smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382526 837651360 /nfs/dbraw/zinc/65/13/60/837651360.db2.gz DOGFRFDPAACNDA-JZXOWHBKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](CCC3CC3)CC2)CC[N@@H+]1C ZINC001070964558 837705746 /nfs/dbraw/zinc/70/57/46/837705746.db2.gz PDCOPZPTIYBLIW-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC001070967015 837706082 /nfs/dbraw/zinc/70/60/82/837706082.db2.gz XPJYCBMAMJLIJY-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001100344845 844051519 /nfs/dbraw/zinc/05/15/19/844051519.db2.gz HLXXBXLIFBJBHA-SSHXOBKSSA-N 2 0 359.536 0.636 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267761 844126149 /nfs/dbraw/zinc/12/61/49/844126149.db2.gz RFWRAJPQKMCKDN-SUMDDJOVSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101277347 844130747 /nfs/dbraw/zinc/13/07/47/844130747.db2.gz CZZHXZSRRCYOAX-MDZRGWNJSA-N 2 0 352.523 0.879 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277724 844131171 /nfs/dbraw/zinc/13/11/71/844131171.db2.gz VRLQAMNJPBZKKZ-MDZRGWNJSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313993 844143324 /nfs/dbraw/zinc/14/33/24/844143324.db2.gz RQIHHVNTVPXSEE-RKVPGOIHSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101350003 844155211 /nfs/dbraw/zinc/15/52/11/844155211.db2.gz PWURRZWVAMEFKO-APWZRJJASA-N 2 0 350.507 0.633 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368784 844162820 /nfs/dbraw/zinc/16/28/20/844162820.db2.gz NEHXFHYDRTXDRW-BEFAXECRSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363834 844159726 /nfs/dbraw/zinc/15/97/26/844159726.db2.gz BTLZTVQCTUKYTK-FCEWJHQRSA-N 2 0 350.507 0.633 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368827 844163705 /nfs/dbraw/zinc/16/37/05/844163705.db2.gz PKLFGGBXLPDFIE-APWZRJJASA-N 2 0 355.523 0.754 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382339 844166835 /nfs/dbraw/zinc/16/68/35/844166835.db2.gz CAZLQJCSTKEUKJ-AOIWGVFYSA-N 2 0 353.507 0.506 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101443965 844188583 /nfs/dbraw/zinc/18/85/83/844188583.db2.gz RMWYPNJKAGKLLS-APWZRJJASA-N 2 0 352.523 0.881 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061862228 836719313 /nfs/dbraw/zinc/71/93/13/836719313.db2.gz RCEKXBLLZKEWMC-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474275 844198866 /nfs/dbraw/zinc/19/88/66/844198866.db2.gz QQKCVHZGGKCPTL-MDZRGWNJSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC2)CC[NH+]1C ZINC001064548742 836797906 /nfs/dbraw/zinc/79/79/06/836797906.db2.gz FGMZEDHOZZCGEH-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569514 838017417 /nfs/dbraw/zinc/01/74/17/838017417.db2.gz ZGSVBTWFSKCSTF-HRCADAONSA-N 2 0 364.515 0.703 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001102015320 844373047 /nfs/dbraw/zinc/37/30/47/844373047.db2.gz DHSLFWLUCFSDQN-BZUAXINKSA-N 2 0 358.502 0.875 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554124 839030286 /nfs/dbraw/zinc/03/02/86/839030286.db2.gz ZAXSLCTWIFMGKM-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102040488 844392083 /nfs/dbraw/zinc/39/20/83/844392083.db2.gz LLQHTYMSJVSURO-FGTMMUONSA-N 2 0 355.523 0.657 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047390 844393836 /nfs/dbraw/zinc/39/38/36/844393836.db2.gz FRKFHEMDSGGBGJ-KYJSFNMBSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047535 844393962 /nfs/dbraw/zinc/39/39/62/844393962.db2.gz KOEZLLSZXVAAEA-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045945 844394571 /nfs/dbraw/zinc/39/45/71/844394571.db2.gz DHSAQBAFWWCJEC-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102048945 844395602 /nfs/dbraw/zinc/39/56/02/844395602.db2.gz WBXMUAPGYBZSTD-HUUCEWRRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048452 844396184 /nfs/dbraw/zinc/39/61/84/844396184.db2.gz CDKJKTHBWKYILK-BMFZPTHFSA-N 2 0 351.495 0.036 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059577 844399794 /nfs/dbraw/zinc/39/97/94/844399794.db2.gz VWUCHVUUMLRHCH-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001078012245 839291501 /nfs/dbraw/zinc/29/15/01/839291501.db2.gz YPWNVNRMYVPNMI-ZACQAIPSSA-N 2 0 351.491 0.449 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190502 844439983 /nfs/dbraw/zinc/43/99/83/844439983.db2.gz ASLJIRWSRFKCPQ-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001079859802 839612531 /nfs/dbraw/zinc/61/25/31/839612531.db2.gz KYJPJSVDLCUQTD-GDBMZVCRSA-N 2 0 350.507 0.728 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285510 844458190 /nfs/dbraw/zinc/45/81/90/844458190.db2.gz UHLDAYMOFZAHOI-FVQBIDKESA-N 2 0 353.463 0.646 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287335 844458773 /nfs/dbraw/zinc/45/87/73/844458773.db2.gz ZFYPJUMWJQVCME-HUUCEWRRSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294216 844459967 /nfs/dbraw/zinc/45/99/67/844459967.db2.gz OTLGRXHRVGDTHU-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312536 844464849 /nfs/dbraw/zinc/46/48/49/844464849.db2.gz BPNMOUGMSCKSRY-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102315800 844466492 /nfs/dbraw/zinc/46/64/92/844466492.db2.gz DIGFONVQUBANIA-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001080593071 839755357 /nfs/dbraw/zinc/75/53/57/839755357.db2.gz HRUGAHHIEVREHQ-HYVNUMGLSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783515 839798670 /nfs/dbraw/zinc/79/86/70/839798670.db2.gz UWMKUCRAAGQYNK-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102377159 844480562 /nfs/dbraw/zinc/48/05/62/844480562.db2.gz RANIBVDDQWBFRX-OAGGEKHMSA-N 2 0 352.523 0.879 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894061 840090407 /nfs/dbraw/zinc/09/04/07/840090407.db2.gz JVKBCSOVZFPMNR-BRWVUGGUSA-N 2 0 351.491 0.999 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894970 840091832 /nfs/dbraw/zinc/09/18/32/840091832.db2.gz LSVJOGISZRAING-GVDBMIGSSA-N 2 0 351.491 0.857 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135069 840204252 /nfs/dbraw/zinc/20/42/52/840204252.db2.gz NMXCLKFHMIPMGY-CGTJXYLNSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001082347059 840330566 /nfs/dbraw/zinc/33/05/66/840330566.db2.gz OIZWXXXOZVNVBR-LMMKCTJWSA-N 2 0 351.491 0.714 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102492808 844528510 /nfs/dbraw/zinc/52/85/10/844528510.db2.gz HNAOYLUIRVMPPR-KBAYOESNSA-N 2 0 355.523 0.798 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368795 840355460 /nfs/dbraw/zinc/35/54/60/840355460.db2.gz NHGLZHQNUKZQKI-RBSFLKMASA-N 2 0 352.504 0.761 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102497413 844530902 /nfs/dbraw/zinc/53/09/02/844530902.db2.gz RWFLJFUPRUTNPK-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082448064 840415433 /nfs/dbraw/zinc/41/54/33/840415433.db2.gz BVNQODSDDHKHKR-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082507367 840442139 /nfs/dbraw/zinc/44/21/39/840442139.db2.gz NYRIVQGSDQARPE-BZUAXINKSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082595385 840482116 /nfs/dbraw/zinc/48/21/16/840482116.db2.gz JYWJCIZKFFNUMM-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513496 844544482 /nfs/dbraw/zinc/54/44/82/844544482.db2.gz MZHAMIDKJYISBU-MCIONIFRSA-N 2 0 369.428 0.562 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513753 844544969 /nfs/dbraw/zinc/54/49/69/844544969.db2.gz ADRRJCLXSLEHRH-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514560 844546234 /nfs/dbraw/zinc/54/62/34/844546234.db2.gz BGCPSFDELZHXTC-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514039 844546478 /nfs/dbraw/zinc/54/64/78/844546478.db2.gz KLBNUOWPNRQPMI-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082681663 840521469 /nfs/dbraw/zinc/52/14/69/840521469.db2.gz KCKANSXUOGLPFY-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082681578 840521541 /nfs/dbraw/zinc/52/15/41/840521541.db2.gz CCTRGLLKNAYPBA-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082724745 840538266 /nfs/dbraw/zinc/53/82/66/840538266.db2.gz GIGQQSBTRAAQBE-KBRIMQKVSA-N 2 0 350.511 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082743401 840543588 /nfs/dbraw/zinc/54/35/88/840543588.db2.gz YNKHUTVRVSATKP-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082743711 840544873 /nfs/dbraw/zinc/54/48/73/840544873.db2.gz WVUFFQHIQBJCNC-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)C1=O ZINC001082822233 840574631 /nfs/dbraw/zinc/57/46/31/840574631.db2.gz SJMNWMWMKRIGES-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001082828874 840577013 /nfs/dbraw/zinc/57/70/13/840577013.db2.gz NMAVOIGWAKSRGD-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082863172 840588411 /nfs/dbraw/zinc/58/84/11/840588411.db2.gz QFEJMNLCTYCILP-GDBMZVCRSA-N 2 0 369.531 0.344 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082921944 840603258 /nfs/dbraw/zinc/60/32/58/840603258.db2.gz YFNIIDIPAJVOGE-OWCLPIDISA-N 2 0 357.520 0.344 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]21 ZINC001083024703 840661014 /nfs/dbraw/zinc/66/10/14/840661014.db2.gz WWSKRDJJRGMKNW-OKZBNKHCSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235272 840818703 /nfs/dbraw/zinc/81/87/03/840818703.db2.gz VPSKOEPBTMTBFT-HYVNUMGLSA-N 2 0 357.470 0.757 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600387 844591712 /nfs/dbraw/zinc/59/17/12/844591712.db2.gz CPGFZZGPOGPYSO-NVXWUHKLSA-N 2 0 356.511 0.163 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083669202 841293069 /nfs/dbraw/zinc/29/30/69/841293069.db2.gz XYHAGHHJVXKEQG-FGTMMUONSA-N 2 0 351.491 0.449 20 0 FCADRP CC(=O)[C@H](C)N1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833367 861218485 /nfs/dbraw/zinc/21/84/85/861218485.db2.gz CIULDASTJJPPSJ-HNAYVOBHSA-N 2 0 351.491 0.999 20 0 FCADRP CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001275877488 861241021 /nfs/dbraw/zinc/24/10/21/861241021.db2.gz CFNNKGHLLKRJCU-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001275893439 861251074 /nfs/dbraw/zinc/25/10/74/861251074.db2.gz YMNYYDFDMOXLIM-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1)[NH+](C)C ZINC001084970406 841972585 /nfs/dbraw/zinc/97/25/85/841972585.db2.gz DOOWOUTVQOONFR-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001084971089 841973926 /nfs/dbraw/zinc/97/39/26/841973926.db2.gz MASZHFODGPCKQI-SJORKVTESA-N 2 0 353.507 0.650 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC001275941183 861263031 /nfs/dbraw/zinc/26/30/31/861263031.db2.gz GRXPOGIHJJVOBA-UHFFFAOYSA-N 2 0 350.507 0.872 20 0 FCADRP CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001085319644 842076065 /nfs/dbraw/zinc/07/60/65/842076065.db2.gz IFHBRGUHPMKZAK-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090053 842119491 /nfs/dbraw/zinc/11/94/91/842119491.db2.gz FBJRHIKECXHBOL-BPKGMFCQSA-N 2 0 371.547 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001086089479 842119736 /nfs/dbraw/zinc/11/97/36/842119736.db2.gz BCUKMQZWOZIZBW-VVLHAWIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086370898 842128620 /nfs/dbraw/zinc/12/86/20/842128620.db2.gz FBJRHIKECXHBOL-WRQOLXDDSA-N 2 0 371.547 0.636 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086734167 842161813 /nfs/dbraw/zinc/16/18/13/842161813.db2.gz VYIGUBMYSDRKGL-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086734934 842162326 /nfs/dbraw/zinc/16/23/26/842162326.db2.gz ZHDWXJWZOQTIII-ARFHVFGLSA-N 2 0 351.495 0.370 20 0 FCADRP CN1CCC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001086793626 842174938 /nfs/dbraw/zinc/17/49/38/842174938.db2.gz DEADHUNXBIIFIR-USXIJHARSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001086850029 842183017 /nfs/dbraw/zinc/18/30/17/842183017.db2.gz MSXMRNUOOKZCGG-UKPHBRMFSA-N 2 0 350.507 0.857 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086882666 842191301 /nfs/dbraw/zinc/19/13/01/842191301.db2.gz DZPGCKPYNPCECD-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087084664 842277829 /nfs/dbraw/zinc/27/78/29/842277829.db2.gz NIQOAWVGLBFZCO-VNQPRFMTSA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087096387 842287087 /nfs/dbraw/zinc/28/70/87/842287087.db2.gz KPPZDZXNGISGAB-SQWLQELKSA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087100269 842289677 /nfs/dbraw/zinc/28/96/77/842289677.db2.gz MRQWFIDTKVWQNU-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087222716 842321377 /nfs/dbraw/zinc/32/13/77/842321377.db2.gz PJNHPBCCQHERKV-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087712235 842413052 /nfs/dbraw/zinc/41/30/52/842413052.db2.gz WKZAMZNXCZDTPR-HYVNUMGLSA-N 2 0 371.547 0.732 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001088166952 842549669 /nfs/dbraw/zinc/54/96/69/842549669.db2.gz ZSNKJVASPQDXNV-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942075 842775533 /nfs/dbraw/zinc/77/55/33/842775533.db2.gz POXGTWMEKCGANG-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721205 843081661 /nfs/dbraw/zinc/08/16/61/843081661.db2.gz WCTRMZKHDYMFNS-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015124 843141375 /nfs/dbraw/zinc/14/13/75/843141375.db2.gz JTCBHUFKKVAWOR-CLCXKQKWSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071907 843153062 /nfs/dbraw/zinc/15/30/62/843153062.db2.gz JJACOLPCVWALPB-MDZRGWNJSA-N 2 0 350.507 0.763 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721017 843285317 /nfs/dbraw/zinc/28/53/17/843285317.db2.gz DNGGXEWFYZCSAP-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1C ZINC001092758613 843294286 /nfs/dbraw/zinc/29/42/86/843294286.db2.gz XCRVYDKZIMYZLQ-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306874 861403426 /nfs/dbraw/zinc/40/34/26/861403426.db2.gz GGHVYLNKSCTVDK-HKUYNNGSSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092910069 843338886 /nfs/dbraw/zinc/33/88/86/843338886.db2.gz QZHKLFRYIONCDH-FXUDXRNXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120107 843393182 /nfs/dbraw/zinc/39/31/82/843393182.db2.gz BNXQPAGFKZEEAH-CKEIUWERSA-N 2 0 350.507 0.666 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001093673783 843454399 /nfs/dbraw/zinc/45/43/99/843454399.db2.gz XYAYGLLZCKYDKH-OIISXLGYSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093803821 843471490 /nfs/dbraw/zinc/47/14/90/843471490.db2.gz QEZAKDFFJMIUOG-BPLDGKMQSA-N 2 0 364.515 0.996 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093961295 843496348 /nfs/dbraw/zinc/49/63/48/843496348.db2.gz YCJMPHZEUFUNPY-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099223184 843978426 /nfs/dbraw/zinc/97/84/26/843978426.db2.gz ICABBQOHLRPZSI-MCIONIFRSA-N 2 0 359.396 0.956 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780753 844646506 /nfs/dbraw/zinc/64/65/06/844646506.db2.gz MSTSPOORXGZLTK-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090160 844698488 /nfs/dbraw/zinc/69/84/88/844698488.db2.gz MZFWCSJVZWNYIQ-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C)[NH+](C)C ZINC001103111559 844702356 /nfs/dbraw/zinc/70/23/56/844702356.db2.gz BDQJVDFCNXPOBH-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+](C)C ZINC001103111974 844702729 /nfs/dbraw/zinc/70/27/29/844702729.db2.gz YFJWPZWFANWKLC-RKVPGOIHSA-N 2 0 352.523 0.925 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268051 844728998 /nfs/dbraw/zinc/72/89/98/844728998.db2.gz OYCMXRUEGLASOU-KYJSFNMBSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374235 844744339 /nfs/dbraw/zinc/74/43/39/844744339.db2.gz ATUKSWLMBNRBSE-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374594 844744907 /nfs/dbraw/zinc/74/49/07/844744907.db2.gz KGIZYUIVLMMMDN-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395988 844751379 /nfs/dbraw/zinc/75/13/79/844751379.db2.gz XHYJIVMHSADHDN-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436382 844757360 /nfs/dbraw/zinc/75/73/60/844757360.db2.gz VWPZVEWTUKWMLK-GVDBMIGSSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436251 844757754 /nfs/dbraw/zinc/75/77/54/844757754.db2.gz QHPFOGVGCUUUKQ-ARFHVFGLSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCCN1CCOC[C@@]2(CC(=O)N(CC3CCOCC3)C2)C1 ZINC001276608339 861496086 /nfs/dbraw/zinc/49/60/86/861496086.db2.gz CHOSGJMRGJAYBY-IBGZPJMESA-N 2 0 353.507 0.916 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642201 844793892 /nfs/dbraw/zinc/79/38/92/844793892.db2.gz UKDJLQSCZBKSSB-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646937 844794737 /nfs/dbraw/zinc/79/47/37/844794737.db2.gz MYGIMXHRDURYSE-HUUCEWRRSA-N 2 0 357.520 0.201 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103663778 844797365 /nfs/dbraw/zinc/79/73/65/844797365.db2.gz UFGTYJDJSOSSNN-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755700 844816676 /nfs/dbraw/zinc/81/66/76/844816676.db2.gz NVOUCELFFWANGM-NUJGCVRESA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001103999787 844852245 /nfs/dbraw/zinc/85/22/45/844852245.db2.gz LDJASSAWNQIAPZ-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001104639196 844927725 /nfs/dbraw/zinc/92/77/25/844927725.db2.gz KNOAVFFLYMBNKP-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001104623886 844927798 /nfs/dbraw/zinc/92/77/98/844927798.db2.gz JBGJDOJTPBLLLC-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104676644 844932138 /nfs/dbraw/zinc/93/21/38/844932138.db2.gz SHHQUBCQIGWEDE-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679691 844932747 /nfs/dbraw/zinc/93/27/47/844932747.db2.gz MRPWUCIUWULFNT-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104682827 844932787 /nfs/dbraw/zinc/93/27/87/844932787.db2.gz ARXIGUGJTRXGAH-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001104782383 844941472 /nfs/dbraw/zinc/94/14/72/844941472.db2.gz YEWHLRVDVFIAFY-OWCLPIDISA-N 2 0 351.495 0.513 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104914051 844959629 /nfs/dbraw/zinc/95/96/29/844959629.db2.gz RXPVOEPITNODTO-HZPDHXFCSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010279 844968676 /nfs/dbraw/zinc/96/86/76/844968676.db2.gz FWCRRDLUSXVIGC-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001105010302 844968891 /nfs/dbraw/zinc/96/88/91/844968891.db2.gz GPRBNVDGIPSMSB-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058317 844974822 /nfs/dbraw/zinc/97/48/22/844974822.db2.gz AXSHUKUARDHLIF-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001105064242 844977335 /nfs/dbraw/zinc/97/73/35/844977335.db2.gz FOTPGZHJYAJMIL-KFWWJZLASA-N 2 0 352.479 0.206 20 0 FCADRP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658474 845010532 /nfs/dbraw/zinc/01/05/32/845010532.db2.gz HFLMAKLWSRFPLY-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666660 845013932 /nfs/dbraw/zinc/01/39/32/845013932.db2.gz HRKKGPRNWYDFJF-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105669564 845015688 /nfs/dbraw/zinc/01/56/88/845015688.db2.gz SOEPEWDRPINIFC-ZAWLATJESA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001105945114 845065009 /nfs/dbraw/zinc/06/50/09/845065009.db2.gz LGXARUMHQFTZHJ-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106246242 845141770 /nfs/dbraw/zinc/14/17/70/845141770.db2.gz KBQVSSFYCLPCQA-HUUCEWRRSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106591611 845201232 /nfs/dbraw/zinc/20/12/32/845201232.db2.gz GNEDRBIFMVKXPJ-GDBMZVCRSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621311 845207301 /nfs/dbraw/zinc/20/73/01/845207301.db2.gz DLLBKHGTJRGBCQ-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106622877 845207348 /nfs/dbraw/zinc/20/73/48/845207348.db2.gz VCVDTDYYHMDUED-CHWSQXEVSA-N 2 0 353.492 0.717 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106663266 845217676 /nfs/dbraw/zinc/21/76/76/845217676.db2.gz YWGWRLLUYCSNEF-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668795 845220533 /nfs/dbraw/zinc/22/05/33/845220533.db2.gz PNVDERYSVDVONM-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106673426 845222024 /nfs/dbraw/zinc/22/20/24/845222024.db2.gz YQHXCZYSHSTUIE-HZPDHXFCSA-N 2 0 350.511 0.940 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106729588 845235871 /nfs/dbraw/zinc/23/58/71/845235871.db2.gz UCZYEIIZAFDRHT-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001106779339 845250991 /nfs/dbraw/zinc/25/09/91/845250991.db2.gz JSMXMFLWRSPOKG-HUUCEWRRSA-N 2 0 354.474 0.774 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106839403 845266027 /nfs/dbraw/zinc/26/60/27/845266027.db2.gz GPJBNOXHOMWMPI-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C)C(N)=O ZINC001106860090 845272603 /nfs/dbraw/zinc/27/26/03/845272603.db2.gz IOZNUUKEXUUCHQ-CKEIUWERSA-N 2 0 350.507 0.666 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106874664 845276379 /nfs/dbraw/zinc/27/63/79/845276379.db2.gz ORVNIQKBDMVLRS-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106880440 845276928 /nfs/dbraw/zinc/27/69/28/845276928.db2.gz JMTBPXVAYCRZBS-UMVBOHGHSA-N 2 0 353.467 0.701 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106882612 845278251 /nfs/dbraw/zinc/27/82/51/845278251.db2.gz XSSAXJUMPVKJIS-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP CCCC[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106881568 845278266 /nfs/dbraw/zinc/27/82/66/845278266.db2.gz FSKDJFGQWBQDCI-OAGGEKHMSA-N 2 0 356.511 0.293 20 0 FCADRP Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106882638 845278825 /nfs/dbraw/zinc/27/88/25/845278825.db2.gz ZALCVOHNYSTZFN-VNHYZAJKSA-N 2 0 353.467 0.701 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106905324 845283082 /nfs/dbraw/zinc/28/30/82/845283082.db2.gz KFDJNXDMKVIMJI-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106905284 845283223 /nfs/dbraw/zinc/28/32/23/845283223.db2.gz ITOXVMRWBHEBOR-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1 ZINC001106905718 845283343 /nfs/dbraw/zinc/28/33/43/845283343.db2.gz FFNFVMWCPOKVGZ-HUUCEWRRSA-N 2 0 350.511 0.903 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106906148 845285099 /nfs/dbraw/zinc/28/50/99/845285099.db2.gz ZNHXWAKIWNKKED-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106981494 845299647 /nfs/dbraw/zinc/29/96/47/845299647.db2.gz QNOBTYTVGGDCCZ-OWCLPIDISA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106982991 845299680 /nfs/dbraw/zinc/29/96/80/845299680.db2.gz RGVLTTLLIIYRIC-JHJVBQTASA-N 2 0 364.412 0.301 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106982667 845299998 /nfs/dbraw/zinc/29/99/98/845299998.db2.gz NNTVREJYCWFNKI-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001107042475 845318233 /nfs/dbraw/zinc/31/82/33/845318233.db2.gz NVJKEZJTSDKOKH-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001109447130 845656944 /nfs/dbraw/zinc/65/69/44/845656944.db2.gz BAZVKFKNSIKDAC-TWMKSMIVSA-N 2 0 354.495 0.201 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109928108 845761688 /nfs/dbraw/zinc/76/16/88/845761688.db2.gz HLNVPLQGNOPJFI-ILXRZTDVSA-N 2 0 350.463 0.199 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001109932864 845763053 /nfs/dbraw/zinc/76/30/53/845763053.db2.gz WQQPJKADWCCMBU-QZWWFDLISA-N 2 0 357.495 0.074 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001110017890 845776758 /nfs/dbraw/zinc/77/67/58/845776758.db2.gz RJEJBICWZZOMQW-PMPSAXMXSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F ZINC001111277565 846075923 /nfs/dbraw/zinc/07/59/23/846075923.db2.gz XVDRPMMEHXIDFG-RQJABVFESA-N 2 0 367.412 0.599 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753225 846191575 /nfs/dbraw/zinc/19/15/75/846191575.db2.gz KIIGHOOILPSRRU-NTDBWNAOSA-N 2 0 353.507 0.960 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782820 846204154 /nfs/dbraw/zinc/20/41/54/846204154.db2.gz ZMQKRAZQFOAUSR-BXWFABGCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855540 846231436 /nfs/dbraw/zinc/23/14/36/846231436.db2.gz ABYINQWOFPULEJ-DOXZYTNZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCN(C)C1=O)C2 ZINC001111927045 846263787 /nfs/dbraw/zinc/26/37/87/846263787.db2.gz WERLPWZVYBDXPF-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111927046 846263918 /nfs/dbraw/zinc/26/39/18/846263918.db2.gz WERLPWZVYBDXPF-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112117856 846395544 /nfs/dbraw/zinc/39/55/44/846395544.db2.gz GGKFOCQYVMJQKJ-DGAVXFQQSA-N 2 0 369.428 0.559 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112122656 846401056 /nfs/dbraw/zinc/40/10/56/846401056.db2.gz ZKUHEGCIMQWRAS-MCIONIFRSA-N 2 0 367.412 0.459 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112143159 846415047 /nfs/dbraw/zinc/41/50/47/846415047.db2.gz LJBBNLMUJFGNTJ-UMSGYPCISA-N 2 0 353.385 0.067 20 0 FCADRP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)cn1 ZINC001112158973 846426011 /nfs/dbraw/zinc/42/60/11/846426011.db2.gz IPVWFGJJDIBAMQ-ZIAGYGMSSA-N 2 0 361.412 0.893 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001112167861 846432206 /nfs/dbraw/zinc/43/22/06/846432206.db2.gz JLVOLAQZINTFNR-MGPQQGTHSA-N 2 0 367.412 0.459 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193918 846452886 /nfs/dbraw/zinc/45/28/86/846452886.db2.gz AVHZUIWGZVMCEK-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001112197342 846455853 /nfs/dbraw/zinc/45/58/53/846455853.db2.gz MENYUBBXMCDSAB-FRRDWIJNSA-N 2 0 366.428 0.961 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112284909 846487444 /nfs/dbraw/zinc/48/74/44/846487444.db2.gz DSMMLADPSMXCTI-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112397024 846500928 /nfs/dbraw/zinc/50/09/28/846500928.db2.gz PDRJLHYRWUPOSG-MPGHIAIKSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001112399403 846501034 /nfs/dbraw/zinc/50/10/34/846501034.db2.gz SFYABRTZKWJRBE-IEZWGBDMSA-N 2 0 350.507 0.681 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001112401804 846502093 /nfs/dbraw/zinc/50/20/93/846502093.db2.gz YVJNGAKOLMRBAU-YJBOKZPZSA-N 2 0 371.547 0.734 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524241 846514110 /nfs/dbraw/zinc/51/41/10/846514110.db2.gz CWBUMWJLLFYUEP-FAJBIJEISA-N 2 0 355.523 0.798 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001112531758 846515959 /nfs/dbraw/zinc/51/59/59/846515959.db2.gz PCNRFJRCDMBWQQ-AOIWGVFYSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2)C(N)=O ZINC001112530048 846516189 /nfs/dbraw/zinc/51/61/89/846516189.db2.gz AJCHIBOQWHEDJM-VCBZYWHSSA-N 2 0 350.507 0.810 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529561 846516459 /nfs/dbraw/zinc/51/64/59/846516459.db2.gz GASGRCIASIEUJP-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCOC2)C1 ZINC001112563930 846525348 /nfs/dbraw/zinc/52/53/48/846525348.db2.gz VJIQJLQLZPKCTO-AOIWGVFYSA-N 2 0 353.507 0.819 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578944 846529386 /nfs/dbraw/zinc/52/93/86/846529386.db2.gz OSUSSSXXMHQPOR-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2)C(N)=O ZINC001112585060 846532236 /nfs/dbraw/zinc/53/22/36/846532236.db2.gz XQBXHZWMNPWICE-GJYPPUQNSA-N 2 0 350.507 0.955 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC001118136435 847294227 /nfs/dbraw/zinc/29/42/27/847294227.db2.gz XQSNFSBETWOCKH-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP CO[C@H](C)c1noc(CN2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)n1 ZINC001118289091 847364594 /nfs/dbraw/zinc/36/45/94/847364594.db2.gz SBOMWWWADZNNSV-OAHLLOKOSA-N 2 0 352.483 0.190 20 0 FCADRP CS(=O)(=O)CCN1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC001118387033 847409132 /nfs/dbraw/zinc/40/91/32/847409132.db2.gz LDMDDAGEAJJBCD-SFHVURJKSA-N 2 0 373.563 0.728 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001119239858 847785052 /nfs/dbraw/zinc/78/50/52/847785052.db2.gz OFCDWEXPQJAEDH-CMPLNLGQSA-N 2 0 354.405 0.964 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119403653 847834856 /nfs/dbraw/zinc/83/48/56/847834856.db2.gz MUBCYRJQQWOTLT-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001120602488 848250983 /nfs/dbraw/zinc/25/09/83/848250983.db2.gz HTDZMNFPIZPMBG-DLBZAZTESA-N 2 0 353.438 0.628 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001120614666 848254507 /nfs/dbraw/zinc/25/45/07/848254507.db2.gz BSIDZVHZDRZZCM-UHFFFAOYSA-N 2 0 353.507 0.794 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121928365 848419806 /nfs/dbraw/zinc/41/98/06/848419806.db2.gz NVYCOPKOKRUYCS-HNNXBMFYSA-N 2 0 351.495 0.275 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001122067970 848443629 /nfs/dbraw/zinc/44/36/29/848443629.db2.gz NIUWEODBEYTLGX-CQSZACIVSA-N 2 0 352.504 0.990 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCOCC2CC2)CC1 ZINC001127570691 848725340 /nfs/dbraw/zinc/72/53/40/848725340.db2.gz CJOXDACGPSWQDI-MSOLQXFVSA-N 2 0 353.507 0.866 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nnc(C)s2)CC[N@@H+]1C ZINC001127695569 848733465 /nfs/dbraw/zinc/73/34/65/848733465.db2.gz QHMMHFRCTKQLCC-NWDGAFQWSA-N 2 0 354.480 0.221 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263064 848823128 /nfs/dbraw/zinc/82/31/28/848823128.db2.gz ZRDMXJRDENAJOD-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894630 848909488 /nfs/dbraw/zinc/90/94/88/848909488.db2.gz LURPQMWHPIXDEE-KFWWJZLASA-N 2 0 352.458 0.852 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894589 848909885 /nfs/dbraw/zinc/90/98/85/848909885.db2.gz KKPIDFHCCYOLLT-ZVSVUTOMSA-N 2 0 352.870 0.856 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129900059 848911850 /nfs/dbraw/zinc/91/18/50/848911850.db2.gz YUNRVCHCGGQDSG-PFTUTDBESA-N 2 0 354.886 0.958 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910264 848913495 /nfs/dbraw/zinc/91/34/95/848913495.db2.gz LFHKDQJXAHBQCP-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954670 848921474 /nfs/dbraw/zinc/92/14/74/848921474.db2.gz YZUDTELZDXYPEG-CABCVRRESA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1)OC ZINC001129984966 848927175 /nfs/dbraw/zinc/92/71/75/848927175.db2.gz LFFOVYWVHRUVFH-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130005840 848929837 /nfs/dbraw/zinc/92/98/37/848929837.db2.gz IZDSVDQLHYSTCR-PMPSAXMXSA-N 2 0 352.483 0.386 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086287 848942355 /nfs/dbraw/zinc/94/23/55/848942355.db2.gz UGOPKTCZWMMGGS-MDQLWMCGSA-N 2 0 352.870 0.714 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251488 848989360 /nfs/dbraw/zinc/98/93/60/848989360.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 2 0 352.483 0.633 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001130717822 849029021 /nfs/dbraw/zinc/02/90/21/849029021.db2.gz SSFUNBNJUXXQMH-HLLBOEOZSA-N 2 0 351.495 0.417 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737004 849030719 /nfs/dbraw/zinc/03/07/19/849030719.db2.gz UELMHYSFBNEIJB-YQQAZPJKSA-N 2 0 351.495 0.679 20 0 FCADRP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130804219 849045954 /nfs/dbraw/zinc/04/59/54/849045954.db2.gz ABWLOEXFPRBHAB-QWHCGFSZSA-N 2 0 356.446 0.542 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1 ZINC001130817579 849048705 /nfs/dbraw/zinc/04/87/05/849048705.db2.gz UHTKDYSLDNCBFQ-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001131020083 849071567 /nfs/dbraw/zinc/07/15/67/849071567.db2.gz KLDRECZBZZMWBQ-RRFJBIMHSA-N 2 0 351.495 0.415 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131071925 849076622 /nfs/dbraw/zinc/07/66/22/849076622.db2.gz DFGPUMHSYJDFEW-OAGGEKHMSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316701 849096476 /nfs/dbraw/zinc/09/64/76/849096476.db2.gz SGOFBYQNFGQBJX-XHSDSOJGSA-N 2 0 352.479 0.844 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131510413 849114796 /nfs/dbraw/zinc/11/47/96/849114796.db2.gz HJLFNENTAWLKOU-ZACQAIPSSA-N 2 0 359.486 0.644 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CC1 ZINC001131516991 849117154 /nfs/dbraw/zinc/11/71/54/849117154.db2.gz FAJGHBGFMVXWLQ-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131550174 849122227 /nfs/dbraw/zinc/12/22/27/849122227.db2.gz MOUWXNVDEINAKX-UAGQMJEPSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131562405 849123626 /nfs/dbraw/zinc/12/36/26/849123626.db2.gz RNTUGFWIFVVUMD-SUMDDJOVSA-N 2 0 353.507 0.696 20 0 FCADRP CN1CCN(c2ncc(CN(CC[NH+](C)C)CC[NH+](C)C)s2)CC1 ZINC001139324997 849337147 /nfs/dbraw/zinc/33/71/47/849337147.db2.gz XLYBJPPFNNAFOL-UHFFFAOYSA-N 2 0 354.568 0.820 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001142680757 849457873 /nfs/dbraw/zinc/45/78/73/849457873.db2.gz DFUSRFRTINALEZ-NBFUAULTSA-N 2 0 357.495 0.692 20 0 FCADRP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C1CCCC1 ZINC001154888758 849818909 /nfs/dbraw/zinc/81/89/09/849818909.db2.gz GMRPOCJXUNAOOO-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001155226793 849839823 /nfs/dbraw/zinc/83/98/23/849839823.db2.gz DSQXQUVDSZVEFQ-AWEZNQCLSA-N 2 0 350.467 0.429 20 0 FCADRP CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cncc(N2CC[NH2+]CC2)n1 ZINC001156489482 849911751 /nfs/dbraw/zinc/91/17/51/849911751.db2.gz RZHLINALLJOXAQ-UHFFFAOYSA-N 2 0 362.459 0.443 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591051 849916615 /nfs/dbraw/zinc/91/66/15/849916615.db2.gz SAWVTHHCLYIYJC-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC001157323609 849963511 /nfs/dbraw/zinc/96/35/11/849963511.db2.gz LDLFROCDXGCWSC-KBMXLJTQSA-N 2 0 350.463 0.279 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCOCc1ccccc1 ZINC001157323213 849963574 /nfs/dbraw/zinc/96/35/74/849963574.db2.gz DQGRCXIRTUHQDO-HOTGVXAUSA-N 2 0 350.463 0.280 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ncccc3S(N)(=O)=O)CC2)CC1 ZINC001157835504 849997653 /nfs/dbraw/zinc/99/76/53/849997653.db2.gz CZBLIKVLESFTJU-UHFFFAOYSA-N 2 0 353.492 0.193 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071234 850015825 /nfs/dbraw/zinc/01/58/25/850015825.db2.gz YKKXVSBYDRUKJK-AWEZNQCLSA-N 2 0 355.479 0.807 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)Cc1ccccc1Cl ZINC001158091471 850018166 /nfs/dbraw/zinc/01/81/66/850018166.db2.gz CWEINDGMVSCVCY-CXAGYDPISA-N 2 0 350.850 0.290 20 0 FCADRP O=C(N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158241301 850028484 /nfs/dbraw/zinc/02/84/84/850028484.db2.gz UDLVSROQIHWRTI-XJKCOSOUSA-N 3 0 360.424 0.861 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158336944 850037041 /nfs/dbraw/zinc/03/70/41/850037041.db2.gz FKCRFHPPUHMWKP-MELADBBJSA-N 2 0 355.483 0.047 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])C(C)C)C2 ZINC001158383033 850043589 /nfs/dbraw/zinc/04/35/89/850043589.db2.gz LOFPSGVVAZKBOS-LERXQTSPSA-N 2 0 351.369 0.513 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@]1(C)CC[NH2+]C1)C2 ZINC001158384497 850044301 /nfs/dbraw/zinc/04/43/01/850044301.db2.gz WNXASAMIYPMTQO-ZNMIVQPWSA-N 2 0 363.380 0.530 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCNS(=O)(=O)CC)CC[N@@H+]1C ZINC001158404090 850048069 /nfs/dbraw/zinc/04/80/69/850048069.db2.gz QIKILEZBIRFBPF-LSDHHAIUSA-N 2 0 362.540 0.142 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428528 850048866 /nfs/dbraw/zinc/04/88/66/850048866.db2.gz HZUUUAIPGWTULA-JHJVBQTASA-N 2 0 353.492 0.906 20 0 FCADRP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C[C@H]2CF)CC1 ZINC001158578198 850061765 /nfs/dbraw/zinc/06/17/65/850061765.db2.gz KUHIXMDSIASUGB-QPSCCSFWSA-N 2 0 352.454 0.265 20 0 FCADRP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160565 850098124 /nfs/dbraw/zinc/09/81/24/850098124.db2.gz LMEBJNOFSCOCNU-CLCXKQKWSA-N 2 0 350.507 0.476 20 0 FCADRP [NH3+]Cc1cnccc1Nc1ncc(Br)nc1N1CC[NH2+]CC1 ZINC001159197864 850101100 /nfs/dbraw/zinc/10/11/00/850101100.db2.gz KVBANMLAFMDNEI-UHFFFAOYSA-N 2 0 364.251 0.668 20 0 FCADRP Nc1ncn(C2=CCC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159398336 850111182 /nfs/dbraw/zinc/11/11/82/850111182.db2.gz WPABWROBOFBZER-DGCLKSJQSA-N 2 0 352.870 0.214 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159907511 850144087 /nfs/dbraw/zinc/14/40/87/850144087.db2.gz FNKMLPHHTUKWBY-CKEIUWERSA-N 2 0 368.503 0.604 20 0 FCADRP CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001160270580 850163732 /nfs/dbraw/zinc/16/37/32/850163732.db2.gz FHENBWNHFZSCMR-HNNXBMFYSA-N 2 0 354.495 0.048 20 0 FCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)C1 ZINC001160388577 850170460 /nfs/dbraw/zinc/17/04/60/850170460.db2.gz LDXLTRMTIGUVRB-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)[C@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1=O ZINC001160427676 850172300 /nfs/dbraw/zinc/17/23/00/850172300.db2.gz LVNYFUISTYGOBP-UONOGXRCSA-N 2 0 351.447 0.231 20 0 FCADRP COCCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC001160441726 850173600 /nfs/dbraw/zinc/17/36/00/850173600.db2.gz WZQCUMSOSCMVJX-AEFFLSMTSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC1 ZINC001160460277 850173777 /nfs/dbraw/zinc/17/37/77/850173777.db2.gz XRPWVEHLHOBHGS-LBPRGKRZSA-N 2 0 352.401 0.621 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611188 850185292 /nfs/dbraw/zinc/18/52/92/850185292.db2.gz SFRIPMQNYISADH-CVEARBPZSA-N 2 0 351.472 0.388 20 0 FCADRP COCCOc1cccc(N2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001160942882 850215590 /nfs/dbraw/zinc/21/55/90/850215590.db2.gz FPPGWRWFLCOXQV-QGZVFWFLSA-N 2 0 350.463 0.427 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC(F)(F)C1 ZINC001160971110 850216330 /nfs/dbraw/zinc/21/63/30/850216330.db2.gz FHTXBJMTDKPWEZ-KEYYUXOJSA-N 2 0 350.413 0.907 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999816 850220224 /nfs/dbraw/zinc/22/02/24/850220224.db2.gz LKHCQRHTBWKIEU-KBPBESRZSA-N 2 0 355.479 0.541 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084048 850227425 /nfs/dbraw/zinc/22/74/25/850227425.db2.gz WLJJVWSOPBRPMO-HNNXBMFYSA-N 2 0 350.467 0.326 20 0 FCADRP CCOC(=O)C1(CC)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161127857 850231413 /nfs/dbraw/zinc/23/14/13/850231413.db2.gz BITLXHIGBDRBEL-HNNXBMFYSA-N 2 0 354.495 0.319 20 0 FCADRP O=C([C@H]1[NH2+]CC[C@H]1O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152668 850234755 /nfs/dbraw/zinc/23/47/55/850234755.db2.gz QMMZVKXLQFTGEV-PWSUYJOCSA-N 2 0 359.352 0.303 20 0 FCADRP [NH3+][C@@H](CC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C1CC1 ZINC001161197497 850239201 /nfs/dbraw/zinc/23/92/01/850239201.db2.gz AURDITXNMFTNSV-SFHVURJKSA-N 2 0 352.523 0.664 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161253476 850245069 /nfs/dbraw/zinc/24/50/69/850245069.db2.gz VYVUCWNKYYCPPL-HNNXBMFYSA-N 2 0 368.478 0.566 20 0 FCADRP COc1cnc(O[C@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2)nc1 ZINC001161298688 850250415 /nfs/dbraw/zinc/25/04/15/850250415.db2.gz PCOLNOPOSGCYAL-ZFWWWQNUSA-N 2 0 351.451 0.524 20 0 FCADRP C[NH2+]CCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161353906 850253258 /nfs/dbraw/zinc/25/32/58/850253258.db2.gz GBJUOLHCQYTCER-UHFFFAOYSA-N 2 0 352.460 0.442 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380337 850255364 /nfs/dbraw/zinc/25/53/64/850255364.db2.gz URFBMXZQSJZSFI-LSDHHAIUSA-N 2 0 354.495 0.460 20 0 FCADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382261 850255479 /nfs/dbraw/zinc/25/54/79/850255479.db2.gz WFAASWRQIBWBGB-KZNAEPCWSA-N 2 0 350.507 0.384 20 0 FCADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161381930 850256011 /nfs/dbraw/zinc/25/60/11/850256011.db2.gz RUZQZUWDTWNPJR-JENIJYKNSA-N 2 0 351.491 0.858 20 0 FCADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161381932 850256040 /nfs/dbraw/zinc/25/60/40/850256040.db2.gz RUZQZUWDTWNPJR-SCTDSRPQSA-N 2 0 351.491 0.858 20 0 FCADRP C[NH+]1CCC(N(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C2CCCC2)CC1 ZINC001161454543 850259610 /nfs/dbraw/zinc/25/96/10/850259610.db2.gz WYXJTOIJUUYJPT-SFHVURJKSA-N 3 0 351.539 0.602 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161547921 850270228 /nfs/dbraw/zinc/27/02/28/850270228.db2.gz OTRZQPRMBMLZKG-OAHLLOKOSA-N 2 0 362.499 0.328 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001162732739 850328515 /nfs/dbraw/zinc/32/85/15/850328515.db2.gz HUAXAAHUYLUXPD-GJZGRUSLSA-N 2 0 351.451 0.760 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001277833368 862120990 /nfs/dbraw/zinc/12/09/90/862120990.db2.gz CUWYMNOZLKHVSG-BRWVUGGUSA-N 2 0 350.463 0.943 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833410 862121464 /nfs/dbraw/zinc/12/14/64/862121464.db2.gz DRGAXZBUOGGLFK-MJGOQNOKSA-N 3 0 354.539 0.708 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N1CC[C@H]([NH3+])C1 ZINC001164279620 850401330 /nfs/dbraw/zinc/40/13/30/850401330.db2.gz SEOWJYSFSIZRRF-HIFRSBDPSA-N 2 0 350.463 0.725 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001164582343 850417212 /nfs/dbraw/zinc/41/72/12/850417212.db2.gz IVUVHUKYSOSZDU-OWCLPIDISA-N 2 0 371.547 0.637 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001165407627 850439829 /nfs/dbraw/zinc/43/98/29/850439829.db2.gz SNYZWAPKHCNHOP-TVYUQYBPSA-N 2 0 351.838 0.506 20 0 FCADRP CN1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC001168737287 850592661 /nfs/dbraw/zinc/59/26/61/850592661.db2.gz RLILFAZINPWXQQ-UHFFFAOYSA-N 2 0 365.503 0.806 20 0 FCADRP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132956 850607864 /nfs/dbraw/zinc/60/78/64/850607864.db2.gz ANQGQABRKOTHKE-ATIFRJIPSA-N 2 0 351.491 0.998 20 0 FCADRP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132959 850607948 /nfs/dbraw/zinc/60/79/48/850607948.db2.gz ANQGQABRKOTHKE-WAXPSYRMSA-N 2 0 351.491 0.998 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170046685 850644372 /nfs/dbraw/zinc/64/43/72/850644372.db2.gz GCOHNWCYXWOZSA-HNNXBMFYSA-N 2 0 354.476 0.117 20 0 FCADRP CN(CC[NH3+])CCNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001170505289 850655203 /nfs/dbraw/zinc/65/52/03/850655203.db2.gz SLQSJGRYMMUFKW-UHFFFAOYSA-N 2 0 355.508 0.019 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001170617016 850660151 /nfs/dbraw/zinc/66/01/51/850660151.db2.gz NAYICTWZCZRLDS-KBPBESRZSA-N 2 0 359.467 0.883 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)O1 ZINC001171691791 850693004 /nfs/dbraw/zinc/69/30/04/850693004.db2.gz VMXYTEAZHKDBOT-KYEXWDHISA-N 2 0 357.451 0.837 20 0 FCADRP CCN1CC[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1=O ZINC001172032797 850702670 /nfs/dbraw/zinc/70/26/70/850702670.db2.gz RWSSVIUAOJKHAS-AWEZNQCLSA-N 2 0 353.463 0.594 20 0 FCADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1C ZINC001178522656 850904405 /nfs/dbraw/zinc/90/44/05/850904405.db2.gz NTZSNTSJHRSIIQ-RRFJBIMHSA-N 2 0 351.499 0.878 20 0 FCADRP C[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001180610244 851052465 /nfs/dbraw/zinc/05/24/65/851052465.db2.gz GKFGWXDLCFZADA-UHFFFAOYSA-N 2 0 350.507 0.908 20 0 FCADRP C[NH+]1CCC(O)(C(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001182036450 851147511 /nfs/dbraw/zinc/14/75/11/851147511.db2.gz SLTJHBPJAFKGID-UHFFFAOYSA-N 2 0 357.252 0.207 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001182693582 851193167 /nfs/dbraw/zinc/19/31/67/851193167.db2.gz XQSFOWMGMLOWEL-IXDOHACOSA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C ZINC001182953208 851211341 /nfs/dbraw/zinc/21/13/41/851211341.db2.gz CYRRBCHCNIZSDG-LBPRGKRZSA-N 2 0 359.471 0.278 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001186037173 851406349 /nfs/dbraw/zinc/40/63/49/851406349.db2.gz FUVHADNLCGZQHN-ZIFCJYIRSA-N 2 0 351.491 0.260 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001188205789 851658646 /nfs/dbraw/zinc/65/86/46/851658646.db2.gz XSXBYTNIDVUBKL-OKZBNKHCSA-N 2 0 353.507 0.791 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188644115 851716354 /nfs/dbraw/zinc/71/63/54/851716354.db2.gz YPGPQHCCDLYCGD-KSZLIROESA-N 2 0 351.491 0.402 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189478394 851793598 /nfs/dbraw/zinc/79/35/98/851793598.db2.gz SCPHPWBDMQQROC-JKSUJKDBSA-N 2 0 353.511 0.569 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189668751 851812466 /nfs/dbraw/zinc/81/24/66/851812466.db2.gz NSMZRPCSRSQUTK-OKZBNKHCSA-N 2 0 355.523 0.894 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001189811361 851827137 /nfs/dbraw/zinc/82/71/37/851827137.db2.gz ZDWQNJOIANBDAG-BFHYXJOUSA-N 2 0 367.412 0.411 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189871826 851833534 /nfs/dbraw/zinc/83/35/34/851833534.db2.gz RRRXQJUNGHLBGF-SOUVJXGZSA-N 2 0 350.463 0.056 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189912689 851840538 /nfs/dbraw/zinc/84/05/38/851840538.db2.gz FNUUUFWEUUTSFH-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189941844 851847610 /nfs/dbraw/zinc/84/76/10/851847610.db2.gz FHHLONDGZKXWFQ-DUVNUKRYSA-N 2 0 368.503 0.474 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278462874 862336977 /nfs/dbraw/zinc/33/69/77/862336977.db2.gz AAWYMFPYIOYCIM-BRWVUGGUSA-N 2 0 350.507 0.097 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193447068 852429130 /nfs/dbraw/zinc/42/91/30/852429130.db2.gz INZLHQZOQTZZTA-BFHYXJOUSA-N 2 0 351.413 0.873 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755533 852482023 /nfs/dbraw/zinc/48/20/23/852482023.db2.gz MROCUGQQDHJBSK-FGTMMUONSA-N 2 0 353.507 0.981 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001194298340 852574360 /nfs/dbraw/zinc/57/43/60/852574360.db2.gz DTNDMEMYHGJSJX-DJIMGWMZSA-N 2 0 353.507 0.837 20 0 FCADRP COc1ncccc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001194695997 852635155 /nfs/dbraw/zinc/63/51/55/852635155.db2.gz OGAXLCIXOFJIMK-UHFFFAOYSA-N 2 0 358.508 0.984 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982754 852687078 /nfs/dbraw/zinc/68/70/78/852687078.db2.gz SAWOYASZMAMOKN-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CO[C@@H](C)COC)CC2)CC1 ZINC001195258811 852732889 /nfs/dbraw/zinc/73/28/89/852732889.db2.gz RZIRZDHBDNAZOE-HKUYNNGSSA-N 2 0 357.539 0.891 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893275 852843532 /nfs/dbraw/zinc/84/35/32/852843532.db2.gz DBFJROZITZMTLF-KZNAEPCWSA-N 2 0 355.523 0.894 20 0 FCADRP Cc1cc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195981212 852860083 /nfs/dbraw/zinc/86/00/83/852860083.db2.gz PGQIBVYNHGQTDA-BRWVUGGUSA-N 2 0 351.495 0.247 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc(OCC2CCOCC2)nc1 ZINC001198937455 853343303 /nfs/dbraw/zinc/34/33/03/853343303.db2.gz ULHXQBOSVMBJCH-UHFFFAOYSA-N 2 0 350.423 0.357 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001199370590 853415027 /nfs/dbraw/zinc/41/50/27/853415027.db2.gz ZPXMHNKZOQYING-KZNAEPCWSA-N 2 0 353.507 0.840 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCCCN1CCOCC1 ZINC001199945754 853466036 /nfs/dbraw/zinc/46/60/36/853466036.db2.gz IYHVDJLIARVOKW-UHFFFAOYSA-N 2 0 373.611 0.789 20 0 FCADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=S)NCC[NH+]2CCCCC2)C1 ZINC001200427222 853496103 /nfs/dbraw/zinc/49/61/03/853496103.db2.gz BBSPMHUCSKEWMD-OAHLLOKOSA-N 2 0 355.552 0.489 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205513215 853619270 /nfs/dbraw/zinc/61/92/70/853619270.db2.gz GMEZSCLAJPQKOV-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F)C(N)=O ZINC001205649512 853626213 /nfs/dbraw/zinc/62/62/13/853626213.db2.gz WWTMXVYROVDMNR-IVMMDQJWSA-N 2 0 350.438 0.535 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H]3CCCOC3)CC2)C1 ZINC001207464257 853817583 /nfs/dbraw/zinc/81/75/83/853817583.db2.gz IMWNSTTUXUJIET-QGZVFWFLSA-N 2 0 353.507 0.916 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](CCC1CC[NH+](C)CC1)C[C@@H]2C(=O)N(C)C ZINC001207488537 853818644 /nfs/dbraw/zinc/81/86/44/853818644.db2.gz MNNKRKKFRDOWEE-QGZVFWFLSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207602815 853829437 /nfs/dbraw/zinc/82/94/37/853829437.db2.gz VQECTIJCYRBFJC-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036706 853884912 /nfs/dbraw/zinc/88/49/12/853884912.db2.gz WCUMHNNTRPLJDG-LDBBTLTOSA-N 2 0 351.491 0.711 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001208070599 853891489 /nfs/dbraw/zinc/89/14/89/853891489.db2.gz NSGITOMRLHPPTA-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074073 853892593 /nfs/dbraw/zinc/89/25/93/853892593.db2.gz OEFNANBZCPEGFE-NXHRZFHOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163949 853901889 /nfs/dbraw/zinc/90/18/89/853901889.db2.gz LILWUALHJZHZPX-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485915 853940791 /nfs/dbraw/zinc/94/07/91/853940791.db2.gz WDVVEDFNYWLPIC-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001208530359 853946666 /nfs/dbraw/zinc/94/66/66/853946666.db2.gz RHJXMQQGFMQTLF-KBRIMQKVSA-N 2 0 350.511 0.918 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001208596145 853957103 /nfs/dbraw/zinc/95/71/03/853957103.db2.gz DCWUYBAOULCSJF-MJGOQNOKSA-N 2 0 353.507 0.772 20 0 FCADRP COCOCCC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001209027052 853991216 /nfs/dbraw/zinc/99/12/16/853991216.db2.gz ZRCOITUUCXSOTQ-UHFFFAOYSA-N 2 0 356.511 0.167 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209149871 854002044 /nfs/dbraw/zinc/00/20/44/854002044.db2.gz IETWNOHLALVXQS-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210033716 854073209 /nfs/dbraw/zinc/07/32/09/854073209.db2.gz XFOHXGKWCAJKPT-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314937 854099565 /nfs/dbraw/zinc/09/95/65/854099565.db2.gz GWRHLNGMMXJPSH-KBAYOESNSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309330 854175762 /nfs/dbraw/zinc/17/57/62/854175762.db2.gz AJAVEBFTDHFALI-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@H]1OC)[NH+](C)C ZINC001213458095 854625240 /nfs/dbraw/zinc/62/52/40/854625240.db2.gz LCRJGCBDLVZLLI-QLFBSQMISA-N 2 0 353.467 0.466 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730113 854739291 /nfs/dbraw/zinc/73/92/91/854739291.db2.gz FFXVEOVHDFKLRT-IAGOWNOFSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214648865 854987293 /nfs/dbraw/zinc/98/72/93/854987293.db2.gz ZOBZCAUEQXEWFI-VNQPRFMTSA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214662233 854988325 /nfs/dbraw/zinc/98/83/25/854988325.db2.gz ZZWJWVXCQAMIQM-MUIFIZLQSA-N 2 0 350.507 0.679 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214780034 855012105 /nfs/dbraw/zinc/01/21/05/855012105.db2.gz IMFIFWXXXPVDNU-OAGGEKHMSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214847899 855022179 /nfs/dbraw/zinc/02/21/79/855022179.db2.gz XLCGQGPXGNTNQC-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214855931 855022977 /nfs/dbraw/zinc/02/29/77/855022977.db2.gz RWIIEILMXINOCP-MZMPZRCHSA-N 2 0 350.507 0.632 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855759 855023709 /nfs/dbraw/zinc/02/37/09/855023709.db2.gz NFIOZHLRGURLIZ-FVQBIDKESA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214861499 855025648 /nfs/dbraw/zinc/02/56/48/855025648.db2.gz UQLVMNWLZLJLIV-RHSMWYFYSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1)[NH+](C)C ZINC001214952720 855038413 /nfs/dbraw/zinc/03/84/13/855038413.db2.gz JDCKZAQYQWKPJE-RAIGVLPGSA-N 2 0 368.507 0.562 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)N(C)C ZINC001214948575 855039059 /nfs/dbraw/zinc/03/90/59/855039059.db2.gz RMTOXEPNWLUNIU-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001214996825 855049662 /nfs/dbraw/zinc/04/96/62/855049662.db2.gz DJEOPOXXDQKBCV-BZUAXINKSA-N 2 0 359.511 0.177 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015644 855052323 /nfs/dbraw/zinc/05/23/23/855052323.db2.gz YXAQGJOVTYZWGR-HYVNUMGLSA-N 2 0 350.463 0.352 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001215226327 855084106 /nfs/dbraw/zinc/08/41/06/855084106.db2.gz JAAJPSHSGOZFGV-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001215232363 855086487 /nfs/dbraw/zinc/08/64/87/855086487.db2.gz HOJDLDVLWYAQKC-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215397056 855110091 /nfs/dbraw/zinc/11/00/91/855110091.db2.gz QPMSSUZVABLKSC-WBTNSWJXSA-N 2 0 350.507 0.774 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423846 855112841 /nfs/dbraw/zinc/11/28/41/855112841.db2.gz VKBMEBSLODKIRJ-BZUAXINKSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215453698 855117214 /nfs/dbraw/zinc/11/72/14/855117214.db2.gz OFMXQJLTJSOEDR-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215459123 855117248 /nfs/dbraw/zinc/11/72/48/855117248.db2.gz YIQBIRZUVMNNMV-IJLUTSLNSA-N 2 0 352.401 0.442 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458984 855117287 /nfs/dbraw/zinc/11/72/87/855117287.db2.gz SGNAAYZKBRSBJS-BZUAXINKSA-N 2 0 356.511 0.306 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453602 855117444 /nfs/dbraw/zinc/11/74/44/855117444.db2.gz KDOTZSOQQXHDAL-KBAYOESNSA-N 2 0 355.523 0.798 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001215460639 855117912 /nfs/dbraw/zinc/11/79/12/855117912.db2.gz BLCGZJRHYLUMPC-TZMCWYRMSA-N 2 0 363.487 0.644 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001215460721 855118299 /nfs/dbraw/zinc/11/82/99/855118299.db2.gz FCDZTXIGPQXHLZ-CZUORRHYSA-N 2 0 350.507 0.679 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474534 855119444 /nfs/dbraw/zinc/11/94/44/855119444.db2.gz XHXNRYIOVFYYTK-BFYDXBDKSA-N 2 0 356.511 0.162 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1)[NH+](CC)CC ZINC001215516417 855123512 /nfs/dbraw/zinc/12/35/12/855123512.db2.gz HGGQRAZJUPZTSI-BZUAXINKSA-N 2 0 361.552 0.978 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001215540659 855125909 /nfs/dbraw/zinc/12/59/09/855125909.db2.gz PFMDPMHOEORQHZ-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536058 855126176 /nfs/dbraw/zinc/12/61/76/855126176.db2.gz GCRRMNGULITNNA-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215540589 855126423 /nfs/dbraw/zinc/12/64/23/855126423.db2.gz MZXWWFUSTPWUBX-YNEHKIRRSA-N 2 0 366.491 0.255 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215536086 855126535 /nfs/dbraw/zinc/12/65/35/855126535.db2.gz HQXVPWCDYQQCDY-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215544264 855127217 /nfs/dbraw/zinc/12/72/17/855127217.db2.gz MRVHWCKYTHNYJU-YNEHKIRRSA-N 2 0 364.412 0.443 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215865160 855152186 /nfs/dbraw/zinc/15/21/86/855152186.db2.gz IHCDVNPGYYGECN-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001216099151 855169795 /nfs/dbraw/zinc/16/97/95/855169795.db2.gz IZXMULJJBUTNPT-CRAIPNDOSA-N 2 0 353.507 0.960 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216226290 855181995 /nfs/dbraw/zinc/18/19/95/855181995.db2.gz RMHUOZYDHDCVOE-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001216382856 855196683 /nfs/dbraw/zinc/19/66/83/855196683.db2.gz DVZVPONMQXCICJ-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401658 855198944 /nfs/dbraw/zinc/19/89/44/855198944.db2.gz OVGRZADFHTVFHB-GDBMZVCRSA-N 2 0 350.463 0.605 20 0 FCADRP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400998 855199214 /nfs/dbraw/zinc/19/92/14/855199214.db2.gz FWPQMZQAMIQWSP-IUODEOHRSA-N 2 0 371.913 0.897 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752153 855232070 /nfs/dbraw/zinc/23/20/70/855232070.db2.gz HPJDUVNHPWWXSV-BZUAXINKSA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216757643 855234221 /nfs/dbraw/zinc/23/42/21/855234221.db2.gz HCZIUFVDFOOWMG-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216772581 855237714 /nfs/dbraw/zinc/23/77/14/855237714.db2.gz GRLGRAFTSBOXKJ-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001216833951 855252655 /nfs/dbraw/zinc/25/26/55/855252655.db2.gz BZBDLUWYARSPMZ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216852064 855259291 /nfs/dbraw/zinc/25/92/91/855259291.db2.gz NIHBJGLNTIEDAO-HZPDHXFCSA-N 2 0 361.552 0.976 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216852131 855260519 /nfs/dbraw/zinc/26/05/19/855260519.db2.gz QMVDSDUJTCEABH-UKRRQHHQSA-N 2 0 371.503 0.960 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218017265 855389403 /nfs/dbraw/zinc/38/94/03/855389403.db2.gz TWWGTMAGCUJVCN-UWVGGRQHSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218400264 855423735 /nfs/dbraw/zinc/42/37/35/855423735.db2.gz UDMYMSPZFWXEPW-JTQLQIEISA-N 2 0 350.419 0.282 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)cc1 ZINC001218535119 855436447 /nfs/dbraw/zinc/43/64/47/855436447.db2.gz WYOLKKMYZXKDFG-NEPJUHHUSA-N 2 0 359.455 0.567 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]32)CC1 ZINC001218550868 855438727 /nfs/dbraw/zinc/43/87/27/855438727.db2.gz QYBCYGHEEGMYPG-IXDOHACOSA-N 2 0 351.491 0.809 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1nc(Br)cn2ccnc12)C1CC[NH2+]CC1 ZINC001218562976 855439055 /nfs/dbraw/zinc/43/90/55/855439055.db2.gz ABUFKCOIFHVYAW-SNVBAGLBSA-N 2 0 353.224 0.757 20 0 FCADRP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001218735568 855472213 /nfs/dbraw/zinc/47/22/13/855472213.db2.gz QDVSCDNJIWSJLL-OAHLLOKOSA-N 2 0 350.467 0.455 20 0 FCADRP COC(=O)c1cc(Br)cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218733966 855472607 /nfs/dbraw/zinc/47/26/07/855472607.db2.gz PDCIAHDXFVIFIS-LBPRGKRZSA-N 2 0 371.235 0.896 20 0 FCADRP Nc1nc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218767286 855477640 /nfs/dbraw/zinc/47/76/40/855477640.db2.gz SEQPYJKAOCEJLV-JQWIXIFHSA-N 2 0 368.869 0.703 20 0 FCADRP CC(C)(C)[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218776452 855478479 /nfs/dbraw/zinc/47/84/79/855478479.db2.gz KZJJNYFLYJKGJE-NHCYSSNCSA-N 2 0 370.885 0.003 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)cc2)CC1 ZINC001218846074 855485724 /nfs/dbraw/zinc/48/57/24/855485724.db2.gz PPLXVHULVXHTCK-SSOJOUAXSA-N 2 0 366.531 0.859 20 0 FCADRP COc1cc(Br)c(O)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218873912 855489342 /nfs/dbraw/zinc/48/93/42/855489342.db2.gz AZGNGEJECHUSSD-SECBINFHSA-N 2 0 356.220 0.911 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882408 855490927 /nfs/dbraw/zinc/49/09/27/855490927.db2.gz SIIBQOCOMUHDJK-GFCCVEGCSA-N 2 0 352.385 0.915 20 0 FCADRP COC(Cc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1)OC ZINC001219443926 855673330 /nfs/dbraw/zinc/67/33/30/855673330.db2.gz CZIKRRFNDHBPCA-MRXNPFEDSA-N 2 0 350.463 0.537 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CC(F)F)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503334 855696243 /nfs/dbraw/zinc/69/62/43/855696243.db2.gz HBNHBBDBMGYWDP-FVMDXXJSSA-N 2 0 354.357 0.799 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219535882 855706055 /nfs/dbraw/zinc/70/60/55/855706055.db2.gz AQFFUCPMRURSFT-COPLHBTASA-N 2 0 350.444 0.227 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C(=S)NC(=O)OC)c1ccccc1N ZINC001219550045 855709652 /nfs/dbraw/zinc/70/96/52/855709652.db2.gz LMFIIZZCKQIZCT-LBPRGKRZSA-N 2 0 367.475 0.960 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)CC1 ZINC001219582307 855722344 /nfs/dbraw/zinc/72/23/44/855722344.db2.gz ANOWPDRANTVMIC-YOEHRIQHSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C[NH2+]1 ZINC001219584989 855722543 /nfs/dbraw/zinc/72/25/43/855722543.db2.gz OYAHQUVUEGDENF-CWRNSKLLSA-N 2 0 364.515 0.620 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccsc2)C1 ZINC001219615847 855735148 /nfs/dbraw/zinc/73/51/48/855735148.db2.gz GJUXFGOMXSHSFI-LJIGWXMPSA-N 2 0 370.494 0.391 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219833364 855836769 /nfs/dbraw/zinc/83/67/69/855836769.db2.gz CIEAGFSOPOKLSG-SFTQSGBHSA-N 2 0 351.369 0.038 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001219837857 855839285 /nfs/dbraw/zinc/83/92/85/855839285.db2.gz MKSZXFVDJGHBNN-PBFPGSCMSA-N 2 0 366.487 0.693 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)C1 ZINC001219938973 855888633 /nfs/dbraw/zinc/88/86/33/855888633.db2.gz MBOXEXOHLNMYCI-CABCVRRESA-N 2 0 369.487 0.984 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073635 855946660 /nfs/dbraw/zinc/94/66/60/855946660.db2.gz FZWFDEVZDMCZCY-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CCCC1 ZINC001220078234 855948642 /nfs/dbraw/zinc/94/86/42/855948642.db2.gz KYZRPZMKVQYKGW-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH2+]CCCCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220079663 855948757 /nfs/dbraw/zinc/94/87/57/855948757.db2.gz UYWIHKWQWADYIZ-UHFFFAOYSA-N 2 0 368.503 0.446 20 0 FCADRP CN(C)Cc1nc(CSCCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cs1 ZINC001220129164 855973699 /nfs/dbraw/zinc/97/36/99/855973699.db2.gz ZKTGGTXNXXRCCF-HNNXBMFYSA-N 2 0 371.576 0.881 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220166639 855992097 /nfs/dbraw/zinc/99/20/97/855992097.db2.gz FABGFJFYEPBKAR-DEYYWGMASA-N 2 0 354.495 0.284 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001220200168 856006254 /nfs/dbraw/zinc/00/62/54/856006254.db2.gz CDPGQYSNGRBGEL-SJLPKXTDSA-N 2 0 352.523 0.677 20 0 FCADRP CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220294165 856049592 /nfs/dbraw/zinc/04/95/92/856049592.db2.gz JBBHXQSQLTVHKB-CABCVRRESA-N 2 0 351.447 0.827 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316375 856061235 /nfs/dbraw/zinc/06/12/35/856061235.db2.gz OULJLPBOGQHOJF-DHSIGJKJSA-N 2 0 353.463 0.607 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315509 856061352 /nfs/dbraw/zinc/06/13/52/856061352.db2.gz DRDUJMVQMZICGO-DEYYWGMASA-N 2 0 355.479 0.853 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC12CCOCC2 ZINC001220329396 856067789 /nfs/dbraw/zinc/06/77/89/856067789.db2.gz OMSOIILTFZGBBK-KKUMJFAQSA-N 2 0 352.479 0.119 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359098 856082457 /nfs/dbraw/zinc/08/24/57/856082457.db2.gz AHTREFFHHZJBKQ-IKGGRYGDSA-N 2 0 353.507 0.695 20 0 FCADRP CCCn1c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc(=O)n(CCC)c1=O ZINC001220424329 856119501 /nfs/dbraw/zinc/11/95/01/856119501.db2.gz BAHXNHZPRLNAMU-ZDUSSCGKSA-N 2 0 353.467 0.615 20 0 FCADRP CCCn1c(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)cc(=O)n(CCC)c1=O ZINC001220424699 856119630 /nfs/dbraw/zinc/11/96/30/856119630.db2.gz PVPBABBFOKPVSC-ZDUSSCGKSA-N 2 0 353.467 0.486 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc(C(N)=O)cs2)C[C@H]1C[NH+](C)C ZINC001220430631 856122385 /nfs/dbraw/zinc/12/23/85/856122385.db2.gz FBUFOHLUJOICSL-GHMZBOCLSA-N 2 0 354.480 0.445 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481757 856147743 /nfs/dbraw/zinc/14/77/43/856147743.db2.gz QDGGQZUPFKJTNP-VPWBDBDCSA-N 2 0 359.467 0.147 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)CC[NH2+]C1 ZINC001220521382 856165346 /nfs/dbraw/zinc/16/53/46/856165346.db2.gz FPYQBLYZKNAUPW-ZDUSSCGKSA-N 2 0 355.435 0.233 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611427 856205520 /nfs/dbraw/zinc/20/55/20/856205520.db2.gz XFGWKKZHTMMKOI-PVUDRZGPSA-N 2 0 362.293 0.661 20 0 FCADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CCCCC1 ZINC001220731176 856268462 /nfs/dbraw/zinc/26/84/62/856268462.db2.gz GYNNQJLSCRARGU-HOTGVXAUSA-N 2 0 354.495 0.365 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220740655 856273798 /nfs/dbraw/zinc/27/37/98/856273798.db2.gz MWMLIOXIMDHGNA-SJORKVTESA-N 2 0 359.511 0.059 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800696 856306885 /nfs/dbraw/zinc/30/68/85/856306885.db2.gz UFCMLDBRRINPRL-JHJVBQTASA-N 3 0 364.412 0.096 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001220803102 856307866 /nfs/dbraw/zinc/30/78/66/856307866.db2.gz BUZDXABUUJAJMA-RWMBFGLXSA-N 2 0 358.364 0.312 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC(=O)OC2CCCCC2)C[NH2+]C1 ZINC001220826814 856328163 /nfs/dbraw/zinc/32/81/63/856328163.db2.gz AMUPFHLFJZIVNI-ZDUSSCGKSA-N 2 0 353.419 0.116 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220896176 856363396 /nfs/dbraw/zinc/36/33/96/856363396.db2.gz DCNNMQCNQHAYKO-HNNXBMFYSA-N 2 0 366.487 0.199 20 0 FCADRP O=C(CNC(=O)[C@H]1CC[NH2+]C[C@H]1F)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900995 856364599 /nfs/dbraw/zinc/36/45/99/856364599.db2.gz ROYBLINWXKRBNI-JKSUJKDBSA-N 2 0 354.470 0.527 20 0 FCADRP CCN(CC)C(=O)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001220910941 856370413 /nfs/dbraw/zinc/37/04/13/856370413.db2.gz AACUTHBYKRLVSK-RDTXWAMCSA-N 2 0 351.495 0.228 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001220985889 856407344 /nfs/dbraw/zinc/40/73/44/856407344.db2.gz IVOUIWCAFANYAK-UAGQMJEPSA-N 2 0 353.507 0.552 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220994082 856411769 /nfs/dbraw/zinc/41/17/69/856411769.db2.gz AHXQQGUIOYLKJD-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@H]([NH3+])C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068394 856447009 /nfs/dbraw/zinc/44/70/09/856447009.db2.gz WRSKLHWCPXPRIH-VIAGDVCTSA-N 2 0 357.495 0.388 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221081435 856452230 /nfs/dbraw/zinc/45/22/30/856452230.db2.gz LSZRSPNMRGPKKN-KSZLIROESA-N 2 0 353.507 0.983 20 0 FCADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221244269 856528090 /nfs/dbraw/zinc/52/80/90/856528090.db2.gz UPNSLPKLOGDKHD-MPGHIAIKSA-N 3 0 353.511 0.034 20 0 FCADRP COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1nnc(C)o1 ZINC001221335380 856550970 /nfs/dbraw/zinc/55/09/70/856550970.db2.gz FHVWOAHLCQMTQA-JSGCOSHPSA-N 2 0 365.459 0.611 20 0 FCADRP C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349606 856553868 /nfs/dbraw/zinc/55/38/68/856553868.db2.gz DNPGWQRKUGRWKS-AVGNSLFASA-N 2 0 358.483 0.184 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H](C)C1 ZINC001221407673 856559478 /nfs/dbraw/zinc/55/94/78/856559478.db2.gz DUIPUIPJDIJATA-ILXRZTDVSA-N 2 0 356.511 0.480 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776997 856678866 /nfs/dbraw/zinc/67/88/66/856678866.db2.gz NHXUGDXCVHBYDS-KZNAEPCWSA-N 2 0 355.523 0.894 20 0 FCADRP Cc1ncc(CO)c(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1O ZINC001279326522 862829987 /nfs/dbraw/zinc/82/99/87/862829987.db2.gz IGLIFYVNWAPINP-IRXDYDNUSA-N 2 0 350.463 0.035 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920673 856734590 /nfs/dbraw/zinc/73/45/90/856734590.db2.gz QHAFHNYLPTZBPC-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227640 856970677 /nfs/dbraw/zinc/97/06/77/856970677.db2.gz NDGDTGXNUJNJFJ-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001226799835 857126694 /nfs/dbraw/zinc/12/66/94/857126694.db2.gz DVBQZECAXTXVEO-JFIYKMOQSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C1CC1 ZINC001226801166 857126715 /nfs/dbraw/zinc/12/67/15/857126715.db2.gz UFWZHNLDRZRCPY-BZUAXINKSA-N 2 0 351.495 0.369 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001226800532 857126894 /nfs/dbraw/zinc/12/68/94/857126894.db2.gz LQOFWNWZYWNUHE-BRWVUGGUSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001227057124 857138064 /nfs/dbraw/zinc/13/80/64/857138064.db2.gz NRPJASPBGHIRTC-RBSFLKMASA-N 2 0 362.540 0.235 20 0 FCADRP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354328 857155689 /nfs/dbraw/zinc/15/56/89/857155689.db2.gz ARISWFSHGZLJDW-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228367081 857206646 /nfs/dbraw/zinc/20/66/46/857206646.db2.gz ZZDBENQNUFXDJV-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001229388776 857267768 /nfs/dbraw/zinc/26/77/68/857267768.db2.gz INXRDMZYPIPTCQ-OAGGEKHMSA-N 2 0 352.479 0.003 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(=O)NC1CC1 ZINC001229692377 857281801 /nfs/dbraw/zinc/28/18/01/857281801.db2.gz GHRNJIJDRAYPGU-FVQBIDKESA-N 2 0 354.495 0.249 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229715984 857283400 /nfs/dbraw/zinc/28/34/00/857283400.db2.gz FADVKRHBYNQTEA-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001229801219 857287508 /nfs/dbraw/zinc/28/75/08/857287508.db2.gz NMWIEQJDGMFWEI-KFWWJZLASA-N 2 0 352.479 0.541 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229852808 857290315 /nfs/dbraw/zinc/29/03/15/857290315.db2.gz LUDTVHXAWAZQFQ-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234403623 857404201 /nfs/dbraw/zinc/40/42/01/857404201.db2.gz VRIMJOSJICGIJS-HYVNUMGLSA-N 2 0 354.495 0.012 20 0 FCADRP Fc1c(F)c(F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(F)c1F ZINC001235869786 857432783 /nfs/dbraw/zinc/43/27/83/857432783.db2.gz LHPDKNIKZDYACX-UHFFFAOYSA-N 2 0 352.351 0.967 20 0 FCADRP Nc1cc(Br)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871284 857433429 /nfs/dbraw/zinc/43/34/29/857433429.db2.gz ROPCJGRIHZDZKE-UHFFFAOYSA-N 2 0 356.312 0.616 20 0 FCADRP COCCCOc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235872037 857433517 /nfs/dbraw/zinc/43/35/17/857433517.db2.gz YMHYNIUQKIRDLV-UHFFFAOYSA-N 2 0 350.507 0.686 20 0 FCADRP CCOc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236308893 857437544 /nfs/dbraw/zinc/43/75/44/857437544.db2.gz ITBCLDURYUCUDD-UHFFFAOYSA-N 2 0 352.479 0.710 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCc1c(Cl)ncnc1Cl ZINC001236308822 857437821 /nfs/dbraw/zinc/43/78/21/857437821.db2.gz HRGIIENFXKZWLO-UHFFFAOYSA-N 2 0 363.293 0.442 20 0 FCADRP CCOC(=O)[C@H]1CC[C@H](C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236310041 857438029 /nfs/dbraw/zinc/43/80/29/857438029.db2.gz RTDNUOTWRLPOLI-WKILWMFISA-N 3 0 356.511 0.472 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1csc(C(F)(F)F)n1 ZINC001236310850 857439062 /nfs/dbraw/zinc/43/90/62/857439062.db2.gz MLEYYXZUMYQLCL-UHFFFAOYSA-N 2 0 353.414 0.778 20 0 FCADRP Cc1nc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1Br ZINC001236312039 857439908 /nfs/dbraw/zinc/43/99/08/857439908.db2.gz NBFABZYZHQFVLO-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP O=S(=O)(Nc1ccc(OCC2CC[NH2+]CC2)nc1)C1CC[NH2+]CC1 ZINC001237559663 857453988 /nfs/dbraw/zinc/45/39/88/857453988.db2.gz LPOFBCPAEGHHOD-UHFFFAOYSA-N 2 0 354.476 0.954 20 0 FCADRP COc1ccccc1C1(CNS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001238850161 857484828 /nfs/dbraw/zinc/48/48/28/857484828.db2.gz GVYXZNVDBQLELV-CQSZACIVSA-N 2 0 353.488 0.598 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001238851492 857485042 /nfs/dbraw/zinc/48/50/42/857485042.db2.gz FPDISXGPJARNOL-UHFFFAOYSA-N 2 0 352.504 0.622 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1cccc(Br)n1 ZINC001238878551 857485554 /nfs/dbraw/zinc/48/55/54/857485554.db2.gz ATEAMHYUIVFYEO-UHFFFAOYSA-N 2 0 365.297 0.841 20 0 FCADRP CC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])ccc21 ZINC001238878662 857485787 /nfs/dbraw/zinc/48/57/87/857485787.db2.gz JJJSZINHSYTXTK-UHFFFAOYSA-N 2 0 354.476 0.202 20 0 FCADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)N(S(=O)(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC001239027199 857501921 /nfs/dbraw/zinc/50/19/21/857501921.db2.gz OUADOUAFHNYYGN-MRXNPFEDSA-N 2 0 365.499 0.824 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001239076906 857506876 /nfs/dbraw/zinc/50/68/76/857506876.db2.gz HVXXLWGXKRPEEA-IAGOWNOFSA-N 2 0 364.515 0.775 20 0 FCADRP CCOC(=O)[C@@H](CCSC)NC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239218225 857524425 /nfs/dbraw/zinc/52/44/25/857524425.db2.gz XEYYKVPVKBJHFX-ZIAGYGMSSA-N 2 0 372.535 0.845 20 0 FCADRP COc1ccc(CNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239453472 857530204 /nfs/dbraw/zinc/53/02/04/857530204.db2.gz WOJNSGYQEYABRK-UHFFFAOYSA-N 2 0 367.519 0.186 20 0 FCADRP O[C@@H](CNc1cccnc1OC1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245959392 857562083 /nfs/dbraw/zinc/56/20/83/857562083.db2.gz MYODLKIPPZFSDP-CQSZACIVSA-N 2 0 350.463 0.490 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246034506 857566140 /nfs/dbraw/zinc/56/61/40/857566140.db2.gz XGFDYUUIJLTKKB-ARFHVFGLSA-N 2 0 357.401 0.032 20 0 FCADRP CCCOC[C@H](O)CN1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246034674 857566383 /nfs/dbraw/zinc/56/63/83/857566383.db2.gz RPGDGQYEFSNUPW-SNPRPXQTSA-N 2 0 368.396 0.791 20 0 FCADRP O[C@H](COc1ccc(Cl)cc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058449 857566890 /nfs/dbraw/zinc/56/68/90/857566890.db2.gz VNRAOKPNKLEYJC-INIZCTEOSA-N 2 0 356.898 0.164 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001246068509 857568233 /nfs/dbraw/zinc/56/82/33/857568233.db2.gz HXRZYPFBZQTSIH-GVDBMIGSSA-N 2 0 355.429 0.384 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@H](C1)[NH2+]2 ZINC001246244920 857571184 /nfs/dbraw/zinc/57/11/84/857571184.db2.gz DDTHMFZVBSOPRA-GADNRMJZSA-N 3 0 351.491 0.807 20 0 FCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC001246274899 857572715 /nfs/dbraw/zinc/57/27/15/857572715.db2.gz BYERELGNXFXMED-IAGOWNOFSA-N 2 0 366.531 0.723 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246456160 857580383 /nfs/dbraw/zinc/58/03/83/857580383.db2.gz HVYZVEFYPCJBLP-CQSZACIVSA-N 3 0 351.513 0.051 20 0 FCADRP [NH2+]=C(NCCC[C@H]([NH3+])C(=O)SCc1ccccc1)N[C@@H]1CNC(=O)C1 ZINC001246489739 857581282 /nfs/dbraw/zinc/58/12/82/857581282.db2.gz SVRBHOUMHJGYOS-KBPBESRZSA-N 2 0 363.487 0.556 20 0 FCADRP C1[NH2+]CC12C[C@H]([NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CS2 ZINC001246670026 857589696 /nfs/dbraw/zinc/58/96/96/857589696.db2.gz UOUQPLYDRWTTOY-AWEZNQCLSA-N 3 0 351.520 0.308 20 0 FCADRP C[C@H]1C[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CC[NH2+]1 ZINC001246698401 857590844 /nfs/dbraw/zinc/59/08/44/857590844.db2.gz VSQZSCVIZWLXMN-QCEMKRCNSA-N 2 0 355.508 0.095 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726414 857594198 /nfs/dbraw/zinc/59/41/98/857594198.db2.gz CUXBVYFVMRKFPT-IAGOWNOFSA-N 3 0 351.539 0.297 20 0 FCADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737594 857595416 /nfs/dbraw/zinc/59/54/16/857595416.db2.gz DWJKOECDNUMXBH-DZVNLGKHSA-N 2 0 351.491 0.570 20 0 FCADRP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)N2 ZINC001246869648 857604434 /nfs/dbraw/zinc/60/44/34/857604434.db2.gz GRNRAZAWQFPNPZ-ONWVLEABSA-N 2 0 350.507 0.414 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCN(CC(F)(F)F)CC1 ZINC001246925672 857606457 /nfs/dbraw/zinc/60/64/57/857606457.db2.gz OGFSDEMMSRTFIN-UHFFFAOYSA-N 2 0 353.433 0.129 20 0 FCADRP CCOC(=O)CC1CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926456 857606651 /nfs/dbraw/zinc/60/66/51/857606651.db2.gz UGFSTSRBEWCTEF-UHFFFAOYSA-N 3 0 356.511 0.614 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252817870 857842427 /nfs/dbraw/zinc/84/24/27/857842427.db2.gz KSJNIUKTCBMSOH-WJFTUGDTSA-N 2 0 356.507 0.974 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204035 857871994 /nfs/dbraw/zinc/87/19/94/857871994.db2.gz OTCOPNNEGYARFU-DLBZAZTESA-N 2 0 351.491 0.644 20 0 FCADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCN(C)CC[NH3+])CC2)cc1 ZINC001254172440 857946000 /nfs/dbraw/zinc/94/60/00/857946000.db2.gz GLAXTYVVKYQRMZ-UHFFFAOYSA-N 2 0 354.520 0.628 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254845786 857988509 /nfs/dbraw/zinc/98/85/09/857988509.db2.gz QCMPNRWPPGLYEU-GOSISDBHSA-N 2 0 359.511 0.085 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001255951280 858042441 /nfs/dbraw/zinc/04/24/41/858042441.db2.gz PJNPCRXIVLHZNO-GOSISDBHSA-N 3 0 363.543 0.722 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC2CC[NH2+]CC2)c1 ZINC001279614996 862980881 /nfs/dbraw/zinc/98/08/81/862980881.db2.gz JAGLUZMAIZKSPU-GJZGRUSLSA-N 2 0 353.492 0.257 20 0 FCADRP O=C([C@@H]1CCCO1)N1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256689707 858095290 /nfs/dbraw/zinc/09/52/90/858095290.db2.gz ZSZZNKXTRHJKAM-ABHNRTSZSA-N 2 0 351.491 0.953 20 0 FCADRP OCCOCCOCCOCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679626 858095693 /nfs/dbraw/zinc/09/56/93/858095693.db2.gz OYKRUVIEUXTPLO-UHFFFAOYSA-N 2 0 360.495 0.262 20 0 FCADRP C[NH+]1CCN(c2cccc(C[NH2+]C3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC001257225334 858127005 /nfs/dbraw/zinc/12/70/05/858127005.db2.gz KUPYNPMQLQBSSQ-UHFFFAOYSA-N 2 0 366.531 0.952 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001257242797 858132678 /nfs/dbraw/zinc/13/26/78/858132678.db2.gz GNINZVLYSYVNLV-UHFFFAOYSA-N 2 0 358.552 0.370 20 0 FCADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257724582 858157254 /nfs/dbraw/zinc/15/72/54/858157254.db2.gz QFIZVKKDRQTANA-ARFHVFGLSA-N 2 0 357.495 0.720 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC001261501991 858570603 /nfs/dbraw/zinc/57/06/03/858570603.db2.gz VOLCDKCTNSPDGE-UHFFFAOYSA-N 2 0 357.520 0.630 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001261558633 858593446 /nfs/dbraw/zinc/59/34/46/858593446.db2.gz MNGGSUBOVZOXGF-KXBFYZLASA-N 2 0 350.507 0.907 20 0 FCADRP COCCC1(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC001262091754 858777889 /nfs/dbraw/zinc/77/78/89/858777889.db2.gz UJDNZKIJDYPWDM-HOTGVXAUSA-N 2 0 356.511 0.944 20 0 FCADRP C[C@]1(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)NC(=O)NC1=O ZINC001262484970 858957860 /nfs/dbraw/zinc/95/78/60/858957860.db2.gz OVZHFKQKVKUMQJ-WMLDXEAASA-N 2 0 350.463 0.455 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1=O ZINC001262574516 859004251 /nfs/dbraw/zinc/00/42/51/859004251.db2.gz UNWWVGQLZLCHKI-WMLDXEAASA-N 2 0 353.438 0.628 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001262614823 859019031 /nfs/dbraw/zinc/01/90/31/859019031.db2.gz RGDOZOWPDQRLEG-IAGOWNOFSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+]1CCN(CCNC(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC1 ZINC001263103419 859102179 /nfs/dbraw/zinc/10/21/79/859102179.db2.gz YROHDFQZXVHZCW-CYBMUJFWSA-N 2 0 358.408 0.727 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001269415783 859548650 /nfs/dbraw/zinc/54/86/50/859548650.db2.gz JHZBAJCCKZLPTR-QLFBSQMISA-N 2 0 357.520 0.390 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001269415784 859548958 /nfs/dbraw/zinc/54/89/58/859548958.db2.gz JHZBAJCCKZLPTR-RBSFLKMASA-N 2 0 357.520 0.390 20 0 FCADRP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269992723 859624828 /nfs/dbraw/zinc/62/48/28/859624828.db2.gz WNWQELJOQCFQQE-YHWZYXNKSA-N 2 0 350.492 0.888 20 0 FCADRP CCCC[C@@H](CC)C[N@@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]21 ZINC001269992767 859625030 /nfs/dbraw/zinc/62/50/30/859625030.db2.gz YBFCPVUZGMKKHZ-OAGGEKHMSA-N 2 0 353.511 0.940 20 0 FCADRP C[C@@H](C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)[NH+]1CCCC1 ZINC001270489773 859769796 /nfs/dbraw/zinc/76/97/96/859769796.db2.gz INNUJYRHPQLLQI-IAOVAPTHSA-N 2 0 358.433 0.133 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272642937 860215741 /nfs/dbraw/zinc/21/57/41/860215741.db2.gz RDHZRKRQNPDJIY-GOSISDBHSA-N 2 0 354.495 0.110 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001272821954 860272600 /nfs/dbraw/zinc/27/26/00/860272600.db2.gz UKKGVNULMRDFNF-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273413786 860482244 /nfs/dbraw/zinc/48/22/44/860482244.db2.gz RMXMQXZVDIEIBN-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)[C@H]3CCC[N@H+](C)C3)(C1)CCC2 ZINC001273834146 860613281 /nfs/dbraw/zinc/61/32/81/860613281.db2.gz BOFKAMXMVSGUON-IPELMVKDSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273834101 860613302 /nfs/dbraw/zinc/61/33/02/860613302.db2.gz AMRWHMNMMYWOGD-PKOBYXMFSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001274158131 860694614 /nfs/dbraw/zinc/69/46/14/860694614.db2.gz UPRACMKARCTDGT-DZGCQCFKSA-N 2 0 368.547 0.481 20 0 FCADRP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001274202241 860706108 /nfs/dbraw/zinc/70/61/08/860706108.db2.gz BZQUVEBNPWGBDX-LSDHHAIUSA-N 2 0 364.515 0.941 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001274472438 860759460 /nfs/dbraw/zinc/75/94/60/860759460.db2.gz WJJVANRDOIKXQR-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1C[C@H]1C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275324338 861032764 /nfs/dbraw/zinc/03/27/64/861032764.db2.gz GBGQLCDOKXBHME-IRXDYDNUSA-N 2 0 350.507 0.193 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507465 861115327 /nfs/dbraw/zinc/11/53/27/861115327.db2.gz CFUCKEULUDPUQF-RDTXWAMCSA-N 2 0 354.495 0.141 20 0 FCADRP CC1(C)OC[C@@H](CN2C(=O)COCC23C[NH+](CC2CC[NH2+]CC2)C3)O1 ZINC001275737802 861180408 /nfs/dbraw/zinc/18/04/08/861180408.db2.gz OIEXUVPHWHJKMO-OAHLLOKOSA-N 2 0 353.463 0.051 20 0 FCADRP NC(=O)CCCCCN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738283 861181479 /nfs/dbraw/zinc/18/14/79/861181479.db2.gz XTZOIFMRVPTBGA-LJQANCHMSA-N 2 0 350.507 0.956 20 0 FCADRP COC(CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2)OC ZINC001275738291 861182332 /nfs/dbraw/zinc/18/23/32/861182332.db2.gz XVZRDPUHLMWDMD-SFHVURJKSA-N 2 0 355.479 0.156 20 0 FCADRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280019887 863190663 /nfs/dbraw/zinc/19/06/63/863190663.db2.gz BBPGZQORLGZSAC-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)CC1 ZINC001280126291 863277728 /nfs/dbraw/zinc/27/77/28/863277728.db2.gz WGYJCQQNKUXVND-MRXNPFEDSA-N 2 0 353.532 0.898 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)CC1 ZINC001280126567 863277779 /nfs/dbraw/zinc/27/77/79/863277779.db2.gz WIJAPXPITPLPGG-MRXNPFEDSA-N 2 0 371.547 0.591 20 0 FCADRP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126665 863277872 /nfs/dbraw/zinc/27/78/72/863277872.db2.gz YFDZJHVBWOPXEZ-SQNIBIBYSA-N 2 0 353.507 0.912 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001280126258 863277994 /nfs/dbraw/zinc/27/79/94/863277994.db2.gz UXBGGRGCRWUQDL-HNNXBMFYSA-N 2 0 368.547 0.340 20 0 FCADRP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280175153 863308078 /nfs/dbraw/zinc/30/80/78/863308078.db2.gz JEDUWFYFMLGBRV-HUUCEWRRSA-N 2 0 368.547 0.340 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@H]2C1 ZINC001280187701 863315986 /nfs/dbraw/zinc/31/59/86/863315986.db2.gz KUJFFRXPAQMPEV-HOTGVXAUSA-N 2 0 352.523 0.079 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C[C@@H]4CCCO4)C[C@H]23)CC1 ZINC001280191153 863319994 /nfs/dbraw/zinc/31/99/94/863319994.db2.gz FGCZLKYDDLETFL-HRCADAONSA-N 2 0 350.463 0.405 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@H+](C[C@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195814 863324521 /nfs/dbraw/zinc/32/45/21/863324521.db2.gz VSUXXOZOZYSWJX-DDBAPUKQSA-N 2 0 351.491 0.855 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001280237272 863354158 /nfs/dbraw/zinc/35/41/58/863354158.db2.gz PGJDTCPAHMPYMQ-DNVCBOLYSA-N 2 0 350.507 0.635 20 0 FCADRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CCCN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280246426 863358451 /nfs/dbraw/zinc/35/84/51/863358451.db2.gz YJDHGANKSPSDLK-BGYRXZFFSA-N 3 0 351.583 0.829 20 0 FCADRP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259059 863366406 /nfs/dbraw/zinc/36/64/06/863366406.db2.gz VODKAOHTIQIKHI-MHORFTMASA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001281968505 864009661 /nfs/dbraw/zinc/00/96/61/864009661.db2.gz YWUQIQLRWNPPTD-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1)[NH+](C)C ZINC001282307520 864180987 /nfs/dbraw/zinc/18/09/87/864180987.db2.gz YQIXLRXWYGPEIE-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1)[NH+](C)C ZINC001289501052 865102037 /nfs/dbraw/zinc/10/20/37/865102037.db2.gz LTUZDLWUQZAMIR-OWCLPIDISA-N 2 0 354.495 0.153 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001349991418 866486312 /nfs/dbraw/zinc/48/63/12/866486312.db2.gz FTHAQYVSRATEGO-JYJNAYRXSA-N 2 0 354.495 0.093 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001350029585 866494727 /nfs/dbraw/zinc/49/47/27/866494727.db2.gz SUVODWFZALEONE-CABCVRRESA-N 2 0 352.479 0.134 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001350029593 866494878 /nfs/dbraw/zinc/49/48/78/866494878.db2.gz SUVODWFZALEONE-HUUCEWRRSA-N 2 0 352.479 0.134 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001308820552 866720676 /nfs/dbraw/zinc/72/06/76/866720676.db2.gz MSNQJRXIQVQNGU-DLBZAZTESA-N 2 0 373.563 0.728 20 0 FCADRP C[C@@H](c1ccncc1)N1CCC(NS(=O)(=O)N2CCN(C)CC2)CC1 ZINC001309330454 866781125 /nfs/dbraw/zinc/78/11/25/866781125.db2.gz GUXIXTVHWSHVJJ-HNNXBMFYSA-N 2 0 367.519 0.689 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001351213719 866814562 /nfs/dbraw/zinc/81/45/62/866814562.db2.gz UFWJWNICCRAJCN-XIRDDKMYSA-N 2 0 353.511 0.173 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001353055624 867333975 /nfs/dbraw/zinc/33/39/75/867333975.db2.gz NCYLNEJFLTVFBK-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC001353150568 867361033 /nfs/dbraw/zinc/36/10/33/867361033.db2.gz UGLVLGFWGANHHF-GJZGRUSLSA-N 2 0 360.449 0.144 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001316597019 867361331 /nfs/dbraw/zinc/36/13/31/867361331.db2.gz CYZAXGFMXXXSHM-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001316596662 867362189 /nfs/dbraw/zinc/36/21/89/867362189.db2.gz VMDABYIMBIVKRX-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001316703022 867410255 /nfs/dbraw/zinc/41/02/55/867410255.db2.gz BSVDATAGJMVLJU-PMPSAXMXSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001353519408 867442449 /nfs/dbraw/zinc/44/24/49/867442449.db2.gz XSJIFALDFDZGBC-WCVJEAGWSA-N 2 0 351.495 0.546 20 0 FCADRP CCC[C@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1CCOC ZINC001354157351 867555550 /nfs/dbraw/zinc/55/55/50/867555550.db2.gz BNKJQTHMTXXJAZ-HOTGVXAUSA-N 2 0 354.495 0.143 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C1CCC1 ZINC001354244813 867568408 /nfs/dbraw/zinc/56/84/08/867568408.db2.gz CJUYVVBHZPVKMT-UHFFFAOYSA-N 2 0 350.467 0.498 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001354312930 867580613 /nfs/dbraw/zinc/58/06/13/867580613.db2.gz FYHUEHWKTGEZHP-OWCLPIDISA-N 2 0 351.499 0.703 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879784 867684436 /nfs/dbraw/zinc/68/44/36/867684436.db2.gz OCXDVPHXMOSHOY-OWJWWREXSA-N 2 0 352.504 0.691 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC001319046513 867815266 /nfs/dbraw/zinc/81/52/66/867815266.db2.gz MGSIIPCDVDIHTO-UHFFFAOYSA-N 2 0 355.527 0.160 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCCC2)CC[N@@H+]1C ZINC001356937283 868061057 /nfs/dbraw/zinc/06/10/57/868061057.db2.gz DWTAFPYXMUOIPC-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP O=C(C[NH2+]C[C@@H](O)COc1ccc(F)cc1)NCC[NH+]1CCCCC1 ZINC001357211045 868086888 /nfs/dbraw/zinc/08/68/88/868086888.db2.gz RKJKIBDFQRPHKV-MRXNPFEDSA-N 2 0 353.438 0.757 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001322524014 868843646 /nfs/dbraw/zinc/84/36/46/868843646.db2.gz FCQIZNABRAPEGZ-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325714107 869996769 /nfs/dbraw/zinc/99/67/69/869996769.db2.gz WXJYVMWVBVSKED-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[NH2+]CC1 ZINC001325743114 870015364 /nfs/dbraw/zinc/01/53/64/870015364.db2.gz JUQABILDQPPQOW-WDEREUQCSA-N 2 0 353.385 0.964 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1)CC[NH2+]CC2 ZINC001325862029 870066870 /nfs/dbraw/zinc/06/68/70/870066870.db2.gz FXZRSEMZQDAQHO-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(CN1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[NH2+]CC1 ZINC001326583054 870395031 /nfs/dbraw/zinc/39/50/31/870395031.db2.gz BQYFJQQAUWGPIO-UHFFFAOYSA-N 2 0 352.401 0.005 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)NC(=O)N[C@H]1C ZINC001326584293 870396769 /nfs/dbraw/zinc/39/67/69/870396769.db2.gz VFJXUIVLTFLCHZ-ZDUSSCGKSA-N 2 0 350.463 0.971 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC[NH2+]CC1 ZINC001326627327 870418400 /nfs/dbraw/zinc/41/84/00/870418400.db2.gz OWKSPBWYTKDXST-UHFFFAOYSA-N 2 0 372.516 0.715 20 0 FCADRP CC(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001343522967 870468690 /nfs/dbraw/zinc/46/86/90/870468690.db2.gz JBPIHJAPBRELSW-ZDUSSCGKSA-N 2 0 350.467 0.950 20 0 FCADRP COCC1(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC[NH2+]CC1 ZINC001327121711 870678008 /nfs/dbraw/zinc/67/80/08/870678008.db2.gz PDGBIHUKSWTOQD-UHFFFAOYSA-N 2 0 352.523 0.489 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC001327578691 870954839 /nfs/dbraw/zinc/95/48/39/870954839.db2.gz KRYXTWUAZHLIQW-WKILWMFISA-N 2 0 350.507 0.905 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327927766 871143452 /nfs/dbraw/zinc/14/34/52/871143452.db2.gz HTRFSUUWAIXVKD-CQSZACIVSA-N 2 0 350.467 0.433 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457409 871443802 /nfs/dbraw/zinc/44/38/02/871443802.db2.gz RILJTCGVJYFXIE-ZWKOTPCHSA-N 2 0 352.523 0.774 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328491018 871458723 /nfs/dbraw/zinc/45/87/23/871458723.db2.gz BCVOMQUIWTUSDV-UHFFFAOYSA-N 2 0 366.487 0.738 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328747118 871606167 /nfs/dbraw/zinc/60/61/67/871606167.db2.gz SMVAYUYYNWGRDU-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP CON(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001346526641 871883917 /nfs/dbraw/zinc/88/39/17/871883917.db2.gz PFLOSWCPKQMYLP-AEGPPILISA-N 2 0 353.467 0.005 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC001329240842 871907877 /nfs/dbraw/zinc/90/78/77/871907877.db2.gz KXIYOYVORRJKSB-AVGNSLFASA-N 2 0 364.412 0.382 20 0 FCADRP C/C(=C\C(=O)NOC1CC[NH+](C)CC1)C(=O)NOC1CC[NH+](C)CC1 ZINC001346960797 872083905 /nfs/dbraw/zinc/08/39/05/872083905.db2.gz FFTIDZVKNRNVHV-OUKQBFOZSA-N 2 0 354.451 0.217 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC001330916351 872870984 /nfs/dbraw/zinc/87/09/84/872870984.db2.gz LCOJILULNAMNMO-UHFFFAOYSA-N 2 0 352.479 0.087 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331906814 873299413 /nfs/dbraw/zinc/29/94/13/873299413.db2.gz XNSPICAMOQUKER-IRXDYDNUSA-N 2 0 353.511 0.163 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC001333216192 873858344 /nfs/dbraw/zinc/85/83/44/873858344.db2.gz SJHAOHOKKDFLBH-CQSZACIVSA-N 2 0 354.520 0.414 20 0 FCADRP CC1(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001333618204 874011348 /nfs/dbraw/zinc/01/13/48/874011348.db2.gz KYHOZCIKHONOTE-MRXNPFEDSA-N 2 0 353.511 0.224 20 0 FCADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926919 949029620 /nfs/dbraw/zinc/02/96/20/949029620.db2.gz ZTFINHYFRATTTQ-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703040 949302161 /nfs/dbraw/zinc/30/21/61/949302161.db2.gz PJFBWZIDSFGJIO-LBPRGKRZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001575264191 949419261 /nfs/dbraw/zinc/41/92/61/949419261.db2.gz MUDSHCYWBDKKAJ-NEPJUHHUSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197176 950387849 /nfs/dbraw/zinc/38/78/49/950387849.db2.gz LGUCMJFFUCTGJZ-KGLIPLIRSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205666 950533621 /nfs/dbraw/zinc/53/36/21/950533621.db2.gz MFLLBBJSOFCTBN-CQSZACIVSA-N 2 0 369.473 0.757 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208950 950621484 /nfs/dbraw/zinc/62/14/84/950621484.db2.gz VRELADLUFGUOGL-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214571 950674142 /nfs/dbraw/zinc/67/41/42/950674142.db2.gz QBMWWLPXJOYAQE-KBRIMQKVSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576215464 950699606 /nfs/dbraw/zinc/69/96/06/950699606.db2.gz VNCGVTOTMIRNHF-FVQBIDKESA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575928133 950775367 /nfs/dbraw/zinc/77/53/67/950775367.db2.gz YZHUTJITSNLEMZ-GXTWGEPZSA-N 2 0 356.434 0.181 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001570988607 950790893 /nfs/dbraw/zinc/79/08/93/950790893.db2.gz KNHWHQPMEKOFKN-JKSUJKDBSA-N 2 0 357.462 0.897 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063195 951964178 /nfs/dbraw/zinc/96/41/78/951964178.db2.gz JSYOOBJCKFHQQQ-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064640 951977696 /nfs/dbraw/zinc/97/76/96/951977696.db2.gz WASJUTQFTNXTPT-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065050 951983108 /nfs/dbraw/zinc/98/31/08/951983108.db2.gz YYQHUNSAFKIQEK-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571075684 952092751 /nfs/dbraw/zinc/09/27/51/952092751.db2.gz ATOBSMWEQKNRGQ-CYBMUJFWSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571075733 952095061 /nfs/dbraw/zinc/09/50/61/952095061.db2.gz BOWMCIMYKRGQEL-WOSRLPQWSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077445 952119794 /nfs/dbraw/zinc/11/97/94/952119794.db2.gz AREKEDATLAXLBR-ZIAGYGMSSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078913 952135536 /nfs/dbraw/zinc/13/55/36/952135536.db2.gz XRJBJICCRSLFFR-MELADBBJSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078912 952135798 /nfs/dbraw/zinc/13/57/98/952135798.db2.gz XRJBJICCRSLFFR-BFHYXJOUSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105103 952387563 /nfs/dbraw/zinc/38/75/63/952387563.db2.gz HQXREFNTBOOPQQ-ZBFHGGJFSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571105365 952393952 /nfs/dbraw/zinc/39/39/52/952393952.db2.gz OOEYAOOAJANEKJ-LSDHHAIUSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@H]2C1 ZINC000410983662 529796532 /nfs/dbraw/zinc/79/65/32/529796532.db2.gz QBTXLZLHKQSMQG-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)C2)CC1 ZINC000410965300 530050878 /nfs/dbraw/zinc/05/08/78/530050878.db2.gz BLKMKOWWRQSGIG-KURKYZTESA-N 2 0 362.518 0.729 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752924 674055670 /nfs/dbraw/zinc/05/56/70/674055670.db2.gz XPRFHLTWCRMHOG-RBUKOAKNSA-N 2 0 355.523 0.381 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCSC1 ZINC000331540169 215012151 /nfs/dbraw/zinc/01/21/51/215012151.db2.gz PKIXURVDXPGELU-CPUCHLNUSA-N 2 0 354.520 0.093 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[NH+](C)C1 ZINC000331542492 215013244 /nfs/dbraw/zinc/01/32/44/215013244.db2.gz PQMMAIIQEOVVHA-QZWWFDLISA-N 2 0 366.506 0.107 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000331547592 215013582 /nfs/dbraw/zinc/01/35/82/215013582.db2.gz BEQFBDMRXUVYQV-TUVASFSCSA-N 2 0 352.479 0.301 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000331600750 215020838 /nfs/dbraw/zinc/02/08/38/215020838.db2.gz ZRZGRAOLSNWCAG-IKGGRYGDSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C[C@H]1[NH3+] ZINC000331751288 215042759 /nfs/dbraw/zinc/04/27/59/215042759.db2.gz ABDXILAWMMRYLK-IXDOHACOSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000331855555 215056291 /nfs/dbraw/zinc/05/62/91/215056291.db2.gz DPQQUNBGCGMSHR-LSDHHAIUSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1[NH3+] ZINC000331859552 215058663 /nfs/dbraw/zinc/05/86/63/215058663.db2.gz JSWZWNYFECTVLD-VXLLPVPCSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000331930338 215068946 /nfs/dbraw/zinc/06/89/46/215068946.db2.gz DTLOQDOANJHDFC-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000332061499 215086471 /nfs/dbraw/zinc/08/64/71/215086471.db2.gz YDMHQXLSEDKQRR-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000332076279 215087357 /nfs/dbraw/zinc/08/73/57/215087357.db2.gz ZEUDVFAAYIOJFV-NVXWUHKLSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000332089789 215091339 /nfs/dbraw/zinc/09/13/39/215091339.db2.gz USZVRKXEDWZDOR-GTPINHCMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1[NH+](C)C ZINC000332134938 215099793 /nfs/dbraw/zinc/09/97/93/215099793.db2.gz LTFFBBVNVICKRG-ZMSDIMECSA-N 2 0 366.506 0.107 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332330948 215130995 /nfs/dbraw/zinc/13/09/95/215130995.db2.gz QFNPFDYPQCGJMI-BHYGNILZSA-N 2 0 350.507 0.809 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332462419 215156275 /nfs/dbraw/zinc/15/62/75/215156275.db2.gz JPDGJKKMVWGJBF-BZUAXINKSA-N 2 0 351.495 0.452 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332519152 215166168 /nfs/dbraw/zinc/16/61/68/215166168.db2.gz JJGWAANBVLJSDO-WBVHZDCISA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332533492 215171169 /nfs/dbraw/zinc/17/11/69/215171169.db2.gz RTNUGPDRTOPIFG-HLLBOEOZSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000332550556 215176901 /nfs/dbraw/zinc/17/69/01/215176901.db2.gz PGVPRZIKBVOWPS-WBVHZDCISA-N 2 0 366.506 0.001 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000332557186 215178486 /nfs/dbraw/zinc/17/84/86/215178486.db2.gz UHKIAFYAGDYROS-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332702450 215205923 /nfs/dbraw/zinc/20/59/23/215205923.db2.gz YGGAKKKVUYQJDD-JKSUJKDBSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000332932511 215219274 /nfs/dbraw/zinc/21/92/74/215219274.db2.gz IIXQTDDFXJASCX-LMMKCTJWSA-N 2 0 369.506 0.339 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1(C)C ZINC000333119851 215238032 /nfs/dbraw/zinc/23/80/32/215238032.db2.gz UTKPZXWYTUWLEK-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000333258291 215255824 /nfs/dbraw/zinc/25/58/24/215255824.db2.gz LRQGMGBJSUAKBV-YOEHRIQHSA-N 2 0 358.552 0.910 20 0 FCADRP C[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CC(C)(C)O ZINC000333282122 215258529 /nfs/dbraw/zinc/25/85/29/215258529.db2.gz PPSNVYZJOQTAFK-YOEHRIQHSA-N 2 0 358.552 0.910 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCN3CCCS3(=O)=O)CC2)C[C@H](C)O1 ZINC000333295066 215260104 /nfs/dbraw/zinc/26/01/04/215260104.db2.gz AYIOLSOLURZYHG-IYBDPMFKSA-N 2 0 359.536 0.843 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333298176 215260320 /nfs/dbraw/zinc/26/03/20/215260320.db2.gz IOIPAQBYRVRFNG-YESZJQIVSA-N 2 0 354.495 0.635 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000333494941 215290535 /nfs/dbraw/zinc/29/05/35/215290535.db2.gz DSZNXIFLJGYXPW-RDBSUJKOSA-N 2 0 363.428 0.558 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333618507 215302535 /nfs/dbraw/zinc/30/25/35/215302535.db2.gz RIHQFWFSOZTGRT-ARFHVFGLSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333774618 215317748 /nfs/dbraw/zinc/31/77/48/215317748.db2.gz CPWZSRKPCFGHEO-CALCHBBNSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)C[C@@H](C)O1 ZINC000333768815 215318046 /nfs/dbraw/zinc/31/80/46/215318046.db2.gz BRTHIMKPFAIHIW-NUJGCVRESA-N 2 0 368.522 0.896 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333789765 215318395 /nfs/dbraw/zinc/31/83/95/215318395.db2.gz FZNYLTOHWLZRAK-OAHLLOKOSA-N 2 0 351.495 0.324 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333830923 215323532 /nfs/dbraw/zinc/32/35/32/215323532.db2.gz MNHJGZGGDRNTDB-WBVHZDCISA-N 2 0 365.522 0.759 20 0 FCADRP C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000333891378 215328716 /nfs/dbraw/zinc/32/87/16/215328716.db2.gz YUXLCJRGPSNLHK-OKZBNKHCSA-N 2 0 372.517 0.938 20 0 FCADRP CC[N@@H+]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334115997 215345654 /nfs/dbraw/zinc/34/56/54/215345654.db2.gz HEYMQPOTRMFBJG-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP Cc1nccn1CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000285552698 213358549 /nfs/dbraw/zinc/35/85/49/213358549.db2.gz IQZLMTSVJZCBTL-INIZCTEOSA-N 2 0 365.478 0.171 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013892 215379421 /nfs/dbraw/zinc/37/94/21/215379421.db2.gz WQTVKSRDDBJOIE-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CC1 ZINC000285106840 213283766 /nfs/dbraw/zinc/28/37/66/213283766.db2.gz QKWOYQSDWWUXKA-UHFFFAOYSA-N 2 0 359.405 0.838 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000284727291 213207164 /nfs/dbraw/zinc/20/71/64/213207164.db2.gz GWPXFIIHFCXBSS-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284651807 213190961 /nfs/dbraw/zinc/19/09/61/213190961.db2.gz ZWMJUVCULCGCPW-CQSZACIVSA-N 2 0 370.519 0.552 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000284540371 213165150 /nfs/dbraw/zinc/16/51/50/213165150.db2.gz SHMOVUNLIFFCOW-OAHLLOKOSA-N 2 0 364.490 0.700 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000284311411 213108960 /nfs/dbraw/zinc/10/89/60/213108960.db2.gz ZHAHGHTYNMIOJF-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284147118 213083683 /nfs/dbraw/zinc/08/36/83/213083683.db2.gz QKTQQLJLZGNBGK-UHFFFAOYSA-N 2 0 364.490 0.319 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791778 216031641 /nfs/dbraw/zinc/03/16/41/216031641.db2.gz DAGNRBXKCLVTEF-IAGOWNOFSA-N 2 0 366.506 0.251 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262268640 209557208 /nfs/dbraw/zinc/55/72/08/209557208.db2.gz VKJMSZJNFMSNIG-SUMWQHHRSA-N 2 0 366.487 0.642 20 0 FCADRP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000368198135 216214933 /nfs/dbraw/zinc/21/49/33/216214933.db2.gz KQQXJMDKTWUAGP-BBWFWOEESA-N 2 0 353.507 0.933 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000246178415 209380708 /nfs/dbraw/zinc/38/07/08/209380708.db2.gz BVUGCQXDOWZMKY-HZMVEIRTSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000237173123 209349210 /nfs/dbraw/zinc/34/92/10/209349210.db2.gz ALZJCJLPBWLKAL-KRWDZBQOSA-N 2 0 362.474 0.363 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237215062 209349100 /nfs/dbraw/zinc/34/91/00/209349100.db2.gz QWBOXPHNDCDJRT-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194834123 209330101 /nfs/dbraw/zinc/33/01/01/209330101.db2.gz OIWLGZKPLVRTLK-UHFFFAOYSA-N 2 0 353.492 0.271 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000368658708 216277791 /nfs/dbraw/zinc/27/77/91/216277791.db2.gz MNCLEIHTUAABOG-QZTJIDSGSA-N 2 0 352.523 0.506 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368705333 216284950 /nfs/dbraw/zinc/28/49/50/216284950.db2.gz ZRRATLFROAKYNH-OAGGEKHMSA-N 2 0 354.495 0.336 20 0 FCADRP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000368769260 216293633 /nfs/dbraw/zinc/29/36/33/216293633.db2.gz FYNBDYHGMMINLJ-QGZVFWFLSA-N 2 0 352.523 0.808 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402718 216395807 /nfs/dbraw/zinc/39/58/07/216395807.db2.gz RWEUJUOMCSQJAJ-HZPDHXFCSA-N 2 0 353.511 0.175 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)C1 ZINC000188757977 209239575 /nfs/dbraw/zinc/23/95/75/209239575.db2.gz XNAVSTCWFOCRQF-IXDOHACOSA-N 2 0 362.449 0.700 20 0 FCADRP C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000276718391 212281303 /nfs/dbraw/zinc/28/13/03/212281303.db2.gz ZMHGEYNNJXDKBY-XNRPHZJLSA-N 2 0 350.438 0.478 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000187980718 209221075 /nfs/dbraw/zinc/22/10/75/209221075.db2.gz NISRTRDGQKYJCY-DLBZAZTESA-N 2 0 350.438 0.441 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000187240157 209208794 /nfs/dbraw/zinc/20/87/94/209208794.db2.gz QKZKNJAVFPRQME-UHFFFAOYSA-N 2 0 355.527 0.158 20 0 FCADRP C[C@H](O)C[NH+](Cc1ccc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)cc1)[C@@H](C)CO ZINC000276222847 212190287 /nfs/dbraw/zinc/19/02/87/212190287.db2.gz QRNDIYLINCRVKJ-XSLAGTTESA-N 2 0 368.518 0.814 20 0 FCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275886478 212112579 /nfs/dbraw/zinc/11/25/79/212112579.db2.gz LZHOCUFCKGMYEI-UHFFFAOYSA-N 2 0 350.463 0.472 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000931441103 674115048 /nfs/dbraw/zinc/11/50/48/674115048.db2.gz NYGKEMNJTSSQHA-KGLIPLIRSA-N 2 0 366.487 0.546 20 0 FCADRP COc1ccc(COC[C@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931487175 674117253 /nfs/dbraw/zinc/11/72/53/674117253.db2.gz UTRWZUHNOVRVNZ-QGZVFWFLSA-N 2 0 352.475 0.961 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000414683462 245311797 /nfs/dbraw/zinc/31/17/97/245311797.db2.gz TXJBFJGIIODDAP-GJZGRUSLSA-N 2 0 362.474 0.960 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088299 245347093 /nfs/dbraw/zinc/34/70/93/245347093.db2.gz WGOHRXSXZAGJKC-SJORKVTESA-N 2 0 374.485 0.453 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000415276080 245374130 /nfs/dbraw/zinc/37/41/30/245374130.db2.gz ZWHSFZIDJDESBY-UHFFFAOYSA-N 2 0 373.501 0.712 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000415331308 245389427 /nfs/dbraw/zinc/38/94/27/245389427.db2.gz MACLCNTWTPLKNT-HNNXBMFYSA-N 2 0 362.474 0.990 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415349908 245396434 /nfs/dbraw/zinc/39/64/34/245396434.db2.gz FBLWTXBENZACLC-INIZCTEOSA-N 2 0 373.501 0.883 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000415364510 245399917 /nfs/dbraw/zinc/39/99/17/245399917.db2.gz SGFULWMZSYJFGM-KRWDZBQOSA-N 2 0 373.501 0.570 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000374074273 217093004 /nfs/dbraw/zinc/09/30/04/217093004.db2.gz JKXUUNXNHBRQNM-UHFFFAOYSA-N 2 0 355.508 0.506 20 0 FCADRP COCC[C@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC[NH2+]C1 ZINC000374453867 217131246 /nfs/dbraw/zinc/13/12/46/217131246.db2.gz WBSPPIDJEYMRAV-HNAYVOBHSA-N 2 0 362.474 0.939 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415658998 245459162 /nfs/dbraw/zinc/45/91/62/245459162.db2.gz RODAQEPBJKIXGO-ZDUSSCGKSA-N 2 0 350.488 0.680 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000415733443 245481882 /nfs/dbraw/zinc/48/18/82/245481882.db2.gz XHFHRLOFVYAGQX-SFHVURJKSA-N 2 0 373.501 0.235 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415844910 245503034 /nfs/dbraw/zinc/50/30/34/245503034.db2.gz ZWQDFXSMOJIUDJ-SFHVURJKSA-N 2 0 374.485 0.758 20 0 FCADRP Cn1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1=O ZINC000182973028 209138462 /nfs/dbraw/zinc/13/84/62/209138462.db2.gz POMDFOKQFSOYEV-UHFFFAOYSA-N 2 0 365.478 0.056 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417378729 245689405 /nfs/dbraw/zinc/68/94/05/245689405.db2.gz FLONJCJIWGZKDB-MSOLQXFVSA-N 3 0 372.517 0.845 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417542279 245706752 /nfs/dbraw/zinc/70/67/52/245706752.db2.gz DKZDHGWKTOXAFR-YOEHRIQHSA-N 2 0 361.490 0.920 20 0 FCADRP C[C@@H](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000418017937 245745442 /nfs/dbraw/zinc/74/54/42/245745442.db2.gz HYMFCAGOOBOZKR-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000418610260 245803963 /nfs/dbraw/zinc/80/39/63/245803963.db2.gz GRHLESZSEKSVPA-AGIUHOORSA-N 2 0 351.417 0.449 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418612028 245803066 /nfs/dbraw/zinc/80/30/66/245803066.db2.gz IMBBAAOLPNUPTE-ZDUSSCGKSA-N 2 0 365.444 0.948 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418940895 245919460 /nfs/dbraw/zinc/91/94/60/245919460.db2.gz JTCCEWKCOQFZCB-DLBZAZTESA-N 2 0 362.474 0.199 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419027231 245946061 /nfs/dbraw/zinc/94/60/61/245946061.db2.gz ODJVJCQPXSAXPK-OAGGEKHMSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419128434 246003223 /nfs/dbraw/zinc/00/32/23/246003223.db2.gz WFRGFRNNDCPBFP-HZPDHXFCSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129259 246004647 /nfs/dbraw/zinc/00/46/47/246004647.db2.gz XXMWIFSUIJDCDG-IAGOWNOFSA-N 2 0 369.554 0.206 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419151142 246019789 /nfs/dbraw/zinc/01/97/89/246019789.db2.gz NDHSEYHILGBUGC-UONOGXRCSA-N 2 0 350.488 0.636 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000419159308 246024635 /nfs/dbraw/zinc/02/46/35/246024635.db2.gz XBIVJSNYWPTZDK-GVDBMIGSSA-N 2 0 352.523 0.914 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000419131348 246006430 /nfs/dbraw/zinc/00/64/30/246006430.db2.gz GSDNIMCFAIUARS-CQSZACIVSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419162020 246025756 /nfs/dbraw/zinc/02/57/56/246025756.db2.gz SVSDWCCQMNRFFG-ILXRZTDVSA-N 2 0 354.495 0.452 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000419136812 246011323 /nfs/dbraw/zinc/01/13/23/246011323.db2.gz PSNFJTIDLCAIPF-ZNMIVQPWSA-N 2 0 356.511 0.434 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419144152 246013514 /nfs/dbraw/zinc/01/35/14/246013514.db2.gz ZUIFRQNEORFHTB-UHFFFAOYSA-N 2 0 352.504 0.802 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419146834 246014847 /nfs/dbraw/zinc/01/48/47/246014847.db2.gz IQWJVHYNMRMQSS-KGLIPLIRSA-N 2 0 350.488 0.554 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419145118 246015618 /nfs/dbraw/zinc/01/56/18/246015618.db2.gz YEACDJWVIUSGCQ-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000419146793 246015869 /nfs/dbraw/zinc/01/58/69/246015869.db2.gz IMVGSEWVCYFXTJ-MRXNPFEDSA-N 2 0 364.515 0.930 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164495 246027651 /nfs/dbraw/zinc/02/76/51/246027651.db2.gz MCGLYMJKPFJINJ-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419168454 246030164 /nfs/dbraw/zinc/03/01/64/246030164.db2.gz SHONQCRICQIKTJ-ROUUACIJSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168995 246030593 /nfs/dbraw/zinc/03/05/93/246030593.db2.gz TXYUXXUKYUBUKA-MSOLQXFVSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419189548 246044393 /nfs/dbraw/zinc/04/43/93/246044393.db2.gz LQSXNIJBCGSXNQ-CRAIPNDOSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419211064 246057898 /nfs/dbraw/zinc/05/78/98/246057898.db2.gz YRPXAGZQMMWDDA-WBVHZDCISA-N 2 0 362.474 0.199 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000419214962 246059369 /nfs/dbraw/zinc/05/93/69/246059369.db2.gz NITLZYYVFLOZNH-DLBZAZTESA-N 2 0 374.485 0.311 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419213893 246060089 /nfs/dbraw/zinc/06/00/89/246060089.db2.gz WYNFTPISSCGDJT-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419217338 246061936 /nfs/dbraw/zinc/06/19/36/246061936.db2.gz QOJFMKUYOOKDFG-GJZGRUSLSA-N 2 0 362.474 0.248 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419198609 246048528 /nfs/dbraw/zinc/04/85/28/246048528.db2.gz CVTUQDYPTBOGSP-AEFFLSMTSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228599 246068540 /nfs/dbraw/zinc/06/85/40/246068540.db2.gz MLVAIFVONPNJSL-JZXOWHBKSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419235356 246069866 /nfs/dbraw/zinc/06/98/66/246069866.db2.gz YVQALCBVNNIEJG-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419238688 246073482 /nfs/dbraw/zinc/07/34/82/246073482.db2.gz DMPZZAVMOGSBDL-HOTGVXAUSA-N 2 0 360.502 0.937 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419253398 246077636 /nfs/dbraw/zinc/07/76/36/246077636.db2.gz UHBXSOMYGFTLMS-YQQAZPJKSA-N 2 0 358.486 0.819 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000419265820 246081735 /nfs/dbraw/zinc/08/17/35/246081735.db2.gz FIUVJGNQHMKIPV-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317835 246098745 /nfs/dbraw/zinc/09/87/45/246098745.db2.gz NESUVVKSLSBHEQ-BGIURUKPSA-N 2 0 374.460 0.820 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419370451 246121329 /nfs/dbraw/zinc/12/13/29/246121329.db2.gz HJZZJGUYWWTLEO-INIZCTEOSA-N 2 0 372.513 0.708 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419371677 246121716 /nfs/dbraw/zinc/12/17/16/246121716.db2.gz JJASVQJCQYLMHZ-MAUKXSAKSA-N 2 0 372.513 0.788 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H]1C[NH3+] ZINC000419372110 246122684 /nfs/dbraw/zinc/12/26/84/246122684.db2.gz KHGLQXWZFPKEMZ-QAPCUYQASA-N 2 0 372.513 0.788 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419373735 246122769 /nfs/dbraw/zinc/12/27/69/246122769.db2.gz MXVNARRPZRXOMT-YJBOKZPZSA-N 2 0 372.513 0.706 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375100 246123344 /nfs/dbraw/zinc/12/33/44/246123344.db2.gz QBONCPGRTPBSCI-MSOLQXFVSA-N 2 0 370.497 0.270 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419385206 246127055 /nfs/dbraw/zinc/12/70/55/246127055.db2.gz ACUOAQUTZXENBU-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000419386559 246127148 /nfs/dbraw/zinc/12/71/48/246127148.db2.gz DSUXAALEOWYNMN-OAHLLOKOSA-N 2 0 358.486 0.760 20 0 FCADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419414054 246146883 /nfs/dbraw/zinc/14/68/83/246146883.db2.gz DUVAURMXCLFXPY-SQNIBIBYSA-N 2 0 356.470 0.760 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419413609 246147435 /nfs/dbraw/zinc/14/74/35/246147435.db2.gz SFXJAEQXVUIZEE-FCEWJHQRSA-N 2 0 350.507 0.683 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419412429 246147878 /nfs/dbraw/zinc/14/78/78/246147878.db2.gz REFFMTONEOAEOV-ROUUACIJSA-N 2 0 358.486 0.793 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412858 246148071 /nfs/dbraw/zinc/14/80/71/246148071.db2.gz DMFGQSBOTAKRBC-ROUUACIJSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419414191 246148350 /nfs/dbraw/zinc/14/83/50/246148350.db2.gz SZBRCCILANBRRV-XHSDSOJGSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419417032 246149625 /nfs/dbraw/zinc/14/96/25/246149625.db2.gz HQBWCHMPYHEAOY-YYIAUSFCSA-N 2 0 352.523 0.975 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000419403801 246138176 /nfs/dbraw/zinc/13/81/76/246138176.db2.gz FDAXJRIVSMVROG-LJQANCHMSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000419415622 246150695 /nfs/dbraw/zinc/15/06/95/246150695.db2.gz VMBZMYDIUSBFBA-VQIMIIECSA-N 2 0 362.449 0.757 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404537 246139792 /nfs/dbraw/zinc/13/97/92/246139792.db2.gz TXRJKYYWXLIKRN-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419407950 246142420 /nfs/dbraw/zinc/14/24/20/246142420.db2.gz LALSANCJYGWWLP-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419430510 246158507 /nfs/dbraw/zinc/15/85/07/246158507.db2.gz VXPXZAPZYRCJJX-IXDOHACOSA-N 2 0 352.523 0.977 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419418280 246153186 /nfs/dbraw/zinc/15/31/86/246153186.db2.gz YCBFBJNTPXUJIZ-MSOLQXFVSA-N 2 0 374.485 0.044 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419420710 246153736 /nfs/dbraw/zinc/15/37/36/246153736.db2.gz KHYFDDDMOIPWRM-UHFFFAOYSA-N 2 0 356.470 0.587 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419514626 246188813 /nfs/dbraw/zinc/18/88/13/246188813.db2.gz PDTIUJOEPBRANO-QGZVFWFLSA-N 2 0 373.501 0.101 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419527792 246191564 /nfs/dbraw/zinc/19/15/64/246191564.db2.gz GMLVDFGQSFXVFX-YFHUEUNASA-N 2 0 358.486 0.832 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470501 246173182 /nfs/dbraw/zinc/17/31/82/246173182.db2.gz FLRXDFROEZVNAS-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528319 246193044 /nfs/dbraw/zinc/19/30/44/246193044.db2.gz CAMNZOGAIXQJNE-DLBZAZTESA-N 2 0 362.474 0.290 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419477799 246178827 /nfs/dbraw/zinc/17/88/27/246178827.db2.gz ITJNTQKWIMWQSD-NXOAAHMSSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419534171 246195187 /nfs/dbraw/zinc/19/51/87/246195187.db2.gz PYAQFHZNDYJCCX-BLIXFSHQSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537953 246195391 /nfs/dbraw/zinc/19/53/91/246195391.db2.gz WJCLRLMEVVDSBV-NQYYFHDYSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419536578 246196108 /nfs/dbraw/zinc/19/61/08/246196108.db2.gz USSMLGMSAMIVQZ-DDBAPUKQSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@@H+]1C ZINC000419560566 246202655 /nfs/dbraw/zinc/20/26/55/246202655.db2.gz RGJDGLYDUZNOIH-DFWHQEHRSA-N 2 0 362.518 0.855 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419665142 246236874 /nfs/dbraw/zinc/23/68/74/246236874.db2.gz SVYCWZLLDVUMMC-NXHRZFHOSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419664196 246237079 /nfs/dbraw/zinc/23/70/79/246237079.db2.gz RFXURAHLRUNSTN-OAHLLOKOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419665141 246237092 /nfs/dbraw/zinc/23/70/92/246237092.db2.gz SVYCWZLLDVUMMC-NJAFHUGGSA-N 2 0 374.485 0.342 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419679013 246246704 /nfs/dbraw/zinc/24/67/04/246246704.db2.gz FOPAYSDMCBDYSM-AWEZNQCLSA-N 2 0 354.520 0.332 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686954 246250638 /nfs/dbraw/zinc/25/06/38/246250638.db2.gz ONBCHBCOAMVEAP-UHFFFAOYSA-N 2 0 354.495 0.381 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)C1CCCC1 ZINC000419689185 246251128 /nfs/dbraw/zinc/25/11/28/246251128.db2.gz ACOSELILJTUPSL-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419705742 246260746 /nfs/dbraw/zinc/26/07/46/246260746.db2.gz BEQAKKAKWYJWMP-ZDUSSCGKSA-N 2 0 364.877 0.635 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419709933 246263688 /nfs/dbraw/zinc/26/36/88/246263688.db2.gz PMMRHOQEJBCWSF-KBAYOESNSA-N 2 0 374.485 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755981 246286043 /nfs/dbraw/zinc/28/60/43/246286043.db2.gz ADRWVJJFQCIDCD-QAPCUYQASA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000419766911 246290951 /nfs/dbraw/zinc/29/09/51/246290951.db2.gz ZMEVKWAAOBOXNC-GOEBONIOSA-N 2 0 364.465 0.817 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419773591 246293405 /nfs/dbraw/zinc/29/34/05/246293405.db2.gz ZSDNZLLOEBSJGD-ZWKOTPCHSA-N 2 0 358.486 0.881 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000419805282 246302130 /nfs/dbraw/zinc/30/21/30/246302130.db2.gz PYIUSKZGWUEOOU-UHFFFAOYSA-N 2 0 366.506 0.335 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419723096 246270875 /nfs/dbraw/zinc/27/08/75/246270875.db2.gz NMFVDQQYJJPXSG-CVEARBPZSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000419722711 246271000 /nfs/dbraw/zinc/27/10/00/246271000.db2.gz MVKDYZUUROVYPC-IYBDPMFKSA-N 2 0 358.486 0.976 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419870579 246340151 /nfs/dbraw/zinc/34/01/51/246340151.db2.gz OUYLWBMUQFQHBH-UHFFFAOYSA-N 2 0 367.538 0.026 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419828977 246310362 /nfs/dbraw/zinc/31/03/62/246310362.db2.gz UTZFYDQLXZHQHY-ROUUACIJSA-N 2 0 374.485 0.802 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419845938 246318965 /nfs/dbraw/zinc/31/89/65/246318965.db2.gz FWYIFABACLHGSM-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419856455 246326634 /nfs/dbraw/zinc/32/66/34/246326634.db2.gz FCCUNLJCYUFSCQ-INIZCTEOSA-N 2 0 368.428 0.709 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419855843 246326835 /nfs/dbraw/zinc/32/68/35/246326835.db2.gz XDHNMZJOSXNLBF-CALCHBBNSA-N 2 0 356.470 0.445 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419864740 246332049 /nfs/dbraw/zinc/33/20/49/246332049.db2.gz GBJHPGKLACVZIQ-BZUAXINKSA-N 2 0 354.495 0.332 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419912370 246365820 /nfs/dbraw/zinc/36/58/20/246365820.db2.gz LDKKDICOXCRUGF-QRQLOZEOSA-N 2 0 370.497 0.693 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419914950 246366797 /nfs/dbraw/zinc/36/67/97/246366797.db2.gz OOGWSNXYJZVPCQ-KRWDZBQOSA-N 2 0 358.486 0.837 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419924892 246371099 /nfs/dbraw/zinc/37/10/99/246371099.db2.gz NQLFTAKVFBOSCA-OALUTQOASA-N 2 0 370.497 0.835 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000419926669 246373955 /nfs/dbraw/zinc/37/39/55/246373955.db2.gz BOCJOIOXOJEGNG-AWEZNQCLSA-N 2 0 352.454 0.688 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419933519 246375627 /nfs/dbraw/zinc/37/56/27/246375627.db2.gz FFNIAIWZKYXYDZ-ARFHVFGLSA-N 2 0 368.522 0.306 20 0 FCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419882726 246348255 /nfs/dbraw/zinc/34/82/55/246348255.db2.gz MIXAGTFNRXRVNF-AWEZNQCLSA-N 2 0 352.504 0.897 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000419889294 246351857 /nfs/dbraw/zinc/35/18/57/246351857.db2.gz GWNNCNFTKOHTKQ-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419889182 246353145 /nfs/dbraw/zinc/35/31/45/246353145.db2.gz GSZRCENDAOPTBM-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419891122 246355192 /nfs/dbraw/zinc/35/51/92/246355192.db2.gz TZRLODYSSGQYHI-ZDUSSCGKSA-N 2 0 354.401 0.333 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972898 246395749 /nfs/dbraw/zinc/39/57/49/246395749.db2.gz ZYEZGBYMMMKCHP-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000419975673 246397464 /nfs/dbraw/zinc/39/74/64/246397464.db2.gz LLIVNSMHXXXPFM-INIZCTEOSA-N 2 0 352.454 0.815 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419974001 246397519 /nfs/dbraw/zinc/39/75/19/246397519.db2.gz IPYIFDFUPQRWLH-BQFCYCMXSA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420087429 246459172 /nfs/dbraw/zinc/45/91/72/246459172.db2.gz PQFLRCNMQZWHJJ-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420095325 246464326 /nfs/dbraw/zinc/46/43/26/246464326.db2.gz FSIOYSCBMVZJRG-SFHVURJKSA-N 2 0 356.470 0.993 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C[C@H](C)[NH2+]1 ZINC000423362876 247012276 /nfs/dbraw/zinc/01/22/76/247012276.db2.gz ILEHVTRCTBYCRE-KBPBESRZSA-N 2 0 352.504 0.847 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423368904 247013240 /nfs/dbraw/zinc/01/32/40/247013240.db2.gz OABTXQOBWFXJLL-OKILXGFUSA-N 2 0 350.488 0.316 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423372231 247013589 /nfs/dbraw/zinc/01/35/89/247013589.db2.gz ICMYISNCWFOIHL-SJLPKXTDSA-N 2 0 374.485 0.296 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000423368365 247013693 /nfs/dbraw/zinc/01/36/93/247013693.db2.gz NDMVHUDERLDHBA-HNNXBMFYSA-N 2 0 350.463 0.628 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@@H]1C[NH3+] ZINC000423375611 247014854 /nfs/dbraw/zinc/01/48/54/247014854.db2.gz UJDXXEFBZBJTAX-CABCVRRESA-N 2 0 350.463 0.613 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000423375614 247016172 /nfs/dbraw/zinc/01/61/72/247016172.db2.gz UJDXXEFBZBJTAX-LSDHHAIUSA-N 2 0 350.463 0.613 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558897 247051339 /nfs/dbraw/zinc/05/13/39/247051339.db2.gz LOCFGNXXQKFUND-RBUKOAKNSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423590995 247065897 /nfs/dbraw/zinc/06/58/97/247065897.db2.gz FEVQQBCJZIAJDH-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423595325 247067286 /nfs/dbraw/zinc/06/72/86/247067286.db2.gz PUVXWBXMGRZMMK-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000423599547 247067972 /nfs/dbraw/zinc/06/79/72/247067972.db2.gz YADHVPFTGBAAGC-SJLPKXTDSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000423598158 247068454 /nfs/dbraw/zinc/06/84/54/247068454.db2.gz VYZGXXLXSFEPML-MSOLQXFVSA-N 2 0 358.486 0.582 20 0 FCADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423440950 247027202 /nfs/dbraw/zinc/02/72/02/247027202.db2.gz IUUWMZOLUPGYRJ-QGZVFWFLSA-N 2 0 373.501 0.572 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000423440319 247027653 /nfs/dbraw/zinc/02/76/53/247027653.db2.gz INTJLKRJZIQOSQ-BRWVUGGUSA-N 2 0 368.522 0.389 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000423438213 247027831 /nfs/dbraw/zinc/02/78/31/247027831.db2.gz GZCPULTYTSFOHK-IXDOHACOSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423450745 247028984 /nfs/dbraw/zinc/02/89/84/247028984.db2.gz UDYHBBVSHHPGBR-GVDBMIGSSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000423473867 247033356 /nfs/dbraw/zinc/03/33/56/247033356.db2.gz QYCOLZMKGLSDAW-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000423467176 247033500 /nfs/dbraw/zinc/03/35/00/247033500.db2.gz AJSMXRHECXODNY-HNNXBMFYSA-N 2 0 362.474 0.406 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000423482462 247034811 /nfs/dbraw/zinc/03/48/11/247034811.db2.gz XUJASBVSELQZRM-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423684019 247108634 /nfs/dbraw/zinc/10/86/34/247108634.db2.gz HUVSSBDNBWFLQK-ZWKOTPCHSA-N 2 0 358.486 0.740 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423688435 247110177 /nfs/dbraw/zinc/11/01/77/247110177.db2.gz WUYUNNVHDONQPN-WBVHZDCISA-N 2 0 367.538 0.199 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[C@H]1C ZINC000423602966 247071100 /nfs/dbraw/zinc/07/11/00/247071100.db2.gz HRRAMPQCHZZCIE-CVEARBPZSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423605207 247073610 /nfs/dbraw/zinc/07/36/10/247073610.db2.gz JKMWAYDHGNQHJM-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423620324 247079737 /nfs/dbraw/zinc/07/97/37/247079737.db2.gz WNJLFGWXNRQRMG-OKZBNKHCSA-N 2 0 356.470 0.527 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649513 247092179 /nfs/dbraw/zinc/09/21/79/247092179.db2.gz PMDIMDUQDYNQGS-XLIONFOSSA-N 2 0 374.485 0.032 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423746790 247138247 /nfs/dbraw/zinc/13/82/47/247138247.db2.gz PPERUYUTSZERGO-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP COC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000423788927 247141125 /nfs/dbraw/zinc/14/11/25/247141125.db2.gz DUBUWUZOBBMLAI-LJQANCHMSA-N 2 0 353.507 0.964 20 0 FCADRP CN1CCO[C@@H](CN(CC2CC2)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423870343 247145346 /nfs/dbraw/zinc/14/53/46/247145346.db2.gz OVXRRXZLCCEQRL-GOSISDBHSA-N 2 0 352.523 0.759 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423701165 247116622 /nfs/dbraw/zinc/11/66/22/247116622.db2.gz WBCZNSUEOVEGFL-HZPDHXFCSA-N 2 0 355.527 0.057 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423723295 247125616 /nfs/dbraw/zinc/12/56/16/247125616.db2.gz HCXUDBNAFWPOCR-CVEARBPZSA-N 2 0 362.474 0.628 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423724836 247125790 /nfs/dbraw/zinc/12/57/90/247125790.db2.gz RWTGQSDMQMFQOK-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000423724445 247126818 /nfs/dbraw/zinc/12/68/18/247126818.db2.gz IEIHMBZVXZOWBR-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423725776 247128466 /nfs/dbraw/zinc/12/84/66/247128466.db2.gz SVKCDDYXORBNJX-NJAFHUGGSA-N 2 0 358.486 0.773 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423726464 247128638 /nfs/dbraw/zinc/12/86/38/247128638.db2.gz UGQNANHFXMRNJP-KFWWJZLASA-N 2 0 354.495 0.140 20 0 FCADRP CC[NH+](CC)CCN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000423727802 247128758 /nfs/dbraw/zinc/12/87/58/247128758.db2.gz KXXIQVOSFDYHSE-CVEARBPZSA-N 2 0 359.536 0.876 20 0 FCADRP CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000423736916 247132151 /nfs/dbraw/zinc/13/21/51/247132151.db2.gz ZISYBSBPOQFRCY-UHFFFAOYSA-N 2 0 358.486 0.659 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@@H]1C[NH3+] ZINC000423741749 247135684 /nfs/dbraw/zinc/13/56/84/247135684.db2.gz SWXWNXRRLNJSSC-GOEBONIOSA-N 2 0 354.495 0.141 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000423745018 247136397 /nfs/dbraw/zinc/13/63/97/247136397.db2.gz NEYIJVZCJSILHP-RDJZCZTQSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214715 247178821 /nfs/dbraw/zinc/17/88/21/247178821.db2.gz CYPJLAAOPRPZMT-SCTDSRPQSA-N 2 0 358.486 0.819 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CCN1C ZINC000424490987 247238398 /nfs/dbraw/zinc/23/83/98/247238398.db2.gz BKCNHKHZAVFUAI-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424442073 247216362 /nfs/dbraw/zinc/21/63/62/247216362.db2.gz USXOVMWWWCZXIE-HNNXBMFYSA-N 2 0 361.490 0.534 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540019 247255599 /nfs/dbraw/zinc/25/55/99/247255599.db2.gz FYAQBBLEAVSZFX-DSLXNQLJSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424539437 247255995 /nfs/dbraw/zinc/25/59/95/247255995.db2.gz FEISCRYXTGEMJZ-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425393652 247332848 /nfs/dbraw/zinc/33/28/48/247332848.db2.gz DMJZJTPFJGGCST-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CNS(=O)(=O)c1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433139695 247843136 /nfs/dbraw/zinc/84/31/36/247843136.db2.gz CGEDWKRYSVDEHG-UHFFFAOYSA-N 2 0 368.503 0.414 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000439202413 248114587 /nfs/dbraw/zinc/11/45/87/248114587.db2.gz FSRKGZRWGNSBTM-HOTGVXAUSA-N 2 0 354.495 0.236 20 0 FCADRP CN(C)c1ncc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1C ZINC000440982611 248230030 /nfs/dbraw/zinc/23/00/30/248230030.db2.gz ISPWZUGPPYONBR-UHFFFAOYSA-N 2 0 351.499 0.311 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253161 248244897 /nfs/dbraw/zinc/24/48/97/248244897.db2.gz AKXJDFIVTYXRNM-FGTMMUONSA-N 2 0 352.523 0.770 20 0 FCADRP COc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443512298 248330570 /nfs/dbraw/zinc/33/05/70/248330570.db2.gz SXQUHWSUIYWALA-XGUBFFRZSA-N 2 0 363.510 0.938 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)C1 ZINC000444168297 248349735 /nfs/dbraw/zinc/34/97/35/248349735.db2.gz NNBZSYOKNCJHFL-OPYAIIAOSA-N 2 0 370.497 1.000 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453758350 249364910 /nfs/dbraw/zinc/36/49/10/249364910.db2.gz RTONNTINAGRGAH-QGZVFWFLSA-N 2 0 362.474 0.604 20 0 FCADRP COC(=O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@H]1C ZINC000469999499 250018988 /nfs/dbraw/zinc/01/89/88/250018988.db2.gz LDBDLYQBUJYXJQ-YHUYYLMFSA-N 2 0 368.474 0.770 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470887288 250071125 /nfs/dbraw/zinc/07/11/25/250071125.db2.gz CARDWPCANYSVOG-IRXDYDNUSA-N 2 0 365.522 0.701 20 0 FCADRP C[NH+](C)CCOCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000471656999 250113505 /nfs/dbraw/zinc/11/35/05/250113505.db2.gz GDJFKIQRQCGEDF-UHFFFAOYSA-N 2 0 356.511 0.851 20 0 FCADRP CN(C(=O)C(C)(C)C(F)F)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000472093013 250129565 /nfs/dbraw/zinc/12/95/65/250129565.db2.gz IWGJTSYGONJXRP-UHFFFAOYSA-N 2 0 374.476 0.975 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000269953754 211125066 /nfs/dbraw/zinc/12/50/66/211125066.db2.gz YXBARPMPNCGDGK-IBGZPJMESA-N 2 0 366.506 0.781 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269953755 211124941 /nfs/dbraw/zinc/12/49/41/211124941.db2.gz YXBARPMPNCGDGK-LJQANCHMSA-N 2 0 366.506 0.781 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000472671315 250171330 /nfs/dbraw/zinc/17/13/30/250171330.db2.gz PLMPUKJFZIHSBZ-UHFFFAOYSA-N 2 0 355.504 0.873 20 0 FCADRP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)CN1CC[NH+](C)CC1 ZINC000472679017 250172432 /nfs/dbraw/zinc/17/24/32/250172432.db2.gz RYPGXOGHUOKQEL-MRXNPFEDSA-N 2 0 368.547 0.910 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000473935605 250257552 /nfs/dbraw/zinc/25/75/52/250257552.db2.gz BTUGZDFEQPGSJN-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000481132413 250318003 /nfs/dbraw/zinc/31/80/03/250318003.db2.gz FBKCUPFKJVQYGW-QKPAOTATSA-N 2 0 350.507 0.964 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000482540815 250393639 /nfs/dbraw/zinc/39/36/39/250393639.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 2 0 367.582 0.400 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC[N@@H+]1C ZINC000947072219 674144734 /nfs/dbraw/zinc/14/47/34/674144734.db2.gz BPEIAZZKZBAEPD-XYPHTWIQSA-N 2 0 350.507 0.774 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+](C)C1 ZINC000413075482 532991222 /nfs/dbraw/zinc/99/12/22/532991222.db2.gz PPHRZYFXJMTQGC-BZUAXINKSA-N 2 0 370.494 0.232 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413111560 532995258 /nfs/dbraw/zinc/99/52/58/532995258.db2.gz UGXCRVQSGTTZIY-BZUAXINKSA-N 2 0 354.495 0.853 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110239827 208265978 /nfs/dbraw/zinc/26/59/78/208265978.db2.gz OMGLYQOPLXXKEJ-CQSZACIVSA-N 2 0 352.479 0.797 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000112214475 208290491 /nfs/dbraw/zinc/29/04/91/208290491.db2.gz YKWQVUYGWWIWCO-KRWDZBQOSA-N 2 0 368.522 0.851 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000117485401 208345065 /nfs/dbraw/zinc/34/50/65/208345065.db2.gz IRBFSLXGMZFFHO-ZWKOTPCHSA-N 2 0 367.538 0.517 20 0 FCADRP CN1CCN(C(=O)CN2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655181 208387482 /nfs/dbraw/zinc/38/74/82/208387482.db2.gz JKMLIPWPCQDMGT-INIZCTEOSA-N 2 0 360.506 0.958 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000120779987 208391000 /nfs/dbraw/zinc/39/10/00/208391000.db2.gz YRGROOQQAJSFEV-HKUYNNGSSA-N 2 0 364.490 0.672 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC000177411841 209023637 /nfs/dbraw/zinc/02/36/37/209023637.db2.gz QWMNTDFHXPXMMS-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000177890883 209037829 /nfs/dbraw/zinc/03/78/29/209037829.db2.gz GYMLDKHJRBWLPV-QGZVFWFLSA-N 2 0 365.522 0.810 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)N1CCN(Cc2ccco2)CC1 ZINC000178879567 209063701 /nfs/dbraw/zinc/06/37/01/209063701.db2.gz SBRXPVCCVSOWHO-KRWDZBQOSA-N 2 0 372.473 0.928 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000413069163 533476965 /nfs/dbraw/zinc/47/69/65/533476965.db2.gz YNPWSPFYXFWOHW-INIZCTEOSA-N 2 0 354.495 0.855 20 0 FCADRP c1nc(NCC[NH+]2CCCOCC2)cc(NCC[N@@H+]2CCCOCC2)n1 ZINC000188499485 229250255 /nfs/dbraw/zinc/25/02/55/229250255.db2.gz PNIGYPQTKFFUBA-UHFFFAOYSA-N 2 0 364.494 0.745 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410436945 230079810 /nfs/dbraw/zinc/07/98/10/230079810.db2.gz RXUFOWMICSEOCL-IAGOWNOFSA-N 2 0 364.490 0.028 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410718910 230211115 /nfs/dbraw/zinc/21/11/15/230211115.db2.gz ZYQMORSEZWVVEQ-ZWKOTPCHSA-N 2 0 360.502 0.936 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000410924096 230306579 /nfs/dbraw/zinc/30/65/79/230306579.db2.gz CTMPMAMYBCQGHR-SFHVURJKSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000934259885 674289185 /nfs/dbraw/zinc/28/91/85/674289185.db2.gz LCJAFAYKALBWQF-ZWKOTPCHSA-N 2 0 352.523 0.506 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000934259884 674289246 /nfs/dbraw/zinc/28/92/46/674289246.db2.gz LCJAFAYKALBWQF-ROUUACIJSA-N 2 0 352.523 0.506 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)COC2CC[NH+](C)CC2)ccn1 ZINC000935148583 674308571 /nfs/dbraw/zinc/30/85/71/674308571.db2.gz HYCXMXZKKVJMGC-UHFFFAOYSA-N 2 0 350.463 0.749 20 0 FCADRP O=C(NCc1ccn2ccnc2c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363858925 488893243 /nfs/dbraw/zinc/89/32/43/488893243.db2.gz MWKYCEUFNRSLHN-KRWDZBQOSA-N 2 0 372.473 0.540 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000287801182 488907720 /nfs/dbraw/zinc/90/77/20/488907720.db2.gz OMVJSQDDTBFXKG-UHFFFAOYSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000569801553 491193110 /nfs/dbraw/zinc/19/31/10/491193110.db2.gz DBXFCWPIXKNSSP-QGZVFWFLSA-N 2 0 363.462 0.869 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000073619137 488385483 /nfs/dbraw/zinc/38/54/83/488385483.db2.gz IPEQXJWSBPLWHA-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000074657067 488393264 /nfs/dbraw/zinc/39/32/64/488393264.db2.gz DCSAWJWIMCASFU-ZWKOTPCHSA-N 2 0 369.554 0.622 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864120 488394375 /nfs/dbraw/zinc/39/43/75/488394375.db2.gz WYKVGZZAJFPHHV-OAHLLOKOSA-N 2 0 364.498 0.566 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000077817452 488418112 /nfs/dbraw/zinc/41/81/12/488418112.db2.gz QSMXGANOVIOHEC-KRWDZBQOSA-N 2 0 373.501 0.440 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nnnn1-c1ccccc1 ZINC000077831989 488418736 /nfs/dbraw/zinc/41/87/36/488418736.db2.gz CJLCIAMQNNKPRH-HNNXBMFYSA-N 2 0 374.493 0.858 20 0 FCADRP Cc1nccn1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000268891299 488455536 /nfs/dbraw/zinc/45/55/36/488455536.db2.gz IUJYBGOLLZPBPP-MRXNPFEDSA-N 2 0 362.478 0.530 20 0 FCADRP CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000245950283 488468328 /nfs/dbraw/zinc/46/83/28/488468328.db2.gz YLANQCBGLQPBOY-LZLYRXPVSA-N 2 0 368.522 0.402 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246003406 488468809 /nfs/dbraw/zinc/46/88/09/488468809.db2.gz YPGDUZNCRJOCAS-KBPBESRZSA-N 2 0 351.451 0.535 20 0 FCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044807 488480328 /nfs/dbraw/zinc/48/03/28/488480328.db2.gz OLSGNXIGYHTLFN-DLBZAZTESA-N 2 0 360.506 0.835 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288102 488486915 /nfs/dbraw/zinc/48/69/15/488486915.db2.gz JQJRKXHUVLFTQA-MOPGFXCFSA-N 2 0 360.502 0.860 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269301893 488489351 /nfs/dbraw/zinc/48/93/51/488489351.db2.gz RCQPXJVYISYGCX-GOSISDBHSA-N 2 0 362.474 0.630 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000102049782 488497315 /nfs/dbraw/zinc/49/73/15/488497315.db2.gz PIOZWNRWZLCFEX-DOTOQJQBSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000103211431 488500026 /nfs/dbraw/zinc/50/00/26/488500026.db2.gz MBQBNHRJTMTBJT-HOTGVXAUSA-N 2 0 366.506 0.504 20 0 FCADRP CC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104788525 488505911 /nfs/dbraw/zinc/50/59/11/488505911.db2.gz GQQFBGPINRKKLV-MRXNPFEDSA-N 2 0 353.511 0.605 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104786756 488506150 /nfs/dbraw/zinc/50/61/50/488506150.db2.gz BYCRTXFPFRGCIW-MRXNPFEDSA-N 2 0 367.538 0.993 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000105321647 488508900 /nfs/dbraw/zinc/50/89/00/488508900.db2.gz AFJKDVONPGWBPE-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000554462045 491204313 /nfs/dbraw/zinc/20/43/13/491204313.db2.gz UGMJRGQCSLJDJW-UXLLHSPISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000106383097 488513795 /nfs/dbraw/zinc/51/37/95/488513795.db2.gz PXXZBJZGNQXMBB-ZHALLVOQSA-N 2 0 355.523 0.501 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000108463415 488519652 /nfs/dbraw/zinc/51/96/52/488519652.db2.gz GAEORKMDILNVQT-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000261768792 488535214 /nfs/dbraw/zinc/53/52/14/488535214.db2.gz WRGPAUJRPHHQQV-AWEZNQCLSA-N 2 0 351.447 0.999 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000261796551 488536444 /nfs/dbraw/zinc/53/64/44/488536444.db2.gz ZLUCORGPEJFALY-GVDBMIGSSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261799752 488536535 /nfs/dbraw/zinc/53/65/35/488536535.db2.gz IUXHQWXIPRSERD-TWMKSMIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676370 488537549 /nfs/dbraw/zinc/53/75/49/488537549.db2.gz IUXVVCZDUWZODD-SWLSCSKDSA-N 2 0 354.476 0.324 20 0 FCADRP C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676373 488537690 /nfs/dbraw/zinc/53/76/90/488537690.db2.gz IUXVVCZDUWZODD-WFASDCNBSA-N 2 0 354.476 0.324 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843864 488537865 /nfs/dbraw/zinc/53/78/65/488537865.db2.gz PSYLXRPZWHSTMW-GOEBONIOSA-N 2 0 369.307 0.985 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114587404 488541810 /nfs/dbraw/zinc/54/18/10/488541810.db2.gz OLFPDCGLSSEVSB-GOSISDBHSA-N 2 0 369.554 0.408 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114602666 488541896 /nfs/dbraw/zinc/54/18/96/488541896.db2.gz VWVNHBVABMRXTB-QZTJIDSGSA-N 2 0 367.538 0.255 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000262029784 488546974 /nfs/dbraw/zinc/54/69/74/488546974.db2.gz BIYCJHKTTKVGLV-HOCLYGCPSA-N 2 0 359.536 0.780 20 0 FCADRP O=C(CC[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1)N1CC[NH2+]CC1 ZINC000262044086 488547917 /nfs/dbraw/zinc/54/79/17/488547917.db2.gz HUXJDXZQOPTRHA-UHFFFAOYSA-N 2 0 371.485 0.548 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262059486 488548588 /nfs/dbraw/zinc/54/85/88/488548588.db2.gz ATHANBQENDTQSY-UHFFFAOYSA-N 2 0 363.506 0.967 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000117485404 488551304 /nfs/dbraw/zinc/55/13/04/488551304.db2.gz IRBFSLXGMZFFHO-ROUUACIJSA-N 2 0 367.538 0.517 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000569945705 491205647 /nfs/dbraw/zinc/20/56/47/491205647.db2.gz JWNOSJZZHOARKV-GOSISDBHSA-N 2 0 373.501 0.863 20 0 FCADRP CC[NH+]1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000119559465 488557524 /nfs/dbraw/zinc/55/75/24/488557524.db2.gz HELKDKOZLOFVGP-IYBDPMFKSA-N 2 0 370.563 0.921 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262344960 488564952 /nfs/dbraw/zinc/56/49/52/488564952.db2.gz IHWXQYLRTPLDFS-UHFFFAOYSA-N 2 0 353.488 0.896 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1)[C@@H]1CCC[NH2+]1 ZINC000122013286 488573851 /nfs/dbraw/zinc/57/38/51/488573851.db2.gz IVGMXPHDIMPPOZ-ZYSHUDEJSA-N 2 0 370.497 0.980 20 0 FCADRP [NH3+]C1(CNC(=O)COC2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000569969990 491207044 /nfs/dbraw/zinc/20/70/44/491207044.db2.gz PLXSQAYQTBRYJZ-UHFFFAOYSA-N 3 0 360.502 0.865 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000262598831 488579904 /nfs/dbraw/zinc/57/99/04/488579904.db2.gz WNYZKFKZTYEFNH-MWDXBVQZSA-N 2 0 350.507 0.905 20 0 FCADRP O=C1[C@H]2COCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272443214 488581465 /nfs/dbraw/zinc/58/14/65/488581465.db2.gz OOAXJWRIISLKDF-MRXNPFEDSA-N 2 0 359.430 0.257 20 0 FCADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262740949 488589276 /nfs/dbraw/zinc/58/92/76/488589276.db2.gz JHUGWMMYGLLLNR-KRWDZBQOSA-N 2 0 361.490 0.992 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cn1 ZINC000262966540 488601234 /nfs/dbraw/zinc/60/12/34/488601234.db2.gz LJCFNCQRZLKASD-PBHICJAKSA-N 2 0 350.467 0.407 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316040 488616294 /nfs/dbraw/zinc/61/62/94/488616294.db2.gz VCQKKAVBDYZQEO-CVEARBPZSA-N 2 0 363.506 0.561 20 0 FCADRP COC[C@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000127364145 488616338 /nfs/dbraw/zinc/61/63/38/488616338.db2.gz RPPGXGYQYOSQMF-LJQANCHMSA-N 2 0 363.502 0.954 20 0 FCADRP COC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000563076886 491213317 /nfs/dbraw/zinc/21/33/17/491213317.db2.gz KDRMUSNPRBGYGC-HXUWFJFHSA-N 2 0 361.486 0.886 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000130528755 488637990 /nfs/dbraw/zinc/63/79/90/488637990.db2.gz AWAZFKBFKIKVEM-VWLOTQADSA-N 2 0 368.503 0.314 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000130527624 488638180 /nfs/dbraw/zinc/63/81/80/488638180.db2.gz OIOXLTZAKWJEOK-UHFFFAOYSA-N 2 0 360.380 0.994 20 0 FCADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000132028502 488650088 /nfs/dbraw/zinc/65/00/88/488650088.db2.gz NNUCPMGSKOVTGY-OAHLLOKOSA-N 2 0 362.474 0.554 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136247229 488676954 /nfs/dbraw/zinc/67/69/54/488676954.db2.gz JQAADNHUXCEMGE-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136413821 488677665 /nfs/dbraw/zinc/67/76/65/488677665.db2.gz QUKNDVOKKUQQHG-UHFFFAOYSA-N 2 0 363.506 0.779 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000136826639 488679035 /nfs/dbraw/zinc/67/90/35/488679035.db2.gz JBYZPTZFIWBXAT-KRWDZBQOSA-N 2 0 365.522 0.666 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137021772 488679544 /nfs/dbraw/zinc/67/95/44/488679544.db2.gz PGJWZEXMCWLVRT-UHFFFAOYSA-N 2 0 363.506 0.732 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137120992 488680082 /nfs/dbraw/zinc/68/00/82/488680082.db2.gz YLZKMLRSSCKIQB-IRXDYDNUSA-N 2 0 365.522 0.666 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000563113946 491216935 /nfs/dbraw/zinc/21/69/35/491216935.db2.gz XHJLLQFUISXFTQ-MIGQKNRLSA-N 2 0 351.495 0.353 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000139958396 488686185 /nfs/dbraw/zinc/68/61/85/488686185.db2.gz FBLKFSBBCGZASQ-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H](CNC(=O)Cc1ccc(CC(=O)NC[C@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000274199139 488689880 /nfs/dbraw/zinc/68/98/80/488689880.db2.gz RHIKFZLEIAMZMU-IYBDPMFKSA-N 2 0 362.518 0.904 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151157777 488702411 /nfs/dbraw/zinc/70/24/11/488702411.db2.gz RMROTVUAWAIAPO-CQSZACIVSA-N 2 0 350.467 0.374 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCCC1 ZINC000151736398 488709046 /nfs/dbraw/zinc/70/90/46/488709046.db2.gz VLAPEBVCFMORFW-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000274542272 488718144 /nfs/dbraw/zinc/71/81/44/488718144.db2.gz CGPDQHJXKJCSAN-QGZVFWFLSA-N 2 0 352.479 0.911 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC000153158213 488727484 /nfs/dbraw/zinc/72/74/84/488727484.db2.gz KOMNZDYZQUDTLZ-CQSZACIVSA-N 2 0 366.510 0.866 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCC2(O)CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000266773340 488728560 /nfs/dbraw/zinc/72/85/60/488728560.db2.gz ITDPKEAUMREMGP-UHFFFAOYSA-N 2 0 360.502 0.842 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000153326595 488730248 /nfs/dbraw/zinc/73/02/48/488730248.db2.gz JUBXYERLTVATJK-UHFFFAOYSA-N 2 0 369.554 0.501 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000154809077 488747539 /nfs/dbraw/zinc/74/75/39/488747539.db2.gz KMHASMAODKQHFL-UHFFFAOYSA-N 2 0 350.463 0.894 20 0 FCADRP C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)(C)C[NH+](C)C ZINC000155019335 488749953 /nfs/dbraw/zinc/74/99/53/488749953.db2.gz SKCLYUKQHPAPRD-ZDUSSCGKSA-N 2 0 352.483 0.476 20 0 FCADRP CC[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[NH+](C)C ZINC000155317218 488754050 /nfs/dbraw/zinc/75/40/50/488754050.db2.gz SNSJAGJNLQCMAX-OAHLLOKOSA-N 2 0 362.478 0.302 20 0 FCADRP C[N@@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000158230260 488776221 /nfs/dbraw/zinc/77/62/21/488776221.db2.gz WPGGPAILKGUQJP-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563151961 491222040 /nfs/dbraw/zinc/22/20/40/491222040.db2.gz BJAHOTHETDJQQO-IRXDYDNUSA-N 2 0 366.506 0.252 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000167702204 488812180 /nfs/dbraw/zinc/81/21/80/488812180.db2.gz VFMHTPHJZKJZJE-LJQANCHMSA-N 2 0 360.502 0.641 20 0 FCADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000172827820 488838612 /nfs/dbraw/zinc/83/86/12/488838612.db2.gz PXLDPLPWPDPQAZ-UHFFFAOYSA-N 2 0 360.506 0.789 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173147811 488841293 /nfs/dbraw/zinc/84/12/93/488841293.db2.gz JYAXXSDHZXLEJU-MRXNPFEDSA-N 2 0 356.511 0.755 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969409 488852447 /nfs/dbraw/zinc/85/24/47/488852447.db2.gz LWWGJCWVLVBJBS-AWEZNQCLSA-N 2 0 362.478 0.097 20 0 FCADRP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176339285 488858173 /nfs/dbraw/zinc/85/81/73/488858173.db2.gz KGHPCKZYVQQGEA-ROUUACIJSA-N 2 0 367.538 0.234 20 0 FCADRP COCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000288364171 488974391 /nfs/dbraw/zinc/97/43/91/488974391.db2.gz OHKSFGBJIRELQW-INIZCTEOSA-N 2 0 361.446 0.551 20 0 FCADRP COCC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000279942145 488976163 /nfs/dbraw/zinc/97/61/63/488976163.db2.gz RMEDWWUXSAADHN-UHFFFAOYSA-N 2 0 374.529 0.937 20 0 FCADRP C[NH+]1CCCN(C(=O)c2cncc(C(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000329330390 488994431 /nfs/dbraw/zinc/99/44/31/488994431.db2.gz LSKLTIXOKCHYKV-UHFFFAOYSA-N 2 0 359.474 0.637 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288613133 488997426 /nfs/dbraw/zinc/99/74/26/488997426.db2.gz RBFSGSNWYDKGKV-GOSISDBHSA-N 2 0 372.513 0.802 20 0 FCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389221 489000210 /nfs/dbraw/zinc/00/02/10/489000210.db2.gz UJCHWUDEZNBRRY-ZIAGYGMSSA-N 2 0 362.478 0.238 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000364909409 489016647 /nfs/dbraw/zinc/01/66/47/489016647.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000570268558 491228897 /nfs/dbraw/zinc/22/88/97/491228897.db2.gz JIBBTRHTXPZGAI-IYWMVGAKSA-N 2 0 364.486 0.037 20 0 FCADRP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2C)nc1 ZINC000330115062 489070537 /nfs/dbraw/zinc/07/05/37/489070537.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 0 359.474 0.634 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000570294894 491231435 /nfs/dbraw/zinc/23/14/35/491231435.db2.gz XHUKAWUNKXHERU-IPYPFGDCSA-N 2 0 350.488 0.725 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000289673891 489085254 /nfs/dbraw/zinc/08/52/54/489085254.db2.gz DGUOCCPBORLLRH-DOTOQJQBSA-N 2 0 362.474 0.594 20 0 FCADRP CCN1CCO[C@@H](C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000365695682 489101555 /nfs/dbraw/zinc/10/15/55/489101555.db2.gz KPPWOXSGYLVEQB-GOSISDBHSA-N 2 0 365.474 0.973 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCO2 ZINC000290297646 489128758 /nfs/dbraw/zinc/12/87/58/489128758.db2.gz DTYRKNWHEVGYSQ-UHFFFAOYSA-N 2 0 356.430 0.613 20 0 FCADRP C[C@@H]1OCC[C@]12CN(C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)CCO2 ZINC000366308388 489169224 /nfs/dbraw/zinc/16/92/24/489169224.db2.gz HLTWTGRFNZARMR-FCEWJHQRSA-N 2 0 366.506 0.744 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491146 489188685 /nfs/dbraw/zinc/18/86/85/489188685.db2.gz DOBSQUGECDVMJE-JFIYKMOQSA-N 2 0 362.518 0.872 20 0 FCADRP COCCOC[C@@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000295399013 489192610 /nfs/dbraw/zinc/19/26/10/489192610.db2.gz WAGJUZYDWJYRDD-FQEVSTJZSA-N 2 0 365.518 0.760 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297503430 489204703 /nfs/dbraw/zinc/20/47/03/489204703.db2.gz MQPHSFXWQQFZNV-QGZVFWFLSA-N 2 0 370.457 0.782 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccco1 ZINC000283031172 489208592 /nfs/dbraw/zinc/20/85/92/489208592.db2.gz IVBQOKLVIOWYMK-UHFFFAOYSA-N 2 0 371.441 0.619 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332748597 489224568 /nfs/dbraw/zinc/22/45/68/489224568.db2.gz HODJGJZROPGGCN-IRXDYDNUSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000283241073 489232152 /nfs/dbraw/zinc/23/21/52/489232152.db2.gz PUYGHOHXERLVMW-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332855206 489239353 /nfs/dbraw/zinc/23/93/53/489239353.db2.gz YVYCZJOPXXUUQO-SQNIBIBYSA-N 2 0 367.538 0.299 20 0 FCADRP COc1nccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000297807349 489244013 /nfs/dbraw/zinc/24/40/13/489244013.db2.gz IHSDKXGDLKHHIS-UHFFFAOYSA-N 2 0 366.466 0.156 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCn1c(C)nc2ccccc21 ZINC000283351116 489248138 /nfs/dbraw/zinc/24/81/38/489248138.db2.gz DTAYFSRXQHQKFL-UHFFFAOYSA-N 2 0 361.446 0.155 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)NCC[NH+](C)C ZINC000563402557 491242643 /nfs/dbraw/zinc/24/26/43/491242643.db2.gz BBUBLCWWWBFEKG-DZGCQCFKSA-N 2 0 356.536 0.386 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000283640782 489285363 /nfs/dbraw/zinc/28/53/63/489285363.db2.gz YMOROARKFCWZGP-WMLDXEAASA-N 2 0 364.490 0.871 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000370125695 489317864 /nfs/dbraw/zinc/31/78/64/489317864.db2.gz JTHNIIPMKQXKLT-KZNAEPCWSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC000285859191 489327350 /nfs/dbraw/zinc/32/73/50/489327350.db2.gz IMDZRFSLCKTVLK-GFCCVEGCSA-N 2 0 365.865 0.812 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286069432 489352891 /nfs/dbraw/zinc/35/28/91/489352891.db2.gz MEIRCHSMJOGFBV-GOSISDBHSA-N 2 0 372.517 0.100 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000370468417 489362873 /nfs/dbraw/zinc/36/28/73/489362873.db2.gz ILRDDUPNYBKGCT-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[NH+](C)C ZINC000299033544 489398081 /nfs/dbraw/zinc/39/80/81/489398081.db2.gz WFCTXZCKCNPILM-OAHLLOKOSA-N 2 0 361.490 0.833 20 0 FCADRP CCN1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000299465359 489444605 /nfs/dbraw/zinc/44/46/05/489444605.db2.gz DLAAQFRCCGMKIV-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP CCCNC(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299466968 489444866 /nfs/dbraw/zinc/44/48/66/489444866.db2.gz BRYRUWXSVYDJIQ-UHFFFAOYSA-N 2 0 362.478 0.419 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063926 489447562 /nfs/dbraw/zinc/44/75/62/489447562.db2.gz NDTXIPDVSMSRRJ-SJORKVTESA-N 2 0 352.479 0.356 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000563570802 491255592 /nfs/dbraw/zinc/25/55/92/491255592.db2.gz XUCAWYXDHWZIGC-KRWDZBQOSA-N 2 0 365.522 0.572 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000570651382 491255674 /nfs/dbraw/zinc/25/56/74/491255674.db2.gz QIYPJFJVRLULEX-MSOLQXFVSA-N 2 0 373.501 0.982 20 0 FCADRP CC[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000363517670 489474795 /nfs/dbraw/zinc/47/47/95/489474795.db2.gz MCTWSRMIOVPSHT-UHFFFAOYSA-N 2 0 370.563 0.828 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578478 489480767 /nfs/dbraw/zinc/48/07/67/489480767.db2.gz OIJYJHJNEXQORU-MSOLQXFVSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587959 489489417 /nfs/dbraw/zinc/48/94/17/489489417.db2.gz IMHQSNCNSGHBCQ-WMZOPIPTSA-N 2 0 365.522 0.343 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657823 489493346 /nfs/dbraw/zinc/49/33/46/489493346.db2.gz NDLSISJSEUKYEL-IRXDYDNUSA-N 2 0 365.522 0.176 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423128513 489495644 /nfs/dbraw/zinc/49/56/44/489495644.db2.gz KTGMFUJWTWQJGS-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423157376 489497512 /nfs/dbraw/zinc/49/75/12/489497512.db2.gz ARTNVKMVRWLWIU-INIZCTEOSA-N 2 0 350.438 0.536 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000423165167 489498672 /nfs/dbraw/zinc/49/86/72/489498672.db2.gz APBBRZUNULBWHG-ZBFHGGJFSA-N 2 0 364.490 0.922 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000423164745 489498702 /nfs/dbraw/zinc/49/87/02/489498702.db2.gz AABOOPRFNZMUCW-GJZGRUSLSA-N 2 0 350.463 0.674 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423193065 489501158 /nfs/dbraw/zinc/50/11/58/489501158.db2.gz WJYPAPBGNCBAJX-WBVHZDCISA-N 2 0 368.522 0.530 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC000423199224 489501931 /nfs/dbraw/zinc/50/19/31/489501931.db2.gz AWXPMKXBRONEHV-GASCZTMLSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201016 489501936 /nfs/dbraw/zinc/50/19/36/489501936.db2.gz GYVXYMGKWSTZKV-GDBMZVCRSA-N 2 0 354.520 0.929 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423202734 489501999 /nfs/dbraw/zinc/50/19/99/489501999.db2.gz LDXIIPHDYYOALM-GOEBONIOSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423203715 489502009 /nfs/dbraw/zinc/50/20/09/489502009.db2.gz NAMRMSJUJLBWTI-MRXNPFEDSA-N 2 0 350.438 0.666 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423207126 489502641 /nfs/dbraw/zinc/50/26/41/489502641.db2.gz RBXPAQATIOHNHO-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423240086 489506490 /nfs/dbraw/zinc/50/64/90/489506490.db2.gz KFVAVQXVDCZANK-XOKHGSTOSA-N 2 0 362.449 0.631 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC000423258181 489507725 /nfs/dbraw/zinc/50/77/25/489507725.db2.gz LNIJENXSHFJBBJ-SFHVURJKSA-N 2 0 360.502 0.953 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423258445 489508045 /nfs/dbraw/zinc/50/80/45/489508045.db2.gz MCRPJWISYDFZOY-OALUTQOASA-N 2 0 372.513 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000415468263 489523887 /nfs/dbraw/zinc/52/38/87/489523887.db2.gz VPEOCUMABSRDFC-CRAIPNDOSA-N 2 0 373.501 0.568 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415511717 489526424 /nfs/dbraw/zinc/52/64/24/489526424.db2.gz QUBJNEKWZVQUAI-NSHDSACASA-N 2 0 356.854 0.930 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415544088 489527754 /nfs/dbraw/zinc/52/77/54/489527754.db2.gz STCIDONZKHCBHC-DOTOQJQBSA-N 2 0 373.501 0.568 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000415549583 489528567 /nfs/dbraw/zinc/52/85/67/489528567.db2.gz TUNANBLDLRCYGG-UHFFFAOYSA-N 2 0 361.490 0.440 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CC1 ZINC000415681671 489541352 /nfs/dbraw/zinc/54/13/52/489541352.db2.gz ABPJFAXOVSEXBA-FQEVSTJZSA-N 2 0 373.501 0.964 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CC1 ZINC000415687494 489541686 /nfs/dbraw/zinc/54/16/86/489541686.db2.gz ISNCHXORMCYFLG-FQEVSTJZSA-N 2 0 373.501 0.570 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)n1 ZINC000415713493 489544721 /nfs/dbraw/zinc/54/47/21/489544721.db2.gz TXLJVFFIFCBVQD-UHFFFAOYSA-N 2 0 364.494 0.751 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415727629 489546738 /nfs/dbraw/zinc/54/67/38/489546738.db2.gz QTLRHAATIFFILC-KRWDZBQOSA-N 2 0 373.501 0.501 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415758203 489550685 /nfs/dbraw/zinc/55/06/85/489550685.db2.gz HEBWJVJIGACVEA-OAHLLOKOSA-N 2 0 368.441 1.054 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000415782159 489552557 /nfs/dbraw/zinc/55/25/57/489552557.db2.gz KMWQNZMABXTLCA-HNNXBMFYSA-N 2 0 361.490 0.929 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1OCC[NH+](C)C ZINC000415791005 489553279 /nfs/dbraw/zinc/55/32/79/489553279.db2.gz QEZNMYNGUBTKCU-ZDUSSCGKSA-N 2 0 372.416 0.973 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(OCC[NH+](C)C)c1 ZINC000415818375 489555454 /nfs/dbraw/zinc/55/54/54/489555454.db2.gz SZUJVMXZQKNELW-ZBFHGGJFSA-N 2 0 360.458 0.694 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415827225 489556509 /nfs/dbraw/zinc/55/65/09/489556509.db2.gz COVHLYRTGZYREO-KRWDZBQOSA-N 2 0 362.474 0.962 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000415964458 489566615 /nfs/dbraw/zinc/56/66/15/489566615.db2.gz SQMAUUCJDOAKLG-HIFRSBDPSA-N 2 0 374.489 0.607 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000415964453 489566709 /nfs/dbraw/zinc/56/67/09/489566709.db2.gz SQMAUUCJDOAKLG-DZGCQCFKSA-N 2 0 374.489 0.607 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)C ZINC000555661760 491263270 /nfs/dbraw/zinc/26/32/70/491263270.db2.gz QITYPGXSEHAZPK-UHFFFAOYSA-N 2 0 370.538 0.791 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426550022 489574557 /nfs/dbraw/zinc/57/45/57/489574557.db2.gz VNRGSMIUZXRKLY-JKSUJKDBSA-N 2 0 354.495 0.120 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2nccn2C)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000570786189 491264529 /nfs/dbraw/zinc/26/45/29/491264529.db2.gz SEVBCVUVTIWJOP-LZWOXQAQSA-N 2 0 355.442 0.835 20 0 FCADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427125603 489595723 /nfs/dbraw/zinc/59/57/23/489595723.db2.gz FJGJOWMOELGCCH-UHFFFAOYSA-N 2 0 364.494 0.935 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128033 489595925 /nfs/dbraw/zinc/59/59/25/489595925.db2.gz JFEYXALUJKYFTF-CVEARBPZSA-N 2 0 374.489 0.831 20 0 FCADRP C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000427228594 489598745 /nfs/dbraw/zinc/59/87/45/489598745.db2.gz XPGXLJMFFZSPQN-KBPBESRZSA-N 2 0 362.478 0.639 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728674 491266139 /nfs/dbraw/zinc/26/61/39/491266139.db2.gz ADYGYJMUXRAAAJ-SJLPKXTDSA-N 2 0 358.486 0.628 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810610 489629830 /nfs/dbraw/zinc/62/98/30/489629830.db2.gz QYGVCYUVYXYTQM-IRXDYDNUSA-N 2 0 361.490 0.786 20 0 FCADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1OC ZINC000416823035 489630807 /nfs/dbraw/zinc/63/08/07/489630807.db2.gz XUJSIPUWDMVJAO-LSDHHAIUSA-N 2 0 366.462 0.594 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416831351 489631263 /nfs/dbraw/zinc/63/12/63/489631263.db2.gz BBRGEVSVELNMRQ-QZTJIDSGSA-N 2 0 373.501 0.757 20 0 FCADRP COCC1(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[NH2+]CC1 ZINC000416858464 489631756 /nfs/dbraw/zinc/63/17/56/489631756.db2.gz AHAWQBYIKNMTRU-MRXNPFEDSA-N 2 0 356.511 0.659 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000416865216 489631963 /nfs/dbraw/zinc/63/19/63/489631963.db2.gz JCIBVJSGKJVPOV-KRWDZBQOSA-N 2 0 356.511 0.883 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000416937293 489634749 /nfs/dbraw/zinc/63/47/49/489634749.db2.gz CXTVCYXMFKAVRU-ZACQAIPSSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000416950425 489635321 /nfs/dbraw/zinc/63/53/21/489635321.db2.gz RDSJZGYYXGCZJY-ZACQAIPSSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@H](C)O1 ZINC000416948866 489635589 /nfs/dbraw/zinc/63/55/89/489635589.db2.gz QEJGFGSGUYEUHR-BBWFWOEESA-N 2 0 368.522 0.883 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416961866 489636950 /nfs/dbraw/zinc/63/69/50/489636950.db2.gz SQTQAEVLEXOCHL-QGZVFWFLSA-N 2 0 355.527 0.328 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000417013294 489638471 /nfs/dbraw/zinc/63/84/71/489638471.db2.gz BYXZYBDGKAYVBR-SFHVURJKSA-N 2 0 361.490 0.568 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(CC[NH3+])CCO)CC2)c1 ZINC000417053589 489640126 /nfs/dbraw/zinc/64/01/26/489640126.db2.gz SGBBLJZCRDGQRI-UHFFFAOYSA-N 2 0 363.506 0.470 20 0 FCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417090714 489640557 /nfs/dbraw/zinc/64/05/57/489640557.db2.gz XZZIYNAPTIFWQK-JZXOWHBKSA-N 2 0 367.538 0.909 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417091717 489641145 /nfs/dbraw/zinc/64/11/45/489641145.db2.gz KMENVEJIOLQTIO-SJORKVTESA-N 2 0 356.511 0.883 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417140744 489643330 /nfs/dbraw/zinc/64/33/30/489643330.db2.gz QMKIJEYKWBLZQU-XHSDSOJGSA-N 2 0 351.495 0.642 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000555729988 491268539 /nfs/dbraw/zinc/26/85/39/491268539.db2.gz BGBLJAYEWOKOJG-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417323624 489648990 /nfs/dbraw/zinc/64/89/90/489648990.db2.gz HAADHLVSWBRHOX-OWCLPIDISA-N 2 0 353.511 0.603 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417363216 489649557 /nfs/dbraw/zinc/64/95/57/489649557.db2.gz AQOCGIXXVXVNEG-MSOLQXFVSA-N 3 0 372.517 0.845 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417355268 489649638 /nfs/dbraw/zinc/64/96/38/489649638.db2.gz DFOZMZGYRWJHFL-INIZCTEOSA-N 2 0 350.463 0.886 20 0 FCADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC[NH2+]CC1 ZINC000417364181 489649931 /nfs/dbraw/zinc/64/99/31/489649931.db2.gz HEMBUGDUFNAIIH-UHFFFAOYSA-N 3 0 360.506 0.987 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417377781 489650110 /nfs/dbraw/zinc/65/01/10/489650110.db2.gz DOTRRKBQOWKUCI-LJQANCHMSA-N 3 0 360.506 0.974 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417426415 489651947 /nfs/dbraw/zinc/65/19/47/489651947.db2.gz GNXOTXRDSJOKKM-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417431059 489652907 /nfs/dbraw/zinc/65/29/07/489652907.db2.gz QKHCNZLOJLURAO-JKSUJKDBSA-N 2 0 355.527 0.944 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481882 489656475 /nfs/dbraw/zinc/65/64/75/489656475.db2.gz IEAHMXUNRMZTCE-DOTOQJQBSA-N 2 0 365.522 0.761 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511060 489657083 /nfs/dbraw/zinc/65/70/83/489657083.db2.gz YDWWEYHASKFFJY-IBGZPJMESA-N 2 0 359.518 0.755 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000417548590 489658345 /nfs/dbraw/zinc/65/83/45/489658345.db2.gz QZMQPMOUGSOVFT-QZTJIDSGSA-N 2 0 373.501 0.887 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417548606 489658433 /nfs/dbraw/zinc/65/84/33/489658433.db2.gz RCPODZONOXUCDZ-DLBZAZTESA-N 2 0 361.490 0.920 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000417594329 489659693 /nfs/dbraw/zinc/65/96/93/489659693.db2.gz MDZUFMBWAAIELJ-GOSISDBHSA-N 2 0 362.474 0.949 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000417675853 489661031 /nfs/dbraw/zinc/66/10/31/489661031.db2.gz DBMXEHGYYHEUBL-LSDHHAIUSA-N 2 0 355.527 0.849 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000417675847 489661139 /nfs/dbraw/zinc/66/11/39/489661139.db2.gz DBMXEHGYYHEUBL-CABCVRRESA-N 2 0 355.527 0.849 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417753359 489664554 /nfs/dbraw/zinc/66/45/54/489664554.db2.gz OLKPJLPTMCDJGY-IAGOWNOFSA-N 2 0 356.511 0.883 20 0 FCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417793314 489666031 /nfs/dbraw/zinc/66/60/31/489666031.db2.gz ZTFFHRNOFMQBFD-AWEZNQCLSA-N 2 0 356.492 0.886 20 0 FCADRP C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000417851746 489668767 /nfs/dbraw/zinc/66/87/67/489668767.db2.gz GDBRPNFIYNMZOR-JKSUJKDBSA-N 2 0 367.538 0.816 20 0 FCADRP COC[C@@]1(CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000417942896 489672450 /nfs/dbraw/zinc/67/24/50/489672450.db2.gz CAFBXSWSWDURPD-SFHVURJKSA-N 2 0 365.478 0.590 20 0 FCADRP CN1CCO[C@@H]([C@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956971 489673324 /nfs/dbraw/zinc/67/33/24/489673324.db2.gz TZWSUEBNYPQJBS-HZPDHXFCSA-N 2 0 370.881 0.674 20 0 FCADRP C[NH+](C)CC1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000418025642 489675792 /nfs/dbraw/zinc/67/57/92/489675792.db2.gz OFFKOCVIEWMFJE-HNNXBMFYSA-N 2 0 353.511 0.605 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458407340 489680775 /nfs/dbraw/zinc/68/07/75/489680775.db2.gz CXONAICMKDYUQO-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418294379 489689287 /nfs/dbraw/zinc/68/92/87/489689287.db2.gz HABKLRIWZCCLCE-UHFFFAOYSA-N 2 0 369.460 0.943 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000418310572 489690581 /nfs/dbraw/zinc/69/05/81/489690581.db2.gz YNZQYGNVANEYCD-UHFFFAOYSA-N 2 0 369.460 0.943 20 0 FCADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000418304679 489691101 /nfs/dbraw/zinc/69/11/01/489691101.db2.gz YKXQHXQKQFIQFO-QGZVFWFLSA-N 2 0 366.554 0.092 20 0 FCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418306084 489691252 /nfs/dbraw/zinc/69/12/52/489691252.db2.gz QGTCYMUDZLDNPZ-QZTJIDSGSA-N 2 0 361.490 0.345 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418385361 489695311 /nfs/dbraw/zinc/69/53/11/489695311.db2.gz PJKSTQDDSKYFKU-HZPDHXFCSA-N 2 0 353.511 0.923 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418391459 489695680 /nfs/dbraw/zinc/69/56/80/489695680.db2.gz VDFJMQSZLQFGLF-IRXDYDNUSA-N 2 0 363.506 0.558 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000418384455 489695791 /nfs/dbraw/zinc/69/57/91/489695791.db2.gz OLCXCRPASDFHCL-RYRKJORJSA-N 2 0 365.522 0.840 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000418384454 489695861 /nfs/dbraw/zinc/69/58/61/489695861.db2.gz OLCXCRPASDFHCL-NUJGCVRESA-N 2 0 365.522 0.840 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000563825701 491271903 /nfs/dbraw/zinc/27/19/03/491271903.db2.gz DXJRNDPBULFJMV-MRXNPFEDSA-N 2 0 369.554 0.223 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418414360 489697456 /nfs/dbraw/zinc/69/74/56/489697456.db2.gz RQDBIVMORHWJTR-HZPDHXFCSA-N 2 0 353.511 0.795 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000458735624 489698981 /nfs/dbraw/zinc/69/89/81/489698981.db2.gz TXZGFBUJFZOHEI-INIZCTEOSA-N 2 0 355.527 0.158 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418561294 489707037 /nfs/dbraw/zinc/70/70/37/489707037.db2.gz YVDRUYWMXZSCCE-HNNXBMFYSA-N 2 0 371.407 0.925 20 0 FCADRP CN(C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418572204 489708181 /nfs/dbraw/zinc/70/81/81/489708181.db2.gz SJCFBFBPSIWCCJ-DDWPSWQVSA-N 2 0 354.401 0.384 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000418604169 489709773 /nfs/dbraw/zinc/70/97/73/489709773.db2.gz XIVMENRUKFGDFS-PVAVHDDUSA-N 2 0 365.522 0.794 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610179 489710365 /nfs/dbraw/zinc/71/03/65/489710365.db2.gz GNDZRYPELAZXET-STQMWFEESA-N 2 0 351.417 0.593 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418635024 489713438 /nfs/dbraw/zinc/71/34/38/489713438.db2.gz JWVXVZNZPVJKKE-WBVHZDCISA-N 2 0 359.474 0.370 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000430105755 489720479 /nfs/dbraw/zinc/72/04/79/489720479.db2.gz PXQAGSULXJEUHV-UXHICEINSA-N 2 0 372.513 0.784 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000469705146 489721097 /nfs/dbraw/zinc/72/10/97/489721097.db2.gz RXJFELHTCPWNNG-KBPBESRZSA-N 2 0 350.467 0.372 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418760967 489723052 /nfs/dbraw/zinc/72/30/52/489723052.db2.gz FPZWVYDVFBRJHI-JKSUJKDBSA-N 2 0 351.495 0.467 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459277767 489724688 /nfs/dbraw/zinc/72/46/88/489724688.db2.gz AYUCNSPURMVFCB-HOTGVXAUSA-N 2 0 354.495 0.997 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774521 489725774 /nfs/dbraw/zinc/72/57/74/489725774.db2.gz YWRMCMPOHMNNGB-OALUTQOASA-N 2 0 374.533 0.981 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000418786906 489727655 /nfs/dbraw/zinc/72/76/55/489727655.db2.gz STKQVLUCUFJPNB-QGZVFWFLSA-N 2 0 373.501 0.265 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCCC1 ZINC000418818274 489737011 /nfs/dbraw/zinc/73/70/11/489737011.db2.gz IHTWITHLBCSPGH-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000418825410 489740853 /nfs/dbraw/zinc/74/08/53/489740853.db2.gz FCNYUJWOHARVQC-CXAGYDPISA-N 2 0 350.488 0.679 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000418825412 489741317 /nfs/dbraw/zinc/74/13/17/489741317.db2.gz FCNYUJWOHARVQC-GUYCJALGSA-N 2 0 350.488 0.679 20 0 FCADRP CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829370 489742764 /nfs/dbraw/zinc/74/27/64/489742764.db2.gz IOPSDYBYKKSRNU-UKRRQHHQSA-N 2 0 350.463 0.893 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000418830211 489743311 /nfs/dbraw/zinc/74/33/11/489743311.db2.gz FNWZIDNWCOCIEC-DOTOQJQBSA-N 2 0 374.485 0.817 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cccs1 ZINC000418829431 489743465 /nfs/dbraw/zinc/74/34/65/489743465.db2.gz IWFZCBPUOZINJV-MELADBBJSA-N 2 0 350.488 0.535 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000418831643 489744494 /nfs/dbraw/zinc/74/44/94/489744494.db2.gz LLNDAIHYPVPBRZ-SFHVURJKSA-N 2 0 374.485 0.674 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418833273 489745560 /nfs/dbraw/zinc/74/55/60/489745560.db2.gz IAIGVAMEADQQGM-JQHSSLGASA-N 2 0 360.502 0.861 20 0 FCADRP CC[NH2+]CC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000430575911 489747639 /nfs/dbraw/zinc/74/76/39/489747639.db2.gz LPRWTHCZTQEHCH-UHFFFAOYSA-N 2 0 362.478 0.145 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000418837996 489747852 /nfs/dbraw/zinc/74/78/52/489747852.db2.gz UQMCGWCACNVKCE-KGLIPLIRSA-N 2 0 352.504 0.925 20 0 FCADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430595165 489749233 /nfs/dbraw/zinc/74/92/33/489749233.db2.gz MAVVGLDQIYLOEJ-CYBMUJFWSA-N 2 0 368.503 0.983 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000430602108 489750222 /nfs/dbraw/zinc/75/02/22/489750222.db2.gz GFPLQPTUMQBXLU-QWHCGFSZSA-N 2 0 364.412 0.574 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418839731 489750468 /nfs/dbraw/zinc/75/04/68/489750468.db2.gz DMRJSJNWLZZSJH-RCCFBDPRSA-N 2 0 356.470 0.445 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C)c1 ZINC000418839682 489750579 /nfs/dbraw/zinc/75/05/79/489750579.db2.gz DIJOUPVXRFNTTP-WBVHZDCISA-N 2 0 364.490 0.904 20 0 FCADRP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600974 489750891 /nfs/dbraw/zinc/75/08/91/489750891.db2.gz CCRPOBBPAWPBHS-INIZCTEOSA-N 2 0 364.465 0.961 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430598300 489750953 /nfs/dbraw/zinc/75/09/53/489750953.db2.gz CHJIAMDKZBPAPH-GDBMZVCRSA-N 2 0 360.458 0.413 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418841047 489751460 /nfs/dbraw/zinc/75/14/60/489751460.db2.gz GFGPOLWXMWTVSZ-KGLIPLIRSA-N 2 0 366.487 0.106 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418841609 489751582 /nfs/dbraw/zinc/75/15/82/489751582.db2.gz GVQCPCBWJLZTGL-KBPBESRZSA-N 2 0 352.504 0.973 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474297485 489751645 /nfs/dbraw/zinc/75/16/45/489751645.db2.gz DGGNJHHQGRSGLX-SFHVURJKSA-N 2 0 358.486 0.692 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000418848995 489755082 /nfs/dbraw/zinc/75/50/82/489755082.db2.gz MFYQJYKUXLZIPS-DLBZAZTESA-N 2 0 374.485 0.802 20 0 FCADRP Cc1nc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000555856342 491276967 /nfs/dbraw/zinc/27/69/67/491276967.db2.gz LELQFBZZSZYYOI-UHFFFAOYSA-N 2 0 355.508 0.062 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000418852217 489757220 /nfs/dbraw/zinc/75/72/20/489757220.db2.gz QKIJEMRNXKZETR-QGZVFWFLSA-N 2 0 360.502 0.781 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc2C1 ZINC000430630273 489757336 /nfs/dbraw/zinc/75/73/36/489757336.db2.gz RWSBMZDWQZBEPX-LJQANCHMSA-N 2 0 370.497 0.715 20 0 FCADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430633894 489758974 /nfs/dbraw/zinc/75/89/74/489758974.db2.gz QRUWBDGATGYQSV-INIZCTEOSA-N 2 0 362.474 0.277 20 0 FCADRP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430640804 489759918 /nfs/dbraw/zinc/75/99/18/489759918.db2.gz HZGYMVFKBGRLPB-CABCVRRESA-N 2 0 362.474 0.659 20 0 FCADRP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640870 489760310 /nfs/dbraw/zinc/76/03/10/489760310.db2.gz LEKSPNGQIGSQQF-QZTJIDSGSA-N 2 0 358.486 0.960 20 0 FCADRP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)nc12 ZINC000430637267 489760627 /nfs/dbraw/zinc/76/06/27/489760627.db2.gz CGVGIRUWTSLWEJ-INIZCTEOSA-N 2 0 369.469 0.647 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474416285 489761275 /nfs/dbraw/zinc/76/12/75/489761275.db2.gz WANDZHQRYLKKJH-GPANFISMSA-N 2 0 351.495 0.642 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000418860228 489761297 /nfs/dbraw/zinc/76/12/97/489761297.db2.gz LTILQQZVQOFQGK-KZNAEPCWSA-N 2 0 374.485 0.342 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[NH+](C)C)c1 ZINC000418858045 489761329 /nfs/dbraw/zinc/76/13/29/489761329.db2.gz IJGVLTPOUNACRU-LPHOPBHVSA-N 2 0 362.474 0.611 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000418860182 489761393 /nfs/dbraw/zinc/76/13/93/489761393.db2.gz LMORVGXQCJWHIU-ZDUSSCGKSA-N 2 0 350.488 0.999 20 0 FCADRP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652014 489763133 /nfs/dbraw/zinc/76/31/33/489763133.db2.gz WQIWMAAWPZSEOL-HIFRSBDPSA-N 2 0 350.438 0.617 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccccc1F ZINC000430661543 489763202 /nfs/dbraw/zinc/76/32/02/489763202.db2.gz GAKKYVFUDSKQFT-MRXNPFEDSA-N 2 0 362.449 0.586 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C[NH2+]1 ZINC000418862561 489763268 /nfs/dbraw/zinc/76/32/68/489763268.db2.gz ANOWVTSRKRVVQW-IIDMSEBBSA-N 2 0 374.485 0.078 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000430654111 489763830 /nfs/dbraw/zinc/76/38/30/489763830.db2.gz PNSZFLQHJOCTNW-INIZCTEOSA-N 2 0 358.486 0.969 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418864965 489764244 /nfs/dbraw/zinc/76/42/44/489764244.db2.gz RGHNLYPNWUIDDF-UONOGXRCSA-N 2 0 350.488 0.869 20 0 FCADRP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671300 489764821 /nfs/dbraw/zinc/76/48/21/489764821.db2.gz XKMPKCKEEWVABR-LSDHHAIUSA-N 2 0 364.515 0.897 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418869756 489766651 /nfs/dbraw/zinc/76/66/51/489766651.db2.gz XHQQKBHAXLUZNV-IRXDYDNUSA-N 2 0 362.474 0.073 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)c1 ZINC000418877840 489770771 /nfs/dbraw/zinc/77/07/71/489770771.db2.gz PRFHBWWENODEDE-WMLDXEAASA-N 2 0 362.474 0.802 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430874897 489774523 /nfs/dbraw/zinc/77/45/23/489774523.db2.gz JACOWGALOKZFIU-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430894029 489775420 /nfs/dbraw/zinc/77/54/20/489775420.db2.gz JBJDZFLQGGHDQA-OAHLLOKOSA-N 2 0 350.467 0.352 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430917975 489777751 /nfs/dbraw/zinc/77/77/51/489777751.db2.gz FSNOUEZJLMRIBW-LBPRGKRZSA-N 2 0 354.476 0.722 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000430949461 489780969 /nfs/dbraw/zinc/78/09/69/489780969.db2.gz NPTSVBIKGJCSLV-LBPRGKRZSA-N 2 0 366.487 0.282 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431061430 489787318 /nfs/dbraw/zinc/78/73/18/489787318.db2.gz KFDBJGZAUPZKTA-UHFFFAOYSA-N 2 0 363.510 0.206 20 0 FCADRP CN1CCO[C@H]([C@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950942 491278927 /nfs/dbraw/zinc/27/89/27/491278927.db2.gz AQCXCUUAXSIZLF-FUHWJXTLSA-N 2 0 366.893 0.733 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919703 489792217 /nfs/dbraw/zinc/79/22/17/489792217.db2.gz KHCBHMVEUZDIDA-JKSUJKDBSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000418928704 489794548 /nfs/dbraw/zinc/79/45/48/489794548.db2.gz VICNXHDWNJFFAA-YVSFHVDLSA-N 2 0 366.506 0.045 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000418933351 489795058 /nfs/dbraw/zinc/79/50/58/489795058.db2.gz ZTNRSLHKACNFRX-JKSUJKDBSA-N 2 0 356.511 0.291 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000418945539 489799707 /nfs/dbraw/zinc/79/97/07/489799707.db2.gz PWDFVBQGYALAPB-RRFJBIMHSA-N 2 0 350.463 0.974 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccco1 ZINC000418948332 489800058 /nfs/dbraw/zinc/80/00/58/489800058.db2.gz TWJRLKZZLBLJEQ-RBSFLKMASA-N 2 0 350.463 0.988 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccco1 ZINC000418947624 489800379 /nfs/dbraw/zinc/80/03/79/489800379.db2.gz SPSJWGYHDPPKAV-SOUVJXGZSA-N 2 0 350.463 0.974 20 0 FCADRP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563957783 491279604 /nfs/dbraw/zinc/27/96/04/491279604.db2.gz SUYDDKODDMDOML-BZSNNMDCSA-N 2 0 369.531 0.711 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000418954172 489803832 /nfs/dbraw/zinc/80/38/32/489803832.db2.gz WCHCMXMXVWZJGG-JXFKEZNVSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000459986243 489809212 /nfs/dbraw/zinc/80/92/12/489809212.db2.gz FVQCRNODQOKIAP-SFHVURJKSA-N 2 0 362.518 0.731 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000460003514 489815332 /nfs/dbraw/zinc/81/53/32/489815332.db2.gz HRYPKYBAQPLRTR-DLBZAZTESA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419009441 489816010 /nfs/dbraw/zinc/81/60/10/489816010.db2.gz NFMZAFLGOQEQOB-QGZVFWFLSA-N 2 0 362.474 0.249 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419019389 489820314 /nfs/dbraw/zinc/82/03/14/489820314.db2.gz DIRBYJVLAISCSI-QPSCCSFWSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419023062 489821648 /nfs/dbraw/zinc/82/16/48/489821648.db2.gz IZFHBDGRLQBCBZ-XFIYOXNOSA-N 2 0 368.522 0.698 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419026391 489823307 /nfs/dbraw/zinc/82/33/07/489823307.db2.gz NLXQBKUDZGPJPL-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419031083 489825700 /nfs/dbraw/zinc/82/57/00/489825700.db2.gz IJCHWWOIHSUUOQ-OAHLLOKOSA-N 2 0 368.547 0.662 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419034207 489827488 /nfs/dbraw/zinc/82/74/88/489827488.db2.gz DITGMQYADMTMGP-JYJNAYRXSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419043229 489831478 /nfs/dbraw/zinc/83/14/78/489831478.db2.gz QVCVLURFKPFUOE-ZACQAIPSSA-N 2 0 368.522 0.579 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419044626 489832237 /nfs/dbraw/zinc/83/22/37/489832237.db2.gz UKRFSRHESZZXFS-XHSDSOJGSA-N 2 0 354.495 0.189 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419047053 489834464 /nfs/dbraw/zinc/83/44/64/489834464.db2.gz RGJOVGBORCCDSX-ARFHVFGLSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000419049114 489835115 /nfs/dbraw/zinc/83/51/15/489835115.db2.gz WWRMSDXQDMUFCZ-OCCSQVGLSA-N 2 0 354.401 0.648 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419051893 489835978 /nfs/dbraw/zinc/83/59/78/489835978.db2.gz CFONKDYAQJKNTO-KZNAEPCWSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000419076176 489847290 /nfs/dbraw/zinc/84/72/90/489847290.db2.gz NUIFNBMPHPGANW-IOASZLSFSA-N 2 0 373.432 0.974 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419100811 489855255 /nfs/dbraw/zinc/85/52/55/489855255.db2.gz CALOOFIPMXEXBK-WBMJQRKESA-N 2 0 350.438 0.760 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000460221901 489855622 /nfs/dbraw/zinc/85/56/22/489855622.db2.gz QBZQQDNRSUATOH-UHFFFAOYSA-N 2 0 367.538 0.328 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000419100843 489855621 /nfs/dbraw/zinc/85/56/21/489855621.db2.gz CECJVJYXQTZDOE-UONOGXRCSA-N 2 0 372.391 0.984 20 0 FCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419103961 489855922 /nfs/dbraw/zinc/85/59/22/489855922.db2.gz GUTUOVXBWCFLNW-BLLLJJGKSA-N 2 0 350.438 0.618 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000419107467 489858071 /nfs/dbraw/zinc/85/80/71/489858071.db2.gz KNYDPSMZHRGHPX-MLGOLLRUSA-N 2 0 350.438 0.699 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067456 491283917 /nfs/dbraw/zinc/28/39/17/491283917.db2.gz UBAJBRALYUBXDA-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1cccc(F)c1 ZINC000419115673 489862452 /nfs/dbraw/zinc/86/24/52/489862452.db2.gz ODEXNMBGHLXTKD-ZWKOTPCHSA-N 2 0 374.460 0.822 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1F ZINC000419117739 489862671 /nfs/dbraw/zinc/86/26/71/489862671.db2.gz WECDEQLNHKXFHT-OAHLLOKOSA-N 2 0 350.438 0.762 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419118029 489863478 /nfs/dbraw/zinc/86/34/78/489863478.db2.gz NIMLADNECRCCSR-HIFRSBDPSA-N 2 0 354.495 0.452 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000476044888 489865047 /nfs/dbraw/zinc/86/50/47/489865047.db2.gz YCLLFEIETOXZLZ-KRWDZBQOSA-N 2 0 355.527 0.421 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000433139727 489868059 /nfs/dbraw/zinc/86/80/59/489868059.db2.gz YCDQAAJGQDXKMB-UHFFFAOYSA-N 2 0 364.465 0.804 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419124609 489868326 /nfs/dbraw/zinc/86/83/26/489868326.db2.gz YAABYNNZLBWGHY-UHFFFAOYSA-N 2 0 355.389 0.398 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419986995 489874130 /nfs/dbraw/zinc/87/41/30/489874130.db2.gz WXYGTBYMHZDYGT-KSZLIROESA-N 2 0 358.486 0.676 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000419991527 489875005 /nfs/dbraw/zinc/87/50/05/489875005.db2.gz DLJLIAUQIDLFEM-WBVHZDCISA-N 2 0 350.507 0.683 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000420001303 489877648 /nfs/dbraw/zinc/87/76/48/489877648.db2.gz PTFUNZOUOVUZNA-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420012953 489880926 /nfs/dbraw/zinc/88/09/26/489880926.db2.gz JKEVYAZGUMLWSF-BFYDXBDKSA-N 2 0 368.522 0.434 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420020114 489882077 /nfs/dbraw/zinc/88/20/77/489882077.db2.gz RPNLTZIILOCIAN-WBVHZDCISA-N 2 0 367.538 0.105 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420019055 489882644 /nfs/dbraw/zinc/88/26/44/489882644.db2.gz QONOFUXBPWULCQ-DOTOQJQBSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420023369 489884120 /nfs/dbraw/zinc/88/41/20/489884120.db2.gz XFZLZLNEYLMRCI-IAGOWNOFSA-N 2 0 366.506 0.191 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000377322320 489884778 /nfs/dbraw/zinc/88/47/78/489884778.db2.gz JJKXNRQORBNDQO-UKPHBRMFSA-N 2 0 362.478 0.721 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433470151 489888043 /nfs/dbraw/zinc/88/80/43/489888043.db2.gz YGWVWOTXMGEDSS-ZWKOTPCHSA-N 2 0 369.554 0.813 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420042009 489890986 /nfs/dbraw/zinc/89/09/86/489890986.db2.gz CVOAXEKSBABIJT-UHFFFAOYSA-N 2 0 356.417 0.709 20 0 FCADRP CCOCCN1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000476460641 489891001 /nfs/dbraw/zinc/89/10/01/489891001.db2.gz PRFBDSPZQMFEBV-IAGOWNOFSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000420044156 489891812 /nfs/dbraw/zinc/89/18/12/489891812.db2.gz SOZLKFJDWWGGKJ-IMJJTQAJSA-N 2 0 366.506 0.406 20 0 FCADRP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420060797 489898034 /nfs/dbraw/zinc/89/80/34/489898034.db2.gz KUJYZFSTJCSRKU-ZWKOTPCHSA-N 2 0 358.486 0.963 20 0 FCADRP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000420062293 489899333 /nfs/dbraw/zinc/89/93/33/489899333.db2.gz MEEUKICNDPPVQQ-SFHVURJKSA-N 2 0 358.486 0.963 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069221 489901987 /nfs/dbraw/zinc/90/19/87/489901987.db2.gz VNMMYJPCABRDPI-ZWKOTPCHSA-N 2 0 373.501 0.748 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420074839 489903721 /nfs/dbraw/zinc/90/37/21/489903721.db2.gz ZYWVEKNNQHHFMG-IAGOWNOFSA-N 2 0 366.506 0.191 20 0 FCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000377441571 489904181 /nfs/dbraw/zinc/90/41/81/489904181.db2.gz IAEHJIHACHGFMR-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420080357 489905493 /nfs/dbraw/zinc/90/54/93/489905493.db2.gz GPOPAYVMDWVBQD-LZWOXQAQSA-N 2 0 354.495 0.236 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093704 489909137 /nfs/dbraw/zinc/90/91/37/489909137.db2.gz QBNJLRKOCIOLHO-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420095324 489910240 /nfs/dbraw/zinc/91/02/40/489910240.db2.gz FSIOYSCBMVZJRG-GOSISDBHSA-N 2 0 356.470 0.993 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]1 ZINC000420130430 489924088 /nfs/dbraw/zinc/92/40/88/489924088.db2.gz RHGHAPHKFCLBKA-WQVCFCJDSA-N 2 0 350.438 0.801 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000495125616 489927108 /nfs/dbraw/zinc/92/71/08/489927108.db2.gz AXOGKRGJOFMYBJ-CVEARBPZSA-N 2 0 370.538 0.972 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420139791 489927320 /nfs/dbraw/zinc/92/73/20/489927320.db2.gz OWKUEBRKHKWCGI-UHFFFAOYSA-N 2 0 356.470 0.757 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000434542472 489932925 /nfs/dbraw/zinc/93/29/25/489932925.db2.gz AGMYAFLEYCNMBO-INIZCTEOSA-N 2 0 373.563 0.981 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000434542473 489933029 /nfs/dbraw/zinc/93/30/29/489933029.db2.gz AGMYAFLEYCNMBO-MRXNPFEDSA-N 2 0 373.563 0.981 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420155880 489934023 /nfs/dbraw/zinc/93/40/23/489934023.db2.gz FBIBJPOCZNFYQE-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000434573805 489935455 /nfs/dbraw/zinc/93/54/55/489935455.db2.gz GTSSQXLUCGLSEV-ZDUSSCGKSA-N 2 0 355.483 0.130 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420167788 489938392 /nfs/dbraw/zinc/93/83/92/489938392.db2.gz JNVCUSZJYONJAE-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000556016812 491289611 /nfs/dbraw/zinc/28/96/11/491289611.db2.gz JMOJOEIMVUZBTL-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000477104620 489943114 /nfs/dbraw/zinc/94/31/14/489943114.db2.gz ZXORJULIJOXEBQ-JKSUJKDBSA-N 2 0 356.511 0.306 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000420183577 489944225 /nfs/dbraw/zinc/94/42/25/489944225.db2.gz HNFBENCQIGTRHY-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169704 491290051 /nfs/dbraw/zinc/29/00/51/491290051.db2.gz YAVXQTCOODHJPB-GVDBMIGSSA-N 2 0 363.506 0.608 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000420188620 489946199 /nfs/dbraw/zinc/94/61/99/489946199.db2.gz FOWCPQSNRLYKHS-HUUCEWRRSA-N 2 0 350.463 0.722 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420203568 489951319 /nfs/dbraw/zinc/95/13/19/489951319.db2.gz QFQCXABUYGTVSP-ZWKOTPCHSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420210230 489953688 /nfs/dbraw/zinc/95/36/88/489953688.db2.gz VZMXNDTUADESFZ-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000420302327 489961227 /nfs/dbraw/zinc/96/12/27/489961227.db2.gz FSSMSLRALQMWEG-GOSISDBHSA-N 2 0 351.539 0.299 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307334 489961493 /nfs/dbraw/zinc/96/14/93/489961493.db2.gz LVLAHSJHBABBNK-RYUDHWBXSA-N 2 0 363.414 0.867 20 0 FCADRP Cn1c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])nc2ccccc2c1=O ZINC000420319557 489962513 /nfs/dbraw/zinc/96/25/13/489962513.db2.gz XSEZHTHQCLIEJT-AWEZNQCLSA-N 2 0 357.458 0.753 20 0 FCADRP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333726 489963874 /nfs/dbraw/zinc/96/38/74/489963874.db2.gz SVEKELWCHJRXOG-QWHCGFSZSA-N 2 0 363.462 0.445 20 0 FCADRP O=C(C[C@@H]1CSCC[NH2+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434880570 489964716 /nfs/dbraw/zinc/96/47/16/489964716.db2.gz PEAITPKWFSRUGY-MRXNPFEDSA-N 3 0 363.531 0.805 20 0 FCADRP Cn1cc(C[N@@H+]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000420359895 489967852 /nfs/dbraw/zinc/96/78/52/489967852.db2.gz LBJJRWNCFGYQGH-PMACEKPBSA-N 2 0 357.502 0.859 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000420392351 489971756 /nfs/dbraw/zinc/97/17/56/489971756.db2.gz PJSDUKOERWEDNN-JQHSSLGASA-N 2 0 352.523 0.757 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420407656 489972229 /nfs/dbraw/zinc/97/22/29/489972229.db2.gz UVVWYHSNHBQLMW-WFASDCNBSA-N 2 0 357.524 0.952 20 0 FCADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420406301 489972799 /nfs/dbraw/zinc/97/27/99/489972799.db2.gz NMSUCMFCZCPYFY-CHWSQXEVSA-N 2 0 354.476 0.579 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000420437192 489976204 /nfs/dbraw/zinc/97/62/04/489976204.db2.gz UQUHLBHLZHVRNE-OAHLLOKOSA-N 2 0 357.524 0.954 20 0 FCADRP COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420455646 489980677 /nfs/dbraw/zinc/98/06/77/489980677.db2.gz MNTLXQGWQHGNDC-UHFFFAOYSA-N 2 0 363.867 0.815 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000477652433 489982038 /nfs/dbraw/zinc/98/20/38/489982038.db2.gz MIBFCZQZTVBDMN-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000477655399 489982699 /nfs/dbraw/zinc/98/26/99/489982699.db2.gz XIFMLNXZTDMGNY-MRXNPFEDSA-N 2 0 368.522 0.308 20 0 FCADRP CCc1cnccc1[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000571207627 491292933 /nfs/dbraw/zinc/29/29/33/491292933.db2.gz WLYRDEFEQALHNR-HNNXBMFYSA-N 2 0 363.506 0.773 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000477675409 489984033 /nfs/dbraw/zinc/98/40/33/489984033.db2.gz GNOISISEFVIVHH-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000571149412 491288447 /nfs/dbraw/zinc/28/84/47/491288447.db2.gz DFSZAQOWBBYROY-HOTGVXAUSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCOCC[NH+](C)C)([NH+](C)C)C1 ZINC000478013389 489999994 /nfs/dbraw/zinc/99/99/94/489999994.db2.gz CVMVLJNTBLZVDV-QAPCUYQASA-N 2 0 356.511 0.308 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1cccs1 ZINC000564100261 491288798 /nfs/dbraw/zinc/28/87/98/491288798.db2.gz CZNBWRVLDHWWNP-YNEHKIRRSA-N 2 0 351.476 0.304 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378207965 490028514 /nfs/dbraw/zinc/02/85/14/490028514.db2.gz UQFGQMRNDBUYNR-SFHVURJKSA-N 2 0 350.438 0.953 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897322 490029469 /nfs/dbraw/zinc/02/94/69/490029469.db2.gz CJHNNAAAADHIIE-DLBZAZTESA-N 2 0 368.522 0.401 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000478686390 490031676 /nfs/dbraw/zinc/03/16/76/490031676.db2.gz IUOFJKLJWYJAEB-QGZVFWFLSA-N 2 0 361.490 0.091 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378303092 490044068 /nfs/dbraw/zinc/04/40/68/490044068.db2.gz BTJDSPAJYWHLLA-FQEVSTJZSA-N 2 0 371.529 0.310 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000479078593 490064637 /nfs/dbraw/zinc/06/46/37/490064637.db2.gz JZHMVNIIHKKSEB-OAHLLOKOSA-N 2 0 352.483 0.585 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000479183445 490071952 /nfs/dbraw/zinc/07/19/52/490071952.db2.gz JAOIOGLEJXSLHT-KRWDZBQOSA-N 2 0 362.449 0.635 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479201607 490072926 /nfs/dbraw/zinc/07/29/26/490072926.db2.gz ISCWKVCHMTVVPL-SJORKVTESA-N 2 0 364.465 0.927 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[NH+]1CCC1 ZINC000506492092 490098199 /nfs/dbraw/zinc/09/81/99/490098199.db2.gz SQDIOPGBIFYEBJ-UHFFFAOYSA-N 2 0 361.494 0.384 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1)C(C)C ZINC000519859710 490100366 /nfs/dbraw/zinc/10/03/66/490100366.db2.gz MUJYKDCHJBMVNE-KRWDZBQOSA-N 2 0 370.538 0.791 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000520216892 490116523 /nfs/dbraw/zinc/11/65/23/490116523.db2.gz TULHLNIUYZLRTA-QZTJIDSGSA-N 2 0 358.486 0.569 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496413057 490118324 /nfs/dbraw/zinc/11/83/24/490118324.db2.gz SOSZGJWKMYHHDS-UHFFFAOYSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1C1CC1 ZINC000571324423 491300730 /nfs/dbraw/zinc/30/07/30/491300730.db2.gz XBIWMWIBGLRNKR-PVAVHDDUSA-N 2 0 362.518 0.918 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000422027658 490127901 /nfs/dbraw/zinc/12/79/01/490127901.db2.gz WMZWCKZHOTYUKI-SFHVURJKSA-N 2 0 366.550 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569470 490130016 /nfs/dbraw/zinc/13/00/16/490130016.db2.gz NFJKCLJKRBKDDC-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000390953730 490139137 /nfs/dbraw/zinc/13/91/37/490139137.db2.gz TYTLOGGJJKWVRF-KRWDZBQOSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000520384989 490141023 /nfs/dbraw/zinc/14/10/23/490141023.db2.gz JBWGBEPXONGNNF-LSDHHAIUSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354153 491302878 /nfs/dbraw/zinc/30/28/78/491302878.db2.gz DPBPJQUZNLPJDH-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000507153978 490183250 /nfs/dbraw/zinc/18/32/50/490183250.db2.gz KZBMPBIWWLPNEQ-ZFWWWQNUSA-N 2 0 354.414 0.949 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000422179163 490197237 /nfs/dbraw/zinc/19/72/37/490197237.db2.gz KFJNQQMQVSTNCG-UHFFFAOYSA-N 2 0 369.554 0.766 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)CC1 ZINC000571420406 491306955 /nfs/dbraw/zinc/30/69/55/491306955.db2.gz IXIOALLBAVNING-CPFNUKBASA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000422265047 490215570 /nfs/dbraw/zinc/21/55/70/490215570.db2.gz JFTZWOQVHGVZCJ-OAHLLOKOSA-N 2 0 366.514 0.293 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000521038717 490217383 /nfs/dbraw/zinc/21/73/83/490217383.db2.gz HSGYGOMPHGHVBL-YESZJQIVSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC000447421693 490234202 /nfs/dbraw/zinc/23/42/02/490234202.db2.gz HOHUTNGBRXWSJA-UHFFFAOYSA-N 2 0 364.494 0.621 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000447439924 490235427 /nfs/dbraw/zinc/23/54/27/490235427.db2.gz JJAVEHJPHDHJEZ-KRWDZBQOSA-N 2 0 362.474 0.729 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291855 490235517 /nfs/dbraw/zinc/23/55/17/490235517.db2.gz FMSHYZYQEVOHCW-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291850 490235750 /nfs/dbraw/zinc/23/57/50/490235750.db2.gz FMSHYZYQEVOHCW-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000422330522 490262306 /nfs/dbraw/zinc/26/23/06/490262306.db2.gz BXIIMEMGPXYGRS-INIZCTEOSA-N 2 0 367.538 0.070 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344036 490269239 /nfs/dbraw/zinc/26/92/39/490269239.db2.gz USASOMCAOFDZBE-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507836564 490270094 /nfs/dbraw/zinc/27/00/94/490270094.db2.gz GBYUHWBOKSKEPB-IBGZPJMESA-N 2 0 364.534 0.727 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000521624438 490283253 /nfs/dbraw/zinc/28/32/53/490283253.db2.gz AQMACGHOJGIEOJ-LSDHHAIUSA-N 2 0 355.508 0.292 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000422379269 490288930 /nfs/dbraw/zinc/28/89/30/490288930.db2.gz NUCMJYAYDSDULH-IAGOWNOFSA-N 2 0 368.522 0.545 20 0 FCADRP OC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000447919159 490293791 /nfs/dbraw/zinc/29/37/91/490293791.db2.gz CYVPBIVJAJMCMY-IYWMVGAKSA-N 2 0 364.486 0.946 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000447979831 490307269 /nfs/dbraw/zinc/30/72/69/490307269.db2.gz BKSOOORWDCORTP-JKSUJKDBSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000533981180 490307742 /nfs/dbraw/zinc/30/77/42/490307742.db2.gz YRTJQTQIURIMLM-UHFFFAOYSA-N 2 0 369.554 0.547 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000448208252 490319858 /nfs/dbraw/zinc/31/98/58/490319858.db2.gz GFHMXHHJESTTPI-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000521998717 490324295 /nfs/dbraw/zinc/32/42/95/490324295.db2.gz CMCWERCPKWJUMZ-UHFFFAOYSA-N 2 0 359.474 0.595 20 0 FCADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534272082 490338960 /nfs/dbraw/zinc/33/89/60/490338960.db2.gz QRYOXUGBRZHFTM-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCCC[C@@H]1C ZINC000448488092 490356119 /nfs/dbraw/zinc/35/61/19/490356119.db2.gz OTQKWBWVVRCSKX-LSDHHAIUSA-N 2 0 364.494 0.762 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000498947329 490369999 /nfs/dbraw/zinc/36/99/99/490369999.db2.gz HHDZFQDZVRNZDN-IAGOWNOFSA-N 2 0 350.507 0.991 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498945497 490370148 /nfs/dbraw/zinc/37/01/48/490370148.db2.gz YNCIDENSKDOFMR-CALCHBBNSA-N 2 0 366.506 0.370 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1COCCO1 ZINC000522329561 490370777 /nfs/dbraw/zinc/37/07/77/490370777.db2.gz RGLRIXCOMBGTLL-KRWDZBQOSA-N 2 0 363.462 0.308 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCCCC1 ZINC000571658704 491321380 /nfs/dbraw/zinc/32/13/80/491321380.db2.gz QKTIBQCJGQATMK-LSDHHAIUSA-N 2 0 351.495 0.594 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000468272666 490379851 /nfs/dbraw/zinc/37/98/51/490379851.db2.gz NVAVRRBVZBOKHC-UAHISNFZSA-N 2 0 368.522 0.350 20 0 FCADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564725750 491322703 /nfs/dbraw/zinc/32/27/03/491322703.db2.gz FDROJLJGPZFYNC-SJLPKXTDSA-N 2 0 373.501 0.182 20 0 FCADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564725751 491322784 /nfs/dbraw/zinc/32/27/84/491322784.db2.gz FDROJLJGPZFYNC-WMZOPIPTSA-N 2 0 373.501 0.182 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000411147875 490394239 /nfs/dbraw/zinc/39/42/39/490394239.db2.gz YVOLGJUGALUPGH-CQSZACIVSA-N 2 0 350.463 0.940 20 0 FCADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000422546436 490400914 /nfs/dbraw/zinc/40/09/14/490400914.db2.gz URLKZJVMKDWAMR-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548034687 490410070 /nfs/dbraw/zinc/41/00/70/490410070.db2.gz SPTDXQAYWKJAMA-QGZVFWFLSA-N 2 0 369.554 0.501 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000556642921 491324784 /nfs/dbraw/zinc/32/47/84/491324784.db2.gz ZAHZVISXZOSDHM-HNNXBMFYSA-N 2 0 354.495 0.202 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411254502 490416074 /nfs/dbraw/zinc/41/60/74/490416074.db2.gz NMVJEFKMERTXTI-QGZVFWFLSA-N 2 0 362.474 0.832 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625233 490430844 /nfs/dbraw/zinc/43/08/44/490430844.db2.gz BACIIFFJFSLBDJ-MJBXVCDLSA-N 2 0 368.503 0.886 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625232 490430880 /nfs/dbraw/zinc/43/08/80/490430880.db2.gz BACIIFFJFSLBDJ-MCIONIFRSA-N 2 0 368.503 0.886 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571745542 491326375 /nfs/dbraw/zinc/32/63/75/491326375.db2.gz ZZFJOSNXTQHTLJ-OALUTQOASA-N 2 0 357.502 0.950 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000450133873 490444601 /nfs/dbraw/zinc/44/46/01/490444601.db2.gz MXDRLWZTQUFOKI-NVXWUHKLSA-N 2 0 365.474 0.895 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000523209568 490448672 /nfs/dbraw/zinc/44/86/72/490448672.db2.gz PIOZWNRWZLCFEX-WBVHZDCISA-N 2 0 365.522 0.713 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000509712031 490453724 /nfs/dbraw/zinc/45/37/24/490453724.db2.gz CLQWJKCDRIEQBI-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000509724509 490458490 /nfs/dbraw/zinc/45/84/90/490458490.db2.gz NKRZLEDUFYXXNM-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000571778349 491328787 /nfs/dbraw/zinc/32/87/87/491328787.db2.gz JVFGESOPPMWSKQ-HZPDHXFCSA-N 2 0 363.437 0.211 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440299 490485919 /nfs/dbraw/zinc/48/59/19/490485919.db2.gz KEYVGTDBZUAWGA-GHTZIAJQSA-N 2 0 374.529 0.766 20 0 FCADRP C[NH+]1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693098 490486858 /nfs/dbraw/zinc/48/68/58/490486858.db2.gz VDDVHAMBFNXAJB-VXGBXAGGSA-N 2 0 351.476 0.601 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000422936348 490502369 /nfs/dbraw/zinc/50/23/69/490502369.db2.gz BKTDKSFGSHPQNJ-UONOGXRCSA-N 2 0 361.508 0.321 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985302 490511811 /nfs/dbraw/zinc/51/18/11/490511811.db2.gz DANHINDXLJBWQU-YESZJQIVSA-N 2 0 360.506 0.999 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000423063043 490533486 /nfs/dbraw/zinc/53/34/86/490533486.db2.gz VJPBNVJKMMUEQD-CVEARBPZSA-N 2 0 366.506 0.143 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000485482528 490534168 /nfs/dbraw/zinc/53/41/68/490534168.db2.gz SVAGQBYMDFHTAH-DLBZAZTESA-N 2 0 366.506 0.081 20 0 FCADRP COC[C@]1(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCC[NH2+]1 ZINC000571881667 491334921 /nfs/dbraw/zinc/33/49/21/491334921.db2.gz XBUYTWWFPUVXAQ-MRXNPFEDSA-N 2 0 373.523 0.108 20 0 FCADRP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000524713876 490553139 /nfs/dbraw/zinc/55/31/39/490553139.db2.gz XKXIOLXHWDEPPU-HNNXBMFYSA-N 2 0 364.494 0.764 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556796032 491337433 /nfs/dbraw/zinc/33/74/33/491337433.db2.gz TWDCVXWZZBHYNV-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000556797127 491337962 /nfs/dbraw/zinc/33/79/62/491337962.db2.gz YMBWFHATZBKGBN-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nccn1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000511420130 490593079 /nfs/dbraw/zinc/59/30/79/490593079.db2.gz IGCCDNWIPMLKND-OAHLLOKOSA-N 2 0 350.467 0.468 20 0 FCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000525332384 490597409 /nfs/dbraw/zinc/59/74/09/490597409.db2.gz KMVHWHFEQPWNKN-INIZCTEOSA-N 2 0 361.490 0.382 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564949764 491339353 /nfs/dbraw/zinc/33/93/53/491339353.db2.gz IICUNAPKBXMSIS-UONOGXRCSA-N 2 0 374.411 0.374 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365761 490614512 /nfs/dbraw/zinc/61/45/12/490614512.db2.gz LBMSZGYOFSZGEL-SQNIBIBYSA-N 2 0 352.523 0.438 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000486407377 490619526 /nfs/dbraw/zinc/61/95/26/490619526.db2.gz OGGCZFYGTNUZML-HNNXBMFYSA-N 2 0 362.540 0.479 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501594000 490621243 /nfs/dbraw/zinc/62/12/43/490621243.db2.gz CZQIMLIWFMEYRR-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000525815358 490636683 /nfs/dbraw/zinc/63/66/83/490636683.db2.gz NUBPOUCKPXJBRQ-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815068 490637177 /nfs/dbraw/zinc/63/71/77/490637177.db2.gz FOOFZCPSOMHQNA-JKSUJKDBSA-N 2 0 353.511 0.603 20 0 FCADRP Cn1cnc2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000525882743 490646069 /nfs/dbraw/zinc/64/60/69/490646069.db2.gz BHSRVZGOZACDOA-UHFFFAOYSA-N 2 0 360.462 0.464 20 0 FCADRP COCCO[C@H]1C[C@H](CO)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848916 490647074 /nfs/dbraw/zinc/64/70/74/490647074.db2.gz HQSOZRSZAOARAS-OALUTQOASA-N 2 0 357.539 0.748 20 0 FCADRP COC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000564985718 491343471 /nfs/dbraw/zinc/34/34/71/491343471.db2.gz KWKAUCWOADIOBZ-CQSZACIVSA-N 2 0 374.441 0.308 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000564990173 491344207 /nfs/dbraw/zinc/34/42/07/491344207.db2.gz MRGMZYCFGKDALD-SFHVURJKSA-N 3 0 353.555 0.722 20 0 FCADRP COCCCNC(=O)C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000564989243 491344309 /nfs/dbraw/zinc/34/43/09/491344309.db2.gz FKCZYLALARYOOM-OALUTQOASA-N 2 0 363.502 0.782 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000564992190 491344482 /nfs/dbraw/zinc/34/44/82/491344482.db2.gz IJMLAVRSFLDUQJ-KDOFPFPSSA-N 2 0 361.490 0.823 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCN1CC[NH+](CC)CC1 ZINC000512363175 490677628 /nfs/dbraw/zinc/67/76/28/490677628.db2.gz PRXSGRUUHFEBSG-LJQANCHMSA-N 3 0 367.582 0.889 20 0 FCADRP CCO[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487012307 490687105 /nfs/dbraw/zinc/68/71/05/490687105.db2.gz AQNFHKSXGFNUNM-KFESYUHLSA-N 2 0 368.522 0.019 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487073962 490691473 /nfs/dbraw/zinc/69/14/73/490691473.db2.gz QNTBVSCSAWGDIT-BLONOQDTSA-N 2 0 364.534 0.830 20 0 FCADRP C[C@@H](O)CN1CCN(C(=O)c2cc3c(ncnc3N(C)C)n2C)[C@H](C)C1 ZINC000527004269 490691735 /nfs/dbraw/zinc/69/17/35/490691735.db2.gz JGOCBMMSRWFOPR-CHWSQXEVSA-N 2 0 360.462 0.561 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512666941 490692467 /nfs/dbraw/zinc/69/24/67/490692467.db2.gz MYBUTJKDLLPNHE-QZTJIDSGSA-N 2 0 367.538 0.303 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000572068459 491346976 /nfs/dbraw/zinc/34/69/76/491346976.db2.gz XYSJYKXXYDKTTD-SOUVJXGZSA-N 2 0 354.495 0.201 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168942 490699842 /nfs/dbraw/zinc/69/98/42/490699842.db2.gz WRYFIMVIGIQNJD-BBRMVZONSA-N 2 0 368.503 0.663 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)c1 ZINC000527124014 490701582 /nfs/dbraw/zinc/70/15/82/490701582.db2.gz SXMWWQKBSPYYIO-UHFFFAOYSA-N 2 0 366.462 0.594 20 0 FCADRP CN(C(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512851478 490701965 /nfs/dbraw/zinc/70/19/65/490701965.db2.gz JPXQRCVYYBRBOR-GOSISDBHSA-N 2 0 367.538 0.255 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419537 490704072 /nfs/dbraw/zinc/70/40/72/490704072.db2.gz OMPNFHCUUOJUPV-PJVZLEMVSA-N 2 0 355.523 0.642 20 0 FCADRP CC(C)Oc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000527374167 490720843 /nfs/dbraw/zinc/72/08/43/490720843.db2.gz RKMXJJQSUNVJQX-UHFFFAOYSA-N 2 0 365.478 0.759 20 0 FCADRP COc1ncc(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527373803 490720901 /nfs/dbraw/zinc/72/09/01/490720901.db2.gz HIIUFQUPGNMXOO-UHFFFAOYSA-N 2 0 351.451 0.289 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000502836133 490723753 /nfs/dbraw/zinc/72/37/53/490723753.db2.gz NYKQTJFMCZYTIQ-WCVJEAGWSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000557090453 491352883 /nfs/dbraw/zinc/35/28/83/491352883.db2.gz MLTMSHNICCQFEP-KRWDZBQOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000572068458 491346738 /nfs/dbraw/zinc/34/67/38/491346738.db2.gz XYSJYKXXYDKTTD-RRFJBIMHSA-N 2 0 354.495 0.201 20 0 FCADRP COC(=O)CCN1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320957 490776732 /nfs/dbraw/zinc/77/67/32/490776732.db2.gz XCMXTTJPYVUTOM-WCXIOVBPSA-N 2 0 357.495 0.026 20 0 FCADRP CN1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C[NH3+])C1 ZINC000557151606 491356714 /nfs/dbraw/zinc/35/67/14/491356714.db2.gz UZZYOMSYHJVFMR-KRWDZBQOSA-N 2 0 363.506 0.454 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000557168634 491357898 /nfs/dbraw/zinc/35/78/98/491357898.db2.gz GWXPCCKPSJZVLT-LAUBAEHRSA-N 2 0 370.497 0.588 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000557190391 491358572 /nfs/dbraw/zinc/35/85/72/491358572.db2.gz MQNKAQZRLFAJRN-WBVHZDCISA-N 2 0 370.419 0.870 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000557190386 491358670 /nfs/dbraw/zinc/35/86/70/491358670.db2.gz MQNKAQZRLFAJRN-DOTOQJQBSA-N 2 0 370.419 0.870 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515643063 490834418 /nfs/dbraw/zinc/83/44/18/490834418.db2.gz YBWMGKCWKKEKBI-QGZVFWFLSA-N 2 0 369.473 0.820 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731132 490837920 /nfs/dbraw/zinc/83/79/20/490837920.db2.gz HVOYBFGNEFKJBA-OAHLLOKOSA-N 2 0 367.494 0.193 20 0 FCADRP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1S(C)(=O)=O ZINC000515833756 490840203 /nfs/dbraw/zinc/84/02/03/490840203.db2.gz RFDHVYBFZIFDGF-INIZCTEOSA-N 2 0 355.504 0.096 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224461 491361298 /nfs/dbraw/zinc/36/12/98/491361298.db2.gz JENATBPKJNDRCU-VQIMIIECSA-N 2 0 360.458 0.496 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000516027843 490846764 /nfs/dbraw/zinc/84/67/64/490846764.db2.gz XUDWPSQHWDHILL-KRWDZBQOSA-N 2 0 360.458 0.426 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529309048 490849609 /nfs/dbraw/zinc/84/96/09/490849609.db2.gz YHAJKTVUQRHQEV-DLBZAZTESA-N 2 0 353.511 0.032 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1COCC[NH2+]1 ZINC000529308676 490849720 /nfs/dbraw/zinc/84/97/20/490849720.db2.gz WHWAPDUWKKNUDE-KRWDZBQOSA-N 2 0 362.474 0.949 20 0 FCADRP O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000516173822 490854400 /nfs/dbraw/zinc/85/44/00/490854400.db2.gz ALKCXVPRPQWKQT-QZTJIDSGSA-N 2 0 362.518 0.779 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000541210644 490855394 /nfs/dbraw/zinc/85/53/94/490855394.db2.gz AFAPQUJZWRFVJH-RDJZCZTQSA-N 2 0 369.506 0.613 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000541267510 490856808 /nfs/dbraw/zinc/85/68/08/490856808.db2.gz WNNIUFJVEAKFSX-RCCFBDPRSA-N 2 0 352.523 0.439 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000529377338 490857886 /nfs/dbraw/zinc/85/78/86/490857886.db2.gz VDYLOJMGHQZWLK-KSZLIROESA-N 2 0 362.474 0.157 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516555846 490868076 /nfs/dbraw/zinc/86/80/76/490868076.db2.gz ALYWDZBTNDIJSG-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516925710 490885178 /nfs/dbraw/zinc/88/51/78/490885178.db2.gz AITRXUVZYVJMAD-INIZCTEOSA-N 2 0 368.428 0.723 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000542166135 490887811 /nfs/dbraw/zinc/88/78/11/490887811.db2.gz FEVGXKTXYCYVHE-ROUUACIJSA-N 2 0 352.523 0.582 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000516990704 490889525 /nfs/dbraw/zinc/88/95/25/490889525.db2.gz MQZHIVYTBHAMPN-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241542 490895195 /nfs/dbraw/zinc/89/51/95/490895195.db2.gz QQOVSBDFSRUPCJ-PVAVHDDUSA-N 2 0 366.506 0.189 20 0 FCADRP CN1CCN(c2ncc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000530249723 490895273 /nfs/dbraw/zinc/89/52/73/490895273.db2.gz YCHVSMAXJVAGQW-LJQANCHMSA-N 2 0 374.533 0.819 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000517341160 490904765 /nfs/dbraw/zinc/90/47/65/490904765.db2.gz TWGIRLGQMWPQNB-HUUCEWRRSA-N 2 0 352.866 0.912 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000517367419 490905960 /nfs/dbraw/zinc/90/59/60/490905960.db2.gz KUOASYNLKUUJDU-OAHLLOKOSA-N 2 0 351.499 0.020 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000517367411 490906165 /nfs/dbraw/zinc/90/61/65/490906165.db2.gz KUOASYNLKUUJDU-HNNXBMFYSA-N 2 0 351.499 0.020 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000572344725 491363873 /nfs/dbraw/zinc/36/38/73/491363873.db2.gz QEXKJWCDTKEGBX-UHFFFAOYSA-N 3 0 361.490 0.223 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000530641186 490917196 /nfs/dbraw/zinc/91/71/96/490917196.db2.gz GTJIETOUUBJJQC-UHFFFAOYSA-N 2 0 370.519 0.307 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000517821309 490922537 /nfs/dbraw/zinc/92/25/37/490922537.db2.gz RRQUPTKONPAECT-HOTGVXAUSA-N 2 0 353.511 0.761 20 0 FCADRP COCC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530809469 490926247 /nfs/dbraw/zinc/92/62/47/490926247.db2.gz CFYKKUSDBGDPTF-HXUWFJFHSA-N 2 0 361.486 0.850 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000530881011 490929846 /nfs/dbraw/zinc/92/98/46/490929846.db2.gz URZQBMUHTAXYSB-UHFFFAOYSA-N 2 0 374.489 0.635 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000518290350 490935830 /nfs/dbraw/zinc/93/58/30/490935830.db2.gz HBLYLXRSQWOASC-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000518290725 490936209 /nfs/dbraw/zinc/93/62/09/490936209.db2.gz OEQOIJQAWLHAQH-OAHLLOKOSA-N 2 0 355.527 0.959 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054880 490938356 /nfs/dbraw/zinc/93/83/56/490938356.db2.gz XFQKTRZHEQWUNN-XLIONFOSSA-N 2 0 374.485 0.079 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000518443097 490941825 /nfs/dbraw/zinc/94/18/25/490941825.db2.gz FRNZZYAQVXLOCC-ZACQAIPSSA-N 2 0 367.538 0.993 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000565252367 491365726 /nfs/dbraw/zinc/36/57/26/491365726.db2.gz CMPFXJCVDKXGGY-NSHDSACASA-N 2 0 350.385 0.340 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000565253880 491365752 /nfs/dbraw/zinc/36/57/52/491365752.db2.gz KLTIVABAYLTWBD-RBSFLKMASA-N 2 0 351.495 0.450 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252967 491365872 /nfs/dbraw/zinc/36/58/72/491365872.db2.gz FZXVTQIFIYOGPQ-OIISXLGYSA-N 2 0 359.474 0.460 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000518814435 490952680 /nfs/dbraw/zinc/95/26/80/490952680.db2.gz FHPNPEKPZSWXCI-KRWDZBQOSA-N 2 0 373.501 0.620 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000565255356 491366680 /nfs/dbraw/zinc/36/66/80/491366680.db2.gz RRZGZGMFZMQXHO-IRXDYDNUSA-N 2 0 359.474 0.592 20 0 FCADRP COCCN1CC[C@@H]([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000544372270 490966796 /nfs/dbraw/zinc/96/67/96/490966796.db2.gz XTDPYJJXDHOWAF-CQSZACIVSA-N 2 0 357.476 0.195 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000519438145 490972355 /nfs/dbraw/zinc/97/23/55/490972355.db2.gz LZBZMSOEINBSEQ-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532347385 490991412 /nfs/dbraw/zinc/99/14/12/490991412.db2.gz WBULQUOCFNDQGV-GOSISDBHSA-N 2 0 351.539 0.251 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532347386 490991450 /nfs/dbraw/zinc/99/14/50/490991450.db2.gz WBULQUOCFNDQGV-SFHVURJKSA-N 2 0 351.539 0.251 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554042688 491172477 /nfs/dbraw/zinc/17/24/77/491172477.db2.gz BYWRBUIBDSJSTC-CAOSSQGBSA-N 2 0 354.495 0.201 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000572424564 491369740 /nfs/dbraw/zinc/36/97/40/491369740.db2.gz KSODZKLRPFNRNY-UHFFFAOYSA-N 2 0 362.474 0.067 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)CC1 ZINC000572466193 491371941 /nfs/dbraw/zinc/37/19/41/491371941.db2.gz RXTRKOXKUWAFEK-QYZOEREBSA-N 2 0 357.502 0.978 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000572467622 491372016 /nfs/dbraw/zinc/37/20/16/491372016.db2.gz RPRWHMDLYMAYHI-UHFFFAOYSA-N 2 0 350.507 0.991 20 0 FCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000565432232 491376206 /nfs/dbraw/zinc/37/62/06/491376206.db2.gz QNQUUHDNZAPUAC-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)C1CN(C(=O)C[C@@H](CC(C)(C)C)C(=O)N2CC([NH+](C)C)C2)C1 ZINC000557525970 491380674 /nfs/dbraw/zinc/38/06/74/491380674.db2.gz RQQHHTUURITNNF-AWEZNQCLSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565199 491383735 /nfs/dbraw/zinc/38/37/35/491383735.db2.gz XEOQMTIENWIZDC-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000565549302 491384138 /nfs/dbraw/zinc/38/41/38/491384138.db2.gz LDCARFGCBXZOPF-YESZJQIVSA-N 2 0 359.474 0.113 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3ccnc3C2)CCN1C ZINC000660280927 493339176 /nfs/dbraw/zinc/33/91/76/493339176.db2.gz KQONFYXAHWAAIP-JKSUJKDBSA-N 2 0 361.490 0.703 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000557766267 491396867 /nfs/dbraw/zinc/39/68/67/491396867.db2.gz CADNHJDUHJBHGP-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845400 491397378 /nfs/dbraw/zinc/39/73/78/491397378.db2.gz QNUPHNFJHIZAIC-BRWVUGGUSA-N 2 0 366.506 0.141 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000565765500 491398020 /nfs/dbraw/zinc/39/80/20/491398020.db2.gz SREJLENGMUXOJL-BRWVUGGUSA-N 2 0 353.511 0.039 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000565782470 491399248 /nfs/dbraw/zinc/39/92/48/491399248.db2.gz IEPJMHUWGSOOOG-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904867 491404390 /nfs/dbraw/zinc/40/43/90/491404390.db2.gz JDEKQANPOUMASC-ZBFHGGJFSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000558007567 491408495 /nfs/dbraw/zinc/40/84/95/491408495.db2.gz VMNSCNPNWMLDAA-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000565998610 491411570 /nfs/dbraw/zinc/41/15/70/491411570.db2.gz BWKHFZPXNRHYCB-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CCN(C(=O)[C@@H](C)[NH+]1CC(C)C1)C1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000573135646 491415275 /nfs/dbraw/zinc/41/52/75/491415275.db2.gz CGNBGRREBHLJIV-JKSUJKDBSA-N 2 0 350.507 0.726 20 0 FCADRP CCN(C(=O)[C@H](C)[NH+]1CC(C)C1)C1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000573135643 491415477 /nfs/dbraw/zinc/41/54/77/491415477.db2.gz CGNBGRREBHLJIV-CVEARBPZSA-N 2 0 350.507 0.726 20 0 FCADRP C[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccccc2)(N2CCOCC2)CC1 ZINC000566118895 491418788 /nfs/dbraw/zinc/41/87/88/491418788.db2.gz JLQRINLQDOFYQC-SFHVURJKSA-N 2 0 363.502 0.813 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209460 491419557 /nfs/dbraw/zinc/41/95/57/491419557.db2.gz OHVUBKFLHKFVLH-OAGGEKHMSA-N 2 0 354.495 0.202 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000566171385 491422330 /nfs/dbraw/zinc/42/23/30/491422330.db2.gz DEZYDEJIZSEQRC-KRWDZBQOSA-N 2 0 362.449 0.728 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000566179145 491423342 /nfs/dbraw/zinc/42/33/42/491423342.db2.gz OKUUUNUEOPWXRS-SFHVURJKSA-N 2 0 360.502 0.959 20 0 FCADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000566180283 491423399 /nfs/dbraw/zinc/42/33/99/491423399.db2.gz APNZADNHBNSLIO-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373080 493342562 /nfs/dbraw/zinc/34/25/62/493342562.db2.gz YBKLACKYESBEIP-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000566304317 491434098 /nfs/dbraw/zinc/43/40/98/491434098.db2.gz XHGKJBRVHRHPED-IXDOHACOSA-N 2 0 358.490 0.575 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000566479812 491446847 /nfs/dbraw/zinc/44/68/47/491446847.db2.gz BRUJNTILMCZNLG-SFHVURJKSA-N 2 0 372.469 0.942 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508775 491449851 /nfs/dbraw/zinc/44/98/51/491449851.db2.gz ZCXDWKPLRVINEC-BRWVUGGUSA-N 2 0 357.458 0.214 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000573758960 491453051 /nfs/dbraw/zinc/45/30/51/491453051.db2.gz KQKRPUNGUXZEIE-OAHLLOKOSA-N 2 0 350.438 0.666 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)C[C@H](C)O1 ZINC000566673699 491459434 /nfs/dbraw/zinc/45/94/34/491459434.db2.gz XJRAMZGSWIOTEY-JZXOWHBKSA-N 2 0 364.490 0.478 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nccs1 ZINC000573879277 491460675 /nfs/dbraw/zinc/46/06/75/491460675.db2.gz SESQTRZRAOEVTH-CYBMUJFWSA-N 2 0 355.508 0.315 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000559292114 491462339 /nfs/dbraw/zinc/46/23/39/491462339.db2.gz ITYPWQPMRVNEBQ-IXDOHACOSA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573942108 491464196 /nfs/dbraw/zinc/46/41/96/491464196.db2.gz BNAVAEMJUYWPHO-ZIAGYGMSSA-N 2 0 365.444 0.804 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000559396434 491470183 /nfs/dbraw/zinc/47/01/83/491470183.db2.gz NFHIIDDBOCQGOP-HZPDHXFCSA-N 2 0 368.522 0.593 20 0 FCADRP COC[C@@]1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000574036603 491470444 /nfs/dbraw/zinc/47/04/44/491470444.db2.gz RWRQHZYBDKOWRI-OAQYLSRUSA-N 2 0 374.529 0.937 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000559414718 491470949 /nfs/dbraw/zinc/47/09/49/491470949.db2.gz DJEWSHMHGAQQPL-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000574107557 491474963 /nfs/dbraw/zinc/47/49/63/491474963.db2.gz IPLROLIJSKMEGC-HNNXBMFYSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000559454426 491475133 /nfs/dbraw/zinc/47/51/33/491475133.db2.gz UNLRCFMQPNVIRM-KRWDZBQOSA-N 2 0 362.474 0.153 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000559465334 491475943 /nfs/dbraw/zinc/47/59/43/491475943.db2.gz LSGWZORSPQMKHY-QGZVFWFLSA-N 2 0 350.507 0.923 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000574150398 491477407 /nfs/dbraw/zinc/47/74/07/491477407.db2.gz BJSLKVFWVAWBLO-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000559563233 491481778 /nfs/dbraw/zinc/48/17/78/491481778.db2.gz HHZHIQGOIUYUGZ-HNNXBMFYSA-N 2 0 350.507 0.990 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390210 493345712 /nfs/dbraw/zinc/34/57/12/493345712.db2.gz NRWPPIXIEHOIDV-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)N1CC(C)C1 ZINC000567122641 491487372 /nfs/dbraw/zinc/48/73/72/491487372.db2.gz NCVXVNUEHDZVON-CQSZACIVSA-N 2 0 368.503 0.805 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000559746807 491495240 /nfs/dbraw/zinc/49/52/40/491495240.db2.gz FPCZROWLLVPZJL-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466449 491499383 /nfs/dbraw/zinc/49/93/83/491499383.db2.gz GRUQHKHRPXWEDX-QZTJIDSGSA-N 2 0 371.485 0.736 20 0 FCADRP Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000574499541 491500545 /nfs/dbraw/zinc/50/05/45/491500545.db2.gz RXQSLNYAQDAGCQ-OAHLLOKOSA-N 2 0 374.485 0.931 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000567362040 491502094 /nfs/dbraw/zinc/50/20/94/491502094.db2.gz JTHBPYPEPOCTPR-GVDBMIGSSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000567362039 491502208 /nfs/dbraw/zinc/50/22/08/491502208.db2.gz JTHBPYPEPOCTPR-BRWVUGGUSA-N 2 0 365.522 0.713 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000559863036 491505560 /nfs/dbraw/zinc/50/55/60/491505560.db2.gz NLCIYSKJUMLHQO-SFHVURJKSA-N 2 0 370.563 0.921 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000559867250 491506083 /nfs/dbraw/zinc/50/60/83/491506083.db2.gz FVVDNOBOPOOYNH-YJBOKZPZSA-N 2 0 368.547 0.673 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000559868488 491506587 /nfs/dbraw/zinc/50/65/87/491506587.db2.gz YIXZDAZZGVMFEW-SFHVURJKSA-N 2 0 368.547 0.531 20 0 FCADRP C[C@H](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488050 491509375 /nfs/dbraw/zinc/50/93/75/491509375.db2.gz DNCJJRASMHPVFF-BPQIPLTHSA-N 2 0 373.501 0.850 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000574645332 491510698 /nfs/dbraw/zinc/51/06/98/491510698.db2.gz QCUCRPOYPZWTJG-KRWDZBQOSA-N 2 0 350.507 0.764 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCC(C)CC1 ZINC000560027504 491516472 /nfs/dbraw/zinc/51/64/72/491516472.db2.gz HLSVQNJPDSFNIF-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567605717 491517375 /nfs/dbraw/zinc/51/73/75/491517375.db2.gz BKWNQZIUPLEUNR-FUHWJXTLSA-N 2 0 351.491 0.798 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668397986 493347867 /nfs/dbraw/zinc/34/78/67/493347867.db2.gz UCVICPRIMJZXJZ-KRWDZBQOSA-N 2 0 366.506 0.348 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574808882 491521565 /nfs/dbraw/zinc/52/15/65/491521565.db2.gz ICBIZVMLDKRAHW-RTBURBONSA-N 2 0 357.502 0.800 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)cn2)CC1 ZINC000567714307 491524842 /nfs/dbraw/zinc/52/48/42/491524842.db2.gz VYMUSACDKNTITL-MSOLQXFVSA-N 2 0 372.517 0.974 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567754343 491527250 /nfs/dbraw/zinc/52/72/50/491527250.db2.gz IGSIBLIRIYJTFV-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000567780528 491529303 /nfs/dbraw/zinc/52/93/03/491529303.db2.gz WTKCKIRENVLWDK-KRWDZBQOSA-N 2 0 362.474 0.502 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cnc(N3CCCC3)nc2)C1)N1CC[NH2+]CC1 ZINC000574988509 491532229 /nfs/dbraw/zinc/53/22/29/491532229.db2.gz ASCLVEQWDHDZTH-QGZVFWFLSA-N 2 0 358.490 0.721 20 0 FCADRP COC[C@@]1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCC[NH2+]1 ZINC000567872114 491536442 /nfs/dbraw/zinc/53/64/42/491536442.db2.gz HWQVEDBEARSSNF-QAPCUYQASA-N 2 0 354.495 0.650 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000575108638 491539680 /nfs/dbraw/zinc/53/96/80/491539680.db2.gz WMLMEFVZGAXTGI-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000567928244 491541975 /nfs/dbraw/zinc/54/19/75/491541975.db2.gz JLACXLJWSDZFPR-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568059265 491551142 /nfs/dbraw/zinc/55/11/42/491551142.db2.gz GAIFPZMHYZAZJW-CVEARBPZSA-N 2 0 351.495 0.324 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000560732908 491554115 /nfs/dbraw/zinc/55/41/15/491554115.db2.gz MAHQCLQPUNKLLF-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000575812826 491562804 /nfs/dbraw/zinc/56/28/04/491562804.db2.gz SLLJVTWDXHXFEJ-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000561121472 491576284 /nfs/dbraw/zinc/57/62/84/491576284.db2.gz MYDLNUBLDIHZLX-WBVHZDCISA-N 2 0 366.506 0.347 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561148423 491578743 /nfs/dbraw/zinc/57/87/43/491578743.db2.gz YTJBQJJMAKPMPQ-RTBURBONSA-N 2 0 357.502 0.950 20 0 FCADRP COCC1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000561211770 491583451 /nfs/dbraw/zinc/58/34/51/491583451.db2.gz AHZQKPAWNARSSE-QGZVFWFLSA-N 2 0 368.522 0.756 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000568610191 491591211 /nfs/dbraw/zinc/59/12/11/491591211.db2.gz QEONTCWXEBSTHU-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000584496528 491597807 /nfs/dbraw/zinc/59/78/07/491597807.db2.gz HSNFNYJXSYUNMH-HOTGVXAUSA-N 2 0 350.507 0.943 20 0 FCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576468437 491617668 /nfs/dbraw/zinc/61/76/68/491617668.db2.gz DZPHUFJOADXPJA-DLBZAZTESA-N 2 0 360.506 0.883 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000576493597 491619935 /nfs/dbraw/zinc/61/99/35/491619935.db2.gz VYKSSHJWZXEPBN-HUUCEWRRSA-N 2 0 352.866 0.927 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594369 491627982 /nfs/dbraw/zinc/62/79/82/491627982.db2.gz UONFWZCZYGYZAL-LJQANCHMSA-N 2 0 356.555 0.416 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000569049135 491630137 /nfs/dbraw/zinc/63/01/37/491630137.db2.gz YDXYKDCLFMDDNT-IRXDYDNUSA-N 2 0 366.506 0.081 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCCO1 ZINC000577533886 491630246 /nfs/dbraw/zinc/63/02/46/491630246.db2.gz LDBMODIFOSYLSD-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCCO1 ZINC000577533885 491630450 /nfs/dbraw/zinc/63/04/50/491630450.db2.gz LDBMODIFOSYLSD-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562969 491632862 /nfs/dbraw/zinc/63/28/62/491632862.db2.gz YPQHYTMRMSVGBP-PBHICJAKSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc2ccccc2c1 ZINC000569121093 491635527 /nfs/dbraw/zinc/63/55/27/491635527.db2.gz BWKDTRCMSQKNKL-BZSNNMDCSA-N 2 0 367.453 0.793 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569120059 491635650 /nfs/dbraw/zinc/63/56/50/491635650.db2.gz YCACFNUKOPYANU-WBVHZDCISA-N 2 0 353.507 0.994 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000577672584 491642107 /nfs/dbraw/zinc/64/21/07/491642107.db2.gz XQKPTHMNPIOANN-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000569243364 491645209 /nfs/dbraw/zinc/64/52/09/491645209.db2.gz JMWGGJPUZGQVBZ-UHFFFAOYSA-N 2 0 356.511 0.260 20 0 FCADRP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CN(C)CCN2C)cc1 ZINC000577742234 491647690 /nfs/dbraw/zinc/64/76/90/491647690.db2.gz FWPWLOARTBTHGL-OALUTQOASA-N 2 0 363.502 0.783 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000569334077 491653265 /nfs/dbraw/zinc/65/32/65/491653265.db2.gz WPSNUBXPBSTVFV-OAHLLOKOSA-N 2 0 351.495 0.324 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411425 491659502 /nfs/dbraw/zinc/65/95/02/491659502.db2.gz IEJLSNPGIROKAE-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)N1CC[NH2+]CC1 ZINC000576989216 491662757 /nfs/dbraw/zinc/66/27/57/491662757.db2.gz VHKFZSCTAYRKQV-INIZCTEOSA-N 2 0 372.535 0.135 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)c2)CC1 ZINC000577018340 491665028 /nfs/dbraw/zinc/66/50/28/491665028.db2.gz KXZXSJACAGFNJQ-NRFANRHFSA-N 2 0 372.513 0.621 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCOCC1 ZINC000578122386 491670317 /nfs/dbraw/zinc/67/03/17/491670317.db2.gz AMCXJUKGGGUWBA-JKSUJKDBSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000578156900 491670996 /nfs/dbraw/zinc/67/09/96/491670996.db2.gz GKWYQRRLEPBHKG-XHSDSOJGSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CCN(c3cnccn3)CC1)CC[NH2+]CC2 ZINC000578231600 491672782 /nfs/dbraw/zinc/67/27/82/491672782.db2.gz PVULZSOQNMREQL-INIZCTEOSA-N 2 0 358.490 0.589 20 0 FCADRP COCC1(CNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC[NH2+]CC1 ZINC000578306541 491674215 /nfs/dbraw/zinc/67/42/15/491674215.db2.gz PXGYJYAHVSJLQA-SJORKVTESA-N 2 0 368.522 0.945 20 0 FCADRP CSc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000578910410 491687080 /nfs/dbraw/zinc/68/70/80/491687080.db2.gz SLZWBGFXUUOLMP-UHFFFAOYSA-N 2 0 367.519 0.372 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC000578992518 491688482 /nfs/dbraw/zinc/68/84/82/491688482.db2.gz OFZJQCYCXDGTKG-LULLPPNCSA-N 2 0 353.470 0.997 20 0 FCADRP COCCCn1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000579109652 491691162 /nfs/dbraw/zinc/69/11/62/491691162.db2.gz WIMJLHZBIHWXLK-WMZOPIPTSA-N 2 0 363.506 1.000 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000579178246 491692465 /nfs/dbraw/zinc/69/24/65/491692465.db2.gz APALMOZSGJOHCE-GJZGRUSLSA-N 2 0 352.479 0.113 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCCCC1 ZINC000579394441 491697211 /nfs/dbraw/zinc/69/72/11/491697211.db2.gz NJMUZJLEMOAVSE-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461752 491698186 /nfs/dbraw/zinc/69/81/86/491698186.db2.gz PIFKOKIQLTUMIK-HZPDHXFCSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000579692481 491703021 /nfs/dbraw/zinc/70/30/21/491703021.db2.gz BCJYBMGOSJVXIZ-HNNXBMFYSA-N 2 0 362.540 0.431 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000579715222 491703756 /nfs/dbraw/zinc/70/37/56/491703756.db2.gz UIDDBJDJFPIRFA-OAGGEKHMSA-N 2 0 354.495 0.250 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584778587 491713960 /nfs/dbraw/zinc/71/39/60/491713960.db2.gz PNMOVXBXFFCZSZ-PBHICJAKSA-N 2 0 359.474 0.591 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000580031356 491714189 /nfs/dbraw/zinc/71/41/89/491714189.db2.gz GSYCPYOMEBVMFK-KRWDZBQOSA-N 2 0 357.568 0.749 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000584781366 491714265 /nfs/dbraw/zinc/71/42/65/491714265.db2.gz LYJCTPZDLRFISZ-LZLYRXPVSA-N 2 0 360.502 0.909 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000580062309 491715264 /nfs/dbraw/zinc/71/52/64/491715264.db2.gz DOAWSAKRIVZLTL-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000580319922 491726133 /nfs/dbraw/zinc/72/61/33/491726133.db2.gz FFONEBLXMBAPMZ-MRXNPFEDSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580414416 491730255 /nfs/dbraw/zinc/73/02/55/491730255.db2.gz SSQMIMDIULFRAF-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000580559630 491736236 /nfs/dbraw/zinc/73/62/36/491736236.db2.gz SGYGXBQBIRDLDA-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000580629667 491739255 /nfs/dbraw/zinc/73/92/55/491739255.db2.gz CZZNPRTXHHBXLG-INIZCTEOSA-N 2 0 374.485 0.744 20 0 FCADRP C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000580631975 491739367 /nfs/dbraw/zinc/73/93/67/491739367.db2.gz HSGMDPBVZYBYFS-JSGCOSHPSA-N 2 0 363.428 0.772 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882632 491750024 /nfs/dbraw/zinc/75/00/24/491750024.db2.gz GFAJBRMXPCQVMT-KWCYVHTRSA-N 2 0 363.428 0.604 20 0 FCADRP C[C@@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000581071315 491758188 /nfs/dbraw/zinc/75/81/88/491758188.db2.gz OPROLBYASSZERR-CQSZACIVSA-N 2 0 368.503 0.034 20 0 FCADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000581245813 491765626 /nfs/dbraw/zinc/76/56/26/491765626.db2.gz ZIQMLTXQWVLLCS-OAHLLOKOSA-N 2 0 372.469 0.863 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1)CC[NH2+]CC2 ZINC000581246234 491765738 /nfs/dbraw/zinc/76/57/38/491765738.db2.gz MUNOXXHQKWZYAL-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000581418564 491772186 /nfs/dbraw/zinc/77/21/86/491772186.db2.gz YWWITAHCOJRXPR-MRXNPFEDSA-N 2 0 365.522 0.713 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000581443384 491773284 /nfs/dbraw/zinc/77/32/84/491773284.db2.gz XMGYRIUJKSVSMV-UHFFFAOYSA-N 2 0 373.501 0.716 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CCCO1 ZINC000581450052 491773821 /nfs/dbraw/zinc/77/38/21/491773821.db2.gz QWURERRGDAASAU-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581500303 491775281 /nfs/dbraw/zinc/77/52/81/491775281.db2.gz MXOUUOGRAIWUSN-OALUTQOASA-N 2 0 372.513 0.878 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585260 493363893 /nfs/dbraw/zinc/36/38/93/493363893.db2.gz PHEFXHWJJNDHDP-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581895891 491789421 /nfs/dbraw/zinc/78/94/21/491789421.db2.gz RXFGDHHDPZPJNZ-XHSDSOJGSA-N 2 0 351.495 0.450 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000582141619 491800200 /nfs/dbraw/zinc/80/02/00/491800200.db2.gz ZQZJQPIRPNFBDU-MRXNPFEDSA-N 2 0 374.485 0.261 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000582414633 491811343 /nfs/dbraw/zinc/81/13/43/491811343.db2.gz QRRXXLZTFOWGDN-RTBURBONSA-N 2 0 370.497 0.789 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000582434711 491812601 /nfs/dbraw/zinc/81/26/01/491812601.db2.gz HSUXFYHEJKINGR-XNJGSVPQSA-N 2 0 354.520 0.281 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476478 491814107 /nfs/dbraw/zinc/81/41/07/491814107.db2.gz ZHQRWHRQINAUFX-YOEHRIQHSA-N 2 0 356.536 0.821 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991073 491835590 /nfs/dbraw/zinc/83/55/90/491835590.db2.gz XLSHOIYZHTZLKI-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142735 491838849 /nfs/dbraw/zinc/83/88/49/491838849.db2.gz IXHGPKVMRCPRDQ-MJGOQNOKSA-N 2 0 354.458 0.832 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253363 491840841 /nfs/dbraw/zinc/84/08/41/491840841.db2.gz QOZMQHSSSYHGMH-KGLIPLIRSA-N 2 0 354.495 0.548 20 0 FCADRP C[NH2+]C[C@](C)(O)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000583327465 491842529 /nfs/dbraw/zinc/84/25/29/491842529.db2.gz PDBASOFEGQQACX-IBGZPJMESA-N 2 0 350.507 0.719 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434843 491844745 /nfs/dbraw/zinc/84/47/45/491844745.db2.gz GHNRWGJPFWTTNH-XLIONFOSSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C[C@@H]21 ZINC000583559063 491847473 /nfs/dbraw/zinc/84/74/73/491847473.db2.gz UOWZJPPYZCWRRX-XBVQOTNRSA-N 2 0 360.433 0.241 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583687791 491850172 /nfs/dbraw/zinc/85/01/72/491850172.db2.gz VHSTUNIOVHTOOV-WMZOPIPTSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000583823717 491852860 /nfs/dbraw/zinc/85/28/60/491852860.db2.gz FNILGCDXKJDVJB-RRQGHBQHSA-N 2 0 368.441 0.887 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583861791 491853416 /nfs/dbraw/zinc/85/34/16/491853416.db2.gz VUWKVJUHGJXXSO-CRCOGDFISA-N 2 0 362.518 0.951 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(C[NH+](C)C)nc3)CC2)C1=O ZINC000583995919 491856296 /nfs/dbraw/zinc/85/62/96/491856296.db2.gz CHHQDYJNOUYLMW-QGZVFWFLSA-N 2 0 359.474 0.568 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000584110099 491858663 /nfs/dbraw/zinc/85/86/63/491858663.db2.gz PLVSNTUPTPHJJQ-LSDHHAIUSA-N 2 0 350.467 0.117 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[NH2+]CC1 ZINC000584292279 491862389 /nfs/dbraw/zinc/86/23/89/491862389.db2.gz BUXKOUZDVPCYED-UHFFFAOYSA-N 2 0 371.547 0.924 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611839623 491877347 /nfs/dbraw/zinc/87/73/47/491877347.db2.gz VRKAJZIOFBZYEQ-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000612484907 491924536 /nfs/dbraw/zinc/92/45/36/491924536.db2.gz IWTLPZINENYPAX-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612593879 491936343 /nfs/dbraw/zinc/93/63/43/491936343.db2.gz GBIXKYJFIFVQFI-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595056 491936905 /nfs/dbraw/zinc/93/69/05/491936905.db2.gz ITAROEVBKUOYPL-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974020 491960725 /nfs/dbraw/zinc/96/07/25/491960725.db2.gz NNLBASVWTANSOS-GJZGRUSLSA-N 2 0 351.495 0.370 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000612992468 491961517 /nfs/dbraw/zinc/96/15/17/491961517.db2.gz GEHFDUCDROXYPN-XHSDSOJGSA-N 2 0 363.506 0.418 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+](C)C1 ZINC000596963877 492006999 /nfs/dbraw/zinc/00/69/99/492006999.db2.gz ITHPTHHAIQMTNJ-KRWDZBQOSA-N 2 0 366.506 0.855 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccccc1 ZINC000603177179 492016919 /nfs/dbraw/zinc/01/69/19/492016919.db2.gz NBRMBJVQRYPBMU-MRXNPFEDSA-N 2 0 362.503 0.889 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000597226094 492023397 /nfs/dbraw/zinc/02/33/97/492023397.db2.gz QZZDPMPIOPIMCD-DLBZAZTESA-N 2 0 365.522 0.855 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000614437070 492029771 /nfs/dbraw/zinc/02/97/71/492029771.db2.gz BXDISYNOBNNZDF-SFHVURJKSA-N 2 0 352.523 0.727 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000604639972 492065455 /nfs/dbraw/zinc/06/54/55/492065455.db2.gz DBZKWEVYJOQOSE-KZNAEPCWSA-N 2 0 365.522 0.319 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000604641316 492066192 /nfs/dbraw/zinc/06/61/92/492066192.db2.gz OVNAHFYYLXAHCC-KURKYZTESA-N 2 0 365.522 0.319 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668605 492067773 /nfs/dbraw/zinc/06/77/73/492067773.db2.gz GTCBHXKEASZKTI-GOSISDBHSA-N 2 0 367.538 0.376 20 0 FCADRP O=C(COC[C@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000605124654 492082861 /nfs/dbraw/zinc/08/28/61/492082861.db2.gz FUUJWPMHSRNDAZ-KRWDZBQOSA-N 2 0 362.474 0.763 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000605985842 492110306 /nfs/dbraw/zinc/11/03/06/492110306.db2.gz PHOKQZUXAOPEEQ-ZWKOTPCHSA-N 2 0 367.538 0.255 20 0 FCADRP C[C@H](NC(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700706 492127404 /nfs/dbraw/zinc/12/74/04/492127404.db2.gz OXDLDLKBCXZXEO-WMZOPIPTSA-N 2 0 367.538 0.375 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000599091499 492134598 /nfs/dbraw/zinc/13/45/98/492134598.db2.gz APYUMKVKOSUKLN-HOCLYGCPSA-N 2 0 355.479 0.223 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000599156446 492138490 /nfs/dbraw/zinc/13/84/90/492138490.db2.gz CXMKGKUJJFEGHN-CVEARBPZSA-N 2 0 354.495 0.997 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)NC1CCCCC1 ZINC000607234981 492141592 /nfs/dbraw/zinc/14/15/92/492141592.db2.gz VNMNLATXQMMLNQ-UHFFFAOYSA-N 2 0 355.527 0.960 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607245343 492142118 /nfs/dbraw/zinc/14/21/18/492142118.db2.gz LRVPMBZXNZVMKX-CVEARBPZSA-N 2 0 355.527 0.768 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000608691083 492187098 /nfs/dbraw/zinc/18/70/98/492187098.db2.gz SQRTWRIGDVERQX-JKSUJKDBSA-N 2 0 353.511 0.746 20 0 FCADRP COC(=O)[C@@H]1CC12CC[NH+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)CC2 ZINC000610259358 492240184 /nfs/dbraw/zinc/24/01/84/492240184.db2.gz RCUYUKMXCLOUSZ-KBPBESRZSA-N 2 0 351.447 0.341 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627428669 492292198 /nfs/dbraw/zinc/29/21/98/492292198.db2.gz LKFCOTDINPSOGP-AVGNSLFASA-N 2 0 364.412 0.573 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826611 492311383 /nfs/dbraw/zinc/31/13/83/492311383.db2.gz OATZXMPUEFQRHT-ZWKOTPCHSA-N 2 0 369.554 0.811 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000627474765 492312634 /nfs/dbraw/zinc/31/26/34/492312634.db2.gz WXQKTCSAIUIWPM-QGZVFWFLSA-N 2 0 374.485 0.214 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@@H]1CC[N@H+](C)C1 ZINC000647568841 492317920 /nfs/dbraw/zinc/31/79/20/492317920.db2.gz UXKDFQJJGZIHPN-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000627507444 492326770 /nfs/dbraw/zinc/32/67/70/492326770.db2.gz SVPCACGSMTURBT-KYHPRHEASA-N 2 0 358.486 0.974 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000642094871 492333629 /nfs/dbraw/zinc/33/36/29/492333629.db2.gz IJNBANWHPZVJLA-KZNAEPCWSA-N 2 0 360.502 0.861 20 0 FCADRP CC(C)[NH+](C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334809 /nfs/dbraw/zinc/33/48/09/492334809.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 2 0 354.417 0.830 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236460 492343159 /nfs/dbraw/zinc/34/31/59/492343159.db2.gz WEHXUPWIPJBJIR-RCJHGTSTSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)([NH+](C)C)C1 ZINC000642236391 492343370 /nfs/dbraw/zinc/34/33/70/492343370.db2.gz GASRDVJILFPEDZ-INJPQVFBSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253889 492345316 /nfs/dbraw/zinc/34/53/16/492345316.db2.gz OXIHOEKIGVPHMD-FUHWJXTLSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000620931880 492346322 /nfs/dbraw/zinc/34/63/22/492346322.db2.gz SCNWEMBICFCPIM-QGZVFWFLSA-N 2 0 350.507 0.635 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642302692 492349830 /nfs/dbraw/zinc/34/98/30/492349830.db2.gz VDCNYJPTTJRASR-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000642318734 492349994 /nfs/dbraw/zinc/34/99/94/492349994.db2.gz PRSQMQRCZIBFIU-QAPCUYQASA-N 2 0 374.485 0.473 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000642332351 492351582 /nfs/dbraw/zinc/35/15/82/492351582.db2.gz GGTMVWGBINBUEH-NJAFHUGGSA-N 2 0 373.501 0.039 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642330545 492352093 /nfs/dbraw/zinc/35/20/93/492352093.db2.gz TTXRDWYQEPIQLB-QXSJWSMHSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642495873 492360003 /nfs/dbraw/zinc/36/00/03/492360003.db2.gz ZCHUBKAVBNGFDG-NJAFHUGGSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642550347 492363730 /nfs/dbraw/zinc/36/37/30/492363730.db2.gz AMASLAZCYGKHFV-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640703 492368147 /nfs/dbraw/zinc/36/81/47/492368147.db2.gz KLICKWHVAFIYSK-CEXWTWQISA-N 2 0 370.497 0.739 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640888 492369179 /nfs/dbraw/zinc/36/91/79/492369179.db2.gz ISOVKRBOMSCCRY-ZSYWTGECSA-N 2 0 370.497 0.963 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642645417 492370262 /nfs/dbraw/zinc/37/02/62/492370262.db2.gz KBSYTBWUJUYBEE-ARFHVFGLSA-N 2 0 354.495 0.332 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CCCCC1 ZINC000642732688 492382900 /nfs/dbraw/zinc/38/29/00/492382900.db2.gz QAQNWAGVOLWBRY-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642732905 492383116 /nfs/dbraw/zinc/38/31/16/492383116.db2.gz AGQIQCQLEJYRHM-QZTJIDSGSA-N 2 0 374.485 0.434 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642750889 492384901 /nfs/dbraw/zinc/38/49/01/492384901.db2.gz PDFITYWDOBVPAJ-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000642750516 492385157 /nfs/dbraw/zinc/38/51/57/492385157.db2.gz PEWYDFNPHSIRKA-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000642759503 492386436 /nfs/dbraw/zinc/38/64/36/492386436.db2.gz DGOLYHNYYWYVIO-ONIAQPFYSA-N 2 0 374.485 0.198 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642756695 492386479 /nfs/dbraw/zinc/38/64/79/492386479.db2.gz XFOZTAJAQUUFDE-FHWLQOOXSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642756696 492386714 /nfs/dbraw/zinc/38/67/14/492386714.db2.gz XFOZTAJAQUUFDE-GBESFXJTSA-N 2 0 370.497 0.835 20 0 FCADRP CC1([NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000642793205 492393377 /nfs/dbraw/zinc/39/33/77/492393377.db2.gz VMAAKDZBNKSARH-UHFFFAOYSA-N 2 0 368.547 0.804 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642801819 492395922 /nfs/dbraw/zinc/39/59/22/492395922.db2.gz KPAVGCJTSCSSGH-HKUYNNGSSA-N 2 0 370.497 0.978 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642893340 492397640 /nfs/dbraw/zinc/39/76/40/492397640.db2.gz HUKOEJGCXXRYTM-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000621642621 492399342 /nfs/dbraw/zinc/39/93/42/492399342.db2.gz RJMSTZRDYWXWRE-YESZJQIVSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000642901790 492399385 /nfs/dbraw/zinc/39/93/85/492399385.db2.gz DUGLSVCGCBOTHT-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096237 492402332 /nfs/dbraw/zinc/40/23/32/492402332.db2.gz PUBIHJQQQADJNV-CMKODMSKSA-N 2 0 361.486 0.537 20 0 FCADRP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642918179 492403164 /nfs/dbraw/zinc/40/31/64/492403164.db2.gz PFHXDDAELQMEKC-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918792 492403745 /nfs/dbraw/zinc/40/37/45/492403745.db2.gz CHYRTRZWFKBBEU-QGZVFWFLSA-N 2 0 358.486 0.835 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)C2)CC1 ZINC000642918407 492404111 /nfs/dbraw/zinc/40/41/11/492404111.db2.gz SVSSNWLMDRVWQO-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000642958605 492406921 /nfs/dbraw/zinc/40/69/21/492406921.db2.gz ZIQXZYGYZWPJHF-BPUTZDHNSA-N 2 0 366.506 0.406 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C3([NH3+])Cc4ccccc4C3)CC2)CC1 ZINC000648150854 492408917 /nfs/dbraw/zinc/40/89/17/492408917.db2.gz ICMRZVUQLFGVRX-UHFFFAOYSA-N 2 0 356.514 0.969 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979907 492409339 /nfs/dbraw/zinc/40/93/39/492409339.db2.gz OOQRSAQGYPLXKR-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980019 492410646 /nfs/dbraw/zinc/41/06/46/492410646.db2.gz UUPMIVQZFWQABA-MRXNPFEDSA-N 2 0 364.465 0.974 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983101 492411369 /nfs/dbraw/zinc/41/13/69/492411369.db2.gz GFVFNOOGVIGECN-WMZOPIPTSA-N 2 0 356.470 0.849 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643007699 492413302 /nfs/dbraw/zinc/41/33/02/492413302.db2.gz XSLLWAZJXNNZGS-OKZBNKHCSA-N 2 0 358.486 0.963 20 0 FCADRP NC(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000621808202 492413476 /nfs/dbraw/zinc/41/34/76/492413476.db2.gz AZLZLLQWFYLISL-UHFFFAOYSA-N 2 0 356.430 0.451 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643014621 492414290 /nfs/dbraw/zinc/41/42/90/492414290.db2.gz LYVIAZQJGFFECB-BZUAXINKSA-N 2 0 357.458 0.235 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c1 ZINC000621833901 492420824 /nfs/dbraw/zinc/42/08/24/492420824.db2.gz JRIRPTJMSKVDFO-ZDUSSCGKSA-N 2 0 363.462 0.759 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621844080 492424409 /nfs/dbraw/zinc/42/44/09/492424409.db2.gz OVIJUPADANVFBZ-CNTRQJEFSA-N 2 0 370.497 0.963 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551873 492454899 /nfs/dbraw/zinc/45/48/99/492454899.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 2 0 367.538 0.301 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512572 492462348 /nfs/dbraw/zinc/46/23/48/492462348.db2.gz OAHIQUKEALONEW-QZTJIDSGSA-N 2 0 350.507 0.478 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528230 492464042 /nfs/dbraw/zinc/46/40/42/492464042.db2.gz PMLAGRUEALWXEO-AEFFLSMTSA-N 2 0 369.473 0.968 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)C1 ZINC000635570925 492474869 /nfs/dbraw/zinc/47/48/69/492474869.db2.gz PBCNPQDUOMMGAN-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635573128 492474978 /nfs/dbraw/zinc/47/49/78/492474978.db2.gz RLOIQJCMSNHATL-QGZVFWFLSA-N 2 0 350.507 0.385 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000643478977 492475187 /nfs/dbraw/zinc/47/51/87/492475187.db2.gz YBBXFEWEMRNQEL-BHYGNILZSA-N 2 0 357.458 0.316 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000643478799 492475260 /nfs/dbraw/zinc/47/52/60/492475260.db2.gz GROLVCGIVMUFNL-KRWDZBQOSA-N 2 0 371.485 0.578 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484268 492478226 /nfs/dbraw/zinc/47/82/26/492478226.db2.gz MIIPZNNZSWQJBQ-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000643484737 492478341 /nfs/dbraw/zinc/47/83/41/492478341.db2.gz XQZSKFYYKGAXGX-QGZVFWFLSA-N 2 0 358.486 0.837 20 0 FCADRP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643494170 492481542 /nfs/dbraw/zinc/48/15/42/492481542.db2.gz NHNJDWONXMFXKY-HOCLYGCPSA-N 2 0 354.495 0.140 20 0 FCADRP NC(=O)C1CC[NH+](CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911981 492486307 /nfs/dbraw/zinc/48/63/07/492486307.db2.gz QBGHQANUPLSRGY-NSHDSACASA-N 2 0 353.389 0.153 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643513620 492486396 /nfs/dbraw/zinc/48/63/96/492486396.db2.gz QYJMDCQGHGEYGW-SJORKVTESA-N 2 0 367.538 0.057 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000643531890 492492157 /nfs/dbraw/zinc/49/21/57/492492157.db2.gz SRSJXPYXDWVKOG-QRVBRYPASA-N 2 0 370.497 0.930 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643539820 492493966 /nfs/dbraw/zinc/49/39/66/492493966.db2.gz VIKFVYHQCXTADO-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000643549828 492497203 /nfs/dbraw/zinc/49/72/03/492497203.db2.gz TYUXYZCLUDBRLG-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549863 492498072 /nfs/dbraw/zinc/49/80/72/492498072.db2.gz WWCSBHYTVAZUOU-FSDCSDTHSA-N 2 0 364.490 0.036 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643558637 492498503 /nfs/dbraw/zinc/49/85/03/492498503.db2.gz PAJSCFWGFDIPGB-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643560037 492499021 /nfs/dbraw/zinc/49/90/21/492499021.db2.gz FRVOTMHCEBGYOB-JKSUJKDBSA-N 2 0 364.515 0.849 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCO1 ZINC000643577751 492499939 /nfs/dbraw/zinc/49/99/39/492499939.db2.gz SRAYRDRNLRAUFW-ZBFHGGJFSA-N 2 0 366.462 0.135 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643586156 492500853 /nfs/dbraw/zinc/50/08/53/492500853.db2.gz YASHMLAAGAFITC-NXHRZFHOSA-N 2 0 358.486 0.915 20 0 FCADRP O=C(N1CCC(O)(C[NH+]2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635774597 492503545 /nfs/dbraw/zinc/50/35/45/492503545.db2.gz KGWQJWVQOLHJFB-UHFFFAOYSA-N 2 0 351.491 0.548 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000649302070 492528098 /nfs/dbraw/zinc/52/80/98/492528098.db2.gz RXKQCSXYBMYMCZ-YQQAZPJKSA-N 2 0 362.478 0.067 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321228 492532503 /nfs/dbraw/zinc/53/25/03/492532503.db2.gz PEZKBWXOJCQEAO-MSOLQXFVSA-N 2 0 374.485 0.236 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649328250 492535113 /nfs/dbraw/zinc/53/51/13/492535113.db2.gz ILKPESKQBFSOKG-ZDUSSCGKSA-N 2 0 350.467 0.432 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649333732 492536458 /nfs/dbraw/zinc/53/64/58/492536458.db2.gz SUAKJXPZNJKOMH-HNNXBMFYSA-N 2 0 362.478 0.577 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)c2)CC1 ZINC000649351844 492543929 /nfs/dbraw/zinc/54/39/29/492543929.db2.gz YDDSUYATGSWRHL-KRWDZBQOSA-N 2 0 369.473 0.812 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649350651 492544071 /nfs/dbraw/zinc/54/40/71/492544071.db2.gz WLCCZRFEJJLUGK-IBGZPJMESA-N 2 0 360.502 0.676 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649352015 492545515 /nfs/dbraw/zinc/54/55/15/492545515.db2.gz HVRGJIVKIPSFQO-INIZCTEOSA-N 3 0 367.444 0.955 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC[C@@H]1[NH3+] ZINC000649358931 492547460 /nfs/dbraw/zinc/54/74/60/492547460.db2.gz JFDQBBCMBRENHW-NCOADZHNSA-N 2 0 350.507 0.905 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000649365654 492548296 /nfs/dbraw/zinc/54/82/96/492548296.db2.gz IIZWZKYILXKMLE-QBPKDAKJSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000649410565 492552092 /nfs/dbraw/zinc/55/20/92/492552092.db2.gz IKQTUINLOIIMLA-SJORKVTESA-N 2 0 368.522 0.186 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000656104593 492552305 /nfs/dbraw/zinc/55/23/05/492552305.db2.gz RQENCUYTRZUXOY-ARFHVFGLSA-N 2 0 350.507 0.905 20 0 FCADRP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000649473998 492557040 /nfs/dbraw/zinc/55/70/40/492557040.db2.gz ZUBKQEIXJHFCJQ-YESZJQIVSA-N 2 0 368.522 0.329 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000656178656 492561849 /nfs/dbraw/zinc/56/18/49/492561849.db2.gz YXKTZDXYLUMVSB-UHFFFAOYSA-N 2 0 370.519 0.725 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623592830 492570885 /nfs/dbraw/zinc/57/08/85/492570885.db2.gz DBYMKVYYZLQZPV-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000636282403 492575405 /nfs/dbraw/zinc/57/54/05/492575405.db2.gz KUDKEAOTRIZODK-UYTYNIKBSA-N 2 0 351.491 0.950 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000656297462 492576322 /nfs/dbraw/zinc/57/63/22/492576322.db2.gz CDDNCQXPFKDTRT-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000656308594 492582284 /nfs/dbraw/zinc/58/22/84/492582284.db2.gz GACQJGJAHLUIGO-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656353973 492609398 /nfs/dbraw/zinc/60/93/98/492609398.db2.gz ADUFPUJHPWUVBU-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP Nc1nc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000623971966 492610555 /nfs/dbraw/zinc/61/05/55/492610555.db2.gz MUDVWALMKJSNSD-NSHDSACASA-N 2 0 353.352 0.824 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359328 492613527 /nfs/dbraw/zinc/61/35/27/492613527.db2.gz OUEBTLFRKWJBCN-MSOLQXFVSA-N 2 0 371.485 0.863 20 0 FCADRP CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000656612085 492636419 /nfs/dbraw/zinc/63/64/19/492636419.db2.gz RNBLOTOYXQKPDN-UHFFFAOYSA-N 2 0 370.519 0.647 20 0 FCADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000629558104 492644554 /nfs/dbraw/zinc/64/45/54/492644554.db2.gz AQBSKQHKFMRYEJ-CQSZACIVSA-N 2 0 358.446 0.765 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644133699 492652874 /nfs/dbraw/zinc/65/28/74/492652874.db2.gz KSOSXMINIDBXLA-PIIMJCKOSA-N 2 0 359.474 0.473 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793255 492674040 /nfs/dbraw/zinc/67/40/40/492674040.db2.gz DNSVMPIBCZCSOD-IAGOWNOFSA-N 2 0 368.522 0.533 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793257 492674506 /nfs/dbraw/zinc/67/45/06/492674506.db2.gz DNSVMPIBCZCSOD-IRXDYDNUSA-N 2 0 368.522 0.533 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000629799071 492677744 /nfs/dbraw/zinc/67/77/44/492677744.db2.gz DVIFWHWYYMTMJW-KRWDZBQOSA-N 2 0 362.474 0.153 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000636761179 492685136 /nfs/dbraw/zinc/68/51/36/492685136.db2.gz GERRVTNDLMXSRX-FGTMMUONSA-N 2 0 368.522 0.726 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000629815668 492686090 /nfs/dbraw/zinc/68/60/90/492686090.db2.gz RXTCTDFSJCLRRN-QGZVFWFLSA-N 2 0 368.522 0.402 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636813989 492701653 /nfs/dbraw/zinc/70/16/53/492701653.db2.gz DKSKLFHROIZGAP-CQSZACIVSA-N 2 0 350.467 0.992 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000629917059 492703909 /nfs/dbraw/zinc/70/39/09/492703909.db2.gz KCMZHNQSHWWYET-SFHVURJKSA-N 2 0 352.523 0.366 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000651327417 492742801 /nfs/dbraw/zinc/74/28/01/492742801.db2.gz BHIQOWOOFDSRQC-HNNXBMFYSA-N 2 0 351.499 0.358 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]2C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000630882926 492781840 /nfs/dbraw/zinc/78/18/40/492781840.db2.gz UPOAFXYKGHYBBP-QZTJIDSGSA-N 2 0 364.534 0.929 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000637259377 492800937 /nfs/dbraw/zinc/80/09/37/492800937.db2.gz VVVVNIUXYQTCMF-JYJNAYRXSA-N 2 0 351.495 0.642 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000637259379 492801384 /nfs/dbraw/zinc/80/13/84/492801384.db2.gz VVVVNIUXYQTCMF-PMPSAXMXSA-N 2 0 351.495 0.642 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631273595 492808458 /nfs/dbraw/zinc/80/84/58/492808458.db2.gz QYQHLPKIFQIFOY-UHFFFAOYSA-N 2 0 350.511 0.592 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375145 492814976 /nfs/dbraw/zinc/81/49/76/492814976.db2.gz FQSFKNMTIPMALX-INIZCTEOSA-N 2 0 365.478 0.693 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377218 492815602 /nfs/dbraw/zinc/81/56/02/492815602.db2.gz XDVKFOBZXKECTQ-HOTGVXAUSA-N 2 0 353.511 0.842 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000637375942 492815935 /nfs/dbraw/zinc/81/59/35/492815935.db2.gz AGOSDPPYQHYENF-HOTGVXAUSA-N 2 0 351.495 0.596 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637376716 492816071 /nfs/dbraw/zinc/81/60/71/492816071.db2.gz LNYNGGNZQUOJDK-PMPSAXMXSA-N 2 0 351.495 0.594 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645136011 492872133 /nfs/dbraw/zinc/87/21/33/492872133.db2.gz KJSHCWFLZPMKHG-KSZLIROESA-N 2 0 358.486 0.663 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000637868239 492872612 /nfs/dbraw/zinc/87/26/12/492872612.db2.gz WFVAKIKUUHATTH-WBMJQRKESA-N 2 0 361.446 0.492 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652144694 492886125 /nfs/dbraw/zinc/88/61/25/492886125.db2.gz OQDRNMAHMRHZDV-MRXNPFEDSA-N 2 0 353.511 0.618 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652159165 492889253 /nfs/dbraw/zinc/88/92/53/492889253.db2.gz SMZRTKNLDHWXJR-GVDBMIGSSA-N 2 0 356.511 0.883 20 0 FCADRP CCN1C(=O)CO[C@H](C(=O)N(C)[C@H]2CCC[N@H+](C)C2)[C@H]1c1nccn1C ZINC000625802627 492889473 /nfs/dbraw/zinc/88/94/73/492889473.db2.gz VUIZBULOJSMSFQ-BPUTZDHNSA-N 2 0 363.462 0.261 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000631933411 492891563 /nfs/dbraw/zinc/89/15/63/492891563.db2.gz DNBNLQGBOWNECM-UHFFFAOYSA-N 2 0 368.547 0.805 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000625864809 492895778 /nfs/dbraw/zinc/89/57/78/492895778.db2.gz KGGHTKJRSKTTKZ-HNNXBMFYSA-N 2 0 353.390 0.715 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638091839 492903653 /nfs/dbraw/zinc/90/36/53/492903653.db2.gz CUFCONBPFYJRIR-MRXNPFEDSA-N 2 0 359.474 0.228 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652323546 492910367 /nfs/dbraw/zinc/91/03/67/492910367.db2.gz JVVGXRAWNSWKJB-INIZCTEOSA-N 2 0 351.495 0.230 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348666 492913818 /nfs/dbraw/zinc/91/38/18/492913818.db2.gz MLLMFUFCMXTQDT-JZXOWHBKSA-N 3 0 352.523 0.805 20 0 FCADRP C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CC[NH3+] ZINC000652355150 492914817 /nfs/dbraw/zinc/91/48/17/492914817.db2.gz QEAGJTZFWFBZAV-IRXDYDNUSA-N 2 0 360.506 0.965 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363176 492916253 /nfs/dbraw/zinc/91/62/53/492916253.db2.gz ZNTFFLUYKXQZDZ-CGTJXYLNSA-N 3 0 352.523 0.948 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638218201 492922972 /nfs/dbraw/zinc/92/29/72/492922972.db2.gz DVHPADFZRPIUJK-UONOGXRCSA-N 2 0 360.380 0.647 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638221087 492923050 /nfs/dbraw/zinc/92/30/50/492923050.db2.gz VOYWPLKPOPRDNT-GJZGRUSLSA-N 2 0 374.407 0.517 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@H]4OCC[NH2+][C@@H]4C3)cc21 ZINC000638228142 492923787 /nfs/dbraw/zinc/92/37/87/492923787.db2.gz UVMFVKRUSUPXHQ-NVXWUHKLSA-N 2 0 373.457 0.506 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632090273 492926870 /nfs/dbraw/zinc/92/68/70/492926870.db2.gz BOUSDBXIGNQJOY-UHFFFAOYSA-N 2 0 372.535 0.611 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000632122239 492934193 /nfs/dbraw/zinc/93/41/93/492934193.db2.gz PILWGIVSDMVMRW-SJORKVTESA-N 2 0 358.552 0.370 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658538631 492936807 /nfs/dbraw/zinc/93/68/07/492936807.db2.gz YBJJFXJCGVOZPG-HNNXBMFYSA-N 2 0 370.413 0.139 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000652458697 492938992 /nfs/dbraw/zinc/93/89/92/492938992.db2.gz UDQYQMKHENGXKE-QGZVFWFLSA-N 2 0 350.507 0.875 20 0 FCADRP C[NH+](C)CCOc1cc(CNS(=O)(=O)CCC[NH+]2CCCC2)ccn1 ZINC000632159099 492940295 /nfs/dbraw/zinc/94/02/95/492940295.db2.gz SAWGKOJILIPNOW-UHFFFAOYSA-N 2 0 370.519 0.927 20 0 FCADRP CCCNC(=O)CN1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638360496 492940618 /nfs/dbraw/zinc/94/06/18/492940618.db2.gz HMGJIJNCIFMRFR-UHFFFAOYSA-N 2 0 354.539 0.802 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000632170652 492943458 /nfs/dbraw/zinc/94/34/58/492943458.db2.gz HNSSQMWFFDHGJU-QZTJIDSGSA-N 2 0 369.531 0.741 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000638421573 492946240 /nfs/dbraw/zinc/94/62/40/492946240.db2.gz WZOWXZZVEXYNEA-OAHLLOKOSA-N 2 0 366.458 0.980 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000638439017 492947218 /nfs/dbraw/zinc/94/72/18/492947218.db2.gz GKFQMCAIAWBDKR-OAHLLOKOSA-N 2 0 360.506 0.867 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255373 492958850 /nfs/dbraw/zinc/95/88/50/492958850.db2.gz QNCUKKQCPASEGS-IAGOWNOFSA-N 2 0 360.568 0.664 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000645760581 492971114 /nfs/dbraw/zinc/97/11/14/492971114.db2.gz OGONUPQMHALVCW-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000638729010 492973221 /nfs/dbraw/zinc/97/32/21/492973221.db2.gz PHKMPFOHOBZDMN-INIZCTEOSA-N 2 0 354.495 0.189 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2cccc3c2CC[NH2+]C3)cnn1C ZINC000638846231 492981583 /nfs/dbraw/zinc/98/15/83/492981583.db2.gz REHHQOMBQSWOGQ-MOPGFXCFSA-N 2 0 353.470 0.994 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)c1cccs1 ZINC000652666571 492982261 /nfs/dbraw/zinc/98/22/61/492982261.db2.gz LQVCVYIVXIEBBE-CQSZACIVSA-N 2 0 352.504 0.973 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C[NH3+] ZINC000652669490 492983916 /nfs/dbraw/zinc/98/39/16/492983916.db2.gz JLVXNOBMGBVPOZ-HZPDHXFCSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000652671930 492984094 /nfs/dbraw/zinc/98/40/94/492984094.db2.gz TUTREKXMGZWADL-IRXDYDNUSA-N 2 0 366.506 0.068 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000652670133 492984169 /nfs/dbraw/zinc/98/41/69/492984169.db2.gz HVYOERAWWZKPCC-MRXNPFEDSA-N 2 0 354.495 0.047 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652678174 492986672 /nfs/dbraw/zinc/98/66/72/492986672.db2.gz WFOGRGPAQOWAPO-BRWVUGGUSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000632375572 492986630 /nfs/dbraw/zinc/98/66/30/492986630.db2.gz WTNSWKHARXGOHR-IBGZPJMESA-N 2 0 371.485 0.941 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652682534 492988862 /nfs/dbraw/zinc/98/88/62/492988862.db2.gz MSUSRMVEJUNFKA-HOTGVXAUSA-N 2 0 352.523 0.977 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684084 492989603 /nfs/dbraw/zinc/98/96/03/492989603.db2.gz FJJOXYNXPZJXKF-ZMSDIMECSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639042915 492993679 /nfs/dbraw/zinc/99/36/79/492993679.db2.gz MOUBYMOPZHNDRY-UHFFFAOYSA-N 2 0 366.510 0.208 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002958 492998887 /nfs/dbraw/zinc/99/88/87/492998887.db2.gz LIIJMLYXPICOHG-GPMSIDNRSA-N 2 0 352.523 0.757 20 0 FCADRP CN(Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000639172258 493000750 /nfs/dbraw/zinc/00/07/50/493000750.db2.gz KETVNECPPMTQJA-CQSZACIVSA-N 2 0 356.492 0.527 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652733948 493011431 /nfs/dbraw/zinc/01/14/31/493011431.db2.gz VDPAMBOAJIFWIF-QAETUUGQSA-N 2 0 366.506 0.284 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@@H]2C1 ZINC000626811429 493024900 /nfs/dbraw/zinc/02/49/00/493024900.db2.gz DKYDJRPQVXGXKP-XJKSGUPXSA-N 2 0 358.442 0.660 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cc2)C1 ZINC000626880093 493045888 /nfs/dbraw/zinc/04/58/88/493045888.db2.gz ZUMKWKRKKQLXNP-YJBOKZPZSA-N 2 0 374.485 0.962 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000626923647 493063433 /nfs/dbraw/zinc/06/34/33/493063433.db2.gz YDXVSCZDFIULAD-WMZOPIPTSA-N 2 0 369.473 0.886 20 0 FCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626934812 493067757 /nfs/dbraw/zinc/06/77/57/493067757.db2.gz OBRCASJTZZXGOE-GOSISDBHSA-N 2 0 369.473 0.670 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000627064812 493085853 /nfs/dbraw/zinc/08/58/53/493085853.db2.gz XDJVTSVRCCSMQT-STQMWFEESA-N 2 0 351.417 0.450 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627099042 493087609 /nfs/dbraw/zinc/08/76/09/493087609.db2.gz DNGKATGJBNCCNG-CGTJXYLNSA-N 2 0 364.465 0.885 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000653373838 493106494 /nfs/dbraw/zinc/10/64/94/493106494.db2.gz VEYUXACGERNXKK-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H]1c1ccccc1 ZINC000627234395 493113968 /nfs/dbraw/zinc/11/39/68/493113968.db2.gz IBEZIKQFAJLGHC-NXHRZFHOSA-N 2 0 369.473 0.696 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000627233596 493114040 /nfs/dbraw/zinc/11/40/40/493114040.db2.gz BSWUOAHRAAADQI-WBVHZDCISA-N 2 0 361.494 0.734 20 0 FCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000627235548 493114661 /nfs/dbraw/zinc/11/46/61/493114661.db2.gz UFUHGODIGVQSRG-CVEARBPZSA-N 2 0 361.494 0.732 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082230 493117181 /nfs/dbraw/zinc/11/71/81/493117181.db2.gz MZDLEALCJLXXKD-BZSNNMDCSA-N 2 0 371.485 0.467 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000627251319 493117198 /nfs/dbraw/zinc/11/71/98/493117198.db2.gz GFEQADRYCZEVBC-RTBURBONSA-N 2 0 357.502 0.950 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000640751058 493127694 /nfs/dbraw/zinc/12/76/94/493127694.db2.gz RFRHYVNVENWDSA-GFCCVEGCSA-N 2 0 356.496 1.347 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1=O ZINC000633106575 493128731 /nfs/dbraw/zinc/12/87/31/493128731.db2.gz VLZPFKRIYFZZPZ-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000633116557 493132804 /nfs/dbraw/zinc/13/28/04/493132804.db2.gz VHCDLZQVWHZVGM-IXDOHACOSA-N 2 0 350.507 0.905 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000627292506 493136658 /nfs/dbraw/zinc/13/66/58/493136658.db2.gz WJLONDCHQKCIGG-QGZVFWFLSA-N 2 0 362.474 0.373 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291942 493136684 /nfs/dbraw/zinc/13/66/84/493136684.db2.gz ISFGKGDGSGFBLN-MSOLQXFVSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000633150508 493136750 /nfs/dbraw/zinc/13/67/50/493136750.db2.gz YYBVLLNRQTUMFQ-CABCVRRESA-N 2 0 352.479 0.038 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000627310091 493144895 /nfs/dbraw/zinc/14/48/95/493144895.db2.gz IDRXIUMIURICFX-UHFFFAOYSA-N 2 0 362.474 0.332 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CC1 ZINC000659089291 493148350 /nfs/dbraw/zinc/14/83/50/493148350.db2.gz FCJMOYABPZVXJQ-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000627325396 493154799 /nfs/dbraw/zinc/15/47/99/493154799.db2.gz IASSTBORECJVQT-NTZNESFSSA-N 2 0 362.396 0.325 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627336758 493159963 /nfs/dbraw/zinc/15/99/63/493159963.db2.gz JFVOJGAKERDMTJ-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000659114034 493160594 /nfs/dbraw/zinc/16/05/94/493160594.db2.gz RFVRAOZPCLXLPU-OAHLLOKOSA-N 2 0 361.490 0.880 20 0 FCADRP CCC[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000647091727 493161446 /nfs/dbraw/zinc/16/14/46/493161446.db2.gz FEEYVZQSTBJTDV-BZUAXINKSA-N 2 0 351.495 0.463 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000627351598 493170237 /nfs/dbraw/zinc/17/02/37/493170237.db2.gz XIIYVMSACJIIFH-GJZGRUSLSA-N 2 0 368.503 0.352 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627358074 493174230 /nfs/dbraw/zinc/17/42/30/493174230.db2.gz ZZGVXHBPDMKIFC-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641214250 493181558 /nfs/dbraw/zinc/18/15/58/493181558.db2.gz AYXKDEIDZSNVQM-GOSISDBHSA-N 2 0 355.446 0.475 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659452597 493182326 /nfs/dbraw/zinc/18/23/26/493182326.db2.gz NIUCDDLMPNGVIB-UHFFFAOYSA-N 2 0 366.466 0.330 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000627372322 493184393 /nfs/dbraw/zinc/18/43/93/493184393.db2.gz JYVBAYWFKRJVEZ-MDZLAQPJSA-N 2 0 364.412 0.571 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000627392795 493200449 /nfs/dbraw/zinc/20/04/49/493200449.db2.gz FMLCHWNREGZFDF-CQSZACIVSA-N 2 0 352.479 0.004 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000627393690 493200601 /nfs/dbraw/zinc/20/06/01/493200601.db2.gz ICRMCCOEWSNGSF-KRWDZBQOSA-N 2 0 364.465 0.830 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000659548970 493211491 /nfs/dbraw/zinc/21/14/91/493211491.db2.gz JPUHURGGTWNFJT-ZWKOTPCHSA-N 2 0 362.474 0.431 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681790252 493217864 /nfs/dbraw/zinc/21/78/64/493217864.db2.gz BODGVZNIYMPIMA-KLHDSHLOSA-N 2 0 354.495 0.201 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639957 493223818 /nfs/dbraw/zinc/22/38/18/493223818.db2.gz PTDCSCVQAHWZDM-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000672696282 493234324 /nfs/dbraw/zinc/23/43/24/493234324.db2.gz BKPQZMBEFOIJMT-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000659672428 493243690 /nfs/dbraw/zinc/24/36/90/493243690.db2.gz WBCBMRCKXFKBJU-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000659673979 493244542 /nfs/dbraw/zinc/24/45/42/493244542.db2.gz JTUYWYGEPTXAFL-NXHRZFHOSA-N 2 0 360.502 0.861 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978220 493245723 /nfs/dbraw/zinc/24/57/23/493245723.db2.gz UQQLUOHMTDNCPL-SJORKVTESA-N 2 0 354.495 0.386 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666992288 493246962 /nfs/dbraw/zinc/24/69/62/493246962.db2.gz VKMZDZNYHBFKRJ-OAHLLOKOSA-N 2 0 355.527 0.768 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659680555 493248095 /nfs/dbraw/zinc/24/80/95/493248095.db2.gz YWFIAWQMBCFLNG-LSDHHAIUSA-N 2 0 354.495 0.066 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659682080 493248698 /nfs/dbraw/zinc/24/86/98/493248698.db2.gz GSEKUBAKDKRORP-CVEARBPZSA-N 2 0 368.522 0.627 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659682262 493248805 /nfs/dbraw/zinc/24/88/05/493248805.db2.gz IHIBTCSRICRLNC-LSDHHAIUSA-N 2 0 356.511 0.435 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659684937 493251675 /nfs/dbraw/zinc/25/16/75/493251675.db2.gz MRYIRIQOWNLFQG-WBVHZDCISA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659685251 493252080 /nfs/dbraw/zinc/25/20/80/493252080.db2.gz PGEMBZOVLGNNFH-UHFFFAOYSA-N 2 0 354.495 0.380 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672876531 493261201 /nfs/dbraw/zinc/26/12/01/493261201.db2.gz IRIFAPUTJJXPQB-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC000667181629 493264806 /nfs/dbraw/zinc/26/48/06/493264806.db2.gz HXPWNKPOOIHNDS-CHWSQXEVSA-N 2 0 372.473 0.343 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718566 493269996 /nfs/dbraw/zinc/26/99/96/493269996.db2.gz RGGHYFIEBBDOAV-XJKSGUPXSA-N 2 0 366.506 0.454 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000641651572 493270888 /nfs/dbraw/zinc/27/08/88/493270888.db2.gz FKXRYFQLIBWAAQ-ZIAGYGMSSA-N 2 0 365.444 0.995 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCn2cncc2C1 ZINC000641667616 493273300 /nfs/dbraw/zinc/27/33/00/493273300.db2.gz HEAZXCLSNUXETR-IAGOWNOFSA-N 2 0 361.490 0.358 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc2c[nH+]cn2c1 ZINC000641669916 493275523 /nfs/dbraw/zinc/27/55/23/493275523.db2.gz NVBFMDNZULXSPT-QGZVFWFLSA-N 2 0 357.458 0.861 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc2c[nH+]cn2c1 ZINC000641669915 493275660 /nfs/dbraw/zinc/27/56/60/493275660.db2.gz NVBFMDNZULXSPT-KRWDZBQOSA-N 2 0 357.458 0.861 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670888 493276223 /nfs/dbraw/zinc/27/62/23/493276223.db2.gz RCRXCWVAJUMNQL-IRXDYDNUSA-N 2 0 370.563 0.337 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659731936 493277523 /nfs/dbraw/zinc/27/75/23/493277523.db2.gz HABUMPPBSGLUCX-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000659732254 493277685 /nfs/dbraw/zinc/27/76/85/493277685.db2.gz UMWRDULORCUKPT-QYZOEREBSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659738029 493279943 /nfs/dbraw/zinc/27/99/43/493279943.db2.gz YARHFAGVVKMMAY-OFQRWUPVSA-N 2 0 352.479 0.084 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000659739081 493280369 /nfs/dbraw/zinc/28/03/69/493280369.db2.gz MXFKCRWVUGNEKR-JLJPHGGASA-N 2 0 362.449 0.679 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739457 493280590 /nfs/dbraw/zinc/28/05/90/493280590.db2.gz USXHPLIXALAZLC-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750518 493286034 /nfs/dbraw/zinc/28/60/34/493286034.db2.gz CLUSSCMWCJUTGV-WBVHZDCISA-N 2 0 361.490 0.619 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000659754153 493286426 /nfs/dbraw/zinc/28/64/26/493286426.db2.gz SRRKYWSBDHCFFD-ZDUSSCGKSA-N 2 0 354.882 0.954 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659756485 493287175 /nfs/dbraw/zinc/28/71/75/493287175.db2.gz RBQSBWUZQUOOSE-YOEHRIQHSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(C)([NH3+])CC3)c2)CC1 ZINC000667514274 493287858 /nfs/dbraw/zinc/28/78/58/493287858.db2.gz GSUGFUGWILLBIU-UHFFFAOYSA-N 2 0 373.501 0.712 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000667583636 493290913 /nfs/dbraw/zinc/29/09/13/493290913.db2.gz GBHZUUQQSJTNJG-ZFWWWQNUSA-N 2 0 366.437 0.724 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673120038 493292219 /nfs/dbraw/zinc/29/22/19/493292219.db2.gz XZFYBWHFBWWYOC-GOEBONIOSA-N 2 0 362.478 0.468 20 0 FCADRP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000682613285 493313803 /nfs/dbraw/zinc/31/38/03/493313803.db2.gz HLHFEOYPRKBWNT-KRWDZBQOSA-N 2 0 355.527 0.375 20 0 FCADRP O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000673299468 493314555 /nfs/dbraw/zinc/31/45/55/493314555.db2.gz DSKVKJFNPXMHNJ-HOTGVXAUSA-N 2 0 357.458 0.473 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337272 493319068 /nfs/dbraw/zinc/31/90/68/493319068.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660055084 493320307 /nfs/dbraw/zinc/32/03/07/493320307.db2.gz CEAPBTJQLGOZRM-YESZJQIVSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000673427652 493327410 /nfs/dbraw/zinc/32/74/10/493327410.db2.gz CCLWRANVXGPKHV-SJORKVTESA-N 2 0 368.522 0.593 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872311 493369888 /nfs/dbraw/zinc/36/98/88/493369888.db2.gz DEUBFOUAKDKRMN-HNNXBMFYSA-N 2 0 362.478 0.214 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000668526853 493371103 /nfs/dbraw/zinc/37/11/03/493371103.db2.gz QBZPDFHZWWUKKA-CRAIPNDOSA-N 2 0 370.563 0.777 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979982 493379529 /nfs/dbraw/zinc/37/95/29/493379529.db2.gz KVDSSHBOEUOVEI-YJBOKZPZSA-N 3 0 369.579 0.891 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000668584453 493379707 /nfs/dbraw/zinc/37/97/07/493379707.db2.gz CULXDOTYPZZEPT-YESZJQIVSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585544 493380020 /nfs/dbraw/zinc/38/00/20/493380020.db2.gz PPDZMJIJHARBRY-ZACQAIPSSA-N 2 0 364.490 0.099 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCSC1 ZINC000660824096 493382322 /nfs/dbraw/zinc/38/23/22/493382322.db2.gz JXQMZXOIUQJEGZ-WBVHZDCISA-N 2 0 356.536 0.976 20 0 FCADRP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000668657369 493392313 /nfs/dbraw/zinc/39/23/13/493392313.db2.gz ONCKGDWOGUDXJE-LJQANCHMSA-N 2 0 372.513 0.972 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)O1 ZINC000668693536 493398108 /nfs/dbraw/zinc/39/81/08/493398108.db2.gz UBXDUVYUDGWDCU-GEEKYZPCSA-N 2 0 356.511 0.447 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000668752695 493405237 /nfs/dbraw/zinc/40/52/37/493405237.db2.gz RYNCLOIYIMAHOB-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180209 493416109 /nfs/dbraw/zinc/41/61/09/493416109.db2.gz NWBQUBFZAYRXET-OKZBNKHCSA-N 2 0 359.470 0.805 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668827075 493416884 /nfs/dbraw/zinc/41/68/84/493416884.db2.gz PPTQCVCSJGFEAX-RDJZCZTQSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843692 493419877 /nfs/dbraw/zinc/41/98/77/493419877.db2.gz WISDRFUEIIKOTE-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661598072 493449467 /nfs/dbraw/zinc/44/94/67/493449467.db2.gz ODGPNRUCBLKULX-DFBDCSAJSA-N 2 0 362.518 0.966 20 0 FCADRP O=C1CC[C@@H]2C[N@H+](C/C=C/C[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595785 493449759 /nfs/dbraw/zinc/44/97/59/493449759.db2.gz DYIFSUMIIDYSHG-RNSZLDOFSA-N 2 0 360.502 0.744 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000661663376 493456342 /nfs/dbraw/zinc/45/63/42/493456342.db2.gz UKZZKMSAHWYIBK-QGZVFWFLSA-N 2 0 369.554 0.317 20 0 FCADRP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)nc(NC[C@](C)(O)C[NH+](C)C)c1F ZINC000685273075 493471006 /nfs/dbraw/zinc/47/10/06/493471006.db2.gz PPGSDGCEVRODFX-DLBZAZTESA-N 2 0 372.489 0.373 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685304958 493473404 /nfs/dbraw/zinc/47/34/04/493473404.db2.gz RXNNOCHTDFQFKO-UWWQBHOKSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000669426355 493502909 /nfs/dbraw/zinc/50/29/09/493502909.db2.gz WKJZNWYFYMBYNV-PBHICJAKSA-N 2 0 350.463 0.885 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662291177 493503629 /nfs/dbraw/zinc/50/36/29/493503629.db2.gz CQHZLFIRTWVDNW-MSOLQXFVSA-N 2 0 350.507 0.825 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296817 493504309 /nfs/dbraw/zinc/50/43/09/493504309.db2.gz NMRZZZPUTHEVDG-QZTJIDSGSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@]1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486471 493506600 /nfs/dbraw/zinc/50/66/00/493506600.db2.gz NETGBMNTFOXNJM-FUHWJXTLSA-N 2 0 353.511 0.082 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486426 493506614 /nfs/dbraw/zinc/50/66/14/493506614.db2.gz FATWCZZYJAXVGG-BBWFWOEESA-N 2 0 353.511 0.210 20 0 FCADRP C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH+](C)CC1 ZINC000669490651 493507661 /nfs/dbraw/zinc/50/76/61/493507661.db2.gz RQTJWBHAICJXRL-WBVHZDCISA-N 2 0 365.522 0.570 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCC1 ZINC000662345102 493508382 /nfs/dbraw/zinc/50/83/82/493508382.db2.gz GSCBJPWEOYSQOD-INIZCTEOSA-N 2 0 358.446 0.812 20 0 FCADRP COc1ccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCCC2)cc1 ZINC000662344329 493508492 /nfs/dbraw/zinc/50/84/92/493508492.db2.gz XZCZHPSKHILNKU-QGZVFWFLSA-N 2 0 358.446 0.812 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)ccn2)CC1 ZINC000662386651 493511599 /nfs/dbraw/zinc/51/15/99/493511599.db2.gz MFOHJCHKCWJCCE-HNNXBMFYSA-N 2 0 369.473 0.563 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662384711 493511819 /nfs/dbraw/zinc/51/18/19/493511819.db2.gz UMWOJVPZJUWKJM-UHFFFAOYSA-N 2 0 371.489 0.304 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)nnn1[C@H]1CC[NH2+]C1 ZINC000662408603 493513510 /nfs/dbraw/zinc/51/35/10/493513510.db2.gz YJOIECHHUBDZNE-AWEZNQCLSA-N 2 0 356.434 0.178 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662437932 493515172 /nfs/dbraw/zinc/51/51/72/493515172.db2.gz KEBZUJLNKPXVCB-LBPRGKRZSA-N 2 0 350.488 0.711 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)c1 ZINC000662446939 493515808 /nfs/dbraw/zinc/51/58/08/493515808.db2.gz SXDRWENSFLTTJN-ZDUSSCGKSA-N 2 0 356.430 0.853 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)C1 ZINC000662463147 493517868 /nfs/dbraw/zinc/51/78/68/493517868.db2.gz VFRUBMBLCWLPBU-INIZCTEOSA-N 2 0 361.490 0.994 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc3c2C[NH2+]C3)cn1 ZINC000662475028 493519185 /nfs/dbraw/zinc/51/91/85/493519185.db2.gz HLXNOALKLRSIRD-UHFFFAOYSA-N 2 0 356.430 0.416 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CC[NH2+]C2 ZINC000662561206 493526327 /nfs/dbraw/zinc/52/63/27/493526327.db2.gz QCMWCKZJLSJQEL-CYBMUJFWSA-N 2 0 362.421 0.960 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662682563 493531436 /nfs/dbraw/zinc/53/14/36/493531436.db2.gz JOEGLNKIIYCGIA-SJORKVTESA-N 2 0 360.458 0.686 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709236 493533873 /nfs/dbraw/zinc/53/38/73/493533873.db2.gz XWCJWORWLWCHKI-XIRDDKMYSA-N 2 0 360.458 0.686 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717605 493534140 /nfs/dbraw/zinc/53/41/40/493534140.db2.gz PVSCSVCSUUJTEV-SQNIBIBYSA-N 2 0 374.485 0.364 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662760552 493539903 /nfs/dbraw/zinc/53/99/03/493539903.db2.gz ZYENFQZOXZHBJO-MRXNPFEDSA-N 2 0 371.407 0.992 20 0 FCADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101965 493545314 /nfs/dbraw/zinc/54/53/14/493545314.db2.gz HZJDDRQNIAGPFK-ZIAGYGMSSA-N 2 0 366.506 0.297 20 0 FCADRP COCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000662901337 493550146 /nfs/dbraw/zinc/55/01/46/493550146.db2.gz VNNRYYXEWLSIBY-KRWDZBQOSA-N 2 0 352.523 0.630 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662931062 493555984 /nfs/dbraw/zinc/55/59/84/493555984.db2.gz ZVALOZIEFMHPOR-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000662941157 493557845 /nfs/dbraw/zinc/55/78/45/493557845.db2.gz OIKSBKMNCXFGAZ-CALCHBBNSA-N 2 0 358.486 0.773 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607668 493580837 /nfs/dbraw/zinc/58/08/37/493580837.db2.gz BVYZFHSCMATYAZ-RTBURBONSA-N 2 0 372.513 0.876 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663424980 493588151 /nfs/dbraw/zinc/58/81/51/493588151.db2.gz MVVMOHOJPCZIQX-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP Cn1nnc2c1ncnc2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000663485335 493591901 /nfs/dbraw/zinc/59/19/01/493591901.db2.gz PXXPLQHNFSUIIR-UHFFFAOYSA-N 2 0 353.434 0.778 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663613500 493603894 /nfs/dbraw/zinc/60/38/94/493603894.db2.gz RLTYHYZHRWGQMW-SFHVURJKSA-N 2 0 361.446 0.384 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000670984523 493619518 /nfs/dbraw/zinc/61/95/18/493619518.db2.gz ORDHORHHAMFKPL-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCC(C)CC1 ZINC000663848699 493621316 /nfs/dbraw/zinc/62/13/16/493621316.db2.gz LWAFDWUWBZBMJI-INIZCTEOSA-N 2 0 355.527 0.768 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000670997866 493622023 /nfs/dbraw/zinc/62/20/23/493622023.db2.gz IPYHASGYLYHQLB-KRWDZBQOSA-N 2 0 367.538 0.121 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671100731 493632919 /nfs/dbraw/zinc/63/29/19/493632919.db2.gz KUBOFIJKXXBYDZ-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671100739 493633019 /nfs/dbraw/zinc/63/30/19/493633019.db2.gz KUBOFIJKXXBYDZ-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000671106626 493635865 /nfs/dbraw/zinc/63/58/65/493635865.db2.gz HZFCDCDMOPIQND-QBPKDAKJSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170694 493645017 /nfs/dbraw/zinc/64/50/17/493645017.db2.gz DXHYJMYBGBCZPU-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671365592 493660845 /nfs/dbraw/zinc/66/08/45/493660845.db2.gz AMEFNEKZNSCOLY-JKSUJKDBSA-N 2 0 367.538 0.118 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000671373611 493661640 /nfs/dbraw/zinc/66/16/40/493661640.db2.gz MAFPDGFCIDHBQD-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664502813 493663704 /nfs/dbraw/zinc/66/37/04/493663704.db2.gz LGHZYCGRGQYDTF-WBAXXEDZSA-N 2 0 361.490 0.923 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404577 493666784 /nfs/dbraw/zinc/66/67/84/493666784.db2.gz NUKXQTMBTYXDRE-IAGOWNOFSA-N 2 0 373.501 0.967 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380483 493677890 /nfs/dbraw/zinc/67/78/90/493677890.db2.gz IPBFHJRMKHRZRW-IXDOHACOSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293228 493707944 /nfs/dbraw/zinc/70/79/44/493707944.db2.gz VYRODWJEYSJPSM-NSHDSACASA-N 2 0 355.398 0.805 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000671849408 493708674 /nfs/dbraw/zinc/70/86/74/493708674.db2.gz NIXPTTGFLLNHSA-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000665458300 493716000 /nfs/dbraw/zinc/71/60/00/493716000.db2.gz CDIWFBLAKUSHFI-SFHVURJKSA-N 2 0 368.522 0.849 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010236 493723899 /nfs/dbraw/zinc/72/38/99/493723899.db2.gz MPARPUBOLJUKLX-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000672012960 493724680 /nfs/dbraw/zinc/72/46/80/493724680.db2.gz DXLPKMWOQUWYIK-UAGQMJEPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665759162 493733268 /nfs/dbraw/zinc/73/32/68/493733268.db2.gz JFVHGDRIFPXRCM-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000672305815 493752192 /nfs/dbraw/zinc/75/21/92/493752192.db2.gz FCQFXXIHSLVKLC-ROUUACIJSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305726 493752280 /nfs/dbraw/zinc/75/22/80/493752280.db2.gz BEIPGDAEGIJPEU-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000666183887 493761078 /nfs/dbraw/zinc/76/10/78/493761078.db2.gz PTTRCQXWGJKVQN-HNNXBMFYSA-N 2 0 350.467 0.820 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418569991 536428789 /nfs/dbraw/zinc/42/87/89/536428789.db2.gz PXATYYLPPUGUSI-KEYYUXOJSA-N 2 0 367.444 0.613 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410503273 528122423 /nfs/dbraw/zinc/12/24/23/528122423.db2.gz MJLGXVJWWVDIHH-LJQANCHMSA-N 2 0 368.522 0.357 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000410812652 528432761 /nfs/dbraw/zinc/43/27/61/528432761.db2.gz UZZQDSBLICXHQC-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000411030768 529074212 /nfs/dbraw/zinc/07/42/12/529074212.db2.gz RUGXUDYUTJUGOW-IKGGRYGDSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419421082 535043058 /nfs/dbraw/zinc/04/30/58/535043058.db2.gz KVNBEVLDVJPCKD-GOSISDBHSA-N 2 0 372.513 0.911 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000423416240 535055909 /nfs/dbraw/zinc/05/59/09/535055909.db2.gz QEMLDEXBTRMVSZ-KRWDZBQOSA-N 2 0 367.538 0.070 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419980266 535067546 /nfs/dbraw/zinc/06/75/46/535067546.db2.gz QQIYEHYTLZPGJF-MRXNPFEDSA-N 2 0 370.444 0.955 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419697105 535073605 /nfs/dbraw/zinc/07/36/05/535073605.db2.gz NUJZRLJMBYUHFS-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419155870 535081626 /nfs/dbraw/zinc/08/16/26/535081626.db2.gz SENOFENFQKKYNH-XMTFNYHQSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)N3CCOCC3)CC2)CC1 ZINC000441029737 535156962 /nfs/dbraw/zinc/15/69/62/535156962.db2.gz MXAPNRWDSCUVBN-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419131302 535200913 /nfs/dbraw/zinc/20/09/13/535200913.db2.gz CJAXXIFFFVWXIU-CYBMUJFWSA-N 2 0 352.504 0.930 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000415363488 535204504 /nfs/dbraw/zinc/20/45/04/535204504.db2.gz QLMPPYROSFOCCI-MRXNPFEDSA-N 2 0 373.501 0.963 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419771728 535296959 /nfs/dbraw/zinc/29/69/59/535296959.db2.gz GUPAWHNDWKQYOV-MRXNPFEDSA-N 2 0 350.507 0.871 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000418956214 535438453 /nfs/dbraw/zinc/43/84/53/535438453.db2.gz RKISSVFUDVQLED-BRWVUGGUSA-N 2 0 366.506 0.081 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423459908 535522825 /nfs/dbraw/zinc/52/28/25/535522825.db2.gz AHEAWPGMEJAJPM-LBPRGKRZSA-N 2 0 352.401 0.669 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424163088 535525294 /nfs/dbraw/zinc/52/52/94/535525294.db2.gz XIQAZNDWGRCBCD-HNNXBMFYSA-N 2 0 352.483 0.633 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000423447897 535549188 /nfs/dbraw/zinc/54/91/88/535549188.db2.gz PGHOGFSORYZUGP-HNNXBMFYSA-N 2 0 356.511 0.389 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446378913 535695821 /nfs/dbraw/zinc/69/58/21/535695821.db2.gz XQJHNQBSTFCHOK-TXPKVOOTSA-N 2 0 352.523 0.663 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419822491 535710505 /nfs/dbraw/zinc/71/05/05/535710505.db2.gz LOMDWFVHSODTAN-IXDOHACOSA-N 2 0 367.538 0.105 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375239 535739870 /nfs/dbraw/zinc/73/98/70/535739870.db2.gz WEHCFNAXOYDTLJ-YYAJDYIMSA-N 2 0 352.523 0.661 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)c2)CC1 ZINC000415300804 535749328 /nfs/dbraw/zinc/74/93/28/535749328.db2.gz PPIIITZWUKNBCZ-INIZCTEOSA-N 2 0 359.474 0.587 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415329487 535750725 /nfs/dbraw/zinc/75/07/25/535750725.db2.gz DHNRMEDZTBGHLS-INIZCTEOSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419886816 535863343 /nfs/dbraw/zinc/86/33/43/535863343.db2.gz CVPMYKUQBUZQCY-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1=O ZINC000424010946 535881779 /nfs/dbraw/zinc/88/17/79/535881779.db2.gz MBUDLNJKOUGTPX-HYVNUMGLSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000415322407 535906747 /nfs/dbraw/zinc/90/67/47/535906747.db2.gz ZEUJHWIQDNGNBB-ZDUSSCGKSA-N 2 0 352.410 0.573 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000419712361 535927108 /nfs/dbraw/zinc/92/71/08/535927108.db2.gz PESZDROONVJJHX-OTWHNJEPSA-N 2 0 372.513 0.993 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000419705989 535927470 /nfs/dbraw/zinc/92/74/70/535927470.db2.gz BWPSJNVRYBXZGB-GOSISDBHSA-N 2 0 360.502 0.994 20 0 FCADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423711246 535972356 /nfs/dbraw/zinc/97/23/56/535972356.db2.gz MASKKULQVDXDSA-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419667208 536367981 /nfs/dbraw/zinc/36/79/81/536367981.db2.gz XDCJYQBJCUIRAY-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000423666506 536376660 /nfs/dbraw/zinc/37/66/60/536376660.db2.gz MJAPGXPHTNAZCB-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890986 536449121 /nfs/dbraw/zinc/44/91/21/536449121.db2.gz JEWLJOXTTGNBQA-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000423667224 536653133 /nfs/dbraw/zinc/65/31/33/536653133.db2.gz IYKBHMQXENWAKW-IAGOWNOFSA-N 2 0 366.506 0.428 20 0 FCADRP COC[C@]1(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360272 536654132 /nfs/dbraw/zinc/65/41/32/536654132.db2.gz QIWMYIKSWQTVEY-MDZRGWNJSA-N 2 0 353.507 0.960 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000419745403 536746582 /nfs/dbraw/zinc/74/65/82/536746582.db2.gz ACJASLYWYKBLPM-KGLIPLIRSA-N 2 0 354.495 0.188 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419748126 536746889 /nfs/dbraw/zinc/74/68/89/536746889.db2.gz FHFLIDOHCIEBBX-UONOGXRCSA-N 2 0 354.495 0.201 20 0 FCADRP C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000127986250 546564966 /nfs/dbraw/zinc/56/49/66/546564966.db2.gz DLKFOLFWCBBNKL-HUUCEWRRSA-N 2 0 354.520 0.364 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC000948412881 674376990 /nfs/dbraw/zinc/37/69/90/674376990.db2.gz CMZKMRCUTDERLO-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000332705706 546854401 /nfs/dbraw/zinc/85/44/01/546854401.db2.gz WAOOQZRFBUIALD-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000549877999 547072732 /nfs/dbraw/zinc/07/27/32/547072732.db2.gz QJWIKLZPTSXPCH-CYBMUJFWSA-N 2 0 354.495 0.249 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550644330 547093076 /nfs/dbraw/zinc/09/30/76/547093076.db2.gz QZDYXFGIRMFZAP-KDOFPFPSSA-N 2 0 366.531 0.937 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550654457 547093687 /nfs/dbraw/zinc/09/36/87/547093687.db2.gz OTIAERAVOGVLMU-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000550714992 547099654 /nfs/dbraw/zinc/09/96/54/547099654.db2.gz GTNGBUGQEKOKKA-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@H]1C ZINC000550952358 547117578 /nfs/dbraw/zinc/11/75/78/547117578.db2.gz SALLWYHROGUBMU-HZPDHXFCSA-N 2 0 356.511 0.402 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000551016674 547119588 /nfs/dbraw/zinc/11/95/88/547119588.db2.gz RXEIFWMOIGYFKS-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210590 547134379 /nfs/dbraw/zinc/13/43/79/547134379.db2.gz GYDQNDFXIFLMAA-CXAGYDPISA-N 2 0 358.552 0.632 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280336 547138904 /nfs/dbraw/zinc/13/89/04/547138904.db2.gz NUVMHUMKSJCSFL-JKSUJKDBSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551282637 547139851 /nfs/dbraw/zinc/13/98/51/547139851.db2.gz CJPRIBXUGKFTKU-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000552634830 547220879 /nfs/dbraw/zinc/22/08/79/547220879.db2.gz OUILUOGNEXADGE-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000553037941 547248595 /nfs/dbraw/zinc/24/85/95/547248595.db2.gz MLGIRJBDMDFTPW-HOCLYGCPSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000553394428 547275510 /nfs/dbraw/zinc/27/55/10/547275510.db2.gz OVULHAYNLXWCNG-PMPSAXMXSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](C[C@@H](C)O)CC3)C2)CC[N@@H+]1C ZINC000949098777 674394223 /nfs/dbraw/zinc/39/42/23/674394223.db2.gz DPZVZVITPRYYGD-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000949858311 674414334 /nfs/dbraw/zinc/41/43/34/674414334.db2.gz BEUHUJMFUADFAA-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949887533 674415099 /nfs/dbraw/zinc/41/50/99/674415099.db2.gz YZXIQRHNOPICCF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC000950243968 674423086 /nfs/dbraw/zinc/42/30/86/674423086.db2.gz QULNDWMYFTWLAJ-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845766 598814562 /nfs/dbraw/zinc/81/45/62/598814562.db2.gz NAIRYVCGMYHSQG-KRWDZBQOSA-N 2 0 369.473 0.853 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000953978126 674487410 /nfs/dbraw/zinc/48/74/10/674487410.db2.gz DYVJPARMACMWLA-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP COc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1-c1nn[nH]n1 ZINC000821813290 606426382 /nfs/dbraw/zinc/42/63/82/606426382.db2.gz DLUVPJYMXLKEGA-UHFFFAOYSA-N 2 0 359.478 0.991 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000957166208 674538897 /nfs/dbraw/zinc/53/88/97/674538897.db2.gz JSAAWTCFPSVOMC-IDHHARJASA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000990002499 665836970 /nfs/dbraw/zinc/83/69/70/665836970.db2.gz TYNXYCUTFHUSDG-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000990006383 665838099 /nfs/dbraw/zinc/83/80/99/665838099.db2.gz SMROBVVEGYMUHP-UXLLHSPISA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000969123548 663139403 /nfs/dbraw/zinc/13/94/03/663139403.db2.gz LPWZASBAUSKRLF-UUAJXVIYSA-N 2 0 350.507 0.869 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC000990763645 665930616 /nfs/dbraw/zinc/93/06/16/665930616.db2.gz OPGFUVIWJFDHGN-CYJAXWMASA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC000891236735 663335500 /nfs/dbraw/zinc/33/55/00/663335500.db2.gz CDYQSDSPYKKIAJ-JYJNAYRXSA-N 2 0 354.495 0.853 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC001021941733 663381077 /nfs/dbraw/zinc/38/10/77/663381077.db2.gz RUAINRVUTFSFNA-USXIJHARSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022103721 663404722 /nfs/dbraw/zinc/40/47/22/663404722.db2.gz MIGRPHKACDKYEG-DGXTUMSLSA-N 2 0 357.520 0.388 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001022105082 663404966 /nfs/dbraw/zinc/40/49/66/663404966.db2.gz OBKOLYMVGIYIKG-FVCCEPFGSA-N 2 0 356.421 0.620 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022109408 663406097 /nfs/dbraw/zinc/40/60/97/663406097.db2.gz MKWWFBIWISQGMY-ZOFXXKQRSA-N 2 0 371.547 0.778 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891528259 663412300 /nfs/dbraw/zinc/41/23/00/663412300.db2.gz NYQZJLBBBDWTBC-JHJVBQTASA-N 2 0 351.417 0.401 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891536212 663413043 /nfs/dbraw/zinc/41/30/43/663413043.db2.gz PVRGSFSDUKVNLF-JKSUJKDBSA-N 2 0 351.495 0.465 20 0 FCADRP C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000891600573 663417824 /nfs/dbraw/zinc/41/78/24/663417824.db2.gz CRVIVRPTAZKAGO-RDBSUJKOSA-N 2 0 365.444 0.649 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000891730794 663431597 /nfs/dbraw/zinc/43/15/97/663431597.db2.gz ZMBCODKKTKIJMN-IRXDYDNUSA-N 2 0 355.527 0.375 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847654 663444661 /nfs/dbraw/zinc/44/46/61/663444661.db2.gz RVYPCMJEUHHEBI-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000891930686 663451358 /nfs/dbraw/zinc/45/13/58/663451358.db2.gz YQXPRWUKHWBPKA-HNNXBMFYSA-N 2 0 353.511 0.618 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891980446 663461031 /nfs/dbraw/zinc/46/10/31/663461031.db2.gz VJYIOMGNQMONDI-DLBZAZTESA-N 2 0 353.511 0.082 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@@H]21 ZINC000892107638 663476928 /nfs/dbraw/zinc/47/69/28/663476928.db2.gz LVPVYQIDIBQSBH-HZSPNIEDSA-N 2 0 363.428 0.558 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892107645 663477225 /nfs/dbraw/zinc/47/72/25/663477225.db2.gz LWJPNKSMUMGTHQ-XJFOESAGSA-N 2 0 363.428 0.652 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892107736 663477248 /nfs/dbraw/zinc/47/72/48/663477248.db2.gz ITTPGZPTVIGXQJ-OLZOCXBDSA-N 2 0 365.444 0.900 20 0 FCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892161025 663483761 /nfs/dbraw/zinc/48/37/61/663483761.db2.gz YOPRPNDQSJRABM-XQLPTFJDSA-N 2 0 351.451 0.095 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)[NH+](C)C ZINC000972246975 663511573 /nfs/dbraw/zinc/51/15/73/663511573.db2.gz WUTAZNKURSCCSL-JFIYKMOQSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001023372461 663620055 /nfs/dbraw/zinc/62/00/55/663620055.db2.gz SVJYZJGBDVTDBH-BHYGNILZSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[NH2+]C1 ZINC000892384519 663797643 /nfs/dbraw/zinc/79/76/43/663797643.db2.gz MPTDBGUFDJQHIZ-HUUCEWRRSA-N 2 0 353.511 0.794 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21)[NH+](C)C ZINC000972861753 663896734 /nfs/dbraw/zinc/89/67/34/663896734.db2.gz UBADXCPGHXYDEX-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000973334341 664100149 /nfs/dbraw/zinc/10/01/49/664100149.db2.gz CVPDFVLJKXADNF-OVYGPGRDSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892780669 664141431 /nfs/dbraw/zinc/14/14/31/664141431.db2.gz SZGLWWKGYCGMDY-MRXNPFEDSA-N 3 0 355.527 0.280 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000892881327 664152657 /nfs/dbraw/zinc/15/26/57/664152657.db2.gz SIVKHOHTYZABOT-UHFFFAOYSA-N 2 0 365.503 0.877 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000892919281 664154720 /nfs/dbraw/zinc/15/47/20/664154720.db2.gz LBXYSPHVGXMYDY-HNNXBMFYSA-N 2 0 353.511 0.713 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000892925381 664155031 /nfs/dbraw/zinc/15/50/31/664155031.db2.gz QUKBQSWAUFFGGO-HNNXBMFYSA-N 2 0 351.495 0.548 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000974124725 664224146 /nfs/dbraw/zinc/22/41/46/664224146.db2.gz UWGBZTWOMZIIDV-MXASKKJJSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000974186321 664227097 /nfs/dbraw/zinc/22/70/97/664227097.db2.gz IQFVMDYTRLDWQG-RHJCGQNESA-N 2 0 350.507 0.820 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000974191224 664227500 /nfs/dbraw/zinc/22/75/00/664227500.db2.gz WWTBFERFMUVNKW-ZOFXXKQRSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974589369 664266151 /nfs/dbraw/zinc/26/61/51/664266151.db2.gz UOTLAQGPJOPVHN-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000979781900 664462901 /nfs/dbraw/zinc/46/29/01/664462901.db2.gz BYOACLHXZMDBOH-OVYGPGRDSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000979863991 664464433 /nfs/dbraw/zinc/46/44/33/664464433.db2.gz RLCWGSWITWQOEV-HDKMNVHJSA-N 2 0 350.507 0.678 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981194475 664817319 /nfs/dbraw/zinc/81/73/19/664817319.db2.gz ROQBVQFFJMWAKK-OWCLPIDISA-N 2 0 357.520 0.296 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001028551281 664901652 /nfs/dbraw/zinc/90/16/52/664901652.db2.gz MCDRBOIQLHUWLW-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000982875615 664932208 /nfs/dbraw/zinc/93/22/08/664932208.db2.gz VFKRICUFQPNBPI-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCC(=O)NC(C)C ZINC000727277297 665030355 /nfs/dbraw/zinc/03/03/55/665030355.db2.gz KSHAGIVWKHKDPG-HNNXBMFYSA-N 2 0 357.568 0.733 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300265 665079855 /nfs/dbraw/zinc/07/98/55/665079855.db2.gz FVQRPCXOTQMQGL-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)C1 ZINC000896389617 665083111 /nfs/dbraw/zinc/08/31/11/665083111.db2.gz GPDRMYKEKHVFSN-GOSISDBHSA-N 2 0 350.507 0.336 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1)[NH+](C)C ZINC000960574995 674684552 /nfs/dbraw/zinc/68/45/52/674684552.db2.gz RWTKODRYAIMODI-LVQVYYBASA-N 2 0 354.495 0.105 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000984899684 665114470 /nfs/dbraw/zinc/11/44/70/665114470.db2.gz JEHQNTOMPUKDOF-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985441499 665167361 /nfs/dbraw/zinc/16/73/61/665167361.db2.gz JSTNJGKDMRGGIT-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cccs1 ZINC000418822797 674689806 /nfs/dbraw/zinc/68/98/06/674689806.db2.gz BFDQYTYKRKLRQN-SUMWQHHRSA-N 2 0 350.488 0.822 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000987469381 665255695 /nfs/dbraw/zinc/25/56/95/665255695.db2.gz RUGFZAAYIBFABS-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000897455263 665289071 /nfs/dbraw/zinc/28/90/71/665289071.db2.gz QFGPBEWTLUYQLI-KRWDZBQOSA-N 2 0 351.539 0.997 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000938040039 665312838 /nfs/dbraw/zinc/31/28/38/665312838.db2.gz SIHMQUUUJDIPGU-HRCADAONSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000989050169 665337698 /nfs/dbraw/zinc/33/76/98/665337698.db2.gz IBTBPMXWFPVEMX-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CC2)cc1Cl ZINC000906698223 666062811 /nfs/dbraw/zinc/06/28/11/666062811.db2.gz UQWJNEFUVBJEKU-UHFFFAOYSA-N 2 0 354.838 0.826 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366283 666243741 /nfs/dbraw/zinc/24/37/41/666243741.db2.gz GYTUPIQUPLYJRC-UHFFFAOYSA-N 2 0 351.491 0.811 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H]1c1cccs1 ZINC000911201262 666322817 /nfs/dbraw/zinc/32/28/17/666322817.db2.gz RJSMRVANMHYYQO-GXTWGEPZSA-N 2 0 350.488 0.855 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000921362338 666439796 /nfs/dbraw/zinc/43/97/96/666439796.db2.gz JOEGOWXRSKQXNU-OAHLLOKOSA-N 2 0 353.511 0.616 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000938609036 666474572 /nfs/dbraw/zinc/47/45/72/666474572.db2.gz ILDKEGXFVVRWTP-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000940288695 666544661 /nfs/dbraw/zinc/54/46/61/666544661.db2.gz YCMSZZGYVGMIJK-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP COC(=O)c1ccc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000732815353 666901903 /nfs/dbraw/zinc/90/19/03/666901903.db2.gz MENXZEWPBJWZCM-UHFFFAOYSA-N 2 0 371.503 0.728 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000993821412 666940291 /nfs/dbraw/zinc/94/02/91/666940291.db2.gz VXSULMUNVZYODH-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC000996604955 666945821 /nfs/dbraw/zinc/94/58/21/666945821.db2.gz ZPUXWGFQJKIUQG-UKRRQHHQSA-N 2 0 350.463 0.056 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734468590 666969208 /nfs/dbraw/zinc/96/92/08/666969208.db2.gz TUSGLLPLALJZEK-SFHVURJKSA-N 2 0 352.523 0.775 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000998793455 667221741 /nfs/dbraw/zinc/22/17/41/667221741.db2.gz INURXDLLVIROSL-SJJHQCBESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000999209225 667231773 /nfs/dbraw/zinc/23/17/73/667231773.db2.gz OXZAEGBTDLFCIY-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000961849485 674831184 /nfs/dbraw/zinc/83/11/84/674831184.db2.gz MRFWPQRNKLQEOT-XSCHDIRWSA-N 2 0 352.458 0.572 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001033090445 667670176 /nfs/dbraw/zinc/67/01/76/667670176.db2.gz AZEIKKUQFXFHLM-QLFBSQMISA-N 2 0 350.463 0.008 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001033090448 667670218 /nfs/dbraw/zinc/67/02/18/667670218.db2.gz AZEIKKUQFXFHLM-RBSFLKMASA-N 2 0 350.463 0.008 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000946797080 667727855 /nfs/dbraw/zinc/72/78/55/667727855.db2.gz XNPXKVRXCHAFMG-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001034649570 667762424 /nfs/dbraw/zinc/76/24/24/667762424.db2.gz LDRYONNMYNVILB-SMLCLMEVSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000946916372 667848021 /nfs/dbraw/zinc/84/80/21/667848021.db2.gz WMXSERDIYVEDKH-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608581 668038601 /nfs/dbraw/zinc/03/86/01/668038601.db2.gz FTQZBEZSWZSHJP-OLZOCXBDSA-N 2 0 355.508 0.417 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743392973 668047464 /nfs/dbraw/zinc/04/74/64/668047464.db2.gz FMTOHYFLWVCZHQ-OAHLLOKOSA-N 2 0 351.495 0.624 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000743596098 668049465 /nfs/dbraw/zinc/04/94/65/668049465.db2.gz ZSVYNWUIJMAZCW-MRXNPFEDSA-N 2 0 369.579 0.735 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775153755 668200299 /nfs/dbraw/zinc/20/02/99/668200299.db2.gz ZEPIEFSQNVAIOE-NSHDSACASA-N 2 0 353.294 0.248 20 0 FCADRP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000778219557 668355883 /nfs/dbraw/zinc/35/58/83/668355883.db2.gz HZONZIJNNTWWHS-OAHLLOKOSA-N 2 0 353.463 0.612 20 0 FCADRP Cn1c(Cl)ncc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000780850012 668490798 /nfs/dbraw/zinc/49/07/98/668490798.db2.gz WSNDIPMUANKCNU-UHFFFAOYSA-N 2 0 363.915 0.720 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000793701414 668943080 /nfs/dbraw/zinc/94/30/80/668943080.db2.gz QDZIBTHXHOUCIN-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000822610193 669280876 /nfs/dbraw/zinc/28/08/76/669280876.db2.gz HVAIZQOONFHZKU-KRWDZBQOSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055371 669356723 /nfs/dbraw/zinc/35/67/23/669356723.db2.gz MVGUAQWHNDCAQV-HOTGVXAUSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064831 669361144 /nfs/dbraw/zinc/36/11/44/669361144.db2.gz YVCNIWXTPVGSIR-SOUVJXGZSA-N 2 0 354.495 0.058 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000841991347 670623777 /nfs/dbraw/zinc/62/37/77/670623777.db2.gz AZUGVBXAWUTXIP-CYBMUJFWSA-N 2 0 363.428 0.608 20 0 FCADRP C[C@H]([NH3+])Cc1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000843204263 670780424 /nfs/dbraw/zinc/78/04/24/670780424.db2.gz KMUNNVPDMSZTPH-LBPRGKRZSA-N 2 0 367.475 0.856 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844179176 670905877 /nfs/dbraw/zinc/90/58/77/670905877.db2.gz REHWEPYFRMTMJG-KURKYZTESA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000846239977 671094178 /nfs/dbraw/zinc/09/41/78/671094178.db2.gz KVFAADYCTLNYDO-SOUVJXGZSA-N 2 0 354.495 0.994 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646259 671134470 /nfs/dbraw/zinc/13/44/70/671134470.db2.gz BFLXJZGQPNJDGP-HUUCEWRRSA-N 2 0 352.479 0.461 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000849052365 671316216 /nfs/dbraw/zinc/31/62/16/671316216.db2.gz UZIVAKQEWKQVIY-KFWWJZLASA-N 2 0 359.540 0.693 20 0 FCADRP CS(=O)(=O)NCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849061182 671316546 /nfs/dbraw/zinc/31/65/46/671316546.db2.gz YDMQPUNNAUPLMV-UHFFFAOYSA-N 2 0 353.492 0.314 20 0 FCADRP CN(C)S(=O)(=O)CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849085246 671317104 /nfs/dbraw/zinc/31/71/04/671317104.db2.gz JDHZESBSGYBTRG-UHFFFAOYSA-N 2 0 367.519 0.656 20 0 FCADRP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000849111027 671318286 /nfs/dbraw/zinc/31/82/86/671318286.db2.gz FZMAROIQIZSKFF-CQSZACIVSA-N 2 0 356.515 0.509 20 0 FCADRP CCN1C(=S)N=NC1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000854159362 671567834 /nfs/dbraw/zinc/56/78/34/671567834.db2.gz YUBYHFDIUIDLLP-UHFFFAOYSA-N 2 0 357.528 0.264 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000857334473 671725135 /nfs/dbraw/zinc/72/51/35/671725135.db2.gz AWKJQDXMNRDRPZ-ZWKOTPCHSA-N 2 0 353.507 0.837 20 0 FCADRP CN(Cc1cccs1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521649 675937941 /nfs/dbraw/zinc/93/79/41/675937941.db2.gz AIFUMXBMCFHKLM-QAPCUYQASA-N 2 0 364.515 0.943 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(C2(C)OCCO2)s1 ZINC000859221088 671802131 /nfs/dbraw/zinc/80/21/31/671802131.db2.gz DISGSGRQGXCHQB-UHFFFAOYSA-N 2 0 356.492 0.928 20 0 FCADRP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000859271896 671806407 /nfs/dbraw/zinc/80/64/07/671806407.db2.gz JFINGEFHZUDJHU-MHORFTMASA-N 2 0 374.598 0.858 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000859275345 671807493 /nfs/dbraw/zinc/80/74/93/671807493.db2.gz HWKZUGDSAXZHLR-USTZCAOPSA-N 2 0 374.598 0.045 20 0 FCADRP CCN(CC)C(=O)CN1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733096 675964952 /nfs/dbraw/zinc/96/49/52/675964952.db2.gz JQLIACUGTIALHE-HKUYNNGSSA-N 2 0 352.523 0.631 20 0 FCADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000903762492 675969759 /nfs/dbraw/zinc/96/97/59/675969759.db2.gz CWIYYDUAZUNBKO-LBPRGKRZSA-N 2 0 364.412 0.811 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863316438 672113059 /nfs/dbraw/zinc/11/30/59/672113059.db2.gz NORPVMPZMGMWBU-ZIAGYGMSSA-N 2 0 358.483 0.014 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)n2)C1 ZINC000864797283 672210954 /nfs/dbraw/zinc/21/09/54/672210954.db2.gz VPHDQNZKJYELEF-DGCLKSJQSA-N 2 0 354.405 0.415 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357547 676017553 /nfs/dbraw/zinc/01/75/53/676017553.db2.gz SEPAMOZRHGWFAR-WCXIOVBPSA-N 2 0 350.507 0.584 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CCC3)CC2)CC[N@@H+]1C ZINC001055583708 676025417 /nfs/dbraw/zinc/02/54/17/676025417.db2.gz ZJPKUAIAZJZSKU-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056426730 676045709 /nfs/dbraw/zinc/04/57/09/676045709.db2.gz LGVIZALQEWQPKP-VQHPVUNQSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874456937 672785704 /nfs/dbraw/zinc/78/57/04/672785704.db2.gz POMVLRWNRBOFED-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874456938 672785854 /nfs/dbraw/zinc/78/58/54/672785854.db2.gz POMVLRWNRBOFED-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000876781317 672979636 /nfs/dbraw/zinc/97/96/36/672979636.db2.gz FXSLMPWDASAIFK-HUUCEWRRSA-N 3 0 353.417 0.550 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000876873599 672984075 /nfs/dbraw/zinc/98/40/75/672984075.db2.gz LDXBQCGKCCWKLO-JYJNAYRXSA-N 2 0 359.536 0.861 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000876873601 672984210 /nfs/dbraw/zinc/98/42/10/672984210.db2.gz LDXBQCGKCCWKLO-XHSDSOJGSA-N 2 0 359.536 0.861 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000879248125 673107448 /nfs/dbraw/zinc/10/74/48/673107448.db2.gz IWJJGZZHLIGQEV-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3snnc3C)C2)CC[N@@H+]1C ZINC001051625411 676106969 /nfs/dbraw/zinc/10/69/69/676106969.db2.gz ZWGIGSUJQYPUEY-QLFBSQMISA-N 2 0 367.519 0.894 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC001052031267 676112889 /nfs/dbraw/zinc/11/28/89/676112889.db2.gz IPGWFKKLMZAFFP-OKZBNKHCSA-N 2 0 352.523 0.318 20 0 FCADRP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882489133 673315634 /nfs/dbraw/zinc/31/56/34/673315634.db2.gz MJIGRDNSYOWGGN-QBPKDAKJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884232579 673440550 /nfs/dbraw/zinc/44/05/50/673440550.db2.gz VXOWPHBQAHUMCZ-OAHLLOKOSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884232578 673440738 /nfs/dbraw/zinc/44/07/38/673440738.db2.gz VXOWPHBQAHUMCZ-HNNXBMFYSA-N 2 0 352.523 0.975 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884486138 673456665 /nfs/dbraw/zinc/45/66/65/673456665.db2.gz PBWSCHZHXLBXJA-GJZGRUSLSA-N 2 0 362.499 0.649 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516827 673459043 /nfs/dbraw/zinc/45/90/43/673459043.db2.gz VPEJYIQBTWKYHO-CVEARBPZSA-N 2 0 352.479 0.086 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884546178 673460958 /nfs/dbraw/zinc/46/09/58/673460958.db2.gz CHTAKOHGAUBXBP-NWDGAFQWSA-N 2 0 352.401 0.430 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884546734 673460990 /nfs/dbraw/zinc/46/09/90/673460990.db2.gz SHWCARIIWINPGX-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884546255 673461011 /nfs/dbraw/zinc/46/10/11/673461011.db2.gz FKTQDRQRTYYVHJ-UHFFFAOYSA-N 2 0 353.492 0.335 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884577583 673463543 /nfs/dbraw/zinc/46/35/43/673463543.db2.gz IIBRFQBOVMJBBX-CYJAXWMASA-N 2 0 350.507 0.539 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884597494 673464773 /nfs/dbraw/zinc/46/47/73/673464773.db2.gz BVEAACWCJCNPJE-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884603776 673465346 /nfs/dbraw/zinc/46/53/46/673465346.db2.gz QWXKXADCCUUWBD-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000884616671 673466175 /nfs/dbraw/zinc/46/61/75/673466175.db2.gz AEWBURPGHDKNTD-FOGDFJRCSA-N 2 0 350.385 0.181 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)[N@H+](C)C1CC1 ZINC000884617916 673466341 /nfs/dbraw/zinc/46/63/41/673466341.db2.gz URKDKHYVMBNGOO-JTQLQIEISA-N 2 0 351.476 0.085 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)C[NH+]1CCCC1 ZINC000884632873 673468159 /nfs/dbraw/zinc/46/81/59/673468159.db2.gz GZQVJZFIDRRFRZ-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000884634048 673468373 /nfs/dbraw/zinc/46/83/73/673468373.db2.gz LELROAIRRLJIBK-NUWOQIAWSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCCC1 ZINC000884669259 673470946 /nfs/dbraw/zinc/47/09/46/673470946.db2.gz QNTLGRJVKKIRET-CYBMUJFWSA-N 2 0 360.449 0.728 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000884669667 673471199 /nfs/dbraw/zinc/47/11/99/673471199.db2.gz CJWJDGUGFJSPDJ-DGCLKSJQSA-N 2 0 363.487 0.230 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000884682902 673472130 /nfs/dbraw/zinc/47/21/30/673472130.db2.gz ODXODRNVZWFMBQ-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000884705748 673475006 /nfs/dbraw/zinc/47/50/06/673475006.db2.gz GTAXFKAXCBMGBT-UONOGXRCSA-N 2 0 354.495 0.548 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884774300 673480884 /nfs/dbraw/zinc/48/08/84/673480884.db2.gz KDGBVQFCIHYFGF-NNYUYHANSA-N 2 0 350.385 0.038 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](C)O1 ZINC000884910696 673490630 /nfs/dbraw/zinc/49/06/30/673490630.db2.gz BSUVROMXVFDFDF-KLHDSHLOSA-N 2 0 354.495 0.236 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)C2)CC1 ZINC000884922365 673491453 /nfs/dbraw/zinc/49/14/53/673491453.db2.gz UEVRVYITFNNOOQ-XIRDDKMYSA-N 2 0 350.507 0.810 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC[C@@H]21 ZINC000884970069 673494332 /nfs/dbraw/zinc/49/43/32/673494332.db2.gz CUQAOJKQXSTDJZ-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCCCC1 ZINC000885014648 673498246 /nfs/dbraw/zinc/49/82/46/673498246.db2.gz LYVYITJKFIKSPJ-NXOAAHMSSA-N 2 0 350.507 0.871 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139496 673505085 /nfs/dbraw/zinc/50/50/85/673505085.db2.gz IWUILXRLKZYHLH-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621800 673593529 /nfs/dbraw/zinc/59/35/29/673593529.db2.gz BNLJXBFAYASZQN-ZHALLVOQSA-N 2 0 353.507 0.696 20 0 FCADRP CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000886850967 673602794 /nfs/dbraw/zinc/60/27/94/673602794.db2.gz ZSPROXDPZXZIHE-KRWDZBQOSA-N 2 0 352.523 0.822 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000888042577 673665633 /nfs/dbraw/zinc/66/56/33/673665633.db2.gz WSEQHRVJPJANBD-FZKCQIBNSA-N 2 0 356.511 0.159 20 0 FCADRP C[NH+]1CCN(CCC[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924579447 673758929 /nfs/dbraw/zinc/75/89/29/673758929.db2.gz WXPSSCKIYDFWAO-MRXNPFEDSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023665 673774374 /nfs/dbraw/zinc/77/43/74/673774374.db2.gz OKDQBHCNDYVFFF-WBVHZDCISA-N 2 0 361.552 0.873 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cn1 ZINC000925581783 673794226 /nfs/dbraw/zinc/79/42/26/673794226.db2.gz VANDWKPVHXADQG-NCZBFZFDSA-N 2 0 365.503 0.159 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)n1 ZINC000926044984 673809656 /nfs/dbraw/zinc/80/96/56/673809656.db2.gz GNDZOBCZABCFHT-AWEZNQCLSA-N 2 0 350.467 0.725 20 0 FCADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926170130 673814920 /nfs/dbraw/zinc/81/49/20/673814920.db2.gz IGOFEGOLZFEYNL-RWQQGDIJSA-N 2 0 352.523 0.220 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@@H]1CCOC1 ZINC000927520129 673865374 /nfs/dbraw/zinc/86/53/74/673865374.db2.gz WNWXQPFHEDLJFT-DLBZAZTESA-N 2 0 356.511 0.849 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642370 673874964 /nfs/dbraw/zinc/87/49/64/673874964.db2.gz CEXDLJZQTQHJEE-MRXNPFEDSA-N 2 0 354.495 0.338 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929189493 673942710 /nfs/dbraw/zinc/94/27/10/673942710.db2.gz QFOQSGKELIZGHX-ZIAGYGMSSA-N 2 0 350.488 0.822 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000929537394 673961867 /nfs/dbraw/zinc/96/18/67/673961867.db2.gz XRQWQARMEUNENB-CQSZACIVSA-N 2 0 354.520 0.285 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000968740655 675228364 /nfs/dbraw/zinc/22/83/64/675228364.db2.gz UZFRAGSLNNGAEA-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001007982035 675305301 /nfs/dbraw/zinc/30/53/01/675305301.db2.gz AYDCTCCCMIPJEP-GGXPGOJBSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)CC[N@@H+]1C ZINC001008206996 675311118 /nfs/dbraw/zinc/31/11/18/675311118.db2.gz GTNJHPNMDLVUIW-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011208933 675377033 /nfs/dbraw/zinc/37/70/33/675377033.db2.gz VNMMXKCTMPPGPV-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019070147 675420952 /nfs/dbraw/zinc/42/09/52/675420952.db2.gz ASFBBLIUEBKFIV-OAGGEKHMSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000900187371 675667873 /nfs/dbraw/zinc/66/78/73/675667873.db2.gz GQSDNFVADUXNRL-UHFFFAOYSA-N 2 0 353.555 0.546 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900693930 675708407 /nfs/dbraw/zinc/70/84/07/675708407.db2.gz BPSOWTDUWVPXBG-INIZCTEOSA-N 2 0 350.511 0.448 20 0 FCADRP c1cn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c([C@@H]2CCC[NH2+]C2)n1 ZINC001167058085 1167843810 /nfs/dbraw/zinc/84/38/10/1167843810.db2.gz XQADVLNVGVKVMW-CYBMUJFWSA-N 2 0 355.446 0.934 20 0 FCADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC001020614434 1168161362 /nfs/dbraw/zinc/16/13/62/1168161362.db2.gz ZUTUJCGRIIIJLV-RWQQGDIJSA-N 2 0 368.485 0.897 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001167096045 1168207002 /nfs/dbraw/zinc/20/70/02/1168207002.db2.gz RMBNSVQQNGATFR-NXHRZFHOSA-N 2 0 360.502 0.904 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000970042938 1168302745 /nfs/dbraw/zinc/30/27/45/1168302745.db2.gz PVJPAVMHBILMOX-QRVBRYPASA-N 2 0 370.497 0.755 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cn(C)nn2)O1 ZINC001021297721 1168962697 /nfs/dbraw/zinc/96/26/97/1168962697.db2.gz UBVZQNRQBXLYJR-IBWRZXHSSA-N 2 0 362.478 0.146 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897527005 1192372032 /nfs/dbraw/zinc/37/20/32/1192372032.db2.gz WBOAOPHQGSOPBJ-HOTGVXAUSA-N 2 0 361.490 0.965 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001021699285 1169894354 /nfs/dbraw/zinc/89/43/54/1169894354.db2.gz NRXQBTWOMSMUGW-HDMKZQKVSA-N 2 0 371.485 0.772 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC001021701622 1169896029 /nfs/dbraw/zinc/89/60/29/1169896029.db2.gz BGDNOYGMMWQXLI-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001104348780 1170203179 /nfs/dbraw/zinc/20/31/79/1170203179.db2.gz UGRDYTJYMXZKGI-KBAYOESNSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@H](CO)[N@@H+](Cc1cccc(C[NH+](C[C@H](C)O)[C@@H](C)CO)c1)C[C@H](C)O ZINC000276220762 1170360202 /nfs/dbraw/zinc/36/02/02/1170360202.db2.gz QOBJUSGOLXSYHG-MHORFTMASA-N 2 0 368.518 0.814 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038356 1170455540 /nfs/dbraw/zinc/45/55/40/1170455540.db2.gz OFNSGHKHOCIIEI-RYQLBKOJSA-N 2 0 362.518 0.872 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221077 1170586001 /nfs/dbraw/zinc/58/60/01/1170586001.db2.gz JMSWEZDMSWGXHR-BHYGNILZSA-N 2 0 365.478 0.005 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022211417 1170753525 /nfs/dbraw/zinc/75/35/25/1170753525.db2.gz QWZCRRIHULKGOO-YESZJQIVSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C[NH+](C)C ZINC000891663654 1170802714 /nfs/dbraw/zinc/80/27/14/1170802714.db2.gz BSKCGGWBCXYPIE-YJNKXOJESA-N 2 0 367.494 0.539 20 0 FCADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CCC(=O)NC1=O ZINC001691181037 1170851577 /nfs/dbraw/zinc/85/15/77/1170851577.db2.gz OHGKUZSHXSTQQG-RRFJBIMHSA-N 2 0 352.479 0.350 20 0 FCADRP CO[C@H]1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)N(C)C1 ZINC000328935687 1170862855 /nfs/dbraw/zinc/86/28/55/1170862855.db2.gz JHMDOWDTJJLRHC-ROUUACIJSA-N 2 0 374.485 0.661 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988751218 1192437957 /nfs/dbraw/zinc/43/79/57/1192437957.db2.gz KBRVZZNMMAFLAT-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cnn(C)c2)on1 ZINC001691284105 1171033600 /nfs/dbraw/zinc/03/36/00/1171033600.db2.gz ZQIILFTTWFHCSO-DLBZAZTESA-N 2 0 360.462 0.752 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022426723 1171056077 /nfs/dbraw/zinc/05/60/77/1171056077.db2.gz MRKAWWDENBHKKR-YESZJQIVSA-N 2 0 359.474 0.735 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]C[C@H](C)O ZINC001691323330 1171095074 /nfs/dbraw/zinc/09/50/74/1171095074.db2.gz IMEFSPLUINOGEP-GVDBMIGSSA-N 2 0 353.507 0.696 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001691324490 1171097471 /nfs/dbraw/zinc/09/74/71/1171097471.db2.gz IJTOWESNTXKQBD-MGPQQGTHSA-N 2 0 351.451 0.698 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001691370207 1171223053 /nfs/dbraw/zinc/22/30/53/1171223053.db2.gz HUMQBXBEVBBTMC-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC001022516848 1171353104 /nfs/dbraw/zinc/35/31/04/1171353104.db2.gz ZSYUFQUXWSWCHO-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892266562 1171874455 /nfs/dbraw/zinc/87/44/55/1171874455.db2.gz KDTBGGDECDQQAW-IRXDYDNUSA-N 2 0 365.522 0.224 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC000972243221 1171880097 /nfs/dbraw/zinc/88/00/97/1171880097.db2.gz RTIWWZLEQLMINR-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892275608 1171956602 /nfs/dbraw/zinc/95/66/02/1171956602.db2.gz YYFTVEAYABOEET-DLBZAZTESA-N 2 0 365.522 0.367 20 0 FCADRP O=C(N1CCO[C@@H]2CN(CCO[C@H]3CC3(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249503 1172020537 /nfs/dbraw/zinc/02/05/37/1172020537.db2.gz ICAJFSTZKXWAAN-ZNMIVQPWSA-N 2 0 371.428 0.418 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)CCN1CCOCC1 ZINC000988840004 1192527374 /nfs/dbraw/zinc/52/73/74/1192527374.db2.gz DDVAVLGBAXNVQP-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000989061220 1192667025 /nfs/dbraw/zinc/66/70/25/1192667025.db2.gz OBAKYPNALVYXMV-WBVHZDCISA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000897649532 1192840225 /nfs/dbraw/zinc/84/02/25/1192840225.db2.gz TVEQATGXMLQKPS-GJZGRUSLSA-N 2 0 359.474 0.718 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000897669444 1192840526 /nfs/dbraw/zinc/84/05/26/1192840526.db2.gz UQTBWLGQSOYNQG-WBVHZDCISA-N 2 0 371.485 0.719 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@@H+]1C ZINC000897717574 1192843995 /nfs/dbraw/zinc/84/39/95/1192843995.db2.gz UFCOFPZSGSYMSV-PMPSAXMXSA-N 2 0 359.474 0.718 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000898129006 1192859125 /nfs/dbraw/zinc/85/91/25/1192859125.db2.gz XLDKRAMZYLXTQH-CVEARBPZSA-N 2 0 359.474 0.719 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547910 1192870183 /nfs/dbraw/zinc/87/01/83/1192870183.db2.gz SCXBQEMUGCPHTB-IXDOHACOSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087231188 1178852178 /nfs/dbraw/zinc/85/21/78/1178852178.db2.gz ISCBMXJJNRNWRP-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP CCN1CC[NH+](CCCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478526 1179161914 /nfs/dbraw/zinc/16/19/14/1179161914.db2.gz UHQYTFZSPCEHMI-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)c2)CC1 ZINC000583612695 1179218492 /nfs/dbraw/zinc/21/84/92/1179218492.db2.gz HSLHLIDKQONLTN-KRWDZBQOSA-N 2 0 373.501 0.570 20 0 FCADRP CC(C)n1nnnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001087245807 1179956803 /nfs/dbraw/zinc/95/68/03/1179956803.db2.gz LPPDNEVFGGQJGN-OAGGEKHMSA-N 2 0 363.510 0.922 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC000972607486 1179971103 /nfs/dbraw/zinc/97/11/03/1179971103.db2.gz JNZMRYGAZULRPP-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972637857 1180088557 /nfs/dbraw/zinc/08/85/57/1180088557.db2.gz DAHYXQRGJKVPIX-QBPKDAKJSA-N 2 0 362.518 0.870 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001023843561 1180390167 /nfs/dbraw/zinc/39/01/67/1180390167.db2.gz OSDGNXXAWYNXKH-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518283 1180829319 /nfs/dbraw/zinc/82/93/19/1180829319.db2.gz AVCGYBGSCQDMJI-KXBFYZLASA-N 2 0 360.506 0.875 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024120445 1180853886 /nfs/dbraw/zinc/85/38/86/1180853886.db2.gz CWSRECHDYCOJGU-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462540 1181206530 /nfs/dbraw/zinc/20/65/30/1181206530.db2.gz OKVPOUJUJMBCKL-IAGOWNOFSA-N 2 0 371.441 0.040 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001024492028 1181239918 /nfs/dbraw/zinc/23/99/18/1181239918.db2.gz AIJOSSFQEVDFSY-BRWVUGGUSA-N 2 0 371.441 0.349 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001024503519 1181252334 /nfs/dbraw/zinc/25/23/34/1181252334.db2.gz GFQBUEPALULXPZ-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001024503518 1181253135 /nfs/dbraw/zinc/25/31/35/1181253135.db2.gz GFQBUEPALULXPZ-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001691766083 1181485094 /nfs/dbraw/zinc/48/50/94/1181485094.db2.gz LJOVJOZSLKBJPK-KZNAEPCWSA-N 2 0 363.506 0.678 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000892523022 1181728325 /nfs/dbraw/zinc/72/83/25/1181728325.db2.gz ANSOMMWQBAYCTO-UHFFFAOYSA-N 2 0 357.462 0.963 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](O)[C@H](F)C1 ZINC000892542908 1181843338 /nfs/dbraw/zinc/84/33/38/1181843338.db2.gz BLUFSCPRLVIJEU-SJORKVTESA-N 2 0 365.453 0.708 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)[NH+](C)C ZINC001024999613 1181843905 /nfs/dbraw/zinc/84/39/05/1181843905.db2.gz WXEZIIGFXPFPNM-OAGGEKHMSA-N 2 0 368.522 0.135 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104624137 1182302110 /nfs/dbraw/zinc/30/21/10/1182302110.db2.gz PFSYDCMYWXAAPF-NVXWUHKLSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000973550418 1182381000 /nfs/dbraw/zinc/38/10/00/1182381000.db2.gz KTFZDYLTEXOUPJ-RFBLXINOSA-N 2 0 359.474 0.629 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758757 1182481837 /nfs/dbraw/zinc/48/18/37/1182481837.db2.gz LLJLPEJBCFKSBZ-QGZVFWFLSA-N 2 0 369.554 0.670 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892802444 1182511750 /nfs/dbraw/zinc/51/17/50/1182511750.db2.gz MQKYJXQOFCYWBW-LJQANCHMSA-N 2 0 359.518 0.980 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794063 1182845936 /nfs/dbraw/zinc/84/59/36/1182845936.db2.gz RVTYDZPWFXGKLR-FFRIZKCHSA-N 2 0 362.518 0.772 20 0 FCADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001481231696 1182926470 /nfs/dbraw/zinc/92/64/70/1182926470.db2.gz LZDYHYFEGIGVSJ-JHJVBQTASA-N 2 0 353.492 0.858 20 0 FCADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231964 1182929085 /nfs/dbraw/zinc/92/90/85/1182929085.db2.gz STSCGTKTWNZEJP-IJLUTSLNSA-N 2 0 352.401 0.442 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104908805 1182990635 /nfs/dbraw/zinc/99/06/35/1182990635.db2.gz LLOVFDXULPBEFZ-IXDOHACOSA-N 2 0 365.522 0.428 20 0 FCADRP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001104908185 1182990967 /nfs/dbraw/zinc/99/09/67/1182990967.db2.gz MSNWIDYWCXCGIF-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104917031 1182992367 /nfs/dbraw/zinc/99/23/67/1182992367.db2.gz NOXBUHGUVGMHQP-QLFBSQMISA-N 2 0 361.490 0.970 20 0 FCADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104909041 1182992618 /nfs/dbraw/zinc/99/26/18/1182992618.db2.gz UPQBJWXOBZJIJC-HUUCEWRRSA-N 2 0 363.506 0.952 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001105007666 1183065904 /nfs/dbraw/zinc/06/59/04/1183065904.db2.gz DHIRWRPJQIDMTR-NXHRZFHOSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001105007919 1183066048 /nfs/dbraw/zinc/06/60/48/1183066048.db2.gz IIPARUWUYUCXSA-RBSFLKMASA-N 2 0 361.494 0.534 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014070 1183067553 /nfs/dbraw/zinc/06/75/53/1183067553.db2.gz BHSIGXXBZHDJDK-HZPDHXFCSA-N 2 0 363.510 0.924 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001105042069 1183090047 /nfs/dbraw/zinc/09/00/47/1183090047.db2.gz MXVBBKFIAQCMFI-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001105067033 1183101076 /nfs/dbraw/zinc/10/10/76/1183101076.db2.gz KAQVIPKQZJHPMD-KURKYZTESA-N 2 0 365.522 0.658 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105066914 1183101265 /nfs/dbraw/zinc/10/12/65/1183101265.db2.gz GFFZKNMZCSVPPO-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP COc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)on1 ZINC001026514460 1183145944 /nfs/dbraw/zinc/14/59/44/1183145944.db2.gz DZDFMVPBXMQXEP-UWLZSVRSSA-N 2 0 366.462 0.919 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974567017 1183337344 /nfs/dbraw/zinc/33/73/44/1183337344.db2.gz SZJPEINXVQLGJF-BRWVUGGUSA-N 2 0 360.502 0.768 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2CCF)C1 ZINC001112523317 1183375657 /nfs/dbraw/zinc/37/56/57/1183375657.db2.gz MVUMWUXZOFRQQP-YJBOKZPZSA-N 2 0 366.485 0.918 20 0 FCADRP CN(C)c1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)n1 ZINC001112523432 1183389874 /nfs/dbraw/zinc/38/98/74/1183389874.db2.gz STCAQWLXRYIVGO-KSSFIOAISA-N 2 0 364.494 0.806 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)n3C)C2)CC[N@@H+]1C ZINC001026852907 1183416085 /nfs/dbraw/zinc/41/60/85/1183416085.db2.gz SUJJZRGXEBKBGY-IJEWVQPXSA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(C4CC4)nn3C)C2)CC[N@@H+]1C ZINC001026853190 1183417153 /nfs/dbraw/zinc/41/71/53/1183417153.db2.gz AEVLOGHATQXYHK-IIAWOOMASA-N 2 0 360.506 0.971 20 0 FCADRP CCCc1nc(CNC[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)no1 ZINC001026916500 1183490495 /nfs/dbraw/zinc/49/04/95/1183490495.db2.gz INFWLGPUVMKNCD-RBSFLKMASA-N 2 0 365.478 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000978874064 1186016284 /nfs/dbraw/zinc/01/62/84/1186016284.db2.gz JAPYLIKEVFKRGL-AGTSVGGPSA-N 2 0 362.518 0.679 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112529796 1186093240 /nfs/dbraw/zinc/09/32/40/1186093240.db2.gz PPPAOZBOYHLXCD-LNLFQRSKSA-N 2 0 360.506 0.981 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000979871324 1186132918 /nfs/dbraw/zinc/13/29/18/1186132918.db2.gz JAPYLIKEVFKRGL-TWPTVVAISA-N 2 0 362.518 0.679 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2nnnn2C)C1 ZINC001211695014 1186211106 /nfs/dbraw/zinc/21/11/06/1186211106.db2.gz FNZCXUSAHPXHKM-DLBZAZTESA-N 2 0 371.489 0.636 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001112531313 1186214581 /nfs/dbraw/zinc/21/45/81/1186214581.db2.gz QWIOVXFLKCMLKG-DEYYWGMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001481514281 1186214641 /nfs/dbraw/zinc/21/46/41/1186214641.db2.gz VXQPHFHPZKTAEG-VNHYZAJKSA-N 2 0 367.494 0.080 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981377073 1186405636 /nfs/dbraw/zinc/40/56/36/1186405636.db2.gz XHNZWPFUYQZKIC-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784624 1186520665 /nfs/dbraw/zinc/52/06/65/1186520665.db2.gz RCXASCZSBPRMIE-BBWFWOEESA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)N(C)C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282498 1186696961 /nfs/dbraw/zinc/69/69/61/1186696961.db2.gz AUFUSSJYBZBMII-ACZWYYKOSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927636410 1187543963 /nfs/dbraw/zinc/54/39/63/1187543963.db2.gz FNDJTFLQBZBBRR-DOTOQJQBSA-N 2 0 368.522 0.726 20 0 FCADRP CCCn1nnnc1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552023 1187604220 /nfs/dbraw/zinc/60/42/20/1187604220.db2.gz DNRXMXHXOBEMMO-HRCADAONSA-N 2 0 363.510 0.752 20 0 FCADRP C[NH+](C)CCC(=O)N1CCn2c(C(=O)NC3CC[NH+](C)CC3)cnc2C1 ZINC001270060278 1187981817 /nfs/dbraw/zinc/98/18/17/1187981817.db2.gz FOZGQJAZPIICKT-UHFFFAOYSA-N 2 0 362.478 0.001 20 0 FCADRP C[NH+](C)CCC(=O)N1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001270062451 1187984159 /nfs/dbraw/zinc/98/41/59/1187984159.db2.gz YZOCRFDBVQHDDJ-UHFFFAOYSA-N 2 0 362.478 0.070 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270102944 1188010171 /nfs/dbraw/zinc/01/01/71/1188010171.db2.gz SEALCQIVINYFQM-YLJYHZDGSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033760 1188212955 /nfs/dbraw/zinc/21/29/55/1188212955.db2.gz HLACFYDTXWFAIX-PKOBYXMFSA-N 2 0 372.513 0.876 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000785400007 1188220766 /nfs/dbraw/zinc/22/07/66/1188220766.db2.gz SNTVPNMBEAORMZ-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000550098976 1188223854 /nfs/dbraw/zinc/22/38/54/1188223854.db2.gz YCAKADGFYWPAQD-KRWDZBQOSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983676809 1188255491 /nfs/dbraw/zinc/25/54/91/1188255491.db2.gz ZBTNQZCAJWUNLE-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC000983708715 1188277530 /nfs/dbraw/zinc/27/75/30/1188277530.db2.gz MTDIVOIOUYRXBR-HCZIRCDUSA-N 2 0 361.494 0.894 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CCCc1nc(C)no1 ZINC001087529382 1189383067 /nfs/dbraw/zinc/38/30/67/1189383067.db2.gz DUIWNXYCQAZFPP-ARFHVFGLSA-N 2 0 365.478 0.610 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550455410 1189489191 /nfs/dbraw/zinc/48/91/91/1189489191.db2.gz KIVRJRYSGSASKH-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000550458726 1189519909 /nfs/dbraw/zinc/51/99/09/1189519909.db2.gz VZYZQGBXBUVAFW-IXDOHACOSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCN1CCNC1=O ZINC001087570006 1189605852 /nfs/dbraw/zinc/60/58/52/1189605852.db2.gz WRBFUMJDIPDKNK-GVDBMIGSSA-N 2 0 365.522 0.854 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087574158 1189607537 /nfs/dbraw/zinc/60/75/37/1189607537.db2.gz VFKBQAPCZIPHMH-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593656 1189639031 /nfs/dbraw/zinc/63/90/31/1189639031.db2.gz PEJSEYKIUWANAV-BBWFWOEESA-N 2 0 365.522 0.855 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964655 1190012268 /nfs/dbraw/zinc/01/22/68/1190012268.db2.gz VFBZBDNNJALRHH-SQNIBIBYSA-N 2 0 362.518 0.872 20 0 FCADRP CCn1ncnc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971796 1190032265 /nfs/dbraw/zinc/03/22/65/1190032265.db2.gz UJWQTKYOHBXHNY-WCXIOVBPSA-N 2 0 360.506 0.919 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992621 1190143650 /nfs/dbraw/zinc/14/36/50/1190143650.db2.gz CNMLXSZPINNELY-IKGGRYGDSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088002798 1190183960 /nfs/dbraw/zinc/18/39/60/1190183960.db2.gz UKWFRYWYNSDQGD-AOIWGVFYSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105726 1190592644 /nfs/dbraw/zinc/59/26/44/1190592644.db2.gz AFPPGJJLVBANIQ-ZACQAIPSSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000985164731 1190662075 /nfs/dbraw/zinc/66/20/75/1190662075.db2.gz VZTQQMMNDMNHTB-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986129580 1190900479 /nfs/dbraw/zinc/90/04/79/1190900479.db2.gz BHXCONXUQSACSL-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4cncn4C)C[C@H]3C2)CC[N@@H+]1C ZINC000986191249 1190917519 /nfs/dbraw/zinc/91/75/19/1190917519.db2.gz RVFWDKOQXCMMGS-XLMAVXFVSA-N 2 0 373.501 0.610 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000988190949 1191157950 /nfs/dbraw/zinc/15/79/50/1191157950.db2.gz RIWCZZSDGCSECX-JLSDUUJJSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000897468906 1191202004 /nfs/dbraw/zinc/20/20/04/1191202004.db2.gz BFAVZFCJJLMKQT-MRXNPFEDSA-N 2 0 365.522 0.844 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000897468905 1191202082 /nfs/dbraw/zinc/20/20/82/1191202082.db2.gz BFAVZFCJJLMKQT-INIZCTEOSA-N 2 0 365.522 0.844 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144775 1224142671 /nfs/dbraw/zinc/14/26/71/1224142671.db2.gz SCNBVYQCSBFIKK-GRYCIOLGSA-N 2 0 364.446 0.528 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161632 1224143797 /nfs/dbraw/zinc/14/37/97/1224143797.db2.gz HTFYJPVFWNVLPC-XMTFNYHQSA-N 2 0 369.506 0.432 20 0 FCADRP CC(C)OCC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276778853 1224150833 /nfs/dbraw/zinc/15/08/33/1224150833.db2.gz MAYBKRJZFBRTDK-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000550690277 1193735184 /nfs/dbraw/zinc/73/51/84/1193735184.db2.gz HLLAIUXIOKAKHX-UHFFFAOYSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001691614293 1193801673 /nfs/dbraw/zinc/80/16/73/1193801673.db2.gz PGQKXJPTINTADZ-IIAWOOMASA-N 2 0 367.494 0.319 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001691620766 1193807970 /nfs/dbraw/zinc/80/79/70/1193807970.db2.gz LBCAHQKTSRAZDT-ARFHVFGLSA-N 2 0 359.536 0.637 20 0 FCADRP CC(C)OCCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000551068903 1193831243 /nfs/dbraw/zinc/83/12/43/1193831243.db2.gz BFKIWIOTGYRTMT-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(C)n1 ZINC001218538328 1224170940 /nfs/dbraw/zinc/17/09/40/1224170940.db2.gz SWWUSINIHDRJAS-ZFWWWQNUSA-N 2 0 363.462 0.784 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000551160103 1193837791 /nfs/dbraw/zinc/83/77/91/1193837791.db2.gz ZPLFCBVMZVCYPF-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105641467 1193844908 /nfs/dbraw/zinc/84/49/08/1193844908.db2.gz BNWBHNABLJAJDX-GTACMHHNSA-N 2 0 368.522 0.168 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000551226996 1193844945 /nfs/dbraw/zinc/84/49/45/1193844945.db2.gz KSTKITPRMBHISG-UHFFFAOYSA-N 2 0 362.474 0.190 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)Cn2cnc3c2CCCC3)CC[N@@H+]1CCn1cncn1 ZINC001088752311 1193885212 /nfs/dbraw/zinc/88/52/12/1193885212.db2.gz HSJSGABEOAUBFR-CABCVRRESA-N 2 0 357.462 0.633 20 0 FCADRP Cc1conc1CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757146 1193891750 /nfs/dbraw/zinc/89/17/50/1193891750.db2.gz KWYKTVCPTBQEEL-ANYXQNHYSA-N 2 0 360.458 0.925 20 0 FCADRP O=C(CN1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)NC1CC1 ZINC001075993423 1193929586 /nfs/dbraw/zinc/92/95/86/1193929586.db2.gz USCZAUBWQQMZOD-WMLDXEAASA-N 2 0 353.426 0.759 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000552472752 1193933553 /nfs/dbraw/zinc/93/35/53/1193933553.db2.gz MAYVQYCSWNOBDE-OAHLLOKOSA-N 2 0 362.474 0.831 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000552495817 1193934411 /nfs/dbraw/zinc/93/44/11/1193934411.db2.gz UEJQYMNLHRVUAX-KRWDZBQOSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552748847 1193950026 /nfs/dbraw/zinc/95/00/26/1193950026.db2.gz KPVHLIUVPIOZBT-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105668645 1193953187 /nfs/dbraw/zinc/95/31/87/1193953187.db2.gz XZSMQCHDSNDAIR-OHDICMOHSA-N 2 0 368.522 0.170 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000553096953 1193971222 /nfs/dbraw/zinc/97/12/22/1193971222.db2.gz LVBWJEJHLXRPJZ-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000553396870 1193993561 /nfs/dbraw/zinc/99/35/61/1193993561.db2.gz JQXSWGWDIUVHSI-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553514195 1194003660 /nfs/dbraw/zinc/00/36/60/1194003660.db2.gz KCAQKSYAXCDQCF-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188615 1194084619 /nfs/dbraw/zinc/08/46/19/1194084619.db2.gz IZPAQJVZCVOPMF-XLIONFOSSA-N 2 0 374.485 0.119 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000842232044 1194106680 /nfs/dbraw/zinc/10/66/80/1194106680.db2.gz VSBPECYBSRBKPU-SFHVURJKSA-N 2 0 358.486 0.891 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@@H]21 ZINC000842230188 1194110111 /nfs/dbraw/zinc/11/01/11/1194110111.db2.gz WMCKKQKTEVNMMV-MSOLQXFVSA-N 2 0 358.486 0.747 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518734 1194124674 /nfs/dbraw/zinc/12/46/74/1194124674.db2.gz OCEKKDKUEOCVFM-JQHSSLGASA-N 2 0 363.506 0.102 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CC[NH2+]CC1 ZINC001218695425 1224198059 /nfs/dbraw/zinc/19/80/59/1224198059.db2.gz WIEDHYUJBCKSMM-MRXNPFEDSA-N 3 0 358.490 0.623 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107338 1194308799 /nfs/dbraw/zinc/30/87/99/1194308799.db2.gz QSLUVACZLTVUSJ-YESZJQIVSA-N 2 0 359.474 0.722 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076107302 1194309108 /nfs/dbraw/zinc/30/91/08/1194309108.db2.gz PPNVOKAAOWZBCF-RYQLBKOJSA-N 2 0 371.485 0.959 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001691626547 1194322381 /nfs/dbraw/zinc/32/23/81/1194322381.db2.gz JEDHXAYXRXMHJK-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174416 1194337917 /nfs/dbraw/zinc/33/79/17/1194337917.db2.gz LCGHPVOMVDGCJL-CGTJXYLNSA-N 2 0 361.490 0.562 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001076177325 1194339431 /nfs/dbraw/zinc/33/94/31/1194339431.db2.gz VVNBNXOTLQNTGV-XLAORIBOSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@H]3CN(Cc4cnnn4C)C[C@H]31)C2 ZINC001076245405 1194371195 /nfs/dbraw/zinc/37/11/95/1194371195.db2.gz ATVQEQKZEMIRMF-RVKKMQEKSA-N 2 0 369.473 0.615 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795546 1224223677 /nfs/dbraw/zinc/22/36/77/1224223677.db2.gz LYWKMYKXPVNPHY-BEFAXECRSA-N 2 0 368.522 0.138 20 0 FCADRP NC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001076574582 1194571879 /nfs/dbraw/zinc/57/18/79/1194571879.db2.gz KHWBUUNOUALJQQ-ZWKOTPCHSA-N 2 0 356.470 0.914 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)C1 ZINC001076567639 1194572695 /nfs/dbraw/zinc/57/26/95/1194572695.db2.gz CRIUKIGHRBEHAR-SQWLQELKSA-N 2 0 370.457 0.007 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001218879731 1224245609 /nfs/dbraw/zinc/24/56/09/1224245609.db2.gz HPRAYGSSNAOPHM-HNNXBMFYSA-N 2 0 372.469 0.829 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001218880465 1224245641 /nfs/dbraw/zinc/24/56/41/1224245641.db2.gz YFYYDLWGYUTWNX-MGPUTAFESA-N 2 0 372.469 0.829 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)cc2F)CC1 ZINC001218889819 1224250118 /nfs/dbraw/zinc/25/01/18/1224250118.db2.gz NHDSWEQXEISCJF-LIRRHRJNSA-N 2 0 361.465 0.858 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)COC(C)(C)C)C2 ZINC001276798472 1224251263 /nfs/dbraw/zinc/25/12/63/1224251263.db2.gz DKCHPUHECYLLIL-LPHOPBHVSA-N 2 0 371.522 0.275 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919643 1224259085 /nfs/dbraw/zinc/25/90/85/1224259085.db2.gz WUMFWEGHRRYASW-HRCADAONSA-N 2 0 362.478 0.019 20 0 FCADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218935330 1224265661 /nfs/dbraw/zinc/26/56/61/1224265661.db2.gz CYYGODIRRSDGQA-MRXNPFEDSA-N 2 0 367.457 0.251 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127893 1195242471 /nfs/dbraw/zinc/24/24/71/1195242471.db2.gz OCEKKDKUEOCVFM-CGTJXYLNSA-N 2 0 363.506 0.102 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001077133003 1195248331 /nfs/dbraw/zinc/24/83/31/1195248331.db2.gz FAMNMCIHOOFAJY-CEXWTWQISA-N 2 0 365.518 0.981 20 0 FCADRP C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218943752 1224268822 /nfs/dbraw/zinc/26/88/22/1224268822.db2.gz ACEMGDODJGDCGB-MLGOLLRUSA-N 2 0 372.473 0.236 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965234 1224273060 /nfs/dbraw/zinc/27/30/60/1224273060.db2.gz HYRNBSWYJRHCOW-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219783 1195328514 /nfs/dbraw/zinc/32/85/14/1195328514.db2.gz YCDNPEXASWMIMZ-QZTJIDSGSA-N 2 0 365.518 0.840 20 0 FCADRP CCN(CC)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218964925 1224273558 /nfs/dbraw/zinc/27/35/58/1224273558.db2.gz AGADCLYEEVBWAG-YESZJQIVSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@H](c1cnccn1)N1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970126 1224275324 /nfs/dbraw/zinc/27/53/24/1224275324.db2.gz CXAINUSQZQCCIM-HYVNUMGLSA-N 2 0 363.462 0.027 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001077396148 1195495034 /nfs/dbraw/zinc/49/50/34/1195495034.db2.gz QJCAGTVBWIRKQO-GVDBMIGSSA-N 2 0 358.442 0.924 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C[C@]1(O)CCOC1 ZINC000905113627 1195575606 /nfs/dbraw/zinc/57/56/06/1195575606.db2.gz IJSSIBCWNNVCLI-WOJBJXKFSA-N 2 0 364.486 0.635 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591174 1195590010 /nfs/dbraw/zinc/59/00/10/1195590010.db2.gz PCDHRUBKSRJJIF-NXHRZFHOSA-N 2 0 358.442 0.987 20 0 FCADRP Cn1ccc([C@H]2CCCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)n1 ZINC000905718514 1195598702 /nfs/dbraw/zinc/59/87/02/1195598702.db2.gz OQRKVJIVJAPQJA-AWEZNQCLSA-N 2 0 360.462 0.573 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906477961 1195633118 /nfs/dbraw/zinc/63/31/18/1195633118.db2.gz GAOCCYIZNPPOBX-QZTJIDSGSA-N 2 0 365.566 0.497 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664559 1195643389 /nfs/dbraw/zinc/64/33/89/1195643389.db2.gz LVVSDTYHYRKXEV-OAHLLOKOSA-N 2 0 359.474 0.369 20 0 FCADRP CCc1noc(C)c1CN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601697 1195652179 /nfs/dbraw/zinc/65/21/79/1195652179.db2.gz IYUKQSUWLRGTDA-SJORKVTESA-N 2 0 362.474 0.835 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000907005631 1195676360 /nfs/dbraw/zinc/67/63/60/1195676360.db2.gz XEWZMUSEWVPRPA-LJQANCHMSA-N 2 0 360.502 0.015 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)C1 ZINC000907083703 1195679941 /nfs/dbraw/zinc/67/99/41/1195679941.db2.gz ICRKMGHTGIEPOX-KRWDZBQOSA-N 2 0 360.506 0.654 20 0 FCADRP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607449 1195685769 /nfs/dbraw/zinc/68/57/69/1195685769.db2.gz YUYPILWKEOADCP-BBWFWOEESA-N 2 0 358.442 0.924 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000908613073 1195757209 /nfs/dbraw/zinc/75/72/09/1195757209.db2.gz SHPIHQZJKBPHRH-INIZCTEOSA-N 2 0 369.506 0.613 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1(C)C ZINC000910563301 1195820671 /nfs/dbraw/zinc/82/06/71/1195820671.db2.gz NJVGWAMUXPAGMF-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000910876196 1195855353 /nfs/dbraw/zinc/85/53/53/1195855353.db2.gz UTZXOEGHHIKVIP-UHFFFAOYSA-N 2 0 365.522 1.000 20 0 FCADRP [NH3+]CC1(c2ccccc2)CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000910986487 1195873768 /nfs/dbraw/zinc/87/37/68/1195873768.db2.gz JDIGLRYIFRBPSM-UHFFFAOYSA-N 2 0 355.442 0.518 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000911243349 1195922022 /nfs/dbraw/zinc/92/20/22/1195922022.db2.gz OKSGBNLQEPARBX-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644633 1195933411 /nfs/dbraw/zinc/93/34/11/1195933411.db2.gz OUFXRAHAVBKFFX-OLMNPRSZSA-N 2 0 358.442 0.926 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000911327064 1195934384 /nfs/dbraw/zinc/93/43/84/1195934384.db2.gz ANNKAUOOQFMHNT-QGZVFWFLSA-N 2 0 373.501 0.607 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000911401806 1195953944 /nfs/dbraw/zinc/95/39/44/1195953944.db2.gz CHYHNCAQVPZKAV-QGZVFWFLSA-N 2 0 359.474 0.754 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083668981 1196392312 /nfs/dbraw/zinc/39/23/12/1196392312.db2.gz OMNATYOCVYAFOL-QYZOEREBSA-N 2 0 365.518 0.839 20 0 FCADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077444110 1196406247 /nfs/dbraw/zinc/40/62/47/1196406247.db2.gz KUQNFDIRYCIXFL-ATZDWAIDSA-N 2 0 361.486 0.602 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCO[C@@H](C)C2)CC1=O ZINC000591644088 1196522697 /nfs/dbraw/zinc/52/26/97/1196522697.db2.gz PRIGNXXPNVZKBR-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000592487153 1196564533 /nfs/dbraw/zinc/56/45/33/1196564533.db2.gz CJVFRODSMNNCAZ-DLBZAZTESA-N 2 0 362.474 0.242 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000592964533 1196597011 /nfs/dbraw/zinc/59/70/11/1196597011.db2.gz RHFIGBPGPAWEJA-DLBZAZTESA-N 2 0 360.458 0.657 20 0 FCADRP CCn1nnc2c1[C@@H](C(=O)Nc1cccc(N3CC[NH2+]CC3)c1)CNC2 ZINC001219116864 1224360291 /nfs/dbraw/zinc/36/02/91/1224360291.db2.gz STMJCMZZJIUFCI-HNNXBMFYSA-N 2 0 355.446 0.533 20 0 FCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796616 1196739380 /nfs/dbraw/zinc/73/93/80/1196739380.db2.gz DNJJAUOPXMSDSF-SJORKVTESA-N 2 0 365.522 0.319 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088860393 1196805745 /nfs/dbraw/zinc/80/57/45/1196805745.db2.gz JGAOXDGLPMXZCZ-ZACQAIPSSA-N 2 0 363.506 0.555 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000172303902 1196842405 /nfs/dbraw/zinc/84/24/05/1196842405.db2.gz PTLSMQGNGOYNBT-UHFFFAOYSA-N 2 0 373.501 0.979 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038817 1196872764 /nfs/dbraw/zinc/87/27/64/1196872764.db2.gz MEQDPAMURYKDDC-ILXRZTDVSA-N 2 0 363.510 0.501 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC[N@@H+]1C ZINC000992091805 1196945680 /nfs/dbraw/zinc/94/56/80/1196945680.db2.gz RWRZPRSPCAOSSJ-RDTXWAMCSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)CC[N@@H+]1C ZINC000992399329 1197087575 /nfs/dbraw/zinc/08/75/75/1197087575.db2.gz IAEIUAYXHMGMDF-GVDBMIGSSA-N 2 0 366.506 0.153 20 0 FCADRP C[NH+](C)CC1(O)CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000913679676 1197107670 /nfs/dbraw/zinc/10/76/70/1197107670.db2.gz LVQDDPMPPKDMPX-UHFFFAOYSA-N 2 0 374.529 0.963 20 0 FCADRP [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)cc2)C1 ZINC001219232371 1224394695 /nfs/dbraw/zinc/39/46/95/1224394695.db2.gz BAQGVVLDFMRELR-PBHICJAKSA-N 2 0 371.485 0.668 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5nc[nH]c54)CC3)[C@@H]2C1 ZINC001272521982 1197250668 /nfs/dbraw/zinc/25/06/68/1197250668.db2.gz OUZOEPOVJYZFOW-BFHYXJOUSA-N 2 0 357.458 0.498 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148392 1197309397 /nfs/dbraw/zinc/30/93/97/1197309397.db2.gz NAGJOCDQVZGUBL-QBPKDAKJSA-N 2 0 368.522 0.163 20 0 FCADRP COc1cc2nc[nH]c(=O)c2cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219264161 1224408492 /nfs/dbraw/zinc/40/84/92/1224408492.db2.gz SRLYGKMRGOEECJ-LBPRGKRZSA-N 2 0 360.418 0.033 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219293774 1224417406 /nfs/dbraw/zinc/41/74/06/1224417406.db2.gz PFPKXTSLPLRWJG-XJKSGUPXSA-N 2 0 364.421 0.843 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1 ZINC000992839238 1197544588 /nfs/dbraw/zinc/54/45/88/1197544588.db2.gz IQWZZNAZBURILH-YZVOILCLSA-N 2 0 359.474 0.743 20 0 FCADRP COC(=O)c1ccc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C2CC2)c(N)c1 ZINC001219312887 1224422039 /nfs/dbraw/zinc/42/20/39/1224422039.db2.gz MUQVLVKZQRUZIU-BFUOFWGJSA-N 2 0 358.442 0.750 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)C1 ZINC000992934272 1197613550 /nfs/dbraw/zinc/61/35/50/1197613550.db2.gz FLUSIWOZQANGSE-TXPKVOOTSA-N 2 0 360.502 0.341 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC000992951047 1197628171 /nfs/dbraw/zinc/62/81/71/1197628171.db2.gz INOMGFYMTDXORT-ILZDJORESA-N 2 0 362.518 0.729 20 0 FCADRP Nc1c(F)cccc1N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CC[C@H](O)CC1 ZINC001219323615 1224427550 /nfs/dbraw/zinc/42/75/50/1224427550.db2.gz PHDYGWHCWGINTD-MGPQQGTHSA-N 2 0 362.449 0.853 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106200020 1197672305 /nfs/dbraw/zinc/67/23/05/1197672305.db2.gz FHLIMFNJAZWMBF-DJIMGWMZSA-N 2 0 370.513 0.877 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276230 1197743793 /nfs/dbraw/zinc/74/37/93/1197743793.db2.gz WWAKLSDKFOFKQY-WMZOPIPTSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001085257857 1197756726 /nfs/dbraw/zinc/75/67/26/1197756726.db2.gz CGMNROFZCKYBJV-KFWWJZLASA-N 2 0 362.474 0.437 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001085269883 1197774610 /nfs/dbraw/zinc/77/46/10/1197774610.db2.gz ZFGORGBRMQIFNC-BPLDGKMQSA-N 2 0 356.430 0.772 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106247825 1197780538 /nfs/dbraw/zinc/78/05/38/1197780538.db2.gz CRFLLFZKEVOGQI-BRWVUGGUSA-N 2 0 364.534 0.927 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667527 1197802307 /nfs/dbraw/zinc/80/23/07/1197802307.db2.gz HGTLRSLTSZGCAU-RCCFBDPRSA-N 2 0 365.522 0.271 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085332270 1197825196 /nfs/dbraw/zinc/82/51/96/1197825196.db2.gz QRGQHXWEKSHUFV-RRFJBIMHSA-N 2 0 365.478 0.040 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085332558 1197825976 /nfs/dbraw/zinc/82/59/76/1197825976.db2.gz CNSHQIJSOVMVRD-GVDBMIGSSA-N 2 0 366.506 0.204 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001085359693 1197842053 /nfs/dbraw/zinc/84/20/53/1197842053.db2.gz VNFLWNYQOXPGBH-BZUAXINKSA-N 2 0 364.494 0.339 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1)[NH+](C)C ZINC001106309203 1197861122 /nfs/dbraw/zinc/86/11/22/1197861122.db2.gz PKHBXENKFAHGDC-BPLDGKMQSA-N 2 0 365.478 0.946 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001085395570 1197864231 /nfs/dbraw/zinc/86/42/31/1197864231.db2.gz ROFKACPFHLMOBQ-BZUAXINKSA-N 2 0 358.490 0.878 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106346402 1197873750 /nfs/dbraw/zinc/87/37/50/1197873750.db2.gz BOPNGDKOTKLSSG-HZPDHXFCSA-N 2 0 361.490 0.680 20 0 FCADRP CCOC(=O)c1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c2c1OCCO2 ZINC001219375514 1224447244 /nfs/dbraw/zinc/44/72/44/1224447244.db2.gz QMKKVNNCCBFOCU-CQSZACIVSA-N 2 0 363.414 0.900 20 0 FCADRP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453833 1197935474 /nfs/dbraw/zinc/93/54/74/1197935474.db2.gz ZSHIGTSZIUPSRO-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001066277282 1197941843 /nfs/dbraw/zinc/94/18/43/1197941843.db2.gz CWXQDXRVCWXSPB-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106477009 1197958465 /nfs/dbraw/zinc/95/84/65/1197958465.db2.gz DDCCDSPQKHFTQU-KBAYOESNSA-N 2 0 360.506 0.837 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591665 1198026048 /nfs/dbraw/zinc/02/60/48/1198026048.db2.gz IWOGBDHWMJBYNI-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106588541 1198026955 /nfs/dbraw/zinc/02/69/55/1198026955.db2.gz ZNHIMXMZERXYPZ-UKRRQHHQSA-N 2 0 362.474 0.918 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)CC1 ZINC001273405958 1198231239 /nfs/dbraw/zinc/23/12/39/1198231239.db2.gz XOBDPIKAALLIAE-IRXDYDNUSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H](C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12)[NH+](C)C ZINC001273408772 1198241292 /nfs/dbraw/zinc/24/12/92/1198241292.db2.gz JXXRFULJCSGQFK-USXIJHARSA-N 2 0 362.518 0.918 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273413900 1198268135 /nfs/dbraw/zinc/26/81/35/1198268135.db2.gz VEHOEXJDPWUSIM-LJQANCHMSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001086370021 1198330492 /nfs/dbraw/zinc/33/04/92/1198330492.db2.gz MEYRNKPQFUYSAR-WRQOLXDDSA-N 2 0 366.506 0.058 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13C[NH2+]C[C@H]1COC3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500464 1224488950 /nfs/dbraw/zinc/48/89/50/1224488950.db2.gz BMWBHBZVXDWECR-SYURPWHHSA-N 2 0 372.425 0.053 20 0 FCADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219537343 1224502680 /nfs/dbraw/zinc/50/26/80/1224502680.db2.gz LIJPSKTUONETKF-NZUILWFCSA-N 2 0 370.453 0.816 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538277 1224502690 /nfs/dbraw/zinc/50/26/90/1224502690.db2.gz WXVMQYQWTLSOSX-XOKHGSTOSA-N 3 0 372.469 0.526 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000746257737 1198976658 /nfs/dbraw/zinc/97/66/58/1198976658.db2.gz GCRRROBKPUWTDP-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006329180 1198997935 /nfs/dbraw/zinc/99/79/35/1198997935.db2.gz BJVVNWUHVGNBSQ-IJEWVQPXSA-N 2 0 366.506 0.153 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC[NH+](C)C ZINC001169161984 1199050307 /nfs/dbraw/zinc/05/03/07/1199050307.db2.gz RCZMVVPBSWCGKA-CQSZACIVSA-N 2 0 364.494 0.534 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001169194919 1199052410 /nfs/dbraw/zinc/05/24/10/1199052410.db2.gz FVTSGOPKTADKOT-MELADBBJSA-N 2 0 362.478 0.462 20 0 FCADRP CC[NH+]1CCC(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001169254105 1199058250 /nfs/dbraw/zinc/05/82/50/1199058250.db2.gz QJQVQDASOGSDIS-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219610490 1224527650 /nfs/dbraw/zinc/52/76/50/1224527650.db2.gz OOOVASWAXDMAAN-XZJROXQQSA-N 2 0 368.359 0.507 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370737 1199132697 /nfs/dbraw/zinc/13/26/97/1199132697.db2.gz ZPJKXVHFAPDCTI-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219620180 1224530913 /nfs/dbraw/zinc/53/09/13/1224530913.db2.gz XSYFKRZZNRISQH-TXPKVOOTSA-N 2 0 367.465 0.912 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3[nH]2)C1 ZINC001219696514 1224563618 /nfs/dbraw/zinc/56/36/18/1224563618.db2.gz JSDFZIJEQYZVNV-YJBOKZPZSA-N 2 0 371.485 0.473 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC001219720707 1224573210 /nfs/dbraw/zinc/57/32/10/1224573210.db2.gz PRHDLRCKJGIFEB-RRFJBIMHSA-N 2 0 372.391 0.494 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739506 1224585942 /nfs/dbraw/zinc/58/59/42/1224585942.db2.gz QHIVODHBIXWZEF-ZWKOTPCHSA-N 2 0 370.497 0.203 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219739563 1224586472 /nfs/dbraw/zinc/58/64/72/1224586472.db2.gz RJTNGVZXSMSMGS-KNBMTAEXSA-N 2 0 356.470 0.207 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219737369 1224586749 /nfs/dbraw/zinc/58/67/49/1224586749.db2.gz UONYKXSGWCJGCO-PBHICJAKSA-N 2 0 357.454 0.831 20 0 FCADRP CC1CC(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129386054 1200109218 /nfs/dbraw/zinc/10/92/18/1200109218.db2.gz WTSMDJXJIOYTQN-BACDZXNISA-N 2 0 364.494 0.244 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219749191 1224592553 /nfs/dbraw/zinc/59/25/53/1224592553.db2.gz JSIJQQTVMWBLKX-HOTGVXAUSA-N 2 0 354.458 0.923 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219748764 1224593199 /nfs/dbraw/zinc/59/31/99/1224593199.db2.gz AZJLGBAIYYLTEI-JKSUJKDBSA-N 2 0 354.458 0.781 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765231 1224600881 /nfs/dbraw/zinc/60/08/81/1224600881.db2.gz XLBGFTSDUWDOOS-AQNXPRMDSA-N 2 0 371.529 0.260 20 0 FCADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772159 1224606227 /nfs/dbraw/zinc/60/62/27/1224606227.db2.gz XPYGDZAHPZHNHU-PXNSSMCTSA-N 2 0 360.477 0.916 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219782974 1224611598 /nfs/dbraw/zinc/61/15/98/1224611598.db2.gz OMEHRNRVEGIDMC-SJORKVTESA-N 2 0 354.454 0.747 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1=O ZINC001109648869 1200441659 /nfs/dbraw/zinc/44/16/59/1200441659.db2.gz GWIAJOFUMSNQCA-IKGGRYGDSA-N 2 0 358.486 0.949 20 0 FCADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219789697 1224613483 /nfs/dbraw/zinc/61/34/83/1224613483.db2.gz XFDURLGZCDCTBT-SZMVWBNQSA-N 2 0 373.501 0.457 20 0 FCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109847704 1200560200 /nfs/dbraw/zinc/56/02/00/1200560200.db2.gz CTNOPZVTVSGBQY-NCOADZHNSA-N 2 0 374.489 0.209 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847764 1200560335 /nfs/dbraw/zinc/56/03/35/1200560335.db2.gz GHXZKVRSWWPOJX-LTIDMASMSA-N 2 0 366.506 0.474 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)c2ccco2)CC1 ZINC001219801404 1224621440 /nfs/dbraw/zinc/62/14/40/1224621440.db2.gz ZEMGGOZRWLGGOW-WMLDXEAASA-N 2 0 362.474 0.629 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](CCCCO)CC1)c1ccccc1 ZINC000771764319 1200641993 /nfs/dbraw/zinc/64/19/93/1200641993.db2.gz ZBPNRMDFJJIUKU-LJQANCHMSA-N 2 0 362.518 0.796 20 0 FCADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219815025 1224631759 /nfs/dbraw/zinc/63/17/59/1224631759.db2.gz RBTYLVNLDNWRMK-BBWFWOEESA-N 2 0 366.469 0.749 20 0 FCADRP Cn1cncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563668 1200793568 /nfs/dbraw/zinc/79/35/68/1200793568.db2.gz HJDZHEAOSFUOJG-LPHOPBHVSA-N 2 0 363.506 0.717 20 0 FCADRP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)[nH]1 ZINC001112563575 1200797567 /nfs/dbraw/zinc/79/75/67/1200797567.db2.gz BZTHHZWDGYFJCZ-YJBOKZPZSA-N 2 0 364.494 0.410 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)C1=O ZINC001112564014 1200800584 /nfs/dbraw/zinc/80/05/84/1200800584.db2.gz ZDMXGCHQRSFBGN-FCEWJHQRSA-N 2 0 366.506 0.014 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112567704 1200801961 /nfs/dbraw/zinc/80/19/61/1200801961.db2.gz DCXASCXHALLWOE-DEYYWGMASA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112586269 1200822809 /nfs/dbraw/zinc/82/28/09/1200822809.db2.gz QMRKZMQIFCTJDQ-DEYYWGMASA-N 2 0 367.494 0.128 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787122457 1200864704 /nfs/dbraw/zinc/86/47/04/1200864704.db2.gz IAXPOZOKWGCGGP-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787123097 1200869214 /nfs/dbraw/zinc/86/92/14/1200869214.db2.gz JZUFFDYDUHRIAZ-DOTOQJQBSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787510023 1200886971 /nfs/dbraw/zinc/88/69/71/1200886971.db2.gz XFIDICVXJMWCAT-AWEZNQCLSA-N 2 0 362.478 0.689 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000788460784 1200962127 /nfs/dbraw/zinc/96/21/27/1200962127.db2.gz PZJJKIHRBQMURI-ZWKOTPCHSA-N 2 0 374.485 0.344 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219839014 1224647388 /nfs/dbraw/zinc/64/73/88/1224647388.db2.gz XCRSVUZBELVDIK-FMEYXAORSA-N 2 0 363.433 0.524 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837943 1224647572 /nfs/dbraw/zinc/64/75/72/1224647572.db2.gz NACFVPFULFDUSM-MOXGXCLJSA-N 2 0 359.470 0.602 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391186 1201073752 /nfs/dbraw/zinc/07/37/52/1201073752.db2.gz ZQKSONCXJIGOJK-DNVCBOLYSA-N 2 0 366.506 0.638 20 0 FCADRP COCCOCCN1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](O)C1 ZINC001219853151 1224655385 /nfs/dbraw/zinc/65/53/85/1224655385.db2.gz HLLGOMUAYKPBSS-ZACQAIPSSA-N 2 0 368.478 0.295 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)O1 ZINC001170276621 1201204750 /nfs/dbraw/zinc/20/47/50/1201204750.db2.gz GFJAVRHRMAMKRC-BSDSXHPESA-N 2 0 374.485 0.974 20 0 FCADRP Cn1cnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170395328 1201208836 /nfs/dbraw/zinc/20/88/36/1201208836.db2.gz MVCKZVVGRFZJAK-CUINURIISA-N 2 0 369.510 0.694 20 0 FCADRP C/C=C(\NC=[NH2+])N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389952 1201208931 /nfs/dbraw/zinc/20/89/31/1201208931.db2.gz SLKYPJSSSMPPJS-LHEIDKCRSA-N 3 0 371.526 0.813 20 0 FCADRP Cn1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170392212 1201209184 /nfs/dbraw/zinc/20/91/84/1201209184.db2.gz FERLPZNNYFEWLW-JBJRXJHCSA-N 2 0 369.510 0.694 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703315 1201259504 /nfs/dbraw/zinc/25/95/04/1201259504.db2.gz UMTGXFCPONKLFV-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000793707986 1201261007 /nfs/dbraw/zinc/26/10/07/1201261007.db2.gz HIQWIJXUFSKHFW-MRXNPFEDSA-N 2 0 359.474 0.721 20 0 FCADRP CNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086620092 1201282799 /nfs/dbraw/zinc/28/27/99/1201282799.db2.gz YBCPBIUSTREXHE-BPQIPLTHSA-N 2 0 358.486 0.658 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407921 1201298106 /nfs/dbraw/zinc/29/81/06/1201298106.db2.gz XXBBCAIXWTTXBY-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129684268 1201369952 /nfs/dbraw/zinc/36/99/52/1201369952.db2.gz HBDCWMHNLNALFV-IKGGRYGDSA-N 2 0 362.478 0.283 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892404 1201416384 /nfs/dbraw/zinc/41/63/84/1201416384.db2.gz VIOZZDLCMNJQRC-IXDOHACOSA-N 2 0 364.494 0.385 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129918501 1201439802 /nfs/dbraw/zinc/43/98/02/1201439802.db2.gz ARLKALMZSRWLRQ-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001129918812 1201440659 /nfs/dbraw/zinc/44/06/59/1201440659.db2.gz KAWXMAOIFZIPKF-OAGGEKHMSA-N 2 0 366.510 0.775 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CC1 ZINC001129982246 1201461962 /nfs/dbraw/zinc/46/19/62/1201461962.db2.gz ACCPZXIFMXPSKI-SJORKVTESA-N 2 0 369.473 0.557 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)c1 ZINC001129992164 1201470593 /nfs/dbraw/zinc/47/05/93/1201470593.db2.gz NXRLIZLKMHYBKT-SJORKVTESA-N 2 0 357.462 0.475 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014631 1201471908 /nfs/dbraw/zinc/47/19/08/1201471908.db2.gz WMPAECZUDRYYNJ-XHSDSOJGSA-N 2 0 366.510 0.632 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130034098 1201482219 /nfs/dbraw/zinc/48/22/19/1201482219.db2.gz KCMWXFSHWWHQIV-IMJJTQAJSA-N 2 0 361.450 0.258 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122950 1201511486 /nfs/dbraw/zinc/51/14/86/1201511486.db2.gz CXEMWRYCIXVTSV-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001130232679 1201557870 /nfs/dbraw/zinc/55/78/70/1201557870.db2.gz NJPIEYUCNWXWSL-KBPBESRZSA-N 2 0 364.494 0.633 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001130232740 1201558362 /nfs/dbraw/zinc/55/83/62/1201558362.db2.gz QELZPHJXWDVZQT-OFQRWUPVSA-N 2 0 366.510 0.878 20 0 FCADRP CCOCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298750 1201580121 /nfs/dbraw/zinc/58/01/21/1201580121.db2.gz FHHPLJZCOXFMHI-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001219925807 1224684564 /nfs/dbraw/zinc/68/45/64/1224684564.db2.gz WVNGXDAGWSCHNH-IKGGRYGDSA-N 2 0 374.485 0.554 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001220001267 1224723311 /nfs/dbraw/zinc/72/33/11/1224723311.db2.gz OGVNJBKGQJECRN-ZDUSSCGKSA-N 2 0 373.375 0.987 20 0 FCADRP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)n3cnc(C[NH3+])cc3=N)ccc2O1 ZINC001220020607 1224729908 /nfs/dbraw/zinc/72/99/08/1224729908.db2.gz OZPOBKWDWABFQQ-AWEZNQCLSA-N 2 0 357.414 0.677 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)COC1 ZINC001220023444 1224730318 /nfs/dbraw/zinc/73/03/18/1224730318.db2.gz YXFTULIXTZIQLP-RTBURBONSA-N 2 0 372.513 0.817 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1 ZINC001220023464 1224730711 /nfs/dbraw/zinc/73/07/11/1224730711.db2.gz ZMTIXGYQFRWMFU-QGZVFWFLSA-N 2 0 360.502 0.815 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670116 1202751858 /nfs/dbraw/zinc/75/18/58/1202751858.db2.gz RPBZQCWQHXBVOB-DOTOQJQBSA-N 2 0 360.462 0.752 20 0 FCADRP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712597 1202759460 /nfs/dbraw/zinc/75/94/60/1202759460.db2.gz CCZZVJNCQMYIKT-XYJFISCASA-N 2 0 365.522 0.928 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130713005 1202760088 /nfs/dbraw/zinc/76/00/88/1202760088.db2.gz YFGMEEABEUNUDP-HLLBOEOZSA-N 2 0 369.485 0.630 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130790091 1202798814 /nfs/dbraw/zinc/79/88/14/1202798814.db2.gz HEBOPPNSBVGCHD-QWHCGFSZSA-N 2 0 370.473 0.930 20 0 FCADRP CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817360 1202808095 /nfs/dbraw/zinc/80/80/95/1202808095.db2.gz MVQFHYXZOLMOBU-QLFBSQMISA-N 2 0 364.494 0.982 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003325 1202840829 /nfs/dbraw/zinc/84/08/29/1202840829.db2.gz DBFPFUABVWJVCQ-BZUAXINKSA-N 2 0 369.485 0.630 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCCO ZINC001131041762 1202851183 /nfs/dbraw/zinc/85/11/83/1202851183.db2.gz CQYVOSQZNOPEMT-HZPDHXFCSA-N 2 0 363.506 0.561 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131064832 1202858047 /nfs/dbraw/zinc/85/80/47/1202858047.db2.gz VOWIPRALWADAAE-JFIYKMOQSA-N 2 0 365.522 0.927 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131130536 1202868946 /nfs/dbraw/zinc/86/89/46/1202868946.db2.gz RKVTVIFWAYMYTM-BRWVUGGUSA-N 2 0 365.522 0.805 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131132987 1202870028 /nfs/dbraw/zinc/87/00/28/1202870028.db2.gz WKGGLMGCKLFXIN-ZACQAIPSSA-N 2 0 363.506 0.825 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)c2)CC1 ZINC000808220435 1202876941 /nfs/dbraw/zinc/87/69/41/1202876941.db2.gz GFFPVYSFEDLUJH-IBGZPJMESA-N 2 0 360.502 0.621 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000808774911 1202898073 /nfs/dbraw/zinc/89/80/73/1202898073.db2.gz FUXVMKUBNZCHFC-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001131496256 1202903499 /nfs/dbraw/zinc/90/34/99/1202903499.db2.gz TWYAIXGTNWTWDK-QRVBRYPASA-N 2 0 365.518 0.960 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564731 1202915048 /nfs/dbraw/zinc/91/50/48/1202915048.db2.gz SFLYUDKTAJOKIG-APWZRJJASA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1)C(N)=O ZINC001131582829 1202918199 /nfs/dbraw/zinc/91/81/99/1202918199.db2.gz BPOILOYJSCTAMS-JZXOWHBKSA-N 2 0 368.522 0.578 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131609047 1202920560 /nfs/dbraw/zinc/92/05/60/1202920560.db2.gz XSHZSECPUGSBGM-LMMKCTJWSA-N 2 0 371.522 0.320 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001086699878 1202974687 /nfs/dbraw/zinc/97/46/87/1202974687.db2.gz KYUHBYYGJKYXAG-QKPAOTATSA-N 2 0 366.485 0.962 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126472 1203015509 /nfs/dbraw/zinc/01/55/09/1203015509.db2.gz SZXHEUMVHXJGAX-MSOLQXFVSA-N 2 0 360.502 0.810 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086761439 1203083286 /nfs/dbraw/zinc/08/32/86/1203083286.db2.gz GNVJAAIUXPNIHA-UAGHIWMGSA-N 2 0 360.458 0.912 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001086784943 1203092473 /nfs/dbraw/zinc/09/24/73/1203092473.db2.gz BWDORZWNBRHFHI-JQHSSLGASA-N 2 0 363.506 0.904 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncccc1C(=O)NCCC[NH+](C)C ZINC001170867268 1203104665 /nfs/dbraw/zinc/10/46/65/1203104665.db2.gz BKCNRQVGFITWSQ-HUUCEWRRSA-N 2 0 363.462 0.326 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000817926423 1203126543 /nfs/dbraw/zinc/12/65/43/1203126543.db2.gz IOURIQBXGPJFDV-IAGOWNOFSA-N 2 0 360.502 0.828 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000817926253 1203126754 /nfs/dbraw/zinc/12/67/54/1203126754.db2.gz CDBDBAZAHDUGFN-UHFFFAOYSA-N 2 0 360.502 0.959 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000817926552 1203126761 /nfs/dbraw/zinc/12/67/61/1203126761.db2.gz MXXWPBWAHPOBIA-FUHWJXTLSA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001086842326 1203200935 /nfs/dbraw/zinc/20/09/35/1203200935.db2.gz YJWBMYCCJWVYLL-GOEBONIOSA-N 2 0 363.510 0.705 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000825386709 1203314453 /nfs/dbraw/zinc/31/44/53/1203314453.db2.gz IIHJZTFVFUGVLT-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP O=C([C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001143671073 1203323831 /nfs/dbraw/zinc/32/38/31/1203323831.db2.gz QCSIASKCUHOFOQ-UFYCRDLUSA-N 2 0 373.497 0.945 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090872951 1203326030 /nfs/dbraw/zinc/32/60/30/1203326030.db2.gz WIOVHPJCPUGPSG-NKGKWGDASA-N 2 0 374.485 0.405 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090884268 1203331099 /nfs/dbraw/zinc/33/10/99/1203331099.db2.gz HNDTWEPOARILCW-AYOQOUSVSA-N 2 0 361.486 0.913 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2cccnn2)CC1 ZINC001220209838 1224803952 /nfs/dbraw/zinc/80/39/52/1224803952.db2.gz GXFLRLDBHABQKW-KBPBESRZSA-N 2 0 360.462 0.029 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220275058 1224818502 /nfs/dbraw/zinc/81/85/02/1224818502.db2.gz NMTCUVSVLHAVRL-MSOLQXFVSA-N 2 0 357.458 0.485 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315647 1224827198 /nfs/dbraw/zinc/82/71/98/1224827198.db2.gz GJFNLUCFKHMBEU-SFHLNBCPSA-N 2 0 372.513 0.878 20 0 FCADRP CCC(=O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143972250 1204408524 /nfs/dbraw/zinc/40/85/24/1204408524.db2.gz YEHQDXLMKLQAPK-QMHOLRBPSA-N 2 0 373.494 0.261 20 0 FCADRP CCC(=O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143972251 1204408733 /nfs/dbraw/zinc/40/87/33/1204408733.db2.gz YEHQDXLMKLQAPK-VERFIZQUSA-N 2 0 373.494 0.261 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342583 1224834252 /nfs/dbraw/zinc/83/42/52/1224834252.db2.gz HDWXYSZHKCGGPS-IKGGRYGDSA-N 2 0 364.490 0.167 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001220345412 1224836945 /nfs/dbraw/zinc/83/69/45/1224836945.db2.gz IIVDUYITWWUVLY-JKSUJKDBSA-N 2 0 366.506 0.204 20 0 FCADRP [NH3+]CCC1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000846224950 1204601212 /nfs/dbraw/zinc/60/12/12/1204601212.db2.gz DYKKMYGUGAWYHY-UHFFFAOYSA-N 2 0 365.478 0.723 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCN1 ZINC001220356841 1224841037 /nfs/dbraw/zinc/84/10/37/1224841037.db2.gz FMRDAMPTYXDBDY-IKGGRYGDSA-N 2 0 360.458 0.123 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357458 1224842200 /nfs/dbraw/zinc/84/22/00/1224842200.db2.gz JWYLUNYRHVYLQQ-MOPGFXCFSA-N 2 0 363.502 0.992 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358663 1224842548 /nfs/dbraw/zinc/84/25/48/1224842548.db2.gz WBRSVJMGMSSQKY-LTIDMASMSA-N 2 0 360.458 0.251 20 0 FCADRP COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674113 /nfs/dbraw/zinc/67/41/13/1204674113.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 0 366.458 0.520 20 0 FCADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220386410 1224852526 /nfs/dbraw/zinc/85/25/26/1224852526.db2.gz SBWWSGQOTRZRJX-GJZGRUSLSA-N 2 0 370.538 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091683335 1204821037 /nfs/dbraw/zinc/82/10/37/1204821037.db2.gz LRRDQWJUXUSQHS-VIPLHTEESA-N 2 0 362.518 0.729 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091721263 1204832717 /nfs/dbraw/zinc/83/27/17/1204832717.db2.gz YDWGUKIZLYCBLR-SYNHAJSKSA-N 2 0 362.518 0.920 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734915 1204836084 /nfs/dbraw/zinc/83/60/84/1204836084.db2.gz ALAVANGJCKJIGJ-MDZRGWNJSA-N 2 0 362.518 0.872 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc(NC(N)=[NH2+])cc1)CC2 ZINC001148647526 1204837345 /nfs/dbraw/zinc/83/73/45/1204837345.db2.gz NFKDBIHRVVKKRB-UHFFFAOYSA-N 2 0 372.473 0.809 20 0 FCADRP Cn1nncc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754244 1204844141 /nfs/dbraw/zinc/84/41/41/1204844141.db2.gz KUEFFYLALKXWKU-GJYPPUQNSA-N 2 0 360.506 0.970 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001086855437 1204850494 /nfs/dbraw/zinc/85/04/94/1204850494.db2.gz ZGPRWYOUZGCLBX-LZWOXQAQSA-N 2 0 359.474 0.866 20 0 FCADRP COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086854644 1204852842 /nfs/dbraw/zinc/85/28/42/1204852842.db2.gz IXBQYZWCLQFAEG-LSDHHAIUSA-N 2 0 359.474 0.956 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001086970992 1204870623 /nfs/dbraw/zinc/87/06/23/1204870623.db2.gz RLROKVZXJFXINX-OTWHNJEPSA-N 2 0 368.485 0.994 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001087009442 1204896955 /nfs/dbraw/zinc/89/69/55/1204896955.db2.gz GNOASJVQBJXUJZ-JCGIZDLHSA-N 2 0 371.489 0.190 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087009800 1204897412 /nfs/dbraw/zinc/89/74/12/1204897412.db2.gz YXFNWIBMITYJPK-NZSAHSFTSA-N 2 0 368.485 0.851 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087035287 1204910927 /nfs/dbraw/zinc/91/09/27/1204910927.db2.gz UPVSTXCYUUVDOU-BRWVUGGUSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087059506 1204944524 /nfs/dbraw/zinc/94/45/24/1204944524.db2.gz JESZKQULHQUCDJ-HUUCEWRRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087063097 1204950047 /nfs/dbraw/zinc/95/00/47/1204950047.db2.gz IQZHINZNUWJPLQ-BZUAXINKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087062916 1204950833 /nfs/dbraw/zinc/95/08/33/1204950833.db2.gz ASPPBHAKJSCQSX-DJIMGWMZSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087066719 1204954559 /nfs/dbraw/zinc/95/45/59/1204954559.db2.gz QLRSIOKKZGULFJ-HYVNUMGLSA-N 2 0 371.441 0.290 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083430 1204969970 /nfs/dbraw/zinc/96/99/70/1204969970.db2.gz DZGBCXGUQPAYGE-ZMSDIMECSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083351 1204970475 /nfs/dbraw/zinc/97/04/75/1204970475.db2.gz AOIZNNBOIUDDDD-ZMSDIMECSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083565 1204970495 /nfs/dbraw/zinc/97/04/95/1204970495.db2.gz KVHLMUUWBCNVLF-LZLYRXPVSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087100702 1204997267 /nfs/dbraw/zinc/99/72/67/1204997267.db2.gz AATDWRGTCAXAQF-IAGOWNOFSA-N 2 0 361.490 0.834 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087100731 1204998847 /nfs/dbraw/zinc/99/88/47/1204998847.db2.gz BBWBMZBRQLAAMV-JFIYKMOQSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001087101251 1204999019 /nfs/dbraw/zinc/99/90/19/1204999019.db2.gz ALVWDRNFQHZNGP-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087101611 1204999364 /nfs/dbraw/zinc/99/93/64/1204999364.db2.gz SUDHJMKBJYOHMJ-GDBMZVCRSA-N 2 0 366.462 0.732 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087096304 1205003266 /nfs/dbraw/zinc/00/32/66/1205003266.db2.gz HXUSTHCFQSPUKZ-ZMSDIMECSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087096831 1205004287 /nfs/dbraw/zinc/00/42/87/1205004287.db2.gz GXOHXHHPFFCGSZ-NVXWUHKLSA-N 2 0 361.490 0.469 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087097113 1205005654 /nfs/dbraw/zinc/00/56/54/1205005654.db2.gz WNKAZFLGIVVPKX-RCCFBDPRSA-N 2 0 365.518 0.962 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@]3(C)C2)C1=O ZINC001091823430 1205043938 /nfs/dbraw/zinc/04/39/38/1205043938.db2.gz CIHACGUEEOFTDZ-MDYRTPRTSA-N 2 0 367.453 0.959 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@]3(C)C2)C1=O ZINC001091856460 1205051740 /nfs/dbraw/zinc/05/17/40/1205051740.db2.gz ROMLTTSQZYQTTQ-MDYRTPRTSA-N 2 0 367.453 0.959 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879450 1205062469 /nfs/dbraw/zinc/06/24/69/1205062469.db2.gz KXCNJDRFNNBSCH-POAQFYNOSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001220428997 1224869374 /nfs/dbraw/zinc/86/93/74/1224869374.db2.gz JALVBMJACDFZCP-CVEARBPZSA-N 2 0 363.458 0.616 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953522 1205090015 /nfs/dbraw/zinc/09/00/15/1205090015.db2.gz MPLHXDWDMWTAJQ-MFCZKXCZSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975059 1205105851 /nfs/dbraw/zinc/10/58/51/1205105851.db2.gz FJEIMZOOFABGTA-KKVAFCGZSA-N 2 0 362.518 0.776 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015792 1205114671 /nfs/dbraw/zinc/11/46/71/1205114671.db2.gz WEDGKORQIKXXBA-QINHECLXSA-N 2 0 362.518 0.729 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)NC[C@@H]2COCC[NH2+]2)c2cc3ccccc3o2)C1 ZINC001220431457 1224869873 /nfs/dbraw/zinc/86/98/73/1224869873.db2.gz HGRPSMPRARDGJL-RKVPGOIHSA-N 2 0 358.442 0.612 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220432181 1224870515 /nfs/dbraw/zinc/87/05/15/1224870515.db2.gz ZZOICUFVQPBXFF-MAUKXSAKSA-N 2 0 357.458 0.219 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092088320 1205138883 /nfs/dbraw/zinc/13/88/83/1205138883.db2.gz BNQVAXSUMWEFQB-WDYCEAGBSA-N 2 0 363.506 0.874 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204314 1205196955 /nfs/dbraw/zinc/19/69/55/1205196955.db2.gz YKBSOLLQGSJKKA-LPMFXHHGSA-N 2 0 359.474 0.676 20 0 FCADRP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272583 1205219827 /nfs/dbraw/zinc/21/98/27/1205219827.db2.gz GMXUWXPOBOFQNF-CLCXKQKWSA-N 2 0 359.474 0.717 20 0 FCADRP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001092299725 1205233382 /nfs/dbraw/zinc/23/33/82/1205233382.db2.gz FVTYHLXYVKAVDU-HLIPFELVSA-N 2 0 362.518 0.921 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092295957 1205258190 /nfs/dbraw/zinc/25/81/90/1205258190.db2.gz DHNOAZAFKQCMEV-XLIONFOSSA-N 2 0 358.486 0.888 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3C[NH2+]C[C@@H]3O)nc3ccc(C)cc3n12 ZINC001220456218 1224877924 /nfs/dbraw/zinc/87/79/24/1224877924.db2.gz HKNPDIIUQZYDSH-BBRMVZONSA-N 2 0 368.441 0.371 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@]3(N)CC[NH2+]C3)nc3ccc(C)cc3n12 ZINC001220458264 1224879037 /nfs/dbraw/zinc/87/90/37/1224879037.db2.gz LWLNIDNZASMPRY-LJQANCHMSA-N 2 0 367.457 0.482 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615803 1205329355 /nfs/dbraw/zinc/32/93/55/1205329355.db2.gz PXUCBWBQOCHQMW-IXDOHACOSA-N 2 0 363.506 0.779 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672042 1205335740 /nfs/dbraw/zinc/33/57/40/1205335740.db2.gz UXHHYCWXLMFELZ-BRWVUGGUSA-N 2 0 364.534 0.927 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467188 1224882014 /nfs/dbraw/zinc/88/20/14/1224882014.db2.gz PEMPHWLPSDKWMW-ULQDDVLXSA-N 2 0 368.522 0.491 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773706 1205354159 /nfs/dbraw/zinc/35/41/59/1205354159.db2.gz QUFGTRBWXTWEAP-OWCLPIDISA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)(C)C(=O)N1CCC(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220494271 1224892067 /nfs/dbraw/zinc/89/20/67/1224892067.db2.gz IKPKVVWGNBTCIT-INIZCTEOSA-N 2 0 367.538 0.138 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220519622 1224902006 /nfs/dbraw/zinc/90/20/06/1224902006.db2.gz VDPGOLVRSFXFMS-QGZVFWFLSA-N 2 0 361.486 0.903 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@]2([NH3+])CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC001220523358 1224904409 /nfs/dbraw/zinc/90/44/09/1224904409.db2.gz OFSLFWPPERGDJT-LJQANCHMSA-N 2 0 361.417 0.939 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2[NH2+]CCc3cc(OC)ccc32)CC[NH2+]C1 ZINC001220523525 1224905190 /nfs/dbraw/zinc/90/51/90/1224905190.db2.gz RCSZYZBNKQOROU-QGZVFWFLSA-N 2 0 359.426 0.809 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@]2([NH3+])CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC001220523357 1224905313 /nfs/dbraw/zinc/90/53/13/1224905313.db2.gz OFSLFWPPERGDJT-IBGZPJMESA-N 2 0 361.417 0.939 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937873 1205963108 /nfs/dbraw/zinc/96/31/08/1205963108.db2.gz YRWJHVABQNCTAL-DJIMGWMZSA-N 2 0 360.506 0.791 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133346 1206032514 /nfs/dbraw/zinc/03/25/14/1206032514.db2.gz BZZPPBCSQRXZGD-OAGGEKHMSA-N 2 0 358.490 0.545 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093821340 1206123306 /nfs/dbraw/zinc/12/33/06/1206123306.db2.gz ZYRIGDPEMMFSBD-IXDOHACOSA-N 2 0 362.522 0.977 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001093839392 1206128945 /nfs/dbraw/zinc/12/89/45/1206128945.db2.gz MMCCIERKGQFVKZ-INMHGKMJSA-N 2 0 365.526 0.853 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093910695 1206147237 /nfs/dbraw/zinc/14/72/37/1206147237.db2.gz NWNSZRXQECBRSD-FMKPAKJESA-N 2 0 368.441 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093919619 1206149494 /nfs/dbraw/zinc/14/94/94/1206149494.db2.gz HFKDQKRZXFPDSY-UNEWFSDZSA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094041189 1206173963 /nfs/dbraw/zinc/17/39/63/1206173963.db2.gz ZJIRHOJHVYGFSF-OWCLPIDISA-N 2 0 366.485 0.916 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001094088424 1206181798 /nfs/dbraw/zinc/18/17/98/1206181798.db2.gz SOJMUWFPKBNMMW-OAGGEKHMSA-N 2 0 363.510 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001094169810 1206198428 /nfs/dbraw/zinc/19/84/28/1206198428.db2.gz WOKQTRAABYIFDJ-BRWVUGGUSA-N 2 0 362.518 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094169757 1206198496 /nfs/dbraw/zinc/19/84/96/1206198496.db2.gz SUCDGYCKTAIWDZ-NVXWUHKLSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094219590 1206203288 /nfs/dbraw/zinc/20/32/88/1206203288.db2.gz NJQAZFWSBOMAOR-QLFBSQMISA-N 2 0 363.510 0.564 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001094241666 1206209763 /nfs/dbraw/zinc/20/97/63/1206209763.db2.gz VUYYURWATSXJRX-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)c1nnnn1C ZINC001094240848 1206209828 /nfs/dbraw/zinc/20/98/28/1206209828.db2.gz DQXJFJJEVTZJBG-OWCLPIDISA-N 2 0 363.510 0.831 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001094380872 1206221883 /nfs/dbraw/zinc/22/18/83/1206221883.db2.gz ZGHVWRJBHFQMDJ-GPMSIDNRSA-N 2 0 363.506 0.467 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001094474302 1206233416 /nfs/dbraw/zinc/23/34/16/1206233416.db2.gz UFVIBQIUDLEKMY-KCZRXQPDSA-N 2 0 363.502 0.593 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001178522274 1206358834 /nfs/dbraw/zinc/35/88/34/1206358834.db2.gz KHGTYUYDQMZBDO-LSDHHAIUSA-N 2 0 366.510 0.605 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001178528427 1206359464 /nfs/dbraw/zinc/35/94/64/1206359464.db2.gz YTLJIGMWNZSOFQ-LSDHHAIUSA-N 2 0 369.510 0.439 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731142 1206363643 /nfs/dbraw/zinc/36/36/43/1206363643.db2.gz MEVBQZIFLHNCTD-BARDWOONSA-N 2 0 367.494 0.141 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178854665 1206366830 /nfs/dbraw/zinc/36/68/30/1206366830.db2.gz SEPJRQGILQDKNM-QGZVFWFLSA-N 2 0 371.482 0.599 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)Nc2cc(N3CCN(C)CC3)ncn2)CC1 ZINC001180343371 1206393133 /nfs/dbraw/zinc/39/31/33/1206393133.db2.gz UQMPPIJHTLDMJL-UHFFFAOYSA-N 2 0 361.494 0.193 20 0 FCADRP CC(C)(C)OC(=O)N1CCC(OCC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001180371183 1206394430 /nfs/dbraw/zinc/39/44/30/1206394430.db2.gz XLUJQQNIMMOQFW-UHFFFAOYSA-N 2 0 371.482 0.863 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496219 1206437998 /nfs/dbraw/zinc/43/79/98/1206437998.db2.gz ZVLVHDQSYJZCHT-HUUCEWRRSA-N 2 0 366.506 0.391 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)CC2)C1=O ZINC001183401098 1206452747 /nfs/dbraw/zinc/45/27/47/1206452747.db2.gz SAUCCNUWDNIVGU-YJBOKZPZSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@@H](C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1)[NH+]1CCCC1 ZINC001273502012 1206479061 /nfs/dbraw/zinc/47/90/61/1206479061.db2.gz FPFDEQLAWDNRDD-RDJZCZTQSA-N 2 0 360.502 0.768 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784048 1206485310 /nfs/dbraw/zinc/48/53/10/1206485310.db2.gz PRWAFRRJIGDUGY-KURKYZTESA-N 2 0 358.486 0.611 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784412 1206485469 /nfs/dbraw/zinc/48/54/69/1206485469.db2.gz VKCPDUXFERAPCW-MKXGPGLRSA-N 2 0 361.486 0.530 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510673 1206487775 /nfs/dbraw/zinc/48/77/75/1206487775.db2.gz HPPUKUKJACWLQB-BSDSXHPESA-N 2 0 360.502 0.482 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C ZINC001110385958 1206510765 /nfs/dbraw/zinc/51/07/65/1206510765.db2.gz BYFJLASOUUQRKG-LVQVYYBASA-N 2 0 365.522 0.900 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220643213 1224982899 /nfs/dbraw/zinc/98/28/99/1224982899.db2.gz VNXQVYQOBLEVAJ-NXHRZFHOSA-N 2 0 369.506 0.075 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001220648981 1224988902 /nfs/dbraw/zinc/98/89/02/1224988902.db2.gz PQVYILPLBDKTOM-MRXNPFEDSA-N 2 0 354.458 0.329 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220654275 1224994806 /nfs/dbraw/zinc/99/48/06/1224994806.db2.gz LIUCJELRRGUEEL-LJQANCHMSA-N 2 0 371.529 0.786 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001188107406 1207423180 /nfs/dbraw/zinc/42/31/80/1207423180.db2.gz NTUJFUHWCSHTPV-GVDBMIGSSA-N 2 0 368.497 0.821 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001188970032 1207492688 /nfs/dbraw/zinc/49/26/88/1207492688.db2.gz FBMKCBMSNBDUOR-YESZJQIVSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118257 1207503014 /nfs/dbraw/zinc/50/30/14/1207503014.db2.gz TVWLSVUOAWHQKI-IXDOHACOSA-N 2 0 365.522 0.711 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159591 1207514209 /nfs/dbraw/zinc/51/42/09/1207514209.db2.gz AWQOIZDMDBAHHX-SOUVJXGZSA-N 2 0 364.490 0.302 20 0 FCADRP C[C@H](COCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001189182457 1207515682 /nfs/dbraw/zinc/51/56/82/1207515682.db2.gz VESLTFPLEFRIKE-FGTMMUONSA-N 2 0 369.506 0.029 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820141 1207605993 /nfs/dbraw/zinc/60/59/93/1207605993.db2.gz RNOSXXPYSDIACK-IXDOHACOSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[C@@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802315 1207609712 /nfs/dbraw/zinc/60/97/12/1207609712.db2.gz UBZHEJDWDPVWDQ-IXDOHACOSA-N 2 0 362.518 0.776 20 0 FCADRP CCC(CC)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802350 1207609741 /nfs/dbraw/zinc/60/97/41/1207609741.db2.gz WFEAQKQHQPPHDM-DOTOQJQBSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NCC1CCC1 ZINC001189801815 1207609769 /nfs/dbraw/zinc/60/97/69/1207609769.db2.gz OHGZMVYCOZKGLA-DLBZAZTESA-N 2 0 360.502 0.531 20 0 FCADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802310 1207610558 /nfs/dbraw/zinc/61/05/58/1207610558.db2.gz TVCDKJDWKRLYMB-OWCLPIDISA-N 2 0 362.518 0.918 20 0 FCADRP COc1nccc(CN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189802107 1207610770 /nfs/dbraw/zinc/61/07/70/1207610770.db2.gz SNYJQLXADWOJHQ-GOEBONIOSA-N 2 0 363.462 0.096 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871776 1207614072 /nfs/dbraw/zinc/61/40/72/1207614072.db2.gz QMHVIEUETKVGFX-RCCFBDPRSA-N 2 0 371.522 0.275 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189852119 1207617818 /nfs/dbraw/zinc/61/78/18/1207617818.db2.gz VSXRFXBIYCCUAZ-JKSUJKDBSA-N 2 0 364.490 0.400 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)CC4)C[C@H]2CC1 ZINC001273589628 1207623704 /nfs/dbraw/zinc/62/37/04/1207623704.db2.gz NHQXBBZJGVXYES-CALCHBBNSA-N 2 0 362.518 0.731 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001189891583 1207623806 /nfs/dbraw/zinc/62/38/06/1207623806.db2.gz TYELEAPRHGCWDK-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220682661 1225010805 /nfs/dbraw/zinc/01/08/05/1225010805.db2.gz FZWIYJUBQLPEKU-CFAJVAMVSA-N 2 0 370.457 0.793 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)c1 ZINC001190318691 1207675194 /nfs/dbraw/zinc/67/51/94/1207675194.db2.gz SAQAOKQVGOCYGZ-RBUKOAKNSA-N 2 0 361.486 0.903 20 0 FCADRP CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)Cc1ccccc1 ZINC001190467034 1207691262 /nfs/dbraw/zinc/69/12/62/1207691262.db2.gz KGVFNDDEEAQBLA-IPMKNSEASA-N 2 0 370.497 0.882 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001273659778 1207879210 /nfs/dbraw/zinc/87/92/10/1207879210.db2.gz NCUKCXHUFUSQID-HNNXBMFYSA-N 2 0 362.478 0.183 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001273659779 1207879372 /nfs/dbraw/zinc/87/93/72/1207879372.db2.gz NCUKCXHUFUSQID-OAHLLOKOSA-N 2 0 362.478 0.183 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193755939 1207890602 /nfs/dbraw/zinc/89/06/02/1207890602.db2.gz NPWDEALLPSEINJ-GUDVDZBRSA-N 2 0 360.502 0.754 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC001193902624 1207898073 /nfs/dbraw/zinc/89/80/73/1207898073.db2.gz VGMYTARQNNKBJU-KZNAEPCWSA-N 2 0 363.506 0.536 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC001193902815 1207898343 /nfs/dbraw/zinc/89/83/43/1207898343.db2.gz YEWMHADFGAWRKI-KZNAEPCWSA-N 2 0 363.506 0.481 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O)[NH+](C)C ZINC001193960883 1207901989 /nfs/dbraw/zinc/90/19/89/1207901989.db2.gz GWGOIBTTXJOAPT-QRVBRYPASA-N 2 0 363.502 0.951 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289826 1207934313 /nfs/dbraw/zinc/93/43/13/1207934313.db2.gz PDMGUNYOCLQQJK-CGTJXYLNSA-N 2 0 362.474 0.496 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194542427 1207960815 /nfs/dbraw/zinc/96/08/15/1207960815.db2.gz PTALWRAWDQBKEC-UHFFFAOYSA-N 2 0 358.421 0.709 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207922 1208066020 /nfs/dbraw/zinc/06/60/20/1208066020.db2.gz WFMIGKHHNSEEAP-ARFHVFGLSA-N 2 0 368.522 0.042 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252307 1208069047 /nfs/dbraw/zinc/06/90/47/1208069047.db2.gz XMWYFEPRBOKFHD-RCCFBDPRSA-N 2 0 371.522 0.465 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001196268297 1208069768 /nfs/dbraw/zinc/06/97/68/1208069768.db2.gz FRCQNYPQIOHIMN-FGTMMUONSA-N 2 0 371.522 0.273 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)CC1 ZINC001197320074 1208153345 /nfs/dbraw/zinc/15/33/45/1208153345.db2.gz VARPCVVGXLSUEE-RTBURBONSA-N 2 0 361.486 0.501 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)cc1 ZINC001220743986 1225048824 /nfs/dbraw/zinc/04/88/24/1225048824.db2.gz XFXNMEVHUBLRSP-IBGZPJMESA-N 3 0 372.513 0.627 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@H]1O ZINC001197826442 1208202025 /nfs/dbraw/zinc/20/20/25/1208202025.db2.gz XGEMIXSGMWVTGO-NFTRUMFPSA-N 2 0 361.486 0.829 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC001220743464 1225049013 /nfs/dbraw/zinc/04/90/13/1225049013.db2.gz DDWANQAXGKLPSA-UHFFFAOYSA-N 2 0 360.502 0.724 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001199023946 1208310327 /nfs/dbraw/zinc/31/03/27/1208310327.db2.gz VPDYWDWHWDUOHZ-IAGOWNOFSA-N 2 0 366.506 0.036 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199057458 1208314492 /nfs/dbraw/zinc/31/44/92/1208314492.db2.gz KBJLHHOMDGETMT-RCCFBDPRSA-N 2 0 369.506 0.219 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001273794572 1208374927 /nfs/dbraw/zinc/37/49/27/1208374927.db2.gz HPRXVTDXDZGBDL-FQEVSTJZSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(F)C1=O ZINC001273871296 1208441339 /nfs/dbraw/zinc/44/13/39/1208441339.db2.gz YQGSAYSQQJGIIK-QZTJIDSGSA-N 2 0 370.444 0.277 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)CC3CC3)CC2)O1 ZINC001201230285 1208449312 /nfs/dbraw/zinc/44/93/12/1208449312.db2.gz NQJUTZGBVZLLFZ-RHSMWYFYSA-N 2 0 366.506 0.155 20 0 FCADRP Cc1noc(CCC[NH2+]C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)n1 ZINC001201230770 1208449344 /nfs/dbraw/zinc/44/93/44/1208449344.db2.gz VHQNQXLERUHLRK-CZUORRHYSA-N 2 0 365.478 0.610 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)c1nnnn1C ZINC001489056388 1208616525 /nfs/dbraw/zinc/61/65/25/1208616525.db2.gz UYEPIYLWVTUFAZ-KFWWJZLASA-N 2 0 351.499 0.830 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279169 1208756351 /nfs/dbraw/zinc/75/63/51/1208756351.db2.gz JMXKJFLDESHGMC-GVDBMIGSSA-N 2 0 364.534 0.975 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@H]2CN(Cc3ccccc3)CC[NH2+]2)C[NH2+]C1 ZINC001220827635 1225092530 /nfs/dbraw/zinc/09/25/30/1225092530.db2.gz WEKCGRCVPPQTHU-INIZCTEOSA-N 2 0 372.469 0.387 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001489545964 1208908576 /nfs/dbraw/zinc/90/85/76/1208908576.db2.gz LOXYHBQDQBDZPU-BFYDXBDKSA-N 2 0 356.511 0.256 20 0 FCADRP CCOC(=O)C1(NC(=O)C2(c3ccc(OC)cc3)CC[NH2+]CC2)C[NH2+]C1 ZINC001220851168 1225107689 /nfs/dbraw/zinc/10/76/89/1225107689.db2.gz KMHVQAZSRWZFGZ-UHFFFAOYSA-N 2 0 361.442 0.338 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCO[C@H]1CCCCO1 ZINC001220862331 1225113525 /nfs/dbraw/zinc/11/35/25/1225113525.db2.gz XLRCNPDTALEOIY-JYJNAYRXSA-N 2 0 370.494 0.093 20 0 FCADRP COc1ccccc1C1(CC(=O)NCCN2CCNCC2=O)CC[NH2+]CC1 ZINC001220874416 1225118048 /nfs/dbraw/zinc/11/80/48/1225118048.db2.gz IXRVLFREMSVNIN-UHFFFAOYSA-N 2 0 374.485 0.255 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000852921351 1209578445 /nfs/dbraw/zinc/57/84/45/1209578445.db2.gz HURCRMITEROMHQ-OALUTQOASA-N 2 0 372.513 0.959 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CCC1 ZINC001110664934 1209591993 /nfs/dbraw/zinc/59/19/93/1209591993.db2.gz FMHJZFJUKRGJRI-QXSJWSMHSA-N 2 0 358.490 0.971 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665267 1209592774 /nfs/dbraw/zinc/59/27/74/1209592774.db2.gz PREGOTJMVYGCON-ZACQAIPSSA-N 2 0 366.506 0.345 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001110671187 1209597846 /nfs/dbraw/zinc/59/78/46/1209597846.db2.gz WXHZNUIPGLABBM-TVFCKZIOSA-N 2 0 361.490 0.450 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001220939682 1225149461 /nfs/dbraw/zinc/14/94/61/1225149461.db2.gz RYXBRNWBKHEZMY-QGZVFWFLSA-N 2 0 357.458 0.457 20 0 FCADRP CC1(C)C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001220953134 1225155954 /nfs/dbraw/zinc/15/59/54/1225155954.db2.gz MFYYAAAXXICGNS-PMPSAXMXSA-N 2 0 368.522 0.755 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857244631 1209747730 /nfs/dbraw/zinc/74/77/30/1209747730.db2.gz IYZQAIWVJIBEBV-WIYYLYMNSA-N 2 0 372.513 0.959 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000861538581 1209870208 /nfs/dbraw/zinc/87/02/08/1209870208.db2.gz DCZDYHRXEJODIF-OAHLLOKOSA-N 2 0 361.490 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000861543346 1209870604 /nfs/dbraw/zinc/87/06/04/1209870604.db2.gz ATHUOMKIFVCHOJ-CYBMUJFWSA-N 2 0 363.462 0.711 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683829 1209874311 /nfs/dbraw/zinc/87/43/11/1209874311.db2.gz BDKPTBRHEQJOAA-PKOBYXMFSA-N 2 0 362.474 0.253 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861773991 1209881811 /nfs/dbraw/zinc/88/18/11/1209881811.db2.gz UGEBFNZDNMLESF-WMLDXEAASA-N 2 0 362.474 0.754 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975940 1225169099 /nfs/dbraw/zinc/16/90/99/1225169099.db2.gz BRQZGVNVXUZSPC-OTWHNJEPSA-N 2 0 361.486 0.706 20 0 FCADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000864884342 1209967172 /nfs/dbraw/zinc/96/71/72/1209967172.db2.gz JASHNKNZOWUTOB-KLHDSHLOSA-N 2 0 366.481 0.811 20 0 FCADRP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000866193163 1209993845 /nfs/dbraw/zinc/99/38/45/1209993845.db2.gz LDOGCYCLVNLKOZ-FVQHAEBGSA-N 2 0 370.513 0.925 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221004944 1225181998 /nfs/dbraw/zinc/18/19/98/1225181998.db2.gz SVDXSJPAPQTHAN-BRWVUGGUSA-N 2 0 359.474 0.011 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868228853 1210045272 /nfs/dbraw/zinc/04/52/72/1210045272.db2.gz IJCZFAJRMRKDFR-RDJZCZTQSA-N 2 0 365.522 0.665 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000868286519 1210049738 /nfs/dbraw/zinc/04/97/38/1210049738.db2.gz OHTUSDCUKXXWAF-GJZGRUSLSA-N 2 0 359.474 0.715 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000868287446 1210049988 /nfs/dbraw/zinc/04/99/88/1210049988.db2.gz YVYNDACMKGJCJA-LSDHHAIUSA-N 2 0 359.474 0.715 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2F)CC1 ZINC001221007007 1225183421 /nfs/dbraw/zinc/18/34/21/1225183421.db2.gz RIJKDEVXTDOQAX-BFYDXBDKSA-N 2 0 364.465 0.801 20 0 FCADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994339 1225178609 /nfs/dbraw/zinc/17/86/09/1225178609.db2.gz MSDYFEFKGBSIKJ-MSOLQXFVSA-N 2 0 363.506 0.390 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1)[NH+](C)C ZINC000871461178 1210156282 /nfs/dbraw/zinc/15/62/82/1210156282.db2.gz GVFZFWXYYBDTNP-GVDBMIGSSA-N 2 0 370.538 0.502 20 0 FCADRP O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221031854 1225193223 /nfs/dbraw/zinc/19/32/23/1225193223.db2.gz USRYDXQMFJMJSG-SJORKVTESA-N 2 0 360.433 0.461 20 0 FCADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063047 1225204785 /nfs/dbraw/zinc/20/47/85/1225204785.db2.gz KAFFHOTYTDTMSG-RBUKOAKNSA-N 2 0 359.518 0.518 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001221062637 1225205159 /nfs/dbraw/zinc/20/51/59/1225205159.db2.gz VPDYWDWHWDUOHZ-SJORKVTESA-N 2 0 366.506 0.036 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072386 1225209480 /nfs/dbraw/zinc/20/94/80/1225209480.db2.gz AJCBSIUHJHWJRR-CHXZJSKSSA-N 2 0 369.506 0.532 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780078 1210428754 /nfs/dbraw/zinc/42/87/54/1210428754.db2.gz CLJFDDSYADQAER-IAGOWNOFSA-N 2 0 362.522 0.872 20 0 FCADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1(F)F ZINC000876783634 1210430016 /nfs/dbraw/zinc/43/00/16/1210430016.db2.gz INDRFXSEFXZBLZ-ZIAGYGMSSA-N 2 0 368.432 0.335 20 0 FCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1(F)F ZINC000876981103 1210435785 /nfs/dbraw/zinc/43/57/85/1210435785.db2.gz RLRKXDAFSWTGEL-LALPHHSUSA-N 2 0 368.432 0.365 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000877250099 1210441772 /nfs/dbraw/zinc/44/17/72/1210441772.db2.gz FXCVAPWIMDJVCX-LJQANCHMSA-N 2 0 360.502 0.803 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@](C)(CO)COC)cc2)CC1 ZINC000879160642 1210474046 /nfs/dbraw/zinc/47/40/46/1210474046.db2.gz HVEDAWUAPHMDPJ-IBGZPJMESA-N 2 0 364.490 0.754 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879596660 1210490640 /nfs/dbraw/zinc/49/06/40/1210490640.db2.gz PNGIYHJKIRYDCQ-KRWDZBQOSA-N 2 0 370.538 0.974 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093860 1225219445 /nfs/dbraw/zinc/21/94/45/1225219445.db2.gz ZZNWGPONNHFYMM-QRVBRYPASA-N 2 0 363.502 0.482 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3cc[nH+]cc3)CC1)C2=O ZINC000023848574 1210523115 /nfs/dbraw/zinc/52/31/15/1210523115.db2.gz VXNXHOVFZWWOPH-UHFFFAOYSA-N 2 0 358.446 0.177 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)ccn1 ZINC000882487266 1210623382 /nfs/dbraw/zinc/62/33/82/1210623382.db2.gz UFOIIZZFMQCELV-HOTGVXAUSA-N 2 0 359.474 0.730 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001221113873 1225227187 /nfs/dbraw/zinc/22/71/87/1225227187.db2.gz DZMHCVUIJYCMSK-OXQOHEQNSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883359341 1210663178 /nfs/dbraw/zinc/66/31/78/1210663178.db2.gz DPGICXGQANPZBN-INIZCTEOSA-N 2 0 365.522 0.844 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000883448209 1210668378 /nfs/dbraw/zinc/66/83/78/1210668378.db2.gz XEEZLTLDSJHXRR-OALUTQOASA-N 2 0 374.529 0.723 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CCN(C2CCOCC2)CC1 ZINC000883659139 1210681801 /nfs/dbraw/zinc/68/18/01/1210681801.db2.gz YINWXFMQKOHKDP-UHFFFAOYSA-N 2 0 364.490 0.054 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884212595 1210724230 /nfs/dbraw/zinc/72/42/30/1210724230.db2.gz JDXYXWWHNHOKDW-UHFFFAOYSA-N 2 0 373.501 0.866 20 0 FCADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)cc2C1 ZINC000884243981 1210725518 /nfs/dbraw/zinc/72/55/18/1210725518.db2.gz ULIOXDUOZIQWPI-HNNXBMFYSA-N 2 0 352.442 0.955 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884311837 1210728887 /nfs/dbraw/zinc/72/88/87/1210728887.db2.gz NUFUJKFIOXXVGV-UHFFFAOYSA-N 2 0 360.506 0.201 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000884496054 1210739005 /nfs/dbraw/zinc/73/90/05/1210739005.db2.gz LDSVTDWOMBSXIN-BPQIPLTHSA-N 2 0 374.485 0.342 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000884517802 1210742640 /nfs/dbraw/zinc/74/26/40/1210742640.db2.gz WUYKDHUISPEXBC-QGZVFWFLSA-N 2 0 359.474 0.502 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000884516303 1210743033 /nfs/dbraw/zinc/74/30/33/1210743033.db2.gz HIVIQKWLPDENBP-NVXWUHKLSA-N 2 0 358.486 0.758 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000884518771 1210743430 /nfs/dbraw/zinc/74/34/30/1210743430.db2.gz ZFTTVNLMSTYHPP-ZWKOTPCHSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884532731 1210745791 /nfs/dbraw/zinc/74/57/91/1210745791.db2.gz PBVIWWKIPDCNRY-LMSBXDPUSA-N 2 0 358.486 0.961 20 0 FCADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884577514 1210755895 /nfs/dbraw/zinc/75/58/95/1210755895.db2.gz HAYBTAPVJNUSDS-KSZLIROESA-N 2 0 356.470 0.903 20 0 FCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884597800 1210758772 /nfs/dbraw/zinc/75/87/72/1210758772.db2.gz KGWLYMCKYLJGBP-LJQANCHMSA-N 2 0 368.522 0.439 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884618174 1210763906 /nfs/dbraw/zinc/76/39/06/1210763906.db2.gz YCNUSNRCJJCXPF-KRWDZBQOSA-N 2 0 358.486 0.939 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000884623356 1210764287 /nfs/dbraw/zinc/76/42/87/1210764287.db2.gz ANUUQTSZSOTSDH-KBXCAEBGSA-N 2 0 356.470 0.584 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000884625836 1210765364 /nfs/dbraw/zinc/76/53/64/1210765364.db2.gz UFOGEJHHMBSTSZ-OAHLLOKOSA-N 2 0 368.428 0.725 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626709 1210765928 /nfs/dbraw/zinc/76/59/28/1210765928.db2.gz SBVMXLLGKGFPSR-PMPSAXMXSA-N 2 0 364.490 0.004 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000884629845 1210766532 /nfs/dbraw/zinc/76/65/32/1210766532.db2.gz FUPXKYFDCAGKAE-UBDQQSCGSA-N 2 0 356.470 0.728 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000884630047 1210767890 /nfs/dbraw/zinc/76/78/90/1210767890.db2.gz UYVPCXIHBHYEJB-HOCLYGCPSA-N 2 0 362.474 0.234 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884656318 1210773660 /nfs/dbraw/zinc/77/36/60/1210773660.db2.gz BVUCGSHEULWADD-SHTZXODSSA-N 2 0 368.522 0.626 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000884668535 1210774713 /nfs/dbraw/zinc/77/47/13/1210774713.db2.gz VWLCPRGJIVZVPY-GJZGRUSLSA-N 2 0 368.428 0.767 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000884668935 1210775051 /nfs/dbraw/zinc/77/50/51/1210775051.db2.gz HMDZODKIXVCURP-MRXNPFEDSA-N 2 0 368.522 0.496 20 0 FCADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000884675480 1210776848 /nfs/dbraw/zinc/77/68/48/1210776848.db2.gz FHWZRRJIKDQCRB-SFHVURJKSA-N 2 0 374.485 0.180 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884674169 1210777256 /nfs/dbraw/zinc/77/72/56/1210777256.db2.gz PDQXARBYPLUUIY-WAOWUJCRSA-N 2 0 370.497 0.835 20 0 FCADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884677900 1210777985 /nfs/dbraw/zinc/77/79/85/1210777985.db2.gz JADGBPPFKUDMMA-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688524 1210781636 /nfs/dbraw/zinc/78/16/36/1210781636.db2.gz GQPXDFLVQAMYIZ-BPQIPLTHSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NCC3C[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884693843 1210782337 /nfs/dbraw/zinc/78/23/37/1210782337.db2.gz QTLLYOBHQXSSSS-FXAWDEMLSA-N 2 0 356.470 0.303 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694348 1210784057 /nfs/dbraw/zinc/78/40/57/1210784057.db2.gz JXPOIRBRXKRTGG-ROUUACIJSA-N 2 0 358.486 0.944 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884708794 1210785388 /nfs/dbraw/zinc/78/53/88/1210785388.db2.gz LGWHQTAZANIUMK-DLBZAZTESA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884709706 1210786447 /nfs/dbraw/zinc/78/64/47/1210786447.db2.gz NPSQPOUGHZJQMH-YOEHRIQHSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000884716757 1210787010 /nfs/dbraw/zinc/78/70/10/1210787010.db2.gz ICFRUBFVSPXOEW-ZAWLATJESA-N 2 0 372.513 0.985 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884723176 1210789921 /nfs/dbraw/zinc/78/99/21/1210789921.db2.gz APNWETBCDDTGLT-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884727135 1210790286 /nfs/dbraw/zinc/79/02/86/1210790286.db2.gz MMDDFWZVFBBMEI-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000884727426 1210791008 /nfs/dbraw/zinc/79/10/08/1210791008.db2.gz SOXDVEJYPWVBGN-WCXIOVBPSA-N 2 0 371.485 0.623 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000884783044 1210793933 /nfs/dbraw/zinc/79/39/33/1210793933.db2.gz PDXTZALXYLNECA-UONOGXRCSA-N 2 0 372.460 0.871 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000884779478 1210793952 /nfs/dbraw/zinc/79/39/52/1210793952.db2.gz YHFYRLPNCDSTJX-PBHICJAKSA-N 2 0 359.474 0.358 20 0 FCADRP [NH3+]Cc1ccccc1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148785 1225241124 /nfs/dbraw/zinc/24/11/24/1225241124.db2.gz OXJOIZKCZHIXBU-UHFFFAOYSA-N 2 0 374.466 0.705 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000884790009 1210795617 /nfs/dbraw/zinc/79/56/17/1210795617.db2.gz GRUXWHJBKVVURR-OHTSDLOESA-N 2 0 356.470 0.554 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884810968 1210798356 /nfs/dbraw/zinc/79/83/56/1210798356.db2.gz NCGIUISIWHNPPJ-OKZBNKHCSA-N 2 0 358.486 0.942 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884824274 1210800013 /nfs/dbraw/zinc/80/00/13/1210800013.db2.gz UNUMLYCTJOGNAG-DZKDUJFISA-N 2 0 370.497 0.834 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000884847721 1210801123 /nfs/dbraw/zinc/80/11/23/1210801123.db2.gz IRTVWPXVSBXZDK-QGZVFWFLSA-N 2 0 356.470 0.645 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000884875770 1210802063 /nfs/dbraw/zinc/80/20/63/1210802063.db2.gz LKZPCUKLSDFKMU-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884890360 1210803159 /nfs/dbraw/zinc/80/31/59/1210803159.db2.gz SPPWMWMDCQDBNE-GOSISDBHSA-N 2 0 360.502 0.863 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000884982977 1210806471 /nfs/dbraw/zinc/80/64/71/1210806471.db2.gz LVEGQHKMRRZGLM-GNZRSQJKSA-N 2 0 356.470 0.635 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000884982714 1210806542 /nfs/dbraw/zinc/80/65/42/1210806542.db2.gz ITARNGOSUVSPDU-KSZLIROESA-N 2 0 356.470 0.648 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983095 1210807036 /nfs/dbraw/zinc/80/70/36/1210807036.db2.gz NUPBKOLYNRZZAX-NQIIRXRSSA-N 2 0 370.497 0.898 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007140 1210807713 /nfs/dbraw/zinc/80/77/13/1210807713.db2.gz FZLWVORISHAHKG-YVSFHVDLSA-N 2 0 366.506 0.202 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138045 1210811775 /nfs/dbraw/zinc/81/17/75/1210811775.db2.gz ONNVMCOERNVFOW-MRXNPFEDSA-N 2 0 366.506 0.206 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885148626 1210812604 /nfs/dbraw/zinc/81/26/04/1210812604.db2.gz QLFRRGXEDXWISH-JKSUJKDBSA-N 2 0 366.506 0.250 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152563 1210813078 /nfs/dbraw/zinc/81/30/78/1210813078.db2.gz QYIVMXMVWZFSNF-IRXDYDNUSA-N 2 0 358.486 0.806 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000885156131 1210813322 /nfs/dbraw/zinc/81/33/22/1210813322.db2.gz MPMCMDPOJZDOIQ-FHLIZLRMSA-N 2 0 358.486 0.758 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000885156028 1210813399 /nfs/dbraw/zinc/81/33/99/1210813399.db2.gz JHMZDWSHNCUABA-MOPGFXCFSA-N 2 0 370.497 0.904 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157302 1210813686 /nfs/dbraw/zinc/81/36/86/1210813686.db2.gz KOUSQKCSYSCAMP-QZTJIDSGSA-N 2 0 358.486 0.760 20 0 FCADRP CN1CCC(CNC(=O)C(=O)NCCC(C)(C)[NH3+])([NH+]2CCCCC2)CC1 ZINC000885203730 1210815699 /nfs/dbraw/zinc/81/56/99/1210815699.db2.gz YFWITVCAUQUZGU-UHFFFAOYSA-N 2 0 367.538 0.297 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000885286628 1210817495 /nfs/dbraw/zinc/81/74/95/1210817495.db2.gz ZAOZLLINODTHDK-AWEZNQCLSA-N 2 0 372.460 0.824 20 0 FCADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000886872107 1210838331 /nfs/dbraw/zinc/83/83/31/1210838331.db2.gz JHJIJKUGJZKZOS-LJQANCHMSA-N 2 0 374.489 0.289 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000886993708 1210841937 /nfs/dbraw/zinc/84/19/37/1210841937.db2.gz JTCDMTSINKIGEX-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC001691720312 1210843808 /nfs/dbraw/zinc/84/38/08/1210843808.db2.gz XBYWBADCYWTXSS-KGLIPLIRSA-N 2 0 367.494 0.238 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(CC)([NH+]3CCC3)CC2)C[C@H]1C[NH3+] ZINC000887064850 1210844564 /nfs/dbraw/zinc/84/45/64/1210844564.db2.gz QKHHJFHZWWTEAN-HZPDHXFCSA-N 2 0 366.506 0.286 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)CC[C@@H]21 ZINC000887080731 1210846185 /nfs/dbraw/zinc/84/61/85/1210846185.db2.gz DVACNXDIAUZPKR-FUHIMQAGSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000887091358 1210847098 /nfs/dbraw/zinc/84/70/98/1210847098.db2.gz INNRZKXLLNJVET-BZUAXINKSA-N 2 0 359.474 0.562 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000887091643 1210847130 /nfs/dbraw/zinc/84/71/30/1210847130.db2.gz QQDHDTFULUVGMC-FZCLSBEQSA-N 2 0 371.485 0.705 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000887093627 1210847492 /nfs/dbraw/zinc/84/74/92/1210847492.db2.gz QLTAMDMHSYKRCT-YZVOILCLSA-N 2 0 357.458 0.187 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090887 1210878672 /nfs/dbraw/zinc/87/86/72/1210878672.db2.gz LRTDUPUXWQPXTB-OXFYSEKESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](C(=O)N1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1)[NH+](C)C ZINC001274157826 1210899512 /nfs/dbraw/zinc/89/95/12/1210899512.db2.gz QJSKRPLJIRKCPR-DZGCQCFKSA-N 2 0 362.478 0.182 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[C@H]4CCC[N@H+](C)C4)(C2)C3)CC1 ZINC001274195406 1210908690 /nfs/dbraw/zinc/90/86/90/1210908690.db2.gz PHRZYYCOYWNOTG-APMMTJHUSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001274202583 1210910468 /nfs/dbraw/zinc/91/04/68/1210910468.db2.gz GOTQIHMLBQMDIP-GOSISDBHSA-N 2 0 361.490 0.681 20 0 FCADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719206 1210985227 /nfs/dbraw/zinc/98/52/27/1210985227.db2.gz SUDIZUUHEALMSC-CQSZACIVSA-N 2 0 374.489 0.753 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221193503 1225263616 /nfs/dbraw/zinc/26/36/16/1225263616.db2.gz AZFWJIVAONRHAY-WFASDCNBSA-N 2 0 373.461 0.021 20 0 FCADRP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221202414 1225267606 /nfs/dbraw/zinc/26/76/06/1225267606.db2.gz ZVWWCMLGNFDXJL-AEFFLSMTSA-N 2 0 374.460 0.851 20 0 FCADRP CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275104666 1211175855 /nfs/dbraw/zinc/17/58/55/1211175855.db2.gz XWPMAZJSDCAPBM-FQEVSTJZSA-N 2 0 366.550 0.975 20 0 FCADRP Cc1nn(C)c(C)c1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275161520 1211185325 /nfs/dbraw/zinc/18/53/25/1211185325.db2.gz FYBURVCVDJUBNX-LJQANCHMSA-N 2 0 363.506 0.649 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275171679 1211188269 /nfs/dbraw/zinc/18/82/69/1211188269.db2.gz MPXZKGBKCZRWAF-KRWDZBQOSA-N 2 0 360.506 0.470 20 0 FCADRP COC(CN1C[C@@]2(CCN(CCC[NH+]3CCCCC3)C2)OCC1=O)OC ZINC001275341665 1211217977 /nfs/dbraw/zinc/21/79/77/1211217977.db2.gz QNSUWGLKGSOZBD-IBGZPJMESA-N 2 0 369.506 0.785 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510888 1211252868 /nfs/dbraw/zinc/25/28/68/1211252868.db2.gz AYAYOHFKQRZYSY-BEFAXECRSA-N 2 0 369.506 0.687 20 0 FCADRP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556966 1211256495 /nfs/dbraw/zinc/25/64/95/1211256495.db2.gz RAGAIDAIWVXFEI-LJQANCHMSA-N 2 0 367.490 0.790 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556727 1211256628 /nfs/dbraw/zinc/25/66/28/1211256628.db2.gz OWHNOKWKOCJNDT-LPHOPBHVSA-N 2 0 366.506 0.143 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738440 1211279110 /nfs/dbraw/zinc/27/91/10/1211279110.db2.gz ZFWLUKSSLXMLBN-DNVCBOLYSA-N 2 0 367.490 0.489 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742137 1211279731 /nfs/dbraw/zinc/27/97/31/1211279731.db2.gz BBSFHEMVKBZQTQ-QFBILLFUSA-N 2 0 366.506 0.286 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742139 1211279862 /nfs/dbraw/zinc/27/98/62/1211279862.db2.gz BBSFHEMVKBZQTQ-VQIMIIECSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803947 1211286841 /nfs/dbraw/zinc/28/68/41/1211286841.db2.gz NXCIHFHXURRZBT-QUCCMNQESA-N 2 0 364.534 0.727 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879879 1211304353 /nfs/dbraw/zinc/30/43/53/1211304353.db2.gz QRZLNSVAYAFWFJ-FCEWJHQRSA-N 2 0 367.490 0.583 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)NC[C@H]3CCC(=O)N3)CC2)C1 ZINC001275881343 1211305204 /nfs/dbraw/zinc/30/52/04/1211305204.db2.gz ZDEWWEFCKUTTIS-GVDBMIGSSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879101 1211306146 /nfs/dbraw/zinc/30/61/46/1211306146.db2.gz NNGPJLLXKDHUAL-AZUAARDMSA-N 2 0 364.534 0.585 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4c3OCO4)C2)OCC1=O ZINC001276131007 1211362550 /nfs/dbraw/zinc/36/25/50/1211362550.db2.gz SHYQSBYILLDOJJ-LJQANCHMSA-N 2 0 361.442 0.780 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccn4ccnc34)C2)OCC1=O ZINC001276224278 1211384406 /nfs/dbraw/zinc/38/44/06/1211384406.db2.gz DVYJVSLVFDDMOD-IBGZPJMESA-N 2 0 357.458 0.699 20 0 FCADRP CC[C@H](CCC(=O)OC)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269710 1211399943 /nfs/dbraw/zinc/39/99/43/1211399943.db2.gz OFUCCMPXVGDGOL-APWZRJJASA-N 2 0 369.506 0.831 20 0 FCADRP C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000924478035 1211471298 /nfs/dbraw/zinc/47/12/98/1211471298.db2.gz JNXUNHCSDLWGFJ-DOTOQJQBSA-N 2 0 359.474 0.679 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)cn2)CC1 ZINC000924625359 1211475729 /nfs/dbraw/zinc/47/57/29/1211475729.db2.gz FLHOBWOEBQUZCQ-KRWDZBQOSA-N 2 0 359.474 0.218 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925351842 1211497177 /nfs/dbraw/zinc/49/71/77/1211497177.db2.gz YYSZWWXLDKGZKT-ZACQAIPSSA-N 2 0 364.490 0.771 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925634589 1211505740 /nfs/dbraw/zinc/50/57/40/1211505740.db2.gz OTOIBTTWTUGOED-GFLQDLJJSA-N 2 0 356.514 0.862 20 0 FCADRP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000926127128 1211516752 /nfs/dbraw/zinc/51/67/52/1211516752.db2.gz TUNTXPDJVKUFMF-ROUUACIJSA-N 2 0 359.470 0.638 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926299051 1211528106 /nfs/dbraw/zinc/52/81/06/1211528106.db2.gz PAKBTZDMGYINPB-BPQIPLTHSA-N 2 0 358.486 0.915 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927641368 1211578189 /nfs/dbraw/zinc/57/81/89/1211578189.db2.gz WWGAHXNWEQGXDT-KRWDZBQOSA-N 2 0 368.522 0.774 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](c1ccccc1)c1cccnn1 ZINC001221384384 1225303840 /nfs/dbraw/zinc/30/38/40/1225303840.db2.gz DQHXNJQUDSALIX-WMZOPIPTSA-N 2 0 354.458 0.433 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H](c1ccccc1)c1cccnn1 ZINC001221384381 1225304125 /nfs/dbraw/zinc/30/41/25/1225304125.db2.gz DQHXNJQUDSALIX-FUHWJXTLSA-N 2 0 354.458 0.433 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)CC2)[NH2+]C1 ZINC001221392439 1225305578 /nfs/dbraw/zinc/30/55/78/1225305578.db2.gz WKHZAXZZJXJBIJ-ROUUACIJSA-N 2 0 373.501 0.298 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931487898 1211757583 /nfs/dbraw/zinc/75/75/83/1211757583.db2.gz KNKHVEVAJZJSFR-INIZCTEOSA-N 2 0 366.458 0.601 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000931610844 1211763832 /nfs/dbraw/zinc/76/38/32/1211763832.db2.gz HYXPJOOASCRFOJ-WMLDXEAASA-N 2 0 359.474 0.707 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000931610840 1211763870 /nfs/dbraw/zinc/76/38/70/1211763870.db2.gz HYXPJOOASCRFOJ-RHSMWYFYSA-N 2 0 359.474 0.707 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000931611503 1211763908 /nfs/dbraw/zinc/76/39/08/1211763908.db2.gz VLWLNNXJPKWYDG-UHFFFAOYSA-N 2 0 373.457 0.947 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099987 1211880397 /nfs/dbraw/zinc/88/03/97/1211880397.db2.gz ZCUIGWMFVZKUIB-MYPMTAMASA-N 2 0 365.478 0.023 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)CC1 ZINC001111197317 1211923463 /nfs/dbraw/zinc/92/34/63/1211923463.db2.gz SKHFVPXBTHCUPP-NXHRZFHOSA-N 2 0 361.490 0.715 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111279692 1212224904 /nfs/dbraw/zinc/22/49/04/1212224904.db2.gz HDRIXHGVTBXPGX-VQHPVUNQSA-N 2 0 366.506 0.202 20 0 FCADRP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111281324 1212233021 /nfs/dbraw/zinc/23/30/21/1212233021.db2.gz MZOMTUGEVAMAMC-VQHPVUNQSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000949184655 1212315997 /nfs/dbraw/zinc/31/59/97/1212315997.db2.gz PNBJFAJTNXMDSL-IIAWOOMASA-N 2 0 359.474 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000949197550 1212321272 /nfs/dbraw/zinc/32/12/72/1212321272.db2.gz WOWNBAHLDTVDSQ-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000949203499 1212322508 /nfs/dbraw/zinc/32/25/08/1212322508.db2.gz SBDLYFPLVWMBAK-GDBMZVCRSA-N 2 0 359.474 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949318944 1212353946 /nfs/dbraw/zinc/35/39/46/1212353946.db2.gz DWHCZSPJWTYTMM-DJIMGWMZSA-N 2 0 360.502 0.387 20 0 FCADRP COC[C@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949395657 1212371304 /nfs/dbraw/zinc/37/13/04/1212371304.db2.gz YDURQWRZOINITJ-GVDBMIGSSA-N 2 0 369.506 0.434 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000949960504 1212494654 /nfs/dbraw/zinc/49/46/54/1212494654.db2.gz YRQPGXZUFUEYNA-OIISXLGYSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001007477069 1212499643 /nfs/dbraw/zinc/49/96/43/1212499643.db2.gz KZZOVGXWHNHNJE-GUXCAODWSA-N 2 0 360.502 0.531 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001007479533 1212501546 /nfs/dbraw/zinc/50/15/46/1212501546.db2.gz LKBDOEDDZMSTSW-GUXCAODWSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)CC1 ZINC001007700743 1212557735 /nfs/dbraw/zinc/55/77/35/1212557735.db2.gz CGMWROYXJGZVTK-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001007856531 1212592766 /nfs/dbraw/zinc/59/27/66/1212592766.db2.gz JQIJGZPEFGDVSB-FTRWYGJKSA-N 2 0 360.502 0.531 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620536 1225401011 /nfs/dbraw/zinc/40/10/11/1225401011.db2.gz JQCOVFLWARZKFA-KBAYOESNSA-N 2 0 369.506 0.027 20 0 FCADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824107 1225417635 /nfs/dbraw/zinc/41/76/35/1225417635.db2.gz LQRGBHFUVVUJJY-ICSRJNTNSA-N 2 0 366.550 0.708 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221657082 1225421186 /nfs/dbraw/zinc/42/11/86/1225421186.db2.gz JCAPNRSFLNUQEN-IXDOHACOSA-N 2 0 371.522 0.273 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000954649397 1213098154 /nfs/dbraw/zinc/09/81/54/1213098154.db2.gz QRXCSYYAOYKQOU-QSJFSLAZSA-N 2 0 366.506 0.105 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CC[NH+]([C@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC000957552677 1213320901 /nfs/dbraw/zinc/32/09/01/1213320901.db2.gz WIQNQETZDMTRNP-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC3COC(C)(C)OC3)C2)C1=O ZINC001276345823 1213425007 /nfs/dbraw/zinc/42/50/07/1213425007.db2.gz ICSGKOBHCHTPSI-LJQANCHMSA-N 2 0 367.490 0.788 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960780408 1213934925 /nfs/dbraw/zinc/93/49/25/1213934925.db2.gz FWDUKTJQLSSMIW-YESZJQIVSA-N 2 0 364.490 0.005 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733587 1213994939 /nfs/dbraw/zinc/99/49/39/1213994939.db2.gz UCVIRJUVMWFXSQ-OTWHNJEPSA-N 2 0 368.485 0.814 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NC2CC2)CC3)CC[N@@H+]1C ZINC001016631568 1214024766 /nfs/dbraw/zinc/02/47/66/1214024766.db2.gz VDYVRIGIFANNIB-GVDBMIGSSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N2CCCC2)CC3)CC[N@@H+]1C ZINC001016632030 1214025332 /nfs/dbraw/zinc/02/53/32/1214025332.db2.gz KBNOEHLCTGYGHG-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+](C)C2CCC2)C3)CC[N@@H+]1C ZINC001019071466 1214191975 /nfs/dbraw/zinc/19/19/75/1214191975.db2.gz LAGFLAJAYKJFTN-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001039787817 1214433083 /nfs/dbraw/zinc/43/30/83/1214433083.db2.gz QJLJRQSLRYYHMS-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221968959 1225556757 /nfs/dbraw/zinc/55/67/57/1225556757.db2.gz JJZMVNFIUYBYPP-QZTJIDSGSA-N 2 0 368.522 0.404 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC000963812371 1214856157 /nfs/dbraw/zinc/85/61/57/1214856157.db2.gz WBICKFOBAQDCOF-PMPSAXMXSA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@@H](C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC000965424931 1215064075 /nfs/dbraw/zinc/06/40/75/1215064075.db2.gz RDSYLPQJAPPVDB-OAGGEKHMSA-N 2 0 366.506 0.107 20 0 FCADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000967994208 1215269242 /nfs/dbraw/zinc/26/92/42/1215269242.db2.gz UCMCBSPITDDNJZ-OLMNPRSZSA-N 2 0 362.518 0.728 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)c1 ZINC001222042799 1225587836 /nfs/dbraw/zinc/58/78/36/1225587836.db2.gz LVOOZEFIHVIBMA-RTBURBONSA-N 2 0 361.486 0.903 20 0 FCADRP O=C1NCC[C@@]12C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222527659 1225630998 /nfs/dbraw/zinc/63/09/98/1225630998.db2.gz OGPABEDMBIUIDU-OAQYLSRUSA-N 3 0 365.481 0.656 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055646851 1215897288 /nfs/dbraw/zinc/89/72/88/1215897288.db2.gz HJUAMYCUKNPCFG-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056118036 1215950162 /nfs/dbraw/zinc/95/01/62/1215950162.db2.gz UTAJIQRPEQWGRR-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC001222646447 1225642631 /nfs/dbraw/zinc/64/26/31/1225642631.db2.gz AXIVHWYMQUOJQC-IAGOWNOFSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342867 1216037429 /nfs/dbraw/zinc/03/74/29/1216037429.db2.gz QJKNTELQFIOCMT-QYZOEREBSA-N 2 0 370.497 0.753 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693896 1225646412 /nfs/dbraw/zinc/64/64/12/1225646412.db2.gz HACNXQGESJZCCV-QYZOEREBSA-N 2 0 365.518 0.914 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001000494517 1216072716 /nfs/dbraw/zinc/07/27/16/1216072716.db2.gz PRKWMFMUJGPAQI-YVSFHVDLSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001000693104 1216105969 /nfs/dbraw/zinc/10/59/69/1216105969.db2.gz NHNQEZDIPHWCSW-IPELMVKDSA-N 2 0 365.518 0.862 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001000702669 1216108838 /nfs/dbraw/zinc/10/88/38/1216108838.db2.gz WWGWJDYFOWTDIN-GDBMZVCRSA-N 2 0 362.474 0.224 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001001419179 1216194988 /nfs/dbraw/zinc/19/49/88/1216194988.db2.gz PQYFVDYXDSLMIE-DJIMGWMZSA-N 2 0 360.506 0.934 20 0 FCADRP O=C([C@H]1CCCc2nccn21)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222892358 1225663445 /nfs/dbraw/zinc/66/34/45/1225663445.db2.gz MQFDQIFQEHTAOI-ZACQAIPSSA-N 2 0 362.474 0.692 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C2CC2)CC3)CC[N@@H+]1C ZINC001050523392 1216329635 /nfs/dbraw/zinc/32/96/35/1216329635.db2.gz BOTGPGRTKURTRD-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001050523686 1216331282 /nfs/dbraw/zinc/33/12/82/1216331282.db2.gz GKTRPYJHRMXADX-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1)C1CCC1 ZINC001222897645 1225664385 /nfs/dbraw/zinc/66/43/85/1225664385.db2.gz HNMOPVMWYDPTGR-QAPCUYQASA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001057746054 1216536929 /nfs/dbraw/zinc/53/69/29/1216536929.db2.gz LTMGBKVYIIUVCY-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC3(CN(C(=O)CC[NH+](C)C)C3)O2)CC[N@@H+]1C ZINC001068579448 1216747036 /nfs/dbraw/zinc/74/70/36/1216747036.db2.gz PESTXWAEYOOEDV-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC001223242477 1225693135 /nfs/dbraw/zinc/69/31/35/1225693135.db2.gz SCXSNSWFXYDESN-HHARLNAUSA-N 2 0 365.522 0.377 20 0 FCADRP CC(C)N(C)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223570461 1225716791 /nfs/dbraw/zinc/71/67/91/1225716791.db2.gz PBSVYVBLHMCQDR-NVXWUHKLSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N(C)C4CC4)C3)C2)CC[N@@H+]1C ZINC001041295995 1217270776 /nfs/dbraw/zinc/27/07/76/1217270776.db2.gz BOXAAFFBXRUYLX-WRWLIDTKSA-N 2 0 362.518 0.872 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001223763740 1225733921 /nfs/dbraw/zinc/73/39/21/1225733921.db2.gz JNRGROKUKFSWKQ-RYRKJORJSA-N 2 0 369.506 0.027 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223984773 1225750755 /nfs/dbraw/zinc/75/07/55/1225750755.db2.gz IEXRAESNHHTRKC-SJORKVTESA-N 2 0 367.538 0.959 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959470 1225769245 /nfs/dbraw/zinc/76/92/45/1225769245.db2.gz RGBWKVDQRHRVIZ-FQEVSTJZSA-N 2 0 366.550 0.709 20 0 FCADRP CC(C)[C@@H](C)NC(=O)CN1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224298001 1225771306 /nfs/dbraw/zinc/77/13/06/1225771306.db2.gz KIPJTKVSFRNKOS-ZACQAIPSSA-N 2 0 361.490 0.967 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccnn2CC[NH+](C)C)cc1 ZINC000900177083 1217967252 /nfs/dbraw/zinc/96/72/52/1217967252.db2.gz KLOFLBGRTVFUKY-UHFFFAOYSA-N 2 0 372.473 0.988 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000900672178 1218022337 /nfs/dbraw/zinc/02/23/37/1218022337.db2.gz AISNIWHTRPBPPQ-SFHVURJKSA-N 2 0 365.566 0.687 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001225379030 1225809098 /nfs/dbraw/zinc/80/90/98/1225809098.db2.gz WBEXUXWPRMQCOX-BRWVUGGUSA-N 2 0 366.506 0.393 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC001048825270 1218320969 /nfs/dbraw/zinc/32/09/69/1218320969.db2.gz NWHSBLJJDJVWBQ-HCXYKTFWSA-N 2 0 365.518 0.506 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829037 1218323073 /nfs/dbraw/zinc/32/30/73/1218323073.db2.gz GCCLYFKPJBQJSW-HSFUPAIVSA-N 2 0 362.518 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048923489 1218341745 /nfs/dbraw/zinc/34/17/45/1218341745.db2.gz RYGYMBOPNYEALP-YVSFHVDLSA-N 2 0 368.522 0.087 20 0 FCADRP Cn1nncc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001277071275 1225822346 /nfs/dbraw/zinc/82/23/46/1225822346.db2.gz TUSKNFPWCQMVSV-LJQANCHMSA-N 2 0 354.458 0.867 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000903778556 1218523994 /nfs/dbraw/zinc/52/39/94/1218523994.db2.gz PUMJXTKFGAZWHB-INIZCTEOSA-N 2 0 361.490 0.998 20 0 FCADRP C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000903908922 1218561108 /nfs/dbraw/zinc/56/11/08/1218561108.db2.gz BELSYBWVSSKXFZ-ZHALLVOQSA-N 2 0 361.538 0.660 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCCNC2=O)n1 ZINC001097095207 1218688139 /nfs/dbraw/zinc/68/81/39/1218688139.db2.gz FETXDKGUWNGSOU-SIXLDLHFSA-N 2 0 374.489 0.058 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001097779148 1218845355 /nfs/dbraw/zinc/84/53/55/1218845355.db2.gz IDBNRZYGOCRXBR-HPBDAGMYSA-N 2 0 362.518 0.966 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C1CCC1 ZINC001226819206 1225855332 /nfs/dbraw/zinc/85/53/32/1225855332.db2.gz WZJBSWXWKKYSNA-HZPDHXFCSA-N 2 0 364.490 0.637 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001227150156 1225864849 /nfs/dbraw/zinc/86/48/49/1225864849.db2.gz KYCQWODKOWYFAJ-BRWVUGGUSA-N 2 0 365.522 0.991 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001055357327 1219033164 /nfs/dbraw/zinc/03/31/64/1219033164.db2.gz CSQDVHNXRCIPMU-WCXIOVBPSA-N 2 0 362.518 0.585 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578925 1219085736 /nfs/dbraw/zinc/08/57/36/1219085736.db2.gz ZXYSNEIAMKHGAW-QAPCUYQASA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804051825 1219104188 /nfs/dbraw/zinc/10/41/88/1219104188.db2.gz VUVNAEAGPCRINK-BRWVUGGUSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804057448 1219111145 /nfs/dbraw/zinc/11/11/45/1219111145.db2.gz PQRRJDAGEDFUHW-HOTGVXAUSA-N 2 0 363.462 0.067 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804058335 1219113969 /nfs/dbraw/zinc/11/39/69/1219113969.db2.gz ZVLLLJZMCCYPEQ-BRWVUGGUSA-N 2 0 366.506 0.347 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059497 1219114561 /nfs/dbraw/zinc/11/45/61/1219114561.db2.gz IUNNTWTYGONNEJ-ULQDDVLXSA-N 2 0 366.506 0.299 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804059711 1219115542 /nfs/dbraw/zinc/11/55/42/1219115542.db2.gz JYZBCFNQMOUFFB-BRWVUGGUSA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000804062743 1219117788 /nfs/dbraw/zinc/11/77/88/1219117788.db2.gz KNKZNQQQCNCRAN-XHSDSOJGSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070068047 1219132092 /nfs/dbraw/zinc/13/20/92/1219132092.db2.gz CPPBIUFDNGAECR-SJORKVTESA-N 2 0 364.494 0.122 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077603 1219145113 /nfs/dbraw/zinc/14/51/13/1219145113.db2.gz KMMNNJSBQBZSPH-SJORKVTESA-N 2 0 358.490 0.906 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070132558 1219207046 /nfs/dbraw/zinc/20/70/46/1219207046.db2.gz IRJOKYKYWUQFDS-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070158638 1219245919 /nfs/dbraw/zinc/24/59/19/1219245919.db2.gz TWOHHHWERVDQLE-ILXRZTDVSA-N 2 0 368.432 0.759 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070309214 1219366664 /nfs/dbraw/zinc/36/66/64/1219366664.db2.gz WKRMOBQYJCOCQM-IKGGRYGDSA-N 2 0 364.494 0.267 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326966 1219377579 /nfs/dbraw/zinc/37/75/79/1219377579.db2.gz LVBCZDWWBAHKFQ-KURKYZTESA-N 2 0 354.458 0.772 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)C12CC[NH+](CC1)C2 ZINC001070381752 1219407277 /nfs/dbraw/zinc/40/72/77/1219407277.db2.gz TXWKJNLLFXUSBB-WBVHZDCISA-N 2 0 366.481 0.527 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070525001 1219452858 /nfs/dbraw/zinc/45/28/58/1219452858.db2.gz OADRZOZXVYPYFG-XYJFISCASA-N 2 0 363.506 0.418 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913342 1219566555 /nfs/dbraw/zinc/56/65/55/1219566555.db2.gz IXYDLVCQUFSIET-ZACQAIPSSA-N 2 0 364.490 0.987 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001228260386 1225906583 /nfs/dbraw/zinc/90/65/83/1225906583.db2.gz AGQXHGKQGUDUPF-GVDBMIGSSA-N 2 0 368.522 0.640 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001071057698 1219596796 /nfs/dbraw/zinc/59/67/96/1219596796.db2.gz ANSDMCSXUFWAFS-LHHMISFZSA-N 2 0 366.506 0.188 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCF)CC1 ZINC001071104283 1219607932 /nfs/dbraw/zinc/60/79/32/1219607932.db2.gz QCWCWIRPITZTTB-JQHSSLGASA-N 2 0 371.497 0.910 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001071104235 1219608000 /nfs/dbraw/zinc/60/80/00/1219608000.db2.gz NEGVAWHCEVDYPE-NUJGCVRESA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCNC(=O)CC2)C3)CC[N@@H+]1C ZINC001072752364 1219622247 /nfs/dbraw/zinc/62/22/47/1219622247.db2.gz HHVNJPDWGULSLR-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)CCCO2)CC[N@@H+]1C ZINC001073610909 1219673008 /nfs/dbraw/zinc/67/30/08/1219673008.db2.gz HTSJPLVZSCNYIW-KBAYOESNSA-N 2 0 363.506 0.510 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+](C)C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001074363671 1219686820 /nfs/dbraw/zinc/68/68/20/1219686820.db2.gz PYOXSIRSSGNYJI-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074630163 1219708229 /nfs/dbraw/zinc/70/82/29/1219708229.db2.gz CWDZMVYTROEWNR-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(C2CCC2)C1=O ZINC001098401806 1219773936 /nfs/dbraw/zinc/77/39/36/1219773936.db2.gz PXCGXCCCCYKJJM-BDXSIMOUSA-N 2 0 360.502 0.957 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCF)nn3)C2)O1 ZINC001098685961 1219810613 /nfs/dbraw/zinc/81/06/13/1219810613.db2.gz VVRDMJVMOOPHTQ-VNQPRFMTSA-N 2 0 368.457 0.220 20 0 FCADRP CC(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001098685969 1219810793 /nfs/dbraw/zinc/81/07/93/1219810793.db2.gz WAVMAZVMIOIKQL-HYVNUMGLSA-N 2 0 364.494 0.516 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001228406459 1225919428 /nfs/dbraw/zinc/91/94/28/1225919428.db2.gz HNOVWLFEXXYOCN-IIDMSEBBSA-N 2 0 366.506 0.739 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CC1 ZINC001099010544 1219888814 /nfs/dbraw/zinc/88/88/14/1219888814.db2.gz HYLYNUPWYXQEMX-DOXZYTNZSA-N 2 0 362.474 0.104 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099011103 1219888874 /nfs/dbraw/zinc/88/88/74/1219888874.db2.gz URBLWLAEGDDVIJ-ZWOKBUDYSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159892 1219935337 /nfs/dbraw/zinc/93/53/37/1219935337.db2.gz LMIAALZMSBYIGX-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cncn3)C2)CC[N@@H+]1C ZINC001099254853 1219957831 /nfs/dbraw/zinc/95/78/31/1219957831.db2.gz XWYDBCKDGWBEJT-AAVRWANBSA-N 2 0 374.411 0.597 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001099446002 1219999269 /nfs/dbraw/zinc/99/92/69/1219999269.db2.gz GJSRGVKDKWPABV-KSSFIOAISA-N 2 0 361.494 0.413 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228603970 1225935141 /nfs/dbraw/zinc/93/51/41/1225935141.db2.gz VPAXKONKTYKNDL-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)C1 ZINC001099496089 1220014798 /nfs/dbraw/zinc/01/47/98/1220014798.db2.gz ADSDOBLKQUEPMO-VKJFTORMSA-N 2 0 361.494 0.270 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001099525709 1220023534 /nfs/dbraw/zinc/02/35/34/1220023534.db2.gz RTBBJYOSEOCYLL-YRNRMSPPSA-N 2 0 360.502 0.531 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342756 1220295594 /nfs/dbraw/zinc/29/55/94/1220295594.db2.gz MANTWSYDKYYODT-APWZRJJASA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@]2(C)C1 ZINC001101351291 1220298503 /nfs/dbraw/zinc/29/85/03/1220298503.db2.gz BLOPRAFYOLDMAK-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431210 1220339523 /nfs/dbraw/zinc/33/95/23/1220339523.db2.gz DQPIZUWJAVZAHM-FCEWJHQRSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429847 1220339578 /nfs/dbraw/zinc/33/95/78/1220339578.db2.gz CBSVMPAXRNWYCK-HLIPFELVSA-N 2 0 364.534 0.975 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431411 1220341890 /nfs/dbraw/zinc/34/18/90/1220341890.db2.gz NFJJODDLFJYKEN-APWZRJJASA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459682 1220357875 /nfs/dbraw/zinc/35/78/75/1220357875.db2.gz OXXQLOLNMRSPFE-QKLQHJQFSA-N 2 0 362.518 0.635 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460432 1220359498 /nfs/dbraw/zinc/35/94/98/1220359498.db2.gz FGVXMMANGNVIRS-YRNRMSPPSA-N 2 0 364.534 0.881 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461871 1220360117 /nfs/dbraw/zinc/36/01/17/1220360117.db2.gz XCPLAQWBZPLPMP-HBFSDRIKSA-N 2 0 367.534 0.896 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976346 1220449595 /nfs/dbraw/zinc/44/95/95/1220449595.db2.gz YNUFNHUPJMKHPY-NXHRZFHOSA-N 2 0 364.534 0.929 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086067 1220491019 /nfs/dbraw/zinc/49/10/19/1220491019.db2.gz OMUWOGRTOYYXEL-BRWVUGGUSA-N 2 0 371.522 0.036 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229038382 1225973730 /nfs/dbraw/zinc/97/37/30/1225973730.db2.gz SILUQKVFIWPYOJ-HZPDHXFCSA-N 2 0 364.494 0.164 20 0 FCADRP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1)C1CC1 ZINC001102290652 1220575978 /nfs/dbraw/zinc/57/59/78/1220575978.db2.gz ORQZELHSVNETGA-HLLBOEOZSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290921 1220576374 /nfs/dbraw/zinc/57/63/74/1220576374.db2.gz YYMZBOXQXMROGY-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366452 1220594222 /nfs/dbraw/zinc/59/42/22/1220594222.db2.gz FWGDFJSUYYBGFW-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370345 1220597344 /nfs/dbraw/zinc/59/73/44/1220597344.db2.gz XQBXSPUHXYFBIY-GVDBMIGSSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H](COCC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102384956 1220603738 /nfs/dbraw/zinc/60/37/38/1220603738.db2.gz KWGKDENTSLRPAV-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384971 1220604202 /nfs/dbraw/zinc/60/42/02/1220604202.db2.gz LOABKZDLTACMJU-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488607 1220652294 /nfs/dbraw/zinc/65/22/94/1220652294.db2.gz AUPRSZCBISOYEK-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488708 1220652366 /nfs/dbraw/zinc/65/23/66/1220652366.db2.gz FWZLEZHHIBTFJM-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489113 1220652617 /nfs/dbraw/zinc/65/26/17/1220652617.db2.gz TWZFVOBZVIVIRB-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102496312 1220657240 /nfs/dbraw/zinc/65/72/40/1220657240.db2.gz PUUFRRMBYXLCFY-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001102504371 1220663684 /nfs/dbraw/zinc/66/36/84/1220663684.db2.gz MSTAXVVMXNRWOD-VQIMIIECSA-N 2 0 367.534 0.801 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102506777 1220667385 /nfs/dbraw/zinc/66/73/85/1220667385.db2.gz CAHKGAYATPCTMI-JXXFODFXSA-N 2 0 360.502 0.894 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513322 1220672218 /nfs/dbraw/zinc/67/22/18/1220672218.db2.gz FUMLSYUJSCGNEO-RHSMWYFYSA-N 2 0 366.510 0.157 20 0 FCADRP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102514378 1220674013 /nfs/dbraw/zinc/67/40/13/1220674013.db2.gz VIRXGFWFBKKSSA-HLLBOEOZSA-N 2 0 368.522 0.163 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524537 1220680392 /nfs/dbraw/zinc/68/03/92/1220680392.db2.gz KORPGCWTWLMMHD-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C ZINC001102580981 1220702292 /nfs/dbraw/zinc/70/22/92/1220702292.db2.gz TZRQMWGZGRGZOU-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598976 1220721855 /nfs/dbraw/zinc/72/18/55/1220721855.db2.gz ISGKNRNTZORFNA-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783075 1220781343 /nfs/dbraw/zinc/78/13/43/1220781343.db2.gz UUEMGVJTBXHORF-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060594 1220826328 /nfs/dbraw/zinc/82/63/28/1220826328.db2.gz UUGDYHTUDTVHHU-KFWWJZLASA-N 2 0 367.494 0.130 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001103140003 1220839734 /nfs/dbraw/zinc/83/97/34/1220839734.db2.gz IMKWBKWOJGWNHZ-KBAYOESNSA-N 2 0 370.538 0.554 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147991 1220840789 /nfs/dbraw/zinc/84/07/89/1220840789.db2.gz JIZVRJDJYBQYJA-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156406 1220841727 /nfs/dbraw/zinc/84/17/27/1220841727.db2.gz BFVCPEBARSSOMU-RBSFLKMASA-N 2 0 366.506 0.596 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185772 1220847432 /nfs/dbraw/zinc/84/74/32/1220847432.db2.gz PMPPDFYUSPSMKI-IAGOWNOFSA-N 2 0 360.506 0.981 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185828 1220847602 /nfs/dbraw/zinc/84/76/02/1220847602.db2.gz SKLWJVXNFXOCNK-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001103267988 1220858934 /nfs/dbraw/zinc/85/89/34/1220858934.db2.gz MPKJFWORGNTAAL-BHIYHBOVSA-N 2 0 367.534 0.944 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378811 1220873804 /nfs/dbraw/zinc/87/38/04/1220873804.db2.gz LMZXPOXYMKJFKU-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380160 1220873984 /nfs/dbraw/zinc/87/39/84/1220873984.db2.gz HIHZVBQFKIVWPO-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398515 1220877337 /nfs/dbraw/zinc/87/73/37/1220877337.db2.gz WHDRIGBYDKJETK-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103434149 1220882696 /nfs/dbraw/zinc/88/26/96/1220882696.db2.gz ROMFDQRJMROLCW-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550190 1220899409 /nfs/dbraw/zinc/89/94/09/1220899409.db2.gz DDWOAURHEFMIAB-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662816 1220932067 /nfs/dbraw/zinc/93/20/67/1220932067.db2.gz SUNAYRGDFLVICN-OAGGEKHMSA-N 2 0 366.506 0.598 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999700 1220996851 /nfs/dbraw/zinc/99/68/51/1220996851.db2.gz HXUVMECTHDCQGL-NXHRZFHOSA-N 2 0 368.522 0.308 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000018 1220997178 /nfs/dbraw/zinc/99/71/78/1220997178.db2.gz SISHHLGWJUFSRX-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)Cc1ccccc1)C2 ZINC001111499511 1221023909 /nfs/dbraw/zinc/02/39/09/1221023909.db2.gz KLINERNLBKBZSN-MKXGPGLRSA-N 2 0 361.486 0.847 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503119 1226014781 /nfs/dbraw/zinc/01/47/81/1226014781.db2.gz FLKGYNWPXPSQQG-RRFJBIMHSA-N 2 0 369.510 0.579 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811686 1221123661 /nfs/dbraw/zinc/12/36/61/1221123661.db2.gz KZDULUBZFDFAHA-UDHYTOICSA-N 2 0 363.502 0.857 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917190 1221166399 /nfs/dbraw/zinc/16/63/99/1221166399.db2.gz PWANHWSKDKYUFM-GMBSWORKSA-N 2 0 366.506 0.332 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916572 1221166759 /nfs/dbraw/zinc/16/67/59/1221166759.db2.gz AXBORISANDMHOT-BXWFABGCSA-N 2 0 369.506 0.075 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C2 ZINC001111925608 1221171311 /nfs/dbraw/zinc/17/13/11/1221171311.db2.gz BAHMGSHQLKTYJI-DEYYWGMASA-N 2 0 367.494 0.143 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)COCCOC)C2 ZINC001111927711 1221174142 /nfs/dbraw/zinc/17/41/42/1221174142.db2.gz KNPOJHVCHMCTEY-SCTDSRPQSA-N 2 0 371.522 0.323 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)ncn1 ZINC001111939918 1221179461 /nfs/dbraw/zinc/17/94/61/1221179461.db2.gz ZXGYBPYAIMYWRB-LPHOPBHVSA-N 2 0 361.490 0.834 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939594 1221179514 /nfs/dbraw/zinc/17/95/14/1221179514.db2.gz IRJKTLAOIZZGEZ-BXWFABGCSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111939605 1221179939 /nfs/dbraw/zinc/17/99/39/1221179939.db2.gz IZDXSYKBSNZRLM-LPHOPBHVSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947426 1221181614 /nfs/dbraw/zinc/18/16/14/1221181614.db2.gz IPWGBCTXDKPOBH-DEYYWGMASA-N 2 0 367.494 0.272 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983537 1221193673 /nfs/dbraw/zinc/19/36/73/1221193673.db2.gz MTDVHHDATFVSLP-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001112004836 1221198672 /nfs/dbraw/zinc/19/86/72/1221198672.db2.gz NBMGBKMIVLCCCD-SCTDSRPQSA-N 2 0 363.506 0.555 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001112004835 1221198828 /nfs/dbraw/zinc/19/88/28/1221198828.db2.gz NBMGBKMIVLCCCD-LNLFQRSKSA-N 2 0 363.506 0.555 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112285156 1221230341 /nfs/dbraw/zinc/23/03/41/1221230341.db2.gz OAUIQNUDZUZKDP-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001112291829 1221232813 /nfs/dbraw/zinc/23/28/13/1221232813.db2.gz ZYQQKLUSIROOGR-BXWFABGCSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001112401654 1221252483 /nfs/dbraw/zinc/25/24/83/1221252483.db2.gz QPJINPVBSUDKSF-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP CN(CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1cc[nH+]cc1 ZINC001112440262 1221259297 /nfs/dbraw/zinc/25/92/97/1221259297.db2.gz QRFZGWROJKJQKX-KXBFYZLASA-N 2 0 359.474 0.612 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447138 1221261259 /nfs/dbraw/zinc/26/12/59/1221261259.db2.gz GDANOTYKAXXTQA-SCTDSRPQSA-N 2 0 365.518 0.840 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229853803 1226037406 /nfs/dbraw/zinc/03/74/06/1226037406.db2.gz VOIKSRTXTVWRNT-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229800201 1226035983 /nfs/dbraw/zinc/03/59/83/1226035983.db2.gz AXDVSEJOZQCRLQ-HUUCEWRRSA-N 2 0 367.494 0.287 20 0 FCADRP CC(C)[C@@H]1CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117152230 1221483077 /nfs/dbraw/zinc/48/30/77/1221483077.db2.gz HWYULSSNLXTUHY-SFHVURJKSA-N 2 0 373.501 0.967 20 0 FCADRP CC1=CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001117152079 1221483332 /nfs/dbraw/zinc/48/33/32/1221483332.db2.gz DIANBVQTHPBJCN-UHFFFAOYSA-N 2 0 371.485 0.889 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117312832 1221514495 /nfs/dbraw/zinc/51/44/95/1221514495.db2.gz AXYSOZYUXINVRF-IRXDYDNUSA-N 2 0 368.522 0.545 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138937 1226057225 /nfs/dbraw/zinc/05/72/25/1226057225.db2.gz WEJPHGPSXAEDEX-RRFJBIMHSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001230149546 1226058801 /nfs/dbraw/zinc/05/88/01/1226058801.db2.gz NFKGGEMTHMCPDM-CGTJXYLNSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001230150094 1226058836 /nfs/dbraw/zinc/05/88/36/1226058836.db2.gz VXALXUMHHCWAQO-USXIJHARSA-N 2 0 366.506 0.250 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001117956486 1221666679 /nfs/dbraw/zinc/66/66/79/1221666679.db2.gz YTLGZUUKORZZGM-CVEARBPZSA-N 2 0 373.501 0.894 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001117971506 1221670246 /nfs/dbraw/zinc/67/02/46/1221670246.db2.gz WHIVEMCORILYFB-INIZCTEOSA-N 2 0 361.490 0.168 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171352 1226060183 /nfs/dbraw/zinc/06/01/83/1226060183.db2.gz DFTJOZJXTZWRPC-HUUCEWRRSA-N 2 0 367.494 0.464 20 0 FCADRP [NH2+]=C(NC[C@@H](O)CN1CCCC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001118411804 1221776297 /nfs/dbraw/zinc/77/62/97/1221776297.db2.gz OENLUGYXNVGDKQ-GOSISDBHSA-N 2 0 373.501 0.748 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001118921816 1221844678 /nfs/dbraw/zinc/84/46/78/1221844678.db2.gz FYMSLRRDHJJYCF-BRSBDYLESA-N 2 0 364.534 0.925 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119423647 1221915646 /nfs/dbraw/zinc/91/56/46/1221915646.db2.gz BBTOILXRIYWXLV-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)N1CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C1)C2 ZINC001120584639 1222106100 /nfs/dbraw/zinc/10/61/00/1222106100.db2.gz PUKULKPIIRCFPB-ZKPTZSFGSA-N 2 0 363.506 0.546 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001120643232 1222110722 /nfs/dbraw/zinc/11/07/22/1222110722.db2.gz YRUYGQPDGAGGGY-YESZJQIVSA-N 2 0 366.506 0.386 20 0 FCADRP [NH3+]CCc1cnc2c(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cnn2c1 ZINC001121926401 1222225485 /nfs/dbraw/zinc/22/54/85/1222225485.db2.gz NQDMABDSLRNJPC-HNNXBMFYSA-N 2 0 358.446 0.025 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001121981737 1222229647 /nfs/dbraw/zinc/22/96/47/1222229647.db2.gz AIKIZUTVARVZTD-LJQANCHMSA-N 2 0 360.458 0.076 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)c3cnccc32)CC1 ZINC001122448546 1222275334 /nfs/dbraw/zinc/27/53/34/1222275334.db2.gz NDZVAAGQHLBVIX-SFHVURJKSA-N 2 0 355.442 0.914 20 0 FCADRP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000828409254 1222403672 /nfs/dbraw/zinc/40/36/72/1222403672.db2.gz IOKAENDVHPCWDN-OAHLLOKOSA-N 2 0 370.538 0.886 20 0 FCADRP O=C1N[C@H]2C[NH+](C/C=C\C[N@@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915173 1222485975 /nfs/dbraw/zinc/48/59/75/1222485975.db2.gz BEMFOJUURMBYDZ-PEPYXVNMSA-N 2 0 364.446 0.403 20 0 FCADRP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nn1C ZINC001138827034 1222526451 /nfs/dbraw/zinc/52/64/51/1222526451.db2.gz JACLCPFGUJDDED-UHFFFAOYSA-N 2 0 363.506 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000841208045 1222813854 /nfs/dbraw/zinc/81/38/54/1222813854.db2.gz KDDRLSBJNJVLIO-CABCVRRESA-N 2 0 359.474 0.586 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000841250424 1222816453 /nfs/dbraw/zinc/81/64/53/1222816453.db2.gz PQJINDXWBCKPMR-CVEARBPZSA-N 2 0 371.485 0.587 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000841259446 1222816676 /nfs/dbraw/zinc/81/66/76/1222816676.db2.gz QBRYSBMESISVKJ-UHFFFAOYSA-N 2 0 359.474 0.715 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000842223982 1222843061 /nfs/dbraw/zinc/84/30/61/1222843061.db2.gz UCWDVVOOMVTOJP-UHFFFAOYSA-N 2 0 360.502 0.735 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1)N1CC[NH2+]CC1 ZINC000843047314 1222857461 /nfs/dbraw/zinc/85/74/61/1222857461.db2.gz QNQCZXTUCDYJMU-QGZVFWFLSA-N 2 0 354.458 0.911 20 0 FCADRP C[NH+]1CCN(CCC(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)CC1 ZINC001143237332 1222872688 /nfs/dbraw/zinc/87/26/88/1222872688.db2.gz KGTUTRKDDSDVFF-UHFFFAOYSA-N 2 0 374.489 0.387 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001153780176 1222986114 /nfs/dbraw/zinc/98/61/14/1222986114.db2.gz DLKCCNXKPXBRRG-ZWKOTPCHSA-N 2 0 373.501 0.261 20 0 FCADRP [NH3+]CC1CN([C@H]2CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001155384876 1223034352 /nfs/dbraw/zinc/03/43/52/1223034352.db2.gz XIQKOAINRSDRQE-KRWDZBQOSA-N 2 0 360.506 0.714 20 0 FCADRP [NH3+]CC1CN([C@@H]2CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001155384878 1223034422 /nfs/dbraw/zinc/03/44/22/1223034422.db2.gz XIQKOAINRSDRQE-QGZVFWFLSA-N 2 0 360.506 0.714 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C ZINC001157083903 1223067129 /nfs/dbraw/zinc/06/71/29/1223067129.db2.gz WQPCCBFPKRCLAT-STQMWFEESA-N 2 0 368.434 0.320 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157309176 1223073462 /nfs/dbraw/zinc/07/34/62/1223073462.db2.gz FBXWYMBCUPXXGC-KBPBESRZSA-N 2 0 372.510 0.432 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1)C(=O)N1CCCC1 ZINC001157370664 1223075082 /nfs/dbraw/zinc/07/50/82/1223075082.db2.gz FOKACXQZGWNXJL-IRXDYDNUSA-N 2 0 362.474 0.498 20 0 FCADRP C[NH+]1CCN(c2ccc(N(c3cnccn3)C3CC[NH2+]CC3)nn2)CC1 ZINC001157538330 1223078804 /nfs/dbraw/zinc/07/88/04/1223078804.db2.gz ZYXKQLFLRKAIIL-UHFFFAOYSA-N 2 0 354.462 0.909 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CC[NH2+]CC1 ZINC001157629705 1223079851 /nfs/dbraw/zinc/07/98/51/1223079851.db2.gz PZMOTIQVJHPFRD-SFHVURJKSA-N 2 0 360.458 0.386 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C(=O)NC4CC4)nn3)CC2)CC1 ZINC001157841349 1223082988 /nfs/dbraw/zinc/08/29/88/1223082988.db2.gz CYJGJVBEWQRNFC-UHFFFAOYSA-N 2 0 358.490 0.833 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)cc(=O)oc2c1 ZINC001157811032 1223083079 /nfs/dbraw/zinc/08/30/79/1223083079.db2.gz YOXGVUGFAYWSRN-RLCCDNCMSA-N 2 0 359.426 0.867 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959426 1223085304 /nfs/dbraw/zinc/08/53/04/1223085304.db2.gz BHVUKXXRLGKXDV-ROUUACIJSA-N 3 0 358.486 0.612 20 0 FCADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960570 1223085356 /nfs/dbraw/zinc/08/53/56/1223085356.db2.gz LNAFJFWSQYNTQZ-HOTGVXAUSA-N 2 0 367.457 0.097 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001158092577 1223088533 /nfs/dbraw/zinc/08/85/33/1223088533.db2.gz NYMOWEGSPAFKHA-IAGOWNOFSA-N 2 0 354.454 0.829 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001158093097 1223088693 /nfs/dbraw/zinc/08/86/93/1223088693.db2.gz SIUKUHMNZISPKP-INIZCTEOSA-N 2 0 370.457 0.734 20 0 FCADRP O=C([C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120232 1223089913 /nfs/dbraw/zinc/08/99/13/1223089913.db2.gz KQMFHLDWICUWMP-LLGFUMIMSA-N 2 0 368.481 0.665 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160906 1223090061 /nfs/dbraw/zinc/09/00/61/1223090061.db2.gz LOGXLMXSSBVEMJ-BXWFABGCSA-N 3 0 365.522 0.178 20 0 FCADRP O=C([C@@H]1OC2(CC[NH2+]CC2)c2ccccc21)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168673 1223090355 /nfs/dbraw/zinc/09/03/55/1223090355.db2.gz WTMDUXQCGPLVBF-ZTFGCOKTSA-N 2 0 357.454 0.783 20 0 FCADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001158180507 1223090836 /nfs/dbraw/zinc/09/08/36/1223090836.db2.gz YIZXTRIGXJKELH-CIWUYKSXSA-N 2 0 356.470 0.159 20 0 FCADRP COC(=O)c1nc2cnccc2c(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262809 1223092332 /nfs/dbraw/zinc/09/23/32/1223092332.db2.gz WDUNEWWWJJSNHY-GFCCVEGCSA-N 2 0 356.430 0.813 20 0 FCADRP O=C([C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260834 1223092472 /nfs/dbraw/zinc/09/24/72/1223092472.db2.gz IEGNLVYBFJALCQ-VXGBXAGGSA-N 2 0 372.395 0.630 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262563 1223092535 /nfs/dbraw/zinc/09/25/35/1223092535.db2.gz STWYTNBJHCOMLU-HNAYVOBHSA-N 2 0 374.489 0.248 20 0 FCADRP CCc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001158261663 1223092585 /nfs/dbraw/zinc/09/25/85/1223092585.db2.gz ONSANSLHKKRMAP-OAHLLOKOSA-N 2 0 360.506 0.877 20 0 FCADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260840 1223092598 /nfs/dbraw/zinc/09/25/98/1223092598.db2.gz IHNIWWLASADMNT-OAHLLOKOSA-N 2 0 369.473 0.310 20 0 FCADRP Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281920 1223093598 /nfs/dbraw/zinc/09/35/98/1223093598.db2.gz GBUPULYBISYANX-MSOLQXFVSA-N 2 0 363.506 0.763 20 0 FCADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158416191 1223097253 /nfs/dbraw/zinc/09/72/53/1223097253.db2.gz SQUJFXZJAQUHEF-QMTMVMCOSA-N 2 0 365.474 0.431 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001158428497 1223097277 /nfs/dbraw/zinc/09/72/77/1223097277.db2.gz GPPFYXVPMYESTM-MGPQQGTHSA-N 2 0 369.510 0.435 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422187 1223097399 /nfs/dbraw/zinc/09/73/99/1223097399.db2.gz ITBRQXYBWJJIBM-IXDOHACOSA-N 2 0 355.442 0.117 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422191 1223097519 /nfs/dbraw/zinc/09/75/19/1223097519.db2.gz ITBRQXYBWJJIBM-YESZJQIVSA-N 2 0 355.442 0.117 20 0 FCADRP O=C(N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158547070 1223102268 /nfs/dbraw/zinc/10/22/68/1223102268.db2.gz LIWIJNFKJZWCEV-RMVXJAJNSA-N 3 0 354.498 0.791 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661656 1223104612 /nfs/dbraw/zinc/10/46/12/1223104612.db2.gz YFTIETSMPBUYJR-AAEUAGOBSA-N 2 0 360.393 0.591 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103389 1223117391 /nfs/dbraw/zinc/11/73/91/1223117391.db2.gz PJTCYWQKPQDGCD-INIZCTEOSA-N 2 0 373.505 0.572 20 0 FCADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C[C@H]21 ZINC001159109532 1223117423 /nfs/dbraw/zinc/11/74/23/1223117423.db2.gz ZNMOFLPIYRFTJK-LTIDMASMSA-N 2 0 368.522 0.482 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159145981 1223118982 /nfs/dbraw/zinc/11/89/82/1223118982.db2.gz KSCDCRFFFMDHLF-FRQCXROJSA-N 2 0 362.474 0.924 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161359 1223119852 /nfs/dbraw/zinc/11/98/52/1223119852.db2.gz XVPLBTNYAUPILD-KRWDZBQOSA-N 3 0 362.522 0.581 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])c1ccccc1)CC2 ZINC001159190758 1223120241 /nfs/dbraw/zinc/12/02/41/1223120241.db2.gz LUJMCRFEPPXFKV-INIZCTEOSA-N 2 0 371.441 0.551 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cccc(C[NH3+])c1)CC2 ZINC001159191610 1223120285 /nfs/dbraw/zinc/12/02/85/1223120285.db2.gz IUTWGRJBGQUXGF-UHFFFAOYSA-N 2 0 371.441 0.623 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236319 1223121732 /nfs/dbraw/zinc/12/17/32/1223121732.db2.gz OHQBZPLBCWBLNV-OAHLLOKOSA-N 3 0 357.462 0.023 20 0 FCADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001159258936 1223122222 /nfs/dbraw/zinc/12/22/22/1223122222.db2.gz VGNROSDTJOVAFO-RYQLBKOJSA-N 2 0 373.501 0.938 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316760 1223124327 /nfs/dbraw/zinc/12/43/27/1223124327.db2.gz LZLSCHPOXNJMNF-PKRLLGJHSA-N 2 0 356.470 0.595 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338273 1223124784 /nfs/dbraw/zinc/12/47/84/1223124784.db2.gz DBGQPOVYZLYTFB-LIALQNRZSA-N 2 0 370.497 0.799 20 0 FCADRP Cc1cccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339436 1223125152 /nfs/dbraw/zinc/12/51/52/1223125152.db2.gz NTCHMSOYRDUIRV-IHPCNDPISA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC[C@@H]21 ZINC001159533410 1223129201 /nfs/dbraw/zinc/12/92/01/1223129201.db2.gz FTNRVCPMXHBCGB-ILOCAZANSA-N 2 0 361.490 0.306 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560770 1223129921 /nfs/dbraw/zinc/12/99/21/1223129921.db2.gz NYIPHCNLBZUIRP-GMBSWORKSA-N 2 0 373.501 0.882 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159584107 1223129923 /nfs/dbraw/zinc/12/99/23/1223129923.db2.gz GNLGNOQJUZWMBP-HZPDHXFCSA-N 2 0 359.474 0.077 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]2C ZINC001159633136 1223132019 /nfs/dbraw/zinc/13/20/19/1223132019.db2.gz GMRVPYHXTUKAPT-PBHICJAKSA-N 3 0 362.522 0.953 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664492 1223133115 /nfs/dbraw/zinc/13/31/15/1223133115.db2.gz FJXVZWWBNJXECF-FJIDUMEYSA-N 2 0 362.449 0.973 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159811060 1223136936 /nfs/dbraw/zinc/13/69/36/1223136936.db2.gz VNOBDCNYESJOKB-CVEARBPZSA-N 2 0 359.478 0.585 20 0 FCADRP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]12 ZINC001159993449 1223142358 /nfs/dbraw/zinc/14/23/58/1223142358.db2.gz OZPSGRLAERVYCR-UYAOXDASSA-N 2 0 358.486 0.716 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054119 1223143586 /nfs/dbraw/zinc/14/35/86/1223143586.db2.gz XKEIOOMCYKMJDS-JBFGMIDGSA-N 2 0 357.458 0.495 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086542 1223144472 /nfs/dbraw/zinc/14/44/72/1223144472.db2.gz UYLLLKYVZBKRFB-ABSDTBQOSA-N 2 0 371.485 0.263 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086299 1223144763 /nfs/dbraw/zinc/14/47/63/1223144763.db2.gz VXYOPDYEKAYOHB-SQGPQFPESA-N 2 0 373.501 0.783 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160083740 1223144793 /nfs/dbraw/zinc/14/47/93/1223144793.db2.gz BSLZWANXVBPYMD-JTDSTZFVSA-N 2 0 359.474 0.393 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110611 1223146043 /nfs/dbraw/zinc/14/60/43/1223146043.db2.gz NODCASASTRJHIX-IRXDYDNUSA-N 2 0 371.485 0.373 20 0 FCADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CCO2 ZINC001160177974 1223147940 /nfs/dbraw/zinc/14/79/40/1223147940.db2.gz DCPSLSRIQSXBGT-VQIMIIECSA-N 2 0 364.490 0.101 20 0 FCADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCO2 ZINC001160191767 1223148781 /nfs/dbraw/zinc/14/87/81/1223148781.db2.gz ODIOUZKLJTUQNO-HKUYNNGSSA-N 2 0 368.522 0.722 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160237095 1223151430 /nfs/dbraw/zinc/15/14/30/1223151430.db2.gz UMXPBNBUVLDTDP-QGZVFWFLSA-N 2 0 372.473 0.392 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160353509 1223156073 /nfs/dbraw/zinc/15/60/73/1223156073.db2.gz PFGSYMUJAKKLCK-CYBMUJFWSA-N 2 0 358.402 0.273 20 0 FCADRP C[C@]1(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CCC[NH2+]1 ZINC001160406049 1223157790 /nfs/dbraw/zinc/15/77/90/1223157790.db2.gz OBXXQLHITYPLMR-GOSISDBHSA-N 2 0 355.446 0.842 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001160424385 1223158997 /nfs/dbraw/zinc/15/89/97/1223158997.db2.gz SKVVLPSXUDZSMX-XFUTXVRSSA-N 2 0 357.502 0.687 20 0 FCADRP COC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160581997 1223165471 /nfs/dbraw/zinc/16/54/71/1223165471.db2.gz JQCLESOURIBXHH-JYJNAYRXSA-N 2 0 368.522 0.850 20 0 FCADRP CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160595020 1223165969 /nfs/dbraw/zinc/16/59/69/1223165969.db2.gz AKXVRQIJZDERDP-IBGZPJMESA-N 2 0 372.513 0.886 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CCO1 ZINC001160644109 1223167565 /nfs/dbraw/zinc/16/75/65/1223167565.db2.gz SKVGXTCXHHXDTC-SVFBPWRDSA-N 3 0 372.513 0.674 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704529 1223169136 /nfs/dbraw/zinc/16/91/36/1223169136.db2.gz LLIYCSDZIBZLST-OTWHNJEPSA-N 2 0 354.498 0.728 20 0 FCADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779714 1223172044 /nfs/dbraw/zinc/17/20/44/1223172044.db2.gz LAVIQTXZPPFCOS-VPWXQRGCSA-N 2 0 351.454 0.602 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]([NH3+])Cc3ccncc3)C[C@H]1C2 ZINC001160790617 1223172425 /nfs/dbraw/zinc/17/24/25/1223172425.db2.gz RIWFWNCCFXXALJ-DYWWHBPLSA-N 2 0 372.469 0.199 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cccc4c3C[NH2+]CC4)C[C@H]1C2 ZINC001160799273 1223173804 /nfs/dbraw/zinc/17/38/04/1223173804.db2.gz BKNUTCKCNWDVMW-IZQPOCBFSA-N 2 0 369.465 0.803 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3COC4(C3)CC[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160811571 1223174556 /nfs/dbraw/zinc/17/45/56/1223174556.db2.gz QJPGDCPKAZAIST-SPYBWZPUSA-N 2 0 365.474 0.146 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C1CC[NH2+]CC1 ZINC001160842351 1223176585 /nfs/dbraw/zinc/17/65/85/1223176585.db2.gz DQQKNXXBTUSFPB-CYBMUJFWSA-N 2 0 372.395 0.471 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(Cc3ccccc3O2)CC1 ZINC001160827857 1223176930 /nfs/dbraw/zinc/17/69/30/1223176930.db2.gz UPGYDXBSFNIGMW-QGZVFWFLSA-N 2 0 358.486 0.733 20 0 FCADRP [NH3+][C@H](C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001160939763 1223181034 /nfs/dbraw/zinc/18/10/34/1223181034.db2.gz FMMZLVTYOVWMIF-IBGZPJMESA-N 2 0 358.486 0.617 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999784 1223182464 /nfs/dbraw/zinc/18/24/64/1223182464.db2.gz KPXDOBMCKVQQQU-MOPGFXCFSA-N 2 0 372.513 0.566 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)CC(F)(F)C1 ZINC001160972252 1223182502 /nfs/dbraw/zinc/18/25/02/1223182502.db2.gz ITMCPMLJSHWOKY-AWEZNQCLSA-N 2 0 366.412 0.977 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160959849 1223182735 /nfs/dbraw/zinc/18/27/35/1223182735.db2.gz XNYYOMDQDASCKM-HIFRSBDPSA-N 2 0 359.478 0.570 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)c2ccco2)CC1 ZINC001161000901 1223182908 /nfs/dbraw/zinc/18/29/08/1223182908.db2.gz VXWQQLBKCLHKTI-SJORKVTESA-N 2 0 362.474 0.459 20 0 FCADRP O=C([C@@H]1Oc2ccccc2C12CC[NH2+]CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001484 1223183055 /nfs/dbraw/zinc/18/30/55/1223183055.db2.gz YPXKPNQGCMPDIB-ROUUACIJSA-N 2 0 371.481 0.784 20 0 FCADRP C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001161232140 1223191279 /nfs/dbraw/zinc/19/12/79/1223191279.db2.gz ZEYSHTFDZXWWTE-LAQRGFTBSA-N 2 0 358.486 0.675 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001161253639 1223192980 /nfs/dbraw/zinc/19/29/80/1223192980.db2.gz WEPLIOWXIVUZAK-HZPDHXFCSA-N 2 0 359.474 0.750 20 0 FCADRP CCn1c2ccccc2nc1N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161297206 1223194241 /nfs/dbraw/zinc/19/42/41/1223194241.db2.gz SWMKQSQRMXXHCX-OAHLLOKOSA-N 2 0 368.485 0.514 20 0 FCADRP COc1cc(N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)ccn1 ZINC001161306813 1223195304 /nfs/dbraw/zinc/19/53/04/1223195304.db2.gz ZVWIIPLRPFFLDO-INIZCTEOSA-N 2 0 359.474 0.613 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C2CCOCC2)CC1 ZINC001161321792 1223196028 /nfs/dbraw/zinc/19/60/28/1223196028.db2.gz PIISOEZJURZQCQ-ZOBUZTSGSA-N 2 0 366.506 0.604 20 0 FCADRP CCN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161352404 1223196569 /nfs/dbraw/zinc/19/65/69/1223196569.db2.gz VXOOHLLPNHGFJZ-CJNGLKHVSA-N 2 0 358.446 0.604 20 0 FCADRP CCN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC001161352402 1223196745 /nfs/dbraw/zinc/19/67/45/1223196745.db2.gz VXOOHLLPNHGFJZ-BBRMVZONSA-N 2 0 358.446 0.604 20 0 FCADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378740 1223197048 /nfs/dbraw/zinc/19/70/48/1223197048.db2.gz MINCSDMAGZSBJA-MOPGFXCFSA-N 2 0 360.502 0.945 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3cccnc3O[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001161381890 1223197848 /nfs/dbraw/zinc/19/78/48/1223197848.db2.gz QQUZROOFRVBPRV-HZPDHXFCSA-N 2 0 359.474 0.460 20 0 FCADRP Cc1ccc(CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395557 1223198070 /nfs/dbraw/zinc/19/80/70/1223198070.db2.gz FWBDILAOQSBXDP-FHWLQOOXSA-N 2 0 372.513 0.924 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412199 1223198421 /nfs/dbraw/zinc/19/84/21/1223198421.db2.gz HIPAAXSQRSSQGR-JJXSEGSLSA-N 2 0 359.474 0.505 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001161445047 1223199559 /nfs/dbraw/zinc/19/95/59/1223199559.db2.gz MOGBBDTWSSFZJA-HKUYNNGSSA-N 4 0 365.566 0.593 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC001161493324 1223202650 /nfs/dbraw/zinc/20/26/50/1223202650.db2.gz LBIJKSWGSIDFKS-HRCADAONSA-N 2 0 363.458 0.696 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+]([C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001162275600 1223212768 /nfs/dbraw/zinc/21/27/68/1223212768.db2.gz ZMUGRQULHJRCNV-HRCADAONSA-N 2 0 368.522 0.435 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1nccc1C[NH3+] ZINC001162590871 1223217967 /nfs/dbraw/zinc/21/79/67/1223217967.db2.gz GNPXGKIIDWYXGF-ZDUSSCGKSA-N 2 0 361.446 0.832 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001162730578 1223219162 /nfs/dbraw/zinc/21/91/62/1223219162.db2.gz OPOILWNFNDRDBY-HNNXBMFYSA-N 2 0 364.494 0.947 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582014 1223240088 /nfs/dbraw/zinc/24/00/88/1223240088.db2.gz BYMQEXIMWXNKKS-ZIAGYGMSSA-N 2 0 367.494 0.048 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncc3c(n2)CC[NH2+]C3)nc1 ZINC001165801896 1223257132 /nfs/dbraw/zinc/25/71/32/1223257132.db2.gz WOMBRLFWNSNUTD-JLJPHGGASA-N 2 0 367.457 0.675 20 0 FCADRP CCOC(=O)C[C@@H]1C(=O)NCCN1c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001166548110 1223281990 /nfs/dbraw/zinc/28/19/90/1223281990.db2.gz OXMPHRHCOTYGAF-CQSZACIVSA-N 2 0 361.446 0.267 20 0 FCADRP [NH3+]C1CCN(c2ccnc(N3CCCN(c4ncccn4)CC3)n2)CC1 ZINC001166819127 1223287811 /nfs/dbraw/zinc/28/78/11/1223287811.db2.gz RAZIJSWMKFJVAP-UHFFFAOYSA-N 2 0 354.462 0.911 20 0 FCADRP COC(=O)C1(Nc2ncccc2C(=O)NCCC[NH+](C)C)CC[NH2+]CC1 ZINC001166930849 1223290058 /nfs/dbraw/zinc/29/00/58/1223290058.db2.gz FWSOHFYTEOFQCB-UHFFFAOYSA-N 2 0 363.462 0.470 20 0 FCADRP c1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001167021442 1223291389 /nfs/dbraw/zinc/29/13/89/1223291389.db2.gz OQLSBRRSTFODEW-UHFFFAOYSA-N 2 0 364.457 0.635 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001205510778 1223329307 /nfs/dbraw/zinc/32/93/07/1223329307.db2.gz GRACRNOPZZWQIV-DLBZAZTESA-N 2 0 365.518 0.914 20 0 FCADRP CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519653 1223330711 /nfs/dbraw/zinc/33/07/11/1223330711.db2.gz YREYAVNCLPMZKK-FGTMMUONSA-N 2 0 365.518 0.914 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F)C(N)=O ZINC001205648690 1223333905 /nfs/dbraw/zinc/33/39/05/1223333905.db2.gz OYTLOXOYWBWGAO-BHYGNILZSA-N 2 0 364.465 0.925 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955145 1223394404 /nfs/dbraw/zinc/39/44/04/1223394404.db2.gz LTBFXJKWCSKWSF-KBAYOESNSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC1 ZINC001207398171 1223443120 /nfs/dbraw/zinc/44/31/20/1223443120.db2.gz YVHMOWLYVFHXLZ-QUCCMNQESA-N 2 0 365.518 0.916 20 0 FCADRP O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436394 1223446788 /nfs/dbraw/zinc/44/67/88/1223446788.db2.gz BBTWJTJRFPYQRU-JQHSSLGASA-N 2 0 359.474 0.685 20 0 FCADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435004 1223446857 /nfs/dbraw/zinc/44/68/57/1223446857.db2.gz CSCRHDIKIDUNFA-UHFFFAOYSA-N 2 0 360.506 0.165 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21)c1cnccn1 ZINC001207437795 1223446896 /nfs/dbraw/zinc/44/68/96/1223446896.db2.gz ZXXTXSNLKWGYON-XYJFISCASA-N 2 0 359.474 0.543 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001208070069 1223513032 /nfs/dbraw/zinc/51/30/32/1223513032.db2.gz CHLJTENEHWUACK-HYVNUMGLSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001208074330 1223513903 /nfs/dbraw/zinc/51/39/03/1223513903.db2.gz WCMNPWKFGQJYKA-OKZBNKHCSA-N 2 0 368.522 0.450 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208611464 1223563441 /nfs/dbraw/zinc/56/34/41/1223563441.db2.gz DJMFLYQLQOLYLQ-GOSISDBHSA-N 3 0 365.566 0.498 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611963 1223564096 /nfs/dbraw/zinc/56/40/96/1223564096.db2.gz YVVHSLNAPFUSEV-ROUUACIJSA-N 2 0 365.518 0.916 20 0 FCADRP COC(=O)[C@H](C)C[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001208726343 1223572952 /nfs/dbraw/zinc/57/29/52/1223572952.db2.gz OQAONMFLXBLHPT-QGZVFWFLSA-N 2 0 366.550 0.972 20 0 FCADRP CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630205 1223608519 /nfs/dbraw/zinc/60/85/19/1223608519.db2.gz MGLRCGRLTSTMKL-UYAOXDASSA-N 2 0 366.550 0.973 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031317 1223719838 /nfs/dbraw/zinc/71/98/38/1223719838.db2.gz BPWWFJZACZZXTL-ZHALLVOQSA-N 2 0 361.486 0.959 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299905 1223733128 /nfs/dbraw/zinc/73/31/28/1223733128.db2.gz BHOGXRQWSVPIPE-HZPDHXFCSA-N 2 0 364.490 0.448 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309333 1223734653 /nfs/dbraw/zinc/73/46/53/1223734653.db2.gz AJUMWMYPRWGBCU-FGTMMUONSA-N 2 0 371.522 0.323 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349943 1223736570 /nfs/dbraw/zinc/73/65/70/1223736570.db2.gz KYUNRXVWMNYLSD-FGTMMUONSA-N 2 0 371.522 0.323 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366821 1223737697 /nfs/dbraw/zinc/73/76/97/1223737697.db2.gz KNOBTYOAHPFZIG-KBAYOESNSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001211451946 1223743472 /nfs/dbraw/zinc/74/34/72/1223743472.db2.gz MCKRBVUZBFJJBC-JFIYKMOQSA-N 2 0 358.442 0.760 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001211450401 1223743731 /nfs/dbraw/zinc/74/37/31/1223743731.db2.gz XWTZITLYWCNZOJ-NVXWUHKLSA-N 2 0 365.478 0.253 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342375 1223788664 /nfs/dbraw/zinc/78/86/64/1223788664.db2.gz UJUFPJBQDHRIFO-GVDBMIGSSA-N 2 0 371.522 0.177 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342485 1223788921 /nfs/dbraw/zinc/78/89/21/1223788921.db2.gz ZZXBUZAUSPMLTF-BRWVUGGUSA-N 2 0 369.506 0.339 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555457 1223813168 /nfs/dbraw/zinc/81/31/68/1223813168.db2.gz NCCJISORSGEZPJ-IAGOWNOFSA-N 2 0 367.494 0.300 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576551 1223816130 /nfs/dbraw/zinc/81/61/30/1223816130.db2.gz QDXXQCKMVRTAHM-KZNAEPCWSA-N 2 0 371.522 0.465 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747695 1223843134 /nfs/dbraw/zinc/84/31/34/1223843134.db2.gz OLXOOHGBLHXLNE-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974265 1223880046 /nfs/dbraw/zinc/88/00/46/1223880046.db2.gz PQGLRKWJGPQUEU-QZTJIDSGSA-N 2 0 363.506 0.965 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214338381 1223902001 /nfs/dbraw/zinc/90/20/01/1223902001.db2.gz PPELEIFXAFPWJE-KFWWJZLASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001214343689 1223902640 /nfs/dbraw/zinc/90/26/40/1223902640.db2.gz CKXPMWDCVWURTL-XYPHTWIQSA-N 2 0 362.518 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001214344282 1223902675 /nfs/dbraw/zinc/90/26/75/1223902675.db2.gz QVSAZZULOMYIMU-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001214344283 1223902877 /nfs/dbraw/zinc/90/28/77/1223902877.db2.gz QVSAZZULOMYIMU-NXHRZFHOSA-N 2 0 358.486 0.834 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214598697 1223925049 /nfs/dbraw/zinc/92/50/49/1223925049.db2.gz ZQQNMTWZNUISPT-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214779902 1223941758 /nfs/dbraw/zinc/94/17/58/1223941758.db2.gz CQTVMUUXZRYDIL-NXHRZFHOSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)no1 ZINC001214855677 1223948682 /nfs/dbraw/zinc/94/86/82/1223948682.db2.gz KOAPVHMZKPPOAQ-ZLENFMNRSA-N 2 0 363.462 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214948287 1223958649 /nfs/dbraw/zinc/95/86/49/1223958649.db2.gz NQQSJFZHSUYGDE-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C)C(=O)NC(N)=O ZINC001214967165 1223960025 /nfs/dbraw/zinc/96/00/25/1223960025.db2.gz QWSKDPIZHUEMRF-ISTVAULSSA-N 2 0 358.402 0.196 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C)C1CC1 ZINC001215200451 1223981882 /nfs/dbraw/zinc/98/18/82/1223981882.db2.gz WIMDVGATMPMDJB-IJEWVQPXSA-N 2 0 361.490 0.704 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215416233 1223998271 /nfs/dbraw/zinc/99/82/71/1223998271.db2.gz QINJRZKVQXQKNZ-HUUCEWRRSA-N 2 0 367.538 0.862 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458814 1224000496 /nfs/dbraw/zinc/00/04/96/1224000496.db2.gz LXQHDWOOXULKEU-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001215461107 1224000638 /nfs/dbraw/zinc/00/06/38/1224000638.db2.gz SDYAVAMAWIRPLF-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458583 1224000860 /nfs/dbraw/zinc/00/08/60/1224000860.db2.gz ABHMDMCKJAXXCD-IUODEOHRSA-N 2 0 364.494 0.364 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1)[NH+](CC)CC ZINC001215519053 1224004067 /nfs/dbraw/zinc/00/40/67/1224004067.db2.gz WDBBQTDJBIPSCM-NXHRZFHOSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1)[NH+]1CCCC1 ZINC001215598485 1224008362 /nfs/dbraw/zinc/00/83/62/1224008362.db2.gz BWCQLAKFGVXVCI-IXDOHACOSA-N 2 0 363.506 0.858 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774402 1224017500 /nfs/dbraw/zinc/01/75/00/1224017500.db2.gz OCTWNYIULRKECO-RBSFLKMASA-N 2 0 367.494 0.141 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216002341 1224029402 /nfs/dbraw/zinc/02/94/02/1224029402.db2.gz RIRWPKAPCMJHLZ-IAGOWNOFSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001216334914 1224045392 /nfs/dbraw/zinc/04/53/92/1224045392.db2.gz AEOTYCNFBAONCI-YVWKXTFCSA-N 2 0 363.502 0.909 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384111 1224047833 /nfs/dbraw/zinc/04/78/33/1224047833.db2.gz YGBPRRGGDXVEHG-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001216469272 1224052482 /nfs/dbraw/zinc/05/24/82/1224052482.db2.gz ONCXAVKVZLPPQX-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001216756139 1224069026 /nfs/dbraw/zinc/06/90/26/1224069026.db2.gz UENJKOQTAZWZAY-RBSFLKMASA-N 2 0 360.462 0.336 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)on1 ZINC001216756173 1224069093 /nfs/dbraw/zinc/06/90/93/1224069093.db2.gz VPDXRBXEWYGJQO-VHDGCEQUSA-N 2 0 363.462 0.842 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838926 1224077743 /nfs/dbraw/zinc/07/77/43/1224077743.db2.gz IMKHRENLVWBMSB-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001216845134 1224078400 /nfs/dbraw/zinc/07/84/00/1224078400.db2.gz YTAQOODYPNBCPV-RBSFLKMASA-N 2 0 363.462 0.924 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)n(C)n1 ZINC001217011140 1224084404 /nfs/dbraw/zinc/08/44/04/1224084404.db2.gz ZNFSNSAHUPHBHV-TZMCWYRMSA-N 2 0 359.434 0.000 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@]3(C)C2)C1 ZINC000993314955 1249459298 /nfs/dbraw/zinc/45/92/98/1249459298.db2.gz BLTRZBHCSNLODN-ZRGWGRIASA-N 2 0 359.474 0.601 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993436188 1249535310 /nfs/dbraw/zinc/53/53/10/1249535310.db2.gz GLFIATVKIAOHCQ-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCN1C ZINC000823783888 1245321009 /nfs/dbraw/zinc/32/10/09/1245321009.db2.gz DBAGCVWDTGBOGG-XKGZKEIXSA-N 2 0 360.502 0.374 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)CC[N@@H+]1C ZINC000994083881 1250183630 /nfs/dbraw/zinc/18/36/30/1250183630.db2.gz ISMNSJZNCMHLEH-JOCBIADPSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)CC[N@@H+]1C ZINC000994092325 1250187450 /nfs/dbraw/zinc/18/74/50/1250187450.db2.gz OJRGMIORJRILKU-QBPKDAKJSA-N 2 0 362.518 0.633 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891464463 1245450946 /nfs/dbraw/zinc/45/09/46/1245450946.db2.gz MBGRTGFPEPGWJC-CALCHBBNSA-N 3 0 358.490 0.740 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505201 1245501834 /nfs/dbraw/zinc/50/18/34/1245501834.db2.gz RBSPPEFXFDDPOU-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C[C@H](C)O1 ZINC000911518011 1245504347 /nfs/dbraw/zinc/50/43/47/1245504347.db2.gz ZYBLVZXHGKJTRX-LTCOOKNTSA-N 2 0 374.485 0.343 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000922342412 1245668922 /nfs/dbraw/zinc/66/89/22/1245668922.db2.gz ZVWBJIVFSVOFRF-GUDVDZBRSA-N 2 0 364.534 0.916 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282341 1245705903 /nfs/dbraw/zinc/70/59/03/1245705903.db2.gz NQLQMURXGHSPFN-CVEARBPZSA-N 2 0 365.449 0.709 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000923561344 1245727911 /nfs/dbraw/zinc/72/79/11/1245727911.db2.gz ADARNRNPMSMMSR-RTBURBONSA-N 2 0 360.502 0.422 20 0 FCADRP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000941272374 1246536283 /nfs/dbraw/zinc/53/62/83/1246536283.db2.gz VDFMZHUORVFFFM-BZUAXINKSA-N 2 0 361.490 0.984 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1)[NH+](C)C ZINC000941786090 1246825614 /nfs/dbraw/zinc/82/56/14/1246825614.db2.gz QCMDZFAMLKKMCB-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943058995 1247251174 /nfs/dbraw/zinc/25/11/74/1247251174.db2.gz RZBPJOVLIJJMQG-IXDOHACOSA-N 2 0 371.441 0.384 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943592039 1247363941 /nfs/dbraw/zinc/36/39/41/1247363941.db2.gz ULVGBOIYPBOANC-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001327811324 1265432556 /nfs/dbraw/zinc/43/25/56/1265432556.db2.gz DGDKFBCMWGMPPD-QGZVFWFLSA-N 2 0 360.458 0.714 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327984352 1265467118 /nfs/dbraw/zinc/46/71/18/1265467118.db2.gz KZBYUDFCWOVWQT-QZTJIDSGSA-N 2 0 366.506 0.792 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000976832850 1248421485 /nfs/dbraw/zinc/42/14/85/1248421485.db2.gz QOAUQBKCIYATOU-FUEZWAHWSA-N 2 0 367.453 0.861 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC000996540510 1251374879 /nfs/dbraw/zinc/37/48/79/1251374879.db2.gz ZDVJWVCYBFDRRZ-DEICHXMPSA-N 2 0 371.485 0.961 20 0 FCADRP Cn1ccnc1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC000996559261 1251384951 /nfs/dbraw/zinc/38/49/51/1251384951.db2.gz GLIXIMDAPJCHCZ-PMPSAXMXSA-N 2 0 359.474 0.697 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000996563086 1251387187 /nfs/dbraw/zinc/38/71/87/1251387187.db2.gz NLXDHNPVEHAYSU-BDXSIMOUSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH+]3CCN(CCCO)CC3)CC2)CC[N@@H+]1C ZINC000996774916 1251428540 /nfs/dbraw/zinc/42/85/40/1251428540.db2.gz BPGVLVCQJZDQHY-LWSMDNFKSA-N 2 0 366.550 0.754 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC000997884125 1251734387 /nfs/dbraw/zinc/73/43/87/1251734387.db2.gz BMNHKSUKCPZMNL-VSZNYVQBSA-N 2 0 362.518 0.917 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998649339 1251941203 /nfs/dbraw/zinc/94/12/03/1251941203.db2.gz KXAPDRLEXXKGEV-LTIDMASMSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC001002247402 1252489462 /nfs/dbraw/zinc/48/94/62/1252489462.db2.gz KHFJCJMRZHAGQJ-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001003793354 1253110114 /nfs/dbraw/zinc/11/01/14/1253110114.db2.gz NBOVWLGTSKVMQQ-DJIMGWMZSA-N 2 0 366.506 0.010 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC001004388078 1253310950 /nfs/dbraw/zinc/31/09/50/1253310950.db2.gz DVGJRJOQJOPOMQ-OAGGEKHMSA-N 2 0 358.486 0.426 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001006178407 1253719560 /nfs/dbraw/zinc/71/95/60/1253719560.db2.gz BGAIDLKINNMBCB-ZMSDIMECSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001033100241 1253944591 /nfs/dbraw/zinc/94/45/91/1253944591.db2.gz WILMYWYXOMOVEF-OWCLPIDISA-N 2 0 364.490 0.398 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001033100240 1253944899 /nfs/dbraw/zinc/94/48/99/1253944899.db2.gz WILMYWYXOMOVEF-HRCADAONSA-N 2 0 364.490 0.398 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055980747 1254091505 /nfs/dbraw/zinc/09/15/05/1254091505.db2.gz QFGXDHFWSQVRKE-MDZRGWNJSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001058788021 1254103626 /nfs/dbraw/zinc/10/36/26/1254103626.db2.gz ZRVKQNCKNZPRGN-BRWVUGGUSA-N 2 0 370.538 0.384 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)COCC[NH+](C)C)CCC2)CC[N@@H+]1C ZINC001063227216 1254318340 /nfs/dbraw/zinc/31/83/40/1254318340.db2.gz IMZFRMWIFRYFDJ-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)COCC[NH+](C)C)CCC2)CC[N@@H+]1C ZINC001063719150 1254382758 /nfs/dbraw/zinc/38/27/58/1254382758.db2.gz ZJXBLRCUWRPJOL-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001329823835 1265861074 /nfs/dbraw/zinc/86/10/74/1265861074.db2.gz PHJGLBQPVODQRU-UHFFFAOYSA-N 2 0 366.466 0.283 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001520192816 1265873511 /nfs/dbraw/zinc/87/35/11/1265873511.db2.gz SSTNWSVGMOJJAO-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065402625 1254529056 /nfs/dbraw/zinc/52/90/56/1254529056.db2.gz XMSLEGHBOCHIQG-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553932 1254679487 /nfs/dbraw/zinc/67/94/87/1254679487.db2.gz UXGDKIWNCNYLBK-CGTJXYLNSA-N 2 0 363.506 0.246 20 0 FCADRP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001077612783 1254775986 /nfs/dbraw/zinc/77/59/86/1254775986.db2.gz PARPOMZEIPMJHQ-RTBURBONSA-N 2 0 361.486 0.836 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC1 ZINC001077778541 1254981007 /nfs/dbraw/zinc/98/10/07/1254981007.db2.gz PEKHLNRYGLDJHV-RTBURBONSA-N 2 0 361.486 0.572 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011909 1255167334 /nfs/dbraw/zinc/16/73/34/1255167334.db2.gz NHLLFRDIDHPVCU-QZTJIDSGSA-N 2 0 365.518 0.983 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1 ZINC001078011048 1255167744 /nfs/dbraw/zinc/16/77/44/1255167744.db2.gz ZFLXNFYPQPDWSK-KURKYZTESA-N 2 0 359.470 0.631 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cncn3C)C2)CC[N@@H+]1C ZINC001078403599 1255407825 /nfs/dbraw/zinc/40/78/25/1255407825.db2.gz CTOZHYXLFYDFLX-OKZBNKHCSA-N 2 0 363.506 0.858 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079251400 1255487730 /nfs/dbraw/zinc/48/77/30/1255487730.db2.gz VJPXYPZYYJGOFY-ZWKOTPCHSA-N 2 0 370.453 0.880 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270317 1255495961 /nfs/dbraw/zinc/49/59/61/1255495961.db2.gz MBWHYQPXDCPWLT-YESZJQIVSA-N 2 0 363.502 0.402 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001079309633 1255506251 /nfs/dbraw/zinc/50/62/51/1255506251.db2.gz JNDZFYAUJIJBBA-DOTOQJQBSA-N 2 0 362.449 0.537 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013671 1255706137 /nfs/dbraw/zinc/70/61/37/1255706137.db2.gz VBGCOZDIVZLXDO-CXAGYDPISA-N 2 0 353.430 0.985 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080021606 1255711608 /nfs/dbraw/zinc/71/16/08/1255711608.db2.gz IKWICFFWTMKHOQ-BRWVUGGUSA-N 2 0 365.522 0.569 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311215 1255834557 /nfs/dbraw/zinc/83/45/57/1255834557.db2.gz VZNWBAAGKRVAEN-IXDOHACOSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080557187 1255929139 /nfs/dbraw/zinc/92/91/39/1255929139.db2.gz JRMVHSDFUHXPMO-HYVNUMGLSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593286 1255946987 /nfs/dbraw/zinc/94/69/87/1255946987.db2.gz SOHMODBJIWIZFV-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080890091 1256075314 /nfs/dbraw/zinc/07/53/14/1256075314.db2.gz QGTSAXGJUOCSSM-HZPDHXFCSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081228844 1256213173 /nfs/dbraw/zinc/21/31/73/1256213173.db2.gz CVDHWBLLMSCWCG-NZSAHSFTSA-N 2 0 361.486 0.531 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330452359 1266028330 /nfs/dbraw/zinc/02/83/30/1266028330.db2.gz XYOOUYZHODACHY-YESZJQIVSA-N 2 0 366.506 0.345 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066325 1256518970 /nfs/dbraw/zinc/51/89/70/1256518970.db2.gz LZCHLZPAOPOBFS-DZJNRPSUSA-N 2 0 363.506 0.508 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001330583630 1266063251 /nfs/dbraw/zinc/06/32/51/1266063251.db2.gz BHERXUUEZIZXJR-UHFFFAOYSA-N 2 0 369.473 0.992 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082507587 1256793249 /nfs/dbraw/zinc/79/32/49/1256793249.db2.gz WZEOPLYSALGBJE-BZUAXINKSA-N 2 0 364.490 0.445 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592462 1266066302 /nfs/dbraw/zinc/06/63/02/1266066302.db2.gz QFCYSTMBSHPJAS-CQSZACIVSA-N 2 0 361.494 0.101 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082617399 1256927512 /nfs/dbraw/zinc/92/75/12/1256927512.db2.gz RBWXDUUWNNQJDE-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653510 1256956857 /nfs/dbraw/zinc/95/68/57/1256956857.db2.gz ONZHDHRDHSOOMU-JZMXBONXSA-N 2 0 371.485 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082653271 1256957789 /nfs/dbraw/zinc/95/77/89/1256957789.db2.gz CRXSQTSECUSAEW-YUKWLFIZSA-N 2 0 359.474 0.220 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001082798481 1257057088 /nfs/dbraw/zinc/05/70/88/1257057088.db2.gz WOSORNXFUOUNJO-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)o1 ZINC001082798354 1257057373 /nfs/dbraw/zinc/05/73/73/1257057373.db2.gz PFWBHDBCSKUABL-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082828957 1257086433 /nfs/dbraw/zinc/08/64/33/1257086433.db2.gz UMWXQYYCKUCAKG-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082864484 1257114795 /nfs/dbraw/zinc/11/47/95/1257114795.db2.gz OTNCPUGNIKEYRT-MRVWCRGKSA-N 2 0 359.430 0.003 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCC4CC4)C[C@@H]32)n1 ZINC001083084857 1257286870 /nfs/dbraw/zinc/28/68/70/1257286870.db2.gz JZRLXRSLCQMYSB-ZWKOTPCHSA-N 2 0 361.490 0.770 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001521266392 1266107124 /nfs/dbraw/zinc/10/71/24/1266107124.db2.gz NGHCLFHTDBFUNT-DJIMGWMZSA-N 2 0 358.490 0.549 20 0 FCADRP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001521343016 1266115050 /nfs/dbraw/zinc/11/50/50/1266115050.db2.gz UXHLWVYOCNVZMR-WMZOPIPTSA-N 2 0 366.554 0.042 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H](O)C2)c1 ZINC001083469293 1257461226 /nfs/dbraw/zinc/46/12/26/1257461226.db2.gz NHJYNCJUEAONEB-MOPGFXCFSA-N 2 0 371.485 0.728 20 0 FCADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1)OC ZINC001083783400 1257530368 /nfs/dbraw/zinc/53/03/68/1257530368.db2.gz PYIBAKCKMIHYQJ-QRVBRYPASA-N 2 0 363.502 0.991 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCN3C)cc2)C[C@@H](C)O1 ZINC001521433292 1266121114 /nfs/dbraw/zinc/12/11/14/1266121114.db2.gz FHZOZDJXVADWKG-GPMSIDNRSA-N 2 0 360.502 0.816 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)CC1 ZINC001083832950 1257586448 /nfs/dbraw/zinc/58/64/48/1257586448.db2.gz BNNNQYURONNNIC-MOPGFXCFSA-N 2 0 361.486 0.959 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937370 1257723007 /nfs/dbraw/zinc/72/30/07/1257723007.db2.gz ZUCQXUMHVHNQFX-UHOSZYNNSA-N 2 0 365.518 0.696 20 0 FCADRP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958322 1257747880 /nfs/dbraw/zinc/74/78/80/1257747880.db2.gz AGJXGWWKILWKEC-AEFFLSMTSA-N 2 0 358.486 0.510 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC001331098116 1266146019 /nfs/dbraw/zinc/14/60/19/1266146019.db2.gz PFRMKTPVFJYVLS-WCXIOVBPSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001084090830 1257915003 /nfs/dbraw/zinc/91/50/03/1257915003.db2.gz KRZCWSJNLANLFL-IPELMVKDSA-N 2 0 361.486 0.950 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331118634 1266151923 /nfs/dbraw/zinc/15/19/23/1266151923.db2.gz IWRKXSIAGIEMMG-HDICACEKSA-N 2 0 356.470 0.861 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084442913 1258115431 /nfs/dbraw/zinc/11/54/31/1258115431.db2.gz VSCWUPDIMSLWAN-IAGOWNOFSA-N 2 0 358.490 0.687 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCOC4)C[C@H]32)cn1 ZINC001084714377 1258260103 /nfs/dbraw/zinc/26/01/03/1258260103.db2.gz DMZXUVYXMPPAHM-LZLYRXPVSA-N 2 0 361.490 0.628 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032398 1258533897 /nfs/dbraw/zinc/53/38/97/1258533897.db2.gz FBHNAIICVFPQCE-ZACQAIPSSA-N 2 0 363.506 0.419 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033294 1258537042 /nfs/dbraw/zinc/53/70/42/1258537042.db2.gz ZFAIDZOFXWQUFM-ZACQAIPSSA-N 2 0 363.506 0.276 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)CC1 ZINC001085049952 1258545601 /nfs/dbraw/zinc/54/56/01/1258545601.db2.gz LDCHQKDLQXZFHL-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC001331374137 1266201246 /nfs/dbraw/zinc/20/12/46/1266201246.db2.gz HZJDNCLJHVIWTA-AWEZNQCLSA-N 2 0 355.446 0.949 20 0 FCADRP COCC1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC001331375364 1266202785 /nfs/dbraw/zinc/20/27/85/1266202785.db2.gz PCHBZVVRAPXPIG-UHFFFAOYSA-N 2 0 366.506 0.335 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)C1CC1 ZINC001088171736 1258689396 /nfs/dbraw/zinc/68/93/96/1258689396.db2.gz DVONMUZGGDBAET-CVEARBPZSA-N 2 0 360.502 0.483 20 0 FCADRP O=C(N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172233 1258692224 /nfs/dbraw/zinc/69/22/24/1258692224.db2.gz AWVAILZCQLOGGN-SJORKVTESA-N 2 0 360.502 0.485 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782702 1258843738 /nfs/dbraw/zinc/84/37/38/1258843738.db2.gz WKLPIQUWMUBHBE-XPKDYRNWSA-N 2 0 369.425 0.437 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782036 1258843854 /nfs/dbraw/zinc/84/38/54/1258843854.db2.gz CAGDLPOSKGLLCU-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592509 1258927152 /nfs/dbraw/zinc/92/71/52/1258927152.db2.gz RWYMRKSRDKPZNR-HUUCEWRRSA-N 2 0 363.510 0.780 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1 ZINC001106597754 1258927177 /nfs/dbraw/zinc/92/71/77/1258927177.db2.gz MBNKKCMRXIQFCO-HUUCEWRRSA-N 2 0 367.494 0.784 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001106623436 1258929333 /nfs/dbraw/zinc/92/93/33/1258929333.db2.gz SVHJGHBMNSLMGJ-HUUCEWRRSA-N 2 0 362.474 0.967 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)[NH+](CC)CC ZINC001106660239 1258935068 /nfs/dbraw/zinc/93/50/68/1258935068.db2.gz HIUGGFRTXLTHLC-BRWVUGGUSA-N 2 0 367.538 0.816 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)C1 ZINC001106666340 1258936983 /nfs/dbraw/zinc/93/69/83/1258936983.db2.gz KZHJBTPWEZHKMZ-JFIYKMOQSA-N 2 0 364.534 0.881 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666692 1258937068 /nfs/dbraw/zinc/93/70/68/1258937068.db2.gz QURXOIHULGNEBQ-GVDBMIGSSA-N 2 0 368.522 0.165 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001106666467 1258937417 /nfs/dbraw/zinc/93/74/17/1258937417.db2.gz LTAOKGQMFWNVQV-IIDMSEBBSA-N 2 0 362.522 0.921 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106779512 1258962090 /nfs/dbraw/zinc/96/20/90/1258962090.db2.gz PTEQKJHWCPKGDN-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106840346 1258973742 /nfs/dbraw/zinc/97/37/42/1258973742.db2.gz JIGCPWRHUZQHPZ-HUUCEWRRSA-N 2 0 362.478 0.441 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840419 1258973922 /nfs/dbraw/zinc/97/39/22/1258973922.db2.gz LWJPFGYHHVZLDU-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840192 1258973984 /nfs/dbraw/zinc/97/39/84/1258973984.db2.gz CNQXYUROYCPDNT-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840420 1258974073 /nfs/dbraw/zinc/97/40/73/1258974073.db2.gz LWJPFGYHHVZLDU-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860181 1258980220 /nfs/dbraw/zinc/98/02/20/1258980220.db2.gz MUGGFIZPTURCID-LZQZEXGQSA-N 2 0 367.534 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106860202 1258980797 /nfs/dbraw/zinc/98/07/97/1258980797.db2.gz NNXKGXUPJLOROG-CRAIPNDOSA-N 2 0 364.534 0.881 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001106874284 1258985680 /nfs/dbraw/zinc/98/56/80/1258985680.db2.gz AYWITTXUALALBG-ZTFGCOKTSA-N 2 0 362.522 0.921 20 0 FCADRP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877959 1258986758 /nfs/dbraw/zinc/98/67/58/1258986758.db2.gz DMIPVBWKSDEVPQ-GDBMZVCRSA-N 2 0 366.510 0.369 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106884180 1258987173 /nfs/dbraw/zinc/98/71/73/1258987173.db2.gz ARYHOGLMGSXGCH-HZPDHXFCSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106884219 1258987190 /nfs/dbraw/zinc/98/71/90/1258987190.db2.gz BEWJMBQCVJCNEE-KURKYZTESA-N 2 0 365.518 0.962 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106907894 1258994954 /nfs/dbraw/zinc/99/49/54/1258994954.db2.gz HUBKVFSTYBJDMI-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106980894 1259010293 /nfs/dbraw/zinc/01/02/93/1259010293.db2.gz DCLQULWMOMIGAG-BZUAXINKSA-N 2 0 362.474 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106983121 1259011053 /nfs/dbraw/zinc/01/10/53/1259011053.db2.gz URAIEESTEMAZLZ-FGTMMUONSA-N 2 0 364.534 0.881 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986253 1259011364 /nfs/dbraw/zinc/01/13/64/1259011364.db2.gz HQKUIFIMMZXFGE-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107028320 1259020185 /nfs/dbraw/zinc/02/01/85/1259020185.db2.gz YJHQIRGATDVVOB-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001107033092 1259021760 /nfs/dbraw/zinc/02/17/60/1259021760.db2.gz GUDBFDYWCBDYFW-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042267 1259024074 /nfs/dbraw/zinc/02/40/74/1259024074.db2.gz DJYCSUMDKYFLAG-HZPDHXFCSA-N 2 0 365.526 0.998 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC(N)=O)CC3)CCC1 ZINC001107436507 1259087386 /nfs/dbraw/zinc/08/73/86/1259087386.db2.gz AOVBETWTHQTRKP-CXAGYDPISA-N 2 0 365.478 0.026 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107547001 1259112262 /nfs/dbraw/zinc/11/22/62/1259112262.db2.gz XIZZIVLEHXGTFH-PMUMKWKESA-N 2 0 365.478 0.026 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107546852 1259113118 /nfs/dbraw/zinc/11/31/18/1259113118.db2.gz RHGMCIZKHUNXND-WRWLIDTKSA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2 ZINC001107582868 1259124925 /nfs/dbraw/zinc/12/49/25/1259124925.db2.gz ARTOWOJQPASDJY-RDTXWAMCSA-N 2 0 367.494 0.145 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CCC1 ZINC001109403411 1259158072 /nfs/dbraw/zinc/15/80/72/1259158072.db2.gz FMHJZFJUKRGJRI-WCVJEAGWSA-N 2 0 358.490 0.971 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001331576419 1266240047 /nfs/dbraw/zinc/24/00/47/1266240047.db2.gz ZSGSKFMYLRVJEO-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127695423 1259184683 /nfs/dbraw/zinc/18/46/83/1259184683.db2.gz KLPYNRZXRYHESZ-HZSPNIEDSA-N 2 0 369.510 0.435 20 0 FCADRP COc1ccc(C)cc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660205 1259185091 /nfs/dbraw/zinc/18/50/91/1259185091.db2.gz RHGOKHOFCQISJR-HUUCEWRRSA-N 2 0 362.474 0.988 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603608 1266247266 /nfs/dbraw/zinc/24/72/66/1266247266.db2.gz HBCZECOCUNXMNE-VDHUWJSZSA-N 2 0 358.486 0.867 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199033 1259342820 /nfs/dbraw/zinc/34/28/20/1259342820.db2.gz BOVMAFOUVDRFAJ-NXOAAHMSSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129205294 1259344214 /nfs/dbraw/zinc/34/42/14/1259344214.db2.gz SEKQJDLMUQUTHT-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205218 1259344499 /nfs/dbraw/zinc/34/44/99/1259344499.db2.gz QXSODNCGZUYBSG-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129228185 1259348753 /nfs/dbraw/zinc/34/87/53/1259348753.db2.gz HPOBZWYRPKPABO-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233211 1259350609 /nfs/dbraw/zinc/35/06/09/1259350609.db2.gz IOERRMDGVBLLAQ-IXDOHACOSA-N 2 0 366.510 0.632 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267235 1259362408 /nfs/dbraw/zinc/36/24/08/1259362408.db2.gz ZVVMDUPGTVMYDL-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300691 1259368108 /nfs/dbraw/zinc/36/81/08/1259368108.db2.gz DSRMXMDLPCQNRZ-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157593771 1259385126 /nfs/dbraw/zinc/38/51/26/1259385126.db2.gz WRGYAONTTAVQNX-ARFHVFGLSA-N 2 0 356.470 0.668 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)C[C@H]1O ZINC001160655187 1259385959 /nfs/dbraw/zinc/38/59/59/1259385959.db2.gz JOUOCJINCDOTDN-GPMSIDNRSA-N 2 0 372.469 0.690 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200546227 1259416865 /nfs/dbraw/zinc/41/68/65/1259416865.db2.gz AHUXGUPLROTMCE-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001200651690 1259418722 /nfs/dbraw/zinc/41/87/22/1259418722.db2.gz HUNWPECLSQHCGM-LSDHHAIUSA-N 2 0 363.462 0.924 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401789 1259489970 /nfs/dbraw/zinc/48/99/70/1259489970.db2.gz YZBHECHCHKAJLE-RCCFBDPRSA-N 2 0 371.522 0.443 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519883 /nfs/dbraw/zinc/51/98/83/1259519883.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 2 0 368.522 0.448 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496073 1259525660 /nfs/dbraw/zinc/52/56/60/1259525660.db2.gz XUSCHPVISNIIOW-BRWVUGGUSA-N 2 0 371.522 0.462 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)no1 ZINC001215536157 1259534949 /nfs/dbraw/zinc/53/49/49/1259534949.db2.gz KGQLFIUZQCSYQH-UMVBOHGHSA-N 2 0 363.462 0.842 20 0 FCADRP OC[C@@]12C[NH2+]C[C@@H]1CN(Cc1cnc3cc(C4CC[NH2+]CC4)nn3c1)C2 ZINC001235002469 1259566203 /nfs/dbraw/zinc/56/62/03/1259566203.db2.gz QGMDVRLXCUHPIN-APWZRJJASA-N 2 0 356.474 0.210 20 0 FCADRP Fc1ccccc1-c1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871454 1259582707 /nfs/dbraw/zinc/58/27/07/1259582707.db2.gz VAIVWQJTDGTMOQ-UHFFFAOYSA-N 2 0 358.465 0.867 20 0 FCADRP c1cc(CN2CCOCC2)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871449 1259582952 /nfs/dbraw/zinc/58/29/52/1259582952.db2.gz RRUQVWCUPWRJIT-UHFFFAOYSA-N 2 0 361.534 0.103 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc(-c2ccccc2F)nc1 ZINC001236310620 1259588884 /nfs/dbraw/zinc/58/88/84/1259588884.db2.gz KEKALOLDIVFUCK-UHFFFAOYSA-N 2 0 374.464 0.899 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1OC(C)=O ZINC001236310058 1259588950 /nfs/dbraw/zinc/58/89/50/1259588950.db2.gz SPMCDFJBRICSST-UHFFFAOYSA-N 2 0 366.462 0.236 20 0 FCADRP COc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c2ccccc21 ZINC001236312096 1259589350 /nfs/dbraw/zinc/58/93/50/1259589350.db2.gz NNURIWKEKIZTDN-UHFFFAOYSA-N 2 0 359.474 0.859 20 0 FCADRP COC(=O)[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1[NH3+] ZINC001236350255 1259591477 /nfs/dbraw/zinc/59/14/77/1259591477.db2.gz RGKLOHLSXRMNED-LSDHHAIUSA-N 2 0 358.446 0.128 20 0 FCADRP COC(=O)c1ccccc1NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239297198 1259624850 /nfs/dbraw/zinc/62/48/50/1259624850.db2.gz UEMBFWMDEFHNQU-UHFFFAOYSA-N 2 0 365.434 0.121 20 0 FCADRP O=C(c1ccc(-c2ccnc(N3CC[NH2+]CC3)n2)cc1)N1CC[NH2+]CC1 ZINC001240107731 1259625645 /nfs/dbraw/zinc/62/56/45/1259625645.db2.gz JMIQMFWKMKGFLB-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335367518 1259628120 /nfs/dbraw/zinc/62/81/20/1259628120.db2.gz NGUZTKLJPLCUCL-CRAIPNDOSA-N 2 0 364.490 0.610 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241897722 1259631825 /nfs/dbraw/zinc/63/18/25/1259631825.db2.gz FLVXDSLTMUUBCW-UHFFFAOYSA-N 2 0 369.473 0.630 20 0 FCADRP O=C(c1ccccc1NC[C@@H](O)CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001245962381 1259641439 /nfs/dbraw/zinc/64/14/39/1259641439.db2.gz XNIBPIPVGVKWHU-HNNXBMFYSA-N 2 0 362.474 0.009 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245984716 1259643106 /nfs/dbraw/zinc/64/31/06/1259643106.db2.gz XVCXYAZQDNHBAP-LTIDMASMSA-N 2 0 371.428 0.326 20 0 FCADRP COc1cccc(C2(NC[C@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001246009183 1259643317 /nfs/dbraw/zinc/64/33/17/1259643317.db2.gz SWFOQXFFDVSGIP-QGZVFWFLSA-N 2 0 363.502 0.729 20 0 FCADRP [NH3+]CCCNCCC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011255 1259643770 /nfs/dbraw/zinc/64/37/70/1259643770.db2.gz UEULPRNQBYLMEZ-IRXDYDNUSA-N 2 0 368.432 0.425 20 0 FCADRP O[C@H](C[NH2+]C1(Cc2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008379 1259643977 /nfs/dbraw/zinc/64/39/77/1259643977.db2.gz OZCLQMOGZDWXOI-SFHVURJKSA-N 3 0 365.493 0.946 20 0 FCADRP CCCC[C@@H](CC)COC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053253 1259646060 /nfs/dbraw/zinc/64/60/60/1259646060.db2.gz NLUXDGJMXGULPF-MSOLQXFVSA-N 3 0 374.570 0.696 20 0 FCADRP COc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246353843 1259652198 /nfs/dbraw/zinc/65/21/98/1259652198.db2.gz UYDBOVAUHQFJHL-MRXNPFEDSA-N 2 0 358.486 0.983 20 0 FCADRP Cc1cc(=O)oc2cc(NC(=O)C[NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)ccc12 ZINC001246395197 1259653107 /nfs/dbraw/zinc/65/31/07/1259653107.db2.gz LBEGDXIOQATSRW-CQSZACIVSA-N 2 0 356.426 0.724 20 0 FCADRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605580 1259657340 /nfs/dbraw/zinc/65/73/40/1259657340.db2.gz VGBGVZWWVKNHLU-PMPSAXMXSA-N 2 0 367.490 0.677 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597371 1259658210 /nfs/dbraw/zinc/65/82/10/1259658210.db2.gz UNBGNXCRXDDVDH-FPXQBCRKSA-N 2 0 367.490 0.535 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CN[C@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682890 1259659319 /nfs/dbraw/zinc/65/93/19/1259659319.db2.gz OMXKWMKCGSYKDT-QXGSTGNESA-N 2 0 367.490 0.535 20 0 FCADRP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001246690225 1259660377 /nfs/dbraw/zinc/66/03/77/1259660377.db2.gz BMBCOYLNLSVFHT-UHFFFAOYSA-N 2 0 374.533 0.968 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]C[C@@]4(CCCC(=O)N4)C3)C[C@H](C1)[NH2+]2 ZINC001246653106 1259660641 /nfs/dbraw/zinc/66/06/41/1259660641.db2.gz REJPUDYXAADQGH-AXGRQPESSA-N 2 0 364.490 0.003 20 0 FCADRP Cn1ccnc1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705048 1259663478 /nfs/dbraw/zinc/66/34/78/1259663478.db2.gz VRMXGKXZOBJAQX-HZPDHXFCSA-N 2 0 360.506 0.232 20 0 FCADRP O=C1COC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CN1c1ccccc1 ZINC001246706493 1259664871 /nfs/dbraw/zinc/66/48/71/1259664871.db2.gz VGYDFNRCAJAWEG-GOSISDBHSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246718238 1259668592 /nfs/dbraw/zinc/66/85/92/1259668592.db2.gz HELSZAKQCCNQKM-BDXSIMOUSA-N 2 0 371.485 0.137 20 0 FCADRP O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246728967 1259670377 /nfs/dbraw/zinc/67/03/77/1259670377.db2.gz VNQZYOAWKBFUDC-BRSBDYLESA-N 2 0 362.518 0.476 20 0 FCADRP Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246737435 1259672721 /nfs/dbraw/zinc/67/27/21/1259672721.db2.gz PZCDVOOUKKVAOE-IAGOWNOFSA-N 2 0 372.517 0.294 20 0 FCADRP Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246737431 1259672987 /nfs/dbraw/zinc/67/29/87/1259672987.db2.gz PZCDVOOUKKVAOE-DLBZAZTESA-N 2 0 372.517 0.294 20 0 FCADRP O=C([C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745360 1259677558 /nfs/dbraw/zinc/67/75/58/1259677558.db2.gz HBXCHCPYGRGWIS-IAGOWNOFSA-N 2 0 362.518 0.431 20 0 FCADRP Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246748441 1259680715 /nfs/dbraw/zinc/68/07/15/1259680715.db2.gz UDFBNHMAHIEUBI-NXHRZFHOSA-N 2 0 361.490 0.270 20 0 FCADRP c1nnn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246758561 1259682948 /nfs/dbraw/zinc/68/29/48/1259682948.db2.gz IDRMCZHOTXSTCL-RZRMAFQFSA-N 2 0 360.506 0.936 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762563 1259684086 /nfs/dbraw/zinc/68/40/86/1259684086.db2.gz CRKOVUBSJOZCQY-YECZKDOJSA-N 2 0 361.490 0.627 20 0 FCADRP c1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1ccccn1)C2 ZINC001246763386 1259685399 /nfs/dbraw/zinc/68/53/99/1259685399.db2.gz BWEGRHNYBQFKIJ-IAGOWNOFSA-N 2 0 368.485 0.883 20 0 FCADRP c1cnc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769755 1259685944 /nfs/dbraw/zinc/68/59/44/1259685944.db2.gz XZDLKLOCNPYQAD-PKOBYXMFSA-N 2 0 372.517 0.489 20 0 FCADRP Cn1cc(N2CC[C@]3(CCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768954 1259686128 /nfs/dbraw/zinc/68/61/28/1259686128.db2.gz CZPHAYVDRMAGDZ-YJBOKZPZSA-N 2 0 358.490 0.333 20 0 FCADRP CCOC[C@H]1C(=O)N(CC)CC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767815 1259687573 /nfs/dbraw/zinc/68/75/73/1259687573.db2.gz NQZCPUABAXGYKO-SJORKVTESA-N 2 0 364.534 0.677 20 0 FCADRP O=C([C@@H]1C[C@@]2(CO1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774334 1259689044 /nfs/dbraw/zinc/68/90/44/1259689044.db2.gz MLFYWZIFRMMWKH-ZYGVUQDESA-N 2 0 363.502 0.999 20 0 FCADRP COC(=O)c1ccc(CN2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246808268 1259691081 /nfs/dbraw/zinc/69/10/81/1259691081.db2.gz MYAGSGBTUGEFFA-SFHVURJKSA-N 2 0 358.486 0.685 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@H]1C2 ZINC001246868808 1259692383 /nfs/dbraw/zinc/69/23/83/1259692383.db2.gz LUGCLJYRGYCMRH-NHJAOSELSA-N 3 0 363.502 0.618 20 0 FCADRP O=C1[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246856114 1259693725 /nfs/dbraw/zinc/69/37/25/1259693725.db2.gz YBJOCYVYIQZPER-ZACQAIPSSA-N 2 0 354.454 0.197 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246924343 1259695710 /nfs/dbraw/zinc/69/57/10/1259695710.db2.gz IEYKAMUONCVZOS-MOPGFXCFSA-N 3 0 361.534 0.466 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4C[NH2+]CC[C@@H]4O)n3)c2)CC1 ZINC001247754555 1259704127 /nfs/dbraw/zinc/70/41/27/1259704127.db2.gz ANMUKWYDIVCWQQ-SJORKVTESA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C4=NOC5(C[NH2+]C5)C4)n3)c2)CC1 ZINC001247876794 1259706946 /nfs/dbraw/zinc/70/69/46/1259706946.db2.gz YCMUAYKMPVVTJK-UHFFFAOYSA-N 2 0 368.441 0.950 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C[C@H]4C[NH2+]CCN4)n3)c2)CC1 ZINC001248359633 1259710085 /nfs/dbraw/zinc/71/00/85/1259710085.db2.gz APSCTLQLNSNVII-KRWDZBQOSA-N 2 0 356.474 0.588 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(CNC(=O)[C@@H]4CCC[NH2+]4)n3)c2)CC1 ZINC001248980892 1259721116 /nfs/dbraw/zinc/72/11/16/1259721116.db2.gz BVHFGRYWVCSPDC-INIZCTEOSA-N 2 0 370.457 0.857 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(CC[C@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001249287126 1259721716 /nfs/dbraw/zinc/72/17/16/1259721716.db2.gz DVAOUJBXTQUNRM-HNNXBMFYSA-N 2 0 358.446 0.229 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016578 1259730142 /nfs/dbraw/zinc/73/01/42/1259730142.db2.gz XVLQBACUJVUOFT-AQNXPRMDSA-N 2 0 367.534 0.360 20 0 FCADRP CCOC(=O)C1CCC(O)(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001251058318 1259735642 /nfs/dbraw/zinc/73/56/42/1259735642.db2.gz UJDWFCCORSWEJC-UHFFFAOYSA-N 2 0 369.506 0.567 20 0 FCADRP C[NH+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001251892271 1259768963 /nfs/dbraw/zinc/76/89/63/1259768963.db2.gz QNXWTQPGLCLEMP-UHFFFAOYSA-N 2 0 361.490 0.745 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253182956 1259828031 /nfs/dbraw/zinc/82/80/31/1259828031.db2.gz WDUSKIFITCIXJY-TVFCKZIOSA-N 2 0 369.506 0.438 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001253864355 1259859627 /nfs/dbraw/zinc/85/96/27/1259859627.db2.gz TWWJLYHVKXURGE-RTBURBONSA-N 2 0 365.566 0.498 20 0 FCADRP CNC(=O)CN1CCC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254053584 1259870729 /nfs/dbraw/zinc/87/07/29/1259870729.db2.gz TYFCWTNNFMNFAN-UHFFFAOYSA-N 2 0 374.529 0.814 20 0 FCADRP Cn1cc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523858 1259890131 /nfs/dbraw/zinc/89/01/31/1259890131.db2.gz SBRWPDMUQWIVBQ-WNRNVDISSA-N 2 0 361.490 0.866 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[NH+](C)CC1)CC2 ZINC001254523655 1259890424 /nfs/dbraw/zinc/89/04/24/1259890424.db2.gz UYDQUFOILBQYJA-KRWDZBQOSA-N 2 0 360.502 0.821 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)[C@H]2CC[N@H+](C)C2)C1 ZINC001255424653 1259911217 /nfs/dbraw/zinc/91/12/17/1259911217.db2.gz ZKRVZRFIJXOUTL-UXJCHEOYSA-N 3 0 372.554 0.460 20 0 FCADRP Cc1cn(CC(=O)NCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(=O)[nH]c1=O ZINC001256563557 1259955897 /nfs/dbraw/zinc/95/58/97/1259955897.db2.gz BEPRWNMUQUCXJV-UHFFFAOYSA-N 2 0 365.478 0.226 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1CC[NH+](CC(C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001258020442 1260033195 /nfs/dbraw/zinc/03/31/95/1260033195.db2.gz TXPLTJORSQOHGH-GOSISDBHSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001261381018 1260129361 /nfs/dbraw/zinc/12/93/61/1260129361.db2.gz WNWPAJFISVZWOE-JXFKEZNVSA-N 2 0 360.502 0.987 20 0 FCADRP COCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001261493014 1260150286 /nfs/dbraw/zinc/15/02/86/1260150286.db2.gz GMTVIJQKBNJZGE-HOTGVXAUSA-N 2 0 366.506 0.109 20 0 FCADRP O=C(C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001331981497 1266311979 /nfs/dbraw/zinc/31/19/79/1266311979.db2.gz QUDIFHNRHDGBOJ-LJQANCHMSA-N 2 0 357.458 0.379 20 0 FCADRP O=C(NCc1nnc2n1CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336740261 1260211179 /nfs/dbraw/zinc/21/11/79/1260211179.db2.gz UNRBHTVBCYYPKY-IYBDPMFKSA-N 2 0 373.505 0.725 20 0 FCADRP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001336749642 1260213108 /nfs/dbraw/zinc/21/31/08/1260213108.db2.gz FVICAUCCLLIIRT-AEFFLSMTSA-N 2 0 351.491 0.798 20 0 FCADRP COCc1ncc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827015 1260231671 /nfs/dbraw/zinc/23/16/71/1260231671.db2.gz PIWYNGVWPPEALF-LJQANCHMSA-N 2 0 357.458 0.932 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001262065166 1260254705 /nfs/dbraw/zinc/25/47/05/1260254705.db2.gz SNEIUUGYNHGVHQ-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC001336943571 1260262956 /nfs/dbraw/zinc/26/29/56/1260262956.db2.gz YCYKIWVTFXPBML-IAGOWNOFSA-N 2 0 355.527 0.158 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001336963375 1260269614 /nfs/dbraw/zinc/26/96/14/1260269614.db2.gz MGFRPIKARCPBMN-UHFFFAOYSA-N 2 0 353.511 0.306 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001336961843 1260270009 /nfs/dbraw/zinc/27/00/09/1260270009.db2.gz UIAKTMMJOUHHIW-INIZCTEOSA-N 2 0 366.506 0.651 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(CO)CC1 ZINC001337103860 1260309363 /nfs/dbraw/zinc/30/93/63/1260309363.db2.gz CYOGXXZZIQXPMM-SFHVURJKSA-N 2 0 354.539 0.565 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001337158629 1260325036 /nfs/dbraw/zinc/32/50/36/1260325036.db2.gz OVTUGDPAWPAGKQ-KRWDZBQOSA-N 2 0 353.507 0.793 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001262568038 1260327453 /nfs/dbraw/zinc/32/74/53/1260327453.db2.gz KFMXNAGWASJMJD-KRWDZBQOSA-N 3 0 360.506 0.974 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)c2ccccc2)CC1 ZINC001263103055 1260341537 /nfs/dbraw/zinc/34/15/37/1260341537.db2.gz MPWUZBMKJPWUOM-QUCCMNQESA-N 2 0 360.502 0.596 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC001337308971 1260365200 /nfs/dbraw/zinc/36/52/00/1260365200.db2.gz GJRLVPALYJQKKT-QGPMSJSTSA-N 2 0 374.485 0.802 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC001337387444 1260386974 /nfs/dbraw/zinc/38/69/74/1260386974.db2.gz NJWMSJOLPTYSFX-JONQDZQNSA-N 2 0 354.495 0.188 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001272744462 1260496054 /nfs/dbraw/zinc/49/60/54/1260496054.db2.gz GHNHYWSHXOWPFD-IAGOWNOFSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001272825144 1260512586 /nfs/dbraw/zinc/51/25/86/1260512586.db2.gz OBKUEUURTQHIIJ-XSLAGTTESA-N 2 0 360.502 0.767 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272832762 1260513120 /nfs/dbraw/zinc/51/31/20/1260513120.db2.gz YVUMMAGQTFRZJL-FXAWDEMLSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@H]2CCCC[N@@H+]2C)C3)CC1 ZINC001273136541 1260600188 /nfs/dbraw/zinc/60/01/88/1260600188.db2.gz DJPQXRXLENYTOB-IAGOWNOFSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCCC3)C[C@H]21 ZINC001273141771 1260606090 /nfs/dbraw/zinc/60/60/90/1260606090.db2.gz SWVKENURBNLUGQ-OTWHNJEPSA-N 2 0 364.534 0.867 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001273140512 1260607085 /nfs/dbraw/zinc/60/70/85/1260607085.db2.gz IWVYOMBHUDIKGY-OTWHNJEPSA-N 2 0 364.534 0.867 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249679 1260634695 /nfs/dbraw/zinc/63/46/95/1260634695.db2.gz YVUMYGVVVBIGBD-AZUAARDMSA-N 2 0 366.550 0.973 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183991 1260686666 /nfs/dbraw/zinc/68/66/66/1260686666.db2.gz UWGHWHNNKNLLBI-WOJBJXKFSA-N 2 0 366.550 0.973 20 0 FCADRP O=C1CC[C@H](C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472464 1260695678 /nfs/dbraw/zinc/69/56/78/1260695678.db2.gz NMLVXHUGTDMRJB-DJIMGWMZSA-N 2 0 360.502 0.720 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@@H]2C1 ZINC001278508684 1260702685 /nfs/dbraw/zinc/70/26/85/1260702685.db2.gz YVEVMIMREHDKGS-HZPDHXFCSA-N 2 0 360.458 0.380 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)CC1 ZINC001332189202 1266353980 /nfs/dbraw/zinc/35/39/80/1266353980.db2.gz LLMLGCIWPOQXTH-UHFFFAOYSA-N 2 0 361.490 0.994 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001278769111 1260728768 /nfs/dbraw/zinc/72/87/68/1260728768.db2.gz ILUBEBZRQIBGFD-MOPGFXCFSA-N 2 0 360.502 0.835 20 0 FCADRP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccn(C)c(=O)c1 ZINC001279045149 1260782330 /nfs/dbraw/zinc/78/23/30/1260782330.db2.gz QISXUGQTJNROCF-NVXWUHKLSA-N 2 0 364.490 0.290 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279256809 1260813783 /nfs/dbraw/zinc/81/37/83/1260813783.db2.gz JPBPGRGLNUWIHD-JVPBZIDWSA-N 2 0 360.502 0.816 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@@H]2C1 ZINC001279309949 1260834689 /nfs/dbraw/zinc/83/46/89/1260834689.db2.gz QCMMBDWFJCCUTK-IAGOWNOFSA-N 2 0 362.474 0.648 20 0 FCADRP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)c[nH]1 ZINC001279320972 1260837134 /nfs/dbraw/zinc/83/71/34/1260837134.db2.gz CRGCSCHYKGDBNP-GJZGRUSLSA-N 2 0 360.458 0.834 20 0 FCADRP O=C1NC2(CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279468602 1260874881 /nfs/dbraw/zinc/87/48/81/1260874881.db2.gz WTTCYPNBUKWHAC-GVDBMIGSSA-N 2 0 359.474 0.601 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@H]3CN(C(=O)c4ncnn4C)C[C@@H](C2)O3)CC1 ZINC001279499158 1260879961 /nfs/dbraw/zinc/87/99/61/1260879961.db2.gz VSUYEWNFLHRRQP-IYBDPMFKSA-N 2 0 362.478 0.072 20 0 FCADRP Cn1c(=O)cccc1C(=O)N1CCC2(CN(C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279500953 1260880938 /nfs/dbraw/zinc/88/09/38/1260880938.db2.gz AARDFKGCMYDVTR-INIZCTEOSA-N 2 0 358.486 0.875 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CC[NH2+]CC4)CC3)[C@H]2C1 ZINC001279614831 1260899285 /nfs/dbraw/zinc/89/92/85/1260899285.db2.gz FYRKCAUMKQYBDU-ROUUACIJSA-N 3 0 363.550 0.060 20 0 FCADRP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@@H]21 ZINC001279619396 1260901972 /nfs/dbraw/zinc/90/19/72/1260901972.db2.gz AJPJJCYCMYHGHH-HOTGVXAUSA-N 2 0 362.478 0.072 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001279842754 1260941399 /nfs/dbraw/zinc/94/13/99/1260941399.db2.gz DHAGMTYLVLDZJN-MUJYYYPQSA-N 2 0 361.494 0.983 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2COCCC23C[NH+](C[C@H]2CCOC2)C3)CC1 ZINC001279895347 1260954301 /nfs/dbraw/zinc/95/43/01/1260954301.db2.gz ZHIAYTRAANAVEK-AEFFLSMTSA-N 2 0 365.518 0.914 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280091035 1260998381 /nfs/dbraw/zinc/99/83/81/1260998381.db2.gz DCPQREXQYYJKDF-UHFFFAOYSA-N 2 0 364.446 0.810 20 0 FCADRP Cn1c[nH+]cc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280121212 1261009479 /nfs/dbraw/zinc/00/94/79/1261009479.db2.gz XCUOOFKWVQNWOU-HZPDHXFCSA-N 2 0 354.458 0.965 20 0 FCADRP O=C(C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12)N1Cc2cncnc2C1 ZINC001280134919 1261013140 /nfs/dbraw/zinc/01/31/40/1261013140.db2.gz HAEGUGMPHZGHFJ-GOEBONIOSA-N 2 0 356.430 0.005 20 0 FCADRP O=C([C@@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1)N1Cc2cncnc2C1 ZINC001280135625 1261013699 /nfs/dbraw/zinc/01/36/99/1261013699.db2.gz PNDXQVRMGVTGFB-KRWDZBQOSA-N 2 0 357.458 0.552 20 0 FCADRP CC(=O)NCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169968 1261020112 /nfs/dbraw/zinc/02/01/12/1261020112.db2.gz OALUYELIYHMUBI-QUCCMNQESA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCC(C)(C[NH+]2CC3(C[C@@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280211619 1261034447 /nfs/dbraw/zinc/03/44/47/1261034447.db2.gz YUKDDQHUFUMBBJ-OAHLLOKOSA-N 2 0 358.490 0.674 20 0 FCADRP CCNC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215142 1261036366 /nfs/dbraw/zinc/03/63/66/1261036366.db2.gz KWGSYAIFJJETJD-XLIONFOSSA-N 2 0 362.518 0.921 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280221688 1261038714 /nfs/dbraw/zinc/03/87/14/1261038714.db2.gz ZWLIZJOMJGZUCD-IAGOWNOFSA-N 2 0 368.522 0.071 20 0 FCADRP CNc1nccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCC([NH+](C)C)CC3)C2)n1 ZINC001280291211 1261049657 /nfs/dbraw/zinc/04/96/57/1261049657.db2.gz WGTRYGJNWOWDRH-AUUYWEPGSA-N 2 0 358.490 0.893 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001281848953 1261232158 /nfs/dbraw/zinc/23/21/58/1261232158.db2.gz YRELWMFZVVAWNC-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852133 1261234682 /nfs/dbraw/zinc/23/46/82/1261234682.db2.gz QOBYGSSKHZVVOB-OAGGEKHMSA-N 2 0 368.522 0.256 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1OC ZINC001281857999 1261238576 /nfs/dbraw/zinc/23/85/76/1261238576.db2.gz XSTBQMFHXDSITA-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533797 1261473008 /nfs/dbraw/zinc/47/30/08/1261473008.db2.gz BKYGIDMPBVNDBL-WMZOPIPTSA-N 2 0 371.485 0.673 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533792 1261473131 /nfs/dbraw/zinc/47/31/31/1261473131.db2.gz BKYGIDMPBVNDBL-AEFFLSMTSA-N 2 0 371.485 0.673 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001332510953 1266419589 /nfs/dbraw/zinc/41/95/89/1266419589.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 2 0 364.542 0.620 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001345133701 1261640119 /nfs/dbraw/zinc/64/01/19/1261640119.db2.gz RHERXLMUZVDCGY-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP CN1CCN(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C[NH3+])C1 ZINC001345140869 1261640558 /nfs/dbraw/zinc/64/05/58/1261640558.db2.gz ILYKUHOMMMTWSV-LJQANCHMSA-N 2 0 374.533 0.218 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321093 1278122255 /nfs/dbraw/zinc/12/22/55/1278122255.db2.gz UFXUWDKPPWOCJW-XJKCOSOUSA-N 2 0 370.461 0.284 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001289191547 1262145356 /nfs/dbraw/zinc/14/53/56/1262145356.db2.gz IYOODOKKJIVDNI-IXDOHACOSA-N 2 0 368.522 0.281 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001289520016 1262235632 /nfs/dbraw/zinc/23/56/32/1262235632.db2.gz OMBUMQBFDLAXPP-JFIYKMOQSA-N 2 0 368.522 0.399 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859046 1262359331 /nfs/dbraw/zinc/35/93/31/1262359331.db2.gz KMXJEEVMBQSBDL-IXDOHACOSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001290533691 1262465701 /nfs/dbraw/zinc/46/57/01/1262465701.db2.gz GJSBAXHLCJRBTH-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304849592 1263151874 /nfs/dbraw/zinc/15/18/74/1263151874.db2.gz DSRNCRMCTGGAPP-GDBMZVCRSA-N 2 0 363.510 0.279 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001305210763 1263161246 /nfs/dbraw/zinc/16/12/46/1263161246.db2.gz WAWYWISFHNKNRZ-UHFFFAOYSA-N 2 0 365.518 0.937 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC001308300670 1263217478 /nfs/dbraw/zinc/21/74/78/1263217478.db2.gz OKALXDUAUUOYKE-UHFFFAOYSA-N 2 0 364.538 0.681 20 0 FCADRP CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001313400606 1263315171 /nfs/dbraw/zinc/31/51/71/1263315171.db2.gz FDJFBEBEOUSDSG-LJQANCHMSA-N 2 0 368.522 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001316614487 1263385744 /nfs/dbraw/zinc/38/57/44/1263385744.db2.gz GPODCCOWTFOYBR-VVLHAWIVSA-N 2 0 367.538 0.909 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)CC[N@@H+]1C ZINC001496978513 1263906170 /nfs/dbraw/zinc/90/61/70/1263906170.db2.gz FGDUXVNYEGGSGA-ZTFGCOKTSA-N 2 0 363.506 0.905 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001321316382 1263935220 /nfs/dbraw/zinc/93/52/20/1263935220.db2.gz FURNWSYVENRSHJ-MRXNPFEDSA-N 2 0 364.465 0.784 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001322598950 1264227238 /nfs/dbraw/zinc/22/72/38/1264227238.db2.gz WGDLITDUYNYUEI-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP COCC1=CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC001322993745 1264310546 /nfs/dbraw/zinc/31/05/46/1264310546.db2.gz OGUQFVARHLAJAT-INIZCTEOSA-N 2 0 364.490 0.076 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001324269367 1264607442 /nfs/dbraw/zinc/60/74/42/1264607442.db2.gz ZRJHGXGKFVWBLF-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001324566304 1264673400 /nfs/dbraw/zinc/67/34/00/1264673400.db2.gz ZBTZGGOBVKXIBZ-DLBZAZTESA-N 2 0 359.474 0.719 20 0 FCADRP CN(Cc1cc(F)cc(F)c1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001325199396 1264807127 /nfs/dbraw/zinc/80/71/27/1264807127.db2.gz FGXFBBWKZYKNKG-UHFFFAOYSA-N 2 0 370.444 0.875 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001580403650 1278236230 /nfs/dbraw/zinc/23/62/30/1278236230.db2.gz SCRAUXREHSBZIE-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CCO1 ZINC001325666460 1264964166 /nfs/dbraw/zinc/96/41/66/1264964166.db2.gz NLJGFYJZIYJPDL-YJBOKZPZSA-N 2 0 361.490 0.696 20 0 FCADRP CN(CC(F)F)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001326028692 1265046918 /nfs/dbraw/zinc/04/69/18/1265046918.db2.gz MRKOLGFCAFWJQL-UHFFFAOYSA-N 2 0 369.416 0.433 20 0 FCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC001326627443 1265146035 /nfs/dbraw/zinc/14/60/35/1265146035.db2.gz PYBUOLCEYSVLIP-SJORKVTESA-N 2 0 361.490 0.707 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](CC)CC ZINC001513552082 1265198558 /nfs/dbraw/zinc/19/85/58/1265198558.db2.gz GWORVQZHDBGYMI-ZACQAIPSSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001326996687 1265215001 /nfs/dbraw/zinc/21/50/01/1265215001.db2.gz OYNIAZMZCGZBGF-DLBZAZTESA-N 2 0 364.465 0.750 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001513581792 1265230984 /nfs/dbraw/zinc/23/09/84/1265230984.db2.gz AAUVWMAELBCZDO-ZACQAIPSSA-N 2 0 368.522 0.279 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001514020297 1265315874 /nfs/dbraw/zinc/31/58/74/1265315874.db2.gz KYUSRFDXIRTVSD-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001327486679 1265338917 /nfs/dbraw/zinc/33/89/17/1265338917.db2.gz PUNZLFKFLAETLR-UHFFFAOYSA-N 2 0 359.474 0.360 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001514933173 1265384803 /nfs/dbraw/zinc/38/48/03/1265384803.db2.gz GIQIQFZOWJTQPW-UHFFFAOYSA-N 2 0 354.524 0.718 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574108 1266432504 /nfs/dbraw/zinc/43/25/04/1266432504.db2.gz SIEFMBYCGFRACT-BZSNNMDCSA-N 2 0 367.538 0.694 20 0 FCADRP COC1(OC)CCOC[C@H]1[NH2+]C/C=C\C[NH2+][C@H]1COCCC1(OC)OC ZINC001335067712 1267312464 /nfs/dbraw/zinc/31/24/64/1267312464.db2.gz OBRSCBZUCDEMPQ-HNXFAEETSA-N 2 0 374.478 0.278 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC2)CC1 ZINC001542526486 1267498108 /nfs/dbraw/zinc/49/81/08/1267498108.db2.gz PJSKEULLUZDTFJ-OAHLLOKOSA-N 2 0 353.511 0.744 20 0 FCADRP Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001543292979 1267539664 /nfs/dbraw/zinc/53/96/64/1267539664.db2.gz INUIWETZVJJESH-OAHLLOKOSA-N 2 0 360.510 0.982 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001548924337 1267772055 /nfs/dbraw/zinc/77/20/55/1267772055.db2.gz NLFZIHRBCAHKOY-LJQANCHMSA-N 2 0 358.486 0.860 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@@H]1c1ccccc1F ZINC001548937862 1267774377 /nfs/dbraw/zinc/77/43/77/1267774377.db2.gz ISLIZTGDYFYAKY-JGGQBBKZSA-N 2 0 358.421 0.909 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3[N@@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC001548998237 1267785199 /nfs/dbraw/zinc/78/51/99/1267785199.db2.gz UJPVBCHESYDOQR-RCCFBDPRSA-N 2 0 373.501 0.551 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001549042900 1267794218 /nfs/dbraw/zinc/79/42/18/1267794218.db2.gz FEWMTZJGDPAUOH-GJZGRUSLSA-N 2 0 369.462 0.246 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@@H]2[NH3+])cn1 ZINC001549074331 1267799206 /nfs/dbraw/zinc/79/92/06/1267799206.db2.gz QTMYBDOWCQJVDP-IRXDYDNUSA-N 2 0 361.490 0.708 20 0 FCADRP [NH3+][C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549073529 1267799232 /nfs/dbraw/zinc/79/92/32/1267799232.db2.gz MNEXIWZYXGSFND-CEXWTWQISA-N 2 0 369.469 0.391 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC001549140505 1267821669 /nfs/dbraw/zinc/82/16/69/1267821669.db2.gz ZXGCILHBXLVKIT-DOTOQJQBSA-N 2 0 366.506 0.014 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]2[NH3+])c1 ZINC001549736228 1267982169 /nfs/dbraw/zinc/98/21/69/1267982169.db2.gz QYUXGQGLPBXIJX-IRXDYDNUSA-N 2 0 353.470 0.995 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001549740202 1267984727 /nfs/dbraw/zinc/98/47/27/1267984727.db2.gz ISUMEJNOYKASID-DLBZAZTESA-N 2 0 374.489 0.011 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549739300 1267984787 /nfs/dbraw/zinc/98/47/87/1267984787.db2.gz OWBONCLDJUTHOU-FUHIMQAGSA-N 2 0 356.470 0.984 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)C1=O ZINC001549754719 1267988719 /nfs/dbraw/zinc/98/87/19/1267988719.db2.gz NGSNUZYYHMZIFZ-INIZCTEOSA-N 2 0 374.489 0.302 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001549776884 1267997453 /nfs/dbraw/zinc/99/74/53/1267997453.db2.gz PYBVXPMLJJOOAX-ZBFHGGJFSA-N 2 0 356.467 0.481 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704218 1268052777 /nfs/dbraw/zinc/05/27/77/1268052777.db2.gz MTHXPGADVIOLEP-RHSMWYFYSA-N 2 0 350.463 0.409 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2 ZINC001550067198 1268067701 /nfs/dbraw/zinc/06/77/01/1268067701.db2.gz AABVKBLNLUKXAP-GDLVEWKHSA-N 2 0 354.405 0.951 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@H]2[NH3+])cn1 ZINC001550067325 1268068493 /nfs/dbraw/zinc/06/84/93/1268068493.db2.gz OBDJVKLZNOQSKZ-KGLIPLIRSA-N 2 0 360.487 0.911 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001550117373 1268078926 /nfs/dbraw/zinc/07/89/26/1268078926.db2.gz ZCVHXLIIPCICRH-WMZOPIPTSA-N 2 0 355.486 0.886 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116798 1268079296 /nfs/dbraw/zinc/07/92/96/1268079296.db2.gz RVCDWJQJVUJLEP-SJORKVTESA-N 2 0 360.506 0.578 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC001550202113 1268090210 /nfs/dbraw/zinc/09/02/10/1268090210.db2.gz OZBWQRCFTZUOCV-YOEHRIQHSA-N 2 0 356.430 0.608 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC001550199479 1268091642 /nfs/dbraw/zinc/09/16/42/1268091642.db2.gz FCKDWVADUGINAV-WBVHZDCISA-N 2 0 370.457 0.998 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550199461 1268091775 /nfs/dbraw/zinc/09/17/75/1268091775.db2.gz BNRZENUSIZUTKT-IAGOWNOFSA-N 2 0 362.518 0.955 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001550286464 1268103894 /nfs/dbraw/zinc/10/38/94/1268103894.db2.gz VOFLJWWTUAXALK-BBWFWOEESA-N 2 0 366.506 0.601 20 0 FCADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[N@H+](C)C1 ZINC001550284096 1268103936 /nfs/dbraw/zinc/10/39/36/1268103936.db2.gz WPTIBACBVAXERB-BZUAXINKSA-N 2 0 354.495 0.506 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CCC([NH+]3CCC3)CC2)n1 ZINC001550401031 1268111528 /nfs/dbraw/zinc/11/15/28/1268111528.db2.gz LJHQQCFQEJGSLE-GOSISDBHSA-N 2 0 374.533 0.866 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@H]2[NH3+])c1 ZINC001550742599 1268158997 /nfs/dbraw/zinc/15/89/97/1268158997.db2.gz ZNSOLTAXNXZLFT-IAGOWNOFSA-N 2 0 354.458 0.702 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)C[C@H]2C1 ZINC001550743310 1268160023 /nfs/dbraw/zinc/16/00/23/1268160023.db2.gz BITNVTWBSGSQQF-SRABZTEZSA-N 2 0 361.494 0.684 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2F)C1 ZINC001550752718 1268162025 /nfs/dbraw/zinc/16/20/25/1268162025.db2.gz VRBABNAVJMSNEF-BRWVUGGUSA-N 2 0 350.438 0.805 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C[C@@H]1F ZINC001550756911 1268162711 /nfs/dbraw/zinc/16/27/11/1268162711.db2.gz NDSPXNWPGTVDCJ-ILXRZTDVSA-N 2 0 351.426 0.712 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001550754470 1268162964 /nfs/dbraw/zinc/16/29/64/1268162964.db2.gz KLVMEMRCCHKNGM-DJIMGWMZSA-N 2 0 359.474 0.963 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)C[C@H]2[NH3+])c1 ZINC001550757318 1268163318 /nfs/dbraw/zinc/16/33/18/1268163318.db2.gz OBSABRILQINBQQ-GVDBMIGSSA-N 2 0 354.458 0.571 20 0 FCADRP C[NH+]1CCCC[C@H]1CNC(=O)CSCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339153245 1268177086 /nfs/dbraw/zinc/17/70/86/1268177086.db2.gz PDCCVSRQSADDHS-IYBDPMFKSA-N 2 0 370.563 0.921 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913113 1268184316 /nfs/dbraw/zinc/18/43/16/1268184316.db2.gz JRNAKUKEVNOGBT-BQFCYCMXSA-N 2 0 351.491 0.809 20 0 FCADRP COc1ccccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912733 1268184714 /nfs/dbraw/zinc/18/47/14/1268184714.db2.gz KBALLBZANOPXOF-DNVCBOLYSA-N 2 0 360.458 0.870 20 0 FCADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980911 1268189709 /nfs/dbraw/zinc/18/97/09/1268189709.db2.gz SKYUHVKHZZRSFE-BRWVUGGUSA-N 2 0 354.495 0.600 20 0 FCADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980913 1268189930 /nfs/dbraw/zinc/18/99/30/1268189930.db2.gz SKYUHVKHZZRSFE-IXDOHACOSA-N 2 0 354.495 0.600 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001551099960 1268205303 /nfs/dbraw/zinc/20/53/03/1268205303.db2.gz KLTNRBPSSPTJSJ-OKYOBFRVSA-N 2 0 365.518 0.791 20 0 FCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@@H]2O)CC1 ZINC001551223291 1268214971 /nfs/dbraw/zinc/21/49/71/1268214971.db2.gz GCYQBKRAMQWURY-DZKIICNBSA-N 2 0 351.495 0.437 20 0 FCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](c3nn(C)c(=O)n3C)C[C@H]2O)CC1 ZINC001551224146 1268215051 /nfs/dbraw/zinc/21/50/51/1268215051.db2.gz RTKYRGRXUWLQDA-IJEWVQPXSA-N 2 0 351.495 0.436 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC001551469174 1268258004 /nfs/dbraw/zinc/25/80/04/1268258004.db2.gz WWMGUFKBASCDJG-OALUTQOASA-N 2 0 357.502 0.985 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551517747 1268262961 /nfs/dbraw/zinc/26/29/61/1268262961.db2.gz HKQBRFBGJIHPBB-HKUYNNGSSA-N 2 0 373.501 0.853 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551542341 1268264866 /nfs/dbraw/zinc/26/48/66/1268264866.db2.gz BQRHJOYQKMLPJI-QHSBEEBCSA-N 2 0 362.396 0.691 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558801 1268269628 /nfs/dbraw/zinc/26/96/28/1268269628.db2.gz ZZGHDCKRVWYHKF-WBVHZDCISA-N 2 0 365.522 0.759 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558794 1268270248 /nfs/dbraw/zinc/27/02/48/1268270248.db2.gz ZZGHDCKRVWYHKF-DOTOQJQBSA-N 2 0 365.522 0.759 20 0 FCADRP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001551563333 1268271404 /nfs/dbraw/zinc/27/14/04/1268271404.db2.gz VZSIIGNUSBSWAB-QEJZJMRPSA-N 2 0 361.412 0.218 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551567671 1268273533 /nfs/dbraw/zinc/27/35/33/1268273533.db2.gz HJRFPDMVJPCKKJ-SJLPKXTDSA-N 2 0 365.522 0.805 20 0 FCADRP CCCN(C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001551574833 1268274234 /nfs/dbraw/zinc/27/42/34/1268274234.db2.gz DJQNYXKQRNUELX-FUHWJXTLSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551573479 1268274311 /nfs/dbraw/zinc/27/43/11/1268274311.db2.gz WPEXEXJTEZOHMR-ZOBUZTSGSA-N 2 0 351.495 0.417 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551575161 1268274563 /nfs/dbraw/zinc/27/45/63/1268274563.db2.gz FLLMDZBHYIGZLJ-DOTOQJQBSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001551576850 1268275552 /nfs/dbraw/zinc/27/55/52/1268275552.db2.gz JZOHUDBRKJZIJA-VDZJLULYSA-N 2 0 363.506 0.418 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551578932 1268276324 /nfs/dbraw/zinc/27/63/24/1268276324.db2.gz NNSGRSRBZVPQOC-RDJZCZTQSA-N 2 0 351.495 0.322 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551578215 1268276367 /nfs/dbraw/zinc/27/63/67/1268276367.db2.gz MKYMQPZVTMQOMD-UWWQBHOKSA-N 2 0 365.522 0.664 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001551579580 1268276989 /nfs/dbraw/zinc/27/69/89/1268276989.db2.gz OLOIHBWJTWOMMI-JWDQPFGJSA-N 2 0 351.495 0.402 20 0 FCADRP CC1(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001551579635 1268277434 /nfs/dbraw/zinc/27/74/34/1268277434.db2.gz ORKZVYQVKHCPPU-HOCLYGCPSA-N 2 0 351.495 0.322 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001551579759 1268277563 /nfs/dbraw/zinc/27/75/63/1268277563.db2.gz PCLYYCGTXHXOAG-WDYCEAGBSA-N 2 0 363.506 0.418 20 0 FCADRP C[NH+](C)C1CC(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551582051 1268277841 /nfs/dbraw/zinc/27/78/41/1268277841.db2.gz SVWSSPKWGDQOOT-WYUQMZMFSA-N 2 0 351.495 0.273 20 0 FCADRP CN(C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC001551580465 1268277906 /nfs/dbraw/zinc/27/79/06/1268277906.db2.gz PXSJAQMQNSCFDU-UMPYDWHISA-N 2 0 351.495 0.545 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001551586981 1268279908 /nfs/dbraw/zinc/27/99/08/1268279908.db2.gz DELBOVHUZPBTER-SOLBZPMBSA-N 2 0 363.506 0.513 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551589980 1268280903 /nfs/dbraw/zinc/28/09/03/1268280903.db2.gz JFAZLCHBAXBQQS-QILLFSRXSA-N 2 0 365.522 0.616 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC3CC4(C[C@H]4[NH3+])C3)cn2)CC1 ZINC001551602019 1268283418 /nfs/dbraw/zinc/28/34/18/1268283418.db2.gz YLGKPMIFKZKWJW-KOHRHEQBSA-N 2 0 358.490 0.903 20 0 FCADRP CN(CC(C)(C)CN1CCOCC1)c1nnc(C2=[NH+]O[C@H](CO)C2)n1C ZINC001339791702 1268331389 /nfs/dbraw/zinc/33/13/89/1268331389.db2.gz ZNCWEFQCDRQCSO-ZDUSSCGKSA-N 2 0 366.466 0.095 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3cnn(C)c3C)C2)CC1 ZINC001552088562 1268367318 /nfs/dbraw/zinc/36/73/18/1268367318.db2.gz UXVVOVJMPBEZLR-NZSAHSFTSA-N 2 0 374.533 0.270 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCCc3cc(C[NH3+])ccc32)nn1 ZINC001552163070 1268396570 /nfs/dbraw/zinc/39/65/70/1268396570.db2.gz SVKZUNVWEJNALD-CRAIPNDOSA-N 2 0 370.457 0.418 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC001552162818 1268396631 /nfs/dbraw/zinc/39/66/31/1268396631.db2.gz HRFBWCRUHVDLGB-YESZJQIVSA-N 2 0 357.458 0.856 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)C[C@H]1C ZINC001552168324 1268400605 /nfs/dbraw/zinc/40/06/05/1268400605.db2.gz UEDYAMQKRZKOFJ-AESZEHBQSA-N 2 0 364.494 0.311 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCCN2CCC([NH+](C)C)CC2)cnn1C ZINC001552168217 1268401154 /nfs/dbraw/zinc/40/11/54/1268401154.db2.gz PRBDRZOXPPTYQX-ZWKOTPCHSA-N 2 0 362.522 0.174 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552202167 1268408086 /nfs/dbraw/zinc/40/80/86/1268408086.db2.gz BUAIZRWHICNVGJ-PZJWPPBQSA-N 2 0 372.513 0.676 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552216260 1268413481 /nfs/dbraw/zinc/41/34/81/1268413481.db2.gz MUFZKGYVMGRDFO-BZUAXINKSA-N 2 0 358.421 0.827 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)nn1 ZINC001552257243 1268423543 /nfs/dbraw/zinc/42/35/43/1268423543.db2.gz LAYUAVXAPMYNNT-CIRFHOKZSA-N 2 0 370.457 0.281 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)C[C@@H](C)O1 ZINC001552283482 1268431904 /nfs/dbraw/zinc/43/19/04/1268431904.db2.gz STLBQZHIQPIIEJ-NUJGCVRESA-N 2 0 353.507 0.960 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437448 1268462999 /nfs/dbraw/zinc/46/29/99/1268462999.db2.gz ZFWXRTCMLFCDRD-KRWDZBQOSA-N 2 0 369.473 0.910 20 0 FCADRP Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438532 1268464253 /nfs/dbraw/zinc/46/42/53/1268464253.db2.gz MPJCWWSXIICKMY-CVEARBPZSA-N 2 0 362.478 0.448 20 0 FCADRP Cc1c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438535 1268464906 /nfs/dbraw/zinc/46/49/06/1268464906.db2.gz MPJCWWSXIICKMY-JKSUJKDBSA-N 2 0 362.478 0.448 20 0 FCADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001552553364 1268475857 /nfs/dbraw/zinc/47/58/57/1268475857.db2.gz AJAGPKKCBLOGHS-HUUCEWRRSA-N 2 0 363.510 0.658 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001552603652 1268486273 /nfs/dbraw/zinc/48/62/73/1268486273.db2.gz LGBXHHBTOVHPAU-SJORKVTESA-N 2 0 363.510 0.897 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1n1ccnn1 ZINC001552610476 1268492140 /nfs/dbraw/zinc/49/21/40/1268492140.db2.gz RCZNLHYSVHZKJO-DLBZAZTESA-N 2 0 361.494 0.792 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001552652793 1268509392 /nfs/dbraw/zinc/50/93/92/1268509392.db2.gz OOIFKABZYOFCFT-KBPBESRZSA-N 2 0 361.454 0.055 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001340321389 1268509915 /nfs/dbraw/zinc/50/99/15/1268509915.db2.gz XOKRXKDPVMAAJQ-OAGGEKHMSA-N 2 0 359.536 0.732 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC001552849300 1268559370 /nfs/dbraw/zinc/55/93/70/1268559370.db2.gz JKKUYZKFLCXFMW-GASCZTMLSA-N 3 0 363.510 0.014 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC001552910917 1268565250 /nfs/dbraw/zinc/56/52/50/1268565250.db2.gz HLCTZLBWZMQVFE-SFHVURJKSA-N 2 0 372.517 0.343 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)C2 ZINC001552996893 1268574568 /nfs/dbraw/zinc/57/45/68/1268574568.db2.gz WSWJLJFYGNFOKL-DWRORGKVSA-N 2 0 368.522 0.222 20 0 FCADRP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376641 1268640794 /nfs/dbraw/zinc/64/07/94/1268640794.db2.gz XELFAZCZVBFEHX-YEWWUXTCSA-N 2 0 365.499 0.809 20 0 FCADRP CN(C)C(=O)COc1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553389572 1268643341 /nfs/dbraw/zinc/64/33/41/1268643341.db2.gz MYFSQNRHPARKHK-OXQOHEQNSA-N 2 0 374.485 0.311 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001553456530 1268653969 /nfs/dbraw/zinc/65/39/69/1268653969.db2.gz CPAYRXWRLYBURU-BEFAXECRSA-N 2 0 365.522 0.746 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553500544 1268659293 /nfs/dbraw/zinc/65/92/93/1268659293.db2.gz DUCGHWVYCBWJTL-BZUAXINKSA-N 2 0 352.479 0.211 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCO[C@H]2C2CC[NH2+]CC2)CC12CCOCC2 ZINC001553501558 1268659671 /nfs/dbraw/zinc/65/96/71/1268659671.db2.gz HGJOKTBOCRZTEM-XHSDSOJGSA-N 2 0 352.479 0.293 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001553523140 1268662494 /nfs/dbraw/zinc/66/24/94/1268662494.db2.gz ACGSBTIIHHVGHP-YCPHGPKFSA-N 2 0 361.494 0.316 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001553518121 1268663115 /nfs/dbraw/zinc/66/31/15/1268663115.db2.gz MEPQTCPLNYHVFZ-MJEQTWJJSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553525235 1268664393 /nfs/dbraw/zinc/66/43/93/1268664393.db2.gz GXGHPHQTUMCWEW-GJZGRUSLSA-N 2 0 351.495 0.357 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@H]21 ZINC001553531938 1268665016 /nfs/dbraw/zinc/66/50/16/1268665016.db2.gz VGBCWUBACIYAAK-RTBURBONSA-N 2 0 357.502 0.937 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)C1 ZINC001553547943 1268667863 /nfs/dbraw/zinc/66/78/63/1268667863.db2.gz IEAWZYJONNGQAA-HYVNUMGLSA-N 2 0 358.490 0.806 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001340892325 1268696219 /nfs/dbraw/zinc/69/62/19/1268696219.db2.gz DVAXHEUORUCWCF-HNNXBMFYSA-N 2 0 351.520 0.920 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)cc2)[nH]1 ZINC001554035216 1268744965 /nfs/dbraw/zinc/74/49/65/1268744965.db2.gz GAGKKMCBTUULOS-GFCCVEGCSA-N 2 0 353.390 0.309 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001341099551 1268784161 /nfs/dbraw/zinc/78/41/61/1268784161.db2.gz ZDSTZIFBAALAES-GDBMZVCRSA-N 2 0 350.463 0.630 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341102548 1268785167 /nfs/dbraw/zinc/78/51/67/1268785167.db2.gz JSKIEWLITPPGQZ-AEGPPILISA-N 2 0 369.535 0.204 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCCC[NH2+]2)CC1=O ZINC001341549497 1269074216 /nfs/dbraw/zinc/07/42/16/1269074216.db2.gz JTYAJKNGQJYIDU-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341634279 1269122432 /nfs/dbraw/zinc/12/24/32/1269122432.db2.gz NHXNCKNVNMWHJX-MRXNPFEDSA-N 2 0 350.463 0.874 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001341741823 1269181746 /nfs/dbraw/zinc/18/17/46/1269181746.db2.gz JGIQGMVJEXQQLY-UHFFFAOYSA-N 2 0 362.478 0.689 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001342091608 1269342098 /nfs/dbraw/zinc/34/20/98/1269342098.db2.gz YUTGYPRQJIFLTK-IRXDYDNUSA-N 2 0 368.522 0.281 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001342218493 1269401945 /nfs/dbraw/zinc/40/19/45/1269401945.db2.gz IMSBXAFEIFMWHQ-JFIYKMOQSA-N 2 0 364.465 0.877 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342363710 1269444105 /nfs/dbraw/zinc/44/41/05/1269444105.db2.gz POSIQPRISCDGHD-ULQDDVLXSA-N 2 0 360.458 0.983 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001566049509 1269581203 /nfs/dbraw/zinc/58/12/03/1269581203.db2.gz GWTZHTRJCZUKJJ-SOLBZPMBSA-N 2 0 352.523 0.878 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001566052945 1269586212 /nfs/dbraw/zinc/58/62/12/1269586212.db2.gz PCPDZIWPECTLHH-IKGGRYGDSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001566054184 1269588093 /nfs/dbraw/zinc/58/80/93/1269588093.db2.gz PVPRJSBDHWYUCI-ZACQAIPSSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC001566538869 1269650857 /nfs/dbraw/zinc/65/08/57/1269650857.db2.gz MEHJCTDWWAANTJ-SFHVURJKSA-N 2 0 366.550 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3CCCC3=O)CCCC2)CC[N@@H+]1C ZINC001568236067 1269722963 /nfs/dbraw/zinc/72/29/63/1269722963.db2.gz ZVXFNOUBDNPNOB-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001570480013 1269891094 /nfs/dbraw/zinc/89/10/94/1269891094.db2.gz UEOASAUEHFXDFY-IXDOHACOSA-N 2 0 369.506 0.027 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001343438383 1269909560 /nfs/dbraw/zinc/90/95/60/1269909560.db2.gz DSBGELOLVRTSKS-HZPDHXFCSA-N 2 0 362.474 0.890 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O)C1CCC1 ZINC001343477902 1269921547 /nfs/dbraw/zinc/92/15/47/1269921547.db2.gz YRYSPAMWCOUODI-SJORKVTESA-N 2 0 371.441 0.120 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001572998809 1270477856 /nfs/dbraw/zinc/47/78/56/1270477856.db2.gz SSTSFDGGKJWMES-CABCVRRESA-N 2 0 365.478 0.036 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001573062268 1270583226 /nfs/dbraw/zinc/58/32/26/1270583226.db2.gz DFXBZFRTADBGCY-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC001573066774 1270587844 /nfs/dbraw/zinc/58/78/44/1270587844.db2.gz BJUFBSHUDIFFJQ-NUJGCVRESA-N 2 0 352.523 0.974 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001580611470 1278569917 /nfs/dbraw/zinc/56/99/17/1278569917.db2.gz KQTLGHAWCPKXDT-MRXNPFEDSA-N 2 0 352.479 0.404 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573976083 1270970567 /nfs/dbraw/zinc/97/05/67/1270970567.db2.gz WCSWDUFZFQQYIS-HZPDHXFCSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573977460 1270971763 /nfs/dbraw/zinc/97/17/63/1270971763.db2.gz NTYIFAAENXTQKL-SWLSCSKDSA-N 2 0 360.466 0.577 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028273 1271009739 /nfs/dbraw/zinc/00/97/39/1271009739.db2.gz PMFAAWLNKWZCGR-WFASDCNBSA-N 2 0 358.450 0.188 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209261 1271094862 /nfs/dbraw/zinc/09/48/62/1271094862.db2.gz DGAPWVXPOQEHOM-CJNGLKHVSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574259807 1271129301 /nfs/dbraw/zinc/12/93/01/1271129301.db2.gz AKAXQDUIOOBEIZ-UHFFFAOYSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574260842 1271134760 /nfs/dbraw/zinc/13/47/60/1271134760.db2.gz ZBKIZELYSKYXKB-UHFFFAOYSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574265024 1271141474 /nfs/dbraw/zinc/14/14/74/1271141474.db2.gz WHHSKDBVPIZHKC-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP O=C(NC[C@H]1CCC2(C[NH2+]C2)O1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001580646007 1278622624 /nfs/dbraw/zinc/62/26/24/1278622624.db2.gz QNGXYNJKAVRURV-HZPDHXFCSA-N 2 0 352.479 0.450 20 0 FCADRP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574542901 1271323843 /nfs/dbraw/zinc/32/38/43/1271323843.db2.gz GHZJIJXAOPGSDP-QWHCGFSZSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596085 1271397641 /nfs/dbraw/zinc/39/76/41/1271397641.db2.gz HVTDGTFZHVVAGB-XJKSGUPXSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598412 1271402059 /nfs/dbraw/zinc/40/20/59/1271402059.db2.gz QJKMWLZKIZYRDW-BBRMVZONSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853772 1271603618 /nfs/dbraw/zinc/60/36/18/1271603618.db2.gz FAXHLXINFXLGOU-CYBMUJFWSA-N 2 0 370.461 0.476 20 0 FCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574853629 1271603677 /nfs/dbraw/zinc/60/36/77/1271603677.db2.gz RGRXJWKVZVNBMZ-NSHDSACASA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574854450 1271606570 /nfs/dbraw/zinc/60/65/70/1271606570.db2.gz MNDFJBRVQNIIFV-CYBMUJFWSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877493 1271639878 /nfs/dbraw/zinc/63/98/78/1271639878.db2.gz SGLICDYCEWUKKV-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884264 1271642045 /nfs/dbraw/zinc/64/20/45/1271642045.db2.gz FVYXWWXEAVSRGE-SWLSCSKDSA-N 2 0 370.461 0.190 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574886654 1271646689 /nfs/dbraw/zinc/64/66/89/1271646689.db2.gz NQNSCAOUCQBSJY-DYVFJYSZSA-N 2 0 369.473 0.803 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575115036 1271728205 /nfs/dbraw/zinc/72/82/05/1271728205.db2.gz MENNBXOTJJKSCN-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001575216435 1271795985 /nfs/dbraw/zinc/79/59/85/1271795985.db2.gz SDHQDVHAASSFFE-AWEZNQCLSA-N 2 0 356.467 0.080 20 0 FCADRP CC(C)([NH3+])CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001575354480 1271979847 /nfs/dbraw/zinc/97/98/47/1271979847.db2.gz UCJMNCRHIGQWJB-UHFFFAOYSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575385482 1272030831 /nfs/dbraw/zinc/03/08/31/1272030831.db2.gz NPCSEGVJPZKSNC-ZIAGYGMSSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567128 1272203062 /nfs/dbraw/zinc/20/30/62/1272203062.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 2 0 364.494 0.238 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C3(O)CC[NH2+]CC3)CCC2)C1 ZINC001575600763 1272225911 /nfs/dbraw/zinc/22/59/11/1272225911.db2.gz JUNYHOIBRMIWHK-INIZCTEOSA-N 2 0 353.507 0.744 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC001575698004 1272316855 /nfs/dbraw/zinc/31/68/55/1272316855.db2.gz KIRGKBPZRHKKRJ-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1CC(C)(C)C[NH+](C)C ZINC001575714993 1272358667 /nfs/dbraw/zinc/35/86/67/1272358667.db2.gz FUDWFNSXFSVKRN-AWEZNQCLSA-N 2 0 365.526 0.932 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1CC(C)(C)C[NH+](C)C ZINC001575714996 1272358680 /nfs/dbraw/zinc/35/86/80/1272358680.db2.gz FUDWFNSXFSVKRN-CQSZACIVSA-N 2 0 365.526 0.932 20 0 FCADRP C[C@H](C[NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001575995854 1272666878 /nfs/dbraw/zinc/66/68/78/1272666878.db2.gz GARNEADLQVGZFI-KFWWJZLASA-N 2 0 361.494 0.499 20 0 FCADRP C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC001576007244 1272693511 /nfs/dbraw/zinc/69/35/11/1272693511.db2.gz AGDVMJVTFMAMIM-MRXNPFEDSA-N 2 0 371.489 0.718 20 0 FCADRP C[C@@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001576009333 1272703191 /nfs/dbraw/zinc/70/31/91/1272703191.db2.gz ZQGVUJKSNLCJIR-HLLBOEOZSA-N 2 0 362.522 0.982 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001576044989 1272769973 /nfs/dbraw/zinc/76/99/73/1272769973.db2.gz JJOBEYISXUTLMI-STQMWFEESA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H]([NH3+])C1(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CCOCC1 ZINC001576107179 1272893444 /nfs/dbraw/zinc/89/34/44/1272893444.db2.gz DQGOXCWBIOXDEL-ZACQAIPSSA-N 2 0 352.523 0.805 20 0 FCADRP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[N@H+](C)CCN1C ZINC001576207662 1272990174 /nfs/dbraw/zinc/99/01/74/1272990174.db2.gz QBVDLHLNULUBQQ-HRCADAONSA-N 2 0 353.511 0.079 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001576254784 1273037417 /nfs/dbraw/zinc/03/74/17/1273037417.db2.gz FTIOUOCLDWLPGF-DZGCQCFKSA-N 2 0 372.477 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256065 1273039575 /nfs/dbraw/zinc/03/95/75/1273039575.db2.gz NRCHBYZZIQQMRK-ZIAGYGMSSA-N 2 0 370.461 0.286 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCc2cn[nH]n2)C1 ZINC001576479191 1273318530 /nfs/dbraw/zinc/31/85/30/1273318530.db2.gz FKFGGGHZRBZLBW-QGZVFWFLSA-N 2 0 352.483 0.022 20 0 FCADRP CC[C@H](C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576484007 1273327452 /nfs/dbraw/zinc/32/74/52/1273327452.db2.gz YINORSSIRZKJJC-MRXNPFEDSA-N 2 0 374.493 0.983 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491369 1273347747 /nfs/dbraw/zinc/34/77/47/1273347747.db2.gz XQYLVVQXKQCVCD-CZUORRHYSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497085 1273353265 /nfs/dbraw/zinc/35/32/65/1273353265.db2.gz BSCYYSOXCZPUAQ-HZPDHXFCSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC001576499042 1273359615 /nfs/dbraw/zinc/35/96/15/1273359615.db2.gz HLMJBFUOIXODIL-HNNXBMFYSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501125 1273365650 /nfs/dbraw/zinc/36/56/50/1273365650.db2.gz VFPLGFHCXIQUOY-QOZQQMKHSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576508273 1273379810 /nfs/dbraw/zinc/37/98/10/1273379810.db2.gz GQMCLOSDRVQUOB-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576508996 1273382344 /nfs/dbraw/zinc/38/23/44/1273382344.db2.gz RADCBHFGHRGBOB-DOMZBBRYSA-N 2 0 360.466 0.721 20 0 FCADRP CC[C@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[NH+](C)C ZINC001576513401 1273393020 /nfs/dbraw/zinc/39/30/20/1273393020.db2.gz BHOOMBJRHHVSDD-OAHLLOKOSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCCO)CC1 ZINC001576517814 1273403020 /nfs/dbraw/zinc/40/30/20/1273403020.db2.gz URINKKPGCXTLAF-UHFFFAOYSA-N 2 0 352.483 0.322 20 0 FCADRP CC[C@H](C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576520602 1273404052 /nfs/dbraw/zinc/40/40/52/1273404052.db2.gz PWIHGDUXGFSAQM-RDTXWAMCSA-N 2 0 372.477 0.995 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557684 1273437812 /nfs/dbraw/zinc/43/78/12/1273437812.db2.gz SRTJVGMIJOTPLW-HZPDHXFCSA-N 2 0 362.478 0.181 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001576605955 1273475585 /nfs/dbraw/zinc/47/55/85/1273475585.db2.gz NUWLSWJKRRRHMX-FVPDABNVSA-N 2 0 351.495 0.591 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnn[nH]3)C2)cn1 ZINC001576749277 1273619078 /nfs/dbraw/zinc/61/90/78/1273619078.db2.gz CNADIMASSSRQIS-MRXNPFEDSA-N 2 0 374.493 0.737 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnn[nH]2)cn1 ZINC001576749407 1273619298 /nfs/dbraw/zinc/61/92/98/1273619298.db2.gz DFYLMPQMRHUSHW-INIZCTEOSA-N 2 0 360.466 0.347 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795224 1273697553 /nfs/dbraw/zinc/69/75/53/1273697553.db2.gz HQZJZOSSZYENJY-NEPJUHHUSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)C[C@@H](C)O1 ZINC001576801707 1273707975 /nfs/dbraw/zinc/70/79/75/1273707975.db2.gz UFEXDHVCOMCBIL-GPMSIDNRSA-N 2 0 353.507 0.887 20 0 FCADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805584 1273713634 /nfs/dbraw/zinc/71/36/34/1273713634.db2.gz IQSFXAQSDZWPFH-KGLIPLIRSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576826157 1273751870 /nfs/dbraw/zinc/75/18/70/1273751870.db2.gz ZYLBDARZMFVPTL-ZDUSSCGKSA-N 2 0 358.450 0.395 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H](CC[NH2+]CCc3cn[nH]n3)C2)CC1 ZINC001576884547 1273872506 /nfs/dbraw/zinc/87/25/06/1273872506.db2.gz WWTCKFAPNWGRPA-OAHLLOKOSA-N 2 0 364.494 0.286 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902198 1273906689 /nfs/dbraw/zinc/90/66/89/1273906689.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 0 364.494 0.165 20 0 FCADRP COCCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+](CCc2cn[nH]n2)CC1 ZINC001576988757 1274017766 /nfs/dbraw/zinc/01/77/66/1274017766.db2.gz SMFNHGARCYQFGV-MRXNPFEDSA-N 2 0 364.494 0.429 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cnn[nH]2)cc1 ZINC001577075456 1274135607 /nfs/dbraw/zinc/13/56/07/1274135607.db2.gz JWNQQYNRNNJACN-ZWKOTPCHSA-N 2 0 372.473 0.849 20 0 FCADRP CC[C@H]([NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001577139188 1274190795 /nfs/dbraw/zinc/19/07/95/1274190795.db2.gz SOWWXAQOFRAYJE-UONOGXRCSA-N 2 0 363.510 0.887 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC[NH2+]Cc1cnn[nH]1 ZINC001577165634 1274210834 /nfs/dbraw/zinc/21/08/34/1274210834.db2.gz INFUGGBRSWFSQM-HUUCEWRRSA-N 2 0 374.493 0.451 20 0 FCADRP CC[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CCOCC[NH+](C)C)CCO1 ZINC001577300778 1274315334 /nfs/dbraw/zinc/31/53/34/1274315334.db2.gz WSDBMYQVSLGNQE-CVEARBPZSA-N 2 0 366.510 0.896 20 0 FCADRP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001577476663 1274432708 /nfs/dbraw/zinc/43/27/08/1274432708.db2.gz AKURROYGMXHVDZ-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577547827 1274487353 /nfs/dbraw/zinc/48/73/53/1274487353.db2.gz UXMODEBLEMBKTR-ZDUSSCGKSA-N 2 0 360.466 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554419 1274496620 /nfs/dbraw/zinc/49/66/20/1274496620.db2.gz RTWHVIPJCCAPFD-AWEZNQCLSA-N 2 0 372.477 0.594 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562636 1274513526 /nfs/dbraw/zinc/51/35/26/1274513526.db2.gz CZQXTMXTAWAYND-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577564824 1274520370 /nfs/dbraw/zinc/52/03/70/1274520370.db2.gz AJCBXRAKVQNRGC-HZPDHXFCSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577565117 1274520842 /nfs/dbraw/zinc/52/08/42/1274520842.db2.gz IWQXWMDLAFNEID-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664771 1274677700 /nfs/dbraw/zinc/67/77/00/1274677700.db2.gz IGAKHMFOEJMUFV-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665203 1274682578 /nfs/dbraw/zinc/68/25/78/1274682578.db2.gz NHPJXTFTBBYFDZ-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667154 1274686124 /nfs/dbraw/zinc/68/61/24/1274686124.db2.gz BGAKDSLUPGZGDD-CZUORRHYSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670616 1274700970 /nfs/dbraw/zinc/70/09/70/1274700970.db2.gz XIHHNKCLJGQFQP-CZUORRHYSA-N 2 0 370.461 0.571 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672742 1274705496 /nfs/dbraw/zinc/70/54/96/1274705496.db2.gz ADXXCLPKKCDAHU-CZUORRHYSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577680799 1274729806 /nfs/dbraw/zinc/72/98/06/1274729806.db2.gz GLHUATCTFVUOIJ-ZIAGYGMSSA-N 2 0 351.499 0.684 20 0 FCADRP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1)C1CC1 ZINC001577730957 1274807000 /nfs/dbraw/zinc/80/70/00/1274807000.db2.gz BBIHHTOUJFHWOJ-HIFRSBDPSA-N 2 0 361.494 0.512 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC2(C[NH+](CCc3c[nH]nn3)C2)CC1 ZINC001577758388 1274841352 /nfs/dbraw/zinc/84/13/52/1274841352.db2.gz LSVZNGOZIMXKMV-QGZVFWFLSA-N 2 0 358.490 0.613 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001577763613 1274848020 /nfs/dbraw/zinc/84/80/20/1274848020.db2.gz FYRBXLKTNNLPMI-YCPHGPKFSA-N 2 0 358.494 0.804 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577851849 1274991526 /nfs/dbraw/zinc/99/15/26/1274991526.db2.gz DBZAFIFEOARHMD-OLZOCXBDSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859960 1275022021 /nfs/dbraw/zinc/02/20/21/1275022021.db2.gz QGVACRVBEPMKTI-OLZOCXBDSA-N 2 0 360.466 0.639 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577863470 1275038119 /nfs/dbraw/zinc/03/81/19/1275038119.db2.gz WJCLPIZGMOWLHA-UHFFFAOYSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577863704 1275038793 /nfs/dbraw/zinc/03/87/93/1275038793.db2.gz YVKUVYAKVLJYCN-UHFFFAOYSA-N 2 0 358.450 0.689 20 0 FCADRP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001577865326 1275040274 /nfs/dbraw/zinc/04/02/74/1275040274.db2.gz JWXKHTNBBMMGGT-KKUMJFAQSA-N 2 0 363.510 0.758 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577867258 1275051072 /nfs/dbraw/zinc/05/10/72/1275051072.db2.gz YTYOCXPCTIVRFO-HNNXBMFYSA-N 2 0 360.466 0.578 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577886069 1275091009 /nfs/dbraw/zinc/09/10/09/1275091009.db2.gz WJRCRQCBFQBZMQ-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892547 1275102420 /nfs/dbraw/zinc/10/24/20/1275102420.db2.gz PVRSZRISJMFXGZ-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577895115 1275105134 /nfs/dbraw/zinc/10/51/34/1275105134.db2.gz AZVJQQFBALKAIW-GFCCVEGCSA-N 2 0 360.466 0.641 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577898747 1275110540 /nfs/dbraw/zinc/11/05/40/1275110540.db2.gz GZCJZBHJTWWJHU-CYBMUJFWSA-N 2 0 364.429 0.234 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H](C[NH2+]CCc2cn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001577922627 1275129885 /nfs/dbraw/zinc/12/98/85/1275129885.db2.gz FMXCHCBALSIECI-GXTWGEPZSA-N 2 0 374.411 0.670 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C1([NH+](C)C)CCC1 ZINC001578107984 1275410721 /nfs/dbraw/zinc/41/07/21/1275410721.db2.gz YEOHRQUERXRADE-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578129656 1275428378 /nfs/dbraw/zinc/42/83/78/1275428378.db2.gz KSQNWQGMVUGQJT-GRDNDAEWSA-N 2 0 352.483 0.055 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001578136175 1275435055 /nfs/dbraw/zinc/43/50/55/1275435055.db2.gz NQLUUVQRVJFBCW-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001578139318 1275438044 /nfs/dbraw/zinc/43/80/44/1275438044.db2.gz UPBVYTWNZSNNMW-CVEARBPZSA-N 2 0 366.510 0.589 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001578144729 1275444724 /nfs/dbraw/zinc/44/47/24/1275444724.db2.gz NZGLRCHEYSWWBH-HOTGVXAUSA-N 2 0 366.510 0.709 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578220991 1275518580 /nfs/dbraw/zinc/51/85/80/1275518580.db2.gz GZQJMBYODJXWSQ-BBRMVZONSA-N 2 0 372.477 0.783 20 0 FCADRP C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH3+])C2)CCOCC1 ZINC001578410028 1275783208 /nfs/dbraw/zinc/78/32/08/1275783208.db2.gz BXWKZEQHWCJZPB-CQSZACIVSA-N 2 0 372.477 0.383 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001578418263 1275787791 /nfs/dbraw/zinc/78/77/91/1275787791.db2.gz BWIDVDFRTIHJDC-MRXNPFEDSA-N 2 0 359.474 0.333 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001578420108 1275788983 /nfs/dbraw/zinc/78/89/83/1275788983.db2.gz KNAXIIZNBMHPIL-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578443955 1275829527 /nfs/dbraw/zinc/82/95/27/1275829527.db2.gz GLQKLIVHZVJHPF-HEHGZKQESA-N 2 0 372.477 0.673 20 0 FCADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452117 1275849984 /nfs/dbraw/zinc/84/99/84/1275849984.db2.gz OUDAHGBKJHPKFY-VXGBXAGGSA-N 2 0 350.385 0.279 20 0 FCADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578468424 1275880187 /nfs/dbraw/zinc/88/01/87/1275880187.db2.gz YDGLEDCEYXKMPE-CYBMUJFWSA-N 2 0 357.410 0.510 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001578471488 1275884014 /nfs/dbraw/zinc/88/40/14/1275884014.db2.gz QQZGJLOSUQPHOE-IAQYHMDHSA-N 2 0 360.466 0.639 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH2+]CC2)C1 ZINC001578525554 1275957909 /nfs/dbraw/zinc/95/79/09/1275957909.db2.gz HFNILXPBDRKWTH-LJQANCHMSA-N 2 0 374.464 0.484 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001578525566 1275958375 /nfs/dbraw/zinc/95/83/75/1275958375.db2.gz HTJIUFNJUNNUEY-VQIMIIECSA-N 2 0 372.473 0.176 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCCO3)nnc2N2CCC([NH3+])CC2)C1 ZINC001578526018 1275960220 /nfs/dbraw/zinc/96/02/20/1275960220.db2.gz XDVSFDDCKOJBLS-PBHICJAKSA-N 2 0 350.467 0.124 20 0 FCADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529746 1275960728 /nfs/dbraw/zinc/96/07/28/1275960728.db2.gz ZHRPTHUTVZXIML-SJORKVTESA-N 2 0 356.470 0.798 20 0 FCADRP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001578578153 1276011346 /nfs/dbraw/zinc/01/13/46/1276011346.db2.gz DGXJJFBRTUKICC-TUVASFSCSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578611649 1276046986 /nfs/dbraw/zinc/04/69/86/1276046986.db2.gz SREBDIJNZNCAEP-IFXJQAMLSA-N 2 0 374.464 0.949 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578660833 1276110141 /nfs/dbraw/zinc/11/01/41/1276110141.db2.gz SGLVJNSPKCGKDZ-MAUKXSAKSA-N 2 0 350.511 0.904 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCC2)C1 ZINC001578666477 1276119564 /nfs/dbraw/zinc/11/95/64/1276119564.db2.gz IGTDTVNGHJYOEN-OAHLLOKOSA-N 2 0 363.510 0.558 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578671317 1276123764 /nfs/dbraw/zinc/12/37/64/1276123764.db2.gz INTDTZDCLGZLSU-QAPCUYQASA-N 2 0 350.511 0.589 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001580828164 1279007275 /nfs/dbraw/zinc/00/72/75/1279007275.db2.gz CUDDLLFZXDDFOC-MRXNPFEDSA-N 2 0 354.458 0.859 20 0 FCADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578846547 1276367519 /nfs/dbraw/zinc/36/75/19/1276367519.db2.gz DQCCYDUMKXFMQJ-UHFFFAOYSA-N 2 0 368.445 0.181 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578970412 1276513048 /nfs/dbraw/zinc/51/30/48/1276513048.db2.gz ALOLXIWEDOESKB-OAHLLOKOSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001578973390 1276519175 /nfs/dbraw/zinc/51/91/75/1276519175.db2.gz ZKDPBICNBMBMEU-HNNXBMFYSA-N 2 0 370.461 0.332 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001578973651 1276520882 /nfs/dbraw/zinc/52/08/82/1276520882.db2.gz WQZPVAFBPHUBDK-UHFFFAOYSA-N 2 0 363.441 0.848 20 0 FCADRP COC[C@]1(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[NH2+]C1 ZINC001578976881 1276530192 /nfs/dbraw/zinc/53/01/92/1276530192.db2.gz LGFQUWHUPZQQDC-SFHVURJKSA-N 2 0 350.463 0.654 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578978971 1276537673 /nfs/dbraw/zinc/53/76/73/1276537673.db2.gz RUJBOWOSGYKETJ-ZDUSSCGKSA-N 2 0 358.450 0.689 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979275 1276538722 /nfs/dbraw/zinc/53/87/22/1276538722.db2.gz YPUPKVOYWDZPEP-JSGCOSHPSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001578980749 1276541666 /nfs/dbraw/zinc/54/16/66/1276541666.db2.gz OIKYNLDFANREOU-UHFFFAOYSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578984200 1276550132 /nfs/dbraw/zinc/55/01/32/1276550132.db2.gz WAMWOCWHRZFUDM-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578985472 1276551913 /nfs/dbraw/zinc/55/19/13/1276551913.db2.gz IIMDEKFMFMNSEN-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578987450 1276557316 /nfs/dbraw/zinc/55/73/16/1276557316.db2.gz DOJZLIPQRACHQD-QLPKVWCKSA-N 2 0 355.446 0.365 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578987560 1276558141 /nfs/dbraw/zinc/55/81/41/1276558141.db2.gz JMZVKGJECPWDOH-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578988219 1276562148 /nfs/dbraw/zinc/56/21/48/1276562148.db2.gz RYLYNDSEQANSCK-CTYIDZIISA-N 2 0 357.462 0.803 20 0 FCADRP COC[C@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001578989985 1276564070 /nfs/dbraw/zinc/56/40/70/1276564070.db2.gz VMLXXFMPIXPHSZ-KFWWJZLASA-N 2 0 352.483 0.504 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578991666 1276565990 /nfs/dbraw/zinc/56/59/90/1276565990.db2.gz XXMVVCIUFGCRNU-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP C[N@H+](CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579005757 1276574476 /nfs/dbraw/zinc/57/44/76/1276574476.db2.gz CGMDUJNUUNDPAA-MRXNPFEDSA-N 2 0 370.461 0.475 20 0 FCADRP COCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579013759 1276587754 /nfs/dbraw/zinc/58/77/54/1276587754.db2.gz GCTAHPHXGFDVAA-OAHLLOKOSA-N 2 0 374.493 0.502 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579020447 1276599643 /nfs/dbraw/zinc/59/96/43/1276599643.db2.gz CFNIYMHJRAJAOI-HNNXBMFYSA-N 2 0 361.494 0.660 20 0 FCADRP COCCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001579022839 1276601933 /nfs/dbraw/zinc/60/19/33/1276601933.db2.gz VSSSVSLEWZNCPV-OKILXGFUSA-N 2 0 354.524 0.614 20 0 FCADRP COCCO[C@H](C)c1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001579053477 1276654979 /nfs/dbraw/zinc/65/49/79/1276654979.db2.gz QEHDTGRMMULRFX-RRFJBIMHSA-N 2 0 354.499 0.750 20 0 FCADRP CO[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCOCC[NH+](C)C)C1 ZINC001579115094 1276780691 /nfs/dbraw/zinc/78/06/91/1276780691.db2.gz WQOBGTZBBPRVDB-CABCVRRESA-N 2 0 352.483 0.506 20 0 FCADRP COc1cc(C[NH2+][C@H]2CC(=O)N(C3C[NH2+]C3)C2)ccc1OC(=O)C1CC1 ZINC001579153046 1276893075 /nfs/dbraw/zinc/89/30/75/1276893075.db2.gz QBACCCIBOJPOAP-AWEZNQCLSA-N 2 0 359.426 0.673 20 0 FCADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176242 1276935151 /nfs/dbraw/zinc/93/51/51/1276935151.db2.gz JDVKIBHADYGQBU-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579179613 1276942495 /nfs/dbraw/zinc/94/24/95/1276942495.db2.gz DTPGDAWVFVWJBG-UHFFFAOYSA-N 2 0 361.425 0.650 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001579246885 1277046086 /nfs/dbraw/zinc/04/60/86/1277046086.db2.gz NUJPTYJZGKTWJK-JLOCXQCDSA-N 2 0 364.534 0.878 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325689 1277145540 /nfs/dbraw/zinc/14/55/40/1277145540.db2.gz FGWOPKCOLTVPIQ-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579325894 1277147595 /nfs/dbraw/zinc/14/75/95/1277147595.db2.gz GFLCXHFDFGACDP-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579327040 1277152379 /nfs/dbraw/zinc/15/23/79/1277152379.db2.gz OOEYAOOAJANEKJ-GJZGRUSLSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327922 1277157516 /nfs/dbraw/zinc/15/75/16/1277157516.db2.gz ZHAXXRRGPHBTDX-HOTGVXAUSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334288 1277170902 /nfs/dbraw/zinc/17/09/02/1277170902.db2.gz WLRRVBDSHDOJIG-CVEARBPZSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334003 1277170928 /nfs/dbraw/zinc/17/09/28/1277170928.db2.gz BBLTYVVJPANWBM-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335800 1277177097 /nfs/dbraw/zinc/17/70/97/1277177097.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341877 1277190702 /nfs/dbraw/zinc/19/07/02/1277190702.db2.gz XJMKGMGENBDKJG-ZIAGYGMSSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343655 1277193113 /nfs/dbraw/zinc/19/31/13/1277193113.db2.gz AXLMUKBESBEMHM-IYXRBSQSSA-N 2 0 370.461 0.332 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001579343823 1277193300 /nfs/dbraw/zinc/19/33/00/1277193300.db2.gz KYKKWSOEHBKJLD-UMVBOHGHSA-N 2 0 356.496 0.010 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353637 1277214414 /nfs/dbraw/zinc/21/44/14/1277214414.db2.gz QOFMJNZFHVQMPA-ZBFHGGJFSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356745 1277222791 /nfs/dbraw/zinc/22/27/91/1277222791.db2.gz MKLNFLGBDYPDBV-DLBZAZTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001579358951 1277229276 /nfs/dbraw/zinc/22/92/76/1277229276.db2.gz MHQSNHJBGTUPJM-LBPRGKRZSA-N 2 0 361.475 0.761 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359921 1277233591 /nfs/dbraw/zinc/23/35/91/1277233591.db2.gz FPCAXHAGICCLJV-DJIMGWMZSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366260 1277247402 /nfs/dbraw/zinc/24/74/02/1277247402.db2.gz QKDJGDIQTBQBPQ-XJKSGUPXSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579368546 1277249467 /nfs/dbraw/zinc/24/94/67/1277249467.db2.gz AEHJQFIJKIUCDH-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC[NH2+]1 ZINC001579489635 1277402742 /nfs/dbraw/zinc/40/27/42/1277402742.db2.gz PDKDKXDKRZWGFG-HOTGVXAUSA-N 2 0 373.505 0.918 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001579493237 1277406594 /nfs/dbraw/zinc/40/65/94/1277406594.db2.gz HZEOIZVVXZZBPB-JTOWHCCKSA-N 2 0 364.494 0.383 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001579950004 1277976003 /nfs/dbraw/zinc/97/60/03/1277976003.db2.gz YIJMJVVMVZBXAM-HNNXBMFYSA-N 2 0 373.461 0.518 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001579963767 1277980758 /nfs/dbraw/zinc/98/07/58/1277980758.db2.gz WXPJKJHPDIYFIS-CYBMUJFWSA-N 2 0 373.461 0.565 20 0 FCADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C[C@@H]1C(F)(F)F ZINC001580274710 1278070409 /nfs/dbraw/zinc/07/04/09/1278070409.db2.gz BTEVCSDDDLTYMB-AGIUHOORSA-N 2 0 355.426 0.871 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580277269 1278071810 /nfs/dbraw/zinc/07/18/10/1278071810.db2.gz KFZAJAVPJRHYSJ-NWDGAFQWSA-N 2 0 363.491 0.864 20 0 FCADRP [NH3+]CC[C@@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC001580284565 1278086733 /nfs/dbraw/zinc/08/67/33/1278086733.db2.gz JQBIRSDCLBMGDR-BXKDBHETSA-N 2 0 350.200 0.624 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940523 1279148927 /nfs/dbraw/zinc/14/89/27/1279148927.db2.gz AUCRYAZNRIGGPF-BFHYXJOUSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962488 1279166345 /nfs/dbraw/zinc/16/63/45/1279166345.db2.gz WBWODQBODMSVGE-OLZOCXBDSA-N 2 0 356.434 0.217 20 0 FCADRP Cc1cc(N2CCC(NC(=O)CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962084 1279167227 /nfs/dbraw/zinc/16/72/27/1279167227.db2.gz ODJPPPOAYWRUHR-UHFFFAOYSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580964294 1279167456 /nfs/dbraw/zinc/16/74/56/1279167456.db2.gz AARIPYUANGZVQX-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967486 1279168367 /nfs/dbraw/zinc/16/83/67/1279168367.db2.gz SZZIFWHEWCUANQ-HIFRSBDPSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968829 1279170376 /nfs/dbraw/zinc/17/03/76/1279170376.db2.gz SRIVJZOCXFOQIX-CQSZACIVSA-N 2 0 370.461 0.751 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991415 1279194616 /nfs/dbraw/zinc/19/46/16/1279194616.db2.gz OQFWJEJYACMHCU-OLZOCXBDSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991955 1279195984 /nfs/dbraw/zinc/19/59/84/1279195984.db2.gz ZMPAQFSRAHXRAA-ZDUSSCGKSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991794 1279196285 /nfs/dbraw/zinc/19/62/85/1279196285.db2.gz WGVGVFAFQOFMOF-QWHCGFSZSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991792 1279196852 /nfs/dbraw/zinc/19/68/52/1279196852.db2.gz WGVGVFAFQOFMOF-CHWSQXEVSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994878 1279203580 /nfs/dbraw/zinc/20/35/80/1279203580.db2.gz RZFYOMLDQKUZLI-TZMCWYRMSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996047 1279207948 /nfs/dbraw/zinc/20/79/48/1279207948.db2.gz UTWISCJJGUMQPQ-QWHCGFSZSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005802 1279225096 /nfs/dbraw/zinc/22/50/96/1279225096.db2.gz DKANLFLALOCYBQ-HIFRSBDPSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009997 1279236043 /nfs/dbraw/zinc/23/60/43/1279236043.db2.gz BHIUIRFLTIZKLK-LRDDRELGSA-N 2 0 374.493 0.742 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013205 1279239372 /nfs/dbraw/zinc/23/93/72/1279239372.db2.gz KORCEVBHUCKYGB-ZDUSSCGKSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016581 1279245675 /nfs/dbraw/zinc/24/56/75/1279245675.db2.gz PPPHFMKCPKTFFE-MRXNPFEDSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024767 1279256570 /nfs/dbraw/zinc/25/65/70/1279256570.db2.gz GXCCDJYCLWYYLC-MRVWCRGKSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027803 1279263368 /nfs/dbraw/zinc/26/33/68/1279263368.db2.gz XUPBPGBBUHPKTL-HNNXBMFYSA-N 2 0 360.466 0.449 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031740 1279269707 /nfs/dbraw/zinc/26/97/07/1279269707.db2.gz DKTPFSUHMTWBEI-KBPBESRZSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036240 1279273510 /nfs/dbraw/zinc/27/35/10/1279273510.db2.gz HHFDHXWRXNUZKJ-PVXIVEMSSA-N 2 0 370.461 0.203 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039348 1279277595 /nfs/dbraw/zinc/27/75/95/1279277595.db2.gz VBRAOHNUANJUMO-AAVRWANBSA-N 2 0 370.461 0.391 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001715201106 1287346243 /nfs/dbraw/zinc/34/62/43/1287346243.db2.gz CASUNFFPFADKAV-VNHYZAJKSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C2CCCCC2)CC[N@@H+]1C ZINC001715587261 1287356523 /nfs/dbraw/zinc/35/65/23/1287356523.db2.gz SYFOAOHLDBDOQN-DJIMGWMZSA-N 2 0 368.522 0.184 20 0 FCADRP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001603459668 1287378734 /nfs/dbraw/zinc/37/87/34/1287378734.db2.gz XJLAVDUJCNFQEZ-STQMWFEESA-N 2 0 372.477 0.863 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001603477138 1287384576 /nfs/dbraw/zinc/38/45/76/1287384576.db2.gz ZBPHMFLUIZZLLC-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001603481498 1287388084 /nfs/dbraw/zinc/38/80/84/1287388084.db2.gz JMVIGTAZSLYZCS-AWEZNQCLSA-N 2 0 369.477 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3ccco3)CCC2)CC[N@@H+]1C ZINC001717151355 1287408720 /nfs/dbraw/zinc/40/87/20/1287408720.db2.gz KVAIWZKMDVZBSG-GDBMZVCRSA-N 2 0 362.474 0.865 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717701176 1287431975 /nfs/dbraw/zinc/43/19/75/1287431975.db2.gz UWUKZINDRRGHOW-VNHYZAJKSA-N 2 0 367.494 0.094 20 0 FCADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603610120 1287441739 /nfs/dbraw/zinc/44/17/39/1287441739.db2.gz WXVBKSUEWBLNJV-CHWSQXEVSA-N 2 0 370.461 0.617 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582047336 1280969157 /nfs/dbraw/zinc/96/91/57/1280969157.db2.gz ZYQYAMHPVRBJOW-HDJSIYSDSA-N 2 0 370.461 0.619 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582053903 1280977640 /nfs/dbraw/zinc/97/76/40/1280977640.db2.gz VNTNRVYKHMORHB-OKILXGFUSA-N 2 0 370.461 0.619 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582097721 1281052215 /nfs/dbraw/zinc/05/22/15/1281052215.db2.gz LLVJGLVNPONSRJ-UHFFFAOYSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582097332 1281052526 /nfs/dbraw/zinc/05/25/26/1281052526.db2.gz FAGFPUVPEKXAFH-KRWDZBQOSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582098005 1281052808 /nfs/dbraw/zinc/05/28/08/1281052808.db2.gz XQPNEBKQJCOTKZ-KRWDZBQOSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582099516 1281055515 /nfs/dbraw/zinc/05/55/15/1281055515.db2.gz UHDRXUZJWGFYJX-QGZVFWFLSA-N 2 0 369.473 0.947 20 0 FCADRP CC1(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C[NH2+]C1 ZINC001603746796 1287484594 /nfs/dbraw/zinc/48/45/94/1287484594.db2.gz VBZYPQJVZIGCPB-UHFFFAOYSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001603839534 1287512961 /nfs/dbraw/zinc/51/29/61/1287512961.db2.gz ZIHIISRGRVTOBT-JSGCOSHPSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001718764192 1287562080 /nfs/dbraw/zinc/56/20/80/1287562080.db2.gz FYONQMCSNKVDGP-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001604198685 1287587786 /nfs/dbraw/zinc/58/77/86/1287587786.db2.gz RJUANCHLSNFYLJ-INIZCTEOSA-N 2 0 374.493 0.887 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001589418382 1282877315 /nfs/dbraw/zinc/87/73/15/1282877315.db2.gz QFFBDVNLVZMSKK-HNNXBMFYSA-N 2 0 363.441 0.798 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001589674134 1282936752 /nfs/dbraw/zinc/93/67/52/1282936752.db2.gz UQESFJMZIFPLQZ-UHFFFAOYSA-N 2 0 351.480 0.816 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716275 1282959673 /nfs/dbraw/zinc/95/96/73/1282959673.db2.gz GACKIRYTDXIHAY-MJSXRHKHSA-N 2 0 370.461 0.641 20 0 FCADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001589764403 1282988980 /nfs/dbraw/zinc/98/89/80/1282988980.db2.gz GIVBGAYFMUASBJ-OAHLLOKOSA-N 2 0 363.441 0.798 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589812595 1283036863 /nfs/dbraw/zinc/03/68/63/1283036863.db2.gz AOFREGXJLVROLY-XJKSGUPXSA-N 2 0 374.493 0.967 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590732919 1283767208 /nfs/dbraw/zinc/76/72/08/1283767208.db2.gz IVOMLDQDPVWSEP-HNNXBMFYSA-N 2 0 358.450 0.476 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590855677 1283930622 /nfs/dbraw/zinc/93/06/22/1283930622.db2.gz KEEXXPREALEWSZ-DOMZBBRYSA-N 2 0 360.466 0.721 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC001683948419 1284133423 /nfs/dbraw/zinc/13/34/23/1284133423.db2.gz SXWLXKLWIHSVDB-ZBFHGGJFSA-N 2 0 351.495 0.275 20 0 FCADRP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001591104047 1284175784 /nfs/dbraw/zinc/17/57/84/1284175784.db2.gz FVOBYUFIADADKP-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175136 1284264347 /nfs/dbraw/zinc/26/43/47/1284264347.db2.gz HXLYYEVLXCNGKO-CQSZACIVSA-N 2 0 361.425 0.553 20 0 FCADRP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001591176023 1284267057 /nfs/dbraw/zinc/26/70/57/1284267057.db2.gz HAZWNTAKRQMLAE-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591176332 1284270574 /nfs/dbraw/zinc/27/05/74/1284270574.db2.gz NTMFOIHODGOJKA-UPJWGTAASA-N 2 0 356.434 0.085 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001591189686 1284306309 /nfs/dbraw/zinc/30/63/09/1284306309.db2.gz VSQGYCKYHNDVOD-OAHLLOKOSA-N 2 0 361.425 0.696 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC001591300053 1284453310 /nfs/dbraw/zinc/45/33/10/1284453310.db2.gz YQYCSOALUMCHDE-UHFFFAOYSA-N 2 0 374.445 0.542 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683359 1287728314 /nfs/dbraw/zinc/72/83/14/1287728314.db2.gz SSDUDEZMSJBXBX-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP COc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1-c1nn[nH]n1 ZINC001591525352 1284711931 /nfs/dbraw/zinc/71/19/31/1284711931.db2.gz HQAJPCSGPUJTDG-UHFFFAOYSA-N 2 0 359.478 0.945 20 0 FCADRP COc1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cc1-c1nn[nH]n1 ZINC001591599732 1284762359 /nfs/dbraw/zinc/76/23/59/1284762359.db2.gz PLBRVTBLVJDKOQ-UHFFFAOYSA-N 2 0 371.445 0.177 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)CCCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592032824 1285078717 /nfs/dbraw/zinc/07/87/17/1285078717.db2.gz FWDDNZYGPOESTH-CQSZACIVSA-N 2 0 374.493 0.983 20 0 FCADRP Cc1cc(NC[C@H]2CC[N@H+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[NH+]2C)[nH+]1 ZINC001592044816 1285085106 /nfs/dbraw/zinc/08/51/06/1285085106.db2.gz JQMADCOBVZYEPG-OLZOCXBDSA-N 3 0 357.466 0.802 20 0 FCADRP Cc1cc(NCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592045420 1285085870 /nfs/dbraw/zinc/08/58/70/1285085870.db2.gz DFLBZIYUCWYENC-BLLLJJGKSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCCCNC(=O)CC[NH+]2CCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046424 1285087412 /nfs/dbraw/zinc/08/74/12/1285087412.db2.gz APYMPUUEBNVAAU-UHFFFAOYSA-N 2 0 372.477 0.786 20 0 FCADRP CN(CCC[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)CC[NH+](C)C ZINC001609267800 1289032453 /nfs/dbraw/zinc/03/24/53/1289032453.db2.gz NNMIOLZLEQFZIW-KRWDZBQOSA-N 2 0 361.494 0.715 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001707125803 1286461085 /nfs/dbraw/zinc/46/10/85/1286461085.db2.gz ANEWRLHAOTZJBC-BHYGNILZSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001603017520 1287186709 /nfs/dbraw/zinc/18/67/09/1287186709.db2.gz UUGPMCGVQGKAKG-CYBMUJFWSA-N 2 0 358.450 0.476 20 0 FCADRP C[NH+]1CCC2(CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001604855320 1287799083 /nfs/dbraw/zinc/79/90/83/1287799083.db2.gz DBUXUFOEMBCNMH-HNNXBMFYSA-N 2 0 355.446 0.811 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001604854677 1287799665 /nfs/dbraw/zinc/79/96/65/1287799665.db2.gz RCJVGKKFXXKBMD-BHYGNILZSA-N 2 0 369.473 0.945 20 0 FCADRP Cc1cc(NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733096 1288065918 /nfs/dbraw/zinc/06/59/18/1288065918.db2.gz ZYEHFQARXHHPDU-PLNGDYQASA-N 2 0 370.461 0.418 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001605737816 1288068285 /nfs/dbraw/zinc/06/82/85/1288068285.db2.gz CTWGJIBMSDRBOH-ZDUSSCGKSA-N 2 0 370.461 0.537 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001724786370 1288450115 /nfs/dbraw/zinc/45/01/15/1288450115.db2.gz PMWQHYPAPDSBBM-MGPQQGTHSA-N 2 0 367.494 0.189 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC1 ZINC001735718154 1288794453 /nfs/dbraw/zinc/79/44/53/1288794453.db2.gz ARMSYTHRYVGLHJ-DLBZAZTESA-N 2 0 362.518 0.729 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001735877020 1288975954 /nfs/dbraw/zinc/97/59/54/1288975954.db2.gz VBBVUQRBGNPROT-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001609613490 1289264407 /nfs/dbraw/zinc/26/44/07/1289264407.db2.gz JWOXXEPUIJLSDD-GOSISDBHSA-N 2 0 371.489 0.799 20 0 FCADRP C[C@@H](F)CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691907113 1289339541 /nfs/dbraw/zinc/33/95/41/1289339541.db2.gz GMTWXDQJIIDMTD-YRGRVCCFSA-N 2 0 353.442 0.976 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691913512 1289341472 /nfs/dbraw/zinc/34/14/72/1289341472.db2.gz QAYDYCKGHYKENA-MELADBBJSA-N 2 0 355.483 0.047 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CCO ZINC001692031505 1289371676 /nfs/dbraw/zinc/37/16/76/1289371676.db2.gz FZWBTVZMMPFEEJ-BPQIPLTHSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001698747730 1289534716 /nfs/dbraw/zinc/53/47/16/1289534716.db2.gz HISOFHLHFOCRQO-BFYDXBDKSA-N 2 0 364.490 0.920 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001698747463 1289535004 /nfs/dbraw/zinc/53/50/04/1289535004.db2.gz DKWLKIAEGRGRAK-MGPQQGTHSA-N 2 0 369.510 0.293 20 0 FCADRP C[C@@H](CC[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699101033 1289545552 /nfs/dbraw/zinc/54/55/52/1289545552.db2.gz AQNPMRHBMJERIP-BFHYXJOUSA-N 2 0 351.499 0.753 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001699258381 1289548453 /nfs/dbraw/zinc/54/84/53/1289548453.db2.gz CKSLOQIHWRYJCB-SSBHQGKESA-N 2 0 350.463 0.128 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CCC)C[C@H]1O ZINC001739447529 1290010368 /nfs/dbraw/zinc/01/03/68/1290010368.db2.gz BIVRROLGOJLNCP-IXDOHACOSA-N 2 0 368.522 0.281 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001628009688 1290501141 /nfs/dbraw/zinc/50/11/41/1290501141.db2.gz PNFRRLADQXCNCK-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001752941209 1290616395 /nfs/dbraw/zinc/61/63/95/1290616395.db2.gz FSTQDHKCBGJAHX-HRCADAONSA-N 2 0 359.536 0.590 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C2CC2)C2CC2)CC[N@@H+]1C ZINC001754441861 1290627964 /nfs/dbraw/zinc/62/79/64/1290627964.db2.gz SASVVMUDYXOQKI-GVDBMIGSSA-N 2 0 350.507 0.822 20 0 FCADRP Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001755154518 1290640235 /nfs/dbraw/zinc/64/02/35/1290640235.db2.gz ROOUGZPZJMVRPR-NVXWUHKLSA-N 2 0 361.490 0.568 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001757229779 1290747230 /nfs/dbraw/zinc/74/72/30/1290747230.db2.gz TVEGGRRJKKKATC-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP CC[NH+](CC)C1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001764970524 1290886717 /nfs/dbraw/zinc/88/67/17/1290886717.db2.gz MUFXIEFCLKQOSS-GOSISDBHSA-N 2 0 350.511 0.964 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311853 1291406109 /nfs/dbraw/zinc/40/61/09/1291406109.db2.gz BFFKDRIUUKOIST-ROUUACIJSA-N 2 0 373.501 0.431 20 0 FCADRP CCN(CC[NH2+][C@H](C)C(=O)Nc1ncccn1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435615 1291964718 /nfs/dbraw/zinc/96/47/18/1291964718.db2.gz MFTKZFWHPZBWDY-RBSFLKMASA-N 2 0 362.478 0.582 20 0 FCADRP Cn1ccnc1[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001673552127 1292114430 /nfs/dbraw/zinc/11/44/30/1292114430.db2.gz LIGBVEJBDGANSJ-CVEARBPZSA-N 2 0 366.510 0.775 20 0 FCADRP Cn1ccnc1[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001673552130 1292114641 /nfs/dbraw/zinc/11/46/41/1292114641.db2.gz LIGBVEJBDGANSJ-JKSUJKDBSA-N 2 0 366.510 0.775 20 0 FCADRP CCO[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001689075793 1294595761 /nfs/dbraw/zinc/59/57/61/1294595761.db2.gz ALQOKKZVTSZPFR-HZPDHXFCSA-N 2 0 365.478 0.123 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001689177072 1294643336 /nfs/dbraw/zinc/64/33/36/1294643336.db2.gz WGSDXLIXLMZLSC-JKSUJKDBSA-N 2 0 364.490 0.589 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231414 1294687351 /nfs/dbraw/zinc/68/73/51/1294687351.db2.gz DZXWVPKKUWDUDS-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP COCCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690656970 1294878640 /nfs/dbraw/zinc/87/86/40/1294878640.db2.gz DBMNQVDDDOAJCM-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)N(C)Cc1nn(-c2ncnc3c2CC[NH2+]CC3)c2c1CC[NH2+]C2 ZINC001164685119 719602747 /nfs/dbraw/zinc/60/27/47/719602747.db2.gz REZBIKWEPWBYQT-UHFFFAOYSA-N 2 0 355.490 0.836 20 0 FCADRP c1ncc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)cn1 ZINC001164741509 720610275 /nfs/dbraw/zinc/61/02/75/720610275.db2.gz LIMZNRLFWRFZFL-CABCVRRESA-N 2 0 367.457 0.297 20 0 FCADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164865666 721085580 /nfs/dbraw/zinc/08/55/80/721085580.db2.gz OEXURPXZQDQZQV-DLBZAZTESA-N 2 0 352.442 0.955 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164771677 721090410 /nfs/dbraw/zinc/09/04/10/721090410.db2.gz STZVEZRWLSHRNI-WBVHZDCISA-N 2 0 353.474 0.814 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926027 721871849 /nfs/dbraw/zinc/87/18/49/721871849.db2.gz PYTANNMYYFEKRS-DLBZAZTESA-N 2 0 359.522 0.619 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069929099 837565371 /nfs/dbraw/zinc/56/53/71/837565371.db2.gz VAVJXQILRCVJCD-XHSDSOJGSA-N 2 0 350.442 0.321 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC001070238926 837637297 /nfs/dbraw/zinc/63/72/97/837637297.db2.gz LWXUQNDAXBFPAA-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001070333524 837647542 /nfs/dbraw/zinc/64/75/42/837647542.db2.gz CQKZJFZXEYSKJB-PMPSAXMXSA-N 2 0 352.458 0.710 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001070576939 837660348 /nfs/dbraw/zinc/66/03/48/837660348.db2.gz JBFDGURJIPYOFT-HZSPNIEDSA-N 2 0 350.467 0.591 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106711 837735384 /nfs/dbraw/zinc/73/53/84/837735384.db2.gz QODZLWSYEZGBAZ-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339784 844151301 /nfs/dbraw/zinc/15/13/01/844151301.db2.gz GJEHFCHNGMAUMA-LVEJAMMSSA-N 2 0 353.507 0.504 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345185 844153744 /nfs/dbraw/zinc/15/37/44/844153744.db2.gz XHSJJSSOLFPKGU-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC001101352353 844156348 /nfs/dbraw/zinc/15/63/48/844156348.db2.gz BXCYYHZYWMHBLY-AOIWGVFYSA-N 2 0 353.507 0.914 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101353073 844156545 /nfs/dbraw/zinc/15/65/45/844156545.db2.gz SAUQPEVKWPTFFI-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101439846 844186702 /nfs/dbraw/zinc/18/67/02/844186702.db2.gz BUNXNNUUFWOEHO-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101443296 844186760 /nfs/dbraw/zinc/18/67/60/844186760.db2.gz DOISKYGHSQBTIM-QAPCUYQASA-N 2 0 351.495 0.134 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460361 844192864 /nfs/dbraw/zinc/19/28/64/844192864.db2.gz BGFNPIDINMCTRE-FCEWJHQRSA-N 2 0 350.507 0.587 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474036 844198706 /nfs/dbraw/zinc/19/87/06/844198706.db2.gz CITMVBLAWJFZIQ-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474174 844199300 /nfs/dbraw/zinc/19/93/00/844199300.db2.gz KQZGCUIYYAUATI-AOIWGVFYSA-N 2 0 353.507 0.650 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101476123 844200084 /nfs/dbraw/zinc/20/00/84/844200084.db2.gz CXBYDLOYBRPBIR-LMMKCTJWSA-N 2 0 353.507 0.650 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478593 844204239 /nfs/dbraw/zinc/20/42/39/844204239.db2.gz WACFVHOZCAOYAP-GJYPPUQNSA-N 2 0 350.507 0.728 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815739 844280237 /nfs/dbraw/zinc/28/02/37/844280237.db2.gz QPKGCYXRRXUDLQ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077023528 838222360 /nfs/dbraw/zinc/22/23/60/838222360.db2.gz FEFJNRWZJBDALK-VDHUWJSZSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975825 844356956 /nfs/dbraw/zinc/35/69/56/844356956.db2.gz CPLRRBYTBXDAOI-OIISXLGYSA-N 2 0 350.507 0.537 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299417 838887649 /nfs/dbraw/zinc/88/76/49/838887649.db2.gz AHXTUYIMQWBERU-BRWVUGGUSA-N 2 0 351.491 0.593 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046077 844393890 /nfs/dbraw/zinc/39/38/90/844393890.db2.gz LKIAZTMRIGDOIQ-HUUCEWRRSA-N 2 0 351.495 0.180 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047896 844395708 /nfs/dbraw/zinc/39/57/08/844395708.db2.gz XDKQGBSGZPGOFK-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059578 844399649 /nfs/dbraw/zinc/39/96/49/844399649.db2.gz VWUCHVUUMLRHCH-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC[C@@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685348 839111947 /nfs/dbraw/zinc/11/19/47/839111947.db2.gz LVTHHCDBTGIVNO-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077685700 839114758 /nfs/dbraw/zinc/11/47/58/839114758.db2.gz ZFIDXZBHTQSKQZ-IAGOWNOFSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001102071122 844404513 /nfs/dbraw/zinc/40/45/13/844404513.db2.gz FIQHKGNYTQBIJQ-OAGGEKHMSA-N 2 0 353.511 0.282 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001077779464 839153684 /nfs/dbraw/zinc/15/36/84/839153684.db2.gz OVXZLPGUFYDEKQ-QZTJIDSGSA-N 2 0 353.507 0.696 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114735 844420995 /nfs/dbraw/zinc/42/09/95/844420995.db2.gz ALCWFVRHVZJTNU-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264766 844454245 /nfs/dbraw/zinc/45/42/45/844454245.db2.gz YNNSOZWRNNBPJQ-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CCN(C(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079966936 839634162 /nfs/dbraw/zinc/63/41/62/839634162.db2.gz PAZCWJXUQBXANH-RHSMWYFYSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080383715 839714017 /nfs/dbraw/zinc/71/40/17/839714017.db2.gz SBNYKSJHUDRUQM-OIISXLGYSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080444689 839727389 /nfs/dbraw/zinc/72/73/89/839727389.db2.gz ZXBVIMSMCMCOSV-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319061 844465724 /nfs/dbraw/zinc/46/57/24/844465724.db2.gz XCWPWTUUBMUOJI-GVDBMIGSSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102366397 844476011 /nfs/dbraw/zinc/47/60/11/844476011.db2.gz CZQLOGKRLCNRLB-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375539 844480691 /nfs/dbraw/zinc/48/06/91/844480691.db2.gz OZFBULUNHROLFF-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102427082 844496252 /nfs/dbraw/zinc/49/62/52/844496252.db2.gz AMAZFLNJDOPXFP-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894934 840091456 /nfs/dbraw/zinc/09/14/56/840091456.db2.gz KDBFGOXRYOMZFO-GVDBMIGSSA-N 2 0 351.491 0.999 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102475243 844515611 /nfs/dbraw/zinc/51/56/11/844515611.db2.gz FVYHWPZDPUYWGB-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326499 840308774 /nfs/dbraw/zinc/30/87/74/840308774.db2.gz GOROPPAANJFVID-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082511844 840444396 /nfs/dbraw/zinc/44/43/96/840444396.db2.gz UBHPZFRYHSJEGD-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP COc1cc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)sn1 ZINC001102510918 844541805 /nfs/dbraw/zinc/54/18/05/844541805.db2.gz BKSZEIUDODFLPG-ZIAGYGMSSA-N 2 0 370.519 0.914 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082699511 840529064 /nfs/dbraw/zinc/52/90/64/840529064.db2.gz BOWQGJMUFJZHGQ-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082822119 840574561 /nfs/dbraw/zinc/57/45/61/840574561.db2.gz LQVMXWUQJSGFOC-IXDOHACOSA-N 2 0 371.547 0.590 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525240 844553864 /nfs/dbraw/zinc/55/38/64/844553864.db2.gz SAWPLCDYIGRAND-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082863674 840588150 /nfs/dbraw/zinc/58/81/50/840588150.db2.gz QTQGKAQYDOKFTO-OWCLPIDISA-N 2 0 369.531 0.344 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082921567 840603712 /nfs/dbraw/zinc/60/37/12/840603712.db2.gz VGFUBDGFUIKALI-UKRRQHHQSA-N 2 0 369.487 0.715 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083236330 840820460 /nfs/dbraw/zinc/82/04/60/840820460.db2.gz WNNKQVFDYQBVMX-HYVNUMGLSA-N 2 0 355.479 0.044 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599189 844589200 /nfs/dbraw/zinc/58/92/00/844589200.db2.gz SQHRPEXTBUWDMQ-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596618 844587002 /nfs/dbraw/zinc/58/70/02/844587002.db2.gz POQXOPAYYRCGEJ-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460581 841028994 /nfs/dbraw/zinc/02/89/94/841028994.db2.gz NNASSQDASJTWRK-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083594171 841213145 /nfs/dbraw/zinc/21/31/45/841213145.db2.gz PHCHTEPWDKYVSL-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654974 841281621 /nfs/dbraw/zinc/28/16/21/841281621.db2.gz OXUPGZGWHMSIKX-UGLNBPRTSA-N 2 0 351.491 0.447 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719849 841354405 /nfs/dbraw/zinc/35/44/05/841354405.db2.gz ZAXSLCTWIFMGKM-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)C1 ZINC001275801918 861197868 /nfs/dbraw/zinc/19/78/68/861197868.db2.gz YAWUTTAPULLYTG-KRWDZBQOSA-N 2 0 352.523 0.319 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC[C@@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781551 841428716 /nfs/dbraw/zinc/42/87/16/841428716.db2.gz LVTHHCDBTGIVNO-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851327 841500373 /nfs/dbraw/zinc/50/03/73/841500373.db2.gz ZNYRHGQDBSDUNY-SJORKVTESA-N 2 0 351.495 0.656 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@@H]2O)o1 ZINC001084110120 841712264 /nfs/dbraw/zinc/71/22/64/841712264.db2.gz HVVVNXOZUXLOEG-BMFZPTHFSA-N 2 0 353.463 0.931 20 0 FCADRP C[NH+](C)CCN1C(=O)COCC12CN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001275862550 861230800 /nfs/dbraw/zinc/23/08/00/861230800.db2.gz KTICHBQJVLSMFL-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@H](NC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2)C(N)=O ZINC001275881277 861246843 /nfs/dbraw/zinc/24/68/43/861246843.db2.gz YRBTUSCSYVIOBR-XHSDSOJGSA-N 2 0 350.507 0.810 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086882665 842191133 /nfs/dbraw/zinc/19/11/33/842191133.db2.gz DZPGCKPYNPCECD-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CNC(=O)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924512 842192835 /nfs/dbraw/zinc/19/28/35/842192835.db2.gz URHIWMUHBGWKCD-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087034589 842230604 /nfs/dbraw/zinc/23/06/04/842230604.db2.gz MRABHRHGJZXMKO-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087059138 842253812 /nfs/dbraw/zinc/25/38/12/842253812.db2.gz SWNBNNIVPPMZMS-ZIAGYGMSSA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087096193 842285645 /nfs/dbraw/zinc/28/56/45/842285645.db2.gz BPLFCZFWOCRSFR-SQWLQELKSA-N 2 0 351.451 0.365 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087097132 842286172 /nfs/dbraw/zinc/28/61/72/842286172.db2.gz XYYIXLQMJDCQHQ-GVDBMIGSSA-N 2 0 351.491 0.572 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087101121 842288636 /nfs/dbraw/zinc/28/86/36/842288636.db2.gz USQHBRCSVGSRPJ-DJIMGWMZSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087100945 842289744 /nfs/dbraw/zinc/28/97/44/842289744.db2.gz MDYWBTDUMVHAGT-RBSFLKMASA-N 2 0 350.467 0.018 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087101009 842289984 /nfs/dbraw/zinc/28/99/84/842289984.db2.gz PBCADUSCCIAOLF-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087100759 842290344 /nfs/dbraw/zinc/29/03/44/842290344.db2.gz CDPIGHYVAHYBBL-HUUCEWRRSA-N 2 0 367.519 0.895 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087208165 842319468 /nfs/dbraw/zinc/31/94/68/842319468.db2.gz QGCSBJWPNUYIHA-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)C1=O ZINC001087245805 842323365 /nfs/dbraw/zinc/32/33/65/842323365.db2.gz LPFMJEXKSYHSTR-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCN1CCNC1=O ZINC001087578477 842362294 /nfs/dbraw/zinc/36/22/94/842362294.db2.gz XVOHFFOUKWYMKH-LVQVYYBASA-N 2 0 351.495 0.321 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001276049794 861303583 /nfs/dbraw/zinc/30/35/83/861303583.db2.gz SJKOMGZIUVDWIB-ZSZQSSIHSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001276049793 861303918 /nfs/dbraw/zinc/30/39/18/861303918.db2.gz SJKOMGZIUVDWIB-OGWOLHLISA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087796817 842434028 /nfs/dbraw/zinc/43/40/28/842434028.db2.gz NRRRBJFFMOCWDK-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095349 842529206 /nfs/dbraw/zinc/52/92/06/842529206.db2.gz JDYBQUWGJFAPSG-SOLBZPMBSA-N 2 0 350.507 0.585 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150762 842544972 /nfs/dbraw/zinc/54/49/72/842544972.db2.gz UNAYFMXAPNKLHR-ZACQAIPSSA-N 2 0 350.507 0.633 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088201284 842557841 /nfs/dbraw/zinc/55/78/41/842557841.db2.gz UQHBOMVGHQYHAH-ZACQAIPSSA-N 2 0 369.531 0.297 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579342 842617426 /nfs/dbraw/zinc/61/74/26/842617426.db2.gz BJIPSWGXETUSBA-FXUDXRNXSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088899330 842709356 /nfs/dbraw/zinc/70/93/56/842709356.db2.gz YSYFYUYTRRRAHE-ZBFHGGJFSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CCO)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941351 842776170 /nfs/dbraw/zinc/77/61/70/842776170.db2.gz HEIDYHCTCGQIOY-IXDOHACOSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910170 843122774 /nfs/dbraw/zinc/12/27/74/843122774.db2.gz KPXRIJZLAUYFLG-VCBZYWHSSA-N 2 0 350.507 0.905 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944279 843127075 /nfs/dbraw/zinc/12/70/75/843127075.db2.gz YCOHKFZLXBHWOS-FCEWJHQRSA-N 2 0 350.507 0.635 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015125 843141416 /nfs/dbraw/zinc/14/14/16/843141416.db2.gz JTCBHUFKKVAWOR-KHYOSLBOSA-N 2 0 350.507 0.633 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190077 843169389 /nfs/dbraw/zinc/16/93/89/843169389.db2.gz MPSKHWRMQMLEAF-MDZRGWNJSA-N 2 0 350.507 0.907 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092508055 843224261 /nfs/dbraw/zinc/22/42/61/843224261.db2.gz RNOYIFZAICWWSK-BMFZPTHFSA-N 2 0 366.531 0.997 20 0 FCADRP CO[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040777 843370637 /nfs/dbraw/zinc/37/06/37/843370637.db2.gz UIYUDUXGLKUSBJ-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133474 843398028 /nfs/dbraw/zinc/39/80/28/843398028.db2.gz HGWWKNXNSNNCCF-BZUAXINKSA-N 2 0 369.531 0.201 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225545 843412910 /nfs/dbraw/zinc/41/29/10/843412910.db2.gz MYLAVEJPNNUDFY-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448541 843433977 /nfs/dbraw/zinc/43/39/77/843433977.db2.gz APTYFTYUJSDOIO-CBZIJGRNSA-N 2 0 353.507 0.429 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451298 843435311 /nfs/dbraw/zinc/43/53/11/843435311.db2.gz SNJDBZAYLIXDJI-ZAWLATJESA-N 2 0 353.507 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093672788 843453799 /nfs/dbraw/zinc/45/37/99/843453799.db2.gz DHOZATZNTZHVNV-RBSFLKMASA-N 2 0 352.458 0.526 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC3COC(C)(C)OC3)C2)OCC1=O ZINC001276345444 861420234 /nfs/dbraw/zinc/42/02/34/861420234.db2.gz BNTRMXHRXQWZKS-GOSISDBHSA-N 2 0 355.479 0.250 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093820539 843474358 /nfs/dbraw/zinc/47/43/58/843474358.db2.gz LUPAVOXNJLZGCI-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093825627 843475669 /nfs/dbraw/zinc/47/56/69/843475669.db2.gz MXNVLPOSBYQWEO-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094219870 843532081 /nfs/dbraw/zinc/53/20/81/843532081.db2.gz VAUXAQYYCJGKNC-MGPQQGTHSA-N 2 0 350.467 0.271 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](C)C1 ZINC001094224390 843532185 /nfs/dbraw/zinc/53/21/85/843532185.db2.gz IMJSLDWYFKAQBG-BZUAXINKSA-N 2 0 350.463 0.827 20 0 FCADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531429 843736209 /nfs/dbraw/zinc/73/62/09/843736209.db2.gz DTCMBLISESLOCF-OWSLCNJRSA-N 2 0 351.491 0.998 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030868 843957372 /nfs/dbraw/zinc/95/73/72/843957372.db2.gz HDGYPJMJOHBCLW-DOXZYTNZSA-N 2 0 350.507 0.824 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063380 843959210 /nfs/dbraw/zinc/95/92/10/843959210.db2.gz ZHLMHFCCITXUSM-LPHOPBHVSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062891 843959372 /nfs/dbraw/zinc/95/93/72/843959372.db2.gz LHRRHAFMJBKLMA-BXWFABGCSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780959 844646373 /nfs/dbraw/zinc/64/63/73/844646373.db2.gz WPSQKLJZCUXMPR-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782816 844647882 /nfs/dbraw/zinc/64/78/82/844647882.db2.gz QJTYDRDTMHNQGP-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001102999840 844681950 /nfs/dbraw/zinc/68/19/50/844681950.db2.gz GDVRXSOVZZRMIK-BZUAXINKSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001103435957 844757307 /nfs/dbraw/zinc/75/73/07/844757307.db2.gz FUGAAEQIAQCEOC-LBTNJELSSA-N 2 0 356.486 0.758 20 0 FCADRP C[NH+](C)CCCN1CC[C@@]2(C1)CN(C[C@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609119 861495884 /nfs/dbraw/zinc/49/58/84/861495884.db2.gz HDKLEUAJMXSXLL-MAUKXSAKSA-N 2 0 355.479 0.393 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571031 844782985 /nfs/dbraw/zinc/78/29/85/844782985.db2.gz RZKMFUULBXSYHQ-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570909 844783181 /nfs/dbraw/zinc/78/31/81/844783181.db2.gz LHXCLXQTPPSNKT-BRWVUGGUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584253 844785132 /nfs/dbraw/zinc/78/51/32/844785132.db2.gz JNPOWHQPAIIYRU-QLFBSQMISA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001103999786 844851717 /nfs/dbraw/zinc/85/17/17/844851717.db2.gz LDJASSAWNQIAPZ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001103999823 844852265 /nfs/dbraw/zinc/85/22/65/844852265.db2.gz LVZGRKYEVALCRD-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104186331 844872541 /nfs/dbraw/zinc/87/25/41/844872541.db2.gz ZBZGUMOXVUAXJZ-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CCOCCO ZINC001104202672 844876746 /nfs/dbraw/zinc/87/67/46/844876746.db2.gz KRPKNNNAURSVCW-KBAYOESNSA-N 2 0 353.507 0.411 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104288347 844890409 /nfs/dbraw/zinc/89/04/09/844890409.db2.gz WDGGPWQRYOASHW-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291074 844891484 /nfs/dbraw/zinc/89/14/84/844891484.db2.gz IILUILDONVTXTI-QGPMSJSTSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001104322396 844894130 /nfs/dbraw/zinc/89/41/30/844894130.db2.gz HAQGIIAJQHGMOF-OAGGEKHMSA-N 2 0 361.552 0.691 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001104322626 844894402 /nfs/dbraw/zinc/89/44/02/844894402.db2.gz VFXGYRLEFSLVQY-FMKPAKJESA-N 2 0 351.499 0.371 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385489 844905275 /nfs/dbraw/zinc/90/52/75/844905275.db2.gz YAHQAXMIHQDIOA-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCCO ZINC001104433507 844910790 /nfs/dbraw/zinc/91/07/90/844910790.db2.gz HMLAHILRAKOMQZ-LDBBTLTOSA-N 2 0 351.491 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104599795 844923651 /nfs/dbraw/zinc/92/36/51/844923651.db2.gz FLQACIZDDHDLOL-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104621251 844927021 /nfs/dbraw/zinc/92/70/21/844927021.db2.gz CGCFWXMECQZVEJ-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104624290 844928096 /nfs/dbraw/zinc/92/80/96/844928096.db2.gz RYADAYOQSUPHPY-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001104641583 844928941 /nfs/dbraw/zinc/92/89/41/844928941.db2.gz VBDSAZLNQKMPDK-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104809869 844946171 /nfs/dbraw/zinc/94/61/71/844946171.db2.gz STCJXGRMERIKNQ-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001104908522 844958739 /nfs/dbraw/zinc/95/87/39/844958739.db2.gz ZZRJAKBWXSDRAR-BZUAXINKSA-N 2 0 356.511 0.116 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062125 844975080 /nfs/dbraw/zinc/97/50/80/844975080.db2.gz ALJLUVQNLBAANE-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105066679 844977265 /nfs/dbraw/zinc/97/72/65/844977265.db2.gz BHLKGYAKLKNAIH-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105242981 844983997 /nfs/dbraw/zinc/98/39/97/844983997.db2.gz PMOPGSTULQKYNP-CZUORRHYSA-N 2 0 350.467 0.128 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105659757 845011826 /nfs/dbraw/zinc/01/18/26/845011826.db2.gz PXENEQPUPQURCI-PSBWJHGTSA-N 2 0 355.523 0.677 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105664156 845012224 /nfs/dbraw/zinc/01/22/24/845012224.db2.gz WXUPUXSECOBZDV-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668107 845014633 /nfs/dbraw/zinc/01/46/33/845014633.db2.gz HRDWNIWLLVJSLJ-ZAWLATJESA-N 2 0 353.507 0.431 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105941565 845062839 /nfs/dbraw/zinc/06/28/39/845062839.db2.gz BWRSNAPGJAZPQK-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941675 845063369 /nfs/dbraw/zinc/06/33/69/845063369.db2.gz HLUDNAFQBPISAL-BZUAXINKSA-N 2 0 353.511 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105945878 845064676 /nfs/dbraw/zinc/06/46/76/845064676.db2.gz HEGSQYZWSLIWFA-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106211020 845135347 /nfs/dbraw/zinc/13/53/47/845135347.db2.gz NHSAXGDIOIPJSC-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106248567 845143070 /nfs/dbraw/zinc/14/30/70/845143070.db2.gz SWHNGJVERINQKP-QLFBSQMISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106323052 845154055 /nfs/dbraw/zinc/15/40/55/845154055.db2.gz WLYNGRAHRNDCTL-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106370790 845165108 /nfs/dbraw/zinc/16/51/08/845165108.db2.gz AJGZZRDZHOTRDQ-HZPDHXFCSA-N 2 0 371.547 0.734 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106478434 845180576 /nfs/dbraw/zinc/18/05/76/845180576.db2.gz XLKDSTJMBARIFV-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)CS(C)(=O)=O ZINC001106600214 845202261 /nfs/dbraw/zinc/20/22/61/845202261.db2.gz UMTIBMHRTNLYAR-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106621494 845206801 /nfs/dbraw/zinc/20/68/01/845206801.db2.gz NURIELBYKDHREG-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001106622634 845207326 /nfs/dbraw/zinc/20/73/26/845207326.db2.gz IKPJERXZHPFPJW-ZIAGYGMSSA-N 2 0 351.499 0.564 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001106666323 845218285 /nfs/dbraw/zinc/21/82/85/845218285.db2.gz KPCXJBWSCDQRPW-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666253 845219229 /nfs/dbraw/zinc/21/92/29/845219229.db2.gz IBYUPSFNLOPKSH-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666922 845220432 /nfs/dbraw/zinc/22/04/32/845220432.db2.gz ZZUCJEQASJFOOG-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106729450 845235644 /nfs/dbraw/zinc/23/56/44/845235644.db2.gz RDHXJVSFMQTBPC-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752139 845241531 /nfs/dbraw/zinc/24/15/31/845241531.db2.gz QBMWRTDIMNFPLG-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797092 845255743 /nfs/dbraw/zinc/25/57/43/845255743.db2.gz ICLUKBULVPMXMV-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106839988 845265593 /nfs/dbraw/zinc/26/55/93/845265593.db2.gz SXWOWOKKQPVDFR-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106840194 845265711 /nfs/dbraw/zinc/26/57/11/845265711.db2.gz CPVNWBAHZXHMPT-CHWSQXEVSA-N 2 0 368.507 0.503 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOCC(F)(F)F ZINC001106881862 845278513 /nfs/dbraw/zinc/27/85/13/845278513.db2.gz MWFNIKYWEZIIKU-ZIAGYGMSSA-N 2 0 369.428 0.828 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001106899875 845281673 /nfs/dbraw/zinc/28/16/73/845281673.db2.gz LSLYVJKNCCJXAQ-QLFBSQMISA-N 2 0 351.499 0.687 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1 ZINC001106909768 845284645 /nfs/dbraw/zinc/28/46/45/845284645.db2.gz MAVSPPRMKMERSF-ZIAGYGMSSA-N 2 0 353.467 0.742 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981155 845298595 /nfs/dbraw/zinc/29/85/95/845298595.db2.gz HJOPBKFPRSVZCE-OWCLPIDISA-N 2 0 353.511 0.330 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001106983805 845300181 /nfs/dbraw/zinc/30/01/81/845300181.db2.gz KKKQYURQLFSIKF-BRWVUGGUSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106984292 845301381 /nfs/dbraw/zinc/30/13/81/845301381.db2.gz HMEYFWCDXUUXMK-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042454 845317318 /nfs/dbraw/zinc/31/73/18/845317318.db2.gz NDOAAQOEMZFYSH-HZPDHXFCSA-N 2 0 355.527 0.718 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)CCC1 ZINC001107436827 845373028 /nfs/dbraw/zinc/37/30/28/845373028.db2.gz SENWWCFPVTZPEG-SJLPKXTDSA-N 2 0 353.507 0.840 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436575 845373168 /nfs/dbraw/zinc/37/31/68/845373168.db2.gz FBQUDPORTRKOJP-CRAIPNDOSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444729 845374456 /nfs/dbraw/zinc/37/44/56/845374456.db2.gz YKXCXSZFINIYRC-MJQMVNBJSA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC001107530830 845391096 /nfs/dbraw/zinc/39/10/96/845391096.db2.gz OGPBCUAPWBXLRA-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530152 845392478 /nfs/dbraw/zinc/39/24/78/845392478.db2.gz JCTIILISRMYFPO-ZHALLVOQSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2 ZINC001107534008 845392869 /nfs/dbraw/zinc/39/28/69/845392869.db2.gz RXHHARNHEYNEAK-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632084 845411568 /nfs/dbraw/zinc/41/15/68/845411568.db2.gz PTGKJUNRPYZAIX-GPMSIDNRSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107646118 845415370 /nfs/dbraw/zinc/41/53/70/845415370.db2.gz CUDLMLNQLNHYPO-SZVBFZGTSA-N 2 0 350.507 0.953 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115161 845798413 /nfs/dbraw/zinc/79/84/13/845798413.db2.gz QFNMEZBJFCMGQL-BDXSIMOUSA-N 2 0 353.507 0.981 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188658 845817345 /nfs/dbraw/zinc/81/73/45/845817345.db2.gz KXUQBJKOZRLHNN-OWSLCNJRSA-N 2 0 353.507 0.981 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565784 845920143 /nfs/dbraw/zinc/92/01/43/845920143.db2.gz NHDWUHXTNDHIBR-VQHPVUNQSA-N 2 0 353.507 0.980 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001110616809 845929969 /nfs/dbraw/zinc/92/99/69/845929969.db2.gz RSFBXBFILIMCKG-QXSJWSMHSA-N 2 0 352.458 0.680 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001110847587 845980910 /nfs/dbraw/zinc/98/09/10/845980910.db2.gz XTIKHNQQNQNDCT-BDXSIMOUSA-N 2 0 351.491 0.591 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466067 846117623 /nfs/dbraw/zinc/11/76/23/846117623.db2.gz FRGKNGNTVJPYGC-ZACQAIPSSA-N 2 0 354.495 0.201 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276829915 861642548 /nfs/dbraw/zinc/64/25/48/861642548.db2.gz YTKMKQLITYBMPX-GJZGRUSLSA-N 2 0 355.479 0.080 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753253 846191479 /nfs/dbraw/zinc/19/14/79/846191479.db2.gz MSMKMLWMWOZBQH-OLMMMNRUSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2)[NH+](C)C ZINC001111788887 846206025 /nfs/dbraw/zinc/20/60/25/846206025.db2.gz NQLVSXCXMYLWDY-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001111854352 846231206 /nfs/dbraw/zinc/23/12/06/846231206.db2.gz OQEXFKOAEGVDMB-KXBFYZLASA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111871010 846239891 /nfs/dbraw/zinc/23/98/91/846239891.db2.gz WLJYKZXUDNNTCN-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111937929 846268679 /nfs/dbraw/zinc/26/86/79/846268679.db2.gz CIHDFCMBTSJYSQ-LNLFQRSKSA-N 2 0 353.507 0.962 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939532 846270328 /nfs/dbraw/zinc/27/03/28/846270328.db2.gz FROPNHNDGHEWTR-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCCC1)C2 ZINC001111949507 846271400 /nfs/dbraw/zinc/27/14/00/846271400.db2.gz INGFKPBCDKMQHZ-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111949823 846271517 /nfs/dbraw/zinc/27/15/17/846271517.db2.gz VNNYSUQEKJPZTR-DOXZYTNZSA-N 2 0 350.507 0.966 20 0 FCADRP CCOC(=O)CCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276887878 861670234 /nfs/dbraw/zinc/67/02/34/861670234.db2.gz IOYVSTSBOACWGM-SFHVURJKSA-N 2 0 353.463 0.732 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001112103420 846383306 /nfs/dbraw/zinc/38/33/06/846383306.db2.gz FKFDMQSOPCPYNY-AAVRWANBSA-N 2 0 367.412 0.314 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001112114131 846394234 /nfs/dbraw/zinc/39/42/34/846394234.db2.gz ARBBEXWAJIDQIR-MGPQQGTHSA-N 2 0 367.412 0.314 20 0 FCADRP CCOC(=O)CCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276888350 861672184 /nfs/dbraw/zinc/67/21/84/861672184.db2.gz ABPJQMRJCAAQAU-SFHVURJKSA-N 2 0 355.479 0.585 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112160224 846426847 /nfs/dbraw/zinc/42/68/47/846426847.db2.gz YQEWMVKJFLIYSU-IJLUTSLNSA-N 2 0 352.401 0.394 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112190342 846450455 /nfs/dbraw/zinc/45/04/55/846450455.db2.gz WYPDDXHIXHGTDX-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001112198132 846456780 /nfs/dbraw/zinc/45/67/80/846456780.db2.gz CJASVIBUDSYTNC-GRYCIOLGSA-N 2 0 352.401 0.571 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112438894 846504703 /nfs/dbraw/zinc/50/47/03/846504703.db2.gz JWZYCVSVXXEAGP-KHYOSLBOSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518719 846512008 /nfs/dbraw/zinc/51/20/08/846512008.db2.gz YXQJNFJYDWCZFZ-FCEWJHQRSA-N 2 0 353.507 0.554 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524240 846514466 /nfs/dbraw/zinc/51/44/66/846514466.db2.gz CWBUMWJLLFYUEP-BMFAXAFESA-N 2 0 355.523 0.798 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112529612 846515887 /nfs/dbraw/zinc/51/58/87/846515887.db2.gz HUWMLFAKIBJIIX-LNLFQRSKSA-N 2 0 353.507 0.698 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)CC1 ZINC001112552748 846522432 /nfs/dbraw/zinc/52/24/32/846522432.db2.gz MZAHNVKQQGEHGL-LPHOPBHVSA-N 2 0 353.507 0.698 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112563709 846525241 /nfs/dbraw/zinc/52/52/41/846525241.db2.gz JZSQMSLUQQLGEO-RYRKJORJSA-N 2 0 371.547 0.591 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccon2)C1 ZINC001112563630 846525461 /nfs/dbraw/zinc/52/54/61/846525461.db2.gz FOLJGLVMORDFRI-YJBOKZPZSA-N 2 0 350.463 0.971 20 0 FCADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCCCNC1=O)[C@H]1CCCCNC1=O ZINC001116414608 846676578 /nfs/dbraw/zinc/67/65/78/846676578.db2.gz QMHDQBNNLDUKDA-IYBDPMFKSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276960008 861707136 /nfs/dbraw/zinc/70/71/36/861707136.db2.gz NDHJBCLKEQFJAR-IRXDYDNUSA-N 2 0 352.523 0.223 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116952411 846817562 /nfs/dbraw/zinc/81/75/62/846817562.db2.gz GQPQVHLDOLONJN-YVSFHVDLSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001117122033 846898876 /nfs/dbraw/zinc/89/88/76/846898876.db2.gz FNRADXBEGDAOKX-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001117356477 846977902 /nfs/dbraw/zinc/97/79/02/846977902.db2.gz LUNJJIXDXJXDCB-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CCSC2)C1 ZINC001117858762 847187866 /nfs/dbraw/zinc/18/78/66/847187866.db2.gz QNOHWEWIPQSPRQ-SFHVURJKSA-N 2 0 370.563 0.684 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC001117955315 847229148 /nfs/dbraw/zinc/22/91/48/847229148.db2.gz NBQRZYFDSSLXOR-GFCCVEGCSA-N 2 0 354.426 0.819 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119481895 847857921 /nfs/dbraw/zinc/85/79/21/847857921.db2.gz ANTHDSHZLSPMFR-BBWFWOEESA-N 2 0 353.511 0.162 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cn1 ZINC001119764980 847968318 /nfs/dbraw/zinc/96/83/18/847968318.db2.gz DJKSHHAGNAALOO-HZPDHXFCSA-N 2 0 350.467 0.508 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC001120474879 848214634 /nfs/dbraw/zinc/21/46/34/848214634.db2.gz NINFMTXOGCNVLO-JHJVBQTASA-N 2 0 352.401 0.874 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2C)CC1=O ZINC001120810735 848287478 /nfs/dbraw/zinc/28/74/78/848287478.db2.gz VHTZKZCQISNBDR-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001121133787 848321951 /nfs/dbraw/zinc/32/19/51/848321951.db2.gz HJNKRBBXIGETRE-ZHIXCNEBSA-N 2 0 371.547 0.778 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)CCSCCC[NH3+])ccn2)CC1 ZINC001121928579 848419860 /nfs/dbraw/zinc/41/98/60/848419860.db2.gz QRRMQROTDQMROP-UHFFFAOYSA-N 2 0 351.520 0.922 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001122005365 848432662 /nfs/dbraw/zinc/43/26/62/848432662.db2.gz YVORVUCZAIEXHR-ZIFCJYIRSA-N 2 0 350.507 0.431 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564652 848606623 /nfs/dbraw/zinc/60/66/23/848606623.db2.gz ORQVESCJPNOKBL-SJORKVTESA-N 2 0 350.507 0.526 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC001127695480 848732773 /nfs/dbraw/zinc/73/27/73/848732773.db2.gz NPAAZXXOTZCROP-UONOGXRCSA-N 2 0 363.487 0.692 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263062 848823566 /nfs/dbraw/zinc/82/35/66/848823566.db2.gz ZRDMXJRDENAJOD-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129337842 848832280 /nfs/dbraw/zinc/83/22/80/848832280.db2.gz ZSPMTOAZBGFAEQ-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686106 848881312 /nfs/dbraw/zinc/88/13/12/848881312.db2.gz XEIKIOMHFNFECB-OAGGEKHMSA-N 2 0 350.467 0.139 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129849977 848902012 /nfs/dbraw/zinc/90/20/12/848902012.db2.gz GZJNMHWGSOAAMB-JINXCLPWSA-N 2 0 364.881 0.714 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910263 848913346 /nfs/dbraw/zinc/91/33/46/848913346.db2.gz LFHKDQJXAHBQCP-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129919214 848916030 /nfs/dbraw/zinc/91/60/30/848916030.db2.gz QLNNGDCTAQYYBW-CABCVRRESA-N 2 0 352.483 0.386 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994517 848927980 /nfs/dbraw/zinc/92/79/80/848927980.db2.gz SNOMEGZJDMIVQC-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094869 848944560 /nfs/dbraw/zinc/94/45/60/848944560.db2.gz UIQMADJWCABOOX-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136943 848950216 /nfs/dbraw/zinc/95/02/16/848950216.db2.gz AGTCNLODNKQMQC-OAGGEKHMSA-N 2 0 352.483 0.121 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137430 848951479 /nfs/dbraw/zinc/95/14/79/848951479.db2.gz YZUXIXMLDRMYQK-PMPSAXMXSA-N 2 0 352.458 0.854 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130148500 848953333 /nfs/dbraw/zinc/95/33/33/848953333.db2.gz UESXGAVLWVIYAW-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)[nH]1 ZINC001130235191 848983265 /nfs/dbraw/zinc/98/32/65/848983265.db2.gz XLGSMAYBQDPTAI-MEJFOKSDSA-N 2 0 370.885 0.587 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC[NH+](C)C)[nH]1 ZINC001130246056 848985917 /nfs/dbraw/zinc/98/59/17/848985917.db2.gz CEJNIJGFEOIDFW-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130299071 848998163 /nfs/dbraw/zinc/99/81/63/848998163.db2.gz VXRMWWHWKZCZPI-QAPCUYQASA-N 2 0 356.486 0.773 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130675590 849025967 /nfs/dbraw/zinc/02/59/67/849025967.db2.gz XDGTWMIFZSYZOB-UAGQMJEPSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817196 849047894 /nfs/dbraw/zinc/04/78/94/849047894.db2.gz FHVCUQBJHVOXHJ-HZSPNIEDSA-N 2 0 350.467 0.592 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131017629 849071738 /nfs/dbraw/zinc/07/17/38/849071738.db2.gz DFGPUMHSYJDFEW-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)OC ZINC001131061834 849075921 /nfs/dbraw/zinc/07/59/21/849075921.db2.gz NQXUDBMKWQQHMF-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131101352 849079893 /nfs/dbraw/zinc/07/98/93/849079893.db2.gz XBHDHBQLPFTOGO-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131316103 849094914 /nfs/dbraw/zinc/09/49/14/849094914.db2.gz BKTCOQUYQBBIHD-XHSDSOJGSA-N 2 0 352.479 0.843 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316351 849095660 /nfs/dbraw/zinc/09/56/60/849095660.db2.gz FZGXHTXBZCQIBJ-XHSDSOJGSA-N 2 0 352.479 0.843 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCC)C[C@H]32)C1 ZINC001131316738 849096748 /nfs/dbraw/zinc/09/67/48/849096748.db2.gz UDLNGVSSPUEACM-XHSDSOJGSA-N 2 0 352.479 0.844 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131582961 849126808 /nfs/dbraw/zinc/12/68/08/849126808.db2.gz IOTKPRZOECWMQD-LXZKKBNFSA-N 2 0 354.495 0.188 20 0 FCADRP CN1CCN(c2ncc(C[NH+]3CCC4(CC3)CNC(=O)CO4)s2)CC1 ZINC001139323556 849335673 /nfs/dbraw/zinc/33/56/73/849335673.db2.gz MCRTUXQYLFHDPP-UHFFFAOYSA-N 2 0 365.503 0.376 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001142590481 849453710 /nfs/dbraw/zinc/45/37/10/849453710.db2.gz AVELTESFQPWMQO-UHFFFAOYSA-N 2 0 354.476 0.273 20 0 FCADRP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C1CCCC1 ZINC001154888756 849818873 /nfs/dbraw/zinc/81/88/73/849818873.db2.gz GMRPOCJXUNAOOO-HOTGVXAUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157844091 849999640 /nfs/dbraw/zinc/99/96/40/849999640.db2.gz UZAKLAGQXWXVGF-FZKCQIBNSA-N 3 0 353.511 0.020 20 0 FCADRP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157857000 850000536 /nfs/dbraw/zinc/00/05/36/850000536.db2.gz YTZZOEWEQPXBPD-UGUYLWEFSA-N 2 0 354.495 0.053 20 0 FCADRP CCS(=O)(=O)N(c1cccc(N2CC[NH+](C)CC2)n1)C1CC[NH2+]CC1 ZINC001157896215 850002634 /nfs/dbraw/zinc/00/26/34/850002634.db2.gz FEYPGNCIGQPIPJ-UHFFFAOYSA-N 2 0 367.519 0.742 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157981700 850009365 /nfs/dbraw/zinc/00/93/65/850009365.db2.gz HDUNQDSOZIFJBE-LBPRGKRZSA-N 2 0 352.401 0.715 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250510 850029315 /nfs/dbraw/zinc/02/93/15/850029315.db2.gz UMJRBQYACGLWMD-LYSPQLLHSA-N 2 0 355.426 0.758 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250521 850029698 /nfs/dbraw/zinc/02/96/98/850029698.db2.gz URJTVGOPPFWHNS-JHJVBQTASA-N 2 0 363.380 0.813 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262998 850030181 /nfs/dbraw/zinc/03/01/81/850030181.db2.gz XQJSUAGLOYGAIH-GHMZBOCLSA-N 2 0 358.368 0.097 20 0 FCADRP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(F)(F)C1CC[NH2+]CC1 ZINC001158276599 850034130 /nfs/dbraw/zinc/03/41/30/850034130.db2.gz AIGLPZDFICRVHQ-UHFFFAOYSA-N 2 0 354.405 0.334 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001158380040 850041452 /nfs/dbraw/zinc/04/14/52/850041452.db2.gz KQUBPXPTYJAANO-JHJVBQTASA-N 2 0 355.401 0.362 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CCC[NH2+]C)C2 ZINC001158380534 850042034 /nfs/dbraw/zinc/04/20/34/850042034.db2.gz FBIPNNWRNPTAMK-KBPBESRZSA-N 2 0 351.369 0.530 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[NH+](CC)CC)C2 ZINC001158384069 850043538 /nfs/dbraw/zinc/04/35/38/850043538.db2.gz QETXTEKCLQHRTM-LSDHHAIUSA-N 2 0 365.396 0.872 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C(C)(C)C[NH3+])C2 ZINC001158382766 850043560 /nfs/dbraw/zinc/04/35/60/850043560.db2.gz KZUSGVVVHVCRSY-KGLIPLIRSA-N 2 0 351.369 0.515 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC001158385335 850044306 /nfs/dbraw/zinc/04/43/06/850044306.db2.gz WALVADAFGGJQGR-GLQYFDAESA-N 2 0 363.380 0.672 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001158403546 850047378 /nfs/dbraw/zinc/04/73/78/850047378.db2.gz JNHKMKSOOQMOSA-OWCLPIDISA-N 2 0 359.536 0.637 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1nc2c(s1)C[NH2+]CC2 ZINC001158513034 850058364 /nfs/dbraw/zinc/05/83/64/850058364.db2.gz GTPDSPBPFKVFJD-ZMLRMANQSA-N 2 0 350.444 0.154 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534793 850059231 /nfs/dbraw/zinc/05/92/31/850059231.db2.gz TYDZEAUFYQDUBI-ZUMXRPEOSA-N 2 0 353.463 0.286 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158576793 850060191 /nfs/dbraw/zinc/06/01/91/850060191.db2.gz DPKIHNIRVIERNA-KKUMJFAQSA-N 2 0 355.454 0.782 20 0 FCADRP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001158782553 850075547 /nfs/dbraw/zinc/07/55/47/850075547.db2.gz UZMPVEDKVGIGAB-LBPRGKRZSA-N 2 0 367.519 0.619 20 0 FCADRP [NH3+]CCN(c1cc(C[NH3+])ncn1)S(=O)(=O)c1cccc2cnccc21 ZINC001159067978 850093993 /nfs/dbraw/zinc/09/39/93/850093993.db2.gz PBWIFTQJKQZHNK-UHFFFAOYSA-N 2 0 358.427 0.638 20 0 FCADRP CCOC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)Cc2cnn(C)c21 ZINC001159395665 850111083 /nfs/dbraw/zinc/11/10/83/850111083.db2.gz XSGXSBCVMQOEAX-CVEARBPZSA-N 2 0 351.495 0.942 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819198 850138132 /nfs/dbraw/zinc/13/81/32/850138132.db2.gz VWRKNJXJLCNCOM-DZGCQCFKSA-N 2 0 352.479 0.119 20 0 FCADRP O=C(N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159832068 850139632 /nfs/dbraw/zinc/13/96/32/850139632.db2.gz AZXTVSANBQYEAU-ATNYBXOESA-N 2 0 361.515 0.517 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834933 850139651 /nfs/dbraw/zinc/13/96/51/850139651.db2.gz WUHBQMZEWMRRGS-IHRRRGAJSA-N 3 0 369.560 0.585 20 0 FCADRP CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2c2ccccc21 ZINC001160201237 850159209 /nfs/dbraw/zinc/15/92/09/850159209.db2.gz DVNFWTCHULRHMN-CFVMTHIKSA-N 2 0 366.487 0.074 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160387787 850170037 /nfs/dbraw/zinc/17/00/37/850170037.db2.gz DAKVCFKTUKSTCQ-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])CC1 ZINC001160483128 850175586 /nfs/dbraw/zinc/17/55/86/850175586.db2.gz OAZYQPRWQRERFR-ZFWWWQNUSA-N 2 0 354.495 0.630 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160507265 850177952 /nfs/dbraw/zinc/17/79/52/850177952.db2.gz WEYFZWIQBMQJJD-NSHDSACASA-N 2 0 359.883 0.519 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647823 850187567 /nfs/dbraw/zinc/18/75/67/850187567.db2.gz USGVRFUXCZYXLM-MJBXVCDLSA-N 2 0 351.426 0.207 20 0 FCADRP CC(C)[C@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160669847 850190975 /nfs/dbraw/zinc/19/09/75/850190975.db2.gz NGTKJWMNFNUBIY-HRCADAONSA-N 2 0 354.495 0.317 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160669420 850191390 /nfs/dbraw/zinc/19/13/90/850191390.db2.gz DJTJDSBZHKLENG-INIZCTEOSA-N 3 0 350.507 0.574 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3CC[NH2+]C[C@H]3F)C[C@H]1C2 ZINC001160795265 850198199 /nfs/dbraw/zinc/19/81/99/850198199.db2.gz VXJSKRJLUPUBLR-RUEXJQGXSA-N 2 0 353.438 0.181 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001453 850220117 /nfs/dbraw/zinc/22/01/17/850220117.db2.gz YOJASVMUNHRIJH-RDJZCZTQSA-N 3 0 350.507 0.166 20 0 FCADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008682 850220806 /nfs/dbraw/zinc/22/08/06/850220806.db2.gz QTMHNFJSFDARAO-AWEZNQCLSA-N 2 0 350.488 0.939 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152336 850234949 /nfs/dbraw/zinc/23/49/49/850234949.db2.gz HCBUCCIRMHCDMP-QWRGUYRKSA-N 2 0 359.352 0.161 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001161157844 850235617 /nfs/dbraw/zinc/23/56/17/850235617.db2.gz LWUGFISHRFWRPX-HOTGVXAUSA-N 2 0 357.495 0.776 20 0 FCADRP C[C@@]1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001161196638 850239184 /nfs/dbraw/zinc/23/91/84/850239184.db2.gz PPLRRZBGRDGIOC-IBGZPJMESA-N 2 0 352.523 0.679 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C2CC[NH2+]CC2)n1 ZINC001161310053 850250610 /nfs/dbraw/zinc/25/06/10/850250610.db2.gz WYPZDMPQYLBSPT-JSGCOSHPSA-N 2 0 351.426 0.969 20 0 FCADRP CN(CC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161321694 850252071 /nfs/dbraw/zinc/25/20/71/850252071.db2.gz NJUDRAYDHXTJGO-BQFCYCMXSA-N 2 0 352.523 0.948 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(Oc2nccc(OC)n2)CC1 ZINC001161367133 850254652 /nfs/dbraw/zinc/25/46/52/850254652.db2.gz GIDBJGKWJCSCPK-AWEZNQCLSA-N 2 0 351.451 0.572 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382242 850256145 /nfs/dbraw/zinc/25/61/45/850256145.db2.gz VVDAKOCRYUIGED-XHSDSOJGSA-N 2 0 354.495 0.188 20 0 FCADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC[NH2+]C2)cc1 ZINC001161419061 850258157 /nfs/dbraw/zinc/25/81/57/850258157.db2.gz WKDBEEWSUDOPTD-HNNXBMFYSA-N 2 0 354.476 0.160 20 0 FCADRP C[NH2+][C@H](C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479637 850262103 /nfs/dbraw/zinc/26/21/03/850262103.db2.gz QFSROTBERLRTHM-KHSSZTOVSA-N 2 0 355.479 0.532 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001162732741 850329288 /nfs/dbraw/zinc/32/92/88/850329288.db2.gz HUAXAAHUYLUXPD-HUUCEWRRSA-N 2 0 351.451 0.760 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277833322 862121064 /nfs/dbraw/zinc/12/10/64/862121064.db2.gz BYGYJMABICZPKL-QGZVFWFLSA-N 3 0 354.539 0.565 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833097 862121106 /nfs/dbraw/zinc/12/11/06/862121106.db2.gz BFNRBOUKOMTSTC-YOEHRIQHSA-N 2 0 363.449 0.505 20 0 FCADRP CCc1cc(N[C@@H](CCCC[NH3+])C(=O)NC)nc(N2CCOCC2)[nH+]1 ZINC001163444345 850367684 /nfs/dbraw/zinc/36/76/84/850367684.db2.gz BLMUFNAHWHAXQY-AWEZNQCLSA-N 2 0 350.467 0.531 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001277833350 862121186 /nfs/dbraw/zinc/12/11/86/862121186.db2.gz CIQVJSKYAKVDFN-QGZVFWFLSA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001164582024 850417276 /nfs/dbraw/zinc/41/72/76/850417276.db2.gz CNSYBYVOGVGDNL-HUUCEWRRSA-N 2 0 351.495 0.228 20 0 FCADRP Cc1nnc(CNCC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)o1 ZINC001165728264 850453422 /nfs/dbraw/zinc/45/34/22/850453422.db2.gz ONKBDONOOSUXIN-TZMCWYRMSA-N 2 0 351.451 0.473 20 0 FCADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001167883736 850560457 /nfs/dbraw/zinc/56/04/57/850560457.db2.gz MJRLBLZEVBPUEO-UHFFFAOYSA-N 3 0 368.507 0.392 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169133189 850608342 /nfs/dbraw/zinc/60/83/42/850608342.db2.gz CPZFORLUCRIWMB-QDMKHBRRSA-N 2 0 367.519 0.416 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CO1 ZINC001169359983 850619038 /nfs/dbraw/zinc/61/90/38/850619038.db2.gz XESIQYWUAKOIPK-VGWMRTNUSA-N 2 0 355.479 0.676 20 0 FCADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CO1 ZINC001169359982 850619505 /nfs/dbraw/zinc/61/95/05/850619505.db2.gz XESIQYWUAKOIPK-KLHDSHLOSA-N 2 0 355.479 0.676 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CC([NH3+])C2)C[C@H]1C(=O)N1CCSC1 ZINC001170025080 850643741 /nfs/dbraw/zinc/64/37/41/850643741.db2.gz GBUSUWWLAOJXKN-HOAMVYINSA-N 2 0 370.519 0.977 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cncc(N3CCC([NH3+])CC3)n2)O1 ZINC001170274429 850648912 /nfs/dbraw/zinc/64/89/12/850648912.db2.gz XJYPUGIMJUWHSO-CKEIUWERSA-N 2 0 350.467 0.541 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172531 850707660 /nfs/dbraw/zinc/70/76/60/850707660.db2.gz FKJDOCVBJNZBAW-XMTFNYHQSA-N 2 0 351.491 0.809 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)N(O)N=O ZINC001172664943 850712880 /nfs/dbraw/zinc/71/28/80/850712880.db2.gz SYZGRBIHBMANOX-HNNXBMFYSA-N 2 0 350.423 0.316 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C3CCN(C(=O)OC)CC3)CC[C@@H]2C1 ZINC001172737008 850714081 /nfs/dbraw/zinc/71/40/81/850714081.db2.gz GURFNOCCHNUOKD-NVXWUHKLSA-N 2 0 355.479 0.886 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001178701484 850918494 /nfs/dbraw/zinc/91/84/94/850918494.db2.gz KSUNGGFEHOBFFL-MRXNPFEDSA-N 2 0 366.487 0.417 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731194 850921819 /nfs/dbraw/zinc/92/18/19/850921819.db2.gz ORUPLFCQCPXEMA-QXSJWSMHSA-N 2 0 354.495 0.058 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001278101399 862186472 /nfs/dbraw/zinc/18/64/72/862186472.db2.gz LHVWANQYOWSJOE-UHFFFAOYSA-N 2 0 355.552 0.299 20 0 FCADRP C=C(F)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001180119389 851014661 /nfs/dbraw/zinc/01/46/61/851014661.db2.gz UCKKAZOLOPYRPD-IICXDKKESA-N 2 0 361.458 0.765 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC001180351923 851028428 /nfs/dbraw/zinc/02/84/28/851028428.db2.gz CVEXNXCNYCNQOD-IYARVYRRSA-N 2 0 352.523 0.772 20 0 FCADRP C[N@H+](CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)C1CCCC1 ZINC001180626205 851055236 /nfs/dbraw/zinc/05/52/36/851055236.db2.gz IFNQADIOHLWENP-UHFFFAOYSA-N 2 0 370.475 0.483 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[C@@]1(F)Cl)CC2 ZINC001181657826 851126401 /nfs/dbraw/zinc/12/64/01/851126401.db2.gz CRYXGULJBHBEJX-DYVFJYSZSA-N 2 0 374.888 0.608 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001182031681 851146249 /nfs/dbraw/zinc/14/62/49/851146249.db2.gz OLFOGRMACTXBAS-HNNXBMFYSA-N 2 0 353.507 0.981 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001182676348 851190434 /nfs/dbraw/zinc/19/04/34/851190434.db2.gz IXJRABRHXGGDHX-MGPQQGTHSA-N 2 0 365.503 0.921 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944916 851630381 /nfs/dbraw/zinc/63/03/81/851630381.db2.gz OXAMIKUIVNJSQH-OKZBNKHCSA-N 2 0 351.491 0.524 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001188964103 851738247 /nfs/dbraw/zinc/73/82/47/851738247.db2.gz UXURLWOVLJQXOG-LSDHHAIUSA-N 2 0 350.463 0.010 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189479058 851793685 /nfs/dbraw/zinc/79/36/85/851793685.db2.gz XCILDTIIKXEUSS-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189810613 851826882 /nfs/dbraw/zinc/82/68/82/851826882.db2.gz COICDRNVRZVTKW-JKSUJKDBSA-N 2 0 350.463 0.902 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189810948 851826932 /nfs/dbraw/zinc/82/69/32/851826932.db2.gz OPDRTBUXADLOFO-KSZLIROESA-N 2 0 353.507 0.912 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178390 851870554 /nfs/dbraw/zinc/87/05/54/851870554.db2.gz YKFXYGBZHGEGMA-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)C)CC3)[C@@H]2C1 ZINC001278385410 862309929 /nfs/dbraw/zinc/30/99/29/862309929.db2.gz LYJAMXSYOHSPBC-HUUCEWRRSA-N 2 0 350.507 0.633 20 0 FCADRP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278426144 862322311 /nfs/dbraw/zinc/32/23/11/862322311.db2.gz KIBULSPYEHGYGQ-GJZGRUSLSA-N 2 0 368.547 0.340 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728812 852478093 /nfs/dbraw/zinc/47/80/93/852478093.db2.gz TXABHUNFLHSWEG-RCCFBDPRSA-N 2 0 355.523 0.941 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193738087 852479791 /nfs/dbraw/zinc/47/97/91/852479791.db2.gz MSWMEEHZXMLHCS-BRWVUGGUSA-N 2 0 357.495 0.074 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001193766268 852485454 /nfs/dbraw/zinc/48/54/54/852485454.db2.gz QXFICGRXOOBYAF-ZACQAIPSSA-N 2 0 353.507 0.837 20 0 FCADRP CC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102437 852537119 /nfs/dbraw/zinc/53/71/19/852537119.db2.gz KYBNYAOXQUKZTN-SDKBWNRFSA-N 2 0 353.507 0.862 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194244697 852564415 /nfs/dbraw/zinc/56/44/15/852564415.db2.gz WNAIPDXGMIJNRN-BRWVUGGUSA-N 2 0 355.523 0.819 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)CCCCC1 ZINC001194960664 852680162 /nfs/dbraw/zinc/68/01/62/852680162.db2.gz BVICPYYEORPQJU-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC001195004515 852690821 /nfs/dbraw/zinc/69/08/21/852690821.db2.gz SGOFEWVZZSKKDN-UHFFFAOYSA-N 2 0 373.454 0.875 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001195676768 852810642 /nfs/dbraw/zinc/81/06/42/852810642.db2.gz KEIGBFPBBBTSEL-IXDOHACOSA-N 2 0 353.507 0.431 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[NH+]1CCCC1 ZINC001196306732 852934827 /nfs/dbraw/zinc/93/48/27/852934827.db2.gz HLKJYUVVHFYHTQ-BRWVUGGUSA-N 2 0 359.486 0.788 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001197826412 853169053 /nfs/dbraw/zinc/16/90/53/853169053.db2.gz WFPDWQDHAKWESR-RBSFLKMASA-N 2 0 363.449 0.551 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O ZINC001198699685 853304915 /nfs/dbraw/zinc/30/49/15/853304915.db2.gz WSZVZIVJURNOHF-CGTJXYLNSA-N 2 0 353.507 0.696 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001199071022 853363294 /nfs/dbraw/zinc/36/32/94/853363294.db2.gz DBNYDJKGRDUQNO-MGPQQGTHSA-N 2 0 367.412 0.337 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001199095735 853369689 /nfs/dbraw/zinc/36/96/89/853369689.db2.gz KAHGKIVHDMBXSR-CHWSQXEVSA-N 2 0 355.401 0.457 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001199370171 853413609 /nfs/dbraw/zinc/41/36/09/853413609.db2.gz NUTTVBYMQTWULQ-KZNAEPCWSA-N 2 0 353.507 0.983 20 0 FCADRP CCO[C@@H]1C[C@H]2CN(C(=S)NCCCN3CCOCC3)CC[N@@H+]2C1 ZINC001199943050 853464828 /nfs/dbraw/zinc/46/48/28/853464828.db2.gz VZTOGJSWJDGUJT-JKSUJKDBSA-N 2 0 356.536 0.378 20 0 FCADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200556485 853502428 /nfs/dbraw/zinc/50/24/28/853502428.db2.gz ZZJMQUVAJKTIEZ-HRCADAONSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001200637076 853506082 /nfs/dbraw/zinc/50/60/82/853506082.db2.gz QGFIWOPRRSYILM-DGCLKSJQSA-N 2 0 364.412 0.586 20 0 FCADRP [NH3+][C@@H]1C[C@@H](O)CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001204957559 853593924 /nfs/dbraw/zinc/59/39/24/853593924.db2.gz SXIQQUJAFLLCTQ-HUUCEWRRSA-N 2 0 369.307 0.753 20 0 FCADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001205339877 853604985 /nfs/dbraw/zinc/60/49/85/853604985.db2.gz OCDICVZFXZVZFF-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP [NH3+][C@@H]1CCN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001205953298 853647025 /nfs/dbraw/zinc/64/70/25/853647025.db2.gz SFHJBZQWOCRFGD-GDBMZVCRSA-N 2 0 369.307 0.753 20 0 FCADRP CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)OC(C)(C)O1 ZINC001206506638 853695152 /nfs/dbraw/zinc/69/51/52/853695152.db2.gz IYJHUHGKMYDYFE-XGUBFFRZSA-N 2 0 358.479 0.880 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207396624 853808752 /nfs/dbraw/zinc/80/87/52/853808752.db2.gz OESPUGFRJXADOH-QZTJIDSGSA-N 3 0 352.523 0.439 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001207395860 853809141 /nfs/dbraw/zinc/80/91/41/853809141.db2.gz ZBLWTQNEBCLUNX-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]21)N1CCOCC1 ZINC001207437730 853813598 /nfs/dbraw/zinc/81/35/98/853813598.db2.gz XWNBZPXCSMDOSZ-KURKYZTESA-N 2 0 351.491 0.572 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H]3CCCOC3)CC2)C1 ZINC001207464256 853817442 /nfs/dbraw/zinc/81/74/42/853817442.db2.gz IMWNSTTUXUJIET-KRWDZBQOSA-N 2 0 353.507 0.916 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001207541005 853822616 /nfs/dbraw/zinc/82/26/16/853822616.db2.gz PFEMBHHVLLUGDK-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036471 853884697 /nfs/dbraw/zinc/88/46/97/853884697.db2.gz MCNWQJCBUPMJRT-QCZOYZIOSA-N 2 0 351.491 0.713 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001208073255 853891300 /nfs/dbraw/zinc/89/13/00/853891300.db2.gz GIIPEBFNPVOIBW-BHYGNILZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444480 853934140 /nfs/dbraw/zinc/93/41/40/853934140.db2.gz CROGETOEEISCDP-HUUCEWRRSA-N 2 0 355.527 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485914 853940842 /nfs/dbraw/zinc/94/08/42/853940842.db2.gz WDVVEDFNYWLPIC-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496101 853942841 /nfs/dbraw/zinc/94/28/41/853942841.db2.gz JQTXDGNMGKGXBM-BFYDXBDKSA-N 2 0 353.463 0.545 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530458 853946643 /nfs/dbraw/zinc/94/66/43/853946643.db2.gz WIIZFSSBRPYHIS-DJIMGWMZSA-N 2 0 356.511 0.162 20 0 FCADRP CCOC(=O)CC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001209035365 853990954 /nfs/dbraw/zinc/99/09/54/853990954.db2.gz FHPYHVSKADTYFB-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327856 854020105 /nfs/dbraw/zinc/02/01/05/854020105.db2.gz RQHGPAGQAATWSK-BFYDXBDKSA-N 2 0 351.495 0.656 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298656 854097385 /nfs/dbraw/zinc/09/73/85/854097385.db2.gz QOPMKDMQQDLUPG-BZUAXINKSA-N 2 0 356.511 0.256 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426516 854108257 /nfs/dbraw/zinc/10/82/57/854108257.db2.gz HDTHTHGHFURVHB-BRWVUGGUSA-N 2 0 359.511 0.179 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001211046207 854150645 /nfs/dbraw/zinc/15/06/45/854150645.db2.gz JWPQUPAGWHPICH-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430560 854475232 /nfs/dbraw/zinc/47/52/32/854475232.db2.gz RLIWUEMWNKINDT-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213678184 854712407 /nfs/dbraw/zinc/71/24/07/854712407.db2.gz IMHHKZBFEMDAKI-IAGOWNOFSA-N 2 0 351.495 0.657 20 0 FCADRP CO[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728882 854739175 /nfs/dbraw/zinc/73/91/75/854739175.db2.gz XSSKCENELRWREE-YNEHKIRRSA-N 2 0 365.396 0.211 20 0 FCADRP CO[C@@H]1CN(Cc2cncc(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728916 854739733 /nfs/dbraw/zinc/73/97/33/854739733.db2.gz ZTHOUVHJBRPNGA-IAGOWNOFSA-N 2 0 350.463 0.284 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001213764807 854757518 /nfs/dbraw/zinc/75/75/18/854757518.db2.gz DSYOREOFLOTDTO-IAGOWNOFSA-N 2 0 351.495 0.510 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664349 854989042 /nfs/dbraw/zinc/98/90/42/854989042.db2.gz XTJOOKAUSDTCHS-KLHDSHLOSA-N 2 0 359.536 0.588 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001214757285 855003494 /nfs/dbraw/zinc/00/34/94/855003494.db2.gz HGZXJMPRNVMCHZ-BZUAXINKSA-N 2 0 358.502 0.970 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001214845548 855021746 /nfs/dbraw/zinc/02/17/46/855021746.db2.gz YRRYGIVIIZJGKP-BFYDXBDKSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214863853 855025698 /nfs/dbraw/zinc/02/56/98/855025698.db2.gz ZEXDRKNKWUJELX-SQWLQELKSA-N 2 0 359.536 0.588 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905078 855030964 /nfs/dbraw/zinc/03/09/64/855030964.db2.gz XHXNRYIOVFYYTK-INMHGKMJSA-N 2 0 356.511 0.162 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058188 855060309 /nfs/dbraw/zinc/06/03/09/855060309.db2.gz DPKHHVMIZFXJAC-HZPDHXFCSA-N 2 0 371.547 0.876 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458731 855117037 /nfs/dbraw/zinc/11/70/37/855117037.db2.gz HRZMPJIGQMIWOR-BXUZGUMPSA-N 2 0 350.467 0.353 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001215453432 855117311 /nfs/dbraw/zinc/11/73/11/855117311.db2.gz AVRCGUQLOPJSKX-JKIFEVAISA-N 2 0 350.507 0.679 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001215461275 855118318 /nfs/dbraw/zinc/11/83/18/855118318.db2.gz ZBIJXOAKJYAIBB-DGCLKSJQSA-N 2 0 353.492 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215536116 855126229 /nfs/dbraw/zinc/12/62/29/855126229.db2.gz JAPVEDTXZZPANY-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C)C1CC1 ZINC001215540322 855126696 /nfs/dbraw/zinc/12/66/96/855126696.db2.gz LUQBSVVVZNQWNP-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215778685 855144909 /nfs/dbraw/zinc/14/49/09/855144909.db2.gz XKQWDJDYMSPHTF-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215994095 855162818 /nfs/dbraw/zinc/16/28/18/855162818.db2.gz PRMQPBSIKPRVQD-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001215999222 855163929 /nfs/dbraw/zinc/16/39/29/855163929.db2.gz VVECCNRFGJXPJB-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383513 855196392 /nfs/dbraw/zinc/19/63/92/855196392.db2.gz NHLZTHYKIVEHMZ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401680 855199082 /nfs/dbraw/zinc/19/90/82/855199082.db2.gz OYGJQLSDAJTYRS-BZUAXINKSA-N 2 0 356.511 0.162 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216413281 855200271 /nfs/dbraw/zinc/20/02/71/855200271.db2.gz HEHSIWJAKLDJAP-TZMCWYRMSA-N 2 0 354.476 0.242 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216469835 855206357 /nfs/dbraw/zinc/20/63/57/855206357.db2.gz YPNHBLZFSGKMAM-HZPDHXFCSA-N 2 0 355.527 0.862 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001216506302 855209702 /nfs/dbraw/zinc/20/97/02/855209702.db2.gz GAPVVJNNWMEICP-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001216511338 855209865 /nfs/dbraw/zinc/20/98/65/855209865.db2.gz OAQZDLFCCJLPNA-HZPDHXFCSA-N 2 0 361.552 0.980 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@@H]1C ZINC001217988411 855389091 /nfs/dbraw/zinc/38/90/91/855389091.db2.gz OIMSTTGKSALWFB-QWRGUYRKSA-N 2 0 352.435 0.528 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218471278 855428299 /nfs/dbraw/zinc/42/82/99/855428299.db2.gz FYGNLXKFWWQFCJ-HBNTYKKESA-N 2 0 350.419 0.138 20 0 FCADRP Nc1ccc(I)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218505975 855431034 /nfs/dbraw/zinc/43/10/34/855431034.db2.gz PPEVSJLXXPJRSU-QMMMGPOBSA-N 2 0 363.203 0.663 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001218550884 855438303 /nfs/dbraw/zinc/43/83/03/855438303.db2.gz RUWYTIAXPKIXIW-YESZJQIVSA-N 2 0 351.491 0.666 20 0 FCADRP Nc1cn(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218622734 855451998 /nfs/dbraw/zinc/45/19/98/855451998.db2.gz UPALAOGOMKMXPF-BBRMVZONSA-N 2 0 351.426 0.034 20 0 FCADRP CC(=O)N1CCC(n2nccc2NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001218734863 855472551 /nfs/dbraw/zinc/47/25/51/855472551.db2.gz JXACTSWVLSGKCZ-AWEZNQCLSA-N 2 0 350.467 0.851 20 0 FCADRP CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])c2C1 ZINC001218754116 855474906 /nfs/dbraw/zinc/47/49/06/855474906.db2.gz MNPDBZXARCQKCZ-ZDUSSCGKSA-N 2 0 365.503 0.987 20 0 FCADRP COC(=O)c1cc(OC)ccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218822076 855483054 /nfs/dbraw/zinc/48/30/54/855483054.db2.gz MFABSSDSOXKXCV-CQSZACIVSA-N 2 0 350.419 0.171 20 0 FCADRP NC(=O)c1cc(Br)ccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218843645 855484954 /nfs/dbraw/zinc/48/49/54/855484954.db2.gz KFTPGKNPAOXKLY-VIFPVBQESA-N 2 0 361.265 0.506 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001218971297 855505406 /nfs/dbraw/zinc/50/54/06/855505406.db2.gz XDODNJRNRMVQDZ-IXDOHACOSA-N 2 0 355.479 0.045 20 0 FCADRP CCc1cc(S(C)(=O)=O)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219175018 855573133 /nfs/dbraw/zinc/57/31/33/855573133.db2.gz UILVCSMIFSEBFQ-CXAGYDPISA-N 2 0 351.472 0.790 20 0 FCADRP COC(=O)NC(=S)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1N ZINC001219550362 855709881 /nfs/dbraw/zinc/70/98/81/855709881.db2.gz XVLYJAOLMOLPAM-SNVBAGLBSA-N 2 0 363.443 0.052 20 0 FCADRP [NH3+][C@H](C(=O)NC1CCN(c2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001219565955 855716367 /nfs/dbraw/zinc/71/63/67/855716367.db2.gz QPQICCDWKMLLGU-HNNXBMFYSA-N 2 0 352.870 0.542 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(Br)cc1 ZINC001219618141 855735829 /nfs/dbraw/zinc/73/58/29/855735829.db2.gz WEXDPSIUPKNQJR-OUCADQQQSA-N 2 0 360.227 0.628 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741459 855795079 /nfs/dbraw/zinc/79/50/79/855795079.db2.gz LKYHPUYEAFMCJZ-FRQCXROJSA-N 2 0 351.491 0.953 20 0 FCADRP [NH3+][C@@H](C(=O)NCC[C@H]1CCOC12C[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001219800011 855819294 /nfs/dbraw/zinc/81/92/94/855819294.db2.gz GJALUMKMDVLLOR-LSDHHAIUSA-N 2 0 353.463 0.132 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219800812 855819609 /nfs/dbraw/zinc/81/96/09/855819609.db2.gz NTDKTWQTWRCWDV-CVEARBPZSA-N 3 0 350.507 0.335 20 0 FCADRP [NH3+][C@H](C(=O)NCC[C@H]1CCOC12C[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001219800009 855819943 /nfs/dbraw/zinc/81/99/43/855819943.db2.gz GJALUMKMDVLLOR-GJZGRUSLSA-N 2 0 353.463 0.132 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001219803350 855820242 /nfs/dbraw/zinc/82/02/42/855820242.db2.gz RDTMBPNAGWLQQK-GFCCVEGCSA-N 2 0 351.476 0.051 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809532 855827197 /nfs/dbraw/zinc/82/71/97/855827197.db2.gz OFRBUXVEOHTSIH-NSHDSACASA-N 2 0 352.435 0.776 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219813757 855827888 /nfs/dbraw/zinc/82/78/88/855827888.db2.gz CIXMLOJLYYHCFY-MSOLQXFVSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219834161 855837466 /nfs/dbraw/zinc/83/74/66/855837466.db2.gz OOTHCGLZKGEJIJ-CXTNEJHOSA-N 2 0 365.396 0.428 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)Cc1cccs1 ZINC001219835185 855838258 /nfs/dbraw/zinc/83/82/58/855838258.db2.gz YRWQZYYPQYKTRR-KEYYUXOJSA-N 2 0 353.488 0.519 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219850672 855845504 /nfs/dbraw/zinc/84/55/04/855845504.db2.gz ZLPODQNWWSINBX-MXSMSXNCSA-N 3 0 350.507 0.191 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccsc2)C1 ZINC001219854289 855847405 /nfs/dbraw/zinc/84/74/05/855847405.db2.gz HCHVKSXLZYSBCC-ZVDSWSACSA-N 2 0 350.488 0.315 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219922741 855879536 /nfs/dbraw/zinc/87/95/36/855879536.db2.gz DTNDMEMYHGJSJX-OIISXLGYSA-N 2 0 353.507 0.837 20 0 FCADRP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034355 855928681 /nfs/dbraw/zinc/92/86/81/855928681.db2.gz RXTMNLACVNMOGS-ASLPWWTFSA-N 2 0 351.491 0.447 20 0 FCADRP C[NH2+]CCNC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC001220056129 855935501 /nfs/dbraw/zinc/93/55/01/855935501.db2.gz NZECNAIXNFHGCC-CQSZACIVSA-N 2 0 355.280 0.731 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161969 855988078 /nfs/dbraw/zinc/98/80/78/855988078.db2.gz HBLPXKHUJRIUOF-JZXOWHBKSA-N 3 0 350.507 0.478 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001220158834 855988591 /nfs/dbraw/zinc/98/85/91/855988591.db2.gz IPWZRNXWEZDLQA-JKSUJKDBSA-N 2 0 364.515 0.574 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccc(OC2COC2)c(OC)c1 ZINC001220191150 856001718 /nfs/dbraw/zinc/00/17/18/856001718.db2.gz ALKLGLHLRKHLOA-HNNXBMFYSA-N 2 0 351.447 0.806 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220251953 856029806 /nfs/dbraw/zinc/02/98/06/856029806.db2.gz KLNCSIYXMVUZQY-JYJNAYRXSA-N 3 0 353.511 0.034 20 0 FCADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261183 856033583 /nfs/dbraw/zinc/03/35/83/856033583.db2.gz UCUQKLFLOPEITH-UHFFFAOYSA-N 2 0 374.551 0.368 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369894 856089503 /nfs/dbraw/zinc/08/95/03/856089503.db2.gz WSBQBFDWGZWNFC-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387775 856100849 /nfs/dbraw/zinc/10/08/49/856100849.db2.gz QFRUTFNJUWACBE-BBWFWOEESA-N 2 0 357.495 0.074 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](COCc1ccccc1)C(=O)OC ZINC001220456503 856135356 /nfs/dbraw/zinc/13/53/56/856135356.db2.gz RFLGULROXXQSMK-HOTGVXAUSA-N 2 0 351.447 0.578 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)O1 ZINC001220481699 856147847 /nfs/dbraw/zinc/14/78/47/856147847.db2.gz NSDCMLAETPCZCX-YCGPCKTQSA-N 2 0 353.385 0.758 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccc(Cl)cc12 ZINC001220519182 856163508 /nfs/dbraw/zinc/16/35/08/856163508.db2.gz FLQYCZAAMUDQLQ-HNNXBMFYSA-N 2 0 368.865 0.799 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC001220519258 856163521 /nfs/dbraw/zinc/16/35/21/856163521.db2.gz ICYQXPUDEBPBJR-ZDUSSCGKSA-N 2 0 360.252 0.557 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001220519296 856163599 /nfs/dbraw/zinc/16/35/99/856163599.db2.gz JKHPJHQATNHWRV-CVEARBPZSA-N 2 0 370.519 0.320 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001220519257 856163945 /nfs/dbraw/zinc/16/39/45/856163945.db2.gz ICYQXPUDEBPBJR-CYBMUJFWSA-N 2 0 360.252 0.557 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535502 856170984 /nfs/dbraw/zinc/17/09/84/856170984.db2.gz DGFSFNDMUOAGBR-HNNXBMFYSA-N 3 0 370.519 0.658 20 0 FCADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220565668 856186988 /nfs/dbraw/zinc/18/69/88/856186988.db2.gz OUBKVYHFOJVNIB-HOTGVXAUSA-N 2 0 350.463 0.731 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001220583480 856193536 /nfs/dbraw/zinc/19/35/36/856193536.db2.gz MOHDVABFOWOYAT-CYBMUJFWSA-N 2 0 361.364 0.926 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccc(Br)cc1 ZINC001220608650 856204141 /nfs/dbraw/zinc/20/41/41/856204141.db2.gz XMAVYIMSPDSGEE-DOERSZECSA-N 2 0 353.264 0.515 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607898 856204330 /nfs/dbraw/zinc/20/43/30/856204330.db2.gz PLVZWIIVCTZGKK-NWDGAFQWSA-N 2 0 372.267 0.341 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)c1ccc(Br)cc1 ZINC001220607338 856204528 /nfs/dbraw/zinc/20/45/28/856204528.db2.gz KCTDOQFFAIPFPI-RFQIPJPRSA-N 2 0 354.248 0.942 20 0 FCADRP C[C@]1(C(=O)N[C@@H](C[NH3+])c2ccc(Br)cc2)CC[NH2+]C[C@@H]1O ZINC001220608869 856204536 /nfs/dbraw/zinc/20/45/36/856204536.db2.gz ZHMPEUUIVXOENP-YDHLFZDLSA-N 2 0 356.264 0.926 20 0 FCADRP CCOC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cccc(O)c1 ZINC001220668434 856233000 /nfs/dbraw/zinc/23/30/00/856233000.db2.gz QWKVZNJLLKIBGZ-KBPBESRZSA-N 2 0 355.460 0.522 20 0 FCADRP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220800155 856307217 /nfs/dbraw/zinc/30/72/17/856307217.db2.gz NALYOFNDRLEDDP-KBPBESRZSA-N 2 0 373.906 0.950 20 0 FCADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)C1CCC2(CC1)OCCO2 ZINC001220803177 856308159 /nfs/dbraw/zinc/30/81/59/856308159.db2.gz CKYAHQUXAYCHRX-UPJWGTAASA-N 2 0 365.396 0.904 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825662 856325487 /nfs/dbraw/zinc/32/54/87/856325487.db2.gz ABSKJIWOYDXLFP-KURKYZTESA-N 2 0 355.523 0.821 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)C[NH2+]C1 ZINC001220828477 856327835 /nfs/dbraw/zinc/32/78/35/856327835.db2.gz NRTWTDJHBMNGEQ-NSHDSACASA-N 2 0 353.369 0.761 20 0 FCADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917072 856372865 /nfs/dbraw/zinc/37/28/65/856372865.db2.gz LUIPYZQANWSWSC-ZWKOTPCHSA-N 2 0 351.539 0.508 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C2COC2)CC1 ZINC001220931070 856380108 /nfs/dbraw/zinc/38/01/08/856380108.db2.gz XSCYERKVJWKBNF-LUKYLMHMSA-N 2 0 350.507 0.558 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220994081 856411830 /nfs/dbraw/zinc/41/18/30/856411830.db2.gz AHXQQGUIOYLKJD-KSZLIROESA-N 2 0 353.507 0.983 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001221083402 856453902 /nfs/dbraw/zinc/45/39/02/856453902.db2.gz KAHGKIVHDMBXSR-OLZOCXBDSA-N 2 0 355.401 0.457 20 0 FCADRP COc1cccc(C2(NC(=O)COCCOCC[NH3+])CC[NH2+]CC2)c1 ZINC001221094224 856459742 /nfs/dbraw/zinc/45/97/42/856459742.db2.gz MEOFDESQWBJRSE-UHFFFAOYSA-N 2 0 351.447 0.382 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001221188602 856506961 /nfs/dbraw/zinc/50/69/61/856506961.db2.gz YWDCPDXCSIQHOB-DZGCQCFKSA-N 2 0 352.435 0.013 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250543 856528886 /nfs/dbraw/zinc/52/88/86/856528886.db2.gz NZIAGUYBDJLTGN-KBXCAEBGSA-N 2 0 354.495 0.284 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCCC[NH3+] ZINC001221349281 856553327 /nfs/dbraw/zinc/55/33/27/856553327.db2.gz UBNUHFFBVGOOJY-RYUDHWBXSA-N 2 0 350.554 0.160 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406587 856558963 /nfs/dbraw/zinc/55/89/63/856558963.db2.gz HDFNBNVUVDQVMH-OAGGEKHMSA-N 2 0 371.547 0.636 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cncs4)CC3)[C@H]2C1 ZINC001279287064 862812810 /nfs/dbraw/zinc/81/28/10/862812810.db2.gz QGWZORZLKJSMLI-HOTGVXAUSA-N 2 0 363.531 0.717 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279307606 862821586 /nfs/dbraw/zinc/82/15/86/862821586.db2.gz BJYGGOYNFUEQHG-KRWDZBQOSA-N 2 0 351.451 0.116 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972698 856755172 /nfs/dbraw/zinc/75/51/72/856755172.db2.gz FPVDUICMFWQWRG-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222708291 856867302 /nfs/dbraw/zinc/86/73/02/856867302.db2.gz SUTZJFYNMUBMRW-VQHPVUNQSA-N 2 0 350.507 0.774 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222788782 856873246 /nfs/dbraw/zinc/87/32/46/856873246.db2.gz ARSUGEGIMZHCDP-ZACQAIPSSA-N 2 0 359.486 0.598 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001223429887 856914927 /nfs/dbraw/zinc/91/49/27/856914927.db2.gz DAMWSAOSGADQBI-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1)CC(C)(C)C ZINC001223521546 856922972 /nfs/dbraw/zinc/92/29/72/856922972.db2.gz BHCDKTVEQKNQOW-SJORKVTESA-N 2 0 355.523 0.896 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522622 856923572 /nfs/dbraw/zinc/92/35/72/856923572.db2.gz VFFXATCXMIFUDU-CVEARBPZSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](COCC(=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223534238 856924224 /nfs/dbraw/zinc/92/42/24/856924224.db2.gz IMDPWUCYCZMUGZ-KURKYZTESA-N 2 0 353.507 0.793 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912252 856950780 /nfs/dbraw/zinc/95/07/80/856950780.db2.gz PRDRHBIUOSGXEP-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCOCC(F)F)[C@H]2C1 ZINC001223916261 856950990 /nfs/dbraw/zinc/95/09/90/856950990.db2.gz DKCKZBORWAQSRR-CABCVRRESA-N 2 0 363.449 0.769 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912238 856951267 /nfs/dbraw/zinc/95/12/67/856951267.db2.gz PLHCBXPHGXEJTG-BBWFWOEESA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140986 856962489 /nfs/dbraw/zinc/96/24/89/856962489.db2.gz TXARISOAMBYTHV-KSZLIROESA-N 2 0 353.507 0.914 20 0 FCADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226296563 857096435 /nfs/dbraw/zinc/09/64/35/857096435.db2.gz KZVOTVVKBWZIOM-BRWVUGGUSA-N 2 0 371.547 0.780 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001226800846 857126889 /nfs/dbraw/zinc/12/68/89/857126889.db2.gz OOLAKIFDYRJFQW-OAGGEKHMSA-N 2 0 359.536 0.778 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001226819144 857127790 /nfs/dbraw/zinc/12/77/90/857127790.db2.gz VOLQRNXIKWSFLQ-MRVWCRGKSA-N 2 0 353.467 0.071 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227149886 857145593 /nfs/dbraw/zinc/14/55/93/857145593.db2.gz GZQAVFDOIOEZSK-ZIAGYGMSSA-N 2 0 362.540 0.283 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228205722 857197367 /nfs/dbraw/zinc/19/73/67/857197367.db2.gz CVCIFBFLHYVLSZ-BZUAXINKSA-N 2 0 353.463 0.979 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001228354946 857205121 /nfs/dbraw/zinc/20/51/21/857205121.db2.gz FFCVVZHFJWAGRH-ARFHVFGLSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001228366528 857206141 /nfs/dbraw/zinc/20/61/41/857206141.db2.gz ROIIAACDHXGEPO-HZPDHXFCSA-N 2 0 350.463 0.865 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228603199 857218716 /nfs/dbraw/zinc/21/87/16/857218716.db2.gz OWGBYQMTSIYDHK-LBTNJELSSA-N 2 0 356.486 0.962 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228660796 857221182 /nfs/dbraw/zinc/22/11/82/857221182.db2.gz JTHXWIOOUXVEJH-MCIONIFRSA-N 2 0 355.483 0.189 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229524713 857273268 /nfs/dbraw/zinc/27/32/68/857273268.db2.gz REVWJWOLFLKFPK-BFHYXJOUSA-N 2 0 355.483 0.189 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001229682364 857281788 /nfs/dbraw/zinc/28/17/88/857281788.db2.gz ADFPFJSZRHRBNO-USXIJHARSA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(N)=O ZINC001229717276 857284484 /nfs/dbraw/zinc/28/44/84/857284484.db2.gz PIBCFIUZEHQLCH-OAGGEKHMSA-N 2 0 356.511 0.626 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229868255 857290230 /nfs/dbraw/zinc/29/02/30/857290230.db2.gz FNUJHWIRYXWOEU-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001230137981 857305630 /nfs/dbraw/zinc/30/56/30/857305630.db2.gz AIBWYSZYEFIPKK-GVDBMIGSSA-N 2 0 350.507 0.871 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138273 857306697 /nfs/dbraw/zinc/30/66/97/857306697.db2.gz MIYHQDLXKKMSSL-ARFHVFGLSA-N 2 0 354.495 0.108 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138893 857306964 /nfs/dbraw/zinc/30/69/64/857306964.db2.gz VMRJLPJQDHCXKT-BRWVUGGUSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001230274832 857322841 /nfs/dbraw/zinc/32/28/41/857322841.db2.gz NXYYTVDLFMJYFL-GVDBMIGSSA-N 2 0 351.495 0.601 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001279474376 862903248 /nfs/dbraw/zinc/90/32/48/862903248.db2.gz NCIPTWVWSBYYJI-HKUYNNGSSA-N 2 0 352.523 0.774 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279474380 862904167 /nfs/dbraw/zinc/90/41/67/862904167.db2.gz NCIPTWVWSBYYJI-PKOBYXMFSA-N 2 0 352.523 0.774 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235273558 857421012 /nfs/dbraw/zinc/42/10/12/857421012.db2.gz LQKOKPYATWDLOS-CQDKDKBSSA-N 2 0 365.396 0.728 20 0 FCADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC(OC4CC[NH2+]CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235296049 857421176 /nfs/dbraw/zinc/42/11/76/857421176.db2.gz UEIFTVHHCCXMJI-YVSFHVDLSA-N 2 0 356.463 0.457 20 0 FCADRP [NH3+]CCN(CC[NH3+])Cc1cccn2c(I)cnc12 ZINC001235880772 857434508 /nfs/dbraw/zinc/43/45/08/857434508.db2.gz PBJPHXJGYZVPPT-UHFFFAOYSA-N 2 0 359.215 0.658 20 0 FCADRP Oc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1OC(F)(F)F ZINC001235874923 857434662 /nfs/dbraw/zinc/43/46/62/857434662.db2.gz XSYBOTZWTYWKPY-UHFFFAOYSA-N 2 0 362.396 0.875 20 0 FCADRP CC(C)(C)Oc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236310261 857438851 /nfs/dbraw/zinc/43/88/51/857438851.db2.gz VZPGOGQCDNVADJ-UHFFFAOYSA-N 2 0 351.495 0.875 20 0 FCADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)c1 ZINC001236311483 857438970 /nfs/dbraw/zinc/43/89/70/857438970.db2.gz SCWQCRXUPUMLRU-UHFFFAOYSA-N 2 0 354.426 0.228 20 0 FCADRP Cc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(C(F)(F)F)n1 ZINC001236314085 857439809 /nfs/dbraw/zinc/43/98/09/857439809.db2.gz GWGGJRRCYWPGGL-UHFFFAOYSA-N 2 0 362.400 0.420 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC[C@H]1C[NH2+]CCO1)CC1CC[NH2+]CC1 ZINC001236387086 857441035 /nfs/dbraw/zinc/44/10/35/857441035.db2.gz UJBLSPNCSFODSG-IBGZPJMESA-N 3 0 354.539 0.389 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001237865827 857458676 /nfs/dbraw/zinc/45/86/76/857458676.db2.gz YGLDDBFSXIFINT-UHFFFAOYSA-N 2 0 356.467 0.977 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001238807228 857480099 /nfs/dbraw/zinc/48/00/99/857480099.db2.gz FBSKSKCLFBQSPN-UHFFFAOYSA-N 2 0 359.536 0.796 20 0 FCADRP COc1ccc(CC2(CNS(=O)(=O)[C@H]3CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001238824430 857481575 /nfs/dbraw/zinc/48/15/75/857481575.db2.gz GSLBNGAKAAMNGN-KRWDZBQOSA-N 2 0 367.515 0.889 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1cncc(Br)c1 ZINC001238880063 857485481 /nfs/dbraw/zinc/48/54/81/857485481.db2.gz UCLSSLTXQZPEIH-UHFFFAOYSA-N 2 0 365.297 0.841 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC001239131739 857517943 /nfs/dbraw/zinc/51/79/43/857517943.db2.gz UPWVYWJJTJGBCU-UHFFFAOYSA-N 2 0 368.912 0.206 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)NCCc1ccc(F)cc1 ZINC001239298265 857526817 /nfs/dbraw/zinc/52/68/17/857526817.db2.gz ZAFFNWOQSBILNM-UHFFFAOYSA-N 2 0 353.442 0.194 20 0 FCADRP [NH3+]CCNC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239360195 857526931 /nfs/dbraw/zinc/52/69/31/857526931.db2.gz DRGVSJATPXJXGH-KRWDZBQOSA-N 3 0 361.559 0.911 20 0 FCADRP [NH3+]CCNC(=S)N1CCCn2cnc(C[NH2+]C3CCOCC3)c2C1 ZINC001239434603 857528578 /nfs/dbraw/zinc/52/85/78/857528578.db2.gz PTXPWUGVRXFALQ-UHFFFAOYSA-N 2 0 352.508 0.191 20 0 FCADRP O[C@H](CNc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1)CC1(O)CC[NH2+]CC1 ZINC001245968000 857561942 /nfs/dbraw/zinc/56/19/42/857561942.db2.gz LUWGAWWWRVBQQF-LSDHHAIUSA-N 2 0 353.438 0.844 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246019803 857564035 /nfs/dbraw/zinc/56/40/35/857564035.db2.gz AJGOUJAAMHCSLK-KSZLIROESA-N 2 0 355.429 0.650 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001246019053 857564949 /nfs/dbraw/zinc/56/49/49/857564949.db2.gz HGONNGNCXJEDFD-HKUYNNGSSA-N 2 0 352.475 0.791 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246052867 857567448 /nfs/dbraw/zinc/56/74/48/857567448.db2.gz MGABZXQALOXHHX-JKSUJKDBSA-N 2 0 359.417 0.409 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]CC3(C(=O)OC)CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246097074 857569097 /nfs/dbraw/zinc/56/90/97/857569097.db2.gz NLNMOKMFOUQUOA-ZMYVRHLSSA-N 3 0 353.463 0.191 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147217 857570105 /nfs/dbraw/zinc/57/01/05/857570105.db2.gz WHNQPRDKEKHHJQ-YRBFXIGRSA-N 2 0 355.479 0.043 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+][C@H]1CCN[C@H](C(=O)OCC)C1)C1CC[NH2+]CC1 ZINC001246226716 857571386 /nfs/dbraw/zinc/57/13/86/857571386.db2.gz JCTTZVOHWXKENE-XHSDSOJGSA-N 2 0 355.479 0.581 20 0 FCADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001246315360 857573745 /nfs/dbraw/zinc/57/37/45/857573745.db2.gz SZOSBZNXOFWKBK-OLZOCXBDSA-N 2 0 350.467 0.319 20 0 FCADRP O=S1(=O)CCC(Cc2ccccc2)([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246383071 857576033 /nfs/dbraw/zinc/57/60/33/857576033.db2.gz GFFRNFSZSNTBIT-KRWDZBQOSA-N 2 0 363.527 0.860 20 0 FCADRP CCC(CC)[C@@H]([NH2+][C@H]1CCNC(=O)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246416637 857577564 /nfs/dbraw/zinc/57/75/64/857577564.db2.gz SKAZLEAZVKGBJO-NZYBOLKRSA-N 2 0 355.479 0.157 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[C@]3(C2)C[NH2+]CCC3(F)F)C[NH2+]1)N1CCSC1 ZINC001246636959 857587522 /nfs/dbraw/zinc/58/75/22/857587522.db2.gz HONNBSVUHJANJR-KCQAQPDRSA-N 2 0 360.474 0.571 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677419 857589493 /nfs/dbraw/zinc/58/94/93/857589493.db2.gz DNMUVJREVXZBKO-XSWJXKHESA-N 2 0 353.463 0.145 20 0 FCADRP O=C([C@@H]1C[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246677656 857589514 /nfs/dbraw/zinc/58/95/14/857589514.db2.gz KTYQMESBNWROBN-QAETUUGQSA-N 2 0 352.548 0.961 20 0 FCADRP O=C([C@@H]1C[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246677662 857589625 /nfs/dbraw/zinc/58/96/25/857589625.db2.gz KTYQMESBNWROBN-YVSFHVDLSA-N 2 0 352.548 0.961 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCN[C@H](C(F)(F)F)C1)C2 ZINC001246674362 857589781 /nfs/dbraw/zinc/58/97/81/857589781.db2.gz RXNGWBOCGRUEIC-RHICEVKNSA-N 2 0 361.408 1.000 20 0 FCADRP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737601 857595615 /nfs/dbraw/zinc/59/56/15/857595615.db2.gz DWJKOECDNUMXBH-PNKHAZJDSA-N 2 0 351.491 0.570 20 0 FCADRP CCN1CC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)[C@H](COC)C1=O ZINC001246738107 857595820 /nfs/dbraw/zinc/59/58/20/857595820.db2.gz FLQPMNSCEIJWGB-HZPDHXFCSA-N 2 0 350.507 0.287 20 0 FCADRP CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750340 857596850 /nfs/dbraw/zinc/59/68/50/857596850.db2.gz ULVOKBKNYGEWQD-APWZRJJASA-N 2 0 350.507 0.430 20 0 FCADRP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC001246745758 857597178 /nfs/dbraw/zinc/59/71/78/857597178.db2.gz HMDOPLWMQUYWCE-DOTOQJQBSA-N 2 0 357.520 0.834 20 0 FCADRP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)[C@@H]1CCC[NH2+]C1 ZINC001246747106 857597623 /nfs/dbraw/zinc/59/76/23/857597623.db2.gz NNSVPDIPNPFXRD-HLLBOEOZSA-N 2 0 357.520 0.834 20 0 FCADRP O=C(c1cscn1)N1C[C@H]2C[C@@H](C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765330 857599831 /nfs/dbraw/zinc/59/98/31/857599831.db2.gz JDKKVDULINIPKV-QLFBSQMISA-N 2 0 361.515 0.631 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCN(C4CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246791662 857600675 /nfs/dbraw/zinc/60/06/75/857600675.db2.gz HVXPRZMFLJWKSY-BHBVFMNGSA-N 2 0 350.507 0.428 20 0 FCADRP FC(F)(F)c1nnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)s1 ZINC001246788732 857601183 /nfs/dbraw/zinc/60/11/83/857601183.db2.gz IGJGYAUCRGIEEU-SNVBAGLBSA-N 2 0 362.425 0.773 20 0 FCADRP CCOC(=O)c1csc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246817606 857602211 /nfs/dbraw/zinc/60/22/11/857602211.db2.gz SEHCCTCFDCWCDT-ZDUSSCGKSA-N 2 0 365.503 0.536 20 0 FCADRP [NH3+]C1CC[NH+](C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC1 ZINC001246963144 857607682 /nfs/dbraw/zinc/60/76/82/857607682.db2.gz GFPAOQIODAGRRQ-SJORKVTESA-N 3 0 367.563 0.137 20 0 FCADRP CC(C)OC[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252675874 857831238 /nfs/dbraw/zinc/83/12/38/857831238.db2.gz JMJHXDCCWFSOLU-QGZVFWFLSA-N 2 0 351.491 0.596 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 ZINC001253206326 857872925 /nfs/dbraw/zinc/87/29/25/857872925.db2.gz LNCQISDSDKJWFA-HIFRSBDPSA-N 2 0 373.519 0.566 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001253210000 857873248 /nfs/dbraw/zinc/87/32/48/857873248.db2.gz KONJHIIXHZCQGG-MRXNPFEDSA-N 2 0 370.519 0.527 20 0 FCADRP CCOC(=O)CN1CCC([NH+]2CCN(CC[NH+](CC)CC)CC2)CC1 ZINC001254402222 857969084 /nfs/dbraw/zinc/96/90/84/857969084.db2.gz QJKMXVUZYFOZIG-UHFFFAOYSA-N 2 0 354.539 0.973 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685766 857980495 /nfs/dbraw/zinc/98/04/95/857980495.db2.gz IXHAIVCPIJNZAG-RYUDHWBXSA-N 2 0 359.492 0.819 20 0 FCADRP O=S1(=O)CCN(c2cc[nH+]c(CN[C@H]3CC4CC[NH+](CC4)C3)c2)CC1 ZINC001254847807 857988207 /nfs/dbraw/zinc/98/82/07/857988207.db2.gz JASIBFIXQSFVNA-KRWDZBQOSA-N 2 0 364.515 0.890 20 0 FCADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254856481 857988532 /nfs/dbraw/zinc/98/85/32/857988532.db2.gz HISUXMYCSFEZSB-OAHLLOKOSA-N 2 0 367.519 0.275 20 0 FCADRP COC[C@H](C)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001255562349 858020390 /nfs/dbraw/zinc/02/03/90/858020390.db2.gz VYDNAVYXQSLZHE-KBCNZALWSA-N 2 0 361.527 0.790 20 0 FCADRP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279625640 862984921 /nfs/dbraw/zinc/98/49/21/862984921.db2.gz GUWSSDYFARYJRQ-KRWDZBQOSA-N 2 0 374.551 0.301 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001257110582 858119598 /nfs/dbraw/zinc/11/95/98/858119598.db2.gz NEUCRPOAPIGBPQ-CKEIUWERSA-N 2 0 356.536 0.529 20 0 FCADRP CCC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001257309063 858137872 /nfs/dbraw/zinc/13/78/72/858137872.db2.gz NPFIMJRDDRNBKV-KRWDZBQOSA-N 2 0 350.500 0.806 20 0 FCADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257923672 858165559 /nfs/dbraw/zinc/16/55/59/858165559.db2.gz QKNMOJYIRGQVNJ-HNNXBMFYSA-N 2 0 365.540 0.345 20 0 FCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046562 858765838 /nfs/dbraw/zinc/76/58/38/858765838.db2.gz SSSVERNJICTCAE-MSOLQXFVSA-N 2 0 352.523 0.679 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591076 859013041 /nfs/dbraw/zinc/01/30/41/859013041.db2.gz FJDSPJJKMYEPTK-HOTGVXAUSA-N 2 0 354.495 0.291 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001263762567 859206386 /nfs/dbraw/zinc/20/63/86/859206386.db2.gz HSZKLUHLURZHHH-INIZCTEOSA-N 2 0 351.495 0.420 20 0 FCADRP CSC1(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764505 859207018 /nfs/dbraw/zinc/20/70/18/859207018.db2.gz LFVNSJYQBUFIGB-CABCVRRESA-N 2 0 357.568 0.747 20 0 FCADRP CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001263896245 859229055 /nfs/dbraw/zinc/22/90/55/859229055.db2.gz SVGVSWYLOQEJNA-GJZGRUSLSA-N 2 0 365.503 0.401 20 0 FCADRP C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC001270490661 859770945 /nfs/dbraw/zinc/77/09/45/859770945.db2.gz PSPIDCKZDOBGKZ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001271138748 859903548 /nfs/dbraw/zinc/90/35/48/859903548.db2.gz HBOPHHMNIFMGCB-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652521 859985610 /nfs/dbraw/zinc/98/56/10/859985610.db2.gz NLGFXOIYCZSHKH-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCCC1OCCO1)C2 ZINC001275292666 861017735 /nfs/dbraw/zinc/01/77/35/861017735.db2.gz FBLYTXFERYXYFE-GOSISDBHSA-N 2 0 355.479 0.252 20 0 FCADRP COC(C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3cncn3C)C2)C1)OC ZINC001275492870 861110374 /nfs/dbraw/zinc/11/03/74/861110374.db2.gz AMBPLSDAVXCVLT-QGZVFWFLSA-N 2 0 352.435 0.090 20 0 FCADRP CCOCCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556414 861127656 /nfs/dbraw/zinc/12/76/56/861127656.db2.gz KJFUVMMWQOUENH-IBGZPJMESA-N 2 0 353.507 0.916 20 0 FCADRP CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2)C(N)=O ZINC001275556999 861128672 /nfs/dbraw/zinc/12/86/72/861128672.db2.gz RRCBJOAEVWSKPC-HOTGVXAUSA-N 2 0 350.507 0.810 20 0 FCADRP CCS(=O)(=O)CCNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275736136 861178843 /nfs/dbraw/zinc/17/88/43/861178843.db2.gz BUMCSNOZKNLIMH-INIZCTEOSA-N 2 0 371.547 0.639 20 0 FCADRP Cc1nc(CN2C(=O)COCC23C[NH+](CC2CC[NH2+]CC2)C3)cs1 ZINC001275737179 861180249 /nfs/dbraw/zinc/18/02/49/861180249.db2.gz IWHRJRVJNPXPCU-UHFFFAOYSA-N 2 0 350.488 0.864 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736709 861180540 /nfs/dbraw/zinc/18/05/40/861180540.db2.gz GKRFASQQIRJBMU-MAUKXSAKSA-N 2 0 353.463 0.241 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275742989 861186300 /nfs/dbraw/zinc/18/63/00/861186300.db2.gz KCWWBLHXLOPJET-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](C[C@H]2CCOC2)C3)CC1 ZINC001279893622 863120453 /nfs/dbraw/zinc/12/04/53/863120453.db2.gz LYNXNLUJJWJRNK-NVXWUHKLSA-N 2 0 351.491 0.572 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23C[NH+](C[C@H]2CCC(=O)N2)C3)CC1 ZINC001279900310 863125418 /nfs/dbraw/zinc/12/54/18/863125418.db2.gz PVLRPDPXWXTSFD-CABCVRRESA-N 2 0 366.531 0.283 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23C[NH+](C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001279900312 863125642 /nfs/dbraw/zinc/12/56/42/863125642.db2.gz PVLRPDPXWXTSFD-GJZGRUSLSA-N 2 0 366.531 0.283 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001280125926 863276653 /nfs/dbraw/zinc/27/66/53/863276653.db2.gz PPTSPWHHKNANAV-ALXJQNPVSA-N 2 0 350.507 0.491 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)CC1 ZINC001280126642 863277599 /nfs/dbraw/zinc/27/75/99/863277599.db2.gz XMZGJHSEERCCIJ-KRWDZBQOSA-N 2 0 351.491 0.429 20 0 FCADRP COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001280126561 863277893 /nfs/dbraw/zinc/27/78/93/863277893.db2.gz WIIAAWBNRRBWAR-KRWDZBQOSA-N 2 0 353.507 0.772 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280137570 863288172 /nfs/dbraw/zinc/28/81/72/863288172.db2.gz KVUKBTGBFINDHL-QFBILLFUSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C(C(=O)N4CCCCO4)=NO[C@@H]3C2)CC1 ZINC001280143379 863292879 /nfs/dbraw/zinc/29/28/79/863292879.db2.gz MKXKQHWRTOZCDL-JKSUJKDBSA-N 2 0 350.463 0.959 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280218983 863344102 /nfs/dbraw/zinc/34/41/02/863344102.db2.gz LZOMUGHEXOHZQZ-KURKYZTESA-N 2 0 350.507 0.334 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCS(C)(=O)=O)C1 ZINC001280257197 863364171 /nfs/dbraw/zinc/36/41/71/863364171.db2.gz HLJMUMMWPNRSBN-BQJWPVKWSA-N 2 0 371.547 0.493 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001280258246 863365434 /nfs/dbraw/zinc/36/54/34/863365434.db2.gz LKJPLMACDTXXCW-JKSUJKDBSA-N 2 0 350.507 0.635 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH2+]C23CC(C(=O)N4CC(N5CC(F)C5)C4)(C2)C3)C1 ZINC001280259605 863366540 /nfs/dbraw/zinc/36/65/40/863366540.db2.gz XIXAWIVHNBQOII-YCMKEVRSSA-N 2 0 350.482 0.705 20 0 FCADRP C[C@@H](O)CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001281577974 863527777 /nfs/dbraw/zinc/52/77/77/863527777.db2.gz QAIZEUTVGQMWKA-JFIYKMOQSA-N 2 0 352.523 0.316 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001281977777 864016525 /nfs/dbraw/zinc/01/65/25/864016525.db2.gz OWDCBLXHJBSTPT-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001296435885 865968378 /nfs/dbraw/zinc/96/83/78/865968378.db2.gz NLKJZEYMZNXAHC-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)CCSCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001349829974 866454864 /nfs/dbraw/zinc/45/48/64/866454864.db2.gz YRYZJCWGDXDPDR-UHFFFAOYSA-N 2 0 352.508 0.900 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001349991411 866486444 /nfs/dbraw/zinc/48/64/44/866486444.db2.gz FTHAQYVSRATEGO-BZUAXINKSA-N 2 0 354.495 0.093 20 0 FCADRP COC(=O)[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+](C)C1 ZINC001307847831 866679002 /nfs/dbraw/zinc/67/90/02/866679002.db2.gz NJNCLNLTSQWEIV-HNNXBMFYSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001308820553 866721374 /nfs/dbraw/zinc/72/13/74/866721374.db2.gz MSNQJRXIQVQNGU-IAGOWNOFSA-N 2 0 373.563 0.728 20 0 FCADRP COC(=O)C1CC2(C1)C[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCS2(=O)=O ZINC001308971612 866726599 /nfs/dbraw/zinc/72/65/99/866726599.db2.gz IHVUQVUZLHTIPI-CKDBGZEDSA-N 2 0 358.504 0.817 20 0 FCADRP CCN(C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001316614961 867365698 /nfs/dbraw/zinc/36/56/98/867365698.db2.gz KHVULRHUQXQIOT-PNBKFKSVSA-N 2 0 350.507 0.822 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[NH+](C)C)c1 ZINC001353238114 867379506 /nfs/dbraw/zinc/37/95/06/867379506.db2.gz IDXCLRLDBOXDKH-HNNXBMFYSA-N 2 0 350.463 0.658 20 0 FCADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001316703018 867410234 /nfs/dbraw/zinc/41/02/34/867410234.db2.gz BSVDATAGJMVLJU-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]CC1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001353508305 867438827 /nfs/dbraw/zinc/43/88/27/867438827.db2.gz ZFRVUSBFOWNZOY-QGZVFWFLSA-N 2 0 353.511 0.163 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001353572748 867451225 /nfs/dbraw/zinc/45/12/25/867451225.db2.gz ZIKNMJOIEAMODV-UHFFFAOYSA-N 2 0 352.479 0.891 20 0 FCADRP CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473332 868009150 /nfs/dbraw/zinc/00/91/50/868009150.db2.gz RCOIDSDKSVPLSR-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608432 868031506 /nfs/dbraw/zinc/03/15/06/868031506.db2.gz NZOQZKQGEQYAEI-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001357403442 868109528 /nfs/dbraw/zinc/10/95/28/868109528.db2.gz CGWWKSUSCQZTEV-INIZCTEOSA-N 2 0 352.523 0.820 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558892 868131962 /nfs/dbraw/zinc/13/19/62/868131962.db2.gz ARXHNPWIPVBEIK-HOTGVXAUSA-N 2 0 354.495 0.291 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001325386491 869871446 /nfs/dbraw/zinc/87/14/46/869871446.db2.gz RGCFCRZINOAQFU-HIFRSBDPSA-N 2 0 354.495 0.548 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001325617572 869958042 /nfs/dbraw/zinc/95/80/42/869958042.db2.gz IXLUZRFRKIXNFJ-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001325655630 869974396 /nfs/dbraw/zinc/97/43/96/869974396.db2.gz HJHLXKACQGPZBL-HSFUPAIVSA-N 2 0 355.523 0.846 20 0 FCADRP CS(=O)(=O)CCCCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001325785179 870033132 /nfs/dbraw/zinc/03/31/32/870033132.db2.gz CXVCILXOPKCGRH-UHFFFAOYSA-N 2 0 361.552 0.588 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC001325862887 870066504 /nfs/dbraw/zinc/06/65/04/870066504.db2.gz KSAXLTYJDVNFEX-CVEARBPZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)CC[NH2+]CC2 ZINC001326139885 870180327 /nfs/dbraw/zinc/18/03/27/870180327.db2.gz CSKQHIOTBHMDFD-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[NH2+]CC1 ZINC001326338727 870263489 /nfs/dbraw/zinc/26/34/89/870263489.db2.gz AIOIVMQWSVSBKF-LBPRGKRZSA-N 2 0 352.460 0.003 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001343453620 870436831 /nfs/dbraw/zinc/43/68/31/870436831.db2.gz QMVRHXLOAQSDDL-ZFWWWQNUSA-N 2 0 352.454 0.855 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001327053360 870638535 /nfs/dbraw/zinc/63/85/35/870638535.db2.gz CHIHBCQULLUWRI-HNNXBMFYSA-N 2 0 354.495 0.239 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001344727524 870997351 /nfs/dbraw/zinc/99/73/51/870997351.db2.gz HOUPEMMUXXZCGA-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001345096099 871188161 /nfs/dbraw/zinc/18/81/61/871188161.db2.gz VRQZPDXPEJQQNP-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP Cc1nocc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001328167266 871260786 /nfs/dbraw/zinc/26/07/86/871260786.db2.gz QJEQOARPYZIPCN-GDBMZVCRSA-N 2 0 350.463 0.766 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)CC1 ZINC001346056152 871623451 /nfs/dbraw/zinc/62/34/51/871623451.db2.gz JRMCABWYUJWQOB-UHFFFAOYSA-N 2 0 351.520 0.744 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001329143366 871845996 /nfs/dbraw/zinc/84/59/96/871845996.db2.gz USEGYQMXWDJIGJ-YOEHRIQHSA-N 2 0 355.504 0.349 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329252044 871911877 /nfs/dbraw/zinc/91/18/77/871911877.db2.gz DOTHKWRXFNPURI-XSLAGTTESA-N 2 0 374.598 0.045 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC001329491939 872066280 /nfs/dbraw/zinc/06/62/80/872066280.db2.gz YPKBTKKLVAKAMN-CVEARBPZSA-N 2 0 357.520 0.391 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)CC[C@@H]21 ZINC001330619681 872736960 /nfs/dbraw/zinc/73/69/60/872736960.db2.gz RWNNINSFGPWVTA-WOPDTQHZSA-N 2 0 354.405 0.916 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453748 873110831 /nfs/dbraw/zinc/11/08/31/873110831.db2.gz PLPPGTQPIFSWMQ-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001331473746 873116638 /nfs/dbraw/zinc/11/66/38/873116638.db2.gz GQZDLIILQKHNRX-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331906812 873298901 /nfs/dbraw/zinc/29/89/01/873298901.db2.gz XNSPICAMOQUKER-IAGOWNOFSA-N 2 0 353.511 0.163 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331906300 873299185 /nfs/dbraw/zinc/29/91/85/873299185.db2.gz SUEWPGLPUYAALS-BRWVUGGUSA-N 2 0 353.511 0.352 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333256956 873878792 /nfs/dbraw/zinc/87/87/92/873878792.db2.gz BUVVPUNTNMEFCF-LMMKCTJWSA-N 2 0 352.523 0.807 20 0 FCADRP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC001333337565 873913579 /nfs/dbraw/zinc/91/35/79/873913579.db2.gz JVSHYXJCDQIVHC-LLVKDONJSA-N 2 0 354.405 0.966 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@@H]1C(F)(F)F ZINC001333352801 873920057 /nfs/dbraw/zinc/92/00/57/873920057.db2.gz NZEBSXRWUCJNAM-JQWIXIFHSA-N 2 0 360.384 0.802 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918153 948836457 /nfs/dbraw/zinc/83/64/57/948836457.db2.gz GKNVAHGEHWXPPS-CQSZACIVSA-N 2 0 372.477 0.724 20 0 FCADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926921 949030023 /nfs/dbraw/zinc/03/00/23/949030023.db2.gz ZTFINHYFRATTTQ-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707655 949469779 /nfs/dbraw/zinc/46/97/79/949469779.db2.gz PRLZGVPRNIBQAA-DGCLKSJQSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707654 949471274 /nfs/dbraw/zinc/47/12/74/949471274.db2.gz PRLZGVPRNIBQAA-AAEUAGOBSA-N 2 0 363.491 0.959 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709213 949500671 /nfs/dbraw/zinc/50/06/71/949500671.db2.gz YNDDEZGKWPKJQF-CZUORRHYSA-N 2 0 372.477 0.815 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708886 949503707 /nfs/dbraw/zinc/50/37/07/949503707.db2.gz XZGDTQORXZLCSS-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575270116 949574749 /nfs/dbraw/zinc/57/47/49/949574749.db2.gz BFISYIMJEQRLDP-ZDUSSCGKSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964069 949767147 /nfs/dbraw/zinc/76/71/47/949767147.db2.gz PINXMJQXXUFUBF-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574720667 949801076 /nfs/dbraw/zinc/80/10/76/949801076.db2.gz FXJDZDDPZKYLHZ-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574158028 950268809 /nfs/dbraw/zinc/26/88/09/950268809.db2.gz NBZDSFXAUWZJRG-KGLIPLIRSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576193610 950306211 /nfs/dbraw/zinc/30/62/11/950306211.db2.gz UTZZBORUVXXCGS-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197180 950384109 /nfs/dbraw/zinc/38/41/09/950384109.db2.gz LGUCMJFFUCTGJZ-ZIAGYGMSSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570973976 950401719 /nfs/dbraw/zinc/40/17/19/950401719.db2.gz IVHMFOKLPKMTAM-JKSUJKDBSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974255 950404249 /nfs/dbraw/zinc/40/42/49/950404249.db2.gz LOOPZZOJRRXYOO-HOTGVXAUSA-N 2 0 355.446 0.509 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576202531 950429790 /nfs/dbraw/zinc/42/97/90/950429790.db2.gz ANAIIUXOPHLTIG-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206222 950565590 /nfs/dbraw/zinc/56/55/90/950565590.db2.gz VQFPBAMGYNIMTL-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208673 950613341 /nfs/dbraw/zinc/61/33/41/950613341.db2.gz RZBMWIZJKIRRSS-NWDGAFQWSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208996 950620927 /nfs/dbraw/zinc/62/09/27/950620927.db2.gz XZCPWPLIVOZSLU-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575921369 950637012 /nfs/dbraw/zinc/63/70/12/950637012.db2.gz NOSLXLYWWZATSA-JSGCOSHPSA-N 2 0 368.445 0.181 20 0 FCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575923296 950658446 /nfs/dbraw/zinc/65/84/46/950658446.db2.gz QMRUSHFFCKFZHN-DOMZBBRYSA-N 2 0 370.461 0.427 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnccc2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001570993383 950941170 /nfs/dbraw/zinc/94/11/70/950941170.db2.gz GVBXLVWIKQOLOQ-CHWSQXEVSA-N 2 0 358.450 0.073 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004644 951150988 /nfs/dbraw/zinc/15/09/88/951150988.db2.gz OXRDIZYOSYRSMV-YPMHNXCESA-N 2 0 361.475 0.713 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575092552 951794355 /nfs/dbraw/zinc/79/43/55/951794355.db2.gz DUGXEDJVSSTCST-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575092553 951794428 /nfs/dbraw/zinc/79/44/28/951794428.db2.gz DUGXEDJVSSTCST-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571064633 951976943 /nfs/dbraw/zinc/97/69/43/951976943.db2.gz VXJOGPVLDHMWSS-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077694 952120884 /nfs/dbraw/zinc/12/08/84/952120884.db2.gz FNIVWPMAASULIZ-LRDDRELGSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077583 952121259 /nfs/dbraw/zinc/12/12/59/952121259.db2.gz DJOLBMQCZOAYRJ-CQSZACIVSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077550 952121453 /nfs/dbraw/zinc/12/14/53/952121453.db2.gz CVVDMAJAKMIJKA-XJKSGUPXSA-N 2 0 370.461 0.347 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571103632 952356984 /nfs/dbraw/zinc/35/69/84/952356984.db2.gz MZQGGBAJAAKQMA-XJKSGUPXSA-N 2 0 372.477 0.593 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571110493 952434238 /nfs/dbraw/zinc/43/42/38/952434238.db2.gz RQXARSCPYZKWDQ-GFCCVEGCSA-N 2 0 373.486 0.715 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000413670664 529608790 /nfs/dbraw/zinc/60/87/90/529608790.db2.gz YOFUBWZYWQGJOW-RBSFLKMASA-N 2 0 358.552 0.727 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961733 529797473 /nfs/dbraw/zinc/79/74/73/529797473.db2.gz IUSAIBMWFLCGDA-LMSBXDPUSA-N 2 0 360.502 0.624 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000410779295 529799632 /nfs/dbraw/zinc/79/96/32/529799632.db2.gz IQKHBVASEDLQJO-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410557887 529886226 /nfs/dbraw/zinc/88/62/26/529886226.db2.gz OZVHWURLDQMRPL-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000410781701 529965115 /nfs/dbraw/zinc/96/51/15/529965115.db2.gz CLAJEKWBESJTMT-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331502406 215005937 /nfs/dbraw/zinc/00/59/37/215005937.db2.gz QZZVBPDJKZDSDB-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000331692030 215034910 /nfs/dbraw/zinc/03/49/10/215034910.db2.gz VFHSQYPCGOKYPF-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691994 215035619 /nfs/dbraw/zinc/03/56/19/215035619.db2.gz VDWBQRSAUHCODY-IIDMSEBBSA-N 2 0 368.547 0.483 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000331728349 215040133 /nfs/dbraw/zinc/04/01/33/215040133.db2.gz ZHRPEBCTMJGRCO-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)CC1 ZINC000331770103 215044309 /nfs/dbraw/zinc/04/43/09/215044309.db2.gz DVORCPJOUZRGFC-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000331836198 215053297 /nfs/dbraw/zinc/05/32/97/215053297.db2.gz STSYEIAJFLVTEV-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331839188 215054357 /nfs/dbraw/zinc/05/43/57/215054357.db2.gz UBGGYZUOMPKEDD-ULQDDVLXSA-N 2 0 366.506 0.286 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331860150 215058127 /nfs/dbraw/zinc/05/81/27/215058127.db2.gz BFQOXSXYKXLTLX-VGWMRTNUSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000331877608 215060980 /nfs/dbraw/zinc/06/09/80/215060980.db2.gz ONRYBWDTTZEPOV-CGZBRXJRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000332028194 215082047 /nfs/dbraw/zinc/08/20/47/215082047.db2.gz XYPQNPFIEACXLU-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000331999917 215076870 /nfs/dbraw/zinc/07/68/70/215076870.db2.gz BOJKFZRQICKRHR-SOUVJXGZSA-N 2 0 352.479 0.084 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCCC1 ZINC000332007560 215078808 /nfs/dbraw/zinc/07/88/08/215078808.db2.gz XBEGISNPQLYQAX-ARFHVFGLSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000332098477 215093203 /nfs/dbraw/zinc/09/32/03/215093203.db2.gz XYEMBVVXKDKGQE-ZMSDIMECSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332130893 215099245 /nfs/dbraw/zinc/09/92/45/215099245.db2.gz DTZYUGZRIYDBDV-GVDBMIGSSA-N 2 0 350.507 0.763 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000332297802 215125097 /nfs/dbraw/zinc/12/50/97/215125097.db2.gz FMMCZTOCFAEQAP-NWANDNLSSA-N 2 0 350.507 0.998 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[C@H]1[NH3+] ZINC000332521211 215166324 /nfs/dbraw/zinc/16/63/24/215166324.db2.gz ACEVWASPSRQGQC-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000332538721 215174182 /nfs/dbraw/zinc/17/41/82/215174182.db2.gz JWEHTOAKPGXMLR-DOTOQJQBSA-N 2 0 366.506 0.001 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000332700083 215204064 /nfs/dbraw/zinc/20/40/64/215204064.db2.gz WTYIDINWBGYXID-RDJZCZTQSA-N 2 0 350.507 0.764 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332702448 215205844 /nfs/dbraw/zinc/20/58/44/215205844.db2.gz YGGAKKKVUYQJDD-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CN(CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000333108968 215236753 /nfs/dbraw/zinc/23/67/53/215236753.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 0 362.478 0.723 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000333258289 215255662 /nfs/dbraw/zinc/25/56/62/215255662.db2.gz LRQGMGBJSUAKBV-RHSMWYFYSA-N 2 0 358.552 0.910 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644880 215305032 /nfs/dbraw/zinc/30/50/32/215305032.db2.gz XXOVHPKISNXSOQ-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643547 215305420 /nfs/dbraw/zinc/30/54/20/215305420.db2.gz IRFZFDATXSGJMT-SJORKVTESA-N 2 0 353.511 0.175 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000333694448 215309661 /nfs/dbraw/zinc/30/96/61/215309661.db2.gz QAYPXUBIOJAYDW-ZWKOTPCHSA-N 2 0 372.517 0.987 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773212 213394065 /nfs/dbraw/zinc/39/40/65/213394065.db2.gz FDLBMYYIZQEUJL-NVXWUHKLSA-N 2 0 359.474 0.783 20 0 FCADRP C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000334128384 215347475 /nfs/dbraw/zinc/34/74/75/215347475.db2.gz RHZYCDJRHKATRP-DLBZAZTESA-N 2 0 367.538 0.375 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000360572504 215365679 /nfs/dbraw/zinc/36/56/79/215365679.db2.gz LWXHLKGFXNYGIH-CABCVRRESA-N 2 0 367.494 0.927 20 0 FCADRP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000360915866 215375855 /nfs/dbraw/zinc/37/58/55/215375855.db2.gz ZOYDZMQLTTVYDX-OWCLPIDISA-N 2 0 369.506 0.875 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000360915865 215376494 /nfs/dbraw/zinc/37/64/94/215376494.db2.gz ZOYDZMQLTTVYDX-OAGGEKHMSA-N 2 0 369.506 0.875 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213964 213303290 /nfs/dbraw/zinc/30/32/90/213303290.db2.gz WGJAPURSPFRMQQ-ROUUACIJSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000284963165 213257085 /nfs/dbraw/zinc/25/70/85/213257085.db2.gz JOJUGXJJRAVVGL-SFHVURJKSA-N 2 0 374.485 0.080 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[NH+]3CCC(O)CC3)n2)CC1 ZINC000931125100 674094079 /nfs/dbraw/zinc/09/40/79/674094079.db2.gz CESLUHVZZCITNN-UHFFFAOYSA-N 2 0 350.467 0.728 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000284650298 213188361 /nfs/dbraw/zinc/18/83/61/213188361.db2.gz SQAJONVPSLBZGV-INIZCTEOSA-N 2 0 350.438 0.755 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000364670982 215706465 /nfs/dbraw/zinc/70/64/65/215706465.db2.gz GNVBOWJEOIFGND-VQTJNVASSA-N 2 0 372.513 0.649 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849016 213020216 /nfs/dbraw/zinc/02/02/16/213020216.db2.gz FRSFOCJAAOSIRM-IAGOWNOFSA-N 2 0 362.474 0.242 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000283741266 213001159 /nfs/dbraw/zinc/00/11/59/213001159.db2.gz NAJNORWMWXUGAB-UHFFFAOYSA-N 2 0 364.490 0.701 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)C3(C[NH3+])CCOCC3)ccc2oc1=O ZINC000262383744 209579816 /nfs/dbraw/zinc/57/98/16/209579816.db2.gz XGJDDBSCLXJUEG-UHFFFAOYSA-N 2 0 362.430 0.850 20 0 FCADRP C[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732975 216024038 /nfs/dbraw/zinc/02/40/38/216024038.db2.gz YOVALNXZQMTAAB-MRXNPFEDSA-N 2 0 361.490 0.998 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CNC(=O)C1 ZINC000413195746 237293952 /nfs/dbraw/zinc/29/39/52/237293952.db2.gz DCCSCBRNPIWFPY-HNNXBMFYSA-N 2 0 360.462 0.029 20 0 FCADRP C[C@H]1[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000413443870 237334299 /nfs/dbraw/zinc/33/42/99/237334299.db2.gz RNPBCZFYSZVBJU-DLBZAZTESA-N 2 0 367.538 0.565 20 0 FCADRP C[N@H+](CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000367655585 216147450 /nfs/dbraw/zinc/14/74/50/216147450.db2.gz ZXIXEZVJOYOHEJ-UHFFFAOYSA-N 2 0 359.536 0.924 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000246616394 209394151 /nfs/dbraw/zinc/39/41/51/209394151.db2.gz LPBKXBMDIPOOKI-WSTZPKSXSA-N 2 0 369.550 0.891 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000246535163 209390116 /nfs/dbraw/zinc/39/01/16/209390116.db2.gz AMLCNHZNBVJYNY-SQNIBIBYSA-N 2 0 351.539 0.996 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000246450172 209387200 /nfs/dbraw/zinc/38/72/00/209387200.db2.gz OQMHGXROJLBBME-SOLBZPMBSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000246178421 209380963 /nfs/dbraw/zinc/38/09/63/209380963.db2.gz BVUGCQXDOWZMKY-YLFCFFPRSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237354640 209351146 /nfs/dbraw/zinc/35/11/46/209351146.db2.gz CBVVEBGBIUCSMW-GJZGRUSLSA-N 2 0 364.494 0.525 20 0 FCADRP C[C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237358267 209350653 /nfs/dbraw/zinc/35/06/53/209350653.db2.gz QVEINRBTHCFFGG-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237171828 209349317 /nfs/dbraw/zinc/34/93/17/209349317.db2.gz HCHHMIISKSRXDR-MRXNPFEDSA-N 2 0 364.515 0.689 20 0 FCADRP CN1CCN(C(=O)c2ccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000237200325 209349371 /nfs/dbraw/zinc/34/93/71/209349371.db2.gz CTRQKGDGDVEPLR-KRWDZBQOSA-N 2 0 360.458 0.781 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368575581 216266714 /nfs/dbraw/zinc/26/67/14/216266714.db2.gz IWUYONXUNBYQQN-KZNAEPCWSA-N 2 0 350.507 0.260 20 0 FCADRP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326624 /nfs/dbraw/zinc/32/66/24/216326624.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 2 0 362.518 0.938 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000368980457 216329132 /nfs/dbraw/zinc/32/91/32/216329132.db2.gz GSLOOAFAGMONSB-ZWKOTPCHSA-N 2 0 367.538 0.253 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038728 216337882 /nfs/dbraw/zinc/33/78/82/216337882.db2.gz OMFSYZRCXHLMSK-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369050422 216339828 /nfs/dbraw/zinc/33/98/28/216339828.db2.gz GZXBNKGZYAPORT-DLBZAZTESA-N 2 0 353.511 0.175 20 0 FCADRP CN1CCN(S(=O)(=O)N2CCN(C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000190377491 209270354 /nfs/dbraw/zinc/27/03/54/209270354.db2.gz DSWFCIYXMPRWSX-QGZVFWFLSA-N 2 0 374.551 0.037 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395168 216394178 /nfs/dbraw/zinc/39/41/78/216394178.db2.gz LDASNEOEOPXSOX-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000189936795 209262769 /nfs/dbraw/zinc/26/27/69/209262769.db2.gz UUNAGDBHWVXOQZ-MRXNPFEDSA-N 2 0 354.539 0.752 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNc1ccccc1C(N)=O ZINC000277821507 212399929 /nfs/dbraw/zinc/39/99/29/212399929.db2.gz WZGXMLCFQQEAPZ-UHFFFAOYSA-N 2 0 363.506 0.929 20 0 FCADRP O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277757780 212395196 /nfs/dbraw/zinc/39/51/96/212395196.db2.gz JTPXBOOFCUYICB-DLBZAZTESA-N 2 0 373.457 0.381 20 0 FCADRP CCS(=O)(=O)NCCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188286612 209227526 /nfs/dbraw/zinc/22/75/26/209227526.db2.gz FWSGSJPPSHPNPU-GOSISDBHSA-N 2 0 369.531 0.885 20 0 FCADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCN(CCO)CC1 ZINC000186282620 209188592 /nfs/dbraw/zinc/18/85/92/209188592.db2.gz IFWAVBREYJGZLC-UHFFFAOYSA-N 2 0 374.485 0.748 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000414679661 245312304 /nfs/dbraw/zinc/31/23/04/245312304.db2.gz LYVNALWOHHOUGT-GJZGRUSLSA-N 2 0 374.485 0.886 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000414750604 245319522 /nfs/dbraw/zinc/31/95/22/245319522.db2.gz YHZBTDVKEPJLFN-INIZCTEOSA-N 2 0 362.449 0.667 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000414828990 245324276 /nfs/dbraw/zinc/32/42/76/245324276.db2.gz LVFAYAJAUXSRDI-MRXNPFEDSA-N 2 0 374.485 0.915 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414852374 245326916 /nfs/dbraw/zinc/32/69/16/245326916.db2.gz JYBVJSBAKVSMQY-GOSISDBHSA-N 2 0 374.485 0.480 20 0 FCADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000415183831 245356766 /nfs/dbraw/zinc/35/67/66/245356766.db2.gz JJWWQOHTTRXRIU-OAHLLOKOSA-N 2 0 362.474 0.650 20 0 FCADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000415279503 245376810 /nfs/dbraw/zinc/37/68/10/245376810.db2.gz DBGGPLZRGGFJGH-UHFFFAOYSA-N 2 0 360.458 0.922 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415336485 245389336 /nfs/dbraw/zinc/38/93/36/245389336.db2.gz WAHWJHWWDLMERT-MRXNPFEDSA-N 2 0 362.499 0.695 20 0 FCADRP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1)N1CCOCC1 ZINC000415344494 245391876 /nfs/dbraw/zinc/39/18/76/245391876.db2.gz NQEOJOSLXJWNKJ-GJZGRUSLSA-N 2 0 360.458 0.839 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000374251892 217114245 /nfs/dbraw/zinc/11/42/45/217114245.db2.gz ZZCXGMAXZIQMKR-DLBZAZTESA-N 2 0 367.538 0.253 20 0 FCADRP COC(=O)c1cn([C@@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000374299320 217116180 /nfs/dbraw/zinc/11/61/80/217116180.db2.gz AKMUTPOEDFSJGV-MRXNPFEDSA-N 2 0 364.494 0.728 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783217 217171828 /nfs/dbraw/zinc/17/18/28/217171828.db2.gz WGTHVKYRGKENEY-SFHVURJKSA-N 2 0 351.539 0.251 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415673972 245460672 /nfs/dbraw/zinc/46/06/72/245460672.db2.gz NSYZQHZWJMIVHB-CALCHBBNSA-N 2 0 356.470 0.941 20 0 FCADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415669297 245458279 /nfs/dbraw/zinc/45/82/79/245458279.db2.gz FVGZPKJWLYLUSX-CALCHBBNSA-N 2 0 356.470 0.941 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccn1 ZINC000183225466 209142926 /nfs/dbraw/zinc/14/29/26/209142926.db2.gz DGLNMKNLEUYZSM-INIZCTEOSA-N 2 0 362.474 0.816 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000375217451 217233989 /nfs/dbraw/zinc/23/39/89/217233989.db2.gz GIBYJBNAVPPNAK-MRXNPFEDSA-N 2 0 353.511 0.129 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000375936027 217336296 /nfs/dbraw/zinc/33/62/96/217336296.db2.gz UTZSNBWHZPVXEJ-GOSISDBHSA-N 2 0 354.470 0.529 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273683 245771228 /nfs/dbraw/zinc/77/12/28/245771228.db2.gz BXBJVVVYXKUZSS-KGLIPLIRSA-N 2 0 365.444 0.854 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418617885 245806088 /nfs/dbraw/zinc/80/60/88/245806088.db2.gz NREANXDEJKQJFY-AWEZNQCLSA-N 2 0 365.444 0.995 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418622132 245808133 /nfs/dbraw/zinc/80/81/33/245808133.db2.gz UZLNKEMKZOZVFK-XQQFMLRXSA-N 2 0 351.417 0.639 20 0 FCADRP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+](C)C1CC1 ZINC000376331795 217386045 /nfs/dbraw/zinc/38/60/45/217386045.db2.gz CENBBPHICZDXGK-YTTRVJOFSA-N 2 0 365.522 0.852 20 0 FCADRP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000376434747 217399346 /nfs/dbraw/zinc/39/93/46/217399346.db2.gz JGUCBDZDYNCVLJ-IAGOWNOFSA-N 2 0 367.538 0.517 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419078652 245972312 /nfs/dbraw/zinc/97/23/12/245972312.db2.gz SWFWPZLICBFXMQ-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000419130370 246005550 /nfs/dbraw/zinc/00/55/50/246005550.db2.gz FNLUPVKXRGJIAG-UHFFFAOYSA-N 2 0 362.474 0.359 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419157276 246022282 /nfs/dbraw/zinc/02/22/82/246022282.db2.gz UUEIMMXIYRPODW-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000419135490 246009374 /nfs/dbraw/zinc/00/93/74/246009374.db2.gz MXEZVZPCEQKABZ-FPCVCCKLSA-N 2 0 352.523 0.973 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419139923 246010581 /nfs/dbraw/zinc/01/05/81/246010581.db2.gz VCWHNIOPIJXKAF-CQSZACIVSA-N 2 0 350.488 0.636 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000419146242 246014428 /nfs/dbraw/zinc/01/44/28/246014428.db2.gz ICIVWGVXWPOFHZ-IIAWOOMASA-N 2 0 364.515 0.882 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)cc1 ZINC000419160620 246026860 /nfs/dbraw/zinc/02/68/60/246026860.db2.gz QAMFZFGUZZHOIF-KRWDZBQOSA-N 2 0 362.474 0.028 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164494 246027575 /nfs/dbraw/zinc/02/75/75/246027575.db2.gz MCGLYMJKPFJINJ-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419163859 246028858 /nfs/dbraw/zinc/02/88/58/246028858.db2.gz KWJRZIOVKJCPBD-KRWDZBQOSA-N 2 0 362.474 0.072 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171374 246033788 /nfs/dbraw/zinc/03/37/88/246033788.db2.gz XNYPSIVZNBFEDF-ROUUACIJSA-N 2 0 374.485 0.247 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419181962 246040100 /nfs/dbraw/zinc/04/01/00/246040100.db2.gz BYHVPVWNMGTPGO-MJGOQNOKSA-N 2 0 370.497 0.630 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000419196169 246046674 /nfs/dbraw/zinc/04/66/74/246046674.db2.gz WRHMWCUIUFOPGE-GASCZTMLSA-N 2 0 359.474 0.371 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419188656 246043773 /nfs/dbraw/zinc/04/37/73/246043773.db2.gz KJPKBILFWOVLGZ-UHFFFAOYSA-N 2 0 350.438 0.632 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419211517 246057674 /nfs/dbraw/zinc/05/76/74/246057674.db2.gz SMYBXPWJKJHOLL-KURKYZTESA-N 2 0 356.470 0.588 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419214963 246059733 /nfs/dbraw/zinc/05/97/33/246059733.db2.gz NITLZYYVFLOZNH-IAGOWNOFSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419219579 246062834 /nfs/dbraw/zinc/06/28/34/246062834.db2.gz UDHGZWNPTSTANJ-RBSFLKMASA-N 2 0 362.474 0.375 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419220115 246063004 /nfs/dbraw/zinc/06/30/04/246063004.db2.gz UNKWCCYGLJVYAO-INIZCTEOSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224544 246065178 /nfs/dbraw/zinc/06/51/78/246065178.db2.gz FUUCNQFCYOZXJY-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@H]1C[NH3+] ZINC000419224074 246065369 /nfs/dbraw/zinc/06/53/69/246065369.db2.gz FCMSWKJFXIIDPA-PVAVHDDUSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419230421 246066697 /nfs/dbraw/zinc/06/66/97/246066697.db2.gz PWMVUUBGOGHFEN-JLSDUUJJSA-N 2 0 358.486 0.867 20 0 FCADRP CCN(CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)CCC(F)(F)F ZINC000419206687 246052298 /nfs/dbraw/zinc/05/22/98/246052298.db2.gz LCXLWFZUGNQQKT-GFCCVEGCSA-N 2 0 366.428 0.963 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231192 246068089 /nfs/dbraw/zinc/06/80/89/246068089.db2.gz RKBBFDHGVRXPQX-CWRNSKLLSA-N 2 0 366.506 0.596 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419233994 246071149 /nfs/dbraw/zinc/07/11/49/246071149.db2.gz XCUPAUJDQRHRNF-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419242356 246073076 /nfs/dbraw/zinc/07/30/76/246073076.db2.gz HSELRXGOICDHTK-HZPDHXFCSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419253394 246076883 /nfs/dbraw/zinc/07/68/83/246076883.db2.gz UHBXSOMYGFTLMS-ATLSCFEFSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419249744 246077109 /nfs/dbraw/zinc/07/71/09/246077109.db2.gz PLVGCAMRQQHQEA-BZUAXINKSA-N 2 0 360.502 0.970 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC1 ZINC000419245100 246077213 /nfs/dbraw/zinc/07/72/13/246077213.db2.gz VGAZDPLUWQVWIG-GOEBONIOSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317687 246097279 /nfs/dbraw/zinc/09/72/79/246097279.db2.gz MZYNYDQBUPMOAC-QXRTWZOPSA-N 2 0 356.470 0.681 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317690 246097492 /nfs/dbraw/zinc/09/74/92/246097492.db2.gz MZYNYDQBUPMOAC-UNQWWWNPSA-N 2 0 356.470 0.681 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340329 246103598 /nfs/dbraw/zinc/10/35/98/246103598.db2.gz WMIZQHQLWDZTDH-BIMQEMHKSA-N 2 0 374.460 0.678 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000419346363 246109827 /nfs/dbraw/zinc/10/98/27/246109827.db2.gz VCNJJAHEQQCNNE-UHFFFAOYSA-N 2 0 359.474 0.373 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419367167 246119423 /nfs/dbraw/zinc/11/94/23/246119423.db2.gz CUYOQIXNOVJFHS-HOTGVXAUSA-N 2 0 354.495 0.045 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419370463 246119968 /nfs/dbraw/zinc/11/99/68/246119968.db2.gz JPIIJHDKUBSJKE-CEXWTWQISA-N 2 0 372.513 0.734 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419369757 246120227 /nfs/dbraw/zinc/12/02/27/246120227.db2.gz GAHYHLRDIPEQGI-LSDHHAIUSA-N 2 0 358.486 0.398 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000419371436 246121843 /nfs/dbraw/zinc/12/18/43/246121843.db2.gz KSWHSRMNNDFRRV-OKZBNKHCSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000419371434 246121869 /nfs/dbraw/zinc/12/18/69/246121869.db2.gz KSWHSRMNNDFRRV-FGTMMUONSA-N 2 0 364.534 0.927 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)Cc2ccccc2C1 ZINC000419375101 246121993 /nfs/dbraw/zinc/12/19/93/246121993.db2.gz QBONCPGRTPBSCI-QZTJIDSGSA-N 2 0 370.497 0.270 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375102 246122885 /nfs/dbraw/zinc/12/28/85/246122885.db2.gz QBONCPGRTPBSCI-ROUUACIJSA-N 2 0 370.497 0.270 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@H]1C[NH3+] ZINC000419391738 246129917 /nfs/dbraw/zinc/12/99/17/246129917.db2.gz KFYLSPNXNMYRBB-YJBOKZPZSA-N 2 0 358.486 0.747 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419351583 246114689 /nfs/dbraw/zinc/11/46/89/246114689.db2.gz HQPHBZWNMUOGPO-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419414561 246147913 /nfs/dbraw/zinc/14/79/13/246147913.db2.gz SZUAWGFGZPLBKN-CZUORRHYSA-N 2 0 350.438 0.613 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419415643 246149124 /nfs/dbraw/zinc/14/91/24/246149124.db2.gz VNRNTZJWTXLRLG-DAXOMENPSA-N 2 0 350.438 0.788 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399684 246135724 /nfs/dbraw/zinc/13/57/24/246135724.db2.gz KDJJWDOCCJWQFG-CGTJXYLNSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419405896 246140050 /nfs/dbraw/zinc/14/00/50/246140050.db2.gz ICCNZIVAOFBVAM-XJKCOSOUSA-N 2 0 350.438 0.740 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419407951 246140585 /nfs/dbraw/zinc/14/05/85/246140585.db2.gz LALSANCJYGWWLP-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407732 246142243 /nfs/dbraw/zinc/14/22/43/246142243.db2.gz YUUGYHZXZCLJQE-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409505 246142395 /nfs/dbraw/zinc/14/23/95/246142395.db2.gz FDAUSJPMFZWNLA-OKZBNKHCSA-N 2 0 374.485 0.260 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000419407563 246142710 /nfs/dbraw/zinc/14/27/10/246142710.db2.gz KRODYVLNKFOAQS-KRWDZBQOSA-N 2 0 358.486 0.937 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419410901 246145184 /nfs/dbraw/zinc/14/51/84/246145184.db2.gz AUIUKQFZEXSFOO-INIZCTEOSA-N 2 0 361.490 0.026 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419420693 246155167 /nfs/dbraw/zinc/15/51/67/246155167.db2.gz KFUOQYQVRUDNFK-CRAIPNDOSA-N 2 0 358.486 0.795 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419421534 246155296 /nfs/dbraw/zinc/15/52/96/246155296.db2.gz LMJWVCVGUHLFSY-HZPDHXFCSA-N 2 0 358.486 0.747 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000419428134 246157943 /nfs/dbraw/zinc/15/79/43/246157943.db2.gz SRKONXIKSZVIGI-IRXDYDNUSA-N 2 0 360.458 0.126 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419418952 246151230 /nfs/dbraw/zinc/15/12/30/246151230.db2.gz YUQRPVLIPHVPPM-YJBOKZPZSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419419077 246152003 /nfs/dbraw/zinc/15/20/03/246152003.db2.gz LRNQYKZNZVFXIX-INIZCTEOSA-N 2 0 361.490 0.168 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]1 ZINC000419419033 246152518 /nfs/dbraw/zinc/15/25/18/246152518.db2.gz YSHPSUORGHJZLC-KCXAZCMYSA-N 2 0 350.438 0.801 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419527789 246193377 /nfs/dbraw/zinc/19/33/77/246193377.db2.gz GMLVDFGQSFXVFX-BVIKNXMNSA-N 2 0 358.486 0.832 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419475487 246176632 /nfs/dbraw/zinc/17/66/32/246176632.db2.gz DVFJTKCHJRRSRK-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419475544 246176905 /nfs/dbraw/zinc/17/69/05/246176905.db2.gz FAPAYYIOSXCPCD-IKGGRYGDSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419481871 246179358 /nfs/dbraw/zinc/17/93/58/246179358.db2.gz PVLJIEBFGXJGKN-XDNAFOTISA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419488029 246180233 /nfs/dbraw/zinc/18/02/33/246180233.db2.gz ZQZSGJQNLVJEBK-LUKYLMHMSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419565291 246203941 /nfs/dbraw/zinc/20/39/41/246203941.db2.gz YQEZWIORJUQHLD-UOJCXKCYSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419565287 246204107 /nfs/dbraw/zinc/20/41/07/246204107.db2.gz YQEZWIORJUQHLD-JWZBEHFJSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419565284 246204404 /nfs/dbraw/zinc/20/44/04/246204404.db2.gz YQEZWIORJUQHLD-GUDXXQAFSA-N 2 0 362.449 0.678 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000419591550 246211129 /nfs/dbraw/zinc/21/11/29/246211129.db2.gz VPRHVVRFGHZTCA-KRWDZBQOSA-N 2 0 356.536 0.388 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419586455 246211459 /nfs/dbraw/zinc/21/14/59/246211459.db2.gz MYRIHQMYWUNWEO-YLQAJVPDSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419587084 246211524 /nfs/dbraw/zinc/21/15/24/246211524.db2.gz NFGBTWIKXKAEIS-AFAVFJNCSA-N 2 0 362.449 0.678 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000419591553 246212579 /nfs/dbraw/zinc/21/25/79/246212579.db2.gz VPRHVVRFGHZTCA-QGZVFWFLSA-N 2 0 356.536 0.388 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419537714 246195248 /nfs/dbraw/zinc/19/52/48/246195248.db2.gz WECGFHCJWXNHDA-BPQIPLTHSA-N 2 0 374.485 0.199 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419539906 246198462 /nfs/dbraw/zinc/19/84/62/246198462.db2.gz QCDDRKPIPLMFFK-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624760 246222118 /nfs/dbraw/zinc/22/21/18/246222118.db2.gz AKJQNELCPVQNJR-XJKSGUPXSA-N 2 0 362.474 0.594 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665151 246236563 /nfs/dbraw/zinc/23/65/63/246236563.db2.gz SXPWAVCIYHKDOC-BQFCYCMXSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665158 246238060 /nfs/dbraw/zinc/23/80/60/246238060.db2.gz SXPWAVCIYHKDOC-XYJFISCASA-N 2 0 358.486 0.976 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419668622 246238775 /nfs/dbraw/zinc/23/87/75/246238775.db2.gz DGTDBIGAZCYIRN-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419678422 246243971 /nfs/dbraw/zinc/24/39/71/246243971.db2.gz DQUBGSTWMUXRQT-HOTGVXAUSA-N 2 0 366.506 0.381 20 0 FCADRP CN(CCC[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O)CC[NH+](C)C ZINC000377505635 217553941 /nfs/dbraw/zinc/55/39/41/217553941.db2.gz CPPQRKNVQMPUSR-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419695281 246253991 /nfs/dbraw/zinc/25/39/91/246253991.db2.gz KSWZHHWWEIMNET-GVDBMIGSSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419693575 246255494 /nfs/dbraw/zinc/25/54/94/246255494.db2.gz NRQFWGJGDRWIBO-CABCVRRESA-N 2 0 368.547 0.660 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000419710173 246264494 /nfs/dbraw/zinc/26/44/94/246264494.db2.gz LHGZOLMNXRXBAD-OAHLLOKOSA-N 2 0 360.502 0.993 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419754077 246284439 /nfs/dbraw/zinc/28/44/39/246284439.db2.gz AWLWBHSCWLEFHN-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C1CC1 ZINC000419763970 246288654 /nfs/dbraw/zinc/28/86/54/246288654.db2.gz OUHJDZPUTUFDIY-SJLPKXTDSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762349 246289794 /nfs/dbraw/zinc/28/97/94/246289794.db2.gz RSVSWPQGUHKYID-GOEBONIOSA-N 2 0 364.465 0.960 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419786859 246297823 /nfs/dbraw/zinc/29/78/23/246297823.db2.gz ZJDDBOYCOHPHIU-ZWKOTPCHSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000419795936 246298509 /nfs/dbraw/zinc/29/85/09/246298509.db2.gz MDWUVHYHYSJQRE-XLAORIBOSA-N 2 0 358.486 0.991 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000419804081 246301741 /nfs/dbraw/zinc/30/17/41/246301741.db2.gz FSKSHRRRECSEHP-XMTFNYHQSA-N 2 0 358.486 0.910 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813875 246302774 /nfs/dbraw/zinc/30/27/74/246302774.db2.gz JTCVGIQVWPANTH-ZIAGYGMSSA-N 2 0 354.495 0.596 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)C[NH+]1CCCC1 ZINC000419822474 246304824 /nfs/dbraw/zinc/30/48/24/246304824.db2.gz LMGVJBFOQNPSSO-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C[NH3+])C1 ZINC000419822152 246306099 /nfs/dbraw/zinc/30/60/99/246306099.db2.gz OXNFUZREYQAFDQ-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000419750593 246281474 /nfs/dbraw/zinc/28/14/74/246281474.db2.gz IZUCIQNAIHTACT-HNNXBMFYSA-N 2 0 366.506 0.394 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000419871322 246338673 /nfs/dbraw/zinc/33/86/73/246338673.db2.gz CIBKOUIYVHTEMM-CQSZACIVSA-N 2 0 350.488 0.508 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000419841264 246314099 /nfs/dbraw/zinc/31/40/99/246314099.db2.gz ZXOFMBNRJMESRB-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419846671 246318038 /nfs/dbraw/zinc/31/80/38/246318038.db2.gz QGVAXTPHQAQNMV-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850412 246319587 /nfs/dbraw/zinc/31/95/87/246319587.db2.gz LLOXYYGUVTZJGI-UHFFFAOYSA-N 2 0 360.502 0.878 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419851372 246321673 /nfs/dbraw/zinc/32/16/73/246321673.db2.gz OBTHRXKOBAKQOM-UHFFFAOYSA-N 2 0 368.428 0.723 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419854107 246324357 /nfs/dbraw/zinc/32/43/57/246324357.db2.gz GBWBOFSUEQIWQE-AQFXKWCLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000419854212 246324812 /nfs/dbraw/zinc/32/48/12/246324812.db2.gz URSSJQGLYYILQU-UHFFFAOYSA-N 2 0 362.474 0.455 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419859213 246327806 /nfs/dbraw/zinc/32/78/06/246327806.db2.gz JHDTYPSEHHBQNM-VBQJREDUSA-N 2 0 366.506 0.188 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000419873103 246341849 /nfs/dbraw/zinc/34/18/49/246341849.db2.gz UTZBABIRYYMDNO-KSZLIROESA-N 2 0 356.470 0.430 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869145 246337398 /nfs/dbraw/zinc/33/73/98/246337398.db2.gz CUUCAOQDSQXYST-CQSZACIVSA-N 2 0 354.401 0.333 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419912372 246366087 /nfs/dbraw/zinc/36/60/87/246366087.db2.gz LDKKDICOXCRUGF-YTQUADARSA-N 2 0 370.497 0.693 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419918370 246367180 /nfs/dbraw/zinc/36/71/80/246367180.db2.gz UMEDSCDPBZDNDM-AWEZNQCLSA-N 2 0 352.504 0.754 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419933558 246376223 /nfs/dbraw/zinc/37/62/23/246376223.db2.gz FGHQZJNINMGVIO-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419876406 246344757 /nfs/dbraw/zinc/34/47/57/246344757.db2.gz PPSDZGFLDNSAKN-DLBZAZTESA-N 2 0 367.538 0.118 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000419878283 246345254 /nfs/dbraw/zinc/34/52/54/246345254.db2.gz YTXORBYJCYWYTG-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000419883243 246347763 /nfs/dbraw/zinc/34/77/63/246347763.db2.gz IXUCQSQONDIMRM-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419881664 246347950 /nfs/dbraw/zinc/34/79/50/246347950.db2.gz IATZVVRSGQUFOV-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000419883630 246351036 /nfs/dbraw/zinc/35/10/36/246351036.db2.gz WJNPOGGALIIACB-JKSUJKDBSA-N 2 0 366.506 0.476 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419893123 246354777 /nfs/dbraw/zinc/35/47/77/246354777.db2.gz LSZDKLWIEZORGP-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896928 246358710 /nfs/dbraw/zinc/35/87/10/246358710.db2.gz YIBDJOGMGYHAOW-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419906887 246362153 /nfs/dbraw/zinc/36/21/53/246362153.db2.gz DJJHZQNQPTYWGJ-HDICACEKSA-N 2 0 358.486 0.693 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419958303 246387612 /nfs/dbraw/zinc/38/76/12/246387612.db2.gz QDZPXPPYMPSXJL-ILXRZTDVSA-N 2 0 354.495 0.045 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967323 246394264 /nfs/dbraw/zinc/39/42/64/246394264.db2.gz NSJVQIIFFNYWCU-NVXWUHKLSA-N 2 0 350.507 0.955 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419972306 246395886 /nfs/dbraw/zinc/39/58/86/246395886.db2.gz HPCLUXCSRORCJD-INIZCTEOSA-N 2 0 370.444 0.955 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420010632 246414226 /nfs/dbraw/zinc/41/42/26/246414226.db2.gz FRHSUKJVHPNTFW-GVDBMIGSSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000420217965 246532756 /nfs/dbraw/zinc/53/27/56/246532756.db2.gz XWSKUQJBQYFXDM-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420221656 246534806 /nfs/dbraw/zinc/53/48/06/246534806.db2.gz ZNTVTKBTGNUJHK-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@@H](O)C[NH3+] ZINC000420357677 246551937 /nfs/dbraw/zinc/55/19/37/246551937.db2.gz SHBXGTYNXMBJAP-INIZCTEOSA-N 2 0 352.504 0.425 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000420454510 246564088 /nfs/dbraw/zinc/56/40/88/246564088.db2.gz LLPFJHOVURUUMQ-UHFFFAOYSA-N 2 0 354.476 0.502 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(OC)c1 ZINC000420464725 246564869 /nfs/dbraw/zinc/56/48/69/246564869.db2.gz XVYNBQPARKJJSI-UHFFFAOYSA-N 2 0 359.448 0.170 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN(CC)S(C)(=O)=O)CC[NH2+]CC1 ZINC000422713885 246916008 /nfs/dbraw/zinc/91/60/08/246916008.db2.gz KLNAKYYDYBIZEU-AWEZNQCLSA-N 2 0 363.524 0.569 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000423170435 246971792 /nfs/dbraw/zinc/97/17/92/246971792.db2.gz LWODEUJRAQPREF-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423182643 246974366 /nfs/dbraw/zinc/97/43/66/246974366.db2.gz QUCIIIGVPGXZJK-HNNXBMFYSA-N 2 0 354.520 0.883 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000423362444 247011948 /nfs/dbraw/zinc/01/19/48/247011948.db2.gz HTEVFACHOGQNNH-HUUCEWRRSA-N 2 0 350.463 0.756 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423364149 247014189 /nfs/dbraw/zinc/01/41/89/247014189.db2.gz ATYVIUTYZOTETJ-FUHWJXTLSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423376617 247015931 /nfs/dbraw/zinc/01/59/31/247015931.db2.gz YGXYKWIUKOLBMT-GOSISDBHSA-N 2 0 362.522 0.811 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000423392364 247017973 /nfs/dbraw/zinc/01/79/73/247017973.db2.gz QGIUFXSWQIFFHQ-JYJNAYRXSA-N 2 0 366.506 0.141 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423424435 247023633 /nfs/dbraw/zinc/02/36/33/247023633.db2.gz FPGDLJZFXUDPBA-LUKYLMHMSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423433388 247025718 /nfs/dbraw/zinc/02/57/18/247025718.db2.gz CHMWDGCQXKEDBF-APWZRJJASA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423450747 247029303 /nfs/dbraw/zinc/02/93/03/247029303.db2.gz UDYHBBVSHHPGBR-YESZJQIVSA-N 2 0 366.506 0.014 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000423448946 247030136 /nfs/dbraw/zinc/03/01/36/247030136.db2.gz QWRCDAHFQYSSPM-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[C@H]1[NH3+] ZINC000423446030 247030317 /nfs/dbraw/zinc/03/03/17/247030317.db2.gz NMAJFSXHIXCJLW-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000423505153 247040495 /nfs/dbraw/zinc/04/04/95/247040495.db2.gz NWWRHIRSPBOJLN-UHFFFAOYSA-N 2 0 370.497 0.933 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423607670 247072105 /nfs/dbraw/zinc/07/21/05/247072105.db2.gz JULWWLMVEHYZDJ-ZFWWWQNUSA-N 2 0 352.504 0.834 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423652975 247094091 /nfs/dbraw/zinc/09/40/91/247094091.db2.gz XFDJRZAEVFFGOG-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COC(=O)CCN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@@H]1C ZINC000423901629 247147774 /nfs/dbraw/zinc/14/77/74/247147774.db2.gz UAQNBYVOVQRGLE-HNNXBMFYSA-N 2 0 354.495 0.286 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423723298 247126853 /nfs/dbraw/zinc/12/68/53/247126853.db2.gz HCXUDBNAFWPOCR-HOTGVXAUSA-N 2 0 362.474 0.628 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423730390 247131327 /nfs/dbraw/zinc/13/13/27/247131327.db2.gz XWNPCGKWKPQHRQ-OAGGEKHMSA-N 2 0 368.522 0.530 20 0 FCADRP NC(=O)c1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000424021449 247160113 /nfs/dbraw/zinc/16/01/13/247160113.db2.gz QNQCQURUPGJYSF-UHFFFAOYSA-N 2 0 367.453 0.904 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424058560 247164440 /nfs/dbraw/zinc/16/44/40/247164440.db2.gz LJYURUFHWCXVBL-CQSZACIVSA-N 2 0 356.434 0.260 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccccc3OCC[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424223291 247179786 /nfs/dbraw/zinc/17/97/86/247179786.db2.gz HLIYOMSDZCZPBP-DLBZAZTESA-N 2 0 357.458 0.927 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]2[NH3+])cn1 ZINC000424227368 247181113 /nfs/dbraw/zinc/18/11/13/247181113.db2.gz QTMYBDOWCQJVDP-DLBZAZTESA-N 2 0 361.490 0.708 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424540080 247254360 /nfs/dbraw/zinc/25/43/60/247254360.db2.gz GDVQDNWXJKSWML-YTQUADARSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424540079 247255806 /nfs/dbraw/zinc/25/58/06/247255806.db2.gz GDVQDNWXJKSWML-NZSAHSFTSA-N 2 0 370.497 0.835 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1=O ZINC000425310493 247320720 /nfs/dbraw/zinc/32/07/20/247320720.db2.gz FEKZRQRSOMTKIT-KRWDZBQOSA-N 2 0 368.522 0.402 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCNC(=O)c2ccccc2F)CC1 ZINC000433156406 247846407 /nfs/dbraw/zinc/84/64/07/247846407.db2.gz IYVUHJUMIULGCL-UHFFFAOYSA-N 2 0 350.438 0.875 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436350611 248038878 /nfs/dbraw/zinc/03/88/78/248038878.db2.gz WICJNEOREMJYNY-INIZCTEOSA-N 2 0 358.527 0.831 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000439164490 248113047 /nfs/dbraw/zinc/11/30/47/248113047.db2.gz BTHAORWYFBNLIN-DOTOQJQBSA-N 2 0 368.522 0.483 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039830 248347278 /nfs/dbraw/zinc/34/72/78/248347278.db2.gz YYEUQDKDNINUGF-HUUCEWRRSA-N 2 0 351.499 0.934 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271013236 211317813 /nfs/dbraw/zinc/31/78/13/211317813.db2.gz MYVWHBSAYVEIRH-HXUWFJFHSA-N 2 0 374.529 0.867 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000471470804 250103676 /nfs/dbraw/zinc/10/36/76/250103676.db2.gz JYJZLWSSUSWUES-PMPSAXMXSA-N 2 0 369.510 0.077 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000471470798 250104302 /nfs/dbraw/zinc/10/43/02/250104302.db2.gz JYJZLWSSUSWUES-BZUAXINKSA-N 2 0 369.510 0.077 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000471557082 250107765 /nfs/dbraw/zinc/10/77/65/250107765.db2.gz VYPQZOKJKBRQNG-UHFFFAOYSA-N 2 0 368.522 0.730 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000471644393 250112157 /nfs/dbraw/zinc/11/21/57/250112157.db2.gz BBVYVBPQDLMOOW-UHFFFAOYSA-N 2 0 356.511 0.899 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471651747 250114435 /nfs/dbraw/zinc/11/44/35/250114435.db2.gz AHXMHYMUKJKXOT-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472276028 250143013 /nfs/dbraw/zinc/14/30/13/250143013.db2.gz LYZOQRLSOWBGFY-JKSUJKDBSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278680 250143525 /nfs/dbraw/zinc/14/35/25/250143525.db2.gz OEFIPUOMKQLQFP-SJLPKXTDSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[NH+](C)CC(=O)N[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000269868096 211102925 /nfs/dbraw/zinc/10/29/25/211102925.db2.gz XZFMKHBSUHJTKE-MRXNPFEDSA-N 2 0 366.510 0.374 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000474026795 250265113 /nfs/dbraw/zinc/26/51/13/250265113.db2.gz ANOISOGURGKOEJ-KRWDZBQOSA-N 2 0 369.554 0.404 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@@H](C)C1 ZINC000480818947 250285908 /nfs/dbraw/zinc/28/59/08/250285908.db2.gz GZRNLPCHLZCZLG-WMZOPIPTSA-N 2 0 354.539 0.923 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481858554 250368892 /nfs/dbraw/zinc/36/88/92/250368892.db2.gz VQWDNIDUNQYJMX-JKSUJKDBSA-N 2 0 356.511 0.260 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CC[N@H+](C)C1 ZINC000413098738 532995315 /nfs/dbraw/zinc/99/53/15/532995315.db2.gz COWYQIAYEZXJJX-OWCLPIDISA-N 2 0 354.495 0.996 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000413116853 532996106 /nfs/dbraw/zinc/99/61/06/532996106.db2.gz HZJDOAWDCPSYFO-QGZVFWFLSA-N 2 0 362.474 0.994 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000074198964 208053330 /nfs/dbraw/zinc/05/33/30/208053330.db2.gz VCHYEAQSAXFYKC-LJQANCHMSA-N 2 0 372.513 0.961 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1=O ZINC000072998356 208045562 /nfs/dbraw/zinc/04/55/62/208045562.db2.gz JBFGGQIZGGOYOX-NVXWUHKLSA-N 2 0 364.465 0.955 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000076464685 208068163 /nfs/dbraw/zinc/06/81/63/208068163.db2.gz WWBZXHMTDQRXET-SJLPKXTDSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961228 208125742 /nfs/dbraw/zinc/12/57/42/208125742.db2.gz PPRBVPQNXJZBCI-WOJBJXKFSA-N 2 0 374.529 0.766 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000085406552 208109829 /nfs/dbraw/zinc/10/98/29/208109829.db2.gz TUGMEMIPUSQAOK-PMPSAXMXSA-N 2 0 353.511 0.555 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1)C1CC1 ZINC000105322916 208195785 /nfs/dbraw/zinc/19/57/85/208195785.db2.gz MUYDZHVZYSKZOX-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000107369383 208244211 /nfs/dbraw/zinc/24/42/11/208244211.db2.gz XTKYLQASNSXHSL-MRXNPFEDSA-N 2 0 356.470 0.994 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[N@@H+]1C1CC1 ZINC000120595443 208385835 /nfs/dbraw/zinc/38/58/35/208385835.db2.gz UZWIKQNTDGLANQ-VYDXJSESSA-N 2 0 363.506 0.560 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120617034 208386582 /nfs/dbraw/zinc/38/65/82/208386582.db2.gz FPYYVABKNWDODX-HZPDHXFCSA-N 2 0 367.538 0.911 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266712977 210387424 /nfs/dbraw/zinc/38/74/24/210387424.db2.gz IMDHZVVEHLLOEN-SFHVURJKSA-N 2 0 359.518 0.631 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000266627635 210371580 /nfs/dbraw/zinc/37/15/80/210371580.db2.gz JLZMMGLKGLCBDR-QGZVFWFLSA-N 2 0 362.474 0.566 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000176603832 209007009 /nfs/dbraw/zinc/00/70/09/209007009.db2.gz HRIYTTBCXFGFLZ-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176641118 209008762 /nfs/dbraw/zinc/00/87/62/209008762.db2.gz TXPFWFIELIUENH-CQSZACIVSA-N 2 0 365.478 0.936 20 0 FCADRP C[C@](O)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320900 209047825 /nfs/dbraw/zinc/04/78/25/209047825.db2.gz XRZLEOJFRNMVDO-LPHOPBHVSA-N 2 0 353.507 0.840 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+](C)C1 ZINC000413141851 533477340 /nfs/dbraw/zinc/47/73/40/533477340.db2.gz QBJMWKSKLFTEIP-HNNXBMFYSA-N 2 0 352.479 0.607 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+](C)C1 ZINC000413503983 533477799 /nfs/dbraw/zinc/47/77/99/533477799.db2.gz SWMMLGICRMCGIG-HNNXBMFYSA-N 2 0 352.479 0.607 20 0 FCADRP C[C@H]1C(=O)NCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264405612 229330919 /nfs/dbraw/zinc/33/09/19/229330919.db2.gz NJDLSAWKSWTKLY-HNNXBMFYSA-N 2 0 360.462 0.124 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410436487 230078823 /nfs/dbraw/zinc/07/88/23/230078823.db2.gz RMVUEXJAUNANHC-KRWDZBQOSA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410436946 230079366 /nfs/dbraw/zinc/07/93/66/230079366.db2.gz RXUFOWMICSEOCL-IRXDYDNUSA-N 2 0 364.490 0.028 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410441381 230081451 /nfs/dbraw/zinc/08/14/51/230081451.db2.gz YIBHAPBCFIVETP-KRWDZBQOSA-N 2 0 368.522 0.356 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@H](Oc2ccncc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410498039 230103970 /nfs/dbraw/zinc/10/39/70/230103970.db2.gz MGIRVTUHDSTBBY-WBVHZDCISA-N 2 0 358.442 0.756 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410730459 230220822 /nfs/dbraw/zinc/22/08/22/230220822.db2.gz BTNJRHWALGRQBN-RDJZCZTQSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410732513 230223538 /nfs/dbraw/zinc/22/35/38/230223538.db2.gz LKOGJQSXEGPQFP-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410732265 230225496 /nfs/dbraw/zinc/22/54/96/230225496.db2.gz KERJKIJCKDNWPN-OAHLLOKOSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410738298 230228782 /nfs/dbraw/zinc/22/87/82/230228782.db2.gz WEVNAXFWOGJQKK-IKGGRYGDSA-N 2 0 350.507 0.872 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410996749 230342030 /nfs/dbraw/zinc/34/20/30/230342030.db2.gz MEYYBGFBSRLEGO-SFHVURJKSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000933475573 674258774 /nfs/dbraw/zinc/25/87/74/674258774.db2.gz INNZNZOJAXBDMB-HNNXBMFYSA-N 2 0 350.467 0.372 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000933841465 674276352 /nfs/dbraw/zinc/27/63/52/674276352.db2.gz HQZXZKSDGQKSAN-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000627827059 484099607 /nfs/dbraw/zinc/09/96/07/484099607.db2.gz PIJXQMSPWSJLRU-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000562794325 491189732 /nfs/dbraw/zinc/18/97/32/491189732.db2.gz LLWYSFUHRTVDFV-KDURUIRLSA-N 2 0 357.502 0.665 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000287756894 488902601 /nfs/dbraw/zinc/90/26/01/488902601.db2.gz LWDIGDNDWXUALC-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000562821339 491192902 /nfs/dbraw/zinc/19/29/02/491192902.db2.gz OCMZHGJSHCWWHF-QZTJIDSGSA-N 2 0 373.501 0.041 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609290 488353155 /nfs/dbraw/zinc/35/31/55/488353155.db2.gz JJGRFPCVLZJVNK-ROUUACIJSA-N 2 0 370.538 0.735 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073288335 488384249 /nfs/dbraw/zinc/38/42/49/488384249.db2.gz HSMUCAKCSOEYGK-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073564261 488385002 /nfs/dbraw/zinc/38/50/02/488385002.db2.gz XLYZOHVSHZQDGO-LJQANCHMSA-N 2 0 359.518 0.561 20 0 FCADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182952418 488390533 /nfs/dbraw/zinc/39/05/33/488390533.db2.gz IVHDZFWVKDKHNJ-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP CC(C)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000074676816 488393450 /nfs/dbraw/zinc/39/34/50/488393450.db2.gz RSWUNDLTWXAPRF-MRXNPFEDSA-N 2 0 352.523 0.975 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)CCCC2)CC1 ZINC000569821069 491195167 /nfs/dbraw/zinc/19/51/67/491195167.db2.gz INBATFLOIBSSEW-INIZCTEOSA-N 2 0 367.538 0.613 20 0 FCADRP C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682528 488402226 /nfs/dbraw/zinc/40/22/26/488402226.db2.gz VBSIAQJDIYCZME-CABCVRRESA-N 2 0 369.535 0.941 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185735839 488402512 /nfs/dbraw/zinc/40/25/12/488402512.db2.gz WCWNXMMXVRCNQD-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000554336683 491195848 /nfs/dbraw/zinc/19/58/48/491195848.db2.gz IJWPVQUBDCQYTB-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000569831455 491195950 /nfs/dbraw/zinc/19/59/50/491195950.db2.gz HANWNORKZZLFGL-GOSISDBHSA-N 2 0 370.563 0.777 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000076324652 488403740 /nfs/dbraw/zinc/40/37/40/488403740.db2.gz HEDUNASXIBQBBH-KRWDZBQOSA-N 2 0 365.522 0.660 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186498651 488406767 /nfs/dbraw/zinc/40/67/67/488406767.db2.gz KPOPLYLNAKAPBU-OALUTQOASA-N 2 0 361.486 0.503 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000186777898 488407650 /nfs/dbraw/zinc/40/76/50/488407650.db2.gz HPYYWJRTATUWAQ-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186666951 488407939 /nfs/dbraw/zinc/40/79/39/488407939.db2.gz YWUMWCCCVXWSNX-OAHLLOKOSA-N 2 0 364.494 0.764 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554342752 491196920 /nfs/dbraw/zinc/19/69/20/491196920.db2.gz DHRXFXLXBOXPDW-DOTOQJQBSA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000191548118 488420158 /nfs/dbraw/zinc/42/01/58/488420158.db2.gz HOSCQHUVMDRYQQ-UHFFFAOYSA-N 2 0 360.568 0.758 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@@H](C)C1 ZINC000192814349 488424880 /nfs/dbraw/zinc/42/48/80/488424880.db2.gz AYMOGGHGGZDHCB-DLBZAZTESA-N 2 0 364.490 0.311 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000079168066 488428550 /nfs/dbraw/zinc/42/85/50/488428550.db2.gz DTNHXXMAELIJBA-UHFFFAOYSA-N 2 0 360.506 0.939 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000195336064 488437201 /nfs/dbraw/zinc/43/72/01/488437201.db2.gz AYGZFAWBAPFMPL-UHFFFAOYSA-N 2 0 357.524 0.826 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CSCC[NH2+]3)cn2)CC1 ZINC000236999438 488453664 /nfs/dbraw/zinc/45/36/64/488453664.db2.gz RWOIDDATURMJHK-MRXNPFEDSA-N 2 0 363.531 0.935 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237018493 488454332 /nfs/dbraw/zinc/45/43/32/488454332.db2.gz JACOWGALOKZFIU-QAETUUGQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CN(Cc2cccc(NC(=O)CN3CCNCC3=O)c2)C[C@H](C)O1 ZINC000237639732 488456262 /nfs/dbraw/zinc/45/62/62/488456262.db2.gz MJFNAUXWTXMVBB-GJZGRUSLSA-N 2 0 360.458 0.666 20 0 FCADRP C[C@@H](O)c1cn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000268903531 488456420 /nfs/dbraw/zinc/45/64/20/488456420.db2.gz UMIBHUGHKQQUTF-OAHLLOKOSA-N 2 0 373.461 0.055 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000246262192 488471116 /nfs/dbraw/zinc/47/11/16/488471116.db2.gz LCJUVKZBWAGKFH-WOJBJXKFSA-N 2 0 374.529 0.982 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092924216 488477529 /nfs/dbraw/zinc/47/75/29/488477529.db2.gz YEWDALCPPKESDN-ZDUSSCGKSA-N 2 0 356.434 0.163 20 0 FCADRP Cc1cc(N2CC[C@@H]([N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)n(C)n1 ZINC000247498892 488486232 /nfs/dbraw/zinc/48/62/32/488486232.db2.gz LNGVENHOMPSEAW-DOTOQJQBSA-N 2 0 363.506 0.858 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000247598286 488488209 /nfs/dbraw/zinc/48/82/09/488488209.db2.gz KPBZGWXXHCLBOX-HZPDHXFCSA-N 2 0 368.522 0.090 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000248564033 488498327 /nfs/dbraw/zinc/49/83/27/488498327.db2.gz HPYYWJRTATUWAQ-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000248657433 488500434 /nfs/dbraw/zinc/50/04/34/488500434.db2.gz ALEUNSAFMJFGGH-JKSUJKDBSA-N 2 0 369.535 0.776 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103313476 488500715 /nfs/dbraw/zinc/50/07/15/488500715.db2.gz SZFPVCJWCZZURX-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000248878653 488503707 /nfs/dbraw/zinc/50/37/07/488503707.db2.gz KEFOMUCRVNLGIJ-WRWLIDTKSA-N 2 0 358.486 0.967 20 0 FCADRP Cc1ccc2c(c1)C(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000104532839 488504825 /nfs/dbraw/zinc/50/48/25/488504825.db2.gz XDBSASBDQNONIL-UHFFFAOYSA-N 2 0 360.458 0.543 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249010293 488505081 /nfs/dbraw/zinc/50/50/81/488505081.db2.gz OMUDJVHOPSQGQH-DLBZAZTESA-N 2 0 356.511 0.368 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779732 488505803 /nfs/dbraw/zinc/50/58/03/488505803.db2.gz XCWHCLDLCPMMAP-CQSZACIVSA-N 2 0 351.495 0.500 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108555002 488519440 /nfs/dbraw/zinc/51/94/40/488519440.db2.gz LLJFMEYQWLERMP-HNNXBMFYSA-N 2 0 353.511 0.618 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000261699934 488531683 /nfs/dbraw/zinc/53/16/83/488531683.db2.gz OOYHFJIADFQBBJ-GFCCVEGCSA-N 2 0 363.849 0.635 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112747710 488536117 /nfs/dbraw/zinc/53/61/17/488536117.db2.gz YQVXXNOAJQDXMC-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843860 488538201 /nfs/dbraw/zinc/53/82/01/488538201.db2.gz PSYLXRPZWHSTMW-GDBMZVCRSA-N 2 0 369.307 0.985 20 0 FCADRP O=C(CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916528 488541427 /nfs/dbraw/zinc/54/14/27/488541427.db2.gz UNOBSQHLCLXBCP-DLBZAZTESA-N 2 0 359.474 0.278 20 0 FCADRP O=C(CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916529 488541757 /nfs/dbraw/zinc/54/17/57/488541757.db2.gz UNOBSQHLCLXBCP-IAGOWNOFSA-N 2 0 359.474 0.278 20 0 FCADRP O=S1(=O)CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000271723531 488541933 /nfs/dbraw/zinc/54/19/33/488541933.db2.gz QOERRLALZQXQJF-MRXNPFEDSA-N 2 0 352.504 0.761 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000261921381 488541940 /nfs/dbraw/zinc/54/19/40/488541940.db2.gz XPHVTHLGGTUICJ-MSOLQXFVSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261996140 488544956 /nfs/dbraw/zinc/54/49/56/488544956.db2.gz NCXWLMOFNDTHSO-CABCVRRESA-N 2 0 354.495 0.236 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003320 488545597 /nfs/dbraw/zinc/54/55/97/488545597.db2.gz DSAMZIKSTCULCX-HDICACEKSA-N 3 0 351.539 0.299 20 0 FCADRP C[C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000262031314 488546741 /nfs/dbraw/zinc/54/67/41/488546741.db2.gz PKCJQPSIHLKYJJ-RDBSUJKOSA-N 2 0 350.429 0.965 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000116339401 488547049 /nfs/dbraw/zinc/54/70/49/488547049.db2.gz RZILALVUVOGSHE-UHFFFAOYSA-N 2 0 368.503 0.086 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000262283574 488561424 /nfs/dbraw/zinc/56/14/24/488561424.db2.gz UYOIGSBUWVQLJC-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000262410632 488568946 /nfs/dbraw/zinc/56/89/46/488568946.db2.gz PFXLKYIPRRHGAF-UHFFFAOYSA-N 2 0 368.865 0.374 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262453071 488570776 /nfs/dbraw/zinc/57/07/76/488570776.db2.gz WFCRQYZAFPLTFH-HZPDHXFCSA-N 2 0 360.458 0.701 20 0 FCADRP C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000122053609 488574464 /nfs/dbraw/zinc/57/44/64/488574464.db2.gz ILKQEOSCERURCD-MAUKXSAKSA-N 2 0 357.458 0.990 20 0 FCADRP C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)[C@@H]1CCC[NH2+]C1 ZINC000262519642 488574997 /nfs/dbraw/zinc/57/49/97/488574997.db2.gz XDLRMJYEMBLYNZ-UONOGXRCSA-N 2 0 368.503 0.888 20 0 FCADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000123437226 488585261 /nfs/dbraw/zinc/58/52/61/488585261.db2.gz BHNJGGPUINHQLN-KRWDZBQOSA-N 2 0 362.474 0.650 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000570028699 491211152 /nfs/dbraw/zinc/21/11/52/491211152.db2.gz JUFPSTYRKXPPBY-AWEZNQCLSA-N 2 0 365.444 0.854 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272726672 488601140 /nfs/dbraw/zinc/60/11/40/488601140.db2.gz YVQVCCQDHSABEK-UHFFFAOYSA-N 2 0 350.463 0.816 20 0 FCADRP C[C@H](C[S@](C)=O)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126339919 488608465 /nfs/dbraw/zinc/60/84/65/488608465.db2.gz BRVWVXNRJJEHAY-OYLFLEFRSA-N 2 0 352.504 0.819 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263276603 488608517 /nfs/dbraw/zinc/60/85/17/488608517.db2.gz YOPWJMWVKBPMPF-KRWDZBQOSA-N 2 0 356.511 0.435 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc(CN2CCOCC2)c1 ZINC000563064942 491212184 /nfs/dbraw/zinc/21/21/84/491212184.db2.gz QRNURMWHRVYRRP-SFHVURJKSA-N 2 0 374.485 0.393 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000273048793 488628146 /nfs/dbraw/zinc/62/81/46/488628146.db2.gz FCACQOZZPCGJPR-HXUWFJFHSA-N 2 0 374.529 0.897 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000129466501 488631529 /nfs/dbraw/zinc/63/15/29/488631529.db2.gz RXYXSZYHJRLHHL-KRWDZBQOSA-N 2 0 360.506 0.927 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563077658 491213289 /nfs/dbraw/zinc/21/32/89/491213289.db2.gz NFCPHUOPTBOSJA-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000563077626 491213310 /nfs/dbraw/zinc/21/33/10/491213310.db2.gz FOZRSWPXJMUYMF-MRXNPFEDSA-N 2 0 364.494 0.649 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000130528945 488638078 /nfs/dbraw/zinc/63/80/78/488638078.db2.gz WUOMHVOGHSTBGP-UHFFFAOYSA-N 2 0 364.494 0.664 20 0 FCADRP Cc1nc2cc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)ccc2n1C ZINC000130805321 488640228 /nfs/dbraw/zinc/64/02/28/488640228.db2.gz MPFBVDRWPJTKOH-CYBMUJFWSA-N 2 0 372.473 0.572 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000132133606 488651037 /nfs/dbraw/zinc/65/10/37/488651037.db2.gz ZYRZAVMHSVVOIH-GOSISDBHSA-N 2 0 350.463 0.424 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000134163186 488664896 /nfs/dbraw/zinc/66/48/96/488664896.db2.gz UNDSLSAZJQZSNY-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000134148794 488665106 /nfs/dbraw/zinc/66/51/06/488665106.db2.gz RZCMISMJCWIAPZ-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000136102614 488676594 /nfs/dbraw/zinc/67/65/94/488676594.db2.gz BQBSBQITTAMODY-KRWDZBQOSA-N 2 0 360.506 0.768 20 0 FCADRP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000137063249 488679831 /nfs/dbraw/zinc/67/98/31/488679831.db2.gz XCWFICMWSQODGK-INIZCTEOSA-N 2 0 363.506 0.635 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccsc1 ZINC000264538429 488683149 /nfs/dbraw/zinc/68/31/49/488683149.db2.gz AHDPHQKKNSAYRW-GJZGRUSLSA-N 2 0 367.519 0.990 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000140193289 488686034 /nfs/dbraw/zinc/68/60/34/488686034.db2.gz CSTHVIDHBCCLCX-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000151208863 488702930 /nfs/dbraw/zinc/70/29/30/488702930.db2.gz OHHUKTUPMACPEA-HZPDHXFCSA-N 2 0 356.511 0.584 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000152622953 488720470 /nfs/dbraw/zinc/72/04/70/488720470.db2.gz HUXQJMKMPUJHKB-AWEZNQCLSA-N 2 0 362.478 0.516 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000153248536 488729174 /nfs/dbraw/zinc/72/91/74/488729174.db2.gz JWYRWGIOPSLEGU-HNNXBMFYSA-N 2 0 364.494 0.620 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000153929467 488736509 /nfs/dbraw/zinc/73/65/09/488736509.db2.gz GXFQQMNZLGGZMV-HDICACEKSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000154644229 488745810 /nfs/dbraw/zinc/74/58/10/488745810.db2.gz PUPBNIGYRDLRFE-OAHLLOKOSA-N 2 0 366.485 0.934 20 0 FCADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000155030816 488749630 /nfs/dbraw/zinc/74/96/30/488749630.db2.gz KJXYMWVDBSYKIR-CABCVRRESA-N 2 0 354.520 0.881 20 0 FCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137105 488762625 /nfs/dbraw/zinc/76/26/25/488762625.db2.gz WKYHCTRHVDKVPZ-BRWVUGGUSA-N 2 0 360.506 0.834 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCSC1 ZINC000267261425 488773053 /nfs/dbraw/zinc/77/30/53/488773053.db2.gz CVLLJGPIEPKGJV-QGZVFWFLSA-N 2 0 374.470 0.759 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000267319877 488777537 /nfs/dbraw/zinc/77/75/37/488777537.db2.gz NAUFUWBATFJDSZ-INIZCTEOSA-N 2 0 361.490 0.357 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC1 ZINC000563152074 491222153 /nfs/dbraw/zinc/22/21/53/491222153.db2.gz GYTROXHHFZVNKX-DLBZAZTESA-N 2 0 350.507 0.728 20 0 FCADRP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000563153985 491222733 /nfs/dbraw/zinc/22/27/33/491222733.db2.gz LXBXLJSMGYSRRI-SJORKVTESA-N 2 0 369.487 0.541 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000570189004 491223140 /nfs/dbraw/zinc/22/31/40/491223140.db2.gz VZWCQQOZUXRUSJ-ZBFHGGJFSA-N 2 0 362.474 0.246 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000172984436 488839457 /nfs/dbraw/zinc/83/94/57/488839457.db2.gz XXXNZLUEULLKHL-UHFFFAOYSA-N 2 0 362.540 0.081 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000173398845 488842587 /nfs/dbraw/zinc/84/25/87/488842587.db2.gz QICMSEXQQDUFNG-INIZCTEOSA-N 2 0 355.527 0.280 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000173398139 488842597 /nfs/dbraw/zinc/84/25/97/488842597.db2.gz NEHNAGFLIYPUGR-QGZVFWFLSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000174292361 488848524 /nfs/dbraw/zinc/84/85/24/488848524.db2.gz NUABXLTUTJFOMJ-MSOLQXFVSA-N 2 0 351.539 0.997 20 0 FCADRP C[NH+]1CCN(CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000174485776 488849475 /nfs/dbraw/zinc/84/94/75/488849475.db2.gz AXYFSEBQHXEJMG-UHFFFAOYSA-N 2 0 359.518 0.411 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175684695 488855046 /nfs/dbraw/zinc/85/50/46/488855046.db2.gz GOQLFGKFQBKLQR-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000176098062 488857252 /nfs/dbraw/zinc/85/72/52/488857252.db2.gz SDEZIBWRPOJQMW-QGZVFWFLSA-N 2 0 368.522 0.851 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809466 491226853 /nfs/dbraw/zinc/22/68/53/491226853.db2.gz RJNPZWWIKFRIJC-WMLDXEAASA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509100 489011103 /nfs/dbraw/zinc/01/11/03/489011103.db2.gz JONJWUMCOHVJPL-IRXDYDNUSA-N 2 0 360.506 0.930 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280828701 489033981 /nfs/dbraw/zinc/03/39/81/489033981.db2.gz VSUJYWCIOKEBOC-SYNHAJSKSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000289113817 489042627 /nfs/dbraw/zinc/04/26/27/489042627.db2.gz GRGUPVHJOHAKDF-CQSZACIVSA-N 2 0 373.457 0.254 20 0 FCADRP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H](C)N1CCOCC1 ZINC000365327475 489064473 /nfs/dbraw/zinc/06/44/73/489064473.db2.gz OUEAZKVJEKXLGQ-BZSNNMDCSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@@H]1CC[C@@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)O1 ZINC000330074208 489066678 /nfs/dbraw/zinc/06/66/78/489066678.db2.gz FOBQWMPCKWPBII-WBVHZDCISA-N 2 0 366.506 0.251 20 0 FCADRP O=C([C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365354367 489066969 /nfs/dbraw/zinc/06/69/69/489066969.db2.gz KDGOVBDEOLHONQ-ZUQJMZMUSA-N 2 0 374.529 0.824 20 0 FCADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570308800 491232674 /nfs/dbraw/zinc/23/26/74/491232674.db2.gz DFFHKUPSISHTOD-UONOGXRCSA-N 2 0 363.437 0.842 20 0 FCADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)N1CC[NH+](C)CC1 ZINC000289971730 489105914 /nfs/dbraw/zinc/10/59/14/489105914.db2.gz XKOTZIPGURGSGL-KDOFPFPSSA-N 2 0 366.531 0.937 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290415905 489138142 /nfs/dbraw/zinc/13/81/42/489138142.db2.gz JJSADDJFZSOVGC-HOTGVXAUSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)C1=CC[N@H+](C)CC1 ZINC000290760113 489163535 /nfs/dbraw/zinc/16/35/35/489163535.db2.gz ZUSLXZLAIADBSR-HOCLYGCPSA-N 2 0 357.458 0.543 20 0 FCADRP C[N@H+](C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778486 489164919 /nfs/dbraw/zinc/16/49/19/489164919.db2.gz MOPBBKYUYLAGPN-XLIONFOSSA-N 2 0 372.469 0.638 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000331433011 489210638 /nfs/dbraw/zinc/21/06/38/489210638.db2.gz MMTXFKIWTLWPNJ-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCN(C)CC1 ZINC000332782724 489229794 /nfs/dbraw/zinc/22/97/94/489229794.db2.gz ZJUMZUKYPNCOID-NJAFHUGGSA-N 2 0 352.523 0.506 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000332899656 489244327 /nfs/dbraw/zinc/24/43/27/489244327.db2.gz UCZUWHGWAJCVIJ-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333639480 489262900 /nfs/dbraw/zinc/26/29/00/489262900.db2.gz HWKVOZRLXSMPOJ-ARFHVFGLSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738430 489269262 /nfs/dbraw/zinc/26/92/62/489269262.db2.gz XVWYCBDPMJJMLO-SZMVWBNQSA-N 2 0 366.506 0.744 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532031 489271411 /nfs/dbraw/zinc/27/14/11/489271411.db2.gz RGGBWKKGWGXVGG-DOTOQJQBSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370128118 489318406 /nfs/dbraw/zinc/31/84/06/489318406.db2.gz DINANQPESAKQIV-YESZJQIVSA-N 2 0 352.479 0.213 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000298724232 489357223 /nfs/dbraw/zinc/35/72/23/489357223.db2.gz WVZJDRWGOSNOEC-BZUAXINKSA-N 2 0 366.510 0.374 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698770 489363249 /nfs/dbraw/zinc/36/32/49/489363249.db2.gz CDCWLIHNSABFDX-QAPCUYQASA-N 2 0 370.497 0.590 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000370468564 489363783 /nfs/dbraw/zinc/36/37/83/489363783.db2.gz JKVCGOUDNSCULL-YKTARERQSA-N 2 0 353.507 0.992 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000370516292 489369934 /nfs/dbraw/zinc/36/99/34/489369934.db2.gz AIDBIOBKPCLJJC-QZTJIDSGSA-N 2 0 357.539 0.748 20 0 FCADRP COc1ncccc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000298968474 489389321 /nfs/dbraw/zinc/38/93/21/489389321.db2.gz QEFCYWOVZNMKHD-UHFFFAOYSA-N 2 0 365.478 0.761 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896046 489403545 /nfs/dbraw/zinc/40/35/45/489403545.db2.gz GTSVCESKVJSVKE-KZNAEPCWSA-N 2 0 367.538 0.111 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000362930410 489405723 /nfs/dbraw/zinc/40/57/23/489405723.db2.gz DOUYMYMMSJAJTJ-IAGOWNOFSA-N 2 0 360.458 0.666 20 0 FCADRP C[N@H+](C[C@@H](O)CNCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254079 /nfs/dbraw/zinc/25/40/79/491254079.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 2 0 374.529 0.929 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000371019694 489438079 /nfs/dbraw/zinc/43/80/79/489438079.db2.gz QHSSOFYUMZPBNE-QGZVFWFLSA-N 2 0 354.495 0.461 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000563606762 491258088 /nfs/dbraw/zinc/25/80/88/491258088.db2.gz UFWXCUDOUVDZJT-SFYZZRBRSA-N 2 0 363.506 0.452 20 0 FCADRP CC(C)NC(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299518883 489450267 /nfs/dbraw/zinc/45/02/67/489450267.db2.gz PWBGAUSNGPVBOS-UHFFFAOYSA-N 2 0 362.478 0.418 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)N3CCOCC3)CC2)CC1 ZINC000371158667 489458135 /nfs/dbraw/zinc/45/81/35/489458135.db2.gz VSDFWXSDIFYJOX-UHFFFAOYSA-N 3 0 366.550 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394467 489462226 /nfs/dbraw/zinc/46/22/26/489462226.db2.gz AQJOZIUNCKAYNK-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(CC(N)=O)CC3)C2)CC1 ZINC000363408276 489463840 /nfs/dbraw/zinc/46/38/40/489463840.db2.gz PXJWJFHEAFUYBG-OAHLLOKOSA-N 2 0 351.495 0.452 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1C ZINC000287150731 489465382 /nfs/dbraw/zinc/46/53/82/489465382.db2.gz YLMHPUCAYVPZQJ-HIFRSBDPSA-N 2 0 362.478 0.045 20 0 FCADRP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097069 489492483 /nfs/dbraw/zinc/49/24/83/489492483.db2.gz AEVFUAYGVUFGFS-KDOFPFPSSA-N 2 0 357.414 0.910 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423094565 489492511 /nfs/dbraw/zinc/49/25/11/489492511.db2.gz KKKIISKYWLRBIE-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423092625 489492523 /nfs/dbraw/zinc/49/25/23/489492523.db2.gz CSXFVUACQJIXIG-HNNXBMFYSA-N 2 0 350.438 0.666 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[C@H]1[NH3+] ZINC000423093666 489492629 /nfs/dbraw/zinc/49/26/29/489492629.db2.gz IJAZJDYQBJWVBF-CZUORRHYSA-N 2 0 350.438 0.522 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423160773 489498230 /nfs/dbraw/zinc/49/82/30/489498230.db2.gz HVGQMIDMYBMYST-QZTJIDSGSA-N 2 0 373.501 0.702 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423169486 489498905 /nfs/dbraw/zinc/49/89/05/489498905.db2.gz WAFZFZYMSKTBJV-GOEBONIOSA-N 2 0 364.465 0.912 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000423169706 489498997 /nfs/dbraw/zinc/49/89/97/489498997.db2.gz KFMBVXDKYZGURD-CJNGLKHVSA-N 2 0 350.463 0.674 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423171163 489499859 /nfs/dbraw/zinc/49/98/59/489499859.db2.gz ZNVIWNFFYCIDDJ-WMZOPIPTSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423198061 489501186 /nfs/dbraw/zinc/50/11/86/489501186.db2.gz CUHWBGAPKPXBHS-UHFFFAOYSA-N 2 0 360.502 0.959 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423199995 489501828 /nfs/dbraw/zinc/50/18/28/489501828.db2.gz DDMKEICRFRBKPH-ZDUSSCGKSA-N 2 0 368.428 0.662 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423199431 489502316 /nfs/dbraw/zinc/50/23/16/489502316.db2.gz BLZOIXOURIJSJZ-CYBMUJFWSA-N 2 0 354.401 0.415 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423204500 489502482 /nfs/dbraw/zinc/50/24/82/489502482.db2.gz UKRURWDGXYNEPR-GOSISDBHSA-N 2 0 360.502 0.959 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000423204801 489502510 /nfs/dbraw/zinc/50/25/10/489502510.db2.gz OOXJIFJWYBOVGK-HNNXBMFYSA-N 2 0 368.428 0.675 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423214234 489503626 /nfs/dbraw/zinc/50/36/26/489503626.db2.gz OLGUSHRWTHXYKU-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000423236173 489506553 /nfs/dbraw/zinc/50/65/53/489506553.db2.gz RRCWZXOCLZSEAF-IBGZPJMESA-N 2 0 372.513 0.961 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)CC1 ZINC000423298775 489512829 /nfs/dbraw/zinc/51/28/29/489512829.db2.gz AIVGRURVLXGGCE-RJYAGPCLSA-N 2 0 350.507 0.907 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)CC1 ZINC000423304206 489513206 /nfs/dbraw/zinc/51/32/06/489513206.db2.gz NOMTWWZFTCCMRW-MNAZLIDISA-N 2 0 350.507 0.905 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423301305 489513519 /nfs/dbraw/zinc/51/35/19/489513519.db2.gz HGGMZXZCJZRPRA-CGZBRXJRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000415415471 489518568 /nfs/dbraw/zinc/51/85/68/489518568.db2.gz IILJZVLTEGBKSZ-HNNXBMFYSA-N 2 0 361.490 0.881 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000415479246 489524558 /nfs/dbraw/zinc/52/45/58/489524558.db2.gz HJJKJUNLPASMPX-CVEARBPZSA-N 2 0 360.458 0.918 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)c2)CC1 ZINC000415542237 489527684 /nfs/dbraw/zinc/52/76/84/489527684.db2.gz PPIMFJRBBBZWLU-HOTGVXAUSA-N 2 0 373.501 0.963 20 0 FCADRP CCN(CC(=O)NC(C)C)C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451997727 489536633 /nfs/dbraw/zinc/53/66/33/489536633.db2.gz ZPTBFIHQTUBVES-UHFFFAOYSA-N 2 0 369.554 0.365 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000451991321 489536707 /nfs/dbraw/zinc/53/67/07/489536707.db2.gz SNYQQBCEZGEKEC-UHFFFAOYSA-N 2 0 367.416 0.380 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415850400 489558451 /nfs/dbraw/zinc/55/84/51/489558451.db2.gz GLWXTDOBVUJEJU-SFHVURJKSA-N 2 0 373.501 0.283 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005280 489567420 /nfs/dbraw/zinc/56/74/20/489567420.db2.gz JMHZBSYIXHFZHN-QWHCGFSZSA-N 2 0 353.433 0.839 20 0 FCADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000454446493 489570632 /nfs/dbraw/zinc/57/06/32/489570632.db2.gz KTMRQXIECXHMTO-INIZCTEOSA-N 2 0 363.510 0.628 20 0 FCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000372399406 489581195 /nfs/dbraw/zinc/58/11/95/489581195.db2.gz JROVQLXQORRPPN-SFHVURJKSA-N 2 0 358.486 0.005 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000372399198 489581208 /nfs/dbraw/zinc/58/12/08/489581208.db2.gz DMOZRAPTDIRDDF-QGZVFWFLSA-N 2 0 374.466 0.577 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000372458767 489586177 /nfs/dbraw/zinc/58/61/77/489586177.db2.gz UOLZATXLJFOASV-LJQANCHMSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000416433517 489592275 /nfs/dbraw/zinc/59/22/75/489592275.db2.gz PRJYOOWUTSLVBN-ZIAGYGMSSA-N 2 0 367.519 0.847 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000427298217 489601564 /nfs/dbraw/zinc/60/15/64/489601564.db2.gz AJHZICJXQCPMAK-UKRRQHHQSA-N 2 0 362.478 0.687 20 0 FCADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCNC1=O ZINC000427455469 489609165 /nfs/dbraw/zinc/60/91/65/489609165.db2.gz JMZPJFJHLPAUNJ-IBGZPJMESA-N 2 0 359.474 0.626 20 0 FCADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCNC1=O ZINC000427455470 489609365 /nfs/dbraw/zinc/60/93/65/489609365.db2.gz JMZPJFJHLPAUNJ-LJQANCHMSA-N 2 0 359.474 0.626 20 0 FCADRP COCCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000427739032 489619095 /nfs/dbraw/zinc/61/90/95/489619095.db2.gz DXCUKXQSVJLAQY-MRXNPFEDSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691959 489622599 /nfs/dbraw/zinc/62/25/99/489622599.db2.gz DQQCINIHYRHVFG-AJNQNCSDSA-N 2 0 364.534 0.689 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416812132 489629865 /nfs/dbraw/zinc/62/98/65/489629865.db2.gz LNKSNZOEXZNPJH-UHFFFAOYSA-N 2 0 367.538 0.616 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000416830551 489630581 /nfs/dbraw/zinc/63/05/81/489630581.db2.gz AAIJWUFTZDEFHF-GOSISDBHSA-N 2 0 361.490 0.092 20 0 FCADRP COc1ccc([C@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)cc1 ZINC000416823996 489630642 /nfs/dbraw/zinc/63/06/42/489630642.db2.gz OLLVOJUNUXUHFK-KRWDZBQOSA-N 2 0 350.463 0.795 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416841623 489631194 /nfs/dbraw/zinc/63/11/94/489631194.db2.gz MBSMYQQLVYQMLP-UHFFFAOYSA-N 2 0 374.533 0.009 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416943546 489635009 /nfs/dbraw/zinc/63/50/09/489635009.db2.gz CHGUNSFCUQRDBZ-SFHVURJKSA-N 2 0 369.554 0.718 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000416963443 489636787 /nfs/dbraw/zinc/63/67/87/489636787.db2.gz UWTPOKFIDTYYTP-IAGOWNOFSA-N 2 0 356.511 0.801 20 0 FCADRP COCC1(CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000416960269 489636869 /nfs/dbraw/zinc/63/68/69/489636869.db2.gz ZXXLSBSDHNMSBW-HOTGVXAUSA-N 2 0 356.511 0.801 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000416982265 489638042 /nfs/dbraw/zinc/63/80/42/489638042.db2.gz DVGRTOUNSZRINB-SJLPKXTDSA-N 2 0 364.490 0.787 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372853412 489644202 /nfs/dbraw/zinc/64/42/02/489644202.db2.gz CGRFAKPBDAEWBP-HXUWFJFHSA-N 2 0 372.513 0.649 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236365 489645395 /nfs/dbraw/zinc/64/53/95/489645395.db2.gz FIJQYPATORBJPZ-ZIAGYGMSSA-N 2 0 365.444 0.854 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730872 491268359 /nfs/dbraw/zinc/26/83/59/491268359.db2.gz MDXDYWKBBTUFPX-DOTOQJQBSA-N 2 0 366.506 0.226 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242116 489645666 /nfs/dbraw/zinc/64/56/66/489645666.db2.gz SYCXIXJSOMIJHP-HOTGVXAUSA-N 2 0 367.538 0.993 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417285882 489645981 /nfs/dbraw/zinc/64/59/81/489645981.db2.gz IEDZNQILWWKPOR-QWHCGFSZSA-N 2 0 353.433 0.852 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417295249 489646791 /nfs/dbraw/zinc/64/67/91/489646791.db2.gz DLSOJCJYIVVCQD-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417360756 489649343 /nfs/dbraw/zinc/64/93/43/489649343.db2.gz BJODAFCNMFCROT-IAGOWNOFSA-N 3 0 360.506 0.972 20 0 FCADRP [NH3+]CC1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000417366758 489649511 /nfs/dbraw/zinc/64/95/11/489649511.db2.gz KZNBRUNMSIXNLS-UHFFFAOYSA-N 3 0 360.506 0.974 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417419659 489652065 /nfs/dbraw/zinc/65/20/65/489652065.db2.gz DGKXPMWGAYTAPA-HZPDHXFCSA-N 2 0 353.511 0.618 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000417429827 489652862 /nfs/dbraw/zinc/65/28/62/489652862.db2.gz NXPJUURGAXYHJL-HRCADAONSA-N 2 0 353.511 0.616 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417428140 489652938 /nfs/dbraw/zinc/65/29/38/489652938.db2.gz KFBUEXNQMOXLCF-CVEARBPZSA-N 2 0 353.511 0.761 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417434205 489653635 /nfs/dbraw/zinc/65/36/35/489653635.db2.gz WUUXBAXYLXUTNN-ULQDDVLXSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417478839 489655418 /nfs/dbraw/zinc/65/54/18/489655418.db2.gz SJMSBJPUVLVBLD-KRWDZBQOSA-N 2 0 361.490 0.871 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000417479869 489655718 /nfs/dbraw/zinc/65/57/18/489655718.db2.gz LEMFRGGUJMCEEN-KRWDZBQOSA-N 2 0 350.463 0.805 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417478842 489655725 /nfs/dbraw/zinc/65/57/25/489655725.db2.gz SJMSBJPUVLVBLD-QGZVFWFLSA-N 2 0 361.490 0.871 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000417502731 489656377 /nfs/dbraw/zinc/65/63/77/489656377.db2.gz BUPUFSJUQOHZMC-QGZVFWFLSA-N 2 0 350.463 0.539 20 0 FCADRP C[NH2+]CCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417534632 489657438 /nfs/dbraw/zinc/65/74/38/489657438.db2.gz AGUZZWQUUBVFCB-KRWDZBQOSA-N 2 0 361.490 0.793 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H]3CCC[NH2+]3)c2)C1 ZINC000417544384 489657839 /nfs/dbraw/zinc/65/78/39/489657839.db2.gz HMINVMVVRBUTGK-QZTJIDSGSA-N 2 0 373.501 0.935 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)c2)C1 ZINC000417550568 489658090 /nfs/dbraw/zinc/65/80/90/489658090.db2.gz VSRBCOGUMCFPLP-MSOLQXFVSA-N 2 0 373.501 0.920 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000417548592 489658250 /nfs/dbraw/zinc/65/82/50/489658250.db2.gz QZMQPMOUGSOVFT-ZWKOTPCHSA-N 2 0 373.501 0.887 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417550129 489658370 /nfs/dbraw/zinc/65/83/70/489658370.db2.gz UNPLRQUQRXMRHF-WMLDXEAASA-N 2 0 361.490 0.778 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000417550105 489658405 /nfs/dbraw/zinc/65/84/05/489658405.db2.gz UMBJUYFTRJICJT-IRXDYDNUSA-N 2 0 359.474 0.545 20 0 FCADRP CC(C)([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417549564 489658439 /nfs/dbraw/zinc/65/84/39/489658439.db2.gz TYKZFUDCDSTPEL-MRXNPFEDSA-N 2 0 361.490 0.920 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417551432 489658515 /nfs/dbraw/zinc/65/85/15/489658515.db2.gz ZQMUOHUWQOGILL-WMLDXEAASA-N 2 0 361.490 0.920 20 0 FCADRP COc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1OCC[NH+](C)C ZINC000417681356 489660740 /nfs/dbraw/zinc/66/07/40/489660740.db2.gz JQJPDQXONWWZIY-SFHVURJKSA-N 2 0 366.462 0.824 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762682 489663746 /nfs/dbraw/zinc/66/37/46/489663746.db2.gz XVLUFGQCJYFKMY-INIZCTEOSA-N 2 0 351.495 0.500 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417793315 489666025 /nfs/dbraw/zinc/66/60/25/489666025.db2.gz ZTFFHRNOFMQBFD-CQSZACIVSA-N 2 0 356.492 0.886 20 0 FCADRP C[C@H](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000418017936 489675890 /nfs/dbraw/zinc/67/58/90/489675890.db2.gz HYMFCAGOOBOZKR-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418104236 489678485 /nfs/dbraw/zinc/67/84/85/489678485.db2.gz XHZPDIQEXIZRCA-LSDHHAIUSA-N 2 0 353.511 0.603 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408409 489681019 /nfs/dbraw/zinc/68/10/19/489681019.db2.gz DKCOGEXCZKMPMX-JKSUJKDBSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000555754710 491270799 /nfs/dbraw/zinc/27/07/99/491270799.db2.gz KRKIKAZPSRCGNS-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000418183432 489683805 /nfs/dbraw/zinc/68/38/05/489683805.db2.gz PGVIJSWDHUDGJB-VIYLOZMYSA-N 2 0 353.511 0.743 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418294966 489689452 /nfs/dbraw/zinc/68/94/52/489689452.db2.gz IQHLICWDXFZVMT-UHFFFAOYSA-N 2 0 353.511 0.844 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418301614 489689819 /nfs/dbraw/zinc/68/98/19/489689819.db2.gz RWNJZXUFXRVBQV-UHFFFAOYSA-N 2 0 369.554 0.672 20 0 FCADRP C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000418358600 489693366 /nfs/dbraw/zinc/69/33/66/489693366.db2.gz ZEJALGOBIKHGHE-AVGNSLFASA-N 2 0 351.417 0.510 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418385360 489695786 /nfs/dbraw/zinc/69/57/86/489695786.db2.gz PJKSTQDDSKYFKU-HOTGVXAUSA-N 2 0 353.511 0.923 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000429682567 489696932 /nfs/dbraw/zinc/69/69/32/489696932.db2.gz ZBDPPUWRUFHLBJ-OALUTQOASA-N 2 0 365.566 0.641 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709378 489696968 /nfs/dbraw/zinc/69/69/68/489696968.db2.gz CSLVSFRGSVGOHX-SJORKVTESA-N 2 0 356.511 0.633 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418483392 489702093 /nfs/dbraw/zinc/70/20/93/489702093.db2.gz CDDCJSZXIWYGKP-ZWKOTPCHSA-N 2 0 364.490 0.405 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000418486882 489702128 /nfs/dbraw/zinc/70/21/28/489702128.db2.gz IXPWZQYVDGCYGN-AWEZNQCLSA-N 2 0 365.453 0.478 20 0 FCADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418512974 489702796 /nfs/dbraw/zinc/70/27/96/489702796.db2.gz LXNAIDXAGIQPKQ-IAGOWNOFSA-N 2 0 360.506 0.972 20 0 FCADRP C[C@]1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000418533318 489704948 /nfs/dbraw/zinc/70/49/48/489704948.db2.gz DHHCZOMSMZIZSZ-BXWFABGCSA-N 2 0 365.522 0.666 20 0 FCADRP NCC(F)(F)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418543864 489706219 /nfs/dbraw/zinc/70/62/19/489706219.db2.gz TXLYWZJMZYMQAT-GJZGRUSLSA-N 2 0 356.417 0.763 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418562245 489707079 /nfs/dbraw/zinc/70/70/79/489707079.db2.gz QTISSHVYWRPKOO-MSOLQXFVSA-N 2 0 364.490 0.754 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418557415 489707232 /nfs/dbraw/zinc/70/72/32/489707232.db2.gz AYOUTLPPXJAZGB-VZAMPYOESA-N 2 0 354.401 0.290 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000418565586 489708162 /nfs/dbraw/zinc/70/81/62/489708162.db2.gz VNTIAMPXUWEETF-LNLFQRSKSA-N 2 0 362.474 0.507 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609332 489709500 /nfs/dbraw/zinc/70/95/00/489709500.db2.gz FHGSIMYPZJSFKB-HZSPNIEDSA-N 2 0 365.444 0.804 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418611513 489710277 /nfs/dbraw/zinc/71/02/77/489710277.db2.gz HRSSNGOICVKPSY-SYQHCUMBSA-N 2 0 363.428 0.510 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611503 489710455 /nfs/dbraw/zinc/71/04/55/489710455.db2.gz HQJCIHWLNMBQKE-ZIAGYGMSSA-N 2 0 365.444 0.948 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000418617877 489710973 /nfs/dbraw/zinc/71/09/73/489710973.db2.gz NRADRKACAZSLME-JHJVBQTASA-N 2 0 351.417 0.591 20 0 FCADRP COCC1(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[NH2+]CC1 ZINC000418649335 489715657 /nfs/dbraw/zinc/71/56/57/489715657.db2.gz UUULQBKBMLYEDB-MRXNPFEDSA-N 2 0 356.511 0.755 20 0 FCADRP CC(C)C[C@H](NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000418725764 489720467 /nfs/dbraw/zinc/72/04/67/489720467.db2.gz PAPSWPAOWBRCRW-JYJNAYRXSA-N 2 0 355.527 0.896 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000418736338 489721338 /nfs/dbraw/zinc/72/13/38/489721338.db2.gz UMTRHSRGIXLSQV-INIZCTEOSA-N 2 0 355.527 0.993 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418756089 489723102 /nfs/dbraw/zinc/72/31/02/489723102.db2.gz COFVMWJAOWZSLN-SQNIBIBYSA-N 2 0 362.474 0.157 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000418755732 489723513 /nfs/dbraw/zinc/72/35/13/489723513.db2.gz GGYGMZITWPSUND-KRWDZBQOSA-N 2 0 363.506 0.672 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418793963 489728385 /nfs/dbraw/zinc/72/83/85/489728385.db2.gz AYPCONYAJYCCIB-INIZCTEOSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)NCC[NH+]1CCCCCC1 ZINC000418793677 489728543 /nfs/dbraw/zinc/72/85/43/489728543.db2.gz OWNNJXRMJMMXFZ-GVDBMIGSSA-N 2 0 365.522 0.666 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000471056160 489729245 /nfs/dbraw/zinc/72/92/45/489729245.db2.gz IZNJBLNHPGASQT-IBGZPJMESA-N 2 0 362.474 0.650 20 0 FCADRP COC[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000489841387 489730733 /nfs/dbraw/zinc/73/07/33/489730733.db2.gz RPPGXGYQYOSQMF-IBGZPJMESA-N 2 0 363.502 0.954 20 0 FCADRP C[C@@H]1NC(=O)N(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000459417944 489730975 /nfs/dbraw/zinc/73/09/75/489730975.db2.gz WFVRYNIFBVZEGH-HNNXBMFYSA-N 2 0 352.479 0.751 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418809090 489733575 /nfs/dbraw/zinc/73/35/75/489733575.db2.gz FUWHSBVVFUZYLC-IAGOWNOFSA-N 2 0 362.474 0.290 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418819180 489737460 /nfs/dbraw/zinc/73/74/60/489737460.db2.gz ODIZFWDGWPEVMS-OXQOHEQNSA-N 2 0 358.486 0.978 20 0 FCADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC000459541748 489737943 /nfs/dbraw/zinc/73/79/43/489737943.db2.gz UIQRFCGKUMRORZ-UHFFFAOYSA-N 2 0 369.535 0.314 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000418828203 489742437 /nfs/dbraw/zinc/74/24/37/489742437.db2.gz CTWWMODIYDTXLY-MRXNPFEDSA-N 2 0 362.474 0.611 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCCC1 ZINC000418829938 489743728 /nfs/dbraw/zinc/74/37/28/489743728.db2.gz FFIRNCRBUFQGJA-DOTOQJQBSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831557 489744485 /nfs/dbraw/zinc/74/44/85/489744485.db2.gz GPXDHIYLAHGEAY-ROUUACIJSA-N 2 0 360.502 0.909 20 0 FCADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430561166 489745913 /nfs/dbraw/zinc/74/59/13/489745913.db2.gz JXTFFFFQURLHOD-INIZCTEOSA-N 2 0 360.506 0.835 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000418837293 489747919 /nfs/dbraw/zinc/74/79/19/489747919.db2.gz AHZKMYLQQOFTOI-BPQIPLTHSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418838136 489748781 /nfs/dbraw/zinc/74/87/81/489748781.db2.gz BQRVPRFTFWTJLS-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000418841505 489751327 /nfs/dbraw/zinc/75/13/27/489751327.db2.gz ZCHCSMBNTMKFHV-TZMCWYRMSA-N 2 0 366.462 0.276 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000418841502 489751420 /nfs/dbraw/zinc/75/14/20/489751420.db2.gz ZCHCSMBNTMKFHV-JSGCOSHPSA-N 2 0 366.462 0.276 20 0 FCADRP [NH3+]CC1CC[NH+](CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000430606148 489751925 /nfs/dbraw/zinc/75/19/25/489751925.db2.gz UQDAPQMSYNRBML-UHFFFAOYSA-N 2 0 352.523 0.808 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]2CCCCC2)cc1 ZINC000418842099 489751959 /nfs/dbraw/zinc/75/19/59/489751959.db2.gz ZRAXRBCQJDYATO-QGZVFWFLSA-N 2 0 362.474 0.756 20 0 FCADRP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608520 489752382 /nfs/dbraw/zinc/75/23/82/489752382.db2.gz FSKFMFRFNSVPIR-WMZOPIPTSA-N 2 0 360.502 0.829 20 0 FCADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613390 489753280 /nfs/dbraw/zinc/75/32/80/489753280.db2.gz WGPHWRHEXHPBHC-ZACQAIPSSA-N 2 0 368.522 0.485 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613242 489753594 /nfs/dbraw/zinc/75/35/94/489753594.db2.gz UUJGIILNMIMCFB-HLLBOEOZSA-N 2 0 374.485 0.802 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000418848384 489754631 /nfs/dbraw/zinc/75/46/31/489754631.db2.gz LLEIVZQTMRSCSE-ZBFHGGJFSA-N 2 0 360.458 0.426 20 0 FCADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618210 489755279 /nfs/dbraw/zinc/75/52/79/489755279.db2.gz RWDRFAAHMNHXAD-DOTOQJQBSA-N 2 0 362.518 0.920 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418850173 489755608 /nfs/dbraw/zinc/75/56/08/489755608.db2.gz DTFAXKVFMXDSIW-WMLDXEAASA-N 2 0 362.474 0.659 20 0 FCADRP O=C([C@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621363 489755899 /nfs/dbraw/zinc/75/58/99/489755899.db2.gz JCWKZNLQVUDMAU-INIZCTEOSA-N 2 0 369.473 0.349 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]1CCCC1 ZINC000418852179 489757351 /nfs/dbraw/zinc/75/73/51/489757351.db2.gz QIZBQTXFTGOXJM-HNNXBMFYSA-N 2 0 362.474 0.802 20 0 FCADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631180 489758621 /nfs/dbraw/zinc/75/86/21/489758621.db2.gz UFRAWGKODSBVLF-GOSISDBHSA-N 2 0 358.486 0.755 20 0 FCADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635458 489758707 /nfs/dbraw/zinc/75/87/07/489758707.db2.gz HANDCIVYHYSPLE-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633296 489759080 /nfs/dbraw/zinc/75/90/80/489759080.db2.gz ZQSWMUYSYFWUPH-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856026 489759721 /nfs/dbraw/zinc/75/97/21/489759721.db2.gz WFBXBNWIDKLRGS-ROUUACIJSA-N 2 0 360.502 0.863 20 0 FCADRP CCN1CCN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459827918 489761931 /nfs/dbraw/zinc/76/19/31/489761931.db2.gz ZDTIEFXUAFGATN-UHFFFAOYSA-N 2 0 373.501 0.921 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418862210 489763627 /nfs/dbraw/zinc/76/36/27/489763627.db2.gz NXSQVKMGAVKBJT-FGTMMUONSA-N 2 0 356.470 0.618 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418863226 489763973 /nfs/dbraw/zinc/76/39/73/489763973.db2.gz PCJMFUXRKIFFFR-NCXUSEDFSA-N 2 0 370.497 0.881 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000418864904 489764882 /nfs/dbraw/zinc/76/48/82/489764882.db2.gz RBSXZYOSNDQYCF-NVXWUHKLSA-N 2 0 362.474 0.754 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418866808 489766119 /nfs/dbraw/zinc/76/61/19/489766119.db2.gz UCBWRESWLQJDBF-LXZKKBNFSA-N 2 0 362.474 0.610 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000418874528 489769846 /nfs/dbraw/zinc/76/98/46/489769846.db2.gz ZYVWTTYIAWOXNA-HZPDHXFCSA-N 2 0 368.522 0.498 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)c1 ZINC000418875601 489769997 /nfs/dbraw/zinc/76/99/97/489769997.db2.gz KXERZHOEDIVYHO-CRAIPNDOSA-N 2 0 374.485 0.769 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418877303 489771119 /nfs/dbraw/zinc/77/11/19/489771119.db2.gz OLRQJPDYRVPHNZ-DOTOQJQBSA-N 2 0 360.458 0.426 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000376661891 489771700 /nfs/dbraw/zinc/77/17/00/489771700.db2.gz YGVGSBHYTFTAFY-NPYXIHBLSA-N 2 0 365.522 0.854 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418883351 489774028 /nfs/dbraw/zinc/77/40/28/489774028.db2.gz UZSHUKHEUVYPOY-ROUUACIJSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H]1C[NH3+] ZINC000418885240 489774564 /nfs/dbraw/zinc/77/45/64/489774564.db2.gz YGJMYFGWTVGNRG-XHSDSOJGSA-N 2 0 354.495 0.189 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000430870075 489774708 /nfs/dbraw/zinc/77/47/08/489774708.db2.gz SCHPSYRVBFTWIY-GOSISDBHSA-N 2 0 374.485 0.743 20 0 FCADRP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C)[NH2+]1 ZINC000430921217 489777413 /nfs/dbraw/zinc/77/74/13/489777413.db2.gz RXMDEUMTZHAKGH-IRXDYDNUSA-N 2 0 352.523 0.820 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000490640958 489777827 /nfs/dbraw/zinc/77/78/27/489777827.db2.gz OBMPFDKYWTUUSW-JKSUJKDBSA-N 2 0 356.511 0.584 20 0 FCADRP CCCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083323 489787679 /nfs/dbraw/zinc/78/76/79/489787679.db2.gz LMKIQPGESRORFX-SFHVURJKSA-N 2 0 354.539 0.923 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000418911850 489788172 /nfs/dbraw/zinc/78/81/72/489788172.db2.gz CBDWGSFZKSFYQB-ARFHVFGLSA-N 2 0 354.495 0.045 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000459916762 489790754 /nfs/dbraw/zinc/79/07/54/489790754.db2.gz INMCPATVOBNOMV-LJQANCHMSA-N 2 0 366.506 0.111 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000459916979 489790919 /nfs/dbraw/zinc/79/09/19/489790919.db2.gz GBIBKHTWIDFFCP-UHFFFAOYSA-N 2 0 361.490 0.755 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000418921425 489792481 /nfs/dbraw/zinc/79/24/81/489792481.db2.gz JJSZWMLKHBWLPY-OLMMMNRUSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418924831 489793516 /nfs/dbraw/zinc/79/35/16/489793516.db2.gz PNTCEYAOSYSXQK-HOTGVXAUSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000570999782 491279223 /nfs/dbraw/zinc/27/92/23/491279223.db2.gz YLFDSDPDBFKBSM-DLBZAZTESA-N 2 0 370.538 0.648 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000418936040 489795882 /nfs/dbraw/zinc/79/58/82/489795882.db2.gz BECSEQNJZOJAOM-DOTOQJQBSA-N 2 0 362.474 0.118 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000555888467 491279339 /nfs/dbraw/zinc/27/93/39/491279339.db2.gz SFNSRDJWIPPIBX-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCCO1 ZINC000418942655 489798728 /nfs/dbraw/zinc/79/87/28/489798728.db2.gz XXHFZDLUMISEFH-INIZCTEOSA-N 2 0 354.495 0.335 20 0 FCADRP O=C(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431298674 489800237 /nfs/dbraw/zinc/80/02/37/489800237.db2.gz VAOOLPHEISDUFL-INIZCTEOSA-N 2 0 365.522 0.762 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000418946856 489800288 /nfs/dbraw/zinc/80/02/88/489800288.db2.gz OXNJFCONNKATQV-XOKHGSTOSA-N 2 0 364.465 0.925 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000418950197 489801753 /nfs/dbraw/zinc/80/17/53/489801753.db2.gz SRSOMICFPONTBB-JLJPHGGASA-N 2 0 364.465 0.925 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418949585 489801777 /nfs/dbraw/zinc/80/17/77/489801777.db2.gz VBFBYCOAPBLHGO-CABCVRRESA-N 2 0 366.462 0.273 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418961354 489805371 /nfs/dbraw/zinc/80/53/71/489805371.db2.gz JUPMDDSPMXSJLK-QGZVFWFLSA-N 2 0 374.485 0.585 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418961939 489805578 /nfs/dbraw/zinc/80/55/78/489805578.db2.gz KHVHIRMHFNEZES-UHFFFAOYSA-N 2 0 362.474 0.631 20 0 FCADRP COC(=O)C[C@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000475131205 489806995 /nfs/dbraw/zinc/80/69/95/489806995.db2.gz YRYOBUZGULXRFH-QFBILLFUSA-N 2 0 363.458 0.717 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418968755 489807031 /nfs/dbraw/zinc/80/70/31/489807031.db2.gz UNOTXDQBHLXNON-OAHLLOKOSA-N 2 0 362.474 0.488 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459994352 489812280 /nfs/dbraw/zinc/81/22/80/489812280.db2.gz UWBQLBOIHNJNJK-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000419004305 489815280 /nfs/dbraw/zinc/81/52/80/489815280.db2.gz QYCDZCMSDOXJFA-FQEVSTJZSA-N 2 0 358.486 0.837 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023857 489821389 /nfs/dbraw/zinc/82/13/89/489821389.db2.gz KASPDQOFQNPGTE-HOTGVXAUSA-N 2 0 368.522 0.579 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419024847 489822439 /nfs/dbraw/zinc/82/24/39/489822439.db2.gz LCRZSXVYFZXHDX-GJZGRUSLSA-N 2 0 356.511 0.211 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419027720 489823283 /nfs/dbraw/zinc/82/32/83/489823283.db2.gz PGKBZZAVOKJRFH-FZKCQIBNSA-N 2 0 352.523 0.973 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419026390 489823344 /nfs/dbraw/zinc/82/33/44/489823344.db2.gz NLXQBKUDZGPJPL-HRCADAONSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419026392 489823659 /nfs/dbraw/zinc/82/36/59/489823659.db2.gz NLXQBKUDZGPJPL-XHSDSOJGSA-N 2 0 352.523 0.927 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000419027344 489823726 /nfs/dbraw/zinc/82/37/26/489823726.db2.gz CEDOKQWZKNFPOP-OAHLLOKOSA-N 2 0 368.547 0.708 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000419035719 489828650 /nfs/dbraw/zinc/82/86/50/489828650.db2.gz ZLKHFBBYHKDNON-HXUWFJFHSA-N 2 0 358.486 0.967 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419037910 489829534 /nfs/dbraw/zinc/82/95/34/489829534.db2.gz DQOSVXMCQMPHEG-DOTOQJQBSA-N 2 0 368.522 0.720 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C[C@H]1[NH+](C)C ZINC000460064969 489839655 /nfs/dbraw/zinc/83/96/55/489839655.db2.gz XLKCQZRYIZSZLA-ZMSDIMECSA-N 2 0 366.506 0.107 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000460081674 489847700 /nfs/dbraw/zinc/84/77/00/489847700.db2.gz MHYMAJASNBCGLZ-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000460084553 489848571 /nfs/dbraw/zinc/84/85/71/489848571.db2.gz VETTTXNSPXFJJF-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419095583 489854284 /nfs/dbraw/zinc/85/42/84/489854284.db2.gz ATZMNDGNNKHNFE-YYIAUSFCSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000419100876 489855761 /nfs/dbraw/zinc/85/57/61/489855761.db2.gz CHTXRMDTRINCLT-JLJPHGGASA-N 2 0 362.449 0.699 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000555923141 491283604 /nfs/dbraw/zinc/28/36/04/491283604.db2.gz ZCEOUNZTUXEFHJ-SJORKVTESA-N 2 0 369.554 0.221 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419110409 489859102 /nfs/dbraw/zinc/85/91/02/489859102.db2.gz NWSDMFQHYPWENY-TZMCWYRMSA-N 2 0 350.438 0.699 20 0 FCADRP CC(C)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)Nc1cc[nH]n1 ZINC000433112777 489866823 /nfs/dbraw/zinc/86/68/23/489866823.db2.gz ALHJUPPDKTUITI-HNNXBMFYSA-N 2 0 364.494 1.082 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000433132368 489867438 /nfs/dbraw/zinc/86/74/38/489867438.db2.gz XECMWYQDRMDFFW-UHFFFAOYSA-N 2 0 368.503 0.284 20 0 FCADRP CS(=O)(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433122674 489867586 /nfs/dbraw/zinc/86/75/86/489867586.db2.gz RHORRTHCQRLXHS-UHFFFAOYSA-N 2 0 353.488 0.910 20 0 FCADRP NC(=O)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Cc1ccc(F)cc1 ZINC000433139635 489868022 /nfs/dbraw/zinc/86/80/22/489868022.db2.gz BTFRFBMMIDUKDS-HNNXBMFYSA-N 2 0 364.465 0.789 20 0 FCADRP COc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1-n1cnnn1 ZINC000433142960 489868450 /nfs/dbraw/zinc/86/84/50/489868450.db2.gz WRVGGVXUXBDCIG-UHFFFAOYSA-N 2 0 359.434 0.813 20 0 FCADRP COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433141760 489869200 /nfs/dbraw/zinc/86/92/00/489869200.db2.gz BFWDGZWWVPBUGR-CVEARBPZSA-N 2 0 368.522 0.579 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166969 489869949 /nfs/dbraw/zinc/86/99/49/489869949.db2.gz YYMBTXXRYDSTGT-KRWDZBQOSA-N 3 0 353.555 0.580 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419982267 489872367 /nfs/dbraw/zinc/87/23/67/489872367.db2.gz BCKZWMBXOVWDJJ-BZUAXINKSA-N 2 0 368.522 0.578 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nnnn1C1CCOCC1 ZINC000433277457 489875068 /nfs/dbraw/zinc/87/50/68/489875068.db2.gz XWCNBBOUZUCIJU-UHFFFAOYSA-N 2 0 351.499 0.482 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000433333331 489876805 /nfs/dbraw/zinc/87/68/05/489876805.db2.gz GFPBCKCRVYCUHB-INIZCTEOSA-N 2 0 356.511 0.491 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000420003603 489878413 /nfs/dbraw/zinc/87/84/13/489878413.db2.gz TVFFUURMZFUZRK-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCCN1CC1CCC1 ZINC000377313879 489883565 /nfs/dbraw/zinc/88/35/65/489883565.db2.gz AATXGABELNXJKD-FUHWJXTLSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433451477 489885460 /nfs/dbraw/zinc/88/54/60/489885460.db2.gz CAQLYIFDMBDPRY-IAGOWNOFSA-N 2 0 370.538 0.974 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420031620 489887248 /nfs/dbraw/zinc/88/72/48/489887248.db2.gz HKAWPNWRGRTINR-HIFRSBDPSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433516125 489889869 /nfs/dbraw/zinc/88/98/69/489889869.db2.gz NEPVIWXUNRNIFO-HNNXBMFYSA-N 2 0 352.483 1.067 20 0 FCADRP 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[C@H]1C ZINC000420047033 489892842 /nfs/dbraw/zinc/89/28/42/489892842.db2.gz VWHQYEQZHBQIIZ-KBXIAJHMSA-N 2 0 354.495 0.547 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420047127 489892939 /nfs/dbraw/zinc/89/29/39/489892939.db2.gz WBWVALRSZBQJFP-SOUVJXGZSA-N 2 0 352.479 0.302 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000420058064 489896422 /nfs/dbraw/zinc/89/64/22/489896422.db2.gz DTERSGAQZWVYMP-IAGOWNOFSA-N 2 0 350.507 0.810 20 0 FCADRP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420060791 489897920 /nfs/dbraw/zinc/89/79/20/489897920.db2.gz KUJYZFSTJCSRKU-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000420065160 489899924 /nfs/dbraw/zinc/89/99/24/489899924.db2.gz XDEBUAHCOBXESQ-UHFFFAOYSA-N 2 0 350.463 0.439 20 0 FCADRP CCC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000433853831 489902890 /nfs/dbraw/zinc/90/28/90/489902890.db2.gz MEGFNTFPPQJBJY-UHFFFAOYSA-N 2 0 360.506 0.979 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420080876 489905019 /nfs/dbraw/zinc/90/50/19/489905019.db2.gz HIJMBPQFEIJKJZ-KRWDZBQOSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420080861 489905707 /nfs/dbraw/zinc/90/57/07/489905707.db2.gz HFSMIERICLNAEY-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000420106037 489913896 /nfs/dbraw/zinc/91/38/96/489913896.db2.gz REYWDMPLDFIFQO-LPHOPBHVSA-N 2 0 366.506 0.063 20 0 FCADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420109202 489915343 /nfs/dbraw/zinc/91/53/43/489915343.db2.gz ANDKGSWXDFCCKR-ILXRZTDVSA-N 2 0 354.495 0.058 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420110105 489915484 /nfs/dbraw/zinc/91/54/84/489915484.db2.gz VSVNEAINKVACHH-SFHVURJKSA-N 2 0 350.463 0.676 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420128861 489922467 /nfs/dbraw/zinc/92/24/67/489922467.db2.gz UHOOZGDJWDAJEV-OAHLLOKOSA-N 2 0 355.527 0.105 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)C2)CC1 ZINC000420131084 489923533 /nfs/dbraw/zinc/92/35/33/489923533.db2.gz QXBOQTWGONNEAF-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576192 489924543 /nfs/dbraw/zinc/92/45/43/489924543.db2.gz AIMIIUIIRBVILA-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000420135779 489925658 /nfs/dbraw/zinc/92/56/58/489925658.db2.gz VRCNJFPDWSQKGX-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420147823 489931156 /nfs/dbraw/zinc/93/11/56/489931156.db2.gz SWMVLVPBWIPCKC-DOTOQJQBSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000477029244 489933391 /nfs/dbraw/zinc/93/33/91/489933391.db2.gz QYYLITJHDUJRRM-HOTGVXAUSA-N 2 0 368.522 0.545 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC000495314773 489935161 /nfs/dbraw/zinc/93/51/61/489935161.db2.gz NZZVMGNTSUDNAW-AWEZNQCLSA-N 2 0 360.449 0.667 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420173068 489939689 /nfs/dbraw/zinc/93/96/89/489939689.db2.gz WJBATKOJNNPQQJ-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172896 489940027 /nfs/dbraw/zinc/94/00/27/489940027.db2.gz WHNMRMBGGNTYQH-HOTGVXAUSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420197160 489948797 /nfs/dbraw/zinc/94/87/97/489948797.db2.gz LIJYKHKDFWNYLW-ZFWWWQNUSA-N 2 0 352.504 0.882 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420201971 489950024 /nfs/dbraw/zinc/95/00/24/489950024.db2.gz NQWTUURJNRHJCX-WBVHZDCISA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000420201474 489950043 /nfs/dbraw/zinc/95/00/43/489950043.db2.gz FIDLIYWSKBXEGA-BPKGMFCQSA-N 2 0 366.506 0.106 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377734740 489950346 /nfs/dbraw/zinc/95/03/46/489950346.db2.gz OQTUPUZOSLQPCD-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCCC1 ZINC000420200780 489950536 /nfs/dbraw/zinc/95/05/36/489950536.db2.gz GOKRJWVPNUEVSE-YYIAUSFCSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)C1 ZINC000420203487 489950972 /nfs/dbraw/zinc/95/09/72/489950972.db2.gz OJIHJCUERBSNBS-CABCVRRESA-N 2 0 364.515 0.678 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420206596 489952249 /nfs/dbraw/zinc/95/22/49/489952249.db2.gz WGVVLUIYARNOKE-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000420210430 489953870 /nfs/dbraw/zinc/95/38/70/489953870.db2.gz HBAGCSGRCXHPFA-HZPDHXFCSA-N 2 0 366.437 0.039 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420215126 489954843 /nfs/dbraw/zinc/95/48/43/489954843.db2.gz RWHACKOJGMQHKV-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000377802005 489959975 /nfs/dbraw/zinc/95/99/75/489959975.db2.gz DQRYYJFYSFOJKU-XWTMOSNGSA-N 2 0 353.507 0.912 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000420329860 489963389 /nfs/dbraw/zinc/96/33/89/489963389.db2.gz PFDSOHBSKAAIKE-WBVHZDCISA-N 2 0 352.479 0.973 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000420327516 489963807 /nfs/dbraw/zinc/96/38/07/489963807.db2.gz GMWXNTSRCXICOV-VXNCWWDNSA-N 2 0 351.491 0.985 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000420373300 489968339 /nfs/dbraw/zinc/96/83/39/489968339.db2.gz GAEANMIKSNDTRC-SZMVWBNQSA-N 2 0 352.523 0.757 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420367864 489968581 /nfs/dbraw/zinc/96/85/81/489968581.db2.gz AFHVEKPMWCTJFA-YPMHNXCESA-N 2 0 366.384 0.593 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420367860 489968782 /nfs/dbraw/zinc/96/87/82/489968782.db2.gz AFHVEKPMWCTJFA-DGCLKSJQSA-N 2 0 366.384 0.593 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000420409002 489972661 /nfs/dbraw/zinc/97/26/61/489972661.db2.gz VCPULKJJDTXMCB-ZWKOTPCHSA-N 2 0 360.502 0.849 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000477593574 489974908 /nfs/dbraw/zinc/97/49/08/489974908.db2.gz RYMZGHJROYSMAT-UHFFFAOYSA-N 2 0 355.504 0.731 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000477615577 489977294 /nfs/dbraw/zinc/97/72/94/489977294.db2.gz LZSCLTOHWGVAPF-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477639160 489980142 /nfs/dbraw/zinc/98/01/42/489980142.db2.gz DVWDIJHYJAIKGX-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP O=C(NCC[NH+]1CC=CCC1)C1(C(=O)NCC[N@H+]2CC=CCC2)CCC1 ZINC000477629473 489980222 /nfs/dbraw/zinc/98/02/22/489980222.db2.gz TWPQQJSNRMHGHF-UHFFFAOYSA-N 2 0 360.502 0.913 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000477726541 489987999 /nfs/dbraw/zinc/98/79/99/489987999.db2.gz YBXOODNLCGVHNC-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000435240230 489991632 /nfs/dbraw/zinc/99/16/32/489991632.db2.gz NIMBZGZXDUGUFW-GOSISDBHSA-N 2 0 364.534 0.964 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003120 489994186 /nfs/dbraw/zinc/99/41/86/489994186.db2.gz LYUKMSMEEGQRPL-CQSZACIVSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCOCC[NH+](C)C)([NH+](C)C)C1 ZINC000478013387 490000051 /nfs/dbraw/zinc/00/00/51/490000051.db2.gz CVMVLJNTBLZVDV-CRAIPNDOSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCOCC[NH+](C)C)([NH+](C)C)C1 ZINC000478013388 490000103 /nfs/dbraw/zinc/00/01/03/490000103.db2.gz CVMVLJNTBLZVDV-MAUKXSAKSA-N 2 0 356.511 0.308 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443057333 490065566 /nfs/dbraw/zinc/06/55/66/490065566.db2.gz GHYSOZDHKZKMFV-HNNXBMFYSA-N 2 0 362.540 0.224 20 0 FCADRP COC(=O)C1=C(C)O[C@@H](CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482454 490071317 /nfs/dbraw/zinc/07/13/17/490071317.db2.gz MENMHALUHPJRLV-GDBMZVCRSA-N 2 0 351.447 0.636 20 0 FCADRP COCC1(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC[NH2+]CC1 ZINC000479184577 490071933 /nfs/dbraw/zinc/07/19/33/490071933.db2.gz IEQNQBASHRWLTP-UHFFFAOYSA-N 2 0 366.506 0.063 20 0 FCADRP COCC1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000479201456 490073305 /nfs/dbraw/zinc/07/33/05/490073305.db2.gz GMMLWYCORWZSIT-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953602 490073757 /nfs/dbraw/zinc/07/37/57/490073757.db2.gz PFGXETMDNCNXFM-IAGOWNOFSA-N 2 0 367.538 0.851 20 0 FCADRP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000571310022 491299407 /nfs/dbraw/zinc/29/94/07/491299407.db2.gz POJLGHJIWVMGDU-HUUCEWRRSA-N 2 0 362.526 0.396 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000520216891 490116977 /nfs/dbraw/zinc/11/69/77/490116977.db2.gz TULHLNIUYZLRTA-MSOLQXFVSA-N 2 0 358.486 0.569 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000390953733 490138999 /nfs/dbraw/zinc/13/89/99/490138999.db2.gz TYTLOGGJJKWVRF-QGZVFWFLSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206282 491302853 /nfs/dbraw/zinc/30/28/53/491302853.db2.gz KPVHDOFIVGXRDC-WMLDXEAASA-N 2 0 356.536 0.531 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000465951606 490156358 /nfs/dbraw/zinc/15/63/58/490156358.db2.gz NUGNOUBKNDEWBF-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548748 490160405 /nfs/dbraw/zinc/16/04/05/490160405.db2.gz OQBMPWGFOFTFRY-OLZOCXBDSA-N 2 0 351.417 0.558 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000422131637 490180922 /nfs/dbraw/zinc/18/09/22/490180922.db2.gz HHCHQSXQHMRLJW-QGZVFWFLSA-N 2 0 366.506 0.110 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000520726514 490183236 /nfs/dbraw/zinc/18/32/36/490183236.db2.gz UMXYTEITIFIILN-QZTJIDSGSA-N 2 0 366.554 0.044 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603725 490216185 /nfs/dbraw/zinc/21/61/85/490216185.db2.gz APVUMJYAYKPYEQ-HKUYNNGSSA-N 2 0 354.539 0.877 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507421198 490220396 /nfs/dbraw/zinc/22/03/96/490220396.db2.gz DHPMBGMLXIGOGJ-ZDUSSCGKSA-N 2 0 369.510 0.389 20 0 FCADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000497919598 490232408 /nfs/dbraw/zinc/23/24/08/490232408.db2.gz OZOSQJNSOHCIOT-HZPDHXFCSA-N 2 0 359.536 0.863 20 0 FCADRP [NH3+]CCN(CCO)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000466977989 490234800 /nfs/dbraw/zinc/23/48/00/490234800.db2.gz CDYFTIIUXWUVJR-UHFFFAOYSA-N 2 0 370.497 0.737 20 0 FCADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507836565 490269224 /nfs/dbraw/zinc/26/92/24/490269224.db2.gz GBYUHWBOKSKEPB-LJQANCHMSA-N 2 0 364.534 0.727 20 0 FCADRP OC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](CO)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000447909818 490290513 /nfs/dbraw/zinc/29/05/13/490290513.db2.gz DRVANTSPFNWZLP-IYWMVGAKSA-N 2 0 364.486 0.946 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093982 490298171 /nfs/dbraw/zinc/29/81/71/490298171.db2.gz FKDQDUVSDFDLAS-OAHLLOKOSA-N 2 0 350.463 0.884 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000521844779 490301724 /nfs/dbraw/zinc/30/17/24/490301724.db2.gz DRIVEUBACTWRPE-GASCZTMLSA-N 2 0 366.531 0.142 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000483333301 490308592 /nfs/dbraw/zinc/30/85/92/490308592.db2.gz LLCRLLIFHUMBJI-ZACQAIPSSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000483383385 490311773 /nfs/dbraw/zinc/31/17/73/490311773.db2.gz SJJWMACAPQGDLY-VQHPVUNQSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)CCSCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000498633372 490320062 /nfs/dbraw/zinc/32/00/62/490320062.db2.gz DFHQSFRFRKLMHJ-HZPDHXFCSA-N 2 0 370.563 0.921 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467696985 490331521 /nfs/dbraw/zinc/33/15/21/490331521.db2.gz XBJYTCRYALIBLK-GOOCMWNKSA-N 2 0 351.491 0.807 20 0 FCADRP O=C(NCCN1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534268572 490339031 /nfs/dbraw/zinc/33/90/31/490339031.db2.gz BWDLIBYBGMWAOO-LJQANCHMSA-N 2 0 357.502 0.315 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000483819345 490347266 /nfs/dbraw/zinc/34/72/66/490347266.db2.gz MWSKIMKIQJVDHI-MRXNPFEDSA-N 2 0 356.511 0.849 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000564668287 491319591 /nfs/dbraw/zinc/31/95/91/491319591.db2.gz RPNVOYACEXTHIP-UHFFFAOYSA-N 2 0 351.451 0.495 20 0 FCADRP CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000522186840 490351639 /nfs/dbraw/zinc/35/16/39/490351639.db2.gz AQDRGXAIDXIQIU-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000498857594 490354618 /nfs/dbraw/zinc/35/46/18/490354618.db2.gz RFGSGMUVEFBLRB-SFHVURJKSA-N 2 0 362.518 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000422488599 490355129 /nfs/dbraw/zinc/35/51/29/490355129.db2.gz KLJPAZMQVBZIRT-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000498870129 490359360 /nfs/dbraw/zinc/35/93/60/490359360.db2.gz AXEISHOLQQGTHO-UHFFFAOYSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422494008 490359619 /nfs/dbraw/zinc/35/96/19/490359619.db2.gz ZINUSWMMFXYSAH-BBWFWOEESA-N 2 0 368.522 0.450 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000498935394 490365773 /nfs/dbraw/zinc/36/57/73/490365773.db2.gz FENYWHBNNXMSBU-QGZVFWFLSA-N 2 0 366.506 0.372 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000522309424 490369962 /nfs/dbraw/zinc/36/99/62/490369962.db2.gz NCUGTBZCLNSMNQ-GOEBONIOSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000484111223 490385794 /nfs/dbraw/zinc/38/57/94/490385794.db2.gz KVLQSKVAZHLKPC-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000468317214 490385774 /nfs/dbraw/zinc/38/57/74/490385774.db2.gz HJAXZKMWSVLQOV-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000484161863 490391027 /nfs/dbraw/zinc/39/10/27/490391027.db2.gz MWEILJZGJMMXMV-WBVHZDCISA-N 2 0 368.522 0.281 20 0 FCADRP COc1nccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000449122360 490402778 /nfs/dbraw/zinc/40/27/78/490402778.db2.gz LAGIWGYPFZYREB-UHFFFAOYSA-N 2 0 357.462 0.967 20 0 FCADRP C[C@H]1[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000449827026 490430265 /nfs/dbraw/zinc/43/02/65/490430265.db2.gz GXIBRWVQAMIRKY-CWQOZTLDSA-N 2 0 360.502 0.482 20 0 FCADRP CC1[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449820093 490430893 /nfs/dbraw/zinc/43/08/93/490430893.db2.gz UAZDKINKLGCIFI-DTTOXWODSA-N 2 0 360.502 0.574 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)CC1=O ZINC000509636964 490445603 /nfs/dbraw/zinc/44/56/03/490445603.db2.gz VALJLQDTSQNJBB-YLFCFFPRSA-N 2 0 350.507 0.870 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523207879 490448588 /nfs/dbraw/zinc/44/85/88/490448588.db2.gz BWJGWVRPRHELEC-QGZVFWFLSA-N 2 0 367.538 0.912 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nn1 ZINC000564796503 491327049 /nfs/dbraw/zinc/32/70/49/491327049.db2.gz MLPOPRZIRLGVAL-KRWDZBQOSA-N 2 0 356.474 0.921 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210431 490449899 /nfs/dbraw/zinc/44/98/99/490449899.db2.gz ZEQABIPVQIVJFW-SJORKVTESA-N 2 0 367.538 0.959 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)C1(C)C ZINC000564795605 491327177 /nfs/dbraw/zinc/32/71/77/491327177.db2.gz GSAKEXLQSJBVEH-BEFAXECRSA-N 2 0 369.506 0.910 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1C[NH+](C)C ZINC000411421412 490456099 /nfs/dbraw/zinc/45/60/99/490456099.db2.gz KIHXAFSYUMQJHI-UHFFFAOYSA-N 2 0 350.463 0.690 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000509739907 490459351 /nfs/dbraw/zinc/45/93/51/490459351.db2.gz WTBNCDZUMCDHCY-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428882 490463119 /nfs/dbraw/zinc/46/31/19/490463119.db2.gz ADGXFWYAXHBDPW-HZPDHXFCSA-N 2 0 353.511 0.746 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000422720868 490465184 /nfs/dbraw/zinc/46/51/84/490465184.db2.gz UASMZFGFZXANGP-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(C)(C)C ZINC000523469620 490468076 /nfs/dbraw/zinc/46/80/76/490468076.db2.gz AJDNBEAVRWGNEM-GJZGRUSLSA-N 2 0 355.527 0.992 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746096 490468821 /nfs/dbraw/zinc/46/88/21/490468821.db2.gz VYWIRRLMIOYOSS-CVEARBPZSA-N 3 0 368.522 0.485 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)CC[NH2+]CC1 ZINC000422848834 490484289 /nfs/dbraw/zinc/48/42/89/490484289.db2.gz KOZXXQBQJZWGJE-JKSUJKDBSA-N 2 0 369.506 0.781 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846245 490485220 /nfs/dbraw/zinc/48/52/20/490485220.db2.gz FEPIQQFWRBHWFS-HUUCEWRRSA-N 2 0 355.479 0.535 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440303 490485391 /nfs/dbraw/zinc/48/53/91/490485391.db2.gz KEYVGTDBZUAWGA-NQIIRXRSSA-N 2 0 374.529 0.766 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000564842441 491330415 /nfs/dbraw/zinc/33/04/15/491330415.db2.gz HIIJGEJXDPBHQM-YESZJQIVSA-N 2 0 364.494 0.213 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000523750868 490492696 /nfs/dbraw/zinc/49/26/96/490492696.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 0 369.554 0.668 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000571828264 491331707 /nfs/dbraw/zinc/33/17/07/491331707.db2.gz MXGNHKCHIZURGO-HNNXBMFYSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1F ZINC000422982968 490511218 /nfs/dbraw/zinc/51/12/18/490511218.db2.gz RWGPHWZTYWNJFV-UHFFFAOYSA-N 2 0 362.449 0.858 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500450776 490517945 /nfs/dbraw/zinc/51/79/45/490517945.db2.gz WSUCCJOCLSCUMY-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473655 490520432 /nfs/dbraw/zinc/52/04/32/490520432.db2.gz RCQYMZXRMWIKFL-IEBWSBKVSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510807369 490541167 /nfs/dbraw/zinc/54/11/67/490541167.db2.gz BOCLPQJNFPJYOD-IAGOWNOFSA-N 2 0 360.568 0.853 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C[C@@H]21 ZINC000571873089 491334553 /nfs/dbraw/zinc/33/45/53/491334553.db2.gz CQHVFZUNWQJEDU-BDXSIMOUSA-N 2 0 356.470 0.350 20 0 FCADRP O=C1COc2ccc(C[NH2+]CCCC[NH+]3CCN(CCO)CC3)cc2N1 ZINC000511080741 490559887 /nfs/dbraw/zinc/55/98/87/490559887.db2.gz KADZBLNBSWOAPY-UHFFFAOYSA-N 2 0 362.474 0.497 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485818997 490561103 /nfs/dbraw/zinc/56/11/03/490561103.db2.gz RFRXMSIQNVFCDQ-CQSZACIVSA-N 2 0 364.494 0.822 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214938 490571633 /nfs/dbraw/zinc/57/16/33/490571633.db2.gz GLRNUUWVVNMQBV-NVXWUHKLSA-N 2 0 365.522 0.879 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538262 490589273 /nfs/dbraw/zinc/58/92/73/490589273.db2.gz BSGVIAFYRLQGQO-WOJBJXKFSA-N 2 0 371.529 0.481 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)CC1=O ZINC000501341239 490597699 /nfs/dbraw/zinc/59/76/99/490597699.db2.gz OSGZQTUBEWMONP-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)CC1=O ZINC000501341237 490597741 /nfs/dbraw/zinc/59/77/41/490597741.db2.gz OSGZQTUBEWMONP-HOTGVXAUSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688398 490620153 /nfs/dbraw/zinc/62/01/53/490620153.db2.gz BZLAYWPLYQOGNW-JKSUJKDBSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815066 490636899 /nfs/dbraw/zinc/63/68/99/490636899.db2.gz FOOFZCPSOMHQNA-HOTGVXAUSA-N 2 0 353.511 0.603 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000550362389 490664951 /nfs/dbraw/zinc/66/49/51/490664951.db2.gz NQWQDTZUTLJPHH-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000502027820 490668958 /nfs/dbraw/zinc/66/89/58/490668958.db2.gz AYISUUJGCOWBEK-CQSZACIVSA-N 2 0 353.488 0.846 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[N@H+](C)C1CC1 ZINC000572037386 491344615 /nfs/dbraw/zinc/34/46/15/491344615.db2.gz GKGWKVMRQGGEIQ-XOKHGSTOSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCN(C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486989801 490685217 /nfs/dbraw/zinc/68/52/17/490685217.db2.gz NLTWVNNVWFHGSY-WCXIOVBPSA-N 2 0 352.523 0.737 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000572055622 491345878 /nfs/dbraw/zinc/34/58/78/491345878.db2.gz KVWVHVOYYWXVDJ-MRXNPFEDSA-N 2 0 368.547 0.436 20 0 FCADRP C[C@H](O)CN1CCN(C(=O)c2cc3c(ncnc3N(C)C)n2C)[C@@H](C)C1 ZINC000527004276 490691378 /nfs/dbraw/zinc/69/13/78/490691378.db2.gz JGOCBMMSRWFOPR-STQMWFEESA-N 2 0 360.462 0.561 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168943 490699531 /nfs/dbraw/zinc/69/95/31/490699531.db2.gz WRYFIMVIGIQNJD-CJNGLKHVSA-N 2 0 368.503 0.663 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C(C)(C)C)n1 ZINC000527124030 490701540 /nfs/dbraw/zinc/70/15/40/490701540.db2.gz CXTAFSVOTBSQJS-UHFFFAOYSA-N 2 0 366.510 0.837 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000572096621 491348412 /nfs/dbraw/zinc/34/84/12/491348412.db2.gz QOCDBNRNLFCTST-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000502795964 490721952 /nfs/dbraw/zinc/72/19/52/490721952.db2.gz NAOMEEQSVVCDQL-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP CC(=O)N1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000487730387 490727715 /nfs/dbraw/zinc/72/77/15/490727715.db2.gz NTEXSKBAEVJESP-QGZVFWFLSA-N 2 0 359.474 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000488073955 490744597 /nfs/dbraw/zinc/74/45/97/490744597.db2.gz MMAWZBDMDNTBMP-ROUUACIJSA-N 2 0 354.539 0.731 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527767712 490758658 /nfs/dbraw/zinc/75/86/58/490758658.db2.gz WMABZAYNHSGQLO-KRWDZBQOSA-N 2 0 368.522 0.994 20 0 FCADRP C[C@H]1COCCN1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557116717 491354081 /nfs/dbraw/zinc/35/40/81/491354081.db2.gz BLSFBCVWQZUBMX-KRWDZBQOSA-N 2 0 368.522 0.851 20 0 FCADRP CC[NH+](CC)CCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000514673497 490780855 /nfs/dbraw/zinc/78/08/55/490780855.db2.gz FOHKMNDCQGIUMR-MRXNPFEDSA-N 2 0 359.536 0.734 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H]1c1ccccc1F ZINC000514725561 490784523 /nfs/dbraw/zinc/78/45/23/490784523.db2.gz MZKVDFNQJYJHBX-DUVNUKRYSA-N 2 0 358.421 0.736 20 0 FCADRP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850470 490793095 /nfs/dbraw/zinc/79/30/95/490793095.db2.gz NESFJKPPUPVIQO-NVXWUHKLSA-N 2 0 362.518 0.968 20 0 FCADRP COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000514856303 490793544 /nfs/dbraw/zinc/79/35/44/490793544.db2.gz CKCRMZFSIXOHOR-WMZOPIPTSA-N 2 0 351.491 0.798 20 0 FCADRP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000514977689 490801317 /nfs/dbraw/zinc/80/13/17/490801317.db2.gz ZNIDKNRMRGCDHX-INIZCTEOSA-N 2 0 365.478 0.322 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000515310049 490817128 /nfs/dbraw/zinc/81/71/28/490817128.db2.gz LPLHDTWLAVJEOW-MSOLQXFVSA-N 2 0 363.506 0.942 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000557168639 491357772 /nfs/dbraw/zinc/35/77/72/491357772.db2.gz GWXPCCKPSJZVLT-UTKZUKDTSA-N 2 0 370.497 0.588 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000515528193 490831020 /nfs/dbraw/zinc/83/10/20/490831020.db2.gz PLAUSKYJPUKKOL-DLBZAZTESA-N 2 0 366.506 0.300 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[NH+](C)CC1 ZINC000572301299 491361239 /nfs/dbraw/zinc/36/12/39/491361239.db2.gz AULPDKLKBVXWPZ-DOTOQJQBSA-N 2 0 354.564 0.956 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)ccn2)CC1 ZINC000529283877 490847385 /nfs/dbraw/zinc/84/73/85/490847385.db2.gz BPXZUHPFMKFBRE-INIZCTEOSA-N 2 0 358.490 0.917 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000529308943 490849438 /nfs/dbraw/zinc/84/94/38/490849438.db2.gz WYZPVEFJEIVCAQ-INIZCTEOSA-N 2 0 353.511 0.569 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC3)c2)C1 ZINC000506114748 490851080 /nfs/dbraw/zinc/85/10/80/490851080.db2.gz UVLXSDALLIJTJW-GOSISDBHSA-N 2 0 373.501 0.889 20 0 FCADRP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)CC2)c1 ZINC000516297765 490860031 /nfs/dbraw/zinc/86/00/31/490860031.db2.gz MSZTYZRXCAZRGK-HXUWFJFHSA-N 2 0 371.529 0.623 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516470374 490864495 /nfs/dbraw/zinc/86/44/95/490864495.db2.gz QBKOSMKGKNRLNP-HZPDHXFCSA-N 2 0 361.490 0.752 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000557336415 491368604 /nfs/dbraw/zinc/36/86/04/491368604.db2.gz RPQURTIDYIKYNW-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)no1 ZINC000516863269 490881447 /nfs/dbraw/zinc/88/14/47/490881447.db2.gz YSWCQBBQHWHRNQ-UHFFFAOYSA-N 2 0 365.478 0.698 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC000572274721 491359919 /nfs/dbraw/zinc/35/99/19/491359919.db2.gz LMNCHZOZNRMDDN-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530238428 490895310 /nfs/dbraw/zinc/89/53/10/490895310.db2.gz AEJCRHNCKPIOFJ-MSOLQXFVSA-N 2 0 366.506 0.204 20 0 FCADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000517553614 490911354 /nfs/dbraw/zinc/91/13/54/490911354.db2.gz CVMAQSOPVJGSGH-CYBMUJFWSA-N 2 0 364.446 0.442 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1cccc(F)c1 ZINC000517758654 490920302 /nfs/dbraw/zinc/92/03/02/490920302.db2.gz AYRQDMJWDOAYTI-ARFHVFGLSA-N 2 0 363.437 0.382 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966303 490926496 /nfs/dbraw/zinc/92/64/96/490926496.db2.gz VXZGMGHKEJAHLC-MSOLQXFVSA-N 2 0 371.485 0.388 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000530880704 490929776 /nfs/dbraw/zinc/92/97/76/490929776.db2.gz PGRRRKRRZUXYGO-UHFFFAOYSA-N 2 0 355.483 0.049 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218827 490933640 /nfs/dbraw/zinc/93/36/40/490933640.db2.gz MXBKPAAWMIZOSD-BRWVUGGUSA-N 2 0 365.522 0.696 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000557293903 491365465 /nfs/dbraw/zinc/36/54/65/491365465.db2.gz BCLCMTLMORYXDJ-UHFFFAOYSA-N 2 0 358.486 0.318 20 0 FCADRP C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062787 490938798 /nfs/dbraw/zinc/93/87/98/490938798.db2.gz GTKTXEGBFROQIG-NQIIRXRSSA-N 2 0 374.529 0.623 20 0 FCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000518473500 490942773 /nfs/dbraw/zinc/94/27/73/490942773.db2.gz JGWGJQOMTNTKHS-UHFFFAOYSA-N 2 0 374.489 0.515 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@H]12 ZINC000518514678 490943760 /nfs/dbraw/zinc/94/37/60/490943760.db2.gz IMSPEHRJCDAOGC-FZMABENVSA-N 2 0 360.502 0.657 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1=O ZINC000544055510 490956365 /nfs/dbraw/zinc/95/63/65/490956365.db2.gz UEBAKPCKHBLAIV-WBVHZDCISA-N 2 0 367.490 0.583 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000565255358 491366511 /nfs/dbraw/zinc/36/65/11/491366511.db2.gz RRZGZGMFZMQXHO-SJORKVTESA-N 2 0 359.474 0.592 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000519370815 490969913 /nfs/dbraw/zinc/96/99/13/490969913.db2.gz WTACMFDMOBQBAY-QGZVFWFLSA-N 2 0 361.490 0.887 20 0 FCADRP CNC(=O)c1cccc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000565276246 491367527 /nfs/dbraw/zinc/36/75/27/491367527.db2.gz OZSMCKAWQHWACR-UHFFFAOYSA-N 2 0 363.506 0.724 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000544628884 490973944 /nfs/dbraw/zinc/97/39/44/490973944.db2.gz WLDJYTQCDRWJTR-MRXNPFEDSA-N 2 0 350.463 0.815 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532282227 490990278 /nfs/dbraw/zinc/99/02/78/490990278.db2.gz FNYYBCPBIOXBEZ-DLBZAZTESA-N 2 0 368.522 0.462 20 0 FCADRP CSC1(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[NH+](C)CC1 ZINC000569518931 491165845 /nfs/dbraw/zinc/16/58/45/491165845.db2.gz YEYRTICSDFUGGY-MRXNPFEDSA-N 2 0 371.595 0.997 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000562526658 491171655 /nfs/dbraw/zinc/17/16/55/491171655.db2.gz NSBXPFGTINEYTN-NRFANRHFSA-N 2 0 374.529 0.766 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000572509523 491375613 /nfs/dbraw/zinc/37/56/13/491375613.db2.gz NUDCGWQSQCBYRP-CVEARBPZSA-N 2 0 356.511 0.402 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1c1ccccc1F ZINC000565475270 491379121 /nfs/dbraw/zinc/37/91/21/491379121.db2.gz ISLIZTGDYFYAKY-IVMMDQJWSA-N 2 0 358.421 0.909 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000572747763 491391322 /nfs/dbraw/zinc/39/13/22/491391322.db2.gz FLJCCMRUYBXVHL-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000572786188 491393692 /nfs/dbraw/zinc/39/36/92/491393692.db2.gz PTYVBRXPGNVBDO-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742098 491395533 /nfs/dbraw/zinc/39/55/33/491395533.db2.gz JPFZZJRJDMYFAE-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1csc([C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000557805330 491398972 /nfs/dbraw/zinc/39/89/72/491398972.db2.gz PZRJTIGOYFANQV-CYBMUJFWSA-N 2 0 369.535 0.623 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000668360350 493340543 /nfs/dbraw/zinc/34/05/43/493340543.db2.gz ZTVDSAOTZGNHRS-INIZCTEOSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000565968199 491409716 /nfs/dbraw/zinc/40/97/16/491409716.db2.gz CLOPFPOOHFJFQI-HZPDHXFCSA-N 2 0 368.522 0.233 20 0 FCADRP CC[NH+]1CCN(C(=O)C[C@@H](O)CC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000565968196 491409823 /nfs/dbraw/zinc/40/98/23/491409823.db2.gz CLOPFPOOHFJFQI-BJWYYQGGSA-N 2 0 368.522 0.233 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573132130 491414958 /nfs/dbraw/zinc/41/49/58/491414958.db2.gz JHCKLDIBWYBRIU-SJORKVTESA-N 2 0 366.506 0.033 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573202220 491418903 /nfs/dbraw/zinc/41/89/03/491418903.db2.gz QPDPZIXNKQRXOB-ZWKOTPCHSA-N 2 0 358.486 0.932 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000566166858 491421787 /nfs/dbraw/zinc/42/17/87/491421787.db2.gz GILVAUNUXMSJTL-KRWDZBQOSA-N 2 0 359.474 0.241 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000566165960 491421964 /nfs/dbraw/zinc/42/19/64/491421964.db2.gz DAPDCTSPYQGZAJ-QZTJIDSGSA-N 2 0 360.502 0.924 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000566167755 491422438 /nfs/dbraw/zinc/42/24/38/491422438.db2.gz KVJHDFWNJHTFDH-DLBZAZTESA-N 2 0 360.458 0.699 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000566179987 491423434 /nfs/dbraw/zinc/42/34/34/491423434.db2.gz ZCJIIHYZXCRZRZ-SFHVURJKSA-N 2 0 374.485 0.646 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566199449 491424821 /nfs/dbraw/zinc/42/48/21/491424821.db2.gz WYRPVFZFJUZIGB-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000566197815 491424910 /nfs/dbraw/zinc/42/49/10/491424910.db2.gz QOWUUZHDOYMKSI-ZWKOTPCHSA-N 2 0 374.485 0.262 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412997 491429406 /nfs/dbraw/zinc/42/94/06/491429406.db2.gz XCVPNTFKUGYEHE-HOTGVXAUSA-N 2 0 350.507 0.847 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000573397740 491431397 /nfs/dbraw/zinc/43/13/97/491431397.db2.gz SHGYKJPRTVRQDH-UHFFFAOYSA-N 2 0 359.478 0.590 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000566304315 491434061 /nfs/dbraw/zinc/43/40/61/491434061.db2.gz XHGKJBRVHRHPED-GVDBMIGSSA-N 2 0 358.490 0.575 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348242 491438402 /nfs/dbraw/zinc/43/84/02/491438402.db2.gz QZPBJIYWTLKQFN-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000566396676 491441002 /nfs/dbraw/zinc/44/10/02/491441002.db2.gz FDYSPMWLZIVLNH-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000573674891 491447670 /nfs/dbraw/zinc/44/76/70/491447670.db2.gz GUQBWNXKUJQCOI-IRXDYDNUSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000573704836 491449715 /nfs/dbraw/zinc/44/97/15/491449715.db2.gz WGNUMYNAVOXROC-QGZVFWFLSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000559292113 491462212 /nfs/dbraw/zinc/46/22/12/491462212.db2.gz ITYPWQPMRVNEBQ-IKGGRYGDSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000573952740 491465239 /nfs/dbraw/zinc/46/52/39/491465239.db2.gz PWEAVMRODCUVDG-BRWVUGGUSA-N 2 0 350.507 0.907 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559443996 491473932 /nfs/dbraw/zinc/47/39/32/491473932.db2.gz DIOKDJPVXJPWFC-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000559445303 491474103 /nfs/dbraw/zinc/47/41/03/491474103.db2.gz DCZSVFRWSAQIDC-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000574149295 491477173 /nfs/dbraw/zinc/47/71/73/491477173.db2.gz NICSHFYXEFUKFF-CYBMUJFWSA-N 2 0 362.430 0.212 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000574262790 491484605 /nfs/dbraw/zinc/48/46/05/491484605.db2.gz SIWICNWAKOGPQV-KRWDZBQOSA-N 2 0 365.522 0.001 20 0 FCADRP CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484712 /nfs/dbraw/zinc/48/47/12/491484712.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 2 0 361.490 0.038 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398049 491493591 /nfs/dbraw/zinc/49/35/91/491493591.db2.gz ZJHXEBRFBQGVCR-HZPDHXFCSA-N 2 0 363.510 0.034 20 0 FCADRP CN(Cc1ccc(O)cc1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567349783 491501199 /nfs/dbraw/zinc/50/11/99/491501199.db2.gz UFMMISOOSMTIEU-UHFFFAOYSA-N 2 0 350.463 0.302 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574515795 491502156 /nfs/dbraw/zinc/50/21/56/491502156.db2.gz UYWSOYYQBQBCKT-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000567381828 491503162 /nfs/dbraw/zinc/50/31/62/491503162.db2.gz MTFWEHYQPSZVEC-HNNXBMFYSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868017 491507007 /nfs/dbraw/zinc/50/70/07/491507007.db2.gz WZKJZBFNHIEXDI-SUYBPPKGSA-N 2 0 354.520 0.139 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567494192 491510220 /nfs/dbraw/zinc/51/02/20/491510220.db2.gz UEDLOJRVJYPSFE-RDJZCZTQSA-N 2 0 365.474 0.438 20 0 FCADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000574663202 491511956 /nfs/dbraw/zinc/51/19/56/491511956.db2.gz ILSUPGAGJFOZNM-MRXNPFEDSA-N 2 0 360.506 0.854 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C[NH+](C)C ZINC000559973198 491512907 /nfs/dbraw/zinc/51/29/07/491512907.db2.gz MNNHCHABGQXFIJ-CQSZACIVSA-N 2 0 350.463 0.879 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C[NH+]1CCCC1 ZINC000560014422 491514456 /nfs/dbraw/zinc/51/44/56/491514456.db2.gz XZJPCBFEWPCCIQ-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000567575016 491514646 /nfs/dbraw/zinc/51/46/46/491514646.db2.gz ULLIMCLYJQPIPG-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000567594397 491516314 /nfs/dbraw/zinc/51/63/14/491516314.db2.gz TURJDYGKHIQXFJ-MSOLQXFVSA-N 2 0 372.517 0.974 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560027863 491516440 /nfs/dbraw/zinc/51/64/40/491516440.db2.gz MOJZQRSGUUKVGD-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741440 491516940 /nfs/dbraw/zinc/51/69/40/491516940.db2.gz HBWJVTXNALWGAI-SJORKVTESA-N 2 0 353.511 0.032 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804695 491530780 /nfs/dbraw/zinc/53/07/80/491530780.db2.gz URZKLSIBRUZETG-LSDHHAIUSA-N 2 0 350.467 0.025 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981663 491531117 /nfs/dbraw/zinc/53/11/17/491531117.db2.gz YSUAGEOGXLKQGO-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000567835536 491533519 /nfs/dbraw/zinc/53/35/19/491533519.db2.gz VBCFGLCFYNNRKY-FUHWJXTLSA-N 2 0 356.470 0.544 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000560596924 491546536 /nfs/dbraw/zinc/54/65/36/491546536.db2.gz YWTGALVHYWTKMG-YYIAUSFCSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CCCO1 ZINC000575476916 491555261 /nfs/dbraw/zinc/55/52/61/491555261.db2.gz MJLUMXHSYBDLLK-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP COC1CCC(C)(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000575600619 491555670 /nfs/dbraw/zinc/55/56/70/491555670.db2.gz YKDXORJVQMFPDU-UHFFFAOYSA-N 2 0 370.538 0.650 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000575916460 491569620 /nfs/dbraw/zinc/56/96/20/491569620.db2.gz IXWSNIYWECGHMI-FMKPAKJESA-N 2 0 356.488 0.650 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000568372875 491571988 /nfs/dbraw/zinc/57/19/88/491571988.db2.gz BISNLFGODYMZHD-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000576015913 491576404 /nfs/dbraw/zinc/57/64/04/491576404.db2.gz FOMXRPGYELZSTB-XDNAFOTISA-N 2 0 362.518 0.968 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000561224100 491585812 /nfs/dbraw/zinc/58/58/12/491585812.db2.gz KQKHGQQCLJCIDL-BHYGNILZSA-N 2 0 350.438 0.888 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000584396556 491586503 /nfs/dbraw/zinc/58/65/03/491586503.db2.gz RIJFJTWHEGADIX-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000561257113 491590668 /nfs/dbraw/zinc/59/06/68/491590668.db2.gz GUSMZYCJBSGUKV-XJKSGUPXSA-N 2 0 350.438 0.742 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000568609346 491591108 /nfs/dbraw/zinc/59/11/08/491591108.db2.gz QSDKSCURZWPJQO-JKSUJKDBSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000577130386 491593892 /nfs/dbraw/zinc/59/38/92/491593892.db2.gz WYBXZXCSMABINH-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000576233925 491595566 /nfs/dbraw/zinc/59/55/66/491595566.db2.gz OBVVVKIIPYKGFA-OIISXLGYSA-N 2 0 362.518 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635268 491595913 /nfs/dbraw/zinc/59/59/13/491595913.db2.gz XAMGTQYKADOESZ-FRQCXROJSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577163163 491597370 /nfs/dbraw/zinc/59/73/70/491597370.db2.gz YMWOCGHAKYLBEP-MRXNPFEDSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000577171770 491597810 /nfs/dbraw/zinc/59/78/10/491597810.db2.gz GJRYXCHQNMXIDS-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520253 491600187 /nfs/dbraw/zinc/60/01/87/491600187.db2.gz LKKKHMAQMYSETJ-KBPBESRZSA-N 2 0 352.479 0.302 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000577192341 491600491 /nfs/dbraw/zinc/60/04/91/491600491.db2.gz FMLCHWNREGZFDF-AWEZNQCLSA-N 2 0 352.479 0.004 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000561438050 491608425 /nfs/dbraw/zinc/60/84/25/491608425.db2.gz NSSOKIQLWZWMBQ-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000561438045 491608669 /nfs/dbraw/zinc/60/86/69/491608669.db2.gz NSSOKIQLWZWMBQ-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000561450456 491609199 /nfs/dbraw/zinc/60/91/99/491609199.db2.gz LOXUGEYVRUIMNM-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000561487847 491612292 /nfs/dbraw/zinc/61/22/92/491612292.db2.gz BEYSSDABRXTASR-UHFFFAOYSA-N 2 0 368.522 0.140 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)CC1 ZINC000568988881 491624804 /nfs/dbraw/zinc/62/48/04/491624804.db2.gz YFVSWJUHGIJMRZ-AQFXKWCLSA-N 2 0 350.507 0.907 20 0 FCADRP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000576578725 491626246 /nfs/dbraw/zinc/62/62/46/491626246.db2.gz KNSWKCOTZHOYTK-KQRABZDBSA-N 2 0 365.474 0.980 20 0 FCADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745875 491628673 /nfs/dbraw/zinc/62/86/73/491628673.db2.gz CEECOHCXTXZGHS-MWDXBVQZSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554955 491632145 /nfs/dbraw/zinc/63/21/45/491632145.db2.gz NSMQUCCHWVKXKV-CVEARBPZSA-N 2 0 366.506 0.370 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000576663926 491634110 /nfs/dbraw/zinc/63/41/10/491634110.db2.gz NYJJQICALXPLQD-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687308 491636090 /nfs/dbraw/zinc/63/60/90/491636090.db2.gz NPHFXSAZPSYAQL-SJORKVTESA-N 2 0 365.522 0.714 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000577748515 491648843 /nfs/dbraw/zinc/64/88/43/491648843.db2.gz CIUNRHJECCQXPI-HNNXBMFYSA-N 2 0 350.467 0.025 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798400 491652970 /nfs/dbraw/zinc/65/29/70/491652970.db2.gz PCGHDFSDBOKENK-PBHICJAKSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000569344319 491654220 /nfs/dbraw/zinc/65/42/20/491654220.db2.gz FPTUQPJUGYUYAC-DLBZAZTESA-N 2 0 359.474 0.183 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000569356611 491655379 /nfs/dbraw/zinc/65/53/79/491655379.db2.gz HBVSJOKDWDIQJF-CQSZACIVSA-N 2 0 371.445 0.186 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000569357206 491655587 /nfs/dbraw/zinc/65/55/87/491655587.db2.gz ZJYIVCBAUVRQIQ-RDTXWAMCSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763315 491683822 /nfs/dbraw/zinc/68/38/22/491683822.db2.gz TWZGQTXFVIAVRS-ROUUACIJSA-N 2 0 361.486 0.911 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000578769037 491683940 /nfs/dbraw/zinc/68/39/40/491683940.db2.gz IMZPALWTUHELJN-UHFFFAOYSA-N 2 0 365.503 0.999 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000578985428 491688339 /nfs/dbraw/zinc/68/83/39/491688339.db2.gz SQGPRLOUOPZGTO-ZNMIVQPWSA-N 2 0 350.467 0.259 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000578992517 491688535 /nfs/dbraw/zinc/68/85/35/491688535.db2.gz OFZJQCYCXDGTKG-KANFNMMFSA-N 2 0 353.470 0.997 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000579225615 491693460 /nfs/dbraw/zinc/69/34/60/491693460.db2.gz WAGOAGZPMVTNHC-OALUTQOASA-N 2 0 370.497 0.931 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000579225614 491693477 /nfs/dbraw/zinc/69/34/77/491693477.db2.gz WAGOAGZPMVTNHC-MOPGFXCFSA-N 2 0 370.497 0.931 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254196 491694054 /nfs/dbraw/zinc/69/40/54/491694054.db2.gz AKLAGMKDFIASLN-LSDHHAIUSA-N 2 0 355.483 0.597 20 0 FCADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359990 491696380 /nfs/dbraw/zinc/69/63/80/491696380.db2.gz YYNQVNMJMIPGBH-ZWKOTPCHSA-N 2 0 372.517 0.979 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000579453787 491698153 /nfs/dbraw/zinc/69/81/53/491698153.db2.gz UBLKHKSOLIQDST-LMSBXDPUSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000579453789 491698220 /nfs/dbraw/zinc/69/82/20/491698220.db2.gz UBLKHKSOLIQDST-XYVMCAHJSA-N 2 0 362.518 0.966 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000579469194 491698417 /nfs/dbraw/zinc/69/84/17/491698417.db2.gz STSSLWFKGVGNHS-AWEZNQCLSA-N 2 0 364.494 0.649 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000579715224 491703703 /nfs/dbraw/zinc/70/37/03/491703703.db2.gz UIDDBJDJFPIRFA-XHSDSOJGSA-N 2 0 354.495 0.250 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584778590 491714044 /nfs/dbraw/zinc/71/40/44/491714044.db2.gz PNMOVXBXFFCZSZ-YOEHRIQHSA-N 2 0 359.474 0.591 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000584781367 491714163 /nfs/dbraw/zinc/71/41/63/491714163.db2.gz LYJCTPZDLRFISZ-XYJFISCASA-N 2 0 360.502 0.909 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584793679 491714715 /nfs/dbraw/zinc/71/47/15/491714715.db2.gz RLQLKXCOAZFZOH-SPUZQDLCSA-N 2 0 371.485 0.460 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000580054965 491715016 /nfs/dbraw/zinc/71/50/16/491715016.db2.gz VYKSSHJWZXEPBN-LSDHHAIUSA-N 2 0 352.866 0.927 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580294071 491724675 /nfs/dbraw/zinc/72/46/75/491724675.db2.gz QXNLZKFAVCAKRH-QAETUUGQSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000580493560 491733524 /nfs/dbraw/zinc/73/35/24/491733524.db2.gz JXTIKPNXOZGGBN-OAHLLOKOSA-N 2 0 355.527 0.957 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135335 491760768 /nfs/dbraw/zinc/76/07/68/491760768.db2.gz FBVJNVLYGAOXPZ-HOTGVXAUSA-N 2 0 363.510 0.500 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135336 491760955 /nfs/dbraw/zinc/76/09/55/491760955.db2.gz FBVJNVLYGAOXPZ-HZPDHXFCSA-N 2 0 363.510 0.500 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1F ZINC000581203026 491764001 /nfs/dbraw/zinc/76/40/01/491764001.db2.gz ITXPRPMCZCBTPU-GDBMZVCRSA-N 2 0 363.437 0.341 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581500305 491775449 /nfs/dbraw/zinc/77/54/49/491775449.db2.gz MXOUUOGRAIWUSN-RTBURBONSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581597037 491779214 /nfs/dbraw/zinc/77/92/14/491779214.db2.gz XXJOBFVKMYIYMY-QGZVFWFLSA-N 2 0 359.474 0.382 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000581717134 491783946 /nfs/dbraw/zinc/78/39/46/491783946.db2.gz YNWZDUKQKBPKKF-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581895889 491789451 /nfs/dbraw/zinc/78/94/51/491789451.db2.gz RXFGDHHDPZPJNZ-HRCADAONSA-N 2 0 351.495 0.450 20 0 FCADRP O=C(CN1CCC[C@H]1CF)N1CCN(C(=O)CN2CCC[C@H]2CF)CC1 ZINC000582194471 491802159 /nfs/dbraw/zinc/80/21/59/491802159.db2.gz KQUJCUYBLZZKTL-HOTGVXAUSA-N 2 0 372.460 0.525 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582328679 491807820 /nfs/dbraw/zinc/80/78/20/491807820.db2.gz JWCZULRTUNVCFM-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000582653476 491821221 /nfs/dbraw/zinc/82/12/21/491821221.db2.gz DUAVEXWNHJNBBA-OAHLLOKOSA-N 2 0 362.474 0.744 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668815 491821883 /nfs/dbraw/zinc/82/18/83/491821883.db2.gz MFMRLMFENJMCCJ-YALNPMBYSA-N 2 0 363.506 0.606 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000582898151 491831338 /nfs/dbraw/zinc/83/13/38/491831338.db2.gz JIXVKSGNBAURFV-FQEVSTJZSA-N 2 0 362.518 0.623 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583012425 491836082 /nfs/dbraw/zinc/83/60/82/491836082.db2.gz VJTGATKQMKKNSK-UHFFFAOYSA-N 2 0 361.490 0.271 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+](CC)CCO)CC2)CC1 ZINC000583272485 491841487 /nfs/dbraw/zinc/84/14/87/491841487.db2.gz MEUOCJBSAUGXDY-UHFFFAOYSA-N 2 0 354.539 0.613 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000583312205 491842013 /nfs/dbraw/zinc/84/20/13/491842013.db2.gz OABDCXGACUGDST-OWCLPIDISA-N 2 0 351.495 0.452 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000583312202 491842023 /nfs/dbraw/zinc/84/20/23/491842023.db2.gz OABDCXGACUGDST-ARFHVFGLSA-N 2 0 351.495 0.452 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000583452567 491845393 /nfs/dbraw/zinc/84/53/93/491845393.db2.gz PHRBPSKEBBNCJH-MWDXBVQZSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000584110096 491858721 /nfs/dbraw/zinc/85/87/21/491858721.db2.gz PLVSNTUPTPHJJQ-CABCVRRESA-N 2 0 350.467 0.117 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000611642294 491864253 /nfs/dbraw/zinc/86/42/53/491864253.db2.gz WQKJRAIHPMAPOJ-XHSDSOJGSA-N 2 0 350.507 0.964 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263553 491908697 /nfs/dbraw/zinc/90/86/97/491908697.db2.gz FEVRAEHPEKNLKF-SJORKVTESA-N 2 0 372.473 0.251 20 0 FCADRP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337836 491921703 /nfs/dbraw/zinc/92/17/03/491921703.db2.gz LRIKQQNHIHKNFT-IAGOWNOFSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000612484905 491924767 /nfs/dbraw/zinc/92/47/67/491924767.db2.gz IWTLPZINENYPAX-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612541032 491931008 /nfs/dbraw/zinc/93/10/08/491931008.db2.gz BLXURBFBLDAMOV-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546006 491931867 /nfs/dbraw/zinc/93/18/67/491931867.db2.gz OFHGNGSZQMRSIP-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CCn1nccc1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000612825089 491953527 /nfs/dbraw/zinc/95/35/27/491953527.db2.gz AJGOQSZKICMDNU-UHFFFAOYSA-N 2 0 364.494 0.004 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916383 491958493 /nfs/dbraw/zinc/95/84/93/491958493.db2.gz PHRJELISBDALCE-HUUCEWRRSA-N 2 0 361.494 0.318 20 0 FCADRP [NH3+][C@@H](CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612914483 491958601 /nfs/dbraw/zinc/95/86/01/491958601.db2.gz FDKROKQFGWSDBV-GJZGRUSLSA-N 2 0 361.494 0.446 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612929146 491959046 /nfs/dbraw/zinc/95/90/46/491959046.db2.gz IFEGUXXKPQJLJC-SOUVJXGZSA-N 2 0 363.510 0.834 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000602125564 491961688 /nfs/dbraw/zinc/96/16/88/491961688.db2.gz ZCBZHQIWXITCGS-KZNAEPCWSA-N 2 0 350.507 0.477 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652235 492066902 /nfs/dbraw/zinc/06/69/02/492066902.db2.gz VAHDUIHZVASFSD-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000615237611 492080972 /nfs/dbraw/zinc/08/09/72/492080972.db2.gz VGWZRIXSFCAYAL-UHFFFAOYSA-N 2 0 367.450 0.000 20 0 FCADRP CC1C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505121 492092841 /nfs/dbraw/zinc/09/28/41/492092841.db2.gz NSFQQSHJATXNNU-QZTJIDSGSA-N 2 0 364.534 0.689 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)CCSCCC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000609521502 492211347 /nfs/dbraw/zinc/21/13/47/492211347.db2.gz KZLJAQMPTDEMDD-IYBDPMFKSA-N 2 0 370.563 0.636 20 0 FCADRP COC(=O)c1ccccc1CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000611018861 492275072 /nfs/dbraw/zinc/27/50/72/492275072.db2.gz YHZOHVISSMUYLF-UHFFFAOYSA-N 2 0 371.503 0.728 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427501 492292408 /nfs/dbraw/zinc/29/24/08/492292408.db2.gz GYMXOLUDGAEUQZ-RDJZCZTQSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552653 492303452 /nfs/dbraw/zinc/30/34/52/492303452.db2.gz OPORLZAZMMLITI-ZWKOTPCHSA-N 2 0 358.486 0.822 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641778747 492303729 /nfs/dbraw/zinc/30/37/29/492303729.db2.gz XZVBQBYIURPZHU-ZWKOTPCHSA-N 2 0 369.554 0.813 20 0 FCADRP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641784444 492305636 /nfs/dbraw/zinc/30/56/36/492305636.db2.gz SMQUUVWELRHNRS-KRWDZBQOSA-N 2 0 355.527 0.422 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568458 492316126 /nfs/dbraw/zinc/31/61/26/492316126.db2.gz MRQROOCLYSNVFH-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840654 492316451 /nfs/dbraw/zinc/31/64/51/492316451.db2.gz ASBSKHWDSMHZTP-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@H+](C)C1 ZINC000647568839 492317721 /nfs/dbraw/zinc/31/77/21/492317721.db2.gz UXKDFQJJGZIHPN-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505009 492325600 /nfs/dbraw/zinc/32/56/00/492325600.db2.gz RMGOPROLXRQJDP-MRXNPFEDSA-N 2 0 359.474 0.625 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202083 492326223 /nfs/dbraw/zinc/32/62/23/492326223.db2.gz DOVHDKVSJHXZJK-DLBZAZTESA-N 2 0 355.527 0.421 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000641995899 492326846 /nfs/dbraw/zinc/32/68/46/492326846.db2.gz ZEWSTLYOTBWXNN-KZNAEPCWSA-N 2 0 366.554 0.090 20 0 FCADRP CN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000634226736 492327371 /nfs/dbraw/zinc/32/73/71/492327371.db2.gz CZYWDJVDABILSP-SFHVURJKSA-N 2 0 373.501 0.724 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC000627511499 492327651 /nfs/dbraw/zinc/32/76/51/492327651.db2.gz DDAPSMGCZPFEPL-CYBMUJFWSA-N 2 0 366.466 0.231 20 0 FCADRP COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000627513508 492329023 /nfs/dbraw/zinc/32/90/23/492329023.db2.gz HJCUSCLTPRCXCV-UHFFFAOYSA-N 2 0 350.463 0.894 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000642047372 492329412 /nfs/dbraw/zinc/32/94/12/492329412.db2.gz FDQCXAMANHZRRZ-BHYGNILZSA-N 2 0 362.474 0.289 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccs1 ZINC000642080375 492332283 /nfs/dbraw/zinc/33/22/83/492332283.db2.gz QRSUYTUECCGZBC-BFHYXJOUSA-N 2 0 350.488 0.677 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000642096152 492333782 /nfs/dbraw/zinc/33/37/82/492333782.db2.gz HNAPSMOTPLXXQC-DOTOQJQBSA-N 2 0 362.474 0.672 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000620772968 492334665 /nfs/dbraw/zinc/33/46/65/492334665.db2.gz PZTUVIJFPBZTKH-MSOLQXFVSA-N 2 0 358.486 0.787 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642119460 492336751 /nfs/dbraw/zinc/33/67/51/492336751.db2.gz RPCWAYJGDJTONB-BZUAXINKSA-N 2 0 368.522 0.578 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@@H]1c1ccccc1 ZINC000642195274 492339888 /nfs/dbraw/zinc/33/98/88/492339888.db2.gz YAWVUXMUXHJJJG-OWLYRPNTSA-N 2 0 356.470 0.758 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642254037 492345263 /nfs/dbraw/zinc/34/52/63/492345263.db2.gz ZYOBDBGWUPOXPN-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253973 492346057 /nfs/dbraw/zinc/34/60/57/492346057.db2.gz USLSQYKDGBZBTN-FUHWJXTLSA-N 2 0 358.486 0.868 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1F ZINC000642265422 492346494 /nfs/dbraw/zinc/34/64/94/492346494.db2.gz MRYGQZLJEDNHGS-RHSMWYFYSA-N 2 0 362.449 0.714 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000642262562 492347117 /nfs/dbraw/zinc/34/71/17/492347117.db2.gz BFWHTVFCBXIRDX-NJAFHUGGSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330479 492352310 /nfs/dbraw/zinc/35/23/10/492352310.db2.gz MBHYTLPLMJKQHB-QLFBSQMISA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000642489021 492359512 /nfs/dbraw/zinc/35/95/12/492359512.db2.gz VWNZMZXPYCCSJM-GWCFXTLKSA-N 2 0 360.380 0.888 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642537968 492362500 /nfs/dbraw/zinc/36/25/00/492362500.db2.gz MDPFZEBTIZKEES-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640653 492368353 /nfs/dbraw/zinc/36/83/53/492368353.db2.gz FFKRFDSRNZYNEO-DZJNRPSUSA-N 2 0 358.486 0.867 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640690 492368445 /nfs/dbraw/zinc/36/84/45/492368445.db2.gz ISOVKRBOMSCCRY-YDZRNGNQSA-N 2 0 370.497 0.963 20 0 FCADRP O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640873 492369351 /nfs/dbraw/zinc/36/93/51/492369351.db2.gz HWZPKZGUVXSUTP-CEXWTWQISA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642680241 492372545 /nfs/dbraw/zinc/37/25/45/492372545.db2.gz KXPGDRSFAINFAE-RYQLBKOJSA-N 2 0 374.485 0.342 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000642685594 492372561 /nfs/dbraw/zinc/37/25/61/492372561.db2.gz OSLYKVFQIUBBAF-SJLPKXTDSA-N 2 0 374.485 0.454 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000642685667 492372864 /nfs/dbraw/zinc/37/28/64/492372864.db2.gz YFGSYDFQZCCCQL-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000642685013 492372946 /nfs/dbraw/zinc/37/29/46/492372946.db2.gz HFNIHGVUMBMLPL-SOUVJXGZSA-N 2 0 362.474 0.375 20 0 FCADRP c1nc(NCC[N@@H+]2CCCOCC2)cnc1NCC[NH+]1CCCOCC1 ZINC000647879030 492376595 /nfs/dbraw/zinc/37/65/95/492376595.db2.gz LMMIJTGWWCTOHC-UHFFFAOYSA-N 2 0 364.494 0.745 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905664 492380430 /nfs/dbraw/zinc/38/04/30/492380430.db2.gz LLPAOFIXBGDPKV-BDXSIMOUSA-N 2 0 350.507 0.430 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642725988 492381107 /nfs/dbraw/zinc/38/11/07/492381107.db2.gz WDFRWBDAWPOGKA-QAPCUYQASA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(F)cc1 ZINC000642731731 492381586 /nfs/dbraw/zinc/38/15/86/492381586.db2.gz XIECXXCMOBFYTB-IAOVAPTHSA-N 2 0 362.449 0.755 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000642732176 492383232 /nfs/dbraw/zinc/38/32/32/492383232.db2.gz RWDFJJRKVLNFLG-HOCLYGCPSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642750922 492384312 /nfs/dbraw/zinc/38/43/12/492384312.db2.gz XPWVNNGCLNBXFK-HOTGVXAUSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642750507 492385111 /nfs/dbraw/zinc/38/51/11/492385111.db2.gz NNQXRPSBVKZUIX-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642750497 492385341 /nfs/dbraw/zinc/38/53/41/492385341.db2.gz GXRVZYCIMVWQKQ-CVEARBPZSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642759506 492386331 /nfs/dbraw/zinc/38/63/31/492386331.db2.gz FVLRZRLXIMNJEP-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756643 492386672 /nfs/dbraw/zinc/38/66/72/492386672.db2.gz CXBSUFKPSIPVBX-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCSC1 ZINC000642768980 492387435 /nfs/dbraw/zinc/38/74/35/492387435.db2.gz ZZAKQFUCXKEKKK-GOSISDBHSA-N 2 0 368.547 0.532 20 0 FCADRP C[NH+]1CCCN(C(=O)c2cc[nH]c2CC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000635077870 492387760 /nfs/dbraw/zinc/38/77/60/492387760.db2.gz LUAJYYRWQLCSOY-UHFFFAOYSA-N 2 0 361.490 0.499 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975580 492389581 /nfs/dbraw/zinc/38/95/81/492389581.db2.gz CEBPFFZVDNMOCR-QZWWFDLISA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975581 492389599 /nfs/dbraw/zinc/38/95/99/492389599.db2.gz CEBPFFZVDNMOCR-TWMKSMIVSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000642793119 492393141 /nfs/dbraw/zinc/39/31/41/492393141.db2.gz IUMGNJUIMYVLGN-KBPBESRZSA-N 2 0 354.520 0.270 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000642808947 492396825 /nfs/dbraw/zinc/39/68/25/492396825.db2.gz LSAQJKHXACRDEA-RDJZCZTQSA-N 2 0 362.449 0.584 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642892858 492397579 /nfs/dbraw/zinc/39/75/79/492397579.db2.gz XLAWKMJBNIIOQK-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000642895935 492398461 /nfs/dbraw/zinc/39/84/61/492398461.db2.gz YPFIWMQACWNKGI-UHFFFAOYSA-N 2 0 368.522 0.453 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000621650770 492401299 /nfs/dbraw/zinc/40/12/99/492401299.db2.gz CGYNYFIEPLFNPP-AWEZNQCLSA-N 2 0 350.467 0.279 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)C2)CC1 ZINC000642918408 492403817 /nfs/dbraw/zinc/40/38/17/492403817.db2.gz SVSSNWLMDRVWQO-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000642943845 492405680 /nfs/dbraw/zinc/40/56/80/492405680.db2.gz HAHYTJMLRDZMAT-QGZVFWFLSA-N 2 0 359.474 0.754 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000642958551 492406940 /nfs/dbraw/zinc/40/69/40/492406940.db2.gz NTZSJXBDDQVLSI-JYJNAYRXSA-N 2 0 366.506 0.693 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000642960646 492407498 /nfs/dbraw/zinc/40/74/98/492407498.db2.gz QIEYGPMMMUBQJM-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000621781777 492411698 /nfs/dbraw/zinc/41/16/98/492411698.db2.gz IPALKXBFHPJEAG-PXNSSMCTSA-N 2 0 364.534 0.951 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643014617 492414229 /nfs/dbraw/zinc/41/42/29/492414229.db2.gz LYVIAZQJGFFECB-ARFHVFGLSA-N 2 0 357.458 0.235 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000621845394 492425069 /nfs/dbraw/zinc/42/50/69/492425069.db2.gz IRHFUIDQHKSJIY-OXQOHEQNSA-N 2 0 371.485 0.754 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccc(F)cc1 ZINC000621844552 492425196 /nfs/dbraw/zinc/42/51/96/492425196.db2.gz TUFOIDULIJCMHN-IDHHARJASA-N 2 0 362.449 0.884 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccc(F)cc1 ZINC000621844553 492425351 /nfs/dbraw/zinc/42/53/51/492425351.db2.gz TUFOIDULIJCMHN-OGWOLHLISA-N 2 0 362.449 0.884 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000621845160 492425408 /nfs/dbraw/zinc/42/54/08/492425408.db2.gz CPXWIWJSOBTNDD-KXBFYZLASA-N 2 0 364.490 0.087 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000621992152 492438499 /nfs/dbraw/zinc/43/84/99/492438499.db2.gz OAHHWEFAJLLYRS-QGZVFWFLSA-N 2 0 374.485 0.886 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC000622026229 492442596 /nfs/dbraw/zinc/44/25/96/492442596.db2.gz HDBFEPSVICHBLK-DNVCBOLYSA-N 2 0 362.474 0.818 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026537 492442831 /nfs/dbraw/zinc/44/28/31/492442831.db2.gz MDKQKNLZXNNEKI-VQIMIIECSA-N 2 0 350.507 0.905 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622031799 492445654 /nfs/dbraw/zinc/44/56/54/492445654.db2.gz UGVFZJBQSXEAAV-HNAYVOBHSA-N 2 0 362.474 0.900 20 0 FCADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](O)C3)ccc21 ZINC000628106124 492468344 /nfs/dbraw/zinc/46/83/44/492468344.db2.gz XULKCJAGJLMQRN-DOTOQJQBSA-N 2 0 360.458 0.357 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635571791 492475118 /nfs/dbraw/zinc/47/51/18/492475118.db2.gz CRBGQWZPSMLOEX-FUHWJXTLSA-N 2 0 350.507 0.526 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000643478920 492475626 /nfs/dbraw/zinc/47/56/26/492475626.db2.gz QBGVTKXUHZWQRV-UHFFFAOYSA-N 2 0 371.485 0.721 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000643484611 492477810 /nfs/dbraw/zinc/47/78/10/492477810.db2.gz HSVQKVRXXSQMBN-GOSISDBHSA-N 2 0 358.486 0.850 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484270 492478313 /nfs/dbraw/zinc/47/83/13/492478313.db2.gz MIIPZNNZSWQJBQ-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643494169 492481833 /nfs/dbraw/zinc/48/18/33/492481833.db2.gz NHNJDWONXMFXKY-GOEBONIOSA-N 2 0 354.495 0.140 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000643498739 492482400 /nfs/dbraw/zinc/48/24/00/492482400.db2.gz MTJJRZSMCIDZRD-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000643500442 492483105 /nfs/dbraw/zinc/48/31/05/492483105.db2.gz WGDXMEJPKKFXCR-ZWKOTPCHSA-N 2 0 358.486 0.882 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000643502992 492483921 /nfs/dbraw/zinc/48/39/21/492483921.db2.gz XQJOVMMUZKYWSU-JKSUJKDBSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643513590 492486738 /nfs/dbraw/zinc/48/67/38/492486738.db2.gz QYJMDCQGHGEYGW-IRXDYDNUSA-N 2 0 367.538 0.057 20 0 FCADRP NC(=O)C1CC[NH+](CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911980 492486825 /nfs/dbraw/zinc/48/68/25/492486825.db2.gz QBGHQANUPLSRGY-LLVKDONJSA-N 2 0 353.389 0.153 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCO1 ZINC000643516172 492487033 /nfs/dbraw/zinc/48/70/33/492487033.db2.gz WMXAZCSMGVIKJQ-MNAZLIDISA-N 2 0 366.506 0.284 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000643515277 492487329 /nfs/dbraw/zinc/48/73/29/492487329.db2.gz AYAOVAAPPMRXST-DLBZAZTESA-N 2 0 366.506 0.143 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643530753 492491289 /nfs/dbraw/zinc/49/12/89/492491289.db2.gz OIERQEORPOYMDF-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643531924 492492045 /nfs/dbraw/zinc/49/20/45/492492045.db2.gz WYUWGYRYSXGOBH-IPMKNSEASA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643540881 492494800 /nfs/dbraw/zinc/49/48/00/492494800.db2.gz DLAFQIXSERNFFU-QRQLOZEOSA-N 2 0 370.497 0.787 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)[C@@H]2C1 ZINC000643549991 492497811 /nfs/dbraw/zinc/49/78/11/492497811.db2.gz OAHYACVRLAZESH-OIISXLGYSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000643553491 492498056 /nfs/dbraw/zinc/49/80/56/492498056.db2.gz CHFIIAVFEGPMOQ-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643549935 492498001 /nfs/dbraw/zinc/49/80/01/492498001.db2.gz BVIUXGKLUJQYKL-AETAKHFUSA-N 2 0 374.460 0.631 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970268 492499845 /nfs/dbraw/zinc/49/98/45/492499845.db2.gz GTTQZQPHAKHNSP-NXOAAHMSSA-N 2 0 353.511 0.173 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000656069761 492531567 /nfs/dbraw/zinc/53/15/67/492531567.db2.gz OMWXMGOLLBIDBZ-UHFFFAOYSA-N 3 0 369.554 0.271 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)c1 ZINC000649322136 492533276 /nfs/dbraw/zinc/53/32/76/492533276.db2.gz ALZUOLCDBIZHFR-CYBMUJFWSA-N 2 0 357.418 0.179 20 0 FCADRP Cc1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)n(C2CC[NH+](C)CC2)n1 ZINC000649339433 492538410 /nfs/dbraw/zinc/53/84/10/492538410.db2.gz YXMOHOMDOBEOJI-HNNXBMFYSA-N 2 0 362.478 0.655 20 0 FCADRP CN1CCO[C@H]2CN(C(=O)c3ccc4[nH]c(=O)n(CC[NH+](C)C)c4c3)C[C@H]21 ZINC000636022631 492540062 /nfs/dbraw/zinc/54/00/62/492540062.db2.gz PJARPEURSUNRLU-SJORKVTESA-N 2 0 373.457 0.459 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347176 492542920 /nfs/dbraw/zinc/54/29/20/492542920.db2.gz JHGGPLNQXHGRBX-KBPBESRZSA-N 2 0 356.430 0.782 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000656084134 492545691 /nfs/dbraw/zinc/54/56/91/492545691.db2.gz VGNPEGIUUFOLBK-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000656084136 492546011 /nfs/dbraw/zinc/54/60/11/492546011.db2.gz VGNPEGIUUFOLBK-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354744 492546748 /nfs/dbraw/zinc/54/67/48/492546748.db2.gz IOUZZWZIPNHPFN-WBVHZDCISA-N 2 0 371.485 0.999 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC[C@@H]1[NH3+] ZINC000649358933 492547236 /nfs/dbraw/zinc/54/72/36/492547236.db2.gz JFDQBBCMBRENHW-VQHPVUNQSA-N 2 0 350.507 0.905 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000636282402 492575014 /nfs/dbraw/zinc/57/50/14/492575014.db2.gz KUDKEAOTRIZODK-SFFUCWETSA-N 2 0 351.491 0.950 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289635 492576329 /nfs/dbraw/zinc/57/63/29/492576329.db2.gz XQRBOJOROJLBPW-IAGOWNOFSA-N 2 0 351.491 0.953 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656301136 492578618 /nfs/dbraw/zinc/57/86/18/492578618.db2.gz HVDMFLSMHMDBOW-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357578 492612083 /nfs/dbraw/zinc/61/20/83/492612083.db2.gz ZMLLTTGCJXWWCG-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccnc1OCC(F)F ZINC000624368052 492641513 /nfs/dbraw/zinc/64/15/13/492641513.db2.gz CNYYZMLKTIHXJP-UHFFFAOYSA-N 2 0 352.407 0.414 20 0 FCADRP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629578818 492655967 /nfs/dbraw/zinc/65/59/67/492655967.db2.gz HEADNZZHMVIWMF-KGLIPLIRSA-N 2 0 351.447 0.931 20 0 FCADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707093 492663540 /nfs/dbraw/zinc/66/35/40/492663540.db2.gz YICJULYDGDLHNG-OTWHNJEPSA-N 2 0 374.533 0.947 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629787252 492672000 /nfs/dbraw/zinc/67/20/00/492672000.db2.gz ATVNUNOPZDKFPG-RYUDHWBXSA-N 2 0 352.401 0.382 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226422 492672682 /nfs/dbraw/zinc/67/26/82/492672682.db2.gz ITSTYYXLLZUWPJ-CEXWTWQISA-N 2 0 370.497 0.917 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226427 492672722 /nfs/dbraw/zinc/67/27/22/492672722.db2.gz ITSTYYXLLZUWPJ-GBESFXJTSA-N 2 0 370.497 0.917 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000629794329 492674379 /nfs/dbraw/zinc/67/43/79/492674379.db2.gz SLZNJGKGXOUCPU-UHFFFAOYSA-N 2 0 356.417 0.662 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000629799072 492677795 /nfs/dbraw/zinc/67/77/95/492677795.db2.gz DVIFWHWYYMTMJW-QGZVFWFLSA-N 2 0 362.474 0.153 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000629801144 492679156 /nfs/dbraw/zinc/67/91/56/492679156.db2.gz HQSLNKXQGNSUBD-HDICACEKSA-N 2 0 374.485 0.011 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000629811009 492684210 /nfs/dbraw/zinc/68/42/10/492684210.db2.gz FQOUCLHFFGOPFS-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC000629813264 492684652 /nfs/dbraw/zinc/68/46/52/492684652.db2.gz IRMZRWMTYQSZNS-VOAKCMCISA-N 2 0 362.396 0.135 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[C@H]1C(F)(F)F ZINC000629814077 492686153 /nfs/dbraw/zinc/68/61/53/492686153.db2.gz OTMYUUJOXRCFJZ-MGPQQGTHSA-N 2 0 374.407 0.445 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](O)C2)C1 ZINC000644276164 492688400 /nfs/dbraw/zinc/68/84/00/492688400.db2.gz XGCZJLYZQQTERS-TVFCKZIOSA-N 2 0 368.522 0.630 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000636939825 492733131 /nfs/dbraw/zinc/73/31/31/492733131.db2.gz GRYRZYGFQCFATK-YESZJQIVSA-N 2 0 354.495 0.120 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000637036505 492755624 /nfs/dbraw/zinc/75/56/24/492755624.db2.gz LCHQRXWFYMUMLG-QZTJIDSGSA-N 2 0 362.474 0.119 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439645 492757431 /nfs/dbraw/zinc/75/74/31/492757431.db2.gz RXYPCLOBHOYUCN-IEBWSBKVSA-N 2 0 370.538 0.976 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000630754450 492772881 /nfs/dbraw/zinc/77/28/81/492772881.db2.gz AERLOHYOFHVEER-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000644539386 492783542 /nfs/dbraw/zinc/78/35/42/492783542.db2.gz GKJDCMCWZCUGSZ-ZBFHGGJFSA-N 2 0 353.438 0.742 20 0 FCADRP CCn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000657833543 492800131 /nfs/dbraw/zinc/80/01/31/492800131.db2.gz GXOKGXLBLNDSTA-OAHLLOKOSA-N 2 0 364.494 0.716 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657874409 492807675 /nfs/dbraw/zinc/80/76/75/492807675.db2.gz RHLUKBAYMOMMCG-UHFFFAOYSA-N 2 0 373.501 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+](C2CC2)C1 ZINC000637373152 492813361 /nfs/dbraw/zinc/81/33/61/492813361.db2.gz NDZIKCCUWHZAMP-HOCLYGCPSA-N 2 0 351.495 0.452 20 0 FCADRP CCN(CC)C(=O)CN1CCCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631724432 492841120 /nfs/dbraw/zinc/84/11/20/492841120.db2.gz OOMLXYAAVWPMBH-UHFFFAOYSA-N 2 0 362.540 0.144 20 0 FCADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000631813575 492857770 /nfs/dbraw/zinc/85/77/70/492857770.db2.gz WHZATCYWRDIYHH-KRWDZBQOSA-N 2 0 360.568 0.664 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813008 492869787 /nfs/dbraw/zinc/86/97/87/492869787.db2.gz HNYWKVJFXBDWEK-WMZOPIPTSA-N 2 0 374.485 0.235 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000637841018 492871458 /nfs/dbraw/zinc/87/14/58/492871458.db2.gz RORNUCHYNJKAOE-IAGOWNOFSA-N 2 0 365.522 0.747 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000645136426 492872184 /nfs/dbraw/zinc/87/21/84/492872184.db2.gz SIBKCSNRCSWTQM-OWLYRPNTSA-N 2 0 362.518 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631898784 492872271 /nfs/dbraw/zinc/87/22/71/492872271.db2.gz AJMFAPVPHORUMI-UHFFFAOYSA-N 2 0 374.551 0.288 20 0 FCADRP O=C(NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645136421 492872425 /nfs/dbraw/zinc/87/24/25/492872425.db2.gz SIBKCSNRCSWTQM-BZZMCLGOSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631898011 492872601 /nfs/dbraw/zinc/87/26/01/492872601.db2.gz XGGDGPMXQWDMMR-UHFFFAOYSA-N 2 0 357.402 0.542 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000631911140 492878351 /nfs/dbraw/zinc/87/83/51/492878351.db2.gz WSIRPGSPPPVJKY-ROUUACIJSA-N 2 0 363.506 0.942 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000658427169 492885501 /nfs/dbraw/zinc/88/55/01/492885501.db2.gz OAZMLNORWVJAKU-AWEZNQCLSA-N 2 0 364.494 0.935 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652154392 492888540 /nfs/dbraw/zinc/88/85/40/492888540.db2.gz DKKREGWUHDECPI-YVSFHVDLSA-N 2 0 354.495 0.635 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000631928156 492889347 /nfs/dbraw/zinc/88/93/47/492889347.db2.gz ROIUNSKSPGSYOH-WMLDXEAASA-N 2 0 356.536 0.864 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000631933471 492891295 /nfs/dbraw/zinc/89/12/95/492891295.db2.gz FGEYYKUPIVZLCP-QGZVFWFLSA-N 2 0 358.552 0.418 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940006 492893208 /nfs/dbraw/zinc/89/32/08/492893208.db2.gz NEYMGCOYUKBSJJ-ROUUACIJSA-N 2 0 372.579 0.665 20 0 FCADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348598 492913014 /nfs/dbraw/zinc/91/30/14/492913014.db2.gz JUXLDSGVPCFAOW-HRCADAONSA-N 2 0 363.524 0.161 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348166 492913318 /nfs/dbraw/zinc/91/33/18/492913318.db2.gz WGJJZDMOODWHLC-JSRQGNBESA-N 2 0 366.506 0.317 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)CN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000638137356 492915771 /nfs/dbraw/zinc/91/57/71/492915771.db2.gz JAHNKJRIEBJQIT-LJQANCHMSA-N 2 0 359.518 0.387 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000638137085 492915810 /nfs/dbraw/zinc/91/58/10/492915810.db2.gz RDXRGXVUJHHVKI-ICSRJNTNSA-N 2 0 360.502 0.817 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)CN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000638137355 492915838 /nfs/dbraw/zinc/91/58/38/492915838.db2.gz JAHNKJRIEBJQIT-IBGZPJMESA-N 2 0 359.518 0.387 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000638149169 492919035 /nfs/dbraw/zinc/91/90/35/492919035.db2.gz QBLXAFGDVZECNV-JLSDUUJJSA-N 2 0 374.485 0.802 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000652394712 492923107 /nfs/dbraw/zinc/92/31/07/492923107.db2.gz CBIONHGANHNPHO-UHFFFAOYSA-N 2 0 359.474 0.675 20 0 FCADRP CN1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)c2c[nH+]ccc21 ZINC000632085372 492926506 /nfs/dbraw/zinc/92/65/06/492926506.db2.gz NIUNFCJVVCEWAB-UHFFFAOYSA-N 2 0 353.492 0.305 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000652447846 492934638 /nfs/dbraw/zinc/93/46/38/492934638.db2.gz GKNDYDLACOXGCP-UHFFFAOYSA-N 2 0 368.522 0.236 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCCO1 ZINC000638346517 492938370 /nfs/dbraw/zinc/93/83/70/492938370.db2.gz XXAJBIOZGXWFLD-SFHVURJKSA-N 2 0 360.502 0.946 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000638346724 492938576 /nfs/dbraw/zinc/93/85/76/492938576.db2.gz DRUAUPPONDVWBS-SQNIBIBYSA-N 2 0 359.470 0.792 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2 ZINC000638383045 492941665 /nfs/dbraw/zinc/94/16/65/492941665.db2.gz AABVKBLNLUKXAP-MMPTUQATSA-N 2 0 354.405 0.951 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632185735 492947838 /nfs/dbraw/zinc/94/78/38/492947838.db2.gz JLURDAGEUSLRTM-MRXNPFEDSA-N 2 0 360.568 0.616 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638553361 492960376 /nfs/dbraw/zinc/96/03/76/492960376.db2.gz BAURTWPQFMUFCW-OAHLLOKOSA-N 2 0 354.520 0.697 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000638560401 492961443 /nfs/dbraw/zinc/96/14/43/492961443.db2.gz TWSRUDDPJCGGME-WOPDTQHZSA-N 2 0 350.385 0.230 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cn1 ZINC000652621863 492971726 /nfs/dbraw/zinc/97/17/26/492971726.db2.gz WXDJMTYEAZMEAP-OAHLLOKOSA-N 2 0 350.467 0.407 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000652623658 492972246 /nfs/dbraw/zinc/97/22/46/492972246.db2.gz OMRDBCRBDNCJKY-OAHLLOKOSA-N 2 0 362.478 0.231 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000638748239 492975211 /nfs/dbraw/zinc/97/52/11/492975211.db2.gz PTFQPCVNZZPSLA-KRWDZBQOSA-N 2 0 354.458 0.750 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638837087 492981471 /nfs/dbraw/zinc/98/14/71/492981471.db2.gz XVCMZHSBKAHPPQ-NXHRZFHOSA-N 2 0 358.486 0.739 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000638857019 492982366 /nfs/dbraw/zinc/98/23/66/492982366.db2.gz WRZRLGFZVJBBSH-QZTJIDSGSA-N 2 0 374.485 0.376 20 0 FCADRP C[C@H](CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)C1CC[NH2+]CC1 ZINC000638855638 492982479 /nfs/dbraw/zinc/98/24/79/492982479.db2.gz GNFQKDXEMYMXBT-PBHICJAKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652668361 492982991 /nfs/dbraw/zinc/98/29/91/492982991.db2.gz YJBYJXWAQJQDSM-QAETUUGQSA-N 2 0 368.522 0.578 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000632369265 492984794 /nfs/dbraw/zinc/98/47/94/492984794.db2.gz NQRFYEGJESTHHO-DZGCQCFKSA-N 2 0 357.524 0.775 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)nn1 ZINC000638903705 492985525 /nfs/dbraw/zinc/98/55/25/492985525.db2.gz TZIZDJBEHBCNPI-QGZVFWFLSA-N 2 0 354.458 0.832 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645869688 492985819 /nfs/dbraw/zinc/98/58/19/492985819.db2.gz OUTRXUANFBSXKB-HNNXBMFYSA-N 2 0 361.490 0.730 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652676946 492986395 /nfs/dbraw/zinc/98/63/95/492986395.db2.gz LHIXJGVYPBSIJR-FXUDXRNXSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652676949 492986869 /nfs/dbraw/zinc/98/68/69/492986869.db2.gz LHIXJGVYPBSIJR-UGUYLWEFSA-N 2 0 354.495 0.188 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000652681194 492988172 /nfs/dbraw/zinc/98/81/72/492988172.db2.gz DPVGPKOWLNZNHF-CQSZACIVSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949243 492988836 /nfs/dbraw/zinc/98/88/36/492988836.db2.gz ZJUZUDVAKHYKFZ-VQHPVUNQSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000652682638 492989201 /nfs/dbraw/zinc/98/92/01/492989201.db2.gz PCFOUONFMCMAMG-UHFFFAOYSA-N 2 0 372.513 0.708 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nn1 ZINC000645936023 492989556 /nfs/dbraw/zinc/98/95/56/492989556.db2.gz UPEASXCNZLIHNT-UHFFFAOYSA-N 2 0 372.473 0.514 20 0 FCADRP O=C(CNC(=O)COc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986817 492990489 /nfs/dbraw/zinc/99/04/89/492990489.db2.gz CVVIWAWFDHLNOM-UHFFFAOYSA-N 2 0 369.425 0.625 20 0 FCADRP O=C(Cn1ncc2ccccc2c1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988075 492991288 /nfs/dbraw/zinc/99/12/88/492991288.db2.gz RSLKUEVMIOEZIH-UHFFFAOYSA-N 2 0 364.409 0.840 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652692882 492992055 /nfs/dbraw/zinc/99/20/55/492992055.db2.gz GGGXJMMHJKCUGF-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652692176 492992108 /nfs/dbraw/zinc/99/21/08/492992108.db2.gz LDNAZTLMDFMTDH-JYJNAYRXSA-N 2 0 354.495 0.189 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@H](C[NH3+])c3ccccc32)nn1 ZINC000639064959 492994719 /nfs/dbraw/zinc/99/47/19/492994719.db2.gz NBLVYMJOCJPVCA-QIIPPGSGSA-N 2 0 370.457 0.459 20 0 FCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009584 493001462 /nfs/dbraw/zinc/00/14/62/493001462.db2.gz VOFCQQQCXGEVNE-FBVQUNGASA-N 2 0 350.507 0.430 20 0 FCADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000639261042 493003312 /nfs/dbraw/zinc/00/33/12/493003312.db2.gz KFOHHNUXNZYITL-IAGOWNOFSA-N 2 0 352.523 0.820 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724396 493004358 /nfs/dbraw/zinc/00/43/58/493004358.db2.gz ABZULSCQHZJALN-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000652726588 493005749 /nfs/dbraw/zinc/00/57/49/493005749.db2.gz CIDHRHRATLZTCB-UHFFFAOYSA-N 2 0 366.506 0.145 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652726812 493005943 /nfs/dbraw/zinc/00/59/43/493005943.db2.gz PDOBPUYKVBHFFE-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cn1 ZINC000646075333 493010934 /nfs/dbraw/zinc/01/09/34/493010934.db2.gz CQWDFBOABCSUDQ-MRXNPFEDSA-N 2 0 364.494 0.797 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000632533684 493022559 /nfs/dbraw/zinc/02/25/59/493022559.db2.gz BGUVLSNUBZHRFK-UHFFFAOYSA-N 2 0 372.579 0.904 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCO1 ZINC000658712394 493023207 /nfs/dbraw/zinc/02/32/07/493023207.db2.gz VHPFEHZGEAWSQG-BBWFWOEESA-N 2 0 366.506 0.108 20 0 FCADRP O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616673 493023564 /nfs/dbraw/zinc/02/35/64/493023564.db2.gz CJOAXUZSQKHQJM-RTBURBONSA-N 2 0 358.442 0.297 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000626878831 493045031 /nfs/dbraw/zinc/04/50/31/493045031.db2.gz BATBJJJJBWACEJ-GOSISDBHSA-N 2 0 374.485 0.758 20 0 FCADRP COC[C@@]1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000646432995 493048214 /nfs/dbraw/zinc/04/82/14/493048214.db2.gz AHKNCUMRNSBOGM-LJQANCHMSA-N 2 0 362.474 0.220 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000658778979 493052478 /nfs/dbraw/zinc/05/24/78/493052478.db2.gz QONPMYUGKPDRFL-CQSZACIVSA-N 2 0 362.478 0.689 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000653123991 493075280 /nfs/dbraw/zinc/07/52/80/493075280.db2.gz NJWXSQGDYYIDAZ-OAHLLOKOSA-N 2 0 355.527 0.008 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124981 493075996 /nfs/dbraw/zinc/07/59/96/493075996.db2.gz ONNCQOARSGBCSM-QZTJIDSGSA-N 2 0 352.523 0.630 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000653124858 493076057 /nfs/dbraw/zinc/07/60/57/493076057.db2.gz JHFZNYTYBRUBPD-OALUTQOASA-N 2 0 361.534 0.760 20 0 FCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000653164447 493081106 /nfs/dbraw/zinc/08/11/06/493081106.db2.gz MCYHGFBOGOESCE-TWMKSMIVSA-N 2 0 361.490 0.264 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000653260062 493087305 /nfs/dbraw/zinc/08/73/05/493087305.db2.gz BWGSCSYUPFWOJT-QXSJWSMHSA-N 2 0 352.479 0.132 20 0 FCADRP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646765474 493092050 /nfs/dbraw/zinc/09/20/50/493092050.db2.gz BZHQSOZBIAMJKN-HNNXBMFYSA-N 2 0 350.467 0.326 20 0 FCADRP CCO[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000632961030 493098044 /nfs/dbraw/zinc/09/80/44/493098044.db2.gz MZRGDPCZSPAFLR-CZUORRHYSA-N 2 0 350.467 0.977 20 0 FCADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000646802120 493098811 /nfs/dbraw/zinc/09/88/11/493098811.db2.gz ICVHQDMVCJQQTL-OAHLLOKOSA-N 2 0 370.461 0.460 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000633021849 493104559 /nfs/dbraw/zinc/10/45/59/493104559.db2.gz BJVQRDHCBQVPDD-RDJZCZTQSA-N 2 0 357.458 0.340 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640533833 493113343 /nfs/dbraw/zinc/11/33/43/493113343.db2.gz WXKVDPVIAUMFMU-UHFFFAOYSA-N 2 0 357.524 0.896 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000627246496 493116263 /nfs/dbraw/zinc/11/62/63/493116263.db2.gz MVYRKMYWDPWYJU-SOUVJXGZSA-N 2 0 361.494 0.459 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633079354 493116987 /nfs/dbraw/zinc/11/69/87/493116987.db2.gz WJXPHTLJACUPIG-ROUUACIJSA-N 2 0 356.470 0.602 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000633080205 493117803 /nfs/dbraw/zinc/11/78/03/493117803.db2.gz BBOYEEPLUKIRRT-KSZLIROESA-N 2 0 356.470 0.682 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640576969 493118058 /nfs/dbraw/zinc/11/80/58/493118058.db2.gz JDHFLMIZKWBKHO-UHFFFAOYSA-N 2 0 350.467 0.627 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086069 493118803 /nfs/dbraw/zinc/11/88/03/493118803.db2.gz YPWLHMYDFURKCF-WMZOPIPTSA-N 2 0 356.470 0.682 20 0 FCADRP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627258117 493120249 /nfs/dbraw/zinc/12/02/49/493120249.db2.gz UVAIWANJZRLXJE-QRVBRYPASA-N 2 0 358.486 0.961 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633099927 493125213 /nfs/dbraw/zinc/12/52/13/493125213.db2.gz SNAAXJQNTQFJQV-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000653430902 493134428 /nfs/dbraw/zinc/13/44/28/493134428.db2.gz RCTMJUXMVZKKIG-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627295313 493138162 /nfs/dbraw/zinc/13/81/62/493138162.db2.gz ZWFPPLHVOGWLNB-XQQFMLRXSA-N 2 0 366.428 0.819 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312501 493146319 /nfs/dbraw/zinc/14/63/19/493146319.db2.gz ZXJLPHVXCKVTOD-DJIMGWMZSA-N 2 0 360.458 0.043 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312475 493146369 /nfs/dbraw/zinc/14/63/69/493146369.db2.gz ZKLBQGNKPBUMDL-YYIAUSFCSA-N 2 0 352.523 0.925 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000659093335 493148960 /nfs/dbraw/zinc/14/89/60/493148960.db2.gz NIIBBDMEMRMHSK-UHFFFAOYSA-N 2 0 363.462 0.711 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000627325394 493153937 /nfs/dbraw/zinc/15/39/37/493153937.db2.gz IASSTBORECJVQT-MDZLAQPJSA-N 2 0 362.396 0.325 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000627325678 493154677 /nfs/dbraw/zinc/15/46/77/493154677.db2.gz QWTWBTGLEJYTDU-CQSZACIVSA-N 2 0 352.504 0.884 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627329359 493156474 /nfs/dbraw/zinc/15/64/74/493156474.db2.gz IFTIABBQTICHRY-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000627331991 493157209 /nfs/dbraw/zinc/15/72/09/493157209.db2.gz NVOSBHLCTCYSRU-QZTJIDSGSA-N 2 0 374.485 0.353 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000659113784 493160079 /nfs/dbraw/zinc/16/00/79/493160079.db2.gz YETYKDQQPDWWPU-NSHDSACASA-N 2 0 356.854 0.943 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627345289 493165539 /nfs/dbraw/zinc/16/55/39/493165539.db2.gz HDGODAFTYRAZNC-QGZVFWFLSA-N 2 0 360.458 0.003 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000659434685 493175648 /nfs/dbraw/zinc/17/56/48/493175648.db2.gz PQOUMMSUXGIRQI-GFCCVEGCSA-N 2 0 350.448 0.805 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220166 493184241 /nfs/dbraw/zinc/18/42/41/493184241.db2.gz ABQCPZQZWRZJLV-GDBMZVCRSA-N 2 0 353.854 0.919 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264821 493186292 /nfs/dbraw/zinc/18/62/92/493186292.db2.gz UCUDGAWHBJNROT-HUUCEWRRSA-N 2 0 355.508 0.434 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cnn1C ZINC000659301468 493187269 /nfs/dbraw/zinc/18/72/69/493187269.db2.gz HGWKZSWIUGEYPP-XOKHGSTOSA-N 2 0 354.458 0.881 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000627382224 493190869 /nfs/dbraw/zinc/19/08/69/493190869.db2.gz QOYKIUMLNNMFBY-HNNXBMFYSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627382692 493191701 /nfs/dbraw/zinc/19/17/01/493191701.db2.gz HDGMKGNIYZTPLD-MRXNPFEDSA-N 2 0 366.506 0.254 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627386940 493194767 /nfs/dbraw/zinc/19/47/67/493194767.db2.gz ASMXBAPDXLNQLP-MAUKXSAKSA-N 2 0 374.485 0.433 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627386939 493194923 /nfs/dbraw/zinc/19/49/23/493194923.db2.gz ASMXBAPDXLNQLP-CRAIPNDOSA-N 2 0 374.485 0.433 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659490627 493194992 /nfs/dbraw/zinc/19/49/92/493194992.db2.gz ZIQIHUPKEFACHZ-OAHLLOKOSA-N 2 0 370.457 0.962 20 0 FCADRP [NH3+]CCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000659349364 493197011 /nfs/dbraw/zinc/19/70/11/493197011.db2.gz FLTYLQSVDJOKLQ-BXUZGUMPSA-N 2 0 350.373 0.391 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627392667 493200226 /nfs/dbraw/zinc/20/02/26/493200226.db2.gz BHTMKQGQRZDROS-MRXNPFEDSA-N 2 0 368.522 0.448 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659549169 493211590 /nfs/dbraw/zinc/21/15/90/493211590.db2.gz LLLITCQHXFZHDL-IKGGRYGDSA-N 2 0 350.438 0.949 20 0 FCADRP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659580437 493215932 /nfs/dbraw/zinc/21/59/32/493215932.db2.gz AYOUTLPPXJAZGB-BHTHQVBYSA-N 2 0 354.401 0.290 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)nc1 ZINC000659615856 493221082 /nfs/dbraw/zinc/22/10/82/493221082.db2.gz AVGSDINNMWUCOL-UHFFFAOYSA-N 2 0 358.490 0.727 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638248 493221613 /nfs/dbraw/zinc/22/16/13/493221613.db2.gz RJBJQUOHWNAVEV-MRXNPFEDSA-N 2 0 367.538 0.071 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630220 493224051 /nfs/dbraw/zinc/22/40/51/493224051.db2.gz GXOQQHRKBNGBQD-WFASDCNBSA-N 2 0 360.462 0.799 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000641443783 493236864 /nfs/dbraw/zinc/23/68/64/493236864.db2.gz WDPDETFAKIZGDO-SJORKVTESA-N 2 0 360.506 0.972 20 0 FCADRP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000666912850 493237678 /nfs/dbraw/zinc/23/76/78/493237678.db2.gz KOKSYTNNIUEMTF-AEFFLSMTSA-N 2 0 370.453 0.519 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000666976180 493244163 /nfs/dbraw/zinc/24/41/63/493244163.db2.gz DBASDCOEOXZKAB-HLLBOEOZSA-N 2 0 354.495 0.336 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000659678989 493247076 /nfs/dbraw/zinc/24/70/76/493247076.db2.gz BJWIOADIYXQHRP-JKSUJKDBSA-N 2 0 366.506 0.258 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659689382 493254351 /nfs/dbraw/zinc/25/43/51/493254351.db2.gz CBWXHMMRRURPHN-AWEZNQCLSA-N 2 0 361.490 0.919 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659689917 493255230 /nfs/dbraw/zinc/25/52/30/493255230.db2.gz KTSOKUQPDOFZQU-UHFFFAOYSA-N 2 0 362.474 0.631 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[N@@H+]1C1CC1 ZINC000659694534 493257652 /nfs/dbraw/zinc/25/76/52/493257652.db2.gz VJDKZRHVEVDHFD-PVAVHDDUSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCC1 ZINC000659695321 493258029 /nfs/dbraw/zinc/25/80/29/493258029.db2.gz YMXYNAFXLKNDSW-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854796 493258838 /nfs/dbraw/zinc/25/88/38/493258838.db2.gz KWXQBURMNOILTM-INIZCTEOSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1=CC[N@H+](C)CC1 ZINC000659700914 493261599 /nfs/dbraw/zinc/26/15/99/493261599.db2.gz ASKKLNDZJVNRRB-CRAIPNDOSA-N 2 0 362.518 0.991 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000659715968 493269577 /nfs/dbraw/zinc/26/95/77/493269577.db2.gz UNDXUWKFKPOXPO-QGZVFWFLSA-N 2 0 359.474 0.263 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659717126 493269859 /nfs/dbraw/zinc/26/98/59/493269859.db2.gz ZYMVIUWFSQMASU-QZTJIDSGSA-N 2 0 373.501 0.796 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718302 493270082 /nfs/dbraw/zinc/27/00/82/493270082.db2.gz OSDOGBXUAKZOCL-IRXDYDNUSA-N 2 0 350.507 0.858 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719539 493270841 /nfs/dbraw/zinc/27/08/41/493270841.db2.gz YSVHTLXLYQMFGP-SQWLQELKSA-N 2 0 366.506 0.739 20 0 FCADRP CC[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000641658762 493271026 /nfs/dbraw/zinc/27/10/26/493271026.db2.gz FPABUMMOSKZRPB-FRRDWIJNSA-N 2 0 351.417 0.591 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659722880 493272796 /nfs/dbraw/zinc/27/27/96/493272796.db2.gz NCHUBZCFAOVRAP-UHFFFAOYSA-N 2 0 371.485 0.446 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727364 493275586 /nfs/dbraw/zinc/27/55/86/493275586.db2.gz DJMZMZFLFZGHNZ-KRWDZBQOSA-N 2 0 359.474 0.360 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000659732251 493277271 /nfs/dbraw/zinc/27/72/71/493277271.db2.gz UMWRDULORCUKPT-CEXWTWQISA-N 2 0 370.497 0.978 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1cccc(F)c1 ZINC000659732305 493277663 /nfs/dbraw/zinc/27/76/63/493277663.db2.gz LXHJTHLSIAUAJS-HNNXBMFYSA-N 2 0 350.438 0.932 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[C@@H]1[NH3+] ZINC000659754301 493286421 /nfs/dbraw/zinc/28/64/21/493286421.db2.gz DMCQIGQJJCVIKK-IRXDYDNUSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@@H]1C[NH3+] ZINC000659756015 493286922 /nfs/dbraw/zinc/28/69/22/493286922.db2.gz OYYDGDRSLHILIU-YOEHRIQHSA-N 2 0 350.507 0.668 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537191 493289301 /nfs/dbraw/zinc/28/93/01/493289301.db2.gz SRLAZQKKDIXZBE-ZBFHGGJFSA-N 2 0 360.458 0.906 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812649 493303253 /nfs/dbraw/zinc/30/32/53/493303253.db2.gz SIYYEHATPXBHSD-LSDHHAIUSA-N 2 0 362.540 0.189 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660121622 493327138 /nfs/dbraw/zinc/32/71/38/493327138.db2.gz VLHVYSMYNXOQCG-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000668302257 493329345 /nfs/dbraw/zinc/32/93/45/493329345.db2.gz CITCCBDTUUMTHO-KBPBESRZSA-N 2 0 369.428 0.922 20 0 FCADRP Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000683021988 493330335 /nfs/dbraw/zinc/33/03/35/493330335.db2.gz PWJLVMHZEQBOQT-UHFFFAOYSA-N 2 0 360.462 0.762 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668511533 493368217 /nfs/dbraw/zinc/36/82/17/493368217.db2.gz JCRGDTDSMLXQAM-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP CC(C)(CO)[NH+]1CCN(CCCCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896262 493372675 /nfs/dbraw/zinc/37/26/75/493372675.db2.gz SEHOICNSTPIVTQ-UHFFFAOYSA-N 2 0 370.582 0.544 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)n2)CC1 ZINC000683867672 493375357 /nfs/dbraw/zinc/37/53/57/493375357.db2.gz NZMNAQGCJANEHI-OAHLLOKOSA-N 2 0 374.489 0.689 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000668584449 493379523 /nfs/dbraw/zinc/37/95/23/493379523.db2.gz CULXDOTYPZZEPT-BBWFWOEESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCSC1 ZINC000673982350 493379513 /nfs/dbraw/zinc/37/95/13/493379513.db2.gz LKKCIROKZZOBHF-VYDXJSESSA-N 2 0 356.536 0.664 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC000668674320 493394827 /nfs/dbraw/zinc/39/48/27/493394827.db2.gz LEXDHDZHNRUCRG-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668682269 493396218 /nfs/dbraw/zinc/39/62/18/493396218.db2.gz CNVWHIRVXCPWOX-QGZVFWFLSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)[NH+](C)CCNC(=O)c1cc(C(=O)NCC[N@@H+](C)C(C)C)[nH]n1 ZINC000668701195 493399686 /nfs/dbraw/zinc/39/96/86/493399686.db2.gz QAMHTBGGIQCDAM-UHFFFAOYSA-N 2 0 352.483 0.550 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668731351 493402648 /nfs/dbraw/zinc/40/26/48/493402648.db2.gz AJTHJESRNUCLMG-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000674329171 493409047 /nfs/dbraw/zinc/40/90/47/493409047.db2.gz RCPMNJDUSJSALZ-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000661131431 493409493 /nfs/dbraw/zinc/40/94/93/493409493.db2.gz UJURINIXYGAZCW-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841168 493419435 /nfs/dbraw/zinc/41/94/35/493419435.db2.gz HGBKWEVYOBYBDC-HOTGVXAUSA-N 2 0 366.506 0.347 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000669035289 493455570 /nfs/dbraw/zinc/45/55/70/493455570.db2.gz BYFRHXLSPGFRPK-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669135308 493467265 /nfs/dbraw/zinc/46/72/65/493467265.db2.gz DSEPTHXFYCVDGV-YOEHRIQHSA-N 2 0 350.463 0.885 20 0 FCADRP Cc1nc(NC[C@](C)(O)C[NH+](C)C)nc(NC[C@@](C)(O)C[NH+](C)C)c1F ZINC000685273087 493471044 /nfs/dbraw/zinc/47/10/44/493471044.db2.gz PPGSDGCEVRODFX-SJORKVTESA-N 2 0 372.489 0.373 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000661948148 493478179 /nfs/dbraw/zinc/47/81/79/493478179.db2.gz UCPDIHHGFRJDKC-MGNMYUMUSA-N 2 0 365.522 0.854 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccsc1 ZINC000669279513 493488928 /nfs/dbraw/zinc/48/89/28/493488928.db2.gz ROUMDJUZQYAHJG-HNNXBMFYSA-N 2 0 367.519 0.862 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000685519470 493500996 /nfs/dbraw/zinc/50/09/96/493500996.db2.gz SUWKHVXZWIRVSK-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290660 493503739 /nfs/dbraw/zinc/50/37/39/493503739.db2.gz HHTWHHZXLIKXJC-PVAVHDDUSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290659 493503872 /nfs/dbraw/zinc/50/38/72/493503872.db2.gz HHTWHHZXLIKXJC-OIISXLGYSA-N 2 0 350.507 0.810 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662290901 493503893 /nfs/dbraw/zinc/50/38/93/493503893.db2.gz MRTFUWGHAHQTKH-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299001 493504626 /nfs/dbraw/zinc/50/46/26/493504626.db2.gz ZDKNVTWVZUVYDO-WMLDXEAASA-N 2 0 350.507 0.810 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295935 493504987 /nfs/dbraw/zinc/50/49/87/493504987.db2.gz JDTWGECYOIRWKI-MAUKXSAKSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483643 493506643 /nfs/dbraw/zinc/50/66/43/493506643.db2.gz GCCKAAMCKYDXSH-GOSISDBHSA-N 2 0 373.501 0.945 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486530 493506698 /nfs/dbraw/zinc/50/66/98/493506698.db2.gz UPPGBQXJAQURET-GVDBMIGSSA-N 2 0 353.511 0.304 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cnnn3C3CC[NH2+]CC3)cn2)CC1 ZINC000662365719 493509928 /nfs/dbraw/zinc/50/99/28/493509928.db2.gz VZQYXYVDTXLOKY-UHFFFAOYSA-N 2 0 370.461 0.602 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000662380053 493510885 /nfs/dbraw/zinc/51/08/85/493510885.db2.gz IVRJLKAVTNUFPS-UHFFFAOYSA-N 2 0 371.489 0.175 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662437930 493515414 /nfs/dbraw/zinc/51/54/14/493515414.db2.gz KEBZUJLNKPXVCB-GFCCVEGCSA-N 2 0 350.488 0.711 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC000662457759 493517855 /nfs/dbraw/zinc/51/78/55/493517855.db2.gz MUROSBFFFITUTQ-ZYSHUDEJSA-N 2 0 374.533 0.316 20 0 FCADRP Cc1c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662474238 493519264 /nfs/dbraw/zinc/51/92/64/493519264.db2.gz UUCITMVHLMEHIM-KRWDZBQOSA-N 2 0 368.485 0.950 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000662529340 493524173 /nfs/dbraw/zinc/52/41/73/493524173.db2.gz VVXIAWPXLBQQAJ-LFVTVUPYSA-N 2 0 363.506 0.335 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)ccc21 ZINC000662751253 493537678 /nfs/dbraw/zinc/53/76/78/493537678.db2.gz XDSMYHTVDFSJEL-UHFFFAOYSA-N 2 0 354.414 0.874 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662751980 493537888 /nfs/dbraw/zinc/53/78/88/493537888.db2.gz NNCDKEUSUIQRQQ-HUUCEWRRSA-N 2 0 354.495 0.093 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662857371 493547358 /nfs/dbraw/zinc/54/73/58/493547358.db2.gz AMNHZTOBGLQKMG-SJORKVTESA-N 2 0 369.469 0.983 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394354 493548843 /nfs/dbraw/zinc/54/88/43/493548843.db2.gz ZTBZDBPUOZPBSJ-TZIWHRDSSA-N 2 0 373.497 0.993 20 0 FCADRP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901110 493549969 /nfs/dbraw/zinc/54/99/69/493549969.db2.gz SPYADMCEWNCIRB-ZBFHGGJFSA-N 2 0 360.506 0.727 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)[C@@H]2C1 ZINC000662944038 493558418 /nfs/dbraw/zinc/55/84/18/493558418.db2.gz HSOWQYLLYJUAOY-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1=O ZINC000670391020 493560318 /nfs/dbraw/zinc/56/03/18/493560318.db2.gz UVBWBUKEBCEIBA-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662957199 493560293 /nfs/dbraw/zinc/56/02/93/493560293.db2.gz UTAYGGGRKWRIDC-WMZOPIPTSA-N 2 0 358.486 0.582 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1=O ZINC000670391017 493560413 /nfs/dbraw/zinc/56/04/13/493560413.db2.gz UVBWBUKEBCEIBA-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662972185 493562568 /nfs/dbraw/zinc/56/25/68/493562568.db2.gz ANUSNDSQVUHSFY-RBUKOAKNSA-N 2 0 372.513 0.972 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC000662988056 493564995 /nfs/dbraw/zinc/56/49/95/493564995.db2.gz NWNZZPQNHALVBW-WBVHZDCISA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432435 493566313 /nfs/dbraw/zinc/56/63/13/493566313.db2.gz NQKGTJLNFWHLOA-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019801 493567187 /nfs/dbraw/zinc/56/71/87/493567187.db2.gz VCXWQTHIGSMWPP-HRCADAONSA-N 2 0 360.506 0.900 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020035 493567204 /nfs/dbraw/zinc/56/72/04/493567204.db2.gz VNAPXKLOMRJVSU-XHSDSOJGSA-N 2 0 360.506 0.913 20 0 FCADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)CC2 ZINC000670444834 493568793 /nfs/dbraw/zinc/56/87/93/493568793.db2.gz RXGVVNACVABUQY-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607665 493580557 /nfs/dbraw/zinc/58/05/57/493580557.db2.gz BVYZFHSCMATYAZ-MOPGFXCFSA-N 2 0 372.513 0.876 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000670670591 493586430 /nfs/dbraw/zinc/58/64/30/493586430.db2.gz HCDRBCNJCICJIN-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000677153487 493586992 /nfs/dbraw/zinc/58/69/92/493586992.db2.gz RJSSGPSHIKQJOT-GASCZTMLSA-N 2 0 363.510 0.941 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663612955 493603866 /nfs/dbraw/zinc/60/38/66/493603866.db2.gz WGSQQEQXKYRRPN-LJQANCHMSA-N 2 0 359.474 0.635 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670983525 493618927 /nfs/dbraw/zinc/61/89/27/493618927.db2.gz QKJWRHCCBXXXDE-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663865091 493621814 /nfs/dbraw/zinc/62/18/14/493621814.db2.gz CLVFZCLGGJPYQC-HOTGVXAUSA-N 2 0 350.463 0.443 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981211 493628631 /nfs/dbraw/zinc/62/86/31/493628631.db2.gz ZLJJLYCSBWHWPB-QYZOEREBSA-N 2 0 360.502 0.867 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000671102511 493633394 /nfs/dbraw/zinc/63/33/94/493633394.db2.gz PRLOYABOMDTCMA-KURKYZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000671102515 493633408 /nfs/dbraw/zinc/63/34/08/493633408.db2.gz PRLOYABOMDTCMA-SQNIBIBYSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671102513 493633428 /nfs/dbraw/zinc/63/34/28/493633428.db2.gz PRLOYABOMDTCMA-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671103232 493633975 /nfs/dbraw/zinc/63/39/75/493633975.db2.gz ZWCIVXWHOIAZDQ-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671105110 493634663 /nfs/dbraw/zinc/63/46/63/493634663.db2.gz HVGXZIQBWCDPPK-JYJNAYRXSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671105914 493634877 /nfs/dbraw/zinc/63/48/77/493634877.db2.gz OTNVBNDSQCECTF-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000678199398 493637710 /nfs/dbraw/zinc/63/77/10/493637710.db2.gz OKQAIGXEKPMQPC-MRXNPFEDSA-N 2 0 365.522 0.844 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000671376398 493662285 /nfs/dbraw/zinc/66/22/85/493662285.db2.gz ULILFVWGWRBUIO-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000671849796 493708628 /nfs/dbraw/zinc/70/86/28/493708628.db2.gz CYXFVVWMPRAZNU-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880933 493710711 /nfs/dbraw/zinc/71/07/11/493710711.db2.gz YFPKZIKIWZLHMX-IAGOWNOFSA-N 2 0 350.507 0.824 20 0 FCADRP COC(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000680223999 493710889 /nfs/dbraw/zinc/71/08/89/493710889.db2.gz UAUCMISZRSFSFW-HZPDHXFCSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671881814 493711159 /nfs/dbraw/zinc/71/11/59/493711159.db2.gz UCNJHJGCVYXZQK-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@@H]1O ZINC000665461359 493716126 /nfs/dbraw/zinc/71/61/26/493716126.db2.gz LUNRGHFSXFRCFS-IRXDYDNUSA-N 2 0 354.495 0.194 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010235 493724158 /nfs/dbraw/zinc/72/41/58/493724158.db2.gz MPARPUBOLJUKLX-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011012 493724618 /nfs/dbraw/zinc/72/46/18/493724618.db2.gz BXLOKNNKFPMFPJ-DOTOQJQBSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672099032 493735265 /nfs/dbraw/zinc/73/52/65/493735265.db2.gz PEXRMCDOLSFUJH-DLBZAZTESA-N 2 0 367.538 0.071 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672204275 493742440 /nfs/dbraw/zinc/74/24/40/493742440.db2.gz SBOFJEQMTBSHNP-QGZVFWFLSA-N 2 0 359.474 0.721 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305727 493751841 /nfs/dbraw/zinc/75/18/41/493751841.db2.gz BEIPGDAEGIJPEU-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310253 493754383 /nfs/dbraw/zinc/75/43/83/493754383.db2.gz LTKOOWFGVOWBKI-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886441 534226012 /nfs/dbraw/zinc/22/60/12/534226012.db2.gz URTDQBWMQUCKHJ-CALCHBBNSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419958139 536448899 /nfs/dbraw/zinc/44/88/99/536448899.db2.gz USHWUUKQXIPCHH-CYBMUJFWSA-N 2 0 370.444 0.827 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000410429775 528143226 /nfs/dbraw/zinc/14/32/26/528143226.db2.gz DGLSLIZEYHSPJM-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP CC[N@H+](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(C)C ZINC000413244363 528491771 /nfs/dbraw/zinc/49/17/71/528491771.db2.gz WQDGPQQBNASPGX-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)C(C)C ZINC000410522992 528886966 /nfs/dbraw/zinc/88/69/66/528886966.db2.gz BJOFPKNPJFDCPB-UHFFFAOYSA-N 2 0 370.538 0.479 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410888714 528890441 /nfs/dbraw/zinc/89/04/41/528890441.db2.gz WMOKXWMVIKSYJS-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000410885285 528891553 /nfs/dbraw/zinc/89/15/53/528891553.db2.gz LSGSQTQKVDMMRI-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031263 529060038 /nfs/dbraw/zinc/06/00/38/529060038.db2.gz SLFXIRNNIXEDIX-VQIMIIECSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423504208 535062928 /nfs/dbraw/zinc/06/29/28/535062928.db2.gz KSTZSRAWCVCIMV-IRXDYDNUSA-N 2 0 368.522 0.530 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000419705453 535071694 /nfs/dbraw/zinc/07/16/94/535071694.db2.gz ZPLCBLCKADAGOE-VVLHAWIVSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419698215 535073827 /nfs/dbraw/zinc/07/38/27/535073827.db2.gz PFDUKKFCVNXJBV-QFBILLFUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C[NH+]1CCCC1 ZINC000419670319 535084387 /nfs/dbraw/zinc/08/43/87/535084387.db2.gz WTPITGBMQDWRAD-XHSDSOJGSA-N 2 0 350.507 0.810 20 0 FCADRP CCCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000423665342 535186425 /nfs/dbraw/zinc/18/64/25/535186425.db2.gz QOPCMCIKAUZGAD-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660092 535186677 /nfs/dbraw/zinc/18/66/77/535186677.db2.gz JNJQXJGOXWMJPT-NVXWUHKLSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419761129 535297666 /nfs/dbraw/zinc/29/76/66/535297666.db2.gz JTOBNLWTSNVMMH-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000419953842 535304844 /nfs/dbraw/zinc/30/48/44/535304844.db2.gz LNTAOOLOJJMEDF-MRXNPFEDSA-N 2 0 354.495 0.047 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419374059 535439248 /nfs/dbraw/zinc/43/92/48/535439248.db2.gz NQSNMICAJYICMU-GOSISDBHSA-N 2 0 372.513 0.802 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419591563 535477487 /nfs/dbraw/zinc/47/74/87/535477487.db2.gz RILYHERJUGVPTR-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423416265 535503721 /nfs/dbraw/zinc/50/37/21/535503721.db2.gz QGZSZGQSULLSQY-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423414935 535503757 /nfs/dbraw/zinc/50/37/57/535503757.db2.gz OFFFJSLHGRBYAB-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419745892 535507905 /nfs/dbraw/zinc/50/79/05/535507905.db2.gz AVIOVYRWNCAUQQ-OAHLLOKOSA-N 2 0 368.522 0.640 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423461899 535523243 /nfs/dbraw/zinc/52/32/43/535523243.db2.gz CZEXBAHDBKYQLP-UHFFFAOYSA-N 2 0 352.401 0.541 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423461253 535523284 /nfs/dbraw/zinc/52/32/84/535523284.db2.gz BWACURPEWRRIDB-CYBMUJFWSA-N 2 0 366.428 0.930 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423626529 535542016 /nfs/dbraw/zinc/54/20/16/535542016.db2.gz SMOHRMRQQYUKRK-MRXNPFEDSA-N 2 0 368.522 0.676 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423519887 535543164 /nfs/dbraw/zinc/54/31/64/535543164.db2.gz JOVHJLGLGXLRPV-HZPDHXFCSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423627275 535543315 /nfs/dbraw/zinc/54/33/15/535543315.db2.gz HDYWPCYSPRPYGH-JKSUJKDBSA-N 2 0 368.522 0.532 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@@](C)=O)CC1 ZINC000442714269 535594492 /nfs/dbraw/zinc/59/44/92/535594492.db2.gz JOGZYJDIBUAZLT-IZHWHUGBSA-N 2 0 358.552 0.955 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccnn1COC ZINC000440046302 535595045 /nfs/dbraw/zinc/59/50/45/535595045.db2.gz YAKPEJZIXMAQII-HNNXBMFYSA-N 2 0 373.523 0.524 20 0 FCADRP CCOCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419153016 535610306 /nfs/dbraw/zinc/61/03/06/535610306.db2.gz VIKWGHKIZJLPCN-UHFFFAOYSA-N 2 0 362.474 0.249 20 0 FCADRP CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630083 535703028 /nfs/dbraw/zinc/70/30/28/535703028.db2.gz ZHTLNJGKTFLORD-KRWDZBQOSA-N 2 0 360.506 0.979 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415301694 535749661 /nfs/dbraw/zinc/74/96/61/535749661.db2.gz BRQXXMGUQUTTOC-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000419650912 535839757 /nfs/dbraw/zinc/83/97/57/535839757.db2.gz CZVZTKJFTXLVDH-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423366895 535867496 /nfs/dbraw/zinc/86/74/96/535867496.db2.gz LRHVCQSOAMCMJC-AWEZNQCLSA-N 2 0 368.503 0.215 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423367463 535868220 /nfs/dbraw/zinc/86/82/20/535868220.db2.gz MLWZUGUQPWLCAO-UHFFFAOYSA-N 2 0 352.504 0.836 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000419639537 536028881 /nfs/dbraw/zinc/02/88/81/536028881.db2.gz JQTIRJJULXGQOT-OKZBNKHCSA-N 2 0 358.486 0.950 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419410212 536099825 /nfs/dbraw/zinc/09/98/25/536099825.db2.gz OHCPIKIVOBZKSL-ZWKOTPCHSA-N 2 0 358.486 0.889 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415318742 536416940 /nfs/dbraw/zinc/41/69/40/536416940.db2.gz RJLLMESQUHVAGN-KRWDZBQOSA-N 2 0 359.474 0.241 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423307356 536449410 /nfs/dbraw/zinc/44/94/10/536449410.db2.gz MZQIXRCMWMHJPP-QZTJIDSGSA-N 2 0 374.485 0.153 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H](C[NH3+])C1 ZINC000423683678 536651931 /nfs/dbraw/zinc/65/19/31/536651931.db2.gz WWVOFJMOLTVEJE-JKSUJKDBSA-N 2 0 368.522 0.532 20 0 FCADRP COC[C@]1(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360269 536654155 /nfs/dbraw/zinc/65/41/55/536654155.db2.gz QIWMYIKSWQTVEY-BXWFABGCSA-N 2 0 353.507 0.960 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419752181 536746425 /nfs/dbraw/zinc/74/64/25/536746425.db2.gz LTBMHAVUGDEXJL-GDBMZVCRSA-N 2 0 368.522 0.578 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419757237 536747202 /nfs/dbraw/zinc/74/72/02/536747202.db2.gz TZVQIWDQPJBRNU-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419841992 536775259 /nfs/dbraw/zinc/77/52/59/536775259.db2.gz KYCIIKVGYWVYPA-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000130603498 546539697 /nfs/dbraw/zinc/53/96/97/546539697.db2.gz YNCSYVOFQCRPRC-UHFFFAOYSA-N 2 0 352.483 0.528 20 0 FCADRP C[C@@H](NC(=O)N(C)CC(C)(C)CN1CCOCC1)[C@H]1CN(C)CCO1 ZINC000131659289 546570867 /nfs/dbraw/zinc/57/08/67/546570867.db2.gz OWOAWDFHKNSIRK-HZPDHXFCSA-N 2 0 356.511 0.705 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000948412880 674377180 /nfs/dbraw/zinc/37/71/80/674377180.db2.gz CMZKMRCUTDERLO-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CCOC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(F)c1 ZINC000593728978 546746720 /nfs/dbraw/zinc/74/67/20/546746720.db2.gz JVBHUJIFPDTPKQ-UHFFFAOYSA-N 2 0 361.439 0.691 20 0 FCADRP CC1(C)CC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC(C)(C)[NH2+]1 ZINC000594084542 546773715 /nfs/dbraw/zinc/77/37/15/546773715.db2.gz YBUZNURRAIVJOC-AWEZNQCLSA-N 2 0 353.511 0.935 20 0 FCADRP CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940188 546872226 /nfs/dbraw/zinc/87/22/26/546872226.db2.gz PCMFIQKZAVWGQG-LALPHHSUSA-N 2 0 354.476 0.720 20 0 FCADRP CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940187 546872519 /nfs/dbraw/zinc/87/25/19/546872519.db2.gz PCMFIQKZAVWGQG-JMSVASOKSA-N 2 0 354.476 0.720 20 0 FCADRP CC(C)OCCN1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401116 546922289 /nfs/dbraw/zinc/92/22/89/546922289.db2.gz WJYHPXNQMMNXNY-OAHLLOKOSA-N 2 0 350.467 0.385 20 0 FCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000641803580 546959716 /nfs/dbraw/zinc/95/97/16/546959716.db2.gz TXYALXZDFJKESZ-CVEARBPZSA-N 2 0 352.523 0.853 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000550094192 547077933 /nfs/dbraw/zinc/07/79/33/547077933.db2.gz DUKUQFNCFSPZQF-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000550714790 547098421 /nfs/dbraw/zinc/09/84/21/547098421.db2.gz GTNGBUGQEKOKKA-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550714791 547098884 /nfs/dbraw/zinc/09/88/84/547098884.db2.gz GTNGBUGQEKOKKA-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550835465 547110283 /nfs/dbraw/zinc/11/02/83/547110283.db2.gz MTFHUAXVCUDEKF-RDTXWAMCSA-N 2 0 370.563 0.729 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550946724 547116987 /nfs/dbraw/zinc/11/69/87/547116987.db2.gz XSYZIKOSAVZGQG-INIZCTEOSA-N 2 0 354.495 0.015 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000551020896 547119957 /nfs/dbraw/zinc/11/99/57/547119957.db2.gz UDZNMGKARWCKJY-UHFFFAOYSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000551048680 547122499 /nfs/dbraw/zinc/12/24/99/547122499.db2.gz LKDBGJXWAOGZLC-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000551063140 547123371 /nfs/dbraw/zinc/12/33/71/547123371.db2.gz LFUIXEANMMWTQS-MRXNPFEDSA-N 2 0 361.552 0.933 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210592 547134418 /nfs/dbraw/zinc/13/44/18/547134418.db2.gz GYDQNDFXIFLMAA-DYVFJYSZSA-N 2 0 358.552 0.632 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551217972 547135846 /nfs/dbraw/zinc/13/58/46/547135846.db2.gz ZSNXHMGDHVUYPJ-RVKKMQEKSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000551499700 547149245 /nfs/dbraw/zinc/14/92/45/547149245.db2.gz VWUIBRUBJBCXFA-YYIAUSFCSA-N 2 0 350.507 0.966 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000553615227 547293947 /nfs/dbraw/zinc/29/39/47/547293947.db2.gz GBTWPKXZIGCIOW-HOTGVXAUSA-N 2 0 356.511 0.402 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356759 547337599 /nfs/dbraw/zinc/33/75/99/547337599.db2.gz WFSRYXHSJOVMKG-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000950255679 674423460 /nfs/dbraw/zinc/42/34/60/674423460.db2.gz OXXDDRDWYQGRIC-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000950386325 674426675 /nfs/dbraw/zinc/42/66/75/674426675.db2.gz OKHVGUUDXHQPLU-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950674008 674433507 /nfs/dbraw/zinc/43/35/07/674433507.db2.gz QJFRJWLJGXXQNQ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838776 598761519 /nfs/dbraw/zinc/76/15/19/598761519.db2.gz MTUDJCUGRUETIG-QWRGUYRKSA-N 2 0 361.837 1.000 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000821810131 599428886 /nfs/dbraw/zinc/42/88/86/599428886.db2.gz WZAZVUWTNAFHNR-AWEZNQCLSA-N 2 0 359.478 0.848 20 0 FCADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)[C@H]1CCNC1=O ZINC000957716095 674551188 /nfs/dbraw/zinc/55/11/88/674551188.db2.gz TXGXCXKVGOYRJL-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989231253 665721113 /nfs/dbraw/zinc/72/11/13/665721113.db2.gz UPQUGONQZWNYFP-PMPSAXMXSA-N 2 0 350.507 0.918 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897650268 665759752 /nfs/dbraw/zinc/75/97/52/665759752.db2.gz HLOQRGIDWWNCHH-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000989995873 665836080 /nfs/dbraw/zinc/83/60/80/665836080.db2.gz AUOONYHRIDSDET-UXLLHSPISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924632286 665856561 /nfs/dbraw/zinc/85/65/61/665856561.db2.gz LYMPASVKAZDMOC-HNNXBMFYSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969701252 663189848 /nfs/dbraw/zinc/18/98/48/663189848.db2.gz ULEMFLQNOWQRBT-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC001021941731 663381002 /nfs/dbraw/zinc/38/10/02/663381002.db2.gz RUAINRVUTFSFNA-BHYGNILZSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC001022035326 663392671 /nfs/dbraw/zinc/39/26/71/663392671.db2.gz ITIRZPPXGIAWJK-YESZJQIVSA-N 2 0 350.507 0.728 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891484328 663409189 /nfs/dbraw/zinc/40/91/89/663409189.db2.gz UPXBQRWFUSNTRC-CVEARBPZSA-N 2 0 353.511 0.842 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000891514156 663410873 /nfs/dbraw/zinc/41/08/73/663410873.db2.gz MQYPKTALYJZRIR-NWDGAFQWSA-N 2 0 351.476 0.533 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891528257 663412255 /nfs/dbraw/zinc/41/22/55/663412255.db2.gz NYQZJLBBBDWTBC-AGIUHOORSA-N 2 0 351.417 0.401 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891534536 663412548 /nfs/dbraw/zinc/41/25/48/663412548.db2.gz CXKPOTJFEJEQJZ-SHTZXODSSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000891536849 663413023 /nfs/dbraw/zinc/41/30/23/663413023.db2.gz VYDZHRJSLSXSIA-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891564445 663415603 /nfs/dbraw/zinc/41/56/03/663415603.db2.gz NHCQFJKASLZYJX-IAGOWNOFSA-N 2 0 353.511 0.306 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891999598 663465361 /nfs/dbraw/zinc/46/53/61/663465361.db2.gz MGCSZVDFTWWWTF-IRXDYDNUSA-N 2 0 353.511 0.082 20 0 FCADRP [NH3+]CC[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(F)F ZINC000892153352 663482213 /nfs/dbraw/zinc/48/22/13/663482213.db2.gz YKKWFVIUERXTCS-KBPBESRZSA-N 2 0 363.453 0.065 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892174543 663485235 /nfs/dbraw/zinc/48/52/35/663485235.db2.gz FGIHXFUTROWWBK-ZACQAIPSSA-N 2 0 353.511 0.210 20 0 FCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295733 663523793 /nfs/dbraw/zinc/52/37/93/663523793.db2.gz SEVODTOZUPMFJM-ZACQAIPSSA-N 2 0 353.511 0.223 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)[NH+](C)C ZINC000972638333 663670188 /nfs/dbraw/zinc/67/01/88/663670188.db2.gz KCAFSVRWSPDARF-BZUAXINKSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001024446883 663943687 /nfs/dbraw/zinc/94/36/87/663943687.db2.gz KDFJUJFVTKNOSX-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000892481861 663961363 /nfs/dbraw/zinc/96/13/63/663961363.db2.gz SNVCLJDBFGWTHX-HUUCEWRRSA-N 2 0 353.511 0.794 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccnc(N3CCSCC3)c2)CCO1 ZINC000892514158 663996869 /nfs/dbraw/zinc/99/68/69/663996869.db2.gz XDHIMGXFQUMONT-ZFWWWQNUSA-N 2 0 365.503 0.892 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21)[NH+](C)C ZINC000972967247 664024846 /nfs/dbraw/zinc/02/48/46/664024846.db2.gz TUAUEQGHRRFZNE-BZUAXINKSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC000972967106 664025801 /nfs/dbraw/zinc/02/58/01/664025801.db2.gz QHUFKIOWOSDLLQ-VQHPVUNQSA-N 2 0 352.523 0.972 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH+](C)C ZINC000892585461 664044146 /nfs/dbraw/zinc/04/41/46/664044146.db2.gz JUDQSRWIKPTQNP-HSFUPAIVSA-N 3 0 351.539 0.898 20 0 FCADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892594262 664045567 /nfs/dbraw/zinc/04/55/67/664045567.db2.gz JESBARKSQVKESB-GOEBONIOSA-N 2 0 352.504 0.746 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCCC[N@H+]1CCO ZINC000892761392 664137883 /nfs/dbraw/zinc/13/78/83/664137883.db2.gz ZWDVSLBUQOQPBP-HZPDHXFCSA-N 2 0 354.495 0.291 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000892917837 664154386 /nfs/dbraw/zinc/15/43/86/664154386.db2.gz ANJFHPCENWHIFS-OAHLLOKOSA-N 2 0 353.511 0.570 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000893238703 664218521 /nfs/dbraw/zinc/21/85/21/664218521.db2.gz OZYQMCBBABELMU-INIZCTEOSA-N 2 0 355.527 0.016 20 0 FCADRP Cc1nnc(CNC2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)o1 ZINC001026514594 664239560 /nfs/dbraw/zinc/23/95/60/664239560.db2.gz KNNRDONUKFNQFJ-GALLPEHLSA-N 2 0 351.451 0.614 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnn(C)n3)CC2)O1 ZINC001026514344 664239574 /nfs/dbraw/zinc/23/95/74/664239574.db2.gz AUZXDXJDRFASJY-UWLZSVRSSA-N 2 0 350.467 0.051 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001026852339 664271032 /nfs/dbraw/zinc/27/10/32/664271032.db2.gz MGKMCKHVMUWAPB-QLFBSQMISA-N 2 0 352.458 0.526 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000975305671 664312165 /nfs/dbraw/zinc/31/21/65/664312165.db2.gz CIYZFQNYLNQNMF-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCSC1 ZINC000893418510 664356779 /nfs/dbraw/zinc/35/67/79/664356779.db2.gz YHVYPXXVJRLNMH-ZOBUZTSGSA-N 2 0 356.536 0.664 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001027416342 664396728 /nfs/dbraw/zinc/39/67/28/664396728.db2.gz FLDCSNGGBQOTCP-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978892375 664449426 /nfs/dbraw/zinc/44/94/26/664449426.db2.gz YGQWZFDPCHTJPC-UUAJXVIYSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000979857630 664464999 /nfs/dbraw/zinc/46/49/99/664464999.db2.gz CYQOBILPLJICCU-VIQHNZTISA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981686518 664835889 /nfs/dbraw/zinc/83/58/89/664835889.db2.gz NGCQEUSZVFNKOL-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282625 664864154 /nfs/dbraw/zinc/86/41/54/664864154.db2.gz DANOPPMFZWENDN-TZNWLIJBSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(CC)C3=O)C2)CC[N@@H+]1C ZINC000983713171 664985449 /nfs/dbraw/zinc/98/54/49/664985449.db2.gz GWIPFGVSICTLEA-SMLCLMEVSA-N 2 0 350.507 0.822 20 0 FCADRP CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000984016224 665014121 /nfs/dbraw/zinc/01/41/21/665014121.db2.gz TVHYPHKACPDLMM-IXYNUQLISA-N 2 0 350.467 0.002 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896450116 665085097 /nfs/dbraw/zinc/08/50/97/665085097.db2.gz HXLLCBKFVWGYKZ-OAHLLOKOSA-N 2 0 351.491 0.714 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986483101 665215461 /nfs/dbraw/zinc/21/54/61/665215461.db2.gz QMHBGTUWCQDUKP-LTIDMASMSA-N 2 0 350.507 0.728 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897433240 665258670 /nfs/dbraw/zinc/25/86/70/665258670.db2.gz SPCFFPCJIRZPOU-MRXNPFEDSA-N 2 0 353.511 0.524 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000988099848 665275523 /nfs/dbraw/zinc/27/55/23/665275523.db2.gz XQLALKRUDPKLGX-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]C[C@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353752 666018302 /nfs/dbraw/zinc/01/83/02/666018302.db2.gz JKZHKZNTLFLUMJ-FUHWJXTLSA-N 2 0 351.447 0.320 20 0 FCADRP C[NH+]1CCC(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000905521737 666027111 /nfs/dbraw/zinc/02/71/11/666027111.db2.gz FECVQLAIQRQOPW-UHFFFAOYSA-N 2 0 367.563 0.761 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000906358356 666052310 /nfs/dbraw/zinc/05/23/10/666052310.db2.gz HMIQVQXONDDSAQ-MWDXBVQZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000906813480 666069121 /nfs/dbraw/zinc/06/91/21/666069121.db2.gz DGYBUTHPPAATKE-INIZCTEOSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000907515697 666140663 /nfs/dbraw/zinc/14/06/63/666140663.db2.gz CLYOGPYLQXLHAR-QZTJIDSGSA-N 2 0 354.539 0.706 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000910985403 666302060 /nfs/dbraw/zinc/30/20/60/666302060.db2.gz XNRQVURGOQXGLC-HRCADAONSA-N 2 0 350.507 0.953 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911253839 666329850 /nfs/dbraw/zinc/32/98/50/666329850.db2.gz BIRQMFUSHSKAQE-AWEZNQCLSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000912538056 666452523 /nfs/dbraw/zinc/45/25/23/666452523.db2.gz OHBWGPLANKZLEH-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000938609037 666474714 /nfs/dbraw/zinc/47/47/14/666474714.db2.gz ILDKEGXFVVRWTP-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992696 666490533 /nfs/dbraw/zinc/49/05/33/666490533.db2.gz KTXWWHULORPCFQ-LPHOPBHVSA-N 2 0 353.507 0.840 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992698 666490539 /nfs/dbraw/zinc/49/05/39/666490539.db2.gz KTXWWHULORPCFQ-VQIMIIECSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884142 666530792 /nfs/dbraw/zinc/53/07/92/666530792.db2.gz BBOOUISXEOXQEQ-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886784 666531037 /nfs/dbraw/zinc/53/10/37/666531037.db2.gz ACCGDVDFKZMTPC-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000941220038 666594075 /nfs/dbraw/zinc/59/40/75/666594075.db2.gz KYAJMXSTFUXCGM-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942816199 666751217 /nfs/dbraw/zinc/75/12/17/666751217.db2.gz PWKRGJROMBSCAN-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)[NH+](C)C ZINC000992949445 666763517 /nfs/dbraw/zinc/76/35/17/666763517.db2.gz UCJKFHDZFDIXMB-TXPKVOOTSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000943268408 666767868 /nfs/dbraw/zinc/76/78/68/666767868.db2.gz BEBLDZASBVLBIR-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000996602482 666943315 /nfs/dbraw/zinc/94/33/15/666943315.db2.gz JBADVMOUWGBHOK-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996602884 666943331 /nfs/dbraw/zinc/94/33/31/666943331.db2.gz IERQELMQLTXLFY-BHYGNILZSA-N 2 0 371.547 0.732 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734242770 666958319 /nfs/dbraw/zinc/95/83/19/666958319.db2.gz LKAFTWMUJAOXLB-GOSISDBHSA-N 2 0 352.523 0.774 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276471 666959045 /nfs/dbraw/zinc/95/90/45/666959045.db2.gz CYENDMCNCZNBEW-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994033601 666964638 /nfs/dbraw/zinc/96/46/38/666964638.db2.gz RYNLATOGVGPPRN-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP C[NH+](C)CCCNC(=S)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000916014903 666986901 /nfs/dbraw/zinc/98/69/01/666986901.db2.gz QXKHKWOEKNGSOR-UHFFFAOYSA-N 2 0 350.536 0.749 20 0 FCADRP Cc1ncsc1CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001032473346 667150652 /nfs/dbraw/zinc/15/06/52/667150652.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 0 364.515 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000997787403 667176088 /nfs/dbraw/zinc/17/60/88/667176088.db2.gz ZQQFUDSFYMAWPK-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(NC(=S)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000920309785 667235048 /nfs/dbraw/zinc/23/50/48/667235048.db2.gz MICIQVWHCMMWJH-UHFFFAOYSA-N 2 0 362.547 0.892 20 0 FCADRP C[NH+](C)CCCNC(=S)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000921145040 667270587 /nfs/dbraw/zinc/27/05/87/667270587.db2.gz VYNAFAOHOAEQHD-UHFFFAOYSA-N 2 0 350.536 0.749 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001002246388 667526768 /nfs/dbraw/zinc/52/67/68/667526768.db2.gz OQVYKNFZFCECBU-RHSMWYFYSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922348675 667642467 /nfs/dbraw/zinc/64/24/67/667642467.db2.gz ZFMLZMBWILCZLU-SFHVURJKSA-N 2 0 352.523 0.631 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001033100217 667673517 /nfs/dbraw/zinc/67/35/17/667673517.db2.gz VONQCRHCHXVCLJ-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001005407257 667740370 /nfs/dbraw/zinc/74/03/70/667740370.db2.gz OJAPSZRHPKEVRX-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001005414328 667740533 /nfs/dbraw/zinc/74/05/33/667740533.db2.gz FMPFNFLYRIDQPO-BBWFWOEESA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186466 667775463 /nfs/dbraw/zinc/77/54/63/667775463.db2.gz CYUCGXZHYGFTCQ-OAGGEKHMSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923283065 667821708 /nfs/dbraw/zinc/82/17/08/667821708.db2.gz ZNFBIRXTTXHRIP-KBPBESRZSA-N 2 0 355.866 0.867 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380564 667829406 /nfs/dbraw/zinc/82/94/06/667829406.db2.gz OXMHDHFMLIEOAJ-IXDOHACOSA-N 2 0 354.495 0.240 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000946916373 667847947 /nfs/dbraw/zinc/84/79/47/667847947.db2.gz WMXSERDIYVEDKH-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000739020058 667935379 /nfs/dbraw/zinc/93/53/79/667935379.db2.gz CFADZUQVDTXQIJ-SJORKVTESA-N 2 0 354.495 0.650 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000743304028 668046742 /nfs/dbraw/zinc/04/67/42/668046742.db2.gz YFKDTPOWTIXRMI-QGZVFWFLSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787121190 668788417 /nfs/dbraw/zinc/78/84/17/668788417.db2.gz DULWUNKSMSPNBY-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CSCCN1C(=O)C[NH+]1CCCC1 ZINC000821497977 669200516 /nfs/dbraw/zinc/20/05/16/669200516.db2.gz STSGTMOGRQSNSR-HNNXBMFYSA-N 2 0 354.520 0.238 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN(C)C(=O)OC ZINC000822789393 669294499 /nfs/dbraw/zinc/29/44/99/669294499.db2.gz GLLUSZFERSXUKP-OAHLLOKOSA-N 2 0 357.499 0.742 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000822962050 669309639 /nfs/dbraw/zinc/30/96/39/669309639.db2.gz PULYRBZCVKDZIE-CVEARBPZSA-N 2 0 354.495 0.602 20 0 FCADRP CC[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1)C(N)=O ZINC000963823287 675008444 /nfs/dbraw/zinc/00/84/44/675008444.db2.gz BIMHKFWRGFHFQI-CUKQXQEQSA-N 2 0 350.507 0.998 20 0 FCADRP CSC1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+](C)CC1 ZINC000811876806 669776848 /nfs/dbraw/zinc/77/68/48/669776848.db2.gz ZZVZHYXGRGVGRM-HUUCEWRRSA-N 2 0 356.536 0.976 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000965950299 675113791 /nfs/dbraw/zinc/11/37/91/675113791.db2.gz FWDWNUBTJVRBFR-KLHDSHLOSA-N 2 0 354.495 0.153 20 0 FCADRP CC(C)COC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000841006678 670531350 /nfs/dbraw/zinc/53/13/50/670531350.db2.gz HKELSDIEKHDMSO-MRXNPFEDSA-N 2 0 354.495 0.984 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000843260647 670789569 /nfs/dbraw/zinc/78/95/69/670789569.db2.gz YQJGXGRCMTXFFA-UHFFFAOYSA-N 2 0 354.495 0.383 20 0 FCADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843346424 670802797 /nfs/dbraw/zinc/80/27/97/670802797.db2.gz GULDFBQOQWALKW-ZDUSSCGKSA-N 2 0 351.451 0.333 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355054 670804994 /nfs/dbraw/zinc/80/49/94/670804994.db2.gz KVAPMFYUQATZJW-UHFFFAOYSA-N 2 0 354.476 0.783 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000844162621 670902501 /nfs/dbraw/zinc/90/25/01/670902501.db2.gz BHDWVEAXZMTPSU-KRWDZBQOSA-N 2 0 350.507 0.923 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000967850306 675164211 /nfs/dbraw/zinc/16/42/11/675164211.db2.gz SKQPAPLUGHJVHX-BBWFWOEESA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646258 671134590 /nfs/dbraw/zinc/13/45/90/671134590.db2.gz BFLXJZGQPNJDGP-GJZGRUSLSA-N 2 0 352.479 0.461 20 0 FCADRP C[NH+]1CCC(ONC(=O)CCCC(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000846646948 671135009 /nfs/dbraw/zinc/13/50/09/671135009.db2.gz OGKMCVYRMPQITH-UHFFFAOYSA-N 2 0 356.467 0.441 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000968009725 675177568 /nfs/dbraw/zinc/17/75/68/675177568.db2.gz AFCSZRSWCXJTAI-RHSMWYFYSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000853347848 671546664 /nfs/dbraw/zinc/54/66/64/671546664.db2.gz RSUVFKQMRQTFDK-HZPDHXFCSA-N 2 0 355.527 0.768 20 0 FCADRP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521935 675938065 /nfs/dbraw/zinc/93/80/65/675938065.db2.gz IMBLQCNHRXTOOQ-KDOFPFPSSA-N 2 0 364.515 0.909 20 0 FCADRP O=C1[C@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574472 672139882 /nfs/dbraw/zinc/13/98/82/672139882.db2.gz JICZJEIGWFGYQY-ZWKOTPCHSA-N 2 0 351.491 0.857 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C)cc2F)CC1 ZINC000868246820 672390293 /nfs/dbraw/zinc/39/02/93/672390293.db2.gz XLDARKATIFKKFE-UHFFFAOYSA-N 2 0 351.426 0.242 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])cc2F)CC1 ZINC000868249094 672390481 /nfs/dbraw/zinc/39/04/81/672390481.db2.gz VBBRJTGSBNAMDD-GFCCVEGCSA-N 2 0 351.426 0.370 20 0 FCADRP CSCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055510803 676021879 /nfs/dbraw/zinc/02/18/79/676021879.db2.gz PUVOCTUXSQRKDI-UKRRQHHQSA-N 2 0 356.536 0.386 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC001001409203 676071195 /nfs/dbraw/zinc/07/11/95/676071195.db2.gz VKGIJDVBQXQVOK-MSOLQXFVSA-N 2 0 353.507 0.554 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001001419380 676071531 /nfs/dbraw/zinc/07/15/31/676071531.db2.gz UGZUUCOGQXDRSO-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000876780492 672979746 /nfs/dbraw/zinc/97/97/46/672979746.db2.gz GYOUPVGITGQGEZ-UHFFFAOYSA-N 2 0 351.520 0.896 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876928611 672988331 /nfs/dbraw/zinc/98/83/31/672988331.db2.gz KUIKLMFPQUQHNM-UHFFFAOYSA-N 2 0 354.520 0.841 20 0 FCADRP O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[NH2+]CC1 ZINC000923653919 672988680 /nfs/dbraw/zinc/98/86/80/672988680.db2.gz CDODWPGGBCDZDL-UHFFFAOYSA-N 2 0 353.492 0.033 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC001051624242 676107139 /nfs/dbraw/zinc/10/71/39/676107139.db2.gz OCPMVRUSTPGAPT-VHDGCEQUSA-N 2 0 353.492 0.585 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC001052031266 676113074 /nfs/dbraw/zinc/11/30/74/676113074.db2.gz IPGWFKKLMZAFFP-FGTMMUONSA-N 2 0 352.523 0.318 20 0 FCADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883178339 673368454 /nfs/dbraw/zinc/36/84/54/673368454.db2.gz URCTXTXMSBNEBL-OAHLLOKOSA-N 2 0 351.495 0.596 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883178338 673368621 /nfs/dbraw/zinc/36/86/21/673368621.db2.gz URCTXTXMSBNEBL-HNNXBMFYSA-N 2 0 351.495 0.596 20 0 FCADRP COC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCCOC1 ZINC000883371527 673371930 /nfs/dbraw/zinc/37/19/30/673371930.db2.gz OBRXIYFXVHLXHD-FHWLQOOXSA-N 2 0 355.523 0.814 20 0 FCADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416441 673374383 /nfs/dbraw/zinc/37/43/83/673374383.db2.gz VBIRJHVYRCIUIH-IRXDYDNUSA-N 2 0 351.491 0.858 20 0 FCADRP O=C([C@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416439 673374465 /nfs/dbraw/zinc/37/44/65/673374465.db2.gz VBIRJHVYRCIUIH-DLBZAZTESA-N 2 0 351.491 0.858 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883458352 673376887 /nfs/dbraw/zinc/37/68/87/673376887.db2.gz GIMYVVKQMNDCMT-QGZVFWFLSA-N 2 0 356.511 0.897 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883458351 673376954 /nfs/dbraw/zinc/37/69/54/673376954.db2.gz GIMYVVKQMNDCMT-KRWDZBQOSA-N 2 0 356.511 0.897 20 0 FCADRP [NH3+][C@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884005627 673409651 /nfs/dbraw/zinc/40/96/51/673409651.db2.gz OPRSWNCRJQUZHD-AWEZNQCLSA-N 2 0 355.280 0.860 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884502367 673457602 /nfs/dbraw/zinc/45/76/02/673457602.db2.gz INNPVEWGGJILBY-NXOAAHMSSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884555657 673461904 /nfs/dbraw/zinc/46/19/04/673461904.db2.gz WXGPGCPFPJMENM-MUKKUYKPSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884631805 673467977 /nfs/dbraw/zinc/46/79/77/673467977.db2.gz YKZCFQTUKYHQTR-BEFAXECRSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000884638953 673468724 /nfs/dbraw/zinc/46/87/24/673468724.db2.gz MUSNEMUYKZQVPS-KBPBESRZSA-N 2 0 354.520 0.412 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884658843 673470437 /nfs/dbraw/zinc/47/04/37/673470437.db2.gz AGXJBLYIGZLTNQ-NEPJUHHUSA-N 2 0 352.401 0.430 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000884669854 673471146 /nfs/dbraw/zinc/47/11/46/673471146.db2.gz IGHRBRZEWUEXHT-JHJVBQTASA-N 2 0 364.412 0.430 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705837 673475002 /nfs/dbraw/zinc/47/50/02/673475002.db2.gz JHLKNKGCLAEACJ-CZJPOVKDSA-N 2 0 354.495 0.595 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000884775877 673481266 /nfs/dbraw/zinc/48/12/66/673481266.db2.gz KUXJDGUDVYRSEV-MELADBBJSA-N 2 0 358.433 0.481 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884808528 673483503 /nfs/dbraw/zinc/48/35/03/673483503.db2.gz VOBRNGGJOHFMRJ-UHFFFAOYSA-N 2 0 354.495 0.237 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[NH2+]C1 ZINC000884876124 673487567 /nfs/dbraw/zinc/48/75/67/673487567.db2.gz VTAKPOYEPWZEMJ-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884876933 673487933 /nfs/dbraw/zinc/48/79/33/673487933.db2.gz PYUBWXRDGASOLJ-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911490 673490888 /nfs/dbraw/zinc/49/08/88/673490888.db2.gz NXEZTHBHXHZRMO-JYJNAYRXSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885009844 673497568 /nfs/dbraw/zinc/49/75/68/673497568.db2.gz DVYPPLBNGPPRAS-WCXIOVBPSA-N 2 0 350.507 0.727 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885012685 673497909 /nfs/dbraw/zinc/49/79/09/673497909.db2.gz ITIGZBKXKBLOTR-MUJYYYPQSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887078844 673620551 /nfs/dbraw/zinc/62/05/51/673620551.db2.gz FAVQAWBJHWNUMO-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749504 673685036 /nfs/dbraw/zinc/68/50/36/673685036.db2.gz IGPXJNRRCNHWLW-ZWKOTPCHSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000924966681 673771442 /nfs/dbraw/zinc/77/14/42/673771442.db2.gz TVOSMIDDQBJUFI-HOTGVXAUSA-N 2 0 356.511 0.848 20 0 FCADRP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444019 673792412 /nfs/dbraw/zinc/79/24/12/673792412.db2.gz AYMFCLGLOLATQL-CVEARBPZSA-N 2 0 350.463 0.646 20 0 FCADRP O=S(=O)(N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1)C(F)(F)F ZINC000925549004 673793816 /nfs/dbraw/zinc/79/38/16/673793816.db2.gz JVIQPNXFDOJZSU-WXDOIIRRSA-N 2 0 353.410 0.886 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925570057 673793965 /nfs/dbraw/zinc/79/39/65/673793965.db2.gz UTGVLQPRYMDODS-KISNFGTJSA-N 2 0 369.531 0.546 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000927633757 673871849 /nfs/dbraw/zinc/87/18/49/673871849.db2.gz CLAMSNCWWRHSQK-UXLLHSPISA-N 2 0 354.495 0.336 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001007370172 675288114 /nfs/dbraw/zinc/28/81/14/675288114.db2.gz WQOAUJMLGGKLIB-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001007982037 675305143 /nfs/dbraw/zinc/30/51/43/675305143.db2.gz AYDCTCCCMIPJEP-MKSNKDDYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001011211123 675377477 /nfs/dbraw/zinc/37/74/77/675377477.db2.gz YNTAYKNRTMGSOB-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001042750449 675543417 /nfs/dbraw/zinc/54/34/17/675543417.db2.gz ZKLFEVZWDQTJGJ-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001045443360 675653673 /nfs/dbraw/zinc/65/36/73/675653673.db2.gz MIXMKLJZPHZFII-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001045443329 675653793 /nfs/dbraw/zinc/65/37/93/675653793.db2.gz LBHDOOUTAXVTAH-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900686909 675707542 /nfs/dbraw/zinc/70/75/42/675707542.db2.gz PJPYKLASJKBFFB-SFHVURJKSA-N 2 0 353.555 0.545 20 0 FCADRP C[NH+](C)CCCN(C(=O)CNc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000900982247 675737144 /nfs/dbraw/zinc/73/71/44/675737144.db2.gz VQUNOMUXOJBMKC-AWEZNQCLSA-N 2 0 354.476 0.461 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075906767 1192182167 /nfs/dbraw/zinc/18/21/67/1192182167.db2.gz YTVXUMMCQQDNAQ-YESZJQIVSA-N 2 0 363.506 0.419 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897484449 1192184418 /nfs/dbraw/zinc/18/44/18/1192184418.db2.gz PLSIWTOKVFKJKV-HZPDHXFCSA-N 2 0 371.485 0.719 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000969705707 1168068125 /nfs/dbraw/zinc/06/81/25/1168068125.db2.gz ATYFMPKARCKDED-CWRNSKLLSA-N 2 0 364.490 0.302 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3CN(CCn4cccn4)C[C@@H]32)C1 ZINC001083192728 1168164583 /nfs/dbraw/zinc/16/45/83/1168164583.db2.gz MPXYQSXGNGLZPE-DLBZAZTESA-N 2 0 361.490 0.527 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001167096207 1168207631 /nfs/dbraw/zinc/20/76/31/1168207631.db2.gz WMNPPVBISSUGOC-UAGQMJEPSA-N 2 0 371.489 0.712 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001719580924 1168436275 /nfs/dbraw/zinc/43/62/75/1168436275.db2.gz NLKIDGOWPBHBHA-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083198462 1168467579 /nfs/dbraw/zinc/46/75/79/1168467579.db2.gz WJRXQCYNDBUIFY-ZAWLATJESA-N 2 0 374.485 0.862 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112481472 1168510224 /nfs/dbraw/zinc/51/02/24/1168510224.db2.gz NMRWKPVECNNHIH-OOOMTDJDSA-N 2 0 363.502 0.450 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC001670516543 1169520376 /nfs/dbraw/zinc/52/03/76/1169520376.db2.gz BYBAMGDBLRDCLY-UHFFFAOYSA-N 2 0 365.526 0.982 20 0 FCADRP CC(C)N(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482731224 1192374923 /nfs/dbraw/zinc/37/49/23/1192374923.db2.gz QBQYJBPSUIGRTC-BZUAXINKSA-N 2 0 356.511 0.039 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC001021703000 1169897563 /nfs/dbraw/zinc/89/75/63/1169897563.db2.gz VMLPHADRWJHSGL-OKZBNKHCSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356187 1170005367 /nfs/dbraw/zinc/00/53/67/1170005367.db2.gz RLYKNFWJUDRQFA-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CCC1 ZINC001021941090 1170328872 /nfs/dbraw/zinc/32/88/72/1170328872.db2.gz FLPBAYRODCQKDH-FUHWJXTLSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038355 1170455839 /nfs/dbraw/zinc/45/58/39/1170455839.db2.gz OFNSGHKHOCIIEI-BPQIPLTHSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104363735 1170490105 /nfs/dbraw/zinc/49/01/05/1170490105.db2.gz FDWZMWURUWVHAA-MGPQQGTHSA-N 2 0 369.510 0.374 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC000971569803 1170547167 /nfs/dbraw/zinc/54/71/67/1170547167.db2.gz XVMSTWNYMMDZKK-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022217308 1170765666 /nfs/dbraw/zinc/76/56/66/1170765666.db2.gz JYQIKBAHPLFSAX-YESZJQIVSA-N 2 0 360.502 0.483 20 0 FCADRP COCCC1(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[NH2+]CC1 ZINC000891695280 1170819406 /nfs/dbraw/zinc/81/94/06/1170819406.db2.gz XEKZUCDLSOBSNW-IRXDYDNUSA-N 2 0 368.522 0.822 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000891714379 1170833336 /nfs/dbraw/zinc/83/33/36/1170833336.db2.gz OSMNUQNOQCTSDL-INIZCTEOSA-N 2 0 360.506 0.974 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266868511 1170840489 /nfs/dbraw/zinc/84/04/89/1170840489.db2.gz WYFPUEJVNSDTHF-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001691268501 1171002719 /nfs/dbraw/zinc/00/27/19/1171002719.db2.gz RFADSNLNKXUSJD-HRCADAONSA-N 2 0 371.547 0.637 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000891880685 1171039634 /nfs/dbraw/zinc/03/96/34/1171039634.db2.gz MCQSIYVSESADFR-MRXNPFEDSA-N 2 0 367.538 0.470 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)[C@H](CNCc2nncn2C)C1 ZINC001087183525 1171065108 /nfs/dbraw/zinc/06/51/08/1171065108.db2.gz UYUUUMRGIVLMQS-VYDXJSESSA-N 2 0 371.489 0.991 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001691324813 1171098755 /nfs/dbraw/zinc/09/87/55/1171098755.db2.gz WJPARDIRSIHIDH-ZYHUDNBSSA-N 2 0 354.480 0.173 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000988772887 1192460492 /nfs/dbraw/zinc/46/04/92/1192460492.db2.gz TZPDFICAODXBDK-SYNHAJSKSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022720014 1171812308 /nfs/dbraw/zinc/81/23/08/1171812308.db2.gz DXDFGQSCAAIENZ-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022746225 1171852408 /nfs/dbraw/zinc/85/24/08/1171852408.db2.gz JFRPJUADWIKARP-LFDJNIOPSA-N 2 0 370.497 0.847 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000972242562 1171880587 /nfs/dbraw/zinc/88/05/87/1171880587.db2.gz KQICGQLYJUQNEL-RVKKMQEKSA-N 2 0 371.485 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972246221 1171882231 /nfs/dbraw/zinc/88/22/31/1171882231.db2.gz MJXACGMAADRISA-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC000972243821 1171883242 /nfs/dbraw/zinc/88/32/42/1171883242.db2.gz YTVMCJQASADYMH-IXDOHACOSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)C1 ZINC000972243789 1171883595 /nfs/dbraw/zinc/88/35/95/1171883595.db2.gz YCFITJVECKJPBT-JFIYKMOQSA-N 2 0 367.453 0.959 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249664 1172027152 /nfs/dbraw/zinc/02/71/52/1172027152.db2.gz QSAGHOSSWMTJTM-IXDOHACOSA-N 2 0 363.502 0.809 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000989023368 1192629649 /nfs/dbraw/zinc/62/96/49/1192629649.db2.gz CRJIILRHOISYMK-CVEARBPZSA-N 2 0 360.502 0.816 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000989065004 1192669191 /nfs/dbraw/zinc/66/91/91/1192669191.db2.gz MFPRTRVSZAWSLW-PVAVHDDUSA-N 2 0 360.502 0.530 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547739 1192869921 /nfs/dbraw/zinc/86/99/21/1192869921.db2.gz MWMUMTOMDFMPEX-IKGGRYGDSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001691570547 1192887462 /nfs/dbraw/zinc/88/74/62/1192887462.db2.gz JEKIKKCLFLJXOG-FGTMMUONSA-N 2 0 355.523 0.752 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691441104 1179077763 /nfs/dbraw/zinc/07/77/63/1179077763.db2.gz YPTWIDTXKWJVLF-XPABHHOTSA-N 2 0 367.494 0.045 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000892369728 1179871780 /nfs/dbraw/zinc/87/17/80/1179871780.db2.gz JHJKEYXDPHMAHU-IAGOWNOFSA-N 2 0 358.490 0.679 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC000972738710 1180683856 /nfs/dbraw/zinc/68/38/56/1180683856.db2.gz FMBNQJLPDYFQNM-SZVBFZGTSA-N 2 0 362.518 0.870 20 0 FCADRP CN1CCO[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000081396006 1180748976 /nfs/dbraw/zinc/74/89/76/1180748976.db2.gz RTYNVZZAXPLBQC-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001024492029 1181239614 /nfs/dbraw/zinc/23/96/14/1181239614.db2.gz AIJOSSFQEVDFSY-IXDOHACOSA-N 2 0 371.441 0.349 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001024503379 1181253580 /nfs/dbraw/zinc/25/35/80/1181253580.db2.gz BWURIXKLQSRHPG-BRWVUGGUSA-N 2 0 371.441 0.120 20 0 FCADRP Cc1nnc([C@H](C)N2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111939736 1181545839 /nfs/dbraw/zinc/54/58/39/1181545839.db2.gz PKYBISPLNYSEGZ-YEWWUXTCSA-N 2 0 365.478 0.988 20 0 FCADRP C[C@]1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCNC1=O ZINC000892545824 1181852741 /nfs/dbraw/zinc/85/27/41/1181852741.db2.gz ZAZRWGVAVHULBO-SFHVURJKSA-N 2 0 360.462 0.172 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892583559 1181892810 /nfs/dbraw/zinc/89/28/10/1181892810.db2.gz BZZRXBFKFWXTQH-OHQCYIMMSA-N 2 0 363.462 0.094 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354694 /nfs/dbraw/zinc/35/46/94/1182354694.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 0 359.470 0.819 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892788109 1182506596 /nfs/dbraw/zinc/50/65/96/1182506596.db2.gz BJLDWOVTFOJBGF-QZTJIDSGSA-N 2 0 373.501 0.730 20 0 FCADRP CNc1nc(N2CC[C@H](C[NH+](C)C)C2)nc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000549176459 1182526923 /nfs/dbraw/zinc/52/69/23/1182526923.db2.gz NNCBLVZACTWCBY-HUUCEWRRSA-N 2 0 362.526 0.111 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104809245 1182928631 /nfs/dbraw/zinc/92/86/31/1182928631.db2.gz CGIXMKICAIDHDN-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104874046 1182969240 /nfs/dbraw/zinc/96/92/40/1182969240.db2.gz MGVWQZOTMHLDFD-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104917032 1182991993 /nfs/dbraw/zinc/99/19/93/1182991993.db2.gz NOXBUHGUVGMHQP-RBSFLKMASA-N 2 0 361.490 0.970 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104912386 1182992420 /nfs/dbraw/zinc/99/24/20/1182992420.db2.gz RDFVJRGTWZKHTQ-IAGOWNOFSA-N 2 0 364.534 0.929 20 0 FCADRP CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001104914053 1182993119 /nfs/dbraw/zinc/99/31/19/1182993119.db2.gz SCFRSJRKIGFELV-HZPDHXFCSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104967204 1183026460 /nfs/dbraw/zinc/02/64/60/1183026460.db2.gz NBFYWOPBOBILIS-HZPDHXFCSA-N 2 0 359.478 0.719 20 0 FCADRP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1C ZINC001105008022 1183065400 /nfs/dbraw/zinc/06/54/00/1183065400.db2.gz MHOBSIZXDHYMQF-OAGGEKHMSA-N 2 0 362.522 0.903 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001105014733 1183069227 /nfs/dbraw/zinc/06/92/27/1183069227.db2.gz ZMGQXBBZZRQJRK-HZPDHXFCSA-N 2 0 364.490 0.305 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014383 1183069306 /nfs/dbraw/zinc/06/93/06/1183069306.db2.gz MWLQKUKHKNQPIR-IAGOWNOFSA-N 2 0 368.522 0.309 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)C1 ZINC001105042267 1183090092 /nfs/dbraw/zinc/09/00/92/1183090092.db2.gz UKZMINLUYGWLOA-KZNAEPCWSA-N 2 0 363.506 0.678 20 0 FCADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)C1 ZINC001105042170 1183090194 /nfs/dbraw/zinc/09/01/94/1183090194.db2.gz QSNIGRCBSKHVPU-KURKYZTESA-N 2 0 371.522 0.444 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067119 1183099449 /nfs/dbraw/zinc/09/94/49/1183099449.db2.gz NLXZGXPKIZGWFB-SJLPKXTDSA-N 2 0 370.538 0.554 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001267837912 1183100669 /nfs/dbraw/zinc/10/06/69/1183100669.db2.gz XXLDOEZSVQBIEG-ZIAGYGMSSA-N 2 0 367.494 0.191 20 0 FCADRP CC[C@@H](C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1)OC ZINC001105244415 1183153956 /nfs/dbraw/zinc/15/39/56/1183153956.db2.gz WBFWYKIDHYNFLE-XOKHGSTOSA-N 2 0 364.494 0.516 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587421 1183354883 /nfs/dbraw/zinc/35/48/83/1183354883.db2.gz ZNKUNOJEXAYBDU-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974582765 1183362577 /nfs/dbraw/zinc/36/25/77/1183362577.db2.gz DRNNROIXFMIWQU-GVDBMIGSSA-N 2 0 360.502 0.483 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026852166 1183413200 /nfs/dbraw/zinc/41/32/00/1183413200.db2.gz LPBWXSYVLXNPKU-QLFBSQMISA-N 2 0 365.478 0.537 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001026852170 1183413372 /nfs/dbraw/zinc/41/33/72/1183413372.db2.gz LRHADRDPHNXBPZ-BZUAXINKSA-N 2 0 360.506 0.893 20 0 FCADRP Cn1c(Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cc(=O)n(C)c1=O ZINC001167774542 1185804917 /nfs/dbraw/zinc/80/49/17/1185804917.db2.gz FLAJRYTUTRANLP-UHFFFAOYSA-N 2 0 357.458 0.998 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592958972 1185836910 /nfs/dbraw/zinc/83/69/10/1185836910.db2.gz BKKRSBLKTAYEME-GOEBONIOSA-N 2 0 363.506 0.884 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000978982092 1186042959 /nfs/dbraw/zinc/04/29/59/1186042959.db2.gz QFJKVCGXHNARAU-SLBVQIDZSA-N 2 0 359.474 0.866 20 0 FCADRP COc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242381 /nfs/dbraw/zinc/24/23/81/1186242381.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 0 362.474 0.890 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC000981199867 1186348741 /nfs/dbraw/zinc/34/87/41/1186348741.db2.gz DUFXYNPCRBKEEM-FGTMMUONSA-N 2 0 363.506 0.509 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000981650306 1186472819 /nfs/dbraw/zinc/47/28/19/1186472819.db2.gz AWWDKDRUGDIICK-DOTOQJQBSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001211720783 1187466246 /nfs/dbraw/zinc/46/62/46/1187466246.db2.gz OYJAIDUGWOVVNO-YTQUADARSA-N 2 0 370.497 0.801 20 0 FCADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCNC(=O)C1 ZINC000893764651 1187514994 /nfs/dbraw/zinc/51/49/94/1187514994.db2.gz SPLPQRFTGVBRQM-IBGZPJMESA-N 2 0 359.474 0.626 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893867860 1187519160 /nfs/dbraw/zinc/51/91/60/1187519160.db2.gz RWAGCPBORUPAMN-MSOLQXFVSA-N 2 0 367.538 0.253 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001028552135 1187605009 /nfs/dbraw/zinc/60/50/09/1187605009.db2.gz HPTKKSBQKDKYPM-OWCLPIDISA-N 2 0 366.485 0.916 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482101999 1187616831 /nfs/dbraw/zinc/61/68/31/1187616831.db2.gz IDKYMYIMIGVMSM-RBSFLKMASA-N 2 0 369.510 0.150 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1noc2c1COCC2 ZINC001482101841 1187616940 /nfs/dbraw/zinc/61/69/40/1187616940.db2.gz HJVRAARNGVZLIM-BFHYXJOUSA-N 2 0 350.463 0.929 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000983004543 1187812813 /nfs/dbraw/zinc/81/28/13/1187812813.db2.gz HZOMHSPMYPHURU-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001270061587 1187985720 /nfs/dbraw/zinc/98/57/20/1187985720.db2.gz KWVLVEWBPYPGLV-OAHLLOKOSA-N 2 0 362.478 0.183 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)O2)CC1 ZINC001270095010 1188006780 /nfs/dbraw/zinc/00/67/80/1188006780.db2.gz GLBLUTPIPCZHCM-INIZCTEOSA-N 2 0 364.490 0.053 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCCn2ccnc2)CC1 ZINC001270155612 1188033522 /nfs/dbraw/zinc/03/35/22/1188033522.db2.gz PSJJVQHRPRQTSC-HOTGVXAUSA-N 2 0 359.474 0.722 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)CCc3ncc[nH]3)C2)C1=O ZINC001270334339 1188099001 /nfs/dbraw/zinc/09/90/01/1188099001.db2.gz HVXJRVPDQLRZCU-GOSISDBHSA-N 2 0 361.446 0.272 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2ccnc2)C1 ZINC001270332350 1188099925 /nfs/dbraw/zinc/09/99/25/1188099925.db2.gz IKLGLXWXCCOPMT-GVDBMIGSSA-N 2 0 359.474 0.817 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(F)C(=O)N(Cc3cncn3C)C[C@@]2(F)C1 ZINC001270357513 1188116041 /nfs/dbraw/zinc/11/60/41/1188116041.db2.gz DEKRXSXHDWKPHP-IAGOWNOFSA-N 2 0 369.416 0.363 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000785400004 1188220358 /nfs/dbraw/zinc/22/03/58/1188220358.db2.gz SNTVPNMBEAORMZ-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000894788464 1188250714 /nfs/dbraw/zinc/25/07/14/1188250714.db2.gz QDYOIXUEXQGLRF-MGNMYUMUSA-N 2 0 365.522 0.854 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075798748 1188423030 /nfs/dbraw/zinc/42/30/30/1188423030.db2.gz MUVVNLFUOOKOLL-RCCFBDPRSA-N 2 0 360.502 0.483 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087727262 1189804180 /nfs/dbraw/zinc/80/41/80/1189804180.db2.gz NRNXVSVJEHNRCC-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000896004851 1189909951 /nfs/dbraw/zinc/90/99/51/1189909951.db2.gz QRFQCQJNPNHTGN-UHFFFAOYSA-N 2 0 364.534 0.772 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993391 1190143413 /nfs/dbraw/zinc/14/34/13/1190143413.db2.gz MTLPGMBXSRRLFK-IKGGRYGDSA-N 2 0 363.506 0.132 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993218 1190143811 /nfs/dbraw/zinc/14/38/11/1190143811.db2.gz FODUDJIBCDXJNQ-AOIWGVFYSA-N 2 0 362.518 0.729 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995007 1190148345 /nfs/dbraw/zinc/14/83/45/1190148345.db2.gz NUBWFLLYBHMHDG-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088083860 1190478367 /nfs/dbraw/zinc/47/83/67/1190478367.db2.gz MUCKZRMGKBKGHQ-KBMXLJTQSA-N 2 0 360.458 0.624 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083902 1190478799 /nfs/dbraw/zinc/47/87/99/1190478799.db2.gz OGCRPTHBVNVSGP-FMKPAKJESA-N 2 0 362.474 0.870 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000985066347 1190497971 /nfs/dbraw/zinc/49/79/71/1190497971.db2.gz REZGPCMKYPABRA-BBWFWOEESA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105759 1190591391 /nfs/dbraw/zinc/59/13/91/1190591391.db2.gz BJFXIDSNOBIDKG-ZACQAIPSSA-N 2 0 363.506 0.276 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106598 1190593203 /nfs/dbraw/zinc/59/32/03/1190593203.db2.gz IYTKYUZAZSJVCQ-BBWFWOEESA-N 2 0 363.506 0.134 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985165467 1190663311 /nfs/dbraw/zinc/66/33/11/1190663311.db2.gz CPIXBAUPYFIWIM-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC001276755906 1224107124 /nfs/dbraw/zinc/10/71/24/1224107124.db2.gz BSUTWBZVKMEXEV-HXUWFJFHSA-N 2 0 356.470 0.817 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532618292 1191200355 /nfs/dbraw/zinc/20/03/55/1191200355.db2.gz MRXRLQODQPPAQX-ROUUACIJSA-N 2 0 368.522 0.774 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3CN(CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144268 /nfs/dbraw/zinc/14/42/68/1224144268.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 0 367.490 0.044 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1)C(N)=O ZINC001218385419 1224157526 /nfs/dbraw/zinc/15/75/26/1224157526.db2.gz IDQZCYWKNXJWHA-OSMBCOQSSA-N 2 0 362.474 0.312 20 0 FCADRP N[C@@H](C[NH3+])c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)cc1 ZINC001218510491 1224164809 /nfs/dbraw/zinc/16/48/09/1224164809.db2.gz MKIDDJKVIBVDEG-INIZCTEOSA-N 2 0 369.425 0.765 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557723 1224172506 /nfs/dbraw/zinc/17/25/06/1224172506.db2.gz IFNXIKCFFPRSRP-OKZBNKHCSA-N 2 0 371.522 0.273 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550899670 1193819128 /nfs/dbraw/zinc/81/91/28/1193819128.db2.gz XOYQRVLJFVHTNA-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000551075170 1193831605 /nfs/dbraw/zinc/83/16/05/1193831605.db2.gz SUBSCOMCCXZZKV-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000551151916 1193835710 /nfs/dbraw/zinc/83/57/10/1193835710.db2.gz LDXHGLMECWJUGL-CVEARBPZSA-N 2 0 369.554 0.079 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105658371 1193861920 /nfs/dbraw/zinc/86/19/20/1193861920.db2.gz GMLVCUAGJHPVSM-SOAMZJECSA-N 2 0 367.534 0.677 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000551849461 1193873929 /nfs/dbraw/zinc/87/39/29/1193873929.db2.gz XCXJNBZUNKLPFG-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC1CCOCC1 ZINC001088757072 1193891210 /nfs/dbraw/zinc/89/12/10/1193891210.db2.gz HKLKWJZTFQEIQW-AJYGOWOKSA-N 2 0 363.502 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001083472868 1193904554 /nfs/dbraw/zinc/90/45/54/1193904554.db2.gz USFPEIKNYBIZPP-MYZZLAAOSA-N 2 0 360.502 0.754 20 0 FCADRP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472691 1193905197 /nfs/dbraw/zinc/90/51/97/1193905197.db2.gz LQYNYDWPAQIBIH-AXUOBQJMSA-N 2 0 361.486 0.835 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC001218572939 1224176087 /nfs/dbraw/zinc/17/60/87/1224176087.db2.gz OZOLMKZTZKHXDR-HNNXBMFYSA-N 2 0 363.510 0.663 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105668646 1193953305 /nfs/dbraw/zinc/95/33/05/1193953305.db2.gz XZSMQCHDSNDAIR-RGCFKVTRSA-N 2 0 368.522 0.170 20 0 FCADRP CN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864721 1193956643 /nfs/dbraw/zinc/95/66/43/1193956643.db2.gz OCCQDHDLMAYNRY-UHFFFAOYSA-N 2 0 362.474 0.913 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553263080 1193986370 /nfs/dbraw/zinc/98/63/70/1193986370.db2.gz CQLIOQDJRFMYRV-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nonc1-c1nc2ccccc2[nH]1 ZINC001218627557 1224185807 /nfs/dbraw/zinc/18/58/07/1224185807.db2.gz WVPOODANJFNTCL-LLVKDONJSA-N 2 0 370.417 0.302 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1C[NH3+] ZINC000842147408 1194057122 /nfs/dbraw/zinc/05/71/22/1194057122.db2.gz BXRYOZKENOUSQY-PVAVHDDUSA-N 2 0 366.506 0.332 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000842147463 1194057583 /nfs/dbraw/zinc/05/75/83/1194057583.db2.gz FDPFFGOOUKLSKW-MRXNPFEDSA-N 2 0 366.506 0.524 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccn2cnnc2c1 ZINC001218658654 1224192007 /nfs/dbraw/zinc/19/20/07/1224192007.db2.gz HMNNNDURSZTVRV-KBPBESRZSA-N 2 0 359.434 0.115 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083518552 1194122895 /nfs/dbraw/zinc/12/28/95/1194122895.db2.gz DUKOTVTWUUCHKB-KURKYZTESA-N 2 0 363.506 0.102 20 0 FCADRP COc1cc2cc(C(N)=O)c(NC(=O)[C@H]([NH3+])CCC[NH3+])nc2cc1OC ZINC001218711723 1224201984 /nfs/dbraw/zinc/20/19/84/1224201984.db2.gz SSMQXVXHQJWRKL-LLVKDONJSA-N 2 0 361.402 0.356 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218712778 1224201991 /nfs/dbraw/zinc/20/19/91/1224201991.db2.gz PVASEUDQVXKKNN-KBPBESRZSA-N 2 0 357.414 0.724 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cn2)CC1 ZINC001218723992 1224205420 /nfs/dbraw/zinc/20/54/20/1224205420.db2.gz BVUSNWLANAJYFZ-MRXNPFEDSA-N 3 0 358.490 0.822 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723961 1224205836 /nfs/dbraw/zinc/20/58/36/1224205836.db2.gz ASEBZKQZXNESIB-HNNXBMFYSA-N 2 0 362.478 0.437 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC34CCOCC4)cn2)CC1 ZINC001218725212 1224205888 /nfs/dbraw/zinc/20/58/88/1224205888.db2.gz UJYSPGKUENJBAY-MRXNPFEDSA-N 2 0 359.474 0.964 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001076070487 1194292104 /nfs/dbraw/zinc/29/21/04/1194292104.db2.gz LUCMDBUXJVEKNW-LDEZJPALSA-N 2 0 368.481 0.978 20 0 FCADRP CC(C)(C)c1cnn2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cnc12 ZINC001218747985 1224211308 /nfs/dbraw/zinc/21/13/08/1224211308.db2.gz JPXXQNZQSYRTOR-HNNXBMFYSA-N 2 0 359.478 0.716 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239955 1194362550 /nfs/dbraw/zinc/36/25/50/1194362550.db2.gz DWLXBPVGVPIXSL-BPQIPLTHSA-N 2 0 358.486 0.902 20 0 FCADRP CCOC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794924 1224214626 /nfs/dbraw/zinc/21/46/26/1224214626.db2.gz UWNFYTYHGIHHCZ-CLCXKQKWSA-N 2 0 369.506 0.611 20 0 FCADRP O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218849928 1224239102 /nfs/dbraw/zinc/23/91/02/1224239102.db2.gz BFXWWZBCMZRBRK-QGZVFWFLSA-N 2 0 372.469 0.972 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874437 1224244402 /nfs/dbraw/zinc/24/44/02/1224244402.db2.gz UGQIUWDVCSLMIX-KRWDZBQOSA-N 2 0 364.490 0.882 20 0 FCADRP Cn1cc2cccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])c2n1 ZINC001218888926 1224250043 /nfs/dbraw/zinc/25/00/43/1224250043.db2.gz NDDYAEXQNWFWHD-HOCLYGCPSA-N 2 0 372.473 0.959 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2n[nH]cc21 ZINC001218896373 1224251182 /nfs/dbraw/zinc/25/11/82/1224251182.db2.gz TZKOKHPVPIFDAF-BBRMVZONSA-N 2 0 358.446 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919604 1224259959 /nfs/dbraw/zinc/25/99/59/1224259959.db2.gz VFZSAGJHUJWDPI-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218938155 1224266481 /nfs/dbraw/zinc/26/64/81/1224266481.db2.gz PAYIPKOFOWYRSP-IBGZPJMESA-N 2 0 366.465 1.000 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563209 1195219489 /nfs/dbraw/zinc/21/94/89/1195219489.db2.gz DUBDMGGGVRYLEO-KSZLIROESA-N 2 0 365.518 0.840 20 0 FCADRP Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)cc1 ZINC001218970920 1224274822 /nfs/dbraw/zinc/27/48/22/1224274822.db2.gz OAYSRGFAGRDRAM-RBUKOAKNSA-N 2 0 361.486 0.985 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275886 1195376303 /nfs/dbraw/zinc/37/63/03/1195376303.db2.gz ATWZFZXXPMWELI-ZTFGCOKTSA-N 2 0 358.442 0.844 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077311928 1195413692 /nfs/dbraw/zinc/41/36/92/1195413692.db2.gz FRXCLTIKHCQIQB-IAOVAPTHSA-N 2 0 371.441 0.026 20 0 FCADRP CCCNC(=O)[C@H](C)N1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004288 1224285094 /nfs/dbraw/zinc/28/50/94/1224285094.db2.gz FEYSCTBEVXJFOF-YESZJQIVSA-N 2 0 368.522 0.545 20 0 FCADRP O[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C[C@]1(O)CCOC1 ZINC000905082641 1195573614 /nfs/dbraw/zinc/57/36/14/1195573614.db2.gz SGPDJQJXCJNRIK-RBUKOAKNSA-N 2 0 364.490 0.086 20 0 FCADRP Cc1nc(CC2CC[NH+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)no1 ZINC000905029131 1195573884 /nfs/dbraw/zinc/57/38/84/1195573884.db2.gz RXHXHPKUKNJFJN-HNNXBMFYSA-N 2 0 363.462 0.712 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000906540180 1195636971 /nfs/dbraw/zinc/63/69/71/1195636971.db2.gz LVIFZHZICDHQFE-FQEVSTJZSA-N 2 0 373.545 0.585 20 0 FCADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000906785108 1195664548 /nfs/dbraw/zinc/66/45/48/1195664548.db2.gz DVBSIIVRXWGARN-YLJYHZDGSA-N 2 0 374.529 0.886 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155831 1195681865 /nfs/dbraw/zinc/68/18/65/1195681865.db2.gz LTNQNSZZSVMSAQ-WOJBJXKFSA-N 2 0 374.529 0.479 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607168 1195683427 /nfs/dbraw/zinc/68/34/27/1195683427.db2.gz JOICOPUFZYXKSI-OLMNPRSZSA-N 2 0 358.442 0.926 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607169 1195684119 /nfs/dbraw/zinc/68/41/19/1195684119.db2.gz JOICOPUFZYXKSI-QGTPRVQTSA-N 2 0 358.442 0.926 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219025212 1224298694 /nfs/dbraw/zinc/29/86/94/1224298694.db2.gz ATYBGWLIRBISBW-AWEZNQCLSA-N 2 0 369.429 0.045 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000907290149 1195688182 /nfs/dbraw/zinc/68/81/82/1195688182.db2.gz AWTIRYPZICMDQK-GOSISDBHSA-N 2 0 371.485 0.941 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000910827273 1195847031 /nfs/dbraw/zinc/84/70/31/1195847031.db2.gz BDGVCQANNUJMDC-HNNXBMFYSA-N 2 0 359.474 0.671 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000910831634 1195850822 /nfs/dbraw/zinc/85/08/22/1195850822.db2.gz YBTLMTWBDTYDMS-FUHWJXTLSA-N 2 0 369.469 0.591 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000910831222 1195850855 /nfs/dbraw/zinc/85/08/55/1195850855.db2.gz WUYAUBOXDKZXRE-UZLBHIALSA-N 2 0 371.485 0.673 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000910874973 1195855256 /nfs/dbraw/zinc/85/52/56/1195855256.db2.gz FVMDLSLODFQKQU-UHFFFAOYSA-N 2 0 365.522 1.000 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000910953635 1195868586 /nfs/dbraw/zinc/86/85/86/1195868586.db2.gz UONPYAYTOASFSQ-QGZVFWFLSA-N 2 0 374.485 0.946 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961197 1195869236 /nfs/dbraw/zinc/86/92/36/1195869236.db2.gz BDYLPYMGRKAHTB-ROUUACIJSA-N 2 0 360.502 0.924 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000910964119 1195869745 /nfs/dbraw/zinc/86/97/45/1195869745.db2.gz SPBVVYFHDBMWJT-ZTFGCOKTSA-N 2 0 374.485 0.754 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccco1 ZINC000911003150 1195877241 /nfs/dbraw/zinc/87/72/41/1195877241.db2.gz PXTZFMMRSQEYRA-XHSDSOJGSA-N 2 0 362.474 0.847 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000911016087 1195878613 /nfs/dbraw/zinc/87/86/13/1195878613.db2.gz SYRHQOINWPENKC-PVAVHDDUSA-N 2 0 366.506 0.068 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC000911103524 1195890606 /nfs/dbraw/zinc/89/06/06/1195890606.db2.gz YTBCMOWNKIKAGB-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911193009 1195907210 /nfs/dbraw/zinc/90/72/10/1195907210.db2.gz GJVBOTJQWOFNPD-QZTJIDSGSA-N 2 0 374.485 0.344 20 0 FCADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000911704370 1196309296 /nfs/dbraw/zinc/30/92/96/1196309296.db2.gz DCSCWPDSJYVXFT-HUUCEWRRSA-N 2 0 359.474 0.436 20 0 FCADRP C[C@H](CCNC(=O)c1cnc(C(=O)NCC[C@@H](C)[NH+](C)C)cn1)[NH+](C)C ZINC000912388553 1196345585 /nfs/dbraw/zinc/34/55/85/1196345585.db2.gz XOXRWRHIXQNURA-ZIAGYGMSSA-N 2 0 364.494 0.617 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000991426410 1196394077 /nfs/dbraw/zinc/39/40/77/1196394077.db2.gz ASVZWAVMWBNRAQ-DJIMGWMZSA-N 2 0 366.506 0.295 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000991479911 1196463687 /nfs/dbraw/zinc/46/36/87/1196463687.db2.gz QUYMXOCMNCQLMX-OAGGEKHMSA-N 2 0 359.474 0.723 20 0 FCADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378606 1196471519 /nfs/dbraw/zinc/47/15/19/1196471519.db2.gz YONALIYJHXUGCK-XLIONFOSSA-N 2 0 365.518 0.914 20 0 FCADRP NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001219087374 1224347403 /nfs/dbraw/zinc/34/74/03/1224347403.db2.gz DRTRUFGDTCGBPJ-QGZVFWFLSA-N 2 0 359.474 0.654 20 0 FCADRP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219170771 1224373349 /nfs/dbraw/zinc/37/33/49/1224373349.db2.gz YSWWLADFTANUDS-OAHLLOKOSA-N 2 0 374.441 0.057 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219193887 1224382882 /nfs/dbraw/zinc/38/28/82/1224382882.db2.gz QHYQWQGITVKWFB-CABCVRRESA-N 2 0 372.391 0.629 20 0 FCADRP N[C@@]1(C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC001219193673 1224383374 /nfs/dbraw/zinc/38/33/74/1224383374.db2.gz IPUAEXUVXNGULV-INIZCTEOSA-N 2 0 371.407 0.740 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925399361 1197131158 /nfs/dbraw/zinc/13/11/58/1197131158.db2.gz KXDBFDYYMDBGAI-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106139245 1197232428 /nfs/dbraw/zinc/23/24/28/1197232428.db2.gz PIZZCZDGTWHHRQ-OLMNPRSZSA-N 2 0 362.518 0.539 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000992687361 1197302710 /nfs/dbraw/zinc/30/27/10/1197302710.db2.gz JNVYJBJMLHVIMJ-TXPKVOOTSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992948768 1197627248 /nfs/dbraw/zinc/62/72/48/1197627248.db2.gz PUYZTIVUZLQCOA-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992991810 1197651404 /nfs/dbraw/zinc/65/14/04/1197651404.db2.gz XYXOOSLYCUKWDP-AXVVYFOYSA-N 2 0 374.529 0.729 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106211157 1197702191 /nfs/dbraw/zinc/70/21/91/1197702191.db2.gz SOUAXHPDWZDGSY-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@]2(C)C1)[NH+](C)C ZINC000993045903 1197736538 /nfs/dbraw/zinc/73/65/38/1197736538.db2.gz DZFASKRRWHTUJV-ZSZQSSIHSA-N 2 0 361.490 0.989 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085245658 1197736735 /nfs/dbraw/zinc/73/67/35/1197736735.db2.gz GXHNXAWEDDAZMB-OAGGEKHMSA-N 2 0 364.490 0.637 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274354 1197743498 /nfs/dbraw/zinc/74/34/98/1197743498.db2.gz HITDELSPWBGJTD-KZNAEPCWSA-N 2 0 366.506 0.792 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106245050 1197775833 /nfs/dbraw/zinc/77/58/33/1197775833.db2.gz YZZRQOCZQWTLGF-KZNAEPCWSA-N 2 0 364.534 0.881 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255664 1197791760 /nfs/dbraw/zinc/79/17/60/1197791760.db2.gz DKCHCSLHUVQIEJ-JFIYKMOQSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085331828 1197824569 /nfs/dbraw/zinc/82/45/69/1197824569.db2.gz BAPWUBMKLKEDCF-ARFHVFGLSA-N 2 0 364.490 0.637 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083726933 1197829193 /nfs/dbraw/zinc/82/91/93/1197829193.db2.gz BPRXPUFWGGPFFD-FZDIXFNVSA-N 2 0 361.486 0.571 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106308981 1197861631 /nfs/dbraw/zinc/86/16/31/1197861631.db2.gz KGSGKKNTPXRDMW-HZPDHXFCSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106313054 1197862504 /nfs/dbraw/zinc/86/25/04/1197862504.db2.gz UQAVRRLMNMQKGV-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000735587085 1197864301 /nfs/dbraw/zinc/86/43/01/1197864301.db2.gz GTZVPKPKNXKZLE-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106353954 1197875144 /nfs/dbraw/zinc/87/51/44/1197875144.db2.gz IOONCLXFWIVAPW-FRFSOERESA-N 2 0 360.458 0.948 20 0 FCADRP Cc1ncc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106590829 1198025517 /nfs/dbraw/zinc/02/55/17/1198025517.db2.gz APVGPGSQWHKJLU-VNQPRFMTSA-N 2 0 361.490 0.526 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106591447 1198025940 /nfs/dbraw/zinc/02/59/40/1198025940.db2.gz AGJGVKTUUUGLAO-NVXWUHKLSA-N 2 0 364.534 0.881 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1 ZINC001106591673 1198026533 /nfs/dbraw/zinc/02/65/33/1198026533.db2.gz JCJVMTIEKCFPJU-ZIAGYGMSSA-N 2 0 365.478 0.742 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001086090755 1198158889 /nfs/dbraw/zinc/15/88/89/1198158889.db2.gz PNLYCLVLOMDPFD-APIJFGDWSA-N 2 0 363.510 0.753 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273413744 1198266084 /nfs/dbraw/zinc/26/60/84/1198266084.db2.gz QDBIOBHKXWOUJE-QZTJIDSGSA-N 2 0 374.476 0.771 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13CC[C@H]1C[NH2+]C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501725 1224488875 /nfs/dbraw/zinc/48/88/75/1224488875.db2.gz XZPIHKQVRVNXDF-BKOMCJNNSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@@H](F)C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500506 1224489246 /nfs/dbraw/zinc/48/92/46/1224489246.db2.gz CHZNHSBFICCUHB-FHGNATFXSA-N 2 0 362.405 0.765 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@H](OC)CC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503855 1224490301 /nfs/dbraw/zinc/49/03/01/1224490301.db2.gz OBGKAXNYVDCOSN-VZMUKZCBSA-N 2 0 374.441 0.584 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086484155 1198958842 /nfs/dbraw/zinc/95/88/42/1198958842.db2.gz KVDIKPOZEWXKCF-XWJBARJFSA-N 2 0 358.486 0.690 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccnc(N4CCC([NH3+])CC4)n3)n2)c1 ZINC001168877620 1199038506 /nfs/dbraw/zinc/03/85/06/1199038506.db2.gz AWBOLXQCPMZTRW-UHFFFAOYSA-N 2 0 351.418 0.506 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc(O[C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC001168879590 1199038523 /nfs/dbraw/zinc/03/85/23/1199038523.db2.gz MZQHZSVVZISVRJ-AWEZNQCLSA-N 2 0 352.402 0.709 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129337648 1199079335 /nfs/dbraw/zinc/07/93/35/1199079335.db2.gz RPYYFHPWRCXNCK-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609005 1199080452 /nfs/dbraw/zinc/08/04/52/1199080452.db2.gz GTJKGMUBKJAGSY-FGTMMUONSA-N 2 0 366.506 0.108 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370160 1199128083 /nfs/dbraw/zinc/12/80/83/1199128083.db2.gz QMPJWBLPKDPVPN-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370168 1199128577 /nfs/dbraw/zinc/12/85/77/1199128577.db2.gz QVENWPJJWWKSTG-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001219618225 1224530351 /nfs/dbraw/zinc/53/03/51/1224530351.db2.gz ZMOJCNFVIJSORF-OXFYSEKESA-N 2 0 361.461 0.974 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001219650089 1224545736 /nfs/dbraw/zinc/54/57/36/1224545736.db2.gz MBURNNJIRLJIMU-DEYYWGMASA-N 2 0 371.485 0.516 20 0 FCADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC001219651816 1224545983 /nfs/dbraw/zinc/54/59/83/1224545983.db2.gz XTVPJFSPLVTQIO-OWYHZJEWSA-N 2 0 372.513 0.909 20 0 FCADRP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219669461 1224550730 /nfs/dbraw/zinc/55/07/30/1224550730.db2.gz YVFQKXHDAYJTOE-IBGZPJMESA-N 2 0 372.513 0.388 20 0 FCADRP O=C(C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)NCCC1(O)C[NH2+]C1 ZINC001219697343 1224563656 /nfs/dbraw/zinc/56/36/56/1224563656.db2.gz SWSQEQNMFFKSQI-OAHLLOKOSA-N 2 0 359.470 0.906 20 0 FCADRP O=C(NCCC1(O)C[NH2+]C1)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001219696352 1224564408 /nfs/dbraw/zinc/56/44/08/1224564408.db2.gz IQOCFFLPLGLGIN-SFHVURJKSA-N 2 0 372.469 0.610 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3[nH]2)C1 ZINC001219714567 1224570688 /nfs/dbraw/zinc/57/06/88/1224570688.db2.gz OYMPJNIVQKGKDO-LIRZEXBASA-N 2 0 357.458 0.081 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH3+])C1 ZINC001219720635 1224573289 /nfs/dbraw/zinc/57/32/89/1224573289.db2.gz OCLUOGPFWWSBDJ-LTCOOKNTSA-N 2 0 357.458 0.474 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H](c1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC001219720708 1224573946 /nfs/dbraw/zinc/57/39/46/1224573946.db2.gz PRHDLRCKJGIFEB-ZNMIVQPWSA-N 2 0 372.391 0.494 20 0 FCADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726410 1224579601 /nfs/dbraw/zinc/57/96/01/1224579601.db2.gz IRLSFHLKZQTZAT-MSOLQXFVSA-N 3 0 360.502 0.578 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219726755 1224580168 /nfs/dbraw/zinc/58/01/68/1224580168.db2.gz OICGDUXGHNFIJM-FHWLQOOXSA-N 3 0 372.513 0.327 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219748761 1224592080 /nfs/dbraw/zinc/59/20/80/1224592080.db2.gz AZJLGBAIYYLTEI-CVEARBPZSA-N 2 0 354.458 0.781 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219747410 1224592109 /nfs/dbraw/zinc/59/21/09/1224592109.db2.gz UUNJFGHLJKGTSP-QGZVFWFLSA-N 2 0 373.461 0.017 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219748762 1224592421 /nfs/dbraw/zinc/59/24/21/1224592421.db2.gz AZJLGBAIYYLTEI-HOTGVXAUSA-N 2 0 354.458 0.781 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC21CC[NH2+]CC1 ZINC001219753402 1224596369 /nfs/dbraw/zinc/59/63/69/1224596369.db2.gz HHGPXJFMOAVUFO-MSOLQXFVSA-N 2 0 370.497 0.508 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219764924 1224601233 /nfs/dbraw/zinc/60/12/33/1224601233.db2.gz PIYDQDXXFUYCQI-AEFFLSMTSA-N 2 0 357.502 0.404 20 0 FCADRP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cc[nH+]cc1 ZINC001109470288 1200313763 /nfs/dbraw/zinc/31/37/63/1200313763.db2.gz VKAMLZPWQMKTNI-SQNIBIBYSA-N 2 0 362.474 0.638 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773399 1224606736 /nfs/dbraw/zinc/60/67/36/1224606736.db2.gz QZTNKKPUTBAHDA-INIZCTEOSA-N 2 0 373.501 0.957 20 0 FCADRP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538724 1200370282 /nfs/dbraw/zinc/37/02/82/1200370282.db2.gz PLFYVNFEMCOTLB-OWEAFNKSSA-N 2 0 363.502 0.998 20 0 FCADRP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538503 1200371614 /nfs/dbraw/zinc/37/16/14/1200371614.db2.gz FQWFPFKVQAYHIQ-IBTBTWTJSA-N 2 0 363.502 0.996 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001109865616 1200576920 /nfs/dbraw/zinc/57/69/20/1200576920.db2.gz VXPWSEWXSKQBQZ-NCOADZHNSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800184 1224619718 /nfs/dbraw/zinc/61/97/18/1224619718.db2.gz HMXNWFBYUOCRGF-RBUKOAKNSA-N 2 0 372.513 0.735 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)c2ccco2)CC1 ZINC001219801402 1224620825 /nfs/dbraw/zinc/62/08/25/1224620825.db2.gz ZEMGGOZRWLGGOW-PBHICJAKSA-N 2 0 362.474 0.629 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001109932773 1200617783 /nfs/dbraw/zinc/61/77/83/1200617783.db2.gz SGPPQZKZWKWIJH-NCOADZHNSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219802765 1224622953 /nfs/dbraw/zinc/62/29/53/1224622953.db2.gz BVNCSVXTOAMFOE-GOSISDBHSA-N 2 0 358.486 0.590 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219809248 1224627803 /nfs/dbraw/zinc/62/78/03/1224627803.db2.gz HBEOIQAGKLIHGB-ZDUSSCGKSA-N 2 0 356.430 0.084 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001110017822 1200708727 /nfs/dbraw/zinc/70/87/27/1200708727.db2.gz OCLYFJNUBGGBNL-BDXSIMOUSA-N 2 0 371.522 0.464 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219813886 1224629449 /nfs/dbraw/zinc/62/94/49/1224629449.db2.gz JIKKISXCFWTLNK-MOPGFXCFSA-N 2 0 361.486 0.849 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112548876 1200774132 /nfs/dbraw/zinc/77/41/32/1200774132.db2.gz XHWGSVBTSRIRHF-VKJFTORMSA-N 2 0 363.510 0.831 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563234 1200796663 /nfs/dbraw/zinc/79/66/63/1200796663.db2.gz MNJGOFHUUGAVHR-LPHOPBHVSA-N 2 0 368.522 0.261 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001112578375 1200816559 /nfs/dbraw/zinc/81/65/59/1200816559.db2.gz LUDSFEVCZXYEDC-ZWOKBUDYSA-N 2 0 362.518 0.779 20 0 FCADRP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)NCC1CC1 ZINC001112579107 1200818394 /nfs/dbraw/zinc/81/83/94/1200818394.db2.gz WVRHTSCYMNBFMP-PXNSSMCTSA-N 2 0 362.518 0.827 20 0 FCADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219816258 1224633442 /nfs/dbraw/zinc/63/34/42/1224633442.db2.gz GAFIZCYPSNRQQH-OWSLCNJRSA-N 2 0 356.470 0.949 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112586368 1200822466 /nfs/dbraw/zinc/82/24/66/1200822466.db2.gz WCUPNAOVTFOMJJ-KHYOSLBOSA-N 2 0 364.490 0.350 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219819032 1224634599 /nfs/dbraw/zinc/63/45/99/1224634599.db2.gz YKQFMDLOKXKSET-HBFSDRIKSA-N 2 0 366.465 0.892 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001219819033 1224634874 /nfs/dbraw/zinc/63/48/74/1224634874.db2.gz YKVVLEOHSOVWFV-KSZLIROESA-N 2 0 352.438 0.875 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787113598 1200863977 /nfs/dbraw/zinc/86/39/77/1200863977.db2.gz HRIJMHMFKARCLX-QGZVFWFLSA-N 2 0 368.522 0.545 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823194 1224638577 /nfs/dbraw/zinc/63/85/77/1224638577.db2.gz MSZQDZUHHFSKKD-QWHCGFSZSA-N 2 0 374.470 0.336 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219833238 1224644711 /nfs/dbraw/zinc/64/47/11/1224644711.db2.gz AYSCNSSOEJUOID-JFRXWTBNSA-N 2 0 367.490 0.047 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219833237 1224645341 /nfs/dbraw/zinc/64/53/41/1224645341.db2.gz AYSCNSSOEJUOID-FPAYPSAMSA-N 2 0 367.490 0.047 20 0 FCADRP C[C@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1CC(C)(C)O ZINC000790385947 1201072244 /nfs/dbraw/zinc/07/22/44/1201072244.db2.gz OMOIXEBICZAUDV-KXBFYZLASA-N 2 0 366.506 0.638 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391176 1201072334 /nfs/dbraw/zinc/07/23/34/1201072334.db2.gz ZQKSONCXJIGOJK-BEFAXECRSA-N 2 0 366.506 0.638 20 0 FCADRP Cc1ccc([C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)N2CCC[NH2+]CC2)cc1 ZINC001219848067 1224652512 /nfs/dbraw/zinc/65/25/12/1224652512.db2.gz VWYVWCFZMJIFSJ-VNTMZGSJSA-N 2 0 372.513 0.967 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219853985 1224654628 /nfs/dbraw/zinc/65/46/28/1224654628.db2.gz ATWMDTRRJHRNER-GBESFXJTSA-N 2 0 358.486 0.446 20 0 FCADRP Cn1c[nH+]cc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392984 1201208412 /nfs/dbraw/zinc/20/84/12/1201208412.db2.gz JAULBTBDFSTCDI-JBJRXJHCSA-N 3 0 369.510 0.694 20 0 FCADRP Cn1c[nH+]cc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392988 1201208850 /nfs/dbraw/zinc/20/88/50/1201208850.db2.gz JAULBTBDFSTCDI-WLRQEKSISA-N 3 0 369.510 0.694 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000793703181 1201259828 /nfs/dbraw/zinc/25/98/28/1201259828.db2.gz WXVCMOBYUWJDSR-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793902491 1201274571 /nfs/dbraw/zinc/27/45/71/1201274571.db2.gz RFWGNZVEEVEKQN-TWMKSMIVSA-N 2 0 366.506 0.202 20 0 FCADRP Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129411668 1201297856 /nfs/dbraw/zinc/29/78/56/1201297856.db2.gz BCUXNOFRIVQLFD-SJORKVTESA-N 2 0 357.462 0.786 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086623650 1201350914 /nfs/dbraw/zinc/35/09/14/1201350914.db2.gz OXZZKWRWEDGPQM-RBUKOAKNSA-N 2 0 368.485 0.958 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686059 1201371046 /nfs/dbraw/zinc/37/10/46/1201371046.db2.gz VYBLUYLMIHOXMJ-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129884019 1201412910 /nfs/dbraw/zinc/41/29/10/1201412910.db2.gz GSMMNLJVDHUCLQ-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892333 1201416192 /nfs/dbraw/zinc/41/61/92/1201416192.db2.gz RWHCCVBJHXDYAG-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894326 1201428307 /nfs/dbraw/zinc/42/83/07/1201428307.db2.gz AYSWBXAQBNHEHL-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919496 1201441523 /nfs/dbraw/zinc/44/15/23/1201441523.db2.gz YEIDDICHLFFUSH-CVEARBPZSA-N 2 0 366.510 0.777 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129924645 1201443630 /nfs/dbraw/zinc/44/36/30/1201443630.db2.gz DIFYQDWIUHIOMU-XHSDSOJGSA-N 2 0 362.478 0.283 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129942897 1201444272 /nfs/dbraw/zinc/44/42/72/1201444272.db2.gz HIRMGSDCGMRHJL-IKGGRYGDSA-N 2 0 362.478 0.140 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954283 1201448803 /nfs/dbraw/zinc/44/88/03/1201448803.db2.gz GJZCJGRCQPCXPC-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCCC1 ZINC001129945959 1201454646 /nfs/dbraw/zinc/45/46/46/1201454646.db2.gz ZJVANSNAFSYHQO-CVEARBPZSA-N 2 0 364.494 0.267 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982658 1201462420 /nfs/dbraw/zinc/46/24/20/1201462420.db2.gz HPEDKBORYYCHQY-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983112 1201462462 /nfs/dbraw/zinc/46/24/62/1201462462.db2.gz MVOADEWLXRQQQJ-CABCVRRESA-N 2 0 362.434 0.234 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991923 1201470398 /nfs/dbraw/zinc/47/03/98/1201470398.db2.gz CPFYMPVREZZQJX-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129992177 1201470562 /nfs/dbraw/zinc/47/05/62/1201470562.db2.gz PDXDHPNENPGAJT-SJORKVTESA-N 2 0 360.437 0.911 20 0 FCADRP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)C1 ZINC001129992236 1201470666 /nfs/dbraw/zinc/47/06/66/1201470666.db2.gz UFOPKYOIQNZKMG-BACDZXNISA-N 2 0 364.494 0.386 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011970 1201471265 /nfs/dbraw/zinc/47/12/65/1201471265.db2.gz HEDSOAUEMLDENI-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054718 1201483459 /nfs/dbraw/zinc/48/34/59/1201483459.db2.gz LYAXTBPSHBZVTM-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130047677 1201486580 /nfs/dbraw/zinc/48/65/80/1201486580.db2.gz NNWTUOCRAVGQMB-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086362 1201494789 /nfs/dbraw/zinc/49/47/89/1201494789.db2.gz XQJJCCNFOFTEEU-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130096499 1201499183 /nfs/dbraw/zinc/49/91/83/1201499183.db2.gz ITLMFRCDNZYUBQ-BBWFWOEESA-N 2 0 366.510 0.513 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910704 1224677983 /nfs/dbraw/zinc/67/79/83/1224677983.db2.gz PDMGUNYOCLQQJK-NXHRZFHOSA-N 2 0 362.474 0.496 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130125322 1201506444 /nfs/dbraw/zinc/50/64/44/1201506444.db2.gz HGOZJENTUIHTBW-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919536 1224680658 /nfs/dbraw/zinc/68/06/58/1224680658.db2.gz BRINJNGCZUEZAB-MSOLQXFVSA-N 2 0 364.490 0.886 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919905 1224681244 /nfs/dbraw/zinc/68/12/44/1224681244.db2.gz SNHJWMZHNQSSRS-MSOLQXFVSA-N 2 0 362.474 0.496 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919970 1224681802 /nfs/dbraw/zinc/68/18/02/1224681802.db2.gz VMROYGOKCGOQJB-MSOLQXFVSA-N 2 0 362.474 0.496 20 0 FCADRP C[C@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234630 1201558556 /nfs/dbraw/zinc/55/85/56/1201558556.db2.gz FIKAXRNFUKDSPU-IHRRRGAJSA-N 2 0 370.473 0.583 20 0 FCADRP C[NH+](C)CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130232958 1201558585 /nfs/dbraw/zinc/55/85/85/1201558585.db2.gz WARXCCBKXVKXJB-KBPBESRZSA-N 2 0 370.473 0.584 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001130234871 1201559269 /nfs/dbraw/zinc/55/92/69/1201559269.db2.gz MZAWQULIEBSJJX-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP C[NH+]1CCC(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC1 ZINC001130235020 1201559460 /nfs/dbraw/zinc/55/94/60/1201559460.db2.gz RIWZTXLYNYQFFI-KBPBESRZSA-N 2 0 368.457 0.194 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001130237968 1201560434 /nfs/dbraw/zinc/56/04/34/1201560434.db2.gz MVCJNWRNBDOPOV-ILXRZTDVSA-N 2 0 364.494 0.633 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130246689 1201565867 /nfs/dbraw/zinc/56/58/67/1201565867.db2.gz MVHKBNHUAVTEQP-KBPBESRZSA-N 2 0 370.473 0.584 20 0 FCADRP COCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298791 1201580163 /nfs/dbraw/zinc/58/01/63/1201580163.db2.gz HDELTUCHXYOZSZ-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1)[NH+](C)C ZINC001130302034 1201580669 /nfs/dbraw/zinc/58/06/69/1201580669.db2.gz NIAUQUXLWZMECB-RYRKJORJSA-N 2 0 368.522 0.184 20 0 FCADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219929743 1224687120 /nfs/dbraw/zinc/68/71/20/1224687120.db2.gz QZXZJURKKMRPFL-MRXNPFEDSA-N 2 0 354.458 0.781 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219941331 1224692193 /nfs/dbraw/zinc/69/21/93/1224692193.db2.gz VKBMXJSRJFGJAL-ZWKOTPCHSA-N 2 0 358.486 0.345 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987348 1224716670 /nfs/dbraw/zinc/71/66/70/1224716670.db2.gz PCGUYRYBJMXJRZ-XYPHTWIQSA-N 2 0 359.430 0.203 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987296 1224716997 /nfs/dbraw/zinc/71/69/97/1224716997.db2.gz MXNXXKRTMDTCPK-SJORKVTESA-N 2 0 359.430 0.469 20 0 FCADRP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001220001246 1224723301 /nfs/dbraw/zinc/72/33/01/1224723301.db2.gz NAUWHKVCMTZZES-CYBMUJFWSA-N 2 0 373.375 0.987 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022231 1224729514 /nfs/dbraw/zinc/72/95/14/1224729514.db2.gz CZWBYDRXMLXZLA-INIZCTEOSA-N 2 0 362.474 0.233 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220023096 1224730563 /nfs/dbraw/zinc/73/05/63/1224730563.db2.gz QFWBJGGFBRRCPB-YOEHRIQHSA-N 2 0 362.474 0.233 20 0 FCADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220044941 1224735736 /nfs/dbraw/zinc/73/57/36/1224735736.db2.gz FIKFLLJNSOTFAR-OAHLLOKOSA-N 2 0 373.482 0.443 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130608143 1202729106 /nfs/dbraw/zinc/72/91/06/1202729106.db2.gz ZGJMMGOYHHSCHA-DOTOQJQBSA-N 2 0 363.506 0.825 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130602675 1202732017 /nfs/dbraw/zinc/73/20/17/1202732017.db2.gz NADYKAAQCNJPGR-ZMSDIMECSA-N 2 0 369.485 0.630 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652213 1202743067 /nfs/dbraw/zinc/74/30/67/1202743067.db2.gz JTRCUBHXLOVYGI-NBOOPKSLSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654490 1202743576 /nfs/dbraw/zinc/74/35/76/1202743576.db2.gz KDIKIBAFDVPWEC-DOTOQJQBSA-N 2 0 363.506 0.682 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669252 1202751267 /nfs/dbraw/zinc/75/12/67/1202751267.db2.gz BWMVYIMLLNMMLL-MAUKXSAKSA-N 2 0 371.489 0.554 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC2CCOCC2)c1 ZINC001130669906 1202751708 /nfs/dbraw/zinc/75/17/08/1202751708.db2.gz MSUTXEHSCOMKRU-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712794 1202759438 /nfs/dbraw/zinc/75/94/38/1202759438.db2.gz MDQCVUYSTCPSJB-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP Cc1nc(N)ccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220071833 1224745453 /nfs/dbraw/zinc/74/54/53/1224745453.db2.gz UGEKBYGXUDGWPR-GJZGRUSLSA-N 2 0 362.478 0.036 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC[N@@H+]1C ZINC001130782974 1202793947 /nfs/dbraw/zinc/79/39/47/1202793947.db2.gz HXVFKMCFGOQHCS-XJFOESAGSA-N 2 0 368.457 0.540 20 0 FCADRP COC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130804348 1202800597 /nfs/dbraw/zinc/80/05/97/1202800597.db2.gz DXXVXHNLRFMACR-HZSPNIEDSA-N 2 0 368.482 0.217 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130813444 1202806170 /nfs/dbraw/zinc/80/61/70/1202806170.db2.gz PPDTUTNZGXABEH-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130815915 1202806656 /nfs/dbraw/zinc/80/66/56/1202806656.db2.gz GWGMNOYLSPIMCF-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)C1 ZINC001130817253 1202807816 /nfs/dbraw/zinc/80/78/16/1202807816.db2.gz IMHAWMRLFSRXMJ-HZSPNIEDSA-N 2 0 368.457 0.542 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130943952 1202827308 /nfs/dbraw/zinc/82/73/08/1202827308.db2.gz PXDKQOZMXNNSHP-ZACQAIPSSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988876 1202837562 /nfs/dbraw/zinc/83/75/62/1202837562.db2.gz OCFNKJHVFUMQOF-ZACQAIPSSA-N 2 0 363.506 0.823 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131003308 1202841004 /nfs/dbraw/zinc/84/10/04/1202841004.db2.gz CMRJABDFPAIYBH-OWCLPIDISA-N 2 0 369.485 0.366 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062115 1202854199 /nfs/dbraw/zinc/85/41/99/1202854199.db2.gz WXARNGNXQXTIKR-HZPDHXFCSA-N 2 0 359.478 0.190 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001131062017 1202854225 /nfs/dbraw/zinc/85/42/25/1202854225.db2.gz RQOYCNSZZPFYEG-HZPDHXFCSA-N 2 0 359.478 0.190 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC001131061860 1202854317 /nfs/dbraw/zinc/85/43/17/1202854317.db2.gz OXDGVUFDWUKZEY-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC001131068277 1202855677 /nfs/dbraw/zinc/85/56/77/1202855677.db2.gz WZLWAAMCOCCIRS-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131091663 1202861287 /nfs/dbraw/zinc/86/12/87/1202861287.db2.gz ODKZUXMBGUDGMV-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)C(C)C ZINC001131092037 1202861345 /nfs/dbraw/zinc/86/13/45/1202861345.db2.gz XWVYSLUCOQTIHD-NUJGCVRESA-N 2 0 365.522 0.663 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108340 1202864482 /nfs/dbraw/zinc/86/44/82/1202864482.db2.gz QJFVKEUEDJTWES-BZUAXINKSA-N 2 0 361.490 0.435 20 0 FCADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1)[NH+](C)C ZINC001131519348 1202908622 /nfs/dbraw/zinc/90/86/22/1202908622.db2.gz LXIZPYYAZUWAAZ-TVFCKZIOSA-N 2 0 371.522 0.320 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001131522616 1202911230 /nfs/dbraw/zinc/91/12/30/1202911230.db2.gz PWNLRALUWXIRLZ-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555569 1202913463 /nfs/dbraw/zinc/91/34/63/1202913463.db2.gz LRKNGIRTAFQKMH-APWZRJJASA-N 2 0 368.522 0.402 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)nn1 ZINC001131564892 1202915007 /nfs/dbraw/zinc/91/50/07/1202915007.db2.gz WIEAEAUQYSVKOM-AEFFLSMTSA-N 2 0 364.494 0.253 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131588201 1202916674 /nfs/dbraw/zinc/91/66/74/1202916674.db2.gz WQEISYDNGBJUQN-APWZRJJASA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131595357 1202919157 /nfs/dbraw/zinc/91/91/57/1202919157.db2.gz VHHMADUWJYLPQP-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131609048 1202920803 /nfs/dbraw/zinc/92/08/03/1202920803.db2.gz XSHZSECPUGSBGM-SCTDSRPQSA-N 2 0 371.522 0.320 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)[C@@H](c2ccccc2)C1 ZINC001134126438 1203015699 /nfs/dbraw/zinc/01/56/99/1203015699.db2.gz QMGUKPHPTBVLMD-MSOLQXFVSA-N 2 0 358.486 0.564 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126551 1203015736 /nfs/dbraw/zinc/01/57/36/1203015736.db2.gz XHMADUBCOIZNQY-JQHSSLGASA-N 2 0 360.502 0.952 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001086732072 1203056751 /nfs/dbraw/zinc/05/67/51/1203056751.db2.gz TUHHAXWRIKXLGK-JYYAWHABSA-N 2 0 364.494 0.392 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001086758902 1203082142 /nfs/dbraw/zinc/08/21/42/1203082142.db2.gz CTHZETTTYCUEON-JGGQBBKZSA-N 2 0 369.425 0.628 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC001086784912 1203092583 /nfs/dbraw/zinc/09/25/83/1203092583.db2.gz APSAGHDWKHAOFO-GVDBMIGSSA-N 2 0 361.490 0.960 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001086785205 1203092649 /nfs/dbraw/zinc/09/26/49/1203092649.db2.gz ODYXYKGEQJPCDX-JZXOWHBKSA-N 2 0 363.506 0.904 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC1 ZINC001086793015 1203094904 /nfs/dbraw/zinc/09/49/04/1203094904.db2.gz XCHJXBGOLUUNFL-GOEBONIOSA-N 2 0 366.485 0.964 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001170874866 1203109944 /nfs/dbraw/zinc/10/99/44/1203109944.db2.gz PJBKKACBMVLBNG-NFAWXSAZSA-N 2 0 359.430 0.558 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000817926576 1203126481 /nfs/dbraw/zinc/12/64/81/1203126481.db2.gz NLZHOMUCPLIWIU-KDURUIRLSA-N 2 0 372.513 0.972 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000817975273 1203129631 /nfs/dbraw/zinc/12/96/31/1203129631.db2.gz SMWRUVNWHPYPQA-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817971324 1203129771 /nfs/dbraw/zinc/12/97/71/1203129771.db2.gz CITROGKJHBIACP-BEFAXECRSA-N 2 0 364.490 0.053 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986727 1203130008 /nfs/dbraw/zinc/13/00/08/1203130008.db2.gz NPVLTCVRWFWPHR-RIFZZMRRSA-N 2 0 360.502 0.816 20 0 FCADRP O=C(CO[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000844191258 1203338508 /nfs/dbraw/zinc/33/85/08/1203338508.db2.gz VKJSATVGFGIDAY-SFHVURJKSA-N 2 0 361.490 0.479 20 0 FCADRP COC(=O)[C@@]1(NC(=O)CNC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228340 1224809659 /nfs/dbraw/zinc/80/96/59/1224809659.db2.gz JLTIQKOVGJHUCK-HXUWFJFHSA-N 2 0 374.485 0.262 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228343 1224810136 /nfs/dbraw/zinc/81/01/36/1224810136.db2.gz JLZFECOOBCPJIV-XLIONFOSSA-N 3 0 374.485 0.247 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228795 1224810552 /nfs/dbraw/zinc/81/05/52/1224810552.db2.gz YDPORHSTZVCXIA-QFBILLFUSA-N 3 0 362.474 0.377 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312179 1224826119 /nfs/dbraw/zinc/82/61/19/1224826119.db2.gz YWESHSGZYWIOJL-ZDUSSCGKSA-N 2 0 365.478 0.832 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001220313722 1224826411 /nfs/dbraw/zinc/82/64/11/1224826411.db2.gz UALUFZFRFOTQPG-CYBMUJFWSA-N 2 0 356.430 0.442 20 0 FCADRP CN(CC(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)C(N)=[NH2+] ZINC001144132656 1204423029 /nfs/dbraw/zinc/42/30/29/1204423029.db2.gz ZQJQZFRZAPSBPH-USXIJHARSA-N 2 0 358.490 0.966 20 0 FCADRP CN(CC(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)C(N)=[NH2+] ZINC001144132654 1204423449 /nfs/dbraw/zinc/42/34/49/1204423449.db2.gz ZQJQZFRZAPSBPH-BHYGNILZSA-N 2 0 358.490 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001091035847 1204448833 /nfs/dbraw/zinc/44/88/33/1204448833.db2.gz LKJXSTCXMFQLHE-XSCHDIRWSA-N 2 0 362.478 0.133 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001091036133 1204448862 /nfs/dbraw/zinc/44/88/62/1204448862.db2.gz VJEVPHCRNOCGBX-BLYZHGLHSA-N 2 0 370.448 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001091039308 1204453916 /nfs/dbraw/zinc/45/39/16/1204453916.db2.gz YNHLBTYCMARUDU-PFSRBDOWSA-N 2 0 365.478 0.931 20 0 FCADRP O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354660 1224840068 /nfs/dbraw/zinc/84/00/68/1224840068.db2.gz VSTOWZHHHZLLGT-TVKQPGBESA-N 2 0 373.453 0.693 20 0 FCADRP N[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC[NH2+]C1 ZINC001220356702 1224840738 /nfs/dbraw/zinc/84/07/38/1224840738.db2.gz CXJZLPXAFHTGTB-FRQCXROJSA-N 2 0 360.458 0.253 20 0 FCADRP CN1N=C(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000846684153 1204651294 /nfs/dbraw/zinc/65/12/94/1204651294.db2.gz ZGOKDHRBXZPGFP-UHFFFAOYSA-N 2 0 357.458 0.704 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369666 1224846554 /nfs/dbraw/zinc/84/65/54/1224846554.db2.gz MPEMRTZBFBJYPM-BBWFWOEESA-N 2 0 371.522 0.321 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220377060 1224849114 /nfs/dbraw/zinc/84/91/14/1224849114.db2.gz IWLDZIFGZUREFS-AWEZNQCLSA-N 2 0 363.462 0.078 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582884 1204798515 /nfs/dbraw/zinc/79/85/15/1204798515.db2.gz HNMPGWUHTDEZFU-HZPDHXFCSA-N 2 0 365.522 0.569 20 0 FCADRP CCN(C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147583428 1204799331 /nfs/dbraw/zinc/79/93/31/1204799331.db2.gz PVZOOBLEAPFFJS-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664537 1204811499 /nfs/dbraw/zinc/81/14/99/1204811499.db2.gz RMBCJNLBWQEJFK-HLIPFELVSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091677230 1204817893 /nfs/dbraw/zinc/81/78/93/1204817893.db2.gz NDAGYFYUDSIFKH-LMMKCTJWSA-N 2 0 358.490 0.400 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716841 1204831881 /nfs/dbraw/zinc/83/18/81/1204831881.db2.gz WSMLRTCSIAQZSC-LMMKCTJWSA-N 2 0 360.506 0.933 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720915 1204832169 /nfs/dbraw/zinc/83/21/69/1204832169.db2.gz GVBIQNSAALPJNN-MDZRGWNJSA-N 2 0 360.506 0.970 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740807 1204838270 /nfs/dbraw/zinc/83/82/70/1204838270.db2.gz JRXWBWBTBMOGHB-SYNHAJSKSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)C1 ZINC001086875355 1204858718 /nfs/dbraw/zinc/85/87/18/1204858718.db2.gz PJSLIZKEVRHUBI-BFHYXJOUSA-N 2 0 370.448 0.869 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087000093 1204889191 /nfs/dbraw/zinc/88/91/91/1204889191.db2.gz GGDOKHBRFWYTLM-FHLIZLRMSA-N 2 0 363.506 0.417 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087009557 1204897082 /nfs/dbraw/zinc/89/70/82/1204897082.db2.gz MHNYVCSGBWOBST-BPQIPLTHSA-N 2 0 363.506 0.681 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087034984 1204910807 /nfs/dbraw/zinc/91/08/07/1204910807.db2.gz GNFZHWYSULZNIR-KBAYOESNSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087055388 1204935462 /nfs/dbraw/zinc/93/54/62/1204935462.db2.gz KDIZBIBSVUISRE-DTZQCDIJSA-N 2 0 364.494 0.406 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087055369 1204935704 /nfs/dbraw/zinc/93/57/04/1204935704.db2.gz JCNDXDPQRXSWMV-KLHDSHLOSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059496 1204944797 /nfs/dbraw/zinc/94/47/97/1204944797.db2.gz IZFFFLJOXCXZPZ-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087061264 1204948207 /nfs/dbraw/zinc/94/82/07/1204948207.db2.gz XQCANAMQCYMLNB-OIISXLGYSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087058827 1204966165 /nfs/dbraw/zinc/96/61/65/1204966165.db2.gz CLVZEWRTEMYXCW-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087058826 1204966897 /nfs/dbraw/zinc/96/68/97/1204966897.db2.gz CLVZEWRTEMYXCW-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083733 1204969928 /nfs/dbraw/zinc/96/99/28/1204969928.db2.gz QLYODIXLMGADRJ-GVDBMIGSSA-N 2 0 361.490 0.914 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083727 1204970138 /nfs/dbraw/zinc/97/01/38/1204970138.db2.gz QIQWDKDRYDWDQI-FVQBIDKESA-N 2 0 364.494 0.408 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083932 1204972541 /nfs/dbraw/zinc/97/25/41/1204972541.db2.gz YLNPCANBRKIOFT-BRWVUGGUSA-N 2 0 361.490 0.772 20 0 FCADRP CCO[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087098718 1204992973 /nfs/dbraw/zinc/99/29/73/1204992973.db2.gz JQTBMPBKLCXEDF-UKRRQHHQSA-N 2 0 361.450 0.042 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087100749 1204997046 /nfs/dbraw/zinc/99/70/46/1204997046.db2.gz BMJAGADGNJRLKL-IAGOWNOFSA-N 2 0 363.506 0.952 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001087101733 1204999532 /nfs/dbraw/zinc/99/95/32/1204999532.db2.gz YZGHMHQEFLFXSH-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001087101712 1204999572 /nfs/dbraw/zinc/99/95/72/1204999572.db2.gz YHGLXZFUCHLWPS-NUEKZKHPSA-N 2 0 365.478 0.988 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087101681 1204999729 /nfs/dbraw/zinc/99/97/29/1204999729.db2.gz XGUBRCIGNMUFRF-SJLPKXTDSA-N 2 0 361.490 0.834 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087096536 1205004863 /nfs/dbraw/zinc/00/48/63/1205004863.db2.gz QVDIMXVYTZBJJO-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776970 1205024639 /nfs/dbraw/zinc/02/46/39/1205024639.db2.gz PUTMHZGHCPSDOV-APWZRJJASA-N 2 0 362.518 0.731 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959609 1205093484 /nfs/dbraw/zinc/09/34/84/1205093484.db2.gz CBPCZESCKZCSLK-OHNRDTAOSA-N 2 0 362.474 0.870 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220428563 1224869143 /nfs/dbraw/zinc/86/91/43/1224869143.db2.gz ALMHLKIGEMWHHI-ROUUACIJSA-N 2 0 373.457 0.032 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092071359 1205134483 /nfs/dbraw/zinc/13/44/83/1205134483.db2.gz SMIUBINTKJTKDU-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)[C@@](C)(C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001092190911 1205188208 /nfs/dbraw/zinc/18/82/08/1205188208.db2.gz ZSUHARXCHIRQME-LSTHTHJFSA-N 2 0 358.486 0.729 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092204299 1205197046 /nfs/dbraw/zinc/19/70/46/1205197046.db2.gz XSHOPSFZTUXHEG-QRWLVFNGSA-N 2 0 371.485 0.774 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203640 1205197560 /nfs/dbraw/zinc/19/75/60/1205197560.db2.gz FNZBBYXERUVNTB-WTANOLMUSA-N 2 0 359.474 0.805 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273770 1205220965 /nfs/dbraw/zinc/22/09/65/1205220965.db2.gz RDIHZDPWCBBNIM-MDZRGWNJSA-N 2 0 360.506 0.838 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611310 1205320048 /nfs/dbraw/zinc/32/00/48/1205320048.db2.gz RAPISNJKRGNKDR-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611480 1205324102 /nfs/dbraw/zinc/32/41/02/1205324102.db2.gz XTGVPZWUQYAEJL-QGPMSJSTSA-N 2 0 362.518 0.633 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)O1 ZINC001220481447 1224887501 /nfs/dbraw/zinc/88/75/01/1224887501.db2.gz HKPOTJYJIGKZBQ-CFAJVAMVSA-N 2 0 373.494 0.667 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@]3(N)CCC[NH2+]C3)cc2)CC1 ZINC001220516375 1224899991 /nfs/dbraw/zinc/89/99/91/1224899991.db2.gz UYJFQDVUGCFHNZ-ZYJFZYNKSA-N 2 0 373.501 0.790 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H](c1cc2ccccc2[nH]1)N1CCC[C@H]([NH3+])C1 ZINC001220517258 1224900452 /nfs/dbraw/zinc/90/04/52/1224900452.db2.gz DAWLFGFIYPVLQL-LPHOPBHVSA-N 2 0 372.517 0.639 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)CC1(c2ccccc2F)CC[NH2+]CC1 ZINC001220519287 1224901375 /nfs/dbraw/zinc/90/13/75/1224901375.db2.gz JAFLUYLAEYFTBW-UHFFFAOYSA-N 2 0 367.465 0.945 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2ccc(OCC)cc2)CC[NH2+]C1 ZINC001220521399 1224904945 /nfs/dbraw/zinc/90/49/45/1224904945.db2.gz FZLZCTMJKLFPDP-INIZCTEOSA-N 2 0 361.442 0.882 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CCc3cc(OC)ccc32)CC[NH2+]C1 ZINC001220523524 1224904803 /nfs/dbraw/zinc/90/48/03/1224904803.db2.gz RCSZYZBNKQOROU-KRWDZBQOSA-N 2 0 359.426 0.809 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133009 1206032308 /nfs/dbraw/zinc/03/23/08/1206032308.db2.gz KPJJETZBDDNCKQ-NVXWUHKLSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137210 1206033596 /nfs/dbraw/zinc/03/35/96/1206033596.db2.gz SRRRKCIFSWCZLF-HUUCEWRRSA-N 2 0 359.474 0.678 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137001 1206034288 /nfs/dbraw/zinc/03/42/88/1206034288.db2.gz IECHHPSYZAKMPY-QLFBSQMISA-N 2 0 361.490 0.922 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137390 1206034836 /nfs/dbraw/zinc/03/48/36/1206034836.db2.gz ZLNTVLJHFVNRLR-HUUCEWRRSA-N 2 0 357.462 0.737 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093278467 1206070186 /nfs/dbraw/zinc/07/01/86/1206070186.db2.gz ATYNBXUPTUJYJY-UNEWFSDZSA-N 2 0 355.442 0.911 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)n1C ZINC001093821604 1206123136 /nfs/dbraw/zinc/12/31/36/1206123136.db2.gz CYGMISMBSSVUKN-DDUZABMNSA-N 2 0 362.522 0.902 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093824519 1206123818 /nfs/dbraw/zinc/12/38/18/1206123818.db2.gz ZEKFEEBSNTUSQD-SUYBPPKGSA-N 2 0 361.494 0.532 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)n1 ZINC001093822201 1206123897 /nfs/dbraw/zinc/12/38/97/1206123897.db2.gz MNHRCNPFECGSSI-ZIAGYGMSSA-N 2 0 365.478 0.884 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093824294 1206124024 /nfs/dbraw/zinc/12/40/24/1206124024.db2.gz OKTDMPRWPLPQST-XNRPHZJLSA-N 2 0 364.494 0.660 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001093824360 1206124358 /nfs/dbraw/zinc/12/43/58/1206124358.db2.gz RFFUMFLBUGACEP-SUYBPPKGSA-N 2 0 365.478 0.740 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093890257 1206144952 /nfs/dbraw/zinc/14/49/52/1206144952.db2.gz BRNXBPOIGSOQIL-RBSFLKMASA-N 2 0 362.474 0.104 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C)c1nnnn1C ZINC001093920228 1206149693 /nfs/dbraw/zinc/14/96/93/1206149693.db2.gz YSYKVZBKMGDFRA-VNHYZAJKSA-N 2 0 368.445 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093961043 1206159085 /nfs/dbraw/zinc/15/90/85/1206159085.db2.gz STTRNDLPCSEIQM-KFWWJZLASA-N 2 0 364.490 0.350 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094010712 1206169845 /nfs/dbraw/zinc/16/98/45/1206169845.db2.gz KNUNBVVCRPMUCA-CRAIPNDOSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)C1 ZINC001094041909 1206174214 /nfs/dbraw/zinc/17/42/14/1206174214.db2.gz IBVXOKYVRMKHTE-RBSFLKMASA-N 2 0 361.494 0.534 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094166265 1206197741 /nfs/dbraw/zinc/19/77/41/1206197741.db2.gz STRUSEGRYUBUAN-QLFBSQMISA-N 2 0 361.494 0.534 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)N(O)N=O ZINC001171876988 1206252251 /nfs/dbraw/zinc/25/22/51/1206252251.db2.gz GFTMMSTVEIMSJM-INIZCTEOSA-N 2 0 364.450 0.819 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117673 1206257750 /nfs/dbraw/zinc/25/77/50/1206257750.db2.gz RDGOYSSTLDCUKT-ZNNZTCFKSA-N 2 0 371.485 0.921 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172164285 1206258557 /nfs/dbraw/zinc/25/85/57/1206258557.db2.gz YWRXYDHXZFOEHB-GJZGRUSLSA-N 2 0 365.474 0.736 20 0 FCADRP CC[N@@H+]1CC[C@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1 ZINC001173362352 1206269745 /nfs/dbraw/zinc/26/97/45/1206269745.db2.gz DZHXLMHLRPWBIX-FUHWJXTLSA-N 2 0 362.522 0.921 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCN(C)CC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173526786 1206279886 /nfs/dbraw/zinc/27/98/86/1206279886.db2.gz XXEYICBQLGMYOB-RDTXWAMCSA-N 2 0 372.510 0.798 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173745937 1206287176 /nfs/dbraw/zinc/28/71/76/1206287176.db2.gz WSILSWICUURIEQ-DLBZAZTESA-N 2 0 370.498 0.535 20 0 FCADRP C[C@H](C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)N1CCCC1 ZINC001180576741 1206395750 /nfs/dbraw/zinc/39/57/50/1206395750.db2.gz ACJLKYOKNAPSRM-LTIDMASMSA-N 2 0 359.474 0.918 20 0 FCADRP C[C@H](C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)[NH+]1CCCC1 ZINC001180579243 1206395971 /nfs/dbraw/zinc/39/59/71/1206395971.db2.gz KEGLPQCRUZXDJR-CYBMUJFWSA-N 2 0 363.462 0.335 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496220 1206438126 /nfs/dbraw/zinc/43/81/26/1206438126.db2.gz ZVLVHDQSYJZCHT-LSDHHAIUSA-N 2 0 366.506 0.391 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001182630272 1206440172 /nfs/dbraw/zinc/44/01/72/1206440172.db2.gz RUTDTVHVZWBTBR-HNNXBMFYSA-N 2 0 374.526 0.604 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001182692071 1206442398 /nfs/dbraw/zinc/44/23/98/1206442398.db2.gz AYWZIYDRNRQNRR-QLFBSQMISA-N 2 0 360.462 0.336 20 0 FCADRP CC(C)(C)OC(=O)N[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1CCOCC1 ZINC001183522977 1206454173 /nfs/dbraw/zinc/45/41/73/1206454173.db2.gz HEEYJUZNZSGMFK-ZDUSSCGKSA-N 2 0 371.482 0.767 20 0 FCADRP CC(C)(C)OC(=O)NC1(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CCOCC1 ZINC001184448968 1206470571 /nfs/dbraw/zinc/47/05/71/1206470571.db2.gz BEHHTLJCZGBNGU-UHFFFAOYSA-N 2 0 371.482 0.911 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000774782470 1206473210 /nfs/dbraw/zinc/47/32/10/1206473210.db2.gz WUKMGPOLKVOZRM-RCCFBDPRSA-N 2 0 374.485 0.385 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273512236 1206489786 /nfs/dbraw/zinc/48/97/86/1206489786.db2.gz RHXNHIHKKLIKIL-ZJPYXAASSA-N 2 0 360.502 0.624 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)C1 ZINC001186370607 1206495847 /nfs/dbraw/zinc/49/58/47/1206495847.db2.gz YNVZQBSQPBWLNZ-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001220637502 1224978537 /nfs/dbraw/zinc/97/85/37/1224978537.db2.gz FTHBVGKEMOOPIU-MOPGFXCFSA-N 2 0 361.486 0.767 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2N2CC[NH2+]CC2)CCC2(CC1)OCCO2 ZINC001220651269 1224989662 /nfs/dbraw/zinc/98/96/62/1224989662.db2.gz IJJCTFYHQCXXRM-UHFFFAOYSA-N 2 0 374.485 0.727 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001220651459 1224990450 /nfs/dbraw/zinc/99/04/50/1224990450.db2.gz LACDFLKLPCNUED-OXQOHEQNSA-N 2 0 358.486 0.871 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)[C@@H]2C1 ZINC001188932559 1207489397 /nfs/dbraw/zinc/48/93/97/1207489397.db2.gz ZRPKOOMMVXCWPB-BBWFWOEESA-N 2 0 366.506 0.107 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035284 1207498014 /nfs/dbraw/zinc/49/80/14/1207498014.db2.gz ULJSIVJEZOUSRZ-GBESFXJTSA-N 2 0 367.534 0.894 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001189054340 1207498728 /nfs/dbraw/zinc/49/87/28/1207498728.db2.gz DOVRLOUMQPGKNZ-LSDHHAIUSA-N 2 0 363.510 0.455 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189811179 1207604051 /nfs/dbraw/zinc/60/40/51/1207604051.db2.gz VKEANMISRBUTMG-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820063 1207604551 /nfs/dbraw/zinc/60/45/51/1207604551.db2.gz MSFQRPOSWDCEMY-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C34CC[NH+](CC3)CC4)C2)C1 ZINC001273589656 1207623252 /nfs/dbraw/zinc/62/32/52/1207623252.db2.gz ODQKFQWBTIXFLR-HXUWFJFHSA-N 2 0 364.534 0.727 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148952 1207647631 /nfs/dbraw/zinc/64/76/31/1207647631.db2.gz NBXIZDMEJHTKJD-OKZBNKHCSA-N 2 0 360.506 0.933 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688241 1225016326 /nfs/dbraw/zinc/01/63/26/1225016326.db2.gz BBFJGUPEUDDTDL-QRVBRYPASA-N 2 0 363.502 0.747 20 0 FCADRP CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014971 1207816137 /nfs/dbraw/zinc/81/61/37/1207816137.db2.gz ZIYMOOUVWNBMIR-GUDVDZBRSA-N 2 0 361.486 0.501 20 0 FCADRP CCc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193446950 1207872810 /nfs/dbraw/zinc/87/28/10/1207872810.db2.gz FDEKNPXGUSVYFE-DJIMGWMZSA-N 2 0 370.469 0.887 20 0 FCADRP CC[N@H+](C)CC(=O)N1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001273665656 1207893241 /nfs/dbraw/zinc/89/32/41/1207893241.db2.gz ARHSTUKVLISHDO-PVAVHDDUSA-N 2 0 366.506 0.155 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666112 1207894044 /nfs/dbraw/zinc/89/40/44/1207894044.db2.gz GSDJNCJGDCEPJN-MRXNPFEDSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001194102974 1207918641 /nfs/dbraw/zinc/91/86/41/1207918641.db2.gz QZYWCEGVWXSNEX-GVDBMIGSSA-N 2 0 369.506 0.075 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001220714522 1225031364 /nfs/dbraw/zinc/03/13/64/1225031364.db2.gz OMXAXIOOVGIZOK-WFASDCNBSA-N 2 0 363.462 0.612 20 0 FCADRP CC(C)CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195701870 1208035729 /nfs/dbraw/zinc/03/57/29/1208035729.db2.gz RINQZZZKYWQVHA-IAGOWNOFSA-N 2 0 370.538 0.383 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2cnn(Cc3ccccc3)c2)C[C@H]1O ZINC001195859015 1208041269 /nfs/dbraw/zinc/04/12/69/1208041269.db2.gz AXGPQZQVBASLBG-RTBURBONSA-N 2 0 371.485 0.544 20 0 FCADRP CCOc1ccccc1OCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871647 1208044872 /nfs/dbraw/zinc/04/48/72/1208044872.db2.gz RGYIJNVSLWAUFY-HZPDHXFCSA-N 2 0 365.474 0.577 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196222386 1208067358 /nfs/dbraw/zinc/06/73/58/1208067358.db2.gz MPEMRTZBFBJYPM-BRWVUGGUSA-N 2 0 371.522 0.321 20 0 FCADRP Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)o1 ZINC001196306711 1208071030 /nfs/dbraw/zinc/07/10/30/1208071030.db2.gz GYPNNIQOOPZPPK-IAOVAPTHSA-N 2 0 366.462 0.145 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O)C(C)C ZINC001197026083 1208133300 /nfs/dbraw/zinc/13/33/00/1208133300.db2.gz ZAJYUKZCZBTTLE-KZNAEPCWSA-N 2 0 365.522 0.756 20 0 FCADRP CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197403162 1208159761 /nfs/dbraw/zinc/15/97/61/1208159761.db2.gz FFCLKEBVLYGVEM-DJIMGWMZSA-N 2 0 368.522 0.183 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001197723031 1208190526 /nfs/dbraw/zinc/19/05/26/1208190526.db2.gz CQXNMDXHZRWHHQ-IAGOWNOFSA-N 2 0 368.522 0.329 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001197949384 1208208399 /nfs/dbraw/zinc/20/83/99/1208208399.db2.gz RAMJDVMARNFYQZ-GUDVDZBRSA-N 2 0 363.502 0.483 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000104533071 1208264389 /nfs/dbraw/zinc/26/43/89/1208264389.db2.gz ZCGAJLMTHLNTQX-QGZVFWFLSA-N 2 0 374.489 0.058 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663136 1208280815 /nfs/dbraw/zinc/28/08/15/1208280815.db2.gz XYNMFDVCJPKBIE-BMGDILEWSA-N 2 0 365.449 0.708 20 0 FCADRP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220751786 1225053944 /nfs/dbraw/zinc/05/39/44/1225053944.db2.gz XPSRELBSXMBKSN-WMCAYINRSA-N 3 0 374.488 0.899 20 0 FCADRP C[C@@H](NC(=O)C(F)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000867306500 1208329103 /nfs/dbraw/zinc/32/91/03/1208329103.db2.gz MPIAKMFRCYPBBT-ZIAGYGMSSA-N 2 0 366.481 0.858 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001273794574 1208374773 /nfs/dbraw/zinc/37/47/73/1208374773.db2.gz HPRXVTDXDZGBDL-HXUWFJFHSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1O ZINC001220764131 1225060431 /nfs/dbraw/zinc/06/04/31/1225060431.db2.gz AHHDMSIBQBSEDD-QRVBRYPASA-N 2 0 361.486 0.804 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273834291 1208409304 /nfs/dbraw/zinc/40/93/04/1208409304.db2.gz CMYWYXXZDOVPCX-IRXDYDNUSA-N 2 0 360.502 0.483 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCOC)C1 ZINC001691701247 1208417782 /nfs/dbraw/zinc/41/77/82/1208417782.db2.gz NLKZBAKDNGLCJC-KSZLIROESA-N 2 0 363.506 0.825 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4cn[nH]c4)C[C@H]32)CC1 ZINC001273849316 1208432796 /nfs/dbraw/zinc/43/27/96/1208432796.db2.gz ZMHDHOBBCLSQOR-ZWKOTPCHSA-N 2 0 360.506 0.468 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001273855704 1208434429 /nfs/dbraw/zinc/43/44/29/1208434429.db2.gz VIBDSWAEAXCYOJ-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CCC3)CC2)O1 ZINC001201230420 1208449284 /nfs/dbraw/zinc/44/92/84/1208449284.db2.gz PXEQAAMVXMHSQS-RHSMWYFYSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220801517 1225080316 /nfs/dbraw/zinc/08/03/16/1225080316.db2.gz ZYHINKCNAPYMTI-QJPTWQEYSA-N 2 0 372.395 0.186 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220802958 1225081435 /nfs/dbraw/zinc/08/14/35/1225081435.db2.gz AKTSVEGUNSILLQ-RDBSUJKOSA-N 2 0 372.391 0.329 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2(Cc3ccccn3)CC[NH2+]CC2)C[NH2+]C1 ZINC001220825546 1225090184 /nfs/dbraw/zinc/09/01/84/1225090184.db2.gz LPFPNZHIFAKUPA-UHFFFAOYSA-N 2 0 358.442 0.531 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489399596 1208832053 /nfs/dbraw/zinc/83/20/53/1208832053.db2.gz VNJWLGUXPRVLPU-IXDOHACOSA-N 2 0 368.522 0.279 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)C[NH2+]C1 ZINC001220829845 1225093697 /nfs/dbraw/zinc/09/36/97/1225093697.db2.gz BFHHMSCXUQZDLN-UHFFFAOYSA-N 2 0 358.442 0.870 20 0 FCADRP O=C(CC1(c2ccccc2F)CC[NH2+]CC1)NCCN1CCNCC1=O ZINC001220874368 1225119013 /nfs/dbraw/zinc/11/90/13/1225119013.db2.gz HCRAEZSVZJTAAM-UHFFFAOYSA-N 2 0 362.449 0.385 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC001490044921 1209225417 /nfs/dbraw/zinc/22/54/17/1209225417.db2.gz YAYFKHZHLQPVBF-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000850828469 1209491835 /nfs/dbraw/zinc/49/18/35/1209491835.db2.gz MTXXLXVNJISVSJ-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926271 1225144682 /nfs/dbraw/zinc/14/46/82/1225144682.db2.gz DUNMISYUCLNNRS-KRWDZBQOSA-N 2 0 359.474 0.360 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220936379 1225148771 /nfs/dbraw/zinc/14/87/71/1225148771.db2.gz FSTWSPCNZBPIEW-QFBILLFUSA-N 2 0 371.485 0.609 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853683406 1209603228 /nfs/dbraw/zinc/60/32/28/1209603228.db2.gz SDJBXRGUMMPMMU-OKZBNKHCSA-N 2 0 366.506 0.746 20 0 FCADRP O=C(NCC1CCN(c2cnccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220932264 1225147727 /nfs/dbraw/zinc/14/77/27/1225147727.db2.gz JNMDGEMGYQAEAR-MRXNPFEDSA-N 2 0 358.490 0.683 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)n3cc(C[NH3+])cnc3=N)cc(=O)oc2c1 ZINC001220951339 1225154928 /nfs/dbraw/zinc/15/49/28/1225154928.db2.gz YCGAFLSRAIUHRS-AWEZNQCLSA-N 2 0 369.381 0.146 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718060 1209742421 /nfs/dbraw/zinc/74/24/21/1209742421.db2.gz WVYDZBQGXPYNAO-TWMKSMIVSA-N 2 0 369.506 0.074 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccn1 ZINC000857444253 1209752979 /nfs/dbraw/zinc/75/29/79/1209752979.db2.gz PBDVROSDERGIPA-GOSISDBHSA-N 2 0 355.442 0.839 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001220969284 1225164932 /nfs/dbraw/zinc/16/49/32/1225164932.db2.gz VYMOJOJQBNWOQX-HOTGVXAUSA-N 2 0 362.449 0.713 20 0 FCADRP COc1ccccc1Cn1cncc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220969347 1225165245 /nfs/dbraw/zinc/16/52/45/1225165245.db2.gz YFGIHRFAKALRKB-OXQOHEQNSA-N 2 0 369.469 0.755 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001220971096 1225166446 /nfs/dbraw/zinc/16/64/46/1225166446.db2.gz TVYCCJTUYMASAE-INIZCTEOSA-N 2 0 360.458 0.001 20 0 FCADRP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(F)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864962364 1209968734 /nfs/dbraw/zinc/96/87/34/1209968734.db2.gz LDNHIDPRDWZKOG-KBPBESRZSA-N 2 0 366.481 0.526 20 0 FCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(F)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000866044240 1209989968 /nfs/dbraw/zinc/98/99/68/1209989968.db2.gz PCXOQWGFQWGGNC-WCVJEAGWSA-N 2 0 370.513 0.922 20 0 FCADRP CC[NH+](C)C[C@@H]1CCN(C(=O)C(F)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000866193165 1209993572 /nfs/dbraw/zinc/99/35/72/1209993572.db2.gz LDOGCYCLVNLKOZ-HOTGVXAUSA-N 2 0 370.513 0.925 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002195 1225182050 /nfs/dbraw/zinc/18/20/50/1225182050.db2.gz IZVDOPYGPFKESH-BQFCYCMXSA-N 2 0 356.474 0.984 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868228849 1210045465 /nfs/dbraw/zinc/04/54/65/1210045465.db2.gz IJCZFAJRMRKDFR-DOTOQJQBSA-N 2 0 365.522 0.665 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3C[NH2+]C3)cc2F)CC1 ZINC000868248849 1210046742 /nfs/dbraw/zinc/04/67/42/1210046742.db2.gz XGRLMMMJOZWHSR-UHFFFAOYSA-N 2 0 363.437 0.242 20 0 FCADRP CC[NH+](CC(=O)N1CCO[C@@H](CNC(=O)C[N@@H+](CC)C2CC2)C1)C1CC1 ZINC000871460751 1210156569 /nfs/dbraw/zinc/15/65/69/1210156569.db2.gz CQIDVCITLYJLEP-KRWDZBQOSA-N 2 0 366.506 0.299 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC12CCC2 ZINC000875159433 1210344767 /nfs/dbraw/zinc/34/47/67/1210344767.db2.gz JWGKCMYSQDFMRW-QGZVFWFLSA-N 2 0 371.485 0.769 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000875182595 1210348305 /nfs/dbraw/zinc/34/83/05/1210348305.db2.gz SOWFLMUZZMONIF-QGZVFWFLSA-N 2 0 368.522 0.450 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070165 1225208928 /nfs/dbraw/zinc/20/89/28/1225208928.db2.gz ICAIXJCISOCTEW-ZDGDKENJSA-N 2 0 371.522 0.636 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876777797 1210428747 /nfs/dbraw/zinc/42/87/47/1210428747.db2.gz TXSOULWZKNBETG-QGZVFWFLSA-N 2 0 362.522 0.872 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221081638 1225213875 /nfs/dbraw/zinc/21/38/75/1225213875.db2.gz QZFZFXWPFBYRSX-QRVBRYPASA-N 2 0 367.534 0.965 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880297354 1210525142 /nfs/dbraw/zinc/52/51/42/1210525142.db2.gz MCJOCCLKJINUKY-CYBMUJFWSA-N 2 0 361.425 0.303 20 0 FCADRP CC(=O)N1C[C@@H]2C[NH+](C/C=C/C[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311984 1210527712 /nfs/dbraw/zinc/52/77/12/1210527712.db2.gz QTUAFAPQPBNLLD-VBPDQNBMSA-N 2 0 360.502 0.363 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116070 1225227995 /nfs/dbraw/zinc/22/79/95/1225227995.db2.gz KGORBICDFLGLDE-YOEHRIQHSA-N 2 0 361.490 0.309 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)C1 ZINC001221115860 1225228080 /nfs/dbraw/zinc/22/80/80/1225228080.db2.gz ARCCQLCNDUANMF-MRXNPFEDSA-N 2 0 359.518 0.891 20 0 FCADRP C[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000883112886 1210653924 /nfs/dbraw/zinc/65/39/24/1210653924.db2.gz BONCSJAQEYLGTC-INIZCTEOSA-N 2 0 374.489 0.466 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)CN1CCOCC1 ZINC000883441659 1210667329 /nfs/dbraw/zinc/66/73/29/1210667329.db2.gz UXWZSCJRBWEUGL-FUHWJXTLSA-N 2 0 368.522 0.897 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604240 1210673746 /nfs/dbraw/zinc/67/37/46/1210673746.db2.gz QWKLBDYPFSEUEU-CRAIPNDOSA-N 2 0 371.485 0.859 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883604098 1210673771 /nfs/dbraw/zinc/67/37/71/1210673771.db2.gz MMLIZZRQDWCGQZ-QGZVFWFLSA-N 2 0 359.474 0.635 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883607428 1210674249 /nfs/dbraw/zinc/67/42/49/1210674249.db2.gz UWYMFYQYTZXOHX-ZWKOTPCHSA-N 2 0 371.485 0.763 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883638247 1210677275 /nfs/dbraw/zinc/67/72/75/1210677275.db2.gz HBSLZECKVWMJHC-LTBNCBHWSA-N 2 0 371.485 0.860 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883638699 1210677281 /nfs/dbraw/zinc/67/72/81/1210677281.db2.gz UMEAUVPDYGZLSP-DOTOQJQBSA-N 2 0 361.490 0.951 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883643491 1210678182 /nfs/dbraw/zinc/67/81/82/1210678182.db2.gz NAOQOWBFOYXDKK-OXQOHEQNSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CCN1c1cc[nH+]cc1 ZINC000883641674 1210678347 /nfs/dbraw/zinc/67/83/47/1210678347.db2.gz UBWTZIYMWQFYRC-HNNXBMFYSA-N 2 0 357.458 0.473 20 0 FCADRP CN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1(C[NH3+])CCCCC1 ZINC000883652555 1210680122 /nfs/dbraw/zinc/68/01/22/1210680122.db2.gz SAHFBJBMUDQNJL-UHFFFAOYSA-N 2 0 359.474 0.850 20 0 FCADRP CC(C)OCCN1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000883658679 1210681830 /nfs/dbraw/zinc/68/18/30/1210681830.db2.gz LERVZWAWTLWKLP-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000884207818 1210723613 /nfs/dbraw/zinc/72/36/13/1210723613.db2.gz HCADIEKORZEZEY-MRXNPFEDSA-N 2 0 362.474 0.602 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884405775 1210733706 /nfs/dbraw/zinc/73/37/06/1210733706.db2.gz CSMRRNWSAFUTEG-INIZCTEOSA-N 2 0 360.458 0.781 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCO1 ZINC000884420597 1210734752 /nfs/dbraw/zinc/73/47/52/1210734752.db2.gz YETYQJNBAPPKFW-KRWDZBQOSA-N 2 0 361.490 0.674 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884490891 1210738999 /nfs/dbraw/zinc/73/89/99/1210738999.db2.gz IYCVCTLPUWDRSW-IAGOWNOFSA-N 2 0 358.486 0.938 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884510052 1210741831 /nfs/dbraw/zinc/74/18/31/1210741831.db2.gz XFZJYXJBJIXGAC-JCGIZDLHSA-N 2 0 371.485 0.686 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884509357 1210741880 /nfs/dbraw/zinc/74/18/80/1210741880.db2.gz DJUSILNHAVZFBY-FMKPAKJESA-N 2 0 359.474 0.671 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884509322 1210741952 /nfs/dbraw/zinc/74/19/52/1210741952.db2.gz CNVQNURGKAXWCC-WMLDXEAASA-N 2 0 359.474 0.673 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884516538 1210742900 /nfs/dbraw/zinc/74/29/00/1210742900.db2.gz MYBXBXDJCJZSQR-INIZCTEOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572792 1210754046 /nfs/dbraw/zinc/75/40/46/1210754046.db2.gz VYTDUXCDFWPSBV-CYGHRXIMSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572794 1210754507 /nfs/dbraw/zinc/75/45/07/1210754507.db2.gz VYTDUXCDFWPSBV-UOVPBQLFSA-N 2 0 358.486 0.961 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884577325 1210755171 /nfs/dbraw/zinc/75/51/71/1210755171.db2.gz CJFNPLLLAOCSJD-OALUTQOASA-N 2 0 370.497 0.904 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577151 1210755286 /nfs/dbraw/zinc/75/52/86/1210755286.db2.gz YPFZELMUCIIFAZ-HOTGVXAUSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000884577893 1210755359 /nfs/dbraw/zinc/75/53/59/1210755359.db2.gz ODFYXCGDPJVFOA-KBAYOESNSA-N 2 0 358.486 0.993 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884603116 1210759585 /nfs/dbraw/zinc/75/95/85/1210759585.db2.gz BYOSYGBJNJGIHX-DNVCBOLYSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884604951 1210760937 /nfs/dbraw/zinc/76/09/37/1210760937.db2.gz RXVFIAXLAZBIFM-XGXHKWSGSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000884607944 1210761621 /nfs/dbraw/zinc/76/16/21/1210761621.db2.gz IQGHTRXTEGDELA-CABCVRRESA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000884608927 1210762070 /nfs/dbraw/zinc/76/20/70/1210762070.db2.gz ZMEQKLPYBSZKTP-WRWLIDTKSA-N 2 0 358.486 0.963 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616984 1210763398 /nfs/dbraw/zinc/76/33/98/1210763398.db2.gz FULRSSNUCJSOGK-HZPDHXFCSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000884623357 1210764929 /nfs/dbraw/zinc/76/49/29/1210764929.db2.gz ANUUQTSZSOTSDH-KDOFPFPSSA-N 2 0 356.470 0.584 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631628 1210767656 /nfs/dbraw/zinc/76/76/56/1210767656.db2.gz QOIZAUDDAOCCEP-ROUUACIJSA-N 2 0 356.470 0.418 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884643861 1210771540 /nfs/dbraw/zinc/77/15/40/1210771540.db2.gz VCXQQUGMNARGSE-WBAXXEDZSA-N 2 0 356.470 0.901 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884646285 1210771971 /nfs/dbraw/zinc/77/19/71/1210771971.db2.gz NXNHRXUJJOFZNN-KBAYOESNSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884674168 1210776531 /nfs/dbraw/zinc/77/65/31/1210776531.db2.gz PDQXARBYPLUUIY-BBTUJRGHSA-N 2 0 370.497 0.835 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000884675770 1210776737 /nfs/dbraw/zinc/77/67/37/1210776737.db2.gz PJQOJTKRUXLPGF-GOSISDBHSA-N 2 0 374.485 0.180 20 0 FCADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000884675771 1210777088 /nfs/dbraw/zinc/77/70/88/1210777088.db2.gz PJQOJTKRUXLPGF-SFHVURJKSA-N 2 0 374.485 0.180 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884674864 1210777458 /nfs/dbraw/zinc/77/74/58/1210777458.db2.gz KETXAVLWMYPQID-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681418 1210779552 /nfs/dbraw/zinc/77/95/52/1210779552.db2.gz VEARINICASBDEZ-NEWSRXKRSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000884683687 1210780464 /nfs/dbraw/zinc/78/04/64/1210780464.db2.gz LFWPGTJTNFAGNY-OWCLPIDISA-N 2 0 359.474 0.623 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000884690849 1210781268 /nfs/dbraw/zinc/78/12/68/1210781268.db2.gz NNISDVGLZRGVDA-YJBOKZPZSA-N 2 0 367.453 0.935 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000884690847 1210781746 /nfs/dbraw/zinc/78/17/46/1210781746.db2.gz NNISDVGLZRGVDA-MAUKXSAKSA-N 2 0 367.453 0.935 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000884716756 1210786560 /nfs/dbraw/zinc/78/65/60/1210786560.db2.gz ICFRUBFVSPXOEW-OGWHTMIXSA-N 2 0 372.513 0.985 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000884720723 1210788729 /nfs/dbraw/zinc/78/87/29/1210788729.db2.gz TUWBYYADBAYKCJ-NJAFHUGGSA-N 2 0 358.486 0.800 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884723175 1210789717 /nfs/dbraw/zinc/78/97/17/1210789717.db2.gz APNWETBCDDTGLT-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000884727860 1210791468 /nfs/dbraw/zinc/79/14/68/1210791468.db2.gz CDWDPSYIMLROLE-ADKAHSJRSA-N 2 0 358.486 0.806 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884775020 1210793277 /nfs/dbraw/zinc/79/32/77/1210793277.db2.gz WNCLGSBFZYYDID-WCVJEAGWSA-N 2 0 368.522 0.495 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884775021 1210793649 /nfs/dbraw/zinc/79/36/49/1210793649.db2.gz WOHHGTZCJUAZAX-HRCADAONSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000884779481 1210794201 /nfs/dbraw/zinc/79/42/01/1210794201.db2.gz YHFYRLPNCDSTJX-YOEHRIQHSA-N 2 0 359.474 0.358 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789849 1210795604 /nfs/dbraw/zinc/79/56/04/1210795604.db2.gz DOSPPGFLKFMTRE-BQSYYEAHSA-N 2 0 370.497 0.739 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000884819637 1210798596 /nfs/dbraw/zinc/79/85/96/1210798596.db2.gz HULVSQOGDWDURR-SZMVWBNQSA-N 2 0 358.486 0.942 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832837 1210799535 /nfs/dbraw/zinc/79/95/35/1210799535.db2.gz AWKYQRYPKNKFKL-RYRKJORJSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834296 1210800243 /nfs/dbraw/zinc/80/02/43/1210800243.db2.gz UYVWNNSPMWMYNR-LULLPPNCSA-N 2 0 370.497 0.549 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000884834953 1210800306 /nfs/dbraw/zinc/80/03/06/1210800306.db2.gz HSPQRUADRXYANO-NJAFHUGGSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833224 1210800327 /nfs/dbraw/zinc/80/03/27/1210800327.db2.gz IOARDAXRRKRMJV-UBDQQSCGSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834480 1210800365 /nfs/dbraw/zinc/80/03/65/1210800365.db2.gz XCKUJOULTQMWAL-OWYHZJEWSA-N 2 0 370.497 0.834 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884834970 1210800516 /nfs/dbraw/zinc/80/05/16/1210800516.db2.gz ICDQRBVZHFFLKF-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884838953 1210800831 /nfs/dbraw/zinc/80/08/31/1210800831.db2.gz SBZFHRRQOGCNQV-UHFFFAOYSA-N 2 0 358.486 0.893 20 0 FCADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000885152724 1210812878 /nfs/dbraw/zinc/81/28/78/1210812878.db2.gz VJVGMFOFSZHODT-KRWDZBQOSA-N 2 0 358.486 0.760 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885152757 1210813015 /nfs/dbraw/zinc/81/30/15/1210813015.db2.gz VXVZXUNGSYAGCH-SQNIBIBYSA-N 2 0 356.470 0.370 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885156023 1210813616 /nfs/dbraw/zinc/81/36/16/1210813616.db2.gz JCTVUDCKOKRHDK-SFHVURJKSA-N 2 0 360.502 0.863 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156599 1210813643 /nfs/dbraw/zinc/81/36/43/1210813643.db2.gz YQMALQWDMZCQNN-MAUKXSAKSA-N 2 0 358.486 0.617 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000885162290 1210814041 /nfs/dbraw/zinc/81/40/41/1210814041.db2.gz KGPKPMJYEBYFAH-WMZOPIPTSA-N 2 0 356.470 0.512 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000885290555 1210817437 /nfs/dbraw/zinc/81/74/37/1210817437.db2.gz DWZUTEDZGPXCPT-CABCVRRESA-N 2 0 372.460 0.824 20 0 FCADRP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869173 1210821128 /nfs/dbraw/zinc/82/11/28/1210821128.db2.gz PRDAWRYODXMRBG-TZIWHRDSSA-N 2 0 373.497 0.993 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872187 1210838839 /nfs/dbraw/zinc/83/88/39/1210838839.db2.gz LSBIXSYDYHNXMM-UYAOXDASSA-N 2 0 366.550 0.925 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887070909 1210846090 /nfs/dbraw/zinc/84/60/90/1210846090.db2.gz VYZDENCUPCMHKI-MOPGFXCFSA-N 2 0 372.513 0.972 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887074351 1210846096 /nfs/dbraw/zinc/84/60/96/1210846096.db2.gz UUBSXOKZDAGXPJ-ZWKOTPCHSA-N 2 0 358.486 0.774 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887091493 1210847046 /nfs/dbraw/zinc/84/70/46/1210847046.db2.gz MHOCWHZEWLUEAS-RDJZCZTQSA-N 2 0 361.490 0.951 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887091734 1210847087 /nfs/dbraw/zinc/84/70/87/1210847087.db2.gz UVYGAUVJBUTIHD-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP O=C(NCc1ccc(N2CCCNC2=O)cc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221155852 1225243416 /nfs/dbraw/zinc/24/34/16/1225243416.db2.gz SRPWSIPZOAGLAE-DNVCBOLYSA-N 2 0 357.458 0.422 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887448899 1210858342 /nfs/dbraw/zinc/85/83/42/1210858342.db2.gz JEBLXPLAZYVJLE-PKOBYXMFSA-N 2 0 358.490 0.694 20 0 FCADRP CN1CCC([NH+]2CCC(N3C(=O)[C@H]4[C@H](O)CCCN4C3=O)CC2)CC1 ZINC000349350742 1210866336 /nfs/dbraw/zinc/86/63/36/1210866336.db2.gz VZEUHXWHQKBBFG-HZPDHXFCSA-N 2 0 350.463 0.333 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083337 1210875695 /nfs/dbraw/zinc/87/56/95/1210875695.db2.gz DPWGNKBZAPTKTR-DOTOQJQBSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1)[NH+](C)C ZINC001274157151 1210898872 /nfs/dbraw/zinc/89/88/72/1210898872.db2.gz IPPMBMPSHAKCML-FSDCSDTHSA-N 2 0 366.506 0.153 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001274400439 1211044970 /nfs/dbraw/zinc/04/49/70/1211044970.db2.gz IDWBCYMOUTUMQR-DLBZAZTESA-N 2 0 360.502 0.767 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001275053571 1211172606 /nfs/dbraw/zinc/17/26/06/1211172606.db2.gz MDOUWNBPXSWZIQ-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)C[C@]3(CCC[N@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123895 1211176670 /nfs/dbraw/zinc/17/66/70/1211176670.db2.gz STKCCQXGMUFOPD-FQEVSTJZSA-N 2 0 362.518 0.875 20 0 FCADRP Cc1nn(C)c(C)c1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275161507 1211185053 /nfs/dbraw/zinc/18/50/53/1211185053.db2.gz FYBURVCVDJUBNX-IBGZPJMESA-N 2 0 363.506 0.649 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372417 1211225559 /nfs/dbraw/zinc/22/55/59/1211225559.db2.gz CFTKPCBUNLRGGB-IBGZPJMESA-N 2 0 361.490 0.737 20 0 FCADRP CN1C[C@]2(CC[N@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)OCC1=O ZINC001275401809 1211231431 /nfs/dbraw/zinc/23/14/31/1211231431.db2.gz PLGBBSGHGWKOER-FQEVSTJZSA-N 2 0 358.486 0.872 20 0 FCADRP CCc1nccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275453093 1211240572 /nfs/dbraw/zinc/24/05/72/1211240572.db2.gz AIKXJVSQZWFNFO-IBGZPJMESA-N 2 0 359.474 0.942 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3cnccn3)C2)C1=O ZINC001275472986 1211247228 /nfs/dbraw/zinc/24/72/28/1211247228.db2.gz RVDLKFCVQPGEIM-SFHVURJKSA-N 2 0 354.414 0.751 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507567 1211252100 /nfs/dbraw/zinc/25/21/00/1211252100.db2.gz FKPMHMHSMMGYCI-LJQANCHMSA-N 2 0 366.506 0.551 20 0 FCADRP Cn1cncc1CN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555227 1211255803 /nfs/dbraw/zinc/25/58/03/1211255803.db2.gz PFMHLVXLBYMWME-LJQANCHMSA-N 2 0 361.490 0.565 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556947 1211256464 /nfs/dbraw/zinc/25/64/64/1211256464.db2.gz QWGNNNCRWBJPCQ-DNVCBOLYSA-N 2 0 367.490 0.583 20 0 FCADRP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556516 1211256600 /nfs/dbraw/zinc/25/66/00/1211256600.db2.gz MPVHCVMVYLWPIX-IBGZPJMESA-N 2 0 366.506 0.015 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C3)CC1 ZINC001275576340 1211258704 /nfs/dbraw/zinc/25/87/04/1211258704.db2.gz HMWVDMMKQGVJAT-AKCHCHLHSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)OCC1=O ZINC001275619998 1211263644 /nfs/dbraw/zinc/26/36/44/1211263644.db2.gz NTXKYHRQCDXXJZ-IBGZPJMESA-N 2 0 361.442 0.780 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789656 1211283507 /nfs/dbraw/zinc/28/35/07/1211283507.db2.gz JAQMXZFMBQKAKH-FQEVSTJZSA-N 2 0 364.534 0.727 20 0 FCADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(CCC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275800621 1211286125 /nfs/dbraw/zinc/28/61/25/1211286125.db2.gz UOVAKABMLUVAQU-QGZVFWFLSA-N 2 0 361.490 0.681 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833320 1211293634 /nfs/dbraw/zinc/29/36/34/1211293634.db2.gz BAAQBKKAIBTLTM-BEFAXECRSA-N 2 0 366.506 0.286 20 0 FCADRP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001275877952 1211303644 /nfs/dbraw/zinc/30/36/44/1211303644.db2.gz IKCHZMOVZPIKTH-HZMVEIRTSA-N 2 0 367.490 0.582 20 0 FCADRP COC(CN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2)OC ZINC001275878155 1211303737 /nfs/dbraw/zinc/30/37/37/1211303737.db2.gz ICFZQHRYRCWMHI-QFBILLFUSA-N 2 0 369.506 0.498 20 0 FCADRP COC(=O)[C@H]1CC[C@H](C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001275879968 1211304744 /nfs/dbraw/zinc/30/47/44/1211304744.db2.gz JMIIGCAHHKHSEW-WKILWMFISA-N 2 0 367.490 0.441 20 0 FCADRP COCCOCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275878823 1211306093 /nfs/dbraw/zinc/30/60/93/1211306093.db2.gz LYGKWEMZNWUHJF-MJGOQNOKSA-N 2 0 369.506 0.500 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001095419055 1211331611 /nfs/dbraw/zinc/33/16/11/1211331611.db2.gz MOCPZYKGGJKALS-OWSLCNJRSA-N 2 0 360.502 0.672 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc4cccnc4[nH]3)C2)OCC1=O ZINC001276258377 1211395620 /nfs/dbraw/zinc/39/56/20/1211395620.db2.gz AAOFDUMDGYOTPH-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCCc2nccn21 ZINC001095531867 1211398065 /nfs/dbraw/zinc/39/80/65/1211398065.db2.gz WENCLNCFZRMDLS-UGUYLWEFSA-N 2 0 355.446 0.774 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)O1 ZINC001095611651 1211426551 /nfs/dbraw/zinc/42/65/51/1211426551.db2.gz VNVZABUIURQTEV-FWEDZOCSSA-N 2 0 361.490 0.403 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000547277400 1211452086 /nfs/dbraw/zinc/45/20/86/1211452086.db2.gz HUVDHEGLMHZCQN-IBGZPJMESA-N 2 0 361.490 0.935 20 0 FCADRP COc1ccc([C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)[NH+](C)C)cc1OC ZINC000924438417 1211469094 /nfs/dbraw/zinc/46/90/94/1211469094.db2.gz ZCSUSYMNTMWIJY-UONOGXRCSA-N 2 0 364.446 0.789 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCN3C(=O)N[C@@H](C[NH+](C)C)C3=O)CC2)c1 ZINC000924478144 1211471029 /nfs/dbraw/zinc/47/10/29/1211471029.db2.gz JYVBAJCWNJCKFJ-SFHVURJKSA-N 2 0 373.501 0.989 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000924473116 1211471288 /nfs/dbraw/zinc/47/12/88/1211471288.db2.gz KXWWAQUVZKVRCC-KRWDZBQOSA-N 2 0 359.474 0.681 20 0 FCADRP C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000924478042 1211471306 /nfs/dbraw/zinc/47/13/06/1211471306.db2.gz JNXUNHCSDLWGFJ-RDJZCZTQSA-N 2 0 359.474 0.679 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000924479130 1211471652 /nfs/dbraw/zinc/47/16/52/1211471652.db2.gz MQNDHHJEZCHCMO-SFHVURJKSA-N 2 0 373.501 0.676 20 0 FCADRP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000924670735 1211476898 /nfs/dbraw/zinc/47/68/98/1211476898.db2.gz HZCJWGBFGMXBMM-WBVHZDCISA-N 2 0 364.490 0.894 20 0 FCADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693444 1211477274 /nfs/dbraw/zinc/47/72/74/1211477274.db2.gz ZPZJEUGSGGYCKP-DOTOQJQBSA-N 2 0 359.474 0.679 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926299054 1211528285 /nfs/dbraw/zinc/52/82/85/1211528285.db2.gz PAKBTZDMGYINPB-KBAYOESNSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926349327 1211537579 /nfs/dbraw/zinc/53/75/79/1211537579.db2.gz VSHHDDHHAICEAR-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000927296838 1211569127 /nfs/dbraw/zinc/56/91/27/1211569127.db2.gz KJKFYHUCTPNWKG-UHFFFAOYSA-N 2 0 365.522 0.809 20 0 FCADRP CN(C)C(=O)c1ccc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001221393399 1225306570 /nfs/dbraw/zinc/30/65/70/1225306570.db2.gz XSUNFNMMBUXTHQ-KRWDZBQOSA-N 2 0 358.486 0.921 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3Cc4cc(O)ccc4C[NH2+]3)CC2)[NH2+]C1 ZINC001221391865 1225304922 /nfs/dbraw/zinc/30/49/22/1225304922.db2.gz PJXRFVWSQJMCSS-IBGZPJMESA-N 2 0 354.454 0.975 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])c1 ZINC001221402893 1225306350 /nfs/dbraw/zinc/30/63/50/1225306350.db2.gz DSTIKNNYDXNWAL-GLQYFDAESA-N 2 0 364.446 0.122 20 0 FCADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001221408574 1225307445 /nfs/dbraw/zinc/30/74/45/1225307445.db2.gz ACUVECWFHUTZDT-IRXDYDNUSA-N 2 0 370.457 0.508 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931485337 1211757536 /nfs/dbraw/zinc/75/75/36/1211757536.db2.gz FAQLDZLMUHIVHU-OAHLLOKOSA-N 2 0 370.494 0.064 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000931606928 1211762738 /nfs/dbraw/zinc/76/27/38/1211762738.db2.gz CNPHQOBTEYTYPW-KRWDZBQOSA-N 2 0 359.474 0.851 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1ccccn1)C1CC1 ZINC000931919932 1211783351 /nfs/dbraw/zinc/78/33/51/1211783351.db2.gz NECXMHARMNNQEK-QGZVFWFLSA-N 2 0 361.490 0.601 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001111169484 1211909633 /nfs/dbraw/zinc/90/96/33/1211909633.db2.gz VXPWSEWXSKQBQZ-VQHPVUNQSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000947968823 1212105749 /nfs/dbraw/zinc/10/57/49/1212105749.db2.gz PHOSOEYJWRCBJJ-FRFSOERESA-N 2 0 359.474 0.819 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111279690 1212225015 /nfs/dbraw/zinc/22/50/15/1212225015.db2.gz HDRIXHGVTBXPGX-HZMVEIRTSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950241349 1212538341 /nfs/dbraw/zinc/53/83/41/1212538341.db2.gz CYLISZVGZFBMQU-HLLBOEOZSA-N 2 0 366.506 0.155 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007851843 1212592283 /nfs/dbraw/zinc/59/22/83/1212592283.db2.gz LLJQHDRVVQJXJB-FTRWYGJKSA-N 2 0 360.502 0.674 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307796 1212956407 /nfs/dbraw/zinc/95/64/07/1212956407.db2.gz LXAAXDXQCDMDEN-MJGOQNOKSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001111409399 1212994193 /nfs/dbraw/zinc/99/41/93/1212994193.db2.gz TWBZUYLSFRFNHZ-TVFCKZIOSA-N 2 0 361.490 0.573 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954508895 1213080822 /nfs/dbraw/zinc/08/08/22/1213080822.db2.gz DISSDWAMLWLYRL-SOLBZPMBSA-N 2 0 364.534 0.974 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641792631 1213216038 /nfs/dbraw/zinc/21/60/38/1213216038.db2.gz VTAWMPBJYBUHOP-SFHVURJKSA-N 2 0 369.554 0.814 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001221771788 1225475795 /nfs/dbraw/zinc/47/57/95/1225475795.db2.gz HBUILHYCCLYTJG-BRWVUGGUSA-N 2 0 361.490 0.119 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827968 1213849607 /nfs/dbraw/zinc/84/96/07/1213849607.db2.gz CPCOYPPEQAZORA-PXNSSMCTSA-N 2 0 358.486 0.630 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000418936007 1213927080 /nfs/dbraw/zinc/92/70/80/1213927080.db2.gz BCYPJUGHVODLGB-OXJNMPFZSA-N 2 0 358.486 0.978 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N2CCC2)CC3)CC[N@@H+]1C ZINC001016630449 1214024719 /nfs/dbraw/zinc/02/47/19/1214024719.db2.gz FVCBMPYCXQMZGN-BBWFWOEESA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CCCC2)C3)CC[N@@H+]1C ZINC001019072451 1214191571 /nfs/dbraw/zinc/19/15/71/1214191571.db2.gz JJELIALZAXLDQE-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001039865037 1214450359 /nfs/dbraw/zinc/45/03/59/1214450359.db2.gz KIDZPRKAWIVLLD-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001040103668 1214467939 /nfs/dbraw/zinc/46/79/39/1214467939.db2.gz BYFICUGKAJGQEA-FRQCXROJSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040720026 1214573327 /nfs/dbraw/zinc/57/33/27/1214573327.db2.gz ZWGXHPROZMSCIV-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[C@H](C)NC(=O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946884 1225546277 /nfs/dbraw/zinc/54/62/77/1225546277.db2.gz HHZOXNAOCQLUFP-GVDBMIGSSA-N 2 0 368.522 0.258 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001221950294 1225549012 /nfs/dbraw/zinc/54/90/12/1225549012.db2.gz AGKILXPOVKZUFL-KZNAEPCWSA-N 2 0 369.506 0.293 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCCN(C)C2=O)C3)CC[N@@H+]1C ZINC000963829622 1214859892 /nfs/dbraw/zinc/85/98/92/1214859892.db2.gz AXPDISDPCWIQGS-SNCNAIARSA-N 2 0 362.518 0.964 20 0 FCADRP CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000963829712 1214859953 /nfs/dbraw/zinc/85/99/53/1214859953.db2.gz CYHIICGKXZTFER-SNCNAIARSA-N 2 0 362.518 0.964 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC000965211971 1215034558 /nfs/dbraw/zinc/03/45/58/1215034558.db2.gz QPGNJARTSUWIJQ-LOQRQRIXSA-N 2 0 370.497 0.834 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045942 1225588287 /nfs/dbraw/zinc/58/82/87/1225588287.db2.gz YDYDHWBGZVHLPT-ZHALLVOQSA-N 2 0 361.486 0.902 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049728 1225590232 /nfs/dbraw/zinc/59/02/32/1225590232.db2.gz JESOSILFMYLBDG-RBSFLKMASA-N 2 0 367.494 0.094 20 0 FCADRP COCCCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222051421 1225591000 /nfs/dbraw/zinc/59/10/00/1225591000.db2.gz WXPQDIRNYBSPCY-GVDBMIGSSA-N 2 0 368.522 0.401 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC001222186348 1225610308 /nfs/dbraw/zinc/61/03/08/1225610308.db2.gz FEYTYXRWPWSHSC-HXUWFJFHSA-N 2 0 360.502 0.283 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055647715 1215897890 /nfs/dbraw/zinc/89/78/90/1215897890.db2.gz XSDUYOUTDMLDHY-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)cn1 ZINC001098013469 1215924342 /nfs/dbraw/zinc/92/43/42/1215924342.db2.gz ONVXBMUOQDWQNW-KURKYZTESA-N 2 0 371.489 0.677 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055966867 1215929440 /nfs/dbraw/zinc/92/94/40/1215929440.db2.gz LBZJRFQKWTVMMC-GPMSIDNRSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001055968185 1215930044 /nfs/dbraw/zinc/93/00/44/1215930044.db2.gz VLFZMXLXKXOCLN-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC001000351048 1216041004 /nfs/dbraw/zinc/04/10/04/1216041004.db2.gz BXSVUYXKSXVSST-UHOSZYNNSA-N 2 0 370.497 0.611 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CC[NH+](CCCO)CC2)CC1 ZINC001001409070 1216192438 /nfs/dbraw/zinc/19/24/38/1216192438.db2.gz RORKUTDYSHTAKH-MOPGFXCFSA-N 2 0 367.534 0.944 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841924 1225656533 /nfs/dbraw/zinc/65/65/33/1225656533.db2.gz GLUXUSYRGNHLQO-KSSFIOAISA-N 2 0 361.446 0.632 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000827321541 1216587111 /nfs/dbraw/zinc/58/71/11/1216587111.db2.gz QEQKIBYBJLMFEN-RDJZCZTQSA-N 2 0 366.506 0.347 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068420226 1216735865 /nfs/dbraw/zinc/73/58/65/1216735865.db2.gz IUWCUHAZOCIWKC-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068884222 1216764509 /nfs/dbraw/zinc/76/45/09/1216764509.db2.gz BRAOEFGBUFTWPD-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885197 1216765376 /nfs/dbraw/zinc/76/53/76/1216765376.db2.gz PRROJAIDMKYFTG-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001223248323 1225694314 /nfs/dbraw/zinc/69/43/14/1225694314.db2.gz IRYOHEVJWPRYJN-VHDGCEQUSA-N 2 0 367.494 0.128 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944967 1216857979 /nfs/dbraw/zinc/85/79/79/1216857979.db2.gz BVUKBPPPOWTTPF-BBWFWOEESA-N 2 0 364.494 0.265 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)NC(C)C)[C@H]2C1)[NH+](C)C ZINC001223512424 1225712085 /nfs/dbraw/zinc/71/20/85/1225712085.db2.gz HTCDIBKZBUAJCG-IKGGRYGDSA-N 2 0 367.538 0.957 20 0 FCADRP CCCC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223569933 1225716606 /nfs/dbraw/zinc/71/66/06/1225716606.db2.gz GNGSPKVTMJZQQJ-DJIMGWMZSA-N 2 0 368.522 0.578 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223726509 1225730240 /nfs/dbraw/zinc/73/02/40/1225730240.db2.gz HSDBWWVJEBVZEL-KURKYZTESA-N 2 0 371.522 0.275 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223722756 1225730498 /nfs/dbraw/zinc/73/04/98/1225730498.db2.gz VEKUULIRPGYIHK-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)CC1 ZINC001223763627 1225734028 /nfs/dbraw/zinc/73/40/28/1225734028.db2.gz DUFFQOILGDHWII-AEFFLSMTSA-N 2 0 369.506 0.029 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223846760 1225739914 /nfs/dbraw/zinc/73/99/14/1225739914.db2.gz SECGCPYJYULMSW-SJORKVTESA-N 2 0 367.538 0.959 20 0 FCADRP O=C(NCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)C1CC1 ZINC001223911936 1225744784 /nfs/dbraw/zinc/74/47/84/1225744784.db2.gz KQELLHBTEKMWCR-WBVHZDCISA-N 2 0 360.502 0.531 20 0 FCADRP Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)cn1 ZINC001223916738 1225746724 /nfs/dbraw/zinc/74/67/24/1225746724.db2.gz NXPRPWIUCCPTPD-MSOLQXFVSA-N 2 0 363.506 0.464 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961148 1225771039 /nfs/dbraw/zinc/77/10/39/1225771039.db2.gz ZJZFRSLROQJCEQ-UYAOXDASSA-N 2 0 366.550 0.709 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001044251611 1217825811 /nfs/dbraw/zinc/82/58/11/1217825811.db2.gz NVYKOTRPTHRIML-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000900398405 1217985710 /nfs/dbraw/zinc/98/57/10/1217985710.db2.gz LAKSNGRMMHQMMT-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000900512996 1218000631 /nfs/dbraw/zinc/00/06/31/1218000631.db2.gz QXLZMMGIUAVIBT-KRWDZBQOSA-N 2 0 367.538 0.106 20 0 FCADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900804847 1218038626 /nfs/dbraw/zinc/03/86/26/1218038626.db2.gz NRFRMPXJXLYPJJ-ICSRJNTNSA-N 2 0 373.545 0.949 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000900867281 1218047363 /nfs/dbraw/zinc/04/73/63/1218047363.db2.gz SCYZOJALQZOIKB-DLBZAZTESA-N 2 0 367.490 0.585 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cnn4ccccc34)C2)OCC1=O ZINC001277028268 1225805630 /nfs/dbraw/zinc/80/56/30/1225805630.db2.gz JXACILCINHRMBP-IBGZPJMESA-N 2 0 357.458 0.699 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001096355747 1218262423 /nfs/dbraw/zinc/26/24/23/1218262423.db2.gz BWRNZYANKVGHBR-YVSFHVDLSA-N 2 0 360.502 0.720 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4c3CCO4)C2)OCC1=O ZINC001277050855 1225814271 /nfs/dbraw/zinc/81/42/71/1225814271.db2.gz ZTWFYBVLQMZLKH-FQEVSTJZSA-N 2 0 359.470 0.986 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757139 1218516985 /nfs/dbraw/zinc/51/69/85/1218516985.db2.gz YIZCXVRKFSQMJG-RVKKMQEKSA-N 2 0 357.462 0.403 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769868 1218521174 /nfs/dbraw/zinc/52/11/74/1218521174.db2.gz QJNKAXXCCFGWFD-HLIPFELVSA-N 3 0 374.533 0.767 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@@H]21 ZINC000903779056 1218523172 /nfs/dbraw/zinc/52/31/72/1218523172.db2.gz UWAWKQNSPYCGJL-BHYGNILZSA-N 2 0 371.485 0.752 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001097430367 1218808323 /nfs/dbraw/zinc/80/83/23/1218808323.db2.gz KTABDWUEEXUSMD-TVFCKZIOSA-N 2 0 373.501 0.594 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC001277146612 1225852185 /nfs/dbraw/zinc/85/21/85/1225852185.db2.gz JJFYCVJVBYWIIU-UHFFFAOYSA-N 2 0 363.462 0.654 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226790855 1225854639 /nfs/dbraw/zinc/85/46/39/1225854639.db2.gz GKZIZDZGVZBEQV-BRWVUGGUSA-N 2 0 371.522 0.512 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1)C1CC1 ZINC001226801131 1225854767 /nfs/dbraw/zinc/85/47/67/1225854767.db2.gz SUKSLHRQEDVRMU-CKEIUWERSA-N 2 0 363.462 0.970 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065543 1225863036 /nfs/dbraw/zinc/86/30/36/1225863036.db2.gz GOWODCSDRRCZHT-HZPDHXFCSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)/C=C/C3CC3)CC2)CC[N@@H+]1C ZINC001055551416 1219077097 /nfs/dbraw/zinc/07/70/97/1219077097.db2.gz RYTUPSCCFSJYTB-CDZANEANSA-N 2 0 362.518 0.990 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227083270 1225863170 /nfs/dbraw/zinc/86/31/70/1225863170.db2.gz QQBLGJQHEJMZHB-KZNAEPCWSA-N 2 0 368.522 0.640 20 0 FCADRP CC(C)[C@@H](O)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055570727 1219082708 /nfs/dbraw/zinc/08/27/08/1219082708.db2.gz OIDDVGXQNAGGFY-DJIMGWMZSA-N 2 0 368.522 0.040 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055577848 1219085173 /nfs/dbraw/zinc/08/51/73/1219085173.db2.gz CPBYBKPVGCYDDV-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@H](C(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001055587122 1219090349 /nfs/dbraw/zinc/09/03/49/1219090349.db2.gz RKHSBBNBUIETRT-GMBSWORKSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804059677 1219112962 /nfs/dbraw/zinc/11/29/62/1219112962.db2.gz JRSASMHRRDQKBL-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804058338 1219113892 /nfs/dbraw/zinc/11/38/92/1219113892.db2.gz ZVLLLJZMCCYPEQ-ZACQAIPSSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061174 1219117906 /nfs/dbraw/zinc/11/79/06/1219117906.db2.gz RURNQRWAGRSWHE-PVAVHDDUSA-N 2 0 366.506 0.155 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227302344 1225870096 /nfs/dbraw/zinc/87/00/96/1225870096.db2.gz KOFKTSPQBQECRW-ZIAGYGMSSA-N 2 0 358.402 0.160 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3cn(-c4cc[nH+]cc4)cn3)[C@@H]2C1 ZINC001277200447 1225871061 /nfs/dbraw/zinc/87/10/61/1225871061.db2.gz FAULNHFJVWEJSK-MAUKXSAKSA-N 2 0 354.458 0.975 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070194640 1219286511 /nfs/dbraw/zinc/28/65/11/1219286511.db2.gz GLAPEPFMAONDGT-KSZLIROESA-N 2 0 358.490 0.762 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1n1ccnn1 ZINC001070196070 1219286890 /nfs/dbraw/zinc/28/68/90/1219286890.db2.gz JAMAYUGNLSXKIR-CVEARBPZSA-N 2 0 360.466 0.100 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001070292307 1219353276 /nfs/dbraw/zinc/35/32/76/1219353276.db2.gz LOXSAEVRGNULMS-CVEARBPZSA-N 2 0 360.466 0.100 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070327736 1219378156 /nfs/dbraw/zinc/37/81/56/1219378156.db2.gz FANKKDNKPNTTHU-SJORKVTESA-N 2 0 362.478 0.142 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070328359 1219379046 /nfs/dbraw/zinc/37/90/46/1219379046.db2.gz YTLRMWPKVGWTAW-MSOLQXFVSA-N 2 0 369.473 0.619 20 0 FCADRP CCN1CCO[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC)CC2)C1 ZINC001070383809 1219407642 /nfs/dbraw/zinc/40/76/42/1219407642.db2.gz NLFLPOUBENTVIQ-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC3CC3)CC2)C1 ZINC001070382929 1219407849 /nfs/dbraw/zinc/40/78/49/1219407849.db2.gz ZPDSOORISBJRIZ-SCTDSRPQSA-N 2 0 362.518 0.824 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070475525 1219426191 /nfs/dbraw/zinc/42/61/91/1219426191.db2.gz SITRSOSJUBQJQK-QXAKKESOSA-N 2 0 368.485 0.994 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cn(C)cn1 ZINC001070510386 1219446789 /nfs/dbraw/zinc/44/67/89/1219446789.db2.gz WWWKJQMIGPUSCM-QANKJYHBSA-N 2 0 368.441 0.646 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070543311 1219461205 /nfs/dbraw/zinc/46/12/05/1219461205.db2.gz UVLSDIGTEVCAPN-QILLFSRXSA-N 2 0 363.506 0.417 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070563388 1219470957 /nfs/dbraw/zinc/47/09/57/1219470957.db2.gz AVDWAJYOYYLNGZ-SOLBZPMBSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070563988 1219471678 /nfs/dbraw/zinc/47/16/78/1219471678.db2.gz OZIGPJWHIGYZJN-QILLFSRXSA-N 2 0 371.489 0.190 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070629225 1219494712 /nfs/dbraw/zinc/49/47/12/1219494712.db2.gz FQVXRFFVZWSVEK-ZACQAIPSSA-N 2 0 371.489 0.332 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001070664305 1219514808 /nfs/dbraw/zinc/51/48/08/1219514808.db2.gz IYAPBNXZPLSXAO-ARFHVFGLSA-N 2 0 361.490 0.313 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cncn1C ZINC001070664449 1219515451 /nfs/dbraw/zinc/51/54/51/1219515451.db2.gz RXDHHFFALVKQLM-KBRIMQKVSA-N 2 0 368.441 0.646 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277276522 1225898541 /nfs/dbraw/zinc/89/85/41/1225898541.db2.gz CNTDZQPBSYJHIV-LJQANCHMSA-N 2 0 360.458 0.854 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC001071062373 1219598131 /nfs/dbraw/zinc/59/81/31/1219598131.db2.gz ZGZNXAXXVQQEMT-XCRHUMRWSA-N 2 0 366.506 0.330 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC001072755001 1219621524 /nfs/dbraw/zinc/62/15/24/1219621524.db2.gz ONYPFHHDXMBJFX-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCCCC2)C3)CC[N@@H+]1C ZINC001072751737 1219622230 /nfs/dbraw/zinc/62/22/30/1219622230.db2.gz BDZUPCYDENDHHR-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001228239312 1225904125 /nfs/dbraw/zinc/90/41/25/1225904125.db2.gz OWVMNRLBOGQBOT-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC001228265826 1225905709 /nfs/dbraw/zinc/90/57/09/1225905709.db2.gz ZKEKCBODABZJMB-IXDOHACOSA-N 2 0 368.522 0.584 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@@H+]1C ZINC001073613773 1219674035 /nfs/dbraw/zinc/67/40/35/1219674035.db2.gz MIKPGIDQEJOINU-IXDOHACOSA-N 2 0 364.494 0.216 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098214656 1219742153 /nfs/dbraw/zinc/74/21/53/1219742153.db2.gz RINAOYZOCLXLRJ-DDBAPUKQSA-N 2 0 358.486 0.949 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001098224778 1219744108 /nfs/dbraw/zinc/74/41/08/1219744108.db2.gz FHOSZNZVXPRACX-FPCVCCKLSA-N 2 0 356.474 0.583 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001228377429 1225915238 /nfs/dbraw/zinc/91/52/38/1225915238.db2.gz QXOKQCDORLQFDH-HUUCEWRRSA-N 2 0 365.526 0.939 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+]([C@@H]2CCCNC2=O)C3)C1 ZINC001099031527 1219893152 /nfs/dbraw/zinc/89/31/52/1219893152.db2.gz XQLADQPNIVTNMF-YRNRMSPPSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCCNC2=O)C3)CC1 ZINC001099062755 1219898627 /nfs/dbraw/zinc/89/86/27/1219898627.db2.gz DFSWXBXDGULQDX-ZWOKBUDYSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CC2)C3)CC1 ZINC001099062801 1219898697 /nfs/dbraw/zinc/89/86/97/1219898697.db2.gz GOPWWGVQXIDBJK-JXFKEZNVSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001099119169 1219919662 /nfs/dbraw/zinc/91/96/62/1219919662.db2.gz JGEOSPFIVGFDOT-GUXCAODWSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC001099122984 1219921467 /nfs/dbraw/zinc/92/14/67/1219921467.db2.gz NWEALKUKAPRUHP-JXFKEZNVSA-N 2 0 360.502 0.675 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122910 1219921490 /nfs/dbraw/zinc/92/14/90/1219921490.db2.gz KQSQOABGQCGIDX-AVYPCKFXSA-N 2 0 360.502 0.720 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099496086 1220014131 /nfs/dbraw/zinc/01/41/31/1220014131.db2.gz ADDHHBJJYGQJED-MPGHIAIKSA-N 2 0 361.494 0.413 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001099539804 1220027132 /nfs/dbraw/zinc/02/71/32/1220027132.db2.gz CFQUYKVGYINQBL-QKLQHJQFSA-N 2 0 362.518 0.969 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)Cc4ccnc(N)c4)(C2)C3)CC1 ZINC001277331386 1225952752 /nfs/dbraw/zinc/95/27/52/1225952752.db2.gz HTNLASOXNCYHDD-UHFFFAOYSA-N 2 0 357.458 0.456 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268836 1220257899 /nfs/dbraw/zinc/25/78/99/1220257899.db2.gz ZAGJXSNSUPNDNQ-UZLBHIALSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101443511 1220347377 /nfs/dbraw/zinc/34/73/77/1220347377.db2.gz INMHZHPRSONIPM-MJGOQNOKSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047757 1220476802 /nfs/dbraw/zinc/47/68/02/1220476802.db2.gz RXRBJOUGIDWCBT-BJZITVGISA-N 2 0 364.534 0.927 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085783 1220491396 /nfs/dbraw/zinc/49/13/96/1220491396.db2.gz AUUCXHAKJVQRQT-OAGGEKHMSA-N 2 0 368.522 0.293 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102101297 1220496558 /nfs/dbraw/zinc/49/65/58/1220496558.db2.gz WSQZJKKELYBSCD-BRWVUGGUSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108325 1220499496 /nfs/dbraw/zinc/49/94/96/1220499496.db2.gz HGQNFXKPMMNRGU-IAGOWNOFSA-N 2 0 371.489 0.884 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171334 1220533091 /nfs/dbraw/zinc/53/30/91/1220533091.db2.gz RXZOPPUYYTZQSN-QUJXQBBWSA-N 2 0 365.518 0.959 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229047183 1225975067 /nfs/dbraw/zinc/97/50/67/1225975067.db2.gz YGBVZAPRZVJMBP-FVQBIDKESA-N 2 0 364.494 0.210 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001102276803 1220568721 /nfs/dbraw/zinc/56/87/21/1220568721.db2.gz WSJIWBJYGAQVCH-MXSMSXNCSA-N 2 0 364.534 0.927 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287320 1220576006 /nfs/dbraw/zinc/57/60/06/1220576006.db2.gz YSVIVXXMFURIAR-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320613 1220583129 /nfs/dbraw/zinc/58/31/29/1220583129.db2.gz LMGWLIDFFGIXBC-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102330122 1220585276 /nfs/dbraw/zinc/58/52/76/1220585276.db2.gz CTQOTDCQEMPIAI-IIDMSEBBSA-N 2 0 366.506 0.406 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001102357612 1220591229 /nfs/dbraw/zinc/59/12/29/1220591229.db2.gz CACXOCROAAWKRI-BRWVUGGUSA-N 2 0 367.538 0.816 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001102472013 1220642004 /nfs/dbraw/zinc/64/20/04/1220642004.db2.gz CSYSNZQSMXBTAZ-IIAWOOMASA-N 2 0 369.510 0.232 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102473645 1220643687 /nfs/dbraw/zinc/64/36/87/1220643687.db2.gz JPCSYOIXBRZXNS-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102475296 1220645013 /nfs/dbraw/zinc/64/50/13/1220645013.db2.gz HTNSEFHOKVPAKW-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513424 1220672168 /nfs/dbraw/zinc/67/21/68/1220672168.db2.gz KFBJLILOMOBBPA-BHIYHBOVSA-N 2 0 363.502 0.982 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514776 1220673533 /nfs/dbraw/zinc/67/35/33/1220673533.db2.gz NBDUCIGJWUORNG-BZUAXINKSA-N 2 0 364.490 0.161 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515453 1220675148 /nfs/dbraw/zinc/67/51/48/1220675148.db2.gz UQMQXQKZNULSOE-IXDOHACOSA-N 2 0 364.534 0.927 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521172 1220678301 /nfs/dbraw/zinc/67/83/01/1220678301.db2.gz VFNGHXYXMXVNFS-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102525373 1220681600 /nfs/dbraw/zinc/68/16/00/1220681600.db2.gz ZBUMGLHCZNXGTN-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525825 1220681817 /nfs/dbraw/zinc/68/18/17/1220681817.db2.gz WZGSOHMBIUBBLS-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229180886 1225986399 /nfs/dbraw/zinc/98/63/99/1225986399.db2.gz NFWRLHFLCROSMF-HUUCEWRRSA-N 2 0 369.510 0.710 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599021 1220720892 /nfs/dbraw/zinc/72/08/92/1220720892.db2.gz LIDODMSGRNEMPO-BZUAXINKSA-N 2 0 364.490 0.352 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102601837 1220722451 /nfs/dbraw/zinc/72/24/51/1220722451.db2.gz RTOWFFJZTINHGY-ZACQAIPSSA-N 2 0 368.522 0.306 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229230428 1225991265 /nfs/dbraw/zinc/99/12/65/1225991265.db2.gz HFTLWNDHAUCMQS-HUUCEWRRSA-N 2 0 369.510 0.581 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782289 1220782658 /nfs/dbraw/zinc/78/26/58/1220782658.db2.gz KHJDFQZWSASICH-ZACQAIPSSA-N 2 0 367.538 0.862 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103138439 1220839174 /nfs/dbraw/zinc/83/91/74/1220839174.db2.gz LGAZUYICFOVOBY-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001103140343 1220840104 /nfs/dbraw/zinc/84/01/04/1220840104.db2.gz ZOXBXHXFWPZUDJ-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001229286371 1225997408 /nfs/dbraw/zinc/99/74/08/1225997408.db2.gz AGTKUJPANYNBAO-RRFJBIMHSA-N 2 0 367.494 0.319 20 0 FCADRP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396654 1220876971 /nfs/dbraw/zinc/87/69/71/1220876971.db2.gz CFXBLEJKYBDKPE-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396874 1220877097 /nfs/dbraw/zinc/87/70/97/1220877097.db2.gz NNMUXNYOJYWPPS-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103434009 1220882263 /nfs/dbraw/zinc/88/22/63/1220882263.db2.gz QWPXLIMMYCHSES-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001103444761 1220884908 /nfs/dbraw/zinc/88/49/08/1220884908.db2.gz IMKWBKWOJGWNHZ-NXHRZFHOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643930 1220926294 /nfs/dbraw/zinc/92/62/94/1220926294.db2.gz XKZPHKSZOUMTIK-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647104 1220927802 /nfs/dbraw/zinc/92/78/02/1220927802.db2.gz URJHVMPZRCKECS-NVXWUHKLSA-N 2 0 362.518 0.683 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001103663450 1220933013 /nfs/dbraw/zinc/93/30/13/1220933013.db2.gz BWCXXHMIDUYLMJ-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723278 1220952021 /nfs/dbraw/zinc/95/20/21/1220952021.db2.gz BPWVOQJUAYGYNQ-KZNAEPCWSA-N 2 0 363.506 0.414 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104202866 1221020890 /nfs/dbraw/zinc/02/08/90/1221020890.db2.gz SPZDRJJQAVWEFT-QGPMSJSTSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104202864 1221021005 /nfs/dbraw/zinc/02/10/05/1221021005.db2.gz SPSUSKJAACWMOX-OIISXLGYSA-N 2 0 360.506 0.731 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001229523107 1226015620 /nfs/dbraw/zinc/01/56/20/1226015620.db2.gz BALQEBCCGOMCSX-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C2 ZINC001111925609 1221171788 /nfs/dbraw/zinc/17/17/88/1221171788.db2.gz BAHMGSHQLKTYJI-GLJUWKHASA-N 2 0 367.494 0.143 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000782588196 1221173090 /nfs/dbraw/zinc/17/30/90/1221173090.db2.gz VVZJSSRNCCPBFW-IAGOWNOFSA-N 2 0 374.485 0.709 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111951139 1221182114 /nfs/dbraw/zinc/18/21/14/1221182114.db2.gz UXPIEPVKPBAZEK-DOXZYTNZSA-N 2 0 364.490 0.494 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001112359911 1221245578 /nfs/dbraw/zinc/24/55/78/1221245578.db2.gz SDABWVOVIWAJEV-YZLZLFLDSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001229708985 1226029918 /nfs/dbraw/zinc/02/99/18/1226029918.db2.gz AILSCJFEBZNEGH-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229716890 1226030379 /nfs/dbraw/zinc/03/03/79/1226030379.db2.gz MBODWCGMWGRFEN-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001116627311 1221375017 /nfs/dbraw/zinc/37/50/17/1221375017.db2.gz MQTYGVVSFVIUCP-OAHLLOKOSA-N 2 0 364.490 0.675 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229837838 1226037055 /nfs/dbraw/zinc/03/70/55/1226037055.db2.gz XCEVRGSJZMKZSQ-KZNAEPCWSA-N 2 0 365.522 0.993 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001230147880 1226057892 /nfs/dbraw/zinc/05/78/92/1226057892.db2.gz VEYTXCDKHWUXAE-HUUCEWRRSA-N 2 0 365.478 0.041 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001117979941 1221675282 /nfs/dbraw/zinc/67/52/82/1221675282.db2.gz BWANZLAJRMSWJV-INIZCTEOSA-N 2 0 361.490 0.154 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC001117992724 1221680345 /nfs/dbraw/zinc/68/03/45/1221680345.db2.gz AVRKYZODHXLUNY-UHFFFAOYSA-N 2 0 364.494 0.664 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC001118017996 1221687821 /nfs/dbraw/zinc/68/78/21/1221687821.db2.gz UQEVQTSLDZBCSN-YOEHRIQHSA-N 2 0 360.458 0.796 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC001118017993 1221688462 /nfs/dbraw/zinc/68/84/62/1221688462.db2.gz UQEVQTSLDZBCSN-PBHICJAKSA-N 2 0 360.458 0.796 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1F ZINC001118057119 1221701795 /nfs/dbraw/zinc/70/17/95/1221701795.db2.gz AKBQCIZCYOCLEW-UWWQBHOKSA-N 2 0 374.460 0.776 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)CC[NH2+]CC2 ZINC001118086388 1221707257 /nfs/dbraw/zinc/70/72/57/1221707257.db2.gz SJWBXJUGJKLKGQ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230279868 1226071035 /nfs/dbraw/zinc/07/10/35/1226071035.db2.gz ISXBLAHURGOWPI-RBSFLKMASA-N 2 0 369.510 0.578 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NCC3([NH+](C)C)CCOCC3)CC2)CC1 ZINC001119035429 1221859115 /nfs/dbraw/zinc/85/91/15/1221859115.db2.gz PYOSPZLSWNSLKH-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119065743 1221861993 /nfs/dbraw/zinc/86/19/93/1221861993.db2.gz AXQALQQCQAXKGD-JXFKEZNVSA-N 2 0 370.453 0.552 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001119343649 1221902321 /nfs/dbraw/zinc/90/23/21/1221902321.db2.gz KTRXMIRCWWFUFG-INIZCTEOSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119348365 1221902538 /nfs/dbraw/zinc/90/25/38/1221902538.db2.gz UYMNCEXSYLXYQE-BZSNNMDCSA-N 2 0 356.470 0.588 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119348366 1221902798 /nfs/dbraw/zinc/90/27/98/1221902798.db2.gz UYMNCEXSYLXYQE-SQNIBIBYSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356450 1221905095 /nfs/dbraw/zinc/90/50/95/1221905095.db2.gz HBCZECOCUNXMNE-DZJNRPSUSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC001119402101 1221911957 /nfs/dbraw/zinc/91/19/57/1221911957.db2.gz MWRRZZSSJJUONF-QAPCUYQASA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC001120557699 1222103728 /nfs/dbraw/zinc/10/37/28/1222103728.db2.gz MJSZPDVKODEYMB-CRAIPNDOSA-N 2 0 361.490 0.349 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001120574889 1222105738 /nfs/dbraw/zinc/10/57/38/1222105738.db2.gz RXQCZJOGZSVSLE-DOTOQJQBSA-N 2 0 365.474 0.438 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC001121025082 1222140294 /nfs/dbraw/zinc/14/02/94/1222140294.db2.gz RNJDGFMPLHAPFX-MRXNPFEDSA-N 2 0 359.474 0.587 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC001121898171 1222220622 /nfs/dbraw/zinc/22/06/22/1222220622.db2.gz YDBDJFXSWQGASM-AEFFLSMTSA-N 2 0 364.490 0.904 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC001121917538 1222223186 /nfs/dbraw/zinc/22/31/86/1222223186.db2.gz VPSITGGGZFGSQT-GOSISDBHSA-N 2 0 362.474 0.526 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001121923325 1222224393 /nfs/dbraw/zinc/22/43/93/1222224393.db2.gz XPFCBXYTYBFGDI-RDJZCZTQSA-N 2 0 368.522 0.626 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001121928313 1222224948 /nfs/dbraw/zinc/22/49/48/1222224948.db2.gz MPVSZAKTELRDKD-MGPUTAFESA-N 2 0 360.502 0.795 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)cc2)CC1 ZINC001121925935 1222225508 /nfs/dbraw/zinc/22/55/08/1222225508.db2.gz GRUHHJKBSMHKTE-QGZVFWFLSA-N 2 0 359.474 0.574 20 0 FCADRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC001122382117 1222270203 /nfs/dbraw/zinc/27/02/03/1222270203.db2.gz KMTHBIPFMNNCGF-UHFFFAOYSA-N 2 0 357.462 0.682 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122521717 1222279907 /nfs/dbraw/zinc/27/99/07/1222279907.db2.gz QLCRYRDLGRRASR-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C[C@@H]2C1 ZINC001161175940 1222398855 /nfs/dbraw/zinc/39/88/55/1222398855.db2.gz PXRSHMMXNTVYPY-BZSNNMDCSA-N 2 0 358.486 0.473 20 0 FCADRP O=C1N[C@H]2C[NH+](CCCC[N@@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830917430 1222486077 /nfs/dbraw/zinc/48/60/77/1222486077.db2.gz YOFDPJHUQBOSRA-SYMSYNOKSA-N 2 0 366.462 0.627 20 0 FCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207606 1222572877 /nfs/dbraw/zinc/57/28/77/1222572877.db2.gz AQCXENOJANXPEI-ROUUACIJSA-N 2 0 362.518 0.968 20 0 FCADRP COc1ccnc(CN2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001231967014 1226136451 /nfs/dbraw/zinc/13/64/51/1226136451.db2.gz NMJXMWCJQCFNMY-CRAIPNDOSA-N 2 0 362.474 0.701 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585595 1222580489 /nfs/dbraw/zinc/58/04/89/1222580489.db2.gz ICPXQZJIKBZARI-YYIAUSFCSA-N 2 0 366.506 0.297 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475736 1222681506 /nfs/dbraw/zinc/68/15/06/1222681506.db2.gz JPSASEIZWPMOIE-QZTJIDSGSA-N 2 0 368.522 0.776 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@H]21 ZINC000841071561 1222806720 /nfs/dbraw/zinc/80/67/20/1222806720.db2.gz PMGSGLWTPOWRCU-RHSMWYFYSA-N 2 0 360.458 0.905 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841159440 1222810928 /nfs/dbraw/zinc/81/09/28/1222810928.db2.gz FSMFOYFZLJBGHN-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841167559 1222811405 /nfs/dbraw/zinc/81/14/05/1222811405.db2.gz KFEYHACDOIXZPH-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000841162968 1222811500 /nfs/dbraw/zinc/81/15/00/1222811500.db2.gz AGJZQOVMWVOWMP-QGZVFWFLSA-N 2 0 373.501 0.977 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841164823 1222811505 /nfs/dbraw/zinc/81/15/05/1222811505.db2.gz XFRYPZKSRPDVHH-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000841162237 1222811639 /nfs/dbraw/zinc/81/16/39/1222811639.db2.gz RKKKWNFUQASOKT-INIZCTEOSA-N 2 0 373.501 0.963 20 0 FCADRP CCCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000841169687 1222811874 /nfs/dbraw/zinc/81/18/74/1222811874.db2.gz YCFVDILCFKQQDY-MRXNPFEDSA-N 2 0 373.501 0.977 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000841174495 1222811886 /nfs/dbraw/zinc/81/18/86/1222811886.db2.gz ZWYJVYNVKDLVQT-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000841223044 1222814549 /nfs/dbraw/zinc/81/45/49/1222814549.db2.gz PSTWUCVZTJOBPG-QGZVFWFLSA-N 2 0 373.501 0.833 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000841726270 1222828489 /nfs/dbraw/zinc/82/84/89/1222828489.db2.gz QTFSZDGBBVFKGO-IRXDYDNUSA-N 2 0 365.522 0.714 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846337 1222830035 /nfs/dbraw/zinc/83/00/35/1222830035.db2.gz HWCDJQHWGFGKOK-CVEARBPZSA-N 2 0 374.441 0.402 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164669 1222838308 /nfs/dbraw/zinc/83/83/08/1222838308.db2.gz MGYRKXULOWAKRO-ROUUACIJSA-N 2 0 374.485 0.343 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000842201034 1222840696 /nfs/dbraw/zinc/84/06/96/1222840696.db2.gz GOWQZSLUFIOYQO-FGTMMUONSA-N 2 0 356.470 0.540 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000843262738 1222867976 /nfs/dbraw/zinc/86/79/76/1222867976.db2.gz RYQYYGFJFQUIBH-UHFFFAOYSA-N 2 0 367.538 0.108 20 0 FCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843354764 1222872821 /nfs/dbraw/zinc/87/28/21/1222872821.db2.gz MRMGHCKPONYITA-AWEZNQCLSA-N 2 0 367.494 0.968 20 0 FCADRP [NH3+]C1(CNC(=O)CO[C@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000843501806 1222879056 /nfs/dbraw/zinc/87/90/56/1222879056.db2.gz QUFPMWJYRLXASW-SFHVURJKSA-N 3 0 360.502 0.865 20 0 FCADRP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](CCOCCO)CC1 ZINC001151137854 1222917266 /nfs/dbraw/zinc/91/72/66/1222917266.db2.gz LVSBCVLVPSKSME-IAGOWNOFSA-N 2 0 371.522 0.323 20 0 FCADRP c1ccc2c(c1)nc(N1CC[NH2+]CC1)n2-c1cncc(N2CC[NH2+]CC2)n1 ZINC001155585190 1223038411 /nfs/dbraw/zinc/03/84/11/1223038411.db2.gz PGVCLVUUNAGYAX-UHFFFAOYSA-N 2 0 364.457 0.635 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001157322955 1223073844 /nfs/dbraw/zinc/07/38/44/1223073844.db2.gz GDKVRJPGCHHSLA-JKSUJKDBSA-N 2 0 363.506 0.242 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157380086 1223075293 /nfs/dbraw/zinc/07/52/93/1223075293.db2.gz UUEWUJMAPSRCGI-JKSUJKDBSA-N 2 0 367.538 0.295 20 0 FCADRP NC(=[NH2+])Nc1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)cc1 ZINC001157391496 1223075708 /nfs/dbraw/zinc/07/57/08/1223075708.db2.gz DVPZRFYETIYECC-HNNXBMFYSA-N 2 0 360.462 0.842 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)COC1(C)C ZINC001157507972 1223077984 /nfs/dbraw/zinc/07/79/84/1223077984.db2.gz NAPYSCBYVDUSNW-XIRDDKMYSA-N 2 0 374.485 0.812 20 0 FCADRP O=C(c1cccnc1N(c1cnccn1)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001157541748 1223078517 /nfs/dbraw/zinc/07/85/17/1223078517.db2.gz PYUYSJHPJCQEJI-UHFFFAOYSA-N 2 0 367.457 0.807 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000246564030 1223080605 /nfs/dbraw/zinc/08/06/05/1223080605.db2.gz LXYZQKKZSWPHDM-OKZBNKHCSA-N 2 0 369.554 0.621 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001157720442 1223081306 /nfs/dbraw/zinc/08/13/06/1223081306.db2.gz JDIYWBAQLAMMMP-QGZVFWFLSA-N 2 0 357.458 0.409 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001157720441 1223081363 /nfs/dbraw/zinc/08/13/63/1223081363.db2.gz JDIYWBAQLAMMMP-KRWDZBQOSA-N 2 0 357.458 0.409 20 0 FCADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001157847134 1223083024 /nfs/dbraw/zinc/08/30/24/1223083024.db2.gz KGVITHZCNOEDPZ-GLJUWKHASA-N 2 0 371.485 0.740 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC001157968573 1223085037 /nfs/dbraw/zinc/08/50/37/1223085037.db2.gz JQYLJPYUPDCMGH-ROUUACIJSA-N 2 0 352.438 0.828 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001158092582 1223088602 /nfs/dbraw/zinc/08/86/02/1223088602.db2.gz NYMOWEGSPAFKHA-SJORKVTESA-N 2 0 354.454 0.829 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)Cc1ccc2ccccc2c1 ZINC001158093084 1223088653 /nfs/dbraw/zinc/08/86/53/1223088653.db2.gz RUDQBHVCMLZKFI-GHTZIAJQSA-N 2 0 366.465 0.790 20 0 FCADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001158076928 1223088676 /nfs/dbraw/zinc/08/86/76/1223088676.db2.gz QOEPHDJNWHXJLB-DYESRHJHSA-N 2 0 370.497 0.693 20 0 FCADRP O=C([C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118617 1223089544 /nfs/dbraw/zinc/08/95/44/1223089544.db2.gz BYIIQHXGUVIUDN-FIKGOQFSSA-N 2 0 368.481 0.808 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120217 1223089726 /nfs/dbraw/zinc/08/97/26/1223089726.db2.gz KKQYTDBGNWYVAF-JXFKEZNVSA-N 2 0 354.454 0.029 20 0 FCADRP O=C([C@@H]1C[NH2+]CCN1)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137814 1223089801 /nfs/dbraw/zinc/08/98/01/1223089801.db2.gz GWEXZQOUEOJCSW-OALUTQOASA-N 2 0 372.513 0.878 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162321 1223090234 /nfs/dbraw/zinc/09/02/34/1223090234.db2.gz XFURTHRIOVRCAI-RYGJVYDSSA-N 2 0 354.454 0.841 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170100 1223090238 /nfs/dbraw/zinc/09/02/38/1223090238.db2.gz VSWPBAQXGRXIRB-FOIQADDNSA-N 2 0 354.454 0.841 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170103 1223090322 /nfs/dbraw/zinc/09/03/22/1223090322.db2.gz VSWPBAQXGRXIRB-YWZLYKJASA-N 2 0 354.454 0.841 20 0 FCADRP O=C([C@H]1CCC2(C1)CC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262665 1223092303 /nfs/dbraw/zinc/09/23/03/1223092303.db2.gz VBZWIANKEXRUNR-HNNXBMFYSA-N 2 0 358.490 0.869 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158420893 1223097290 /nfs/dbraw/zinc/09/72/90/1223097290.db2.gz AFAGLDOUGGHYMC-HRCADAONSA-N 2 0 357.410 0.721 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001158496534 1223099910 /nfs/dbraw/zinc/09/99/10/1223099910.db2.gz RFEQAVSEZJXBSD-XHWCBRGXSA-N 2 0 365.474 0.287 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001158496604 1223100124 /nfs/dbraw/zinc/10/01/24/1223100124.db2.gz URFDCFPBEORBSE-PEJOBZMASA-N 2 0 373.453 0.548 20 0 FCADRP CCOC(=O)C1(C(=O)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[NH2+]C1 ZINC001158555825 1223102152 /nfs/dbraw/zinc/10/21/52/1223102152.db2.gz PAHQJACHLRNQMD-APWZRJJASA-N 2 0 357.454 0.745 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158548133 1223102255 /nfs/dbraw/zinc/10/22/55/1223102255.db2.gz QUWMSQLWJVGFSO-HBFSDRIKSA-N 2 0 353.470 0.896 20 0 FCADRP C[C@@H]1C(=O)Nc2cnc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)nc2N1C ZINC001158581856 1223103303 /nfs/dbraw/zinc/10/33/03/1223103303.db2.gz YXOSGGYMTVNIOV-CYBMUJFWSA-N 2 0 373.505 0.906 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927047 1223112618 /nfs/dbraw/zinc/11/26/18/1223112618.db2.gz WAAWOBRAPMCZJE-LPHOPBHVSA-N 2 0 362.449 0.843 20 0 FCADRP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]2C[NH2+]CC24C[NH2+]C4)CC3)cn1 ZINC001158983656 1223114634 /nfs/dbraw/zinc/11/46/34/1223114634.db2.gz WJZMLUCQLAYRPT-ZBFHGGJFSA-N 2 0 359.474 0.094 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[C@H]1CCC[NH2+]C1)CC2 ZINC001159190362 1223120262 /nfs/dbraw/zinc/12/02/62/1223120262.db2.gz JGLTXHOALVZDSW-CYBMUJFWSA-N 2 0 363.462 0.240 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338476 1223124665 /nfs/dbraw/zinc/12/46/65/1223124665.db2.gz FHYSCOBBWMGCGO-LVCYWYKZSA-N 3 0 370.497 0.658 20 0 FCADRP Cc1cccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159341017 1223125177 /nfs/dbraw/zinc/12/51/77/1223125177.db2.gz ZJXGIDGTSOBPGU-MJGOQNOKSA-N 2 0 358.486 0.930 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001159411430 1223126496 /nfs/dbraw/zinc/12/64/96/1223126496.db2.gz CACYAAHOZYYTOE-FQEVSTJZSA-N 2 0 357.502 0.975 20 0 FCADRP O=C(N1Cc2nccn2C[C@@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159583983 1223130002 /nfs/dbraw/zinc/13/00/02/1223130002.db2.gz FAHCHEINKKEYLU-MBOZVWFJSA-N 2 0 373.501 0.467 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]2C ZINC001159633137 1223131745 /nfs/dbraw/zinc/13/17/45/1223131745.db2.gz GMRVPYHXTUKAPT-RHSMWYFYSA-N 3 0 362.522 0.953 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667532 1223132728 /nfs/dbraw/zinc/13/27/28/1223132728.db2.gz UXMGBROWSYVKOL-MSOLQXFVSA-N 2 0 356.470 0.883 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664494 1223132834 /nfs/dbraw/zinc/13/28/34/1223132834.db2.gz FJXVZWWBNJXECF-MLHJIOFPSA-N 2 0 362.449 0.973 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663979 1223133047 /nfs/dbraw/zinc/13/30/47/1223133047.db2.gz BQIZCFDLZZSMRT-FGTMMUONSA-N 2 0 360.458 0.262 20 0 FCADRP C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159695943 1223133964 /nfs/dbraw/zinc/13/39/64/1223133964.db2.gz HGFZZDMCEJDDOC-XJKSGUPXSA-N 2 0 359.474 0.522 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159722944 1223135122 /nfs/dbraw/zinc/13/51/22/1223135122.db2.gz NIDNEQHPUFILSC-KGLIPLIRSA-N 2 0 371.445 0.263 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834568 1223137772 /nfs/dbraw/zinc/13/77/72/1223137772.db2.gz VONHCVVHGVBYTQ-CWRNSKLLSA-N 2 0 374.514 0.869 20 0 FCADRP CC(=O)OC[C@H](N)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855228 1223137899 /nfs/dbraw/zinc/13/78/99/1223137899.db2.gz JDWYXVVJQVPQEP-XIRDDKMYSA-N 2 0 365.405 0.380 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159994656 1223142233 /nfs/dbraw/zinc/14/22/33/1223142233.db2.gz SUIDBSGDHCVUGQ-KRWDZBQOSA-N 2 0 373.501 0.046 20 0 FCADRP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]12 ZINC001159993748 1223142317 /nfs/dbraw/zinc/14/23/17/1223142317.db2.gz QNINRAXRHOKILK-BJLQDIEVSA-N 2 0 358.486 0.844 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160017500 1223143066 /nfs/dbraw/zinc/14/30/66/1223143066.db2.gz UUSKBXAAKMZMKD-UHFFFAOYSA-N 2 0 358.446 0.528 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054074 1223143541 /nfs/dbraw/zinc/14/35/41/1223143541.db2.gz WVMYCACVYOPSIL-RKVPGOIHSA-N 3 0 362.478 0.095 20 0 FCADRP Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@H]4C[NH2+]CC45C[NH2+]C5)C3)CC2=O)s1 ZINC001160095234 1223144998 /nfs/dbraw/zinc/14/49/98/1223144998.db2.gz UGDKJDMYDMSTFT-KDOFPFPSSA-N 2 0 374.510 0.821 20 0 FCADRP O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C[C@H]21 ZINC001160119097 1223145961 /nfs/dbraw/zinc/14/59/61/1223145961.db2.gz CAFFEZBFPZCVOF-ARFHVFGLSA-N 2 0 372.469 0.827 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129656 1223146636 /nfs/dbraw/zinc/14/66/36/1223146636.db2.gz ZPMQKLJKCOQRCW-HNNXBMFYSA-N 2 0 370.457 0.678 20 0 FCADRP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155131 1223147152 /nfs/dbraw/zinc/14/71/52/1223147152.db2.gz DSFDJBVYARXUTF-CADBVGFASA-N 2 0 362.518 0.382 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160177893 1223148005 /nfs/dbraw/zinc/14/80/05/1223148005.db2.gz AILOZPZEABZRKB-CQSZACIVSA-N 2 0 369.425 0.342 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160230142 1223150859 /nfs/dbraw/zinc/15/08/59/1223150859.db2.gz IBDRXHGDXQMEPU-SJORKVTESA-N 2 0 372.473 0.520 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298888 1223153937 /nfs/dbraw/zinc/15/39/37/1223153937.db2.gz AUSQUBPNAZROGQ-IFXJQAMLSA-N 2 0 374.441 0.437 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160391773 1223157474 /nfs/dbraw/zinc/15/74/74/1223157474.db2.gz PJHUOJRXBPBQOQ-INIZCTEOSA-N 3 0 367.538 0.378 20 0 FCADRP O=C(C1CC[NH2+]CC1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160405586 1223157961 /nfs/dbraw/zinc/15/79/61/1223157961.db2.gz JYHFVXCPIOXSHE-UHFFFAOYSA-N 2 0 355.446 0.699 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160407772 1223158017 /nfs/dbraw/zinc/15/80/17/1223158017.db2.gz CNZAOLURWJWXNX-UONOGXRCSA-N 2 0 373.436 0.647 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)COC1(C)C ZINC001160463931 1223161010 /nfs/dbraw/zinc/16/10/10/1223161010.db2.gz QPIYLLHXAWXBRG-XHSDSOJGSA-N 2 0 366.506 0.774 20 0 FCADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001160542115 1223164068 /nfs/dbraw/zinc/16/40/68/1223164068.db2.gz OJIVEAJQUVLNNP-ZBFHGGJFSA-N 2 0 368.441 0.113 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160586104 1223165448 /nfs/dbraw/zinc/16/54/48/1223165448.db2.gz WMPCGSUBDKIOHB-INIZCTEOSA-N 3 0 373.501 0.902 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001160627761 1223166495 /nfs/dbraw/zinc/16/64/95/1223166495.db2.gz GLXIZOKEUIXGFO-OALUTQOASA-N 3 0 367.582 0.792 20 0 FCADRP O=C([C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641051 1223167397 /nfs/dbraw/zinc/16/73/97/1223167397.db2.gz VLQCHGNWHSURST-IAGOWNOFSA-N 2 0 370.453 0.371 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)CCO1 ZINC001160643574 1223167536 /nfs/dbraw/zinc/16/75/36/1223167536.db2.gz JEOICCYKOAQDAK-YJBOKZPZSA-N 2 0 357.458 0.300 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C2 ZINC001160803665 1223174126 /nfs/dbraw/zinc/17/41/26/1223174126.db2.gz HNICYYYFCXCINC-DEWZPKMOSA-N 2 0 354.410 0.805 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001160840438 1223176802 /nfs/dbraw/zinc/17/68/02/1223176802.db2.gz WMESEDZJLLHSLQ-IAGOWNOFSA-N 2 0 363.458 0.626 20 0 FCADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160826208 1223177060 /nfs/dbraw/zinc/17/70/60/1223177060.db2.gz VMDYZEROMDELGQ-GOEBONIOSA-N 2 0 365.478 0.894 20 0 FCADRP O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160936009 1223180973 /nfs/dbraw/zinc/18/09/73/1223180973.db2.gz FAQQOSDWMFFMNQ-INIZCTEOSA-N 2 0 357.458 0.240 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000068 1223182580 /nfs/dbraw/zinc/18/25/80/1223182580.db2.gz OWBZHACFPCWMSL-SJORKVTESA-N 2 0 360.502 0.598 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)c2ccco2)CC1 ZINC001161000900 1223183244 /nfs/dbraw/zinc/18/32/44/1223183244.db2.gz VXWQQLBKCLHKTI-IRXDYDNUSA-N 2 0 362.474 0.459 20 0 FCADRP CN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161065091 1223184137 /nfs/dbraw/zinc/18/41/37/1223184137.db2.gz PISQLMNXGRJWPV-YCPHGPKFSA-N 2 0 358.446 0.732 20 0 FCADRP CN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161065088 1223184199 /nfs/dbraw/zinc/18/41/99/1223184199.db2.gz PISQLMNXGRJWPV-DZKIICNBSA-N 2 0 358.446 0.732 20 0 FCADRP CN(C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)C1(C)CC[NH2+]CC1 ZINC001161073191 1223184224 /nfs/dbraw/zinc/18/42/24/1223184224.db2.gz KKZLVIZMCIXRPD-OAHLLOKOSA-N 2 0 358.446 0.604 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001161153326 1223187752 /nfs/dbraw/zinc/18/77/52/1223187752.db2.gz HOPQISMVXCNBEJ-KRWDZBQOSA-N 2 0 366.462 0.357 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161157790 1223188171 /nfs/dbraw/zinc/18/81/71/1223188171.db2.gz JVAHYATYZNXZPG-OXJNMPFZSA-N 2 0 374.485 0.453 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196351 1223188505 /nfs/dbraw/zinc/18/85/05/1223188505.db2.gz DLJBKQKOLJZETI-QZTJIDSGSA-N 2 0 370.513 0.485 20 0 FCADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161171968 1223188558 /nfs/dbraw/zinc/18/85/58/1223188558.db2.gz RIGZZFMGIXTAAQ-JGGQBBKZSA-N 2 0 363.462 0.293 20 0 FCADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161170027 1223188693 /nfs/dbraw/zinc/18/86/93/1223188693.db2.gz IERQFUVNKAXXOY-ZNMIVQPWSA-N 2 0 365.478 0.812 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001161304241 1223195189 /nfs/dbraw/zinc/19/51/89/1223195189.db2.gz XZSOZXIAWGWFGD-KRWDZBQOSA-N 2 0 362.474 0.697 20 0 FCADRP CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001161333684 1223196515 /nfs/dbraw/zinc/19/65/15/1223196515.db2.gz WEDCAOARLYEPCS-HOTGVXAUSA-N 2 0 361.490 0.910 20 0 FCADRP COc1ccnc(OC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)n1 ZINC001161367631 1223197200 /nfs/dbraw/zinc/19/72/00/1223197200.db2.gz NBGPQSMLJTVDBA-FZKQIMNGSA-N 2 0 361.446 0.054 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380836 1223197950 /nfs/dbraw/zinc/19/79/50/1223197950.db2.gz VYNKJAOKYJRWNC-QFBILLFUSA-N 2 0 358.486 0.906 20 0 FCADRP COc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)ccn1 ZINC001161393575 1223198048 /nfs/dbraw/zinc/19/80/48/1223198048.db2.gz IDHSYSSMVWJXIN-CVEARBPZSA-N 2 0 360.458 0.944 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H](Oc3ccccc3)C[NH2+]1)CC2 ZINC001161476220 1223200172 /nfs/dbraw/zinc/20/01/72/1223200172.db2.gz BTYIQBZTMAQUKZ-BOSXTWCSSA-N 2 0 373.453 0.550 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CO[C@]3(C1)CCC[NH2+]CC3)CC2 ZINC001161477462 1223200709 /nfs/dbraw/zinc/20/07/09/1223200709.db2.gz IUZDHKNKGMNOOY-RGCFKVTRSA-N 2 0 365.474 0.289 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1Cc3cc(O)ccc3C[NH2+]1)CC2 ZINC001161480550 1223200750 /nfs/dbraw/zinc/20/07/50/1223200750.db2.gz UVBUALOTICQWNI-GJYPPUQNSA-N 2 0 359.426 0.160 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(OC)ccc31)CC2 ZINC001161481655 1223201572 /nfs/dbraw/zinc/20/15/72/1223201572.db2.gz YVFMJMBROWZSJZ-HLIPFELVSA-N 2 0 373.453 0.636 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](c2cc3ccccc3o2)N2CC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493315 1223202496 /nfs/dbraw/zinc/20/24/96/1223202496.db2.gz KOGHYGJOEUXSAJ-ZZCKCESHSA-N 2 0 358.442 0.691 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)CC12COC2 ZINC001161509880 1223202516 /nfs/dbraw/zinc/20/25/16/1223202516.db2.gz MCBJPNYRDBAOSM-QZTJIDSGSA-N 2 0 369.469 0.300 20 0 FCADRP c1ncc([C@H]2C[NH+]3CCC2CC3)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973372 1223222558 /nfs/dbraw/zinc/22/25/58/1223222558.db2.gz JOAJCTQGIPVELF-AWEZNQCLSA-N 2 0 354.462 0.983 20 0 FCADRP c1cc(NCc2nnn3c2C[NH2+]CCC3)cn2nc([C@H]3CC[NH2+]C3)nc12 ZINC001162978179 1223222575 /nfs/dbraw/zinc/22/25/75/1223222575.db2.gz TULAUZUEBAAMFI-LBPRGKRZSA-N 2 0 353.434 0.503 20 0 FCADRP c1cc(NCc2nnc3n2CCC[NH2+]C3)cn2nnc([C@H]3CCC[NH2+]3)c12 ZINC001163017262 1223224087 /nfs/dbraw/zinc/22/40/87/1223224087.db2.gz BODVWDYBHOVYGU-CYBMUJFWSA-N 2 0 353.434 0.851 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc2c(n1)N1CCC[C@@H]1C(=O)N2C ZINC001163126400 1223227183 /nfs/dbraw/zinc/22/71/83/1223227183.db2.gz RGHBBULQQWAQFM-GFCCVEGCSA-N 2 0 360.466 0.700 20 0 FCADRP NC1=CC=C(C2CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)[NH2+]C1 ZINC001163133172 1223227205 /nfs/dbraw/zinc/22/72/05/1223227205.db2.gz CKKKCVGLAGECPU-UHFFFAOYSA-N 2 0 355.490 0.950 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001165408013 1223245809 /nfs/dbraw/zinc/24/58/09/1223245809.db2.gz HKBMUZMLZZDOKQ-AEGPPILISA-N 2 0 361.446 0.337 20 0 FCADRP c1cn(Cc2noc3c2CN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)cn1 ZINC001165548609 1223248722 /nfs/dbraw/zinc/24/87/22/1223248722.db2.gz AEBSZAGFSWTSRY-UHFFFAOYSA-N 2 0 366.429 0.682 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728756 1223255187 /nfs/dbraw/zinc/25/51/87/1223255187.db2.gz SXTUTJVIUQFLMJ-OWCLPIDISA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC001165727721 1223255366 /nfs/dbraw/zinc/25/53/66/1223255366.db2.gz HISIZBUEKSOCIP-OWCLPIDISA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937122 1223262376 /nfs/dbraw/zinc/26/23/76/1223262376.db2.gz KGVZSFXESAUAMP-GFCCVEGCSA-N 2 0 367.457 0.578 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001205339134 1223320477 /nfs/dbraw/zinc/32/04/77/1223320477.db2.gz ASYKVLNHOALCKZ-GDBMZVCRSA-N 2 0 364.490 0.304 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205428774 1223322858 /nfs/dbraw/zinc/32/28/58/1223322858.db2.gz MBUMBROCBPVNHW-DLBZAZTESA-N 2 0 364.465 0.798 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001205417162 1223322863 /nfs/dbraw/zinc/32/28/63/1223322863.db2.gz RPRCPJBTEGARDQ-GVDBMIGSSA-N 2 0 364.465 0.796 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001205428803 1223322940 /nfs/dbraw/zinc/32/29/40/1223322940.db2.gz MRUHGPIWYIOFAD-JKSUJKDBSA-N 2 0 362.449 0.537 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205445521 1223323800 /nfs/dbraw/zinc/32/38/00/1223323800.db2.gz GMNXCRZLFHVTBQ-DLBZAZTESA-N 2 0 364.465 0.798 20 0 FCADRP c1cc(N2CC[NH2+]CC2)ccc1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001205538390 1223331736 /nfs/dbraw/zinc/33/17/36/1223331736.db2.gz KABPQAKQQOECRK-UHFFFAOYSA-N 2 0 366.469 0.993 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F)C(N)=O ZINC001205648693 1223334033 /nfs/dbraw/zinc/33/40/33/1223334033.db2.gz OYTLOXOYWBWGAO-USXIJHARSA-N 2 0 364.465 0.925 20 0 FCADRP CN1CCN(c2ncnc3c2CC[N@H+](Cc2cccc(=O)[nH]2)CC3)CC1 ZINC001207069772 1223411439 /nfs/dbraw/zinc/41/14/39/1223411439.db2.gz TZKRSHMOCNCUHK-UHFFFAOYSA-N 2 0 354.458 0.930 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)C4CC4)nc3C2)CC1 ZINC001207397212 1223443743 /nfs/dbraw/zinc/44/37/43/1223443743.db2.gz GFQDWPQQBDIUCT-UHFFFAOYSA-N 2 0 373.501 0.817 20 0 FCADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435680 1223446473 /nfs/dbraw/zinc/44/64/73/1223446473.db2.gz SSSFGVGIXKRKLE-LJQANCHMSA-N 2 0 374.489 0.059 20 0 FCADRP Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](CC2CC[NH2+]CC2)CC3)cn1 ZINC001207436670 1223446503 /nfs/dbraw/zinc/44/65/03/1223446503.db2.gz HHWDZDMQTVKISJ-UHFFFAOYSA-N 2 0 371.489 0.404 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001208071302 1223513380 /nfs/dbraw/zinc/51/33/80/1223513380.db2.gz ZNOGAXAXLSSHPM-BFYDXBDKSA-N 2 0 362.474 0.817 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001208071233 1223513529 /nfs/dbraw/zinc/51/35/29/1223513529.db2.gz YDWMQKVXICPTGY-QLFBSQMISA-N 2 0 363.462 0.842 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491953 1223551024 /nfs/dbraw/zinc/55/10/24/1223551024.db2.gz BCTVZHGFQXPEBK-CXAGYDPISA-N 2 0 360.462 0.963 20 0 FCADRP CC[NH+]1CCC(CN2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)CC1 ZINC001208596747 1223561024 /nfs/dbraw/zinc/56/10/24/1223561024.db2.gz XSZYCRTURZNTCQ-KRWDZBQOSA-N 2 0 363.506 0.809 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610629 1223562836 /nfs/dbraw/zinc/56/28/36/1223562836.db2.gz RIXDDPQJGOUTNA-VQHPVUNQSA-N 2 0 359.474 0.951 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208675577 1223569796 /nfs/dbraw/zinc/56/97/96/1223569796.db2.gz FAVJYKANZMGMIC-BRWVUGGUSA-N 2 0 365.522 0.658 20 0 FCADRP COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276589499 1223580464 /nfs/dbraw/zinc/58/04/64/1223580464.db2.gz UTJHAHZTPQWNLV-LJQANCHMSA-N 2 0 360.458 0.854 20 0 FCADRP CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630202 1223608666 /nfs/dbraw/zinc/60/86/66/1223608666.db2.gz MGLRCGRLTSTMKL-AZUAARDMSA-N 2 0 366.550 0.973 20 0 FCADRP CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276630237 1223609541 /nfs/dbraw/zinc/60/95/41/1223609541.db2.gz NNAYJEZVNPPANY-WMZOPIPTSA-N 2 0 364.534 0.820 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209341339 1223612574 /nfs/dbraw/zinc/61/25/74/1223612574.db2.gz MIVINRKLGSGKOP-CQSZACIVSA-N 2 0 362.474 0.201 20 0 FCADRP Cc1noc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209829604 1223652122 /nfs/dbraw/zinc/65/21/22/1223652122.db2.gz HSOCFOHVDDBLJD-XJKCOSOUSA-N 2 0 365.478 0.986 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001211451947 1223743128 /nfs/dbraw/zinc/74/31/28/1223743128.db2.gz MCKRBVUZBFJJBC-SOLBZPMBSA-N 2 0 358.442 0.760 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638211 1223825795 /nfs/dbraw/zinc/82/57/95/1223825795.db2.gz DANWSMRXVXOKDA-CGTJXYLNSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638545 1223826057 /nfs/dbraw/zinc/82/60/57/1223826057.db2.gz SXXSKZJHHUOTMD-CGTJXYLNSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213857603 1223862509 /nfs/dbraw/zinc/86/25/09/1223862509.db2.gz QJQXVRMJCCABPM-IPMKNSEASA-N 2 0 361.486 0.970 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868346 1223865132 /nfs/dbraw/zinc/86/51/32/1223865132.db2.gz RTYZTNLUPMWGHK-QZTJIDSGSA-N 2 0 363.506 0.965 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001214336124 1223902412 /nfs/dbraw/zinc/90/24/12/1223902412.db2.gz UWHKXIGNFIDJCW-MGPQQGTHSA-N 2 0 367.494 0.141 20 0 FCADRP CCCn1nnnc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164888 1248712708 /nfs/dbraw/zinc/71/27/08/1248712708.db2.gz GZZCSZGCHPQFMU-QCODTGAPSA-N 2 0 361.494 0.217 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889549 1223952338 /nfs/dbraw/zinc/95/23/38/1223952338.db2.gz MJMVPRAXCCDLMQ-BPQIPLTHSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)no1 ZINC001214904709 1223953967 /nfs/dbraw/zinc/95/39/67/1223953967.db2.gz GCBOGYYSHXARCQ-MRRJBJDNSA-N 2 0 365.478 0.944 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001214996911 1223962426 /nfs/dbraw/zinc/96/24/26/1223962426.db2.gz FGZZVKLWZXZTCI-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215001338 1223962760 /nfs/dbraw/zinc/96/27/60/1223962760.db2.gz DUKMLGSEKXLANX-HZSPNIEDSA-N 2 0 369.510 0.387 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001215003457 1223962823 /nfs/dbraw/zinc/96/28/23/1223962823.db2.gz DWPOWWSBHDADHV-TZMCWYRMSA-N 2 0 367.494 0.141 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001215003445 1223963045 /nfs/dbraw/zinc/96/30/45/1223963045.db2.gz DGWJTAXSTDUOJT-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215200501 1223981641 /nfs/dbraw/zinc/98/16/41/1223981641.db2.gz YQWKTJRVXBROQH-OWCLPIDISA-N 2 0 360.462 0.047 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1C ZINC001215226825 1223983583 /nfs/dbraw/zinc/98/35/83/1223983583.db2.gz UFLKBEHIEUQHDS-DJIMGWMZSA-N 2 0 366.506 0.060 20 0 FCADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215226254 1223983920 /nfs/dbraw/zinc/98/39/20/1223983920.db2.gz HHNCFHVRTMVHSP-OIISXLGYSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215224868 1223984006 /nfs/dbraw/zinc/98/40/06/1223984006.db2.gz YYPKMFKRXTWMCL-ZTFGCOKTSA-N 2 0 362.518 0.824 20 0 FCADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215225965 1223984011 /nfs/dbraw/zinc/98/40/11/1223984011.db2.gz ANUDWLLBZQCIDK-KURKYZTESA-N 2 0 371.522 0.587 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215408036 1223997548 /nfs/dbraw/zinc/99/75/48/1223997548.db2.gz WPUYKIGDLKCNBS-CZUORRHYSA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001215416581 1223998426 /nfs/dbraw/zinc/99/84/26/1223998426.db2.gz UZSGZRDDVJXQIB-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423369 1223998972 /nfs/dbraw/zinc/99/89/72/1223998972.db2.gz JCZTWMNCVGJIIT-RBSFLKMASA-N 2 0 369.510 0.387 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)on1 ZINC001215453776 1224000151 /nfs/dbraw/zinc/00/01/51/1224000151.db2.gz QUQABSFPGWBESD-IUODEOHRSA-N 2 0 363.462 0.700 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](CC)CC ZINC001215516726 1224003453 /nfs/dbraw/zinc/00/34/53/1224003453.db2.gz SEIAXYXMYABJGX-OAGGEKHMSA-N 2 0 366.506 0.692 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540790 1224005337 /nfs/dbraw/zinc/00/53/37/1224005337.db2.gz QCPVGTLAGSZOPY-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1)[NH+](C)C ZINC001215571834 1224006889 /nfs/dbraw/zinc/00/68/89/1224006889.db2.gz WYFTWGGVJLVVKX-OIISXLGYSA-N 2 0 361.490 0.475 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598737 1224008861 /nfs/dbraw/zinc/00/88/61/1224008861.db2.gz HOXMVKTUZLRBJR-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599310 1224008911 /nfs/dbraw/zinc/00/89/11/1224008911.db2.gz ZLLXACKVISMEKP-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC001216002581 1224029237 /nfs/dbraw/zinc/02/92/37/1224029237.db2.gz WDMLKHBCAJVBAE-IUODEOHRSA-N 2 0 364.494 0.743 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216001990 1224029418 /nfs/dbraw/zinc/02/94/18/1224029418.db2.gz NFSASWBVNIMAAU-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384110 1224048198 /nfs/dbraw/zinc/04/81/98/1224048198.db2.gz YGBPRRGGDXVEHG-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001216401562 1224048625 /nfs/dbraw/zinc/04/86/25/1224048625.db2.gz MHRSCLJSOOFYMU-NVXWUHKLSA-N 2 0 363.506 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001216402027 1224048665 /nfs/dbraw/zinc/04/86/65/1224048665.db2.gz SNCQNUUWLPOJTB-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216404821 1224048928 /nfs/dbraw/zinc/04/89/28/1224048928.db2.gz DYZFMWJAWUCPAY-NVXWUHKLSA-N 2 0 362.518 0.968 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458875 1224052594 /nfs/dbraw/zinc/05/25/94/1224052594.db2.gz GBAYISJAZKWOCA-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752250 1224068266 /nfs/dbraw/zinc/06/82/66/1224068266.db2.gz JBHHRVWLWSMPMB-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757743 1224069569 /nfs/dbraw/zinc/06/95/69/1224069569.db2.gz KRIJOQFXOJLFAB-IXDOHACOSA-N 2 0 368.522 0.163 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216853932 1224078943 /nfs/dbraw/zinc/07/89/43/1224078943.db2.gz OUXCNXARPOGFDC-SOLBZPMBSA-N 2 0 367.490 0.934 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217010738 1224084205 /nfs/dbraw/zinc/08/42/05/1224084205.db2.gz VBQMOCQSWHOVPU-BXUZGUMPSA-N 2 0 359.434 0.298 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C)c1ccco1 ZINC001217010709 1224084392 /nfs/dbraw/zinc/08/43/92/1224084392.db2.gz UEVAIEKGPZYCTI-RBSFLKMASA-N 2 0 359.430 0.790 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000849056612 1245391194 /nfs/dbraw/zinc/39/11/94/1245391194.db2.gz ZRSBUUNEBXQGEX-CQSZACIVSA-N 2 0 364.494 0.839 20 0 FCADRP CC(C)[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000849111241 1245392433 /nfs/dbraw/zinc/39/24/33/1245392433.db2.gz XFVGSURUDIDNIS-OAHLLOKOSA-N 2 0 370.542 0.897 20 0 FCADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849111505 1245392721 /nfs/dbraw/zinc/39/27/21/1245392721.db2.gz QOJPNRUSBBVHTB-CYBMUJFWSA-N 2 0 370.498 0.212 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891512618 1245452114 /nfs/dbraw/zinc/45/21/14/1245452114.db2.gz QUODRRZREOTDLJ-WKILWMFISA-N 2 0 361.494 0.415 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567025 1245455767 /nfs/dbraw/zinc/45/57/67/1245455767.db2.gz UTIYBZIVACTNGE-XMTFNYHQSA-N 2 0 365.522 0.223 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911560036 1245514804 /nfs/dbraw/zinc/51/48/04/1245514804.db2.gz BLWSGAMBHHDJQS-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911560037 1245515390 /nfs/dbraw/zinc/51/53/90/1245515390.db2.gz BLWSGAMBHHDJQS-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000922345331 1245670540 /nfs/dbraw/zinc/67/05/40/1245670540.db2.gz CXJLZPIOQDFUNA-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP Cc1nccn1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000936110331 1245750097 /nfs/dbraw/zinc/75/00/97/1245750097.db2.gz ZIELDQWFVBBOOD-RBSFLKMASA-N 2 0 356.430 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@@H]4CCOC4)C3)CC2)CC[N@@H+]1C ZINC000941412481 1246607858 /nfs/dbraw/zinc/60/78/58/1246607858.db2.gz HDFUQHGUAWLECR-ZHALLVOQSA-N 2 0 364.534 0.582 20 0 FCADRP COC[C@@H](C)[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000941570970 1246692057 /nfs/dbraw/zinc/69/20/57/1246692057.db2.gz HPBLMCGWOCTAME-DJIMGWMZSA-N 2 0 361.490 0.387 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941785316 1246826481 /nfs/dbraw/zinc/82/64/81/1246826481.db2.gz DJNPRKDQSWIUGA-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552658 1247128272 /nfs/dbraw/zinc/12/82/72/1247128272.db2.gz LTQCBSYBNSQQGM-BRWVUGGUSA-N 2 0 366.506 0.010 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000942595691 1247151747 /nfs/dbraw/zinc/15/17/47/1247151747.db2.gz FKAYRPMCKCWXRT-IXDOHACOSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943592396 1247364492 /nfs/dbraw/zinc/36/44/92/1247364492.db2.gz ZWWDEGFZHNWRMH-NUEKZKHPSA-N 2 0 363.462 0.026 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943602338 1247366466 /nfs/dbraw/zinc/36/64/66/1247366466.db2.gz ZJIDXVPKJMRCLQ-ARFHVFGLSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000945963521 1247769929 /nfs/dbraw/zinc/76/99/29/1247769929.db2.gz AZOQHOUUTVOZDG-BYNSBNAKSA-N 2 0 363.462 0.025 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnn(C)n4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595132 1247907741 /nfs/dbraw/zinc/90/77/41/1247907741.db2.gz JZOAFZPKXNFDDA-XLMAVXFVSA-N 2 0 360.506 0.826 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000946769554 1248000007 /nfs/dbraw/zinc/00/00/07/1248000007.db2.gz AQOIRFXHFCHHAC-BZUAXINKSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC000946841891 1248040474 /nfs/dbraw/zinc/04/04/74/1248040474.db2.gz FJVYAKZBXFXUOM-OLMNPRSZSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001327932069 1265457410 /nfs/dbraw/zinc/45/74/10/1265457410.db2.gz GFIBMMIXADQIMT-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC000976608403 1248289948 /nfs/dbraw/zinc/28/99/48/1248289948.db2.gz JMPFCDUSMKWHRU-FIDHJVLJSA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976607647 1248290488 /nfs/dbraw/zinc/29/04/88/1248290488.db2.gz IEEDGWXDJSBXIJ-SQZHQNNWSA-N 2 0 362.518 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC000976610131 1248292209 /nfs/dbraw/zinc/29/22/09/1248292209.db2.gz PMUCLLRJSMLTMP-MNWMBMHPSA-N 2 0 362.518 0.630 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976661254 1248329425 /nfs/dbraw/zinc/32/94/25/1248329425.db2.gz VKWBRXVVHIJHKK-ZXLDYLNASA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCOCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825469 1250994961 /nfs/dbraw/zinc/99/49/61/1250994961.db2.gz NELBEZZFRDOITB-OAGGEKHMSA-N 2 0 366.506 0.012 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC000995908233 1251048093 /nfs/dbraw/zinc/04/80/93/1251048093.db2.gz JUOPBVLLESJJMF-QZWWFDLISA-N 2 0 360.502 0.957 20 0 FCADRP CCCCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000996328092 1251317168 /nfs/dbraw/zinc/31/71/68/1251317168.db2.gz CHNRZCDKHAGJOI-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC000996716881 1251423621 /nfs/dbraw/zinc/42/36/21/1251423621.db2.gz VDNNPLQHHGVLDJ-XWSJACJDSA-N 2 0 374.529 0.918 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000997096946 1251494738 /nfs/dbraw/zinc/49/47/38/1251494738.db2.gz FXXTYMDNKXJJQF-BFYDXBDKSA-N 2 0 365.522 0.569 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000997595617 1251634643 /nfs/dbraw/zinc/63/46/43/1251634643.db2.gz FXXTYMDNKXJJQF-ZMSDIMECSA-N 2 0 365.522 0.569 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000998792926 1251969128 /nfs/dbraw/zinc/96/91/28/1251969128.db2.gz GIZPBJFKXHEGDI-SJJHQCBESA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000999202820 1252068879 /nfs/dbraw/zinc/06/88/79/1252068879.db2.gz YFTJDTFMNJPXRB-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@@H+]1C ZINC001002237078 1252483077 /nfs/dbraw/zinc/48/30/77/1252483077.db2.gz VIVPAOGCHMOHNQ-CXAGYDPISA-N 2 0 355.442 0.863 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002241673 1252486084 /nfs/dbraw/zinc/48/60/84/1252486084.db2.gz AAZQBWGOKNSMPC-BPQIPLTHSA-N 2 0 364.534 0.879 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002248777 1252489284 /nfs/dbraw/zinc/48/92/84/1252489284.db2.gz RNJVCVJGPIWBBP-DJIMGWMZSA-N 2 0 366.506 0.010 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC001002258758 1252493264 /nfs/dbraw/zinc/49/32/64/1252493264.db2.gz REIHCGWHLUMMME-RCCFBDPRSA-N 2 0 362.518 0.633 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760442 1265677785 /nfs/dbraw/zinc/67/77/85/1265677785.db2.gz INEGNRJKBUGBJF-DLBZAZTESA-N 2 0 355.527 0.278 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001003744818 1253086783 /nfs/dbraw/zinc/08/67/83/1253086783.db2.gz BMNHKSUKCPZMNL-BDXSIMOUSA-N 2 0 362.518 0.917 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001003862191 1253127722 /nfs/dbraw/zinc/12/77/22/1253127722.db2.gz HRTLOZUTHBKLSJ-WCXIOVBPSA-N 2 0 360.502 0.815 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)C12CCC[NH+]1CCC2 ZINC001004286116 1253275325 /nfs/dbraw/zinc/27/53/25/1253275325.db2.gz TYHZFIUWJLBFQT-ZACQAIPSSA-N 2 0 372.513 0.959 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001005414963 1253550544 /nfs/dbraw/zinc/55/05/44/1253550544.db2.gz JCBRJXOYMIEEPB-DLBZAZTESA-N 2 0 365.522 0.665 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001034221053 1253982478 /nfs/dbraw/zinc/98/24/78/1253982478.db2.gz YNNPNRJHISTUGP-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001061621413 1254194505 /nfs/dbraw/zinc/19/45/05/1254194505.db2.gz VJFFWVHEIICRRO-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001061663012 1254200139 /nfs/dbraw/zinc/20/01/39/1254200139.db2.gz FNYJJIAOCFJDCZ-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)CC)CC[N@@H+]1C ZINC001061898594 1254230227 /nfs/dbraw/zinc/23/02/27/1254230227.db2.gz LCUMSNQBEPVJON-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C34CC[NH+](CC3)C4)CCC2)CC[N@@H+]1C ZINC001063227349 1254317935 /nfs/dbraw/zinc/31/79/35/1254317935.db2.gz NQSVURLGEFOOMR-JKSUJKDBSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065207654 1254490155 /nfs/dbraw/zinc/49/01/55/1254490155.db2.gz UMFULHCFQDXQCE-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001065212625 1254493508 /nfs/dbraw/zinc/49/35/08/1254493508.db2.gz RCQBBMPOMXSIOJ-YESZJQIVSA-N 2 0 368.522 0.401 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001065411655 1254528459 /nfs/dbraw/zinc/52/84/59/1254528459.db2.gz YZSBZIVRAVQWPE-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553775 1254678894 /nfs/dbraw/zinc/67/88/94/1254678894.db2.gz RXISNQHHUJUFTQ-RCCFBDPRSA-N 2 0 363.506 0.246 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553774 1254680167 /nfs/dbraw/zinc/68/01/67/1254680167.db2.gz RXISNQHHUJUFTQ-KZNAEPCWSA-N 2 0 363.506 0.246 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001077685417 1254877577 /nfs/dbraw/zinc/87/75/77/1254877577.db2.gz PYIBAKCKMIHYQJ-GUDVDZBRSA-N 2 0 363.502 0.991 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818483 1255019187 /nfs/dbraw/zinc/01/91/87/1255019187.db2.gz YEFOGRULBATIMV-KFKAGJAMSA-N 2 0 371.485 0.981 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001078404234 1255408414 /nfs/dbraw/zinc/40/84/14/1255408414.db2.gz WCMUBDZWYGXYGH-FGTMMUONSA-N 2 0 363.506 0.858 20 0 FCADRP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146775 1255459202 /nfs/dbraw/zinc/45/92/02/1255459202.db2.gz GQRADTUWTPWHBX-GUDVDZBRSA-N 2 0 361.486 0.658 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1F)C(N)=O ZINC001079321046 1255507116 /nfs/dbraw/zinc/50/71/16/1255507116.db2.gz YDXCLANBNNXGEJ-UKPHBRMFSA-N 2 0 362.449 0.679 20 0 FCADRP Cc1ccc2nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2c1 ZINC001330252651 1265973132 /nfs/dbraw/zinc/97/31/32/1265973132.db2.gz OJIRMZNRKVXJHJ-UHFFFAOYSA-N 2 0 374.489 0.211 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949097 1255677280 /nfs/dbraw/zinc/67/72/80/1255677280.db2.gz OXPPVNHLZFJSFZ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039163 1255721400 /nfs/dbraw/zinc/72/14/00/1255721400.db2.gz ZZFHKFQLUNLXAL-BRWVUGGUSA-N 2 0 361.490 0.309 20 0 FCADRP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161043 1255766381 /nfs/dbraw/zinc/76/63/81/1255766381.db2.gz KFKLQXJIWXGSSH-CQNSDRIQSA-N 2 0 363.502 0.855 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188661 1255778875 /nfs/dbraw/zinc/77/88/75/1255778875.db2.gz OVDPVAMNWPSFHG-SUMDDJOVSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080876885 1256069805 /nfs/dbraw/zinc/06/98/05/1256069805.db2.gz USHCYVNTBYCBOT-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080877629 1256070989 /nfs/dbraw/zinc/07/09/89/1256070989.db2.gz GCPAPNANWIBXQJ-HZPDHXFCSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081125668 1256187565 /nfs/dbraw/zinc/18/75/65/1256187565.db2.gz LUHBDXHZEVATTL-FHLIZLRMSA-N 2 0 358.486 0.929 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001081125675 1256187867 /nfs/dbraw/zinc/18/78/67/1256187867.db2.gz MGIQJCAOOIBAIZ-IPMKNSEASA-N 2 0 370.497 0.943 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)on1 ZINC001082517952 1256800381 /nfs/dbraw/zinc/80/03/81/1256800381.db2.gz QOWOCZWLRICJFN-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082544865 1256834612 /nfs/dbraw/zinc/83/46/12/1256834612.db2.gz VWSGGRBUEZDGLL-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082620120 1256930791 /nfs/dbraw/zinc/93/07/91/1256930791.db2.gz XOQCHPBBKKTCEG-CZUORRHYSA-N 2 0 369.425 0.533 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082637269 1256944678 /nfs/dbraw/zinc/94/46/78/1256944678.db2.gz WFFRLBRGYPDSAB-RHSMWYFYSA-N 2 0 368.441 0.550 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082645408 1256951000 /nfs/dbraw/zinc/95/10/00/1256951000.db2.gz ZMYWORKYFCTVKL-KCPJHIHWSA-N 2 0 355.398 0.190 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)cn1 ZINC001082798124 1257058382 /nfs/dbraw/zinc/05/83/82/1257058382.db2.gz BWIRUEKAPSLIKV-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082851808 1257104396 /nfs/dbraw/zinc/10/43/96/1257104396.db2.gz DIIZXQOMHPRARR-FHLIZLRMSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082864799 1257114659 /nfs/dbraw/zinc/11/46/59/1257114659.db2.gz KRSLCJKYGMBGHY-IIAWOOMASA-N 2 0 369.473 0.977 20 0 FCADRP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083082434 1257281878 /nfs/dbraw/zinc/28/18/78/1257281878.db2.gz XPYHQVZLXCNIPL-NZSAHSFTSA-N 2 0 365.518 0.935 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083083914 1257284392 /nfs/dbraw/zinc/28/43/92/1257284392.db2.gz REXYOJARLMJIEX-CEXWTWQISA-N 2 0 363.502 0.666 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@H+](C)CCN1C ZINC001521342333 1266113915 /nfs/dbraw/zinc/11/39/15/1266113915.db2.gz FYYPASUKPTWLAJ-WBVHZDCISA-N 2 0 351.495 0.987 20 0 FCADRP C[C@H](c1ccccc1)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470235 1257461552 /nfs/dbraw/zinc/46/15/52/1257461552.db2.gz GRWPOYNTESEWPI-LZQZEXGQSA-N 2 0 371.485 0.981 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC1 ZINC001083833678 1257587299 /nfs/dbraw/zinc/58/72/99/1257587299.db2.gz PEKHLNRYGLDJHV-MOPGFXCFSA-N 2 0 361.486 0.572 20 0 FCADRP C[C@H](c1ccccc1)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851302 1257607873 /nfs/dbraw/zinc/60/78/73/1257607873.db2.gz YEFOGRULBATIMV-LZQZEXGQSA-N 2 0 371.485 0.981 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC001521482237 1266126344 /nfs/dbraw/zinc/12/63/44/1266126344.db2.gz JCYXCRHBTRFZCH-AZUAARDMSA-N 2 0 361.486 0.551 20 0 FCADRP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083953584 1257743106 /nfs/dbraw/zinc/74/31/06/1257743106.db2.gz XXGZVZBIRLPUOE-OTWHNJEPSA-N 2 0 361.486 0.836 20 0 FCADRP [NH3+]CCN(CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)Cc1ccccc1 ZINC001331066658 1266139445 /nfs/dbraw/zinc/13/94/45/1266139445.db2.gz MSOWBCSWMUYESU-GOSISDBHSA-N 2 0 360.502 0.722 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052876 1257863254 /nfs/dbraw/zinc/86/32/54/1257863254.db2.gz KRGXWDDXCKVOCU-QRQLOZEOSA-N 2 0 354.454 0.848 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052948 1257865606 /nfs/dbraw/zinc/86/56/06/1257865606.db2.gz NKCKZCVZDVRNMO-KURKYZTESA-N 2 0 354.454 0.848 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088063 1257911862 /nfs/dbraw/zinc/91/18/62/1257911862.db2.gz OHOWREUGESYNEL-LZQZEXGQSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001331113409 1266149247 /nfs/dbraw/zinc/14/92/47/1266149247.db2.gz SPLGGDHZGGRHCA-KZNAEPCWSA-N 2 0 358.486 0.806 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331135190 1266154320 /nfs/dbraw/zinc/15/43/20/1266154320.db2.gz WJALEVAWQKGVEE-OKZBNKHCSA-N 2 0 370.497 0.976 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001084349602 1258042492 /nfs/dbraw/zinc/04/24/92/1258042492.db2.gz SMEBWBMQYUYJDG-GUDVDZBRSA-N 2 0 370.497 0.760 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001331151296 1266159205 /nfs/dbraw/zinc/15/92/05/1266159205.db2.gz WKEPFXGSULIXOX-WKILWMFISA-N 2 0 368.522 0.626 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001521663519 1266160558 /nfs/dbraw/zinc/16/05/58/1266160558.db2.gz IEXRSHWBHVDFFM-ZVZYQTTQSA-N 2 0 350.507 0.951 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001331164745 1266161653 /nfs/dbraw/zinc/16/16/53/1266161653.db2.gz KBCMOOJRVLGGIK-JZXOWHBKSA-N 2 0 360.502 0.842 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484253 1258128735 /nfs/dbraw/zinc/12/87/35/1258128735.db2.gz LNRNRLDSSHZDHX-IXDOHACOSA-N 2 0 370.501 0.927 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001084630684 1258210218 /nfs/dbraw/zinc/21/02/18/1258210218.db2.gz QFPVDEGTDAAQOC-BRWVUGGUSA-N 2 0 358.490 0.640 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001084661026 1258224130 /nfs/dbraw/zinc/22/41/30/1258224130.db2.gz CPWMLQUYBBOYLM-ZTFGCOKTSA-N 2 0 360.506 0.912 20 0 FCADRP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084778233 1258320449 /nfs/dbraw/zinc/32/04/49/1258320449.db2.gz MOLSIJAPUGIIPN-HZPDHXFCSA-N 2 0 359.474 0.939 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033099 1258534533 /nfs/dbraw/zinc/53/45/33/1258534533.db2.gz QJBJCBALPZWXKI-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnnn1C ZINC001087166114 1258635372 /nfs/dbraw/zinc/63/53/72/1258635372.db2.gz ZPFHLMAQWFWLDQ-OWCLPIDISA-N 2 0 363.510 0.800 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088164180 1258678839 /nfs/dbraw/zinc/67/88/39/1258678839.db2.gz YYCPRFGENLYUJT-MSOLQXFVSA-N 2 0 362.518 0.635 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170361 1258691095 /nfs/dbraw/zinc/69/10/95/1258691095.db2.gz OURVPTBRUFRHDR-ZACQAIPSSA-N 2 0 363.506 0.134 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088201139 1258724619 /nfs/dbraw/zinc/72/46/19/1258724619.db2.gz MWHWVZYNQIHJHI-KURKYZTESA-N 2 0 362.518 0.779 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211712 1258735282 /nfs/dbraw/zinc/73/52/82/1258735282.db2.gz WDEQOUVNEBOCFM-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734656 1258822115 /nfs/dbraw/zinc/82/21/15/1258822115.db2.gz DIBVBNDGTUQJFS-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001092757403 1258829180 /nfs/dbraw/zinc/82/91/80/1258829180.db2.gz ZNZWJEDIFDSDHS-SUYBPPKGSA-N 2 0 355.442 0.829 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331432603 1266215506 /nfs/dbraw/zinc/21/55/06/1266215506.db2.gz SCQFLIXMNQCMLJ-ZWKOTPCHSA-N 2 0 367.538 0.553 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001331454121 1266218384 /nfs/dbraw/zinc/21/83/84/1266218384.db2.gz RVYJJSFQSQEOBW-PKOBYXMFSA-N 2 0 365.522 0.178 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343367 1258908202 /nfs/dbraw/zinc/90/82/02/1258908202.db2.gz CJHCDZHTHMCIBH-XSCHDIRWSA-N 2 0 367.494 0.047 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637440 1258920412 /nfs/dbraw/zinc/92/04/12/1258920412.db2.gz PQQIUYAQJZKLTD-JYBIWHBTSA-N 2 0 367.534 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106621344 1258929390 /nfs/dbraw/zinc/92/93/90/1258929390.db2.gz GOQCPKINIKQGOD-GDBMZVCRSA-N 2 0 364.490 0.161 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623202 1258929590 /nfs/dbraw/zinc/92/95/90/1258929590.db2.gz MACJDRMJJDEYQV-IUODEOHRSA-N 2 0 364.494 0.601 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)[NH+]1CCCC1 ZINC001106680683 1258940389 /nfs/dbraw/zinc/94/03/89/1258940389.db2.gz CKGQWNFPKIXPQX-KZNAEPCWSA-N 2 0 371.522 0.180 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779564 1258961684 /nfs/dbraw/zinc/96/16/84/1258961684.db2.gz RWCQDZHCACXQAK-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106785076 1258964026 /nfs/dbraw/zinc/96/40/26/1258964026.db2.gz WGSMFKUTLGYHST-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106785083 1258964038 /nfs/dbraw/zinc/96/40/38/1258964038.db2.gz WIMJHMOAOOURFY-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106906101 1258993535 /nfs/dbraw/zinc/99/35/35/1258993535.db2.gz XDBQHYNITDNIND-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001106909367 1258994295 /nfs/dbraw/zinc/99/42/95/1258994295.db2.gz GWXSPAJACIYJRL-HUUCEWRRSA-N 2 0 365.526 0.954 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106910400 1258994376 /nfs/dbraw/zinc/99/43/76/1258994376.db2.gz WIUKEZDAQIGGMF-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106983123 1259010375 /nfs/dbraw/zinc/01/03/75/1259010375.db2.gz URAIEESTEMAZLZ-KZNAEPCWSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106980895 1259010915 /nfs/dbraw/zinc/01/09/15/1259010915.db2.gz DCLQULWMOMIGAG-OWCLPIDISA-N 2 0 362.474 0.532 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984578 1259011595 /nfs/dbraw/zinc/01/15/95/1259011595.db2.gz UQDNAMOYKWPACQ-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001107031172 1259021207 /nfs/dbraw/zinc/02/12/07/1259021207.db2.gz LDJNXXXGONRNGY-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001107039216 1259022231 /nfs/dbraw/zinc/02/22/31/1259022231.db2.gz NCTKNMHCFXUJKL-ZACQAIPSSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H](COCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107552060 1259114715 /nfs/dbraw/zinc/11/47/15/1259114715.db2.gz BYNURCQVWGQKDQ-FRQCXROJSA-N 2 0 366.506 0.333 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107609104 1259131744 /nfs/dbraw/zinc/13/17/44/1259131744.db2.gz CSXZKMXZVFVMJL-IEBWSBKVSA-N 2 0 363.506 0.859 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049026 1259298666 /nfs/dbraw/zinc/29/86/66/1259298666.db2.gz OTXGZWUKWCTJDZ-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129088745 1259308535 /nfs/dbraw/zinc/30/85/35/1259308535.db2.gz BDBCTLBZEMKNNH-CVEARBPZSA-N 2 0 366.510 0.777 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204259 1259344470 /nfs/dbraw/zinc/34/44/70/1259344470.db2.gz BRPULPNFBGGJOP-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210314 1259345557 /nfs/dbraw/zinc/34/55/57/1259345557.db2.gz QNBQDNJJFQXMLP-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249370 1259375032 /nfs/dbraw/zinc/37/50/32/1259375032.db2.gz ZWSCCNNQVNUYDY-ILXRZTDVSA-N 2 0 364.494 0.491 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130251124 1259375700 /nfs/dbraw/zinc/37/57/00/1259375700.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 2 0 370.473 0.584 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN(C)C[C@H](O)CO)c1C ZINC001141568093 1259379701 /nfs/dbraw/zinc/37/97/01/1259379701.db2.gz OANUDBIPOUJNKE-HNNXBMFYSA-N 2 0 354.495 0.488 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCOCC3)CC2)CC[N@@H+]1C ZINC001200637480 1259418766 /nfs/dbraw/zinc/41/87/66/1259418766.db2.gz UVKVOGZGWCENHM-RHSMWYFYSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001200652060 1259419359 /nfs/dbraw/zinc/41/93/59/1259419359.db2.gz YHKAFQBOSZKOQZ-AEGPPILISA-N 2 0 367.494 0.141 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001212295221 1259454814 /nfs/dbraw/zinc/45/48/14/1259454814.db2.gz BRRUFKRKXURQCX-USXIJHARSA-N 2 0 367.494 0.035 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403237 1259489943 /nfs/dbraw/zinc/48/99/43/1259489943.db2.gz GKASRLIDFZXFLK-RCCFBDPRSA-N 2 0 371.522 0.728 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407754 1259493982 /nfs/dbraw/zinc/49/39/82/1259493982.db2.gz DYLCTROAHCOHDN-ARFHVFGLSA-N 2 0 366.506 0.202 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495626 1259525860 /nfs/dbraw/zinc/52/58/60/1259525860.db2.gz LBTMREKFOIHZII-CGTJXYLNSA-N 2 0 362.474 0.760 20 0 FCADRP c1cc(CN2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199941 1259569181 /nfs/dbraw/zinc/56/91/81/1259569181.db2.gz JWJPOHMXTHGAKA-HXUWFJFHSA-N 2 0 360.502 0.677 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235330519 1259570978 /nfs/dbraw/zinc/57/09/78/1259570978.db2.gz PQERCJNNKYNCHA-YTQUADARSA-N 2 0 358.486 0.822 20 0 FCADRP CCOC(=O)[C@]12C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]1C[NH2+]CC2 ZINC001236039534 1259587931 /nfs/dbraw/zinc/58/79/31/1259587931.db2.gz XSPPHFGZTCHSBX-CRAIPNDOSA-N 2 0 356.430 0.841 20 0 FCADRP COc1cc(-c2ccc[nH]2)[nH]c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312676 1259589360 /nfs/dbraw/zinc/58/93/60/1259589360.db2.gz ZBERNDWUXKTIEM-UHFFFAOYSA-N 2 0 362.478 0.634 20 0 FCADRP COC(=O)[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC[C@@H]1[NH3+] ZINC001236412421 1259590722 /nfs/dbraw/zinc/59/07/22/1259590722.db2.gz UOJDDQGEYXWTAP-HOTGVXAUSA-N 2 0 372.473 0.519 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001237060809 1259594895 /nfs/dbraw/zinc/59/48/95/1259594895.db2.gz JWXLZVIMKIWRCU-CTNGQTDRSA-N 2 0 372.513 0.819 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335367521 1259627111 /nfs/dbraw/zinc/62/71/11/1259627111.db2.gz NGUZTKLJPLCUCL-QAPCUYQASA-N 2 0 364.490 0.610 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3ncc4c(n3)C[NH2+]CC4)cc2)CC1 ZINC001242093863 1259633618 /nfs/dbraw/zinc/63/36/18/1259633618.db2.gz GMIBLRLCYPLHKY-UHFFFAOYSA-N 2 0 352.442 0.682 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245979574 1259641792 /nfs/dbraw/zinc/64/17/92/1259641792.db2.gz VUWOEIRAUURMPF-ZWQIFLOQSA-N 3 0 369.456 0.944 20 0 FCADRP OCCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001245986707 1259643011 /nfs/dbraw/zinc/64/30/11/1259643011.db2.gz PYHFQHSXJBIDPK-ZWKOTPCHSA-N 2 0 363.502 0.425 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001246005835 1259643521 /nfs/dbraw/zinc/64/35/21/1259643521.db2.gz POGQXHBJSWYPDG-CEXWTWQISA-N 3 0 368.472 0.611 20 0 FCADRP COC(=O)[C@H](NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC001246007658 1259644206 /nfs/dbraw/zinc/64/42/06/1259644206.db2.gz YSYAJKYFQYQAOH-GVDBMIGSSA-N 2 0 371.428 0.326 20 0 FCADRP COC(=O)[C@@H](N)[C@@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052920 1259646885 /nfs/dbraw/zinc/64/68/85/1259646885.db2.gz MKMSRHNVUWFSBC-ZFVVBOAOSA-N 2 0 371.428 0.408 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C3CCN(C4CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246142522 1259647814 /nfs/dbraw/zinc/64/78/14/1259647814.db2.gz SCJQDMXQXTYYMU-JGAFYBCUSA-N 2 0 364.534 0.865 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246200678 1259650196 /nfs/dbraw/zinc/65/01/96/1259650196.db2.gz CDGIZRABMPVXQP-UHFFFAOYSA-N 3 0 373.538 0.666 20 0 FCADRP COc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246353842 1259652879 /nfs/dbraw/zinc/65/28/79/1259652879.db2.gz UYDBOVAUHQFJHL-INIZCTEOSA-N 2 0 358.486 0.983 20 0 FCADRP NC1(C(=O)NCc2ccccc2)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246380448 1259653084 /nfs/dbraw/zinc/65/30/84/1259653084.db2.gz VRCYLYYLHZJUTQ-QGZVFWFLSA-N 2 0 357.502 0.190 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566129 1259656977 /nfs/dbraw/zinc/65/69/77/1259656977.db2.gz FWFGBAMBHOJNDG-HZSPNIEDSA-N 2 0 362.478 0.272 20 0 FCADRP O=C(CN1CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1)OCc1ccccc1 ZINC001246635268 1259658323 /nfs/dbraw/zinc/65/83/23/1259658323.db2.gz JVSHIFZBKYVYER-NRFANRHFSA-N 2 0 372.513 0.832 20 0 FCADRP CCOC(=O)C1CCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246680942 1259658591 /nfs/dbraw/zinc/65/85/91/1259658591.db2.gz XRGMLQJYUCOHHW-SFHVURJKSA-N 2 0 364.534 0.820 20 0 FCADRP O=C(Nc1cnccn1)[C@@H]1COC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246691442 1259661510 /nfs/dbraw/zinc/66/15/10/1259661510.db2.gz XHWSWRZOFHKREN-MZJLOALESA-N 2 0 357.458 0.893 20 0 FCADRP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C1CC[NH2+]CC1)CCC2 ZINC001246703165 1259664118 /nfs/dbraw/zinc/66/41/18/1259664118.db2.gz QTOAREVNXRYRSO-JXFKEZNVSA-N 2 0 372.517 0.835 20 0 FCADRP O=C1N(Cc2ccccn2)CCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246705936 1259664372 /nfs/dbraw/zinc/66/43/72/1259664372.db2.gz TXTAPKOEULOSTR-GOSISDBHSA-N 2 0 369.513 0.990 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCC1 ZINC001246710680 1259665247 /nfs/dbraw/zinc/66/52/47/1259665247.db2.gz PJDCJBVIHFTJOO-BDXSIMOUSA-N 2 0 362.518 0.287 20 0 FCADRP Cc1cccc(CO[C@@H]2C[C@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)n1 ZINC001246709223 1259665299 /nfs/dbraw/zinc/66/52/99/1259665299.db2.gz QWQWXXLMCJTQPG-HSALFYBXSA-N 2 0 371.529 0.759 20 0 FCADRP Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719433 1259668045 /nfs/dbraw/zinc/66/80/45/1259668045.db2.gz GCZDXTIXXPCPSR-DNVCBOLYSA-N 2 0 372.517 0.419 20 0 FCADRP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246733385 1259672231 /nfs/dbraw/zinc/67/22/31/1259672231.db2.gz FMTABAGZAQFTHO-IAGOWNOFSA-N 2 0 357.502 0.893 20 0 FCADRP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246733387 1259673513 /nfs/dbraw/zinc/67/35/13/1259673513.db2.gz FMTABAGZAQFTHO-SJORKVTESA-N 2 0 357.502 0.893 20 0 FCADRP O=C(C[C@H]1OC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NCC1CC1 ZINC001246738533 1259674399 /nfs/dbraw/zinc/67/43/99/1259674399.db2.gz MOFLDYLDGVOKNI-XMTFNYHQSA-N 2 0 362.518 0.334 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NCC1CC1 ZINC001246738788 1259674539 /nfs/dbraw/zinc/67/45/39/1259674539.db2.gz GNAOHJLPYBTWQJ-BDXSIMOUSA-N 2 0 362.518 0.191 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740574 1259674588 /nfs/dbraw/zinc/67/45/88/1259674588.db2.gz MTPOFOZSARAIMT-XEIOYGOASA-N 2 0 359.474 0.684 20 0 FCADRP O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246747358 1259676817 /nfs/dbraw/zinc/67/68/17/1259676817.db2.gz WACMDBOSIJVQML-RDJZCZTQSA-N 2 0 362.518 0.620 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246746592 1259677858 /nfs/dbraw/zinc/67/78/58/1259677858.db2.gz KWTIKCCEDOHEDU-SFHVURJKSA-N 3 0 363.550 0.345 20 0 FCADRP Cc1cccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@@H]3C2=O)c1 ZINC001246750575 1259679260 /nfs/dbraw/zinc/67/92/60/1259679260.db2.gz ZCYAZHHRDAKLNO-OTWHNJEPSA-N 2 0 354.498 0.979 20 0 FCADRP Cn1cc(N2CC[C@]3(CCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768949 1259685732 /nfs/dbraw/zinc/68/57/32/1259685732.db2.gz CZPHAYVDRMAGDZ-QAPCUYQASA-N 2 0 358.490 0.333 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]21)N1CCCC1 ZINC001246785890 1259688918 /nfs/dbraw/zinc/68/89/18/1259688918.db2.gz AYAOKEFOGBIJRG-XDNAFOTISA-N 2 0 362.518 0.430 20 0 FCADRP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815474 1259690989 /nfs/dbraw/zinc/69/09/89/1259690989.db2.gz ZDCGQFVFNSUQLJ-HSALFYBXSA-N 3 0 371.529 0.698 20 0 FCADRP O=C1C[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CCN1Cc1ccccc1 ZINC001246819712 1259691408 /nfs/dbraw/zinc/69/14/08/1259691408.db2.gz HZJRIDIWROBIDI-IBGZPJMESA-N 2 0 359.518 0.262 20 0 FCADRP COc1ccc([C@H]2C[C@@H](N3CC[NH2+]CCNCC[NH2+]CC3)CCO2)cc1 ZINC001246819540 1259691660 /nfs/dbraw/zinc/69/16/60/1259691660.db2.gz GUCFTJGCYBDZPJ-AZUAARDMSA-N 2 0 362.518 1.000 20 0 FCADRP O=C1NCN(c2ccc(F)cc2)C12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246875677 1259692786 /nfs/dbraw/zinc/69/27/86/1259692786.db2.gz IVROJDNGPNBUEJ-QGZVFWFLSA-N 2 0 373.476 0.648 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246857981 1259692808 /nfs/dbraw/zinc/69/28/08/1259692808.db2.gz KDRFXIAMHYUFCC-TVRAHDOYSA-N 2 0 365.474 0.001 20 0 FCADRP COc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246946777 1259697202 /nfs/dbraw/zinc/69/72/02/1259697202.db2.gz PFGYSEROHHTZRE-MRXNPFEDSA-N 2 0 358.486 0.983 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4CC[NH2+]C[C@H]4O)n3)c2)CC1 ZINC001247760967 1259705471 /nfs/dbraw/zinc/70/54/71/1259705471.db2.gz YGCIFFUBORYPCT-IAGOWNOFSA-N 2 0 357.458 0.922 20 0 FCADRP c1cc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)ccc1CN1CCOCC1 ZINC001247852923 1259707576 /nfs/dbraw/zinc/70/75/76/1259707576.db2.gz YGUZIPPUTIFUNR-UHFFFAOYSA-N 2 0 355.442 0.629 20 0 FCADRP C[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001249070168 1259720674 /nfs/dbraw/zinc/72/06/74/1259720674.db2.gz IPTDYNYDKCPQRC-ZDUSSCGKSA-N 2 0 358.446 0.447 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251302939 1259743196 /nfs/dbraw/zinc/74/31/96/1259743196.db2.gz GKJZMBNYTBKNBB-IBGZPJMESA-N 2 0 370.538 0.928 20 0 FCADRP CCOC[C@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001252041931 1259776448 /nfs/dbraw/zinc/77/64/48/1259776448.db2.gz WINPGVJODJFAJD-QZTJIDSGSA-N 2 0 363.502 0.788 20 0 FCADRP CCCCOC[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252507760 1259793884 /nfs/dbraw/zinc/79/38/84/1259793884.db2.gz QTWILPZISOTKFU-GOSISDBHSA-N 2 0 365.518 0.988 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253185984 1259828423 /nfs/dbraw/zinc/82/84/23/1259828423.db2.gz WDUSKIFITCIXJY-XMTFNYHQSA-N 2 0 369.506 0.438 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001335841662 1259864987 /nfs/dbraw/zinc/86/49/87/1259864987.db2.gz FAFXDVHQFIIWGE-KBXCAEBGSA-N 2 0 372.469 0.798 20 0 FCADRP COc1cccc(OC[C@@H](O)C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001253958063 1259867086 /nfs/dbraw/zinc/86/70/86/1259867086.db2.gz KUJHRYXQIYMDTL-INIZCTEOSA-N 2 0 365.474 0.531 20 0 FCADRP CCOC(=O)C(Cc1cn(CCCC[NH2+]CCC[NH3+])nn1)C(=O)OCC ZINC001254164638 1259875788 /nfs/dbraw/zinc/87/57/88/1259875788.db2.gz QDUGFTDMRNSUMF-UHFFFAOYSA-N 2 0 369.466 0.282 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001331821381 1266292125 /nfs/dbraw/zinc/29/21/25/1266292125.db2.gz MYZISDNXGVWEEQ-OALUTQOASA-N 2 0 360.502 0.817 20 0 FCADRP C[NH+]1CCN(CC[NH2+]C2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255048876 1259903670 /nfs/dbraw/zinc/90/36/70/1259903670.db2.gz LWNILRYDJKVVSO-ALOPSCKCSA-N 2 0 368.522 0.990 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)ccn2)CC1 ZINC001331848352 1266294855 /nfs/dbraw/zinc/29/48/55/1266294855.db2.gz BGUAENFWCOZARV-LPHOPBHVSA-N 2 0 358.490 0.917 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001335969227 1259924132 /nfs/dbraw/zinc/92/41/32/1259924132.db2.gz QXGNQGGUSLJLAX-DLBZAZTESA-N 2 0 358.490 0.584 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335987023 1259932054 /nfs/dbraw/zinc/93/20/54/1259932054.db2.gz RKNLYVIZDWRZCZ-CRIYYSNOSA-N 2 0 351.495 0.498 20 0 FCADRP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256693876 1259957005 /nfs/dbraw/zinc/95/70/05/1259957005.db2.gz RDDPOTGDSHSASH-FAFZWHIHSA-N 2 0 364.490 0.053 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001257150190 1259999260 /nfs/dbraw/zinc/99/92/60/1259999260.db2.gz JQBSKWNLGDTLSO-WBVHZDCISA-N 2 0 366.506 0.035 20 0 FCADRP COC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC001257568893 1260021344 /nfs/dbraw/zinc/02/13/44/1260021344.db2.gz JZOYBXGKAQPNGS-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738629 1260027794 /nfs/dbraw/zinc/02/77/94/1260027794.db2.gz BGYIWZQHWPQAHG-MZBWOGCUSA-N 2 0 368.474 0.770 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192810 1260034389 /nfs/dbraw/zinc/03/43/89/1260034389.db2.gz IVZQCYVPEPFXSM-ILXRZTDVSA-N 2 0 352.479 0.653 20 0 FCADRP Nc1nc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cs1 ZINC001336271603 1260063559 /nfs/dbraw/zinc/06/35/59/1260063559.db2.gz KNRAPTORSXKLOV-OKILXGFUSA-N 2 0 350.492 0.836 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273841 1260063805 /nfs/dbraw/zinc/06/38/05/1260063805.db2.gz VFPKWXWNOBKXEE-HZPDHXFCSA-N 2 0 351.495 0.467 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC001261384473 1260130497 /nfs/dbraw/zinc/13/04/97/1260130497.db2.gz QGCUQATUUSKJOR-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC001331973666 1266311135 /nfs/dbraw/zinc/31/11/35/1266311135.db2.gz QQWHSJOQMVVDMR-USTZCAOPSA-N 2 0 364.534 0.929 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001261503117 1260151561 /nfs/dbraw/zinc/15/15/61/1260151561.db2.gz MJVABPKNRPRJOC-UHFFFAOYSA-N 3 0 365.566 0.546 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001336644176 1260191332 /nfs/dbraw/zinc/19/13/32/1260191332.db2.gz GDJMWRVBDUGIPD-MRXNPFEDSA-N 2 0 373.501 0.252 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001261874700 1260205644 /nfs/dbraw/zinc/20/56/44/1260205644.db2.gz HOOFLDQKWXHGGA-LSDHHAIUSA-N 2 0 359.474 0.633 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891848 1260208096 /nfs/dbraw/zinc/20/80/96/1260208096.db2.gz REARYCMCYOWVPV-STQMWFEESA-N 2 0 358.442 0.421 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001336755361 1260214425 /nfs/dbraw/zinc/21/44/25/1260214425.db2.gz IBLBQBSXHHRMKZ-YJBOKZPZSA-N 2 0 358.527 0.878 20 0 FCADRP COC[C@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCCC[NH2+]1 ZINC001332010861 1266316065 /nfs/dbraw/zinc/31/60/65/1266316065.db2.gz FJGAQPIOKRXMMH-SFHVURJKSA-N 2 0 366.506 0.478 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336857380 1260239001 /nfs/dbraw/zinc/23/90/01/1260239001.db2.gz CVAVIBAGOAGJSO-TWMKSMIVSA-N 2 0 363.506 0.511 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1(C)C ZINC001262010196 1260245472 /nfs/dbraw/zinc/24/54/72/1260245472.db2.gz XOINGYNGYIEVRO-KHYOSLBOSA-N 2 0 366.506 0.330 20 0 FCADRP CONC(=O)C1CC[NH+](C/C=C\C[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001262020464 1260246141 /nfs/dbraw/zinc/24/61/41/1260246141.db2.gz AUCZFPXVJOZUTQ-ARJAWSKDSA-N 2 0 368.478 0.322 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC001332034190 1266319089 /nfs/dbraw/zinc/31/90/89/1266319089.db2.gz COCOTMMQCRUPCM-SJLPKXTDSA-N 2 0 374.485 0.578 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001336949476 1260265210 /nfs/dbraw/zinc/26/52/10/1260265210.db2.gz ACGSBTIIHHVGHP-IJEWVQPXSA-N 2 0 361.494 0.316 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001262198232 1260276076 /nfs/dbraw/zinc/27/60/76/1260276076.db2.gz IQDBMWIROUUAIZ-SFHVURJKSA-N 2 0 358.486 0.823 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001336989606 1260277725 /nfs/dbraw/zinc/27/77/25/1260277725.db2.gz HPDOQJHWOXLERM-MRXNPFEDSA-N 2 0 365.522 0.572 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756093 1260355329 /nfs/dbraw/zinc/35/53/29/1260355329.db2.gz FDFRRJNQXBCTKO-UZLBHIALSA-N 2 0 372.513 0.648 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332076155 1266331093 /nfs/dbraw/zinc/33/10/93/1266331093.db2.gz BQBVBFCSODXJJF-RTBURBONSA-N 2 0 360.502 0.469 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001272825143 1260512065 /nfs/dbraw/zinc/51/20/65/1260512065.db2.gz OBKUEUURTQHIIJ-XLAORIBOSA-N 2 0 360.502 0.767 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C2)C1=O ZINC001273055736 1260581966 /nfs/dbraw/zinc/58/19/66/1260581966.db2.gz LETDZQSWPLLALE-PXNSSMCTSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(CC[NH+]1CCCC1)N1[C@@H]2C[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001273119806 1260595212 /nfs/dbraw/zinc/59/52/12/1260595212.db2.gz AZTXWPHVIUTAGN-FGTMMUONSA-N 2 0 360.502 0.768 20 0 FCADRP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001278488887 1260700221 /nfs/dbraw/zinc/70/02/21/1260700221.db2.gz XGPMTQAVMFGYTI-IAGOWNOFSA-N 2 0 354.458 0.950 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@H]2C1 ZINC001278508683 1260702746 /nfs/dbraw/zinc/70/27/46/1260702746.db2.gz YVEVMIMREHDKGS-HOTGVXAUSA-N 2 0 360.458 0.380 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC001332217728 1266359796 /nfs/dbraw/zinc/35/97/96/1266359796.db2.gz SXMJHWQTXZWHKM-RDJZCZTQSA-N 2 0 362.474 0.625 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@@H]2C1 ZINC001279177318 1260798738 /nfs/dbraw/zinc/79/87/38/1260798738.db2.gz PHWZDEDUCVMHBE-HZPDHXFCSA-N 2 0 359.474 0.115 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332239414 1266364329 /nfs/dbraw/zinc/36/43/29/1266364329.db2.gz VJUBSTLGJDKKOZ-ZDUSSCGKSA-N 2 0 372.469 0.798 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2CCCN1C(=O)c2ccccc2C1=O ZINC001279462787 1260873707 /nfs/dbraw/zinc/87/37/07/1260873707.db2.gz QXDLMPPGLPXREN-IYBDPMFKSA-N 2 0 356.470 0.993 20 0 FCADRP O=C1NC2(CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279468601 1260874598 /nfs/dbraw/zinc/87/45/98/1260874598.db2.gz WTTCYPNBUKWHAC-BRWVUGGUSA-N 2 0 359.474 0.601 20 0 FCADRP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825941 1260938794 /nfs/dbraw/zinc/93/87/94/1260938794.db2.gz IBRDXCNQKVEZOI-LQKXBSAESA-N 2 0 360.462 0.726 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](CC2CCOCC2)C3)CC1 ZINC001279892748 1260953771 /nfs/dbraw/zinc/95/37/71/1260953771.db2.gz ULXOPJAEKKYTJK-GOSISDBHSA-N 2 0 365.518 0.962 20 0 FCADRP COC(=O)[C@H](C)C[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001280025755 1260980508 /nfs/dbraw/zinc/98/05/08/1260980508.db2.gz SHOCJYKICXURRE-NLNFPOJYSA-N 2 0 363.462 0.705 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280081402 1260994147 /nfs/dbraw/zinc/99/41/47/1260994147.db2.gz RCAWOKOVFISVPU-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP COCOCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280088757 1260994705 /nfs/dbraw/zinc/99/47/05/1260994705.db2.gz IMQROMNXAIAQDI-MRXNPFEDSA-N 2 0 365.478 0.716 20 0 FCADRP C[NH+]1CCC(CN2CC3(C2)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)O3)CC1 ZINC001280126759 1261011874 /nfs/dbraw/zinc/01/18/74/1261011874.db2.gz ZLEZGRXEUIBSMK-SFHVURJKSA-N 2 0 364.534 0.772 20 0 FCADRP O=C([C@@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1)N1CC(N2CC(F)C2)C1 ZINC001280135193 1261013328 /nfs/dbraw/zinc/01/33/28/1261013328.db2.gz JTUWETFIKQNPAG-KRWDZBQOSA-N 2 0 366.481 0.084 20 0 FCADRP O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC1CC[NH2+]CC1)N1CCn2cnnc2C1 ZINC001280135873 1261013744 /nfs/dbraw/zinc/01/37/44/1261013744.db2.gz RCVQLCYGNPARSD-MXSMSXNCSA-N 2 0 358.490 0.624 20 0 FCADRP CC(=O)NCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280169394 1261019981 /nfs/dbraw/zinc/01/99/81/1261019981.db2.gz CFQQDXUVLFHRBX-GOSISDBHSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCN1C[C@H]2CCCO[C@H]2[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280218385 1261038155 /nfs/dbraw/zinc/03/81/55/1261038155.db2.gz HZAOSROAMMHBEW-NZSAHSFTSA-N 2 0 366.550 0.828 20 0 FCADRP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280221226 1261038552 /nfs/dbraw/zinc/03/85/52/1261038552.db2.gz POXKXSMIKCGTRE-IAGOWNOFSA-N 2 0 360.506 0.374 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)NCc4c[nH]cn4)=NO[C@@H]3C2)CC1 ZINC001280250849 1261042068 /nfs/dbraw/zinc/04/20/68/1261042068.db2.gz RUZLWMYHCPEWDI-JKSUJKDBSA-N 2 0 360.462 0.444 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H]3C[N@H+](CCC4CC4)C[C@H]23)cn1 ZINC001280274694 1261045164 /nfs/dbraw/zinc/04/51/64/1261045164.db2.gz VWKZTANBXATDGL-JKSUJKDBSA-N 2 0 360.462 0.870 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001281629946 1261128716 /nfs/dbraw/zinc/12/87/16/1261128716.db2.gz RERXCFPDOBYLAB-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001281684447 1261148469 /nfs/dbraw/zinc/14/84/69/1261148469.db2.gz PBOMWJNSOHEJEJ-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852370 1261234784 /nfs/dbraw/zinc/23/47/84/1261234784.db2.gz YAQIMDJIKWZLKP-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472504470 1261472063 /nfs/dbraw/zinc/47/20/63/1261472063.db2.gz DSHQAVNDDUKTGA-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC001473924801 1261504794 /nfs/dbraw/zinc/50/47/94/1261504794.db2.gz KZVLVSCPMJBOKQ-UHFFFAOYSA-N 2 0 364.538 0.681 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001332499391 1266417868 /nfs/dbraw/zinc/41/78/68/1266417868.db2.gz JNMNJDQXCZHZAB-UHFFFAOYSA-N 2 0 369.473 0.992 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001332519674 1266422192 /nfs/dbraw/zinc/42/21/92/1266422192.db2.gz HRNPWUFUFTZBQQ-IAGOWNOFSA-N 2 0 362.526 0.374 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(O)c3)C2)CC1 ZINC001345288097 1261666812 /nfs/dbraw/zinc/66/68/12/1261666812.db2.gz APYGVLVOFUXOCW-OAHLLOKOSA-N 2 0 360.458 0.293 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001580290313 1278096129 /nfs/dbraw/zinc/09/61/29/1278096129.db2.gz FUXALLYCTMDKJH-STQMWFEESA-N 2 0 358.450 0.475 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C(=O)[C@@H]([NH3+])COC ZINC001345349163 1261680987 /nfs/dbraw/zinc/68/09/87/1261680987.db2.gz SNPHDGABSLQNCA-IKGGRYGDSA-N 2 0 363.458 0.530 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321092 1278122379 /nfs/dbraw/zinc/12/23/79/1278122379.db2.gz UFXUWDKPPWOCJW-IOASZLSFSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580324156 1278125433 /nfs/dbraw/zinc/12/54/33/1278125433.db2.gz CTAOKYCWUWJKMY-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001289699338 1262314345 /nfs/dbraw/zinc/31/43/45/1262314345.db2.gz MGHRJTHXBRMLIC-ZACQAIPSSA-N 2 0 368.522 0.281 20 0 FCADRP O=C(N1CC([NH2+]C2CCOCC2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001303646502 1263110900 /nfs/dbraw/zinc/11/09/00/1263110900.db2.gz OPGDJZPTYKIYEP-NRFANRHFSA-N 2 0 373.497 0.993 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001312013342 1263270907 /nfs/dbraw/zinc/27/09/07/1263270907.db2.gz RCVRURQXNJWFBA-QZTJIDSGSA-N 2 0 368.522 0.776 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001479672597 1263336070 /nfs/dbraw/zinc/33/60/70/1263336070.db2.gz MALAIAUUYPQOLN-SJORKVTESA-N 2 0 365.522 0.524 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)CCC1 ZINC001316753887 1263457903 /nfs/dbraw/zinc/45/79/03/1263457903.db2.gz GELPFXHUUMDSPQ-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC001580387877 1278208189 /nfs/dbraw/zinc/20/81/89/1278208189.db2.gz GMKOFSXEGKEZTE-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP CN(CCN1CC[NH+](CCCF)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001494103371 1263754516 /nfs/dbraw/zinc/75/45/16/1263754516.db2.gz YNBLZQWPZXAOPI-HZPDHXFCSA-N 2 0 351.470 0.959 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)CC1 ZINC001321082128 1263904214 /nfs/dbraw/zinc/90/42/14/1263904214.db2.gz YAXSXHFBLLMWCZ-ZBFHGGJFSA-N 2 0 374.489 0.831 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(O)ccc2Cl)CC[N@@H+]1C ZINC001496980019 1263907639 /nfs/dbraw/zinc/90/76/39/1263907639.db2.gz YSWBXDNNEZIPJX-KCPJHIHWSA-N 2 0 355.866 0.953 20 0 FCADRP CCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001499099581 1264003657 /nfs/dbraw/zinc/00/36/57/1264003657.db2.gz FFORTOYATTYTRK-GOSISDBHSA-N 2 0 350.511 0.828 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499230594 1264016030 /nfs/dbraw/zinc/01/60/30/1264016030.db2.gz ADIXZNJXCOHUMH-ZIAGYGMSSA-N 2 0 352.504 0.797 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001322827155 1264277010 /nfs/dbraw/zinc/27/70/10/1264277010.db2.gz SFMWDBANYUWJBK-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994829 1264311215 /nfs/dbraw/zinc/31/12/15/1264311215.db2.gz VVEQKPSXTKKLKP-AWEZNQCLSA-N 2 0 363.437 0.122 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC001323850390 1264528483 /nfs/dbraw/zinc/52/84/83/1264528483.db2.gz CHDCOGYMOPKLQU-HLLBOEOZSA-N 2 0 373.501 0.800 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001325083207 1264770483 /nfs/dbraw/zinc/77/04/83/1264770483.db2.gz KLYQXRKMNGQGFF-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001325307008 1264843324 /nfs/dbraw/zinc/84/33/24/1264843324.db2.gz JANALRYNZVBLMT-MSOLQXFVSA-N 2 0 360.502 0.686 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001580407226 1278244681 /nfs/dbraw/zinc/24/46/81/1278244681.db2.gz IUGVCSKNOKOJNA-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001326592680 1265138069 /nfs/dbraw/zinc/13/80/69/1265138069.db2.gz RESOMRAAYLZRTP-ULQDDVLXSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)CC1 ZINC001326627890 1265146126 /nfs/dbraw/zinc/14/61/26/1265146126.db2.gz SRGFCWDPADWGAQ-DZFIZOCASA-N 2 0 362.518 0.633 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC001326968119 1265209231 /nfs/dbraw/zinc/20/92/31/1265209231.db2.gz JUFBPFMVJSCKEJ-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001327318721 1265283978 /nfs/dbraw/zinc/28/39/78/1265283978.db2.gz KZWZOCLWJAKERR-HOTGVXAUSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001514093408 1265323754 /nfs/dbraw/zinc/32/37/54/1265323754.db2.gz KGTSLKJAFNVDQW-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001327613743 1265373694 /nfs/dbraw/zinc/37/36/94/1265373694.db2.gz OZBDWQMZWNOERU-IRXDYDNUSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001333311938 1266576346 /nfs/dbraw/zinc/57/63/46/1266576346.db2.gz WOTZICJMPHLXMQ-AWEZNQCLSA-N 2 0 355.446 0.949 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC001333422277 1266598164 /nfs/dbraw/zinc/59/81/64/1266598164.db2.gz IGZPWWUBJCNYSJ-MRXNPFEDSA-N 2 0 363.510 0.688 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCC1 ZINC001580418018 1278269775 /nfs/dbraw/zinc/26/97/75/1278269775.db2.gz WBFOGPMYFNUDAF-CYBMUJFWSA-N 2 0 358.450 0.476 20 0 FCADRP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC2(CCC2)C1 ZINC001333732346 1266694507 /nfs/dbraw/zinc/69/45/07/1266694507.db2.gz MLLMFAGWXGABSM-INIZCTEOSA-N 2 0 350.507 0.561 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC001333732552 1266695584 /nfs/dbraw/zinc/69/55/84/1266695584.db2.gz NUZIADULJJTOLQ-SFHVURJKSA-N 2 0 372.513 0.859 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCCC1 ZINC001333886076 1266739451 /nfs/dbraw/zinc/73/94/51/1266739451.db2.gz YQVDTEGZCASLOV-QGZVFWFLSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001526631197 1266823300 /nfs/dbraw/zinc/82/33/00/1266823300.db2.gz IGSAKFHELHOROZ-SQWLQELKSA-N 2 0 364.494 0.019 20 0 FCADRP CN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001334241554 1266906172 /nfs/dbraw/zinc/90/61/72/1266906172.db2.gz OEYLPLDTQJFDCQ-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnnn2CCCN2CCOCC2)C1 ZINC001334460442 1267013938 /nfs/dbraw/zinc/01/39/38/1267013938.db2.gz AKRBGGMAVQYNHC-INIZCTEOSA-N 2 0 351.499 0.564 20 0 FCADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C[C@@]1(O)CCOC1 ZINC001334658747 1267126228 /nfs/dbraw/zinc/12/62/28/1267126228.db2.gz AHMJJXFIIGXUQH-OALUTQOASA-N 2 0 356.507 0.713 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580448245 1278308681 /nfs/dbraw/zinc/30/86/81/1278308681.db2.gz LQEBHGOPMDQGIM-XDQVBPFNSA-N 2 0 370.461 0.473 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCCCN3Cc3cccnc3)C2)CC1 ZINC001334933598 1267235616 /nfs/dbraw/zinc/23/56/16/1267235616.db2.gz KAQNLGNENBHZFB-LJQANCHMSA-N 2 0 357.502 0.894 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@@H]1c1ccc(F)cc1 ZINC001549030565 1267792204 /nfs/dbraw/zinc/79/22/04/1267792204.db2.gz ZTMBXHBAOXWGGP-ARFHVFGLSA-N 2 0 358.421 0.909 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cnn1C ZINC001549045529 1267794865 /nfs/dbraw/zinc/79/48/65/1267794865.db2.gz COMGQNQKEYTPRJ-DRZSPHRISA-N 2 0 360.487 0.943 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@@H]([NH3+])[C@@H](n4ccnn4)C3)C2)cc1 ZINC001549756506 1267990642 /nfs/dbraw/zinc/99/06/42/1267990642.db2.gz SZYAJTMONUYUAI-KSZLIROESA-N 2 0 369.473 0.755 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998537 1268039564 /nfs/dbraw/zinc/03/95/64/1268039564.db2.gz AASJISQJNHIOHJ-CTNGQTDRSA-N 2 0 372.513 0.472 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704214 1268052588 /nfs/dbraw/zinc/05/25/88/1268052588.db2.gz MTHXPGADVIOLEP-PBHICJAKSA-N 2 0 350.463 0.409 20 0 FCADRP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001550064713 1268067876 /nfs/dbraw/zinc/06/78/76/1268067876.db2.gz ULFYADFQVLLXKB-DRMAHVMPSA-N 2 0 361.490 0.265 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c21 ZINC001550090035 1268071960 /nfs/dbraw/zinc/07/19/60/1268071960.db2.gz CGCXGPOUIABCNZ-HZPDHXFCSA-N 2 0 361.490 0.950 20 0 FCADRP Cc1c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001550090813 1268071969 /nfs/dbraw/zinc/07/19/69/1268071969.db2.gz UENDVKGMKOLUGA-HZPDHXFCSA-N 2 0 362.478 0.352 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCc2cccc3c2CC[NH2+]C3)cnn1C ZINC001550091509 1268072068 /nfs/dbraw/zinc/07/20/68/1268072068.db2.gz REHHQOMBQSWOGQ-OALUTQOASA-N 2 0 353.470 0.994 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cnnn3C3CC[NH2+]CC3)C[C@@H]2[NH3+])cc1 ZINC001550107880 1268074974 /nfs/dbraw/zinc/07/49/74/1268074974.db2.gz GIOULMYVNNZCSH-IRXDYDNUSA-N 2 0 370.457 0.778 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cnn1C ZINC001550113674 1268076301 /nfs/dbraw/zinc/07/63/01/1268076301.db2.gz YPADRLJVTVQDRA-PVAVHDDUSA-N 2 0 361.490 0.306 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001550117369 1268078951 /nfs/dbraw/zinc/07/89/51/1268078951.db2.gz ZCVHXLIIPCICRH-FUHWJXTLSA-N 2 0 355.486 0.886 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550162934 1268086057 /nfs/dbraw/zinc/08/60/57/1268086057.db2.gz BOXHLECQQOCVDP-ROUUACIJSA-N 2 0 352.523 0.628 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550162931 1268086099 /nfs/dbraw/zinc/08/60/99/1268086099.db2.gz BOXHLECQQOCVDP-MSOLQXFVSA-N 2 0 352.523 0.628 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001550199469 1268090868 /nfs/dbraw/zinc/09/08/68/1268090868.db2.gz BNRZENUSIZUTKT-IRXDYDNUSA-N 2 0 362.518 0.955 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)c1 ZINC001550208596 1268091203 /nfs/dbraw/zinc/09/12/03/1268091203.db2.gz JARAGZUDTSGAEL-NVXWUHKLSA-N 2 0 370.457 0.916 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC001550199441 1268091615 /nfs/dbraw/zinc/09/16/15/1268091615.db2.gz DWRGOCBDRTYZBM-RHSMWYFYSA-N 2 0 356.430 0.608 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)C[C@H]1C[NH+](C)C ZINC001550262209 1268097733 /nfs/dbraw/zinc/09/77/33/1268097733.db2.gz AQHUYCXYSIAPSP-YYIAUSFCSA-N 2 0 368.522 0.297 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476622 1268125083 /nfs/dbraw/zinc/12/50/83/1268125083.db2.gz ALGLFBORZGCHRT-KYJUOOMLSA-N 2 0 351.491 0.446 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001550484894 1268126974 /nfs/dbraw/zinc/12/69/74/1268126974.db2.gz MFHGDEAXETVDQY-CLWJZODNSA-N 2 0 367.534 0.941 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001338997082 1268142960 /nfs/dbraw/zinc/14/29/60/1268142960.db2.gz BQIVBCFBUMNYBE-SJORKVTESA-N 2 0 350.507 0.918 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]2[NH3+])c1 ZINC001550740417 1268158956 /nfs/dbraw/zinc/15/89/56/1268158956.db2.gz RABXOJGQFKVZPP-DLBZAZTESA-N 2 0 360.506 0.978 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]2[NH3+])c1 ZINC001550740420 1268159031 /nfs/dbraw/zinc/15/90/31/1268159031.db2.gz RABXOJGQFKVZPP-SJORKVTESA-N 2 0 360.506 0.978 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550757279 1268163204 /nfs/dbraw/zinc/16/32/04/1268163204.db2.gz XIRHVXPVJNECJB-GVDBMIGSSA-N 2 0 366.506 0.683 20 0 FCADRP Cc1ccc2nc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)cc(=O)n2c1 ZINC001550911613 1268183986 /nfs/dbraw/zinc/18/39/86/1268183986.db2.gz DXIDOIOPPXVKKD-OXQOHEQNSA-N 2 0 369.469 0.739 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC001550914366 1268184553 /nfs/dbraw/zinc/18/45/53/1268184553.db2.gz UEBVHBNHBSNUMM-WMLDXEAASA-N 2 0 350.488 0.601 20 0 FCADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980912 1268189879 /nfs/dbraw/zinc/18/98/79/1268189879.db2.gz SKYUHVKHZZRSFE-GVDBMIGSSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@@H](O)CN1CCN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001551279653 1268220350 /nfs/dbraw/zinc/22/03/50/1268220350.db2.gz DNGARMVWFFBVMI-LRYGQEGESA-N 2 0 368.522 0.728 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@H]3C2)CC1 ZINC001551276662 1268221342 /nfs/dbraw/zinc/22/13/42/1268221342.db2.gz HHCSWKYPPZCZNM-VIHIWDAPSA-N 2 0 366.506 0.480 20 0 FCADRP CN1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551284243 1268223299 /nfs/dbraw/zinc/22/32/99/1268223299.db2.gz MTPYDEZMPVMMQK-UPTPFMHGSA-N 2 0 354.495 0.650 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C2CC[NH2+]CC2)N1 ZINC001551392875 1268231291 /nfs/dbraw/zinc/23/12/91/1268231291.db2.gz WODUGFDVSNAQCI-RYRKJORJSA-N 3 0 350.507 0.382 20 0 FCADRP [NH3+][C@]1(CO)CCCN(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551492700 1268260490 /nfs/dbraw/zinc/26/04/90/1268260490.db2.gz XXBALGFAGFBPCX-KFKAGJAMSA-N 2 0 360.458 0.738 20 0 FCADRP [NH3+]C[C@]12C[C@H](CN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCC2 ZINC001551553392 1268265141 /nfs/dbraw/zinc/26/51/41/1268265141.db2.gz GTKMUPHZMNPDPI-UJNZZBMASA-N 2 0 363.506 0.546 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCCC12CC[NH2+]CC2 ZINC001551551764 1268265731 /nfs/dbraw/zinc/26/57/31/1268265731.db2.gz BPKZNDBINXSWRY-WBVHZDCISA-N 2 0 363.506 0.561 20 0 FCADRP CC1(C)CN(C(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CC[N@@H+]1CCO ZINC001551555417 1268267289 /nfs/dbraw/zinc/26/72/89/1268267289.db2.gz XOGZDNLFSSOPAV-HUUCEWRRSA-N 2 0 364.412 0.627 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC001551555740 1268267679 /nfs/dbraw/zinc/26/76/79/1268267679.db2.gz ONTYRSYMSZJPKZ-HGTKMLMNSA-N 2 0 355.458 0.023 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001551558789 1268269754 /nfs/dbraw/zinc/26/97/54/1268269754.db2.gz ZYNOFQDPIKEWQR-SJLPKXTDSA-N 2 0 374.489 0.594 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576890 1268275952 /nfs/dbraw/zinc/27/59/52/1268275952.db2.gz KQSBBJTZUJYKNB-SJLPKXTDSA-N 2 0 365.522 0.761 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC001551580460 1268277651 /nfs/dbraw/zinc/27/76/51/1268277651.db2.gz PXSJAQMQNSCFDU-OCUYMYNFSA-N 2 0 351.495 0.545 20 0 FCADRP CC1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001551579637 1268278056 /nfs/dbraw/zinc/27/80/56/1268278056.db2.gz ORKZVYQVKHCPPU-ZBFHGGJFSA-N 2 0 351.495 0.322 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597792 1268282713 /nfs/dbraw/zinc/28/27/13/1268282713.db2.gz XBWNETZNUAFWBW-DOTOQJQBSA-N 2 0 351.495 0.370 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001339767752 1268323979 /nfs/dbraw/zinc/32/39/79/1268323979.db2.gz JHYAHTDGGHPRGE-HNNXBMFYSA-N 2 0 353.463 0.146 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@H]2C[NH2+]C[C@@H]2OC)nn1 ZINC001552088639 1268367603 /nfs/dbraw/zinc/36/76/03/1268367603.db2.gz FJSWABXZUZOPJQ-ANQUJSFKSA-N 2 0 362.478 0.065 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC001552098313 1268372130 /nfs/dbraw/zinc/37/21/30/1268372130.db2.gz UCERAXHMTSKUIU-RTBURBONSA-N 2 0 368.485 0.915 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3C3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001552095107 1268372378 /nfs/dbraw/zinc/37/23/78/1268372378.db2.gz VAIYSBCIFGBILS-HZMVEIRTSA-N 2 0 362.478 0.013 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552123288 1268384037 /nfs/dbraw/zinc/38/40/37/1268384037.db2.gz COUZMJAZEIGEAT-RCCFBDPRSA-N 2 0 367.538 0.299 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001552127633 1268386493 /nfs/dbraw/zinc/38/64/93/1268386493.db2.gz VZMQCVXVYBXWFR-RRFJBIMHSA-N 2 0 350.467 0.554 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC001552135075 1268390275 /nfs/dbraw/zinc/39/02/75/1268390275.db2.gz DMAFSKNANRULLF-BRWVUGGUSA-N 2 0 367.538 0.299 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552154523 1268395629 /nfs/dbraw/zinc/39/56/29/1268395629.db2.gz JCBUXMYUJHSKOM-SQNIBIBYSA-N 2 0 350.507 0.145 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC([C@@H]3OCC[C@@H]3[NH3+])CC2)cnn1C ZINC001552164754 1268397919 /nfs/dbraw/zinc/39/79/19/1268397919.db2.gz ZTJHOUUYABCPLC-XSLAGTTESA-N 2 0 361.490 0.386 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)nn1 ZINC001552167299 1268398980 /nfs/dbraw/zinc/39/89/80/1268398980.db2.gz YKVXLAAJEOFVIY-NVXWUHKLSA-N 2 0 364.494 0.311 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)nn1 ZINC001552167300 1268400148 /nfs/dbraw/zinc/40/01/48/1268400148.db2.gz YKVXLAAJEOFVIY-RDJZCZTQSA-N 2 0 364.494 0.311 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168815 1268401250 /nfs/dbraw/zinc/40/12/50/1268401250.db2.gz WGOLUOLSSGLMAO-HOTGVXAUSA-N 2 0 361.494 0.053 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@@H]4COC5)n3)cn2)CC1 ZINC001552176904 1268403176 /nfs/dbraw/zinc/40/31/76/1268403176.db2.gz XNURRLXFJOZZKV-DNVCBOLYSA-N 2 0 370.457 0.761 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199598 1268407435 /nfs/dbraw/zinc/40/74/35/1268407435.db2.gz AVDYRPQFUKNLGH-YLJYHZDGSA-N 2 0 359.470 0.496 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202140 1268408402 /nfs/dbraw/zinc/40/84/02/1268408402.db2.gz AXPHBGPZOLLMDQ-TZIWHRDSSA-N 2 0 372.513 0.676 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201495 1268408562 /nfs/dbraw/zinc/40/85/62/1268408562.db2.gz POKSWLXWKNBKMV-SFNKJDCFSA-N 2 0 350.507 0.239 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202897 1268409499 /nfs/dbraw/zinc/40/94/99/1268409499.db2.gz SKVBZHKWFLWQAL-YLJYHZDGSA-N 2 0 358.486 0.999 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234463 1268417850 /nfs/dbraw/zinc/41/78/50/1268417850.db2.gz BYBLWKYXHFLYBM-WBVHZDCISA-N 2 0 369.473 0.970 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCc3sc(C[NH3+])nc3C2)cnn1C ZINC001552283363 1268431736 /nfs/dbraw/zinc/43/17/36/1268431736.db2.gz RGAAIJMYLPUTNC-STQMWFEESA-N 2 0 360.487 0.532 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001340111648 1268438505 /nfs/dbraw/zinc/43/85/05/1268438505.db2.gz GPPIFVFVOKUGPN-SJORKVTESA-N 2 0 361.490 0.152 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001340111645 1268439043 /nfs/dbraw/zinc/43/90/43/1268439043.db2.gz GPPIFVFVOKUGPN-DLBZAZTESA-N 2 0 361.490 0.152 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)CC1 ZINC001552436114 1268463358 /nfs/dbraw/zinc/46/33/58/1268463358.db2.gz ZZERCMUXBGQWRC-JKSUJKDBSA-N 2 0 360.506 0.727 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552441274 1268465519 /nfs/dbraw/zinc/46/55/19/1268465519.db2.gz ISNLXOWYEWPCHO-UXLLHSPISA-N 2 0 362.478 0.480 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001552601419 1268485436 /nfs/dbraw/zinc/48/54/36/1268485436.db2.gz CFXPOGOGRUJLLP-QBPKDAKJSA-N 2 0 363.510 0.895 20 0 FCADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001552661506 1268513071 /nfs/dbraw/zinc/51/30/71/1268513071.db2.gz MVYRKMYWDPWYJU-KKUMJFAQSA-N 2 0 361.494 0.459 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC001552686038 1268521583 /nfs/dbraw/zinc/52/15/83/1268521583.db2.gz SLKRVQGFGRAUPP-UHFFFAOYSA-N 2 0 355.446 0.934 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001552797648 1268550503 /nfs/dbraw/zinc/55/05/03/1268550503.db2.gz MTPYBBAKUUQBGW-SJORKVTESA-N 2 0 363.510 0.897 20 0 FCADRP C[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552855934 1268560593 /nfs/dbraw/zinc/56/05/93/1268560593.db2.gz ZKCCELFLVDPTDI-JFGNBEQYSA-N 2 0 354.405 0.963 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)CC1 ZINC001552976691 1268572134 /nfs/dbraw/zinc/57/21/34/1268572134.db2.gz ORTHRLIPPIREDG-SFHVURJKSA-N 2 0 351.539 0.107 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](CN4CCOCC4)O3)C2)C1 ZINC001553143511 1268597598 /nfs/dbraw/zinc/59/75/98/1268597598.db2.gz DAHDKKVJTVATRX-SCTDSRPQSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC001553358673 1268637935 /nfs/dbraw/zinc/63/79/35/1268637935.db2.gz ZQFWAXXDTYTLTK-HNNXBMFYSA-N 2 0 353.430 0.958 20 0 FCADRP CN1CC[C@@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378083 1268640065 /nfs/dbraw/zinc/64/00/65/1268640065.db2.gz JKEYYMGUVVOLDB-QFBILLFUSA-N 2 0 363.506 0.278 20 0 FCADRP COCC(=O)Nc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553397046 1268642208 /nfs/dbraw/zinc/64/22/08/1268642208.db2.gz YQBSYAXXBWPLRS-BEFAXECRSA-N 2 0 360.458 0.429 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@@H]2C1 ZINC001553389256 1268642949 /nfs/dbraw/zinc/64/29/49/1268642949.db2.gz KXMPABRIJGBKTR-OXQOHEQNSA-N 2 0 372.469 0.639 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@@H]2C1 ZINC001553385265 1268643235 /nfs/dbraw/zinc/64/32/35/1268643235.db2.gz ZVOZHTYZWGXVFJ-ACJLOTCBSA-N 2 0 364.877 0.727 20 0 FCADRP C[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001553425616 1268648709 /nfs/dbraw/zinc/64/87/09/1268648709.db2.gz FPRWMALCPQSHSP-NXHRZFHOSA-N 2 0 365.522 0.317 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)nc1 ZINC001553425810 1268649141 /nfs/dbraw/zinc/64/91/41/1268649141.db2.gz UMYSGUZVWQUTJH-IKGGRYGDSA-N 2 0 359.474 0.311 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553437175 1268650714 /nfs/dbraw/zinc/65/07/14/1268650714.db2.gz CPQOFSIBJJSAOZ-INIZCTEOSA-N 2 0 358.490 0.856 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553455500 1268654635 /nfs/dbraw/zinc/65/46/35/1268654635.db2.gz YLSKMSZJFMTXDO-KURKYZTESA-N 2 0 365.522 0.176 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CC1(C)C ZINC001553482677 1268658116 /nfs/dbraw/zinc/65/81/16/1268658116.db2.gz VKCBXNPCIBXWIX-HNNXBMFYSA-N 2 0 353.511 0.162 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553505634 1268660290 /nfs/dbraw/zinc/66/02/90/1268660290.db2.gz UOTCKKYKLRFWGW-RDBSUJKOSA-N 2 0 363.428 0.464 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001553544493 1268666789 /nfs/dbraw/zinc/66/67/89/1268666789.db2.gz QNSLZHXGGBTURE-UMVBOHGHSA-N 2 0 365.457 0.018 20 0 FCADRP CC[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCO[C@H](CC)C1 ZINC001340922521 1268710547 /nfs/dbraw/zinc/71/05/47/1268710547.db2.gz MIGUTUJVHUIADQ-BBWFWOEESA-N 2 0 368.522 0.722 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)nn1 ZINC001554035521 1268745443 /nfs/dbraw/zinc/74/54/43/1268745443.db2.gz FKRFBLSVLPZKEN-UKRRQHHQSA-N 2 0 368.401 0.199 20 0 FCADRP COC(=O)CCN1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)o2)[C@H](C)C1 ZINC001341042071 1268756941 /nfs/dbraw/zinc/75/69/41/1268756941.db2.gz OVOCPEQALYVDEE-CYBMUJFWSA-N 2 0 364.446 0.851 20 0 FCADRP Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001341240372 1268884049 /nfs/dbraw/zinc/88/40/49/1268884049.db2.gz NQTPSXVZYUFNBR-UHFFFAOYSA-N 2 0 361.538 0.841 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001341625880 1269116754 /nfs/dbraw/zinc/11/67/54/1269116754.db2.gz CLZUNGFHIVMFLP-HXUWFJFHSA-N 2 0 360.502 0.555 20 0 FCADRP [NH3+][C@H](CO)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001341734802 1269177480 /nfs/dbraw/zinc/17/74/80/1269177480.db2.gz XSUOXCUHLXPALE-QGZVFWFLSA-N 2 0 369.469 0.704 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC001559906486 1269179390 /nfs/dbraw/zinc/17/93/90/1269179390.db2.gz TZEQVTCLDNETNC-UHFFFAOYSA-N 2 0 372.579 0.902 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001342248285 1269408756 /nfs/dbraw/zinc/40/87/56/1269408756.db2.gz QUSZVZKAYCADPA-HXUWFJFHSA-N 2 0 360.502 0.602 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001566048331 1269580676 /nfs/dbraw/zinc/58/06/76/1269580676.db2.gz JUWZTVBTDTUKHV-SJORKVTESA-N 2 0 367.538 0.816 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1OC ZINC001343013910 1269730639 /nfs/dbraw/zinc/73/06/39/1269730639.db2.gz JGMYEXNWTRNZJO-HUUCEWRRSA-N 2 0 365.478 0.037 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001572966832 1270423790 /nfs/dbraw/zinc/42/37/90/1270423790.db2.gz RIQLODQBBSOACA-GVDBMIGSSA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001573006261 1270489794 /nfs/dbraw/zinc/48/97/94/1270489794.db2.gz XAAJHWVHPUCTCD-IKGGRYGDSA-N 2 0 366.506 0.031 20 0 FCADRP CC(C)[C@H](C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573975581 1270969704 /nfs/dbraw/zinc/96/97/04/1270969704.db2.gz UBYVBSYZKNEUDU-SEEARECTSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573976079 1270970625 /nfs/dbraw/zinc/97/06/25/1270970625.db2.gz WCSWDUFZFQQYIS-HOTGVXAUSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[NH+](C)C ZINC001573977401 1270972640 /nfs/dbraw/zinc/97/26/40/1270972640.db2.gz MVDYZKVLWJXCPN-OAHLLOKOSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574252493 1271121986 /nfs/dbraw/zinc/12/19/86/1271121986.db2.gz JFWWPKFQFGNVIL-CYBMUJFWSA-N 2 0 358.450 0.284 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574253892 1271123196 /nfs/dbraw/zinc/12/31/96/1271123196.db2.gz ZZBBJTNQRGIDIK-UHFFFAOYSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255964 1271127817 /nfs/dbraw/zinc/12/78/17/1271127817.db2.gz VZZDOYFMZFKITF-ZIAGYGMSSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260792 1271135498 /nfs/dbraw/zinc/13/54/98/1271135498.db2.gz XKEQBAPTUDOUNZ-UHFFFAOYSA-N 2 0 363.441 0.894 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574584498 1271381545 /nfs/dbraw/zinc/38/15/45/1271381545.db2.gz NTYIFAAENXTQKL-IUODEOHRSA-N 2 0 360.466 0.577 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598803 1271401694 /nfs/dbraw/zinc/40/16/94/1271401694.db2.gz SEEKDINBOBNVEJ-SWLSCSKDSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597794 1271402159 /nfs/dbraw/zinc/40/21/59/1271402159.db2.gz QHVSTOPSVSAGNB-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603274 1271407362 /nfs/dbraw/zinc/40/73/62/1271407362.db2.gz BLQLWIAWAJOQAY-CHWSQXEVSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574670914 1271472172 /nfs/dbraw/zinc/47/21/72/1271472172.db2.gz GMGMVDZNZTYNKB-WFASDCNBSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574671088 1271472913 /nfs/dbraw/zinc/47/29/13/1271472913.db2.gz JEFNYSQTWPEOLF-LBPRGKRZSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574830073 1271575864 /nfs/dbraw/zinc/57/58/64/1271575864.db2.gz PLUKJQRQEMVYMW-LBPRGKRZSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574831814 1271578015 /nfs/dbraw/zinc/57/80/15/1271578015.db2.gz YHLWAPNYAZBNRV-ZDUSSCGKSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853250 1271601466 /nfs/dbraw/zinc/60/14/66/1271601466.db2.gz MBZWGCGHJMSUSL-GFCCVEGCSA-N 2 0 358.450 0.190 20 0 FCADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853769 1271604451 /nfs/dbraw/zinc/60/44/51/1271604451.db2.gz DZMPJNNEMFFHGU-ZDUSSCGKSA-N 2 0 370.461 0.831 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574854363 1271606343 /nfs/dbraw/zinc/60/63/43/1271606343.db2.gz LQSYFRFWVIBFFL-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884912 1271643282 /nfs/dbraw/zinc/64/32/82/1271643282.db2.gz IHMCLASKYNRFNT-WFASDCNBSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574889670 1271652124 /nfs/dbraw/zinc/65/21/24/1271652124.db2.gz XSLAJRZCIOUFAL-CXAGYDPISA-N 2 0 369.473 0.803 20 0 FCADRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909579 1271672514 /nfs/dbraw/zinc/67/25/14/1271672514.db2.gz PRQQUDZXXUPJSO-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](C(=O)N1CCCC1)N1CC[NH+](CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001575057628 1271701298 /nfs/dbraw/zinc/70/12/98/1271701298.db2.gz SMHIQIWIHRBCFP-VLFFPSDRSA-N 2 0 350.507 0.260 20 0 FCADRP CC(C)(C(=O)NCC1([NH2+]Cc2cnn[nH]2)CCOCC1)[NH+]1CCCCC1 ZINC001575240930 1271847010 /nfs/dbraw/zinc/84/70/10/1271847010.db2.gz KOAOTLGLIZGXOT-UHFFFAOYSA-N 2 0 364.494 0.824 20 0 FCADRP CC(C)(C)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[NH+]1CCC(O)CC1 ZINC001575289415 1271872258 /nfs/dbraw/zinc/87/22/58/1271872258.db2.gz YCIIQHCSISOIMX-CQSZACIVSA-N 2 0 350.511 0.960 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001575296718 1271885947 /nfs/dbraw/zinc/88/59/47/1271885947.db2.gz XCICRSLKQVAYRT-LSDHHAIUSA-N 2 0 364.494 0.538 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575385481 1272030652 /nfs/dbraw/zinc/03/06/52/1272030652.db2.gz NPCSEGVJPZKSNC-UONOGXRCSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001575437368 1272106201 /nfs/dbraw/zinc/10/62/01/1272106201.db2.gz AMTLYYPDTGGANN-KGLIPLIRSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001575439819 1272109790 /nfs/dbraw/zinc/10/97/90/1272109790.db2.gz QOOHJEQWKPZUDY-OLZOCXBDSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](C[C@H](C)[NH2+]Cc1cnn[nH]1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575509472 1272173206 /nfs/dbraw/zinc/17/32/06/1272173206.db2.gz IGPDMJKCLRHHTD-UONOGXRCSA-N 2 0 352.483 0.536 20 0 FCADRP CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC001575545882 1272189725 /nfs/dbraw/zinc/18/97/25/1272189725.db2.gz QTQIJMHIMVDWCK-RBSFLKMASA-N 2 0 363.510 0.743 20 0 FCADRP CC(C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001575682467 1272294981 /nfs/dbraw/zinc/29/49/81/1272294981.db2.gz PUPBPRLJSHKUCH-KFWWJZLASA-N 2 0 363.510 0.490 20 0 FCADRP C[C@@H]([NH2+]CCc1cn[nH]n1)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688685 1272300449 /nfs/dbraw/zinc/30/04/49/1272300449.db2.gz BSPZSOVJZUWFDI-CABCVRRESA-N 2 0 374.493 0.246 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2nncn2C)CC1 ZINC001575700362 1272320890 /nfs/dbraw/zinc/32/08/90/1272320890.db2.gz QHEUMCKZFPKRKH-GASCZTMLSA-N 2 0 373.509 0.580 20 0 FCADRP CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001575842161 1272514036 /nfs/dbraw/zinc/51/40/36/1272514036.db2.gz IFBCYSGWWBSXHH-AWEZNQCLSA-N 2 0 355.464 0.004 20 0 FCADRP C[C@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001575914968 1272558987 /nfs/dbraw/zinc/55/89/87/1272558987.db2.gz NWBHTIDOUFORDI-SJORKVTESA-N 2 0 353.507 0.698 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989787 1272650663 /nfs/dbraw/zinc/65/06/63/1272650663.db2.gz CJGWVDUHHYYXJX-QLFBSQMISA-N 2 0 363.510 0.684 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2cnn[nH]2)CCOCC1 ZINC001576070059 1272831736 /nfs/dbraw/zinc/83/17/36/1272831736.db2.gz BUWGXCDACCJDPJ-ZIAGYGMSSA-N 2 0 350.467 0.433 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576112480 1272903311 /nfs/dbraw/zinc/90/33/11/1272903311.db2.gz WFLYKFLHOZYUOH-CVEARBPZSA-N 2 0 360.506 0.907 20 0 FCADRP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001576201820 1272987494 /nfs/dbraw/zinc/98/74/94/1272987494.db2.gz YZLISXKYDYKUTE-HRCADAONSA-N 2 0 353.511 0.160 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576231212 1272996323 /nfs/dbraw/zinc/99/63/23/1272996323.db2.gz GMWZKBCXFQDGEU-DOMZBBRYSA-N 2 0 368.445 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576246007 1273023734 /nfs/dbraw/zinc/02/37/34/1273023734.db2.gz KPQNVMPIIROMNO-DOMZBBRYSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576256054 1273040047 /nfs/dbraw/zinc/04/00/47/1273040047.db2.gz NKDJEDZBBBYHIY-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576255618 1273040063 /nfs/dbraw/zinc/04/00/63/1273040063.db2.gz LSQJCSYNOXHKRY-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001576257478 1273043056 /nfs/dbraw/zinc/04/30/56/1273043056.db2.gz AYPFJCXCMAKVAI-SUMWQHHRSA-N 2 0 358.483 0.049 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497087 1273354299 /nfs/dbraw/zinc/35/42/99/1273354299.db2.gz BSCYYSOXCZPUAQ-JKSUJKDBSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576498439 1273358100 /nfs/dbraw/zinc/35/81/00/1273358100.db2.gz AMNRUPMMULEONU-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500286 1273364354 /nfs/dbraw/zinc/36/43/54/1273364354.db2.gz XMJRRMIHDZXGRD-HZPDHXFCSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500285 1273364541 /nfs/dbraw/zinc/36/45/41/1273364541.db2.gz XMJRRMIHDZXGRD-HOTGVXAUSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576500568 1273366521 /nfs/dbraw/zinc/36/65/21/1273366521.db2.gz YNQNLCHBQAYZHQ-OCCSQVGLSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576512541 1273389231 /nfs/dbraw/zinc/38/92/31/1273389231.db2.gz QVCRVWAAHLBMFS-XJKCOSOUSA-N 2 0 372.477 0.639 20 0 FCADRP CCOCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001576583111 1273463007 /nfs/dbraw/zinc/46/30/07/1273463007.db2.gz OCFZQYDOJROFAY-KRWDZBQOSA-N 2 0 366.510 0.974 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn[nH]2)CC1 ZINC001576751381 1273622126 /nfs/dbraw/zinc/62/21/26/1273622126.db2.gz FUQFTFZWMAUWHV-AEFFLSMTSA-N 2 0 364.494 0.632 20 0 FCADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576794686 1273695680 /nfs/dbraw/zinc/69/56/80/1273695680.db2.gz FVHJRIJBKOQJNV-AWEZNQCLSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795227 1273695728 /nfs/dbraw/zinc/69/57/28/1273695728.db2.gz HQZJZOSSZYENJY-RYUDHWBXSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1C[NH3+] ZINC001576801689 1273707328 /nfs/dbraw/zinc/70/73/28/1273707328.db2.gz SXCCCCVSWBCGOT-OLZOCXBDSA-N 2 0 354.476 0.579 20 0 FCADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576817635 1273737348 /nfs/dbraw/zinc/73/73/48/1273737348.db2.gz TTZPKJHMDXCADG-AWEZNQCLSA-N 2 0 372.477 0.866 20 0 FCADRP CC[C@@H](CNC(=O)C[NH+](CC)CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576822321 1273744555 /nfs/dbraw/zinc/74/45/55/1273744555.db2.gz FVROGSABGRIZQB-ZDUSSCGKSA-N 2 0 360.466 0.641 20 0 FCADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825839 1273750557 /nfs/dbraw/zinc/75/05/57/1273750557.db2.gz XAKRCGIDENJAJT-CYBMUJFWSA-N 2 0 372.477 0.783 20 0 FCADRP C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCCC2)CC[NH2+]1 ZINC001576828375 1273753936 /nfs/dbraw/zinc/75/39/36/1273753936.db2.gz YXDXOFVLKKLYOH-HNNXBMFYSA-N 2 0 358.494 0.963 20 0 FCADRP C[C@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828552 1273755439 /nfs/dbraw/zinc/75/54/39/1273755439.db2.gz IHNKCSFPNPHLDR-GOEBONIOSA-N 2 0 361.538 0.965 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCOCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001576833236 1273759624 /nfs/dbraw/zinc/75/96/24/1273759624.db2.gz RMCIKTKPAJHLKO-PMPSAXMXSA-N 2 0 366.510 0.881 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576843166 1273781967 /nfs/dbraw/zinc/78/19/67/1273781967.db2.gz WHINLPDDMVPFDY-MGPQQGTHSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001576995064 1274028225 /nfs/dbraw/zinc/02/82/25/1274028225.db2.gz IKKHWPJQGMCRLH-GJZGRUSLSA-N 2 0 365.526 0.932 20 0 FCADRP CC[C@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CCOCC[NH+](C)C)CCO1 ZINC001577300779 1274314536 /nfs/dbraw/zinc/31/45/36/1274314536.db2.gz WSDBMYQVSLGNQE-HOTGVXAUSA-N 2 0 366.510 0.896 20 0 FCADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001577530640 1274473776 /nfs/dbraw/zinc/47/37/76/1274473776.db2.gz MJMSYCVQWWDWOJ-ZBFHGGJFSA-N 2 0 358.494 0.948 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577553799 1274495797 /nfs/dbraw/zinc/49/57/97/1274495797.db2.gz JBDFXOOZCDCTAT-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555439 1274496543 /nfs/dbraw/zinc/49/65/43/1274496543.db2.gz ZMFKQQLVQXINEX-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554412 1274497615 /nfs/dbraw/zinc/49/76/15/1274497615.db2.gz RNRWIVPEDNTNGJ-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577560428 1274507685 /nfs/dbraw/zinc/50/76/85/1274507685.db2.gz DXLLYTNJADVKAC-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561356 1274511540 /nfs/dbraw/zinc/51/15/40/1274511540.db2.gz XPCFXWXPZCTDHF-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577567863 1274523703 /nfs/dbraw/zinc/52/37/03/1274523703.db2.gz JMTPSYLCIDVKLY-HIFRSBDPSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570649 1274531623 /nfs/dbraw/zinc/53/16/23/1274531623.db2.gz BXBALXKOMTZDJD-STQMWFEESA-N 2 0 360.466 0.721 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668159 1274688945 /nfs/dbraw/zinc/68/89/45/1274688945.db2.gz IWRRZBURPUELII-IUODEOHRSA-N 2 0 358.450 0.475 20 0 FCADRP CC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704256 1274766257 /nfs/dbraw/zinc/76/62/57/1274766257.db2.gz ILNKZPUGPLGUBJ-ZFWWWQNUSA-N 2 0 353.463 0.755 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([NH2+]C)C1)C(C)C ZINC001577731435 1274807760 /nfs/dbraw/zinc/80/77/60/1274807760.db2.gz QECZXCUFISHGPH-HNNXBMFYSA-N 2 0 365.526 0.945 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@H]1C ZINC001577760599 1274843082 /nfs/dbraw/zinc/84/30/82/1274843082.db2.gz YRHUUTWIPICRNE-QLFBSQMISA-N 2 0 363.510 0.887 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC001577763610 1274848654 /nfs/dbraw/zinc/84/86/54/1274848654.db2.gz FYRBXLKTNNLPMI-DZKIICNBSA-N 2 0 358.494 0.804 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849792 1274987479 /nfs/dbraw/zinc/98/74/79/1274987479.db2.gz ZCABLIXBKZWBRI-CYBMUJFWSA-N 2 0 360.466 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577851851 1274990866 /nfs/dbraw/zinc/99/08/66/1274990866.db2.gz DBZAFIFEOARHMD-STQMWFEESA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852070 1274994171 /nfs/dbraw/zinc/99/41/71/1274994171.db2.gz JGELOBCLPKMSGP-KGLIPLIRSA-N 2 0 372.477 0.532 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577851850 1274994585 /nfs/dbraw/zinc/99/45/85/1274994585.db2.gz DBZAFIFEOARHMD-QWHCGFSZSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001577861658 1275027885 /nfs/dbraw/zinc/02/78/85/1275027885.db2.gz YYPWZXFBCUSJMI-HOCLYGCPSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577869638 1275054926 /nfs/dbraw/zinc/05/49/26/1275054926.db2.gz LKHCNSORTAYOKU-HZPDHXFCSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577869630 1275057341 /nfs/dbraw/zinc/05/73/41/1275057341.db2.gz KVURRFGYTQJPPG-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882964 1275083769 /nfs/dbraw/zinc/08/37/69/1275083769.db2.gz QDMUKXQXRVZEGO-UONOGXRCSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883279 1275086601 /nfs/dbraw/zinc/08/66/01/1275086601.db2.gz XYOSZSWUJLADGK-DOMZBBRYSA-N 2 0 358.450 0.284 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577886281 1275092857 /nfs/dbraw/zinc/09/28/57/1275092857.db2.gz ZOBYRFCDSSSYGB-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577892570 1275102656 /nfs/dbraw/zinc/10/26/56/1275102656.db2.gz QNVHCJRRFXRNSM-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)[C@@H](CO)C1 ZINC001577966928 1275192131 /nfs/dbraw/zinc/19/21/31/1275192131.db2.gz BAXUOLMNCZFMJS-HIFRSBDPSA-N 2 0 352.435 0.228 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001578136459 1275434658 /nfs/dbraw/zinc/43/46/58/1275434658.db2.gz QNNLAILBPVFFND-UHFFFAOYSA-N 2 0 358.450 0.286 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC001578157417 1275457181 /nfs/dbraw/zinc/45/71/81/1275457181.db2.gz DHAHKGIPEKMCKJ-NVXWUHKLSA-N 2 0 353.488 0.415 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219911 1275517293 /nfs/dbraw/zinc/51/72/93/1275517293.db2.gz SMJNNFXZTAOFBU-XJKSGUPXSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219761 1275517462 /nfs/dbraw/zinc/51/74/62/1275517462.db2.gz QCMHMJVILZFFIH-CJNGLKHVSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220872 1275518732 /nfs/dbraw/zinc/51/87/32/1275518732.db2.gz BHOBMWRHENMQOZ-WFASDCNBSA-N 2 0 358.450 0.475 20 0 FCADRP O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001580805838 1278964891 /nfs/dbraw/zinc/96/48/91/1278964891.db2.gz YAYWKRMUKMGFLU-JKSUJKDBSA-N 2 0 358.442 0.560 20 0 FCADRP CCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001578331292 1275676791 /nfs/dbraw/zinc/67/67/91/1275676791.db2.gz RKTQEYKJKBYPGJ-GJYPPUQNSA-N 2 0 361.538 0.652 20 0 FCADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412498 1275783401 /nfs/dbraw/zinc/78/34/01/1275783401.db2.gz OBQOKZYGEZVDEZ-SJORKVTESA-N 2 0 352.523 0.759 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001578418933 1275787538 /nfs/dbraw/zinc/78/75/38/1275787538.db2.gz QRZIAHWAXXWISM-HNNXBMFYSA-N 2 0 352.504 0.836 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC001578418720 1275787657 /nfs/dbraw/zinc/78/76/57/1275787657.db2.gz PWMBCQLJPREKCG-ZDUSSCGKSA-N 2 0 354.476 0.607 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[NH+](C)C ZINC001578421930 1275789977 /nfs/dbraw/zinc/78/99/77/1275789977.db2.gz MABGCSBDJCJNOI-VVLHAWIVSA-N 2 0 369.473 0.753 20 0 FCADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452114 1275849160 /nfs/dbraw/zinc/84/91/60/1275849160.db2.gz OUDAHGBKJHPKFY-NEPJUHHUSA-N 2 0 350.385 0.279 20 0 FCADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578524252 1275957710 /nfs/dbraw/zinc/95/77/10/1275957710.db2.gz CANAKPXTURPFKE-OKZBNKHCSA-N 2 0 352.523 0.770 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001578536571 1275965517 /nfs/dbraw/zinc/96/55/17/1275965517.db2.gz AKOFWPRJGLBAOS-DLBZAZTESA-N 2 0 358.490 0.727 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001578609480 1276045175 /nfs/dbraw/zinc/04/51/75/1276045175.db2.gz UIQJUUZFHSMNIY-CVEARBPZSA-N 2 0 373.505 0.918 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001578841295 1276360037 /nfs/dbraw/zinc/36/00/37/1276360037.db2.gz BLQULEPWJAILAH-FQRJBHLQSA-N 2 0 350.463 0.535 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)Nc1ccnn1CC[NH+](C)C)C2 ZINC001578842549 1276362252 /nfs/dbraw/zinc/36/22/52/1276362252.db2.gz PAAOHYGMFHDQER-IIYDPXPESA-N 2 0 364.450 0.189 20 0 FCADRP COC(=O)c1cnc([C@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)s1 ZINC001578883198 1276414603 /nfs/dbraw/zinc/41/46/03/1276414603.db2.gz QHDGGKPVVAVPHO-LBPRGKRZSA-N 2 0 352.460 0.541 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001578970904 1276514664 /nfs/dbraw/zinc/51/46/64/1276514664.db2.gz NOUMVKOWWFLQFX-UHFFFAOYSA-N 2 0 370.461 0.428 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578973617 1276520997 /nfs/dbraw/zinc/52/09/97/1276520997.db2.gz VPRPZPYWPQFTEJ-IYBDPMFKSA-N 2 0 369.473 0.945 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578974383 1276522102 /nfs/dbraw/zinc/52/21/02/1276522102.db2.gz NCNVZZPEXOKQQO-CQSZACIVSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578974741 1276522339 /nfs/dbraw/zinc/52/23/39/1276522339.db2.gz RPEIIZOZCBIRQG-AWEZNQCLSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578974178 1276523100 /nfs/dbraw/zinc/52/31/00/1276523100.db2.gz JFIGDXFWEHNODN-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001578977412 1276532164 /nfs/dbraw/zinc/53/21/64/1276532164.db2.gz OFFCYNSVGHCCLZ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977850 1276534068 /nfs/dbraw/zinc/53/40/68/1276534068.db2.gz ATJUOQPRGQCXET-CHWSQXEVSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578977664 1276534264 /nfs/dbraw/zinc/53/42/64/1276534264.db2.gz UMAFPZOMDIUQKX-UHFFFAOYSA-N 2 0 357.462 0.853 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979214 1276539446 /nfs/dbraw/zinc/53/94/46/1276539446.db2.gz XRBYLNOTIUKZGB-HIFRSBDPSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578980138 1276540688 /nfs/dbraw/zinc/54/06/88/1276540688.db2.gz BHFVWRBQNFJCHN-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578981197 1276542560 /nfs/dbraw/zinc/54/25/60/1276542560.db2.gz SXYWJFSPBFNCLU-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578982393 1276545760 /nfs/dbraw/zinc/54/57/60/1276545760.db2.gz NNUQDBUYRQCVRR-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CN(C(=O)CCC[NH+](C)C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578982470 1276545955 /nfs/dbraw/zinc/54/59/55/1276545955.db2.gz QSECOIGPDUTQMA-MRXNPFEDSA-N 2 0 372.477 0.674 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001578987461 1276557656 /nfs/dbraw/zinc/55/76/56/1276557656.db2.gz DUJHVKSEBNVXAG-HALDLXJZSA-N 2 0 373.436 0.504 20 0 FCADRP Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-c1nn[nH]n1 ZINC001578991915 1276565057 /nfs/dbraw/zinc/56/50/57/1276565057.db2.gz HFEORGYQAASASE-CHWSQXEVSA-N 2 0 360.466 0.017 20 0 FCADRP CN(CCC[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1)CC[NH+](C)C ZINC001578991284 1276565531 /nfs/dbraw/zinc/56/55/31/1276565531.db2.gz VEDBGLYQCSBTTK-KRWDZBQOSA-N 2 0 361.494 0.715 20 0 FCADRP CN(CCC[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)CC[NH+](C)C ZINC001578991285 1276565995 /nfs/dbraw/zinc/56/59/95/1276565995.db2.gz VEDBGLYQCSBTTK-QGZVFWFLSA-N 2 0 361.494 0.715 20 0 FCADRP C[N@H+](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001579007230 1276581581 /nfs/dbraw/zinc/58/15/81/1276581581.db2.gz QCONNPFDVUWDKD-AWEZNQCLSA-N 2 0 370.461 0.571 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCCOCC1 ZINC001579014427 1276587009 /nfs/dbraw/zinc/58/70/09/1276587009.db2.gz NVNOLJKAGPPKBY-IYBDPMFKSA-N 2 0 366.510 0.678 20 0 FCADRP COCC[N@H+](C)CCCn1c(CC2CC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021012 1276599126 /nfs/dbraw/zinc/59/91/26/1276599126.db2.gz JFZUWOFQAQMNNI-OAHLLOKOSA-N 2 0 350.511 0.997 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001579021266 1276599598 /nfs/dbraw/zinc/59/95/98/1276599598.db2.gz LJDQCBXQSLYUOC-HUUCEWRRSA-N 2 0 359.478 0.702 20 0 FCADRP COCC[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579025888 1276609034 /nfs/dbraw/zinc/60/90/34/1276609034.db2.gz HKORCMBJSMXBFO-HNNXBMFYSA-N 2 0 362.482 0.184 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037168 1276621172 /nfs/dbraw/zinc/62/11/72/1276621172.db2.gz IRELVHVIISYJGC-ARFHVFGLSA-N 2 0 354.495 0.047 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[NH3+] ZINC001579081681 1276709374 /nfs/dbraw/zinc/70/93/74/1276709374.db2.gz SWGWIISVSLNTMO-HOTGVXAUSA-N 2 0 366.510 0.881 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001579082318 1276710355 /nfs/dbraw/zinc/71/03/55/1276710355.db2.gz ZBJXLQPPVIOEOD-UGUYLWEFSA-N 2 0 366.510 0.750 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001579151331 1276889564 /nfs/dbraw/zinc/88/95/64/1276889564.db2.gz ZFOOQEAOBFJMJX-UHFFFAOYSA-N 2 0 356.434 0.252 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326307 1277149938 /nfs/dbraw/zinc/14/99/38/1277149938.db2.gz JJNHDTSKYOEIHN-STQMWFEESA-N 2 0 356.434 0.038 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327196 1277152282 /nfs/dbraw/zinc/15/22/82/1277152282.db2.gz QCQPCXKFFXEJNZ-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331357 1277160050 /nfs/dbraw/zinc/16/00/50/1277160050.db2.gz AUXZVINJRJZYOI-IRXDYDNUSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331602 1277161410 /nfs/dbraw/zinc/16/14/10/1277161410.db2.gz CWTCIBFJKJBCMU-CABCVRRESA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001579331726 1277162678 /nfs/dbraw/zinc/16/26/78/1277162678.db2.gz HDZSPBLPWMSMKT-LLVKDONJSA-N 2 0 361.475 0.618 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579332535 1277165774 /nfs/dbraw/zinc/16/57/74/1277165774.db2.gz LEUSXEJROZNMDY-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579332303 1277165962 /nfs/dbraw/zinc/16/59/62/1277165962.db2.gz JLNGUORAAYUXPX-WIHSUSGWSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333021 1277166405 /nfs/dbraw/zinc/16/64/05/1277166405.db2.gz NRQHUTFTTXFHPT-XIKOKIGWSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333854 1277169101 /nfs/dbraw/zinc/16/91/01/1277169101.db2.gz SNAVQMYJUXHRFK-LPHOPBHVSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334795 1277173579 /nfs/dbraw/zinc/17/35/79/1277173579.db2.gz HBFSQZNWCUMTHA-INIZCTEOSA-N 2 0 355.446 0.366 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341563 1277188213 /nfs/dbraw/zinc/18/82/13/1277188213.db2.gz OXZAZMBWWHXAQL-CYBMUJFWSA-N 2 0 370.461 0.428 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579345090 1277196327 /nfs/dbraw/zinc/19/63/27/1277196327.db2.gz UHWUKMATKGCEMK-CQSZACIVSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344928 1277196566 /nfs/dbraw/zinc/19/65/66/1277196566.db2.gz IMUVCEKQZKKKFI-UONOGXRCSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358156 1277224140 /nfs/dbraw/zinc/22/41/40/1277224140.db2.gz AIPBTERHHSREHM-IAGOWNOFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359143 1277231222 /nfs/dbraw/zinc/23/12/22/1277231222.db2.gz OWOZQQBMZFBPIL-YPQKKHBXSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361246 1277234791 /nfs/dbraw/zinc/23/47/91/1277234791.db2.gz KRBDCPZMEVEZOK-ZDUSSCGKSA-N 2 0 370.461 0.619 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366258 1277247219 /nfs/dbraw/zinc/24/72/19/1277247219.db2.gz QKDJGDIQTBQBPQ-CJNGLKHVSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579369230 1277251800 /nfs/dbraw/zinc/25/18/00/1277251800.db2.gz VSGJXDBOOBXXEX-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP CS[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1[NH+]1CCCC1 ZINC001579370487 1277253354 /nfs/dbraw/zinc/25/33/54/1277253354.db2.gz QXLPOTBQFIZYJN-HUUCEWRRSA-N 2 0 352.508 0.669 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001579397424 1277279265 /nfs/dbraw/zinc/27/92/65/1277279265.db2.gz XCISEMNBXHBAPI-INIZCTEOSA-N 2 0 350.511 0.350 20 0 FCADRP C[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC001579424259 1277295753 /nfs/dbraw/zinc/29/57/53/1277295753.db2.gz QJVMBRWKUFKZEK-SJORKVTESA-N 2 0 367.538 0.552 20 0 FCADRP Cc1c(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)ccc2c[nH+]cn21 ZINC001579522109 1277478223 /nfs/dbraw/zinc/47/82/23/1277478223.db2.gz KGZALBPTVODHJY-UHFFFAOYSA-N 2 0 356.430 0.426 20 0 FCADRP Cc1nc2n(n1)CCN(c1nnc(C3CC3)n1CCC[N@H+](C)CCC[NH3+])C2 ZINC001579873248 1277945710 /nfs/dbraw/zinc/94/57/10/1277945710.db2.gz HLOLWOBJVKIDLH-UHFFFAOYSA-N 2 0 373.509 0.746 20 0 FCADRP Cc1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001579910859 1277958843 /nfs/dbraw/zinc/95/88/43/1277958843.db2.gz BZOCYUQJWCLJNF-KRWDZBQOSA-N 2 0 352.483 0.253 20 0 FCADRP Cc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001579910283 1277959097 /nfs/dbraw/zinc/95/90/97/1277959097.db2.gz HLEIMMJQNRJTPU-KRWDZBQOSA-N 2 0 365.482 0.288 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580277025 1278071494 /nfs/dbraw/zinc/07/14/94/1278071494.db2.gz QVBBAVPGSHKHOV-WCQYABFASA-N 2 0 361.425 0.552 20 0 FCADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC001580857874 1279052938 /nfs/dbraw/zinc/05/29/38/1279052938.db2.gz ADONYCHRAWAMCS-QXSJWSMHSA-N 2 0 353.463 0.300 20 0 FCADRP O=C1[C@H]2C[N@@H+](C[C@]3(O)CCC[NH2+]CC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001580858184 1279053716 /nfs/dbraw/zinc/05/37/16/1279053716.db2.gz DOYBNIBOZVTMNP-QKLQHJQFSA-N 2 0 357.454 0.608 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001714493455 1287323225 /nfs/dbraw/zinc/32/32/25/1287323225.db2.gz UAVNOIHFZPJNKX-ZIAGYGMSSA-N 2 0 367.494 0.191 20 0 FCADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580863701 1279061963 /nfs/dbraw/zinc/06/19/63/1279061963.db2.gz UFPQPQXAGMKAIP-KRWDZBQOSA-N 2 0 359.536 0.893 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940524 1279148523 /nfs/dbraw/zinc/14/85/23/1279148523.db2.gz AUCRYAZNRIGGPF-MGPQQGTHSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948400 1279154415 /nfs/dbraw/zinc/15/44/15/1279154415.db2.gz SXMHWCQTXHKIHS-UHFFFAOYSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974073 1279174949 /nfs/dbraw/zinc/17/49/49/1279174949.db2.gz KUVNONBYOPITEL-KCPJHIHWSA-N 2 0 370.461 0.605 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990422 1279191893 /nfs/dbraw/zinc/19/18/93/1279191893.db2.gz QJKPIYIAUIZSQK-STQMWFEESA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990421 1279192167 /nfs/dbraw/zinc/19/21/67/1279192167.db2.gz QJKPIYIAUIZSQK-QWHCGFSZSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990021 1279192361 /nfs/dbraw/zinc/19/23/61/1279192361.db2.gz PAVDPEMMOIZELC-OLZOCXBDSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991458 1279194673 /nfs/dbraw/zinc/19/46/73/1279194673.db2.gz POBJQIICQLXCKQ-CYBMUJFWSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)C[NH+]2CCCC2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993193 1279197609 /nfs/dbraw/zinc/19/76/09/1279197609.db2.gz GNHANUNXIFOAEY-INIZCTEOSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993865 1279199638 /nfs/dbraw/zinc/19/96/38/1279199638.db2.gz IWEJXRMEBFEAGC-GFCCVEGCSA-N 2 0 356.434 0.004 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994990 1279203923 /nfs/dbraw/zinc/20/39/23/1279203923.db2.gz VEXYASVSBXWYPE-ZIAGYGMSSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996174 1279206784 /nfs/dbraw/zinc/20/67/84/1279206784.db2.gz WPYALRZDHIPYBI-AWEZNQCLSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996045 1279207121 /nfs/dbraw/zinc/20/71/21/1279207121.db2.gz UTWISCJJGUMQPQ-CHWSQXEVSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005708 1279222152 /nfs/dbraw/zinc/22/21/52/1279222152.db2.gz BEIKNKVQUODTNX-CYBMUJFWSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006294 1279224474 /nfs/dbraw/zinc/22/44/74/1279224474.db2.gz OMTBGTXTQKPVKU-IUODEOHRSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006134 1279224522 /nfs/dbraw/zinc/22/45/22/1279224522.db2.gz LKQYBNZJGGIQAF-UONOGXRCSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010180 1279236705 /nfs/dbraw/zinc/23/67/05/1279236705.db2.gz GPTVLGCDGNMQEW-JSGCOSHPSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NCC(C)(C)CN(C)C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010323 1279236804 /nfs/dbraw/zinc/23/68/04/1279236804.db2.gz JNVXABPMIISXRQ-UHFFFAOYSA-N 2 0 374.493 0.840 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022665 1279253605 /nfs/dbraw/zinc/25/36/05/1279253605.db2.gz GJTJETLXEUOLBM-ZDUSSCGKSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024405 1279254895 /nfs/dbraw/zinc/25/48/95/1279254895.db2.gz HQWRCHPPMRDVKF-AAEUAGOBSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024266 1279255250 /nfs/dbraw/zinc/25/52/50/1279255250.db2.gz DSJPHWJELQFILA-GFCCVEGCSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024975 1279256701 /nfs/dbraw/zinc/25/67/01/1279256701.db2.gz LXJKHKPWQHUOAW-WBMJQRKESA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(NCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025896 1279258378 /nfs/dbraw/zinc/25/83/78/1279258378.db2.gz IJKJHTVLAUZAAG-CQSZACIVSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028158 1279263323 /nfs/dbraw/zinc/26/33/23/1279263323.db2.gz IXEJDJBCPGESSL-UHFFFAOYSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028390 1279265113 /nfs/dbraw/zinc/26/51/13/1279265113.db2.gz UINDWDXWHSFNEW-LBPRGKRZSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034553 1279271784 /nfs/dbraw/zinc/27/17/84/1279271784.db2.gz RKRQIQYPZSUEFD-LBPRGKRZSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038627 1279274688 /nfs/dbraw/zinc/27/46/88/1279274688.db2.gz SGOKKQZKWRFCJO-IHRRRGAJSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038628 1279274915 /nfs/dbraw/zinc/27/49/15/1279274915.db2.gz SGOKKQZKWRFCJO-MGPQQGTHSA-N 2 0 370.461 0.250 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)CCCC2)CC[N@@H+]1C ZINC001715095089 1287344533 /nfs/dbraw/zinc/34/45/33/1287344533.db2.gz OLLDWWAVQJNDRX-OWCLPIDISA-N 2 0 371.547 0.780 20 0 FCADRP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001603459663 1287377531 /nfs/dbraw/zinc/37/75/31/1287377531.db2.gz XJLAVDUJCNFQEZ-CHWSQXEVSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001603477139 1287385018 /nfs/dbraw/zinc/38/50/18/1287385018.db2.gz ZBPHMFLUIZZLLC-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001603518906 1287401303 /nfs/dbraw/zinc/40/13/03/1287401303.db2.gz XICUNDJHQKHKSL-ZDUSSCGKSA-N 2 0 360.466 0.535 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603531442 1287411487 /nfs/dbraw/zinc/41/14/87/1287411487.db2.gz YCCHPAMRAFKMMH-CYBMUJFWSA-N 2 0 358.450 0.476 20 0 FCADRP Cc1nnsc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717318927 1287418255 /nfs/dbraw/zinc/41/82/55/1287418255.db2.gz OSIFVIZRKHWCFP-ZIAGYGMSSA-N 2 0 367.519 0.630 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582097776 1281053451 /nfs/dbraw/zinc/05/34/51/1281053451.db2.gz NFKLUZMVALGXKF-LBPRGKRZSA-N 2 0 361.475 0.715 20 0 FCADRP O=C(C[NH+]1CCCC1)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582100300 1281057046 /nfs/dbraw/zinc/05/70/46/1281057046.db2.gz DKFCFAYYROAUQN-UHFFFAOYSA-N 2 0 370.461 0.478 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582101005 1281058325 /nfs/dbraw/zinc/05/83/25/1281058325.db2.gz YYNYWDMVDYSVHJ-IYBDPMFKSA-N 2 0 355.446 0.699 20 0 FCADRP O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001582613106 1281806708 /nfs/dbraw/zinc/80/67/08/1281806708.db2.gz DJKJDLRERXTMFL-YDHLFZDLSA-N 2 0 368.445 0.085 20 0 FCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603919969 1287535242 /nfs/dbraw/zinc/53/52/42/1287535242.db2.gz DBWQDCGUXKZDBH-LRDDRELGSA-N 2 0 370.461 0.284 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198606 1287586652 /nfs/dbraw/zinc/58/66/52/1287586652.db2.gz OOSQNLPPEIXMOS-OLZOCXBDSA-N 2 0 360.466 0.721 20 0 FCADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001589417475 1282874778 /nfs/dbraw/zinc/87/47/78/1282874778.db2.gz GQORRWBSMHZTDK-CYBMUJFWSA-N 2 0 351.480 0.720 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716276 1282957916 /nfs/dbraw/zinc/95/79/16/1282957916.db2.gz GACKIRYTDXIHAY-QDLOVBKTSA-N 2 0 370.461 0.641 20 0 FCADRP CC(C)[C@H](C(=O)NCCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589764431 1282990321 /nfs/dbraw/zinc/99/03/21/1282990321.db2.gz XGLWFMQGEPVTEZ-OAHLLOKOSA-N 2 0 360.466 0.790 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589815890 1283049786 /nfs/dbraw/zinc/04/97/86/1283049786.db2.gz VWJKSDGKYKUBGA-CYBMUJFWSA-N 2 0 370.461 0.476 20 0 FCADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956968 1283146578 /nfs/dbraw/zinc/14/65/78/1283146578.db2.gz FBVSJYWQMSTBKJ-CZUORRHYSA-N 2 0 358.446 0.846 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590733552 1283766365 /nfs/dbraw/zinc/76/63/65/1283766365.db2.gz UAEMMWVEKDGQBP-HNNXBMFYSA-N 2 0 358.450 0.395 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001590734600 1283770287 /nfs/dbraw/zinc/77/02/87/1283770287.db2.gz CFSTXPQKKUXILK-CYBMUJFWSA-N 2 0 370.465 0.025 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001590734601 1283771520 /nfs/dbraw/zinc/77/15/20/1283771520.db2.gz CFSTXPQKKUXILK-ZDUSSCGKSA-N 2 0 370.465 0.025 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001683325877 1283943186 /nfs/dbraw/zinc/94/31/86/1283943186.db2.gz YSBYPAPNNRUVKY-GVDBMIGSSA-N 2 0 366.506 0.012 20 0 FCADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590981744 1284038764 /nfs/dbraw/zinc/03/87/64/1284038764.db2.gz NSVBGURTARJZAM-KRWDZBQOSA-N 2 0 369.473 0.995 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001591013027 1284072085 /nfs/dbraw/zinc/07/20/85/1284072085.db2.gz XWIQHDSWRLOVTI-UHFFFAOYSA-N 2 0 361.425 0.553 20 0 FCADRP C[NH+](C)CC1(C(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591012927 1284072567 /nfs/dbraw/zinc/07/25/67/1284072567.db2.gz FDSUTLVWOARPKY-ONEGZZNKSA-N 2 0 356.434 0.110 20 0 FCADRP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591012980 1284073913 /nfs/dbraw/zinc/07/39/13/1284073913.db2.gz OUFPKJKANOBMNZ-ARJAWSKDSA-N 2 0 369.473 0.971 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001591020409 1284075704 /nfs/dbraw/zinc/07/57/04/1284075704.db2.gz XDSGKKZGGPLEPL-UHFFFAOYSA-N 2 0 357.462 0.853 20 0 FCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172508 1284254090 /nfs/dbraw/zinc/25/40/90/1284254090.db2.gz VSKGQOSECJRCIV-IRXDYDNUSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175329 1284262476 /nfs/dbraw/zinc/26/24/76/1284262476.db2.gz LOOKPUWGVVKOMV-FOSCPCJNSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591176865 1284268551 /nfs/dbraw/zinc/26/85/51/1284268551.db2.gz WHZZSFWMKFEUJB-XIRDDKMYSA-N 2 0 369.473 0.945 20 0 FCADRP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591181868 1284285376 /nfs/dbraw/zinc/28/53/76/1284285376.db2.gz MDLYCGAIDGQRBX-AWEZNQCLSA-N 2 0 358.446 0.777 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186577 1284294198 /nfs/dbraw/zinc/29/41/98/1284294198.db2.gz UGXGRTTYYGDDNT-SFAKSCPVSA-N 2 0 370.461 0.642 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cnc2Cl)CC1 ZINC001591193727 1284314287 /nfs/dbraw/zinc/31/42/87/1284314287.db2.gz UXHIRVDMXYCZDM-UHFFFAOYSA-N 2 0 350.858 0.642 20 0 FCADRP C[NH2+]CCC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591218243 1284353871 /nfs/dbraw/zinc/35/38/71/1284353871.db2.gz MTUUDXOPNJPVHP-OAHLLOKOSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001591774339 1284896429 /nfs/dbraw/zinc/89/64/29/1284896429.db2.gz AICHRIJEZVSXHZ-NMEQGOOXSA-N 2 0 370.461 0.498 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)CCCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592032822 1285077649 /nfs/dbraw/zinc/07/76/49/1285077649.db2.gz FWDDNZYGPOESTH-AWEZNQCLSA-N 2 0 374.493 0.983 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592036319 1285080235 /nfs/dbraw/zinc/08/02/35/1285080235.db2.gz JQUZMCHKEABLJT-IYXRBSQSSA-N 2 0 370.461 0.345 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037390 1285923137 /nfs/dbraw/zinc/92/31/37/1285923137.db2.gz DIQCOOXLQZKURD-RHSMWYFYSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001593191116 1286033137 /nfs/dbraw/zinc/03/31/37/1286033137.db2.gz MVRQELHQPIJWQP-HAQNSBGRSA-N 2 0 373.486 0.761 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228508 1287076736 /nfs/dbraw/zinc/07/67/36/1287076736.db2.gz QLXGJASRMCFTIQ-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687706 1288052130 /nfs/dbraw/zinc/05/21/30/1288052130.db2.gz XCRZFXANSRZLGS-DZGCQCFKSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605734162 1288066728 /nfs/dbraw/zinc/06/67/28/1288066728.db2.gz YJWPCGCERUEKDE-UHFFFAOYSA-N 2 0 360.466 0.593 20 0 FCADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721595981 1288354152 /nfs/dbraw/zinc/35/41/52/1288354152.db2.gz HTKILHAQDRPRJX-ZMSDIMECSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCCCC3)CC2)CC[N@@H+]1C ZINC001723516812 1288424906 /nfs/dbraw/zinc/42/49/06/1288424906.db2.gz DLAGAXVZGJCWFU-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001606675902 1288434636 /nfs/dbraw/zinc/43/46/36/1288434636.db2.gz SWEKUNANFGOTFG-FVQHAEBGSA-N 2 0 367.457 0.413 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001607096081 1288659722 /nfs/dbraw/zinc/65/97/22/1288659722.db2.gz AANRYCPENLNRHE-IRXDYDNUSA-N 2 0 372.473 0.928 20 0 FCADRP OC[C@@H]1CC[N@H+](Cc2cc(C[NH+]3CC[C@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105219 1288663731 /nfs/dbraw/zinc/66/37/31/1288663731.db2.gz BOBPAFRKDQZVFE-GASCZTMLSA-N 2 0 372.473 0.495 20 0 FCADRP c1nn2cc(C[NH2+]CCCC[NH+]3CCOCC3)cnc2c1-c1nn[nH]n1 ZINC001607138917 1288671570 /nfs/dbraw/zinc/67/15/70/1288671570.db2.gz OGLHYYRZBPLNMJ-UHFFFAOYSA-N 2 0 357.422 0.111 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](CCC[C@@H](C)O)CC2)CC[N@@H+]1C ZINC001691933777 1289344303 /nfs/dbraw/zinc/34/43/03/1289344303.db2.gz QZOUAXOIQILFDW-CEXWTWQISA-N 2 0 368.566 0.954 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052781 1289376504 /nfs/dbraw/zinc/37/65/04/1289376504.db2.gz JQRLLHXHIOFYCU-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052782 1289376868 /nfs/dbraw/zinc/37/68/68/1289376868.db2.gz JQRLLHXHIOFYCU-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)CC)CC[C@@H]3C2)CC[N@@H+]1C ZINC001692061703 1289380493 /nfs/dbraw/zinc/38/04/93/1289380493.db2.gz GWWNHGDXSAPSED-VSZNYVQBSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001692097356 1289399031 /nfs/dbraw/zinc/39/90/31/1289399031.db2.gz JIXUUPOHNBTKTD-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP COCC[N@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001698026993 1289521558 /nfs/dbraw/zinc/52/15/58/1289521558.db2.gz JRYAUJOXKKNTIF-QGZVFWFLSA-N 2 0 366.510 0.323 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001699101371 1289546477 /nfs/dbraw/zinc/54/64/77/1289546477.db2.gz CGCSQUNMFORIPD-NQBHXWOUSA-N 2 0 368.507 0.610 20 0 FCADRP C[C@H](CC[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699101046 1289546544 /nfs/dbraw/zinc/54/65/44/1289546544.db2.gz AQNPMRHBMJERIP-MGPQQGTHSA-N 2 0 351.499 0.753 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1C ZINC001699261859 1289547496 /nfs/dbraw/zinc/54/74/96/1289547496.db2.gz SLKZYZZYKPURKS-DZEIUGAOSA-N 2 0 350.507 0.847 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC001699261856 1289548024 /nfs/dbraw/zinc/54/80/24/1289548024.db2.gz SLKZYZZYKPURKS-ANWGSAMYSA-N 2 0 350.507 0.847 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309250 1289549629 /nfs/dbraw/zinc/54/96/29/1289549629.db2.gz XJOQUNAVFOCFAS-ITVKQWQRSA-N 2 0 370.497 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001699363373 1289550522 /nfs/dbraw/zinc/55/05/22/1289550522.db2.gz QEKNHFUORLDNGK-HZSPNIEDSA-N 2 0 367.519 0.931 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001699403877 1289552165 /nfs/dbraw/zinc/55/21/65/1289552165.db2.gz QPAYGCKZINGKFS-CWRNSKLLSA-N 2 0 354.495 0.106 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCCN2CCCC2=O)C2CC2)CC[N@@H+]1C ZINC001699576350 1289558844 /nfs/dbraw/zinc/55/88/44/1289558844.db2.gz NEBFFKMZSWLAHU-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001699897892 1289574254 /nfs/dbraw/zinc/57/42/54/1289574254.db2.gz KTMJPJYGGOVETD-YQVWRLOYSA-N 2 0 363.506 0.512 20 0 FCADRP COC(=O)COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC001610907931 1289618412 /nfs/dbraw/zinc/61/84/12/1289618412.db2.gz ZZSIVAYCOPDALT-UHFFFAOYSA-N 2 0 351.447 0.804 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CCC(=O)N3CCC(O)CC3)C2)CC1 ZINC001616890439 1289798053 /nfs/dbraw/zinc/79/80/53/1289798053.db2.gz NLISNMAULYIVRO-HNNXBMFYSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001621720846 1290052810 /nfs/dbraw/zinc/05/28/10/1290052810.db2.gz SYVPVQSFWKQXLZ-UHFFFAOYSA-N 2 0 351.513 0.473 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001757364081 1290761203 /nfs/dbraw/zinc/76/12/03/1290761203.db2.gz ZTYZHFSDWFAEGD-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC1=O ZINC001648051561 1291098797 /nfs/dbraw/zinc/09/87/97/1291098797.db2.gz ZQKJOCBBOPGMEE-QYZOEREBSA-N 2 0 370.497 0.882 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843484 1291568085 /nfs/dbraw/zinc/56/80/85/1291568085.db2.gz UBAUBDBCQZXSMJ-BBWFWOEESA-N 2 0 352.523 0.975 20 0 FCADRP Cc1cc(NC(=O)NCCN2CC[NH+](C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC001659636812 1291641855 /nfs/dbraw/zinc/64/18/55/1291641855.db2.gz FSCLRAMYZIXGQN-UHFFFAOYSA-N 2 0 363.510 0.827 20 0 FCADRP C[NH+]1CCC(CNC(=O)N2CCC[N@H+](C)CC2)(N2CCOCC2)CC1 ZINC001686784171 1292957179 /nfs/dbraw/zinc/95/71/79/1292957179.db2.gz IFXWQBGLOUGAIE-UHFFFAOYSA-N 2 0 353.511 0.130 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001689033865 1294578592 /nfs/dbraw/zinc/57/85/92/1294578592.db2.gz BFAJQGRSWKCKRL-JKSUJKDBSA-N 2 0 351.495 0.274 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689072416 1294593723 /nfs/dbraw/zinc/59/37/23/1294593723.db2.gz BFDHUGKLAVWKCG-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689074598 1294595646 /nfs/dbraw/zinc/59/56/46/1294595646.db2.gz JOZYVKQZTYASNB-GVDBMIGSSA-N 2 0 368.522 0.306 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001689083857 1294601604 /nfs/dbraw/zinc/60/16/04/1294601604.db2.gz QODSWSLEDQDDCV-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001689425234 1294781457 /nfs/dbraw/zinc/78/14/57/1294781457.db2.gz VKBMLLBJEKDQDY-IIAWOOMASA-N 2 0 370.457 0.842 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](CC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001690060447 1294853237 /nfs/dbraw/zinc/85/32/37/1294853237.db2.gz WRWHUPQHDSOAKX-GUDVDZBRSA-N 2 0 366.550 0.877 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001690276932 1294862224 /nfs/dbraw/zinc/86/22/24/1294862224.db2.gz VGLLKINCOKFXIL-DDHJBXDOSA-N 2 0 352.464 0.054 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001690405725 1294868045 /nfs/dbraw/zinc/86/80/45/1294868045.db2.gz OLXHYCRNLKWPRM-BHYGNILZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCCc1ccsc1 ZINC001690576592 1294872565 /nfs/dbraw/zinc/87/25/65/1294872565.db2.gz DSWHSJJECDMTIM-SQWLQELKSA-N 2 0 366.531 0.841 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001691837715 1294935153 /nfs/dbraw/zinc/93/51/53/1294935153.db2.gz NFXAWIPCPMHNQI-IPYPFGDCSA-N 2 0 367.494 0.128 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164847050 720832687 /nfs/dbraw/zinc/83/26/87/720832687.db2.gz HVXJAKHUYZJNGU-CRAIPNDOSA-N 2 0 361.490 0.338 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc4c(n2)C[NH2+]C4)CC3)CC1 ZINC001164794496 721513054 /nfs/dbraw/zinc/51/30/54/721513054.db2.gz RKJQAXJVWQVWJD-UHFFFAOYSA-N 2 0 354.462 0.044 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924372 721870700 /nfs/dbraw/zinc/87/07/00/721870700.db2.gz LEBYKYVEHOBFBZ-QZTJIDSGSA-N 2 0 372.517 0.342 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(c1ncc3c(n1)CC[NH2+]C3)CCC2 ZINC001165000863 722251294 /nfs/dbraw/zinc/25/12/94/722251294.db2.gz VPDUYUBTLCOENI-UHFFFAOYSA-N 2 0 371.489 0.807 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077827 837614466 /nfs/dbraw/zinc/61/44/66/837614466.db2.gz MRXAJZOHADQLOJ-KFWWJZLASA-N 2 0 350.442 0.464 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070158647 837628376 /nfs/dbraw/zinc/62/83/76/837628376.db2.gz UHLADFNBQMHOQL-OAGGEKHMSA-N 2 0 360.487 0.976 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326881 837646495 /nfs/dbraw/zinc/64/64/95/837646495.db2.gz HFRSPHYOEMJNTG-XHSDSOJGSA-N 2 0 360.487 0.833 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071059937 837721197 /nfs/dbraw/zinc/72/11/97/837721197.db2.gz KOTHSEHHNDOYDZ-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP Cc1nccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)O)CC1 ZINC001071104481 837733790 /nfs/dbraw/zinc/73/37/90/837733790.db2.gz ZGGJORDNOCFZAR-XCRHUMRWSA-N 2 0 350.463 0.558 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCCO2)CC[N@@H+]1C ZINC001073611373 837779362 /nfs/dbraw/zinc/77/93/62/837779362.db2.gz VJYGCHGLFFAEFD-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171873 844089520 /nfs/dbraw/zinc/08/95/20/844089520.db2.gz OOIQWZVIMIMWOW-GJYPPUQNSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187772 836066596 /nfs/dbraw/zinc/06/65/96/836066596.db2.gz YPPKBXRXFMZENY-WBVHZDCISA-N 2 0 352.504 0.637 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279624 844130020 /nfs/dbraw/zinc/13/00/20/844130020.db2.gz SCSYDOLDZKYVKL-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284873 844134823 /nfs/dbraw/zinc/13/48/23/844134823.db2.gz CUPMMMWSOYCTKK-VCBZYWHSSA-N 2 0 350.507 0.728 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339785 844152241 /nfs/dbraw/zinc/15/22/41/844152241.db2.gz GJEHFCHNGMAUMA-NRUGXNMXSA-N 2 0 353.507 0.504 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101344843 844153450 /nfs/dbraw/zinc/15/34/50/844153450.db2.gz HDPFAJUYULPMFS-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368660 844162869 /nfs/dbraw/zinc/16/28/69/844162869.db2.gz GNCBNSJXOCBQSF-MDZRGWNJSA-N 2 0 355.523 0.752 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363948 844160353 /nfs/dbraw/zinc/16/03/53/844160353.db2.gz HSNAVYPMKFRBJH-FCEWJHQRSA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363187 844160392 /nfs/dbraw/zinc/16/03/92/844160392.db2.gz QCTMOYAPILJUCU-GJYPPUQNSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCNC(=S)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000751037955 836461349 /nfs/dbraw/zinc/46/13/49/836461349.db2.gz RZARMLYBCKVNLD-UHFFFAOYSA-N 2 0 357.568 0.639 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101400373 844174585 /nfs/dbraw/zinc/17/45/85/844174585.db2.gz TWYUXVQWXMYSEY-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101400066 844174714 /nfs/dbraw/zinc/17/47/14/844174714.db2.gz FGNDSECJDNHVPH-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP C[NH+]1CCC(N(CCO)C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000828754212 836546351 /nfs/dbraw/zinc/54/63/51/836546351.db2.gz RONMUDHQRRXFCS-UHFFFAOYSA-N 2 0 353.507 0.793 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405607 844176695 /nfs/dbraw/zinc/17/66/95/844176695.db2.gz GIVOINOYHLLQSL-APWZRJJASA-N 2 0 353.507 0.914 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101417616 844179163 /nfs/dbraw/zinc/17/91/63/844179163.db2.gz XYQCJRVRQAUJIW-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@]2(C)C1 ZINC001101432234 844184292 /nfs/dbraw/zinc/18/42/92/844184292.db2.gz IIBMARKUNUQELW-AOIWGVFYSA-N 2 0 353.507 0.914 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441038 844186494 /nfs/dbraw/zinc/18/64/94/844186494.db2.gz IZMNVLAEPPUEBU-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461864 844193359 /nfs/dbraw/zinc/19/33/59/844193359.db2.gz WXLJAQQWYUHSER-LMMKCTJWSA-N 2 0 353.507 0.772 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101444070 844188455 /nfs/dbraw/zinc/18/84/55/844188455.db2.gz XHAIGKKPGCFKHW-APWZRJJASA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)COCC[NH+](C)C)CCC2)CC[N@@H+]1C ZINC001063221472 836757228 /nfs/dbraw/zinc/75/72/28/836757228.db2.gz DNPZSNJEMJVBDY-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101474143 844198916 /nfs/dbraw/zinc/19/89/16/844198916.db2.gz JQUITQMXJWITHZ-MJGOQNOKSA-N 2 0 353.507 0.652 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477269 844202732 /nfs/dbraw/zinc/20/27/32/844202732.db2.gz LRNAXEIVCWOKDO-APWZRJJASA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815389 844277972 /nfs/dbraw/zinc/27/79/72/844277972.db2.gz DNNGOIRLCDGVEE-OAGGEKHMSA-N 2 0 371.547 0.590 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002938 838208302 /nfs/dbraw/zinc/20/83/02/838208302.db2.gz MNLVBHSEVHOXCS-RCCFBDPRSA-N 2 0 351.491 0.306 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975861 844356856 /nfs/dbraw/zinc/35/68/56/844356856.db2.gz DEPWMUJVWYCGOK-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128155 838751928 /nfs/dbraw/zinc/75/19/28/838751928.db2.gz ZJHFAXCRTNATAM-KZNAEPCWSA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128943 838753882 /nfs/dbraw/zinc/75/38/82/838753882.db2.gz LPRSHUCSGDEEBE-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001077299456 838887128 /nfs/dbraw/zinc/88/71/28/838887128.db2.gz CKYGDVVUXKYOBO-BRWVUGGUSA-N 2 0 351.491 0.591 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001077505216 839003982 /nfs/dbraw/zinc/00/39/82/839003982.db2.gz UULMXWDUGJFWPA-ZACQAIPSSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047647 844394380 /nfs/dbraw/zinc/39/43/80/844394380.db2.gz OHETWIONLVMSMZ-UNEWFSDZSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077777646 839152518 /nfs/dbraw/zinc/15/25/18/839152518.db2.gz UVDRMRFIUGIOHG-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405118 839457452 /nfs/dbraw/zinc/45/74/52/839457452.db2.gz FILPKCNXEQKMRK-RBSFLKMASA-N 2 0 367.519 0.894 20 0 FCADRP Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405117 839457734 /nfs/dbraw/zinc/45/77/34/839457734.db2.gz FILPKCNXEQKMRK-QLFBSQMISA-N 2 0 367.519 0.894 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079189140 839492167 /nfs/dbraw/zinc/49/21/67/839492167.db2.gz FJBKFFQACRJSNW-ARFHVFGLSA-N 2 0 350.438 0.535 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456302 839729454 /nfs/dbraw/zinc/72/94/54/839729454.db2.gz XWINPGBXXIKQPJ-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102330296 844467241 /nfs/dbraw/zinc/46/72/41/844467241.db2.gz NOYNJQWXGXPPCX-IIDMSEBBSA-N 2 0 352.523 0.878 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102366656 844476493 /nfs/dbraw/zinc/47/64/93/844476493.db2.gz MRMVQAWUFLZWCP-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369825 844477678 /nfs/dbraw/zinc/47/76/78/844477678.db2.gz IARQTRRAZCYLGM-GVDBMIGSSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080998650 839858207 /nfs/dbraw/zinc/85/82/07/839858207.db2.gz HTLKPMCEDKDFRU-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375749 844480427 /nfs/dbraw/zinc/48/04/27/844480427.db2.gz ZRJVDLZXSPLQCW-OWCLPIDISA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375521 844480525 /nfs/dbraw/zinc/48/05/25/844480525.db2.gz OBHXZFIXQSZYRG-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001081796245 840034633 /nfs/dbraw/zinc/03/46/33/840034633.db2.gz LMGBCPVREHGCHM-BRWVUGGUSA-N 2 0 357.470 0.805 20 0 FCADRP C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430532 844497279 /nfs/dbraw/zinc/49/72/79/844497279.db2.gz VMWYBTVOFKSYNH-FGTMMUONSA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433732 844497638 /nfs/dbraw/zinc/49/76/38/844497638.db2.gz DMHWUKXAYSVSIT-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202063 840235649 /nfs/dbraw/zinc/23/56/49/840235649.db2.gz CUXKYNHJXAUHNA-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480138 844520040 /nfs/dbraw/zinc/52/00/40/844520040.db2.gz YPJCUWGLDLFMBE-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290056 840280011 /nfs/dbraw/zinc/28/00/11/840280011.db2.gz HARGRIUKRMKWHH-CGTJXYLNSA-N 2 0 353.507 0.959 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)C1 ZINC001082328798 840313984 /nfs/dbraw/zinc/31/39/84/840313984.db2.gz LZQDEEOEHYKCMJ-BHUNQDJPSA-N 2 0 351.491 0.713 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CC1 ZINC001102492807 844528131 /nfs/dbraw/zinc/52/81/31/844528131.db2.gz HMNNZWAZEXTYSK-SJLPKXTDSA-N 2 0 355.523 0.800 20 0 FCADRP CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368863 840356209 /nfs/dbraw/zinc/35/62/09/840356209.db2.gz PKAKDTREGQZJBP-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102497156 844530543 /nfs/dbraw/zinc/53/05/43/844530543.db2.gz DEYMGBKRNLMQTM-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082450060 840416363 /nfs/dbraw/zinc/41/63/63/840416363.db2.gz UPGGKDPLVMMOFK-BMFZPTHFSA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082450128 840416523 /nfs/dbraw/zinc/41/65/23/840416523.db2.gz YNLNLGHYJFTLMK-BPLDGKMQSA-N 2 0 369.487 0.714 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082507381 840441421 /nfs/dbraw/zinc/44/14/21/840441421.db2.gz OKKPCULUMACZND-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082507382 840441539 /nfs/dbraw/zinc/44/15/39/840441539.db2.gz OKKPCULUMACZND-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082558371 840464890 /nfs/dbraw/zinc/46/48/90/840464890.db2.gz MXHIZNXUQWROET-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1=O ZINC001082557578 840464988 /nfs/dbraw/zinc/46/49/88/840464988.db2.gz QARTVQCPNRPJGZ-BZUAXINKSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513869 844544547 /nfs/dbraw/zinc/54/45/47/844544547.db2.gz DSYRIHMWUJYRHL-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102513814 844545191 /nfs/dbraw/zinc/54/51/91/844545191.db2.gz BZVKMSUENLXECP-HUUCEWRRSA-N 2 0 357.520 0.201 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082681585 840521629 /nfs/dbraw/zinc/52/16/29/840521629.db2.gz CJJZPWDZWMWKTH-MGPQQGTHSA-N 2 0 350.463 0.103 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082705580 840532260 /nfs/dbraw/zinc/53/22/60/840532260.db2.gz NILSUZNTCQBKRK-LTIDMASMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082743991 840544559 /nfs/dbraw/zinc/54/45/59/840544559.db2.gz MUQCPNPAKDKLEZ-HUUCEWRRSA-N 2 0 351.495 0.180 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001102524778 844553489 /nfs/dbraw/zinc/55/34/89/844553489.db2.gz VWXVAHWGXMNNCR-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102525742 844553658 /nfs/dbraw/zinc/55/36/58/844553658.db2.gz SNRGWDBQRPYUBZ-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082822335 840574674 /nfs/dbraw/zinc/57/46/74/840574674.db2.gz YRCUUGWFMBSMRY-HZPDHXFCSA-N 2 0 351.495 0.180 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923265 840603290 /nfs/dbraw/zinc/60/32/90/840603290.db2.gz ARGGCUHJXMMJEG-IIAWOOMASA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001082921735 840603490 /nfs/dbraw/zinc/60/34/90/840603490.db2.gz DIZJKPWAUCGLMK-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923258 840603735 /nfs/dbraw/zinc/60/37/35/840603735.db2.gz ABBNSAZSTYVSJQ-CKEIUWERSA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082941641 840615624 /nfs/dbraw/zinc/61/56/24/840615624.db2.gz DFDSHVYVGFSTOI-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083230451 840816285 /nfs/dbraw/zinc/81/62/85/840816285.db2.gz AGKNBRQIHHRJEF-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083455414 841021412 /nfs/dbraw/zinc/02/14/12/841021412.db2.gz BXWSHCBMRCHNML-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3scnc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083474984 841050201 /nfs/dbraw/zinc/05/02/01/841050201.db2.gz KXMKYBHLZYCOQM-JJXSEGSLSA-N 2 0 366.531 0.886 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612939 844601482 /nfs/dbraw/zinc/60/14/82/844601482.db2.gz DUTGHUHTZDZQEY-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719848 841353616 /nfs/dbraw/zinc/35/36/16/841353616.db2.gz ZAXSLCTWIFMGKM-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083749590 841391696 /nfs/dbraw/zinc/39/16/96/841391696.db2.gz HPMHYTUBHQFIBV-KURKYZTESA-N 2 0 353.507 0.431 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781323 841428295 /nfs/dbraw/zinc/42/82/95/841428295.db2.gz BYJBTGJGBVRUKH-NXHRZFHOSA-N 2 0 353.507 0.696 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001083833480 841478293 /nfs/dbraw/zinc/47/82/93/841478293.db2.gz DILXFIFGBPIOLU-HIEASXQVSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3COC(C)(C)O3)C2)C1=O ZINC001275813109 861207534 /nfs/dbraw/zinc/20/75/34/861207534.db2.gz NXRUBHWDKNOQIB-KSSFIOAISA-N 2 0 353.463 0.541 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275833628 861219591 /nfs/dbraw/zinc/21/95/91/861219591.db2.gz LSDVXAZCZHHCFG-LJQANCHMSA-N 2 0 351.491 0.668 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001084091981 841700448 /nfs/dbraw/zinc/70/04/48/841700448.db2.gz ZSKQBPDFVUBFCQ-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275880151 861246912 /nfs/dbraw/zinc/24/69/12/861246912.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 2 0 352.523 0.441 20 0 FCADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971326 841973761 /nfs/dbraw/zinc/97/37/61/841973761.db2.gz YUDVWGNUDPZXHE-ZACQAIPSSA-N 2 0 353.507 0.648 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)CC1 ZINC001085319811 842076715 /nfs/dbraw/zinc/07/67/15/842076715.db2.gz PMGLOYNTVMYFSQ-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001085423521 842098621 /nfs/dbraw/zinc/09/86/21/842098621.db2.gz UEDLNIUATQZKEP-GVDBMIGSSA-N 2 0 371.547 0.924 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090994 842119109 /nfs/dbraw/zinc/11/91/09/842119109.db2.gz CBQDLOPGCKXGPF-UHDSXZAQSA-N 2 0 371.547 0.636 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001086090880 842119604 /nfs/dbraw/zinc/11/96/04/842119604.db2.gz VXCPZICLUMGJNM-BPKGMFCQSA-N 2 0 350.507 0.727 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001086793744 842174784 /nfs/dbraw/zinc/17/47/84/842174784.db2.gz JULKHZIBACISOR-ZMSDIMECSA-N 2 0 371.547 0.637 20 0 FCADRP CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001086793625 842174845 /nfs/dbraw/zinc/17/48/45/842174845.db2.gz DEADHUNXBIIFIR-UAGQMJEPSA-N 2 0 350.507 0.824 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083478 842276337 /nfs/dbraw/zinc/27/63/37/842276337.db2.gz HGJVITYJKDOKSZ-RRFJBIMHSA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087100353 842289632 /nfs/dbraw/zinc/28/96/32/842289632.db2.gz PSVFCOLHXHAEHY-RRFJBIMHSA-N 2 0 367.519 0.751 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001276048671 861304286 /nfs/dbraw/zinc/30/42/86/861304286.db2.gz GJPYSLBVPYQPGC-JKSUJKDBSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087712234 842411803 /nfs/dbraw/zinc/41/18/03/842411803.db2.gz WKZAMZNXCZDTPR-BHYGNILZSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCCC1=O ZINC001087712386 842412976 /nfs/dbraw/zinc/41/29/76/842412976.db2.gz GIYLGNYOEGCHCJ-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994966 842494100 /nfs/dbraw/zinc/49/41/00/842494100.db2.gz MAMXVTWOYNBBPK-XHSDSOJGSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992726 842494795 /nfs/dbraw/zinc/49/47/95/842494795.db2.gz IOXYWROFPDMVFU-OAGGEKHMSA-N 2 0 350.507 0.728 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992319 842494971 /nfs/dbraw/zinc/49/49/71/842494971.db2.gz PBUGKBAPCURBNC-ZACQAIPSSA-N 2 0 350.507 0.491 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023011 842507319 /nfs/dbraw/zinc/50/73/19/842507319.db2.gz KBWQSIXUBNONDC-IXDOHACOSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109434 842534410 /nfs/dbraw/zinc/53/44/10/842534410.db2.gz FLGITADSEYFIIB-VYDXJSESSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088939362 842723118 /nfs/dbraw/zinc/72/31/18/842723118.db2.gz LRPHSPZDSCOUKS-CVEARBPZSA-N 2 0 351.495 0.323 20 0 FCADRP COCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942074 842776440 /nfs/dbraw/zinc/77/64/40/842776440.db2.gz POXGTWMEKCGANG-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754516 843088507 /nfs/dbraw/zinc/08/85/07/843088507.db2.gz SJXLNUSXDNIFOH-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022279 843143176 /nfs/dbraw/zinc/14/31/76/843143176.db2.gz RBSAKLXGSMRUKB-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145598 843164356 /nfs/dbraw/zinc/16/43/56/843164356.db2.gz PCCYHXVRCVBQIQ-MDZRGWNJSA-N 2 0 353.507 0.912 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303212 843183435 /nfs/dbraw/zinc/18/34/35/843183435.db2.gz ZJQTYMYVAQEKRL-AYBZRNKSSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276326246 861418657 /nfs/dbraw/zinc/41/86/57/861418657.db2.gz NRTQQFHISICCAU-BEFAXECRSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093960524 843496829 /nfs/dbraw/zinc/49/68/29/843496829.db2.gz GXFLZXVGXADZQT-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094043988 843507570 /nfs/dbraw/zinc/50/75/70/843507570.db2.gz HCTXTHXCYKVTGK-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094131136 843519173 /nfs/dbraw/zinc/51/91/73/843519173.db2.gz POXFHWDENSKEAG-BRWVUGGUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001094137833 843521587 /nfs/dbraw/zinc/52/15/87/843521587.db2.gz YTOGGZYMKKFYNJ-ZIAGYGMSSA-N 2 0 367.519 0.833 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001094136926 843521876 /nfs/dbraw/zinc/52/18/76/843521876.db2.gz CYJJTVDEYLUJMW-ZIAGYGMSSA-N 2 0 367.519 0.833 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094169873 843524889 /nfs/dbraw/zinc/52/48/89/843524889.db2.gz ZUCYHWDTCKITNC-OWCLPIDISA-N 2 0 369.531 0.201 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1 ZINC001094224426 843532422 /nfs/dbraw/zinc/53/24/22/843532422.db2.gz KOLSUCYAKMELHJ-RBSFLKMASA-N 2 0 367.519 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094221225 843532776 /nfs/dbraw/zinc/53/27/76/843532776.db2.gz YTIUEODHBKGUOQ-NVXWUHKLSA-N 2 0 371.547 0.591 20 0 FCADRP COCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276357702 861429432 /nfs/dbraw/zinc/42/94/32/861429432.db2.gz PRHLWRCGOYVFRB-QGZVFWFLSA-N 2 0 352.523 0.489 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780862 844646267 /nfs/dbraw/zinc/64/62/67/844646267.db2.gz RQMRQEHPROMGIY-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)CC[NH+]1C ZINC001103003375 844682736 /nfs/dbraw/zinc/68/27/36/844682736.db2.gz NQZCEKAKBKWCDF-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398397 844751004 /nfs/dbraw/zinc/75/10/04/844751004.db2.gz QULIHJSIJPXXIO-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497505 844768341 /nfs/dbraw/zinc/76/83/41/844768341.db2.gz JOFCYYWZYVEBTG-NXHRZFHOSA-N 2 0 355.523 0.800 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598537 844785970 /nfs/dbraw/zinc/78/59/70/844785970.db2.gz QODOGRFRTQAXBT-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718928 844806690 /nfs/dbraw/zinc/80/66/90/844806690.db2.gz KQCGLKGOBTYTAI-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718753 844807764 /nfs/dbraw/zinc/80/77/64/844807764.db2.gz DDTBEBMOMXTMBF-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751752 844814746 /nfs/dbraw/zinc/81/47/46/844814746.db2.gz OXPUKYKXKVUPGZ-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001103999506 844851285 /nfs/dbraw/zinc/85/12/85/844851285.db2.gz ASTIXOICGXRLAI-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210826 844877477 /nfs/dbraw/zinc/87/74/77/844877477.db2.gz CUYFQNFWJXNYEA-QBPKDAKJSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001104210917 844877588 /nfs/dbraw/zinc/87/75/88/844877588.db2.gz ISOSXGVKYWFDGR-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104288422 844890339 /nfs/dbraw/zinc/89/03/39/844890339.db2.gz ZTRPMSRCGIRNHU-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104290479 844891074 /nfs/dbraw/zinc/89/10/74/844891074.db2.gz AHWLLLNDSGJEMQ-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)CC1 ZINC001276636136 861508445 /nfs/dbraw/zinc/50/84/45/861508445.db2.gz JQGRSXOIKNRBBU-LJQANCHMSA-N 2 0 350.507 0.480 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC001104322364 844893997 /nfs/dbraw/zinc/89/39/97/844893997.db2.gz DVSWWVHAEIMOPB-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP C[NH+]1CCN(CCC[NH+]2CCC3(CCN(C4COC4)C3=O)CC2)CC1 ZINC001276637193 861511156 /nfs/dbraw/zinc/51/11/56/861511156.db2.gz XQZUNJLSKFETLW-UHFFFAOYSA-N 2 0 350.507 0.337 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104595439 844923168 /nfs/dbraw/zinc/92/31/68/844923168.db2.gz SNQMAQKEXVTCPR-HZSPNIEDSA-N 2 0 350.463 0.903 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621157 844926855 /nfs/dbraw/zinc/92/68/55/844926855.db2.gz ANKPSEPMNDGIPJ-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625539 844928083 /nfs/dbraw/zinc/92/80/83/844928083.db2.gz RNXMQIYABXIMEX-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1CC[NH2+]CCCO ZINC001104782171 844941449 /nfs/dbraw/zinc/94/14/49/844941449.db2.gz OAKYJWSHHMNWRA-HZPDHXFCSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001104847259 844951241 /nfs/dbraw/zinc/95/12/41/844951241.db2.gz UAAJIXVKFZJIRH-RBSFLKMASA-N 2 0 354.495 0.045 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104912672 844959722 /nfs/dbraw/zinc/95/97/22/844959722.db2.gz ZFQAXLRXHSMDED-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001104958366 844962839 /nfs/dbraw/zinc/96/28/39/844962839.db2.gz RXQLVHOWJJUPCX-MDZRGWNJSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC(N)=O)CCC2)CC[N@@H+]1C ZINC001105539719 844987117 /nfs/dbraw/zinc/98/71/17/844987117.db2.gz OCBLGGVALWCEPQ-BZUAXINKSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001105945846 845065445 /nfs/dbraw/zinc/06/54/45/845065445.db2.gz GMQOOASUIFBJNU-OAGGEKHMSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148232 845114953 /nfs/dbraw/zinc/11/49/53/845114953.db2.gz JSVSIMHDZMUCAC-QBPKDAKJSA-N 2 0 352.523 0.878 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106150914 845115697 /nfs/dbraw/zinc/11/56/97/845115697.db2.gz HFLUHJFJROHMOU-WCXIOVBPSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)[NH+](C)C ZINC001106282021 845148021 /nfs/dbraw/zinc/14/80/21/845148021.db2.gz PQBWBDRWGZENPS-OIISXLGYSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106588246 845201155 /nfs/dbraw/zinc/20/11/55/845201155.db2.gz MQFDBFZSDHHVQD-UKRRQHHQSA-N 2 0 371.503 0.684 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588014 845201608 /nfs/dbraw/zinc/20/16/08/845201608.db2.gz AGQXRCIIOWFPKG-FVQBIDKESA-N 2 0 353.463 0.646 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599602 845202459 /nfs/dbraw/zinc/20/24/59/845202459.db2.gz NYVGOKRSCZXSJA-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1C ZINC001106598064 845202673 /nfs/dbraw/zinc/20/26/73/845202673.db2.gz WODXYTXAIBMIIA-HUUCEWRRSA-N 2 0 350.511 0.903 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621256 845206708 /nfs/dbraw/zinc/20/67/08/845206708.db2.gz ALKLQDMSRWSDDN-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621312 845207003 /nfs/dbraw/zinc/20/70/03/845207003.db2.gz DLLBKHGTJRGBCQ-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001106673369 845221438 /nfs/dbraw/zinc/22/14/38/845221438.db2.gz WRPFBPFGDKKSGD-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106674101 845223395 /nfs/dbraw/zinc/22/33/95/845223395.db2.gz RRMKIEQSMXNWKY-OAGGEKHMSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106729763 845235742 /nfs/dbraw/zinc/23/57/42/845235742.db2.gz XSHKHDSBNRFGTB-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106779342 845250652 /nfs/dbraw/zinc/25/06/52/845250652.db2.gz JZQKBBLFIZWQFZ-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001106810469 845257656 /nfs/dbraw/zinc/25/76/56/845257656.db2.gz AMCVVYKHSXSOKE-IIAWOOMASA-N 2 0 354.495 0.045 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCC(=O)OC(C)(C)C)C2)OCC1=O ZINC001276708260 861549423 /nfs/dbraw/zinc/54/94/23/861549423.db2.gz JJXULPXDZMFKLN-GOSISDBHSA-N 2 0 355.479 0.583 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOCC(F)F ZINC001106880672 845277499 /nfs/dbraw/zinc/27/74/99/845277499.db2.gz OJVIEHGVDDBIEA-ZIAGYGMSSA-N 2 0 351.438 0.530 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106910611 845283885 /nfs/dbraw/zinc/28/38/85/845283885.db2.gz GKHRAZYADHCGHN-HUUCEWRRSA-N 2 0 351.499 0.609 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106906042 845285050 /nfs/dbraw/zinc/28/50/50/845285050.db2.gz SXMYOCAOMKBDDA-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106982404 845299813 /nfs/dbraw/zinc/29/98/13/845299813.db2.gz JFKMVJMDOGKNDP-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107036651 845316033 /nfs/dbraw/zinc/31/60/33/845316033.db2.gz OLAOMHWUGRQJQM-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039421 845316929 /nfs/dbraw/zinc/31/69/29/845316929.db2.gz RCRCZGNHLZWBDG-HUUCEWRRSA-N 2 0 351.499 0.778 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449647 845374531 /nfs/dbraw/zinc/37/45/31/845374531.db2.gz RFHDCEUBVSXXOB-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001107546449 845396186 /nfs/dbraw/zinc/39/61/86/845396186.db2.gz CREIIFUBHXUFFC-GPMSIDNRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107582550 845403387 /nfs/dbraw/zinc/40/33/87/845403387.db2.gz KEZXIUPAELLGJT-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109396811 845643975 /nfs/dbraw/zinc/64/39/75/845643975.db2.gz KBMNZXHGIWOBOO-BDXSIMOUSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109653950 845705135 /nfs/dbraw/zinc/70/51/35/845705135.db2.gz OQEDQWGDBFZMFT-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109655122 845705229 /nfs/dbraw/zinc/70/52/29/845705229.db2.gz HSYOFNNXSPSMHO-ILXRZTDVSA-N 2 0 350.463 0.199 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109798234 845737480 /nfs/dbraw/zinc/73/74/80/845737480.db2.gz AVZRMDJYRYKGFH-VSZNYVQBSA-N 2 0 353.507 0.980 20 0 FCADRP CCS(=O)(=O)CC[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276772693 861600204 /nfs/dbraw/zinc/60/02/04/861600204.db2.gz RISBLTXGZDOSRU-KRWDZBQOSA-N 2 0 359.536 0.687 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001109932929 845762548 /nfs/dbraw/zinc/76/25/48/845762548.db2.gz ZJZRJLSGHGEBTP-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F ZINC001109979239 845771176 /nfs/dbraw/zinc/77/11/76/845771176.db2.gz XVDRPMMEHXIDFG-RFGFWPKPSA-N 2 0 367.412 0.599 20 0 FCADRP COCCOCN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794385 861610431 /nfs/dbraw/zinc/61/04/31/861610431.db2.gz IQEPZFQEGLWVAR-QAPCUYQASA-N 2 0 357.495 0.280 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862195 845985811 /nfs/dbraw/zinc/98/58/11/845985811.db2.gz BUABRVIPABASQL-VQHPVUNQSA-N 2 0 353.507 0.980 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820131 861631431 /nfs/dbraw/zinc/63/14/31/861631431.db2.gz YRWWFJDUFPTQFO-KDOFPFPSSA-N 2 0 355.479 0.318 20 0 FCADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C(=O)OC(C)(C)C ZINC001276819086 861629870 /nfs/dbraw/zinc/62/98/70/861629870.db2.gz SXMGSLOWHCYXHA-KFWWJZLASA-N 2 0 355.479 0.316 20 0 FCADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276825505 861634817 /nfs/dbraw/zinc/63/48/17/861634817.db2.gz UNKNJISFGHWWLE-QAPCUYQASA-N 2 0 350.463 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001111233284 846065680 /nfs/dbraw/zinc/06/56/80/846065680.db2.gz LDGNCQYMBKUVAA-OAGGEKHMSA-N 2 0 374.551 0.379 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854558 846232234 /nfs/dbraw/zinc/23/22/34/846232234.db2.gz RPZORERMHVIMPN-VCBZYWHSSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111857874 846233080 /nfs/dbraw/zinc/23/30/80/846233080.db2.gz CRAWUFBVGLSECN-IYOUNJFTSA-N 2 0 350.463 0.104 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001111864279 846234817 /nfs/dbraw/zinc/23/48/17/846234817.db2.gz IOEQXERVEQEJEN-KXBFYZLASA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001111952619 846274028 /nfs/dbraw/zinc/27/40/28/846274028.db2.gz RFHGPBZYBZZDQV-YJBOKZPZSA-N 2 0 351.495 0.324 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001112009691 846294941 /nfs/dbraw/zinc/29/49/41/846294941.db2.gz PFIXEAYWPDCZEA-DEYYWGMASA-N 2 0 350.463 0.103 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001112120089 846398599 /nfs/dbraw/zinc/39/85/99/846398599.db2.gz CGAHMZMXMQGVHH-FDYHWXHSSA-N 2 0 355.401 0.313 20 0 FCADRP CC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276898796 861676516 /nfs/dbraw/zinc/67/65/16/861676516.db2.gz CZBDREBLAWXNKF-CGTJXYLNSA-N 2 0 350.507 0.667 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194216 846452915 /nfs/dbraw/zinc/45/29/15/846452915.db2.gz SMFCNLLXUAUXBB-YNEHKIRRSA-N 2 0 355.401 0.578 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112198216 846456891 /nfs/dbraw/zinc/45/68/91/846456891.db2.gz HZNGPXNVWLWIIN-CHWSQXEVSA-N 2 0 355.401 0.316 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112198532 846456967 /nfs/dbraw/zinc/45/69/67/846456967.db2.gz ZWWQLJOWECPUPX-CHWSQXEVSA-N 2 0 362.400 0.599 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112198107 846457082 /nfs/dbraw/zinc/45/70/82/846457082.db2.gz AWDNJRCIEAEBAW-YNEHKIRRSA-N 2 0 366.428 0.784 20 0 FCADRP CC(=O)[C@@H](C)N1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901317 861679417 /nfs/dbraw/zinc/67/94/17/861679417.db2.gz PLOVKPRWTPFTLM-VQIMIIECSA-N 2 0 350.507 0.668 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112284908 846488059 /nfs/dbraw/zinc/48/80/59/846488059.db2.gz DSMMLADPSMXCTI-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112380779 846499047 /nfs/dbraw/zinc/49/90/47/846499047.db2.gz YUNDLUDNRGIEHN-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112436829 846503898 /nfs/dbraw/zinc/50/38/98/846503898.db2.gz IQJLXJFEIDYTQU-LPHOPBHVSA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522868 846513969 /nfs/dbraw/zinc/51/39/69/846513969.db2.gz ROFHOKOAIUPIPH-LPHOPBHVSA-N 2 0 352.523 0.929 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112523019 846514178 /nfs/dbraw/zinc/51/41/78/846514178.db2.gz YIZFRJVADWDMMR-ALKREAHSSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2)C(=O)NC1CC1 ZINC001112522964 846514349 /nfs/dbraw/zinc/51/43/49/846514349.db2.gz WGOYSKFHECWUQP-DOXZYTNZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112529611 846516520 /nfs/dbraw/zinc/51/65/20/846516520.db2.gz HUWMLFAKIBJIIX-AOIWGVFYSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2)C(N)=O ZINC001112540493 846518759 /nfs/dbraw/zinc/51/87/59/846518759.db2.gz ZQEVXVQHBYRYKN-QOKNQOGYSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112548727 846521494 /nfs/dbraw/zinc/52/14/94/846521494.db2.gz OFQRBLSWTHSSNN-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001112552901 846522572 /nfs/dbraw/zinc/52/25/72/846522572.db2.gz VEDRZGSFUNRTIB-LPHOPBHVSA-N 2 0 353.507 0.962 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112566127 846525104 /nfs/dbraw/zinc/52/51/04/846525104.db2.gz MBUDCQDVJDBNRY-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112578648 846529066 /nfs/dbraw/zinc/52/90/66/846529066.db2.gz YQNMJAGVEFMTDR-VYDXJSESSA-N 2 0 357.520 0.201 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2)C(N)=O ZINC001112585059 846532183 /nfs/dbraw/zinc/53/21/83/846532183.db2.gz XQBXHZWMNPWICE-BXWFABGCSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276960009 861707364 /nfs/dbraw/zinc/70/73/64/861707364.db2.gz NDHJBCLKEQFJAR-SJORKVTESA-N 2 0 352.523 0.223 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714334 846744682 /nfs/dbraw/zinc/74/46/82/846744682.db2.gz DFQVOZWNOAMQIV-KBPBESRZSA-N 2 0 350.467 0.182 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001117091179 846884116 /nfs/dbraw/zinc/88/41/16/846884116.db2.gz AJVVTWHMDUYJRK-GOEBONIOSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001117972302 847235737 /nfs/dbraw/zinc/23/57/37/847235737.db2.gz SHADIKBDVSRDKE-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118035614 847256766 /nfs/dbraw/zinc/25/67/66/847256766.db2.gz RXIDTRBWUJVHDA-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119481898 847858125 /nfs/dbraw/zinc/85/81/25/847858125.db2.gz ANTHDSHZLSPMFR-ULQDDVLXSA-N 2 0 353.511 0.162 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001120496895 848221205 /nfs/dbraw/zinc/22/12/05/848221205.db2.gz MXAXILSYJUQBEE-OAHLLOKOSA-N 2 0 352.431 0.259 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001120582607 848248381 /nfs/dbraw/zinc/24/83/81/848248381.db2.gz JOZHPOHXDMXHRA-MRXNPFEDSA-N 2 0 354.495 0.555 20 0 FCADRP CCCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133870 848321344 /nfs/dbraw/zinc/32/13/44/848321344.db2.gz JHMOAFFRPCMTPK-ITFIPKOWSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)C(=O)N(C)C ZINC001121133609 848321540 /nfs/dbraw/zinc/32/15/40/848321540.db2.gz DZSKJBVOOHBSRA-VBEFQAESSA-N 2 0 350.507 0.820 20 0 FCADRP [NH3+]C[C@@H](O)CNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001122072105 848443723 /nfs/dbraw/zinc/44/37/23/848443723.db2.gz SFWZKEDFLLVHJY-CYBMUJFWSA-N 2 0 356.264 0.506 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265411 848479417 /nfs/dbraw/zinc/47/94/17/848479417.db2.gz NCGTUZXEPNSKDL-UHFFFAOYSA-N 2 0 363.487 0.918 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362145 848498809 /nfs/dbraw/zinc/49/88/09/848498809.db2.gz OHJKHEDUSMVQCH-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659805 848731495 /nfs/dbraw/zinc/73/14/95/848731495.db2.gz LUPIRAAZQSZMMI-GZBFAFLISA-N 2 0 352.504 0.799 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)c2ccco2)CC[N@@H+]1C ZINC001127701050 848732710 /nfs/dbraw/zinc/73/27/10/848732710.db2.gz GDMUGKGPLYZJPD-SOUVJXGZSA-N 2 0 350.463 0.893 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049519 848799226 /nfs/dbraw/zinc/79/92/26/848799226.db2.gz ZPMCQTBRXOHTLD-CABCVRRESA-N 2 0 350.467 0.140 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204777 848818028 /nfs/dbraw/zinc/81/80/28/848818028.db2.gz JOCDRJNCDOGHGC-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129204768 848818532 /nfs/dbraw/zinc/81/85/32/848818532.db2.gz JGLLKXWJRKFPAE-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894897 848910162 /nfs/dbraw/zinc/91/01/62/848910162.db2.gz WYISDFKIRHUSNC-CABCVRRESA-N 2 0 350.467 0.140 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994256 848927805 /nfs/dbraw/zinc/92/78/05/848927805.db2.gz DGJZQBFWNZUQCF-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011978 848930686 /nfs/dbraw/zinc/93/06/86/848930686.db2.gz HKRUPNFJLYQYTP-CABCVRRESA-N 2 0 352.483 0.244 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC1 ZINC001130028344 848933361 /nfs/dbraw/zinc/93/33/61/848933361.db2.gz OXIIPGQQYOTMJJ-CVEARBPZSA-N 2 0 352.458 0.711 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075583 848939863 /nfs/dbraw/zinc/93/98/63/848939863.db2.gz VOLSTGMJABEYLI-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123369 848947464 /nfs/dbraw/zinc/94/74/64/848947464.db2.gz OVYVSAMBVMIRSX-UPJWGTAASA-N 2 0 360.384 0.524 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+](C)C)[nH]1 ZINC001130232460 848981759 /nfs/dbraw/zinc/98/17/59/848981759.db2.gz IFGFNHMURNSMGB-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234575 848981988 /nfs/dbraw/zinc/98/19/88/848981988.db2.gz BAZHGAMZKBGAPH-KBPBESRZSA-N 2 0 352.483 0.491 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001130237994 848983112 /nfs/dbraw/zinc/98/31/12/848983112.db2.gz NOZZUCVOUJJJIF-IHRRRGAJSA-N 2 0 352.483 0.633 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130242122 848984407 /nfs/dbraw/zinc/98/44/07/848984407.db2.gz HBEDSGJLVQIZJT-KBPBESRZSA-N 2 0 352.483 0.633 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130244937 848986821 /nfs/dbraw/zinc/98/68/21/848986821.db2.gz RYJQPMOKUKMIBY-STQMWFEESA-N 2 0 356.446 0.194 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001130291169 848996869 /nfs/dbraw/zinc/99/68/69/848996869.db2.gz ZURFZQFFMZLJTB-APWZRJJASA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1)[NH+](C)C ZINC001130674695 849026443 /nfs/dbraw/zinc/02/64/43/849026443.db2.gz AUPJNBUKPBVTGM-UAGQMJEPSA-N 2 0 351.495 0.681 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737154 849030882 /nfs/dbraw/zinc/03/08/82/849030882.db2.gz VEHSNNNMPXYJHV-HLLBOEOZSA-N 2 0 351.495 0.679 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130820360 849049405 /nfs/dbraw/zinc/04/94/05/849049405.db2.gz UZUUNFFFKBEFIM-UONOGXRCSA-N 2 0 352.483 0.981 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001131064439 849075798 /nfs/dbraw/zinc/07/57/98/849075798.db2.gz KTDNGHRECZNLCM-BFYDXBDKSA-N 2 0 351.495 0.273 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131059620 849076072 /nfs/dbraw/zinc/07/60/72/849076072.db2.gz AKXFPFWUABHNSY-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131101370 849079552 /nfs/dbraw/zinc/07/95/52/849079552.db2.gz XVZIHWMPPWZFIS-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564365 849123650 /nfs/dbraw/zinc/12/36/50/849123650.db2.gz JIXUDGBJRAXWHB-LXZKKBNFSA-N 2 0 354.495 0.058 20 0 FCADRP C[N@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)CC(C)(C)C ZINC001131564709 849123706 /nfs/dbraw/zinc/12/37/06/849123706.db2.gz RJFUGTMEPSFNBB-AEFFLSMTSA-N 2 0 355.523 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131588166 849127826 /nfs/dbraw/zinc/12/78/26/849127826.db2.gz VBGLNLHLPKCKTK-UNEWFSDZSA-N 2 0 354.495 0.188 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C4C[NH+](C)C4)C3)O2)CC1 ZINC001142594421 849453002 /nfs/dbraw/zinc/45/30/02/849453002.db2.gz LANQZHVBJDUUDE-IEBWSBKVSA-N 2 0 350.507 0.336 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001142629638 849456694 /nfs/dbraw/zinc/45/66/94/849456694.db2.gz UGCWHYQOWORSMW-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP CCOC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2ccnc2)CC1 ZINC001277718572 862028856 /nfs/dbraw/zinc/02/88/56/862028856.db2.gz GSHNXIUSWVJNLK-HOTGVXAUSA-N 2 0 350.463 0.499 20 0 FCADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734455 849646377 /nfs/dbraw/zinc/64/63/77/849646377.db2.gz XVFGDAVZPPDLMW-IXDOHACOSA-N 2 0 357.495 0.197 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCN2CCNC2=O)CC[N@@H+]1C ZINC001153501121 849749539 /nfs/dbraw/zinc/74/95/39/849749539.db2.gz FPCKZNSLOKKBAE-OWCLPIDISA-N 2 0 353.511 0.569 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1nc(Cl)nc2c1C[N@H+](C)CC2 ZINC001155083556 849829114 /nfs/dbraw/zinc/82/91/14/849829114.db2.gz KVIMLSPPPWFWLB-UHFFFAOYSA-N 2 0 350.810 0.939 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1cc(C2C[NH2+]C2)ncn1)[C@@H]1CC[NH2+]C1 ZINC001157120553 849950479 /nfs/dbraw/zinc/95/04/79/849950479.db2.gz DGYWDQXZAOATBD-CYBMUJFWSA-N 2 0 360.443 0.116 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001157336936 849965344 /nfs/dbraw/zinc/96/53/44/849965344.db2.gz QHKTYZFWKZWFBZ-MAUKXSAKSA-N 2 0 350.438 0.372 20 0 FCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC1 ZINC001157732393 849989914 /nfs/dbraw/zinc/98/99/14/849989914.db2.gz ZOVQZJARFYCFHV-XJKSGUPXSA-N 2 0 350.442 0.209 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001157756345 849991056 /nfs/dbraw/zinc/99/10/56/849991056.db2.gz XQPZVYHDUYCVQO-YJBOKZPZSA-N 2 0 350.438 0.352 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157873608 850000735 /nfs/dbraw/zinc/00/07/35/850000735.db2.gz FMWTZYFQEQNFQC-ZDUSSCGKSA-N 2 0 354.886 0.838 20 0 FCADRP CCS(=O)(=O)N(c1nc(Cl)nc2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001157892241 850001614 /nfs/dbraw/zinc/00/16/14/850001614.db2.gz OGCWYESCCHXZSU-UHFFFAOYSA-N 2 0 359.883 0.684 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071315 850015776 /nfs/dbraw/zinc/01/57/76/850015776.db2.gz ZWWFCPSQCAAHBE-INIZCTEOSA-N 3 0 350.507 0.431 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccsc2)C1 ZINC001158167063 850021048 /nfs/dbraw/zinc/02/10/48/850021048.db2.gz ICDQNNQFJAAYPT-VQHPVUNQSA-N 2 0 364.515 0.659 20 0 FCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001158186997 850022585 /nfs/dbraw/zinc/02/25/85/850022585.db2.gz KFFDFTYXOKGLEN-SWKXRBFHSA-N 2 0 362.499 0.313 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241052 850027531 /nfs/dbraw/zinc/02/75/31/850027531.db2.gz QJGIIQXRBAKSQN-MNOVXSKESA-N 2 0 351.369 0.942 20 0 FCADRP CCOC(=O)C1(C(=O)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)C[NH2+]C1 ZINC001158248334 850028104 /nfs/dbraw/zinc/02/81/04/850028104.db2.gz FTMICVDKWCQEBZ-LLVKDONJSA-N 2 0 363.380 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCCc2cccs2)CC[N@@H+]1C ZINC001158379603 850041176 /nfs/dbraw/zinc/04/11/76/850041176.db2.gz DNZQDGDKYDCAAT-GDBMZVCRSA-N 2 0 366.531 0.843 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC(F)F)C2 ZINC001158379932 850041520 /nfs/dbraw/zinc/04/15/20/850041520.db2.gz GNHRMDITLAQXRW-HJIKLVIJSA-N 2 0 373.322 0.513 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC001158380723 850042201 /nfs/dbraw/zinc/04/22/01/850042201.db2.gz VMEJFBXILDCKTN-RBSFLKMASA-N 2 0 350.463 0.893 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380288 850042240 /nfs/dbraw/zinc/04/22/40/850042240.db2.gz OWPLJWBMBRZDAU-BFHYXJOUSA-N 2 0 355.483 0.045 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC001158380191 850042434 /nfs/dbraw/zinc/04/24/34/850042434.db2.gz DLYZXFLTMQKKJK-IUPFNGILSA-N 2 0 361.364 0.280 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C13CC(C1)C[NH2+]3)C2 ZINC001158381037 850042709 /nfs/dbraw/zinc/04/27/09/850042709.db2.gz GWZMIZXJQJIPAP-GOVRHWKRSA-N 2 0 361.364 0.282 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](C[NH3+])C(C)C)C2 ZINC001158383480 850043343 /nfs/dbraw/zinc/04/33/43/850043343.db2.gz NKZCADDRPMYMJL-NILFDRSVSA-N 2 0 365.396 0.761 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CCCC[NH3+])C2 ZINC001158384057 850043784 /nfs/dbraw/zinc/04/37/84/850043784.db2.gz QCSMTORYNFWAAN-ZIAGYGMSSA-N 2 0 351.369 0.659 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001158384911 850044370 /nfs/dbraw/zinc/04/43/70/850044370.db2.gz TYJDCHVJKVSJCC-CABCVRRESA-N 2 0 365.396 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001158403385 850047185 /nfs/dbraw/zinc/04/71/85/850047185.db2.gz HTVVVBOGJDTRGQ-QWHCGFSZSA-N 2 0 366.428 0.881 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001158404074 850048105 /nfs/dbraw/zinc/04/81/05/850048105.db2.gz PKTFUAMIAHTNCC-OWCLPIDISA-N 2 0 354.495 0.108 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001158495680 850056608 /nfs/dbraw/zinc/05/66/08/850056608.db2.gz CQNZRKLMBJHSAB-PJSNJIKXSA-N 2 0 363.380 0.669 20 0 FCADRP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158578196 850060539 /nfs/dbraw/zinc/06/05/39/850060539.db2.gz KUHIXMDSIASUGB-AJNGGQMLSA-N 2 0 352.454 0.265 20 0 FCADRP CNS(=O)(=O)c1ccc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)nc1 ZINC001158588892 850061648 /nfs/dbraw/zinc/06/16/48/850061648.db2.gz JETUIJZTXIYUGV-UHFFFAOYSA-N 2 0 367.519 0.642 20 0 FCADRP CC(C)(C)N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160872 850098231 /nfs/dbraw/zinc/09/82/31/850098231.db2.gz UIDIAGCQVSFRFP-HZPDHXFCSA-N 3 0 352.523 0.852 20 0 FCADRP CC(C)(C)N(C(=O)CNC1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159161109 850098400 /nfs/dbraw/zinc/09/84/00/850098400.db2.gz XMNLWGMZXQWVTH-MRXNPFEDSA-N 2 0 352.523 0.866 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159191533 850100080 /nfs/dbraw/zinc/10/00/80/850100080.db2.gz IACAXEKXXFCQPL-ZBFHGGJFSA-N 2 0 367.519 0.287 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834267 850139011 /nfs/dbraw/zinc/13/90/11/850139011.db2.gz UNSPJDAMNIGGQN-RRFJBIMHSA-N 2 0 350.488 0.944 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834256 850139261 /nfs/dbraw/zinc/13/92/61/850139261.db2.gz UGXHLAUSYMSFNX-QLFBSQMISA-N 3 0 361.515 0.375 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+]([C@@H](C)C(=O)NC)CC2)CC[N@@H+]1C ZINC001160168847 850155910 /nfs/dbraw/zinc/15/59/10/850155910.db2.gz AYXJESNWJFXINA-BHYGNILZSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175357 850157728 /nfs/dbraw/zinc/15/77/28/850157728.db2.gz NNUMXJDLKPFXOU-HLLBOEOZSA-N 2 0 350.507 0.942 20 0 FCADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001160426536 850172241 /nfs/dbraw/zinc/17/22/41/850172241.db2.gz FLHWWNZXDCQCFT-CABCVRRESA-N 2 0 355.479 0.853 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)cc1 ZINC001160443059 850173397 /nfs/dbraw/zinc/17/33/97/850173397.db2.gz BTPHEMKBSRLTAF-HNNXBMFYSA-N 2 0 351.472 0.759 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566720 850182004 /nfs/dbraw/zinc/18/20/04/850182004.db2.gz YMWMQADMFAJBBN-HNNXBMFYSA-N 2 0 362.503 0.226 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778745 850198239 /nfs/dbraw/zinc/19/82/39/850198239.db2.gz CMFGSCGREBOTAH-RYRKJORJSA-N 2 0 362.499 0.140 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])Cc3cscn3)C[C@H]1C[NH2+]CC2 ZINC001160805554 850199478 /nfs/dbraw/zinc/19/94/78/850199478.db2.gz BRHJAUZQHFLZLC-PVXIVEMSSA-N 2 0 352.460 0.014 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC(F)(F)C1 ZINC001160971113 850216470 /nfs/dbraw/zinc/21/64/70/850216470.db2.gz FHTXBJMTDKPWEZ-ZQIUZPCESA-N 2 0 350.413 0.907 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999817 850220354 /nfs/dbraw/zinc/22/03/54/850220354.db2.gz LKHCQRHTBWKIEU-UONOGXRCSA-N 2 0 355.479 0.541 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)CC[NH2+]1 ZINC001161023400 850222047 /nfs/dbraw/zinc/22/20/47/850222047.db2.gz IKUSTOCIHNZYQI-CYBMUJFWSA-N 2 0 366.487 0.151 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161097304 850230373 /nfs/dbraw/zinc/23/03/73/850230373.db2.gz BVDMSLHMLPRPNA-DGCLKSJQSA-N 2 0 360.384 0.620 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161097303 850230696 /nfs/dbraw/zinc/23/06/96/850230696.db2.gz BVDMSLHMLPRPNA-AAEUAGOBSA-N 2 0 360.384 0.620 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@H]1O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152337 850234357 /nfs/dbraw/zinc/23/43/57/850234357.db2.gz HCBUCCIRMHCDMP-WDEREUQCSA-N 2 0 359.352 0.161 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N2CCC(C3CC[NH2+]CC3)CC2)CC1 ZINC001161204774 850239955 /nfs/dbraw/zinc/23/99/55/850239955.db2.gz FBRSLIRPZYWPSP-UHFFFAOYSA-N 2 0 350.507 0.812 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161317664 850252439 /nfs/dbraw/zinc/25/24/39/850252439.db2.gz RMYQYABTUGQKRT-UMVBOHGHSA-N 2 0 355.483 0.040 20 0 FCADRP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161340637 850253355 /nfs/dbraw/zinc/25/33/55/850253355.db2.gz RMDLGKBTAHXXNT-PMPSAXMXSA-N 3 0 353.511 0.034 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447757 850259745 /nfs/dbraw/zinc/25/97/45/850259745.db2.gz ZBXCHEQOGKKNHJ-CABCVRRESA-N 3 0 356.511 0.448 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444645 850259925 /nfs/dbraw/zinc/25/99/25/850259925.db2.gz JOJALCOQMWPIJH-HUUCEWRRSA-N 3 0 356.511 0.578 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1csc([C@@H]3CCC[NH2+]3)n1)CC2 ZINC001161477330 850262442 /nfs/dbraw/zinc/26/24/42/850262442.db2.gz DYYFNKOGJXLNAT-PPHDSNJXSA-N 2 0 364.471 0.935 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@H](c2ccsc2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161500839 850265268 /nfs/dbraw/zinc/26/52/68/850265268.db2.gz QGDGOOYGGGEUJV-GJZGRUSLSA-N 2 0 350.488 0.271 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001161884263 850288639 /nfs/dbraw/zinc/28/86/39/850288639.db2.gz MTYOFIVSGDHUJI-BZSNNMDCSA-N 2 0 353.507 0.837 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1ncccc1S(=O)(=O)N1CCCC1 ZINC001162291635 850306372 /nfs/dbraw/zinc/30/63/72/850306372.db2.gz GDWXDYIPNRWJJM-UHFFFAOYSA-N 2 0 355.508 0.997 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001164582311 850417523 /nfs/dbraw/zinc/41/75/23/850417523.db2.gz HGRYJRNKOZSIMW-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001168304115 850580073 /nfs/dbraw/zinc/58/00/73/850580073.db2.gz PUZZUBMPWGAPTF-UHFFFAOYSA-N 3 0 361.527 0.474 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N([C@@H]1C[NH2+]C[C@@H]3CCCO[C@H]13)S(C)(=O)=O)C2 ZINC001169129616 850606734 /nfs/dbraw/zinc/60/67/34/850606734.db2.gz KFQPOKUYKFLIJW-NYXISSTPSA-N 2 0 357.520 0.640 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)COCCN(S(C)(=O)=O)C3)C2 ZINC001169133968 850608018 /nfs/dbraw/zinc/60/80/18/850608018.db2.gz ORSXEALJYBSQSO-BJWYYQGGSA-N 2 0 371.547 0.986 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(Cl)nc3c2CC[NH2+]CC3)O1 ZINC001170273490 850648982 /nfs/dbraw/zinc/64/89/82/850648982.db2.gz QJVFRXCCIMCGJG-NFAWXSAZSA-N 2 0 355.870 0.955 20 0 FCADRP C[C@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@H]1C[NH2+]CCO1 ZINC001170577132 850659474 /nfs/dbraw/zinc/65/94/74/850659474.db2.gz YENMWRATLAKFOE-SUMWQHHRSA-N 2 0 368.503 0.506 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001170617017 850660384 /nfs/dbraw/zinc/66/03/84/850660384.db2.gz NAYICTWZCZRLDS-KGLIPLIRSA-N 2 0 359.467 0.883 20 0 FCADRP CN(C)S(=O)(=O)n1cnc(-c2ccccc2N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170899983 850669919 /nfs/dbraw/zinc/66/99/19/850669919.db2.gz HEZNXIVNWSHYLE-HNNXBMFYSA-N 2 0 352.464 0.640 20 0 FCADRP COCCC[NH+]1CCC(N[C@@H](CCc2cn(C)cn2)C(=O)OC)CC1 ZINC001172250401 850708333 /nfs/dbraw/zinc/70/83/33/850708333.db2.gz XSPBVMNYDJJGDL-KRWDZBQOSA-N 2 0 352.479 0.985 20 0 FCADRP C[C@@H]1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1C(=O)OC(C)(C)C ZINC001173056746 850718231 /nfs/dbraw/zinc/71/82/31/850718231.db2.gz BMRJWPJUUWFZJD-CHWSQXEVSA-N 2 0 360.459 0.912 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])C[C@@H]1C(=O)OC ZINC001173572365 850728023 /nfs/dbraw/zinc/72/80/23/850728023.db2.gz DVWDCVJHMVDMDK-IVNDUCHKSA-N 2 0 358.435 0.042 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]2C)CC[N@@H+]1C ZINC001178731002 850921304 /nfs/dbraw/zinc/92/13/04/850921304.db2.gz JULOTJJPPNZWQT-XQHKEYJVSA-N 2 0 364.412 0.584 20 0 FCADRP C=C(F)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001180119390 851014402 /nfs/dbraw/zinc/01/44/02/851014402.db2.gz UCKKAZOLOPYRPD-RDUHTLEXSA-N 2 0 361.458 0.765 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001181525898 851117639 /nfs/dbraw/zinc/11/76/39/851117639.db2.gz WFYOFAHFVGXXRN-NPNMTCQASA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001182676506 851190476 /nfs/dbraw/zinc/19/04/76/851190476.db2.gz LWBDPEJLKBPJEC-RBSFLKMASA-N 2 0 357.520 0.342 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@@H](CO)NC(=O)OC(C)(C)C ZINC001182697572 851194198 /nfs/dbraw/zinc/19/41/98/851194198.db2.gz WYCGSUDNSSVTPA-LBPRGKRZSA-N 2 0 359.471 0.326 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1(C)CCS(=O)(=O)CC1 ZINC001183631670 851256791 /nfs/dbraw/zinc/25/67/91/851256791.db2.gz BPUYCIWWRJLBBQ-UHFFFAOYSA-N 2 0 361.552 0.933 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(C)=O)[C@@H](C)OC(C)(C)C ZINC001183961625 851280528 /nfs/dbraw/zinc/28/05/28/851280528.db2.gz AAGZEDMBGILNKW-OCCSQVGLSA-N 2 0 357.499 0.759 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CNC(=O)OC(C)(C)C)OC ZINC001184182491 851293510 /nfs/dbraw/zinc/29/35/10/851293510.db2.gz CLKAMXIVJIOEAC-LBPRGKRZSA-N 2 0 359.471 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001189669613 851814354 /nfs/dbraw/zinc/81/43/54/851814354.db2.gz XVFCJRZIKDQAGA-DLBZAZTESA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001189851715 851830966 /nfs/dbraw/zinc/83/09/66/851830966.db2.gz NZWUOBRDXQLOFZ-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906151 851839854 /nfs/dbraw/zinc/83/98/54/851839854.db2.gz CHSDIEWDIFYLNB-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178007 851870997 /nfs/dbraw/zinc/87/09/97/851870997.db2.gz UCWCVGWLMRKQGA-IXDOHACOSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325582 851892032 /nfs/dbraw/zinc/89/20/32/851892032.db2.gz ZUJDNKWGLTZITJ-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CCC1(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)COC1 ZINC001278473759 862343956 /nfs/dbraw/zinc/34/39/56/862343956.db2.gz AUEVHQPPUQMGOI-LJQANCHMSA-N 2 0 352.523 0.631 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726448 852477021 /nfs/dbraw/zinc/47/70/21/852477021.db2.gz CKNOYGKVYWKABM-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193728688 852478041 /nfs/dbraw/zinc/47/80/41/852478041.db2.gz RBRSMRULEDBOJV-RCCFBDPRSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)CCC1 ZINC001193765969 852485658 /nfs/dbraw/zinc/48/56/58/852485658.db2.gz LVOMTVMYQXDVFS-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(S(C)(=O)=O)c1 ZINC001194129782 852544151 /nfs/dbraw/zinc/54/41/51/852544151.db2.gz WTWHPDCYAJGMCA-UHFFFAOYSA-N 2 0 370.519 0.831 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320998 852578865 /nfs/dbraw/zinc/57/88/65/852578865.db2.gz CHNJQEZHOZVOAF-DJIMGWMZSA-N 2 0 355.523 0.962 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)CO[C@H](C)COC)CC2)CC1 ZINC001195258812 852732916 /nfs/dbraw/zinc/73/29/16/852732916.db2.gz RZIRZDHBDNAZOE-IEBWSBKVSA-N 2 0 357.539 0.891 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001196168383 852903526 /nfs/dbraw/zinc/90/35/26/852903526.db2.gz JHAAIUBGZJOXQM-USXIJHARSA-N 2 0 350.463 0.342 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176331 852905679 /nfs/dbraw/zinc/90/56/79/852905679.db2.gz LOVUTDNIAOSSTB-IIDMSEBBSA-N 2 0 359.486 0.787 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206798 852913699 /nfs/dbraw/zinc/91/36/99/852913699.db2.gz HJCYAEMPEUUOBM-BRWVUGGUSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001196308063 852934555 /nfs/dbraw/zinc/93/45/55/852934555.db2.gz VUPRVGFWTXMQBF-MGPQQGTHSA-N 2 0 367.412 0.601 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819706 853166662 /nfs/dbraw/zinc/16/66/62/853166662.db2.gz KPKSWFYHHPDIMM-CHWSQXEVSA-N 2 0 365.396 0.213 20 0 FCADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636241 853505882 /nfs/dbraw/zinc/50/58/82/853505882.db2.gz HRSJXEFCRMUHBO-RHSMWYFYSA-N 2 0 354.495 0.060 20 0 FCADRP [NH3+][C@@H]1C[C@H](O)CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001204957555 853593888 /nfs/dbraw/zinc/59/38/88/853593888.db2.gz SXIQQUJAFLLCTQ-CABCVRRESA-N 2 0 369.307 0.753 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205307053 853602916 /nfs/dbraw/zinc/60/29/16/853602916.db2.gz MJQITGUZOXIYGK-JKSUJKDBSA-N 2 0 350.438 0.537 20 0 FCADRP CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)OC(C)(C)O1 ZINC001206455045 853690120 /nfs/dbraw/zinc/69/01/20/853690120.db2.gz IYJHUHGKMYDYFE-LJISPDSOSA-N 2 0 358.479 0.880 20 0 FCADRP [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001206469060 853691461 /nfs/dbraw/zinc/69/14/61/853691461.db2.gz NURWGROWNVBDAO-XJKSGUPXSA-N 2 0 369.307 0.610 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001207263613 853794899 /nfs/dbraw/zinc/79/48/99/853794899.db2.gz XNSNLUOGWFOWMW-RBSFLKMASA-N 2 0 357.474 0.128 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](CCC1CC[NH+](C)CC1)C[C@H]2C(=O)N(C)C ZINC001207488536 853818671 /nfs/dbraw/zinc/81/86/71/853818671.db2.gz MNNKRKKFRDOWEE-KRWDZBQOSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207543575 853821866 /nfs/dbraw/zinc/82/18/66/853821866.db2.gz UFFGIMJMIKUBKY-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001208065653 853888139 /nfs/dbraw/zinc/88/81/39/853888139.db2.gz BETNQDBRAPLXMC-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001208070243 853890422 /nfs/dbraw/zinc/89/04/22/853890422.db2.gz HFHRPWDBOVTCOL-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092699 853894246 /nfs/dbraw/zinc/89/42/46/853894246.db2.gz VNLMPDKGQCHSOA-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114322 853897544 /nfs/dbraw/zinc/89/75/44/853897544.db2.gz OADMOGBBGPOUNA-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001208601352 853958677 /nfs/dbraw/zinc/95/86/77/853958677.db2.gz YHVGXYSSMHGIOL-SJORKVTESA-N 2 0 358.552 0.778 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCCC3OCCO3)CC[C@@H]2C1 ZINC001209302111 854017498 /nfs/dbraw/zinc/01/74/98/854017498.db2.gz COFHIUMPFYZZDC-HZPDHXFCSA-N 2 0 355.479 0.250 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211300340 854175065 /nfs/dbraw/zinc/17/50/65/854175065.db2.gz KGTWOIGTRGLMRQ-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461018 854488531 /nfs/dbraw/zinc/48/85/31/854488531.db2.gz OLNKNLQMHLGAAW-BZUAXINKSA-N 2 0 357.495 0.195 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348841 854584867 /nfs/dbraw/zinc/58/48/67/854584867.db2.gz WWUMBXCDJXMSLU-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455432 854624437 /nfs/dbraw/zinc/62/44/37/854624437.db2.gz ASMOYPUVEONOFP-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455433 854624512 /nfs/dbraw/zinc/62/45/12/854624512.db2.gz ASMOYPUVEONOFP-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213599206 854680707 /nfs/dbraw/zinc/68/07/07/854680707.db2.gz WPNPKZJVFOWVNW-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213769392 854759976 /nfs/dbraw/zinc/75/99/76/854759976.db2.gz SULLRWZGUUYUMQ-BRWVUGGUSA-N 2 0 359.511 0.177 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868496 854799604 /nfs/dbraw/zinc/79/96/04/854799604.db2.gz XWTWWARRNMHGCK-GVDBMIGSSA-N 2 0 357.495 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001214335714 854927167 /nfs/dbraw/zinc/92/71/67/854927167.db2.gz GTHFFBYCSJRPKS-BMFZPTHFSA-N 2 0 364.515 0.895 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214597435 854975856 /nfs/dbraw/zinc/97/58/56/854975856.db2.gz JLOAOLYSXGIYGT-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214664183 854989306 /nfs/dbraw/zinc/98/93/06/854989306.db2.gz PAOVXIGENFSLCV-QBPKDAKJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214855741 855022918 /nfs/dbraw/zinc/02/29/18/855022918.db2.gz MLCFFUCVNVGHRX-FRFSOERESA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214855932 855023726 /nfs/dbraw/zinc/02/37/26/855023726.db2.gz RWIIEILMXINOCP-QBIMZIAESA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214856042 855024258 /nfs/dbraw/zinc/02/42/58/855024258.db2.gz VVHKXNUKJGUHIE-FVQBIDKESA-N 2 0 353.511 0.471 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214863904 855025808 /nfs/dbraw/zinc/02/58/08/855025808.db2.gz ZVAFQWQEYAVLRN-KBAYOESNSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904957 855030508 /nfs/dbraw/zinc/03/05/08/855030508.db2.gz RQERCIYLUQMYSJ-OAGGEKHMSA-N 2 0 355.527 0.717 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904823 855030654 /nfs/dbraw/zinc/03/06/54/855030654.db2.gz LEFBSAGYOBPPTA-OIISXLGYSA-N 2 0 356.511 0.162 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214968750 855041934 /nfs/dbraw/zinc/04/19/34/855041934.db2.gz ALUIRDSAZPPJMC-JHJVBQTASA-N 2 0 366.491 0.397 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969407 855042307 /nfs/dbraw/zinc/04/23/07/855042307.db2.gz QINARDJHQCEGPP-OAGGEKHMSA-N 2 0 353.511 0.615 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)ccc2c[nH+]cn21 ZINC001215027374 855053988 /nfs/dbraw/zinc/05/39/88/855053988.db2.gz QPKANSJIXGAXKA-MLGOLLRUSA-N 2 0 364.471 0.737 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH2+]CCOCCO ZINC001215227129 855085493 /nfs/dbraw/zinc/08/54/93/855085493.db2.gz YWFOLPKKUOHWFQ-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001215234285 855087194 /nfs/dbraw/zinc/08/71/94/855087194.db2.gz NTXNRELVNGCUNZ-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215397096 855110027 /nfs/dbraw/zinc/11/00/27/855110027.db2.gz SRPMRQZEQMIOGV-FXUDXRNXSA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001215415730 855111909 /nfs/dbraw/zinc/11/19/09/855111909.db2.gz JVSWOAUVXARMFN-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414328 855112018 /nfs/dbraw/zinc/11/20/18/855112018.db2.gz UATZTNPPZLLWPP-IXDOHACOSA-N 2 0 355.523 0.798 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453504 855117148 /nfs/dbraw/zinc/11/71/48/855117148.db2.gz FMCHZCDYXSDRAF-BFYDXBDKSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001215453871 855117307 /nfs/dbraw/zinc/11/73/07/855117307.db2.gz WELJUTVROWPBOD-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215453926 855117355 /nfs/dbraw/zinc/11/73/55/855117355.db2.gz ZDLOXAUQYYJPKI-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453547 855117390 /nfs/dbraw/zinc/11/73/90/855117390.db2.gz HPYZAWYZRFIBQS-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215544296 855127016 /nfs/dbraw/zinc/12/70/16/855127016.db2.gz OAWJISNBAJVSKG-ZMSDIMECSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1)[NH+](C)C ZINC001215571670 855129036 /nfs/dbraw/zinc/12/90/36/855129036.db2.gz SAQCNLAFSJTZEF-UPJWGTAASA-N 2 0 366.428 0.832 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778229 855144525 /nfs/dbraw/zinc/14/45/25/855144525.db2.gz FBLXOPCYFMUPEQ-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001215994023 855162878 /nfs/dbraw/zinc/16/28/78/855162878.db2.gz MNAUIORAFIQRPG-GDBMZVCRSA-N 2 0 350.463 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001215999070 855164229 /nfs/dbraw/zinc/16/42/29/855164229.db2.gz NSUQZHJJUQDIOY-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216225517 855180366 /nfs/dbraw/zinc/18/03/66/855180366.db2.gz FTNRZADZSPKJRD-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CCOCCO ZINC001216315091 855191137 /nfs/dbraw/zinc/19/11/37/855191137.db2.gz XRWZRDYFORVKKK-CRAIPNDOSA-N 2 0 353.507 0.554 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216503900 855208496 /nfs/dbraw/zinc/20/84/96/855208496.db2.gz YZTDTJVUPKXIRP-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752154 855231340 /nfs/dbraw/zinc/23/13/40/855231340.db2.gz HPJDUVNHPWWXSV-OWCLPIDISA-N 2 0 359.536 0.588 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001216757590 855233745 /nfs/dbraw/zinc/23/37/45/855233745.db2.gz DSNAPHCGUOTYOD-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC(F)F)C1 ZINC001216758009 855233912 /nfs/dbraw/zinc/23/39/12/855233912.db2.gz VMBVPVSOGODGJN-QLFBSQMISA-N 2 0 363.449 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001216834720 855253818 /nfs/dbraw/zinc/25/38/18/855253818.db2.gz VGKWEYWEQVTRBV-IXDOHACOSA-N 2 0 371.547 0.734 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001216846406 855256510 /nfs/dbraw/zinc/25/65/10/855256510.db2.gz CDIUNQMSLBYOSO-KYJSFNMBSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001216846674 855257388 /nfs/dbraw/zinc/25/73/88/855257388.db2.gz STAMLTLVTUFEJK-BZUAXINKSA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216851557 855259117 /nfs/dbraw/zinc/25/91/17/855259117.db2.gz AAZYBJDZYUMTNC-VXGBXAGGSA-N 2 0 354.480 0.253 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216852378 855260258 /nfs/dbraw/zinc/26/02/58/855260258.db2.gz XBISDGZVRCPZDY-CHWSQXEVSA-N 2 0 366.428 0.784 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001218233810 855409545 /nfs/dbraw/zinc/40/95/45/855409545.db2.gz AILGYYJBLMWFSM-SNVBAGLBSA-N 2 0 350.419 0.282 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]32)CC1 ZINC001218550548 855437517 /nfs/dbraw/zinc/43/75/17/855437517.db2.gz DTCFOHOKAKTFPI-YESZJQIVSA-N 2 0 351.491 0.666 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]32)CC1 ZINC001218550618 855437789 /nfs/dbraw/zinc/43/77/89/855437789.db2.gz GZUBWQNBIOJCON-YESZJQIVSA-N 2 0 351.491 0.809 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1nc(Br)cn2ccnc12 ZINC001218565094 855440535 /nfs/dbraw/zinc/44/05/35/855440535.db2.gz RTFQAMGRRMFJGW-MRVPVSSYSA-N 2 0 350.180 0.723 20 0 FCADRP C[C@H](COCC(=O)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21)[NH+]1CCCC1 ZINC001218651108 855458292 /nfs/dbraw/zinc/45/82/92/855458292.db2.gz UJEJATFCYOQWRE-IXDOHACOSA-N 2 0 357.470 0.759 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1c(F)cccc1OC1COC1 ZINC001219382034 855652885 /nfs/dbraw/zinc/65/28/85/855652885.db2.gz JGTQRNQFCUIETO-CQSZACIVSA-N 2 0 352.410 0.292 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219535888 855706149 /nfs/dbraw/zinc/70/61/49/855706149.db2.gz AQFFUCPMRURSFT-MJVIPROJSA-N 2 0 350.444 0.227 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580703 855721682 /nfs/dbraw/zinc/72/16/82/855721682.db2.gz QRUAXOMXGVUCBH-BFHYXJOUSA-N 2 0 374.279 0.416 20 0 FCADRP [NH3+][C@H](C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001219610289 855732523 /nfs/dbraw/zinc/73/25/23/855732523.db2.gz NGBFKAPQTLASMP-AAEUAGOBSA-N 2 0 351.369 0.658 20 0 FCADRP [NH3+][C@@H](C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001219610292 855732575 /nfs/dbraw/zinc/73/25/75/855732575.db2.gz NGBFKAPQTLASMP-YPMHNXCESA-N 2 0 351.369 0.658 20 0 FCADRP C[NH+]1CCN(c2ccccc2C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219625968 855742441 /nfs/dbraw/zinc/74/24/41/855742441.db2.gz KHIFBBYLBWEMKX-FUHWJXTLSA-N 2 0 350.438 0.231 20 0 FCADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001219697321 855775736 /nfs/dbraw/zinc/77/57/36/855775736.db2.gz RYNLWVRNWKGTCM-KGLIPLIRSA-N 2 0 357.376 0.849 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219737259 855792945 /nfs/dbraw/zinc/79/29/45/855792945.db2.gz RLXZFFQYLOEHBJ-CVEARBPZSA-N 2 0 365.499 0.750 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743756 855794938 /nfs/dbraw/zinc/79/49/38/855794938.db2.gz LFFBPQDJFUZWAH-ZIAGYGMSSA-N 2 0 355.479 0.853 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219743738 855795532 /nfs/dbraw/zinc/79/55/32/855795532.db2.gz KVYQVFVOHBAXDH-IXDOHACOSA-N 2 0 350.507 0.620 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825545 855832888 /nfs/dbraw/zinc/83/28/88/855832888.db2.gz KUZZVEQVGNRAJS-RYUDHWBXSA-N 2 0 354.476 0.267 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001219846993 855843115 /nfs/dbraw/zinc/84/31/15/855843115.db2.gz NUJQVKYMWXWQNB-SQNIBIBYSA-N 2 0 355.523 0.941 20 0 FCADRP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877553 855857874 /nfs/dbraw/zinc/85/78/74/855857874.db2.gz KYBNYAOXQUKZTN-DJAVDHGHSA-N 2 0 353.507 0.862 20 0 FCADRP O=C(NCC1(N2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219938764 855888793 /nfs/dbraw/zinc/88/87/93/855888793.db2.gz CWKLOTWUBYVFKC-VQIMIIECSA-N 2 0 350.507 0.337 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039697 855929321 /nfs/dbraw/zinc/92/93/21/855929321.db2.gz PAHYRRVQDILZKA-IPRSXWBISA-N 2 0 361.508 0.180 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CCC([NH3+])CC1 ZINC001220039513 855929814 /nfs/dbraw/zinc/92/98/14/855929814.db2.gz HZCKRIVKZNSOLY-ASSKVSBWSA-N 2 0 352.479 0.034 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062274 855940915 /nfs/dbraw/zinc/94/09/15/855940915.db2.gz SOWMCYMOWJIRPY-JKSUJKDBSA-N 2 0 371.547 0.782 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)COC1(C)C ZINC001220064031 855941524 /nfs/dbraw/zinc/94/15/24/855941524.db2.gz NTZIOSKSEYCCDU-ILXRZTDVSA-N 2 0 354.495 0.678 20 0 FCADRP C[NH2+]CCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001220077510 855948740 /nfs/dbraw/zinc/94/87/40/855948740.db2.gz MRGMNRHKXUKXGH-STQMWFEESA-N 2 0 364.581 0.421 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)CCCC1 ZINC001220077963 855948932 /nfs/dbraw/zinc/94/89/32/855948932.db2.gz CRWDXLVYDINURT-ZACQAIPSSA-N 2 0 353.507 0.981 20 0 FCADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209617 856009105 /nfs/dbraw/zinc/00/91/05/856009105.db2.gz XUKIDDCGTPNQFR-SQNIBIBYSA-N 2 0 353.507 0.981 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220234187 856025030 /nfs/dbraw/zinc/02/50/30/856025030.db2.gz XZYWBQVTNRWCPT-OLZOCXBDSA-N 2 0 355.401 0.459 20 0 FCADRP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281881 856043063 /nfs/dbraw/zinc/04/30/63/856043063.db2.gz CRVQQIDITGGTCG-RYUDHWBXSA-N 2 0 359.211 0.639 20 0 FCADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC001220282434 856044131 /nfs/dbraw/zinc/04/41/31/856044131.db2.gz KDEPESOTRPWROG-HOCLYGCPSA-N 2 0 368.503 0.249 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220306243 856055028 /nfs/dbraw/zinc/05/50/28/856055028.db2.gz GDUPKWPTFASRBB-HNNXBMFYSA-N 2 0 356.511 0.579 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220315702 856061647 /nfs/dbraw/zinc/06/16/47/856061647.db2.gz HFKNJKZMRPNDBW-TXPKVOOTSA-N 3 0 350.507 0.478 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369918 856089733 /nfs/dbraw/zinc/08/97/33/856089733.db2.gz XUWFAELLRPCBEP-IKGGRYGDSA-N 2 0 355.523 0.941 20 0 FCADRP O=C(Nc1ncc(Br)[nH]c1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220398687 856106579 /nfs/dbraw/zinc/10/65/79/856106579.db2.gz IYKOIMLPNLOUTA-QMMMGPOBSA-N 2 0 356.224 0.345 20 0 FCADRP COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220409569 856111742 /nfs/dbraw/zinc/11/17/42/856111742.db2.gz XLWZYMUJKOACDG-GWCFXTLKSA-N 2 0 352.460 0.256 20 0 FCADRP CCCn1c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc(=O)n(CCC)c1=O ZINC001220424925 856119878 /nfs/dbraw/zinc/11/98/78/856119878.db2.gz YXNHFYXRJWIIST-HNNXBMFYSA-N 2 0 351.451 0.095 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001220429746 856120876 /nfs/dbraw/zinc/12/08/76/856120876.db2.gz YODPYGGSHOJXIU-ZNMIVQPWSA-N 2 0 368.275 0.857 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)O1 ZINC001220481647 856147678 /nfs/dbraw/zinc/14/76/78/856147678.db2.gz MHHOEMUDHPSLTK-DBXHJTGRSA-N 2 0 355.479 0.376 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001220497471 856155509 /nfs/dbraw/zinc/15/55/09/856155509.db2.gz YOSZQHRTLVYDAQ-KBPBESRZSA-N 2 0 354.495 0.508 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC001220519206 856163391 /nfs/dbraw/zinc/16/33/91/856163391.db2.gz GJYFVQTWERGWES-AWEZNQCLSA-N 2 0 363.380 0.683 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606729 856202491 /nfs/dbraw/zinc/20/24/91/856202491.db2.gz CJSKAXQEFGPZEY-NEPJUHHUSA-N 2 0 358.236 0.846 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)c1ccc(Br)cc1 ZINC001220605717 856203635 /nfs/dbraw/zinc/20/36/35/856203635.db2.gz WLXGYSPTUZOLOF-OLZOCXBDSA-N 2 0 352.236 0.858 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])Cn1cccn1)c1ccc(Br)cc1 ZINC001220608825 856204549 /nfs/dbraw/zinc/20/45/49/856204549.db2.gz YUABQKJTIOLLIK-QWHCGFSZSA-N 2 0 352.236 0.789 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001220610373 856205505 /nfs/dbraw/zinc/20/55/05/856205505.db2.gz MVRSOQWPBAUYMT-KBPBESRZSA-N 3 0 355.280 0.892 20 0 FCADRP CCCC[C@](CC)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220638438 856215928 /nfs/dbraw/zinc/21/59/28/856215928.db2.gz SPXVFIPTDJZHHX-QAPCUYQASA-N 2 0 356.511 0.755 20 0 FCADRP C[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC(C)(C)CC[NH3+] ZINC001220765796 856287780 /nfs/dbraw/zinc/28/77/80/856287780.db2.gz FLPITWWLUSZZDO-KBPBESRZSA-N 2 0 358.527 0.762 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1O ZINC001220768659 856290684 /nfs/dbraw/zinc/29/06/84/856290684.db2.gz XEHQITDOJBQNNE-CVEARBPZSA-N 2 0 355.504 0.420 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220800156 856306466 /nfs/dbraw/zinc/30/64/66/856306466.db2.gz NALYOFNDRLEDDP-UONOGXRCSA-N 2 0 373.906 0.950 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220806923 856310727 /nfs/dbraw/zinc/31/07/27/856310727.db2.gz MKPIOGUZIKTTFK-SQNIBIBYSA-N 2 0 355.523 0.821 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@@H]1O ZINC001220826171 856326529 /nfs/dbraw/zinc/32/65/29/856326529.db2.gz QLGPUSXLQJJCIQ-CABCVRRESA-N 2 0 354.520 0.887 20 0 FCADRP O=C(CC1CC[NH2+]CC1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898303 856363250 /nfs/dbraw/zinc/36/32/50/856363250.db2.gz FFYMNKSHLALYQM-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001220908917 856368841 /nfs/dbraw/zinc/36/88/41/856368841.db2.gz CWJRIDZTPVFPMO-CWRNSKLLSA-N 2 0 351.491 0.949 20 0 FCADRP CN(C)C(=O)CN1CCC[C@]2(CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001279247114 862788934 /nfs/dbraw/zinc/78/89/34/862788934.db2.gz QVDVALNSOSVLLQ-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926755 856378074 /nfs/dbraw/zinc/37/80/74/856378074.db2.gz YPNRFWFBUYLWLI-FYSMJZIKSA-N 2 0 352.504 0.506 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)c2ccsc2)C1 ZINC001220936151 856384624 /nfs/dbraw/zinc/38/46/24/856384624.db2.gz CYXNUSFBRRBYSM-OAGGEKHMSA-N 2 0 352.504 0.707 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221073535 856449696 /nfs/dbraw/zinc/44/96/96/856449696.db2.gz ZTDTZSGXTYCXOY-KSZLIROESA-N 2 0 353.507 0.983 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2)c1 ZINC001221091816 856460519 /nfs/dbraw/zinc/46/05/19/856460519.db2.gz GCWBCWKCNQBXMX-IZHWHUGBSA-N 2 0 353.488 0.568 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@@H]2O)o1 ZINC001221150432 856485848 /nfs/dbraw/zinc/48/58/48/856485848.db2.gz YXTYJKISQBOUIJ-CVEARBPZSA-N 2 0 353.463 0.933 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001221158433 856490142 /nfs/dbraw/zinc/49/01/42/856490142.db2.gz FMGPHZDWFFVBLQ-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001221188595 856507166 /nfs/dbraw/zinc/50/71/66/856507166.db2.gz YLCIJJIHZACBRP-LSDHHAIUSA-N 2 0 368.503 0.481 20 0 FCADRP Cn1ncc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(Br)c1=O ZINC001221401100 856557982 /nfs/dbraw/zinc/55/79/82/856557982.db2.gz CDDLOJFJWASYRG-VIFPVBQESA-N 2 0 370.251 0.356 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406586 856559448 /nfs/dbraw/zinc/55/94/48/856559448.db2.gz HDFNBNVUVDQVMH-BZUAXINKSA-N 2 0 371.547 0.636 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccc(Cl)cc1 ZINC001221414999 856559987 /nfs/dbraw/zinc/55/99/87/856559987.db2.gz ZXGXYZSEZHBENU-JYJNAYRXSA-N 2 0 354.882 0.622 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@@H]([NH3+])COC(C)=O)c1ccc(Cl)cc1 ZINC001221413152 856560399 /nfs/dbraw/zinc/56/03/99/856560399.db2.gz OIBFNEFZSWATQO-JKSUJKDBSA-N 2 0 371.865 0.966 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920672 856734666 /nfs/dbraw/zinc/73/46/66/856734666.db2.gz QHAFHNYLPTZBPC-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CO[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001221950779 856745990 /nfs/dbraw/zinc/74/59/90/856745990.db2.gz XVOZTEBXCXPKCN-KZNAEPCWSA-N 2 0 353.507 0.912 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222716343 856867129 /nfs/dbraw/zinc/86/71/29/856867129.db2.gz XNGBUHAWQHBBCM-TWMKSMIVSA-N 2 0 350.507 0.776 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222897320 856881467 /nfs/dbraw/zinc/88/14/67/856881467.db2.gz AAWNKMNHTRVKKF-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430565 856915037 /nfs/dbraw/zinc/91/50/37/856915037.db2.gz MVPNKTUFNZZPMF-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430871 856917459 /nfs/dbraw/zinc/91/74/59/856917459.db2.gz QVNNKKZOLUXVNG-XHSDSOJGSA-N 2 0 357.520 0.296 20 0 FCADRP Cc1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916414 856950336 /nfs/dbraw/zinc/95/03/36/856950336.db2.gz HDFODUNJGQQTDS-WBVHZDCISA-N 2 0 350.463 0.984 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCOCC3CC3)[C@H]2C1 ZINC001223916913 856950426 /nfs/dbraw/zinc/95/04/26/856950426.db2.gz SONPYCIHMLWQFN-MSOLQXFVSA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129597 856962410 /nfs/dbraw/zinc/96/24/10/856962410.db2.gz IPOCDIGHANKBHI-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001224227347 856970149 /nfs/dbraw/zinc/97/01/49/856970149.db2.gz IHJDEZXRWBTHRM-MSOLQXFVSA-N 2 0 353.507 0.794 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001224222604 856970787 /nfs/dbraw/zinc/97/07/87/856970787.db2.gz QHRKUSBTHHDAGH-MSOLQXFVSA-N 2 0 353.507 0.794 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C1CCC1 ZINC001226831464 857127599 /nfs/dbraw/zinc/12/75/99/857127599.db2.gz PJEINBDGYOAOHU-HZPDHXFCSA-N 2 0 351.495 0.513 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254908 857198517 /nfs/dbraw/zinc/19/85/17/857198517.db2.gz LJDOJINDGGUUFE-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001228333818 857204383 /nfs/dbraw/zinc/20/43/83/857204383.db2.gz FLCRYVQHSZYJML-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)CC1 ZINC001228342337 857205270 /nfs/dbraw/zinc/20/52/70/857205270.db2.gz YJRUUSLGFXOFBG-HZPDHXFCSA-N 2 0 359.536 0.780 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229214991 857259255 /nfs/dbraw/zinc/25/92/55/857259255.db2.gz TZKSUBRUUCLNCP-ZIAGYGMSSA-N 2 0 351.451 0.972 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229229505 857260197 /nfs/dbraw/zinc/26/01/97/857260197.db2.gz BASBLSONZZHKLD-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709104 857283567 /nfs/dbraw/zinc/28/35/67/857283567.db2.gz BXHLIXICFKKWIR-IAGOWNOFSA-N 2 0 351.495 0.824 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001229710153 857283578 /nfs/dbraw/zinc/28/35/78/857283578.db2.gz NNHMXPUEXRRCPS-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C)C(=O)NC(N)=O ZINC001229807405 857287625 /nfs/dbraw/zinc/28/76/25/857287625.db2.gz AXSPOPMZTSFPDH-BFHYXJOUSA-N 2 0 355.483 0.319 20 0 FCADRP Cn1cnc(CCCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001230384335 857331536 /nfs/dbraw/zinc/33/15/36/857331536.db2.gz IAHGZNGYQSOTDY-HUUCEWRRSA-N 2 0 351.499 0.129 20 0 FCADRP Oc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1Br ZINC001235871309 857433478 /nfs/dbraw/zinc/43/34/78/857433478.db2.gz SCPLGEDEVMOLFB-UHFFFAOYSA-N 2 0 357.296 0.739 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC)cc1Cl ZINC001235871851 857433678 /nfs/dbraw/zinc/43/36/78/857433678.db2.gz ZRXVXRXBVVMMAU-UHFFFAOYSA-N 2 0 356.898 0.942 20 0 FCADRP CS(=O)(=O)c1ccc(CN(CC[NH3+])CC[NH3+])cc1Br ZINC001235880786 857434783 /nfs/dbraw/zinc/43/47/83/857434783.db2.gz PEKBHOYNQZDIFR-UHFFFAOYSA-N 2 0 350.282 0.572 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccncc1Br ZINC001236309853 857437568 /nfs/dbraw/zinc/43/75/68/857437568.db2.gz QWKGLAIBFYTACH-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP Cc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cnc1OC(C)C ZINC001236310838 857438859 /nfs/dbraw/zinc/43/88/59/857438859.db2.gz CLNQWJNCOLGKQB-UHFFFAOYSA-N 2 0 351.495 0.793 20 0 FCADRP Cc1nn(C(C)(C)C)c(C)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310128 857438963 /nfs/dbraw/zinc/43/89/63/857438963.db2.gz AMWDTLAHASOZKO-UHFFFAOYSA-N 2 0 352.527 0.871 20 0 FCADRP CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238242242 857465343 /nfs/dbraw/zinc/46/53/43/857465343.db2.gz OEOYAEHESSZOFY-CQSZACIVSA-N 2 0 366.487 0.199 20 0 FCADRP COc1ccc(C2(NS(=O)(=O)C3CC[NH2+]CC3)CC[NH2+]CC2)cc1 ZINC001238816144 857480539 /nfs/dbraw/zinc/48/05/39/857480539.db2.gz JYSHUPITIKDVPY-UHFFFAOYSA-N 2 0 353.488 0.945 20 0 FCADRP COc1ccccc1C1(NS(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238815776 857480557 /nfs/dbraw/zinc/48/05/57/857480557.db2.gz MKZQCZAMUYJDSA-UHFFFAOYSA-N 2 0 353.488 0.945 20 0 FCADRP CCOC(=O)[C@@]12CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]1C[NH2+]CCC2 ZINC001238994450 857498326 /nfs/dbraw/zinc/49/83/26/857498326.db2.gz DMHWHVPSIWOPGJ-RDJZCZTQSA-N 2 0 373.519 0.181 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001239096818 857512571 /nfs/dbraw/zinc/51/25/71/857512571.db2.gz MJBKSGCIDWABCG-UHFFFAOYSA-N 2 0 350.444 0.569 20 0 FCADRP CC[NH+](CC)CCCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239092905 857512851 /nfs/dbraw/zinc/51/28/51/857512851.db2.gz DIUMFMLGNKBICQ-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP Cc1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1C ZINC001239130585 857517907 /nfs/dbraw/zinc/51/79/07/857517907.db2.gz DZLIMAPCKYVOAI-UHFFFAOYSA-N 2 0 356.492 0.108 20 0 FCADRP COC(=O)c1cccc(CN(C2CC[NH2+]CC2)S(=O)(=O)CC[NH3+])c1 ZINC001239146912 857522658 /nfs/dbraw/zinc/52/26/58/857522658.db2.gz GPBDZMIZLMZIHP-UHFFFAOYSA-N 2 0 355.460 0.316 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001239148750 857522866 /nfs/dbraw/zinc/52/28/66/857522866.db2.gz PYXAFKSCXZENGT-KRWDZBQOSA-N 2 0 352.504 0.965 20 0 FCADRP COc1cccc(NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239449722 857529053 /nfs/dbraw/zinc/52/90/53/857529053.db2.gz AOYLYUFQNMPRKZ-UHFFFAOYSA-N 2 0 353.492 0.508 20 0 FCADRP Cc1ccc(F)cc1NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239453456 857529429 /nfs/dbraw/zinc/52/94/29/857529429.db2.gz WATMEQALDYSZIO-UHFFFAOYSA-N 2 0 355.483 0.947 20 0 FCADRP CCCC[C@@H](CC)COC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055940 857566922 /nfs/dbraw/zinc/56/69/22/857566922.db2.gz MYFQAELZRANBNU-MOPGFXCFSA-N 2 0 358.571 0.665 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)O2)CN1)N1CCSC1 ZINC001246133628 857568913 /nfs/dbraw/zinc/56/89/13/857568913.db2.gz KUNYZOWSJSHLRW-KFWWJZLASA-N 2 0 354.520 0.141 20 0 FCADRP CCOC(=O)C[C@]1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001246135592 857569256 /nfs/dbraw/zinc/56/92/56/857569256.db2.gz YZVKDBJOTTZJKV-CYTLGGPYSA-N 2 0 353.463 0.334 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147214 857569422 /nfs/dbraw/zinc/56/94/22/857569422.db2.gz WHNQPRDKEKHHJQ-LLDVTBCESA-N 2 0 355.479 0.043 20 0 FCADRP O=C([C@@H]1C[C@@H](N[C@@H]2CCCC[C@@]23C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246159842 857570479 /nfs/dbraw/zinc/57/04/79/857570479.db2.gz LETUKPCVQMSAJT-JYYAWHABSA-N 2 0 354.520 0.141 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@H](C2CC[NH2+]CC2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246188739 857570542 /nfs/dbraw/zinc/57/05/42/857570542.db2.gz FCWGKGKQTDEZIV-RWMBFGLXSA-N 2 0 366.453 0.770 20 0 FCADRP O=C([C@@H]1C[C@H](NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)C[NH2+]1)N1CCSC1 ZINC001246338276 857574302 /nfs/dbraw/zinc/57/43/02/857574302.db2.gz FAAPNLQBYKMTDY-QAETUUGQSA-N 2 0 361.515 0.585 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[NH2+][C@H](Cc3ccccc3)C2)C[NH2+]1)N1CCSC1 ZINC001246603783 857586018 /nfs/dbraw/zinc/58/60/18/857586018.db2.gz RXIGURQRFCVUBX-SQNIBIBYSA-N 2 0 360.527 0.766 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645388 857587207 /nfs/dbraw/zinc/58/72/07/857587207.db2.gz UXGCSTWZHPQKSE-SFHVURJKSA-N 2 0 355.479 0.679 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]C[C@]4(CCCCN4)C3)C[C@H](C1)[NH2+]2 ZINC001246636408 857587531 /nfs/dbraw/zinc/58/75/31/857587531.db2.gz VOCKSRCVANMTBL-NEJPUZRRSA-N 2 0 350.507 0.476 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC(F)(F)CC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246651896 857588511 /nfs/dbraw/zinc/58/85/11/857588511.db2.gz GMHXWKRUNPAOHW-OLZOCXBDSA-N 2 0 360.474 0.713 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697122 857590933 /nfs/dbraw/zinc/59/09/33/857590933.db2.gz UBZKASKKBIFBKO-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709499 857591701 /nfs/dbraw/zinc/59/17/01/857591701.db2.gz OTROUFKSZUSRJV-XBKGKQEASA-N 2 0 351.491 0.902 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772655 857599917 /nfs/dbraw/zinc/59/99/17/857599917.db2.gz FCPUWODDALMWDC-VXNCWWDNSA-N 2 0 351.491 0.857 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3CCC(S(C)(=O)=O)CC3)C[C@H]1C2 ZINC001246859058 857603297 /nfs/dbraw/zinc/60/32/97/857603297.db2.gz NORKVMDQTCBECD-BYKDUITMSA-N 2 0 370.515 0.673 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCN[C@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859605 857603326 /nfs/dbraw/zinc/60/33/26/857603326.db2.gz PVGVHULFGOCEGZ-RHICEVKNSA-N 2 0 361.408 1.000 20 0 FCADRP CCOC(=O)[C@]12C[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@H]1C[NH2+]CC2 ZINC001246855742 857603466 /nfs/dbraw/zinc/60/34/66/857603466.db2.gz BMSKHTLQNNXNHF-JVGQSUMCSA-N 3 0 351.491 0.762 20 0 FCADRP COC(=O)N1CCC([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246855881 857603520 /nfs/dbraw/zinc/60/35/20/857603520.db2.gz CEQITTQXPUBBHO-PXMRGAAZSA-N 2 0 351.447 0.548 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CC[C@@H]([NH3+])C4)CC3)C[C@H](C1)[NH2+]2 ZINC001246968527 857607824 /nfs/dbraw/zinc/60/78/24/857607824.db2.gz QNDFHJXJCZIBCX-YLADIXGZSA-N 3 0 350.507 0.556 20 0 FCADRP O=C([C@@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246967060 857607872 /nfs/dbraw/zinc/60/78/72/857607872.db2.gz SUMHWRXLWDZFOX-BBWFWOEESA-N 2 0 361.515 0.509 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCN[C@H](C(=O)OCC)C2)CCC12C[NH2+]C2 ZINC001247004951 857608536 /nfs/dbraw/zinc/60/85/36/857608536.db2.gz DWAQCMXNBRETQN-KFWWJZLASA-N 2 0 353.463 0.145 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001249832351 857649521 /nfs/dbraw/zinc/64/95/21/857649521.db2.gz CTIYKPOWIZCQAH-UONOGXRCSA-N 2 0 350.492 0.050 20 0 FCADRP CCC[NH+](CCC)CCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC001251021649 857682865 /nfs/dbraw/zinc/68/28/65/857682865.db2.gz RGZQYCYCEVQRAP-IBGZPJMESA-N 2 0 356.555 0.419 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251405838 857722251 /nfs/dbraw/zinc/72/22/51/857722251.db2.gz PXMZNBLSWOKUAY-SFHVURJKSA-N 2 0 356.511 0.538 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001251453778 857724365 /nfs/dbraw/zinc/72/43/65/857724365.db2.gz STNLLLHIEQSTHT-SFHVURJKSA-N 2 0 357.495 0.652 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 ZINC001253206327 857873012 /nfs/dbraw/zinc/87/30/12/857873012.db2.gz LNCQISDSDKJWFA-UKRRQHHQSA-N 2 0 373.519 0.566 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001253390109 857885249 /nfs/dbraw/zinc/88/52/49/857885249.db2.gz ITRSZFDHTGBUDT-GPMSIDNRSA-N 2 0 353.507 0.743 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CNCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001253411713 857887248 /nfs/dbraw/zinc/88/72/48/857887248.db2.gz UINMXGLKBHQJAZ-INIZCTEOSA-N 2 0 370.519 0.155 20 0 FCADRP CCCS(=O)(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001253678400 857903003 /nfs/dbraw/zinc/90/30/03/857903003.db2.gz BPXKDVYYCVURJP-UHFFFAOYSA-N 2 0 372.579 0.902 20 0 FCADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1 ZINC001254519907 857977346 /nfs/dbraw/zinc/97/73/46/857977346.db2.gz BILLJKBJZGJHAV-MRXNPFEDSA-N 2 0 359.536 0.845 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685767 857980760 /nfs/dbraw/zinc/98/07/60/857980760.db2.gz IXHAIVCPIJNZAG-VXGBXAGGSA-N 2 0 359.492 0.819 20 0 FCADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254855665 857988503 /nfs/dbraw/zinc/98/85/03/857988503.db2.gz QBJBDGPCCFIWPH-OAHLLOKOSA-N 2 0 367.519 0.622 20 0 FCADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001255951281 858042838 /nfs/dbraw/zinc/04/28/38/858042838.db2.gz PJNPCRXIVLHZNO-SFHVURJKSA-N 3 0 363.543 0.722 20 0 FCADRP O=C(Cn1cc(Cl)cn1)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001279614608 862979348 /nfs/dbraw/zinc/97/93/48/862979348.db2.gz ALWJZCVCZMMLGP-CVEARBPZSA-N 2 0 367.881 0.448 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CC2CC[NH2+]CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279614738 862979420 /nfs/dbraw/zinc/97/94/20/862979420.db2.gz BKEHQMPIPDAUGA-LJQANCHMSA-N 3 0 351.539 0.204 20 0 FCADRP COC(=O)[C@H]1C[C@@H](NC(=[NH2+])NCCCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001256253990 858060977 /nfs/dbraw/zinc/06/09/77/858060977.db2.gz INJCSKZVHQYODY-VXGBXAGGSA-N 2 0 357.455 0.390 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+]C1CCS(=O)(=O)CC1 ZINC001256380943 858074443 /nfs/dbraw/zinc/07/44/43/858074443.db2.gz ZZMFTXIWHIOEJT-UHFFFAOYSA-N 2 0 360.476 0.160 20 0 FCADRP CCOC1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001256431404 858080717 /nfs/dbraw/zinc/08/07/17/858080717.db2.gz CRRDWALSTIUCNA-UHFFFAOYSA-N 2 0 362.511 0.949 20 0 FCADRP COCCN1C[C@@H]2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]2C1=O ZINC001256693801 858095722 /nfs/dbraw/zinc/09/57/22/858095722.db2.gz OLQHAAUJDWMJQV-CPFNUKBASA-N 2 0 351.491 0.666 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001257917452 858163409 /nfs/dbraw/zinc/16/34/09/858163409.db2.gz GSJYTMDQTFKWEJ-CQSZACIVSA-N 2 0 364.508 0.037 20 0 FCADRP COC(=O)CC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370969 858194245 /nfs/dbraw/zinc/19/42/45/858194245.db2.gz LIBQGVKBINKPLK-ARFHVFGLSA-N 2 0 355.479 0.439 20 0 FCADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046811 858765617 /nfs/dbraw/zinc/76/56/17/858765617.db2.gz ZEZZYAQWMYRVHC-QZTJIDSGSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001264392084 859353066 /nfs/dbraw/zinc/35/30/66/859353066.db2.gz CFEULODTGWRKTP-FVCCEPFGSA-N 2 0 366.491 0.301 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096552 859651015 /nfs/dbraw/zinc/65/10/15/859651015.db2.gz VWRRIGMPBZFJCD-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001270332584 859719338 /nfs/dbraw/zinc/71/93/38/859719338.db2.gz KKMXNBDHCAGWEJ-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1)[NH+]1CCCC1 ZINC001270491931 859772454 /nfs/dbraw/zinc/77/24/54/859772454.db2.gz ZDJUXXVHVHTQHU-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652523 859985683 /nfs/dbraw/zinc/98/56/83/859985683.db2.gz NLGFXOIYCZSHKH-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001272744423 860244430 /nfs/dbraw/zinc/24/44/30/860244430.db2.gz FEJJYQBMYOIGSR-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001272744859 860244460 /nfs/dbraw/zinc/24/44/60/860244460.db2.gz LNOQLBSMBLCSSI-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822605 860272353 /nfs/dbraw/zinc/27/23/53/860272353.db2.gz ZXPZISCNDAXOGL-QFBILLFUSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)C2(C)CC[NH+](C)CC2)C1=O ZINC001272820883 860272775 /nfs/dbraw/zinc/27/27/75/860272775.db2.gz NCYSJUOBCJEWIU-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822542 860272897 /nfs/dbraw/zinc/27/28/97/860272897.db2.gz YPJKKEYUKMJHSV-VQIMIIECSA-N 2 0 350.507 0.872 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273310384 860446150 /nfs/dbraw/zinc/44/61/50/860446150.db2.gz IGIZVECHQVGWCT-IBGZPJMESA-N 2 0 350.507 0.908 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)C1=O ZINC001273404088 860479193 /nfs/dbraw/zinc/47/91/93/860479193.db2.gz TXQQYINVERXCQC-BEFAXECRSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273834100 860613509 /nfs/dbraw/zinc/61/35/09/860613509.db2.gz AMRWHMNMMYWOGD-MJGOQNOKSA-N 2 0 352.523 0.583 20 0 FCADRP CC(C)CC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275092907 860931168 /nfs/dbraw/zinc/93/11/68/860931168.db2.gz FRVQTOHTEXGZPD-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC[N@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122853 860936347 /nfs/dbraw/zinc/93/63/47/860936347.db2.gz KHKKYWHIWJEVAX-LJQANCHMSA-N 2 0 350.507 0.337 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)[NH+](C)C ZINC001275222566 860992030 /nfs/dbraw/zinc/99/20/30/860992030.db2.gz FOJSWELOWUIXMX-IEBWSBKVSA-N 2 0 354.539 0.828 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001275225631 860993453 /nfs/dbraw/zinc/99/34/53/860993453.db2.gz DGBPXFRDGCYMER-IYBDPMFKSA-N 2 0 350.507 0.729 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737671 861180715 /nfs/dbraw/zinc/18/07/15/861180715.db2.gz NEQZCYFRBWYFBY-QGZVFWFLSA-N 2 0 357.520 0.488 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736801 861180840 /nfs/dbraw/zinc/18/08/40/861180840.db2.gz HIFIZCXALWLKHF-VQIMIIECSA-N 2 0 350.507 0.955 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736707 861180874 /nfs/dbraw/zinc/18/08/74/861180874.db2.gz GKRFASQQIRJBMU-CRAIPNDOSA-N 2 0 353.463 0.241 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001275743824 861188029 /nfs/dbraw/zinc/18/80/29/861188029.db2.gz YNPXOXFGHRVXMD-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CC(=O)N1CCN(C)CC1)CC2 ZINC001280073916 863246609 /nfs/dbraw/zinc/24/66/09/863246609.db2.gz JZEBWHSXKZQOQG-UHFFFAOYSA-N 2 0 351.539 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)C[C@@H](C)O1 ZINC001280137508 863287001 /nfs/dbraw/zinc/28/70/01/863287001.db2.gz JKYHQWWFKQYXBV-BFYDXBDKSA-N 2 0 351.491 0.855 20 0 FCADRP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280175149 863308328 /nfs/dbraw/zinc/30/83/28/863308328.db2.gz JEDUWFYFMLGBRV-GJZGRUSLSA-N 2 0 368.547 0.340 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001280218127 863343291 /nfs/dbraw/zinc/34/32/91/863343291.db2.gz FSEMCEAXSMUZRB-FGTMMUONSA-N 2 0 350.507 0.334 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1CN(CC[NH+](C)C)CC2 ZINC001280221412 863345052 /nfs/dbraw/zinc/34/50/52/863345052.db2.gz OWNUUZSMUKPFJW-UHFFFAOYSA-N 2 0 350.511 0.743 20 0 FCADRP CC(C)NC(=O)N1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280245247 863356685 /nfs/dbraw/zinc/35/66/85/863356685.db2.gz AYWYEIGNIYZYEI-SJORKVTESA-N 2 0 353.511 0.127 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001280259532 863366110 /nfs/dbraw/zinc/36/61/10/863366110.db2.gz PYDWJMFOCQCJAC-XLMAVXFVSA-N 2 0 350.507 0.491 20 0 FCADRP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001282300948 864178246 /nfs/dbraw/zinc/17/82/46/864178246.db2.gz KTCVBOKPAMZDLC-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)CC[NH+]1C ZINC001284736417 864593910 /nfs/dbraw/zinc/59/39/10/864593910.db2.gz KEQCJACYIGSZTJ-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC001288979939 864836351 /nfs/dbraw/zinc/83/63/51/864836351.db2.gz MCANCFQIDFQKTQ-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)[NH+](C)C ZINC001289829588 865292009 /nfs/dbraw/zinc/29/20/09/865292009.db2.gz LVCCQXOGMZBJFD-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001290042267 865319990 /nfs/dbraw/zinc/31/99/90/865319990.db2.gz FUFIIADTRCMXGP-UUAJXVIYSA-N 2 0 352.523 0.924 20 0 FCADRP CCC[C@H](C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1)S(N)(=O)=O ZINC001302316179 866319008 /nfs/dbraw/zinc/31/90/08/866319008.db2.gz BVJLYVZCHWDBNW-CYBMUJFWSA-N 2 0 355.464 0.229 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cn1 ZINC001349487519 866359627 /nfs/dbraw/zinc/35/96/27/866359627.db2.gz PHARTUAKHMZEHG-INIZCTEOSA-N 2 0 350.467 0.407 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001305207315 866569871 /nfs/dbraw/zinc/56/98/71/866569871.db2.gz BQTWPNSVDVBKMJ-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC(C[NH+]3CCN(C)CC3)C2)CC1 ZINC001350733067 866672028 /nfs/dbraw/zinc/67/20/28/866672028.db2.gz UAYMDJFAPOJYJF-UHFFFAOYSA-N 2 0 351.539 0.108 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001351798602 866971424 /nfs/dbraw/zinc/97/14/24/866971424.db2.gz ADGSKCQKUBSFQY-UHFFFAOYSA-N 2 0 367.519 0.564 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001312898674 867211782 /nfs/dbraw/zinc/21/17/82/867211782.db2.gz SBENNLPINUOBNY-HUUCEWRRSA-N 2 0 362.540 0.192 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759780 867460133 /nfs/dbraw/zinc/46/01/33/867460133.db2.gz JKUGWDVUFUXGAF-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CC[C@H]2CCS(=O)(=O)C2)C2CC2)CC[N@@H+]1C ZINC001317552173 867539667 /nfs/dbraw/zinc/53/96/67/867539667.db2.gz FAXSASNCIWNSNW-HLLBOEOZSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)CSCC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC001319234476 867864058 /nfs/dbraw/zinc/86/40/58/867864058.db2.gz LGPXDSIAIIHYHR-IYBDPMFKSA-N 2 0 370.563 0.636 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC001321021067 868346149 /nfs/dbraw/zinc/34/61/49/868346149.db2.gz YKETWBALJFPQIY-UHFFFAOYSA-N 2 0 374.482 0.898 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001322860332 868972706 /nfs/dbraw/zinc/97/27/06/868972706.db2.gz CMGYDEDUOLNTSK-GOSISDBHSA-N 2 0 351.539 0.299 20 0 FCADRP CN1C[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)OC1=O ZINC001324267917 869527552 /nfs/dbraw/zinc/52/75/52/869527552.db2.gz SIWHCIIUROLKFH-HNNXBMFYSA-N 2 0 354.495 0.853 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001325617569 869957916 /nfs/dbraw/zinc/95/79/16/869957916.db2.gz IXLUZRFRKIXNFJ-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC001325715710 869998198 /nfs/dbraw/zinc/99/81/98/869998198.db2.gz CWUBXAJQEKGZNT-BHYGNILZSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001325724338 870002199 /nfs/dbraw/zinc/00/21/99/870002199.db2.gz WCOBQALDCFLCHJ-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC001325862894 870067261 /nfs/dbraw/zinc/06/72/61/870067261.db2.gz KSAXLTYJDVNFEX-JKSUJKDBSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1 ZINC001326331626 870262426 /nfs/dbraw/zinc/26/24/26/870262426.db2.gz ZAQSWWCJGRUWTD-UHFFFAOYSA-N 2 0 350.467 0.201 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001326582864 870394370 /nfs/dbraw/zinc/39/43/70/870394370.db2.gz UBVBNRYSZPPBIP-HLLBOEOZSA-N 2 0 371.547 0.937 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001343445157 870430693 /nfs/dbraw/zinc/43/06/93/870430693.db2.gz PMYSQUWIPQJJIY-HNNXBMFYSA-N 2 0 351.520 0.920 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327927764 871143405 /nfs/dbraw/zinc/14/34/05/871143405.db2.gz HTRFSUUWAIXVKD-AWEZNQCLSA-N 2 0 350.467 0.433 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592360 871530893 /nfs/dbraw/zinc/53/08/93/871530893.db2.gz SCPPQRLOTPKTFX-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001346298874 871758608 /nfs/dbraw/zinc/75/86/08/871758608.db2.gz JLVOPYQKMKGKCN-HUUCEWRRSA-N 2 0 353.511 0.474 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC001329434150 872024900 /nfs/dbraw/zinc/02/49/00/872024900.db2.gz PQAMFVKQXOJARH-PSASIEDQSA-N 2 0 362.356 0.310 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nnnn1C ZINC001346916393 872061991 /nfs/dbraw/zinc/06/19/91/872061991.db2.gz FALUVNYZHWDXEU-KGLIPLIRSA-N 2 0 352.487 0.329 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nnnn1C ZINC001346916394 872062299 /nfs/dbraw/zinc/06/22/99/872062299.db2.gz FALUVNYZHWDXEU-UONOGXRCSA-N 2 0 352.487 0.329 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1C[N@H+](C)CCN1C ZINC001347186436 872209067 /nfs/dbraw/zinc/20/90/67/872209067.db2.gz NEAKXFPMBNEYFG-BBWFWOEESA-N 2 0 355.527 0.373 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001347335759 872281579 /nfs/dbraw/zinc/28/15/79/872281579.db2.gz NEYDPTNFQAKZGD-NVXWUHKLSA-N 2 0 355.527 0.421 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663072 872756425 /nfs/dbraw/zinc/75/64/25/872756425.db2.gz GPEJFTFCBJFQIF-HZPDHXFCSA-N 2 0 355.527 0.109 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC001348700893 872770425 /nfs/dbraw/zinc/77/04/25/872770425.db2.gz JRXYBGGNKBEXFJ-CYBMUJFWSA-N 2 0 351.417 0.688 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1(C)C ZINC001331056128 872937529 /nfs/dbraw/zinc/93/75/29/872937529.db2.gz IPDDILVBUSMXFY-HNNXBMFYSA-N 2 0 356.511 0.212 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC001331146948 872982191 /nfs/dbraw/zinc/98/21/91/872982191.db2.gz RQPNESFCGIRRCI-GASCZTMLSA-N 2 0 368.547 0.708 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453703 873111749 /nfs/dbraw/zinc/11/17/49/873111749.db2.gz OBNMCHKVDZESDL-AEFFLSMTSA-N 2 0 353.511 0.163 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453745 873111800 /nfs/dbraw/zinc/11/18/00/873111800.db2.gz PLPPGTQPIFSWMQ-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)[C@H]1CCC[NH2+]1 ZINC001332414888 873498182 /nfs/dbraw/zinc/49/81/82/873498182.db2.gz FATLDNHUHILKIK-HRCADAONSA-N 2 0 357.520 0.391 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001332689879 873618266 /nfs/dbraw/zinc/61/82/66/873618266.db2.gz BSJSEVBKFBLWFG-FCEWJHQRSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001332974828 873742010 /nfs/dbraw/zinc/74/20/10/873742010.db2.gz BWDOUVMYFYHTQD-JQWIXIFHSA-N 2 0 354.405 0.964 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C[NH3+] ZINC001332976593 873743568 /nfs/dbraw/zinc/74/35/68/873743568.db2.gz QMVBFDDIDNTWFP-OUAUKWLOSA-N 2 0 358.393 0.186 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926550 949006146 /nfs/dbraw/zinc/00/61/46/949006146.db2.gz ULDLLOQOVGURCK-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575256546 949259307 /nfs/dbraw/zinc/25/93/07/949259307.db2.gz WDIJFBORTFFEOX-VXGBXAGGSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704251 949373540 /nfs/dbraw/zinc/37/35/40/949373540.db2.gz BMKOKPBAGWYGNO-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263583 949401445 /nfs/dbraw/zinc/40/14/45/949401445.db2.gz IEZSVGHHRLOWNO-GUYCJALGSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263584 949402022 /nfs/dbraw/zinc/40/20/22/949402022.db2.gz IEZSVGHHRLOWNO-SUMWQHHRSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575271533 949617939 /nfs/dbraw/zinc/61/79/39/949617939.db2.gz KLNFTWNOPRDSLK-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576204999 950486328 /nfs/dbraw/zinc/48/63/28/950486328.db2.gz FNHQLHORXIEXEQ-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570977184 950496938 /nfs/dbraw/zinc/49/69/38/950496938.db2.gz KVMQNXJYAUUDRC-INIZCTEOSA-N 2 0 355.446 0.653 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576205881 950544334 /nfs/dbraw/zinc/54/43/34/950544334.db2.gz QWHYOSMQVHEAJR-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206218 950566120 /nfs/dbraw/zinc/56/61/20/950566120.db2.gz VQFPBAMGYNIMTL-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001570981183 950578611 /nfs/dbraw/zinc/57/86/11/950578611.db2.gz FUYIFCABFFCAGE-CYBMUJFWSA-N 2 0 356.434 0.252 20 0 FCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575921366 950636778 /nfs/dbraw/zinc/63/67/78/950636778.db2.gz NOSLXLYWWZATSA-GXTWGEPZSA-N 2 0 368.445 0.181 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001570988604 950789853 /nfs/dbraw/zinc/78/98/53/950789853.db2.gz KNHWHQPMEKOFKN-CVEARBPZSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001570988606 950790718 /nfs/dbraw/zinc/79/07/18/950790718.db2.gz KNHWHQPMEKOFKN-HZPDHXFCSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570993353 950944046 /nfs/dbraw/zinc/94/40/46/950944046.db2.gz FQUWQEDIBWUZKH-WFASDCNBSA-N 2 0 358.450 0.283 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004773 951157332 /nfs/dbraw/zinc/15/73/32/951157332.db2.gz QBJVVSAZAUSQGU-NQBHXWOUSA-N 2 0 361.475 0.759 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082208 951730655 /nfs/dbraw/zinc/73/06/55/951730655.db2.gz VUSQCWGPSVFNMX-GFCCVEGCSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575093015 951796288 /nfs/dbraw/zinc/79/62/88/951796288.db2.gz GURZKTMQIZMBTR-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113655 951942741 /nfs/dbraw/zinc/94/27/41/951942741.db2.gz CQZGVGILIMEELV-AWEZNQCLSA-N 2 0 369.473 0.804 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062694 951957677 /nfs/dbraw/zinc/95/76/77/951957677.db2.gz AADPTJWBEUMQSD-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571063164 951962557 /nfs/dbraw/zinc/96/25/57/951962557.db2.gz JLMIZGDOSYSERQ-PGEKIEPBSA-N 2 0 369.473 0.945 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077696 952122948 /nfs/dbraw/zinc/12/29/48/952122948.db2.gz FNIVWPMAASULIZ-MLGOLLRUSA-N 2 0 370.461 0.347 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575145026 952177538 /nfs/dbraw/zinc/17/75/38/952177538.db2.gz OFQNEYYNELNNLK-WFASDCNBSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575147779 952201014 /nfs/dbraw/zinc/20/10/14/952201014.db2.gz WAFLJENLOXSBIX-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571102722 952349700 /nfs/dbraw/zinc/34/97/00/952349700.db2.gz FOWAFEDYOOXTHJ-XJKSGUPXSA-N 2 0 372.477 0.673 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105213 952390427 /nfs/dbraw/zinc/39/04/27/952390427.db2.gz KBUMCJQGMCVAOI-UKRRQHHQSA-N 2 0 373.436 0.648 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571109272 952413426 /nfs/dbraw/zinc/41/34/26/952413426.db2.gz QKUQNUTTYDEGOR-SHTZXODSSA-N 2 0 373.436 0.838 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cn2ccnc12 ZINC000293124073 214147866 /nfs/dbraw/zinc/14/78/66/214147866.db2.gz UHNIHQGWVFCINE-UHFFFAOYSA-N 2 0 372.473 0.723 20 0 FCADRP C[C@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)C[NH+](C)C)c1)C[NH+](C)C ZINC000293629356 214189271 /nfs/dbraw/zinc/18/92/71/214189271.db2.gz CQFAKIJYPQFICG-GASCZTMLSA-N 2 0 363.506 0.937 20 0 FCADRP CC1[C@@H](C(=O)NCC2=CC[NH+](C)CC2)[C@@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000295095141 214277074 /nfs/dbraw/zinc/27/70/74/214277074.db2.gz SQPANOLKGPEMEW-QZTJIDSGSA-N 2 0 360.502 0.625 20 0 FCADRP C[NH+](CCNC(=O)c1cc(C(=O)NCC[N@@H+](C)C2CC2)ccn1)C1CC1 ZINC000265885288 210242428 /nfs/dbraw/zinc/24/24/28/210242428.db2.gz DCHXDQZBDBESBT-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP CCc1nc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000262083174 529736563 /nfs/dbraw/zinc/73/65/63/529736563.db2.gz KVXIWHHBSYHESC-UHFFFAOYSA-N 2 0 351.520 0.645 20 0 FCADRP C[N@H+](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000412469535 529833348 /nfs/dbraw/zinc/83/33/48/529833348.db2.gz XHXHQZXHOXYGBI-INIZCTEOSA-N 2 0 370.563 0.337 20 0 FCADRP CN(CC[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O)C1CC[NH+](C)CC1 ZINC000177381290 529885973 /nfs/dbraw/zinc/88/59/73/529885973.db2.gz WHTKSNRMMZVWNN-UHFFFAOYSA-N 2 0 353.511 0.665 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410441417 529907601 /nfs/dbraw/zinc/90/76/01/529907601.db2.gz YMUYEDVEWGSWMT-QGZVFWFLSA-N 2 0 350.507 0.731 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000410781702 529965170 /nfs/dbraw/zinc/96/51/70/529965170.db2.gz CLAJEKWBESJTMT-ULQDDVLXSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000331486059 215003836 /nfs/dbraw/zinc/00/38/36/215003836.db2.gz QVDYEAIKIWYWBC-WBVHZDCISA-N 2 0 366.506 0.251 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331460424 215000373 /nfs/dbraw/zinc/00/03/73/215000373.db2.gz YWTWRAIHPVUPTQ-SJORKVTESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507340 215007309 /nfs/dbraw/zinc/00/73/09/215007309.db2.gz UAWCBCOFUONYRS-GDBMZVCRSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507350 215007716 /nfs/dbraw/zinc/00/77/16/215007716.db2.gz UAWCBCOFUONYRS-ZBFHGGJFSA-N 2 0 366.506 0.693 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000331547589 215013786 /nfs/dbraw/zinc/01/37/86/215013786.db2.gz BEQFBDMRXUVYQV-KBUPBQIOSA-N 2 0 352.479 0.301 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000331570981 215016586 /nfs/dbraw/zinc/01/65/86/215016586.db2.gz VLIMJDPUXYKLDY-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000331570987 215016795 /nfs/dbraw/zinc/01/67/95/215016795.db2.gz VLIMJDPUXYKLDY-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331581975 215018512 /nfs/dbraw/zinc/01/85/12/215018512.db2.gz FUBDMSVYUDQTNJ-YQQAZPJKSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCCCC1 ZINC000331711146 215037648 /nfs/dbraw/zinc/03/76/48/215037648.db2.gz KUYXLYZIBAOEPO-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC[C@@H]21 ZINC000332059765 215084703 /nfs/dbraw/zinc/08/47/03/215084703.db2.gz XGBSKAMWKMQWRX-ZACQAIPSSA-N 2 0 350.507 0.953 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)CC1 ZINC000332074837 215087093 /nfs/dbraw/zinc/08/70/93/215087093.db2.gz FGJTXUDPNOCUAW-OFLPRAFFSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000332268038 215119823 /nfs/dbraw/zinc/11/98/23/215119823.db2.gz GAMVFWLADYKAHE-INMHGKMJSA-N 2 0 366.506 0.284 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)C1 ZINC000332343395 215133731 /nfs/dbraw/zinc/13/37/31/215133731.db2.gz SOIJRXKNFTURDZ-KSWRQPAISA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000332386486 215142743 /nfs/dbraw/zinc/14/27/43/215142743.db2.gz YCRMOUDDSDTLFF-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332375784 215139988 /nfs/dbraw/zinc/13/99/88/215139988.db2.gz RMGZSXNDGWMQJZ-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000332501720 215161154 /nfs/dbraw/zinc/16/11/54/215161154.db2.gz WFAZVMILOZFCMA-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@@H]1C[NH3+] ZINC000332654507 215199042 /nfs/dbraw/zinc/19/90/42/215199042.db2.gz MEVXNIXKJFJHNQ-PVAVHDDUSA-N 2 0 350.507 0.620 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[NH+](C2CCCC2)CC1 ZINC000333272787 215256894 /nfs/dbraw/zinc/25/68/94/215256894.db2.gz GIJCSEPQIWWNHP-UHFFFAOYSA-N 2 0 359.478 0.978 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333279523 215258321 /nfs/dbraw/zinc/25/83/21/215258321.db2.gz HIYJZYLFBVUSEY-GOEBONIOSA-N 2 0 359.478 0.977 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000333295021 215260416 /nfs/dbraw/zinc/26/04/16/215260416.db2.gz JTGUJDPKKUALGP-MRXNPFEDSA-N 2 0 359.478 0.978 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490587 215288755 /nfs/dbraw/zinc/28/87/55/215288755.db2.gz DGDIVXZQLQROBN-UKRRQHHQSA-N 2 0 363.428 0.560 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501142 215290051 /nfs/dbraw/zinc/29/00/51/215290051.db2.gz FLFOUBPFLITMLL-MGPQQGTHSA-N 2 0 363.428 0.701 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333639487 215303538 /nfs/dbraw/zinc/30/35/38/215303538.db2.gz HWKVOZRLXSMPOJ-XHSDSOJGSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)[N@H+]1CCO ZINC000333616537 215302199 /nfs/dbraw/zinc/30/21/99/215302199.db2.gz OYJWRQRVQWOBJQ-IYBDPMFKSA-N 2 0 355.527 0.109 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000333676010 215307863 /nfs/dbraw/zinc/30/78/63/215307863.db2.gz NYEPDMCTIVRBEK-RDBSUJKOSA-N 2 0 365.444 0.947 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333691274 215309184 /nfs/dbraw/zinc/30/91/84/215309184.db2.gz PTWGWSWKYSFMKF-CYBMUJFWSA-N 2 0 351.417 0.558 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333715966 215311767 /nfs/dbraw/zinc/31/17/67/215311767.db2.gz NBWIZGZKZXKOLG-QZTJIDSGSA-N 2 0 368.522 0.776 20 0 FCADRP C[C@H](NC(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863985 215325694 /nfs/dbraw/zinc/32/56/94/215325694.db2.gz QNPJXWGYWXLWPB-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773206 213392924 /nfs/dbraw/zinc/39/29/24/213392924.db2.gz FDLBMYYIZQEUJL-DOTOQJQBSA-N 2 0 359.474 0.783 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334069552 215340831 /nfs/dbraw/zinc/34/08/31/215340831.db2.gz GFHGXZIQUDGLKC-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP CC[N@@H+]1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334115998 215346290 /nfs/dbraw/zinc/34/62/90/215346290.db2.gz HEYMQPOTRMFBJG-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000360915867 215375553 /nfs/dbraw/zinc/37/55/53/215375553.db2.gz ZOYDZMQLTTVYDX-XHSDSOJGSA-N 2 0 369.506 0.875 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013893 215379611 /nfs/dbraw/zinc/37/96/11/215379611.db2.gz WQTVKSRDDBJOIE-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)Cn1cccn1 ZINC000285407067 213337469 /nfs/dbraw/zinc/33/74/69/213337469.db2.gz ISDILZKSCBFOAA-FQEVSTJZSA-N 2 0 357.502 0.994 20 0 FCADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)Cn1cccn1 ZINC000285407072 213336897 /nfs/dbraw/zinc/33/68/97/213336897.db2.gz ISDILZKSCBFOAA-HXUWFJFHSA-N 2 0 357.502 0.994 20 0 FCADRP CCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000362258253 215423613 /nfs/dbraw/zinc/42/36/13/215423613.db2.gz QRJOBFMKUAHOEJ-UHFFFAOYSA-N 2 0 374.551 0.492 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000284944268 213254768 /nfs/dbraw/zinc/25/47/68/213254768.db2.gz RDRSFSXIQRWUCA-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000284501064 213155676 /nfs/dbraw/zinc/15/56/76/213155676.db2.gz PYLKVKLIIDLNGF-GOSISDBHSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284137824 213082883 /nfs/dbraw/zinc/08/28/83/213082883.db2.gz DMLDUAGETINGGO-DLBZAZTESA-N 2 0 362.474 0.913 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849029 213019930 /nfs/dbraw/zinc/01/99/30/213019930.db2.gz FRSFOCJAAOSIRM-SJORKVTESA-N 2 0 362.474 0.242 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366595517 216001675 /nfs/dbraw/zinc/00/16/75/216001675.db2.gz GUDILJHSFNLXSD-KFWWJZLASA-N 2 0 353.429 0.884 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@H](CF)C1 ZINC000413205295 237294724 /nfs/dbraw/zinc/29/47/24/237294724.db2.gz ORXVFYZVYOLCAT-QGZVFWFLSA-N 2 0 365.453 0.974 20 0 FCADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000366915309 216048734 /nfs/dbraw/zinc/04/87/34/216048734.db2.gz SPTUAIUNMNXICQ-UHFFFAOYSA-N 2 0 362.518 0.875 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413808311 237383770 /nfs/dbraw/zinc/38/37/70/237383770.db2.gz HRHBQDZQUWDNKO-QGZVFWFLSA-N 2 0 353.507 0.985 20 0 FCADRP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)NCC(C)(C)N1CCOCC1 ZINC000367598910 216140971 /nfs/dbraw/zinc/14/09/71/216140971.db2.gz AQUTYDVZWAPCDG-OLEVXBPZSA-N 2 0 351.491 0.569 20 0 FCADRP CC[N@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)C1CC1 ZINC000367777280 216160943 /nfs/dbraw/zinc/16/09/43/216160943.db2.gz RIHMFBMFMQUGCF-ZXFUBFMLSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCN(C)CC1 ZINC000245883983 209375715 /nfs/dbraw/zinc/37/57/15/209375715.db2.gz BLJBTMDFMAQAFD-KZNAEPCWSA-N 2 0 351.539 0.996 20 0 FCADRP CN1CCN([C@@H](C(=O)NCCCN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000237229149 209348610 /nfs/dbraw/zinc/34/86/10/209348610.db2.gz PDARRWZEGWBQBX-LJQANCHMSA-N 2 0 359.518 0.387 20 0 FCADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237531216 209354493 /nfs/dbraw/zinc/35/44/93/209354493.db2.gz FYALAXDPGARYNR-SUMWQHHRSA-N 2 0 350.438 0.743 20 0 FCADRP CN1CCN(C(=O)Cc2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000237193645 209349216 /nfs/dbraw/zinc/34/92/16/209349216.db2.gz UGDFGVACZYTRBQ-GOSISDBHSA-N 2 0 374.485 0.710 20 0 FCADRP COC(=O)Cn1cc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nn1 ZINC000368444988 216248467 /nfs/dbraw/zinc/24/84/67/216248467.db2.gz GFFXXJSUTZVLDY-UHFFFAOYSA-N 2 0 365.478 0.428 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000192765517 209305528 /nfs/dbraw/zinc/30/55/28/209305528.db2.gz DGSOYMSVQIMYGT-UHFFFAOYSA-N 2 0 374.533 0.719 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000368833509 216305383 /nfs/dbraw/zinc/30/53/83/216305383.db2.gz JVSACJGEJJPOAS-ROUUACIJSA-N 2 0 366.550 0.972 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000369333354 216384131 /nfs/dbraw/zinc/38/41/31/216384131.db2.gz BMHXCJKPBYHPPG-PKOBYXMFSA-N 2 0 357.539 0.889 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369395059 216393541 /nfs/dbraw/zinc/39/35/41/216393541.db2.gz YFJXZCGLFYUOCW-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369401757 216396163 /nfs/dbraw/zinc/39/61/63/216396163.db2.gz NSCXIXVRIPQLCS-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000190016074 209265440 /nfs/dbraw/zinc/26/54/40/209265440.db2.gz QRAXLIAPZZRPBU-HNNXBMFYSA-N 2 0 362.478 0.470 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000189563589 209256275 /nfs/dbraw/zinc/25/62/75/209256275.db2.gz VCOYPTCJWAAUNM-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277757784 212394849 /nfs/dbraw/zinc/39/48/49/212394849.db2.gz JTPXBOOFCUYICB-IRXDYDNUSA-N 2 0 373.457 0.381 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000188945775 209241971 /nfs/dbraw/zinc/24/19/71/209241971.db2.gz MMCFDDPBRRJGLV-SJORKVTESA-N 2 0 369.554 0.357 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000187140390 209205292 /nfs/dbraw/zinc/20/52/92/209205292.db2.gz YFKLVSUEKSJVOF-UHFFFAOYSA-N 2 0 358.552 0.961 20 0 FCADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN(CCO)CC1 ZINC000186280844 209188715 /nfs/dbraw/zinc/18/87/15/209188715.db2.gz DBQMILFSCDPRIE-UHFFFAOYSA-N 2 0 374.485 0.400 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275634711 212065001 /nfs/dbraw/zinc/06/50/01/212065001.db2.gz RAMUTFIROKZCFM-UHFFFAOYSA-N 2 0 364.490 0.766 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000275420714 212024709 /nfs/dbraw/zinc/02/47/09/212024709.db2.gz MMNZEBIZKXPJKT-GOSISDBHSA-N 2 0 350.463 0.158 20 0 FCADRP COc1ccc(C[N@H+](CCO)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c(OC)c1 ZINC000414701239 245313804 /nfs/dbraw/zinc/31/38/04/245313804.db2.gz UMAWODSEAHEQFS-HNNXBMFYSA-N 2 0 365.474 0.695 20 0 FCADRP C[C@@H]1C[C@@H](C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752405 245319226 /nfs/dbraw/zinc/31/92/26/245319226.db2.gz BVRJUZGSPVMWQV-NEPJUHHUSA-N 2 0 372.457 0.825 20 0 FCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414899481 245331184 /nfs/dbraw/zinc/33/11/84/245331184.db2.gz BYTHGUJFGVZOQG-CYBMUJFWSA-N 2 0 362.430 0.180 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088296 245345063 /nfs/dbraw/zinc/34/50/63/245345063.db2.gz WGOHRXSXZAGJKC-DLBZAZTESA-N 2 0 374.485 0.453 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415292710 245379808 /nfs/dbraw/zinc/37/98/08/245379808.db2.gz KFLOPFMXYQSGEP-MRXNPFEDSA-N 2 0 359.474 0.322 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000415331104 245390484 /nfs/dbraw/zinc/39/04/84/245390484.db2.gz ZXDOYXWHHAVHDN-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415339062 245392483 /nfs/dbraw/zinc/39/24/83/245392483.db2.gz AXKPTNOKXCSJQY-OAHLLOKOSA-N 2 0 359.474 0.193 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000415354962 245395705 /nfs/dbraw/zinc/39/57/05/245395705.db2.gz OEXUIBYCVCBETO-ZDUSSCGKSA-N 2 0 361.446 0.465 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374171846 217105004 /nfs/dbraw/zinc/10/50/04/217105004.db2.gz KHGRMCVCAFOQRF-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891211 209154367 /nfs/dbraw/zinc/15/43/67/209154367.db2.gz KPAZKKJJVWYXDS-CQSZACIVSA-N 2 0 350.467 0.660 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237312 217238042 /nfs/dbraw/zinc/23/80/42/217238042.db2.gz NHIBQZQKMZGNTA-OAHLLOKOSA-N 2 0 365.522 0.713 20 0 FCADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CC12CC[NH2+]CC2 ZINC000375704872 217300777 /nfs/dbraw/zinc/30/07/77/217300777.db2.gz NWZHSPLOFHPYTI-PMPSAXMXSA-N 2 0 361.490 0.880 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542248 245705806 /nfs/dbraw/zinc/70/58/06/245705806.db2.gz DHAVVUVENRVNHS-CRAIPNDOSA-N 2 0 373.501 0.887 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623660 245807988 /nfs/dbraw/zinc/80/79/88/245807988.db2.gz XIIJORFERLKJSL-STQMWFEESA-N 2 0 351.417 0.558 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418609600 245802827 /nfs/dbraw/zinc/80/28/27/245802827.db2.gz GAWVVNWSWMBUJP-YNEHKIRRSA-N 2 0 351.417 0.591 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807856 245835230 /nfs/dbraw/zinc/83/52/30/245835230.db2.gz QIFDLEMRMRMOIQ-KGLIPLIRSA-N 2 0 354.495 0.454 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419031131 245947771 /nfs/dbraw/zinc/94/77/71/245947771.db2.gz ILDHVWMERZVYMX-OAHLLOKOSA-N 2 0 368.547 0.804 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419131082 246006166 /nfs/dbraw/zinc/00/61/66/246006166.db2.gz CBPXZAIXWNOLLP-CVEARBPZSA-N 2 0 362.474 0.629 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419152115 246019204 /nfs/dbraw/zinc/01/92/04/246019204.db2.gz OAUYCWSDYGWUNZ-VBNZEHGJSA-N 2 0 350.438 0.535 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000419156215 246021827 /nfs/dbraw/zinc/02/18/27/246021827.db2.gz SNRAEESHHKJCMC-SJORKVTESA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000419162164 246025617 /nfs/dbraw/zinc/02/56/17/246025617.db2.gz TVENEXZTKCRWEX-MRXNPFEDSA-N 2 0 368.522 0.579 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419135037 246008579 /nfs/dbraw/zinc/00/85/79/246008579.db2.gz LPOKAKSKVOGYRV-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419140338 246012048 /nfs/dbraw/zinc/01/20/48/246012048.db2.gz VRJAKILRQHCHAY-SFHVURJKSA-N 2 0 356.470 0.803 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419140784 246013645 /nfs/dbraw/zinc/01/36/45/246013645.db2.gz WCRYCHNVBNUPRX-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419146091 246014955 /nfs/dbraw/zinc/01/49/55/246014955.db2.gz HLRQEZNWVYUESP-OWCLPIDISA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419145785 246015823 /nfs/dbraw/zinc/01/58/23/246015823.db2.gz HUBPJDUSHHHXOM-HUUCEWRRSA-N 2 0 362.474 0.439 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419149228 246016657 /nfs/dbraw/zinc/01/66/57/246016657.db2.gz KWAYUIVUGRNEBQ-SJORKVTESA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419162677 246026729 /nfs/dbraw/zinc/02/67/29/246026729.db2.gz HRXUFQVIFBUYAL-RDJZCZTQSA-N 2 0 362.474 0.105 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419165406 246028382 /nfs/dbraw/zinc/02/83/82/246028382.db2.gz GIMRWVKKOBFTTQ-GBESFXJTSA-N 2 0 370.497 0.345 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419168068 246030033 /nfs/dbraw/zinc/03/00/33/246030033.db2.gz JYNQCAPYGONCDA-ZNMIVQPWSA-N 2 0 354.495 0.452 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000419175747 246034969 /nfs/dbraw/zinc/03/49/69/246034969.db2.gz XZYHDHUPKYRIML-IBGZPJMESA-N 2 0 372.513 0.865 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419181134 246040255 /nfs/dbraw/zinc/04/02/55/246040255.db2.gz XXKPGFRDKKRAAU-OWCLPIDISA-N 2 0 373.501 0.932 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419216426 246060401 /nfs/dbraw/zinc/06/04/01/246060401.db2.gz PNLPEVSGDRBPPZ-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419217337 246061388 /nfs/dbraw/zinc/06/13/88/246061388.db2.gz QOJFMKUYOOKDFG-GASCZTMLSA-N 2 0 362.474 0.248 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000419197638 246048746 /nfs/dbraw/zinc/04/87/46/246048746.db2.gz XZZIDVVGWWZLRK-SFHVURJKSA-N 2 0 358.486 0.663 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000419201168 246050126 /nfs/dbraw/zinc/05/01/26/246050126.db2.gz FTDWXBGKXKNCLC-HXUWFJFHSA-N 2 0 374.485 0.455 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCC3C[NH2+]C3)cc2)C1 ZINC000419204834 246053157 /nfs/dbraw/zinc/05/31/57/246053157.db2.gz JHSAGODMEKWWMV-OAHLLOKOSA-N 2 0 358.486 0.870 20 0 FCADRP CCN(CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)CCC(F)(F)F ZINC000419206688 246053528 /nfs/dbraw/zinc/05/35/28/246053528.db2.gz LCXLWFZUGNQQKT-LBPRGKRZSA-N 2 0 366.428 0.963 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C[C@@H]21 ZINC000419228626 246067958 /nfs/dbraw/zinc/06/79/58/246067958.db2.gz MOHKARMAIDUCAQ-ZJPYXAASSA-N 2 0 362.518 0.953 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419228603 246067997 /nfs/dbraw/zinc/06/79/97/246067997.db2.gz MLVAIFVONPNJSL-NUJGCVRESA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231194 246069197 /nfs/dbraw/zinc/06/91/97/246069197.db2.gz RKBBFDHGVRXPQX-NUEKZKHPSA-N 2 0 366.506 0.596 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419234955 246071557 /nfs/dbraw/zinc/07/15/57/246071557.db2.gz YEXFZEFTHKXXMI-RYRKJORJSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419233887 246072035 /nfs/dbraw/zinc/07/20/35/246072035.db2.gz WVPZNORLGKCKKC-XIRDDKMYSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419243680 246075327 /nfs/dbraw/zinc/07/53/27/246075327.db2.gz SVRZCUORZMNSPK-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419264528 246081026 /nfs/dbraw/zinc/08/10/26/246081026.db2.gz BGZYWOVTBQEEQR-HDICACEKSA-N 2 0 356.470 0.576 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310359 246096025 /nfs/dbraw/zinc/09/60/25/246096025.db2.gz QZBHVVNBNPSBKE-XJKSGUPXSA-N 2 0 366.506 0.739 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000419340932 246102686 /nfs/dbraw/zinc/10/26/86/246102686.db2.gz NSWOIIIWTHBZIT-SFHVURJKSA-N 2 0 373.501 0.763 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000419335129 246103503 /nfs/dbraw/zinc/10/35/03/246103503.db2.gz JJTWFKWEFWBLNN-UHFFFAOYSA-N 2 0 373.501 0.940 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000419341238 246106824 /nfs/dbraw/zinc/10/68/24/246106824.db2.gz OCSZRNOKJJKILV-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000419371926 246122354 /nfs/dbraw/zinc/12/23/54/246122354.db2.gz LRGFQUFBDZLSGO-IAGOWNOFSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419373734 246122424 /nfs/dbraw/zinc/12/24/24/246122424.db2.gz MXVNARRPZRXOMT-QAPCUYQASA-N 2 0 372.513 0.706 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000419370745 246122737 /nfs/dbraw/zinc/12/27/37/246122737.db2.gz HSTDQBFYNPPTAI-HXUWFJFHSA-N 2 0 370.497 0.414 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419371419 246123198 /nfs/dbraw/zinc/12/31/98/246123198.db2.gz IZLGOLITNWCRNZ-KRWDZBQOSA-N 2 0 360.502 0.836 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381548 246124245 /nfs/dbraw/zinc/12/42/45/246124245.db2.gz YIUKBCPZELHTEA-SJORKVTESA-N 2 0 358.486 0.588 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419375634 246124961 /nfs/dbraw/zinc/12/49/61/246124961.db2.gz RSRVMJWVSPRQAN-DLBZAZTESA-N 2 0 368.522 0.435 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419349065 246111916 /nfs/dbraw/zinc/11/19/16/246111916.db2.gz YAUMUSGFJMCVDJ-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419412427 246146172 /nfs/dbraw/zinc/14/61/72/246146172.db2.gz REFFMTONEOAEOV-MSOLQXFVSA-N 2 0 358.486 0.793 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000419416331 246149272 /nfs/dbraw/zinc/14/92/72/246149272.db2.gz IZDALGCUELBCJI-UHFFFAOYSA-N 2 0 373.501 0.265 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419402146 246136637 /nfs/dbraw/zinc/13/66/37/246136637.db2.gz BHOIEANEHWFMJN-QZTJIDSGSA-N 2 0 358.486 0.793 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000419408026 246140835 /nfs/dbraw/zinc/14/08/35/246140835.db2.gz LFMXBSLAXHLGHV-YYIAUSFCSA-N 2 0 352.523 0.914 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000419409262 246141266 /nfs/dbraw/zinc/14/12/66/246141266.db2.gz MVHUJFXSFNJCRQ-INIZCTEOSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419408024 246142538 /nfs/dbraw/zinc/14/25/38/246142538.db2.gz LFMXBSLAXHLGHV-YVSFHVDLSA-N 2 0 352.523 0.914 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419411892 246145835 /nfs/dbraw/zinc/14/58/35/246145835.db2.gz CBHNFDYBBZIIRI-GOSISDBHSA-N 2 0 358.486 0.809 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419421344 246154537 /nfs/dbraw/zinc/15/45/37/246154537.db2.gz OWAKLYXGIPVEJP-MRXNPFEDSA-N 2 0 361.490 0.121 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419428465 246159655 /nfs/dbraw/zinc/15/96/55/246159655.db2.gz STYRJFRKHAQPKA-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]1 ZINC000419419035 246151555 /nfs/dbraw/zinc/15/15/55/246151555.db2.gz YSHPSUORGHJZLC-UHOFOFEASA-N 2 0 350.438 0.801 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419417699 246152011 /nfs/dbraw/zinc/15/20/11/246152011.db2.gz XNTKPJBKPKDKKA-ZTFGCOKTSA-N 2 0 358.486 0.745 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419418770 246152422 /nfs/dbraw/zinc/15/24/22/246152422.db2.gz YLCMCOQTYYZSMY-SFHVURJKSA-N 2 0 358.486 0.761 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419504356 246184185 /nfs/dbraw/zinc/18/41/85/246184185.db2.gz GOUJCESMACYHKQ-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419510895 246186492 /nfs/dbraw/zinc/18/64/92/246186492.db2.gz WSFJVXWNTYLZNI-JZXOWHBKSA-N 2 0 358.486 0.834 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419525585 246191379 /nfs/dbraw/zinc/19/13/79/246191379.db2.gz ROJPYLWKDXMBQL-JLJPHGGASA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525134 246191852 /nfs/dbraw/zinc/19/18/52/246191852.db2.gz CXAWWCJVXFHVJJ-CRAIPNDOSA-N 2 0 358.486 0.834 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528323 246191923 /nfs/dbraw/zinc/19/19/23/246191923.db2.gz CAMNZOGAIXQJNE-SJORKVTESA-N 2 0 362.474 0.290 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419525117 246192170 /nfs/dbraw/zinc/19/21/70/246192170.db2.gz CVTDEAFUZJUXAK-ONIAQPFYSA-N 2 0 358.486 0.819 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419525838 246192326 /nfs/dbraw/zinc/19/23/26/246192326.db2.gz DPCYWXISFBMLPW-SZMVWBNQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419474088 246176394 /nfs/dbraw/zinc/17/63/94/246176394.db2.gz BMJHUEIPBZFDDT-APWZRJJASA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419474090 246177175 /nfs/dbraw/zinc/17/71/75/246177175.db2.gz BMJHUEIPBZFDDT-QFBILLFUSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419482366 246178565 /nfs/dbraw/zinc/17/85/65/246178565.db2.gz QIUYCISVWYZTGU-ZACQAIPSSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419586245 246212297 /nfs/dbraw/zinc/21/22/97/246212297.db2.gz MPJWNYFFBADYCL-VYDXJSESSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000419590662 246212345 /nfs/dbraw/zinc/21/23/45/246212345.db2.gz UNHBHPHLLRZSTL-KRWDZBQOSA-N 2 0 356.536 0.388 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533368 246194567 /nfs/dbraw/zinc/19/45/67/246194567.db2.gz OUDJNMKKGPDAPY-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534579 246194908 /nfs/dbraw/zinc/19/49/08/246194908.db2.gz QMRWYJUTMFIDJZ-QAPCUYQASA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419536467 246196040 /nfs/dbraw/zinc/19/60/40/246196040.db2.gz ULDPUTCXNXXOMY-YSHGAJCASA-N 2 0 370.497 0.691 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419661535 246235693 /nfs/dbraw/zinc/23/56/93/246235693.db2.gz FQIZGKOKUGVHHB-UHFFFAOYSA-N 2 0 355.389 0.124 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419635244 246224176 /nfs/dbraw/zinc/22/41/76/246224176.db2.gz CRRGHEUTXCSWTA-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649696 246231246 /nfs/dbraw/zinc/23/12/46/246231246.db2.gz UIGMHOWLXIJIAZ-IUODEOHRSA-N 2 0 352.479 0.206 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000419650364 246231572 /nfs/dbraw/zinc/23/15/72/246231572.db2.gz CVDMDZNQPPPXCI-OWYHZJEWSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419720053 246269597 /nfs/dbraw/zinc/26/95/97/246269597.db2.gz DIHOLKTUAFKENU-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419720007 246269633 /nfs/dbraw/zinc/26/96/33/246269633.db2.gz HDJCXPDNASANFK-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000419672090 246240131 /nfs/dbraw/zinc/24/01/31/246240131.db2.gz AASMFJVZBMMBPV-CQSZACIVSA-N 2 0 354.520 0.318 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000419678890 246246376 /nfs/dbraw/zinc/24/63/76/246246376.db2.gz DZJZYDPDQCVNTG-UHFFFAOYSA-N 2 0 366.506 0.525 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[NH2+]1 ZINC000419685439 246250476 /nfs/dbraw/zinc/25/04/76/246250476.db2.gz WIGIEVDQBBDURI-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419687400 246250664 /nfs/dbraw/zinc/25/06/64/246250664.db2.gz PHVKNGDAFIBOBL-OAHLLOKOSA-N 2 0 352.479 0.087 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1 ZINC000419689967 246252861 /nfs/dbraw/zinc/25/28/61/246252861.db2.gz JSDVAVIQFIBVFB-UHFFFAOYSA-N 2 0 354.520 0.462 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000419697298 246254391 /nfs/dbraw/zinc/25/43/91/246254391.db2.gz WJXKZLPTCKHVHI-UHFFFAOYSA-N 2 0 368.547 0.662 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419701913 246258745 /nfs/dbraw/zinc/25/87/45/246258745.db2.gz BLDPJDWPTXOPBM-CYGHRXIMSA-N 2 0 358.486 0.961 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419708180 246261302 /nfs/dbraw/zinc/26/13/02/246261302.db2.gz GWUQHXHEOSKYHE-ZDUSSCGKSA-N 2 0 366.893 0.786 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000419709811 246262747 /nfs/dbraw/zinc/26/27/47/246262747.db2.gz KMVJYPVCNXUBGP-QAPCUYQASA-N 2 0 360.502 0.993 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419712836 246265632 /nfs/dbraw/zinc/26/56/32/246265632.db2.gz UMOOEPGUMSFAHM-MAUKXSAKSA-N 2 0 356.470 0.802 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419714390 246266192 /nfs/dbraw/zinc/26/61/92/246266192.db2.gz XUQAXFWAERWFCZ-NVXWUHKLSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754157 246284219 /nfs/dbraw/zinc/28/42/19/246284219.db2.gz BQGOPUPJBBOBMK-CZUORRHYSA-N 2 0 350.438 0.630 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419755539 246286929 /nfs/dbraw/zinc/28/69/29/246286929.db2.gz DJQSWCZHNHHEAQ-CVEARBPZSA-N 2 0 362.449 0.442 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419816986 246306475 /nfs/dbraw/zinc/30/64/75/246306475.db2.gz LSTKHCOHNLAUGK-QZTJIDSGSA-N 2 0 374.485 0.802 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419762373 246289867 /nfs/dbraw/zinc/28/98/67/246289867.db2.gz RVJWDLVZIUAQLI-LJQANCHMSA-N 2 0 364.465 0.880 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419769095 246290533 /nfs/dbraw/zinc/29/05/33/246290533.db2.gz DACMQGRNUVCVIX-IHRRRGAJSA-N 2 0 354.495 0.452 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000419805307 246302251 /nfs/dbraw/zinc/30/22/51/246302251.db2.gz DIMZNIMHFSBVRL-QAPCUYQASA-N 2 0 374.485 0.769 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419808074 246304331 /nfs/dbraw/zinc/30/43/31/246304331.db2.gz GMRKNWVLLHCRLP-YOEHRIQHSA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814102 246304493 /nfs/dbraw/zinc/30/44/93/246304493.db2.gz KFNBIKBZIQPHTQ-SJLPKXTDSA-N 2 0 374.485 0.898 20 0 FCADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419822145 246305345 /nfs/dbraw/zinc/30/53/45/246305345.db2.gz OXJGRSANTMQHPI-UHFFFAOYSA-N 2 0 354.495 0.071 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000419872545 246339410 /nfs/dbraw/zinc/33/94/10/246339410.db2.gz YKCKGSIIXVRRCY-KRWDZBQOSA-N 2 0 374.485 0.325 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419828301 246307298 /nfs/dbraw/zinc/30/72/98/246307298.db2.gz URAASRREOAZROA-RHSMWYFYSA-N 2 0 362.474 0.659 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419826649 246307945 /nfs/dbraw/zinc/30/79/45/246307945.db2.gz SFVAJURQNUWTQM-KRWDZBQOSA-N 2 0 362.474 0.674 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419840593 246315079 /nfs/dbraw/zinc/31/50/79/246315079.db2.gz DJQVAXWLBGSVOU-GASCZTMLSA-N 2 0 354.495 0.060 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000419843763 246316528 /nfs/dbraw/zinc/31/65/28/246316528.db2.gz BGCXWGUEILDNRM-DLBZAZTESA-N 2 0 359.474 0.230 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419843100 246317181 /nfs/dbraw/zinc/31/71/81/246317181.db2.gz WYAKYXACKCZOCF-HUUCEWRRSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419841688 246317207 /nfs/dbraw/zinc/31/72/07/246317207.db2.gz KOLPHGASOIAYRE-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419854435 246324164 /nfs/dbraw/zinc/32/41/64/246324164.db2.gz GNFRTOKXVWTXQH-QRVBRYPASA-N 2 0 370.497 0.693 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419859207 246327840 /nfs/dbraw/zinc/32/78/40/246327840.db2.gz JHDTYPSEHHBQNM-CKEIUWERSA-N 2 0 366.506 0.188 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000419867799 246338322 /nfs/dbraw/zinc/33/83/22/246338322.db2.gz CXYDODCGKYAPFF-LSDHHAIUSA-N 2 0 350.463 0.864 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419933560 246374532 /nfs/dbraw/zinc/37/45/32/246374532.db2.gz FGHQZJNINMGVIO-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419876821 246343210 /nfs/dbraw/zinc/34/32/10/246343210.db2.gz IHCLZYQLPDNQHG-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000419877318 246344170 /nfs/dbraw/zinc/34/41/70/246344170.db2.gz PWDOPZNGBZQSAZ-HRCADAONSA-N 2 0 350.438 0.931 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419895465 246356074 /nfs/dbraw/zinc/35/60/74/246356074.db2.gz OSNQPJHZXSGHAP-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419903463 246359553 /nfs/dbraw/zinc/35/95/53/246359553.db2.gz WTHJFLJEUDBGSN-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901506 246359794 /nfs/dbraw/zinc/35/97/94/246359794.db2.gz UCITYINKWOZEOQ-HNNXBMFYSA-N 2 0 368.428 0.723 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419940985 246381674 /nfs/dbraw/zinc/38/16/74/246381674.db2.gz VZKBEWLYQHPJIW-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000419961511 246390928 /nfs/dbraw/zinc/39/09/28/246390928.db2.gz XHMUNXFIWPETNI-DLBZAZTESA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419973617 246396831 /nfs/dbraw/zinc/39/68/31/246396831.db2.gz GRDOJKPCQSAJID-HZPDHXFCSA-N 2 0 367.538 0.103 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420119327 246478506 /nfs/dbraw/zinc/47/85/06/246478506.db2.gz JNZUJPMIVDIASE-JKSUJKDBSA-N 2 0 354.495 0.191 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000423063050 246957843 /nfs/dbraw/zinc/95/78/43/246957843.db2.gz VJPBNVJKMMUEQD-JKSUJKDBSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423372233 247014449 /nfs/dbraw/zinc/01/44/49/247014449.db2.gz ICMYISNCWFOIHL-WMZOPIPTSA-N 2 0 374.485 0.296 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423375042 247014884 /nfs/dbraw/zinc/01/48/84/247014884.db2.gz IPUXSKPQRVHTBD-CALCHBBNSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423380236 247015108 /nfs/dbraw/zinc/01/51/08/247015108.db2.gz NKVGCPWIQGYXLU-IAGOWNOFSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423416071 247022231 /nfs/dbraw/zinc/02/22/31/247022231.db2.gz QAGLXSUBNSOZDM-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423313738 247003461 /nfs/dbraw/zinc/00/34/61/247003461.db2.gz XJIGGJQKDKAJIL-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423557778 247051544 /nfs/dbraw/zinc/05/15/44/247051544.db2.gz COIJRHCSGZXWRJ-PXNSSMCTSA-N 2 0 374.485 0.032 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558895 247051741 /nfs/dbraw/zinc/05/17/41/247051741.db2.gz LOCFGNXXQKFUND-OALUTQOASA-N 2 0 370.497 0.931 20 0 FCADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423583545 247062575 /nfs/dbraw/zinc/06/25/75/247062575.db2.gz KJCHZYBQIASDOE-OAHLLOKOSA-N 2 0 368.522 0.532 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423587259 247063166 /nfs/dbraw/zinc/06/31/66/247063166.db2.gz CLGJAVLPJMUHCN-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000423431073 247024631 /nfs/dbraw/zinc/02/46/31/247024631.db2.gz AGTFAWDRNIKATD-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423442320 247026939 /nfs/dbraw/zinc/02/69/39/247026939.db2.gz BPOIQXNVWKJLFH-HZPDHXFCSA-N 2 0 373.501 0.965 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423442742 247027560 /nfs/dbraw/zinc/02/75/60/247027560.db2.gz ZNMQYAKJNKHCCA-YESZJQIVSA-N 2 0 350.507 0.907 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423438659 247028092 /nfs/dbraw/zinc/02/80/92/247028092.db2.gz HCWNMWUWLHZBSZ-WNRNVDISSA-N 2 0 362.518 0.763 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000423453806 247031211 /nfs/dbraw/zinc/03/12/11/247031211.db2.gz YGSGQFVVKJNBNP-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423489485 247035029 /nfs/dbraw/zinc/03/50/29/247035029.db2.gz XEYCZJSSVOSTLZ-OKZBNKHCSA-N 2 0 356.470 0.384 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423481861 247036283 /nfs/dbraw/zinc/03/62/83/247036283.db2.gz OPVDOLVBESOQTP-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423496431 247038451 /nfs/dbraw/zinc/03/84/51/247038451.db2.gz DUBSGUIWWPHXOV-IYBDPMFKSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423680512 247106196 /nfs/dbraw/zinc/10/61/96/247106196.db2.gz MPAWFGCBILEVFA-INMHGKMJSA-N 2 0 366.506 0.426 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423680511 247106488 /nfs/dbraw/zinc/10/64/88/247106488.db2.gz MPAWFGCBILEVFA-HLLBOEOZSA-N 2 0 366.506 0.426 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423698969 247115306 /nfs/dbraw/zinc/11/53/06/247115306.db2.gz QDYXZGWQRFFONA-DOTOQJQBSA-N 2 0 368.522 0.674 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000423656146 247096384 /nfs/dbraw/zinc/09/63/84/247096384.db2.gz TZOANKHMQQFESS-YZUHTNEWSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000423656084 247096673 /nfs/dbraw/zinc/09/66/73/247096673.db2.gz TXWAFPSUAMOYHR-RDJZCZTQSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)[C@@H](C)C[NH2+]1 ZINC000423659551 247100040 /nfs/dbraw/zinc/10/00/40/247100040.db2.gz ZNNCPQHROLFSLW-GJZGRUSLSA-N 2 0 350.463 0.769 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)C2)C1 ZINC000423664869 247100891 /nfs/dbraw/zinc/10/08/91/247100891.db2.gz GYMPPRBGEHRGDI-FQEVSTJZSA-N 2 0 358.486 0.918 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423663209 247100924 /nfs/dbraw/zinc/10/09/24/247100924.db2.gz GINNTNDLJZHEST-SFHVURJKSA-N 2 0 358.486 0.918 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000423666508 247101060 /nfs/dbraw/zinc/10/10/60/247101060.db2.gz MJAPGXPHTNAZCB-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423745019 247137853 /nfs/dbraw/zinc/13/78/53/247137853.db2.gz NEYIJVZCJSILHP-WBVHZDCISA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423778581 247142471 /nfs/dbraw/zinc/14/24/71/247142471.db2.gz SZWAYCVHSKOPKW-HNNXBMFYSA-N 2 0 352.504 0.897 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000423724425 247126733 /nfs/dbraw/zinc/12/67/33/247126733.db2.gz HELAWIADQMYRQS-BBWFWOEESA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000423724449 247126812 /nfs/dbraw/zinc/12/68/12/247126812.db2.gz IEIHMBZVXZOWBR-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000424018062 247159941 /nfs/dbraw/zinc/15/99/41/247159941.db2.gz IFKHEBKJPZPVCZ-KRWDZBQOSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423726470 247128078 /nfs/dbraw/zinc/12/80/78/247128078.db2.gz UGQNANHFXMRNJP-RRFJBIMHSA-N 2 0 354.495 0.140 20 0 FCADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH2+]CC2 ZINC000424291363 247196103 /nfs/dbraw/zinc/19/61/03/247196103.db2.gz NQZLBJTVFHKINC-HNNXBMFYSA-N 2 0 374.485 0.631 20 0 FCADRP COCCN1C(=O)C[C@H](C[NH2+][C@@H](C)CCC[NH3+])[C@H]1c1cnn(C)c1C ZINC000424377194 247200832 /nfs/dbraw/zinc/20/08/32/247200832.db2.gz QNGVCAKADSJOOF-JOQOYGCGSA-N 2 0 351.495 0.982 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424058553 247164549 /nfs/dbraw/zinc/16/45/49/247164549.db2.gz LJYURUFHWCXVBL-AWEZNQCLSA-N 2 0 356.434 0.260 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000424486959 247236485 /nfs/dbraw/zinc/23/64/85/247236485.db2.gz AIWDUZWCDGMJNW-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424495178 247240180 /nfs/dbraw/zinc/24/01/80/247240180.db2.gz PPSUFHUMFGELAB-RYQLBKOJSA-N 2 0 356.470 0.540 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424522066 247250149 /nfs/dbraw/zinc/25/01/49/247250149.db2.gz MMWAZTHZVUYVNU-JKSUJKDBSA-N 2 0 366.506 0.204 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C)cc(C[NH3+])c3)C2)CC1 ZINC000424456692 247223656 /nfs/dbraw/zinc/22/36/56/247223656.db2.gz QDPMZBYFFFJARR-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425386228 247330400 /nfs/dbraw/zinc/33/04/00/247330400.db2.gz LSRYCUUWCTYVQU-ZWKOTPCHSA-N 2 0 358.486 0.739 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000436045443 248029688 /nfs/dbraw/zinc/02/96/88/248029688.db2.gz APUPVQRHNHOQKW-CQSZACIVSA-N 2 0 365.478 0.171 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000440091664 248155750 /nfs/dbraw/zinc/15/57/50/248155750.db2.gz YIVDHWDMODZPOQ-INIZCTEOSA-N 2 0 355.527 0.911 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000439240788 248116860 /nfs/dbraw/zinc/11/68/60/248116860.db2.gz XCWMBGJLBDDFLT-MSOLQXFVSA-N 2 0 355.523 0.989 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000440794934 248215536 /nfs/dbraw/zinc/21/55/36/248215536.db2.gz HMEYDUFEVOCOLT-GPANFISMSA-N 2 0 353.511 0.746 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441094307 248237703 /nfs/dbraw/zinc/23/77/03/248237703.db2.gz PMDKEYOBLBRMQS-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253163 248245658 /nfs/dbraw/zinc/24/56/58/248245658.db2.gz AKXJDFIVTYXRNM-OKZBNKHCSA-N 2 0 352.523 0.770 20 0 FCADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CCSCC1 ZINC000442656223 248294200 /nfs/dbraw/zinc/29/42/00/248294200.db2.gz WAXKIRNNCWAXCC-CABCVRRESA-N 2 0 356.536 0.483 20 0 FCADRP CC1(C)CCC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000445150061 248374307 /nfs/dbraw/zinc/37/43/07/248374307.db2.gz HHIVWUJJCOXSCT-INIZCTEOSA-N 2 0 367.538 0.995 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000452566569 249322429 /nfs/dbraw/zinc/32/24/29/249322429.db2.gz XWFUVODJJRCBTI-UGUYLWEFSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000452982239 249339740 /nfs/dbraw/zinc/33/97/40/249339740.db2.gz XYMBDXBFXUBGED-YPLQCARHSA-N 2 0 362.518 0.584 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)ccn1 ZINC000270728657 211255318 /nfs/dbraw/zinc/25/53/18/211255318.db2.gz YAEHKICJHUSFBT-KRWDZBQOSA-N 2 0 353.467 0.134 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270664001 211242651 /nfs/dbraw/zinc/24/26/51/211242651.db2.gz KPIVVPCVPHKHSN-GOSISDBHSA-N 2 0 373.501 0.772 20 0 FCADRP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000470009096 250021825 /nfs/dbraw/zinc/02/18/25/250021825.db2.gz PBSKHHXHGDFKQV-HNNXBMFYSA-N 2 0 365.478 0.350 20 0 FCADRP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007386 250021025 /nfs/dbraw/zinc/02/10/25/250021025.db2.gz BJGPXUFQWVZRQI-ZBFHGGJFSA-N 2 0 363.458 0.914 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@]1(O)CCOC1 ZINC000270170508 211161718 /nfs/dbraw/zinc/16/17/18/211161718.db2.gz UFDTUTAXOXRMCS-SFHVURJKSA-N 2 0 363.462 0.044 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470887286 250069547 /nfs/dbraw/zinc/06/95/47/250069547.db2.gz CARDWPCANYSVOG-DLBZAZTESA-N 2 0 365.522 0.701 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964909 250082298 /nfs/dbraw/zinc/08/22/98/250082298.db2.gz BVBNHXQLIGHFOB-QGZVFWFLSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000471655857 250113211 /nfs/dbraw/zinc/11/32/11/250113211.db2.gz YYVCRDNVLGRLSP-SJORKVTESA-N 2 0 355.527 0.232 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000472172568 250135872 /nfs/dbraw/zinc/13/58/72/250135872.db2.gz OJAOKJIIYDNBTP-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCCN2CCOCC2)C1 ZINC000472918062 250188737 /nfs/dbraw/zinc/18/87/37/250188737.db2.gz LROOEJILCJVOQF-KRWDZBQOSA-N 2 0 356.511 0.851 20 0 FCADRP CC(C)N(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000473021331 250195384 /nfs/dbraw/zinc/19/53/84/250195384.db2.gz IWSMJLYTINTNPX-IRXDYDNUSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084907 250270357 /nfs/dbraw/zinc/27/03/57/250270357.db2.gz ZWVUTQUVYYWQGN-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCN(C)CC1 ZINC000481018338 250309470 /nfs/dbraw/zinc/30/94/70/250309470.db2.gz DPZINDSRKNULCE-SJLPKXTDSA-N 2 0 371.595 0.995 20 0 FCADRP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCN(C)CC1 ZINC000481697200 250349828 /nfs/dbraw/zinc/34/98/28/250349828.db2.gz PHWOLYJXRARBCK-DOTOQJQBSA-N 2 0 357.568 0.606 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000481769106 250357451 /nfs/dbraw/zinc/35/74/51/250357451.db2.gz JMOCNYNFEQQRFT-XHSDSOJGSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000500087315 250785039 /nfs/dbraw/zinc/78/50/39/250785039.db2.gz GBBPAHABLAIASY-UHFFFAOYSA-N 2 0 360.568 0.758 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413049652 532992453 /nfs/dbraw/zinc/99/24/53/532992453.db2.gz UTFUHMVFAFXLEK-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+](C)C1 ZINC000413253050 532993760 /nfs/dbraw/zinc/99/37/60/532993760.db2.gz TZHMVQBRSGEYOG-JKSUJKDBSA-N 2 0 354.495 0.853 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000069016789 208031437 /nfs/dbraw/zinc/03/14/37/208031437.db2.gz GHGBEPFJZPULGV-HUUCEWRRSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000093187956 208154590 /nfs/dbraw/zinc/15/45/90/208154590.db2.gz VXHBWEKKTSIEJG-QZTJIDSGSA-N 2 0 366.550 0.972 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216235 208293647 /nfs/dbraw/zinc/29/36/47/208293647.db2.gz MFFODABXOFVUIK-MSOLQXFVSA-N 2 0 368.522 0.851 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000118971194 208353870 /nfs/dbraw/zinc/35/38/70/208353870.db2.gz BYCZTXLRTRZZOO-HNNXBMFYSA-N 2 0 362.474 0.942 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000131898799 208661688 /nfs/dbraw/zinc/66/16/88/208661688.db2.gz RBNYJGNQGAYKKD-SFHVURJKSA-N 2 0 350.463 0.158 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000177049008 209014668 /nfs/dbraw/zinc/01/46/68/209014668.db2.gz CZISCTBVTNDPQT-INIZCTEOSA-N 2 0 364.465 0.784 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173952914 229213352 /nfs/dbraw/zinc/21/33/52/229213352.db2.gz ZMTGQYAZONHREL-UHFFFAOYSA-N 2 0 365.526 0.934 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188442875 229247586 /nfs/dbraw/zinc/24/75/86/229247586.db2.gz DAKIKFZCYVTHAO-MRXNPFEDSA-N 2 0 370.538 0.974 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000194834950 229271263 /nfs/dbraw/zinc/27/12/63/229271263.db2.gz GEPDTVGFAITKIY-CALCHBBNSA-N 2 0 369.554 0.763 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000410206495 230067285 /nfs/dbraw/zinc/06/72/85/230067285.db2.gz LGWKAXVAEDPKIH-HNNXBMFYSA-N 2 0 362.540 0.336 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000410472261 230093419 /nfs/dbraw/zinc/09/34/19/230093419.db2.gz RKKRQEYIDLSEKW-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000410472262 230093574 /nfs/dbraw/zinc/09/35/74/230093574.db2.gz RKKRQEYIDLSEKW-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000410954964 230323559 /nfs/dbraw/zinc/32/35/59/230323559.db2.gz QHNWFZFLOFLBTI-IRXDYDNUSA-N 2 0 350.507 0.729 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000933849256 674276642 /nfs/dbraw/zinc/27/66/42/674276642.db2.gz GPCLXWJXSJEUNV-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000525882862 484089252 /nfs/dbraw/zinc/08/92/52/484089252.db2.gz HHOABQBWPTXIOS-UHFFFAOYSA-N 3 0 373.461 0.158 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000533321748 484202327 /nfs/dbraw/zinc/20/23/27/484202327.db2.gz QLFKFWWSBRZDCX-CQSZACIVSA-N 2 0 350.467 0.230 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312940339 488895996 /nfs/dbraw/zinc/89/59/96/488895996.db2.gz PNNORQYBMFQVTG-MOPGFXCFSA-N 2 0 370.497 0.789 20 0 FCADRP O=S(=O)(CCCN1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000364048347 488917461 /nfs/dbraw/zinc/91/74/61/488917461.db2.gz OQLFGCYNVYKSDD-KRWDZBQOSA-N 2 0 359.536 0.846 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051958608 488152985 /nfs/dbraw/zinc/15/29/85/488152985.db2.gz RYDZAUDRBTXFMB-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP Cc1nccn1CCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000329070981 488965642 /nfs/dbraw/zinc/96/56/42/488965642.db2.gz YSGJCHHXAJZFLY-GJZGRUSLSA-N 2 0 371.507 0.163 20 0 FCADRP Cc1nccn1CCN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000329070982 488965699 /nfs/dbraw/zinc/96/56/99/488965699.db2.gz YSGJCHHXAJZFLY-HUUCEWRRSA-N 2 0 371.507 0.163 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000067322645 488348241 /nfs/dbraw/zinc/34/82/41/488348241.db2.gz ZEXSPVFUQQUALF-UHFFFAOYSA-N 2 0 373.501 0.583 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073288336 488384272 /nfs/dbraw/zinc/38/42/72/488384272.db2.gz HSMUCAKCSOEYGK-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000073594088 488384927 /nfs/dbraw/zinc/38/49/27/488384927.db2.gz JWSSWRHHJHEBAC-QGZVFWFLSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586396 488384981 /nfs/dbraw/zinc/38/49/81/488384981.db2.gz QQDBCEDPBHRCCC-KURKYZTESA-N 2 0 369.554 0.668 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000184963892 488398837 /nfs/dbraw/zinc/39/88/37/488398837.db2.gz XYGZDYGLWNPCRM-GOSISDBHSA-N 2 0 362.518 0.794 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185606735 488401501 /nfs/dbraw/zinc/40/15/01/488401501.db2.gz YQXDTKUQWCUCIJ-QGZVFWFLSA-N 2 0 368.570 0.338 20 0 FCADRP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000186304871 488405416 /nfs/dbraw/zinc/40/54/16/488405416.db2.gz DKDBDJLLSKXBTH-INIZCTEOSA-N 2 0 351.495 0.958 20 0 FCADRP CC[N@H+](CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C1CC1 ZINC000192585870 488422921 /nfs/dbraw/zinc/42/29/21/488422921.db2.gz NEGRHHODMSLEQA-UHFFFAOYSA-N 2 0 357.524 0.824 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000569843003 491197510 /nfs/dbraw/zinc/19/75/10/491197510.db2.gz RRCHTMOOOYLMLD-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000080061243 488433506 /nfs/dbraw/zinc/43/35/06/488433506.db2.gz DCVVXEUYMREGOM-OAHLLOKOSA-N 2 0 359.478 0.853 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000195140790 488435661 /nfs/dbraw/zinc/43/56/61/488435661.db2.gz HWRYQAGGDCEWKL-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CSCC[NH2+]3)cn2)CC1 ZINC000236999656 488454155 /nfs/dbraw/zinc/45/41/55/488454155.db2.gz RWOIDDATURMJHK-INIZCTEOSA-N 2 0 363.531 0.935 20 0 FCADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000268900271 488456002 /nfs/dbraw/zinc/45/60/02/488456002.db2.gz LDOCIGLGUWOBPD-AWEZNQCLSA-N 2 0 368.503 0.237 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000238100130 488458681 /nfs/dbraw/zinc/45/86/81/488458681.db2.gz XPZKTKZJWSHDND-LJQANCHMSA-N 2 0 356.470 0.640 20 0 FCADRP CC[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961962 488459484 /nfs/dbraw/zinc/45/94/84/488459484.db2.gz JTFIICOJERMFCJ-MOPGFXCFSA-N 2 0 360.502 0.376 20 0 FCADRP CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000245950278 488468425 /nfs/dbraw/zinc/46/84/25/488468425.db2.gz YLANQCBGLQPBOY-JZXOWHBKSA-N 2 0 368.522 0.402 20 0 FCADRP C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246773269 488475718 /nfs/dbraw/zinc/47/57/18/488475718.db2.gz OHAMIXMWNOTAQZ-WOJBJXKFSA-N 2 0 366.550 0.295 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000554419840 491201327 /nfs/dbraw/zinc/20/13/27/491201327.db2.gz YHTNEVXJXGJDDL-UHFFFAOYSA-N 2 0 370.563 0.874 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000247665960 488489050 /nfs/dbraw/zinc/48/90/50/488489050.db2.gz YSGOVVAGILOHJM-KZNAEPCWSA-N 2 0 368.522 0.726 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000269309462 488489986 /nfs/dbraw/zinc/48/99/86/488489986.db2.gz VYWNZRGKJDLYJS-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP NCc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000269313360 488490543 /nfs/dbraw/zinc/49/05/43/488490543.db2.gz YDHPPACCLLYWPF-UHFFFAOYSA-N 2 0 360.487 0.939 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(Br)ccc1=O ZINC000103212391 488500825 /nfs/dbraw/zinc/50/08/25/488500825.db2.gz PJXBOOQCKYNLDT-UHFFFAOYSA-N 2 0 373.295 0.563 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000103212437 488500981 /nfs/dbraw/zinc/50/09/81/488500981.db2.gz XNPMSSYRZXEUHB-GFCCVEGCSA-N 2 0 352.401 0.349 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000103607483 488503206 /nfs/dbraw/zinc/50/32/06/488503206.db2.gz NSLWPTLDGXLZIU-KRWDZBQOSA-N 2 0 367.538 0.914 20 0 FCADRP CC(C)[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000104801050 488506043 /nfs/dbraw/zinc/50/60/43/488506043.db2.gz ILQNTUYBVLVRBD-MRXNPFEDSA-N 2 0 355.527 0.992 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000105101069 488507043 /nfs/dbraw/zinc/50/70/43/488507043.db2.gz ZLMADNIXEPWHSB-UHFFFAOYSA-N 2 0 360.506 0.974 20 0 FCADRP C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000249420248 488509950 /nfs/dbraw/zinc/50/99/50/488509950.db2.gz HHWXAJVABOWNLQ-JCECYMMASA-N 2 0 364.534 0.785 20 0 FCADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)COC1CCOCC1 ZINC000563011644 491207815 /nfs/dbraw/zinc/20/78/15/491207815.db2.gz NFINADRONMZJMY-RBUKOAKNSA-N 2 0 364.486 0.899 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261646732 488528834 /nfs/dbraw/zinc/52/88/34/488528834.db2.gz ADDCTYMPVRBUTI-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000111493347 488529410 /nfs/dbraw/zinc/52/94/10/488529410.db2.gz FRNZZYAQVXLOCC-IKGGRYGDSA-N 2 0 367.538 0.993 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261682712 488530324 /nfs/dbraw/zinc/53/03/24/488530324.db2.gz HAPLJEINEIZACU-UAGQMJEPSA-N 2 0 360.458 0.829 20 0 FCADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747564 488534032 /nfs/dbraw/zinc/53/40/32/488534032.db2.gz KZWYSSGNSZGLEK-QGZVFWFLSA-N 2 0 368.503 0.054 20 0 FCADRP O=S(=O)([N-]CC(F)(F)F)NC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261835191 488537552 /nfs/dbraw/zinc/53/75/52/488537552.db2.gz RNBUFIGVARVWEG-LLVKDONJSA-N 2 0 358.430 0.437 20 0 FCADRP O=C(NCc1nc(-c2cccc(CN3CCOCC3)c2)no1)[C@H]1CCC[NH2+]1 ZINC000261864568 488539023 /nfs/dbraw/zinc/53/90/23/488539023.db2.gz USHIWRCHSAJDOA-MRXNPFEDSA-N 2 0 371.441 0.937 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892228 488540646 /nfs/dbraw/zinc/54/06/46/488540646.db2.gz CGPIAXZPKWDKGB-ZWKOTPCHSA-N 2 0 364.534 0.630 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000262058184 488548252 /nfs/dbraw/zinc/54/82/52/488548252.db2.gz RMNQTHXFEZZNEB-ZWNOBZJWSA-N 2 0 360.384 0.053 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790742 488558643 /nfs/dbraw/zinc/55/86/43/488558643.db2.gz PFGXETMDNCNXFM-SJORKVTESA-N 2 0 367.538 0.851 20 0 FCADRP Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262249394 488559767 /nfs/dbraw/zinc/55/97/67/488559767.db2.gz WSUSYBGYRARPRJ-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000120519496 488561831 /nfs/dbraw/zinc/56/18/31/488561831.db2.gz ZAYITMOPVYLZNO-IEBWSBKVSA-N 2 0 352.523 0.630 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308185 488563108 /nfs/dbraw/zinc/56/31/08/488563108.db2.gz YMXHBDJTUREVLT-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000562988261 491206172 /nfs/dbraw/zinc/20/61/72/491206172.db2.gz VCXNHZGPAAXGFS-WUJZJPHMSA-N 2 0 369.506 0.648 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3csc(CC[NH3+])n3)cn2)CC1 ZINC000262373814 488566819 /nfs/dbraw/zinc/56/68/19/488566819.db2.gz MPZMLXFFVNHBQY-UHFFFAOYSA-N 2 0 360.487 0.721 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000262381211 488567675 /nfs/dbraw/zinc/56/76/75/488567675.db2.gz KLQRHUAEUAOTBT-UHFFFAOYSA-N 2 0 362.474 0.249 20 0 FCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262477298 488572360 /nfs/dbraw/zinc/57/23/60/488572360.db2.gz HKRJNIYTHWBUOS-RTBURBONSA-N 2 0 360.502 0.423 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1=O ZINC000262508929 488574070 /nfs/dbraw/zinc/57/40/70/488574070.db2.gz MIHMTKQMTQCBLF-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000122062172 488574871 /nfs/dbraw/zinc/57/48/71/488574871.db2.gz FGTXGLRAQXSGJF-CABCVRRESA-N 2 0 362.478 0.326 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000262637596 488583691 /nfs/dbraw/zinc/58/36/91/488583691.db2.gz QFZUWASOWOVTJW-GVDBMIGSSA-N 2 0 350.507 0.825 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[NH2+]CC3CC3)c2)C1 ZINC000262662537 488584982 /nfs/dbraw/zinc/58/49/82/488584982.db2.gz YYRUQXJKDJRGJN-SFHVURJKSA-N 2 0 358.486 1.000 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nocc1C ZINC000124623398 488594576 /nfs/dbraw/zinc/59/45/76/488594576.db2.gz OFFCWTSUKGQAMP-CQSZACIVSA-N 2 0 351.451 0.796 20 0 FCADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000262868345 488597480 /nfs/dbraw/zinc/59/74/80/488597480.db2.gz XHZWRAFIIITPNP-KRWDZBQOSA-N 2 0 361.490 0.992 20 0 FCADRP COC[C@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC ZINC000272748817 488602779 /nfs/dbraw/zinc/60/27/79/488602779.db2.gz NGCAILRKVWOVBJ-KRWDZBQOSA-N 2 0 365.478 0.554 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000263226044 488606723 /nfs/dbraw/zinc/60/67/23/488606723.db2.gz GNGIDLXUPVBFQZ-NUJGCVRESA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000263231016 488607148 /nfs/dbraw/zinc/60/71/48/488607148.db2.gz ICZKDZWTJCFPNP-KRWDZBQOSA-N 2 0 368.522 0.485 20 0 FCADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(C)CC1 ZINC000263667973 488617367 /nfs/dbraw/zinc/61/73/67/488617367.db2.gz IGKLEEVMBIJYBD-GOSISDBHSA-N 2 0 374.533 0.346 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000273048789 488628188 /nfs/dbraw/zinc/62/81/88/488628188.db2.gz FCACQOZZPCGJPR-FQEVSTJZSA-N 2 0 374.529 0.897 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@@H+]1C1CC1 ZINC000129079664 488629011 /nfs/dbraw/zinc/62/90/11/488629011.db2.gz SZEFVBBCHUDLOY-DLBZAZTESA-N 2 0 367.538 0.301 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000130240157 488636366 /nfs/dbraw/zinc/63/63/66/488636366.db2.gz OGPAMWHTGKBLOH-GOSISDBHSA-N 2 0 370.538 0.881 20 0 FCADRP COc1cc(F)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130619784 488639054 /nfs/dbraw/zinc/63/90/54/488639054.db2.gz YDDQXSDZOBOBBW-UHFFFAOYSA-N 2 0 354.426 0.725 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435521 488673520 /nfs/dbraw/zinc/67/35/20/488673520.db2.gz CNRSFIJKFXUNOL-MSOLQXFVSA-N 2 0 373.501 0.900 20 0 FCADRP COC(=O)NCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264488890 488679006 /nfs/dbraw/zinc/67/90/06/488679006.db2.gz IYQPBBCDIROZSF-UHFFFAOYSA-N 2 0 363.462 0.846 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccsc1 ZINC000264538424 488683210 /nfs/dbraw/zinc/68/32/10/488683210.db2.gz AHDPHQKKNSAYRW-CABCVRRESA-N 2 0 367.519 0.990 20 0 FCADRP O=C(N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000563112371 491217123 /nfs/dbraw/zinc/21/71/23/491217123.db2.gz GJDPGAIDFMYMFM-FVQSIRDASA-N 2 0 361.490 0.123 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)Cc2ccccc2C1 ZINC000563082955 491214335 /nfs/dbraw/zinc/21/43/35/491214335.db2.gz XDSHUVIUAGRWFU-QGZVFWFLSA-N 2 0 368.485 0.859 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000274625660 488723930 /nfs/dbraw/zinc/72/39/30/488723930.db2.gz GSIDPDGDBWKJHT-UHFFFAOYSA-N 2 0 352.479 0.740 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000154030469 488737291 /nfs/dbraw/zinc/73/72/91/488737291.db2.gz KXCBSIXXZUYFEI-GOSISDBHSA-N 2 0 369.554 0.406 20 0 FCADRP CN(C)C(=O)CCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266871852 488739268 /nfs/dbraw/zinc/73/92/68/488739268.db2.gz XYQNEJJAUHZWJZ-UHFFFAOYSA-N 2 0 361.490 0.968 20 0 FCADRP Cn1nccc1-c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000570146719 491219696 /nfs/dbraw/zinc/21/96/96/491219696.db2.gz NXAAYUHHHQVLPC-UHFFFAOYSA-N 2 0 360.466 0.834 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000267014592 488752938 /nfs/dbraw/zinc/75/29/38/488752938.db2.gz BUTBULGTESGQEK-UHFFFAOYSA-N 2 0 360.502 0.772 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155614959 488757510 /nfs/dbraw/zinc/75/75/10/488757510.db2.gz OCOSNZYGVHHJTH-WMZOPIPTSA-N 2 0 352.523 0.630 20 0 FCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125502 488762563 /nfs/dbraw/zinc/76/25/63/488762563.db2.gz OLSGNXIGYHTLFN-IAGOWNOFSA-N 2 0 360.506 0.835 20 0 FCADRP C[C@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000157288634 488770116 /nfs/dbraw/zinc/77/01/16/488770116.db2.gz ZTQMKAVDAIEQDY-IRXDYDNUSA-N 2 0 362.474 0.592 20 0 FCADRP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000157288792 488770476 /nfs/dbraw/zinc/77/04/76/488770476.db2.gz ZTQMKAVDAIEQDY-SJORKVTESA-N 2 0 362.474 0.592 20 0 FCADRP Cn1cccc1C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000161724133 488798324 /nfs/dbraw/zinc/79/83/24/488798324.db2.gz DQOMRVYKJMEDSK-UHFFFAOYSA-N 2 0 363.487 0.662 20 0 FCADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154154 491222814 /nfs/dbraw/zinc/22/28/14/491222814.db2.gz PGGQQQYLWJZSFB-LLVKDONJSA-N 2 0 366.384 0.452 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000172324057 488833049 /nfs/dbraw/zinc/83/30/49/488833049.db2.gz MJYUAUXQKNFKSH-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172789142 488837738 /nfs/dbraw/zinc/83/77/38/488837738.db2.gz FDKLNEMIHJCQKR-LJQANCHMSA-N 2 0 373.545 0.951 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)ccn2)C1 ZINC000174179343 488847962 /nfs/dbraw/zinc/84/79/62/488847962.db2.gz KWFOFRICCSYSPQ-CABCVRRESA-N 2 0 359.474 0.445 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000174785353 488851289 /nfs/dbraw/zinc/85/12/89/488851289.db2.gz RMSYBLRTPDHULK-DLBZAZTESA-N 2 0 355.527 0.375 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000176339491 488858271 /nfs/dbraw/zinc/85/82/71/488858271.db2.gz ZDRMQXARYODYFN-KRWDZBQOSA-N 2 0 369.554 0.811 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178885585 488860597 /nfs/dbraw/zinc/86/05/97/488860597.db2.gz XUOKANIXMBWKKI-JKSUJKDBSA-N 2 0 358.552 0.320 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000179285181 488860978 /nfs/dbraw/zinc/86/09/78/488860978.db2.gz YUPAMYZRHMZSMC-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000179676863 488861595 /nfs/dbraw/zinc/86/15/95/488861595.db2.gz FDNZXMLDOFWZOX-UHFFFAOYSA-N 2 0 366.506 0.654 20 0 FCADRP CS(=O)(=O)C1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[NH2+]CC1 ZINC000563168950 491225082 /nfs/dbraw/zinc/22/50/82/491225082.db2.gz CMFDPAIIJYDTOK-UHFFFAOYSA-N 2 0 369.531 0.423 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000364734419 488994179 /nfs/dbraw/zinc/99/41/79/488994179.db2.gz KFSIJRWMRMHGDO-YIOZNXECSA-N 2 0 351.491 0.700 20 0 FCADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329334820 488994395 /nfs/dbraw/zinc/99/43/95/488994395.db2.gz KXMWMNUGYAGWSO-CRAIPNDOSA-N 2 0 353.507 0.933 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000364909408 489016534 /nfs/dbraw/zinc/01/65/34/489016534.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H]1CC[C@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)O1 ZINC000330074205 489066608 /nfs/dbraw/zinc/06/66/08/489066608.db2.gz FOBQWMPCKWPBII-DOTOQJQBSA-N 2 0 366.506 0.251 20 0 FCADRP COC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312011 489066688 /nfs/dbraw/zinc/06/66/88/489066688.db2.gz ZEMLLRYZVDLHRT-GDBMZVCRSA-N 2 0 373.519 0.575 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000289586946 489079296 /nfs/dbraw/zinc/07/92/96/489079296.db2.gz VMGINRHWZMIUEX-MOPGFXCFSA-N 2 0 372.513 0.960 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000289586952 489079582 /nfs/dbraw/zinc/07/95/82/489079582.db2.gz VMGINRHWZMIUEX-RBUKOAKNSA-N 2 0 372.513 0.960 20 0 FCADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000289831262 489096204 /nfs/dbraw/zinc/09/62/04/489096204.db2.gz BFWMJFVBQQIDQA-INIZCTEOSA-N 2 0 354.882 0.942 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000365661136 489097548 /nfs/dbraw/zinc/09/75/48/489097548.db2.gz IZQFSAHNRHOAIN-SFHVURJKSA-N 2 0 354.539 0.972 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365690107 489100871 /nfs/dbraw/zinc/10/08/71/489100871.db2.gz DBUICCSMHQIPCC-AHIWAGSCSA-N 2 0 350.467 0.305 20 0 FCADRP COc1cncc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000281940863 489118290 /nfs/dbraw/zinc/11/82/90/489118290.db2.gz SFRDEGMIGWEGRC-UHFFFAOYSA-N 2 0 358.508 0.984 20 0 FCADRP C[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1CCN(C)CC1 ZINC000290326502 489131404 /nfs/dbraw/zinc/13/14/04/489131404.db2.gz AFWUKTXWOQSRRS-MRXNPFEDSA-N 2 0 363.506 0.664 20 0 FCADRP CN(C)CCN(C(=O)[C@H]1CCCc2nccn21)[C@H]1CCS(=O)(=O)C1 ZINC000365994947 489133368 /nfs/dbraw/zinc/13/33/68/489133368.db2.gz GKUFYBJJCSSQOR-UONOGXRCSA-N 2 0 354.476 0.338 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000290640312 489155101 /nfs/dbraw/zinc/15/51/01/489155101.db2.gz RDJOKJYRFLTNIE-NZSAHSFTSA-N 2 0 374.485 0.761 20 0 FCADRP C[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367373448 489206743 /nfs/dbraw/zinc/20/67/43/489206743.db2.gz YNRVNSDJSINMAF-GJZGRUSLSA-N 2 0 356.478 0.707 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331431147 489209882 /nfs/dbraw/zinc/20/98/82/489209882.db2.gz AHNSJSYVIRKKOL-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332748596 489224631 /nfs/dbraw/zinc/22/46/31/489224631.db2.gz HODJGJZROPGGCN-IAGOWNOFSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000369479639 489243500 /nfs/dbraw/zinc/24/35/00/489243500.db2.gz BGHXRJILGQFEEW-NVXWUHKLSA-N 2 0 354.495 0.507 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C[C@H]1n1ccnc1 ZINC000297861956 489253367 /nfs/dbraw/zinc/25/33/67/489253367.db2.gz VWHFBANXVLLBFR-NVXWUHKLSA-N 2 0 359.474 0.989 20 0 FCADRP CN1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]21 ZINC000333005145 489256207 /nfs/dbraw/zinc/25/62/07/489256207.db2.gz NERFSLYHYJHXFG-QBPKDAKJSA-N 2 0 352.479 0.089 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208188 489258714 /nfs/dbraw/zinc/25/87/14/489258714.db2.gz BBMLYUCPIHTCMM-ILXRZTDVSA-N 2 0 361.494 0.757 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820629 489279159 /nfs/dbraw/zinc/27/91/59/489279159.db2.gz CHSLUMQYJBPXJB-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000283613781 489281176 /nfs/dbraw/zinc/28/11/76/489281176.db2.gz QKRVVQJFNGHZHX-UHFFFAOYSA-N 2 0 358.486 0.978 20 0 FCADRP CO[C@@H]1C[C@H]2C(=O)N(CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C(=O)N2C1 ZINC000349303747 489286127 /nfs/dbraw/zinc/28/61/27/489286127.db2.gz AOCGLTRVQBDQBQ-SJORKVTESA-N 2 0 373.457 0.645 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075992 489314130 /nfs/dbraw/zinc/31/41/30/489314130.db2.gz CWOKLWAJEMOTLA-SJLPKXTDSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370128116 489318466 /nfs/dbraw/zinc/31/84/66/489318466.db2.gz DINANQPESAKQIV-GVDBMIGSSA-N 2 0 352.479 0.213 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000563452249 491248965 /nfs/dbraw/zinc/24/89/65/491248965.db2.gz SQOJLVJZTZMQDC-UHFFFAOYSA-N 2 0 354.495 0.193 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000359870657 489357481 /nfs/dbraw/zinc/35/74/81/489357481.db2.gz MJDIMBKMIXMYDM-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CNC(=O)C[NH3+] ZINC000286226810 489370844 /nfs/dbraw/zinc/37/08/44/489370844.db2.gz UDTGJHABRWROEF-UHFFFAOYSA-N 2 0 360.380 0.671 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000286305348 489377800 /nfs/dbraw/zinc/37/78/00/489377800.db2.gz XQKYZOKDOHSXLZ-KRWDZBQOSA-N 2 0 362.474 0.630 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000570583405 491251834 /nfs/dbraw/zinc/25/18/34/491251834.db2.gz GSSDUOIKYYNIPC-AEFFLSMTSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[NH+](C)C ZINC000299033542 489397773 /nfs/dbraw/zinc/39/77/73/489397773.db2.gz WFCTXZCKCNPILM-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)o1 ZINC000286569247 489405399 /nfs/dbraw/zinc/40/53/99/489405399.db2.gz TVYIYCALJIUOMY-AWEZNQCLSA-N 2 0 352.479 0.935 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000363180392 489434237 /nfs/dbraw/zinc/43/42/37/489434237.db2.gz CPMKHRVEPKVRGI-IRXDYDNUSA-N 2 0 354.495 0.338 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363184788 489435194 /nfs/dbraw/zinc/43/51/94/489435194.db2.gz HMPORJDCYUGABY-GJZGRUSLSA-N 2 0 355.479 0.487 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371027048 489440382 /nfs/dbraw/zinc/44/03/82/489440382.db2.gz FPIQXPKBWNKBJN-KRWDZBQOSA-N 2 0 353.511 0.129 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371027658 489440762 /nfs/dbraw/zinc/44/07/62/489440762.db2.gz JRALXNSLZCGDEU-GOSISDBHSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000563554193 491254878 /nfs/dbraw/zinc/25/48/78/491254878.db2.gz UQUXCZQUJPJYSK-HNNXBMFYSA-N 2 0 369.554 0.221 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371225175 489469029 /nfs/dbraw/zinc/46/90/29/489469029.db2.gz GVOTXSZTIRRPPK-ZWKOTPCHSA-N 2 0 369.554 0.622 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271461 489472378 /nfs/dbraw/zinc/47/23/78/489472378.db2.gz RATUODGLXANQPZ-APWZRJJASA-N 2 0 362.449 0.702 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000371527940 489486954 /nfs/dbraw/zinc/48/69/54/489486954.db2.gz YQENHUCITYOZGQ-KURKYZTESA-N 2 0 358.486 0.611 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000371527944 489486966 /nfs/dbraw/zinc/48/69/66/489486966.db2.gz YQENHUCITYOZGQ-SQNIBIBYSA-N 2 0 358.486 0.611 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423093069 489492766 /nfs/dbraw/zinc/49/27/66/489492766.db2.gz FQKYPWPTDMLKTQ-HUUCEWRRSA-N 2 0 364.465 0.912 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423154353 489497579 /nfs/dbraw/zinc/49/75/79/489497579.db2.gz OTPNSXLBTCAGLA-SQNIBIBYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000423161794 489497927 /nfs/dbraw/zinc/49/79/27/489497927.db2.gz JRJIHSKUODYLNP-PBHICJAKSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCCc2ccccc2)CC[NH+](C)C)C1 ZINC000423200509 489501872 /nfs/dbraw/zinc/50/18/72/489501872.db2.gz MGUZJTWOXVTQRI-GOSISDBHSA-N 2 0 360.502 0.830 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423199968 489501957 /nfs/dbraw/zinc/50/19/57/489501957.db2.gz DAFHRJOLMHZECS-HNNXBMFYSA-N 2 0 350.438 0.523 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000423199419 489502353 /nfs/dbraw/zinc/50/23/53/489502353.db2.gz BKEOJJRZHBEFGJ-WMLDXEAASA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000423210827 489502520 /nfs/dbraw/zinc/50/25/20/489502520.db2.gz XRKHAVDDGDMWHA-UHFFFAOYSA-N 2 0 370.444 0.923 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000423294045 489511772 /nfs/dbraw/zinc/51/17/72/489511772.db2.gz BBBXYJREIHTUTF-BQFCYCMXSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000423294046 489512236 /nfs/dbraw/zinc/51/22/36/489512236.db2.gz BBBXYJREIHTUTF-RYRKJORJSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000415383403 489516949 /nfs/dbraw/zinc/51/69/49/489516949.db2.gz XUEKCYACTWQHNA-AWEZNQCLSA-N 2 0 366.437 0.915 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000415392945 489517364 /nfs/dbraw/zinc/51/73/64/489517364.db2.gz KJUFQIUAJBTCCL-HNNXBMFYSA-N 2 0 362.474 0.942 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c2)CC1 ZINC000415406442 489517451 /nfs/dbraw/zinc/51/74/51/489517451.db2.gz DMOVORFIGCFMLH-HNNXBMFYSA-N 2 0 361.490 0.739 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000415392946 489517562 /nfs/dbraw/zinc/51/75/62/489517562.db2.gz KJUFQIUAJBTCCL-OAHLLOKOSA-N 2 0 362.474 0.942 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000415421796 489519236 /nfs/dbraw/zinc/51/92/36/489519236.db2.gz VTUSDSHRFXHQCO-OAHLLOKOSA-N 2 0 361.490 0.568 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000415465635 489522967 /nfs/dbraw/zinc/52/29/67/489522967.db2.gz SKDXSHRJYZLZIH-IUODEOHRSA-N 2 0 366.437 0.900 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415550895 489529161 /nfs/dbraw/zinc/52/91/61/489529161.db2.gz WWIOBVLAHIHKIS-UHFFFAOYSA-N 2 0 364.515 0.894 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000415566403 489531150 /nfs/dbraw/zinc/53/11/50/489531150.db2.gz PKJKHBKQXKPOPT-KGLIPLIRSA-N 2 0 362.478 0.687 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)ccc1OCC[NH+](C)C ZINC000415605086 489535708 /nfs/dbraw/zinc/53/57/08/489535708.db2.gz NSNLJZGKFGCMJS-OAHLLOKOSA-N 2 0 364.446 0.060 20 0 FCADRP COC[C@@]1(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCC[NH2+]1 ZINC000415713167 489544779 /nfs/dbraw/zinc/54/47/79/489544779.db2.gz WLTAKLRXKQMYQK-IBGZPJMESA-N 2 0 362.474 0.880 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000372109115 489545716 /nfs/dbraw/zinc/54/57/16/489545716.db2.gz WSTSRUPKQHGBRB-QGZVFWFLSA-N 2 0 353.507 0.985 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)c(OCC[NH+](C)C)c1 ZINC000415779960 489552743 /nfs/dbraw/zinc/55/27/43/489552743.db2.gz AIBUODMSSQYXQO-CYBMUJFWSA-N 2 0 372.416 0.973 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CC1 ZINC000415824661 489555820 /nfs/dbraw/zinc/55/58/20/489555820.db2.gz WFVDPQJCULBDCO-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415867494 489561473 /nfs/dbraw/zinc/56/14/73/489561473.db2.gz PLETWKZTHUPCBB-KRWDZBQOSA-N 2 0 360.458 0.368 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000415876104 489562786 /nfs/dbraw/zinc/56/27/86/489562786.db2.gz ZTLKZUVPBWKUNU-JKSUJKDBSA-N 2 0 374.485 0.942 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004572 489567408 /nfs/dbraw/zinc/56/74/08/489567408.db2.gz IQPCKTFNZYZUPG-NEPJUHHUSA-N 2 0 367.416 0.508 20 0 FCADRP [NH3+]CC[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000416054955 489568300 /nfs/dbraw/zinc/56/83/00/489568300.db2.gz XERPFGIUBGYSPU-HUUCEWRRSA-N 2 0 374.407 0.985 20 0 FCADRP C[C@@]1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC(=O)N1 ZINC000454418994 489570019 /nfs/dbraw/zinc/57/00/19/489570019.db2.gz HXRWIJPWIZWBRE-IBGZPJMESA-N 2 0 374.489 0.562 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426572305 489575421 /nfs/dbraw/zinc/57/54/21/489575421.db2.gz BCVFIFXNOZZMFO-DLBZAZTESA-N 2 0 356.511 0.584 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702733 491264452 /nfs/dbraw/zinc/26/44/52/491264452.db2.gz LMJMYCGTFDLKGA-JKSUJKDBSA-N 2 0 350.507 0.990 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cnn2c1OCCC2 ZINC000416356051 489584459 /nfs/dbraw/zinc/58/44/59/489584459.db2.gz AMRPWNGDZYWBLY-UHFFFAOYSA-N 2 0 373.523 0.560 20 0 FCADRP C[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000563712590 491264818 /nfs/dbraw/zinc/26/48/18/491264818.db2.gz HMJSBBXTTMXUFW-CQSZACIVSA-N 2 0 368.503 0.409 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427261955 489599756 /nfs/dbraw/zinc/59/97/56/489599756.db2.gz CIDJWFWTIXEZPY-AWEZNQCLSA-N 2 0 362.478 0.641 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)C1 ZINC000427291648 489601517 /nfs/dbraw/zinc/60/15/17/489601517.db2.gz IIRIAIZJNCEXNH-WMZOPIPTSA-N 2 0 358.486 1.000 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCC[NH2+]CC2)cn1 ZINC000427324339 489602397 /nfs/dbraw/zinc/60/23/97/489602397.db2.gz LNWWPRCYUJQHEN-AWEZNQCLSA-N 2 0 350.467 0.279 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000416812122 489629979 /nfs/dbraw/zinc/62/99/79/489629979.db2.gz KVCWWHRPOODHFK-WBVHZDCISA-N 2 0 353.511 0.664 20 0 FCADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1OC ZINC000416823033 489630635 /nfs/dbraw/zinc/63/06/35/489630635.db2.gz XUJSIPUWDMVJAO-GJZGRUSLSA-N 2 0 366.462 0.594 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000416877971 489632687 /nfs/dbraw/zinc/63/26/87/489632687.db2.gz VJSLBYFIEMFHLW-INIZCTEOSA-N 2 0 353.511 0.892 20 0 FCADRP COC[C@@]1(CNC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910435 489633657 /nfs/dbraw/zinc/63/36/57/489633657.db2.gz AWSVOVSVDCYCMC-DAYGRLMNSA-N 2 0 356.511 0.942 20 0 FCADRP CC1CC[NH+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417021553 489638545 /nfs/dbraw/zinc/63/85/45/489638545.db2.gz UGEYVLYHKAJPAC-AWEZNQCLSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417012681 489638797 /nfs/dbraw/zinc/63/87/97/489638797.db2.gz ATKHEGADKIBVES-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236363 489645763 /nfs/dbraw/zinc/64/57/63/489645763.db2.gz FIJQYPATORBJPZ-KGLIPLIRSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417312622 489648022 /nfs/dbraw/zinc/64/80/22/489648022.db2.gz NXYBSWLUVUBRRW-HZPDHXFCSA-N 2 0 353.511 0.603 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515861 489648507 /nfs/dbraw/zinc/64/85/07/489648507.db2.gz NLLUCSDJRJNJFI-IRXDYDNUSA-N 2 0 356.511 0.489 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000417361658 489649750 /nfs/dbraw/zinc/64/97/50/489649750.db2.gz CXKSQUTXTRCEAV-QGZVFWFLSA-N 3 0 360.506 0.893 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417376504 489650287 /nfs/dbraw/zinc/65/02/87/489650287.db2.gz CDHDLZRVCWJERX-CALCHBBNSA-N 3 0 358.490 0.455 20 0 FCADRP [NH3+]CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000417391311 489651091 /nfs/dbraw/zinc/65/10/91/489651091.db2.gz RKOXEJZSBIUWMY-OAHLLOKOSA-N 3 0 370.448 0.875 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418874 489651719 /nfs/dbraw/zinc/65/17/19/489651719.db2.gz BZVVFVIMKPMCAR-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417430648 489652555 /nfs/dbraw/zinc/65/25/55/489652555.db2.gz PVWJQFDIGCZKGY-ARFHVFGLSA-N 2 0 353.511 0.840 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417428355 489652834 /nfs/dbraw/zinc/65/28/34/489652834.db2.gz KUTIEIUCGZWVLI-JYJNAYRXSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000417435422 489653362 /nfs/dbraw/zinc/65/33/62/489653362.db2.gz YODFDOJKDHMHHU-OAGGEKHMSA-N 2 0 353.511 0.555 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000417434026 489653394 /nfs/dbraw/zinc/65/33/94/489653394.db2.gz WJUSOGDLCWSICC-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417479844 489655507 /nfs/dbraw/zinc/65/55/07/489655507.db2.gz LCGJQNQDGIIZKA-QGZVFWFLSA-N 2 0 363.506 0.720 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417461136 489655730 /nfs/dbraw/zinc/65/57/30/489655730.db2.gz KXWLTWPVGNWFQU-INIZCTEOSA-N 2 0 353.511 0.570 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000428591784 489655947 /nfs/dbraw/zinc/65/59/47/489655947.db2.gz AFLUYGGABAZIAH-KRWDZBQOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481885 489656303 /nfs/dbraw/zinc/65/63/03/489656303.db2.gz IEAHMXUNRMZTCE-WBVHZDCISA-N 2 0 365.522 0.761 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511055 489656766 /nfs/dbraw/zinc/65/67/66/489656766.db2.gz YCZSIBRFKWKZQV-MOPGFXCFSA-N 2 0 359.518 0.754 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000417550839 489658257 /nfs/dbraw/zinc/65/82/57/489658257.db2.gz MMTMRQTVZVDOJJ-DGCLKSJQSA-N 2 0 351.417 0.604 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)[N@H+](C)C1CC1 ZINC000417550474 489658421 /nfs/dbraw/zinc/65/84/21/489658421.db2.gz LKJKGYHBTQTEFO-VYDXJSESSA-N 2 0 365.522 0.759 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417572977 489659061 /nfs/dbraw/zinc/65/90/61/489659061.db2.gz ZGIAIILPSDMSQR-INIZCTEOSA-N 2 0 353.511 0.746 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417617110 489659609 /nfs/dbraw/zinc/65/96/09/489659609.db2.gz ZQVBUDUGWBEEHL-CYBMUJFWSA-N 2 0 353.433 0.854 20 0 FCADRP [NH3+]C1(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCCCCC1 ZINC000417647894 489660310 /nfs/dbraw/zinc/66/03/10/489660310.db2.gz MMRVOHPPOUYTAL-UHFFFAOYSA-N 2 0 369.554 0.727 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417694773 489661852 /nfs/dbraw/zinc/66/18/52/489661852.db2.gz DVUVFEVTGJXBKV-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000417781577 489665430 /nfs/dbraw/zinc/66/54/30/489665430.db2.gz KBSKBOKRKNJDIJ-DOMZBBRYSA-N 2 0 354.476 0.770 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417849182 489668490 /nfs/dbraw/zinc/66/84/90/489668490.db2.gz LHHZBFVIPYSQMF-BFHYXJOUSA-N 2 0 365.444 0.995 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1=O ZINC000428956947 489668546 /nfs/dbraw/zinc/66/85/46/489668546.db2.gz ZICALADQDJVLME-MWDXBVQZSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000373120906 489670618 /nfs/dbraw/zinc/67/06/18/489670618.db2.gz HYPLRQFDMBSERY-FGTMMUONSA-N 2 0 351.539 0.994 20 0 FCADRP COC[C@]1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC[NH2+]1 ZINC000417907048 489670829 /nfs/dbraw/zinc/67/08/29/489670829.db2.gz GMUWZAWOBJPCTB-JENIJYKNSA-N 2 0 368.522 0.822 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910192 489670863 /nfs/dbraw/zinc/67/08/63/489670863.db2.gz JKIKQHZIOIQPKV-SJORKVTESA-N 2 0 367.538 0.851 20 0 FCADRP COC[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC[NH2+]1 ZINC000417907051 489670897 /nfs/dbraw/zinc/67/08/97/489670897.db2.gz GMUWZAWOBJPCTB-ZIFCJYIRSA-N 2 0 368.522 0.822 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373128095 489671048 /nfs/dbraw/zinc/67/10/48/489671048.db2.gz YIHDHQAEJMPLNA-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417913313 489671274 /nfs/dbraw/zinc/67/12/74/489671274.db2.gz PZGRXHNLNFMBSV-ROUUACIJSA-N 2 0 367.538 0.349 20 0 FCADRP CN1CCO[C@H]([C@@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956970 489673137 /nfs/dbraw/zinc/67/31/37/489673137.db2.gz TZWSUEBNYPQJBS-HOTGVXAUSA-N 2 0 370.881 0.674 20 0 FCADRP C[C@@H]1[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000417993666 489674809 /nfs/dbraw/zinc/67/48/09/489674809.db2.gz AUGGKTLCNGUJIM-JHJVBQTASA-N 2 0 351.417 0.604 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@H]21 ZINC000555756387 491270892 /nfs/dbraw/zinc/27/08/92/491270892.db2.gz FUTBXOIIYWJWLH-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426985 489682902 /nfs/dbraw/zinc/68/29/02/489682902.db2.gz NQXHOUWODYWLCF-CVEARBPZSA-N 2 0 353.511 0.698 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212069 489684973 /nfs/dbraw/zinc/68/49/73/489684973.db2.gz ZJRLCNDDAVFJMR-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000429424951 489686392 /nfs/dbraw/zinc/68/63/92/489686392.db2.gz DQFXQJNYEMYLIA-HNNXBMFYSA-N 2 0 353.511 0.665 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000418300325 489689992 /nfs/dbraw/zinc/68/99/92/489689992.db2.gz VFJDDCPUEPDNEV-HZPDHXFCSA-N 2 0 365.522 0.938 20 0 FCADRP C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418313588 489691244 /nfs/dbraw/zinc/69/12/44/489691244.db2.gz QQAWTPCTZYPOOD-HOTGVXAUSA-N 2 0 353.511 0.666 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418482708 489700948 /nfs/dbraw/zinc/70/09/48/489700948.db2.gz BISVCOXPKBTFNJ-ROUUACIJSA-N 2 0 364.490 0.405 20 0 FCADRP COCC[NH2+]CCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418510786 489703074 /nfs/dbraw/zinc/70/30/74/489703074.db2.gz QCELFCQFAWFPIC-LJQANCHMSA-N 2 0 364.490 0.501 20 0 FCADRP COCC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418510785 489703252 /nfs/dbraw/zinc/70/32/52/489703252.db2.gz QCELFCQFAWFPIC-IBGZPJMESA-N 2 0 364.490 0.501 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCCOCC1 ZINC000458840025 489705191 /nfs/dbraw/zinc/70/51/91/489705191.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 3 0 369.554 0.766 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418558993 489706754 /nfs/dbraw/zinc/70/67/54/489706754.db2.gz CGUAQMJLROPLBY-XEZPLFJOSA-N 2 0 354.401 0.698 20 0 FCADRP C[C@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]C1 ZINC000418559712 489706906 /nfs/dbraw/zinc/70/69/06/489706906.db2.gz YCILVWOGPMBLIC-JSGCOSHPSA-N 2 0 351.417 0.511 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418570861 489707968 /nfs/dbraw/zinc/70/79/68/489707968.db2.gz RBOPWSXULUOPAN-QBIMZIAESA-N 2 0 368.428 0.776 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418569969 489708074 /nfs/dbraw/zinc/70/80/74/489708074.db2.gz PXATYYLPPUGUSI-CKEIUWERSA-N 2 0 367.444 0.613 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609333 489709580 /nfs/dbraw/zinc/70/95/80/489709580.db2.gz FHGSIMYPZJSFKB-MCIONIFRSA-N 2 0 365.444 0.804 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418609513 489709786 /nfs/dbraw/zinc/70/97/86/489709786.db2.gz FTTNQIBKYHJCKZ-CQSZACIVSA-N 2 0 365.444 0.854 20 0 FCADRP CCCN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000418615048 489710913 /nfs/dbraw/zinc/71/09/13/489710913.db2.gz LISFXNOBJCEYHD-OLZOCXBDSA-N 2 0 351.417 0.606 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627341 489712530 /nfs/dbraw/zinc/71/25/30/489712530.db2.gz AVZIZKZUFHASBD-MJGOQNOKSA-N 3 0 369.554 0.813 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418635015 489713195 /nfs/dbraw/zinc/71/31/95/489713195.db2.gz JWVXVZNZPVJKKE-DOTOQJQBSA-N 2 0 359.474 0.370 20 0 FCADRP COCC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH2+]CC1 ZINC000418641270 489714808 /nfs/dbraw/zinc/71/48/08/489714808.db2.gz QBSZNSUSMDZWRU-HNNXBMFYSA-N 2 0 356.511 0.489 20 0 FCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418650924 489715425 /nfs/dbraw/zinc/71/54/25/489715425.db2.gz LDBMIXVWAIJCEY-DOTOQJQBSA-N 2 0 361.490 0.745 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)COC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570923861 491273885 /nfs/dbraw/zinc/27/38/85/491273885.db2.gz VYNDISGKRFQBNE-IBGZPJMESA-N 2 0 360.502 0.860 20 0 FCADRP CC(C)C[C@H](NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000418725767 489720581 /nfs/dbraw/zinc/72/05/81/489720581.db2.gz PAPSWPAOWBRCRW-XHSDSOJGSA-N 2 0 355.527 0.896 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418724677 489720585 /nfs/dbraw/zinc/72/05/85/489720585.db2.gz OLVXTOOWINVUCP-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP O=C(CNC(=O)NCCC[C@H]1CCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000418752267 489721887 /nfs/dbraw/zinc/72/18/87/489721887.db2.gz SUJJSXKDKBEKEC-MRXNPFEDSA-N 2 0 353.511 0.810 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875257 491274196 /nfs/dbraw/zinc/27/41/96/491274196.db2.gz DWZOAWTWKKEHBD-KBPBESRZSA-N 2 0 365.444 0.806 20 0 FCADRP [NH3+]CCC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)CC1CCCC1 ZINC000489771358 489727204 /nfs/dbraw/zinc/72/72/04/489727204.db2.gz RGUHISSWALUUJY-UHFFFAOYSA-N 2 0 350.507 0.908 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418796563 489729089 /nfs/dbraw/zinc/72/90/89/489729089.db2.gz DYYFYARSISGAGP-INIZCTEOSA-N 2 0 366.506 0.335 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000418825178 489740670 /nfs/dbraw/zinc/74/06/70/489740670.db2.gz UERCKBFPVGPYRE-SQNIBIBYSA-N 2 0 358.486 0.782 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCCC1 ZINC000418829165 489742831 /nfs/dbraw/zinc/74/28/31/489742831.db2.gz GDYOTJRABBMYMQ-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@](C[NH3+])(NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000430548318 489744484 /nfs/dbraw/zinc/74/44/84/489744484.db2.gz GWPNRUXHWPIHPL-SFHVURJKSA-N 2 0 352.523 0.855 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831555 489744897 /nfs/dbraw/zinc/74/48/97/489744897.db2.gz GPXDHIYLAHGEAY-QZTJIDSGSA-N 2 0 360.502 0.909 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[NH+](C)C)c1 ZINC000418838566 489749326 /nfs/dbraw/zinc/74/93/26/489749326.db2.gz CELAVAGKXBIOOX-ZQIUZPCESA-N 2 0 362.474 0.610 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418839730 489749572 /nfs/dbraw/zinc/74/95/72/489749572.db2.gz DMRJSJNWLZZSJH-OKZBNKHCSA-N 2 0 356.470 0.445 20 0 FCADRP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430602210 489750323 /nfs/dbraw/zinc/75/03/23/489750323.db2.gz GMQRCSFHVQMNRB-ZIAGYGMSSA-N 2 0 352.504 0.582 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418841789 489751403 /nfs/dbraw/zinc/75/14/03/489751403.db2.gz ATSIEAVXQCEKMC-CRAIPNDOSA-N 2 0 374.485 0.756 20 0 FCADRP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC(=O)N1CC[NH2+]CC1 ZINC000430606431 489751819 /nfs/dbraw/zinc/75/18/19/489751819.db2.gz VPEGBUPOQBCOFX-SFHVURJKSA-N 2 0 358.486 0.934 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000418842260 489752664 /nfs/dbraw/zinc/75/26/64/489752664.db2.gz BEKSDSUJVMGPBT-AEFFLSMTSA-N 2 0 374.485 0.769 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430614734 489753929 /nfs/dbraw/zinc/75/39/29/489753929.db2.gz AGFIDCJMLJJMRC-CQSZACIVSA-N 2 0 361.446 0.512 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000418848347 489754161 /nfs/dbraw/zinc/75/41/61/489754161.db2.gz LHEGOOIXBLBXSZ-KBAYOESNSA-N 2 0 360.502 0.719 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000418847503 489754386 /nfs/dbraw/zinc/75/43/86/489754386.db2.gz JIGMNVRWOOVKLO-ZWKOTPCHSA-N 2 0 360.502 0.876 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)c1 ZINC000418850191 489755045 /nfs/dbraw/zinc/75/50/45/489755045.db2.gz DWHZMHQEHJPAMQ-CRAIPNDOSA-N 2 0 374.485 0.769 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474317732 489755083 /nfs/dbraw/zinc/75/50/83/489755083.db2.gz XZOHPSPRUSIQBW-UHOFOFEASA-N 2 0 366.412 0.395 20 0 FCADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620184 489755979 /nfs/dbraw/zinc/75/59/79/489755979.db2.gz BVUUFCXCJVXFRV-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000418851077 489756582 /nfs/dbraw/zinc/75/65/82/489756582.db2.gz PADLJYDCYFXUQN-QGZVFWFLSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624449 489756636 /nfs/dbraw/zinc/75/66/36/489756636.db2.gz IGFDENHEMNDRAB-HIFRSBDPSA-N 2 0 350.438 0.617 20 0 FCADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630324 489757245 /nfs/dbraw/zinc/75/72/45/489757245.db2.gz YELZYRHRUKNMJN-QGZVFWFLSA-N 2 0 374.485 0.455 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000418852888 489757845 /nfs/dbraw/zinc/75/78/45/489757845.db2.gz RPAVESAJZHCBJW-YJBOKZPZSA-N 2 0 360.502 0.861 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418854945 489758306 /nfs/dbraw/zinc/75/83/06/489758306.db2.gz CJWGTVVGHIWCFU-INIZCTEOSA-N 2 0 367.538 0.025 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000418854406 489758630 /nfs/dbraw/zinc/75/86/30/489758630.db2.gz TVEZSDYXSSOGKR-SJORKVTESA-N 2 0 374.485 0.802 20 0 FCADRP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)nc12 ZINC000430637268 489760472 /nfs/dbraw/zinc/76/04/72/489760472.db2.gz CGVGIRUWTSLWEJ-MRXNPFEDSA-N 2 0 369.469 0.647 20 0 FCADRP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430640806 489761007 /nfs/dbraw/zinc/76/10/07/489761007.db2.gz HZGYMVFKBGRLPB-GJZGRUSLSA-N 2 0 362.474 0.659 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663463 489763054 /nfs/dbraw/zinc/76/30/54/489763054.db2.gz JRPXROVLBJGORW-UONOGXRCSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863668 489763164 /nfs/dbraw/zinc/76/31/64/489763164.db2.gz BSKTVWOOLJJVFL-HOTGVXAUSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671297 489764996 /nfs/dbraw/zinc/76/49/96/489764996.db2.gz XKMPKCKEEWVABR-HUUCEWRRSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000418867549 489766128 /nfs/dbraw/zinc/76/61/28/489766128.db2.gz UUGOZKNPMIVZHX-MCIONIFRSA-N 2 0 350.488 0.807 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418873650 489768930 /nfs/dbraw/zinc/76/89/30/489768930.db2.gz IICKKEGSKJTALY-KSZLIROESA-N 2 0 358.486 0.343 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)c1 ZINC000418877838 489771369 /nfs/dbraw/zinc/77/13/69/489771369.db2.gz PRFHBWWENODEDE-RHSMWYFYSA-N 2 0 362.474 0.802 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418879241 489772307 /nfs/dbraw/zinc/77/23/07/489772307.db2.gz NBPPYUVYEWNUJN-MSOLQXFVSA-N 2 0 374.485 0.209 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418882946 489773763 /nfs/dbraw/zinc/77/37/63/489773763.db2.gz ZTCSJFHPCVWQJN-GOSISDBHSA-N 2 0 374.485 0.817 20 0 FCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)S(C)(=O)=O ZINC000430927755 489778672 /nfs/dbraw/zinc/77/86/72/489778672.db2.gz RNIURRUTYGYKGS-CQSZACIVSA-N 2 0 362.540 0.222 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430950752 489781010 /nfs/dbraw/zinc/78/10/10/489781010.db2.gz SCAFXLWUCHTEIY-VXGBXAGGSA-N 2 0 354.476 0.720 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000459896327 489783903 /nfs/dbraw/zinc/78/39/03/489783903.db2.gz LXHXXSNBMHOAQS-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C2)CC1 ZINC000459895188 489784115 /nfs/dbraw/zinc/78/41/15/489784115.db2.gz KBVGUNRUOCEHKZ-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000418911855 489787596 /nfs/dbraw/zinc/78/75/96/489787596.db2.gz CBDWGSFZKSFYQB-HRCADAONSA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418913390 489788707 /nfs/dbraw/zinc/78/87/07/489788707.db2.gz DRLPPILUZLNWDH-XHSDSOJGSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418913389 489789128 /nfs/dbraw/zinc/78/91/28/489789128.db2.gz DRLPPILUZLNWDH-OAGGEKHMSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418916587 489790148 /nfs/dbraw/zinc/79/01/48/489790148.db2.gz HFMMOPVFSQGJOE-IAGOWNOFSA-N 2 0 368.522 0.483 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)CC[NH2+]1 ZINC000418919137 489791115 /nfs/dbraw/zinc/79/11/15/489791115.db2.gz WPTJZTRZYCCSLZ-UHFFFAOYSA-N 2 0 374.485 0.345 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000490994991 489792395 /nfs/dbraw/zinc/79/23/95/489792395.db2.gz MYBKZPGQBKHPJZ-HKUYNNGSSA-N 2 0 365.566 0.545 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491091236 489795275 /nfs/dbraw/zinc/79/52/75/489795275.db2.gz OFKQYBBDVKKMKF-UHFFFAOYSA-N 2 0 355.527 0.960 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000418936044 489796078 /nfs/dbraw/zinc/79/60/78/489796078.db2.gz BECSEQNJZOJAOM-RDJZCZTQSA-N 2 0 362.474 0.118 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000418939151 489796905 /nfs/dbraw/zinc/79/69/05/489796905.db2.gz HDTZNSMAUFTFRT-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccco1 ZINC000418942844 489798509 /nfs/dbraw/zinc/79/85/09/489798509.db2.gz MBBYOEAZHNBKCC-AWEZNQCLSA-N 2 0 350.463 0.989 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000418954180 489803620 /nfs/dbraw/zinc/80/36/20/489803620.db2.gz WCHCMXMXVWZJGG-UZLBHIALSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067459 491283674 /nfs/dbraw/zinc/28/36/74/491283674.db2.gz UBAJBRALYUBXDA-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418970502 489807218 /nfs/dbraw/zinc/80/72/18/489807218.db2.gz WPDNYQFLUFMTQT-KRWDZBQOSA-N 2 0 374.485 0.646 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC1 ZINC000418986971 489811668 /nfs/dbraw/zinc/81/16/68/489811668.db2.gz GUEQDWDUQVTKKF-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000418994791 489812095 /nfs/dbraw/zinc/81/20/95/489812095.db2.gz IEHVYAXGFLQEOA-ZWKOTPCHSA-N 2 0 358.486 0.932 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459994354 489812307 /nfs/dbraw/zinc/81/23/07/489812307.db2.gz UWLSSNVMZGIJFD-KRWDZBQOSA-N 2 0 367.538 0.023 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000460008857 489817329 /nfs/dbraw/zinc/81/73/29/489817329.db2.gz FPRXVYITGAPVJF-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419015875 489819048 /nfs/dbraw/zinc/81/90/48/489819048.db2.gz FJJIJAMQNXWAPM-QZTJIDSGSA-N 2 0 358.486 0.822 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017985 489819733 /nfs/dbraw/zinc/81/97/33/489819733.db2.gz BHSZMFPBYBNCPS-OWCLPIDISA-N 2 0 350.507 0.895 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419021718 489821303 /nfs/dbraw/zinc/82/13/03/489821303.db2.gz UDKBCPXRDUKHLJ-QGZVFWFLSA-N 2 0 362.474 0.331 20 0 FCADRP CC(C)Nc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000555901492 491281288 /nfs/dbraw/zinc/28/12/88/491281288.db2.gz XEYKTPGXWWBIOC-HNNXBMFYSA-N 2 0 359.478 0.077 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000460031010 489824724 /nfs/dbraw/zinc/82/47/24/489824724.db2.gz BCJRBDGMPFQYJN-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419029836 489825190 /nfs/dbraw/zinc/82/51/90/489825190.db2.gz SKYJCDKWFGRKCD-OWCLPIDISA-N 2 0 368.522 0.435 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000419034208 489826982 /nfs/dbraw/zinc/82/69/82/489826982.db2.gz DITGMQYADMTMGP-OAGGEKHMSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000419033941 489827757 /nfs/dbraw/zinc/82/77/57/489827757.db2.gz MBZKTCFGBYPULX-HNNXBMFYSA-N 2 0 368.547 0.675 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000460039392 489828317 /nfs/dbraw/zinc/82/83/17/489828317.db2.gz XSLDFULMBHDQFQ-QZTJIDSGSA-N 2 0 360.502 0.936 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000419036368 489828363 /nfs/dbraw/zinc/82/83/63/489828363.db2.gz GJINSWXKEKBSTA-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419037522 489829009 /nfs/dbraw/zinc/82/90/09/489829009.db2.gz DCEMTFZFIPPXLN-DOTOQJQBSA-N 2 0 368.522 0.626 20 0 FCADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419042014 489831501 /nfs/dbraw/zinc/83/15/01/489831501.db2.gz ORNNYKGSPHCELN-ZDUSSCGKSA-N 2 0 359.430 0.138 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000419045860 489833173 /nfs/dbraw/zinc/83/31/73/489833173.db2.gz UAQGHXQVZMGYFU-QGZVFWFLSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419048262 489834156 /nfs/dbraw/zinc/83/41/56/489834156.db2.gz ZTPANSSDRZAOPQ-KRWDZBQOSA-N 2 0 368.522 0.626 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419073856 489846469 /nfs/dbraw/zinc/84/64/69/489846469.db2.gz CXUKXUBKWHPTPE-OWCLPIDISA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551377 489846936 /nfs/dbraw/zinc/84/69/36/489846936.db2.gz DVFYTWLHHGYPQK-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])c1cccc(OC)c1 ZINC000419087227 489851270 /nfs/dbraw/zinc/85/12/70/489851270.db2.gz ZHFCPEXEQWYIJH-INIZCTEOSA-N 2 0 350.463 0.611 20 0 FCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000419091217 489852462 /nfs/dbraw/zinc/85/24/62/489852462.db2.gz VYIZWPUEYFQORM-IJEWVQPXSA-N 2 0 368.522 0.624 20 0 FCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419091136 489852824 /nfs/dbraw/zinc/85/28/24/489852824.db2.gz VTGNLARYPPSEEV-XHSDSOJGSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419099635 489854773 /nfs/dbraw/zinc/85/47/73/489854773.db2.gz FDTJJOLXIUWRAG-OAHLLOKOSA-N 2 0 362.474 0.283 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067457 491283766 /nfs/dbraw/zinc/28/37/66/491283766.db2.gz UBAJBRALYUBXDA-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000419109226 489858151 /nfs/dbraw/zinc/85/81/51/489858151.db2.gz MOEKZPHSOYFCFB-CZUORRHYSA-N 2 0 364.465 0.947 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419119975 489864008 /nfs/dbraw/zinc/86/40/08/489864008.db2.gz KRGFOBOWCCYDNU-YYIAUSFCSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419119974 489864302 /nfs/dbraw/zinc/86/43/02/489864302.db2.gz KRGFOBOWCCYDNU-TWMKSMIVSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000419120624 489865324 /nfs/dbraw/zinc/86/53/24/489865324.db2.gz ZSGCOLRNCDKUNB-IBGZPJMESA-N 2 0 362.449 0.716 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000419123040 489867043 /nfs/dbraw/zinc/86/70/43/489867043.db2.gz OUWLTDWGQWUZJW-ARFHVFGLSA-N 2 0 354.495 0.332 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000433155746 489868774 /nfs/dbraw/zinc/86/87/74/489868774.db2.gz GJQUFLUHTJJRBQ-INIZCTEOSA-N 2 0 366.506 0.287 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433141762 489869156 /nfs/dbraw/zinc/86/91/56/489869156.db2.gz BFWDGZWWVPBUGR-HZPDHXFCSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000494127614 489870544 /nfs/dbraw/zinc/87/05/44/489870544.db2.gz MVFGGHJBJIWZLS-CALCHBBNSA-N 2 0 363.506 0.967 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419990662 489874965 /nfs/dbraw/zinc/87/49/65/489874965.db2.gz JZNMAPVORQTHBT-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433336341 489876393 /nfs/dbraw/zinc/87/63/93/489876393.db2.gz PEUONBILSQUFFT-INIZCTEOSA-N 2 0 356.511 0.897 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000433333332 489876838 /nfs/dbraw/zinc/87/68/38/489876838.db2.gz GFPBCKCRVYCUHB-MRXNPFEDSA-N 2 0 356.511 0.491 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000420003600 489878494 /nfs/dbraw/zinc/87/84/94/489878494.db2.gz TVFFUURMZFUZRK-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420012149 489880738 /nfs/dbraw/zinc/88/07/38/489880738.db2.gz ASVSPJZLRJOMGV-VNHYZAJKSA-N 2 0 354.495 0.404 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420012151 489880812 /nfs/dbraw/zinc/88/08/12/489880812.db2.gz ASVSPJZLRJOMGV-YDHLFZDLSA-N 2 0 354.495 0.404 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433393303 489881208 /nfs/dbraw/zinc/88/12/08/489881208.db2.gz CNBYTJDRDSSJEV-OAHLLOKOSA-N 2 0 352.483 0.633 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000420015456 489881733 /nfs/dbraw/zinc/88/17/33/489881733.db2.gz QJDCRBCZRJNIBT-MRXNPFEDSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000420019468 489882638 /nfs/dbraw/zinc/88/26/38/489882638.db2.gz QZJDBMZJVSRVKR-KLHDSHLOSA-N 2 0 354.495 0.236 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420032565 489887321 /nfs/dbraw/zinc/88/73/21/489887321.db2.gz MZOAMIOUYKMFPQ-INIZCTEOSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000564045417 491285443 /nfs/dbraw/zinc/28/54/43/491285443.db2.gz XFHIQTKMFONIGT-JKSUJKDBSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000564045416 491285540 /nfs/dbraw/zinc/28/55/40/491285540.db2.gz XFHIQTKMFONIGT-HZPDHXFCSA-N 2 0 356.511 0.260 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420050586 489893640 /nfs/dbraw/zinc/89/36/40/489893640.db2.gz ZEJJDIAAOQADSN-ILXRZTDVSA-N 2 0 354.495 0.406 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064849 489900182 /nfs/dbraw/zinc/90/01/82/489900182.db2.gz OYHFQPWENXRXNK-HOCLYGCPSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420067838 489902680 /nfs/dbraw/zinc/90/26/80/489902680.db2.gz YMSIZIFGOSWVOB-MRXNPFEDSA-N 2 0 354.495 0.189 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070578 489903649 /nfs/dbraw/zinc/90/36/49/489903649.db2.gz JUFHETCAOFFAFG-KRWDZBQOSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000420080354 489905082 /nfs/dbraw/zinc/90/50/82/489905082.db2.gz GPOPAYVMDWVBQD-FMKPAKJESA-N 2 0 354.495 0.236 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420080859 489905690 /nfs/dbraw/zinc/90/56/90/489905690.db2.gz HFSMIERICLNAEY-GASCZTMLSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000461520757 489916205 /nfs/dbraw/zinc/91/62/05/489916205.db2.gz PPMKCMDOOPSQPF-QGZVFWFLSA-N 2 0 353.467 0.134 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000461524219 489916504 /nfs/dbraw/zinc/91/65/04/489916504.db2.gz PZKDWESNJRSUPD-UHFFFAOYSA-N 2 0 358.446 0.750 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000377561348 489920897 /nfs/dbraw/zinc/92/08/97/489920897.db2.gz HHCINSWSKJRTPU-BYCMXARLSA-N 2 0 355.385 0.807 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000420125460 489920866 /nfs/dbraw/zinc/92/08/66/489920866.db2.gz PWPCPHLOFUYOLC-CQSZACIVSA-N 2 0 363.462 0.373 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420154840 489934153 /nfs/dbraw/zinc/93/41/53/489934153.db2.gz JOJNBCKNILBONH-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420156634 489935194 /nfs/dbraw/zinc/93/51/94/489935194.db2.gz ACASEASZTTXWHZ-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420167686 489938079 /nfs/dbraw/zinc/93/80/79/489938079.db2.gz PPQYOFVMZMYKOP-MRXNPFEDSA-N 2 0 368.522 0.186 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169564 489938901 /nfs/dbraw/zinc/93/89/01/489938901.db2.gz RKLGXCDXKQHEIY-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171089 489939049 /nfs/dbraw/zinc/93/90/49/489939049.db2.gz SRQNCPXIIJNIPU-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000477087314 489940794 /nfs/dbraw/zinc/94/07/94/489940794.db2.gz WJHGUKDQGZFHAE-DLBZAZTESA-N 2 0 369.554 0.221 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420187135 489945309 /nfs/dbraw/zinc/94/53/09/489945309.db2.gz LUTQRTBYLMNLLM-GOSISDBHSA-N 2 0 374.485 0.216 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000420189722 489946527 /nfs/dbraw/zinc/94/65/27/489946527.db2.gz GNCZHSSJLMFNBZ-VUROTCPHSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420190733 489946858 /nfs/dbraw/zinc/94/68/58/489946858.db2.gz HFVZSZAEUWAMBK-GOEBONIOSA-N 2 0 364.465 0.960 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420197106 489948744 /nfs/dbraw/zinc/94/87/44/489948744.db2.gz LGEGIWSBHKPXRL-YOEHRIQHSA-N 2 0 364.465 0.960 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000462003297 489949616 /nfs/dbraw/zinc/94/96/16/489949616.db2.gz OHVRGOGGLBKJEV-INIZCTEOSA-N 2 0 355.527 0.911 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000462005614 489950429 /nfs/dbraw/zinc/95/04/29/489950429.db2.gz DEEGHYVBQCEHCA-QZTJIDSGSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377734742 489950529 /nfs/dbraw/zinc/95/05/29/489950529.db2.gz OQTUPUZOSLQPCD-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP COc1cccc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556050071 491291265 /nfs/dbraw/zinc/29/12/65/491291265.db2.gz PBCAWFAGIJLCRI-UHFFFAOYSA-N 2 0 350.463 0.894 20 0 FCADRP COc1ccc([C@H](C[NH3+])CN2CCN(c3nccn(C)c3=O)CC2)cc1 ZINC000420306365 489961222 /nfs/dbraw/zinc/96/12/22/489961222.db2.gz ALQRQHWPXFNQAC-MRXNPFEDSA-N 2 0 357.458 0.653 20 0 FCADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1S(N)(=O)=O ZINC000420306917 489961460 /nfs/dbraw/zinc/96/14/60/489961460.db2.gz HZJKPNRLTVEDPT-CYBMUJFWSA-N 2 0 354.476 0.642 20 0 FCADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420329683 489963672 /nfs/dbraw/zinc/96/36/72/489963672.db2.gz HCRJKFGCYMWDFK-BETUJISGSA-N 2 0 360.414 0.995 20 0 FCADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351034 489966569 /nfs/dbraw/zinc/96/65/69/489966569.db2.gz VQFFKPPOSPLDBY-SFHVURJKSA-N 2 0 360.502 0.893 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374767 489970021 /nfs/dbraw/zinc/97/00/21/489970021.db2.gz SJLIKEXXHAEMSI-ROUUACIJSA-N 2 0 354.539 0.957 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000420411376 489973537 /nfs/dbraw/zinc/97/35/37/489973537.db2.gz BVVQWIHKXHJIJX-SWLSCSKDSA-N 2 0 357.524 0.728 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477615632 489977417 /nfs/dbraw/zinc/97/74/17/489977417.db2.gz MGSYMNGTUXZSSM-RDJZCZTQSA-N 2 0 368.522 0.545 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000477616744 489977759 /nfs/dbraw/zinc/97/77/59/489977759.db2.gz OTTNVUBIVSUKCH-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000477654488 489982451 /nfs/dbraw/zinc/98/24/51/489982451.db2.gz UATLTQMLUIZUNC-UHFFFAOYSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462749935 489990857 /nfs/dbraw/zinc/99/08/57/489990857.db2.gz WDFAHWSHEBWWMD-UHFFFAOYSA-N 2 0 356.492 0.807 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000571149414 491288416 /nfs/dbraw/zinc/28/84/16/491288416.db2.gz DFSZAQOWBBYROY-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478067478 490003542 /nfs/dbraw/zinc/00/35/42/490003542.db2.gz ZIZPWHZGXPCQBA-RTBURBONSA-N 2 0 358.486 0.394 20 0 FCADRP CN(CC(=O)OC(C)(C)C)C[C@H]1CN(CC[N@@H+]2CCCOCC2)CCO1 ZINC000463196871 490003791 /nfs/dbraw/zinc/00/37/91/490003791.db2.gz GLOQCCGANWMGQA-KRWDZBQOSA-N 2 0 371.522 0.683 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(CCCC[NH3+])nn3)nc2)CC1 ZINC000564208384 491294108 /nfs/dbraw/zinc/29/41/08/491294108.db2.gz VIEDVCXHYGEYEW-UHFFFAOYSA-N 2 0 358.450 0.416 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420900056 490029217 /nfs/dbraw/zinc/02/92/17/490029217.db2.gz IBRJVRVTOOUVRP-JCYILVPMSA-N 2 0 368.522 0.448 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973308 490034530 /nfs/dbraw/zinc/03/45/30/490034530.db2.gz YUWQNSPDXAHITC-LSDHHAIUSA-N 2 0 351.499 0.934 20 0 FCADRP C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000378284457 490039630 /nfs/dbraw/zinc/03/96/30/490039630.db2.gz CDRFCDFPVJMINR-AWEZNQCLSA-N 2 0 360.458 0.750 20 0 FCADRP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1=CC[N@H+](C)CC1 ZINC000442341744 490059389 /nfs/dbraw/zinc/05/93/89/490059389.db2.gz QKSXFWDKPVHATI-ZDUSSCGKSA-N 2 0 354.414 0.972 20 0 FCADRP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057609 490066000 /nfs/dbraw/zinc/06/60/00/490066000.db2.gz HIQHQQSFBJZWJR-HNNXBMFYSA-N 2 0 362.474 0.964 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)CC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000495687022 490088017 /nfs/dbraw/zinc/08/80/17/490088017.db2.gz XIJUZWYDLMHPHI-UHFFFAOYSA-N 2 0 373.501 0.332 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000545171077 490090430 /nfs/dbraw/zinc/09/04/30/490090430.db2.gz GRWWPKIHEPFEEK-HXUWFJFHSA-N 2 0 374.485 0.446 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000465175556 490091154 /nfs/dbraw/zinc/09/11/54/490091154.db2.gz BJAPDTFLRUMRKV-QZTJIDSGSA-N 2 0 369.554 0.404 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000532672972 490094222 /nfs/dbraw/zinc/09/42/22/490094222.db2.gz BMEMFSPZFHJIBP-OALUTQOASA-N 2 0 366.550 0.898 20 0 FCADRP CN(C[C@@H]1CCC[NH+]1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704358 490099816 /nfs/dbraw/zinc/09/98/16/490099816.db2.gz ONVJOJNPFVUNIT-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)CC1 ZINC000506525139 490101705 /nfs/dbraw/zinc/10/17/05/490101705.db2.gz QQCGVDSHJUHYCY-SFHVURJKSA-N 2 0 355.527 0.157 20 0 FCADRP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000479689065 490116226 /nfs/dbraw/zinc/11/62/26/490116226.db2.gz QOTOMAUTXTXHAC-HOTGVXAUSA-N 2 0 374.551 0.348 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000496365781 490116327 /nfs/dbraw/zinc/11/63/27/490116327.db2.gz UWHFMZVYEMRNJV-OAHLLOKOSA-N 2 0 369.554 0.221 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000520236977 490120732 /nfs/dbraw/zinc/12/07/32/490120732.db2.gz LAHAGKHQOUOKHE-CQSZACIVSA-N 2 0 353.511 0.711 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000520242858 490121878 /nfs/dbraw/zinc/12/18/78/490121878.db2.gz HTKWUMQPOANDJO-KRWDZBQOSA-N 2 0 356.511 0.491 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000520237187 490121890 /nfs/dbraw/zinc/12/18/90/490121890.db2.gz VVUZUHIGPMZHEL-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677478 490125294 /nfs/dbraw/zinc/12/52/94/490125294.db2.gz CPIQACGNTQKIFU-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000422023512 490127487 /nfs/dbraw/zinc/12/74/87/490127487.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 2 0 363.550 0.395 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)o1 ZINC000532854196 490129020 /nfs/dbraw/zinc/12/90/20/490129020.db2.gz DHWJSMVJTHUKGD-UHFFFAOYSA-N 2 0 361.464 0.489 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000388418554 490133627 /nfs/dbraw/zinc/13/36/27/490133627.db2.gz PNLAMYCECOIYHD-SFHVURJKSA-N 2 0 358.486 0.837 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000497319205 490145145 /nfs/dbraw/zinc/14/51/45/490145145.db2.gz NLWHJOQPHIYECJ-CQSZACIVSA-N 2 0 358.552 0.810 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480030205 490152331 /nfs/dbraw/zinc/15/23/31/490152331.db2.gz IFSMYNWZHXWBTH-HZPDHXFCSA-N 2 0 364.494 0.728 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556205755 491302974 /nfs/dbraw/zinc/30/29/74/491302974.db2.gz IONDSYQECYFYLY-KRWDZBQOSA-N 2 0 358.552 0.730 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000556205164 491303029 /nfs/dbraw/zinc/30/30/29/491303029.db2.gz HADBSVNZDLFUIH-YOEHRIQHSA-N 2 0 354.520 0.237 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206280 491303120 /nfs/dbraw/zinc/30/31/20/491303120.db2.gz KPVHDOFIVGXRDC-PBHICJAKSA-N 2 0 356.536 0.531 20 0 FCADRP COc1cc(C[NH2+]C[C@H]2CN(C)CCN2C)cc(Cl)c1OCC(N)=O ZINC000392629775 490153328 /nfs/dbraw/zinc/15/33/28/490153328.db2.gz XXYMHPVQDXTAFX-ZDUSSCGKSA-N 2 0 370.881 0.548 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206671 491303142 /nfs/dbraw/zinc/30/31/42/491303142.db2.gz MMWDZTNIHAESQE-KRWDZBQOSA-N 2 0 356.536 0.340 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272729 490156067 /nfs/dbraw/zinc/15/60/67/490156067.db2.gz UKNIZEZYJWMKSY-NXEZDXNNSA-N 2 0 366.506 0.223 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000465960112 490157587 /nfs/dbraw/zinc/15/75/87/490157587.db2.gz VGBLAMSQXZDBNL-SJORKVTESA-N 2 0 365.522 0.844 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962471 490158854 /nfs/dbraw/zinc/15/88/54/490158854.db2.gz YTBNPLBNDVUFOW-IAGOWNOFSA-N 2 0 367.538 0.947 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548749 490160306 /nfs/dbraw/zinc/16/03/06/490160306.db2.gz OQBMPWGFOFTFRY-QWHCGFSZSA-N 2 0 351.417 0.558 20 0 FCADRP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000466150860 490168087 /nfs/dbraw/zinc/16/80/87/490168087.db2.gz VTVPNENVIHECQU-QGZVFWFLSA-N 2 0 369.554 0.622 20 0 FCADRP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCN(C)CC1 ZINC000466133538 490168190 /nfs/dbraw/zinc/16/81/90/490168190.db2.gz FJOSIPNAJHNOHG-KRWDZBQOSA-N 2 0 369.554 0.358 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000422117745 490168674 /nfs/dbraw/zinc/16/86/74/490168674.db2.gz MGOZPKOSFBBJGT-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP Cc1ncsc1CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000571381813 491304337 /nfs/dbraw/zinc/30/43/37/491304337.db2.gz GZSBNHUZCOGLRV-UHFFFAOYSA-N 2 0 355.508 0.362 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401116 491305230 /nfs/dbraw/zinc/30/52/30/491305230.db2.gz PYNVTMUBRWYQIF-AEFFLSMTSA-N 2 0 362.522 0.811 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000480338152 490181416 /nfs/dbraw/zinc/18/14/16/490181416.db2.gz RMOQLLLQYHHGEY-UHFFFAOYSA-N 2 0 357.524 0.824 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000466502802 490192186 /nfs/dbraw/zinc/19/21/86/490192186.db2.gz ITYJZFQYAVVRTE-YCPHGPKFSA-N 2 0 351.495 0.356 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577742 490196546 /nfs/dbraw/zinc/19/65/46/490196546.db2.gz YXKQFOULKVCNRR-AEFFLSMTSA-N 2 0 367.538 0.158 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000520852550 490199689 /nfs/dbraw/zinc/19/96/89/490199689.db2.gz TUJWHAOBUIMUIG-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000571428367 491307371 /nfs/dbraw/zinc/30/73/71/491307371.db2.gz IBRKCMHRNWRQCF-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000521070738 490222146 /nfs/dbraw/zinc/22/21/46/490222146.db2.gz GSCOBVDBKIHRMZ-ZNMIVQPWSA-N 2 0 354.495 0.452 20 0 FCADRP CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[NH+](C)C)cc1 ZINC000521272696 490244126 /nfs/dbraw/zinc/24/41/26/490244126.db2.gz FGGVEGOPALKRSV-BZSNNMDCSA-N 2 0 373.501 0.805 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2nccn2C)CCN1Cc1ccccc1 ZINC000422311413 490249586 /nfs/dbraw/zinc/24/95/86/490249586.db2.gz YJGLFBFOVBXXOL-HNNXBMFYSA-N 2 0 355.442 0.769 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363875 491312298 /nfs/dbraw/zinc/31/22/98/491312298.db2.gz PFEXHRSEBZDBNB-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H]1C ZINC000521591432 490278205 /nfs/dbraw/zinc/27/82/05/490278205.db2.gz WMCFDJGNHLLYBW-MGLUKCQKSA-N 2 0 351.495 0.462 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000521624436 490283349 /nfs/dbraw/zinc/28/33/49/490283349.db2.gz AQMACGHOJGIEOJ-GJZGRUSLSA-N 2 0 355.508 0.292 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000521648660 490286733 /nfs/dbraw/zinc/28/67/33/490286733.db2.gz KEYYTPUQCSCXIJ-INIZCTEOSA-N 2 0 373.501 0.715 20 0 FCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000422399755 490299270 /nfs/dbraw/zinc/29/92/70/490299270.db2.gz AKZIHHRIVDONHK-HNNXBMFYSA-N 2 0 350.438 0.714 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000521875335 490306373 /nfs/dbraw/zinc/30/63/73/490306373.db2.gz ZTQHVQOESDPLJN-QWHCGFSZSA-N 2 0 350.467 0.720 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000521875336 490306603 /nfs/dbraw/zinc/30/66/03/490306603.db2.gz ZTQHVQOESDPLJN-STQMWFEESA-N 2 0 350.467 0.720 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000483423209 490317409 /nfs/dbraw/zinc/31/74/09/490317409.db2.gz XXXAAOWJVMESBP-JKSUJKDBSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000522035616 490331741 /nfs/dbraw/zinc/33/17/41/490331741.db2.gz BJOBYHCFQMRCIX-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)CC[C@@H]2C)CC1=O ZINC000498725949 490332522 /nfs/dbraw/zinc/33/25/22/490332522.db2.gz KTZRZPPJPYXVJH-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138263 490345499 /nfs/dbraw/zinc/34/54/99/490345499.db2.gz VRDWFWQBUWXCKP-QZTJIDSGSA-N 2 0 358.486 0.952 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483800707 490346311 /nfs/dbraw/zinc/34/63/11/490346311.db2.gz PRCPTVGSFRCAAY-INIZCTEOSA-N 2 0 355.527 0.375 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436508 490349745 /nfs/dbraw/zinc/34/97/45/490349745.db2.gz NLNNTGNYNIKZIR-DLBZAZTESA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436509 490351361 /nfs/dbraw/zinc/35/13/61/490351361.db2.gz NLNNTGNYNIKZIR-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000422488600 490355394 /nfs/dbraw/zinc/35/53/94/490355394.db2.gz KLJPAZMQVBZIRT-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000498855770 490355648 /nfs/dbraw/zinc/35/56/48/490355648.db2.gz MXIXJUZXMFXNQD-UHFFFAOYSA-N 2 0 350.507 0.945 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000522267921 490364415 /nfs/dbraw/zinc/36/44/15/490364415.db2.gz YCAMANUAMNZPHW-GOSISDBHSA-N 2 0 369.554 0.406 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCCCC1 ZINC000571658701 491321110 /nfs/dbraw/zinc/32/11/10/491321110.db2.gz QKTIBQCJGQATMK-CABCVRRESA-N 2 0 351.495 0.594 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000534590361 490387113 /nfs/dbraw/zinc/38/71/13/490387113.db2.gz DYFBIGAOKJXBHS-LSDHHAIUSA-N 2 0 356.536 0.483 20 0 FCADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564725749 491322706 /nfs/dbraw/zinc/32/27/06/491322706.db2.gz FDROJLJGPZFYNC-FUHWJXTLSA-N 2 0 373.501 0.182 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000534718400 490401391 /nfs/dbraw/zinc/40/13/91/490401391.db2.gz XBBBMXCZJFNJDK-KRWDZBQOSA-N 2 0 365.522 0.809 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000422548552 490401861 /nfs/dbraw/zinc/40/18/61/490401861.db2.gz ZGMCNZPFDPADIN-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739113 491324062 /nfs/dbraw/zinc/32/40/62/491324062.db2.gz BHGVUVJPFWASBD-KZNAEPCWSA-N 2 0 371.485 0.462 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723286 491325189 /nfs/dbraw/zinc/32/51/89/491325189.db2.gz FJYCDODNBZZQOC-INIZCTEOSA-N 2 0 355.504 0.835 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000523000981 490426632 /nfs/dbraw/zinc/42/66/32/490426632.db2.gz HSUTUFDXEWQODO-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP C[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)CC[C@H]2C)[C@@H]1C(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000449856341 490432466 /nfs/dbraw/zinc/43/24/66/490432466.db2.gz MWYKHQLWGGBHBY-CWQOZTLDSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422625605 490433792 /nfs/dbraw/zinc/43/37/92/490433792.db2.gz BXFIQYAPNBTENS-HZSPNIEDSA-N 2 0 368.503 0.968 20 0 FCADRP 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 ZINC000449944333 490437851 /nfs/dbraw/zinc/43/78/51/490437851.db2.gz HLQMMFMOQKKZRX-CWQOZTLDSA-N 2 0 364.534 0.974 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)CC1=O ZINC000509636962 490446033 /nfs/dbraw/zinc/44/60/33/490446033.db2.gz VALJLQDTSQNJBB-QBPKDAKJSA-N 2 0 350.507 0.870 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000523209567 490448874 /nfs/dbraw/zinc/44/88/74/490448874.db2.gz PIOZWNRWZLCFEX-NVXWUHKLSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210428 490449413 /nfs/dbraw/zinc/44/94/13/490449413.db2.gz ZEQABIPVQIVJFW-DLBZAZTESA-N 2 0 367.538 0.959 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000509721001 490456007 /nfs/dbraw/zinc/45/60/07/490456007.db2.gz LWWNFBGBFMEOIY-OAHLLOKOSA-N 2 0 356.511 0.260 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000422720867 490465869 /nfs/dbraw/zinc/46/58/69/490465869.db2.gz UASMZFGFZXANGP-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746100 490469043 /nfs/dbraw/zinc/46/90/43/490469043.db2.gz VYWIRRLMIOYOSS-HZPDHXFCSA-N 3 0 368.522 0.485 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000509832393 490469233 /nfs/dbraw/zinc/46/92/33/490469233.db2.gz DIWHCIVBOKVQEX-ZDUSSCGKSA-N 2 0 363.462 0.582 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000422758063 490470613 /nfs/dbraw/zinc/47/06/13/490470613.db2.gz KBWNEMJIYOXWKG-IRXDYDNUSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770984 490473886 /nfs/dbraw/zinc/47/38/86/490473886.db2.gz QYTRATFOQSVSFY-WBVHZDCISA-N 2 0 353.488 0.925 20 0 FCADRP CN1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000500054605 490480975 /nfs/dbraw/zinc/48/09/75/490480975.db2.gz RWLJRYQOEKGXBI-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846243 490485087 /nfs/dbraw/zinc/48/50/87/490485087.db2.gz FEPIQQFWRBHWFS-CABCVRRESA-N 2 0 355.479 0.535 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843319 490485544 /nfs/dbraw/zinc/48/55/44/490485544.db2.gz HVIUIAJPOVOKAB-ZWKOTPCHSA-N 2 0 361.490 0.477 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000500432066 490515237 /nfs/dbraw/zinc/51/52/37/490515237.db2.gz MSHHIOOFCUONFW-QGZVFWFLSA-N 2 0 360.502 0.876 20 0 FCADRP CCN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423058242 490531768 /nfs/dbraw/zinc/53/17/68/490531768.db2.gz JAKLCZGLEUBHDS-FUHWJXTLSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423058768 490531848 /nfs/dbraw/zinc/53/18/48/490531848.db2.gz DBFSJMDBSCTCHT-IRXDYDNUSA-N 2 0 352.523 0.881 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063747 490557982 /nfs/dbraw/zinc/55/79/82/490557982.db2.gz IKUZTUJXWMKCTE-CVEARBPZSA-N 2 0 374.551 0.142 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000500848353 490558728 /nfs/dbraw/zinc/55/87/28/490558728.db2.gz VDADCLOGPMWCNP-HZPDHXFCSA-N 2 0 353.511 0.890 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)CC1=O ZINC000524775069 490559342 /nfs/dbraw/zinc/55/93/42/490559342.db2.gz OPVKVPMXPHTFRL-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000524858401 490565460 /nfs/dbraw/zinc/56/54/60/490565460.db2.gz GETGWUIGXZPVPO-CVEARBPZSA-N 2 0 351.495 0.454 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000571908235 491336767 /nfs/dbraw/zinc/33/67/67/491336767.db2.gz XEPJPRCCMHLLRK-INIZCTEOSA-N 2 0 368.522 0.992 20 0 FCADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC[N@@H+]1CCOC ZINC000501070559 490576478 /nfs/dbraw/zinc/57/64/78/490576478.db2.gz FKMYPRWYUYFLDT-IAGOWNOFSA-N 2 0 356.511 0.849 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](COC(F)F)C1 ZINC000556795378 491337241 /nfs/dbraw/zinc/33/72/41/491337241.db2.gz LWGWOSYAQOCJJP-CYBMUJFWSA-N 2 0 364.437 0.026 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3nc4ccccn4c3=O)C2)CC1 ZINC000525171016 490580165 /nfs/dbraw/zinc/58/01/65/490580165.db2.gz LBRXNHKZBPFCTK-KRWDZBQOSA-N 2 0 358.490 0.596 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410161 490592172 /nfs/dbraw/zinc/59/21/72/490592172.db2.gz MYOZHKNERLXMCI-ZBFHGGJFSA-N 2 0 351.495 0.523 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958135 491339919 /nfs/dbraw/zinc/33/99/19/491339919.db2.gz JARNTSJVCMFVDJ-WMLDXEAASA-N 2 0 362.474 0.769 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000549944504 490615933 /nfs/dbraw/zinc/61/59/33/490615933.db2.gz HNOLGFHUDYZRHO-UHFFFAOYSA-N 2 0 352.454 0.962 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525686431 490618226 /nfs/dbraw/zinc/61/82/26/490618226.db2.gz SZRHUYZBNLEVKQ-IBGZPJMESA-N 2 0 365.566 0.687 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589252 490619377 /nfs/dbraw/zinc/61/93/77/490619377.db2.gz ODWZRGRNOLICRE-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615179 490624608 /nfs/dbraw/zinc/62/46/08/490624608.db2.gz VDHOLJCSYXRVCC-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001200 491342143 /nfs/dbraw/zinc/34/21/43/491342143.db2.gz BEWWFQKTKXAEDV-MOPGFXCFSA-N 2 0 359.518 0.385 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000486659260 490656985 /nfs/dbraw/zinc/65/69/85/490656985.db2.gz RZGAYTOLETZYRY-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000572015197 491343231 /nfs/dbraw/zinc/34/32/31/491343231.db2.gz FCZDCDMXEHVLJL-UHFFFAOYSA-N 2 0 353.511 0.572 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000564985746 491343549 /nfs/dbraw/zinc/34/35/49/491343549.db2.gz MKSVHGYNWOGJJF-CFVMTHIKSA-N 2 0 363.458 0.998 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000572028836 491343628 /nfs/dbraw/zinc/34/36/28/491343628.db2.gz HMTRIOQEIWQUHF-CABCVRRESA-N 2 0 353.438 0.742 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486721761 490664546 /nfs/dbraw/zinc/66/45/46/490664546.db2.gz ICGGEKWPRKBDBI-YVSFHVDLSA-N 2 0 352.523 0.689 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000572027073 491343797 /nfs/dbraw/zinc/34/37/97/491343797.db2.gz XCEHQFYMKZAOAF-WAOWUJCRSA-N 2 0 370.497 0.884 20 0 FCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC(C)CC1 ZINC000512243114 490666450 /nfs/dbraw/zinc/66/64/50/490666450.db2.gz OIMGMMIDDHCYBB-GOSISDBHSA-N 2 0 354.539 0.613 20 0 FCADRP NC(=O)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000512240457 490666745 /nfs/dbraw/zinc/66/67/45/490666745.db2.gz AUPBREVYUZTRTI-QGZVFWFLSA-N 2 0 352.454 0.332 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486807608 490672792 /nfs/dbraw/zinc/67/27/92/490672792.db2.gz ICOADIYTCKXIEZ-WJQMWINMSA-N 2 0 364.534 0.925 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000526169836 490679588 /nfs/dbraw/zinc/67/95/88/490679588.db2.gz HRNGAWUENQFLEQ-UHFFFAOYSA-N 2 0 357.480 0.291 20 0 FCADRP Cn1ccc(N2CCC[C@H](N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043797 491347491 /nfs/dbraw/zinc/34/74/91/491347491.db2.gz IPKBIEKMSWWSQH-GJZGRUSLSA-N 2 0 358.450 0.303 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512806733 490699845 /nfs/dbraw/zinc/69/98/45/490699845.db2.gz AVXBKCGWPWZIBG-QGZVFWFLSA-N 2 0 355.527 0.112 20 0 FCADRP Cn1ccc(N2CCC[C@@H](N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043861 491347626 /nfs/dbraw/zinc/34/76/26/491347626.db2.gz IPKBIEKMSWWSQH-HUUCEWRRSA-N 2 0 358.450 0.303 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512820557 490701074 /nfs/dbraw/zinc/70/10/74/490701074.db2.gz MPUFWJAMGMELRB-UHFFFAOYSA-N 2 0 369.554 0.360 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000527126997 490701077 /nfs/dbraw/zinc/70/10/77/490701077.db2.gz NJBAONGRLSWGDD-UHFFFAOYSA-N 2 0 357.480 0.442 20 0 FCADRP CN(C(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512851479 490702122 /nfs/dbraw/zinc/70/21/22/490702122.db2.gz JPXQRCVYYBRBOR-SFHVURJKSA-N 2 0 367.538 0.255 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557001611 491348715 /nfs/dbraw/zinc/34/87/15/491348715.db2.gz UPIHXHPWQYSVJI-DOTOQJQBSA-N 2 0 366.506 0.299 20 0 FCADRP CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000513179431 490713222 /nfs/dbraw/zinc/71/32/22/490713222.db2.gz XYFLWSYTHHIGFO-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011952 491349151 /nfs/dbraw/zinc/34/91/51/491349151.db2.gz QFXWCBVFSQVGBI-WBVHZDCISA-N 2 0 362.449 0.898 20 0 FCADRP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000487553958 490718041 /nfs/dbraw/zinc/71/80/41/490718041.db2.gz QLSZNTGPTJKRMR-XJNFMUPTSA-N 2 0 350.507 0.441 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCOCC1 ZINC000487694732 490725842 /nfs/dbraw/zinc/72/58/42/490725842.db2.gz FFRAUWQQXKMBSF-IAGOWNOFSA-N 2 0 368.522 0.774 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747368 490728467 /nfs/dbraw/zinc/72/84/67/490728467.db2.gz GETUXCZSQYADEX-HNNXBMFYSA-N 2 0 362.540 0.142 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000502915761 490730093 /nfs/dbraw/zinc/73/00/93/490730093.db2.gz BNKAKGVSTSDSAX-IXDOHACOSA-N 2 0 356.511 0.584 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121545 491354513 /nfs/dbraw/zinc/35/45/13/491354513.db2.gz VPMNGNBRZQYZHV-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851631 490778910 /nfs/dbraw/zinc/77/89/10/490778910.db2.gz JIZKLBNKFNMNQP-MLHJIOFPSA-N 2 0 351.539 0.994 20 0 FCADRP CC(C)[NH+](C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000540051789 490806636 /nfs/dbraw/zinc/80/66/36/490806636.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 2 0 358.552 0.727 20 0 FCADRP CCc1nn(C)c(OC)c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000540084499 490807816 /nfs/dbraw/zinc/80/78/16/490807816.db2.gz LMVNODDPDZKUNL-UHFFFAOYSA-N 2 0 354.499 0.626 20 0 FCADRP Cc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1-c1nc[nH]n1 ZINC000540524685 490826904 /nfs/dbraw/zinc/82/69/04/490826904.db2.gz JLSZTFCOUPOFGN-UHFFFAOYSA-N 2 0 363.470 0.039 20 0 FCADRP [NH3+]C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000515810869 490839574 /nfs/dbraw/zinc/83/95/74/490839574.db2.gz CGSFBZAVCAVXJJ-QGZVFWFLSA-N 2 0 355.442 0.571 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515919441 490843667 /nfs/dbraw/zinc/84/36/67/490843667.db2.gz KRVTYOTUHJKOBC-KRWDZBQOSA-N 3 0 367.538 0.071 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000516059002 490848228 /nfs/dbraw/zinc/84/82/28/490848228.db2.gz VGRVPYWDAUHJMN-CQSZACIVSA-N 2 0 352.483 0.524 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529322095 490851600 /nfs/dbraw/zinc/85/16/00/490851600.db2.gz KMALYOKIZNIDPC-MSOLQXFVSA-N 2 0 362.474 0.565 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529322099 490851642 /nfs/dbraw/zinc/85/16/42/490851642.db2.gz KMALYOKIZNIDPC-ROUUACIJSA-N 2 0 362.474 0.565 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C(C)C ZINC000541182958 490854285 /nfs/dbraw/zinc/85/42/85/490854285.db2.gz GTYSBTLCGFIBQN-OAHLLOKOSA-N 2 0 364.494 0.941 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000516175624 490854811 /nfs/dbraw/zinc/85/48/11/490854811.db2.gz QPVRNZGWLINEMM-JKIFEVAISA-N 2 0 353.438 0.615 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207286 490856910 /nfs/dbraw/zinc/85/69/10/490856910.db2.gz MSHUZCGXGSYJKD-DLBZAZTESA-N 2 0 366.506 0.300 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516470375 490864718 /nfs/dbraw/zinc/86/47/18/490864718.db2.gz QBKOSMKGKNRLNP-JKSUJKDBSA-N 2 0 361.490 0.752 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC3CCOCC3)CC2)CC1 ZINC000541665623 490868589 /nfs/dbraw/zinc/86/85/89/490868589.db2.gz PGKBZFGNGLFNMO-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000516635195 490871715 /nfs/dbraw/zinc/87/17/15/490871715.db2.gz QSSSJVWATUSHSC-GJZGRUSLSA-N 2 0 368.865 0.164 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000541809489 490872786 /nfs/dbraw/zinc/87/27/86/490872786.db2.gz IUTCDJAVNCAWGY-SFHVURJKSA-N 2 0 363.550 0.252 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660095 490873553 /nfs/dbraw/zinc/87/35/53/490873553.db2.gz KSVYRHAJXLQSSD-GOEBONIOSA-N 2 0 373.519 0.527 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000516797556 490878577 /nfs/dbraw/zinc/87/85/77/490878577.db2.gz FVEAWTCZPHHQRX-HNNXBMFYSA-N 2 0 356.511 0.138 20 0 FCADRP COc1cc(C(N)=O)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516910729 490884556 /nfs/dbraw/zinc/88/45/56/490884556.db2.gz DSCDZONBAYQCLY-UHFFFAOYSA-N 2 0 351.451 0.751 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000516922619 490884912 /nfs/dbraw/zinc/88/49/12/490884912.db2.gz KEVYBVPLKYRQKW-ROUUACIJSA-N 2 0 352.523 0.366 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000516966749 490888134 /nfs/dbraw/zinc/88/81/34/490888134.db2.gz CAEAVZOCIKBNAQ-HNNXBMFYSA-N 2 0 350.467 0.261 20 0 FCADRP C[C@@H]1CN(C)CCN1C(=O)CCSCCC(=O)N1CCN(C)C[C@H]1C ZINC000517555843 490911314 /nfs/dbraw/zinc/91/13/14/490911314.db2.gz DXGISVWPZQHOFO-HZPDHXFCSA-N 2 0 370.563 0.825 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1cccc(F)c1 ZINC000517758657 490920239 /nfs/dbraw/zinc/92/02/39/490920239.db2.gz AYRQDMJWDOAYTI-OWCLPIDISA-N 2 0 363.437 0.382 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000531119220 490941700 /nfs/dbraw/zinc/94/17/00/490941700.db2.gz ZHPXRPYLJKMSPA-UHFFFAOYSA-N 2 0 370.457 0.741 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000543750915 490944795 /nfs/dbraw/zinc/94/47/95/490944795.db2.gz ILAZHLACKKYJGD-INIZCTEOSA-N 2 0 365.522 0.832 20 0 FCADRP Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189491 490945230 /nfs/dbraw/zinc/94/52/30/490945230.db2.gz GELNSVSYPGLTFI-INIZCTEOSA-N 2 0 363.510 0.826 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000531357549 490953445 /nfs/dbraw/zinc/95/34/45/490953445.db2.gz ZCANWJZJKSKQTK-UHFFFAOYSA-N 2 0 362.540 0.144 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000519369880 490970075 /nfs/dbraw/zinc/97/00/75/490970075.db2.gz GFEFYDHPNGYFIW-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000544668635 490975279 /nfs/dbraw/zinc/97/52/79/490975279.db2.gz WTRJLVFQMOTVDW-NVXWUHKLSA-N 2 0 367.538 0.946 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000519597138 490978417 /nfs/dbraw/zinc/97/84/17/490978417.db2.gz DVTOAEFOBWOSPH-SFHVURJKSA-N 2 0 358.486 0.886 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000519599963 490978483 /nfs/dbraw/zinc/97/84/83/490978483.db2.gz MRUWRHWARMPJCE-ZBFHGGJFSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000519599957 490978538 /nfs/dbraw/zinc/97/85/38/490978538.db2.gz MRUWRHWARMPJCE-GOEBONIOSA-N 2 0 354.495 0.093 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000519646900 490981603 /nfs/dbraw/zinc/98/16/03/490981603.db2.gz BMIRCRPZEOMFPT-NEPJUHHUSA-N 2 0 355.451 0.326 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569560107 491168277 /nfs/dbraw/zinc/16/82/77/491168277.db2.gz FVOOVEXDXZJJRO-JOCBIADPSA-N 2 0 374.485 0.198 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000554042691 491172910 /nfs/dbraw/zinc/17/29/10/491172910.db2.gz BYWRBUIBDSJSTC-ZJIFWQFVSA-N 2 0 354.495 0.201 20 0 FCADRP O=C(C[NH2+]CC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000565300980 491368464 /nfs/dbraw/zinc/36/84/64/491368464.db2.gz HYGHPBPPMZDELI-MRXNPFEDSA-N 2 0 374.489 0.398 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000673512511 493338068 /nfs/dbraw/zinc/33/80/68/493338068.db2.gz CVCOYKQPZCGXEB-SFFUCWETSA-N 2 0 353.507 0.788 20 0 FCADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CNCCO3)CC2)cc1 ZINC000572612675 491381527 /nfs/dbraw/zinc/38/15/27/491381527.db2.gz TWSBJZYQCWPNAH-INIZCTEOSA-N 2 0 353.488 0.726 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561013 491383316 /nfs/dbraw/zinc/38/33/16/491383316.db2.gz DNQPPJJBSLNGMW-GDBMZVCRSA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CCN1C ZINC000660281353 493339040 /nfs/dbraw/zinc/33/90/40/493339040.db2.gz XRIOPDTZOSFLPQ-HUUCEWRRSA-N 2 0 362.478 0.023 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000565773432 491398527 /nfs/dbraw/zinc/39/85/27/491398527.db2.gz YERISRRGLPWMSD-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885613 491399927 /nfs/dbraw/zinc/39/99/27/491399927.db2.gz HNXCETJMXGZLKP-MSOLQXFVSA-N 2 0 372.517 0.837 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000565827897 491401957 /nfs/dbraw/zinc/40/19/57/491401957.db2.gz ODYWVBPZXMYJHD-JKSUJKDBSA-N 2 0 354.495 0.143 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCC1CC[NH2+]CC1 ZINC000565941578 491408074 /nfs/dbraw/zinc/40/80/74/491408074.db2.gz UIOFYCFKXTVQRP-UHFFFAOYSA-N 2 0 358.486 0.667 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000573074873 491410784 /nfs/dbraw/zinc/41/07/84/491410784.db2.gz GOBNSRWCTWKXCG-UHFFFAOYSA-N 2 0 370.563 0.970 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573132129 491414989 /nfs/dbraw/zinc/41/49/89/491414989.db2.gz JHCKLDIBWYBRIU-IRXDYDNUSA-N 2 0 366.506 0.033 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc2c[nH]cn2)c1 ZINC000573387771 491430524 /nfs/dbraw/zinc/43/05/24/491430524.db2.gz ZMNJAEBYJZSOFO-UHFFFAOYSA-N 2 0 373.457 0.967 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000573429840 491432376 /nfs/dbraw/zinc/43/23/76/491432376.db2.gz IDAWKTXVNWXASQ-QGZVFWFLSA-N 2 0 362.474 0.530 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000573441285 491433234 /nfs/dbraw/zinc/43/32/34/491433234.db2.gz BQLWQVINKLZMAP-GOSISDBHSA-N 2 0 374.485 0.598 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCNc1cc[nH+]cc1 ZINC000566301378 491433924 /nfs/dbraw/zinc/43/39/24/491433924.db2.gz XRLPBTQJSMHBMK-IBGZPJMESA-N 2 0 364.453 0.846 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000573484561 491436512 /nfs/dbraw/zinc/43/65/12/491436512.db2.gz BKMRWRQVGHXRSP-UHFFFAOYSA-N 2 0 359.434 0.769 20 0 FCADRP C[C@H]([NH2+]CCC(=O)NC(N)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000573595339 491442939 /nfs/dbraw/zinc/44/29/39/491442939.db2.gz JPMIXNUCMLDTAD-LBPRGKRZSA-N 2 0 351.426 0.813 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495092 491448548 /nfs/dbraw/zinc/44/85/48/491448548.db2.gz COOIKVBYPBQRNU-FUHWJXTLSA-N 2 0 356.470 0.613 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496569 491448846 /nfs/dbraw/zinc/44/88/46/491448846.db2.gz SAUHAULPYJQSRS-OKZBNKHCSA-N 2 0 356.470 0.669 20 0 FCADRP COc1cnc(NCC[N@H+]2CC=CCC2)nc1NCC[NH+]1CC=CCC1 ZINC000558945612 491449471 /nfs/dbraw/zinc/44/94/71/491449471.db2.gz FVLUDEAPQJWKPK-UHFFFAOYSA-N 2 0 358.490 0.677 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000566589255 491454874 /nfs/dbraw/zinc/45/48/74/491454874.db2.gz PHVHURCGFWIEDI-OALUTQOASA-N 2 0 360.502 0.964 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573932095 491463979 /nfs/dbraw/zinc/46/39/79/491463979.db2.gz BWTSMMYWRJLQEQ-HOTGVXAUSA-N 2 0 368.547 0.660 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000566751480 491464653 /nfs/dbraw/zinc/46/46/53/491464653.db2.gz UBOMBHLHWLOLEN-BFYDXBDKSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000573952743 491464999 /nfs/dbraw/zinc/46/49/99/491464999.db2.gz PWEAVMRODCUVDG-ZACQAIPSSA-N 2 0 350.507 0.907 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752079 491465317 /nfs/dbraw/zinc/46/53/17/491465317.db2.gz ADCOYRQBDKHHDI-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCO1 ZINC000573994736 491468106 /nfs/dbraw/zinc/46/81/06/491468106.db2.gz YZTGSAFNPDRJLN-QGZVFWFLSA-N 3 0 357.543 0.622 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000559382655 491468945 /nfs/dbraw/zinc/46/89/45/491468945.db2.gz BBFTUZJIFFAUGQ-UHFFFAOYSA-N 2 0 356.511 0.404 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000559415452 491471174 /nfs/dbraw/zinc/47/11/74/491471174.db2.gz VXKRNHVSCSCWFH-CEXWTWQISA-N 2 0 372.513 0.828 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911778 491474467 /nfs/dbraw/zinc/47/44/67/491474467.db2.gz MXOOUNIQEKIFPA-GHTZIAJQSA-N 2 0 372.513 0.977 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000559464566 491475322 /nfs/dbraw/zinc/47/53/22/491475322.db2.gz FIJBPDDEWVXCHG-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574179958 491479480 /nfs/dbraw/zinc/47/94/80/491479480.db2.gz AIDAUNHAHAPEOM-CYJAXWMASA-N 2 0 350.507 0.681 20 0 FCADRP Cn1cc(-c2ncc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)cn2)cn1 ZINC000574194893 491480461 /nfs/dbraw/zinc/48/04/61/491480461.db2.gz UOVNNAYJZKFYQM-UHFFFAOYSA-N 2 0 371.489 0.767 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000567066073 491483807 /nfs/dbraw/zinc/48/38/07/491483807.db2.gz ZQENWEBZTWTQPZ-UHFFFAOYSA-N 2 0 356.511 0.404 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000574386427 491492451 /nfs/dbraw/zinc/49/24/51/491492451.db2.gz WEDYJXFZGXGEEN-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000567222565 491492551 /nfs/dbraw/zinc/49/25/51/491492551.db2.gz IDJXORKODDRZKE-UHFFFAOYSA-N 2 0 367.538 0.912 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000559792601 491499827 /nfs/dbraw/zinc/49/98/27/491499827.db2.gz MGHZACFVKHCFMG-QGZVFWFLSA-N 2 0 367.538 0.119 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)[C@@H]2C1 ZINC000574505648 491501220 /nfs/dbraw/zinc/50/12/20/491501220.db2.gz PMFKYBDVAYIJDR-GOEBONIOSA-N 2 0 359.474 0.431 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000574533834 491503386 /nfs/dbraw/zinc/50/33/86/491503386.db2.gz QSSAGSHXGVZKDY-UHFFFAOYSA-N 2 0 363.462 0.713 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000559905506 491509342 /nfs/dbraw/zinc/50/93/42/491509342.db2.gz VUEBJROTBZXYPL-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559906967 491509483 /nfs/dbraw/zinc/50/94/83/491509483.db2.gz KAZMPBGAPSOXRL-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCc2occc21 ZINC000559905747 491509570 /nfs/dbraw/zinc/50/95/70/491509570.db2.gz ZMTDNFCGCFLJHU-OAHLLOKOSA-N 2 0 350.463 0.725 20 0 FCADRP O=C(C[NH2+]CC1CC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000574635585 491510173 /nfs/dbraw/zinc/51/01/73/491510173.db2.gz PNISBLXRFJRLNW-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560022233 491515447 /nfs/dbraw/zinc/51/54/47/491515447.db2.gz VEZXLHYFNYDNMV-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000574792636 491520615 /nfs/dbraw/zinc/52/06/15/491520615.db2.gz BNJYEMSRZSUCLO-RDTXWAMCSA-N 2 0 356.511 0.258 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000574806684 491521070 /nfs/dbraw/zinc/52/10/70/491521070.db2.gz KZZYOSKDNYBXPE-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000574880389 491525452 /nfs/dbraw/zinc/52/54/52/491525452.db2.gz FYDSOFHNDFGLSY-UHFFFAOYSA-N 2 0 365.522 0.810 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567754344 491527430 /nfs/dbraw/zinc/52/74/30/491527430.db2.gz IGSIBLIRIYJTFV-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000567763491 491527777 /nfs/dbraw/zinc/52/77/77/491527777.db2.gz BOXAXRXIXULQFT-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583033 493348608 /nfs/dbraw/zinc/34/86/08/493348608.db2.gz KMOIVCGKNIUJDM-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000574939198 491529005 /nfs/dbraw/zinc/52/90/05/491529005.db2.gz GGWLXINZXMTPFR-DUVNUKRYSA-N 2 0 359.474 0.784 20 0 FCADRP COC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000567802023 491530882 /nfs/dbraw/zinc/53/08/82/491530882.db2.gz PKXHRDYBAVLIHE-INIZCTEOSA-N 2 0 354.882 0.942 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981665 491531227 /nfs/dbraw/zinc/53/12/27/491531227.db2.gz YSUAGEOGXLKQGO-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575028339 491534443 /nfs/dbraw/zinc/53/44/43/491534443.db2.gz KHSIVFZCFSODPH-LSDHHAIUSA-N 2 0 352.866 0.879 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000575052582 491535954 /nfs/dbraw/zinc/53/59/54/491535954.db2.gz CCMFNXFAQGIEDU-RDJZCZTQSA-N 2 0 352.479 0.335 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567982566 491544723 /nfs/dbraw/zinc/54/47/23/491544723.db2.gz BGUBVDHICUXVLA-MJGOQNOKSA-N 2 0 352.523 0.759 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000560664164 491551008 /nfs/dbraw/zinc/55/10/08/491551008.db2.gz YNRZQYUROHESOG-HHXXYDBFSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568232775 491561790 /nfs/dbraw/zinc/56/17/90/491561790.db2.gz FQVZTWKZZXLTTB-UHFFFAOYSA-N 2 0 365.453 0.331 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000560892671 491562639 /nfs/dbraw/zinc/56/26/39/491562639.db2.gz XMKJGZAXGQXJCK-UHFFFAOYSA-N 2 0 368.522 0.596 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000575820484 491563349 /nfs/dbraw/zinc/56/33/49/491563349.db2.gz BVGVZORJGOYAEZ-IXDOHACOSA-N 2 0 366.506 0.347 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000560899519 491563725 /nfs/dbraw/zinc/56/37/25/491563725.db2.gz NLKYTNIMXOEHLU-KRWDZBQOSA-N 2 0 368.522 0.405 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568286850 491566881 /nfs/dbraw/zinc/56/68/81/491566881.db2.gz IEOYATNYSKGFDT-ROUUACIJSA-N 2 0 373.501 0.982 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000561013803 491570279 /nfs/dbraw/zinc/57/02/79/491570279.db2.gz BGNDOKAKAOLATO-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000575938806 491571979 /nfs/dbraw/zinc/57/19/79/491571979.db2.gz BTFBXRQYNWQBEC-UHFFFAOYSA-N 2 0 356.511 0.452 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000568373626 491572218 /nfs/dbraw/zinc/57/22/18/491572218.db2.gz PTEYFIGJBJIKJW-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000576003959 491575377 /nfs/dbraw/zinc/57/53/77/491575377.db2.gz JESYUGXZQQHIKT-IBGZPJMESA-N 2 0 372.513 0.878 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000561121470 491576596 /nfs/dbraw/zinc/57/65/96/491576596.db2.gz MYDLNUBLDIHZLX-NVXWUHKLSA-N 2 0 366.506 0.347 20 0 FCADRP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568501510 491580689 /nfs/dbraw/zinc/58/06/89/491580689.db2.gz PBNBKMJSSDLTEI-WMLDXEAASA-N 2 0 358.442 0.938 20 0 FCADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000561203713 491582341 /nfs/dbraw/zinc/58/23/41/491582341.db2.gz LGAAFZJNYDPNBR-INIZCTEOSA-N 2 0 363.462 0.029 20 0 FCADRP O=C(NCCN1CC[NH+](CCN2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000584412157 491588670 /nfs/dbraw/zinc/58/86/70/491588670.db2.gz LQGIXOAUWLTWJH-UHFFFAOYSA-N 2 0 363.481 0.078 20 0 FCADRP C[C@@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000577164136 491596829 /nfs/dbraw/zinc/59/68/29/491596829.db2.gz NTRPAVJRBDNFCI-DOTOQJQBSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000584524513 491600021 /nfs/dbraw/zinc/60/00/21/491600021.db2.gz JFWGSMXFLJKPBG-OGWHTMIXSA-N 2 0 370.497 0.928 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000577218835 491603779 /nfs/dbraw/zinc/60/37/79/491603779.db2.gz LAIOKZGSKAJVJF-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000568745670 491605478 /nfs/dbraw/zinc/60/54/78/491605478.db2.gz YUUNXOXHHRHSOZ-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238523 491605864 /nfs/dbraw/zinc/60/58/64/491605864.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 2 0 367.538 0.070 20 0 FCADRP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000561425492 491607060 /nfs/dbraw/zinc/60/70/60/491607060.db2.gz NFKIZFPSYQRKFZ-UHFFFAOYSA-N 2 0 368.522 0.282 20 0 FCADRP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000568802304 491610929 /nfs/dbraw/zinc/61/09/29/491610929.db2.gz LODBNMMAIKMHIM-GJZGRUSLSA-N 2 0 350.507 0.942 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)C1 ZINC000568841794 491612936 /nfs/dbraw/zinc/61/29/36/491612936.db2.gz SGDRWUZIDRMAQD-XWTMOSNGSA-N 2 0 353.507 0.552 20 0 FCADRP N[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000576461673 491617113 /nfs/dbraw/zinc/61/71/13/491617113.db2.gz FFZPUJPJLPAVFY-INIZCTEOSA-N 2 0 360.487 0.866 20 0 FCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576468440 491617302 /nfs/dbraw/zinc/61/73/02/491617302.db2.gz DZPHUFJOADXPJA-IRXDYDNUSA-N 2 0 360.506 0.883 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000576513713 491621158 /nfs/dbraw/zinc/62/11/58/491621158.db2.gz CAPAMRLAZTYGQV-OALUTQOASA-N 2 0 360.502 0.860 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000577421710 491621238 /nfs/dbraw/zinc/62/12/38/491621238.db2.gz JEVWRVUOWZEBKQ-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000561685770 491625248 /nfs/dbraw/zinc/62/52/48/491625248.db2.gz FFOSZVGRUBNQDS-MRXNPFEDSA-N 2 0 356.511 0.260 20 0 FCADRP C[N@@H+]1CCCN(CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356003 /nfs/dbraw/zinc/35/60/03/493356003.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 0 374.529 0.767 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562972 491632494 /nfs/dbraw/zinc/63/24/94/491632494.db2.gz YPQHYTMRMSVGBP-YOEHRIQHSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562970 491632843 /nfs/dbraw/zinc/63/28/43/491632843.db2.gz YPQHYTMRMSVGBP-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000576654471 491633595 /nfs/dbraw/zinc/63/35/95/491633595.db2.gz NPWXRPJRDBTDON-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000561897245 491638459 /nfs/dbraw/zinc/63/84/59/491638459.db2.gz TVUNDNGAXNPYRN-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000561897246 491638940 /nfs/dbraw/zinc/63/89/40/491638940.db2.gz TVUNDNGAXNPYRN-PVAVHDDUSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000577725342 491645587 /nfs/dbraw/zinc/64/55/87/491645587.db2.gz NDOXYQXJMDIWLR-VVLHAWIVSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000562001785 491646853 /nfs/dbraw/zinc/64/68/53/491646853.db2.gz PVBBCHSPRSCECH-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000569264351 491647789 /nfs/dbraw/zinc/64/77/89/491647789.db2.gz GMOAIVFKJXRATO-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)cc1 ZINC000569336293 491652934 /nfs/dbraw/zinc/65/29/34/491652934.db2.gz OOIKVZMOLBTFOC-BMFZPTHFSA-N 2 0 364.877 0.879 20 0 FCADRP CN1C[C@H]([NH+](C)CCOCC[N@@H+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886627 491654520 /nfs/dbraw/zinc/65/45/20/491654520.db2.gz ZLSHKHGDALONDQ-IYBDPMFKSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCCO1 ZINC000577840060 491655297 /nfs/dbraw/zinc/65/52/97/491655297.db2.gz FPJAZOGTZQVWOY-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000562182182 491657694 /nfs/dbraw/zinc/65/76/94/491657694.db2.gz NBWKOTKEVIFEJR-MRXNPFEDSA-N 2 0 354.495 0.063 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C2)C1 ZINC000569427282 491660793 /nfs/dbraw/zinc/66/07/93/491660793.db2.gz YRJVHJGWHDZGEY-LJQANCHMSA-N 2 0 365.522 0.716 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576987029 491662596 /nfs/dbraw/zinc/66/25/96/491662596.db2.gz STJLCKNYAKUFIJ-RBUKOAKNSA-N 2 0 357.502 0.800 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)NC1C[NH2+]C1 ZINC000577942962 491664303 /nfs/dbraw/zinc/66/43/03/491664303.db2.gz XGIPEUABTHUPKB-UHFFFAOYSA-N 2 0 364.877 0.756 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569472144 491664834 /nfs/dbraw/zinc/66/48/34/491664834.db2.gz GNSUTALWUFPLPN-QZTJIDSGSA-N 2 0 358.486 0.630 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000578121630 491670258 /nfs/dbraw/zinc/67/02/58/491670258.db2.gz ZMDBUEPUCVBIEJ-GOSISDBHSA-N 2 0 363.481 0.993 20 0 FCADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000578551893 491679824 /nfs/dbraw/zinc/67/98/24/491679824.db2.gz MGZRRVZSKYZAHE-INIZCTEOSA-N 2 0 361.490 0.121 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000578572436 491680081 /nfs/dbraw/zinc/68/00/81/491680081.db2.gz LIYWLAQMLURIAT-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CNC(=O)C[NH3+] ZINC000578624740 491681019 /nfs/dbraw/zinc/68/10/19/491681019.db2.gz QLVWMWBSRXDVCQ-MRXNPFEDSA-N 2 0 370.457 0.652 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000578846206 491685563 /nfs/dbraw/zinc/68/55/63/491685563.db2.gz DRBMRCBYKVVHRP-MRXNPFEDSA-N 2 0 374.485 0.480 20 0 FCADRP CC(=O)N[C@H](C)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000579060487 491690001 /nfs/dbraw/zinc/69/00/01/491690001.db2.gz GIPVERJXRZGMBX-CZUORRHYSA-N 2 0 352.479 0.302 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000579092124 491690705 /nfs/dbraw/zinc/69/07/05/491690705.db2.gz SIZDAXBDPGISQY-OAHLLOKOSA-N 2 0 354.495 0.202 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000579105510 491691057 /nfs/dbraw/zinc/69/10/57/491691057.db2.gz BYEDZKKTIJGNPC-UHFFFAOYSA-N 2 0 352.483 0.636 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000579231515 491693547 /nfs/dbraw/zinc/69/35/47/491693547.db2.gz JAUFKRYRHHSMSI-LJQANCHMSA-N 3 0 365.566 0.546 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254191 491694093 /nfs/dbraw/zinc/69/40/93/491694093.db2.gz AKLAGMKDFIASLN-CABCVRRESA-N 2 0 355.483 0.597 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000579265572 491694376 /nfs/dbraw/zinc/69/43/76/491694376.db2.gz DIYBJCRJCASCFH-IXDOHACOSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccco1 ZINC000579333615 491695595 /nfs/dbraw/zinc/69/55/95/491695595.db2.gz QSUTZTCUYYQSBQ-CABCVRRESA-N 2 0 350.463 0.976 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579700055 491703153 /nfs/dbraw/zinc/70/31/53/491703153.db2.gz LOPWFJALXSTXKN-UIBIWLFHSA-N 2 0 360.502 0.530 20 0 FCADRP Cn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000579709771 491703424 /nfs/dbraw/zinc/70/34/24/491703424.db2.gz GNXPZNQAXKLDJG-UHFFFAOYSA-N 2 0 371.441 0.209 20 0 FCADRP Cc1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)nnn1C1CC[NH2+]CC1 ZINC000584589440 491708664 /nfs/dbraw/zinc/70/86/64/491708664.db2.gz RBQZNWPKYPTRHD-INIZCTEOSA-N 2 0 364.494 0.694 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930079 491709346 /nfs/dbraw/zinc/70/93/46/491709346.db2.gz QESNOVPJNGBRCZ-WMZOPIPTSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000584781364 491714214 /nfs/dbraw/zinc/71/42/14/491714214.db2.gz LYJCTPZDLRFISZ-BQFCYCMXSA-N 2 0 360.502 0.909 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000580062312 491715363 /nfs/dbraw/zinc/71/53/63/491715363.db2.gz DOAWSAKRIVZLTL-SJORKVTESA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000580070831 491715975 /nfs/dbraw/zinc/71/59/75/491715975.db2.gz AZWFRXDVVDBTPS-AWEZNQCLSA-N 2 0 359.396 0.781 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000580075076 491716163 /nfs/dbraw/zinc/71/61/63/491716163.db2.gz UEEYQWWQRYDRRN-KBPBESRZSA-N 2 0 350.463 0.485 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580073711 491716240 /nfs/dbraw/zinc/71/62/40/491716240.db2.gz PSWQPNYEYYPDKC-GJZGRUSLSA-N 2 0 355.508 0.434 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000580104503 491717642 /nfs/dbraw/zinc/71/76/42/491717642.db2.gz USXCLTNNWLLXSC-UHFFFAOYSA-N 2 0 356.511 0.450 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000580114833 491718367 /nfs/dbraw/zinc/71/83/67/491718367.db2.gz JWWAULWORSPBBM-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[NH2+]CC2)CC1 ZINC000580173153 491720246 /nfs/dbraw/zinc/72/02/46/491720246.db2.gz JBVYTZIEQNPDTQ-UHFFFAOYSA-N 2 0 353.511 0.618 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1=O ZINC000580316064 491725698 /nfs/dbraw/zinc/72/56/98/491725698.db2.gz ULTBTIJVGAOUCR-VQHPVUNQSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580414413 491730215 /nfs/dbraw/zinc/73/02/15/491730215.db2.gz SSQMIMDIULFRAF-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580484585 491733264 /nfs/dbraw/zinc/73/32/64/491733264.db2.gz SYQDUYLIHUNFKQ-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000580538437 491734917 /nfs/dbraw/zinc/73/49/17/491734917.db2.gz HFYRFJSLTAIHAC-OCCSQVGLSA-N 2 0 350.488 0.820 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000580541335 491735198 /nfs/dbraw/zinc/73/51/98/491735198.db2.gz JBSFDQKPNAISGG-LSDHHAIUSA-N 2 0 368.547 0.673 20 0 FCADRP C[N@H+](C[C@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889305 491750301 /nfs/dbraw/zinc/75/03/01/491750301.db2.gz WNSSGHWRAONNKN-HXUWFJFHSA-N 3 0 374.529 0.929 20 0 FCADRP CN(c1ccccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618670 491780209 /nfs/dbraw/zinc/78/02/09/491780209.db2.gz KOYKTDHBHZBAMD-RTBURBONSA-N 2 0 371.529 0.961 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000581717135 491783742 /nfs/dbraw/zinc/78/37/42/491783742.db2.gz YNWZDUKQKBPKKF-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582122840 491798763 /nfs/dbraw/zinc/79/87/63/491798763.db2.gz GOBRPKBXEBUKSA-IRXDYDNUSA-N 2 0 374.485 0.488 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000591337991 491803303 /nfs/dbraw/zinc/80/33/03/491803303.db2.gz BXOSCCVGXCVAMB-CYBMUJFWSA-N 2 0 352.439 0.013 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCCC1 ZINC000582523024 491816116 /nfs/dbraw/zinc/81/61/16/491816116.db2.gz DKCLTGLFWBVXNX-AWEZNQCLSA-N 2 0 362.478 0.689 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CCN2C1=O ZINC000582555951 491817554 /nfs/dbraw/zinc/81/75/54/491817554.db2.gz AAAFHIQYVMDQKT-DLBZAZTESA-N 2 0 351.410 0.631 20 0 FCADRP C[NH+]1CC[C@@H](C(=O)N[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)Cc2ccccc2)C1 ZINC000582681550 491822484 /nfs/dbraw/zinc/82/24/84/491822484.db2.gz AYCDAYGQZAASJW-OTWHNJEPSA-N 2 0 372.513 0.734 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000582724545 491823936 /nfs/dbraw/zinc/82/39/36/491823936.db2.gz ZQOXPKZKFXYNLR-OAQYLSRUSA-N 2 0 372.513 0.930 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000582779605 491826269 /nfs/dbraw/zinc/82/62/69/491826269.db2.gz DNJRJBAWFXYZSY-WNRNVDISSA-N 2 0 356.470 0.492 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000582978894 491835027 /nfs/dbraw/zinc/83/50/27/491835027.db2.gz YBLYMKWPHYGJNC-KRWDZBQOSA-N 2 0 370.538 0.839 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991075 491835554 /nfs/dbraw/zinc/83/55/54/491835554.db2.gz XLSHOIYZHTZLKI-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434841 491844824 /nfs/dbraw/zinc/84/48/24/491844824.db2.gz GHNRWGJPFWTTNH-FXAWDEMLSA-N 2 0 362.518 0.921 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000583629899 491848910 /nfs/dbraw/zinc/84/89/10/491848910.db2.gz RKRNCDRPXCWYDJ-HOTGVXAUSA-N 2 0 362.478 0.267 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)ccn2)CC1 ZINC000583640518 491849229 /nfs/dbraw/zinc/84/92/29/491849229.db2.gz NBFMLUGSCUYNDV-IBGZPJMESA-N 2 0 359.474 0.020 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583742774 491851030 /nfs/dbraw/zinc/85/10/30/491851030.db2.gz CYQWQOSXVPYFFV-OWCLPIDISA-N 2 0 351.495 0.357 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC000583762213 491851625 /nfs/dbraw/zinc/85/16/25/491851625.db2.gz NPMSGJCLCRWNPM-KRWDZBQOSA-N 2 0 362.522 0.685 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850460 491853258 /nfs/dbraw/zinc/85/32/58/491853258.db2.gz MWTXLVWGYVKXFR-HIFRSBDPSA-N 2 0 359.492 0.266 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000583897950 491854417 /nfs/dbraw/zinc/85/44/17/491854417.db2.gz TUOPTAJAVCRRRS-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC000584226071 491861093 /nfs/dbraw/zinc/86/10/93/491861093.db2.gz HMMAHTCVSHWYOO-CEXWTWQISA-N 2 0 370.497 0.917 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257564 491861833 /nfs/dbraw/zinc/86/18/33/491861833.db2.gz YMUREDJEWZQARK-KLHDSHLOSA-N 2 0 350.507 0.964 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584281767 491862036 /nfs/dbraw/zinc/86/20/36/491862036.db2.gz HGUQHFVSHZMXIG-CALCHBBNSA-N 2 0 362.518 0.969 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCSC1 ZINC000584358482 491863791 /nfs/dbraw/zinc/86/37/91/491863791.db2.gz VKKYJJVUDAFAPN-GOSISDBHSA-N 2 0 370.563 0.965 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000611651035 491865710 /nfs/dbraw/zinc/86/57/10/491865710.db2.gz UASRGAVNSSLQAY-YQQAZPJKSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000611757684 491872510 /nfs/dbraw/zinc/87/25/10/491872510.db2.gz HBYLEHBBGAFOCW-OAHLLOKOSA-N 2 0 362.518 0.991 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000601339696 491905518 /nfs/dbraw/zinc/90/55/18/491905518.db2.gz GGXRXGWPIWVHSJ-QGZVFWFLSA-N 2 0 358.552 0.514 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(F)(F)F)[NH+](C)C ZINC000612464702 491921838 /nfs/dbraw/zinc/92/18/38/491921838.db2.gz MYXVMQCAOYVENM-GRYCIOLGSA-N 2 0 354.417 0.830 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000612484908 491924404 /nfs/dbraw/zinc/92/44/04/491924404.db2.gz IWTLPZINENYPAX-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000612544624 491931421 /nfs/dbraw/zinc/93/14/21/491931421.db2.gz FQQWWGGQNHARPP-HNNXBMFYSA-N 2 0 350.463 0.770 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612593143 491936273 /nfs/dbraw/zinc/93/62/73/491936273.db2.gz YBOQVZJTXLARAY-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612595706 491936668 /nfs/dbraw/zinc/93/66/68/491936668.db2.gz KCWGLLMPZMMOBM-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612599188 491937999 /nfs/dbraw/zinc/93/79/99/491937999.db2.gz QRGZDZDRQIPJOE-KRWDZBQOSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612603753 491938331 /nfs/dbraw/zinc/93/83/31/491938331.db2.gz LLGLKADVQMRTQU-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612893213 491957329 /nfs/dbraw/zinc/95/73/29/491957329.db2.gz SPEDKDGVRNIHBD-GOSISDBHSA-N 2 0 353.511 0.664 20 0 FCADRP COC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)n1C ZINC000602021483 491957432 /nfs/dbraw/zinc/95/74/32/491957432.db2.gz VHUPUPUTORXZJA-UHFFFAOYSA-N 2 0 364.490 0.698 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000595893123 491959871 /nfs/dbraw/zinc/95/98/71/491959871.db2.gz POKMZVYRMYTFPA-HLLBOEOZSA-N 2 0 353.463 0.369 20 0 FCADRP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896745 491960034 /nfs/dbraw/zinc/96/00/34/491960034.db2.gz WYCIKPJPXWRKRS-YHUYYLMFSA-N 2 0 353.463 0.369 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506786 491990202 /nfs/dbraw/zinc/99/02/02/491990202.db2.gz PKKWJWROHMUDCQ-MJGOQNOKSA-N 2 0 360.502 0.803 20 0 FCADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668227 492067689 /nfs/dbraw/zinc/06/76/89/492067689.db2.gz VQSKZSQOGRXPLZ-ZWKOTPCHSA-N 2 0 365.522 0.176 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668150 492067991 /nfs/dbraw/zinc/06/79/91/492067991.db2.gz SWUUBRYRNZOAPT-MSOLQXFVSA-N 2 0 367.538 0.565 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274046 492083698 /nfs/dbraw/zinc/08/36/98/492083698.db2.gz KHDNRVGSQRVJEZ-HXUWFJFHSA-N 2 0 371.529 0.999 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000605884704 492104941 /nfs/dbraw/zinc/10/49/41/492104941.db2.gz UAYCHWUWODHFIN-ZBFHGGJFSA-N 2 0 351.495 0.642 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633827 492125303 /nfs/dbraw/zinc/12/53/03/492125303.db2.gz WMWLPQNTXPGUQO-IRXDYDNUSA-N 2 0 355.527 0.278 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000606653366 492125425 /nfs/dbraw/zinc/12/54/25/492125425.db2.gz RBBXZGUPIXBGFQ-YYIAUSFCSA-N 2 0 367.538 0.992 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000606684776 492126294 /nfs/dbraw/zinc/12/62/94/492126294.db2.gz MZWJEPJJEYAICL-KRWDZBQOSA-N 2 0 367.538 0.911 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000606663301 492126356 /nfs/dbraw/zinc/12/63/56/492126356.db2.gz MRGBCYHEZBYDSK-MRXNPFEDSA-N 2 0 353.511 0.747 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000607689505 492149113 /nfs/dbraw/zinc/14/91/13/492149113.db2.gz ATTGOOUIYYTXON-VVLHAWIVSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000607689507 492149173 /nfs/dbraw/zinc/14/91/73/492149173.db2.gz ATTGOOUIYYTXON-YLFCFFPRSA-N 2 0 350.507 0.918 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000608690671 492187366 /nfs/dbraw/zinc/18/73/66/492187366.db2.gz DQYIQAXKTJEUCK-IAGOWNOFSA-N 2 0 365.522 0.844 20 0 FCADRP C[C@@H](CCNC(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)[nH]n1)[NH+](C)C ZINC000617761463 492189693 /nfs/dbraw/zinc/18/96/93/492189693.db2.gz UOUMMYPFTZNQSZ-STQMWFEESA-N 2 0 352.483 0.550 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000609487732 492209702 /nfs/dbraw/zinc/20/97/02/492209702.db2.gz DIAHHSXHSSVTER-HOTGVXAUSA-N 2 0 369.506 0.829 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000610250147 492239046 /nfs/dbraw/zinc/23/90/46/492239046.db2.gz BKFYHWFHIMRKPQ-ZGXWSNOMSA-N 2 0 368.566 0.557 20 0 FCADRP CN(CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000619324317 492260703 /nfs/dbraw/zinc/26/07/03/492260703.db2.gz JUOVPGYNIQVTNK-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000611181119 492280734 /nfs/dbraw/zinc/28/07/34/492280734.db2.gz KOXGHFUTXOJBMM-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000627461546 492305558 /nfs/dbraw/zinc/30/55/58/492305558.db2.gz SPJHWFVJRSEFCC-RYQLBKOJSA-N 2 0 358.486 0.976 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000654450174 492305692 /nfs/dbraw/zinc/30/56/92/492305692.db2.gz DCRJCZKXNPRSLO-ZACQAIPSSA-N 2 0 365.522 0.890 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469229 492308064 /nfs/dbraw/zinc/30/80/64/492308064.db2.gz OLZBWZXGHJEQBA-ROUUACIJSA-N 2 0 374.485 0.072 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469230 492308095 /nfs/dbraw/zinc/30/80/95/492308095.db2.gz OLZBWZXGHJEQBA-ZWKOTPCHSA-N 2 0 374.485 0.072 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000641824975 492310448 /nfs/dbraw/zinc/31/04/48/492310448.db2.gz OYVLXERVQCKSQZ-RYUDHWBXSA-N 2 0 364.412 0.525 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000627474487 492312914 /nfs/dbraw/zinc/31/29/14/492312914.db2.gz PEWDEBYFSPYGKQ-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485723 492314214 /nfs/dbraw/zinc/31/42/14/492314214.db2.gz WSKHXFMSLKWQME-PZJWPPBQSA-N 2 0 373.497 0.681 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)n1 ZINC000634195359 492325579 /nfs/dbraw/zinc/32/55/79/492325579.db2.gz YIAPVBHQQVJTJE-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202088 492326164 /nfs/dbraw/zinc/32/61/64/492326164.db2.gz DOVHDKVSJHXZJK-IAGOWNOFSA-N 2 0 355.527 0.421 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[NH+](C)C)cc1 ZINC000642047391 492329332 /nfs/dbraw/zinc/32/93/32/492329332.db2.gz ITVRCWZJYFJIBX-SZMVWBNQSA-N 2 0 358.486 0.924 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000647595271 492331194 /nfs/dbraw/zinc/33/11/94/492331194.db2.gz YYYACPOJVZCTIN-ZIAGYGMSSA-N 2 0 356.536 0.706 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596995 492332376 /nfs/dbraw/zinc/33/23/76/492332376.db2.gz CINCZCYTBVBALW-UOVPBQLFSA-N 2 0 358.486 0.819 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)[NH+](C)C)c1 ZINC000642096123 492333677 /nfs/dbraw/zinc/33/36/77/492333677.db2.gz CCRDDNSMBXYPHF-INIZCTEOSA-N 2 0 362.474 0.754 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]1 ZINC000642094911 492334000 /nfs/dbraw/zinc/33/40/00/492334000.db2.gz QTQDAPQYGKYVIL-ZWKOTPCHSA-N 2 0 360.502 0.732 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642101819 492335250 /nfs/dbraw/zinc/33/52/50/492335250.db2.gz SXIQJDRIOVCLHB-RCCFBDPRSA-N 2 0 356.470 0.588 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000642102259 492335264 /nfs/dbraw/zinc/33/52/64/492335264.db2.gz XPQLMPGITKJSAP-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642119462 492336714 /nfs/dbraw/zinc/33/67/14/492336714.db2.gz RPCWAYJGDJTONB-XHSDSOJGSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195157 492340274 /nfs/dbraw/zinc/34/02/74/492340274.db2.gz ABKGYEUHCLSXGB-QKPAOTATSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000642220568 492342290 /nfs/dbraw/zinc/34/22/90/492342290.db2.gz NMFHBQIGPDDQPY-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000642220570 492342766 /nfs/dbraw/zinc/34/27/66/492342766.db2.gz NMFHBQIGPDDQPY-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)([NH+](C)C)C1 ZINC000642236393 492343176 /nfs/dbraw/zinc/34/31/76/492343176.db2.gz GASRDVJILFPEDZ-TVEAVKIZSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000642236403 492343422 /nfs/dbraw/zinc/34/34/22/492343422.db2.gz KYASBULBGXKTNI-ADAWSYLGSA-N 2 0 354.495 0.188 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642253934 492345854 /nfs/dbraw/zinc/34/58/54/492345854.db2.gz RGYFVILNFDCELN-ZWKOTPCHSA-N 2 0 374.485 0.119 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccco1 ZINC000642255334 492345925 /nfs/dbraw/zinc/34/59/25/492345925.db2.gz ORQHYGHTZJBMQD-HRCADAONSA-N 2 0 362.474 0.989 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654758043 492347057 /nfs/dbraw/zinc/34/70/57/492347057.db2.gz OILNFJGSYGRQAV-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654773603 492349641 /nfs/dbraw/zinc/34/96/41/492349641.db2.gz DZQKPBQGUDJCFW-KRWDZBQOSA-N 2 0 362.522 0.685 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000642540795 492362827 /nfs/dbraw/zinc/36/28/27/492362827.db2.gz OBMNMBSEDYNBIP-CQSZACIVSA-N 2 0 364.515 0.945 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642640152 492367989 /nfs/dbraw/zinc/36/79/89/492367989.db2.gz AULBWZQXZQWDIO-BRWVUGGUSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640963 492369038 /nfs/dbraw/zinc/36/90/38/492369038.db2.gz SGZCAMBSGSIKRG-RCCFBDPRSA-N 2 0 358.486 0.739 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640735 492369262 /nfs/dbraw/zinc/36/92/62/492369262.db2.gz PTFSXPVUZWAJAL-KZNAEPCWSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640961 492369299 /nfs/dbraw/zinc/36/92/99/492369299.db2.gz SGZCAMBSGSIKRG-KZNAEPCWSA-N 2 0 358.486 0.739 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000642685601 492372624 /nfs/dbraw/zinc/37/26/24/492372624.db2.gz PRMAJQAPSCHWLJ-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642686016 492373207 /nfs/dbraw/zinc/37/32/07/492373207.db2.gz BUIDVDYOXPDGHU-FUHWJXTLSA-N 2 0 374.485 0.454 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(F)cc1 ZINC000642731733 492381510 /nfs/dbraw/zinc/38/15/10/492381510.db2.gz XIECXXCMOBFYTB-RRQGHBQHSA-N 2 0 362.449 0.755 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729087 492381565 /nfs/dbraw/zinc/38/15/65/492381565.db2.gz DIUOYKZOJSIMRW-WBVHZDCISA-N 2 0 358.486 0.881 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000642732686 492382449 /nfs/dbraw/zinc/38/24/49/492382449.db2.gz QAQNWAGVOLWBRY-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCCCC1 ZINC000642732687 492382539 /nfs/dbraw/zinc/38/25/39/492382539.db2.gz QAQNWAGVOLWBRY-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642733045 492382906 /nfs/dbraw/zinc/38/29/06/492382906.db2.gz TTYPVGDNZMHVOT-MAUKXSAKSA-N 2 0 374.485 0.126 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642733044 492383075 /nfs/dbraw/zinc/38/30/75/492383075.db2.gz TTYPVGDNZMHVOT-CRAIPNDOSA-N 2 0 374.485 0.126 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000654947960 492384118 /nfs/dbraw/zinc/38/41/18/492384118.db2.gz XDHIXLRJUIBUCS-CABCVRRESA-N 2 0 362.478 0.516 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000642750489 492384288 /nfs/dbraw/zinc/38/42/88/492384288.db2.gz FODMATWKRAWVJN-OWCLPIDISA-N 2 0 354.495 0.332 20 0 FCADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937831 492386085 /nfs/dbraw/zinc/38/60/85/492386085.db2.gz CSUOZRICIRSFHW-IUODEOHRSA-N 2 0 354.476 0.722 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642759550 492386701 /nfs/dbraw/zinc/38/67/01/492386701.db2.gz OLTITRPAYABPDB-BVBHFADKSA-N 2 0 370.497 0.834 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cn2)CC1 ZINC000635099834 492392737 /nfs/dbraw/zinc/39/27/37/492392737.db2.gz OKYYSIVRJGXJTB-RHSMWYFYSA-N 2 0 374.489 0.641 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000642793723 492393612 /nfs/dbraw/zinc/39/36/12/492393612.db2.gz RKEGHLUXSMPXTC-HNNXBMFYSA-N 2 0 352.479 0.006 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642801820 492395827 /nfs/dbraw/zinc/39/58/27/492395827.db2.gz KPAVGCJTSCSSGH-IEBWSBKVSA-N 2 0 370.497 0.978 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000642894160 492398283 /nfs/dbraw/zinc/39/82/83/492398283.db2.gz YKMVWBUMOIWVRO-UHFFFAOYSA-N 2 0 358.486 0.898 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642908240 492401694 /nfs/dbraw/zinc/40/16/94/492401694.db2.gz MEIHWTYYWFOAPL-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000642914702 492403193 /nfs/dbraw/zinc/40/31/93/492403193.db2.gz HZJBUGSYLIOLTM-SFHVURJKSA-N 2 0 358.486 0.898 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918791 492404195 /nfs/dbraw/zinc/40/41/95/492404195.db2.gz CHYRTRZWFKBBEU-KRWDZBQOSA-N 2 0 358.486 0.835 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642940941 492405757 /nfs/dbraw/zinc/40/57/57/492405757.db2.gz NBAVKLZZMUAVIG-DOTOQJQBSA-N 2 0 367.538 0.103 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973553 492409422 /nfs/dbraw/zinc/40/94/22/492409422.db2.gz DNJOFGKGVIVGPT-KNBMTAEXSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973554 492409587 /nfs/dbraw/zinc/40/95/87/492409587.db2.gz DNJOFGKGVIVGPT-MDYRTPRTSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984286 492410894 /nfs/dbraw/zinc/41/08/94/492410894.db2.gz BXICLCQMLURPPB-NXHRZFHOSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642983145 492411324 /nfs/dbraw/zinc/41/13/24/492411324.db2.gz WQQVKZJZMQPYSH-UHFFFAOYSA-N 2 0 365.437 0.650 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643003996 492412441 /nfs/dbraw/zinc/41/24/41/492412441.db2.gz HPPFISJVHZLRBJ-ZWKOTPCHSA-N 2 0 374.485 0.214 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642991945 492412948 /nfs/dbraw/zinc/41/29/48/492412948.db2.gz CFSCTDQCTCWOAB-KRWDZBQOSA-N 2 0 362.474 0.072 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621837878 492421275 /nfs/dbraw/zinc/42/12/75/492421275.db2.gz SLMVUBPBQXLZRN-ZWOKBUDYSA-N 2 0 356.470 0.717 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621841268 492423095 /nfs/dbraw/zinc/42/30/95/492423095.db2.gz SPQRWMWHBXAGLC-UZLBHIALSA-N 2 0 374.485 0.583 20 0 FCADRP Cc1coc(CC(=O)NC[C@H](C)[NH+](C)C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000635255280 492423222 /nfs/dbraw/zinc/42/32/22/492423222.db2.gz PIHDRXPENVAZPY-UONOGXRCSA-N 2 0 352.479 0.877 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000621840268 492423212 /nfs/dbraw/zinc/42/32/12/492423212.db2.gz GEELJVGJDQVWLG-JXFKEZNVSA-N 2 0 371.485 0.502 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000621845159 492425309 /nfs/dbraw/zinc/42/53/09/492425309.db2.gz CPXWIWJSOBTNDD-HNAYVOBHSA-N 2 0 364.490 0.087 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000627981570 492432743 /nfs/dbraw/zinc/43/27/43/492432743.db2.gz BLDMRVXTDLDMIF-GOSISDBHSA-N 2 0 374.485 0.446 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622014187 492440531 /nfs/dbraw/zinc/44/05/31/492440531.db2.gz ASDZHOHCYARHHN-ZBFHGGJFSA-N 2 0 355.508 0.563 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622014185 492440538 /nfs/dbraw/zinc/44/05/38/492440538.db2.gz ASDZHOHCYARHHN-GOEBONIOSA-N 2 0 355.508 0.563 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655446319 492443113 /nfs/dbraw/zinc/44/31/13/492443113.db2.gz NTKIWSBJRHJPQV-YLJYHZDGSA-N 2 0 358.486 0.984 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000622029443 492444316 /nfs/dbraw/zinc/44/43/16/492444316.db2.gz GRGWHKAZJOEGAS-MQJTVSLUSA-N 2 0 360.502 0.802 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000643416855 492453040 /nfs/dbraw/zinc/45/30/40/492453040.db2.gz OYJUOFVXMUGTSN-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000643416075 492453551 /nfs/dbraw/zinc/45/35/51/492453551.db2.gz RMWXKQPBUIFSNM-HZPDHXFCSA-N 2 0 356.511 0.402 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556306 492455700 /nfs/dbraw/zinc/45/57/00/492455700.db2.gz HLOYDYJRSHFXAX-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556359 492455736 /nfs/dbraw/zinc/45/57/36/492455736.db2.gz MADAKBSDRYUGQM-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528233 492463688 /nfs/dbraw/zinc/46/36/88/492463688.db2.gz PMLAGRUEALWXEO-SJLPKXTDSA-N 2 0 369.473 0.968 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000643481001 492476971 /nfs/dbraw/zinc/47/69/71/492476971.db2.gz WTBIGZFBWQSHCS-GOSISDBHSA-N 2 0 358.486 0.918 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000635583141 492477137 /nfs/dbraw/zinc/47/71/37/492477137.db2.gz WZVFAVDCOKWYET-INIZCTEOSA-N 2 0 353.507 0.962 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C[C@@H]12 ZINC000643483316 492477883 /nfs/dbraw/zinc/47/78/83/492477883.db2.gz KHCXVMVDDGCUCF-RCCFBDPRSA-N 2 0 362.518 0.907 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483350 492478420 /nfs/dbraw/zinc/47/84/20/492478420.db2.gz OQIUFFCRPTZYAL-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000643486907 492479090 /nfs/dbraw/zinc/47/90/90/492479090.db2.gz BVWHSBIRQRYNIU-KRWDZBQOSA-N 2 0 350.507 0.908 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643494155 492481286 /nfs/dbraw/zinc/48/12/86/492481286.db2.gz MDPXARJHTATZNP-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000643494214 492481793 /nfs/dbraw/zinc/48/17/93/492481793.db2.gz QTMRXSDRKJVNJC-KRWDZBQOSA-N 2 0 350.507 0.908 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000643498738 492482292 /nfs/dbraw/zinc/48/22/92/492482292.db2.gz MTJJRZSMCIDZRD-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000643503502 492483574 /nfs/dbraw/zinc/48/35/74/492483574.db2.gz JJKPHVAJJIJLAJ-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000643503628 492483765 /nfs/dbraw/zinc/48/37/65/492483765.db2.gz OLBMYNUTZXXUNJ-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000643502991 492483892 /nfs/dbraw/zinc/48/38/92/492483892.db2.gz XQJOVMMUZKYWSU-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509682 492484595 /nfs/dbraw/zinc/48/45/95/492484595.db2.gz JMVCAUAHKDXIQF-IRXDYDNUSA-N 2 0 350.507 0.908 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643513585 492486590 /nfs/dbraw/zinc/48/65/90/492486590.db2.gz QYJMDCQGHGEYGW-DLBZAZTESA-N 2 0 367.538 0.057 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)CC1 ZINC000643516197 492487685 /nfs/dbraw/zinc/48/76/85/492487685.db2.gz ZXZNDOXHIIIMKV-IKJBURDNSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531826 492491461 /nfs/dbraw/zinc/49/14/61/492491461.db2.gz OQYXWPCJNYVKRG-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000643531857 492492323 /nfs/dbraw/zinc/49/23/23/492492323.db2.gz QOGBIBJHEZVKRJ-JFIYKMOQSA-N 2 0 358.486 0.928 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531828 492492348 /nfs/dbraw/zinc/49/23/48/492492348.db2.gz OXFUIBRWLBMHFA-JQHSSLGASA-N 2 0 358.486 0.915 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643532044 492492360 /nfs/dbraw/zinc/49/23/60/492492360.db2.gz AQHGJAXVYXMUFO-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643532532 492492672 /nfs/dbraw/zinc/49/26/72/492492672.db2.gz SCTCENOPJSIGHG-OKZBNKHCSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643532530 492493093 /nfs/dbraw/zinc/49/30/93/492493093.db2.gz SCTCENOPJSIGHG-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000643539755 492493975 /nfs/dbraw/zinc/49/39/75/492493975.db2.gz CMGMUTWUVRRZNL-OAHLLOKOSA-N 2 0 354.495 0.286 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000643549827 492496848 /nfs/dbraw/zinc/49/68/48/492496848.db2.gz TYUXYZCLUDBRLG-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643560033 492498959 /nfs/dbraw/zinc/49/89/59/492498959.db2.gz FRVOTMHCEBGYOB-HOTGVXAUSA-N 2 0 364.515 0.849 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643576772 492499958 /nfs/dbraw/zinc/49/99/58/492499958.db2.gz SVSIZRFCCCTLAP-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000655973385 492500133 /nfs/dbraw/zinc/50/01/33/492500133.db2.gz FQZALKKMVMRDGA-ZACQAIPSSA-N 2 0 363.506 0.609 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ncn(-c2ccccc2)n1 ZINC000656032743 492522905 /nfs/dbraw/zinc/52/29/05/492522905.db2.gz KPMMZXOOGGBZRO-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCOC3)c2)CC1 ZINC000649295976 492525255 /nfs/dbraw/zinc/52/52/55/492525255.db2.gz MXQZKOXXTMVVKO-MRXNPFEDSA-N 2 0 360.458 0.558 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649328321 492535707 /nfs/dbraw/zinc/53/57/07/492535707.db2.gz OQHFVSCRFXPCLQ-HNNXBMFYSA-N 2 0 354.495 0.332 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cnn1C ZINC000649339633 492538772 /nfs/dbraw/zinc/53/87/72/492538772.db2.gz SCORFJWINFLLQV-MSOLQXFVSA-N 2 0 361.490 0.355 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649351707 492543986 /nfs/dbraw/zinc/54/39/86/492543986.db2.gz LDJLARWASIFPAA-CYBMUJFWSA-N 2 0 356.434 0.212 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351812 492544430 /nfs/dbraw/zinc/54/44/30/492544430.db2.gz USOWQWMGYXXPQH-CQSZACIVSA-N 2 0 353.417 0.694 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC000649352919 492546568 /nfs/dbraw/zinc/54/65/68/492546568.db2.gz UIWWDNBEVKEDOH-QGZVFWFLSA-N 2 0 360.506 0.200 20 0 FCADRP COc1ccc(C)cc1CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649411313 492552637 /nfs/dbraw/zinc/55/26/37/492552637.db2.gz HGCFBTSXUCGJMV-UHFFFAOYSA-N 2 0 360.502 0.943 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649417466 492553760 /nfs/dbraw/zinc/55/37/60/492553760.db2.gz RZBJNKNPEGERNM-IRXDYDNUSA-N 2 0 370.513 0.770 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656300836 492577543 /nfs/dbraw/zinc/57/75/43/492577543.db2.gz DLUIRNBYJKAETE-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656301133 492578571 /nfs/dbraw/zinc/57/85/71/492578571.db2.gz HVDMFLSMHMDBOW-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656304821 492580240 /nfs/dbraw/zinc/58/02/40/492580240.db2.gz ICBUIHUEHIDMTE-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[NH+](C)C)c1 ZINC000636473402 492595034 /nfs/dbraw/zinc/59/50/34/492595034.db2.gz ZOSBGQBVUWYXFZ-DOTOQJQBSA-N 2 0 350.463 0.664 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656336895 492600768 /nfs/dbraw/zinc/60/07/68/492600768.db2.gz DLHMDGCBHUHFGU-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360636 492613449 /nfs/dbraw/zinc/61/34/49/492613449.db2.gz UTTUSZMXQYQZIY-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000629418123 492624411 /nfs/dbraw/zinc/62/44/11/492624411.db2.gz MVAQWKBBDXEFHL-KRWDZBQOSA-N 2 0 350.507 0.480 20 0 FCADRP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629578820 492655927 /nfs/dbraw/zinc/65/59/27/492655927.db2.gz HEADNZZHMVIWMF-ZIAGYGMSSA-N 2 0 351.447 0.931 20 0 FCADRP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000624615017 492666572 /nfs/dbraw/zinc/66/65/72/492666572.db2.gz JJRSNJXEKCPCJB-KRWDZBQOSA-N 2 0 365.522 0.668 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000629787982 492672059 /nfs/dbraw/zinc/67/20/59/492672059.db2.gz BSMMDHPCNNIGGF-UHFFFAOYSA-N 2 0 368.522 0.535 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000629800792 492679044 /nfs/dbraw/zinc/67/90/44/492679044.db2.gz AYXBEOOAQBQORM-UHFFFAOYSA-N 2 0 350.463 0.393 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624787027 492683712 /nfs/dbraw/zinc/68/37/12/492683712.db2.gz OLALZXBITBMCMD-ZBFHGGJFSA-N 2 0 351.495 0.765 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(C)n1C ZINC000624943739 492700493 /nfs/dbraw/zinc/70/04/93/492700493.db2.gz QRAVLQZWZPJUBP-HNNXBMFYSA-N 2 0 357.524 0.765 20 0 FCADRP CC(C)Oc1cncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000624956627 492702547 /nfs/dbraw/zinc/70/25/47/492702547.db2.gz QCXFZUNFCBZCMY-UHFFFAOYSA-N 2 0 358.508 0.983 20 0 FCADRP CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000657090851 492714836 /nfs/dbraw/zinc/71/48/36/492714836.db2.gz IMPHKOGGKWMSGH-UHFFFAOYSA-N 2 0 356.536 0.910 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000636939823 492733082 /nfs/dbraw/zinc/73/30/82/492733082.db2.gz GRYRZYGFQCFATK-IXDOHACOSA-N 2 0 354.495 0.120 20 0 FCADRP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631163206 492802388 /nfs/dbraw/zinc/80/23/88/492802388.db2.gz LTOLLPGXYPYZEX-XMTFNYHQSA-N 2 0 364.534 0.929 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873185 492807891 /nfs/dbraw/zinc/80/78/91/492807891.db2.gz GZSBQCXDHUHRHU-INIZCTEOSA-N 2 0 359.474 0.530 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873184 492808010 /nfs/dbraw/zinc/80/80/10/492808010.db2.gz GRLJKEDXAYUBCT-SFHVURJKSA-N 2 0 371.485 0.817 20 0 FCADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[NH+]3CCN(CCO)CC3)cc12 ZINC000657883097 492809091 /nfs/dbraw/zinc/80/90/91/492809091.db2.gz PIISDERNHRXIPE-UHFFFAOYSA-N 2 0 360.506 0.756 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCCCn3cncn3)CC2)CC1 ZINC000637576374 492849943 /nfs/dbraw/zinc/84/99/43/492849943.db2.gz KQQYDXFNXHBOTB-UHFFFAOYSA-N 2 0 363.510 0.870 20 0 FCADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844996 492861005 /nfs/dbraw/zinc/86/10/05/492861005.db2.gz RDGWWXGPLOARGU-KSSFIOAISA-N 2 0 354.458 0.957 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813005 492869343 /nfs/dbraw/zinc/86/93/43/492869343.db2.gz HNYWKVJFXBDWEK-AEFFLSMTSA-N 2 0 374.485 0.235 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645126098 492870084 /nfs/dbraw/zinc/87/00/84/492870084.db2.gz BOERXWDRRITNOR-QGZVFWFLSA-N 2 0 368.522 0.849 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000637868238 492873087 /nfs/dbraw/zinc/87/30/87/492873087.db2.gz WFVAKIKUUHATTH-MLGOLLRUSA-N 2 0 361.446 0.492 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000631909655 492875598 /nfs/dbraw/zinc/87/55/98/492875598.db2.gz LCRVGHVBSWUOLJ-UHFFFAOYSA-N 2 0 354.520 0.979 20 0 FCADRP CCO[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000652174542 492890471 /nfs/dbraw/zinc/89/04/71/492890471.db2.gz XRNJWKJCRLHJRO-HZPDHXFCSA-N 2 0 365.478 0.527 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000638089685 492904063 /nfs/dbraw/zinc/90/40/63/492904063.db2.gz CRPQGBSEAKIYJL-UGSOOPFHSA-N 2 0 362.430 0.862 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652312697 492908330 /nfs/dbraw/zinc/90/83/30/492908330.db2.gz XZQATZBYZXXGNA-UHFFFAOYSA-N 2 0 351.495 0.326 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116186 492910098 /nfs/dbraw/zinc/91/00/98/492910098.db2.gz HRBHIXKZDUNYMX-LPHOPBHVSA-N 2 0 360.502 0.850 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000632017262 492911797 /nfs/dbraw/zinc/91/17/97/492911797.db2.gz SBZGZCLTEOPHIA-QGZVFWFLSA-N 2 0 358.552 0.371 20 0 FCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652347737 492913295 /nfs/dbraw/zinc/91/32/95/492913295.db2.gz KKCWOXHPBRVJJH-ZNMIVQPWSA-N 2 0 352.479 0.925 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348463 492913556 /nfs/dbraw/zinc/91/35/56/492913556.db2.gz FGWABOUVCDHGQU-XLAORIBOSA-N 2 0 352.523 0.757 20 0 FCADRP [NH3+]C1(CC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226412 492923697 /nfs/dbraw/zinc/92/36/97/492923697.db2.gz ILFVTSKRWLYGSL-RTBURBONSA-N 2 0 372.513 0.959 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000632112072 492932336 /nfs/dbraw/zinc/93/23/36/492932336.db2.gz MJUNZWANPNSURS-SJORKVTESA-N 2 0 358.552 0.370 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632129301 492936215 /nfs/dbraw/zinc/93/62/15/492936215.db2.gz HJRKDDIRWFJMBB-IKGGRYGDSA-N 2 0 359.536 0.986 20 0 FCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349290 492939021 /nfs/dbraw/zinc/93/90/21/492939021.db2.gz ZWSRJSFYQFMVIG-JYJNAYRXSA-N 2 0 351.495 0.497 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349559 492939461 /nfs/dbraw/zinc/93/94/61/492939461.db2.gz QCSMXDMBRSLNPR-HOTGVXAUSA-N 2 0 365.522 0.711 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439456 492947733 /nfs/dbraw/zinc/94/77/33/492947733.db2.gz IDUAOJHSWQMBPF-CVEARBPZSA-N 2 0 360.506 0.867 20 0 FCADRP CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638558234 492960229 /nfs/dbraw/zinc/96/02/29/492960229.db2.gz WEMJBJYCQIYXLW-NEPJUHHUSA-N 2 0 352.401 0.429 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000632289790 492966733 /nfs/dbraw/zinc/96/67/33/492966733.db2.gz YDZYAEOPUALFDH-INIZCTEOSA-N 2 0 360.568 0.664 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cn1 ZINC000652622390 492971816 /nfs/dbraw/zinc/97/18/16/492971816.db2.gz IUMAIUXIMJNCTC-UHFFFAOYSA-N 2 0 358.446 0.371 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)c1cccs1 ZINC000652666570 492982185 /nfs/dbraw/zinc/98/21/85/492982185.db2.gz LQVCVYIVXIEBBE-AWEZNQCLSA-N 2 0 352.504 0.973 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CC2)C1=O ZINC000638856699 492982496 /nfs/dbraw/zinc/98/24/96/492982496.db2.gz RTVYJPSOYYPGTO-NQIIRXRSSA-N 2 0 370.497 0.729 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1=O ZINC000638856679 492982569 /nfs/dbraw/zinc/98/25/69/492982569.db2.gz QZLZCNIRFTZYHK-ZWKOTPCHSA-N 2 0 356.470 0.685 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)C1=O ZINC000638856720 492982618 /nfs/dbraw/zinc/98/26/18/492982618.db2.gz SGFBHHKDJHPFII-BWDFJHHZSA-N 2 0 362.518 0.951 20 0 FCADRP Cn1cc(N2C[C@@H](C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)CC2=O)cn1 ZINC000638983217 492990455 /nfs/dbraw/zinc/99/04/55/492990455.db2.gz CZXJFRATPYHTAA-ZDUSSCGKSA-N 2 0 369.429 0.216 20 0 FCADRP [NH3+]CCOCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000645948941 492991304 /nfs/dbraw/zinc/99/13/04/492991304.db2.gz KVGYAWYIRNMWCA-UHFFFAOYSA-N 2 0 354.882 0.944 20 0 FCADRP CN(C)C(=O)N1CCC(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000638988399 492991868 /nfs/dbraw/zinc/99/18/68/492991868.db2.gz XYNGRWYKVUXGBG-UHFFFAOYSA-N 2 0 360.462 0.823 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646009440 492999762 /nfs/dbraw/zinc/99/97/62/492999762.db2.gz KBNMUTVHXFPYRH-PKOBYXMFSA-N 2 0 358.486 0.396 20 0 FCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009499 492999817 /nfs/dbraw/zinc/99/98/17/492999817.db2.gz NOAQXBIUCOLYGA-ZWKOTPCHSA-N 2 0 352.523 0.807 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646009437 493000134 /nfs/dbraw/zinc/00/01/34/493000134.db2.gz KBNMUTVHXFPYRH-HKUYNNGSSA-N 2 0 358.486 0.396 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009474 493000668 /nfs/dbraw/zinc/00/06/68/493000668.db2.gz MDSDRMPXTDVPRX-FPOVZHCZSA-N 2 0 372.513 0.440 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639172860 493001339 /nfs/dbraw/zinc/00/13/39/493001339.db2.gz QAXMRVAVIALCNO-UHFFFAOYSA-N 2 0 362.927 0.913 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(N3CCOCC3)CCOCC2)CC1 ZINC000639257840 493003032 /nfs/dbraw/zinc/00/30/32/493003032.db2.gz ZYCRBDPZNVPAKR-UHFFFAOYSA-N 2 0 355.523 0.693 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2cc3c(cn2)OCCO3)(N2CCOCC2)CC1 ZINC000639261495 493003647 /nfs/dbraw/zinc/00/36/47/493003647.db2.gz ONNYUWKVJKRVAW-UHFFFAOYSA-N 2 0 362.474 0.739 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000652725881 493005973 /nfs/dbraw/zinc/00/59/73/493005973.db2.gz WQYDNOUTSXTXLK-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632489179 493008626 /nfs/dbraw/zinc/00/86/26/493008626.db2.gz CHSKFVQQWOESLH-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000646075317 493011039 /nfs/dbraw/zinc/01/10/39/493011039.db2.gz AZBSDYUMSYRINY-JKSUJKDBSA-N 2 0 362.478 0.135 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639449787 493011274 /nfs/dbraw/zinc/01/12/74/493011274.db2.gz BVKUSPCRHUKLQJ-HXUWFJFHSA-N 2 0 360.502 0.329 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105720 493012828 /nfs/dbraw/zinc/01/28/28/493012828.db2.gz FCSSWIXLYXLXBM-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850573 493055739 /nfs/dbraw/zinc/05/57/39/493055739.db2.gz VZOBPCIXJODNAY-IYWMVGAKSA-N 2 0 364.486 0.322 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000626914289 493061537 /nfs/dbraw/zinc/06/15/37/493061537.db2.gz RTQBFYPTQWMKTO-OAHLLOKOSA-N 2 0 361.446 0.384 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626947981 493069212 /nfs/dbraw/zinc/06/92/12/493069212.db2.gz LKPXBSKBHSEPAA-IVSAIRAKSA-N 2 0 363.510 0.978 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000626982237 493074748 /nfs/dbraw/zinc/07/47/48/493074748.db2.gz DDVMICLYPLJNPW-FRRDWIJNSA-N 2 0 352.401 0.876 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000626996294 493077459 /nfs/dbraw/zinc/07/74/59/493077459.db2.gz OICDUPXQKYTSEC-MRXNPFEDSA-N 2 0 354.495 0.557 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000646666681 493081903 /nfs/dbraw/zinc/08/19/03/493081903.db2.gz WZJCPFDQTSSPIF-QZTJIDSGSA-N 2 0 373.501 0.607 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272004 493087909 /nfs/dbraw/zinc/08/79/09/493087909.db2.gz UXRTYPGZTNIKGU-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CC[NH2+]CC1 ZINC000632868766 493094530 /nfs/dbraw/zinc/09/45/30/493094530.db2.gz LIIFNYAQXIQREB-CYBMUJFWSA-N 2 0 351.472 0.317 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cn2)CC1 ZINC000632961856 493098557 /nfs/dbraw/zinc/09/85/57/493098557.db2.gz UOIWOWJKRZUBAZ-KRWDZBQOSA-N 2 0 361.494 0.661 20 0 FCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000633027456 493105204 /nfs/dbraw/zinc/10/52/04/493105204.db2.gz OGSXQLVPOLPSMY-HOTGVXAUSA-N 2 0 360.458 0.918 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCC[NH+](C)C)c1 ZINC000633032872 493107106 /nfs/dbraw/zinc/10/71/06/493107106.db2.gz MVTYHDUSPLJFES-GASCZTMLSA-N 2 0 360.458 0.837 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000633041277 493108332 /nfs/dbraw/zinc/10/83/32/493108332.db2.gz VGUYIMPYXWGETB-VXGBXAGGSA-N 2 0 352.410 0.653 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000627227409 493110335 /nfs/dbraw/zinc/11/03/35/493110335.db2.gz IXHMKPHQVYSVLW-QGZVFWFLSA-N 2 0 361.494 0.972 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627227995 493110385 /nfs/dbraw/zinc/11/03/85/493110385.db2.gz ASDCRBATQASLIF-IRXDYDNUSA-N 2 0 361.494 0.972 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000627234745 493114369 /nfs/dbraw/zinc/11/43/69/493114369.db2.gz KPTZMVWOXNLGSI-ZMSDIMECSA-N 2 0 361.494 0.734 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000627234805 493114392 /nfs/dbraw/zinc/11/43/92/493114392.db2.gz LJGNLWGHZMTOIB-USXIJHARSA-N 2 0 361.494 0.876 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259005 493120200 /nfs/dbraw/zinc/12/02/00/493120200.db2.gz KOARIVQYBNKJFM-ROUUACIJSA-N 2 0 373.501 0.261 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104666 493128050 /nfs/dbraw/zinc/12/80/50/493128050.db2.gz HCSJRYLXBFIQBB-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627291742 493136058 /nfs/dbraw/zinc/13/60/58/493136058.db2.gz CWQAYOJAGWJLKI-IRXDYDNUSA-N 2 0 360.458 0.044 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000627292836 493136723 /nfs/dbraw/zinc/13/67/23/493136723.db2.gz FBIXQFPLQFOFQN-ZWKOTPCHSA-N 2 0 360.502 0.732 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627295311 493138385 /nfs/dbraw/zinc/13/83/85/493138385.db2.gz ZWFPPLHVOGWLNB-AVGNSLFASA-N 2 0 366.428 0.819 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000633193218 493139624 /nfs/dbraw/zinc/13/96/24/493139624.db2.gz GLKXIXJFGHOQGW-UHFFFAOYSA-N 2 0 364.494 0.167 20 0 FCADRP CC[NH2+]Cc1ccn(Cc2cn(CC(=O)NC3CC[NH+](CC)CC3)nn2)n1 ZINC000640866253 493140158 /nfs/dbraw/zinc/14/01/58/493140158.db2.gz GZUKCPRSGGFDNE-UHFFFAOYSA-N 2 0 374.493 0.233 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627310371 493144817 /nfs/dbraw/zinc/14/48/17/493144817.db2.gz PZMDBOXYHRUWQA-SFHVURJKSA-N 2 0 374.485 0.393 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000627310150 493144873 /nfs/dbraw/zinc/14/48/73/493144873.db2.gz JQPLTLRUNLSHIO-QGZVFWFLSA-N 2 0 362.474 0.249 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627314379 493147523 /nfs/dbraw/zinc/14/75/23/493147523.db2.gz AWXNRFBVUQNQMX-KRWDZBQOSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000633362672 493149308 /nfs/dbraw/zinc/14/93/08/493149308.db2.gz OUZHDIBCTAARIS-UHFFFAOYSA-N 2 0 350.511 0.591 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000640955520 493153420 /nfs/dbraw/zinc/15/34/20/493153420.db2.gz JIJIHMYECDKFKJ-QZTJIDSGSA-N 2 0 367.538 0.565 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)c(C)c2)CC1 ZINC000659114224 493160164 /nfs/dbraw/zinc/16/01/64/493160164.db2.gz MFRSTNVTTCRJPC-HNNXBMFYSA-N 2 0 361.490 0.800 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000659113766 493160347 /nfs/dbraw/zinc/16/03/47/493160347.db2.gz HAQUKUFHKIRHCH-HNNXBMFYSA-N 2 0 361.490 0.487 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000659113648 493160544 /nfs/dbraw/zinc/16/05/44/493160544.db2.gz XLSOXOHUZKHCSH-HNNXBMFYSA-N 2 0 373.501 0.881 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627338742 493161776 /nfs/dbraw/zinc/16/17/76/493161776.db2.gz PBXWVLVDMNLHQC-GOSISDBHSA-N 2 0 374.485 0.180 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149360 493172887 /nfs/dbraw/zinc/17/28/87/493172887.db2.gz FPPBQQRRUCGSCY-SFHVURJKSA-N 2 0 371.485 0.738 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cc(CC[NH3+])nn2)CC1 ZINC000641171323 493175206 /nfs/dbraw/zinc/17/52/06/493175206.db2.gz QLIPMQMSPSNHOF-UHFFFAOYSA-N 2 0 356.474 0.869 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659444836 493180675 /nfs/dbraw/zinc/18/06/75/493180675.db2.gz POCWEFMBPGALFT-UHFFFAOYSA-N 2 0 374.445 0.581 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659451499 493182364 /nfs/dbraw/zinc/18/23/64/493182364.db2.gz FMJKIKPXFDTUTD-WMLDXEAASA-N 2 0 361.490 0.791 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659464447 493187018 /nfs/dbraw/zinc/18/70/18/493187018.db2.gz HXZPSNMPFXVWAF-UHFFFAOYSA-N 2 0 365.522 0.746 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000659318634 493189876 /nfs/dbraw/zinc/18/98/76/493189876.db2.gz TVGRADGYLOJZQN-MRXNPFEDSA-N 2 0 366.462 0.131 20 0 FCADRP CCO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C ZINC000659318513 493189914 /nfs/dbraw/zinc/18/99/14/493189914.db2.gz INHUWCODXKFMAO-JKSUJKDBSA-N 2 0 356.511 0.212 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000659318582 493190741 /nfs/dbraw/zinc/19/07/41/493190741.db2.gz OUNDIMLLKSYFLK-KRWDZBQOSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481067 493191320 /nfs/dbraw/zinc/19/13/20/493191320.db2.gz FEAPJBMMLWSTJX-CJNGLKHVSA-N 2 0 370.457 0.961 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[C@H]1F ZINC000659481306 493191480 /nfs/dbraw/zinc/19/14/80/493191480.db2.gz XSPZZSUKWSYRBO-BRWVUGGUSA-N 2 0 350.438 0.834 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627382691 493192542 /nfs/dbraw/zinc/19/25/42/493192542.db2.gz HDGMKGNIYZTPLD-INIZCTEOSA-N 2 0 366.506 0.254 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627386941 493194718 /nfs/dbraw/zinc/19/47/18/493194718.db2.gz ASMXBAPDXLNQLP-QAPCUYQASA-N 2 0 374.485 0.433 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000627387816 493194813 /nfs/dbraw/zinc/19/48/13/493194813.db2.gz BEXYXLDNHGVXGL-SFHVURJKSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388254 493196047 /nfs/dbraw/zinc/19/60/47/493196047.db2.gz PKBGUROBWDSCCZ-RDJZCZTQSA-N 2 0 362.474 0.199 20 0 FCADRP [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)cc2C1 ZINC000666669063 493213381 /nfs/dbraw/zinc/21/33/81/493213381.db2.gz CONHYTVYEKQKDA-HNNXBMFYSA-N 2 0 371.485 0.923 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000659578014 493216148 /nfs/dbraw/zinc/21/61/48/493216148.db2.gz QCSHVCDUYREWRR-LSDHHAIUSA-N 2 0 351.495 0.548 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659583735 493216938 /nfs/dbraw/zinc/21/69/38/493216938.db2.gz QRMHORQRJLGEKB-NUJGCVRESA-N 2 0 350.438 0.637 20 0 FCADRP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687576 493232992 /nfs/dbraw/zinc/23/29/92/493232992.db2.gz XQARDSUDWNTWDP-GDBMZVCRSA-N 2 0 350.467 0.772 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672696429 493234723 /nfs/dbraw/zinc/23/47/23/493234723.db2.gz XJRBKTALTKXCMQ-BBWFWOEESA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666974315 493243233 /nfs/dbraw/zinc/24/32/33/493243233.db2.gz NEHBXGPSCNZNRO-INIZCTEOSA-N 2 0 354.495 0.338 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666975135 493244350 /nfs/dbraw/zinc/24/43/50/493244350.db2.gz IRRWNNMNWHVKTK-QGZVFWFLSA-N 2 0 368.522 0.774 20 0 FCADRP C[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000666976977 493244455 /nfs/dbraw/zinc/24/44/55/493244455.db2.gz UBQHXFDOJUJHAV-DOTOQJQBSA-N 2 0 368.522 0.726 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977965 493244996 /nfs/dbraw/zinc/24/49/96/493244996.db2.gz NBNSMJXCOAIUDV-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)[NH+](C)C)c1 ZINC000659675826 493245070 /nfs/dbraw/zinc/24/50/70/493245070.db2.gz YODGUUNLSIHDIV-MRXNPFEDSA-N 2 0 362.474 0.802 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977964 493245352 /nfs/dbraw/zinc/24/53/52/493245352.db2.gz NBNSMJXCOAIUDV-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCc1cn2cccc(C)c2n1)C1CC1 ZINC000672764019 493246403 /nfs/dbraw/zinc/24/64/03/493246403.db2.gz YDWIIOKVNLCTEV-UHFFFAOYSA-N 2 0 357.458 0.902 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000659686798 493253481 /nfs/dbraw/zinc/25/34/81/493253481.db2.gz JYKBQYRBEKBVMZ-ZDUSSCGKSA-N 2 0 352.504 0.800 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659689126 493254357 /nfs/dbraw/zinc/25/43/57/493254357.db2.gz TVDZPONLHPVJLT-KRWDZBQOSA-N 2 0 360.502 0.863 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000659694495 493258149 /nfs/dbraw/zinc/25/81/49/493258149.db2.gz LPLZXVQXVOCHSY-BZUAXINKSA-N 2 0 356.486 0.757 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000659700174 493260887 /nfs/dbraw/zinc/26/08/87/493260887.db2.gz CRLIZGDJOILEDY-KCQAQPDRSA-N 2 0 352.504 0.971 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000659701279 493260911 /nfs/dbraw/zinc/26/09/11/493260911.db2.gz CVXWMBRVAPCTJK-HOCLYGCPSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000659701277 493261215 /nfs/dbraw/zinc/26/12/15/493261215.db2.gz CVXWMBRVAPCTJK-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704192 493263347 /nfs/dbraw/zinc/26/33/47/493263347.db2.gz HUTHKBDBLNXWNV-ROUUACIJSA-N 2 0 362.518 0.825 20 0 FCADRP CC1(C)CN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC[N@@H+]1CCO ZINC000672951387 493269583 /nfs/dbraw/zinc/26/95/83/493269583.db2.gz FGJSXLFYENLJNB-SJORKVTESA-N 2 0 368.522 0.728 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957658 493269890 /nfs/dbraw/zinc/26/98/90/493269890.db2.gz UTIDFMUHXJDFRD-DLBZAZTESA-N 2 0 368.522 0.462 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1F ZINC000667262933 493270562 /nfs/dbraw/zinc/27/05/62/493270562.db2.gz QSCIFAPCAGOEPO-CQSZACIVSA-N 2 0 366.437 0.963 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000659717935 493270677 /nfs/dbraw/zinc/27/06/77/493270677.db2.gz LLPYQVDFWTZRPT-KRWDZBQOSA-N 2 0 359.474 0.263 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000641658785 493270726 /nfs/dbraw/zinc/27/07/26/493270726.db2.gz IRVAOEGCNKTPKN-OLZOCXBDSA-N 2 0 351.417 0.606 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000641658783 493271074 /nfs/dbraw/zinc/27/10/74/493271074.db2.gz IRVAOEGCNKTPKN-CHWSQXEVSA-N 2 0 351.417 0.606 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH2+]C3CC3)c2)CC1 ZINC000667294450 493273327 /nfs/dbraw/zinc/27/33/27/493273327.db2.gz XCHHGAQNWQNMRE-UHFFFAOYSA-N 2 0 359.474 0.241 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659725925 493273537 /nfs/dbraw/zinc/27/35/37/493273537.db2.gz AULBRWOQBSAQSJ-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659724886 493273737 /nfs/dbraw/zinc/27/37/37/493273737.db2.gz RKVCFFPRBRBLCC-OAHLLOKOSA-N 2 0 361.490 0.524 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659726907 493274347 /nfs/dbraw/zinc/27/43/47/493274347.db2.gz CQDSMBCJYGNXPT-CRAIPNDOSA-N 2 0 373.501 0.606 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659726908 493274516 /nfs/dbraw/zinc/27/45/16/493274516.db2.gz CQDSMBCJYGNXPT-MAUKXSAKSA-N 2 0 373.501 0.606 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H](C)C[NH2+]1 ZINC000659727378 493275289 /nfs/dbraw/zinc/27/52/89/493275289.db2.gz DSIGKWKFDZFTJY-HZPDHXFCSA-N 2 0 373.501 0.619 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670686 493275806 /nfs/dbraw/zinc/27/58/06/493275806.db2.gz RCRXCWVAJUMNQL-DLBZAZTESA-N 2 0 370.563 0.337 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659738448 493279900 /nfs/dbraw/zinc/27/99/00/493279900.db2.gz DUMYRVYEOXLAGP-VVLHAWIVSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000667398352 493281993 /nfs/dbraw/zinc/28/19/93/493281993.db2.gz PKVHOJFRUQKFGU-MAUKXSAKSA-N 2 0 374.485 0.838 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@@H]1C[NH3+] ZINC000659756011 493287163 /nfs/dbraw/zinc/28/71/63/493287163.db2.gz OYYDGDRSLHILIU-PBHICJAKSA-N 2 0 350.507 0.668 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000673275233 493310003 /nfs/dbraw/zinc/31/00/03/493310003.db2.gz OAPXMWFJPZFCPF-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP CCC1(Cn2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn2)COC1 ZINC000668303864 493329469 /nfs/dbraw/zinc/32/94/69/493329469.db2.gz WUIHGJAQEUMMGU-UHFFFAOYSA-N 2 0 352.483 0.270 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000673875543 493370521 /nfs/dbraw/zinc/37/05/21/493370521.db2.gz CJQSBRWUVFRBIB-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000668584768 493379818 /nfs/dbraw/zinc/37/98/18/493379818.db2.gz FIZHEVKULWRJSI-MSOLQXFVSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585543 493380448 /nfs/dbraw/zinc/38/04/48/493380448.db2.gz PPDZMJIJHARBRY-IXDOHACOSA-N 2 0 364.490 0.099 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCSC1 ZINC000660824094 493382360 /nfs/dbraw/zinc/38/23/60/493382360.db2.gz JXQMZXOIUQJEGZ-NVXWUHKLSA-N 2 0 356.536 0.976 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000668656828 493392393 /nfs/dbraw/zinc/39/23/93/493392393.db2.gz DMWOGTAEPHALTF-UHFFFAOYSA-N 2 0 373.501 0.620 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668777299 493409043 /nfs/dbraw/zinc/40/90/43/493409043.db2.gz USJRVBBIALVYSU-GOEBONIOSA-N 2 0 354.495 0.202 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668796006 493412629 /nfs/dbraw/zinc/41/26/29/493412629.db2.gz IWBFQPJVBVVVIU-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000668830401 493417426 /nfs/dbraw/zinc/41/74/26/493417426.db2.gz BESXJVWCJCORHV-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP COC[C@@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000661227072 493419519 /nfs/dbraw/zinc/41/95/19/493419519.db2.gz DEZKNFMTKPOSRS-INIZCTEOSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000661333526 493428605 /nfs/dbraw/zinc/42/86/05/493428605.db2.gz NGQPLEAHZRSZTP-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000668989017 493447087 /nfs/dbraw/zinc/44/70/87/493447087.db2.gz OMSFOQUNEPKLBG-IRXDYDNUSA-N 2 0 358.490 0.727 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000669139234 493466911 /nfs/dbraw/zinc/46/69/11/493466911.db2.gz SGWZOEQMGKPLFU-YOEHRIQHSA-N 2 0 350.463 0.885 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669135305 493466928 /nfs/dbraw/zinc/46/69/28/493466928.db2.gz DSEPTHXFYCVDGV-RHSMWYFYSA-N 2 0 350.463 0.885 20 0 FCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143836 493467855 /nfs/dbraw/zinc/46/78/55/493467855.db2.gz FGHIDPDWJOZGBX-HOCLYGCPSA-N 2 0 368.522 0.448 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000685305272 493473865 /nfs/dbraw/zinc/47/38/65/493473865.db2.gz SWZBRNLYSLEHDJ-WMLDXEAASA-N 2 0 350.507 0.918 20 0 FCADRP O=C(C[NH+]1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978655 493480065 /nfs/dbraw/zinc/48/00/65/493480065.db2.gz QCXPWNDZBWUGTK-BRSBDYLESA-N 2 0 360.502 0.341 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000669452558 493504145 /nfs/dbraw/zinc/50/41/45/493504145.db2.gz SHYDDODJHSZYEL-SJLPKXTDSA-N 2 0 373.501 0.871 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294460 493504862 /nfs/dbraw/zinc/50/48/62/493504862.db2.gz WITZTXSGBGEKBA-QAPCUYQASA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298024 493504980 /nfs/dbraw/zinc/50/49/80/493504980.db2.gz TVUFDKPNVMTXTQ-PVAVHDDUSA-N 2 0 350.507 0.810 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486421 493506379 /nfs/dbraw/zinc/50/63/79/493506379.db2.gz DPJUTPIWCJLJTO-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337672 493507486 /nfs/dbraw/zinc/50/74/86/493507486.db2.gz NAGVYSYNJRMFQK-HOTGVXAUSA-N 3 0 360.506 0.520 20 0 FCADRP CC(C)([NH3+])c1noc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336133 493507838 /nfs/dbraw/zinc/50/78/38/493507838.db2.gz VSBVIKOUPYEQQL-ZDUSSCGKSA-N 2 0 374.493 0.776 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337873 493508073 /nfs/dbraw/zinc/50/80/73/493508073.db2.gz NAGVYSYNJRMFQK-HZPDHXFCSA-N 3 0 360.506 0.520 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669522691 493508909 /nfs/dbraw/zinc/50/89/09/493508909.db2.gz MADLZGWQWJHQMR-UHFFFAOYSA-N 2 0 353.511 0.664 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000662365320 493509805 /nfs/dbraw/zinc/50/98/05/493509805.db2.gz RPPXLFCQHJGLLL-OAHLLOKOSA-N 2 0 369.473 0.563 20 0 FCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462858 493517766 /nfs/dbraw/zinc/51/77/66/493517766.db2.gz OYERRJTVSVBEBT-PKOBYXMFSA-N 2 0 358.486 0.744 20 0 FCADRP COc1cc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000662691693 493531884 /nfs/dbraw/zinc/53/18/84/493531884.db2.gz LMHBDIJBGGBJAI-RHSMWYFYSA-N 2 0 351.447 0.616 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662695306 493532669 /nfs/dbraw/zinc/53/26/69/493532669.db2.gz ZBGIBMKAQLREAF-HNNXBMFYSA-N 2 0 350.429 0.918 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662702681 493533409 /nfs/dbraw/zinc/53/34/09/493533409.db2.gz CFILEUARAWSDLD-ZWKOTPCHSA-N 2 0 374.485 0.729 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709234 493533730 /nfs/dbraw/zinc/53/37/30/493533730.db2.gz XWCJWORWLWCHKI-UAGQMJEPSA-N 2 0 360.458 0.686 20 0 FCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662757365 493539632 /nfs/dbraw/zinc/53/96/32/493539632.db2.gz IOISBEQVBDJJDG-INIZCTEOSA-N 2 0 360.506 0.883 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758774 493539760 /nfs/dbraw/zinc/53/97/60/493539760.db2.gz STNOOUOERUUURG-ZFWWWQNUSA-N 2 0 350.429 0.918 20 0 FCADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662804530 493543398 /nfs/dbraw/zinc/54/33/98/493543398.db2.gz ANWFIZORKZTKFE-MRXNPFEDSA-N 2 0 358.446 0.812 20 0 FCADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662817259 493544932 /nfs/dbraw/zinc/54/49/32/493544932.db2.gz UFTLFIDNWQMGDH-CRAIPNDOSA-N 2 0 361.490 0.947 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[NH2+]CCOC2)cc1F ZINC000662870895 493548565 /nfs/dbraw/zinc/54/85/65/493548565.db2.gz OZFFROLMVOQMNE-DZKIICNBSA-N 2 0 351.422 0.632 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394352 493549132 /nfs/dbraw/zinc/54/91/32/493549132.db2.gz ZTBZDBPUOZPBSJ-PZJWPPBQSA-N 2 0 373.497 0.993 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927812 493554930 /nfs/dbraw/zinc/55/49/30/493554930.db2.gz GCMAPWWUPNGQQA-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000662940404 493557402 /nfs/dbraw/zinc/55/74/02/493557402.db2.gz GWCFOVIRAVSVLZ-UHFFFAOYSA-N 2 0 367.538 0.058 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000662947996 493559379 /nfs/dbraw/zinc/55/93/79/493559379.db2.gz DVPZSCFAKXZUNA-ROUUACIJSA-N 2 0 358.486 0.712 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662954627 493560327 /nfs/dbraw/zinc/56/03/27/493560327.db2.gz XOCMORIGBBVTOU-CEXWTWQISA-N 2 0 370.497 0.440 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662954225 493560607 /nfs/dbraw/zinc/56/06/07/493560607.db2.gz SXMVTPAQIGVTBY-YTQUADARSA-N 2 0 372.513 0.958 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH2+]CC1 ZINC000663004825 493565825 /nfs/dbraw/zinc/56/58/25/493565825.db2.gz RXNFIOSOKPXJRW-HNNXBMFYSA-N 2 0 357.520 0.391 20 0 FCADRP Cc1nnc2n1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000676813252 493572476 /nfs/dbraw/zinc/57/24/76/493572476.db2.gz CRGYUMQXQDMEBC-INIZCTEOSA-N 2 0 350.511 0.881 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000677129008 493585805 /nfs/dbraw/zinc/58/58/05/493585805.db2.gz KAGHKVMMCXOSJJ-ROUUACIJSA-N 2 0 370.501 0.804 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671178 493587200 /nfs/dbraw/zinc/58/72/00/493587200.db2.gz OUMCBFCIFNFUFJ-DLBZAZTESA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671907 493587608 /nfs/dbraw/zinc/58/76/08/493587608.db2.gz CLUQUCBQOJHAFB-DOTOQJQBSA-N 2 0 368.522 0.306 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000663614713 493604354 /nfs/dbraw/zinc/60/43/54/493604354.db2.gz CYWCYNBEJSLALG-HXUWFJFHSA-N 2 0 373.501 0.944 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000670984989 493620403 /nfs/dbraw/zinc/62/04/03/493620403.db2.gz KPUBEXGMXPDMAT-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677912634 493623532 /nfs/dbraw/zinc/62/35/32/493623532.db2.gz UHOAQYNFUINNGT-AWEZNQCLSA-N 2 0 370.475 0.168 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033114 493624992 /nfs/dbraw/zinc/62/49/92/493624992.db2.gz FXIBHZARIAZZSF-KRWDZBQOSA-N 2 0 367.538 0.121 20 0 FCADRP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677941435 493625910 /nfs/dbraw/zinc/62/59/10/493625910.db2.gz FWHPNWIIMYNAIO-GBESFXJTSA-N 2 0 358.486 0.128 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000671070922 493629304 /nfs/dbraw/zinc/62/93/04/493629304.db2.gz QYZKIOHISAOWGL-PBHICJAKSA-N 2 0 356.536 0.531 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071926 493629991 /nfs/dbraw/zinc/62/99/91/493629991.db2.gz WGMBEOVHZJVMMI-CRAIPNDOSA-N 2 0 368.547 0.627 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000671103347 493634076 /nfs/dbraw/zinc/63/40/76/493634076.db2.gz FUNXSLFYZZBUFD-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104280 493635030 /nfs/dbraw/zinc/63/50/30/493635030.db2.gz NABNNMGGTYPSLD-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170696 493645393 /nfs/dbraw/zinc/64/53/93/493645393.db2.gz DXHYJMYBGBCZPU-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671365612 493660901 /nfs/dbraw/zinc/66/09/01/493660901.db2.gz IVUDAKMYWYURDF-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664475733 493662370 /nfs/dbraw/zinc/66/23/70/493662370.db2.gz TZFAKYIPXVYQFC-QZWWFDLISA-N 2 0 354.495 0.071 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000664538915 493666392 /nfs/dbraw/zinc/66/63/92/493666392.db2.gz JLIMADQQHKESQP-GOSISDBHSA-N 2 0 367.538 0.565 20 0 FCADRP CN(CCC[NH+](C)C)CCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000665163463 493702682 /nfs/dbraw/zinc/70/26/82/493702682.db2.gz PJADBDGYIASLAK-UHFFFAOYSA-N 2 0 358.527 0.737 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000671849157 493708477 /nfs/dbraw/zinc/70/84/77/493708477.db2.gz ADZCUFJCDGSLIA-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCC(NC(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)c2N)CC1 ZINC000665509152 493719763 /nfs/dbraw/zinc/71/97/63/493719763.db2.gz ZRFOOSSSBOWARN-UHFFFAOYSA-N 2 0 373.501 0.917 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000672010813 493724427 /nfs/dbraw/zinc/72/44/27/493724427.db2.gz OSCWUFHQWQAYNM-HNNXBMFYSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000672012962 493724834 /nfs/dbraw/zinc/72/48/34/493724834.db2.gz DXLPKMWOQUWYIK-XIRDDKMYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000672014991 493725403 /nfs/dbraw/zinc/72/54/03/493725403.db2.gz PZLDGTFAAAVDEX-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310091 493754324 /nfs/dbraw/zinc/75/43/24/493754324.db2.gz GKBJMKITNJELDD-JKSUJKDBSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672312173 493755063 /nfs/dbraw/zinc/75/50/63/493755063.db2.gz XUOIBUZXBGAHGG-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125463 493759198 /nfs/dbraw/zinc/75/91/98/493759198.db2.gz GWAFBUYONGVNJY-UZLBHIALSA-N 2 0 372.469 0.195 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000419926670 536449028 /nfs/dbraw/zinc/44/90/28/536449028.db2.gz BOCJOIOXOJEGNG-CQSZACIVSA-N 2 0 352.454 0.688 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000410494960 527804653 /nfs/dbraw/zinc/80/46/53/527804653.db2.gz UBDDVXZZYHRWTJ-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845230 527805068 /nfs/dbraw/zinc/80/50/68/527805068.db2.gz QMQVWNMIESDFTK-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410978443 527827969 /nfs/dbraw/zinc/82/79/69/527827969.db2.gz LFUPSXPSZZXJEL-ULQDDVLXSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410978446 527828655 /nfs/dbraw/zinc/82/86/55/527828655.db2.gz LFUPSXPSZZXJEL-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413034440 528108350 /nfs/dbraw/zinc/10/83/50/528108350.db2.gz MPMZYONCXSQZEW-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000410839569 528147773 /nfs/dbraw/zinc/14/77/73/528147773.db2.gz CNMNRQFSZHYXKR-YESZJQIVSA-N 2 0 366.506 0.108 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410883693 528890704 /nfs/dbraw/zinc/89/07/04/528890704.db2.gz IJWCFXFRGWNYGR-UHFFFAOYSA-N 2 0 356.511 0.354 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967827 528978382 /nfs/dbraw/zinc/97/83/82/528978382.db2.gz IQOMTQPMVQTWGG-FQEVSTJZSA-N 2 0 358.486 0.716 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000263239672 529037334 /nfs/dbraw/zinc/03/73/34/529037334.db2.gz KSWJVCIDDNNSRZ-INIZCTEOSA-N 2 0 354.495 0.237 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C2)CC1 ZINC000410886363 529150837 /nfs/dbraw/zinc/15/08/37/529150837.db2.gz NORXAFFXWRGJIL-QGZVFWFLSA-N 2 0 367.538 0.023 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419698728 535068808 /nfs/dbraw/zinc/06/88/08/535068808.db2.gz ZTHIZQKFFODWSY-CQSZACIVSA-N 2 0 356.536 0.564 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419393696 535083605 /nfs/dbraw/zinc/08/36/05/535083605.db2.gz NQIAZRYZULGKLN-UHFFFAOYSA-N 2 0 358.486 0.808 20 0 FCADRP CCCN(C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000419762057 535189679 /nfs/dbraw/zinc/18/96/79/535189679.db2.gz REOSSSQRLKAONV-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000415347016 535204548 /nfs/dbraw/zinc/20/45/48/535204548.db2.gz IHXGIJUOPXEZNV-MRXNPFEDSA-N 2 0 373.501 0.976 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419282717 535219101 /nfs/dbraw/zinc/21/91/01/535219101.db2.gz IOSHZBXLEJKFIM-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000423725004 535438477 /nfs/dbraw/zinc/43/84/77/535438477.db2.gz SCWBZZGEUUAMMA-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419819095 535462665 /nfs/dbraw/zinc/46/26/65/535462665.db2.gz NBCXVXCASAMGFH-KRWDZBQOSA-N 2 0 362.474 0.674 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419591561 535502331 /nfs/dbraw/zinc/50/23/31/535502331.db2.gz RILYHERJUGVPTR-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423465246 535523930 /nfs/dbraw/zinc/52/39/30/535523930.db2.gz HKRFDHVBQIDNIV-ZDUSSCGKSA-N 2 0 366.428 0.930 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423521332 535543017 /nfs/dbraw/zinc/54/30/17/535543017.db2.gz LAAOAKDBNNTVCD-GDBMZVCRSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000423641626 535543051 /nfs/dbraw/zinc/54/30/51/535543051.db2.gz HPMJFSFYXBYOMT-HNNXBMFYSA-N 2 0 354.495 0.286 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423436689 535549586 /nfs/dbraw/zinc/54/95/86/535549586.db2.gz FOQKPNZOKQKDEO-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000418858834 535668714 /nfs/dbraw/zinc/66/87/14/535668714.db2.gz KEGINOJXFMSIDX-DLBZAZTESA-N 2 0 362.474 0.290 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])CC(C)C ZINC000419128215 535669146 /nfs/dbraw/zinc/66/91/46/535669146.db2.gz VOLOYEVIKIAXGO-IKGGRYGDSA-N 2 0 370.538 0.824 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419837647 535709608 /nfs/dbraw/zinc/70/96/08/535709608.db2.gz WXBLKEPRVUNTOM-IAGOWNOFSA-N 2 0 369.554 0.208 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415301692 535750524 /nfs/dbraw/zinc/75/05/24/535750524.db2.gz BRQXXMGUQUTTOC-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419661718 535839109 /nfs/dbraw/zinc/83/91/09/535839109.db2.gz MXERRYSRLWNZGE-AEFFLSMTSA-N 2 0 374.485 0.454 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000419666258 535839484 /nfs/dbraw/zinc/83/94/84/535839484.db2.gz VQSJLJNPPLTUEB-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423362001 535868421 /nfs/dbraw/zinc/86/84/21/535868421.db2.gz HMGJSAIWJCXVLM-LSDHHAIUSA-N 2 0 364.515 0.706 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cn1 ZINC000430792407 535883089 /nfs/dbraw/zinc/88/30/89/535883089.db2.gz RDDUGHAZWRNDDZ-CVEARBPZSA-N 2 0 364.494 0.797 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000419655021 535902743 /nfs/dbraw/zinc/90/27/43/535902743.db2.gz HBSVKHQKTIEMPT-MRXNPFEDSA-N 2 0 362.474 0.154 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000453942231 535906653 /nfs/dbraw/zinc/90/66/53/535906653.db2.gz VWSNBCXTJDOPGT-WMLDXEAASA-N 2 0 360.458 0.728 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000419714872 535927751 /nfs/dbraw/zinc/92/77/51/535927751.db2.gz USISVFPFGUZRCJ-FQEVSTJZSA-N 2 0 358.486 0.619 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000419227985 535944095 /nfs/dbraw/zinc/94/40/95/535944095.db2.gz LOBWMLKTTAMUEI-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419407879 536100700 /nfs/dbraw/zinc/10/07/00/536100700.db2.gz LKNDJJHKDVEVJU-GOSISDBHSA-N 2 0 358.486 0.889 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000419909248 536123279 /nfs/dbraw/zinc/12/32/79/536123279.db2.gz FZNVKPLAMKVHQZ-CJNGLKHVSA-N 2 0 350.438 0.660 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000419409263 536349484 /nfs/dbraw/zinc/34/94/84/536349484.db2.gz MVHUJFXSFNJCRQ-MRXNPFEDSA-N 2 0 354.495 0.252 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000419400136 536369248 /nfs/dbraw/zinc/36/92/48/536369248.db2.gz LHVHMLIVEZLFAI-RYQLBKOJSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415261571 536416786 /nfs/dbraw/zinc/41/67/86/536416786.db2.gz DSPLRCSDKPHYJZ-MRXNPFEDSA-N 2 0 359.474 0.322 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419653678 536417092 /nfs/dbraw/zinc/41/70/92/536417092.db2.gz FTUAWHQPDAHDON-INIZCTEOSA-N 2 0 362.474 0.106 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419769852 536481624 /nfs/dbraw/zinc/48/16/24/536481624.db2.gz WGOPUQOLCBRWGH-ROUUACIJSA-N 2 0 374.485 0.199 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419751276 536746952 /nfs/dbraw/zinc/74/69/52/536746952.db2.gz KEYICNMVKGBXDA-GDBMZVCRSA-N 2 0 368.522 0.626 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419894814 536776295 /nfs/dbraw/zinc/77/62/95/536776295.db2.gz RIKYGUZMAWIIRA-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP CC[C@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1CCOC ZINC000433405212 546921916 /nfs/dbraw/zinc/92/19/16/546921916.db2.gz DFWFLSFVTJBBJL-LSDHHAIUSA-N 2 0 350.467 0.385 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940993 547075391 /nfs/dbraw/zinc/07/53/91/547075391.db2.gz RFRLFXVNHYAUCX-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000549966118 547075894 /nfs/dbraw/zinc/07/58/94/547075894.db2.gz YJFAZQUYSAIYOB-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330383 547082455 /nfs/dbraw/zinc/08/24/55/547082455.db2.gz AXOMSMAAIQAZCT-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550665739 547095734 /nfs/dbraw/zinc/09/57/34/547095734.db2.gz NJPWSYKAUCQIRR-INIZCTEOSA-N 2 0 353.488 0.758 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000550687423 547097659 /nfs/dbraw/zinc/09/76/59/547097659.db2.gz FXELZYDFMDGPKA-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550838230 547109714 /nfs/dbraw/zinc/10/97/14/547109714.db2.gz AFNYGRMKZQSDRC-RHSMWYFYSA-N 2 0 356.536 0.483 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550902974 547113669 /nfs/dbraw/zinc/11/36/69/547113669.db2.gz XDJUWZOAJPBUQV-CABCVRRESA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000550958351 547117643 /nfs/dbraw/zinc/11/76/43/547117643.db2.gz SKBWJTACQNQJLH-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551213177 547134105 /nfs/dbraw/zinc/13/41/05/547134105.db2.gz IYERLSGOPCJCOM-VKJFTORMSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+]1CCCC1 ZINC000551471083 547147416 /nfs/dbraw/zinc/14/74/16/547147416.db2.gz ZMDMDFUIZJRJAJ-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1onc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000550684331 547379407 /nfs/dbraw/zinc/37/94/07/547379407.db2.gz SLWUSSORRFLNJE-UHFFFAOYSA-N 2 0 351.451 0.714 20 0 FCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000738450321 598523565 /nfs/dbraw/zinc/52/35/65/598523565.db2.gz SYIXPLRBQSJSQD-CYBMUJFWSA-N 2 0 357.466 0.569 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882872 598530058 /nfs/dbraw/zinc/53/00/58/598530058.db2.gz USAOZUIWUSNSAN-UONOGXRCSA-N 2 0 359.482 0.815 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736767084 598701907 /nfs/dbraw/zinc/70/19/07/598701907.db2.gz KXUPFPMURVNOJA-UHFFFAOYSA-N 2 0 359.478 0.751 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000951095797 674448957 /nfs/dbraw/zinc/44/89/57/674448957.db2.gz UWVUZYXJLNOOGB-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736769870 599485159 /nfs/dbraw/zinc/48/51/59/599485159.db2.gz VECYIHJWBNZCGE-UHFFFAOYSA-N 2 0 369.477 0.630 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000954413270 674497116 /nfs/dbraw/zinc/49/71/16/674497116.db2.gz XDHCPGNKCAUHOI-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000955342542 674511175 /nfs/dbraw/zinc/51/11/75/674511175.db2.gz YUIQVCBTKLAYJY-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821267768 606266064 /nfs/dbraw/zinc/26/60/64/606266064.db2.gz QSZRNSACVWHSRI-AWEZNQCLSA-N 2 0 360.466 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000957591630 674546594 /nfs/dbraw/zinc/54/65/94/674546594.db2.gz LZXWDOFYEHCUKN-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821626949 606854710 /nfs/dbraw/zinc/85/47/10/606854710.db2.gz GWTBIJVYDBUHJQ-QGZVFWFLSA-N 2 0 359.478 0.517 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958166635 674560115 /nfs/dbraw/zinc/56/01/15/674560115.db2.gz VTPILQJCDPBAGO-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000969705700 663190107 /nfs/dbraw/zinc/19/01/07/663190107.db2.gz ARECVYLGYMRNQL-VNQPRFMTSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000725715752 663351650 /nfs/dbraw/zinc/35/16/50/663351650.db2.gz YRXMWOIXDYJFSA-ROUUACIJSA-N 2 0 352.523 0.726 20 0 FCADRP CC[N@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891479829 663408740 /nfs/dbraw/zinc/40/87/40/663408740.db2.gz BHFWPWFPNBMPOY-KFWWJZLASA-N 2 0 351.451 0.047 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891528258 663412218 /nfs/dbraw/zinc/41/22/18/663412218.db2.gz NYQZJLBBBDWTBC-FRRDWIJNSA-N 2 0 351.417 0.401 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000891930687 663451412 /nfs/dbraw/zinc/45/14/12/663451412.db2.gz YQXPRWUKHWBPKA-OAHLLOKOSA-N 2 0 353.511 0.618 20 0 FCADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891971096 663459456 /nfs/dbraw/zinc/45/94/56/663459456.db2.gz RAWQZBAOPFXWOB-UHFFFAOYSA-N 2 0 353.511 0.428 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891977219 663460505 /nfs/dbraw/zinc/46/05/05/663460505.db2.gz ZFGXZDOLRUQBGQ-QGZVFWFLSA-N 2 0 353.511 0.082 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000892001053 663465642 /nfs/dbraw/zinc/46/56/42/663465642.db2.gz UFAMAXXGLHIEHG-OAHLLOKOSA-N 2 0 351.495 0.501 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000892263202 663508195 /nfs/dbraw/zinc/50/81/95/663508195.db2.gz LOSJNUSSMVPDFB-QAPCUYQASA-N 2 0 351.495 0.561 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000947507571 663519281 /nfs/dbraw/zinc/51/92/81/663519281.db2.gz PXMMFXCAZDYSNP-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295729 663523672 /nfs/dbraw/zinc/52/36/72/663523672.db2.gz SEVODTOZUPMFJM-IKGGRYGDSA-N 2 0 353.511 0.223 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001023372530 663620040 /nfs/dbraw/zinc/62/00/40/663620040.db2.gz UFISJTCJQTYQIV-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892431324 663893310 /nfs/dbraw/zinc/89/33/10/663893310.db2.gz WXCXPVYDPZABJM-LXFSFDBISA-N 2 0 351.451 0.080 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442058 663902696 /nfs/dbraw/zinc/90/26/96/663902696.db2.gz QUKJUHOCHDXRCB-BZUAXINKSA-N 2 0 351.495 0.452 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892446691 663911511 /nfs/dbraw/zinc/91/15/11/663911511.db2.gz OAPHMWUZAWHGEZ-WKILWMFISA-N 2 0 353.511 0.700 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649377 664058799 /nfs/dbraw/zinc/05/87/99/664058799.db2.gz LDAMPWZVZLYQNL-JKSUJKDBSA-N 2 0 353.511 0.570 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000892651517 664059076 /nfs/dbraw/zinc/05/90/76/664059076.db2.gz ZJJYHDAZCMNMEK-ARFHVFGLSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000973331350 664098384 /nfs/dbraw/zinc/09/83/84/664098384.db2.gz RFYCTIRNYYSHNN-KLHDSHLOSA-N 2 0 350.507 0.822 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C(F)(F)F ZINC000892761463 664138158 /nfs/dbraw/zinc/13/81/58/664138158.db2.gz WKQUZIVBTRWCLO-JHJVBQTASA-N 2 0 364.412 0.924 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892878419 664152192 /nfs/dbraw/zinc/15/21/92/664152192.db2.gz SQYKTWPPGVSYJX-NSHDSACASA-N 2 0 353.492 0.515 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025793925 664191964 /nfs/dbraw/zinc/19/19/64/664191964.db2.gz BKCNXKIGMISCBD-NEMWNAMBSA-N 2 0 369.531 0.198 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@H]32)O1 ZINC001025818491 664195513 /nfs/dbraw/zinc/19/55/13/664195513.db2.gz XMTWWYWSUUTZDJ-HTPGKPQGSA-N 2 0 351.491 0.711 20 0 FCADRP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000893054025 664202005 /nfs/dbraw/zinc/20/20/05/664202005.db2.gz UDINOCFLGIBANA-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000893237178 664218170 /nfs/dbraw/zinc/21/81/70/664218170.db2.gz FORCHFFBSGGWRW-JENIJYKNSA-N 2 0 351.539 0.853 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423617639 664446362 /nfs/dbraw/zinc/44/63/62/664446362.db2.gz WCLWCIMSAKYCSN-SFHVURJKSA-N 2 0 364.515 0.993 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978892372 664449368 /nfs/dbraw/zinc/44/93/68/664449368.db2.gz YGQWZFDPCHTJPC-NQNKBUKLSA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981379230 664824528 /nfs/dbraw/zinc/82/45/28/664824528.db2.gz LMKMGHQVDNRVJT-BHYGNILZSA-N 2 0 350.507 0.681 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981649686 664834454 /nfs/dbraw/zinc/83/44/54/664834454.db2.gz LGIYICOYBRNGGS-USXIJHARSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205252 664837678 /nfs/dbraw/zinc/83/76/78/664837678.db2.gz CRBJCXVNLLRYMB-WBVHZDCISA-N 2 0 352.504 0.637 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001028551389 664901894 /nfs/dbraw/zinc/90/18/94/664901894.db2.gz OAAOBJJGEDFZCQ-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000982943500 664936116 /nfs/dbraw/zinc/93/61/16/664936116.db2.gz WGIMHCIWTKSDKS-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000924949658 664942262 /nfs/dbraw/zinc/94/22/62/664942262.db2.gz HCOINQWZUSTWFQ-CVEARBPZSA-N 2 0 360.568 0.520 20 0 FCADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924964802 664947210 /nfs/dbraw/zinc/94/72/10/664947210.db2.gz DWWANFROYSYUKJ-MRXNPFEDSA-N 2 0 360.568 0.664 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000925000562 664956251 /nfs/dbraw/zinc/95/62/51/664956251.db2.gz NZPXUAFZRLQZJE-HZPDHXFCSA-N 2 0 350.463 0.646 20 0 FCADRP CC(C)NC(=O)CNC(=S)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000727280673 665031320 /nfs/dbraw/zinc/03/13/20/665031320.db2.gz IDVHNQJAEWULEV-UHFFFAOYSA-N 2 0 350.492 0.644 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000987964735 665271791 /nfs/dbraw/zinc/27/17/91/665271791.db2.gz WHDRMQYVJBULEF-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988084561 665274481 /nfs/dbraw/zinc/27/44/81/665274481.db2.gz FEFWJZWGCQZQOV-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000925272801 665288048 /nfs/dbraw/zinc/28/80/48/665288048.db2.gz AKESNVPCNCJBKF-HNNXBMFYSA-N 2 0 361.552 0.871 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000988783689 665314647 /nfs/dbraw/zinc/31/46/47/665314647.db2.gz WTNZMDYNNXXAII-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353754 666018167 /nfs/dbraw/zinc/01/81/67/666018167.db2.gz JKZHKZNTLFLUMJ-WMZOPIPTSA-N 2 0 351.447 0.320 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000907041432 666088592 /nfs/dbraw/zinc/08/85/92/666088592.db2.gz AALROIVZTPKBGO-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000907046408 666092411 /nfs/dbraw/zinc/09/24/11/666092411.db2.gz DWDQUGAJUGCTMN-MSOLQXFVSA-N 2 0 352.523 0.364 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000907046411 666092429 /nfs/dbraw/zinc/09/24/29/666092429.db2.gz DWDQUGAJUGCTMN-ZWKOTPCHSA-N 2 0 352.523 0.364 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000907202861 666106456 /nfs/dbraw/zinc/10/64/56/666106456.db2.gz KZTYIFLKBJXXNR-KRWDZBQOSA-N 2 0 353.507 0.794 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000910993631 666302990 /nfs/dbraw/zinc/30/29/90/666302990.db2.gz SZFWZCXLABIVSL-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911336795 666335085 /nfs/dbraw/zinc/33/50/85/666335085.db2.gz NNNWICWKFRSMIH-HZPDHXFCSA-N 2 0 352.479 0.004 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000911533172 666363131 /nfs/dbraw/zinc/36/31/31/666363131.db2.gz IYNGPMIYUYRQRG-HDICACEKSA-N 2 0 354.539 0.970 20 0 FCADRP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000911692966 666371365 /nfs/dbraw/zinc/37/13/65/666371365.db2.gz CRUGZAMIJLRUBC-HNNXBMFYSA-N 2 0 369.307 0.730 20 0 FCADRP CN1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000911880642 666379623 /nfs/dbraw/zinc/37/96/23/666379623.db2.gz WUAQEBURASXIHD-GJZGRUSLSA-N 2 0 369.307 0.810 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938782213 666484526 /nfs/dbraw/zinc/48/45/26/666484526.db2.gz ROLIULOEUXNULJ-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000991429502 666504491 /nfs/dbraw/zinc/50/44/91/666504491.db2.gz NXIZKWQZGNMCSN-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)CC[N@@H+]1C ZINC000991492678 666539605 /nfs/dbraw/zinc/53/96/05/666539605.db2.gz OKPTUEBRXOFDSU-GVDBMIGSSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC[NH+]1C ZINC000992404967 666636605 /nfs/dbraw/zinc/63/66/05/666636605.db2.gz FICSTCSFEFVNFL-MWDXBVQZSA-N 2 0 350.507 0.774 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000732816490 666902368 /nfs/dbraw/zinc/90/23/68/666902368.db2.gz YQBVZRIHOWKXEE-UHFFFAOYSA-N 2 0 355.460 0.471 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993444434 666905556 /nfs/dbraw/zinc/90/55/56/666905556.db2.gz HAOROMGEFCCVTO-YIOZNXECSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000996602489 666943197 /nfs/dbraw/zinc/94/31/97/666943197.db2.gz JBADVMOUWGBHOK-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000734666584 666978172 /nfs/dbraw/zinc/97/81/72/666978172.db2.gz DYZLPFAYODHPGF-KRWDZBQOSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994218690 666979369 /nfs/dbraw/zinc/97/93/69/666979369.db2.gz MGZZZDDTHWNVOK-HYVNUMGLSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994220416 666979592 /nfs/dbraw/zinc/97/95/92/666979592.db2.gz WATZGSIQTSOOHW-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000916664462 667016271 /nfs/dbraw/zinc/01/62/71/667016271.db2.gz YMJXRRREGGHPLY-JKSUJKDBSA-N 2 0 369.535 0.634 20 0 FCADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2)[NH+](C)C ZINC000999150259 667228873 /nfs/dbraw/zinc/22/88/73/667228873.db2.gz LZTMZPKDBLIVEZ-DRRXZNNHSA-N 2 0 350.507 0.915 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](C3CCOCC3)C1)C2=O ZINC000754781420 667610307 /nfs/dbraw/zinc/61/03/07/667610307.db2.gz DFCMSMHSUYLKKA-HNNXBMFYSA-N 2 0 350.463 0.709 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001033100216 667673462 /nfs/dbraw/zinc/67/34/62/667673462.db2.gz VONQCRHCHXVCLJ-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001033100272 667673931 /nfs/dbraw/zinc/67/39/31/667673931.db2.gz XIBJHKPSXAECGI-HRCADAONSA-N 2 0 351.495 0.275 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923535197 667846395 /nfs/dbraw/zinc/84/63/95/667846395.db2.gz ZJJANZDRPQUKAK-MJGOQNOKSA-N 2 0 352.523 0.677 20 0 FCADRP C[NH+]1CCC(CNC(=S)NCCC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000760467536 667850474 /nfs/dbraw/zinc/85/04/74/667850474.db2.gz FYIFQHDHOMKAQW-UHFFFAOYSA-N 2 0 355.552 0.380 20 0 FCADRP C[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000742532473 668037028 /nfs/dbraw/zinc/03/70/28/668037028.db2.gz MITNQERHPNJBDI-UWVGGRQHSA-N 2 0 358.380 0.390 20 0 FCADRP COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000788619207 668835318 /nfs/dbraw/zinc/83/53/18/668835318.db2.gz GPHDLSRKIICRJV-UHFFFAOYSA-N 2 0 357.520 0.993 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819063293 668975820 /nfs/dbraw/zinc/97/58/20/668975820.db2.gz ZDWQUWDEJWDCEX-KRWDZBQOSA-N 2 0 369.531 0.739 20 0 FCADRP CCS(=O)(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000819366932 668999582 /nfs/dbraw/zinc/99/95/82/668999582.db2.gz BXZHSADTNVHIJJ-UHFFFAOYSA-N 2 0 367.515 0.908 20 0 FCADRP C[NH2+]CCc1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000822941905 669307975 /nfs/dbraw/zinc/30/79/75/669307975.db2.gz ORXSVURLPWEVRG-UHFFFAOYSA-N 2 0 367.475 0.729 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806597194 669422377 /nfs/dbraw/zinc/42/23/77/669422377.db2.gz FANXVGHEWDAVDV-UHFFFAOYSA-N 2 0 369.897 0.346 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000965937326 675112195 /nfs/dbraw/zinc/11/21/95/675112195.db2.gz CXQJJHHZWNLXTQ-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000104102357 670530986 /nfs/dbraw/zinc/53/09/86/670530986.db2.gz OUCVDZGLBSMMND-UHFFFAOYSA-N 2 0 367.471 0.907 20 0 FCADRP C[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000841725327 670606050 /nfs/dbraw/zinc/60/60/50/670606050.db2.gz MHUFGOHGZFVEKF-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000842015799 670625858 /nfs/dbraw/zinc/62/58/58/670625858.db2.gz NMTGHWYJXHRGPT-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842050205 670630289 /nfs/dbraw/zinc/63/02/89/670630289.db2.gz PZRLSIYRVVUSRY-RCJHGTSTSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)C2=O ZINC000842619128 670702954 /nfs/dbraw/zinc/70/29/54/670702954.db2.gz UHMGARYZSMYIOT-LSDHHAIUSA-N 2 0 350.463 0.851 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000843263528 670790530 /nfs/dbraw/zinc/79/05/30/670790530.db2.gz XYHOELVXZYNUAU-HOTGVXAUSA-N 2 0 354.495 0.116 20 0 FCADRP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)CC(C)(C)C[NH3+] ZINC000843355275 670804733 /nfs/dbraw/zinc/80/47/33/670804733.db2.gz PFQPETROVWNYRY-UHFFFAOYSA-N 2 0 353.467 0.579 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)S(C)(=O)=O ZINC000843363618 670807330 /nfs/dbraw/zinc/80/73/30/670807330.db2.gz CTRRWKHGOQQNHL-UHFFFAOYSA-N 2 0 374.551 0.238 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364945 670807915 /nfs/dbraw/zinc/80/79/15/670807915.db2.gz WZKPHDGTSUUJIV-CHWSQXEVSA-N 2 0 351.451 0.332 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844171230 670903983 /nfs/dbraw/zinc/90/39/83/670903983.db2.gz NFZSEJNOEPIKLJ-JKSUJKDBSA-N 2 0 352.479 0.004 20 0 FCADRP COC(=O)c1cc(C)c(F)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000848600039 671285658 /nfs/dbraw/zinc/28/56/58/671285658.db2.gz IQOXILUFYCUUEQ-UHFFFAOYSA-N 2 0 361.439 0.609 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(CCS(=O)(=O)CCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000109805531 671431925 /nfs/dbraw/zinc/43/19/25/671431925.db2.gz WMHJFVUCIWPMHB-HDICACEKSA-N 2 0 374.595 0.453 20 0 FCADRP O=C(N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000852930676 671532798 /nfs/dbraw/zinc/53/27/98/671532798.db2.gz MFPPSLNZUSJBBR-SUMWQHHRSA-N 2 0 350.442 0.227 20 0 FCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)C1 ZINC000903432662 675929696 /nfs/dbraw/zinc/92/96/96/675929696.db2.gz JQNBWCHLBCBICT-UONOGXRCSA-N 2 0 363.487 0.997 20 0 FCADRP CC(C)(C)NC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510267 675935760 /nfs/dbraw/zinc/93/57/60/675935760.db2.gz FRKJLCFFCNCBDE-GASCZTMLSA-N 2 0 351.495 0.511 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000861739736 671989231 /nfs/dbraw/zinc/98/92/31/671989231.db2.gz LGWIYPSIDWQGHQ-AWEZNQCLSA-N 2 0 356.536 0.660 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000861766683 671993203 /nfs/dbraw/zinc/99/32/03/671993203.db2.gz IQGRKGLOIRQFCB-HWOWSKLDSA-N 2 0 352.479 0.004 20 0 FCADRP O=C1[C@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574470 672139870 /nfs/dbraw/zinc/13/98/70/672139870.db2.gz JICZJEIGWFGYQY-QZTJIDSGSA-N 2 0 351.491 0.857 20 0 FCADRP O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000864395032 672194038 /nfs/dbraw/zinc/19/40/38/672194038.db2.gz IJWLEUADZPUBCR-JSGCOSHPSA-N 2 0 355.389 0.619 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055347835 676017074 /nfs/dbraw/zinc/01/70/74/676017074.db2.gz FQRWANZWNGTLDN-WCXIOVBPSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]3C2)CC[N@@H+]1C ZINC001055357440 676017561 /nfs/dbraw/zinc/01/75/61/676017561.db2.gz JPEXOOAASXRPGJ-WCXIOVBPSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(F)F)CC2)CC[N@@H+]1C ZINC001055583495 676025384 /nfs/dbraw/zinc/02/53/84/676025384.db2.gz QAPSDFYUMABGNM-UONOGXRCSA-N 2 0 360.449 0.679 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297742 672611195 /nfs/dbraw/zinc/61/11/95/672611195.db2.gz UXCYCESWJGWCCL-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000873311234 672714051 /nfs/dbraw/zinc/71/40/51/672714051.db2.gz PQDHZLRMZLQQLY-HNNXBMFYSA-N 2 0 350.467 0.725 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874456940 672785695 /nfs/dbraw/zinc/78/56/95/672785695.db2.gz POMVLRWNRBOFED-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000874468289 672787228 /nfs/dbraw/zinc/78/72/28/672787228.db2.gz WUDUKBOMADVGSK-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420538 676071374 /nfs/dbraw/zinc/07/13/74/676071374.db2.gz KSDOQOLXVSYQME-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001421440 676071619 /nfs/dbraw/zinc/07/16/19/676071619.db2.gz YARQBSPAWKHXGU-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001050328186 676081733 /nfs/dbraw/zinc/08/17/33/676081733.db2.gz IANSWYIRXLGASI-SMLCLMEVSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001050328185 676081790 /nfs/dbraw/zinc/08/17/90/676081790.db2.gz IANSWYIRXLGASI-QUSNUVHPSA-N 2 0 350.507 0.870 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876846736 672982975 /nfs/dbraw/zinc/98/29/75/672982975.db2.gz FMLOOSOUCCPEES-ZDUSSCGKSA-N 2 0 352.460 0.587 20 0 FCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000877028171 672994800 /nfs/dbraw/zinc/99/48/00/672994800.db2.gz ZWKFFZYEYCKCBD-HNNXBMFYSA-N 2 0 352.504 0.592 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248664 673107161 /nfs/dbraw/zinc/10/71/61/673107161.db2.gz WQKQEQIJXFZACS-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624411 676107035 /nfs/dbraw/zinc/10/70/35/676107035.db2.gz PKRXHNGFKDPIDT-MGPQQGTHSA-N 2 0 353.492 0.504 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000888870080 673219291 /nfs/dbraw/zinc/21/92/91/673219291.db2.gz LFQCMTCNZUPUCV-HNNXBMFYSA-N 2 0 353.511 0.870 20 0 FCADRP CCc1nn(C)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000882083209 673282721 /nfs/dbraw/zinc/28/27/21/673282721.db2.gz ZUYUHVLSXOVFDV-UHFFFAOYSA-N 2 0 357.524 0.629 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883439367 673375567 /nfs/dbraw/zinc/37/55/67/673375567.db2.gz PTZDIZUQNXLVOL-YHUYYLMFSA-N 2 0 351.447 0.582 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883479267 673378729 /nfs/dbraw/zinc/37/87/29/673378729.db2.gz SMUGDUBBWIRRKS-UHFFFAOYSA-N 2 0 369.535 0.968 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000883659463 673390006 /nfs/dbraw/zinc/39/00/06/673390006.db2.gz JDVPVMAUBFTDHX-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900750 673402218 /nfs/dbraw/zinc/40/22/18/673402218.db2.gz QBCCCZZTRXNYKY-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000884431303 673453103 /nfs/dbraw/zinc/45/31/03/673453103.db2.gz QCYVLNKRUKBELM-ILXRZTDVSA-N 2 0 352.479 0.780 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560394 673462286 /nfs/dbraw/zinc/46/22/86/673462286.db2.gz WULPOIOTZSLCFG-HUUCEWRRSA-N 2 0 352.479 0.086 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000884576998 673463524 /nfs/dbraw/zinc/46/35/24/673463524.db2.gz VJTWRRVGPNJZKL-JKSUJKDBSA-N 2 0 350.438 0.755 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884617170 673466206 /nfs/dbraw/zinc/46/62/06/673466206.db2.gz IYIVTHNCNALDPK-XQQFMLRXSA-N 2 0 364.412 0.573 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)[N@H+](C)C1CC1 ZINC000884617917 673466215 /nfs/dbraw/zinc/46/62/15/673466215.db2.gz URKDKHYVMBNGOO-SNVBAGLBSA-N 2 0 351.476 0.085 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CC[N@H+](C)CC1 ZINC000884623513 673466960 /nfs/dbraw/zinc/46/69/60/673466960.db2.gz FWMPUSVELCETGH-WCFLWFBJSA-N 2 0 362.396 0.349 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000884623799 673466976 /nfs/dbraw/zinc/46/69/76/673466976.db2.gz OWVSJAUHLUHSBV-LIRRHRJNSA-N 2 0 350.507 0.977 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000884631691 673468179 /nfs/dbraw/zinc/46/81/79/673468179.db2.gz SHOLXHCVPSPBCL-LBPRGKRZSA-N 2 0 363.487 0.087 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000884638954 673468696 /nfs/dbraw/zinc/46/86/96/673468696.db2.gz MUSNEMUYKZQVPS-KGLIPLIRSA-N 2 0 354.520 0.412 20 0 FCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884649753 673469805 /nfs/dbraw/zinc/46/98/05/673469805.db2.gz NSRLVYJXFCVSDE-TZMCWYRMSA-N 2 0 358.433 0.481 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664089 673470724 /nfs/dbraw/zinc/47/07/24/673470724.db2.gz CNRUTMOSCLXQIP-CYBMUJFWSA-N 2 0 358.433 0.338 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664740 673470736 /nfs/dbraw/zinc/47/07/36/673470736.db2.gz TZQJUCIRXDMLRK-FZKCQIBNSA-N 2 0 350.507 0.870 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000884716696 673476149 /nfs/dbraw/zinc/47/61/49/673476149.db2.gz GSHWCMDHSFVYLN-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884716883 673476158 /nfs/dbraw/zinc/47/61/58/673476158.db2.gz LNLVJGNMMFINIO-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884725924 673477902 /nfs/dbraw/zinc/47/79/02/673477902.db2.gz CJAWRUDHMRLALN-NUOMKFEWSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000884728363 673478265 /nfs/dbraw/zinc/47/82/65/673478265.db2.gz PFHDCKFXNMYFCD-UHFFFAOYSA-N 2 0 365.503 0.476 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)[NH2+]C1 ZINC000884876369 673487671 /nfs/dbraw/zinc/48/76/71/673487671.db2.gz AFWOBSIKOMIZMI-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884838 673488685 /nfs/dbraw/zinc/48/86/85/673488685.db2.gz MCQDQENPABYLDY-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[NH2+]C1 ZINC000884885285 673489050 /nfs/dbraw/zinc/48/90/50/673489050.db2.gz YPQLXTDJCIEAKF-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000884973948 673494890 /nfs/dbraw/zinc/49/48/90/673494890.db2.gz JMTUYYDIAYZGMR-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000884973951 673494917 /nfs/dbraw/zinc/49/49/17/673494917.db2.gz JMTUYYDIAYZGMR-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000884975711 673494977 /nfs/dbraw/zinc/49/49/77/673494977.db2.gz GLKVFFUMJNHCLH-IBGZPJMESA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974127 673494986 /nfs/dbraw/zinc/49/49/86/673494986.db2.gz NDQKCNKHESQPJT-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000884976704 673495288 /nfs/dbraw/zinc/49/52/88/673495288.db2.gz XUUUVFGWESRBDV-GDBMZVCRSA-N 2 0 354.495 0.188 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000884985847 673495948 /nfs/dbraw/zinc/49/59/48/673495948.db2.gz BZAZKJBQGBOZKA-CKGQUOQHSA-N 2 0 350.507 0.951 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000885275617 673511130 /nfs/dbraw/zinc/51/11/30/673511130.db2.gz GMTMYLCINRYKKK-KBPBESRZSA-N 2 0 358.433 0.434 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000885285391 673512201 /nfs/dbraw/zinc/51/22/01/673512201.db2.gz KVYBCWCBTMPOSN-ZIAGYGMSSA-N 2 0 358.433 0.434 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885291527 673513048 /nfs/dbraw/zinc/51/30/48/673513048.db2.gz OVDSATPWGKQNOE-ZIAGYGMSSA-N 2 0 360.449 0.680 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885294726 673513704 /nfs/dbraw/zinc/51/37/04/673513704.db2.gz JZTOFUINPBUCPH-CYBMUJFWSA-N 2 0 360.449 0.680 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC1 ZINC000887062708 673617280 /nfs/dbraw/zinc/61/72/80/673617280.db2.gz AYQFCHCYCUMTAB-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000887064970 673617707 /nfs/dbraw/zinc/61/77/07/673617707.db2.gz SOCWECPCGYHCLI-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCN(C(C)(C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925279209 673785748 /nfs/dbraw/zinc/78/57/48/673785748.db2.gz LZVQDSDEIDATSS-HNNXBMFYSA-N 2 0 351.495 0.419 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925570059 673793878 /nfs/dbraw/zinc/79/38/78/673793878.db2.gz UTGVLQPRYMDODS-WIHIRCLASA-N 2 0 369.531 0.546 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926203715 673816352 /nfs/dbraw/zinc/81/63/52/673816352.db2.gz YCCVDULZVNDCTP-HOTGVXAUSA-N 2 0 360.568 0.662 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926380092 673828061 /nfs/dbraw/zinc/82/80/61/673828061.db2.gz KVMPBLNZNIJJEJ-CQSZACIVSA-N 2 0 352.504 0.836 20 0 FCADRP COc1cc(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)ccc1OCC[NH+](C)C ZINC000927253030 673857507 /nfs/dbraw/zinc/85/75/07/673857507.db2.gz KDHCJUVFJQNDIH-ZDUSSCGKSA-N 2 0 350.419 0.622 20 0 FCADRP CCOCCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000927534692 673866462 /nfs/dbraw/zinc/86/64/62/673866462.db2.gz IQROLUBUIXGSKS-QGZVFWFLSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927638471 673873315 /nfs/dbraw/zinc/87/33/15/673873315.db2.gz BLMFSEFAHSDWLD-HLLBOEOZSA-N 2 0 354.495 0.336 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000929464670 673957735 /nfs/dbraw/zinc/95/77/35/673957735.db2.gz ODVGUSQQMZJTJS-QGZVFWFLSA-N 2 0 365.503 0.317 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001007375581 675288653 /nfs/dbraw/zinc/28/86/53/675288653.db2.gz FDCCPIDLZIFVDG-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001011209296 675376955 /nfs/dbraw/zinc/37/69/55/675376955.db2.gz TYAGQPOFHLGKQE-VVLHAWIVSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC[N@@H+]1C ZINC001011211782 675377322 /nfs/dbraw/zinc/37/73/22/675377322.db2.gz MEBPTLBALJEBTM-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC[N@@H+]1C ZINC001011211584 675377378 /nfs/dbraw/zinc/37/73/78/675377378.db2.gz BFYFMULXVYTWPX-BBWFWOEESA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001020170929 675435996 /nfs/dbraw/zinc/43/59/96/675435996.db2.gz DNGCYYFNCLPTNN-WRQOLXDDSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001020173970 675436418 /nfs/dbraw/zinc/43/64/18/675436418.db2.gz NOSIZKUPDPZPBL-LUKYLMHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@@H+]1C ZINC001020171874 675436437 /nfs/dbraw/zinc/43/64/37/675436437.db2.gz AOQNOPXZYGSMFN-OXGONZEZSA-N 2 0 350.507 0.963 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172168 675436617 /nfs/dbraw/zinc/43/66/17/675436617.db2.gz OYVIVJCMUDQTNN-KBUPBQIOSA-N 2 0 352.504 0.795 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001045445136 675654073 /nfs/dbraw/zinc/65/40/73/675654073.db2.gz UTBLNNCMUBJFOQ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001045445209 675654151 /nfs/dbraw/zinc/65/41/51/675654151.db2.gz ZHYFPGKHCYZELF-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)CC[N@@H+]1C ZINC001045671801 675656734 /nfs/dbraw/zinc/65/67/34/675656734.db2.gz IZUNVJOOMVZRPS-YESZJQIVSA-N 2 0 353.507 0.696 20 0 FCADRP COCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001045672007 675656811 /nfs/dbraw/zinc/65/68/11/675656811.db2.gz KPUVMXAEXQZYBR-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000900585542 675697021 /nfs/dbraw/zinc/69/70/21/675697021.db2.gz SVTGBXVOIZASLC-GOSISDBHSA-N 2 0 354.539 0.972 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900693493 675708092 /nfs/dbraw/zinc/70/80/92/675708092.db2.gz UNERQIBZWHCWTI-UHFFFAOYSA-N 2 0 350.511 0.543 20 0 FCADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299410 675780474 /nfs/dbraw/zinc/78/04/74/675780474.db2.gz PYQFTQYFQSRBAF-IAGOWNOFSA-N 2 0 351.491 0.689 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(CO)[nH]cc(OC)c2=O)C1 ZINC000902170155 675837418 /nfs/dbraw/zinc/83/74/18/675837418.db2.gz GQZQGKCEVQWCLW-AWEZNQCLSA-N 2 0 353.463 0.809 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897484890 1192186061 /nfs/dbraw/zinc/18/60/61/1192186061.db2.gz YAIRXIFHFJAAIO-JFIYKMOQSA-N 2 0 371.485 0.862 20 0 FCADRP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)c(C)n1 ZINC000969601928 1168024048 /nfs/dbraw/zinc/02/40/48/1168024048.db2.gz WKHDSHTVNCBWJF-XHSDSOJGSA-N 2 0 360.458 0.260 20 0 FCADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092527 1168161503 /nfs/dbraw/zinc/16/15/03/1168161503.db2.gz HCRYFTKSNMQRKY-MSOLQXFVSA-N 2 0 356.474 0.756 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104310922 1169884020 /nfs/dbraw/zinc/88/40/20/1169884020.db2.gz KFHIRSHEFSRNPM-KFWWJZLASA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001104322484 1169957908 /nfs/dbraw/zinc/95/79/08/1169957908.db2.gz MWOGDPSMIBARMO-FMKPAKJESA-N 2 0 366.510 0.269 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375084 1170158730 /nfs/dbraw/zinc/15/87/30/1170158730.db2.gz NBCKSQCANRCDNC-QCODTGAPSA-N 2 0 363.462 0.190 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)[C@@H]2C1 ZINC001021996476 1170369634 /nfs/dbraw/zinc/36/96/34/1170369634.db2.gz GZGIXQHMKQOLME-GVDBMIGSSA-N 2 0 371.485 0.601 20 0 FCADRP C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087158239 1170407720 /nfs/dbraw/zinc/40/77/20/1170407720.db2.gz SOOYHUSOSIKKJI-RDBSUJKOSA-N 2 0 361.446 0.364 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000891501184 1170695754 /nfs/dbraw/zinc/69/57/54/1170695754.db2.gz ITTRDZNKWFMANZ-UHFFFAOYSA-N 2 0 368.522 0.777 20 0 FCADRP CC(=O)NCCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691079233 1170730973 /nfs/dbraw/zinc/73/09/73/1170730973.db2.gz JOGMONGVOVGCRB-DJIMGWMZSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001691095796 1170801218 /nfs/dbraw/zinc/80/12/18/1170801218.db2.gz KYCNLSXKYCIYOI-MXASKKJJSA-N 2 0 350.507 0.727 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001691095513 1170801408 /nfs/dbraw/zinc/80/14/08/1170801408.db2.gz APACQESRSAVOKU-HDEZJCGLSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001691143708 1170840286 /nfs/dbraw/zinc/84/02/86/1170840286.db2.gz WOGPBUNXOLJMKC-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000891805011 1170881205 /nfs/dbraw/zinc/88/12/05/1170881205.db2.gz BHBHEUUXIYORQH-UHFFFAOYSA-N 2 0 361.490 0.802 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001691318780 1171087154 /nfs/dbraw/zinc/08/71/54/1171087154.db2.gz OFRUNYKCJFIYTR-QBPKDAKJSA-N 2 0 368.522 0.304 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691333455 1171125861 /nfs/dbraw/zinc/12/58/61/1171125861.db2.gz DRMFIVUXJMMPJM-BRWVUGGUSA-N 2 0 364.494 0.073 20 0 FCADRP C[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001691355841 1171193639 /nfs/dbraw/zinc/19/36/39/1171193639.db2.gz BHSZGLOQXCIUOS-OAGGEKHMSA-N 2 0 351.495 0.656 20 0 FCADRP NC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999351 1171456948 /nfs/dbraw/zinc/45/69/48/1171456948.db2.gz BLPOZFDEZBFHBM-CHWSQXEVSA-N 2 0 371.489 0.873 20 0 FCADRP [NH3+][C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000892030091 1171493822 /nfs/dbraw/zinc/49/38/22/1171493822.db2.gz BMNSRUCRNSXLOI-FPCVCCKLSA-N 2 0 359.430 0.263 20 0 FCADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000892041982 1171511943 /nfs/dbraw/zinc/51/19/43/1171511943.db2.gz MDNZJKSRDRQYDW-DXEWXGHRSA-N 2 0 373.457 0.783 20 0 FCADRP CC1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000892058345 1171539788 /nfs/dbraw/zinc/53/97/88/1171539788.db2.gz XOEVKNCCWQLSKO-KRWDZBQOSA-N 2 0 367.538 0.472 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892086076 1171557872 /nfs/dbraw/zinc/55/78/72/1171557872.db2.gz ICOYWMDNTXCMSW-BBWFWOEESA-N 2 0 371.441 0.366 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000892093959 1171574344 /nfs/dbraw/zinc/57/43/44/1171574344.db2.gz XZGKQVJMPNUZHX-MSOLQXFVSA-N 2 0 367.538 0.600 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892155788 1171658461 /nfs/dbraw/zinc/65/84/61/1171658461.db2.gz KGCCJYZOTJYTSF-CYBMUJFWSA-N 2 0 373.448 0.499 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000892212469 1171752367 /nfs/dbraw/zinc/75/23/67/1171752367.db2.gz WOCQERFQGMVIPD-XHSDSOJGSA-N 2 0 359.430 0.222 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC001022723648 1171817600 /nfs/dbraw/zinc/81/76/00/1171817600.db2.gz BIHXBEUYQWLCEH-XYJFISCASA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)C[C@H]32)C1 ZINC000972239087 1171878275 /nfs/dbraw/zinc/87/82/75/1171878275.db2.gz YSISKFZNLJHSKN-QGPMSJSTSA-N 2 0 367.453 0.959 20 0 FCADRP CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433772 1172143014 /nfs/dbraw/zinc/14/30/14/1172143014.db2.gz WXTGCOSWTSAZGC-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP CNC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001105471155 1192581146 /nfs/dbraw/zinc/58/11/46/1192581146.db2.gz WAFVVADECRGUHV-XZZQLLPFSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088621771 1192695756 /nfs/dbraw/zinc/69/57/56/1192695756.db2.gz SQBUIYCMPAYJHR-IKGGRYGDSA-N 2 0 365.522 0.854 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897544513 1192747272 /nfs/dbraw/zinc/74/72/72/1192747272.db2.gz ABONYHURTABFHV-QGZVFWFLSA-N 2 0 367.538 0.914 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000989390981 1192827183 /nfs/dbraw/zinc/82/71/83/1192827183.db2.gz PJZVMGLPVWYLML-YVSFHVDLSA-N 2 0 362.518 0.918 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000897716644 1192843550 /nfs/dbraw/zinc/84/35/50/1192843550.db2.gz HVSOETKOLNTFCG-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000898030004 1192855230 /nfs/dbraw/zinc/85/52/30/1192855230.db2.gz KRONQKPVCOIMEQ-JKSUJKDBSA-N 2 0 371.485 0.885 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000898165350 1192861836 /nfs/dbraw/zinc/86/18/36/1192861836.db2.gz GOISQTDTKVWHOS-WNRNVDISSA-N 2 0 362.518 0.729 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554756 1192874766 /nfs/dbraw/zinc/87/47/66/1192874766.db2.gz TVERWDBQQYWOBZ-LTIDMASMSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104482578 1179424613 /nfs/dbraw/zinc/42/46/13/1179424613.db2.gz XGLYIIQZCMUERE-HUUCEWRRSA-N 2 0 363.510 0.659 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001023375067 1179499521 /nfs/dbraw/zinc/49/95/21/1179499521.db2.gz HCZATKVHTNHGNR-QRQLOZEOSA-N 2 0 367.534 0.944 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1 ZINC001211601182 1179554392 /nfs/dbraw/zinc/55/43/92/1179554392.db2.gz DRXIFCZRAPVKPR-IPMKNSEASA-N 2 0 370.497 0.658 20 0 FCADRP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023451583 1179759134 /nfs/dbraw/zinc/75/91/34/1179759134.db2.gz QVLQSZFAVVDYBR-UWWQBHOKSA-N 2 0 363.506 0.776 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001211611492 1179896498 /nfs/dbraw/zinc/89/64/98/1179896498.db2.gz WXEYLBQVBLAZRT-YESZJQIVSA-N 2 0 364.465 0.736 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024122200 1180851973 /nfs/dbraw/zinc/85/19/73/1180851973.db2.gz QNUWJBOJIFQSES-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495541 1181345741 /nfs/dbraw/zinc/34/57/41/1181345741.db2.gz QVZIWPCVKBBMNR-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892497737 1181352344 /nfs/dbraw/zinc/35/23/44/1181352344.db2.gz WMCRHHMCJPRNOB-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP CCn1cc(CCN2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083275165 1181779453 /nfs/dbraw/zinc/77/94/53/1181779453.db2.gz REUDCBFOVKETQR-OKZBNKHCSA-N 2 0 361.490 0.309 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC12CC(O)C2 ZINC000892543515 1181845555 /nfs/dbraw/zinc/84/55/55/1181845555.db2.gz GIHAFGDWQBFAQU-TVRKMHQQSA-N 2 0 359.474 0.806 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001025001302 1181845875 /nfs/dbraw/zinc/84/58/75/1181845875.db2.gz OFQXAGCNOMRBEC-HZPDHXFCSA-N 2 0 366.506 0.033 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CCS(=O)(=O)CC1 ZINC001480976117 1181860170 /nfs/dbraw/zinc/86/01/70/1181860170.db2.gz URJLTMKMAIXLRO-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000973271353 1182178340 /nfs/dbraw/zinc/17/83/40/1182178340.db2.gz WPVCLFSLSOLLEN-MWQQHZPXSA-N 2 0 366.506 0.201 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599504 1182267666 /nfs/dbraw/zinc/26/76/66/1182267666.db2.gz SONZVMGHVXQYIS-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001104599668 1182268065 /nfs/dbraw/zinc/26/80/65/1182268065.db2.gz WKWGSEIJZIEJHM-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001104621596 1182291730 /nfs/dbraw/zinc/29/17/30/1182291730.db2.gz HPTXPEBVMVYBTI-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104622446 1182297714 /nfs/dbraw/zinc/29/77/14/1182297714.db2.gz XPGRRRSEUMRYBL-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892776104 1182497080 /nfs/dbraw/zinc/49/70/80/1182497080.db2.gz NAXSBSQSOQSIFI-QGZVFWFLSA-N 2 0 368.522 0.897 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892802443 1182511642 /nfs/dbraw/zinc/51/16/42/1182511642.db2.gz MQKYJXQOFCYWBW-IBGZPJMESA-N 2 0 359.518 0.980 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)C1=O ZINC001083284061 1182516603 /nfs/dbraw/zinc/51/66/03/1182516603.db2.gz MAWCWMZQWOGJQT-IXDOHACOSA-N 2 0 364.490 0.005 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892920153 1182579641 /nfs/dbraw/zinc/57/96/41/1182579641.db2.gz UBRSXLADIADAAU-DLBZAZTESA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523043 1182773942 /nfs/dbraw/zinc/77/39/42/1182773942.db2.gz ZOYXDYNWFCRKKY-LPHOPBHVSA-N 2 0 367.538 0.864 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052492 1182869525 /nfs/dbraw/zinc/86/95/25/1182869525.db2.gz FOOXRUPGSWUHQI-RCCFBDPRSA-N 2 0 365.522 0.271 20 0 FCADRP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000893052166 1182869829 /nfs/dbraw/zinc/86/98/29/1182869829.db2.gz CLDAVCFPZGKEIS-QGZVFWFLSA-N 2 0 365.522 0.273 20 0 FCADRP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893053050 1182870054 /nfs/dbraw/zinc/87/00/54/1182870054.db2.gz KHCIWSPSDMWWHL-KRWDZBQOSA-N 2 0 369.554 0.622 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104846748 1182954060 /nfs/dbraw/zinc/95/40/60/1182954060.db2.gz ICRJQWQAKYDFRN-IAGOWNOFSA-N 2 0 371.522 0.180 20 0 FCADRP C[C@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000728747369 1182961451 /nfs/dbraw/zinc/96/14/51/1182961451.db2.gz MKYYETLVORRAJZ-QGZVFWFLSA-N 2 0 365.522 0.810 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908034 1182990483 /nfs/dbraw/zinc/99/04/83/1182990483.db2.gz GABSWBCLNQUBIA-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104908335 1182991287 /nfs/dbraw/zinc/99/12/87/1182991287.db2.gz RYGHAZUUYXOUHM-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104909045 1182992637 /nfs/dbraw/zinc/99/26/37/1182992637.db2.gz UUQJHBRQOGEQNM-SOLBZPMBSA-N 2 0 364.534 0.929 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001104938636 1183012773 /nfs/dbraw/zinc/01/27/73/1183012773.db2.gz YYTABWVPHFSEDG-HUUCEWRRSA-N 2 0 363.510 0.924 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104938664 1183013144 /nfs/dbraw/zinc/01/31/44/1183013144.db2.gz AIVDRJPHFBWVOB-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000974186348 1183039554 /nfs/dbraw/zinc/03/95/54/1183039554.db2.gz KPRSFXHDYFQBNT-LHKMKVQPSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001105010742 1183068382 /nfs/dbraw/zinc/06/83/82/1183068382.db2.gz XODGWMGRLPJXQC-OAGGEKHMSA-N 2 0 364.490 0.161 20 0 FCADRP CCn1ncnc1C[NH2+]C1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001026514574 1183145782 /nfs/dbraw/zinc/14/57/82/1183145782.db2.gz JIXJYCXIZIENFM-PRLABOORSA-N 2 0 364.494 0.534 20 0 FCADRP CCOCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244233 1183153208 /nfs/dbraw/zinc/15/32/08/1183153208.db2.gz RLPQPCIYXDZYIQ-RHSMWYFYSA-N 2 0 364.494 0.518 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974468381 1183226097 /nfs/dbraw/zinc/22/60/97/1183226097.db2.gz MQOADZWLZAMARE-BRWVUGGUSA-N 2 0 360.502 0.626 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001691766611 1183243744 /nfs/dbraw/zinc/24/37/44/1183243744.db2.gz XVPWIQHIQQKXHS-RBSFLKMASA-N 2 0 356.511 0.291 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC[N@@H+]1C ZINC000974732301 1183510576 /nfs/dbraw/zinc/51/05/76/1183510576.db2.gz SHAVPBWVTXRPIT-QXDIGNSFSA-N 2 0 362.518 0.870 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975821909 1185819157 /nfs/dbraw/zinc/81/91/57/1185819157.db2.gz NIYYYOKVHKYMHE-BBWFWOEESA-N 2 0 360.502 0.626 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000978867307 1186018882 /nfs/dbraw/zinc/01/88/82/1186018882.db2.gz CVFBBVTUTLBKMX-WCXIOVBPSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001481469561 1186092795 /nfs/dbraw/zinc/09/27/95/1186092795.db2.gz UQLDGZBYIVGPDP-CEXWTWQISA-N 2 0 366.550 0.829 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211695215 1186214443 /nfs/dbraw/zinc/21/44/43/1186214443.db2.gz QJWXWOKJOSWPON-GBESFXJTSA-N 2 0 363.502 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001058850531 1186253552 /nfs/dbraw/zinc/25/35/52/1186253552.db2.gz UPPSMBHIMBCQSL-HZPDHXFCSA-N 2 0 370.538 0.242 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCCN(CC(=O)N1CCC1)C2 ZINC000982021942 1186629259 /nfs/dbraw/zinc/62/92/59/1186629259.db2.gz NLYUFVOXRLXCAD-HZPDHXFCSA-N 2 0 371.485 0.680 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1CC)[NH+](C)C ZINC001691498800 1186635589 /nfs/dbraw/zinc/63/55/89/1186635589.db2.gz BABNIJIKSHMJTQ-ZNMIVQPWSA-N 2 0 367.494 0.238 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000434582408 1187883537 /nfs/dbraw/zinc/88/35/37/1187883537.db2.gz ATCIXNVEVRQBJR-UHFFFAOYSA-N 2 0 367.494 0.098 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000983324924 1187920528 /nfs/dbraw/zinc/92/05/28/1187920528.db2.gz HPQBNVNFAYAUQC-YYIAUSFCSA-N 2 0 368.522 0.401 20 0 FCADRP C[NH+]1CC2(CN(C(=O)[C@H]([NH3+])CCCNC(=O)OCc3ccccc3)C2)C1 ZINC001269929934 1187940449 /nfs/dbraw/zinc/94/04/49/1187940449.db2.gz CFDZPIWNJUJAKH-MRXNPFEDSA-N 2 0 360.458 0.794 20 0 FCADRP CCn1ccnc1C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001269992318 1187961496 /nfs/dbraw/zinc/96/14/96/1187961496.db2.gz GTCFWQWJZIYYHO-GASCZTMLSA-N 2 0 361.494 0.399 20 0 FCADRP O=C(CCc1ncc[nH]1)N1CC[C@H]2CN(CC(=O)N3CCCCC3)C[C@H]21 ZINC001075741230 1188054294 /nfs/dbraw/zinc/05/42/94/1188054294.db2.gz VSHOXXGQPYKABY-JKSUJKDBSA-N 2 0 359.474 0.888 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001270236579 1188057413 /nfs/dbraw/zinc/05/74/13/1188057413.db2.gz BXQAXVGHMYVUTF-LJQANCHMSA-N 2 0 366.506 0.110 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549994906 1188066665 /nfs/dbraw/zinc/06/66/65/1188066665.db2.gz PRLBMGOUNZTXFC-HOTGVXAUSA-N 2 0 368.522 0.591 20 0 FCADRP Cn1cncc1CN1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270491779 1188172462 /nfs/dbraw/zinc/17/24/62/1188172462.db2.gz XYRNKCMTFSMPFT-HNNXBMFYSA-N 2 0 359.474 0.713 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001270668838 1188251238 /nfs/dbraw/zinc/25/12/38/1188251238.db2.gz ZVDMWJWMGNYNOL-QXAKKESOSA-N 2 0 360.502 0.659 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC000983707259 1188277183 /nfs/dbraw/zinc/27/71/83/1188277183.db2.gz BPFQCYYKATUVNN-PGZVSCLCSA-N 2 0 362.518 0.964 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCOCCNC(C)=O ZINC001691516182 1188400778 /nfs/dbraw/zinc/40/07/78/1188400778.db2.gz XNANIMOZNLMRFK-YESZJQIVSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087529638 1189383168 /nfs/dbraw/zinc/38/31/68/1189383168.db2.gz OCAGEGAETNKVCI-GVDBMIGSSA-N 2 0 364.494 0.195 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccnn2C)O1 ZINC001029357026 1189433347 /nfs/dbraw/zinc/43/33/47/1189433347.db2.gz AEHODSZYFDNYNY-NRSFXHEJSA-N 2 0 361.490 0.357 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000550455599 1189492277 /nfs/dbraw/zinc/49/22/77/1189492277.db2.gz ARCUCOPEBGOWKT-UAGQMJEPSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@@H+]1C ZINC001075810470 1189521694 /nfs/dbraw/zinc/52/16/94/1189521694.db2.gz GKVYBMPJPSHSNT-BZZMCLGOSA-N 2 0 358.486 0.758 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000550502061 1189725981 /nfs/dbraw/zinc/72/59/81/1189725981.db2.gz ICFDGSSCMXVOEI-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271140568 1189810817 /nfs/dbraw/zinc/81/08/17/1189810817.db2.gz TYPCHCHCDYJKEW-KXBFYZLASA-N 2 0 364.490 0.400 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908793 1189894132 /nfs/dbraw/zinc/89/41/32/1189894132.db2.gz NLFYLHMFBIOJSA-SQNIBIBYSA-N 2 0 360.506 0.769 20 0 FCADRP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908573 1189894151 /nfs/dbraw/zinc/89/41/51/1189894151.db2.gz GNRBDHKNWBHWSV-VYDXJSESSA-N 2 0 359.474 0.860 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908865 1189894938 /nfs/dbraw/zinc/89/49/38/1189894938.db2.gz PQJYLMMUUWNTSP-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908955 1189895449 /nfs/dbraw/zinc/89/54/49/1189895449.db2.gz UEHBWNPHHVMVEY-OWCLPIDISA-N 2 0 362.474 0.010 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992622 1190143840 /nfs/dbraw/zinc/14/38/40/1190143840.db2.gz CNMLXSZPINNELY-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995060 1190147783 /nfs/dbraw/zinc/14/77/83/1190147783.db2.gz QEIQVCUDYBUVMV-YCPHGPKFSA-N 2 0 362.474 0.056 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013943 1190215863 /nfs/dbraw/zinc/21/58/63/1190215863.db2.gz AKNGOTHRHSXDMT-IKGGRYGDSA-N 2 0 363.506 0.276 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)Cc1cncn1C ZINC000984945442 1190312536 /nfs/dbraw/zinc/31/25/36/1190312536.db2.gz BKBSJDHLKSOUHS-MXASKKJJSA-N 2 0 361.490 0.799 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107127 1190596277 /nfs/dbraw/zinc/59/62/77/1190596277.db2.gz IIKPHLFIAGSWFJ-IKGGRYGDSA-N 2 0 362.518 0.777 20 0 FCADRP CO[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088135991 1190642301 /nfs/dbraw/zinc/64/23/01/1190642301.db2.gz PIZNIPASLKVGEI-JZXOWHBKSA-N 2 0 363.506 0.874 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(C)C4=O)CC[C@@H]3C2)CC1 ZINC001088150557 1190674281 /nfs/dbraw/zinc/67/42/81/1190674281.db2.gz KFLVNVTZSODSAG-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001088318099 1190728575 /nfs/dbraw/zinc/72/85/75/1190728575.db2.gz XNBSNYUMTDWSHX-BRWVUGGUSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986190610 1190917389 /nfs/dbraw/zinc/91/73/89/1190917389.db2.gz LSDJESZSFHLZRM-LVQVYYBASA-N 2 0 359.474 0.599 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282528 1190944635 /nfs/dbraw/zinc/94/46/35/1190944635.db2.gz ICKQAWPZSDGIEA-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)[NH+](C)C ZINC000986424243 1190986572 /nfs/dbraw/zinc/98/65/72/1190986572.db2.gz JBMQIPKOEXGUTF-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001029965827 1191039485 /nfs/dbraw/zinc/03/94/85/1191039485.db2.gz BPFRUVQOGXUYSN-BMFZPTHFSA-N 2 0 364.490 0.302 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886197 1191117237 /nfs/dbraw/zinc/11/72/37/1191117237.db2.gz HLVNTJVOQHYRRW-SOLBZPMBSA-N 2 0 362.518 0.920 20 0 FCADRP Cc1nccn1CC(=O)N[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1C ZINC000988113380 1191151146 /nfs/dbraw/zinc/15/11/46/1191151146.db2.gz LZJIWQBFYUYBSU-ZBFHGGJFSA-N 2 0 363.462 0.019 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3cncn3C)C2)CC[N@@H+]1C ZINC000988143266 1191153197 /nfs/dbraw/zinc/15/31/97/1191153197.db2.gz VTKALIZOPDJXKZ-HLLBOEOZSA-N 2 0 361.490 0.610 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc1)C(N)=O ZINC001218337610 1224154792 /nfs/dbraw/zinc/15/47/92/1224154792.db2.gz NXPDJZCFBWWOTD-SQNIBIBYSA-N 2 0 374.485 0.479 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000550682346 1193733103 /nfs/dbraw/zinc/73/31/03/1193733103.db2.gz YSKMPBJJWYYQIV-MRXNPFEDSA-N 2 0 368.522 0.282 20 0 FCADRP CC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001218508362 1224165024 /nfs/dbraw/zinc/16/50/24/1224165024.db2.gz PCVLQWPEZDJVEP-RYUDHWBXSA-N 2 0 366.466 0.753 20 0 FCADRP COc1ccc(CN2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465516 1193765136 /nfs/dbraw/zinc/76/51/36/1193765136.db2.gz HUYKZMIBXJERQW-OTWHNJEPSA-N 2 0 359.470 0.698 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC001691594981 1193766131 /nfs/dbraw/zinc/76/61/31/1193766131.db2.gz BLWBEKMJMWYJGY-NVXWUHKLSA-N 2 0 351.495 0.667 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)nc2)CC1 ZINC001218515992 1224166374 /nfs/dbraw/zinc/16/63/74/1224166374.db2.gz PYFSLWNVQIBLKD-AEFFLSMTSA-N 2 0 372.517 0.846 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1[nH]nc2cccnc21 ZINC001218524389 1224167555 /nfs/dbraw/zinc/16/75/55/1224167555.db2.gz YFSWDKSNBOZFIZ-AAEUAGOBSA-N 2 0 359.434 0.344 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001088703036 1193803267 /nfs/dbraw/zinc/80/32/67/1193803267.db2.gz YCDDIZXQNFHZRL-OAGGEKHMSA-N 2 0 358.490 0.973 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001691623771 1193816380 /nfs/dbraw/zinc/81/63/80/1193816380.db2.gz JSUDJNVRQVKQKW-UONOGXRCSA-N 2 0 369.510 0.437 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105651191 1193855340 /nfs/dbraw/zinc/85/53/40/1193855340.db2.gz FHSJBIVXDUDILP-PDOICOKGSA-N 2 0 367.534 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105651193 1193855510 /nfs/dbraw/zinc/85/55/10/1193855510.db2.gz FHSJBIVXDUDILP-VIPLHTEESA-N 2 0 367.534 0.941 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218558369 1224172959 /nfs/dbraw/zinc/17/29/59/1224172959.db2.gz ZDJOXUNMGCWUCK-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469907 1193864708 /nfs/dbraw/zinc/86/47/08/1193864708.db2.gz PPBHZSMWVOSHRM-YRXWBPOGSA-N 2 0 367.534 0.941 20 0 FCADRP Cc1ncc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757201 1193891623 /nfs/dbraw/zinc/89/16/23/1193891623.db2.gz NHSQEDVIDGXSEB-AJTSGFOTSA-N 2 0 360.458 0.925 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000552472751 1193933339 /nfs/dbraw/zinc/93/33/39/1193933339.db2.gz MAYVQYCSWNOBDE-HNNXBMFYSA-N 2 0 362.474 0.831 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000552864697 1193956560 /nfs/dbraw/zinc/95/65/60/1193956560.db2.gz NGAMKXWXSGRBPW-UHFFFAOYSA-N 2 0 366.506 0.299 20 0 FCADRP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ccn2)c1 ZINC001218622469 1224183571 /nfs/dbraw/zinc/18/35/71/1224183571.db2.gz SQBZEYOGFGQXQL-AWEZNQCLSA-N 2 0 360.418 0.839 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105670097 1193998406 /nfs/dbraw/zinc/99/84/06/1193998406.db2.gz XTOPXPGJTPURBA-PSBWJHGTSA-N 2 0 364.490 0.873 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735638 1194017404 /nfs/dbraw/zinc/01/74/04/1194017404.db2.gz WPIJLSGHECXZTF-SJORKVTESA-N 2 0 366.506 0.014 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001218639768 1224187181 /nfs/dbraw/zinc/18/71/81/1224187181.db2.gz BOYMHXQREYTXCN-GOSISDBHSA-N 2 0 366.469 0.688 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645002 1224188136 /nfs/dbraw/zinc/18/81/36/1224188136.db2.gz BAMBEYCMZMJEMO-HRCADAONSA-N 2 0 366.506 0.155 20 0 FCADRP NC1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001218640836 1224188573 /nfs/dbraw/zinc/18/85/73/1224188573.db2.gz LWDMSFVHUCLLOR-UHFFFAOYSA-N 2 0 354.458 0.959 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842187763 1194085992 /nfs/dbraw/zinc/08/59/92/1194085992.db2.gz ADGVSRCQXZJALO-XLIONFOSSA-N 2 0 374.485 0.201 20 0 FCADRP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218662146 1224191873 /nfs/dbraw/zinc/19/18/73/1224191873.db2.gz WJHIDLCNMHSJSD-AWEZNQCLSA-N 2 0 372.429 0.378 20 0 FCADRP COc1ccc(C)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218662005 1224192418 /nfs/dbraw/zinc/19/24/18/1224192418.db2.gz UBWHQUFPRFBUIJ-KBPBESRZSA-N 2 0 363.462 0.784 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899205452 1194119938 /nfs/dbraw/zinc/11/99/38/1194119938.db2.gz OITSRKQHXGVFGD-INIZCTEOSA-N 2 0 364.490 0.040 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696137 1224197887 /nfs/dbraw/zinc/19/78/87/1224197887.db2.gz OVPAMPHYVRRIDS-ZIAGYGMSSA-N 2 0 361.446 0.148 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218695041 1224198147 /nfs/dbraw/zinc/19/81/47/1224198147.db2.gz JVNBGVDIZNSOSI-CQSZACIVSA-N 2 0 359.474 0.908 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2)C1CC[NH2+]CC1 ZINC001218695055 1224198202 /nfs/dbraw/zinc/19/82/02/1224198202.db2.gz KIMKBKOLLFWGCS-IFXJQAMLSA-N 2 0 359.474 0.908 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001218696289 1224198543 /nfs/dbraw/zinc/19/85/43/1224198543.db2.gz QVPOHMFNQSOCIM-SJLPKXTDSA-N 2 0 372.517 0.965 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001076047000 1194272419 /nfs/dbraw/zinc/27/24/19/1194272419.db2.gz XCDAXDJGACSSSP-IAOVAPTHSA-N 2 0 353.426 0.711 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001076047001 1194273483 /nfs/dbraw/zinc/27/34/83/1194273483.db2.gz XCDAXDJGACSSSP-RRQGHBQHSA-N 2 0 353.426 0.711 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001218727798 1224206120 /nfs/dbraw/zinc/20/61/20/1224206120.db2.gz QCQBXHGDHSGLMV-USXIJHARSA-N 2 0 359.474 0.835 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001218730472 1224206986 /nfs/dbraw/zinc/20/69/86/1224206986.db2.gz BOFHIGBDCGFLDC-BBWFWOEESA-N 2 0 359.474 0.977 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001076161631 1194336627 /nfs/dbraw/zinc/33/66/27/1194336627.db2.gz RFHATMQXCKLXAO-RCCFBDPRSA-N 2 0 360.506 0.933 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241226 1194363228 /nfs/dbraw/zinc/36/32/28/1194363228.db2.gz HNLQWJAHCGADEV-HRCADAONSA-N 2 0 362.474 0.152 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001076324608 1194396941 /nfs/dbraw/zinc/39/69/41/1194396941.db2.gz VXSKVFBAUMYOSG-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)OC(=O)CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794860 1224214130 /nfs/dbraw/zinc/21/41/30/1224214130.db2.gz SVLCSRVYLAMIHE-DNVCBOLYSA-N 2 0 369.506 0.611 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076571444 1194577005 /nfs/dbraw/zinc/57/70/05/1194577005.db2.gz KBKZCAVRMQFIFN-CGTJXYLNSA-N 2 0 360.502 0.768 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001276796118 1224228937 /nfs/dbraw/zinc/22/89/37/1224228937.db2.gz WTVRALCMDWJFRO-KLHDSHLOSA-N 2 0 366.506 0.079 20 0 FCADRP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845017 1224238738 /nfs/dbraw/zinc/23/87/38/1224238738.db2.gz RXVFPHSEVMSITH-ZWKOTPCHSA-N 2 0 369.506 0.435 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]2(N)CCC[NH2+]C2)cc1 ZINC001218854942 1224240886 /nfs/dbraw/zinc/24/08/86/1224240886.db2.gz CVFWCTASIWOGGH-LJQANCHMSA-N 2 0 361.490 0.778 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001218862235 1224241521 /nfs/dbraw/zinc/24/15/21/1224241521.db2.gz SVCYJXCKOKIVNQ-INIZCTEOSA-N 2 0 363.437 0.466 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001218879144 1224244338 /nfs/dbraw/zinc/24/43/38/1224244338.db2.gz OONOFKDNCPBDOX-ZFWWWQNUSA-N 2 0 374.445 0.654 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001218880469 1224246301 /nfs/dbraw/zinc/24/63/01/1224246301.db2.gz YFYYDLWGYUTWNX-YWZLYKJASA-N 2 0 372.469 0.829 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131518 1195248296 /nfs/dbraw/zinc/24/82/96/1195248296.db2.gz DVNLJRUDUFKLHR-RCCFBDPRSA-N 2 0 363.506 0.387 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001218971220 1224274941 /nfs/dbraw/zinc/27/49/41/1224274941.db2.gz UOHVICYUVGFHLY-ZWKOTPCHSA-N 2 0 369.506 0.293 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219420 1195328149 /nfs/dbraw/zinc/32/81/49/1195328149.db2.gz QDDAQLXBMWSHJI-RCCFBDPRSA-N 2 0 365.518 0.983 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCCC1 ZINC001077300174 1195400183 /nfs/dbraw/zinc/40/01/83/1195400183.db2.gz ZQLYISAQRLEBLW-KZNAEPCWSA-N 2 0 365.518 0.981 20 0 FCADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218994772 1224282140 /nfs/dbraw/zinc/28/21/40/1224282140.db2.gz LHUMNTGFVFLQNU-GDBMZVCRSA-N 2 0 367.457 0.640 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366542 1195466277 /nfs/dbraw/zinc/46/62/77/1195466277.db2.gz NNWSDEUZAOURJR-IAOVAPTHSA-N 2 0 357.414 0.079 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580090 1195528347 /nfs/dbraw/zinc/52/83/47/1195528347.db2.gz PNWYIROTRXIPDO-UHOSZYNNSA-N 2 0 354.454 0.850 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ccc2c3c1cccc3C(=O)NC2=O)C1CC[NH2+]CC1 ZINC001219005933 1224286890 /nfs/dbraw/zinc/28/68/90/1224286890.db2.gz YNAJGRBXAVBUEG-INIZCTEOSA-N 2 0 352.394 0.989 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CC[NH2+]CC1 ZINC000904300166 1195530142 /nfs/dbraw/zinc/53/01/42/1195530142.db2.gz XPZRXRUJAFVSOJ-INIZCTEOSA-N 2 0 361.490 0.333 20 0 FCADRP O[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C[C@@]1(O)CCOC1 ZINC000905082637 1195573869 /nfs/dbraw/zinc/57/38/69/1195573869.db2.gz SGPDJQJXCJNRIK-MOPGFXCFSA-N 2 0 364.490 0.086 20 0 FCADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC000905147313 1195577462 /nfs/dbraw/zinc/57/74/62/1195577462.db2.gz UWTNNPOZJCSVQM-VQTJNVASSA-N 2 0 364.486 0.635 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591118 1195586164 /nfs/dbraw/zinc/58/61/64/1195586164.db2.gz LVPKBACDJRSDKE-QGTPRVQTSA-N 2 0 358.442 0.844 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000906696220 1195650579 /nfs/dbraw/zinc/65/05/79/1195650579.db2.gz BJAWXYIRIMFETM-UHFFFAOYSA-N 2 0 371.485 0.765 20 0 FCADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000906785106 1195664128 /nfs/dbraw/zinc/66/41/28/1195664128.db2.gz DVBSIIVRXWGARN-PXNSSMCTSA-N 2 0 374.529 0.886 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCCC1 ZINC001083602520 1195667439 /nfs/dbraw/zinc/66/74/39/1195667439.db2.gz ZQLYISAQRLEBLW-SQNIBIBYSA-N 2 0 365.518 0.981 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000907083705 1195680189 /nfs/dbraw/zinc/68/01/89/1195680189.db2.gz ICRKMGHTGIEPOX-QGZVFWFLSA-N 2 0 360.506 0.654 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907555875 1195700458 /nfs/dbraw/zinc/70/04/58/1195700458.db2.gz ZEUMTJWDYJGXQT-DFQSSKMNSA-N 2 0 361.486 0.537 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001219028027 1224299779 /nfs/dbraw/zinc/29/97/79/1224299779.db2.gz MFOTXVQYUOIQKB-INIZCTEOSA-N 2 0 354.410 0.776 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000910828344 1195847600 /nfs/dbraw/zinc/84/76/00/1195847600.db2.gz IIBOMBXZGINOBR-XYJFISCASA-N 2 0 371.485 0.671 20 0 FCADRP O=C(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842528 1195849239 /nfs/dbraw/zinc/84/92/39/1195849239.db2.gz DRQVLUXVUTVJGY-QGZVFWFLSA-N 2 0 371.485 0.863 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910832280 1195851568 /nfs/dbraw/zinc/85/15/68/1195851568.db2.gz MDTIUPPFIOSKEP-NVXWUHKLSA-N 2 0 359.474 0.671 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911027976 1195876575 /nfs/dbraw/zinc/87/65/75/1195876575.db2.gz GGBNVPKMUGCYPB-LUKYLMHMSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911027979 1195876660 /nfs/dbraw/zinc/87/66/60/1195876660.db2.gz GGBNVPKMUGCYPB-WCXIOVBPSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000911010301 1195877938 /nfs/dbraw/zinc/87/79/38/1195877938.db2.gz XZJMDZNRMSLZHW-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911041898 1195882516 /nfs/dbraw/zinc/88/25/16/1195882516.db2.gz YCJZWFULCHRROU-QGZVFWFLSA-N 2 0 368.522 0.640 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000911073055 1195886189 /nfs/dbraw/zinc/88/61/89/1195886189.db2.gz PVQXAPJXOLXMGM-INIZCTEOSA-N 2 0 360.502 0.962 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911097637 1195888792 /nfs/dbraw/zinc/88/87/92/1195888792.db2.gz SUDNXAPAMMZIMF-LZLYRXPVSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911099959 1195889088 /nfs/dbraw/zinc/88/90/88/1195889088.db2.gz OEVWKHRAWWZDMB-IRXDYDNUSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000911127823 1195893708 /nfs/dbraw/zinc/89/37/08/1195893708.db2.gz ZPSYRZDDMUCYCI-ATLSCFEFSA-N 2 0 358.486 0.819 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CCC1 ZINC001083644464 1195931985 /nfs/dbraw/zinc/93/19/85/1195931985.db2.gz ICIFDBTYKYHTKP-SQNIBIBYSA-N 2 0 358.442 0.924 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1 ZINC001083644724 1195934537 /nfs/dbraw/zinc/93/45/37/1195934537.db2.gz SOZWPISEVOCLJN-VFBMKALASA-N 2 0 358.442 0.924 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000911338297 1195943407 /nfs/dbraw/zinc/94/34/07/1195943407.db2.gz IRWMDIGFWQDYAB-RTBURBONSA-N 2 0 370.497 0.966 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000912074527 1196329515 /nfs/dbraw/zinc/32/95/15/1196329515.db2.gz GZFLHFOOHKGKIF-HZPDHXFCSA-N 2 0 360.502 0.722 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912989975 1196387177 /nfs/dbraw/zinc/38/71/77/1196387177.db2.gz BKJVPJOWWHGBES-JCYILVPMSA-N 2 0 366.506 0.333 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc(N4CC[NH2+]CC4)cn3)c21 ZINC000592467077 1196563862 /nfs/dbraw/zinc/56/38/62/1196563862.db2.gz IHFIZCIRNMIQDF-ZDUSSCGKSA-N 2 0 355.446 0.776 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592547184 1196566297 /nfs/dbraw/zinc/56/62/97/1196566297.db2.gz SKRWFLQMEAHABA-KBPBESRZSA-N 2 0 362.478 0.179 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)C1 ZINC000592964455 1196597396 /nfs/dbraw/zinc/59/73/96/1196597396.db2.gz GVJVUWXNYSTBBA-HOTGVXAUSA-N 2 0 360.506 0.571 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592959826 1196601819 /nfs/dbraw/zinc/60/18/19/1196601819.db2.gz WSIIURMQLWGWCU-KBPBESRZSA-N 2 0 362.478 0.036 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)CC1 ZINC001030329548 1196680658 /nfs/dbraw/zinc/68/06/58/1196680658.db2.gz DVGVXNYNBIUKTD-LZQZEXGQSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000594102373 1196691844 /nfs/dbraw/zinc/69/18/44/1196691844.db2.gz MYGMTYPCAWWQPP-IXDOHACOSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001105946126 1196749743 /nfs/dbraw/zinc/74/97/43/1196749743.db2.gz LOADXWMAXNBWBL-BZUAXINKSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088860605 1196805760 /nfs/dbraw/zinc/80/57/60/1196805760.db2.gz SZVNZOHTVPQNAM-CABCVRRESA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088899276 1196830877 /nfs/dbraw/zinc/83/08/77/1196830877.db2.gz VUOOZYSNQQNBTP-ZBFHGGJFSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001088983594 1196856949 /nfs/dbraw/zinc/85/69/49/1196856949.db2.gz FKJDXVFDDDJDHD-PBHICJAKSA-N 2 0 356.470 0.960 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504961 1197018682 /nfs/dbraw/zinc/01/86/82/1197018682.db2.gz HDCLSGKWFFQEKJ-KZNAEPCWSA-N 2 0 367.534 0.963 20 0 FCADRP Cc1c(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC000992319648 1197066819 /nfs/dbraw/zinc/06/68/19/1197066819.db2.gz QIFBRZDBPJKKKB-MLGOLLRUSA-N 2 0 355.442 0.924 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255214 1197793176 /nfs/dbraw/zinc/79/31/76/1197793176.db2.gz JVFKGOCAXYFVAG-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000993077100 1197801918 /nfs/dbraw/zinc/80/19/18/1197801918.db2.gz KFZGJFKWMGRYPK-SQGPQFPESA-N 2 0 362.518 0.729 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282160 1197825983 /nfs/dbraw/zinc/82/59/83/1197825983.db2.gz WBIZIARQHIZVHL-FMKPAKJESA-N 2 0 369.510 0.102 20 0 FCADRP CC(C)c1nccn1CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C ZINC001085350406 1197838128 /nfs/dbraw/zinc/83/81/28/1197838128.db2.gz GDEWJXGBDCLYPF-ZIAGYGMSSA-N 2 0 360.466 0.747 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106316268 1197862917 /nfs/dbraw/zinc/86/29/17/1197862917.db2.gz MLWUBQAIJNCLLT-OAGGEKHMSA-N 2 0 368.522 0.293 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC000735588459 1197864111 /nfs/dbraw/zinc/86/41/11/1197864111.db2.gz IKHYESGINAQXIQ-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735585107 1197864427 /nfs/dbraw/zinc/86/44/27/1197864427.db2.gz DTGNBUOQUKEYCR-MRXNPFEDSA-N 2 0 373.501 0.977 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC000735586540 1197864592 /nfs/dbraw/zinc/86/45/92/1197864592.db2.gz CZJLELKHKZNXQQ-UHFFFAOYSA-N 2 0 359.474 0.587 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321752 1197864899 /nfs/dbraw/zinc/86/48/99/1197864899.db2.gz DOENDXIAUXFXEC-ZACQAIPSSA-N 2 0 367.538 0.862 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106340381 1197870190 /nfs/dbraw/zinc/87/01/90/1197870190.db2.gz VEGSUULTLNWMKR-NVXWUHKLSA-N 2 0 370.538 0.554 20 0 FCADRP CCOC(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c2c1OCCO2 ZINC001219375513 1224445403 /nfs/dbraw/zinc/44/54/03/1224445403.db2.gz QMKKVNNCCBFOCU-AWEZNQCLSA-N 2 0 363.414 0.900 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1C ZINC001106591600 1198026375 /nfs/dbraw/zinc/02/63/75/1198026375.db2.gz GHEYGKBMWFNLQG-HUUCEWRRSA-N 2 0 362.522 0.903 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001106621546 1198037788 /nfs/dbraw/zinc/03/77/88/1198037788.db2.gz QLTRFELQOQCIHO-RDTXWAMCSA-N 2 0 362.522 0.921 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621661 1198037988 /nfs/dbraw/zinc/03/79/88/1198037988.db2.gz XKYNERJVFYXXGP-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1)[NH+](C)C ZINC001273404037 1198216811 /nfs/dbraw/zinc/21/68/11/1198216811.db2.gz RMLWTNGIJLTUMU-DOTOQJQBSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](C(=O)N1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1)[NH+](C)C ZINC001273404032 1198218782 /nfs/dbraw/zinc/21/87/82/1198218782.db2.gz RKBZSDGPQQNBJY-RDJZCZTQSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086205312 1198254593 /nfs/dbraw/zinc/25/45/93/1198254593.db2.gz KVDIKPOZEWXKCF-YGTYDBBMSA-N 2 0 358.486 0.690 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1CCC3(C[NH2+]C3)O1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501517 1224489160 /nfs/dbraw/zinc/48/91/60/1224489160.db2.gz VVLJYYATJIUKIU-AUUYWEPGSA-N 2 0 372.425 0.338 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1C[C@@H]3CC[C@H]1[NH2+]3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498536 1224488285 /nfs/dbraw/zinc/48/82/85/1224488285.db2.gz ZOVAWXRRMYXJCU-UJEDGZGLSA-N 2 0 356.426 0.957 20 0 FCADRP COc1cc2c(cc1NC(=O)CNC1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500951 1224489377 /nfs/dbraw/zinc/48/93/77/1224489377.db2.gz LVNMPWHAVLMGEV-IBGZPJMESA-N 2 0 373.457 0.159 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@H](F)C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500508 1224489513 /nfs/dbraw/zinc/48/95/13/1224489513.db2.gz CHZNHSBFICCUHB-PISHQANHSA-N 2 0 362.405 0.765 20 0 FCADRP COc1cc2c(cc1NC(=O)c1c[nH+]ccc1N)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504190 1224491570 /nfs/dbraw/zinc/49/15/70/1224491570.db2.gz QNZUQPJAOFRUDB-GOSISDBHSA-N 2 0 353.382 0.938 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000746046369 1198961407 /nfs/dbraw/zinc/96/14/07/1198961407.db2.gz YEFJXFZJGHCITM-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP C[C@H]1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001219587160 1224517887 /nfs/dbraw/zinc/51/78/87/1224517887.db2.gz SPFYEVHLJYUPHI-DKIMLUQUSA-N 2 0 358.486 0.723 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168810605 1199036378 /nfs/dbraw/zinc/03/63/78/1199036378.db2.gz BGOAPYRUOIZMPE-IMJJTQAJSA-N 2 0 355.442 0.868 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369681 1199131418 /nfs/dbraw/zinc/13/14/18/1199131418.db2.gz CWSQRYXYRZFYJG-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3[nH]2)C1 ZINC001219714569 1224571230 /nfs/dbraw/zinc/57/12/30/1224571230.db2.gz OYMPJNIVQKGKDO-PILAGYSTSA-N 2 0 357.458 0.081 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H](c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH3+])C1 ZINC001219720637 1224573982 /nfs/dbraw/zinc/57/39/82/1224573982.db2.gz OCLUOGPFWWSBDJ-NONVJHHQSA-N 2 0 357.458 0.474 20 0 FCADRP C[NH2+][C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725201 1224578116 /nfs/dbraw/zinc/57/81/16/1224578116.db2.gz BMQNSRHBOBXSCV-QRQLOZEOSA-N 3 0 374.529 0.573 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001219725753 1224578698 /nfs/dbraw/zinc/57/86/98/1224578698.db2.gz GIUXGBCNEBKSBT-RBUKOAKNSA-N 3 0 371.529 0.166 20 0 FCADRP C[NH2+][C@@H](CO)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727232 1224579318 /nfs/dbraw/zinc/57/93/18/1224579318.db2.gz ZMQHDFRNCHZOTP-ROUUACIJSA-N 3 0 360.502 0.185 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCCN1 ZINC001219727139 1224579699 /nfs/dbraw/zinc/57/96/99/1224579699.db2.gz XSRRVHOMDQYOGT-MOPGFXCFSA-N 2 0 372.513 0.593 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219729402 1224580639 /nfs/dbraw/zinc/58/06/39/1224580639.db2.gz VNPUUIVUNYYIEH-QYZOEREBSA-N 3 0 372.513 0.327 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737182 1224585633 /nfs/dbraw/zinc/58/56/33/1224585633.db2.gz QFGUMKGKCZZQNY-ZWKOTPCHSA-N 2 0 358.486 0.345 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219739372 1224586161 /nfs/dbraw/zinc/58/61/61/1224586161.db2.gz MVEJAGBFGSFNRF-KRWDZBQOSA-N 2 0 372.469 0.277 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219741277 1224587802 /nfs/dbraw/zinc/58/78/02/1224587802.db2.gz FZDKRJUTZANBKK-SJLPKXTDSA-N 3 0 364.534 0.868 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743579 1224589094 /nfs/dbraw/zinc/58/90/94/1224589094.db2.gz HEHNFFRATARIOA-BZSNNMDCSA-N 2 0 361.486 0.725 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384901 1200088430 /nfs/dbraw/zinc/08/84/30/1200088430.db2.gz BLWBLPKRCZLCCH-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219754764 1224597792 /nfs/dbraw/zinc/59/77/92/1224597792.db2.gz YKCRTJJKGJAGHD-ROUUACIJSA-N 3 0 354.498 0.986 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109473127 1200316508 /nfs/dbraw/zinc/31/65/08/1200316508.db2.gz WZKNEBRAQJPIFT-KCMWZYNZSA-N 2 0 358.442 0.985 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001109651009 1200443441 /nfs/dbraw/zinc/44/34/41/1200443441.db2.gz FAHDFLFMIHNXDK-WCVJEAGWSA-N 2 0 358.490 0.829 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669052 1200458394 /nfs/dbraw/zinc/45/83/94/1200458394.db2.gz LSLIXQWUQUAGEA-SQNIBIBYSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC001109672333 1200460077 /nfs/dbraw/zinc/46/00/77/1200460077.db2.gz BZRUKBMZNCSAJF-LMSBXDPUSA-N 2 0 369.506 0.216 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1 ZINC001109672613 1200460467 /nfs/dbraw/zinc/46/04/67/1200460467.db2.gz MXBMSCGQJYJSAE-FZCLSBEQSA-N 2 0 365.474 0.830 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219796172 1224617655 /nfs/dbraw/zinc/61/76/55/1224617655.db2.gz OYMJTYXZDQREIH-VQIMIIECSA-N 3 0 363.550 0.393 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cc1 ZINC001219798914 1224618526 /nfs/dbraw/zinc/61/85/26/1224618526.db2.gz XYZQGQACKUKHPR-MSOLQXFVSA-N 2 0 361.486 0.883 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219800579 1224621586 /nfs/dbraw/zinc/62/15/86/1224621586.db2.gz KNDPJMPAMRACIZ-QAPCUYQASA-N 2 0 371.481 0.954 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960987 1200638918 /nfs/dbraw/zinc/63/89/18/1200638918.db2.gz IKAYHCQLYQUFNB-XWSJACJDSA-N 2 0 365.518 0.837 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982704 1200675801 /nfs/dbraw/zinc/67/58/01/1200675801.db2.gz OPAHWOXVKUCNBT-OWSLCNJRSA-N 2 0 365.518 0.837 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110002556 1200694536 /nfs/dbraw/zinc/69/45/36/1200694536.db2.gz LOJYNOBZQJMLLL-BDXSIMOUSA-N 2 0 363.506 0.697 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NCc2noc3c2C[NH2+]CC3)c2ccco2)CC1 ZINC001219809016 1224627480 /nfs/dbraw/zinc/62/74/80/1224627480.db2.gz BYPCAOMIELFYOG-KRWDZBQOSA-N 2 0 359.430 0.694 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219809190 1224627958 /nfs/dbraw/zinc/62/79/58/1224627958.db2.gz FQVHUYAZBZFCPU-YJYMSZOUSA-N 2 0 367.409 0.046 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000785521359 1200766304 /nfs/dbraw/zinc/76/63/04/1200766304.db2.gz VILPRKGWVLTOOE-DLBZAZTESA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112557663 1200784528 /nfs/dbraw/zinc/78/45/28/1200784528.db2.gz RIELQDOEMYSBHZ-GLJUWKHASA-N 2 0 367.494 0.130 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112563673 1200793843 /nfs/dbraw/zinc/79/38/43/1200793843.db2.gz HOUYWKCASLGHPD-ZWOKBUDYSA-N 2 0 362.518 0.779 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564445 1200797333 /nfs/dbraw/zinc/79/73/33/1200797333.db2.gz TYWCEZGAOZFPTB-JXFKEZNVSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2)C(N)=O ZINC001112564232 1200797541 /nfs/dbraw/zinc/79/75/41/1200797541.db2.gz KGLGZYAUELGCDW-TYILLQQXSA-N 2 0 359.474 0.853 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586143 1200822382 /nfs/dbraw/zinc/82/23/82/1200822382.db2.gz JLJXZUINPMLTRS-KSSFIOAISA-N 2 0 367.494 0.001 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787113535 1200863743 /nfs/dbraw/zinc/86/37/43/1200863743.db2.gz GSRIWWRVNXEMTL-DLBZAZTESA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787113537 1200864028 /nfs/dbraw/zinc/86/40/28/1200864028.db2.gz GSRIWWRVNXEMTL-IRXDYDNUSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000787123501 1200869183 /nfs/dbraw/zinc/86/91/83/1200869183.db2.gz LJPKQGZJJPXWOH-WMLDXEAASA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000788460777 1200961631 /nfs/dbraw/zinc/96/16/31/1200961631.db2.gz PZJJKIHRBQMURI-QZTJIDSGSA-N 2 0 374.485 0.344 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001219834148 1224644668 /nfs/dbraw/zinc/64/46/68/1224644668.db2.gz OLFGMFLKAHFDFG-WBKMXMRLSA-N 2 0 373.497 0.891 20 0 FCADRP O=C(Cc1ccc2c(c1)C[NH2+]CC2)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834492 1224646296 /nfs/dbraw/zinc/64/62/96/1224646296.db2.gz QNFPIHZNZVWQDV-JXFKEZNVSA-N 2 0 359.470 0.386 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837092 1224647495 /nfs/dbraw/zinc/64/74/95/1224647495.db2.gz HRDGSVDYLUXURY-AYOQOUSVSA-N 2 0 365.449 0.597 20 0 FCADRP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000790273090 1201065120 /nfs/dbraw/zinc/06/51/20/1201065120.db2.gz CRKGYZBQSSBUTR-BZUAXINKSA-N 2 0 359.474 0.869 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847387 1224652078 /nfs/dbraw/zinc/65/20/78/1224652078.db2.gz FURAZYFWXKUPCR-MUPNANLLSA-N 2 0 359.470 0.959 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)N[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)cc2)CC1 ZINC001219849996 1224653993 /nfs/dbraw/zinc/65/39/93/1224653993.db2.gz KYSZVVWCFSEIJG-OKZBNKHCSA-N 2 0 372.469 0.499 20 0 FCADRP Cc1ccc([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)N2CCC[NH2+]CC2)cc1 ZINC001219856424 1224656210 /nfs/dbraw/zinc/65/62/10/1224656210.db2.gz LZDMJNCLERTISI-FCGDIQPGSA-N 2 0 358.486 0.434 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000793703546 1201259990 /nfs/dbraw/zinc/25/99/90/1201259990.db2.gz XUKDNFVZQQRVCN-GVDBMIGSSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400742 1201306734 /nfs/dbraw/zinc/30/67/34/1201306734.db2.gz ZFKITVLSCQQJTH-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453511 1201310436 /nfs/dbraw/zinc/31/04/36/1201310436.db2.gz AVJGMNIIRBMKSG-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433538 1201313853 /nfs/dbraw/zinc/31/38/53/1201313853.db2.gz FVMOZQQDDGNRQS-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129850208 1201405084 /nfs/dbraw/zinc/40/50/84/1201405084.db2.gz RYJLYRMPNNDUIU-KURKYZTESA-N 2 0 358.490 0.928 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838125 1201410469 /nfs/dbraw/zinc/41/04/69/1201410469.db2.gz ROEDZBIAVFUFHR-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892332 1201415913 /nfs/dbraw/zinc/41/59/13/1201415913.db2.gz RWHCCVBJHXDYAG-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894508 1201428441 /nfs/dbraw/zinc/42/84/41/1201428441.db2.gz IEMJYOFJURMSSD-OAGGEKHMSA-N 2 0 364.494 0.529 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894509 1201428879 /nfs/dbraw/zinc/42/88/79/1201428879.db2.gz IEMJYOFJURMSSD-XHSDSOJGSA-N 2 0 364.494 0.529 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129985224 1201461531 /nfs/dbraw/zinc/46/15/31/1201461531.db2.gz SERLSGAGPZZDKT-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012016 1201471081 /nfs/dbraw/zinc/47/10/81/1201471081.db2.gz JKTNDPGIJVMGHL-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011967 1201471403 /nfs/dbraw/zinc/47/14/03/1201471403.db2.gz HCKPFGAXVKKAQU-OAGGEKHMSA-N 2 0 366.510 0.632 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007639 1201476750 /nfs/dbraw/zinc/47/67/50/1201476750.db2.gz OKUOXAJUGRGIPB-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007295 1201477000 /nfs/dbraw/zinc/47/70/00/1201477000.db2.gz HWEYQRAHPMLIRO-IKGGRYGDSA-N 2 0 366.510 0.632 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001130009181 1201477594 /nfs/dbraw/zinc/47/75/94/1201477594.db2.gz AOFQUEQQPKDAJO-XHSDSOJGSA-N 2 0 368.457 0.090 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001130047825 1201486339 /nfs/dbraw/zinc/48/63/39/1201486339.db2.gz VOCICEZJRBTFJI-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130047545 1201486732 /nfs/dbraw/zinc/48/67/32/1201486732.db2.gz GJAQTUKOHPGCPI-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001130079388 1201495942 /nfs/dbraw/zinc/49/59/42/1201495942.db2.gz IERQUFFTJFNXBV-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094898 1201498551 /nfs/dbraw/zinc/49/85/51/1201498551.db2.gz WDTKFKXYPPNBPP-BBWFWOEESA-N 2 0 366.510 0.513 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130148285 1201520580 /nfs/dbraw/zinc/52/05/80/1201520580.db2.gz MQZFHXQTRQITOW-SJORKVTESA-N 2 0 364.494 0.268 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)[nH]1 ZINC001130235070 1201559039 /nfs/dbraw/zinc/55/90/39/1201559039.db2.gz SVKGFDIZBYKCGL-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001130237776 1201560228 /nfs/dbraw/zinc/56/02/28/1201560228.db2.gz DMBSCUDHZNDMSX-ILXRZTDVSA-N 2 0 364.494 0.635 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130251521 1201570510 /nfs/dbraw/zinc/57/05/10/1201570510.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 2 0 364.494 0.633 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)CN3CCCC[C@H]([NH3+])C3=O)c2)CC1 ZINC001219961456 1224702743 /nfs/dbraw/zinc/70/27/43/1224702743.db2.gz LWZYOYUMYIAXKR-SFHVURJKSA-N 2 0 373.501 0.394 20 0 FCADRP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC[NH2+]CC1 ZINC001220001315 1224723783 /nfs/dbraw/zinc/72/37/83/1224723783.db2.gz PDMMEEHRECXOJJ-HNAYVOBHSA-N 2 0 372.469 0.124 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCCC1 ZINC001220047672 1224736887 /nfs/dbraw/zinc/73/68/87/1224736887.db2.gz BRDASJXLGPRDJH-KBPBESRZSA-N 2 0 368.478 0.036 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCCO)c1 ZINC001130596917 1202728554 /nfs/dbraw/zinc/72/85/54/1202728554.db2.gz WRZRSLCBZWMJIS-XYJFISCASA-N 2 0 361.490 0.028 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659154 1202749901 /nfs/dbraw/zinc/74/99/01/1202749901.db2.gz HSRCMDOYVLAWFT-UWWQBHOKSA-N 2 0 363.506 0.681 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)o1 ZINC001130669217 1202751299 /nfs/dbraw/zinc/75/12/99/1202751299.db2.gz ALGPXWRBLVKCSU-DOTOQJQBSA-N 2 0 360.462 0.752 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704556 1202756202 /nfs/dbraw/zinc/75/62/02/1202756202.db2.gz UFHPEIGWMCJZJB-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712968 1202760119 /nfs/dbraw/zinc/76/01/19/1202760119.db2.gz VMGXXNGZYNWBIY-DOTOQJQBSA-N 2 0 361.490 0.436 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130734431 1202768569 /nfs/dbraw/zinc/76/85/69/1202768569.db2.gz PGHDXEGGGHIEEP-CGTJXYLNSA-N 2 0 363.506 0.825 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1)[NH+](C)C ZINC001130790142 1202798460 /nfs/dbraw/zinc/79/84/60/1202798460.db2.gz KAKLCFDETQMIGE-BFHYXJOUSA-N 2 0 368.482 0.217 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130820559 1202809809 /nfs/dbraw/zinc/80/98/09/1202809809.db2.gz YCNMVMCEYJWRLZ-UONOGXRCSA-N 2 0 370.473 0.930 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC001131061859 1202854165 /nfs/dbraw/zinc/85/41/65/1202854165.db2.gz OXDGVUFDWUKZEY-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131128255 1202868449 /nfs/dbraw/zinc/86/84/49/1202868449.db2.gz ZYVWRRWAEOIXGI-IAGOWNOFSA-N 2 0 363.506 0.827 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001086659140 1202871947 /nfs/dbraw/zinc/87/19/47/1202871947.db2.gz LODHQIABIOXGEB-ZNMIVQPWSA-N 2 0 363.510 0.897 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131496079 1202903557 /nfs/dbraw/zinc/90/35/57/1202903557.db2.gz NXGXXWMYTCEJPR-OTWHNJEPSA-N 2 0 365.518 0.696 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131522292 1202910421 /nfs/dbraw/zinc/91/04/21/1202910421.db2.gz AHWUTLFIFYUHEK-IMJJTQAJSA-N 2 0 368.522 0.576 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564747 1202914828 /nfs/dbraw/zinc/91/48/28/1202914828.db2.gz UCELLMVMXXKPFA-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)N(C)C ZINC001131564165 1202914908 /nfs/dbraw/zinc/91/49/08/1202914908.db2.gz DYTXOZHLFRZTHJ-KYJSFNMBSA-N 2 0 368.522 0.401 20 0 FCADRP COCCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564129 1202915019 /nfs/dbraw/zinc/91/50/19/1202915019.db2.gz CJPQRAVVJDZKFT-MJGOQNOKSA-N 2 0 371.522 0.587 20 0 FCADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1)[NH+](C)C ZINC001131570678 1202915389 /nfs/dbraw/zinc/91/53/89/1202915389.db2.gz NKWYGROQTNHENY-SQNIBIBYSA-N 2 0 371.522 0.321 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131592989 1202917295 /nfs/dbraw/zinc/91/72/95/1202917295.db2.gz GJELHXJBEJJRMV-SUMDDJOVSA-N 2 0 371.522 0.585 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131609006 1202920597 /nfs/dbraw/zinc/92/05/97/1202920597.db2.gz UKGMVMFKAGMZHS-RYRKJORJSA-N 2 0 366.506 0.201 20 0 FCADRP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001158532219 1202938984 /nfs/dbraw/zinc/93/89/84/1202938984.db2.gz AAQUAQXFFDJINX-DBXWQHBBSA-N 2 0 370.497 0.973 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001086700450 1202974640 /nfs/dbraw/zinc/97/46/40/1202974640.db2.gz ROXPEKBFMCZKRZ-QKPAOTATSA-N 2 0 364.490 0.350 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)[C@@H](c2ccccc2)C1 ZINC001134126148 1203015691 /nfs/dbraw/zinc/01/56/91/1203015691.db2.gz BAOVYDBMAIGVQB-KSZLIROESA-N 2 0 368.485 0.817 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086784983 1203092219 /nfs/dbraw/zinc/09/22/19/1203092219.db2.gz DRPXVKWMWSVMHZ-XHSDSOJGSA-N 2 0 364.494 0.299 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001086792900 1203094710 /nfs/dbraw/zinc/09/47/10/1203094710.db2.gz PVUCKHJVJXKOHV-DOTOQJQBSA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000817926530 1203126624 /nfs/dbraw/zinc/12/66/24/1203126624.db2.gz MGUZMRUSLPURDH-RBUKOAKNSA-N 2 0 372.513 0.830 20 0 FCADRP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819004968 1203147714 /nfs/dbraw/zinc/14/77/14/1203147714.db2.gz VXRLEEVVCCFWJW-PBHICJAKSA-N 2 0 365.474 0.914 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2ccccn2)CC1 ZINC001220137258 1224783332 /nfs/dbraw/zinc/78/33/32/1224783332.db2.gz YVJYYZABRMBXIF-GJZGRUSLSA-N 2 0 359.474 0.634 20 0 FCADRP O=C(NC1(CCO)COC1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220173320 1224793766 /nfs/dbraw/zinc/79/37/66/1224793766.db2.gz MUWYRKCMIGKEBW-WIYYLYMNSA-N 2 0 373.497 0.756 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC[N@H+](Cc2ccccc2)C1 ZINC001220228253 1224809591 /nfs/dbraw/zinc/80/95/91/1224809591.db2.gz GFEAMKDWLIHPAL-YAJHFMINSA-N 2 0 372.469 0.142 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228794 1224810322 /nfs/dbraw/zinc/81/03/22/1224810322.db2.gz YDPORHSTZVCXIA-LPHOPBHVSA-N 3 0 362.474 0.377 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220233822 1224811557 /nfs/dbraw/zinc/81/15/57/1224811557.db2.gz IKOZYFNUEXWUEW-MOPGFXCFSA-N 2 0 371.485 0.875 20 0 FCADRP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237931 1224812940 /nfs/dbraw/zinc/81/29/40/1224812940.db2.gz IINOFQGGLZPERQ-QRVBRYPASA-N 2 0 363.502 0.747 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@@H]1O ZINC001220275411 1224819244 /nfs/dbraw/zinc/81/92/44/1224819244.db2.gz XOYPIKOGUHCSGF-MOPGFXCFSA-N 2 0 371.485 0.663 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1cccc(N2CC[NH2+]CC2)c1 ZINC001220313351 1224826075 /nfs/dbraw/zinc/82/60/75/1224826075.db2.gz NBEYTDHWZUCDHI-UHFFFAOYSA-N 2 0 354.458 0.716 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220323247 1224829373 /nfs/dbraw/zinc/82/93/73/1224829373.db2.gz DUBCJTVGXSCTKT-VZYKRBATSA-N 2 0 370.453 0.126 20 0 FCADRP Cc1cc(N2C[C@@H](NC(=O)CN(C)Cc3ccccc3)[C@@H](O)C2)nc(C)n1 ZINC001091121584 1204522780 /nfs/dbraw/zinc/52/27/80/1204522780.db2.gz IAOCKEWPOYFRRJ-MSOLQXFVSA-N 2 0 369.469 0.891 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000846143278 1204596244 /nfs/dbraw/zinc/59/62/44/1204596244.db2.gz DDDAPIPZGSNEAQ-ZKXLYKBJSA-N 2 0 366.506 0.778 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353244 1224840434 /nfs/dbraw/zinc/84/04/34/1224840434.db2.gz HQNWBCMWVBRZNM-ZWKOTPCHSA-N 2 0 374.485 0.467 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCN1 ZINC001220356845 1224840883 /nfs/dbraw/zinc/84/08/83/1224840883.db2.gz FMRDAMPTYXDBDY-ZACQAIPSSA-N 2 0 360.458 0.123 20 0 FCADRP N[C@]1(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC[NH2+]C1 ZINC001220356704 1224841282 /nfs/dbraw/zinc/84/12/82/1224841282.db2.gz CXJZLPXAFHTGTB-JTDSTZFVSA-N 2 0 360.458 0.253 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001144934344 1204660611 /nfs/dbraw/zinc/66/06/11/1204660611.db2.gz XZLYEARQZDYCFN-FUHWJXTLSA-N 2 0 371.485 0.982 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CC[NH+](CCO)C3)ccn2)CC[N@@H+]1C ZINC001091401442 1204668714 /nfs/dbraw/zinc/66/87/14/1204668714.db2.gz YZSDFGKVUNVUMT-FHLIZLRMSA-N 2 0 362.474 0.483 20 0 FCADRP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673479 /nfs/dbraw/zinc/67/34/79/1204673479.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 0 366.458 0.520 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673568 /nfs/dbraw/zinc/67/35/68/1204673568.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 0 370.538 0.926 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091740687 1204837709 /nfs/dbraw/zinc/83/77/09/1204837709.db2.gz CKRJRJWAAXWJRP-UZLBHIALSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)n3c(C)ncc(C[NH3+])c3=N)cc2)CC1 ZINC001149010277 1204845724 /nfs/dbraw/zinc/84/57/24/1204845724.db2.gz GJNZCBJCWRVFOC-UHFFFAOYSA-N 2 0 354.458 0.960 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001086855438 1204850406 /nfs/dbraw/zinc/85/04/06/1204850406.db2.gz ZGPRWYOUZGCLBX-SQWLQELKSA-N 2 0 359.474 0.866 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001086970975 1204870719 /nfs/dbraw/zinc/87/07/19/1204870719.db2.gz QLQATNOBGLSVCB-IPMKNSEASA-N 2 0 368.485 0.994 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087000702 1204889507 /nfs/dbraw/zinc/88/95/07/1204889507.db2.gz KZLWUANLZOPKCK-KSZLIROESA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001087009350 1204896636 /nfs/dbraw/zinc/89/66/36/1204896636.db2.gz BAOLMLBIASYFSG-ZWKOTPCHSA-N 2 0 371.489 0.334 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087055534 1204935590 /nfs/dbraw/zinc/93/55/90/1204935590.db2.gz RSVACABKVYLQSD-JOCBIADPSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087059735 1204944090 /nfs/dbraw/zinc/94/40/90/1204944090.db2.gz SJCWJVLGRDYUSU-NVXWUHKLSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087059788 1204944335 /nfs/dbraw/zinc/94/43/35/1204944335.db2.gz VMDZAUAJIHRZTQ-RHSMWYFYSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087059620 1204944822 /nfs/dbraw/zinc/94/48/22/1204944822.db2.gz MWFUSWGTDWPLME-GDBMZVCRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087059887 1204945853 /nfs/dbraw/zinc/94/58/53/1204945853.db2.gz ZHGVFGQTHHSUAS-GDBMZVCRSA-N 2 0 364.494 0.551 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087060994 1204948425 /nfs/dbraw/zinc/94/84/25/1204948425.db2.gz JETVROLAVNDXND-NUJGCVRESA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087063090 1204949663 /nfs/dbraw/zinc/94/96/63/1204949663.db2.gz IGTCRJLDYHOMKB-BZUAXINKSA-N 2 0 364.494 0.551 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087063397 1204950443 /nfs/dbraw/zinc/95/04/43/1204950443.db2.gz WSUKLNCVTXSLAE-IXDOHACOSA-N 2 0 361.490 0.914 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087063091 1204950765 /nfs/dbraw/zinc/95/07/65/1204950765.db2.gz IGTCRJLDYHOMKB-OWCLPIDISA-N 2 0 364.494 0.551 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087062972 1204950813 /nfs/dbraw/zinc/95/08/13/1204950813.db2.gz CXTCYBFBOWIYIH-BPQIPLTHSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087063068 1204950816 /nfs/dbraw/zinc/95/08/16/1204950816.db2.gz HMHUMCJRAJTGND-HYVNUMGLSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083907 1204972372 /nfs/dbraw/zinc/97/23/72/1204972372.db2.gz XJYLGVGNPYVGET-LZLYRXPVSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087079344 1204989781 /nfs/dbraw/zinc/98/97/81/1204989781.db2.gz KSKPQGWIPMSEFV-IAGOWNOFSA-N 2 0 361.490 0.772 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001220415707 1224864188 /nfs/dbraw/zinc/86/41/88/1224864188.db2.gz UEANPDJBZGLQNX-AWEZNQCLSA-N 2 0 359.430 0.192 20 0 FCADRP Cc1c(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807473 1205020560 /nfs/dbraw/zinc/02/05/60/1205020560.db2.gz FWZLYJOBFPHLAR-KSMMKXTCSA-N 2 0 355.442 0.910 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809659 1205021247 /nfs/dbraw/zinc/02/12/47/1205021247.db2.gz ORKKSNPSSKTMSF-HLIPFELVSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776757 1205024602 /nfs/dbraw/zinc/02/46/02/1205024602.db2.gz ONQZALYVEXPZHF-GJYPPUQNSA-N 2 0 362.518 0.907 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001091819026 1205041377 /nfs/dbraw/zinc/04/13/77/1205041377.db2.gz NHJQMPCSNYCPJX-GJYPPUQNSA-N 2 0 360.502 0.674 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)C1 ZINC001092015429 1205114572 /nfs/dbraw/zinc/11/45/72/1205114572.db2.gz QGKXWOBIPHLJJG-UZLBHIALSA-N 2 0 362.518 0.731 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087682 1205138765 /nfs/dbraw/zinc/13/87/65/1205138765.db2.gz KCFHGIWPWFJGIY-SUMDDJOVSA-N 2 0 363.506 0.874 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145230 1205170552 /nfs/dbraw/zinc/17/05/52/1205170552.db2.gz ISMHCAXRDLRUKK-OGWOLHLISA-N 2 0 366.506 0.141 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092203934 1205198202 /nfs/dbraw/zinc/19/82/02/1205198202.db2.gz OIRVYJHVTOZYFG-NRXGSXMXSA-N 2 0 357.458 0.430 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092275164 1205222689 /nfs/dbraw/zinc/22/26/89/1205222689.db2.gz ROIRGCKISYJIQO-MDZRGWNJSA-N 2 0 358.490 0.642 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3C[NH2+]C[C@H]3O)nc3ccc(C)cc3n12 ZINC001220456220 1224877913 /nfs/dbraw/zinc/87/79/13/1224877913.db2.gz HKNPDIIUQZYDSH-CZUORRHYSA-N 2 0 368.441 0.371 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3C[C@H](O)C[NH2+]3)nc3ccc(C)cc3n12 ZINC001220456158 1224878177 /nfs/dbraw/zinc/87/81/77/1224878177.db2.gz DRAKCTXOMIAIPY-ZFWWWQNUSA-N 2 0 368.441 0.514 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3C[NH2+]C[C@@H]3O)nc3ccc(C)cc3n12 ZINC001220456219 1224878214 /nfs/dbraw/zinc/87/82/14/1224878214.db2.gz HKNPDIIUQZYDSH-CJNGLKHVSA-N 2 0 368.441 0.371 20 0 FCADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC001220499718 1224892786 /nfs/dbraw/zinc/89/27/86/1224892786.db2.gz BQNFBJYGXWHBRJ-JXXFODFXSA-N 2 0 350.422 0.912 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]C1 ZINC001220522642 1224905165 /nfs/dbraw/zinc/90/51/65/1224905165.db2.gz BYVPPUKNDHUZQR-RDJZCZTQSA-N 2 0 361.442 0.234 20 0 FCADRP N[C@@H](C[NH3+])C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533343 1224910985 /nfs/dbraw/zinc/91/09/85/1224910985.db2.gz NPNIARRGROHUFG-MOPGFXCFSA-N 2 0 356.470 0.452 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911456 1205940714 /nfs/dbraw/zinc/94/07/14/1205940714.db2.gz RUBCURJWNAJLGM-JFIYKMOQSA-N 2 0 363.506 0.713 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911537 1205941173 /nfs/dbraw/zinc/94/11/73/1205941173.db2.gz SUOXYSNLFXLJAR-NXHRZFHOSA-N 2 0 363.506 0.713 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935439 1205962256 /nfs/dbraw/zinc/96/22/56/1205962256.db2.gz YFSCQWJBZOQILC-NXHRZFHOSA-N 2 0 363.506 0.270 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134038 1206032319 /nfs/dbraw/zinc/03/23/19/1206032319.db2.gz UHUYFBWQCDVMPM-IXDOHACOSA-N 2 0 362.518 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093285680 1206072683 /nfs/dbraw/zinc/07/26/83/1206072683.db2.gz SJIPPRNANSKXOK-FVQBIDKESA-N 2 0 364.490 0.208 20 0 FCADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001093774709 1206114039 /nfs/dbraw/zinc/11/40/39/1206114039.db2.gz RDASCDUSSAXDFF-KYJSFNMBSA-N 2 0 360.506 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093890563 1206145211 /nfs/dbraw/zinc/14/52/11/1206145211.db2.gz RGOBDUXQUUWYJL-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093893998 1206152195 /nfs/dbraw/zinc/15/21/95/1206152195.db2.gz DZODXXAKCAYBBM-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093940220 1206163554 /nfs/dbraw/zinc/16/35/54/1206163554.db2.gz ZXYQMTVRUDGAIN-KYJSFNMBSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093998353 1206166691 /nfs/dbraw/zinc/16/66/91/1206166691.db2.gz PUKQYWQBOROUFV-UKRRQHHQSA-N 2 0 360.462 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001094137067 1206191181 /nfs/dbraw/zinc/19/11/81/1206191181.db2.gz GASICXQCJAERNG-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094219873 1206203007 /nfs/dbraw/zinc/20/30/07/1206203007.db2.gz VDSSPTCCPHKIGP-FHLIZLRMSA-N 2 0 358.486 0.921 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001094221215 1206203667 /nfs/dbraw/zinc/20/36/67/1206203667.db2.gz YKUBGJIYWQTJRH-HZPDHXFCSA-N 2 0 363.510 0.753 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1 ZINC001094224307 1206204395 /nfs/dbraw/zinc/20/43/95/1206204395.db2.gz CUPIPWAQVXIQJN-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132732 1206256773 /nfs/dbraw/zinc/25/67/73/1206256773.db2.gz NOHNROJBUAOISN-VSZNYVQBSA-N 2 0 362.518 0.870 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001172118865 1206258160 /nfs/dbraw/zinc/25/81/60/1206258160.db2.gz TYIKTYMCUWQQSR-REPLKXPHSA-N 3 0 373.538 0.616 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169138 1206258464 /nfs/dbraw/zinc/25/84/64/1206258464.db2.gz DLSTWLXFEKGDEO-ZWKOTPCHSA-N 2 0 372.513 0.964 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175211233 1206301571 /nfs/dbraw/zinc/30/15/71/1206301571.db2.gz LHQOSZLEYZJSGF-BBWFWOEESA-N 2 0 358.490 0.397 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3ccon3)[C@@H]2C)CC[N@@H+]1C ZINC001178736298 1206363892 /nfs/dbraw/zinc/36/38/92/1206363892.db2.gz TZQRDKUFQDKSLW-ZQDZILKHSA-N 2 0 363.462 0.922 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181573053 1206411301 /nfs/dbraw/zinc/41/13/01/1206411301.db2.gz UQMSEQUCKWECJS-INIZCTEOSA-N 2 0 359.474 0.751 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1([NH+](C)C)CC1)CCC2 ZINC001182596983 1206439341 /nfs/dbraw/zinc/43/93/41/1206439341.db2.gz MSJDAHPEFGXMLP-UHFFFAOYSA-N 2 0 361.490 0.910 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001182654241 1206441650 /nfs/dbraw/zinc/44/16/50/1206441650.db2.gz GWRAZBXFVKDKKY-QBPKDAKJSA-N 2 0 362.474 0.352 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693001 1206442420 /nfs/dbraw/zinc/44/24/20/1206442420.db2.gz QOXDSULJDRVWQF-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000774782467 1206473151 /nfs/dbraw/zinc/47/31/51/1206473151.db2.gz WUKMGPOLKVOZRM-FGTMMUONSA-N 2 0 374.485 0.385 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000774886841 1206481451 /nfs/dbraw/zinc/48/14/51/1206481451.db2.gz BEKDRLNEHGRTNV-HZPDHXFCSA-N 2 0 366.506 0.347 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273510400 1206487423 /nfs/dbraw/zinc/48/74/23/1206487423.db2.gz GCXHQAHMHQLOMR-OWSLCNJRSA-N 2 0 360.502 0.624 20 0 FCADRP O=C(CN1CC[C@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001186043794 1206492043 /nfs/dbraw/zinc/49/20/43/1206492043.db2.gz AQFCHCRUUVWFJI-LBPRGKRZSA-N 2 0 373.379 0.647 20 0 FCADRP COC(=O)[C@H]1CCN(CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)C1 ZINC001186107444 1206493380 /nfs/dbraw/zinc/49/33/80/1206493380.db2.gz SVWJUBNHAGQWTN-OKZBNKHCSA-N 2 0 372.469 0.752 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)C1 ZINC001186353321 1206495648 /nfs/dbraw/zinc/49/56/48/1206495648.db2.gz FJBBEWCAMIGYTB-ZDUSSCGKSA-N 2 0 356.430 0.985 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCC[N@H+](C)C2)CC3)CC1 ZINC001186353214 1206495652 /nfs/dbraw/zinc/49/56/52/1206495652.db2.gz CYYPFNJFYJVWEC-INIZCTEOSA-N 2 0 360.506 0.315 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C ZINC001110385959 1206510591 /nfs/dbraw/zinc/51/05/91/1206510591.db2.gz BYFJLASOUUQRKG-WCVJEAGWSA-N 2 0 365.522 0.900 20 0 FCADRP COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220627966 1224975193 /nfs/dbraw/zinc/97/51/93/1224975193.db2.gz NMKIGDBWAFRFBU-QFBILLFUSA-N 2 0 362.474 0.027 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001220624192 1224975341 /nfs/dbraw/zinc/97/53/41/1224975341.db2.gz HLHSRAGSVOXXCH-LSDHHAIUSA-N 2 0 374.407 0.605 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651211 1224990810 /nfs/dbraw/zinc/99/08/10/1224990810.db2.gz GXSLHJDJEQBROP-INIZCTEOSA-N 2 0 361.490 0.202 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273546641 1207387518 /nfs/dbraw/zinc/38/75/18/1207387518.db2.gz BWYAWFFIPHTUTH-LJQANCHMSA-N 2 0 366.506 0.648 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC001188355439 1207450750 /nfs/dbraw/zinc/45/07/50/1207450750.db2.gz BRIYQRQWZIACKG-UHFFFAOYSA-N 2 0 354.458 0.566 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405127 1207454162 /nfs/dbraw/zinc/45/41/62/1207454162.db2.gz AAZIUMYBLOUGAI-CGTJXYLNSA-N 2 0 362.474 0.448 20 0 FCADRP Cc1c(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)ccc2c[nH+]cn21 ZINC001188405659 1207454885 /nfs/dbraw/zinc/45/48/85/1207454885.db2.gz MJFUYNMKFUWBKG-MAUKXSAKSA-N 2 0 358.442 0.798 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126643 1207509466 /nfs/dbraw/zinc/50/94/66/1207509466.db2.gz JCGDWNWVBBWVJV-BPQIPLTHSA-N 2 0 366.506 0.014 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCN3CCOCC3)[C@@H]2C1 ZINC001189426550 1207547920 /nfs/dbraw/zinc/54/79/20/1207547920.db2.gz YVBRUAWNWWGCRC-RCCFBDPRSA-N 2 0 369.506 0.029 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820142 1207606310 /nfs/dbraw/zinc/60/63/10/1207606310.db2.gz RNOSXXPYSDIACK-YESZJQIVSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[C@@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801967 1207610897 /nfs/dbraw/zinc/61/08/97/1207610897.db2.gz PBAXGDZOIKRLJH-IXDOHACOSA-N 2 0 368.522 0.258 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001189913440 1207620116 /nfs/dbraw/zinc/62/01/16/1207620116.db2.gz QXERJLHLHJOWDF-ZWKOTPCHSA-N 2 0 368.522 0.404 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680467 1225008922 /nfs/dbraw/zinc/00/89/22/1225008922.db2.gz CXCBJRPHRMUQOX-BIVLZKPYSA-N 3 0 365.522 0.223 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688829 1225014938 /nfs/dbraw/zinc/01/49/38/1225014938.db2.gz RBKWLGFUUJOVCH-OTWHNJEPSA-N 2 0 363.502 0.483 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690148 1225017410 /nfs/dbraw/zinc/01/74/10/1225017410.db2.gz RXBJRDIENJLNCT-LPHOPBHVSA-N 2 0 358.486 0.868 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737649 1207886560 /nfs/dbraw/zinc/88/65/60/1207886560.db2.gz DNBZFSUGCMJPBV-KZNAEPCWSA-N 2 0 369.506 0.218 20 0 FCADRP C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774010 1207887980 /nfs/dbraw/zinc/88/79/80/1207887980.db2.gz FTXFWXJBACDABG-ARFHVFGLSA-N 2 0 366.506 0.033 20 0 FCADRP CCC(CC)NC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773718 1207888028 /nfs/dbraw/zinc/88/80/28/1207888028.db2.gz CDINUHNATSEYDW-NUEKZKHPSA-N 2 0 368.522 0.325 20 0 FCADRP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)cc1F ZINC001193791600 1207889370 /nfs/dbraw/zinc/88/93/70/1207889370.db2.gz MKQZMVXUKPROJB-IAGOWNOFSA-N 2 0 365.449 0.980 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1n[nH]c2c1CN(C(=O)C[N@@H+](C)CC)C2 ZINC001273667039 1207897102 /nfs/dbraw/zinc/89/71/02/1207897102.db2.gz ZZFUIIYSJJYUJW-UHFFFAOYSA-N 2 0 364.494 0.617 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184893 1208064738 /nfs/dbraw/zinc/06/47/38/1208064738.db2.gz JWYLUNYRHVYLQQ-RTBURBONSA-N 2 0 363.502 0.992 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196207160 1208066270 /nfs/dbraw/zinc/06/62/70/1208066270.db2.gz LGZVULHKUYDDAN-KZNAEPCWSA-N 2 0 363.502 0.859 20 0 FCADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196298897 1208073138 /nfs/dbraw/zinc/07/31/38/1208073138.db2.gz FDYJVSYNXFBDGB-FCGDIQPGSA-N 2 0 361.486 0.530 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)C(C)C ZINC001197018154 1208132291 /nfs/dbraw/zinc/13/22/91/1208132291.db2.gz NTZSDUFBXMCOLC-KZNAEPCWSA-N 2 0 365.522 0.490 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CC1 ZINC001197320360 1208153424 /nfs/dbraw/zinc/15/34/24/1208153424.db2.gz YDQLIGCLHCOSJP-KURKYZTESA-N 2 0 369.506 0.074 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O ZINC001197723443 1208190489 /nfs/dbraw/zinc/19/04/89/1208190489.db2.gz HWXVVTYAAWSGDT-IAGOWNOFSA-N 2 0 370.538 0.575 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O ZINC001197825800 1208201752 /nfs/dbraw/zinc/20/17/52/1208201752.db2.gz ILBIOVDSUQNZAI-QZTJIDSGSA-N 2 0 367.465 0.498 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)c1ccccc1 ZINC001197826214 1208201795 /nfs/dbraw/zinc/20/17/95/1208201795.db2.gz QZKDDIVIMGHWSG-KURKYZTESA-N 2 0 365.474 0.114 20 0 FCADRP Cc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826061 1208202062 /nfs/dbraw/zinc/20/20/62/1208202062.db2.gz OOLISNKVIAFLPF-RTBURBONSA-N 2 0 363.502 0.667 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699353 1208279361 /nfs/dbraw/zinc/27/93/61/1208279361.db2.gz OFTOYBQRMIWKKK-QXAKKESOSA-N 2 0 361.486 0.625 20 0 FCADRP COc1cc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)ccn1 ZINC001199071187 1208315635 /nfs/dbraw/zinc/31/56/35/1208315635.db2.gz NFJYMSWGDDUHDH-IAGOWNOFSA-N 2 0 362.474 0.628 20 0 FCADRP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111895 1208321656 /nfs/dbraw/zinc/32/16/56/1208321656.db2.gz RCHHXZVZSYOVOB-GUDVDZBRSA-N 2 0 363.502 0.746 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(OC2CCOCC2)nc1 ZINC001199521317 1208359291 /nfs/dbraw/zinc/35/92/91/1208359291.db2.gz XKFDICMFASRWMF-UHFFFAOYSA-N 2 0 364.450 0.712 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)c1ccccc1 ZINC001220768555 1225062516 /nfs/dbraw/zinc/06/25/16/1225062516.db2.gz QZKDDIVIMGHWSG-FGTMMUONSA-N 2 0 365.474 0.114 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CCCC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001273848889 1208432656 /nfs/dbraw/zinc/43/26/56/1208432656.db2.gz VNBHQQBZOVWSEQ-UHFFFAOYSA-N 2 0 365.566 0.498 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1)C1CC1 ZINC001220772057 1225064352 /nfs/dbraw/zinc/06/43/52/1225064352.db2.gz JRQUJNLPDGQIHP-BPQIPLTHSA-N 2 0 362.474 0.738 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCCC3)CC2)O1 ZINC001201229380 1208449408 /nfs/dbraw/zinc/44/94/08/1208449408.db2.gz BHRHLUBSQXFNFJ-RHSMWYFYSA-N 2 0 366.506 0.345 20 0 FCADRP CCN1CCN(C(=O)CC2CCN(CN3CC(=O)N(C)C3=O)CC2)CC1 ZINC000776199796 1208460552 /nfs/dbraw/zinc/46/05/52/1208460552.db2.gz DIBAIQWSUMUPSM-UHFFFAOYSA-N 2 0 365.478 0.104 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574428 1208479277 /nfs/dbraw/zinc/47/92/77/1208479277.db2.gz MZGZUURWSDSGOF-AHCXZYCDSA-N 2 0 363.506 0.941 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)C1=O ZINC001489202619 1208664302 /nfs/dbraw/zinc/66/43/02/1208664302.db2.gz LTTMRVBBEABSGI-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001489206130 1208670048 /nfs/dbraw/zinc/67/00/48/1208670048.db2.gz OWJFTIKIJKVQSI-CEXWTWQISA-N 2 0 367.534 0.894 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220802956 1225081452 /nfs/dbraw/zinc/08/14/52/1225081452.db2.gz AKTSVEGUNSILLQ-MCIONIFRSA-N 2 0 372.391 0.329 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220826015 1225090348 /nfs/dbraw/zinc/09/03/48/1225090348.db2.gz XVSRNSVRPFMYJH-INIZCTEOSA-N 2 0 362.430 0.280 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2ccccc2N2CC[NH+](C)CC2)C[NH2+]C1 ZINC001220833948 1225097197 /nfs/dbraw/zinc/09/71/97/1225097197.db2.gz AHKHBBXIQNPMPU-UHFFFAOYSA-N 2 0 358.442 0.589 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2ccccc2CN2CC[NH+](C)CC2)C[NH2+]C1 ZINC001220834054 1225097399 /nfs/dbraw/zinc/09/73/99/1225097399.db2.gz GCIJTWZLYVBRQE-UHFFFAOYSA-N 2 0 372.469 0.584 20 0 FCADRP COC(=O)[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])CN1)c1c[nH]c2ccc(OC)cc21 ZINC001220842885 1225102883 /nfs/dbraw/zinc/10/28/83/1225102883.db2.gz CIQPLJNPIAHMBH-JJMVLAAESA-N 2 0 360.414 0.239 20 0 FCADRP CCOC(=O)C1(NC(=O)C[C@@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C[NH2+]C1 ZINC001220851307 1225107954 /nfs/dbraw/zinc/10/79/54/1225107954.db2.gz PXTUZJCKNOOAHB-JKSUJKDBSA-N 2 0 361.442 0.345 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@]3(N)CC[NH2+]C3)CC2)c1 ZINC001220913144 1225136827 /nfs/dbraw/zinc/13/68/27/1225136827.db2.gz JNVYYULRSGETIT-IBGZPJMESA-N 2 0 360.458 0.245 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC001220913599 1225137020 /nfs/dbraw/zinc/13/70/20/1225137020.db2.gz WWWXAJVJGYTXOP-IRXDYDNUSA-N 2 0 361.442 0.277 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000850863979 1209493410 /nfs/dbraw/zinc/49/34/10/1209493410.db2.gz IEMJFMPMTYIXST-CQSZACIVSA-N 2 0 361.490 0.880 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000852921350 1209577272 /nfs/dbraw/zinc/57/72/72/1209577272.db2.gz HURCRMITEROMHQ-MOPGFXCFSA-N 2 0 372.513 0.959 20 0 FCADRP [NH3+][C@@H](C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C1CC[NH2+]CC1 ZINC001220928016 1225145761 /nfs/dbraw/zinc/14/57/61/1225145761.db2.gz DBQFLKLYRJFGGY-QGZVFWFLSA-N 2 0 359.474 0.377 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001110662320 1209587501 /nfs/dbraw/zinc/58/75/01/1209587501.db2.gz LHNHCODTVOAJAB-VXIBKDFQSA-N 2 0 358.486 0.947 20 0 FCADRP Cc1ccc([C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)N2CCC([NH3+])CC2)cc1 ZINC001220937538 1225148561 /nfs/dbraw/zinc/14/85/61/1225148561.db2.gz UTMCCZVTLCQSCY-OALUTQOASA-N 2 0 360.502 0.954 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673625 1209607617 /nfs/dbraw/zinc/60/76/17/1209607617.db2.gz KAYYTQHYVMHGGX-XDNAFOTISA-N 2 0 369.506 0.216 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2ncccn2)CC1 ZINC001220934288 1225147481 /nfs/dbraw/zinc/14/74/81/1225147481.db2.gz MMBFPKAMVSYAQN-KBPBESRZSA-N 2 0 360.462 0.029 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000858192583 1209779758 /nfs/dbraw/zinc/77/97/58/1209779758.db2.gz NLDUPHWKYYQKCU-SJORKVTESA-N 2 0 366.506 0.746 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1cc[nH+]cc1 ZINC001110747594 1209792816 /nfs/dbraw/zinc/79/28/16/1209792816.db2.gz VAOFYTYRZCQADS-KURKYZTESA-N 2 0 369.473 0.921 20 0 FCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000861543764 1209870473 /nfs/dbraw/zinc/87/04/73/1209870473.db2.gz FZZQQELKKLICJE-QGZVFWFLSA-N 2 0 373.501 0.881 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741324 1209878528 /nfs/dbraw/zinc/87/85/28/1209878528.db2.gz ZXZFLSYMONUZRT-RHSMWYFYSA-N 2 0 364.490 1.000 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000861745480 1209879179 /nfs/dbraw/zinc/87/91/79/1209879179.db2.gz MKDOGDDMYTXPSG-WBVHZDCISA-N 2 0 362.474 0.199 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001220981123 1225171959 /nfs/dbraw/zinc/17/19/59/1225171959.db2.gz LOELIFLSKDVSLY-QRQLOZEOSA-N 2 0 361.486 0.359 20 0 FCADRP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(F)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000865894328 1209987375 /nfs/dbraw/zinc/98/73/75/1209987375.db2.gz KORUWSRYZSFXGN-HZPDHXFCSA-N 2 0 370.513 0.925 20 0 FCADRP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714730 1210004392 /nfs/dbraw/zinc/00/43/92/1210004392.db2.gz WCZKROCBYAGUTR-OIISXLGYSA-N 2 0 374.441 0.891 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004011 1225181966 /nfs/dbraw/zinc/18/19/66/1225181966.db2.gz ISZVDKYVBYIWOW-QAETUUGQSA-N 2 0 368.522 0.768 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc2F)CC1 ZINC000868248859 1210047431 /nfs/dbraw/zinc/04/74/31/1210047431.db2.gz XOWXFYUHBMKJRT-CYBMUJFWSA-N 2 0 365.453 0.617 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000868731335 1210073002 /nfs/dbraw/zinc/07/30/02/1210073002.db2.gz GTFRHXLEKIQARH-PTCDMQIASA-N 2 0 360.502 0.049 20 0 FCADRP C[NH+]1C[C@@H]2CCCN(C(=O)C(F)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000868967991 1210078619 /nfs/dbraw/zinc/07/86/19/1210078619.db2.gz UHDXQKVTYWIMDQ-CAOSSQGBSA-N 2 0 366.481 0.430 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221010181 1225185425 /nfs/dbraw/zinc/18/54/25/1225185425.db2.gz AXTRPZMCCCCBCQ-MSOLQXFVSA-N 2 0 372.513 0.734 20 0 FCADRP O=C(NCc1cn(Cc2ccncc2)cn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221025812 1225190586 /nfs/dbraw/zinc/19/05/86/1225190586.db2.gz ISBXOPYBOGHORS-KRWDZBQOSA-N 2 0 354.458 0.817 20 0 FCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000872300680 1210187803 /nfs/dbraw/zinc/18/78/03/1210187803.db2.gz ZPABKXDDHCJZCG-YLFCFFPRSA-N 2 0 363.506 0.641 20 0 FCADRP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221058396 1225202831 /nfs/dbraw/zinc/20/28/31/1225202831.db2.gz HQZZHGFAQOEGGE-MSOLQXFVSA-N 2 0 367.449 0.849 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875235954 1210355435 /nfs/dbraw/zinc/35/54/35/1210355435.db2.gz AFJUWSWBLICHLH-IRXDYDNUSA-N 2 0 366.506 0.603 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000875334009 1210366038 /nfs/dbraw/zinc/36/60/38/1210366038.db2.gz JFGNOEQQZSSJJQ-DOTOQJQBSA-N 2 0 368.522 0.448 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C[NH+](CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070519 1225208629 /nfs/dbraw/zinc/20/86/29/1225208629.db2.gz VMGKXOGAKLVMBF-QBBQCFRVSA-N 2 0 371.522 0.747 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070535 1225208787 /nfs/dbraw/zinc/20/87/87/1225208787.db2.gz WANANHFSTMAKCY-QOVIGXIDSA-N 2 0 369.506 0.532 20 0 FCADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981909 1210435488 /nfs/dbraw/zinc/43/54/88/1210435488.db2.gz ZNDKTJSUFMPBHM-JKIFEVAISA-N 2 0 364.469 0.473 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])cc1 ZINC000877238128 1210440939 /nfs/dbraw/zinc/44/09/39/1210440939.db2.gz YLHMBJHYZUOJTG-BBWFWOEESA-N 2 0 360.458 0.207 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877329875 1210443139 /nfs/dbraw/zinc/44/31/39/1210443139.db2.gz YYFPXDUYVUNUEG-GJZGRUSLSA-N 2 0 362.478 0.481 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221081639 1225213510 /nfs/dbraw/zinc/21/35/10/1225213510.db2.gz QZFZFXWPFBYRSX-QYZOEREBSA-N 2 0 367.534 0.965 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696408 1210495200 /nfs/dbraw/zinc/49/52/00/1210495200.db2.gz PGQZTFDVLXBULT-KANFNMMFSA-N 2 0 361.486 0.298 20 0 FCADRP COc1cccc(C2(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC[NH2+]CC2)c1 ZINC001221094344 1225220020 /nfs/dbraw/zinc/22/00/20/1225220020.db2.gz QSOYFKIMTJCNNH-VQIMIIECSA-N 3 0 358.486 0.589 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221113956 1225227431 /nfs/dbraw/zinc/22/74/31/1225227431.db2.gz HMIAUOICAHOQLC-HNNXBMFYSA-N 2 0 361.490 0.309 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221114094 1225227496 /nfs/dbraw/zinc/22/74/96/1225227496.db2.gz MRVKODXBIHCFOL-QZTJIDSGSA-N 2 0 371.529 0.893 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000883288681 1210661522 /nfs/dbraw/zinc/66/15/22/1210661522.db2.gz NYNSCZCTSJERMC-SFHVURJKSA-N 2 0 369.554 0.813 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332197 1210662436 /nfs/dbraw/zinc/66/24/36/1210662436.db2.gz PPPXUNYPICOUKK-QZTJIDSGSA-N 2 0 366.506 0.792 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883605317 1210673443 /nfs/dbraw/zinc/67/34/43/1210673443.db2.gz RYEHKWLTJRRGNZ-FUHWJXTLSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000883639302 1210677209 /nfs/dbraw/zinc/67/72/09/1210677209.db2.gz LKDXXARQFWWNKB-INIZCTEOSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCN1c1cc[nH+]cc1 ZINC000883642166 1210678289 /nfs/dbraw/zinc/67/82/89/1210678289.db2.gz FYKRLEGBUSFPBW-DJIMGWMZSA-N 2 0 357.458 0.472 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000883646680 1210678866 /nfs/dbraw/zinc/67/88/66/1210678866.db2.gz YKWQYSJEAVNCPI-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001221124176 1225230488 /nfs/dbraw/zinc/23/04/88/1225230488.db2.gz YUSUQACBWBSZFL-SFHVURJKSA-N 2 0 357.502 0.850 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CCN1c1cc[nH+]cc1 ZINC000883660508 1210682763 /nfs/dbraw/zinc/68/27/63/1210682763.db2.gz MGJMABRFEODJBZ-INIZCTEOSA-N 2 0 371.485 0.863 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883727928 1210685818 /nfs/dbraw/zinc/68/58/18/1210685818.db2.gz FWCIFCQQTBHROI-MRXNPFEDSA-N 2 0 365.522 0.986 20 0 FCADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+](CC1CCOCC1)CC2 ZINC001202566697 1210701903 /nfs/dbraw/zinc/70/19/03/1210701903.db2.gz GSLUPIZLZCGTLQ-UHFFFAOYSA-N 2 0 361.490 0.592 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280975 1210728614 /nfs/dbraw/zinc/72/86/14/1210728614.db2.gz YIDKMUTZNGKSNX-OAHLLOKOSA-N 2 0 374.407 0.851 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884340533 1210731206 /nfs/dbraw/zinc/73/12/06/1210731206.db2.gz KJPSIMYVJQKMTP-IEBWSBKVSA-N 2 0 373.501 0.850 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000884488826 1210738405 /nfs/dbraw/zinc/73/84/05/1210738405.db2.gz HVHJBXZHYHYWQE-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000884513414 1210742210 /nfs/dbraw/zinc/74/22/10/1210742210.db2.gz IEUBZKDGLUMUHV-BBTUJRGHSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884516959 1210742631 /nfs/dbraw/zinc/74/26/31/1210742631.db2.gz ZCNQJGKFRPBWFF-ULQDDVLXSA-N 2 0 364.490 0.099 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884557088 1210750268 /nfs/dbraw/zinc/75/02/68/1210750268.db2.gz GRSSSLLGZFPKCY-KRWDZBQOSA-N 2 0 359.474 0.373 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000884566398 1210752603 /nfs/dbraw/zinc/75/26/03/1210752603.db2.gz IZFDSAHJQAEUMS-MSOLQXFVSA-N 2 0 370.497 0.555 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000884580224 1210756433 /nfs/dbraw/zinc/75/64/33/1210756433.db2.gz WFCFAYNXENPGAN-DLBZAZTESA-N 2 0 373.501 0.263 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604593 1210760677 /nfs/dbraw/zinc/76/06/77/1210760677.db2.gz LOSQIVIINBXSEC-DZKDUJFISA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884604253 1210760839 /nfs/dbraw/zinc/76/08/39/1210760839.db2.gz CMRBBONOZXHEAR-JOCBIADPSA-N 2 0 358.486 0.676 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000884607947 1210761837 /nfs/dbraw/zinc/76/18/37/1210761837.db2.gz IQGHTRXTEGDELA-LSDHHAIUSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000884623939 1210764916 /nfs/dbraw/zinc/76/49/16/1210764916.db2.gz SLRGSOHNYDVEFL-CRAIPNDOSA-N 2 0 358.486 0.829 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000884623359 1210765001 /nfs/dbraw/zinc/76/50/01/1210765001.db2.gz ANUUQTSZSOTSDH-RDTXWAMCSA-N 2 0 356.470 0.584 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884626099 1210765563 /nfs/dbraw/zinc/76/55/63/1210765563.db2.gz AQVUUUHUAXOOPJ-LJQANCHMSA-N 2 0 370.497 0.808 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884639687 1210769850 /nfs/dbraw/zinc/76/98/50/1210769850.db2.gz GVQXDSSRWUFQHH-HZPDHXFCSA-N 2 0 364.490 0.101 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000884647738 1210771982 /nfs/dbraw/zinc/77/19/82/1210771982.db2.gz KHJSHEHIKWBKEP-ROUUACIJSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000884647932 1210772714 /nfs/dbraw/zinc/77/27/14/1210772714.db2.gz WCXJGVDEDLHIKF-FXAWDEMLSA-N 2 0 358.486 0.475 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CCCC2)CC1 ZINC000884656776 1210773877 /nfs/dbraw/zinc/77/38/77/1210773877.db2.gz SXSGLYPNUNBGJO-GJZGRUSLSA-N 2 0 364.490 0.099 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000884676352 1210778036 /nfs/dbraw/zinc/77/80/36/1210778036.db2.gz KOIPCPVEVGLNJZ-SFHVURJKSA-N 2 0 358.486 0.944 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884676762 1210778052 /nfs/dbraw/zinc/77/80/52/1210778052.db2.gz XGVJFOTWJVIDHW-AEFFLSMTSA-N 2 0 360.502 0.987 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000884691059 1210781465 /nfs/dbraw/zinc/78/14/65/1210781465.db2.gz VIQVPOBAFUHJSB-QAPCUYQASA-N 2 0 367.453 0.935 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000884691057 1210781553 /nfs/dbraw/zinc/78/15/53/1210781553.db2.gz VIQVPOBAFUHJSB-CRAIPNDOSA-N 2 0 367.453 0.935 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000884703475 1210783699 /nfs/dbraw/zinc/78/36/99/1210783699.db2.gz AUKZBBOSOFOQLO-DOTOQJQBSA-N 2 0 362.474 0.166 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715612 1210785771 /nfs/dbraw/zinc/78/57/71/1210785771.db2.gz YUBDAQVFMSEUCE-DOTOQJQBSA-N 2 0 358.486 0.868 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000884716611 1210787039 /nfs/dbraw/zinc/78/70/39/1210787039.db2.gz CWUXWPSBQNTYNR-SZMVWBNQSA-N 2 0 358.486 0.800 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000884783042 1210794296 /nfs/dbraw/zinc/79/42/96/1210794296.db2.gz PDXTZALXYLNECA-KGLIPLIRSA-N 2 0 372.460 0.871 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834569 1210800369 /nfs/dbraw/zinc/80/03/69/1210800369.db2.gz YPLQBVHLXLMAPH-RYQLBKOJSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835245 1210800521 /nfs/dbraw/zinc/80/05/21/1210800521.db2.gz NMLKMHKNAXDGND-SOLBZPMBSA-N 2 0 358.486 0.691 20 0 FCADRP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221151541 1225241499 /nfs/dbraw/zinc/24/14/99/1225241499.db2.gz IDRKGLXRDJEMKC-OAHLLOKOSA-N 2 0 357.458 0.414 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884890122 1210803228 /nfs/dbraw/zinc/80/32/28/1210803228.db2.gz PZNMSZCNNRXFIK-ROUUACIJSA-N 2 0 360.502 0.863 20 0 FCADRP [NH3+][C@@H](C(=O)NCc1ccnc(N2CCCCCC2=O)c1)C1CC[NH2+]CC1 ZINC001221153776 1225241867 /nfs/dbraw/zinc/24/18/67/1225241867.db2.gz PWCQDQRGPQBEQQ-GOSISDBHSA-N 2 0 359.474 0.932 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)cc1 ZINC000884982437 1210806325 /nfs/dbraw/zinc/80/63/25/1210806325.db2.gz BQBYURBZPXPOSP-WAOWUJCRSA-N 2 0 370.497 0.753 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884983276 1210807177 /nfs/dbraw/zinc/80/71/77/1210807177.db2.gz QAKJYPQIWKPKRQ-QZTJIDSGSA-N 2 0 358.486 0.896 20 0 FCADRP O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221153951 1225241987 /nfs/dbraw/zinc/24/19/87/1225241987.db2.gz VWLUDIQPPHPBSO-OAHLLOKOSA-N 2 0 372.473 0.492 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000885006809 1210807815 /nfs/dbraw/zinc/80/78/15/1210807815.db2.gz BPVWHRYWGBTUHN-OVYGPGRDSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000885005716 1210807865 /nfs/dbraw/zinc/80/78/65/1210807865.db2.gz YVMFMERQLUVFJK-YVSFHVDLSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000885136149 1210811469 /nfs/dbraw/zinc/81/14/69/1210811469.db2.gz MWPWYZROOLLBBY-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885154427 1210813389 /nfs/dbraw/zinc/81/33/89/1210813389.db2.gz WLMUQMCAPPJEQR-JLSDUUJJSA-N 2 0 358.486 0.616 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156601 1210813477 /nfs/dbraw/zinc/81/34/77/1210813477.db2.gz YQMALQWDMZCQNN-YJBOKZPZSA-N 2 0 358.486 0.617 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885155818 1210813597 /nfs/dbraw/zinc/81/35/97/1210813597.db2.gz CCUHQKTZDDEZQN-GOSISDBHSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872184 1210838912 /nfs/dbraw/zinc/83/89/12/1210838912.db2.gz LSBIXSYDYHNXMM-AZUAARDMSA-N 2 0 366.550 0.925 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887070838 1210845582 /nfs/dbraw/zinc/84/55/82/1210845582.db2.gz UNKZUSRAWBFGQR-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887070348 1210845587 /nfs/dbraw/zinc/84/55/87/1210845587.db2.gz KPMWSSBDSTZERO-GBESFXJTSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000887091509 1210847032 /nfs/dbraw/zinc/84/70/32/1210847032.db2.gz MONXVZJWDASKPS-BEFAXECRSA-N 2 0 357.458 0.473 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887091662 1210847118 /nfs/dbraw/zinc/84/71/18/1210847118.db2.gz RKQUZIUCEULXNI-GJZGRUSLSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000887091572 1210847133 /nfs/dbraw/zinc/84/71/33/1210847133.db2.gz OGGGUVLOWOLPLQ-OAGGEKHMSA-N 2 0 357.458 0.472 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887091740 1210847153 /nfs/dbraw/zinc/84/71/53/1210847153.db2.gz UYJXYRUFFIQOBT-OWCLPIDISA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000887091571 1210847178 /nfs/dbraw/zinc/84/71/78/1210847178.db2.gz OGGGUVLOWOLPLQ-HRCADAONSA-N 2 0 357.458 0.472 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001274098313 1210880109 /nfs/dbraw/zinc/88/01/09/1210880109.db2.gz MSTNXCDBVQQUBF-MDYRTPRTSA-N 2 0 360.502 0.530 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)CCC[NH+]2CCCC2)C3)CC1 ZINC001274102515 1210881770 /nfs/dbraw/zinc/88/17/70/1210881770.db2.gz UOOQNCQKWPNWAO-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001274195850 1210909006 /nfs/dbraw/zinc/90/90/06/1210909006.db2.gz VZFNKUOCOJWLDJ-WBVHZDCISA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933350 1210921005 /nfs/dbraw/zinc/92/10/05/1210921005.db2.gz NHTDFPXQCRWVHH-OGNFBWPZSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)n2)CC1 ZINC000889764798 1210949191 /nfs/dbraw/zinc/94/91/91/1210949191.db2.gz YKEJTLCODGQOEL-MSOLQXFVSA-N 2 0 373.501 0.505 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134547 1210967384 /nfs/dbraw/zinc/96/73/84/1210967384.db2.gz ZVHATPZGCRWEIH-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890141678 1210969427 /nfs/dbraw/zinc/96/94/27/1210969427.db2.gz ODCPTRHFRZQPAE-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1ccccc1 ZINC000174711093 1210985204 /nfs/dbraw/zinc/98/52/04/1210985204.db2.gz CWZQNWKEUYORDQ-UHFFFAOYSA-N 2 0 361.490 0.582 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CCC[NH+]4CCCCC4)CC3)[C@H]2C1 ZINC001274404701 1211046078 /nfs/dbraw/zinc/04/60/78/1211046078.db2.gz GPUGGHUUBDSMPQ-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001274419277 1211049864 /nfs/dbraw/zinc/04/98/64/1211049864.db2.gz RLBPNWNVMIWIJT-ICSRJNTNSA-N 2 0 364.534 0.583 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001274419403 1211050119 /nfs/dbraw/zinc/05/01/19/1211050119.db2.gz SHVWUQTWFJKIAT-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184437 1225258848 /nfs/dbraw/zinc/25/88/48/1225258848.db2.gz WHDSLCZGYMLWEG-XSLAGTTESA-N 2 0 374.485 0.618 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001221188617 1225261108 /nfs/dbraw/zinc/26/11/08/1225261108.db2.gz ZJDVBAVTBOKWDB-IRXDYDNUSA-N 2 0 373.457 0.198 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001221190658 1225262845 /nfs/dbraw/zinc/26/28/45/1225262845.db2.gz XHNKBKXKOUVTAC-INIZCTEOSA-N 2 0 373.453 0.905 20 0 FCADRP CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275104668 1211175836 /nfs/dbraw/zinc/17/58/36/1211175836.db2.gz XWPMAZJSDCAPBM-HXUWFJFHSA-N 2 0 366.550 0.975 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143367 1211179060 /nfs/dbraw/zinc/17/90/60/1211179060.db2.gz UGTVJWMYPGBHHC-AZUAARDMSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001275309253 1211213524 /nfs/dbraw/zinc/21/35/24/1211213524.db2.gz UXODKKJQKAUSBC-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP Cc1ncc(CO)c(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001275335536 1211216490 /nfs/dbraw/zinc/21/64/90/1211216490.db2.gz NEEJBXOPQSBPJC-LJQANCHMSA-N 2 0 362.474 0.716 20 0 FCADRP Cc1ncc(CO)c(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1O ZINC001275335864 1211217236 /nfs/dbraw/zinc/21/72/36/1211217236.db2.gz XBHFCAHUXMBWEE-LJQANCHMSA-N 2 0 362.474 0.574 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(CCC[NH+]1CCCCC1)C2 ZINC001275343518 1211219177 /nfs/dbraw/zinc/21/91/77/1211219177.db2.gz ONBJWLDSUSRTBV-HXUWFJFHSA-N 2 0 366.550 0.975 20 0 FCADRP CN1C[C@]2(CC[N@H+](Cc3ccc(CN4CCOCC4)cc3)C2)OCC1=O ZINC001275389259 1211228845 /nfs/dbraw/zinc/22/88/45/1211228845.db2.gz ALGQAABNRJPYDH-FQEVSTJZSA-N 2 0 359.470 0.952 20 0 FCADRP CC(C)OC(=O)CN1C[C@@]2(CCN(Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275446779 1211238937 /nfs/dbraw/zinc/23/89/37/1211238937.db2.gz BVQQYCIQXURXGD-SFHVURJKSA-N 2 0 362.430 0.249 20 0 FCADRP Nc1ccncc1C[N@@H+]1CCCC[C@@]12CC(=O)N(C[C@H]1CCC(=O)N1)C2 ZINC001275456235 1211242407 /nfs/dbraw/zinc/24/24/07/1211242407.db2.gz XGVIMTXXFJZOOW-BEFAXECRSA-N 2 0 357.458 0.730 20 0 FCADRP COC(C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1)OC ZINC001275493380 1211250601 /nfs/dbraw/zinc/25/06/01/1211250601.db2.gz JVORWTLEZBPPOB-IBGZPJMESA-N 2 0 368.522 0.167 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001275556657 1211256634 /nfs/dbraw/zinc/25/66/34/1211256634.db2.gz NMUZHBROUDIJHZ-FQEVSTJZSA-N 2 0 364.534 0.585 20 0 FCADRP CC1(C)OC[C@H](CN2C[C@@]3(CC[N@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736071 1211278308 /nfs/dbraw/zinc/27/83/08/1211278308.db2.gz AAHLPYBZJUGDIQ-LPHOPBHVSA-N 2 0 367.490 0.441 20 0 FCADRP O=C(NCCN1CCOCC1)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275736475 1211278645 /nfs/dbraw/zinc/27/86/45/1211278645.db2.gz DUHNQEIFIHQRNR-GOSISDBHSA-N 2 0 364.534 0.537 20 0 FCADRP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737827 1211279246 /nfs/dbraw/zinc/27/92/46/1211279246.db2.gz OWKJWSSEVPKDNR-IBGZPJMESA-N 2 0 364.490 0.305 20 0 FCADRP Cc1noc(CN2C[C@]3(CC2=O)COCC[N@H+](CC2CC[NH2+]CC2)C3)n1 ZINC001275738044 1211279260 /nfs/dbraw/zinc/27/92/60/1211279260.db2.gz SGHBXDBZRTYLPL-GOSISDBHSA-N 2 0 363.462 0.429 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738441 1211279333 /nfs/dbraw/zinc/27/93/33/1211279333.db2.gz ZFWLUKSSLXMLBN-HNAYVOBHSA-N 2 0 367.490 0.489 20 0 FCADRP Cn1cnnc1CN1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275749998 1211280684 /nfs/dbraw/zinc/28/06/84/1211280684.db2.gz CJLLUNXPCLMPJU-IBGZPJMESA-N 2 0 360.506 0.971 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862118 1211299075 /nfs/dbraw/zinc/29/90/75/1211299075.db2.gz BHBTZHQAVVKCAZ-FQEVSTJZSA-N 3 0 366.550 0.973 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878593 1211302927 /nfs/dbraw/zinc/30/29/27/1211302927.db2.gz LTHTVXUSLCHNDC-FRQCXROJSA-N 2 0 367.490 0.441 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881252 1211305277 /nfs/dbraw/zinc/30/52/77/1211305277.db2.gz YKVXRCDGTUPYCQ-QFBILLFUSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4[nH]cnc43)C2)OCC1=O ZINC001276201323 1211380242 /nfs/dbraw/zinc/38/02/42/1211380242.db2.gz HMNWPCHOGIKELP-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247536 1211391697 /nfs/dbraw/zinc/39/16/97/1211391697.db2.gz PQTSMAPXHBBIGI-SCLBCKFNSA-N 2 0 362.430 0.570 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCCc2nccn21 ZINC001095531866 1211398216 /nfs/dbraw/zinc/39/82/16/1211398216.db2.gz WENCLNCFZRMDLS-FXUDXRNXSA-N 2 0 355.446 0.774 20 0 FCADRP CC[C@@H](CCC(=O)OC)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269711 1211400224 /nfs/dbraw/zinc/40/02/24/1211400224.db2.gz OFUCCMPXVGDGOL-LPHOPBHVSA-N 2 0 369.506 0.831 20 0 FCADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)nc1 ZINC000925491712 1211501921 /nfs/dbraw/zinc/50/19/21/1211501921.db2.gz QWYXEKHHXVUODF-FKSLSLAPSA-N 3 0 356.518 0.965 20 0 FCADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000925568430 1211502276 /nfs/dbraw/zinc/50/22/76/1211502276.db2.gz ARKXKKQCQAGYKA-OALUTQOASA-N 2 0 360.502 0.989 20 0 FCADRP CN1CCn2nc(NC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)cc2C1 ZINC000926186801 1211520671 /nfs/dbraw/zinc/52/06/71/1211520671.db2.gz ABUJBCCISNXULT-IYBDPMFKSA-N 2 0 373.505 0.761 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000926292283 1211527190 /nfs/dbraw/zinc/52/71/90/1211527190.db2.gz YKOKDJDWUBBOHA-SFHVURJKSA-N 2 0 358.486 0.918 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926296463 1211527950 /nfs/dbraw/zinc/52/79/50/1211527950.db2.gz DZOBCQCHKKSVLE-GOSISDBHSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632162 1211576284 /nfs/dbraw/zinc/57/62/84/1211576284.db2.gz XEBJXVKKBZJCSU-ZBFHGGJFSA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927641370 1211579050 /nfs/dbraw/zinc/57/90/50/1211579050.db2.gz WWGAHXNWEQGXDT-QGZVFWFLSA-N 2 0 368.522 0.774 20 0 FCADRP COc1ccccc1[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1nnc(C)o1 ZINC001221336641 1225300587 /nfs/dbraw/zinc/30/05/87/1225300587.db2.gz MLRATVIJUOIRST-ACWOFJMJSA-N 2 0 371.441 0.791 20 0 FCADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001221369041 1225302511 /nfs/dbraw/zinc/30/25/11/1225302511.db2.gz HDLSTTWSBBFKRE-AWEZNQCLSA-N 2 0 364.494 0.728 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391809 1225305242 /nfs/dbraw/zinc/30/52/42/1225305242.db2.gz PEKKHHHGWQCSKF-BBRMVZONSA-N 2 0 363.506 0.433 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000929963877 1211676445 /nfs/dbraw/zinc/67/64/45/1211676445.db2.gz IRPSTAHAXLRZQN-QGZVFWFLSA-N 2 0 374.485 0.080 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994259 1211715896 /nfs/dbraw/zinc/71/58/96/1211715896.db2.gz VHZNGDWYOQFHJK-ZJPYXAASSA-N 2 0 368.522 0.447 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439575 1211756577 /nfs/dbraw/zinc/75/65/77/1211756577.db2.gz OZZIHEWIEIHBHD-IKGGRYGDSA-N 2 0 358.442 0.748 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](C/C=C/C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931480224 1211757646 /nfs/dbraw/zinc/75/76/46/1211757646.db2.gz POZNMILVWGDFOK-AATRIKPKSA-N 4 0 368.566 0.320 20 0 FCADRP O=C(CC[N@@H+]1CC[C@@H](C2OCCO2)C1)N1CCN(c2ccccn2)CC1 ZINC000932007049 1211792879 /nfs/dbraw/zinc/79/28/79/1211792879.db2.gz CCFXBCUUSVYPAZ-MRXNPFEDSA-N 2 0 360.458 0.815 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933848833 1211849109 /nfs/dbraw/zinc/84/91/09/1211849109.db2.gz RJANUONEEIEYHM-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1ccco1 ZINC001111169418 1211910440 /nfs/dbraw/zinc/91/04/40/1211910440.db2.gz SPCSACYMQRVMIR-OIISXLGYSA-N 2 0 362.474 0.959 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000947513092 1212038574 /nfs/dbraw/zinc/03/85/74/1212038574.db2.gz GHUMYDKQUOEDPB-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000947964375 1212105275 /nfs/dbraw/zinc/10/52/75/1212105275.db2.gz DPICHKSEZIDAKS-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC000968867893 1212159709 /nfs/dbraw/zinc/15/97/09/1212159709.db2.gz JJFDYIWHCYDJDO-ZACQAIPSSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC1CCC1 ZINC001111277107 1212203797 /nfs/dbraw/zinc/20/37/97/1212203797.db2.gz ATSWSGVZPJRRKJ-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[C@H](C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281527 1212233304 /nfs/dbraw/zinc/23/33/04/1212233304.db2.gz WKIGTTCUTNVUNI-HZMVEIRTSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000949007940 1212274375 /nfs/dbraw/zinc/27/43/75/1212274375.db2.gz HEAJHAAPKCSIKB-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000949210664 1212326064 /nfs/dbraw/zinc/32/60/64/1212326064.db2.gz IULDDGONXXJVFW-SZVBFZGTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949219365 1212329591 /nfs/dbraw/zinc/32/95/91/1212329591.db2.gz OVIKOSMERDKFIN-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561127 1225369142 /nfs/dbraw/zinc/36/91/42/1225369142.db2.gz ZUWHZCUZJZCQQG-VDHUWJSZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949864979 1212475530 /nfs/dbraw/zinc/47/55/30/1212475530.db2.gz OIMYEYHHKBTADI-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000949943676 1212489749 /nfs/dbraw/zinc/48/97/49/1212489749.db2.gz PHHUUNCJLMPRLA-DJIMGWMZSA-N 2 0 362.518 0.776 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2C)C1 ZINC001007483292 1212504157 /nfs/dbraw/zinc/50/41/57/1212504157.db2.gz FIEARPXFBKMBJA-KXBFYZLASA-N 2 0 370.457 0.963 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001111307629 1212530221 /nfs/dbraw/zinc/53/02/21/1212530221.db2.gz OCLYFJNUBGGBNL-XDNAFOTISA-N 2 0 371.522 0.464 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001006458056 1212585107 /nfs/dbraw/zinc/58/51/07/1212585107.db2.gz RDDBXZFNQLUTDA-BHYGNILZSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000950701039 1212633998 /nfs/dbraw/zinc/63/39/98/1212633998.db2.gz OHNISCFFGRDVDR-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616722 1225399930 /nfs/dbraw/zinc/39/99/30/1225399930.db2.gz RUVQLBFEIYLUCM-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620535 1225400742 /nfs/dbraw/zinc/40/07/42/1225400742.db2.gz JQCOVFLWARZKFA-BPQIPLTHSA-N 2 0 369.506 0.027 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000080977846 1212883723 /nfs/dbraw/zinc/88/37/23/1212883723.db2.gz BXMZFRSBPQBYJB-MRXNPFEDSA-N 2 0 373.501 0.787 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307797 1212956544 /nfs/dbraw/zinc/95/65/44/1212956544.db2.gz LXAAXDXQCDMDEN-PKOBYXMFSA-N 2 0 366.506 0.110 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307795 1212958762 /nfs/dbraw/zinc/95/87/62/1212958762.db2.gz LXAAXDXQCDMDEN-IEBWSBKVSA-N 2 0 366.506 0.110 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647296 1225417416 /nfs/dbraw/zinc/41/74/16/1225417416.db2.gz WSEUVCRBYSMZCN-KZNAEPCWSA-N 2 0 366.506 0.156 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120890 1213042497 /nfs/dbraw/zinc/04/24/97/1213042497.db2.gz YXGALNXUCBBXIA-HUUCEWRRSA-N 2 0 366.510 0.113 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000956038804 1213165769 /nfs/dbraw/zinc/16/57/69/1213165769.db2.gz XEASUADIKCJNHI-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788127 1213216191 /nfs/dbraw/zinc/21/61/91/1213216191.db2.gz ROALVTWNYXLWCP-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000956989845 1213227153 /nfs/dbraw/zinc/22/71/53/1213227153.db2.gz OEXIXGRBHYCBDZ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000957069334 1213243919 /nfs/dbraw/zinc/24/39/19/1213243919.db2.gz WOGJYIYECKHMIQ-CXAGYDPISA-N 2 0 366.425 0.887 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957088278 1213248882 /nfs/dbraw/zinc/24/88/82/1213248882.db2.gz YXETYNFEJBFHOL-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000957093938 1213251476 /nfs/dbraw/zinc/25/14/76/1213251476.db2.gz NUZVBQSWIZHDPU-GDBMZVCRSA-N 2 0 371.485 0.820 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)[NH+](C)C ZINC000960410362 1213745437 /nfs/dbraw/zinc/74/54/37/1213745437.db2.gz RNHTXTVXURLWLL-LZLYRXPVSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001011208275 1213848098 /nfs/dbraw/zinc/84/80/98/1213848098.db2.gz QOGSTBMHZHQZEU-NVXWUHKLSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000418936013 1213927167 /nfs/dbraw/zinc/92/71/67/1213927167.db2.gz BCYPJUGHVODLGB-UZLBHIALSA-N 2 0 358.486 0.978 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813464 1225489338 /nfs/dbraw/zinc/48/93/38/1225489338.db2.gz KFUXJJZDGJLLIH-KBAYOESNSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21)[NH+](C)C ZINC000960968105 1214042602 /nfs/dbraw/zinc/04/26/02/1214042602.db2.gz BECDQRNFKJRLLA-MWDXBVQZSA-N 2 0 368.522 0.351 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC001017489071 1214103267 /nfs/dbraw/zinc/10/32/67/1214103267.db2.gz ORSRYWBTTJMEBK-LZLYRXPVSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862642 1225510890 /nfs/dbraw/zinc/51/08/90/1225510890.db2.gz HULDDWKJIWVVFA-JFIYKMOQSA-N 2 0 363.506 0.752 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@@H+]1C ZINC000961598299 1214238674 /nfs/dbraw/zinc/23/86/74/1214238674.db2.gz FZXYLUUEOUISJE-IECFSIQFSA-N 2 0 362.518 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@@H+]1C ZINC000961666009 1214261293 /nfs/dbraw/zinc/26/12/93/1214261293.db2.gz BKFAFULPDYEVGR-MDMSPXHWSA-N 2 0 362.518 0.585 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1 ZINC000961665526 1214261672 /nfs/dbraw/zinc/26/16/72/1214261672.db2.gz WRTQGSWHMSUMQD-HSFUPAIVSA-N 2 0 362.518 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CC[NH+](CC(=O)N(C)C)C3)CC2)CC[N@@H+]1C ZINC001039134203 1214372749 /nfs/dbraw/zinc/37/27/49/1214372749.db2.gz XZBOCIIOMRRQKL-KBAYOESNSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039865042 1214449737 /nfs/dbraw/zinc/44/97/37/1214449737.db2.gz KJRTUHWPEQGHSI-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)N2CCC2)CC3)CC[N@@H+]1C ZINC001040706675 1214569399 /nfs/dbraw/zinc/56/93/99/1214569399.db2.gz YWVGTZGDXSQPCW-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221950675 1225550373 /nfs/dbraw/zinc/55/03/73/1225550373.db2.gz SKOGOWCILYZPGQ-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221968525 1225556569 /nfs/dbraw/zinc/55/65/69/1225556569.db2.gz RAMQADYHRQTHCQ-KZNAEPCWSA-N 2 0 363.506 0.509 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nnnn2C)C3)CC[N@@H+]1C ZINC000963823369 1214859029 /nfs/dbraw/zinc/85/90/29/1214859029.db2.gz HHAYTROOGKSOJP-YPFGQOJWSA-N 2 0 361.494 0.457 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000964214109 1214916135 /nfs/dbraw/zinc/91/61/35/1214916135.db2.gz SVTCGHGPQPPMKP-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000964214688 1214917201 /nfs/dbraw/zinc/91/72/01/1214917201.db2.gz XMHRMTUFFGSLKN-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964925227 1215005624 /nfs/dbraw/zinc/00/56/24/1215005624.db2.gz MGVLYGYGLWZTDL-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(CC(=O)NC3CCOCC3)C[C@H]21 ZINC001222050127 1225591224 /nfs/dbraw/zinc/59/12/24/1225591224.db2.gz TXGALSOOBRTKHR-NVXWUHKLSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001056106015 1215948511 /nfs/dbraw/zinc/94/85/11/1215948511.db2.gz RKYWTMGCUBIOOT-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+]([C@H]4CCCNC4=O)CC3)CC2)CC[N@@H+]1C ZINC001000162105 1216013897 /nfs/dbraw/zinc/01/38/97/1216013897.db2.gz UHQPMDJQWMEKBS-OIISXLGYSA-N 2 0 362.518 0.966 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841922 1225656192 /nfs/dbraw/zinc/65/61/92/1225656192.db2.gz GLUXUSYRGNHLQO-KBXCAEBGSA-N 2 0 361.446 0.632 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1)C1CC1 ZINC001222892926 1225663128 /nfs/dbraw/zinc/66/31/28/1225663128.db2.gz UREACRWFFOOBCL-FHLIZLRMSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057587203 1216362538 /nfs/dbraw/zinc/36/25/38/1216362538.db2.gz AEAHUNSEBIJPQU-BRWVUGGUSA-N 2 0 368.522 0.137 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976977 1225670925 /nfs/dbraw/zinc/67/09/25/1225670925.db2.gz ZYGRMUBCSQKWCK-NJAFHUGGSA-N 2 0 362.518 0.920 20 0 FCADRP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051625251 1216469290 /nfs/dbraw/zinc/46/92/90/1216469290.db2.gz XLFMZDPNCFCIGY-DJIMGWMZSA-N 2 0 362.474 0.747 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC001057739122 1216528922 /nfs/dbraw/zinc/52/89/22/1216528922.db2.gz MTYRRVAJTLRYLG-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1C ZINC001057745793 1216536198 /nfs/dbraw/zinc/53/61/98/1216536198.db2.gz AUKNFHLWNNCZAP-YESZJQIVSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001057746307 1216537354 /nfs/dbraw/zinc/53/73/54/1216537354.db2.gz RKTUWRJYNNEUTB-DLBZAZTESA-N 2 0 370.538 0.386 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1=O ZINC000827320073 1216586394 /nfs/dbraw/zinc/58/63/94/1216586394.db2.gz QQSSZOKDTIMXLN-BRSBDYLESA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057942574 1216606243 /nfs/dbraw/zinc/60/62/43/1216606243.db2.gz MANDMEYGIKKDJP-ZIAGYGMSSA-N 2 0 365.478 0.181 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827706339 1216643097 /nfs/dbraw/zinc/64/30/97/1216643097.db2.gz LMIUJXFLOJLZKT-YESZJQIVSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001058252282 1216657777 /nfs/dbraw/zinc/65/77/77/1216657777.db2.gz CPOCZTMERYDRSI-DLBZAZTESA-N 2 0 370.538 0.386 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCO2 ZINC001068401810 1216731301 /nfs/dbraw/zinc/73/13/01/1216731301.db2.gz SRJINIISNAITLD-HZPDHXFCSA-N 2 0 366.506 0.107 20 0 FCADRP CCOCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276873973 1225691389 /nfs/dbraw/zinc/69/13/89/1225691389.db2.gz AGCOGUXVJFSKPY-GOSISDBHSA-N 2 0 366.550 0.879 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945060 1216857738 /nfs/dbraw/zinc/85/77/38/1216857738.db2.gz DDIOYXXDFRTFNT-ZACQAIPSSA-N 2 0 366.485 0.957 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223378478 1225702531 /nfs/dbraw/zinc/70/25/31/1225702531.db2.gz KPRQOWYJIMRNRW-KURKYZTESA-N 2 0 363.506 0.509 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)[C@H]2C1 ZINC001223431016 1225705592 /nfs/dbraw/zinc/70/55/92/1225705592.db2.gz UCKAAZQCTMMLRI-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245998 1225767714 /nfs/dbraw/zinc/76/77/14/1225767714.db2.gz PNPZQVYBAQHHQF-SJORKVTESA-N 2 0 367.538 0.957 20 0 FCADRP O=C(CN1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21)NCC1CCC1 ZINC001224297762 1225771255 /nfs/dbraw/zinc/77/12/55/1225771255.db2.gz DJTXBPDSDQZSCW-SJORKVTESA-N 2 0 359.474 0.722 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276973547 1225780830 /nfs/dbraw/zinc/78/08/30/1225780830.db2.gz DVYGFXQDIVIBLY-AZUAARDMSA-N 2 0 366.550 0.709 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)[C@@H]2c1ccccc1 ZINC001276982015 1225785004 /nfs/dbraw/zinc/78/50/04/1225785004.db2.gz JPVUBXCGELFNPB-GOSISDBHSA-N 2 0 358.486 0.960 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1cnc(C(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000900695921 1218025836 /nfs/dbraw/zinc/02/58/36/1218025836.db2.gz SXWNVUQBZAOTIA-ZIAGYGMSSA-N 2 0 360.462 0.125 20 0 FCADRP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277012343 1225799461 /nfs/dbraw/zinc/79/94/61/1225799461.db2.gz UYMDUPPPYUCPJE-IBGZPJMESA-N 2 0 360.458 0.998 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001048529888 1218281876 /nfs/dbraw/zinc/28/18/76/1218281876.db2.gz WHCYJRWKASTXLK-YPLQCARHSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048824912 1218321647 /nfs/dbraw/zinc/32/16/47/1218321647.db2.gz JUVRSDVJIZLFNK-FTWQHDNSSA-N 2 0 365.518 0.504 20 0 FCADRP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827708 1218322912 /nfs/dbraw/zinc/32/29/12/1218322912.db2.gz CKAYTUNRMLFFRY-UYTYNIKBSA-N 2 0 362.518 0.726 20 0 FCADRP O=C1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1CCN1CCOCC1 ZINC000903122549 1218365952 /nfs/dbraw/zinc/36/59/52/1218365952.db2.gz ZVESHSNIPULISC-PUERQQPESA-N 2 0 362.518 0.667 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075264 1218378873 /nfs/dbraw/zinc/37/88/73/1218378873.db2.gz NGSDFXCRISMZJR-NLNMYJFZSA-N 2 0 370.497 0.596 20 0 FCADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733529 1218510309 /nfs/dbraw/zinc/51/03/09/1218510309.db2.gz NFISMQHLRMBULU-KDOFPFPSSA-N 2 0 357.462 0.254 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000903741742 1218511752 /nfs/dbraw/zinc/51/17/52/1218511752.db2.gz SIAIXYATZJTMGY-KSZLIROESA-N 3 0 364.534 0.725 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739988 1218512593 /nfs/dbraw/zinc/51/25/93/1218512593.db2.gz RCCJKFWFOKMCQX-UYAOXDASSA-N 2 0 364.534 0.631 20 0 FCADRP C[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756285 1218517031 /nfs/dbraw/zinc/51/70/31/1218517031.db2.gz PTIZHXSUVUHZRW-JKSUJKDBSA-N 2 0 371.489 0.794 20 0 FCADRP NC(=O)c1cc(F)ccc1N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769626 1218521319 /nfs/dbraw/zinc/52/13/19/1218521319.db2.gz KTPLESGANJJFMB-BEFAXECRSA-N 2 0 362.449 0.815 20 0 FCADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)cnn1C ZINC000903935089 1218567779 /nfs/dbraw/zinc/56/77/79/1218567779.db2.gz MKKKGDFHKJZKCV-OAHLLOKOSA-N 2 0 355.486 0.932 20 0 FCADRP O=C(NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001226297629 1225839462 /nfs/dbraw/zinc/83/94/62/1225839462.db2.gz WTERRGKPGOYVCS-KZNAEPCWSA-N 2 0 362.518 0.871 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC1CC1 ZINC001226297674 1225839560 /nfs/dbraw/zinc/83/95/60/1225839560.db2.gz XPSPCRHACKPETG-KZNAEPCWSA-N 2 0 362.518 0.871 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)n1 ZINC001226316432 1225839803 /nfs/dbraw/zinc/83/98/03/1225839803.db2.gz PLMTXWISJYJEBJ-HZPDHXFCSA-N 2 0 367.494 0.084 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)n1 ZINC001097854065 1218852770 /nfs/dbraw/zinc/85/27/70/1218852770.db2.gz UHEKSGYBHXFJLL-PILAGYSTSA-N 2 0 360.506 0.958 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001226801394 1225854756 /nfs/dbraw/zinc/85/47/56/1225854756.db2.gz WIACTUYRLAHIBF-RKVPGOIHSA-N 2 0 364.490 0.493 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)C1CCC1 ZINC001226830551 1225855201 /nfs/dbraw/zinc/85/52/01/1225855201.db2.gz IVXPEIAYWOJSDX-HUUCEWRRSA-N 2 0 365.478 0.040 20 0 FCADRP COc1ncc(F)cc1CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277166391 1225857984 /nfs/dbraw/zinc/85/79/84/1225857984.db2.gz UWKVXRZBVSWSKZ-SFHVURJKSA-N 2 0 366.437 0.594 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1)[NH+](C)C ZINC001227056211 1225862365 /nfs/dbraw/zinc/86/23/65/1225862365.db2.gz BFEGWDHHGQRBII-RBSFLKMASA-N 2 0 362.478 0.772 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028584 1225861269 /nfs/dbraw/zinc/86/12/69/1225861269.db2.gz ITCDRHJYPOBKPU-ZIAGYGMSSA-N 2 0 365.478 0.074 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357551 1219033123 /nfs/dbraw/zinc/03/31/23/1219033123.db2.gz SJBYBVLHFODDHE-WCXIOVBPSA-N 2 0 364.534 0.974 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001227165326 1225865341 /nfs/dbraw/zinc/86/53/41/1225865341.db2.gz LUSPLTXIJBJIIW-HZPDHXFCSA-N 2 0 368.522 0.593 20 0 FCADRP Cn1ncc2c1ncnc2N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055510558 1219062870 /nfs/dbraw/zinc/06/28/70/1219062870.db2.gz ZFECEWIIBQNCDC-OHNRDTAOSA-N 2 0 369.473 0.933 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227091090 1225863335 /nfs/dbraw/zinc/86/33/35/1225863335.db2.gz KXHJMPOCPDNGIC-KFWWJZLASA-N 2 0 367.494 0.333 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055577818 1219085565 /nfs/dbraw/zinc/08/55/65/1219085565.db2.gz BNJIQTDTCBYYNX-RYQLBKOJSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ncc[nH]3)CC2)CC[N@@H+]1C ZINC001055583452 1219087596 /nfs/dbraw/zinc/08/75/96/1219087596.db2.gz OHVGUNFGVGJEJY-UKRRQHHQSA-N 2 0 362.478 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cc[nH]c3)CC2)CC[N@@H+]1C ZINC001055589972 1219091128 /nfs/dbraw/zinc/09/11/28/1219091128.db2.gz WXWCNERNSNLNQO-RHSMWYFYSA-N 2 0 361.490 0.665 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)COCC[NH+](C)C)CC1 ZINC001055602034 1219096321 /nfs/dbraw/zinc/09/63/21/1219096321.db2.gz MWGXQFBXPPGNDF-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000804063081 1219118276 /nfs/dbraw/zinc/11/82/76/1219118276.db2.gz PBMAENNTNJHEJX-YESZJQIVSA-N 2 0 364.490 0.099 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001227275306 1225869256 /nfs/dbraw/zinc/86/92/56/1225869256.db2.gz AOOLIRZOUJAWHN-MGPQQGTHSA-N 2 0 365.478 0.215 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070158639 1219246458 /nfs/dbraw/zinc/24/64/58/1219246458.db2.gz TWOHHHWERVDQLE-KFWWJZLASA-N 2 0 368.432 0.759 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158659 1219246579 /nfs/dbraw/zinc/24/65/79/1219246579.db2.gz UMKKCKWIUMXWHW-KURKYZTESA-N 2 0 354.458 0.914 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070196067 1219287116 /nfs/dbraw/zinc/28/71/16/1219287116.db2.gz IYEFYLXXNKUVMJ-KURKYZTESA-N 2 0 358.490 0.762 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070195011 1219287284 /nfs/dbraw/zinc/28/72/84/1219287284.db2.gz ZTOLQYKVFCBRKB-OAGGEKHMSA-N 2 0 364.494 0.265 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001070354772 1219392424 /nfs/dbraw/zinc/39/24/24/1219392424.db2.gz VAVDXPRUCIAMHH-KKUMJFAQSA-N 2 0 364.494 0.777 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382548 1219407306 /nfs/dbraw/zinc/40/73/06/1219407306.db2.gz FJSPABDYHDDXIC-JZXOWHBKSA-N 2 0 366.506 0.060 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070475279 1219426317 /nfs/dbraw/zinc/42/63/17/1219426317.db2.gz LQLZPWNNJGCJKB-UHOSZYNNSA-N 2 0 368.485 0.994 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cn(C)cn1 ZINC001070513270 1219447752 /nfs/dbraw/zinc/44/77/52/1219447752.db2.gz DSCGNVHPLWLZCK-QANKJYHBSA-N 2 0 368.441 0.646 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2c2cncn2C)cn1 ZINC001070629156 1219493485 /nfs/dbraw/zinc/49/34/85/1219493485.db2.gz BKVALLQWXMTTRS-ZACQAIPSSA-N 2 0 371.489 0.332 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCO ZINC001070659323 1219512311 /nfs/dbraw/zinc/51/23/11/1219512311.db2.gz GZTKTWXYMVERDE-HZPDHXFCSA-N 2 0 361.490 0.172 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cncn1C ZINC001070668542 1219516516 /nfs/dbraw/zinc/51/65/16/1219516516.db2.gz ZYTPWFLWSJHNMK-KBRIMQKVSA-N 2 0 368.441 0.646 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688678 1219526439 /nfs/dbraw/zinc/52/64/39/1219526439.db2.gz RRSFFXVHBHYNMS-BZUAXINKSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070718176 1219540923 /nfs/dbraw/zinc/54/09/23/1219540923.db2.gz QQOIYLLCABLYNT-GVDBMIGSSA-N 2 0 371.489 0.153 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2cncn2C)cn1 ZINC001070719157 1219541736 /nfs/dbraw/zinc/54/17/36/1219541736.db2.gz URLCJZGXZCSWIL-IAGOWNOFSA-N 2 0 371.489 0.334 20 0 FCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001228265828 1225906074 /nfs/dbraw/zinc/90/60/74/1225906074.db2.gz ZKEKCBODABZJMB-ZACQAIPSSA-N 2 0 368.522 0.584 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCN(C)C2=O)C3)CC[N@@H+]1C ZINC001072755153 1219621382 /nfs/dbraw/zinc/62/13/82/1219621382.db2.gz WMQOQDKHYUMRSR-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001228254559 1225904218 /nfs/dbraw/zinc/90/42/18/1225904218.db2.gz AONZTEPXOIVXKI-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228335441 1225911471 /nfs/dbraw/zinc/91/14/71/1225911471.db2.gz ZUZBZBMFFHYUGV-HUUCEWRRSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001074895730 1219729790 /nfs/dbraw/zinc/72/97/90/1219729790.db2.gz KTXUTRJLHNFDMP-YJNKXOJESA-N 2 0 360.462 0.128 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001098225193 1219744292 /nfs/dbraw/zinc/74/42/92/1219744292.db2.gz YLDVZQNYMISGNT-TWMKSMIVSA-N 2 0 359.474 0.061 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)CC[N@@H+]1C ZINC001098845198 1219839657 /nfs/dbraw/zinc/83/96/57/1219839657.db2.gz RCGVAXHUNOPFOH-YZLZLFLDSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)c1ccc2c[nH+]cn2c1 ZINC001098944148 1219870853 /nfs/dbraw/zinc/87/08/53/1219870853.db2.gz BLSSEOMMBSKHRP-QOKNQOGYSA-N 2 0 353.426 0.807 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)c1ccc2c[nH+]cn2c1 ZINC001098944147 1219870984 /nfs/dbraw/zinc/87/09/84/1219870984.db2.gz BLSSEOMMBSKHRP-GMBSWORKSA-N 2 0 353.426 0.807 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)CC1 ZINC001099009507 1219887418 /nfs/dbraw/zinc/88/74/18/1219887418.db2.gz BPXXNPAMXPZCJF-LPHOPBHVSA-N 2 0 363.506 0.324 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)CC1 ZINC001099009100 1219887851 /nfs/dbraw/zinc/88/78/51/1219887851.db2.gz RDZWBHAQIGHPMK-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099029663 1219892208 /nfs/dbraw/zinc/89/22/08/1219892208.db2.gz HYOPRXIQNQWREX-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001099101192 1219912984 /nfs/dbraw/zinc/91/29/84/1219912984.db2.gz MTLIBYXARIRKFS-QKLQHJQFSA-N 2 0 362.518 0.966 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159531 1219934948 /nfs/dbraw/zinc/93/49/48/1219934948.db2.gz HNLYCMUUFSNOPT-DOXZYTNZSA-N 2 0 362.474 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001099436377 1219995543 /nfs/dbraw/zinc/99/55/43/1219995543.db2.gz OBUIHMDHAUZXCI-FSZRXZPDSA-N 2 0 361.494 0.269 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228594558 1225935074 /nfs/dbraw/zinc/93/50/74/1225935074.db2.gz MWSZCHTYBVRAHY-KBAYOESNSA-N 2 0 368.522 0.640 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001099496154 1220014312 /nfs/dbraw/zinc/01/43/12/1220014312.db2.gz DFCRIIRQIFQOHA-YRNRMSPPSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncnn3C)C2)C1 ZINC001099500557 1220017079 /nfs/dbraw/zinc/01/70/79/1220017079.db2.gz VVCGTGILSXFHSG-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001099525799 1220023293 /nfs/dbraw/zinc/02/32/93/1220023293.db2.gz YLEYPQILYCLJMF-KXBFYZLASA-N 2 0 358.490 0.629 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278421 1220264505 /nfs/dbraw/zinc/26/45/05/1220264505.db2.gz IKYWKAFPNUNMRR-AOIWGVFYSA-N 2 0 365.518 0.650 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291602 1220272346 /nfs/dbraw/zinc/27/23/46/1220272346.db2.gz TYVZAFXOUQHKPR-AYBZRNKSSA-N 2 0 358.442 0.736 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299287 1220275629 /nfs/dbraw/zinc/27/56/29/1220275629.db2.gz QFXHFGKTJWGXAA-SUMDDJOVSA-N 2 0 358.442 0.736 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CCCC1 ZINC001101314224 1220283092 /nfs/dbraw/zinc/28/30/92/1220283092.db2.gz WLXXBJILSBAYCI-GJYPPUQNSA-N 2 0 362.518 0.920 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342706 1220295242 /nfs/dbraw/zinc/29/52/42/1220295242.db2.gz JDUAKQPGJOUVOZ-GJYPPUQNSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101350010 1220297089 /nfs/dbraw/zinc/29/70/89/1220297089.db2.gz QLPGNKOWHLSGNZ-XLIONFOSSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101362735 1220301671 /nfs/dbraw/zinc/30/16/71/1220301671.db2.gz BIBYDSYXQHNNDI-LBTNJELSSA-N 2 0 367.494 0.082 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418338 1220332549 /nfs/dbraw/zinc/33/25/49/1220332549.db2.gz MPDILFZEJHPQMC-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432401 1220341342 /nfs/dbraw/zinc/34/13/42/1220341342.db2.gz QDHVTYJRSRVMCI-APWZRJJASA-N 2 0 368.522 0.213 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432290 1220341898 /nfs/dbraw/zinc/34/18/98/1220341898.db2.gz KQDJTNNJBAZYCE-MDZRGWNJSA-N 2 0 368.522 0.389 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436669 1220344310 /nfs/dbraw/zinc/34/43/10/1220344310.db2.gz CFYPRLCXMHYCRU-IYOUNJFTSA-N 2 0 367.494 0.082 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001101474424 1220366768 /nfs/dbraw/zinc/36/67/68/1220366768.db2.gz YLWPUKXKVVIEEE-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478653 1220368473 /nfs/dbraw/zinc/36/84/73/1220368473.db2.gz YTGIDVMLRYKUKI-LMMKCTJWSA-N 2 0 371.522 0.131 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047529 1220476794 /nfs/dbraw/zinc/47/67/94/1220476794.db2.gz KJYFSHPPEBTBSL-LSBZLQRGSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051804 1220479506 /nfs/dbraw/zinc/47/95/06/1220479506.db2.gz NTGCQXFBOYZFFI-JFIYKMOQSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108662 1220499422 /nfs/dbraw/zinc/49/94/22/1220499422.db2.gz WQPINNXFWPELEK-BFYDXBDKSA-N 2 0 359.474 0.481 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290723 1220576411 /nfs/dbraw/zinc/57/64/11/1220576411.db2.gz SJHWTOSDRLYMSG-HUUCEWRRSA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320812 1220583602 /nfs/dbraw/zinc/58/36/02/1220583602.db2.gz UPQNJTIHWWUHMV-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370112 1220595492 /nfs/dbraw/zinc/59/54/92/1220595492.db2.gz RHHZKBWXRGEESF-LZLYRXPVSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102368525 1220596783 /nfs/dbraw/zinc/59/67/83/1220596783.db2.gz YCQIFWMEXKQHJG-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369704 1220597027 /nfs/dbraw/zinc/59/70/27/1220597027.db2.gz DGONYDJIXWVDQB-GVDBMIGSSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H](COCC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102385037 1220604230 /nfs/dbraw/zinc/60/42/30/1220604230.db2.gz OXARIKRMDPRGSK-FGTMMUONSA-N 2 0 371.522 0.180 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473577 1220643486 /nfs/dbraw/zinc/64/34/86/1220643486.db2.gz GTHNNVOUEQZNLH-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514398 1220673650 /nfs/dbraw/zinc/67/36/50/1220673650.db2.gz WCPIHGIKIZPSEU-KURKYZTESA-N 2 0 367.534 0.800 20 0 FCADRP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514101 1220674000 /nfs/dbraw/zinc/67/40/00/1220674000.db2.gz MTYHTMXUFYHEOH-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521116 1220678405 /nfs/dbraw/zinc/67/84/05/1220678405.db2.gz QVASRHTYSKLOEF-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001102580547 1220703943 /nfs/dbraw/zinc/70/39/43/1220703943.db2.gz BQPQWQPJDZVINE-KZNAEPCWSA-N 2 0 363.506 0.536 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102600994 1220723803 /nfs/dbraw/zinc/72/38/03/1220723803.db2.gz GHDGUPLFWGDXFV-BRWVUGGUSA-N 2 0 368.522 0.163 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994376 1220817486 /nfs/dbraw/zinc/81/74/86/1220817486.db2.gz ZJPHRIYRPXYKEZ-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083625 1220830100 /nfs/dbraw/zinc/83/01/00/1220830100.db2.gz AMGHISKBXQKJNN-ZIAGYGMSSA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001103085352 1220831016 /nfs/dbraw/zinc/83/10/16/1220831016.db2.gz RILNDQBUVFUYKC-INMHGKMJSA-N 2 0 366.506 0.189 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001103426899 1220880557 /nfs/dbraw/zinc/88/05/57/1220880557.db2.gz SDCPTLGPFJYLCX-RBSFLKMASA-N 2 0 369.510 0.376 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436130 1220882543 /nfs/dbraw/zinc/88/25/43/1220882543.db2.gz LMBNLYLZYYBRMQ-RRFJBIMHSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103643852 1220925696 /nfs/dbraw/zinc/92/56/96/1220925696.db2.gz SXRDRBCYFQDONP-BPQIPLTHSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642161 1220926436 /nfs/dbraw/zinc/92/64/36/1220926436.db2.gz SLKDNSYJFGPWMK-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642129 1220926697 /nfs/dbraw/zinc/92/66/97/1220926697.db2.gz RLQIXJLWNQTQKM-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103648141 1220926905 /nfs/dbraw/zinc/92/69/05/1220926905.db2.gz WEAUINQYVWQXLK-HUUCEWRRSA-N 2 0 361.490 0.924 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724633 1220953770 /nfs/dbraw/zinc/95/37/70/1220953770.db2.gz MZXGEBREFIGPRX-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103724920 1220954852 /nfs/dbraw/zinc/95/48/52/1220954852.db2.gz ZJPUNQWGBCBWLS-IXDOHACOSA-N 2 0 368.522 0.117 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104185977 1221018208 /nfs/dbraw/zinc/01/82/08/1221018208.db2.gz SCOPUJHOMCMJSX-KFWWJZLASA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104202972 1221020956 /nfs/dbraw/zinc/02/09/56/1221020956.db2.gz YKZCBTFMXZLVSP-OIISXLGYSA-N 2 0 360.506 0.731 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)Cc1ccccc1)C2 ZINC001111499510 1221024468 /nfs/dbraw/zinc/02/44/68/1221024468.db2.gz KLINERNLBKBZSN-HCXYKTFWSA-N 2 0 361.486 0.847 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)CC1 ZINC001111853041 1221137086 /nfs/dbraw/zinc/13/70/86/1221137086.db2.gz DSZUBFRSPJPYRZ-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857937 1221138643 /nfs/dbraw/zinc/13/86/43/1221138643.db2.gz GGYFPJDULWWNFE-GLJUWKHASA-N 2 0 367.494 0.143 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2)[NH+](C)C ZINC001111874975 1221146447 /nfs/dbraw/zinc/14/64/47/1221146447.db2.gz KFLPYQDBUSHPEF-BXWFABGCSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001112285085 1221230636 /nfs/dbraw/zinc/23/06/36/1221230636.db2.gz LJHDQKYARNXKLB-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001112358512 1221245204 /nfs/dbraw/zinc/24/52/04/1221245204.db2.gz CGMYPPRIWSNGBD-LPHOPBHVSA-N 2 0 363.506 0.923 20 0 FCADRP O=C1N[C@H]2CC[NH+](CCCC[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799180877 1221304986 /nfs/dbraw/zinc/30/49/86/1221304986.db2.gz KCDNHDWVFFDPRD-WCVJEAGWSA-N 2 0 366.462 0.627 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC001116488363 1221366463 /nfs/dbraw/zinc/36/64/63/1221366463.db2.gz QKWVPEDPSUCXBN-UHFFFAOYSA-N 2 0 374.489 0.857 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001116952288 1221407662 /nfs/dbraw/zinc/40/76/62/1221407662.db2.gz IPIIQJWUYJHFJL-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230149932 1226059481 /nfs/dbraw/zinc/05/94/81/1226059481.db2.gz URKHFMWLPPBJKZ-GVDBMIGSSA-N 2 0 368.522 0.640 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001230138849 1226057295 /nfs/dbraw/zinc/05/72/95/1226057295.db2.gz TXUIVUCKVZIKKD-RBSFLKMASA-N 2 0 360.462 0.384 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001230149390 1226058450 /nfs/dbraw/zinc/05/84/50/1226058450.db2.gz HQAOJPCUJRWTNH-CGTJXYLNSA-N 2 0 363.506 0.905 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001118035203 1221693060 /nfs/dbraw/zinc/69/30/60/1221693060.db2.gz PKKSNECUNJONSA-XWTMOSNGSA-N 2 0 358.486 0.929 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118218444 1221736003 /nfs/dbraw/zinc/73/60/03/1221736003.db2.gz GWRIQWGZQXNVPU-MRXNPFEDSA-N 2 0 362.478 0.576 20 0 FCADRP COc1ccc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC001118447077 1221781251 /nfs/dbraw/zinc/78/12/51/1221781251.db2.gz QSRNJEYWEMLCKH-UHFFFAOYSA-N 2 0 365.478 0.000 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001118606430 1221807322 /nfs/dbraw/zinc/80/73/22/1221807322.db2.gz ONXNBLHJXFQBMN-IAGOWNOFSA-N 2 0 371.485 0.578 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC001119343632 1221901904 /nfs/dbraw/zinc/90/19/04/1221901904.db2.gz KOZVDWRTPSCYPW-UXLLHSPISA-N 2 0 360.458 0.377 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCCC1 ZINC001119344352 1221902232 /nfs/dbraw/zinc/90/22/32/1221902232.db2.gz XETBBTCWVMMETM-ZOBUZTSGSA-N 2 0 372.469 0.521 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC001119353907 1221904610 /nfs/dbraw/zinc/90/46/10/1221904610.db2.gz UWMACYXFCLCNKU-ULQDDVLXSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC001119417884 1221914767 /nfs/dbraw/zinc/91/47/67/1221914767.db2.gz VVNXRBCISMXJEV-BZSNNMDCSA-N 2 0 360.502 0.909 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119424866 1221916048 /nfs/dbraw/zinc/91/60/48/1221916048.db2.gz LHAUXQYGUDJFNP-ROUUACIJSA-N 2 0 369.554 0.798 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC001119724959 1221957147 /nfs/dbraw/zinc/95/71/47/1221957147.db2.gz DNEHFADIPMFBEZ-WBVHZDCISA-N 2 0 363.510 0.847 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001120395502 1222077081 /nfs/dbraw/zinc/07/70/81/1222077081.db2.gz XIOQERCPFJVQCM-CVEARBPZSA-N 2 0 359.474 0.529 20 0 FCADRP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001120584902 1222106653 /nfs/dbraw/zinc/10/66/53/1222106653.db2.gz BWQZYLLAZSXYMR-VZHLBOQGSA-N 2 0 372.469 0.703 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001120626535 1222110119 /nfs/dbraw/zinc/11/01/19/1222110119.db2.gz RJGQAWJXMUIJCA-VQIMIIECSA-N 2 0 359.474 0.447 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N(C)C2CC2)C3)CC[N@@H+]1C ZINC001121133544 1222150538 /nfs/dbraw/zinc/15/05/38/1222150538.db2.gz BYGOWPPDILREFL-VUFFAHCWSA-N 2 0 362.518 0.964 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC001121181218 1222152700 /nfs/dbraw/zinc/15/27/00/1222152700.db2.gz IFVIJVCZSGXHKI-INIZCTEOSA-N 2 0 359.474 0.587 20 0 FCADRP CCN1CCC([N@@H+]2CCCN(c3nnc(-c4nc[nH]n4)n3C)CC2)CC1 ZINC001121296267 1222161183 /nfs/dbraw/zinc/16/11/83/1222161183.db2.gz GYWGAKLKWBYCSB-UHFFFAOYSA-N 2 0 359.482 0.597 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC001121898175 1222220727 /nfs/dbraw/zinc/22/07/27/1222220727.db2.gz YDBDJFXSWQGASM-SJLPKXTDSA-N 2 0 364.490 0.904 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C3=NO[C@@]4(C3)CCC[NH2+]C4)CC2)c1 ZINC001121920675 1222223146 /nfs/dbraw/zinc/22/31/46/1222223146.db2.gz KCUJGXFAXKQNHJ-GOSISDBHSA-N 2 0 359.430 0.637 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001121935796 1222226380 /nfs/dbraw/zinc/22/63/80/1222226380.db2.gz CWEMTOGKYNADHH-IAQYHMDHSA-N 2 0 373.375 0.727 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069793 1222238785 /nfs/dbraw/zinc/23/87/85/1222238785.db2.gz GALDXTLWWGNOPR-IXDOHACOSA-N 2 0 363.506 0.606 20 0 FCADRP C[NH2+][C@H](C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1cnn(C)c1 ZINC001122128924 1222242536 /nfs/dbraw/zinc/24/25/36/1222242536.db2.gz SYXGJQLOYRHAMM-HNNXBMFYSA-N 2 0 362.478 0.013 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123506143 1222336309 /nfs/dbraw/zinc/33/63/09/1222336309.db2.gz VPEMAXGVQVMBHA-SZMVWBNQSA-N 2 0 367.538 0.563 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123506142 1222336657 /nfs/dbraw/zinc/33/66/57/1222336657.db2.gz VPEMAXGVQVMBHA-RYQLBKOJSA-N 2 0 367.538 0.563 20 0 FCADRP COC(=O)COc1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001139777633 1222558256 /nfs/dbraw/zinc/55/82/56/1222558256.db2.gz SXSCXNMJPMDLSS-UHFFFAOYSA-N 2 0 363.458 0.834 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@@H+](C2CC2)C1 ZINC000841136753 1222809084 /nfs/dbraw/zinc/80/90/84/1222809084.db2.gz ZULVZUJREGSZLU-CQSZACIVSA-N 2 0 360.458 0.905 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000841142937 1222809627 /nfs/dbraw/zinc/80/96/27/1222809627.db2.gz UUXWGEFXJJPSFT-UHFFFAOYSA-N 2 0 359.474 0.717 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1)C1CC[NH+](C)CC1 ZINC000841151081 1222810081 /nfs/dbraw/zinc/81/00/81/1222810081.db2.gz SZKHDULDDNTCFZ-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000841208048 1222813764 /nfs/dbraw/zinc/81/37/64/1222813764.db2.gz KDDRLSBJNJVLIO-HUUCEWRRSA-N 2 0 359.474 0.586 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000841264059 1222816693 /nfs/dbraw/zinc/81/66/93/1222816693.db2.gz BFJWQWIYNWTEID-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847286 1222830332 /nfs/dbraw/zinc/83/03/32/1222830332.db2.gz KFCQTQWRBMDNDJ-MRXNPFEDSA-N 2 0 374.441 0.402 20 0 FCADRP C[C@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841897319 1222830863 /nfs/dbraw/zinc/83/08/63/1222830863.db2.gz XAXGHXWRJLOIOB-HXUWFJFHSA-N 2 0 373.501 0.630 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842089105 1222835397 /nfs/dbraw/zinc/83/53/97/1222835397.db2.gz XPQCFFXZFVPARY-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000842203285 1222841649 /nfs/dbraw/zinc/84/16/49/1222841649.db2.gz QHHNESNMHLZYRA-JCYILVPMSA-N 2 0 365.522 0.001 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843208954 1222860856 /nfs/dbraw/zinc/86/08/56/1222860856.db2.gz WRXVVDKJXBJQBR-OAHLLOKOSA-N 2 0 358.446 0.804 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C[C@@H]1C ZINC000843243591 1222861986 /nfs/dbraw/zinc/86/19/86/1222861986.db2.gz FWUSTDOVGMATHR-CALCHBBNSA-N 2 0 370.538 0.600 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001143307100 1222876982 /nfs/dbraw/zinc/87/69/82/1222876982.db2.gz QEWWGDIMEJVCKM-UHFFFAOYSA-N 2 0 363.462 0.193 20 0 FCADRP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001277697489 1226161074 /nfs/dbraw/zinc/16/10/74/1226161074.db2.gz CMGIGQGUVDGEHV-LJQANCHMSA-N 2 0 362.474 0.764 20 0 FCADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001152645926 1222954053 /nfs/dbraw/zinc/95/40/53/1222954053.db2.gz SYACAGCVSSVKQK-UXHICEINSA-N 2 0 361.486 0.539 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@H]1C2 ZINC001154632866 1223013839 /nfs/dbraw/zinc/01/38/39/1223013839.db2.gz NXSOANNJIYEXEL-ASKKUZCQSA-N 2 0 371.485 0.779 20 0 FCADRP c1ncn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1C1CC[NH2+]CC1 ZINC001155063921 1223022772 /nfs/dbraw/zinc/02/27/72/1223022772.db2.gz KDAWLTJJPDGYSF-UHFFFAOYSA-N 2 0 355.446 0.569 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001155227401 1223030288 /nfs/dbraw/zinc/03/02/88/1223030288.db2.gz MEBPSVAAHZUMOE-OAHLLOKOSA-N 2 0 364.494 0.772 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC12CCOCC2)C(=O)N1CCCC1 ZINC001157370704 1223075160 /nfs/dbraw/zinc/07/51/60/1223075160.db2.gz GIVNPPBRFQYTTD-CVEARBPZSA-N 2 0 366.506 0.239 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CC[C@]2(C1)C[NH2+]CCO2)C(=O)N1CCCC1 ZINC001157371227 1223075466 /nfs/dbraw/zinc/07/54/66/1223075466.db2.gz QCBBRKKSILFFEV-BXWFABGCSA-N 2 0 366.506 0.381 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)N1CCCC1 ZINC001157371232 1223075595 /nfs/dbraw/zinc/07/55/95/1223075595.db2.gz QGMIIYWIDGTBGY-CVEARBPZSA-N 3 0 365.522 0.097 20 0 FCADRP Cc1ccc([C@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720580 1223081247 /nfs/dbraw/zinc/08/12/47/1223081247.db2.gz MCCARHSXGRMXLQ-RTBURBONSA-N 2 0 360.502 0.778 20 0 FCADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001157847183 1223082912 /nfs/dbraw/zinc/08/29/12/1223082912.db2.gz KPSQXLOZWSLNTK-XJKCOSOUSA-N 2 0 358.446 0.590 20 0 FCADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001157847181 1223082973 /nfs/dbraw/zinc/08/29/73/1223082973.db2.gz KPSQXLOZWSLNTK-WWGRRREGSA-N 2 0 358.446 0.590 20 0 FCADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157850237 1223083009 /nfs/dbraw/zinc/08/30/09/1223083009.db2.gz XJUJMPGCLMTWRR-VGWMRTNUSA-N 2 0 368.522 0.706 20 0 FCADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970334 1223085227 /nfs/dbraw/zinc/08/52/27/1223085227.db2.gz BMOXMZRGTFQFNU-QGZVFWFLSA-N 2 0 352.442 0.673 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970211 1223085292 /nfs/dbraw/zinc/08/52/92/1223085292.db2.gz QPDGBGUXORMACH-RBUKOAKNSA-N 2 0 366.465 0.846 20 0 FCADRP O=C([C@H]1CC2(CC[NH2+]CC2)c2ccccc21)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091911 1223088344 /nfs/dbraw/zinc/08/83/44/1223088344.db2.gz KAWCNSGKCHMNPO-HRAATJIYSA-N 2 0 368.481 0.486 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092705 1223088673 /nfs/dbraw/zinc/08/86/73/1223088673.db2.gz PDEMUBNBKDZHEA-QKLQHJQFSA-N 2 0 372.469 0.014 20 0 FCADRP Cc1cccc(C[C@]2(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)CCC[NH2+]2)c1 ZINC001158101660 1223089101 /nfs/dbraw/zinc/08/91/01/1223089101.db2.gz LBLDVPHKQMMZQD-PMACEKPBSA-N 2 0 356.470 0.350 20 0 FCADRP O=C([C@@H]1CCC[C@H](c2ccccc2)[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118619 1223089335 /nfs/dbraw/zinc/08/93/35/1223089335.db2.gz BYIIQHXGUVIUDN-WWMYMODYSA-N 2 0 368.481 0.808 20 0 FCADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120957 1223089599 /nfs/dbraw/zinc/08/95/99/1223089599.db2.gz QESOVRNHLHKMLQ-JXFKEZNVSA-N 2 0 356.470 0.275 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167872 1223090033 /nfs/dbraw/zinc/09/00/33/1223090033.db2.gz MQQKDWLQCOFEAZ-CEXWTWQISA-N 2 0 358.486 0.297 20 0 FCADRP Cc1cnc(C[NH3+])n1-c1cc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001158162681 1223090342 /nfs/dbraw/zinc/09/03/42/1223090342.db2.gz BJKKNCFLKZLNQL-UHFFFAOYSA-N 2 0 359.434 0.103 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168318 1223090373 /nfs/dbraw/zinc/09/03/73/1223090373.db2.gz UELKMLWFWZMOLK-FCGDIQPGSA-N 2 0 359.470 0.771 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215844 1223091332 /nfs/dbraw/zinc/09/13/32/1223091332.db2.gz QUVAGFIJYIXBIN-YESZJQIVSA-N 2 0 355.442 0.117 20 0 FCADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001158249622 1223091797 /nfs/dbraw/zinc/09/17/97/1223091797.db2.gz NGCCQSSODDVSED-HZPDHXFCSA-N 2 0 361.490 0.776 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001158249820 1223091818 /nfs/dbraw/zinc/09/18/18/1223091818.db2.gz OQPIIVZXMSOHSF-GDBMZVCRSA-N 2 0 359.474 0.528 20 0 FCADRP [NH3+][C@@H]1CCN(C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001158260636 1223092421 /nfs/dbraw/zinc/09/24/21/1223092421.db2.gz GNNVLXSOXTXMRF-OAHLLOKOSA-N 2 0 358.490 0.129 20 0 FCADRP CCc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001158261660 1223092440 /nfs/dbraw/zinc/09/24/40/1223092440.db2.gz ONSANSLHKKRMAP-HNNXBMFYSA-N 2 0 360.506 0.877 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001158282487 1223094187 /nfs/dbraw/zinc/09/41/87/1223094187.db2.gz SMJABXKOVDHITB-UAGQMJEPSA-N 2 0 368.522 0.306 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC001158424475 1223097331 /nfs/dbraw/zinc/09/73/31/1223097331.db2.gz RZHXKIUCMGWPPV-XSLAGTTESA-N 2 0 356.470 0.429 20 0 FCADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533455 1223101864 /nfs/dbraw/zinc/10/18/64/1223101864.db2.gz LWWAMZJOQCPOOS-FTEYMNFISA-N 2 0 359.470 0.900 20 0 FCADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001158630101 1223102838 /nfs/dbraw/zinc/10/28/38/1223102838.db2.gz LVBRXRYQVBKVGG-IYOUNJFTSA-N 2 0 371.485 0.705 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158637243 1223103844 /nfs/dbraw/zinc/10/38/44/1223103844.db2.gz SZWFZBXIJJNNIZ-KSSFIOAISA-N 2 0 360.462 0.136 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001158641597 1223103851 /nfs/dbraw/zinc/10/38/51/1223103851.db2.gz KEBBMXAPRVOXRF-KDOFPFPSSA-N 2 0 361.446 0.339 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661668 1223104932 /nfs/dbraw/zinc/10/49/32/1223104932.db2.gz YLIKAKBHTUIYMD-LBPRGKRZSA-N 2 0 358.402 0.022 20 0 FCADRP CC(C)N(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1ncnc2c1CC[NH2+]CC2 ZINC001158760012 1223107075 /nfs/dbraw/zinc/10/70/75/1223107075.db2.gz WWROAFIGEOBMLF-INIZCTEOSA-N 3 0 362.522 0.965 20 0 FCADRP Cn1ncc2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158842950 1223111064 /nfs/dbraw/zinc/11/10/64/1223111064.db2.gz PVSABTOGZQXOAX-XJKSGUPXSA-N 2 0 358.446 0.386 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935672 1223113684 /nfs/dbraw/zinc/11/36/84/1223113684.db2.gz YYTUKYNTDXWGFN-JFIYKMOQSA-N 2 0 357.458 0.110 20 0 FCADRP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@H]2C[NH2+]CC24C[NH2+]C4)CC3)cn1 ZINC001158983653 1223114547 /nfs/dbraw/zinc/11/45/47/1223114547.db2.gz WJZMLUCQLAYRPT-GDBMZVCRSA-N 2 0 359.474 0.094 20 0 FCADRP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@]24C[NH2+]C[C@H]2C[NH2+]CC4)CC3)cn1 ZINC001158983702 1223114573 /nfs/dbraw/zinc/11/45/73/1223114573.db2.gz XWPOCKYMSXOBSF-WRWLIDTKSA-N 2 0 373.501 0.484 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001159133875 1223118233 /nfs/dbraw/zinc/11/82/33/1223118233.db2.gz KHJZKQNNKXJSJC-XHSDSOJGSA-N 2 0 363.506 0.949 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159147324 1223118941 /nfs/dbraw/zinc/11/89/41/1223118941.db2.gz XEDCRGUERNXNQA-IBGZPJMESA-N 2 0 359.474 0.504 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192897 1223120081 /nfs/dbraw/zinc/12/00/81/1223120081.db2.gz YTVPLRDKUYGIKB-YJBOKZPZSA-N 2 0 361.490 0.595 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159191378 1223120387 /nfs/dbraw/zinc/12/03/87/1223120387.db2.gz ULDYCNOGMGSKBW-OLZOCXBDSA-N 2 0 363.462 0.239 20 0 FCADRP CO[C@@H]1CCN(C(=O)CNCCC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317170 1223124029 /nfs/dbraw/zinc/12/40/29/1223124029.db2.gz RNGRVJJXZNOCED-RCCFBDPRSA-N 2 0 361.490 0.068 20 0 FCADRP Cc1cccc(N(C(=O)CN2CC[NH2+]CC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338859 1223124563 /nfs/dbraw/zinc/12/45/63/1223124563.db2.gz IVCOGWDCMDHAIF-UYAOXDASSA-N 2 0 358.486 0.754 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncccn2)[C@H](O)OC(C)(C)C)C1 ZINC001159343150 1223125133 /nfs/dbraw/zinc/12/51/33/1223125133.db2.gz OCGRLVODURHONR-WNZSCWOMSA-N 2 0 367.494 0.750 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)C2 ZINC001159471612 1223127764 /nfs/dbraw/zinc/12/77/64/1223127764.db2.gz ITSPYPJFCXZIIM-NMDDUFOESA-N 2 0 362.518 0.143 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)CC[C@@H]21 ZINC001159532645 1223129270 /nfs/dbraw/zinc/12/92/70/1223129270.db2.gz AAVZXUKQFMOJAC-XDNAFOTISA-N 2 0 360.506 0.144 20 0 FCADRP O=C(c1ccc(Nc2cnc(N3CC[NH2+]CC3)nc2)cc1)N1CC[NH2+]CC1 ZINC001159527608 1223129453 /nfs/dbraw/zinc/12/94/53/1223129453.db2.gz CGWOZRWBJGIYFR-UHFFFAOYSA-N 2 0 367.457 0.675 20 0 FCADRP O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550011 1223130027 /nfs/dbraw/zinc/13/00/27/1223130027.db2.gz UWYNFXSSUCBFDC-LJQANCHMSA-N 2 0 372.473 0.766 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665243 1223132722 /nfs/dbraw/zinc/13/27/22/1223132722.db2.gz IGWYPTFIZJUDFS-BZSNNMDCSA-N 3 0 361.490 0.340 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696124 1223133847 /nfs/dbraw/zinc/13/38/47/1223133847.db2.gz COCFJEOSPFJJRR-QZTJIDSGSA-N 2 0 370.497 0.836 20 0 FCADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C[C@@H]32)C1=O ZINC001159687474 1223133913 /nfs/dbraw/zinc/13/39/13/1223133913.db2.gz BIDKMLHIAAUHJF-PASDCYSWSA-N 2 0 363.506 0.591 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159699316 1223134523 /nfs/dbraw/zinc/13/45/23/1223134523.db2.gz OSGVMMCWSFLEFS-MYZZLAAOSA-N 2 0 374.485 0.793 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159697494 1223134666 /nfs/dbraw/zinc/13/46/66/1223134666.db2.gz HRCHFKLDCXFTSK-LTIDMASMSA-N 2 0 362.474 0.923 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159698325 1223134701 /nfs/dbraw/zinc/13/47/01/1223134701.db2.gz LRKGKLBWLAZXKC-IAGOWNOFSA-N 2 0 368.481 0.318 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160007004 1223142539 /nfs/dbraw/zinc/14/25/39/1223142539.db2.gz AMAGXLRVPJRETR-HNNXBMFYSA-N 2 0 358.446 0.656 20 0 FCADRP Cc1ccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053274 1223143482 /nfs/dbraw/zinc/14/34/82/1223143482.db2.gz REUFXUUFBLSOCA-IPELMVKDSA-N 2 0 374.489 0.110 20 0 FCADRP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@H]4C[NH2+]CC45C[NH2+]C5)C3)CC2=O)s1 ZINC001160095236 1223145525 /nfs/dbraw/zinc/14/55/25/1223145525.db2.gz UGDKJDMYDMSTFT-RDTXWAMCSA-N 2 0 374.510 0.821 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160230141 1223150769 /nfs/dbraw/zinc/15/07/69/1223150769.db2.gz IBDRXHGDXQMEPU-IRXDYDNUSA-N 2 0 372.473 0.520 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160388650 1223157368 /nfs/dbraw/zinc/15/73/68/1223157368.db2.gz OESDHJSRPYFVPP-INIZCTEOSA-N 3 0 367.538 0.249 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415364 1223158313 /nfs/dbraw/zinc/15/83/13/1223158313.db2.gz SGQRAVBHLMPBQB-APWZRJJASA-N 2 0 372.473 0.149 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160539023 1223163727 /nfs/dbraw/zinc/16/37/27/1223163727.db2.gz NLSAACOSARGSRR-QGZVFWFLSA-N 2 0 374.489 0.113 20 0 FCADRP O=C(N1CCN(c2nccc3occc32)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160589116 1223165691 /nfs/dbraw/zinc/16/56/91/1223165691.db2.gz MKSLMUFJBTWNCC-AUUYWEPGSA-N 2 0 355.442 0.676 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589198 1223165888 /nfs/dbraw/zinc/16/58/88/1223165888.db2.gz NXVUZWDARHSNLO-AWEZNQCLSA-N 3 0 359.474 0.689 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001160627754 1223166432 /nfs/dbraw/zinc/16/64/32/1223166432.db2.gz GLXIZOKEUIXGFO-MOPGFXCFSA-N 3 0 367.582 0.792 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2cc3ccccc3o2)N2CC[C@@H]([NH3+])C2)CCO1 ZINC001160643722 1223167534 /nfs/dbraw/zinc/16/75/34/1223167534.db2.gz MZJDZIULRXYFOO-RVKKMQEKSA-N 2 0 358.442 0.693 20 0 FCADRP CCN(CCn1cccn1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160693148 1223168567 /nfs/dbraw/zinc/16/85/67/1223168567.db2.gz KCHHXGZZXIQGMG-HOTGVXAUSA-N 2 0 364.494 0.179 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160781776 1223172812 /nfs/dbraw/zinc/17/28/12/1223172812.db2.gz VGZOWLCMRNUMHS-HBFSDRIKSA-N 2 0 358.486 0.620 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3[NH2+]Cc4ccccc43)C[C@H]1C2 ZINC001160793568 1223173172 /nfs/dbraw/zinc/17/31/72/1223173172.db2.gz BJDFOIIHBGNYAA-YHSHNQQUSA-N 2 0 355.438 0.688 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[N@@H+](C(C)(C)C)CCN3)C[C@H]1C[NH2+]CC2 ZINC001160811957 1223174764 /nfs/dbraw/zinc/17/47/64/1223174764.db2.gz BJKMBSDSUSMLSB-SPYBWZPUSA-N 2 0 366.506 0.060 20 0 FCADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001160824542 1223175703 /nfs/dbraw/zinc/17/57/03/1223175703.db2.gz OTQBOYUKOMQUTH-LBPRGKRZSA-N 2 0 362.430 0.610 20 0 FCADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001160840436 1223177096 /nfs/dbraw/zinc/17/70/96/1223177096.db2.gz WMESEDZJLLHSLQ-DLBZAZTESA-N 2 0 363.458 0.626 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C1CC[NH2+]CC1 ZINC001160905622 1223180585 /nfs/dbraw/zinc/18/05/85/1223180585.db2.gz RWBXVBDGIDSYIK-QGZVFWFLSA-N 2 0 370.457 0.282 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160921120 1223181272 /nfs/dbraw/zinc/18/12/72/1223181272.db2.gz USBCAQLAHNPCFR-UHFFFAOYSA-N 2 0 363.437 0.019 20 0 FCADRP CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161061566 1223184474 /nfs/dbraw/zinc/18/44/74/1223184474.db2.gz HGVVNQCGKSKJQX-NJAFHUGGSA-N 2 0 371.485 0.882 20 0 FCADRP NC1(C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001161152234 1223187941 /nfs/dbraw/zinc/18/79/41/1223187941.db2.gz CSOZQPLIMRDFHF-UHFFFAOYSA-N 2 0 372.395 0.661 20 0 FCADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196412 1223188459 /nfs/dbraw/zinc/18/84/59/1223188459.db2.gz GONVTONSEJKIMV-QUCCMNQESA-N 2 0 364.534 0.537 20 0 FCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198250 1223189106 /nfs/dbraw/zinc/18/91/06/1223189106.db2.gz OMSVDQPBPLMFTB-SFHVURJKSA-N 2 0 366.550 0.783 20 0 FCADRP O=C(N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001161196813 1223189185 /nfs/dbraw/zinc/18/91/85/1223189185.db2.gz SGBIXSOLKXGZLL-ICSRJNTNSA-N 2 0 364.534 0.537 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC001161198516 1223189296 /nfs/dbraw/zinc/18/92/96/1223189296.db2.gz VPKDXHGPDYPDCU-KDOFPFPSSA-N 2 0 374.526 0.650 20 0 FCADRP CC1(C)[NH2+][C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CO1 ZINC001161197494 1223189356 /nfs/dbraw/zinc/18/93/56/1223189356.db2.gz ATDKBFCBWBTIKC-KRWDZBQOSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C[C@H](C)[NH2+]1 ZINC001161231925 1223191186 /nfs/dbraw/zinc/19/11/86/1223191186.db2.gz STWDCGXJCNPQSY-MKBNYLNASA-N 2 0 359.426 0.967 20 0 FCADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001161245864 1223191686 /nfs/dbraw/zinc/19/16/86/1223191686.db2.gz HFEQKQXJXMILRB-TXPKVOOTSA-N 2 0 362.449 0.365 20 0 FCADRP [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001161299600 1223194444 /nfs/dbraw/zinc/19/44/44/1223194444.db2.gz UVSQVRVLSAMNHJ-SHTZXODSSA-N 2 0 369.473 0.964 20 0 FCADRP O=C(N1CCC2(CCN(CC3CC3)C2=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161317033 1223196036 /nfs/dbraw/zinc/19/60/36/1223196036.db2.gz LXVMUGYWNXKQAM-OXQOHEQNSA-N 2 0 360.502 0.437 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322576 1223196144 /nfs/dbraw/zinc/19/61/44/1223196144.db2.gz UQTPNUPTTMLRHG-MUIFIZLQSA-N 2 0 367.490 0.663 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378300 1223197026 /nfs/dbraw/zinc/19/70/26/1223197026.db2.gz LUCIQPVBGVOBKT-RBUKOAKNSA-N 2 0 373.545 0.906 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)CC1 ZINC001161379741 1223197239 /nfs/dbraw/zinc/19/72/39/1223197239.db2.gz HNVNAKYPQLTCSO-MRXNPFEDSA-N 2 0 358.490 0.129 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386933 1223197611 /nfs/dbraw/zinc/19/76/11/1223197611.db2.gz NPMFZVWDVIADOA-INIZCTEOSA-N 3 0 364.469 0.056 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3cccnc3O[C@H]3CC[NH2+]C3)C2)CC1 ZINC001161381888 1223197765 /nfs/dbraw/zinc/19/77/65/1223197765.db2.gz QQUZROOFRVBPRV-HOTGVXAUSA-N 2 0 359.474 0.460 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390488 1223198032 /nfs/dbraw/zinc/19/80/32/1223198032.db2.gz YTJXUUXHLUKMRF-WBVHZDCISA-N 2 0 357.458 0.756 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC001161412621 1223198597 /nfs/dbraw/zinc/19/85/97/1223198597.db2.gz LKOIUFJCUHDUIK-LFDJNIOPSA-N 2 0 370.497 0.662 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161443608 1223198954 /nfs/dbraw/zinc/19/89/54/1223198954.db2.gz ZQWUTPXSUDEGKY-DLBZAZTESA-N 3 0 374.533 0.276 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161449717 1223199722 /nfs/dbraw/zinc/19/97/22/1223199722.db2.gz QJTUVTOOABKJER-JKSUJKDBSA-N 3 0 361.490 0.578 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161459498 1223200404 /nfs/dbraw/zinc/20/04/04/1223200404.db2.gz MMWAXOASPKWGCC-QGZVFWFLSA-N 2 0 354.458 0.858 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](Oc3ccccc3)C[NH2+]1)CC2 ZINC001161476221 1223200434 /nfs/dbraw/zinc/20/04/34/1223200434.db2.gz BTYIQBZTMAQUKZ-LJCCNALRSA-N 2 0 373.453 0.550 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CCC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493066 1223202110 /nfs/dbraw/zinc/20/21/10/1223202110.db2.gz BHEMYOSZOZZAKM-OHQAAIJDSA-N 2 0 371.485 0.817 20 0 FCADRP C[N@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161500998 1223202564 /nfs/dbraw/zinc/20/25/64/1223202564.db2.gz WNIWHNRDGHMKOH-DJPFJPOOSA-N 2 0 370.497 0.644 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CCC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493068 1223202632 /nfs/dbraw/zinc/20/26/32/1223202632.db2.gz BHEMYOSZOZZAKM-WTLGNFPFSA-N 2 0 371.485 0.817 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584492 1223205014 /nfs/dbraw/zinc/20/50/14/1223205014.db2.gz BSYUJXBIBBAOGC-SJLPKXTDSA-N 2 0 357.454 0.801 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC3(CC2)[NH2+]Cc2ccccc23)C1=O ZINC001161595717 1223205299 /nfs/dbraw/zinc/20/52/99/1223205299.db2.gz SXXHEZNABJRQDE-KRWDZBQOSA-N 2 0 356.470 0.947 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001161601944 1223205675 /nfs/dbraw/zinc/20/56/75/1223205675.db2.gz YSGQQPPUKIGMQR-HKUYNNGSSA-N 2 0 358.486 0.912 20 0 FCADRP COC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162282927 1223212601 /nfs/dbraw/zinc/21/26/01/1223212601.db2.gz AIONWJINDRMYHU-IXDOHACOSA-N 2 0 371.522 0.179 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917435 1223221851 /nfs/dbraw/zinc/22/18/51/1223221851.db2.gz OUWYUGFISGDUBA-VHDGCEQUSA-N 2 0 366.462 0.325 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(NCc3noc4c3C[NH2+]CC4)nn2)CC1 ZINC001163129886 1223227371 /nfs/dbraw/zinc/22/73/71/1223227371.db2.gz OYLLBCWEYOCDBO-UHFFFAOYSA-N 2 0 371.445 0.546 20 0 FCADRP O=C1N[C@@H](c2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc2)CC12C[NH2+]C2 ZINC001163171785 1223227834 /nfs/dbraw/zinc/22/78/34/1223227834.db2.gz OCQSDFIECDFOEK-DDBAPUKQSA-N 2 0 356.470 0.874 20 0 FCADRP COc1ccc(CN2CC[NH+](C)CC2)cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163254618 1223228496 /nfs/dbraw/zinc/22/84/96/1223228496.db2.gz OPXFWDSBDJRTQA-MJGOQNOKSA-N 2 0 359.474 0.433 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164583137 1223240360 /nfs/dbraw/zinc/24/03/60/1223240360.db2.gz UTDKOEQMFOUOTK-IXDOHACOSA-N 2 0 371.522 0.227 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ncc3c(n2)C[NH2+]C3)nc1 ZINC001165459032 1223246327 /nfs/dbraw/zinc/24/63/27/1223246327.db2.gz CCHSCQPECFQJAS-UHFFFAOYSA-N 2 0 350.386 0.842 20 0 FCADRP CCCC[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C(N)=O ZINC001165728830 1223255058 /nfs/dbraw/zinc/25/50/58/1223255058.db2.gz VOCBWROWGPILLI-OWCLPIDISA-N 2 0 368.522 0.626 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165935151 1223262002 /nfs/dbraw/zinc/26/20/02/1223262002.db2.gz BFZUWVJJNIUDPP-GFCCVEGCSA-N 2 0 367.457 0.578 20 0 FCADRP C[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001205321840 1223319939 /nfs/dbraw/zinc/31/99/39/1223319939.db2.gz LKVJIBHWOUPCTL-IPELMVKDSA-N 2 0 367.534 0.942 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205519606 1223330667 /nfs/dbraw/zinc/33/06/67/1223330667.db2.gz WXPQNEOOVWDUFW-ZWKOTPCHSA-N 2 0 365.518 0.794 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001205648766 1223334150 /nfs/dbraw/zinc/33/41/50/1223334150.db2.gz RNIUZVMRGAVKPP-USXIJHARSA-N 2 0 362.449 0.550 20 0 FCADRP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CCC2)C1CCC1 ZINC001207437227 1223446325 /nfs/dbraw/zinc/44/63/25/1223446325.db2.gz QXOUFEKQFXUNMM-UHFFFAOYSA-N 2 0 373.501 0.865 20 0 FCADRP CN(C)C(=O)[C@]12C[N@H+](CC3CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001207436632 1223446630 /nfs/dbraw/zinc/44/66/30/1223446630.db2.gz GBDQCCRMKRWBDQ-YLJYHZDGSA-N 2 0 372.517 0.835 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705862 1223472647 /nfs/dbraw/zinc/47/26/47/1223472647.db2.gz KQRCGAYDUULUDJ-HZPDHXFCSA-N 2 0 364.494 0.073 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001208596648 1223560942 /nfs/dbraw/zinc/56/09/42/1223560942.db2.gz WJHQRSNAFJGYPV-FQEVSTJZSA-N 2 0 366.550 0.879 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604198 1223561669 /nfs/dbraw/zinc/56/16/69/1223561669.db2.gz DKWRIYFAZIQANN-AYOQOUSVSA-N 2 0 363.502 0.848 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001208604878 1223561870 /nfs/dbraw/zinc/56/18/70/1223561870.db2.gz LSYIKFZAEJGHED-VQIMIIECSA-N 2 0 363.502 0.850 20 0 FCADRP CC(=O)N1CCC[C@@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)C1 ZINC001208957077 1223588232 /nfs/dbraw/zinc/58/82/32/1223588232.db2.gz JTWZBCRXIGNPIC-RDGPPVDQSA-N 2 0 360.506 0.931 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCOC[C@@]3(CC(=O)N(CC(F)F)C3)C2)CC1 ZINC001276637172 1223614695 /nfs/dbraw/zinc/61/46/95/1223614695.db2.gz XCDVKLXFXPGYDD-SFHVURJKSA-N 2 0 374.476 0.440 20 0 FCADRP CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001209514243 1223626503 /nfs/dbraw/zinc/62/65/03/1223626503.db2.gz JDAOVHVLLFGMNB-IXDOHACOSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667834 1223647938 /nfs/dbraw/zinc/64/79/38/1223647938.db2.gz LOSIKYICZKLUAD-IBGZPJMESA-N 2 0 370.513 0.677 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210041898 1223663610 /nfs/dbraw/zinc/66/36/10/1223663610.db2.gz XNOQFMFKSASWCE-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298351 1223681787 /nfs/dbraw/zinc/68/17/87/1223681787.db2.gz ORUGTISIGBNXSH-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314996 1223682295 /nfs/dbraw/zinc/68/22/95/1223682295.db2.gz HUINAMYUFPTYOX-CXAGYDPISA-N 2 0 361.446 0.738 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1cncn1C ZINC001210723477 1223704399 /nfs/dbraw/zinc/70/43/99/1223704399.db2.gz LYTTXTPEYNMCKN-FVQBIDKESA-N 2 0 357.462 0.568 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001211367402 1223737640 /nfs/dbraw/zinc/73/76/40/1223737640.db2.gz SLPRYFPJTCKGJF-JFIYKMOQSA-N 2 0 367.490 0.934 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342126 1223788287 /nfs/dbraw/zinc/78/82/87/1223788287.db2.gz IAPGLJMKXCQHFD-ARFHVFGLSA-N 2 0 366.506 0.060 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576350 1223816164 /nfs/dbraw/zinc/81/61/64/1223816164.db2.gz KRESBHXHZXYNLY-RCCFBDPRSA-N 2 0 369.506 0.341 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1)OC ZINC001213576043 1223816299 /nfs/dbraw/zinc/81/62/99/1223816299.db2.gz FPUWMUYZZYXTLD-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638309 1223826158 /nfs/dbraw/zinc/82/61/58/1223826158.db2.gz IFGYHULLZHEYNA-QZTJIDSGSA-N 2 0 371.522 0.728 20 0 FCADRP CO[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728837 1223839975 /nfs/dbraw/zinc/83/99/75/1223839975.db2.gz VJYLFSZTIORURH-GVDBMIGSSA-N 2 0 367.490 0.093 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213757340 1223844836 /nfs/dbraw/zinc/84/48/36/1223844836.db2.gz DRWHTALLCMFOIF-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213765021 1223845837 /nfs/dbraw/zinc/84/58/37/1223845837.db2.gz QCHUBDFNNHGAEZ-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765005 1223846282 /nfs/dbraw/zinc/84/62/82/1223846282.db2.gz OTDNHGYWSOWELO-BZUAXINKSA-N 2 0 364.494 0.313 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)on1 ZINC001214855245 1223948445 /nfs/dbraw/zinc/94/84/45/1223948445.db2.gz AVDNKHULAIDOTR-JDSLSITLSA-N 2 0 363.462 0.698 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)on1 ZINC001214973293 1223960491 /nfs/dbraw/zinc/96/04/91/1223960491.db2.gz QKLMPSSGIDVFFV-YUELXQCFSA-N 2 0 363.462 0.842 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C)C(=O)N(C)C ZINC001215015125 1223964444 /nfs/dbraw/zinc/96/44/44/1223964444.db2.gz IAPXXLYDFRTROU-BFYDXBDKSA-N 2 0 361.490 0.821 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C)C(=O)N(C)C ZINC001215015126 1223964475 /nfs/dbraw/zinc/96/44/75/1223964475.db2.gz IAPXXLYDFRTROU-HLLBOEOZSA-N 2 0 361.490 0.821 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057011 1223968825 /nfs/dbraw/zinc/96/88/25/1223968825.db2.gz SDFFDMFOTHATBP-BRWVUGGUSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215184394 1223980580 /nfs/dbraw/zinc/98/05/80/1223980580.db2.gz BRUKSHXXCPOLPE-CQNSDRIQSA-N 2 0 363.502 0.855 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1)[NH+](CC)CC ZINC001215518930 1224004160 /nfs/dbraw/zinc/00/41/60/1224004160.db2.gz REGJDTSJXVCISX-ZACQAIPSSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1)[NH+]1CCCC1 ZINC001215599025 1224008870 /nfs/dbraw/zinc/00/88/70/1224008870.db2.gz OCONTCDHXFTZTD-BRWVUGGUSA-N 2 0 364.494 0.216 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001215599135 1224008923 /nfs/dbraw/zinc/00/89/23/1224008923.db2.gz SKECHFBDAXYUFA-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215862021 1224021435 /nfs/dbraw/zinc/02/14/35/1224021435.db2.gz URJJELLWKJMTPH-GDBMZVCRSA-N 2 0 364.494 0.021 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216001763 1224029606 /nfs/dbraw/zinc/02/96/06/1224029606.db2.gz JIYOGEQTIHTGIA-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216383815 1224048025 /nfs/dbraw/zinc/04/80/25/1224048025.db2.gz QGARHMYUOQZQMP-HLLBOEOZSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216402141 1224048581 /nfs/dbraw/zinc/04/85/81/1224048581.db2.gz UZNFDBGLYZBNIA-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216413491 1224049096 /nfs/dbraw/zinc/04/90/96/1224049096.db2.gz KNONVLXGUHTFBD-CZUORRHYSA-N 2 0 359.474 0.819 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216502450 1224053452 /nfs/dbraw/zinc/05/34/52/1224053452.db2.gz BJWBNDOOBJNKJF-RBSFLKMASA-N 2 0 362.478 0.582 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216510867 1224053484 /nfs/dbraw/zinc/05/34/84/1224053484.db2.gz BNKPQYSXWOIERE-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216828622 1224076245 /nfs/dbraw/zinc/07/62/45/1224076245.db2.gz JNEPJVKVZPFUKE-KZNAEPCWSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001216835835 1224076996 /nfs/dbraw/zinc/07/69/96/1224076996.db2.gz JLVZCNGHTFTYSS-HZPDHXFCSA-N 2 0 364.490 0.448 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838950 1224077525 /nfs/dbraw/zinc/07/75/25/1224077525.db2.gz JTPSQEKJLHQMGR-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216845031 1224078772 /nfs/dbraw/zinc/07/87/72/1224078772.db2.gz URKOJPHXZORWHO-KBAYOESNSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987463442 1249029460 /nfs/dbraw/zinc/02/94/60/1249029460.db2.gz HNCUQCPZIDFESG-PVAVHDDUSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000988094748 1249339619 /nfs/dbraw/zinc/33/96/19/1249339619.db2.gz MEPYUNNIJWAJQC-JFIYKMOQSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993435143 1249533733 /nfs/dbraw/zinc/53/37/33/1249533733.db2.gz HRPXXVMEFULIGR-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000993876374 1250038357 /nfs/dbraw/zinc/03/83/57/1250038357.db2.gz WQYREAHPDFQGAC-INMHGKMJSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OCC(N)=O)cc3)cn2)CC1 ZINC000030661247 1245292947 /nfs/dbraw/zinc/29/29/47/1245292947.db2.gz QWQAPWUCJOXHPQ-UHFFFAOYSA-N 2 0 369.469 0.987 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891511454 1245451991 /nfs/dbraw/zinc/45/19/91/1245451991.db2.gz CKOHSXQDJXDQPB-HOTGVXAUSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000891497220 1245452011 /nfs/dbraw/zinc/45/20/11/1245452011.db2.gz GZAFDCXNCKDEPF-CALCHBBNSA-N 2 0 359.474 0.624 20 0 FCADRP CN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1(C[NH3+])CCCCC1 ZINC000891563291 1245455823 /nfs/dbraw/zinc/45/58/23/1245455823.db2.gz CMKIDXQCBPCIBU-QGZVFWFLSA-N 2 0 367.538 0.696 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911518380 1245505699 /nfs/dbraw/zinc/50/56/99/1245505699.db2.gz UVOJGXOTQAJGLT-IAGOWNOFSA-N 2 0 356.470 0.814 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000915722037 1245527514 /nfs/dbraw/zinc/52/75/14/1245527514.db2.gz WTIDAYIWEITRMJ-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000915765946 1245529396 /nfs/dbraw/zinc/52/93/96/1245529396.db2.gz YVCOLIJYCCSTKF-INIZCTEOSA-N 2 0 373.501 0.977 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000925003437 1245737564 /nfs/dbraw/zinc/73/75/64/1245737564.db2.gz UXXXPYZOAJSJOQ-SJORKVTESA-N 2 0 358.486 0.998 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994219585 1250291464 /nfs/dbraw/zinc/29/14/64/1250291464.db2.gz RKQFTHQAIFVFTA-ZTFGCOKTSA-N 2 0 364.534 0.879 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548486 1247122162 /nfs/dbraw/zinc/12/21/62/1247122162.db2.gz XERBAJRQYUOWNX-IAGOWNOFSA-N 2 0 366.506 0.155 20 0 FCADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000942876548 1247208797 /nfs/dbraw/zinc/20/87/97/1247208797.db2.gz KBEHYUAXDGJTEY-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000943284214 1247286209 /nfs/dbraw/zinc/28/62/09/1247286209.db2.gz AYELUJZWNUODLW-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CCO2)CC[N@@H+]1C ZINC000944619559 1247585659 /nfs/dbraw/zinc/58/56/59/1247585659.db2.gz ZCHRDNRTYKIYFB-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946594954 1247908809 /nfs/dbraw/zinc/90/88/09/1247908809.db2.gz BIGUYXCVCMXAJO-XLMAVXFVSA-N 2 0 360.506 0.826 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597674 1247909562 /nfs/dbraw/zinc/90/95/62/1247909562.db2.gz FROMJGCSEVCTCJ-IGKNDFSCSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001327933544 1265456670 /nfs/dbraw/zinc/45/66/70/1265456670.db2.gz YDPUMKLMBVQAKU-OAHLLOKOSA-N 2 0 362.478 0.530 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976595504 1248268941 /nfs/dbraw/zinc/26/89/41/1248268941.db2.gz LXMZUOYOGDWGOZ-OBRKIGFESA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]32)CC[N@@H+]1C ZINC000976600983 1248280139 /nfs/dbraw/zinc/28/01/39/1248280139.db2.gz HVSCUMBAZUQXIW-YGTFVGLLSA-N 2 0 360.502 0.241 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976697858 1248343708 /nfs/dbraw/zinc/34/37/08/1248343708.db2.gz FVJMWEIIWCUGHG-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000976750234 1248380026 /nfs/dbraw/zinc/38/00/26/1248380026.db2.gz VZXHCUADJSHNMU-LSPIHWNJSA-N 2 0 371.485 0.818 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000976768102 1248393496 /nfs/dbraw/zinc/39/34/96/1248393496.db2.gz WTVSEFFGPJXBRL-QBPKDAKJSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994333036 1250381214 /nfs/dbraw/zinc/38/12/14/1250381214.db2.gz RMYOVOYYYGHDJI-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498353 1265519203 /nfs/dbraw/zinc/51/92/03/1265519203.db2.gz YSEDNCXRHRTLHH-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC000996719353 1251425310 /nfs/dbraw/zinc/42/53/10/1251425310.db2.gz KJLDLTXDFRIZPQ-OWSLCNJRSA-N 2 0 372.513 0.672 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000998062485 1251769673 /nfs/dbraw/zinc/76/96/73/1251769673.db2.gz HRTLOZUTHBKLSJ-QZWWFDLISA-N 2 0 360.502 0.815 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC000998467526 1251890044 /nfs/dbraw/zinc/89/00/44/1251890044.db2.gz XCBGDCGVZABLQQ-ORQFMDKSSA-N 2 0 359.474 0.924 20 0 FCADRP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC1 ZINC000998657321 1251942881 /nfs/dbraw/zinc/94/28/81/1251942881.db2.gz WNDCEOMILYFNFH-IKGGRYGDSA-N 2 0 360.502 0.672 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2)C12CC[NH+](CC1)C2 ZINC000998658967 1251943373 /nfs/dbraw/zinc/94/33/73/1251943373.db2.gz NCRSYVPSMXXAML-IKGGRYGDSA-N 2 0 372.513 0.959 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001328808392 1265619158 /nfs/dbraw/zinc/61/91/58/1265619158.db2.gz SVVQIGSILJCJQY-MRXNPFEDSA-N 2 0 366.506 0.109 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999209214 1252070411 /nfs/dbraw/zinc/07/04/11/1252070411.db2.gz OXJLSZXUXCTRFT-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002241674 1252485607 /nfs/dbraw/zinc/48/56/07/1252485607.db2.gz AAZQBWGOKNSMPC-KBAYOESNSA-N 2 0 364.534 0.879 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1Cc2ccccc2C1 ZINC001329014386 1265675396 /nfs/dbraw/zinc/67/53/96/1265675396.db2.gz ZHJGJUUOGNUWCE-UHFFFAOYSA-N 2 0 360.502 0.469 20 0 FCADRP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001004211810 1253247969 /nfs/dbraw/zinc/24/79/69/1253247969.db2.gz SJSWIAIAXCDGGE-VQHPVUNQSA-N 2 0 359.474 0.781 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2)C12CC[NH+](CC1)C2 ZINC001004390660 1253311634 /nfs/dbraw/zinc/31/16/34/1253311634.db2.gz KGRUQCSSQOZUCT-TVFCKZIOSA-N 2 0 372.513 0.672 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC001329251792 1265721361 /nfs/dbraw/zinc/72/13/61/1265721361.db2.gz CIJIIYUEWDPFRU-UHFFFAOYSA-N 2 0 357.462 0.806 20 0 FCADRP C/C(=C/C(=O)N1CC[C@H](C[NH+](C)C)C1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001519776863 1265770997 /nfs/dbraw/zinc/77/09/97/1265770997.db2.gz PMUYBNNHKOUHSV-KNUIFBHBSA-N 2 0 350.507 0.753 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001033838259 1253968937 /nfs/dbraw/zinc/96/89/37/1253968937.db2.gz MOXIKFRFDNALMZ-IXDOHACOSA-N 2 0 365.522 0.665 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001034741768 1254005357 /nfs/dbraw/zinc/00/53/57/1254005357.db2.gz KLKPXGGKOTWRJI-TVFCKZIOSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[N@H+](CC3CC3)CCO2)CC1 ZINC001035370431 1254025434 /nfs/dbraw/zinc/02/54/34/1254025434.db2.gz LRRMBTOAHOHBGX-OTWHNJEPSA-N 2 0 365.518 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001061622238 1254194445 /nfs/dbraw/zinc/19/44/45/1254194445.db2.gz NYOALDRLEVXLKG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001061663013 1254201257 /nfs/dbraw/zinc/20/12/57/1254201257.db2.gz FNYJJIAOCFJDCZ-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001061826562 1254228329 /nfs/dbraw/zinc/22/83/29/1254228329.db2.gz CNJPDRDRXZPENX-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2O)cn1 ZINC001077817957 1255018729 /nfs/dbraw/zinc/01/87/29/1255018729.db2.gz BSRWPVUHGOMZSJ-QZTJIDSGSA-N 2 0 363.506 0.800 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)cc1 ZINC001077844192 1255041415 /nfs/dbraw/zinc/04/14/15/1255041415.db2.gz ZVXFNRROEHHIHR-BHIYHBOVSA-N 2 0 361.486 0.950 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978579 1255142655 /nfs/dbraw/zinc/14/26/55/1255142655.db2.gz KFRMIEVHOGTMLU-BHIYHBOVSA-N 2 0 365.518 0.696 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259651 1255491908 /nfs/dbraw/zinc/49/19/08/1255491908.db2.gz MHEXAXMIVYBQOZ-FGTMMUONSA-N 2 0 365.518 0.650 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270333 1255496643 /nfs/dbraw/zinc/49/66/43/1255496643.db2.gz NAKVAUHZOWJJPS-FGTMMUONSA-N 2 0 365.518 0.914 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844827 1255630838 /nfs/dbraw/zinc/63/08/38/1255630838.db2.gz DAETXSKEDMHGEM-IXDOHACOSA-N 2 0 365.522 0.426 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001330300419 1265982603 /nfs/dbraw/zinc/98/26/03/1265982603.db2.gz PCYYWUGUYBWCIR-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001330300421 1265982784 /nfs/dbraw/zinc/98/27/84/1265982784.db2.gz PCYYWUGUYBWCIR-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037706 1255719880 /nfs/dbraw/zinc/71/98/80/1255719880.db2.gz RMTTZVYSIRTLMW-NVXWUHKLSA-N 2 0 358.486 0.950 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001080138283 1255755763 /nfs/dbraw/zinc/75/57/63/1255755763.db2.gz FKRHKMYGQAUEAF-DLBZAZTESA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080449766 1255895040 /nfs/dbraw/zinc/89/50/40/1255895040.db2.gz YLFFEKQTFCAATM-BRWVUGGUSA-N 2 0 363.506 0.412 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081124392 1256188164 /nfs/dbraw/zinc/18/81/64/1256188164.db2.gz DEWAPOGBGABUGQ-KSZLIROESA-N 2 0 358.486 0.930 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081127140 1256188941 /nfs/dbraw/zinc/18/89/41/1256188941.db2.gz YEBJWUWKXIRDPS-OKZBNKHCSA-N 2 0 358.486 0.930 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081150870 1256192995 /nfs/dbraw/zinc/19/29/95/1256192995.db2.gz IBYLGTACTSOUAU-AWUNBKGKSA-N 2 0 371.481 0.426 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081227022 1256211839 /nfs/dbraw/zinc/21/18/39/1256211839.db2.gz MHNBKYNWBSJHJM-OKZBNKHCSA-N 2 0 356.470 0.555 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799294 1256378060 /nfs/dbraw/zinc/37/80/60/1256378060.db2.gz KXEQJPQGMFCIPA-KZNAEPCWSA-N 2 0 363.506 0.961 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932375 1256458366 /nfs/dbraw/zinc/45/83/66/1256458366.db2.gz BOTVFEYRXHLBJJ-KBRIMQKVSA-N 2 0 359.430 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082512218 1256797186 /nfs/dbraw/zinc/79/71/86/1256797186.db2.gz RUCMCFVVWLMRIQ-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082518047 1256803627 /nfs/dbraw/zinc/80/36/27/1256803627.db2.gz WQJFNUROBYUGOK-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082561921 1256859226 /nfs/dbraw/zinc/85/92/26/1256859226.db2.gz ZPYZEODROOZBQE-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)on1 ZINC001082653542 1256958286 /nfs/dbraw/zinc/95/82/86/1256958286.db2.gz PXHAIYDCPHBTLL-JISMVTRBSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082653663 1256960002 /nfs/dbraw/zinc/96/00/02/1256960002.db2.gz XBZLOLUYODYURJ-UYJRAODCSA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082662817 1256965172 /nfs/dbraw/zinc/96/51/72/1256965172.db2.gz CFLQNGSXZLLCMS-FHLIZLRMSA-N 2 0 358.486 0.729 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082828838 1257086313 /nfs/dbraw/zinc/08/63/13/1257086313.db2.gz LKOVQOFHFBCYCT-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082829016 1257087029 /nfs/dbraw/zinc/08/70/29/1257087029.db2.gz YHGCNGCDFIGORY-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001082863201 1257113839 /nfs/dbraw/zinc/11/38/39/1257113839.db2.gz RXXMXMXNUFORCG-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c1 ZINC001082920793 1257144997 /nfs/dbraw/zinc/14/49/97/1257144997.db2.gz FBOUYIFUZBSJSJ-FHLIZLRMSA-N 2 0 358.486 0.934 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106580 1257320533 /nfs/dbraw/zinc/32/05/33/1257320533.db2.gz KWSIVCJPOKUOHS-IXDOHACOSA-N 2 0 364.490 0.003 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001521342603 1266113927 /nfs/dbraw/zinc/11/39/27/1266113927.db2.gz LZIQEQRDFLEKEV-KZNAEPCWSA-N 2 0 369.554 0.763 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001083733426 1257470785 /nfs/dbraw/zinc/47/07/85/1257470785.db2.gz NNNXXQBOXVJSNM-IKGGRYGDSA-N 2 0 365.474 0.931 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC001330929832 1266117558 /nfs/dbraw/zinc/11/75/58/1266117558.db2.gz BFEHQOSDEXAVHQ-IRXDYDNUSA-N 2 0 360.458 0.426 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083779689 1257521718 /nfs/dbraw/zinc/52/17/18/1257521718.db2.gz OQUCYGOHDCXINW-LZQZEXGQSA-N 2 0 361.486 0.883 20 0 FCADRP O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482813 1266126091 /nfs/dbraw/zinc/12/60/91/1266126091.db2.gz VPLYDWCTLJCFLX-GOEBONIOSA-N 2 0 350.463 0.645 20 0 FCADRP O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482814 1266126181 /nfs/dbraw/zinc/12/61/81/1266126181.db2.gz VPLYDWCTLJCFLX-HOCLYGCPSA-N 2 0 350.463 0.645 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC001521482241 1266126233 /nfs/dbraw/zinc/12/62/33/1266126233.db2.gz JCYXCRHBTRFZCH-UYAOXDASSA-N 2 0 361.486 0.551 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959036 1257749095 /nfs/dbraw/zinc/74/90/95/1257749095.db2.gz CADXNMVNPSHKKK-MSOLQXFVSA-N 2 0 354.454 0.925 20 0 FCADRP Cc1cc(C)cc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056787 1257868708 /nfs/dbraw/zinc/86/87/08/1257868708.db2.gz NRKLPDHDUMFTMG-QRQLOZEOSA-N 2 0 361.486 0.795 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409889 1258089136 /nfs/dbraw/zinc/08/91/36/1258089136.db2.gz NRBNUNRIIZEMMK-JFIYKMOQSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778239 1258319602 /nfs/dbraw/zinc/31/96/02/1258319602.db2.gz MVQLCFPSDWRWBF-BRWVUGGUSA-N 2 0 360.502 0.531 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)CC1 ZINC001084942434 1258456187 /nfs/dbraw/zinc/45/61/87/1258456187.db2.gz VVPUTCMZQYLBLY-YSHGAJCASA-N 2 0 365.518 0.648 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957608 1258469511 /nfs/dbraw/zinc/46/95/11/1258469511.db2.gz KEUHLDHIHUPROF-SQNIBIBYSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1)[NH+](C)C ZINC001084970478 1258483399 /nfs/dbraw/zinc/48/33/99/1258483399.db2.gz HMSSZKBURUFOSB-OAGGEKHMSA-N 2 0 364.490 0.398 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCC4)[C@H]3C2)CC[N@@H+]1C ZINC001085017544 1258522242 /nfs/dbraw/zinc/52/22/42/1258522242.db2.gz LAOOBSQTRQAPMT-MHORFTMASA-N 2 0 362.518 0.872 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092927 1258588386 /nfs/dbraw/zinc/58/83/86/1258588386.db2.gz WEQHNQBQCVQNAB-SQNIBIBYSA-N 2 0 360.506 0.769 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331343290 1266197591 /nfs/dbraw/zinc/19/75/91/1266197591.db2.gz DZYUTMAFAMCZGF-UAGQMJEPSA-N 2 0 363.506 0.513 20 0 FCADRP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cn1 ZINC001088172146 1258694145 /nfs/dbraw/zinc/69/41/45/1258694145.db2.gz YDTJUICBDQAQQB-MSOLQXFVSA-N 2 0 357.502 0.839 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088201692 1258723439 /nfs/dbraw/zinc/72/34/39/1258723439.db2.gz PPPIZQGREAAHAP-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658514 1258810425 /nfs/dbraw/zinc/81/04/25/1258810425.db2.gz XYVCWSIYKLOSGU-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828234 1258858700 /nfs/dbraw/zinc/85/87/00/1258858700.db2.gz KHPCPKDLZJPEPN-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092830003 1258859998 /nfs/dbraw/zinc/85/99/98/1258859998.db2.gz RBFNSVLQYUNNBH-GDBMZVCRSA-N 2 0 353.430 0.924 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105660849 1258922788 /nfs/dbraw/zinc/92/27/88/1258922788.db2.gz ZKTOKQOHQUVTLW-FTEYMNFISA-N 2 0 367.534 0.941 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001106594660 1258927461 /nfs/dbraw/zinc/92/74/61/1258927461.db2.gz ZYZPEAMNPORIQE-BFYDXBDKSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106594432 1258927616 /nfs/dbraw/zinc/92/76/16/1258927616.db2.gz RWEXMWJVEQOVJN-HZPDHXFCSA-N 2 0 367.538 0.720 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106662991 1258936348 /nfs/dbraw/zinc/93/63/48/1258936348.db2.gz MHOXXMTUVDZOAD-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106668984 1258938481 /nfs/dbraw/zinc/93/84/81/1258938481.db2.gz SMUFCIDRVWTRNT-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001106728557 1258948649 /nfs/dbraw/zinc/94/86/49/1258948649.db2.gz JKCUBTIBIAHWNX-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)C(C)C ZINC001106776388 1258961513 /nfs/dbraw/zinc/96/15/13/1258961513.db2.gz KFDNJKREKDEEAT-IIAWOOMASA-N 2 0 369.510 0.232 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808068 1258967931 /nfs/dbraw/zinc/96/79/31/1258967931.db2.gz JGPWBIUYYBLTIF-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106839459 1258974000 /nfs/dbraw/zinc/97/40/00/1258974000.db2.gz JGVOQZZRQJKHTR-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106840501 1258974698 /nfs/dbraw/zinc/97/46/98/1258974698.db2.gz QDPUYXCNXOKUOQ-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874565 1258984761 /nfs/dbraw/zinc/98/47/61/1258984761.db2.gz LAINUAFIENQEDQ-IXDOHACOSA-N 2 0 367.538 0.720 20 0 FCADRP CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106880420 1258986029 /nfs/dbraw/zinc/98/60/29/1258986029.db2.gz JCRHGKINJTWREJ-RBSFLKMASA-N 2 0 366.510 0.690 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)NC(C)(C)C ZINC001106881594 1258987884 /nfs/dbraw/zinc/98/78/84/1258987884.db2.gz GENRKCMCBNNFIX-BZUAXINKSA-N 2 0 370.538 0.552 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106885188 1258988334 /nfs/dbraw/zinc/98/83/34/1258988334.db2.gz WEPPBYPRLSDRJH-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106905949 1258993309 /nfs/dbraw/zinc/99/33/09/1258993309.db2.gz PCUVKWZSBMQLHJ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001106898695 1258993675 /nfs/dbraw/zinc/99/36/75/1258993675.db2.gz NOMRPHTWMRUEBX-HUUCEWRRSA-N 2 0 363.510 0.924 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106910488 1258994017 /nfs/dbraw/zinc/99/40/17/1258994017.db2.gz ACOSRIDBCOJXPO-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106910926 1258994184 /nfs/dbraw/zinc/99/41/84/1258994184.db2.gz VTVNHRUPRYZSFZ-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106910934 1258994276 /nfs/dbraw/zinc/99/42/76/1258994276.db2.gz WERSCTRGNKNXKI-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984518 1259011755 /nfs/dbraw/zinc/01/17/55/1259011755.db2.gz RNSPTKYXQMQEKJ-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986094 1259011771 /nfs/dbraw/zinc/01/17/71/1259011771.db2.gz FDPXHLMEHRICKU-BRWVUGGUSA-N 2 0 368.522 0.163 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984577 1259012125 /nfs/dbraw/zinc/01/21/25/1259012125.db2.gz UQDNAMOYKWPACQ-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107449458 1259092980 /nfs/dbraw/zinc/09/29/80/1259092980.db2.gz JWYFQUMEHYCOKK-HBUWYVDXSA-N 2 0 365.478 0.026 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485218 1259102580 /nfs/dbraw/zinc/10/25/80/1259102580.db2.gz PJGIFPSQXPDQGV-IMFGXOCKSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107546981 1259112337 /nfs/dbraw/zinc/11/23/37/1259112337.db2.gz WACRMKSQTFSJEV-MBOZVWFJSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1cncc1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107622581 1259135625 /nfs/dbraw/zinc/13/56/25/1259135625.db2.gz MADOFDSDAGLEGM-IEBWSBKVSA-N 2 0 364.490 0.722 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570766 1259180387 /nfs/dbraw/zinc/18/03/87/1259180387.db2.gz FDIQJFAJABWKCE-OIISXLGYSA-N 2 0 368.522 0.354 20 0 FCADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570981 1259180612 /nfs/dbraw/zinc/18/06/12/1259180612.db2.gz IVQFGAYWSAZPEV-ZACQAIPSSA-N 2 0 366.506 0.060 20 0 FCADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571152 1259181197 /nfs/dbraw/zinc/18/11/97/1259181197.db2.gz MLDRXOFTZBHDLN-MSOLQXFVSA-N 2 0 363.506 0.415 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660330 1259184650 /nfs/dbraw/zinc/18/46/50/1259184650.db2.gz VXYOZSBNTKWVLU-UMVBOHGHSA-N 2 0 364.494 0.410 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccnn2C(C)C)CC[N@@H+]1C ZINC001127706152 1259184738 /nfs/dbraw/zinc/18/47/38/1259184738.db2.gz IWFSPIHCERMARJ-LSDHHAIUSA-N 2 0 364.494 0.839 20 0 FCADRP C[C@@H](O)CCCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC001128350867 1259195828 /nfs/dbraw/zinc/19/58/28/1259195828.db2.gz KTGDLSNUSYKGGQ-BFYDXBDKSA-N 2 0 363.506 0.816 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001129089221 1259308420 /nfs/dbraw/zinc/30/84/20/1259308420.db2.gz GNHGCMLZLRQXMX-CVEARBPZSA-N 2 0 362.478 0.285 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276190 1259360988 /nfs/dbraw/zinc/36/09/88/1259360988.db2.gz AGZYXVBXPXVAFP-OAGGEKHMSA-N 2 0 366.510 0.632 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267085 1259361900 /nfs/dbraw/zinc/36/19/00/1259361900.db2.gz WSCYYNZWRCFWDC-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)C[C@H]1O ZINC001160654772 1259385922 /nfs/dbraw/zinc/38/59/22/1259385922.db2.gz BGZLHKDLKDJYGN-ZTFGCOKTSA-N 2 0 357.458 0.035 20 0 FCADRP Cc1c[nH+]ccc1N1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180610998 1259395732 /nfs/dbraw/zinc/39/57/32/1259395732.db2.gz QYQSUBFZJSHFEH-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401787 1259490675 /nfs/dbraw/zinc/49/06/75/1259490675.db2.gz YZBHECHCHKAJLE-KZNAEPCWSA-N 2 0 371.522 0.443 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212406227 1259492587 /nfs/dbraw/zinc/49/25/87/1259492587.db2.gz LXJWOHIPFOHOMO-NUJGCVRESA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430357 1259503132 /nfs/dbraw/zinc/50/31/32/1259503132.db2.gz KOZLKILRZLFOFL-KZNAEPCWSA-N 2 0 363.506 0.652 20 0 FCADRP CCOC(=O)[C@@]12C[N@H+](Cc3cnc4n3CC[NH2+]CC4)C[C@@H]1CC[NH2+]CC2 ZINC001235350772 1259570388 /nfs/dbraw/zinc/57/03/88/1259570388.db2.gz YSQMTTLJURBMIP-KXBFYZLASA-N 3 0 361.490 0.394 20 0 FCADRP O=C1NCC[C@@]12C[N@@H+](Cc1cccnc1)CC21CC[NH+](CCCO)CC1 ZINC001235488269 1259573530 /nfs/dbraw/zinc/57/35/30/1259573530.db2.gz BEXOCZLMSJCSQH-HXUWFJFHSA-N 2 0 358.486 0.868 20 0 FCADRP CN(C)C(=O)N1CC2(CC[NH+](CCCC[NH3+])CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001235521835 1259574015 /nfs/dbraw/zinc/57/40/15/1259574015.db2.gz WUTUSOASAKEWSW-IBGZPJMESA-N 2 0 365.522 0.653 20 0 FCADRP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235614079 1259579938 /nfs/dbraw/zinc/57/99/38/1259579938.db2.gz CEBOPVGQMBBJIX-WBVHZDCISA-N 2 0 362.522 0.732 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c(OC)ncnc3OC)C[C@H]1C2 ZINC001236026121 1259586588 /nfs/dbraw/zinc/58/65/88/1259586588.db2.gz BFSUOMFIEFRJGR-YVVSIOMPSA-N 2 0 362.430 0.324 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3ncccc3C(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC001235968489 1259587030 /nfs/dbraw/zinc/58/70/30/1259587030.db2.gz VRWZGSGHVFJZMJ-UHFFFAOYSA-N 2 0 366.469 0.941 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccccc3OCCO)C[C@H]1C2 ZINC001236035195 1259587753 /nfs/dbraw/zinc/58/77/53/1259587753.db2.gz ADMJINCMFNRJMJ-YZLZLFLDSA-N 2 0 360.454 0.888 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccccc1N1CCOCC1 ZINC001236309877 1259588445 /nfs/dbraw/zinc/58/84/45/1259588445.db2.gz RMGFCNOPDYETEK-UHFFFAOYSA-N 2 0 363.506 0.139 20 0 FCADRP COc1cc(OC)c(OC)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309608 1259589251 /nfs/dbraw/zinc/58/92/51/1259589251.db2.gz NPRCNMIFARMCPQ-UHFFFAOYSA-N 2 0 368.478 0.328 20 0 FCADRP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236894691 1259593840 /nfs/dbraw/zinc/59/38/40/1259593840.db2.gz SQLDDORSOFJHSZ-SFHVURJKSA-N 2 0 374.485 0.692 20 0 FCADRP O=C(c1ccc(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)cc1)N1CC[NH2+]CC1 ZINC001240127211 1259625541 /nfs/dbraw/zinc/62/55/41/1259625541.db2.gz LQTMSKMDXNEOSG-KRWDZBQOSA-N 2 0 353.426 0.930 20 0 FCADRP O=C(c1cccnc1-c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC001242394697 1259636393 /nfs/dbraw/zinc/63/63/93/1259636393.db2.gz STQHLQNZSSZXNU-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP O[C@@H](CNc1ccc(OCC2CC[NH2+]CC2)nc1)CC1(O)CC[NH2+]CC1 ZINC001245959333 1259641734 /nfs/dbraw/zinc/64/17/34/1259641734.db2.gz SUXLGMJNGFBZTI-QGZVFWFLSA-N 2 0 364.490 0.737 20 0 FCADRP OCCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001245986705 1259643960 /nfs/dbraw/zinc/64/39/60/1259643960.db2.gz PYHFQHSXJBIDPK-ROUUACIJSA-N 2 0 363.502 0.425 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997791 1259644605 /nfs/dbraw/zinc/64/46/05/1259644605.db2.gz VVAQVCBSAZVJMG-OKZBNKHCSA-N 3 0 369.456 0.944 20 0 FCADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CC[NH2+]1 ZINC001246157490 1259650257 /nfs/dbraw/zinc/65/02/57/1259650257.db2.gz OUTYXILFMWQTPT-NZSAHSFTSA-N 2 0 374.529 0.768 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC2=O)cc1 ZINC001246419451 1259651712 /nfs/dbraw/zinc/65/17/12/1259651712.db2.gz VSPGJMUZCRSFBQ-RDJZCZTQSA-N 2 0 362.474 0.759 20 0 FCADRP COc1cccc(C(=O)N2CCC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246352913 1259652386 /nfs/dbraw/zinc/65/23/86/1259652386.db2.gz BOWHVIGPZUMACO-KRWDZBQOSA-N 2 0 358.486 0.983 20 0 FCADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCCC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246516744 1259655510 /nfs/dbraw/zinc/65/55/10/1259655510.db2.gz ZJWSISRDSRVJEN-GJZGRUSLSA-N 2 0 368.526 0.427 20 0 FCADRP O=C1NCC[C@]12CN([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631940 1259657926 /nfs/dbraw/zinc/65/79/26/1259657926.db2.gz YBADMZLZZGRRCO-WFXMLNOXSA-N 2 0 354.498 0.761 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246665083 1259658797 /nfs/dbraw/zinc/65/87/97/1259658797.db2.gz AOGDVXPKGNGAQY-MSWPAXRKSA-N 2 0 365.474 0.001 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680345 1259659062 /nfs/dbraw/zinc/65/90/62/1259659062.db2.gz VVDCILSAQCHQHO-POVLGGSNSA-N 2 0 365.474 0.001 20 0 FCADRP O=C1N(Cc2cccnc2)CCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246690337 1259659249 /nfs/dbraw/zinc/65/92/49/1259659249.db2.gz CBJUIBLVEZDYMH-SFHVURJKSA-N 2 0 369.513 0.990 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246692921 1259661733 /nfs/dbraw/zinc/66/17/33/1259661733.db2.gz XAMQZEZNCCATHA-CYBMUJFWSA-N 2 0 355.446 0.211 20 0 FCADRP O=C([C@@H]1CO[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1)N1CCCC1 ZINC001246694224 1259661808 /nfs/dbraw/zinc/66/18/08/1259661808.db2.gz MUNAWEPGWYJIRC-WNRNVDISSA-N 2 0 362.518 0.430 20 0 FCADRP Cn1ncc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2COc1cccnc1 ZINC001246696265 1259662314 /nfs/dbraw/zinc/66/23/14/1259662314.db2.gz QYKFFRFVHZHURK-HZPDHXFCSA-N 2 0 368.485 0.887 20 0 FCADRP O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711068 1259665192 /nfs/dbraw/zinc/66/51/92/1259665192.db2.gz YZCCVLXFNAJOIW-XAUMDUMWSA-N 2 0 374.485 0.471 20 0 FCADRP C[C@@H]1C[C@@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246712645 1259666175 /nfs/dbraw/zinc/66/61/75/1259666175.db2.gz XMUNXJWQDFLGMX-SOLBZPMBSA-N 2 0 362.522 0.967 20 0 FCADRP CC(C)CN1CCN(C)C2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1=O ZINC001246715374 1259668265 /nfs/dbraw/zinc/66/82/65/1259668265.db2.gz QQJNRUVSSQIPBZ-KRWDZBQOSA-N 2 0 363.550 0.345 20 0 FCADRP O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246718759 1259669172 /nfs/dbraw/zinc/66/91/72/1259669172.db2.gz ZLWAQPLKZHDANE-ATLSCFEFSA-N 2 0 374.485 0.184 20 0 FCADRP CCN1CCn2c(C)cnc2C12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246727358 1259670120 /nfs/dbraw/zinc/67/01/20/1259670120.db2.gz PSQARHAWNSVYPR-QGZVFWFLSA-N 2 0 358.534 0.912 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724023 1259670657 /nfs/dbraw/zinc/67/06/57/1259670657.db2.gz WIZISKPXLUYQJX-KRWDZBQOSA-N 3 0 374.533 0.383 20 0 FCADRP c1cncc(CO[C@@H]2C[C@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)c1 ZINC001246735561 1259672139 /nfs/dbraw/zinc/67/21/39/1259672139.db2.gz UPIMBCFDTJZWJY-GBESFXJTSA-N 2 0 357.502 0.451 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21)N1CCOCC1 ZINC001246738940 1259675177 /nfs/dbraw/zinc/67/51/77/1259675177.db2.gz HURLNVIMHAXAOE-AQTIYHOBSA-N 2 0 363.502 0.713 20 0 FCADRP CC(C)C(=O)N[C@H]1COCCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246742757 1259675492 /nfs/dbraw/zinc/67/54/92/1259675492.db2.gz DOWGSACAOULYFZ-IRXDYDNUSA-N 2 0 364.534 0.724 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743853 1259676592 /nfs/dbraw/zinc/67/65/92/1259676592.db2.gz BNGWSUQNVHYMKM-HKUYNNGSSA-N 2 0 355.486 0.600 20 0 FCADRP O=C(NC1CCC1)[C@H]1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246747359 1259677573 /nfs/dbraw/zinc/67/75/73/1259677573.db2.gz WACMDBOSIJVQML-WBVHZDCISA-N 2 0 362.518 0.620 20 0 FCADRP c1ccc(COC[C@]23COC[C@H]2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246757793 1259681265 /nfs/dbraw/zinc/68/12/65/1259681265.db2.gz RTASKKHNPCXJDK-NEWSRXKRSA-N 2 0 358.486 0.641 20 0 FCADRP O=C(N[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246754958 1259682418 /nfs/dbraw/zinc/68/24/18/1259682418.db2.gz HELSZAKQCCNQKM-XSLAGTTESA-N 2 0 371.485 0.137 20 0 FCADRP O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756622 1259682733 /nfs/dbraw/zinc/68/27/33/1259682733.db2.gz VUQAABTVRSXUED-JENIJYKNSA-N 2 0 355.486 0.504 20 0 FCADRP O=C1[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246755200 1259682925 /nfs/dbraw/zinc/68/29/25/1259682925.db2.gz HMXHVMGDMDEYNC-JQHSSLGASA-N 2 0 358.461 0.810 20 0 FCADRP c1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1ccccn1)C2 ZINC001246763388 1259683302 /nfs/dbraw/zinc/68/33/02/1259683302.db2.gz BWEGRHNYBQFKIJ-IRXDYDNUSA-N 2 0 368.485 0.883 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765220 1259683764 /nfs/dbraw/zinc/68/37/64/1259683764.db2.gz INISOKNCESDHCA-RNGZQALNSA-N 2 0 359.474 0.684 20 0 FCADRP Cn1cc(C(=O)N[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001246768605 1259686704 /nfs/dbraw/zinc/68/67/04/1259686704.db2.gz GVTGUUOVEVFYRT-DXMBWKHVSA-N 2 0 359.474 0.665 20 0 FCADRP c1ccc(N([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001246767361 1259687289 /nfs/dbraw/zinc/68/72/89/1259687289.db2.gz NYOCKGRVMQDBPF-FAJBIJEISA-N 2 0 357.502 0.749 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856590 1259692097 /nfs/dbraw/zinc/69/20/97/1259692097.db2.gz FGAGNSZCPLKIJY-ODWBRZHOSA-N 2 0 365.474 0.001 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856593 1259692546 /nfs/dbraw/zinc/69/25/46/1259692546.db2.gz FGAGNSZCPLKIJY-POVLGGSNSA-N 2 0 365.474 0.001 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859488 1259693044 /nfs/dbraw/zinc/69/30/44/1259693044.db2.gz PEAZRFJVZDIBPP-TVRAHDOYSA-N 2 0 366.458 0.428 20 0 FCADRP COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920237 1259694416 /nfs/dbraw/zinc/69/44/16/1259694416.db2.gz DHOPMUSNGHSISE-RTBURBONSA-N 2 0 372.513 0.830 20 0 FCADRP CC[C@H](Cc1ccc2c(c1)OCO2)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246924340 1259694570 /nfs/dbraw/zinc/69/45/70/1259694570.db2.gz IAWGCWZBMLOJFU-MRXNPFEDSA-N 2 0 364.490 0.852 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCN(c2ccc(F)cc2)CC1 ZINC001246918890 1259695277 /nfs/dbraw/zinc/69/52/77/1259695277.db2.gz HBWAMPJUWITIAT-UHFFFAOYSA-N 2 0 365.497 0.910 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@@H]4C[NH2+]CC45C[NH2+]C5)n3)c2)CC1 ZINC001247832147 1259705442 /nfs/dbraw/zinc/70/54/42/1259705442.db2.gz VYTJFBMZGHGOCC-INIZCTEOSA-N 3 0 354.458 0.765 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)c2)CC1 ZINC001247846020 1259706575 /nfs/dbraw/zinc/70/65/75/1259706575.db2.gz YXMASIAJEKVYLU-KXBFYZLASA-N 2 0 355.442 0.976 20 0 FCADRP NC(=O)C1CC[NH+](CCc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC1 ZINC001248132453 1259708560 /nfs/dbraw/zinc/70/85/60/1259708560.db2.gz INGZHKQWKXTEEZ-UHFFFAOYSA-N 2 0 356.430 0.517 20 0 FCADRP C[C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1CC[NH3+] ZINC001335554155 1259713107 /nfs/dbraw/zinc/71/31/07/1259713107.db2.gz MWWSSLJDULDQQA-HZSPNIEDSA-N 2 0 365.444 0.981 20 0 FCADRP Cc1nnc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC001335554822 1259713437 /nfs/dbraw/zinc/71/34/37/1259713437.db2.gz AFCNNBXWKXTQFS-OKILXGFUSA-N 2 0 350.492 0.957 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335566839 1259720551 /nfs/dbraw/zinc/72/05/51/1259720551.db2.gz ARWBMXPLAGIVCO-RTYCURFASA-N 3 0 361.534 0.985 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C[C@@H]([NH3+])CC(N)=O)n3)c2)CC1 ZINC001249345002 1259722200 /nfs/dbraw/zinc/72/22/00/1259722200.db2.gz DDQGKXXIGPZRFQ-HNNXBMFYSA-N 2 0 358.446 0.229 20 0 FCADRP COCC1(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC[NH2+]CC1 ZINC001335594957 1259733311 /nfs/dbraw/zinc/73/33/11/1259733311.db2.gz DCZKALBGESXEGH-LSDHHAIUSA-N 2 0 356.536 0.882 20 0 FCADRP CC(C)[NH+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253161961 1259823790 /nfs/dbraw/zinc/82/37/90/1259823790.db2.gz GCFAKCYJKCQETE-IBGZPJMESA-N 2 0 365.518 0.577 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C[C@H](O)C[NH2+]C(C)(C)C)CC3)CC1 ZINC001253389762 1259838284 /nfs/dbraw/zinc/83/82/84/1259838284.db2.gz DFOPXFQEDOATHD-QGZVFWFLSA-N 2 0 364.538 0.195 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CNC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001253408826 1259840164 /nfs/dbraw/zinc/84/01/64/1259840164.db2.gz ZTMPWPACHJSOPB-QGZVFWFLSA-N 2 0 362.518 0.845 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC(=O)C[C@@H]4C3)CC[C@@H]2C1 ZINC001254948112 1259901447 /nfs/dbraw/zinc/90/14/47/1259901447.db2.gz JTMSCFFFTQNLIC-PASDCYSWSA-N 2 0 363.502 0.855 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 ZINC001335927267 1259906942 /nfs/dbraw/zinc/90/69/42/1259906942.db2.gz JEDGEBMVCGHQFD-UHFFFAOYSA-N 2 0 373.461 0.998 20 0 FCADRP Cn1nnc2c1CCN(C1CC[NH+](C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001256203635 1259936618 /nfs/dbraw/zinc/93/66/18/1259936618.db2.gz JVOIKOCZFMXPEY-SFHVURJKSA-N 2 0 362.522 0.921 20 0 FCADRP C[NH+]1CCC([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC1 ZINC001256208089 1259938187 /nfs/dbraw/zinc/93/81/87/1259938187.db2.gz WJCAQWXQOCBORC-QILLFSRXSA-N 2 0 359.474 0.638 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862312 1259976011 /nfs/dbraw/zinc/97/60/11/1259976011.db2.gz CDKBGQGIZLRELZ-MOPGFXCFSA-N 2 0 372.513 0.972 20 0 FCADRP Cc1cn(CC(=O)NCC[NH2+]C2CC[NH+](CC(C)C)CC2)c(=O)[nH]c1=O ZINC001258005958 1260031597 /nfs/dbraw/zinc/03/15/97/1260031597.db2.gz YZNQOUQVKBVYRI-UHFFFAOYSA-N 2 0 365.478 0.084 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC001336291719 1260068143 /nfs/dbraw/zinc/06/81/43/1260068143.db2.gz YIMYWAAKFLAWBP-QAELIBMJSA-N 2 0 358.486 0.975 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1nccnc1C[NH3+] ZINC001336680733 1260201572 /nfs/dbraw/zinc/20/15/72/1260201572.db2.gz AYYYJXSSBIHDIK-UHFFFAOYSA-N 2 0 368.441 0.600 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891287 1260208958 /nfs/dbraw/zinc/20/89/58/1260208958.db2.gz DEYGZZQWRFXSQG-SUMWQHHRSA-N 2 0 372.469 0.655 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001261960575 1260231533 /nfs/dbraw/zinc/23/15/33/1260231533.db2.gz AQSPRQPYARPABE-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP COC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC001336869134 1260240816 /nfs/dbraw/zinc/24/08/16/1260240816.db2.gz XRLDQJXRVNVRSB-XMTFNYHQSA-N 2 0 366.506 0.791 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001262065163 1260254937 /nfs/dbraw/zinc/25/49/37/1260254937.db2.gz SNEIUUGYNHGVHQ-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974512 1260272979 /nfs/dbraw/zinc/27/29/79/1260272979.db2.gz YUUUJLUBYPDQKW-PXNSSMCTSA-N 2 0 373.501 0.965 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978860 1260273968 /nfs/dbraw/zinc/27/39/68/1260273968.db2.gz XKYAQZKRSBLUPQ-OAGGEKHMSA-N 2 0 359.536 0.861 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC001336996831 1260278437 /nfs/dbraw/zinc/27/84/37/1260278437.db2.gz ACPDPYSKXIWEFX-GOSISDBHSA-N 2 0 364.490 0.612 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001337070358 1260299323 /nfs/dbraw/zinc/29/93/23/1260299323.db2.gz NXIHHRNMRDETEN-UHFFFAOYSA-N 2 0 351.495 0.452 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC001337456995 1260406062 /nfs/dbraw/zinc/40/60/62/1260406062.db2.gz WZCZMRJQYPZMQQ-ZVZYQTTQSA-N 2 0 374.485 0.802 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272641916 1260470611 /nfs/dbraw/zinc/47/06/11/1260470611.db2.gz BFUNHIBHOSVYKI-IBGZPJMESA-N 2 0 366.506 0.648 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272832767 1260513127 /nfs/dbraw/zinc/51/31/27/1260513127.db2.gz YVUMMAGQTFRZJL-YLJYHZDGSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001337953714 1260524436 /nfs/dbraw/zinc/52/44/36/1260524436.db2.gz OQNAGFNVBKQPDS-IBGZPJMESA-N 2 0 361.490 0.304 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3OCCN(CCn4ccnc4)[C@H]3C2)C1 ZINC001273254811 1260637459 /nfs/dbraw/zinc/63/74/59/1260637459.db2.gz MEQILOLHAAQCPB-BZSNNMDCSA-N 2 0 361.490 0.527 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183988 1260686894 /nfs/dbraw/zinc/68/68/94/1260686894.db2.gz UWGHWHNNKNLLBI-VQTJNVASSA-N 2 0 366.550 0.973 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001278472011 1260696038 /nfs/dbraw/zinc/69/60/38/1260696038.db2.gz ZGEKWHWBOOZBMR-DLBZAZTESA-N 2 0 360.502 0.674 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001278768778 1260728866 /nfs/dbraw/zinc/72/88/66/1260728866.db2.gz GMVWOZJSQYPRDC-UHFFFAOYSA-N 2 0 358.486 0.984 20 0 FCADRP COC(=O)c1cnc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)cn1 ZINC001278827702 1260739515 /nfs/dbraw/zinc/73/95/15/1260739515.db2.gz NYXQLLOKSJHSLN-IYBDPMFKSA-N 2 0 361.490 0.969 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccn4)CC3)[C@@H]2C1 ZINC001279172343 1260796890 /nfs/dbraw/zinc/79/68/90/1260796890.db2.gz ATOPGVDHQVDJFC-QZTJIDSGSA-N 2 0 357.502 0.656 20 0 FCADRP C[NH+](C)CCN1CCC[C@@]2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)CCO2 ZINC001279481061 1260877496 /nfs/dbraw/zinc/87/74/96/1260877496.db2.gz HPECQHIHGZLRDO-UYAOXDASSA-N 2 0 364.534 0.726 20 0 FCADRP Cc1nc2ccccn2c(=O)c1CC[N@H+]1C[C@H]2C[C@@H](C1)N2CC[NH+](C)C ZINC001279483362 1260877759 /nfs/dbraw/zinc/87/77/59/1260877759.db2.gz CKQHBAJVFHQVTN-CALCHBBNSA-N 2 0 355.486 0.866 20 0 FCADRP CC/C=C\CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001279520975 1260882910 /nfs/dbraw/zinc/88/29/10/1260882910.db2.gz JLKIDIIKDZFRDN-MBZYTVFJSA-N 2 0 362.518 0.943 20 0 FCADRP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@H]21 ZINC001279619395 1260902186 /nfs/dbraw/zinc/90/21/86/1260902186.db2.gz AJPJJCYCMYHGHH-CVEARBPZSA-N 2 0 362.478 0.072 20 0 FCADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279918 1266369236 /nfs/dbraw/zinc/36/92/36/1266369236.db2.gz LMTFHFOJXXKILJ-ZWKOTPCHSA-N 2 0 369.469 0.650 20 0 FCADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279915 1266370455 /nfs/dbraw/zinc/37/04/55/1266370455.db2.gz LMTFHFOJXXKILJ-MSOLQXFVSA-N 2 0 369.469 0.650 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001332286635 1266371360 /nfs/dbraw/zinc/37/13/60/1266371360.db2.gz BKPAKTOSVOBEJD-CALCHBBNSA-N 2 0 373.501 0.168 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@H+](C[C@H]2CCC(=O)N2)C3)CC1 ZINC001279900673 1260956567 /nfs/dbraw/zinc/95/65/67/1260956567.db2.gz UWALNMRIASGWAF-FUHIMQAGSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@H+](Cc4cn[nH]c4)C[C@@H]3O2)CC1 ZINC001279919283 1260962724 /nfs/dbraw/zinc/96/27/24/1260962724.db2.gz PQOFXLXAKLXBCO-NJAFHUGGSA-N 2 0 361.490 0.942 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279930684 1260969444 /nfs/dbraw/zinc/96/94/44/1260969444.db2.gz ZAULELGTNYPPNQ-KZULUSFZSA-N 2 0 361.446 0.229 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cncnc2)C3)cn1 ZINC001279972080 1260976245 /nfs/dbraw/zinc/97/62/45/1260976245.db2.gz MCZRXLFVFWVZTR-CRAIPNDOSA-N 2 0 355.446 0.695 20 0 FCADRP O=C(C[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1)NC1CC1 ZINC001280071783 1260990337 /nfs/dbraw/zinc/99/03/37/1260990337.db2.gz XZHIFDJZMUWECJ-QGZVFWFLSA-N 2 0 360.502 0.674 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CCCOCOC)C[C@H]12 ZINC001280090404 1260997279 /nfs/dbraw/zinc/99/72/79/1260997279.db2.gz SAQFPDJCJSJTKE-JKSUJKDBSA-N 2 0 370.494 0.484 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332331071 1266377361 /nfs/dbraw/zinc/37/73/61/1266377361.db2.gz HRUOAYTYGAFLQP-OKILXGFUSA-N 2 0 368.428 0.709 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280140499 1261014045 /nfs/dbraw/zinc/01/40/45/1261014045.db2.gz KSWAFDPWZDWHAK-QFBILLFUSA-N 2 0 358.490 0.817 20 0 FCADRP Cc1nc(CNC(=O)c2cc3c([nH]2)C[N@H+](CC2CC[NH2+]CC2)CC3)no1 ZINC001280138488 1261014695 /nfs/dbraw/zinc/01/46/95/1261014695.db2.gz ZHINVKYIMNZSSM-UHFFFAOYSA-N 2 0 358.446 0.994 20 0 FCADRP Cc1cc(C[N@H+]2C[C@H]3C(=O)NC4(CC[NH+](C[C@@H](C)O)CC4)[C@@H]3C2)n(C)n1 ZINC001280188738 1261026462 /nfs/dbraw/zinc/02/64/62/1261026462.db2.gz JODHDCRLHCSQLS-DJIMGWMZSA-N 2 0 361.490 0.122 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCC[C@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201384 1261030488 /nfs/dbraw/zinc/03/04/88/1261030488.db2.gz PTFSCXONTHIBQC-XKGZKEIXSA-N 2 0 365.518 0.793 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001280211606 1261034307 /nfs/dbraw/zinc/03/43/07/1261034307.db2.gz YGJNPNRSLPCBSI-QDMKHBRRSA-N 2 0 361.494 0.839 20 0 FCADRP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)CC1 ZINC001280210728 1261034613 /nfs/dbraw/zinc/03/46/13/1261034613.db2.gz HCELEFCTSBKDDI-QGZVFWFLSA-N 2 0 365.518 0.819 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCn2nccc2CN1CC[NH+](C)C ZINC001280222133 1261039282 /nfs/dbraw/zinc/03/92/82/1261039282.db2.gz ZJAADEXYUWHAKL-GOSISDBHSA-N 2 0 364.538 0.819 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3nnnn3C)CC2)CC1 ZINC001280248264 1261041824 /nfs/dbraw/zinc/04/18/24/1261041824.db2.gz HNWGMBOQRMCBAZ-OAHLLOKOSA-N 2 0 361.494 0.983 20 0 FCADRP C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001280259528 1261043141 /nfs/dbraw/zinc/04/31/41/1261043141.db2.gz PYAQGOISUWMNNS-AWEZNQCLSA-N 2 0 360.506 0.891 20 0 FCADRP Cn1cncc1C[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001280289463 1261047788 /nfs/dbraw/zinc/04/77/88/1261047788.db2.gz DVGSRBHRBUIPSP-UHFFFAOYSA-N 2 0 357.462 0.829 20 0 FCADRP [NH3+]Cc1cccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC001580342854 1278139885 /nfs/dbraw/zinc/13/98/85/1278139885.db2.gz LJZRHDLMFBOZSZ-UHFFFAOYSA-N 2 0 354.458 0.764 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001580345162 1278142768 /nfs/dbraw/zinc/14/27/68/1278142768.db2.gz GBTFZINLUGHOES-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)NCC[N@H+]3CC=CCC3)c2)nn1 ZINC001580348958 1278147720 /nfs/dbraw/zinc/14/77/20/1278147720.db2.gz BZODERAETIKFMV-UHFFFAOYSA-N 2 0 355.446 0.787 20 0 FCADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001295547264 1262769635 /nfs/dbraw/zinc/76/96/35/1262769635.db2.gz DESBVMPJWYCDLJ-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001476679263 1263070102 /nfs/dbraw/zinc/07/01/02/1263070102.db2.gz FZROGIUOTPDPQT-HZPDHXFCSA-N 2 0 364.494 0.944 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001479669757 1263328231 /nfs/dbraw/zinc/32/82/31/1263328231.db2.gz KWMHYVUKIQWYCM-ZACQAIPSSA-N 2 0 371.547 0.543 20 0 FCADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc2c[nH+]cn21 ZINC001319989435 1263751405 /nfs/dbraw/zinc/75/14/05/1263751405.db2.gz FCRTUTZWTFCBEK-INIZCTEOSA-N 2 0 357.458 0.779 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320934397 1263884492 /nfs/dbraw/zinc/88/44/92/1263884492.db2.gz CDRBYUNSJHFECJ-QGZVFWFLSA-N 2 0 368.441 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001497148136 1263918370 /nfs/dbraw/zinc/91/83/70/1263918370.db2.gz ATEDIPCQWXBNJT-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)n2)CC1 ZINC001321360954 1263945079 /nfs/dbraw/zinc/94/50/79/1263945079.db2.gz TUBFXTZISHJWSC-UHFFFAOYSA-N 2 0 374.489 0.831 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1nnc2n1CCOC2 ZINC001321838169 1264076977 /nfs/dbraw/zinc/07/69/77/1264076977.db2.gz JFXKMCBUZCQIRP-UHFFFAOYSA-N 2 0 367.498 0.223 20 0 FCADRP CCOCc1nnc(N2CC[NH+](CC)[C@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503112644 1264194465 /nfs/dbraw/zinc/19/44/65/1264194465.db2.gz IXLJJEKCBFBZPQ-CRAIPNDOSA-N 2 0 366.510 0.412 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001506958653 1264347654 /nfs/dbraw/zinc/34/76/54/1264347654.db2.gz WPICZWTVQWSHJD-BPQIPLTHSA-N 2 0 363.506 0.507 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506957906 1264348626 /nfs/dbraw/zinc/34/86/26/1264348626.db2.gz FKUBURXHIRZLCL-CKEIUWERSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3ccccc3)CC2)CC[N@@H+]1C ZINC001323445018 1264430586 /nfs/dbraw/zinc/43/05/86/1264430586.db2.gz VUSXTZGXYRNCQF-NVXWUHKLSA-N 2 0 358.486 0.881 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001324269369 1264608075 /nfs/dbraw/zinc/60/80/75/1264608075.db2.gz ZRJHGXGKFVWBLF-WBVHZDCISA-N 2 0 368.522 0.402 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001324268098 1264608156 /nfs/dbraw/zinc/60/81/56/1264608156.db2.gz NAQBAXNZDYHLHO-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001512351022 1264619861 /nfs/dbraw/zinc/61/98/61/1264619861.db2.gz BMPYWTDDKGPOMV-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001512846126 1264690429 /nfs/dbraw/zinc/69/04/29/1264690429.db2.gz JGTVFZKLZSXZGI-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001325083204 1264770779 /nfs/dbraw/zinc/77/07/79/1264770779.db2.gz KLYQXRKMNGQGFF-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001325307011 1264843034 /nfs/dbraw/zinc/84/30/34/1264843034.db2.gz JANALRYNZVBLMT-ZWKOTPCHSA-N 2 0 360.502 0.686 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070283 1264912296 /nfs/dbraw/zinc/91/22/96/1264912296.db2.gz SMIFHAQYSASICZ-OWCLPIDISA-N 2 0 368.522 0.137 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001325728921 1264981641 /nfs/dbraw/zinc/98/16/41/1264981641.db2.gz KNQYDTBMRFEQNA-OAHLLOKOSA-N 2 0 361.490 0.169 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001325829781 1265005459 /nfs/dbraw/zinc/00/54/59/1265005459.db2.gz GEGDPUWZFWFNAF-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326048244 1265052106 /nfs/dbraw/zinc/05/21/06/1265052106.db2.gz XGULMILWHPDSSM-ZMSDIMECSA-N 2 0 362.478 0.561 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001513386774 1265082967 /nfs/dbraw/zinc/08/29/67/1265082967.db2.gz UPFCBRWFDUQBEH-OWCLPIDISA-N 2 0 366.506 0.297 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580406624 1278244740 /nfs/dbraw/zinc/24/47/40/1278244740.db2.gz QVBBAVPGSHKHOV-YPMHNXCESA-N 2 0 361.425 0.552 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)o1 ZINC001326927205 1265200621 /nfs/dbraw/zinc/20/06/21/1265200621.db2.gz SFUSOSIQYZLQPA-MRXNPFEDSA-N 2 0 364.490 0.888 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC001327024726 1265219106 /nfs/dbraw/zinc/21/91/06/1265219106.db2.gz UIAODSFFHRWXEH-INIZCTEOSA-N 2 0 362.474 0.497 20 0 FCADRP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575028 1266636155 /nfs/dbraw/zinc/63/61/55/1266636155.db2.gz RBDDXEWBODYEDN-BZUAXINKSA-N 2 0 350.463 0.597 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC001333958583 1266757063 /nfs/dbraw/zinc/75/70/63/1266757063.db2.gz CGFNPEXWBGSYKF-ZWOKBUDYSA-N 2 0 358.486 0.868 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001334241264 1266905541 /nfs/dbraw/zinc/90/55/41/1266905541.db2.gz MCIDJMGBIIQRDU-KZNAEPCWSA-N 2 0 367.538 0.552 20 0 FCADRP CCCN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001529516955 1267063662 /nfs/dbraw/zinc/06/36/62/1267063662.db2.gz FPAJSJSBKNZPRA-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP c1cc(N2CC[NH2+]CC2)oc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC001334753456 1267161901 /nfs/dbraw/zinc/16/19/01/1267161901.db2.gz DDIMOTWMCPJAAS-UHFFFAOYSA-N 2 0 371.489 0.764 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001549496458 1267927520 /nfs/dbraw/zinc/92/75/20/1267927520.db2.gz PYSYFOQMCQRBMC-FHWLQOOXSA-N 2 0 365.518 0.791 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@H]2[NH3+])c1 ZINC001549738006 1267984179 /nfs/dbraw/zinc/98/41/79/1267984179.db2.gz PJQVIOMVYOLKMU-QWHCGFSZSA-N 2 0 360.487 0.911 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC001550005401 1268043733 /nfs/dbraw/zinc/04/37/33/1268043733.db2.gz SGTSRMUYVASCDD-FGTMMUONSA-N 2 0 374.533 0.865 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001550005051 1268045799 /nfs/dbraw/zinc/04/57/99/1268045799.db2.gz RILDLUUTCKDQPO-QYZOEREBSA-N 2 0 364.534 0.582 20 0 FCADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001550083542 1268070196 /nfs/dbraw/zinc/07/01/96/1268070196.db2.gz ZYPRQGWEGOBCDD-WDEREUQCSA-N 2 0 354.405 0.870 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC(CO[C@H]4CC[NH2+]C4)CC3)c21 ZINC001550090034 1268071874 /nfs/dbraw/zinc/07/18/74/1268071874.db2.gz CGCXGPOUIABCNZ-HOTGVXAUSA-N 2 0 361.490 0.950 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001550085494 1268072203 /nfs/dbraw/zinc/07/22/03/1268072203.db2.gz PHKMPFOHOBZDMN-MRXNPFEDSA-N 2 0 354.495 0.189 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[NH2+]C[C@@H]3C(F)(F)F)CC2)C1=O ZINC001550092404 1268073515 /nfs/dbraw/zinc/07/35/15/1268073515.db2.gz FLQOMTBDQXYONY-AVGNSLFASA-N 2 0 362.396 0.196 20 0 FCADRP COc1ccc([C@H]2CN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC001550107390 1268075129 /nfs/dbraw/zinc/07/51/29/1268075129.db2.gz CSYCAAHQWAEELI-QZTJIDSGSA-N 2 0 369.469 0.924 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C[C@@H]2[NH3+])cc1 ZINC001550110822 1268076691 /nfs/dbraw/zinc/07/66/91/1268076691.db2.gz YYPPWROPTBFNDC-XIRDDKMYSA-N 2 0 370.457 0.778 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001550117367 1268078605 /nfs/dbraw/zinc/07/86/05/1268078605.db2.gz ZCVHXLIIPCICRH-AEFFLSMTSA-N 2 0 355.486 0.886 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC001550200369 1268092109 /nfs/dbraw/zinc/09/21/09/1268092109.db2.gz DZOZUGRDVVYESF-NVXWUHKLSA-N 2 0 370.457 0.998 20 0 FCADRP C[C@H](CCC(=O)NC[C@@H]1CC[N@H+](C)C1)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC001338824621 1268101808 /nfs/dbraw/zinc/10/18/08/1268101808.db2.gz NPZIPIRLXHSUPZ-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001550315789 1268105220 /nfs/dbraw/zinc/10/52/20/1268105220.db2.gz AMQJFDHTQNCDAI-MSOLQXFVSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001550387375 1268109149 /nfs/dbraw/zinc/10/91/49/1268109149.db2.gz DGFBKMOGWHNQFV-KZNAEPCWSA-N 2 0 352.523 0.506 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)C2 ZINC001550485109 1268127855 /nfs/dbraw/zinc/12/78/55/1268127855.db2.gz QWOWSWKRHSYGBU-DWRORGKVSA-N 2 0 352.523 0.076 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@@H]2[NH3+])c1 ZINC001550742604 1268159212 /nfs/dbraw/zinc/15/92/12/1268159212.db2.gz ZNSOLTAXNXZLFT-SJORKVTESA-N 2 0 354.458 0.702 20 0 FCADRP C[N@@H+]1C[C@@]23CN(C(=O)NCc4cn([C@@H]5CC[NH2+]C5)nn4)C[C@]2(C1)CCCC3 ZINC001550743927 1268160207 /nfs/dbraw/zinc/16/02/07/1268160207.db2.gz BRRIUCCVCRJLAJ-QRQLOZEOSA-N 2 0 373.505 0.830 20 0 FCADRP C[N@@H+]1C[C@@]23CN(C(=O)NCc4cn([C@H]5CC[NH2+]C5)nn4)C[C@]2(C1)CCCC3 ZINC001550743933 1268160233 /nfs/dbraw/zinc/16/02/33/1268160233.db2.gz BRRIUCCVCRJLAJ-YTQUADARSA-N 2 0 373.505 0.830 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001550754133 1268162769 /nfs/dbraw/zinc/16/27/69/1268162769.db2.gz ISJPFJFEHILSBB-CABCVRRESA-N 2 0 352.479 0.213 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NCc2ccncc2O[C@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC001550759711 1268164777 /nfs/dbraw/zinc/16/47/77/1268164777.db2.gz YZFCHRFTVQUFJL-RWMBFGLXSA-N 2 0 373.379 0.853 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC001550911264 1268183277 /nfs/dbraw/zinc/18/32/77/1268183277.db2.gz AANDQWXCPJZENC-CXAGYDPISA-N 2 0 365.865 0.910 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC001550911810 1268183934 /nfs/dbraw/zinc/18/39/34/1268183934.db2.gz DQNBUTGAQPSZLA-LRDDRELGSA-N 2 0 365.865 0.910 20 0 FCADRP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC001550912531 1268184286 /nfs/dbraw/zinc/18/42/86/1268184286.db2.gz IWIWFPXANJLWBM-WMZOPIPTSA-N 2 0 365.499 0.827 20 0 FCADRP O=C1CC[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914489 1268184447 /nfs/dbraw/zinc/18/44/47/1268184447.db2.gz YCACNNBVWQKPOW-DNVCBOLYSA-N 2 0 355.442 0.431 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC001550912048 1268184663 /nfs/dbraw/zinc/18/46/63/1268184663.db2.gz FFXITPBIBNFFST-CXAGYDPISA-N 2 0 365.865 0.910 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001550980904 1268187889 /nfs/dbraw/zinc/18/78/89/1268187889.db2.gz SDHQEFZAPHMYSC-GVDBMIGSSA-N 2 0 354.495 0.600 20 0 FCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](c3nn(C)c(=O)n3C)C[C@H]2O)CC1 ZINC001551223293 1268214789 /nfs/dbraw/zinc/21/47/89/1268214789.db2.gz GCYQBKRAMQWURY-IJEWVQPXSA-N 2 0 351.495 0.437 20 0 FCADRP Cn1nc([C@@H]2C[C@H](O)[C@H](C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223536 1268215856 /nfs/dbraw/zinc/21/58/56/1268215856.db2.gz NHKMDLOMWMNIRD-AJNGGQMLSA-N 2 0 351.495 0.436 20 0 FCADRP Cn1nc([C@H]2C[C@H](O)[C@H](C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223538 1268216064 /nfs/dbraw/zinc/21/60/64/1268216064.db2.gz NHKMDLOMWMNIRD-QPSCCSFWSA-N 2 0 351.495 0.436 20 0 FCADRP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001551229802 1268216179 /nfs/dbraw/zinc/21/61/79/1268216179.db2.gz RUTBSVIRKXDVAA-MANSERQUSA-N 2 0 358.486 0.792 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C2CC[NH2+]CC2)N1 ZINC001551392873 1268231508 /nfs/dbraw/zinc/23/15/08/1268231508.db2.gz WODUGFDVSNAQCI-BQFCYCMXSA-N 3 0 350.507 0.382 20 0 FCADRP [NH3+][C@H]1CCCC[C@@H]1n1cc(C(=O)N2CC[NH2+]CCC23CCOCC3)nn1 ZINC001551468929 1268257686 /nfs/dbraw/zinc/25/76/86/1268257686.db2.gz YQBOEVTZBROXTD-HOCLYGCPSA-N 2 0 362.478 0.705 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1n1cc(C(=O)N2CC[NH2+]CCC23CCOCC3)nn1 ZINC001551468930 1268257696 /nfs/dbraw/zinc/25/76/96/1268257696.db2.gz YQBOEVTZBROXTD-ZBFHGGJFSA-N 2 0 362.478 0.705 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001551468460 1268257981 /nfs/dbraw/zinc/25/79/81/1268257981.db2.gz QSVXNNYFLCXYCS-OALUTQOASA-N 2 0 357.502 0.843 20 0 FCADRP C[N@@H+]1[C@H](CO)C[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]21 ZINC001551477843 1268258772 /nfs/dbraw/zinc/25/87/72/1268258772.db2.gz HZVCDPGCXJXPPA-JURFCUMRSA-N 2 0 358.486 0.752 20 0 FCADRP [NH3+]CC1(c2ccccc2)CC(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC001551487456 1268260750 /nfs/dbraw/zinc/26/07/50/1268260750.db2.gz RDSRWTLAITUYLO-QPIRBTGLSA-N 2 0 357.502 0.735 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C[C@H]1C[NH+](C)C ZINC001551501960 1268262386 /nfs/dbraw/zinc/26/23/86/1268262386.db2.gz GHXDCJCQIKATPI-RWQQGDIJSA-N 3 0 359.518 0.992 20 0 FCADRP C[NH2+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551552966 1268265736 /nfs/dbraw/zinc/26/57/36/1268265736.db2.gz GDYVXJCOPQYDLL-ZMSDIMECSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001551555007 1268266312 /nfs/dbraw/zinc/26/63/12/1268266312.db2.gz LQZCOUMDJKNAOM-DNNBLBMLSA-N 2 0 351.495 0.260 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551557252 1268268707 /nfs/dbraw/zinc/26/87/07/1268268707.db2.gz UTXXCLQWQYLTAW-DNNBLBMLSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551557255 1268268933 /nfs/dbraw/zinc/26/89/33/1268268933.db2.gz UTXXCLQWQYLTAW-JJAZEVLHSA-N 2 0 351.495 0.178 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCCC1 ZINC001551559449 1268270543 /nfs/dbraw/zinc/27/05/43/1268270543.db2.gz GIMLXCLQEDZCIZ-RDJZCZTQSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001551562366 1268271952 /nfs/dbraw/zinc/27/19/52/1268271952.db2.gz SDRASHBDNNCZAU-QEJZJMRPSA-N 2 0 361.412 0.218 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551576853 1268275852 /nfs/dbraw/zinc/27/58/52/1268275852.db2.gz KCWDHMUHJBPMFR-RYRKJORJSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551583715 1268278881 /nfs/dbraw/zinc/27/88/81/1268278881.db2.gz WJWVBPGZGKCEQO-GUSZCTEKSA-N 2 0 351.495 0.545 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551586257 1268280046 /nfs/dbraw/zinc/28/00/46/1268280046.db2.gz CAYYUNKYISFNHE-NUJGCVRESA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551589979 1268280458 /nfs/dbraw/zinc/28/04/58/1268280458.db2.gz JFAZLCHBAXBQQS-LESCRADOSA-N 2 0 365.522 0.616 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001551592994 1268280669 /nfs/dbraw/zinc/28/06/69/1268280669.db2.gz NUFCXDDIXDMMBH-BQFCYCMXSA-N 2 0 363.506 0.513 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551592791 1268281283 /nfs/dbraw/zinc/28/12/83/1268281283.db2.gz NAVGZTLXIWXONO-JLJPHGGASA-N 2 0 351.495 0.226 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597798 1268283645 /nfs/dbraw/zinc/28/36/45/1268283645.db2.gz XBWNETZNUAFWBW-WBVHZDCISA-N 2 0 351.495 0.370 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC001339854656 1268349052 /nfs/dbraw/zinc/34/90/52/1268349052.db2.gz IPFGLNATURTLKA-RKVPGOIHSA-N 2 0 372.469 0.922 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552015289 1268351275 /nfs/dbraw/zinc/35/12/75/1268351275.db2.gz ZZUOSVRTAYCZIK-DLBZAZTESA-N 2 0 354.495 0.338 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552100170 1268373451 /nfs/dbraw/zinc/37/34/51/1268373451.db2.gz UXIMSOMOHXXKSQ-BRWVUGGUSA-N 2 0 367.538 0.299 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cnn1C ZINC001552163508 1268396617 /nfs/dbraw/zinc/39/66/17/1268396617.db2.gz GUBJUHUIRYOLGL-CADBVGFASA-N 2 0 353.470 0.985 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)nn1 ZINC001552164577 1268397030 /nfs/dbraw/zinc/39/70/30/1268397030.db2.gz XMTFQPMWQVMRDU-CJNGLKHVSA-N 2 0 374.420 0.403 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cnn1C ZINC001552164733 1268397111 /nfs/dbraw/zinc/39/71/11/1268397111.db2.gz ZTJHOUUYABCPLC-FJIDUMEYSA-N 2 0 361.490 0.386 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)ccc2oc1=O ZINC001552201473 1268408334 /nfs/dbraw/zinc/40/83/34/1268408334.db2.gz NZUAOTNXDIAAFR-XIKOKIGWSA-N 2 0 360.414 0.331 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201493 1268408507 /nfs/dbraw/zinc/40/85/07/1268408507.db2.gz POKSWLXWKNBKMV-NTDBWNAOSA-N 2 0 350.507 0.239 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([C@H]3C[NH2+]C[C@@H]3OC)nn2)CC1 ZINC001552210488 1268411422 /nfs/dbraw/zinc/41/14/22/1268411422.db2.gz ANDZHSQMYZNUDG-ZBFHGGJFSA-N 2 0 364.494 0.313 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001552214955 1268412707 /nfs/dbraw/zinc/41/27/07/1268412707.db2.gz XIJAICLKNRELRX-UONOGXRCSA-N 2 0 364.450 0.036 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001340120964 1268442419 /nfs/dbraw/zinc/44/24/19/1268442419.db2.gz MPZRFHXFFFKMMD-ZACQAIPSSA-N 2 0 352.523 0.881 20 0 FCADRP Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(F)c3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552429743 1268460988 /nfs/dbraw/zinc/46/09/88/1268460988.db2.gz BOUZPQOLRGSDLA-OAGGEKHMSA-N 2 0 358.421 0.827 20 0 FCADRP Cc1c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435285 1268462227 /nfs/dbraw/zinc/46/22/27/1268462227.db2.gz KAAFLNQOGMWIMT-XJKSGUPXSA-N 2 0 364.494 0.286 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340185187 1268463753 /nfs/dbraw/zinc/46/37/53/1268463753.db2.gz RWVJMIDYJUOTJA-UXLLHSPISA-N 2 0 356.511 0.482 20 0 FCADRP Cc1c(C(=O)NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552442753 1268465598 /nfs/dbraw/zinc/46/55/98/1268465598.db2.gz VHLKGICUSIEWGJ-ZBFHGGJFSA-N 2 0 371.445 0.187 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552441268 1268465872 /nfs/dbraw/zinc/46/58/72/1268465872.db2.gz ISNLXOWYEWPCHO-BFYDXBDKSA-N 2 0 362.478 0.480 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)CCSCCC[NH3+])CC1 ZINC001340249034 1268486856 /nfs/dbraw/zinc/48/68/56/1268486856.db2.gz MZSWSDDFGYBFCS-UHFFFAOYSA-N 2 0 351.520 0.922 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552690559 1268522414 /nfs/dbraw/zinc/52/24/14/1268522414.db2.gz GVIRGWSISLLHAJ-BFYDXBDKSA-N 2 0 364.494 0.807 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001340397060 1268534210 /nfs/dbraw/zinc/53/42/10/1268534210.db2.gz DCYIEVIERSFQNL-UYAOXDASSA-N 2 0 361.486 0.898 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC001552808669 1268552624 /nfs/dbraw/zinc/55/26/24/1268552624.db2.gz YZLRVOJLCJMSOV-KURKYZTESA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@H]4C[NH2+]C[C@H]43)cc21 ZINC001552844719 1268558123 /nfs/dbraw/zinc/55/81/23/1268558123.db2.gz QXMYPRLMOZHLEX-CVEARBPZSA-N 2 0 359.430 0.116 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@H]43)cc21 ZINC001552844729 1268558225 /nfs/dbraw/zinc/55/82/25/1268558225.db2.gz QXMYPRLMOZHLEX-HZPDHXFCSA-N 2 0 359.430 0.116 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1C[NH+](C)C ZINC001552849301 1268559048 /nfs/dbraw/zinc/55/90/48/1268559048.db2.gz JKKUYZKFLCXFMW-GJZGRUSLSA-N 3 0 363.510 0.014 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C[NH3+] ZINC001552846057 1268559211 /nfs/dbraw/zinc/55/92/11/1268559211.db2.gz QMVBFDDIDNTWFP-GARJFASQSA-N 2 0 358.393 0.186 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C[C@H]1C[NH+](C)C ZINC001552849262 1268559236 /nfs/dbraw/zinc/55/92/36/1268559236.db2.gz HRQJPZWAGXUKPC-IYBDPMFKSA-N 3 0 363.506 0.953 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCN1C)C2 ZINC001552996211 1268574152 /nfs/dbraw/zinc/57/41/52/1268574152.db2.gz GGPCYSCWHFRSKU-WSRJKRBPSA-N 2 0 367.538 0.011 20 0 FCADRP O=C([C@@H]1C[C@@H](c2ccccc2)C[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355142 1268636468 /nfs/dbraw/zinc/63/64/68/1268636468.db2.gz TYCLQYLSRTXEBD-QRVBRYPASA-N 2 0 370.497 0.803 20 0 FCADRP CN1CC[C@@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378085 1268641212 /nfs/dbraw/zinc/64/12/12/1268641212.db2.gz JKEYYMGUVVOLDB-VQIMIIECSA-N 2 0 363.506 0.278 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553389037 1268641722 /nfs/dbraw/zinc/64/17/22/1268641722.db2.gz ICMGRXKNPSDPQB-YWZLYKJASA-N 2 0 370.453 0.815 20 0 FCADRP COCC(=O)Nc1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553397050 1268642929 /nfs/dbraw/zinc/64/29/29/1268642929.db2.gz YQBSYAXXBWPLRS-DNVCBOLYSA-N 2 0 360.458 0.429 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415280 1268646648 /nfs/dbraw/zinc/64/66/48/1268646648.db2.gz SOGFPNUMMNAEHP-WKULXVSPSA-N 2 0 350.507 0.523 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)ccc2oc1=O ZINC001553413834 1268647654 /nfs/dbraw/zinc/64/76/54/1268647654.db2.gz QUNFWSHKGFLVGZ-HEHGZKQESA-N 2 0 360.414 0.614 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])c1 ZINC001553426756 1268649238 /nfs/dbraw/zinc/64/92/38/1268649238.db2.gz MODWYFRFPDLLSS-ZWKOTPCHSA-N 2 0 368.485 0.915 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])c1 ZINC001553426753 1268649273 /nfs/dbraw/zinc/64/92/73/1268649273.db2.gz MODWYFRFPDLLSS-ROUUACIJSA-N 2 0 368.485 0.915 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553448783 1268651845 /nfs/dbraw/zinc/65/18/45/1268651845.db2.gz KOXFZGBHESNHLT-CVEARBPZSA-N 2 0 365.522 0.570 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CC1(C)C ZINC001553482655 1268658335 /nfs/dbraw/zinc/65/83/35/1268658335.db2.gz VBLQBZSAFJLHTB-OAHLLOKOSA-N 2 0 353.511 0.080 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001553512054 1268660802 /nfs/dbraw/zinc/66/08/02/1268660802.db2.gz VEITZNIKSQHYAF-JKSUJKDBSA-N 2 0 352.479 0.308 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001340894928 1268697481 /nfs/dbraw/zinc/69/74/81/1268697481.db2.gz MLDCLXNKOMTYHM-SFHVURJKSA-N 2 0 361.490 0.867 20 0 FCADRP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001341335114 1268941799 /nfs/dbraw/zinc/94/17/99/1268941799.db2.gz SQFGUTWHVDOEHI-BRWVUGGUSA-N 3 0 367.538 0.292 20 0 FCADRP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001341335116 1268941902 /nfs/dbraw/zinc/94/19/02/1268941902.db2.gz SQFGUTWHVDOEHI-GVDBMIGSSA-N 3 0 367.538 0.292 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)cc1 ZINC001341459291 1269010976 /nfs/dbraw/zinc/01/09/76/1269010976.db2.gz YKBUYXPWNNKFSW-UHFFFAOYSA-N 2 0 373.457 0.815 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341527244 1269055710 /nfs/dbraw/zinc/05/57/10/1269055710.db2.gz VHAHJIDYVALVSO-FQEVSTJZSA-N 2 0 371.485 0.584 20 0 FCADRP [NH3+][C@H](CO)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001341627250 1269116671 /nfs/dbraw/zinc/11/66/71/1269116671.db2.gz OAFRTQCBGPPCKA-HXUWFJFHSA-N 2 0 368.481 0.945 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N=c2nc(C3CC[NH2+]CC3)[nH]n2C)c1 ZINC001341699459 1269157997 /nfs/dbraw/zinc/15/79/97/1269157997.db2.gz JXNYUAMVBRWVQN-UHFFFAOYSA-N 2 0 358.446 0.555 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C1)CC2 ZINC001341731696 1269175070 /nfs/dbraw/zinc/17/50/70/1269175070.db2.gz BINIEHAYAYYBCV-LZLYRXPVSA-N 2 0 373.501 0.861 20 0 FCADRP O=C(c1cnc(C2CC[NH2+]CC2)o1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001341750019 1269184616 /nfs/dbraw/zinc/18/46/16/1269184616.db2.gz DKRIOCVDQVGKTG-AWEZNQCLSA-N 2 0 361.446 0.178 20 0 FCADRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001341807081 1269218742 /nfs/dbraw/zinc/21/87/42/1269218742.db2.gz CLSMDRGWNJKUHQ-UHFFFAOYSA-N 2 0 368.485 0.964 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1=O ZINC001342082626 1269338785 /nfs/dbraw/zinc/33/87/85/1269338785.db2.gz XOBLVJXCWFPOSZ-KRWDZBQOSA-N 2 0 372.513 0.916 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342935841 1269687660 /nfs/dbraw/zinc/68/76/60/1269687660.db2.gz GGCIFKPMAQFQOR-ARFHVFGLSA-N 2 0 366.506 0.155 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001342940380 1269691131 /nfs/dbraw/zinc/69/11/31/1269691131.db2.gz UGEGTYBTIOLCTC-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1 ZINC001343353646 1269873675 /nfs/dbraw/zinc/87/36/75/1269873675.db2.gz HFERMJZXABDEJC-KRWDZBQOSA-N 2 0 361.490 0.600 20 0 FCADRP COc1cc(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC001343394179 1269893825 /nfs/dbraw/zinc/89/38/25/1269893825.db2.gz KVXAFKRIAPZYKH-IBGZPJMESA-N 2 0 365.474 0.756 20 0 FCADRP C[NH+](CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O)C1CCC1 ZINC001343477737 1269920971 /nfs/dbraw/zinc/92/09/71/1269920971.db2.gz XCKPXJXBGQKZCE-CVEARBPZSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580581630 1278521205 /nfs/dbraw/zinc/52/12/05/1278521205.db2.gz NRMDBWGXJUECFZ-MRXNPFEDSA-N 2 0 351.491 0.329 20 0 FCADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001571959526 1269984971 /nfs/dbraw/zinc/98/49/71/1269984971.db2.gz JQYNYSICIOUNGZ-IIAWOOMASA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O)[NH+](C)C ZINC001343705495 1269987813 /nfs/dbraw/zinc/98/78/13/1269987813.db2.gz PWMTXVZAHJPAPO-SOLBZPMBSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001344292133 1270134924 /nfs/dbraw/zinc/13/49/24/1270134924.db2.gz XVBBPSWOEKJTEA-BBWFWOEESA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001572828454 1270207580 /nfs/dbraw/zinc/20/75/80/1270207580.db2.gz GIFZFVBNPTWAHV-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001344890874 1270270006 /nfs/dbraw/zinc/27/00/06/1270270006.db2.gz COFDJLGDLXJYFE-HNNXBMFYSA-N 2 0 362.478 0.951 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001572960770 1270413903 /nfs/dbraw/zinc/41/39/03/1270413903.db2.gz WYBVMYXFQYFLNQ-OWCLPIDISA-N 2 0 370.538 0.647 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001580607559 1278567053 /nfs/dbraw/zinc/56/70/53/1278567053.db2.gz QWNZCOVWTZNKJE-JENIJYKNSA-N 2 0 350.507 0.431 20 0 FCADRP CC(C)[C@@H](C(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573974596 1270967569 /nfs/dbraw/zinc/96/75/69/1270967569.db2.gz PUWSABGPDDRZKL-HNNXBMFYSA-N 2 0 360.466 0.743 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001573981782 1270974791 /nfs/dbraw/zinc/97/47/91/1270974791.db2.gz HUGKYMGPRAMLSY-XNISGKROSA-N 2 0 370.461 0.399 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573983003 1270976008 /nfs/dbraw/zinc/97/60/08/1270976008.db2.gz UBYVBSYZKNEUDU-XEZPLFJOSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028272 1271009583 /nfs/dbraw/zinc/00/95/83/1271009583.db2.gz PMFAAWLNKWZCGR-SWLSCSKDSA-N 2 0 358.450 0.188 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251496 1271119391 /nfs/dbraw/zinc/11/93/91/1271119391.db2.gz GETLNHWJVHEFCP-SFHVURJKSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574251524 1271119879 /nfs/dbraw/zinc/11/98/79/1271119879.db2.gz GVKFEVGLFCDHSX-OLZOCXBDSA-N 2 0 358.450 0.425 20 0 FCADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574592068 1271389687 /nfs/dbraw/zinc/38/96/87/1271389687.db2.gz CJCFYXZNYBZXJZ-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595134 1271393584 /nfs/dbraw/zinc/39/35/84/1271393584.db2.gz DRMBOBVBMHQBMG-HIFRSBDPSA-N 2 0 357.462 0.803 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574670959 1271473923 /nfs/dbraw/zinc/47/39/23/1271473923.db2.gz HIBCLIMTZFVIJW-SWLSCSKDSA-N 2 0 360.466 0.577 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870886 1271621306 /nfs/dbraw/zinc/62/13/06/1271621306.db2.gz DYDRXZPWFUYXAM-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876313 1271634742 /nfs/dbraw/zinc/63/47/42/1271634742.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877496 1271639644 /nfs/dbraw/zinc/63/96/44/1271639644.db2.gz SGLICDYCEWUKKV-XJKSGUPXSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195718 1271780461 /nfs/dbraw/zinc/78/04/61/1271780461.db2.gz MMNWTLIHFUOLLO-QAPCUYQASA-N 2 0 354.495 0.338 20 0 FCADRP CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](C[C@@H](O)C2CC[NH2+]CC2)C1 ZINC001575214484 1271795184 /nfs/dbraw/zinc/79/51/84/1271795184.db2.gz UXFBJZFKJUCKMM-CRAIPNDOSA-N 2 0 357.495 0.699 20 0 FCADRP CC(C)(C)c1nnc(N2CC[C@H]([NH3+])C2)n1CCC[NH+]1CCC(O)CC1 ZINC001575289414 1271872017 /nfs/dbraw/zinc/87/20/17/1271872017.db2.gz YCIIQHCSISOIMX-AWEZNQCLSA-N 2 0 350.511 0.960 20 0 FCADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575383684 1272025472 /nfs/dbraw/zinc/02/54/72/1272025472.db2.gz FTXVGEWFRBUZCN-KBPBESRZSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575393830 1272041381 /nfs/dbraw/zinc/04/13/81/1272041381.db2.gz XXKYTWJXYNBYMY-NWDGAFQWSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]Cc1cnn[nH]1 ZINC001575509467 1272174000 /nfs/dbraw/zinc/17/40/00/1272174000.db2.gz IGPDMJKCLRHHTD-KGLIPLIRSA-N 2 0 352.483 0.536 20 0 FCADRP CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C[NH3+])C1 ZINC001575682701 1272294805 /nfs/dbraw/zinc/29/48/05/1272294805.db2.gz ULECIBPQAOTBRS-HNNXBMFYSA-N 2 0 362.482 0.183 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@H]2COCCO2)CC1 ZINC001575697582 1272316591 /nfs/dbraw/zinc/31/65/91/1272316591.db2.gz FESUQHQTRLGBAL-OWCLPIDISA-N 2 0 364.494 0.429 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2([NH3+])COC2)CC1 ZINC001575698952 1272321604 /nfs/dbraw/zinc/32/16/04/1272321604.db2.gz AGDCTJIBZICBMV-OAHLLOKOSA-N 2 0 364.494 0.430 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH2+][C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001575714477 1272354358 /nfs/dbraw/zinc/35/43/58/1272354358.db2.gz AJSGJXNMSQJIKA-AWEZNQCLSA-N 2 0 363.510 0.699 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001580687420 1278717234 /nfs/dbraw/zinc/71/72/34/1278717234.db2.gz MJRSJPATHLOVTB-UYAOXDASSA-N 2 0 358.486 0.156 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989786 1272651814 /nfs/dbraw/zinc/65/18/14/1272651814.db2.gz CJGWVDUHHYYXJX-KFWWJZLASA-N 2 0 363.510 0.684 20 0 FCADRP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC001576009017 1272703849 /nfs/dbraw/zinc/70/38/49/1272703849.db2.gz WSRQUQYYYJAFCT-OAHLLOKOSA-N 2 0 372.477 0.113 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001576048252 1272776744 /nfs/dbraw/zinc/77/67/44/1272776744.db2.gz VECFWNPLPWQZLG-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H](Cn1c([C@H]2CCC[NH2+]C2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001576065427 1272815977 /nfs/dbraw/zinc/81/59/77/1272815977.db2.gz LWRZCPCSBOLPGR-KFWWJZLASA-N 2 0 363.510 0.362 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001576065428 1272816199 /nfs/dbraw/zinc/81/61/99/1272816199.db2.gz LWRZCPCSBOLPGR-QLFBSQMISA-N 2 0 363.510 0.362 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH3+])CC1)[NH+](C)C ZINC001576066444 1272819209 /nfs/dbraw/zinc/81/92/09/1272819209.db2.gz UJRXNYKCSVIMOH-CHWSQXEVSA-N 2 0 370.523 0.058 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576246008 1273023891 /nfs/dbraw/zinc/02/38/91/1273023891.db2.gz KPQNVMPIIROMNO-IUODEOHRSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC001576245197 1273024549 /nfs/dbraw/zinc/02/45/49/1273024549.db2.gz OIMKVQKWDNTZFG-DGCLKSJQSA-N 2 0 357.442 0.625 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576245952 1273025135 /nfs/dbraw/zinc/02/51/35/1273025135.db2.gz KEBNZUGQGAKFAV-GXTWGEPZSA-N 2 0 358.450 0.284 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001576254734 1273036586 /nfs/dbraw/zinc/03/65/86/1273036586.db2.gz FAYGTZQGAPOZGW-ZIAGYGMSSA-N 2 0 372.477 0.530 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001580713237 1278773738 /nfs/dbraw/zinc/77/37/38/1278773738.db2.gz XAPNLSIAMHDUBP-IBGZPJMESA-N 2 0 358.486 0.429 20 0 FCADRP CC[C@@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576481472 1273321500 /nfs/dbraw/zinc/32/15/00/1273321500.db2.gz AZWWETGTEMIBFM-HNNXBMFYSA-N 2 0 374.493 0.920 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492760 1273351137 /nfs/dbraw/zinc/35/11/37/1273351137.db2.gz STGKNJRXEYBSDT-WFASDCNBSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@H](C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498753 1273360271 /nfs/dbraw/zinc/36/02/71/1273360271.db2.gz MRPCXCPIADDTLE-JKSUJKDBSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@@H](C(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576506427 1273374502 /nfs/dbraw/zinc/37/45/02/1273374502.db2.gz QQZGJLOSUQPHOE-NHYWBVRUSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576511985 1273387958 /nfs/dbraw/zinc/38/79/58/1273387958.db2.gz IBBYKEOMDWYJCT-OWCLPIDISA-N 2 0 357.462 0.944 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576586493 1273466245 /nfs/dbraw/zinc/46/62/45/1273466245.db2.gz QSEMCCYJYPMCET-BFYDXBDKSA-N 2 0 364.494 0.142 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576587157 1273467607 /nfs/dbraw/zinc/46/76/07/1273467607.db2.gz WJUAOQGVNUPCPB-DJIMGWMZSA-N 2 0 366.510 0.387 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]CCc2cn[nH]n2)cn1 ZINC001576750198 1273619477 /nfs/dbraw/zinc/61/94/77/1273619477.db2.gz OCHGAXYBMIDDMZ-QGZVFWFLSA-N 2 0 374.493 0.390 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576748220 1273619492 /nfs/dbraw/zinc/61/94/92/1273619492.db2.gz VGTYTVFBTKKFPU-ZBFHGGJFSA-N 2 0 364.494 0.680 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748491 1273620287 /nfs/dbraw/zinc/62/02/87/1273620287.db2.gz XUBFTSPRQHBVFC-XLMAVXFVSA-N 2 0 360.506 0.858 20 0 FCADRP C[C@H]1CN(C(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC[N@@H+]1CC(C)(C)O ZINC001576760017 1273634002 /nfs/dbraw/zinc/63/40/02/1273634002.db2.gz IBXNVUGNWKOXRR-HNAYVOBHSA-N 2 0 353.507 0.575 20 0 FCADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576786950 1273677659 /nfs/dbraw/zinc/67/76/59/1273677659.db2.gz VHEJQSNDGDONEE-LBPRGKRZSA-N 2 0 356.434 0.086 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789381 1273683380 /nfs/dbraw/zinc/68/33/80/1273683380.db2.gz GENLPVQZHQIVER-HOTGVXAUSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576794933 1273696240 /nfs/dbraw/zinc/69/62/40/1273696240.db2.gz GYESHAKWGAFCFN-ZFWWWQNUSA-N 2 0 370.461 0.332 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576794931 1273696818 /nfs/dbraw/zinc/69/68/18/1273696818.db2.gz GYESHAKWGAFCFN-UKRRQHHQSA-N 2 0 370.461 0.332 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796661 1273699220 /nfs/dbraw/zinc/69/92/20/1273699220.db2.gz QKESXUUJVSGEIE-CHWSQXEVSA-N 2 0 358.450 0.250 20 0 FCADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576817276 1273737568 /nfs/dbraw/zinc/73/75/68/1273737568.db2.gz NNVXLOGGTKNSQA-ZDUSSCGKSA-N 2 0 363.441 0.942 20 0 FCADRP CCCC[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001577445467 1274410805 /nfs/dbraw/zinc/41/08/05/1274410805.db2.gz UTEVADRWUXPEAT-CABCVRRESA-N 2 0 363.510 0.746 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C[C@H]([NH3+])C[C@@]2(C(=O)OC)C1 ZINC001577536381 1274478697 /nfs/dbraw/zinc/47/86/97/1274478697.db2.gz VNHGTAMAVJGUBZ-LDDOYCOJSA-N 2 0 352.479 0.783 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550368 1274489399 /nfs/dbraw/zinc/48/93/99/1274489399.db2.gz DVHUHJSXCVADMY-STQMWFEESA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558556 1274504440 /nfs/dbraw/zinc/50/44/40/1274504440.db2.gz KVBFTKXXRVATKW-SFHVURJKSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577560878 1274510117 /nfs/dbraw/zinc/51/01/17/1274510117.db2.gz KEJPSAIIPUYVSQ-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562867 1274513791 /nfs/dbraw/zinc/51/37/91/1274513791.db2.gz HUXLCCPXUOTUJG-CQSZACIVSA-N 2 0 372.477 0.854 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568156 1274526939 /nfs/dbraw/zinc/52/69/39/1274526939.db2.gz MILBSXFWVFQTHN-ZDUSSCGKSA-N 2 0 360.466 0.674 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573984 1274538277 /nfs/dbraw/zinc/53/82/77/1274538277.db2.gz JKODRGMXAFNGOU-UHFFFAOYSA-N 2 0 372.477 0.722 20 0 FCADRP CCN(C)C(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001577654339 1274657566 /nfs/dbraw/zinc/65/75/66/1274657566.db2.gz ANCBFRXARIEUGV-CABCVRRESA-N 2 0 363.510 0.711 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667532 1274689151 /nfs/dbraw/zinc/68/91/51/1274689151.db2.gz DWJDUSWDHZKDSX-BBRMVZONSA-N 2 0 372.477 0.817 20 0 FCADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577680798 1274727063 /nfs/dbraw/zinc/72/70/63/1274727063.db2.gz GLHUATCTFVUOIJ-UONOGXRCSA-N 2 0 351.499 0.684 20 0 FCADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH2+]C)CC1 ZINC001577685309 1274738296 /nfs/dbraw/zinc/73/82/96/1274738296.db2.gz WBZRHUBZYOUFQR-UHFFFAOYSA-N 2 0 365.526 0.946 20 0 FCADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH3+])CC1 ZINC001577684818 1274740136 /nfs/dbraw/zinc/74/01/36/1274740136.db2.gz LNAAWVRHZIMJIN-UHFFFAOYSA-N 2 0 363.510 0.783 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001577767203 1274851207 /nfs/dbraw/zinc/85/12/07/1274851207.db2.gz HTHIPJUNHRTHSS-QFBILLFUSA-N 2 0 352.523 0.901 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH2+]C)C[C@@H]1C ZINC001577782084 1274877065 /nfs/dbraw/zinc/87/70/65/1274877065.db2.gz UNQLWOBATJBAOX-HNNXBMFYSA-N 2 0 363.510 0.540 20 0 FCADRP CC[NH2+]C1CCN(c2nnc(COCC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001577827370 1274938912 /nfs/dbraw/zinc/93/89/12/1274938912.db2.gz HQYHYMZYAIOSLU-GOSISDBHSA-N 2 0 366.510 0.460 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859283 1275020222 /nfs/dbraw/zinc/02/02/22/1275020222.db2.gz APUQXPUBJUKKFG-GFCCVEGCSA-N 2 0 360.466 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859908 1275022223 /nfs/dbraw/zinc/02/22/23/1275022223.db2.gz PRNFILGGGLTARU-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860703 1275025792 /nfs/dbraw/zinc/02/57/92/1275025792.db2.gz ZLPFEMFHYYXSOR-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577862648 1275030092 /nfs/dbraw/zinc/03/00/92/1275030092.db2.gz HOHBLJNHXBSEIK-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577862919 1275033465 /nfs/dbraw/zinc/03/34/65/1275033465.db2.gz NEGMGXCGAMQTRL-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863504 1275037196 /nfs/dbraw/zinc/03/71/96/1275037196.db2.gz WWJXSQWPWVFAKP-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577869493 1275056808 /nfs/dbraw/zinc/05/68/08/1275056808.db2.gz FJDXEJVFXZBOEV-IUODEOHRSA-N 2 0 372.477 0.853 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883245 1275085963 /nfs/dbraw/zinc/08/59/63/1275085963.db2.gz XKYJVEUFNHERKG-GOSISDBHSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577892856 1275102890 /nfs/dbraw/zinc/10/28/90/1275102890.db2.gz UKLKKOYECHGXFF-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577952066 1275172694 /nfs/dbraw/zinc/17/26/94/1275172694.db2.gz HJKCWHXYXCFKIG-HNNXBMFYSA-N 2 0 370.461 0.546 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001578107965 1275411415 /nfs/dbraw/zinc/41/14/15/1275411415.db2.gz XIEXMSJGNCFWTN-INIZCTEOSA-N 2 0 374.493 0.839 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001578109931 1275412235 /nfs/dbraw/zinc/41/22/35/1275412235.db2.gz NHWUNDFAVVLHSH-OAHLLOKOSA-N 2 0 358.450 0.347 20 0 FCADRP CCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[N@H+](C)CCC[NH3+] ZINC001578304926 1275639364 /nfs/dbraw/zinc/63/93/64/1275639364.db2.gz FRSXOUXEHYTSJL-CQSZACIVSA-N 2 0 351.499 0.178 20 0 FCADRP CCc1nnc(N2CCC[C@@H](C[NH3+])C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001578316979 1275656599 /nfs/dbraw/zinc/65/65/99/1275656599.db2.gz HLYGWETZJYCMKL-CVEARBPZSA-N 2 0 350.511 0.984 20 0 FCADRP C[NH+](C)[C@@]1(Cn2c([C@@H]3CCC[NH2+]3)nnc2N2CCOCC2)CCSC1 ZINC001578411827 1275783328 /nfs/dbraw/zinc/78/33/28/1275783328.db2.gz YAQKTBJLPMMGSD-WMLDXEAASA-N 2 0 366.535 0.977 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC001578418936 1275786971 /nfs/dbraw/zinc/78/69/71/1275786971.db2.gz QTMFBFMVNVBNEP-UHFFFAOYSA-N 2 0 354.476 0.737 20 0 FCADRP C[NH+](C)CCOCCn1c(Cc2ccsc2)nnc1N1CC[NH2+]CC1 ZINC001578419581 1275787889 /nfs/dbraw/zinc/78/78/89/1275787889.db2.gz UXKFSAHEZKXIQZ-UHFFFAOYSA-N 2 0 364.519 0.918 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001578421891 1275790359 /nfs/dbraw/zinc/79/03/59/1275790359.db2.gz IBBYKEOMDWYJCT-JYJNAYRXSA-N 2 0 357.462 0.944 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578470958 1275883109 /nfs/dbraw/zinc/88/31/09/1275883109.db2.gz IHOKUEYCUWWLFW-HNNXBMFYSA-N 2 0 352.479 0.261 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)C2)CC1 ZINC001578523011 1275957537 /nfs/dbraw/zinc/95/75/37/1275957537.db2.gz FHGXSVQFPBSXFN-OAHLLOKOSA-N 2 0 357.520 0.344 20 0 FCADRP CN(Cc1ccoc1)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578526047 1275960273 /nfs/dbraw/zinc/96/02/73/1275960273.db2.gz YDACHNSUHDUVLG-YJBOKZPZSA-N 2 0 360.462 0.999 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529660 1275961010 /nfs/dbraw/zinc/96/10/10/1275961010.db2.gz WXJRTFUKHRZWRR-LSDHHAIUSA-N 2 0 351.495 0.323 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)CCN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC001578533640 1275965200 /nfs/dbraw/zinc/96/52/00/1275965200.db2.gz QMWBIILJEZXLIR-LJQANCHMSA-N 2 0 359.518 0.387 20 0 FCADRP C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578543500 1275970186 /nfs/dbraw/zinc/97/01/86/1275970186.db2.gz XDFAAVYRUHNIBY-NUJGCVRESA-N 2 0 371.485 0.204 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCC2)C1 ZINC001578666476 1276119280 /nfs/dbraw/zinc/11/92/80/1276119280.db2.gz IGTDTVNGHJYOEN-HNNXBMFYSA-N 2 0 363.510 0.558 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(C)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001578668928 1276122640 /nfs/dbraw/zinc/12/26/40/1276122640.db2.gz GHNNHGWQVQLPQE-SFHVURJKSA-N 2 0 363.554 0.906 20 0 FCADRP C[NH2+]CCn1c(C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001578721831 1276195005 /nfs/dbraw/zinc/19/50/05/1276195005.db2.gz UKBJVCXUFZIIRB-QGZVFWFLSA-N 2 0 365.526 0.037 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC001578843439 1276364093 /nfs/dbraw/zinc/36/40/93/1276364093.db2.gz UBVVEYUYSJRILH-LAIHZFQQSA-N 2 0 364.490 0.925 20 0 FCADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578877886 1276407171 /nfs/dbraw/zinc/40/71/71/1276407171.db2.gz CKEGKYSOXXAEQU-KRWDZBQOSA-N 2 0 369.473 0.995 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC001578971843 1276516528 /nfs/dbraw/zinc/51/65/28/1276516528.db2.gz KUNBUEYMBFDXOZ-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578973585 1276521215 /nfs/dbraw/zinc/52/12/15/1276521215.db2.gz UMEBFYRFQHLLHV-WKILWMFISA-N 2 0 369.473 0.945 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578974941 1276524825 /nfs/dbraw/zinc/52/48/25/1276524825.db2.gz XZPJZFZZFLXANH-LBPRGKRZSA-N 2 0 363.491 0.913 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578975742 1276525921 /nfs/dbraw/zinc/52/59/21/1276525921.db2.gz GIBAUZDAVABEDE-GOSISDBHSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578978110 1276535867 /nfs/dbraw/zinc/53/58/67/1276535867.db2.gz DVCLMZRJYWFPMR-STQMWFEESA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001578978674 1276536119 /nfs/dbraw/zinc/53/61/19/1276536119.db2.gz LKAASOZDQYTAFH-CABCVRRESA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578978461 1276536211 /nfs/dbraw/zinc/53/62/11/1276536211.db2.gz JCYHHPSXGWKGCR-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578981198 1276542138 /nfs/dbraw/zinc/54/21/38/1276542138.db2.gz SXYWJFSPBFNCLU-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982488 1276545489 /nfs/dbraw/zinc/54/54/89/1276545489.db2.gz RQKXVAPVAODMLB-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987859 1276559966 /nfs/dbraw/zinc/55/99/66/1276559966.db2.gz UNNQKBXFUCDOBG-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578988361 1276561851 /nfs/dbraw/zinc/56/18/51/1276561851.db2.gz WNWFDTLHYICMMD-FZNQNYSPSA-N 2 0 357.462 0.803 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH2+]CC1 ZINC001579014125 1276588564 /nfs/dbraw/zinc/58/85/64/1276588564.db2.gz JHGXFQSJSPIYSN-INIZCTEOSA-N 2 0 366.510 0.898 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001579014924 1276589618 /nfs/dbraw/zinc/58/96/18/1276589618.db2.gz ULBIZNRIUYOKDQ-XHSDSOJGSA-N 2 0 366.510 0.534 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579022073 1276598962 /nfs/dbraw/zinc/59/89/62/1276598962.db2.gz RMFZUADFVOZHSZ-CQSZACIVSA-N 2 0 362.482 0.055 20 0 FCADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001579164786 1276915949 /nfs/dbraw/zinc/91/59/49/1276915949.db2.gz LWCQAAGIIWSWBJ-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168720 1276921537 /nfs/dbraw/zinc/92/15/37/1276921537.db2.gz IVJQJPZLXPKQPY-BBRMVZONSA-N 2 0 370.461 0.831 20 0 FCADRP CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579171643 1276926283 /nfs/dbraw/zinc/92/62/83/1276926283.db2.gz DUQUSUKUTRITTL-AWEZNQCLSA-N 2 0 356.434 0.156 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579261406 1277058594 /nfs/dbraw/zinc/05/85/94/1277058594.db2.gz PZVXVWHRDDVGSZ-NVXWUHKLSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325157 1277142659 /nfs/dbraw/zinc/14/26/59/1277142659.db2.gz AZPFCQAVPGZKEK-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326261 1277148511 /nfs/dbraw/zinc/14/85/11/1277148511.db2.gz NTFSLPQSDNEQDN-SJORKVTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326481 1277148816 /nfs/dbraw/zinc/14/88/16/1277148816.db2.gz JYFQMSSUVNBOSH-GJZGRUSLSA-N 2 0 355.446 0.509 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326578 1277149539 /nfs/dbraw/zinc/14/95/39/1277149539.db2.gz PQIAQFMQWUTYBD-IRXDYDNUSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325962 1277150213 /nfs/dbraw/zinc/15/02/13/1277150213.db2.gz LTLLEUWMUUMSQI-UONOGXRCSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327519 1277155453 /nfs/dbraw/zinc/15/54/53/1277155453.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 2 0 369.473 0.851 20 0 FCADRP CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327336 1277155817 /nfs/dbraw/zinc/15/58/17/1277155817.db2.gz QWXOBELQOJGMQR-KBPBESRZSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331252 1277160073 /nfs/dbraw/zinc/16/00/73/1277160073.db2.gz AADPTJWBEUMQSD-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331792 1277162085 /nfs/dbraw/zinc/16/20/85/1277162085.db2.gz FQWMVIYYTTVQIC-DLBZAZTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334943 1277172963 /nfs/dbraw/zinc/17/29/63/1277172963.db2.gz KEDNLBUHBGOXPG-ARWYELJZSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335166 1277173344 /nfs/dbraw/zinc/17/33/44/1277173344.db2.gz NLSOJRMLHURQSF-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335186 1277173395 /nfs/dbraw/zinc/17/33/95/1277173395.db2.gz NUKVMBHVJDDCTP-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335713 1277175639 /nfs/dbraw/zinc/17/56/39/1277175639.db2.gz UFHMQHVBGUIEFN-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001579339329 1277183366 /nfs/dbraw/zinc/18/33/66/1277183366.db2.gz FNKRZRBUMNBCFV-CYBMUJFWSA-N 2 0 358.450 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340047 1277185966 /nfs/dbraw/zinc/18/59/66/1277185966.db2.gz PMJKZSAUKJHMEO-SOUVJXGZSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344732 1277194648 /nfs/dbraw/zinc/19/46/48/1277194648.db2.gz RFNQRFIXWWPWGJ-CHWSQXEVSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579345238 1277196927 /nfs/dbraw/zinc/19/69/27/1277196927.db2.gz KFPSWJKUYRMSGW-HNNXBMFYSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579346906 1277199899 /nfs/dbraw/zinc/19/98/99/1277199899.db2.gz UIIMJWXHAKMLPP-CQSZACIVSA-N 2 0 369.473 0.757 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579347343 1277201133 /nfs/dbraw/zinc/20/11/33/1277201133.db2.gz CMLKUXJYHJKOBE-OKILXGFUSA-N 2 0 370.461 0.475 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353886 1277216912 /nfs/dbraw/zinc/21/69/12/1277216912.db2.gz WBDYKPALEGOKDD-CJNGLKHVSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355049 1277217134 /nfs/dbraw/zinc/21/71/34/1277217134.db2.gz CHJFPPHTLDTMLQ-IRXDYDNUSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357009 1277225389 /nfs/dbraw/zinc/22/53/89/1277225389.db2.gz SJIOUQYVKAFXOS-GOEBONIOSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358910 1277229261 /nfs/dbraw/zinc/22/92/61/1277229261.db2.gz LOFPRACHNKMFRS-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579359092 1277231596 /nfs/dbraw/zinc/23/15/96/1277231596.db2.gz OGJSJRACOCEVHI-HNNXBMFYSA-N 2 0 355.446 0.699 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001579360451 1277236107 /nfs/dbraw/zinc/23/61/07/1277236107.db2.gz IXHMWPHOVOYQJN-VVLHAWIVSA-N 2 0 367.457 0.507 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579369229 1277251940 /nfs/dbraw/zinc/25/19/40/1277251940.db2.gz VSGJXDBOOBXXEX-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3ccccc3)C2)CC[N@@H+]1C ZINC001713949392 1287307436 /nfs/dbraw/zinc/30/74/36/1287307436.db2.gz OTNWVJHTADCCNJ-VDHUWJSZSA-N 2 0 358.486 0.880 20 0 FCADRP Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001579910284 1277958562 /nfs/dbraw/zinc/95/85/62/1277958562.db2.gz HLEIMMJQNRJTPU-QGZVFWFLSA-N 2 0 365.482 0.288 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001579967288 1277981482 /nfs/dbraw/zinc/98/14/82/1277981482.db2.gz UKCXYLGEHXNTEF-GASCZTMLSA-N 2 0 373.461 0.564 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001580277409 1278071164 /nfs/dbraw/zinc/07/11/64/1278071164.db2.gz NAZVDBZHHBKKKX-NSHDSACASA-N 2 0 363.491 0.864 20 0 FCADRP O=S(=O)(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001580869787 1279073322 /nfs/dbraw/zinc/07/33/22/1279073322.db2.gz IGKGWFXPSSFGNB-IAGOWNOFSA-N 2 0 353.488 0.425 20 0 FCADRP Cc1cc(N(C)C2CCN(C(=O)CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942865 1279151368 /nfs/dbraw/zinc/15/13/68/1279151368.db2.gz UFDIRSXRBMHGNG-UHFFFAOYSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N(C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948930 1279155292 /nfs/dbraw/zinc/15/52/92/1279155292.db2.gz HBJMMMHCJKCEQM-KBPBESRZSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967788 1279168173 /nfs/dbraw/zinc/16/81/73/1279168173.db2.gz YEYBNOYTDNVOQZ-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975866 1279176542 /nfs/dbraw/zinc/17/65/42/1279176542.db2.gz NLILCISQWHZKJW-OSAQELSMSA-N 2 0 370.461 0.463 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987086 1279183739 /nfs/dbraw/zinc/18/37/39/1279183739.db2.gz FRNBHZALFLZFOM-LBPRGKRZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988987 1279188102 /nfs/dbraw/zinc/18/81/02/1279188102.db2.gz VBMJWNNGVIWKRU-YPMHNXCESA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988222 1279188797 /nfs/dbraw/zinc/18/87/97/1279188797.db2.gz QCOZWYGYTYGSOK-ZIAGYGMSSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989527 1279190298 /nfs/dbraw/zinc/19/02/98/1279190298.db2.gz OFENJXMXBTZVPW-OLZOCXBDSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995020 1279203908 /nfs/dbraw/zinc/20/39/08/1279203908.db2.gz VVFQBCJXGPCYET-ZDUSSCGKSA-N 2 0 360.466 0.593 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995431 1279205573 /nfs/dbraw/zinc/20/55/73/1279205573.db2.gz HIOXAAASUFGROY-CQSZACIVSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996048 1279208031 /nfs/dbraw/zinc/20/80/31/1279208031.db2.gz UTWISCJJGUMQPQ-STQMWFEESA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003585 1279221064 /nfs/dbraw/zinc/22/10/64/1279221064.db2.gz RMUZYDKNXKCPHK-UHFFFAOYSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005803 1279224844 /nfs/dbraw/zinc/22/48/44/1279224844.db2.gz DKANLFLALOCYBQ-UKRRQHHQSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013269 1279239495 /nfs/dbraw/zinc/23/94/95/1279239495.db2.gz LXIXQWUMGXFYQM-ZDUSSCGKSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013175 1279239846 /nfs/dbraw/zinc/23/98/46/1279239846.db2.gz JZUQEYZTUJLJFU-WFASDCNBSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023963 1279255179 /nfs/dbraw/zinc/25/51/79/1279255179.db2.gz XUDKDOTWSNDUEP-ZIAGYGMSSA-N 2 0 370.461 0.204 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026504 1279259477 /nfs/dbraw/zinc/25/94/77/1279259477.db2.gz LVXHFGYIMBDLNL-OLZOCXBDSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581035645 1279271561 /nfs/dbraw/zinc/27/15/61/1279271561.db2.gz PJRHEOZBCJGZBL-DOMZBBRYSA-N 2 0 356.434 0.099 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038939 1279276391 /nfs/dbraw/zinc/27/63/91/1279276391.db2.gz GHCIUZWWFMEJRC-JOCQHMNTSA-N 2 0 370.461 0.535 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038925 1279276663 /nfs/dbraw/zinc/27/66/63/1279276663.db2.gz FTJHFZKVLAEBNJ-UBHSHLNASA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038924 1279276695 /nfs/dbraw/zinc/27/66/95/1279276695.db2.gz FTJHFZKVLAEBNJ-MRVWCRGKSA-N 2 0 370.461 0.393 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CCn3cccn3)CC2)CC[N@@H+]1C ZINC001714887538 1287336993 /nfs/dbraw/zinc/33/69/93/1287336993.db2.gz UCOWUUZABWTJSJ-QZTJIDSGSA-N 2 0 362.522 0.299 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC3)CCCC2)CC[N@@H+]1C ZINC001715300171 1287349166 /nfs/dbraw/zinc/34/91/66/1287349166.db2.gz UIHKZGWWLPHEQO-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001603475186 1287383511 /nfs/dbraw/zinc/38/35/11/1287383511.db2.gz KWQHGPUGNKCWOA-MGPQQGTHSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001603599172 1287435222 /nfs/dbraw/zinc/43/52/22/1287435222.db2.gz QAOYNZZPAIWABC-CHWSQXEVSA-N 2 0 360.466 0.676 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582100259 1281057267 /nfs/dbraw/zinc/05/72/67/1281057267.db2.gz BWZYPWCPWUKXFM-GASCZTMLSA-N 2 0 373.436 0.838 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582100824 1281057620 /nfs/dbraw/zinc/05/76/20/1281057620.db2.gz QHBLEJZBBUTZKD-JCNLHEQBSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582100826 1281057700 /nfs/dbraw/zinc/05/77/00/1281057700.db2.gz QKUQNUTTYDEGOR-GASCZTMLSA-N 2 0 373.436 0.838 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582100958 1281058108 /nfs/dbraw/zinc/05/81/08/1281058108.db2.gz WXISNYLVQFTCJD-WKILWMFISA-N 2 0 355.446 0.699 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100797 1281058600 /nfs/dbraw/zinc/05/86/00/1281058600.db2.gz OTFPUKZPRCVDRV-KOMQPUFPSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582471870 1281595252 /nfs/dbraw/zinc/59/52/52/1281595252.db2.gz DXNJKHSUWYJPHY-OAHLLOKOSA-N 2 0 367.457 0.653 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001603905104 1287528309 /nfs/dbraw/zinc/52/83/09/1287528309.db2.gz FXNOAAJPGOXJNF-IHRRRGAJSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC001585013585 1282193381 /nfs/dbraw/zinc/19/33/81/1282193381.db2.gz XPDFQFYHIUFKBU-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198605 1287587368 /nfs/dbraw/zinc/58/73/68/1287587368.db2.gz OOSQNLPPEIXMOS-CHWSQXEVSA-N 2 0 360.466 0.721 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000739 1282988033 /nfs/dbraw/zinc/98/80/33/1282988033.db2.gz RBGVQOQHPDRXPC-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589828315 1283065357 /nfs/dbraw/zinc/06/53/57/1283065357.db2.gz OJRKDCKSMPAROH-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C[NH3+] ZINC001590192629 1283297353 /nfs/dbraw/zinc/29/73/53/1283297353.db2.gz VITMZUYAFKHUMV-VRKREXBASA-N 2 0 360.462 0.912 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590227094 1283358916 /nfs/dbraw/zinc/35/89/16/1283358916.db2.gz KKTIZFAOBBLQKR-OKILXGFUSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001590270639 1283395755 /nfs/dbraw/zinc/39/57/55/1283395755.db2.gz GFNRLVNEGWFRPV-GFCCVEGCSA-N 2 0 361.425 0.553 20 0 FCADRP CC[C@@H](C(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590367541 1283503019 /nfs/dbraw/zinc/50/30/19/1283503019.db2.gz CHUCJUBPHCROLH-HNNXBMFYSA-N 2 0 360.466 0.593 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590456668 1283549862 /nfs/dbraw/zinc/54/98/62/1283549862.db2.gz NTBJWLFZLNKCRC-MRXNPFEDSA-N 2 0 372.477 0.821 20 0 FCADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001590745574 1283799614 /nfs/dbraw/zinc/79/96/14/1283799614.db2.gz HSGRFYKOUUNDAF-OAHLLOKOSA-N 2 0 360.462 0.928 20 0 FCADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001590867306 1283937880 /nfs/dbraw/zinc/93/78/80/1283937880.db2.gz HPIPIKVSPCKUFI-OAHLLOKOSA-N 2 0 363.441 0.942 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001683319763 1283941426 /nfs/dbraw/zinc/94/14/26/1283941426.db2.gz RSRZYHOWMOAISG-BZUAXINKSA-N 2 0 368.522 0.399 20 0 FCADRP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001591084705 1284155981 /nfs/dbraw/zinc/15/59/81/1284155981.db2.gz ZMRTXKVRXLUCBN-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC001591116185 1284192041 /nfs/dbraw/zinc/19/20/41/1284192041.db2.gz OPHLKKJEERCMGI-KRWDZBQOSA-N 2 0 360.462 0.770 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175956 1284265557 /nfs/dbraw/zinc/26/55/57/1284265557.db2.gz ANOAGADLFRFCSH-GFCCVEGCSA-N 2 0 363.491 0.866 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591176535 1284272252 /nfs/dbraw/zinc/27/22/52/1284272252.db2.gz QMTAGNBTQACVSO-CYBMUJFWSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187366 1284298930 /nfs/dbraw/zinc/29/89/30/1284298930.db2.gz RJIFBSIHVQMAKY-APHBUQMISA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187315 1284299789 /nfs/dbraw/zinc/29/97/89/1284299789.db2.gz NCQSRDGGNGRSGY-KZSQQDEKSA-N 2 0 355.446 0.723 20 0 FCADRP COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1-c1nn[nH]n1 ZINC001591526476 1284712252 /nfs/dbraw/zinc/71/22/52/1284712252.db2.gz RWLWNQIDOWKDEV-CQSZACIVSA-N 2 0 373.461 0.695 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001591562262 1284735986 /nfs/dbraw/zinc/73/59/86/1284735986.db2.gz WTCVRTRNXSEGIK-CYBMUJFWSA-N 2 0 373.461 0.423 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cn2)C[C@H]1C[NH+](C)C ZINC001604689915 1287734729 /nfs/dbraw/zinc/73/47/29/1287734729.db2.gz HSIOIHMZQCSDJX-ZIAGYGMSSA-N 2 0 373.465 0.465 20 0 FCADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC001591599543 1284761963 /nfs/dbraw/zinc/76/19/63/1284761963.db2.gz LVUXPTHRUIVGOI-OAHLLOKOSA-N 2 0 373.461 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001591757574 1284884540 /nfs/dbraw/zinc/88/45/40/1284884540.db2.gz TYJVVZMLNUQYMM-DGCLKSJQSA-N 2 0 363.491 0.816 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996459 1285050739 /nfs/dbraw/zinc/05/07/39/1285050739.db2.gz NVFORVPREGUZQO-AWEZNQCLSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047935 1285089620 /nfs/dbraw/zinc/08/96/20/1285089620.db2.gz VKAIPHYNBSJFFV-HNNXBMFYSA-N 2 0 370.461 0.252 20 0 FCADRP Cc1cc(NCCNC(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049491 1285094913 /nfs/dbraw/zinc/09/49/13/1285094913.db2.gz WJQSILDUMVPNAJ-UHFFFAOYSA-N 2 0 358.450 0.252 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592054709 1285097075 /nfs/dbraw/zinc/09/70/75/1285097075.db2.gz FDVJTKQWGSFBCU-LYRGGWFBSA-N 2 0 370.461 0.345 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001702414919 1285657420 /nfs/dbraw/zinc/65/74/20/1285657420.db2.gz BUNWGSFYGXYFLD-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001609266094 1289030822 /nfs/dbraw/zinc/03/08/22/1289030822.db2.gz UOUPAJVADUALME-UHFFFAOYSA-N 2 0 370.465 0.025 20 0 FCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001609284041 1289045724 /nfs/dbraw/zinc/04/57/24/1289045724.db2.gz ZQLRKRUKVVLDGS-FUHWJXTLSA-N 2 0 371.489 0.658 20 0 FCADRP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511761 1286188572 /nfs/dbraw/zinc/18/85/72/1286188572.db2.gz KTHNXBDSWGMJGS-CQSZACIVSA-N 2 0 358.446 0.682 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001707162298 1286484142 /nfs/dbraw/zinc/48/41/42/1286484142.db2.gz VVDJBRJDHCYOLW-HIFRSBDPSA-N 2 0 367.494 0.001 20 0 FCADRP CC[C@H](C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1)OC ZINC001707178203 1286492060 /nfs/dbraw/zinc/49/20/60/1286492060.db2.gz IISCOMBKECACFG-BPLDGKMQSA-N 2 0 365.478 0.653 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001710273143 1287169949 /nfs/dbraw/zinc/16/99/49/1287169949.db2.gz VELSYUVOEQPPKZ-GJZGRUSLSA-N 2 0 365.526 0.897 20 0 FCADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001604854786 1287800250 /nfs/dbraw/zinc/80/02/50/1287800250.db2.gz XEMAHDPGXKECSP-UHFFFAOYSA-N 2 0 355.446 0.656 20 0 FCADRP Cc1cc(N(C)CC[NH+](C)C)c(-c2nn[nH]n2)c(N(C)CC[NH+](C)C)[nH+]1 ZINC001605688397 1288051629 /nfs/dbraw/zinc/05/16/29/1288051629.db2.gz PLYUCBZFSDIWEN-UHFFFAOYSA-N 3 0 361.498 0.566 20 0 FCADRP Cc1cc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721295 1288061387 /nfs/dbraw/zinc/06/13/87/1288061387.db2.gz UDVYLPITMNKLRE-UHFFFAOYSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1oncc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724976966 1288457506 /nfs/dbraw/zinc/45/75/06/1288457506.db2.gz OYUIIRLTIYWFNE-CZUORRHYSA-N 2 0 350.463 0.766 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@H]1CCS(=O)(=O)C1 ZINC001731802794 1288566584 /nfs/dbraw/zinc/56/65/84/1288566584.db2.gz BRUNGMPTZPCZTP-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC[C@H]3C)CC2)CC[N@@H+]1C ZINC001733245902 1288604619 /nfs/dbraw/zinc/60/46/19/1288604619.db2.gz WBICKEPNZUXFFS-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001734268191 1288647216 /nfs/dbraw/zinc/64/72/16/1288647216.db2.gz HFXTWEWBVTVDFP-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104868 1288663540 /nfs/dbraw/zinc/66/35/40/1288663540.db2.gz RYGANCDULCIZQH-IRXDYDNUSA-N 2 0 360.462 0.727 20 0 FCADRP c1nn2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cnc2c1-c1nn[nH]n1 ZINC001609621116 1289266060 /nfs/dbraw/zinc/26/60/60/1289266060.db2.gz QXGBLVWJGKIWIO-UHFFFAOYSA-N 2 0 353.434 0.873 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001691917384 1289341850 /nfs/dbraw/zinc/34/18/50/1289341850.db2.gz GTQHMDICAZEJKM-YESZJQIVSA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001691913483 1289342609 /nfs/dbraw/zinc/34/26/09/1289342609.db2.gz PASPJASUMRTRDN-NWDGAFQWSA-N 2 0 352.401 0.491 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC001691933897 1289344804 /nfs/dbraw/zinc/34/48/04/1289344804.db2.gz WFWIBKOQGGKKIK-IEBWSBKVSA-N 2 0 366.550 0.829 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691981596 1289358087 /nfs/dbraw/zinc/35/80/87/1289358087.db2.gz DFIHWDNQEHKGDS-HYVNUMGLSA-N 2 0 351.495 0.679 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001692267559 1289438982 /nfs/dbraw/zinc/43/89/82/1289438982.db2.gz OGQDQCZRLMVYFB-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)CC[N@@H+]1C ZINC001737390583 1289540242 /nfs/dbraw/zinc/54/02/42/1289540242.db2.gz BECAOCHSQKPDGS-BMFZPTHFSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001699000359 1289543123 /nfs/dbraw/zinc/54/31/23/1289543123.db2.gz CQPYHWQBEWXSIL-BZUAXINKSA-N 2 0 359.536 0.542 20 0 FCADRP Cc1nc(CC[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001699896640 1289570568 /nfs/dbraw/zinc/57/05/68/1289570568.db2.gz BMWWRSKDAIGMFN-MZMPZRCHSA-N 2 0 366.531 0.887 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001699897891 1289574510 /nfs/dbraw/zinc/57/45/10/1289574510.db2.gz KTMJPJYGGOVETD-SCTDSRPQSA-N 2 0 363.506 0.512 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]CC(=O)N(C)C)cc2F)CC[N@@H+]1C ZINC001701066083 1289626995 /nfs/dbraw/zinc/62/69/95/1289626995.db2.gz RDSDIGMTABEQHN-CZUORRHYSA-N 2 0 364.465 0.960 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001739577393 1290184449 /nfs/dbraw/zinc/18/44/49/1290184449.db2.gz KZEDOFCXVQAGAJ-HUUCEWRRSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001739589732 1290207352 /nfs/dbraw/zinc/20/73/52/1290207352.db2.gz BLGZDBCKORSINI-HZPDHXFCSA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001741847664 1290561365 /nfs/dbraw/zinc/56/13/65/1290561365.db2.gz PQMHYDLUSAKHHZ-CABCVRRESA-N 2 0 363.510 0.710 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@H]3CCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001754980824 1290639149 /nfs/dbraw/zinc/63/91/49/1290639149.db2.gz SPRLJOFQPLSVKO-OWCLPIDISA-N 2 0 371.547 0.780 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC1=O ZINC001648051560 1291098605 /nfs/dbraw/zinc/09/86/05/1291098605.db2.gz ZQKJOCBBOPGMEE-FHWLQOOXSA-N 2 0 370.497 0.882 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434870 1291150672 /nfs/dbraw/zinc/15/06/72/1291150672.db2.gz ZAMLZKPDNCWTNP-ZACQAIPSSA-N 2 0 371.547 0.543 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC001657081787 1291593472 /nfs/dbraw/zinc/59/34/72/1291593472.db2.gz QPBNQJMMCAIBLS-UHFFFAOYSA-N 2 0 355.504 0.825 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)Nc1nncs1 ZINC001666553023 1291914004 /nfs/dbraw/zinc/91/40/04/1291914004.db2.gz NDTLOYUTXLZTKA-QJPTWQEYSA-N 2 0 354.480 0.159 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956303 1292286143 /nfs/dbraw/zinc/28/61/43/1292286143.db2.gz AWPCDSVVEPITOK-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001688333363 1294480451 /nfs/dbraw/zinc/48/04/51/1294480451.db2.gz GGYALLIJPKIOLU-OAGGEKHMSA-N 2 0 354.495 0.010 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001689031754 1294577006 /nfs/dbraw/zinc/57/70/06/1294577006.db2.gz CRDQJQFATBCIGA-NRSFXHEJSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001689034026 1294579355 /nfs/dbraw/zinc/57/93/55/1294579355.db2.gz IEMYIRQGKGLNIU-BPQIPLTHSA-N 2 0 363.506 0.682 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001689066861 1294589977 /nfs/dbraw/zinc/58/99/77/1294589977.db2.gz FYABQRDAWLRJIU-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OCC ZINC001689065834 1294590041 /nfs/dbraw/zinc/59/00/41/1294590041.db2.gz SIMPQSRJFKSOJH-FGTMMUONSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001689453397 1294786843 /nfs/dbraw/zinc/78/68/43/1294786843.db2.gz YLYPZVHEIPQNLR-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001690337884 1294865524 /nfs/dbraw/zinc/86/55/24/1294865524.db2.gz CUMNJDYFSOMFEQ-APIJFGDWSA-N 2 0 357.520 0.388 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001690576741 1294871961 /nfs/dbraw/zinc/87/19/61/1294871961.db2.gz IEJXYQBLZXDSHW-CKYFFXLPSA-N 2 0 354.480 0.220 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001690576616 1294872244 /nfs/dbraw/zinc/87/22/44/1294872244.db2.gz FGQJFIXXPBIOAK-MELADBBJSA-N 2 0 351.451 0.746 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691837604 1294936386 /nfs/dbraw/zinc/93/63/86/1294936386.db2.gz ISVDUDRYKXHILI-KGLIPLIRSA-N 2 0 355.483 0.001 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164617857 719015882 /nfs/dbraw/zinc/01/58/82/719015882.db2.gz QFFVERLQITWLHP-OWCLPIDISA-N 2 0 359.474 0.563 20 0 FCADRP c1ncc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164746241 720652102 /nfs/dbraw/zinc/65/21/02/720652102.db2.gz WJQHGRDUMBRSQH-ZIAGYGMSSA-N 2 0 353.430 0.254 20 0 FCADRP c1ncc(O[C@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164744158 720729367 /nfs/dbraw/zinc/72/93/67/720729367.db2.gz RIGJFWRLKIUBIS-CABCVRRESA-N 2 0 353.430 0.254 20 0 FCADRP Cc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(C[NH3+])c1 ZINC001164752434 720960675 /nfs/dbraw/zinc/96/06/75/720960675.db2.gz XZUBZNCTHZNMSS-UHFFFAOYSA-N 2 0 358.446 0.691 20 0 FCADRP CN(CC1CC[NH+](C)CC1)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001165040921 721930388 /nfs/dbraw/zinc/93/03/88/721930388.db2.gz UNIKJZWDHSDRRD-UHFFFAOYSA-N 2 0 367.519 0.346 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069931951 837566783 /nfs/dbraw/zinc/56/67/83/837566783.db2.gz RCPOLBMJYFAYMV-JJXSEGSLSA-N 2 0 352.458 0.710 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015200 837598493 /nfs/dbraw/zinc/59/84/93/837598493.db2.gz KJAGEMVIEVNPBK-BMFZPTHFSA-N 2 0 352.458 0.710 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001070355910 837648582 /nfs/dbraw/zinc/64/85/82/837648582.db2.gz PEARVHFPYSNISM-KBPBESRZSA-N 2 0 350.467 0.245 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025782 /nfs/dbraw/zinc/02/57/82/836025782.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 0 356.555 0.150 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828925 836154198 /nfs/dbraw/zinc/15/41/98/836154198.db2.gz BESOHWMLTAYMPO-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284855 844134083 /nfs/dbraw/zinc/13/40/83/844134083.db2.gz CGDONXQFDVGTCO-KHYOSLBOSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313992 844143176 /nfs/dbraw/zinc/14/31/76/844143176.db2.gz RQIHHVNTVPXSEE-DAYGRLMNSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351804 844154793 /nfs/dbraw/zinc/15/47/93/844154793.db2.gz NCEXEJCWNKUCGT-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345186 844153413 /nfs/dbraw/zinc/15/34/13/844153413.db2.gz XHSJJSSOLFPKGU-KHYOSLBOSA-N 2 0 350.507 0.776 20 0 FCADRP C(C[NH+]1CCC2(CC1)OCCO2)OCC[NH+]1CCC2(CC1)OCCO2 ZINC000749829691 836389112 /nfs/dbraw/zinc/38/91/12/836389112.db2.gz RVXZQAKGIJWBAO-UHFFFAOYSA-N 2 0 356.463 0.681 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363835 844160220 /nfs/dbraw/zinc/16/02/20/844160220.db2.gz BTLZTVQCTUKYTK-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363498 844160871 /nfs/dbraw/zinc/16/08/71/844160871.db2.gz WLLNDZLJYCIMAS-AOIWGVFYSA-N 2 0 355.523 0.896 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101365974 844161441 /nfs/dbraw/zinc/16/14/41/844161441.db2.gz UONQGERMFWZWNG-GJYPPUQNSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429990 844184360 /nfs/dbraw/zinc/18/43/60/844184360.db2.gz JPLLESBDDCXRML-FCEWJHQRSA-N 2 0 350.507 0.633 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621582 836701455 /nfs/dbraw/zinc/70/14/55/836701455.db2.gz ZEYHRJNALVSMNF-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621409 836701633 /nfs/dbraw/zinc/70/16/33/836701633.db2.gz VINBGUZDPZADDF-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061651189 836703433 /nfs/dbraw/zinc/70/34/33/836703433.db2.gz LFDGTXLHBZBPTR-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001063224755 836758414 /nfs/dbraw/zinc/75/84/14/836758414.db2.gz UJRJLPLGCVVEGF-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001063558929 836775308 /nfs/dbraw/zinc/77/53/08/836775308.db2.gz WTGUPEAFSIDRHR-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101476122 844200428 /nfs/dbraw/zinc/20/04/28/844200428.db2.gz CXBYDLOYBRPBIR-AOIWGVFYSA-N 2 0 353.507 0.650 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815814 844280266 /nfs/dbraw/zinc/28/02/66/844280266.db2.gz UPBCBDGYYZNKHT-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015160 838216047 /nfs/dbraw/zinc/21/60/47/838216047.db2.gz DREOHEDROGSSNA-TVFCKZIOSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015477 838216257 /nfs/dbraw/zinc/21/62/57/838216257.db2.gz YTFNBBPPFHGVFX-TVFCKZIOSA-N 2 0 353.507 0.551 20 0 FCADRP COCCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981755 844360105 /nfs/dbraw/zinc/36/01/05/844360105.db2.gz QPKQDIXLYPNTSX-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974889 844356481 /nfs/dbraw/zinc/35/64/81/844356481.db2.gz VKSLHSLRDLMROC-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685352 839113169 /nfs/dbraw/zinc/11/31/69/839113169.db2.gz LZILYPAUQDNKRZ-ZACQAIPSSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001102070408 844403143 /nfs/dbraw/zinc/40/31/43/844403143.db2.gz JIWFQPHOQDUKNW-KYJSFNMBSA-N 2 0 352.523 0.783 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090902 844409616 /nfs/dbraw/zinc/40/96/16/844409616.db2.gz JCTOAAJQKLLPCY-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102091010 844410270 /nfs/dbraw/zinc/41/02/70/844410270.db2.gz NLQJTXKYSCIJJR-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006322 839289640 /nfs/dbraw/zinc/28/96/40/839289640.db2.gz ZMEHNDNPHRMDJP-RRFJBIMHSA-N 2 0 352.504 0.497 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079300431 839506235 /nfs/dbraw/zinc/50/62/35/839506235.db2.gz HYICNEDLIDWJKE-NUEKZKHPSA-N 2 0 350.438 0.535 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285509 844458800 /nfs/dbraw/zinc/45/88/00/844458800.db2.gz UHLDAYMOFZAHOI-BMFZPTHFSA-N 2 0 353.463 0.646 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294409 844459494 /nfs/dbraw/zinc/45/94/94/844459494.db2.gz XDSHFZJLZJQUOA-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290676 844459619 /nfs/dbraw/zinc/45/96/19/844459619.db2.gz PXWYIQWTXGABKO-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290930 844460021 /nfs/dbraw/zinc/46/00/21/844460021.db2.gz ZKTBBJUBRYKJBG-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080332042 839704245 /nfs/dbraw/zinc/70/42/45/839704245.db2.gz FPZLAQLNCWHEJT-LTIDMASMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312892 844464871 /nfs/dbraw/zinc/46/48/71/844464871.db2.gz SVSUBSNSSPXRLK-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318589 844466354 /nfs/dbraw/zinc/46/63/54/844466354.db2.gz ACVGYXZPYGGYSN-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320766 844466579 /nfs/dbraw/zinc/46/65/79/844466579.db2.gz RZNFWHGPYDJOCS-UKRRQHHQSA-N 2 0 354.520 0.854 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558955 839746536 /nfs/dbraw/zinc/74/65/36/839746536.db2.gz MGTDPWDNXWLKQS-JKIFEVAISA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754809 839791318 /nfs/dbraw/zinc/79/13/18/839791318.db2.gz ZGZIBNAYFDCRBD-KBRIMQKVSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102366364 844476808 /nfs/dbraw/zinc/47/68/08/844476808.db2.gz CALPSDVZLMJACR-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375261 844479230 /nfs/dbraw/zinc/47/92/30/844479230.db2.gz ADDDSDBXJVIWOK-HUUCEWRRSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369920 844478184 /nfs/dbraw/zinc/47/81/84/844478184.db2.gz KRAUGXFRTGAMCT-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686527 839999397 /nfs/dbraw/zinc/99/93/97/839999397.db2.gz YQCIKKGATCWSNO-NUEKZKHPSA-N 2 0 355.458 0.622 20 0 FCADRP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686543 839999681 /nfs/dbraw/zinc/99/96/81/839999681.db2.gz ZFLCHVGJDCOELT-DJIMGWMZSA-N 2 0 351.495 0.920 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102427083 844495608 /nfs/dbraw/zinc/49/56/08/844495608.db2.gz AMAZFLNJDOPXFP-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001081796530 840034803 /nfs/dbraw/zinc/03/48/03/840034803.db2.gz ZMCZZMNZNIUXLP-KZNAEPCWSA-N 2 0 351.491 0.855 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434278 844497624 /nfs/dbraw/zinc/49/76/24/844497624.db2.gz XSYRTPBIISBDKT-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CCC1 ZINC001082096057 840183088 /nfs/dbraw/zinc/18/30/88/840183088.db2.gz WRNIIQSOUXPJRA-KZNAEPCWSA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222126 840246869 /nfs/dbraw/zinc/24/68/69/840246869.db2.gz HKHYPOIBJHEGGI-USXIJHARSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479773 844518610 /nfs/dbraw/zinc/51/86/10/844518610.db2.gz HLOJWIXHPAANOS-BRWVUGGUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102487007 844524023 /nfs/dbraw/zinc/52/40/23/844524023.db2.gz GNZWZPQJDVUCJQ-BRWVUGGUSA-N 2 0 353.507 0.818 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317879 840296935 /nfs/dbraw/zinc/29/69/35/840296935.db2.gz MIFUKNDZBQSUIE-BMGDILEWSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318053 840297036 /nfs/dbraw/zinc/29/70/36/840297036.db2.gz VKVGAEGJSZVLKD-ZTFGCOKTSA-N 2 0 353.507 0.959 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082447678 840414946 /nfs/dbraw/zinc/41/49/46/840414946.db2.gz JRMIUPSSEMKSLL-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082520476 840446544 /nfs/dbraw/zinc/44/65/44/840446544.db2.gz ZFYXCWNGBPLPCP-MUIFIZLQSA-N 2 0 371.547 0.588 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001082522115 840447780 /nfs/dbraw/zinc/44/77/80/840447780.db2.gz STMJOYUADPFTEV-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082570424 840470459 /nfs/dbraw/zinc/47/04/59/840470459.db2.gz LGBARWQHZFMQMP-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP COc1cc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)on1 ZINC001102513297 844544999 /nfs/dbraw/zinc/54/49/99/844544999.db2.gz DQBCRKQJPPZRBF-ZIAGYGMSSA-N 2 0 354.451 0.446 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082783551 840559056 /nfs/dbraw/zinc/55/90/56/840559056.db2.gz ALSLCBFYXHMOOG-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102524643 844551820 /nfs/dbraw/zinc/55/18/20/844551820.db2.gz PEIZIVGPMBEDNO-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082828955 840576826 /nfs/dbraw/zinc/57/68/26/840576826.db2.gz UHRPXKILFBSDRD-IUODEOHRSA-N 2 0 367.519 0.894 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001082835039 840579257 /nfs/dbraw/zinc/57/92/57/840579257.db2.gz CJXRBQGAZRQAAE-DJIMGWMZSA-N 2 0 350.507 0.822 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861975 840588057 /nfs/dbraw/zinc/58/80/57/840588057.db2.gz UQTISRBRBYROLX-VNQPRFMTSA-N 2 0 366.531 0.997 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106344 840715650 /nfs/dbraw/zinc/71/56/50/840715650.db2.gz WXMYKNBTVQKFNH-FGTMMUONSA-N 2 0 351.491 0.951 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCCF)C[C@@H]32)cn1 ZINC001083220748 840808419 /nfs/dbraw/zinc/80/84/19/840808419.db2.gz PYOVALPKWQMCPJ-JKSUJKDBSA-N 2 0 353.442 0.330 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274859 840856410 /nfs/dbraw/zinc/85/64/10/840856410.db2.gz CVTUSUPFFXNRFQ-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466249 841037317 /nfs/dbraw/zinc/03/73/17/841037317.db2.gz MNLVBHSEVHOXCS-KSZLIROESA-N 2 0 351.491 0.306 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001083469948 841042691 /nfs/dbraw/zinc/04/26/91/841042691.db2.gz RUKKDACANIOJNE-BDXSIMOUSA-N 2 0 351.491 0.305 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560164 841170300 /nfs/dbraw/zinc/17/03/00/841170300.db2.gz UDVCIDQVXAXCPI-BBWFWOEESA-N 2 0 351.491 0.450 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602270 841222326 /nfs/dbraw/zinc/22/23/26/841222326.db2.gz MEYDPACCOJSOKF-BACDZXNISA-N 2 0 351.491 0.591 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083669203 841293398 /nfs/dbraw/zinc/29/33/98/841293398.db2.gz XYHAGHHJVXKEQG-SQNIBIBYSA-N 2 0 351.491 0.449 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719445 841352505 /nfs/dbraw/zinc/35/25/05/841352505.db2.gz DKVRTOZFGOVNHT-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831323 841474971 /nfs/dbraw/zinc/47/49/71/841474971.db2.gz GXRABASQGGPDIR-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083833044 841477244 /nfs/dbraw/zinc/47/72/44/841477244.db2.gz GTGWGEZTTRVDQC-BBWFWOEESA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001083908387 841555771 /nfs/dbraw/zinc/55/57/71/841555771.db2.gz AFLWIZWJSDJLBT-MSOLQXFVSA-N 2 0 353.507 0.695 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCCC1 ZINC001083959557 841604697 /nfs/dbraw/zinc/60/46/97/841604697.db2.gz YPWNVNRMYVPNMI-IXDOHACOSA-N 2 0 351.491 0.449 20 0 FCADRP CC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833369 861219219 /nfs/dbraw/zinc/21/92/19/861219219.db2.gz CIULDASTJJPPSJ-KXBFYZLASA-N 2 0 351.491 0.999 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054180 841668316 /nfs/dbraw/zinc/66/83/16/841668316.db2.gz ZNUHAMAKRLWKSK-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]21 ZINC001275860222 861231072 /nfs/dbraw/zinc/23/10/72/861231072.db2.gz RHVBLRVFHUKAPU-ROUUACIJSA-N 2 0 350.507 0.334 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877363 861241238 /nfs/dbraw/zinc/24/12/38/861241238.db2.gz AZSLYKDCILGPKX-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878083 861241732 /nfs/dbraw/zinc/24/17/32/861241732.db2.gz GYTNUUJTSCEQSU-APWZRJJASA-N 2 0 350.507 0.907 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085152462 842028678 /nfs/dbraw/zinc/02/86/78/842028678.db2.gz FWQIJVYPUNRLBY-ZACQAIPSSA-N 2 0 371.547 0.922 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001086090835 842119613 /nfs/dbraw/zinc/11/96/13/842119613.db2.gz TWFCFYIHJFVNDK-UUAJXVIYSA-N 2 0 350.507 0.820 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087059786 842254984 /nfs/dbraw/zinc/25/49/84/842254984.db2.gz VLHBLJAOQBQKPP-UKRRQHHQSA-N 2 0 367.519 0.976 20 0 FCADRP Cc1nn(C)c(Cl)c1CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276015771 861289578 /nfs/dbraw/zinc/28/95/78/861289578.db2.gz IQFHAZLLHMWXTM-KRWDZBQOSA-N 2 0 369.897 0.747 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087062495 842259421 /nfs/dbraw/zinc/25/94/21/842259421.db2.gz IZJLDSVEKIQAJR-FVQBIDKESA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087081183 842274532 /nfs/dbraw/zinc/27/45/32/842274532.db2.gz ZFPCDCYLMHJURP-FVQBIDKESA-N 2 0 353.467 0.609 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087100217 842289258 /nfs/dbraw/zinc/28/92/58/842289258.db2.gz KEPKFKJMMNTQRM-SQWLQELKSA-N 2 0 351.451 0.283 20 0 FCADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001088047301 842516886 /nfs/dbraw/zinc/51/68/86/842516886.db2.gz QUIUZPPHARUFGB-ASLPWWTFSA-N 2 0 351.466 0.990 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064569 842521673 /nfs/dbraw/zinc/52/16/73/842521673.db2.gz KXHOIQRWQBOWCV-OWCLPIDISA-N 2 0 350.507 0.905 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129604 842537748 /nfs/dbraw/zinc/53/77/48/842537748.db2.gz WMWHQUCGXZCALO-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001088212676 842562896 /nfs/dbraw/zinc/56/28/96/842562896.db2.gz HVJPLIWEOGOCQB-RYRKJORJSA-N 2 0 350.507 0.763 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667439 843066286 /nfs/dbraw/zinc/06/62/86/843066286.db2.gz UAWXJIIQUPICKZ-MDZRGWNJSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091671978 843067317 /nfs/dbraw/zinc/06/73/17/843067317.db2.gz ATCOZMOLVWDZDU-KHYOSLBOSA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H](CCC(=O)OC)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001276269791 861378800 /nfs/dbraw/zinc/37/88/00/861378800.db2.gz PYKIGHCCJMSSFF-HNNXBMFYSA-N 2 0 355.479 0.441 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731755 843083333 /nfs/dbraw/zinc/08/33/33/843083333.db2.gz VKZZNMSKUIKVBU-MDZRGWNJSA-N 2 0 350.507 0.491 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736856 843085771 /nfs/dbraw/zinc/08/57/71/843085771.db2.gz GFCQOMMOUGAGQG-GJYPPUQNSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013326 843141211 /nfs/dbraw/zinc/14/12/11/843141211.db2.gz NRLOXFCTEGEQGH-JEBQAFNWSA-N 2 0 354.470 0.465 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145597 843164348 /nfs/dbraw/zinc/16/43/48/843164348.db2.gz PCCYHXVRCVBQIQ-FCEWJHQRSA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604663 843248646 /nfs/dbraw/zinc/24/86/46/843248646.db2.gz OJYQQWDEWAADRB-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658266 843269161 /nfs/dbraw/zinc/26/91/61/843269161.db2.gz NPFQVXJRRRAOJF-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677125 843275688 /nfs/dbraw/zinc/27/56/88/843275688.db2.gz YZKVIEQYZGSKSZ-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907221 843336822 /nfs/dbraw/zinc/33/68/22/843336822.db2.gz YSGRDOLUUVQFGJ-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919305 843340886 /nfs/dbraw/zinc/34/08/86/843340886.db2.gz JNDOCOIKCGDWGJ-BPLDGKMQSA-N 2 0 350.463 0.903 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919306 843341899 /nfs/dbraw/zinc/34/18/99/843341899.db2.gz JNDOCOIKCGDWGJ-YUELXQCFSA-N 2 0 350.463 0.903 20 0 FCADRP COC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093044330 843370741 /nfs/dbraw/zinc/37/07/41/843370741.db2.gz HBBSQOOMCZCLGE-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093461432 843438127 /nfs/dbraw/zinc/43/81/27/843438127.db2.gz ITPBSOBTQKPAJB-MTNOOBJLSA-N 2 0 353.507 0.287 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1)[NH+](C)C ZINC001093859576 843479941 /nfs/dbraw/zinc/47/99/41/843479941.db2.gz VWLWJHIKGYGGRH-MGPQQGTHSA-N 2 0 353.467 0.740 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C)n1C ZINC001094049522 843508357 /nfs/dbraw/zinc/50/83/57/843508357.db2.gz YDVVNYBIXKRYIY-KFWWJZLASA-N 2 0 350.511 0.902 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094240976 843538605 /nfs/dbraw/zinc/53/86/05/843538605.db2.gz IQCUJPBUQRELKD-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094433230 843552044 /nfs/dbraw/zinc/55/20/44/843552044.db2.gz YHEMVJXKVWFEDF-GPMSIDNRSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276438267 861450095 /nfs/dbraw/zinc/45/00/95/861450095.db2.gz PTIJFIDMMLURQV-HNAYVOBHSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276438260 861450418 /nfs/dbraw/zinc/45/04/18/861450418.db2.gz PTIJFIDMMLURQV-BEFAXECRSA-N 2 0 350.507 0.920 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875992 843943029 /nfs/dbraw/zinc/94/30/29/843943029.db2.gz YWTBRCUOWNNQEW-BXWFABGCSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103005134 844682587 /nfs/dbraw/zinc/68/25/87/844682587.db2.gz RUGTWTMIGMFRMD-KLHDSHLOSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090038 844698619 /nfs/dbraw/zinc/69/86/19/844698619.db2.gz JUMHMTXUDQQINC-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087935 844699130 /nfs/dbraw/zinc/69/91/30/844699130.db2.gz QDIGDUZVCZMUGN-KYJSFNMBSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+](C)C ZINC001103111978 844702948 /nfs/dbraw/zinc/70/29/48/844702948.db2.gz YMCBEZUGQWEXSG-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148150 844706360 /nfs/dbraw/zinc/70/63/60/844706360.db2.gz PWSRRVUQNGOOCW-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359278 844743193 /nfs/dbraw/zinc/74/31/93/844743193.db2.gz SBUJMYXVBJABDU-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103612387 844787555 /nfs/dbraw/zinc/78/75/55/844787555.db2.gz AXSWCQKNCYNMLY-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642001 844794290 /nfs/dbraw/zinc/79/42/90/844794290.db2.gz MDJKNVRLAFLAPA-UKRRQHHQSA-N 2 0 353.467 0.530 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647089 844794632 /nfs/dbraw/zinc/79/46/32/844794632.db2.gz UJFMXJPPTFCUBM-IAGOWNOFSA-N 2 0 353.507 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001103999606 844850876 /nfs/dbraw/zinc/85/08/76/844850876.db2.gz FDMKDRHHQUGEIU-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104000103 844852321 /nfs/dbraw/zinc/85/23/21/844852321.db2.gz VRPGMEHMWPOHEH-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629944 861505649 /nfs/dbraw/zinc/50/56/49/861505649.db2.gz GSJCAEDGFWJISD-LJQANCHMSA-N 3 0 351.539 0.252 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385249 844905499 /nfs/dbraw/zinc/90/54/99/844905499.db2.gz KLQMCJJPHQMGEM-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104595267 844923386 /nfs/dbraw/zinc/92/33/86/844923386.db2.gz NQBDPIUMSXBOLO-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682998 844932153 /nfs/dbraw/zinc/93/21/53/844932153.db2.gz FLAIJTNSITYUIK-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683910 844932319 /nfs/dbraw/zinc/93/23/19/844932319.db2.gz TZFQYIAVNGHFBZ-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1)[NH+]1CCCC1 ZINC001104694594 844933908 /nfs/dbraw/zinc/93/39/08/844933908.db2.gz YMTHDEUXDHMDNZ-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cnn(C)c1 ZINC001104908378 844958640 /nfs/dbraw/zinc/95/86/40/844958640.db2.gz UTZXNIWICOFOEY-NVXWUHKLSA-N 2 0 351.495 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001105014676 844968965 /nfs/dbraw/zinc/96/89/65/844968965.db2.gz WPLYPUOXJWWVEG-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC(N)=O)CCC2)CC[N@@H+]1C ZINC001105539720 844987257 /nfs/dbraw/zinc/98/72/57/844987257.db2.gz OCBLGGVALWCEPQ-OAGGEKHMSA-N 2 0 350.507 0.953 20 0 FCADRP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105657958 845010086 /nfs/dbraw/zinc/01/00/86/845010086.db2.gz BPTAZMNAZOMMNW-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105659758 845011361 /nfs/dbraw/zinc/01/13/61/845011361.db2.gz PXENEQPUPQURCI-RWQQGDIJSA-N 2 0 355.523 0.677 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105666914 845013484 /nfs/dbraw/zinc/01/34/84/845013484.db2.gz LBGFUPWASQLBBA-RWQQGDIJSA-N 2 0 355.523 0.677 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105668059 845014683 /nfs/dbraw/zinc/01/46/83/845014683.db2.gz WATKUGZHYUQQTB-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105669052 845015976 /nfs/dbraw/zinc/01/59/76/845015976.db2.gz PBTJNKCYGGAGRU-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941676 845063318 /nfs/dbraw/zinc/06/33/18/845063318.db2.gz HLUDNAFQBPISAL-OAGGEKHMSA-N 2 0 353.511 0.472 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106112277 845102481 /nfs/dbraw/zinc/10/24/81/845102481.db2.gz IPNZHKVOVOSIAD-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106112226 845102581 /nfs/dbraw/zinc/10/25/81/845102581.db2.gz YVPBACWQTKIFBE-BFYDXBDKSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CCCC3)C2)C1=O ZINC001276678393 861531329 /nfs/dbraw/zinc/53/13/29/861531329.db2.gz MFAVBCYQMKZNDH-GOSISDBHSA-N 2 0 350.463 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106134541 845110694 /nfs/dbraw/zinc/11/06/94/845110694.db2.gz ZGDPPUHCMLPOOK-OWCLPIDISA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142967 845112960 /nfs/dbraw/zinc/11/29/60/845112960.db2.gz HMCSMEJFOQYHIM-DJIMGWMZSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148788 845114976 /nfs/dbraw/zinc/11/49/76/845114976.db2.gz YVBTYKOZODTPLS-MUIFIZLQSA-N 2 0 350.507 0.537 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC001106198849 845129877 /nfs/dbraw/zinc/12/98/77/845129877.db2.gz PZIGMXVECONQSS-IIAWOOMASA-N 2 0 354.474 0.679 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250068 845143122 /nfs/dbraw/zinc/14/31/22/845143122.db2.gz XPFNJGLDKQXLCF-KYJSFNMBSA-N 2 0 352.523 0.878 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106249419 845143334 /nfs/dbraw/zinc/14/33/34/845143334.db2.gz GVBBDWNWVRBOME-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106256077 845144373 /nfs/dbraw/zinc/14/43/73/845144373.db2.gz WTSNDCGRCOWHDP-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321545 845153608 /nfs/dbraw/zinc/15/36/08/845153608.db2.gz APDGYCGRJQQKDS-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453754 845177188 /nfs/dbraw/zinc/17/71/88/845177188.db2.gz VKHAPTPERYRIQF-LDBBTLTOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106472423 845178926 /nfs/dbraw/zinc/17/89/26/845178926.db2.gz YULMGIQPAIGMEA-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106588133 845201497 /nfs/dbraw/zinc/20/14/97/845201497.db2.gz GVMMMSQZQHRCJH-BPLDGKMQSA-N 2 0 350.463 0.903 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666677 845219881 /nfs/dbraw/zinc/21/98/81/845219881.db2.gz QDFUOBRZJDXROX-GVDBMIGSSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106667904 845220768 /nfs/dbraw/zinc/22/07/68/845220768.db2.gz BOMWJIDWUUEBAB-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106797574 845255411 /nfs/dbraw/zinc/25/54/11/845255411.db2.gz QJFJMYUTIJENKC-HZPDHXFCSA-N 2 0 359.536 0.447 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106840071 845265784 /nfs/dbraw/zinc/26/57/84/845265784.db2.gz WMSGOQPMRUIQQR-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839572 845265892 /nfs/dbraw/zinc/26/58/92/845265892.db2.gz KBWNMNILBGDCOF-HUUCEWRRSA-N 2 0 351.499 0.609 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874573 845274978 /nfs/dbraw/zinc/27/49/78/845274978.db2.gz LIWBMQODUDPQQZ-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)on1 ZINC001106880416 845277341 /nfs/dbraw/zinc/27/73/41/845277341.db2.gz IZTUCNUDCPCQED-ZIAGYGMSSA-N 2 0 354.451 0.446 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106885133 845278534 /nfs/dbraw/zinc/27/85/34/845278534.db2.gz SWVHKOYHCRMBSA-RBSFLKMASA-N 2 0 350.463 0.453 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCn1cc(Cl)cn1 ZINC001106881215 845278598 /nfs/dbraw/zinc/27/85/98/845278598.db2.gz ZEYVJFKTHHSKQK-HUUCEWRRSA-N 2 0 371.913 0.799 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106910692 845285136 /nfs/dbraw/zinc/28/51/36/845285136.db2.gz KCTGIWXTUMYNEO-CHWSQXEVSA-N 2 0 368.507 0.503 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106984127 845300757 /nfs/dbraw/zinc/30/07/57/845300757.db2.gz ZFFFUSORMDZPGO-KZNAEPCWSA-N 2 0 353.507 0.962 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C1CC1 ZINC001106984506 845300892 /nfs/dbraw/zinc/30/08/92/845300892.db2.gz RAFJDVWGWOHSNQ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001107030566 845312141 /nfs/dbraw/zinc/31/21/41/845312141.db2.gz MBLCMYSLNOTRRE-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001107040481 845316835 /nfs/dbraw/zinc/31/68/35/845316835.db2.gz GCOJCEVSQUWRMA-BZUAXINKSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001107071501 845325424 /nfs/dbraw/zinc/32/54/24/845325424.db2.gz LCZHGIFHFJLQTD-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP COC[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727742 861557477 /nfs/dbraw/zinc/55/74/77/861557477.db2.gz SJUJMTOTSHOZAK-PBHICJAKSA-N 2 0 350.419 0.033 20 0 FCADRP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C1CC1 ZINC001107438793 845372556 /nfs/dbraw/zinc/37/25/56/845372556.db2.gz JAILNLHMYNIMPM-ZIFCJYIRSA-N 2 0 353.507 0.696 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436825 845372929 /nfs/dbraw/zinc/37/29/29/845372929.db2.gz SEJNIGAAZMXWLM-JFIYKMOQSA-N 2 0 353.507 0.839 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521020 845389923 /nfs/dbraw/zinc/38/99/23/845389923.db2.gz HNIOFACNGOBBEA-LZLYRXPVSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCOC1)CC2 ZINC001107609485 845407678 /nfs/dbraw/zinc/40/76/78/845407678.db2.gz URWFKKFCQNCKRY-YQVWRLOYSA-N 2 0 353.507 0.962 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632083 845412180 /nfs/dbraw/zinc/41/21/80/845412180.db2.gz PTGKJUNRPYZAIX-FRQCXROJSA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442872 845654354 /nfs/dbraw/zinc/65/43/54/845654354.db2.gz KKTMXAYODPXONG-QZWWFDLISA-N 2 0 351.491 0.591 20 0 FCADRP C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001109797040 845735871 /nfs/dbraw/zinc/73/58/71/845735871.db2.gz QMVUFDOVQHDFAI-MHORFTMASA-N 2 0 353.507 0.981 20 0 FCADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902550 845757165 /nfs/dbraw/zinc/75/71/65/845757165.db2.gz PMGKXXFVNMUJAR-MVJTYMMSSA-N 2 0 353.507 0.980 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110754643 845967648 /nfs/dbraw/zinc/96/76/48/845967648.db2.gz VPWZAWPTKUIXDL-BDXSIMOUSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001111097269 846033527 /nfs/dbraw/zinc/03/35/27/846033527.db2.gz QMVUFDOVQHDFAI-TVFCKZIOSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CC1 ZINC001111217082 846065019 /nfs/dbraw/zinc/06/50/19/846065019.db2.gz FNNJZKLMGNJASO-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001111233802 846065924 /nfs/dbraw/zinc/06/59/24/846065924.db2.gz WQQPJKADWCCMBU-TWMKSMIVSA-N 2 0 357.495 0.074 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001111233804 846066806 /nfs/dbraw/zinc/06/68/06/846066806.db2.gz WQQPJKADWCCMBU-VQHPVUNQSA-N 2 0 357.495 0.074 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001111311435 846084222 /nfs/dbraw/zinc/08/42/22/846084222.db2.gz DIWAJCSVMMRFAZ-ZACQAIPSSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864424 846235054 /nfs/dbraw/zinc/23/50/54/846235054.db2.gz OZSWNYSSNFEZMQ-LNLFQRSKSA-N 2 0 355.523 0.942 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873315 846238969 /nfs/dbraw/zinc/23/89/69/846238969.db2.gz VEZKJJAHBYAQDZ-DOXZYTNZSA-N 2 0 350.507 0.824 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC1 ZINC001111914207 846260021 /nfs/dbraw/zinc/26/00/21/846260021.db2.gz XTVXOXQELQOGRP-HKUYNNGSSA-N 2 0 353.507 0.698 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001111927538 846262793 /nfs/dbraw/zinc/26/27/93/846262793.db2.gz BBKOEJIKPHIHEP-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111926959 846264321 /nfs/dbraw/zinc/26/43/21/846264321.db2.gz REBXIOHFDQWONR-IYOUNJFTSA-N 2 0 350.463 0.104 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCOCC1)C2 ZINC001111939817 846270205 /nfs/dbraw/zinc/27/02/05/846270205.db2.gz UMKQEXGSPGPJJV-HKUYNNGSSA-N 2 0 353.507 0.962 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987018 846282568 /nfs/dbraw/zinc/28/25/68/846282568.db2.gz MUBLUFXODUTCES-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001112003985 846290874 /nfs/dbraw/zinc/29/08/74/846290874.db2.gz ISTWFXRDWZZZRL-HKUYNNGSSA-N 2 0 353.507 0.842 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C1CC1)C2 ZINC001112004839 846291417 /nfs/dbraw/zinc/29/14/17/846291417.db2.gz NGZNYMIYJFJXMH-KXBFYZLASA-N 2 0 350.507 0.918 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005009 846291537 /nfs/dbraw/zinc/29/15/37/846291537.db2.gz SBGSTXOTONCZMJ-BXWFABGCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001112116157 846393869 /nfs/dbraw/zinc/39/38/69/846393869.db2.gz NPCQYVCTLRJUKS-ZIAGYGMSSA-N 2 0 367.412 0.459 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154726 846422079 /nfs/dbraw/zinc/42/20/79/846422079.db2.gz YWEJWOHLLOGFCP-YNEHKIRRSA-N 2 0 367.412 0.314 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112193343 846452698 /nfs/dbraw/zinc/45/26/98/846452698.db2.gz WCYOQTKKFXQKEC-BFHYXJOUSA-N 2 0 367.412 0.316 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193990 846453065 /nfs/dbraw/zinc/45/30/65/846453065.db2.gz GTSMAFZMRPIJEH-YNEHKIRRSA-N 2 0 355.401 0.578 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1 ZINC001112198129 846456662 /nfs/dbraw/zinc/45/66/62/846456662.db2.gz CEMGGQQITFSNSS-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP CCNC(=O)CN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C(F)(F)F ZINC001112199696 846457026 /nfs/dbraw/zinc/45/70/26/846457026.db2.gz ZPLNHXHHYVYAKI-ZYHUDNBSSA-N 2 0 361.368 0.376 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112211883 846468488 /nfs/dbraw/zinc/46/84/88/846468488.db2.gz BBLAQMKDCDQMIV-CHWSQXEVSA-N 2 0 355.401 0.314 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112212314 846469806 /nfs/dbraw/zinc/46/98/06/846469806.db2.gz YSJRCFXJUGQGRR-JHJVBQTASA-N 2 0 364.412 0.584 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112349979 846495686 /nfs/dbraw/zinc/49/56/86/846495686.db2.gz CNQZHMPJLZHCDT-FCEWJHQRSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001112399404 846500593 /nfs/dbraw/zinc/50/05/93/846500593.db2.gz SFYABRTZKWJRBE-WDYCEAGBSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CCC1 ZINC001112396921 846500618 /nfs/dbraw/zinc/50/06/18/846500618.db2.gz KGRMBGMCLUJHKP-WMZOPIPTSA-N 2 0 353.507 0.698 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396931 846501199 /nfs/dbraw/zinc/50/11/99/846501199.db2.gz KUDBIBQTYLETIR-JZXOWHBKSA-N 2 0 353.507 0.696 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112428423 846503116 /nfs/dbraw/zinc/50/31/16/846503116.db2.gz HJRJJCLDUPGSCR-LNLFQRSKSA-N 2 0 353.507 0.698 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522213 846513135 /nfs/dbraw/zinc/51/31/35/846513135.db2.gz LARDOAPSLASAMD-LNLFQRSKSA-N 2 0 353.507 0.554 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112522686 846513907 /nfs/dbraw/zinc/51/39/07/846513907.db2.gz JYGWQFXGJLCIMJ-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112523020 846513987 /nfs/dbraw/zinc/51/39/87/846513987.db2.gz YIZFRJVADWDMMR-QOKNQOGYSA-N 2 0 350.507 0.681 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)C1=O ZINC001112522990 846514067 /nfs/dbraw/zinc/51/40/67/846514067.db2.gz XEAODMHJLAENBK-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001112531364 846516217 /nfs/dbraw/zinc/51/62/17/846516217.db2.gz UCQUYHLQQQZQRV-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001112531341 846516379 /nfs/dbraw/zinc/51/63/79/846516379.db2.gz RTTCWKWZPPMXMS-QOKNQOGYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112557530 846523226 /nfs/dbraw/zinc/52/32/26/846523226.db2.gz LFMNSYBEOOLYJA-RDJZCZTQSA-N 2 0 359.536 0.591 20 0 FCADRP C[C@@H](O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563712 846525316 /nfs/dbraw/zinc/52/53/16/846525316.db2.gz KDHUWFLDOHAPPS-AOIWGVFYSA-N 2 0 355.523 0.944 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001112579109 846529232 /nfs/dbraw/zinc/52/92/32/846529232.db2.gz WVWUESLYYVUWSF-RYRKJORJSA-N 2 0 371.547 0.591 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112584374 846530723 /nfs/dbraw/zinc/53/07/23/846530723.db2.gz OXLIYBRITQXSGG-LPHOPBHVSA-N 2 0 350.507 0.827 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584911 846532069 /nfs/dbraw/zinc/53/20/69/846532069.db2.gz PBBGSQGUZJJXOT-LPHOPBHVSA-N 2 0 350.507 0.827 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001116169890 846621401 /nfs/dbraw/zinc/62/14/01/846621401.db2.gz WVMGWQGTXCGNHE-QGZVFWFLSA-N 2 0 352.523 0.631 20 0 FCADRP NC(=O)NC1CC[NH+](CCCCC[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC001116338984 846659946 /nfs/dbraw/zinc/65/99/46/846659946.db2.gz ONVYFSVHAFNMJU-UHFFFAOYSA-N 2 0 354.499 0.422 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001117122036 846898606 /nfs/dbraw/zinc/89/86/06/846898606.db2.gz FNRADXBEGDAOKX-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001118123440 847290080 /nfs/dbraw/zinc/29/00/80/847290080.db2.gz KSLIPDVRQWKABY-HZPDHXFCSA-N 2 0 352.479 0.356 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001118149321 847297454 /nfs/dbraw/zinc/29/74/54/847297454.db2.gz CWGQYCSLYMRTFP-AEFFLSMTSA-N 2 0 351.491 0.940 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCCCC1 ZINC001118267137 847354460 /nfs/dbraw/zinc/35/44/60/847354460.db2.gz VZXOTJNEIYMKPB-BXWFABGCSA-N 2 0 350.507 0.955 20 0 FCADRP Cc1cc(F)ncc1CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277261256 861809433 /nfs/dbraw/zinc/80/94/33/861809433.db2.gz GRIMQQOBNWCLJO-GOSISDBHSA-N 2 0 350.438 0.894 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001119352878 847820130 /nfs/dbraw/zinc/82/01/30/847820130.db2.gz FYIQYJQWXGFZFS-HUUCEWRRSA-N 2 0 368.547 0.802 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001120537191 848236790 /nfs/dbraw/zinc/23/67/90/848236790.db2.gz TZVUXKQJFVPITI-FVPDABNVSA-N 2 0 351.495 0.225 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001120589559 848249062 /nfs/dbraw/zinc/24/90/62/848249062.db2.gz POQLCBLABXITEU-QAPCUYQASA-N 2 0 369.531 0.739 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001120602490 848251264 /nfs/dbraw/zinc/25/12/64/848251264.db2.gz HTDZMNFPIZPMBG-IRXDYDNUSA-N 2 0 353.438 0.628 20 0 FCADRP CCN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133599 848322078 /nfs/dbraw/zinc/32/20/78/848322078.db2.gz DSWOOFFFOOLCGU-ITFIPKOWSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001121922768 848417908 /nfs/dbraw/zinc/41/79/08/848417908.db2.gz OQYGWADNYSSDOO-WMLDXEAASA-N 2 0 354.495 0.093 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001121928629 848419889 /nfs/dbraw/zinc/41/98/89/848419889.db2.gz SIYIPUNNUYEAPA-INIZCTEOSA-N 2 0 354.882 0.678 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001122213254 848467417 /nfs/dbraw/zinc/46/74/17/848467417.db2.gz CTBPOLVFCOFMGB-AWEZNQCLSA-N 2 0 356.536 0.789 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790439 848638323 /nfs/dbraw/zinc/63/83/23/848638323.db2.gz ZECQLJXZNUKZTI-SJLPKXTDSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659806 848731310 /nfs/dbraw/zinc/73/13/10/848731310.db2.gz LUPIRAAZQSZMMI-UMVBOHGHSA-N 2 0 352.504 0.799 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2cccs2)CC[N@@H+]1C ZINC001127653006 848731544 /nfs/dbraw/zinc/73/15/44/848731544.db2.gz JGJKLSOFYVAKIQ-IIAWOOMASA-N 2 0 355.504 0.672 20 0 FCADRP CC(C)n1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659832 848731647 /nfs/dbraw/zinc/73/16/47/848731647.db2.gz MZFQPVRMUWCOQW-ZIAGYGMSSA-N 2 0 350.467 0.449 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653023 848731685 /nfs/dbraw/zinc/73/16/85/848731685.db2.gz JKBPZTUFQAUXMZ-TZMCWYRMSA-N 2 0 350.467 0.021 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)c2ccco2)CC[N@@H+]1C ZINC001127701049 848733192 /nfs/dbraw/zinc/73/31/92/848733192.db2.gz GDMUGKGPLYZJPD-QLFBSQMISA-N 2 0 350.463 0.893 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220490 848819300 /nfs/dbraw/zinc/81/93/00/848819300.db2.gz XPEMPFNISGYZPS-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384778 848838041 /nfs/dbraw/zinc/83/80/41/848838041.db2.gz AWCOOEGLOJSXMY-CVEARBPZSA-N 2 0 352.483 0.244 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129400520 848840132 /nfs/dbraw/zinc/84/01/32/848840132.db2.gz QYWRBJXFTKPSRY-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129879046 848906502 /nfs/dbraw/zinc/90/65/02/848906502.db2.gz OWMZRVJYYSDLDT-KFWWJZLASA-N 2 0 358.437 0.659 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129884696 848907691 /nfs/dbraw/zinc/90/76/91/848907691.db2.gz RAVIDMICWIMCBD-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129891960 848908654 /nfs/dbraw/zinc/90/86/54/848908654.db2.gz ALRFQKHLPYDSHT-SHNZWPGYSA-N 2 0 352.870 0.712 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894936 848909536 /nfs/dbraw/zinc/90/95/36/848909536.db2.gz YZDXUXOCBSXNBC-ZNMIVQPWSA-N 2 0 350.467 0.139 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129982685 848925689 /nfs/dbraw/zinc/92/56/89/848925689.db2.gz ICUWEKDKLLLDGQ-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129994443 848927890 /nfs/dbraw/zinc/92/78/90/848927890.db2.gz OINDYQUFEKYWBM-CABCVRRESA-N 2 0 363.491 0.271 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130006134 848929686 /nfs/dbraw/zinc/92/96/86/848929686.db2.gz UQEQLAIYWPDZDW-PMPSAXMXSA-N 2 0 352.483 0.122 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130014237 848930673 /nfs/dbraw/zinc/93/06/73/848930673.db2.gz FXJWUMBRAYZJLU-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094419 848943275 /nfs/dbraw/zinc/94/32/75/848943275.db2.gz KETJTGNWLLXRNP-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094365 848943291 /nfs/dbraw/zinc/94/32/91/848943291.db2.gz HESSDMLUCOCEMW-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125467 848948271 /nfs/dbraw/zinc/94/82/71/848948271.db2.gz PMFOBKDYDGRJBC-CVEARBPZSA-N 2 0 350.467 0.142 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001130603039 849019151 /nfs/dbraw/zinc/01/91/51/849019151.db2.gz VYNPFLKEEYXVJG-SQWLQELKSA-N 2 0 357.449 0.954 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130656355 849024766 /nfs/dbraw/zinc/02/47/66/849024766.db2.gz GSMCEKWITHYSIS-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130698391 849027644 /nfs/dbraw/zinc/02/76/44/849027644.db2.gz KYLJMSWQMHAJSU-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC)C1 ZINC001130719395 849029146 /nfs/dbraw/zinc/02/91/46/849029146.db2.gz NKXJSLVHQJNLMW-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131064603 849076044 /nfs/dbraw/zinc/07/60/44/849076044.db2.gz NRURKXLNTXVDDV-BFYDXBDKSA-N 2 0 351.495 0.537 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131101103 849079826 /nfs/dbraw/zinc/07/98/26/849079826.db2.gz MUVFIZUJKFBPBM-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131115166 849080511 /nfs/dbraw/zinc/08/05/11/849080511.db2.gz AXATZJJDBWCGQM-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313072 849093683 /nfs/dbraw/zinc/09/36/83/849093683.db2.gz GRFBGEHBYDWXKP-OAGGEKHMSA-N 2 0 352.479 0.844 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316274 849095170 /nfs/dbraw/zinc/09/51/70/849095170.db2.gz DBDVORQTHMTFNO-OAGGEKHMSA-N 2 0 352.479 0.843 20 0 FCADRP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C12CC[NH+](CC1)C2 ZINC001131595066 849128614 /nfs/dbraw/zinc/12/86/14/849128614.db2.gz NDPITLQJMCZSBW-SJORKVTESA-N 2 0 351.491 0.450 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131596957 849128663 /nfs/dbraw/zinc/12/86/63/849128663.db2.gz CSCOHFZOLQQPNA-UNEWFSDZSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131608434 849130483 /nfs/dbraw/zinc/13/04/83/849130483.db2.gz ANUAPBOEGRHLRM-LXZKKBNFSA-N 2 0 354.495 0.186 20 0 FCADRP COCCn1cc(CN2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)cn1 ZINC001139779911 849347841 /nfs/dbraw/zinc/34/78/41/849347841.db2.gz ILDGJFZFXDNFOZ-QZTJIDSGSA-N 2 0 352.479 0.699 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)no1 ZINC001143140270 849476850 /nfs/dbraw/zinc/47/68/50/849476850.db2.gz LLSLBNBNRAKCND-ZDUSSCGKSA-N 2 0 352.435 0.949 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(C)(C)C)C3)CC[N@@H+]1C ZINC001147583803 849585971 /nfs/dbraw/zinc/58/59/71/849585971.db2.gz WHHFMSJJGRYXIL-HUUCEWRRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CCN(CC(N)=O)CC2)CC[N@@H+]1C ZINC001151132726 849679476 /nfs/dbraw/zinc/67/94/76/849679476.db2.gz UOVFVILNBJOUFO-LSDHHAIUSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC001151536744 849689796 /nfs/dbraw/zinc/68/97/96/849689796.db2.gz XZYNCPMWWLJMTD-ZIAGYGMSSA-N 2 0 357.476 0.495 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157522744 849977301 /nfs/dbraw/zinc/97/73/01/849977301.db2.gz YLZDAOGYOIWHQP-JTQLQIEISA-N 2 0 358.368 0.513 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ncnc4c3NC(=O)CS4)CC2)CC1 ZINC001157848564 849999886 /nfs/dbraw/zinc/99/98/86/849999886.db2.gz VIXNCSGALSYUCX-UHFFFAOYSA-N 2 0 362.503 0.985 20 0 FCADRP O=C(N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157923548 850004578 /nfs/dbraw/zinc/00/45/78/850004578.db2.gz FFCHDQXHZVXSQX-OXHZDVMGSA-N 2 0 353.360 0.439 20 0 FCADRP C[NH+](C)CC(C)(C)CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157939948 850007121 /nfs/dbraw/zinc/00/71/21/850007121.db2.gz BSBBZJAIGFVXGD-UHFFFAOYSA-N 2 0 355.508 0.568 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158247938 850028461 /nfs/dbraw/zinc/02/84/61/850028461.db2.gz CXRXYDGLCDPSRU-QWRGUYRKSA-N 2 0 350.385 0.645 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250511 850029136 /nfs/dbraw/zinc/02/91/36/850029136.db2.gz UMJRBQYACGLWMD-XMWNIVNYSA-N 2 0 355.426 0.758 20 0 FCADRP O=C([C@H]1C[C@@H](C(F)(F)F)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261124 850030251 /nfs/dbraw/zinc/03/02/51/850030251.db2.gz KUVARVRKNNEVGT-GHMZBOCLSA-N 2 0 358.368 0.239 20 0 FCADRP O=C(c1nc2c(s1)C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158293569 850033627 /nfs/dbraw/zinc/03/36/27/850033627.db2.gz YQWLQFRPJGLHLI-UHFFFAOYSA-N 2 0 359.459 0.115 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305366 850035027 /nfs/dbraw/zinc/03/50/27/850035027.db2.gz GUGAANMYDWJSIV-ARFHVFGLSA-N 2 0 362.499 0.184 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001158380125 850041544 /nfs/dbraw/zinc/04/15/44/850041544.db2.gz CMLCKQSJLDTBTE-ZLKJLUDKSA-N 2 0 351.369 0.480 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001158379536 850041605 /nfs/dbraw/zinc/04/16/05/850041605.db2.gz BQPIJUYTVOJRGW-QJPTWQEYSA-N 2 0 352.401 0.490 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001158381153 850042497 /nfs/dbraw/zinc/04/24/97/850042497.db2.gz YRZMAEXWOJIVIH-SQWLQELKSA-N 2 0 350.463 0.720 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380290 850042541 /nfs/dbraw/zinc/04/25/41/850042541.db2.gz OWPLJWBMBRZDAU-MGPQQGTHSA-N 2 0 355.483 0.045 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C13CC(C1)C[NH2+]3)C2 ZINC001158381035 850042807 /nfs/dbraw/zinc/04/28/07/850042807.db2.gz GWZMIZXJQJIPAP-GLEOKFKPSA-N 2 0 361.364 0.282 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)C2 ZINC001158384070 850043888 /nfs/dbraw/zinc/04/38/88/850043888.db2.gz QKDYODPPCICVPI-KAILVDNBSA-N 2 0 361.364 0.138 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C(C)(C)[NH2+]C)C2 ZINC001158384371 850044237 /nfs/dbraw/zinc/04/42/37/850044237.db2.gz VTSFSQOAOKONRZ-KGLIPLIRSA-N 2 0 351.369 0.528 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@]1(C)CC[NH2+]C1)C2 ZINC001158384477 850044728 /nfs/dbraw/zinc/04/47/28/850044728.db2.gz WNXASAMIYPMTQO-RBSFLKMASA-N 2 0 363.380 0.530 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001158389378 850045364 /nfs/dbraw/zinc/04/53/64/850045364.db2.gz BTUINILINVCCQN-BFHYXJOUSA-N 2 0 351.451 0.746 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001158403206 850046585 /nfs/dbraw/zinc/04/65/85/850046585.db2.gz BGGUKPUELZNBDU-LSDHHAIUSA-N 2 0 359.536 0.637 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001158495679 850055930 /nfs/dbraw/zinc/05/59/30/850055930.db2.gz CQNZRKLMBJHSAB-IEECTRCBSA-N 2 0 363.380 0.669 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001158513226 850058047 /nfs/dbraw/zinc/05/80/47/850058047.db2.gz KVQKJQHEDABWHO-MRXNPFEDSA-N 3 0 354.495 0.319 20 0 FCADRP CCOC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158582427 850061545 /nfs/dbraw/zinc/06/15/45/850061545.db2.gz NNZQKXGXIIZCMS-HNNXBMFYSA-N 2 0 353.488 0.988 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001158600751 850061993 /nfs/dbraw/zinc/06/19/93/850061993.db2.gz HDTMCIVXDJDIEN-ZDUSSCGKSA-N 2 0 363.487 0.925 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159029913 850092996 /nfs/dbraw/zinc/09/29/96/850092996.db2.gz MXTPBAXIPVJXFW-INIZCTEOSA-N 2 0 350.463 0.539 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]1(N)CCC[NH2+]C1)C2 ZINC001159481358 850118157 /nfs/dbraw/zinc/11/81/57/850118157.db2.gz LYMUYBFNZJEGGL-QRQLOZEOSA-N 2 0 350.507 0.274 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853934 850141319 /nfs/dbraw/zinc/14/13/19/850141319.db2.gz CJTSXNBCOLNEIF-PVAVHDDUSA-N 3 0 350.438 0.556 20 0 FCADRP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)O1 ZINC001160228077 850159012 /nfs/dbraw/zinc/15/90/12/850159012.db2.gz NTDBEXRGUDMAPL-RLFYNMQTSA-N 2 0 354.495 0.365 20 0 FCADRP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)C[NH2+]CCC[NH3+])C2)O1 ZINC001160228200 850160358 /nfs/dbraw/zinc/16/03/58/850160358.db2.gz PPSAOANEPPIVKF-MAUKXSAKSA-N 2 0 354.495 0.237 20 0 FCADRP CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001160270581 850163754 /nfs/dbraw/zinc/16/37/54/850163754.db2.gz FHENBWNHFZSCMR-OAHLLOKOSA-N 2 0 354.495 0.048 20 0 FCADRP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001160325424 850165883 /nfs/dbraw/zinc/16/58/83/850165883.db2.gz JPYPTENMDVRAFA-UONOGXRCSA-N 2 0 350.467 0.289 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001160390506 850170579 /nfs/dbraw/zinc/17/05/79/850170579.db2.gz BWGPGYVKUKPTFR-LSDHHAIUSA-N 2 0 354.470 0.479 20 0 FCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160536845 850179526 /nfs/dbraw/zinc/17/95/26/850179526.db2.gz BAFMLTPUMWSYGH-HNNXBMFYSA-N 2 0 357.520 0.344 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160548347 850180822 /nfs/dbraw/zinc/18/08/22/850180822.db2.gz GBHJSCZNQXIBPQ-JTQLQIEISA-N 2 0 359.352 0.603 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2ccc(Br)cc2)C[C@H]1O ZINC001160652375 850188883 /nfs/dbraw/zinc/18/88/83/850188883.db2.gz CGWFLHOVMPLQSG-LXTVHRRPSA-N 2 0 368.275 0.673 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650503 850188927 /nfs/dbraw/zinc/18/89/27/850188927.db2.gz XYXOXYOUSCALHO-CRWXNKLISA-N 2 0 358.458 0.018 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3nc4c(s3)C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160819612 850200955 /nfs/dbraw/zinc/20/09/55/850200955.db2.gz HLGUDXNLXSQAPW-PIGZYNQJSA-N 2 0 364.471 0.404 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)CC(F)(F)C1 ZINC001160971867 850216582 /nfs/dbraw/zinc/21/65/82/850216582.db2.gz CGDQRNKVQWZOGQ-BPNCWPANSA-N 2 0 350.369 0.294 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)CC[NH2+]1 ZINC001161016446 850220483 /nfs/dbraw/zinc/22/04/83/850220483.db2.gz ZZKOVMFFQAZWSM-UKRRQHHQSA-N 2 0 350.488 0.184 20 0 FCADRP [NH3+]CCN(CCNc1cccc(OCC[NH+]2CCCC2)n1)N(O)N=O ZINC001161092577 850229391 /nfs/dbraw/zinc/22/93/91/850229391.db2.gz VJYCQPVYJHNLPJ-UHFFFAOYSA-N 2 0 353.427 0.516 20 0 FCADRP O=C([C@H]1C[NH2+]CCN1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152169 850234861 /nfs/dbraw/zinc/23/48/61/850234861.db2.gz AEEIIEFYFFHYCU-LLVKDONJSA-N 2 0 358.368 0.142 20 0 FCADRP CC1(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@@]12c1ccccc1OC2=O ZINC001161162612 850236253 /nfs/dbraw/zinc/23/62/53/850236253.db2.gz FMFVCBOCEDAMPM-UGSOOPFHSA-N 2 0 363.483 0.874 20 0 FCADRP C[C@]1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161197715 850238646 /nfs/dbraw/zinc/23/86/46/850238646.db2.gz CTVBEEPWUOHMNO-IBGZPJMESA-N 2 0 352.523 0.537 20 0 FCADRP CC(C)(C)CN(C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001161259132 850244427 /nfs/dbraw/zinc/24/44/27/850244427.db2.gz XCKNSBVCVVCBSF-OAHLLOKOSA-N 2 0 350.507 0.729 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)C2CC[NH2+]CC2)n1 ZINC001161308751 850250578 /nfs/dbraw/zinc/25/05/78/850250578.db2.gz GOZYEKZSCGUHNI-ZIAGYGMSSA-N 2 0 351.426 0.826 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378249 850255463 /nfs/dbraw/zinc/25/54/63/850255463.db2.gz KYUZIQBGHBUSMN-SZVBFZGTSA-N 2 0 350.507 0.559 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161378858 850255957 /nfs/dbraw/zinc/25/59/57/850255957.db2.gz AGRYAWLDJQDLLP-GJZGRUSLSA-N 2 0 355.479 0.629 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)C2)CC1 ZINC001161377050 850256160 /nfs/dbraw/zinc/25/61/60/850256160.db2.gz DYQUBFAEVMTAGZ-HNNXBMFYSA-N 2 0 352.479 0.025 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376751 850256233 /nfs/dbraw/zinc/25/62/33/850256233.db2.gz CUEZOXHEGSBPKI-CABCVRRESA-N 2 0 354.495 0.330 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414664 850257911 /nfs/dbraw/zinc/25/79/11/850257911.db2.gz YIPPTFMLMGZFCW-YFKTTZPYSA-N 2 0 350.385 0.358 20 0 FCADRP C[NH+](C)CCN(C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449573 850259386 /nfs/dbraw/zinc/25/93/86/850259386.db2.gz OLVSSKBFHAYYEO-QZTJIDSGSA-N 3 0 351.539 0.203 20 0 FCADRP C[NH+](C)CCN(C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161449574 850259669 /nfs/dbraw/zinc/25/96/69/850259669.db2.gz OLVSSKBFHAYYEO-ROUUACIJSA-N 3 0 351.539 0.203 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161447714 850259805 /nfs/dbraw/zinc/25/98/05/850259805.db2.gz YMGFTBDEWJXODM-LNLFQRSKSA-N 3 0 352.523 0.677 20 0 FCADRP C[NH2+][C@H](C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479638 850262076 /nfs/dbraw/zinc/26/20/76/850262076.db2.gz QFSROTBERLRTHM-ZUMXRPEOSA-N 2 0 355.479 0.532 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H](n2cc(Br)cn2)C1)C1CC[NH2+]CC1 ZINC001161520486 850265879 /nfs/dbraw/zinc/26/58/79/850265879.db2.gz OXPWLWNQGGIPJE-CHWSQXEVSA-N 2 0 356.268 0.746 20 0 FCADRP O=C(N1CCn2ncc(Br)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161525974 850267809 /nfs/dbraw/zinc/26/78/09/850267809.db2.gz HDWGVBSRHDRDBD-QMTHXVAHSA-N 2 0 354.252 0.187 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001161530053 850269299 /nfs/dbraw/zinc/26/92/99/850269299.db2.gz PIDRGWZUHPANCK-VHDGCEQUSA-N 2 0 350.488 0.311 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1ncccc1S(=O)(=O)N1CCOCC1 ZINC001162293451 850306636 /nfs/dbraw/zinc/30/66/36/850306636.db2.gz ZNNLXYYAOGCKEC-UHFFFAOYSA-N 2 0 371.507 0.233 20 0 FCADRP COC(=O)[C@@H](Nc1nc(N2CCC(C[NH3+])CC2)ncc1C)C(C)(C)[NH3+] ZINC001162942062 850339736 /nfs/dbraw/zinc/33/97/36/850339736.db2.gz IJXWZHZBQDRXOL-CYBMUJFWSA-N 2 0 350.467 0.651 20 0 FCADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)N1 ZINC001163246895 850361540 /nfs/dbraw/zinc/36/15/40/850361540.db2.gz BWCCKNCITQBJGV-WBVHZDCISA-N 2 0 364.471 0.202 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834958 862123307 /nfs/dbraw/zinc/12/33/07/862123307.db2.gz KBIGVAOFTMSMKN-AEFFLSMTSA-N 2 0 350.463 0.802 20 0 FCADRP CC(C)N(CCC[NH3+])c1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001164121391 850393836 /nfs/dbraw/zinc/39/38/36/850393836.db2.gz JWEQLNVXIHBKRO-UHFFFAOYSA-N 2 0 355.508 0.727 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001164582415 850417677 /nfs/dbraw/zinc/41/76/77/850417677.db2.gz LBJDIKXRWOFHIJ-MCIONIFRSA-N 2 0 350.463 0.008 20 0 FCADRP NC(=O)[C@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC[NH2+]1 ZINC001165070895 850421993 /nfs/dbraw/zinc/42/19/93/850421993.db2.gz CGGHLOWRKCYGCU-CYBMUJFWSA-N 2 0 371.819 0.920 20 0 FCADRP NS(=O)(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])c(C(F)(F)F)c1 ZINC001167878089 850560100 /nfs/dbraw/zinc/56/01/00/850560100.db2.gz OTDLTVLWOSHNRV-UHFFFAOYSA-N 2 0 354.358 0.423 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001169111898 850605821 /nfs/dbraw/zinc/60/58/21/850605821.db2.gz QUHOEQHILUBDPT-BCDXTJNWSA-N 3 0 359.511 0.226 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCC[NH3+] ZINC001169170278 850608765 /nfs/dbraw/zinc/60/87/65/850608765.db2.gz UBQJUACGUOKXCE-CYBMUJFWSA-N 2 0 350.467 0.321 20 0 FCADRP C[C@@H]1O[C@@H](OCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001171629841 850689521 /nfs/dbraw/zinc/68/95/21/850689521.db2.gz WWWJTRNVGCNPRP-BPKBQXTESA-N 2 0 360.495 0.072 20 0 FCADRP C[C@@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1C(=O)OC(C)(C)C ZINC001173056749 850718369 /nfs/dbraw/zinc/71/83/69/850718369.db2.gz BMRJWPJUUWFZJD-OLZOCXBDSA-N 2 0 360.459 0.912 20 0 FCADRP CC[N@@H+]1CC[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C1 ZINC001173365208 850721685 /nfs/dbraw/zinc/72/16/85/850721685.db2.gz ZMOFBWFKRVEDFP-HRCADAONSA-N 2 0 355.508 0.049 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001180346648 851026586 /nfs/dbraw/zinc/02/65/86/851026586.db2.gz CXXFVIACYSPSQL-UHFFFAOYSA-N 3 0 355.571 0.744 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001181518661 851116746 /nfs/dbraw/zinc/11/67/46/851116746.db2.gz YHUGSDCJWFJRRH-YYAJDYIMSA-N 2 0 352.523 0.879 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[C@]1(F)Cl)CC2 ZINC001181657813 851126139 /nfs/dbraw/zinc/12/61/39/851126139.db2.gz CRYXGULJBHBEJX-CXAGYDPISA-N 2 0 374.888 0.608 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC[NH+](C(C)C)C1)CC2 ZINC001181976586 851143499 /nfs/dbraw/zinc/14/34/99/851143499.db2.gz XLQQCPRQSFLGHH-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001182736274 851194900 /nfs/dbraw/zinc/19/49/00/851194900.db2.gz GUAIOTZNJOVEDT-HNNXBMFYSA-N 2 0 356.511 0.212 20 0 FCADRP CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183636140 851257221 /nfs/dbraw/zinc/25/72/21/851257221.db2.gz VASNYGGHAIMYQO-MRXNPFEDSA-N 2 0 357.455 0.473 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278204939 862254327 /nfs/dbraw/zinc/25/43/27/862254327.db2.gz SSCONOUSKPZNQB-GOSISDBHSA-N 2 0 354.495 0.158 20 0 FCADRP COCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](COCCOC)C[C@H]12 ZINC001278208503 862255057 /nfs/dbraw/zinc/25/50/57/862255057.db2.gz XILGXHJQKACBLW-HZPDHXFCSA-N 2 0 355.479 0.156 20 0 FCADRP CCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188106897 851645394 /nfs/dbraw/zinc/64/53/94/851645394.db2.gz BQLWLVBYOLHCIY-ARFHVFGLSA-N 2 0 356.486 0.725 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189055649 851746090 /nfs/dbraw/zinc/74/60/90/851746090.db2.gz YNSLBLXTAKARFG-JKSUJKDBSA-N 2 0 357.520 0.296 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189484088 851795185 /nfs/dbraw/zinc/79/51/85/851795185.db2.gz BOXGPJPORKCDEG-LSDHHAIUSA-N 2 0 350.463 0.010 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189485427 851795599 /nfs/dbraw/zinc/79/55/99/851795599.db2.gz WZQJMHKFYGQXED-OKZBNKHCSA-N 2 0 355.523 0.894 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189922986 851842712 /nfs/dbraw/zinc/84/27/12/851842712.db2.gz IHCUWMLYVSZVGN-LSDHHAIUSA-N 2 0 350.463 0.010 20 0 FCADRP CC(=O)NCCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237410 851881262 /nfs/dbraw/zinc/88/12/62/851881262.db2.gz BLWMCJWKSCUFSK-DJIMGWMZSA-N 2 0 354.495 0.012 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CCC4)CC3)[C@@H]2C1 ZINC001278471347 862341975 /nfs/dbraw/zinc/34/19/75/862341975.db2.gz NSWBUSZBHLWJOO-IAGOWNOFSA-N 2 0 351.491 0.919 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192990243 852331990 /nfs/dbraw/zinc/33/19/90/852331990.db2.gz WNXMQGXNTPOCKJ-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)s1 ZINC001193754830 852482046 /nfs/dbraw/zinc/48/20/46/852482046.db2.gz BYALAUKODFROBN-IIAWOOMASA-N 2 0 352.504 0.761 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832942 852658832 /nfs/dbraw/zinc/65/88/32/852658832.db2.gz WTARIEISJXOMLI-YLADIXGZSA-N 2 0 355.454 0.151 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006507 852692119 /nfs/dbraw/zinc/69/21/19/852692119.db2.gz KCFMEXPAQUGHSN-HZPDHXFCSA-N 2 0 357.495 0.075 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001195677228 852811639 /nfs/dbraw/zinc/81/16/39/852811639.db2.gz OQRQCNWHUVQVKD-BRWVUGGUSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(=O)cc(C(N)=O)o1 ZINC001196201179 852912685 /nfs/dbraw/zinc/91/26/85/852912685.db2.gz NMLGCAXQSSKVSV-UHFFFAOYSA-N 2 0 352.435 0.084 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1O ZINC001197826221 853168598 /nfs/dbraw/zinc/16/85/98/853168598.db2.gz RDGHIMDXSQJNIL-RRFJBIMHSA-N 2 0 363.449 0.551 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198047476 853211295 /nfs/dbraw/zinc/21/12/95/853211295.db2.gz OBJCVJPSBHIQPO-CHWSQXEVSA-N 2 0 355.401 0.459 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001199018144 853355238 /nfs/dbraw/zinc/35/52/38/853355238.db2.gz PQURVNZURLOVTH-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cncc(OCC2CCOCC2)n1 ZINC001199165670 853383689 /nfs/dbraw/zinc/38/36/89/853383689.db2.gz ZTIQIEJADQHMPS-UHFFFAOYSA-N 2 0 350.423 0.357 20 0 FCADRP CC[N@@H+]1CCO[C@@H]2CN(C(=S)NCCCN3CCOCC3)C[C@@H]2C1 ZINC001199942604 853464612 /nfs/dbraw/zinc/46/46/12/853464612.db2.gz PJOLGVQDQGMDHE-JKSUJKDBSA-N 2 0 356.536 0.236 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC(C[NH2+]CCO)CC2)CC1 ZINC001205321507 853603630 /nfs/dbraw/zinc/60/36/30/853603630.db2.gz BWSPDYLLNUJGQO-MSOLQXFVSA-N 2 0 353.507 0.554 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205519627 853619951 /nfs/dbraw/zinc/61/99/51/853619951.db2.gz XZVBKNVHZAYZRZ-DLBZAZTESA-N 2 0 353.507 0.648 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001207231597 853793212 /nfs/dbraw/zinc/79/32/12/853793212.db2.gz MEHOMSPQMBHYOZ-OWCLPIDISA-N 2 0 356.486 0.725 20 0 FCADRP O=C([C@H]1C[N@H+](CC2CC[NH2+]CC2)CC12CCOCC2)N1CCOCC1 ZINC001207435257 853811916 /nfs/dbraw/zinc/81/19/16/853811916.db2.gz BMFCSFKZOYPPND-QGZVFWFLSA-N 2 0 351.491 0.573 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568214 853827882 /nfs/dbraw/zinc/82/78/82/853827882.db2.gz VRPAYJLDLATYGT-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682346 853841048 /nfs/dbraw/zinc/84/10/48/853841048.db2.gz LAHHCBTZASPXIC-IAGOWNOFSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001208070197 853890868 /nfs/dbraw/zinc/89/08/68/853890868.db2.gz GEZBJCGHAGCZLN-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP C[NH+](C)CCN1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001208127921 853898736 /nfs/dbraw/zinc/89/87/36/853898736.db2.gz ZNDPCHHITIXERL-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591453 853957269 /nfs/dbraw/zinc/95/72/69/853957269.db2.gz XBHUQVZCCPZBGB-HLLBOEOZSA-N 2 0 354.495 0.060 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208885669 853979692 /nfs/dbraw/zinc/97/96/92/853979692.db2.gz VWXSDILHWVIFRR-KRWDZBQOSA-N 2 0 350.507 0.849 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210032744 854071101 /nfs/dbraw/zinc/07/11/01/854071101.db2.gz ADOWYKDNGCQJCN-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179745 854087838 /nfs/dbraw/zinc/08/78/38/854087838.db2.gz QXFICZHAQHGNHX-ZTFGCOKTSA-N 2 0 353.507 0.552 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298276 854097147 /nfs/dbraw/zinc/09/71/47/854097147.db2.gz NLLCOBYNODKYHL-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298914 854098298 /nfs/dbraw/zinc/09/82/98/854098298.db2.gz UETLZEAFYYVNAF-BRWVUGGUSA-N 2 0 359.511 0.035 20 0 FCADRP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210299111 854098679 /nfs/dbraw/zinc/09/86/79/854098679.db2.gz YBFWKALDRHADIM-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210514490 854115326 /nfs/dbraw/zinc/11/53/26/854115326.db2.gz UNYVMUJCRKIVLQ-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1C ZINC001211046984 854150529 /nfs/dbraw/zinc/15/05/29/854150529.db2.gz XWYRGFAVRYGUCS-JFIYKMOQSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094886 854157277 /nfs/dbraw/zinc/15/72/77/854157277.db2.gz WVXUYVOWZKAYGS-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458557 854486452 /nfs/dbraw/zinc/48/64/52/854486452.db2.gz JYVPKDZKTKIKBF-ARFHVFGLSA-N 2 0 357.495 0.195 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495651 854501754 /nfs/dbraw/zinc/50/17/54/854501754.db2.gz MCXUQXHZZSGBKT-IAGOWNOFSA-N 2 0 350.463 0.760 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327837 854576346 /nfs/dbraw/zinc/57/63/46/854576346.db2.gz UDOIJOYJTUQOGS-MWDXBVQZSA-N 2 0 357.495 0.195 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759302 854754937 /nfs/dbraw/zinc/75/49/37/854754937.db2.gz FXLQWTKURKYQGW-BZUAXINKSA-N 2 0 356.511 0.401 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974340 854850625 /nfs/dbraw/zinc/85/06/25/854850625.db2.gz UVBNQMQWGOLOSP-IAGOWNOFSA-N 2 0 357.495 0.077 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)s1 ZINC001214344788 854928300 /nfs/dbraw/zinc/92/83/00/854928300.db2.gz YMEPSTBQUIPZHL-RAIGVLPGSA-N 2 0 366.491 0.316 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636029 854984012 /nfs/dbraw/zinc/98/40/12/854984012.db2.gz AQWIVUFRHHVNHI-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646303 854985700 /nfs/dbraw/zinc/98/57/00/854985700.db2.gz PBIXHDLBSNPGDH-HYVNUMGLSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001214754918 855002626 /nfs/dbraw/zinc/00/26/26/855002626.db2.gz LIPNUNLFYRLSGF-OWCLPIDISA-N 2 0 356.486 0.725 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214855659 855023339 /nfs/dbraw/zinc/02/33/39/855023339.db2.gz JXQHDJHVFFFRCK-MZMPZRCHSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214968975 855042271 /nfs/dbraw/zinc/04/22/71/855042271.db2.gz GKOCNGISCOARMQ-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058207 855060340 /nfs/dbraw/zinc/06/03/40/855060340.db2.gz FFFWYHISVDPEHC-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215217624 855081989 /nfs/dbraw/zinc/08/19/89/855081989.db2.gz PJQCACSFECVKCR-KYJSFNMBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001215234462 855087527 /nfs/dbraw/zinc/08/75/27/855087527.db2.gz WMOQYEPYTBJAOO-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215381375 855106982 /nfs/dbraw/zinc/10/69/82/855106982.db2.gz VCECAWXRJCBEIM-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215414562 855111976 /nfs/dbraw/zinc/11/19/76/855111976.db2.gz XFVQVCSKYTVPQW-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423847 855112851 /nfs/dbraw/zinc/11/28/51/855112851.db2.gz VKBMEBSLODKIRJ-OWCLPIDISA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001215421630 855113160 /nfs/dbraw/zinc/11/31/60/855113160.db2.gz JXWXGTVZUGNNCO-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001215453833 855117342 /nfs/dbraw/zinc/11/73/42/855117342.db2.gz UMCUYOQVROZHKM-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)Nc1nccs1 ZINC001215460960 855118295 /nfs/dbraw/zinc/11/82/95/855118295.db2.gz LDFVDSVLVXFFSP-FRRDWIJNSA-N 2 0 353.492 0.858 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3nccs3)C2)C1 ZINC001215539888 855126041 /nfs/dbraw/zinc/12/60/41/855126041.db2.gz BNQKLOPEPSLQQY-MGPQQGTHSA-N 2 0 365.503 0.860 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1)[NH+](C)C ZINC001215571132 855129098 /nfs/dbraw/zinc/12/90/98/855129098.db2.gz AEUDVDXCDNHAIF-BNOWGMLFSA-N 2 0 351.451 0.698 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216226171 855180285 /nfs/dbraw/zinc/18/02/85/855180285.db2.gz OMCAMMBTGYGOMQ-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229931 855181758 /nfs/dbraw/zinc/18/17/58/855181758.db2.gz SKUOYAPUKQAKTE-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405177 855199333 /nfs/dbraw/zinc/19/93/33/855199333.db2.gz HEOAIZVBVYKBJQ-OWCLPIDISA-N 2 0 350.507 0.679 20 0 FCADRP CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410158 855199935 /nfs/dbraw/zinc/19/99/35/855199935.db2.gz RKVHYCLOPLBCJA-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410107 855200323 /nfs/dbraw/zinc/20/03/23/855200323.db2.gz QVWWDRRTHNUPOR-BZUAXINKSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216459215 855204782 /nfs/dbraw/zinc/20/47/82/855204782.db2.gz RNDGYOBAVXYQLO-BRWVUGGUSA-N 2 0 351.495 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216464890 855205609 /nfs/dbraw/zinc/20/56/09/855205609.db2.gz VEXBDSCBOWRECE-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001216511019 855209974 /nfs/dbraw/zinc/20/99/74/855209974.db2.gz IUVCAUSGERWBIA-ARFHVFGLSA-N 2 0 361.552 0.836 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757887 855234023 /nfs/dbraw/zinc/23/40/23/855234023.db2.gz PXKZPLZANGSATN-HZPDHXFCSA-N 2 0 359.536 0.732 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001216846675 855257648 /nfs/dbraw/zinc/25/76/48/855257648.db2.gz STAMLTLVTUFEJK-OAGGEKHMSA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216851820 855259627 /nfs/dbraw/zinc/25/96/27/855259627.db2.gz JBPZDLGFLYMPTB-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853887 855260994 /nfs/dbraw/zinc/26/09/94/855260994.db2.gz NUOMEZCGSKDNGW-OWCLPIDISA-N 2 0 356.511 0.304 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217950326 855385011 /nfs/dbraw/zinc/38/50/11/855385011.db2.gz YROJHOFDACJRSV-ZJUUUORDSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218133978 855399210 /nfs/dbraw/zinc/39/92/10/855399210.db2.gz GHTBQXSZSKSSSH-JGPRNRPPSA-N 2 0 350.419 0.138 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001218212311 855407193 /nfs/dbraw/zinc/40/71/93/855407193.db2.gz WVRCCVVGJNZXCI-NSHDSACASA-N 2 0 352.435 0.624 20 0 FCADRP CCOC(=O)c1c(C)nsc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218548465 855437482 /nfs/dbraw/zinc/43/74/82/855437482.db2.gz ZUZSCKSOLZKIRD-NSHDSACASA-N 2 0 355.464 0.317 20 0 FCADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001218554524 855438255 /nfs/dbraw/zinc/43/82/55/855438255.db2.gz KVGWSDNUNUNJJV-QMMMGPOBSA-N 2 0 357.436 0.074 20 0 FCADRP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218563951 855440832 /nfs/dbraw/zinc/44/08/32/855440832.db2.gz VBPDJBCWJWMIFV-LBPRGKRZSA-N 2 0 352.460 0.501 20 0 FCADRP O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218697716 855466480 /nfs/dbraw/zinc/46/64/80/855466480.db2.gz BWFAJPTTYMGODS-GFCCVEGCSA-N 2 0 351.838 0.319 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218723655 855471547 /nfs/dbraw/zinc/47/15/47/855471547.db2.gz WQYJLGFYEDGYDA-RYQLBKOJSA-N 2 0 353.507 0.791 20 0 FCADRP CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)c2C1 ZINC001218754476 855475519 /nfs/dbraw/zinc/47/55/19/855475519.db2.gz RYFFECCTNAJFQV-CYBMUJFWSA-N 2 0 365.503 0.367 20 0 FCADRP CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1Cl ZINC001218873460 855489295 /nfs/dbraw/zinc/48/92/95/855489295.db2.gz KXWWKJOXLLAQNK-AWEZNQCLSA-N 2 0 353.854 0.987 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CCSC12C[NH2+]C2 ZINC001218880189 855490329 /nfs/dbraw/zinc/49/03/29/855490329.db2.gz SZUVMLWUUXINRA-CQSZACIVSA-N 2 0 360.483 0.766 20 0 FCADRP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218894404 855492632 /nfs/dbraw/zinc/49/26/32/855492632.db2.gz PIXHONVEZYMQEZ-HNNXBMFYSA-N 2 0 354.476 0.639 20 0 FCADRP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218894400 855493092 /nfs/dbraw/zinc/49/30/92/855493092.db2.gz PAAMLKOKPHQGHQ-CXAGYDPISA-N 2 0 366.487 0.511 20 0 FCADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1 ZINC001218902340 855493944 /nfs/dbraw/zinc/49/39/44/855493944.db2.gz YZAUEWHCEBOGQV-ZDUSSCGKSA-N 2 0 372.491 0.734 20 0 FCADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218901962 855494123 /nfs/dbraw/zinc/49/41/23/855494123.db2.gz RKGGJRQHSIQARY-LBPRGKRZSA-N 2 0 368.459 0.113 20 0 FCADRP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218927579 855497776 /nfs/dbraw/zinc/49/77/76/855497776.db2.gz IXGIAGMGZSVZQF-JTQLQIEISA-N 2 0 351.382 0.894 20 0 FCADRP COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218935914 855499450 /nfs/dbraw/zinc/49/94/50/855499450.db2.gz XUKAQEMSQLORCO-NSHDSACASA-N 2 0 355.416 0.218 20 0 FCADRP NS(=O)(=O)c1cc(Cl)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001218962419 855503468 /nfs/dbraw/zinc/50/34/68/855503468.db2.gz MFSUMKZOBLTHNM-SECBINFHSA-N 2 0 355.247 0.646 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218982947 855506567 /nfs/dbraw/zinc/50/65/67/855506567.db2.gz GUCTVCIZJVNWJZ-HNNXBMFYSA-N 2 0 354.476 0.617 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(O)cc1Br ZINC001219009214 855512169 /nfs/dbraw/zinc/51/21/69/855512169.db2.gz RJSAUMOZLAHTJS-GFCCVEGCSA-N 2 0 357.252 0.844 20 0 FCADRP COc1ccc(Br)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1C(N)=O ZINC001219079132 855540365 /nfs/dbraw/zinc/54/03/65/855540365.db2.gz VIQCDVYEOGIPKQ-VIFPVBQESA-N 2 0 373.251 0.951 20 0 FCADRP [NH3+]CCNCC(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193787 855580651 /nfs/dbraw/zinc/58/06/51/855580651.db2.gz MVYIPRIKSCPGTL-UHFFFAOYSA-N 2 0 359.396 0.597 20 0 FCADRP [NH3+]CCOCCOCC(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290443 855618252 /nfs/dbraw/zinc/61/82/52/855618252.db2.gz CBRSAAIFOUIDPF-UHFFFAOYSA-N 2 0 354.426 0.684 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1c(F)cccc1OC1COC1 ZINC001219382031 855652739 /nfs/dbraw/zinc/65/27/39/855652739.db2.gz JGTQRNQFCUIETO-AWEZNQCLSA-N 2 0 352.410 0.292 20 0 FCADRP O=C(Nc1ccc(Br)c2c1C(=O)NC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219444708 855673004 /nfs/dbraw/zinc/67/30/04/855673004.db2.gz ZMGNJBZQANROLJ-VIFPVBQESA-N 2 0 365.231 0.440 20 0 FCADRP CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001219595644 855725250 /nfs/dbraw/zinc/72/52/50/855725250.db2.gz JMQQBTIOQFQIEC-AWEZNQCLSA-N 2 0 371.503 0.871 20 0 FCADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635212 855747594 /nfs/dbraw/zinc/74/75/94/855747594.db2.gz WNXMQGXNTPOCKJ-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764858 855803006 /nfs/dbraw/zinc/80/30/06/855803006.db2.gz NLJAUCMSIMOONZ-ILXRZTDVSA-N 2 0 354.495 0.236 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219773193 855808674 /nfs/dbraw/zinc/80/86/74/855808674.db2.gz NDERNXAITLJPHQ-CQSZACIVSA-N 2 0 355.504 0.049 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219800815 855818886 /nfs/dbraw/zinc/81/88/86/855818886.db2.gz NTDKTWQTWRCWDV-JKSUJKDBSA-N 3 0 350.507 0.335 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219802503 855820362 /nfs/dbraw/zinc/82/03/62/855820362.db2.gz QXFICGRXOOBYAF-IKGGRYGDSA-N 2 0 353.507 0.837 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801164 855820937 /nfs/dbraw/zinc/82/09/37/855820937.db2.gz USRDVJOZVHZHNG-ULQDDVLXSA-N 2 0 353.507 0.920 20 0 FCADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219823500 855831566 /nfs/dbraw/zinc/83/15/66/855831566.db2.gz QUSRFQFDRGKNGT-CHWSQXEVSA-N 2 0 369.512 0.423 20 0 FCADRP Cn1cc(Br)cc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1=O ZINC001219881371 855859740 /nfs/dbraw/zinc/85/97/40/855859740.db2.gz WPORLSWNTSGDLI-NSHDSACASA-N 2 0 369.263 0.961 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903251 855871836 /nfs/dbraw/zinc/87/18/36/855871836.db2.gz WNAIPDXGMIJNRN-IKGGRYGDSA-N 2 0 355.523 0.819 20 0 FCADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219998769 855912264 /nfs/dbraw/zinc/91/22/64/855912264.db2.gz BESICWOVGKUWAZ-INIZCTEOSA-N 2 0 368.503 0.160 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039363 855929560 /nfs/dbraw/zinc/92/95/60/855929560.db2.gz BLEHZWUWGLHEHC-FVRSWCFKSA-N 3 0 356.511 0.801 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CCC([NH3+])CC1 ZINC001220039840 855929645 /nfs/dbraw/zinc/92/96/45/855929645.db2.gz VNHRWJZJUPYLQG-OFKYTCTHSA-N 2 0 351.451 0.378 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001220230695 856023057 /nfs/dbraw/zinc/02/30/57/856023057.db2.gz OQRQCNWHUVQVKD-IKGGRYGDSA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001220318937 856064319 /nfs/dbraw/zinc/06/43/19/856064319.db2.gz BZZJTZCLHAQWII-BLLLJJGKSA-N 2 0 351.476 0.194 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)O1 ZINC001220481553 856147561 /nfs/dbraw/zinc/14/75/61/856147561.db2.gz KIEOKPAFEKGUCO-BRXULGCHSA-N 2 0 359.467 0.277 20 0 FCADRP CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001220489644 856151886 /nfs/dbraw/zinc/15/18/86/856151886.db2.gz CTFTWUNZTJAOMF-MRXNPFEDSA-N 2 0 365.499 0.971 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]C1 ZINC001220521774 856165053 /nfs/dbraw/zinc/16/50/53/856165053.db2.gz OGRHRTJRLSLNKD-AWEZNQCLSA-N 2 0 353.369 0.761 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC[NH2+]C1 ZINC001220523306 856166282 /nfs/dbraw/zinc/16/62/82/856166282.db2.gz LWEKHSQAFZIPAM-GFCCVEGCSA-N 2 0 355.435 0.362 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)c1ccc(Br)cc1 ZINC001220605713 856203006 /nfs/dbraw/zinc/20/30/06/856203006.db2.gz WLXGYSPTUZOLOF-CHWSQXEVSA-N 2 0 352.236 0.858 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1ccc(Br)cc1 ZINC001220607052 856203724 /nfs/dbraw/zinc/20/37/24/856203724.db2.gz HKGCFSPQIOYZBX-ZLDLUXBVSA-N 2 0 353.264 0.517 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607302 856204924 /nfs/dbraw/zinc/20/49/24/856204924.db2.gz JGTIKTXIKPQFNJ-YPMHNXCESA-N 2 0 367.247 0.043 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607746 856204983 /nfs/dbraw/zinc/20/49/83/856204983.db2.gz OLGONSDWZHHTGZ-STQMWFEESA-N 3 0 353.264 0.374 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220678678 856237588 /nfs/dbraw/zinc/23/75/88/856237588.db2.gz IJYWJSQEIGGZLH-CBBWQLFWSA-N 2 0 355.504 0.190 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCOc1ccccc1C(N)=O ZINC001220719040 856260578 /nfs/dbraw/zinc/26/05/78/856260578.db2.gz PRVHTSOWQPDZMY-HNNXBMFYSA-N 2 0 350.463 0.776 20 0 FCADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CCCCC1 ZINC001220731178 856268023 /nfs/dbraw/zinc/26/80/23/856268023.db2.gz GYNNQJLSCRARGU-JKSUJKDBSA-N 2 0 354.495 0.365 20 0 FCADRP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CCCCC1 ZINC001220731175 856268259 /nfs/dbraw/zinc/26/82/59/856268259.db2.gz GYNNQJLSCRARGU-CVEARBPZSA-N 2 0 354.495 0.365 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])CC(C)(C)CC[NH3+] ZINC001220766347 856288397 /nfs/dbraw/zinc/28/83/97/856288397.db2.gz QNRMSXJJXGRCFZ-RDBSUJKOSA-N 2 0 356.511 0.815 20 0 FCADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220772199 856292028 /nfs/dbraw/zinc/29/20/28/856292028.db2.gz KMSZJLTWMXIYBS-GJZGRUSLSA-N 2 0 353.467 0.116 20 0 FCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CCC2(CC1)OCCO2 ZINC001220803000 856307919 /nfs/dbraw/zinc/30/79/19/856307919.db2.gz AXVJQRVBYYLPKX-MNOVXSKESA-N 2 0 351.369 0.658 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC)C[NH2+]C1 ZINC001220828517 856328094 /nfs/dbraw/zinc/32/80/94/856328094.db2.gz PKSCKXWKEJVBTB-LBPRGKRZSA-N 2 0 355.435 0.362 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220870872 856350455 /nfs/dbraw/zinc/35/04/55/856350455.db2.gz QHJOYVGZIYRXSV-CYBMUJFWSA-N 3 0 356.268 0.077 20 0 FCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001220898560 856363271 /nfs/dbraw/zinc/36/32/71/856363271.db2.gz NOKHUHUAQIDSPP-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056095 856438862 /nfs/dbraw/zinc/43/88/62/856438862.db2.gz DQRAPCXVEPXNCL-JKQORVJESA-N 2 0 354.495 0.236 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068393 856447168 /nfs/dbraw/zinc/44/71/68/856447168.db2.gz WRSKLHWCPXPRIH-RCZWDNKTSA-N 2 0 357.495 0.388 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221081202 856452911 /nfs/dbraw/zinc/45/29/11/856452911.db2.gz FUNKJSLFLUDCRK-KURKYZTESA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001221154509 856488030 /nfs/dbraw/zinc/48/80/30/856488030.db2.gz PJZUJXKYYYRTFY-MSOLQXFVSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001221155095 856488169 /nfs/dbraw/zinc/48/81/69/856488169.db2.gz ZPXMHNKZOQYING-KSZLIROESA-N 2 0 353.507 0.840 20 0 FCADRP C[NH2+][C@@H](C)C(=O)N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341001 856552651 /nfs/dbraw/zinc/55/26/51/856552651.db2.gz LATJREMAZGGHSQ-JSGCOSHPSA-N 3 0 365.503 0.884 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555549 856604554 /nfs/dbraw/zinc/60/45/54/856604554.db2.gz MVGQZRHBRLNXTM-FGTMMUONSA-N 2 0 351.491 0.524 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555550 856604641 /nfs/dbraw/zinc/60/46/41/856604641.db2.gz MVGQZRHBRLNXTM-KZNAEPCWSA-N 2 0 351.491 0.524 20 0 FCADRP CCOC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1 ZINC001221950506 856745535 /nfs/dbraw/zinc/74/55/35/856745535.db2.gz LGLMAKMYTAZLQB-GPQLOAJWSA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)(C)OC(=O)NCCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520819 856847885 /nfs/dbraw/zinc/84/78/85/856847885.db2.gz KUEKHJGOJFMMDR-SFHVURJKSA-N 2 0 352.479 0.703 20 0 FCADRP CC(C)(C)OC(=O)NCCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520818 856848147 /nfs/dbraw/zinc/84/81/47/856848147.db2.gz KUEKHJGOJFMMDR-GOSISDBHSA-N 2 0 352.479 0.703 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515698 856848327 /nfs/dbraw/zinc/84/83/27/856848327.db2.gz YALJNRXWLQWKAO-UHFFFAOYSA-N 2 0 363.531 0.973 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387888 856911995 /nfs/dbraw/zinc/91/19/95/856911995.db2.gz OXOIDPVGIWZOMH-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP COCCOCC[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223571074 856925705 /nfs/dbraw/zinc/92/57/05/856925705.db2.gz YCTFWDNSRSRJOS-NVXWUHKLSA-N 2 0 357.495 0.197 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223962494 856953540 /nfs/dbraw/zinc/95/35/40/856953540.db2.gz QSGNARVQIALCMC-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129604 856961456 /nfs/dbraw/zinc/96/14/56/856961456.db2.gz IZCSUZDMZMHDEP-ZACQAIPSSA-N 2 0 350.507 0.728 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129173 856961565 /nfs/dbraw/zinc/96/15/65/856961565.db2.gz GBCBQYGPOATQNV-PMPSAXMXSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131427 856961679 /nfs/dbraw/zinc/96/16/79/856961679.db2.gz ZKRDCWWIUUUPHV-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224139863 856962266 /nfs/dbraw/zinc/96/22/66/856962266.db2.gz DVQSSVYQCALBFZ-KURKYZTESA-N 2 0 353.507 0.914 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153047 856963205 /nfs/dbraw/zinc/96/32/05/856963205.db2.gz GQHMZSBUNKLUSP-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001224233102 856970228 /nfs/dbraw/zinc/97/02/28/856970228.db2.gz ISPUUDVDIXBOPU-WBVHZDCISA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001226564976 857109556 /nfs/dbraw/zinc/10/95/56/857109556.db2.gz RVXPMNKGJYYHTE-ARFHVFGLSA-N 2 0 356.486 0.962 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226615566 857115281 /nfs/dbraw/zinc/11/52/81/857115281.db2.gz YHLQUHJSSJQQHR-MCIONIFRSA-N 2 0 353.467 0.073 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001226831552 857127846 /nfs/dbraw/zinc/12/78/46/857127846.db2.gz SPDPBKWJNFEPIJ-RBSFLKMASA-N 2 0 350.463 0.293 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001227158338 857146467 /nfs/dbraw/zinc/14/64/67/857146467.db2.gz GCRHAYHNDLGCHX-CHWSQXEVSA-N 2 0 352.483 0.356 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001227166129 857146536 /nfs/dbraw/zinc/14/65/36/857146536.db2.gz SOSOLGDODSJYIB-CHWSQXEVSA-N 2 0 355.483 0.189 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001228365755 857206172 /nfs/dbraw/zinc/20/61/72/857206172.db2.gz IPYLJDLSXSLHTK-VXGBXAGGSA-N 2 0 352.401 0.634 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001228377472 857207355 /nfs/dbraw/zinc/20/73/55/857207355.db2.gz SPZOXWULVLMXSV-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709516 857283601 /nfs/dbraw/zinc/28/36/01/857283601.db2.gz GSNUTBJHOWVJJT-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229837743 857289252 /nfs/dbraw/zinc/28/92/52/857289252.db2.gz QXMXNXROEWEJSR-BFHYXJOUSA-N 2 0 355.483 0.319 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCC ZINC001229860105 857290642 /nfs/dbraw/zinc/29/06/42/857290642.db2.gz MAOOSRLMPAZHKA-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001229852373 857290722 /nfs/dbraw/zinc/29/07/22/857290722.db2.gz FQMZDRRCAUKBAC-RBSFLKMASA-N 2 0 352.479 0.541 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147732 857308322 /nfs/dbraw/zinc/30/83/22/857308322.db2.gz NVNWHRHIHIBXJL-HUUCEWRRSA-N 2 0 360.524 0.039 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@H]1COCCN1)C2 ZINC001235324788 857421812 /nfs/dbraw/zinc/42/18/12/857421812.db2.gz KXLVMYLQZZPNJQ-TXPKVOOTSA-N 2 0 351.491 0.620 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)C2 ZINC001235340032 857421862 /nfs/dbraw/zinc/42/18/62/857421862.db2.gz XZRNJNQSWNZDJX-NPSOMJIGSA-N 2 0 353.463 0.842 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@@H]1COCCN1)C2 ZINC001235324784 857422005 /nfs/dbraw/zinc/42/20/05/857422005.db2.gz KXLVMYLQZZPNJQ-JTDSTZFVSA-N 2 0 351.491 0.620 20 0 FCADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)C[N@H+](CCCC[NH3+])C2 ZINC001235555239 857427365 /nfs/dbraw/zinc/42/73/65/857427365.db2.gz QSASSKCEXLPJGM-INIZCTEOSA-N 2 0 351.495 0.407 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccnc(Br)c1 ZINC001236307229 857437906 /nfs/dbraw/zinc/43/79/06/857437906.db2.gz DNADUTBSSYNGOO-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1nc(Br)cs1 ZINC001236309363 857437920 /nfs/dbraw/zinc/43/79/20/857437920.db2.gz LZGRCTCOIGDNPG-UHFFFAOYSA-N 2 0 364.313 0.521 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c2cc[nH]c2ncc1Cl ZINC001236310399 857438842 /nfs/dbraw/zinc/43/88/42/857438842.db2.gz ZWWZZVPSNOWPKM-UHFFFAOYSA-N 2 0 352.870 0.784 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c2ncnc(Cl)c12 ZINC001236311586 857438856 /nfs/dbraw/zinc/43/88/56/857438856.db2.gz USUXRAMNIXZBFJ-UHFFFAOYSA-N 2 0 353.858 0.179 20 0 FCADRP CCOC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236311481 857439059 /nfs/dbraw/zinc/43/90/59/857439059.db2.gz SCDWTGKFWBHYMV-UHFFFAOYSA-N 2 0 350.463 0.479 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ncccc1Br ZINC001236311922 857439926 /nfs/dbraw/zinc/43/99/26/857439926.db2.gz LHESBSOAIVLXCX-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP COc1nc(OC)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1C ZINC001236316944 857440622 /nfs/dbraw/zinc/44/06/22/857440622.db2.gz WKMDCZWCQGPNFM-UHFFFAOYSA-N 2 0 353.467 0.023 20 0 FCADRP C[N@@H+](Cc1ccc(Br)cc1N1CC[NH+](C)CC1)C[C@@H](O)CO ZINC001237093882 857448540 /nfs/dbraw/zinc/44/85/40/857448540.db2.gz HSTZHPIANTVCFB-OAHLLOKOSA-N 2 0 372.307 0.986 20 0 FCADRP CC(=O)Nc1cccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238239703 857465233 /nfs/dbraw/zinc/46/52/33/857465233.db2.gz FPFIIIBADLIFNF-HNNXBMFYSA-N 2 0 366.487 0.798 20 0 FCADRP COc1cccc(C2(CNS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001238824761 857481354 /nfs/dbraw/zinc/48/13/54/857481354.db2.gz NFEHRPMSUYBXRG-MRXNPFEDSA-N 2 0 353.488 0.598 20 0 FCADRP COc1cccc(C2(CNS(=O)(=O)[C@H]3CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001238824750 857481567 /nfs/dbraw/zinc/48/15/67/857481567.db2.gz NFEHRPMSUYBXRG-INIZCTEOSA-N 2 0 353.488 0.598 20 0 FCADRP COC(=O)c1ccc(CS(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001238880185 857485513 /nfs/dbraw/zinc/48/55/13/857485513.db2.gz XLVFNSKOIDXBDC-UHFFFAOYSA-N 2 0 357.476 0.611 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001238879215 857485677 /nfs/dbraw/zinc/48/56/77/857485677.db2.gz JOKIVCLVQZRVBA-UHFFFAOYSA-N 2 0 369.447 0.038 20 0 FCADRP CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097811 857513728 /nfs/dbraw/zinc/51/37/28/857513728.db2.gz YVIYBBFSEJWVIQ-UHFFFAOYSA-N 2 0 373.479 0.087 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502807 862920311 /nfs/dbraw/zinc/92/03/11/862920311.db2.gz XTBTXQCZWQQYQR-ZACQAIPSSA-N 2 0 358.552 0.778 20 0 FCADRP COC1CC[NH+](C2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC001239143560 857522351 /nfs/dbraw/zinc/52/23/51/857522351.db2.gz HIBRILDQPQHXJY-UHFFFAOYSA-N 2 0 359.536 0.891 20 0 FCADRP COc1ccc(Cl)cc1NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239294904 857525838 /nfs/dbraw/zinc/52/58/38/857525838.db2.gz DIXNSQRWSMOUPU-UHFFFAOYSA-N 2 0 371.869 0.996 20 0 FCADRP S=C(NCCCN1CCOCC1)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364438 857526890 /nfs/dbraw/zinc/52/68/90/857526890.db2.gz XYAMDNMLPDIFHU-HNNXBMFYSA-N 2 0 355.552 0.047 20 0 FCADRP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001279504810 862923376 /nfs/dbraw/zinc/92/33/76/862923376.db2.gz JCAPZLNOUGOITA-VHKIVQRHSA-N 2 0 353.507 0.912 20 0 FCADRP O[C@H](CNc1cc(F)ccc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245973446 857562224 /nfs/dbraw/zinc/56/22/24/857562224.db2.gz KVPKWQFFHMMIET-HNNXBMFYSA-N 2 0 352.454 0.513 20 0 FCADRP O[C@@H](CNC1(c2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000521 857562794 /nfs/dbraw/zinc/56/27/94/857562794.db2.gz PRJKOTDUFUPJBC-QGZVFWFLSA-N 2 0 351.466 0.860 20 0 FCADRP CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246004382 857562860 /nfs/dbraw/zinc/56/28/60/857562860.db2.gz CIQJXNSOJCRGMF-GJZGRUSLSA-N 2 0 353.463 0.786 20 0 FCADRP O[C@H](CNC1(c2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246005458 857563444 /nfs/dbraw/zinc/56/34/44/857563444.db2.gz HIGWVZWCZRJOLJ-HNNXBMFYSA-N 2 0 351.466 0.860 20 0 FCADRP COC(=O)C1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001245988405 857563452 /nfs/dbraw/zinc/56/34/52/857563452.db2.gz PGBZHXMXXKTJGN-LSDHHAIUSA-N 2 0 357.401 0.080 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001246019060 857564442 /nfs/dbraw/zinc/56/44/42/857564442.db2.gz HGONNGNCXJEDFD-MJGOQNOKSA-N 2 0 352.475 0.791 20 0 FCADRP CCOC(=O)C1=C(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[NH2+]C1 ZINC001246009743 857565080 /nfs/dbraw/zinc/56/50/80/857565080.db2.gz GZTWFIQGBQZCNU-GOEBONIOSA-N 2 0 355.385 0.206 20 0 FCADRP O[C@@H](CN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246029644 857565675 /nfs/dbraw/zinc/56/56/75/857565675.db2.gz RONAHRSPULVGNE-ZIAGYGMSSA-N 2 0 365.440 0.858 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001246034340 857566080 /nfs/dbraw/zinc/56/60/80/857566080.db2.gz QAJLDIMWFISDLU-RBSFLKMASA-N 2 0 365.396 0.118 20 0 FCADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C2CCOCC2)CC1 ZINC001246071931 857567951 /nfs/dbraw/zinc/56/79/51/857567951.db2.gz WANBFQMKMYNIMB-JFIYKMOQSA-N 3 0 355.523 0.603 20 0 FCADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H](O)c1ccc(Br)cc1 ZINC001246078371 857568335 /nfs/dbraw/zinc/56/83/35/857568335.db2.gz HRLULRJOWBGZTR-QLFBSQMISA-N 2 0 370.291 0.527 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@H]1CN[C@](CC)(C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246239377 857571534 /nfs/dbraw/zinc/57/15/34/857571534.db2.gz XPOXMIVALSLBMN-VKJFTORMSA-N 2 0 355.479 0.581 20 0 FCADRP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCC[NH2+]C1CC[NH2+]CC1 ZINC001246271079 857572733 /nfs/dbraw/zinc/57/27/33/857572733.db2.gz HQLFBWGQRURIBS-DZKIICNBSA-N 2 0 369.535 0.170 20 0 FCADRP OC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H](O)c1ccc(Br)cc1 ZINC001246487835 857581221 /nfs/dbraw/zinc/58/12/21/857581221.db2.gz HRLULRJOWBGZTR-RBSFLKMASA-N 2 0 370.291 0.527 20 0 FCADRP [NH3+]CCCC[C@H]([NH2+]C1CCC2(CC1)C[NH2+]CCO2)C(=O)N1CCCC1 ZINC001246517167 857583300 /nfs/dbraw/zinc/58/33/00/857583300.db2.gz ADGJVKWYTYTTKF-HFCFLWKCSA-N 3 0 352.523 0.997 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246596665 857585593 /nfs/dbraw/zinc/58/55/93/857585593.db2.gz QJMRMQJAVCEXKG-XSWJXKHESA-N 2 0 353.463 0.145 20 0 FCADRP O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001246589417 857585986 /nfs/dbraw/zinc/58/59/86/857585986.db2.gz DLNHRQLJWRASRT-YIONKMFJSA-N 2 0 350.488 0.658 20 0 FCADRP O=C(C1CC[NH+](C2CCC3(CC2)C[NH2+]CCO3)CC1)N1CC[NH2+]CC1 ZINC001246678558 857589717 /nfs/dbraw/zinc/58/97/17/857589717.db2.gz XAMQMEMRRWPBFK-UHFFFAOYSA-N 3 0 350.507 0.431 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709497 857591592 /nfs/dbraw/zinc/59/15/92/857591592.db2.gz OTROUFKSZUSRJV-MWTISTBLSA-N 2 0 351.491 0.902 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736220 857595711 /nfs/dbraw/zinc/59/57/11/857595711.db2.gz KFGVIRQORGSYNU-VXNCWWDNSA-N 2 0 351.491 0.714 20 0 FCADRP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246738826 857595791 /nfs/dbraw/zinc/59/57/91/857595791.db2.gz MRAFICZVACMIAX-RYRKJORJSA-N 2 0 350.507 0.191 20 0 FCADRP CCN1CC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)[C@H](COC)C1=O ZINC001246738108 857595913 /nfs/dbraw/zinc/59/59/13/857595913.db2.gz FLQPMNSCEIJWGB-JKSUJKDBSA-N 2 0 350.507 0.287 20 0 FCADRP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)[C@H]1CCC[NH2+]C1 ZINC001246747107 857597469 /nfs/dbraw/zinc/59/74/69/857597469.db2.gz NNSVPDIPNPFXRD-YQQAZPJKSA-N 2 0 357.520 0.834 20 0 FCADRP FC(F)(F)c1cc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246811132 857601901 /nfs/dbraw/zinc/60/19/01/857601901.db2.gz NQOGXQBMIARAKJ-LBPRGKRZSA-N 2 0 356.396 0.711 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCN[C@@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859603 857603245 /nfs/dbraw/zinc/60/32/45/857603245.db2.gz PVGVHULFGOCEGZ-HHULCRSBSA-N 2 0 361.408 1.000 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246886044 857605372 /nfs/dbraw/zinc/60/53/72/857605372.db2.gz IQWQHRMDFXGLNA-BHBVFMNGSA-N 3 0 350.507 0.428 20 0 FCADRP CCOCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246951613 857606396 /nfs/dbraw/zinc/60/63/96/857606396.db2.gz VDCJRDKINZREGK-HOTGVXAUSA-N 2 0 356.536 0.340 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)CCC12C[NH2+]C2 ZINC001247009506 857609905 /nfs/dbraw/zinc/60/99/05/857609905.db2.gz QVQNMGAJXOSZDO-WUJZJPHMSA-N 3 0 351.491 0.762 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=S)NCC[NH+](C)C)C[C@@H]3C2)cn1 ZINC001249833829 857651436 /nfs/dbraw/zinc/65/14/36/857651436.db2.gz DTNMRHYKTSYUFH-CVEARBPZSA-N 2 0 350.536 0.610 20 0 FCADRP O[C@@H](CN1CCOCC1)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001251003529 857677214 /nfs/dbraw/zinc/67/72/14/857677214.db2.gz MGEOMMKHIBCFBI-LJQANCHMSA-N 2 0 355.523 0.504 20 0 FCADRP CC(C)[NH+]1CCN(CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251627303 857736821 /nfs/dbraw/zinc/73/68/21/857736821.db2.gz MSTTXFRXHZRQJI-CYBMUJFWSA-N 2 0 359.408 0.880 20 0 FCADRP CCCC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252087929 857784251 /nfs/dbraw/zinc/78/42/51/857784251.db2.gz FAMVDGUJTXLAMN-QGZVFWFLSA-N 2 0 354.539 0.708 20 0 FCADRP C[N@@H+]1CCCN(CC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253167042 857867808 /nfs/dbraw/zinc/86/78/08/857867808.db2.gz DMVUYUAFAZGRLO-SFHVURJKSA-N 2 0 351.491 0.188 20 0 FCADRP CC[NH+](CC)C[C@H](O)CNCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001253213533 857872592 /nfs/dbraw/zinc/87/25/92/857872592.db2.gz KZMHLUBJFADMIE-QGZVFWFLSA-N 2 0 370.519 0.109 20 0 FCADRP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001254192910 857947822 /nfs/dbraw/zinc/94/78/22/857947822.db2.gz UQIMDNUVAWSQEU-CYBMUJFWSA-N 2 0 360.459 0.914 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254930393 857991430 /nfs/dbraw/zinc/99/14/30/857991430.db2.gz ANAXIRGTNPJUPB-HZPDHXFCSA-N 2 0 358.479 0.359 20 0 FCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CCC[N@H+](C)C2)S(C)(=O)=O)cn1 ZINC001255481635 858013811 /nfs/dbraw/zinc/01/38/11/858013811.db2.gz BTEATLVRQBOZPY-HRCADAONSA-N 2 0 355.508 0.049 20 0 FCADRP O=C(NCC(F)(F)F)N1C[C@@H]2COC[C@H](C1)N2CC1CC[NH2+]CC1 ZINC001279614898 862980575 /nfs/dbraw/zinc/98/05/75/862980575.db2.gz GVUNBORQBIKHRD-BETUJISGSA-N 2 0 350.385 0.643 20 0 FCADRP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001256329053 858067948 /nfs/dbraw/zinc/06/79/48/858067948.db2.gz OYNQECIVUBHAQF-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H](CC(=O)N1CCOCC1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001256350087 858072737 /nfs/dbraw/zinc/07/27/37/858072737.db2.gz RHGZQMXGSAHOAT-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256689173 858095535 /nfs/dbraw/zinc/09/55/35/858095535.db2.gz RVRPADDJVLVBBH-WUCCLRPBSA-N 2 0 352.397 0.990 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001256990788 858111575 /nfs/dbraw/zinc/11/15/75/858111575.db2.gz IJXOVBSWQZPEKW-UHFFFAOYSA-N 2 0 355.479 0.618 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001257110587 858119782 /nfs/dbraw/zinc/11/97/82/858119782.db2.gz NEUCRPOAPIGBPQ-JJRVBVJISA-N 2 0 356.536 0.529 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257742537 858159218 /nfs/dbraw/zinc/15/92/18/858159218.db2.gz CMQHZNPLNSYLDE-ARFHVFGLSA-N 2 0 355.479 0.297 20 0 FCADRP CSC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261320924 858517854 /nfs/dbraw/zinc/51/78/54/858517854.db2.gz OZWBMRUVWPTACP-HNNXBMFYSA-N 2 0 358.552 0.540 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1(C)C ZINC001261474608 858561264 /nfs/dbraw/zinc/56/12/64/858561264.db2.gz GXISAOHSNYJUJB-CPUCHLNUSA-N 2 0 350.467 0.433 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)CC1 ZINC001262026220 858760706 /nfs/dbraw/zinc/76/07/06/858760706.db2.gz LIQFBTLQBXGGKO-DOTOQJQBSA-N 2 0 350.467 0.446 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC001262066334 858770460 /nfs/dbraw/zinc/77/04/60/858770460.db2.gz YOTBPAMEROMHIM-GLQYFDAESA-N 2 0 352.866 0.912 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC001262066333 858770534 /nfs/dbraw/zinc/77/05/34/858770534.db2.gz YOTBPAMEROMHIM-BYCMXARLSA-N 2 0 352.866 0.912 20 0 FCADRP C[C@@]1(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)NC(=O)NC1=O ZINC001262484968 858958164 /nfs/dbraw/zinc/95/81/64/858958164.db2.gz OVZHFKQKVKUMQJ-PBHICJAKSA-N 2 0 350.463 0.455 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)CC[NH2+]CC1 ZINC001263173748 859116760 /nfs/dbraw/zinc/11/67/60/859116760.db2.gz JCUBFRBOAZGCBD-ZDUSSCGKSA-N 2 0 351.472 0.632 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001270155881 859669645 /nfs/dbraw/zinc/66/96/45/859669645.db2.gz XCOLDNCTVSSHTM-KSSFIOAISA-N 2 0 350.463 0.010 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001270155880 859669926 /nfs/dbraw/zinc/66/99/26/859669926.db2.gz XCOLDNCTVSSHTM-KBXCAEBGSA-N 2 0 350.463 0.010 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001270332033 859719349 /nfs/dbraw/zinc/71/93/49/859719349.db2.gz DNWLATUHULRWIX-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831549 860275171 /nfs/dbraw/zinc/27/51/71/860275171.db2.gz NRLRYXSRMAOJIZ-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)C1([NH+](C)C)CC1)CC2 ZINC001272905625 860296952 /nfs/dbraw/zinc/29/69/52/860296952.db2.gz RZYOLCVUWQIRTL-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCCC2(CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001273310918 860446521 /nfs/dbraw/zinc/44/65/21/860446521.db2.gz PPLKEIDFSRAMQK-UHFFFAOYSA-N 2 0 350.507 0.908 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001273332102 860455585 /nfs/dbraw/zinc/45/55/85/860455585.db2.gz DGTPMVIXZMSNGA-ROUUACIJSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@@H](C(=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1)[NH+]1CCCC1 ZINC001273503860 860510597 /nfs/dbraw/zinc/51/05/97/860510597.db2.gz QFELTPHJKXACTJ-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)CC2 ZINC001275175777 860979709 /nfs/dbraw/zinc/97/97/09/860979709.db2.gz DCLJLAJEJRJRLS-KRWDZBQOSA-N 2 0 351.539 0.108 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001275226548 860993620 /nfs/dbraw/zinc/99/36/20/860993620.db2.gz QCGRWFCBDXQTMH-FCEWJHQRSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507463 861115358 /nfs/dbraw/zinc/11/53/58/861115358.db2.gz CFUCKEULUDPUQF-KDOFPFPSSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)(C)N1CCOCC1 ZINC001275516305 861119244 /nfs/dbraw/zinc/11/92/44/861119244.db2.gz WLWNSEDPDKHCMW-IAGOWNOFSA-N 2 0 352.523 0.724 20 0 FCADRP CCNC(=O)CNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001275556245 861127961 /nfs/dbraw/zinc/12/79/61/861127961.db2.gz JTBQCVYBJMFROF-MRXNPFEDSA-N 2 0 350.507 0.683 20 0 FCADRP CNC(=O)C(C)(C)N1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275738069 861181394 /nfs/dbraw/zinc/18/13/94/861181394.db2.gz SXTGYFXFASTEKI-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275750151 861189339 /nfs/dbraw/zinc/18/93/39/861189339.db2.gz FDMPZQKZVREBEU-LJQANCHMSA-N 2 0 351.491 0.668 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]12 ZINC001279894462 863120487 /nfs/dbraw/zinc/12/04/87/863120487.db2.gz QYYUKTOCRBNJQO-HRCADAONSA-N 2 0 352.479 0.510 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CCSC23C[NH+](C[C@H]2CCC(=O)N2)C3)CC1 ZINC001279900313 863125259 /nfs/dbraw/zinc/12/52/59/863125259.db2.gz PVLRPDPXWXTSFD-HUUCEWRRSA-N 2 0 366.531 0.283 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001279976442 863163379 /nfs/dbraw/zinc/16/33/79/863163379.db2.gz WUDRSIDTPBWBIP-HNNXBMFYSA-N 2 0 365.547 0.194 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23C[NH+](CC2COC(C)(C)OC2)C3)CC1 ZINC001280127918 863278115 /nfs/dbraw/zinc/27/81/15/863278115.db2.gz XXLYGJHCCUCMMP-INIZCTEOSA-N 2 0 351.491 0.918 20 0 FCADRP O=C([C@@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2)N1CC2(CC(O)C2)C1 ZINC001280134222 863285118 /nfs/dbraw/zinc/28/51/18/863285118.db2.gz AKOUQMKHIOIDFR-INIZCTEOSA-N 2 0 365.543 0.777 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@H+](CC4(C)COC4)C[C@@H]3O2)CC1 ZINC001280180658 863311192 /nfs/dbraw/zinc/31/11/92/863311192.db2.gz PBAJLLOBATWFDO-OIISXLGYSA-N 2 0 351.491 0.713 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC[C@@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183462 863312720 /nfs/dbraw/zinc/31/27/20/863312720.db2.gz CDIJNXSYGQOIEJ-WDYCEAGBSA-N 2 0 351.491 0.545 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](C[C@H]2CCCO2)C3)CC1 ZINC001280191054 863319436 /nfs/dbraw/zinc/31/94/36/863319436.db2.gz CELQMWOOTKQOPJ-SJORKVTESA-N 2 0 351.491 0.714 20 0 FCADRP C[NH+](C)CCN1CC2(C1)SCC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280221456 863345558 /nfs/dbraw/zinc/34/55/58/863345558.db2.gz QBEWRWCDDKQKJX-MRXNPFEDSA-N 2 0 354.564 0.908 20 0 FCADRP CN(C)C(=O)CN1CC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280245570 863356609 /nfs/dbraw/zinc/35/66/09/863356609.db2.gz HTIKPGLCDIYNSU-UHFFFAOYSA-N 2 0 351.539 0.110 20 0 FCADRP COCCOCN1CC2(C1)CCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246405 863358404 /nfs/dbraw/zinc/35/84/04/863358404.db2.gz XSFBUYYQXYZJOJ-UHFFFAOYSA-N 2 0 354.539 0.642 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280259531 863367016 /nfs/dbraw/zinc/36/70/16/863367016.db2.gz PYDWJMFOCQCJAC-CUSZFKRNSA-N 2 0 350.507 0.491 20 0 FCADRP CCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001293091611 865775768 /nfs/dbraw/zinc/77/57/68/865775768.db2.gz GAPDCJZDNKCRTQ-SFHVURJKSA-N 2 0 350.511 0.828 20 0 FCADRP CCC[C@@H](C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1)S(N)(=O)=O ZINC001302316181 866319155 /nfs/dbraw/zinc/31/91/55/866319155.db2.gz BVJLYVZCHWDBNW-ZDUSSCGKSA-N 2 0 355.464 0.229 20 0 FCADRP C/C(=C\C(=O)NC[C@H](C1CC1)[NH+](C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001350978852 866747319 /nfs/dbraw/zinc/74/73/19/866747319.db2.gz BVIMYBSZSFMSLP-KWEXZYJESA-N 2 0 350.507 0.846 20 0 FCADRP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC001351377024 866844740 /nfs/dbraw/zinc/84/47/40/866844740.db2.gz YKUPYWHDOMJDAJ-FZDBZEDMSA-N 2 0 374.598 0.858 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001351513046 866888842 /nfs/dbraw/zinc/88/88/42/866888842.db2.gz USNHEZDEEUXMSV-AEFFLSMTSA-N 2 0 350.507 0.478 20 0 FCADRP C/C(=C/C(=O)NCC[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC001351512859 866888869 /nfs/dbraw/zinc/88/88/69/866888869.db2.gz OVMAWEKUBZUEBZ-NHMNYBGFSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001353507471 867438762 /nfs/dbraw/zinc/43/87/62/867438762.db2.gz NHWFAWQSKDLKNJ-BRWVUGGUSA-N 2 0 353.511 0.162 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001318975595 867793795 /nfs/dbraw/zinc/79/37/95/867793795.db2.gz XIHSVEULNGJQEO-NVXWUHKLSA-N 2 0 353.511 0.032 20 0 FCADRP NC(=O)C[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC001319829973 868014036 /nfs/dbraw/zinc/01/40/36/868014036.db2.gz IYCBZEQMEMLJCI-IYBDPMFKSA-N 2 0 354.495 0.178 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608435 868033625 /nfs/dbraw/zinc/03/36/25/868033625.db2.gz NZOQZKQGEQYAEI-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001357403443 868109580 /nfs/dbraw/zinc/10/95/80/868109580.db2.gz CGWWKSUSCQZTEV-MRXNPFEDSA-N 2 0 352.523 0.820 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@@H]21 ZINC001357591225 868139485 /nfs/dbraw/zinc/13/94/85/868139485.db2.gz RDKFRLNZORTFKL-KFWWJZLASA-N 2 0 350.463 0.407 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001321821570 868627214 /nfs/dbraw/zinc/62/72/14/868627214.db2.gz NBTFDMBAYWWDRR-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001322524016 868843562 /nfs/dbraw/zinc/84/35/62/868843562.db2.gz FCQIZNABRAPEGZ-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[NH2+]CC1 ZINC001326338726 870263207 /nfs/dbraw/zinc/26/32/07/870263207.db2.gz AIOIVMQWSVSBKF-GFCCVEGCSA-N 2 0 352.460 0.003 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539294 870371846 /nfs/dbraw/zinc/37/18/46/870371846.db2.gz LYDLRBYLOKVGFB-IDCNUPLLSA-N 2 0 351.491 0.985 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001328343973 871376858 /nfs/dbraw/zinc/37/68/58/871376858.db2.gz QGRGQIGTDKJPER-BFHYXJOUSA-N 2 0 367.519 0.931 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC001329058675 871801373 /nfs/dbraw/zinc/80/13/73/871801373.db2.gz BUVIBSADTOLHEB-JQWIXIFHSA-N 2 0 350.385 0.183 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@H](C)C1 ZINC001346550531 871896725 /nfs/dbraw/zinc/89/67/25/871896725.db2.gz YDELCSFFIPPECJ-OWCLPIDISA-N 2 0 354.495 0.242 20 0 FCADRP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329491452 872065884 /nfs/dbraw/zinc/06/58/84/872065884.db2.gz SFKUWFQJVOUWBO-HUUCEWRRSA-N 2 0 357.520 0.486 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001347182290 872203533 /nfs/dbraw/zinc/20/35/33/872203533.db2.gz DOJANKOVCGHWSY-SJLPKXTDSA-N 2 0 352.523 0.316 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1(C)C ZINC001330647870 872747864 /nfs/dbraw/zinc/74/78/64/872747864.db2.gz IFANDIOFLVHKQG-APWZRJJASA-N 2 0 352.523 0.757 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001330866067 872851609 /nfs/dbraw/zinc/85/16/09/872851609.db2.gz GQEZQUPIUSTBSS-ZDUSSCGKSA-N 2 0 354.476 0.139 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001331130576 872974388 /nfs/dbraw/zinc/97/43/88/872974388.db2.gz IFVBTUPQAKLDTR-BJWYYQGGSA-N 2 0 350.507 0.871 20 0 FCADRP CCN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC001331904758 873297536 /nfs/dbraw/zinc/29/75/36/873297536.db2.gz HEQVSWGGXCPEPS-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001332628403 873587954 /nfs/dbraw/zinc/58/79/54/873587954.db2.gz QAIQGZVHCZXKHT-NXOAAHMSSA-N 2 0 353.511 0.160 20 0 FCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333256958 873878021 /nfs/dbraw/zinc/87/80/21/873878021.db2.gz BUVVPUNTNMEFCF-LNLFQRSKSA-N 2 0 352.523 0.807 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821599559 945737903 /nfs/dbraw/zinc/73/79/03/945737903.db2.gz ZWOWBMYYNDHZFR-UHFFFAOYSA-N 2 0 359.478 0.815 20 0 FCADRP C[NH+](C)C[C@H](O)CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825855077 947347976 /nfs/dbraw/zinc/34/79/76/947347976.db2.gz GLLXKTCKDLHLLQ-QGZVFWFLSA-N 2 0 359.478 0.343 20 0 FCADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925480 948972968 /nfs/dbraw/zinc/97/29/68/948972968.db2.gz ALFMCEJGCPLKOE-LBPRGKRZSA-N 2 0 360.466 0.578 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926391 948998369 /nfs/dbraw/zinc/99/83/69/948998369.db2.gz PCOMEJMWCFJRDR-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926870 949024843 /nfs/dbraw/zinc/02/48/43/949024843.db2.gz ZJXKVJLIMGZSKQ-CYBMUJFWSA-N 2 0 374.493 0.826 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253479 949190125 /nfs/dbraw/zinc/19/01/25/949190125.db2.gz KBZABIYFRPXDCP-VXGBXAGGSA-N 2 0 356.434 0.085 20 0 FCADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575256543 949256423 /nfs/dbraw/zinc/25/64/23/949256423.db2.gz WDIJFBORTFFEOX-NWDGAFQWSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709211 949501199 /nfs/dbraw/zinc/50/11/99/949501199.db2.gz YNDDEZGKWPKJQF-CJNGLKHVSA-N 2 0 372.477 0.815 20 0 FCADRP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575271454 949618159 /nfs/dbraw/zinc/61/81/59/949618159.db2.gz KLNFTWNOPRDSLK-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574722517 949837190 /nfs/dbraw/zinc/83/71/90/949837190.db2.gz UCBOVRYRSUCXLJ-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576190903 950176250 /nfs/dbraw/zinc/17/62/50/950176250.db2.gz CKAAUOKGFGTXDS-QWHCGFSZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908400 950363303 /nfs/dbraw/zinc/36/33/03/950363303.db2.gz BWEMONMVOPDADP-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576197957 950398141 /nfs/dbraw/zinc/39/81/41/950398141.db2.gz QDKRFQRRHFCFSP-CYBMUJFWSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575927044 950729963 /nfs/dbraw/zinc/72/99/63/950729963.db2.gz ZTKFIYBRZRGKPK-OCCSQVGLSA-N 2 0 370.461 0.427 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570993352 950942083 /nfs/dbraw/zinc/94/20/83/950942083.db2.gz FQUWQEDIBWUZKH-SWLSCSKDSA-N 2 0 358.450 0.283 20 0 FCADRP O=C(N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040212 951664086 /nfs/dbraw/zinc/66/40/86/951664086.db2.gz OVEBFVIMVYNPMY-OAHLLOKOSA-N 2 0 367.457 0.653 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001571064793 951979439 /nfs/dbraw/zinc/97/94/39/951979439.db2.gz YAERBHIFYDDMAY-CXAGYDPISA-N 2 0 369.473 0.755 20 0 FCADRP Cc1cc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078953 952135736 /nfs/dbraw/zinc/13/57/36/952135736.db2.gz YSZYSSPTIRHXDO-UHFFFAOYSA-N 2 0 370.461 0.561 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575143471 952152667 /nfs/dbraw/zinc/15/26/67/952152667.db2.gz ASKVEZMZZPBTSH-ZDUSSCGKSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575145038 952177634 /nfs/dbraw/zinc/17/76/34/952177634.db2.gz OMLFNJWTYURQIB-LBPRGKRZSA-N 2 0 356.434 0.038 20 0 FCADRP CC(=O)N1CCN(CCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000265921171 210249100 /nfs/dbraw/zinc/24/91/00/210249100.db2.gz UQXURTCULOVVRF-LJQANCHMSA-N 2 0 374.485 0.168 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cn2)C1 ZINC000291509068 214039822 /nfs/dbraw/zinc/03/98/22/214039822.db2.gz QDLYGVRYPOWQRP-GJZGRUSLSA-N 2 0 359.474 0.445 20 0 FCADRP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000291474046 214037482 /nfs/dbraw/zinc/03/74/82/214037482.db2.gz POMGRRJLHJZAPW-RCCFBDPRSA-N 2 0 366.531 0.883 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC[N@@H+]3CCCOCC3)c2)CC1 ZINC000189378444 529774327 /nfs/dbraw/zinc/77/43/27/529774327.db2.gz QEGNUONAXUYXMG-UHFFFAOYSA-N 2 0 360.502 0.886 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000410779297 529799478 /nfs/dbraw/zinc/79/94/78/529799478.db2.gz IQKHBVASEDLQJO-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP COCCN(CCO)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000265631613 210183000 /nfs/dbraw/zinc/18/30/00/210183000.db2.gz FXAYEJKSGUCXHT-UHFFFAOYSA-N 2 0 365.474 0.280 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000410752685 529931152 /nfs/dbraw/zinc/93/11/52/529931152.db2.gz IFBYIGAKTFFCCW-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000410781703 529965267 /nfs/dbraw/zinc/96/52/67/529965267.db2.gz CLAJEKWBESJTMT-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CCCC1 ZINC000331480404 215003885 /nfs/dbraw/zinc/00/38/85/215003885.db2.gz HWOWFMBVXKBNQL-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)C2)CC1 ZINC000331496439 215004373 /nfs/dbraw/zinc/00/43/73/215004373.db2.gz AWXPNMIVYOMERW-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331551331 215013704 /nfs/dbraw/zinc/01/37/04/215013704.db2.gz RTUIUBUPVOYYMV-IYBDPMFKSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691995 215034957 /nfs/dbraw/zinc/03/49/57/215034957.db2.gz VDWBQRSAUHCODY-RKVPGOIHSA-N 2 0 368.547 0.483 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])C2)CC1 ZINC000331756882 215043540 /nfs/dbraw/zinc/04/35/40/215043540.db2.gz CICHGKIKVGLIFY-IRXDYDNUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C[C@H]1[NH3+] ZINC000331751291 215042317 /nfs/dbraw/zinc/04/23/17/215042317.db2.gz ABDXILAWMMRYLK-YESZJQIVSA-N 2 0 350.507 0.763 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000331770814 215044827 /nfs/dbraw/zinc/04/48/27/215044827.db2.gz IDVOGNKJVHAVFZ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000331770820 215045046 /nfs/dbraw/zinc/04/50/46/215045046.db2.gz IDVOGNKJVHAVFZ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000331801125 215048878 /nfs/dbraw/zinc/04/88/78/215048878.db2.gz QQWGRXPIAGOLAT-ZACQAIPSSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000331858099 215057582 /nfs/dbraw/zinc/05/75/82/215057582.db2.gz JQMMXUXCFLZHCZ-UHFFFAOYSA-N 2 0 351.495 0.419 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000331863406 215057641 /nfs/dbraw/zinc/05/76/41/215057641.db2.gz KSKJBVBXXDXDTI-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331860135 215058519 /nfs/dbraw/zinc/05/85/19/215058519.db2.gz BFQOXSXYKXLTLX-FZKCQIBNSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)([NH+](C)C)C1 ZINC000331886213 215061600 /nfs/dbraw/zinc/06/16/00/215061600.db2.gz CZJCOOFYFKXXPO-JEWRLFTDSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334823 215132537 /nfs/dbraw/zinc/13/25/37/215132537.db2.gz VNXJZVYKCULIQX-OWLYRPNTSA-N 2 0 358.486 0.738 20 0 FCADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000332552729 215178335 /nfs/dbraw/zinc/17/83/35/215178335.db2.gz QGIUFXSWQIFFHQ-XHSDSOJGSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000332654501 215199284 /nfs/dbraw/zinc/19/92/84/215199284.db2.gz MEVXNIXKJFJHNQ-HYVNUMGLSA-N 2 0 350.507 0.620 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000332704081 215206419 /nfs/dbraw/zinc/20/64/19/215206419.db2.gz XRAWEXPQZMYSOE-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000333007085 215222904 /nfs/dbraw/zinc/22/29/04/215222904.db2.gz AHQAIBFPHZHQQJ-IAGOWNOFSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000333144749 215242593 /nfs/dbraw/zinc/24/25/93/215242593.db2.gz ZKNLGOYKEDLQJY-HZPDHXFCSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333298082 215259997 /nfs/dbraw/zinc/25/99/97/215259997.db2.gz KANAQZPUBDYWJV-ZBFHGGJFSA-N 2 0 359.478 0.977 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000333401808 215275156 /nfs/dbraw/zinc/27/51/56/215275156.db2.gz QBSRVYSVNJINCX-IRXDYDNUSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000333437385 215280393 /nfs/dbraw/zinc/28/03/93/215280393.db2.gz VOBWWYRXVRGQJE-DOTOQJQBSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@@H](C)O1 ZINC000333594565 215299719 /nfs/dbraw/zinc/29/97/19/215299719.db2.gz VQGIWXFKFAHIHB-NUJGCVRESA-N 2 0 368.522 0.896 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627426 215303919 /nfs/dbraw/zinc/30/39/19/215303919.db2.gz FZUDFYAIPYCPRO-BZSNNMDCSA-N 2 0 367.538 0.563 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333715970 215312360 /nfs/dbraw/zinc/31/23/60/215312360.db2.gz NBWIZGZKZXKOLG-ROUUACIJSA-N 2 0 368.522 0.776 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333767768 215317982 /nfs/dbraw/zinc/31/79/82/215317982.db2.gz BNALVOHFPHABSU-KSZLIROESA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333764081 215318084 /nfs/dbraw/zinc/31/80/84/215318084.db2.gz AXTAHCKDDGSZDK-WBVHZDCISA-N 2 0 351.495 0.369 20 0 FCADRP C[C@H]1NC(=O)N(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000333803949 215319962 /nfs/dbraw/zinc/31/99/62/215319962.db2.gz DXASZPAVTMZASM-RBSFLKMASA-N 2 0 352.479 0.748 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333853868 215324458 /nfs/dbraw/zinc/32/44/58/215324458.db2.gz QNRNTOVUFAYJML-JZXOWHBKSA-N 2 0 365.522 0.759 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333865217 215326089 /nfs/dbraw/zinc/32/60/89/215326089.db2.gz SUHGYCPBFRHSRS-LESCRADOSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)N1CCOCC1 ZINC000333907577 215329853 /nfs/dbraw/zinc/32/98/53/215329853.db2.gz KHTDYLUVHCBEEP-SQNIBIBYSA-N 2 0 368.522 0.881 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000333933072 215332424 /nfs/dbraw/zinc/33/24/24/215332424.db2.gz HLIFMPOSQYZSQW-HZPDHXFCSA-N 2 0 351.495 0.182 20 0 FCADRP Cn1cc(N2CC[C@@H]([NH2+]Cc3cnc(N4CCN(C)CC4)nc3)C2)cn1 ZINC000361268642 215387084 /nfs/dbraw/zinc/38/70/84/215387084.db2.gz KOOFOVILVIGYKS-MRXNPFEDSA-N 2 0 356.478 0.330 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285218879 213305180 /nfs/dbraw/zinc/30/51/80/213305180.db2.gz RPCCEBFPDTVYIH-QYZOEREBSA-N 2 0 372.513 0.828 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285218877 213305263 /nfs/dbraw/zinc/30/52/63/213305263.db2.gz RPCCEBFPDTVYIH-GBESFXJTSA-N 2 0 372.513 0.828 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989806 213262446 /nfs/dbraw/zinc/26/24/46/213262446.db2.gz SRYNCYPKVHNCKY-MAUKXSAKSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000284430316 213138794 /nfs/dbraw/zinc/13/87/94/213138794.db2.gz KWMYUOMPDGIMJM-HNNXBMFYSA-N 2 0 364.490 0.700 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000284124987 213079329 /nfs/dbraw/zinc/07/93/29/213079329.db2.gz RNCOALQBPRMBOR-SQNIBIBYSA-N 2 0 358.486 0.958 20 0 FCADRP C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)[C@H]1CCC[NH2+]C1 ZINC000262519641 209603624 /nfs/dbraw/zinc/60/36/24/209603624.db2.gz XDLRMJYEMBLYNZ-KGLIPLIRSA-N 2 0 368.503 0.888 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000283640778 212986130 /nfs/dbraw/zinc/98/61/30/212986130.db2.gz YMOROARKFCWZGP-RHSMWYFYSA-N 2 0 364.490 0.871 20 0 FCADRP CN(C)C(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411936266 237113218 /nfs/dbraw/zinc/11/32/18/237113218.db2.gz FKNNCQFMPBGTPB-IAGOWNOFSA-N 2 0 352.523 0.977 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H](CF)C1 ZINC000413205289 237293054 /nfs/dbraw/zinc/29/30/54/237293054.db2.gz ORXVFYZVYOLCAT-KRWDZBQOSA-N 2 0 365.453 0.974 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764494 216027847 /nfs/dbraw/zinc/02/78/47/216027847.db2.gz WAZXMCNXHDCORE-MOPGFXCFSA-N 2 0 361.486 0.631 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959673 216056877 /nfs/dbraw/zinc/05/68/77/216056877.db2.gz FNPLJSQCIIKZLL-VGWMRTNUSA-N 2 0 354.470 0.478 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]([NH3+])C3CCOCC3)ccc2oc1=O ZINC000261766866 209479684 /nfs/dbraw/zinc/47/96/84/209479684.db2.gz FMJOGTRCSLKKKI-MRXNPFEDSA-N 2 0 362.430 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)CC1=O ZINC000246595631 209393665 /nfs/dbraw/zinc/39/36/65/209393665.db2.gz FYTGTZPSCUDIES-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000246450184 209387409 /nfs/dbraw/zinc/38/74/09/209387409.db2.gz OQMHGXROJLBBME-XYJFISCASA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000245540386 209369376 /nfs/dbraw/zinc/36/93/76/209369376.db2.gz KEYSQRDLTMYUNZ-RYQLBKOJSA-N 2 0 358.486 0.836 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000237228276 209348634 /nfs/dbraw/zinc/34/86/34/209348634.db2.gz STHZZZMKLDFZFJ-OAHLLOKOSA-N 2 0 352.460 0.313 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000237719056 209356517 /nfs/dbraw/zinc/35/65/17/209356517.db2.gz GXEHZYWLOGBMQZ-UHFFFAOYSA-N 2 0 359.518 0.529 20 0 FCADRP Cn1cc([C@@H]2C[N@H+](CCn3ccnc3)CCN2CCn2ccnc2)cn1 ZINC000368267313 216225808 /nfs/dbraw/zinc/22/58/08/216225808.db2.gz ZSLAPZXMCGAGKO-SFHVURJKSA-N 2 0 354.462 0.872 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CSCN3)cc2)CC1 ZINC000237210765 209349288 /nfs/dbraw/zinc/34/92/88/209349288.db2.gz LMSBYKZBIMMPII-MRXNPFEDSA-N 2 0 350.488 0.914 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000195466796 209336665 /nfs/dbraw/zinc/33/66/65/209336665.db2.gz LIYHSFXXJNEWDM-IYBDPMFKSA-N 2 0 363.506 0.074 20 0 FCADRP CN1CCN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000368332731 216235344 /nfs/dbraw/zinc/23/53/44/216235344.db2.gz OQCJWATXZRANAP-UHFFFAOYSA-N 2 0 351.539 0.110 20 0 FCADRP C[NH+]1C[C@H]2CN(c3cc(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)nc4ncnn43)C[C@H]2C1 ZINC000192927008 209306232 /nfs/dbraw/zinc/30/62/32/209306232.db2.gz CDJKVRVZUUHUTN-GEEKYZPCSA-N 2 0 368.489 0.120 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000192540970 209301239 /nfs/dbraw/zinc/30/12/39/209301239.db2.gz KEFOMUCRVNLGIJ-RIFZZMRRSA-N 2 0 358.486 0.967 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnns1 ZINC000192085656 209296533 /nfs/dbraw/zinc/29/65/33/209296533.db2.gz RIKVQRGXCQWTDT-GFCCVEGCSA-N 2 0 354.480 0.351 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038730 216338417 /nfs/dbraw/zinc/33/84/17/216338417.db2.gz OMFSYZRCXHLMSK-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369401759 216396128 /nfs/dbraw/zinc/39/61/28/216396128.db2.gz NSCXIXVRIPQLCS-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP O=C1[C@H]2[C@H](O)CCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277757782 212395524 /nfs/dbraw/zinc/39/55/24/212395524.db2.gz JTPXBOOFCUYICB-IAGOWNOFSA-N 2 0 373.457 0.381 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000188945310 209243198 /nfs/dbraw/zinc/24/31/98/209243198.db2.gz OSYLIRRXZMFLOJ-IAGOWNOFSA-N 2 0 369.554 0.357 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188783547 209237867 /nfs/dbraw/zinc/23/78/67/209237867.db2.gz TYQAGVSDRDDEHM-UHFFFAOYSA-N 2 0 369.469 0.942 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000188358156 209228626 /nfs/dbraw/zinc/22/86/26/209228626.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 0 356.511 0.584 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187191960 209207382 /nfs/dbraw/zinc/20/73/82/209207382.db2.gz OBUQEHPDWFAYNV-IAGOWNOFSA-N 2 0 370.538 0.830 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000187069154 209202848 /nfs/dbraw/zinc/20/28/48/209202848.db2.gz LRIWXGCYRNIVPA-UHFFFAOYSA-N 2 0 361.490 0.835 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275436659 212028189 /nfs/dbraw/zinc/02/81/89/212028189.db2.gz JRRVFJYWHSCUNO-MRXNPFEDSA-N 2 0 362.474 0.566 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000414683464 245311123 /nfs/dbraw/zinc/31/11/23/245311123.db2.gz TXJBFJGIIODDAP-HUUCEWRRSA-N 2 0 362.474 0.960 20 0 FCADRP Cc1ccc(CC(=O)N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414738607 245318609 /nfs/dbraw/zinc/31/86/09/245318609.db2.gz DVGUNQLKUQRSGJ-IBGZPJMESA-N 2 0 372.513 0.879 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000414765759 245322677 /nfs/dbraw/zinc/32/26/77/245322677.db2.gz CJECESJTKYMXOM-INIZCTEOSA-N 2 0 362.474 0.914 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)c1 ZINC000414906943 245330700 /nfs/dbraw/zinc/33/07/00/245330700.db2.gz CUCQGGQDIKVABU-UHFFFAOYSA-N 2 0 362.474 0.650 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172643 245355948 /nfs/dbraw/zinc/35/59/48/245355948.db2.gz SYBRPLLJTZCICW-PBHICJAKSA-N 2 0 360.458 0.905 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000414915431 245333034 /nfs/dbraw/zinc/33/30/34/245333034.db2.gz MTAWJMCVIABQBA-QGZVFWFLSA-N 2 0 350.488 0.898 20 0 FCADRP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1)N1CCOCC1 ZINC000415343561 245393321 /nfs/dbraw/zinc/39/33/21/245393321.db2.gz LQJXKIVDQJHBML-HUUCEWRRSA-N 2 0 360.458 0.839 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000373505378 217026014 /nfs/dbraw/zinc/02/60/14/217026014.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000415346227 245395982 /nfs/dbraw/zinc/39/59/82/245395982.db2.gz RGUAXRGIKUUYFY-CYBMUJFWSA-N 2 0 361.446 0.336 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1(C)C ZINC000374149698 217103031 /nfs/dbraw/zinc/10/30/31/217103031.db2.gz UEQSVWCHWMVQBL-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CN(CCCNC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000374073805 217092846 /nfs/dbraw/zinc/09/28/46/217092846.db2.gz DREIGMRAGHGJQE-UHFFFAOYSA-N 2 0 374.551 0.192 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179938 217105776 /nfs/dbraw/zinc/10/57/76/217105776.db2.gz XEFODQXLUBKVGV-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCO1 ZINC000415606687 245446818 /nfs/dbraw/zinc/44/68/18/245446818.db2.gz YZKVFJSQAQLKHO-GOSISDBHSA-N 2 0 374.485 0.840 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417542278 245706128 /nfs/dbraw/zinc/70/61/28/245706128.db2.gz DKZDHGWKTOXAFR-WMLDXEAASA-N 2 0 361.490 0.920 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418867223 245879734 /nfs/dbraw/zinc/87/97/34/245879734.db2.gz URMCVPRSRYEELT-KBPBESRZSA-N 2 0 350.488 0.855 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856024 245868955 /nfs/dbraw/zinc/86/89/55/245868955.db2.gz WFBXBNWIDKLRGS-MSOLQXFVSA-N 2 0 360.502 0.863 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418868765 245878276 /nfs/dbraw/zinc/87/82/76/245878276.db2.gz WMQURHBMEFDAKW-KMFMINBZSA-N 2 0 362.474 0.658 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C[NH3+])C1 ZINC000418906892 245902011 /nfs/dbraw/zinc/90/20/11/245902011.db2.gz WUYCSXLSPOCGSU-CVEARBPZSA-N 2 0 368.522 0.722 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419129704 246005357 /nfs/dbraw/zinc/00/53/57/246005357.db2.gz AAKNSKXMNXVODI-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419129473 246005420 /nfs/dbraw/zinc/00/54/20/246005420.db2.gz DDWDLXUKVUJWRN-RXVVDRJESA-N 2 0 370.497 0.979 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419130071 246005461 /nfs/dbraw/zinc/00/54/61/246005461.db2.gz BZUWQMWMRKUBBB-IAGOWNOFSA-N 2 0 361.490 0.667 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419153758 246020064 /nfs/dbraw/zinc/02/00/64/246020064.db2.gz QGCNDZUGUSMCRD-HOCLYGCPSA-N 2 0 362.474 0.439 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419163486 246026099 /nfs/dbraw/zinc/02/60/99/246026099.db2.gz WRBWNRMQSQZWQB-ROUUACIJSA-N 2 0 374.485 0.353 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131309 246007708 /nfs/dbraw/zinc/00/77/08/246007708.db2.gz CKGGTTGAAGCUIN-CABCVRRESA-N 2 0 364.515 0.897 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419135399 246008730 /nfs/dbraw/zinc/00/87/30/246008730.db2.gz MMRNKOPKPFOQLB-ZWKOTPCHSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419140872 246013143 /nfs/dbraw/zinc/01/31/43/246013143.db2.gz WMLUDZMZTSFZBR-QYZOEREBSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C[C@H]1[NH3+] ZINC000419147619 246016979 /nfs/dbraw/zinc/01/69/79/246016979.db2.gz JCGWAXMLVAGFCK-CZUORRHYSA-N 2 0 364.515 0.882 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148572 246017085 /nfs/dbraw/zinc/01/70/85/246017085.db2.gz DJRRWCDKNHEYNX-FUHWJXTLSA-N 2 0 358.486 0.488 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000419148151 246017107 /nfs/dbraw/zinc/01/71/07/246017107.db2.gz JUOQZXLVSCQQLY-GOEBONIOSA-N 2 0 362.474 0.439 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419165474 246028829 /nfs/dbraw/zinc/02/88/29/246028829.db2.gz GLIYTFVIMNWTKV-CVEARBPZSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000419165202 246028985 /nfs/dbraw/zinc/02/89/85/246028985.db2.gz FYCFWDQDLKKBIX-KBAYOESNSA-N 2 0 358.486 0.473 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419168455 246030115 /nfs/dbraw/zinc/03/01/15/246030115.db2.gz SHONQCRICQIKTJ-ZWKOTPCHSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419170874 246031907 /nfs/dbraw/zinc/03/19/07/246031907.db2.gz ODOSKPQOUODXAN-ROUUACIJSA-N 2 0 358.486 0.535 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419175986 246035234 /nfs/dbraw/zinc/03/52/34/246035234.db2.gz YLFNHNOVGOVMSE-ZACQAIPSSA-N 2 0 368.522 0.722 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1(C)C ZINC000419179367 246038018 /nfs/dbraw/zinc/03/80/18/246038018.db2.gz IHVASKKZLVMSBY-OAHLLOKOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419180814 246039435 /nfs/dbraw/zinc/03/94/35/246039435.db2.gz ARGIYOATXZPHRU-ZDUSSCGKSA-N 2 0 350.438 0.617 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419185224 246040664 /nfs/dbraw/zinc/04/06/64/246040664.db2.gz OMWJAPRAEPEUDP-SJORKVTESA-N 2 0 366.506 0.394 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419185551 246041301 /nfs/dbraw/zinc/04/13/01/246041301.db2.gz HDLQKELYTADUKT-KRWDZBQOSA-N 2 0 358.486 0.759 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000419190585 246043919 /nfs/dbraw/zinc/04/39/19/246043919.db2.gz MVVZYGOGRTVKKK-INIZCTEOSA-N 2 0 358.486 0.630 20 0 FCADRP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cn2)CC1 ZINC000419196940 246045784 /nfs/dbraw/zinc/04/57/84/246045784.db2.gz AJQHGDGFWJXKIY-OAHLLOKOSA-N 2 0 359.474 0.754 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419210941 246056192 /nfs/dbraw/zinc/05/61/92/246056192.db2.gz RUXIDKRRMRIWPG-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419211518 246056740 /nfs/dbraw/zinc/05/67/40/246056740.db2.gz SMYBXPWJKJHOLL-SQNIBIBYSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419211062 246056952 /nfs/dbraw/zinc/05/69/52/246056952.db2.gz YRPXAGZQMMWDDA-NVXWUHKLSA-N 2 0 362.474 0.199 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212213 246057871 /nfs/dbraw/zinc/05/78/71/246057871.db2.gz UJJPLBQTTPPXTI-MSOLQXFVSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000419216204 246059021 /nfs/dbraw/zinc/05/90/21/246059021.db2.gz ZUILCZXEGXMBCI-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419194442 246047017 /nfs/dbraw/zinc/04/70/17/246047017.db2.gz SUFQUNBIUKQEGG-UHFFFAOYSA-N 2 0 364.465 0.974 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000419197637 246048467 /nfs/dbraw/zinc/04/84/67/246048467.db2.gz XZZIDVVGWWZLRK-GOSISDBHSA-N 2 0 358.486 0.663 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000419202228 246050232 /nfs/dbraw/zinc/05/02/32/246050232.db2.gz GPQJIFZWJRUVGB-IBGZPJMESA-N 2 0 362.474 0.441 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419204712 246052354 /nfs/dbraw/zinc/05/23/54/246052354.db2.gz JABYUAXENRLEER-LSDHHAIUSA-N 2 0 362.474 0.452 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419275179 246086053 /nfs/dbraw/zinc/08/60/53/246086053.db2.gz COWQYQMQKQSAND-STQMWFEESA-N 2 0 365.453 0.218 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000419340423 246104858 /nfs/dbraw/zinc/10/48/58/246104858.db2.gz NFXPLZSWFHRXRD-UHFFFAOYSA-N 2 0 362.474 0.455 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000419303879 246090261 /nfs/dbraw/zinc/09/02/61/246090261.db2.gz ISMVSCDPLPTMTE-LSDHHAIUSA-N 2 0 359.474 0.897 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419361043 246118878 /nfs/dbraw/zinc/11/88/78/246118878.db2.gz AREBVBHDTJFKMB-FQEVSTJZSA-N 2 0 372.513 0.708 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419370372 246119638 /nfs/dbraw/zinc/11/96/38/246119638.db2.gz GVMRWRDIYUSMSH-KRWDZBQOSA-N 2 0 360.502 0.691 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)Cc1ccccc1 ZINC000419371486 246122669 /nfs/dbraw/zinc/12/26/69/246122669.db2.gz KXNLXRFKCMYNNT-FUHWJXTLSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373040 246122716 /nfs/dbraw/zinc/12/27/16/246122716.db2.gz MAJMHAMATVGDJE-MSOLQXFVSA-N 2 0 372.513 0.836 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000419375693 246125649 /nfs/dbraw/zinc/12/56/49/246125649.db2.gz RZAYTPNTFMRMBL-IKGGRYGDSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419414190 246147237 /nfs/dbraw/zinc/14/72/37/246147237.db2.gz SZBRCCILANBRRV-OWCLPIDISA-N 2 0 354.495 0.047 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419415796 246149360 /nfs/dbraw/zinc/14/93/60/246149360.db2.gz GNVATMQLMRUJFD-ZWKOTPCHSA-N 2 0 358.486 0.937 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC(F)(F)CN)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399418 246133876 /nfs/dbraw/zinc/13/38/76/246133876.db2.gz JUJXCOCOFBIANF-DZGCQCFKSA-N 2 0 368.428 0.723 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419402147 246136292 /nfs/dbraw/zinc/13/62/92/246136292.db2.gz BHOIEANEHWFMJN-ROUUACIJSA-N 2 0 358.486 0.793 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401998 246137073 /nfs/dbraw/zinc/13/70/73/246137073.db2.gz PRBCWOYFWMIEMG-OWYHZJEWSA-N 2 0 370.497 0.834 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419403204 246138190 /nfs/dbraw/zinc/13/81/90/246138190.db2.gz CWZCNESUCIYPRL-QZTJIDSGSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419407133 246140312 /nfs/dbraw/zinc/14/03/12/246140312.db2.gz KCQJMHFYZZWEGU-CRAIPNDOSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419408264 246141713 /nfs/dbraw/zinc/14/17/13/246141713.db2.gz LRBFLVKUUZSPPW-ROUUACIJSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407755 246141891 /nfs/dbraw/zinc/14/18/91/246141891.db2.gz YZXUMPSJEDBKGU-NUJGCVRESA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419411925 246144434 /nfs/dbraw/zinc/14/44/34/246144434.db2.gz CDMUDLCLSWDKLB-OALUTQOASA-N 2 0 370.497 0.619 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419422976 246155043 /nfs/dbraw/zinc/15/50/43/246155043.db2.gz RDQBDSGQEHBSQA-SJLPKXTDSA-N 2 0 373.501 0.121 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419423957 246157083 /nfs/dbraw/zinc/15/70/83/246157083.db2.gz NSFVWOFOOJJJII-SFHVURJKSA-N 2 0 374.485 0.046 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419428466 246159666 /nfs/dbraw/zinc/15/96/66/246159666.db2.gz STYRJFRKHAQPKA-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419419905 246152390 /nfs/dbraw/zinc/15/23/90/246152390.db2.gz ZOBNBLHIGXGLCZ-QZTJIDSGSA-N 2 0 374.485 0.126 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419506753 246185108 /nfs/dbraw/zinc/18/51/08/246185108.db2.gz NFWDDOBKPNRRIW-QRVBRYPASA-N 2 0 370.497 0.978 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419524581 246192531 /nfs/dbraw/zinc/19/25/31/246192531.db2.gz BWQUPCZZYQCOJY-SOLBZPMBSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419476916 246176404 /nfs/dbraw/zinc/17/64/04/246176404.db2.gz QNQUUHDNZAPUAC-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419484320 246178070 /nfs/dbraw/zinc/17/80/70/246178070.db2.gz SZFVJBWLXFJQPV-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419485738 246178098 /nfs/dbraw/zinc/17/80/98/246178098.db2.gz WGDURLVXGVAVNW-BZUAXINKSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC[N@@H+]1C ZINC000419539314 246197080 /nfs/dbraw/zinc/19/70/80/246197080.db2.gz AXWACODMZPKKON-XLNGHYISSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000419656893 246233212 /nfs/dbraw/zinc/23/32/12/246233212.db2.gz VHQREIMDFJEFEA-HOCLYGCPSA-N 2 0 362.474 0.337 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000419620643 246220093 /nfs/dbraw/zinc/22/00/93/246220093.db2.gz DDVNJGATIRGNOV-RPVQJOFSSA-N 2 0 374.460 0.845 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000419630237 246223594 /nfs/dbraw/zinc/22/35/94/246223594.db2.gz SRTKKEAFLZUJIC-JCGIZDLHSA-N 2 0 356.470 0.706 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000419630236 246224712 /nfs/dbraw/zinc/22/47/12/246224712.db2.gz SRTKKEAFLZUJIC-FHLIZLRMSA-N 2 0 356.470 0.706 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419642511 246226474 /nfs/dbraw/zinc/22/64/74/246226474.db2.gz MBWWNKHJDVDQCA-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419669017 246239212 /nfs/dbraw/zinc/23/92/12/246239212.db2.gz YYNAZMZLOSJBCN-AWEZNQCLSA-N 2 0 350.463 0.439 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419690035 246252552 /nfs/dbraw/zinc/25/25/52/246252552.db2.gz ULCXAQPRBLDUSA-OAHLLOKOSA-N 2 0 368.547 0.580 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419694029 246255647 /nfs/dbraw/zinc/25/56/47/246255647.db2.gz OVTIWZCMVWDWNO-LSDHHAIUSA-N 2 0 368.547 0.850 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419698326 246257447 /nfs/dbraw/zinc/25/74/47/246257447.db2.gz YSYJWNQWKYNYDE-HNNXBMFYSA-N 2 0 368.547 0.675 20 0 FCADRP COc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000419713290 246264697 /nfs/dbraw/zinc/26/46/97/246264697.db2.gz VMUHWQFRQZQNFK-ZDUSSCGKSA-N 2 0 366.462 0.640 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H](C)C[NH3+])CCCC2)CC1 ZINC000419748538 246281733 /nfs/dbraw/zinc/28/17/33/246281733.db2.gz FSBATTJREUXORQ-CQSZACIVSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000419755868 246285246 /nfs/dbraw/zinc/28/52/46/246285246.db2.gz FNARFYRWODLRHW-HOCLYGCPSA-N 2 0 364.465 0.878 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CCCC2)CC1 ZINC000419758359 246286220 /nfs/dbraw/zinc/28/62/20/246286220.db2.gz VXNLRGBWASGFIR-AWEZNQCLSA-N 2 0 354.495 0.332 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419760018 246288457 /nfs/dbraw/zinc/28/84/57/246288457.db2.gz NGISKYAVDNOOAX-HNNXBMFYSA-N 2 0 350.438 0.490 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])Cc1ccc(F)cc1 ZINC000419765333 246289016 /nfs/dbraw/zinc/28/90/16/246289016.db2.gz WZJGDWPUFUSJMS-INIZCTEOSA-N 2 0 350.438 0.714 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000419778210 246292926 /nfs/dbraw/zinc/29/29/26/246292926.db2.gz OHANXDMOKLTSPR-KFWWJZLASA-N 2 0 354.495 0.188 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419801140 246299460 /nfs/dbraw/zinc/29/94/60/246299460.db2.gz ARKKDFHXXZEGBB-RDJZCZTQSA-N 2 0 360.458 0.426 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419806299 246301019 /nfs/dbraw/zinc/30/10/19/246301019.db2.gz RNMTZTLXHNTESL-UHFFFAOYSA-N 2 0 368.522 0.724 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000419808132 246304465 /nfs/dbraw/zinc/30/44/65/246304465.db2.gz GRRZBSJLVILQQO-AEFFLSMTSA-N 2 0 374.485 0.817 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419725614 246272981 /nfs/dbraw/zinc/27/29/81/246272981.db2.gz IPCNLBWQBUCPFS-INIZCTEOSA-N 2 0 354.495 0.252 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000419871320 246338900 /nfs/dbraw/zinc/33/89/00/246338900.db2.gz CIBKOUIYVHTEMM-AWEZNQCLSA-N 2 0 350.488 0.508 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419836972 246312627 /nfs/dbraw/zinc/31/26/27/246312627.db2.gz CKTMPYNQTWQHIJ-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419842885 246315788 /nfs/dbraw/zinc/31/57/88/246315788.db2.gz ILMUMBLXGXBDQY-QGZVFWFLSA-N 2 0 361.490 0.620 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846088 246318261 /nfs/dbraw/zinc/31/82/61/246318261.db2.gz RALJRHKPVJASSG-ZWKOTPCHSA-N 2 0 373.501 0.763 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000419855196 246326276 /nfs/dbraw/zinc/32/62/76/246326276.db2.gz CNXNFBVGABRGOL-QGZVFWFLSA-N 2 0 366.506 0.191 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419866462 246334356 /nfs/dbraw/zinc/33/43/56/246334356.db2.gz UKHGHJVSDZAMCI-MRXNPFEDSA-N 2 0 364.465 0.832 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867462 246334612 /nfs/dbraw/zinc/33/46/12/246334612.db2.gz KYWWRIVCTMEMOF-QGZVFWFLSA-N 2 0 367.538 0.169 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000419866187 246335878 /nfs/dbraw/zinc/33/58/78/246335878.db2.gz GYMOPOVEMCGLKB-UYSNPLJNSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000419927324 246373101 /nfs/dbraw/zinc/37/31/01/246373101.db2.gz CHHVMIGGFUMGBO-AWEZNQCLSA-N 2 0 352.454 0.688 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419878141 246345471 /nfs/dbraw/zinc/34/54/71/246345471.db2.gz YNBRHBIJJLFSBF-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000419883249 246347982 /nfs/dbraw/zinc/34/79/82/246347982.db2.gz IXUCQSQONDIMRM-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419892191 246354071 /nfs/dbraw/zinc/35/40/71/246354071.db2.gz JBUIIEKXNGMXKI-GASCZTMLSA-N 2 0 354.495 0.060 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419891954 246354521 /nfs/dbraw/zinc/35/45/21/246354521.db2.gz UNOOPMRSOZYMBW-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000419891764 246354711 /nfs/dbraw/zinc/35/47/11/246354711.db2.gz NMZUDJRVBXRHMG-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419895650 246356336 /nfs/dbraw/zinc/35/63/36/246356336.db2.gz SPGHOUGCCNMWSC-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896490 246357530 /nfs/dbraw/zinc/35/75/30/246357530.db2.gz XSKWGIPFJRAQOW-DLBZAZTESA-N 2 0 359.474 0.373 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896492 246357608 /nfs/dbraw/zinc/35/76/08/246357608.db2.gz XSKWGIPFJRAQOW-IAGOWNOFSA-N 2 0 359.474 0.373 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419900434 246359189 /nfs/dbraw/zinc/35/91/89/246359189.db2.gz QYBCCESLCJEGTM-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419905079 246362165 /nfs/dbraw/zinc/36/21/65/246362165.db2.gz UPJFWOUYHPOVPW-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419958306 246388137 /nfs/dbraw/zinc/38/81/37/246388137.db2.gz QDZPXPPYMPSXJL-KFWWJZLASA-N 2 0 354.495 0.045 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967325 246392959 /nfs/dbraw/zinc/39/29/59/246392959.db2.gz NSJVQIIFFNYWCU-WBVHZDCISA-N 2 0 350.507 0.955 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419974002 246395621 /nfs/dbraw/zinc/39/56/21/246395621.db2.gz IPYIFDFUPQRWLH-JZXOWHBKSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419973774 246396327 /nfs/dbraw/zinc/39/63/27/246396327.db2.gz ILGVNPQYFMGJLG-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)o1 ZINC000419973799 246397633 /nfs/dbraw/zinc/39/76/33/246397633.db2.gz HBBSNSMJQCJXDG-HNNXBMFYSA-N 2 0 352.479 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419999758 246408251 /nfs/dbraw/zinc/40/82/51/246408251.db2.gz SLNSXGBHVLAJEE-NVXWUHKLSA-N 2 0 361.490 0.748 20 0 FCADRP CCOC(=O)c1cc(F)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420459336 246565073 /nfs/dbraw/zinc/56/50/73/246565073.db2.gz QUUFZVPCRLADSW-UHFFFAOYSA-N 2 0 361.439 0.691 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423358563 247010424 /nfs/dbraw/zinc/01/04/24/247010424.db2.gz BRRGWRITHSCDDZ-HUUCEWRRSA-N 2 0 364.515 0.706 20 0 FCADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398568 247020463 /nfs/dbraw/zinc/02/04/63/247020463.db2.gz VOXFKDUERJSMNW-YNEHKIRRSA-N 2 0 357.442 0.768 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423413200 247021970 /nfs/dbraw/zinc/02/19/70/247021970.db2.gz JSLFNNGYMCYRLQ-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423212132 246978157 /nfs/dbraw/zinc/97/81/57/246978157.db2.gz LQHXLVYAVSVKJI-HRCADAONSA-N 2 0 354.495 0.141 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423305724 247000312 /nfs/dbraw/zinc/00/03/12/247000312.db2.gz CKZWTKZZLBRDOG-QGZVFWFLSA-N 2 0 368.522 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308505 247002043 /nfs/dbraw/zinc/00/20/43/247002043.db2.gz ONLKSVDXRJWIRL-AEFFLSMTSA-N 2 0 358.486 0.787 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423313737 247003835 /nfs/dbraw/zinc/00/38/35/247003835.db2.gz XJIGGJQKDKAJIL-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423419582 247023648 /nfs/dbraw/zinc/02/36/48/247023648.db2.gz AASGEIBVRAHQLP-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423557781 247052165 /nfs/dbraw/zinc/05/21/65/247052165.db2.gz COIJRHCSGZXWRJ-YLJYHZDGSA-N 2 0 374.485 0.032 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423574681 247058822 /nfs/dbraw/zinc/05/88/22/247058822.db2.gz XKZVPPHLTFNKFI-JLJPHGGASA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423584215 247063790 /nfs/dbraw/zinc/06/37/90/247063790.db2.gz BVXZPTMXEJHZSX-UHFFFAOYSA-N 2 0 352.504 0.836 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423583834 247063914 /nfs/dbraw/zinc/06/39/14/247063914.db2.gz BBLZKDNCNIFZCJ-JKSUJKDBSA-N 2 0 364.515 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423442321 247027425 /nfs/dbraw/zinc/02/74/25/247027425.db2.gz BPOIQXNVWKJLFH-IYBDPMFKSA-N 2 0 373.501 0.965 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423442738 247028101 /nfs/dbraw/zinc/02/81/01/247028101.db2.gz ZNMQYAKJNKHCCA-BBWFWOEESA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000423447899 247029723 /nfs/dbraw/zinc/02/97/23/247029723.db2.gz PGHOGFSORYZUGP-OAHLLOKOSA-N 2 0 356.511 0.389 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000423487426 247035267 /nfs/dbraw/zinc/03/52/67/247035267.db2.gz XEXKGHCTVXRBLM-MRXNPFEDSA-N 2 0 362.474 0.535 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423673656 247105252 /nfs/dbraw/zinc/10/52/52/247105252.db2.gz GDJUVRKSJLWOKZ-UWJYYQICSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000423621951 247078597 /nfs/dbraw/zinc/07/85/97/247078597.db2.gz LOBVUBDORZJXIQ-GOEBONIOSA-N 2 0 352.479 0.038 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656019 247096450 /nfs/dbraw/zinc/09/64/50/247096450.db2.gz TWHIFYRGHJYPRI-OWYHZJEWSA-N 2 0 370.497 0.773 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771363 247139658 /nfs/dbraw/zinc/13/96/58/247139658.db2.gz FVZUSZWEJWFNQX-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1OCCN[C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000423915561 247150802 /nfs/dbraw/zinc/15/08/02/247150802.db2.gz MDYIHZQBWOMUOI-HOSILWTGSA-N 2 0 353.442 0.168 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCNC(=O)NC2CCCCC2)CC1 ZINC000423911856 247151103 /nfs/dbraw/zinc/15/11/03/247151103.db2.gz VVNKISDXDLHXQT-UHFFFAOYSA-N 2 0 353.511 0.938 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000423701573 247115691 /nfs/dbraw/zinc/11/56/91/247115691.db2.gz WXQGMYBPSVFJBH-ZACQAIPSSA-N 2 0 368.522 0.674 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703611 247116071 /nfs/dbraw/zinc/11/60/71/247116071.db2.gz CEUUPKHWTMRTLE-ZWKOTPCHSA-N 2 0 358.486 0.645 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423705373 247117560 /nfs/dbraw/zinc/11/75/60/247117560.db2.gz HIACPCAPDCBUFJ-OAHLLOKOSA-N 3 0 350.511 0.832 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423713816 247120513 /nfs/dbraw/zinc/12/05/13/247120513.db2.gz WNJLFGWXNRQRMG-BZSNNMDCSA-N 2 0 356.470 0.527 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000423714980 247120697 /nfs/dbraw/zinc/12/06/97/247120697.db2.gz GWMDWIKCTRBTAJ-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)CCO1 ZINC000423716984 247122896 /nfs/dbraw/zinc/12/28/96/247122896.db2.gz ASUROBTVFCWUSA-INMHGKMJSA-N 2 0 366.506 0.284 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000423724426 247125872 /nfs/dbraw/zinc/12/58/72/247125872.db2.gz HELAWIADQMYRQS-BRWVUGGUSA-N 2 0 368.522 0.532 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000423725003 247126671 /nfs/dbraw/zinc/12/66/71/247126671.db2.gz SCWBZZGEUUAMMA-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423725335 247127723 /nfs/dbraw/zinc/12/77/23/247127723.db2.gz SNMORDWACYZNON-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000423727803 247128662 /nfs/dbraw/zinc/12/86/62/247128662.db2.gz KXXIQVOSFDYHSE-HOTGVXAUSA-N 2 0 359.536 0.876 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423730388 247130763 /nfs/dbraw/zinc/13/07/63/247130763.db2.gz XWNPCGKWKPQHRQ-HRCADAONSA-N 2 0 368.522 0.530 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000423736680 247132544 /nfs/dbraw/zinc/13/25/44/247132544.db2.gz STPBQBKUQYWYDX-YQQAZPJKSA-N 2 0 357.520 0.344 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423743712 247136818 /nfs/dbraw/zinc/13/68/18/247136818.db2.gz LYZIRFCTAMKJAG-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424294427 247195336 /nfs/dbraw/zinc/19/53/36/247195336.db2.gz QILRJBAYJJEDJG-UHFFFAOYSA-N 2 0 360.506 0.724 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000424058462 247164087 /nfs/dbraw/zinc/16/40/87/247164087.db2.gz LCCGYPVBMJIRHY-CYBMUJFWSA-N 2 0 355.446 0.934 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000424494311 247240055 /nfs/dbraw/zinc/24/00/55/247240055.db2.gz MZTQLXMCKDLCLH-RBUKOAKNSA-N 2 0 370.497 0.917 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540026 247254836 /nfs/dbraw/zinc/25/48/36/247254836.db2.gz FYAQBBLEAVSZFX-XGXHKWSGSA-N 2 0 370.497 0.976 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424524376 247250400 /nfs/dbraw/zinc/25/04/00/247250400.db2.gz PRDDKNIIFSDNLH-CEXWTWQISA-N 2 0 370.497 0.835 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424442074 247215694 /nfs/dbraw/zinc/21/56/94/247215694.db2.gz USXOVMWWWCZXIE-OAHLLOKOSA-N 2 0 361.490 0.534 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000424451337 247221453 /nfs/dbraw/zinc/22/14/53/247221453.db2.gz BFGGHKVMLTYYLE-OAHLLOKOSA-N 2 0 361.490 0.534 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000424462300 247226534 /nfs/dbraw/zinc/22/65/34/247226534.db2.gz FJJMLQRVXLKZNO-UHFFFAOYSA-N 2 0 361.490 0.534 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000424472065 247229886 /nfs/dbraw/zinc/22/98/86/247229886.db2.gz UJHOACGSEWBRSF-UHFFFAOYSA-N 2 0 363.506 0.734 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540021 247255913 /nfs/dbraw/zinc/25/59/13/247255913.db2.gz FYAQBBLEAVSZFX-GDAAHCPNSA-N 2 0 370.497 0.976 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)C1=O ZINC000425314557 247320616 /nfs/dbraw/zinc/32/06/16/247320616.db2.gz VGCFDRNFPPEURD-OALUTQOASA-N 2 0 372.513 0.971 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322409 247323174 /nfs/dbraw/zinc/32/31/74/247323174.db2.gz TUYQDAOELWOLFH-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272500231 211557659 /nfs/dbraw/zinc/55/76/59/211557659.db2.gz VRKFKNJUCFNMDG-INIZCTEOSA-N 3 0 351.520 0.790 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000433143219 247844843 /nfs/dbraw/zinc/84/48/43/247844843.db2.gz XZRSAIUJZXLWEB-UHFFFAOYSA-N 2 0 360.462 0.160 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000436321972 248038912 /nfs/dbraw/zinc/03/89/12/248038912.db2.gz LYZSTAQCNHHMOL-INIZCTEOSA-N 2 0 358.527 0.831 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000436061483 248031295 /nfs/dbraw/zinc/03/12/95/248031295.db2.gz PTMZNVRDXSMDAW-MRXNPFEDSA-N 2 0 357.462 0.524 20 0 FCADRP C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000440980608 248229605 /nfs/dbraw/zinc/22/96/05/248229605.db2.gz NHUSXZSSXJUNBM-QGZVFWFLSA-N 2 0 368.570 0.195 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442610218 248293106 /nfs/dbraw/zinc/29/31/06/248293106.db2.gz NLQGUONPDWVXFO-KRWDZBQOSA-N 2 0 369.554 0.404 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630472 248333512 /nfs/dbraw/zinc/33/35/12/248333512.db2.gz JXCCLMQOVTVXTC-WBVHZDCISA-N 2 0 367.538 0.911 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444258663 248353317 /nfs/dbraw/zinc/35/33/17/248353317.db2.gz JSBQGYQMMKDUFF-LPHOPBHVSA-N 2 0 358.490 0.495 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444258664 248353376 /nfs/dbraw/zinc/35/33/76/248353376.db2.gz JSBQGYQMMKDUFF-QFBILLFUSA-N 2 0 358.490 0.495 20 0 FCADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444254988 248353435 /nfs/dbraw/zinc/35/34/35/248353435.db2.gz WMSWYCYXMDZLLK-KURKYZTESA-N 2 0 354.539 0.754 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867585 248378490 /nfs/dbraw/zinc/37/84/90/248378490.db2.gz WURACDWFLCCETA-HNNXBMFYSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000459049508 249706596 /nfs/dbraw/zinc/70/65/96/249706596.db2.gz ZBLDQVJTBWKXQE-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000469851969 250008618 /nfs/dbraw/zinc/00/86/18/250008618.db2.gz DKDPKRIMUGNUKR-UHFFFAOYSA-N 2 0 351.495 0.895 20 0 FCADRP COC(=O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@@H]1C ZINC000469999496 250019084 /nfs/dbraw/zinc/01/90/84/250019084.db2.gz LDBDLYQBUJYXJQ-FPCVCCKLSA-N 2 0 368.474 0.770 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470887287 250070296 /nfs/dbraw/zinc/07/02/96/250070296.db2.gz CARDWPCANYSVOG-IAGOWNOFSA-N 2 0 365.522 0.701 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471652703 250113249 /nfs/dbraw/zinc/11/32/49/250113249.db2.gz LHOMJJQAXBDUOC-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000471655856 250113810 /nfs/dbraw/zinc/11/38/10/250113810.db2.gz YYVCRDNVLGRLSP-IRXDYDNUSA-N 2 0 355.527 0.232 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472276020 250143301 /nfs/dbraw/zinc/14/33/01/250143301.db2.gz LYZOQRLSOWBGFY-HOTGVXAUSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284602 250142390 /nfs/dbraw/zinc/14/23/90/250142390.db2.gz MCOKFRCBNLIDLG-NVXWUHKLSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000472982259 250191894 /nfs/dbraw/zinc/19/18/94/250191894.db2.gz BTRSTWZFEHNBDP-DLBZAZTESA-N 2 0 355.527 0.375 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000474026796 250265992 /nfs/dbraw/zinc/26/59/92/250265992.db2.gz ANOISOGURGKOEJ-QGZVFWFLSA-N 2 0 369.554 0.404 20 0 FCADRP CCN(C)C(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000473924773 250257651 /nfs/dbraw/zinc/25/76/51/250257651.db2.gz WGYAPLGSRSWSNU-JKSUJKDBSA-N 2 0 355.527 0.911 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930868 250297745 /nfs/dbraw/zinc/29/77/45/250297745.db2.gz IQRVRRKWEUAOKX-OAGGEKHMSA-N 2 0 356.511 0.163 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000481162267 250318635 /nfs/dbraw/zinc/31/86/35/250318635.db2.gz CCSWSPWIOMLSNF-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCSC1 ZINC000481794481 250361558 /nfs/dbraw/zinc/36/15/58/250361558.db2.gz JUYZKNOISLUMTK-KRWDZBQOSA-N 2 0 356.536 0.930 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000482013141 250375219 /nfs/dbraw/zinc/37/52/19/250375219.db2.gz FPHBEXDFBCQDCQ-UHFFFAOYSA-N 2 0 351.476 0.105 20 0 FCADRP NC(=O)C[C@H](N)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000269730750 211057168 /nfs/dbraw/zinc/05/71/68/211057168.db2.gz RYTQSOPUWVIZTH-HNNXBMFYSA-N 2 0 361.446 0.642 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@H+](C)C1 ZINC000413171915 532990775 /nfs/dbraw/zinc/99/07/75/532990775.db2.gz NYADBTSSYWGJHP-QGZVFWFLSA-N 2 0 362.474 0.865 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC[N@H+](C)C1 ZINC000413456981 532998093 /nfs/dbraw/zinc/99/80/93/532998093.db2.gz KTDCJEXGYVCONY-JKSUJKDBSA-N 2 0 354.495 0.997 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000067045132 208022910 /nfs/dbraw/zinc/02/29/10/208022910.db2.gz YWIHHANLRUWWKO-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000076464688 208067736 /nfs/dbraw/zinc/06/77/36/208067736.db2.gz WWBZXHMTDQRXET-WMZOPIPTSA-N 2 0 353.507 0.960 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118105346 208348564 /nfs/dbraw/zinc/34/85/64/208348564.db2.gz ZRDOYHLVSRAVDR-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH+]1CCN(CCNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000118872181 208351909 /nfs/dbraw/zinc/35/19/09/208351909.db2.gz BXBMXLQBLIZTJE-UHFFFAOYSA-N 2 0 359.518 0.411 20 0 FCADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000177481804 209025629 /nfs/dbraw/zinc/02/56/29/209025629.db2.gz UBCATZFPNYDCEP-HUUCEWRRSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000177509317 209026051 /nfs/dbraw/zinc/02/60/51/209026051.db2.gz XAHDVVCGPKAXEP-HUUCEWRRSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186477891 229236187 /nfs/dbraw/zinc/23/61/87/229236187.db2.gz WUPOGYKQJQENPU-MNEFBYGVSA-N 2 0 361.486 0.583 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000188765973 229250570 /nfs/dbraw/zinc/25/05/70/229250570.db2.gz IFOLBFDJFAIVLY-HNNXBMFYSA-N 2 0 356.511 0.584 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410441120 230081614 /nfs/dbraw/zinc/08/16/14/230081614.db2.gz XZYIXYOZFAHOFP-QFBILLFUSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000410463303 230088581 /nfs/dbraw/zinc/08/85/81/230088581.db2.gz AOXFFDGAKRTVNE-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CN(C(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497911 230103526 /nfs/dbraw/zinc/10/35/26/230103526.db2.gz LMNMRRZZAJNZRV-RDJZCZTQSA-N 2 0 373.501 0.896 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699590 488895490 /nfs/dbraw/zinc/89/54/90/488895490.db2.gz UHMUAWXRBXBXSQ-WMZOPIPTSA-N 2 0 358.486 0.835 20 0 FCADRP CN(C)c1nccc(N2CCN(c3nc4c(cnn4C)c(N)n3)CC2)n1 ZINC000302899291 488893042 /nfs/dbraw/zinc/89/30/42/488893042.db2.gz SGACTHZFQMKPHE-UHFFFAOYSA-N 2 0 354.422 0.128 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699588 488895177 /nfs/dbraw/zinc/89/51/77/488895177.db2.gz UHMUAWXRBXBXSQ-FUHWJXTLSA-N 2 0 358.486 0.835 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278968272 488907750 /nfs/dbraw/zinc/90/77/50/488907750.db2.gz IQYDEIFLMKVBEI-CJNGLKHVSA-N 2 0 362.478 0.159 20 0 FCADRP C[NH+](C)C/C=C/C(=O)NCCc1csc(NC(=O)/C=C/C[NH+](C)C)n1 ZINC000279271028 488928204 /nfs/dbraw/zinc/92/82/04/488928204.db2.gz YZCIAXXPWDADNU-KQQUZDAGSA-N 2 0 365.503 0.976 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000288122348 488946761 /nfs/dbraw/zinc/94/67/61/488946761.db2.gz JHSHKKFEVXQKEP-KRWDZBQOSA-N 2 0 364.465 0.926 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000562815627 491191674 /nfs/dbraw/zinc/19/16/74/491191674.db2.gz DNRAHZXJOIZLOO-KGLIPLIRSA-N 2 0 365.444 0.804 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000562816080 491191973 /nfs/dbraw/zinc/19/19/73/491191973.db2.gz TXLHAYOBNPQLKE-HOTGVXAUSA-N 2 0 351.495 0.324 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936757 488374767 /nfs/dbraw/zinc/37/47/67/488374767.db2.gz OHKWOXXTIUBXAB-KURKYZTESA-N 2 0 366.506 0.603 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1=O ZINC000072827092 488383028 /nfs/dbraw/zinc/38/30/28/488383028.db2.gz JYJOZKUKUMCGRO-ZWKOTPCHSA-N 2 0 360.502 0.686 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601981 488385296 /nfs/dbraw/zinc/38/52/96/488385296.db2.gz KLDLYMDLFDBAHY-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000074345467 488390657 /nfs/dbraw/zinc/39/06/57/488390657.db2.gz OTTLYWDYAWEQPO-INIZCTEOSA-N 2 0 365.522 0.844 20 0 FCADRP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000074345134 488391211 /nfs/dbraw/zinc/39/12/11/488391211.db2.gz DOAHFWKEMNJJMH-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000562837546 491195110 /nfs/dbraw/zinc/19/51/10/491195110.db2.gz OANIKGPKCFPLAE-CKEIUWERSA-N 2 0 356.536 0.529 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185606715 488401985 /nfs/dbraw/zinc/40/19/85/488401985.db2.gz YQXDTKUQWCUCIJ-KRWDZBQOSA-N 2 0 368.570 0.338 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185732744 488402395 /nfs/dbraw/zinc/40/23/95/488402395.db2.gz NHHCIPGTVBRCQI-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000077776171 488417734 /nfs/dbraw/zinc/41/77/34/488417734.db2.gz SNDIPUBMBXUQNK-UHFFFAOYSA-N 2 0 370.519 0.725 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000085634368 488452132 /nfs/dbraw/zinc/45/21/32/488452132.db2.gz UWPUJIFMTANBAG-FUHWJXTLSA-N 2 0 353.507 0.960 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CN2CCNCC2=O)[NH+]2CCCC2)c1 ZINC000237282584 488455175 /nfs/dbraw/zinc/45/51/75/488455175.db2.gz NOKFUNXBUXKASQ-QGZVFWFLSA-N 2 0 360.458 0.380 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000246931932 488478524 /nfs/dbraw/zinc/47/85/24/488478524.db2.gz HBWPPZPHTRMYAG-FGTMMUONSA-N 2 0 368.522 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247558318 488487943 /nfs/dbraw/zinc/48/79/43/488487943.db2.gz ZWIYIKSYTKOWGY-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248464690 488497154 /nfs/dbraw/zinc/49/71/54/488497154.db2.gz ZQGSLPYNDVMONX-MJGOQNOKSA-N 2 0 364.490 0.365 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047777 488497358 /nfs/dbraw/zinc/49/73/58/488497358.db2.gz KAQMWNAKTJDUFE-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000248636918 488499759 /nfs/dbraw/zinc/49/97/59/488499759.db2.gz QMXGSHDXTWMARW-IKGGRYGDSA-N 2 0 368.522 0.584 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103305526 488500652 /nfs/dbraw/zinc/50/06/52/488500652.db2.gz QBERZBCAKAOODM-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103305350 488500729 /nfs/dbraw/zinc/50/07/29/488500729.db2.gz QBELHFUBLAUCDK-QGZVFWFLSA-N 2 0 365.522 0.668 20 0 FCADRP Cc1cccc2c1ncn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2=O ZINC000103212862 488500794 /nfs/dbraw/zinc/50/07/94/488500794.db2.gz LUDLVMMXCDIMSV-UHFFFAOYSA-N 2 0 359.474 0.657 20 0 FCADRP CN(C)C(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000104102264 488504105 /nfs/dbraw/zinc/50/41/05/488504105.db2.gz QTJDWELMRWZPFN-UHFFFAOYSA-N 2 0 370.519 0.502 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223165 488508444 /nfs/dbraw/zinc/50/84/44/488508444.db2.gz PSZISRSAHOLJKO-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000105233573 488508571 /nfs/dbraw/zinc/50/85/71/488508571.db2.gz PKMAPBWMFYUORC-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CCN1CCO ZINC000250122704 488515420 /nfs/dbraw/zinc/51/54/20/488515420.db2.gz VPDYBFMZXJBBQP-MJGOQNOKSA-N 2 0 360.502 0.500 20 0 FCADRP Nc1ncncc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000271494297 488523007 /nfs/dbraw/zinc/52/30/07/488523007.db2.gz FWKARNLUZUSZOG-UHFFFAOYSA-N 2 0 370.461 0.465 20 0 FCADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000569987703 491208813 /nfs/dbraw/zinc/20/88/13/491208813.db2.gz FEPNUOAECBSLCL-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP C[C@@]1(C[NH3+])CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000261716200 488532445 /nfs/dbraw/zinc/53/24/45/488532445.db2.gz JBANGJKHDIJAIC-FQEVSTJZSA-N 2 0 374.485 0.446 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261730970 488533397 /nfs/dbraw/zinc/53/33/97/488533397.db2.gz JVXDJDJZHLHIKC-INMHGKMJSA-N 2 0 360.458 0.829 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261751679 488534104 /nfs/dbraw/zinc/53/41/04/488534104.db2.gz LFWZKFWCYXSVHJ-SFHVURJKSA-N 2 0 351.447 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757810 488534704 /nfs/dbraw/zinc/53/47/04/488534704.db2.gz JLLXFRLCABSKDO-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP COc1cc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)ccc1OCC[NH+](C)C ZINC000261874234 488539484 /nfs/dbraw/zinc/53/94/84/488539484.db2.gz TYXCLWOFSBZDIF-ZBFHGGJFSA-N 2 0 351.447 0.758 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892226 488540706 /nfs/dbraw/zinc/54/07/06/488540706.db2.gz CGPIAXZPKWDKGB-QZTJIDSGSA-N 2 0 364.534 0.630 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000114602551 488541570 /nfs/dbraw/zinc/54/15/70/488541570.db2.gz CTHMHNIHKCGPFK-SFHVURJKSA-N 2 0 367.538 0.256 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000261921385 488542347 /nfs/dbraw/zinc/54/23/47/488542347.db2.gz XPHVTHLGGTUICJ-ROUUACIJSA-N 2 0 352.523 0.630 20 0 FCADRP Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c(C)o1 ZINC000262021016 488546496 /nfs/dbraw/zinc/54/64/96/488546496.db2.gz GCMYSWXGNVHAAU-UHFFFAOYSA-N 2 0 362.474 0.913 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000262066266 488548775 /nfs/dbraw/zinc/54/87/75/488548775.db2.gz SBEWLNUCJZXPNS-GJZGRUSLSA-N 2 0 356.392 0.653 20 0 FCADRP CN(C)C(=O)c1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000120149797 488560090 /nfs/dbraw/zinc/56/00/90/488560090.db2.gz NDVHDXCSUQDWCO-UHFFFAOYSA-N 2 0 350.467 0.741 20 0 FCADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262431147 488570077 /nfs/dbraw/zinc/57/00/77/488570077.db2.gz BQNVFRXYVHPVRI-IEBWSBKVSA-N 2 0 361.486 0.897 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262453069 488570759 /nfs/dbraw/zinc/57/07/59/488570759.db2.gz WFCRQYZAFPLTFH-HOTGVXAUSA-N 2 0 360.458 0.701 20 0 FCADRP C[NH2+][C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1cnn(C)c1 ZINC000262470475 488571939 /nfs/dbraw/zinc/57/19/39/488571939.db2.gz YEYAMRYBGCQACH-NUJGCVRESA-N 2 0 362.522 0.698 20 0 FCADRP CN1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000262636348 488583848 /nfs/dbraw/zinc/58/38/48/488583848.db2.gz HTPCOUFUPBLZBF-AWEZNQCLSA-N 2 0 366.487 0.561 20 0 FCADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000262674391 488585629 /nfs/dbraw/zinc/58/56/29/488585629.db2.gz SZSYJFQNEXYJAF-QGZVFWFLSA-N 2 0 358.446 0.508 20 0 FCADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262740950 488589350 /nfs/dbraw/zinc/58/93/50/488589350.db2.gz JHUGWMMYGLLLNR-QGZVFWFLSA-N 2 0 361.490 0.992 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1(C)C ZINC000262782730 488593251 /nfs/dbraw/zinc/59/32/51/488593251.db2.gz LKEKJZKXEOKIGY-BEFAXECRSA-N 2 0 366.506 0.286 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262827968 488595744 /nfs/dbraw/zinc/59/57/44/488595744.db2.gz HNPKZTBPDVITTG-KRWDZBQOSA-N 2 0 362.474 0.492 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000262867973 488597374 /nfs/dbraw/zinc/59/73/74/488597374.db2.gz LZCGNOSYHSDYSG-MRXNPFEDSA-N 2 0 358.446 0.590 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cn1 ZINC000262966542 488601183 /nfs/dbraw/zinc/60/11/83/488601183.db2.gz LJCFNCQRZLKASD-RHSMWYFYSA-N 2 0 350.467 0.407 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000263258021 488607860 /nfs/dbraw/zinc/60/78/60/488607860.db2.gz RLPOPBZMSBPQIJ-HNNXBMFYSA-N 2 0 356.536 0.564 20 0 FCADRP Cc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000263278326 488608922 /nfs/dbraw/zinc/60/89/22/488608922.db2.gz ZDIDAUCXZTUATB-YOEHRIQHSA-N 2 0 350.463 0.941 20 0 FCADRP C[C@@H](CO[C@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000131203755 488643517 /nfs/dbraw/zinc/64/35/17/488643517.db2.gz ZRBUSBCXBBTEEJ-RDJZCZTQSA-N 2 0 356.511 0.848 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)CC1 ZINC000132678546 488654983 /nfs/dbraw/zinc/65/49/83/488654983.db2.gz HSMDFPHSONPOIW-UHFFFAOYSA-N 2 0 361.490 0.833 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000133681006 488661105 /nfs/dbraw/zinc/66/11/05/488661105.db2.gz AQONJKRHPPZBIT-HNNXBMFYSA-N 2 0 352.483 0.877 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000136826676 488679363 /nfs/dbraw/zinc/67/93/63/488679363.db2.gz JBYZPTZFIWBXAT-QGZVFWFLSA-N 2 0 365.522 0.666 20 0 FCADRP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000137063296 488679846 /nfs/dbraw/zinc/67/98/46/488679846.db2.gz XCWFICMWSQODGK-MRXNPFEDSA-N 2 0 363.506 0.635 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000138884156 488683488 /nfs/dbraw/zinc/68/34/88/488683488.db2.gz YMQUMYPYZOWDJK-QGZVFWFLSA-N 2 0 365.522 0.666 20 0 FCADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)Cc1ccccc1 ZINC000264666134 488696259 /nfs/dbraw/zinc/69/62/59/488696259.db2.gz ZOXUNYFXJBGKOF-QGZVFWFLSA-N 2 0 361.490 0.757 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@H+](CC)CCO)c1 ZINC000274406171 488705457 /nfs/dbraw/zinc/70/54/57/488705457.db2.gz FUIWFJROKICNNV-UHFFFAOYSA-N 2 0 364.490 0.897 20 0 FCADRP CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(N)=O ZINC000274453538 488709308 /nfs/dbraw/zinc/70/93/08/488709308.db2.gz ZDNPVNBXVOGCEZ-MRXNPFEDSA-N 2 0 362.478 0.403 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000563089783 491214448 /nfs/dbraw/zinc/21/44/48/491214448.db2.gz UZCQMSGHLKLWPN-LSDHHAIUSA-N 2 0 354.495 0.106 20 0 FCADRP C[C@@H](NC(=O)[C@H](C[NH3+])c1ccc(F)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000563095406 491214785 /nfs/dbraw/zinc/21/47/85/491214785.db2.gz RSTUVEFGJOOZCK-RHSMWYFYSA-N 2 0 364.465 0.975 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)c1 ZINC000153170917 488727976 /nfs/dbraw/zinc/72/79/76/488727976.db2.gz PSIVSMDDGKTYQF-HXUWFJFHSA-N 2 0 362.518 0.936 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1=O ZINC000154646838 488745926 /nfs/dbraw/zinc/74/59/26/488745926.db2.gz DQBMBPFGPJVMMP-MRXNPFEDSA-N 2 0 364.465 0.914 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000156106938 488762108 /nfs/dbraw/zinc/76/21/08/488762108.db2.gz YSGOVVAGILOHJM-SQNIBIBYSA-N 2 0 368.522 0.726 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000156106684 488762117 /nfs/dbraw/zinc/76/21/17/488762117.db2.gz YSGOVVAGILOHJM-KURKYZTESA-N 2 0 368.522 0.726 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000267121158 488763078 /nfs/dbraw/zinc/76/30/78/488763078.db2.gz OBWYPCPUDDTTTQ-UHFFFAOYSA-N 2 0 361.490 0.167 20 0 FCADRP COCC1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000563147696 491221058 /nfs/dbraw/zinc/22/10/58/491221058.db2.gz VIEHFJIUUACHRN-UHFFFAOYSA-N 2 0 356.511 0.213 20 0 FCADRP C[N@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CCSC1 ZINC000157863120 488774286 /nfs/dbraw/zinc/77/42/86/488774286.db2.gz DLKUFGJPNGSCDK-HUUCEWRRSA-N 2 0 354.520 0.189 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000159339065 488784830 /nfs/dbraw/zinc/78/48/30/488784830.db2.gz QFSOJPZGSUBMKO-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162578748 488803092 /nfs/dbraw/zinc/80/30/92/488803092.db2.gz UOADSAHFDAHKEZ-OAHLLOKOSA-N 2 0 354.520 0.883 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000570187117 491223160 /nfs/dbraw/zinc/22/31/60/491223160.db2.gz QGEAJZXOVQHLNN-UHFFFAOYSA-N 2 0 361.490 0.759 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000171657253 488825098 /nfs/dbraw/zinc/82/50/98/488825098.db2.gz KUPZKCHTMVJZGT-KRWDZBQOSA-N 2 0 367.465 0.955 20 0 FCADRP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172159258 488830765 /nfs/dbraw/zinc/83/07/65/488830765.db2.gz OMBWBIPQQNCHOC-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000268047698 488836187 /nfs/dbraw/zinc/83/61/87/488836187.db2.gz NIABDQARBLMRQB-HNNXBMFYSA-N 2 0 350.463 0.580 20 0 FCADRP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000172809975 488838319 /nfs/dbraw/zinc/83/83/19/488838319.db2.gz LKDBPBZWURWPCY-GOSISDBHSA-N 2 0 374.533 0.346 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962259 488846441 /nfs/dbraw/zinc/84/64/41/488846441.db2.gz XEVOROUSEVRVQJ-CQSZACIVSA-N 2 0 352.479 0.940 20 0 FCADRP Cn1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(=O)n(C)c1=O ZINC000173946812 488846513 /nfs/dbraw/zinc/84/65/13/488846513.db2.gz LWNPNFWIFZCLBZ-UHFFFAOYSA-N 2 0 350.463 0.161 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000174778689 488851234 /nfs/dbraw/zinc/85/12/34/488851234.db2.gz MIHFGIPVSKVMHX-QFBILLFUSA-N 2 0 372.513 0.960 20 0 FCADRP CC(=O)N1CCC[NH+](CCOCC[N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000178592522 488860529 /nfs/dbraw/zinc/86/05/29/488860529.db2.gz GDZPSKVDFRSXTG-UHFFFAOYSA-N 2 0 354.495 0.111 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000563201172 491226908 /nfs/dbraw/zinc/22/69/08/491226908.db2.gz OIWRHPQPXCUTCW-UHFFFAOYSA-N 2 0 373.501 0.379 20 0 FCADRP O=C(CSCC(=O)NCC[N@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000280335439 488999534 /nfs/dbraw/zinc/99/95/34/488999534.db2.gz VRNFMKFSROGHAO-UHFFFAOYSA-N 2 0 366.531 0.476 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@@H+]1C1CC1 ZINC000570245349 491227857 /nfs/dbraw/zinc/22/78/57/491227857.db2.gz VWXGZWKQLWQQHS-LSDHHAIUSA-N 2 0 366.506 0.033 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288754610 489012581 /nfs/dbraw/zinc/01/25/81/489012581.db2.gz YKMLEXGBLCSUOX-UHFFFAOYSA-N 2 0 367.494 0.790 20 0 FCADRP C[C@@H](CO)[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916733 489016928 /nfs/dbraw/zinc/01/69/28/489016928.db2.gz OLACQGPJBJNYNY-PKOBYXMFSA-N 2 0 362.518 0.794 20 0 FCADRP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000563215755 491228477 /nfs/dbraw/zinc/22/84/77/491228477.db2.gz SEDLESANKDXTDD-GOSISDBHSA-N 2 0 372.517 0.100 20 0 FCADRP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329975032 489056762 /nfs/dbraw/zinc/05/67/62/489056762.db2.gz ZKUNSNCLDOOBFU-KKUMJFAQSA-N 2 0 358.483 0.699 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289301194 489056815 /nfs/dbraw/zinc/05/68/15/489056815.db2.gz SCLMEXBFVJPLLH-FQEVSTJZSA-N 2 0 371.529 0.705 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000289323521 489058657 /nfs/dbraw/zinc/05/86/57/489058657.db2.gz LBPLFKQDHOLXRJ-GOSISDBHSA-N 2 0 360.502 0.960 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000289379761 489062825 /nfs/dbraw/zinc/06/28/25/489062825.db2.gz NMQDECKPVAXAFF-UHFFFAOYSA-N 2 0 360.502 0.961 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000365389827 489070926 /nfs/dbraw/zinc/07/09/26/489070926.db2.gz YXHRLLLPWPJPCX-UHFFFAOYSA-N 2 0 358.490 0.895 20 0 FCADRP Cn1ccnc1[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000365619895 489093638 /nfs/dbraw/zinc/09/36/38/489093638.db2.gz CEABTGJDEYXWCM-CYBMUJFWSA-N 2 0 371.445 0.047 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365690110 489100649 /nfs/dbraw/zinc/10/06/49/489100649.db2.gz DBUICCSMHQIPCC-OGHNNQOOSA-N 2 0 350.467 0.305 20 0 FCADRP Cc1oc(S(N)(=O)=O)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000281746552 489102882 /nfs/dbraw/zinc/10/28/82/489102882.db2.gz YIOKSMIWJNOASB-UHFFFAOYSA-N 2 0 374.507 0.581 20 0 FCADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290253610 489124787 /nfs/dbraw/zinc/12/47/87/489124787.db2.gz WPPLVCSXAAGMOB-DLBZAZTESA-N 2 0 361.490 0.416 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365942091 489128333 /nfs/dbraw/zinc/12/83/33/489128333.db2.gz RXJSCINAIJRZAO-AWEZNQCLSA-N 2 0 364.494 0.935 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000366173955 489154753 /nfs/dbraw/zinc/15/47/53/489154753.db2.gz NHMQRVYTSDYJBH-HOTGVXAUSA-N 2 0 374.485 0.752 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172646 489154846 /nfs/dbraw/zinc/15/48/46/489154846.db2.gz SIUXFHBEJZIWPY-PKOBYXMFSA-N 2 0 351.539 0.997 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331386325 489204843 /nfs/dbraw/zinc/20/48/43/489204843.db2.gz IAFQLQAPBZAQHA-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000331447978 489212787 /nfs/dbraw/zinc/21/27/87/489212787.db2.gz SPAJTBJGBCJXMQ-TWMKSMIVSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)(N2CCOCC2)CC1 ZINC000563370159 491239951 /nfs/dbraw/zinc/23/99/51/491239951.db2.gz KKIFEYLLUQBRAI-UHFFFAOYSA-N 2 0 374.485 0.904 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000332484694 489219429 /nfs/dbraw/zinc/21/94/29/489219429.db2.gz APULVVVHPITFCZ-INIZCTEOSA-N 2 0 360.506 0.787 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690134 489224874 /nfs/dbraw/zinc/22/48/74/489224874.db2.gz FERKQZXRVYQHEN-RHSMWYFYSA-N 2 0 357.458 0.701 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283231462 489230854 /nfs/dbraw/zinc/23/08/54/489230854.db2.gz AIGUJDQGVOHURB-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000333003135 489255623 /nfs/dbraw/zinc/25/56/23/489255623.db2.gz LOJFFWLTJMITDR-IKGGRYGDSA-N 2 0 354.495 0.336 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283620647 489282044 /nfs/dbraw/zinc/28/20/44/489282044.db2.gz XMRZZYAZJPOJPW-KRWDZBQOSA-N 2 0 362.474 0.072 20 0 FCADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)CC1 ZINC000369899720 489289090 /nfs/dbraw/zinc/28/90/90/489289090.db2.gz JONAZASCDDDBGM-KRWDZBQOSA-N 2 0 359.474 0.957 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263617 489308156 /nfs/dbraw/zinc/30/81/56/489308156.db2.gz KXYNRCMSSFWXFY-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563448716 491247859 /nfs/dbraw/zinc/24/78/59/491247859.db2.gz LXYUZBNTFDTJFB-HOCLYGCPSA-N 2 0 361.446 0.403 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452345 491248636 /nfs/dbraw/zinc/24/86/36/491248636.db2.gz WGHZEIVDZSXFTN-IXDOHACOSA-N 2 0 363.506 0.737 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000359870676 489357697 /nfs/dbraw/zinc/35/76/97/489357697.db2.gz MJDIMBKMIXMYDM-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000370468563 489363588 /nfs/dbraw/zinc/36/35/88/489363588.db2.gz JKVCGOUDNSCULL-PASDCYSWSA-N 2 0 353.507 0.992 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236331 489371912 /nfs/dbraw/zinc/37/19/12/489371912.db2.gz UNWSJFBDSDQLLH-MOPGFXCFSA-N 2 0 360.502 0.860 20 0 FCADRP O=C1OC[C@@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000370546231 489373078 /nfs/dbraw/zinc/37/30/78/489373078.db2.gz KVEPULWBQVHEBL-HOTGVXAUSA-N 2 0 366.462 0.820 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000299010563 489394408 /nfs/dbraw/zinc/39/44/08/489394408.db2.gz AREYGBYNEIQRCK-UHFFFAOYSA-N 2 0 371.489 0.689 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858863 489401834 /nfs/dbraw/zinc/40/18/34/489401834.db2.gz GTUPVWQLGPLJCE-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000299186191 489414874 /nfs/dbraw/zinc/41/48/74/489414874.db2.gz RAYLGDVZMLUKBA-UHFFFAOYSA-N 2 0 370.444 0.875 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363069805 489418800 /nfs/dbraw/zinc/41/88/00/489418800.db2.gz ARHIRQDXKZVQEZ-UHFFFAOYSA-N 2 0 356.511 0.709 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563600909 491257402 /nfs/dbraw/zinc/25/74/02/491257402.db2.gz RJLLTCIMJMHOMQ-HZPDHXFCSA-N 2 0 365.522 0.618 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021150 489439069 /nfs/dbraw/zinc/43/90/69/489439069.db2.gz XQHUVNWAPVDDRL-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000371025340 489439644 /nfs/dbraw/zinc/43/96/44/489439644.db2.gz AKRJFKDBSDZKHE-SFHVURJKSA-N 2 0 365.522 0.130 20 0 FCADRP COC(=O)CCNC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363359759 489457313 /nfs/dbraw/zinc/45/73/13/489457313.db2.gz YATMFBAELHBWBC-HZPDHXFCSA-N 2 0 369.506 0.877 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271463 489472286 /nfs/dbraw/zinc/47/22/86/489472286.db2.gz RATUODGLXANQPZ-QFBILLFUSA-N 2 0 362.449 0.702 20 0 FCADRP COc1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccn1 ZINC000287258013 489473237 /nfs/dbraw/zinc/47/32/37/489473237.db2.gz ATJSZUMRJJJYAE-UHFFFAOYSA-N 2 0 365.478 0.761 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1CCOC ZINC000371354560 489480023 /nfs/dbraw/zinc/48/00/23/489480023.db2.gz USLWBLZCUAPUIR-KURKYZTESA-N 2 0 368.522 0.992 20 0 FCADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000563594948 491256871 /nfs/dbraw/zinc/25/68/71/491256871.db2.gz DDCDUGUQMUEFAT-KRWDZBQOSA-N 2 0 373.501 0.582 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423091043 489492497 /nfs/dbraw/zinc/49/24/97/489492497.db2.gz ZAXCDHOCBKXFHS-INIZCTEOSA-N 2 0 354.495 0.143 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000563600554 491256978 /nfs/dbraw/zinc/25/69/78/491256978.db2.gz GRNAEBLQKUAAMP-AEFFLSMTSA-N 2 0 354.495 0.509 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423145852 489496570 /nfs/dbraw/zinc/49/65/70/489496570.db2.gz MVUQYNIWMISALV-BPQIPLTHSA-N 2 0 358.486 0.915 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423149118 489496940 /nfs/dbraw/zinc/49/69/40/489496940.db2.gz XCRWLCBAGUCDBK-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000423145947 489496993 /nfs/dbraw/zinc/49/69/93/489496993.db2.gz NEZTYZHAPQEJPK-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC000423163261 489498362 /nfs/dbraw/zinc/49/83/62/489498362.db2.gz MIJHOTOHQQOVTP-GJZGRUSLSA-N 2 0 364.465 0.925 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423171161 489499445 /nfs/dbraw/zinc/49/94/45/489499445.db2.gz ZNVIWNFFYCIDDJ-FUHWJXTLSA-N 2 0 373.501 0.715 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000423174836 489499468 /nfs/dbraw/zinc/49/94/68/489499468.db2.gz CEUAVHUKHQETEM-HRCADAONSA-N 2 0 364.490 0.051 20 0 FCADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CCC2 ZINC000423190592 489500715 /nfs/dbraw/zinc/50/07/15/489500715.db2.gz STYZESOJZMIYEJ-KRWDZBQOSA-N 2 0 352.504 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000423198814 489501356 /nfs/dbraw/zinc/50/13/56/489501356.db2.gz ICCAFVLVXMLLMK-QGZVFWFLSA-N 2 0 360.502 0.830 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423203188 489502032 /nfs/dbraw/zinc/50/20/32/489502032.db2.gz MJZVSRVXGPMSSC-CQSZACIVSA-N 2 0 354.401 0.415 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423200215 489502225 /nfs/dbraw/zinc/50/22/25/489502225.db2.gz DYJFZSFTHMEBCP-AWEZNQCLSA-N 2 0 368.428 0.662 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000423220923 489504510 /nfs/dbraw/zinc/50/45/10/489504510.db2.gz YWZFGZLIWHUQJZ-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423234474 489506380 /nfs/dbraw/zinc/50/63/80/489506380.db2.gz PNDDBYBEXOTKQL-UHFFFAOYSA-N 2 0 360.502 0.831 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423240645 489506590 /nfs/dbraw/zinc/50/65/90/489506590.db2.gz KUDVOCWURVOCOF-NXHRZFHOSA-N 2 0 358.486 0.740 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423256628 489507681 /nfs/dbraw/zinc/50/76/81/489507681.db2.gz CHIILWZWKKLSAL-ZWKOTPCHSA-N 2 0 358.486 0.740 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423259039 489508286 /nfs/dbraw/zinc/50/82/86/489508286.db2.gz CZUYQBBUOYOMBC-OAHLLOKOSA-N 2 0 356.511 0.389 20 0 FCADRP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000423261764 489508707 /nfs/dbraw/zinc/50/87/07/489508707.db2.gz KRLRJQKXAOJXRY-HDICACEKSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423272825 489509738 /nfs/dbraw/zinc/50/97/38/489509738.db2.gz ZMDPZHJMAQDFCT-KRWDZBQOSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415310986 489514663 /nfs/dbraw/zinc/51/46/63/489514663.db2.gz YISNNDBWDXOQEC-UHFFFAOYSA-N 2 0 350.488 0.900 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000563638014 491260015 /nfs/dbraw/zinc/26/00/15/491260015.db2.gz QXIFQVICXHBJTF-WCXIOVBPSA-N 2 0 357.458 0.385 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000415404610 489517720 /nfs/dbraw/zinc/51/77/20/489517720.db2.gz NGMRAIJKPRLLBU-HNNXBMFYSA-N 2 0 362.474 0.990 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000415454395 489522392 /nfs/dbraw/zinc/52/23/92/489522392.db2.gz NZNKNABDVDFMCK-SFHVURJKSA-N 2 0 373.501 0.616 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000415471706 489524003 /nfs/dbraw/zinc/52/40/03/489524003.db2.gz RJUBRYNRHSGOPI-GOSISDBHSA-N 2 0 373.501 0.712 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949407 489527545 /nfs/dbraw/zinc/52/75/45/489527545.db2.gz VHDJDTCOOLPUBQ-ROUUACIJSA-N 2 0 367.538 0.517 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)c2)CC1 ZINC000415551163 489529197 /nfs/dbraw/zinc/52/91/97/489529197.db2.gz DBMYHXMXMVBNSG-HOTGVXAUSA-N 2 0 373.501 0.976 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCO1 ZINC000415606690 489536332 /nfs/dbraw/zinc/53/63/32/489536332.db2.gz YZKVFJSQAQLKHO-SFHVURJKSA-N 2 0 374.485 0.840 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000372099645 489544253 /nfs/dbraw/zinc/54/42/53/489544253.db2.gz XFCXVWKSMUQHIF-LJQANCHMSA-N 2 0 362.449 0.830 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415736845 489548768 /nfs/dbraw/zinc/54/87/68/489548768.db2.gz BWYQSGIUYTYGDL-HOTGVXAUSA-N 2 0 374.485 0.942 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415827227 489556514 /nfs/dbraw/zinc/55/65/14/489556514.db2.gz COVHLYRTGZYREO-QGZVFWFLSA-N 2 0 362.474 0.962 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415826128 489556549 /nfs/dbraw/zinc/55/65/49/489556549.db2.gz ZVPTYGXNBWJIQB-LSDHHAIUSA-N 2 0 368.441 1.054 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415893264 489564007 /nfs/dbraw/zinc/56/40/07/489564007.db2.gz MTDSAWBDOKLINR-CABCVRRESA-N 2 0 360.458 0.633 20 0 FCADRP Cc1cccc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312360 489569824 /nfs/dbraw/zinc/56/98/24/489569824.db2.gz WFIXUFFERHHICF-PMACEKPBSA-N 2 0 372.513 0.874 20 0 FCADRP O=C(CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH2+]CC1 ZINC000563693434 491263526 /nfs/dbraw/zinc/26/35/26/491263526.db2.gz ZXINUCJQQPXTML-MRXNPFEDSA-N 2 0 351.495 0.515 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000416145421 489571486 /nfs/dbraw/zinc/57/14/86/489571486.db2.gz LNXNLMWYTCXGKT-LBPRGKRZSA-N 2 0 367.450 0.385 20 0 FCADRP O=C(CNC(=O)N1CCN(C/C=C\c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000570785854 491264400 /nfs/dbraw/zinc/26/44/00/491264400.db2.gz AQBJMORTBSLBDD-DAXSKMNVSA-N 2 0 371.485 0.459 20 0 FCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000563709579 491264884 /nfs/dbraw/zinc/26/48/84/491264884.db2.gz SYGRKGYBANLQRR-DLBZAZTESA-N 2 0 360.506 0.883 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128034 489595732 /nfs/dbraw/zinc/59/57/32/489595732.db2.gz JFEYXALUJKYFTF-HOTGVXAUSA-N 2 0 374.489 0.831 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000555681053 491265516 /nfs/dbraw/zinc/26/55/16/491265516.db2.gz CQXOBRVMCAFISZ-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000427298215 489601246 /nfs/dbraw/zinc/60/12/46/489601246.db2.gz AJHZICJXQCPMAK-DZGCQCFKSA-N 2 0 362.478 0.687 20 0 FCADRP CC1CC[NH+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000416877398 489632529 /nfs/dbraw/zinc/63/25/29/489632529.db2.gz UKWYSTASEBHAHH-INIZCTEOSA-N 2 0 353.511 0.605 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417012531 489638539 /nfs/dbraw/zinc/63/85/39/489638539.db2.gz AMJQVQGZHIMILT-LJQANCHMSA-N 2 0 374.533 0.402 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030854 489639387 /nfs/dbraw/zinc/63/93/87/489639387.db2.gz PSTIGWITMCEHQI-KGLIPLIRSA-N 2 0 365.444 0.996 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417079747 489640535 /nfs/dbraw/zinc/64/05/35/489640535.db2.gz VYBKAVFSLCKGBS-OCCSQVGLSA-N 2 0 363.428 0.606 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000417363656 489649413 /nfs/dbraw/zinc/64/94/13/489649413.db2.gz GIRLMUTVEBCSSN-IRXDYDNUSA-N 3 0 360.506 0.986 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000417363649 489649606 /nfs/dbraw/zinc/64/96/06/489649606.db2.gz AUPBRSUSPGMPMB-SJORKVTESA-N 3 0 360.506 0.986 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000457614654 489651731 /nfs/dbraw/zinc/65/17/31/489651731.db2.gz XDTHZYQQFFKVMT-IRXDYDNUSA-N 2 0 356.511 0.489 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417428143 489652645 /nfs/dbraw/zinc/65/26/45/489652645.db2.gz KFBUEXNQMOXLCF-JKSUJKDBSA-N 2 0 353.511 0.761 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417429272 489652912 /nfs/dbraw/zinc/65/29/12/489652912.db2.gz MTKUCNFEGRZLRF-BBWFWOEESA-N 2 0 365.522 0.616 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417572044 489658973 /nfs/dbraw/zinc/65/89/73/489658973.db2.gz YACAIIAPPHUQMN-ZBFHGGJFSA-N 2 0 353.511 0.746 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582723 489659038 /nfs/dbraw/zinc/65/90/38/489659038.db2.gz JFDFSSLUYKBHEK-UONOGXRCSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCCC1 ZINC000428636144 489659235 /nfs/dbraw/zinc/65/92/35/489659235.db2.gz YOJINWLTMUKKRC-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000417594330 489659662 /nfs/dbraw/zinc/65/96/62/489659662.db2.gz MDZUFMBWAAIELJ-SFHVURJKSA-N 2 0 362.474 0.949 20 0 FCADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417622628 489660283 /nfs/dbraw/zinc/66/02/83/489660283.db2.gz HSPXUIQBFTYGAP-HUUCEWRRSA-N 2 0 356.536 0.618 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000417668887 489661212 /nfs/dbraw/zinc/66/12/12/489661212.db2.gz KRBLRGJLLCKAHE-BBWFWOEESA-N 2 0 356.511 0.801 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000417781582 489665337 /nfs/dbraw/zinc/66/53/37/489665337.db2.gz KBSKBOKRKNJDIJ-SWLSCSKDSA-N 2 0 354.476 0.770 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417821823 489667600 /nfs/dbraw/zinc/66/76/00/489667600.db2.gz WKIRNBJYMCWMCV-ZDUSSCGKSA-N 2 0 353.433 0.854 20 0 FCADRP C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000417851745 489668651 /nfs/dbraw/zinc/66/86/51/489668651.db2.gz GDBRPNFIYNMZOR-HZPDHXFCSA-N 2 0 367.538 0.816 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000417847210 489668702 /nfs/dbraw/zinc/66/87/02/489668702.db2.gz AGUDAUYCKRPGNN-IIAWOOMASA-N 2 0 351.495 0.641 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000417993663 489674761 /nfs/dbraw/zinc/67/47/61/489674761.db2.gz AUGGKTLCNGUJIM-AGIUHOORSA-N 2 0 351.417 0.604 20 0 FCADRP [NH3+]CCN(CCO)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418075438 489677770 /nfs/dbraw/zinc/67/77/70/489677770.db2.gz PRDZSWWQLDJBCG-QGZVFWFLSA-N 2 0 350.463 0.240 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000458390512 489680297 /nfs/dbraw/zinc/68/02/97/489680297.db2.gz IDRMTJJKISBJGP-SFHVURJKSA-N 2 0 369.554 0.502 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000458406359 489681350 /nfs/dbraw/zinc/68/13/50/489681350.db2.gz CBKPRFWMAMNKCG-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205920 489685164 /nfs/dbraw/zinc/68/51/64/489685164.db2.gz ZVGYIWLORUJOGF-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000418263670 489686640 /nfs/dbraw/zinc/68/66/40/489686640.db2.gz JWKVPLYPGCONLQ-MRXNPFEDSA-N 2 0 365.522 0.714 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000418263665 489686932 /nfs/dbraw/zinc/68/69/32/489686932.db2.gz JWKVPLYPGCONLQ-INIZCTEOSA-N 2 0 365.522 0.714 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000418283887 489687614 /nfs/dbraw/zinc/68/76/14/489687614.db2.gz AQWGDCRNBALRCW-UHFFFAOYSA-N 2 0 362.478 0.217 20 0 FCADRP C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418313590 489691166 /nfs/dbraw/zinc/69/11/66/489691166.db2.gz QQAWTPCTZYPOOD-JKSUJKDBSA-N 2 0 353.511 0.666 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418306106 489691271 /nfs/dbraw/zinc/69/12/71/489691271.db2.gz QKGVUJZKHIJZLF-YOEHRIQHSA-N 2 0 367.444 0.615 20 0 FCADRP CCc1nnc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)[nH]1 ZINC000458883562 489706266 /nfs/dbraw/zinc/70/62/66/489706266.db2.gz CIAFUWGKLJRJHE-CQSZACIVSA-N 2 0 351.499 0.925 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CCCC2)C1 ZINC000570918585 491273357 /nfs/dbraw/zinc/27/33/57/491273357.db2.gz DUOPPCGOVWKDCX-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP COCCN(CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCO[C@H]1C ZINC000489406563 489710272 /nfs/dbraw/zinc/71/02/72/489710272.db2.gz QBRCVTMNNZVDRU-HOTGVXAUSA-N 2 0 357.495 0.339 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418609598 489710438 /nfs/dbraw/zinc/71/04/38/489710438.db2.gz GAWVVNWSWMBUJP-XQQFMLRXSA-N 2 0 351.417 0.591 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000418617876 489710887 /nfs/dbraw/zinc/71/08/87/489710887.db2.gz NRADRKACAZSLME-FRRDWIJNSA-N 2 0 351.417 0.591 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418620076 489710996 /nfs/dbraw/zinc/71/09/96/489710996.db2.gz QILXSGGFAOSLJP-NFMDPKQHSA-N 2 0 363.428 0.638 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623658 489711882 /nfs/dbraw/zinc/71/18/82/489711882.db2.gz XIIJORFERLKJSL-OLZOCXBDSA-N 2 0 351.417 0.558 20 0 FCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418651154 489715720 /nfs/dbraw/zinc/71/57/20/489715720.db2.gz LDBMIXVWAIJCEY-RDJZCZTQSA-N 2 0 361.490 0.745 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418660015 489716446 /nfs/dbraw/zinc/71/64/46/489716446.db2.gz WRLFDAXVVRCHGB-AEFFLSMTSA-N 2 0 356.511 0.897 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000418670399 489717382 /nfs/dbraw/zinc/71/73/82/489717382.db2.gz QRAIYMBNBRKIQX-QAQDUYKDSA-N 2 0 365.522 0.701 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418756087 489722971 /nfs/dbraw/zinc/72/29/71/489722971.db2.gz COFVMWJAOWZSLN-FGTMMUONSA-N 2 0 362.474 0.157 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418772208 489725029 /nfs/dbraw/zinc/72/50/29/489725029.db2.gz SMFZMQOCIHABJQ-KRWDZBQOSA-N 2 0 354.495 0.509 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418776706 489725930 /nfs/dbraw/zinc/72/59/30/489725930.db2.gz GKTFODKWKCFCRC-QGZVFWFLSA-N 2 0 373.501 0.183 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418795495 489728648 /nfs/dbraw/zinc/72/86/48/489728648.db2.gz SBSIMGREAHGHPQ-SFHVURJKSA-N 2 0 368.522 0.899 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000418806887 489731612 /nfs/dbraw/zinc/73/16/12/489731612.db2.gz PFEDMCLWXSUQOL-UHFFFAOYSA-N 2 0 366.506 0.254 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807359 489732263 /nfs/dbraw/zinc/73/22/63/489732263.db2.gz PTVCAPWHCBAQRD-INIZCTEOSA-N 2 0 368.522 0.485 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807845 489732911 /nfs/dbraw/zinc/73/29/11/489732911.db2.gz QIFDLEMRMRMOIQ-KBPBESRZSA-N 2 0 354.495 0.454 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418808162 489733099 /nfs/dbraw/zinc/73/30/99/489733099.db2.gz QQRKEICYGCQZDY-MRXNPFEDSA-N 2 0 366.506 0.239 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418809092 489734038 /nfs/dbraw/zinc/73/40/38/489734038.db2.gz FUWHSBVVFUZYLC-IRXDYDNUSA-N 2 0 362.474 0.290 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000418825174 489740426 /nfs/dbraw/zinc/74/04/26/489740426.db2.gz UERCKBFPVGPYRE-BZSNNMDCSA-N 2 0 358.486 0.782 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418827346 489742033 /nfs/dbraw/zinc/74/20/33/489742033.db2.gz GSUVDZCWWCOCRX-MGPQQGTHSA-N 2 0 368.503 0.432 20 0 FCADRP [NH3+]CCCOC1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000430585209 489748439 /nfs/dbraw/zinc/74/84/39/489748439.db2.gz RLGJUAADCNEKPN-UHFFFAOYSA-N 2 0 368.522 0.725 20 0 FCADRP CCn1ncnc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000474242612 489748852 /nfs/dbraw/zinc/74/88/52/489748852.db2.gz PCGZGDJKCXKOKY-UHFFFAOYSA-N 2 0 372.477 0.705 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418841611 489751240 /nfs/dbraw/zinc/75/12/40/489751240.db2.gz GVQCPCBWJLZTGL-UONOGXRCSA-N 2 0 352.504 0.973 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000418842366 489752369 /nfs/dbraw/zinc/75/23/69/489752369.db2.gz ZVWUJWCTHZTNFR-SOLBZPMBSA-N 2 0 374.485 0.212 20 0 FCADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613243 489753017 /nfs/dbraw/zinc/75/30/17/489753017.db2.gz UUJGIILNMIMCFB-INMHGKMJSA-N 2 0 374.485 0.802 20 0 FCADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614844 489754009 /nfs/dbraw/zinc/75/40/09/489754009.db2.gz AMALLCAWZMHLGQ-SFHVURJKSA-N 2 0 358.486 0.789 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418848348 489754288 /nfs/dbraw/zinc/75/42/88/489754288.db2.gz LHEGOOIXBLBXSZ-NJAFHUGGSA-N 2 0 360.502 0.719 20 0 FCADRP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430619530 489754863 /nfs/dbraw/zinc/75/48/63/489754863.db2.gz GFVRXCZUJNYXJK-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848895 489755810 /nfs/dbraw/zinc/75/58/10/489755810.db2.gz LVRMAYKQILSTPM-YLJYHZDGSA-N 2 0 358.486 0.488 20 0 FCADRP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624454 489756167 /nfs/dbraw/zinc/75/61/67/489756167.db2.gz IGFDENHEMNDRAB-ZFWWWQNUSA-N 2 0 350.438 0.617 20 0 FCADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626996 489757209 /nfs/dbraw/zinc/75/72/09/489757209.db2.gz LPHMBEUTJFDROA-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418852295 489757439 /nfs/dbraw/zinc/75/74/39/489757439.db2.gz QSHACRPPGDKEGB-GDBMZVCRSA-N 2 0 360.458 0.508 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418852296 489757517 /nfs/dbraw/zinc/75/75/17/489757517.db2.gz QSHACRPPGDKEGB-GOEBONIOSA-N 2 0 360.458 0.508 20 0 FCADRP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640875 489760595 /nfs/dbraw/zinc/76/05/95/489760595.db2.gz LFNQHUFXSYEMAC-HKUYNNGSSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418859764 489761551 /nfs/dbraw/zinc/76/15/51/489761551.db2.gz KTPNLTGVRGVCSW-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000418861137 489762245 /nfs/dbraw/zinc/76/22/45/489762245.db2.gz MQCNDCDBPRKVLN-UONOGXRCSA-N 2 0 366.487 0.187 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418860672 489762635 /nfs/dbraw/zinc/76/26/35/489762635.db2.gz MALUNBIVTNGMCT-PXNSSMCTSA-N 2 0 356.470 0.589 20 0 FCADRP C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)CC(=O)N1CC[NH2+]CC1 ZINC000430661960 489762891 /nfs/dbraw/zinc/76/28/91/489762891.db2.gz HAQCVKSJOOLPAM-UHFFFAOYSA-N 2 0 371.489 0.874 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000430654113 489763618 /nfs/dbraw/zinc/76/36/18/489763618.db2.gz PNSZFLQHJOCTNW-MRXNPFEDSA-N 2 0 358.486 0.969 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418863222 489763764 /nfs/dbraw/zinc/76/37/64/489763764.db2.gz PCJMFUXRKIFFFR-HCXYKTFWSA-N 2 0 370.497 0.881 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418863725 489763842 /nfs/dbraw/zinc/76/38/42/489763842.db2.gz PQXHNWGORLPZSX-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671073 489764443 /nfs/dbraw/zinc/76/44/43/489764443.db2.gz XBQDUXGDXDGGIB-LSDHHAIUSA-N 2 0 367.494 0.001 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418865336 489764563 /nfs/dbraw/zinc/76/45/63/489764563.db2.gz RKLGGUKUUVFWHH-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418866809 489765718 /nfs/dbraw/zinc/76/57/18/489765718.db2.gz UCBWRESWLQJDBF-QRTARXTBSA-N 2 0 362.474 0.610 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418867966 489765811 /nfs/dbraw/zinc/76/58/11/489765811.db2.gz VKCCHZTYRYWZSV-UONOGXRCSA-N 2 0 350.488 0.808 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418867947 489766243 /nfs/dbraw/zinc/76/62/43/489766243.db2.gz VHWJTGKJOCLCOA-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418875046 489769924 /nfs/dbraw/zinc/76/99/24/489769924.db2.gz CMAGATGWEMMEAY-HNNXBMFYSA-N 2 0 354.495 0.381 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418875543 489769982 /nfs/dbraw/zinc/76/99/82/489769982.db2.gz KORLLWNNMLGULO-KRWDZBQOSA-N 2 0 362.474 0.674 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cn1 ZINC000430792408 489770538 /nfs/dbraw/zinc/77/05/38/489770538.db2.gz RDDUGHAZWRNDDZ-HOTGVXAUSA-N 2 0 364.494 0.797 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cn1 ZINC000430792409 489770646 /nfs/dbraw/zinc/77/06/46/489770646.db2.gz RDDUGHAZWRNDDZ-HZPDHXFCSA-N 2 0 364.494 0.797 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@H]1C[NH3+] ZINC000418878110 489770762 /nfs/dbraw/zinc/77/07/62/489770762.db2.gz QFNTVLXQXBVVQJ-NJAFHUGGSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418879000 489770806 /nfs/dbraw/zinc/77/08/06/489770806.db2.gz MVLMNFUEPWSAGQ-HOCLYGCPSA-N 2 0 354.495 0.237 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418877875 489770863 /nfs/dbraw/zinc/77/08/63/489770863.db2.gz PTXVXOQFKHLOGJ-ZWKOTPCHSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@H]1C[NH3+] ZINC000418878115 489771184 /nfs/dbraw/zinc/77/11/84/489771184.db2.gz QFNTVLXQXBVVQJ-NXHRZFHOSA-N 2 0 360.502 0.861 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418876558 489771419 /nfs/dbraw/zinc/77/14/19/489771419.db2.gz GOYBJRSXJQDDHM-SMDDNHRTSA-N 2 0 356.829 0.663 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000418879166 489771865 /nfs/dbraw/zinc/77/18/65/489771865.db2.gz SGQGTSAZGSPAOB-WMZOPIPTSA-N 2 0 374.485 0.817 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418879090 489772549 /nfs/dbraw/zinc/77/25/49/489772549.db2.gz RYXBLMHZZLHEKH-RDJZCZTQSA-N 2 0 360.458 0.508 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418880704 489773648 /nfs/dbraw/zinc/77/36/48/489773648.db2.gz PWEQZPIJIITVEM-YHUYYLMFSA-N 2 0 350.507 0.951 20 0 FCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430948763 489780611 /nfs/dbraw/zinc/78/06/11/489780611.db2.gz LHEVZNKJSUOUIF-HNNXBMFYSA-N 2 0 362.474 0.884 20 0 FCADRP [NH3+]C[C@@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960934 489782131 /nfs/dbraw/zinc/78/21/31/489782131.db2.gz LWUOHOPLRFXPMP-HNNXBMFYSA-N 2 0 369.487 0.367 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000418900504 489782323 /nfs/dbraw/zinc/78/23/23/489782323.db2.gz DCIFSEBLBKCJDT-TVFCKZIOSA-N 2 0 374.485 0.513 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)CC1 ZINC000459902590 489785583 /nfs/dbraw/zinc/78/55/83/489785583.db2.gz VYLXEAKWEKJUKI-UHFFFAOYSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034614 489786967 /nfs/dbraw/zinc/78/69/67/489786967.db2.gz YLIHFFBIKATUFT-ZDUSSCGKSA-N 2 0 366.487 0.737 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)NCCN2CCSCC2)CC1 ZINC000490897041 489788470 /nfs/dbraw/zinc/78/84/70/489788470.db2.gz ARIUZWDBAXEVNO-UHFFFAOYSA-N 2 0 371.551 0.325 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000459915608 489791117 /nfs/dbraw/zinc/79/11/17/489791117.db2.gz HNFIGGSJMWEYCG-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000490995009 489792603 /nfs/dbraw/zinc/79/26/03/489792603.db2.gz MYBKZPGQBKHPJZ-MJGOQNOKSA-N 2 0 365.566 0.545 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418928697 489794022 /nfs/dbraw/zinc/79/40/22/489794022.db2.gz VHSUTQYEWNUWBT-GOSISDBHSA-N 2 0 374.485 0.379 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000418930481 489794609 /nfs/dbraw/zinc/79/46/09/489794609.db2.gz XXEZHWNSFGURBH-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431286819 489799029 /nfs/dbraw/zinc/79/90/29/489799029.db2.gz ZYIYFDSSPSTSCS-OAHLLOKOSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418945035 489799348 /nfs/dbraw/zinc/79/93/48/489799348.db2.gz KXELWVDBBPVJHW-DOTOQJQBSA-N 2 0 362.474 0.199 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1ccco1 ZINC000418947595 489800811 /nfs/dbraw/zinc/80/08/11/489800811.db2.gz SOBLCZPTJKOUGK-GJZGRUSLSA-N 2 0 350.463 0.847 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccco1 ZINC000418949060 489801769 /nfs/dbraw/zinc/80/17/69/489801769.db2.gz USASKNUSTSUFIP-HUUCEWRRSA-N 2 0 366.462 0.355 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000418956215 489803230 /nfs/dbraw/zinc/80/32/30/489803230.db2.gz RKISSVFUDVQLED-IKGGRYGDSA-N 2 0 366.506 0.081 20 0 FCADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000475041529 489803572 /nfs/dbraw/zinc/80/35/72/489803572.db2.gz ZVTKCFMJXJONCX-IBGZPJMESA-N 2 0 362.518 0.794 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000418969257 489807523 /nfs/dbraw/zinc/80/75/23/489807523.db2.gz VGTUUDNOPTXSTA-UHFFFAOYSA-N 2 0 360.458 0.209 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459997723 489812775 /nfs/dbraw/zinc/81/27/75/489812775.db2.gz TYBAVOJXWTXQLF-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418999999 489813458 /nfs/dbraw/zinc/81/34/58/489813458.db2.gz JURKXXVJIUAYRR-OALUTQOASA-N 2 0 370.497 0.967 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005021 489814980 /nfs/dbraw/zinc/81/49/80/489814980.db2.gz RKUHUFALVYBTFC-GJZGRUSLSA-N 2 0 354.495 0.454 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419013971 489818011 /nfs/dbraw/zinc/81/80/11/489818011.db2.gz HSACYFGHXMEIIW-AEFFLSMTSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(CNC(=O)NC1CC[NH+](C2CC2)CC1)NCC[NH+]1CCCCCC1 ZINC000431769773 489818378 /nfs/dbraw/zinc/81/83/78/489818378.db2.gz JGMBWAMZYCBJST-UHFFFAOYSA-N 2 0 365.522 0.905 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419017185 489819600 /nfs/dbraw/zinc/81/96/00/489819600.db2.gz NRXNQMNMOPRCSI-HDICACEKSA-N 2 0 358.486 0.822 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419017558 489819831 /nfs/dbraw/zinc/81/98/31/489819831.db2.gz BBMYDKFNDRZDGM-ZJIFWQFVSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022319 489821626 /nfs/dbraw/zinc/82/16/26/489821626.db2.gz IEOAJWLWHYWBBL-QLFBSQMISA-N 2 0 368.522 0.842 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419029142 489824569 /nfs/dbraw/zinc/82/45/69/489824569.db2.gz FPVDXEADVHLBET-CQSZACIVSA-N 2 0 354.520 0.414 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419034206 489827169 /nfs/dbraw/zinc/82/71/69/489827169.db2.gz DITGMQYADMTMGP-HRCADAONSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000419040086 489830508 /nfs/dbraw/zinc/83/05/08/489830508.db2.gz LUHFHKAAAMOBEZ-HZMVEIRTSA-N 2 0 366.506 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000419043155 489831080 /nfs/dbraw/zinc/83/10/80/489831080.db2.gz QHINBNCLWRPPHT-TWMKSMIVSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419045343 489833106 /nfs/dbraw/zinc/83/31/06/489833106.db2.gz NQIJAPDORXYMFU-NXHRZFHOSA-N 2 0 374.485 0.514 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419047958 489834303 /nfs/dbraw/zinc/83/43/03/489834303.db2.gz UTRJNKGHZAZSOE-OIISXLGYSA-N 2 0 360.458 0.124 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419047059 489834325 /nfs/dbraw/zinc/83/43/25/489834325.db2.gz RGJOVGBORCCDSX-OWCLPIDISA-N 2 0 368.522 0.578 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000460055259 489835899 /nfs/dbraw/zinc/83/58/99/489835899.db2.gz FXWYALPCZIOSNZ-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)CCO1 ZINC000460060196 489837619 /nfs/dbraw/zinc/83/76/19/489837619.db2.gz SUFYVZKIHSBNQV-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920177 491282894 /nfs/dbraw/zinc/28/28/94/491282894.db2.gz CIPGXKFQQMOQDV-DLBZAZTESA-N 2 0 369.554 0.221 20 0 FCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419097129 489854110 /nfs/dbraw/zinc/85/41/10/489854110.db2.gz DJFKQOYXEKKPTL-INIZCTEOSA-N 2 0 368.522 0.724 20 0 FCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419100005 489854790 /nfs/dbraw/zinc/85/47/90/489854790.db2.gz FJGBBASSWDCWSI-KRWDZBQOSA-N 2 0 374.485 0.298 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419100809 489854942 /nfs/dbraw/zinc/85/49/42/489854942.db2.gz CALOOFIPMXEXBK-LRDDRELGSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419103966 489855874 /nfs/dbraw/zinc/85/58/74/489855874.db2.gz GUTUOVXBWCFLNW-MLGOLLRUSA-N 2 0 350.438 0.618 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000419102919 489855960 /nfs/dbraw/zinc/85/59/60/489855960.db2.gz FQEVPSNAXNFIFM-UHFFFAOYSA-N 2 0 364.465 0.962 20 0 FCADRP COc1cccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[NH+](C)C)c1 ZINC000460237826 489857357 /nfs/dbraw/zinc/85/73/57/489857357.db2.gz BLDCOZCKOGZLDC-WMZOPIPTSA-N 2 0 350.463 0.664 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000433129676 489867316 /nfs/dbraw/zinc/86/73/16/489867316.db2.gz ONSBZYALWISZMO-UHFFFAOYSA-N 2 0 361.490 0.738 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000433122809 489868148 /nfs/dbraw/zinc/86/81/48/489868148.db2.gz WZXFNGILXFYFNP-UHFFFAOYSA-N 3 0 352.523 0.951 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000419125552 489868816 /nfs/dbraw/zinc/86/88/16/489868816.db2.gz KAUKLOLDEQWLLK-IKGGRYGDSA-N 2 0 367.538 0.103 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000433163244 489870074 /nfs/dbraw/zinc/87/00/74/489870074.db2.gz WWVOXBABLAGRFQ-UHFFFAOYSA-N 3 0 374.533 0.653 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419977726 489871634 /nfs/dbraw/zinc/87/16/34/489871634.db2.gz NBBFURJOSDDVFI-CABCVRRESA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419982268 489872387 /nfs/dbraw/zinc/87/23/87/489872387.db2.gz BCKZWMBXOVWDJJ-HRCADAONSA-N 2 0 368.522 0.578 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000494192838 489874360 /nfs/dbraw/zinc/87/43/60/489874360.db2.gz UJRPLHDLXXKAKY-HZPDHXFCSA-N 2 0 364.494 0.944 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CCCO1 ZINC000433339315 489877309 /nfs/dbraw/zinc/87/73/09/489877309.db2.gz ZPZBIIDAPVQQKG-MRXNPFEDSA-N 2 0 356.511 0.897 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C(C)C ZINC000420012524 489880532 /nfs/dbraw/zinc/88/05/32/489880532.db2.gz AYHKAXFODFJFMP-LSDHHAIUSA-N 2 0 356.511 0.793 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420015289 489881638 /nfs/dbraw/zinc/88/16/38/489881638.db2.gz LSFUUJTYVYHRPN-KRWDZBQOSA-N 2 0 361.490 0.856 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000420019469 489881915 /nfs/dbraw/zinc/88/19/15/489881915.db2.gz QZJDBMZJVSRVKR-LVQVYYBASA-N 2 0 354.495 0.236 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420020423 489883011 /nfs/dbraw/zinc/88/30/11/489883011.db2.gz SETDEQNIGSOVMX-ZACQAIPSSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000377313881 489883107 /nfs/dbraw/zinc/88/31/07/489883107.db2.gz AATXGABELNXJKD-WMZOPIPTSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420023539 489884310 /nfs/dbraw/zinc/88/43/10/489884310.db2.gz APYFMTBDZPXELU-ZNMIVQPWSA-N 2 0 354.495 0.310 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027119 489885359 /nfs/dbraw/zinc/88/53/59/489885359.db2.gz CUBBOWZXJRAFAF-GDBMZVCRSA-N 2 0 368.522 0.796 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433467056 489888105 /nfs/dbraw/zinc/88/81/05/489888105.db2.gz PHWPKZLTOREUFO-MSOLQXFVSA-N 2 0 370.538 0.879 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000564045414 491285796 /nfs/dbraw/zinc/28/57/96/491285796.db2.gz XFHIQTKMFONIGT-CVEARBPZSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420065368 489900044 /nfs/dbraw/zinc/90/00/44/489900044.db2.gz POPYOSSWBZJOOF-VBQJREDUSA-N 2 0 366.506 0.188 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)CC1 ZINC000420063844 489900072 /nfs/dbraw/zinc/90/00/72/489900072.db2.gz NXVCUPKOUHFZSV-NVXWUHKLSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000420064953 489900094 /nfs/dbraw/zinc/90/00/94/489900094.db2.gz PFOQPPDUQXILHB-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000420067375 489900986 /nfs/dbraw/zinc/90/09/86/489900986.db2.gz SKDUVTYDIYGNAN-QGZVFWFLSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070091 489901946 /nfs/dbraw/zinc/90/19/46/489901946.db2.gz JEQMWEDZHYVADI-RHSMWYFYSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420073065 489903277 /nfs/dbraw/zinc/90/32/77/489903277.db2.gz XYEMBVVXKDKGQE-VYDXJSESSA-N 2 0 366.506 0.332 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000420078172 489904320 /nfs/dbraw/zinc/90/43/20/489904320.db2.gz DUAJBJPSPSMEHV-UHFFFAOYSA-N 2 0 363.462 0.373 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420128860 489922586 /nfs/dbraw/zinc/92/25/86/489922586.db2.gz UHOOZGDJWDAJEV-HNNXBMFYSA-N 2 0 355.527 0.105 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)o1 ZINC000420141251 489928399 /nfs/dbraw/zinc/92/83/99/489928399.db2.gz ZBSPHNOFSFWSLL-UKRRQHHQSA-N 2 0 350.463 0.735 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143490 489928515 /nfs/dbraw/zinc/92/85/15/489928515.db2.gz XXXIOBYLUWFBMW-UHFFFAOYSA-N 2 0 350.488 0.674 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1cccc(Cn2ccnc2)c1)C1CC1 ZINC000556012197 491288994 /nfs/dbraw/zinc/28/89/94/491288994.db2.gz UXMIYAAULQPBIR-UHFFFAOYSA-N 2 0 355.442 0.758 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477031041 489933377 /nfs/dbraw/zinc/93/33/77/489933377.db2.gz XAVZKTXOHPRYGE-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477038176 489934620 /nfs/dbraw/zinc/93/46/20/489934620.db2.gz ZJDJXLLYPRKSMI-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC[C@H]21 ZINC000420157828 489934868 /nfs/dbraw/zinc/93/48/68/489934868.db2.gz GUWDRVJBZYMXTN-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000477038262 489935528 /nfs/dbraw/zinc/93/55/28/489935528.db2.gz ZXZVMJDRZMEOFR-HNNXBMFYSA-N 2 0 356.511 0.402 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000571157682 491289288 /nfs/dbraw/zinc/28/92/88/491289288.db2.gz YCMYERRFLSYHBD-YFHUEUNASA-N 2 0 360.502 0.530 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420164980 489936979 /nfs/dbraw/zinc/93/69/79/489936979.db2.gz MRHKFCJVSUPJJZ-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(NCC1CC[NH+](CCO)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477081174 489940083 /nfs/dbraw/zinc/94/00/83/489940083.db2.gz HBHFWOKDOPLAGG-UHFFFAOYSA-N 2 0 368.522 0.635 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000420178047 489942591 /nfs/dbraw/zinc/94/25/91/489942591.db2.gz SYNYXWNDYKIWQZ-OAGGEKHMSA-N 2 0 368.522 0.496 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000420184438 489944416 /nfs/dbraw/zinc/94/44/16/489944416.db2.gz NOSZVSNXZOUEAD-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000420188192 489946057 /nfs/dbraw/zinc/94/60/57/489946057.db2.gz CLANSDGSCFBPKV-IAGOWNOFSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420198452 489949685 /nfs/dbraw/zinc/94/96/85/489949685.db2.gz CKFBDMHFCWAOOE-UHDSXZAQSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000420201477 489950436 /nfs/dbraw/zinc/95/04/36/489950436.db2.gz FIDLIYWSKBXEGA-WRQOLXDDSA-N 2 0 366.506 0.106 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420203049 489950847 /nfs/dbraw/zinc/95/08/47/489950847.db2.gz GMRUPKFJLFQILR-NXOAAHMSSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420203051 489951099 /nfs/dbraw/zinc/95/10/99/489951099.db2.gz GMRUPKFJLFQILR-VQHPVUNQSA-N 2 0 350.507 0.824 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420203344 489951572 /nfs/dbraw/zinc/95/15/72/489951572.db2.gz ODZLMTSGSAQGAO-RDJZCZTQSA-N 2 0 374.485 0.583 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420207299 489953049 /nfs/dbraw/zinc/95/30/49/489953049.db2.gz UGADWZSMYUSETN-ZACQAIPSSA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000377802003 489959797 /nfs/dbraw/zinc/95/97/97/489959797.db2.gz DQRYYJFYSFOJKU-BRSBDYLESA-N 2 0 353.507 0.912 20 0 FCADRP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420297651 489960927 /nfs/dbraw/zinc/96/09/27/489960927.db2.gz RIZJEJKSBJNROO-CRAIPNDOSA-N 2 0 358.486 0.747 20 0 FCADRP CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420305065 489961270 /nfs/dbraw/zinc/96/12/70/489961270.db2.gz FVJISAVOPDWXMO-BETUJISGSA-N 2 0 350.850 0.888 20 0 FCADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000420305641 489961552 /nfs/dbraw/zinc/96/15/52/489961552.db2.gz ZBKQUGHIKYTMDQ-QZTJIDSGSA-N 3 0 360.502 0.881 20 0 FCADRP COc1ccc([C@@H](C[NH3+])CN2CCN(c3nccn(C)c3=O)CC2)cc1 ZINC000420306364 489961811 /nfs/dbraw/zinc/96/18/11/489961811.db2.gz ALQRQHWPXFNQAC-INIZCTEOSA-N 2 0 357.458 0.653 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2C[C@H](C[NH3+])C[C@H]2C)cc(C(=O)OC)c1 ZINC000420308139 489961908 /nfs/dbraw/zinc/96/19/08/489961908.db2.gz CMBYYCLNPLBXOA-NEPJUHHUSA-N 2 0 363.414 0.867 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2CC[C@@](C)(C[NH3+])C2)cc(C(=O)OC)c1 ZINC000420318117 489962915 /nfs/dbraw/zinc/96/29/15/489962915.db2.gz PKVJMQDENUTDKR-SFHVURJKSA-N 2 0 363.414 0.869 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329219 489963788 /nfs/dbraw/zinc/96/37/88/489963788.db2.gz OCANHMFSNHPMRG-UONOGXRCSA-N 2 0 363.462 0.857 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000420363129 489967578 /nfs/dbraw/zinc/96/75/78/489967578.db2.gz OZPLXVFESDOMKU-UHFFFAOYSA-N 3 0 354.539 0.879 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420407652 489972295 /nfs/dbraw/zinc/97/22/95/489972295.db2.gz UVVWYHSNHBQLMW-SWLSCSKDSA-N 2 0 357.524 0.952 20 0 FCADRP CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000420422569 489974073 /nfs/dbraw/zinc/97/40/73/489974073.db2.gz QBCKCUPPDCNOET-OAHLLOKOSA-N 2 0 357.524 0.824 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000477644980 489980745 /nfs/dbraw/zinc/98/07/45/489980745.db2.gz LXHKAISTCTXVBA-OAHLLOKOSA-N 2 0 355.479 0.346 20 0 FCADRP COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420464773 489981351 /nfs/dbraw/zinc/98/13/51/489981351.db2.gz YBICNYWGDGXVMG-UHFFFAOYSA-N 2 0 363.867 0.815 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000477653310 489982771 /nfs/dbraw/zinc/98/27/71/489982771.db2.gz PRQWNADQZWMKQE-OAHLLOKOSA-N 2 0 368.522 0.402 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000477968630 489998467 /nfs/dbraw/zinc/99/84/67/489998467.db2.gz VMALJDWHCYCTHK-GJYPPUQNSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000477968629 489998691 /nfs/dbraw/zinc/99/86/91/489998691.db2.gz VMALJDWHCYCTHK-BXWFABGCSA-N 2 0 368.522 0.450 20 0 FCADRP COc1nc(N(C)C[C@@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420630947 490002711 /nfs/dbraw/zinc/00/27/11/490002711.db2.gz FVXQEPZFEAABFE-GJZGRUSLSA-N 2 0 363.510 0.941 20 0 FCADRP CC(C)[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000436487941 490006550 /nfs/dbraw/zinc/00/65/50/490006550.db2.gz LWOXTCJCEAEHJQ-MRXNPFEDSA-N 2 0 365.526 0.838 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccnc(C[NH3+])c3)CC2)C1 ZINC000463494326 490020816 /nfs/dbraw/zinc/02/08/16/490020816.db2.gz NQWOHETVLBODDE-GOSISDBHSA-N 2 0 361.490 0.407 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000420802304 490023307 /nfs/dbraw/zinc/02/33/07/490023307.db2.gz RQJVMBOMJPEFKW-QQFBHYJXSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420906017 490030358 /nfs/dbraw/zinc/03/03/58/490030358.db2.gz RKVUYKVGUWISCY-HOTGVXAUSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044541 490050925 /nfs/dbraw/zinc/05/09/25/490050925.db2.gz XDNOGJCBYSBFOZ-UKRRQHHQSA-N 2 0 356.430 1.004 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061398 490066305 /nfs/dbraw/zinc/06/63/05/490066305.db2.gz ROELBQQQTDYZMM-OLZOCXBDSA-N 2 0 354.476 0.722 20 0 FCADRP COCC1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000479201457 490072553 /nfs/dbraw/zinc/07/25/53/490072553.db2.gz GMMLWYCORWZSIT-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3csc(CC[NH3+])n3)ccn2)CC1 ZINC000479201112 490072777 /nfs/dbraw/zinc/07/27/77/490072777.db2.gz ACYNNJHXHLXECF-UHFFFAOYSA-N 2 0 360.487 0.721 20 0 FCADRP COCC1(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC000479202503 490074099 /nfs/dbraw/zinc/07/40/99/490074099.db2.gz QVMZEGKYSBZZIR-UHFFFAOYSA-N 2 0 361.490 0.466 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000479206668 490074307 /nfs/dbraw/zinc/07/43/07/490074307.db2.gz PUUVGQQVIRMRJC-KRWDZBQOSA-N 2 0 362.449 0.635 20 0 FCADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000519764908 490079631 /nfs/dbraw/zinc/07/96/31/490079631.db2.gz CUCHGPTYKNVTTC-ZWKOTPCHSA-N 2 0 370.501 0.786 20 0 FCADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000519764860 490079880 /nfs/dbraw/zinc/07/98/80/490079880.db2.gz CUCHGPTYKNVTTC-QZTJIDSGSA-N 2 0 370.501 0.786 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815863 490089105 /nfs/dbraw/zinc/08/91/05/490089105.db2.gz YMWMXRBUPFWSED-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@@H+]1C ZINC000506433780 490091649 /nfs/dbraw/zinc/09/16/49/490091649.db2.gz ZPGXMQSCEHOQFL-YJBOKZPZSA-N 2 0 372.513 0.801 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496333074 490114387 /nfs/dbraw/zinc/11/43/87/490114387.db2.gz RQLOUTWNEFNVJR-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000520214063 490116809 /nfs/dbraw/zinc/11/68/09/490116809.db2.gz DQODKFDAUVXMMZ-UHFFFAOYSA-N 2 0 351.447 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000465869988 490150070 /nfs/dbraw/zinc/15/00/70/490150070.db2.gz HVEXOOUSWKEKKH-MSOLQXFVSA-N 3 0 368.570 0.290 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000465919293 490153140 /nfs/dbraw/zinc/15/31/40/490153140.db2.gz AJAJVUUSTRKCDJ-GOSISDBHSA-N 2 0 369.554 0.502 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556206797 491303137 /nfs/dbraw/zinc/30/31/37/491303137.db2.gz NXILGLPPOASTRR-CRAIPNDOSA-N 2 0 370.563 0.634 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000465948203 490156542 /nfs/dbraw/zinc/15/65/42/490156542.db2.gz AWVGXMHFRRMICF-JKSUJKDBSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012274 490166389 /nfs/dbraw/zinc/16/63/89/490166389.db2.gz UDVWRPDELLQQBF-WMZOPIPTSA-N 2 0 358.486 0.835 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000497509692 490170515 /nfs/dbraw/zinc/17/05/15/490170515.db2.gz XIRSZFVANHTIMR-KRWDZBQOSA-N 2 0 357.568 0.703 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000497919597 490232417 /nfs/dbraw/zinc/23/24/17/490232417.db2.gz OZOSQJNSOHCIOT-HOTGVXAUSA-N 2 0 359.536 0.863 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000497931151 490234188 /nfs/dbraw/zinc/23/41/88/490234188.db2.gz YLGGPRMPQIMXOA-INIZCTEOSA-N 2 0 355.504 0.859 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000498040137 490249439 /nfs/dbraw/zinc/24/94/39/490249439.db2.gz UZXLNBFCLOIMIJ-HNNXBMFYSA-N 2 0 353.417 0.707 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@@H]1C ZINC000571501247 491311761 /nfs/dbraw/zinc/31/17/61/491311761.db2.gz BOXKZURXUOTKQF-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCCC1 ZINC000556372806 491312909 /nfs/dbraw/zinc/31/29/09/491312909.db2.gz YRIAYAQYLNYOEC-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C[C@H]1CCCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526680 491313387 /nfs/dbraw/zinc/31/33/87/491313387.db2.gz KOMJFIYNZVKSSN-GOSISDBHSA-N 2 0 372.513 0.936 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC(F)F)c2)C1 ZINC000498209462 490273233 /nfs/dbraw/zinc/27/32/33/490273233.db2.gz YQKBMYMEWUMGCU-HUUCEWRRSA-N 2 0 368.428 0.983 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422374199 490285269 /nfs/dbraw/zinc/28/52/69/490285269.db2.gz CEEMCSMASCWNIE-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000422379268 490287823 /nfs/dbraw/zinc/28/78/23/490287823.db2.gz NUCMJYAYDSDULH-DLBZAZTESA-N 2 0 368.522 0.545 20 0 FCADRP C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447919334 490294009 /nfs/dbraw/zinc/29/40/09/490294009.db2.gz DSZMEIXXGSXEAR-AITUJVMLSA-N 2 0 361.486 0.895 20 0 FCADRP COc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000564587566 491315135 /nfs/dbraw/zinc/31/51/35/491315135.db2.gz ALPBXCDHONLNMR-GASCZTMLSA-N 2 0 363.510 0.656 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483331376 490308569 /nfs/dbraw/zinc/30/85/69/490308569.db2.gz FUHZCZNQQCOMNA-BBWFWOEESA-N 2 0 368.522 0.545 20 0 FCADRP C[C@H]1C[NH+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467707319 490333630 /nfs/dbraw/zinc/33/36/30/490333630.db2.gz XLLUDJAISJLAGQ-ZSNVMCELSA-N 2 0 351.491 0.807 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000448325507 490334317 /nfs/dbraw/zinc/33/43/17/490334317.db2.gz PVUQWQHLYLFDDP-OAHLLOKOSA-N 2 0 370.457 1.442 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000448322350 490334430 /nfs/dbraw/zinc/33/44/30/490334430.db2.gz QWLCTJJNQCZHMK-AWEZNQCLSA-N 2 0 364.494 0.620 20 0 FCADRP O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534268566 490338542 /nfs/dbraw/zinc/33/85/42/490338542.db2.gz BWDLIBYBGMWAOO-IBGZPJMESA-N 2 0 357.502 0.315 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000534266574 490338635 /nfs/dbraw/zinc/33/86/35/490338635.db2.gz NEOYOJCKYXBMAY-IBGZPJMESA-N 2 0 357.502 0.762 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927746 490357342 /nfs/dbraw/zinc/35/73/42/490357342.db2.gz OMMZCKOAQLUKCD-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000422493618 490358994 /nfs/dbraw/zinc/35/89/94/490358994.db2.gz YRMXDGZULPSIBW-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953831 490371349 /nfs/dbraw/zinc/37/13/49/490371349.db2.gz DSRJYBNVGUKPLR-IRXDYDNUSA-N 2 0 350.507 0.943 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000522443409 490378913 /nfs/dbraw/zinc/37/89/13/490378913.db2.gz DUGOFBKWCHSLCS-BBWFWOEESA-N 2 0 365.522 0.855 20 0 FCADRP Cc1cc(CNC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc(C)n1 ZINC000422587469 490417680 /nfs/dbraw/zinc/41/76/80/490417680.db2.gz HZXFERQVEMTOLA-HNNXBMFYSA-N 2 0 362.474 0.618 20 0 FCADRP CC1[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449820095 490429644 /nfs/dbraw/zinc/42/96/44/490429644.db2.gz UAZDKINKLGCIFI-LBTBCDHLSA-N 2 0 360.502 0.574 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534963089 490430038 /nfs/dbraw/zinc/43/00/38/490430038.db2.gz SMBJPFYFQZXDCA-MRXNPFEDSA-N 2 0 365.478 0.542 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625231 490431836 /nfs/dbraw/zinc/43/18/36/490431836.db2.gz BACIIFFJFSLBDJ-IHRRRGAJSA-N 2 0 368.503 0.886 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000571747445 491326529 /nfs/dbraw/zinc/32/65/29/491326529.db2.gz AHQUAMZYAFCPIF-ZACQAIPSSA-N 2 0 374.551 0.348 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000556676592 491327226 /nfs/dbraw/zinc/32/72/26/491327226.db2.gz DJLTWPWRICFYKF-OAHLLOKOSA-N 2 0 366.481 0.997 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)C1(C)C ZINC000564795612 491327305 /nfs/dbraw/zinc/32/73/05/491327305.db2.gz GSAKEXLQSJBVEH-KXBFYZLASA-N 2 0 369.506 0.910 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000509727066 490458068 /nfs/dbraw/zinc/45/80/68/490458068.db2.gz GYDKLSCTWDZWMX-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccc(F)cc1 ZINC000571778347 491328711 /nfs/dbraw/zinc/32/87/11/491328711.db2.gz JVFGESOPPMWSKQ-HOTGVXAUSA-N 2 0 363.437 0.211 20 0 FCADRP C[NH+]1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693094 490486361 /nfs/dbraw/zinc/48/63/61/490486361.db2.gz VDDVHAMBFNXAJB-NEPJUHHUSA-N 2 0 351.476 0.601 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000523915385 490503836 /nfs/dbraw/zinc/50/38/36/490503836.db2.gz BLEYWHKRGNIVCE-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394137 490510393 /nfs/dbraw/zinc/51/03/93/490510393.db2.gz OOLDISZJUHCXSH-CVEARBPZSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394145 490510610 /nfs/dbraw/zinc/51/06/10/490510610.db2.gz OOLDISZJUHCXSH-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025389 490522917 /nfs/dbraw/zinc/52/29/17/490522917.db2.gz LRBADIKGYDSGRS-QRQLOZEOSA-N 2 0 362.518 0.632 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCC[NH2+]CC3)c2)C1 ZINC000571864684 491333481 /nfs/dbraw/zinc/33/34/81/491333481.db2.gz GTKPFCAPIVXPNS-SFHVURJKSA-N 2 0 373.501 0.889 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000510800023 490540996 /nfs/dbraw/zinc/54/09/96/490540996.db2.gz VCDGLVYLGAALCV-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069181 490550189 /nfs/dbraw/zinc/55/01/89/490550189.db2.gz XHTCUQXZZUPIEY-HNNXBMFYSA-N 2 0 371.441 0.390 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000556794334 491336788 /nfs/dbraw/zinc/33/67/88/491336788.db2.gz AAAUZIWGUZFNHR-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000486041066 490586459 /nfs/dbraw/zinc/58/64/59/490586459.db2.gz LXZNOQNRGZCEDT-JHNDHUHGSA-N 2 0 350.507 0.489 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000525297484 490593490 /nfs/dbraw/zinc/59/34/90/490593490.db2.gz GRHFYYYBLWPSML-SJORKVTESA-N 2 0 365.522 0.807 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374324 490600608 /nfs/dbraw/zinc/60/06/08/490600608.db2.gz BIKWYPDUUMNKNK-JKSUJKDBSA-N 2 0 353.511 0.605 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1nncn1C ZINC000550008540 490619134 /nfs/dbraw/zinc/61/91/34/490619134.db2.gz BYITYVNULSVBHW-HNNXBMFYSA-N 2 0 352.483 0.206 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501610650 490623047 /nfs/dbraw/zinc/62/30/47/490623047.db2.gz FFOHCDOPIAMFLF-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638725 490629581 /nfs/dbraw/zinc/62/95/81/490629581.db2.gz LGPKHBQMGHGKBE-SQNIBIBYSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638722 490629742 /nfs/dbraw/zinc/62/97/42/490629742.db2.gz LGPKHBQMGHGKBE-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000486461227 490632227 /nfs/dbraw/zinc/63/22/27/490632227.db2.gz ANQVBKUVWVYTKW-IRXDYDNUSA-N 2 0 367.538 0.911 20 0 FCADRP CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000571994780 491341647 /nfs/dbraw/zinc/34/16/47/491341647.db2.gz YIUHMWLBAIGLHS-INIZCTEOSA-N 2 0 350.463 0.627 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000486507418 490641478 /nfs/dbraw/zinc/64/14/78/490641478.db2.gz KCHXJFSKXGLRKP-KRWDZBQOSA-N 2 0 367.538 0.911 20 0 FCADRP NC(=O)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000512240448 490667153 /nfs/dbraw/zinc/66/71/53/490667153.db2.gz AUPBREVYUZTRTI-KRWDZBQOSA-N 2 0 352.454 0.332 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000502019825 490667967 /nfs/dbraw/zinc/66/79/67/490667967.db2.gz SULGSCFRAHIEBR-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H]1C[NH+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000565032786 491347129 /nfs/dbraw/zinc/34/71/29/491347129.db2.gz QIXLDNVOOUTCLP-GJZGRUSLSA-N 2 0 352.483 0.636 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)Cc2ccccc2C1 ZINC000556996451 491347409 /nfs/dbraw/zinc/34/74/09/491347409.db2.gz MHZZXVLZPUFMFT-KRWDZBQOSA-N 2 0 370.497 0.555 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000512813256 490699833 /nfs/dbraw/zinc/69/98/33/490699833.db2.gz DVGHYBYFGYTVAX-UHFFFAOYSA-N 2 0 367.538 0.256 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000512819732 490701171 /nfs/dbraw/zinc/70/11/71/490701171.db2.gz GXVORJYVHQETCO-QGZVFWFLSA-N 2 0 355.527 0.112 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000527230370 490710253 /nfs/dbraw/zinc/71/02/53/490710253.db2.gz XSZYERDFIQAHOI-SFHVURJKSA-N 2 0 352.523 0.774 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502750545 490719661 /nfs/dbraw/zinc/71/96/61/490719661.db2.gz SKKHGPIJCDONQC-QGZVFWFLSA-N 2 0 365.522 0.809 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000565098021 491353617 /nfs/dbraw/zinc/35/36/17/491353617.db2.gz IUWUVXXSRYESEV-UHFFFAOYSA-N 2 0 353.511 0.700 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000488676068 490771420 /nfs/dbraw/zinc/77/14/20/490771420.db2.gz POOQQPFEGIXBLM-MRXNPFEDSA-N 2 0 352.523 0.772 20 0 FCADRP O=C(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000572263065 491358918 /nfs/dbraw/zinc/35/89/18/491358918.db2.gz BHDNKHWXQRZXKR-UHFFFAOYSA-N 2 0 351.495 0.326 20 0 FCADRP O=C(CC(O)CC(=O)NCC[NH+]1CCCCC1)NCC[NH+]1CCCCC1 ZINC000539415346 490782612 /nfs/dbraw/zinc/78/26/12/490782612.db2.gz ZQDBIHQFBGBITQ-UHFFFAOYSA-N 2 0 368.522 0.332 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000514726061 490784496 /nfs/dbraw/zinc/78/44/96/490784496.db2.gz UNKGYBKTWSAOQN-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H]1c1ccccc1F ZINC000514725565 490784821 /nfs/dbraw/zinc/78/48/21/490784821.db2.gz MZKVDFNQJYJHBX-IVMMDQJWSA-N 2 0 358.421 0.736 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514737540 490785738 /nfs/dbraw/zinc/78/57/38/490785738.db2.gz XMTOXVMIHLYSOR-ULQDDVLXSA-N 2 0 359.474 0.113 20 0 FCADRP O=C(CNC(=O)C1CC[NH+](C2CC2)CC1)NCC[NH+]1CCCCCC1 ZINC000557129132 491355561 /nfs/dbraw/zinc/35/55/61/491355561.db2.gz QUTIVSAYPNBMKE-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000514856302 490793709 /nfs/dbraw/zinc/79/37/09/490793709.db2.gz CKCRMZFSIXOHOR-SJLPKXTDSA-N 2 0 351.491 0.798 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156127 491356558 /nfs/dbraw/zinc/35/65/58/491356558.db2.gz IEELOITYNQCWHS-DZGCQCFKSA-N 2 0 368.503 0.194 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000515220037 490813974 /nfs/dbraw/zinc/81/39/74/490813974.db2.gz NQMNUQYIGPMKNE-KRWDZBQOSA-N 2 0 368.522 0.596 20 0 FCADRP CCOc1ccccc1CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H](C)C1 ZINC000515525630 490830475 /nfs/dbraw/zinc/83/04/75/490830475.db2.gz VIRIOZOCCJJBEX-AWEZNQCLSA-N 2 0 360.458 0.206 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000557190389 491358747 /nfs/dbraw/zinc/35/87/47/491358747.db2.gz MQNKAQZRLFAJRN-RDJZCZTQSA-N 2 0 370.419 0.870 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515673285 490835956 /nfs/dbraw/zinc/83/59/56/490835956.db2.gz SWRNKXRCKRQUGH-OWCLPIDISA-N 2 0 351.495 0.450 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529305069 490848635 /nfs/dbraw/zinc/84/86/35/490848635.db2.gz HMOSJXKEGLNLQM-FUHWJXTLSA-N 2 0 367.538 0.422 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529323764 490851915 /nfs/dbraw/zinc/85/19/15/490851915.db2.gz FBPGCLUDAKLFIJ-KRWDZBQOSA-N 2 0 354.495 0.509 20 0 FCADRP CCNc1nc(NC[C@@H](C)N2CC[NH+](CC)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000516170127 490854138 /nfs/dbraw/zinc/85/41/38/490854138.db2.gz BWJHUTDNPNVKMA-CQSZACIVSA-N 2 0 364.542 0.796 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215659 490857343 /nfs/dbraw/zinc/85/73/43/490857343.db2.gz AYSUDEZZVXIKTE-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000516508674 490866216 /nfs/dbraw/zinc/86/62/16/490866216.db2.gz MSUBAAWLOMEUQY-UHFFFAOYSA-N 2 0 356.511 0.402 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000541829395 490873909 /nfs/dbraw/zinc/87/39/09/490873909.db2.gz GCCKEEFDNVLNRM-OAHLLOKOSA-N 2 0 362.540 0.479 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000516865148 490881699 /nfs/dbraw/zinc/88/16/99/490881699.db2.gz QQVXULMZBKGVKY-KRWDZBQOSA-N 2 0 374.489 0.188 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516869107 490881995 /nfs/dbraw/zinc/88/19/95/490881995.db2.gz ACNAKJANKZPXFL-AWEZNQCLSA-N 2 0 360.462 0.030 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000516925152 490885277 /nfs/dbraw/zinc/88/52/77/490885277.db2.gz JRCDOSPDJUPXEC-UHFFFAOYSA-N 2 0 352.483 0.636 20 0 FCADRP CC1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000517024574 490891439 /nfs/dbraw/zinc/89/14/39/490891439.db2.gz QSZQZBAGJFVFBX-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542675197 490903999 /nfs/dbraw/zinc/90/39/99/490903999.db2.gz OURKKSCYMUTJQB-SFHVURJKSA-N 2 0 366.550 0.831 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000517703899 490917405 /nfs/dbraw/zinc/91/74/05/490917405.db2.gz VLIRTWVLKUAKMK-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966316 490926836 /nfs/dbraw/zinc/92/68/36/490926836.db2.gz VXZGMGHKEJAHLC-QZTJIDSGSA-N 2 0 371.485 0.388 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000517998526 490927473 /nfs/dbraw/zinc/92/74/73/490927473.db2.gz YGNHREFEOARGIE-BRWVUGGUSA-N 2 0 366.506 0.081 20 0 FCADRP CC(C)CN1C[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374180 491365738 /nfs/dbraw/zinc/36/57/38/491365738.db2.gz IJUYXVXMWVMMJZ-CVEARBPZSA-N 2 0 351.495 0.262 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC2)c1 ZINC000557297300 491365982 /nfs/dbraw/zinc/36/59/82/491365982.db2.gz ILZYSDHIHPLFMM-UHFFFAOYSA-N 2 0 363.462 0.243 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000531340608 490952971 /nfs/dbraw/zinc/95/29/71/490952971.db2.gz VEOIYVQJZYGQII-UHFFFAOYSA-N 2 0 367.538 0.520 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000543991939 490954742 /nfs/dbraw/zinc/95/47/42/490954742.db2.gz GWWJDQVNSKHWIQ-OAHLLOKOSA-N 2 0 369.506 0.613 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000531394177 490955884 /nfs/dbraw/zinc/95/58/84/490955884.db2.gz DBHISMYAAIOWLE-SFHVURJKSA-N 2 0 367.538 0.378 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(OC[C@H]3CCOC3)CC2)C1=O ZINC000544055509 490956402 /nfs/dbraw/zinc/95/64/02/490956402.db2.gz UEBAKPCKHBLAIV-RDJZCZTQSA-N 2 0 367.490 0.583 20 0 FCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000519531485 490974198 /nfs/dbraw/zinc/97/41/98/490974198.db2.gz HWKISODSXVQWNK-SFHVURJKSA-N 2 0 362.474 0.947 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018335 491956921 /nfs/dbraw/zinc/95/69/21/491956921.db2.gz ACKBACGUQXLNOM-ZBFHGGJFSA-N 2 0 367.490 0.677 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018332 491956988 /nfs/dbraw/zinc/95/69/88/491956988.db2.gz ACKBACGUQXLNOM-HOCLYGCPSA-N 2 0 367.490 0.677 20 0 FCADRP CC(C)[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000569518697 491165861 /nfs/dbraw/zinc/16/58/61/491165861.db2.gz JEORWXUXUSMFSQ-MQVJKMGUSA-N 2 0 353.511 0.709 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000569695185 491182463 /nfs/dbraw/zinc/18/24/63/491182463.db2.gz JWTDGTHROVHMQM-LJQANCHMSA-N 2 0 371.529 0.775 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372204 491372736 /nfs/dbraw/zinc/37/27/36/491372736.db2.gz JADKKFSOYBGPCR-HOTGVXAUSA-N 2 0 351.495 0.596 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccc(F)cc1 ZINC000565411631 491374879 /nfs/dbraw/zinc/37/48/79/491374879.db2.gz YMQFZNHNZMTDIV-GOSISDBHSA-N 2 0 363.481 0.947 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@@H]2C)CC1=O ZINC000565439905 491377072 /nfs/dbraw/zinc/37/70/72/491377072.db2.gz XIJTVIAXRIIDFI-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000572554969 491378275 /nfs/dbraw/zinc/37/82/75/491378275.db2.gz LTAYSQACVMFXKQ-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000572612814 491381272 /nfs/dbraw/zinc/38/12/72/491381272.db2.gz HPFMDSAMGSGSFN-GFCCVEGCSA-N 2 0 364.402 0.366 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619455 491381934 /nfs/dbraw/zinc/38/19/34/491381934.db2.gz PSCHLZLJNBNGLB-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP CC[C@H]1C[NH+](C)CCN1C(=O)CC(O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000572634520 491382961 /nfs/dbraw/zinc/38/29/61/491382961.db2.gz VMDAMNUECBXNQP-HOTGVXAUSA-N 2 0 368.522 0.233 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540228 491383518 /nfs/dbraw/zinc/38/35/18/491383518.db2.gz MTCRJODAVWWSGM-RDJZCZTQSA-N 2 0 374.485 0.390 20 0 FCADRP COc1cnc(NC[C@@H]2CCC[N@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573478 491384275 /nfs/dbraw/zinc/38/42/75/491384275.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 2 0 362.522 0.836 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000565668537 491392519 /nfs/dbraw/zinc/39/25/19/491392519.db2.gz BPBCXQKIKSZAOI-OWCLPIDISA-N 2 0 351.495 0.308 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CCCC2)CCCO1 ZINC000557744011 491395848 /nfs/dbraw/zinc/39/58/48/491395848.db2.gz YCUGSWGQFITSOK-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000558007566 491408339 /nfs/dbraw/zinc/40/83/39/491408339.db2.gz VMNSCNPNWMLDAA-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)[C@H]1C ZINC000573075272 491410840 /nfs/dbraw/zinc/41/08/40/491410840.db2.gz UIONKRGDZUIQCU-ILXRZTDVSA-N 2 0 371.489 0.988 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000566146793 491420290 /nfs/dbraw/zinc/42/02/90/491420290.db2.gz KJJBTNYOVUGTQP-MRXNPFEDSA-N 2 0 366.506 0.396 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566199448 491424937 /nfs/dbraw/zinc/42/49/37/491424937.db2.gz WYRPVFZFJUZIGB-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3C[NH2+]CCO3)CCCC2)CC1 ZINC000573308093 491425200 /nfs/dbraw/zinc/42/52/00/491425200.db2.gz HBZBQGOJVZLARI-INIZCTEOSA-N 2 0 354.495 0.698 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566223851 491427248 /nfs/dbraw/zinc/42/72/48/491427248.db2.gz MMVCPNAOSOMQLX-JYJNAYRXSA-N 2 0 369.535 0.809 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000566236639 491428822 /nfs/dbraw/zinc/42/88/22/491428822.db2.gz HUWJZIQRXOQYDD-UGQVUOCMSA-N 2 0 354.495 0.113 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000566236637 491428905 /nfs/dbraw/zinc/42/89/05/491428905.db2.gz HUWJZIQRXOQYDD-DARAHFNDSA-N 2 0 354.495 0.113 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000566236640 491428916 /nfs/dbraw/zinc/42/89/16/491428916.db2.gz HUWJZIQRXOQYDD-WMHQRMGPSA-N 2 0 354.495 0.113 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000566244928 491430197 /nfs/dbraw/zinc/43/01/97/491430197.db2.gz COLXYVPXLUZJJY-KBPBESRZSA-N 2 0 366.487 0.594 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000566297932 491433584 /nfs/dbraw/zinc/43/35/84/491433584.db2.gz KEDXCULFRDFGCL-IBGZPJMESA-N 2 0 358.486 0.932 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000566396679 491440953 /nfs/dbraw/zinc/44/09/53/491440953.db2.gz FDYSPMWLZIVLNH-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000660331246 493343562 /nfs/dbraw/zinc/34/35/62/493343562.db2.gz ZHTBSYQZHBOEHD-GOSISDBHSA-N 2 0 373.501 0.771 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496681 491448973 /nfs/dbraw/zinc/44/89/73/491448973.db2.gz SZUAQUZXLWUVCI-ROUUACIJSA-N 2 0 356.470 0.669 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512657 491450352 /nfs/dbraw/zinc/45/03/52/491450352.db2.gz NHIUZAAZISOZLG-MSOLQXFVSA-N 2 0 371.485 0.736 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520097 491451464 /nfs/dbraw/zinc/45/14/64/491451464.db2.gz VJUUJANIIISRIL-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000660338989 493344130 /nfs/dbraw/zinc/34/41/30/493344130.db2.gz KLEUQJZAZGEEDS-UHFFFAOYSA-N 2 0 371.485 0.817 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000566739715 491464159 /nfs/dbraw/zinc/46/41/59/491464159.db2.gz IJSZTSWTFIAVRI-BZUAXINKSA-N 2 0 351.495 0.319 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000566752080 491464956 /nfs/dbraw/zinc/46/49/56/491464956.db2.gz ADCOYRQBDKHHDI-ULQDDVLXSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000573951672 491465108 /nfs/dbraw/zinc/46/51/08/491465108.db2.gz WNNVTBWCPKDZIO-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCO1 ZINC000573994735 491467945 /nfs/dbraw/zinc/46/79/45/491467945.db2.gz YZTGSAFNPDRJLN-KRWDZBQOSA-N 3 0 357.543 0.622 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000559386377 491469250 /nfs/dbraw/zinc/46/92/50/491469250.db2.gz JLVHELAXTAMWOY-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000559415458 491471115 /nfs/dbraw/zinc/47/11/15/491471115.db2.gz VXKRNHVSCSCWFH-QYZOEREBSA-N 2 0 372.513 0.828 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000559442293 491473586 /nfs/dbraw/zinc/47/35/86/491473586.db2.gz SBPGIWCGVRFZLC-HZPDHXFCSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574179960 491479518 /nfs/dbraw/zinc/47/95/18/491479518.db2.gz AIDAUNHAHAPEOM-OLMMMNRUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000574191065 491480088 /nfs/dbraw/zinc/48/00/88/491480088.db2.gz ATFRELAOSCCBHX-PBWTXFEYSA-N 2 0 370.497 0.786 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2ncccc2c1 ZINC000574302630 491488009 /nfs/dbraw/zinc/48/80/09/491488009.db2.gz KMQYTUNENREYHC-UHFFFAOYSA-N 2 0 371.485 0.803 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000574326492 491489356 /nfs/dbraw/zinc/48/93/56/491489356.db2.gz CCPVVNVCZBBZES-SFHVURJKSA-N 2 0 374.533 0.589 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567163901 491489588 /nfs/dbraw/zinc/48/95/88/491489588.db2.gz GOHASUCKTAXXHU-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339807 491490394 /nfs/dbraw/zinc/49/03/94/491490394.db2.gz VYKHAWDRZRPJGL-PXNSSMCTSA-N 2 0 374.485 0.886 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339809 491490463 /nfs/dbraw/zinc/49/04/63/491490463.db2.gz VYKHAWDRZRPJGL-XLIONFOSSA-N 2 0 374.485 0.886 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574515796 491502202 /nfs/dbraw/zinc/50/22/02/491502202.db2.gz UYWSOYYQBQBCKT-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2ccccc2)CC1 ZINC000567372376 491502539 /nfs/dbraw/zinc/50/25/39/491502539.db2.gz BXGDFRSHYKWHOH-UHFFFAOYSA-N 2 0 360.502 0.786 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000559866873 491506226 /nfs/dbraw/zinc/50/62/26/491506226.db2.gz GDSVPDMMPKYRNT-KDOFPFPSSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C1 ZINC000567480136 491508394 /nfs/dbraw/zinc/50/83/94/491508394.db2.gz BUXVTPGKJWOVQD-GJZGRUSLSA-N 2 0 358.486 0.869 20 0 FCADRP C[C@H](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488051 491509465 /nfs/dbraw/zinc/50/94/65/491509465.db2.gz DNCJJRASMHPVFF-KBAYOESNSA-N 2 0 373.501 0.850 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000574635463 491509967 /nfs/dbraw/zinc/50/99/67/491509967.db2.gz NJAOIOOADCCQEO-CABCVRRESA-N 2 0 352.866 0.927 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567522076 491511748 /nfs/dbraw/zinc/51/17/48/491511748.db2.gz FGOKQZCLOUVZKS-JKSUJKDBSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013079 491514463 /nfs/dbraw/zinc/51/44/63/491514463.db2.gz HXDOEQBEKARVHG-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000560015407 491515013 /nfs/dbraw/zinc/51/50/13/491515013.db2.gz GQEBOOZAIDRSDR-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741437 491516946 /nfs/dbraw/zinc/51/69/46/491516946.db2.gz HBWJVTXNALWGAI-DLBZAZTESA-N 2 0 353.511 0.032 20 0 FCADRP Cc1cccn2cc(CC(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)nc12 ZINC000574751573 491517589 /nfs/dbraw/zinc/51/75/89/491517589.db2.gz ZXHGREKKTKXZBR-QGZVFWFLSA-N 2 0 369.469 0.997 20 0 FCADRP CO[C@@]1(C)C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000574792635 491520596 /nfs/dbraw/zinc/52/05/96/491520596.db2.gz BNJYEMSRZSUCLO-KSSFIOAISA-N 2 0 356.511 0.258 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000574907353 491527192 /nfs/dbraw/zinc/52/71/92/491527192.db2.gz ZDZVHOXWHNJZGX-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038292 491535384 /nfs/dbraw/zinc/53/53/84/491535384.db2.gz LTEHPTVZIYHRGJ-STQMWFEESA-N 2 0 351.417 0.558 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000575202758 491545327 /nfs/dbraw/zinc/54/53/27/491545327.db2.gz FWRKNILXIXGNLE-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCCO1 ZINC000575198093 491545544 /nfs/dbraw/zinc/54/55/44/491545544.db2.gz LZKMGPVWNFGSIG-GOSISDBHSA-N 2 0 369.554 0.814 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000568057260 491550649 /nfs/dbraw/zinc/55/06/49/491550649.db2.gz YSAKHADJRLCGJR-UHFFFAOYSA-N 2 0 357.524 0.811 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]4OCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000568094300 491552770 /nfs/dbraw/zinc/55/27/70/491552770.db2.gz BRPVWZXMCWMRJV-MOPGFXCFSA-N 2 0 358.486 0.637 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CCCO1 ZINC000575476917 491555237 /nfs/dbraw/zinc/55/52/37/491555237.db2.gz MJLUMXHSYBDLLK-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748703 491558233 /nfs/dbraw/zinc/55/82/33/491558233.db2.gz UADBVRCQBFJIBP-OLZOCXBDSA-N 2 0 354.476 0.640 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCSC1 ZINC000561052896 491572552 /nfs/dbraw/zinc/57/25/52/491572552.db2.gz XSBBFWXQFZMZLK-MRXNPFEDSA-N 2 0 365.507 0.445 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000561056680 491572728 /nfs/dbraw/zinc/57/27/28/491572728.db2.gz CDEHHMRVCOHOQM-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000568420334 491576209 /nfs/dbraw/zinc/57/62/09/491576209.db2.gz FSRIZJSRCLCAIG-KRWDZBQOSA-N 2 0 368.522 0.308 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCO1 ZINC000576027012 491576933 /nfs/dbraw/zinc/57/69/33/491576933.db2.gz IJTPNSXZNVZNRD-CVEARBPZSA-N 2 0 352.479 0.040 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000668420882 493351573 /nfs/dbraw/zinc/35/15/73/493351573.db2.gz NMELHVWMHKHFDB-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136140 491577934 /nfs/dbraw/zinc/57/79/34/491577934.db2.gz AUKQWAQOOXONED-BBWFWOEESA-N 2 0 363.506 0.467 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000561147415 491578533 /nfs/dbraw/zinc/57/85/33/491578533.db2.gz CXQBMTSEHMXOTP-SFHVURJKSA-N 2 0 361.490 0.173 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561188101 491581313 /nfs/dbraw/zinc/58/13/13/491581313.db2.gz ZKANEOKPGGEVPW-AEFFLSMTSA-N 2 0 373.501 0.628 20 0 FCADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000576106834 491581893 /nfs/dbraw/zinc/58/18/93/491581893.db2.gz PRMMOTHJVLJJGA-BBWFWOEESA-N 2 0 359.474 0.648 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203901 491582439 /nfs/dbraw/zinc/58/24/39/491582439.db2.gz UQYUGBHSGOXGTC-QGZVFWFLSA-N 2 0 373.501 0.724 20 0 FCADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000577047990 491583826 /nfs/dbraw/zinc/58/38/26/491583826.db2.gz JDQSHIXISFDXKQ-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1nc(C)c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000577090595 491588818 /nfs/dbraw/zinc/58/88/18/491588818.db2.gz AUIJQLFUFGMYAG-UHFFFAOYSA-N 2 0 355.508 0.328 20 0 FCADRP CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000584495347 491597528 /nfs/dbraw/zinc/59/75/28/491597528.db2.gz COJOTSFWHJJWNB-JKSUJKDBSA-N 2 0 370.538 0.647 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000577171769 491597930 /nfs/dbraw/zinc/59/79/30/491597930.db2.gz GJRYXCHQNMXIDS-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCc1cnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000576256396 491597962 /nfs/dbraw/zinc/59/79/62/491597962.db2.gz UYWKSCPMMBYDPW-UHFFFAOYSA-N 2 0 355.508 0.274 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C[C@H]2[NH3+])cn1 ZINC000577182942 491599413 /nfs/dbraw/zinc/59/94/13/491599413.db2.gz SGUADCHFGHCJRJ-DLBZAZTESA-N 2 0 369.473 0.134 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000576293249 491602407 /nfs/dbraw/zinc/60/24/07/491602407.db2.gz NXJBPPATVIQWIU-QZTJIDSGSA-N 2 0 358.486 0.630 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000577218838 491604183 /nfs/dbraw/zinc/60/41/83/491604183.db2.gz LAIOKZGSKAJVJF-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238521 491605577 /nfs/dbraw/zinc/60/55/77/491605577.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 2 0 367.538 0.070 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000561439370 491608866 /nfs/dbraw/zinc/60/88/66/491608866.db2.gz QDXBARZXMADITA-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000576376722 491609849 /nfs/dbraw/zinc/60/98/49/491609849.db2.gz SPQBCKDREWJDEG-UHFFFAOYSA-N 2 0 374.894 0.913 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000577359772 491614421 /nfs/dbraw/zinc/61/44/21/491614421.db2.gz XQGOTDWEEIYZOS-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000577359771 491614564 /nfs/dbraw/zinc/61/45/64/491614564.db2.gz XQGOTDWEEIYZOS-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000561677334 491624829 /nfs/dbraw/zinc/62/48/29/491624829.db2.gz VQZILEQNDMPMLD-MRXNPFEDSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000576599936 491628652 /nfs/dbraw/zinc/62/86/52/491628652.db2.gz QATSXGNYXZBCOP-SJLPKXTDSA-N 2 0 360.502 0.734 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620524 491637278 /nfs/dbraw/zinc/63/72/78/491637278.db2.gz QMQLTJHLECXQRA-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577637706 491638982 /nfs/dbraw/zinc/63/89/82/491638982.db2.gz BGLCPDRTGFIYBS-SCTDSRPQSA-N 2 0 353.470 0.869 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1=CC[NH+](C)CC1 ZINC000569171998 491639680 /nfs/dbraw/zinc/63/96/80/491639680.db2.gz NVEMWTAYGBOYNV-HNNXBMFYSA-N 2 0 366.506 0.058 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000569266350 491647905 /nfs/dbraw/zinc/64/79/05/491647905.db2.gz UYHWOVYLYAIAFS-JKSUJKDBSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)C1 ZINC000576886236 491653539 /nfs/dbraw/zinc/65/35/39/491653539.db2.gz VNXONTZVRKWNGI-JJRVBVJISA-N 2 0 362.478 0.864 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000569351244 491654695 /nfs/dbraw/zinc/65/46/95/491654695.db2.gz UTKCXVREBATFKV-RDJZCZTQSA-N 2 0 352.479 0.335 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411428 491659894 /nfs/dbraw/zinc/65/98/94/491659894.db2.gz IEJLSNPGIROKAE-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000578135030 491670704 /nfs/dbraw/zinc/67/07/04/491670704.db2.gz OCWSMVPUFNTORX-KRWDZBQOSA-N 2 0 363.510 0.363 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313963 491674448 /nfs/dbraw/zinc/67/44/48/491674448.db2.gz GXTHYDAFZRFJAI-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000578441900 491677321 /nfs/dbraw/zinc/67/73/21/491677321.db2.gz HNFBUYHIARXORS-NNFUDEMPSA-N 2 0 363.506 0.641 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000578497238 491678356 /nfs/dbraw/zinc/67/83/56/491678356.db2.gz IQKSYFWIOKCUJE-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)NCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000578609247 491680731 /nfs/dbraw/zinc/68/07/31/491680731.db2.gz USYKBCRQJZPZLU-UHFFFAOYSA-N 2 0 365.522 0.761 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000578645095 491681678 /nfs/dbraw/zinc/68/16/78/491681678.db2.gz XOJVTNHPZIVZHD-IBGZPJMESA-N 2 0 359.518 0.850 20 0 FCADRP C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000578745404 491683393 /nfs/dbraw/zinc/68/33/93/491683393.db2.gz RZPZTIYCQWZCKE-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000578985427 491688364 /nfs/dbraw/zinc/68/83/64/491688364.db2.gz SQGPRLOUOPZGTO-RBSFLKMASA-N 2 0 350.467 0.259 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000579097569 491690902 /nfs/dbraw/zinc/69/09/02/491690902.db2.gz OWNHBZHLBDESRE-INIZCTEOSA-N 2 0 351.495 0.513 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000579113574 491691376 /nfs/dbraw/zinc/69/13/76/491691376.db2.gz SZJSRNRCVHQPRR-QAPCUYQASA-N 2 0 370.563 0.824 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210958 491693056 /nfs/dbraw/zinc/69/30/56/491693056.db2.gz ALFJKYFWFKXLOO-OALUTQOASA-N 2 0 359.518 0.848 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579227245 491693410 /nfs/dbraw/zinc/69/34/10/491693410.db2.gz XKXCCAKUQJOKBT-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253189 491694121 /nfs/dbraw/zinc/69/41/21/491694121.db2.gz LBXLKBHFWXAPSQ-CZUORRHYSA-N 2 0 367.453 0.296 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000579270089 491694354 /nfs/dbraw/zinc/69/43/54/491694354.db2.gz OKJRATFNBMJBFZ-HNNXBMFYSA-N 2 0 356.511 0.402 20 0 FCADRP CCN1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@@H]1C ZINC000579364523 491696476 /nfs/dbraw/zinc/69/64/76/491696476.db2.gz LURBQKVNLHYJDF-GJZGRUSLSA-N 2 0 361.490 0.819 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000579392503 491697018 /nfs/dbraw/zinc/69/70/18/491697018.db2.gz CSLMTZQDJMBMTO-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000579607393 491701404 /nfs/dbraw/zinc/70/14/04/491701404.db2.gz WEKDRAPBBJCHHV-ZACQAIPSSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000579622552 491701970 /nfs/dbraw/zinc/70/19/70/491701970.db2.gz UHWVOEZGLDSMTB-SFHVURJKSA-N 2 0 368.547 0.531 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000579690632 491703030 /nfs/dbraw/zinc/70/30/30/491703030.db2.gz VAJGUWAACFYKSM-LSDHHAIUSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000579729209 491703960 /nfs/dbraw/zinc/70/39/60/491703960.db2.gz RSWDIBSVLVXKLE-UHFFFAOYSA-N 2 0 354.539 0.800 20 0 FCADRP CN1CCN(C(=O)CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822368 491706087 /nfs/dbraw/zinc/70/60/87/491706087.db2.gz BMOMZYBHRAFHJS-PXNSSMCTSA-N 2 0 358.486 0.996 20 0 FCADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCC[NH2+]1 ZINC000579957540 491710964 /nfs/dbraw/zinc/71/09/64/491710964.db2.gz CVFVZXITPHVLCC-ICSRJNTNSA-N 2 0 371.485 0.686 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584836162 491716465 /nfs/dbraw/zinc/71/64/65/491716465.db2.gz BDDFCUIASCTCDB-QAPCUYQASA-N 2 0 373.501 0.982 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000580114832 491718334 /nfs/dbraw/zinc/71/83/34/491718334.db2.gz JWWAULWORSPBBM-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000580125459 491718620 /nfs/dbraw/zinc/71/86/20/491718620.db2.gz KWUZZPCOGZUHAT-IIAWOOMASA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000580125767 491718720 /nfs/dbraw/zinc/71/87/20/491718720.db2.gz ZUYDABXLIXAAFL-KYJSFNMBSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000660532349 493360122 /nfs/dbraw/zinc/36/01/22/493360122.db2.gz HAKUDEIFFUGGAU-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000580963939 491753617 /nfs/dbraw/zinc/75/36/17/491753617.db2.gz HFTQJIAMEHXXTF-QLFBSQMISA-N 2 0 363.462 0.616 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000581149030 491761412 /nfs/dbraw/zinc/76/14/12/491761412.db2.gz RIJLRSXNCXJIAS-NXOAAHMSSA-N 2 0 366.506 0.297 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000581149031 491761451 /nfs/dbraw/zinc/76/14/51/491761451.db2.gz RIJLRSXNCXJIAS-TWMKSMIVSA-N 2 0 366.506 0.297 20 0 FCADRP CCO[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000581448337 491773364 /nfs/dbraw/zinc/77/33/64/491773364.db2.gz OGFQACCSCFDZKR-HOTGVXAUSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581883267 491788963 /nfs/dbraw/zinc/78/89/63/491788963.db2.gz UNZIGDRXODXJDI-CYBMUJFWSA-N 2 0 356.434 0.087 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000582110676 491798195 /nfs/dbraw/zinc/79/81/95/491798195.db2.gz HOSAQCTXLNNPGZ-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCc3ncccn3)CC2)CC1 ZINC000582133067 491799359 /nfs/dbraw/zinc/79/93/59/491799359.db2.gz IHVCWEKBNUTLDH-UHFFFAOYSA-N 2 0 374.489 0.111 20 0 FCADRP O=C(CN1CCC[C@@H]1CF)N1CCN(C(=O)CN2CCC[C@@H]2CF)CC1 ZINC000582194472 491802029 /nfs/dbraw/zinc/80/20/29/491802029.db2.gz KQUJCUYBLZZKTL-HZPDHXFCSA-N 2 0 372.460 0.525 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582290631 491805826 /nfs/dbraw/zinc/80/58/26/491805826.db2.gz LWGDKROIYIMAQM-HUUCEWRRSA-N 2 0 351.495 0.370 20 0 FCADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424161 491811879 /nfs/dbraw/zinc/81/18/79/491811879.db2.gz XQPCMTDQQAXODS-GOSISDBHSA-N 2 0 364.465 0.914 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000582547298 491817410 /nfs/dbraw/zinc/81/74/10/491817410.db2.gz AZKAGHHIYANVNB-MBOZVWFJSA-N 2 0 371.485 0.607 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000582724544 491823797 /nfs/dbraw/zinc/82/37/97/491823797.db2.gz ZQOXPKZKFXYNLR-NRFANRHFSA-N 2 0 372.513 0.930 20 0 FCADRP COC(=O)c1cn(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)nn1 ZINC000582846555 491829101 /nfs/dbraw/zinc/82/91/01/491829101.db2.gz VNCVPTPUGVSAKR-WMZOPIPTSA-N 2 0 373.457 0.633 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852495 491829383 /nfs/dbraw/zinc/82/93/83/491829383.db2.gz DWJQHKJFSUJETQ-CVEARBPZSA-N 2 0 370.538 0.552 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CC(C)C ZINC000582976828 491835080 /nfs/dbraw/zinc/83/50/80/491835080.db2.gz UXYKILHHHPDOAE-ARFHVFGLSA-N 2 0 353.511 0.696 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1 ZINC000583435526 491844678 /nfs/dbraw/zinc/84/46/78/491844678.db2.gz KHMSWGNWRGOWCQ-KRWDZBQOSA-N 2 0 372.473 0.648 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000583494067 491846056 /nfs/dbraw/zinc/84/60/56/491846056.db2.gz IPCBAGRYDUNVSJ-DYESRHJHSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000583555187 491847356 /nfs/dbraw/zinc/84/73/56/491847356.db2.gz IOMZXMUHDKUTIK-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000583563319 491847543 /nfs/dbraw/zinc/84/75/43/491847543.db2.gz OYWBNQHNJCKXPW-ROUUACIJSA-N 2 0 373.501 0.935 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583861792 491853434 /nfs/dbraw/zinc/85/34/34/491853434.db2.gz VUWKVJUHGJXXSO-FZMWSMFESA-N 2 0 362.518 0.951 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584068487 491857902 /nfs/dbraw/zinc/85/79/02/491857902.db2.gz MSELISXCIKGOAD-MTXMZZOTSA-N 2 0 362.518 0.916 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079035 491858095 /nfs/dbraw/zinc/85/80/95/491858095.db2.gz KYEPDXOWUHIFCU-DLTWYDFYSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1F ZINC000595261734 491908777 /nfs/dbraw/zinc/90/87/77/491908777.db2.gz AUXBYZDOYNIEAL-GOEBONIOSA-N 2 0 363.437 0.341 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542465 491930516 /nfs/dbraw/zinc/93/05/16/491930516.db2.gz IVCDHYDCBXZTOR-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612541012 491930795 /nfs/dbraw/zinc/93/07/95/491930795.db2.gz BLXURBFBLDAMOV-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000612547962 491932362 /nfs/dbraw/zinc/93/23/62/491932362.db2.gz JCCGBOXCAZDLRG-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC1 ZINC000612917454 491958628 /nfs/dbraw/zinc/95/86/28/491958628.db2.gz WDKJWNYSWAQYRO-AWEZNQCLSA-N 2 0 361.494 0.590 20 0 FCADRP COC[C@]1(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CCCC[NH2+]1 ZINC000602483439 491989103 /nfs/dbraw/zinc/98/91/03/491989103.db2.gz QUMIESMMSNEUOA-MJGOQNOKSA-N 2 0 352.523 0.772 20 0 FCADRP COC(=O)[C@@]1(C)C[NH+](C[C@H](O)C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929253 492005952 /nfs/dbraw/zinc/00/59/52/492005952.db2.gz MMZFIUPWVHCZFE-BCCBVXTOSA-N 2 0 370.490 0.609 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CCOCC1 ZINC000603752714 492041275 /nfs/dbraw/zinc/04/12/75/492041275.db2.gz TUZSEXYILRUQSF-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000614861995 492061531 /nfs/dbraw/zinc/06/15/31/492061531.db2.gz YRSQIOXTRTXYMK-OAHLLOKOSA-N 2 0 372.469 0.625 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000598253316 492090523 /nfs/dbraw/zinc/09/05/23/492090523.db2.gz IYEGAFTVMHNQCN-JKSUJKDBSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615503531 492092518 /nfs/dbraw/zinc/09/25/18/492092518.db2.gz JIJWEPYUUZOJHH-QZTJIDSGSA-N 2 0 364.534 0.833 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000605876069 492104209 /nfs/dbraw/zinc/10/42/09/492104209.db2.gz DGAAQCWQJVQTCK-KRWDZBQOSA-N 2 0 363.506 0.420 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691082 492187505 /nfs/dbraw/zinc/18/75/05/492187505.db2.gz SQRTWRIGDVERQX-HZPDHXFCSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)CCSCCC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000609521500 492211238 /nfs/dbraw/zinc/21/12/38/492211238.db2.gz KZLJAQMPTDEMDD-HOTGVXAUSA-N 2 0 370.563 0.636 20 0 FCADRP COC(=O)[C@H]1CC12CC[NH+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)CC2 ZINC000610259361 492240077 /nfs/dbraw/zinc/24/00/77/492240077.db2.gz RCUYUKMXCLOUSZ-ZIAGYGMSSA-N 2 0 351.447 0.341 20 0 FCADRP CN(CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000619324319 492260658 /nfs/dbraw/zinc/26/06/58/492260658.db2.gz JUOVPGYNIQVTNK-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CN(CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000619324316 492260797 /nfs/dbraw/zinc/26/07/97/492260797.db2.gz JUOVPGYNIQVTNK-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP CCC[NH+]1CC[C@@H](NC(=O)COCC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000619898623 492282205 /nfs/dbraw/zinc/28/22/05/492282205.db2.gz LQAPVJQPAINWKW-IYBDPMFKSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427502 492291788 /nfs/dbraw/zinc/29/17/88/492291788.db2.gz GYMXOLUDGAEUQZ-WBVHZDCISA-N 2 0 350.507 0.966 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000654450171 492305105 /nfs/dbraw/zinc/30/51/05/492305105.db2.gz DCRJCZKXNPRSLO-BRWVUGGUSA-N 2 0 365.522 0.890 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641785825 492305388 /nfs/dbraw/zinc/30/53/88/492305388.db2.gz FUIRFFZRAJVNQN-UHFFFAOYSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627471944 492310214 /nfs/dbraw/zinc/31/02/14/492310214.db2.gz BYFVAFQGHCSSJP-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c2)CC1 ZINC000641822604 492310285 /nfs/dbraw/zinc/31/02/85/492310285.db2.gz VVPVKZNPFCWSSW-UHFFFAOYSA-N 2 0 361.490 0.616 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641828235 492311054 /nfs/dbraw/zinc/31/10/54/492311054.db2.gz UNRYFAUQNANADQ-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000627474764 492312524 /nfs/dbraw/zinc/31/25/24/492312524.db2.gz WXQKTCSAIUIWPM-KRWDZBQOSA-N 2 0 374.485 0.214 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647567281 492314080 /nfs/dbraw/zinc/31/40/80/492314080.db2.gz POLYMPAFKVQRNJ-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000642094870 492334051 /nfs/dbraw/zinc/33/40/51/492334051.db2.gz IJNBANWHPZVJLA-KURKYZTESA-N 2 0 360.502 0.861 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642101794 492335219 /nfs/dbraw/zinc/33/52/19/492335219.db2.gz OQLRKMLEWNBXAC-QZTJIDSGSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCCCCC1 ZINC000642220477 492342284 /nfs/dbraw/zinc/34/22/84/492342284.db2.gz IHFSWWSSFWJNST-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000642257951 492346908 /nfs/dbraw/zinc/34/69/08/492346908.db2.gz NNGYJWTUDMATLU-HZPDHXFCSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000647703065 492347115 /nfs/dbraw/zinc/34/71/15/492347115.db2.gz KYELYULLSQLJRP-GFCCVEGCSA-N 2 0 362.402 0.107 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000642321282 492350016 /nfs/dbraw/zinc/35/00/16/492350016.db2.gz UALMNZDMRJICKV-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000642318735 492350470 /nfs/dbraw/zinc/35/04/70/492350470.db2.gz PRSQMQRCZIBFIU-YJBOKZPZSA-N 2 0 374.485 0.473 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642321283 492350553 /nfs/dbraw/zinc/35/05/53/492350553.db2.gz UALMNZDMRJICKV-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642330544 492352118 /nfs/dbraw/zinc/35/21/18/492352118.db2.gz TTXRDWYQEPIQLB-JONQDZQNSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330478 492352352 /nfs/dbraw/zinc/35/23/52/492352352.db2.gz MBHYTLPLMJKQHB-KFWWJZLASA-N 2 0 354.495 0.188 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642373601 492356062 /nfs/dbraw/zinc/35/60/62/492356062.db2.gz RVIOQBIDOUMWKE-DJIMGWMZSA-N 2 0 362.474 0.103 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105066 492356652 /nfs/dbraw/zinc/35/66/52/492356652.db2.gz KPKLTDKCSJQXFQ-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000642439520 492357552 /nfs/dbraw/zinc/35/75/52/492357552.db2.gz KITWCMPKWGOPDH-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000647777167 492360569 /nfs/dbraw/zinc/36/05/69/492360569.db2.gz BVKOCDGTPVPMEQ-INIZCTEOSA-N 2 0 369.307 0.987 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000642540794 492362890 /nfs/dbraw/zinc/36/28/90/492362890.db2.gz OBMNMBSEDYNBIP-AWEZNQCLSA-N 2 0 364.515 0.945 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cn1 ZINC000647789810 492363328 /nfs/dbraw/zinc/36/33/28/492363328.db2.gz LVJUBRHPPYGBKU-IJEWVQPXSA-N 2 0 367.519 0.551 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)nn1 ZINC000647809431 492363586 /nfs/dbraw/zinc/36/35/86/492363586.db2.gz CIKQVYKYEXXLDQ-DOTOQJQBSA-N 2 0 356.430 0.264 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642640161 492368211 /nfs/dbraw/zinc/36/82/11/492368211.db2.gz BAQIUCNZFGJPIY-XHSDSOJGSA-N 2 0 354.495 0.045 20 0 FCADRP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771028 492368643 /nfs/dbraw/zinc/36/86/43/492368643.db2.gz GJDPGAIDFMYMFM-PSLQGDIJSA-N 2 0 361.490 0.123 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640734 492369214 /nfs/dbraw/zinc/36/92/14/492369214.db2.gz PTFSXPVUZWAJAL-FGTMMUONSA-N 2 0 358.486 0.820 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640948 492369422 /nfs/dbraw/zinc/36/94/22/492369422.db2.gz PTJDFMFARRXVRT-RYQLBKOJSA-N 2 0 356.470 0.491 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000642685596 492372298 /nfs/dbraw/zinc/37/22/98/492372298.db2.gz OSLYKVFQIUBBAF-WMZOPIPTSA-N 2 0 374.485 0.454 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000642731421 492381833 /nfs/dbraw/zinc/38/18/33/492381833.db2.gz CHSOUDXWZHSEFE-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000642731453 492381891 /nfs/dbraw/zinc/38/18/91/492381891.db2.gz JYYMIQOHZQOXBX-OAHLLOKOSA-N 2 0 350.438 0.884 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750875 492384386 /nfs/dbraw/zinc/38/43/86/492384386.db2.gz HDXFYEBYGVEPOY-YYIAUSFCSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750930 492386113 /nfs/dbraw/zinc/38/61/13/492386113.db2.gz XRNJDZQGPQNDAV-PMPSAXMXSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642756709 492386302 /nfs/dbraw/zinc/38/63/02/492386302.db2.gz ZJGGVIZHSWINGA-JQHSSLGASA-N 2 0 374.485 0.199 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000642785678 492391456 /nfs/dbraw/zinc/39/14/56/492391456.db2.gz CTROOHISGBYRTL-FGTMMUONSA-N 2 0 374.460 0.679 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000648105476 492399232 /nfs/dbraw/zinc/39/92/32/492399232.db2.gz BIWYMQSHFAMHCF-MJBXVCDLSA-N 2 0 358.433 0.338 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000642910322 492402225 /nfs/dbraw/zinc/40/22/25/492402225.db2.gz DPBFEQGNJHTMKL-JXFKEZNVSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000642914701 492402773 /nfs/dbraw/zinc/40/27/73/492402773.db2.gz HZJBUGSYLIOLTM-GOSISDBHSA-N 2 0 358.486 0.898 20 0 FCADRP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642918180 492403229 /nfs/dbraw/zinc/40/32/29/492403229.db2.gz PFHXDDAELQMEKC-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918776 492403991 /nfs/dbraw/zinc/40/39/91/492403991.db2.gz BRSNAQBMTLHLRI-UHFFFAOYSA-N 2 0 358.486 0.898 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000642920740 492404377 /nfs/dbraw/zinc/40/43/77/492404377.db2.gz WGXKSZNOIFXJKA-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000642922022 492404965 /nfs/dbraw/zinc/40/49/65/492404965.db2.gz FGYKXMIUSAGGEO-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000642958606 492406799 /nfs/dbraw/zinc/40/67/99/492406799.db2.gz ZIQXZYGYZWPJHF-CWRNSKLLSA-N 2 0 366.506 0.406 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(F)c1 ZINC000642979578 492409310 /nfs/dbraw/zinc/40/93/10/492409310.db2.gz BODYKRSDNTUZOK-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982000 492410118 /nfs/dbraw/zinc/41/01/18/492410118.db2.gz NFASKZQFSFJIOY-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000643013070 492414631 /nfs/dbraw/zinc/41/46/31/492414631.db2.gz SIXZOSJIIBRQRI-GPJARZKNSA-N 2 0 374.529 0.809 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621841386 492423105 /nfs/dbraw/zinc/42/31/05/492423105.db2.gz UYZISIRUPUGUCQ-UZLBHIALSA-N 2 0 374.485 0.583 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621846060 492426077 /nfs/dbraw/zinc/42/60/77/492426077.db2.gz VHRFYZNYHRDTGR-XLIONFOSSA-N 2 0 358.486 0.747 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000621992151 492438368 /nfs/dbraw/zinc/43/83/68/492438368.db2.gz OAHHWEFAJLLYRS-KRWDZBQOSA-N 2 0 374.485 0.886 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622025384 492442099 /nfs/dbraw/zinc/44/20/99/492442099.db2.gz PODXABCMLYDJDK-QFBILLFUSA-N 2 0 350.507 0.907 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552416 492455645 /nfs/dbraw/zinc/45/56/45/492455645.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 2 0 367.538 0.301 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556288 492456472 /nfs/dbraw/zinc/45/64/72/492456472.db2.gz GTOAAHLPKATSIZ-QZTJIDSGSA-N 2 0 367.538 0.517 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655556308 492456613 /nfs/dbraw/zinc/45/66/13/492456613.db2.gz HPAROSZRMGMYRR-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635547609 492468624 /nfs/dbraw/zinc/46/86/24/492468624.db2.gz HXIOFFBCVGUZEI-HNNXBMFYSA-N 2 0 374.489 0.279 20 0 FCADRP COC[C@](C)(CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635566487 492473296 /nfs/dbraw/zinc/47/32/96/492473296.db2.gz YOZDFQMVDGJLCS-BXWFABGCSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478995 492475228 /nfs/dbraw/zinc/47/52/28/492475228.db2.gz ZKBWVYHHZQZWFT-SJORKVTESA-N 2 0 371.485 0.578 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643480984 492477384 /nfs/dbraw/zinc/47/73/84/492477384.db2.gz MGKHJPOUPIZAEB-RBUKOAKNSA-N 2 0 370.497 0.931 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000635583142 492477769 /nfs/dbraw/zinc/47/77/69/492477769.db2.gz WZVFAVDCOKWYET-MRXNPFEDSA-N 2 0 353.507 0.962 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643484590 492478179 /nfs/dbraw/zinc/47/81/79/492478179.db2.gz DQIJIGJBHWDIAZ-KDURUIRLSA-N 2 0 370.497 0.707 20 0 FCADRP O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643483374 492478192 /nfs/dbraw/zinc/47/81/92/492478192.db2.gz ZPUFUHKFODJZCV-FQEVSTJZSA-N 2 0 362.518 0.923 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000643484616 492478492 /nfs/dbraw/zinc/47/84/92/492478492.db2.gz HUJZNBJHGMZSDZ-SFHVURJKSA-N 2 0 358.486 0.979 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000643503478 492483914 /nfs/dbraw/zinc/48/39/14/492483914.db2.gz DKHLBUWGRXATCV-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]1 ZINC000643515348 492487114 /nfs/dbraw/zinc/48/71/14/492487114.db2.gz STNGKXGXWKNYNA-QGZVFWFLSA-N 2 0 366.506 0.014 20 0 FCADRP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643525066 492489757 /nfs/dbraw/zinc/48/97/57/492489757.db2.gz QOBOHZHCLYHFSF-KRWDZBQOSA-N 2 0 362.518 0.923 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000643524375 492490156 /nfs/dbraw/zinc/49/01/56/492490156.db2.gz NUJNSKPPKYSXJC-GDBMZVCRSA-N 2 0 350.463 0.756 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000643531817 492490898 /nfs/dbraw/zinc/49/08/98/492490898.db2.gz NUZHLSKKONDHKA-GOSISDBHSA-N 2 0 358.486 0.917 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC[C@H]1[NH3+] ZINC000643539788 492493501 /nfs/dbraw/zinc/49/35/01/492493501.db2.gz JPLXVYDBRPGLGK-BRWVUGGUSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000643540900 492494550 /nfs/dbraw/zinc/49/45/50/492494550.db2.gz PFYJTRGFERELRR-RYRKJORJSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635703453 492494736 /nfs/dbraw/zinc/49/47/36/492494736.db2.gz LFMQZFQWAWYSEK-INIZCTEOSA-N 2 0 366.506 0.110 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643544152 492495109 /nfs/dbraw/zinc/49/51/09/492495109.db2.gz RMAZXDWZFGIZIB-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643545301 492495823 /nfs/dbraw/zinc/49/58/23/492495823.db2.gz XKTCRTDNKNHFSY-TVFCKZIOSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)[C@@H]2C1 ZINC000643549989 492497749 /nfs/dbraw/zinc/49/77/49/492497749.db2.gz OAHYACVRLAZESH-DJIMGWMZSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000643553492 492497776 /nfs/dbraw/zinc/49/77/76/492497776.db2.gz CHFIIAVFEGPMOQ-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC000655958929 492498040 /nfs/dbraw/zinc/49/80/40/492498040.db2.gz PMSHWKIRQNGQDA-FHLIZLRMSA-N 2 0 371.485 0.969 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2C1 ZINC000655958933 492498194 /nfs/dbraw/zinc/49/81/94/492498194.db2.gz PMSHWKIRQNGQDA-OLMNPRSZSA-N 2 0 371.485 0.969 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CCO1 ZINC000643560507 492498331 /nfs/dbraw/zinc/49/83/31/492498331.db2.gz SQMMDZDCWXHNIM-ZFWWWQNUSA-N 2 0 368.503 0.213 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CCO1 ZINC000643560504 492498703 /nfs/dbraw/zinc/49/87/03/492498703.db2.gz SQMMDZDCWXHNIM-HIFRSBDPSA-N 2 0 368.503 0.213 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000643553786 492498742 /nfs/dbraw/zinc/49/87/42/492498742.db2.gz PIRAWQAXULAFIC-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000643564583 492499968 /nfs/dbraw/zinc/49/99/68/492499968.db2.gz WHBRPCXGQVRQCW-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643586153 492500795 /nfs/dbraw/zinc/50/07/95/492500795.db2.gz YASHMLAAGAFITC-BPQIPLTHSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635749035 492500922 /nfs/dbraw/zinc/50/09/22/492500922.db2.gz IBDNKALOXSTIDQ-QZTJIDSGSA-N 2 0 366.550 0.829 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643594499 492503896 /nfs/dbraw/zinc/50/38/96/492503896.db2.gz IIPCVCANYRSFIZ-BBWFWOEESA-N 2 0 350.507 0.777 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643594501 492503944 /nfs/dbraw/zinc/50/39/44/492503944.db2.gz IIPCVCANYRSFIZ-ULQDDVLXSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C1(CNC(=O)CN2CCCNC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000643606707 492505623 /nfs/dbraw/zinc/50/56/23/492505623.db2.gz CEPGRUOSZNHKDB-UHFFFAOYSA-N 2 0 359.474 0.511 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000635807482 492507525 /nfs/dbraw/zinc/50/75/25/492507525.db2.gz ITZDFABKPFHWLD-IIAWOOMASA-N 2 0 364.494 0.032 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc21 ZINC000635802742 492507697 /nfs/dbraw/zinc/50/76/97/492507697.db2.gz VEQBIUBQMJZZGD-GOSISDBHSA-N 2 0 361.446 0.100 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc21 ZINC000635802743 492508068 /nfs/dbraw/zinc/50/80/68/492508068.db2.gz VEQBIUBQMJZZGD-SFHVURJKSA-N 2 0 361.446 0.100 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000649272131 492516725 /nfs/dbraw/zinc/51/67/25/492516725.db2.gz GOJCZSCKGBEWHO-UHFFFAOYSA-N 2 0 359.518 0.562 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649313999 492529588 /nfs/dbraw/zinc/52/95/88/492529588.db2.gz GKUJRWDNLUQKET-QGZVFWFLSA-N 2 0 374.485 0.601 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315706 492530340 /nfs/dbraw/zinc/53/03/40/492530340.db2.gz CVERYRYLMXDELH-HOTGVXAUSA-N 2 0 360.458 0.558 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@]2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC000635943004 492531697 /nfs/dbraw/zinc/53/16/97/492531697.db2.gz JMALUUNYGQHBBA-KRWDZBQOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)ccc2[nH]c1=O ZINC000635999858 492537249 /nfs/dbraw/zinc/53/72/49/492537249.db2.gz WBMVIOYHEHZBLY-HALDLXJZSA-N 2 0 357.458 0.936 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccccc2O1 ZINC000649347132 492542755 /nfs/dbraw/zinc/54/27/55/492542755.db2.gz GPLCQUBAGKYHRS-CQSZACIVSA-N 2 0 358.446 0.986 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC000649350125 492544583 /nfs/dbraw/zinc/54/45/83/492544583.db2.gz GEKSEQZQGHVFEP-CQSZACIVSA-N 2 0 353.417 0.694 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000656104596 492552541 /nfs/dbraw/zinc/55/25/41/492552541.db2.gz RQENCUYTRZUXOY-XHSDSOJGSA-N 2 0 350.507 0.905 20 0 FCADRP c1ccc(N2CCN(C[C@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414517 492552577 /nfs/dbraw/zinc/55/25/77/492552577.db2.gz DZJZTEILXBCSBO-FQEVSTJZSA-N 2 0 372.561 0.821 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000656104595 492552625 /nfs/dbraw/zinc/55/26/25/492552625.db2.gz RQENCUYTRZUXOY-JYJNAYRXSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656304819 492579489 /nfs/dbraw/zinc/57/94/89/492579489.db2.gz ICBUIHUEHIDMTE-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1C ZINC000656311760 492585703 /nfs/dbraw/zinc/58/57/03/492585703.db2.gz HTCCXWKAOUMTCV-CABCVRRESA-N 2 0 362.478 0.235 20 0 FCADRP COCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOCC1 ZINC000644161392 492655622 /nfs/dbraw/zinc/65/56/22/492655622.db2.gz VAUFERBUUPCTRY-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636674598 492656306 /nfs/dbraw/zinc/65/63/06/492656306.db2.gz OGUGHMFCNMABIH-MRXNPFEDSA-N 2 0 350.463 0.493 20 0 FCADRP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CCOCC[NH3+] ZINC000629580048 492656523 /nfs/dbraw/zinc/65/65/23/492656523.db2.gz SFUIUYWAVQAXED-HUUCEWRRSA-N 2 0 351.447 0.580 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629793572 492674087 /nfs/dbraw/zinc/67/40/87/492674087.db2.gz FZBVCSZFLHYFCX-STQMWFEESA-N 2 0 364.412 0.526 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629793568 492674424 /nfs/dbraw/zinc/67/44/24/492674424.db2.gz FZBVCSZFLHYFCX-OLZOCXBDSA-N 2 0 364.412 0.526 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000636743451 492678879 /nfs/dbraw/zinc/67/88/79/492678879.db2.gz FFMQWRMBBBDLHP-KRWDZBQOSA-N 2 0 364.490 0.883 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000629800866 492678993 /nfs/dbraw/zinc/67/89/93/492678993.db2.gz CMRORKYNLAVLPR-UHFFFAOYSA-N 2 0 354.495 0.145 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629809277 492682962 /nfs/dbraw/zinc/68/29/62/492682962.db2.gz PBQAURXEOAWDKP-AVGNSLFASA-N 2 0 364.412 0.525 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000629811012 492683708 /nfs/dbraw/zinc/68/37/08/492683708.db2.gz FQOUCLHFFGOPFS-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1=O ZINC000624787090 492683878 /nfs/dbraw/zinc/68/38/78/492683878.db2.gz OZGOUIFADUPJOS-MRXNPFEDSA-N 2 0 351.495 0.419 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644339089 492714666 /nfs/dbraw/zinc/71/46/66/492714666.db2.gz VFBXBTQHMVNUIE-ZACQAIPSSA-N 2 0 354.495 0.384 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636960852 492738289 /nfs/dbraw/zinc/73/82/89/492738289.db2.gz NLSBLPDEHPVIKE-MAUKXSAKSA-N 2 0 361.490 0.973 20 0 FCADRP Cc1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637092707 492765962 /nfs/dbraw/zinc/76/59/62/492765962.db2.gz KKQFUJQEIMNQRI-GOSISDBHSA-N 2 0 373.501 0.633 20 0 FCADRP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631163203 492800853 /nfs/dbraw/zinc/80/08/53/492800853.db2.gz LTOLLPGXYPYZEX-BRSBDYLESA-N 2 0 364.534 0.929 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000637259380 492801494 /nfs/dbraw/zinc/80/14/94/492801494.db2.gz VVVVNIUXYQTCMF-XHSDSOJGSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373439 492813122 /nfs/dbraw/zinc/81/31/22/492813122.db2.gz OTTTUWCOGFYXQK-XHSDSOJGSA-N 2 0 351.495 0.594 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000637375941 492815689 /nfs/dbraw/zinc/81/56/89/492815689.db2.gz AGOSDPPYQHYENF-CVEARBPZSA-N 2 0 351.495 0.596 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637375943 492815700 /nfs/dbraw/zinc/81/57/00/492815700.db2.gz AHTIPYMWXLXKPL-INIZCTEOSA-N 2 0 353.511 0.700 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377070 492816483 /nfs/dbraw/zinc/81/64/83/492816483.db2.gz VBHITJVESZQJMI-XHSDSOJGSA-N 2 0 353.511 0.840 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000637376024 492816657 /nfs/dbraw/zinc/81/66/57/492816657.db2.gz CZNKTCHFQCOIQN-KRWDZBQOSA-N 2 0 365.522 0.986 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000644895085 492821084 /nfs/dbraw/zinc/82/10/84/492821084.db2.gz HLKUBKLHDSZNEF-KRWDZBQOSA-N 2 0 365.522 0.762 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631758547 492847535 /nfs/dbraw/zinc/84/75/35/492847535.db2.gz CPAMAVPWCRNIKP-HDICACEKSA-N 2 0 374.595 0.911 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000637639696 492854080 /nfs/dbraw/zinc/85/40/80/492854080.db2.gz OPBKESAWIMNNIO-LBPRGKRZSA-N 2 0 365.404 0.516 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813195 492869130 /nfs/dbraw/zinc/86/91/30/492869130.db2.gz LVQFQKHQFYXONJ-RDJZCZTQSA-N 2 0 360.458 0.365 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813194 492869713 /nfs/dbraw/zinc/86/97/13/492869713.db2.gz LVQFQKHQFYXONJ-NVXWUHKLSA-N 2 0 360.458 0.365 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631910026 492876685 /nfs/dbraw/zinc/87/66/85/492876685.db2.gz VFFBWLCLSBACGC-INIZCTEOSA-N 2 0 352.504 0.779 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000658427172 492885682 /nfs/dbraw/zinc/88/56/82/492885682.db2.gz OAZMLNORWVJAKU-CQSZACIVSA-N 2 0 364.494 0.935 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000652153298 492888056 /nfs/dbraw/zinc/88/80/56/492888056.db2.gz GGAAIWIBQMTERF-QGZVFWFLSA-N 2 0 353.511 0.163 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000631928154 492889338 /nfs/dbraw/zinc/88/93/38/492889338.db2.gz ROIUNSKSPGSYOH-PBHICJAKSA-N 2 0 356.536 0.864 20 0 FCADRP CCCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645296014 492889711 /nfs/dbraw/zinc/88/97/11/492889711.db2.gz CBRNNHJWFQOQJK-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631931000 492890232 /nfs/dbraw/zinc/89/02/32/492890232.db2.gz DBTJFSVBMHMPRI-OAHLLOKOSA-N 2 0 360.524 0.122 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658449875 492898040 /nfs/dbraw/zinc/89/80/40/492898040.db2.gz KMAQNUKJOLENTB-SFHVURJKSA-N 2 0 360.502 0.782 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638134493 492913375 /nfs/dbraw/zinc/91/33/75/492913375.db2.gz NUKLXDZVFXITMB-ICSRJNTNSA-N 2 0 360.502 0.687 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638134717 492914079 /nfs/dbraw/zinc/91/40/79/492914079.db2.gz OFJFHCKZBFJVLI-ADEWGFFLSA-N 2 0 354.405 0.963 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638134492 492914410 /nfs/dbraw/zinc/91/44/10/492914410.db2.gz NUKLXDZVFXITMB-AZUAARDMSA-N 2 0 360.502 0.687 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC000638137810 492915876 /nfs/dbraw/zinc/91/58/76/492915876.db2.gz OKQQZIDWDMJODG-UHFFFAOYSA-N 2 0 373.545 0.919 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652362742 492915992 /nfs/dbraw/zinc/91/59/92/492915992.db2.gz NUIWHKVMSVQKOU-MLHJIOFPSA-N 2 0 366.506 0.474 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632047395 492918768 /nfs/dbraw/zinc/91/87/68/492918768.db2.gz JQNYSLYVOBTBSF-QGZVFWFLSA-N 2 0 360.568 0.617 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000638149176 492918819 /nfs/dbraw/zinc/91/88/19/492918819.db2.gz QBLXAFGDVZECNV-WBAXXEDZSA-N 2 0 374.485 0.802 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638218200 492923212 /nfs/dbraw/zinc/92/32/12/492923212.db2.gz DVHPADFZRPIUJK-KGLIPLIRSA-N 2 0 360.380 0.647 20 0 FCADRP [NH3+]C1(CC(=O)NC[C@@H]2C[NH2+]CCCO2)CCN(Cc2ccccc2)CC1 ZINC000638265254 492926372 /nfs/dbraw/zinc/92/63/72/492926372.db2.gz KSTLXSAQICDAOA-SFHVURJKSA-N 2 0 360.502 0.865 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)cc21 ZINC000638352853 492939579 /nfs/dbraw/zinc/93/95/79/492939579.db2.gz QXMYPRLMOZHLEX-JKSUJKDBSA-N 2 0 359.430 0.116 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000645760582 492971142 /nfs/dbraw/zinc/97/11/42/492971142.db2.gz OGONUPQMHALVCW-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP COc1ccncc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652627095 492972577 /nfs/dbraw/zinc/97/25/77/492972577.db2.gz RDSHNBQEKJZNCW-XEZPLFJOSA-N 2 0 362.430 0.774 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786894 492974726 /nfs/dbraw/zinc/97/47/26/492974726.db2.gz IDWGFJFOAFNNEB-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000638752712 492975922 /nfs/dbraw/zinc/97/59/22/492975922.db2.gz NZCPJRSIBKBXEU-MRXNPFEDSA-N 2 0 362.478 0.464 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000645819328 492977753 /nfs/dbraw/zinc/97/77/53/492977753.db2.gz LCUQJUXZCFNMHO-GOSISDBHSA-N 2 0 362.478 0.328 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638804858 492980115 /nfs/dbraw/zinc/98/01/15/492980115.db2.gz YEWVTDWWYHXSSY-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cccc4c3CC[NH2+]C4)CC2)C1=O ZINC000638855634 492982195 /nfs/dbraw/zinc/98/21/95/492982195.db2.gz GDLJLJBYSKBVGA-LJQANCHMSA-N 2 0 370.497 0.686 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1=O ZINC000638855927 492982629 /nfs/dbraw/zinc/98/26/29/492982629.db2.gz IRCKCXBHBGVILH-SWLSCSKDSA-N 2 0 362.396 0.340 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)C1=O ZINC000638856721 492982971 /nfs/dbraw/zinc/98/29/71/492982971.db2.gz SGFBHHKDJHPFII-SYCZQAEJSA-N 2 0 362.518 0.951 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000652671931 492984162 /nfs/dbraw/zinc/98/41/62/492984162.db2.gz TUTREKXMGZWADL-SJORKVTESA-N 2 0 366.506 0.068 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673254 492984873 /nfs/dbraw/zinc/98/48/73/492984873.db2.gz ITFIYNVKAPEIHK-OWCLPIDISA-N 2 0 352.523 0.975 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949242 492989265 /nfs/dbraw/zinc/98/92/65/492989265.db2.gz ZJUZUDVAKHYKFZ-QBPKDAKJSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941210 492990275 /nfs/dbraw/zinc/99/02/75/492990275.db2.gz UGJWTDLAOKVIEH-PZJWPPBQSA-N 2 0 372.513 0.393 20 0 FCADRP COc1cccc(C(=O)NCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638984895 492990543 /nfs/dbraw/zinc/99/05/43/492990543.db2.gz UHERSRSHPGIDBU-UHFFFAOYSA-N 2 0 369.425 0.868 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000638987972 492991770 /nfs/dbraw/zinc/99/17/70/492991770.db2.gz PYMRRLVRSJDXGQ-VXGBXAGGSA-N 2 0 371.363 0.887 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693218 492992123 /nfs/dbraw/zinc/99/21/23/492992123.db2.gz PPEBSOJPAZSLQL-BBWFWOEESA-N 2 0 368.522 0.579 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002959 492999448 /nfs/dbraw/zinc/99/94/48/492999448.db2.gz LIIJMLYXPICOHG-MDZRGWNJSA-N 2 0 352.523 0.757 20 0 FCADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009504 492999907 /nfs/dbraw/zinc/99/99/07/492999907.db2.gz OHGLTCDEEXPWRH-RBUKOAKNSA-N 2 0 360.502 0.989 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652728368 493006501 /nfs/dbraw/zinc/00/65/01/493006501.db2.gz HOZLTBXFKOGGLL-ULQDDVLXSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000646066180 493009764 /nfs/dbraw/zinc/00/97/64/493009764.db2.gz FDNFKLYBOFKIFK-UHFFFAOYSA-N 2 0 360.458 0.907 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639449786 493011144 /nfs/dbraw/zinc/01/11/44/493011144.db2.gz BVKUSPCRHUKLQJ-FQEVSTJZSA-N 2 0 360.502 0.329 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[NH+]1CCN(C)CC1 ZINC000646107804 493012671 /nfs/dbraw/zinc/01/26/71/493012671.db2.gz BUTMWEJZDQTGIU-ZWKOTPCHSA-N 2 0 362.522 0.809 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nn1 ZINC000646112135 493014738 /nfs/dbraw/zinc/01/47/38/493014738.db2.gz IJCXQZZPQQLNNW-UHFFFAOYSA-N 2 0 372.473 0.514 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000658706909 493019238 /nfs/dbraw/zinc/01/92/38/493019238.db2.gz IQIJQTYAJQEWMB-OAHLLOKOSA-N 2 0 364.494 0.620 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000632544494 493026287 /nfs/dbraw/zinc/02/62/87/493026287.db2.gz HTZJPLXZNSLRLS-INIZCTEOSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000626880088 493045578 /nfs/dbraw/zinc/04/55/78/493045578.db2.gz ZUMKWKRKKQLXNP-CRAIPNDOSA-N 2 0 374.485 0.962 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646428267 493048399 /nfs/dbraw/zinc/04/83/99/493048399.db2.gz MBXKBDDYRGOQLW-HUUCEWRRSA-N 2 0 350.467 0.213 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626980306 493073418 /nfs/dbraw/zinc/07/34/18/493073418.db2.gz QNTRRZPSQBGULB-DLBZAZTESA-N 2 0 353.511 0.032 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000653123990 493074789 /nfs/dbraw/zinc/07/47/89/493074789.db2.gz NJWXSQGDYYIDAZ-HNNXBMFYSA-N 2 0 355.527 0.008 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000626995680 493076948 /nfs/dbraw/zinc/07/69/48/493076948.db2.gz CRQRGRTVJZUQNW-UHFFFAOYSA-N 2 0 356.511 0.886 20 0 FCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000653164448 493081199 /nfs/dbraw/zinc/08/11/99/493081199.db2.gz MCYHGFBOGOESCE-YYIAUSFCSA-N 2 0 361.490 0.264 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000627092300 493087128 /nfs/dbraw/zinc/08/71/28/493087128.db2.gz SWNQSVKTGNSBKU-SGMGOOAPSA-N 2 0 352.401 0.924 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000653260063 493087324 /nfs/dbraw/zinc/08/73/24/493087324.db2.gz BWGSCSYUPFWOJT-UGUYLWEFSA-N 2 0 352.479 0.132 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779088 493087628 /nfs/dbraw/zinc/08/76/28/493087628.db2.gz RPHAOPPYCRSCTN-UCIFAOBLSA-N 2 0 360.502 0.053 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627188546 493104584 /nfs/dbraw/zinc/10/45/84/493104584.db2.gz VXBCEVOUUAZWIY-MRXNPFEDSA-N 2 0 350.463 0.757 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1Cl ZINC000633027184 493105371 /nfs/dbraw/zinc/10/53/71/493105371.db2.gz LQIBPXDZIHNLNK-STQMWFEESA-N 2 0 366.849 0.792 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000633030927 493107278 /nfs/dbraw/zinc/10/72/78/493107278.db2.gz PAJBCZRZQSLOFZ-OKILXGFUSA-N 2 0 364.421 0.667 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627227994 493110644 /nfs/dbraw/zinc/11/06/44/493110644.db2.gz ASDCRBATQASLIF-IAGOWNOFSA-N 2 0 361.494 0.972 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627228728 493111634 /nfs/dbraw/zinc/11/16/34/493111634.db2.gz WQRVGMSFBXMFKQ-QGZVFWFLSA-N 2 0 361.494 0.830 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633079645 493117700 /nfs/dbraw/zinc/11/77/00/493117700.db2.gz YRMFQRUTRRTTBU-KSZLIROESA-N 2 0 356.470 0.682 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258984 493120428 /nfs/dbraw/zinc/12/04/28/493120428.db2.gz KHOVYLVIEOKUOO-CMKODMSKSA-N 2 0 359.470 0.291 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000658986081 493121694 /nfs/dbraw/zinc/12/16/94/493121694.db2.gz QYMYOBMIOFNIJC-UHFFFAOYSA-N 2 0 360.418 0.903 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000633102390 493126289 /nfs/dbraw/zinc/12/62/89/493126289.db2.gz SLDWFSMOEBZBNP-CALCHBBNSA-N 2 0 374.485 0.548 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000640836744 493134651 /nfs/dbraw/zinc/13/46/51/493134651.db2.gz IGBARVFFWDIURE-GOSISDBHSA-N 2 0 371.489 0.102 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627292316 493136507 /nfs/dbraw/zinc/13/65/07/493136507.db2.gz RLHUAJYGSGQWJI-DLBZAZTESA-N 2 0 362.474 0.290 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000627292308 493137008 /nfs/dbraw/zinc/13/70/08/493137008.db2.gz REZYIUGCKFMLLC-ROUUACIJSA-N 2 0 360.502 0.732 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C)C1 ZINC000646988966 493141996 /nfs/dbraw/zinc/14/19/96/493141996.db2.gz YNFGTIHPEDYTRX-WMLDXEAASA-N 2 0 356.536 0.483 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627325931 493154893 /nfs/dbraw/zinc/15/48/93/493154893.db2.gz YPMULMCQJRRFQS-IJLUTSLNSA-N 2 0 352.401 0.429 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000659114137 493160324 /nfs/dbraw/zinc/16/03/24/493160324.db2.gz SRPIJEPVFMQYDX-ZDUSSCGKSA-N 2 0 363.462 0.548 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091852 493162443 /nfs/dbraw/zinc/16/24/43/493162443.db2.gz QUKDIIDFQWCOBO-IXDOHACOSA-N 2 0 363.506 0.608 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc(CC[NH3+])nn3)CC2)cc1 ZINC000641029652 493162994 /nfs/dbraw/zinc/16/29/94/493162994.db2.gz YZKWAFJGQPFIOC-UHFFFAOYSA-N 2 0 356.474 0.822 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627342898 493163139 /nfs/dbraw/zinc/16/31/39/493163139.db2.gz SGSIESYVMAJTPG-RDJZCZTQSA-N 2 0 366.506 0.060 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000627345105 493165026 /nfs/dbraw/zinc/16/50/26/493165026.db2.gz BFHMIEAGTVJWAQ-UHFFFAOYSA-N 2 0 362.474 0.332 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccs1 ZINC000659425153 493172924 /nfs/dbraw/zinc/17/29/24/493172924.db2.gz IRMFHFMHZVQGOY-LLVKDONJSA-N 2 0 350.448 0.805 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CCCCC1 ZINC000659434492 493176107 /nfs/dbraw/zinc/17/61/07/493176107.db2.gz NKJPOOZSVVNCJD-AWEZNQCLSA-N 2 0 350.467 0.951 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659441497 493178219 /nfs/dbraw/zinc/17/82/19/493178219.db2.gz SYLHXYKRHMIVNZ-YVEFUNNKSA-N 2 0 350.467 0.951 20 0 FCADRP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000659453308 493183027 /nfs/dbraw/zinc/18/30/27/493183027.db2.gz KWSCZMBLMPQCQX-CYBMUJFWSA-N 2 0 358.446 0.961 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000659318767 493190489 /nfs/dbraw/zinc/19/04/89/493190489.db2.gz YIIOWVCOFYTDEV-HNNXBMFYSA-N 2 0 364.494 0.068 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659508193 493202742 /nfs/dbraw/zinc/20/27/42/493202742.db2.gz OHKYGGDGSWQAQC-SFHVURJKSA-N 2 0 373.501 0.377 20 0 FCADRP O=C(CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[NH2+]CC1 ZINC000659506416 493202819 /nfs/dbraw/zinc/20/28/19/493202819.db2.gz AJOOINZXEWQQRN-UHFFFAOYSA-N 2 0 374.489 0.025 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000659551939 493211271 /nfs/dbraw/zinc/21/12/71/493211271.db2.gz YLNADYJVLNVONF-QGZVFWFLSA-N 2 0 354.495 0.555 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000659627460 493223022 /nfs/dbraw/zinc/22/30/22/493223022.db2.gz VEHMWZLOVJLWPO-GDBMZVCRSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643175 493228449 /nfs/dbraw/zinc/22/84/49/493228449.db2.gz SKPMTMMECJKLMM-MRXNPFEDSA-N 2 0 367.538 0.070 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C)c1 ZINC000659673364 493243622 /nfs/dbraw/zinc/24/36/22/493243622.db2.gz BUBZFDWSXPKLPD-HNNXBMFYSA-N 2 0 350.463 0.610 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)ccn1 ZINC000659679522 493247722 /nfs/dbraw/zinc/24/77/22/493247722.db2.gz KRKTYMLRQOQKDY-UHFFFAOYSA-N 2 0 363.462 0.026 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000659687752 493253607 /nfs/dbraw/zinc/25/36/07/493253607.db2.gz ZYQHOKLGNOGLPJ-KBPBESRZSA-N 2 0 352.504 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000681948502 493256456 /nfs/dbraw/zinc/25/64/56/493256456.db2.gz BBNVFBRLWCSISH-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1=CC[N@H+](C)CC1 ZINC000659700928 493261449 /nfs/dbraw/zinc/26/14/49/493261449.db2.gz ASKKLNDZJVNRRB-YJBOKZPZSA-N 2 0 362.518 0.991 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659712385 493267811 /nfs/dbraw/zinc/26/78/11/493267811.db2.gz JANVMNHPWVXOMI-QGZVFWFLSA-N 2 0 359.474 0.278 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659716205 493269626 /nfs/dbraw/zinc/26/96/26/493269626.db2.gz UZSQECUXVBKDDG-YOEHRIQHSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718300 493270540 /nfs/dbraw/zinc/27/05/40/493270540.db2.gz OSDOGBXUAKZOCL-DLBZAZTESA-N 2 0 350.507 0.858 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720157 493270778 /nfs/dbraw/zinc/27/07/78/493270778.db2.gz ATBIKCQPYIJKGR-MAUKXSAKSA-N 2 0 373.501 0.667 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000641658816 493271235 /nfs/dbraw/zinc/27/12/35/493271235.db2.gz OIZHGZOCWQTONB-AWEZNQCLSA-N 2 0 365.444 0.806 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCC[NH2+]C1 ZINC000659723387 493272406 /nfs/dbraw/zinc/27/24/06/493272406.db2.gz MQVRESSPAHIZMM-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641667710 493273884 /nfs/dbraw/zinc/27/38/84/493273884.db2.gz ICEYDUMXOHLQLK-GOSISDBHSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659726914 493274424 /nfs/dbraw/zinc/27/44/24/493274424.db2.gz CQSLHGKBZGHEMV-YJBOKZPZSA-N 2 0 373.501 0.606 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000682222150 493279949 /nfs/dbraw/zinc/27/99/49/493279949.db2.gz FUIWONAZWKERDO-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000667403050 493283065 /nfs/dbraw/zinc/28/30/65/493283065.db2.gz RRLLBAOMQQQQNB-CZUORRHYSA-N 2 0 364.446 0.140 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)CCCO1 ZINC000673044034 493284011 /nfs/dbraw/zinc/28/40/11/493284011.db2.gz WHBYGZBUJVWLDW-INIZCTEOSA-N 2 0 356.511 0.585 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659753886 493286464 /nfs/dbraw/zinc/28/64/64/493286464.db2.gz BCVVFPVOUXPGIE-INIZCTEOSA-N 2 0 350.507 0.812 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000667583574 493290766 /nfs/dbraw/zinc/29/07/66/493290766.db2.gz AIJNELMEZMCDHH-KBPBESRZSA-N 2 0 366.437 0.854 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673120037 493292379 /nfs/dbraw/zinc/29/23/79/493292379.db2.gz XZFYBWHFBWWYOC-GDBMZVCRSA-N 2 0 362.478 0.468 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000668302258 493329622 /nfs/dbraw/zinc/32/96/22/493329622.db2.gz CITCCBDTUUMTHO-KGLIPLIRSA-N 2 0 369.428 0.922 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000668526237 493371045 /nfs/dbraw/zinc/37/10/45/493371045.db2.gz BQXKZIIPNZGZRU-CXAGYDPISA-N 2 0 356.536 0.529 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538065 493372840 /nfs/dbraw/zinc/37/28/40/493372840.db2.gz SHWUJDKNAUPNJX-INIZCTEOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000668584450 493379537 /nfs/dbraw/zinc/37/95/37/493379537.db2.gz CULXDOTYPZZEPT-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[C@H](NC(=O)C3([NH+](C)C)CC3)C2)CC1 ZINC000668590842 493381393 /nfs/dbraw/zinc/38/13/93/493381393.db2.gz KAZRYPYNOZXVHR-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668633453 493387111 /nfs/dbraw/zinc/38/71/11/493387111.db2.gz MNZPSQOZHNJTJT-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668777300 493409122 /nfs/dbraw/zinc/40/91/22/493409122.db2.gz USJRVBBIALVYSU-HOCLYGCPSA-N 2 0 354.495 0.202 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668796009 493412828 /nfs/dbraw/zinc/41/28/28/493412828.db2.gz IWBFQPJVBVVVIU-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668827074 493416656 /nfs/dbraw/zinc/41/66/56/493416656.db2.gz PPTQCVCSJGFEAX-NVXWUHKLSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000668827638 493416667 /nfs/dbraw/zinc/41/66/67/493416667.db2.gz KTCFNFZBEIIUHW-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843690 493419857 /nfs/dbraw/zinc/41/98/57/493419857.db2.gz WISDRFUEIIKOTE-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661508788 493443096 /nfs/dbraw/zinc/44/30/96/493443096.db2.gz QHLNOAQMZQEIAI-INIZCTEOSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661598081 493449406 /nfs/dbraw/zinc/44/94/06/493449406.db2.gz ODGPNRUCBLKULX-HSFUPAIVSA-N 2 0 362.518 0.966 20 0 FCADRP O=C1CC[C@@H]2C[NH+](CCCC[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661600796 493449783 /nfs/dbraw/zinc/44/97/83/493449783.db2.gz JRWIJPISOOZMRL-MHORFTMASA-N 2 0 362.518 0.968 20 0 FCADRP O=C1CC[C@@H]2C[N@H+](CCCC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661600798 493449981 /nfs/dbraw/zinc/44/99/81/493449981.db2.gz JRWIJPISOOZMRL-USTZCAOPSA-N 2 0 362.518 0.968 20 0 FCADRP O=C1CC[C@@H]2C[NH+](CCCC[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661600795 493450191 /nfs/dbraw/zinc/45/01/91/493450191.db2.gz JRWIJPISOOZMRL-BDXSIMOUSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000661662977 493456159 /nfs/dbraw/zinc/45/61/59/493456159.db2.gz JFXBBXAHCYZTOT-VQIMIIECSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000669139231 493467088 /nfs/dbraw/zinc/46/70/88/493467088.db2.gz SGWZOEQMGKPLFU-PBHICJAKSA-N 2 0 350.463 0.885 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000685305265 493473668 /nfs/dbraw/zinc/47/36/68/493473668.db2.gz SWZBRNLYSLEHDJ-PBHICJAKSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000685305273 493473826 /nfs/dbraw/zinc/47/38/26/493473826.db2.gz SWZBRNLYSLEHDJ-YOEHRIQHSA-N 2 0 350.507 0.918 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000661988720 493481125 /nfs/dbraw/zinc/48/11/25/493481125.db2.gz ZOJCDASDFAQMFZ-KRWDZBQOSA-N 2 0 368.522 0.992 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252447 493483260 /nfs/dbraw/zinc/48/32/60/493483260.db2.gz LMJXWXBMGUSFEE-HOTGVXAUSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000669285562 493489606 /nfs/dbraw/zinc/48/96/06/493489606.db2.gz BRULUOXSCNFGFJ-KRWDZBQOSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(CNC1(CO)CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662286527 493502753 /nfs/dbraw/zinc/50/27/53/493502753.db2.gz JMGHWZDPGUKFJE-UHFFFAOYSA-N 2 0 360.502 0.603 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000669426356 493502934 /nfs/dbraw/zinc/50/29/34/493502934.db2.gz WKJZNWYFYMBYNV-RHSMWYFYSA-N 2 0 350.463 0.885 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000669452516 493504206 /nfs/dbraw/zinc/50/42/06/493504206.db2.gz HIMLSUWOSIXXDL-KRWDZBQOSA-N 2 0 361.490 0.919 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669444089 493504315 /nfs/dbraw/zinc/50/43/15/493504315.db2.gz YOIJXFYDSFVNSS-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294459 493504359 /nfs/dbraw/zinc/50/43/59/493504359.db2.gz WITZTXSGBGEKBA-MAUKXSAKSA-N 2 0 350.507 0.777 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000669486293 493506480 /nfs/dbraw/zinc/50/64/80/493506480.db2.gz SXALZXAHDGFCPU-YVSFHVDLSA-N 2 0 356.511 0.881 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000669486555 493506966 /nfs/dbraw/zinc/50/69/66/493506966.db2.gz YOIRNYNBEUTNPE-KZNAEPCWSA-N 2 0 367.538 0.457 20 0 FCADRP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337599 493507393 /nfs/dbraw/zinc/50/73/93/493507393.db2.gz LUOQFZRUUKUXTM-SJORKVTESA-N 2 0 362.522 0.719 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000669529832 493508792 /nfs/dbraw/zinc/50/87/92/493508792.db2.gz FSKVQKVBSXPUPX-ZIAGYGMSSA-N 2 0 365.444 0.996 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669530223 493509072 /nfs/dbraw/zinc/50/90/72/493509072.db2.gz XAHYXULQOQGIGD-SJORKVTESA-N 2 0 365.522 0.714 20 0 FCADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662402141 493513038 /nfs/dbraw/zinc/51/30/38/493513038.db2.gz YBTFNPQTQSZLLL-ZDUSSCGKSA-N 2 0 362.499 0.678 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000662423732 493514820 /nfs/dbraw/zinc/51/48/20/493514820.db2.gz QIJHTZQNCZAEOG-UHFFFAOYSA-N 2 0 372.473 0.887 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nn1 ZINC000662446743 493516164 /nfs/dbraw/zinc/51/61/64/493516164.db2.gz PEWJVOKAVZJJNR-UHFFFAOYSA-N 2 0 358.446 0.124 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662451429 493516766 /nfs/dbraw/zinc/51/67/66/493516766.db2.gz AMVHXHVGIODADK-UHFFFAOYSA-N 2 0 364.494 0.822 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000662472590 493519278 /nfs/dbraw/zinc/51/92/78/493519278.db2.gz BGALILMACAECNV-DLBZAZTESA-N 2 0 350.507 0.955 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662659325 493530417 /nfs/dbraw/zinc/53/04/17/493530417.db2.gz SBKFJMHMMNBDCB-QZTJIDSGSA-N 2 0 358.486 0.630 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662759470 493539941 /nfs/dbraw/zinc/53/99/41/493539941.db2.gz XNMJWLJAZRKGGS-RTBURBONSA-N 2 0 360.502 0.987 20 0 FCADRP [NH3+]C1(CNC(=O)c2nc3ncccn3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000662816792 493544897 /nfs/dbraw/zinc/54/48/97/493544897.db2.gz PDWBMPCHIVGTPO-UHFFFAOYSA-N 2 0 365.441 0.848 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000662930384 493555415 /nfs/dbraw/zinc/55/54/15/493555415.db2.gz PMZDFMYCMOUZNG-UHFFFAOYSA-N 2 0 352.454 0.912 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662931025 493555897 /nfs/dbraw/zinc/55/58/97/493555897.db2.gz ZFOXGXHBULYUOC-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662938840 493556970 /nfs/dbraw/zinc/55/69/70/493556970.db2.gz YBVMGBROCIUMHB-QDIHITRGSA-N 2 0 354.470 0.607 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000662941408 493557686 /nfs/dbraw/zinc/55/76/86/493557686.db2.gz PEPGTTUTJICSDH-UHFFFAOYSA-N 2 0 354.495 0.145 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946841 493558953 /nfs/dbraw/zinc/55/89/53/493558953.db2.gz DEENMCNPEMHWPG-MOPGFXCFSA-N 2 0 372.513 0.972 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000662947995 493559506 /nfs/dbraw/zinc/55/95/06/493559506.db2.gz DVPZSCFAKXZUNA-QZTJIDSGSA-N 2 0 358.486 0.712 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662951081 493559806 /nfs/dbraw/zinc/55/98/06/493559806.db2.gz HYERNXVLSGPFEV-RBUKOAKNSA-N 2 0 372.513 0.830 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000662951547 493559985 /nfs/dbraw/zinc/55/99/85/493559985.db2.gz LSNDDAHCRGJTJE-NQIIRXRSSA-N 2 0 372.513 0.959 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000662953549 493560097 /nfs/dbraw/zinc/56/00/97/493560097.db2.gz KHAKSASESKBNSK-MSOLQXFVSA-N 2 0 358.486 0.569 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662950530 493560109 /nfs/dbraw/zinc/56/01/09/493560109.db2.gz MRBNFLBHGRIRFM-NEWSRXKRSA-N 2 0 372.513 0.958 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000662984440 493563800 /nfs/dbraw/zinc/56/38/00/493563800.db2.gz RHKPULKWWDJEDY-PVAVHDDUSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC000662985528 493564417 /nfs/dbraw/zinc/56/44/17/493564417.db2.gz WVDYXDNHBLIEEC-WBVHZDCISA-N 2 0 366.506 0.143 20 0 FCADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016836 493566644 /nfs/dbraw/zinc/56/66/44/493566644.db2.gz GHLIODCZUGSYMJ-CVEARBPZSA-N 2 0 372.517 0.915 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670471596 493570565 /nfs/dbraw/zinc/57/05/65/493570565.db2.gz UOEKMOAKQZIHNU-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000670503929 493575661 /nfs/dbraw/zinc/57/56/61/493575661.db2.gz KSRQYWPPMIPLAF-UHFFFAOYSA-N 2 0 361.490 0.965 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000676997446 493581357 /nfs/dbraw/zinc/58/13/57/493581357.db2.gz YGXLPNSVAWDFDJ-SFHVURJKSA-N 2 0 366.462 0.124 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000670709367 493589619 /nfs/dbraw/zinc/58/96/19/493589619.db2.gz OTKDYOHWUTXAEA-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479684 493591440 /nfs/dbraw/zinc/59/14/40/493591440.db2.gz JTIYGVZADOMUOF-QZTJIDSGSA-N 2 0 368.522 0.584 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000663678576 493611747 /nfs/dbraw/zinc/61/17/47/493611747.db2.gz QDYYQUIRQVNPAB-UHFFFAOYSA-N 2 0 363.506 0.910 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1O ZINC000663700731 493613088 /nfs/dbraw/zinc/61/30/88/493613088.db2.gz ZGICKXRRSLWEPK-GJZGRUSLSA-N 2 0 356.536 0.664 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000677740142 493614497 /nfs/dbraw/zinc/61/44/97/493614497.db2.gz VQVGICYKSLGWCO-BRSBDYLESA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2CN(C)CCO2)cn1)[C@@H]1CN(C)CCO1 ZINC000663730424 493615438 /nfs/dbraw/zinc/61/54/38/493615438.db2.gz PXVKKGHAGFAKND-SYMSYNOKSA-N 2 0 364.494 0.739 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000670997129 493621950 /nfs/dbraw/zinc/62/19/50/493621950.db2.gz BYXRFYBOWWXKDV-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962136 493627153 /nfs/dbraw/zinc/62/71/53/493627153.db2.gz KUTCGMPWADLUNP-FGTMMUONSA-N 2 0 367.538 0.517 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962138 493627217 /nfs/dbraw/zinc/62/72/17/493627217.db2.gz KUTCGMPWADLUNP-SQNIBIBYSA-N 2 0 367.538 0.517 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981209 493628661 /nfs/dbraw/zinc/62/86/61/493628661.db2.gz ZLJJLYCSBWHWPB-FHWLQOOXSA-N 2 0 360.502 0.867 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000671170707 493645090 /nfs/dbraw/zinc/64/50/90/493645090.db2.gz FILMEWNNNGAACX-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000664394780 493657310 /nfs/dbraw/zinc/65/73/10/493657310.db2.gz CXUNDQFHKGUBHE-INIZCTEOSA-N 2 0 355.527 0.626 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671365589 493660619 /nfs/dbraw/zinc/66/06/19/493660619.db2.gz AMEFNEKZNSCOLY-CVEARBPZSA-N 2 0 367.538 0.118 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671376309 493662073 /nfs/dbraw/zinc/66/20/73/493662073.db2.gz GAKZRVLYIMAUGG-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000679723288 493693044 /nfs/dbraw/zinc/69/30/44/493693044.db2.gz LRYQGRDRRQPMEP-INIZCTEOSA-N 2 0 350.463 0.863 20 0 FCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236405 493706303 /nfs/dbraw/zinc/70/63/03/493706303.db2.gz LWOYKRWCKRMBQG-DRZSPHRISA-N 2 0 371.279 0.916 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672011553 493724441 /nfs/dbraw/zinc/72/44/41/493724441.db2.gz JXPRYMMCWRTKIQ-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099056 493735522 /nfs/dbraw/zinc/73/55/22/493735522.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 2 0 367.538 0.118 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000672166104 493740108 /nfs/dbraw/zinc/74/01/08/493740108.db2.gz RZXFQNNBCMXOBZ-PBHICJAKSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000666239013 493763755 /nfs/dbraw/zinc/76/37/55/493763755.db2.gz MUMBWALSGQFJSW-MRXNPFEDSA-N 2 0 350.467 0.508 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C[C@H](C)O1 ZINC000187300601 534466735 /nfs/dbraw/zinc/46/67/35/534466735.db2.gz MATMBKGSJXIWLS-YESZJQIVSA-N 2 0 370.538 0.972 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@H](C)O1 ZINC000187300002 534467360 /nfs/dbraw/zinc/46/73/60/534467360.db2.gz ONPCEVOVIQHBQQ-YESZJQIVSA-N 2 0 370.538 0.972 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000410781336 528248261 /nfs/dbraw/zinc/24/82/61/528248261.db2.gz BUOOADPRRIZGNB-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410811631 528433921 /nfs/dbraw/zinc/43/39/21/528433921.db2.gz RWKGSINBYPZXEX-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413213381 528456580 /nfs/dbraw/zinc/45/65/80/528456580.db2.gz ZXSGVYTWEDBFCV-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031258 529057820 /nfs/dbraw/zinc/05/78/20/529057820.db2.gz SLFXIRNNIXEDIX-APWZRJJASA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795831 529071267 /nfs/dbraw/zinc/07/12/67/529071267.db2.gz SOHBIMPCQQNSLQ-OWCLPIDISA-N 2 0 354.495 0.996 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419538517 536543060 /nfs/dbraw/zinc/54/30/60/536543060.db2.gz OZNWWSYYZCBMOC-GDBMZVCRSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419375637 534993537 /nfs/dbraw/zinc/99/35/37/534993537.db2.gz RSRVMJWVSPRQAN-SJORKVTESA-N 2 0 368.522 0.435 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419698581 535071904 /nfs/dbraw/zinc/07/19/04/535071904.db2.gz PVONFDVJTRUNSV-OAGGEKHMSA-N 2 0 368.522 0.842 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000416963441 535106735 /nfs/dbraw/zinc/10/67/35/535106735.db2.gz UWTPOKFIDTYYTP-DLBZAZTESA-N 2 0 356.511 0.801 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140567 535115810 /nfs/dbraw/zinc/11/58/10/535115810.db2.gz SNAQWLKCVYPUNW-CABCVRRESA-N 2 0 350.467 0.289 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423664142 535186927 /nfs/dbraw/zinc/18/69/27/535186927.db2.gz OURWXMSCYFXBOV-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000415351456 535204594 /nfs/dbraw/zinc/20/45/94/535204594.db2.gz IBHJPTUTOOCDEV-HNNXBMFYSA-N 2 0 359.474 0.715 20 0 FCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419184076 535281792 /nfs/dbraw/zinc/28/17/92/535281792.db2.gz FNEJSKLZNCHJJA-UHFFFAOYSA-N 2 0 358.486 0.870 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419771664 535297006 /nfs/dbraw/zinc/29/70/06/535297006.db2.gz YHJYJLHRHBSEBJ-DOTOQJQBSA-N 2 0 364.465 0.927 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419577972 535478018 /nfs/dbraw/zinc/47/80/18/535478018.db2.gz DLMBMYUJZHBJHT-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000415179731 535479317 /nfs/dbraw/zinc/47/93/17/535479317.db2.gz DULWJSNSIYMQEN-HNNXBMFYSA-N 2 0 362.474 0.650 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423658824 535542173 /nfs/dbraw/zinc/54/21/73/535542173.db2.gz YCEGMNLAVKKMIH-HOTGVXAUSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423433390 535549819 /nfs/dbraw/zinc/54/98/19/535549819.db2.gz CHMWDGCQXKEDBF-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860235 535594601 /nfs/dbraw/zinc/59/46/01/535594601.db2.gz KRCWEYSHQZYXNF-ZWKOTPCHSA-N 2 0 373.501 0.748 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846085 535596657 /nfs/dbraw/zinc/59/66/57/535596657.db2.gz RALJRHKPVJASSG-MSOLQXFVSA-N 2 0 373.501 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896496 535597194 /nfs/dbraw/zinc/59/71/94/535597194.db2.gz XSKWGIPFJRAQOW-SJORKVTESA-N 2 0 359.474 0.373 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000419369528 535651964 /nfs/dbraw/zinc/65/19/64/535651964.db2.gz HUUKZFOTIADYBR-CABCVRRESA-N 2 0 368.503 0.352 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423436283 535715479 /nfs/dbraw/zinc/71/54/79/535715479.db2.gz SIVXWLJQYDBGNL-DLBZAZTESA-N 2 0 364.465 0.879 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453739756 535894445 /nfs/dbraw/zinc/89/44/45/535894445.db2.gz GKMSKMGHRAAVPK-QGZVFWFLSA-N 2 0 362.474 0.868 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419773071 535895365 /nfs/dbraw/zinc/89/53/65/535895365.db2.gz IPLJRQJGWYHMCE-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000419663814 535902565 /nfs/dbraw/zinc/90/25/65/535902565.db2.gz QUSWIPTWAOTGML-MRXNPFEDSA-N 2 0 362.474 0.235 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419224527 535904427 /nfs/dbraw/zinc/90/44/27/535904427.db2.gz ZRHIJXKACJUMDJ-WBVHZDCISA-N 2 0 360.458 0.064 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000415322406 535906642 /nfs/dbraw/zinc/90/66/42/535906642.db2.gz ZEUJHWIQDNGNBB-CYBMUJFWSA-N 2 0 352.410 0.573 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423574682 535960452 /nfs/dbraw/zinc/96/04/52/535960452.db2.gz XKZVPPHLTFNKFI-UKPHBRMFSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582084 536141325 /nfs/dbraw/zinc/14/13/25/536141325.db2.gz JXUUNWFVRONQHM-QAPCUYQASA-N 2 0 368.547 0.531 20 0 FCADRP C[NH+]1CCC(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417505014 536337937 /nfs/dbraw/zinc/33/79/37/536337937.db2.gz OBZVKIHZPZWLPR-CQSZACIVSA-N 2 0 365.444 0.854 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423368843 536355006 /nfs/dbraw/zinc/35/50/06/536355006.db2.gz NRLSZZJYPASEIY-CQSZACIVSA-N 2 0 352.504 0.849 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419176166 536368633 /nfs/dbraw/zinc/36/86/33/536368633.db2.gz YWBNVPCACRJQFU-ZWKOTPCHSA-N 2 0 358.486 0.488 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423311911 536433065 /nfs/dbraw/zinc/43/30/65/536433065.db2.gz UQGNXRLXMBYBCM-GBESFXJTSA-N 2 0 370.497 0.645 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000419843773 536460634 /nfs/dbraw/zinc/46/06/34/536460634.db2.gz BGCXWGUEILDNRM-SJORKVTESA-N 2 0 359.474 0.230 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000414828847 536469767 /nfs/dbraw/zinc/46/97/67/536469767.db2.gz LFSPWXGBWBQHEJ-QGZVFWFLSA-N 2 0 374.485 0.915 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@H](C[NH3+])C1 ZINC000423671758 536652055 /nfs/dbraw/zinc/65/20/55/536652055.db2.gz NMRFHUIMGPJFGA-JKSUJKDBSA-N 2 0 356.511 0.528 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423721120 536775613 /nfs/dbraw/zinc/77/56/13/536775613.db2.gz ONZCZOVUTCHGAP-HNNXBMFYSA-N 2 0 356.511 0.389 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)c1 ZINC000419949398 537114149 /nfs/dbraw/zinc/11/41/49/537114149.db2.gz HDDWGPSJJYFMEJ-CQSZACIVSA-N 2 0 363.462 0.228 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164656 546549304 /nfs/dbraw/zinc/54/93/04/546549304.db2.gz GYTRSGLOEZRHNQ-HOTGVXAUSA-N 2 0 367.519 0.790 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000174715096 546902634 /nfs/dbraw/zinc/90/26/34/546902634.db2.gz JPWIOQHDOQPLEM-UHFFFAOYSA-N 2 0 351.495 0.420 20 0 FCADRP CC[C@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCN1CCOC ZINC000433405210 546922136 /nfs/dbraw/zinc/92/21/36/546922136.db2.gz DFWFLSFVTJBBJL-GJZGRUSLSA-N 2 0 350.467 0.385 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000545176124 547030783 /nfs/dbraw/zinc/03/07/83/547030783.db2.gz JOHXOHKSCSSJCE-GOSISDBHSA-N 2 0 354.495 0.387 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940995 547075810 /nfs/dbraw/zinc/07/58/10/547075810.db2.gz RFRLFXVNHYAUCX-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000549966120 547075818 /nfs/dbraw/zinc/07/58/18/547075818.db2.gz YJFAZQUYSAIYOB-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000550096657 547077100 /nfs/dbraw/zinc/07/71/00/547077100.db2.gz KYMPOAXWDQELHU-INIZCTEOSA-N 2 0 356.511 0.258 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000550097057 547077863 /nfs/dbraw/zinc/07/78/63/547077863.db2.gz RZJTYIHJAQVXQY-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000550372869 547083668 /nfs/dbraw/zinc/08/36/68/547083668.db2.gz VUOQUIASKSDBBA-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502468 547089673 /nfs/dbraw/zinc/08/96/73/547089673.db2.gz PCACTTPMZFIIDD-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502467 547089682 /nfs/dbraw/zinc/08/96/82/547089682.db2.gz PCACTTPMZFIIDD-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550658346 547094643 /nfs/dbraw/zinc/09/46/43/547094643.db2.gz JWADJXPBASADIM-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550834450 547110496 /nfs/dbraw/zinc/11/04/96/547110496.db2.gz JODYEGKGLGEKNV-QGZVFWFLSA-N 2 0 358.552 0.586 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000550840958 547110895 /nfs/dbraw/zinc/11/08/95/547110895.db2.gz XXBKAQOWWKWLKW-VKJFTORMSA-N 2 0 370.563 0.871 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000550903529 547113892 /nfs/dbraw/zinc/11/38/92/547113892.db2.gz ZKFBYSYYEIDLNU-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550903011 547113910 /nfs/dbraw/zinc/11/39/10/547113910.db2.gz PSSRRPKAKGQJEL-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903875 547114442 /nfs/dbraw/zinc/11/44/42/547114442.db2.gz LARHLENHJVOUFE-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000551213349 547134090 /nfs/dbraw/zinc/13/40/90/547134090.db2.gz OGCKWNQZRKAKLA-GOSISDBHSA-N 2 0 370.563 0.730 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551217971 547135362 /nfs/dbraw/zinc/13/53/62/547135362.db2.gz ZSNXHMGDHVUYPJ-RKVPGOIHSA-N 2 0 370.563 0.777 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278637 547138766 /nfs/dbraw/zinc/13/87/66/547138766.db2.gz SUNCQULNCJQMLE-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284154 547139788 /nfs/dbraw/zinc/13/97/88/547139788.db2.gz JAADTIPLDMGDFX-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(C)CCN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000552686268 547223399 /nfs/dbraw/zinc/22/33/99/547223399.db2.gz GNEOHJGTYCFHTN-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000553037942 547248941 /nfs/dbraw/zinc/24/89/41/547248941.db2.gz MLGIRJBDMDFTPW-ZBFHGGJFSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000553394429 547274980 /nfs/dbraw/zinc/27/49/80/547274980.db2.gz OVULHAYNLXWCNG-XHSDSOJGSA-N 2 0 354.495 0.060 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553699623 547300370 /nfs/dbraw/zinc/30/03/70/547300370.db2.gz BBJBFGVXRWNMAC-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734448 547304081 /nfs/dbraw/zinc/30/40/81/547304081.db2.gz ZHRRKPNZFCOPCD-HUUCEWRRSA-N 2 0 356.511 0.306 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](C[C@H](C)O)CC3)C2)CC[N@@H+]1C ZINC000949098778 674394261 /nfs/dbraw/zinc/39/42/61/674394261.db2.gz DPZVZVITPRYYGD-YESZJQIVSA-N 2 0 353.507 0.791 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736767452 599022439 /nfs/dbraw/zinc/02/24/39/599022439.db2.gz QESRUXWCHPVAIK-UHFFFAOYSA-N 2 0 360.466 0.502 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736573528 598463345 /nfs/dbraw/zinc/46/33/45/598463345.db2.gz ZKUJMDPFONFRBS-HNNXBMFYSA-N 2 0 372.477 0.750 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000736767328 598627204 /nfs/dbraw/zinc/62/72/04/598627204.db2.gz OTIYAOJUESDBIQ-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737837466 598761368 /nfs/dbraw/zinc/76/13/68/598761368.db2.gz HJBKHYIWEIQJMH-PHIMTYICSA-N 2 0 373.486 0.897 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000950986764 674445503 /nfs/dbraw/zinc/44/55/03/674445503.db2.gz GRXMWKOQUWYRRV-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CC1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000825859083 607539059 /nfs/dbraw/zinc/53/90/59/607539059.db2.gz CKDARSVYCZYLOC-ROKHWSDSSA-N 2 0 359.482 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000954415809 674497070 /nfs/dbraw/zinc/49/70/70/674497070.db2.gz FJAPCQQCNCBBBC-BBWFWOEESA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000954704715 674503585 /nfs/dbraw/zinc/50/35/85/674503585.db2.gz DBOLHASIYSEUGF-BBWFWOEESA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000956036230 674516704 /nfs/dbraw/zinc/51/67/04/674516704.db2.gz UBDJQLWQZXQRSV-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729496803 665719381 /nfs/dbraw/zinc/71/93/81/665719381.db2.gz KJNVXORUGKLPFI-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000989393877 665745378 /nfs/dbraw/zinc/74/53/78/665745378.db2.gz DYMNNBOSVDTGOF-BQJWPVKWSA-N 2 0 350.507 0.917 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778907 665772291 /nfs/dbraw/zinc/77/22/91/665772291.db2.gz JBXOVKYSYDAKDJ-LSDHHAIUSA-N 2 0 354.495 0.155 20 0 FCADRP CO[C@@H]1CCOC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000898088360 665797575 /nfs/dbraw/zinc/79/75/75/665797575.db2.gz DOOCKKFZQQENOT-BRWVUGGUSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](CCCO)C1 ZINC000969687397 663188992 /nfs/dbraw/zinc/18/89/92/663188992.db2.gz NRLONHZIVJQHPU-QGTPRVQTSA-N 2 0 353.507 0.552 20 0 FCADRP COCCC1(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000891339845 663352020 /nfs/dbraw/zinc/35/20/20/663352020.db2.gz GHPQEXDLLZQUBL-UHFFFAOYSA-N 2 0 355.527 0.470 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001022103077 663405173 /nfs/dbraw/zinc/40/51/73/663405173.db2.gz DSDAVPWECCQSSA-OVYGPGRDSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001022109302 663405837 /nfs/dbraw/zinc/40/58/37/663405837.db2.gz KVTVXNNEDCNGFW-VVLHAWIVSA-N 2 0 371.547 0.778 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000891514157 663410738 /nfs/dbraw/zinc/41/07/38/663410738.db2.gz MQYPKTALYJZRIR-RYUDHWBXSA-N 2 0 351.476 0.533 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000891513440 663410899 /nfs/dbraw/zinc/41/08/99/663410899.db2.gz CDFUWXLURDNTSD-MYPMTAMASA-N 2 0 351.451 0.046 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891563453 663415681 /nfs/dbraw/zinc/41/56/81/663415681.db2.gz GYTVHWLSDBRNSR-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000891598602 663417874 /nfs/dbraw/zinc/41/78/74/663417874.db2.gz VSGNFIWOWNZVTR-QGZVFWFLSA-N 2 0 355.527 0.232 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)C[C@@H](C)O1 ZINC000891730792 663431524 /nfs/dbraw/zinc/43/15/24/663431524.db2.gz ZMBCODKKTKIJMN-IAGOWNOFSA-N 2 0 355.527 0.375 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022423731 663447294 /nfs/dbraw/zinc/44/72/94/663447294.db2.gz IMIBDUWOPQEICU-VVLHAWIVSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891992723 663464999 /nfs/dbraw/zinc/46/49/99/663464999.db2.gz JPZGPVRQAJKESQ-KRWDZBQOSA-N 2 0 355.527 0.470 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892263204 663508118 /nfs/dbraw/zinc/50/81/18/663508118.db2.gz LQFBNWZUMFYMCN-SHTZXODSSA-N 2 0 353.511 0.794 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)[NH+](C)C ZINC000972638334 663670161 /nfs/dbraw/zinc/67/01/61/663670161.db2.gz KCAFSVRWSPDARF-OWCLPIDISA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C(=O)NCC[NH+](C)C ZINC000892445523 663912970 /nfs/dbraw/zinc/91/29/70/663912970.db2.gz SBZOMGBMNPLTJQ-JYJNAYRXSA-N 2 0 355.527 0.896 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccnc(N3CCSCC3)c2)CCO1 ZINC000892514157 663996895 /nfs/dbraw/zinc/99/68/95/663996895.db2.gz XDHIMGXFQUMONT-UKRRQHHQSA-N 2 0 365.503 0.892 20 0 FCADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892533018 664020953 /nfs/dbraw/zinc/02/09/53/664020953.db2.gz WDJAYZNGMYFDLD-GOEBONIOSA-N 2 0 352.504 0.746 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935799775 664050564 /nfs/dbraw/zinc/05/05/64/664050564.db2.gz PQTHFEIGLSTUEH-MRXNPFEDSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973267753 664092119 /nfs/dbraw/zinc/09/21/19/664092119.db2.gz CPLWEYHJMTZEPW-WRQOLXDDSA-N 2 0 350.507 0.963 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892780664 664141464 /nfs/dbraw/zinc/14/14/64/664141464.db2.gz SZGLWWKGYCGMDY-INIZCTEOSA-N 3 0 355.527 0.280 20 0 FCADRP Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)s1 ZINC001026913468 664276822 /nfs/dbraw/zinc/27/68/22/664276822.db2.gz ACLFGZOADWAZGL-KWCYVHTRSA-N 2 0 353.492 0.504 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1)[NH+](C)C ZINC000974817223 664283499 /nfs/dbraw/zinc/28/34/99/664283499.db2.gz LDIPCMJSVGFOQR-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)[NH+](C)C ZINC000975819390 664353763 /nfs/dbraw/zinc/35/37/63/664353763.db2.gz BJUAYQIUIHXSAW-ULQDDVLXSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC000976698217 664395339 /nfs/dbraw/zinc/39/53/39/664395339.db2.gz IJABJEUSWVPPTF-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027417490 664399228 /nfs/dbraw/zinc/39/92/28/664399228.db2.gz ZUNZMMFKTMHWKU-OWCLPIDISA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978990475 664452360 /nfs/dbraw/zinc/45/23/60/664452360.db2.gz UHNWKRNLOXMNCP-UUAJXVIYSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000979857526 664464894 /nfs/dbraw/zinc/46/48/94/664464894.db2.gz ONDWSIAXLPTSRO-WRQOLXDDSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000979992370 664468381 /nfs/dbraw/zinc/46/83/81/664468381.db2.gz IVZKGXHJHFKDJJ-MUIFIZLQSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCCC2=O)CC[N@@H+]1C ZINC001027893072 664472046 /nfs/dbraw/zinc/47/20/46/664472046.db2.gz LZFUZIFHLQWAEG-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001027895497 664472826 /nfs/dbraw/zinc/47/28/26/664472826.db2.gz XAOMWVYQVTWLIK-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP CCn1nncc1CN1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027965370 664479251 /nfs/dbraw/zinc/47/92/51/664479251.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 0 350.467 0.098 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(CC3CCS(=O)(=O)CC3)CC2)CC[N@@H+]1C ZINC000981194614 664817106 /nfs/dbraw/zinc/81/71/06/664817106.db2.gz VJSFHIFBARCNBW-NVXWUHKLSA-N 2 0 371.547 0.686 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N(C)C)C3)CC[N@@H+]1C ZINC000981778340 664839353 /nfs/dbraw/zinc/83/93/53/664839353.db2.gz ILFANDKNDGGASV-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001028549514 664901441 /nfs/dbraw/zinc/90/14/41/664901441.db2.gz ABLDOYGTEJBKPA-MGPQQGTHSA-N 2 0 365.503 0.860 20 0 FCADRP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1(F)F ZINC000894165859 664902655 /nfs/dbraw/zinc/90/26/55/664902655.db2.gz ISKWRWQIKRAQAQ-HIFRSBDPSA-N 2 0 354.401 0.977 20 0 FCADRP C[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000924949673 664942268 /nfs/dbraw/zinc/94/22/68/664942268.db2.gz HCOINQWZUSTWFQ-HZPDHXFCSA-N 2 0 360.568 0.520 20 0 FCADRP C[C@@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000261864177 664942635 /nfs/dbraw/zinc/94/26/35/664942635.db2.gz NMHMFRZIUWWKDA-GXTWGEPZSA-N 2 0 350.429 0.965 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000924993052 664955291 /nfs/dbraw/zinc/95/52/91/664955291.db2.gz NUCAQCACLUIGCT-HOTGVXAUSA-N 2 0 356.511 0.848 20 0 FCADRP CCc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)o1 ZINC000984015383 665013573 /nfs/dbraw/zinc/01/35/73/665013573.db2.gz QASFGBBCRKCFOO-IXYNUQLISA-N 2 0 350.463 0.941 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000728793990 665166027 /nfs/dbraw/zinc/16/60/27/665166027.db2.gz VCZRFGYUFUKDMA-INIZCTEOSA-N 2 0 369.579 0.831 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000985439748 665167421 /nfs/dbraw/zinc/16/74/21/665167421.db2.gz YSQFFIRKDLNDAU-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986486181 665215523 /nfs/dbraw/zinc/21/55/23/665215523.db2.gz QMHBGTUWCQDUKP-YYIAUSFCSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000925272805 665288028 /nfs/dbraw/zinc/28/80/28/665288028.db2.gz AKESNVPCNCJBKF-OAHLLOKOSA-N 2 0 361.552 0.871 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000897480389 665292249 /nfs/dbraw/zinc/29/22/49/665292249.db2.gz YQXNDYVOBCKARN-MRXNPFEDSA-N 2 0 351.495 0.420 20 0 FCADRP CC(C)(C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000907203302 666106790 /nfs/dbraw/zinc/10/67/90/666106790.db2.gz NWRSJLGGTICENX-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000908533496 666210713 /nfs/dbraw/zinc/21/07/13/666210713.db2.gz OLPFUHQPPVGEQT-IAGOWNOFSA-N 2 0 350.507 0.443 20 0 FCADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000912595407 666459719 /nfs/dbraw/zinc/45/97/19/666459719.db2.gz CJIKVOFDCBYGQZ-UHFFFAOYSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938782212 666484596 /nfs/dbraw/zinc/48/45/96/666484596.db2.gz ROLIULOEUXNULJ-DJIMGWMZSA-N 2 0 350.507 0.728 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000913179903 666510225 /nfs/dbraw/zinc/51/02/25/666510225.db2.gz OESUJNUJBKLBKI-ZJPYXAASSA-N 2 0 351.491 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940311528 666546251 /nfs/dbraw/zinc/54/62/51/666546251.db2.gz SKCTYJKKMYTMRT-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000947339276 666598017 /nfs/dbraw/zinc/59/80/17/666598017.db2.gz DFUGNMPMKQUGQL-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC000993073946 666779037 /nfs/dbraw/zinc/77/90/37/666779037.db2.gz UCJKFHDZFDIXMB-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000944076531 666828872 /nfs/dbraw/zinc/82/88/72/666828872.db2.gz XVIIXFBFQGFBNK-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287385 666905372 /nfs/dbraw/zinc/90/53/72/666905372.db2.gz ZOCKHBWULAXGIC-GDBMZVCRSA-N 2 0 352.479 0.750 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993608127 666921086 /nfs/dbraw/zinc/92/10/86/666921086.db2.gz UPWYUSODOGZZOC-QJPTWQEYSA-N 2 0 355.389 0.048 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC000994083901 666965674 /nfs/dbraw/zinc/96/56/74/666965674.db2.gz JGRHVUQXRZJKRR-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1)[NH+](C)C ZINC000994407674 667038628 /nfs/dbraw/zinc/03/86/28/667038628.db2.gz AGECQSBQYFNZJB-QBPKDAKJSA-N 2 0 352.523 0.878 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998060908 667194762 /nfs/dbraw/zinc/19/47/62/667194762.db2.gz XWUUQLYGZKBGFL-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001031685879 667268854 /nfs/dbraw/zinc/26/88/54/667268854.db2.gz GMGFPMXXPFJYAS-HYVNUMGLSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC[NH+](CCCO)CC2)CC1 ZINC001002845288 667569599 /nfs/dbraw/zinc/56/95/99/667569599.db2.gz QCNVUXVTBTYSKM-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001002859918 667572271 /nfs/dbraw/zinc/57/22/71/667572271.db2.gz VBIQJFWIKQKEPW-RRFJBIMHSA-N 2 0 350.463 0.103 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423090864 667602838 /nfs/dbraw/zinc/60/28/38/667602838.db2.gz YOBIQNQKNINYSP-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001033100273 667673698 /nfs/dbraw/zinc/67/36/98/667673698.db2.gz XIBJHKPSXAECGI-OWCLPIDISA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001034647210 667761900 /nfs/dbraw/zinc/76/19/00/667761900.db2.gz AFJDKROGHDVRSN-KJWHEZOQSA-N 2 0 350.463 0.149 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001034647634 667761972 /nfs/dbraw/zinc/76/19/72/667761972.db2.gz OCZLYNIKYHNRJJ-HHARLNAUSA-N 2 0 350.507 0.964 20 0 FCADRP CCn1ncnc1CNC[C@H]1CCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001034971670 667772562 /nfs/dbraw/zinc/77/25/62/667772562.db2.gz TYLBPNYIAFNPCM-RBSFLKMASA-N 2 0 350.467 0.098 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922983430 667797130 /nfs/dbraw/zinc/79/71/30/667797130.db2.gz IQOHKRNRMGYLRV-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378447 667829517 /nfs/dbraw/zinc/82/95/17/667829517.db2.gz CKIXSMWVFRDNOY-ULQDDVLXSA-N 2 0 354.495 0.383 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC000946907472 667840552 /nfs/dbraw/zinc/84/05/52/667840552.db2.gz CJMYMSQVUBAXPQ-ZMSDIMECSA-N 2 0 350.507 0.918 20 0 FCADRP O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH2+]CC1 ZINC000923601994 667872608 /nfs/dbraw/zinc/87/26/08/667872608.db2.gz BSBXUDWXNFWXOX-CQSZACIVSA-N 2 0 358.533 0.700 20 0 FCADRP C[C@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763298272 667948988 /nfs/dbraw/zinc/94/89/88/667948988.db2.gz CEQSDDAVJBPIEC-RDJZCZTQSA-N 2 0 353.580 0.913 20 0 FCADRP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000793992517 668919332 /nfs/dbraw/zinc/91/93/32/668919332.db2.gz LLDISUFKXGVNHD-UHFFFAOYSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000819288324 668994834 /nfs/dbraw/zinc/99/48/34/668994834.db2.gz XOGUATBPMSDJNE-GOSISDBHSA-N 2 0 358.527 0.878 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819390867 669001051 /nfs/dbraw/zinc/00/10/51/669001051.db2.gz URCCKCXJZDWOHD-GOSISDBHSA-N 2 0 358.527 0.878 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819389141 669001182 /nfs/dbraw/zinc/00/11/82/669001182.db2.gz JMBUZVQTMIJSNS-SFHVURJKSA-N 2 0 369.531 0.739 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799113736 669282036 /nfs/dbraw/zinc/28/20/36/669282036.db2.gz KRKPOKFSTJEYBD-HNNXBMFYSA-N 2 0 352.479 0.352 20 0 FCADRP C[NH+](C)CCCNS(=O)(=O)c1cccc(-c2noc([C@@H]3C[C@@H]3[NH3+])n2)c1 ZINC000822938056 669307950 /nfs/dbraw/zinc/30/79/50/669307950.db2.gz UEWONOFBENPBJK-KGLIPLIRSA-N 2 0 365.459 0.781 20 0 FCADRP Cc1cc(Cl)nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000807560725 669500283 /nfs/dbraw/zinc/50/02/83/669500283.db2.gz WGVFDLDQTNFQTP-UHFFFAOYSA-N 2 0 369.897 0.611 20 0 FCADRP CN(CCC[N@H+](C)CC(=O)N1CCC2(CC1)OCCO2)CC[NH+](C)C ZINC000808781466 669586149 /nfs/dbraw/zinc/58/61/49/669586149.db2.gz HRKOZQBTPCIYLI-UHFFFAOYSA-N 2 0 356.511 0.167 20 0 FCADRP CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000830768209 669804510 /nfs/dbraw/zinc/80/45/10/669804510.db2.gz ZSXQRYXTBAIPOI-INIZCTEOSA-N 2 0 370.519 0.159 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000964547296 675068146 /nfs/dbraw/zinc/06/81/46/675068146.db2.gz NOTPDHMUFYIRTP-QBPKDAKJSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000964939248 675077203 /nfs/dbraw/zinc/07/72/03/675077203.db2.gz CIJIIFJQVPVOHW-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCNC(=S)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000840852911 670522754 /nfs/dbraw/zinc/52/27/54/670522754.db2.gz NLASLKXGAOVEDZ-UHFFFAOYSA-N 2 0 357.568 0.199 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000965979553 675116698 /nfs/dbraw/zinc/11/66/98/675116698.db2.gz AGBSVWCRCPDJEB-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCCCC1 ZINC000841727110 670606953 /nfs/dbraw/zinc/60/69/53/670606953.db2.gz XHPPCCOPWBZNNE-UONOGXRCSA-N 2 0 365.444 0.996 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841855399 670615722 /nfs/dbraw/zinc/61/57/22/670615722.db2.gz NZQUTWQGCRIGTD-UHFFFAOYSA-N 2 0 351.495 0.515 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843364053 670806833 /nfs/dbraw/zinc/80/68/33/670806833.db2.gz MVEONCZBBHZUKJ-UHFFFAOYSA-N 2 0 352.460 0.348 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363834 670807127 /nfs/dbraw/zinc/80/71/27/670807127.db2.gz CVMLKEBGGLULED-ZDUSSCGKSA-N 2 0 366.487 0.737 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362935 670807753 /nfs/dbraw/zinc/80/77/53/670807753.db2.gz VIUDKVBIKSIWMR-STQMWFEESA-N 2 0 351.451 0.332 20 0 FCADRP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843364793 670808515 /nfs/dbraw/zinc/80/85/15/670808515.db2.gz SUOXNAMJQRIGMO-UHFFFAOYSA-N 2 0 352.479 0.799 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364947 670808551 /nfs/dbraw/zinc/80/85/51/670808551.db2.gz WZKPHDGTSUUJIV-QWHCGFSZSA-N 2 0 351.451 0.332 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000843385851 670810670 /nfs/dbraw/zinc/81/06/70/670810670.db2.gz YXKDDJDRVOGRCK-INIZCTEOSA-N 2 0 352.479 0.609 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844171227 670903945 /nfs/dbraw/zinc/90/39/45/670903945.db2.gz NFZSEJNOEPIKLJ-HOTGVXAUSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844171224 670904008 /nfs/dbraw/zinc/90/40/08/670904008.db2.gz NFZSEJNOEPIKLJ-CVEARBPZSA-N 2 0 352.479 0.004 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000845946380 671055405 /nfs/dbraw/zinc/05/54/05/671055405.db2.gz KMCOQYBOEQTPIL-DYVFJYSZSA-N 2 0 358.483 0.014 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000846218896 671091370 /nfs/dbraw/zinc/09/13/70/671091370.db2.gz XUWAZWRYVQVSJP-IYBDPMFKSA-N 2 0 362.540 0.477 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NCCCN(C)CC[NH+](C)C)CC1 ZINC000849082142 671317074 /nfs/dbraw/zinc/31/70/74/671317074.db2.gz WRTXMDXLIDHUSV-UHFFFAOYSA-N 2 0 356.515 0.605 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829532 675899360 /nfs/dbraw/zinc/89/93/60/675899360.db2.gz RWXVNWAIOZCFQZ-OVYGPGRDSA-N 2 0 369.531 0.152 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000852746080 671523294 /nfs/dbraw/zinc/52/32/94/671523294.db2.gz DNBQXFBGTPDWGZ-JONQDZQNSA-N 2 0 352.479 0.735 20 0 FCADRP C[C@@H](C(=O)NC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511477 675935986 /nfs/dbraw/zinc/93/59/86/675935986.db2.gz VFFOVGIQILTARJ-DZJNRPSUSA-N 2 0 350.507 0.571 20 0 FCADRP CCS(=O)(=O)N(C)C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903729420 675964531 /nfs/dbraw/zinc/96/45/31/675964531.db2.gz MPPFPRDBFVKFKR-MRXNPFEDSA-N 2 0 359.536 0.891 20 0 FCADRP CCN(CC)C(=O)CN1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733098 675964920 /nfs/dbraw/zinc/96/49/20/675964920.db2.gz JQLIACUGTIALHE-MJGOQNOKSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@@H+]1C ZINC001054135101 676000890 /nfs/dbraw/zinc/00/08/90/676000890.db2.gz VBZSPATZEAUCAR-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])cc2F)CC1 ZINC000868248900 672390533 /nfs/dbraw/zinc/39/05/33/672390533.db2.gz GCUROZJQJHFSOB-LBPRGKRZSA-N 2 0 351.426 0.370 20 0 FCADRP CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583554 676025447 /nfs/dbraw/zinc/02/54/47/676025447.db2.gz RZENXZKCSSFAJN-IJEWVQPXSA-N 2 0 354.495 0.058 20 0 FCADRP COCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583423 676025465 /nfs/dbraw/zinc/02/54/65/676025465.db2.gz NAOVHNIUIDYBFG-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000873311317 672714099 /nfs/dbraw/zinc/71/40/99/672714099.db2.gz QODNVAWCOSAFNT-CQSZACIVSA-N 2 0 350.467 0.725 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874456939 672785717 /nfs/dbraw/zinc/78/57/17/672785717.db2.gz POMVLRWNRBOFED-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402677 673012976 /nfs/dbraw/zinc/01/29/76/673012976.db2.gz HWJONLHLLJAFRR-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878230367 673048947 /nfs/dbraw/zinc/04/89/47/673048947.db2.gz JMJXGDOAVQRVRP-QGZVFWFLSA-N 2 0 355.523 0.822 20 0 FCADRP Cc1noc(C)c1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051621709 676106528 /nfs/dbraw/zinc/10/65/28/676106528.db2.gz BIBLYAXFHBMITC-VNQPRFMTSA-N 2 0 350.463 0.949 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879568922 673128061 /nfs/dbraw/zinc/12/80/61/673128061.db2.gz FWUUFROTWQJZND-KURKYZTESA-N 2 0 352.523 0.485 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3snnc3C)C2)CC[N@@H+]1C ZINC001051625412 676107131 /nfs/dbraw/zinc/10/71/31/676107131.db2.gz ZWGIGSUJQYPUEY-SOUVJXGZSA-N 2 0 367.519 0.894 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000880129470 673174640 /nfs/dbraw/zinc/17/46/40/673174640.db2.gz JOLSJESDQSAUMT-SQNIBIBYSA-N 2 0 352.523 0.628 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCOC)CC3)C2)CC[N@@H+]1C ZINC001052030998 676113126 /nfs/dbraw/zinc/11/31/26/676113126.db2.gz AWLLSNLUDYSKIJ-FGTMMUONSA-N 2 0 352.523 0.582 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000882493450 673315677 /nfs/dbraw/zinc/31/56/77/673315677.db2.gz HRNRASFTRSIOBU-WNKDZCFJSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436599 673375535 /nfs/dbraw/zinc/37/55/35/673375535.db2.gz XCMQAIWEUPHEGV-IRXDYDNUSA-N 2 0 354.495 0.650 20 0 FCADRP CNS(=O)(=O)c1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000883447918 673376133 /nfs/dbraw/zinc/37/61/33/673376133.db2.gz OYHBCWGYXFSOTL-OAHLLOKOSA-N 2 0 352.504 0.716 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001006347766 673399185 /nfs/dbraw/zinc/39/91/85/673399185.db2.gz YLCZPEHIPZLYSB-JJRVBVJISA-N 2 0 350.507 0.632 20 0 FCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000884287618 673444309 /nfs/dbraw/zinc/44/43/09/673444309.db2.gz HNNNSQFSHNVZOL-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H](CC(C)C)[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000884305652 673445327 /nfs/dbraw/zinc/44/53/27/673445327.db2.gz CDPGUNYHSALSJQ-CVEARBPZSA-N 2 0 361.552 0.978 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884490841 673456863 /nfs/dbraw/zinc/45/68/63/673456863.db2.gz IDFXYMNPMGHSLJ-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504056 673457695 /nfs/dbraw/zinc/45/76/95/673457695.db2.gz ZVHSSGNVPITMLO-UONOGXRCSA-N 2 0 360.449 0.584 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884546177 673460996 /nfs/dbraw/zinc/46/09/96/673460996.db2.gz CHTAKOHGAUBXBP-NEPJUHHUSA-N 2 0 352.401 0.430 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000884553539 673461554 /nfs/dbraw/zinc/46/15/54/673461554.db2.gz ALAWXTXXCYMDRH-HNCHTBHHSA-N 2 0 362.396 0.323 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000884559152 673462275 /nfs/dbraw/zinc/46/22/75/673462275.db2.gz NJVDAFPPKQVWRH-BRWVUGGUSA-N 2 0 352.523 0.912 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884576440 673463187 /nfs/dbraw/zinc/46/31/87/673463187.db2.gz HQECXTQQWFBQLS-CHWSQXEVSA-N 2 0 364.412 0.430 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884601053 673465111 /nfs/dbraw/zinc/46/51/11/673465111.db2.gz AGZGLKWHVKVPDY-XMGYEWCTSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC000884601693 673465155 /nfs/dbraw/zinc/46/51/55/673465155.db2.gz SPMGCQJOAQWHSM-PWSUYJOCSA-N 2 0 350.385 0.183 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884603195 673465158 /nfs/dbraw/zinc/46/51/58/673465158.db2.gz DMXMYCBOHWLJOY-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CCSC1 ZINC000884612296 673465885 /nfs/dbraw/zinc/46/58/85/673465885.db2.gz IZQLSDJAMINBIY-QGZVFWFLSA-N 2 0 354.520 0.285 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884631808 673468016 /nfs/dbraw/zinc/46/80/16/673468016.db2.gz YKZCFQTUKYHQTR-KXBFYZLASA-N 2 0 350.507 0.810 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC(C)(C)[NH2+]1 ZINC000884652170 673469901 /nfs/dbraw/zinc/46/99/01/673469901.db2.gz LVJUPZWZYQKPNY-LLVKDONJSA-N 2 0 360.449 0.773 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884665482 673470714 /nfs/dbraw/zinc/47/07/14/673470714.db2.gz VXJLBKZZGJZWSY-UTUOFQBUSA-N 2 0 352.401 0.429 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884665110 673470744 /nfs/dbraw/zinc/47/07/44/673470744.db2.gz GOJHVUMCQYIXMA-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000884683266 673472462 /nfs/dbraw/zinc/47/24/62/673472462.db2.gz ALFXNLKMDMFIHT-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000884691288 673474191 /nfs/dbraw/zinc/47/41/91/673474191.db2.gz CNTXODGQJSEJIQ-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000884719786 673476486 /nfs/dbraw/zinc/47/64/86/673476486.db2.gz ZDXTVOPUMIOMEE-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000884728755 673478227 /nfs/dbraw/zinc/47/82/27/673478227.db2.gz ZTQYTBZHLYVLQG-LADRWXRNSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[NH2+]C1 ZINC000884885284 673488880 /nfs/dbraw/zinc/48/88/80/673488880.db2.gz YPQLXTDJCIEAKF-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000884985849 673495935 /nfs/dbraw/zinc/49/59/35/673495935.db2.gz BZAZKJBQGBOZKA-UQDNXTENSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCCCC1 ZINC000885014649 673498157 /nfs/dbraw/zinc/49/81/57/673498157.db2.gz LYVYITJKFIKSPJ-WCXIOVBPSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H](C)C1 ZINC000885015204 673498432 /nfs/dbraw/zinc/49/84/32/673498432.db2.gz VTFRLQBDAKGRGI-OVYGPGRDSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000885275620 673511033 /nfs/dbraw/zinc/51/10/33/673511033.db2.gz GMTMYLCINRYKKK-ZIAGYGMSSA-N 2 0 358.433 0.434 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285570 673512253 /nfs/dbraw/zinc/51/22/53/673512253.db2.gz QXHNSZCTSZMVRF-ZIAGYGMSSA-N 2 0 360.449 0.442 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC[C@@H]21 ZINC000885286350 673512614 /nfs/dbraw/zinc/51/26/14/673512614.db2.gz WOAAXJBOYJCJDH-RDBSUJKOSA-N 2 0 358.433 0.290 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885290087 673512804 /nfs/dbraw/zinc/51/28/04/673512804.db2.gz ALLXVSCBMMJANY-AWEZNQCLSA-N 2 0 362.465 0.928 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000887061180 673617240 /nfs/dbraw/zinc/61/72/40/673617240.db2.gz MTPRFHTZIWGGGB-HUUCEWRRSA-N 2 0 352.479 0.038 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000887061179 673617252 /nfs/dbraw/zinc/61/72/52/673617252.db2.gz MTPRFHTZIWGGGB-GJZGRUSLSA-N 2 0 352.479 0.038 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[NH2+]C1 ZINC000887068083 673618579 /nfs/dbraw/zinc/61/85/79/673618579.db2.gz FJLWEBXTCBMWTE-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000887088009 673621366 /nfs/dbraw/zinc/62/13/66/673621366.db2.gz JKONKHQRVSAYDB-OAHLLOKOSA-N 2 0 352.479 0.040 20 0 FCADRP CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cn(CC3C[NH2+]C3)nn2)CC1 ZINC000887424920 673630446 /nfs/dbraw/zinc/63/04/46/673630446.db2.gz JRSSOVKECXEAOC-UHFFFAOYSA-N 2 0 350.467 0.987 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1N=NC(=O)N1C ZINC000889582953 673680570 /nfs/dbraw/zinc/68/05/70/673680570.db2.gz VETDNGZIRHVKTP-ZDUSSCGKSA-N 2 0 353.471 0.078 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924672472 673760849 /nfs/dbraw/zinc/76/08/49/673760849.db2.gz SZRXHKHNICFKSX-HOTGVXAUSA-N 2 0 360.568 0.662 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927630158 673870882 /nfs/dbraw/zinc/87/08/82/673870882.db2.gz NFQORMBIRPBWIX-GOEBONIOSA-N 2 0 354.495 0.384 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001039132814 675447610 /nfs/dbraw/zinc/44/76/10/675447610.db2.gz OVXITMCWQGXWST-IXDOHACOSA-N 2 0 350.507 0.763 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132190 675447621 /nfs/dbraw/zinc/44/76/21/675447621.db2.gz DRWYZHZBFQMAMK-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC001040708213 675469162 /nfs/dbraw/zinc/46/91/62/675469162.db2.gz RBPDVWABLMKNQM-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000900963672 675735491 /nfs/dbraw/zinc/73/54/91/675735491.db2.gz BSTXRUPIXIHMNW-SFHVURJKSA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000901297583 675780176 /nfs/dbraw/zinc/78/01/76/675780176.db2.gz YOFUBWZYWQGJOW-ILXRZTDVSA-N 2 0 358.552 0.727 20 0 FCADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299415 675780513 /nfs/dbraw/zinc/78/05/13/675780513.db2.gz PYQFTQYFQSRBAF-SJORKVTESA-N 2 0 351.491 0.689 20 0 FCADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001020612737 1168160471 /nfs/dbraw/zinc/16/04/71/1168160471.db2.gz AHJIOTJGWRRJBS-HSFUPAIVSA-N 2 0 358.486 0.833 20 0 FCADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092988 1168165574 /nfs/dbraw/zinc/16/55/74/1168165574.db2.gz JSAJMIFTPLLZLY-CVEARBPZSA-N 2 0 357.462 0.151 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001021240596 1168855509 /nfs/dbraw/zinc/85/55/09/1168855509.db2.gz LWJYOVBEPVSPSC-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241560 1168856899 /nfs/dbraw/zinc/85/68/99/1168856899.db2.gz IITUXQQZAJVHDW-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001212022914 1192337547 /nfs/dbraw/zinc/33/75/47/1192337547.db2.gz ITWONSWKTQFIIN-GWCFXTLKSA-N 2 0 360.418 0.178 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287966 1169161771 /nfs/dbraw/zinc/16/17/71/1169161771.db2.gz OAFNCIXNHIDSTD-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897527009 1192372252 /nfs/dbraw/zinc/37/22/52/1192372252.db2.gz WBOAOPHQGSOPBJ-JKSUJKDBSA-N 2 0 361.490 0.965 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001104351016 1170220705 /nfs/dbraw/zinc/22/07/05/1170220705.db2.gz WVVDPFXZNBKBMX-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC1 ZINC001022035365 1170444784 /nfs/dbraw/zinc/44/47/84/1170444784.db2.gz KHMPXZKGMXIRIH-DLBZAZTESA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087166905 1170748144 /nfs/dbraw/zinc/74/81/44/1170748144.db2.gz JHIZQXBQBXZKGI-HFTRVMKXSA-N 2 0 360.506 0.874 20 0 FCADRP CNC(=O)N1CC[NH+](CCCCCC[NH+]2CCN(C(=O)NC)CC2)CC1 ZINC000084696747 1170818805 /nfs/dbraw/zinc/81/88/05/1170818805.db2.gz UAYCZHVOKFAKIW-UHFFFAOYSA-N 2 0 368.526 0.461 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C[C@H]2C1 ZINC000891714653 1170833136 /nfs/dbraw/zinc/83/31/36/1170833136.db2.gz TZBUSDAFYFQDAH-CALCHBBNSA-N 2 0 358.490 0.536 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2CCS(=O)(=O)CC2)C2CC2)CC[N@@H+]1C ZINC001691210902 1170860449 /nfs/dbraw/zinc/86/04/49/1170860449.db2.gz FZVGOWSISXJEKG-RHSMWYFYSA-N 2 0 371.547 0.732 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000179291036 1192434192 /nfs/dbraw/zinc/43/41/92/1192434192.db2.gz PLHVNSRAANIWLF-CALCHBBNSA-N 2 0 369.554 0.763 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001691283462 1171030126 /nfs/dbraw/zinc/03/01/26/1171030126.db2.gz BGLZKKSZEJEWID-ZWKOTPCHSA-N 2 0 363.506 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001691285619 1171034248 /nfs/dbraw/zinc/03/42/48/1171034248.db2.gz CUCZKLBASPBCDI-RYQLBKOJSA-N 2 0 363.506 0.682 20 0 FCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891902689 1171060852 /nfs/dbraw/zinc/06/08/52/1171060852.db2.gz WDQGARCBKXJLRD-JONQDZQNSA-N 2 0 367.494 0.683 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001691356666 1171198622 /nfs/dbraw/zinc/19/86/22/1171198622.db2.gz ZGDFCUCKVZBYDW-CBBWQLFWSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CCOCCO)C1 ZINC001691367179 1171213724 /nfs/dbraw/zinc/21/37/24/1171213724.db2.gz HLZFNOCEYFTXQX-OWSLCNJRSA-N 2 0 355.523 0.942 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001691773509 1171263974 /nfs/dbraw/zinc/26/39/74/1171263974.db2.gz CNVAUYZFCYVDMJ-RCCFBDPRSA-N 2 0 365.518 0.962 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104389373 1171298321 /nfs/dbraw/zinc/29/83/21/1171298321.db2.gz XOPQALGRZCYBQQ-UKRRQHHQSA-N 2 0 368.445 0.746 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972804 1171367747 /nfs/dbraw/zinc/36/77/47/1171367747.db2.gz LISFSFMJJCPMJI-PKOBYXMFSA-N 2 0 359.518 0.959 20 0 FCADRP C[C@]1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC[NH2+]C1 ZINC000892060447 1171542816 /nfs/dbraw/zinc/54/28/16/1171542816.db2.gz PXBJZLRGDINOSA-SFHVURJKSA-N 2 0 365.522 0.892 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083236140 1171548093 /nfs/dbraw/zinc/54/80/93/1171548093.db2.gz MVEFDFMOJQHFRH-RYQLBKOJSA-N 2 0 367.490 0.045 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000892099857 1171580915 /nfs/dbraw/zinc/58/09/15/1171580915.db2.gz APNQAFUDCUGMFU-UHFFFAOYSA-N 2 0 363.506 0.812 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000892131113 1171622622 /nfs/dbraw/zinc/62/26/22/1171622622.db2.gz VGTVRMYVFWPZCX-UHFFFAOYSA-N 2 0 361.490 0.802 20 0 FCADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000892220948 1171767386 /nfs/dbraw/zinc/76/73/86/1171767386.db2.gz WSASWVUOLUKAOX-UHFFFAOYSA-N 2 0 362.474 0.304 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022717964 1171806777 /nfs/dbraw/zinc/80/67/77/1171806777.db2.gz PSHBJUSLAZTMKE-YESZJQIVSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724672 1171820952 /nfs/dbraw/zinc/82/09/52/1171820952.db2.gz BFGGRHDSLMBCGH-YESZJQIVSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087208052 1171821890 /nfs/dbraw/zinc/82/18/90/1171821890.db2.gz KJHQWWXDFXAXNP-HIFRSBDPSA-N 2 0 364.494 0.167 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000892274488 1171951085 /nfs/dbraw/zinc/95/10/85/1171951085.db2.gz NQSLFVWOTUBOEC-OAHLLOKOSA-N 2 0 363.506 0.786 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000897939887 1192852100 /nfs/dbraw/zinc/85/21/00/1192852100.db2.gz ULYJWJUHYDHQCT-HZPDHXFCSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1CCN(C(=O)CCc2cncn2C)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087241703 1179748669 /nfs/dbraw/zinc/74/86/69/1179748669.db2.gz JKDQKRADIUSANX-PVAVHDDUSA-N 2 0 361.490 0.800 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC000892378833 1180003685 /nfs/dbraw/zinc/00/36/85/1180003685.db2.gz VVRJZVFCEQHSLG-OAHLLOKOSA-N 2 0 366.510 0.117 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001023690582 1180109452 /nfs/dbraw/zinc/10/94/52/1180109452.db2.gz PVZNRQNRJCTAOH-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796911 1180325789 /nfs/dbraw/zinc/32/57/89/1180325789.db2.gz QKFPBQULOFZKQE-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518608 1180838551 /nfs/dbraw/zinc/83/85/51/1180838551.db2.gz RRSCCLOJFZWRIJ-KXBFYZLASA-N 2 0 360.506 0.875 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462746 1181205987 /nfs/dbraw/zinc/20/59/87/1181205987.db2.gz UHQIFHQYHPAFSU-BRWVUGGUSA-N 2 0 371.441 0.038 20 0 FCADRP COc1ccc(CN2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083273870 1181736577 /nfs/dbraw/zinc/73/65/77/1181736577.db2.gz LQLWGNSJGFICKF-YESZJQIVSA-N 2 0 360.458 0.454 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1)C1CCC1 ZINC001083275806 1181854885 /nfs/dbraw/zinc/85/48/85/1181854885.db2.gz XNZCZFCIWFQXLL-OKZBNKHCSA-N 2 0 362.474 0.918 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC000972992145 1181856794 /nfs/dbraw/zinc/85/67/94/1181856794.db2.gz JPPCAFZZLXDDQI-KZNAEPCWSA-N 2 0 364.534 0.974 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000892564434 1181871275 /nfs/dbraw/zinc/87/12/75/1181871275.db2.gz DYCHVPHBHAWDNM-WOVMCDHWSA-N 2 0 365.522 0.747 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892587693 1181895815 /nfs/dbraw/zinc/89/58/15/1181895815.db2.gz PASNAJSVNWCQJH-NXOAAHMSSA-N 2 0 363.506 0.370 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598954 1181911167 /nfs/dbraw/zinc/91/11/67/1181911167.db2.gz OZQOFTUQBFQALZ-YVSFHVDLSA-N 2 0 363.506 0.465 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)cc1 ZINC001025302019 1182169336 /nfs/dbraw/zinc/16/93/36/1182169336.db2.gz GTOIZXLCLGBTSM-HZPDHXFCSA-N 2 0 371.441 0.016 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001104594687 1182259670 /nfs/dbraw/zinc/25/96/70/1182259670.db2.gz DLSDQAYPDCISKD-RBSFLKMASA-N 2 0 364.490 0.208 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)[NH+](CC)CC ZINC001104667784 1182352545 /nfs/dbraw/zinc/35/25/45/1182352545.db2.gz ZTHKHZGKARQEDO-OAGGEKHMSA-N 2 0 365.526 0.905 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892755424 1182479856 /nfs/dbraw/zinc/47/98/56/1182479856.db2.gz HSCPRHVTALDEIU-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768347 1182491408 /nfs/dbraw/zinc/49/14/08/1182491408.db2.gz GSQHNDMZEVYXSL-KRWDZBQOSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000892774682 1182499408 /nfs/dbraw/zinc/49/94/08/1182499408.db2.gz UNVLZJHJNFRIOR-SJORKVTESA-N 2 0 366.506 0.509 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001025684482 1182686180 /nfs/dbraw/zinc/68/61/80/1182686180.db2.gz KCOGISATXPHXGR-IAOVAPTHSA-N 2 0 371.441 0.120 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000893050000 1182869154 /nfs/dbraw/zinc/86/91/54/1182869154.db2.gz GRQZAOBADBYPML-FUHWJXTLSA-N 2 0 370.538 0.879 20 0 FCADRP O=C(Cn1ccnc1)N1CCO[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083290520 1182901609 /nfs/dbraw/zinc/90/16/09/1182901609.db2.gz FFKDCXFFLTWFTJ-RCCFBDPRSA-N 2 0 356.426 0.528 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001104908395 1182990821 /nfs/dbraw/zinc/99/08/21/1182990821.db2.gz VIBZCBCHNQTKLQ-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104912412 1182991791 /nfs/dbraw/zinc/99/17/91/1182991791.db2.gz SCURJWSLQNLCCS-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001105010741 1183068060 /nfs/dbraw/zinc/06/80/60/1183068060.db2.gz XODGWMGRLPJXQC-BZUAXINKSA-N 2 0 364.490 0.161 20 0 FCADRP c1ccc(N2CC[NH+](C3(CN[C@H]4C[NH2+]CCOC4)CCOCC3)CC2)cc1 ZINC000925696532 1183269607 /nfs/dbraw/zinc/26/96/07/1183269607.db2.gz XZLKPYFWBXAIKK-IBGZPJMESA-N 2 0 374.529 0.936 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587419 1183354808 /nfs/dbraw/zinc/35/48/08/1183354808.db2.gz ZNKUNOJEXAYBDU-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC000974584474 1183363706 /nfs/dbraw/zinc/36/37/06/1183363706.db2.gz QAULKGUOLPQLDF-BRWVUGGUSA-N 2 0 360.502 0.482 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974587312 1183366671 /nfs/dbraw/zinc/36/66/71/1183366671.db2.gz JQOHDTUHDIXJIE-RBSFLKMASA-N 2 0 364.490 0.302 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001211662199 1183835763 /nfs/dbraw/zinc/83/57/63/1183835763.db2.gz VQZSMQJZRIEGKO-RCCFBDPRSA-N 2 0 370.497 0.801 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)Cn3ccnc3C)C[C@@H]21)[NH+](C)C ZINC000975717672 1185634483 /nfs/dbraw/zinc/63/44/83/1185634483.db2.gz NMIRNUXZHDDQHL-ULQDDVLXSA-N 2 0 361.490 0.981 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1C ZINC001058845500 1186245525 /nfs/dbraw/zinc/24/55/25/1186245525.db2.gz PNJQSEOBEBGVPI-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3(CS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001670784144 1186404548 /nfs/dbraw/zinc/40/45/48/1186404548.db2.gz HYQXEXRVBMUBOI-ZIAGYGMSSA-N 2 0 357.520 0.390 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613803 1186652266 /nfs/dbraw/zinc/65/22/66/1186652266.db2.gz QFIARVLHBRENNK-OKZBNKHCSA-N 2 0 356.470 0.912 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691501234 1186684574 /nfs/dbraw/zinc/68/45/74/1186684574.db2.gz KCFLITFTWGOJDR-BQJWPVKWSA-N 2 0 352.523 0.972 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691501235 1186684961 /nfs/dbraw/zinc/68/49/61/1186684961.db2.gz KCFLITFTWGOJDR-WRQOLXDDSA-N 2 0 352.523 0.972 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893867862 1187519224 /nfs/dbraw/zinc/51/92/24/1187519224.db2.gz RWAGCPBORUPAMN-ROUUACIJSA-N 2 0 367.538 0.253 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839630 1187534144 /nfs/dbraw/zinc/53/41/44/1187534144.db2.gz LTCDVNXWNGEABO-LJQANCHMSA-N 2 0 358.490 0.543 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549978742 1187974192 /nfs/dbraw/zinc/97/41/92/1187974192.db2.gz GTCJENGIZMUGMI-KRWDZBQOSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)C4CC[NH+](C)CC4)(C2)C3)CC1 ZINC001270101161 1188009160 /nfs/dbraw/zinc/00/91/60/1188009160.db2.gz BGEAGZKMNKNAAZ-UHFFFAOYSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001270118727 1188020151 /nfs/dbraw/zinc/02/01/51/1188020151.db2.gz LLQQNXBZXIBPCC-QGZVFWFLSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000398086372 1188029782 /nfs/dbraw/zinc/02/97/82/1188029782.db2.gz ULFHIDOPIYZKKN-HYVNUMGLSA-N 2 0 367.515 0.775 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095025 1188222940 /nfs/dbraw/zinc/22/29/40/1188222940.db2.gz HXGKMOXMIHZLLU-IAGOWNOFSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000550098977 1188223629 /nfs/dbraw/zinc/22/36/29/1188223629.db2.gz YCAKADGFYWPAQD-QGZVFWFLSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCOCC2)C1 ZINC000550271462 1188252300 /nfs/dbraw/zinc/25/23/00/1188252300.db2.gz OFSRIKSBDOUQPU-QGZVFWFLSA-N 2 0 366.506 0.015 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC000983707264 1188276049 /nfs/dbraw/zinc/27/60/49/1188276049.db2.gz BPFQCYYKATUVNN-RKYPPNDESA-N 2 0 362.518 0.964 20 0 FCADRP C[C@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111884 1188293723 /nfs/dbraw/zinc/29/37/23/1188293723.db2.gz QUNVETMAAGUDHO-RVKKMQEKSA-N 2 0 363.506 0.856 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000520224588 1188330900 /nfs/dbraw/zinc/33/09/00/1188330900.db2.gz OFVFNJOPCWOTBG-UHFFFAOYSA-N 2 0 357.462 0.627 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000550355846 1188342688 /nfs/dbraw/zinc/34/26/88/1188342688.db2.gz JCRITHBBQAELDQ-WBVHZDCISA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000550372514 1188343241 /nfs/dbraw/zinc/34/32/41/1188343241.db2.gz MACVNROENIVFGA-UHFFFAOYSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000550413853 1188366906 /nfs/dbraw/zinc/36/69/06/1188366906.db2.gz DQNGVLXCMBLLAO-YJBOKZPZSA-N 2 0 360.502 0.874 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CCCc1nc(C)no1 ZINC001087529383 1189383819 /nfs/dbraw/zinc/38/38/19/1189383819.db2.gz DUIWNXYCQAZFPP-XHSDSOJGSA-N 2 0 365.478 0.610 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550455406 1189486962 /nfs/dbraw/zinc/48/69/62/1189486962.db2.gz KIVRJRYSGSASKH-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1CCNC1=O ZINC001087574048 1189608755 /nfs/dbraw/zinc/60/87/55/1189608755.db2.gz PVCHZLUWAYBJCU-YESZJQIVSA-N 2 0 363.506 0.323 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001087659409 1189710169 /nfs/dbraw/zinc/71/01/69/1189710169.db2.gz FEUSDKZMFHQYLA-OWCLPIDISA-N 2 0 357.462 0.940 20 0 FCADRP CCN1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550518744 1189810254 /nfs/dbraw/zinc/81/02/54/1189810254.db2.gz IIVPLWJCZVWMFN-CVEARBPZSA-N 2 0 367.538 0.070 20 0 FCADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008284 1189912559 /nfs/dbraw/zinc/91/25/59/1189912559.db2.gz CCIFCUGMKUSOPX-SJORKVTESA-N 2 0 374.489 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971151 1190036165 /nfs/dbraw/zinc/03/61/65/1190036165.db2.gz HUOOMYPGRPFWHF-ZJPYXAASSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000896468580 1190064790 /nfs/dbraw/zinc/06/47/90/1190064790.db2.gz QABZAXPMKVCSFS-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001087993271 1190143728 /nfs/dbraw/zinc/14/37/28/1190143728.db2.gz HXHLJMOXQWQWTR-JTDSTZFVSA-N 2 0 362.518 0.728 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999235 1190169001 /nfs/dbraw/zinc/16/90/01/1190169001.db2.gz BZIMMUDDOPBOGM-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999630 1190169932 /nfs/dbraw/zinc/16/99/32/1190169932.db2.gz VJWBKJPGTZGBBG-RYRKJORJSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088052487 1190316499 /nfs/dbraw/zinc/31/64/99/1190316499.db2.gz UAKMTTBJDDBATL-SJORKVTESA-N 2 0 358.486 0.670 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053210 1190319292 /nfs/dbraw/zinc/31/92/92/1190319292.db2.gz YWZSZLVTWOCAGI-ZIFCJYIRSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064205 1190340346 /nfs/dbraw/zinc/34/03/46/1190340346.db2.gz RNONDFYNUWAHPL-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000985140180 1190628356 /nfs/dbraw/zinc/62/83/56/1190628356.db2.gz OZUMVUYDKXCTSY-ARFHVFGLSA-N 2 0 363.462 0.018 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000985825533 1190825152 /nfs/dbraw/zinc/82/51/52/1190825152.db2.gz AMVDNUOBZVFTQE-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257738 1190934132 /nfs/dbraw/zinc/93/41/32/1190934132.db2.gz BKJWJQLYEGKYTE-ZACQAIPSSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001029966226 1191039971 /nfs/dbraw/zinc/03/99/71/1191039971.db2.gz OYDZLLBFDBRCCZ-JKSUJKDBSA-N 2 0 363.510 0.611 20 0 FCADRP CN1CCN(C(=O)C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)CC1 ZINC001276765219 1224132433 /nfs/dbraw/zinc/13/24/33/1224132433.db2.gz PJNQLKYOECCKMT-UHFFFAOYSA-N 2 0 372.460 0.730 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@H]2CC[NH2+]C2)cc1)C(N)=O ZINC001218180723 1224146222 /nfs/dbraw/zinc/14/62/22/1224146222.db2.gz BUXARTWRMQXMDF-ULQDDVLXSA-N 2 0 362.474 0.313 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cncn4C3)[C@H]2C1 ZINC001218196996 1224146477 /nfs/dbraw/zinc/14/64/77/1224146477.db2.gz XARHIYIHKRZEJV-BPQIPLTHSA-N 2 0 362.474 0.784 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000550653457 1193724710 /nfs/dbraw/zinc/72/47/10/1193724710.db2.gz IJEBJBJVQURMOT-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088693327 1193739637 /nfs/dbraw/zinc/73/96/37/1193739637.db2.gz VKVBKTIHRSECOO-IKGGRYGDSA-N 2 0 365.522 0.711 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)nc2)CC1 ZINC001218515994 1224165919 /nfs/dbraw/zinc/16/59/19/1224165919.db2.gz PYFSLWNVQIBLKD-SJLPKXTDSA-N 2 0 372.517 0.846 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000551043336 1193829982 /nfs/dbraw/zinc/82/99/82/1193829982.db2.gz VFNPTOQTTQIDKZ-SJORKVTESA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218557502 1224172630 /nfs/dbraw/zinc/17/26/30/1224172630.db2.gz AMELHNRMUCRTTF-HRCADAONSA-N 2 0 362.478 0.019 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218550889 1224171569 /nfs/dbraw/zinc/17/15/69/1224171569.db2.gz RZPDAKXTXLYZEC-IPMKNSEASA-N 2 0 361.486 0.973 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105641470 1193844935 /nfs/dbraw/zinc/84/49/35/1193844935.db2.gz BNWBHNABLJAJDX-UMHPPVOVSA-N 2 0 368.522 0.168 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000551333110 1193850416 /nfs/dbraw/zinc/85/04/16/1193850416.db2.gz CFOIJYJEKNMLGZ-UHFFFAOYSA-N 2 0 361.490 0.822 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001060037256 1193861309 /nfs/dbraw/zinc/86/13/09/1193861309.db2.gz CEMLNNRSDRFVAG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000551931186 1193877042 /nfs/dbraw/zinc/87/70/42/1193877042.db2.gz KWJVXAJWBUNJIQ-JVSBHGNQSA-N 2 0 366.550 0.576 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1Cc1cncn1C ZINC001088757158 1193891858 /nfs/dbraw/zinc/89/18/58/1193891858.db2.gz LMWGYCSXNRUZRS-KDEDCYCISA-N 2 0 359.474 0.362 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000552364833 1193926772 /nfs/dbraw/zinc/92/67/72/1193926772.db2.gz FBCIOUCAHKUIMB-QGZVFWFLSA-N 3 0 369.554 0.175 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000552969373 1193961825 /nfs/dbraw/zinc/96/18/25/1193961825.db2.gz JIHHNIDBDHMKFU-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218614699 1224182523 /nfs/dbraw/zinc/18/25/23/1224182523.db2.gz MDWRJVTZQJHNII-KBPBESRZSA-N 2 0 359.434 0.344 20 0 FCADRP Cc1nc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc(N2CCOCC2)n1 ZINC001218619209 1224182947 /nfs/dbraw/zinc/18/29/47/1224182947.db2.gz BJIQKWZPHIUQLY-CQSZACIVSA-N 2 0 360.462 0.434 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000553598212 1194008652 /nfs/dbraw/zinc/00/86/52/1194008652.db2.gz BGYSCHSSLJXZMN-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC000553601219 1194009214 /nfs/dbraw/zinc/00/92/14/1194009214.db2.gz CTPNRHKOVMYTNN-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000553620105 1194011727 /nfs/dbraw/zinc/01/17/27/1194011727.db2.gz PWLWCAPPSYYNFH-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218642582 1224188601 /nfs/dbraw/zinc/18/86/01/1224188601.db2.gz AYCIVYRVMOGTJS-OLZOCXBDSA-N 2 0 371.445 0.948 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765743 1194116925 /nfs/dbraw/zinc/11/69/25/1194116925.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 0 362.478 0.062 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000842267285 1194143429 /nfs/dbraw/zinc/14/34/29/1194143429.db2.gz WGGWGEAXMJVATD-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CC[NH2+]CC1 ZINC001218695422 1224198041 /nfs/dbraw/zinc/19/80/41/1224198041.db2.gz WIEDHYUJBCKSMM-INIZCTEOSA-N 3 0 358.490 0.623 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218695925 1224198340 /nfs/dbraw/zinc/19/83/40/1224198340.db2.gz KLHHPZWQICWTRM-HNNXBMFYSA-N 2 0 362.478 0.238 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NCC[N@H+](C)CCO)c1-c1ccccc1 ZINC000899737323 1194193791 /nfs/dbraw/zinc/19/37/91/1194193791.db2.gz HGXODHWIIVZRGW-UHFFFAOYSA-N 2 0 359.474 0.766 20 0 FCADRP CC(=O)c1ncccc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218703578 1224199545 /nfs/dbraw/zinc/19/95/45/1224199545.db2.gz FXQZKSKPMQPNRD-ZFWWWQNUSA-N 2 0 361.446 0.670 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)CN3CCCC[C@H]([NH3+])C3=O)cn2)CC1 ZINC001218724928 1224206280 /nfs/dbraw/zinc/20/62/80/1224206280.db2.gz QKABEBVAICBMSI-HNNXBMFYSA-N 2 0 360.462 0.287 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243625 1194370755 /nfs/dbraw/zinc/37/07/55/1194370755.db2.gz AIDUWLLFFSXGHT-HRCADAONSA-N 2 0 362.474 0.010 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794782 1224213823 /nfs/dbraw/zinc/21/38/23/1224213823.db2.gz SHHIBQVJTQCSLE-BEFAXECRSA-N 3 0 368.522 0.138 20 0 FCADRP CCOC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794930 1224214795 /nfs/dbraw/zinc/21/47/95/1224214795.db2.gz UWNFYTYHGIHHCZ-SPYBWZPUSA-N 2 0 369.506 0.611 20 0 FCADRP COC(=O)c1cc(-c2ccn(C(=O)CNCCC[NH3+])c(=N)c2N)ccc1C ZINC001218771050 1224217296 /nfs/dbraw/zinc/21/72/96/1224217296.db2.gz NXKQRGKVKDCDPB-UHFFFAOYSA-N 2 0 371.441 0.890 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001076407751 1194453575 /nfs/dbraw/zinc/45/35/75/1194453575.db2.gz VJFKPHJCLJVMRE-FUHWJXTLSA-N 2 0 361.490 0.527 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447093 1194501493 /nfs/dbraw/zinc/50/14/93/1194501493.db2.gz PRHCAXHLBLSZMK-OKZBNKHCSA-N 2 0 362.518 0.905 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461899 1194505331 /nfs/dbraw/zinc/50/53/31/1194505331.db2.gz AKNGHFZBGMQSNT-OWCLPIDISA-N 2 0 362.474 0.010 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461898 1194506021 /nfs/dbraw/zinc/50/60/21/1194506021.db2.gz AKNGHFZBGMQSNT-HRCADAONSA-N 2 0 362.474 0.010 20 0 FCADRP O=C(Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218830706 1224233894 /nfs/dbraw/zinc/23/38/94/1224233894.db2.gz KJONAXGEQRLFFF-LBPRGKRZSA-N 2 0 368.359 0.886 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2)CC1 ZINC001218845544 1224238829 /nfs/dbraw/zinc/23/88/29/1224238829.db2.gz DDDNXPKEWUOCOK-GOSISDBHSA-N 3 0 357.502 0.572 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2)CC1 ZINC001218845546 1224239014 /nfs/dbraw/zinc/23/90/14/1224239014.db2.gz DDDNXPKEWUOCOK-SFHVURJKSA-N 3 0 357.502 0.572 20 0 FCADRP O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218874202 1224243487 /nfs/dbraw/zinc/24/34/87/1224243487.db2.gz VIRXZCKIZSCUGZ-INIZCTEOSA-N 2 0 357.458 0.436 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881708 1224247990 /nfs/dbraw/zinc/24/79/90/1224247990.db2.gz BVAMGCWKHGDOPU-BBRMVZONSA-N 2 0 373.457 0.009 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001218918635 1224257266 /nfs/dbraw/zinc/25/72/66/1224257266.db2.gz IFNDYVKEKDUVBI-RBUKOAKNSA-N 2 0 361.486 0.932 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563623 1195223700 /nfs/dbraw/zinc/22/37/00/1195223700.db2.gz YCDNPEXASWMIMZ-MSOLQXFVSA-N 2 0 365.518 0.840 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001218937094 1224267249 /nfs/dbraw/zinc/26/72/49/1224267249.db2.gz KAXVVGQBIVMBOO-SFHVURJKSA-N 2 0 352.438 0.982 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077131614 1195247424 /nfs/dbraw/zinc/24/74/24/1195247424.db2.gz ILSRFASXLRWLCW-KZNAEPCWSA-N 2 0 363.506 0.387 20 0 FCADRP CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCN3)c2)CC1 ZINC001218961992 1224272914 /nfs/dbraw/zinc/27/29/14/1224272914.db2.gz DOSJZXBBYXLJMP-GOSISDBHSA-N 2 0 374.485 0.962 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366656 1195466349 /nfs/dbraw/zinc/46/63/49/1195466349.db2.gz UKSHAEMLEYTJHV-ZTFGCOKTSA-N 2 0 371.441 0.469 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077393761 1195491125 /nfs/dbraw/zinc/49/11/25/1195491125.db2.gz KMHDGBRANXMLBG-IAGOWNOFSA-N 2 0 371.441 0.122 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219004253 1224285163 /nfs/dbraw/zinc/28/51/63/1224285163.db2.gz CETGFADTTGMFIV-YESZJQIVSA-N 2 0 366.506 0.251 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418744 1195517423 /nfs/dbraw/zinc/51/74/23/1195517423.db2.gz ZAOLWDYTFYAULT-SYJBPTKTSA-N 2 0 363.502 0.591 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)C1 ZINC000906604680 1195641761 /nfs/dbraw/zinc/64/17/61/1195641761.db2.gz FLXCVNRPADUIIR-KRWDZBQOSA-N 2 0 365.522 0.620 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)C1 ZINC000906652607 1195642753 /nfs/dbraw/zinc/64/27/53/1195642753.db2.gz NYFDVAGTAYPKRX-INIZCTEOSA-N 2 0 359.474 0.322 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000906684459 1195646128 /nfs/dbraw/zinc/64/61/28/1195646128.db2.gz ALLVRTBQFZWERU-UHFFFAOYSA-N 2 0 374.529 0.753 20 0 FCADRP O=C(NCCC[NH+]1CCC(O)CC1)c1cccn1CCN1CCOCC1 ZINC000906740584 1195652017 /nfs/dbraw/zinc/65/20/17/1195652017.db2.gz YDLYKIXSWUUWTC-UHFFFAOYSA-N 2 0 364.490 0.397 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000907288932 1195686978 /nfs/dbraw/zinc/68/69/78/1195686978.db2.gz YMTCKIZCMRNLQZ-FQEVSTJZSA-N 2 0 374.529 0.753 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909315304 1195792862 /nfs/dbraw/zinc/79/28/62/1195792862.db2.gz IEIMZECGABFJHA-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CCN1c1cc[nH+]cc1 ZINC000910700534 1195834728 /nfs/dbraw/zinc/83/47/28/1195834728.db2.gz SJKAEXGJWQFJEQ-OAHLLOKOSA-N 2 0 359.474 0.671 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000910953634 1195868330 /nfs/dbraw/zinc/86/83/30/1195868330.db2.gz UONPYAYTOASFSQ-KRWDZBQOSA-N 2 0 374.485 0.946 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+](C)C)cc1 ZINC000910947137 1195871216 /nfs/dbraw/zinc/87/12/16/1195871216.db2.gz UERCKBFPVGPYRE-RCCFBDPRSA-N 2 0 358.486 0.782 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000910977627 1195872941 /nfs/dbraw/zinc/87/29/41/1195872941.db2.gz VPFKBXNLKORQEH-YJBOKZPZSA-N 2 0 374.485 0.067 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000911013329 1195878010 /nfs/dbraw/zinc/87/80/10/1195878010.db2.gz ZQHLTOSPPFVBAJ-YESZJQIVSA-N 2 0 366.506 0.129 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000911013328 1195878164 /nfs/dbraw/zinc/87/81/64/1195878164.db2.gz ZQHLTOSPPFVBAJ-ULQDDVLXSA-N 2 0 366.506 0.129 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)c1cccc(OC)c1 ZINC000911047910 1195883529 /nfs/dbraw/zinc/88/35/29/1195883529.db2.gz JPMPOXMDDVRPEM-INIZCTEOSA-N 2 0 362.474 0.802 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911099960 1195889263 /nfs/dbraw/zinc/88/92/63/1195889263.db2.gz OEVWKHRAWWZDMB-SJORKVTESA-N 2 0 366.506 0.394 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911195524 1195918655 /nfs/dbraw/zinc/91/86/55/1195918655.db2.gz ULDPUTCXNXXOMY-GDAAHCPNSA-N 2 0 370.497 0.691 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000911227511 1195923822 /nfs/dbraw/zinc/92/38/22/1195923822.db2.gz FCBSQDGDIWEDIU-INIZCTEOSA-N 2 0 359.474 0.612 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911230691 1195924710 /nfs/dbraw/zinc/92/47/10/1195924710.db2.gz QLKQQPYERGWPFX-DLBZAZTESA-N 2 0 371.485 0.482 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911333766 1195935315 /nfs/dbraw/zinc/93/53/15/1195935315.db2.gz UWIYVXUCEMHANZ-ZTFGCOKTSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000911704372 1196308533 /nfs/dbraw/zinc/30/85/33/1196308533.db2.gz DCSCWPDSJYVXFT-LSDHHAIUSA-N 2 0 359.474 0.436 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)c1 ZINC001083654320 1196346483 /nfs/dbraw/zinc/34/64/83/1196346483.db2.gz IEYQKZHDUBDKSO-DXWXDBEXSA-N 2 0 371.481 0.520 20 0 FCADRP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219092361 1224350054 /nfs/dbraw/zinc/35/00/54/1224350054.db2.gz GMQJTRSKPIQAJD-OAHLLOKOSA-N 2 0 360.393 0.843 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000592964272 1196597250 /nfs/dbraw/zinc/59/72/50/1196597250.db2.gz QJZYMMITMOAWLO-SFHVURJKSA-N 2 0 374.485 0.562 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958943 1196600566 /nfs/dbraw/zinc/60/05/66/1196600566.db2.gz AGSTZVGYQCHDBK-HUUCEWRRSA-N 2 0 360.506 0.618 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000594158996 1196692457 /nfs/dbraw/zinc/69/24/57/1196692457.db2.gz SSXMIRGUOAFTRF-MRXNPFEDSA-N 2 0 369.554 0.811 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)no1 ZINC001105946052 1196749969 /nfs/dbraw/zinc/74/99/69/1196749969.db2.gz JSNLQJKHZPUWPC-YUELXQCFSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001105946127 1196750243 /nfs/dbraw/zinc/75/02/43/1196750243.db2.gz LOADXWMAXNBWBL-OAGGEKHMSA-N 2 0 367.538 0.862 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001219193692 1224382190 /nfs/dbraw/zinc/38/21/90/1224382190.db2.gz JCIMTSMRTDMYHC-ZFWWWQNUSA-N 2 0 371.407 0.738 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC001272415492 1197067708 /nfs/dbraw/zinc/06/77/08/1197067708.db2.gz YKBDAGXPSKSQTJ-HYVNUMGLSA-N 2 0 362.474 0.056 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCCCC2)CC[N@@H+]1C ZINC001272424935 1197072975 /nfs/dbraw/zinc/07/29/75/1197072975.db2.gz DYNBHJKQWJKZAS-DJIMGWMZSA-N 2 0 368.522 0.232 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142945 1197290629 /nfs/dbraw/zinc/29/06/29/1197290629.db2.gz FOYQXEWEGWWDPB-KBAYOESNSA-N 2 0 364.534 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106143172 1197299157 /nfs/dbraw/zinc/29/91/57/1197299157.db2.gz UXKCDBKWSJXYNR-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106196168 1197629439 /nfs/dbraw/zinc/62/94/39/1197629439.db2.gz UXFHUWRSAGLJTO-ZACQAIPSSA-N 2 0 370.513 0.973 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992991063 1197649757 /nfs/dbraw/zinc/64/97/57/1197649757.db2.gz LLHZUODHFVGVDR-VIPLHTEESA-N 2 0 362.518 0.729 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106211158 1197701723 /nfs/dbraw/zinc/70/17/23/1197701723.db2.gz SOUAXHPDWZDGSY-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041027 1197724341 /nfs/dbraw/zinc/72/43/41/1197724341.db2.gz QUXTTXRHEIWOMN-XAUMDUMWSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106247826 1197780031 /nfs/dbraw/zinc/78/00/31/1197780031.db2.gz CRFLLFZKEVOGQI-IXDOHACOSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106248712 1197781114 /nfs/dbraw/zinc/78/11/14/1197781114.db2.gz XBOJFLALZXIHKI-KZNAEPCWSA-N 2 0 362.522 0.940 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249831 1197787180 /nfs/dbraw/zinc/78/71/80/1197787180.db2.gz SHGQJTXYSWXLLS-KYJSFNMBSA-N 2 0 368.522 0.163 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993098798 1197821618 /nfs/dbraw/zinc/82/16/18/1197821618.db2.gz VGWBAFVVIYPQAP-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001085352854 1197840727 /nfs/dbraw/zinc/84/07/27/1197840727.db2.gz AQIZQEHUWPAUJS-BZUAXINKSA-N 2 0 364.490 0.541 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1)[NH+](C)C ZINC001106309043 1197861449 /nfs/dbraw/zinc/86/14/49/1197861449.db2.gz NDHXZQHCMRBMBU-BFYDXBDKSA-N 2 0 368.522 0.306 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323079 1197864217 /nfs/dbraw/zinc/86/42/17/1197864217.db2.gz XICASWDMBAAQGH-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716141 1197947895 /nfs/dbraw/zinc/94/78/95/1197947895.db2.gz KIQXYZOUGXPBND-AZUAARDMSA-N 2 0 374.529 0.479 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001273350167 1197958931 /nfs/dbraw/zinc/95/89/31/1197958931.db2.gz LLRIATYFDANYCH-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273350576 1197960969 /nfs/dbraw/zinc/96/09/69/1197960969.db2.gz VVYVSSYBJMYEEZ-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000741088890 1198060619 /nfs/dbraw/zinc/06/06/19/1198060619.db2.gz FFGXTXVCJDSHSX-SFHVURJKSA-N 3 0 369.554 0.765 20 0 FCADRP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCN1C1CCOCC1 ZINC000409449953 1224458808 /nfs/dbraw/zinc/45/88/08/1224458808.db2.gz BWUCRDJQRZODEN-SFHVURJKSA-N 2 0 351.491 0.811 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001086089780 1198148715 /nfs/dbraw/zinc/14/87/15/1198148715.db2.gz PWKVWGCNZLOTRV-XUWVNRHRSA-N 2 0 366.485 0.962 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[NH+]3CCCCC3)C1)C2=O ZINC000742168472 1198155728 /nfs/dbraw/zinc/15/57/28/1198155728.db2.gz AFQJHAQIVDCXFG-MRXNPFEDSA-N 2 0 363.506 0.768 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006288354 1198248829 /nfs/dbraw/zinc/24/88/29/1198248829.db2.gz MTNLWONLHIYSEZ-VQHPVUNQSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cncn2C)C1 ZINC001006289151 1198252194 /nfs/dbraw/zinc/25/21/94/1198252194.db2.gz PWUGZWSNSNKKFS-ABFRBSLYSA-N 2 0 359.474 0.553 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219489825 1224485824 /nfs/dbraw/zinc/48/58/24/1224485824.db2.gz WJCYMFKDCBAICY-NVXWUHKLSA-N 2 0 362.474 0.887 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501397 1224489490 /nfs/dbraw/zinc/48/94/90/1224489490.db2.gz VGQBQAOCARHFIG-KFKAGJAMSA-N 2 0 374.441 0.177 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219533223 1224499985 /nfs/dbraw/zinc/49/99/85/1224499985.db2.gz IICQFCYCSDRQAE-JMSVASOKSA-N 2 0 356.426 0.189 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219533225 1224500721 /nfs/dbraw/zinc/50/07/21/1224500721.db2.gz IICQFCYCSDRQAE-TYNCELHUSA-N 2 0 356.426 0.189 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537846 1224502788 /nfs/dbraw/zinc/50/27/88/1224502788.db2.gz QQIRNHFDLNXKFA-GRDNDAEWSA-N 2 0 366.421 0.742 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC[NH+](C)C ZINC001219553849 1224508197 /nfs/dbraw/zinc/50/81/97/1224508197.db2.gz OCIIPDGNWDGDEL-IRXDYDNUSA-N 2 0 364.490 0.471 20 0 FCADRP Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001219595731 1224521561 /nfs/dbraw/zinc/52/15/61/1224521561.db2.gz MSXMCZMVENQKMK-HOTGVXAUSA-N 2 0 364.494 0.063 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129337647 1199078813 /nfs/dbraw/zinc/07/88/13/1199078813.db2.gz RPYYFHPWRCXNCK-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219610488 1224528094 /nfs/dbraw/zinc/52/80/94/1224528094.db2.gz OOOVASWAXDMAAN-IUIKQTSFSA-N 2 0 368.359 0.507 20 0 FCADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001219648911 1224544227 /nfs/dbraw/zinc/54/42/27/1224544227.db2.gz CDGJYWDMKOLLPY-YSHGAJCASA-N 2 0 372.513 0.828 20 0 FCADRP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652374 1224545127 /nfs/dbraw/zinc/54/51/27/1224545127.db2.gz WABMYHVNTHDGFQ-DFOOCIKTSA-N 2 0 363.506 0.966 20 0 FCADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651870 1224545845 /nfs/dbraw/zinc/54/58/45/1224545845.db2.gz YQELTIFNQLQSCW-WCVJEAGWSA-N 2 0 368.522 0.482 20 0 FCADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C[NH2+]1 ZINC001219683911 1224560382 /nfs/dbraw/zinc/56/03/82/1224560382.db2.gz HCRGZKXZDRHCCA-HSMVNMDESA-N 2 0 359.426 0.873 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3o2)C1 ZINC001219697712 1224564571 /nfs/dbraw/zinc/56/45/71/1224564571.db2.gz XCIRJWPVMOCLAN-RHSMWYFYSA-N 2 0 358.442 0.348 20 0 FCADRP C[NH2+][C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725199 1224578468 /nfs/dbraw/zinc/57/84/68/1224578468.db2.gz BMQNSRHBOBXSCV-NEWSRXKRSA-N 3 0 374.529 0.573 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNC(=O)N1 ZINC001219726136 1224578679 /nfs/dbraw/zinc/57/86/79/1224578679.db2.gz IHQGBEVFLWOEGE-IRXDYDNUSA-N 2 0 371.485 0.286 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219726756 1224579618 /nfs/dbraw/zinc/57/96/18/1224579618.db2.gz OICGDUXGHNFIJM-QYZOEREBSA-N 3 0 372.513 0.327 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219737370 1224586628 /nfs/dbraw/zinc/58/66/28/1224586628.db2.gz UONYKXSGWCJGCO-RHSMWYFYSA-N 2 0 357.454 0.831 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767945902 1200043249 /nfs/dbraw/zinc/04/32/49/1200043249.db2.gz UQROYNSTPZXHSP-TVFCKZIOSA-N 2 0 366.506 0.527 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219741276 1224587273 /nfs/dbraw/zinc/58/72/73/1224587273.db2.gz FZDKRJUTZANBKK-FUHWJXTLSA-N 3 0 364.534 0.868 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219741278 1224587485 /nfs/dbraw/zinc/58/74/85/1224587485.db2.gz FZDKRJUTZANBKK-WMZOPIPTSA-N 3 0 364.534 0.868 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743580 1224588825 /nfs/dbraw/zinc/58/88/25/1224588825.db2.gz HEHNFFRATARIOA-SQNIBIBYSA-N 2 0 361.486 0.725 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384736 1200088665 /nfs/dbraw/zinc/08/86/65/1200088665.db2.gz AEOXBUJPMDABFE-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)NCc2nnc3n2CCC[NH2+]C3)c2ccccc21 ZINC001219749380 1224591879 /nfs/dbraw/zinc/59/18/79/1224591879.db2.gz MGWVMOZBNCHDNU-HNNXBMFYSA-N 2 0 367.457 0.449 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749229 1224593013 /nfs/dbraw/zinc/59/30/13/1224593013.db2.gz KUPACXFCXCECBD-OAHLLOKOSA-N 2 0 365.441 0.506 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219753380 1224596186 /nfs/dbraw/zinc/59/61/86/1224596186.db2.gz HBEPYPZTYBSFIP-AEFFLSMTSA-N 2 0 368.481 0.655 20 0 FCADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772161 1224606189 /nfs/dbraw/zinc/60/61/89/1224606189.db2.gz XPYGDZAHPZHNHU-YLJYHZDGSA-N 2 0 360.477 0.916 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650140 1200441700 /nfs/dbraw/zinc/44/17/00/1200441700.db2.gz UUQZBSVKDZOZDO-NCOADZHNSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC001109672331 1200459970 /nfs/dbraw/zinc/45/99/70/1200459970.db2.gz BZRUKBMZNCSAJF-FZCLSBEQSA-N 2 0 369.506 0.216 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001109732058 1200492634 /nfs/dbraw/zinc/49/26/34/1200492634.db2.gz ZJCMKQCNZIHBSF-MTSZKFMLSA-N 2 0 362.474 0.908 20 0 FCADRP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793161 1224615814 /nfs/dbraw/zinc/61/58/14/1224615814.db2.gz AVUBTMNAUUOXIY-OXQOHEQNSA-N 3 0 364.534 0.868 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219794371 1224616084 /nfs/dbraw/zinc/61/60/84/1224616084.db2.gz YCDJZZIBPSDIHI-UZLBHIALSA-N 3 0 364.534 0.868 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CCC1 ZINC001219802478 1224620741 /nfs/dbraw/zinc/62/07/41/1224620741.db2.gz PSGFBZDLKLCGPI-KURKYZTESA-N 2 0 361.486 0.236 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977649 1200659704 /nfs/dbraw/zinc/65/97/04/1200659704.db2.gz STNODTSEGIWKRY-IKGGRYGDSA-N 2 0 364.494 0.195 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982703 1200675829 /nfs/dbraw/zinc/67/58/29/1200675829.db2.gz OPAHWOXVKUCNBT-BDXSIMOUSA-N 2 0 365.518 0.837 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564334 1200797406 /nfs/dbraw/zinc/79/74/06/1200797406.db2.gz PAFJIEQSOLWWHC-JXFKEZNVSA-N 2 0 362.518 0.827 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000787123500 1200869438 /nfs/dbraw/zinc/86/94/38/1200869438.db2.gz LJPKQGZJJPXWOH-RHSMWYFYSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787123098 1200869663 /nfs/dbraw/zinc/86/96/63/1200869663.db2.gz JZUFFDYDUHRIAZ-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000788460774 1200961942 /nfs/dbraw/zinc/96/19/42/1200961942.db2.gz PZJJKIHRBQMURI-MSOLQXFVSA-N 2 0 374.485 0.344 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219831458 1224643726 /nfs/dbraw/zinc/64/37/26/1224643726.db2.gz LPZCUBLQILEGKW-YRXWBPOGSA-N 2 0 370.497 0.201 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219833246 1224644926 /nfs/dbraw/zinc/64/49/26/1224644926.db2.gz BAPICTXKLOBWEA-NXHRZFHOSA-N 2 0 372.469 0.275 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834123 1224645247 /nfs/dbraw/zinc/64/52/47/1224645247.db2.gz OIXRJXPQJLYVAC-QRFRQXIXSA-N 2 0 361.486 0.685 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219850503 1224654408 /nfs/dbraw/zinc/65/44/08/1224654408.db2.gz WPYNHAYQUDBSFD-SAKMYQHLSA-N 2 0 371.481 0.810 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)O1 ZINC001170276620 1201204208 /nfs/dbraw/zinc/20/42/08/1201204208.db2.gz GFJAVRHRMAMKRC-BRSBDYLESA-N 2 0 374.485 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(CC)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001114304095 1201294007 /nfs/dbraw/zinc/29/40/07/1201294007.db2.gz KOOULSFDUHWYIW-DOEOUOAPSA-N 2 0 362.518 0.774 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412399 1201299976 /nfs/dbraw/zinc/29/99/76/1201299976.db2.gz QBQQOMFHAWLPRQ-IMJJTQAJSA-N 2 0 363.441 0.734 20 0 FCADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433639 1201313024 /nfs/dbraw/zinc/31/30/24/1201313024.db2.gz KCBODNABVSFYBN-ZACQAIPSSA-N 2 0 364.494 0.244 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857614 1201406343 /nfs/dbraw/zinc/40/63/43/1201406343.db2.gz AVXJLYUXGPVMGI-VQHPVUNQSA-N 2 0 364.494 0.385 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858040 1201406428 /nfs/dbraw/zinc/40/64/28/1201406428.db2.gz MKRIASBIQGMFFB-VQHPVUNQSA-N 2 0 364.494 0.386 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129884020 1201412724 /nfs/dbraw/zinc/41/27/24/1201412724.db2.gz GSMMNLJVDHUCLQ-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895497 1201429502 /nfs/dbraw/zinc/42/95/02/1201429502.db2.gz AMQOZNRRMAOZTM-SJORKVTESA-N 2 0 364.494 0.529 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129932156 1201434641 /nfs/dbraw/zinc/43/46/41/1201434641.db2.gz OTSNDSJFLOOWJX-XYPHTWIQSA-N 2 0 369.429 0.616 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001129918813 1201440985 /nfs/dbraw/zinc/44/09/85/1201440985.db2.gz KAWXMAOIFZIPKF-XHSDSOJGSA-N 2 0 366.510 0.775 20 0 FCADRP C[N@H+](CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C1CCCCC1 ZINC001129948886 1201447003 /nfs/dbraw/zinc/44/70/03/1201447003.db2.gz FBFAPHOXMGMDTH-SJORKVTESA-N 2 0 364.494 0.267 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129982270 1201461891 /nfs/dbraw/zinc/46/18/91/1201461891.db2.gz BXMVQQGOMRAAMK-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992264 1201471360 /nfs/dbraw/zinc/47/13/60/1201471360.db2.gz VLKDPVMTLBZKLY-UAGQMJEPSA-N 2 0 364.494 0.122 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014630 1201472249 /nfs/dbraw/zinc/47/22/49/1201472249.db2.gz WMPAECZUDRYYNJ-OAGGEKHMSA-N 2 0 366.510 0.632 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006150 1201476508 /nfs/dbraw/zinc/47/65/08/1201476508.db2.gz VVMWVJBNVJGTLD-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030664 1201481020 /nfs/dbraw/zinc/48/10/20/1201481020.db2.gz LMGQUSAOZYQGGP-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130081165 1201492183 /nfs/dbraw/zinc/49/21/83/1201492183.db2.gz AQFLHHYIJRCMQR-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086051 1201494078 /nfs/dbraw/zinc/49/40/78/1201494078.db2.gz IZMULTXBKLXBBH-DJAVDHGHSA-N 2 0 364.494 0.554 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086270 1201494132 /nfs/dbraw/zinc/49/41/32/1201494132.db2.gz SWIOPNGDXOUVKM-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001130140515 1201515893 /nfs/dbraw/zinc/51/58/93/1201515893.db2.gz YBWYFLOBOOBUON-IXDOHACOSA-N 2 0 364.494 0.122 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130305170 1201581146 /nfs/dbraw/zinc/58/11/46/1201581146.db2.gz LXCHFFBUSHYDGD-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940909 1224692169 /nfs/dbraw/zinc/69/21/69/1224692169.db2.gz IDBRGILUCGKQKH-ICSRJNTNSA-N 3 0 373.545 0.765 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]2C[C@@H](Cc3cccc(C)c3)C[NH2+]2)CC[NH2+]CC1 ZINC001220001652 1224723779 /nfs/dbraw/zinc/72/37/79/1224723779.db2.gz VGMJHJMSCIAQSQ-SJORKVTESA-N 2 0 359.470 0.927 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CC1 ZINC001220008655 1224725827 /nfs/dbraw/zinc/72/58/27/1224725827.db2.gz ABTUSDWFHGHKIZ-SQNIBIBYSA-N 2 0 358.442 0.924 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CC1 ZINC001220008654 1224725941 /nfs/dbraw/zinc/72/59/41/1224725941.db2.gz ABTUSDWFHGHKIZ-FGTMMUONSA-N 2 0 358.442 0.924 20 0 FCADRP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033791 1224733358 /nfs/dbraw/zinc/73/33/58/1224733358.db2.gz IVWKFBGNOAHGDT-YNUUFHRJSA-N 2 0 363.502 0.757 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130611605 1202730180 /nfs/dbraw/zinc/73/01/80/1202730180.db2.gz BHQGOBKUSRAKCZ-JQHSSLGASA-N 2 0 365.522 0.927 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130602674 1202731758 /nfs/dbraw/zinc/73/17/58/1202731758.db2.gz NADYKAAQCNJPGR-YQQAZPJKSA-N 2 0 369.485 0.630 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130607962 1202734277 /nfs/dbraw/zinc/73/42/77/1202734277.db2.gz USRKIERLPYIPME-CGTJXYLNSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001130632666 1202739765 /nfs/dbraw/zinc/73/97/65/1202739765.db2.gz LUWPZUPTGLLIAD-DOTOQJQBSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]CC2CCC2)c1 ZINC001130712699 1202759435 /nfs/dbraw/zinc/75/94/35/1202759435.db2.gz HUNHDGVDKPHSLO-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000806813747 1202777511 /nfs/dbraw/zinc/77/75/11/1202777511.db2.gz ANQDYACOKKKXLM-RYRKJORJSA-N 2 0 368.522 0.726 20 0 FCADRP COCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130819708 1202809085 /nfs/dbraw/zinc/80/90/85/1202809085.db2.gz FMFORFKRCBALEY-UONOGXRCSA-N 2 0 368.482 0.217 20 0 FCADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078003 1224747947 /nfs/dbraw/zinc/74/79/47/1224747947.db2.gz FLOVZQNJEYQOIA-SJORKVTESA-N 2 0 363.506 0.388 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001131025921 1202847757 /nfs/dbraw/zinc/84/77/57/1202847757.db2.gz KGUSWHFHQHBVFS-HZPDHXFCSA-N 2 0 361.490 0.579 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCOC1CCC1 ZINC001131062156 1202854312 /nfs/dbraw/zinc/85/43/12/1202854312.db2.gz ZPMVARBIUWNSBW-IAGOWNOFSA-N 2 0 363.506 0.825 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131100897 1202862914 /nfs/dbraw/zinc/86/29/14/1202862914.db2.gz BGICMYCJYYHKMK-BRWVUGGUSA-N 2 0 365.522 0.807 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108030 1202864033 /nfs/dbraw/zinc/86/40/33/1202864033.db2.gz GSRRIRCLHMEHJO-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131121460 1202865732 /nfs/dbraw/zinc/86/57/32/1202865732.db2.gz UOUYIBSJFNMUTQ-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C)OC ZINC001131121130 1202865845 /nfs/dbraw/zinc/86/58/45/1202865845.db2.gz NTUQWHWHCWHWBG-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc2)n1 ZINC001220082455 1224751297 /nfs/dbraw/zinc/75/12/97/1224751297.db2.gz ZFAVTCIUCNQCHO-IBGZPJMESA-N 2 0 370.501 0.856 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131318856 1202886899 /nfs/dbraw/zinc/88/68/99/1202886899.db2.gz UTCQBDHSZYYHLG-BBWFWOEESA-N 2 0 364.490 0.843 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000808774910 1202897935 /nfs/dbraw/zinc/89/79/35/1202897935.db2.gz FUXVMKUBNZCHFC-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131464338 1202899985 /nfs/dbraw/zinc/89/99/85/1202899985.db2.gz NCLVXPTXBZKXMA-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1)C(N)=O ZINC001131587808 1202916347 /nfs/dbraw/zinc/91/63/47/1202916347.db2.gz AXCXHDRGTVJIFD-JZXOWHBKSA-N 2 0 368.522 0.578 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131582980 1202917955 /nfs/dbraw/zinc/91/79/55/1202917955.db2.gz JNVQHKPZTHOUSW-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1 ZINC001131597174 1202919670 /nfs/dbraw/zinc/91/96/70/1202919670.db2.gz PIOKAHDFFQCOBO-NUJGCVRESA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813322730 1202992751 /nfs/dbraw/zinc/99/27/51/1202992751.db2.gz HADNGJIORKBSEG-CYBMUJFWSA-N 2 0 359.474 0.893 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)[C@@H](c2ccccc2)C1 ZINC001134126213 1203015430 /nfs/dbraw/zinc/01/54/30/1203015430.db2.gz FKUBLICMLQPFNH-CVEARBPZSA-N 2 0 371.441 0.664 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126212 1203015759 /nfs/dbraw/zinc/01/57/59/1203015759.db2.gz FJTQVIDKILPYHU-MSOLQXFVSA-N 2 0 360.502 0.904 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1)c1nnnn1C ZINC001086744786 1203068542 /nfs/dbraw/zinc/06/85/42/1203068542.db2.gz LIBUYMXQVFQPMH-QLFBSQMISA-N 2 0 361.494 0.774 20 0 FCADRP CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086792688 1203094751 /nfs/dbraw/zinc/09/47/51/1203094751.db2.gz FJQCKQPQWHZGAO-GOEBONIOSA-N 2 0 363.510 0.970 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001170875131 1203113832 /nfs/dbraw/zinc/11/38/32/1203113832.db2.gz UUOLNIVWUXJKBW-IAGOWNOFSA-N 2 0 360.458 0.813 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000817926244 1203126654 /nfs/dbraw/zinc/12/66/54/1203126654.db2.gz BUNHYOJMFHAXBM-HXUWFJFHSA-N 2 0 360.502 0.817 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2[NH2+]CCO)cc1 ZINC001090872513 1203326201 /nfs/dbraw/zinc/32/62/01/1203326201.db2.gz MFETYRFNAPTRPX-DQEVTTJGSA-N 2 0 361.486 0.912 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000844190948 1203338671 /nfs/dbraw/zinc/33/86/71/1203338671.db2.gz GSRWOVSVZUYJAN-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161183 1224790978 /nfs/dbraw/zinc/79/09/78/1224790978.db2.gz ABRGABZKPPOKBB-ZWOKBUDYSA-N 2 0 358.486 0.711 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CN(C)C(N)=[NH2+])CC2)c1 ZINC001144144220 1204425504 /nfs/dbraw/zinc/42/55/04/1204425504.db2.gz ZANIJCOPBIRCNY-UHFFFAOYSA-N 2 0 361.446 0.379 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220335040 1224832128 /nfs/dbraw/zinc/83/21/28/1224832128.db2.gz GWRNHFYNBBABKH-AEFFLSMTSA-N 2 0 360.502 0.909 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000846279074 1204608451 /nfs/dbraw/zinc/60/84/51/1204608451.db2.gz YBYGNUNVPLOTGU-CALCHBBNSA-N 2 0 370.538 0.648 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220356472 1224841195 /nfs/dbraw/zinc/84/11/95/1224841195.db2.gz AGRCXIVMUUPHPG-WCXIOVBPSA-N 2 0 361.442 0.142 20 0 FCADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220356937 1224841666 /nfs/dbraw/zinc/84/16/66/1224841666.db2.gz GLBICNKLGUHPJM-YYIAUSFCSA-N 2 0 361.442 0.536 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358017 1224842296 /nfs/dbraw/zinc/84/22/96/1224842296.db2.gz OGWKIQBPONOHOE-LUKYLMHMSA-N 2 0 360.458 0.109 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358667 1224842668 /nfs/dbraw/zinc/84/26/68/1224842668.db2.gz WBRSVJMGMSSQKY-QZWWFDLISA-N 2 0 360.458 0.251 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001144934343 1204660637 /nfs/dbraw/zinc/66/06/37/1204660637.db2.gz XZLYEARQZDYCFN-AEFFLSMTSA-N 2 0 371.485 0.982 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543133 1204708233 /nfs/dbraw/zinc/70/82/33/1204708233.db2.gz CVYNRRRLOSOEAO-SYNHAJSKSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]Cc1ccc2c(n1)N(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CCC2 ZINC001220376948 1224849206 /nfs/dbraw/zinc/84/92/06/1224849206.db2.gz FIBWTULQHZNMRK-KRWDZBQOSA-N 2 0 367.453 0.506 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666605 1204812945 /nfs/dbraw/zinc/81/29/45/1204812945.db2.gz CJMLHXAPDZVTAC-AOIWGVFYSA-N 2 0 360.506 0.931 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091680241 1204820652 /nfs/dbraw/zinc/82/06/52/1204820652.db2.gz ZSPIITHFSPEISF-MDZRGWNJSA-N 2 0 363.506 0.874 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735257 1204836100 /nfs/dbraw/zinc/83/61/00/1204836100.db2.gz NWLNURLWMUNNSU-CLCXKQKWSA-N 2 0 362.518 0.918 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001086855285 1204850350 /nfs/dbraw/zinc/85/03/50/1204850350.db2.gz QRMBFGXASNDGLU-LZWOXQAQSA-N 2 0 359.474 0.914 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086881558 1204856574 /nfs/dbraw/zinc/85/65/74/1204856574.db2.gz ALKHEHPAYZGDLL-WMLDXEAASA-N 2 0 371.489 0.960 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)ccc2c[nH+]cn21 ZINC001086985381 1204879871 /nfs/dbraw/zinc/87/98/71/1204879871.db2.gz HEZBZZKIEGJMCP-ZWKOTPCHSA-N 2 0 368.441 0.566 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087009814 1204897452 /nfs/dbraw/zinc/89/74/52/1204897452.db2.gz ZJTBVPBYDRPTPC-RYQLBKOJSA-N 2 0 363.506 0.682 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087035107 1204910680 /nfs/dbraw/zinc/91/06/80/1204910680.db2.gz MCBNWSIFHIBCDK-DJIMGWMZSA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087059671 1204944754 /nfs/dbraw/zinc/94/47/54/1204944754.db2.gz PLJAOVIFBPETJO-DJIMGWMZSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059810 1204944805 /nfs/dbraw/zinc/94/48/05/1204944805.db2.gz WIGDPAYWEUXBCV-NXHRZFHOSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087060872 1204946936 /nfs/dbraw/zinc/94/69/36/1204946936.db2.gz CFNNFAGCYHTSBJ-INMHGKMJSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087063274 1204950480 /nfs/dbraw/zinc/95/04/80/1204950480.db2.gz PZRATVZNWYWSJA-IXDOHACOSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087066718 1204954868 /nfs/dbraw/zinc/95/48/68/1204954868.db2.gz QLRSIOKKZGULFJ-DJIMGWMZSA-N 2 0 371.441 0.290 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087067835 1204955527 /nfs/dbraw/zinc/95/55/27/1204955527.db2.gz XOIOLOWYXZJILI-SYJBPTKTSA-N 2 0 363.502 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083403 1204970965 /nfs/dbraw/zinc/97/09/65/1204970965.db2.gz CHTFBIJBLDQMJB-BZUAXINKSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087079432 1204989910 /nfs/dbraw/zinc/98/99/10/1204989910.db2.gz OUKJNPNLNOCVMD-QZTJIDSGSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001087101633 1204999845 /nfs/dbraw/zinc/99/98/45/1204999845.db2.gz UFOOBWWNDCUXAG-NUEKZKHPSA-N 2 0 364.494 0.723 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001087101632 1205000150 /nfs/dbraw/zinc/00/01/50/1205000150.db2.gz UFOOBWWNDCUXAG-FVQBIDKESA-N 2 0 364.494 0.723 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087102510 1205000672 /nfs/dbraw/zinc/00/06/72/1205000672.db2.gz HFZZYCPNBRHSJH-DJIMGWMZSA-N 2 0 365.478 0.897 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@]3(C)C2)C1=O ZINC001091856461 1205052083 /nfs/dbraw/zinc/05/20/83/1205052083.db2.gz ROMLTTSQZYQTTQ-SYNHAJSKSA-N 2 0 367.453 0.959 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953504 1205090173 /nfs/dbraw/zinc/09/01/73/1205090173.db2.gz LQNXJGFAOLZCOY-LJCCNALRSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010795 1205112542 /nfs/dbraw/zinc/11/25/42/1205112542.db2.gz LOKMELRGZBFSQZ-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC1 ZINC001092070899 1205133720 /nfs/dbraw/zinc/13/37/20/1205133720.db2.gz BPSMCTLUVKEWBZ-UZLBHIALSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071567 1205134450 /nfs/dbraw/zinc/13/44/50/1205134450.db2.gz BBKTXZDYSWAVKQ-VPWXQRGCSA-N 2 0 364.534 0.975 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087683 1205139295 /nfs/dbraw/zinc/13/92/95/1205139295.db2.gz KCFHGIWPWFJGIY-WDYCEAGBSA-N 2 0 363.506 0.874 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273456 1205220434 /nfs/dbraw/zinc/22/04/34/1205220434.db2.gz NZFBIRKNCJUIOE-QINHECLXSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001092299726 1205233220 /nfs/dbraw/zinc/23/32/20/1205233220.db2.gz FVTYHLXYVKAVDU-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092503984 1205296214 /nfs/dbraw/zinc/29/62/14/1205296214.db2.gz FWPZMISMSUDDND-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611498 1205313227 /nfs/dbraw/zinc/31/32/27/1205313227.db2.gz YITBOQQJWYSXIW-DJIMGWMZSA-N 2 0 363.506 0.038 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774484 1205353707 /nfs/dbraw/zinc/35/37/07/1205353707.db2.gz PBSNRLGNFNPFON-KFWWJZLASA-N 2 0 362.474 0.104 20 0 FCADRP [NH3+][C@H](CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O)c1ccccc1 ZINC001220504067 1224894678 /nfs/dbraw/zinc/89/46/78/1224894678.db2.gz QXMFAPMVKSOGGR-KSZLIROESA-N 2 0 350.422 0.915 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CNCCC[NH3+])cc2)CC1 ZINC001220516021 1224900304 /nfs/dbraw/zinc/90/03/04/1224900304.db2.gz OWHPRBPIIUJBEF-QQFBHYJXSA-N 2 0 361.490 0.648 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)CC[NH2+]C1 ZINC001220523239 1224905354 /nfs/dbraw/zinc/90/53/54/1224905354.db2.gz KXKOIRQNRAQYHI-AWEZNQCLSA-N 2 0 357.414 0.359 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533971 1224910941 /nfs/dbraw/zinc/91/09/41/1224910941.db2.gz VCZVSMAJUSJTOL-WOJBJXKFSA-N 2 0 371.481 0.876 20 0 FCADRP [NH3+]CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C12CC3CC(CC(C3)C1)C2 ZINC001220538513 1224913602 /nfs/dbraw/zinc/91/36/02/1224913602.db2.gz RHVKRMZZZDIFAR-LMFLDHGRSA-N 3 0 363.550 0.493 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134193 1206032154 /nfs/dbraw/zinc/03/21/54/1206032154.db2.gz XPWRDZCEMDPFPR-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CCC([NH2+]CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001093399489 1206077923 /nfs/dbraw/zinc/07/79/23/1206077923.db2.gz GEEQYJPDQCCBRH-YJTLQXIOSA-N 2 0 366.506 0.332 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460184 1206083494 /nfs/dbraw/zinc/08/34/94/1206083494.db2.gz QGNDHOYXEFETLC-WWNBULGVSA-N 2 0 367.534 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093770388 1206112977 /nfs/dbraw/zinc/11/29/77/1206112977.db2.gz NJCZQQBEKXDSFX-HUUCEWRRSA-N 2 0 363.510 0.659 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001093778044 1206122936 /nfs/dbraw/zinc/12/29/36/1206122936.db2.gz FLXSTENTKNHOBX-BRWVUGGUSA-N 2 0 363.506 0.779 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093820898 1206123175 /nfs/dbraw/zinc/12/31/75/1206123175.db2.gz QQVRCDMMIWFPOA-BRWVUGGUSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093821125 1206123447 /nfs/dbraw/zinc/12/34/47/1206123447.db2.gz SQVPCBXOMGVFBL-BZUAXINKSA-N 2 0 360.506 0.934 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001093839357 1206129015 /nfs/dbraw/zinc/12/90/15/1206129015.db2.gz LBALTPPJBROTIM-CPUCHLNUSA-N 2 0 367.494 0.986 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093860740 1206136338 /nfs/dbraw/zinc/13/63/38/1206136338.db2.gz RCMBCICCPMLPEY-HUUCEWRRSA-N 2 0 365.478 0.612 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)c1nnnn1C ZINC001093890816 1206145526 /nfs/dbraw/zinc/14/55/26/1206145526.db2.gz VDGCMRZBNBELIT-QLFBSQMISA-N 2 0 361.494 0.584 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001094040979 1206174258 /nfs/dbraw/zinc/17/42/58/1206174258.db2.gz RLYNIOQMGLDVPF-OWCLPIDISA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)C1 ZINC001094042429 1206174273 /nfs/dbraw/zinc/17/42/73/1206174273.db2.gz URULYIPJFDSWEC-RBSFLKMASA-N 2 0 364.494 0.662 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1)[NH+](C)C ZINC001094049146 1206175987 /nfs/dbraw/zinc/17/59/87/1206175987.db2.gz JHRIOVSOVNIDJE-KFWWJZLASA-N 2 0 364.494 0.333 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001094049079 1206175996 /nfs/dbraw/zinc/17/59/96/1206175996.db2.gz FBHGNHJQWDUXKE-OAGGEKHMSA-N 2 0 365.526 0.998 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)c1nnnn1C ZINC001094088583 1206182064 /nfs/dbraw/zinc/18/20/64/1206182064.db2.gz BGYLFVFCRZHGAN-IIAWOOMASA-N 2 0 363.510 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094130975 1206189834 /nfs/dbraw/zinc/18/98/34/1206189834.db2.gz GOBUUGPABBWZTL-HUUCEWRRSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094130992 1206189886 /nfs/dbraw/zinc/18/98/86/1206189886.db2.gz HWPLOXLNTJOIHE-OAGGEKHMSA-N 2 0 364.490 0.208 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)nn1 ZINC001094169587 1206198255 /nfs/dbraw/zinc/19/82/55/1206198255.db2.gz QPWWQOQCRPNWPX-HUUCEWRRSA-N 2 0 359.474 0.765 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220565151 1224935004 /nfs/dbraw/zinc/93/50/04/1224935004.db2.gz KFDYJODGFCZIRJ-JKSUJKDBSA-N 2 0 360.458 0.546 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094219183 1206202684 /nfs/dbraw/zinc/20/26/84/1206202684.db2.gz GAHMHOAMKILRNW-MGPQQGTHSA-N 2 0 370.448 0.679 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1=O ZINC001094220843 1206203539 /nfs/dbraw/zinc/20/35/39/1206203539.db2.gz YUUZXURJXADERB-RBSFLKMASA-N 2 0 363.458 0.784 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094223059 1206203661 /nfs/dbraw/zinc/20/36/61/1206203661.db2.gz QOTQDZFXBWNURH-GDBMZVCRSA-N 2 0 360.506 0.972 20 0 FCADRP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001171718244 1206251385 /nfs/dbraw/zinc/25/13/85/1206251385.db2.gz RUCCNKDAQKJNHC-AWEZNQCLSA-N 2 0 368.478 0.618 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039497 1206255588 /nfs/dbraw/zinc/25/55/88/1206255588.db2.gz IRJFUHPIPGOLRM-IXDOHACOSA-N 2 0 366.506 0.108 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CCC2 ZINC001173763327 1206288407 /nfs/dbraw/zinc/28/84/07/1206288407.db2.gz QQDCZHXMIXONDO-HOTGVXAUSA-N 2 0 372.477 0.681 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCCCC[NH2+]CC(N)=O)CC1 ZINC001178513394 1206357896 /nfs/dbraw/zinc/35/78/96/1206357896.db2.gz KNFQKDNFLQJDHE-AEFFLSMTSA-N 2 0 368.522 0.485 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001178518392 1206358427 /nfs/dbraw/zinc/35/84/27/1206358427.db2.gz OMALEWYAUPPCJZ-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178730804 1206363658 /nfs/dbraw/zinc/36/36/58/1206363658.db2.gz DQMDPZSGLVVSLI-WTTBNOFXSA-N 2 0 366.506 0.201 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCNC(C)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178736558 1206364057 /nfs/dbraw/zinc/36/40/57/1206364057.db2.gz WOXCPBYWHQHZAA-LEUOFYLZSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001178997861 1206370471 /nfs/dbraw/zinc/37/04/71/1206370471.db2.gz UUCMDCPMEIYJHA-QGZVFWFLSA-N 2 0 361.490 0.951 20 0 FCADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])O2 ZINC001179138757 1206375412 /nfs/dbraw/zinc/37/54/12/1206375412.db2.gz KSBIIZBWVZIAMN-LBPRGKRZSA-N 2 0 369.466 0.616 20 0 FCADRP C[N@H+](CC(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)C1CCCC1 ZINC001180628527 1206397022 /nfs/dbraw/zinc/39/70/22/1206397022.db2.gz TWWVQDROSJVSFS-UHFFFAOYSA-N 2 0 374.533 0.847 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@H]2CN(C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001180758196 1206398551 /nfs/dbraw/zinc/39/85/51/1206398551.db2.gz AGDBNNFGQUNNMJ-APWZRJJASA-N 2 0 361.442 0.251 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001181994778 1206418403 /nfs/dbraw/zinc/41/84/03/1206418403.db2.gz SLTHHMBVUJGBSC-GOSISDBHSA-N 2 0 361.490 0.818 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001182017711 1206419928 /nfs/dbraw/zinc/41/99/28/1206419928.db2.gz RIXIYLWBVRHDAY-GOSISDBHSA-N 2 0 370.497 0.965 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684986 1206442293 /nfs/dbraw/zinc/44/22/93/1206442293.db2.gz XSCVLIYFJSJHSH-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000774782469 1206473238 /nfs/dbraw/zinc/47/32/38/1206473238.db2.gz WUKMGPOLKVOZRM-OKZBNKHCSA-N 2 0 374.485 0.385 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273512234 1206489510 /nfs/dbraw/zinc/48/95/10/1206489510.db2.gz RHXNHIHKKLIKIL-WNRNVDISSA-N 2 0 360.502 0.624 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001186039612 1206491127 /nfs/dbraw/zinc/49/11/27/1206491127.db2.gz YUJFKVWXKAUCRG-QGZVFWFLSA-N 2 0 367.490 0.319 20 0 FCADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(CC[NH+](Cc3cccnc3)C2)CC1 ZINC001186039313 1206492025 /nfs/dbraw/zinc/49/20/25/1206492025.db2.gz WXTVKPSQHNXXNL-GOSISDBHSA-N 2 0 358.486 0.963 20 0 FCADRP CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001187406460 1206523536 /nfs/dbraw/zinc/52/35/36/1206523536.db2.gz PGFLPZLHACUGLA-STQMWFEESA-N 2 0 371.482 0.862 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220643275 1224982618 /nfs/dbraw/zinc/98/26/18/1224982618.db2.gz YDQLIGCLHCOSJP-SQNIBIBYSA-N 2 0 369.506 0.074 20 0 FCADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651283 1224990354 /nfs/dbraw/zinc/99/03/54/1224990354.db2.gz IUMRTRLTGHESKC-SFHVURJKSA-N 2 0 354.454 0.988 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001187944497 1207403668 /nfs/dbraw/zinc/40/36/68/1207403668.db2.gz JPGDPTIDZPGVOR-OKZBNKHCSA-N 2 0 360.502 0.387 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220654229 1224994695 /nfs/dbraw/zinc/99/46/95/1224994695.db2.gz KAOASEBIOGNNPU-AZUAARDMSA-N 2 0 371.529 0.929 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001189786585 1207600737 /nfs/dbraw/zinc/60/07/37/1207600737.db2.gz FVYPZRZRRHNYCU-HLLBOEOZSA-N 2 0 361.490 0.752 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801311 1207610315 /nfs/dbraw/zinc/61/03/15/1207610315.db2.gz CRHLWMGWPPYXIL-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP CCN(C(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189801808 1207610358 /nfs/dbraw/zinc/61/03/58/1207610358.db2.gz NYIVXTVTBFFKNN-DOTOQJQBSA-N 2 0 360.502 0.626 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690769 /nfs/dbraw/zinc/69/07/69/1207690769.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 0 358.486 0.915 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C(=O)n3c(C)ncc(C[NH3+])c3=N)cc2)CC1 ZINC001190857833 1207732598 /nfs/dbraw/zinc/73/25/98/1207732598.db2.gz QPHLVDHDNVGECG-UHFFFAOYSA-N 2 0 368.485 0.956 20 0 FCADRP CCCCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068406 1207856710 /nfs/dbraw/zinc/85/67/10/1207856710.db2.gz SBPFOAYGCDCHNB-IAGOWNOFSA-N 2 0 367.494 0.036 20 0 FCADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068424 1207856753 /nfs/dbraw/zinc/85/67/53/1207856753.db2.gz SMZPKQAHSNFCRV-KBAYOESNSA-N 2 0 365.522 0.902 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(CCOc3ccccc3F)C[C@H]2O)CCC1 ZINC001193773672 1207887860 /nfs/dbraw/zinc/88/78/60/1207887860.db2.gz BLDCSTMARWSTKO-HZPDHXFCSA-N 2 0 365.449 0.850 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821839 1207892676 /nfs/dbraw/zinc/89/26/76/1207892676.db2.gz SWZVRWTYBCZCIK-IPMKNSEASA-N 2 0 361.486 0.236 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001273666115 1207894052 /nfs/dbraw/zinc/89/40/52/1207894052.db2.gz GTFFVTNKTKFMGG-INIZCTEOSA-N 2 0 366.506 0.251 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289277 1207934172 /nfs/dbraw/zinc/93/41/72/1207934172.db2.gz HAWDEUVXWYJERL-KZNAEPCWSA-N 2 0 362.474 0.638 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001195972448 1208048749 /nfs/dbraw/zinc/04/87/49/1208048749.db2.gz FMOSQNFSHMAEFP-JFIYKMOQSA-N 2 0 370.538 0.379 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O)[NH+](C)C ZINC001195972609 1208048763 /nfs/dbraw/zinc/04/87/63/1208048763.db2.gz GLZZMDYQVAVBTA-JFIYKMOQSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184880 1208064713 /nfs/dbraw/zinc/06/47/13/1208064713.db2.gz JKOBSPGVRGRXRX-ATZDWAIDSA-N 2 0 363.502 0.727 20 0 FCADRP COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC001196789762 1208106337 /nfs/dbraw/zinc/10/63/37/1208106337.db2.gz NILXCULTLWKFLT-CVEARBPZSA-N 2 0 374.485 0.976 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197018484 1208132040 /nfs/dbraw/zinc/13/20/40/1208132040.db2.gz VCIZYOKNJZQYBU-KZNAEPCWSA-N 2 0 365.522 0.490 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319373 1208152235 /nfs/dbraw/zinc/15/22/35/1208152235.db2.gz BVNWRUBBRZWCOF-CGTJXYLNSA-N 2 0 369.506 0.218 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001197294502 1208154097 /nfs/dbraw/zinc/15/40/97/1208154097.db2.gz AAMLFWJCXXBDAA-PVAVHDDUSA-N 2 0 369.473 0.768 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197767148 1208194952 /nfs/dbraw/zinc/19/49/52/1208194952.db2.gz HXRMGGWONMZFRJ-UHFFFAOYSA-N 2 0 363.506 0.999 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755290 1225056729 /nfs/dbraw/zinc/05/67/29/1225056729.db2.gz KIWRXTLAKCUVLL-OTWHNJEPSA-N 2 0 361.486 0.706 20 0 FCADRP C[C@H](NC(=O)C(F)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000867306499 1208329249 /nfs/dbraw/zinc/32/92/49/1208329249.db2.gz MPIAKMFRCYPBBT-KBPBESRZSA-N 2 0 366.481 0.858 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220770944 1225064410 /nfs/dbraw/zinc/06/44/10/1225064410.db2.gz BFJNYYBVWHANCL-MSOLQXFVSA-N 2 0 359.470 0.713 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001110569348 1208462723 /nfs/dbraw/zinc/46/27/23/1208462723.db2.gz KZNCRPGMEHVSLR-TVFCKZIOSA-N 2 0 360.502 0.576 20 0 FCADRP [NH3+]C1(C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)CCC2(CC1)OCCO2 ZINC001220789012 1225074326 /nfs/dbraw/zinc/07/43/26/1225074326.db2.gz IJGWJODLTOWWOQ-CVEARBPZSA-N 2 0 360.458 0.863 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220802957 1225081210 /nfs/dbraw/zinc/08/12/10/1225081210.db2.gz AKTSVEGUNSILLQ-MJBXVCDLSA-N 2 0 372.391 0.329 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2CC[NH+](Cc3ccccn3)CC2)C[NH2+]C1 ZINC001220826026 1225091097 /nfs/dbraw/zinc/09/10/97/1225091097.db2.gz YECBLDBEBUZQCL-UHFFFAOYSA-N 2 0 358.442 0.830 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220828569 1225092078 /nfs/dbraw/zinc/09/20/78/1225092078.db2.gz ALKCUXCWYLKWSO-CABCVRRESA-N 2 0 363.462 0.063 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001220855422 1225110065 /nfs/dbraw/zinc/11/00/65/1225110065.db2.gz XRMDZWCSOBQUSI-UZLBHIALSA-N 2 0 350.422 0.871 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C[NH3+] ZINC001220855423 1225110840 /nfs/dbraw/zinc/11/08/40/1225110840.db2.gz XSBNXUYOHHWYDK-IRXDYDNUSA-N 3 0 361.490 0.209 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000850828448 1209491797 /nfs/dbraw/zinc/49/17/97/1209491797.db2.gz MFOXOXMUMVJPGE-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000851688898 1209514230 /nfs/dbraw/zinc/51/42/30/1209514230.db2.gz GKTJQHPWUNNUOZ-GOSISDBHSA-N 2 0 373.501 0.607 20 0 FCADRP O=C1OCCN1[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437188 1209549378 /nfs/dbraw/zinc/54/93/78/1209549378.db2.gz VEWMFMQSJAEIOP-IYBDPMFKSA-N 2 0 366.462 0.820 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935914 1225148854 /nfs/dbraw/zinc/14/88/54/1225148854.db2.gz ANKVPYZTUQOQQB-ZWKOTPCHSA-N 2 0 358.486 0.203 20 0 FCADRP Cn1cc([C@@H](O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000857443215 1209752899 /nfs/dbraw/zinc/75/28/99/1209752899.db2.gz AAUUULVDWBTFLJ-QGZVFWFLSA-N 2 0 358.446 0.177 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000861541046 1209870650 /nfs/dbraw/zinc/87/06/50/1209870650.db2.gz UAMDYPQCVVQZQI-CQSZACIVSA-N 2 0 361.490 0.961 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000861736306 1209878135 /nfs/dbraw/zinc/87/81/35/1209878135.db2.gz VTEPNPBZNKTPOT-HNNXBMFYSA-N 2 0 362.474 0.583 20 0 FCADRP C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861913110 1209888386 /nfs/dbraw/zinc/88/83/86/1209888386.db2.gz ZGNNKACNWVMNNM-WHPLQULLSA-N 2 0 362.518 0.295 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](F)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000864962363 1209968771 /nfs/dbraw/zinc/96/87/71/1209968771.db2.gz LDNHIDPRDWZKOG-HALDLXJZSA-N 2 0 366.481 0.526 20 0 FCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000866540861 1209998344 /nfs/dbraw/zinc/99/83/44/1209998344.db2.gz SFVQLDGNDKEIFD-AIDNBVJZSA-N 2 0 366.481 0.522 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982587 1225173758 /nfs/dbraw/zinc/17/37/58/1225173758.db2.gz IEPJHQFITWHWKP-QGZVFWFLSA-N 3 0 363.481 0.353 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215004 1210044297 /nfs/dbraw/zinc/04/42/97/1210044297.db2.gz AFENMDJMTUBRTB-QZTJIDSGSA-N 2 0 365.522 0.271 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868309762 1210050909 /nfs/dbraw/zinc/05/09/09/1210050909.db2.gz MEDMYEJNSHGSIM-UHFFFAOYSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)CC1 ZINC001221006172 1225183195 /nfs/dbraw/zinc/18/31/95/1225183195.db2.gz BIDNAQFWXSUOGE-ZOBUZTSGSA-N 2 0 362.474 0.367 20 0 FCADRP CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000872194681 1210178058 /nfs/dbraw/zinc/17/80/58/1210178058.db2.gz JAEAOILWUGWSKX-IRXDYDNUSA-N 2 0 362.449 0.981 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C1([NH3+])CC(F)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072666 1225209857 /nfs/dbraw/zinc/20/98/57/1225209857.db2.gz MSHXAAUWZZEIQF-IDPGKSQFSA-N 2 0 373.469 0.234 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876777353 1210428575 /nfs/dbraw/zinc/42/85/75/1210428575.db2.gz VYNAPXMGBWLFOV-IRXDYDNUSA-N 2 0 361.490 0.910 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000876781530 1210430022 /nfs/dbraw/zinc/43/00/22/1210430022.db2.gz HWEXULWWCDBGRZ-RDJZCZTQSA-N 2 0 362.522 0.729 20 0 FCADRP O=C(NCc1ccc(OCC2CCOCC2)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221078503 1225212674 /nfs/dbraw/zinc/21/26/74/1225212674.db2.gz IHZIXPPCSCNYQK-SFHVURJKSA-N 2 0 359.470 0.917 20 0 FCADRP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089843 1225216231 /nfs/dbraw/zinc/21/62/31/1225216231.db2.gz RCHHXZVZSYOVOB-QRVBRYPASA-N 2 0 363.502 0.746 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)CC1 ZINC000879992886 1210509706 /nfs/dbraw/zinc/50/97/06/1210509706.db2.gz MUETXQWZQKJUGW-GOSISDBHSA-N 2 0 366.550 0.756 20 0 FCADRP CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)CC[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311332 1210527834 /nfs/dbraw/zinc/52/78/34/1210527834.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 2 0 362.518 0.585 20 0 FCADRP COc1cccc(C2(NC(=O)[C@H]3C[NH2+]C[C@H]3OC(C)=O)CC[NH2+]CC2)c1 ZINC001221096469 1225222582 /nfs/dbraw/zinc/22/25/82/1225222582.db2.gz VMAHTGGUXIOGJH-DLBZAZTESA-N 2 0 361.442 0.541 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2CC)ccn1 ZINC000882487264 1210622396 /nfs/dbraw/zinc/62/23/96/1210622396.db2.gz UFOIIZZFMQCELV-CVEARBPZSA-N 2 0 359.474 0.730 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001221112347 1225226785 /nfs/dbraw/zinc/22/67/85/1225226785.db2.gz RBGWFHFLHPATGY-HNNXBMFYSA-N 2 0 354.458 0.435 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604025 1210673172 /nfs/dbraw/zinc/67/31/72/1210673172.db2.gz KQUZGIGSWLTWFO-SJLPKXTDSA-N 2 0 371.485 0.730 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883604904 1210673462 /nfs/dbraw/zinc/67/34/62/1210673462.db2.gz HHUCTWLGWKAENX-QAPCUYQASA-N 2 0 371.485 0.730 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC([NH3+])C1 ZINC000883609019 1210674272 /nfs/dbraw/zinc/67/42/72/1210674272.db2.gz MISZEPPDWBDRQP-GMXGEUMGSA-N 2 0 371.485 0.858 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221123873 1225230037 /nfs/dbraw/zinc/23/00/37/1225230037.db2.gz NIPRKSBZRKGACZ-ROUUACIJSA-N 2 0 357.502 0.993 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611949 1210675033 /nfs/dbraw/zinc/67/50/33/1210675033.db2.gz OKYQNMKGJXHKSB-QGZVFWFLSA-N 2 0 359.474 0.717 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221123874 1225230071 /nfs/dbraw/zinc/23/00/71/1225230071.db2.gz NIPRKSBZRKGACZ-ZWKOTPCHSA-N 2 0 357.502 0.993 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883612109 1210675277 /nfs/dbraw/zinc/67/52/77/1210675277.db2.gz SLXCODKXKDWHFD-SZMVWBNQSA-N 2 0 369.469 0.482 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCN1c1cc[nH+]cc1 ZINC000883641308 1210677633 /nfs/dbraw/zinc/67/76/33/1210677633.db2.gz LMNQNXZCCDATNC-BEFAXECRSA-N 2 0 357.458 0.473 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000883640754 1210677848 /nfs/dbraw/zinc/67/78/48/1210677848.db2.gz YAMNEASLOVKJBI-PMPSAXMXSA-N 2 0 359.474 0.562 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000889333033 1210703431 /nfs/dbraw/zinc/70/34/31/1210703431.db2.gz RGJCLSHIOCRVLM-JKSUJKDBSA-N 2 0 370.542 0.020 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000884016774 1210709927 /nfs/dbraw/zinc/70/99/27/1210709927.db2.gz DNOOWIFAAKUCMF-INIZCTEOSA-N 2 0 374.485 0.569 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884223218 1210724396 /nfs/dbraw/zinc/72/43/96/1210724396.db2.gz KZOHWLQMOBJEJL-MRXNPFEDSA-N 2 0 373.501 0.722 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000884233742 1210724953 /nfs/dbraw/zinc/72/49/53/1210724953.db2.gz XURGDLKCKCJGSE-UHFFFAOYSA-N 2 0 352.442 0.849 20 0 FCADRP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C[NH+]1CCN(C)CC1 ZINC000884235464 1210725638 /nfs/dbraw/zinc/72/56/38/1210725638.db2.gz VVSHKGMUDNTBDH-INIZCTEOSA-N 2 0 360.506 0.105 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884436022 1210735283 /nfs/dbraw/zinc/73/52/83/1210735283.db2.gz RNCBCOULQVWTOV-UHFFFAOYSA-N 2 0 373.501 0.818 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000884445898 1210735698 /nfs/dbraw/zinc/73/56/98/1210735698.db2.gz AFKPSFHIJKCRNN-SFHVURJKSA-N 2 0 373.501 0.722 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H]1C[NH+](C)C ZINC000884453249 1210736426 /nfs/dbraw/zinc/73/64/26/1210736426.db2.gz JTLMJEIJMAVKAP-QZTJIDSGSA-N 3 0 374.533 0.303 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884490560 1210738314 /nfs/dbraw/zinc/73/83/14/1210738314.db2.gz ACFCEYHIGOFOHP-OAGGEKHMSA-N 2 0 366.506 0.250 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494200 1210739197 /nfs/dbraw/zinc/73/91/97/1210739197.db2.gz MZMOBISWRRHASN-HUUCEWRRSA-N 2 0 374.476 0.832 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884509403 1210741790 /nfs/dbraw/zinc/74/17/90/1210741790.db2.gz FLIJUDRGHBJLCH-HLLBOEOZSA-N 2 0 373.501 0.776 20 0 FCADRP CCN(C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884513628 1210742173 /nfs/dbraw/zinc/74/21/73/1210742173.db2.gz NFWXZUDNTDTIES-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000884553611 1210748702 /nfs/dbraw/zinc/74/87/02/1210748702.db2.gz CQIBPKSHKGAIFW-OIISXLGYSA-N 2 0 358.486 0.804 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000884566113 1210753036 /nfs/dbraw/zinc/75/30/36/1210753036.db2.gz BRNFIPUUXUJMNH-GOSISDBHSA-N 2 0 372.513 0.802 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000884578149 1210755260 /nfs/dbraw/zinc/75/52/60/1210755260.db2.gz UTMDZBWUVWUPPV-BPQIPLTHSA-N 2 0 373.501 0.039 20 0 FCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884592449 1210758144 /nfs/dbraw/zinc/75/81/44/1210758144.db2.gz OCOXBGVLUHSGHL-NQYYFHDYSA-N 2 0 370.497 0.976 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884601574 1210759803 /nfs/dbraw/zinc/75/98/03/1210759803.db2.gz PQKJMVMSVLNVEW-OTWHNJEPSA-N 2 0 370.497 0.978 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884603115 1210759824 /nfs/dbraw/zinc/75/98/24/1210759824.db2.gz BYOSYGBJNJGIHX-BEFAXECRSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604595 1210761172 /nfs/dbraw/zinc/76/11/72/1210761172.db2.gz LOSQIVIINBXSEC-QUJKESNLSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000884607945 1210762129 /nfs/dbraw/zinc/76/21/29/1210762129.db2.gz IQGHTRXTEGDELA-GJZGRUSLSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000884607946 1210762232 /nfs/dbraw/zinc/76/22/32/1210762232.db2.gz IQGHTRXTEGDELA-HUUCEWRRSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@H+](C)CC1 ZINC000884623502 1210764654 /nfs/dbraw/zinc/76/46/54/1210764654.db2.gz FVNWWKPCRSIRII-GDBMZVCRSA-N 2 0 364.490 0.028 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@H+](C)CC1 ZINC000884623503 1210765015 /nfs/dbraw/zinc/76/50/15/1210765015.db2.gz FVNWWKPCRSIRII-GOEBONIOSA-N 2 0 364.490 0.028 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626710 1210765989 /nfs/dbraw/zinc/76/59/89/1210765989.db2.gz SBVMXLLGKGFPSR-XHSDSOJGSA-N 2 0 364.490 0.004 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627631 1210766495 /nfs/dbraw/zinc/76/64/95/1210766495.db2.gz WSENSWGJCJELCI-DLBZAZTESA-N 2 0 358.486 0.663 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000884630095 1210767510 /nfs/dbraw/zinc/76/75/10/1210767510.db2.gz YERAUBHYRVSRPS-HOTGVXAUSA-N 2 0 360.458 0.206 20 0 FCADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884635305 1210768859 /nfs/dbraw/zinc/76/88/59/1210768859.db2.gz RZYHVEVZWBJEFR-YIOUJQMASA-N 2 0 374.407 0.481 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C[NH3+] ZINC000884632697 1210768936 /nfs/dbraw/zinc/76/89/36/1210768936.db2.gz YTMMIMCEMZPTSU-GDBMZVCRSA-N 2 0 359.474 0.467 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000884646440 1210772415 /nfs/dbraw/zinc/77/24/15/1210772415.db2.gz SLOVIDYFRDZALE-JOCBIADPSA-N 2 0 358.486 0.819 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000884668536 1210774891 /nfs/dbraw/zinc/77/48/91/1210774891.db2.gz VWLCPRGJIVZVPY-HUUCEWRRSA-N 2 0 368.428 0.767 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669793 1210775498 /nfs/dbraw/zinc/77/54/98/1210775498.db2.gz HAPREJGXKATXAT-JYJNAYRXSA-N 2 0 364.490 0.004 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000884669961 1210775592 /nfs/dbraw/zinc/77/55/92/1210775592.db2.gz LKIFZGHFRFYDMC-JKSUJKDBSA-N 2 0 366.506 0.109 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000884675588 1210777121 /nfs/dbraw/zinc/77/71/21/1210777121.db2.gz IHUPMZQVRVBXOA-QGZVFWFLSA-N 2 0 362.474 0.038 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675877 1210777499 /nfs/dbraw/zinc/77/74/99/1210777499.db2.gz TZFMYQNKYXNNKW-NVXWUHKLSA-N 2 0 358.486 0.739 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680845 1210779779 /nfs/dbraw/zinc/77/97/79/1210779779.db2.gz COQKBBVXRJPABI-MSOLQXFVSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000884683686 1210780223 /nfs/dbraw/zinc/78/02/23/1210780223.db2.gz LFWPGTJTNFAGNY-JYJNAYRXSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884692751 1210781944 /nfs/dbraw/zinc/78/19/44/1210781944.db2.gz VEAIUTYOFXODOP-JQHSSLGASA-N 2 0 358.486 0.739 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884704946 1210783946 /nfs/dbraw/zinc/78/39/46/1210783946.db2.gz ZOIIWWSYIKPGQU-BPQIPLTHSA-N 2 0 358.486 0.820 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000884703980 1210784111 /nfs/dbraw/zinc/78/41/11/1210784111.db2.gz QYLLVNMVLQZRFK-NVXWUHKLSA-N 2 0 362.474 0.166 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000884709268 1210784975 /nfs/dbraw/zinc/78/49/75/1210784975.db2.gz BEFWFYSGBPTFPD-HNNXBMFYSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000884710100 1210785974 /nfs/dbraw/zinc/78/59/74/1210785974.db2.gz YVERHYNDURLDHT-RHSMWYFYSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000884727427 1210790423 /nfs/dbraw/zinc/79/04/23/1210790423.db2.gz SOXDVEJYPWVBGN-YYIAUSFCSA-N 2 0 371.485 0.623 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884779093 1210793983 /nfs/dbraw/zinc/79/39/83/1210793983.db2.gz SLCKXHLZXJSNDH-HDICACEKSA-N 2 0 371.485 0.373 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884796822 1210797368 /nfs/dbraw/zinc/79/73/68/1210797368.db2.gz KWZDBAPEKHSYQZ-OAHLLOKOSA-N 2 0 372.460 0.586 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835239 1210800394 /nfs/dbraw/zinc/80/03/94/1210800394.db2.gz NMLKMHKNAXDGND-BQFCYCMXSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884833848 1210800489 /nfs/dbraw/zinc/80/04/89/1210800489.db2.gz PWHAAEHESGTPMZ-FZCLSBEQSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833222 1210800502 /nfs/dbraw/zinc/80/05/02/1210800502.db2.gz IOARDAXRRKRMJV-DKIMLUQUSA-N 2 0 356.470 0.443 20 0 FCADRP CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884885646 1210802795 /nfs/dbraw/zinc/80/27/95/1210802795.db2.gz AVXNQNZCLIHYMC-SJLPKXTDSA-N 2 0 358.486 0.758 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884910716 1210803713 /nfs/dbraw/zinc/80/37/13/1210803713.db2.gz CMICJAGAYKQMSN-WKILWMFISA-N 2 0 368.522 0.579 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974617 1210806159 /nfs/dbraw/zinc/80/61/59/1210806159.db2.gz ZZZISJJMSWDYKM-MRXNPFEDSA-N 2 0 370.538 0.698 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884983434 1210806863 /nfs/dbraw/zinc/80/68/63/1210806863.db2.gz RCXJSTDIBYQXCG-ROUUACIJSA-N 2 0 358.486 0.896 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884983376 1210807162 /nfs/dbraw/zinc/80/71/62/1210807162.db2.gz QFIASIRLMHZYLM-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885007559 1210807747 /nfs/dbraw/zinc/80/77/47/1210807747.db2.gz CHILJFMOBDXIAT-FJIDUMEYSA-N 2 0 362.518 0.824 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139508 1210811742 /nfs/dbraw/zinc/81/17/42/1210811742.db2.gz IYDIFBZEVOXUHH-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141319 1210812210 /nfs/dbraw/zinc/81/22/10/1210812210.db2.gz LWYXMRHCZNGGRN-CVEARBPZSA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141612 1210812335 /nfs/dbraw/zinc/81/23/35/1210812335.db2.gz OQMNCRBLUXVAPX-MRXNPFEDSA-N 2 0 366.506 0.204 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885157375 1210813689 /nfs/dbraw/zinc/81/36/89/1210813689.db2.gz LGKWAJKDOZZLAO-SFHVURJKSA-N 2 0 358.486 0.617 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000887063258 1210844432 /nfs/dbraw/zinc/84/44/32/1210844432.db2.gz WLTSFNCQKZMTEF-OTWHNJEPSA-N 2 0 370.497 0.917 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887091738 1210846989 /nfs/dbraw/zinc/84/69/89/1210846989.db2.gz UYJXYRUFFIQOBT-HRCADAONSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000887091642 1210846991 /nfs/dbraw/zinc/84/69/91/1210846991.db2.gz QQDHDTFULUVGMC-CYGHRXIMSA-N 2 0 371.485 0.705 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000887091359 1210847019 /nfs/dbraw/zinc/84/70/19/1210847019.db2.gz INNRZKXLLNJVET-OAGGEKHMSA-N 2 0 359.474 0.562 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000887091343 1210847066 /nfs/dbraw/zinc/84/70/66/1210847066.db2.gz HZNZGMCTFGFGLM-HLLBOEOZSA-N 2 0 357.458 0.329 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3C(=O)C2(C)CC[NH+](C)CC2)CC1 ZINC001274084746 1210876014 /nfs/dbraw/zinc/87/60/14/1210876014.db2.gz WBGYTSDUOHWKMA-MGPUTAFESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001274098318 1210880235 /nfs/dbraw/zinc/88/02/35/1210880235.db2.gz MSTNXCDBVQQUBF-SYNHAJSKSA-N 2 0 360.502 0.530 20 0 FCADRP O=C(N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771190 1210950086 /nfs/dbraw/zinc/95/00/86/1210950086.db2.gz XYMWPIPASYHIJD-DYXWJJEUSA-N 2 0 373.497 0.681 20 0 FCADRP O=C(N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771195 1210950417 /nfs/dbraw/zinc/95/04/17/1210950417.db2.gz XYMWPIPASYHIJD-SVFBPWRDSA-N 2 0 373.497 0.681 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890139618 1210968911 /nfs/dbraw/zinc/96/89/11/1210968911.db2.gz WSPIHJOLNBIVSJ-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CCC[NH+]4CCCCC4)CC3)[C@@H]2C1 ZINC001274404700 1211046223 /nfs/dbraw/zinc/04/62/23/1211046223.db2.gz GPUGGHUUBDSMPQ-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001274908429 1211142095 /nfs/dbraw/zinc/14/20/95/1211142095.db2.gz LXXSAEJMNDPLAR-LNLFQRSKSA-N 2 0 361.490 0.263 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[NH+]4CC4CC4)CC3)[C@H]2C1 ZINC001274923930 1211145131 /nfs/dbraw/zinc/14/51/31/1211145131.db2.gz HMZXMQCXXOKPSL-ULQDDVLXSA-N 2 0 360.502 0.530 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275171683 1211188133 /nfs/dbraw/zinc/18/81/33/1211188133.db2.gz MUEFWTOKMBYSDO-FGTMMUONSA-N 2 0 368.522 0.023 20 0 FCADRP COc1cnccc1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275372055 1211225192 /nfs/dbraw/zinc/22/51/92/1211225192.db2.gz UPEIBHTZDICAED-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP COC(C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O)OC ZINC001275493952 1211250778 /nfs/dbraw/zinc/25/07/78/1211250778.db2.gz QTXRLWUZLUPESZ-IBGZPJMESA-N 2 0 368.522 0.310 20 0 FCADRP COc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275500836 1211251607 /nfs/dbraw/zinc/25/16/07/1211251607.db2.gz SIEIDWQTQMGVAW-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CCCCCC(N)=O)CC1 ZINC001275556015 1211256406 /nfs/dbraw/zinc/25/64/06/1211256406.db2.gz GMLBTTYANPDRIE-UHFFFAOYSA-N 2 0 366.506 0.287 20 0 FCADRP CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001275590141 1211261218 /nfs/dbraw/zinc/26/12/18/1211261218.db2.gz RYWBIGSAJUFSIH-IBGZPJMESA-N 2 0 361.490 0.513 20 0 FCADRP COc1ncc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c(OC)n1 ZINC001275735387 1211278402 /nfs/dbraw/zinc/27/84/02/1211278402.db2.gz KXBATMSCIQKXJU-SFHVURJKSA-N 2 0 363.462 0.480 20 0 FCADRP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737566 1211278658 /nfs/dbraw/zinc/27/86/58/1211278658.db2.gz LNRDOTCZKBRFMV-AUUYWEPGSA-N 2 0 365.474 0.779 20 0 FCADRP O=C1CC[C@H](CN2C(=O)C[C@@]3(CCC[N@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736145 1211278676 /nfs/dbraw/zinc/27/86/76/1211278676.db2.gz CDXWWHFJQIKOKZ-DNVCBOLYSA-N 2 0 362.474 0.106 20 0 FCADRP CC(C)OC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738030 1211279355 /nfs/dbraw/zinc/27/93/55/1211279355.db2.gz RUITYRNBZZDGRU-IBGZPJMESA-N 2 0 367.490 0.489 20 0 FCADRP COC(=O)[C@@H](C)CN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275742404 1211279856 /nfs/dbraw/zinc/27/98/56/1211279856.db2.gz DHYHNXVQNWDKSV-HNNXBMFYSA-N 2 0 367.490 0.441 20 0 FCADRP CC1(C)OC[C@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)O1 ZINC001275812589 1211289307 /nfs/dbraw/zinc/28/93/07/1211289307.db2.gz AQAHPFKHLNGZBB-YJBOKZPZSA-N 2 0 364.446 0.338 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833324 1211293645 /nfs/dbraw/zinc/29/36/45/1211293645.db2.gz BAAQBKKAIBTLTM-HNAYVOBHSA-N 2 0 366.506 0.286 20 0 FCADRP Cn1cnnc1CN1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833458 1211293653 /nfs/dbraw/zinc/29/36/53/1211293653.db2.gz HYOSOYFAGSOKAM-IBGZPJMESA-N 2 0 360.506 0.971 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833822 1211294206 /nfs/dbraw/zinc/29/42/06/1211294206.db2.gz QKMCRAPJSKNBIK-OXJNMPFZSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1cnnc1CNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001275877362 1211303168 /nfs/dbraw/zinc/30/31/68/1211303168.db2.gz AMRKHZZVJYIOMH-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP COCCOCN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275878819 1211306074 /nfs/dbraw/zinc/30/60/74/1211306074.db2.gz LYGKWEMZNWUHJF-HKUYNNGSSA-N 2 0 369.506 0.500 20 0 FCADRP COc1ccncc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275929330 1211311226 /nfs/dbraw/zinc/31/12/26/1211311226.db2.gz AWFFCKMJGRZGIS-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP COCCn1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)cn1 ZINC001275972560 1211319502 /nfs/dbraw/zinc/31/95/02/1211319502.db2.gz HTZLIZHYCYBRCR-QGZVFWFLSA-N 2 0 363.506 0.809 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276130520 1211363028 /nfs/dbraw/zinc/36/30/28/1211363028.db2.gz NCUXGYFWAOCHOF-AWEZNQCLSA-N 2 0 363.462 0.476 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001221254635 1225282797 /nfs/dbraw/zinc/28/27/97/1225282797.db2.gz RRJJJEKQSGVNSZ-GUYCJALGSA-N 2 0 357.458 0.222 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424173 /nfs/dbraw/zinc/42/41/73/1211424173.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 0 364.490 0.048 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[NH+](C)C2)c1)C1CC1 ZINC000546585049 1211437698 /nfs/dbraw/zinc/43/76/98/1211437698.db2.gz ATRLOBNZDBZQLH-HXUWFJFHSA-N 2 0 374.485 0.445 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000546588788 1211438703 /nfs/dbraw/zinc/43/87/03/1211438703.db2.gz IPGOGPRXAYRBKI-HXUWFJFHSA-N 2 0 374.485 0.446 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000547269127 1211451543 /nfs/dbraw/zinc/45/15/43/1211451543.db2.gz ZYKFYSXTWZGKMW-LJQANCHMSA-N 2 0 362.474 0.650 20 0 FCADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)nc1 ZINC000925491715 1211501878 /nfs/dbraw/zinc/50/18/78/1211501878.db2.gz QWYXEKHHXVUODF-LTFXXXRZSA-N 3 0 356.518 0.965 20 0 FCADRP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221312193 1225294405 /nfs/dbraw/zinc/29/44/05/1225294405.db2.gz XOJDUIYLKSCZPD-ZDUSSCGKSA-N 2 0 356.382 0.496 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926301876 1211527883 /nfs/dbraw/zinc/52/78/83/1211527883.db2.gz ZXPPMKMPRQMMMQ-OAHLLOKOSA-N 2 0 364.465 0.913 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926299732 1211528486 /nfs/dbraw/zinc/52/84/86/1211528486.db2.gz PVKVEPVOQMAIBF-RBUKOAKNSA-N 2 0 372.513 0.687 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926349326 1211536993 /nfs/dbraw/zinc/53/69/93/1211536993.db2.gz VSHHDDHHAICEAR-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221334166 1225299397 /nfs/dbraw/zinc/29/93/97/1225299397.db2.gz YQJRCNQKULZVBV-HOTGVXAUSA-N 2 0 362.474 0.157 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000927900346 1211591431 /nfs/dbraw/zinc/59/14/31/1211591431.db2.gz IJCQEBPOAKVOOP-LSDHHAIUSA-N 2 0 374.489 0.546 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)[NH+]1CCCC1 ZINC000929178929 1211621333 /nfs/dbraw/zinc/62/13/33/1211621333.db2.gz BNYMWBNMIQITSJ-RDJZCZTQSA-N 2 0 374.485 0.769 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](c1ccccc1)c1cccnn1 ZINC001221384377 1225303716 /nfs/dbraw/zinc/30/37/16/1225303716.db2.gz DQHXNJQUDSALIX-AEFFLSMTSA-N 2 0 354.458 0.433 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)[NH2+]C1 ZINC001221391120 1225304756 /nfs/dbraw/zinc/30/47/56/1225304756.db2.gz AVSSZSXJCGOCLB-IEBWSBKVSA-N 2 0 359.518 0.771 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)CC2)[NH2+]C1 ZINC001221392815 1225305000 /nfs/dbraw/zinc/30/50/00/1225305000.db2.gz NGCZSWNYAUBCIB-UHFFFAOYSA-N 2 0 362.474 0.569 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)c1 ZINC001221403188 1225306689 /nfs/dbraw/zinc/30/66/89/1225306689.db2.gz GNDLPKXHVXQGES-HNNXBMFYSA-N 2 0 356.430 0.325 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001221410886 1225307638 /nfs/dbraw/zinc/30/76/38/1225307638.db2.gz SKPYNUPMMRCHDU-XAUMDUMWSA-N 2 0 354.454 0.600 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931485769 1211757494 /nfs/dbraw/zinc/75/74/94/1211757494.db2.gz DKDIPNXOSJEURW-QGZVFWFLSA-N 2 0 365.474 0.773 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000931655228 1211768500 /nfs/dbraw/zinc/76/85/00/1211768500.db2.gz WVZRAOROOCLZLW-IYBDPMFKSA-N 2 0 358.486 0.915 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC000931655222 1211768505 /nfs/dbraw/zinc/76/85/05/1211768505.db2.gz WVZRAOROOCLZLW-HOTGVXAUSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCc2cccnc21 ZINC000932739364 1211819500 /nfs/dbraw/zinc/81/95/00/1211819500.db2.gz CAGRPXLCNJTIRZ-MRXNPFEDSA-N 2 0 361.490 0.527 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169443 1211910419 /nfs/dbraw/zinc/91/04/19/1211910419.db2.gz UJMRKLUZPHKGOP-TUVASFSCSA-N 2 0 367.494 0.284 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767632 1211980103 /nfs/dbraw/zinc/98/01/03/1211980103.db2.gz PPWASYYVLKOVKL-OEAJRASXSA-N 2 0 367.409 0.475 20 0 FCADRP CN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnc4c2CCCC4)C3)C1=O ZINC001095772600 1211986957 /nfs/dbraw/zinc/98/69/57/1211986957.db2.gz XCLOJNPOKYBJGE-HUHSQHJXSA-N 2 0 371.485 0.714 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263253 1211987279 /nfs/dbraw/zinc/98/72/79/1211987279.db2.gz IKAYHCQLYQUFNB-HCXYKTFWSA-N 2 0 365.518 0.837 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)ccc2c[nH+]cn21 ZINC000968545945 1212020139 /nfs/dbraw/zinc/02/01/39/1212020139.db2.gz UHQIFHQYHPAFSU-ZACQAIPSSA-N 2 0 371.441 0.038 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC000968547293 1212022400 /nfs/dbraw/zinc/02/24/00/1212022400.db2.gz OKVPOUJUJMBCKL-SJORKVTESA-N 2 0 371.441 0.040 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000969055317 1212250978 /nfs/dbraw/zinc/25/09/78/1212250978.db2.gz FXKKNZWCGLCSOK-DFBDCSAJSA-N 2 0 362.518 0.870 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788125 1213216113 /nfs/dbraw/zinc/21/61/13/1213216113.db2.gz ROALVTWNYXLWCP-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000957224251 1213276544 /nfs/dbraw/zinc/27/65/44/1213276544.db2.gz JXXBMZNWIDUIRV-FRQCXROJSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000958029062 1213376323 /nfs/dbraw/zinc/37/63/23/1213376323.db2.gz DZPFHNMLVVVYKW-LTIDMASMSA-N 2 0 362.518 0.776 20 0 FCADRP COCCC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276315698 1213403262 /nfs/dbraw/zinc/40/32/62/1213403262.db2.gz MOBZFWNRLSSEQR-SFHVURJKSA-N 2 0 366.550 0.879 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276318146 1213404087 /nfs/dbraw/zinc/40/40/87/1213404087.db2.gz VURCJRZNFPCNEO-GOSISDBHSA-N 2 0 362.430 0.714 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1COC(C)(C)OC1)C2 ZINC001276345551 1213425057 /nfs/dbraw/zinc/42/50/57/1213425057.db2.gz CZYGUZWIPWZHSU-IBGZPJMESA-N 2 0 369.506 0.498 20 0 FCADRP CCN1CCN(C(=O)c2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000649308694 1213653499 /nfs/dbraw/zinc/65/34/99/1213653499.db2.gz VPOYXNLGJHAHAI-KRWDZBQOSA-N 2 0 360.458 0.781 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1)[NH+](C)C ZINC000960534932 1213809393 /nfs/dbraw/zinc/80/93/93/1213809393.db2.gz PKLNISXEFVRUGO-IXDOHACOSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001014002784 1213917023 /nfs/dbraw/zinc/91/70/23/1213917023.db2.gz HWWUDEDFXJFXMX-MCCLGAHQSA-N 2 0 362.518 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@@H+]1C ZINC001014477651 1213964262 /nfs/dbraw/zinc/96/42/62/1213964262.db2.gz YCWCEGXGBIUAKY-FVQBIDKESA-N 2 0 356.474 0.999 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001017491444 1214103338 /nfs/dbraw/zinc/10/33/38/1214103338.db2.gz KCJQZTUZJZXZJY-OKZBNKHCSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4([NH+](C)C)CCC4)C3)C2)CC[N@@H+]1C ZINC001019108080 1214198133 /nfs/dbraw/zinc/19/81/33/1214198133.db2.gz HHVNUDFCEWZLPX-HZPDHXFCSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)CC[N@@H+]1C ZINC000961666253 1214262501 /nfs/dbraw/zinc/26/25/01/1214262501.db2.gz IKTVFPQWCWMSFB-WCXIOVBPSA-N 2 0 360.502 0.339 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039857601 1214447369 /nfs/dbraw/zinc/44/73/69/1214447369.db2.gz FAXVZUQBQDYTRI-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001039865316 1214450182 /nfs/dbraw/zinc/45/01/82/1214450182.db2.gz OEWFXTFOBWKQKI-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC001040705134 1214568414 /nfs/dbraw/zinc/56/84/14/1214568414.db2.gz DFMKVWVWUHCIAM-BBWFWOEESA-N 2 0 362.518 0.920 20 0 FCADRP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221933708 1225540061 /nfs/dbraw/zinc/54/00/61/1225540061.db2.gz LKPKKPIPRXLTKZ-RTBURBONSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC000963020934 1214714611 /nfs/dbraw/zinc/71/46/11/1214714611.db2.gz PVZNRQNRJCTAOH-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+]1CCCCCC1 ZINC000963487474 1214814841 /nfs/dbraw/zinc/81/48/41/1214814841.db2.gz VTQXDDUMBDIGEM-BBWFWOEESA-N 2 0 366.506 0.035 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC000963811720 1214855690 /nfs/dbraw/zinc/85/56/90/1214855690.db2.gz OSDGNXXAWYNXKH-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018204 1225578620 /nfs/dbraw/zinc/57/86/20/1225578620.db2.gz RKYOUCRIJJLAHN-KZNAEPCWSA-N 2 0 369.506 0.150 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000965977506 1215154518 /nfs/dbraw/zinc/15/45/18/1215154518.db2.gz CWSRECHDYCOJGU-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276827201 1225596850 /nfs/dbraw/zinc/59/68/50/1225596850.db2.gz KJUNOTIGKGFZNF-QFBILLFUSA-N 2 0 369.506 0.567 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442115 1225624724 /nfs/dbraw/zinc/62/47/24/1225624724.db2.gz DBAIPFZFZHUYSB-IKGGRYGDSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CCn4cncn4)CC3)CC2)CC[N@@H+]1C ZINC001000160602 1216013555 /nfs/dbraw/zinc/01/35/55/1216013555.db2.gz IAKQTCFISBWLPL-NVXWUHKLSA-N 2 0 360.506 0.979 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001000700963 1216108297 /nfs/dbraw/zinc/10/82/97/1216108297.db2.gz AYTBVVALKKXKQC-DJIMGWMZSA-N 2 0 358.490 0.854 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001222789209 1225653453 /nfs/dbraw/zinc/65/34/53/1225653453.db2.gz HMKPTBFKELHSTQ-IKGGRYGDSA-N 2 0 366.485 0.881 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)CC1 ZINC001051620646 1216466990 /nfs/dbraw/zinc/46/69/90/1216466990.db2.gz UFOAXJHQFVUUTH-OTWHNJEPSA-N 2 0 365.518 0.960 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625271 1216470082 /nfs/dbraw/zinc/47/00/82/1216470082.db2.gz YFEWCTJNUISRIX-DJIMGWMZSA-N 2 0 362.474 0.747 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223024380 1225674421 /nfs/dbraw/zinc/67/44/21/1225674421.db2.gz ZWHLWVUSHFPLKD-CVEARBPZSA-N 2 0 365.522 0.665 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001052395080 1216547408 /nfs/dbraw/zinc/54/74/08/1216547408.db2.gz KKFNXWLKYRUZPF-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP CC(CN1CC[N@H+](CCO)C(C)(C)C1)C[NH+]1CCN(CCO)C(C)(C)C1 ZINC000682036340 1216655556 /nfs/dbraw/zinc/65/55/56/1216655556.db2.gz QODDDMHCHIRQPY-UHFFFAOYSA-N 2 0 370.582 0.400 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068885196 1216765717 /nfs/dbraw/zinc/76/57/17/1216765717.db2.gz PQYZPZJOTBBOSA-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)ccc2c[nH+]cn21 ZINC001069965726 1216872212 /nfs/dbraw/zinc/87/22/12/1216872212.db2.gz CEIFHKZRZDPQHZ-SJORKVTESA-N 2 0 369.429 0.272 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976565 1216880061 /nfs/dbraw/zinc/88/00/61/1216880061.db2.gz SOXRXWPDBFOZEY-SJORKVTESA-N 2 0 366.429 0.924 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042738938 1217450051 /nfs/dbraw/zinc/45/00/51/1217450051.db2.gz RLGAOUXFGBYFHD-LZQZEXGQSA-N 2 0 365.518 0.912 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130116 1225759391 /nfs/dbraw/zinc/75/93/91/1225759391.db2.gz OAHHXZQMFKBGKT-IKGGRYGDSA-N 2 0 365.522 0.569 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001224233742 1225767003 /nfs/dbraw/zinc/76/70/03/1225767003.db2.gz XQQVVVJSXFFYJN-CVEARBPZSA-N 2 0 364.490 0.398 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961147 1225770797 /nfs/dbraw/zinc/77/07/97/1225770797.db2.gz ZJZFRSLROQJCEQ-QUCCMNQESA-N 2 0 366.550 0.709 20 0 FCADRP CC(C)[C@H](C)NC(=O)CN1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224297999 1225771145 /nfs/dbraw/zinc/77/11/45/1225771145.db2.gz KIPJTKVSFRNKOS-BBWFWOEESA-N 2 0 361.490 0.967 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900192323 1217969370 /nfs/dbraw/zinc/96/93/70/1217969370.db2.gz LKIWKTXFJNSGLQ-PZJWPPBQSA-N 2 0 374.529 0.895 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900340282 1217979879 /nfs/dbraw/zinc/97/98/79/1217979879.db2.gz VZNSYXVRCFKQJM-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP COc1cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000900480578 1217995927 /nfs/dbraw/zinc/99/59/27/1217995927.db2.gz IIMZGYWCENJENS-BEFAXECRSA-N 2 0 365.474 0.707 20 0 FCADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900804845 1218039767 /nfs/dbraw/zinc/03/97/67/1218039767.db2.gz NRFRMPXJXLYPJJ-AZUAARDMSA-N 2 0 373.545 0.949 20 0 FCADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900808766 1218040894 /nfs/dbraw/zinc/04/08/94/1218040894.db2.gz WUZKFIJANJWLGX-MSOLQXFVSA-N 2 0 374.533 0.344 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCC2(F)F)CC[N@@H+]1C ZINC001046944234 1218089238 /nfs/dbraw/zinc/08/92/38/1218089238.db2.gz LFPDGQZURZSGGE-QLFBSQMISA-N 2 0 370.448 0.692 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)c1cnc(C(=O)N(C)CCC[NH+](C)C)cn1 ZINC000901327387 1218113706 /nfs/dbraw/zinc/11/37/06/1218113706.db2.gz OXKZHUNQFFOVGJ-UHFFFAOYSA-N 2 0 364.494 0.524 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384930 1218137432 /nfs/dbraw/zinc/13/74/32/1218137432.db2.gz OETSLUXBAPGYIO-FTWQHDNSSA-N 2 0 361.486 0.564 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225347536 1225808051 /nfs/dbraw/zinc/80/80/51/1225808051.db2.gz ZOOWDBLSQDRXSL-KFWWJZLASA-N 2 0 367.494 0.333 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538262 1218283154 /nfs/dbraw/zinc/28/31/54/1218283154.db2.gz NRXVPHHLEANIEC-RGGMIXCSSA-N 2 0 366.506 0.329 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4c3CCO4)C2)OCC1=O ZINC001277050857 1225814619 /nfs/dbraw/zinc/81/46/19/1225814619.db2.gz ZTWFYBVLQMZLKH-HXUWFJFHSA-N 2 0 359.470 0.986 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000803564425 1218437489 /nfs/dbraw/zinc/43/74/89/1218437489.db2.gz MAROCLHOAKDLJL-IXDOHACOSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543524 1218475756 /nfs/dbraw/zinc/47/57/56/1218475756.db2.gz VQHMSYBTFFWCPJ-MHORFTMASA-N 2 0 356.470 0.959 20 0 FCADRP COC(=O)c1cn(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)nn1 ZINC000903758834 1218518325 /nfs/dbraw/zinc/51/83/25/1218518325.db2.gz NJHXJHQEZRGZKV-HNNXBMFYSA-N 2 0 363.462 0.860 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225968866 1225829549 /nfs/dbraw/zinc/82/95/49/1225829549.db2.gz AOUAYECLVYTQSO-YNEHKIRRSA-N 2 0 364.450 0.203 20 0 FCADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980078 1218579028 /nfs/dbraw/zinc/57/90/28/1218579028.db2.gz GIDQJOPXAJZZLH-OKZBNKHCSA-N 3 0 359.522 0.603 20 0 FCADRP CCn1nncc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097086000 1218685468 /nfs/dbraw/zinc/68/54/68/1218685468.db2.gz SRGHLHLVHPSHSJ-SPUZQDLCSA-N 2 0 358.490 0.861 20 0 FCADRP Cn1nccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095535 1218687859 /nfs/dbraw/zinc/68/78/59/1218687859.db2.gz RVHQTLABYKRHCS-OLMNPRSZSA-N 2 0 371.489 0.714 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001097430368 1218808619 /nfs/dbraw/zinc/80/86/19/1218808619.db2.gz KTABDWUEEXUSMD-XDNAFOTISA-N 2 0 373.501 0.594 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCc4cnn(C)c4)C3)C2)CC[N@@H+]1C ZINC001053807030 1218892144 /nfs/dbraw/zinc/89/21/44/1218892144.db2.gz YOERMPQKISZSML-HYVNUMGLSA-N 2 0 361.490 0.262 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226765863 1225854310 /nfs/dbraw/zinc/85/43/10/1225854310.db2.gz GASDCNMOFDHMAQ-RBSFLKMASA-N 2 0 367.494 0.461 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001227150157 1225864647 /nfs/dbraw/zinc/86/46/47/1225864647.db2.gz KYCQWODKOWYFAJ-GVDBMIGSSA-N 2 0 365.522 0.991 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227165102 1225864992 /nfs/dbraw/zinc/86/49/92/1225864992.db2.gz JELQTTZUZLNWMB-ZIAGYGMSSA-N 2 0 369.510 0.579 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)OC)CC2)CC[N@@H+]1C ZINC001055534270 1219070540 /nfs/dbraw/zinc/07/05/40/1219070540.db2.gz FHKUWGSINZBYAE-HYVNUMGLSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC001055578203 1219085769 /nfs/dbraw/zinc/08/57/69/1219085769.db2.gz HVTDCPNSTBFOCQ-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055579511 1219086150 /nfs/dbraw/zinc/08/61/50/1219086150.db2.gz FMTPJYDDMWUZIS-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055607394 1219097443 /nfs/dbraw/zinc/09/74/43/1219097443.db2.gz ZGWKODFQFYGEED-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059498 1219115650 /nfs/dbraw/zinc/11/56/50/1219115650.db2.gz IUNNTWTYGONNEJ-YESZJQIVSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000804062211 1219118173 /nfs/dbraw/zinc/11/81/73/1219118173.db2.gz DDXHBZTUVKRVLO-SJORKVTESA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001070068176 1219131937 /nfs/dbraw/zinc/13/19/37/1219131937.db2.gz KRABVMVPWFNQRA-OIISXLGYSA-N 2 0 364.494 0.121 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097212 1219168862 /nfs/dbraw/zinc/16/88/62/1219168862.db2.gz HLGHYVQYPAAXHK-QRVBRYPASA-N 2 0 368.485 0.814 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCOCC2)CC[N@@H+]1C ZINC001070123425 1219194936 /nfs/dbraw/zinc/19/49/36/1219194936.db2.gz NQOXQXJTAMTYOG-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070124852 1219196978 /nfs/dbraw/zinc/19/69/78/1219196978.db2.gz BYUZRJZOXYFDLK-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158558 1219245513 /nfs/dbraw/zinc/24/55/13/1219245513.db2.gz POBSAMWYKCLIRK-SQNIBIBYSA-N 2 0 369.473 0.617 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)CC1 ZINC001070305092 1219363176 /nfs/dbraw/zinc/36/31/76/1219363176.db2.gz DKEVUSMIKPUGMJ-OIISXLGYSA-N 2 0 364.494 0.121 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)[C@@H](n3ccnn3)C2)C1 ZINC001070327008 1219377661 /nfs/dbraw/zinc/37/76/61/1219377661.db2.gz NOQJPIWQQFEYCR-ZNMIVQPWSA-N 2 0 368.432 0.617 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cn(C)cn1 ZINC001070510388 1219446693 /nfs/dbraw/zinc/44/66/93/1219446693.db2.gz WWWKJQMIGPUSCM-RPVQJOFSSA-N 2 0 368.441 0.646 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2[NH2+]CCO)c1 ZINC001070513362 1219447948 /nfs/dbraw/zinc/44/79/48/1219447948.db2.gz JHYNLRBUSBCWNF-DOTOQJQBSA-N 2 0 354.414 0.258 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001070563977 1219471231 /nfs/dbraw/zinc/47/12/31/1219471231.db2.gz OHWKTYJXCWCRBQ-HLLBOEOZSA-N 2 0 367.469 0.242 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001070567857 1219473239 /nfs/dbraw/zinc/47/32/39/1219473239.db2.gz KYAQAEKUTVDQIR-JQHSSLGASA-N 2 0 363.506 0.417 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001070567854 1219473306 /nfs/dbraw/zinc/47/33/06/1219473306.db2.gz KVNOIYXEUVVSAH-XYJFISCASA-N 2 0 363.506 0.561 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917814 1219572245 /nfs/dbraw/zinc/57/22/45/1219572245.db2.gz KXPQXPFJEUCENH-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071060051 1219597162 /nfs/dbraw/zinc/59/71/62/1219597162.db2.gz RCJRYFTWVSBLTA-RYRKJORJSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC001071060959 1219597360 /nfs/dbraw/zinc/59/73/60/1219597360.db2.gz GLFRQODKJVFLLJ-BMFZPTHFSA-N 2 0 366.506 0.330 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071086134 1219603063 /nfs/dbraw/zinc/60/30/63/1219603063.db2.gz QQZLHUZIZRQRGU-QAPCUYQASA-N 2 0 366.506 0.189 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](O)Cn2cccn2)C3)CC[N@@H+]1C ZINC001072752459 1219621741 /nfs/dbraw/zinc/62/17/41/1219621741.db2.gz LCKKNUDPEVPHDL-IXDOHACOSA-N 2 0 361.490 0.119 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(=O)NC2CC2)C3)CC[N@@H+]1C ZINC001072754936 1219622012 /nfs/dbraw/zinc/62/20/12/1219622012.db2.gz LBLZJVPWABYTLX-HYVNUMGLSA-N 2 0 362.518 0.918 20 0 FCADRP COCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098674065 1219809538 /nfs/dbraw/zinc/80/95/38/1219809538.db2.gz YNNXATKMASCGEH-DJIMGWMZSA-N 2 0 364.494 0.518 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC001098996538 1219883924 /nfs/dbraw/zinc/88/39/24/1219883924.db2.gz PCUMXLCAFXACFY-BOSXTWCSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001099436787 1219995803 /nfs/dbraw/zinc/99/58/03/1219995803.db2.gz BJXNWQRRMUOWPK-OLMMMNRUSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001099436584 1219995906 /nfs/dbraw/zinc/99/59/06/1219995906.db2.gz VIJFBSKBCWIGCO-GFIVTLFCSA-N 2 0 360.506 0.874 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001099445987 1219998879 /nfs/dbraw/zinc/99/88/79/1219998879.db2.gz FWXIACGWVVHSLY-BXWFABGCSA-N 2 0 362.518 0.968 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228603971 1225935513 /nfs/dbraw/zinc/93/55/13/1225935513.db2.gz VPAXKONKTYKNDL-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncn3C)C2)C1 ZINC001099500583 1220016009 /nfs/dbraw/zinc/01/60/09/1220016009.db2.gz WWJBHOULLWQCTC-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001099525499 1220023563 /nfs/dbraw/zinc/02/35/63/1220023563.db2.gz FEBGAMRTVMCOMB-KXBFYZLASA-N 2 0 358.490 0.629 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001099527369 1220024166 /nfs/dbraw/zinc/02/41/66/1220024166.db2.gz WHVHUUYZOHAMSQ-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)[NH+]1CCCC1 ZINC001228669166 1225941310 /nfs/dbraw/zinc/94/13/10/1225941310.db2.gz MLPRJTPUFPBOTM-GVDBMIGSSA-N 2 0 368.522 0.593 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277507 1220263665 /nfs/dbraw/zinc/26/36/65/1220263665.db2.gz KUGRODJEICOCNL-LMMKCTJWSA-N 2 0 368.522 0.260 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279690 1220264364 /nfs/dbraw/zinc/26/43/64/1220264364.db2.gz VVPIQFPLGLBDQZ-HLIPFELVSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363648 1220302628 /nfs/dbraw/zinc/30/26/28/1220302628.db2.gz ZFULMDVTAWPRIN-VPWXQRGCSA-N 2 0 362.518 0.777 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369689 1220305614 /nfs/dbraw/zinc/30/56/14/1220305614.db2.gz HXWAZNMGBPQREH-FCEWJHQRSA-N 2 0 366.506 0.014 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001101413529 1220329982 /nfs/dbraw/zinc/32/99/82/1220329982.db2.gz QWICFAMMXOMCJD-GGPKGHCWSA-N 2 0 367.534 0.894 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432392 1220340937 /nfs/dbraw/zinc/34/09/37/1220340937.db2.gz PZGFCNIXUKJVNH-KHYOSLBOSA-N 2 0 366.506 0.012 20 0 FCADRP Cc1nccnc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432158 1220341410 /nfs/dbraw/zinc/34/14/10/1220341410.db2.gz DURUHNBXGFUXOP-APWZRJJASA-N 2 0 361.490 0.644 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)ncn1 ZINC001101432511 1220341849 /nfs/dbraw/zinc/34/18/49/1220341849.db2.gz UNICTGXXHODEJB-APWZRJJASA-N 2 0 361.490 0.644 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001101474234 1220366648 /nfs/dbraw/zinc/36/66/48/1220366648.db2.gz OLALVHWIXWLRLB-MJGOQNOKSA-N 2 0 360.506 0.934 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013330 1220461541 /nfs/dbraw/zinc/46/15/41/1220461541.db2.gz VRUVYNCBIBZORA-ZACQAIPSSA-N 2 0 370.513 0.973 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012903 1220461985 /nfs/dbraw/zinc/46/19/85/1220461985.db2.gz ANJBRLYLWSBDFN-ZACQAIPSSA-N 2 0 370.513 0.973 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020952 1220466617 /nfs/dbraw/zinc/46/66/17/1220466617.db2.gz FUWGMHVOKVIANJ-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047528 1220477236 /nfs/dbraw/zinc/47/72/36/1220477236.db2.gz KJYFSHPPEBTBSL-BJZITVGISA-N 2 0 364.534 0.879 20 0 FCADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051879 1220479484 /nfs/dbraw/zinc/47/94/84/1220479484.db2.gz RIDNSGRAMPOPJX-NUJGCVRESA-N 2 0 371.522 0.179 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102086083 1220491011 /nfs/dbraw/zinc/49/10/11/1220491011.db2.gz PFQJPLFPJSJNFX-BFYDXBDKSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)cn1 ZINC001229046869 1225973901 /nfs/dbraw/zinc/97/39/01/1225973901.db2.gz USUWKMQTDOTPHN-IAGOWNOFSA-N 2 0 367.494 0.084 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312876 1220582390 /nfs/dbraw/zinc/58/23/90/1220582390.db2.gz RXCZGUNVEVPUPC-CRAIPNDOSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)C1CC1 ZINC001102312855 1220582594 /nfs/dbraw/zinc/58/25/94/1220582594.db2.gz REBSVBPJMZZWRE-RVKKMQEKSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373212 1220598150 /nfs/dbraw/zinc/59/81/50/1220598150.db2.gz YUJNZMSOXSCQMG-BZUAXINKSA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102373719 1220598277 /nfs/dbraw/zinc/59/82/77/1220598277.db2.gz JKLNRJCYFLZMOI-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001102373083 1220599100 /nfs/dbraw/zinc/59/91/00/1220599100.db2.gz ULYLTCRDJVGHIS-SPYBWZPUSA-N 2 0 370.513 0.971 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473525 1220643601 /nfs/dbraw/zinc/64/36/01/1220643601.db2.gz DIPXOYXWZHECEQ-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479934 1220647747 /nfs/dbraw/zinc/64/77/47/1220647747.db2.gz OMPCFZQDWDXBAS-IAGOWNOFSA-N 2 0 365.522 0.428 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102506778 1220667127 /nfs/dbraw/zinc/66/71/27/1220667127.db2.gz CAHKGAYATPCTMI-QINHECLXSA-N 2 0 360.502 0.894 20 0 FCADRP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513804 1220672240 /nfs/dbraw/zinc/67/22/40/1220672240.db2.gz BRMPNNZPRULIAD-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513769 1220672769 /nfs/dbraw/zinc/67/27/69/1220672769.db2.gz AJOZXCFPWDQBQE-BPQIPLTHSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102513905 1220673743 /nfs/dbraw/zinc/67/37/43/1220673743.db2.gz GCSURTQPUOZFAC-HZPDHXFCSA-N 2 0 364.534 0.929 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514395 1220673751 /nfs/dbraw/zinc/67/37/51/1220673751.db2.gz WAULKSZTTHGKIS-IXDOHACOSA-N 2 0 370.538 0.504 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514469 1220673790 /nfs/dbraw/zinc/67/37/90/1220673790.db2.gz YGFXELUAIYCMMR-BRWVUGGUSA-N 2 0 364.534 0.927 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579108 1220701609 /nfs/dbraw/zinc/70/16/09/1220701609.db2.gz IIXPVXQWAIWORH-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579107 1220701814 /nfs/dbraw/zinc/70/18/14/1220701814.db2.gz IIXPVXQWAIWORH-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581007 1220703782 /nfs/dbraw/zinc/70/37/82/1220703782.db2.gz VJESHOJACLQCSG-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596626 1220717690 /nfs/dbraw/zinc/71/76/90/1220717690.db2.gz PWRRFPKHPMLBIA-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994378 1220817362 /nfs/dbraw/zinc/81/73/62/1220817362.db2.gz ZJPHRIYRPXYKEZ-NXHRZFHOSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398411 1220877439 /nfs/dbraw/zinc/87/74/39/1220877439.db2.gz RHIDIDGTAWADPI-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438582 1220882710 /nfs/dbraw/zinc/88/27/10/1220882710.db2.gz RAHHXZKUBSEVDX-ZIAGYGMSSA-N 2 0 369.510 0.233 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103550357 1220899816 /nfs/dbraw/zinc/89/98/16/1220899816.db2.gz LWZLXIDSKHXLGG-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584267 1220908738 /nfs/dbraw/zinc/90/87/38/1220908738.db2.gz KLFGSNPRXXIFST-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103612626 1220913271 /nfs/dbraw/zinc/91/32/71/1220913271.db2.gz MLRLFBKIVPLIBR-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643967 1220925653 /nfs/dbraw/zinc/92/56/53/1220925653.db2.gz ZQDJCNIXDBMMHM-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001103642974 1220925775 /nfs/dbraw/zinc/92/57/75/1220925775.db2.gz CEMTVNMAZTYOFD-IJEWVQPXSA-N 2 0 366.510 0.827 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721548 1220951932 /nfs/dbraw/zinc/95/19/32/1220951932.db2.gz XLDLNLIFYNXWBL-BRWVUGGUSA-N 2 0 367.538 0.720 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229524040 1226016031 /nfs/dbraw/zinc/01/60/31/1226016031.db2.gz MZRMKZHIACDNFR-GVDBMIGSSA-N 2 0 368.522 0.329 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NCC2CC2)C3)CC[N@@H+]1C ZINC001111753215 1221089874 /nfs/dbraw/zinc/08/98/74/1221089874.db2.gz JKIRDBFDTNIDIS-ASKNOMKYSA-N 2 0 362.518 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001229503867 1226014710 /nfs/dbraw/zinc/01/47/10/1226014710.db2.gz NXYKDVHNCJQCMM-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)c1ccn2c[nH+]cc2c1 ZINC001111800081 1221116236 /nfs/dbraw/zinc/11/62/36/1221116236.db2.gz ZOKHARZMQLQQBO-LPHOPBHVSA-N 2 0 358.442 0.928 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111938130 1221179058 /nfs/dbraw/zinc/17/90/58/1221179058.db2.gz MKAIGUMKTJASBW-FCEWJHQRSA-N 2 0 366.506 0.156 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001111983846 1221193554 /nfs/dbraw/zinc/19/35/54/1221193554.db2.gz SGDVXBNJEGIJJT-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112018624 1221202134 /nfs/dbraw/zinc/20/21/34/1221202134.db2.gz IBHKAGISDCKIMP-SYNHAJSKSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001112359612 1221245782 /nfs/dbraw/zinc/24/57/82/1221245782.db2.gz ARCCRJAQLHDKJA-MJEZEWASSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC001112399291 1221252628 /nfs/dbraw/zinc/25/26/28/1221252628.db2.gz LLWCLCSFHJNIQR-QRFRQXIXSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001112425549 1221257247 /nfs/dbraw/zinc/25/72/47/1221257247.db2.gz QWIOVXFLKCMLKG-IYOUNJFTSA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229692251 1226027569 /nfs/dbraw/zinc/02/75/69/1226027569.db2.gz FWHAFGPPGGDHMV-BRWVUGGUSA-N 2 0 370.538 0.742 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001229683348 1226027676 /nfs/dbraw/zinc/02/76/76/1226027676.db2.gz SGWSBHJACFEQBV-RRFJBIMHSA-N 2 0 363.462 0.972 20 0 FCADRP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229693204 1226027748 /nfs/dbraw/zinc/02/77/48/1226027748.db2.gz PBOMSFIFEZMRQA-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001229693577 1226028992 /nfs/dbraw/zinc/02/89/92/1226028992.db2.gz VPCRLXCKVRCAQT-ARFHVFGLSA-N 2 0 370.538 0.885 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001229710667 1226029536 /nfs/dbraw/zinc/02/95/36/1226029536.db2.gz RQDOOQAOPDXRNH-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001116075518 1221333845 /nfs/dbraw/zinc/33/38/45/1221333845.db2.gz AUOHCHUKNIQFLL-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001116090055 1221335225 /nfs/dbraw/zinc/33/52/25/1221335225.db2.gz ICAGKTWJMSVCER-UHFFFAOYSA-N 2 0 373.501 0.896 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001116653097 1221376979 /nfs/dbraw/zinc/37/69/79/1221376979.db2.gz YEIINBBBLMTVCE-LJQANCHMSA-N 2 0 367.582 0.399 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001116971885 1221413826 /nfs/dbraw/zinc/41/38/26/1221413826.db2.gz YROCETRQDDPPNN-SJORKVTESA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117312834 1221514966 /nfs/dbraw/zinc/51/49/66/1221514966.db2.gz AXYSOZYUXINVRF-SJORKVTESA-N 2 0 368.522 0.545 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC=CCC1 ZINC001117357260 1221530607 /nfs/dbraw/zinc/53/06/07/1221530607.db2.gz JHCLRANXNITHIF-QGZVFWFLSA-N 2 0 371.485 0.935 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001117954533 1221665663 /nfs/dbraw/zinc/66/56/63/1221665663.db2.gz AURRXWQQVSYCQF-OAHLLOKOSA-N 2 0 361.490 0.800 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC001118411693 1221776495 /nfs/dbraw/zinc/77/64/95/1221776495.db2.gz NAAWYGQRTIHVLI-UHFFFAOYSA-N 2 0 374.533 0.775 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001118524794 1221794919 /nfs/dbraw/zinc/79/49/19/1221794919.db2.gz IJAHYROJNCPCOH-IBGZPJMESA-N 2 0 359.474 0.554 20 0 FCADRP CC[C@@H]1COCCN1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119145397 1221877590 /nfs/dbraw/zinc/87/75/90/1221877590.db2.gz VJCAOIFHTAKMLZ-SJLPKXTDSA-N 2 0 368.522 0.897 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001119296126 1221898204 /nfs/dbraw/zinc/89/82/04/1221898204.db2.gz MLVDNFOAQBVKBV-QUCCMNQESA-N 2 0 360.502 0.817 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCC1 ZINC001119342973 1221902436 /nfs/dbraw/zinc/90/24/36/1221902436.db2.gz AABGLWOKGXJAKO-OAHLLOKOSA-N 2 0 366.506 0.252 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC001119349223 1221902996 /nfs/dbraw/zinc/90/29/96/1221902996.db2.gz NFLOBLFWUWTFNL-BBWFWOEESA-N 2 0 366.506 0.081 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119363548 1221906692 /nfs/dbraw/zinc/90/66/92/1221906692.db2.gz ZXNRDCZUJGQXFW-NZSAHSFTSA-N 2 0 372.513 0.939 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119363549 1221906960 /nfs/dbraw/zinc/90/69/60/1221906960.db2.gz ZXNRDCZUJGQXFW-YTQUADARSA-N 2 0 372.513 0.939 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001119610831 1221940469 /nfs/dbraw/zinc/94/04/69/1221940469.db2.gz HMEQTLHICYLVPV-HOCLYGCPSA-N 2 0 359.474 0.752 20 0 FCADRP C[N@H+](CCOc1cccc(CNC(=O)C[C@@H](O)C[NH3+])c1)C1CCOCC1 ZINC001121916730 1222223470 /nfs/dbraw/zinc/22/34/70/1222223470.db2.gz IHTRAKITBRDGDO-QGZVFWFLSA-N 2 0 365.474 0.502 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001121923323 1222224712 /nfs/dbraw/zinc/22/47/12/1222224712.db2.gz XPFCBXYTYBFGDI-DOTOQJQBSA-N 2 0 368.522 0.626 20 0 FCADRP CCNC(=O)CN1CCCN(C(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)CC1 ZINC001121946055 1222227104 /nfs/dbraw/zinc/22/71/04/1222227104.db2.gz KSIFXIWGQJHKRR-IRJFHVNHSA-N 2 0 358.486 0.716 20 0 FCADRP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001122358950 1222267068 /nfs/dbraw/zinc/26/70/68/1222267068.db2.gz YOHGOKNINHXRPB-INIZCTEOSA-N 2 0 364.494 0.255 20 0 FCADRP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001123696009 1222351424 /nfs/dbraw/zinc/35/14/24/1222351424.db2.gz YYZQKDCRTGEDDT-RYRKJORJSA-N 2 0 360.506 0.936 20 0 FCADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C[C@H]2C1 ZINC001161175941 1222398610 /nfs/dbraw/zinc/39/86/10/1222398610.db2.gz PXRSHMMXNTVYPY-KSZLIROESA-N 2 0 358.486 0.473 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000828284777 1222399510 /nfs/dbraw/zinc/39/95/10/1222399510.db2.gz RXJJPWCREDARNI-GVDBMIGSSA-N 2 0 366.506 0.345 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000832544064 1222533246 /nfs/dbraw/zinc/53/32/46/1222533246.db2.gz KZVVDDNUSUPTLD-UHFFFAOYSA-N 2 0 361.490 0.730 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc4ccncc4[nH]3)C2)OCC1=O ZINC001277578191 1226133272 /nfs/dbraw/zinc/13/32/72/1226133272.db2.gz ADFGUOLVIOWTAQ-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000835884190 1222612183 /nfs/dbraw/zinc/61/21/83/1222612183.db2.gz PZSZJDVIUZRJBG-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC3(CC2)CNC(=O)CO3)CC1 ZINC001140971415 1222626411 /nfs/dbraw/zinc/62/64/11/1222626411.db2.gz UWJCZFBFUJHEQA-UHFFFAOYSA-N 2 0 358.486 0.919 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302257 1222676910 /nfs/dbraw/zinc/67/69/10/1222676910.db2.gz OKINPPJLVGADEY-SJORKVTESA-N 2 0 367.538 0.565 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000841200536 1222813400 /nfs/dbraw/zinc/81/34/00/1222813400.db2.gz OXLQVEINHNFITN-HOTGVXAUSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000841210167 1222813750 /nfs/dbraw/zinc/81/37/50/1222813750.db2.gz QQXLQJAWQODOQT-CVEARBPZSA-N 2 0 373.501 0.976 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000841229406 1222814952 /nfs/dbraw/zinc/81/49/52/1222814952.db2.gz DVJVVQOOJORMGU-GASCZTMLSA-N 2 0 357.458 0.055 20 0 FCADRP COC(=O)c1ccc(C2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)cc1 ZINC001161220739 1222816434 /nfs/dbraw/zinc/81/64/34/1222816434.db2.gz AKIBKRVEFSSGHG-KRWDZBQOSA-N 2 0 360.458 0.149 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846338 1222830119 /nfs/dbraw/zinc/83/01/19/1222830119.db2.gz HWCDJQHWGFGKOK-HOTGVXAUSA-N 2 0 374.441 0.402 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000842096452 1222835541 /nfs/dbraw/zinc/83/55/41/1222835541.db2.gz BGDLMAAWSUJVLN-OKZBNKHCSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000842190601 1222839744 /nfs/dbraw/zinc/83/97/44/1222839744.db2.gz UYIPRHRKQGXPBS-WRWLIDTKSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000842271155 1222845787 /nfs/dbraw/zinc/84/57/87/1222845787.db2.gz CLURHDRNFNBZEV-UHFFFAOYSA-N 2 0 358.486 0.655 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1)N1CC[NH2+]CC1 ZINC000843047311 1222857356 /nfs/dbraw/zinc/85/73/56/1222857356.db2.gz QNQCZXTUCDYJMU-KRWDZBQOSA-N 2 0 354.458 0.911 20 0 FCADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346687 1222871073 /nfs/dbraw/zinc/87/10/73/1222871073.db2.gz GTDCQBOHIQTNSW-RYUDHWBXSA-N 2 0 374.445 0.382 20 0 FCADRP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000843499299 1222879086 /nfs/dbraw/zinc/87/90/86/1222879086.db2.gz YQGYOCMNEOXVAJ-MRXNPFEDSA-N 2 0 362.474 0.678 20 0 FCADRP Cc1nc(N)ccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277696492 1226160619 /nfs/dbraw/zinc/16/06/19/1226160619.db2.gz WIHCDTXVUCWGBC-LJQANCHMSA-N 2 0 361.490 0.585 20 0 FCADRP CN(C)C(=O)CN1CCCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001154931497 1223020943 /nfs/dbraw/zinc/02/09/43/1223020943.db2.gz PBDMRDZEWLXDQG-UHFFFAOYSA-N 2 0 356.430 0.503 20 0 FCADRP c1cc(OCC2CC[NH2+]CC2)nnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155429479 1223035096 /nfs/dbraw/zinc/03/50/96/1223035096.db2.gz LNERNRXZRLTNQJ-UHFFFAOYSA-N 2 0 358.450 0.552 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001157322925 1223073839 /nfs/dbraw/zinc/07/38/39/1223073839.db2.gz DUVWUTMQYPWTNZ-DOTOQJQBSA-N 2 0 374.485 0.429 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001157449090 1223076900 /nfs/dbraw/zinc/07/69/00/1223076900.db2.gz RDMOCQBVYJUVSP-KXBFYZLASA-N 2 0 367.490 0.808 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001157449104 1223076907 /nfs/dbraw/zinc/07/69/07/1223076907.db2.gz RMHFJWWHHRGUDB-JKSUJKDBSA-N 2 0 366.506 0.333 20 0 FCADRP Cc1ccc([C@@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720577 1223081285 /nfs/dbraw/zinc/08/12/85/1223081285.db2.gz MCCARHSXGRMXLQ-MOPGFXCFSA-N 2 0 360.502 0.778 20 0 FCADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001157842087 1223082804 /nfs/dbraw/zinc/08/28/04/1223082804.db2.gz IYWNJXPJAXEWCS-PMPSAXMXSA-N 2 0 361.490 0.895 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935114 1223084113 /nfs/dbraw/zinc/08/41/13/1223084113.db2.gz RNGCLNCGFFVYSI-RLFYNMQTSA-N 2 0 372.485 0.147 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC001157968574 1223085108 /nfs/dbraw/zinc/08/51/08/1223085108.db2.gz JQYLJPYUPDCMGH-ZWKOTPCHSA-N 2 0 352.438 0.828 20 0 FCADRP O=C([C@@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070867 1223087907 /nfs/dbraw/zinc/08/79/07/1223087907.db2.gz PQFDLEFYDFUZPN-HNNXBMFYSA-N 2 0 359.474 0.115 20 0 FCADRP O=C([C@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070868 1223088008 /nfs/dbraw/zinc/08/80/08/1223088008.db2.gz PQFDLEFYDFUZPN-OAHLLOKOSA-N 2 0 359.474 0.115 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071047 1223088069 /nfs/dbraw/zinc/08/80/69/1223088069.db2.gz SMBRUCKYWXZOTK-IBGZPJMESA-N 2 0 372.513 0.832 20 0 FCADRP O=C(C1=CC2(CC[NH2+]CC2)c2ccccc21)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093542 1223088444 /nfs/dbraw/zinc/08/84/44/1223088444.db2.gz XAQYXYLTQKADET-NRFANRHFSA-N 2 0 366.465 0.395 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)Cc1c[nH]c2ccccc12 ZINC001158093158 1223088749 /nfs/dbraw/zinc/08/87/49/1223088749.db2.gz UZPGQAHOEWIQOO-IFXJQAMLSA-N 2 0 355.442 0.118 20 0 FCADRP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158101805 1223089185 /nfs/dbraw/zinc/08/91/85/1223089185.db2.gz LZWYZOQSRDTHLA-UZLBHIALSA-N 2 0 358.486 0.544 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170102 1223090159 /nfs/dbraw/zinc/09/01/59/1223090159.db2.gz VSWPBAQXGRXIRB-QRWLVFNGSA-N 2 0 354.454 0.841 20 0 FCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])Cc1cn(COCc2ccccc2)cn1 ZINC001158187033 1223090799 /nfs/dbraw/zinc/09/07/99/1223090799.db2.gz LLSJWSWLHGVYLO-IPCDKGFNSA-N 2 0 369.469 0.877 20 0 FCADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001158250201 1223091496 /nfs/dbraw/zinc/09/14/96/1223091496.db2.gz XOHSRSVJEXHUES-HZPDHXFCSA-N 2 0 361.490 0.728 20 0 FCADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263209 1223092314 /nfs/dbraw/zinc/09/23/14/1223092314.db2.gz ZXNCCUPIJGDZAB-HNAYVOBHSA-N 2 0 374.489 0.248 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1Cc2ccccc2C1 ZINC001158277800 1223093382 /nfs/dbraw/zinc/09/33/82/1223093382.db2.gz VGDBBDOJIDSUGI-SFHVURJKSA-N 2 0 366.469 0.441 20 0 FCADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281856 1223093392 /nfs/dbraw/zinc/09/33/92/1223093392.db2.gz DFLVXRNTOFNSOM-SJORKVTESA-N 2 0 364.494 0.158 20 0 FCADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158292814 1223093849 /nfs/dbraw/zinc/09/38/49/1223093849.db2.gz PNLFZPAQZIEMSY-UHFFFAOYSA-N 2 0 366.469 0.701 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001158282486 1223094016 /nfs/dbraw/zinc/09/40/16/1223094016.db2.gz SMJABXKOVDHITB-OIISXLGYSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCCc2ccccc2)CC[N@@H+]1C ZINC001158380116 1223096048 /nfs/dbraw/zinc/09/60/48/1223096048.db2.gz NBPHTTUTHUBMFB-SJLPKXTDSA-N 2 0 360.502 0.781 20 0 FCADRP CCCn1nccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158381144 1223096100 /nfs/dbraw/zinc/09/61/00/1223096100.db2.gz YOBVWBHWJCADGF-HUUCEWRRSA-N 2 0 364.494 0.668 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1C ZINC001158411266 1223096676 /nfs/dbraw/zinc/09/66/76/1223096676.db2.gz BKZQYCNAUHBSQE-BPQIPLTHSA-N 2 0 367.490 0.983 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001158467483 1223099469 /nfs/dbraw/zinc/09/94/69/1223099469.db2.gz IIWKOHFCAFJEQP-ZRGWGRIASA-N 3 0 366.506 0.224 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001158495630 1223099952 /nfs/dbraw/zinc/09/99/52/1223099952.db2.gz AHSLUKRWXICTHM-XHWCBRGXSA-N 2 0 365.474 0.287 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC2)CC1 ZINC001158512724 1223100742 /nfs/dbraw/zinc/10/07/42/1223100742.db2.gz ACXJLNGABFESRW-LJQANCHMSA-N 2 0 366.506 0.333 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001158514596 1223100844 /nfs/dbraw/zinc/10/08/44/1223100844.db2.gz ZFHJYQWIPBCMOO-OKZBNKHCSA-N 2 0 357.454 0.740 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533302 1223101814 /nfs/dbraw/zinc/10/18/14/1223101814.db2.gz JZHLWNNNGRVSPZ-YNVMFWSZSA-N 3 0 362.518 0.430 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533823 1223101947 /nfs/dbraw/zinc/10/19/47/1223101947.db2.gz QEJIVNVWSQNBJN-XKGFGPFHSA-N 2 0 372.513 0.862 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@]34C(=O)Nc3ccccc34)C[C@@H]2CF)CC1 ZINC001158566633 1223102580 /nfs/dbraw/zinc/10/25/80/1223102580.db2.gz BXJIMSLYCSCSIE-XSRSJLKASA-N 2 0 372.444 0.631 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158578987 1223102948 /nfs/dbraw/zinc/10/29/48/1223102948.db2.gz NNAPLLKAWDHXJW-PMPSAXMXSA-N 2 0 362.449 0.208 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158659579 1223104037 /nfs/dbraw/zinc/10/40/37/1223104037.db2.gz PGNNTGFWIAHELM-AWEZNQCLSA-N 3 0 373.461 0.361 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001158697838 1223105421 /nfs/dbraw/zinc/10/54/21/1223105421.db2.gz IEHFYYXMHKZDFK-FOIQADDNSA-N 3 0 374.533 0.609 20 0 FCADRP CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)c1ncnc2c1CC[NH2+]CC2 ZINC001158760007 1223107314 /nfs/dbraw/zinc/10/73/14/1223107314.db2.gz WTCYYVTVAMUXFK-RRQGHBQHSA-N 2 0 359.474 0.673 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158925181 1223112665 /nfs/dbraw/zinc/11/26/65/1223112665.db2.gz HVEDWLBEKJDYCB-IBGZPJMESA-N 2 0 362.449 0.715 20 0 FCADRP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158958057 1223113594 /nfs/dbraw/zinc/11/35/94/1223113594.db2.gz DKNVUXVBUOTSAT-ZDUSSCGKSA-N 2 0 365.478 0.886 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031600 1223115767 /nfs/dbraw/zinc/11/57/67/1223115767.db2.gz ZHKZFCXDIQOHSF-KRWDZBQOSA-N 2 0 373.501 0.879 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001159119490 1223117786 /nfs/dbraw/zinc/11/77/86/1223117786.db2.gz NHBOAHAXYURIJR-UHFFFAOYSA-N 2 0 366.550 0.853 20 0 FCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001159191023 1223120183 /nfs/dbraw/zinc/12/01/83/1223120183.db2.gz QGFJBXRBQISILX-OCCSQVGLSA-N 2 0 363.462 0.239 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192896 1223120350 /nfs/dbraw/zinc/12/03/50/1223120350.db2.gz YTVPLRDKUYGIKB-QAPCUYQASA-N 2 0 361.490 0.595 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccccc1C[NH3+])CC2 ZINC001159191095 1223120385 /nfs/dbraw/zinc/12/03/85/1223120385.db2.gz BPAMGDFOAMQYBE-UHFFFAOYSA-N 2 0 371.441 0.623 20 0 FCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236253 1223121574 /nfs/dbraw/zinc/12/15/74/1223121574.db2.gz MXNWEUBBNXZMKD-HWWDLCQESA-N 2 0 352.442 0.422 20 0 FCADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001159259203 1223122217 /nfs/dbraw/zinc/12/22/17/1223122217.db2.gz XUPZWTQMCNQJPF-YQVWRLOYSA-N 2 0 371.485 0.419 20 0 FCADRP Cc1cccc(N(C(=O)CN2CC[NH2+]CC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338857 1223124476 /nfs/dbraw/zinc/12/44/76/1223124476.db2.gz IVCOGWDCMDHAIF-ICSRJNTNSA-N 2 0 358.486 0.754 20 0 FCADRP Nc1ccc(N(c2cnc(N3CC[NH2+]CC3)nc2)C2CC[NH2+]CC2)nc1 ZINC001159321430 1223124504 /nfs/dbraw/zinc/12/45/04/1223124504.db2.gz BDSWTDAWPOPBMH-UHFFFAOYSA-N 2 0 354.462 0.754 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159330215 1223124804 /nfs/dbraw/zinc/12/48/04/1223124804.db2.gz PTRSWQUUIVTIJL-UKRRQHHQSA-N 2 0 366.437 0.816 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001159472173 1223127858 /nfs/dbraw/zinc/12/78/58/1223127858.db2.gz RNDVSMJCJSRBIH-WSTZPKSXSA-N 3 0 366.550 0.910 20 0 FCADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C3)n1 ZINC001159471109 1223127885 /nfs/dbraw/zinc/12/78/85/1223127885.db2.gz DQRLYUCWEHDFOW-RVKKMQEKSA-N 2 0 365.478 0.600 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@]1(C)CCC[NH2+]1)CCC2 ZINC001159481205 1223128014 /nfs/dbraw/zinc/12/80/14/1223128014.db2.gz JOZOBZURRANRJM-LJQANCHMSA-N 2 0 361.490 0.958 20 0 FCADRP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001159549178 1223129475 /nfs/dbraw/zinc/12/94/75/1223129475.db2.gz MRLBHLQPGWAMFQ-LIRRHRJNSA-N 2 0 359.474 0.494 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC[C@@H]21 ZINC001159533405 1223129500 /nfs/dbraw/zinc/12/95/00/1223129500.db2.gz FPULTDPGDAYANX-ZBRFXRBCSA-N 2 0 360.506 0.272 20 0 FCADRP O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550007 1223129652 /nfs/dbraw/zinc/12/96/52/1223129652.db2.gz UWYNFXSSUCBFDC-IBGZPJMESA-N 2 0 372.473 0.766 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)[C@@H]2C ZINC001159632941 1223131841 /nfs/dbraw/zinc/13/18/41/1223131841.db2.gz DDAFXFVVAITRMH-PBHICJAKSA-N 2 0 373.505 0.930 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159645008 1223132568 /nfs/dbraw/zinc/13/25/68/1223132568.db2.gz ZBKLYERLVRFZNF-HNNXBMFYSA-N 2 0 359.478 0.359 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667140 1223132766 /nfs/dbraw/zinc/13/27/66/1223132766.db2.gz SUXGMRIIRUDJKO-RTBURBONSA-N 2 0 373.501 0.225 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666209 1223133211 /nfs/dbraw/zinc/13/32/11/1223133211.db2.gz OYUNYUHLQVYGHQ-RCCFBDPRSA-N 2 0 370.457 0.176 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159722949 1223135217 /nfs/dbraw/zinc/13/52/17/1223135217.db2.gz NIDNEQHPUFILSC-ZIAGYGMSSA-N 2 0 371.445 0.263 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159750972 1223135458 /nfs/dbraw/zinc/13/54/58/1223135458.db2.gz NVFQJRUFUXLMHN-MAUKXSAKSA-N 2 0 362.478 0.093 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159746644 1223135707 /nfs/dbraw/zinc/13/57/07/1223135707.db2.gz JITULJSQFKEHFB-GVDBMIGSSA-N 2 0 360.458 0.052 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855102 1223138530 /nfs/dbraw/zinc/13/85/30/1223138530.db2.gz HVEZSWAFSQVUMG-SZMVWBNQSA-N 2 0 364.465 0.946 20 0 FCADRP [NH3+]CCNCC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888696 1223138931 /nfs/dbraw/zinc/13/89/31/1223138931.db2.gz VHFMOEAFGPXSCJ-KRWDZBQOSA-N 2 0 367.444 0.690 20 0 FCADRP [NH3+][C@H](C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)C1CC[NH2+]CC1 ZINC001159980742 1223141485 /nfs/dbraw/zinc/14/14/85/1223141485.db2.gz QWLRVQZCUGDAEQ-KRWDZBQOSA-N 2 0 357.462 0.187 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160083739 1223144787 /nfs/dbraw/zinc/14/47/87/1223144787.db2.gz BSLZWANXVBPYMD-GJYPPUQNSA-N 2 0 359.474 0.393 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086546 1223145074 /nfs/dbraw/zinc/14/50/74/1223145074.db2.gz UYLLLKYVZBKRFB-UWVAXJGDSA-N 2 0 371.485 0.263 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086548 1223145221 /nfs/dbraw/zinc/14/52/21/1223145221.db2.gz UYLLLKYVZBKRFB-ZWOKBUDYSA-N 2 0 371.485 0.263 20 0 FCADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CCO2 ZINC001160177972 1223148232 /nfs/dbraw/zinc/14/82/32/1223148232.db2.gz DCPSLSRIQSXBGT-LPHOPBHVSA-N 2 0 364.490 0.101 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160229837 1223150884 /nfs/dbraw/zinc/15/08/84/1223150884.db2.gz DEPKVUOSZRWESC-BBRMVZONSA-N 2 0 368.432 0.607 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160359022 1223156430 /nfs/dbraw/zinc/15/64/30/1223156430.db2.gz WLHBNMNZIGEYIG-GOSISDBHSA-N 2 0 364.446 0.052 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408854 1223158042 /nfs/dbraw/zinc/15/80/42/1223158042.db2.gz UTPAQSSFDFQJIB-NSHDSACASA-N 2 0 365.388 0.682 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1F)C1CC[NH2+]CC1 ZINC001160420740 1223158465 /nfs/dbraw/zinc/15/84/65/1223158465.db2.gz KJUZNIGGIBQFQZ-HNNXBMFYSA-N 2 0 360.433 0.965 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001160422495 1223159193 /nfs/dbraw/zinc/15/91/93/1223159193.db2.gz HACXNTPTRZZKGT-BHNDVYRESA-N 2 0 358.486 0.863 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001160423938 1223159365 /nfs/dbraw/zinc/15/93/65/1223159365.db2.gz NYOXWQZPBUEWJS-IQZDNPOKSA-N 2 0 358.486 0.721 20 0 FCADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH3+])CC1 ZINC001160513352 1223163550 /nfs/dbraw/zinc/16/35/50/1223163550.db2.gz CMNUGZQPGDUDKR-QGZVFWFLSA-N 2 0 371.485 0.882 20 0 FCADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001160541849 1223164152 /nfs/dbraw/zinc/16/41/52/1223164152.db2.gz JJVQTTBNHYAACA-GJZGRUSLSA-N 2 0 368.441 0.113 20 0 FCADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001160541850 1223164198 /nfs/dbraw/zinc/16/41/98/1223164198.db2.gz JJVQTTBNHYAACA-LSDHHAIUSA-N 2 0 368.441 0.113 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621012 1223166714 /nfs/dbraw/zinc/16/67/14/1223166714.db2.gz IRPMHVICANRZKB-HNNXBMFYSA-N 2 0 370.432 0.159 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)CCO1 ZINC001160643571 1223167548 /nfs/dbraw/zinc/16/75/48/1223167548.db2.gz JEOICCYKOAQDAK-MAUKXSAKSA-N 2 0 357.458 0.300 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766286 1223171767 /nfs/dbraw/zinc/17/17/67/1223171767.db2.gz JFOQOYYPJCPALT-BBWFWOEESA-N 2 0 372.469 0.347 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C)[C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]1C2 ZINC001160794530 1223173253 /nfs/dbraw/zinc/17/32/53/1223173253.db2.gz PPQWGJAHHUGPBR-ZLGGJNDVSA-N 2 0 363.502 0.868 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160810795 1223174646 /nfs/dbraw/zinc/17/46/46/1223174646.db2.gz GEAYNDVWZTZHRB-MBOZVWFJSA-N 2 0 357.454 0.702 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880285 1223178913 /nfs/dbraw/zinc/17/89/13/1223178913.db2.gz XBMSQLYVMNNMLA-HNNXBMFYSA-N 2 0 370.453 0.944 20 0 FCADRP [NH3+]Cc1cc2ccncc2n1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160963013 1223182290 /nfs/dbraw/zinc/18/22/90/1223182290.db2.gz QXBRQEPXNDOBLA-UHFFFAOYSA-N 2 0 351.414 0.714 20 0 FCADRP COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161145737 1223187139 /nfs/dbraw/zinc/18/71/39/1223187139.db2.gz ITMRYEIXMFVZNR-IRXDYDNUSA-N 2 0 362.474 0.329 20 0 FCADRP Cc1cc(F)cc(CN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C2CC[NH2+]CC2)c1 ZINC001161281799 1223193334 /nfs/dbraw/zinc/19/33/34/1223193334.db2.gz MEYGUIOMTUMVGH-GOSISDBHSA-N 2 0 374.460 0.693 20 0 FCADRP Cc1cccc(N(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C2CC[NH2+]CC2)n1 ZINC001161301956 1223195084 /nfs/dbraw/zinc/19/50/84/1223195084.db2.gz CGYVLLCPXZMDGX-QGZVFWFLSA-N 3 0 360.506 0.225 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C2CC[NH2+]CC2)n1 ZINC001161308385 1223195181 /nfs/dbraw/zinc/19/51/81/1223195181.db2.gz BCNSAOFFRPWFRU-AUUYWEPGSA-N 3 0 374.489 0.078 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001161318733 1223196045 /nfs/dbraw/zinc/19/60/45/1223196045.db2.gz YJJBXIFWEWTATG-CZUORRHYSA-N 2 0 372.444 0.582 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC001161412623 1223198341 /nfs/dbraw/zinc/19/83/41/1223198341.db2.gz LKOIUFJCUHDUIK-OYSTVDSJSA-N 2 0 370.497 0.662 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]1CN(Cc2ccccc2)CC1=O)[C@H]1CCC[NH2+]C1 ZINC001161444066 1223199126 /nfs/dbraw/zinc/19/91/26/1223199126.db2.gz BDZHKSNXEXGQIN-OALUTQOASA-N 2 0 372.513 0.830 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])c1cccc(OC)c1)CC2 ZINC001161480222 1223200772 /nfs/dbraw/zinc/20/07/72/1223200772.db2.gz OGKBLUCQPHZDDQ-GJYPPUQNSA-N 2 0 361.442 0.839 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1)CC2 ZINC001161479719 1223200804 /nfs/dbraw/zinc/20/08/04/1223200804.db2.gz LPQJRCLPFZLKGE-MNEFBYGVSA-N 2 0 363.433 0.839 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1ccc(C)cc1C)CC2 ZINC001161479963 1223200920 /nfs/dbraw/zinc/20/09/20/1223200920.db2.gz RGEJMXDXBGUWED-QKLQHJQFSA-N 2 0 359.470 0.927 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)CC2 ZINC001161479935 1223200988 /nfs/dbraw/zinc/20/09/88/1223200988.db2.gz RANZPXISSQKNDU-TXPKVOOTSA-N 2 0 361.442 0.319 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)CC2 ZINC001161481613 1223201504 /nfs/dbraw/zinc/20/15/04/1223201504.db2.gz YNAAIHQCUHVJCB-MPGHIAIKSA-N 2 0 367.396 0.588 20 0 FCADRP COCCC1(CNc2ncccc2C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001161502750 1223202728 /nfs/dbraw/zinc/20/27/28/1223202728.db2.gz JXORRUPKFYNVGR-UHFFFAOYSA-N 2 0 361.490 0.945 20 0 FCADRP Cc1ccc([C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)N2CCC[NH2+]CC2)cc1 ZINC001161509195 1223202956 /nfs/dbraw/zinc/20/29/56/1223202956.db2.gz IOBXGKLWEMJDSM-ROUUACIJSA-N 2 0 358.486 0.518 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161514731 1223203390 /nfs/dbraw/zinc/20/33/90/1223203390.db2.gz RXRWPOIYYUSVJF-QGZVFWFLSA-N 2 0 364.465 0.999 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c2cc3ccccc3o2)C1 ZINC001161511422 1223203508 /nfs/dbraw/zinc/20/35/08/1223203508.db2.gz ZJFPJEOPLFGOFV-FHLIZLRMSA-N 2 0 370.453 0.693 20 0 FCADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001162092917 1223210731 /nfs/dbraw/zinc/21/07/31/1223210731.db2.gz PEBCWJQRLWGCBV-AWEZNQCLSA-N 2 0 361.494 0.006 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001162532298 1223217515 /nfs/dbraw/zinc/21/75/15/1223217515.db2.gz QDRZONFKYUPUPF-UHFFFAOYSA-N 2 0 360.418 0.772 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001162540639 1223218041 /nfs/dbraw/zinc/21/80/41/1223218041.db2.gz ALSXSXRZPNKCCR-LLVKDONJSA-N 2 0 355.402 0.627 20 0 FCADRP O=C1Nc2c(cccc2NCc2nnn3c2C[NH2+]CCC3)C12CC[NH2+]CC2 ZINC001162978822 1223222532 /nfs/dbraw/zinc/22/25/32/1223222532.db2.gz GXCOXUGFTXWBDY-UHFFFAOYSA-N 2 0 367.457 0.957 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(NCc3nnn4c3C[NH2+]CCC4)cc2)CC1 ZINC001162980200 1223223557 /nfs/dbraw/zinc/22/35/57/1223223557.db2.gz WLCKLEFGUAEAIT-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP Cc1ncc(C[NH2+]CC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)cn1 ZINC001165728804 1223255410 /nfs/dbraw/zinc/25/54/10/1223255410.db2.gz UVJUCNLYMMRODM-RHSMWYFYSA-N 2 0 361.490 0.880 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2C[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937530 1223262638 /nfs/dbraw/zinc/26/26/38/1223262638.db2.gz LBTRPFZGNXEMEC-NSHDSACASA-N 2 0 353.430 0.536 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334872 1223319964 /nfs/dbraw/zinc/31/99/64/1223319964.db2.gz RZUBBLXWYSTNSJ-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432064 1223323549 /nfs/dbraw/zinc/32/35/49/1223323549.db2.gz AIOWGOMQOKOHHR-XOKHGSTOSA-N 2 0 364.465 0.796 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205630411 1223333692 /nfs/dbraw/zinc/33/36/92/1223333692.db2.gz ZHTJAUMHAQKXDM-GOEBONIOSA-N 2 0 364.465 0.925 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648761 1223334083 /nfs/dbraw/zinc/33/40/83/1223334083.db2.gz RLLMHIPGTMOPOO-JLJPHGGASA-N 2 0 364.465 0.796 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001205652888 1223334194 /nfs/dbraw/zinc/33/41/94/1223334194.db2.gz CYYFLDORRLPLGI-UAGQMJEPSA-N 2 0 364.465 0.796 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(CC[C@@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001205865039 1223340481 /nfs/dbraw/zinc/34/04/81/1223340481.db2.gz DVAOUJBXTQUNRM-OAHLLOKOSA-N 2 0 358.446 0.229 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980306 1223401211 /nfs/dbraw/zinc/40/12/11/1223401211.db2.gz UDXDGYUTJUHGTC-DJIMGWMZSA-N 2 0 365.522 0.472 20 0 FCADRP Cc1cnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1 ZINC001207075028 1223412450 /nfs/dbraw/zinc/41/24/50/1223412450.db2.gz KNZQTHRFIMBQLW-UHFFFAOYSA-N 2 0 360.506 0.455 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)CC1 ZINC001207396794 1223443548 /nfs/dbraw/zinc/44/35/48/1223443548.db2.gz UUBVBFPMEULHGN-ZACQAIPSSA-N 2 0 359.474 0.951 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001208071303 1223512971 /nfs/dbraw/zinc/51/29/71/1223512971.db2.gz ZNOGAXAXLSSHPM-HLLBOEOZSA-N 2 0 362.474 0.817 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073195 1223513344 /nfs/dbraw/zinc/51/33/44/1223513344.db2.gz FAOIIYKZZGYUPU-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001208070362 1223513501 /nfs/dbraw/zinc/51/35/01/1223513501.db2.gz KGQMIFDAYBRNPB-QLFBSQMISA-N 2 0 360.462 0.336 20 0 FCADRP COCCNC(=O)[C@@H]1Cn2nccc2C[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110911 1223516296 /nfs/dbraw/zinc/51/62/96/1223516296.db2.gz XWZYBKCAIKREFO-INIZCTEOSA-N 2 0 363.506 0.809 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208110884 1223516646 /nfs/dbraw/zinc/51/66/46/1223516646.db2.gz WRSDKNNNXOMFQF-HXUWFJFHSA-N 2 0 366.550 0.879 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496481 1223551742 /nfs/dbraw/zinc/55/17/42/1223551742.db2.gz VMIVGXYSOFPMDX-UWWQBHOKSA-N 2 0 367.465 0.954 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604197 1223562823 /nfs/dbraw/zinc/56/28/23/1223562823.db2.gz DKWRIYFAZIQANN-ATZDWAIDSA-N 2 0 363.502 0.848 20 0 FCADRP CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630203 1223608869 /nfs/dbraw/zinc/60/88/69/1223608869.db2.gz MGLRCGRLTSTMKL-ICSRJNTNSA-N 2 0 366.550 0.973 20 0 FCADRP COCCCNC(=O)[C@@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276636612 1223613462 /nfs/dbraw/zinc/61/34/62/1223613462.db2.gz PJKIISBUAUCRDU-SFHVURJKSA-N 2 0 366.550 0.879 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCN3CCOCC3)C2)C1=O ZINC001209514183 1223625968 /nfs/dbraw/zinc/62/59/68/1223625968.db2.gz IIRTZGLABMNQOW-ZACQAIPSSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684811 1223693917 /nfs/dbraw/zinc/69/39/17/1223693917.db2.gz FCPNSPQHIFUZEJ-UZLBHIALSA-N 2 0 359.470 0.954 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322670 1223783840 /nfs/dbraw/zinc/78/38/40/1223783840.db2.gz NFQDUUIIHZCBDN-KZNAEPCWSA-N 2 0 371.522 0.587 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377991 1223792168 /nfs/dbraw/zinc/79/21/68/1223792168.db2.gz AJZBBXYWFWDPQT-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001213455498 1223801317 /nfs/dbraw/zinc/80/13/17/1223801317.db2.gz DXAZLBVPTHSZLY-RCCFBDPRSA-N 2 0 371.522 0.728 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1OC ZINC001213678164 1223831628 /nfs/dbraw/zinc/83/16/28/1223831628.db2.gz HVLYQUYVVKZGEE-IAGOWNOFSA-N 2 0 366.510 0.606 20 0 FCADRP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753196 1223844106 /nfs/dbraw/zinc/84/41/06/1223844106.db2.gz CALFKBGAPGYZQJ-HZPDHXFCSA-N 2 0 367.494 0.858 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213756313 1223844723 /nfs/dbraw/zinc/84/47/23/1223844723.db2.gz RKWRBAKNAGBFIA-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755988 1223844813 /nfs/dbraw/zinc/84/48/13/1223844813.db2.gz LQORIVJDXYZDEK-GVDBMIGSSA-N 2 0 370.538 0.791 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755986 1223844966 /nfs/dbraw/zinc/84/49/66/1223844966.db2.gz LQORIVJDXYZDEK-BRWVUGGUSA-N 2 0 370.538 0.791 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213769088 1223846502 /nfs/dbraw/zinc/84/65/02/1223846502.db2.gz HSGWXUNZUCARKO-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974235 1223879821 /nfs/dbraw/zinc/87/98/21/1223879821.db2.gz NRSZEIQIZUJNPB-QZTJIDSGSA-N 2 0 371.522 0.731 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655160 1223929522 /nfs/dbraw/zinc/92/95/22/1223929522.db2.gz BMIQOFQSNJTXRU-GDBMZVCRSA-N 2 0 364.494 0.019 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214661887 1223930362 /nfs/dbraw/zinc/93/03/62/1223930362.db2.gz JARUNQHJPSYKOK-JOCBIADPSA-N 2 0 373.501 0.475 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)no1 ZINC001214861088 1223949053 /nfs/dbraw/zinc/94/90/53/1223949053.db2.gz HTVNODNBACKBRE-IUODEOHRSA-N 2 0 363.462 0.842 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861132 1223949160 /nfs/dbraw/zinc/94/91/60/1223949160.db2.gz IZHAHKDTMJPQKI-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)on1 ZINC001214973292 1223960791 /nfs/dbraw/zinc/96/07/91/1223960791.db2.gz QKLMPSSGIDVFFV-BPLDGKMQSA-N 2 0 363.462 0.842 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122150 1223975463 /nfs/dbraw/zinc/97/54/63/1223975463.db2.gz LFQKULYJZAMHEK-RHSMWYFYSA-N 2 0 370.457 0.844 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1C ZINC001215161925 1223978958 /nfs/dbraw/zinc/97/89/58/1223978958.db2.gz GSZGUWFBZBUXNN-GDBMZVCRSA-N 2 0 361.490 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001215423688 1223999022 /nfs/dbraw/zinc/99/90/22/1223999022.db2.gz RKGPKGFTPGFJBK-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCn1cnc2ccccc2c1=O ZINC001215461222 1224000586 /nfs/dbraw/zinc/00/05/86/1224000586.db2.gz XBFBVWLAPUBKRO-CRAIPNDOSA-N 2 0 371.485 0.785 20 0 FCADRP Cc1ccc(O)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276724385 1224005171 /nfs/dbraw/zinc/00/51/71/1224005171.db2.gz RLNHZBCEUXGSOS-IBGZPJMESA-N 2 0 362.474 0.708 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCc3ccco3)C2)C1 ZINC001215539919 1224005265 /nfs/dbraw/zinc/00/52/65/1224005265.db2.gz CPUZBCREBBRMEY-BFYDXBDKSA-N 2 0 362.474 0.674 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568372 1224006246 /nfs/dbraw/zinc/00/62/46/1224006246.db2.gz NOPNOGCVFQLYJS-MGPQQGTHSA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1)[NH+]1CCCC1 ZINC001215598570 1224008061 /nfs/dbraw/zinc/00/80/61/1224008061.db2.gz DJILKQOCPSNORV-SOLBZPMBSA-N 2 0 363.506 0.858 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001215598996 1224008660 /nfs/dbraw/zinc/00/86/60/1224008660.db2.gz MREXGSALVIHRNU-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216001491 1224029394 /nfs/dbraw/zinc/02/93/94/1224029394.db2.gz DUCGUSUVANDUPV-HUUCEWRRSA-N 2 0 365.526 0.749 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001216401533 1224048563 /nfs/dbraw/zinc/04/85/63/1224048563.db2.gz KPHYZGQUKKYQDX-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216515468 1224054339 /nfs/dbraw/zinc/05/43/39/1224054339.db2.gz QRMFEBKBQUVGHQ-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001216757585 1224069148 /nfs/dbraw/zinc/06/91/48/1224069148.db2.gz DIOGWBLYFCJZBS-SOLBZPMBSA-N 2 0 365.474 0.689 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001216757898 1224069391 /nfs/dbraw/zinc/06/93/91/1224069391.db2.gz QCQPLDWUWRVOFR-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216758203 1224069525 /nfs/dbraw/zinc/06/95/25/1224069525.db2.gz ZLSWAYXXEXSBBF-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001216772843 1224071110 /nfs/dbraw/zinc/07/11/10/1224071110.db2.gz MYOGXPRFCCZCRZ-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)c1 ZINC001217010378 1224084377 /nfs/dbraw/zinc/08/43/77/1224084377.db2.gz OFFXBSGSFRKQPD-SJLPKXTDSA-N 2 0 369.469 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001217010715 1224084520 /nfs/dbraw/zinc/08/45/20/1224084520.db2.gz ULPYBVUNTRANJO-CZUORRHYSA-N 2 0 357.414 0.664 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000988029572 1249305112 /nfs/dbraw/zinc/30/51/12/1249305112.db2.gz AZORFBIMIQGCNA-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)=CC(=O)N1C[C@@H](c2cncn2C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000993590143 1249748805 /nfs/dbraw/zinc/74/88/05/1249748805.db2.gz CXGSVUCSDMFRHC-OAGGEKHMSA-N 2 0 359.474 0.891 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000847500437 1245340981 /nfs/dbraw/zinc/34/09/81/1245340981.db2.gz JCYUZJQALHQTBL-FQEVSTJZSA-N 2 0 374.529 0.927 20 0 FCADRP CN1CC[NH+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000849060652 1245391415 /nfs/dbraw/zinc/39/14/15/1245391415.db2.gz JJWOTLSSKJEJMM-UHFFFAOYSA-N 2 0 360.510 0.151 20 0 FCADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849111506 1245393121 /nfs/dbraw/zinc/39/31/21/1245393121.db2.gz QOJPNRUSBBVHTB-ZDUSSCGKSA-N 2 0 370.498 0.212 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891580287 1245456567 /nfs/dbraw/zinc/45/65/67/1245456567.db2.gz VZJHGKLBCRIMNY-KRWDZBQOSA-N 2 0 367.538 0.472 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000893398826 1245460758 /nfs/dbraw/zinc/46/07/58/1245460758.db2.gz QVJAPEGIDHNZHI-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517436 1245505255 /nfs/dbraw/zinc/50/52/55/1245505255.db2.gz JHMDIPCIDRNUIP-XOYOTBSWSA-N 2 0 356.470 0.670 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282342 1245706125 /nfs/dbraw/zinc/70/61/25/1245706125.db2.gz NQLQMURXGHSPFN-HOTGVXAUSA-N 2 0 365.449 0.709 20 0 FCADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325244 1245708182 /nfs/dbraw/zinc/70/81/82/1245708182.db2.gz BJGIUHFPOOSNEZ-LSDHHAIUSA-N 2 0 365.478 0.663 20 0 FCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000923480525 1245725050 /nfs/dbraw/zinc/72/50/50/1245725050.db2.gz ACXHFDXYCWRXSP-QGZVFWFLSA-N 2 0 360.502 0.806 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 ZINC000941273951 1246536028 /nfs/dbraw/zinc/53/60/28/1246536028.db2.gz UQSFFUJZUQKJOG-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941370356 1246580604 /nfs/dbraw/zinc/58/06/04/1246580604.db2.gz VNHNPUMVCZCSKS-BRWVUGGUSA-N 2 0 371.441 0.384 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217644 1250290819 /nfs/dbraw/zinc/29/08/19/1250290819.db2.gz QCDHQRQKWBVZEL-CRAIPNDOSA-N 2 0 364.534 0.881 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552659 1247129142 /nfs/dbraw/zinc/12/91/42/1247129142.db2.gz LTQCBSYBNSQQGM-ZACQAIPSSA-N 2 0 366.506 0.010 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1)[NH+](C)C ZINC000943465726 1247331239 /nfs/dbraw/zinc/33/12/39/1247331239.db2.gz MEXICWJBJIIWEA-BZUAXINKSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943590975 1247360523 /nfs/dbraw/zinc/36/05/23/1247360523.db2.gz AQUHXHVSJZNASV-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[NH+]2C)CC3)CC[N@@H+]1C ZINC000944884456 1247675697 /nfs/dbraw/zinc/67/56/97/1247675697.db2.gz PHAKUMFAPHRVDD-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000945985559 1247771327 /nfs/dbraw/zinc/77/13/27/1247771327.db2.gz DRBICRODMHACIU-FIDHJVLJSA-N 2 0 366.506 0.153 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000945987634 1247773508 /nfs/dbraw/zinc/77/35/08/1247773508.db2.gz ZZUZHUJDCRKZBA-MWDXBVQZSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)n2)CC1 ZINC001327806786 1265431116 /nfs/dbraw/zinc/43/11/16/1265431116.db2.gz VPYIHHDYTHUBEV-UHFFFAOYSA-N 2 0 360.422 0.426 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839680 1265440281 /nfs/dbraw/zinc/44/02/81/1265440281.db2.gz KDBALZWVFJHKTQ-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000946775129 1248006479 /nfs/dbraw/zinc/00/64/79/1248006479.db2.gz CJSCJEKWCQXDDL-ARFHVFGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001327865263 1265445467 /nfs/dbraw/zinc/44/54/67/1265445467.db2.gz XRRSFKMQMWTEFC-SFHVURJKSA-N 2 0 368.522 0.728 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC000974905536 1248185324 /nfs/dbraw/zinc/18/53/24/1248185324.db2.gz FMSAEPBWVGGIPQ-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)CC1 ZINC000974905788 1248186685 /nfs/dbraw/zinc/18/66/85/1248186685.db2.gz JJYJJDMORUPIAM-KZNAEPCWSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976602430 1248281481 /nfs/dbraw/zinc/28/14/81/1248281481.db2.gz RAXRLOKNPROHPD-OBRKIGFESA-N 2 0 362.518 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976607654 1248289913 /nfs/dbraw/zinc/28/99/13/1248289913.db2.gz IEEDGWXDJSBXIJ-WMOPWKTHSA-N 2 0 362.518 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000976607666 1248290859 /nfs/dbraw/zinc/29/08/59/1248290859.db2.gz IKEFYILEZNTDDO-QXDIGNSFSA-N 2 0 362.518 0.632 20 0 FCADRP CN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC001328038950 1265474738 /nfs/dbraw/zinc/47/47/38/1265474738.db2.gz RTHGURNKTRANJU-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP Cc1c(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC000995008511 1250723617 /nfs/dbraw/zinc/72/36/17/1250723617.db2.gz NAKWRRDNFODFAV-SJKOYZFVSA-N 2 0 355.442 0.924 20 0 FCADRP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC000996543393 1251376963 /nfs/dbraw/zinc/37/69/63/1251376963.db2.gz DGMROEBKZWZCEM-BDXSIMOUSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000996721898 1251425263 /nfs/dbraw/zinc/42/52/63/1251425263.db2.gz VZLUNLRQBKHQMX-BDXSIMOUSA-N 2 0 360.502 0.672 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCCO1 ZINC001328606939 1265586161 /nfs/dbraw/zinc/58/61/61/1265586161.db2.gz SELSPDJNYCAQNX-MSOLQXFVSA-N 2 0 357.458 0.377 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997885588 1251736622 /nfs/dbraw/zinc/73/66/22/1251736622.db2.gz IAHADERASOILJJ-BGTYHANMSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001328769914 1265609755 /nfs/dbraw/zinc/60/97/55/1265609755.db2.gz GBKLAFSWCTZXFA-ZDUSSCGKSA-N 2 0 370.444 0.969 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001002792980 1252676141 /nfs/dbraw/zinc/67/61/41/1252676141.db2.gz ZDVJWVCYBFDRRZ-SZXPJGKVSA-N 2 0 371.485 0.961 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001002820739 1252687213 /nfs/dbraw/zinc/68/72/13/1252687213.db2.gz TZNHDMMQHVMUPN-ZACQAIPSSA-N 2 0 360.502 0.959 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002918255 1252737842 /nfs/dbraw/zinc/73/78/42/1252737842.db2.gz OBXQBQUXDSQZJO-HZPDHXFCSA-N 2 0 359.474 0.440 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC001003340200 1252852256 /nfs/dbraw/zinc/85/22/56/1252852256.db2.gz GLHRFJLYAFPHCD-UKRRQHHQSA-N 2 0 359.474 0.676 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001003746822 1253088410 /nfs/dbraw/zinc/08/84/10/1253088410.db2.gz STHORGYEAVGILO-MKXGPGLRSA-N 2 0 374.529 0.918 20 0 FCADRP Cc1c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC001329282330 1265726112 /nfs/dbraw/zinc/72/61/12/1265726112.db2.gz RVOJHXNGZYSNLW-AWEZNQCLSA-N 2 0 363.510 0.124 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001006184056 1253722490 /nfs/dbraw/zinc/72/24/90/1253722490.db2.gz MPVJYFNQJPMJJS-HYVNUMGLSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@H+](CCN1CCN(CC(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC001329579444 1265785928 /nfs/dbraw/zinc/78/59/28/1265785928.db2.gz LWEHAQRELJZVEJ-UHFFFAOYSA-N 3 0 359.518 0.168 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1C[NH+](C)CCN1C ZINC001519902870 1265795753 /nfs/dbraw/zinc/79/57/53/1265795753.db2.gz VNLZNQJYEXOOET-HRCADAONSA-N 2 0 355.527 0.107 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@@H]4CCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035187850 1254018872 /nfs/dbraw/zinc/01/88/72/1254018872.db2.gz IIHQVJNZRWYDCH-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001062282768 1254256846 /nfs/dbraw/zinc/25/68/46/1254256846.db2.gz WMSAMGKHJRLXPJ-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001065210178 1254491654 /nfs/dbraw/zinc/49/16/54/1254491654.db2.gz BCWPFGHKNMCRCZ-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CCO1 ZINC001065212470 1254493449 /nfs/dbraw/zinc/49/34/49/1254493449.db2.gz NLSCDDVUYSUXPU-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065291697 1254500224 /nfs/dbraw/zinc/50/02/24/1254500224.db2.gz XTQKYMHGEHPRRG-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CCO2)CC[N@@H+]1C ZINC001065257709 1254500634 /nfs/dbraw/zinc/50/06/34/1254500634.db2.gz ZBGHUWOJPPBIAW-YESZJQIVSA-N 2 0 368.522 0.401 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001075798720 1254620190 /nfs/dbraw/zinc/62/01/90/1254620190.db2.gz LTOIYKULSOQCRO-IPMKNSEASA-N 2 0 357.502 0.837 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001329936484 1265899915 /nfs/dbraw/zinc/89/99/15/1265899915.db2.gz FUMFJJMCIKUHBS-HZPDHXFCSA-N 2 0 362.478 0.387 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001329936483 1265900706 /nfs/dbraw/zinc/90/07/06/1265900706.db2.gz FUMFJJMCIKUHBS-HOTGVXAUSA-N 2 0 362.478 0.387 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001329936485 1265900954 /nfs/dbraw/zinc/90/09/54/1265900954.db2.gz FUMFJJMCIKUHBS-JKSUJKDBSA-N 2 0 362.478 0.387 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077974969 1255139750 /nfs/dbraw/zinc/13/97/50/1255139750.db2.gz BSYUUYINYBOKJN-IPMKNSEASA-N 2 0 365.518 0.839 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078006116 1255162154 /nfs/dbraw/zinc/16/21/54/1255162154.db2.gz SMRPFCGWCKDLOB-QXAKKESOSA-N 2 0 360.502 0.756 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008759 1255165550 /nfs/dbraw/zinc/16/55/50/1255165550.db2.gz WBPFIKGLUMXZFC-BHIYHBOVSA-N 2 0 361.486 0.741 20 0 FCADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001078062950 1255199661 /nfs/dbraw/zinc/19/96/61/1255199661.db2.gz XBAXFXDLSZFVDE-ZMSDIMECSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001078403506 1255407378 /nfs/dbraw/zinc/40/73/78/1255407378.db2.gz ARSTUHAHFKYCMX-IXDOHACOSA-N 2 0 364.494 0.253 20 0 FCADRP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)nn1C ZINC001078405751 1255408916 /nfs/dbraw/zinc/40/89/16/1255408916.db2.gz XDGKIDZJXDLKNK-BPQIPLTHSA-N 2 0 363.506 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243110 1255484413 /nfs/dbraw/zinc/48/44/13/1255484413.db2.gz LVDDZVCOLBBEHV-WNRNVDISSA-N 2 0 365.518 0.648 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270273 1255496107 /nfs/dbraw/zinc/49/61/07/1255496107.db2.gz KKOBQGNRKGIOQZ-DLBZAZTESA-N 2 0 363.502 0.668 20 0 FCADRP Cc1nccn1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079273533 1255497444 /nfs/dbraw/zinc/49/74/44/1255497444.db2.gz FEOFGIWAOCPJBE-DLBZAZTESA-N 2 0 362.474 0.513 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080449767 1255894246 /nfs/dbraw/zinc/89/42/46/1255894246.db2.gz YLFFEKQTFCAATM-IXDOHACOSA-N 2 0 363.506 0.412 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080557540 1255929473 /nfs/dbraw/zinc/92/94/73/1255929473.db2.gz YRQBDDZFIMLAEA-BRWVUGGUSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786534 1256038781 /nfs/dbraw/zinc/03/87/81/1256038781.db2.gz PENHHFSPJRAZRH-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081125531 1256187534 /nfs/dbraw/zinc/18/75/34/1256187534.db2.gz FLJIGNIJYXHQCY-HYVNUMGLSA-N 2 0 358.486 0.929 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081229497 1256213335 /nfs/dbraw/zinc/21/33/35/1256213335.db2.gz PZGGBBWJGXAFOH-OKZBNKHCSA-N 2 0 358.486 0.930 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959515 1256474582 /nfs/dbraw/zinc/47/45/82/1256474582.db2.gz LBCVNPQSDVDTPJ-SYJBPTKTSA-N 2 0 363.502 0.855 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082325852 1256665685 /nfs/dbraw/zinc/66/56/85/1256665685.db2.gz DFVZXFYKTGTOEU-DJIMGWMZSA-N 2 0 362.474 0.043 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1=O ZINC001082559287 1256858547 /nfs/dbraw/zinc/85/85/47/1256858547.db2.gz ANVQYXMDYHAQJH-DWQUBVKVSA-N 2 0 363.458 0.925 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1)[NH+](C)C ZINC001082589929 1256902306 /nfs/dbraw/zinc/90/23/06/1256902306.db2.gz UJLXFTFONCLVER-MGPQQGTHSA-N 2 0 367.494 0.094 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082612652 1256923688 /nfs/dbraw/zinc/92/36/88/1256923688.db2.gz ZAOZLLUTMBLJTG-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082699581 1256991622 /nfs/dbraw/zinc/99/16/22/1256991622.db2.gz IBPFSIHNDDIRDP-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)ncn1 ZINC001082798506 1257058289 /nfs/dbraw/zinc/05/82/89/1257058289.db2.gz XZQVPDYWZFJFQJ-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082829015 1257087249 /nfs/dbraw/zinc/08/72/49/1257087249.db2.gz YHGCNGCDFIGORY-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cc1=O ZINC001082863476 1257113157 /nfs/dbraw/zinc/11/31/57/1257113157.db2.gz DWQSZPOSZHTNOU-UKRRQHHQSA-N 2 0 361.442 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082863022 1257113473 /nfs/dbraw/zinc/11/34/73/1257113473.db2.gz FIYQRTAZTSJYRQ-IAGOWNOFSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082921142 1257145305 /nfs/dbraw/zinc/14/53/05/1257145305.db2.gz YNNPRYBACMAANJ-KBAYOESNSA-N 2 0 370.497 0.964 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+]1CCCC1 ZINC001082943833 1257160820 /nfs/dbraw/zinc/16/08/20/1257160820.db2.gz IFKZCGWDFUOKJO-IIAWOOMASA-N 2 0 364.494 0.165 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001083083874 1257283851 /nfs/dbraw/zinc/28/38/51/1257283851.db2.gz POZLXFINHJPZCR-GBESFXJTSA-N 2 0 363.502 0.809 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085094 1257287159 /nfs/dbraw/zinc/28/71/59/1257287159.db2.gz ZMMBWZOSNNZERZ-HYVNUMGLSA-N 2 0 367.469 0.718 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@H+](C)CCN1C ZINC001521342331 1266113755 /nfs/dbraw/zinc/11/37/55/1266113755.db2.gz FYYPASUKPTWLAJ-RDJZCZTQSA-N 2 0 351.495 0.987 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001521342604 1266113955 /nfs/dbraw/zinc/11/39/55/1266113955.db2.gz LZIQEQRDFLEKEV-RCCFBDPRSA-N 2 0 369.554 0.763 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001083733427 1257470337 /nfs/dbraw/zinc/47/03/37/1257470337.db2.gz NNNXXQBOXVJSNM-IXDOHACOSA-N 2 0 365.474 0.931 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482812 1266126123 /nfs/dbraw/zinc/12/61/23/1266126123.db2.gz VPLYDWCTLJCFLX-GDBMZVCRSA-N 2 0 350.463 0.645 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CNCC[NH3+])c(C(F)(F)F)c2)CC1 ZINC001521503160 1266128320 /nfs/dbraw/zinc/12/83/20/1266128320.db2.gz DCNZLFGCDHEHLU-UHFFFAOYSA-N 2 0 359.396 0.944 20 0 FCADRP [NH3+][C@H](Cc1ccccn1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001521503163 1266128363 /nfs/dbraw/zinc/12/83/63/1266128363.db2.gz DGEYBLQAFZYKDF-HXUWFJFHSA-N 2 0 367.497 0.885 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936918 1257722072 /nfs/dbraw/zinc/72/20/72/1257722072.db2.gz BSYUUYINYBOKJN-QRVBRYPASA-N 2 0 365.518 0.839 20 0 FCADRP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953290 1257741498 /nfs/dbraw/zinc/74/14/98/1257741498.db2.gz NIWDXVBAVARNFA-WDYCEAGBSA-N 2 0 360.502 0.756 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083953433 1257741716 /nfs/dbraw/zinc/74/17/16/1257741716.db2.gz SMRPFCGWCKDLOB-QRQLOZEOSA-N 2 0 360.502 0.756 20 0 FCADRP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001083954925 1257745022 /nfs/dbraw/zinc/74/50/22/1257745022.db2.gz ONYZHIAJAQONOS-QRQLOZEOSA-N 2 0 361.486 0.877 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959138 1257749109 /nfs/dbraw/zinc/74/91/09/1257749109.db2.gz IGMXXHQGSLCUQB-MOPGFXCFSA-N 2 0 371.481 0.516 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1)C1CCC1 ZINC001083961690 1257753941 /nfs/dbraw/zinc/75/39/41/1257753941.db2.gz FASDJYRYUTZAMV-NJAFHUGGSA-N 2 0 362.474 0.738 20 0 FCADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084091127 1257916092 /nfs/dbraw/zinc/91/60/92/1257916092.db2.gz ZPOIGXSBOPWLTC-MOPGFXCFSA-N 2 0 371.485 0.499 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001331134535 1266154804 /nfs/dbraw/zinc/15/48/04/1266154804.db2.gz PZNLBIMSGLOTSS-MSOLQXFVSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084355194 1258046522 /nfs/dbraw/zinc/04/65/22/1258046522.db2.gz KKLLRPSSMKFCAZ-BRSBDYLESA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409890 1258088530 /nfs/dbraw/zinc/08/85/30/1258088530.db2.gz NRBNUNRIIZEMMK-LZLYRXPVSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001084450492 1258118763 /nfs/dbraw/zinc/11/87/63/1258118763.db2.gz KSDAHAVNGCYINB-KZNAEPCWSA-N 2 0 365.518 0.914 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001331185026 1266165614 /nfs/dbraw/zinc/16/56/14/1266165614.db2.gz NDYNZNCVERJHLZ-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331219945 1266174531 /nfs/dbraw/zinc/17/45/31/1266174531.db2.gz HKLGVTKFOZQEFM-QAQDUYKDSA-N 2 0 368.522 0.437 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21)NC1CC1 ZINC001084941354 1258454299 /nfs/dbraw/zinc/45/42/99/1258454299.db2.gz CXCBACRXOHTOKL-NJAFHUGGSA-N 2 0 360.502 0.530 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCC4)[C@H]3C2)CC[N@@H+]1C ZINC001084944472 1258456827 /nfs/dbraw/zinc/45/68/27/1258456827.db2.gz PQSZSYCQPGPTQM-XDNAFOTISA-N 2 0 362.518 0.872 20 0 FCADRP Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)cn1 ZINC001085075997 1258571491 /nfs/dbraw/zinc/57/14/91/1258571491.db2.gz BTBUSXOUEYFYDO-MSOLQXFVSA-N 2 0 357.502 0.981 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092988 1258588296 /nfs/dbraw/zinc/58/82/96/1258588296.db2.gz YXJNMCOKVGJVIV-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331343289 1266197710 /nfs/dbraw/zinc/19/77/10/1266197710.db2.gz DZYUTMAFAMCZGF-BHYGNILZSA-N 2 0 363.506 0.513 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC001331379230 1266202294 /nfs/dbraw/zinc/20/22/94/1266202294.db2.gz UWFOPOMYHVDKIC-QGZVFWFLSA-N 2 0 358.446 0.812 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331395407 1266206204 /nfs/dbraw/zinc/20/62/04/1266206204.db2.gz DIQDSMIZNRKYRS-KSZLIROESA-N 2 0 367.538 0.600 20 0 FCADRP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201113 1258723657 /nfs/dbraw/zinc/72/36/57/1258723657.db2.gz LKZFQHIVLFBDCR-CVEARBPZSA-N 2 0 359.474 0.861 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)C1=O ZINC001088211988 1258735120 /nfs/dbraw/zinc/73/51/20/1258735120.db2.gz JGCWHQYUAVODMI-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC(C)(C)[NH3+] ZINC001331420139 1266213348 /nfs/dbraw/zinc/21/33/48/1266213348.db2.gz FFAVQCSTHPDBIG-INIZCTEOSA-N 2 0 363.506 0.702 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734657 1258821617 /nfs/dbraw/zinc/82/16/17/1258821617.db2.gz DIBVBNDGTUQJFS-ZACQAIPSSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734872 1258825392 /nfs/dbraw/zinc/82/53/92/1258825392.db2.gz LHRXVHDALGBFPF-OAGGEKHMSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773511 1258840103 /nfs/dbraw/zinc/84/01/03/1258840103.db2.gz OUNVFFHYYXFFNK-HZPDHXFCSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2 ZINC001105666885 1258922995 /nfs/dbraw/zinc/92/29/95/1258922995.db2.gz KUMHBKWZXIBUJZ-IZBJGVDFSA-N 2 0 367.534 0.941 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592872 1258926978 /nfs/dbraw/zinc/92/69/78/1258926978.db2.gz XPIKTRYBPNPKBV-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001106594350 1258927585 /nfs/dbraw/zinc/92/75/85/1258927585.db2.gz QGZKPWARWNYVHP-BRWVUGGUSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001106627099 1258930227 /nfs/dbraw/zinc/93/02/27/1258930227.db2.gz SEDKCCWGPWYFRA-DDUZABMNSA-N 2 0 364.465 0.988 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106662897 1258935775 /nfs/dbraw/zinc/93/57/75/1258935775.db2.gz JAZXPTUPIOMGNC-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001106751584 1258953434 /nfs/dbraw/zinc/95/34/34/1258953434.db2.gz KLFZDTXQAJUOLO-FMKPAKJESA-N 2 0 364.494 0.006 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106785084 1258963924 /nfs/dbraw/zinc/96/39/24/1258963924.db2.gz WIMJHMOAOOURFY-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001106881198 1258986314 /nfs/dbraw/zinc/98/63/14/1258986314.db2.gz YRRCUHNXCHSIEA-OAGGEKHMSA-N 2 0 364.494 0.028 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106910995 1258993922 /nfs/dbraw/zinc/99/39/22/1258993922.db2.gz ZNUVBIAOFVYFPS-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106909084 1258994514 /nfs/dbraw/zinc/99/45/14/1258994514.db2.gz DOKLJVYFKHHTGB-HUUCEWRRSA-N 2 0 362.478 0.441 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001107042697 1259024248 /nfs/dbraw/zinc/02/42/48/1259024248.db2.gz YMERNTMEIJYJSY-BRWVUGGUSA-N 2 0 368.522 0.163 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107462135 1259096490 /nfs/dbraw/zinc/09/64/90/1259096490.db2.gz UVKBKDJLLNJMEK-YQVWRLOYSA-N 2 0 365.518 0.983 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107546853 1259113268 /nfs/dbraw/zinc/11/32/68/1259113268.db2.gz RHGMCIZKHUNXND-XAUMDUMWSA-N 2 0 362.518 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001107598467 1259129737 /nfs/dbraw/zinc/12/97/37/1259129737.db2.gz CPUAFONJLJULSS-VQIMIIECSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001127571447 1259181161 /nfs/dbraw/zinc/18/11/61/1259181161.db2.gz SDESTLBDZOYNEV-XKQJLSEDSA-N 2 0 366.506 0.106 20 0 FCADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC1 ZINC001127571254 1259181623 /nfs/dbraw/zinc/18/16/23/1259181623.db2.gz OWPNTJZZYFUKOI-AEFFLSMTSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCCc2ccccc2)CC[N@@H+]1C ZINC001127643568 1259183549 /nfs/dbraw/zinc/18/35/49/1259183549.db2.gz ATTOTKQWYSHONX-SJLPKXTDSA-N 2 0 360.502 0.781 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659765 1259184633 /nfs/dbraw/zinc/18/46/33/1259184633.db2.gz JUVLTEGZQBZUEP-JJRVBVJISA-N 2 0 364.465 0.876 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@@H+]1C ZINC001127695754 1259184800 /nfs/dbraw/zinc/18/48/00/1259184800.db2.gz XENJAUOMXGRXRH-FUHWJXTLSA-N 2 0 371.485 0.833 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129029669 1259292007 /nfs/dbraw/zinc/29/20/07/1259292007.db2.gz HWJJSVZHIZNDSF-XHSDSOJGSA-N 2 0 370.473 0.336 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266745 1259359783 /nfs/dbraw/zinc/35/97/83/1259359783.db2.gz PZLGNAZSZMMIIY-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN(C)C[C@@H](O)CO)c1C ZINC001141568094 1259379720 /nfs/dbraw/zinc/37/97/20/1259379720.db2.gz OANUDBIPOUJNKE-OAHLLOKOSA-N 2 0 354.495 0.488 20 0 FCADRP CCOC(=O)[C@]12CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]1C[NH2+]CC2 ZINC001154681259 1259383457 /nfs/dbraw/zinc/38/34/57/1259383457.db2.gz UHWRTZFLZQPYCG-DNVCBOLYSA-N 2 0 374.489 0.207 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001200554378 1259416637 /nfs/dbraw/zinc/41/66/37/1259416637.db2.gz JEGLGTWWJMEEOA-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644129 1259419206 /nfs/dbraw/zinc/41/92/06/1259419206.db2.gz JSTPFUDAVRQMNJ-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418826 1259499072 /nfs/dbraw/zinc/49/90/72/1259499072.db2.gz NJDRPDKMWLLZSU-KZNAEPCWSA-N 2 0 369.506 0.482 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458616 1259515042 /nfs/dbraw/zinc/51/50/42/1259515042.db2.gz LLCZFVJRDKAESB-GVDBMIGSSA-N 2 0 371.522 0.321 20 0 FCADRP Cc1c[nH]c(=O)c(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001233190175 1259547845 /nfs/dbraw/zinc/54/78/45/1259547845.db2.gz NBUATEOJVPCUSY-NVXWUHKLSA-N 2 0 362.474 0.707 20 0 FCADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001235143202 1259567224 /nfs/dbraw/zinc/56/72/24/1259567224.db2.gz JUCGPIGQNMGACD-UHFFFAOYSA-N 2 0 367.501 0.782 20 0 FCADRP c1ccc(N2CC[NH2+]CC2)c(CN2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198376 1259569611 /nfs/dbraw/zinc/56/96/11/1259569611.db2.gz DLANSDFARIAGJW-HXUWFJFHSA-N 2 0 360.502 0.677 20 0 FCADRP CN(C)C(=O)N1CC2(CC[NH+](CCCC[NH3+])CC2)[C@]2(CCN(C)C2=O)C1 ZINC001235521837 1259574759 /nfs/dbraw/zinc/57/47/59/1259574759.db2.gz WUTUSOASAKEWSW-LJQANCHMSA-N 2 0 365.522 0.653 20 0 FCADRP CCOC(=O)CN(CC[NH3+])Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235824741 1259583053 /nfs/dbraw/zinc/58/30/53/1259583053.db2.gz AQJFAMURMXEYKJ-UHFFFAOYSA-N 2 0 360.462 0.520 20 0 FCADRP COC(=O)c1[nH]c2ccccc2c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872034 1259583868 /nfs/dbraw/zinc/58/38/68/1259583868.db2.gz WCQBGSVHOMKODU-UHFFFAOYSA-N 2 0 359.474 0.539 20 0 FCADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1 ZINC001236309517 1259588365 /nfs/dbraw/zinc/58/83/65/1259588365.db2.gz PMZONAZBLBUSQS-UHFFFAOYSA-N 2 0 366.462 0.098 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001236311473 1259588706 /nfs/dbraw/zinc/58/87/06/1259588706.db2.gz JGIXFBXFPAOLDU-UHFFFAOYSA-N 2 0 361.446 0.262 20 0 FCADRP Nc1ncc(-c2ccccc2CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236311970 1259588926 /nfs/dbraw/zinc/58/89/26/1259588926.db2.gz XZSIQPVYPCFKRY-UHFFFAOYSA-N 2 0 371.489 0.342 20 0 FCADRP COC(=O)/C=C/c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236312022 1259589473 /nfs/dbraw/zinc/58/94/73/1259589473.db2.gz MULJLPHBSBYXBS-CMDGGOBGSA-N 2 0 362.474 0.489 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)nc1)CC2 ZINC001237062013 1259594923 /nfs/dbraw/zinc/59/49/23/1259594923.db2.gz KLTDPACZSCHOEW-QFBILLFUSA-N 2 0 359.474 0.218 20 0 FCADRP CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C(=O)NCC[NH3+])c2)CCC12C[NH2+]C2 ZINC001237430186 1259597568 /nfs/dbraw/zinc/59/75/68/1259597568.db2.gz JUBSCNASAJVBHB-KRWDZBQOSA-N 3 0 374.485 0.350 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)CC1 ZINC001335332981 1259610453 /nfs/dbraw/zinc/61/04/53/1259610453.db2.gz COQHOEFVHQPDNF-DLBZAZTESA-N 2 0 358.490 0.584 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)Nc1ccc2c(c1)OCCO2 ZINC001239295370 1259623837 /nfs/dbraw/zinc/62/38/37/1259623837.db2.gz IGINENIMJALOAK-UHFFFAOYSA-N 2 0 365.434 0.106 20 0 FCADRP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)cn2nc([C@H]3CC[NH2+]C3)nc12 ZINC001241901926 1259631487 /nfs/dbraw/zinc/63/14/87/1259631487.db2.gz XLRHCJNIKRAMIR-ZDUSSCGKSA-N 2 0 350.430 0.673 20 0 FCADRP O=C1N[C@@H](c2ccc(-c3cnc(N4CC[NH2+]CC4)nc3)cc2)CC12C[NH2+]C2 ZINC001241897731 1259631908 /nfs/dbraw/zinc/63/19/08/1259631908.db2.gz NQBPEABTUVXHLW-QGZVFWFLSA-N 2 0 364.453 0.704 20 0 FCADRP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)cn2nc([C@@H]3CC[NH2+]C3)nc12 ZINC001241901925 1259632569 /nfs/dbraw/zinc/63/25/69/1259632569.db2.gz XLRHCJNIKRAMIR-CYBMUJFWSA-N 2 0 350.430 0.673 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3ncnc4c3CC[NH2+]CC4)cc2)CC1 ZINC001242096078 1259634804 /nfs/dbraw/zinc/63/48/04/1259634804.db2.gz YDDVJJHKBOYWMY-UHFFFAOYSA-N 2 0 366.469 0.724 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384622 1259636276 /nfs/dbraw/zinc/63/62/76/1259636276.db2.gz PEJSOCPYJUTOIH-CRAIPNDOSA-N 2 0 369.531 0.739 20 0 FCADRP OCCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001245986704 1259643685 /nfs/dbraw/zinc/64/36/85/1259643685.db2.gz PYHFQHSXJBIDPK-QZTJIDSGSA-N 2 0 363.502 0.425 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](O)COCc3ccco3)C[C@H]1C2 ZINC001246048232 1259646032 /nfs/dbraw/zinc/64/60/32/1259646032.db2.gz WAVLOLFZYUPYIJ-RTOBDTNUSA-N 2 0 364.442 0.488 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@H]1C(=O)OC ZINC001246140246 1259648609 /nfs/dbraw/zinc/64/86/09/1259648609.db2.gz GJVKDSGVCMGRHY-QKPAOTATSA-N 3 0 367.490 0.581 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+][C@H]1CN[C@H](C(=O)OC(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246233292 1259651259 /nfs/dbraw/zinc/65/12/59/1259651259.db2.gz ZWUGLDXGDQFLJV-OAGGEKHMSA-N 2 0 369.506 0.970 20 0 FCADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001246414173 1259651910 /nfs/dbraw/zinc/65/19/10/1259651910.db2.gz HHHQLKAMMCBXTA-IPQPSQTFSA-N 2 0 360.502 0.991 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CNCCN3)CC2=O)c(OC)c1 ZINC001246489765 1259654183 /nfs/dbraw/zinc/65/41/83/1259654183.db2.gz ATSYSWKGEHBRMA-CVEARBPZSA-N 2 0 362.474 0.346 20 0 FCADRP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC001246691523 1259661612 /nfs/dbraw/zinc/66/16/12/1259661612.db2.gz YHJJTQSZXQOKGL-MLHJIOFPSA-N 2 0 362.518 0.476 20 0 FCADRP Cn1ccnc1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705043 1259664516 /nfs/dbraw/zinc/66/45/16/1259664516.db2.gz VRMXGKXZOBJAQX-HOTGVXAUSA-N 2 0 360.506 0.232 20 0 FCADRP c1cncc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709146 1259666485 /nfs/dbraw/zinc/66/64/85/1259666485.db2.gz SDVYSRVBGUIOGA-PXNSSMCTSA-N 2 0 357.502 0.847 20 0 FCADRP COC(=O)c1cc2c(nc1N(C)C)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246722181 1259667892 /nfs/dbraw/zinc/66/78/92/1259667892.db2.gz PQTPETIGABBZOO-OAHLLOKOSA-N 2 0 373.501 0.429 20 0 FCADRP c1nc2n(c1CN(c1ccccn1)[C@H]1CCNC3(C[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246723602 1259669413 /nfs/dbraw/zinc/66/94/13/1259669413.db2.gz RPQQLPVMGRJNPV-INIZCTEOSA-N 2 0 367.501 0.524 20 0 FCADRP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246733386 1259673637 /nfs/dbraw/zinc/67/36/37/1259673637.db2.gz FMTABAGZAQFTHO-IRXDYDNUSA-N 2 0 357.502 0.893 20 0 FCADRP O=C(COC[C@]12COC[C@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCCC1 ZINC001246739285 1259674645 /nfs/dbraw/zinc/67/46/45/1259674645.db2.gz RHEZXTPBFHYWDI-KEWVYSCRSA-N 2 0 363.502 0.857 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738835 1259675636 /nfs/dbraw/zinc/67/56/36/1259675636.db2.gz OPJDZGKJAZAOLN-YKTARERQSA-N 2 0 358.490 0.634 20 0 FCADRP O=C(c1ccccc1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246746960 1259677288 /nfs/dbraw/zinc/67/72/88/1259677288.db2.gz QSRDNFYBXHRXAU-GBESFXJTSA-N 2 0 370.497 0.553 20 0 FCADRP O=C(C[C@H]1OC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NC1CCC1 ZINC001246749653 1259679980 /nfs/dbraw/zinc/67/99/80/1259679980.db2.gz REGSWBIUVPOGEQ-VDHUWJSZSA-N 2 0 362.518 0.476 20 0 FCADRP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754813 1259681775 /nfs/dbraw/zinc/68/17/75/1259681775.db2.gz OKVQDOVDGXEXLY-SJORKVTESA-N 2 0 373.549 0.101 20 0 FCADRP O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246755297 1259682956 /nfs/dbraw/zinc/68/29/56/1259682956.db2.gz IMIIYPBGCMFQIG-IAGOWNOFSA-N 2 0 355.486 0.614 20 0 FCADRP Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246765756 1259683528 /nfs/dbraw/zinc/68/35/28/1259683528.db2.gz KMOHJXDYBCFUOG-DOXZYTNZSA-N 2 0 362.449 0.927 20 0 FCADRP c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766303 1259685854 /nfs/dbraw/zinc/68/58/54/1259685854.db2.gz MONOWEGBNPQOPS-NXOAAHMSSA-N 2 0 359.474 0.429 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CC[NH2+]CC2)C1 ZINC001335499942 1259688070 /nfs/dbraw/zinc/68/80/70/1259688070.db2.gz XVTFJSOBJOXSTE-RYQLBKOJSA-N 3 0 365.522 0.317 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851433 1259691275 /nfs/dbraw/zinc/69/12/75/1259691275.db2.gz GBYXZTUWRXVYGR-PJIJBLCYSA-N 2 0 374.489 0.416 20 0 FCADRP CCOC(=O)[C@]12C[N@@H+](C3CCN(c4ncccn4)CC3)C[C@H]1C[NH2+]CC2 ZINC001246853963 1259692763 /nfs/dbraw/zinc/69/27/63/1259692763.db2.gz AODKEDQGHMYYPM-DNVCBOLYSA-N 2 0 359.474 0.920 20 0 FCADRP COCCOc1cccc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246885788 1259693791 /nfs/dbraw/zinc/69/37/91/1259693791.db2.gz HOLRFUJEAGQDGY-GOSISDBHSA-N 2 0 360.502 0.928 20 0 FCADRP c1cc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1CN1CCOCC1 ZINC001247828288 1259704291 /nfs/dbraw/zinc/70/42/91/1259704291.db2.gz CFLFTJCVIBUYOA-INIZCTEOSA-N 2 0 355.442 0.845 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@H]4CCN5)n3)cc2)CC1 ZINC001247834050 1259704366 /nfs/dbraw/zinc/70/43/66/1259704366.db2.gz GFKMXCGDJQQKPR-DNVCBOLYSA-N 2 0 354.458 0.896 20 0 FCADRP CON(C)C(=O)c1ccc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)cc1 ZINC001247855739 1259706746 /nfs/dbraw/zinc/70/67/46/1259706746.db2.gz UVIKGBZHCYGLTQ-RDTXWAMCSA-N 2 0 357.414 0.821 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@H]4NC(=O)CC45C[NH2+]C5)n3)cc2)CC1 ZINC001247867948 1259707093 /nfs/dbraw/zinc/70/70/93/1259707093.db2.gz FDICUTOUDJCBJZ-MRXNPFEDSA-N 2 0 368.441 0.639 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3COC4(C[NH2+]C4)CN3)n2)CC1 ZINC001247855581 1259707277 /nfs/dbraw/zinc/70/72/77/1259707277.db2.gz YAOZQXQEALEEGD-OAHLLOKOSA-N 2 0 370.457 0.491 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(COCCOCC[NH3+])n3)c2)CC1 ZINC001248347592 1259709499 /nfs/dbraw/zinc/70/94/99/1259709499.db2.gz YXELIMGGTOSJMP-UHFFFAOYSA-N 2 0 361.446 0.980 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251263520 1259741889 /nfs/dbraw/zinc/74/18/89/1259741889.db2.gz BHLJIUXIQCHIHO-LJQANCHMSA-N 2 0 370.538 0.976 20 0 FCADRP C[N@@H+]1CCCN(CC[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251341491 1259744481 /nfs/dbraw/zinc/74/44/81/1259744481.db2.gz BTTWDBSHOHWBRU-LJQANCHMSA-N 2 0 370.538 0.976 20 0 FCADRP CCOC[C@@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001252041930 1259776400 /nfs/dbraw/zinc/77/64/00/1259776400.db2.gz WINPGVJODJFAJD-MSOLQXFVSA-N 2 0 363.502 0.788 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001335676358 1259780793 /nfs/dbraw/zinc/78/07/93/1259780793.db2.gz CVKXDTRDGWVWSC-UHFFFAOYSA-N 2 0 353.511 0.747 20 0 FCADRP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253391048 1259838155 /nfs/dbraw/zinc/83/81/55/1259838155.db2.gz WESLXEYUVZOGJN-DNVCBOLYSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001253405514 1259839498 /nfs/dbraw/zinc/83/94/98/1259839498.db2.gz FBCYXQWZJFFVCH-GJZGRUSLSA-N 2 0 360.462 0.578 20 0 FCADRP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335791166 1259840246 /nfs/dbraw/zinc/84/02/46/1259840246.db2.gz SGFUYHUVUNSKPG-ZFWWWQNUSA-N 2 0 362.478 0.173 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452973 1259841657 /nfs/dbraw/zinc/84/16/57/1259841657.db2.gz APBRVZDQOPWDNX-IXDOHACOSA-N 2 0 371.522 0.273 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001335841665 1259864808 /nfs/dbraw/zinc/86/48/08/1259864808.db2.gz FAFXDVHQFIIWGE-KSSFIOAISA-N 2 0 372.469 0.798 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3C[C@@H]4CC(=O)C[C@H]4C3)CC[C@@H]2C1 ZINC001254948114 1259901254 /nfs/dbraw/zinc/90/12/54/1259901254.db2.gz JTMSCFFFTQNLIC-YKTARERQSA-N 2 0 363.502 0.855 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001335986073 1259931418 /nfs/dbraw/zinc/93/14/18/1259931418.db2.gz IYVFGYKBCBSJBF-AWEZNQCLSA-N 2 0 354.447 0.490 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001335988467 1259933129 /nfs/dbraw/zinc/93/31/29/1259933129.db2.gz WBIXRIKSRAQBRJ-INIZCTEOSA-N 2 0 351.447 0.431 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340074 1259947237 /nfs/dbraw/zinc/94/72/37/1259947237.db2.gz PIGDKWPFMIFMIO-RCCFBDPRSA-N 2 0 369.506 0.293 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257724693 1260026614 /nfs/dbraw/zinc/02/66/14/1260026614.db2.gz SFXYYQHERGPXIP-VEWYWMFCSA-N 2 0 372.462 0.432 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001336177373 1260027767 /nfs/dbraw/zinc/02/77/67/1260027767.db2.gz XKMOTQDVCVMMLE-HZPDHXFCSA-N 2 0 351.495 0.182 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001261381020 1260129760 /nfs/dbraw/zinc/12/97/60/1260129760.db2.gz WNWPAJFISVZWOE-OXQOHEQNSA-N 2 0 360.502 0.987 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001261492072 1260148784 /nfs/dbraw/zinc/14/87/84/1260148784.db2.gz QAFKEEDUAVOEOZ-IAGOWNOFSA-N 2 0 362.474 0.242 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC001261495305 1260150038 /nfs/dbraw/zinc/15/00/38/1260150038.db2.gz ACJTYZNSTNPJNP-MRXNPFEDSA-N 2 0 360.506 0.586 20 0 FCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001336733954 1260210800 /nfs/dbraw/zinc/21/08/00/1260210800.db2.gz DBFZCAXZPSPPCB-IAGOWNOFSA-N 2 0 367.538 0.947 20 0 FCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001336733956 1260210884 /nfs/dbraw/zinc/21/08/84/1260210884.db2.gz DBFZCAXZPSPPCB-SJORKVTESA-N 2 0 367.538 0.947 20 0 FCADRP CC(C[NH+]1CCC2(CCNC2=O)CC1)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001336841882 1260234609 /nfs/dbraw/zinc/23/46/09/1260234609.db2.gz IZGZDISLPOESSS-UHFFFAOYSA-N 2 0 362.518 0.827 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001336927375 1260256594 /nfs/dbraw/zinc/25/65/94/1260256594.db2.gz XYYDCQIWOPHETL-MJGOQNOKSA-N 2 0 365.522 0.321 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001337103884 1260310206 /nfs/dbraw/zinc/31/02/06/1260310206.db2.gz DQRYYJFYSFOJKU-XLAORIBOSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC001262569407 1260327913 /nfs/dbraw/zinc/32/79/13/1260327913.db2.gz XVBBRKUPPLUREF-HZPDHXFCSA-N 2 0 374.485 0.259 20 0 FCADRP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1CN(C)CCO1 ZINC001262578071 1260329053 /nfs/dbraw/zinc/32/90/53/1260329053.db2.gz HNPUKPKEBPOTOF-DZJNRPSUSA-N 2 0 365.522 0.316 20 0 FCADRP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1CN(C)CCO1 ZINC001262578073 1260329992 /nfs/dbraw/zinc/32/99/92/1260329992.db2.gz HNPUKPKEBPOTOF-OWLYRPNTSA-N 2 0 365.522 0.316 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)c2ccccc2)CC1 ZINC001263103056 1260342152 /nfs/dbraw/zinc/34/21/52/1260342152.db2.gz MPWUZBMKJPWUOM-UYAOXDASSA-N 2 0 360.502 0.596 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756770 1260356317 /nfs/dbraw/zinc/35/63/17/1260356317.db2.gz YTCPPKOSYGUIMS-YVWKXTFCSA-N 2 0 358.486 0.128 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001337337399 1260374702 /nfs/dbraw/zinc/37/47/02/1260374702.db2.gz ANXRDEBMIFAOEM-SFHVURJKSA-N 2 0 374.485 0.044 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001272745959 1260497495 /nfs/dbraw/zinc/49/74/95/1260497495.db2.gz UXGBBYBTTBZBTH-IAGOWNOFSA-N 2 0 360.502 0.768 20 0 FCADRP CN1CCO[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217988 1260628326 /nfs/dbraw/zinc/62/83/26/1260628326.db2.gz PCFJFLKQXCHHOF-HKUYNNGSSA-N 2 0 361.490 0.528 20 0 FCADRP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001278488945 1260699853 /nfs/dbraw/zinc/69/98/53/1260699853.db2.gz XXMMEOAVZLEPGU-HZPDHXFCSA-N 2 0 355.446 0.345 20 0 FCADRP COCCn1cc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)cn1 ZINC001278712845 1260720190 /nfs/dbraw/zinc/72/01/90/1260720190.db2.gz OEFOUTFRLWZBED-UHFFFAOYSA-N 2 0 363.506 0.906 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001278769515 1260728808 /nfs/dbraw/zinc/72/88/08/1260728808.db2.gz OFKASXOECJCWMP-KDURUIRLSA-N 2 0 360.502 0.835 20 0 FCADRP Cc1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001279287199 1260823367 /nfs/dbraw/zinc/82/33/67/1260823367.db2.gz SVTPQDPHEDLFTL-IRXDYDNUSA-N 2 0 360.506 0.292 20 0 FCADRP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001279483603 1260877802 /nfs/dbraw/zinc/87/78/02/1260877802.db2.gz DTBIAGACTDLVIV-UHFFFAOYSA-N 2 0 355.486 0.725 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@H+](C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001279900671 1260956648 /nfs/dbraw/zinc/95/66/48/1260956648.db2.gz UWALNMRIASGWAF-ABSDTBQOSA-N 2 0 362.518 0.968 20 0 FCADRP COCOCCC[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001280088837 1260995015 /nfs/dbraw/zinc/99/50/15/1260995015.db2.gz JQSDDJNNKPGYOL-UHFFFAOYSA-N 2 0 365.478 0.906 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC001280119784 1261009096 /nfs/dbraw/zinc/00/90/96/1261009096.db2.gz IPXBTNPVQCHMQZ-HUUCEWRRSA-N 2 0 357.458 0.187 20 0 FCADRP C[C@H]1CN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH+](C)CC4)C[C@H]23)C[C@H](C)O1 ZINC001280125651 1261010820 /nfs/dbraw/zinc/01/08/20/1261010820.db2.gz MTEXEDSZVUXXPJ-NXNVCVFFSA-N 2 0 364.490 0.651 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CCc3n[nH]c(C(=O)NCC4COC4)c3C2)CC1 ZINC001280139931 1261014286 /nfs/dbraw/zinc/01/42/86/1261014286.db2.gz FQIRGGVHGNXQSH-UHFFFAOYSA-N 2 0 361.490 0.876 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]12 ZINC001280139252 1261014428 /nfs/dbraw/zinc/01/44/28/1261014428.db2.gz FPJPGSLUZZDSRZ-YESZJQIVSA-N 2 0 366.506 0.900 20 0 FCADRP CN(C)C(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@]12c1ccccc1NC2=O ZINC001280138374 1261014568 /nfs/dbraw/zinc/01/45/68/1261014568.db2.gz XHHGFTUUEIZORI-OXQOHEQNSA-N 2 0 356.470 0.896 20 0 FCADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280155041 1261015847 /nfs/dbraw/zinc/01/58/47/1261015847.db2.gz VQTXTAGXGPBZGQ-HZPDHXFCSA-N 2 0 360.458 0.590 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001280189506 1261025708 /nfs/dbraw/zinc/02/57/08/1261025708.db2.gz VDWLBUSTOOOGMH-NUEKZKHPSA-N 2 0 360.458 0.180 20 0 FCADRP Cc1cc(C[N@H+]2C[C@H]3C(=O)NC4(CC[NH+](C[C@H](C)O)CC4)[C@@H]3C2)n(C)n1 ZINC001280188741 1261026051 /nfs/dbraw/zinc/02/60/51/1261026051.db2.gz JODHDCRLHCSQLS-USXIJHARSA-N 2 0 361.490 0.122 20 0 FCADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280202285 1261031561 /nfs/dbraw/zinc/03/15/61/1261031561.db2.gz YMLWKNFUJRYQCX-ULQDDVLXSA-N 2 0 361.490 0.024 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CCCCCC(N)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001280280044 1261046086 /nfs/dbraw/zinc/04/60/86/1261046086.db2.gz HSTHIIRGHQATRM-IBGZPJMESA-N 2 0 367.538 0.250 20 0 FCADRP Cn1cncc1C[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280291302 1261050265 /nfs/dbraw/zinc/05/02/65/1261050265.db2.gz NITQMUIYVSLRTB-JLSDUUJJSA-N 2 0 361.490 0.610 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)c2)CC1 ZINC001332363200 1266387214 /nfs/dbraw/zinc/38/72/14/1266387214.db2.gz CWEALUPXCZGBJO-IBGZPJMESA-N 2 0 372.513 0.819 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC)[NH+](C)C ZINC001281840757 1261225077 /nfs/dbraw/zinc/22/50/77/1261225077.db2.gz MRZOYHXBXWNXNC-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001332408193 1266396128 /nfs/dbraw/zinc/39/61/28/1266396128.db2.gz HIUGKQFZNSRBQS-IAGOWNOFSA-N 2 0 362.522 0.543 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001345183432 1261646850 /nfs/dbraw/zinc/64/68/50/1261646850.db2.gz FAHIMVFHLMNAEZ-HNNXBMFYSA-N 2 0 361.490 0.026 20 0 FCADRP [NH3+]CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001580317666 1278118389 /nfs/dbraw/zinc/11/83/89/1278118389.db2.gz CJUYXAIWBWHAQR-CQSZACIVSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1nccn1CC(=O)N[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001297564619 1262879573 /nfs/dbraw/zinc/87/95/73/1262879573.db2.gz OLTRBZLISQOPTH-VVFCZOMOSA-N 2 0 361.490 0.933 20 0 FCADRP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298606266 1262932915 /nfs/dbraw/zinc/93/29/15/1262932915.db2.gz NEIGSDGKVBDXIA-RBSFLKMASA-N 2 0 364.494 0.019 20 0 FCADRP [NH3+][C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCC2)C1 ZINC001580372439 1278181247 /nfs/dbraw/zinc/18/12/47/1278181247.db2.gz FSQORPZNDMPVGV-CABCVRRESA-N 2 0 361.494 0.643 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580377303 1278189465 /nfs/dbraw/zinc/18/94/65/1278189465.db2.gz VVBADIMVXXTHDG-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCN1CC[NH+](C)CC1 ZINC001310359861 1263232498 /nfs/dbraw/zinc/23/24/98/1263232498.db2.gz JDQRFKMCIINQGY-UHFFFAOYSA-N 2 0 362.478 0.216 20 0 FCADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001479583623 1263265283 /nfs/dbraw/zinc/26/52/83/1263265283.db2.gz AFKDLRGOVPZPKR-CABCVRRESA-N 2 0 367.494 0.274 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001580383945 1278199669 /nfs/dbraw/zinc/19/96/69/1278199669.db2.gz GEVHPFDBNLQOAG-KURKYZTESA-N 2 0 366.506 0.778 20 0 FCADRP NS(=O)(=O)c1ccc(CC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC001580384580 1278199568 /nfs/dbraw/zinc/19/95/68/1278199568.db2.gz LYFBXHOGPZUFHR-SJORKVTESA-N 2 0 353.488 0.705 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001318863446 1263619055 /nfs/dbraw/zinc/61/90/55/1263619055.db2.gz WBYVOOZAEARODG-OAQYLSRUSA-N 2 0 374.529 0.766 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001318870961 1263620380 /nfs/dbraw/zinc/62/03/80/1263620380.db2.gz JZWZENBGRYDIQF-KZNAEPCWSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC(F)(F)F ZINC001495669513 1263832882 /nfs/dbraw/zinc/83/28/82/1263832882.db2.gz RNXZJNNPRZVJTP-IJLUTSLNSA-N 2 0 352.401 0.347 20 0 FCADRP COC[C@@H](O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001496501607 1263880875 /nfs/dbraw/zinc/88/08/75/1263880875.db2.gz MBZHREMVYJRHNS-BPQIPLTHSA-N 2 0 355.523 0.894 20 0 FCADRP Cc1ccc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001496978435 1263907493 /nfs/dbraw/zinc/90/74/93/1263907493.db2.gz CEJJOKVMWZOLIK-HYVNUMGLSA-N 2 0 362.474 0.340 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)n2)CC1 ZINC001321361507 1263945429 /nfs/dbraw/zinc/94/54/29/1263945429.db2.gz VGOFBGBFXNYYCJ-MRXNPFEDSA-N 2 0 374.489 0.785 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001322036325 1264135642 /nfs/dbraw/zinc/13/56/42/1264135642.db2.gz RVTOXKAHYVUYDU-OAHLLOKOSA-N 2 0 361.490 0.752 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001322406854 1264190124 /nfs/dbraw/zinc/19/01/24/1264190124.db2.gz QCWUZWGZPZRLLM-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580390172 1278219597 /nfs/dbraw/zinc/21/95/97/1278219597.db2.gz WKQAAPGLCUVQNM-VDNDLQMASA-N 2 0 369.473 0.944 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001322598949 1264228083 /nfs/dbraw/zinc/22/80/83/1264228083.db2.gz WGDLITDUYNYUEI-DLBZAZTESA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001322823800 1264276599 /nfs/dbraw/zinc/27/65/99/1264276599.db2.gz PGBWHLRDUOIHFF-QGZVFWFLSA-N 2 0 364.465 0.881 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001323389746 1264418747 /nfs/dbraw/zinc/41/87/47/1264418747.db2.gz XSRSQDQPEVWPFK-DJIMGWMZSA-N 2 0 366.506 0.345 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C[C@@H]21 ZINC001324867030 1264720740 /nfs/dbraw/zinc/72/07/40/1264720740.db2.gz ROWDOIYNUQCBII-QAPCUYQASA-N 2 0 371.485 0.539 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC001324937985 1264738943 /nfs/dbraw/zinc/73/89/43/1264738943.db2.gz OCFRDZSZQWHOBD-QGZVFWFLSA-N 2 0 368.522 0.213 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001325313801 1264844998 /nfs/dbraw/zinc/84/49/98/1264844998.db2.gz QPSAUHJJQQOKLF-KRWDZBQOSA-N 2 0 373.501 0.824 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001325354539 1264857192 /nfs/dbraw/zinc/85/71/92/1264857192.db2.gz LFDDEIBNXRFFNI-KRWDZBQOSA-N 2 0 361.490 0.616 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3ccccc3C[NH3+])C2)CC1 ZINC001325428790 1264883857 /nfs/dbraw/zinc/88/38/57/1264883857.db2.gz UJSDITMNUPSMQY-GOSISDBHSA-N 2 0 358.486 0.952 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001580403694 1278238393 /nfs/dbraw/zinc/23/83/93/1278238393.db2.gz VBDQTRRQEWEMEX-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CCO1 ZINC001325666457 1264965259 /nfs/dbraw/zinc/96/52/59/1264965259.db2.gz NLJGFYJZIYJPDL-CRAIPNDOSA-N 2 0 361.490 0.696 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580404144 1278238908 /nfs/dbraw/zinc/23/89/08/1278238908.db2.gz UBJMBUKJCYRILP-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580406701 1278245273 /nfs/dbraw/zinc/24/52/73/1278245273.db2.gz UDMSMQJPBZECLE-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP COc1cc(OC)cc(N2CCC[N@H+](CC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC001326392060 1265104474 /nfs/dbraw/zinc/10/44/74/1265104474.db2.gz UGEJWDGPAMLOMK-UHFFFAOYSA-N 2 0 362.474 0.648 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580407880 1278246990 /nfs/dbraw/zinc/24/69/90/1278246990.db2.gz QVPRUOBWDMTVCJ-DYVFJYSZSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC001327246872 1265263922 /nfs/dbraw/zinc/26/39/22/1265263922.db2.gz NZHOEGNIBGNLPY-GOSISDBHSA-N 2 0 360.502 0.817 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001327318725 1265284537 /nfs/dbraw/zinc/28/45/37/1265284537.db2.gz KZWZOCLWJAKERR-IYBDPMFKSA-N 2 0 368.522 0.593 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327579627 1265362921 /nfs/dbraw/zinc/36/29/21/1265362921.db2.gz ZGOFTPYKZFRFNH-INMHGKMJSA-N 2 0 362.478 0.561 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001333611641 1266649975 /nfs/dbraw/zinc/64/99/75/1266649975.db2.gz PAJCVEFPDTYZLM-DOTOQJQBSA-N 2 0 370.453 0.280 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001333882416 1266739056 /nfs/dbraw/zinc/73/90/56/1266739056.db2.gz CTHGIBPVVAXTAN-IHRRRGAJSA-N 2 0 350.488 0.855 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001334062545 1266800596 /nfs/dbraw/zinc/80/05/96/1266800596.db2.gz GSNIGKBBQZNNHC-MJGOQNOKSA-N 2 0 355.523 0.238 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001334241261 1266905566 /nfs/dbraw/zinc/90/55/66/1266905566.db2.gz MCIDJMGBIIQRDU-KURKYZTESA-N 2 0 367.538 0.552 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001528095401 1266944053 /nfs/dbraw/zinc/94/40/53/1266944053.db2.gz VWLIGWRKOBBSLT-LZQZEXGQSA-N 2 0 358.486 0.258 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001528130967 1266947973 /nfs/dbraw/zinc/94/79/73/1266947973.db2.gz PHDGOXHGCCWQOU-HZPDHXFCSA-N 2 0 355.527 0.155 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001528130965 1266948925 /nfs/dbraw/zinc/94/89/25/1266948925.db2.gz PHDGOXHGCCWQOU-HOTGVXAUSA-N 2 0 355.527 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@H]2CCCC[NH+]2C)C2CC2)CC[N@@H+]1C ZINC001529775246 1267074503 /nfs/dbraw/zinc/07/45/03/1267074503.db2.gz NRVTZBZHYQIHHY-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572261 1267500219 /nfs/dbraw/zinc/50/02/19/1267500219.db2.gz JSZCZHAUKCKISE-CABCVRRESA-N 2 0 354.495 0.107 20 0 FCADRP Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001543224371 1267532891 /nfs/dbraw/zinc/53/28/91/1267532891.db2.gz AGLGLXLWRGBJTE-IEBWSBKVSA-N 2 0 362.522 0.965 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)C1 ZINC001549037794 1267792886 /nfs/dbraw/zinc/79/28/86/1267792886.db2.gz DKDBXUDIPMQRSD-DNVCBOLYSA-N 2 0 370.497 0.889 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1ccccc1F ZINC001549033305 1267793336 /nfs/dbraw/zinc/79/33/36/1267793336.db2.gz WXTOFSMTCISXJD-HOCLYGCPSA-N 2 0 358.421 0.909 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001549042858 1267793861 /nfs/dbraw/zinc/79/38/61/1267793861.db2.gz FEWMTZJGDPAUOH-CABCVRRESA-N 2 0 369.462 0.246 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)CC1=O ZINC001549075312 1267801188 /nfs/dbraw/zinc/80/11/88/1267801188.db2.gz SPUALLYNPQZZBS-UNEWFSDZSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)CC1=O ZINC001549075310 1267801213 /nfs/dbraw/zinc/80/12/13/1267801213.db2.gz SPUALLYNPQZZBS-KMFMINBZSA-N 2 0 362.449 0.489 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCCO1 ZINC001549075295 1267801443 /nfs/dbraw/zinc/80/14/43/1267801443.db2.gz SELSPDJNYCAQNX-ZWKOTPCHSA-N 2 0 357.458 0.377 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001549723154 1267979163 /nfs/dbraw/zinc/97/91/63/1267979163.db2.gz VYFMAYUDJZKFLM-DOMZBBRYSA-N 2 0 358.364 0.981 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCCc3cccc(C[NH3+])c32)nn1 ZINC001549754263 1267989474 /nfs/dbraw/zinc/98/94/74/1267989474.db2.gz LTPNPIAVEGAYRK-WBVHZDCISA-N 2 0 370.457 0.418 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC001549763462 1267996773 /nfs/dbraw/zinc/99/67/73/1267996773.db2.gz NGSPTCMKZSVVEM-CGTJXYLNSA-N 2 0 374.533 0.722 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@@H]4C3)cc21 ZINC001549941681 1268027793 /nfs/dbraw/zinc/02/77/93/1268027793.db2.gz XMKPNEONDPSTOM-HUUCEWRRSA-N 2 0 373.457 0.195 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001338688774 1268042729 /nfs/dbraw/zinc/04/27/29/1268042729.db2.gz UUBGDTZCKJHCTF-RBUKOAKNSA-N 2 0 373.501 0.052 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001550005047 1268044333 /nfs/dbraw/zinc/04/43/33/1268044333.db2.gz RILDLUUTCKDQPO-QRVBRYPASA-N 2 0 364.534 0.582 20 0 FCADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)[C@@H]2C1 ZINC001550062885 1268066457 /nfs/dbraw/zinc/06/64/57/1268066457.db2.gz IKDPHXABFYCMJX-TUAOUCFPSA-N 2 0 370.404 0.295 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001550066938 1268067252 /nfs/dbraw/zinc/06/72/52/1268067252.db2.gz JDKWMKUYTMCWEQ-PMPSAXMXSA-N 2 0 357.462 0.416 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001338754315 1268075295 /nfs/dbraw/zinc/07/52/95/1268075295.db2.gz KJTPYEQDTSQTIV-CGTJXYLNSA-N 2 0 371.485 0.465 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cnn1C ZINC001550114886 1268076244 /nfs/dbraw/zinc/07/62/44/1268076244.db2.gz BTORTELWRDMUKV-WDSOQIARSA-N 2 0 353.470 0.862 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550162936 1268087455 /nfs/dbraw/zinc/08/74/55/1268087455.db2.gz BOXHLECQQOCVDP-ZWKOTPCHSA-N 2 0 352.523 0.628 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)c1 ZINC001550208594 1268091438 /nfs/dbraw/zinc/09/14/38/1268091438.db2.gz JARAGZUDTSGAEL-DOTOQJQBSA-N 2 0 370.457 0.916 20 0 FCADRP Cn1nccc1[C@@H]1[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)CCC[NH+]1C ZINC001550360540 1268105987 /nfs/dbraw/zinc/10/59/87/1268105987.db2.gz GGJJQFKNIRUMNV-YJBOKZPZSA-N 2 0 362.522 0.413 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482191 1268125745 /nfs/dbraw/zinc/12/57/45/1268125745.db2.gz YGKVXLPBKCBWEO-BWPNAZKDSA-N 2 0 366.550 0.610 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001550623191 1268141598 /nfs/dbraw/zinc/14/15/98/1268141598.db2.gz VHUGSNIEUIPRET-NBMJBFSESA-N 2 0 353.507 0.693 20 0 FCADRP O=C(N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754920 1268162975 /nfs/dbraw/zinc/16/29/75/1268162975.db2.gz DSUAOSUBJZUYSE-YESZJQIVSA-N 2 0 366.506 0.601 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754917 1268163044 /nfs/dbraw/zinc/16/30/44/1268163044.db2.gz DSUAOSUBJZUYSE-BBWFWOEESA-N 2 0 366.506 0.601 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001550756915 1268163225 /nfs/dbraw/zinc/16/32/25/1268163225.db2.gz NDSPXNWPGTVDCJ-QLFBSQMISA-N 2 0 351.426 0.712 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550754471 1268163264 /nfs/dbraw/zinc/16/32/64/1268163264.db2.gz KLVMEMRCCHKNGM-HYVNUMGLSA-N 2 0 359.474 0.963 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC001550913262 1268184007 /nfs/dbraw/zinc/18/40/07/1268184007.db2.gz NISSLVIIUXABLP-VQIMIIECSA-N 2 0 350.507 0.919 20 0 FCADRP CC1CCC(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550914716 1268184432 /nfs/dbraw/zinc/18/44/32/1268184432.db2.gz ZBHAPLBAXRJUQF-VLEUTVDFSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC001550977646 1268188103 /nfs/dbraw/zinc/18/81/03/1268188103.db2.gz NFQORMBIRPBWIX-ZBFHGGJFSA-N 2 0 354.495 0.384 20 0 FCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)CC1 ZINC001551224147 1268214933 /nfs/dbraw/zinc/21/49/33/1268214933.db2.gz RTKYRGRXUWLQDA-OFQRWUPVSA-N 2 0 351.495 0.436 20 0 FCADRP Cn1nc([C@@H]2C[C@@H](O)[C@H](C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223539 1268215546 /nfs/dbraw/zinc/21/55/46/1268215546.db2.gz NHKMDLOMWMNIRD-ZQDZILKHSA-N 2 0 351.495 0.436 20 0 FCADRP CC[NH+](CC)C1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC001339346078 1268217191 /nfs/dbraw/zinc/21/71/91/1268217191.db2.gz LDZSODNYUWUSRE-UHFFFAOYSA-N 2 0 351.495 0.766 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551471755 1268257609 /nfs/dbraw/zinc/25/76/09/1268257609.db2.gz XCLJELFCLBWNGX-PMPSAXMXSA-N 2 0 354.495 0.242 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C[C@H](C)O ZINC001551471833 1268257732 /nfs/dbraw/zinc/25/77/32/1268257732.db2.gz ZMPSHNSCVGNEDN-GVDBMIGSSA-N 2 0 368.522 0.632 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492953 1268260832 /nfs/dbraw/zinc/26/08/32/1268260832.db2.gz YWHILBQXCROBIN-ZLHSVIROSA-N 2 0 360.458 0.607 20 0 FCADRP CO[C@H]1C[C@H](C[NH3+])N(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551505819 1268261779 /nfs/dbraw/zinc/26/17/79/1268261779.db2.gz XFXQPATZVAENDY-NDUQDZPOSA-N 2 0 354.495 0.778 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551547589 1268264470 /nfs/dbraw/zinc/26/44/70/1268264470.db2.gz DOXMQLIORWJUMS-YJTLQXIOSA-N 2 0 363.506 0.594 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001551552509 1268265222 /nfs/dbraw/zinc/26/52/22/1268265222.db2.gz FBCNXDYQJCZJMQ-WBVHZDCISA-N 2 0 363.506 0.465 20 0 FCADRP [NH3+]C[C@]12C[C@H](CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)CCC2 ZINC001551553394 1268265587 /nfs/dbraw/zinc/26/55/87/1268265587.db2.gz GTKMUPHZMNPDPI-VWMOJTHMSA-N 2 0 363.506 0.546 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551555297 1268267845 /nfs/dbraw/zinc/26/78/45/1268267845.db2.gz NMMASLPTYRAJDH-WBVHZDCISA-N 2 0 365.522 0.664 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556707 1268268553 /nfs/dbraw/zinc/26/85/53/1268268553.db2.gz STKBQELHMZQHPZ-INMHGKMJSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001551557813 1268269437 /nfs/dbraw/zinc/26/94/37/1268269437.db2.gz WSONXFOEYFYTGW-UIBIWLFHSA-N 2 0 363.506 0.417 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001551557811 1268269516 /nfs/dbraw/zinc/26/95/16/1268269516.db2.gz WSONXFOEYFYTGW-OVWQWFNUSA-N 2 0 363.506 0.417 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551558993 1268270018 /nfs/dbraw/zinc/27/00/18/1268270018.db2.gz FPRVJWBGUXTAHV-CBZIJGRNSA-N 2 0 363.506 0.559 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCCC1 ZINC001551559446 1268270735 /nfs/dbraw/zinc/27/07/35/1268270735.db2.gz GIMLXCLQEDZCIZ-NVXWUHKLSA-N 2 0 365.522 0.807 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551568581 1268273722 /nfs/dbraw/zinc/27/37/22/1268273722.db2.gz JMTWJPVJUOMSMN-WBVHZDCISA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551568868 1268273870 /nfs/dbraw/zinc/27/38/70/1268273870.db2.gz CMKPITYTOCKEOZ-MAPUTHEBSA-N 2 0 363.506 0.321 20 0 FCADRP [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001551567577 1268273901 /nfs/dbraw/zinc/27/39/01/1268273901.db2.gz INYSIJQEINQXSY-ICRTXTNUSA-N 2 0 363.428 0.782 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551574787 1268274133 /nfs/dbraw/zinc/27/41/33/1268274133.db2.gz DDJOCVUKZBQTCI-HLLBOEOZSA-N 2 0 351.495 0.417 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551574929 1268274646 /nfs/dbraw/zinc/27/46/46/1268274646.db2.gz DTPXEPLQPAEOGJ-LXZKKBNFSA-N 2 0 351.495 0.404 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001551574828 1268274736 /nfs/dbraw/zinc/27/47/36/1268274736.db2.gz DJQNYXKQRNUELX-AEFFLSMTSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001551578910 1268276661 /nfs/dbraw/zinc/27/66/61/1268276661.db2.gz NLXKUUNVHJSBNE-FAYQHZLMSA-N 2 0 351.495 0.321 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551579650 1268277292 /nfs/dbraw/zinc/27/72/92/1268277292.db2.gz OSDCQQJTMTVBKA-ZOBUZTSGSA-N 2 0 365.522 0.805 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001551583777 1268278740 /nfs/dbraw/zinc/27/87/40/1268278740.db2.gz WRLCKOQJKLMIDS-UXLLHSPISA-N 2 0 351.495 0.417 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC001551586053 1268279712 /nfs/dbraw/zinc/27/97/12/1268279712.db2.gz BLVAQCINONFBPG-XJOINEQPSA-N 2 0 363.506 0.558 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551586910 1268279805 /nfs/dbraw/zinc/27/98/05/1268279805.db2.gz CZIIFMLCLMHQPT-RYRKJORJSA-N 2 0 365.522 0.805 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001551586986 1268279976 /nfs/dbraw/zinc/27/99/76/1268279976.db2.gz DELBOVHUZPBTER-XYJFISCASA-N 2 0 363.506 0.513 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001551589693 1268280920 /nfs/dbraw/zinc/28/09/20/1268280920.db2.gz KSYCTAMQDIWYIF-HVEKOLDVSA-N 2 0 365.522 0.792 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC001551596299 1268281728 /nfs/dbraw/zinc/28/17/28/1268281728.db2.gz SJHDKJGERUDCIF-UTXMOHQDSA-N 2 0 351.495 0.225 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596455 1268282105 /nfs/dbraw/zinc/28/21/05/1268282105.db2.gz UASMDMQBCNVCFI-NYCLONFESA-N 2 0 365.522 0.615 20 0 FCADRP COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001339935122 1268377126 /nfs/dbraw/zinc/37/71/26/1268377126.db2.gz ZDMQNOXYJBRUFI-HNNXBMFYSA-N 2 0 360.458 0.778 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2cccc3c2CC[NH2+]C3)nn1 ZINC001552163049 1268397007 /nfs/dbraw/zinc/39/70/07/1268397007.db2.gz SAYVJFNEQVWJHC-PBHICJAKSA-N 2 0 356.430 0.264 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[C@@H]1c1ccc(F)cc1 ZINC001552159968 1268397063 /nfs/dbraw/zinc/39/70/63/1268397063.db2.gz HTFHYHDKMPDACO-ARFHVFGLSA-N 2 0 358.421 0.909 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCC([NH+](C)C)CC2)cnn1C ZINC001552168216 1268400820 /nfs/dbraw/zinc/40/08/20/1268400820.db2.gz PRBDRZOXPPTYQX-ROUUACIJSA-N 2 0 362.522 0.174 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552168146 1268401116 /nfs/dbraw/zinc/40/11/16/1268401116.db2.gz PJBKKYKRMUSTRG-INIZCTEOSA-N 2 0 369.473 0.494 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552216262 1268413531 /nfs/dbraw/zinc/41/35/31/1268413531.db2.gz MUFZKGYVMGRDFO-OWCLPIDISA-N 2 0 358.421 0.827 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC001552272976 1268429370 /nfs/dbraw/zinc/42/93/70/1268429370.db2.gz IUUREWYHEBNJLB-PYJNHQTQSA-N 2 0 359.396 0.627 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001340113398 1268440172 /nfs/dbraw/zinc/44/01/72/1268440172.db2.gz QMVZHNDZLQJKEN-HNNXBMFYSA-N 2 0 351.520 0.920 20 0 FCADRP Cc1c(C(=O)NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552442750 1268465653 /nfs/dbraw/zinc/46/56/53/1268465653.db2.gz VHLKGICUSIEWGJ-GDBMZVCRSA-N 2 0 371.445 0.187 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552441271 1268465949 /nfs/dbraw/zinc/46/59/49/1268465949.db2.gz ISNLXOWYEWPCHO-INMHGKMJSA-N 2 0 362.478 0.480 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1n1ccnn1 ZINC001552599413 1268483102 /nfs/dbraw/zinc/48/31/02/1268483102.db2.gz QMAPWSSUZRKLBP-SJORKVTESA-N 2 0 361.494 0.649 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001340248482 1268485724 /nfs/dbraw/zinc/48/57/24/1268485724.db2.gz INXXNDVRPHNPFM-NRFANRHFSA-N 2 0 374.529 0.815 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC001340251493 1268485958 /nfs/dbraw/zinc/48/59/58/1268485958.db2.gz XZVBPHVBBXVDAI-CJNGLKHVSA-N 2 0 359.474 0.264 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)CC1 ZINC001552603567 1268486520 /nfs/dbraw/zinc/48/65/20/1268486520.db2.gz LGBXHHBTOVHPAU-IAGOWNOFSA-N 2 0 363.510 0.897 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552692977 1268521588 /nfs/dbraw/zinc/52/15/88/1268521588.db2.gz DBQFMKHDOMANCW-ZBFHGGJFSA-N 2 0 350.467 0.561 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC001552695667 1268524249 /nfs/dbraw/zinc/52/42/49/1268524249.db2.gz QIYJAZNLZGQQLI-ZMSDIMECSA-N 2 0 362.478 0.515 20 0 FCADRP C[C@@H]1[C@H](c2nnc(N3CC[C@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774635 1268541958 /nfs/dbraw/zinc/54/19/58/1268541958.db2.gz MBYZIBMDDCFLEH-IXDOHACOSA-N 2 0 361.538 0.839 20 0 FCADRP C[NH2+]C[C@@H]1C[C@@H](F)CN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552837047 1268556724 /nfs/dbraw/zinc/55/67/24/1268556724.db2.gz AUMXTELOPCNBFA-KOLCDFICSA-N 2 0 360.384 0.912 20 0 FCADRP C[NH2+]C[C@H]1C[C@@H](F)CN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552837048 1268556944 /nfs/dbraw/zinc/55/69/44/1268556944.db2.gz AUMXTELOPCNBFA-MWLCHTKSSA-N 2 0 360.384 0.912 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@@H]1C[NH3+] ZINC001552843323 1268558626 /nfs/dbraw/zinc/55/86/26/1268558626.db2.gz GCFOVKDTHDHOKY-CMPLNLGQSA-N 2 0 372.420 0.576 20 0 FCADRP C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552855936 1268560868 /nfs/dbraw/zinc/56/08/68/1268560868.db2.gz ZKCCELFLVDPTDI-SCVCMEIPSA-N 2 0 354.405 0.963 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957496 1268569395 /nfs/dbraw/zinc/56/93/95/1268569395.db2.gz JHNNDZSIESHBLP-ZWKOTPCHSA-N 2 0 357.502 0.905 20 0 FCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553347402 1268634347 /nfs/dbraw/zinc/63/43/47/1268634347.db2.gz CFKIFVYFZWBKCH-ZDUSSCGKSA-N 2 0 361.471 0.991 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375562 1268638394 /nfs/dbraw/zinc/63/83/94/1268638394.db2.gz RQBKXJZRFYJQDQ-UWJYYQICSA-N 2 0 370.497 0.949 20 0 FCADRP CCCNC(=O)c1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553392076 1268642065 /nfs/dbraw/zinc/64/20/65/1268642065.db2.gz JTSIEXUWUJCEJV-YLJYHZDGSA-N 2 0 358.486 0.984 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@H]2C1 ZINC001553399739 1268644136 /nfs/dbraw/zinc/64/41/36/1268644136.db2.gz TVDLNVNUEBFQMM-BTDLBPIBSA-N 2 0 370.375 0.700 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405052 1268645131 /nfs/dbraw/zinc/64/51/31/1268645131.db2.gz CVAPQVPJHCWVRT-QYZOEREBSA-N 2 0 358.486 0.570 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cn2)CC1 ZINC001553414559 1268646753 /nfs/dbraw/zinc/64/67/53/1268646753.db2.gz XOTRMQFFDWSSFT-ULQDDVLXSA-N 2 0 359.474 0.359 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450245 1268653607 /nfs/dbraw/zinc/65/36/07/1268653607.db2.gz ITFIGLJHLBAEOG-WBVHZDCISA-N 2 0 365.522 0.223 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553454308 1268654742 /nfs/dbraw/zinc/65/47/42/1268654742.db2.gz JPMRRJODRUMJCS-DOTOQJQBSA-N 2 0 366.506 0.637 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553505627 1268660134 /nfs/dbraw/zinc/66/01/34/1268660134.db2.gz UOTCKKYKLRFWGW-IHRRRGAJSA-N 2 0 363.428 0.464 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553500545 1268660369 /nfs/dbraw/zinc/66/03/69/1268660369.db2.gz DUCGHWVYCBWJTL-OAGGEKHMSA-N 2 0 352.479 0.211 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001553512052 1268660678 /nfs/dbraw/zinc/66/06/78/1268660678.db2.gz VEITZNIKSQHYAF-HZPDHXFCSA-N 2 0 352.479 0.308 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001553531931 1268664999 /nfs/dbraw/zinc/66/49/99/1268664999.db2.gz VGBCWUBACIYAAK-OALUTQOASA-N 2 0 357.502 0.937 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553546588 1268666656 /nfs/dbraw/zinc/66/66/56/1268666656.db2.gz HYIFQIMUCIWDSK-CVEARBPZSA-N 2 0 365.522 0.747 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]C[C@@H]2F)CC1 ZINC001553546273 1268666710 /nfs/dbraw/zinc/66/67/10/1268666710.db2.gz GKJIUOAXJMXSOU-GJZGRUSLSA-N 2 0 369.485 0.592 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001340864223 1268685849 /nfs/dbraw/zinc/68/58/49/1268685849.db2.gz GSWRXNKUSNYREG-GOSISDBHSA-N 2 0 352.479 0.891 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340873698 1268688941 /nfs/dbraw/zinc/68/89/41/1268688941.db2.gz SLOKMXJUBWKABU-CQSZACIVSA-N 2 0 350.463 0.502 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001340875810 1268690118 /nfs/dbraw/zinc/69/01/18/1268690118.db2.gz SKJVMSDSCIUMNA-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCO[C@H](CC)C1 ZINC001340922524 1268710377 /nfs/dbraw/zinc/71/03/77/1268710377.db2.gz MIGUTUJVHUIADQ-ZACQAIPSSA-N 2 0 368.522 0.722 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001341072222 1268772153 /nfs/dbraw/zinc/77/21/53/1268772153.db2.gz ULCOIWDLWCWUCS-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC001341244071 1268885758 /nfs/dbraw/zinc/88/57/58/1268885758.db2.gz LCGCAWDMXXYVBS-JLSDUUJJSA-N 2 0 372.469 0.922 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496646 1269033493 /nfs/dbraw/zinc/03/34/93/1269033493.db2.gz LTNWEBRGJUWOMY-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C1)CC2 ZINC001341731694 1269175417 /nfs/dbraw/zinc/17/54/17/1269175417.db2.gz BINIEHAYAYYBCV-JFIYKMOQSA-N 2 0 373.501 0.861 20 0 FCADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001341795717 1269211832 /nfs/dbraw/zinc/21/18/32/1269211832.db2.gz JCMLCJRNUZENIX-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3[NH2+]CC34CCOCC4)CC2)CC1 ZINC001341814839 1269225908 /nfs/dbraw/zinc/22/59/08/1269225908.db2.gz NSGXJLSUVLGKAG-KRWDZBQOSA-N 2 0 350.507 0.241 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CSCC[NH2+]2)CC1=O ZINC001341897765 1269258043 /nfs/dbraw/zinc/25/80/43/1269258043.db2.gz NLYQQLKXAZQBCA-OWCLPIDISA-N 2 0 368.547 0.531 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958422 1269280164 /nfs/dbraw/zinc/28/01/64/1269280164.db2.gz MWHJDLWTAKCUSP-SJLPKXTDSA-N 2 0 373.501 0.297 20 0 FCADRP CNS(=O)(=O)c1ccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC001342465688 1269482432 /nfs/dbraw/zinc/48/24/32/1269482432.db2.gz MUOMCSMHQJTEHA-UHFFFAOYSA-N 2 0 370.519 0.089 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001565975660 1269536957 /nfs/dbraw/zinc/53/69/57/1269536957.db2.gz ICWVKIWPNCGKCJ-ILXRZTDVSA-N 2 0 369.510 0.389 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001342824132 1269626508 /nfs/dbraw/zinc/62/65/08/1269626508.db2.gz STTKEPMQQRMIRW-UHFFFAOYSA-N 2 0 351.491 0.858 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001342930053 1269683841 /nfs/dbraw/zinc/68/38/41/1269683841.db2.gz LKIXBGLUIDLVOC-BFYDXBDKSA-N 2 0 356.511 0.255 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C ZINC001343115356 1269781013 /nfs/dbraw/zinc/78/10/13/1269781013.db2.gz BPNIBHZRUAXWRO-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP O=C(Cc1ccccc1)OCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001580574227 1278510340 /nfs/dbraw/zinc/51/03/40/1278510340.db2.gz ZPZROTXNQQLUMR-BBWFWOEESA-N 2 0 359.426 0.639 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001343409170 1269901460 /nfs/dbraw/zinc/90/14/60/1269901460.db2.gz MHCBRAMWDYEXIL-GOSISDBHSA-N 2 0 373.501 0.269 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC001343425514 1269906078 /nfs/dbraw/zinc/90/60/78/1269906078.db2.gz UBODKMOEPLAAHO-UHFFFAOYSA-N 2 0 356.470 0.880 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001344949896 1270281642 /nfs/dbraw/zinc/28/16/42/1270281642.db2.gz GXQKMSVYSJRJOR-JZXOWHBKSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001344949898 1270282557 /nfs/dbraw/zinc/28/25/57/1270282557.db2.gz GXQKMSVYSJRJOR-LZLYRXPVSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1OC ZINC001572969872 1270427794 /nfs/dbraw/zinc/42/77/94/1270427794.db2.gz DSMKVVHNKUNADK-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573982358 1270974124 /nfs/dbraw/zinc/97/41/24/1270974124.db2.gz NSJNBSOMHJEFAC-HUBLWGQQSA-N 2 0 358.450 0.329 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573981984 1270974889 /nfs/dbraw/zinc/97/48/89/1270974889.db2.gz KPTROSARXTWELJ-DVOMOZLQSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001574251525 1271120176 /nfs/dbraw/zinc/12/01/76/1271120176.db2.gz GVKFEVGLFCDHSX-QWHCGFSZSA-N 2 0 358.450 0.425 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260339 1271130624 /nfs/dbraw/zinc/13/06/24/1271130624.db2.gz FPYDGNMDQLXZRD-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574260487 1271131809 /nfs/dbraw/zinc/13/18/09/1271131809.db2.gz JHLICVUTZVYIIK-UHFFFAOYSA-N 2 0 363.441 0.942 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574264510 1271140841 /nfs/dbraw/zinc/14/08/41/1271140841.db2.gz IAUCKLDXFLAQJL-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP O=C(NC[C@H]1CCC2(C[NH2+]C2)O1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001580646005 1278622307 /nfs/dbraw/zinc/62/23/07/1278622307.db2.gz QNGXYNJKAVRURV-CVEARBPZSA-N 2 0 352.479 0.450 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574578475 1271377566 /nfs/dbraw/zinc/37/75/66/1271377566.db2.gz CARBDJLGMGBDKA-ZDUSSCGKSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574592071 1271390793 /nfs/dbraw/zinc/39/07/93/1271390793.db2.gz CJCFYXZNYBZXJZ-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574592655 1271392394 /nfs/dbraw/zinc/39/23/94/1271392394.db2.gz JMIKGUPPLIJMHH-ZDUSSCGKSA-N 2 0 370.461 0.619 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595135 1271394449 /nfs/dbraw/zinc/39/44/49/1271394449.db2.gz DRMBOBVBMHQBMG-UKRRQHHQSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598413 1271402490 /nfs/dbraw/zinc/40/24/90/1271402490.db2.gz QJKMWLZKIZYRDW-CJNGLKHVSA-N 2 0 357.462 0.803 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673124 1271477039 /nfs/dbraw/zinc/47/70/39/1271477039.db2.gz ZGYDMMMOQUKRRA-CJNGLKHVSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574781477 1271516061 /nfs/dbraw/zinc/51/60/61/1271516061.db2.gz KVMZCABIZYOVRQ-RYUDHWBXSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001574783367 1271516711 /nfs/dbraw/zinc/51/67/11/1271516711.db2.gz BZMYVPRJTCGLAH-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574805201 1271544860 /nfs/dbraw/zinc/54/48/60/1271544860.db2.gz PXTAGMXPXLNBNB-ZDUSSCGKSA-N 2 0 370.461 0.831 20 0 FCADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853768 1271604584 /nfs/dbraw/zinc/60/45/84/1271604584.db2.gz DZMPJNNEMFFHGU-CYBMUJFWSA-N 2 0 370.461 0.831 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574854313 1271605872 /nfs/dbraw/zinc/60/58/72/1271605872.db2.gz KZTUXMVOPODFLM-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877972 1271638696 /nfs/dbraw/zinc/63/86/96/1271638696.db2.gz UEVAUSKCGQCOOV-YPMHNXCESA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895991 1271655823 /nfs/dbraw/zinc/65/58/23/1271655823.db2.gz BESAWWYZLIXICE-NEPJUHHUSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908564 1271674119 /nfs/dbraw/zinc/67/41/19/1271674119.db2.gz JHASYENFHTZDTR-QWHCGFSZSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575115956 1271729569 /nfs/dbraw/zinc/72/95/69/1271729569.db2.gz UAGTXRTWGWELCV-HIFRSBDPSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]C3CC(CC[NH3+])C3)CC2=O)C1 ZINC001575170456 1271761300 /nfs/dbraw/zinc/76/13/00/1271761300.db2.gz RXXWSFPWLLKZFA-RUXDESIVSA-N 2 0 352.479 0.924 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001575186096 1271773266 /nfs/dbraw/zinc/77/32/66/1271773266.db2.gz BVHFFRJUGRFYRJ-PBHICJAKSA-N 2 0 355.479 0.859 20 0 FCADRP CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C[NH3+])C1 ZINC001575682703 1272294434 /nfs/dbraw/zinc/29/44/34/1272294434.db2.gz ULECIBPQAOTBRS-OAHLLOKOSA-N 2 0 362.482 0.183 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001575698304 1272317663 /nfs/dbraw/zinc/31/76/63/1272317663.db2.gz NPCABMFFLDZZLP-GOSISDBHSA-N 2 0 351.539 0.299 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@@H](C)[NH3+] ZINC001575714802 1272358375 /nfs/dbraw/zinc/35/83/75/1272358375.db2.gz CVVBYBLSOQAPQI-CABCVRRESA-N 2 0 363.510 0.828 20 0 FCADRP C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC001576009016 1272703172 /nfs/dbraw/zinc/70/31/72/1272703172.db2.gz WSRQUQYYYJAFCT-HNNXBMFYSA-N 2 0 372.477 0.113 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001576126657 1272922121 /nfs/dbraw/zinc/92/21/21/1272922121.db2.gz DKNKDDCOIZQEMT-SOUVJXGZSA-N 2 0 363.510 0.638 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001576126645 1272922691 /nfs/dbraw/zinc/92/26/91/1272922691.db2.gz DKNKDDCOIZQEMT-KKUMJFAQSA-N 2 0 363.510 0.638 20 0 FCADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576144326 1272958767 /nfs/dbraw/zinc/95/87/67/1272958767.db2.gz XORQLGFZFCICIC-LSDHHAIUSA-N 2 0 374.493 0.103 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2cn[nH]n2)C1)[NH+](C)C ZINC001576175912 1272977163 /nfs/dbraw/zinc/97/71/63/1272977163.db2.gz OBHPODJJUDKFGZ-BBWFWOEESA-N 2 0 374.493 0.005 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2cn[nH]n2)C1)[NH+](C)C ZINC001576175913 1272977718 /nfs/dbraw/zinc/97/77/18/1272977718.db2.gz OBHPODJJUDKFGZ-GVDBMIGSSA-N 2 0 374.493 0.005 20 0 FCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576233135 1273002149 /nfs/dbraw/zinc/00/21/49/1273002149.db2.gz XSLPNRFITDFYOW-SWLSCSKDSA-N 2 0 370.461 0.427 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576489186 1273340146 /nfs/dbraw/zinc/34/01/46/1273340146.db2.gz FBZQWJFZLQIWQU-HIFRSBDPSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491370 1273347127 /nfs/dbraw/zinc/34/71/27/1273347127.db2.gz XQYLVVQXKQCVCD-XJKSGUPXSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576498599 1273358629 /nfs/dbraw/zinc/35/86/29/1273358629.db2.gz BPZUNNVMTYAXGW-OAHLLOKOSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576506700 1273377183 /nfs/dbraw/zinc/37/71/83/1273377183.db2.gz SNJJFQVZYKFXGK-ZENOOKHLSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@H](C(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576507404 1273379713 /nfs/dbraw/zinc/37/97/13/1273379713.db2.gz ZNWBEGZESISLPU-CQSZACIVSA-N 2 0 360.466 0.853 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC2(O)CC[NH2+]CC2)CC1 ZINC001576648024 1273505558 /nfs/dbraw/zinc/50/55/58/1273505558.db2.gz KXFXVDGHHZBVEN-CALCHBBNSA-N 2 0 352.523 0.508 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001576709925 1273578787 /nfs/dbraw/zinc/57/87/87/1273578787.db2.gz WQBVJOAGWMLDKI-GJZGRUSLSA-N 2 0 363.510 0.686 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001576772342 1273651665 /nfs/dbraw/zinc/65/16/65/1273651665.db2.gz MFXMEDDQGNEANA-JKSUJKDBSA-N 2 0 353.511 0.175 20 0 FCADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576785201 1273675902 /nfs/dbraw/zinc/67/59/02/1273675902.db2.gz KRLGSWFGRJQZCX-MRXNPFEDSA-N 2 0 369.473 0.947 20 0 FCADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576786921 1273677801 /nfs/dbraw/zinc/67/78/01/1273677801.db2.gz UOMDEQHOUXEQFD-CYBMUJFWSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796664 1273699308 /nfs/dbraw/zinc/69/93/08/1273699308.db2.gz QKESXUUJVSGEIE-STQMWFEESA-N 2 0 358.450 0.250 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)C[C@@H](C)O1 ZINC001576801709 1273707803 /nfs/dbraw/zinc/70/78/03/1273707803.db2.gz UFEXDHVCOMCBIL-MDZRGWNJSA-N 2 0 353.507 0.887 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001576802185 1273709841 /nfs/dbraw/zinc/70/98/41/1273709841.db2.gz WKEZRFRBIGTWCJ-HUUCEWRRSA-N 2 0 354.495 0.982 20 0 FCADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576826153 1273751599 /nfs/dbraw/zinc/75/15/99/1273751599.db2.gz ZYLBDARZMFVPTL-CYBMUJFWSA-N 2 0 358.450 0.395 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cnn[nH]4)CC3)C2)C1 ZINC001576877370 1273858658 /nfs/dbraw/zinc/85/86/58/1273858658.db2.gz UZLCPODYONVCCH-KSTDHSDQSA-N 2 0 362.478 0.386 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576993760 1274025547 /nfs/dbraw/zinc/02/55/47/1274025547.db2.gz ADAIYEZWXOCLDI-LSDHHAIUSA-N 2 0 363.510 0.782 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH2+]CCc3cn[nH]n3)CC2)CC[N@@H+]1C ZINC001577211929 1274253738 /nfs/dbraw/zinc/25/37/38/1274253738.db2.gz UYVDCKDSIRTDFZ-GJZGRUSLSA-N 2 0 364.494 0.021 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC001577535681 1274477698 /nfs/dbraw/zinc/47/76/98/1274477698.db2.gz FVXCFNQDTDSRIY-HOTGVXAUSA-N 2 0 351.495 0.467 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550282 1274489611 /nfs/dbraw/zinc/48/96/11/1274489611.db2.gz CGNHPYPAXVSESI-ZIAGYGMSSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001577554138 1274494890 /nfs/dbraw/zinc/49/48/90/1274494890.db2.gz BKAUSTSUNFLVOK-ZDUSSCGKSA-N 2 0 356.492 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577554076 1274495689 /nfs/dbraw/zinc/49/56/89/1274495689.db2.gz PEMKFQSDLJMULA-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560377 1274508385 /nfs/dbraw/zinc/50/83/85/1274508385.db2.gz CZQVOMFLPASVKA-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577565372 1274520030 /nfs/dbraw/zinc/52/00/30/1274520030.db2.gz RZVOQCUYRGBSOR-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577568080 1274527011 /nfs/dbraw/zinc/52/70/11/1274527011.db2.gz MEQYFKYAMNZILW-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP CCCN(CCNC(=O)CC[NH+](C)C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577603971 1274574688 /nfs/dbraw/zinc/57/46/88/1274574688.db2.gz IFWWNQIJKBLSBV-UHFFFAOYSA-N 2 0 360.466 0.854 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666318 1274685925 /nfs/dbraw/zinc/68/59/25/1274685925.db2.gz ZHHWERNOFIRLTQ-CJNGLKHVSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669150 1274694983 /nfs/dbraw/zinc/69/49/83/1274694983.db2.gz OWBWOQIQWHBMKN-CZUORRHYSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672944 1274704496 /nfs/dbraw/zinc/70/44/96/1274704496.db2.gz DJMPQGDWDCWPSO-DOMZBBRYSA-N 2 0 358.450 0.475 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673364 1274707268 /nfs/dbraw/zinc/70/72/68/1274707268.db2.gz JTZUECMZNDFFDU-XEZPLFJOSA-N 2 0 370.461 0.617 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH2+]C)C1 ZINC001577681302 1274728927 /nfs/dbraw/zinc/72/89/27/1274728927.db2.gz QQLOEPADANCPDI-RBSFLKMASA-N 2 0 363.510 0.758 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)C1 ZINC001577697483 1274764296 /nfs/dbraw/zinc/76/42/96/1274764296.db2.gz KRQAPEOYYNFYLR-CABCVRRESA-N 2 0 363.510 0.412 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849302 1274983392 /nfs/dbraw/zinc/98/33/92/1274983392.db2.gz IQXPUUHGPVXZFL-UHFFFAOYSA-N 2 0 360.466 0.807 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577856306 1275013002 /nfs/dbraw/zinc/01/30/02/1275013002.db2.gz WSDKXNKRFHOMHV-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862723 1275031225 /nfs/dbraw/zinc/03/12/25/1275031225.db2.gz JIHSDOBJIXXBBY-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577863755 1275038064 /nfs/dbraw/zinc/03/80/64/1275038064.db2.gz ZJDLGUZIVKTJJE-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867232 1275050426 /nfs/dbraw/zinc/05/04/26/1275050426.db2.gz YHLCZNBUCGHWBG-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577869422 1275052991 /nfs/dbraw/zinc/05/29/91/1275052991.db2.gz BTYVTLWXVYAGDU-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882965 1275083718 /nfs/dbraw/zinc/08/37/18/1275083718.db2.gz QDMUKXQXRVZEGO-ZIAGYGMSSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883244 1275086498 /nfs/dbraw/zinc/08/64/98/1275086498.db2.gz XKQQAOWPPKZVRG-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577885616 1275088630 /nfs/dbraw/zinc/08/86/30/1275088630.db2.gz IHSMMUJXSUYYIN-DZGCQCFKSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577885618 1275089176 /nfs/dbraw/zinc/08/91/76/1275089176.db2.gz IHSMMUJXSUYYIN-UKRRQHHQSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577892500 1275102431 /nfs/dbraw/zinc/10/24/31/1275102431.db2.gz OYTBCHHFJVLKET-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP O=C(C[NH+]1CCCC1)NCCCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001577922821 1275131934 /nfs/dbraw/zinc/13/19/34/1275131934.db2.gz JZYLKMQKRAFFDB-UHFFFAOYSA-N 2 0 363.510 0.305 20 0 FCADRP CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001577966930 1275192051 /nfs/dbraw/zinc/19/20/51/1275192051.db2.gz BAXUOLMNCZFMJS-ZFWWWQNUSA-N 2 0 352.435 0.228 20 0 FCADRP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001578181042 1275471200 /nfs/dbraw/zinc/47/12/00/1275471200.db2.gz AJMDFYMMMBRSEQ-KGLIPLIRSA-N 2 0 372.477 0.853 20 0 FCADRP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001578181872 1275472409 /nfs/dbraw/zinc/47/24/09/1275472409.db2.gz ZAOLZJWPZFIUKQ-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)CC1 ZINC001578216155 1275509160 /nfs/dbraw/zinc/50/91/60/1275509160.db2.gz ZHIUFRMIFLOZMJ-CQSZACIVSA-N 2 0 371.493 0.899 20 0 FCADRP CCc1nnc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578308186 1275644337 /nfs/dbraw/zinc/64/43/37/1275644337.db2.gz DTTBQGRLQQRUAD-LSDHHAIUSA-N 2 0 350.511 0.861 20 0 FCADRP CCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578315631 1275654837 /nfs/dbraw/zinc/65/48/37/1275654837.db2.gz VBFLAHHMIPHYHK-IAGOWNOFSA-N 2 0 363.554 0.912 20 0 FCADRP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2[NH2+]1 ZINC001578324164 1275669616 /nfs/dbraw/zinc/66/96/16/1275669616.db2.gz HKYOOSNTVNQPAB-IXDOHACOSA-N 2 0 362.522 0.995 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001578397580 1275772565 /nfs/dbraw/zinc/77/25/65/1275772565.db2.gz RGJXDHINBDKCKB-CABCVRRESA-N 2 0 353.511 0.616 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NC[C@@H]2COCC[NH2+]2)c1-c1ccccc1 ZINC001578419289 1275787107 /nfs/dbraw/zinc/78/71/07/1275787107.db2.gz PWRIUAZXAPETLD-MRXNPFEDSA-N 2 0 357.458 0.830 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1([NH3+])CCC1 ZINC001578419176 1275787232 /nfs/dbraw/zinc/78/72/32/1275787232.db2.gz ZDZUBDUAYWLURX-QGZVFWFLSA-N 2 0 358.486 0.889 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578421721 1275790124 /nfs/dbraw/zinc/79/01/24/1275790124.db2.gz YDSZSZQLDFNEET-ZNMIVQPWSA-N 2 0 374.445 0.542 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001578421715 1275790212 /nfs/dbraw/zinc/79/02/12/1275790212.db2.gz XYYMVVDBNILKEJ-UHFFFAOYSA-N 2 0 353.488 0.891 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446629 1275831913 /nfs/dbraw/zinc/83/19/13/1275831913.db2.gz DGYGVEMLVZRGAK-DVOMOZLQSA-N 2 0 372.477 0.721 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001578466781 1275878973 /nfs/dbraw/zinc/87/89/73/1275878973.db2.gz WJUCJPBLVIVPIF-UHFFFAOYSA-N 2 0 358.508 0.962 20 0 FCADRP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001578470691 1275882066 /nfs/dbraw/zinc/88/20/66/1275882066.db2.gz MAVNRRTXPKSURC-OAHLLOKOSA-N 2 0 363.441 0.894 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578525604 1275958129 /nfs/dbraw/zinc/95/81/29/1275958129.db2.gz JPXSKZXRQJEQEA-KSSFIOAISA-N 2 0 357.462 0.192 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001578525931 1275958961 /nfs/dbraw/zinc/95/89/61/1275958961.db2.gz UIFYZADFNHBSTQ-LPHOPBHVSA-N 2 0 374.464 0.612 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578526001 1275960038 /nfs/dbraw/zinc/96/00/38/1275960038.db2.gz WPZXJOJIQJKNMX-VQIMIIECSA-N 2 0 371.489 0.116 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001578533581 1275965393 /nfs/dbraw/zinc/96/53/93/1275965393.db2.gz OCAJWIUULYETOO-VQIMIIECSA-N 2 0 352.523 0.759 20 0 FCADRP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001578576010 1276008160 /nfs/dbraw/zinc/00/81/60/1276008160.db2.gz MTUJHUCTWOTAMQ-IIAWOOMASA-N 2 0 358.494 0.959 20 0 FCADRP C[NH2+][C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)CCOC)C1 ZINC001578601277 1276033714 /nfs/dbraw/zinc/03/37/14/1276033714.db2.gz AYBXXBVHRFRJLZ-HOTGVXAUSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578611645 1276046358 /nfs/dbraw/zinc/04/63/58/1276046358.db2.gz SREBDIJNZNCAEP-AUUYWEPGSA-N 2 0 374.464 0.949 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578660835 1276109857 /nfs/dbraw/zinc/10/98/57/1276109857.db2.gz SGLVJNSPKCGKDZ-YJBOKZPZSA-N 2 0 350.511 0.904 20 0 FCADRP C[NH2+]C[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578660832 1276109967 /nfs/dbraw/zinc/10/99/67/1276109967.db2.gz SGLVJNSPKCGKDZ-CRAIPNDOSA-N 2 0 350.511 0.904 20 0 FCADRP C[NH2+]CCn1c(C(=O)NC(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001578720958 1276194309 /nfs/dbraw/zinc/19/43/09/1276194309.db2.gz JYRQFEUHQMOVHN-UHFFFAOYSA-N 2 0 351.499 0.603 20 0 FCADRP CO[C@@H]1C[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936584 1276479628 /nfs/dbraw/zinc/47/96/28/1276479628.db2.gz WCXFPLTUPUVXHU-DLBZAZTESA-N 2 0 359.474 0.313 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578970705 1276514723 /nfs/dbraw/zinc/51/47/23/1276514723.db2.gz HGMUXKKQEAPLTK-OAHLLOKOSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578972718 1276517717 /nfs/dbraw/zinc/51/77/17/1276517717.db2.gz BEPLQALTJULAEK-HNNXBMFYSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578973376 1276518819 /nfs/dbraw/zinc/51/88/19/1276518819.db2.gz ZDPRQHYOOQGAIH-BETUJISGSA-N 2 0 370.461 0.332 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001578973391 1276519019 /nfs/dbraw/zinc/51/90/19/1276519019.db2.gz ZKDPBICNBMBMEU-OAHLLOKOSA-N 2 0 370.461 0.332 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578974693 1276522548 /nfs/dbraw/zinc/52/25/48/1276522548.db2.gz RBAZYSQPWTVLSV-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP CN(C[C@@H]1CCCN1C(=O)CC[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578976784 1276529811 /nfs/dbraw/zinc/52/98/11/1276529811.db2.gz FNTFPWXZEKWMIE-ZDUSSCGKSA-N 2 0 358.450 0.641 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578978970 1276537759 /nfs/dbraw/zinc/53/77/59/1276537759.db2.gz RUJBOWOSGYKETJ-CYBMUJFWSA-N 2 0 358.450 0.689 20 0 FCADRP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578980522 1276540152 /nfs/dbraw/zinc/54/01/52/1276540152.db2.gz JRPCVVLLSXUIMR-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001578981522 1276541875 /nfs/dbraw/zinc/54/18/75/1276541875.db2.gz YVHZZJZBSGLAJM-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578988146 1276559194 /nfs/dbraw/zinc/55/91/94/1276559194.db2.gz QAAPCDNSQRVTQE-QLPKVWCKSA-N 2 0 355.446 0.365 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579011207 1276584907 /nfs/dbraw/zinc/58/49/07/1276584907.db2.gz YJJYXMDOVYXOND-JOCQHMNTSA-N 2 0 372.477 0.721 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021272 1276598990 /nfs/dbraw/zinc/59/89/90/1276598990.db2.gz LKLWLZIPKKSPGZ-HOTGVXAUSA-N 2 0 366.510 0.548 20 0 FCADRP COCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021273 1276599448 /nfs/dbraw/zinc/59/94/48/1276599448.db2.gz LKLWLZIPKKSPGZ-HZPDHXFCSA-N 2 0 366.510 0.548 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579022110 1276599578 /nfs/dbraw/zinc/59/95/78/1276599578.db2.gz RWXXKRNWXZVDNF-OAHLLOKOSA-N 2 0 359.478 0.846 20 0 FCADRP COCC[N@H+](C)CCn1c(CC(C)C)nnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001579022489 1276601873 /nfs/dbraw/zinc/60/18/73/1276601873.db2.gz XBOHBQLVNIHHFX-IYBDPMFKSA-N 2 0 350.511 0.710 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579027828 1276611491 /nfs/dbraw/zinc/61/14/91/1276611491.db2.gz QTOPQRYYJQUSDS-DLBZAZTESA-N 2 0 356.511 0.883 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC001579032968 1276617647 /nfs/dbraw/zinc/61/76/47/1276617647.db2.gz NZSBJMHFQPBEPL-SJLPKXTDSA-N 2 0 357.495 0.339 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC001579032969 1276619332 /nfs/dbraw/zinc/61/93/32/1276619332.db2.gz NZSBJMHFQPBEPL-WMZOPIPTSA-N 2 0 357.495 0.339 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@H](C)OC3(CC[NH2+]CC3)C2)CC1 ZINC001579038211 1276622263 /nfs/dbraw/zinc/62/22/63/1276622263.db2.gz DOQOJSUVKJRBNM-HNNXBMFYSA-N 2 0 354.495 0.650 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2C[NH2+]C2)C[C@H]1C ZINC001579039611 1276627398 /nfs/dbraw/zinc/62/73/98/1276627398.db2.gz WJZWKLADQMVQOQ-CQSZACIVSA-N 2 0 372.477 0.111 20 0 FCADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001579133621 1276836319 /nfs/dbraw/zinc/83/63/19/1276836319.db2.gz ZHSPVGGMLDCQHD-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579186516 1276954806 /nfs/dbraw/zinc/95/48/06/1276954806.db2.gz ILYVZQKULWMHDB-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001579215108 1277011077 /nfs/dbraw/zinc/01/10/77/1277011077.db2.gz XYJHDGYTGMQOKP-XJKSGUPXSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579256376 1277052118 /nfs/dbraw/zinc/05/21/18/1277052118.db2.gz UUZOGMDIOLERTH-IRXDYDNUSA-N 2 0 369.473 0.994 20 0 FCADRP COc1cccc([C@@H](CNC(=O)[C@]2(F)C[NH2+]CC23COC3)[NH+](C)C)c1 ZINC001579258836 1277055896 /nfs/dbraw/zinc/05/58/96/1277055896.db2.gz CJLCYUMUZSQKJF-CRAIPNDOSA-N 2 0 351.422 0.742 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579262967 1277062355 /nfs/dbraw/zinc/06/23/55/1277062355.db2.gz YFIZABUESKXBRY-INIZCTEOSA-N 2 0 369.473 0.995 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579327295 1277155686 /nfs/dbraw/zinc/15/56/86/1277155686.db2.gz ZFRSGFSNWPMUIO-HOTGVXAUSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331243 1277159993 /nfs/dbraw/zinc/15/99/93/1277159993.db2.gz BNQKZXQVIIYDGW-ZDUSSCGKSA-N 2 0 373.436 0.696 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001579331553 1277163239 /nfs/dbraw/zinc/16/32/39/1277163239.db2.gz FNSZHXILYNFCJH-UHFFFAOYSA-N 2 0 356.434 0.086 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331691 1277163540 /nfs/dbraw/zinc/16/35/40/1277163540.db2.gz GPYIXTPUKBFDOS-IAGOWNOFSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334294 1277170879 /nfs/dbraw/zinc/17/08/79/1277170879.db2.gz WLRRVBDSHDOJIG-JKSUJKDBSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334290 1277171139 /nfs/dbraw/zinc/17/11/39/1277171139.db2.gz WLRRVBDSHDOJIG-HOTGVXAUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335804 1277175437 /nfs/dbraw/zinc/17/54/37/1277175437.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339827 1277183641 /nfs/dbraw/zinc/18/36/41/1277183641.db2.gz NNNUFJINDMMHSK-MUYACECFSA-N 2 0 373.486 0.426 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579339790 1277183689 /nfs/dbraw/zinc/18/36/89/1277183689.db2.gz MLASGUQQCCFHLY-JOCQHMNTSA-N 2 0 356.434 0.085 20 0 FCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340294 1277185231 /nfs/dbraw/zinc/18/52/31/1277185231.db2.gz TYBSFMLEJMXRFC-KBPBESRZSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341466 1277188735 /nfs/dbraw/zinc/18/87/35/1277188735.db2.gz MSAKPZXILVNVDC-UONOGXRCSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579347953 1277203694 /nfs/dbraw/zinc/20/36/94/1277203694.db2.gz RCJVGKKFXXKBMD-XIRDDKMYSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353089 1277209446 /nfs/dbraw/zinc/20/94/46/1277209446.db2.gz CVZXKLMHIKDKOJ-CZUORRHYSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354288 1277216902 /nfs/dbraw/zinc/21/69/02/1277216902.db2.gz YCURQHMLKIACMB-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353922 1277217628 /nfs/dbraw/zinc/21/76/28/1277217628.db2.gz WPVSXBBRQPVEDZ-OAHLLOKOSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579356887 1277222755 /nfs/dbraw/zinc/22/27/55/1277222755.db2.gz PFPJVUHGEYTNIC-BDVYOWHSSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358688 1277226566 /nfs/dbraw/zinc/22/65/66/1277226566.db2.gz IEMWVHRBFZWAAX-SJORKVTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363140 1277240811 /nfs/dbraw/zinc/24/08/11/1277240811.db2.gz WEJFFNGFEXQNMM-LZWOXQAQSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362563 1277242443 /nfs/dbraw/zinc/24/24/43/1277242443.db2.gz SOTKTAVRVXGZDF-IIAWOOMASA-N 2 0 373.436 0.837 20 0 FCADRP CS[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H]1[NH+]1CCCC1 ZINC001579370489 1277252972 /nfs/dbraw/zinc/25/29/72/1277252972.db2.gz QXLPOTBQFIZYJN-LSDHHAIUSA-N 2 0 352.508 0.669 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380894 1277258472 /nfs/dbraw/zinc/25/84/72/1277258472.db2.gz BAAVPNCKILEYOC-DYEKYZERSA-N 2 0 373.486 0.917 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001579444517 1277331120 /nfs/dbraw/zinc/33/11/20/1277331120.db2.gz QWUSPICMUVNFAQ-RDTXWAMCSA-N 2 0 357.462 0.205 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001579475685 1277381758 /nfs/dbraw/zinc/38/17/58/1277381758.db2.gz MJAWGYZSZZFMGB-ZBFHGGJFSA-N 2 0 359.474 0.379 20 0 FCADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529935 1277492634 /nfs/dbraw/zinc/49/26/34/1277492634.db2.gz ONKPYTHZGWGWJF-UZLBHIALSA-N 2 0 355.486 0.975 20 0 FCADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529933 1277493169 /nfs/dbraw/zinc/49/31/69/1277493169.db2.gz ONKPYTHZGWGWJF-OXQOHEQNSA-N 2 0 355.486 0.975 20 0 FCADRP Cc1cc(NC(=O)c2cn(C3C[NH2+]C3)nn2)ccc1N1CC[NH+](C)CC1 ZINC001579635596 1277699059 /nfs/dbraw/zinc/69/90/59/1277699059.db2.gz XUAVSQRJEMWZHA-UHFFFAOYSA-N 2 0 355.446 0.735 20 0 FCADRP Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001579911428 1277959272 /nfs/dbraw/zinc/95/92/72/1277959272.db2.gz PIXJMJUSCZQMHU-JKSUJKDBSA-N 2 0 363.510 0.314 20 0 FCADRP Cn1cc(-c2nnc(N3CC[C@H](C[NH3+])C3)n2CCC[NH+]2CCCC2)cn1 ZINC001579949090 1277976386 /nfs/dbraw/zinc/97/63/86/1277976386.db2.gz GECPGJJRCTYHAS-OAHLLOKOSA-N 2 0 358.494 0.950 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580027527 1277994101 /nfs/dbraw/zinc/99/41/01/1277994101.db2.gz CUXJLDSCIBZDHA-GFCCVEGCSA-N 2 0 361.450 0.421 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001714324082 1287318843 /nfs/dbraw/zinc/31/88/43/1287318843.db2.gz DGGQBMLENRTNQQ-HRCADAONSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580270193 1278062705 /nfs/dbraw/zinc/06/27/05/1278062705.db2.gz KFUFWQDUEFCYKU-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580271039 1278064278 /nfs/dbraw/zinc/06/42/78/1278064278.db2.gz ZRAKYOIHFBWNEM-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP [NH3+]C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCCC2)CCO1 ZINC001580274659 1278070764 /nfs/dbraw/zinc/07/07/64/1278070764.db2.gz BCGDXRKHSDPKTG-HNNXBMFYSA-N 2 0 359.478 0.923 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580279820 1278076001 /nfs/dbraw/zinc/07/60/01/1278076001.db2.gz IDUYNQXDJREKLE-ZDUSSCGKSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001580279926 1278079786 /nfs/dbraw/zinc/07/97/86/1278079786.db2.gz MXLVYCIYOVDRKW-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC001580857873 1279052893 /nfs/dbraw/zinc/05/28/93/1279052893.db2.gz ADONYCHRAWAMCS-JONQDZQNSA-N 2 0 353.463 0.300 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956710 1279160084 /nfs/dbraw/zinc/16/00/84/1279160084.db2.gz MOVOOUAOCGZNMS-UONOGXRCSA-N 2 0 370.461 0.464 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959673 1279163328 /nfs/dbraw/zinc/16/33/28/1279163328.db2.gz YYHODPPARWTDJT-HZSPNIEDSA-N 2 0 370.461 0.605 20 0 FCADRP Cc1cc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961806 1279165315 /nfs/dbraw/zinc/16/53/15/1279165315.db2.gz LGRSJRYKONHJFW-CYBMUJFWSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968032 1279168850 /nfs/dbraw/zinc/16/88/50/1279168850.db2.gz GLNISPDRMRZPMP-CQSZACIVSA-N 2 0 370.461 0.561 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970388 1279171516 /nfs/dbraw/zinc/17/15/16/1279171516.db2.gz MYTHLSGAUXKGOO-HNNXBMFYSA-N 2 0 370.461 0.703 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972913 1279172738 /nfs/dbraw/zinc/17/27/38/1279172738.db2.gz MAMLMKYKKZBIGG-OCCSQVGLSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580978102 1279179835 /nfs/dbraw/zinc/17/98/35/1279179835.db2.gz HCZRGZPKGCZCET-YUELXQCFSA-N 2 0 370.461 0.748 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987828 1279186656 /nfs/dbraw/zinc/18/66/56/1279186656.db2.gz MPSGCZNOPHLPCG-LRDDRELGSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988011 1279187064 /nfs/dbraw/zinc/18/70/64/1279187064.db2.gz OVDSSTDOPPRIQG-UONOGXRCSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988780 1279188177 /nfs/dbraw/zinc/18/81/77/1279188177.db2.gz URQHAOMJPZKJDO-LRDDRELGSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988981 1279188901 /nfs/dbraw/zinc/18/89/01/1279188901.db2.gz VBMJWNNGVIWKRU-AAEUAGOBSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991299 1279194499 /nfs/dbraw/zinc/19/44/99/1279194499.db2.gz YGYPFOORUJEXBA-QWHCGFSZSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(NC2(CNC(=O)CCCC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581000449 1279216095 /nfs/dbraw/zinc/21/60/95/1279216095.db2.gz ZJQMBODRRKZKNB-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006132 1279224908 /nfs/dbraw/zinc/22/49/08/1279224908.db2.gz LKQYBNZJGGIQAF-KBPBESRZSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010643 1279236957 /nfs/dbraw/zinc/23/69/57/1279236957.db2.gz RUBBRSZTIJZUBA-GFCCVEGCSA-N 2 0 370.461 0.252 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010976 1279237736 /nfs/dbraw/zinc/23/77/36/1279237736.db2.gz ZXDDKTHIWMETPH-GFCCVEGCSA-N 2 0 358.450 0.252 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013789 1279241018 /nfs/dbraw/zinc/24/10/18/1279241018.db2.gz WCWOGZWEKRFZCC-MRVWCRGKSA-N 2 0 372.477 0.496 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015818 1279244384 /nfs/dbraw/zinc/24/43/84/1279244384.db2.gz DODYHJBUNNHGGX-CVEARBPZSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581021195 1279251500 /nfs/dbraw/zinc/25/15/00/1279251500.db2.gz JKPNVYXQJSWFHX-CQSZACIVSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025229 1279257851 /nfs/dbraw/zinc/25/78/51/1279257851.db2.gz RKJZBLLARMTLEK-GFCCVEGCSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026314 1279259115 /nfs/dbraw/zinc/25/91/15/1279259115.db2.gz CNTNNXIDLQYYPI-OAHLLOKOSA-N 2 0 360.466 0.496 20 0 FCADRP Cc1cc(NCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027722 1279263444 /nfs/dbraw/zinc/26/34/44/1279263444.db2.gz VWZZQHCZNSFQMX-TZMCWYRMSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030873 1279268416 /nfs/dbraw/zinc/26/84/16/1279268416.db2.gz RTJXXUUBFQNIJR-IUODEOHRSA-N 2 0 360.466 0.495 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039418 1279277891 /nfs/dbraw/zinc/27/78/91/1279277891.db2.gz YJZHFJWLJZMMJB-AVGNSLFASA-N 2 0 356.434 0.003 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001603518903 1287401702 /nfs/dbraw/zinc/40/17/02/1287401702.db2.gz XICUNDJHQKHKSL-CYBMUJFWSA-N 2 0 360.466 0.535 20 0 FCADRP C[C@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1)C(N)=O ZINC001718034272 1287453779 /nfs/dbraw/zinc/45/37/79/1287453779.db2.gz GCHOHCVPPHNTKL-YWPYICTPSA-N 2 0 350.438 0.746 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582100463 1281056863 /nfs/dbraw/zinc/05/68/63/1281056863.db2.gz HVQDLZZXLVFRHH-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582100884 1281057888 /nfs/dbraw/zinc/05/78/88/1281057888.db2.gz SIWSUXRTDDDMFC-WOVMCDHWSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001582211145 1281192009 /nfs/dbraw/zinc/19/20/09/1281192009.db2.gz GEASMEGTEHOFDK-CYBMUJFWSA-N 2 0 368.445 0.325 20 0 FCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001603839536 1287512703 /nfs/dbraw/zinc/51/27/03/1287512703.db2.gz ZIHIISRGRVTOBT-TZMCWYRMSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603919968 1287534662 /nfs/dbraw/zinc/53/46/62/1287534662.db2.gz DBWQDCGUXKZDBH-BLLLJJGKSA-N 2 0 370.461 0.284 20 0 FCADRP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001640201526 1282845266 /nfs/dbraw/zinc/84/52/66/1282845266.db2.gz JKXPTWJAOHLIEK-INIZCTEOSA-N 2 0 368.909 0.891 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCC[NH+](C)C ZINC001589846331 1283081300 /nfs/dbraw/zinc/08/13/00/1283081300.db2.gz GIXJHPONTDRSRI-ZDUSSCGKSA-N 2 0 360.466 0.935 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001590269310 1283395369 /nfs/dbraw/zinc/39/53/69/1283395369.db2.gz LYBQVUJMDDSCHW-HSBZDZAISA-N 2 0 370.461 0.427 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001590269186 1283396571 /nfs/dbraw/zinc/39/65/71/1283396571.db2.gz QSYHJMCVPMLISO-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271266 1283398757 /nfs/dbraw/zinc/39/87/57/1283398757.db2.gz YSTCJPXHDDSQEX-MPNWYJEXSA-N 2 0 369.473 0.971 20 0 FCADRP CC[C@H](C(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590370725 1283506181 /nfs/dbraw/zinc/50/61/81/1283506181.db2.gz SCVKHVFXOVVZKG-CQSZACIVSA-N 2 0 360.466 0.853 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)CC1 ZINC001682241181 1283543336 /nfs/dbraw/zinc/54/33/36/1283543336.db2.gz BFYXJCRWZAZTCJ-DOTOQJQBSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590457438 1283549121 /nfs/dbraw/zinc/54/91/21/1283549121.db2.gz YXMWNHWRFINJKL-HNNXBMFYSA-N 2 0 360.466 0.677 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001590866247 1283934412 /nfs/dbraw/zinc/93/44/12/1283934412.db2.gz DBWANNMJDCTXRF-XJKSGUPXSA-N 2 0 372.477 0.674 20 0 FCADRP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001591104554 1284178068 /nfs/dbraw/zinc/17/80/68/1284178068.db2.gz OOJGMFBINQORFA-KRWDZBQOSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175091 1284261730 /nfs/dbraw/zinc/26/17/30/1284261730.db2.gz GOOIBNLHWDDMRA-WOMSROEHSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176261 1284269854 /nfs/dbraw/zinc/26/98/54/1284269854.db2.gz MLIHRNZFAUEQKO-WOMSROEHSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186576 1284295762 /nfs/dbraw/zinc/29/57/62/1284295762.db2.gz UGXGRTTYYGDDNT-PYLYLYNFSA-N 2 0 370.461 0.642 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1(C)C ZINC001591193634 1284312363 /nfs/dbraw/zinc/31/23/63/1284312363.db2.gz UNLFVYQVXSARLT-UHFFFAOYSA-N 2 0 370.465 0.025 20 0 FCADRP C[NH+](C)C1(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001604673813 1287723821 /nfs/dbraw/zinc/72/38/21/1287723821.db2.gz VHDDAIHFIPDFFQ-UHFFFAOYSA-N 2 0 370.461 0.475 20 0 FCADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[nH]n1 ZINC001591526492 1284712358 /nfs/dbraw/zinc/71/23/58/1284712358.db2.gz SOPVRQLNBSMGKW-CYBMUJFWSA-N 2 0 359.434 0.162 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753898 1284883317 /nfs/dbraw/zinc/88/33/17/1284883317.db2.gz GTMIKCRCEHBFPF-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC001591774700 1284893868 /nfs/dbraw/zinc/89/38/68/1284893868.db2.gz VNZCKOCRYOLQFF-BBRMVZONSA-N 2 0 357.462 0.803 20 0 FCADRP Cc1cc(N2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000832 1285051430 /nfs/dbraw/zinc/05/14/30/1285051430.db2.gz ZKSSVTCZCIWQEE-ACJLOTCBSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592004441 1285053334 /nfs/dbraw/zinc/05/33/34/1285053334.db2.gz MAMLMKYKKZBIGG-TZMCWYRMSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)CCCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592051503 1285097024 /nfs/dbraw/zinc/09/70/24/1285097024.db2.gz UHTDELYXXGDBND-ZDUSSCGKSA-N 2 0 360.466 0.641 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001604754895 1287764086 /nfs/dbraw/zinc/76/40/86/1287764086.db2.gz YNLGHDBTAMESLZ-HNNXBMFYSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001604849233 1287797396 /nfs/dbraw/zinc/79/73/96/1287797396.db2.gz GBOCUDNOWGEOMH-JYJNAYRXSA-N 2 0 355.446 0.555 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001592751902 1285673456 /nfs/dbraw/zinc/67/34/56/1285673456.db2.gz KOKVYVWQBQNHHI-HNNXBMFYSA-N 2 0 370.461 0.574 20 0 FCADRP O=C(C[NH2+]CC1CC1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001592871626 1285779931 /nfs/dbraw/zinc/77/99/31/1285779931.db2.gz QRIWTMCLJJDCMO-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593413354 1286136099 /nfs/dbraw/zinc/13/60/99/1286136099.db2.gz QRJGJVKKWBYKMT-JKSUJKDBSA-N 2 0 369.429 0.624 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC001593508430 1286188376 /nfs/dbraw/zinc/18/83/76/1286188376.db2.gz RWJGVIGUKKNCCJ-HNNXBMFYSA-N 2 0 358.446 0.823 20 0 FCADRP c1cc(C2([NH2+]CCN3CC[NH2+]CC3)CCOCC2)ccc1-c1nn[nH]n1 ZINC001593551087 1286200782 /nfs/dbraw/zinc/20/07/82/1286200782.db2.gz CESZLULCRHQMKG-UHFFFAOYSA-N 2 0 357.462 0.367 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2([NH+](C)C)CCC2)C2CC2)CC[N@@H+]1C ZINC001704400362 1286242998 /nfs/dbraw/zinc/24/29/98/1286242998.db2.gz HMLFQBSLNDVDPP-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)CCC1 ZINC001735962482 1289093270 /nfs/dbraw/zinc/09/32/70/1289093270.db2.gz WGNBIKJEIQGPBK-CABCVRRESA-N 2 0 368.522 0.137 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854945 1287800402 /nfs/dbraw/zinc/80/04/02/1287800402.db2.gz VELBBPHEGGTGOS-ZRMMWKCHSA-N 2 0 356.434 0.110 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001719282773 1288020321 /nfs/dbraw/zinc/02/03/21/1288020321.db2.gz GIFZFVBNPTWAHV-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP Cc1cc(N(CCNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688942 1288050787 /nfs/dbraw/zinc/05/07/87/1288050787.db2.gz HMSLLZJKGZBWQC-HNNXBMFYSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721088 1288061031 /nfs/dbraw/zinc/06/10/31/1288061031.db2.gz QWFGQYOWKBPFRF-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001732062933 1288572649 /nfs/dbraw/zinc/57/26/49/1288572649.db2.gz CKPRNXBCTCIBTF-CEXWTWQISA-N 2 0 366.550 0.972 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001736233132 1289212323 /nfs/dbraw/zinc/21/23/23/1289212323.db2.gz FJCWOLIECIJDMQ-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692288976 1289444507 /nfs/dbraw/zinc/44/45/07/1289444507.db2.gz DYIKECLFVBTCMS-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CC[NH2+]CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102942 1289546442 /nfs/dbraw/zinc/54/64/42/1289546442.db2.gz WJPNMIWXZGOBHW-YNEHKIRRSA-N 2 0 353.492 0.906 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001699650964 1289560792 /nfs/dbraw/zinc/56/07/92/1289560792.db2.gz IIRCZRWLSBPBAH-HRCADAONSA-N 2 0 371.547 0.780 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739458496 1290035559 /nfs/dbraw/zinc/03/55/59/1290035559.db2.gz YXWZQWIXWMCXJJ-BRWVUGGUSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001741847666 1290562155 /nfs/dbraw/zinc/56/21/55/1290562155.db2.gz PQMHYDLUSAKHHZ-HUUCEWRRSA-N 2 0 363.510 0.710 20 0 FCADRP CN(C)c1ncnc2c1cc(C(=O)NCCN1CCC([NH+](C)C)CC1)n2C ZINC001629403057 1290599023 /nfs/dbraw/zinc/59/90/23/1290599023.db2.gz OWLPUCCHAPAISC-UHFFFAOYSA-N 2 0 373.505 0.790 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001752731950 1290614253 /nfs/dbraw/zinc/61/42/53/1290614253.db2.gz VGLLKINCOKFXIL-WISYIIOYSA-N 2 0 352.464 0.054 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001752941210 1290616586 /nfs/dbraw/zinc/61/65/86/1290616586.db2.gz FSTQDHKCBGJAHX-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](O)C2CCCCC2)CC[N@@H+]1C ZINC001754882489 1290634091 /nfs/dbraw/zinc/63/40/91/1290634091.db2.gz FTXHUIFXXUWRPZ-KBAYOESNSA-N 2 0 355.523 0.678 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)CC1 ZINC001645241414 1291012180 /nfs/dbraw/zinc/01/21/80/1291012180.db2.gz MTXAYZYNRMYYIO-MRXNPFEDSA-N 2 0 354.495 0.236 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2ccc(S(C)(=O)=O)o2)(N2CCOCC2)CC1 ZINC001651216664 1291207772 /nfs/dbraw/zinc/20/77/72/1291207772.db2.gz UBHMXXUGSCJSMD-UHFFFAOYSA-N 2 0 371.503 0.569 20 0 FCADRP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001653481981 1291347357 /nfs/dbraw/zinc/34/73/57/1291347357.db2.gz BUMJWSOLABFZBN-APWZRJJASA-N 2 0 363.502 0.688 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC001655541205 1291473126 /nfs/dbraw/zinc/47/31/26/1291473126.db2.gz GNVWYPKXQARUOP-LBPRGKRZSA-N 2 0 360.911 0.713 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956304 1292286426 /nfs/dbraw/zinc/28/64/26/1292286426.db2.gz AWPCDSVVEPITOK-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601274 1292310344 /nfs/dbraw/zinc/31/03/44/1292310344.db2.gz KOVDAKJQWIMVBQ-CVEARBPZSA-N 2 0 354.495 0.650 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001688612886 1294512371 /nfs/dbraw/zinc/51/23/71/1294512371.db2.gz LSQPMRXKBNNQCG-BHYGNILZSA-N 2 0 366.506 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001689035552 1294580901 /nfs/dbraw/zinc/58/09/01/1294580901.db2.gz BXHZVQXRHQWWOZ-BPQIPLTHSA-N 2 0 363.506 0.682 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001689070871 1294594054 /nfs/dbraw/zinc/59/40/54/1294594054.db2.gz IIAKAQLFOZRQRG-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689083825 1294601811 /nfs/dbraw/zinc/60/18/11/1294601811.db2.gz PPABDJQMYDVOMG-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001689131936 1294621018 /nfs/dbraw/zinc/62/10/18/1294621018.db2.gz YLPXYWBDTIGCHR-OWCLPIDISA-N 2 0 366.506 0.740 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001689220517 1294675668 /nfs/dbraw/zinc/67/56/68/1294675668.db2.gz COLNDTIYTKHRDJ-SJORKVTESA-N 2 0 363.506 0.875 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001689230248 1294689775 /nfs/dbraw/zinc/68/97/75/1294689775.db2.gz UGOJVRWRJSFMEQ-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001689236893 1294697916 /nfs/dbraw/zinc/69/79/16/1294697916.db2.gz YDOPISQJTOCKSL-RYRKJORJSA-N 2 0 352.523 0.831 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)[C@@H]1C)[NH+](C)C ZINC001689329722 1294754912 /nfs/dbraw/zinc/75/49/12/1294754912.db2.gz NBSRTEHZSRZXOX-FRRDWIJNSA-N 2 0 366.428 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@@H+]1C ZINC001690338288 1294865305 /nfs/dbraw/zinc/86/53/05/1294865305.db2.gz RFRZUQKUEAYDHU-VDNDLQMASA-N 2 0 362.518 0.868 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001691786401 1294922654 /nfs/dbraw/zinc/92/26/54/1294922654.db2.gz YUVCIBWABCYTBI-KBUPBQIOSA-N 2 0 363.462 0.746 20 0 FCADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001691837967 1294934307 /nfs/dbraw/zinc/93/43/07/1294934307.db2.gz SUHWGTIFQJEMSG-CABCVRRESA-N 2 0 359.536 0.590 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164685784 719696139 /nfs/dbraw/zinc/69/61/39/719696139.db2.gz MAYHGTJCWURMGR-UHFFFAOYSA-N 2 0 358.490 0.346 20 0 FCADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164865669 721086602 /nfs/dbraw/zinc/08/66/02/721086602.db2.gz OEXURPXZQDQZQV-SJORKVTESA-N 2 0 352.442 0.955 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930816 721852966 /nfs/dbraw/zinc/85/29/66/721852966.db2.gz SUQZLZRBNHQFAC-LSDHHAIUSA-N 2 0 350.898 0.990 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001070333523 837647485 /nfs/dbraw/zinc/64/74/85/837647485.db2.gz CQKZJFZXEYSKJB-OWCLPIDISA-N 2 0 352.458 0.710 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106811 837735605 /nfs/dbraw/zinc/73/56/05/837735605.db2.gz XRKVDYRZPHLMHN-MJGOQNOKSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001100343568 844051595 /nfs/dbraw/zinc/05/15/95/844051595.db2.gz IQUCDODUXQOCHO-LHUBUQBQSA-N 2 0 350.507 0.679 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000382750255 836050702 /nfs/dbraw/zinc/05/07/02/836050702.db2.gz FIOXMMRONCAFLT-QGZVFWFLSA-N 2 0 352.504 0.590 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266640 844126429 /nfs/dbraw/zinc/12/64/29/844126429.db2.gz MWPQEPJULNMIGE-AEFFLSMTSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000747469673 836244867 /nfs/dbraw/zinc/24/48/67/836244867.db2.gz HUMUENCRQSJNQK-RHSMWYFYSA-N 2 0 356.467 0.334 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@@]2(C)C1 ZINC001101351689 844154862 /nfs/dbraw/zinc/15/48/62/844154862.db2.gz LKCPUXBEDRYHSZ-BEFAXECRSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351326 844154304 /nfs/dbraw/zinc/15/43/04/844154304.db2.gz DFASOBKXQXWSIS-MDZRGWNJSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101352854 844156226 /nfs/dbraw/zinc/15/62/26/844156226.db2.gz MMYBUFSUGCAWRX-GMBSWORKSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352628 844156624 /nfs/dbraw/zinc/15/66/24/844156624.db2.gz IDSQJFWUSPNQKK-FCEWJHQRSA-N 2 0 352.523 0.974 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354144 844156781 /nfs/dbraw/zinc/15/67/81/844156781.db2.gz SNNHVPBCGNIFSP-SUMDDJOVSA-N 2 0 352.523 0.878 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101362847 844160784 /nfs/dbraw/zinc/16/07/84/844160784.db2.gz HGYLYBXBYLWSFM-FCEWJHQRSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCC(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC000823759314 836518530 /nfs/dbraw/zinc/51/85/30/836518530.db2.gz CADBLRBMQIGYFB-UHFFFAOYSA-N 2 0 359.536 0.891 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)on1 ZINC001101431519 844184269 /nfs/dbraw/zinc/18/42/69/844184269.db2.gz RKXFJGALXDCPOW-QAPCUYQASA-N 2 0 350.463 0.842 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101432328 844184694 /nfs/dbraw/zinc/18/46/94/844184694.db2.gz MIGFQCQSBNSISP-FCEWJHQRSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@]12CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101446663 844188119 /nfs/dbraw/zinc/18/81/19/844188119.db2.gz BWSHVPGTFVJIIF-NEWSRXKRSA-N 2 0 351.491 0.262 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061741513 836713231 /nfs/dbraw/zinc/71/32/31/836713231.db2.gz SSUZNNWOGDQYRF-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001063227591 836758516 /nfs/dbraw/zinc/75/85/16/836758516.db2.gz WMACAGJGAPAVLN-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474175 844198681 /nfs/dbraw/zinc/19/86/81/844198681.db2.gz KQZGCUIYYAUATI-LMMKCTJWSA-N 2 0 353.507 0.650 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477089 844202215 /nfs/dbraw/zinc/20/22/15/844202215.db2.gz BZSPCPGYJWUKFW-GJYPPUQNSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065574077 836843839 /nfs/dbraw/zinc/84/38/39/836843839.db2.gz ABNWIJKKJJLRCP-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982855 844359905 /nfs/dbraw/zinc/35/99/05/844359905.db2.gz NVYYOHZEXIMFCX-QBPKDAKJSA-N 2 0 352.523 0.783 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975814 844356326 /nfs/dbraw/zinc/35/63/26/844356326.db2.gz CPLRRBYTBXDAOI-DJIMGWMZSA-N 2 0 350.507 0.537 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001077091002 838725246 /nfs/dbraw/zinc/72/52/46/838725246.db2.gz IRSFNEDRUVAGST-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219272 838822411 /nfs/dbraw/zinc/82/24/11/838822411.db2.gz NQJCAQXJDWTGRK-IAGOWNOFSA-N 2 0 351.491 0.593 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077280902 838871993 /nfs/dbraw/zinc/87/19/93/838871993.db2.gz PHCHTEPWDKYVSL-FGTMMUONSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001077507355 839003486 /nfs/dbraw/zinc/00/34/86/839003486.db2.gz FXLWNYRPZKUWTJ-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048429 844396453 /nfs/dbraw/zinc/39/64/53/844396453.db2.gz AYMSRHUUQONAJA-BMFZPTHFSA-N 2 0 359.536 0.445 20 0 FCADRP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051807 844397113 /nfs/dbraw/zinc/39/71/13/844397113.db2.gz NXGAMXRGIIULLI-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077779217 839153484 /nfs/dbraw/zinc/15/34/84/839153484.db2.gz GTGWGEZTTRVDQC-GVDBMIGSSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1)OC ZINC001077979022 839266190 /nfs/dbraw/zinc/26/61/90/839266190.db2.gz XAOWWLXYVPEJNI-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP COCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171417 844434237 /nfs/dbraw/zinc/43/42/37/844434237.db2.gz WXTLQVYOYARWPI-LDBBTLTOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102188541 844438669 /nfs/dbraw/zinc/43/86/69/844438669.db2.gz AGVNQLDQOCDMTQ-KBAYOESNSA-N 2 0 353.507 0.554 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215289 844446802 /nfs/dbraw/zinc/44/68/02/844446802.db2.gz ORDJZCWYFJWHEC-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949064 839628482 /nfs/dbraw/zinc/62/84/82/839628482.db2.gz NGHXRBIBCXKRJC-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288728 844458825 /nfs/dbraw/zinc/45/88/25/844458825.db2.gz RVHHTJLTLSJDPQ-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102290709 844459368 /nfs/dbraw/zinc/45/93/68/844459368.db2.gz RSJXZRYIYZXKOT-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294065 844459640 /nfs/dbraw/zinc/45/96/40/844459640.db2.gz GKFHQOFWFHXLMI-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102292712 844459702 /nfs/dbraw/zinc/45/97/02/844459702.db2.gz ZJTBPAMNBZDWJX-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080383514 839715509 /nfs/dbraw/zinc/71/55/09/839715509.db2.gz IJGQRVXTFQRJLL-CZUORRHYSA-N 2 0 366.531 0.997 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320575 844466295 /nfs/dbraw/zinc/46/62/95/844466295.db2.gz IWXWXDSIJVIOMK-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102368231 844476127 /nfs/dbraw/zinc/47/61/27/844476127.db2.gz LYRGCYZNDZHPFM-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370370 844478202 /nfs/dbraw/zinc/47/82/02/844478202.db2.gz YJUOXRDJEHMGBX-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C)[NH+](C)C ZINC001102377756 844480727 /nfs/dbraw/zinc/48/07/27/844480727.db2.gz FWMNTRWKKNEHBW-XYPHTWIQSA-N 2 0 350.511 0.919 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430324 844496849 /nfs/dbraw/zinc/49/68/49/844496849.db2.gz MQZYCJHAAIOJRY-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433982 844496924 /nfs/dbraw/zinc/49/69/24/844496924.db2.gz JMPYDZAWCBJTTQ-HLLBOEOZSA-N 2 0 352.523 0.879 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893524 840090190 /nfs/dbraw/zinc/09/01/90/840090190.db2.gz VDFILABFARAYRH-GVDBMIGSSA-N 2 0 351.491 0.857 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102473693 844516360 /nfs/dbraw/zinc/51/63/60/844516360.db2.gz LBLOOEFOBPIBTB-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082222162 840247185 /nfs/dbraw/zinc/24/71/85/840247185.db2.gz JQDITAHSAGZYKG-FVQBIDKESA-N 2 0 355.458 0.622 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328807 840313768 /nfs/dbraw/zinc/31/37/68/840313768.db2.gz MMIXNBLDHWQLBD-GVDBMIGSSA-N 2 0 351.491 0.714 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559812 840465500 /nfs/dbraw/zinc/46/55/00/840465500.db2.gz PVMLUHSQHQFYQJ-DAXOMENPSA-N 2 0 366.531 0.995 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082561859 840466657 /nfs/dbraw/zinc/46/66/57/840466657.db2.gz WRSGBNWUQQAEEE-UKRRQHHQSA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082592159 840480352 /nfs/dbraw/zinc/48/03/52/840480352.db2.gz QEJDGZABVREQTE-BRWVUGGUSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001082592160 840480756 /nfs/dbraw/zinc/48/07/56/840480756.db2.gz QEJDGZABVREQTE-IXDOHACOSA-N 2 0 353.507 0.818 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514027 844545622 /nfs/dbraw/zinc/54/56/22/844545622.db2.gz JTNXLQMIELVIDF-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001082828138 840575638 /nfs/dbraw/zinc/57/56/38/840575638.db2.gz UQAKPWYAFKBOEK-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525239 844553911 /nfs/dbraw/zinc/55/39/11/844553911.db2.gz SAWPLCDYIGRAND-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525324 844553921 /nfs/dbraw/zinc/55/39/21/844553921.db2.gz WRNAYYZXGHCCSB-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001082921811 840603324 /nfs/dbraw/zinc/60/33/24/840603324.db2.gz LOSRBJRVVRXIPY-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923647 840604807 /nfs/dbraw/zinc/60/48/07/840604807.db2.gz VPHDOKMQDCBOLV-CKEIUWERSA-N 2 0 350.463 0.888 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105931 840716245 /nfs/dbraw/zinc/71/62/45/840716245.db2.gz ASRIPUBPAAAWBY-RYQLBKOJSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102577856 844571243 /nfs/dbraw/zinc/57/12/43/844571243.db2.gz ABNWIAITXFPHJE-BZUAXINKSA-N 2 0 371.547 0.447 20 0 FCADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579250 844572770 /nfs/dbraw/zinc/57/27/70/844572770.db2.gz PEZRSQDQFLLJBU-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102578933 844573663 /nfs/dbraw/zinc/57/36/63/844573663.db2.gz AABDAPZUTIUAJE-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596309 844587663 /nfs/dbraw/zinc/58/76/63/844587663.db2.gz YQIRNEJURZWKLP-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600616 844591985 /nfs/dbraw/zinc/59/19/85/844591985.db2.gz MYGPDVCOWXFYGP-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083463067 841032630 /nfs/dbraw/zinc/03/26/30/841032630.db2.gz OLQFAXGKALUCEH-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2O)n1 ZINC001083470452 841042671 /nfs/dbraw/zinc/04/26/71/841042671.db2.gz SURASMBZSHQBON-CVEARBPZSA-N 2 0 351.495 0.656 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1COC(C)(C)O1)C2 ZINC001275812756 861203867 /nfs/dbraw/zinc/20/38/67/861203867.db2.gz HZDODYZSGCYHMC-MAUKXSAKSA-N 2 0 355.479 0.250 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083832923 841477545 /nfs/dbraw/zinc/47/75/45/841477545.db2.gz AOMIUOHHPSAAEZ-KSZLIROESA-N 2 0 353.507 0.839 20 0 FCADRP CN(C)CC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275845541 861225518 /nfs/dbraw/zinc/22/55/18/861225518.db2.gz YGCJUEYRPUNROC-LJQANCHMSA-N 2 0 351.539 0.110 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN([C@@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877805 861239823 /nfs/dbraw/zinc/23/98/23/861239823.db2.gz GEMDJTVFZLFJKE-HNAYVOBHSA-N 2 0 351.491 0.999 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275879336 861243002 /nfs/dbraw/zinc/24/30/02/861243002.db2.gz NHHSTAZBDFBCSL-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP CC[C@H](C(N)=O)N1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275878811 861244565 /nfs/dbraw/zinc/24/45/65/861244565.db2.gz LTMZDVNFGKJZQJ-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085332390 842079521 /nfs/dbraw/zinc/07/95/21/842079521.db2.gz VZRBTROYSWKTRM-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001086090881 842119623 /nfs/dbraw/zinc/11/96/23/842119623.db2.gz VXCPZICLUMGJNM-OVYGPGRDSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001086371448 842128748 /nfs/dbraw/zinc/12/87/48/842128748.db2.gz ISYNXBSIHQYWFU-MWQQHZPXSA-N 2 0 371.547 0.636 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001086793691 842174983 /nfs/dbraw/zinc/17/49/83/842174983.db2.gz HDIAZPGNNKQJCX-UAGQMJEPSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001086850028 842183385 /nfs/dbraw/zinc/18/33/85/842183385.db2.gz MSXMRNUOOKZCGG-JLJPHGGASA-N 2 0 350.507 0.857 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087084651 842277466 /nfs/dbraw/zinc/27/74/66/842277466.db2.gz MNBJOZGAMFJDCU-QLFBSQMISA-N 2 0 352.483 0.108 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087208164 842319182 /nfs/dbraw/zinc/31/91/82/842319182.db2.gz QGCSBJWPNUYIHA-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087726512 842416207 /nfs/dbraw/zinc/41/62/07/842416207.db2.gz IUWKNALJLGFCKZ-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001088317829 842568660 /nfs/dbraw/zinc/56/86/60/842568660.db2.gz PLIQJZYBPPHKJY-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CSc1ncc(CN2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276205697 861353394 /nfs/dbraw/zinc/35/33/94/861353394.db2.gz ZHUSZLCFQXFOQI-QGZVFWFLSA-N 2 0 365.503 0.563 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667438 843065507 /nfs/dbraw/zinc/06/55/07/843065507.db2.gz UAWXJIIQUPICKZ-GJYPPUQNSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071906 843153095 /nfs/dbraw/zinc/15/30/95/843153095.db2.gz JJACOLPCVWALPB-GJYPPUQNSA-N 2 0 350.507 0.763 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130981 843164311 /nfs/dbraw/zinc/16/43/11/843164311.db2.gz LJRYJADXSINDRS-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504697 843222605 /nfs/dbraw/zinc/22/26/05/843222605.db2.gz WQZKJOIXZYMFAO-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP COCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675625 843274706 /nfs/dbraw/zinc/27/47/06/843274706.db2.gz KERFIXVQANVVSS-NUJGCVRESA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001092676153 843275545 /nfs/dbraw/zinc/27/55/45/843275545.db2.gz SMQGXOKABXQKMC-JFIYKMOQSA-N 2 0 353.507 0.696 20 0 FCADRP COCCC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276316147 861409058 /nfs/dbraw/zinc/40/90/58/861409058.db2.gz RSFHTZNOWAKUBW-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919287 843341524 /nfs/dbraw/zinc/34/15/24/843341524.db2.gz IRSHNRTZUQDODG-VNHYZAJKSA-N 2 0 350.463 0.773 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001276309347 861405679 /nfs/dbraw/zinc/40/56/79/861405679.db2.gz WLQNBYQFRZWTKW-RCCFBDPRSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931232 843347488 /nfs/dbraw/zinc/34/74/88/843347488.db2.gz INPLAYCKQMNXKI-GDBMZVCRSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937105 843348344 /nfs/dbraw/zinc/34/83/44/843348344.db2.gz OLYBJQWXPPZAQD-HLLBOEOZSA-N 2 0 371.547 0.447 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276315393 861408839 /nfs/dbraw/zinc/40/88/39/861408839.db2.gz JMOYZZAYIRYMOE-QZTJIDSGSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093277617 843419970 /nfs/dbraw/zinc/41/99/70/843419970.db2.gz JFDWXIYMFREWIS-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276326250 861418726 /nfs/dbraw/zinc/41/87/26/861418726.db2.gz NRTQQFHISICCAU-HNAYVOBHSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001094137357 843521360 /nfs/dbraw/zinc/52/13/60/843521360.db2.gz NBXLDSGIXABJLJ-ZIAGYGMSSA-N 2 0 367.519 0.833 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094430217 843552790 /nfs/dbraw/zinc/55/27/90/843552790.db2.gz HTDHGGHEMSEHDQ-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)CC1 ZINC001094552114 843560953 /nfs/dbraw/zinc/56/09/53/843560953.db2.gz ZDQXCOFVFILACX-VQIMIIECSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094737726 843697184 /nfs/dbraw/zinc/69/71/84/843697184.db2.gz AFZFGPJSXJGLMO-BFYDXBDKSA-N 2 0 350.507 0.774 20 0 FCADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531430 843736135 /nfs/dbraw/zinc/73/61/35/843736135.db2.gz DTCMBLISESLOCF-VSZNYVQBSA-N 2 0 351.491 0.998 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)CC[N@@H+]1C ZINC001098996546 843954244 /nfs/dbraw/zinc/95/42/44/843954244.db2.gz PIHNOSZUVIUVMZ-FPXQBCRKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103398 844701727 /nfs/dbraw/zinc/70/17/27/844701727.db2.gz HCJDOFMLLGCBRM-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103136456 844705474 /nfs/dbraw/zinc/70/54/74/844705474.db2.gz DJUVPDMCNVPBGF-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373418 844744482 /nfs/dbraw/zinc/74/44/82/844744482.db2.gz QEFOEXRGAXQBCS-MGPQQGTHSA-N 2 0 350.463 0.903 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380182 844745473 /nfs/dbraw/zinc/74/54/73/844745473.db2.gz IMEJWGOHQWUNFS-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103396005 844750555 /nfs/dbraw/zinc/75/05/55/844750555.db2.gz YGCDWDXOLSTXNE-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398537 844750688 /nfs/dbraw/zinc/75/06/88/844750688.db2.gz XJBUVOLFMXONTC-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001103444024 844760342 /nfs/dbraw/zinc/76/03/42/844760342.db2.gz XGDADOHWURZXJL-OIISXLGYSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497723 844768213 /nfs/dbraw/zinc/76/82/13/844768213.db2.gz VIQOTCPQBVPLDT-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497722 844768297 /nfs/dbraw/zinc/76/82/97/844768297.db2.gz VIQOTCPQBVPLDT-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)CCCN1CC[C@]2(C1)CN(C[C@@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609121 861495736 /nfs/dbraw/zinc/49/57/36/861495736.db2.gz HDKLEUAJMXSXLL-QAPCUYQASA-N 2 0 355.479 0.393 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722474 844806972 /nfs/dbraw/zinc/80/69/72/844806972.db2.gz OQODCSLBUKNJAR-IXDOHACOSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721189 844807706 /nfs/dbraw/zinc/80/77/06/844807706.db2.gz HCWKSBXTTRULIL-BZUAXINKSA-N 2 0 351.495 0.038 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103755421 844816706 /nfs/dbraw/zinc/81/67/06/844816706.db2.gz GNEHMJZHVGENFL-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103754581 844816745 /nfs/dbraw/zinc/81/67/45/844816745.db2.gz LWJMIRCWTBRJBA-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629931 861505674 /nfs/dbraw/zinc/50/56/74/861505674.db2.gz FJFRDGYZHYONBP-VQIMIIECSA-N 2 0 350.507 0.668 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104202505 844876648 /nfs/dbraw/zinc/87/66/48/844876648.db2.gz DDHYOMFAEHJSTK-OIISXLGYSA-N 2 0 350.507 0.491 20 0 FCADRP CC[C@@H](C)N1C[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630413 861507603 /nfs/dbraw/zinc/50/76/03/861507603.db2.gz TYPCVGFWDWPXLT-IEBWSBKVSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104257935 844884202 /nfs/dbraw/zinc/88/42/02/844884202.db2.gz JXJKLBJEPLAEFD-CHWSQXEVSA-N 2 0 352.504 0.983 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104294463 844891634 /nfs/dbraw/zinc/89/16/34/844891634.db2.gz QQWNNKVMNVFOFX-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104353793 844896986 /nfs/dbraw/zinc/89/69/86/844896986.db2.gz IFXRZYLGOBLTQB-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001104594617 844923053 /nfs/dbraw/zinc/92/30/53/844923053.db2.gz BEQOEWTVPSGHRH-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104589272 844923232 /nfs/dbraw/zinc/92/32/32/844923232.db2.gz WBTVKAMZZBVEFM-LTIDMASMSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104599361 844923760 /nfs/dbraw/zinc/92/37/60/844923760.db2.gz ALCUHATZWUDFCD-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001104622423 844928118 /nfs/dbraw/zinc/92/81/18/844928118.db2.gz WKABMDALVFNBCN-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001104623908 844928141 /nfs/dbraw/zinc/92/81/41/844928141.db2.gz JKLGQHFIMINSFZ-BFYDXBDKSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001104641383 844928801 /nfs/dbraw/zinc/92/88/01/844928801.db2.gz OZQGKPFFYQMILD-IIDMSEBBSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1)[NH+](C)C ZINC001104641190 844928884 /nfs/dbraw/zinc/92/88/84/844928884.db2.gz DVSWWVHAEIMOPB-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1)[NH+](C)C ZINC001104691665 844933586 /nfs/dbraw/zinc/93/35/86/844933586.db2.gz QQAWZROZBPACFB-OAGGEKHMSA-N 2 0 361.552 0.836 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104755328 844939020 /nfs/dbraw/zinc/93/90/20/844939020.db2.gz VFWXHISPGNUZKK-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908183 844958331 /nfs/dbraw/zinc/95/83/31/844958331.db2.gz MNNCEVRPSFZKGW-HZPDHXFCSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104908500 844958363 /nfs/dbraw/zinc/95/83/63/844958363.db2.gz ZJNMDVAVGGJGBW-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908095 844958629 /nfs/dbraw/zinc/95/86/29/844958629.db2.gz JBCXHFZNRYZLSI-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104912422 844959618 /nfs/dbraw/zinc/95/96/18/844959618.db2.gz SNSBGOFALYEGGQ-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)N(C)C ZINC001104912616 844959696 /nfs/dbraw/zinc/95/96/96/844959696.db2.gz WNZDEHLOPGMUJQ-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104938341 844961398 /nfs/dbraw/zinc/96/13/98/844961398.db2.gz UQURKDACHOLCOF-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001105067145 844976883 /nfs/dbraw/zinc/97/68/83/844976883.db2.gz OUUDIRBXBQRTDH-HZPDHXFCSA-N 2 0 361.552 0.836 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105642925 845007332 /nfs/dbraw/zinc/00/73/32/845007332.db2.gz OUOACZCGARFBQY-OAFZBRQQSA-N 2 0 355.523 0.675 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105659759 845011178 /nfs/dbraw/zinc/01/11/78/845011178.db2.gz PXENEQPUPQURCI-ZAWLATJESA-N 2 0 355.523 0.677 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667278 845013634 /nfs/dbraw/zinc/01/36/34/845013634.db2.gz AFOFIIBBCBKPJK-RWQQGDIJSA-N 2 0 355.523 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105941566 845063570 /nfs/dbraw/zinc/06/35/70/845063570.db2.gz BWRSNAPGJAZPQK-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106198834 845129381 /nfs/dbraw/zinc/12/93/81/845129381.db2.gz POAMDTSVSWLTQN-OAGGEKHMSA-N 2 0 358.502 0.875 20 0 FCADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001106246546 845142059 /nfs/dbraw/zinc/14/20/59/845142059.db2.gz NZVOBUSSLGKPGI-NUJGCVRESA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106249420 845143182 /nfs/dbraw/zinc/14/31/82/845143182.db2.gz GVBBDWNWVRBOME-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106249536 845143304 /nfs/dbraw/zinc/14/33/04/845143304.db2.gz JUGJBRQFURXXFB-SIIHOXLZSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106254982 845144243 /nfs/dbraw/zinc/14/42/43/845144243.db2.gz DNDLKHABXLWGHF-HUUCEWRRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106340175 845159140 /nfs/dbraw/zinc/15/91/40/845159140.db2.gz NXSKIDWZJBYHDF-MGPQQGTHSA-N 2 0 351.499 0.686 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106339953 845159484 /nfs/dbraw/zinc/15/94/84/845159484.db2.gz GYGMOMVLBAWPLL-MCIONIFRSA-N 2 0 352.479 0.206 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106483439 845181885 /nfs/dbraw/zinc/18/18/85/845181885.db2.gz XVGJNUNEMZDSHD-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588044 845201757 /nfs/dbraw/zinc/20/17/57/845201757.db2.gz BPDFKTHFSOMNGC-UKRRQHHQSA-N 2 0 350.463 0.775 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106598277 845202656 /nfs/dbraw/zinc/20/26/56/845202656.db2.gz YWRGHVSIPWOCGA-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592888 845203039 /nfs/dbraw/zinc/20/30/39/845203039.db2.gz XXMSTVAMIGXXRP-HZPDHXFCSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106621569 845206674 /nfs/dbraw/zinc/20/66/74/845206674.db2.gz RGKNWKDMUZYKSO-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106621433 845207244 /nfs/dbraw/zinc/20/72/44/845207244.db2.gz KNKAOSDGRXEQKV-GDBMZVCRSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106728988 845235843 /nfs/dbraw/zinc/23/58/43/845235843.db2.gz BWUDYNROZGNMSU-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106840400 845265222 /nfs/dbraw/zinc/26/52/22/845265222.db2.gz KZRSSZGNIJXDQL-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877971 845277260 /nfs/dbraw/zinc/27/72/60/845277260.db2.gz DRWXLZJRTUMIOY-HUUCEWRRSA-N 2 0 352.483 0.060 20 0 FCADRP Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106880617 845277536 /nfs/dbraw/zinc/27/75/36/845277536.db2.gz LYUBVFAOOYDTLL-VNHYZAJKSA-N 2 0 352.483 0.436 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1csnn1 ZINC001106880234 845277561 /nfs/dbraw/zinc/27/75/61/845277561.db2.gz FFCUUXRYSPDMMF-MGPQQGTHSA-N 2 0 355.508 0.861 20 0 FCADRP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001106881056 845277581 /nfs/dbraw/zinc/27/75/81/845277581.db2.gz SZEVFDUQMCZUQR-HUUCEWRRSA-N 2 0 352.483 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCO[C@H]1CC1(F)F ZINC001106881202 845278228 /nfs/dbraw/zinc/27/82/28/845278228.db2.gz YWWLAJVMTNCPMN-KFWWJZLASA-N 2 0 363.449 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106884473 845278699 /nfs/dbraw/zinc/27/86/99/845278699.db2.gz GMCWSYMAZAHJMQ-HUUCEWRRSA-N 2 0 357.520 0.201 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981422 845300305 /nfs/dbraw/zinc/30/03/05/845300305.db2.gz MYNOTCGSHJXHNH-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106998696 845307467 /nfs/dbraw/zinc/30/74/67/845307467.db2.gz XLIDOSKRXSZPDT-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP COC[C@H](C(=O)OC)[N@@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727743 861558036 /nfs/dbraw/zinc/55/80/36/861558036.db2.gz SJUJMTOTSHOZAK-RHSMWYFYSA-N 2 0 350.419 0.033 20 0 FCADRP COC(C)(C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276727493 861558151 /nfs/dbraw/zinc/55/81/51/861558151.db2.gz FWMUHOZUBUUBRT-SFHVURJKSA-N 2 0 350.463 0.896 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521019 845389835 /nfs/dbraw/zinc/38/98/35/845389835.db2.gz HNIOFACNGOBBEA-JFIYKMOQSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N(C)C)CC2 ZINC001107546880 845395879 /nfs/dbraw/zinc/39/58/79/845395879.db2.gz RZAALWBTCURDEZ-GPMSIDNRSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001109932521 845761903 /nfs/dbraw/zinc/76/19/03/845761903.db2.gz LDGNCQYMBKUVAA-PMPSAXMXSA-N 2 0 374.551 0.379 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159230 845807692 /nfs/dbraw/zinc/80/76/92/845807692.db2.gz FRGKNGNTVJPYGC-IKGGRYGDSA-N 2 0 354.495 0.201 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001110161467 845808774 /nfs/dbraw/zinc/80/87/74/845808774.db2.gz GQNGUYKNJFSUKP-VSZNYVQBSA-N 2 0 353.507 0.837 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159796 845808942 /nfs/dbraw/zinc/80/89/42/845808942.db2.gz WZUHUZRQUTVVAA-QZWWFDLISA-N 2 0 357.495 0.072 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)COC(C)(C)C)CC2 ZINC001276801295 861616231 /nfs/dbraw/zinc/61/62/31/861616231.db2.gz YSRFELZEMRKSSO-JKSUJKDBSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276819311 861629563 /nfs/dbraw/zinc/62/95/63/861629563.db2.gz SXMGSLOWHCYXHA-RBSFLKMASA-N 2 0 355.479 0.316 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001111171563 846053162 /nfs/dbraw/zinc/05/31/62/846053162.db2.gz JKEIPCMPXNWULC-TWMKSMIVSA-N 2 0 357.495 0.074 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111467355 846118311 /nfs/dbraw/zinc/11/83/11/846118311.db2.gz GQNGUYKNJFSUKP-ZJPYXAASSA-N 2 0 353.507 0.837 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782669 846204722 /nfs/dbraw/zinc/20/47/22/846204722.db2.gz SQWHGEIOKXJKRZ-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001111854857 846231424 /nfs/dbraw/zinc/23/14/24/846231424.db2.gz WGVVGWNYUBKWCB-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C2 ZINC001111862511 846235512 /nfs/dbraw/zinc/23/55/12/846235512.db2.gz QHQSJJLTFXNMIX-RYRKJORJSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC1 ZINC001111891407 846249147 /nfs/dbraw/zinc/24/91/47/846249147.db2.gz QLCLJUCVXAPAAZ-HKUYNNGSSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939633 846269076 /nfs/dbraw/zinc/26/90/76/846269076.db2.gz KJHTWSQFHYOGLN-VKJFTORMSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC001111939742 846269930 /nfs/dbraw/zinc/26/99/30/846269930.db2.gz PTGPKAQCXKZJTD-AOIWGVFYSA-N 2 0 353.507 0.962 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983998 846279904 /nfs/dbraw/zinc/27/99/04/846279904.db2.gz VAVJZMMIYSXYLV-DOXZYTNZSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001112004456 846290471 /nfs/dbraw/zinc/29/04/71/846290471.db2.gz CXKOUQOYURLXAJ-DOXZYTNZSA-N 2 0 350.507 0.964 20 0 FCADRP CCOCC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276874698 861662993 /nfs/dbraw/zinc/66/29/93/861662993.db2.gz OLNOGRYNUKMUJS-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP CCOC(=O)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276887960 861669820 /nfs/dbraw/zinc/66/98/20/861669820.db2.gz LDTZXJNUTVENOW-GOSISDBHSA-N 2 0 355.479 0.442 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001112159003 846425698 /nfs/dbraw/zinc/42/56/98/846425698.db2.gz KKDWPQRRAPFOQJ-CHWSQXEVSA-N 2 0 364.412 0.539 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112192993 846451559 /nfs/dbraw/zinc/45/15/59/846451559.db2.gz FCLAXKPGILLARO-JHJVBQTASA-N 2 0 365.396 0.068 20 0 FCADRP CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C(F)(F)F ZINC001112199491 846456910 /nfs/dbraw/zinc/45/69/10/846456910.db2.gz UNWMVTOPPKBITD-CKYFFXLPSA-N 2 0 361.368 0.374 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206647 846463719 /nfs/dbraw/zinc/46/37/19/846463719.db2.gz ZHJJGGIQKNQLGY-BFHYXJOUSA-N 2 0 367.412 0.580 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112396968 846500828 /nfs/dbraw/zinc/50/08/28/846500828.db2.gz MRAPDBVIGMWVGS-BXWFABGCSA-N 2 0 350.507 0.668 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428156 846503268 /nfs/dbraw/zinc/50/32/68/846503268.db2.gz COBUHIXSEPGETC-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530080 846516069 /nfs/dbraw/zinc/51/60/69/846516069.db2.gz CDHIPAOWLLVWON-KXBFYZLASA-N 2 0 350.507 0.683 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112557397 846523261 /nfs/dbraw/zinc/52/32/61/846523261.db2.gz DRSSEZWHJJDYDR-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112578649 846529023 /nfs/dbraw/zinc/52/90/23/846529023.db2.gz YQNMJAGVEFMTDR-ZOBUZTSGSA-N 2 0 357.520 0.201 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001112585873 846532089 /nfs/dbraw/zinc/53/20/89/846532089.db2.gz WNKYRXZRYGFHDB-WDYCEAGBSA-N 2 0 350.507 0.810 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114304197 846549789 /nfs/dbraw/zinc/54/97/89/846549789.db2.gz MKYGMIMGWCLVKI-ZNFSNMQZSA-N 2 0 350.507 0.630 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116952410 846817794 /nfs/dbraw/zinc/81/77/94/846817794.db2.gz GQPQVHLDOLONJN-VVLHAWIVSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001118100850 847278230 /nfs/dbraw/zinc/27/82/30/847278230.db2.gz ZLCSQZWQOSUATE-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCN(CCc3cccs3)CC2)C1 ZINC001119368034 847825165 /nfs/dbraw/zinc/82/51/65/847825165.db2.gz CQYKBLTYRCJBEU-OKILXGFUSA-N 2 0 350.488 0.288 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001119414321 847836567 /nfs/dbraw/zinc/83/65/67/847836567.db2.gz GIWHBENEGVMENX-UHFFFAOYSA-N 2 0 353.511 0.224 20 0 FCADRP CC1(C)CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001119423628 847840047 /nfs/dbraw/zinc/84/00/47/847840047.db2.gz AQNCGUNOQLQODF-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119483077 847858630 /nfs/dbraw/zinc/85/86/30/847858630.db2.gz NWVUWSIBTDXDNA-IAGOWNOFSA-N 2 0 353.511 0.306 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120499372 848222877 /nfs/dbraw/zinc/22/28/77/848222877.db2.gz AMECMVXRIZDPIS-QGZVFWFLSA-N 2 0 370.515 0.948 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001120554171 848240731 /nfs/dbraw/zinc/24/07/31/848240731.db2.gz GXGHPHQTUMCWEW-CABCVRRESA-N 2 0 351.495 0.357 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@H]1C ZINC001121362753 848344200 /nfs/dbraw/zinc/34/42/00/848344200.db2.gz QGWDSPBWAOAJMI-CABCVRRESA-N 2 0 350.511 0.906 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001121922769 848417777 /nfs/dbraw/zinc/41/77/77/848417777.db2.gz OQYGWADNYSSDOO-YOEHRIQHSA-N 2 0 354.495 0.093 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)C2)C1 ZINC001122126731 848451350 /nfs/dbraw/zinc/45/13/50/848451350.db2.gz PQIVDKIGTLZSPV-IIAWOOMASA-N 2 0 350.463 0.630 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)C2)C1 ZINC001122126733 848451954 /nfs/dbraw/zinc/45/19/54/848451954.db2.gz PQIVDKIGTLZSPV-SQWLQELKSA-N 2 0 350.463 0.630 20 0 FCADRP CC[NH+]1CC[C@@H](CNC(=O)/C(C)=C\C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC001123506155 848598833 /nfs/dbraw/zinc/59/88/33/848598833.db2.gz VSFFZTKGAKNNQP-KNUIFBHBSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790440 848637932 /nfs/dbraw/zinc/63/79/32/848637932.db2.gz ZECQLJXZNUKZTI-WMZOPIPTSA-N 2 0 351.539 0.996 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001127570979 848726003 /nfs/dbraw/zinc/72/60/03/848726003.db2.gz IVORQSPYVGVPRY-NXHRZFHOSA-N 2 0 353.507 0.866 20 0 FCADRP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)on1 ZINC001127571472 848727231 /nfs/dbraw/zinc/72/72/31/848727231.db2.gz SLWPFSZKICSXMA-SJORKVTESA-N 2 0 350.463 0.936 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652902 848731873 /nfs/dbraw/zinc/73/18/73/848731873.db2.gz GXAIGVDCWPTDQK-SQWLQELKSA-N 2 0 366.531 0.841 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001127706535 848733166 /nfs/dbraw/zinc/73/31/66/848733166.db2.gz MJBNANWYRREBKK-MELADBBJSA-N 2 0 355.483 0.045 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685443 848881468 /nfs/dbraw/zinc/88/14/68/848881468.db2.gz RTBRHZWWWLDCGA-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129899587 848910637 /nfs/dbraw/zinc/91/06/37/848910637.db2.gz AHACRGDWYHDSRR-PMPSAXMXSA-N 2 0 352.483 0.242 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899944 848910729 /nfs/dbraw/zinc/91/07/29/848910729.db2.gz SUDPQOVYNLPQFV-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129899748 848910778 /nfs/dbraw/zinc/91/07/78/848910778.db2.gz KGIZAXZGKVQERL-PMPSAXMXSA-N 2 0 352.483 0.242 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129899998 848911887 /nfs/dbraw/zinc/91/18/87/848911887.db2.gz WIGGUVULOJQWAP-XHSDSOJGSA-N 2 0 352.458 0.854 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129980696 848925408 /nfs/dbraw/zinc/92/54/08/848925408.db2.gz USXWVYNOHIHWBP-JONQDZQNSA-N 2 0 352.458 0.710 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984945 848926343 /nfs/dbraw/zinc/92/63/43/848926343.db2.gz KNZSOMKLCXJACD-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129992156 848927846 /nfs/dbraw/zinc/92/78/46/848927846.db2.gz NPJSMXIHMOEURF-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130005839 848929427 /nfs/dbraw/zinc/92/94/27/848929427.db2.gz IZDSVDQLHYSTCR-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130006133 848929708 /nfs/dbraw/zinc/92/97/08/848929708.db2.gz UQEQLAIYWPDZDW-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130009344 848931008 /nfs/dbraw/zinc/93/10/08/848931008.db2.gz KMAPQJJTQWOQGZ-PMPSAXMXSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1)OC ZINC001130047571 848936534 /nfs/dbraw/zinc/93/65/34/848936534.db2.gz IBSDPQLMEFWJJW-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130123430 848947399 /nfs/dbraw/zinc/94/73/99/848947399.db2.gz QSODMWYXOMEHNE-XHSDSOJGSA-N 2 0 352.458 0.711 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130132920 848950611 /nfs/dbraw/zinc/95/06/11/848950611.db2.gz WMTUFUOIESNQRL-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130615685 849019828 /nfs/dbraw/zinc/01/98/28/849019828.db2.gz XDGTWMIFZSYZOB-USXIJHARSA-N 2 0 351.495 0.681 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001130662062 849024620 /nfs/dbraw/zinc/02/46/20/849024620.db2.gz IYSKPGZFIMIOAO-USXIJHARSA-N 2 0 351.495 0.273 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737003 849030965 /nfs/dbraw/zinc/03/09/65/849030965.db2.gz UELMHYSFBNEIJB-HLLBOEOZSA-N 2 0 351.495 0.679 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817197 849048044 /nfs/dbraw/zinc/04/80/44/849048044.db2.gz FHVCUQBJHVOXHJ-MELADBBJSA-N 2 0 350.467 0.592 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061483 849075767 /nfs/dbraw/zinc/07/57/67/849075767.db2.gz FSVNBZCWBCITII-ARFHVFGLSA-N 2 0 351.495 0.417 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131060134 849075932 /nfs/dbraw/zinc/07/59/32/849075932.db2.gz WCINCYWBTBPCOC-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)OC ZINC001131061835 849076076 /nfs/dbraw/zinc/07/60/76/849076076.db2.gz NQXUDBMKWQQHMF-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cncs1 ZINC001131068280 849077086 /nfs/dbraw/zinc/07/70/86/849077086.db2.gz XABNSEBNAYUFEL-HUUCEWRRSA-N 2 0 362.503 0.913 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1)[NH+](C)C ZINC001131072252 849077121 /nfs/dbraw/zinc/07/71/21/849077121.db2.gz PUCBIZWXYXQFEY-OAGGEKHMSA-N 2 0 351.495 0.681 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130345 849082074 /nfs/dbraw/zinc/08/20/74/849082074.db2.gz HQCJIAANLLLOKC-ARFHVFGLSA-N 2 0 351.495 0.679 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131132406 849082892 /nfs/dbraw/zinc/08/28/92/849082892.db2.gz JOFDQFZVGXEGGL-ARFHVFGLSA-N 2 0 351.495 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)CC[N@@H+]1C ZINC001131499996 849113968 /nfs/dbraw/zinc/11/39/68/849113968.db2.gz DCDCDVQYTIZUFD-DDBAPUKQSA-N 2 0 353.507 0.695 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564350 849123429 /nfs/dbraw/zinc/12/34/29/849123429.db2.gz IPSZBOAKYKQUSE-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277695615 862000330 /nfs/dbraw/zinc/00/03/30/862000330.db2.gz QEMAJYJAQAXHOL-BXUZGUMPSA-N 2 0 351.369 0.312 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)CN(C)C(N)=[NH2+])c1ccc(Cl)cc1 ZINC001144148999 849510698 /nfs/dbraw/zinc/51/06/98/849510698.db2.gz AHNJTKICASTRAT-AWEZNQCLSA-N 2 0 355.870 0.901 20 0 FCADRP CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2ccnc2)CC1 ZINC001277718569 862029282 /nfs/dbraw/zinc/02/92/82/862029282.db2.gz GSHNXIUSWVJNLK-CVEARBPZSA-N 2 0 350.463 0.499 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCOCCOC)C3)CC[N@@H+]1C ZINC001147583533 849586730 /nfs/dbraw/zinc/58/67/30/849586730.db2.gz UCGPJKJJUYSWNH-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001152144030 849706009 /nfs/dbraw/zinc/70/60/09/849706009.db2.gz RCRBTZUSIIJLHM-QGZVFWFLSA-N 2 0 353.507 0.793 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)O)CC1 ZINC001277761159 862056127 /nfs/dbraw/zinc/05/61/27/862056127.db2.gz JKPSQBIVVPLLTQ-IAGOWNOFSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001154692773 849808367 /nfs/dbraw/zinc/80/83/67/849808367.db2.gz DBSVSFHYXKSSOR-BZSNNMDCSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155021167 849825416 /nfs/dbraw/zinc/82/54/16/849825416.db2.gz VBIWYILKGKJNDK-OLZOCXBDSA-N 2 0 367.519 0.616 20 0 FCADRP CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@]1(C)CCC[NH2+]C1 ZINC001156948793 849933928 /nfs/dbraw/zinc/93/39/28/849933928.db2.gz WEEWBRPMUIQCIH-INIZCTEOSA-N 2 0 353.492 0.147 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2ccccc2F)CC1 ZINC001157449145 849973665 /nfs/dbraw/zinc/97/36/65/849973665.db2.gz TXRPJXADNVLEHR-OAHLLOKOSA-N 2 0 351.422 0.969 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC001157716182 849988339 /nfs/dbraw/zinc/98/83/39/849988339.db2.gz MJGWUPNGUQMLLT-ONGXEEELSA-N 2 0 362.293 0.827 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157753716 849991008 /nfs/dbraw/zinc/99/10/08/849991008.db2.gz FMNXOFDLTUIVQM-YJBOKZPZSA-N 2 0 350.438 0.352 20 0 FCADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102210 850018068 /nfs/dbraw/zinc/01/80/68/850018068.db2.gz PFMRQLOVTBJWQH-YOEHRIQHSA-N 2 0 350.850 0.161 20 0 FCADRP Cc1ccc(CSC[C@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158102653 850018262 /nfs/dbraw/zinc/01/82/62/850018262.db2.gz UVWRMOQIPGAODL-MAUKXSAKSA-N 2 0 362.499 0.246 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250509 850029677 /nfs/dbraw/zinc/02/96/77/850029677.db2.gz UMJRBQYACGLWMD-JOMGAKPTSA-N 2 0 355.426 0.758 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001158379488 850041487 /nfs/dbraw/zinc/04/14/87/850041487.db2.gz AQSIFDXLZLOCSB-NVXWUHKLSA-N 2 0 367.515 0.896 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001158379979 850041660 /nfs/dbraw/zinc/04/16/60/850041660.db2.gz IYEVTGJOZUZDHK-UPJWGTAASA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001158380039 850041703 /nfs/dbraw/zinc/04/17/03/850041703.db2.gz KQUBPXPTYJAANO-FRRDWIJNSA-N 2 0 355.401 0.362 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380892 850042517 /nfs/dbraw/zinc/04/25/17/850042517.db2.gz WHKGVQWQXVYCQZ-HZPDHXFCSA-N 2 0 356.511 0.354 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])C(C)(C)C)C2 ZINC001158386660 850044199 /nfs/dbraw/zinc/04/41/99/850044199.db2.gz ZWRHKSXLXPAJOW-LKTVYLICSA-N 2 0 365.396 0.903 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nnc(C)s2)CC[N@@H+]1C ZINC001158403336 850046177 /nfs/dbraw/zinc/04/61/77/850046177.db2.gz FTEPXMWBYNMOBC-QWHCGFSZSA-N 2 0 368.507 0.611 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001158404818 850047565 /nfs/dbraw/zinc/04/75/65/850047565.db2.gz ZJRDLSUWPDSDQK-OWCLPIDISA-N 2 0 359.536 0.637 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001158499034 850058240 /nfs/dbraw/zinc/05/82/40/850058240.db2.gz UPJARRGWVALNDK-AIEDFZFUSA-N 2 0 353.463 0.284 20 0 FCADRP C[NH+]1CCC(N(c2ncc(Cl)nc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158580267 850062250 /nfs/dbraw/zinc/06/22/50/850062250.db2.gz ACNVWJKRUYTTMH-UHFFFAOYSA-N 2 0 352.870 0.882 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001158637481 850062813 /nfs/dbraw/zinc/06/28/13/850062813.db2.gz PDWDIFHOZYSNCU-WBMJQRKESA-N 2 0 351.838 0.507 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1ccsc1)CC2 ZINC001158891213 850083634 /nfs/dbraw/zinc/08/36/34/850083634.db2.gz XAFLWIIDGCBLIR-HNNXBMFYSA-N 2 0 364.515 0.821 20 0 FCADRP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793991 862096915 /nfs/dbraw/zinc/09/69/15/862096915.db2.gz BXWNZBLBXWCAFX-YJBOKZPZSA-N 2 0 355.479 0.175 20 0 FCADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC3)cs1 ZINC001158976596 850089552 /nfs/dbraw/zinc/08/95/52/850089552.db2.gz KOUGKKOHVHRUNS-HOTGVXAUSA-N 2 0 364.515 0.989 20 0 FCADRP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160566 850098347 /nfs/dbraw/zinc/09/83/47/850098347.db2.gz LMEBJNOFSCOCNU-DOXZYTNZSA-N 2 0 350.507 0.476 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CC[C@@H]4[NH3+])C3)O2)CC1 ZINC001159756831 850133202 /nfs/dbraw/zinc/13/32/02/850133202.db2.gz GCWDSVUZHJXWSK-VUHPKUFZSA-N 2 0 350.507 0.511 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834270 850139395 /nfs/dbraw/zinc/13/93/95/850139395.db2.gz UODOINIOFYUXRN-GOEBONIOSA-N 2 0 363.531 0.908 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159904443 850143741 /nfs/dbraw/zinc/14/37/41/850143741.db2.gz BGQDLOUDAAVIFU-VYDXJSESSA-N 2 0 366.487 0.240 20 0 FCADRP COC[C@@H]1COCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001160057105 850150845 /nfs/dbraw/zinc/15/08/45/850150845.db2.gz GEZRAGCIWDLZCZ-GPMSIDNRSA-N 2 0 351.491 0.477 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001160169049 850156352 /nfs/dbraw/zinc/15/63/52/850156352.db2.gz HKMZKVJPSXFXHA-DLBZAZTESA-N 2 0 350.507 0.943 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001160388969 850169821 /nfs/dbraw/zinc/16/98/21/850169821.db2.gz RTLOOAOJBXKLDA-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637830 850186378 /nfs/dbraw/zinc/18/63/78/850186378.db2.gz PSEFTEXMNKHRJK-INIZCTEOSA-N 2 0 354.495 0.332 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726194 850194847 /nfs/dbraw/zinc/19/48/47/850194847.db2.gz KYLMAFWYNFBDMB-LBPRGKRZSA-N 2 0 350.385 0.469 20 0 FCADRP CCOC(=O)c1coc2c1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160760747 850197683 /nfs/dbraw/zinc/19/76/83/850197683.db2.gz QNNWUCUXFPKFBJ-AWEZNQCLSA-N 2 0 350.419 0.049 20 0 FCADRP CO[C@H](CN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1)c1ccccc1 ZINC001160906666 850212311 /nfs/dbraw/zinc/21/23/11/850212311.db2.gz KAQJCIJKQGXAEV-DLBZAZTESA-N 2 0 366.531 0.538 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007255 850219935 /nfs/dbraw/zinc/21/99/35/850219935.db2.gz JMZIPHVCYHRAET-YESZJQIVSA-N 2 0 353.507 0.751 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061973 850226533 /nfs/dbraw/zinc/22/65/33/850226533.db2.gz IOTIMYAPOJLWBF-GRYCIOLGSA-N 2 0 352.401 0.891 20 0 FCADRP CC(C)(C)[C@@H]([NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196452 850238515 /nfs/dbraw/zinc/23/85/15/850238515.db2.gz IHRRGIVPLQPFRW-KRWDZBQOSA-N 2 0 354.539 0.910 20 0 FCADRP O=C(N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC001161196455 850239500 /nfs/dbraw/zinc/23/95/00/850239500.db2.gz INERHHWYUAJPNF-UHFFFAOYSA-N 2 0 350.507 0.289 20 0 FCADRP [NH3+][C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239348 850242976 /nfs/dbraw/zinc/24/29/76/850242976.db2.gz ZMVMDLHETWABDA-GJZGRUSLSA-N 2 0 350.850 0.666 20 0 FCADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2)nc1 ZINC001161298687 850250940 /nfs/dbraw/zinc/25/09/40/850250940.db2.gz PCOLNOPOSGCYAL-HIFRSBDPSA-N 2 0 351.451 0.524 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C2CC[NH2+]CC2)n1 ZINC001161308749 850251095 /nfs/dbraw/zinc/25/10/95/850251095.db2.gz GOZYEKZSCGUHNI-KGLIPLIRSA-N 2 0 351.426 0.826 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161316478 850251160 /nfs/dbraw/zinc/25/11/60/850251160.db2.gz HSHGGMKGOBHZLL-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161381933 850255562 /nfs/dbraw/zinc/25/55/62/850255562.db2.gz RUZQZUWDTWNPJR-YQVWRLOYSA-N 2 0 351.491 0.858 20 0 FCADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC[NH2+]C1 ZINC001161418886 850258280 /nfs/dbraw/zinc/25/82/80/850258280.db2.gz UBZUPCUKEIOKRZ-GJZGRUSLSA-N 2 0 350.488 0.184 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@@H](c2ccsc2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161500844 850265174 /nfs/dbraw/zinc/26/51/74/850265174.db2.gz QGDGOOYGGGEUJV-LSDHHAIUSA-N 2 0 350.488 0.271 20 0 FCADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001162097637 850296758 /nfs/dbraw/zinc/29/67/58/850296758.db2.gz WZUAIZBOOYSYTG-HNNXBMFYSA-N 2 0 366.531 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](C[C@@H](C)O)CC2)CC[N@@H+]1C ZINC001162275496 850306497 /nfs/dbraw/zinc/30/64/97/850306497.db2.gz UMYDQKYNBVHXSF-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncnc(C2C[NH2+]C2)c1OC ZINC001162728791 850328068 /nfs/dbraw/zinc/32/80/68/850328068.db2.gz IBGSZNGUSIZZNU-CYBMUJFWSA-N 2 0 351.451 0.715 20 0 FCADRP O=S(=O)(c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1)C1CC[NH2+]CC1 ZINC001163202857 850359316 /nfs/dbraw/zinc/35/93/16/850359316.db2.gz OUYQGSBQGMSEPH-PBHICJAKSA-N 2 0 351.472 0.755 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1 ZINC001163348042 850365816 /nfs/dbraw/zinc/36/58/16/850365816.db2.gz QTIFJENSCRNMPC-IKGGRYGDSA-N 2 0 366.487 0.258 20 0 FCADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001164576073 850417374 /nfs/dbraw/zinc/41/73/74/850417374.db2.gz MRIDTJUGZSCZHT-SQWLQELKSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001164582417 850417395 /nfs/dbraw/zinc/41/73/95/850417395.db2.gz LBJDIKXRWOFHIJ-MGPQQGTHSA-N 2 0 350.463 0.008 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CCO1 ZINC001168124539 850573153 /nfs/dbraw/zinc/57/31/53/850573153.db2.gz XGZDWSCGJJITSX-DLBZAZTESA-N 2 0 352.523 0.724 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H](C)C[NH3+] ZINC001169181413 850608674 /nfs/dbraw/zinc/60/86/74/850608674.db2.gz PDZJZQKJSJHUCW-QWHCGFSZSA-N 2 0 350.467 0.177 20 0 FCADRP CC(=O)N1CCC[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])C1 ZINC001169589728 850630581 /nfs/dbraw/zinc/63/05/81/850630581.db2.gz SSDLYFNTTGULNC-OAHLLOKOSA-N 2 0 353.463 0.594 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)N(O)N=O ZINC001169742715 850634154 /nfs/dbraw/zinc/63/41/54/850634154.db2.gz ANHUVXCYJYOCGO-HNNXBMFYSA-N 2 0 350.423 0.429 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(Cl)nc3c2CC[NH2+]CC3)O1 ZINC001170273491 850648778 /nfs/dbraw/zinc/64/87/78/850648778.db2.gz QJVFRXCCIMCGJG-UMVBOHGHSA-N 2 0 355.870 0.955 20 0 FCADRP C[C@@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@H]1C[NH2+]CCO1 ZINC001170577127 850659487 /nfs/dbraw/zinc/65/94/87/850659487.db2.gz YENMWRATLAKFOE-CXAGYDPISA-N 2 0 368.503 0.506 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863026 850668625 /nfs/dbraw/zinc/66/86/25/850668625.db2.gz TUCZIXJTPPWBJK-MGPQQGTHSA-N 2 0 355.483 0.047 20 0 FCADRP CN(C)C(=O)CO[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]2COC[C@H]12 ZINC001172116509 850703649 /nfs/dbraw/zinc/70/36/49/850703649.db2.gz FNEPYGSFKAQLPU-PYTCMNEWSA-N 2 0 351.491 0.806 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178517922 850905085 /nfs/dbraw/zinc/90/50/85/850905085.db2.gz ACOVJGWEURWZIA-ZIAGYGMSSA-N 2 0 355.483 0.048 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178663725 850913943 /nfs/dbraw/zinc/91/39/43/850913943.db2.gz DNNDYYIJTWALKL-NWDGAFQWSA-N 2 0 357.455 0.065 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001278102307 862188220 /nfs/dbraw/zinc/18/82/20/862188220.db2.gz WMXBNYRZIFOPTI-UHFFFAOYSA-N 2 0 369.579 0.689 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518022 851116825 /nfs/dbraw/zinc/11/68/25/851116825.db2.gz NCYANHPREHHLCR-YYAJDYIMSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182456875 851175308 /nfs/dbraw/zinc/17/53/08/851175308.db2.gz IPDZMGGWPNFCSZ-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001182692862 851192651 /nfs/dbraw/zinc/19/26/51/851192651.db2.gz PCMFTWRRXXKRDF-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])OC1 ZINC001183043915 851222485 /nfs/dbraw/zinc/22/24/85/851222485.db2.gz JDNIZTVYKSITNI-NEPJUHHUSA-N 2 0 357.455 0.520 20 0 FCADRP CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185510718 851360080 /nfs/dbraw/zinc/36/00/80/851360080.db2.gz BAFQYQRSBJWRGL-GFCCVEGCSA-N 2 0 355.439 0.416 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 ZINC001188106924 851645761 /nfs/dbraw/zinc/64/57/61/851645761.db2.gz CVFRUVBTXDJDPR-CWRNSKLLSA-N 2 0 354.470 0.478 20 0 FCADRP CCCCOC(=O)CNC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001188270836 851664326 /nfs/dbraw/zinc/66/43/26/851664326.db2.gz QZKHLXWFTYFIJR-UHFFFAOYSA-N 2 0 354.495 0.999 20 0 FCADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)S(=O)(=O)CCC(=O)OC ZINC001188372558 851679767 /nfs/dbraw/zinc/67/97/67/851679767.db2.gz JOJBKTZAWTZZQQ-UHFFFAOYSA-N 2 0 365.540 0.865 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690201 851720277 /nfs/dbraw/zinc/72/02/77/851720277.db2.gz JKKRMEOIOIBSFP-YESZJQIVSA-N 2 0 353.507 0.791 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188897201 851732097 /nfs/dbraw/zinc/73/20/97/851732097.db2.gz TUSDJJRXGPJGFE-RCCFBDPRSA-N 2 0 353.507 0.650 20 0 FCADRP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034216 851744154 /nfs/dbraw/zinc/74/41/54/851744154.db2.gz CCPJYGIUCUDPGO-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189529984 851798913 /nfs/dbraw/zinc/79/89/13/851798913.db2.gz BPKYIWGWJKFYKH-ZWKOTPCHSA-N 2 0 353.507 0.914 20 0 FCADRP CC(=O)NCCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237412 851881215 /nfs/dbraw/zinc/88/12/15/851881215.db2.gz BLWMCJWKSCUFSK-HYVNUMGLSA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc2)CC1 ZINC001190831287 851969706 /nfs/dbraw/zinc/96/97/06/851969706.db2.gz IQBJWUXGIXKCDH-UHFFFAOYSA-N 2 0 368.503 0.185 20 0 FCADRP CCOC(=O)C(C)(C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001193047582 852345264 /nfs/dbraw/zinc/34/52/64/852345264.db2.gz UOGBDRPOGNYOLA-UHFFFAOYSA-N 2 0 365.540 0.863 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755158 852481774 /nfs/dbraw/zinc/48/17/74/852481774.db2.gz GWIKIXJMOXEGEG-FGTMMUONSA-N 2 0 353.507 0.981 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193812631 852493074 /nfs/dbraw/zinc/49/30/74/852493074.db2.gz QXZWSFPCRNOCSM-ZIAGYGMSSA-N 2 0 367.412 0.601 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822207 852494585 /nfs/dbraw/zinc/49/45/85/852494585.db2.gz ZTZSDKMPGRBSHC-KZNAEPCWSA-N 2 0 353.507 0.573 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832941 852658810 /nfs/dbraw/zinc/65/88/10/852658810.db2.gz WTARIEISJXOMLI-DSZOFWSKSA-N 2 0 355.454 0.151 20 0 FCADRP O=C(CCn1ccnc1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001195149564 852714940 /nfs/dbraw/zinc/71/49/40/852714940.db2.gz SXUPSDRBCHBICV-IAGOWNOFSA-N 2 0 350.463 0.641 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CC1 ZINC001195214083 852725740 /nfs/dbraw/zinc/72/57/40/852725740.db2.gz FBMKYPRSSCYWGU-ZACQAIPSSA-N 2 0 353.507 0.837 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252053 852925152 /nfs/dbraw/zinc/92/51/52/852925152.db2.gz QFRUTFNJUWACBE-GVDBMIGSSA-N 2 0 357.495 0.074 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[NH+]1CCCC1 ZINC001196306733 852934722 /nfs/dbraw/zinc/93/47/22/852934722.db2.gz HLKJYUVVHFYHTQ-GVDBMIGSSA-N 2 0 359.486 0.788 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C(C)C ZINC001197018492 853049745 /nfs/dbraw/zinc/04/97/45/853049745.db2.gz VSBSUPPCXUMIHJ-KURKYZTESA-N 2 0 355.523 0.941 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O)C(C)C ZINC001197024657 853050853 /nfs/dbraw/zinc/05/08/53/853050853.db2.gz GXYCLPHCANMQHA-FMKPAKJESA-N 2 0 365.465 0.796 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197948771 853190096 /nfs/dbraw/zinc/19/00/96/853190096.db2.gz LGQNNXDIHCCTOJ-YNEHKIRRSA-N 2 0 355.401 0.193 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653651 853296947 /nfs/dbraw/zinc/29/69/47/853296947.db2.gz LOFZAPKBJIYKKD-RCCFBDPRSA-N 2 0 353.507 0.696 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001199029993 853357893 /nfs/dbraw/zinc/35/78/93/853357893.db2.gz OURJBWNYFMWVQH-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001199369968 853413540 /nfs/dbraw/zinc/41/35/40/853413540.db2.gz FMGPHZDWFFVBLQ-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP CCOC(=O)[C@@H](C)NC(=S)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001199839265 853459017 /nfs/dbraw/zinc/45/90/17/853459017.db2.gz HJLZBTABRJRCMB-CQSZACIVSA-N 2 0 356.536 0.772 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200556486 853502078 /nfs/dbraw/zinc/50/20/78/853502078.db2.gz ZZJMQUVAJKTIEZ-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229652 853520248 /nfs/dbraw/zinc/52/02/48/853520248.db2.gz FLZLJOCXVSAHDL-IIAWOOMASA-N 2 0 354.495 0.201 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001205335395 853604019 /nfs/dbraw/zinc/60/40/19/853604019.db2.gz YURWPQKWZMQXNR-GDBMZVCRSA-N 2 0 351.495 0.180 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986516 853777064 /nfs/dbraw/zinc/77/70/64/853777064.db2.gz UPFTUOFRABNODS-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP COC(CN1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1)OC ZINC001207256531 853795185 /nfs/dbraw/zinc/79/51/85/853795185.db2.gz XMMKXVNEBMJBDT-UHFFFAOYSA-N 2 0 354.539 0.782 20 0 FCADRP O=C([C@H]1C[C@@]2(CO1)CCC[N@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437410 853813584 /nfs/dbraw/zinc/81/35/84/853813584.db2.gz WJXSZGQBASXLGQ-MJGOQNOKSA-N 2 0 351.491 0.716 20 0 FCADRP CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482197 853818782 /nfs/dbraw/zinc/81/87/82/853818782.db2.gz KPLXCEMOEPNSLZ-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705989 853843041 /nfs/dbraw/zinc/84/30/41/853843041.db2.gz MKUYAUNIXDFUSZ-IXDOHACOSA-N 2 0 353.507 0.818 20 0 FCADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070409 853891920 /nfs/dbraw/zinc/89/19/20/853891920.db2.gz LICMBUFKBXZUPA-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208412867 853930139 /nfs/dbraw/zinc/93/01/39/853930139.db2.gz QNRGCZCXEFJZGV-YQFWSFKMSA-N 2 0 350.507 0.679 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001208434804 853933333 /nfs/dbraw/zinc/93/33/33/853933333.db2.gz CQFWXQWWUCAZPL-BZUAXINKSA-N 2 0 350.507 0.774 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC)C2)CC1 ZINC001208596172 853957114 /nfs/dbraw/zinc/95/71/14/853957114.db2.gz DXOUJKGRWYITHF-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208986117 853987752 /nfs/dbraw/zinc/98/77/52/853987752.db2.gz GWEHPUOJYOISND-INIZCTEOSA-N 2 0 356.511 0.802 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210411841 854107780 /nfs/dbraw/zinc/10/77/80/854107780.db2.gz KFOZCRNTSRZETH-HUUCEWRRSA-N 2 0 352.479 0.304 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309709 854176228 /nfs/dbraw/zinc/17/62/28/854176228.db2.gz LGXCMFZXZQPCHC-KFWWJZLASA-N 2 0 350.463 0.104 20 0 FCADRP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348469 854584899 /nfs/dbraw/zinc/58/48/99/854584899.db2.gz MTALLAPASHNIPI-HUUCEWRRSA-N 2 0 353.467 0.468 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378472 854594947 /nfs/dbraw/zinc/59/49/47/854594947.db2.gz SCGWNZYJXPYJHN-HZPDHXFCSA-N 2 0 352.483 0.216 20 0 FCADRP CO[C@@H]1CN(CCc2csc(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728919 854739309 /nfs/dbraw/zinc/73/93/09/854739309.db2.gz ZXRJCFOAUASQJL-HZPDHXFCSA-N 2 0 370.519 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213769081 854760404 /nfs/dbraw/zinc/76/04/04/854760404.db2.gz HIMDTBSACUZQDW-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863271 854797782 /nfs/dbraw/zinc/79/77/82/854797782.db2.gz JCCXCGWUJPMFBL-GVDBMIGSSA-N 2 0 359.486 0.910 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930040 854830397 /nfs/dbraw/zinc/83/03/97/854830397.db2.gz WUCKJIVRYLSBLC-BRWVUGGUSA-N 2 0 359.511 0.176 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929708 854831546 /nfs/dbraw/zinc/83/15/46/854831546.db2.gz HYWFGGFBPWQUMP-BZUAXINKSA-N 2 0 354.495 0.058 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001214665807 854989169 /nfs/dbraw/zinc/98/91/69/854989169.db2.gz KCSMFWXROYYCBU-XLNGHYISSA-N 2 0 350.507 0.679 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757119 855002478 /nfs/dbraw/zinc/00/24/78/855002478.db2.gz BQDDVNSPNQTDLQ-BZUAXINKSA-N 2 0 358.502 0.971 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214779881 855011959 /nfs/dbraw/zinc/01/19/59/855011959.db2.gz BXKCNLBDXBGRNN-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214855802 855023574 /nfs/dbraw/zinc/02/35/74/855023574.db2.gz OCMYKIUCECWXMC-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214890342 855028771 /nfs/dbraw/zinc/02/87/71/855028771.db2.gz WKNCGKXQAWCAPV-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1)[NH+](C)C ZINC001214904750 855030600 /nfs/dbraw/zinc/03/06/00/855030600.db2.gz IDGBDRHBECNJBG-KYJSFNMBSA-N 2 0 352.523 0.925 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969695 855042209 /nfs/dbraw/zinc/04/22/09/855042209.db2.gz XAUUEGMRCWAVGY-OIISXLGYSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214969286 855042400 /nfs/dbraw/zinc/04/24/00/855042400.db2.gz NQDNWOIWEGQWTH-OIISXLGYSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001214997562 855049308 /nfs/dbraw/zinc/04/93/08/855049308.db2.gz JOUFEQANBKDOSI-RBSFLKMASA-N 2 0 359.536 0.588 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015643 855052522 /nfs/dbraw/zinc/05/25/22/855052522.db2.gz YXAQGJOVTYZWGR-DJIMGWMZSA-N 2 0 350.463 0.352 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)CS(C)(=O)=O ZINC001215058278 855060059 /nfs/dbraw/zinc/06/00/59/855060059.db2.gz IJONIFZYSXMHND-ARFHVFGLSA-N 2 0 371.547 0.732 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224349 855084705 /nfs/dbraw/zinc/08/47/05/855084705.db2.gz OLWXTQWSQMGZRD-KYJSFNMBSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423888 855113127 /nfs/dbraw/zinc/11/31/27/855113127.db2.gz WERXVVDXRLTRCZ-HZPDHXFCSA-N 2 0 361.552 0.978 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001215458674 855117394 /nfs/dbraw/zinc/11/73/94/855117394.db2.gz DYQIZKJPSIEEHK-HLLBOEOZSA-N 2 0 353.463 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215539982 855126391 /nfs/dbraw/zinc/12/63/91/855126391.db2.gz FWRHEGGMUUHRKA-ARFHVFGLSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539886 855126666 /nfs/dbraw/zinc/12/66/66/855126666.db2.gz BNHFIZCUMJGLKO-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)OC ZINC001215865671 855152131 /nfs/dbraw/zinc/15/21/31/855152131.db2.gz ZEORZBBHQWMRFD-HYVNUMGLSA-N 2 0 351.495 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001216213787 855179681 /nfs/dbraw/zinc/17/96/81/855179681.db2.gz RDAGNQIRRLEGOM-BZUAXINKSA-N 2 0 356.511 0.306 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001216225125 855180686 /nfs/dbraw/zinc/18/06/86/855180686.db2.gz AETHMTLBVWBWFK-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216229322 855182118 /nfs/dbraw/zinc/18/21/18/855182118.db2.gz DVMHRPNTZTYVMZ-UKRRQHHQSA-N 2 0 351.447 0.927 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)CS(C)(=O)=O ZINC001216409968 855200009 /nfs/dbraw/zinc/20/00/09/855200009.db2.gz OSJLWNSVVJMXIX-RRFJBIMHSA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216413943 855201081 /nfs/dbraw/zinc/20/10/81/855201081.db2.gz YMYNLURILKQFOC-UKRRQHHQSA-N 2 0 368.503 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001216463264 855204739 /nfs/dbraw/zinc/20/47/39/855204739.db2.gz BIVLPELAQGTUAC-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216511537 855209364 /nfs/dbraw/zinc/20/93/64/855209364.db2.gz SNRTWRHYJJWMAA-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216511771 855209418 /nfs/dbraw/zinc/20/94/18/855209418.db2.gz ZNEDKJOMULAWIQ-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCC2)C1 ZINC001216758206 855233807 /nfs/dbraw/zinc/23/38/07/855233807.db2.gz ZSUPYOPBSALZJD-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216835998 855253547 /nfs/dbraw/zinc/25/35/47/855253547.db2.gz RKMHJUKKQBCEMU-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216852199 855260358 /nfs/dbraw/zinc/26/03/58/855260358.db2.gz RSFZJPYEEYZGRH-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218102979 855397993 /nfs/dbraw/zinc/39/79/93/855397993.db2.gz OLJYNGRQFRABHG-OLZOCXBDSA-N 2 0 351.472 0.577 20 0 FCADRP Cn1nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c2ccc(Cl)nc21 ZINC001218574386 855442809 /nfs/dbraw/zinc/44/28/09/855442809.db2.gz SQVQSJLXXSRIPP-LLVKDONJSA-N 2 0 351.842 0.311 20 0 FCADRP COc1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1C(F)(F)F ZINC001218693094 855465680 /nfs/dbraw/zinc/46/56/80/855465680.db2.gz OELDPOXYIWKPQQ-LBPRGKRZSA-N 2 0 361.368 0.798 20 0 FCADRP CC(C)(C)[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218776450 855478258 /nfs/dbraw/zinc/47/82/58/855478258.db2.gz KZJJNYFLYJKGJE-FOGDFJRCSA-N 2 0 370.885 0.003 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(O)c1 ZINC001218878814 855489513 /nfs/dbraw/zinc/48/95/13/855489513.db2.gz YKLLGNHLQCNKRU-KBPBESRZSA-N 2 0 352.410 0.917 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc2F)CC1 ZINC001218890004 855491816 /nfs/dbraw/zinc/49/18/16/855491816.db2.gz ZCCPAJIIFCCYMI-HNNXBMFYSA-N 3 0 369.510 0.925 20 0 FCADRP COC(=O)Cc1c(F)ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1F ZINC001218929327 855498320 /nfs/dbraw/zinc/49/83/20/855498320.db2.gz PEKYHJDLRRNHOB-BMLIUANNSA-N 2 0 353.369 0.818 20 0 FCADRP CCOC(=O)Cn1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001219292169 855620336 /nfs/dbraw/zinc/62/03/36/855620336.db2.gz KJHMSSAMUZEHTI-UHFFFAOYSA-N 2 0 354.455 0.403 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580706 855721465 /nfs/dbraw/zinc/72/14/65/855721465.db2.gz QRUAXOMXGVUCBH-MJBXVCDLSA-N 2 0 374.279 0.416 20 0 FCADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001219595996 855725537 /nfs/dbraw/zinc/72/55/37/855725537.db2.gz ZNPGCLFZXDUHPK-LLVKDONJSA-N 2 0 353.366 0.842 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614205 855733737 /nfs/dbraw/zinc/73/37/37/855733737.db2.gz UZZBSRHVIUBZHG-WFASDCNBSA-N 2 0 358.364 0.083 20 0 FCADRP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652213 855755962 /nfs/dbraw/zinc/75/59/62/855755962.db2.gz IQPSXBAYFZYIPF-SJORKVTESA-N 2 0 351.495 0.656 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744060 855794930 /nfs/dbraw/zinc/79/49/30/855794930.db2.gz RIGLNPSHQKMAGU-ZNMIVQPWSA-N 2 0 354.495 0.282 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219744259 855796500 /nfs/dbraw/zinc/79/65/00/855796500.db2.gz VSMUHUFUMUDAPI-IRXDYDNUSA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219796911 855816759 /nfs/dbraw/zinc/81/67/59/855816759.db2.gz WVBVQRCNMQRVLG-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c2ccsc2)C1 ZINC001219813153 855828541 /nfs/dbraw/zinc/82/85/41/855828541.db2.gz OTSJYEBMEVAGKZ-LHHMISFZSA-N 2 0 364.515 0.565 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001219829855 855834997 /nfs/dbraw/zinc/83/49/97/855834997.db2.gz GPNWNPXVNBEKEZ-KSZLIROESA-N 2 0 353.507 0.839 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)C[NH2+]CC2 ZINC001219843925 855843094 /nfs/dbraw/zinc/84/30/94/855843094.db2.gz FSCDXABSJBPGMI-YVEFUNNKSA-N 2 0 351.472 0.519 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851873 855846476 /nfs/dbraw/zinc/84/64/76/855846476.db2.gz HKJKPPJRMLMGEO-ZQDZILKHSA-N 2 0 355.479 0.566 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001219916222 855877813 /nfs/dbraw/zinc/87/78/13/855877813.db2.gz OEMLSBFDECVWFD-DZGCQCFKSA-N 2 0 352.504 0.430 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CCCC1 ZINC001220077962 855949089 /nfs/dbraw/zinc/94/90/89/855949089.db2.gz CRWDXLVYDINURT-BBWFWOEESA-N 2 0 353.507 0.981 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C(N)=[NH2+])c2ccccc2F)COC1(C)C ZINC001220106193 855963270 /nfs/dbraw/zinc/96/32/70/855963270.db2.gz DVQVGOCHHSJHJZ-CABZTGNLSA-N 2 0 351.382 0.363 20 0 FCADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)OCC ZINC001220231103 856023265 /nfs/dbraw/zinc/02/32/65/856023265.db2.gz VBWOCFDQFOFWLH-KBPBESRZSA-N 2 0 359.467 0.437 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315511 856061124 /nfs/dbraw/zinc/06/11/24/856061124.db2.gz DRDUJMVQMZICGO-PMUMKWKESA-N 2 0 355.479 0.853 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220335912 856070752 /nfs/dbraw/zinc/07/07/52/856070752.db2.gz YJUHRCXJARGIMI-CABCVRRESA-N 2 0 356.511 0.482 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355316 856080809 /nfs/dbraw/zinc/08/08/09/856080809.db2.gz LUQSWAFMCKUNLZ-MJBXVCDLSA-N 2 0 367.412 0.459 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387938 856102105 /nfs/dbraw/zinc/10/21/05/856102105.db2.gz VRIWYWOMYNHIKT-BBWFWOEESA-N 2 0 357.495 0.075 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2O)cn1 ZINC001220517074 856163965 /nfs/dbraw/zinc/16/39/65/856163965.db2.gz UTMPKAZSJFSWSM-CVEARBPZSA-N 2 0 355.458 0.359 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C(C)C ZINC001220575520 856191236 /nfs/dbraw/zinc/19/12/36/856191236.db2.gz VSBSUPPCXUMIHJ-FGTMMUONSA-N 2 0 355.523 0.941 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609612 856206752 /nfs/dbraw/zinc/20/67/52/856206752.db2.gz CFXLNSQZRTXTSP-HZSPNIEDSA-N 2 0 370.247 0.716 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638158 856215146 /nfs/dbraw/zinc/21/51/46/856215146.db2.gz UVCDFCKNHWEZPM-SJORKVTESA-N 2 0 357.495 0.074 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001220716742 856260773 /nfs/dbraw/zinc/26/07/73/856260773.db2.gz QDIFCCCRPBNLKD-LVQVYYBASA-N 2 0 369.531 0.532 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)s1 ZINC001220764436 856288159 /nfs/dbraw/zinc/28/81/59/856288159.db2.gz LATZYKFGPVKWGE-CVEARBPZSA-N 2 0 355.504 0.604 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1cccnc1N1CC[NH2+]CC1 ZINC001220802950 856308425 /nfs/dbraw/zinc/30/84/25/856308425.db2.gz AJXMJIHNVFBBPK-STQMWFEESA-N 2 0 357.380 0.761 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1csc(N2CC[NH2+]CC2)n1 ZINC001220806212 856309229 /nfs/dbraw/zinc/30/92/29/856309229.db2.gz ZAPAPAQNUIQZHV-ZJUUUORDSA-N 2 0 363.409 0.823 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC001220851282 856336255 /nfs/dbraw/zinc/33/62/55/856336255.db2.gz OOLPWAILZOPIIS-ZIAGYGMSSA-N 2 0 366.487 0.234 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220855270 856338996 /nfs/dbraw/zinc/33/89/96/856338996.db2.gz SJEUBTMXTSNQQJ-HNNXBMFYSA-N 2 0 351.472 0.176 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889338 856360322 /nfs/dbraw/zinc/36/03/22/856360322.db2.gz IYMZOLXMXDYYSC-AGIUHOORSA-N 2 0 362.565 0.173 20 0 FCADRP O=C(CNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898741 856363348 /nfs/dbraw/zinc/36/33/48/856363348.db2.gz UVTNAYJBZAIQQY-HOCLYGCPSA-N 2 0 354.470 0.670 20 0 FCADRP O=C(CNC(=O)[C@H]1CC[NH2+]C[C@@H]1F)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900992 856364491 /nfs/dbraw/zinc/36/44/91/856364491.db2.gz ROYBLINWXKRBNI-HOTGVXAUSA-N 2 0 354.470 0.527 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220909609 856370063 /nfs/dbraw/zinc/37/00/63/856370063.db2.gz XCAKVOOPMULUTN-AWEZNQCLSA-N 2 0 357.524 0.238 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976341 856403869 /nfs/dbraw/zinc/40/38/69/856403869.db2.gz VIBLFEKNSSYBMQ-XQQFMLRXSA-N 2 0 353.385 0.068 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976708 856403918 /nfs/dbraw/zinc/40/39/18/856403918.db2.gz LCJNLPOEBOHMCI-IVCQMTBJSA-N 2 0 369.506 0.950 20 0 FCADRP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986021 856409159 /nfs/dbraw/zinc/40/91/59/856409159.db2.gz ORUQNNHSXZHVMC-UVOQLLHRSA-N 2 0 353.507 0.862 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081409 856452626 /nfs/dbraw/zinc/45/26/26/856452626.db2.gz JXXOPCZXPGBRTD-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148699 856484821 /nfs/dbraw/zinc/48/48/21/856484821.db2.gz LNDZVUNOOGSIMS-HUUCEWRRSA-N 2 0 352.460 0.060 20 0 FCADRP CC(C)C[C@@](C)([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149005 856484927 /nfs/dbraw/zinc/48/49/27/856484927.db2.gz VLYMENXDRPZCAX-QGZVFWFLSA-N 2 0 368.503 0.696 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001221187598 856507329 /nfs/dbraw/zinc/50/73/29/856507329.db2.gz BFAVDSXSVLORKV-GJZGRUSLSA-N 2 0 353.488 0.952 20 0 FCADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221244270 856527322 /nfs/dbraw/zinc/52/73/22/856527322.db2.gz UPNSLPKLOGDKHD-RLFYNMQTSA-N 3 0 353.511 0.034 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H](N)CCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221260138 856532476 /nfs/dbraw/zinc/53/24/76/856532476.db2.gz IUSKYGPGYFWNBD-PELKAZGASA-N 2 0 364.418 0.343 20 0 FCADRP CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001221364841 856554905 /nfs/dbraw/zinc/55/49/05/856554905.db2.gz PCIIJMUKGCQHRL-UHQDVWGKSA-N 2 0 352.479 0.748 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406589 856558906 /nfs/dbraw/zinc/55/89/06/856558906.db2.gz HDFNBNVUVDQVMH-PMPSAXMXSA-N 2 0 371.547 0.636 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H](C)C1 ZINC001221407681 856559106 /nfs/dbraw/zinc/55/91/06/856559106.db2.gz DUIPUIPJDIJATA-QLFBSQMISA-N 2 0 356.511 0.480 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221711005 856660074 /nfs/dbraw/zinc/66/00/74/856660074.db2.gz UBRIYJOWKSYPPV-KZNAEPCWSA-N 2 0 351.491 0.402 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221774092 856679013 /nfs/dbraw/zinc/67/90/13/856679013.db2.gz SCRABQLBSADEDJ-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895120 856725750 /nfs/dbraw/zinc/72/57/50/856725750.db2.gz WMOXSTWEGSVUNP-JFIYKMOQSA-N 2 0 353.507 0.791 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001221918825 856732530 /nfs/dbraw/zinc/73/25/30/856732530.db2.gz WJCDCTOLEAYPLA-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500397 856921005 /nfs/dbraw/zinc/92/10/05/856921005.db2.gz SAJQTKOIHOKIGK-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505488 856921887 /nfs/dbraw/zinc/92/18/87/856921887.db2.gz DZAQKVRUFJMJMX-ZACQAIPSSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCCC3=O)[C@H]2C1 ZINC001223985266 856954605 /nfs/dbraw/zinc/95/46/05/856954605.db2.gz WQJPFPVCOYPDBO-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130128 856961490 /nfs/dbraw/zinc/96/14/90/856961490.db2.gz OGAVYECQYQWEAT-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001225377630 857037393 /nfs/dbraw/zinc/03/73/93/857037393.db2.gz CPIKMHBNLNVSKD-UPJWGTAASA-N 2 0 364.412 0.776 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001226800443 857126738 /nfs/dbraw/zinc/12/67/38/857126738.db2.gz KYERFHLADQWURD-JFIYKMOQSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O)C1CC1 ZINC001226800853 857126989 /nfs/dbraw/zinc/12/69/89/857126989.db2.gz OXWAYKAESAHNEM-JFIYKMOQSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001227150635 857146400 /nfs/dbraw/zinc/14/64/00/857146400.db2.gz WWBQFJAFOAGRHI-YNEHKIRRSA-N 2 0 355.483 0.317 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001228239812 857198181 /nfs/dbraw/zinc/19/81/81/857198181.db2.gz ZUOZKFZDCNKXKI-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001228238353 857198549 /nfs/dbraw/zinc/19/85/49/857198549.db2.gz BWWKYMLXDCBUEE-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001228603118 857218213 /nfs/dbraw/zinc/21/82/13/857218213.db2.gz NQACFKFEQZUUJW-DJIMGWMZSA-N 2 0 350.507 0.871 20 0 FCADRP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229715894 857283634 /nfs/dbraw/zinc/28/36/34/857283634.db2.gz BNPAQEFDOPWWQF-ZIAGYGMSSA-N 2 0 355.508 0.942 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)CS(C)(=O)=O ZINC001229717288 857284453 /nfs/dbraw/zinc/28/44/53/857284453.db2.gz PWUPTJVILGHUFJ-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)c1nncn1C ZINC001229717809 857284562 /nfs/dbraw/zinc/28/45/62/857284562.db2.gz YFJUOZUWFTUUNA-RBSFLKMASA-N 2 0 352.483 0.471 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4(C)COC4)CC3)[C@H]2C1 ZINC001279459211 862894422 /nfs/dbraw/zinc/89/44/22/862894422.db2.gz BNNLNGDHDSACCH-HOTGVXAUSA-N 2 0 350.507 0.097 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001279474378 862903368 /nfs/dbraw/zinc/90/33/68/862903368.db2.gz NCIPTWVWSBYYJI-MJGOQNOKSA-N 2 0 352.523 0.774 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234403622 857404262 /nfs/dbraw/zinc/40/42/62/857404262.db2.gz VRIMJOSJICGIJS-DJIMGWMZSA-N 2 0 354.495 0.012 20 0 FCADRP OC1CCN(c2nc(Cl)c(CN3CCNC[C@]34CC[NH2+]C4)s2)CC1 ZINC001234986518 857416980 /nfs/dbraw/zinc/41/69/80/857416980.db2.gz KKLTVOTZQBCVCI-MRXNPFEDSA-N 2 0 371.938 0.895 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C[C@@H]1C[NH2+]C(C)(C)O1)CCC2 ZINC001235638648 857429960 /nfs/dbraw/zinc/42/99/60/857429960.db2.gz ZISCTJRGFSXTOC-HNNXBMFYSA-N 2 0 351.495 0.892 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Br)cn1 ZINC001235870142 857433404 /nfs/dbraw/zinc/43/34/04/857433404.db2.gz IWSSFGAACMGTQH-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc(Br)s1 ZINC001236310252 857438866 /nfs/dbraw/zinc/43/88/66/857438866.db2.gz GCXARUNIGVTKCD-UHFFFAOYSA-N 2 0 364.313 0.521 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn2c(cccc2Cl)n1 ZINC001236311024 857438871 /nfs/dbraw/zinc/43/88/71/857438871.db2.gz FCUOKUNEPAALAT-UHFFFAOYSA-N 2 0 352.870 0.604 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ncc(Br)s1 ZINC001236311760 857439824 /nfs/dbraw/zinc/43/98/24/857439824.db2.gz VHXAEJITGLCYOB-UHFFFAOYSA-N 2 0 364.313 0.521 20 0 FCADRP CC(C)Sc1nccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236313933 857439850 /nfs/dbraw/zinc/43/98/50/857439850.db2.gz DYEFVKIQTPMMIY-UHFFFAOYSA-N 2 0 354.524 0.593 20 0 FCADRP CCOc1cc(F)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)c1 ZINC001236311904 857439971 /nfs/dbraw/zinc/43/99/71/857439971.db2.gz XAPNKBLCFVQCPX-UHFFFAOYSA-N 2 0 358.433 0.979 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001237647335 857456642 /nfs/dbraw/zinc/45/66/42/857456642.db2.gz SGJHRAWNOPQGEW-UHFFFAOYSA-N 2 0 352.504 0.833 20 0 FCADRP COC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239711 857465021 /nfs/dbraw/zinc/46/50/21/857465021.db2.gz FWDGITRBKIYWBZ-CYBMUJFWSA-N 2 0 367.471 0.626 20 0 FCADRP COc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238242728 857465381 /nfs/dbraw/zinc/46/53/81/857465381.db2.gz QELPQBVDNJBYEB-LBPRGKRZSA-N 2 0 357.451 0.987 20 0 FCADRP CCOC(=O)c1ccncc1S(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238879648 857485613 /nfs/dbraw/zinc/48/56/13/857485613.db2.gz NNUVDKKQBNAEOY-UHFFFAOYSA-N 2 0 358.464 0.255 20 0 FCADRP CC(=O)Nc1nc(C)c(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])s1 ZINC001238880105 857485831 /nfs/dbraw/zinc/48/58/31/857485831.db2.gz VFDWNIFYLVDVII-UHFFFAOYSA-N 2 0 363.509 0.407 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239078559 857508492 /nfs/dbraw/zinc/50/84/92/857508492.db2.gz YUONGRNLNPKCMR-PMPSAXMXSA-N 2 0 355.508 0.345 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001239097116 857512735 /nfs/dbraw/zinc/51/27/35/857512735.db2.gz PGCYQNHBGLODJP-UHFFFAOYSA-N 2 0 358.208 0.635 20 0 FCADRP COc1ccc(Br)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097449 857513774 /nfs/dbraw/zinc/51/37/74/857513774.db2.gz TWSKFJXJJINGNG-UHFFFAOYSA-N 2 0 352.254 0.366 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCCc1ccccc1 ZINC001239451352 857529608 /nfs/dbraw/zinc/52/96/08/857529608.db2.gz KNLOBHAUQQYVAM-UHFFFAOYSA-N 2 0 351.520 0.219 20 0 FCADRP COc1ccc(NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239450106 857529759 /nfs/dbraw/zinc/52/97/59/857529759.db2.gz DNSMTMDXNWBGQB-UHFFFAOYSA-N 2 0 353.492 0.508 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001245977287 857561542 /nfs/dbraw/zinc/56/15/42/857561542.db2.gz VWKPDPSACHXLJQ-BPQIPLTHSA-N 2 0 356.438 0.267 20 0 FCADRP [NH3+][C@@H]1CCN(c2c(F)cccc2NC[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245967825 857562074 /nfs/dbraw/zinc/56/20/74/857562074.db2.gz INEKFYOQAHRNDT-ZIAGYGMSSA-N 2 0 352.454 0.641 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001246018634 857563949 /nfs/dbraw/zinc/56/39/49/857563949.db2.gz HCLKWLNVAKYHJP-YJBOKZPZSA-N 2 0 351.447 0.314 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246019105 857564521 /nfs/dbraw/zinc/56/45/21/857564521.db2.gz JBKJNXJCVCXWDD-HRCADAONSA-N 2 0 358.433 0.029 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001246019063 857564851 /nfs/dbraw/zinc/56/48/51/857564851.db2.gz HGONNGNCXJEDFD-PKOBYXMFSA-N 2 0 352.475 0.791 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]1C2 ZINC001246044319 857565473 /nfs/dbraw/zinc/56/54/73/857565473.db2.gz GRMOGKALTYXFFD-MTVAPTMQSA-N 2 0 354.447 0.020 20 0 FCADRP O[C@@H](CCOCc1ccccc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057005 857566867 /nfs/dbraw/zinc/56/68/67/857566867.db2.gz REJJYXVEMXKBHN-IBGZPJMESA-N 2 0 350.507 0.039 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246051401 857567100 /nfs/dbraw/zinc/56/71/00/857567100.db2.gz GGLPCBDWTVBIJY-BQDHKBFISA-N 2 0 357.401 0.018 20 0 FCADRP COCCCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC001246060092 857567364 /nfs/dbraw/zinc/56/73/64/857567364.db2.gz SEHJJSZBUMXJCF-FGTMMUONSA-N 2 0 357.445 0.896 20 0 FCADRP COC(=O)C1C[C@@H]2CC(NC[C@@]34CCCO[C@@H]3CC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246144653 857569482 /nfs/dbraw/zinc/56/94/82/857569482.db2.gz KWWKUSDZGHHKNO-USWODUCQSA-N 2 0 351.491 0.807 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@H](C1)[NH2+]2 ZINC001246244927 857571693 /nfs/dbraw/zinc/57/16/93/857571693.db2.gz DDTHMFZVBSOPRA-ZKLCHKPXSA-N 3 0 351.491 0.807 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCN(C4CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246369564 857576267 /nfs/dbraw/zinc/57/62/67/857576267.db2.gz GALDSOPEVVRZJZ-IZTSSTLKSA-N 3 0 350.507 0.475 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCCC[S@](C)=O ZINC001246448666 857579658 /nfs/dbraw/zinc/57/96/58/857579658.db2.gz HFPJJMPJNPZNQM-QFIPXVFZSA-N 2 0 350.598 0.835 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545295 857584656 /nfs/dbraw/zinc/58/46/56/857584656.db2.gz AVVRHCVETKNILV-HIFRSBDPSA-N 2 0 352.472 0.896 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCOC[C@]4(CCC[NH2+]C4)C3)C[C@H](C1)[NH2+]2 ZINC001246646580 857586959 /nfs/dbraw/zinc/58/69/59/857586959.db2.gz ODYXSSFIMDXCSC-SANTULGFSA-N 2 0 351.491 0.761 20 0 FCADRP O=C([C@@H]1C[C@H](N2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246620239 857587475 /nfs/dbraw/zinc/58/74/75/857587475.db2.gz QJICCIYIOGGJJD-DKIMLUQUSA-N 2 0 358.511 0.821 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709494 857592364 /nfs/dbraw/zinc/59/23/64/857592364.db2.gz OTROUFKSZUSRJV-DEORAPPZSA-N 2 0 351.491 0.902 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736797 857595758 /nfs/dbraw/zinc/59/57/58/857595758.db2.gz BLIFIHISFLFFCO-TZNCUMHOSA-N 2 0 351.491 0.570 20 0 FCADRP CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750343 857597432 /nfs/dbraw/zinc/59/74/32/857597432.db2.gz ULVOKBKNYGEWQD-QFBILLFUSA-N 2 0 350.507 0.430 20 0 FCADRP O=C(c1cscn1)N1CC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246772500 857599932 /nfs/dbraw/zinc/59/99/32/857599932.db2.gz AIUGIQKUTZPEHK-RBSFLKMASA-N 2 0 361.515 0.631 20 0 FCADRP O=S1(=O)CC[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C12C[NH2+]C2 ZINC001247903727 857618816 /nfs/dbraw/zinc/61/88/16/857618816.db2.gz QWBJIQJJNWXVGJ-NSHDSACASA-N 2 0 361.427 0.021 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279518437 862933737 /nfs/dbraw/zinc/93/37/37/862933737.db2.gz VKVYEKWAZGPTBV-YJBOKZPZSA-N 2 0 354.495 0.014 20 0 FCADRP Cc1cnc2n1CCN(C)C21CCN(C(=S)NCC[NH+](C)C)CC1 ZINC001249832439 857649671 /nfs/dbraw/zinc/64/96/71/857649671.db2.gz HTXQTEJMHGDBDH-UHFFFAOYSA-N 2 0 350.536 0.864 20 0 FCADRP C[NH+](C)CCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001249837485 857652460 /nfs/dbraw/zinc/65/24/60/857652460.db2.gz NBALZRDXUVACPH-UHFFFAOYSA-N 2 0 351.520 0.779 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253145773 857864506 /nfs/dbraw/zinc/86/45/06/857864506.db2.gz NOJHORYXLQJCAR-GOSISDBHSA-N 2 0 351.491 0.140 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253185369 857870227 /nfs/dbraw/zinc/87/02/27/857870227.db2.gz FZMAKLGQDRWKLT-TWMKSMIVSA-N 2 0 355.479 0.047 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969350 858042478 /nfs/dbraw/zinc/04/24/78/858042478.db2.gz YOHYCJMNHHYZSX-WBVHZDCISA-N 2 0 352.523 0.975 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)[NH2+]CCN1CC[NH+](C)CC1 ZINC001255989886 858045883 /nfs/dbraw/zinc/04/58/83/858045883.db2.gz GURHRXKKSMEKFR-UHFFFAOYSA-N 2 0 357.495 0.879 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)OC(C)(C)C ZINC001256462365 858081261 /nfs/dbraw/zinc/08/12/61/858081261.db2.gz PPBDUWPYZBBVNQ-OLZOCXBDSA-N 2 0 360.459 0.912 20 0 FCADRP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696659 858096701 /nfs/dbraw/zinc/09/67/01/858096701.db2.gz KSWAWGSDMCGMMN-GPANFISMSA-N 2 0 353.463 0.383 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CCC3(C[NH+](CC4CC[NH+](C)CC4)C3)C2)c1 ZINC001279629579 862986218 /nfs/dbraw/zinc/98/62/18/862986218.db2.gz XLLVEMMQOHKUBF-UHFFFAOYSA-N 2 0 367.519 0.458 20 0 FCADRP [NH3+]CCN(CC[NH2+]C1CCN(C(=O)c2ccccc2)CC1)N(O)N=O ZINC001258639855 858209934 /nfs/dbraw/zinc/20/99/34/858209934.db2.gz WEEHOOZEXNLNGD-UHFFFAOYSA-N 2 0 350.423 0.429 20 0 FCADRP Cc1nn(CCO)c(C)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001261144483 858469337 /nfs/dbraw/zinc/46/93/37/858469337.db2.gz JDKSOJYXQIGUSJ-UHFFFAOYSA-N 2 0 351.495 0.382 20 0 FCADRP COCCCC[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001279727009 863028167 /nfs/dbraw/zinc/02/81/67/863028167.db2.gz PLFHBTSAHPNMOX-MLHJIOFPSA-N 2 0 353.507 0.837 20 0 FCADRP O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001261436741 858547882 /nfs/dbraw/zinc/54/78/82/858547882.db2.gz KERJZYWLCAXWMC-KRWDZBQOSA-N 2 0 368.499 0.283 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC001261522661 858579030 /nfs/dbraw/zinc/57/90/30/858579030.db2.gz AIXPVHBKFDSALE-BXWFABGCSA-N 2 0 350.507 0.810 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC001262064426 858769735 /nfs/dbraw/zinc/76/97/35/858769735.db2.gz ZVTFSSPTFMOQMF-YHUYYLMFSA-N 2 0 354.495 0.093 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC001262064424 858769880 /nfs/dbraw/zinc/76/98/80/858769880.db2.gz ZVTFSSPTFMOQMF-KLHDSHLOSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001262614825 859019235 /nfs/dbraw/zinc/01/92/35/859019235.db2.gz RGDOZOWPDQRLEG-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001262890609 859063906 /nfs/dbraw/zinc/06/39/06/859063906.db2.gz XSMTWSIOTVVNRX-CYBMUJFWSA-N 2 0 350.467 0.859 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccco1)N1CC[NH+](C)CC1 ZINC001263829853 859216413 /nfs/dbraw/zinc/21/64/13/859216413.db2.gz BVRQCOSXTNZMHC-MRXNPFEDSA-N 2 0 351.495 0.989 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270062045 859639027 /nfs/dbraw/zinc/63/90/27/859639027.db2.gz VNZQIYZGLJMEMC-HNNXBMFYSA-N 2 0 368.547 0.483 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001271138350 859903694 /nfs/dbraw/zinc/90/36/94/859903694.db2.gz DDNRIKMIDMPPOT-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C1(C)CC[NH+](C)CC1 ZINC001272820642 860271890 /nfs/dbraw/zinc/27/18/90/860271890.db2.gz KPCUGRBNZZCEFH-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822540 860272149 /nfs/dbraw/zinc/27/21/49/860272149.db2.gz YPJKKEYUKMJHSV-LPHOPBHVSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)C1=O ZINC001273404090 860479731 /nfs/dbraw/zinc/47/97/31/860479731.db2.gz TXQQYINVERXCQC-HNAYVOBHSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273547328 860527878 /nfs/dbraw/zinc/52/78/78/860527878.db2.gz GNEIZOYYZYLSET-SFHVURJKSA-N 2 0 354.495 0.110 20 0 FCADRP Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001274908394 860869459 /nfs/dbraw/zinc/86/94/59/860869459.db2.gz LLFMRPYFIKSKRE-GJZGRUSLSA-N 2 0 364.515 0.941 20 0 FCADRP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001275171107 860977765 /nfs/dbraw/zinc/97/77/65/860977765.db2.gz DGQJQKNTCNWZSS-JYJNAYRXSA-N 2 0 363.531 0.873 20 0 FCADRP COC(C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncn3C)C2)C1)OC ZINC001275492869 861110136 /nfs/dbraw/zinc/11/01/36/861110136.db2.gz AMBPLSDAVXCVLT-KRWDZBQOSA-N 2 0 352.435 0.090 20 0 FCADRP COC(=O)[C@@H](C)CN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275556203 861127794 /nfs/dbraw/zinc/12/77/94/861127794.db2.gz JAGUOFPQDGFQIF-AWEZNQCLSA-N 2 0 353.463 0.051 20 0 FCADRP CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275555954 861127977 /nfs/dbraw/zinc/12/79/77/861127977.db2.gz FJLJTNRPOLOTGZ-IAGOWNOFSA-N 2 0 371.547 0.828 20 0 FCADRP O=C1N(CCN2CCOCC2)CC[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275736825 861180702 /nfs/dbraw/zinc/18/07/02/861180702.db2.gz HNMJGLMICXIAOH-LJQANCHMSA-N 2 0 350.507 0.243 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737881 861181649 /nfs/dbraw/zinc/18/16/49/861181649.db2.gz QJJDPTMPAIYKMC-LJQANCHMSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)OC(=O)CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738226 861181918 /nfs/dbraw/zinc/18/19/18/861181918.db2.gz WEZZFQDCWSYFCP-GOSISDBHSA-N 2 0 353.463 0.241 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914414 863134053 /nfs/dbraw/zinc/13/40/53/863134053.db2.gz QRLQLTRZKIEMIG-QFBILLFUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279995254 863171654 /nfs/dbraw/zinc/17/16/54/863171654.db2.gz UNCHZWRSXUJCHM-CALCHBBNSA-N 2 0 371.595 0.539 20 0 FCADRP COC(C)(C)C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CCN3CC4)[C@H]2C1 ZINC001280056630 863228046 /nfs/dbraw/zinc/22/80/46/863228046.db2.gz SNTBASMZVFZOON-IKGGRYGDSA-N 2 0 351.491 0.807 20 0 FCADRP COCCC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280096590 863263905 /nfs/dbraw/zinc/26/39/05/863263905.db2.gz PHFLHVIJGSTUDH-QGZVFWFLSA-N 2 0 353.507 0.914 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280137902 863288070 /nfs/dbraw/zinc/28/80/70/863288070.db2.gz PFBQEEWLFRDTTK-MUJYYYPQSA-N 2 0 357.520 0.105 20 0 FCADRP O=C(NCC1COC1)[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]2CCCO[C@H]21 ZINC001280137816 863289074 /nfs/dbraw/zinc/28/90/74/863289074.db2.gz NODPZYZBTVRMHX-FGTMMUONSA-N 2 0 351.491 0.476 20 0 FCADRP CN(C)C(=O)CN1CC2(C1)CCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280245501 863356854 /nfs/dbraw/zinc/35/68/54/863356854.db2.gz GPROMFFCAVAHIC-UHFFFAOYSA-N 2 0 351.539 0.110 20 0 FCADRP COCCOCN1CC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280246421 863357863 /nfs/dbraw/zinc/35/78/63/863357863.db2.gz YBOFLNISRKNDEA-UHFFFAOYSA-N 2 0 354.539 0.642 20 0 FCADRP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290857782 865531711 /nfs/dbraw/zinc/53/17/11/865531711.db2.gz PEOFXWZACMXWOD-QGZVFWFLSA-N 2 0 350.511 0.964 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001350062300 866499794 /nfs/dbraw/zinc/49/97/94/866499794.db2.gz MPBOWCFUMIUNKI-QAQDUYKDSA-N 2 0 350.507 0.955 20 0 FCADRP CC[C@H](C)[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001350908092 866727332 /nfs/dbraw/zinc/72/73/32/866727332.db2.gz JKQCZFPMXWURON-HNNXBMFYSA-N 2 0 350.511 0.907 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001351213626 866814416 /nfs/dbraw/zinc/81/44/16/866814416.db2.gz UFWJWNICCRAJCN-UAGQMJEPSA-N 2 0 353.511 0.173 20 0 FCADRP C[C@@H]1C[C@@H](CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001309759243 866885307 /nfs/dbraw/zinc/88/53/07/866885307.db2.gz ZIDUMPPGMCYPFM-YYIAUSFCSA-N 2 0 361.552 0.803 20 0 FCADRP C/C(=C\C(=O)NCC[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC001351512857 866888785 /nfs/dbraw/zinc/88/87/85/866888785.db2.gz OVMAWEKUBZUEBZ-IGPFEKLESA-N 2 0 350.507 0.849 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001316628832 867366939 /nfs/dbraw/zinc/36/69/39/867366939.db2.gz COOCIKCFBWMXQG-KLHDSHLOSA-N 2 0 352.523 0.973 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001353647056 867463269 /nfs/dbraw/zinc/46/32/69/867463269.db2.gz YGWOLGOAVZIVTB-DAWZGUTISA-N 2 0 350.507 0.384 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001317077663 867518780 /nfs/dbraw/zinc/51/87/80/867518780.db2.gz DOCIUNDEXADXFM-SYLRKERUSA-N 2 0 364.412 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCCN1CC[NH+](C)CC1 ZINC001354317326 867580901 /nfs/dbraw/zinc/58/09/01/867580901.db2.gz WWAXSOLWFBDVTC-MRXNPFEDSA-N 2 0 350.515 0.231 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC001321610310 868538572 /nfs/dbraw/zinc/53/85/72/868538572.db2.gz ADTNHYDCQAGFKQ-GOSISDBHSA-N 2 0 370.563 0.873 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001325275416 869837510 /nfs/dbraw/zinc/83/75/10/869837510.db2.gz PWUNPMVGGDPGHQ-HNNXBMFYSA-N 2 0 350.463 0.580 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325398555 869876252 /nfs/dbraw/zinc/87/62/52/869876252.db2.gz BATVBLPYZDKXON-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001343243708 870317622 /nfs/dbraw/zinc/31/76/22/870317622.db2.gz SNCPBUYNJORUKD-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001326984097 870602763 /nfs/dbraw/zinc/60/27/63/870602763.db2.gz IMDISMGQMWROKX-UHFFFAOYSA-N 2 0 351.495 0.515 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001344896564 871087020 /nfs/dbraw/zinc/08/70/20/871087020.db2.gz IGXCDIXZQVIIRA-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327855229 871112765 /nfs/dbraw/zinc/11/27/65/871112765.db2.gz HBMOLXQMGPXSND-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001328324093 871362487 /nfs/dbraw/zinc/36/24/87/871362487.db2.gz MMZMCSWJTGMXJL-JYJNAYRXSA-N 2 0 358.527 0.094 20 0 FCADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001328490203 871459405 /nfs/dbraw/zinc/45/94/05/871459405.db2.gz LBNDEFMWLGOFMP-QWHCGFSZSA-N 2 0 350.467 0.344 20 0 FCADRP C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001345921575 871561924 /nfs/dbraw/zinc/56/19/24/871561924.db2.gz PVFPEWCPYVSLRP-IYLRHEGRSA-N 2 0 350.507 0.849 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328846843 871663038 /nfs/dbraw/zinc/66/30/38/871663038.db2.gz VSSWOARTYBUQSC-OKZBNKHCSA-N 2 0 352.523 0.759 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)[C@H]1CCC[NH2+]1 ZINC001329491944 872066019 /nfs/dbraw/zinc/06/60/19/872066019.db2.gz YPKBTKKLVAKAMN-HZPDHXFCSA-N 2 0 357.520 0.391 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1C[N@H+](C)CCN1C ZINC001347186437 872209156 /nfs/dbraw/zinc/20/91/56/872209156.db2.gz NEAKXFPMBNEYFG-GVDBMIGSSA-N 2 0 355.527 0.373 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001347555030 872389359 /nfs/dbraw/zinc/38/93/59/872389359.db2.gz YFHDFZLCABULKL-CQSZACIVSA-N 2 0 350.463 0.872 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001331705288 873205745 /nfs/dbraw/zinc/20/57/45/873205745.db2.gz BOKYJNWJPUNYBB-JGVFFNPUSA-N 2 0 350.320 0.477 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC001332109992 873378991 /nfs/dbraw/zinc/37/89/91/873378991.db2.gz DXBMZYNOWRGPLL-AWEZNQCLSA-N 2 0 353.417 0.808 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001332568737 873561424 /nfs/dbraw/zinc/56/14/24/873561424.db2.gz ONUCDWAIOUZSMD-RTBURBONSA-N 2 0 355.523 0.379 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574652 873563206 /nfs/dbraw/zinc/56/32/06/873563206.db2.gz WYIWEPVZGWFKSX-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC001333337566 873913385 /nfs/dbraw/zinc/91/33/85/873913385.db2.gz JVSHYXJCDQIVHC-NSHDSACASA-N 2 0 354.405 0.966 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001333359053 873923068 /nfs/dbraw/zinc/92/30/68/873923068.db2.gz CTHGIBPVVAXTAN-HZSPNIEDSA-N 2 0 350.488 0.855 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574918773 948857884 /nfs/dbraw/zinc/85/78/84/948857884.db2.gz QAWLZGNBNMFLSC-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926725 949016048 /nfs/dbraw/zinc/01/60/48/949016048.db2.gz VZOWBERILCHXNJ-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703148 949314164 /nfs/dbraw/zinc/31/41/64/949314164.db2.gz RVUSOSKLFNPEIG-LBPRGKRZSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263817 949408250 /nfs/dbraw/zinc/40/82/50/949408250.db2.gz JWBLHQLZJUAFQF-UKRRQHHQSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957341 949609041 /nfs/dbraw/zinc/60/90/41/949609041.db2.gz VOFSTPKBJHUOIU-DMDPSCGWSA-N 2 0 363.491 0.863 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964071 949765715 /nfs/dbraw/zinc/76/57/15/949765715.db2.gz PINXMJQXXUFUBF-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718456 949783569 /nfs/dbraw/zinc/78/35/69/949783569.db2.gz XKPXPRNLWIDSQN-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576191017 950179403 /nfs/dbraw/zinc/17/94/03/950179403.db2.gz CKAAUOKGFGTXDS-STQMWFEESA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908117 950352343 /nfs/dbraw/zinc/35/23/43/950352343.db2.gz AKSGOHCKYDNFLR-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974260 950402712 /nfs/dbraw/zinc/40/27/12/950402712.db2.gz LOOPZZOJRRXYOO-JKSUJKDBSA-N 2 0 355.446 0.509 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576202533 950428734 /nfs/dbraw/zinc/42/87/34/950428734.db2.gz ANAIIUXOPHLTIG-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204761 950472700 /nfs/dbraw/zinc/47/27/00/950472700.db2.gz BYUAGJIQCVEQQX-BBRMVZONSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204983 950486297 /nfs/dbraw/zinc/48/62/97/950486297.db2.gz FCKJVCWMTCPNBB-RYUDHWBXSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208675 950616991 /nfs/dbraw/zinc/61/69/91/950616991.db2.gz RZBMWIZJKIRRSS-VXGBXAGGSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575093013 951796528 /nfs/dbraw/zinc/79/65/28/951796528.db2.gz GURZKTMQIZMBTR-BBRMVZONSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106100 951901176 /nfs/dbraw/zinc/90/11/76/951901176.db2.gz PYEVIFXEAYIYGA-CQSZACIVSA-N 2 0 357.462 0.804 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107043 951911170 /nfs/dbraw/zinc/91/11/70/951911170.db2.gz XXQCEQHLGYLUNM-BBRMVZONSA-N 2 0 357.462 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077443 952119491 /nfs/dbraw/zinc/11/94/91/952119491.db2.gz AREKEDATLAXLBR-KGLIPLIRSA-N 2 0 370.461 0.428 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077548 952121075 /nfs/dbraw/zinc/12/10/75/952121075.db2.gz CVVDMAJAKMIJKA-CZUORRHYSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078148 952126302 /nfs/dbraw/zinc/12/63/02/952126302.db2.gz MFRPGXLMCGKHQW-ZENOOKHLSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078688 952132716 /nfs/dbraw/zinc/13/27/16/952132716.db2.gz SGOKKQZKWRFCJO-MCIONIFRSA-N 2 0 370.461 0.250 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575145024 952177298 /nfs/dbraw/zinc/17/72/98/952177298.db2.gz OFQNEYYNELNNLK-IUODEOHRSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297503423 214404685 /nfs/dbraw/zinc/40/46/85/214404685.db2.gz MQPHSFXWQQFZNV-KRWDZBQOSA-N 2 0 370.457 0.782 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410431416 529861397 /nfs/dbraw/zinc/86/13/97/529861397.db2.gz HEMZLIWMDDSYSH-QGZVFWFLSA-N 2 0 350.507 0.731 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719230 530064767 /nfs/dbraw/zinc/06/47/67/530064767.db2.gz NPMHWBUTSIHGQI-XLIONFOSSA-N 2 0 362.518 0.875 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752922 674055729 /nfs/dbraw/zinc/05/57/29/674055729.db2.gz XPRFHLTWCRMHOG-OALUTQOASA-N 2 0 355.523 0.381 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331502410 215006379 /nfs/dbraw/zinc/00/63/79/215006379.db2.gz QZZVBPDJKZDSDB-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000331590624 215019782 /nfs/dbraw/zinc/01/97/82/215019782.db2.gz YGWYELDJCOSBNB-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000331620141 215024061 /nfs/dbraw/zinc/02/40/61/215024061.db2.gz FFAFUEIXICXYAN-BRWVUGGUSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCCCC1 ZINC000331711144 215038247 /nfs/dbraw/zinc/03/82/47/215038247.db2.gz KUYXLYZIBAOEPO-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000331783534 215045848 /nfs/dbraw/zinc/04/58/48/215045848.db2.gz MBZRMFZEQMLNIM-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000331863416 215057665 /nfs/dbraw/zinc/05/76/65/215057665.db2.gz KSKJBVBXXDXDTI-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(C2CCC2)CC1 ZINC000265123377 210060658 /nfs/dbraw/zinc/06/06/58/210060658.db2.gz WEUGUCOKLSQQMG-UHFFFAOYSA-N 2 0 354.414 0.903 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000331945270 215070898 /nfs/dbraw/zinc/07/08/98/215070898.db2.gz HBHBBBKVRLLBQD-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000331951931 215072442 /nfs/dbraw/zinc/07/24/42/215072442.db2.gz OZLDMCAMHLNJMZ-LJQANCHMSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000332013770 215078362 /nfs/dbraw/zinc/07/83/62/215078362.db2.gz UETPFKNCDRZSAQ-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000332013773 215078824 /nfs/dbraw/zinc/07/88/24/215078824.db2.gz UETPFKNCDRZSAQ-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000332134073 215099341 /nfs/dbraw/zinc/09/93/41/215099341.db2.gz ITLQRZOZVXLFNJ-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332133197 215099944 /nfs/dbraw/zinc/09/99/44/215099944.db2.gz IPVQGKPYBSLCIB-ZGRYLRDCSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000332321184 215129893 /nfs/dbraw/zinc/12/98/93/215129893.db2.gz LJZAJEORNMMAFP-BBWFWOEESA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000332325351 215130669 /nfs/dbraw/zinc/13/06/69/215130669.db2.gz XEIRNPHXKAJBAF-KLZNWCGWSA-N 2 0 366.506 0.140 20 0 FCADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000332345564 215133716 /nfs/dbraw/zinc/13/37/16/215133716.db2.gz YCGXRHPOCYIJQK-LEUOFYLZSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@@H]1C[NH3+] ZINC000332472789 215157746 /nfs/dbraw/zinc/15/77/46/215157746.db2.gz MUPJFVMXDLKDIH-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332460393 215154910 /nfs/dbraw/zinc/15/49/10/215154910.db2.gz HPKOKXUHIJDLEJ-OTBWCIGPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332519150 215165776 /nfs/dbraw/zinc/16/57/76/215165776.db2.gz JJGWAANBVLJSDO-NVXWUHKLSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332507651 215163006 /nfs/dbraw/zinc/16/30/06/215163006.db2.gz TWRYVEVLHUJRQA-NVXWUHKLSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)C[N@@H+]1C1CC1 ZINC000333214701 215250727 /nfs/dbraw/zinc/25/07/27/215250727.db2.gz CGMQWCLJQRTPNJ-VNHYZAJKSA-N 2 0 353.467 0.489 20 0 FCADRP CS[C@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1[NH+](C)C ZINC000333365830 215271335 /nfs/dbraw/zinc/27/13/35/215271335.db2.gz UIHCSXBWUILSGO-KGLIPLIRSA-N 2 0 365.507 0.396 20 0 FCADRP C[C@@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000333437387 215280598 /nfs/dbraw/zinc/28/05/98/215280598.db2.gz VOBWWYRXVRGQJE-NVXWUHKLSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000333437391 215281200 /nfs/dbraw/zinc/28/12/00/215281200.db2.gz VOBWWYRXVRGQJE-WBVHZDCISA-N 2 0 360.506 0.960 20 0 FCADRP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333488937 215288690 /nfs/dbraw/zinc/28/86/90/215288690.db2.gz DARRXEFGHNVAMY-OWCVQMPJSA-N 2 0 365.522 0.365 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000333488882 215289072 /nfs/dbraw/zinc/28/90/72/215289072.db2.gz IPLQECFJTHXMNG-MRXNPFEDSA-N 2 0 354.495 0.603 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333546676 215296347 /nfs/dbraw/zinc/29/63/47/215296347.db2.gz OQUGYWWLFCSSOW-ZACQAIPSSA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627433 215303221 /nfs/dbraw/zinc/30/32/21/215303221.db2.gz FZUDFYAIPYCPRO-OKZBNKHCSA-N 2 0 367.538 0.563 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333641268 215303396 /nfs/dbraw/zinc/30/33/96/215303396.db2.gz IHQFHZVXXRNXDA-KBPBESRZSA-N 2 0 363.428 0.702 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000333694447 215308593 /nfs/dbraw/zinc/30/85/93/215308593.db2.gz QAYPXUBIOJAYDW-ROUUACIJSA-N 2 0 372.517 0.987 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852293 215324937 /nfs/dbraw/zinc/32/49/37/215324937.db2.gz QFXNNXZKYKCQCE-SQNIBIBYSA-N 2 0 367.538 0.563 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832982 215323034 /nfs/dbraw/zinc/32/30/34/215323034.db2.gz MUNGXRQFCXCDOE-MSOLQXFVSA-N 2 0 367.538 0.422 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000333909560 215330313 /nfs/dbraw/zinc/33/03/13/215330313.db2.gz WMUPGCRGLJFADU-UHFFFAOYSA-N 2 0 368.522 0.851 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000334076097 215341294 /nfs/dbraw/zinc/34/12/94/215341294.db2.gz UVUIWKWQDDZHFB-HOTGVXAUSA-N 2 0 353.511 0.711 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334105023 215343961 /nfs/dbraw/zinc/34/39/61/215343961.db2.gz XVVVHMRFDKUQRQ-ALOPSCKCSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000334117802 215345565 /nfs/dbraw/zinc/34/55/65/215345565.db2.gz IQVAZELIBRUGJA-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334137058 215347962 /nfs/dbraw/zinc/34/79/62/215347962.db2.gz ZFFXHKQQYKZLGA-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000334117801 215345776 /nfs/dbraw/zinc/34/57/76/215345776.db2.gz IQVAZELIBRUGJA-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)C[C@@H]21 ZINC000334122966 215346239 /nfs/dbraw/zinc/34/62/39/215346239.db2.gz MUTUGMHJPXQHKC-SJORKVTESA-N 2 0 365.522 0.129 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334111688 215346321 /nfs/dbraw/zinc/34/63/21/215346321.db2.gz CJZAJOXOUDNSLQ-MRXNPFEDSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1)[N@H+](C)C1CC1 ZINC000285548154 213356715 /nfs/dbraw/zinc/35/67/15/213356715.db2.gz IIHPYPXNSPFKLN-CQSZACIVSA-N 2 0 359.474 0.897 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000285204387 213302159 /nfs/dbraw/zinc/30/21/59/213302159.db2.gz WSEJXIMYKMHBBF-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000284892303 213243135 /nfs/dbraw/zinc/24/31/35/213243135.db2.gz LWCZIRZXZMCWQH-GOSISDBHSA-N 2 0 373.501 0.715 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000284615092 213181175 /nfs/dbraw/zinc/18/11/75/213181175.db2.gz ZHQNKKAFXUDHMH-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCCC1 ZINC000284599814 213176964 /nfs/dbraw/zinc/17/69/64/213176964.db2.gz XLDSFLMZUIAWQH-OAHLLOKOSA-N 2 0 359.474 0.767 20 0 FCADRP O=C(NCCn1ccnc1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000284166424 213088563 /nfs/dbraw/zinc/08/85/63/213088563.db2.gz YUYQCEVABIEHGC-UHFFFAOYSA-N 2 0 355.442 0.734 20 0 FCADRP O=C(NCCn1ccnc1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000283908685 213032682 /nfs/dbraw/zinc/03/26/82/213032682.db2.gz LEHRCVYXTBFXFZ-QGZVFWFLSA-N 2 0 355.442 0.780 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283867491 213022807 /nfs/dbraw/zinc/02/28/07/213022807.db2.gz BUCIDLICSOLBNP-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871672 216045322 /nfs/dbraw/zinc/04/53/22/216045322.db2.gz VBSSEVKQSXJLFO-OAHLLOKOSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030319 216065736 /nfs/dbraw/zinc/06/57/36/216065736.db2.gz PYLPXXVQDJZHCM-JKSUJKDBSA-N 2 0 365.522 0.665 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174224 216086090 /nfs/dbraw/zinc/08/60/90/216086090.db2.gz PJPUNHBNQPYIFM-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)NCC(C)(C)N1CCOCC1 ZINC000367598908 216140707 /nfs/dbraw/zinc/14/07/07/216140707.db2.gz AQUTYDVZWAPCDG-BBZRVKOSSA-N 2 0 351.491 0.569 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246473598 209391052 /nfs/dbraw/zinc/39/10/52/209391052.db2.gz QWYCHFSYJIXPNG-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236794835 209344015 /nfs/dbraw/zinc/34/40/15/209344015.db2.gz LRCJOAXJZLUYBD-HNNXBMFYSA-N 2 0 350.467 0.289 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368705334 216285264 /nfs/dbraw/zinc/28/52/64/216285264.db2.gz ZRRATLFROAKYNH-OWCLPIDISA-N 2 0 354.495 0.336 20 0 FCADRP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327070 /nfs/dbraw/zinc/32/70/70/216327070.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 2 0 362.518 0.938 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000368980950 216328707 /nfs/dbraw/zinc/32/87/07/216328707.db2.gz NKPNEADFOPDXNC-QZTJIDSGSA-N 2 0 368.522 0.728 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048124 216339698 /nfs/dbraw/zinc/33/96/98/216339698.db2.gz SJSDQJMKIVYZHP-KSZLIROESA-N 2 0 367.538 0.421 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188748903 209239363 /nfs/dbraw/zinc/23/93/63/209239363.db2.gz JWQPIZADFOBVEI-GASCZTMLSA-N 2 0 360.506 0.686 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188308818 209229158 /nfs/dbraw/zinc/22/91/58/209229158.db2.gz XTXPXKMVTNKRAY-HNAYVOBHSA-N 2 0 362.474 0.789 20 0 FCADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276638103 212269450 /nfs/dbraw/zinc/26/94/50/212269450.db2.gz LWQSYWYAUZSLLF-RCCFBDPRSA-N 2 0 373.501 0.165 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187979759 209221246 /nfs/dbraw/zinc/22/12/46/209221246.db2.gz FGEPHMRTWUTIIV-RBUKOAKNSA-N 2 0 360.502 0.817 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C)nc1 ZINC000276084270 212156104 /nfs/dbraw/zinc/15/61/04/212156104.db2.gz USIMHNMDEUSRNJ-INIZCTEOSA-N 2 0 362.478 0.598 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000185600169 209180423 /nfs/dbraw/zinc/18/04/23/209180423.db2.gz IXZCZORZYSOEBQ-UHFFFAOYSA-N 2 0 350.463 0.426 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275436656 212027760 /nfs/dbraw/zinc/02/77/60/212027760.db2.gz JRRVFJYWHSCUNO-INIZCTEOSA-N 2 0 362.474 0.566 20 0 FCADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000414838263 245324154 /nfs/dbraw/zinc/32/41/54/245324154.db2.gz LEKYPXDALBVFGK-OAHLLOKOSA-N 2 0 365.474 0.878 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414852386 245326516 /nfs/dbraw/zinc/32/65/16/245326516.db2.gz JYBVJSBAKVSMQY-SFHVURJKSA-N 2 0 374.485 0.480 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000415291019 245380779 /nfs/dbraw/zinc/38/07/79/245380779.db2.gz FTXOSULVUMFSMJ-OAHLLOKOSA-N 2 0 359.474 0.635 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH2+]C)c(C)c2)CC1 ZINC000415303173 245381805 /nfs/dbraw/zinc/38/18/05/245381805.db2.gz DPIPMBUVNOPMKY-UHFFFAOYSA-N 2 0 361.490 0.801 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000415322788 245385353 /nfs/dbraw/zinc/38/53/53/245385353.db2.gz BZEFAICGNKGURT-HNNXBMFYSA-N 2 0 362.474 0.990 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179939 217106055 /nfs/dbraw/zinc/10/60/55/217106055.db2.gz XEFODQXLUBKVGV-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363235 217121875 /nfs/dbraw/zinc/12/18/75/217121875.db2.gz PNEGHVVICAFFJK-SJORKVTESA-N 2 0 350.507 0.587 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000187192255 209205279 /nfs/dbraw/zinc/20/52/79/209205279.db2.gz PHQDTGHRFOKRDM-IAGOWNOFSA-N 2 0 370.538 0.830 20 0 FCADRP Cn1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc(=O)n(C)c1=O ZINC000182979458 209140611 /nfs/dbraw/zinc/14/06/11/209140611.db2.gz PLHGNPWHFRMZCD-UHFFFAOYSA-N 2 0 364.490 0.408 20 0 FCADRP CCN1C(=O)[C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCN2C1=O ZINC000375596063 217289375 /nfs/dbraw/zinc/28/93/75/217289375.db2.gz HCJPPTPOZYKIRI-MRXNPFEDSA-N 2 0 351.495 0.371 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417033428 245664439 /nfs/dbraw/zinc/66/44/39/245664439.db2.gz RAJBUOYVXWCAPJ-KRWDZBQOSA-N 2 0 367.538 0.995 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000417548591 245707938 /nfs/dbraw/zinc/70/79/38/245707938.db2.gz QZMQPMOUGSOVFT-ROUUACIJSA-N 2 0 373.501 0.887 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418306103 245775749 /nfs/dbraw/zinc/77/57/49/245775749.db2.gz QKGVUJZKHIJZLF-PBHICJAKSA-N 2 0 367.444 0.615 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418608441 245803884 /nfs/dbraw/zinc/80/38/84/245803884.db2.gz DSYVENOEUUVEEG-CYBMUJFWSA-N 2 0 365.444 0.996 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000418629718 245808789 /nfs/dbraw/zinc/80/87/89/245808789.db2.gz CNHAEIYEOYBOQK-AEFFLSMTSA-N 2 0 356.511 0.897 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418609594 245802869 /nfs/dbraw/zinc/80/28/69/245802869.db2.gz GAWVVNWSWMBUJP-AVGNSLFASA-N 2 0 351.417 0.591 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418865384 245877320 /nfs/dbraw/zinc/87/73/20/245877320.db2.gz RRNKXHGOUKPWJE-PBHICJAKSA-N 2 0 362.474 0.530 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000418968814 245931500 /nfs/dbraw/zinc/93/15/00/245931500.db2.gz UXXOKYOGQTVUIR-UHFFFAOYSA-N 2 0 374.485 0.775 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419103973 245983345 /nfs/dbraw/zinc/98/33/45/245983345.db2.gz GUVCAWCVPGHYCX-KBAYOESNSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000419153871 246019403 /nfs/dbraw/zinc/01/94/03/246019403.db2.gz PGJLGFSAGIFTDI-OAHLLOKOSA-N 2 0 355.442 0.562 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000419151131 246020546 /nfs/dbraw/zinc/02/05/46/246020546.db2.gz NDHGZJIOIHGATA-BBRMVZONSA-N 2 0 364.515 0.930 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419134920 246008825 /nfs/dbraw/zinc/00/88/25/246008825.db2.gz LGDIOCZNKMHVFV-HNNXBMFYSA-N 2 0 364.515 0.945 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419134656 246009001 /nfs/dbraw/zinc/00/90/01/246009001.db2.gz KNTWIXDEFHHEPW-AWEZNQCLSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419135625 246009038 /nfs/dbraw/zinc/00/90/38/246009038.db2.gz NJPCSPKKNJCVDV-ZDUSSCGKSA-N 2 0 352.504 0.787 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419162678 246025917 /nfs/dbraw/zinc/02/59/17/246025917.db2.gz HRXUFQVIFBUYAL-WBVHZDCISA-N 2 0 362.474 0.105 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419150191 246017857 /nfs/dbraw/zinc/01/78/57/246017857.db2.gz KWJMXCVWINSCJA-IXDOHACOSA-N 2 0 350.507 0.539 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)cc1 ZINC000419160621 246026906 /nfs/dbraw/zinc/02/69/06/246026906.db2.gz QAMFZFGUZZHOIF-QGZVFWFLSA-N 2 0 362.474 0.028 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000419166062 246028842 /nfs/dbraw/zinc/02/88/42/246028842.db2.gz OAOCGENAOAVILB-KRWDZBQOSA-N 2 0 374.485 0.391 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419172824 246033252 /nfs/dbraw/zinc/03/32/52/246033252.db2.gz RRHFYEASIQEHEE-RBUKOAKNSA-N 2 0 372.513 0.783 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000419180210 246037443 /nfs/dbraw/zinc/03/74/43/246037443.db2.gz ADZCTFFHSIAAOM-MRXNPFEDSA-N 2 0 362.449 0.856 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419180864 246038744 /nfs/dbraw/zinc/03/87/44/246038744.db2.gz AXCJKJVRAIXUBR-MRXNPFEDSA-N 2 0 367.538 0.023 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419185093 246040650 /nfs/dbraw/zinc/04/06/50/246040650.db2.gz GRDDSPKNMRXOJH-MRXNPFEDSA-N 2 0 358.486 0.896 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000419186907 246040694 /nfs/dbraw/zinc/04/06/94/246040694.db2.gz FIZCEWNCSNSRGG-NVXWUHKLSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419211063 246057553 /nfs/dbraw/zinc/05/75/53/246057553.db2.gz YRPXAGZQMMWDDA-RDJZCZTQSA-N 2 0 362.474 0.199 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213905 246059125 /nfs/dbraw/zinc/05/91/25/246059125.db2.gz WZUVIMFWTYJVCC-ROUUACIJSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419215893 246059688 /nfs/dbraw/zinc/05/96/88/246059688.db2.gz OKCZZHRAOSJTGD-SJORKVTESA-N 2 0 374.485 0.311 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419220666 246061479 /nfs/dbraw/zinc/06/14/79/246061479.db2.gz VGJNSEWMNNEWTI-QGZVFWFLSA-N 2 0 362.474 0.329 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223469 246061699 /nfs/dbraw/zinc/06/16/99/246061699.db2.gz DAMBXHVHIMUISW-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419223121 246062584 /nfs/dbraw/zinc/06/25/84/246062584.db2.gz CLCSPKCWMINDTM-HYVNUMGLSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419205314 246052728 /nfs/dbraw/zinc/05/27/28/246052728.db2.gz JWBSVZXACJGLMR-RVKKMQEKSA-N 2 0 374.485 0.390 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419269700 246083049 /nfs/dbraw/zinc/08/30/49/246083049.db2.gz PALFSFDMOPCHBU-GOSISDBHSA-N 2 0 374.485 0.393 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419233222 246071311 /nfs/dbraw/zinc/07/13/11/246071311.db2.gz VWRYLQKFZDMBHY-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419249746 246076064 /nfs/dbraw/zinc/07/60/64/246076064.db2.gz PLVGCAMRQQHQEA-LISAXSMJSA-N 2 0 360.502 0.970 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000419264841 246080803 /nfs/dbraw/zinc/08/08/03/246080803.db2.gz CENNRAYADVPVEJ-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCO1 ZINC000419265415 246081697 /nfs/dbraw/zinc/08/16/97/246081697.db2.gz DRWQPEGJQSIDAI-SFHVURJKSA-N 2 0 374.485 0.475 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329936 246099673 /nfs/dbraw/zinc/09/96/73/246099673.db2.gz HKHXSDZRZAOWRK-XGWTYTTDSA-N 2 0 374.460 0.678 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C[NH3+] ZINC000419347721 246107834 /nfs/dbraw/zinc/10/78/34/246107834.db2.gz XHGQZWVVFKJAMZ-CRAIPNDOSA-N 2 0 373.501 0.748 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419361638 246118787 /nfs/dbraw/zinc/11/87/87/246118787.db2.gz BDUCTWRRIUQDOI-MAUKXSAKSA-N 2 0 372.513 0.645 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419374818 246122618 /nfs/dbraw/zinc/12/26/18/246122618.db2.gz PIZMXPYJUHTSIY-YJBOKZPZSA-N 2 0 372.513 0.930 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000419373949 246122698 /nfs/dbraw/zinc/12/26/98/246122698.db2.gz OYUUUZNQEAEKPW-BBWFWOEESA-N 2 0 350.507 0.537 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000419380007 246124452 /nfs/dbraw/zinc/12/44/52/246124452.db2.gz WSJCOCIASLAIIF-GJZGRUSLSA-N 2 0 358.486 0.411 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000419375694 246124584 /nfs/dbraw/zinc/12/45/84/246124584.db2.gz RZAYTPNTFMRMBL-ZACQAIPSSA-N 2 0 350.507 0.679 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000419382280 246127984 /nfs/dbraw/zinc/12/79/84/246127984.db2.gz YPMLOVSUGSKHLW-MSOLQXFVSA-N 2 0 370.497 0.555 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419412376 246146798 /nfs/dbraw/zinc/14/67/98/246146798.db2.gz RCKSTUVHEKXMGC-MAUKXSAKSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000419416477 246149161 /nfs/dbraw/zinc/14/91/61/246149161.db2.gz WCICNNMMXMRLFM-KMFMINBZSA-N 2 0 364.465 0.988 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419415598 246150590 /nfs/dbraw/zinc/15/05/90/246150590.db2.gz VJNPCUSUQCZTES-ZWKOTPCHSA-N 2 0 358.486 0.788 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000419404279 246136630 /nfs/dbraw/zinc/13/66/30/246136630.db2.gz FRZLLEBPXRJNTO-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404624 246139812 /nfs/dbraw/zinc/13/98/12/246139812.db2.gz UDVDWCZNGREINA-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000419406607 246140188 /nfs/dbraw/zinc/14/01/88/246140188.db2.gz JFNINMRVAVWEHA-YJBOKZPZSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407756 246142374 /nfs/dbraw/zinc/14/23/74/246142374.db2.gz YZXUMPSJEDBKGU-RYRKJORJSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000419410135 246145823 /nfs/dbraw/zinc/14/58/23/246145823.db2.gz OGDKZDHIUOFZEI-IXDOHACOSA-N 2 0 362.449 0.898 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422158 246154918 /nfs/dbraw/zinc/15/49/18/246154918.db2.gz QEFWFZASGUPRSN-KRWDZBQOSA-N 2 0 373.501 0.135 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419421535 246155336 /nfs/dbraw/zinc/15/53/36/246155336.db2.gz LMJWVCVGUHLFSY-JKSUJKDBSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419424052 246157425 /nfs/dbraw/zinc/15/74/25/246157425.db2.gz NUNUEYNKXAZCLF-IYBDPMFKSA-N 2 0 352.523 0.977 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419426257 246157646 /nfs/dbraw/zinc/15/76/46/246157646.db2.gz QOPNWFVQIWOJPJ-MRXNPFEDSA-N 2 0 358.486 0.667 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419433995 246162121 /nfs/dbraw/zinc/16/21/21/246162121.db2.gz ZYTKJFBVBIRPJS-IRXDYDNUSA-N 2 0 360.458 0.044 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419419426 246151519 /nfs/dbraw/zinc/15/15/19/246151519.db2.gz ZHJWQZWEEQRNDJ-QZTJIDSGSA-N 2 0 358.486 0.808 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419503812 246182518 /nfs/dbraw/zinc/18/25/18/246182518.db2.gz FHQJPQQFJFFNEW-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419504500 246182589 /nfs/dbraw/zinc/18/25/89/246182589.db2.gz GSYLDPSFLYTAJQ-FHWLQOOXSA-N 2 0 370.497 0.693 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000419517008 246187871 /nfs/dbraw/zinc/18/78/71/246187871.db2.gz VRMDYMNBCIFPRO-QGZVFWFLSA-N 2 0 373.501 0.183 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475416 246175632 /nfs/dbraw/zinc/17/56/32/246175632.db2.gz DQQCXVQDZWPOED-OAGGEKHMSA-N 2 0 368.522 0.844 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419474832 246175911 /nfs/dbraw/zinc/17/59/11/246175911.db2.gz CQCBFYVTEUTMOY-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419474882 246176852 /nfs/dbraw/zinc/17/68/52/246176852.db2.gz CTMQCAYDUZQQAC-OWCLPIDISA-N 2 0 368.522 0.986 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419477002 246177257 /nfs/dbraw/zinc/17/72/57/246177257.db2.gz HDHBKQGANRGUPH-BRWVUGGUSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419477803 246178354 /nfs/dbraw/zinc/17/83/54/246178354.db2.gz ITJNTQKWIMWQSD-VQHPVUNQSA-N 2 0 350.507 0.681 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419479845 246179069 /nfs/dbraw/zinc/17/90/69/246179069.db2.gz MAJLVARFLGGUAA-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419586763 246211535 /nfs/dbraw/zinc/21/15/35/246211535.db2.gz CZLGEYHQFRPHLT-HNNXBMFYSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419536582 246194658 /nfs/dbraw/zinc/19/46/58/246194658.db2.gz USSMLGMSAMIVQZ-UBDQQSCGSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536872 246194738 /nfs/dbraw/zinc/19/47/38/246194738.db2.gz VAKBGFUFHBHHMP-AHCXZYCDSA-N 2 0 358.486 0.880 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533369 246195466 /nfs/dbraw/zinc/19/54/66/246195466.db2.gz OUDJNMKKGPDAPY-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534746 246195759 /nfs/dbraw/zinc/19/57/59/246195759.db2.gz QQCRWQVYDLKEDC-RDJZCZTQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649698 246231404 /nfs/dbraw/zinc/23/14/04/246231404.db2.gz UIGMHOWLXIJIAZ-WFASDCNBSA-N 2 0 352.479 0.206 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCCC1 ZINC000419720635 246269757 /nfs/dbraw/zinc/26/97/57/246269757.db2.gz YPKYTGCELYMGIG-LTIDMASMSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419674114 246240834 /nfs/dbraw/zinc/24/08/34/246240834.db2.gz JRMZWEULLRLZJN-MRXNPFEDSA-N 2 0 366.506 0.254 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419687399 246249715 /nfs/dbraw/zinc/24/97/15/246249715.db2.gz PHVKNGDAFIBOBL-HNNXBMFYSA-N 2 0 352.479 0.087 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419703334 246259136 /nfs/dbraw/zinc/25/91/36/246259136.db2.gz DHEPOEIPNFXXCA-AHCXZYCDSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702415 246259358 /nfs/dbraw/zinc/25/93/58/246259358.db2.gz BTOIKIMNMIOTEJ-LULLPPNCSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000419706314 246261994 /nfs/dbraw/zinc/26/19/94/246261994.db2.gz CTYFCWFUIDZGPY-QAPCUYQASA-N 2 0 360.502 0.993 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419717891 246267524 /nfs/dbraw/zinc/26/75/24/246267524.db2.gz CILJPRZJYJUROC-ZWKOTPCHSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757850 246285158 /nfs/dbraw/zinc/28/51/58/246285158.db2.gz JAZZRQBCOFQREY-UONOGXRCSA-N 2 0 350.438 0.583 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419755854 246287291 /nfs/dbraw/zinc/28/72/91/246287291.db2.gz FMJWRQVMSYHCKQ-UHFFFAOYSA-N 2 0 362.449 0.800 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760817 246289602 /nfs/dbraw/zinc/28/96/02/246289602.db2.gz OHNPWCDROOPMPC-JKSUJKDBSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000419765640 246290337 /nfs/dbraw/zinc/29/03/37/246290337.db2.gz QNLXRMLVYPGEQH-OLMNPRSZSA-N 2 0 358.486 0.819 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000419804279 246300650 /nfs/dbraw/zinc/30/06/50/246300650.db2.gz CYGOBEJAJAMGRB-INIZCTEOSA-N 2 0 362.474 0.802 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000419804261 246301210 /nfs/dbraw/zinc/30/12/10/246301210.db2.gz CWZMSFQPPHWPQU-HRCADAONSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419727491 246272469 /nfs/dbraw/zinc/27/24/69/246272469.db2.gz LNQQVUFHRATBHL-CRAIPNDOSA-N 2 0 374.485 0.514 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419738642 246278797 /nfs/dbraw/zinc/27/87/97/246278797.db2.gz VDBZFEYMUPDUEO-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419867795 246338415 /nfs/dbraw/zinc/33/84/15/246338415.db2.gz QOXNAQGBWMVFHW-GOSISDBHSA-N 2 0 358.486 0.632 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419834001 246312636 /nfs/dbraw/zinc/31/26/36/246312636.db2.gz ZWCXVNMRTLWHRM-GOSISDBHSA-N 2 0 374.485 0.770 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419837248 246313235 /nfs/dbraw/zinc/31/32/35/246313235.db2.gz CSBOQGNRSWRZTN-INIZCTEOSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419852986 246325162 /nfs/dbraw/zinc/32/51/62/246325162.db2.gz AJIDHLOXVHGNCD-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419872787 246341729 /nfs/dbraw/zinc/34/17/29/246341729.db2.gz FKGSOHFPCHWHDM-NXHRZFHOSA-N 2 0 358.486 0.976 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419864736 246332564 /nfs/dbraw/zinc/33/25/64/246332564.db2.gz GBJHPGKLACVZIQ-ARFHVFGLSA-N 2 0 354.495 0.332 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)CC1 ZINC000419865513 246336364 /nfs/dbraw/zinc/33/63/64/246336364.db2.gz PHXFUKGURBIYIY-NVXWUHKLSA-N 2 0 350.507 0.810 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000419867796 246337666 /nfs/dbraw/zinc/33/76/66/246337666.db2.gz CXYDODCGKYAPFF-HUUCEWRRSA-N 2 0 350.463 0.864 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)o1 ZINC000419914013 246366529 /nfs/dbraw/zinc/36/65/29/246366529.db2.gz NNWVZBCYBWQARO-OAHLLOKOSA-N 2 0 350.463 0.594 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933266 246374444 /nfs/dbraw/zinc/37/44/44/246374444.db2.gz GGVCEEQTTMLTGW-OAHLLOKOSA-N 2 0 352.504 0.897 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000419895118 246356776 /nfs/dbraw/zinc/35/67/76/246356776.db2.gz OPONFHKDDLYHMV-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419905082 246361100 /nfs/dbraw/zinc/36/11/00/246361100.db2.gz UPJFWOUYHPOVPW-ULQDDVLXSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419974003 246397530 /nfs/dbraw/zinc/39/75/30/246397530.db2.gz IPYIFDFUPQRWLH-LZLYRXPVSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419980109 246399288 /nfs/dbraw/zinc/39/92/88/246399288.db2.gz RDWQVCGDXOYZCG-KRWDZBQOSA-N 2 0 368.522 0.579 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419982918 246402179 /nfs/dbraw/zinc/40/21/79/246402179.db2.gz UHVURDOMSJJNGX-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000419991523 246403817 /nfs/dbraw/zinc/40/38/17/246403817.db2.gz DLJLIAUQIDLFEM-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000420381040 246554152 /nfs/dbraw/zinc/55/41/52/246554152.db2.gz RQIMHXKIAMSMLA-IBGZPJMESA-N 2 0 358.490 0.591 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423372220 247013839 /nfs/dbraw/zinc/01/38/39/247013839.db2.gz ICMYISNCWFOIHL-AEFFLSMTSA-N 2 0 374.485 0.296 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423380235 247015581 /nfs/dbraw/zinc/01/55/81/247015581.db2.gz NKVGCPWIQGYXLU-DLBZAZTESA-N 2 0 358.486 0.930 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423390753 247017551 /nfs/dbraw/zinc/01/75/51/247017551.db2.gz MTQYMHFYAGUYNG-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000423384380 247017949 /nfs/dbraw/zinc/01/79/49/247017949.db2.gz LDDTYICIHOVQJO-ZIFCJYIRSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423416070 247021396 /nfs/dbraw/zinc/02/13/96/247021396.db2.gz QAGLXSUBNSOZDM-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423413202 247022569 /nfs/dbraw/zinc/02/25/69/247022569.db2.gz JSLFNNGYMCYRLQ-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)CC1 ZINC000423205819 246979242 /nfs/dbraw/zinc/97/92/42/246979242.db2.gz PRMWUNZYYDCNSN-SJORKVTESA-N 2 0 350.507 0.907 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423557777 247051266 /nfs/dbraw/zinc/05/12/66/247051266.db2.gz COIJRHCSGZXWRJ-FXAWDEMLSA-N 2 0 374.485 0.032 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423588670 247066186 /nfs/dbraw/zinc/06/61/86/247066186.db2.gz BBMJRKSBBVNGEV-FUHWJXTLSA-N 2 0 358.486 0.787 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423417548 247024335 /nfs/dbraw/zinc/02/43/35/247024335.db2.gz SQNFTCYKZSXMSE-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423433418 247025690 /nfs/dbraw/zinc/02/56/90/247025690.db2.gz CIZPHNIEBQTSRL-QGZVFWFLSA-N 2 0 350.507 0.908 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000423440321 247027047 /nfs/dbraw/zinc/02/70/47/247027047.db2.gz INTJLKRJZIQOSQ-IXDOHACOSA-N 2 0 368.522 0.389 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423450744 247029640 /nfs/dbraw/zinc/02/96/40/247029640.db2.gz UDYHBBVSHHPGBR-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000423449814 247029912 /nfs/dbraw/zinc/02/99/12/247029912.db2.gz SFEDHYMFXMZUOR-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000423453805 247030911 /nfs/dbraw/zinc/03/09/11/247030911.db2.gz YGSGQFVVKJNBNP-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423483700 247034831 /nfs/dbraw/zinc/03/48/31/247034831.db2.gz SWQYAMTVYCUOTB-CALCHBBNSA-N 2 0 374.485 0.263 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000423496430 247036598 /nfs/dbraw/zinc/03/65/98/247036598.db2.gz DUBSGUIWWPHXOV-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423620328 247078656 /nfs/dbraw/zinc/07/86/56/247078656.db2.gz WNJLFGWXNRQRMG-RCCFBDPRSA-N 2 0 356.470 0.527 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423653424 247093781 /nfs/dbraw/zinc/09/37/81/247093781.db2.gz ZSLZAOBYFKGWKX-DYESRHJHSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423659560 247099277 /nfs/dbraw/zinc/09/92/77/247099277.db2.gz ZPJUZNINRDJUID-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423788623 247141158 /nfs/dbraw/zinc/14/11/58/247141158.db2.gz YALSVJSUDFFOHM-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP CN(C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C1(C[NH3+])CCC1 ZINC000423705837 247117339 /nfs/dbraw/zinc/11/73/39/247117339.db2.gz PMEFMJYQIMWXHK-OAHLLOKOSA-N 2 0 352.479 0.040 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1C[NH3+] ZINC000423716520 247122867 /nfs/dbraw/zinc/12/28/67/247122867.db2.gz AAUWWCHULNWFNF-OIISXLGYSA-N 2 0 350.507 0.763 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1c1ccccc1F ZINC000423715525 247123303 /nfs/dbraw/zinc/12/33/03/247123303.db2.gz UOHSARXOXVYYEP-UWWQBHOKSA-N 2 0 372.444 0.552 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423723301 247125891 /nfs/dbraw/zinc/12/58/91/247125891.db2.gz HCXUDBNAFWPOCR-HZPDHXFCSA-N 2 0 362.474 0.628 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H]1C[NH3+] ZINC000423728541 247128556 /nfs/dbraw/zinc/12/85/56/247128556.db2.gz JVDDJEKGUADFLJ-WBVHZDCISA-N 2 0 368.522 0.532 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423740673 247134105 /nfs/dbraw/zinc/13/41/05/247134105.db2.gz GVCQBJDCPIVCDI-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423740454 247134668 /nfs/dbraw/zinc/13/46/68/247134668.db2.gz IYEUTRXTWDMJTC-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@H]1C[NH3+] ZINC000423741753 247135199 /nfs/dbraw/zinc/13/51/99/247135199.db2.gz SWXWNXRRLNJSSC-ZBFHGGJFSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@@H]1C[NH3+] ZINC000423741229 247135328 /nfs/dbraw/zinc/13/53/28/247135328.db2.gz SPQXJEKLNXTKEC-GVDBMIGSSA-N 2 0 366.506 0.143 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424513204 247245242 /nfs/dbraw/zinc/24/52/42/247245242.db2.gz XEQMPFJTAUJKNK-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1)CC[NH2+]CC2 ZINC000424532042 247253001 /nfs/dbraw/zinc/25/30/01/247253001.db2.gz XMHQYKJXAYOFEB-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000424434882 247214367 /nfs/dbraw/zinc/21/43/67/247214367.db2.gz DUTIVCALIYSULX-UHFFFAOYSA-N 2 0 373.501 0.632 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000424474456 247231120 /nfs/dbraw/zinc/23/11/20/247231120.db2.gz XLDXWGKJQDVGOV-ZWKOTPCHSA-N 2 0 374.485 0.886 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425387828 247330001 /nfs/dbraw/zinc/33/00/01/247330001.db2.gz NWYOZLSWPVBPPL-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH2+]CCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000435870897 248023959 /nfs/dbraw/zinc/02/39/59/248023959.db2.gz POMDYIXBCGRSIG-UHFFFAOYSA-N 2 0 354.476 0.594 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000439131708 248111162 /nfs/dbraw/zinc/11/11/62/248111162.db2.gz IHHBOCBJEKVNSV-WBVHZDCISA-N 2 0 361.552 0.995 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000439164496 248112996 /nfs/dbraw/zinc/11/29/96/248112996.db2.gz BTHAORWYFBNLIN-WBVHZDCISA-N 2 0 368.522 0.483 20 0 FCADRP COc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443512301 248330360 /nfs/dbraw/zinc/33/03/60/248330360.db2.gz SXQUHWSUIYWALA-ZQDZILKHSA-N 2 0 363.510 0.938 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c[nH]1 ZINC000444195161 248350608 /nfs/dbraw/zinc/35/06/08/248350608.db2.gz NNHHGJBDKZCWPI-UHFFFAOYSA-N 2 0 372.491 0.448 20 0 FCADRP C[C@H](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000452565917 249322410 /nfs/dbraw/zinc/32/24/10/249322410.db2.gz NKWPUVBEKKZRTB-UTSKFRMZSA-N 2 0 352.523 0.783 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780726 249332976 /nfs/dbraw/zinc/33/29/76/249332976.db2.gz HRASZLZJEOYNPO-KRWDZBQOSA-N 2 0 353.507 0.985 20 0 FCADRP C[NH+](CCNC(=O)c1ccoc1CC(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000270821606 211275069 /nfs/dbraw/zinc/27/50/69/211275069.db2.gz OHUFXFUZBUCISN-UHFFFAOYSA-N 2 0 362.474 0.857 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)NCC2(O)CC[NH+](C)CC2)ccn1 ZINC000270663558 211242520 /nfs/dbraw/zinc/24/25/20/211242520.db2.gz NVPNRVWXYDLZNJ-UHFFFAOYSA-N 2 0 365.478 0.278 20 0 FCADRP NC(=O)c1csc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469862876 250009724 /nfs/dbraw/zinc/00/97/24/250009724.db2.gz BAUVFBUFYSVSRT-SWLSCSKDSA-N 2 0 350.488 0.927 20 0 FCADRP COC(=O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@@H]1C ZINC000469999497 250019541 /nfs/dbraw/zinc/01/95/41/250019541.db2.gz LDBDLYQBUJYXJQ-GEEKYZPCSA-N 2 0 368.474 0.770 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cn1 ZINC000470369910 250038093 /nfs/dbraw/zinc/03/80/93/250038093.db2.gz ROXFUEDUSXSXSH-UHFFFAOYSA-N 2 0 356.430 0.416 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1 ZINC000471076596 250090173 /nfs/dbraw/zinc/09/01/73/250090173.db2.gz WHWYWUIARFWOSM-INIZCTEOSA-N 2 0 350.463 0.506 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000472172578 250136631 /nfs/dbraw/zinc/13/66/31/250136631.db2.gz OJAOKJIIYDNBTP-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000472668114 250171838 /nfs/dbraw/zinc/17/18/38/250171838.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 0 369.510 0.886 20 0 FCADRP CC(=O)N1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000474008698 250264282 /nfs/dbraw/zinc/26/42/82/250264282.db2.gz KXRPWFLDXUUISO-KRWDZBQOSA-N 2 0 374.489 0.514 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCSC1 ZINC000481797633 250361822 /nfs/dbraw/zinc/36/18/22/250361822.db2.gz SLACQMGCHXAZHH-CJNGLKHVSA-N 2 0 357.524 0.063 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500460295 250818950 /nfs/dbraw/zinc/81/89/50/250818950.db2.gz XQXHGVSRUIZQSJ-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+](C)C1 ZINC000413049985 532991980 /nfs/dbraw/zinc/99/19/80/532991980.db2.gz UHQYYBREXZJOFR-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+](C)C1 ZINC000413511821 532995703 /nfs/dbraw/zinc/99/57/03/532995703.db2.gz XEDGAEWXNNXKKE-HUUCEWRRSA-N 2 0 354.495 0.853 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000074198965 208051054 /nfs/dbraw/zinc/05/10/54/208051054.db2.gz VCHYEAQSAXFYKC-IBGZPJMESA-N 2 0 372.513 0.961 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000074223538 208055377 /nfs/dbraw/zinc/05/53/77/208055377.db2.gz KNTWESDQFCQLED-MRXNPFEDSA-N 2 0 373.501 0.572 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077594366 208072687 /nfs/dbraw/zinc/07/26/87/208072687.db2.gz MIVLHZAKULHGTJ-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000089393417 208122564 /nfs/dbraw/zinc/12/25/64/208122564.db2.gz NHMPGCTYIIRSTM-KRWDZBQOSA-N 2 0 373.501 0.824 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000105323361 208197336 /nfs/dbraw/zinc/19/73/36/208197336.db2.gz OLRQIVDOHXXCJD-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000107371422 208242054 /nfs/dbraw/zinc/24/20/54/208242054.db2.gz JJYLZNGGRQBJJL-OAHLLOKOSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000119219949 208355483 /nfs/dbraw/zinc/35/54/83/208355483.db2.gz AMLCNHZNBVJYNY-KZNAEPCWSA-N 2 0 351.539 0.996 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000119818011 208367312 /nfs/dbraw/zinc/36/73/12/208367312.db2.gz FWIZYXFUUIIVRU-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)CN1CCOCC1 ZINC000120923590 208394417 /nfs/dbraw/zinc/39/44/17/208394417.db2.gz JZLKRSGZSOCWDM-CQSZACIVSA-N 2 0 360.458 0.655 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266663360 210377074 /nfs/dbraw/zinc/37/70/74/210377074.db2.gz HURKWDMNANHVRR-HNNXBMFYSA-N 2 0 352.398 0.679 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000176383230 209002829 /nfs/dbraw/zinc/00/28/29/209002829.db2.gz GCPAVNVVJAHMCC-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000177509287 209026250 /nfs/dbraw/zinc/02/62/50/209026250.db2.gz XAHDVVCGPKAXEP-GASCZTMLSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186477874 533246318 /nfs/dbraw/zinc/24/63/18/533246318.db2.gz WUPOGYKQJQENPU-SNRMKQJTSA-N 2 0 361.486 0.583 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@H+](C)C1 ZINC000413171914 533479088 /nfs/dbraw/zinc/47/90/88/533479088.db2.gz NYADBTSSYWGJHP-KRWDZBQOSA-N 2 0 362.474 0.865 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+](C)C1 ZINC000413253048 533480121 /nfs/dbraw/zinc/48/01/21/533480121.db2.gz TZHMVQBRSGEYOG-HOTGVXAUSA-N 2 0 354.495 0.853 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156162319 229190491 /nfs/dbraw/zinc/19/04/91/229190491.db2.gz GQVMOIUYBRGIHY-MSOLQXFVSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH+](C)CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CCCC1 ZINC000162901941 229200624 /nfs/dbraw/zinc/20/06/24/229200624.db2.gz GKUHIMFYHKGUSW-UHFFFAOYSA-N 2 0 364.494 0.716 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187334702 229239945 /nfs/dbraw/zinc/23/99/45/229239945.db2.gz OJXLWTJWWZDVCG-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000189439892 229255272 /nfs/dbraw/zinc/25/52/72/229255272.db2.gz QPLOLAAEQKSNIO-CVEARBPZSA-N 2 0 369.535 0.919 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410474957 230093904 /nfs/dbraw/zinc/09/39/04/230093904.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 2 0 367.538 0.023 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000410503490 230108731 /nfs/dbraw/zinc/10/87/31/230108731.db2.gz NHGYGYHYKROBIH-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729048 230217127 /nfs/dbraw/zinc/21/71/27/230217127.db2.gz GSUVXCHDZFWBOI-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410736634 230228383 /nfs/dbraw/zinc/22/83/83/230228383.db2.gz OLXNRODWTXDGGF-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC[N@@H+]1C ZINC000947132242 674292777 /nfs/dbraw/zinc/29/27/77/674292777.db2.gz WWUDKPYEDKGBTA-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccncc3C(N)=O)CC2)C1 ZINC000302038009 488886795 /nfs/dbraw/zinc/88/67/95/488886795.db2.gz QFLIDQAJEQPPDB-GASCZTMLSA-N 2 0 359.474 0.807 20 0 FCADRP O=C(NCc1ccn2ccnc2c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363858929 488893389 /nfs/dbraw/zinc/89/33/89/488893389.db2.gz MWKYCEUFNRSLHN-QGZVFWFLSA-N 2 0 372.473 0.540 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312041186 488895208 /nfs/dbraw/zinc/89/52/08/488895208.db2.gz WHQILHXQHIXDBD-QZTJIDSGSA-N 2 0 356.470 0.399 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327013920 488917979 /nfs/dbraw/zinc/91/79/79/488917979.db2.gz GDCLKUBITZICLM-XHSDSOJGSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000287973773 488928019 /nfs/dbraw/zinc/92/80/19/488928019.db2.gz ZHHPVVMBCNTZFG-UHFFFAOYSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@H+](C)C1CC1 ZINC000288052233 488938176 /nfs/dbraw/zinc/93/81/76/488938176.db2.gz UNSXOYNSXUYENG-AWEZNQCLSA-N 2 0 350.463 0.769 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@H+](C)C1CC1 ZINC000288052237 488938230 /nfs/dbraw/zinc/93/82/30/488938230.db2.gz UNSXOYNSXUYENG-CQSZACIVSA-N 2 0 350.463 0.769 20 0 FCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000562812986 491190880 /nfs/dbraw/zinc/19/08/80/491190880.db2.gz WMLDALXLMKTPGH-IYBDPMFKSA-N 2 0 352.479 0.404 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047980924 488052078 /nfs/dbraw/zinc/05/20/78/488052078.db2.gz LFDANUWVWSHKCN-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CSCC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000067045133 488342574 /nfs/dbraw/zinc/34/25/74/488342574.db2.gz AOYFCJKAYODWIY-IYBDPMFKSA-N 2 0 370.563 0.825 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000569801552 491193145 /nfs/dbraw/zinc/19/31/45/491193145.db2.gz DBXFCWPIXKNSSP-KRWDZBQOSA-N 2 0 363.462 0.869 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028931 488370373 /nfs/dbraw/zinc/37/03/73/488370373.db2.gz GCIVXXBJWZIJSM-RDJZCZTQSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000569810232 491194081 /nfs/dbraw/zinc/19/40/81/491194081.db2.gz HYQPURDMZSWTEW-KKUMJFAQSA-N 2 0 361.490 0.965 20 0 FCADRP O=C1C[C@@]2(CN1)CCC[NH+](CCCC[N@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000072833845 488383110 /nfs/dbraw/zinc/38/31/10/488383110.db2.gz DBWMTIPSOVZWNA-WOJBJXKFSA-N 2 0 362.518 0.971 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327384 488384391 /nfs/dbraw/zinc/38/43/91/488384391.db2.gz GTJPGPYSTOCVAH-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601978 488385345 /nfs/dbraw/zinc/38/53/45/488385345.db2.gz KLDLYMDLFDBAHY-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058194 488387460 /nfs/dbraw/zinc/38/74/60/488387460.db2.gz UTCMSSVFDBMSOO-IAGOWNOFSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058198 488387505 /nfs/dbraw/zinc/38/75/05/488387505.db2.gz UTCMSSVFDBMSOO-DLBZAZTESA-N 2 0 350.507 0.731 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000074249382 488389596 /nfs/dbraw/zinc/38/95/96/488389596.db2.gz AYXRAZRWKSODLB-INIZCTEOSA-N 2 0 364.490 0.888 20 0 FCADRP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182968087 488390396 /nfs/dbraw/zinc/39/03/96/488390396.db2.gz LNECNYUMPTYCHB-MRXNPFEDSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963585 488390561 /nfs/dbraw/zinc/39/05/61/488390561.db2.gz LSHQFMDKGUPITC-GFCCVEGCSA-N 2 0 367.416 0.332 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345300 488391097 /nfs/dbraw/zinc/39/10/97/488391097.db2.gz SINHICIFWODWLI-CVEARBPZSA-N 2 0 353.511 0.557 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@H]3C[NH2+]CCN3C)CCCC2)CC1 ZINC000569821070 491194969 /nfs/dbraw/zinc/19/49/69/491194969.db2.gz INBATFLOIBSSEW-MRXNPFEDSA-N 2 0 367.538 0.613 20 0 FCADRP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000186342987 488406268 /nfs/dbraw/zinc/40/62/68/488406268.db2.gz GWHPJLJTHSWASA-HNNXBMFYSA-N 2 0 351.495 0.960 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000077760620 488417078 /nfs/dbraw/zinc/41/70/78/488417078.db2.gz KFGFIMMBWBAZJD-UHFFFAOYSA-N 3 0 356.559 0.147 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000077760799 488417267 /nfs/dbraw/zinc/41/72/67/488417267.db2.gz NETRBPCZPLLOHD-MRXNPFEDSA-N 2 0 355.527 0.014 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000077776716 488417784 /nfs/dbraw/zinc/41/77/84/488417784.db2.gz AXQUJFIQIQFRRL-UHFFFAOYSA-N 2 0 350.511 0.897 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000077797216 488418199 /nfs/dbraw/zinc/41/81/99/488418199.db2.gz QYJVWSKZBKBZSK-MRXNPFEDSA-N 2 0 361.490 0.927 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000085360647 488450984 /nfs/dbraw/zinc/45/09/84/488450984.db2.gz SAWQLVPUFRCQJU-GJZGRUSLSA-N 2 0 355.527 0.849 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cn1 ZINC000237171420 488454322 /nfs/dbraw/zinc/45/43/22/488454322.db2.gz LRPJOQBYZGWSOX-KRWDZBQOSA-N 2 0 370.457 0.214 20 0 FCADRP CN1CCC(CNC(=O)C[NH2+]C[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000237158974 488454412 /nfs/dbraw/zinc/45/44/12/488454412.db2.gz CTSCUWSWMRJHKY-QGZVFWFLSA-N 2 0 352.523 0.822 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445234 488472739 /nfs/dbraw/zinc/47/27/39/488472739.db2.gz UJCVBHTUAMTGRM-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752601 488475670 /nfs/dbraw/zinc/47/56/70/488475670.db2.gz XNAOTWQRVRLRCP-RDJZCZTQSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000269239103 488481177 /nfs/dbraw/zinc/48/11/77/488481177.db2.gz AIBAGVFSZKWBGN-QGZVFWFLSA-N 2 0 351.422 0.774 20 0 FCADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000269239100 488481370 /nfs/dbraw/zinc/48/13/70/488481370.db2.gz AIBAGVFSZKWBGN-KRWDZBQOSA-N 2 0 351.422 0.774 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@H]3C[NH2+]CCO3)c2)C1 ZINC000269256383 488483691 /nfs/dbraw/zinc/48/36/91/488483691.db2.gz JZOGMTKJCQJWKF-ROUUACIJSA-N 2 0 374.485 0.379 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@H]3C[NH2+]CCO3)c2)C1 ZINC000269256378 488483759 /nfs/dbraw/zinc/48/37/59/488483759.db2.gz JZOGMTKJCQJWKF-MSOLQXFVSA-N 2 0 374.485 0.379 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000247292873 488484282 /nfs/dbraw/zinc/48/42/82/488484282.db2.gz UGGSQASDEFATKS-NVXWUHKLSA-N 2 0 363.506 0.419 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1=O ZINC000247301802 488484301 /nfs/dbraw/zinc/48/43/01/488484301.db2.gz PDJKOFIUYNEARI-BHYGNILZSA-N 2 0 350.507 0.905 20 0 FCADRP COC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000269310341 488490298 /nfs/dbraw/zinc/49/02/98/488490298.db2.gz WLIIEBMFQMOCMA-UHFFFAOYSA-N 3 0 361.490 0.479 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000102048629 488497103 /nfs/dbraw/zinc/49/71/03/488497103.db2.gz BLEYWHKRGNIVCE-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049262 488497167 /nfs/dbraw/zinc/49/71/67/488497167.db2.gz WBPPURCXGMENPL-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103236760 488500571 /nfs/dbraw/zinc/50/05/71/488500571.db2.gz ZPVYXXQQUQTOTR-QGZVFWFLSA-N 2 0 365.522 0.668 20 0 FCADRP Cc1nc2ncnn2c(C)c1CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212548 488500739 /nfs/dbraw/zinc/50/07/39/488500739.db2.gz RJUXRIIBEIPAOQ-UHFFFAOYSA-N 2 0 361.494 0.626 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000103576709 488502696 /nfs/dbraw/zinc/50/26/96/488502696.db2.gz YIEVYTBCGQAKFD-KRWDZBQOSA-N 2 0 367.538 0.914 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105223240 488508113 /nfs/dbraw/zinc/50/81/13/488508113.db2.gz CJSNURMNNHYZTD-INIZCTEOSA-N 2 0 353.511 0.570 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000563022191 491208271 /nfs/dbraw/zinc/20/82/71/491208271.db2.gz RMHRHJPJYZXMGF-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000111493353 488529629 /nfs/dbraw/zinc/52/96/29/488529629.db2.gz WJJWLHYRXRQBPF-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000261699937 488531737 /nfs/dbraw/zinc/53/17/37/488531737.db2.gz OOYHFJIADFQBBJ-LBPRGKRZSA-N 2 0 363.849 0.635 20 0 FCADRP CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)on1 ZINC000261750066 488533970 /nfs/dbraw/zinc/53/39/70/488533970.db2.gz USGWASUJCIWHEF-GFCCVEGCSA-N 2 0 351.451 0.698 20 0 FCADRP CC(C)(C)c1cc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)on1 ZINC000261750072 488534224 /nfs/dbraw/zinc/53/42/24/488534224.db2.gz USGWASUJCIWHEF-LBPRGKRZSA-N 2 0 351.451 0.698 20 0 FCADRP C[NH2+][C@@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261785178 488536115 /nfs/dbraw/zinc/53/61/15/488536115.db2.gz PSKQFRMWRNGHBT-QGZVFWFLSA-N 2 0 352.523 0.822 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261799762 488536483 /nfs/dbraw/zinc/53/64/83/488536483.db2.gz IUXHQWXIPRSERD-YYIAUSFCSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676368 488537599 /nfs/dbraw/zinc/53/75/99/488537599.db2.gz IUXVVCZDUWZODD-IUODEOHRSA-N 2 0 354.476 0.324 20 0 FCADRP CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000113513690 488538335 /nfs/dbraw/zinc/53/83/35/488538335.db2.gz WMKUGTHUMDXWOJ-INIZCTEOSA-N 2 0 352.523 0.975 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261847625 488538561 /nfs/dbraw/zinc/53/85/61/488538561.db2.gz MDWASASEQYXCCZ-DOTOQJQBSA-N 2 0 369.469 0.775 20 0 FCADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000271688644 488538578 /nfs/dbraw/zinc/53/85/78/488538578.db2.gz JWEYLSQLBJRGTN-QGZVFWFLSA-N 2 0 365.499 0.741 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261885995 488540232 /nfs/dbraw/zinc/54/02/32/488540232.db2.gz PXBCJWDSKQYKJE-QZWWFDLISA-N 2 0 366.506 0.250 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114598339 488541448 /nfs/dbraw/zinc/54/14/48/488541448.db2.gz SGQMRLBSWJHEPM-GOSISDBHSA-N 2 0 369.554 0.550 20 0 FCADRP C[NH+]1CCC(CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000114595444 488541735 /nfs/dbraw/zinc/54/17/35/488541735.db2.gz YNGSHUFAKKYPIA-UHFFFAOYSA-N 2 0 369.554 0.408 20 0 FCADRP O=C(CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000261978562 488544639 /nfs/dbraw/zinc/54/46/39/488544639.db2.gz BVZIZZNMLSEXCV-UHFFFAOYSA-N 2 0 362.449 0.842 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000115546265 488544760 /nfs/dbraw/zinc/54/47/60/488544760.db2.gz CUWVHTOVPZILLK-UHFFFAOYSA-N 2 0 354.539 0.754 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1=O ZINC000118870367 488554048 /nfs/dbraw/zinc/55/40/48/488554048.db2.gz RRZBEYIEQKMZNQ-CVEARBPZSA-N 2 0 362.474 0.943 20 0 FCADRP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262299482 488562618 /nfs/dbraw/zinc/56/26/18/488562618.db2.gz XGUSWVSKMIXPDO-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000262428443 488569734 /nfs/dbraw/zinc/56/97/34/488569734.db2.gz BJJVCFYRCIOUDG-RBUKOAKNSA-N 2 0 360.502 0.736 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)Cc1ccccc1 ZINC000272321669 488573016 /nfs/dbraw/zinc/57/30/16/488573016.db2.gz LGQJBWIQOBGVGW-SJORKVTESA-N 2 0 369.531 0.818 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000122166736 488576319 /nfs/dbraw/zinc/57/63/19/488576319.db2.gz MTNXJYZDRVQMMW-CALCHBBNSA-N 2 0 369.554 0.811 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC2(C[NH3+])CCCCC2)cn1 ZINC000262626208 488582905 /nfs/dbraw/zinc/58/29/05/488582905.db2.gz DNHHAMAPSHQJMW-UHFFFAOYSA-N 2 0 364.494 0.799 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262766351 488592003 /nfs/dbraw/zinc/59/20/03/488592003.db2.gz HJOUQJLNRGGASW-QGZVFWFLSA-N 2 0 350.463 0.615 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000263278420 488608972 /nfs/dbraw/zinc/60/89/72/488608972.db2.gz ZFRPOFXSLOUZPE-IBGZPJMESA-N 2 0 360.502 0.909 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000126916790 488612851 /nfs/dbraw/zinc/61/28/51/488612851.db2.gz NUHJHEBRGOCQBU-HLLBOEOZSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000126917259 488612893 /nfs/dbraw/zinc/61/28/93/488612893.db2.gz NUHJHEBRGOCQBU-BFYDXBDKSA-N 2 0 365.522 0.854 20 0 FCADRP CC[NH+]1CCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000127704817 488619385 /nfs/dbraw/zinc/61/93/85/488619385.db2.gz BIVIZWWXDFEDSX-IYBDPMFKSA-N 2 0 354.495 0.204 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000132133391 488650923 /nfs/dbraw/zinc/65/09/23/488650923.db2.gz ZYRZAVMHSVVOIH-SFHVURJKSA-N 2 0 350.463 0.424 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccn1 ZINC000137086360 488679798 /nfs/dbraw/zinc/67/97/98/488679798.db2.gz QWTAYDBTILIRAA-UHFFFAOYSA-N 2 0 350.463 0.863 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000136958686 488679810 /nfs/dbraw/zinc/67/98/10/488679810.db2.gz UGGSQASDEFATKS-RDJZCZTQSA-N 2 0 363.506 0.419 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000274395532 488704713 /nfs/dbraw/zinc/70/47/13/488704713.db2.gz FFMXATGRXANHCE-HNNXBMFYSA-N 2 0 352.866 0.886 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000151915258 488711266 /nfs/dbraw/zinc/71/12/66/488711266.db2.gz WUCMIGVXJDTXEG-UHFFFAOYSA-N 2 0 372.473 0.631 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000563086540 491214452 /nfs/dbraw/zinc/21/44/52/491214452.db2.gz MWJDATULCRQMRQ-QGZVFWFLSA-N 2 0 359.474 0.673 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)o1 ZINC000264829866 488717131 /nfs/dbraw/zinc/71/71/31/488717131.db2.gz ZVRLLEKLBLWZHM-MRXNPFEDSA-N 2 0 351.495 0.907 20 0 FCADRP CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)NC1CC[NH+](CC)CC1)CC2 ZINC000152953806 488724921 /nfs/dbraw/zinc/72/49/21/488724921.db2.gz DEGRQAYAEJVEQS-DLBZAZTESA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)NC1CC[NH+](CC)CC1)CC2 ZINC000152953704 488725031 /nfs/dbraw/zinc/72/50/31/488725031.db2.gz DEGRQAYAEJVEQS-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000154657685 488745759 /nfs/dbraw/zinc/74/57/59/488745759.db2.gz IZWNQDJAJDEOHQ-KBPBESRZSA-N 2 0 350.467 0.372 20 0 FCADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000155030708 488749973 /nfs/dbraw/zinc/74/99/73/488749973.db2.gz KJXYMWVDBSYKIR-GJZGRUSLSA-N 2 0 354.520 0.881 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC3(O)CC[NH+](C)CC3)c2)CC1 ZINC000267016447 488753279 /nfs/dbraw/zinc/75/32/79/488753279.db2.gz CCWVUUBBQCTNFW-UHFFFAOYSA-N 2 0 360.502 0.621 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155615074 488757413 /nfs/dbraw/zinc/75/74/13/488757413.db2.gz OCOSNZYGVHHJTH-AEFFLSMTSA-N 2 0 352.523 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000157379610 488770714 /nfs/dbraw/zinc/77/07/14/488770714.db2.gz APSMOZCHVUYQKY-KRWDZBQOSA-N 2 0 365.522 0.714 20 0 FCADRP Cn1c2ncn(CCN3CCC[C@@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000157349756 488770835 /nfs/dbraw/zinc/77/08/35/488770835.db2.gz CWMAYGBDKDHMBQ-OAHLLOKOSA-N 2 0 374.489 0.384 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000157331060 488771125 /nfs/dbraw/zinc/77/11/25/488771125.db2.gz OOOFLSSXOIIUBU-HNNXBMFYSA-N 2 0 351.520 0.872 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000276158293 488782724 /nfs/dbraw/zinc/78/27/24/488782724.db2.gz HHZFRBQWZLQXEH-SFHVURJKSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000277944387 488794207 /nfs/dbraw/zinc/79/42/07/488794207.db2.gz KMOSLGCZVDAVJT-QGZVFWFLSA-N 2 0 373.501 0.968 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000162027102 488800134 /nfs/dbraw/zinc/80/01/34/488800134.db2.gz WCBFMPNOQVDZFH-UHFFFAOYSA-N 2 0 362.478 0.643 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000554749602 491223145 /nfs/dbraw/zinc/22/31/45/491223145.db2.gz WMMXJRLMVUZUNA-HNNXBMFYSA-N 2 0 364.465 0.914 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190025 491223453 /nfs/dbraw/zinc/22/34/53/491223453.db2.gz ZFRNQKCSCWSILJ-DZGCQCFKSA-N 2 0 350.488 0.649 20 0 FCADRP CC1(C)COCCN1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000172351784 488833505 /nfs/dbraw/zinc/83/35/05/488833505.db2.gz ICPWXHIZAYTIJB-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCN(C)CC1 ZINC000174918436 488852240 /nfs/dbraw/zinc/85/22/40/488852240.db2.gz TVXOJPIMMPJSNH-MRXNPFEDSA-N 2 0 355.527 0.280 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175551671 488854327 /nfs/dbraw/zinc/85/43/27/488854327.db2.gz NPSQNUOOOWZKGO-SFHVURJKSA-N 2 0 369.554 0.668 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000175765248 488855440 /nfs/dbraw/zinc/85/54/40/488855440.db2.gz PGNYYAIXRZEGLG-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000176001494 488857040 /nfs/dbraw/zinc/85/70/40/488857040.db2.gz JPRISJGKFWZFFN-INIZCTEOSA-N 2 0 354.495 0.461 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000181062309 488862953 /nfs/dbraw/zinc/86/29/53/488862953.db2.gz HLXWGGJHEUTYOW-CVEARBPZSA-N 2 0 354.495 0.997 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@@H+]1C1CC1 ZINC000570245343 491227518 /nfs/dbraw/zinc/22/75/18/491227518.db2.gz VWXGZWKQLWQQHS-CABCVRRESA-N 2 0 366.506 0.033 20 0 FCADRP CN(CCC[N@H+](C)CC(=O)NCCOc1ccccc1)CC[NH+](C)C ZINC000288779896 489015000 /nfs/dbraw/zinc/01/50/00/489015000.db2.gz BPLHRZFHLCNKMV-UHFFFAOYSA-N 2 0 350.507 0.997 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364991748 489027002 /nfs/dbraw/zinc/02/70/02/489027002.db2.gz LMWDIDJWKMQEBQ-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000570278640 491229769 /nfs/dbraw/zinc/22/97/69/491229769.db2.gz HCJVLEGWCLQMQP-SCTDSRPQSA-N 2 0 356.470 0.636 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184378 489047524 /nfs/dbraw/zinc/04/75/24/489047524.db2.gz NHXMXPLLHOUFJP-ZWKOTPCHSA-N 2 0 366.506 0.603 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000289336615 489059989 /nfs/dbraw/zinc/05/99/89/489059989.db2.gz WHBZAKSFIXPJBT-HXUWFJFHSA-N 2 0 371.529 0.554 20 0 FCADRP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000365339665 489065583 /nfs/dbraw/zinc/06/55/83/489065583.db2.gz ULLPESVEPSMOFL-KRWDZBQOSA-N 2 0 353.511 0.034 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000289673896 489085235 /nfs/dbraw/zinc/08/52/35/489085235.db2.gz DGUOCCPBORLLRH-RDJZCZTQSA-N 2 0 362.474 0.594 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000289673893 489085322 /nfs/dbraw/zinc/08/53/22/489085322.db2.gz DGUOCCPBORLLRH-NVXWUHKLSA-N 2 0 362.474 0.594 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298784 489088903 /nfs/dbraw/zinc/08/89/03/489088903.db2.gz HPKVNYGUGLDDAY-HOTGVXAUSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281868735 489112664 /nfs/dbraw/zinc/11/26/64/489112664.db2.gz OQUIVCMGRCYGHH-RDJZCZTQSA-N 2 0 374.489 0.418 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000365805897 489115171 /nfs/dbraw/zinc/11/51/71/489115171.db2.gz DQMMWNNJFYZNNH-INIZCTEOSA-N 2 0 365.478 0.494 20 0 FCADRP COC(=O)[C@]1(C)CC[N@H+](CCOCC[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136907 /nfs/dbraw/zinc/13/69/07/489136907.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 2 0 356.463 0.773 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000366242772 489162385 /nfs/dbraw/zinc/16/23/85/489162385.db2.gz CADJHMLISAAPJB-IRXDYDNUSA-N 2 0 356.511 0.897 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000366553470 489193808 /nfs/dbraw/zinc/19/38/08/489193808.db2.gz GZTSVJVBRGGVDR-YJBOKZPZSA-N 2 0 368.522 0.584 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331386328 489204557 /nfs/dbraw/zinc/20/45/57/489204557.db2.gz IAFQLQAPBZAQHA-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC3CC[NH2+]CC3)C2)CC1 ZINC000331430459 489209917 /nfs/dbraw/zinc/20/99/17/489209917.db2.gz MBXIRMRNWFHZMZ-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000331447068 489212587 /nfs/dbraw/zinc/21/25/87/489212587.db2.gz CFFKYZGJSJIRIR-QXSJWSMHSA-N 2 0 350.507 0.727 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501421 489266718 /nfs/dbraw/zinc/26/67/18/489266718.db2.gz PPORNQPCPUQHQT-CEXWTWQISA-N 2 0 370.497 0.930 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863058 489283763 /nfs/dbraw/zinc/28/37/63/489283763.db2.gz QKTDWZGDZMDXIS-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)o1 ZINC000298285672 489312125 /nfs/dbraw/zinc/31/21/25/489312125.db2.gz HTLMRDGWFMDUQC-KRWDZBQOSA-N 2 0 374.485 0.951 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1)CN1CCOCC1 ZINC000285867730 489328412 /nfs/dbraw/zinc/32/84/12/489328412.db2.gz KTLSQHNTXVNBIH-GJZGRUSLSA-N 2 0 363.462 0.548 20 0 FCADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297993 489340430 /nfs/dbraw/zinc/34/04/30/489340430.db2.gz HJMAWARMQONOLR-IAGOWNOFSA-N 2 0 369.554 0.668 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000286060636 489351722 /nfs/dbraw/zinc/35/17/22/489351722.db2.gz VYNBWZQPVXOYJB-CQSZACIVSA-N 2 0 364.494 0.339 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(C)c2)CC1 ZINC000563489561 491250624 /nfs/dbraw/zinc/25/06/24/491250624.db2.gz IAFCMHIROXHSRS-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896044 489404097 /nfs/dbraw/zinc/40/40/97/489404097.db2.gz GTSVCESKVJSVKE-FGTMMUONSA-N 2 0 367.538 0.111 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000286623088 489410766 /nfs/dbraw/zinc/41/07/66/489410766.db2.gz ZAASCSLYHDZCFH-OAHLLOKOSA-N 2 0 364.490 0.700 20 0 FCADRP C[C@]1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000563601628 491257612 /nfs/dbraw/zinc/25/76/12/491257612.db2.gz MFBPHEVTYFHXDG-YJBOKZPZSA-N 2 0 351.495 0.230 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000563611103 491257947 /nfs/dbraw/zinc/25/79/47/491257947.db2.gz GWUNXVIDXQQYIO-UHFFFAOYSA-N 2 0 356.536 0.580 20 0 FCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nncn1C ZINC000299514650 489449634 /nfs/dbraw/zinc/44/96/34/489449634.db2.gz OTCQCRAYSQAJNE-HNNXBMFYSA-N 2 0 372.477 0.783 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCCNC1=O ZINC000299556972 489455457 /nfs/dbraw/zinc/45/54/57/489455457.db2.gz MHGILMIKNSRMKK-QGZVFWFLSA-N 2 0 374.489 0.562 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000563558354 491255005 /nfs/dbraw/zinc/25/50/05/491255005.db2.gz MVHDZWVLRQWVOP-CABCVRRESA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363389899 489461236 /nfs/dbraw/zinc/46/12/36/489461236.db2.gz OCKMZEYDEGCGNV-ROUUACIJSA-N 3 0 369.554 0.765 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271462 489472244 /nfs/dbraw/zinc/47/22/44/489472244.db2.gz RATUODGLXANQPZ-LPHOPBHVSA-N 2 0 362.449 0.702 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578479 489480628 /nfs/dbraw/zinc/48/06/28/489480628.db2.gz OIJYJHJNEXQORU-QZTJIDSGSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000563594949 491256891 /nfs/dbraw/zinc/25/68/91/491256891.db2.gz DDCDUGUQMUEFAT-QGZVFWFLSA-N 2 0 373.501 0.582 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423094899 489492875 /nfs/dbraw/zinc/49/28/75/489492875.db2.gz KWYJUQRKLQAYJM-CQSZACIVSA-N 2 0 350.438 0.523 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423091044 489493094 /nfs/dbraw/zinc/49/30/94/489493094.db2.gz ZAXCDHOCBKXFHS-MRXNPFEDSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676697 491257084 /nfs/dbraw/zinc/25/70/84/491257084.db2.gz UZLVNDBRAIXCKZ-YWTNHNAXSA-N 2 0 355.523 0.547 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423128514 489495613 /nfs/dbraw/zinc/49/56/13/489495613.db2.gz KTGMFUJWTWQJGS-IRXDYDNUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145574 489496699 /nfs/dbraw/zinc/49/66/99/489496699.db2.gz LJEJGBZZWXKXCV-WMZOPIPTSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423154352 489497530 /nfs/dbraw/zinc/49/75/30/489497530.db2.gz OTPNSXLBTCAGLA-KURKYZTESA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000423174837 489499783 /nfs/dbraw/zinc/49/97/83/489499783.db2.gz CEUAVHUKHQETEM-OAGGEKHMSA-N 2 0 364.490 0.051 20 0 FCADRP COC(=O)c1occc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414478147 489500869 /nfs/dbraw/zinc/50/08/69/489500869.db2.gz DHVZZZAYAKXXRN-UHFFFAOYSA-N 2 0 351.447 0.952 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423194444 489501498 /nfs/dbraw/zinc/50/14/98/489501498.db2.gz RLVSDKZKLPIONG-QGZVFWFLSA-N 2 0 368.522 0.533 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423200203 489502027 /nfs/dbraw/zinc/50/20/27/489502027.db2.gz DVSQXCQKLWFNRO-AWEZNQCLSA-N 2 0 368.428 0.805 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423203749 489502190 /nfs/dbraw/zinc/50/21/90/489502190.db2.gz NEZIICOAUNLOGT-IYBDPMFKSA-N 2 0 362.449 0.394 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)CC1 ZINC000423205818 489502845 /nfs/dbraw/zinc/50/28/45/489502845.db2.gz PRMWUNZYYDCNSN-IRXDYDNUSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423211792 489503396 /nfs/dbraw/zinc/50/33/96/489503396.db2.gz YZBPEWKIDVXBAB-UHFFFAOYSA-N 2 0 368.428 0.805 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423212131 489503535 /nfs/dbraw/zinc/50/35/35/489503535.db2.gz LQHXLVYAVSVKJI-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000423258893 489508574 /nfs/dbraw/zinc/50/85/74/489508574.db2.gz MZWKIZLBQQIZKI-KRWDZBQOSA-N 2 0 362.474 0.071 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000423300460 489512798 /nfs/dbraw/zinc/51/27/98/489512798.db2.gz DVXBLOOULMMWFU-UMQBVGHOSA-N 2 0 362.518 0.777 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000570720495 491260062 /nfs/dbraw/zinc/26/00/62/491260062.db2.gz GBFROUOBHCEUNC-CABCVRRESA-N 2 0 368.522 0.768 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)C1 ZINC000451719337 489519407 /nfs/dbraw/zinc/51/94/07/489519407.db2.gz XEXAGARAQRVGCZ-NCXUSEDFSA-N 2 0 367.534 0.942 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[NH2+]1 ZINC000415425902 489519825 /nfs/dbraw/zinc/51/98/25/489519825.db2.gz DHHXEFOORHOMTH-ZDUSSCGKSA-N 2 0 361.446 0.336 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c(C)c2)CC1 ZINC000415428460 489520726 /nfs/dbraw/zinc/52/07/26/489520726.db2.gz HJYRAPNDYCXUSO-INIZCTEOSA-N 2 0 373.501 0.896 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949405 489527620 /nfs/dbraw/zinc/52/76/20/489527620.db2.gz VHDJDTCOOLPUBQ-MSOLQXFVSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415544090 489527842 /nfs/dbraw/zinc/52/78/42/489527842.db2.gz STCIDONZKHCBHC-RDJZCZTQSA-N 2 0 373.501 0.568 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415545187 489528446 /nfs/dbraw/zinc/52/84/46/489528446.db2.gz JDMKIOUDOGEHFK-UHFFFAOYSA-N 2 0 350.488 0.852 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(C)c2)CC1 ZINC000415546696 489528540 /nfs/dbraw/zinc/52/85/40/489528540.db2.gz BKAKNUGCUCIXJD-HNNXBMFYSA-N 2 0 361.490 0.929 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000415577736 489532580 /nfs/dbraw/zinc/53/25/80/489532580.db2.gz ZCXSHJJNXZFQSM-HOTGVXAUSA-N 2 0 373.501 0.581 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748339 491261695 /nfs/dbraw/zinc/26/16/95/491261695.db2.gz AFFWPPHMCFCZBA-HOTGVXAUSA-N 2 0 366.506 0.347 20 0 FCADRP CN(C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1C[NH2+]C1 ZINC000415734639 489548297 /nfs/dbraw/zinc/54/82/97/489548297.db2.gz KLZXYVMQUAEFQT-UHFFFAOYSA-N 2 0 371.485 0.587 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000426226581 489560188 /nfs/dbraw/zinc/56/01/88/489560188.db2.gz IJILEHBCTOHRBD-GJZGRUSLSA-N 2 0 369.510 0.077 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415883049 489562712 /nfs/dbraw/zinc/56/27/12/489562712.db2.gz ZAZNVCOSFZMWAH-UHFFFAOYSA-N 2 0 359.474 0.574 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000415877818 489562904 /nfs/dbraw/zinc/56/29/04/489562904.db2.gz KBTISWBLGLJBTF-UHFFFAOYSA-N 2 0 367.881 0.838 20 0 FCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957718 489566205 /nfs/dbraw/zinc/56/62/05/489566205.db2.gz UWGQTVHKQKCRJH-OAHLLOKOSA-N 2 0 365.482 0.365 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004573 489567309 /nfs/dbraw/zinc/56/73/09/489567309.db2.gz IQPCKTFNZYZUPG-NWDGAFQWSA-N 2 0 367.416 0.508 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)NC1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000416185223 489573458 /nfs/dbraw/zinc/57/34/58/489573458.db2.gz SYRANTGOPXBJKO-GQGLESIBSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000454647064 489574997 /nfs/dbraw/zinc/57/49/97/489574997.db2.gz TVQLCIJTWNVYGI-OKILXGFUSA-N 2 0 358.527 0.693 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000372399862 489581158 /nfs/dbraw/zinc/58/11/58/489581158.db2.gz WVIMTUCMNFPETM-QXAKKESOSA-N 2 0 360.502 0.845 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000416433516 489592359 /nfs/dbraw/zinc/59/23/59/489592359.db2.gz PRJYOOWUTSLVBN-UONOGXRCSA-N 2 0 367.519 0.847 20 0 FCADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000563725259 491265692 /nfs/dbraw/zinc/26/56/92/491265692.db2.gz KVHMXWXUTKHXMG-PXNSSMCTSA-N 2 0 358.486 0.867 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000372581882 489603610 /nfs/dbraw/zinc/60/36/10/489603610.db2.gz APTTXKBXSLPALW-XSYGEPLQSA-N 2 0 370.497 0.643 20 0 FCADRP CC(CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427774812 489620395 /nfs/dbraw/zinc/62/03/95/489620395.db2.gz BKZARQYBIORIMF-USTZCAOPSA-N 2 0 362.518 0.443 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676040 489622396 /nfs/dbraw/zinc/62/23/96/489622396.db2.gz XNGGGVZJIFCTRZ-SOLBZPMBSA-N 2 0 365.522 0.175 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C[C@H](C)C1 ZINC000456691961 489622912 /nfs/dbraw/zinc/62/29/12/489622912.db2.gz DQQCINIHYRHVFG-TXTZMMAHSA-N 2 0 364.534 0.689 20 0 FCADRP COc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1OC ZINC000416823034 489630647 /nfs/dbraw/zinc/63/06/47/489630647.db2.gz XUJSIPUWDMVJAO-HUUCEWRRSA-N 2 0 366.462 0.594 20 0 FCADRP COc1cccc([C@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)c1 ZINC000416858250 489632063 /nfs/dbraw/zinc/63/20/63/489632063.db2.gz STJAHJPZHZCRFT-KRWDZBQOSA-N 2 0 350.463 0.795 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cn2)CC1 ZINC000416943195 489635044 /nfs/dbraw/zinc/63/50/44/489635044.db2.gz KFJYYEWBOLAYGD-CYBMUJFWSA-N 2 0 356.421 0.615 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000416950422 489635539 /nfs/dbraw/zinc/63/55/39/489635539.db2.gz RDSJZGYYXGCZJY-BRWVUGGUSA-N 2 0 353.511 0.175 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416984984 489637949 /nfs/dbraw/zinc/63/79/49/489637949.db2.gz YGTVVOFLMVRXSD-UHFFFAOYSA-N 2 0 359.518 0.898 20 0 FCADRP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417018283 489638637 /nfs/dbraw/zinc/63/86/37/489638637.db2.gz PXPHHTNPSNOQHZ-AEFFLSMTSA-N 2 0 365.522 0.664 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049772 489639828 /nfs/dbraw/zinc/63/98/28/489639828.db2.gz VCJGDZGUHDBRLD-SJORKVTESA-N 2 0 367.538 0.995 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049771 489639846 /nfs/dbraw/zinc/63/98/46/489639846.db2.gz VCJGDZGUHDBRLD-IRXDYDNUSA-N 2 0 367.538 0.995 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417079745 489640431 /nfs/dbraw/zinc/64/04/31/489640431.db2.gz VYBKAVFSLCKGBS-GXTWGEPZSA-N 2 0 363.428 0.606 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)O1 ZINC000457236735 489641295 /nfs/dbraw/zinc/64/12/95/489641295.db2.gz KWSYGODODYDLMG-ZIAGYGMSSA-N 2 0 356.511 0.447 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)O1 ZINC000457236718 489641366 /nfs/dbraw/zinc/64/13/66/489641366.db2.gz KWSYGODODYDLMG-KBPBESRZSA-N 2 0 356.511 0.447 20 0 FCADRP [NH3+]CCN(CCO)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417139928 489643134 /nfs/dbraw/zinc/64/31/34/489643134.db2.gz DBAPIDDOFINVHL-UHFFFAOYSA-N 2 0 363.506 0.551 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457509471 489647213 /nfs/dbraw/zinc/64/72/13/489647213.db2.gz DKOQLAQDFIXODB-HNNXBMFYSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1[NH3+] ZINC000417383748 489650514 /nfs/dbraw/zinc/65/05/14/489650514.db2.gz KQDZIJUCCNJRPM-AEFFLSMTSA-N 3 0 360.506 0.972 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417426687 489651443 /nfs/dbraw/zinc/65/14/43/489651443.db2.gz HFPHEBWTXURPLP-HOTGVXAUSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457635110 489652362 /nfs/dbraw/zinc/65/23/62/489652362.db2.gz IXXHDOOGWSFBQK-QGZVFWFLSA-N 2 0 355.527 0.158 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417429826 489652580 /nfs/dbraw/zinc/65/25/80/489652580.db2.gz NXPJUURGAXYHJL-ARFHVFGLSA-N 2 0 353.511 0.616 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417431056 489652826 /nfs/dbraw/zinc/65/28/26/489652826.db2.gz QKHCNZLOJLURAO-CVEARBPZSA-N 2 0 355.527 0.944 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417436226 489653485 /nfs/dbraw/zinc/65/34/85/489653485.db2.gz ZNDKBLUWZNFWHD-QAPCUYQASA-N 2 0 353.511 0.618 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511058 489656815 /nfs/dbraw/zinc/65/68/15/489656815.db2.gz YCZSIBRFKWKZQV-RTBURBONSA-N 2 0 359.518 0.754 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417512177 489657053 /nfs/dbraw/zinc/65/70/53/489657053.db2.gz HGWZXOHDUSDOPB-MRXNPFEDSA-N 2 0 363.510 0.534 20 0 FCADRP C[N@H+](CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC000417508368 489657058 /nfs/dbraw/zinc/65/70/58/489657058.db2.gz PNBIJTNDTXRFGA-AEFFLSMTSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000417531334 489657360 /nfs/dbraw/zinc/65/73/60/489657360.db2.gz UIOFBIVQKHZBLR-SFHVURJKSA-N 2 0 364.490 0.847 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000417543687 489657664 /nfs/dbraw/zinc/65/76/64/489657664.db2.gz GHUOZRRLQSKRBI-ZWKOTPCHSA-N 2 0 373.501 0.935 20 0 FCADRP CC(C)([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417549562 489658075 /nfs/dbraw/zinc/65/80/75/489658075.db2.gz TYKZFUDCDSTPEL-INIZCTEOSA-N 2 0 361.490 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551629 489658401 /nfs/dbraw/zinc/65/84/01/489658401.db2.gz OEVKURMRZVQKKC-HOTGVXAUSA-N 2 0 353.511 0.603 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C3)c2)C1 ZINC000417550103 489658504 /nfs/dbraw/zinc/65/85/04/489658504.db2.gz UMBJUYFTRJICJT-DLBZAZTESA-N 2 0 359.474 0.545 20 0 FCADRP [NH3+]C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)C1CCCCC1 ZINC000417643426 489660045 /nfs/dbraw/zinc/66/00/45/489660045.db2.gz CKIYWDIFAGTNJC-GOSISDBHSA-N 2 0 369.554 0.583 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417804757 489665990 /nfs/dbraw/zinc/66/59/90/489665990.db2.gz ZLDWMPKITJJHBK-SJORKVTESA-N 2 0 365.522 0.747 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417828097 489667560 /nfs/dbraw/zinc/66/75/60/489667560.db2.gz GHUKMGHFGDSHHB-LESCRADOSA-N 2 0 364.465 0.735 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867466 489668917 /nfs/dbraw/zinc/66/89/17/489668917.db2.gz DIINYSAIVAMYMD-HOTGVXAUSA-N 2 0 353.511 0.461 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000458411122 489682124 /nfs/dbraw/zinc/68/21/24/489682124.db2.gz AQLDUSALITTWIM-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000418172960 489682382 /nfs/dbraw/zinc/68/23/82/489682382.db2.gz BMAPYGXUVFMDFW-ZCRFILTFSA-N 2 0 365.522 0.839 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373263986 489683382 /nfs/dbraw/zinc/68/33/82/489683382.db2.gz MVXKRXZNAOJTDX-UHFFFAOYSA-N 2 0 364.494 0.792 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000555755172 491271039 /nfs/dbraw/zinc/27/10/39/491271039.db2.gz IMGFNXXVJFQEBC-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000418222499 489685573 /nfs/dbraw/zinc/68/55/73/489685573.db2.gz VYGTWYXOUIJTEF-INIZCTEOSA-N 2 0 353.511 0.749 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000418273418 489686549 /nfs/dbraw/zinc/68/65/49/489686549.db2.gz XCGARBPPZLOGRJ-INIZCTEOSA-N 2 0 353.511 0.890 20 0 FCADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418304178 489690072 /nfs/dbraw/zinc/69/00/72/489690072.db2.gz XJHUSNMPDSOTTN-GOSISDBHSA-N 2 0 363.506 0.892 20 0 FCADRP CCC[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000418303643 489690119 /nfs/dbraw/zinc/69/01/19/489690119.db2.gz WFDOPHITSDRADZ-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418435109 489697888 /nfs/dbraw/zinc/69/78/88/489697888.db2.gz HCUKSADXAWTQEL-HUUCEWRRSA-N 2 0 353.511 0.794 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418484779 489701944 /nfs/dbraw/zinc/70/19/44/489701944.db2.gz DRGUBEJQFJVTDW-SJORKVTESA-N 2 0 361.490 0.312 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCCOCC1 ZINC000458840023 489705588 /nfs/dbraw/zinc/70/55/88/489705588.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 3 0 369.554 0.766 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418561295 489706840 /nfs/dbraw/zinc/70/68/40/489706840.db2.gz YVDRUYWMXZSCCE-OAHLLOKOSA-N 2 0 371.407 0.925 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418609512 489709618 /nfs/dbraw/zinc/70/96/18/489709618.db2.gz FTTNQIBKYHJCKZ-AWEZNQCLSA-N 2 0 365.444 0.854 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418612027 489710557 /nfs/dbraw/zinc/71/05/57/489710557.db2.gz IMBBAAOLPNUPTE-CYBMUJFWSA-N 2 0 365.444 0.948 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418611512 489710591 /nfs/dbraw/zinc/71/05/91/489710591.db2.gz HRSSNGOICVKPSY-RQJABVFESA-N 2 0 363.428 0.510 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000418610261 489710643 /nfs/dbraw/zinc/71/06/43/489710643.db2.gz GRHLESZSEKSVPA-FRRDWIJNSA-N 2 0 351.417 0.449 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418622134 489711930 /nfs/dbraw/zinc/71/19/30/489711930.db2.gz UZLNKEMKZOZVFK-YNEHKIRRSA-N 2 0 351.417 0.639 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418634922 489713509 /nfs/dbraw/zinc/71/35/09/489713509.db2.gz GJAICFKWMVGJNP-QWHCGFSZSA-N 2 0 365.444 0.900 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686641 489718056 /nfs/dbraw/zinc/71/80/56/489718056.db2.gz PJKXPQZVDUVQRK-BBWFWOEESA-N 2 0 359.474 0.381 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418758147 489722778 /nfs/dbraw/zinc/72/27/78/489722778.db2.gz ZWKUVRVPKAMSEN-MRXNPFEDSA-N 2 0 351.495 0.468 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418775402 489725590 /nfs/dbraw/zinc/72/55/90/489725590.db2.gz DUGAZWXMDUZLMH-MRXNPFEDSA-N 2 0 361.490 0.168 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000418791669 489727729 /nfs/dbraw/zinc/72/77/29/489727729.db2.gz OCEMDHIOVCDYOZ-QRVBRYPASA-N 2 0 374.485 0.660 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC[NH+]1CCCCCC1 ZINC000418793678 489728458 /nfs/dbraw/zinc/72/84/58/489728458.db2.gz OWNNJXRMJMMXFZ-IXDOHACOSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807385 489731934 /nfs/dbraw/zinc/73/19/34/489731934.db2.gz PUJUISJILZFQPD-MRXNPFEDSA-N 2 0 368.522 0.357 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418805435 489732254 /nfs/dbraw/zinc/73/22/54/489732254.db2.gz NINZNMBYRYJGCZ-MRXNPFEDSA-N 2 0 366.506 0.193 20 0 FCADRP CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829371 489742364 /nfs/dbraw/zinc/74/23/64/489742364.db2.gz IOPSDYBYKKSRNU-ZFWWWQNUSA-N 2 0 350.463 0.893 20 0 FCADRP CC[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000430565160 489747557 /nfs/dbraw/zinc/74/75/57/489747557.db2.gz OMFCGQBPERTHKI-UHFFFAOYSA-N 2 0 362.474 0.488 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000418837939 489747624 /nfs/dbraw/zinc/74/76/24/489747624.db2.gz UIURFHQHUWWNKB-SJLPKXTDSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838033 489748993 /nfs/dbraw/zinc/74/89/93/489748993.db2.gz ACQGMCLPYUOHTF-TZMCWYRMSA-N 2 0 354.495 0.595 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000418838581 489749030 /nfs/dbraw/zinc/74/90/30/489749030.db2.gz VNILSOTYXFQXPJ-QGZVFWFLSA-N 2 0 362.474 0.674 20 0 FCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000418840447 489750322 /nfs/dbraw/zinc/75/03/22/489750322.db2.gz FHADCICMZDDHMA-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000430602855 489750683 /nfs/dbraw/zinc/75/06/83/489750683.db2.gz MDYAWSBSOLAMTD-OAHLLOKOSA-N 2 0 364.515 0.810 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418841015 489750903 /nfs/dbraw/zinc/75/09/03/489750903.db2.gz GAOHCYPXZQBMCR-INMHGKMJSA-N 2 0 362.474 0.800 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418841610 489751423 /nfs/dbraw/zinc/75/14/23/489751423.db2.gz GVQCPCBWJLZTGL-KGLIPLIRSA-N 2 0 352.504 0.973 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418850174 489755329 /nfs/dbraw/zinc/75/53/29/489755329.db2.gz DTFAXKVFMXDSIW-YOEHRIQHSA-N 2 0 362.474 0.659 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+]2CCCC2)c1 ZINC000418849182 489755764 /nfs/dbraw/zinc/75/57/64/489755764.db2.gz CSLGEHWBJWKVJD-KRWDZBQOSA-N 2 0 374.485 0.946 20 0 FCADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621073 489755885 /nfs/dbraw/zinc/75/58/85/489755885.db2.gz CXCJIRCJRDOUDZ-INIZCTEOSA-N 2 0 354.495 0.063 20 0 FCADRP O=C([C@@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621364 489756180 /nfs/dbraw/zinc/75/61/80/489756180.db2.gz JCWKZNLQVUDMAU-MRXNPFEDSA-N 2 0 369.473 0.349 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620182 489756603 /nfs/dbraw/zinc/75/66/03/489756603.db2.gz BVUUFCXCJVXFRV-BBWFWOEESA-N 2 0 350.507 0.635 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855305 489759601 /nfs/dbraw/zinc/75/96/01/489759601.db2.gz USNXPUQCESKOGJ-ZBFHGGJFSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640878 489760541 /nfs/dbraw/zinc/76/05/41/489760541.db2.gz LFNQHUFXSYEMAC-PKOBYXMFSA-N 2 0 372.513 0.878 20 0 FCADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638082 489761060 /nfs/dbraw/zinc/76/10/60/489761060.db2.gz CBXSOOQWGNFFSN-WBVHZDCISA-N 2 0 374.489 0.059 20 0 FCADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651629 489763745 /nfs/dbraw/zinc/76/37/45/489763745.db2.gz WDRJVVMDDFOXHN-KRWDZBQOSA-N 2 0 368.522 0.309 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418861926 489763944 /nfs/dbraw/zinc/76/39/44/489763944.db2.gz NUYLVBQPISTNIL-DLBZAZTESA-N 2 0 362.474 0.154 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[NH+](C)C)c1 ZINC000418865380 489764763 /nfs/dbraw/zinc/76/47/63/489764763.db2.gz RQZQQFYTWOATDZ-INIZCTEOSA-N 2 0 362.474 0.625 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000418864903 489765199 /nfs/dbraw/zinc/76/51/99/489765199.db2.gz RBSXZYOSNDQYCF-DOTOQJQBSA-N 2 0 362.474 0.754 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)[NH+](C)C)c1 ZINC000418870256 489768134 /nfs/dbraw/zinc/76/81/34/489768134.db2.gz YDVJDRZMAZSGHX-XKQJLSEDSA-N 2 0 362.474 0.610 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](C)C)c1 ZINC000418870638 489768209 /nfs/dbraw/zinc/76/82/09/489768209.db2.gz YOKIZORUNVUQQH-FXAWDEMLSA-N 2 0 374.485 0.626 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000418874529 489769906 /nfs/dbraw/zinc/76/99/06/489769906.db2.gz ZYVWTTYIAWOXNA-JKSUJKDBSA-N 2 0 368.522 0.498 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418875133 489770136 /nfs/dbraw/zinc/77/01/36/489770136.db2.gz VTIZGVLZAFUNKV-QGZVFWFLSA-N 2 0 374.485 0.391 20 0 FCADRP O=C(COC1C[NH2+]C1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000430783662 489770601 /nfs/dbraw/zinc/77/06/01/489770601.db2.gz NQCBLRNTLGVGJE-UHFFFAOYSA-N 2 0 351.422 0.774 20 0 FCADRP C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418876557 489770696 /nfs/dbraw/zinc/77/06/96/489770696.db2.gz GOYBJRSXJQDDHM-RISCZKNCSA-N 2 0 356.829 0.663 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418877447 489770884 /nfs/dbraw/zinc/77/08/84/489770884.db2.gz IYEKTAUQENFMGN-OAGGEKHMSA-N 2 0 354.495 0.332 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418879087 489772723 /nfs/dbraw/zinc/77/27/23/489772723.db2.gz RYXBLMHZZLHEKH-DOTOQJQBSA-N 2 0 360.458 0.508 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418883336 489773995 /nfs/dbraw/zinc/77/39/95/489773995.db2.gz UYIRKJBZGRQLKP-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000430870077 489774575 /nfs/dbraw/zinc/77/45/75/489774575.db2.gz SCHPSYRVBFTWIY-SFHVURJKSA-N 2 0 374.485 0.743 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H]1C[NH3+] ZINC000418885238 489774898 /nfs/dbraw/zinc/77/48/98/489774898.db2.gz YGJMYFGWTVGNRG-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP COCCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000474658071 489777899 /nfs/dbraw/zinc/77/78/99/489777899.db2.gz GKMAHEWWKAMKHH-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP [NH3+]C[C@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960937 489782178 /nfs/dbraw/zinc/78/21/78/489782178.db2.gz LWUOHOPLRFXPMP-OAHLLOKOSA-N 2 0 369.487 0.367 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431073622 489787162 /nfs/dbraw/zinc/78/71/62/489787162.db2.gz ZCSYGKVQMKVDBC-HNNXBMFYSA-N 2 0 366.510 0.490 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431073623 489787977 /nfs/dbraw/zinc/78/79/77/489787977.db2.gz ZCSYGKVQMKVDBC-OAHLLOKOSA-N 2 0 366.510 0.490 20 0 FCADRP CN1CCO[C@@H]([C@@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950937 491278943 /nfs/dbraw/zinc/27/89/43/491278943.db2.gz AQCXCUUAXSIZLF-AEFFLSMTSA-N 2 0 366.893 0.733 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919693 489792257 /nfs/dbraw/zinc/79/22/57/489792257.db2.gz KHCBHMVEUZDIDA-CVEARBPZSA-N 2 0 368.522 0.354 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000459917932 489792373 /nfs/dbraw/zinc/79/23/73/489792373.db2.gz KHXDBWSTICVVTE-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000418928238 489793988 /nfs/dbraw/zinc/79/39/88/489793988.db2.gz URBFDGQKUOJWJO-XHSDSOJGSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000555885445 491279391 /nfs/dbraw/zinc/27/93/91/491279391.db2.gz GEHVMMZGJSCVJE-GJZGRUSLSA-N 2 0 366.506 0.345 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccco1 ZINC000418941366 489798538 /nfs/dbraw/zinc/79/85/38/489798538.db2.gz KHNJQNYOFGZXEO-RBSFLKMASA-N 2 0 350.463 0.988 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418951712 489802396 /nfs/dbraw/zinc/80/23/96/489802396.db2.gz JAENOHMMLBIPTC-HZPDHXFCSA-N 2 0 368.522 0.504 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418968754 489807350 /nfs/dbraw/zinc/80/73/50/489807350.db2.gz UNOTXDQBHLXNON-HNNXBMFYSA-N 2 0 362.474 0.488 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000459981103 489808128 /nfs/dbraw/zinc/80/81/28/489808128.db2.gz AOZITHMHLXUFOE-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419000402 489814239 /nfs/dbraw/zinc/81/42/39/489814239.db2.gz OHXOTGWVLLEQMT-JKSUJKDBSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419006120 489815155 /nfs/dbraw/zinc/81/51/55/489815155.db2.gz HBIBITNSCPDYJT-GFCCVEGCSA-N 2 0 352.866 0.884 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419027940 489824838 /nfs/dbraw/zinc/82/48/38/489824838.db2.gz PGKBZZAVOKJRFH-QKPAOTATSA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419032480 489826626 /nfs/dbraw/zinc/82/66/26/489826626.db2.gz WSLLEYCRXWPPQK-YYIAUSFCSA-N 2 0 352.523 0.975 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000419034205 489827118 /nfs/dbraw/zinc/82/71/18/489827118.db2.gz DITGMQYADMTMGP-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)[C@H](C)C1 ZINC000419034756 489827331 /nfs/dbraw/zinc/82/73/31/489827331.db2.gz DWBMIXXDNYCRES-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419036236 489828519 /nfs/dbraw/zinc/82/85/19/489828519.db2.gz BFQIMOUDVRGSEU-GJZGRUSLSA-N 2 0 354.495 0.201 20 0 FCADRP C[C@@H]1C[N@H+](CCCNCc2cnc(N3CCN(C)CC3)nc2)CCCO1 ZINC000432362797 489839434 /nfs/dbraw/zinc/83/94/34/489839434.db2.gz PDJLFTNTGZBFAU-QGZVFWFLSA-N 3 0 362.522 0.819 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000419065494 489841792 /nfs/dbraw/zinc/84/17/92/489841792.db2.gz ADNLKHJANXOIBE-ZWKOTPCHSA-N 2 0 374.485 0.467 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068564 489843714 /nfs/dbraw/zinc/84/37/14/489843714.db2.gz FQLUYWQVSYLKFN-WMLDXEAASA-N 2 0 364.490 1.000 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069852 489844467 /nfs/dbraw/zinc/84/44/67/489844467.db2.gz GQSKGAORGYWPJC-BBRMVZONSA-N 2 0 350.463 0.658 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000571049764 491282740 /nfs/dbraw/zinc/28/27/40/491282740.db2.gz LQEUHAUVDJGJJP-QZTJIDSGSA-N 2 0 358.486 0.932 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419078807 489848593 /nfs/dbraw/zinc/84/85/93/489848593.db2.gz LRVVRCNURXXIEY-MRXNPFEDSA-N 2 0 368.522 0.724 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419080890 489849600 /nfs/dbraw/zinc/84/96/00/489849600.db2.gz QMWKTKZWIARYBR-YYIAUSFCSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000419100842 489856370 /nfs/dbraw/zinc/85/63/70/489856370.db2.gz CECJVJYXQTZDOE-KGLIPLIRSA-N 2 0 372.391 0.984 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000419106465 489856818 /nfs/dbraw/zinc/85/68/18/489856818.db2.gz JVFPOZNWLMBAKR-HNNXBMFYSA-N 2 0 364.465 0.962 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419110397 489859050 /nfs/dbraw/zinc/85/90/50/489859050.db2.gz NWSDMFQHYPWENY-GXTWGEPZSA-N 2 0 350.438 0.699 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1F ZINC000419111908 489859740 /nfs/dbraw/zinc/85/97/40/489859740.db2.gz PBYMJXUNKYKZJI-UHFFFAOYSA-N 2 0 350.438 0.701 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1F ZINC000419114738 489861513 /nfs/dbraw/zinc/86/15/13/489861513.db2.gz SJJNBRVHIQDQQD-HNNXBMFYSA-N 2 0 350.438 0.843 20 0 FCADRP COc1cccc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000555929971 491284014 /nfs/dbraw/zinc/28/40/14/491284014.db2.gz VQSUMCYRACOABH-HNNXBMFYSA-N 2 0 364.490 0.824 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCNC(=O)[C@H]2c2cccs2)CC1 ZINC000433114186 489866852 /nfs/dbraw/zinc/86/68/52/489866852.db2.gz GHMLQDTWGDAKSC-MRXNPFEDSA-N 2 0 350.488 0.951 20 0 FCADRP COC(=O)[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCOCC1 ZINC000433138032 489867912 /nfs/dbraw/zinc/86/79/12/489867912.db2.gz VXYOVBDUIPKOGX-INIZCTEOSA-N 2 0 355.479 0.522 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433141763 489869115 /nfs/dbraw/zinc/86/91/15/489869115.db2.gz BFWDGZWWVPBUGR-JKSUJKDBSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000433181235 489870881 /nfs/dbraw/zinc/87/08/81/489870881.db2.gz XJQMEVAXPYDDJG-UHFFFAOYSA-N 2 0 351.520 0.991 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419982920 489871590 /nfs/dbraw/zinc/87/15/90/489871590.db2.gz UHVURDOMSJJNGX-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000433280964 489874971 /nfs/dbraw/zinc/87/49/71/489874971.db2.gz GTURSZCCKGPFMC-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)CC[NH3+])c1 ZINC000419992603 489875649 /nfs/dbraw/zinc/87/56/49/489875649.db2.gz LOOMSEHOLWLSQL-CQSZACIVSA-N 2 0 350.463 0.439 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433334985 489876901 /nfs/dbraw/zinc/87/69/01/489876901.db2.gz JQIIVYMRRSPVPL-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625871 489876933 /nfs/dbraw/zinc/87/69/33/489876933.db2.gz IYGWFDMTGQYPCQ-AWEZNQCLSA-N 2 0 367.498 0.693 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420020113 489882626 /nfs/dbraw/zinc/88/26/26/489882626.db2.gz RPNLTZIILOCIAN-RDJZCZTQSA-N 2 0 367.538 0.105 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420023850 489884074 /nfs/dbraw/zinc/88/40/74/489884074.db2.gz XREJYGKYQFFONR-BBWFWOEESA-N 2 0 368.522 0.579 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420037662 489888781 /nfs/dbraw/zinc/88/87/81/489888781.db2.gz UWIWTODHBUJLQU-SJLPKXTDSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420043314 489891557 /nfs/dbraw/zinc/89/15/57/489891557.db2.gz RSAHSIMEDJIUAO-ZNMIVQPWSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000420044155 489891758 /nfs/dbraw/zinc/89/17/58/489891758.db2.gz SOZLKFJDWWGGKJ-CWRNSKLLSA-N 2 0 366.506 0.406 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420047122 489892393 /nfs/dbraw/zinc/89/23/93/489892393.db2.gz WBWVALRSZBQJFP-KKUMJFAQSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420057885 489896595 /nfs/dbraw/zinc/89/65/95/489896595.db2.gz HYRZIDVRWUYAAZ-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058177 489896877 /nfs/dbraw/zinc/89/68/77/489896877.db2.gz OATVLXQFAYELSX-RHSMWYFYSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064850 489899986 /nfs/dbraw/zinc/89/99/86/489899986.db2.gz OYHFQPWENXRXNK-ZBFHGGJFSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420076098 489904728 /nfs/dbraw/zinc/90/47/28/489904728.db2.gz LJCCSAJPMMDDKW-OKILXGFUSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000494713825 489907111 /nfs/dbraw/zinc/90/71/11/489907111.db2.gz VLTUEVGZGHTJJR-QZTJIDSGSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000420095277 489910074 /nfs/dbraw/zinc/91/00/74/489910074.db2.gz FMHQLQMQHHFDFB-HUUCEWRRSA-N 2 0 374.485 0.522 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097731 489911111 /nfs/dbraw/zinc/91/11/11/489911111.db2.gz AJZFFRZNUVKEBU-PBHICJAKSA-N 2 0 364.465 0.973 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420108248 489914804 /nfs/dbraw/zinc/91/48/04/489914804.db2.gz XAQFVJDELPLFKZ-SFHVURJKSA-N 2 0 356.470 0.993 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126508 489922047 /nfs/dbraw/zinc/92/20/47/489922047.db2.gz OHCLEFQVLDRHKO-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134465 489925066 /nfs/dbraw/zinc/92/50/66/489925066.db2.gz USVPXHQPDWSFOS-HOCLYGCPSA-N 2 0 364.465 0.973 20 0 FCADRP C[C@H](CNC(=O)N(C)CCN1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000434410100 489926316 /nfs/dbraw/zinc/92/63/16/489926316.db2.gz AYUQZDGSMYCDFK-QGZVFWFLSA-N 2 0 369.554 0.622 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000477033340 489933294 /nfs/dbraw/zinc/93/32/94/489933294.db2.gz MKMXPCUEKOSAEH-HNNXBMFYSA-N 2 0 356.511 0.138 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000495315055 489934791 /nfs/dbraw/zinc/93/47/91/489934791.db2.gz SPXJETVUFKZGMF-RDJZCZTQSA-N 2 0 366.506 0.333 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000477038264 489935419 /nfs/dbraw/zinc/93/54/19/489935419.db2.gz ZXZVMJDRZMEOFR-OAHLLOKOSA-N 2 0 356.511 0.402 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420163940 489937184 /nfs/dbraw/zinc/93/71/84/489937184.db2.gz LLHFZZBKNUQNNH-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420165569 489937501 /nfs/dbraw/zinc/93/75/01/489937501.db2.gz NQFDHBAAYMMDHH-SJLPKXTDSA-N 2 0 360.502 0.888 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000571157681 491289331 /nfs/dbraw/zinc/28/93/31/491289331.db2.gz YCMYERRFLSYHBD-XLMAVXFVSA-N 2 0 360.502 0.530 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169567 489939077 /nfs/dbraw/zinc/93/90/77/489939077.db2.gz RKLGXCDXKQHEIY-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000420172173 489939539 /nfs/dbraw/zinc/93/95/39/489939539.db2.gz OWRBVGMTEZAARN-CYBMUJFWSA-N 2 0 370.444 0.969 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420173314 489939598 /nfs/dbraw/zinc/93/95/98/489939598.db2.gz XASURNRGZVUKHC-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420182728 489943642 /nfs/dbraw/zinc/94/36/42/489943642.db2.gz KFEFVCAYRXZFOP-UHFFFAOYSA-N 2 0 368.522 0.453 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420184645 489944265 /nfs/dbraw/zinc/94/42/65/489944265.db2.gz IPDNTFQAEYRVNN-OAHLLOKOSA-N 2 0 368.503 0.133 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000420188197 489945917 /nfs/dbraw/zinc/94/59/17/489945917.db2.gz CLANSDGSCFBPKV-SJORKVTESA-N 2 0 366.506 0.062 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000571169249 491290120 /nfs/dbraw/zinc/29/01/20/491290120.db2.gz HFYCABVYYJXPBO-UHFFFAOYSA-N 2 0 352.504 0.178 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420206289 489952065 /nfs/dbraw/zinc/95/20/65/489952065.db2.gz PYPCUDZKCMVGHO-KBPBESRZSA-N 2 0 352.504 0.882 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798583 489959913 /nfs/dbraw/zinc/95/99/13/489959913.db2.gz KEBYXIOAWOOVSD-JKSUJKDBSA-N 2 0 362.522 0.795 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867508 489963909 /nfs/dbraw/zinc/96/39/09/489963909.db2.gz FDILKAKBEJKWEW-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477430543 489964670 /nfs/dbraw/zinc/96/46/70/489964670.db2.gz OKOIBJRAODCNAY-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000420373298 489968944 /nfs/dbraw/zinc/96/89/44/489968944.db2.gz GAEANMIKSNDTRC-JQHSSLGASA-N 2 0 352.523 0.757 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000556071374 491291962 /nfs/dbraw/zinc/29/19/62/491291962.db2.gz UATWCGYPBULVBD-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000420409000 489972788 /nfs/dbraw/zinc/97/27/88/489972788.db2.gz VCPULKJJDTXMCB-QZTJIDSGSA-N 2 0 360.502 0.849 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000477612182 489976662 /nfs/dbraw/zinc/97/66/62/489976662.db2.gz DMUBJCJMNISLDB-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420442215 489977166 /nfs/dbraw/zinc/97/71/66/489977166.db2.gz DNIUVKNTFBJUQN-CABCVRRESA-N 2 0 355.508 0.577 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000477627827 489979372 /nfs/dbraw/zinc/97/93/72/489979372.db2.gz QQKUMDHQSWIJND-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000477639269 489980257 /nfs/dbraw/zinc/98/02/57/489980257.db2.gz FBMQASONTLJSMC-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477653710 489982859 /nfs/dbraw/zinc/98/28/59/489982859.db2.gz RAUWYLUOUDPYQM-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000477679975 489984183 /nfs/dbraw/zinc/98/41/83/489984183.db2.gz QPXMBRUYISDOBM-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003117 489994522 /nfs/dbraw/zinc/99/45/22/489994522.db2.gz LYUKMSMEEGQRPL-AWEZNQCLSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000436487953 490006641 /nfs/dbraw/zinc/00/66/41/490006641.db2.gz MAYGIHYQICQDAS-OAHLLOKOSA-N 2 0 351.499 0.450 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000478247773 490011762 /nfs/dbraw/zinc/01/17/62/490011762.db2.gz BZQZXZJJPOSQBH-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](C[NH3+])C1 ZINC000478265232 490013121 /nfs/dbraw/zinc/01/31/21/490013121.db2.gz FVVGRCGYBFOVOS-LPHOPBHVSA-N 2 0 360.502 0.815 20 0 FCADRP CC(=O)N[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000420776482 490022056 /nfs/dbraw/zinc/02/20/56/490022056.db2.gz DYEFLUFLASXTCB-KRWDZBQOSA-N 2 0 374.489 0.514 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420801331 490022884 /nfs/dbraw/zinc/02/28/84/490022884.db2.gz KHHDBSMAQMNVLP-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1=O ZINC000378187285 490024660 /nfs/dbraw/zinc/02/46/60/490024660.db2.gz IMSXTZMELWXSQM-QBPKDAKJSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])Cc4ccccc4C3)cn2)CC1 ZINC000378200913 490027667 /nfs/dbraw/zinc/02/76/67/490027667.db2.gz COJWLLQSQFULBY-UHFFFAOYSA-N 2 0 365.481 0.946 20 0 FCADRP COc1ccc(N2C(=O)C[C@H](N3CC[C@@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283893 490039255 /nfs/dbraw/zinc/03/92/55/490039255.db2.gz PMGYKPAJCULSLJ-OCCSQVGLSA-N 2 0 355.398 0.945 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000478882861 490048997 /nfs/dbraw/zinc/04/89/97/490048997.db2.gz HQAVJJQIIMGXON-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906204 490053094 /nfs/dbraw/zinc/05/30/94/490053094.db2.gz PPDCUSPYDNKRPY-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)C1=C(C)O[C@H](CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482455 490070743 /nfs/dbraw/zinc/07/07/43/490070743.db2.gz MENMHALUHPJRLV-GOEBONIOSA-N 2 0 351.447 0.636 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953601 490073657 /nfs/dbraw/zinc/07/36/57/490073657.db2.gz PFGXETMDNCNXFM-DLBZAZTESA-N 2 0 367.538 0.851 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556141901 491297463 /nfs/dbraw/zinc/29/74/63/491297463.db2.gz SKMPJFFTYXGMIC-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000519785885 490084097 /nfs/dbraw/zinc/08/40/97/490084097.db2.gz DXLBJNLAHNFGMW-OAHLLOKOSA-N 2 0 350.507 0.943 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000545337181 490119438 /nfs/dbraw/zinc/11/94/38/490119438.db2.gz UJKLSFPFFUOCKI-KRWDZBQOSA-N 2 0 356.511 0.709 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1=O ZINC000422012790 490125876 /nfs/dbraw/zinc/12/58/76/490125876.db2.gz CJCMUQZBIPCLSQ-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677480 490125921 /nfs/dbraw/zinc/12/59/21/490125921.db2.gz CPIQACGNTQKIFU-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP CCOc1ncc(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000520344302 490133694 /nfs/dbraw/zinc/13/36/94/490133694.db2.gz GYXQXTKJBXCCQV-UHFFFAOYSA-N 2 0 365.478 0.679 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCC[NH2+]CC1 ZINC000390956849 490139516 /nfs/dbraw/zinc/13/95/16/490139516.db2.gz VRRVJKRQVYDSNK-SFHVURJKSA-N 2 0 374.485 0.216 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952288 490156017 /nfs/dbraw/zinc/15/60/17/490156017.db2.gz KAONDLDUBWQGNM-MRXNPFEDSA-N 2 0 353.511 0.557 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465951174 490156410 /nfs/dbraw/zinc/15/64/10/490156410.db2.gz NNXHSORTWCHDCR-KRWDZBQOSA-N 2 0 368.522 0.994 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446288162 490158058 /nfs/dbraw/zinc/15/80/58/490158058.db2.gz NYPMYTILCQSSPA-ABSDTBQOSA-N 2 0 366.550 0.909 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000446801191 490165449 /nfs/dbraw/zinc/16/54/49/490165449.db2.gz IKKKUQJIZHSSPI-CABCVRRESA-N 2 0 364.494 0.714 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000466114639 490166669 /nfs/dbraw/zinc/16/66/69/490166669.db2.gz WUBRMDLZROYKCB-INIZCTEOSA-N 2 0 355.527 0.016 20 0 FCADRP COCC1(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC[NH2+]CC1 ZINC000520804967 490191218 /nfs/dbraw/zinc/19/12/18/490191218.db2.gz FUGWZOOYYUWLFG-UHFFFAOYSA-N 2 0 355.479 0.394 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000520810602 490192583 /nfs/dbraw/zinc/19/25/83/490192583.db2.gz XEZFUUQPGHJEQR-AEFFLSMTSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676581 490192669 /nfs/dbraw/zinc/19/26/69/490192669.db2.gz IIDKKTAWMFBRMN-ZWKOTPCHSA-N 2 0 367.538 0.112 20 0 FCADRP C[NH+](C)CC1(NC(=O)CSCC(=O)NC2(C[NH+](C)C)CCC2)CCC1 ZINC000466579611 490196664 /nfs/dbraw/zinc/19/66/64/490196664.db2.gz YSSCDKPTBBVQEN-UHFFFAOYSA-N 2 0 370.563 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227667 490204762 /nfs/dbraw/zinc/20/47/62/490204762.db2.gz GTVSIXLAKWRBJJ-HNNXBMFYSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000571430061 491307207 /nfs/dbraw/zinc/30/72/07/491307207.db2.gz ZJNCXSOQXDORNO-HZPDHXFCSA-N 2 0 368.522 0.593 20 0 FCADRP CN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497827640 490219601 /nfs/dbraw/zinc/21/96/01/490219601.db2.gz HOJKPEIAOYEQQP-PMRDEQMMSA-N 2 0 365.522 0.840 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000497945743 490236265 /nfs/dbraw/zinc/23/62/65/490236265.db2.gz CHVGKTRVLOWCDT-HIFRSBDPSA-N 2 0 355.504 0.994 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c2)C1 ZINC000498209460 490273192 /nfs/dbraw/zinc/27/31/92/490273192.db2.gz YQKBMYMEWUMGCU-CABCVRRESA-N 2 0 368.428 0.983 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC000498240002 490275597 /nfs/dbraw/zinc/27/55/97/490275597.db2.gz PKVRTIFMLMYJDN-OWCLPIDISA-N 2 0 353.511 0.698 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000422370340 490282052 /nfs/dbraw/zinc/28/20/52/490282052.db2.gz UHSBFGDGLHMUIF-SFHVURJKSA-N 2 0 373.501 0.967 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000521675041 490289342 /nfs/dbraw/zinc/28/93/42/490289342.db2.gz ZGVNRLMPGMIQKY-DLBZAZTESA-N 2 0 368.522 0.281 20 0 FCADRP COc1nc(N2CC[C@H](C[NH+](C)C)C2)nc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000564587568 491315181 /nfs/dbraw/zinc/31/51/81/491315181.db2.gz ALPBXCDHONLNMR-HUUCEWRRSA-N 2 0 363.510 0.656 20 0 FCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)C2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000571568451 491316303 /nfs/dbraw/zinc/31/63/03/491316303.db2.gz PUUHFLNMGJRKPU-UHFFFAOYSA-N 2 0 358.486 0.693 20 0 FCADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000571568058 491316465 /nfs/dbraw/zinc/31/64/65/491316465.db2.gz JGOOWAZCEJERKQ-GOSISDBHSA-N 2 0 372.517 0.837 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000422427335 490312769 /nfs/dbraw/zinc/31/27/69/490312769.db2.gz DDUACZOBRMUIGE-QGZVFWFLSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000483423206 490316822 /nfs/dbraw/zinc/31/68/22/490316822.db2.gz XXXAAOWJVMESBP-CVEARBPZSA-N 2 0 367.538 0.118 20 0 FCADRP CN(C)CCN(CCN(C)C)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000522019346 490328420 /nfs/dbraw/zinc/32/84/20/490328420.db2.gz DGLWEFHBERQCCY-MRXNPFEDSA-N 2 0 367.515 0.899 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000564643804 491318006 /nfs/dbraw/zinc/31/80/06/491318006.db2.gz ZZCYWCQBCZSDRH-UHFFFAOYSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000508459982 490331381 /nfs/dbraw/zinc/33/13/81/490331381.db2.gz WVMDTQBQZHCHTO-HNNXBMFYSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000522035617 490332697 /nfs/dbraw/zinc/33/26/97/490332697.db2.gz BJOBYHCFQMRCIX-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508560411 490338320 /nfs/dbraw/zinc/33/83/20/490338320.db2.gz ZVALOHNIKGOHIJ-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508560415 490338712 /nfs/dbraw/zinc/33/87/12/490338712.db2.gz ZVALOHNIKGOHIJ-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000483819344 490347513 /nfs/dbraw/zinc/34/75/13/490347513.db2.gz MWSKIMKIQJVDHI-INIZCTEOSA-N 2 0 356.511 0.849 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000422487648 490352772 /nfs/dbraw/zinc/35/27/72/490352772.db2.gz INEUKYIALHHEFX-SJORKVTESA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000498895478 490362933 /nfs/dbraw/zinc/36/29/33/490362933.db2.gz MZMFYLYSGPUFHQ-AWEZNQCLSA-N 2 0 355.527 0.862 20 0 FCADRP CN1Cc2ccccc2[C@H](NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C1 ZINC000534559470 490381353 /nfs/dbraw/zinc/38/13/53/490381353.db2.gz KVFVSZMCSYVAJI-MRXNPFEDSA-N 2 0 359.474 0.764 20 0 FCADRP CN1Cc2ccccc2[C@@H](NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C1 ZINC000534559469 490381535 /nfs/dbraw/zinc/38/15/35/490381535.db2.gz KVFVSZMCSYVAJI-INIZCTEOSA-N 2 0 359.474 0.764 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(C)=O)nn1 ZINC000448853177 490382961 /nfs/dbraw/zinc/38/29/61/490382961.db2.gz NSPRNHPAIZWILH-HNNXBMFYSA-N 2 0 350.467 0.355 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C(N)=O)cn1 ZINC000448851826 490383099 /nfs/dbraw/zinc/38/30/99/490383099.db2.gz GFCBQFIEZAWVEC-OAHLLOKOSA-N 2 0 361.490 0.977 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[NH+](C)C ZINC000411143876 490394700 /nfs/dbraw/zinc/39/47/00/490394700.db2.gz NWQVWABXQYEXII-GFCCVEGCSA-N 2 0 354.426 0.771 20 0 FCADRP CC(=O)N[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000522738296 490398268 /nfs/dbraw/zinc/39/82/68/490398268.db2.gz BSAIGMFIFMTLTL-GOSISDBHSA-N 2 0 361.490 0.871 20 0 FCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000422642568 490439470 /nfs/dbraw/zinc/43/94/70/490439470.db2.gz ZPPDKJIPFBEKMO-BRWVUGGUSA-N 2 0 360.506 0.821 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571745541 491326522 /nfs/dbraw/zinc/32/65/22/491326522.db2.gz ZZFJOSNXTQHTLJ-MOPGFXCFSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000571746819 491326631 /nfs/dbraw/zinc/32/66/31/491326631.db2.gz XMDQAYMTXGWSFY-SFHVURJKSA-N 2 0 351.495 0.326 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000509709222 490454469 /nfs/dbraw/zinc/45/44/69/490454469.db2.gz AKTYAJHOANLONT-HZPDHXFCSA-N 2 0 356.511 0.402 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000509720921 490455723 /nfs/dbraw/zinc/45/57/23/490455723.db2.gz LFLFISXVZSYCAL-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000509731904 490457610 /nfs/dbraw/zinc/45/76/10/490457610.db2.gz XYQNBZFGCWDUFB-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000509723732 490457723 /nfs/dbraw/zinc/45/77/23/490457723.db2.gz GLILLLQLDMIRFG-OAHLLOKOSA-N 2 0 356.511 0.308 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000509723797 490457906 /nfs/dbraw/zinc/45/79/06/490457906.db2.gz ZJWZSNIVLVTTIQ-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP [NH3+]CC1(O)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000564801362 491327702 /nfs/dbraw/zinc/32/77/02/491327702.db2.gz UPDVRDLNTNXGBI-UHFFFAOYSA-N 2 0 360.502 0.684 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428881 490463231 /nfs/dbraw/zinc/46/32/31/490463231.db2.gz ADGXFWYAXHBDPW-HOTGVXAUSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714587 490464900 /nfs/dbraw/zinc/46/49/00/490464900.db2.gz LDHSXUOMQFSXBH-ROUUACIJSA-N 2 0 362.522 0.735 20 0 FCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000422758061 490470338 /nfs/dbraw/zinc/47/03/38/490470338.db2.gz KBWNEMJIYOXWKG-DLBZAZTESA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770982 490475160 /nfs/dbraw/zinc/47/51/60/490475160.db2.gz QYTRATFOQSVSFY-NVXWUHKLSA-N 2 0 353.488 0.925 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422840015 490482635 /nfs/dbraw/zinc/48/26/35/490482635.db2.gz RXHJVNOKNOSGSB-WBVHZDCISA-N 2 0 368.522 0.496 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000523750869 490492163 /nfs/dbraw/zinc/49/21/63/490492163.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 0 369.554 0.668 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422908318 490494768 /nfs/dbraw/zinc/49/47/68/490494768.db2.gz DDXYFUKADOPVDJ-SJORKVTESA-N 2 0 362.474 0.361 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413173882 490497849 /nfs/dbraw/zinc/49/78/49/490497849.db2.gz HOSSUDVBCVQZQU-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000510381844 490512691 /nfs/dbraw/zinc/51/26/91/490512691.db2.gz ZQAXUCWOMLTWPU-ZACQAIPSSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000500458284 490519050 /nfs/dbraw/zinc/51/90/50/490519050.db2.gz SFGYNZZNDGPHTB-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000423055156 490532134 /nfs/dbraw/zinc/53/21/34/490532134.db2.gz CUPZLZWZICICRA-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423058767 490532292 /nfs/dbraw/zinc/53/22/92/490532292.db2.gz DBFSJMDBSCTCHT-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423061115 490533398 /nfs/dbraw/zinc/53/33/98/490533398.db2.gz QDUCKXCBGJCWEW-JZXOWHBKSA-N 2 0 358.486 0.928 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485482486 490533917 /nfs/dbraw/zinc/53/39/17/490533917.db2.gz SHLDWUYFZIUKIR-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558357 490542466 /nfs/dbraw/zinc/54/24/66/490542466.db2.gz BVMHNBRECQCMKW-YJBOKZPZSA-N 2 0 358.486 0.834 20 0 FCADRP Cn1c2ccc(C[NH2+]CCCC[NH+]3CCN(CCO)CC3)cc2oc1=O ZINC000511082595 490559698 /nfs/dbraw/zinc/55/96/98/490559698.db2.gz SUIALRRYITWWOU-UHFFFAOYSA-N 2 0 362.474 0.611 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847808 490563698 /nfs/dbraw/zinc/56/36/98/490563698.db2.gz RVFDAVLFSIAIEU-SCTDSRPQSA-N 2 0 364.534 0.724 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)NCC(=O)c1ccccc1 ZINC000511195688 490569709 /nfs/dbraw/zinc/56/97/09/490569709.db2.gz ARJJUGKMFRZNCD-UHFFFAOYSA-N 2 0 360.502 0.945 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000525127398 490576701 /nfs/dbraw/zinc/57/67/01/490576701.db2.gz DFCFOHOBYUAAPI-UHFFFAOYSA-N 2 0 354.539 0.735 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000486041069 490586382 /nfs/dbraw/zinc/58/63/82/490586382.db2.gz LXZNOQNRGZCEDT-YQFWSFKMSA-N 2 0 350.507 0.489 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000571941753 491339131 /nfs/dbraw/zinc/33/91/31/491339131.db2.gz XVZPTKXLVYPBAW-VVLHAWIVSA-N 2 0 365.522 0.698 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564949762 491339521 /nfs/dbraw/zinc/33/95/21/491339521.db2.gz IICUNAPKBXMSIS-KBPBESRZSA-N 2 0 374.411 0.374 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000486326637 490610119 /nfs/dbraw/zinc/61/01/19/490610119.db2.gz NWWQYJPXXKLHFO-GJZGRUSLSA-N 2 0 362.478 0.125 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)CC1 ZINC000525684492 490618547 /nfs/dbraw/zinc/61/85/47/490618547.db2.gz SNCDIAXDGXDMSW-QYZOEREBSA-N 2 0 355.523 0.643 20 0 FCADRP CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000501600109 490620252 /nfs/dbraw/zinc/62/02/52/490620252.db2.gz GIZIKYRRDZLSMY-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688397 490620761 /nfs/dbraw/zinc/62/07/61/490620761.db2.gz BZLAYWPLYQOGNW-HZPDHXFCSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615176 490623651 /nfs/dbraw/zinc/62/36/51/490623651.db2.gz VDHOLJCSYXRVCC-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619632 490624194 /nfs/dbraw/zinc/62/41/94/490624194.db2.gz CQXMJFJLEKSDGB-UWWQBHOKSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635158 490627622 /nfs/dbraw/zinc/62/76/22/490627622.db2.gz FTTRTQVHPIDRSM-CVEARBPZSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000572001990 491342513 /nfs/dbraw/zinc/34/25/13/491342513.db2.gz XXCXOMRPEOQOAY-KBPBESRZSA-N 2 0 350.463 0.485 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000564985748 491343576 /nfs/dbraw/zinc/34/35/76/491343576.db2.gz MKSVHGYNWOGJJF-NWANDNLSSA-N 2 0 363.458 0.998 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000564990169 491344600 /nfs/dbraw/zinc/34/46/00/491344600.db2.gz MRGMZYCFGKDALD-GOSISDBHSA-N 3 0 353.555 0.722 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C ZINC000486992135 490684802 /nfs/dbraw/zinc/68/48/02/490684802.db2.gz YRMMGGIEERDYOK-XFZGEKFBSA-N 2 0 364.534 0.830 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000572055615 491345849 /nfs/dbraw/zinc/34/58/49/491345849.db2.gz KVWVHVOYYWXVDJ-INIZCTEOSA-N 2 0 368.547 0.436 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000572059416 491345936 /nfs/dbraw/zinc/34/59/36/491345936.db2.gz GYZSKRYNSYAAPG-HOTGVXAUSA-N 2 0 351.495 0.452 20 0 FCADRP C[C@@H](O)CN1CCN(C(=O)c2cc3c(ncnc3N(C)C)n2C)[C@@H](C)C1 ZINC000527004275 490692022 /nfs/dbraw/zinc/69/20/22/490692022.db2.gz JGOCBMMSRWFOPR-QWHCGFSZSA-N 2 0 360.462 0.561 20 0 FCADRP Cn1ncc(Br)c1C[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000487305861 490703981 /nfs/dbraw/zinc/70/39/81/490703981.db2.gz VXRJEANVSMEWHO-UHFFFAOYSA-N 2 0 374.327 0.662 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557001613 491348517 /nfs/dbraw/zinc/34/85/17/491348517.db2.gz UPIHXHPWQYSVJI-RDJZCZTQSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000502777030 490721278 /nfs/dbraw/zinc/72/12/78/490721278.db2.gz KVOJFNRWFJFBJW-HNNXBMFYSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015090 491349759 /nfs/dbraw/zinc/34/97/59/491349759.db2.gz BFCQJIWTYSNGKR-IAGOWNOFSA-N 2 0 367.538 0.070 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000488641705 490769512 /nfs/dbraw/zinc/76/95/12/490769512.db2.gz FFCKPGXDYWXHDI-QGZVFWFLSA-N 2 0 350.507 0.528 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000514617634 490776145 /nfs/dbraw/zinc/77/61/45/490776145.db2.gz MMQPTWPTGQSYPN-SFHVURJKSA-N 2 0 360.502 0.830 20 0 FCADRP CC[NH+](CC)CCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000514673496 490780299 /nfs/dbraw/zinc/78/02/99/490780299.db2.gz FOHKMNDCQGIUMR-INIZCTEOSA-N 2 0 359.536 0.734 20 0 FCADRP CN1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000557137527 491356269 /nfs/dbraw/zinc/35/62/69/491356269.db2.gz UKIUACHSWIBFMC-IBGZPJMESA-N 3 0 374.533 0.089 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000515005796 490802282 /nfs/dbraw/zinc/80/22/82/490802282.db2.gz PSNJVCVRSMGKJM-QGZVFWFLSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000572234250 491357162 /nfs/dbraw/zinc/35/71/62/491357162.db2.gz MQPTZMGCRACNKV-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000515091346 490808449 /nfs/dbraw/zinc/80/84/49/490808449.db2.gz FEUXAVDJNRBMTP-LSDHHAIUSA-N 2 0 366.506 0.297 20 0 FCADRP O=c1cc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)nc2ccccn12 ZINC000515158444 490810759 /nfs/dbraw/zinc/81/07/59/490810759.db2.gz JKOWSUFIRIVFAP-UHFFFAOYSA-N 2 0 371.485 0.581 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000505322177 490826882 /nfs/dbraw/zinc/82/68/82/490826882.db2.gz CYBMPTQULWQGER-UHFFFAOYSA-N 2 0 366.510 0.960 20 0 FCADRP CCOc1ccccc1CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@H](C)C1 ZINC000515525634 490830403 /nfs/dbraw/zinc/83/04/03/490830403.db2.gz VIRIOZOCCJJBEX-CQSZACIVSA-N 2 0 360.458 0.206 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000540696194 490833684 /nfs/dbraw/zinc/83/36/84/490833684.db2.gz KKNMIKWIPAWADV-QZTJIDSGSA-N 2 0 373.501 0.715 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672708 490835301 /nfs/dbraw/zinc/83/53/01/490835301.db2.gz JEHVNLKEEHHRDX-RCCFBDPRSA-N 2 0 371.485 0.777 20 0 FCADRP [NH3+]C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000515810868 490839292 /nfs/dbraw/zinc/83/92/92/490839292.db2.gz CGSFBZAVCAVXJJ-KRWDZBQOSA-N 2 0 355.442 0.571 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cn2)CC1 ZINC000529291416 490848139 /nfs/dbraw/zinc/84/81/39/490848139.db2.gz YOTVQVMSDMJRCB-INIZCTEOSA-N 2 0 358.490 0.917 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529305073 490848925 /nfs/dbraw/zinc/84/89/25/490848925.db2.gz HMOSJXKEGLNLQM-WMZOPIPTSA-N 2 0 367.538 0.422 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516091233 490850042 /nfs/dbraw/zinc/85/00/42/490850042.db2.gz GCOLOIXNOXOKTA-ZIAGYGMSSA-N 2 0 361.446 0.533 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000529336738 490854531 /nfs/dbraw/zinc/85/45/31/490854531.db2.gz GIWGZAPEGZBNDP-VYDXJSESSA-N 2 0 351.495 0.273 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000529374786 490857069 /nfs/dbraw/zinc/85/70/69/490857069.db2.gz HZWQWAPOVDXGHP-INIZCTEOSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000516384306 490862315 /nfs/dbraw/zinc/86/23/15/490862315.db2.gz ABZIDGUMROGEBD-HNNXBMFYSA-N 2 0 350.467 0.631 20 0 FCADRP C[C@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1 ZINC000541693199 490869358 /nfs/dbraw/zinc/86/93/58/490869358.db2.gz KBVQXWIISIWRPG-HOTGVXAUSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000516635197 490871809 /nfs/dbraw/zinc/87/18/09/490871809.db2.gz QSSSJVWATUSHSC-LSDHHAIUSA-N 2 0 368.865 0.164 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660094 490873638 /nfs/dbraw/zinc/87/36/38/490873638.db2.gz KSVYRHAJXLQSSD-GDBMZVCRSA-N 2 0 373.519 0.527 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000557205844 491359766 /nfs/dbraw/zinc/35/97/66/491359766.db2.gz HIRSDVDIBYKWPC-HDICACEKSA-N 2 0 366.554 0.092 20 0 FCADRP O=C1[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1C1CCCCC1 ZINC000530124315 490889686 /nfs/dbraw/zinc/88/96/86/490889686.db2.gz GFFABFHTNCXIOQ-LJQANCHMSA-N 2 0 366.550 0.900 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517059597 490893739 /nfs/dbraw/zinc/89/37/39/490893739.db2.gz WGLOTFUUSCVPOQ-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243392 490895229 /nfs/dbraw/zinc/89/52/29/490895229.db2.gz XSUBYMOWFIUEMG-FUHWJXTLSA-N 2 0 352.523 0.630 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000557225509 491360406 /nfs/dbraw/zinc/36/04/06/491360406.db2.gz FPWOUUMFQULVJK-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000542778709 490909296 /nfs/dbraw/zinc/90/92/96/490909296.db2.gz HHFIZSRMCNVUBO-ZCNNSNEGSA-N 2 0 372.513 0.376 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517573274 490913204 /nfs/dbraw/zinc/91/32/04/490913204.db2.gz WPMDWOVKJWDDEF-KZNAEPCWSA-N 2 0 370.538 0.878 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517719275 490917930 /nfs/dbraw/zinc/91/79/30/490917930.db2.gz OSPKJSJFEPKZKO-FQEVSTJZSA-N 2 0 373.545 0.951 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000517969772 490926568 /nfs/dbraw/zinc/92/65/68/490926568.db2.gz RLBFEYCKEVUQQO-UHFFFAOYSA-N 2 0 354.882 0.908 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000518290724 490936184 /nfs/dbraw/zinc/93/61/84/490936184.db2.gz OEQOIJQAWLHAQH-HNNXBMFYSA-N 2 0 355.527 0.959 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531052841 490937625 /nfs/dbraw/zinc/93/76/25/490937625.db2.gz LESIGPLJBASIRG-HXUWFJFHSA-N 2 0 360.502 0.377 20 0 FCADRP C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)CN1CC[NH+](C)CC1 ZINC000518366104 490937774 /nfs/dbraw/zinc/93/77/74/490937774.db2.gz STQHNONFBBGVPO-HZPDHXFCSA-N 2 0 374.485 0.117 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cn(Cc2cccs2)nn1 ZINC000531119070 490941675 /nfs/dbraw/zinc/94/16/75/490941675.db2.gz ZRSQGZJCCZWJHR-UHFFFAOYSA-N 2 0 350.492 0.953 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000518443095 490942042 /nfs/dbraw/zinc/94/20/42/490942042.db2.gz FRNZZYAQVXLOCC-IXDOHACOSA-N 2 0 367.538 0.993 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000572381602 491366192 /nfs/dbraw/zinc/36/61/92/491366192.db2.gz QBDRYKGTAVDSQO-UXLLHSPISA-N 2 0 351.495 0.369 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000518814438 490952664 /nfs/dbraw/zinc/95/26/64/490952664.db2.gz FHPNPEKPZSWXCI-QGZVFWFLSA-N 2 0 373.501 0.620 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CCOCC2(C)C)CC1 ZINC000518813917 490952789 /nfs/dbraw/zinc/95/27/89/490952789.db2.gz DSNIUXIFLJHPFV-MRXNPFEDSA-N 2 0 356.511 0.489 20 0 FCADRP CCC1(CC)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000531357845 490953544 /nfs/dbraw/zinc/95/35/44/490953544.db2.gz GCFLKGAQUSDBFL-UHFFFAOYSA-N 2 0 355.483 0.049 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970591 490957273 /nfs/dbraw/zinc/95/72/73/490957273.db2.gz JAUNKWXJDODRMB-PMPSAXMXSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000518995707 490958498 /nfs/dbraw/zinc/95/84/98/490958498.db2.gz GNZYDYAWGWLWQK-RCCFBDPRSA-N 2 0 352.523 0.628 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000518995706 490958517 /nfs/dbraw/zinc/95/85/17/490958517.db2.gz GNZYDYAWGWLWQK-KSZLIROESA-N 2 0 352.523 0.628 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000519407562 490971301 /nfs/dbraw/zinc/97/13/01/490971301.db2.gz PFCGCCZLQSXGKH-UHFFFAOYSA-N 2 0 358.450 0.416 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000544668634 490975223 /nfs/dbraw/zinc/97/52/23/490975223.db2.gz WTRJLVFQMOTVDW-DOTOQJQBSA-N 2 0 367.538 0.946 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000519690580 490984187 /nfs/dbraw/zinc/98/41/87/490984187.db2.gz GHBVPZDNZPMNEY-GJZGRUSLSA-N 2 0 358.408 0.899 20 0 FCADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166165 /nfs/dbraw/zinc/16/61/65/491166165.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 2 0 357.539 0.747 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(C)C ZINC000553961865 491166987 /nfs/dbraw/zinc/16/69/87/491166987.db2.gz MWVSXFGLROZBKT-UHFFFAOYSA-N 2 0 370.538 0.839 20 0 FCADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)COC1CCOCC1 ZINC000569568174 491169150 /nfs/dbraw/zinc/16/91/50/491169150.db2.gz GLLHXLMYRMUNMC-QRQLOZEOSA-N 2 0 356.507 0.900 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000554029322 491170942 /nfs/dbraw/zinc/17/09/42/491170942.db2.gz GKDCGXIPDJVQFP-CVEARBPZSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC)CC2)C1 ZINC000562773682 491187987 /nfs/dbraw/zinc/18/79/87/491187987.db2.gz PKXIFTSOKSIWFR-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP COC(=O)Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000572446678 491371240 /nfs/dbraw/zinc/37/12/40/491371240.db2.gz CBSIKVHBHPBISW-UHFFFAOYSA-N 2 0 371.503 0.516 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000565372710 491373159 /nfs/dbraw/zinc/37/31/59/491373159.db2.gz NDRMRMZTRJYIEG-FHLIZLRMSA-N 2 0 371.485 0.387 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270751 493337232 /nfs/dbraw/zinc/33/72/32/493337232.db2.gz PMAMTGCFDQDNGE-NVXWUHKLSA-N 2 0 359.474 0.529 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000673512510 493338082 /nfs/dbraw/zinc/33/80/82/493338082.db2.gz CVCOYKQPZCGXEB-RZFLPCETSA-N 2 0 353.507 0.788 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557554532 491382358 /nfs/dbraw/zinc/38/23/58/491382358.db2.gz MPDKFALJADESOM-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000557561599 491383215 /nfs/dbraw/zinc/38/32/15/491383215.db2.gz OHMDCVSBUPEYAC-HUUCEWRRSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000565668534 491392448 /nfs/dbraw/zinc/39/24/48/491392448.db2.gz BPBCXQKIKSZAOI-BZUAXINKSA-N 2 0 351.495 0.308 20 0 FCADRP Cc1nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1C ZINC000565676404 491392922 /nfs/dbraw/zinc/39/29/22/491392922.db2.gz WRJGTFCWHUZRIY-UHFFFAOYSA-N 2 0 355.508 0.328 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000565672249 491392967 /nfs/dbraw/zinc/39/29/67/491392967.db2.gz ZFMXLGNALQBTAK-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557741273 491395111 /nfs/dbraw/zinc/39/51/11/491395111.db2.gz JSFQEICDJGYXTI-INIZCTEOSA-N 3 0 367.538 0.071 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764343 491398327 /nfs/dbraw/zinc/39/83/27/491398327.db2.gz GEJWIGCZUOWMCB-RBUKOAKNSA-N 2 0 359.518 0.848 20 0 FCADRP CN1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000566067303 491415364 /nfs/dbraw/zinc/41/53/64/491415364.db2.gz UTBMRMOWGZJGSV-HNNXBMFYSA-N 2 0 366.487 0.114 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000558210941 491420032 /nfs/dbraw/zinc/42/00/32/491420032.db2.gz WYLBTMNESTUSBT-CABCVRRESA-N 2 0 354.495 0.155 20 0 FCADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000566180281 491423426 /nfs/dbraw/zinc/42/34/26/491423426.db2.gz APNZADNHBNSLIO-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+]CCCn1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000566197103 491424837 /nfs/dbraw/zinc/42/48/37/491424837.db2.gz JHBDLBMLDUUIMS-UHFFFAOYSA-N 2 0 364.494 0.592 20 0 FCADRP [NH3+]C1(CNC(=O)CCN2C(=O)CCC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000566207306 491425770 /nfs/dbraw/zinc/42/57/70/491425770.db2.gz BUASWEOPOZLLCU-UHFFFAOYSA-N 2 0 372.469 0.635 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000573429788 491432639 /nfs/dbraw/zinc/43/26/39/491432639.db2.gz YVXOWZMMESGZJM-MRXNPFEDSA-N 2 0 351.495 0.326 20 0 FCADRP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000573441207 491433564 /nfs/dbraw/zinc/43/35/64/491433564.db2.gz AQBYMCRZAYCXEY-HXUWFJFHSA-N 2 0 374.485 0.949 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348243 491438343 /nfs/dbraw/zinc/43/83/43/491438343.db2.gz QZPBJIYWTLKQFN-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)Nc1nc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000558609016 491438628 /nfs/dbraw/zinc/43/86/28/491438628.db2.gz DVJXVFZJZIUBLC-HOCLYGCPSA-N 2 0 373.505 0.465 20 0 FCADRP C[C@@H]([NH2+]CCC(=O)NC(N)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000573595338 491443007 /nfs/dbraw/zinc/44/30/07/491443007.db2.gz JPMIXNUCMLDTAD-GFCCVEGCSA-N 2 0 351.426 0.813 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495091 491448447 /nfs/dbraw/zinc/44/84/47/491448447.db2.gz COOIKVBYPBQRNU-AEFFLSMTSA-N 2 0 356.470 0.613 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496565 491448938 /nfs/dbraw/zinc/44/89/38/491448938.db2.gz SAUHAULPYJQSRS-FGTMMUONSA-N 2 0 356.470 0.669 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512659 491450322 /nfs/dbraw/zinc/45/03/22/491450322.db2.gz NHIUZAAZISOZLG-QZTJIDSGSA-N 2 0 371.485 0.736 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@H]1O ZINC000573722890 491450659 /nfs/dbraw/zinc/45/06/59/491450659.db2.gz ZLSPZBGMBRZKGX-FGYAAKKASA-N 2 0 364.486 0.037 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@@H]1O ZINC000573722902 491450666 /nfs/dbraw/zinc/45/06/66/491450666.db2.gz ZLSPZBGMBRZKGX-YRPNKDGESA-N 2 0 364.486 0.037 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000566673245 491459409 /nfs/dbraw/zinc/45/94/09/491459409.db2.gz FKFCRIVFRYPJBE-IJEWVQPXSA-N 2 0 351.447 0.110 20 0 FCADRP C[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000559264884 491459459 /nfs/dbraw/zinc/45/94/59/491459459.db2.gz HJRSTWNKMKHZKT-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573932094 491463865 /nfs/dbraw/zinc/46/38/65/491463865.db2.gz BWTSMMYWRJLQEQ-CVEARBPZSA-N 2 0 368.547 0.660 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)N(C)C)CCN1C ZINC000559360639 491466893 /nfs/dbraw/zinc/46/68/93/491466893.db2.gz MKIHDHOUSYUMDZ-CABCVRRESA-N 2 0 350.463 0.797 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000559390875 491469988 /nfs/dbraw/zinc/46/99/88/491469988.db2.gz CCJISKWRFVKABZ-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000574111990 491475411 /nfs/dbraw/zinc/47/54/11/491475411.db2.gz WEXNGDBTRFKKES-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000574150393 491477299 /nfs/dbraw/zinc/47/72/99/491477299.db2.gz BJSLKVFWVAWBLO-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000574151067 491477724 /nfs/dbraw/zinc/47/77/24/491477724.db2.gz UCERAXHMTSKUIU-RBUKOAKNSA-N 2 0 368.485 0.915 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000559563234 491481665 /nfs/dbraw/zinc/48/16/65/491481665.db2.gz HHZHIQGOIUYUGZ-OAHLLOKOSA-N 2 0 350.507 0.990 20 0 FCADRP CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484642 /nfs/dbraw/zinc/48/46/42/491484642.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 2 0 361.490 0.038 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567098799 491485644 /nfs/dbraw/zinc/48/56/44/491485644.db2.gz CENZNVQCFMSELR-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCCC1 ZINC000567250578 491494791 /nfs/dbraw/zinc/49/47/91/491494791.db2.gz PKGMCOFXFBMHMS-BBWFWOEESA-N 2 0 365.522 0.840 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000559746811 491495311 /nfs/dbraw/zinc/49/53/11/491495311.db2.gz FPCZROWLLVPZJL-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000559763631 491497418 /nfs/dbraw/zinc/49/74/18/491497418.db2.gz QUOKPPUAGSKDIS-IRXDYDNUSA-N 2 0 352.523 0.929 20 0 FCADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000574452517 491497652 /nfs/dbraw/zinc/49/76/52/491497652.db2.gz BGKDNHAUKFSBHZ-UHFFFAOYSA-N 2 0 351.495 0.370 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463585 491499018 /nfs/dbraw/zinc/49/90/18/491499018.db2.gz ZHSXNNQNKDHFIF-DLBZAZTESA-N 2 0 352.523 0.949 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559781205 491499179 /nfs/dbraw/zinc/49/91/79/491499179.db2.gz WRUUBZNDHPLOEU-ZACQAIPSSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C1 ZINC000567480135 491508535 /nfs/dbraw/zinc/50/85/35/491508535.db2.gz BUXVTPGKJWOVQD-GASCZTMLSA-N 2 0 358.486 0.869 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000559905508 491509336 /nfs/dbraw/zinc/50/93/36/491509336.db2.gz VUEBJROTBZXYPL-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567494193 491510229 /nfs/dbraw/zinc/51/02/29/491510229.db2.gz UEDLOJRVJYPSFE-WBVHZDCISA-N 2 0 365.474 0.438 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741438 491517303 /nfs/dbraw/zinc/51/73/03/491517303.db2.gz HBWJVTXNALWGAI-IAGOWNOFSA-N 2 0 353.511 0.032 20 0 FCADRP Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567650047 491520348 /nfs/dbraw/zinc/52/03/48/491520348.db2.gz PVZYXNPRUTYKMB-CYBMUJFWSA-N 2 0 367.494 0.463 20 0 FCADRP Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567650048 491520546 /nfs/dbraw/zinc/52/05/46/491520546.db2.gz PVZYXNPRUTYKMB-ZDUSSCGKSA-N 2 0 367.494 0.463 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000575052583 491536015 /nfs/dbraw/zinc/53/60/15/491536015.db2.gz CCMFNXFAQGIEDU-WBVHZDCISA-N 2 0 352.479 0.335 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000575178121 491543581 /nfs/dbraw/zinc/54/35/81/491543581.db2.gz JKTHOOLTDBGTGG-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321356 491548660 /nfs/dbraw/zinc/54/86/60/491548660.db2.gz YLOQAPUNRUZXTA-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000575335152 491549394 /nfs/dbraw/zinc/54/93/94/491549394.db2.gz OVPRQJJOKNJCPU-UHFFFAOYSA-N 2 0 370.538 0.886 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000560664223 491550884 /nfs/dbraw/zinc/55/08/84/491550884.db2.gz ZKRCAFFLOQKUHA-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000560663936 491550957 /nfs/dbraw/zinc/55/09/57/491550957.db2.gz YNRZQYUROHESOG-AYBZRNKSSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568059266 491551267 /nfs/dbraw/zinc/55/12/67/491551267.db2.gz GAIFPZMHYZAZJW-HOTGVXAUSA-N 2 0 351.495 0.324 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000560932617 491565683 /nfs/dbraw/zinc/56/56/83/491565683.db2.gz JRMQAMALXHTISJ-NSHGMRRFSA-N 2 0 369.550 0.891 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000561012608 491570473 /nfs/dbraw/zinc/57/04/73/491570473.db2.gz LDLSEMUUINOAGW-HUUCEWRRSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000568373558 491572203 /nfs/dbraw/zinc/57/22/03/491572203.db2.gz FZMVBOXZEJVIJZ-UGUYLWEFSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000575985012 491573988 /nfs/dbraw/zinc/57/39/88/491573988.db2.gz WEMQNBGCVWCHSQ-KRWDZBQOSA-N 2 0 359.474 0.241 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000576015911 491576493 /nfs/dbraw/zinc/57/64/93/491576493.db2.gz FOMXRPGYELZSTB-BRSBDYLESA-N 2 0 362.518 0.968 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000561224101 491586186 /nfs/dbraw/zinc/58/61/86/491586186.db2.gz KQKHGQQCLJCIDL-USXIJHARSA-N 2 0 350.438 0.888 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000584398971 491586373 /nfs/dbraw/zinc/58/63/73/491586373.db2.gz GEUOJVGXSFQQGY-SFHVURJKSA-N 2 0 374.485 0.080 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000673650360 493352765 /nfs/dbraw/zinc/35/27/65/493352765.db2.gz OQJIDUYEGAZRGG-IRXDYDNUSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000577085001 491588695 /nfs/dbraw/zinc/58/86/95/491588695.db2.gz QKHMMDBMPMHLGK-CABCVRRESA-N 2 0 368.547 0.660 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000568609343 491591582 /nfs/dbraw/zinc/59/15/82/491591582.db2.gz QSDKSCURZWPJQO-CVEARBPZSA-N 2 0 351.495 0.357 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000660469815 493353541 /nfs/dbraw/zinc/35/35/41/493353541.db2.gz KWEKIAWDBRTCPQ-SFHVURJKSA-N 2 0 352.523 0.774 20 0 FCADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661641 493354147 /nfs/dbraw/zinc/35/41/47/493354147.db2.gz JZEJOBOPQPGAKT-ICSRJNTNSA-N 2 0 361.486 0.850 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000561355567 491600459 /nfs/dbraw/zinc/60/04/59/491600459.db2.gz DMPKMNZPDSJOEQ-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000577270230 491608500 /nfs/dbraw/zinc/60/85/00/491608500.db2.gz WXBLDUQHEIXENJ-MRXNPFEDSA-N 2 0 358.446 0.863 20 0 FCADRP CCN1CCN(C(=O)CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)CC1 ZINC000576469585 491617603 /nfs/dbraw/zinc/61/76/03/491617603.db2.gz QCNGMJJAHPXZBG-UHFFFAOYSA-N 2 0 351.539 0.158 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000568984875 491624281 /nfs/dbraw/zinc/62/42/81/491624281.db2.gz XJPVXSZNZTYNGX-JKSUJKDBSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000569002301 491625911 /nfs/dbraw/zinc/62/59/11/491625911.db2.gz ASJHJHOKMIZYGD-VGWMRTNUSA-N 2 0 368.522 0.576 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000576589845 491627424 /nfs/dbraw/zinc/62/74/24/491627424.db2.gz FPXJVTYLBLRLOG-GFCCVEGCSA-N 2 0 354.476 0.722 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CCN2C1=O ZINC000577510151 491628344 /nfs/dbraw/zinc/62/83/44/491628344.db2.gz WOBSGXYDCKNSCG-SJORKVTESA-N 2 0 374.510 0.619 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)C ZINC000561743242 491628447 /nfs/dbraw/zinc/62/84/47/491628447.db2.gz MEJNXULIYKEMGI-IAGOWNOFSA-N 2 0 368.522 0.327 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554956 491632082 /nfs/dbraw/zinc/63/20/82/491632082.db2.gz NSMQUCCHWVKXKV-HOTGVXAUSA-N 2 0 366.506 0.370 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001720 491646873 /nfs/dbraw/zinc/64/68/73/491646873.db2.gz OOSDDZPSSASEEV-HUUCEWRRSA-N 2 0 350.463 0.769 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cn(CC[NH3+])nn1 ZINC000576838738 491649047 /nfs/dbraw/zinc/64/90/47/491649047.db2.gz SYYJLNPMVRPOFQ-UHFFFAOYSA-N 2 0 350.389 0.973 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@H]2CC[C@H](C)C2)C1 ZINC000562038155 491650169 /nfs/dbraw/zinc/65/01/69/491650169.db2.gz LLDABTCZUGDYGA-OKZBNKHCSA-N 2 0 355.523 0.942 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000569353901 491655062 /nfs/dbraw/zinc/65/50/62/491655062.db2.gz IWFJSWWILDFGGF-CVEARBPZSA-N 2 0 366.506 0.251 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000576958345 491660191 /nfs/dbraw/zinc/66/01/91/491660191.db2.gz GFDYACWTMKOYCM-KRWDZBQOSA-N 2 0 362.474 0.756 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000578095639 491669862 /nfs/dbraw/zinc/66/98/62/491669862.db2.gz YAMIZPNQHXKQHX-SJORKVTESA-N 2 0 366.506 0.035 20 0 FCADRP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097302 491669985 /nfs/dbraw/zinc/66/99/85/491669985.db2.gz QZTHJEKESQUKSS-HZPDHXFCSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251754 491673401 /nfs/dbraw/zinc/67/34/01/491673401.db2.gz ODUYYNJZTRMZRL-HOTGVXAUSA-N 2 0 366.506 0.204 20 0 FCADRP COCC1(CNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC[NH2+]CC1 ZINC000578306540 491674220 /nfs/dbraw/zinc/67/42/20/491674220.db2.gz PXGYJYAHVSJLQA-IRXDYDNUSA-N 2 0 368.522 0.945 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313964 491674421 /nfs/dbraw/zinc/67/44/21/491674421.db2.gz GXTHYDAFZRFJAI-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000578533432 491679310 /nfs/dbraw/zinc/67/93/10/491679310.db2.gz LPOHHTHHNWSMDB-PWSUYJOCSA-N 2 0 352.357 0.203 20 0 FCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000578551894 491679801 /nfs/dbraw/zinc/67/98/01/491679801.db2.gz MGZRRVZSKYZAHE-MRXNPFEDSA-N 2 0 361.490 0.121 20 0 FCADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CNC(=O)C[NH3+] ZINC000578624739 491681099 /nfs/dbraw/zinc/68/10/99/491681099.db2.gz QLVWMWBSRXDVCQ-INIZCTEOSA-N 2 0 370.457 0.652 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000578692788 491682446 /nfs/dbraw/zinc/68/24/46/491682446.db2.gz GRHNFAJXQWMJKC-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[N@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC000578734056 491683232 /nfs/dbraw/zinc/68/32/32/491683232.db2.gz HTYKMZZVELXAAO-HNNXBMFYSA-N 2 0 356.536 0.532 20 0 FCADRP O=C(CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000578970821 491687946 /nfs/dbraw/zinc/68/79/46/491687946.db2.gz RZWUQPVQHCSPGF-UHFFFAOYSA-N 2 0 359.474 0.336 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000579091396 491690688 /nfs/dbraw/zinc/69/06/88/491690688.db2.gz SPJBEEQHVFFSMG-OALUTQOASA-N 2 0 374.533 0.981 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000579260372 491694345 /nfs/dbraw/zinc/69/43/45/491694345.db2.gz RDUADCNEFIUJNT-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP CCN1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@H]1C ZINC000579364522 491696461 /nfs/dbraw/zinc/69/64/61/491696461.db2.gz LURBQKVNLHYJDF-CABCVRRESA-N 2 0 361.490 0.819 20 0 FCADRP CS[C@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000579391860 491697136 /nfs/dbraw/zinc/69/71/36/491697136.db2.gz IDPSKMJEBMDFLJ-CABCVRRESA-N 2 0 358.552 0.729 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461753 491698200 /nfs/dbraw/zinc/69/82/00/491698200.db2.gz PIFKOKIQLTUMIK-JKSUJKDBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CC[NH2+]CC2 ZINC000579464473 491698355 /nfs/dbraw/zinc/69/83/55/491698355.db2.gz TYTYUPKNPUDETR-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@]([NH3+])(C(=O)N1CCC(O)(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000579591137 491701254 /nfs/dbraw/zinc/70/12/54/491701254.db2.gz VCPIGHFVUUWCPX-AWEZNQCLSA-N 2 0 356.264 0.935 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000579622551 491701859 /nfs/dbraw/zinc/70/18/59/491701859.db2.gz UHWVOEZGLDSMTB-GOSISDBHSA-N 2 0 368.547 0.531 20 0 FCADRP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000579809284 491705596 /nfs/dbraw/zinc/70/55/96/491705596.db2.gz RPZKZGCDSRCGAX-WCXIOVBPSA-N 2 0 374.551 0.346 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579822495 491705985 /nfs/dbraw/zinc/70/59/85/491705985.db2.gz WHEFFQVPKIIPLP-KSZLIROESA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](CC)O1 ZINC000579944052 491710305 /nfs/dbraw/zinc/71/03/05/491710305.db2.gz MICXEMDRQIMVIV-IYBDPMFKSA-N 2 0 356.511 0.354 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC000584736162 491712376 /nfs/dbraw/zinc/71/23/76/491712376.db2.gz WNCNJMGZXJSTCK-GOSISDBHSA-N 2 0 370.563 0.873 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000580125461 491718727 /nfs/dbraw/zinc/71/87/27/491718727.db2.gz KWUZZPCOGZUHAT-SQWLQELKSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172805 491720115 /nfs/dbraw/zinc/72/01/15/491720115.db2.gz ZXAAZFKGCLKMLB-RDJZCZTQSA-N 2 0 359.474 0.553 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000580212621 491722048 /nfs/dbraw/zinc/72/20/48/491722048.db2.gz SEDYNSJFNCACKR-YNEHKIRRSA-N 2 0 354.476 0.781 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580484583 491733137 /nfs/dbraw/zinc/73/31/37/491733137.db2.gz SYQDUYLIHUNFKQ-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000580543531 491735253 /nfs/dbraw/zinc/73/52/53/491735253.db2.gz GXHPLEPRDIFJLX-BDUQCRIQSA-N 2 0 369.550 0.814 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000580710249 491742438 /nfs/dbraw/zinc/74/24/38/491742438.db2.gz XLHNCTOXXBKVOK-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000580889706 491750369 /nfs/dbraw/zinc/75/03/69/491750369.db2.gz BIRLTTDFJIWCHZ-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000580910240 491751527 /nfs/dbraw/zinc/75/15/27/491751527.db2.gz IMGCUVNTQDGSSU-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000581067259 491757806 /nfs/dbraw/zinc/75/78/06/491757806.db2.gz FRJHXKTUZWJSPV-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000581067258 491757927 /nfs/dbraw/zinc/75/79/27/491757927.db2.gz FRJHXKTUZWJSPV-IRXDYDNUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000590314816 491773373 /nfs/dbraw/zinc/77/33/73/491773373.db2.gz CUWVERRQGGGNQL-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000683675844 493364043 /nfs/dbraw/zinc/36/40/43/493364043.db2.gz NEPYQCUPOYZQGB-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000582003745 491793826 /nfs/dbraw/zinc/79/38/26/491793826.db2.gz XLAFJBGKJLAKIN-GJZGRUSLSA-N 2 0 356.511 0.578 20 0 FCADRP O=C(CN1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000582053263 491795733 /nfs/dbraw/zinc/79/57/33/491795733.db2.gz SXKXLGTXQIJTKI-CYBMUJFWSA-N 2 0 368.384 0.926 20 0 FCADRP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@@H](C)C1 ZINC000582067598 491796788 /nfs/dbraw/zinc/79/67/88/491796788.db2.gz APKNAIHTOMJEEN-GASCZTMLSA-N 2 0 363.510 0.941 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)S(C)(=O)=O ZINC000582122844 491798793 /nfs/dbraw/zinc/79/87/93/491798793.db2.gz GVTQKLFVFAVPKU-ARFHVFGLSA-N 2 0 374.551 0.222 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000582414632 491811373 /nfs/dbraw/zinc/81/13/73/491811373.db2.gz QRRXXLZTFOWGDN-RBUKOAKNSA-N 2 0 370.497 0.789 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476475 491814142 /nfs/dbraw/zinc/81/41/42/491814142.db2.gz ZHQRWHRQINAUFX-PBHICJAKSA-N 2 0 356.536 0.821 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000582487163 491814476 /nfs/dbraw/zinc/81/44/76/491814476.db2.gz YBHVTVONMNVMBW-JJXSEGSLSA-N 2 0 356.511 0.482 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000582485572 491814693 /nfs/dbraw/zinc/81/46/93/491814693.db2.gz SNTPXUAYWGLLBR-HZPDHXFCSA-N 2 0 363.510 0.258 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582664109 491821595 /nfs/dbraw/zinc/82/15/95/491821595.db2.gz ZTPWAJQLLBIXPR-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000582670460 491822090 /nfs/dbraw/zinc/82/20/90/491822090.db2.gz YRVVBVAYKHPMPD-ROUUACIJSA-N 2 0 364.534 0.679 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@H]21 ZINC000582846036 491829144 /nfs/dbraw/zinc/82/91/44/491829144.db2.gz UVSIKWDPIOPUPP-BRWVUGGUSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142733 491838814 /nfs/dbraw/zinc/83/88/14/491838814.db2.gz IXHGPKVMRCPRDQ-HKUYNNGSSA-N 2 0 354.458 0.832 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000583371988 491843456 /nfs/dbraw/zinc/84/34/56/491843456.db2.gz WTIBLHPRWSSTIB-NVXWUHKLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467618 491845545 /nfs/dbraw/zinc/84/55/45/491845545.db2.gz JLLVJOMCZZQANO-RDJZCZTQSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079037 491858036 /nfs/dbraw/zinc/85/80/36/491858036.db2.gz KYEPDXOWUHIFCU-KCYZZUKISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000584172769 491860017 /nfs/dbraw/zinc/86/00/17/491860017.db2.gz DLXPXVNUOHOQBK-KBPBESRZSA-N 2 0 352.454 0.958 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000601369156 491909769 /nfs/dbraw/zinc/90/97/69/491909769.db2.gz CGOZEKZGASJBFP-SFHVURJKSA-N 2 0 372.579 0.902 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000595295104 491914079 /nfs/dbraw/zinc/91/40/79/491914079.db2.gz DYTYOSXSKGIGSC-INIZCTEOSA-N 2 0 353.463 0.195 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000612551759 491934221 /nfs/dbraw/zinc/93/42/21/491934221.db2.gz JPAMBEPCBSCEQO-JYJNAYRXSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612599189 491938003 /nfs/dbraw/zinc/93/80/03/491938003.db2.gz QRGZDZDRQIPJOE-QGZVFWFLSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612603757 491938543 /nfs/dbraw/zinc/93/85/43/491938543.db2.gz LLGLKADVQMRTQU-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@]1(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000612874242 491956586 /nfs/dbraw/zinc/95/65/86/491956586.db2.gz CFXCNAWAODBFIL-GOSISDBHSA-N 2 0 361.494 0.430 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913758 491958649 /nfs/dbraw/zinc/95/86/49/491958649.db2.gz DJVROHGEHVABEQ-LSDHHAIUSA-N 2 0 361.494 0.460 20 0 FCADRP COC[C@]1(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CCCC[NH2+]1 ZINC000602483435 491989217 /nfs/dbraw/zinc/98/92/17/491989217.db2.gz QUMIESMMSNEUOA-HKUYNNGSSA-N 2 0 352.523 0.772 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000602531067 491992262 /nfs/dbraw/zinc/99/22/62/491992262.db2.gz XGTVRAFBUBXYCP-UPJWGTAASA-N 2 0 356.348 0.476 20 0 FCADRP COC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)on1 ZINC000602698522 491995484 /nfs/dbraw/zinc/99/54/84/491995484.db2.gz WHSVFDSQDJGZDZ-UHFFFAOYSA-N 2 0 352.435 0.347 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000597226096 492023557 /nfs/dbraw/zinc/02/35/57/492023557.db2.gz QZZDPMPIOPIMCD-IRXDYDNUSA-N 2 0 365.522 0.855 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604654907 492066607 /nfs/dbraw/zinc/06/66/07/492066607.db2.gz WHHHCKSVALBYIO-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000605902863 492106075 /nfs/dbraw/zinc/10/60/75/492106075.db2.gz VLGVXBRXCCLSKV-LMMKCTJWSA-N 2 0 355.523 0.501 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)c1cc(C(=O)NC(C)(C)C[NH+](C)C)[nH]n1 ZINC000616188385 492120738 /nfs/dbraw/zinc/12/07/38/492120738.db2.gz SMDNAPUYISQFCY-UHFFFAOYSA-N 2 0 352.483 0.550 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000606663123 492126079 /nfs/dbraw/zinc/12/60/79/492126079.db2.gz ADAMUHBFONSRMD-INIZCTEOSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665587 492126121 /nfs/dbraw/zinc/12/61/21/492126121.db2.gz HOKCZPMVXGAOSK-WBVHZDCISA-N 2 0 367.538 0.959 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)CC1 ZINC000607245338 492142356 /nfs/dbraw/zinc/14/23/56/492142356.db2.gz LDZGLVJVDVOZKR-KRWDZBQOSA-N 3 0 368.570 0.290 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691438 492187230 /nfs/dbraw/zinc/18/72/30/492187230.db2.gz SRFDEBODSDIQLB-ZBFHGGJFSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000608708515 492189097 /nfs/dbraw/zinc/18/90/97/492189097.db2.gz MYBZCCYIOHQMFW-KRWDZBQOSA-N 2 0 360.506 0.797 20 0 FCADRP COC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000609571410 492214299 /nfs/dbraw/zinc/21/42/99/492214299.db2.gz VPYDJQVCDXBQKU-UHFFFAOYSA-N 2 0 371.503 0.896 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627428668 492292371 /nfs/dbraw/zinc/29/23/71/492292371.db2.gz LKFCOTDINPSOGP-AGIUHOORSA-N 2 0 364.412 0.573 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000627430350 492292746 /nfs/dbraw/zinc/29/27/46/492292746.db2.gz UPMXRVFKIRCPCC-KRWDZBQOSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000647495031 492298341 /nfs/dbraw/zinc/29/83/41/492298341.db2.gz LECDUXMZNOGOCG-NWDGAFQWSA-N 2 0 354.426 0.947 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)C1 ZINC000647552519 492303847 /nfs/dbraw/zinc/30/38/47/492303847.db2.gz DKDBXUDIPMQRSD-BEFAXECRSA-N 2 0 370.497 0.889 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641810642 492307015 /nfs/dbraw/zinc/30/70/15/492307015.db2.gz CIOUSCRYRQKCRN-GOSISDBHSA-N 2 0 369.554 0.814 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627471203 492310548 /nfs/dbraw/zinc/31/05/48/492310548.db2.gz INHLRLIYBURONJ-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641828234 492311269 /nfs/dbraw/zinc/31/12/69/492311269.db2.gz UNRYFAUQNANADQ-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627472742 492311928 /nfs/dbraw/zinc/31/19/28/492311928.db2.gz XJIINRVVEXKDRF-SJORKVTESA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)n2)CC1 ZINC000620481830 492313762 /nfs/dbraw/zinc/31/37/62/492313762.db2.gz XWWBOSPINZYPHJ-QGZVFWFLSA-N 2 0 373.501 0.505 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)n2)CC1 ZINC000620481829 492314097 /nfs/dbraw/zinc/31/40/97/492314097.db2.gz XWWBOSPINZYPHJ-KRWDZBQOSA-N 2 0 373.501 0.505 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[C@@H]1CC[N@H+](C)C1 ZINC000647568838 492317493 /nfs/dbraw/zinc/31/74/93/492317493.db2.gz UXKDFQJJGZIHPN-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841141 492318150 /nfs/dbraw/zinc/31/81/50/492318150.db2.gz MFDYCGKNOLNEFP-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP CN(Cc1c[nH]cn1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841842 492318712 /nfs/dbraw/zinc/31/87/12/492318712.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 0 350.467 0.348 20 0 FCADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627504761 492325459 /nfs/dbraw/zinc/32/54/59/492325459.db2.gz FKGSOHFPCHWHDM-JQHSSLGASA-N 2 0 358.486 0.976 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000642047375 492329480 /nfs/dbraw/zinc/32/94/80/492329480.db2.gz FDQCXAMANHZRRZ-XIRDDKMYSA-N 2 0 362.474 0.289 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000642076262 492332314 /nfs/dbraw/zinc/33/23/14/492332314.db2.gz SBGBJAPLMLNJIN-YOEHRIQHSA-N 2 0 362.474 0.802 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000642094869 492333771 /nfs/dbraw/zinc/33/37/71/492333771.db2.gz IJNBANWHPZVJLA-FGTMMUONSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000642100552 492335083 /nfs/dbraw/zinc/33/50/83/492335083.db2.gz YJYDAXGKVMAMRF-JQHSSLGASA-N 2 0 374.485 0.514 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642101818 492335175 /nfs/dbraw/zinc/33/51/75/492335175.db2.gz SXIQJDRIOVCLHB-KZNAEPCWSA-N 2 0 356.470 0.588 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@H]1c1ccccc1 ZINC000642195246 492340052 /nfs/dbraw/zinc/34/00/52/492340052.db2.gz SERHJHQDVOYSFS-XLAORIBOSA-N 2 0 356.470 0.616 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194109 492340287 /nfs/dbraw/zinc/34/02/87/492340287.db2.gz WJMOTKSUMBGAAA-TWOQFEAHSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[C@@H]1[NH3+] ZINC000642222674 492342392 /nfs/dbraw/zinc/34/23/92/492342392.db2.gz SYXPNAHJAOIUJN-OAGGEKHMSA-N 2 0 354.495 0.045 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236412 492343114 /nfs/dbraw/zinc/34/31/14/492343114.db2.gz NAVWWXYTGBWMKE-YIOZNXECSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253972 492345416 /nfs/dbraw/zinc/34/54/16/492345416.db2.gz USLSQYKDGBZBTN-AEFFLSMTSA-N 2 0 358.486 0.868 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642253874 492345489 /nfs/dbraw/zinc/34/54/89/492345489.db2.gz ODYHQMFZULPSSK-GBESFXJTSA-N 2 0 370.497 0.693 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000647703066 492346783 /nfs/dbraw/zinc/34/67/83/492346783.db2.gz KYELYULLSQLJRP-LBPRGKRZSA-N 2 0 362.402 0.107 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000642322084 492350046 /nfs/dbraw/zinc/35/00/46/492350046.db2.gz HLUIGYNJDKPIFN-RHSMWYFYSA-N 2 0 362.474 0.329 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000642318732 492350149 /nfs/dbraw/zinc/35/01/49/492350149.db2.gz PRSQMQRCZIBFIU-CRAIPNDOSA-N 2 0 374.485 0.473 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000642332329 492351861 /nfs/dbraw/zinc/35/18/61/492351861.db2.gz CDQOLGPZGVBVTB-ONIAQPFYSA-N 2 0 374.485 0.513 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642330579 492352007 /nfs/dbraw/zinc/35/20/07/492352007.db2.gz XMEWSCHSTRGIKX-NNXHMXCWSA-N 2 0 350.507 0.679 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793348 492362778 /nfs/dbraw/zinc/36/27/78/492362778.db2.gz USBHJARTNUUKBZ-DJIMGWMZSA-N 2 0 367.515 0.777 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640960 492368886 /nfs/dbraw/zinc/36/88/86/492368886.db2.gz SGZCAMBSGSIKRG-FGTMMUONSA-N 2 0 358.486 0.739 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640886 492369144 /nfs/dbraw/zinc/36/91/44/492369144.db2.gz ISOVKRBOMSCCRY-NCXUSEDFSA-N 2 0 370.497 0.963 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640885 492369462 /nfs/dbraw/zinc/36/94/62/492369462.db2.gz ISOVKRBOMSCCRY-AKHDSKFASA-N 2 0 370.497 0.963 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642680342 492372794 /nfs/dbraw/zinc/37/27/94/492372794.db2.gz ZECHYOSGVAICCN-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000654901157 492373343 /nfs/dbraw/zinc/37/33/43/492373343.db2.gz HCERLVSUZSCXNL-UHFFFAOYSA-N 2 0 364.494 0.716 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699642 492375780 /nfs/dbraw/zinc/37/57/80/492375780.db2.gz DMQXSWORQAGIPB-YJBOKZPZSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000654945763 492382448 /nfs/dbraw/zinc/38/24/48/492382448.db2.gz DRDVNGVPEHBARI-CVEARBPZSA-N 2 0 362.478 0.516 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000654947964 492384109 /nfs/dbraw/zinc/38/41/09/492384109.db2.gz XDHIXLRJUIBUCS-HUUCEWRRSA-N 2 0 362.478 0.516 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000642750490 492385269 /nfs/dbraw/zinc/38/52/69/492385269.db2.gz FODMATWKRAWVJN-PMPSAXMXSA-N 2 0 354.495 0.332 20 0 FCADRP COc1ccc(CC(=O)NCC[NH+](C)C)c(C(=O)NCC[NH+](C)C)c1 ZINC000635069471 492386141 /nfs/dbraw/zinc/38/61/41/492386141.db2.gz PZSUQGZBFSUJBF-UHFFFAOYSA-N 2 0 350.463 0.207 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642756708 492386581 /nfs/dbraw/zinc/38/65/81/492386581.db2.gz ZJGGVIZHSWINGA-CGTJXYLNSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642759556 492387137 /nfs/dbraw/zinc/38/71/37/492387137.db2.gz PYQHUJWZPDXYQT-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000647967712 492388922 /nfs/dbraw/zinc/38/89/22/492388922.db2.gz XACDSZGUJKXGTB-QYZOEREBSA-N 2 0 358.571 0.395 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975582 492389675 /nfs/dbraw/zinc/38/96/75/492389675.db2.gz CEBPFFZVDNMOCR-VQHPVUNQSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978726 492390429 /nfs/dbraw/zinc/39/04/29/492390429.db2.gz XIFNJKOSJCWTFE-MSOLQXFVSA-N 2 0 372.517 0.837 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978171 492390494 /nfs/dbraw/zinc/39/04/94/492390494.db2.gz NQYCQOSLOQNJMU-LSDHHAIUSA-N 2 0 374.489 0.145 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC000642789439 492392602 /nfs/dbraw/zinc/39/26/02/492392602.db2.gz GTFKXQORNHMPFD-JKSUJKDBSA-N 2 0 350.507 0.955 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642806200 492395990 /nfs/dbraw/zinc/39/59/90/492395990.db2.gz LLNJFHUKWULWDW-MRXNPFEDSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000642808936 492396722 /nfs/dbraw/zinc/39/67/22/492396722.db2.gz KKLXLNSGXNBRHR-RDJZCZTQSA-N 2 0 364.465 0.960 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)C1 ZINC000642889229 492397566 /nfs/dbraw/zinc/39/75/66/492397566.db2.gz DDOURNSGZDWVSF-INIZCTEOSA-N 2 0 365.522 0.003 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902038 492399245 /nfs/dbraw/zinc/39/92/45/492399245.db2.gz ITLLSGYAAUBDFL-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902132 492399390 /nfs/dbraw/zinc/39/93/90/492399390.db2.gz KZJHWCGHWSGCIE-MRXNPFEDSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905408 492400436 /nfs/dbraw/zinc/40/04/36/492400436.db2.gz LXMDVXZLVWKWRT-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642918060 492403237 /nfs/dbraw/zinc/40/32/37/492403237.db2.gz LNGLGPBTBDHHOB-MRXNPFEDSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919762 492403687 /nfs/dbraw/zinc/40/36/87/492403687.db2.gz FXNDISZUGPBDJV-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000648143671 492407246 /nfs/dbraw/zinc/40/72/46/492407246.db2.gz XONRHLWSIUXJGI-HUUCEWRRSA-N 2 0 357.520 0.391 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982003 492410447 /nfs/dbraw/zinc/41/04/47/492410447.db2.gz NKBKWTWQFBSIOA-CQSZACIVSA-N 2 0 352.504 0.897 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[C@H]1c1ccc(F)cc1 ZINC000648178988 492413158 /nfs/dbraw/zinc/41/31/58/492413158.db2.gz HTFHYHDKMPDACO-OWCLPIDISA-N 2 0 358.421 0.909 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643007700 492413275 /nfs/dbraw/zinc/41/32/75/492413275.db2.gz XSLLWAZJXNNZGS-RCCFBDPRSA-N 2 0 358.486 0.963 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)[NH+](C)C)c1 ZINC000621837866 492421688 /nfs/dbraw/zinc/42/16/88/492421688.db2.gz SATHQXASWCMNQM-SYNHAJSKSA-N 2 0 374.485 0.754 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000621839503 492422176 /nfs/dbraw/zinc/42/21/76/492422176.db2.gz UHTUNBNNRMMVBM-MDYRTPRTSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839151 492422240 /nfs/dbraw/zinc/42/22/40/492422240.db2.gz OMYRUIIECNBOPH-DNVCBOLYSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621846059 492426062 /nfs/dbraw/zinc/42/60/62/492426062.db2.gz VHRFYZNYHRDTGR-PXNSSMCTSA-N 2 0 358.486 0.747 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655414472 492441929 /nfs/dbraw/zinc/44/19/29/492441929.db2.gz QTQRZECOCXLTEU-GOEBONIOSA-N 2 0 352.460 0.252 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028275 492443419 /nfs/dbraw/zinc/44/34/19/492443419.db2.gz OUUMWVWMIIBMTI-MAUKXSAKSA-N 2 0 354.495 0.143 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655447841 492444166 /nfs/dbraw/zinc/44/41/66/492444166.db2.gz HBMZGKGGQPTARZ-XLIONFOSSA-N 2 0 358.486 0.984 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622029810 492444226 /nfs/dbraw/zinc/44/42/26/492444226.db2.gz LSMQMWQJNQVVOF-FRQCXROJSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512571 492463118 /nfs/dbraw/zinc/46/31/18/492463118.db2.gz OAHIQUKEALONEW-MSOLQXFVSA-N 2 0 350.507 0.478 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643453487 492466507 /nfs/dbraw/zinc/46/65/07/492466507.db2.gz HCQVIMGKBOTXMA-GVDBMIGSSA-N 2 0 358.552 0.464 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000643478800 492475198 /nfs/dbraw/zinc/47/51/98/492475198.db2.gz GROLVCGIVMUFNL-QGZVFWFLSA-N 2 0 371.485 0.578 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483265 492476817 /nfs/dbraw/zinc/47/68/17/492476817.db2.gz CXXJOWUYWKCBKF-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483267 492476872 /nfs/dbraw/zinc/47/68/72/492476872.db2.gz CXXJOWUYWKCBKF-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643480994 492477181 /nfs/dbraw/zinc/47/71/81/492477181.db2.gz SSUMXBKHEROUOF-MOPGFXCFSA-N 2 0 370.497 0.789 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643486897 492478878 /nfs/dbraw/zinc/47/88/78/492478878.db2.gz AELBNIBDPLTNEE-GDBMZVCRSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643486899 492479178 /nfs/dbraw/zinc/47/91/78/492479178.db2.gz AELBNIBDPLTNEE-HOCLYGCPSA-N 2 0 354.495 0.141 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643489775 492479686 /nfs/dbraw/zinc/47/96/86/492479686.db2.gz LDEYEXAXCFJALZ-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643490259 492479818 /nfs/dbraw/zinc/47/98/18/492479818.db2.gz IYZQEXLHRCDJDN-CVEARBPZSA-N 2 0 356.511 0.387 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[NH2+]1 ZINC000643494620 492481868 /nfs/dbraw/zinc/48/18/68/492481868.db2.gz OIYDYTFSDTYHBN-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000643500337 492482911 /nfs/dbraw/zinc/48/29/11/492482911.db2.gz FUAGZHXXKFQQBM-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000643503515 492483841 /nfs/dbraw/zinc/48/38/41/492483841.db2.gz LNUYVVJIFPJITO-HOCLYGCPSA-N 2 0 352.479 0.038 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000643504144 492483970 /nfs/dbraw/zinc/48/39/70/492483970.db2.gz FTXNCJLXODNBOC-KSZLIROESA-N 2 0 362.518 0.921 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000643531880 492492391 /nfs/dbraw/zinc/49/23/91/492492391.db2.gz RFVJRLFMBOEXJA-PXNSSMCTSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643540882 492494467 /nfs/dbraw/zinc/49/44/67/492494467.db2.gz DLAFQIXSERNFFU-YTQUADARSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@H]1CC[NH+](CCNC(=O)CC(O)CC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000649084392 492497132 /nfs/dbraw/zinc/49/71/32/492497132.db2.gz YKDPSCATRBPEDF-HOTGVXAUSA-N 2 0 368.522 0.044 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549858 492497694 /nfs/dbraw/zinc/49/76/94/492497694.db2.gz WRWRUWNUNHJHQV-CWLKWCNXSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)CC[C@H]21 ZINC000643549855 492497779 /nfs/dbraw/zinc/49/77/79/492497779.db2.gz WRMWEFGEZVWMRT-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643553570 492499046 /nfs/dbraw/zinc/49/90/46/492499046.db2.gz INEIDUQQYOZYNY-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022773 492520663 /nfs/dbraw/zinc/52/06/63/492520663.db2.gz LVOQNTMOKWNGEL-GBJTYRQASA-N 2 0 352.479 0.349 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C(C)(C)C[NH+]3CCOCC3)CC2)C1=O ZINC000635925496 492528787 /nfs/dbraw/zinc/52/87/87/492528787.db2.gz ALESIKMMJCQOBJ-MRXNPFEDSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000635929064 492530130 /nfs/dbraw/zinc/53/01/30/492530130.db2.gz FDEAYPVPUQWQBQ-CQSZACIVSA-N 2 0 360.458 0.623 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649328356 492535385 /nfs/dbraw/zinc/53/53/85/492535385.db2.gz RFCOHPOGPNRJQV-KURKYZTESA-N 2 0 356.470 0.879 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000636023634 492541476 /nfs/dbraw/zinc/54/14/76/492541476.db2.gz PMHWUZVLCJCKEY-GOSISDBHSA-N 2 0 364.534 0.916 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)c2ccccc2O1 ZINC000649347462 492542789 /nfs/dbraw/zinc/54/27/89/492542789.db2.gz YOAICBFHWWKNNQ-HUUCEWRRSA-N 2 0 360.458 0.682 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649350473 492543524 /nfs/dbraw/zinc/54/35/24/492543524.db2.gz FUBHRHWMOYYFBC-LJQANCHMSA-N 2 0 360.502 0.676 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649350472 492544026 /nfs/dbraw/zinc/54/40/26/492544026.db2.gz FUBHRHWMOYYFBC-IBGZPJMESA-N 2 0 360.502 0.676 20 0 FCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000649352131 492545731 /nfs/dbraw/zinc/54/57/31/492545731.db2.gz UIWNFYFAGYHXLP-XSYGEPLQSA-N 2 0 369.513 0.908 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000656256655 492566876 /nfs/dbraw/zinc/56/68/76/492566876.db2.gz ZFVPQXMOMVZSAP-KRWDZBQOSA-N 2 0 364.494 0.226 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000656300628 492577203 /nfs/dbraw/zinc/57/72/03/492577203.db2.gz BAADOGQADBUYLB-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000656308165 492582170 /nfs/dbraw/zinc/58/21/70/492582170.db2.gz YNGQIGUAEZGKKD-UAGQMJEPSA-N 2 0 350.507 0.966 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000656319885 492591037 /nfs/dbraw/zinc/59/10/37/492591037.db2.gz DZOZHFBALDDYTC-UHFFFAOYSA-N 2 0 356.511 0.404 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656353974 492609108 /nfs/dbraw/zinc/60/91/08/492609108.db2.gz ADUFPUJHPWUVBU-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000624033863 492614374 /nfs/dbraw/zinc/61/43/74/492614374.db2.gz XBAYLASHBPSANW-GOSISDBHSA-N 2 0 373.501 0.526 20 0 FCADRP C[C@H]1C[NH+](CCOc2ccc(CCNc3nc(N)[nH+]c(N)n3)cc2)C[C@@H]1C ZINC000624085385 492619324 /nfs/dbraw/zinc/61/93/24/492619324.db2.gz QXYFCSSZFRYBBB-KBPBESRZSA-N 2 0 371.489 0.740 20 0 FCADRP C[NH+]1CCN(Cc2cn(Cc3nc(C4([NH3+])CCCCCC4)no3)nn2)CC1 ZINC000656439854 492621759 /nfs/dbraw/zinc/62/17/59/492621759.db2.gz FEAKAUNIRDHEDM-UHFFFAOYSA-N 2 0 374.493 0.965 20 0 FCADRP CC[NH2+]Cc1ccn(Cc2cn(C[C@@H]3C[N@H+](CC(C)C)CCO3)nn2)n1 ZINC000656448154 492622984 /nfs/dbraw/zinc/62/29/84/492622984.db2.gz GXZNLMYILXTZHS-SFHVURJKSA-N 2 0 361.494 0.989 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636636428 492644859 /nfs/dbraw/zinc/64/48/59/492644859.db2.gz RBBXZGUPIXBGFQ-VQHPVUNQSA-N 2 0 367.538 0.992 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)CCOCC[NH3+])CC1 ZINC000629578159 492654807 /nfs/dbraw/zinc/65/48/07/492654807.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 2 0 362.518 0.936 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000629792667 492673519 /nfs/dbraw/zinc/67/35/19/492673519.db2.gz XGUMHYVCLOYZCT-UHFFFAOYSA-N 2 0 368.522 0.535 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629801992 492679863 /nfs/dbraw/zinc/67/98/63/492679863.db2.gz QKRRZGZRWUHIKE-QWHCGFSZSA-N 2 0 366.428 0.771 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753862 492682292 /nfs/dbraw/zinc/68/22/92/492682292.db2.gz ZTYCZFCCQCXYMJ-MOPGFXCFSA-N 2 0 360.502 0.917 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)NC3CC[NH+](CCO)CC3)cn2)CC1 ZINC000636761776 492684874 /nfs/dbraw/zinc/68/48/74/492684874.db2.gz LAFKFQOETNDDBJ-UHFFFAOYSA-N 2 0 350.467 0.728 20 0 FCADRP Cn1nc(C(F)(F)F)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000624957049 492702886 /nfs/dbraw/zinc/70/28/86/492702886.db2.gz XFRQZQCWIPGYSZ-UHFFFAOYSA-N 2 0 371.429 0.553 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000644363177 492725147 /nfs/dbraw/zinc/72/51/47/492725147.db2.gz DLGUCSSQHXDACU-OAGGEKHMSA-N 2 0 350.467 0.554 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636960854 492738130 /nfs/dbraw/zinc/73/81/30/492738130.db2.gz NLSBLPDEHPVIKE-YJBOKZPZSA-N 2 0 361.490 0.973 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000637036511 492755734 /nfs/dbraw/zinc/75/57/34/492755734.db2.gz LCHQRXWFYMUMLG-ZWKOTPCHSA-N 2 0 362.474 0.119 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644446524 492757003 /nfs/dbraw/zinc/75/70/03/492757003.db2.gz COUZMJAZEIGEAT-KURKYZTESA-N 2 0 367.538 0.299 20 0 FCADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631076950 492797450 /nfs/dbraw/zinc/79/74/50/492797450.db2.gz AWUVEOAJWSQWJR-UHFFFAOYSA-N 2 0 363.502 0.944 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657870161 492806902 /nfs/dbraw/zinc/80/69/02/492806902.db2.gz FNVPGVSCWGBOGO-UHFFFAOYSA-N 2 0 359.474 0.719 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874203 492807546 /nfs/dbraw/zinc/80/75/46/492807546.db2.gz QVQVRUJKGPUMBF-UHFFFAOYSA-N 2 0 359.474 0.530 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373160 492813205 /nfs/dbraw/zinc/81/32/05/492813205.db2.gz NHHUBFXJHLTQDA-YJBOKZPZSA-N 2 0 351.495 0.454 20 0 FCADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373475 492813420 /nfs/dbraw/zinc/81/34/20/492813420.db2.gz QCQWUEJKMVYKEZ-JYJNAYRXSA-N 2 0 351.495 0.594 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000631679771 492834514 /nfs/dbraw/zinc/83/45/14/492834514.db2.gz XVGBYCLJSJWGFR-UHFFFAOYSA-N 2 0 367.519 0.171 20 0 FCADRP CN(CCN(C)S(=O)(=O)CCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000631773788 492850037 /nfs/dbraw/zinc/85/00/37/492850037.db2.gz SAJCYOMFUUOGFI-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830216 492858615 /nfs/dbraw/zinc/85/86/15/492858615.db2.gz MMHNHONSLNUFTE-HUUCEWRRSA-N 2 0 356.478 0.778 20 0 FCADRP O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000631868197 492866661 /nfs/dbraw/zinc/86/66/61/492866661.db2.gz ZZBWEYDEWDUUHB-XLIONFOSSA-N 2 0 364.534 0.869 20 0 FCADRP COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631901307 492873585 /nfs/dbraw/zinc/87/35/85/492873585.db2.gz YJHQMJDNOFFTJS-INIZCTEOSA-N 2 0 370.519 0.252 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000631918002 492883655 /nfs/dbraw/zinc/88/36/55/492883655.db2.gz ZQXBMLWLDIYEDX-UHFFFAOYSA-N 2 0 370.519 0.645 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652130906 492884639 /nfs/dbraw/zinc/88/46/39/492884639.db2.gz FHKZAIAXNVVLOC-YESZJQIVSA-N 2 0 356.511 0.883 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652130903 492885068 /nfs/dbraw/zinc/88/50/68/492885068.db2.gz FHKZAIAXNVVLOC-BBWFWOEESA-N 2 0 356.511 0.883 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631925144 492886988 /nfs/dbraw/zinc/88/69/88/492886988.db2.gz NUDHTTPDEDJDRK-MRXNPFEDSA-N 2 0 362.540 0.348 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278349 492888153 /nfs/dbraw/zinc/88/81/53/492888153.db2.gz DTDCHMZIVBDKGW-INIZCTEOSA-N 2 0 354.495 0.603 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652154390 492888510 /nfs/dbraw/zinc/88/85/10/492888510.db2.gz DKKREGWUHDECPI-QAETUUGQSA-N 2 0 354.495 0.635 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000631928157 492889469 /nfs/dbraw/zinc/88/94/69/492889469.db2.gz ROIUNSKSPGSYOH-YOEHRIQHSA-N 2 0 356.536 0.864 20 0 FCADRP CCCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645305422 492890401 /nfs/dbraw/zinc/89/04/01/492890401.db2.gz RMDIQUGTMFBNCW-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000631943528 492894058 /nfs/dbraw/zinc/89/40/58/492894058.db2.gz YQTPHEVJAGPIRQ-IAGOWNOFSA-N 2 0 358.552 0.560 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000631945276 492895048 /nfs/dbraw/zinc/89/50/48/492895048.db2.gz UNOXGYLBNLQAKK-INIZCTEOSA-N 2 0 352.504 0.344 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC000652218235 492895357 /nfs/dbraw/zinc/89/53/57/492895357.db2.gz CJYUZZHFJUWDHE-GUTXKFCHSA-N 2 0 363.428 0.593 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652218695 492895959 /nfs/dbraw/zinc/89/59/59/492895959.db2.gz WWQAPDXXPVEWKA-CQSZACIVSA-N 2 0 365.444 0.950 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645393344 492902267 /nfs/dbraw/zinc/90/22/67/492902267.db2.gz QDPVMFYGGCQLFS-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000638097991 492904277 /nfs/dbraw/zinc/90/42/77/492904277.db2.gz YRKFCTVVRFXKJH-SJORKVTESA-N 2 0 362.474 0.754 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116188 492909526 /nfs/dbraw/zinc/90/95/26/492909526.db2.gz HRBHIXKZDUNYMX-VQIMIIECSA-N 2 0 360.502 0.850 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645472881 492911777 /nfs/dbraw/zinc/91/17/77/492911777.db2.gz PZUPFHPUKMDYLM-SFHVURJKSA-N 2 0 358.486 0.898 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000632022390 492912874 /nfs/dbraw/zinc/91/28/74/492912874.db2.gz IQILLGUFWMWQLO-QGZVFWFLSA-N 2 0 355.504 0.495 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652347677 492913283 /nfs/dbraw/zinc/91/32/83/492913283.db2.gz JHGMVRDZTNKOSJ-OWLYRPNTSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000632035905 492914936 /nfs/dbraw/zinc/91/49/36/492914936.db2.gz DYDQZFFALXDCKI-SFHVURJKSA-N 2 0 372.579 0.762 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137402 492915650 /nfs/dbraw/zinc/91/56/50/492915650.db2.gz UPRPLFVHWAMVOI-UHFFFAOYSA-N 2 0 359.518 0.346 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632036721 492916426 /nfs/dbraw/zinc/91/64/26/492916426.db2.gz AMBBICRMDPFXBU-QGZVFWFLSA-N 2 0 360.568 0.760 20 0 FCADRP CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000645517363 492919438 /nfs/dbraw/zinc/91/94/38/492919438.db2.gz MANYGYXMIUJWLT-INIZCTEOSA-N 2 0 365.540 0.183 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@H+]1C ZINC000652427071 492928904 /nfs/dbraw/zinc/92/89/04/492928904.db2.gz VSSMVYKPIICIFB-IXDOHACOSA-N 2 0 353.511 0.127 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000632122236 492934254 /nfs/dbraw/zinc/93/42/54/492934254.db2.gz PILWGIVSDMVMRW-DLBZAZTESA-N 2 0 358.552 0.370 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000638343424 492937928 /nfs/dbraw/zinc/93/79/28/492937928.db2.gz SRCWIMCVMMQLLM-KRWDZBQOSA-N 2 0 354.458 0.789 20 0 FCADRP Cn1ccnc1[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632145817 492938711 /nfs/dbraw/zinc/93/87/11/492938711.db2.gz PTWNBWZFGOPQDX-OAHLLOKOSA-N 2 0 355.508 0.177 20 0 FCADRP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000632160824 492940840 /nfs/dbraw/zinc/94/08/40/492940840.db2.gz LEQLKBPHDPKQGX-ZWKOTPCHSA-N 2 0 372.579 0.760 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638553358 492960175 /nfs/dbraw/zinc/96/01/75/492960175.db2.gz BAURTWPQFMUFCW-HNNXBMFYSA-N 2 0 354.520 0.697 20 0 FCADRP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000652622377 492972071 /nfs/dbraw/zinc/97/20/71/492972071.db2.gz IKVJCJHXLIVDSK-UHFFFAOYSA-N 2 0 350.467 0.374 20 0 FCADRP C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[C@H]1CCC[NH2+]C1 ZINC000638856798 492982119 /nfs/dbraw/zinc/98/21/19/492982119.db2.gz UAEVVWZBOXHDMH-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652666379 492982491 /nfs/dbraw/zinc/98/24/91/492982491.db2.gz FTPINWPJLFTQDS-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000638856797 492982928 /nfs/dbraw/zinc/98/29/28/492982928.db2.gz UAEVVWZBOXHDMH-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000632371090 492985930 /nfs/dbraw/zinc/98/59/30/492985930.db2.gz UNSDBKCNVALAIY-QGZVFWFLSA-N 2 0 358.552 0.371 20 0 FCADRP CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000638983245 492990744 /nfs/dbraw/zinc/99/07/44/492990744.db2.gz FBBRRJGENINTFH-ZDUSSCGKSA-N 2 0 367.475 0.101 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652692177 492992134 /nfs/dbraw/zinc/99/21/34/492992134.db2.gz LDNAZTLMDFMTDH-XHSDSOJGSA-N 2 0 354.495 0.189 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652708518 492996660 /nfs/dbraw/zinc/99/66/60/492996660.db2.gz VUPDZQIOJUMASD-QGZVFWFLSA-N 2 0 368.522 0.724 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652728834 493006687 /nfs/dbraw/zinc/00/66/87/493006687.db2.gz CNMFAEVLPBYYHN-NXOAAHMSSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCO2 ZINC000646104433 493012802 /nfs/dbraw/zinc/01/28/02/493012802.db2.gz DAOUVZDGSNTXLH-UHFFFAOYSA-N 2 0 360.458 0.911 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000658706908 493018925 /nfs/dbraw/zinc/01/89/25/493018925.db2.gz IQIJQTYAJQEWMB-HNNXBMFYSA-N 2 0 364.494 0.620 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)N[C@H](CO)C[NH+](C)C)c1-c1ccccc1 ZINC000646209282 493027293 /nfs/dbraw/zinc/02/72/93/493027293.db2.gz DJGLJLUJYWQHAM-INIZCTEOSA-N 2 0 359.474 0.764 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000646214254 493028786 /nfs/dbraw/zinc/02/87/86/493028786.db2.gz PVUSLPAGGKLEKX-UXLLHSPISA-N 2 0 363.506 0.701 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632561900 493029532 /nfs/dbraw/zinc/02/95/32/493029532.db2.gz ZYSIAEHJJKEXMP-QGZVFWFLSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683489 493031163 /nfs/dbraw/zinc/03/11/63/493031163.db2.gz ZYLDYYXHINHVSB-HOTGVXAUSA-N 2 0 359.474 0.706 20 0 FCADRP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000639683211 493031195 /nfs/dbraw/zinc/03/11/95/493031195.db2.gz SANXICBLQDEWKT-UHFFFAOYSA-N 2 0 371.485 0.675 20 0 FCADRP COC[C@]1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000646432994 493048376 /nfs/dbraw/zinc/04/83/76/493048376.db2.gz AHKNCUMRNSBOGM-IBGZPJMESA-N 2 0 362.474 0.220 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646428265 493048521 /nfs/dbraw/zinc/04/85/21/493048521.db2.gz MBXKBDDYRGOQLW-CABCVRRESA-N 2 0 350.467 0.213 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000626923640 493063724 /nfs/dbraw/zinc/06/37/24/493063724.db2.gz YDXVSCZDFIULAD-AEFFLSMTSA-N 2 0 369.473 0.886 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626947983 493069072 /nfs/dbraw/zinc/06/90/72/493069072.db2.gz LKPXBSKBHSEPAA-QSJFSLAZSA-N 2 0 363.510 0.978 20 0 FCADRP CCN(CC[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000626971285 493072275 /nfs/dbraw/zinc/07/22/75/493072275.db2.gz CYGBUJRAINTLJN-QGZVFWFLSA-N 2 0 361.490 0.874 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000627066792 493085261 /nfs/dbraw/zinc/08/52/61/493085261.db2.gz RKUNFLJKBMWXLU-UHFFFAOYSA-N 2 0 353.511 0.178 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000653260061 493087523 /nfs/dbraw/zinc/08/75/23/493087523.db2.gz BWGSCSYUPFWOJT-FPCVCCKLSA-N 2 0 352.479 0.132 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653260799 493087540 /nfs/dbraw/zinc/08/75/40/493087540.db2.gz LGPRJRXKBVZYCK-KZNAEPCWSA-N 2 0 352.523 0.901 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000627103332 493088437 /nfs/dbraw/zinc/08/84/37/493088437.db2.gz PNCGLGSKMWRTJP-MRXNPFEDSA-N 2 0 354.495 0.651 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000633026583 493105406 /nfs/dbraw/zinc/10/54/06/493105406.db2.gz GXSSVYHKIUGGOM-GJZGRUSLSA-N 2 0 359.430 0.088 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000627233594 493113607 /nfs/dbraw/zinc/11/36/07/493113607.db2.gz BSWUOAHRAAADQI-RDJZCZTQSA-N 2 0 361.494 0.734 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259006 493120756 /nfs/dbraw/zinc/12/07/56/493120756.db2.gz KOARIVQYBNKJFM-ZWKOTPCHSA-N 2 0 373.501 0.261 20 0 FCADRP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000633089405 493120900 /nfs/dbraw/zinc/12/09/00/493120900.db2.gz DVIOXYHTYRQTCO-QZTJIDSGSA-N 2 0 367.538 0.375 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633097810 493124093 /nfs/dbraw/zinc/12/40/93/493124093.db2.gz TVJYVKIUPJFLCL-FGTMMUONSA-N 2 0 356.470 0.682 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000640751062 493128193 /nfs/dbraw/zinc/12/81/93/493128193.db2.gz RFRHYVNVENWDSA-LBPRGKRZSA-N 2 0 356.496 1.347 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633150499 493136642 /nfs/dbraw/zinc/13/66/42/493136642.db2.gz YTQFPXRSLYRYPV-NVXWUHKLSA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000627292307 493136765 /nfs/dbraw/zinc/13/67/65/493136765.db2.gz REZYIUGCKFMLLC-QZTJIDSGSA-N 2 0 360.502 0.732 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633149380 493136875 /nfs/dbraw/zinc/13/68/75/493136875.db2.gz XFWDPQMGMAWWQK-BPQIPLTHSA-N 2 0 358.486 0.915 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C)C1 ZINC000646988964 493141594 /nfs/dbraw/zinc/14/15/94/493141594.db2.gz YNFGTIHPEDYTRX-PBHICJAKSA-N 2 0 356.536 0.483 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312229 493146926 /nfs/dbraw/zinc/14/69/26/493146926.db2.gz TVYVPSASFXOCTF-RDJZCZTQSA-N 2 0 362.474 0.372 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311960 493147049 /nfs/dbraw/zinc/14/70/49/493147049.db2.gz LOZHBSMYMYZSGR-STNJDDFNSA-N 2 0 364.534 0.927 20 0 FCADRP CCCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647040892 493151687 /nfs/dbraw/zinc/15/16/87/493151687.db2.gz AOTKDDJVNUSWJZ-MRXNPFEDSA-N 2 0 367.538 0.071 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000627331990 493157110 /nfs/dbraw/zinc/15/71/10/493157110.db2.gz NVOSBHLCTCYSRU-MSOLQXFVSA-N 2 0 374.485 0.353 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334764 493158847 /nfs/dbraw/zinc/15/88/47/493158847.db2.gz ZWHLVIDOFRSUSO-INIZCTEOSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091755 493161344 /nfs/dbraw/zinc/16/13/44/493161344.db2.gz HKOIBAAYYZEUQQ-BZSNNMDCSA-N 2 0 371.485 0.303 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091757 493161443 /nfs/dbraw/zinc/16/14/43/493161443.db2.gz HKOIBAAYYZEUQQ-OKZBNKHCSA-N 2 0 371.485 0.303 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091848 493162116 /nfs/dbraw/zinc/16/21/16/493162116.db2.gz QQNSUKSMLCEBGU-KZNAEPCWSA-N 2 0 371.485 0.823 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627356583 493173386 /nfs/dbraw/zinc/17/33/86/493173386.db2.gz KOFSYVZYSLGALZ-SZMVWBNQSA-N 2 0 374.485 0.118 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000627358610 493176518 /nfs/dbraw/zinc/17/65/18/493176518.db2.gz NYUOGNTWIAPQNY-IAGOWNOFSA-N 2 0 360.458 0.044 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)Cc2ccccc2C1 ZINC000659460550 493185232 /nfs/dbraw/zinc/18/52/32/493185232.db2.gz YEUAJNLLJBYCED-UHFFFAOYSA-N 2 0 370.457 0.539 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627380015 493189565 /nfs/dbraw/zinc/18/95/65/493189565.db2.gz FMJKYAMXWGBDNU-GOEBONIOSA-N 2 0 362.474 0.337 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000659318439 493190243 /nfs/dbraw/zinc/19/02/43/493190243.db2.gz CIAAEKAWJNUVMQ-YZLZLFLDSA-N 2 0 362.518 0.609 20 0 FCADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000666670367 493212979 /nfs/dbraw/zinc/21/29/79/493212979.db2.gz ODTBXWGNWJYZJA-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000659578012 493215831 /nfs/dbraw/zinc/21/58/31/493215831.db2.gz QCSHVCDUYREWRR-HUUCEWRRSA-N 2 0 351.495 0.548 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000659581675 493216140 /nfs/dbraw/zinc/21/61/40/493216140.db2.gz RBOPWSXULUOPAN-MZMPZRCHSA-N 2 0 368.428 0.776 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000659617856 493220733 /nfs/dbraw/zinc/22/07/33/493220733.db2.gz WGAYGCVPKRTNFA-NRGCRIOASA-N 2 0 358.486 0.921 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659611980 493221141 /nfs/dbraw/zinc/22/11/41/493221141.db2.gz UVMIHAGXESCJQO-IXDOHACOSA-N 2 0 365.522 0.761 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000666796330 493228145 /nfs/dbraw/zinc/22/81/45/493228145.db2.gz WSKUJJXBTNBDLF-KRWDZBQOSA-N 2 0 373.501 0.583 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000672700072 493236291 /nfs/dbraw/zinc/23/62/91/493236291.db2.gz YMYHOKLWABXOTK-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CN(C)CCO1 ZINC000672722985 493240072 /nfs/dbraw/zinc/24/00/72/493240072.db2.gz MSRQMBYXZFDGQV-ZNMIVQPWSA-N 2 0 356.511 0.304 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CN(C)CCO1 ZINC000672722983 493240080 /nfs/dbraw/zinc/24/00/80/493240080.db2.gz MSRQMBYXZFDGQV-RRFJBIMHSA-N 2 0 356.511 0.304 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000666974430 493243371 /nfs/dbraw/zinc/24/33/71/493243371.db2.gz QCCVIIULIUYRFT-FUHWJXTLSA-N 2 0 366.506 0.603 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000659673283 493243976 /nfs/dbraw/zinc/24/39/76/493243976.db2.gz ISLBKWVIPVHGEE-ZBFHGGJFSA-N 2 0 362.474 0.672 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000666977701 493244092 /nfs/dbraw/zinc/24/40/92/493244092.db2.gz HGIFAZBBRWAGBJ-IAGOWNOFSA-N 2 0 354.495 0.386 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000659678000 493246973 /nfs/dbraw/zinc/24/69/73/493246973.db2.gz JOVCUFFRDTXCCJ-HNNXBMFYSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000659694344 493257546 /nfs/dbraw/zinc/25/75/46/493257546.db2.gz OBAVLWLHLXINSL-UIBIWLFHSA-N 2 0 360.502 0.983 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCC1 ZINC000659695323 493257647 /nfs/dbraw/zinc/25/76/47/493257647.db2.gz YMXYNAFXLKNDSW-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000659695203 493257980 /nfs/dbraw/zinc/25/79/80/493257980.db2.gz SMXBKZVFKXECKQ-UHFFFAOYSA-N 2 0 359.474 0.550 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000659703504 493263491 /nfs/dbraw/zinc/26/34/91/493263491.db2.gz BKPQBJWXJBKBDN-UHFFFAOYSA-N 2 0 364.490 0.481 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709419 493265970 /nfs/dbraw/zinc/26/59/70/493265970.db2.gz ILMMBXIUKQVLSE-SFHVURJKSA-N 2 0 358.486 0.630 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659710570 493267029 /nfs/dbraw/zinc/26/70/29/493267029.db2.gz RCFHOYLAWGXYTP-KZNAEPCWSA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[NH2+]C3CC3)c2)CC1 ZINC000667294250 493273452 /nfs/dbraw/zinc/27/34/52/493273452.db2.gz BFUMCMKYIHTFHZ-UHFFFAOYSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659735875 493278833 /nfs/dbraw/zinc/27/88/33/493278833.db2.gz KIWPKNLHLOMDJF-OAGGEKHMSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659738027 493279995 /nfs/dbraw/zinc/27/99/95/493279995.db2.gz YARHFAGVVKMMAY-DZKIICNBSA-N 2 0 352.479 0.084 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659739708 493280489 /nfs/dbraw/zinc/28/04/89/493280489.db2.gz YJRFNZGEHAIZEM-SFHVURJKSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000673026128 493281808 /nfs/dbraw/zinc/28/18/08/493281808.db2.gz SGDOGRVCZMJBFJ-QGZVFWFLSA-N 2 0 374.529 0.860 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659751656 493285941 /nfs/dbraw/zinc/28/59/41/493285941.db2.gz IGRPNKWNGPATQV-HNNXBMFYSA-N 2 0 361.490 0.271 20 0 FCADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659757365 493286882 /nfs/dbraw/zinc/28/68/82/493286882.db2.gz XITIMEADGLWZNB-OAHLLOKOSA-N 2 0 361.490 0.871 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000659756527 493286928 /nfs/dbraw/zinc/28/69/28/493286928.db2.gz RHYCEWBXGDCMBJ-UHFFFAOYSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659756538 493286984 /nfs/dbraw/zinc/28/69/84/493286984.db2.gz RQCIYWQCGXEBPE-QGZVFWFLSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH3+] ZINC000659756013 493287170 /nfs/dbraw/zinc/28/71/70/493287170.db2.gz OYYDGDRSLHILIU-RHSMWYFYSA-N 2 0 350.507 0.668 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000667557849 493289706 /nfs/dbraw/zinc/28/97/06/493289706.db2.gz KQVDEMVXIRPSDD-CQSZACIVSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000667557848 493289744 /nfs/dbraw/zinc/28/97/44/493289744.db2.gz KQVDEMVXIRPSDD-AWEZNQCLSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673147334 493296123 /nfs/dbraw/zinc/29/61/23/493296123.db2.gz ZAUAAOCDPOOOEI-GDBMZVCRSA-N 2 0 362.478 0.468 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000667819677 493304034 /nfs/dbraw/zinc/30/40/34/493304034.db2.gz WSHRJTTXSFXZBI-UHFFFAOYSA-N 2 0 368.445 0.635 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673427940 493327524 /nfs/dbraw/zinc/32/75/24/493327524.db2.gz SMRWLVDZNGHARL-BBWFWOEESA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000673465159 493331647 /nfs/dbraw/zinc/33/16/47/493331647.db2.gz PNIWEDFPEKMMIQ-CVEARBPZSA-N 2 0 370.538 0.648 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660624865 493367715 /nfs/dbraw/zinc/36/77/15/493367715.db2.gz IQUAITBAIWVIEK-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982736 493379356 /nfs/dbraw/zinc/37/93/56/493379356.db2.gz NKFKNXDOTXCHEP-WMZOPIPTSA-N 2 0 369.579 0.845 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668624933 493386158 /nfs/dbraw/zinc/38/61/58/493386158.db2.gz CXZUQGZGYWKPML-ZBFHGGJFSA-N 2 0 354.495 0.202 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000661131429 493409904 /nfs/dbraw/zinc/40/99/04/493409904.db2.gz UJURINIXYGAZCW-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000661408802 493435369 /nfs/dbraw/zinc/43/53/69/493435369.db2.gz FWIDZXGNISKQJS-WBVHZDCISA-N 2 0 357.458 0.283 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000668989016 493447002 /nfs/dbraw/zinc/44/70/02/493447002.db2.gz OMSFOQUNEPKLBG-IAGOWNOFSA-N 2 0 358.490 0.727 20 0 FCADRP O=C1CC[C@@H]2C[NH+](C/C=C\C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595787 493450295 /nfs/dbraw/zinc/45/02/95/493450295.db2.gz DYIFSUMIIDYSHG-YCIJERRISA-N 2 0 360.502 0.744 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)ccn2)CC1 ZINC000669156610 493469588 /nfs/dbraw/zinc/46/95/88/493469588.db2.gz HGOZLQRQXFDDCF-IAGOWNOFSA-N 2 0 358.490 0.727 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000685276926 493472041 /nfs/dbraw/zinc/47/20/41/493472041.db2.gz DKWGIWOYTTVJRB-HUUCEWRRSA-N 2 0 357.458 0.472 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661951288 493478659 /nfs/dbraw/zinc/47/86/59/493478659.db2.gz KXMASLIQOWNFEU-INIZCTEOSA-N 2 0 351.495 0.420 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661985758 493480817 /nfs/dbraw/zinc/48/08/17/493480817.db2.gz XLZVXRVJKGEWPQ-RDJZCZTQSA-N 2 0 368.522 0.726 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000685520002 493500789 /nfs/dbraw/zinc/50/07/89/493500789.db2.gz BNBJIQSRSZYMHI-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000685519471 493501030 /nfs/dbraw/zinc/50/10/30/493501030.db2.gz SUWKHVXZWIRVSK-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCN(CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000669414897 493502329 /nfs/dbraw/zinc/50/23/29/493502329.db2.gz XYWGLGAWEXGFGF-UHFFFAOYSA-N 2 0 368.570 0.338 20 0 FCADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCN(c2cnccn2)CC1 ZINC000662291775 493503777 /nfs/dbraw/zinc/50/37/77/493503777.db2.gz KFBZLNWCYMUFQB-GOSISDBHSA-N 2 0 372.517 0.837 20 0 FCADRP CN(CCCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000662290970 493503819 /nfs/dbraw/zinc/50/38/19/493503819.db2.gz ARIWCRORFCQJHJ-MRXNPFEDSA-N 2 0 374.551 0.096 20 0 FCADRP C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568541 493504151 /nfs/dbraw/zinc/50/41/51/493504151.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 2 0 368.566 0.293 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491439 493507207 /nfs/dbraw/zinc/50/72/07/493507207.db2.gz ZDKBKDBBOHKIIQ-UONOGXRCSA-N 2 0 363.428 0.606 20 0 FCADRP Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nnn1[C@H]1CC[NH2+]C1 ZINC000662351824 493509031 /nfs/dbraw/zinc/50/90/31/493509031.db2.gz PAXUOEMSEIBTNC-GJZGRUSLSA-N 2 0 350.467 0.208 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000662384088 493511052 /nfs/dbraw/zinc/51/10/52/493511052.db2.gz UBQCNFWXBIQEKT-UHFFFAOYSA-N 2 0 371.489 0.487 20 0 FCADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000662403763 493513118 /nfs/dbraw/zinc/51/31/18/493513118.db2.gz YLWUIHGEYUJLRP-ZDUSSCGKSA-N 2 0 356.492 0.873 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000669594269 493513235 /nfs/dbraw/zinc/51/32/35/493513235.db2.gz RYTNIMWEMISAIN-UHFFFAOYSA-N 2 0 368.570 0.338 20 0 FCADRP CN(C)C(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000669626178 493515417 /nfs/dbraw/zinc/51/54/17/493515417.db2.gz JFQZIOXKQJCCCB-UHFFFAOYSA-N 2 0 370.519 0.502 20 0 FCADRP Cc1c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662467744 493518617 /nfs/dbraw/zinc/51/86/17/493518617.db2.gz ZVIGRJZFZWKGPR-INIZCTEOSA-N 2 0 362.478 0.305 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000662658322 493530224 /nfs/dbraw/zinc/53/02/24/493530224.db2.gz DHIIUAHOKZAULK-IRXDYDNUSA-N 2 0 367.515 0.524 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662682562 493531633 /nfs/dbraw/zinc/53/16/33/493531633.db2.gz JOEGLNKIIYCGIA-IRXDYDNUSA-N 2 0 360.458 0.686 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712084 493533661 /nfs/dbraw/zinc/53/36/61/493533661.db2.gz PXJZREPUYLUPND-DOMZBBRYSA-N 2 0 364.412 0.587 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712100 493533920 /nfs/dbraw/zinc/53/39/20/493533920.db2.gz PXJZREPUYLUPND-WFASDCNBSA-N 2 0 364.412 0.587 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000662752796 493537694 /nfs/dbraw/zinc/53/76/94/493537694.db2.gz KSZMKFUDFGGNCQ-AWEZNQCLSA-N 2 0 356.430 0.564 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)ccn2)CC1 ZINC000662757791 493539137 /nfs/dbraw/zinc/53/91/37/493539137.db2.gz NTZCAEDQKMPJTP-MRXNPFEDSA-N 2 0 371.407 0.992 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662774245 493541081 /nfs/dbraw/zinc/54/10/81/493541081.db2.gz PTSVXYXNPZXHHK-GXSJLCMTSA-N 2 0 362.318 0.481 20 0 FCADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832500 493545426 /nfs/dbraw/zinc/54/54/26/493545426.db2.gz HKYDLYIMYACWBT-HOTGVXAUSA-N 2 0 362.478 0.357 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662871619 493548771 /nfs/dbraw/zinc/54/87/71/493548771.db2.gz ATMBOQPJHUTOBB-HKUYNNGSSA-N 2 0 360.502 0.861 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662931026 493555868 /nfs/dbraw/zinc/55/58/68/493555868.db2.gz ZFOXGXHBULYUOC-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)cc2)CC1 ZINC000662945606 493558572 /nfs/dbraw/zinc/55/85/72/493558572.db2.gz FYTZZOLBWRMVNL-UHFFFAOYSA-N 2 0 370.457 0.318 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000670432809 493566327 /nfs/dbraw/zinc/56/63/27/493566327.db2.gz FEXCBWWRXBXTDV-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019813 493567065 /nfs/dbraw/zinc/56/70/65/493567065.db2.gz VCXWQTHIGSMWPP-XHSDSOJGSA-N 2 0 360.506 0.900 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000670535902 493577799 /nfs/dbraw/zinc/57/77/99/493577799.db2.gz ICPVBLDBUIXYQA-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1F ZINC000670545974 493579526 /nfs/dbraw/zinc/57/95/26/493579526.db2.gz KJSXWMXSXVUXBD-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671179 493586871 /nfs/dbraw/zinc/58/68/71/493586871.db2.gz OUMCBFCIFNFUFJ-IAGOWNOFSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000670671410 493587027 /nfs/dbraw/zinc/58/70/27/493587027.db2.gz CMAQKEFXALKZCB-IRXDYDNUSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000670671329 493587077 /nfs/dbraw/zinc/58/70/77/493587077.db2.gz OQQNFKQCWDSFIQ-YESZJQIVSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671910 493587525 /nfs/dbraw/zinc/58/75/25/493587525.db2.gz CLUQUCBQOJHAFB-WBVHZDCISA-N 2 0 368.522 0.306 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000663479685 493591311 /nfs/dbraw/zinc/59/13/11/493591311.db2.gz JTIYGVZADOMUOF-ROUUACIJSA-N 2 0 368.522 0.584 20 0 FCADRP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2CN(C)CCO2)cn1)[C@H]1CN(C)CCO1 ZINC000663730422 493615565 /nfs/dbraw/zinc/61/55/65/493615565.db2.gz PXVKKGHAGFAKND-GEEKYZPCSA-N 2 0 364.494 0.739 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104268 493634325 /nfs/dbraw/zinc/63/43/25/493634325.db2.gz NABNNMGGTYPSLD-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107190 493635502 /nfs/dbraw/zinc/63/55/02/493635502.db2.gz GTCNOGWANXTLDY-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671106627 493635542 /nfs/dbraw/zinc/63/55/42/493635542.db2.gz HZFCDCDMOPIQND-TWMKSMIVSA-N 2 0 366.506 0.345 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000671134669 493642001 /nfs/dbraw/zinc/64/20/01/493642001.db2.gz IEYLSWZZXMKWJD-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664219541 493645184 /nfs/dbraw/zinc/64/51/84/493645184.db2.gz NHCBGFDLZRLGRX-QGZVFWFLSA-N 2 0 356.511 0.851 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000664394781 493657380 /nfs/dbraw/zinc/65/73/80/493657380.db2.gz CXUNDQFHKGUBHE-MRXNPFEDSA-N 2 0 355.527 0.626 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000671375773 493661627 /nfs/dbraw/zinc/66/16/27/493661627.db2.gz OKWBWWGZLNUPLG-AWEZNQCLSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000671390475 493663050 /nfs/dbraw/zinc/66/30/50/493663050.db2.gz RJPJJHRYCQEJIC-WBVHZDCISA-N 2 0 362.474 0.070 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664538337 493666354 /nfs/dbraw/zinc/66/63/54/493666354.db2.gz CWENZLLJQYUIIZ-GOSISDBHSA-N 2 0 367.538 0.253 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000679369667 493676846 /nfs/dbraw/zinc/67/68/46/493676846.db2.gz XMTSAFPEJHFUSZ-CZUORRHYSA-N 2 0 354.414 0.758 20 0 FCADRP Cn1ncc2c1CCCN(CC(O)C[N@@H+]1CCCc3c(cnn3C)C1)C2 ZINC000664779083 493683239 /nfs/dbraw/zinc/68/32/39/493683239.db2.gz BICAXWORXBWKRI-UHFFFAOYSA-N 2 0 358.490 0.711 20 0 FCADRP C[C@@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+](C)C ZINC000664884000 493688766 /nfs/dbraw/zinc/68/87/66/493688766.db2.gz UCGDKIKURHTQGW-HNSVSWJLSA-N 2 0 353.511 0.709 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cc(=O)cc(C(=O)NCCC[NH+](C)C)o1 ZINC000665110411 493700307 /nfs/dbraw/zinc/70/03/07/493700307.db2.gz BBFCDQKJVQBARU-UHFFFAOYSA-N 2 0 352.435 0.003 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671819764 493707687 /nfs/dbraw/zinc/70/76/87/493707687.db2.gz VMPRTKGIWROTEM-LSDHHAIUSA-N 2 0 354.495 0.060 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271271 493707960 /nfs/dbraw/zinc/70/79/60/493707960.db2.gz KNGSOEKUZSDMIA-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000671849290 493708541 /nfs/dbraw/zinc/70/85/41/493708541.db2.gz UBPNSHRHXRJNEH-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872629 493709737 /nfs/dbraw/zinc/70/97/37/493709737.db2.gz AHZQOHKUOGJKEM-RDJZCZTQSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)c1cc(C(=O)NCC(C)(C)[NH+](C)C)[nH]n1 ZINC000665358949 493711447 /nfs/dbraw/zinc/71/14/47/493711447.db2.gz UIQIVZJUYVRYAZ-UHFFFAOYSA-N 2 0 352.483 0.550 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000680520104 493722069 /nfs/dbraw/zinc/72/20/69/493722069.db2.gz JTKGGJSIUQHJAT-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000672010814 493724624 /nfs/dbraw/zinc/72/46/24/493724624.db2.gz OSCWUFHQWQAYNM-OAHLLOKOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010758 493724632 /nfs/dbraw/zinc/72/46/32/493724632.db2.gz DUVCRZDLJOIKTQ-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672308618 493753228 /nfs/dbraw/zinc/75/32/28/493753228.db2.gz VJWLVRMVYDNMMB-MRXNPFEDSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309454 493754034 /nfs/dbraw/zinc/75/40/34/493754034.db2.gz NOJRHVKMBJCFGA-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310970 493755043 /nfs/dbraw/zinc/75/50/43/493755043.db2.gz QBLIUIOTAZCHEO-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000666183564 493761054 /nfs/dbraw/zinc/76/10/54/493761054.db2.gz KLYZAGGKOGLXQT-OAHLLOKOSA-N 2 0 350.467 0.508 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729047 533901029 /nfs/dbraw/zinc/90/10/29/533901029.db2.gz GSUVXCHDZFWBOI-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000413443877 534241017 /nfs/dbraw/zinc/24/10/17/534241017.db2.gz RNPBCZFYSZVBJU-SJORKVTESA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000947964620 674369173 /nfs/dbraw/zinc/36/91/73/674369173.db2.gz HCWIDHQWLSJNJN-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CCO[C@H](CN(CC2CC2)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423870345 536442469 /nfs/dbraw/zinc/44/24/69/536442469.db2.gz OVXRRXZLCCEQRL-SFHVURJKSA-N 2 0 352.523 0.759 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419960694 536448952 /nfs/dbraw/zinc/44/89/52/536448952.db2.gz WQTHEHQIKPPRTL-AEFFLSMTSA-N 2 0 360.502 0.939 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000410431098 527824043 /nfs/dbraw/zinc/82/40/43/527824043.db2.gz GSCNZDZEOWYNKL-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000410431101 527824480 /nfs/dbraw/zinc/82/44/80/527824480.db2.gz GSCNZDZEOWYNKL-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP COC[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419262531 536526514 /nfs/dbraw/zinc/52/65/14/536526514.db2.gz SSTMVXLPQVXLCN-OAHLLOKOSA-N 2 0 362.474 0.247 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000410471509 528145197 /nfs/dbraw/zinc/14/51/97/528145197.db2.gz QJLGGYKEVFNWLV-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000410471513 528148001 /nfs/dbraw/zinc/14/80/01/528148001.db2.gz QJLGGYKEVFNWLV-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000412471062 529048776 /nfs/dbraw/zinc/04/87/76/529048776.db2.gz ZKNHJGSBVYCOIR-QGZVFWFLSA-N 2 0 368.522 0.008 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000411027611 529057612 /nfs/dbraw/zinc/05/76/12/529057612.db2.gz OVASTLAAWKZIOJ-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419530529 536542936 /nfs/dbraw/zinc/54/29/36/536542936.db2.gz DUMGIFRXYMMGFS-UHFFFAOYSA-N 2 0 354.495 0.381 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423504206 535063232 /nfs/dbraw/zinc/06/32/32/535063232.db2.gz KSTZSRAWCVCIMV-IAGOWNOFSA-N 2 0 368.522 0.530 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419217835 535068449 /nfs/dbraw/zinc/06/84/49/535068449.db2.gz RHSVFZNYFAYWJS-MRXNPFEDSA-N 2 0 350.463 0.343 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165215 535068601 /nfs/dbraw/zinc/06/86/01/535068601.db2.gz FZKKCNJBXLSCCH-ZWKOTPCHSA-N 2 0 360.502 0.767 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000439240793 535120561 /nfs/dbraw/zinc/12/05/61/535120561.db2.gz XCWMBGJLBDDFLT-ROUUACIJSA-N 2 0 355.523 0.989 20 0 FCADRP CCCN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419231480 535194383 /nfs/dbraw/zinc/19/43/83/535194383.db2.gz RWVFHBXXKBSCOW-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419761642 535297196 /nfs/dbraw/zinc/29/71/96/535297196.db2.gz KUSCZFUAJGKZDF-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000419480489 535439295 /nfs/dbraw/zinc/43/92/95/535439295.db2.gz NMFGXBVFGCKDNI-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430561167 535461283 /nfs/dbraw/zinc/46/12/83/535461283.db2.gz JXTFFFFQURLHOD-MRXNPFEDSA-N 2 0 360.506 0.835 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419238665 535462846 /nfs/dbraw/zinc/46/28/46/535462846.db2.gz DJMPVWHFDXHFHT-HZPDHXFCSA-N 2 0 360.502 0.985 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415362916 535463877 /nfs/dbraw/zinc/46/38/77/535463877.db2.gz CPFHSBSXXKGZED-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419587887 535477342 /nfs/dbraw/zinc/47/73/42/535477342.db2.gz NWUGHCMWPULJHW-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000423452724 535549998 /nfs/dbraw/zinc/54/99/98/535549998.db2.gz WSMWFPHGLFTZAL-MAUKXSAKSA-N 2 0 354.495 0.143 20 0 FCADRP CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000439472439 535598255 /nfs/dbraw/zinc/59/82/55/535598255.db2.gz ISPHXCSOQTUWIG-IBGZPJMESA-N 2 0 369.506 0.879 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369328 535652647 /nfs/dbraw/zinc/65/26/47/535652647.db2.gz HMHCUPLIYASZTF-ZWKOTPCHSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000415340752 535750312 /nfs/dbraw/zinc/75/03/12/535750312.db2.gz NMOMZXJULBDMEK-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423373891 535866492 /nfs/dbraw/zinc/86/64/92/535866492.db2.gz SNDVWYZXTQNMRC-UHFFFAOYSA-N 2 0 362.474 0.772 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000415299335 535904930 /nfs/dbraw/zinc/90/49/30/535904930.db2.gz YGKMQNBPHAZSTK-LLVKDONJSA-N 2 0 354.838 0.779 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000419713761 535927710 /nfs/dbraw/zinc/92/77/10/535927710.db2.gz RWQHUJDQODPCJY-QGZVFWFLSA-N 2 0 360.502 0.913 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423612228 536355150 /nfs/dbraw/zinc/35/51/50/536355150.db2.gz PELXAFVCFJNBPG-OAHLLOKOSA-N 2 0 352.504 0.849 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423401756 536367282 /nfs/dbraw/zinc/36/72/82/536367282.db2.gz XHYJYYLLVIWWGR-FUHWJXTLSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423451447 536416154 /nfs/dbraw/zinc/41/61/54/536416154.db2.gz VCBDTHNGRRHCEO-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000423455945 536416428 /nfs/dbraw/zinc/41/64/28/536416428.db2.gz GFRMCATXYZHVKP-WMZOPIPTSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163118 536417190 /nfs/dbraw/zinc/41/71/90/536417190.db2.gz JCXHCLHCRXJLFC-ZWKOTPCHSA-N 2 0 374.485 0.214 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419878211 536449203 /nfs/dbraw/zinc/44/92/03/536449203.db2.gz YSEBXFDBXIIFJV-SJLPKXTDSA-N 2 0 358.486 0.820 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)[C@@H]2C1 ZINC000425379303 536487476 /nfs/dbraw/zinc/48/74/76/536487476.db2.gz AMVVMBOWVNBKMH-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP COC[C@]1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC[NH2+]C1 ZINC000423384377 536653498 /nfs/dbraw/zinc/65/34/98/536653498.db2.gz LDDTYICIHOVQJO-LMMKCTJWSA-N 2 0 352.523 0.630 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000419754541 536747539 /nfs/dbraw/zinc/74/75/39/536747539.db2.gz PAGIYSUMAKHJSW-ZIAGYGMSSA-N 2 0 354.495 0.201 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423442941 536775743 /nfs/dbraw/zinc/77/57/43/536775743.db2.gz KITXIJGAELWOSA-NVXWUHKLSA-N 2 0 368.522 0.389 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423442250 536775894 /nfs/dbraw/zinc/77/58/94/536775894.db2.gz JTFVTFWFTZUYJX-INIZCTEOSA-N 2 0 354.495 0.143 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164654 546549500 /nfs/dbraw/zinc/54/95/00/546549500.db2.gz GYTRSGLOEZRHNQ-CVEARBPZSA-N 2 0 367.519 0.790 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164659 546550079 /nfs/dbraw/zinc/55/00/79/546550079.db2.gz GYTRSGLOEZRHNQ-HZPDHXFCSA-N 2 0 367.519 0.790 20 0 FCADRP CCC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000501791847 546566030 /nfs/dbraw/zinc/56/60/30/546566030.db2.gz GWLCRIWKIHJRMJ-OKYOBFRVSA-N 2 0 357.539 0.889 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000080152878 546568213 /nfs/dbraw/zinc/56/82/13/546568213.db2.gz WWNSDLQATXVSSP-INIZCTEOSA-N 2 0 355.527 0.280 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1cccs1 ZINC000174719339 546583905 /nfs/dbraw/zinc/58/39/05/546583905.db2.gz WBBUMNIZCUPLHA-UHFFFAOYSA-N 2 0 367.519 0.643 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+](C)C1 ZINC000594283152 546779045 /nfs/dbraw/zinc/77/90/45/546779045.db2.gz CSKPOZJXSUKJJE-BZUAXINKSA-N 2 0 352.479 0.750 20 0 FCADRP CCc1nn(C)c(CC)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000152691541 546923138 /nfs/dbraw/zinc/92/31/38/546923138.db2.gz HBJXUYNTPMJMPG-UHFFFAOYSA-N 2 0 359.540 0.659 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550455947 547086657 /nfs/dbraw/zinc/08/66/57/547086657.db2.gz FBGKGCWCTVOTFR-INIZCTEOSA-N 2 0 356.511 0.260 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000550836899 547109869 /nfs/dbraw/zinc/10/98/69/547109869.db2.gz SXLKIHLVFNLGDF-KRWDZBQOSA-N 2 0 356.536 0.531 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550834449 547110174 /nfs/dbraw/zinc/11/01/74/547110174.db2.gz JODYEGKGLGEKNV-KRWDZBQOSA-N 2 0 358.552 0.586 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902368 547113678 /nfs/dbraw/zinc/11/36/78/547113678.db2.gz SPWIRRSVBRJWCN-CVEARBPZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550904530 547114785 /nfs/dbraw/zinc/11/47/85/547114785.db2.gz YRBIZWZSMWEPJU-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000550957128 547117169 /nfs/dbraw/zinc/11/71/69/547117169.db2.gz IZRDACOAMRQFGS-HNNXBMFYSA-N 2 0 356.511 0.260 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551214908 547133924 /nfs/dbraw/zinc/13/39/24/547133924.db2.gz IPIUEMVUZSDVSS-YOEHRIQHSA-N 2 0 356.536 0.531 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000551210838 547134306 /nfs/dbraw/zinc/13/43/06/547134306.db2.gz ABDPSOSVZBVLAH-WMLDXEAASA-N 2 0 356.536 0.340 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000551217584 547135687 /nfs/dbraw/zinc/13/56/87/547135687.db2.gz SAYKPYJAUVMEFQ-YJBOKZPZSA-N 2 0 368.547 0.627 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280334 547138535 /nfs/dbraw/zinc/13/85/35/547138535.db2.gz NUVMHUMKSJCSFL-HOTGVXAUSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551282058 547139470 /nfs/dbraw/zinc/13/94/70/547139470.db2.gz QGRSEFTWWCMDQD-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278623 547139562 /nfs/dbraw/zinc/13/95/62/547139562.db2.gz SALOZDNGHCROLA-CVEARBPZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000551490139 547148034 /nfs/dbraw/zinc/14/80/34/547148034.db2.gz LLFSLLYHRQSTBD-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000552131393 547189494 /nfs/dbraw/zinc/18/94/94/547189494.db2.gz FUKJBLMDYHWSJP-UHFFFAOYSA-N 2 0 371.503 0.977 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000552287308 547199481 /nfs/dbraw/zinc/19/94/81/547199481.db2.gz FGZJPHWQSATKIZ-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704539 547225706 /nfs/dbraw/zinc/22/57/06/547225706.db2.gz LTMHLBUGUXKZKT-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000553023438 547246536 /nfs/dbraw/zinc/24/65/36/547246536.db2.gz REMGQYCAJTXKKK-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C[C@H]1C ZINC000553372643 547274072 /nfs/dbraw/zinc/27/40/72/547274072.db2.gz ZSLMOJFKGPHFSS-OAGGEKHMSA-N 2 0 354.495 0.155 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@](C)(O)C[NH+](C)C)CC2)CC1 ZINC000553532273 547285653 /nfs/dbraw/zinc/28/56/53/547285653.db2.gz NIMUZBJCDGICNU-IBGZPJMESA-N 2 0 354.539 0.612 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000553615228 547293884 /nfs/dbraw/zinc/29/38/84/547293884.db2.gz GBTWPKXZIGCIOW-HZPDHXFCSA-N 2 0 356.511 0.402 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@]1(O)CCSC1 ZINC000270803048 547389895 /nfs/dbraw/zinc/38/98/95/547389895.db2.gz JXOZYPRYIZEYTN-QGZVFWFLSA-N 2 0 350.488 0.578 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+](CCCO)CCO3)CC[N@@H+]1C ZINC000949373209 674403015 /nfs/dbraw/zinc/40/30/15/674403015.db2.gz OAQOFEJSSXARKX-DLBZAZTESA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000949858310 674414265 /nfs/dbraw/zinc/41/42/65/674414265.db2.gz BEUHUJMFUADFAA-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000951153967 674450463 /nfs/dbraw/zinc/45/04/63/674450463.db2.gz QYFWBEVAYKHIEL-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000954408640 674496478 /nfs/dbraw/zinc/49/64/78/674496478.db2.gz HBJLCAXLXSFYAR-QSJFSLAZSA-N 2 0 350.507 0.726 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954502830 674498422 /nfs/dbraw/zinc/49/84/22/674498422.db2.gz SHUBJONEHUTCJH-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000956387157 674522685 /nfs/dbraw/zinc/52/26/85/674522685.db2.gz IQJBBVXVLSFEIZ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825453508 607719167 /nfs/dbraw/zinc/71/91/67/607719167.db2.gz VJEQCVFFNUCMJB-ZDUSSCGKSA-N 2 0 360.466 0.683 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000957015504 674533733 /nfs/dbraw/zinc/53/37/33/674533733.db2.gz XLXFDENEWTZKNK-RKVPGOIHSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000957166209 674538881 /nfs/dbraw/zinc/53/88/81/674538881.db2.gz JSAAWTCFPSVOMC-OGWOLHLISA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729588569 665732365 /nfs/dbraw/zinc/73/23/65/665732365.db2.gz SMDNIJNVAFKDKJ-HOTGVXAUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C)C1 ZINC000990006382 665838152 /nfs/dbraw/zinc/83/81/52/665838152.db2.gz SMROBVVEGYMUHP-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000990006763 665838175 /nfs/dbraw/zinc/83/81/75/665838175.db2.gz ZHMUTCCPURQEMZ-UXLLHSPISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924629283 665855215 /nfs/dbraw/zinc/85/52/15/665855215.db2.gz OGYLODASKRCQKG-OAHLLOKOSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2)CO1 ZINC000891102958 663311128 /nfs/dbraw/zinc/31/11/28/663311128.db2.gz HUVKIIBLYNUEAG-SOLBZPMBSA-N 2 0 356.511 0.848 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21)[NH+](C)C ZINC001022020439 663388295 /nfs/dbraw/zinc/38/82/95/663388295.db2.gz LKQWYSCXJAHNFH-VVLHAWIVSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971560683 663397656 /nfs/dbraw/zinc/39/76/56/663397656.db2.gz IWXBFALVDCEDHQ-RBSFLKMASA-N 2 0 350.463 0.008 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891484331 663409178 /nfs/dbraw/zinc/40/91/78/663409178.db2.gz UPXBQRWFUSNTRC-JKSUJKDBSA-N 2 0 353.511 0.842 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000891493710 663409537 /nfs/dbraw/zinc/40/95/37/663409537.db2.gz ZBQYNZGDWGNCIY-QGZVFWFLSA-N 2 0 350.463 0.929 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891528260 663412211 /nfs/dbraw/zinc/41/22/11/663412211.db2.gz NYQZJLBBBDWTBC-UPJWGTAASA-N 2 0 351.417 0.401 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891538353 663412993 /nfs/dbraw/zinc/41/29/93/663412993.db2.gz VIZPBQQTYYUYKP-LBPRGKRZSA-N 2 0 353.492 0.780 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000891694368 663428010 /nfs/dbraw/zinc/42/80/10/663428010.db2.gz MARMKQBUOFODMP-CFVMTHIKSA-N 2 0 360.449 0.908 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCOCC[NH+](C)C)c1 ZINC000891844830 663442068 /nfs/dbraw/zinc/44/20/68/663442068.db2.gz PMZRQJYEQSVJOM-QGZVFWFLSA-N 2 0 350.463 0.929 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)o1 ZINC000926313023 663457772 /nfs/dbraw/zinc/45/77/72/663457772.db2.gz CHODDVOUZMPQKM-HNNXBMFYSA-N 2 0 350.463 0.676 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000891970390 663459383 /nfs/dbraw/zinc/45/93/83/663459383.db2.gz GEMOEDXUCAGNLG-OAHLLOKOSA-N 2 0 351.495 0.644 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000891970388 663459505 /nfs/dbraw/zinc/45/95/05/663459505.db2.gz GEMOEDXUCAGNLG-HNNXBMFYSA-N 2 0 351.495 0.644 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891971505 663459650 /nfs/dbraw/zinc/45/96/50/663459650.db2.gz WHFAEPJCSWCIQT-UHFFFAOYSA-N 2 0 351.495 0.468 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892036923 663469493 /nfs/dbraw/zinc/46/94/93/663469493.db2.gz QSWJUPUFZIIEOD-DLBZAZTESA-N 2 0 355.527 0.456 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892089007 663475017 /nfs/dbraw/zinc/47/50/17/663475017.db2.gz NYDDZCXDKPVFRR-IKGGRYGDSA-N 2 0 353.511 0.352 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892107735 663477229 /nfs/dbraw/zinc/47/72/29/663477229.db2.gz ITTPGZPTVIGXQJ-CHWSQXEVSA-N 2 0 365.444 0.900 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108609 663477372 /nfs/dbraw/zinc/47/73/72/663477372.db2.gz UMQHOQMRSCAGEM-OLZOCXBDSA-N 2 0 351.417 0.606 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000892263200 663507795 /nfs/dbraw/zinc/50/77/95/663507795.db2.gz LOSJNUSSMVPDFB-CRAIPNDOSA-N 2 0 351.495 0.561 20 0 FCADRP CN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+](C)CC1 ZINC000888991171 663602919 /nfs/dbraw/zinc/60/29/19/663602919.db2.gz RIJWYOPJEMZQEC-UHFFFAOYSA-N 2 0 352.523 0.727 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC001023376163 663620083 /nfs/dbraw/zinc/62/00/83/663620083.db2.gz XJVCANKYWPPEKM-NXHRZFHOSA-N 2 0 353.507 0.554 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001038274044 663623543 /nfs/dbraw/zinc/62/35/43/663623543.db2.gz UXQOAZXGEITPEU-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)[NH+](C)C ZINC000972861810 663896770 /nfs/dbraw/zinc/89/67/70/663896770.db2.gz VFKNMPTZZHTZFN-BRWVUGGUSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000959656438 674581664 /nfs/dbraw/zinc/58/16/64/674581664.db2.gz YSEQAJJOXCKXJK-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892594366 664045520 /nfs/dbraw/zinc/04/55/20/664045520.db2.gz JESBARKSQVKESB-HOCLYGCPSA-N 2 0 352.504 0.746 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649376 664058905 /nfs/dbraw/zinc/05/89/05/664058905.db2.gz LDAMPWZVZLYQNL-HZPDHXFCSA-N 2 0 353.511 0.570 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651525 664059059 /nfs/dbraw/zinc/05/90/59/664059059.db2.gz ZLLQHGCBUOYTJY-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892756767 664137209 /nfs/dbraw/zinc/13/72/09/664137209.db2.gz RVTKGMRREQVPLP-MRXNPFEDSA-N 2 0 354.495 0.555 20 0 FCADRP COCCC1(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC000892760488 664138637 /nfs/dbraw/zinc/13/86/37/664138637.db2.gz PYYBCPPFNMPNCI-HNNXBMFYSA-N 2 0 354.495 0.603 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CC(S(C)(=O)=O)C2)c1 ZINC000892867549 664151061 /nfs/dbraw/zinc/15/10/61/664151061.db2.gz XDDJOZVTVLTAJT-UHFFFAOYSA-N 2 0 353.488 0.643 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCC[C@H]1CN1CCOCC1)C2 ZINC000892879591 664152639 /nfs/dbraw/zinc/15/26/39/664152639.db2.gz QNLZLOAWPBKGHK-ZDUSSCGKSA-N 2 0 365.503 0.877 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000892918454 664154382 /nfs/dbraw/zinc/15/43/82/664154382.db2.gz FLIIMSJDYOUMSP-GDBMZVCRSA-N 2 0 351.495 0.275 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944935 664177156 /nfs/dbraw/zinc/17/71/56/664177156.db2.gz XCUKPMQXQFSIOQ-IKGGRYGDSA-N 2 0 354.495 0.338 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC000975038642 664299931 /nfs/dbraw/zinc/29/99/31/664299931.db2.gz CUOOCADGJKTCAV-QBPKDAKJSA-N 2 0 352.523 0.972 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCCC2=O)CC[N@@H+]1C ZINC001027893071 664472028 /nfs/dbraw/zinc/47/20/28/664472028.db2.gz LZFUZIFHLQWAEG-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001027893236 664472380 /nfs/dbraw/zinc/47/23/80/664472380.db2.gz PVGZQAFILNQTCM-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[N@H+](CCCO)CC2)CC1 ZINC000981185536 664816289 /nfs/dbraw/zinc/81/62/89/664816289.db2.gz YLALODVDIOLUNL-MSOLQXFVSA-N 2 0 353.507 0.650 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981194473 664817176 /nfs/dbraw/zinc/81/71/76/664817176.db2.gz ROQBVQFFJMWAKK-BZUAXINKSA-N 2 0 357.520 0.296 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981651677 664834448 /nfs/dbraw/zinc/83/44/48/664834448.db2.gz XQAGMUZEEXBFFC-USXIJHARSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H](C)C(N)=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982285673 664864559 /nfs/dbraw/zinc/86/45/59/664864559.db2.gz QXVHRXDIZGVUDB-IJCKYZCQSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1CN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000893742630 664872890 /nfs/dbraw/zinc/87/28/90/664872890.db2.gz KYEYNBHXFRNVDO-HYVNUMGLSA-N 2 0 354.495 0.384 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@]2(C)C1 ZINC000893739849 664872944 /nfs/dbraw/zinc/87/29/44/664872944.db2.gz AUELXQJDRATZJX-NWGLXNPWSA-N 2 0 350.507 0.957 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893740587 664872981 /nfs/dbraw/zinc/87/29/81/664872981.db2.gz FFKACERXVVEQKB-IRXDYDNUSA-N 2 0 354.495 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001028550194 664901884 /nfs/dbraw/zinc/90/18/84/664901884.db2.gz KHVHADRDJXGYQJ-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001028551727 664902011 /nfs/dbraw/zinc/90/20/11/664902011.db2.gz WBEPLIPZUMNLLT-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)N1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC000983707918 664985284 /nfs/dbraw/zinc/98/52/84/664985284.db2.gz GHPYWGVGGCASCG-HHARLNAUSA-N 2 0 350.507 0.820 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC000983708170 664985306 /nfs/dbraw/zinc/98/53/06/664985306.db2.gz HZQBSMNPMILSNS-WRQOLXDDSA-N 2 0 371.547 0.636 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC000983708674 664985315 /nfs/dbraw/zinc/98/53/15/664985315.db2.gz MGAUTDGBUXHZLX-OXGONZEZSA-N 2 0 357.520 0.246 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC000983714329 664985502 /nfs/dbraw/zinc/98/55/02/664985502.db2.gz PXWDVSYZIGFHHR-OVYGPGRDSA-N 2 0 371.547 0.636 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000896300255 665079834 /nfs/dbraw/zinc/07/98/34/665079834.db2.gz FVQRPCXOTQMQGL-MWDXBVQZSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000897293335 665165479 /nfs/dbraw/zinc/16/54/79/665165479.db2.gz JJALPJVLURXPOE-ILXRZTDVSA-N 2 0 354.520 0.235 20 0 FCADRP CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985441496 665167383 /nfs/dbraw/zinc/16/73/83/665167383.db2.gz JSTNJGKDMRGGIT-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC000985441385 665167679 /nfs/dbraw/zinc/16/76/79/665167679.db2.gz ZAEFFCZJYMRHOG-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cccs1 ZINC000418822792 674689669 /nfs/dbraw/zinc/68/96/69/674689669.db2.gz BFDQYTYKRKLRQN-CXAGYDPISA-N 2 0 350.488 0.822 20 0 FCADRP Cn1cnc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1Cl ZINC000320985848 665209009 /nfs/dbraw/zinc/20/90/09/665209009.db2.gz LXTJEEBAZRMMDH-UHFFFAOYSA-N 2 0 363.915 0.720 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000897433501 665258820 /nfs/dbraw/zinc/25/88/20/665258820.db2.gz XUWWWGFCWWBTGL-INIZCTEOSA-N 2 0 351.495 0.278 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000988323900 665285197 /nfs/dbraw/zinc/28/51/97/665285197.db2.gz QGWQWWGVJHVWFR-SRABZTEZSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911028436 666305477 /nfs/dbraw/zinc/30/54/77/666305477.db2.gz IAFQLQAPBZAQHA-HRCADAONSA-N 2 0 350.507 0.681 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000911258941 666330694 /nfs/dbraw/zinc/33/06/94/666330694.db2.gz USFVNUSVIXJYAS-OAHLLOKOSA-N 2 0 350.438 0.571 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000938402505 666467008 /nfs/dbraw/zinc/46/70/08/666467008.db2.gz VJNFBUGVHBPYDV-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC000941217530 666593672 /nfs/dbraw/zinc/59/36/72/666593672.db2.gz HNNYFHXRIRBHOW-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000941217529 666593685 /nfs/dbraw/zinc/59/36/85/666593685.db2.gz HNNYFHXRIRBHOW-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923595329 666605595 /nfs/dbraw/zinc/60/55/95/666605595.db2.gz IMBHUEONTDRLSO-UHFFFAOYSA-N 2 0 362.446 0.478 20 0 FCADRP C[NH+](C)CC1(O)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000913683684 666641842 /nfs/dbraw/zinc/64/18/42/666641842.db2.gz OERYVUQSMIZDFR-UHFFFAOYSA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000943285830 666768609 /nfs/dbraw/zinc/76/86/09/666768609.db2.gz PISJJPTUSOUILE-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000419476990 674765815 /nfs/dbraw/zinc/76/58/15/674765815.db2.gz HCDGCJKRHWWNNK-LJQANCHMSA-N 2 0 350.507 0.969 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993071232 666778445 /nfs/dbraw/zinc/77/84/45/666778445.db2.gz HAOROMGEFCCVTO-WFXMFSGNSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000996604555 666945468 /nfs/dbraw/zinc/94/54/68/666945468.db2.gz UOCOVSNUEWVTAH-YESZJQIVSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734242771 666958215 /nfs/dbraw/zinc/95/82/15/666958215.db2.gz LKAFTWMUJAOXLB-SFHVURJKSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994033706 666964656 /nfs/dbraw/zinc/96/46/56/666964656.db2.gz RYNLATOGVGPPRN-HYVNUMGLSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994218682 666979279 /nfs/dbraw/zinc/97/92/79/666979279.db2.gz MGZZZDDTHWNVOK-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)O1 ZINC001032473276 667150565 /nfs/dbraw/zinc/15/05/65/667150565.db2.gz IWMWPRUPJLGFBK-LAVFITLUSA-N 2 0 351.491 0.807 20 0 FCADRP CC[C@H](CN1CCOCC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000919510571 667182571 /nfs/dbraw/zinc/18/25/71/667182571.db2.gz UZEYAIUWCCLLJG-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000998360387 667208879 /nfs/dbraw/zinc/20/88/79/667208879.db2.gz VEHHXINDAWKFIR-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348718 667642295 /nfs/dbraw/zinc/64/22/95/667642295.db2.gz WVHFCKXFIJIQGV-ROUUACIJSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922349312 667643055 /nfs/dbraw/zinc/64/30/55/667643055.db2.gz SDBIVXLTQZHVCL-KSZLIROESA-N 2 0 352.523 0.772 20 0 FCADRP CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004449838 667687246 /nfs/dbraw/zinc/68/72/46/667687246.db2.gz JYTGMMBEYQLSEE-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033289108 667727491 /nfs/dbraw/zinc/72/74/91/667727491.db2.gz GTGIIZXOWNWRQB-BBWFWOEESA-N 2 0 357.470 0.759 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001034649569 667762431 /nfs/dbraw/zinc/76/24/31/667762431.db2.gz LDRYONNMYNVILB-QUSNUVHPSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001034939612 667772471 /nfs/dbraw/zinc/77/24/71/667772471.db2.gz HJDKWHYRFCSYBG-DJIMGWMZSA-N 2 0 371.547 0.732 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000922990757 667797718 /nfs/dbraw/zinc/79/77/18/667797718.db2.gz LTFBACDYGHAHOZ-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000946909226 667841906 /nfs/dbraw/zinc/84/19/06/667841906.db2.gz LFDJTMPDQJDNBI-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503803 667842700 /nfs/dbraw/zinc/84/27/00/667842700.db2.gz OUTWHJTUHFIVKV-GJZGRUSLSA-N 2 0 354.495 0.949 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2([NH+](C)C)CCC2)c1 ZINC000765726752 668013398 /nfs/dbraw/zinc/01/33/98/668013398.db2.gz WUSWYXQJIASDHU-UHFFFAOYSA-N 2 0 368.503 0.949 20 0 FCADRP CCOCCONC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000773258449 668082975 /nfs/dbraw/zinc/08/29/75/668082975.db2.gz FMDUKAGFNLGTQW-UHFFFAOYSA-N 2 0 351.451 0.861 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CN(C(=O)OC)C1 ZINC000770425671 668192250 /nfs/dbraw/zinc/19/22/50/668192250.db2.gz JRVCGICOXHQECK-HNNXBMFYSA-N 2 0 355.483 0.495 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000819288138 668994246 /nfs/dbraw/zinc/99/42/46/668994246.db2.gz VMCUGNDNXPOWKX-KRWDZBQOSA-N 2 0 369.531 0.739 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC1N=NC(=S)N1C1CC1 ZINC000820377191 669089606 /nfs/dbraw/zinc/08/96/06/669089606.db2.gz LDXUTUAWASXQEK-UHFFFAOYSA-N 2 0 369.539 0.579 20 0 FCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000831290677 669839297 /nfs/dbraw/zinc/83/92/97/669839297.db2.gz DQKXIZCXGPTBPZ-CVEARBPZSA-N 2 0 353.511 0.795 20 0 FCADRP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644265 669859963 /nfs/dbraw/zinc/85/99/63/669859963.db2.gz RCKQFJGBNURRMT-CABCVRRESA-N 2 0 351.882 0.939 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000834406967 669952532 /nfs/dbraw/zinc/95/25/32/669952532.db2.gz NHJUXNWSTHJEPR-CALCHBBNSA-N 2 0 350.507 0.824 20 0 FCADRP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817907783 670047862 /nfs/dbraw/zinc/04/78/62/670047862.db2.gz WLXHGXTXRFEJOY-HOTGVXAUSA-N 2 0 354.472 0.991 20 0 FCADRP CC1CN(C(=S)NCC[NH+](C)C)CCN(C(=S)NCC[NH+](C)C)C1 ZINC000840817779 670520503 /nfs/dbraw/zinc/52/05/03/670520503.db2.gz JQKVEPNUCZNRBS-UHFFFAOYSA-N 2 0 374.624 0.112 20 0 FCADRP O=C(CNC(=O)NCCCCCCC[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000841852331 670614876 /nfs/dbraw/zinc/61/48/76/670614876.db2.gz ZRWYFFQLWFZQKI-UHFFFAOYSA-N 2 0 353.511 0.764 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC000842014535 670625787 /nfs/dbraw/zinc/62/57/87/670625787.db2.gz CLNIVPMENDZSKB-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000842088257 670632634 /nfs/dbraw/zinc/63/26/34/670632634.db2.gz MZKMZYUMYYWNBA-RHSMWYFYSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000843204487 670780238 /nfs/dbraw/zinc/78/02/38/670780238.db2.gz NQNAWPSRYYPDTK-UHFFFAOYSA-N 2 0 353.448 0.468 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364214 670807866 /nfs/dbraw/zinc/80/78/66/670807866.db2.gz RVZWLOHBHGREDG-ZDUSSCGKSA-N 2 0 366.487 0.737 20 0 FCADRP CN(C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCC([NH3+])CC1 ZINC000851690449 671457943 /nfs/dbraw/zinc/45/79/43/671457943.db2.gz FMSXBGDXOGCCNZ-UHFFFAOYSA-N 2 0 350.507 0.953 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853683338 671554072 /nfs/dbraw/zinc/55/40/72/671554072.db2.gz QUVDIGLQZMBNBA-GVDBMIGSSA-N 2 0 352.479 0.090 20 0 FCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000857254130 671721952 /nfs/dbraw/zinc/72/19/52/671721952.db2.gz ZFHQUNIOSHMCMP-RYUDHWBXSA-N 2 0 363.505 0.800 20 0 FCADRP CC1CCC(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000903523249 675938126 /nfs/dbraw/zinc/93/81/26/675938126.db2.gz ZBHAPLBAXRJUQF-UGSUZCALSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758439 675968963 /nfs/dbraw/zinc/96/89/63/675968963.db2.gz JYTYXKUZYNPKNG-CVEARBPZSA-N 2 0 359.536 0.749 20 0 FCADRP O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903914851 675981977 /nfs/dbraw/zinc/98/19/77/675981977.db2.gz LGUKSXVWAOYMFH-VXGBXAGGSA-N 2 0 360.384 0.703 20 0 FCADRP O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000864305034 672187962 /nfs/dbraw/zinc/18/79/62/672187962.db2.gz VYFMAYUDJZKFLM-SWLSCSKDSA-N 2 0 358.364 0.981 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CC4CCOCC4)C3)C2)CC[N@@H+]1C ZINC001053806506 675998439 /nfs/dbraw/zinc/99/84/39/675998439.db2.gz JZWIYQNIUJZBQP-DJIMGWMZSA-N 2 0 351.491 0.713 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232713 672390150 /nfs/dbraw/zinc/39/01/50/672390150.db2.gz RZRYPUHQLHDAGG-HOCLYGCPSA-N 2 0 372.535 0.231 20 0 FCADRP CCn1[nH]c(C)nc1=NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000888529045 672425618 /nfs/dbraw/zinc/42/56/18/672425618.db2.gz NWFNVHVPLGRMSD-HNNXBMFYSA-N 2 0 351.499 0.908 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)CSC)CC2)CC[N@@H+]1C ZINC001055511037 676021821 /nfs/dbraw/zinc/02/18/21/676021821.db2.gz TYYTXBPOGJSDDD-JKSUJKDBSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583655 676025217 /nfs/dbraw/zinc/02/52/17/676025217.db2.gz WRKBCKVRRTXVDA-MUIFIZLQSA-N 2 0 350.507 0.679 20 0 FCADRP CSCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583455 676025233 /nfs/dbraw/zinc/02/52/33/676025233.db2.gz OLSJUGXBDFWBCF-GDBMZVCRSA-N 2 0 370.563 0.777 20 0 FCADRP Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc1Cl ZINC000123489518 672529922 /nfs/dbraw/zinc/52/99/22/672529922.db2.gz VMXHJIQSEDOTHP-UHFFFAOYSA-N 2 0 365.931 0.968 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633674 676028833 /nfs/dbraw/zinc/02/88/33/676028833.db2.gz YFIWXENPWNATAX-PBHICJAKSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000871811871 672573253 /nfs/dbraw/zinc/57/32/53/672573253.db2.gz SUZORQUXIXEVRG-GOSISDBHSA-N 2 0 366.531 0.258 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297744 672611329 /nfs/dbraw/zinc/61/13/29/672611329.db2.gz UXCYCESWJGWCCL-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873328928 672714083 /nfs/dbraw/zinc/71/40/83/672714083.db2.gz RWLCEPOYFRSCGZ-CQSZACIVSA-N 2 0 350.467 0.725 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000876873598 672984154 /nfs/dbraw/zinc/98/41/54/672984154.db2.gz LDXBQCGKCCWKLO-BZUAXINKSA-N 2 0 359.536 0.861 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(C)n1 ZINC000879898911 673149916 /nfs/dbraw/zinc/14/99/16/673149916.db2.gz MLNWZYOGVFNMQB-CQSZACIVSA-N 2 0 350.467 0.660 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000880129469 673174785 /nfs/dbraw/zinc/17/47/85/673174785.db2.gz JOLSJESDQSAUMT-KZNAEPCWSA-N 2 0 352.523 0.628 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000888870081 673219399 /nfs/dbraw/zinc/21/93/99/673219399.db2.gz LFQCMTCNZUPUCV-OAHLLOKOSA-N 2 0 353.511 0.870 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])CC(F)(F)F)C1 ZINC000883445304 673376063 /nfs/dbraw/zinc/37/60/63/673376063.db2.gz SJQASLGNKJLCGY-CYBMUJFWSA-N 2 0 354.417 0.282 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000884488307 673456632 /nfs/dbraw/zinc/45/66/32/673456632.db2.gz SFQTYWPMVSNZGZ-QWHCGFSZSA-N 2 0 362.465 0.830 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000884502178 673457796 /nfs/dbraw/zinc/45/77/96/673457796.db2.gz CNOIPAGEWFRNDJ-KBPBESRZSA-N 2 0 360.449 0.584 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000884518442 673459444 /nfs/dbraw/zinc/45/94/44/673459444.db2.gz PEBUTTOSMJJSMD-UHFFFAOYSA-N 2 0 350.463 0.487 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000884553540 673461575 /nfs/dbraw/zinc/46/15/75/673461575.db2.gz ALAWXTXXCYMDRH-MPPDQPJWSA-N 2 0 362.396 0.323 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884555389 673461900 /nfs/dbraw/zinc/46/19/00/673461900.db2.gz QGVCNMASUYKZLB-AAXDQBDMSA-N 2 0 362.396 0.181 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884587421 673464254 /nfs/dbraw/zinc/46/42/54/673464254.db2.gz IJSYQKKFPFPJAG-SFHVURJKSA-N 2 0 356.511 0.294 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884601783 673465054 /nfs/dbraw/zinc/46/50/54/673465054.db2.gz VSIQIVXPGQLWGE-NSHDSACASA-N 2 0 353.492 0.333 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884617171 673466355 /nfs/dbraw/zinc/46/63/55/673466355.db2.gz IYIVTHNCNALDPK-YNEHKIRRSA-N 2 0 364.412 0.573 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884626274 673466921 /nfs/dbraw/zinc/46/69/21/673466921.db2.gz FYAPLTILWBBHJH-CYBMUJFWSA-N 2 0 358.433 0.338 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884665480 673470710 /nfs/dbraw/zinc/47/07/10/673470710.db2.gz VXJLBKZZGJZWSY-GRYCIOLGSA-N 2 0 352.401 0.429 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)C ZINC000884669155 673471018 /nfs/dbraw/zinc/47/10/18/673471018.db2.gz NXXFDIXFRFXYLF-CHWSQXEVSA-N 2 0 366.428 0.817 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884774303 673480853 /nfs/dbraw/zinc/48/08/53/673480853.db2.gz KDGBVQFCIHYFGF-YFKTTZPYSA-N 2 0 350.385 0.038 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000884775878 673481143 /nfs/dbraw/zinc/48/11/43/673481143.db2.gz KUXJDGUDVYRSEV-MJBXVCDLSA-N 2 0 358.433 0.481 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000884909087 673490486 /nfs/dbraw/zinc/49/04/86/673490486.db2.gz OHMFPEFGVFCGOX-JYJNAYRXSA-N 2 0 354.495 0.189 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000884966744 673493882 /nfs/dbraw/zinc/49/38/82/673493882.db2.gz RYHXERBTTOACOF-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000884973798 673494683 /nfs/dbraw/zinc/49/46/83/673494683.db2.gz GHLUMSMDPGNRPX-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000884973950 673494994 /nfs/dbraw/zinc/49/49/94/673494994.db2.gz JMTUYYDIAYZGMR-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000884976707 673495318 /nfs/dbraw/zinc/49/53/18/673495318.db2.gz XUUUVFGWESRBDV-ZBFHGGJFSA-N 2 0 354.495 0.188 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009274 673497711 /nfs/dbraw/zinc/49/77/11/673497711.db2.gz OWPSPOSFUWQWBE-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885199733 673507972 /nfs/dbraw/zinc/50/79/72/673507972.db2.gz VOZRTVTVSUPRNL-UHFFFAOYSA-N 2 0 352.454 0.960 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000885281038 673511769 /nfs/dbraw/zinc/51/17/69/673511769.db2.gz VUBBUGQKPJWYNE-ZDUSSCGKSA-N 2 0 358.433 0.434 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000886900557 673609100 /nfs/dbraw/zinc/60/91/00/673609100.db2.gz BAPRFSVYNQONKU-KRWDZBQOSA-N 2 0 358.552 0.419 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000888042579 673665550 /nfs/dbraw/zinc/66/55/50/673665550.db2.gz WSEQHRVJPJANBD-QKPAOTATSA-N 2 0 356.511 0.159 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890132872 673704788 /nfs/dbraw/zinc/70/47/88/673704788.db2.gz GASZGKVOILHWKV-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890143531 673707959 /nfs/dbraw/zinc/70/79/59/673707959.db2.gz UYFZYQYLXJYIDO-QGZVFWFLSA-N 2 0 353.511 0.130 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000924383669 673751521 /nfs/dbraw/zinc/75/15/21/673751521.db2.gz IUXASWDMVIEVJK-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H]1C[N@H+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741574 673762429 /nfs/dbraw/zinc/76/24/29/673762429.db2.gz GJABVUTYYNQTNS-JKSUJKDBSA-N 2 0 352.479 0.894 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925042752 673774715 /nfs/dbraw/zinc/77/47/15/673774715.db2.gz VLASLCQIFRRUES-DOTOQJQBSA-N 2 0 372.579 0.805 20 0 FCADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925811416 673805025 /nfs/dbraw/zinc/80/50/25/673805025.db2.gz ILZHGOSIGOQTMI-FGTMMUONSA-N 2 0 367.515 0.853 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cn1 ZINC000926051454 673809892 /nfs/dbraw/zinc/80/98/92/673809892.db2.gz WQGUKXMDIQPVHV-AWEZNQCLSA-N 2 0 350.467 0.725 20 0 FCADRP CN1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)C[C@H]21 ZINC000927637116 673872866 /nfs/dbraw/zinc/87/28/66/673872866.db2.gz NLZXJIOKLMSWPQ-BRWVUGGUSA-N 2 0 352.479 0.354 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC000927636187 673873093 /nfs/dbraw/zinc/87/30/93/673873093.db2.gz KQOVSFRWPADDHB-HLLBOEOZSA-N 2 0 354.495 0.336 20 0 FCADRP C[NH+]1CC[C@@H]1CNC(=O)CCC1(CCC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928552510 673919024 /nfs/dbraw/zinc/91/90/24/673919024.db2.gz VGPOMVOMXHLRBK-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001011208734 675376797 /nfs/dbraw/zinc/37/67/97/675376797.db2.gz LSQYEADIZOGJEY-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC001016631042 675403144 /nfs/dbraw/zinc/40/31/44/675403144.db2.gz MBZLNLIKMHLKBI-ARFHVFGLSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)CC[N@@H+]1C ZINC001020274330 675439184 /nfs/dbraw/zinc/43/91/84/675439184.db2.gz TVZMUBLKDQUZEQ-LUKYLMHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCCO)CC3)CC[N@@H+]1C ZINC001045672274 675656804 /nfs/dbraw/zinc/65/68/04/675656804.db2.gz PMVMDCTVJGTPFK-IXDOHACOSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443392 675682620 /nfs/dbraw/zinc/68/26/20/675682620.db2.gz WNLHZVOEALPXTJ-QZTJIDSGSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000900683271 675706974 /nfs/dbraw/zinc/70/69/74/675706974.db2.gz YIDSQHMJWDNLRB-UHFFFAOYSA-N 2 0 354.539 0.972 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000901057688 675747018 /nfs/dbraw/zinc/74/70/18/675747018.db2.gz MFLVASOHBSBNBZ-SFHVURJKSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000901058224 675747403 /nfs/dbraw/zinc/74/74/03/675747403.db2.gz YRRSUKVROCALQX-UHFFFAOYSA-N 2 0 354.539 0.754 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)CC[NH2+]CC1 ZINC000902455254 675852324 /nfs/dbraw/zinc/85/23/24/675852324.db2.gz XLQGHKDMDXFTCB-CQSZACIVSA-N 2 0 361.508 0.323 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075906766 1192181212 /nfs/dbraw/zinc/18/12/12/1192181212.db2.gz YTVXUMMCQQDNAQ-GVDBMIGSSA-N 2 0 363.506 0.419 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000897493937 1192206970 /nfs/dbraw/zinc/20/69/70/1192206970.db2.gz JYCZIALPZZOPEV-DLBZAZTESA-N 2 0 373.501 0.967 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969509262 1167998092 /nfs/dbraw/zinc/99/80/92/1167998092.db2.gz WUOAMZIOMVNJSX-XHSDSOJGSA-N 2 0 366.506 0.033 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC000969512527 1167998161 /nfs/dbraw/zinc/99/81/61/1167998161.db2.gz OFQXAGCNOMRBEC-CVEARBPZSA-N 2 0 366.506 0.033 20 0 FCADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001020612736 1168160679 /nfs/dbraw/zinc/16/06/79/1168160679.db2.gz AHJIOTJGWRRJBS-DZVNLGKHSA-N 2 0 358.486 0.833 20 0 FCADRP COC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000891170777 1169437324 /nfs/dbraw/zinc/43/73/24/1169437324.db2.gz MUWYJJQJLPDSMJ-TVFCKZIOSA-N 2 0 370.538 0.809 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001021636456 1169855984 /nfs/dbraw/zinc/85/59/84/1169855984.db2.gz QBANQAYCUNQRAP-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001021709528 1169910019 /nfs/dbraw/zinc/91/00/19/1169910019.db2.gz CADPDLCVEIUWKU-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001021715091 1169923932 /nfs/dbraw/zinc/92/39/32/1169923932.db2.gz SFUGLNPIKROPII-DOTOQJQBSA-N 2 0 359.474 0.735 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104346792 1170130746 /nfs/dbraw/zinc/13/07/46/1170130746.db2.gz JICOFFJGTYDMIB-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104367601 1170660603 /nfs/dbraw/zinc/66/06/03/1170660603.db2.gz ZTTMNXCVFVBIRO-BZUAXINKSA-N 2 0 361.490 0.608 20 0 FCADRP CC(=O)NCCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691079237 1170731023 /nfs/dbraw/zinc/73/10/23/1170731023.db2.gz JOGMONGVOVGCRB-HYVNUMGLSA-N 2 0 354.495 0.060 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022211974 1170756566 /nfs/dbraw/zinc/75/65/66/1170756566.db2.gz XKIIAVDQTZSRKM-BPQIPLTHSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001691095801 1170801435 /nfs/dbraw/zinc/80/14/35/1170801435.db2.gz LDFANCZYMLVGSC-PNBKFKSVSA-N 2 0 362.474 0.720 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891674409 1170805772 /nfs/dbraw/zinc/80/57/72/1170805772.db2.gz XVKBFACMLHTWBD-FPCVCCKLSA-N 2 0 365.478 0.437 20 0 FCADRP O=C(NCc1ccn2ccnc2c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891682622 1170812188 /nfs/dbraw/zinc/81/21/88/1170812188.db2.gz YJSMKMDCBYHKSM-ZNMIVQPWSA-N 2 0 370.413 0.411 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001691118746 1170828190 /nfs/dbraw/zinc/82/81/90/1170828190.db2.gz RHCWWDBGZBULKW-UKRRQHHQSA-N 2 0 371.503 0.961 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCc2nccn2C)C1)c1nnnn1C ZINC001691240028 1170879450 /nfs/dbraw/zinc/87/94/50/1170879450.db2.gz NPHIIDNHKDZJPQ-HZSPNIEDSA-N 2 0 360.466 0.512 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000891816172 1170886322 /nfs/dbraw/zinc/88/63/22/1170886322.db2.gz QBAFEHXLJDJEGO-UHFFFAOYSA-N 2 0 364.490 0.883 20 0 FCADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000891831004 1170893152 /nfs/dbraw/zinc/89/31/52/1170893152.db2.gz YYJZUQJDLUPGBM-DLBZAZTESA-N 2 0 358.490 0.679 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691263152 1170976701 /nfs/dbraw/zinc/97/67/01/1170976701.db2.gz GKEYTTINKZUIAM-JKSUJKDBSA-N 2 0 365.522 0.664 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001691263653 1170984001 /nfs/dbraw/zinc/98/40/01/1170984001.db2.gz ZYMJRPLHHURTPC-ARFHVFGLSA-N 2 0 363.510 0.799 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001691268221 1171002984 /nfs/dbraw/zinc/00/29/84/1171002984.db2.gz GHYNUGDYJSYYNV-YESZJQIVSA-N 2 0 363.506 0.763 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1OCC ZINC001691328338 1171103465 /nfs/dbraw/zinc/10/34/65/1171103465.db2.gz YGUPFRGSSAPYHM-MWDXBVQZSA-N 2 0 368.522 0.306 20 0 FCADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892266563 1171874753 /nfs/dbraw/zinc/87/47/53/1171874753.db2.gz KDTBGGDECDQQAW-SJORKVTESA-N 2 0 365.522 0.224 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892275611 1171956409 /nfs/dbraw/zinc/95/64/09/1171956409.db2.gz YYFTVEAYABOEET-SJORKVTESA-N 2 0 365.522 0.367 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211557522 1172071040 /nfs/dbraw/zinc/07/10/40/1172071040.db2.gz UQAUVKYDHAQTGL-OTWHNJEPSA-N 2 0 370.497 0.943 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C[C@@H]21 ZINC001272133905 1192560022 /nfs/dbraw/zinc/56/00/22/1192560022.db2.gz CYHBNCUDDZROCE-HOTGVXAUSA-N 2 0 360.462 0.079 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001059969280 1192812672 /nfs/dbraw/zinc/81/26/72/1192812672.db2.gz FFEBRJJMBYOKTP-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000897677391 1192841314 /nfs/dbraw/zinc/84/13/14/1192841314.db2.gz NXNNJTAVGBFRPO-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000897939885 1192852349 /nfs/dbraw/zinc/85/23/49/1192852349.db2.gz ULYJWJUHYDHQCT-CVEARBPZSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000898030001 1192855435 /nfs/dbraw/zinc/85/54/35/1192855435.db2.gz KRONQKPVCOIMEQ-CVEARBPZSA-N 2 0 371.485 0.885 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000898270901 1192864821 /nfs/dbraw/zinc/86/48/21/1192864821.db2.gz YSGQQPPUKIGMQR-IEBWSBKVSA-N 2 0 358.486 0.912 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001691554535 1192874705 /nfs/dbraw/zinc/87/47/05/1192874705.db2.gz LUFSVASBMHFTJL-PMPSAXMXSA-N 2 0 356.486 0.583 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000550636893 1192892177 /nfs/dbraw/zinc/89/21/77/1192892177.db2.gz YLOYQZOOLYBDSD-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087236313 1179058140 /nfs/dbraw/zinc/05/81/40/1179058140.db2.gz QRPJOJDGCCAQIP-ILXRZTDVSA-N 2 0 364.494 0.167 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001023215362 1179229302 /nfs/dbraw/zinc/22/93/02/1179229302.db2.gz XPWCDAKQKWUMNX-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001023377594 1179494007 /nfs/dbraw/zinc/49/40/07/1179494007.db2.gz QVGWMOJLAACGEX-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023380907 1179509008 /nfs/dbraw/zinc/50/90/08/1179509008.db2.gz IWBRLSJBLCLATK-IXDOHACOSA-N 2 0 365.522 0.570 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001211611485 1179896613 /nfs/dbraw/zinc/89/66/13/1179896613.db2.gz WXEYLBQVBLAZRT-GVDBMIGSSA-N 2 0 364.465 0.736 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000127942995 1180035778 /nfs/dbraw/zinc/03/57/78/1180035778.db2.gz KLEKQLFNHBUCOZ-ZBFHGGJFSA-N 2 0 357.462 0.900 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)C1CC1 ZINC000972638378 1180090001 /nfs/dbraw/zinc/09/00/01/1180090001.db2.gz LFBLZLVEFZIGJU-BRWVUGGUSA-N 2 0 362.518 0.870 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023690821 1180111353 /nfs/dbraw/zinc/11/13/53/1180111353.db2.gz WJISEACDBCSUTK-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001023993581 1180730326 /nfs/dbraw/zinc/73/03/26/1180730326.db2.gz JDEIFBQJSIJVPT-OWCLPIDISA-N 2 0 366.485 0.916 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023994016 1180731529 /nfs/dbraw/zinc/73/15/29/1180731529.db2.gz WJIACPSUBNAXIG-QLFBSQMISA-N 2 0 364.494 0.167 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)CC1 ZINC001112518735 1180839123 /nfs/dbraw/zinc/83/91/23/1180839123.db2.gz ZTJFWZNLLVIGES-LPHOPBHVSA-N 2 0 360.506 0.838 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@H]21 ZINC000892519220 1181709719 /nfs/dbraw/zinc/70/97/19/1181709719.db2.gz MZHQRSPSOCXJJK-CRAIPNDOSA-N 2 0 369.473 0.962 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@H]21 ZINC000892519221 1181710099 /nfs/dbraw/zinc/71/00/99/1181710099.db2.gz MZHQRSPSOCXJJK-MAUKXSAKSA-N 2 0 369.473 0.962 20 0 FCADRP COc1ccc(CN2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083273869 1181736634 /nfs/dbraw/zinc/73/66/34/1181736634.db2.gz LQLWGNSJGFICKF-IXDOHACOSA-N 2 0 360.458 0.454 20 0 FCADRP COc1cccc(CN2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083274009 1181741082 /nfs/dbraw/zinc/74/10/82/1181741082.db2.gz RNPKCFKEMNDKMU-BHYGNILZSA-N 2 0 360.458 0.454 20 0 FCADRP CCn1cc(CCN2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083275164 1181779960 /nfs/dbraw/zinc/77/99/60/1181779960.db2.gz REUDCBFOVKETQR-FGTMMUONSA-N 2 0 361.490 0.309 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892602646 1181918813 /nfs/dbraw/zinc/91/88/13/1181918813.db2.gz LRAONZGIJUKFSE-BJWYYQGGSA-N 2 0 363.506 0.467 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104599694 1182267684 /nfs/dbraw/zinc/26/76/84/1182267684.db2.gz XSJQFISMDQPBKP-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001104622194 1182297240 /nfs/dbraw/zinc/29/72/40/1182297240.db2.gz SCOYLMZWVDBNLX-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000892704755 1182383677 /nfs/dbraw/zinc/38/36/77/1182383677.db2.gz NZHQGIGSLIESTN-ROUUACIJSA-N 2 0 373.501 0.824 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000892790200 1182507080 /nfs/dbraw/zinc/50/70/80/1182507080.db2.gz ZJWXKGBOTZYMLH-OKZBNKHCSA-N 2 0 354.458 0.571 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000892933841 1182595647 /nfs/dbraw/zinc/59/56/47/1182595647.db2.gz QSRUPOFKIUKRJO-HZPDHXFCSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794009 1182845700 /nfs/dbraw/zinc/84/57/00/1182845700.db2.gz HYHNONCWCILEMV-HZYJHYJVSA-N 2 0 360.502 0.526 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818270 1182859592 /nfs/dbraw/zinc/85/95/92/1182859592.db2.gz MQUMACDOWNCHKJ-XFMWHNAVSA-N 2 0 365.518 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104908446 1182990584 /nfs/dbraw/zinc/99/05/84/1182990584.db2.gz XHXFWUULVJVMOC-RBSFLKMASA-N 2 0 364.494 0.024 20 0 FCADRP Cc1nn(C)cc1C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908293 1182991311 /nfs/dbraw/zinc/99/13/11/1182991311.db2.gz QJHWMPSPRWKHNO-NVXWUHKLSA-N 2 0 365.522 0.881 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924695 1183000463 /nfs/dbraw/zinc/00/04/63/1183000463.db2.gz QXYCNXKCZOSAIQ-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104966898 1183025990 /nfs/dbraw/zinc/02/59/90/1183025990.db2.gz KBYQKCDUDAFYSW-HZPDHXFCSA-N 2 0 361.490 0.659 20 0 FCADRP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)nn1C ZINC001026514752 1183145547 /nfs/dbraw/zinc/14/55/47/1183145547.db2.gz QSXPOXDHRDYSML-YHOLWWCESA-N 2 0 363.506 0.965 20 0 FCADRP CCn1nncc1C[NH2+]C1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001026514509 1183145761 /nfs/dbraw/zinc/14/57/61/1183145761.db2.gz HLZULEMAWXISBO-ARAOSMHQSA-N 2 0 364.494 0.534 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccccc1 ZINC001267987904 1183286487 /nfs/dbraw/zinc/28/64/87/1183286487.db2.gz ZPZLENAKZPWSRI-JFIYKMOQSA-N 2 0 360.502 0.985 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000974576972 1183347705 /nfs/dbraw/zinc/34/77/05/1183347705.db2.gz PDLYSMPVELXBEX-KBAYOESNSA-N 2 0 362.518 0.729 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523363 1183380515 /nfs/dbraw/zinc/38/05/15/1183380515.db2.gz PCYQIIWNIFHKSQ-HKUYNNGSSA-N 2 0 368.522 0.309 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001026851314 1183411432 /nfs/dbraw/zinc/41/14/32/1183411432.db2.gz CCLYDONVMPUGJF-MGPQQGTHSA-N 2 0 370.448 0.822 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001026853247 1183416888 /nfs/dbraw/zinc/41/68/88/1183416888.db2.gz BMUSILAETICKKI-IJEWVQPXSA-N 2 0 363.458 0.927 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211662104 1183827727 /nfs/dbraw/zinc/82/77/27/1183827727.db2.gz RRACMOIEQUFGPC-RBUKOAKNSA-N 2 0 363.502 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC000975617533 1183946314 /nfs/dbraw/zinc/94/63/14/1183946314.db2.gz UWPZIOODSKMEOU-JQHSSLGASA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717965 1185635109 /nfs/dbraw/zinc/63/51/09/1185635109.db2.gz AZGVSQFGTZBQAG-JZXOWHBKSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000976023902 1185875200 /nfs/dbraw/zinc/87/52/00/1185875200.db2.gz LUUJIDOBMIZVOH-BZSNNMDCSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000979886882 1186136479 /nfs/dbraw/zinc/13/64/79/1186136479.db2.gz QVGVMYJERZUGDN-LUKYLMHMSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000979996819 1186159985 /nfs/dbraw/zinc/15/99/85/1186159985.db2.gz SIDQKEODIUOXNK-BQJWPVKWSA-N 2 0 366.506 0.058 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1C ZINC001058845501 1186245163 /nfs/dbraw/zinc/24/51/63/1186245163.db2.gz PNJQSEOBEBGVPI-YESZJQIVSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001112532377 1186257293 /nfs/dbraw/zinc/25/72/93/1186257293.db2.gz XMKYRCOGWRLXPA-BXWFABGCSA-N 2 0 366.506 0.191 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CCCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776855 1186517572 /nfs/dbraw/zinc/51/75/72/1186517572.db2.gz YVWUJMRYUVGGFI-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC000981776835 1186517774 /nfs/dbraw/zinc/51/77/74/1186517774.db2.gz YAPDNOYKWWXFBM-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CC(=O)NC2CC2)C3)CC[N@@H+]1C ZINC000981778834 1186519512 /nfs/dbraw/zinc/51/95/12/1186519512.db2.gz SPZDVWDACMFGCI-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784981 1186520968 /nfs/dbraw/zinc/52/09/68/1186520968.db2.gz YXSRMPFWORENHF-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613804 1186652288 /nfs/dbraw/zinc/65/22/88/1186652288.db2.gz QFIARVLHBRENNK-RCCFBDPRSA-N 2 0 356.470 0.912 20 0 FCADRP CN1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+](C)CC1 ZINC000888994246 1187461808 /nfs/dbraw/zinc/46/18/08/1187461808.db2.gz ZZHFZVANVUJNFH-IBGZPJMESA-N 2 0 359.518 0.999 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(C(=O)CC3CC3)CC2)CC[N@@H+]1C ZINC001745704545 1187486052 /nfs/dbraw/zinc/48/60/52/1187486052.db2.gz UCCDLGPRYCXVOK-NVXWUHKLSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001745733045 1187493777 /nfs/dbraw/zinc/49/37/77/1187493777.db2.gz JBJJJBNSXLUJAE-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441557 1187494404 /nfs/dbraw/zinc/49/44/04/1187494404.db2.gz NVILMHPHTZWRGD-KBAYOESNSA-N 2 0 358.486 0.788 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[NH+]2CCC(O)CC2)ccn1 ZINC000893913715 1187521194 /nfs/dbraw/zinc/52/11/94/1187521194.db2.gz JEJPFLJTZCKPGV-UHFFFAOYSA-N 2 0 365.478 0.278 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332894385 1187539379 /nfs/dbraw/zinc/53/93/79/1187539379.db2.gz YBDVJKXVMKCVBJ-DLBZAZTESA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001028550909 1187602315 /nfs/dbraw/zinc/60/23/15/1187602315.db2.gz URJRZAZKGNUVNJ-HLLBOEOZSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000982994247 1187809592 /nfs/dbraw/zinc/80/95/92/1187809592.db2.gz ZTRXNIVXNNRRMW-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001270118726 1188019983 /nfs/dbraw/zinc/01/99/83/1188019983.db2.gz LLQQNXBZXIBPCC-KRWDZBQOSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)NCCn3ccnc3)CC2)C1 ZINC001270491730 1188172968 /nfs/dbraw/zinc/17/29/68/1188172968.db2.gz XDMMVMRRIZJTLQ-HZPDHXFCSA-N 2 0 359.474 0.580 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1 ZINC001280246456 1188197359 /nfs/dbraw/zinc/19/73/59/1188197359.db2.gz ZCIIMKUIGDPBOW-FQEVSTJZSA-N 3 0 367.582 0.352 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001029101897 1188271479 /nfs/dbraw/zinc/27/14/79/1188271479.db2.gz QIHJUWKOQQFOGZ-VNQPRFMTSA-N 2 0 363.510 0.657 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000550355844 1188342570 /nfs/dbraw/zinc/34/25/70/1188342570.db2.gz JCRITHBBQAELDQ-RDJZCZTQSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000550409938 1188355933 /nfs/dbraw/zinc/35/59/33/1188355933.db2.gz GNQRDDROUQLPHJ-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409826 1188356894 /nfs/dbraw/zinc/35/68/94/1188356894.db2.gz BNVXEIMUMZXYQW-OALUTQOASA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)n1 ZINC001075804006 1189392996 /nfs/dbraw/zinc/39/29/96/1189392996.db2.gz PGFIUMCVWLLKEO-FUHWJXTLSA-N 2 0 371.489 0.488 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CC[NH+]1CCCC1)C2 ZINC001271060990 1189544400 /nfs/dbraw/zinc/54/44/00/1189544400.db2.gz DMXKGCFZKMRPEM-IBGZPJMESA-N 2 0 366.506 0.111 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087578644 1189619054 /nfs/dbraw/zinc/61/90/54/1189619054.db2.gz HHDRRCYSEOQVQV-MWDXBVQZSA-N 2 0 365.522 0.711 20 0 FCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000550518752 1189810629 /nfs/dbraw/zinc/81/06/29/1189810629.db2.gz IMCRDFZELHDHNV-KRWDZBQOSA-N 2 0 371.485 0.515 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087799441 1189829128 /nfs/dbraw/zinc/82/91/28/1189829128.db2.gz VDNCHOBTUUNGCQ-DLBZAZTESA-N 2 0 360.506 0.960 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CC(=O)Nc1cnccn1 ZINC001087828270 1189841324 /nfs/dbraw/zinc/84/13/24/1189841324.db2.gz FTQGGEORSXNXLX-SOUVJXGZSA-N 2 0 360.462 0.336 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895851932 1189888049 /nfs/dbraw/zinc/88/80/49/1189888049.db2.gz ZVHGOCDERJUIFW-FGTMMUONSA-N 2 0 366.506 0.480 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971957 1190031670 /nfs/dbraw/zinc/03/16/70/1190031670.db2.gz BZLAILLJLGUYQL-VSZNYVQBSA-N 2 0 362.518 0.729 20 0 FCADRP CCn1ncc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971843 1190031704 /nfs/dbraw/zinc/03/17/04/1190031704.db2.gz WOJMVKLDTKIUBR-XLMAVXFVSA-N 2 0 360.506 0.919 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971989 1190032772 /nfs/dbraw/zinc/03/27/72/1190032772.db2.gz DOBJIITUDCBINH-MXSMSXNCSA-N 2 0 362.518 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985777 1190107552 /nfs/dbraw/zinc/10/75/52/1190107552.db2.gz DDIAZOCNRPXIQF-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993196 1190143701 /nfs/dbraw/zinc/14/37/01/1190143701.db2.gz DUOKUZNZDDVOCN-AOIWGVFYSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1ncc(CN2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)n1 ZINC001088026254 1190261323 /nfs/dbraw/zinc/26/13/23/1190261323.db2.gz ZLLRDTULBSMZAP-CVEARBPZSA-N 2 0 358.490 0.724 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001271216711 1190361487 /nfs/dbraw/zinc/36/14/87/1190361487.db2.gz DPRCDJQSHLGHDP-QGZVFWFLSA-N 2 0 362.518 0.777 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090317 1190538019 /nfs/dbraw/zinc/53/80/19/1190538019.db2.gz HNJUWBOQRCOTEE-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088091728 1190545975 /nfs/dbraw/zinc/54/59/75/1190545975.db2.gz XZQYKTVEZCDHDS-UAGQMJEPSA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)cc1 ZINC001088107383 1190595046 /nfs/dbraw/zinc/59/50/46/1190595046.db2.gz VHUURTGSINKZHH-MSOLQXFVSA-N 2 0 358.486 0.670 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNC(=O)Cn3ccnc3)C2)CC[N@@H+]1C ZINC001059734649 1191071307 /nfs/dbraw/zinc/07/13/07/1191071307.db2.gz YOXPCEOMOTWSNG-IXDOHACOSA-N 2 0 361.490 0.968 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088572115 1191207732 /nfs/dbraw/zinc/20/77/32/1191207732.db2.gz YEURYSLRUTZCAN-JLSDUUJJSA-N 2 0 358.486 0.806 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nc(C)[nH]c4C3)[C@H]2C1 ZINC001218196696 1224146832 /nfs/dbraw/zinc/14/68/32/1224146832.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 0 362.474 0.771 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)C1 ZINC001218510228 1224164871 /nfs/dbraw/zinc/16/48/71/1224164871.db2.gz PDLDETRBHKXHDJ-OKZBNKHCSA-N 2 0 369.506 0.029 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCc3nccn3C)C2)C1=O ZINC001691609162 1193799885 /nfs/dbraw/zinc/79/98/85/1193799885.db2.gz AYBUZUMLJGIUPJ-XHSDSOJGSA-N 2 0 361.490 0.848 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533231 1224168836 /nfs/dbraw/zinc/16/88/36/1224168836.db2.gz LLHZENCQQGVXGZ-OLZOCXBDSA-N 2 0 373.482 0.584 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000550901432 1193819586 /nfs/dbraw/zinc/81/95/86/1193819586.db2.gz HTVKGXUIDQZOTL-RDJZCZTQSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551122010 1193834969 /nfs/dbraw/zinc/83/49/69/1193834969.db2.gz MGJXDUJFJYCHMO-IKGGRYGDSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218550605 1224171419 /nfs/dbraw/zinc/17/14/19/1224171419.db2.gz GNTLEQILLBBXLL-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636737 1193843551 /nfs/dbraw/zinc/84/35/51/1193843551.db2.gz CFLDHIJPSFUMDF-YWTNHNAXSA-N 2 0 367.534 0.819 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105658365 1193861839 /nfs/dbraw/zinc/86/18/39/1193861839.db2.gz GMLVCUAGJHPVSM-FTEYMNFISA-N 2 0 367.534 0.677 20 0 FCADRP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218563129 1224174547 /nfs/dbraw/zinc/17/45/47/1224174547.db2.gz LGBLKWFMECSPIQ-BBRMVZONSA-N 3 0 362.478 0.533 20 0 FCADRP Nc1cccc(-c2cccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)n2)n1 ZINC001218562519 1224174573 /nfs/dbraw/zinc/17/45/73/1224174573.db2.gz UUHCNXHDWJZYMA-CYBMUJFWSA-N 2 0 355.446 0.415 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105667312 1193930553 /nfs/dbraw/zinc/93/05/53/1193930553.db2.gz QIWWYKBDJBOOEE-OHDICMOHSA-N 2 0 368.522 0.040 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552750412 1193950257 /nfs/dbraw/zinc/95/02/57/1193950257.db2.gz XHFSBEGBOOSXAO-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]21 ZINC001218600505 1224180361 /nfs/dbraw/zinc/18/03/61/1224180361.db2.gz LCYKZDIFIBGGCG-YESZJQIVSA-N 2 0 364.490 0.003 20 0 FCADRP COC(=O)c1c[nH]c2ncc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc12 ZINC001218613799 1224182314 /nfs/dbraw/zinc/18/23/14/1224182314.db2.gz RSKWJTJATYFIRP-CQSZACIVSA-N 2 0 360.418 0.038 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CC3)NC(=O)NC4=O)cn2)CC1 ZINC000553238514 1193980330 /nfs/dbraw/zinc/98/03/30/1193980330.db2.gz NGXRNYXFIPHCOP-UHFFFAOYSA-N 2 0 372.473 0.444 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000553269889 1193982841 /nfs/dbraw/zinc/98/28/41/1193982841.db2.gz QSCHKCDOYJKOEX-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641419 1224187793 /nfs/dbraw/zinc/18/77/93/1224187793.db2.gz RGTCXABVJQXAIY-MRXNPFEDSA-N 2 0 354.458 0.830 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000898665608 1194059464 /nfs/dbraw/zinc/05/94/64/1194059464.db2.gz KFLTXMYAMLWUOR-FQEVSTJZSA-N 2 0 373.497 0.980 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191499 1194086061 /nfs/dbraw/zinc/08/60/61/1194086061.db2.gz YUJTXLMZEPNEAC-JXFKEZNVSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218669619 1224193665 /nfs/dbraw/zinc/19/36/65/1224193665.db2.gz USFKULIRMNUJJD-MRXNPFEDSA-N 2 0 362.478 0.028 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001083523455 1194146081 /nfs/dbraw/zinc/14/60/81/1194146081.db2.gz FAMNMCIHOOFAJY-QRVBRYPASA-N 2 0 365.518 0.981 20 0 FCADRP Cc1c(C(=O)NCC[N@H+](C)CCO)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000899733374 1194195891 /nfs/dbraw/zinc/19/58/91/1194195891.db2.gz BAIZTFBNLCRRQH-UHFFFAOYSA-N 2 0 372.473 0.218 20 0 FCADRP Nc1cn(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708768 1224201121 /nfs/dbraw/zinc/20/11/21/1224201121.db2.gz HJIMNNSOVUKYGK-KRWDZBQOSA-N 2 0 372.448 0.746 20 0 FCADRP CC(=O)[C@H](C)N1C(=O)C[C@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794352 1224208858 /nfs/dbraw/zinc/20/88/58/1224208858.db2.gz HRIHURKQSISFCJ-OHNRDTAOSA-N 2 0 367.490 0.554 20 0 FCADRP CC(C)Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218747294 1224212170 /nfs/dbraw/zinc/21/21/70/1224212170.db2.gz BZULBVSCIBKNEI-GJZGRUSLSA-N 2 0 364.494 0.925 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)cn1 ZINC001076349673 1194411720 /nfs/dbraw/zinc/41/17/20/1194411720.db2.gz PCWOVFARALYYEQ-XYJFISCASA-N 2 0 361.490 0.628 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1=O ZINC001076467975 1194502843 /nfs/dbraw/zinc/50/28/43/1194502843.db2.gz XYJUTAYDVTZXHL-DLBZAZTESA-N 2 0 356.470 0.514 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569228 1194574929 /nfs/dbraw/zinc/57/49/29/1194574929.db2.gz OHOAUMBKMJDFPV-RCCFBDPRSA-N 2 0 356.470 0.770 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(CCCc3nc(C)no3)C[C@@H]21 ZINC001218813813 1224228430 /nfs/dbraw/zinc/22/84/30/1224228430.db2.gz FCVFTWWLRCFWGP-JKSUJKDBSA-N 2 0 365.478 0.564 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1ncn2c1C[NH2+]CC2 ZINC001218882115 1224247639 /nfs/dbraw/zinc/24/76/39/1224247639.db2.gz HQYBMLLRPZLHHB-UHFFFAOYSA-N 2 0 354.414 0.284 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)cc2F)CC1 ZINC001218890461 1224248666 /nfs/dbraw/zinc/24/86/66/1224248666.db2.gz QMXKOQVFVWALSM-RRQGHBQHSA-N 2 0 361.465 0.856 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001076745486 1194976750 /nfs/dbraw/zinc/97/67/50/1194976750.db2.gz HPNRSEKZELIKRY-ZMSDIMECSA-N 2 0 368.522 0.448 20 0 FCADRP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007196 1195140967 /nfs/dbraw/zinc/14/09/67/1195140967.db2.gz CTONWBQLNSOTIA-GUDVDZBRSA-N 2 0 359.470 0.182 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001077023822 1195160161 /nfs/dbraw/zinc/16/01/61/1195160161.db2.gz USFPEIKNYBIZPP-KLICCBINSA-N 2 0 360.502 0.754 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127669 1195241724 /nfs/dbraw/zinc/24/17/24/1195241724.db2.gz DUKOTVTWUUCHKB-RCCFBDPRSA-N 2 0 363.506 0.102 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077128814 1195244671 /nfs/dbraw/zinc/24/46/71/1195244671.db2.gz GFGTVILLFWBFHM-CEXWTWQISA-N 2 0 365.518 0.981 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965232 1224273882 /nfs/dbraw/zinc/27/38/82/1224273882.db2.gz HYRNBSWYJRHCOW-HRCADAONSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CCOCC3CCC3)C[C@@H]21 ZINC001218970340 1224274773 /nfs/dbraw/zinc/27/47/73/1224274773.db2.gz GXRHNAKSRUZEFG-ZWKOTPCHSA-N 2 0 369.506 0.293 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077311991 1195414246 /nfs/dbraw/zinc/41/42/46/1195414246.db2.gz IJJAJYBJGLTTAJ-QZTJIDSGSA-N 2 0 358.442 0.926 20 0 FCADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218994773 1224281613 /nfs/dbraw/zinc/28/16/13/1224281613.db2.gz LHUMNTGFVFLQNU-GOEBONIOSA-N 2 0 367.457 0.640 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001077396147 1195494752 /nfs/dbraw/zinc/49/47/52/1195494752.db2.gz QJCAGTVBWIRKQO-BRWVUGGUSA-N 2 0 358.442 0.924 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418134 1195518181 /nfs/dbraw/zinc/51/81/81/1195518181.db2.gz KCYXZAAGZJYHEF-MBTARNRYSA-N 2 0 371.481 0.520 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]21 ZINC001219004985 1224287148 /nfs/dbraw/zinc/28/71/48/1224287148.db2.gz YUNIGSQHOLQBDH-ZWKOTPCHSA-N 2 0 363.506 0.606 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905154452 1195575868 /nfs/dbraw/zinc/57/58/68/1195575868.db2.gz PPBOJLDKRQWQMD-APWZRJJASA-N 2 0 371.522 0.105 20 0 FCADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC000905147309 1195577649 /nfs/dbraw/zinc/57/76/49/1195577649.db2.gz UWTNNPOZJCSVQM-PMACEKPBSA-N 2 0 364.486 0.635 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219016969 1224294152 /nfs/dbraw/zinc/29/41/52/1224294152.db2.gz REDYHVKZPFJBKW-KRWDZBQOSA-N 2 0 355.442 0.526 20 0 FCADRP COc1cc(OC)nc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000906656452 1195642646 /nfs/dbraw/zinc/64/26/46/1195642646.db2.gz SAHDBUCMOPIGFK-AWEZNQCLSA-N 2 0 363.462 0.734 20 0 FCADRP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607450 1195685632 /nfs/dbraw/zinc/68/56/32/1195685632.db2.gz YUYPILWKEOADCP-ZACQAIPSSA-N 2 0 358.442 0.924 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000910962824 1195869297 /nfs/dbraw/zinc/86/92/97/1195869297.db2.gz NFCQFZPPHRSTKC-RCCFBDPRSA-N 2 0 358.486 0.343 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911023836 1195876189 /nfs/dbraw/zinc/87/61/89/1195876189.db2.gz XPIVVQDGKYEDSO-QZTJIDSGSA-N 2 0 358.486 0.966 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000911007918 1195877774 /nfs/dbraw/zinc/87/77/74/1195877774.db2.gz LDRRHLLSMZDNTG-UHFFFAOYSA-N 2 0 360.458 0.385 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000911100375 1195889276 /nfs/dbraw/zinc/88/92/76/1195889276.db2.gz FESGJHBFAKHRGC-GJZGRUSLSA-N 2 0 374.485 0.520 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911101241 1195889646 /nfs/dbraw/zinc/88/96/46/1195889646.db2.gz IVEYDBZWMVCVCI-HOCLYGCPSA-N 2 0 359.474 0.673 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000911163370 1195900866 /nfs/dbraw/zinc/90/08/66/1195900866.db2.gz XDKJFDKSGPTLLN-INIZCTEOSA-N 2 0 358.486 0.748 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911194480 1195907816 /nfs/dbraw/zinc/90/78/16/1195907816.db2.gz OBSBFFZGVSADJW-BPQIPLTHSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911194481 1195908195 /nfs/dbraw/zinc/90/81/95/1195908195.db2.gz OBSBFFZGVSADJW-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1[NH3+] ZINC000911206159 1195913959 /nfs/dbraw/zinc/91/39/59/1195913959.db2.gz PSQOUUALXGVMFG-RDTXWAMCSA-N 2 0 374.485 0.065 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000911216769 1195916666 /nfs/dbraw/zinc/91/66/66/1195916666.db2.gz URXVEGAHHAZJLA-XYVMCAHJSA-N 2 0 358.486 0.961 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258024 1195927587 /nfs/dbraw/zinc/92/75/87/1195927587.db2.gz LRAAYDDRNLOWOZ-IXDOHACOSA-N 2 0 358.486 0.964 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001219054671 1224325298 /nfs/dbraw/zinc/32/52/98/1224325298.db2.gz JDYWMVWTXKZEOE-OKZBNKHCSA-N 2 0 369.506 0.434 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001077444404 1196411425 /nfs/dbraw/zinc/41/14/25/1196411425.db2.gz WMUOVTUTEDXEGZ-QXAKKESOSA-N 2 0 363.502 0.991 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)c21 ZINC000592549101 1196566114 /nfs/dbraw/zinc/56/61/14/1196566114.db2.gz RLYAPAVHWJNJIQ-AAEUAGOBSA-N 2 0 374.411 0.285 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000592964543 1196596934 /nfs/dbraw/zinc/59/69/34/1196596934.db2.gz RHFIGBPGPAWEJA-IRXDYDNUSA-N 2 0 360.458 0.657 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592958973 1196600635 /nfs/dbraw/zinc/60/06/35/1196600635.db2.gz BKKRSBLKTAYEME-HOCLYGCPSA-N 2 0 363.506 0.884 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592959828 1196602089 /nfs/dbraw/zinc/60/20/89/1196602089.db2.gz WSIIURMQLWGWCU-UONOGXRCSA-N 2 0 362.478 0.036 20 0 FCADRP COC(=O)c1c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccc2c1OC[C@H]1C[C@@H]21 ZINC001219217629 1224390699 /nfs/dbraw/zinc/39/06/99/1224390699.db2.gz NMJZHEXMKBEBSM-RTXFEEFZSA-N 2 0 357.410 0.717 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236490 1224396121 /nfs/dbraw/zinc/39/61/21/1224396121.db2.gz VGASJMFBWHAIIG-QAPCUYQASA-N 3 0 360.506 0.303 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106143024 1197296032 /nfs/dbraw/zinc/29/60/32/1197296032.db2.gz KRBFQBJULSATCP-SZVBFZGTSA-N 2 0 359.518 0.989 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219293772 1224418165 /nfs/dbraw/zinc/41/81/65/1224418165.db2.gz PFPKXTSLPLRWJG-CJNGLKHVSA-N 2 0 364.421 0.843 20 0 FCADRP CC1(C)c2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc2CNC1=O ZINC001219336725 1224432261 /nfs/dbraw/zinc/43/22/61/1224432261.db2.gz QCHUEKJZQRJNKT-MRXNPFEDSA-N 2 0 359.474 0.283 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001085260477 1197760878 /nfs/dbraw/zinc/76/08/78/1197760878.db2.gz OYNQSPULIKZOLP-BZUAXINKSA-N 2 0 369.425 0.770 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106272187 1197811987 /nfs/dbraw/zinc/81/19/87/1197811987.db2.gz UCUTVFYDVBEQPS-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)n1C ZINC001085394806 1197863129 /nfs/dbraw/zinc/86/31/29/1197863129.db2.gz FTFKSOBECBPHPJ-HUUCEWRRSA-N 2 0 360.506 0.990 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085394611 1197863431 /nfs/dbraw/zinc/86/34/31/1197863431.db2.gz UFMXUSVABJWFKP-ARFHVFGLSA-N 2 0 364.490 0.494 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106316267 1197863467 /nfs/dbraw/zinc/86/34/67/1197863467.db2.gz MLWUBQAIJNCLLT-BZUAXINKSA-N 2 0 368.522 0.293 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C)C(N)=O ZINC001106347178 1197871075 /nfs/dbraw/zinc/87/10/75/1197871075.db2.gz NYVVFITYFXLSCW-BFYDXBDKSA-N 2 0 361.490 0.856 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855484 1197893879 /nfs/dbraw/zinc/89/38/79/1197893879.db2.gz FKBSZSNNNJARLH-GGPKGHCWSA-N 2 0 359.470 0.603 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085432771 1197899343 /nfs/dbraw/zinc/89/93/43/1197899343.db2.gz PFWXLQIECDHCMR-ZACQAIPSSA-N 2 0 365.522 0.903 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1C[NH+]1CCCCC1)C2=O ZINC000738096309 1197990194 /nfs/dbraw/zinc/99/01/94/1197990194.db2.gz IGAGQYXCHKMDKM-MRXNPFEDSA-N 2 0 363.506 0.910 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106621447 1198037918 /nfs/dbraw/zinc/03/79/18/1198037918.db2.gz LMZKVZJDVQISEV-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000741805337 1198127646 /nfs/dbraw/zinc/12/76/46/1198127646.db2.gz GIPXNYYCWFQYIZ-GOSISDBHSA-N 2 0 368.566 0.859 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@H+](CCO)C[C@H]3CCOC3)CC2)O1 ZINC001098404232 1198130751 /nfs/dbraw/zinc/13/07/51/1198130751.db2.gz JBDFNPYXPHKZCK-JFIYKMOQSA-N 2 0 369.506 0.027 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC001086090479 1198153728 /nfs/dbraw/zinc/15/37/28/1198153728.db2.gz AZKDPSMFKCVULE-XHHISWJOSA-N 2 0 362.518 0.964 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]1(C)CC[NH2+]C[C@H]1O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501392 1224489000 /nfs/dbraw/zinc/48/90/00/1224489000.db2.gz VGQBQAOCARHFIG-ATZDWAIDSA-N 2 0 374.441 0.177 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13C[NH2+]C[C@H]1COC3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500463 1224488899 /nfs/dbraw/zinc/48/88/99/1224488899.db2.gz BMWBHBZVXDWECR-BKOMCJNNSA-N 2 0 372.425 0.053 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537847 1224502520 /nfs/dbraw/zinc/50/25/20/1224502520.db2.gz QQIRNHFDLNXKFA-JKIFEVAISA-N 2 0 366.421 0.742 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)COC1(C)C ZINC001219539793 1224502831 /nfs/dbraw/zinc/50/28/31/1224502831.db2.gz AUHRWNKFZNOESO-WJNVRWDZSA-N 2 0 374.441 0.384 20 0 FCADRP [NH3+]Cc1nnnn1-c1cc(N2CCC[C@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001168921093 1199039579 /nfs/dbraw/zinc/03/95/79/1199039579.db2.gz RFWHEZUBCPDJOZ-LBPRGKRZSA-N 2 0 367.417 0.631 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169137558 1199047800 /nfs/dbraw/zinc/04/78/00/1199047800.db2.gz CSQJJZAVOWKEGD-PIIMJCKOSA-N 2 0 372.513 0.962 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134634 1199048812 /nfs/dbraw/zinc/04/88/12/1199048812.db2.gz WASGXXKIXLCEII-CABLIKTCSA-N 2 0 363.502 0.807 20 0 FCADRP CC(=O)N1CC[C@H](N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)C1 ZINC001169548763 1199071788 /nfs/dbraw/zinc/07/17/88/1199071788.db2.gz HQEIZCOWHPIXRD-KRWDZBQOSA-N 2 0 361.490 0.910 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219613093 1224528932 /nfs/dbraw/zinc/52/89/32/1224528932.db2.gz IYAQAPAZZUUWCQ-DVOMOZLQSA-N 2 0 368.359 0.510 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619413 1224531182 /nfs/dbraw/zinc/53/11/82/1224531182.db2.gz HLPFEMUPMGITBT-YRBFXIGRSA-N 2 0 374.501 0.069 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638953 1224541902 /nfs/dbraw/zinc/54/19/02/1224541902.db2.gz SLHNDWSCWDYMAS-HUBLWGQQSA-N 2 0 363.389 0.575 20 0 FCADRP O=C(C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)NCCC1(O)C[NH2+]C1 ZINC001219697342 1224564033 /nfs/dbraw/zinc/56/40/33/1224564033.db2.gz SWSQEQNMFFKSQI-HNNXBMFYSA-N 2 0 359.470 0.906 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726994 1224579346 /nfs/dbraw/zinc/57/93/46/1224579346.db2.gz UBRFHTZMBOBELF-ROUUACIJSA-N 3 0 359.518 0.281 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737180 1224586169 /nfs/dbraw/zinc/58/61/69/1224586169.db2.gz QFGUMKGKCZZQNY-QZTJIDSGSA-N 2 0 358.486 0.345 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)N2CCC([NH3+])CC2)cc1 ZINC001219739706 1224587060 /nfs/dbraw/zinc/58/70/60/1224587060.db2.gz VQLFROLRCMAXAM-MOPGFXCFSA-N 2 0 372.513 0.954 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219750833 1224595481 /nfs/dbraw/zinc/59/54/81/1224595481.db2.gz IKJRAGZAEXSSIQ-UHFFFAOYSA-N 2 0 369.473 0.107 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001109419483 1200257797 /nfs/dbraw/zinc/25/77/97/1200257797.db2.gz RUMNGCUUCIVIDC-NCOADZHNSA-N 2 0 363.506 0.608 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219765288 1224601258 /nfs/dbraw/zinc/60/12/58/1224601258.db2.gz YNOJBLZQPQTRQL-JTDSTZFVSA-N 2 0 370.497 0.479 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219765903 1224602670 /nfs/dbraw/zinc/60/26/70/1224602670.db2.gz HAUTUJJDYAQGES-IGGJEDBVSA-N 2 0 369.513 0.122 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109464425 1200304831 /nfs/dbraw/zinc/30/48/31/1200304831.db2.gz ZWZKTDMZWULQSO-IKGGRYGDSA-N 2 0 368.522 0.591 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469650 1200310967 /nfs/dbraw/zinc/31/09/67/1200310967.db2.gz BXCWYULNJBLUQI-BDXSIMOUSA-N 2 0 362.474 0.637 20 0 FCADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219791984 1224614402 /nfs/dbraw/zinc/61/44/02/1224614402.db2.gz XTMAGJQIDDIJAO-QFBILLFUSA-N 2 0 359.518 0.788 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794543 1224615678 /nfs/dbraw/zinc/61/56/78/1224615678.db2.gz DHTRCHQAFBZGTQ-SQNIBIBYSA-N 2 0 369.506 0.218 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219796169 1224616515 /nfs/dbraw/zinc/61/65/15/1224616515.db2.gz OYMJTYXZDQREIH-APWZRJJASA-N 3 0 363.550 0.393 20 0 FCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109847705 1200559285 /nfs/dbraw/zinc/55/92/85/1200559285.db2.gz CTNOPZVTVSGBQY-QZWWFDLISA-N 2 0 374.489 0.209 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799712 1224618813 /nfs/dbraw/zinc/61/88/13/1224618813.db2.gz BBRBJMBRBXDGDO-IAGOWNOFSA-N 2 0 360.502 0.767 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800185 1224620087 /nfs/dbraw/zinc/62/00/87/1224620087.db2.gz HMXNWFBYUOCRGF-RTBURBONSA-N 2 0 372.513 0.735 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219799859 1224620371 /nfs/dbraw/zinc/62/03/71/1224620371.db2.gz FCXUYBKHVXKUOG-DOTOQJQBSA-N 2 0 362.474 0.501 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801111 1224621732 /nfs/dbraw/zinc/62/17/32/1224621732.db2.gz SPXGDXHLFAGEPE-DOTOQJQBSA-N 2 0 370.453 0.434 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219800580 1224621791 /nfs/dbraw/zinc/62/17/91/1224621791.db2.gz KNDPJMPAMRACIZ-YJBOKZPZSA-N 2 0 371.481 0.954 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219804213 1224624517 /nfs/dbraw/zinc/62/45/17/1224624517.db2.gz PQINDGYUNDIZOQ-CEXWTWQISA-N 2 0 361.486 0.705 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001110019236 1200709400 /nfs/dbraw/zinc/70/94/00/1200709400.db2.gz MFQYZZHDMCFRMM-BDXSIMOUSA-N 2 0 363.506 0.697 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112548694 1200774567 /nfs/dbraw/zinc/77/45/67/1200774567.db2.gz MGGJUTWLMRUODT-DEYYWGMASA-N 2 0 367.494 0.130 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219814704 1224630947 /nfs/dbraw/zinc/63/09/47/1224630947.db2.gz JPWYYBIQPNFEMN-JXFKEZNVSA-N 2 0 369.469 0.315 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001112552692 1200779985 /nfs/dbraw/zinc/77/99/85/1200779985.db2.gz KQNQHUPDKHEPHX-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncccn2)C1 ZINC001112564007 1200800530 /nfs/dbraw/zinc/80/05/30/1200800530.db2.gz YTGYXORBIJFOPS-LPHOPBHVSA-N 2 0 361.490 0.773 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)COC1(C)C ZINC001219818624 1224634330 /nfs/dbraw/zinc/63/43/30/1224634330.db2.gz HEJGJAUBGFXXGL-UKMLZYKCSA-N 2 0 360.458 0.517 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109269 1200863193 /nfs/dbraw/zinc/86/31/93/1200863193.db2.gz RDFKFQBRYRXYJV-QGZVFWFLSA-N 2 0 366.506 0.299 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787132438 1200867330 /nfs/dbraw/zinc/86/73/30/1200867330.db2.gz YXXOGVGEONCIOX-NVXWUHKLSA-N 2 0 364.490 0.099 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829831 1224640900 /nfs/dbraw/zinc/64/09/00/1224640900.db2.gz FZJDFDYSDAYHBE-QRVBRYPASA-N 2 0 361.486 0.715 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000788460780 1200961500 /nfs/dbraw/zinc/96/15/00/1200961500.db2.gz PZJJKIHRBQMURI-ROUUACIJSA-N 2 0 374.485 0.344 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219833879 1224644837 /nfs/dbraw/zinc/64/48/37/1224644837.db2.gz LLYJKWKNVFTWHB-NXHRZFHOSA-N 2 0 369.469 0.456 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219833398 1224645142 /nfs/dbraw/zinc/64/51/42/1224645142.db2.gz CQUIYMLVSHJNBQ-LBKNJMOBSA-N 2 0 359.470 0.849 20 0 FCADRP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000790273232 1201064978 /nfs/dbraw/zinc/06/49/78/1201064978.db2.gz CRKGYZBQSSBUTR-PMPSAXMXSA-N 2 0 359.474 0.869 20 0 FCADRP C[C@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1CC(C)(C)O ZINC000790385945 1201070930 /nfs/dbraw/zinc/07/09/30/1201070930.db2.gz OMOIXEBICZAUDV-HNAYVOBHSA-N 2 0 366.506 0.638 20 0 FCADRP NC1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC001219848467 1224653040 /nfs/dbraw/zinc/65/30/40/1224653040.db2.gz YYKVBTZUNALXRU-OKZBNKHCSA-N 2 0 358.486 0.616 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219848091 1224653170 /nfs/dbraw/zinc/65/31/70/1224653170.db2.gz WHPQQBKPXMJHLV-YWZLYKJASA-N 2 0 359.470 0.500 20 0 FCADRP NC(=O)C1(O)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001170229911 1201203539 /nfs/dbraw/zinc/20/35/39/1201203539.db2.gz BOLRBSMDMUTDRF-UHFFFAOYSA-N 2 0 374.485 0.211 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)NC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114304776 1201294216 /nfs/dbraw/zinc/29/42/16/1201294216.db2.gz YLSPMLQJUNYVSY-FIDHJVLJSA-N 2 0 365.522 0.471 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407920 1201299328 /nfs/dbraw/zinc/29/93/28/1201299328.db2.gz XXBBCAIXWTTXBY-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453510 1201311073 /nfs/dbraw/zinc/31/10/73/1201311073.db2.gz AVJGMNIIRBMKSG-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001219877795 1224667884 /nfs/dbraw/zinc/66/78/84/1224667884.db2.gz QZYWCEGVWXSNEX-ZACQAIPSSA-N 2 0 369.506 0.075 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129845667 1201404364 /nfs/dbraw/zinc/40/43/64/1201404364.db2.gz RUSKOUCIQJXEQC-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1n1ccnn1 ZINC001129910584 1201423304 /nfs/dbraw/zinc/42/33/04/1201423304.db2.gz ZNJVOIBQDOXUNL-CVEARBPZSA-N 2 0 362.478 0.142 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129925233 1201444380 /nfs/dbraw/zinc/44/43/80/1201444380.db2.gz VAXHPVYHSYKOGA-CVEARBPZSA-N 2 0 355.402 0.228 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901534 1224674680 /nfs/dbraw/zinc/67/46/80/1224674680.db2.gz LNCLKHUHJOOHLB-CQSZACIVSA-N 2 0 362.409 0.038 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012140 1201471182 /nfs/dbraw/zinc/47/11/82/1201471182.db2.gz QVCKVRIZIZEYMC-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992303 1201471289 /nfs/dbraw/zinc/47/12/89/1201471289.db2.gz XUXUQKQEVGZOHQ-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130006143 1201476521 /nfs/dbraw/zinc/47/65/21/1201476521.db2.gz VEUWQXLIYHXIRV-IKGGRYGDSA-N 2 0 366.510 0.777 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130009274 1201477780 /nfs/dbraw/zinc/47/77/80/1201477780.db2.gz GLGZJSZUQLRCTC-IKGGRYGDSA-N 2 0 366.510 0.777 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054394 1201483380 /nfs/dbraw/zinc/48/33/80/1201483380.db2.gz AWJIGGGKESWJBG-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047772 1201486370 /nfs/dbraw/zinc/48/63/70/1201486370.db2.gz SGVQPXDYIFFZDE-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086269 1201494103 /nfs/dbraw/zinc/49/41/03/1201494103.db2.gz SWIOPNGDXOUVKM-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130125654 1201506969 /nfs/dbraw/zinc/50/69/69/1201506969.db2.gz YYVGQUBBGDCWOV-SJORKVTESA-N 2 0 362.478 0.285 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910703 1224678164 /nfs/dbraw/zinc/67/81/64/1224678164.db2.gz PDMGUNYOCLQQJK-JQHSSLGASA-N 2 0 362.474 0.496 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130136972 1201514216 /nfs/dbraw/zinc/51/42/16/1201514216.db2.gz BVHVVIQJJBJGGM-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139801 1201514982 /nfs/dbraw/zinc/51/49/82/1201514982.db2.gz IFVDCIMXIFOYIV-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130148203 1201520411 /nfs/dbraw/zinc/52/04/11/1201520411.db2.gz KDMIMRGPYNHCAB-BBWFWOEESA-N 2 0 364.494 0.267 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919640 1224680387 /nfs/dbraw/zinc/68/03/87/1224680387.db2.gz HAWDEUVXWYJERL-KSZLIROESA-N 2 0 362.474 0.638 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001130215699 1201546295 /nfs/dbraw/zinc/54/62/95/1201546295.db2.gz CFVWNTWWNYPOME-DZKIICNBSA-N 2 0 366.510 0.879 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001130221114 1201550718 /nfs/dbraw/zinc/55/07/18/1201550718.db2.gz VLECJPKLYAVVJZ-KBPBESRZSA-N 2 0 364.494 0.777 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001130221074 1201550886 /nfs/dbraw/zinc/55/08/86/1201550886.db2.gz SKVZASWCTORFRQ-KBPBESRZSA-N 2 0 364.494 0.776 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001130237869 1201559864 /nfs/dbraw/zinc/55/98/64/1201559864.db2.gz HITSRUSCWISRCH-KKUMJFAQSA-N 2 0 364.494 0.776 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130247237 1201567879 /nfs/dbraw/zinc/56/78/79/1201567879.db2.gz ZRUHOFSSBJWFOE-ILXRZTDVSA-N 2 0 364.494 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130304871 1201581214 /nfs/dbraw/zinc/58/12/14/1201581214.db2.gz DKCRUJLIDIOAOP-OGWOLHLISA-N 2 0 368.522 0.184 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130305134 1201581352 /nfs/dbraw/zinc/58/13/52/1201581352.db2.gz KSELYTCHZRFDBV-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130307305 1201582020 /nfs/dbraw/zinc/58/20/20/1201582020.db2.gz OUOFGJNJQBUYTA-APWZRJJASA-N 2 0 368.522 0.184 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)NCc2cccnc2C2CC[NH2+]CC2)C1=O ZINC001219931781 1224688155 /nfs/dbraw/zinc/68/81/55/1224688155.db2.gz ZRRXGRIAWDRMND-INIZCTEOSA-N 2 0 359.474 0.505 20 0 FCADRP CCn1c(N)c(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c(=O)n(CC)c1=O ZINC001219972034 1224708494 /nfs/dbraw/zinc/70/84/94/1224708494.db2.gz HWBAEJBVJKEJMO-LBPRGKRZSA-N 2 0 368.482 0.066 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130609972 1202729530 /nfs/dbraw/zinc/72/95/30/1202729530.db2.gz DOQYWPYGDSRSDK-XYJFISCASA-N 2 0 363.506 0.561 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659831 1202750022 /nfs/dbraw/zinc/75/00/22/1202750022.db2.gz WNVOLMHTMZVWBB-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)ncn1 ZINC001130669251 1202751375 /nfs/dbraw/zinc/75/13/75/1202751375.db2.gz BUZUMWRZUYHDJD-FUHWJXTLSA-N 2 0 371.489 0.554 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]C[C@H]2CCCOC2)c1 ZINC001130670072 1202751834 /nfs/dbraw/zinc/75/18/34/1202751834.db2.gz PNHFYRXTXZPVGK-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672733 1202752136 /nfs/dbraw/zinc/75/21/36/1202752136.db2.gz XQDNEEOKUSZCEW-DOTOQJQBSA-N 2 0 365.522 0.928 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672299 1202752389 /nfs/dbraw/zinc/75/23/89/1202752389.db2.gz LWNZRBSKOBIGKK-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)[NH+](CC)CC ZINC001130675657 1202753212 /nfs/dbraw/zinc/75/32/12/1202753212.db2.gz ZWCKIHVNFBTLKJ-CGTJXYLNSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130706605 1202756734 /nfs/dbraw/zinc/75/67/34/1202756734.db2.gz OOHANOABFASIJY-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130698216 1202758105 /nfs/dbraw/zinc/75/81/05/1202758105.db2.gz FUALMEJUJREPQE-FUHWJXTLSA-N 2 0 365.522 0.809 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712634 1202759719 /nfs/dbraw/zinc/75/97/19/1202759719.db2.gz DZENWWGRIJSSCS-DZGCQCFKSA-N 2 0 360.462 0.651 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726355 1202767902 /nfs/dbraw/zinc/76/79/02/1202767902.db2.gz ULBJHKZXBJSFQB-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130943857 1202826730 /nfs/dbraw/zinc/82/67/30/1202826730.db2.gz MLDRILNPGDOVQL-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCCO ZINC001131025997 1202847669 /nfs/dbraw/zinc/84/76/69/1202847669.db2.gz OIVBVNBNCTXKSI-HZPDHXFCSA-N 2 0 361.490 0.315 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131060212 1202853880 /nfs/dbraw/zinc/85/38/80/1202853880.db2.gz ZRJSJSOWSIDXFR-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108050 1202863997 /nfs/dbraw/zinc/86/39/97/1202863997.db2.gz HNEIHWRBGNZCCF-ARFHVFGLSA-N 2 0 361.490 0.435 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCC1CC1 ZINC001131108107 1202864152 /nfs/dbraw/zinc/86/41/52/1202864152.db2.gz JXKNCIKGUGVLPL-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086659270 1202872252 /nfs/dbraw/zinc/87/22/52/1202872252.db2.gz QGHAAYWQYIXUCK-RRFJBIMHSA-N 2 0 362.478 0.277 20 0 FCADRP COCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313450 1202887885 /nfs/dbraw/zinc/88/78/85/1202887885.db2.gz SGAVETKOLLYWBM-OAGGEKHMSA-N 2 0 368.478 0.081 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1 ZINC001131313554 1202887980 /nfs/dbraw/zinc/88/79/80/1202887980.db2.gz WFGDERJDEMDCLR-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131454219 1202898359 /nfs/dbraw/zinc/89/83/59/1202898359.db2.gz RAJKVVKSDAMWTD-KURKYZTESA-N 2 0 369.506 0.075 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808938258 1202906951 /nfs/dbraw/zinc/90/69/51/1202906951.db2.gz OFNRRKOVZYLIPJ-UHFFFAOYSA-N 2 0 362.430 0.247 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131555796 1202913911 /nfs/dbraw/zinc/91/39/11/1202913911.db2.gz XLIMXSNMBRUADA-MJGOQNOKSA-N 2 0 371.522 0.323 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604726 1202918505 /nfs/dbraw/zinc/91/85/05/1202918505.db2.gz DMSSWLWOMMLBPO-KYJSFNMBSA-N 2 0 366.506 0.202 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134129572 1203014689 /nfs/dbraw/zinc/01/46/89/1203014689.db2.gz LGLRCOYSIZEFQS-JQHSSLGASA-N 2 0 360.502 0.952 20 0 FCADRP CC1(C)OCc2cc(C[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+])ccc2O1 ZINC001220103090 1224762830 /nfs/dbraw/zinc/76/28/30/1224762830.db2.gz GGXKDWKPKKRMTQ-AWEZNQCLSA-N 2 0 363.462 0.662 20 0 FCADRP Cc1nc2c([nH]1)C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001086737394 1203063385 /nfs/dbraw/zinc/06/33/85/1203063385.db2.gz IBBKKPVUBPHXMO-ARFHVFGLSA-N 2 0 371.489 0.989 20 0 FCADRP CC[C@]([NH3+])(CO)Nc1nccc(C[N@@H+]2CC[C@@H](CO)C2)c1C(OC)OC ZINC001170857163 1203098442 /nfs/dbraw/zinc/09/84/42/1203098442.db2.gz DHJKFNGEMGYNQC-FZKQIMNGSA-N 2 0 368.478 0.656 20 0 FCADRP C[C@@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863210 1203101783 /nfs/dbraw/zinc/10/17/83/1203101783.db2.gz TVOJHQHZUMLMSB-GVDBMIGSSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000817920415 1203126162 /nfs/dbraw/zinc/12/61/62/1203126162.db2.gz KLEYJVHVAUMCCE-UHFFFAOYSA-N 2 0 357.458 0.332 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000817926551 1203126691 /nfs/dbraw/zinc/12/66/91/1203126691.db2.gz MXXWPBWAHPOBIA-AEFFLSMTSA-N 2 0 360.502 0.815 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)CC2)c1 ZINC000817958228 1203128462 /nfs/dbraw/zinc/12/84/62/1203128462.db2.gz UCZPSIRCJYTMLP-LJQANCHMSA-N 2 0 373.457 0.093 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001143353488 1203317988 /nfs/dbraw/zinc/31/79/88/1203317988.db2.gz LGDWYBMPQLIAPB-UHFFFAOYSA-N 2 0 374.533 0.705 20 0 FCADRP O=C(NCCCCCCN1C(=O)C=CC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220127521 1224781498 /nfs/dbraw/zinc/78/14/98/1224781498.db2.gz YBHQSFVWGNKGGP-OAHLLOKOSA-N 2 0 362.474 0.462 20 0 FCADRP COC(=O)[C@]1(NC(=O)CNC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228339 1224809677 /nfs/dbraw/zinc/80/96/77/1224809677.db2.gz JLTIQKOVGJHUCK-FQEVSTJZSA-N 2 0 374.485 0.262 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220238071 1224812995 /nfs/dbraw/zinc/81/29/95/1224812995.db2.gz LJNPQVDJIJVRIA-KURKYZTESA-N 2 0 367.465 0.232 20 0 FCADRP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237930 1224813227 /nfs/dbraw/zinc/81/32/27/1224813227.db2.gz IINOFQGGLZPERQ-OTWHNJEPSA-N 2 0 363.502 0.747 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001220263330 1224816811 /nfs/dbraw/zinc/81/68/11/1224816811.db2.gz GOSWKQMZWQVRTG-QGZVFWFLSA-N 2 0 365.522 0.034 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254615 1224815204 /nfs/dbraw/zinc/81/52/04/1224815204.db2.gz SUOZDVJUTVYJHG-JYJNAYRXSA-N 2 0 368.522 0.720 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220311318 1224825441 /nfs/dbraw/zinc/82/54/41/1224825441.db2.gz MDMQGWYQNXYWQT-SFHVURJKSA-N 2 0 372.473 0.622 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220316877 1224827316 /nfs/dbraw/zinc/82/73/16/1224827316.db2.gz UHPAGKZJTVSCKJ-ITDSCVKFSA-N 2 0 370.453 0.123 20 0 FCADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220356935 1224840866 /nfs/dbraw/zinc/84/08/66/1224840866.db2.gz GLBICNKLGUHPJM-NXOAAHMSSA-N 2 0 361.442 0.536 20 0 FCADRP CC(CC(=O)NOC1CC[NH+](C)CC1)CC(=O)NOC1CC[NH+](C)CC1 ZINC000846649108 1204648409 /nfs/dbraw/zinc/64/84/09/1204648409.db2.gz BFTBNSCBOLUDAQ-UHFFFAOYSA-N 2 0 370.494 0.687 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357453 1224842361 /nfs/dbraw/zinc/84/23/61/1224842361.db2.gz JKOBSPGVRGRXRX-LZQZEXGQSA-N 2 0 363.502 0.727 20 0 FCADRP O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357331 1224842509 /nfs/dbraw/zinc/84/25/09/1224842509.db2.gz KJHBANJKHOPUMZ-NXOAAHMSSA-N 2 0 361.442 0.285 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCC1=O ZINC001220358182 1224842615 /nfs/dbraw/zinc/84/26/15/1224842615.db2.gz PMLVHJNQZJFJQV-SOLBZPMBSA-N 2 0 373.453 0.740 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369885 1224846311 /nfs/dbraw/zinc/84/63/11/1224846311.db2.gz WFMIGKHHNSEEAP-OAGGEKHMSA-N 2 0 368.522 0.042 20 0 FCADRP COC(=O)C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OC(C)(C)C ZINC001220379398 1224849548 /nfs/dbraw/zinc/84/95/48/1224849548.db2.gz SFMDOFSEVIDOFD-STQMWFEESA-N 2 0 369.462 0.250 20 0 FCADRP CC(=O)NCCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582686 1204798317 /nfs/dbraw/zinc/79/83/17/1204798317.db2.gz CEYFOMHXRDVCSM-NVXWUHKLSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001091674873 1204819123 /nfs/dbraw/zinc/81/91/23/1204819123.db2.gz XYHZTKQLJGYWON-YRNRMSPPSA-N 2 0 362.518 0.907 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1)C1CC1 ZINC001091734908 1204836190 /nfs/dbraw/zinc/83/61/90/1204836190.db2.gz ACJXKMYIZZKELL-BEFAXECRSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391885 1224854700 /nfs/dbraw/zinc/85/47/00/1224854700.db2.gz QYOMKCYSPYQULC-INIZCTEOSA-N 2 0 364.494 0.425 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735775 1204836822 /nfs/dbraw/zinc/83/68/22/1204836822.db2.gz XIRYGAAWWJGYQF-GLJUWKHASA-N 2 0 362.474 0.056 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737062 1204837579 /nfs/dbraw/zinc/83/75/79/1204837579.db2.gz BGLGQYROQDYSKN-SYNHAJSKSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743117 1204839796 /nfs/dbraw/zinc/83/97/96/1204839796.db2.gz KIAQXHDZYMQICE-MUKKUYKPSA-N 2 0 362.474 0.056 20 0 FCADRP Cn1ncnc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754173 1204844398 /nfs/dbraw/zinc/84/43/98/1204844398.db2.gz HKWZMSMEMRIPRL-GJYPPUQNSA-N 2 0 360.506 0.970 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1)C12CC[NH+](CC1)C2 ZINC001086854236 1204852863 /nfs/dbraw/zinc/85/28/63/1204852863.db2.gz OGXUNEQMPBYODW-LSDHHAIUSA-N 2 0 364.469 0.718 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086882772 1204856923 /nfs/dbraw/zinc/85/69/23/1204856923.db2.gz LKDSSLBGWADVIN-RRFJBIMHSA-N 2 0 364.494 0.357 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086883139 1204856970 /nfs/dbraw/zinc/85/69/70/1204856970.db2.gz QLGDKJOBUYHEDL-GOEBONIOSA-N 2 0 371.489 0.960 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009655 1204896979 /nfs/dbraw/zinc/89/69/79/1204896979.db2.gz RCZCYEXFGVQWNS-RYQLBKOJSA-N 2 0 371.489 0.190 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087009759 1204897419 /nfs/dbraw/zinc/89/74/19/1204897419.db2.gz XATGVZMHZIUOQJ-RBUKOAKNSA-N 2 0 368.485 0.995 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087035023 1204911664 /nfs/dbraw/zinc/91/16/64/1204911664.db2.gz IJPMIMFWPSQDSQ-KZNAEPCWSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087055626 1204935471 /nfs/dbraw/zinc/93/54/71/1204935471.db2.gz YCEMIIYCWUEWSS-MUIFIZLQSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087059392 1204943741 /nfs/dbraw/zinc/94/37/41/1204943741.db2.gz CPIKBTMTYGYFRY-OIISXLGYSA-N 2 0 365.478 0.671 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087059385 1204943961 /nfs/dbraw/zinc/94/39/61/1204943961.db2.gz CEOCENQPFSMFJG-NUJGCVRESA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087059718 1204944689 /nfs/dbraw/zinc/94/46/89/1204944689.db2.gz RUAAUGCYCSRLHW-INMHGKMJSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087063067 1204949741 /nfs/dbraw/zinc/94/97/41/1204949741.db2.gz HMHUMCJRAJTGND-DJIMGWMZSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087066840 1204956153 /nfs/dbraw/zinc/95/61/53/1204956153.db2.gz XFHHPVNTBWCRPP-RHSMWYFYSA-N 2 0 370.413 0.984 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083930 1204972599 /nfs/dbraw/zinc/97/25/99/1204972599.db2.gz YLEZRVMHJPBRLV-ARFHVFGLSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087089566 1204977854 /nfs/dbraw/zinc/97/78/54/1204977854.db2.gz WJJSCAMDJGEVSW-BRWVUGGUSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087079434 1204990336 /nfs/dbraw/zinc/99/03/36/1204990336.db2.gz OWCZGQPRVUDXHR-NVXWUHKLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087101032 1204996814 /nfs/dbraw/zinc/99/68/14/1204996814.db2.gz PVYOJGXOLXELHV-NVXWUHKLSA-N 2 0 364.494 0.347 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087100834 1204998599 /nfs/dbraw/zinc/99/85/99/1204998599.db2.gz GZJJLEYNEMEFGA-SJLPKXTDSA-N 2 0 363.506 0.777 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087096303 1205003422 /nfs/dbraw/zinc/00/34/22/1205003422.db2.gz HXUSTHCFQSPUKZ-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823944 1205043759 /nfs/dbraw/zinc/04/37/59/1205043759.db2.gz MZVUDMQXJAOTDQ-BEFAXECRSA-N 2 0 355.442 0.816 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013473 1205113230 /nfs/dbraw/zinc/11/32/30/1205113230.db2.gz RTICYSBMIORCDY-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012887 1205113659 /nfs/dbraw/zinc/11/36/59/1205113659.db2.gz DLGHNTCZPWMHON-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145338 1205171215 /nfs/dbraw/zinc/17/12/15/1205171215.db2.gz KFJPGELBUHDXLS-CLCXKQKWSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2 ZINC001092275523 1205222672 /nfs/dbraw/zinc/22/26/72/1205222672.db2.gz GYZWTVZKRKGBEY-XLIONFOSSA-N 2 0 362.518 0.875 20 0 FCADRP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001092300039 1205233554 /nfs/dbraw/zinc/23/35/54/1205233554.db2.gz QEOCLXWZNVKNRN-XLIONFOSSA-N 2 0 362.518 0.875 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001092302859 1205235215 /nfs/dbraw/zinc/23/52/15/1205235215.db2.gz APCLLQQRTWYWQT-POAQFYNOSA-N 2 0 364.534 0.975 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H](N)CC[NH3+])nc3ccc(C)cc3n12 ZINC001220456208 1224878013 /nfs/dbraw/zinc/87/80/13/1224878013.db2.gz HEPOXDFCWWPXRA-ZDUSSCGKSA-N 2 0 355.446 0.467 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001092523109 1205302478 /nfs/dbraw/zinc/30/24/78/1205302478.db2.gz AQIHEXMTRGNZDV-IIDMSEBBSA-N 2 0 361.490 0.344 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[N@@H+]1C ZINC001092618292 1205329568 /nfs/dbraw/zinc/32/95/68/1205329568.db2.gz IIIINUGMPLCTTI-APIJFGDWSA-N 2 0 364.494 0.023 20 0 FCADRP [NH3+][C@H](CNC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC001220503556 1224895266 /nfs/dbraw/zinc/89/52/66/1224895266.db2.gz DXARGSOMVUDQBU-NVXWUHKLSA-N 2 0 366.425 0.820 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[NH2+]CCN3)cc2)CC1 ZINC001220515502 1224899524 /nfs/dbraw/zinc/89/95/24/1224899524.db2.gz DOFYIVNEPABZGX-ARAOSMHQSA-N 2 0 359.474 0.271 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911526 1205940750 /nfs/dbraw/zinc/94/07/50/1205940750.db2.gz SQSYEKNKXRLXFT-ZACQAIPSSA-N 2 0 364.494 0.071 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911021 1205941327 /nfs/dbraw/zinc/94/13/27/1205941327.db2.gz NPXUZBLCVUGNBG-KZNAEPCWSA-N 2 0 363.506 0.676 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120286 1206026953 /nfs/dbraw/zinc/02/69/53/1206026953.db2.gz FMQWNCSFTDQJSZ-CRAIPNDOSA-N 2 0 364.534 0.881 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001093821872 1206123805 /nfs/dbraw/zinc/12/38/05/1206123805.db2.gz HODXKBXBLUEQKC-FRFSOERESA-N 2 0 363.510 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093864688 1206136714 /nfs/dbraw/zinc/13/67/14/1206136714.db2.gz SUHXFJBNMONSGR-OAGGEKHMSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093890564 1206145436 /nfs/dbraw/zinc/14/54/36/1206145436.db2.gz RGOBDUXQUUWYJL-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C)c1nnnn1C ZINC001093920227 1206150098 /nfs/dbraw/zinc/15/00/98/1206150098.db2.gz YSYKVZBKMGDFRA-UMVBOHGHSA-N 2 0 368.445 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094137596 1206191165 /nfs/dbraw/zinc/19/11/65/1206191165.db2.gz QWGXMACCHQJQOB-INMHGKMJSA-N 2 0 366.506 0.012 20 0 FCADRP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001094169542 1206198204 /nfs/dbraw/zinc/19/82/04/1206198204.db2.gz PPSPSBJAHRABHG-HZPDHXFCSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094169402 1206198500 /nfs/dbraw/zinc/19/85/00/1206198500.db2.gz IYTLCCZDPQJCSU-HUUCEWRRSA-N 2 0 364.469 0.528 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094219591 1206203126 /nfs/dbraw/zinc/20/31/26/1206203126.db2.gz NJQAZFWSBOMAOR-RBSFLKMASA-N 2 0 363.510 0.564 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094221050 1206203803 /nfs/dbraw/zinc/20/38/03/1206203803.db2.gz MMDAWUOIMFISAW-RBSFLKMASA-N 2 0 361.494 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094241583 1206209725 /nfs/dbraw/zinc/20/97/25/1206209725.db2.gz QLQOFZHUFPBCAA-KYJSFNMBSA-N 2 0 358.486 0.934 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132733 1206257197 /nfs/dbraw/zinc/25/71/97/1206257197.db2.gz NOHNROJBUAOISN-XMTFNYHQSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CCC2 ZINC001173763328 1206288884 /nfs/dbraw/zinc/28/88/84/1206288884.db2.gz QQDCZHXMIXONDO-HZPDHXFCSA-N 2 0 372.477 0.681 20 0 FCADRP CN1CCCn2nc(C(=O)N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)cc2C1 ZINC001175066342 1206298961 /nfs/dbraw/zinc/29/89/61/1206298961.db2.gz WAUIRSUSFXZRHO-OAHLLOKOSA-N 2 0 371.489 0.749 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001178527391 1206358994 /nfs/dbraw/zinc/35/89/94/1206358994.db2.gz KSTRJNVQJXVJKY-QLFBSQMISA-N 2 0 369.510 0.566 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC3)CC1 ZINC001178691898 1206362940 /nfs/dbraw/zinc/36/29/40/1206362940.db2.gz JCKWWXKUPJJHPH-KRWDZBQOSA-N 2 0 360.506 0.457 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)no1 ZINC001178730986 1206363758 /nfs/dbraw/zinc/36/37/58/1206363758.db2.gz ISOQLDCPPYXEKA-BARDWOONSA-N 2 0 363.462 0.841 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)Nc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC001180343435 1206393123 /nfs/dbraw/zinc/39/31/23/1206393123.db2.gz XTLGXKOLPPBXKM-UHFFFAOYSA-N 2 0 361.494 0.193 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)Nc2cccnc2N2CCN(C)CC2)CC1 ZINC001180342930 1206393222 /nfs/dbraw/zinc/39/32/22/1206393222.db2.gz MZALNGRIRFWOSK-UHFFFAOYSA-N 2 0 360.506 0.798 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397718 /nfs/dbraw/zinc/39/77/18/1206397718.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 0 374.485 0.460 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001182030764 1206418807 /nfs/dbraw/zinc/41/88/07/1206418807.db2.gz GZKCJQAVRJFOMA-UHFFFAOYSA-N 2 0 361.490 0.320 20 0 FCADRP Nc1cn(C(=O)[C@H]2C[NH+]3CCC2CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001182008684 1206419538 /nfs/dbraw/zinc/41/95/38/1206419538.db2.gz KTFCOYLNORYSMW-INIZCTEOSA-N 2 0 359.474 0.285 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220585599 1224951769 /nfs/dbraw/zinc/95/17/69/1224951769.db2.gz QPLSRPZWMKTALN-QGZVFWFLSA-N 2 0 374.485 0.058 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220585567 1224952257 /nfs/dbraw/zinc/95/22/57/1224952257.db2.gz PSIKYTPUPAJQRP-KXBFYZLASA-N 2 0 360.458 0.063 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001182684691 1206442145 /nfs/dbraw/zinc/44/21/45/1206442145.db2.gz UQLICGBCQMRBAF-MGPQQGTHSA-N 2 0 367.494 0.141 20 0 FCADRP CC(C)[C@H](C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)[NH+](C)C ZINC001183359984 1206452008 /nfs/dbraw/zinc/45/20/08/1206452008.db2.gz MCVNZDOCFTZETN-MRXNPFEDSA-N 2 0 365.478 0.437 20 0 FCADRP C[NH+](C)[C@@H]1C[C@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001183372539 1206452634 /nfs/dbraw/zinc/45/26/34/1206452634.db2.gz DEGGKBWDQOTLER-WOVMCDHWSA-N 2 0 360.506 0.313 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)CC2)C1=O ZINC001183401097 1206452851 /nfs/dbraw/zinc/45/28/51/1206452851.db2.gz SAUCCNUWDNIVGU-QAPCUYQASA-N 2 0 371.485 0.719 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000774782468 1206473391 /nfs/dbraw/zinc/47/33/91/1206473391.db2.gz WUKMGPOLKVOZRM-KZNAEPCWSA-N 2 0 374.485 0.385 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000774814399 1206474725 /nfs/dbraw/zinc/47/47/25/1206474725.db2.gz HYHIZDLKTQUZNO-HZPDHXFCSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH+](C)CCN1C)[C@H]2C ZINC001185253030 1206477632 /nfs/dbraw/zinc/47/76/32/1206477632.db2.gz VJMFMABKAFHUQS-DOTOQJQBSA-N 2 0 362.522 0.872 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001186039610 1206490813 /nfs/dbraw/zinc/49/08/13/1206490813.db2.gz YUJFKVWXKAUCRG-KRWDZBQOSA-N 2 0 367.490 0.319 20 0 FCADRP O=C(CN1CC[C@@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001186043781 1206491816 /nfs/dbraw/zinc/49/18/16/1206491816.db2.gz AQFCHCRUUVWFJI-GFCCVEGCSA-N 2 0 373.379 0.647 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186383565 1206496791 /nfs/dbraw/zinc/49/67/91/1206496791.db2.gz ZHQQFJOQINQRMW-OWCLPIDISA-N 2 0 366.506 0.047 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220654274 1224993779 /nfs/dbraw/zinc/99/37/79/1224993779.db2.gz LIUCJELRRGUEEL-IBGZPJMESA-N 2 0 371.529 0.786 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001188382994 1207448596 /nfs/dbraw/zinc/44/85/96/1207448596.db2.gz LRHCMYINAFXJQI-YESZJQIVSA-N 2 0 362.474 0.641 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405128 1207454775 /nfs/dbraw/zinc/45/47/75/1207454775.db2.gz AAZIUMYBLOUGAI-RYQLBKOJSA-N 2 0 362.474 0.448 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001189055009 1207498582 /nfs/dbraw/zinc/49/85/82/1207498582.db2.gz MJOVACSUSQHLHL-JENIJYKNSA-N 2 0 361.486 0.911 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126644 1207509402 /nfs/dbraw/zinc/50/94/02/1207509402.db2.gz JCGDWNWVBBWVJV-RYQLBKOJSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189160069 1207514256 /nfs/dbraw/zinc/51/42/56/1207514256.db2.gz URETWFQCHMCOQK-JKSUJKDBSA-N 2 0 365.522 0.522 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433300 1207550717 /nfs/dbraw/zinc/55/07/17/1207550717.db2.gz MVNJLZSBJXROSC-GVDBMIGSSA-N 2 0 359.474 0.735 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189660050 1207585165 /nfs/dbraw/zinc/58/51/65/1207585165.db2.gz MUEFSKUHPJDEGF-JKSUJKDBSA-N 2 0 367.538 0.959 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189802094 1207610805 /nfs/dbraw/zinc/61/08/05/1207610805.db2.gz RWTOENPCTJKRIY-DLBZAZTESA-N 2 0 364.494 0.006 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923141 1207621052 /nfs/dbraw/zinc/62/10/52/1207621052.db2.gz JIRSCIUOBXIGOM-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C34CC[NH+](CC3)CC4)C2)C1 ZINC001273589655 1207623695 /nfs/dbraw/zinc/62/36/95/1207623695.db2.gz ODQKFQWBTIXFLR-FQEVSTJZSA-N 2 0 364.534 0.727 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C(=O)n3cnc(C[NH3+])cc3=N)cc2)CC1 ZINC001190857599 1207732540 /nfs/dbraw/zinc/73/25/40/1207732540.db2.gz LSRUHMQFMMJYNI-UHFFFAOYSA-N 2 0 354.458 0.647 20 0 FCADRP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O ZINC001193095034 1207859955 /nfs/dbraw/zinc/85/99/55/1207859955.db2.gz FFXDQMJKLDBVPT-FVQBIDKESA-N 2 0 360.462 0.492 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901479 1207897757 /nfs/dbraw/zinc/89/77/57/1207897757.db2.gz FZJDFDYSDAYHBE-GUDVDZBRSA-N 2 0 361.486 0.715 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)n3ccc([C@@H]4CCC[NH2+]4)nc3=N)c2)CC1 ZINC001193944348 1207904211 /nfs/dbraw/zinc/90/42/11/1207904211.db2.gz RLFPYFYDGLOLQA-INIZCTEOSA-N 2 0 367.457 0.622 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC001194038568 1207906727 /nfs/dbraw/zinc/90/67/27/1207906727.db2.gz FDTNNRFSCGCPRX-KURKYZTESA-N 2 0 365.518 0.839 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)CC[NH+]2CCCC2)C3)CC1 ZINC001273672402 1207923920 /nfs/dbraw/zinc/92/39/20/1207923920.db2.gz BZKMAGCGVJZEBO-OXQOHEQNSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)CC[NH+]2CCCC2)C3)CC1 ZINC001273672645 1207924650 /nfs/dbraw/zinc/92/46/50/1207924650.db2.gz IHAPFRKFGOMWPW-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194528927 1207960085 /nfs/dbraw/zinc/96/00/85/1207960085.db2.gz LUWZKFZEXDMOJB-MRXNPFEDSA-N 2 0 364.465 0.980 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001195981261 1208049179 /nfs/dbraw/zinc/04/91/79/1208049179.db2.gz RGYLEDSARBMKNH-KZNAEPCWSA-N 2 0 367.465 0.952 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001195980625 1208049247 /nfs/dbraw/zinc/04/92/47/1208049247.db2.gz ATHHIKCWEMEREW-JFIYKMOQSA-N 2 0 367.465 0.952 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc3nonc3c2)C[C@H]1O)[NH+](C)C ZINC001195980624 1208049625 /nfs/dbraw/zinc/04/96/25/1208049625.db2.gz ATBRCWDBULHYOF-BRWVUGGUSA-N 2 0 361.446 0.470 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O ZINC001197000815 1208127651 /nfs/dbraw/zinc/12/76/51/1208127651.db2.gz KZSWMXDRZCFQCM-QZTJIDSGSA-N 2 0 365.522 0.902 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001197058056 1208132355 /nfs/dbraw/zinc/13/23/55/1208132355.db2.gz LYNFLTCKSFGRQD-GUDVDZBRSA-N 2 0 363.502 0.483 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O)C(C)C ZINC001197024416 1208133222 /nfs/dbraw/zinc/13/32/22/1208133222.db2.gz CRRZGHFYWAKBFO-NUJGCVRESA-N 2 0 368.522 0.135 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1 ZINC001197510708 1208169304 /nfs/dbraw/zinc/16/93/04/1208169304.db2.gz WGYPVXNNDYCPEN-UHFFFAOYSA-N 2 0 368.485 0.956 20 0 FCADRP C[N@H+](C1CN(C(=O)c2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1)[C@H]1CCOC1 ZINC001197610914 1208177205 /nfs/dbraw/zinc/17/72/05/1208177205.db2.gz PFZFAPRYKMMOGW-PKOBYXMFSA-N 2 0 359.470 0.798 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001197724939 1208191047 /nfs/dbraw/zinc/19/10/47/1208191047.db2.gz ZAEZWVVTSJVZDZ-QZTJIDSGSA-N 2 0 365.522 0.947 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001197784327 1208196984 /nfs/dbraw/zinc/19/69/84/1208196984.db2.gz VLPYUXSLUNFCHP-RTBURBONSA-N 2 0 361.486 0.415 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001197825776 1208201454 /nfs/dbraw/zinc/20/14/54/1208201454.db2.gz IILZAPLVLCUJKG-RTBURBONSA-N 2 0 361.486 0.804 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197996885 1208212373 /nfs/dbraw/zinc/21/23/73/1208212373.db2.gz LENJTTMLVCQPDA-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046396 1208212841 /nfs/dbraw/zinc/21/28/41/1208212841.db2.gz CCEWVBSNUJQVCC-BRWVUGGUSA-N 2 0 368.522 0.137 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663137 1208280618 /nfs/dbraw/zinc/28/06/18/1208280618.db2.gz XYNMFDVCJPKBIE-ZTFGCOKTSA-N 2 0 365.449 0.708 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CC3(CCN3C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835742 1208406840 /nfs/dbraw/zinc/40/68/40/1208406840.db2.gz QIIIAGGIECRSLA-IRXDYDNUSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1O ZINC001220768354 1225062678 /nfs/dbraw/zinc/06/26/78/1225062678.db2.gz IILZAPLVLCUJKG-MOPGFXCFSA-N 2 0 361.486 0.804 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CCC3(CN(CC[NH+](C)C)C3)CC2)CC1 ZINC001273848609 1208431381 /nfs/dbraw/zinc/43/13/81/1208431381.db2.gz RPUYVOJSVYTFHP-UHFFFAOYSA-N 2 0 365.566 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001273855889 1208434364 /nfs/dbraw/zinc/43/43/64/1208434364.db2.gz YDVLHZASFPFETH-LJQANCHMSA-N 2 0 367.538 0.073 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001110569349 1208463100 /nfs/dbraw/zinc/46/31/00/1208463100.db2.gz KZNCRPGMEHVSLR-XDNAFOTISA-N 2 0 360.502 0.576 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001488734713 1208549749 /nfs/dbraw/zinc/54/97/49/1208549749.db2.gz FZPRGUGPJBLWPF-TXCZRRACSA-N 2 0 350.507 0.870 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001488982386 1208599340 /nfs/dbraw/zinc/59/93/40/1208599340.db2.gz UBFDUALTSSMPQQ-BHYGNILZSA-N 2 0 351.495 0.681 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220801519 1225080282 /nfs/dbraw/zinc/08/02/82/1225080282.db2.gz ZYHINKCNAPYMTI-SDDRHHMPSA-N 2 0 372.395 0.186 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001489202438 1208663883 /nfs/dbraw/zinc/66/38/83/1208663883.db2.gz JGTQRZDDEZHKAR-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220807221 1225082589 /nfs/dbraw/zinc/08/25/89/1225082589.db2.gz RAMJDVMARNFYQZ-OTWHNJEPSA-N 2 0 363.502 0.483 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1)[NH+](C)C ZINC001489526535 1208881273 /nfs/dbraw/zinc/88/12/73/1208881273.db2.gz YXPHJZQFEXCLMQ-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CCN(CC)C(=O)N1CCC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001220911640 1225135802 /nfs/dbraw/zinc/13/58/02/1225135802.db2.gz RLLAKOFEBLRTLH-MRXNPFEDSA-N 2 0 365.522 0.903 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C3(N)CC[NH2+]CC3)CC2)c1 ZINC001220913309 1225137191 /nfs/dbraw/zinc/13/71/91/1225137191.db2.gz OQHXHBGPQPHKAW-UHFFFAOYSA-N 2 0 374.485 0.635 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)nn1 ZINC000851630683 1209507518 /nfs/dbraw/zinc/50/75/18/1209507518.db2.gz KOYFPZXTZYRVQV-UHFFFAOYSA-N 2 0 358.402 0.398 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000852741614 1209561238 /nfs/dbraw/zinc/56/12/38/1209561238.db2.gz WPTYHVZMUMLSGG-OAHLLOKOSA-N 2 0 370.494 0.505 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000852739626 1209561426 /nfs/dbraw/zinc/56/14/26/1209561426.db2.gz CNKSIGQLXHTISZ-IYWMVGAKSA-N 2 0 368.566 0.294 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936551 1225148686 /nfs/dbraw/zinc/14/86/86/1225148686.db2.gz HBZSOBPNOGRTKR-ROUUACIJSA-N 2 0 357.458 0.296 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1)C1CCC1 ZINC001110673676 1209608092 /nfs/dbraw/zinc/60/80/92/1209608092.db2.gz MHTOPJMYUCQPCZ-ZACQAIPSSA-N 2 0 364.490 0.051 20 0 FCADRP [NH3+]CCn1cc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)nn1 ZINC000854146029 1209616926 /nfs/dbraw/zinc/61/69/26/1209616926.db2.gz ASEFDUCQSLQYBM-HNNXBMFYSA-N 2 0 355.402 0.860 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857244628 1209747709 /nfs/dbraw/zinc/74/77/09/1209747709.db2.gz IYZQAIWVJIBEBV-GHTZIAJQSA-N 2 0 372.513 0.959 20 0 FCADRP O=C(NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001110765610 1209809770 /nfs/dbraw/zinc/80/97/70/1209809770.db2.gz IENYYRRBAQIBOQ-ZACQAIPSSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000861760946 1209880577 /nfs/dbraw/zinc/88/05/77/1209880577.db2.gz RYYFPVKNKNHURY-XLIONFOSSA-N 2 0 374.485 0.119 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220974632 1225169091 /nfs/dbraw/zinc/16/90/91/1225169091.db2.gz FUNPKTSHKZMIES-JXFKEZNVSA-N 2 0 360.477 0.806 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220974633 1225169837 /nfs/dbraw/zinc/16/98/37/1225169837.db2.gz FUNPKTSHKZMIES-OXJNMPFZSA-N 2 0 360.477 0.806 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978325 1225171010 /nfs/dbraw/zinc/17/10/10/1225171010.db2.gz XYNMFDVCJPKBIE-QGTPRVQTSA-N 2 0 365.449 0.708 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986101 1225174175 /nfs/dbraw/zinc/17/41/75/1225174175.db2.gz SCCFKHDAFDUSEW-UHOSZYNNSA-N 2 0 361.486 0.625 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CCOCC2)c1 ZINC001220990721 1225177945 /nfs/dbraw/zinc/17/79/45/1225177945.db2.gz WLKVWDHSXYBXBD-QGZVFWFLSA-N 2 0 362.474 0.582 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000863773992 1209951565 /nfs/dbraw/zinc/95/15/65/1209951565.db2.gz NLUZCWUXQLVTDT-UZLBHIALSA-N 2 0 358.486 0.917 20 0 FCADRP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000864906095 1209967665 /nfs/dbraw/zinc/96/76/65/1209967665.db2.gz LTJXIVPOFJXAKL-KFESYUHLSA-N 2 0 366.481 0.811 20 0 FCADRP O=C([C@@H](F)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000865126639 1209971626 /nfs/dbraw/zinc/97/16/26/1209971626.db2.gz YNLVJTWJIQTTIE-BJWYYQGGSA-N 2 0 366.481 0.718 20 0 FCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(F)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000866540868 1209998218 /nfs/dbraw/zinc/99/82/18/1209998218.db2.gz SFVQLDGNDKEIFD-MPTQWLOMSA-N 2 0 366.481 0.522 20 0 FCADRP O=C(/C=C/CN1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000866768146 1210005858 /nfs/dbraw/zinc/00/58/58/1210005858.db2.gz PLXRRPSDANFJLC-YSDNAHFUSA-N 2 0 373.497 0.874 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868228857 1210045363 /nfs/dbraw/zinc/04/53/63/1210045363.db2.gz IJCZFAJRMRKDFR-WBVHZDCISA-N 2 0 365.522 0.665 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000868250671 1210047438 /nfs/dbraw/zinc/04/74/38/1210047438.db2.gz HCYMCLKUFKIUIF-ZDUSSCGKSA-N 2 0 365.453 0.760 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NCCN3CCOCC3(C)C)CC2)CC1 ZINC000868282202 1210049191 /nfs/dbraw/zinc/04/91/91/1210049191.db2.gz UQSPKPITQSFBRW-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302901 1210050919 /nfs/dbraw/zinc/05/09/19/1210050919.db2.gz SCIQNEXBGUDKMS-CALCHBBNSA-N 2 0 373.501 0.616 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000871463558 1210157892 /nfs/dbraw/zinc/15/78/92/1210157892.db2.gz IIHJZTFVFUGVLT-ZACQAIPSSA-N 2 0 366.506 0.299 20 0 FCADRP COc1cccc(CNC(=O)CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001221060459 1225204183 /nfs/dbraw/zinc/20/41/83/1225204183.db2.gz AUSOLRCQKLOVSS-MRXNPFEDSA-N 2 0 360.458 0.302 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000875334017 1210366210 /nfs/dbraw/zinc/36/62/10/1210366210.db2.gz JFGNOEQQZSSJJQ-WBVHZDCISA-N 2 0 368.522 0.448 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876777796 1210429314 /nfs/dbraw/zinc/42/93/14/1210429314.db2.gz TXSOULWZKNBETG-KRWDZBQOSA-N 2 0 362.522 0.872 20 0 FCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1(F)F ZINC000876981104 1210435740 /nfs/dbraw/zinc/43/57/40/1210435740.db2.gz RLRKXDAFSWTGEL-YWPYICTPSA-N 2 0 368.432 0.365 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]2[NH3+])cc1 ZINC000877237984 1210440788 /nfs/dbraw/zinc/44/07/88/1210440788.db2.gz RXVQDLDYJMVHRR-BPQIPLTHSA-N 2 0 374.485 0.358 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)ccn2)CC1 ZINC000877331136 1210443068 /nfs/dbraw/zinc/44/30/68/1210443068.db2.gz LDLYDEFYYYPUAY-QGZVFWFLSA-N 2 0 373.501 0.722 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc2[nH]c1=O ZINC000877370633 1210444634 /nfs/dbraw/zinc/44/46/34/1210444634.db2.gz DDCWWPCVLWLKRI-IFXJQAMLSA-N 2 0 357.458 0.985 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2cnccn2)CC1 ZINC001221082342 1225214347 /nfs/dbraw/zinc/21/43/47/1225214347.db2.gz QABXFELGCLFZJY-KBPBESRZSA-N 2 0 360.462 0.029 20 0 FCADRP COc1cccc(C2(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC[NH2+]CC2)c1 ZINC001221094319 1225219437 /nfs/dbraw/zinc/21/94/37/1225219437.db2.gz PGCBCUMTLNSSQT-OAHLLOKOSA-N 2 0 363.462 0.166 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc3cncn3C)CC2)c1 ZINC001221091937 1225219999 /nfs/dbraw/zinc/21/99/99/1225219999.db2.gz IAAIIBNMEPDGND-KRWDZBQOSA-N 2 0 357.458 0.775 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(CCC[NH3+])nn3)cc2)CC1 ZINC000881389822 1210586275 /nfs/dbraw/zinc/58/62/75/1210586275.db2.gz FVPSQIYBUVYRHZ-UHFFFAOYSA-N 2 0 371.489 0.950 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221114093 1225227452 /nfs/dbraw/zinc/22/74/52/1225227452.db2.gz MRVKODXBIHCFOL-MSOLQXFVSA-N 2 0 371.529 0.893 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000130582920 1210644885 /nfs/dbraw/zinc/64/48/85/1210644885.db2.gz NAFNFFWXCPBFCT-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP C[C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)CN1CCOCC1 ZINC000883441740 1210667245 /nfs/dbraw/zinc/66/72/45/1210667245.db2.gz WODZNVUBPSEMRJ-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000883603706 1210673184 /nfs/dbraw/zinc/67/31/84/1210673184.db2.gz BMAZOOWBZIKPIH-AEFFLSMTSA-N 2 0 371.485 0.778 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604478 1210673450 /nfs/dbraw/zinc/67/34/50/1210673450.db2.gz XZRRXMWXYRNRDD-RHSMWYFYSA-N 2 0 357.458 0.469 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221123730 1225230163 /nfs/dbraw/zinc/23/01/63/1225230163.db2.gz HUEMRYWWXHWGJL-FUHWJXTLSA-N 2 0 357.502 0.850 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000883639169 1210677035 /nfs/dbraw/zinc/67/70/35/1210677035.db2.gz HWUIOFKLPGINBD-NVXWUHKLSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000883640751 1210677673 /nfs/dbraw/zinc/67/76/73/1210677673.db2.gz YAMNEASLOVKJBI-BZUAXINKSA-N 2 0 359.474 0.562 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221123872 1225230359 /nfs/dbraw/zinc/23/03/59/1225230359.db2.gz NIPRKSBZRKGACZ-QZTJIDSGSA-N 2 0 357.502 0.993 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000883659094 1210681973 /nfs/dbraw/zinc/68/19/73/1210681973.db2.gz WXJCNJGLYOOZRU-UHFFFAOYSA-N 2 0 366.506 0.036 20 0 FCADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C[NH+]1CCN(C)CC1 ZINC000884235465 1210725996 /nfs/dbraw/zinc/72/59/96/1210725996.db2.gz VVSHKGMUDNTBDH-MRXNPFEDSA-N 2 0 360.506 0.105 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000884340523 1210731339 /nfs/dbraw/zinc/73/13/39/1210731339.db2.gz KIBZVOKCUFLCHZ-OAHLLOKOSA-N 2 0 358.446 0.812 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884488743 1210738348 /nfs/dbraw/zinc/73/83/48/1210738348.db2.gz FQEWESYBJPLADR-FGTMMUONSA-N 2 0 356.470 0.730 20 0 FCADRP CCN(C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884513627 1210741605 /nfs/dbraw/zinc/74/16/05/1210741605.db2.gz NFWXZUDNTDTIES-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884513626 1210742140 /nfs/dbraw/zinc/74/21/40/1210742140.db2.gz NFWXZUDNTDTIES-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884517684 1210742720 /nfs/dbraw/zinc/74/27/20/1210742720.db2.gz UITNYLIQBJRLEK-ROUUACIJSA-N 2 0 356.470 0.648 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884517812 1210742913 /nfs/dbraw/zinc/74/29/13/1210742913.db2.gz XBHOPQHBIVZLCV-HDICACEKSA-N 2 0 374.460 0.869 20 0 FCADRP CCN(C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000884517990 1210743836 /nfs/dbraw/zinc/74/38/36/1210743836.db2.gz BHUGYSZUDCDRGK-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884533083 1210746527 /nfs/dbraw/zinc/74/65/27/1210746527.db2.gz YTNPLTUALRVFHS-LAQRGFTBSA-N 2 0 370.497 0.832 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884560216 1210751890 /nfs/dbraw/zinc/75/18/90/1210751890.db2.gz QVEMERPTVIKONC-IRXDYDNUSA-N 2 0 356.470 0.512 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884576582 1210754418 /nfs/dbraw/zinc/75/44/18/1210754418.db2.gz KXRQEFFGBXKKEF-OTWHNJEPSA-N 2 0 370.497 0.902 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884577256 1210755419 /nfs/dbraw/zinc/75/54/19/1210755419.db2.gz ANILWCCKJUWJGK-QLFBSQMISA-N 2 0 374.476 0.832 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577432 1210755977 /nfs/dbraw/zinc/75/59/77/1210755977.db2.gz FFQQPFFSGGHYMY-HZPDHXFCSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884592448 1210757945 /nfs/dbraw/zinc/75/79/45/1210757945.db2.gz OCOXBGVLUHSGHL-BVBHFADKSA-N 2 0 370.497 0.976 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884598217 1210758999 /nfs/dbraw/zinc/75/89/99/1210758999.db2.gz VWOZDSQDJIFMAM-MRXNPFEDSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604592 1210760915 /nfs/dbraw/zinc/76/09/15/1210760915.db2.gz LOSQIVIINBXSEC-CNTRQJEFSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000884608924 1210762178 /nfs/dbraw/zinc/76/21/78/1210762178.db2.gz ZMEQKLPYBSZKTP-MDYRTPRTSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626663 1210765824 /nfs/dbraw/zinc/76/58/24/1210765824.db2.gz RHCUHHHUMILPCR-FGTMMUONSA-N 2 0 356.470 0.560 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627632 1210766669 /nfs/dbraw/zinc/76/66/69/1210766669.db2.gz WSENSWGJCJELCI-IAGOWNOFSA-N 2 0 358.486 0.663 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000884647739 1210772532 /nfs/dbraw/zinc/77/25/32/1210772532.db2.gz KHJSHEHIKWBKEP-ZWKOTPCHSA-N 2 0 358.486 0.760 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884670156 1210775569 /nfs/dbraw/zinc/77/55/69/1210775569.db2.gz QFLUZTSSAJKCPV-ULQDDVLXSA-N 2 0 367.538 0.010 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884669939 1210775718 /nfs/dbraw/zinc/77/57/18/1210775718.db2.gz KRLQFLDQDDMYSZ-IAGOWNOFSA-N 2 0 367.538 0.106 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)cc1 ZINC000884669549 1210776269 /nfs/dbraw/zinc/77/62/69/1210776269.db2.gz ZALAHUOIZFASKB-XYJFISCASA-N 2 0 372.469 0.521 20 0 FCADRP O=C(NCCN(Cc1ccccc1)c1ccccn1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000884678155 1210778487 /nfs/dbraw/zinc/77/84/87/1210778487.db2.gz QBDVMVZRXNVTHP-KRWDZBQOSA-N 2 0 367.453 0.683 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680848 1210779483 /nfs/dbraw/zinc/77/94/83/1210779483.db2.gz COQKBBVXRJPABI-ZWKOTPCHSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000884691060 1210780789 /nfs/dbraw/zinc/78/07/89/1210780789.db2.gz VIQVPOBAFUHJSB-YJBOKZPZSA-N 2 0 367.453 0.935 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884691624 1210782747 /nfs/dbraw/zinc/78/27/47/1210782747.db2.gz MTJPOVXIKKXZIQ-LMMKCTJWSA-N 2 0 372.513 0.987 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000884703777 1210782945 /nfs/dbraw/zinc/78/29/45/1210782945.db2.gz KIERZVMYBUKFBF-NVXWUHKLSA-N 2 0 362.474 0.166 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000884698809 1210783090 /nfs/dbraw/zinc/78/30/90/1210783090.db2.gz SPZHIENQZPCCBG-WBVHZDCISA-N 2 0 362.474 0.023 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000884699006 1210783462 /nfs/dbraw/zinc/78/34/62/1210783462.db2.gz WEANZAVGLNJGBN-RHSMWYFYSA-N 2 0 362.474 0.023 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884709705 1210786256 /nfs/dbraw/zinc/78/62/56/1210786256.db2.gz NPSQPOUGHZJQMH-WMLDXEAASA-N 2 0 359.474 0.752 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716274 1210786926 /nfs/dbraw/zinc/78/69/26/1210786926.db2.gz SYGGWVJHUBFJJS-MSOLQXFVSA-N 2 0 358.486 0.944 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000884787091 1210794751 /nfs/dbraw/zinc/79/47/51/1210794751.db2.gz GRIVGEBGRPYYHK-JKSUJKDBSA-N 2 0 366.506 0.250 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000884808599 1210797893 /nfs/dbraw/zinc/79/78/93/1210797893.db2.gz XCJGNGMPOGPAHQ-KRWDZBQOSA-N 2 0 374.485 0.310 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884805687 1210798182 /nfs/dbraw/zinc/79/81/82/1210798182.db2.gz YCQDCTLOTUXXLI-HOCLYGCPSA-N 2 0 357.458 0.520 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884835373 1210800445 /nfs/dbraw/zinc/80/04/45/1210800445.db2.gz QHDGQYDRMWKGJX-BPQIPLTHSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884833851 1210800466 /nfs/dbraw/zinc/80/04/66/1210800466.db2.gz PWHAAEHESGTPMZ-XYVMCAHJSA-N 2 0 358.486 0.819 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884833582 1210800497 /nfs/dbraw/zinc/80/04/97/1210800497.db2.gz MMRVDYPUZXWAJT-NZSAHSFTSA-N 2 0 372.513 0.939 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835498 1210800547 /nfs/dbraw/zinc/80/05/47/1210800547.db2.gz STOZATQGVJSHLZ-NVXWUHKLSA-N 2 0 358.486 0.820 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884884623 1210802943 /nfs/dbraw/zinc/80/29/43/1210802943.db2.gz GRIWGLRRYJVJGK-HNNXBMFYSA-N 2 0 368.522 0.186 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000884965289 1210805713 /nfs/dbraw/zinc/80/57/13/1210805713.db2.gz ZJDBHDYUQWZORC-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000884966078 1210805784 /nfs/dbraw/zinc/80/57/84/1210805784.db2.gz BNTIUPVKDZICQN-HNNXBMFYSA-N 2 0 359.474 0.625 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)C2)cc1 ZINC000884983389 1210806843 /nfs/dbraw/zinc/80/68/43/1210806843.db2.gz QMFPVENXLIJJDW-NXHRZFHOSA-N 2 0 358.486 0.739 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983404 1210807079 /nfs/dbraw/zinc/80/70/79/1210807079.db2.gz QWIDVRPBSZTWOL-MSOLQXFVSA-N 2 0 358.486 0.753 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885148385 1210812614 /nfs/dbraw/zinc/81/26/14/1210812614.db2.gz NIYFAFPZNSUJHD-INIZCTEOSA-N 2 0 366.506 0.250 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157731 1210813606 /nfs/dbraw/zinc/81/36/06/1210813606.db2.gz QUHBTMDIRPHATR-VQIMIIECSA-N 2 0 372.513 0.911 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885162597 1210814278 /nfs/dbraw/zinc/81/42/78/1210814278.db2.gz OWYMJWQGYCOJDM-SFHVURJKSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000885167994 1210814416 /nfs/dbraw/zinc/81/44/16/1210814416.db2.gz RZURUCXOPVBAQO-RBUKOAKNSA-N 2 0 370.497 0.904 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885163034 1210814641 /nfs/dbraw/zinc/81/46/41/1210814641.db2.gz WWYUAVRLZGHWGZ-MAUKXSAKSA-N 2 0 358.486 0.617 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000885204418 1210815637 /nfs/dbraw/zinc/81/56/37/1210815637.db2.gz LWSUWSGGJFQDDF-UHFFFAOYSA-N 2 0 367.538 0.106 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000885290561 1210817574 /nfs/dbraw/zinc/81/75/74/1210817574.db2.gz DWZUTEDZGPXCPT-LSDHHAIUSA-N 2 0 372.460 0.824 20 0 FCADRP CCN(C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000887004812 1210842441 /nfs/dbraw/zinc/84/24/41/1210842441.db2.gz WLNMXQFOGUZFME-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081098 1210846280 /nfs/dbraw/zinc/84/62/80/1210846280.db2.gz LNTPAAWGDVSZCN-UXHICEINSA-N 2 0 362.518 0.923 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)CC[C@@H]21 ZINC000887080734 1210846389 /nfs/dbraw/zinc/84/63/89/1210846389.db2.gz DVACNXDIAUZPKR-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887091663 1210847003 /nfs/dbraw/zinc/84/70/03/1210847003.db2.gz RKQUZIUCEULXNI-HUUCEWRRSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000887091483 1210847007 /nfs/dbraw/zinc/84/70/07/1210847007.db2.gz MCQAXDFBNHPWBX-OXJNMPFZSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000887091215 1210847055 /nfs/dbraw/zinc/84/70/55/1210847055.db2.gz DLBQLKZVDVVHHY-HOTGVXAUSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000887091166 1210847063 /nfs/dbraw/zinc/84/70/63/1210847063.db2.gz BRGJJBJNQCZXGA-RYGJVYDSSA-N 2 0 371.485 0.577 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000887091374 1210847125 /nfs/dbraw/zinc/84/71/25/1210847125.db2.gz ITVRUZLHQGYNIJ-UXLLHSPISA-N 2 0 359.474 0.705 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887091491 1210847139 /nfs/dbraw/zinc/84/71/39/1210847139.db2.gz MHOCWHZEWLUEAS-DOTOQJQBSA-N 2 0 361.490 0.951 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274083525 1210875650 /nfs/dbraw/zinc/87/56/50/1210875650.db2.gz IEBREMAZNBDYFP-YRNRMSPPSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001274195846 1210909144 /nfs/dbraw/zinc/90/91/44/1210909144.db2.gz VZFNKUOCOJWLDJ-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)CC1 ZINC001274204315 1210912150 /nfs/dbraw/zinc/91/21/50/1210912150.db2.gz SZJRJPCHGFFMQK-UHFFFAOYSA-N 2 0 360.458 0.278 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750723 1210947163 /nfs/dbraw/zinc/94/71/63/1210947163.db2.gz OBJDMPNSFAAIRF-RBUKOAKNSA-N 2 0 366.550 0.850 20 0 FCADRP CN1C[C@@H]2CN(C(=O)C[C@H]3COCCN3Cc3ccccc3)C[C@H](C1)O2 ZINC001274694047 1211103662 /nfs/dbraw/zinc/10/36/62/1211103662.db2.gz HMFNFSCYCBRCLZ-GBESFXJTSA-N 2 0 359.470 0.819 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC3CC[NH+]2CC3)CC1 ZINC001274953527 1211151990 /nfs/dbraw/zinc/15/19/90/1211151990.db2.gz QACLNOMTYJOPGK-IXDOHACOSA-N 2 0 360.502 0.767 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC2=O)COCC[N@H+](CC2CC2)C3)CC1 ZINC001275124513 1211176735 /nfs/dbraw/zinc/17/67/35/1211176735.db2.gz VXHWSMMVFJLQBZ-HXUWFJFHSA-N 2 0 364.534 0.585 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171636 1211188315 /nfs/dbraw/zinc/18/83/15/1211188315.db2.gz KUALGDMCGSWZLB-FGTMMUONSA-N 2 0 360.506 0.326 20 0 FCADRP CCc1nccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275453094 1211240525 /nfs/dbraw/zinc/24/05/25/1211240525.db2.gz AIKXJVSQZWFNFO-LJQANCHMSA-N 2 0 359.474 0.942 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](CC(C)(C)N1CCOCC1)CC2 ZINC001275515180 1211253507 /nfs/dbraw/zinc/25/35/07/1211253507.db2.gz IFCIUCIWFFCVOW-KRWDZBQOSA-N 2 0 366.550 0.877 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@H]3C(=O)NC[C@H]3CCC(=O)N3)CC2)CC1 ZINC001275555966 1211255910 /nfs/dbraw/zinc/25/59/10/1211255910.db2.gz ZFONLVGZYMSNRM-SJORKVTESA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@H]3C(=O)NC[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001275555925 1211256109 /nfs/dbraw/zinc/25/61/09/1211256109.db2.gz ZFONLVGZYMSNRM-IRXDYDNUSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCO4)C2)OCC1=O ZINC001275715323 1211274606 /nfs/dbraw/zinc/27/46/06/1211274606.db2.gz OEYFQVWPMHYGGA-FQEVSTJZSA-N 2 0 359.470 0.986 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736081 1211278224 /nfs/dbraw/zinc/27/82/24/1211278224.db2.gz AGOJMYNTVDLPJL-LJQANCHMSA-N 2 0 359.474 0.761 20 0 FCADRP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736758 1211278915 /nfs/dbraw/zinc/27/89/15/1211278915.db2.gz GSVPMIONKPSMPL-LIRRHRJNSA-N 2 0 365.474 0.636 20 0 FCADRP COC(CN1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275743396 1211280406 /nfs/dbraw/zinc/28/04/06/1211280406.db2.gz QJQKNYBAWBIQMJ-IBGZPJMESA-N 2 0 369.506 0.641 20 0 FCADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001221244066 1225280122 /nfs/dbraw/zinc/28/01/22/1225280122.db2.gz PZCKAVBLHSCZOE-FXAWDEMLSA-N 2 0 371.485 0.754 20 0 FCADRP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001275800191 1211285275 /nfs/dbraw/zinc/28/52/75/1211285275.db2.gz AZYDULSATVYCRH-NPYXIHBLSA-N 2 0 361.490 0.581 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4n[nH]cc4c3)C2)OCC1=O ZINC001275867413 1211300837 /nfs/dbraw/zinc/30/08/37/1211300837.db2.gz KTWFYIXQXHGRAB-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221239245 1225278056 /nfs/dbraw/zinc/27/80/56/1225278056.db2.gz KNKIGSIRXHASDS-AUJRIZCKSA-N 2 0 371.485 0.929 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250345 1225281060 /nfs/dbraw/zinc/28/10/60/1225281060.db2.gz GKLHGPRKWIPVCD-FXAWDEMLSA-N 2 0 358.486 0.711 20 0 FCADRP CC(C)[C@@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCN(C)CC1 ZINC000924457080 1211470037 /nfs/dbraw/zinc/47/00/37/1211470037.db2.gz PIBISLPDWDWJGH-IAGOWNOFSA-N 2 0 365.522 0.665 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924567507 1211474035 /nfs/dbraw/zinc/47/40/35/1211474035.db2.gz OGXNDKROLQXIHK-MRXNPFEDSA-N 3 0 360.462 0.076 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1 ZINC000924918802 1211484870 /nfs/dbraw/zinc/48/48/70/1211484870.db2.gz DGBCWZVTEHWBDC-QGZVFWFLSA-N 2 0 374.485 0.363 20 0 FCADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CN1CC[NH+](C)CC1 ZINC000924951579 1211486220 /nfs/dbraw/zinc/48/62/20/1211486220.db2.gz SJFFHPDVWMVRFY-KBPBESRZSA-N 2 0 359.474 0.751 20 0 FCADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924951584 1211486253 /nfs/dbraw/zinc/48/62/53/1211486253.db2.gz SJFFHPDVWMVRFY-UONOGXRCSA-N 2 0 359.474 0.751 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC000926146919 1211518346 /nfs/dbraw/zinc/51/83/46/1211518346.db2.gz XVXPPYQPEMUHRZ-VXNCWWDNSA-N 2 0 363.506 0.654 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632157 1211576301 /nfs/dbraw/zinc/57/63/01/1211576301.db2.gz XEBJXVKKBZJCSU-GDBMZVCRSA-N 2 0 367.494 0.001 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956683 1211614833 /nfs/dbraw/zinc/61/48/33/1211614833.db2.gz UUQZBSVKDZOZDO-TWMKSMIVSA-N 2 0 369.506 0.074 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2O ZINC001221394957 1225306156 /nfs/dbraw/zinc/30/61/56/1225306156.db2.gz KGVUTTFHHITNAX-BBWFWOEESA-N 2 0 374.485 0.943 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000930958239 1211731703 /nfs/dbraw/zinc/73/17/03/1211731703.db2.gz LEFJQQVVMIFUOB-IAGOWNOFSA-N 2 0 359.474 0.897 20 0 FCADRP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431587 1211755663 /nfs/dbraw/zinc/75/56/63/1211755663.db2.gz BCMWVQKMUICMEV-YESZJQIVSA-N 2 0 374.485 0.836 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931611102 1211763841 /nfs/dbraw/zinc/76/38/41/1211763841.db2.gz FYIPOSNOOBZCCI-AWEZNQCLSA-N 2 0 361.490 0.953 20 0 FCADRP CN1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@H+](C)CC1 ZINC000932144281 1211801006 /nfs/dbraw/zinc/80/10/06/1211801006.db2.gz XTNGFNUDBYCDPA-UHFFFAOYSA-N 2 0 363.510 0.861 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111279633 1212224880 /nfs/dbraw/zinc/22/48/80/1212224880.db2.gz FSJOMDXHMYQITN-KURKYZTESA-N 2 0 363.506 0.800 20 0 FCADRP CC(C)[C@H](C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281343 1212232873 /nfs/dbraw/zinc/23/28/73/1212232873.db2.gz OGDBQGHGYRNRHK-HZMVEIRTSA-N 2 0 362.518 0.964 20 0 FCADRP CNC(=O)[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098887 1212291027 /nfs/dbraw/zinc/29/10/27/1212291027.db2.gz JUKVTUMIBYNHQW-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001007479122 1212501511 /nfs/dbraw/zinc/50/15/11/1212501511.db2.gz GDMIUYOTRNNASP-GJYPPUQNSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]cn2)C3)C1 ZINC001007480227 1212502376 /nfs/dbraw/zinc/50/23/76/1212502376.db2.gz SJKJPUYWHWIZHK-DOXZYTNZSA-N 2 0 359.474 0.791 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001111307781 1212530271 /nfs/dbraw/zinc/53/02/71/1212530271.db2.gz WTHGQYHWEVEUEI-KURKYZTESA-N 2 0 368.522 0.593 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001009123640 1212807615 /nfs/dbraw/zinc/80/76/15/1212807615.db2.gz DPCQGBFVWQDXSJ-NNPSNHGLSA-N 2 0 362.518 0.633 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221657039 1225420979 /nfs/dbraw/zinc/42/09/79/1225420979.db2.gz GWFZVIQKTYIBLC-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000954648444 1213098032 /nfs/dbraw/zinc/09/80/32/1213098032.db2.gz KDSPUSSBBLKURA-XLNGHYISSA-N 2 0 366.506 0.105 20 0 FCADRP C[C@@H](CC(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)n1ccnc1 ZINC000954649770 1213098891 /nfs/dbraw/zinc/09/88/91/1213098891.db2.gz WHOXBTQVYVPCOW-SQWLQELKSA-N 2 0 363.462 0.223 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000957091559 1213250015 /nfs/dbraw/zinc/25/00/15/1213250015.db2.gz BRRFYCCMVMNMQF-UNEWFSDZSA-N 2 0 359.474 0.819 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001221682636 1225439596 /nfs/dbraw/zinc/43/95/96/1225439596.db2.gz FQYVTROIYROWIL-UWWQBHOKSA-N 2 0 371.441 0.421 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000957366892 1213295519 /nfs/dbraw/zinc/29/55/19/1213295519.db2.gz HXIIFJKAQPZVHN-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701590 1225447958 /nfs/dbraw/zinc/44/79/58/1225447958.db2.gz WBJFVHQKBKNXIY-MOXMWUHRSA-N 2 0 363.502 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc5c(c4)nnn5C)C[C@H]32)CC[N@@H+]1C ZINC000959970798 1213566086 /nfs/dbraw/zinc/56/60/86/1213566086.db2.gz DBLKAKFBQDOKBH-MNWSSHAISA-N 2 0 368.485 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001010667851 1213807282 /nfs/dbraw/zinc/80/72/82/1213807282.db2.gz QTFBWABQWOTVMX-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21)C1CCC1 ZINC000960532434 1213808261 /nfs/dbraw/zinc/80/82/61/1213808261.db2.gz MGYXNDCWSBTIAE-IXDOHACOSA-N 2 0 364.490 0.003 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[NH+](C)C)c1 ZINC000418837236 1213851166 /nfs/dbraw/zinc/85/11/66/1213851166.db2.gz AAWMKEZIONHPFL-PXNSSMCTSA-N 2 0 374.485 0.769 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001017489070 1214103614 /nfs/dbraw/zinc/10/36/14/1214103614.db2.gz ORSRYWBTTJMEBK-JFIYKMOQSA-N 2 0 362.518 0.943 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000419369915 1214165019 /nfs/dbraw/zinc/16/50/19/1214165019.db2.gz GHCCQXWSKPGINB-HXUWFJFHSA-N 2 0 370.497 0.556 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001019207866 1214216931 /nfs/dbraw/zinc/21/69/31/1214216931.db2.gz XRYMVQDGRHLXQV-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC000961664407 1214260443 /nfs/dbraw/zinc/26/04/43/1214260443.db2.gz ANDAVIHNMJGZLS-HSFUPAIVSA-N 2 0 362.518 0.728 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)cc1 ZINC001221871067 1225515562 /nfs/dbraw/zinc/51/55/62/1225515562.db2.gz VTEQEJZZEBTHOL-RTBURBONSA-N 2 0 361.486 0.903 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@@H+]1C ZINC001020172208 1214316207 /nfs/dbraw/zinc/31/62/07/1214316207.db2.gz QTCCJUJUHPPULO-KCYZZUKISA-N 2 0 369.473 0.739 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961831875 1214321920 /nfs/dbraw/zinc/32/19/20/1214321920.db2.gz CEALOSHOGLOPRK-JGLNRKDHSA-N 2 0 370.497 0.466 20 0 FCADRP COc1coc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC000961856012 1214337017 /nfs/dbraw/zinc/33/70/17/1214337017.db2.gz DULOGGKQUXZMEA-UWLZSVRSSA-N 2 0 363.458 0.973 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040182888 1214472693 /nfs/dbraw/zinc/47/26/93/1214472693.db2.gz WFPUEJFMQPCOEJ-CLCXKQKWSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040428927 1214508840 /nfs/dbraw/zinc/50/88/40/1214508840.db2.gz DGCRKRKXFCVNDW-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000963067526 1214724139 /nfs/dbraw/zinc/72/41/39/1214724139.db2.gz HJDVTJQUWNMUDK-IKGGRYGDSA-N 2 0 366.506 0.031 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000963338030 1214797970 /nfs/dbraw/zinc/79/79/70/1214797970.db2.gz NUQVGZQZHLSCFI-XSCHDIRWSA-N 2 0 364.494 0.308 20 0 FCADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000967994211 1215269234 /nfs/dbraw/zinc/26/92/34/1215269234.db2.gz UCMCBSPITDDNJZ-ZTFGCOKTSA-N 2 0 362.518 0.728 20 0 FCADRP c1c(CN2CCOC[C@@]3(C[NH2+]CCO3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222191532 1225609862 /nfs/dbraw/zinc/60/98/62/1225609862.db2.gz MTNJWZQQNPQYOI-HXUWFJFHSA-N 2 0 356.470 0.935 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1ccnc1)C2=O ZINC001276828122 1225610352 /nfs/dbraw/zinc/61/03/52/1225610352.db2.gz QXNRUGHWTZTMAJ-MAUKXSAKSA-N 2 0 364.446 0.264 20 0 FCADRP O=C1NCC[C@@]12C[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520792 1225630983 /nfs/dbraw/zinc/63/09/83/1225630983.db2.gz JXCRYWBSOBKVNZ-HXUWFJFHSA-N 3 0 355.486 0.008 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3(CF)CC3)CC2)CC[N@@H+]1C ZINC001055640827 1215894249 /nfs/dbraw/zinc/89/42/49/1215894249.db2.gz IOLPXJRJYZCUSK-GDBMZVCRSA-N 2 0 368.497 0.773 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055643184 1215894549 /nfs/dbraw/zinc/89/45/49/1215894549.db2.gz YDDVTONCZRZJIT-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055646977 1215897349 /nfs/dbraw/zinc/89/73/49/1215897349.db2.gz KMUDIWONGQNWNX-QAPCUYQASA-N 2 0 368.522 0.448 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056032532 1215939828 /nfs/dbraw/zinc/93/98/28/1215939828.db2.gz MKWXLDPOFAFHDH-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CC(=O)NC4CC4)CC3)CC2)CC[N@@H+]1C ZINC001000162414 1216013985 /nfs/dbraw/zinc/01/39/85/1216013985.db2.gz WCMLPIGJBMAXOM-RHSMWYFYSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001000700979 1216108131 /nfs/dbraw/zinc/10/81/31/1216108131.db2.gz AYTBVVALKKXKQC-HYVNUMGLSA-N 2 0 358.490 0.854 20 0 FCADRP CC[C@@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276850829 1225668261 /nfs/dbraw/zinc/66/82/61/1225668261.db2.gz GPLVNQCSCXIOOT-UYAOXDASSA-N 2 0 366.550 0.973 20 0 FCADRP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)c1 ZINC001051622760 1216467520 /nfs/dbraw/zinc/46/75/20/1216467520.db2.gz XRVZWPNWEVDMCB-ZTFGCOKTSA-N 2 0 362.474 0.747 20 0 FCADRP COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051623335 1216468371 /nfs/dbraw/zinc/46/83/71/1216468371.db2.gz FLVMHSXYIYYQQB-VNQPRFMTSA-N 2 0 363.462 0.142 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001051624210 1216468394 /nfs/dbraw/zinc/46/83/94/1216468394.db2.gz NGFCOHCNSRANHQ-OKZBNKHCSA-N 2 0 363.506 0.776 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738648 1216529241 /nfs/dbraw/zinc/52/92/41/1216529241.db2.gz DPYQHTHSXVSXAJ-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223116078 1225682385 /nfs/dbraw/zinc/68/23/85/1225682385.db2.gz RLLNGTZFPXGVPF-QAPCUYQASA-N 2 0 358.442 0.880 20 0 FCADRP C[C@H](CCN1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCN(CCO)C(C)(C)C1 ZINC000682035197 1216656320 /nfs/dbraw/zinc/65/63/20/1216656320.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 0 370.582 0.542 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068873504 1216763930 /nfs/dbraw/zinc/76/39/30/1216763930.db2.gz BISXLLGEAGDVRS-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046837 1216921872 /nfs/dbraw/zinc/92/18/72/1216921872.db2.gz REBWOCQMNDPURI-UAGQMJEPSA-N 2 0 364.494 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223697717 1225727597 /nfs/dbraw/zinc/72/75/97/1225727597.db2.gz ILGAGGUPEROXRL-KURKYZTESA-N 2 0 363.506 0.509 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846318 1225739730 /nfs/dbraw/zinc/73/97/30/1225739730.db2.gz DCVJBQFNWROGNA-KURKYZTESA-N 2 0 363.506 0.509 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985031 1225750294 /nfs/dbraw/zinc/75/02/94/1225750294.db2.gz NVQADHGHWSCADE-KURKYZTESA-N 2 0 363.506 0.509 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001043271293 1217623452 /nfs/dbraw/zinc/62/34/52/1217623452.db2.gz FNKFETFIFSDXCR-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001045445140 1217929856 /nfs/dbraw/zinc/92/98/56/1217929856.db2.gz VGSOZBUSJRHBAV-IXDOHACOSA-N 2 0 363.506 0.555 20 0 FCADRP Cn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)c1=O ZINC000900455577 1217991214 /nfs/dbraw/zinc/99/12/14/1217991214.db2.gz WATDEMBICRWTNM-UHFFFAOYSA-N 2 0 358.446 0.061 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276981866 1225784914 /nfs/dbraw/zinc/78/49/14/1225784914.db2.gz IKUZEJDUKABAAW-YLJYHZDGSA-N 2 0 358.486 0.612 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900696781 1218027038 /nfs/dbraw/zinc/02/70/38/1218027038.db2.gz WQVCHEZNPKTCLX-LJQANCHMSA-N 2 0 367.582 0.792 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000900724697 1218030730 /nfs/dbraw/zinc/03/07/30/1218030730.db2.gz AYCMDGPKEQCWFR-IBGZPJMESA-N 2 0 365.566 0.641 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCC2(F)F)CC[N@@H+]1C ZINC001046944236 1218089024 /nfs/dbraw/zinc/08/90/24/1218089024.db2.gz LFPDGQZURZSGGE-RBSFLKMASA-N 2 0 370.448 0.692 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)c2ccnn2CC[NH+](C)C)ccn1 ZINC000901254936 1218101433 /nfs/dbraw/zinc/10/14/33/1218101433.db2.gz GVBIAUDHEJUSGL-UHFFFAOYSA-N 2 0 360.462 0.710 20 0 FCADRP Cc1noc(CCC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001047386257 1218137860 /nfs/dbraw/zinc/13/78/60/1218137860.db2.gz PUNKVXIBQVBVQG-OJLVUWQFSA-N 2 0 365.478 0.154 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386509 1218138128 /nfs/dbraw/zinc/13/81/28/1218138128.db2.gz XVFCFNADAGDDEP-MHORFTMASA-N 2 0 363.506 0.196 20 0 FCADRP COc1c[nH]c(CO)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1=O ZINC000902172027 1218220108 /nfs/dbraw/zinc/22/01/08/1218220108.db2.gz UQTPWVYSBURZHX-UHFFFAOYSA-N 2 0 365.474 0.953 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001096355863 1218262396 /nfs/dbraw/zinc/26/23/96/1218262396.db2.gz FHOSZNZVXPRACX-WCVJEAGWSA-N 2 0 356.474 0.583 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048923259 1218341788 /nfs/dbraw/zinc/34/17/88/1218341788.db2.gz MICPQWDWNBZVIJ-NCOADZHNSA-N 2 0 368.522 0.089 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541321 1218429039 /nfs/dbraw/zinc/42/90/39/1218429039.db2.gz NCJNIGWCZKTFCE-BRWVUGGUSA-N 2 0 366.506 0.202 20 0 FCADRP O=C1[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCN1C1CCOCC1 ZINC000903508380 1218430900 /nfs/dbraw/zinc/43/09/00/1218430900.db2.gz DZUVIWJGUXMOTB-OTWHNJEPSA-N 2 0 362.518 0.667 20 0 FCADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734219 1218511353 /nfs/dbraw/zinc/51/13/53/1218511353.db2.gz WDGKSWSRUNDDMJ-HNNXBMFYSA-N 2 0 371.489 0.644 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903780593 1218524856 /nfs/dbraw/zinc/52/48/56/1218524856.db2.gz JNLLJEJORMJEKI-NUABRCLCSA-N 2 0 365.518 0.887 20 0 FCADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980077 1218580084 /nfs/dbraw/zinc/58/00/84/1218580084.db2.gz GIDQJOPXAJZZLH-KURKYZTESA-N 3 0 359.522 0.603 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226324142 1225840597 /nfs/dbraw/zinc/84/05/97/1225840597.db2.gz YEFYGKLCTCBWDJ-QBPKDAKJSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001097718779 1218840481 /nfs/dbraw/zinc/84/04/81/1218840481.db2.gz PNNMXEZJUXDKFH-SIRPWMCASA-N 2 0 363.506 0.463 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732089 1218861670 /nfs/dbraw/zinc/86/16/70/1218861670.db2.gz XUYVNVUXVMPTLI-KURKYZTESA-N 2 0 358.486 0.788 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001227149651 1225864912 /nfs/dbraw/zinc/86/49/12/1225864912.db2.gz AUEQVEIDMUFHCE-ZIAGYGMSSA-N 2 0 367.494 0.286 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)CC)C[C@H]3C2)CC[N@@H+]1C ZINC001055358783 1219033659 /nfs/dbraw/zinc/03/36/59/1219033659.db2.gz LQGXSNDZGVKMIW-XWTMOSNGSA-N 2 0 364.534 0.975 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065796 1225863026 /nfs/dbraw/zinc/86/30/26/1225863026.db2.gz MNQXZBZDYULQRX-GVDBMIGSSA-N 2 0 371.522 0.369 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3CC=CC3)CC2)CC[N@@H+]1C ZINC001055550238 1219076352 /nfs/dbraw/zinc/07/63/52/1219076352.db2.gz ZMEYMIFJQHBHKT-CRAIPNDOSA-N 2 0 362.518 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ncc[nH]3)CC2)CC[N@@H+]1C ZINC001055573607 1219083354 /nfs/dbraw/zinc/08/33/54/1219083354.db2.gz DMFGMCIPCLROQY-UKRRQHHQSA-N 2 0 362.478 0.060 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227092339 1225863924 /nfs/dbraw/zinc/86/39/24/1225863924.db2.gz SORRBHCKZPNEFZ-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP CC[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055610737 1219098106 /nfs/dbraw/zinc/09/81/06/1219098106.db2.gz UOCARKADMZTZFH-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055610647 1219098119 /nfs/dbraw/zinc/09/81/19/1219098119.db2.gz PRMRCCRALUNLRL-OXQOHEQNSA-N 2 0 362.518 0.969 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804051828 1219104284 /nfs/dbraw/zinc/10/42/84/1219104284.db2.gz VUVNAEAGPCRINK-ZACQAIPSSA-N 2 0 366.506 0.060 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000804058137 1219111765 /nfs/dbraw/zinc/11/17/65/1219111765.db2.gz SZBIUWBOELAWBT-BRWVUGGUSA-N 2 0 364.490 0.053 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059050 1219111780 /nfs/dbraw/zinc/11/17/80/1219111780.db2.gz JWUHPNZQGDQOLK-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158491 1219244870 /nfs/dbraw/zinc/24/48/70/1219244870.db2.gz MTSXSROBYFDOIR-KURKYZTESA-N 2 0 369.473 0.617 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070213737 1219297238 /nfs/dbraw/zinc/29/72/38/1219297238.db2.gz VRFFTGYDBAMHRN-SQNIBIBYSA-N 2 0 371.489 0.801 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070275310 1219342273 /nfs/dbraw/zinc/34/22/73/1219342273.db2.gz FYEKAVDGYCVRJC-KEYYUXOJSA-N 2 0 370.448 0.802 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276732 1219343161 /nfs/dbraw/zinc/34/31/61/1219343161.db2.gz XQCMZNDMMZFHRK-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001227967777 1225892406 /nfs/dbraw/zinc/89/24/06/1225892406.db2.gz UJDWDNFSZZFMRP-YLFCFFPRSA-N 2 0 366.506 0.081 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001070354289 1219390959 /nfs/dbraw/zinc/39/09/59/1219390959.db2.gz BASRDDSAUWDADC-KKUMJFAQSA-N 2 0 362.478 0.245 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)n1 ZINC001070357332 1219394704 /nfs/dbraw/zinc/39/47/04/1219394704.db2.gz IJUOAXVDVWSZTC-KKUMJFAQSA-N 2 0 364.494 0.777 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227899720 1225889877 /nfs/dbraw/zinc/88/98/77/1225889877.db2.gz BRODRWNDPOHATN-ZIAGYGMSSA-N 2 0 367.494 0.333 20 0 FCADRP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001070381584 1219406536 /nfs/dbraw/zinc/40/65/36/1219406536.db2.gz JNRUIPKQRHOVGB-AEFFLSMTSA-N 2 0 362.518 0.968 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070565067 1219471469 /nfs/dbraw/zinc/47/14/69/1219471469.db2.gz CQLLLTIOMSBEME-FUHWJXTLSA-N 2 0 371.489 0.334 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070564150 1219471582 /nfs/dbraw/zinc/47/15/82/1219471582.db2.gz XHLMZPSUJQNMIB-JENIJYKNSA-N 2 0 368.485 0.851 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629833 1219494251 /nfs/dbraw/zinc/49/42/51/1219494251.db2.gz TUGMIVRVNBIASU-ZACQAIPSSA-N 2 0 371.489 0.332 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070655223 1219509989 /nfs/dbraw/zinc/50/99/89/1219509989.db2.gz AOWYBLINTUOZJY-BRWVUGGUSA-N 2 0 363.506 0.274 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070680747 1219522512 /nfs/dbraw/zinc/52/25/12/1219522512.db2.gz AGFWFNAVOHQAER-BRWVUGGUSA-N 2 0 363.506 0.418 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070697471 1219530054 /nfs/dbraw/zinc/53/00/54/1219530054.db2.gz DWZKYXIENNZFDF-BRWVUGGUSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719269 1219541336 /nfs/dbraw/zinc/54/13/36/1219541336.db2.gz WPBUUAWAZDXXAZ-BRWVUGGUSA-N 2 0 371.489 0.190 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070719125 1219541381 /nfs/dbraw/zinc/54/13/81/1219541381.db2.gz TXLUBBJEWJOSJA-KZNAEPCWSA-N 2 0 368.485 0.851 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001070718970 1219541453 /nfs/dbraw/zinc/54/14/53/1219541453.db2.gz MZUKBNHYMKYPAV-BZUAXINKSA-N 2 0 367.469 0.242 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070923003 1219580744 /nfs/dbraw/zinc/58/07/44/1219580744.db2.gz RBLGWUJKBBZHAH-XHSDSOJGSA-N 2 0 362.474 0.598 20 0 FCADRP CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001071075611 1219600614 /nfs/dbraw/zinc/60/06/14/1219600614.db2.gz LDWARTBLODKKJA-WBVHZDCISA-N 2 0 366.506 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCCC2)C3)CC[N@@H+]1C ZINC001072754968 1219621475 /nfs/dbraw/zinc/62/14/75/1219621475.db2.gz MYRMOEJIAXHPDL-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255151 1225904174 /nfs/dbraw/zinc/90/41/74/1225904174.db2.gz QOHFRZSUUOOXMY-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCc3ccnn3C)CCCO2)CC[N@@H+]1C ZINC001073610908 1219672599 /nfs/dbraw/zinc/67/25/99/1219672599.db2.gz HTSJPLVZSCNYIW-BPQIPLTHSA-N 2 0 363.506 0.510 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001098225194 1219744396 /nfs/dbraw/zinc/74/43/96/1219744396.db2.gz YLDVZQNYMISGNT-VQHPVUNQSA-N 2 0 359.474 0.061 20 0 FCADRP COCCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371572 1219768269 /nfs/dbraw/zinc/76/82/69/1219768269.db2.gz YYMDYINAPGLQJC-SJLPKXTDSA-N 2 0 371.522 0.275 20 0 FCADRP CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749361713 1219792596 /nfs/dbraw/zinc/79/25/96/1219792596.db2.gz CXMIABKELBZHLP-MOPGFXCFSA-N 2 0 368.566 0.296 20 0 FCADRP CC1(C)CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749361728 1219792773 /nfs/dbraw/zinc/79/27/73/1219792773.db2.gz CXMIABKELBZHLP-OALUTQOASA-N 2 0 368.566 0.296 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCN(C)C2=O)C3)CC1 ZINC001099093231 1219909383 /nfs/dbraw/zinc/90/93/83/1219909383.db2.gz YBPSHPNZNIYTEW-ZWOKBUDYSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2)C12CC[NH+](CC1)C2 ZINC001099122654 1219921086 /nfs/dbraw/zinc/92/10/86/1219921086.db2.gz FAJGILBBERNDBJ-FTRWYGJKSA-N 2 0 370.501 0.832 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099122631 1219921755 /nfs/dbraw/zinc/92/17/55/1219921755.db2.gz DKNIHPMOUMOCFT-FTRWYGJKSA-N 2 0 360.502 0.674 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1=O ZINC001099159518 1219935531 /nfs/dbraw/zinc/93/55/31/1219935531.db2.gz HAOHLDASKAJANL-ZWOKBUDYSA-N 2 0 358.486 0.808 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1 ZINC001099446382 1219998902 /nfs/dbraw/zinc/99/89/02/1219998902.db2.gz OBWANKFAHFUYHX-WDYCEAGBSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncn3C)C2)C1 ZINC001099500584 1220016307 /nfs/dbraw/zinc/01/63/07/1220016307.db2.gz WWJBHOULLWQCTC-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001099517863 1220020835 /nfs/dbraw/zinc/02/08/35/1220020835.db2.gz IJYCEPOICGBJBN-QKLQHJQFSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001228623698 1225936838 /nfs/dbraw/zinc/93/68/38/1225936838.db2.gz HMDKPENGOWESMP-KFWWJZLASA-N 2 0 366.506 0.787 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342867 1220295226 /nfs/dbraw/zinc/29/52/26/1220295226.db2.gz QSROHIBFOXKSQG-KHYOSLBOSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101362734 1220301110 /nfs/dbraw/zinc/30/11/10/1220301110.db2.gz BIBYDSYXQHNNDI-GLJUWKHASA-N 2 0 367.494 0.082 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364322 1220303112 /nfs/dbraw/zinc/30/31/12/1220303112.db2.gz RHSJHGBQVAKWAG-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101417409 1220332231 /nfs/dbraw/zinc/33/22/31/1220332231.db2.gz MWWDJPAYQSUCSP-BEFAXECRSA-N 2 0 364.490 0.258 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431302 1220340191 /nfs/dbraw/zinc/34/01/91/1220340191.db2.gz JEACMZTVFZMKCX-FCEWJHQRSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001228924414 1225963532 /nfs/dbraw/zinc/96/35/32/1225963532.db2.gz BPFPIROZBXFSCW-RRFJBIMHSA-N 2 0 367.494 0.463 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815350 1220408525 /nfs/dbraw/zinc/40/85/25/1220408525.db2.gz CPYLEFLZMYDTOQ-OAGGEKHMSA-N 2 0 367.538 0.862 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982871 1220452904 /nfs/dbraw/zinc/45/29/04/1220452904.db2.gz ORVQWPBHLGDTQP-NRSFXHEJSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051817 1220479596 /nfs/dbraw/zinc/47/95/96/1220479596.db2.gz OBFFFOZYMKTYMC-HUUCEWRRSA-N 2 0 364.490 0.304 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108282 1220498871 /nfs/dbraw/zinc/49/88/71/1220498871.db2.gz FCCGDXXESRYDJF-OWCLPIDISA-N 2 0 361.490 0.727 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171333 1220532743 /nfs/dbraw/zinc/53/27/43/1220532743.db2.gz RXZOPPUYYTZQSN-MJQPBPLVSA-N 2 0 365.518 0.959 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213312 1220555303 /nfs/dbraw/zinc/55/53/03/1220555303.db2.gz APGNXOVEPRCTEV-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287254 1220573815 /nfs/dbraw/zinc/57/38/15/1220573815.db2.gz UUOQRWMUBJXBEE-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292569 1220575844 /nfs/dbraw/zinc/57/58/44/1220575844.db2.gz TUKOZCSBLBPKPO-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290505 1220576159 /nfs/dbraw/zinc/57/61/59/1220576159.db2.gz HMSJSORWVLNKDH-HZPDHXFCSA-N 2 0 367.538 0.720 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320681 1220582122 /nfs/dbraw/zinc/58/21/22/1220582122.db2.gz NWXDRZNLGXBUGS-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314635 1220582141 /nfs/dbraw/zinc/58/21/41/1220582141.db2.gz SOEJVQACCCCZNB-NVXWUHKLSA-N 2 0 361.490 0.334 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001102356508 1220591330 /nfs/dbraw/zinc/59/13/30/1220591330.db2.gz MVNDUPFDDHWZAK-RBSFLKMASA-N 2 0 366.510 0.413 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366559 1220593394 /nfs/dbraw/zinc/59/33/94/1220593394.db2.gz JOWDPAYTKGHJJL-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368338 1220595716 /nfs/dbraw/zinc/59/57/16/1220595716.db2.gz PXTUVDHDGUADMQ-SOLBZPMBSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377333 1220599870 /nfs/dbraw/zinc/59/98/70/1220599870.db2.gz ZWESZODLAJVNSW-HZSPNIEDSA-N 2 0 369.510 0.232 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479771 1220646793 /nfs/dbraw/zinc/64/67/93/1220646793.db2.gz HDLUNMBWZZBALM-SJLPKXTDSA-N 2 0 364.534 0.929 20 0 FCADRP CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511090 1220670483 /nfs/dbraw/zinc/67/04/83/1220670483.db2.gz IUIUYEWOIRBDLW-GDBMZVCRSA-N 2 0 366.510 0.369 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514470 1220673734 /nfs/dbraw/zinc/67/37/34/1220673734.db2.gz YGFXELUAIYCMMR-IXDOHACOSA-N 2 0 364.534 0.927 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514049 1220673981 /nfs/dbraw/zinc/67/39/81/1220673981.db2.gz KTAAQCQIZZRRCF-KBAYOESNSA-N 2 0 368.522 0.165 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102524503 1220680863 /nfs/dbraw/zinc/68/08/63/1220680863.db2.gz JACNIORTAGOJLR-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580585 1220704293 /nfs/dbraw/zinc/70/42/93/1220704293.db2.gz CWGCBCPNPRBZMN-IXDOHACOSA-N 2 0 368.522 0.163 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102601836 1220723401 /nfs/dbraw/zinc/72/34/01/1220723401.db2.gz RTOWFFJZTINHGY-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780449 1220781885 /nfs/dbraw/zinc/78/18/85/1220781885.db2.gz BTGVHIYITWSYHV-OAGGEKHMSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977177 1220814860 /nfs/dbraw/zinc/81/48/60/1220814860.db2.gz PTBQLKGOSVSXSM-KFWWJZLASA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[NH+]1C ZINC001103003425 1220818998 /nfs/dbraw/zinc/81/89/98/1220818998.db2.gz PQDARZGBUCRJCI-KBUPBQIOSA-N 2 0 364.494 0.023 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089812 1220831353 /nfs/dbraw/zinc/83/13/53/1220831353.db2.gz BTYVGJPAONVGDA-ZIAGYGMSSA-N 2 0 364.494 0.167 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103111862 1220835733 /nfs/dbraw/zinc/83/57/33/1220835733.db2.gz RMXXVGQWYINTKI-ZACQAIPSSA-N 2 0 367.538 0.672 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001103140065 1220840044 /nfs/dbraw/zinc/84/00/44/1220840044.db2.gz LLPMPIWHEFYTKZ-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380447 1220874187 /nfs/dbraw/zinc/87/41/87/1220874187.db2.gz XEBQFNMHERQUCZ-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396639 1220877151 /nfs/dbraw/zinc/87/71/51/1220877151.db2.gz BRSPFPMWIUXGEM-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584219 1220908526 /nfs/dbraw/zinc/90/85/26/1220908526.db2.gz HVZQNKQQTNEJCG-INMHGKMJSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103641827 1220924657 /nfs/dbraw/zinc/92/46/57/1220924657.db2.gz FXTWWCVMVSZHEC-IXDOHACOSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642106 1220926305 /nfs/dbraw/zinc/92/63/05/1220926305.db2.gz QZLSDTKMBFJTBD-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662815 1220932330 /nfs/dbraw/zinc/93/23/30/1220932330.db2.gz SUNAYRGDFLVICN-BZUAXINKSA-N 2 0 366.506 0.598 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103665841 1220934090 /nfs/dbraw/zinc/93/40/90/1220934090.db2.gz WIGOUUQACIQZIR-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719272 1220952298 /nfs/dbraw/zinc/95/22/98/1220952298.db2.gz XIAKOJKHZKPQBQ-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723277 1220952374 /nfs/dbraw/zinc/95/23/74/1220952374.db2.gz BPWVOQJUAYGYNQ-KURKYZTESA-N 2 0 363.506 0.414 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722433 1220952601 /nfs/dbraw/zinc/95/26/01/1220952601.db2.gz NCHNFWYIRVPUOZ-IAGOWNOFSA-N 2 0 368.522 0.309 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723591 1220952830 /nfs/dbraw/zinc/95/28/30/1220952830.db2.gz SLFWXDAFBAMFLM-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751645 1220964066 /nfs/dbraw/zinc/96/40/66/1220964066.db2.gz KTWHHXJJPIIBNZ-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CCO ZINC001104206156 1221021828 /nfs/dbraw/zinc/02/18/28/1221021828.db2.gz ORSKFWHTVSIYQB-OWYHZJEWSA-N 2 0 367.534 0.800 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112285481 1221230350 /nfs/dbraw/zinc/23/03/50/1221230350.db2.gz ZCRNOTHVEFKQHX-QKLQHJQFSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001112358826 1221245648 /nfs/dbraw/zinc/24/56/48/1221245648.db2.gz UZRWCOSFDVSAES-BXWFABGCSA-N 2 0 363.506 0.657 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001112448166 1221261692 /nfs/dbraw/zinc/26/16/92/1221261692.db2.gz GOLOYHZDFBGFTH-KXBFYZLASA-N 2 0 355.442 0.912 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)Nc1ccon1 ZINC001229717879 1226030329 /nfs/dbraw/zinc/03/03/29/1226030329.db2.gz ZVRUQEWKCGJJAG-ZIAGYGMSSA-N 2 0 361.446 0.726 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C1CC1 ZINC001229717743 1226030410 /nfs/dbraw/zinc/03/04/10/1226030410.db2.gz XETDDNUEKBWJAD-USXIJHARSA-N 2 0 368.522 0.496 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001117956488 1221666973 /nfs/dbraw/zinc/66/69/73/1221666973.db2.gz YTLGZUUKORZZGM-HZPDHXFCSA-N 2 0 373.501 0.894 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001118035196 1221692276 /nfs/dbraw/zinc/69/22/76/1221692276.db2.gz PKKSNECUNJONSA-BSDSXHPESA-N 2 0 358.486 0.929 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118218443 1221736089 /nfs/dbraw/zinc/73/60/89/1221736089.db2.gz GWRIQWGZQXNVPU-INIZCTEOSA-N 2 0 362.478 0.576 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC001118221404 1221736744 /nfs/dbraw/zinc/73/67/44/1221736744.db2.gz BECPIBMSISZQLR-AWEZNQCLSA-N 2 0 361.446 0.044 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001230274668 1226070933 /nfs/dbraw/zinc/07/09/33/1226070933.db2.gz FIHCGJHLQDLJNO-KFWWJZLASA-N 2 0 367.494 0.333 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001119296125 1221898130 /nfs/dbraw/zinc/89/81/30/1221898130.db2.gz MLVDNFOAQBVKBV-ICSRJNTNSA-N 2 0 360.502 0.817 20 0 FCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119318453 1221898970 /nfs/dbraw/zinc/89/89/70/1221898970.db2.gz YABCEUDVZYRLMI-XVLXNVKGSA-N 2 0 364.534 0.820 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362804 1221906722 /nfs/dbraw/zinc/90/67/22/1221906722.db2.gz PKVVELYAZUHAPL-JZXOWHBKSA-N 2 0 360.502 0.985 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119414611 1221913931 /nfs/dbraw/zinc/91/39/31/1221913931.db2.gz JDVSNSGUBUHOTK-KRWDZBQOSA-N 2 0 356.470 0.560 20 0 FCADRP C([NH+]1CC[C@@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999355 /nfs/dbraw/zinc/99/93/55/1221999355.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 2 0 368.474 0.393 20 0 FCADRP CCN1CCC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC001120560194 1222104851 /nfs/dbraw/zinc/10/48/51/1222104851.db2.gz HIHQLTTULKLBSO-IXDOHACOSA-N 2 0 363.506 0.608 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001121921951 1222224042 /nfs/dbraw/zinc/22/40/42/1222224042.db2.gz WUGNDSWWGAGAGB-LJQANCHMSA-N 2 0 359.518 0.166 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C12CCC(CC1)[NH2+]2 ZINC001121929181 1222225728 /nfs/dbraw/zinc/22/57/28/1222225728.db2.gz XZZQPZQHHHGDEH-UHFFFAOYSA-N 2 0 358.490 0.780 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630386 1222344927 /nfs/dbraw/zinc/34/49/27/1222344927.db2.gz ICGFXDWEGZCXEI-CJNGLKHVSA-N 2 0 373.457 0.483 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630388 1222344965 /nfs/dbraw/zinc/34/49/65/1222344965.db2.gz ICGFXDWEGZCXEI-XJKSGUPXSA-N 2 0 373.457 0.483 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnn(CCO)c1 ZINC001123634818 1222346324 /nfs/dbraw/zinc/34/63/24/1222346324.db2.gz AFCNIMISOJCNGV-UHFFFAOYSA-N 2 0 358.446 0.213 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC001123769894 1222356005 /nfs/dbraw/zinc/35/60/05/1222356005.db2.gz PJXLGUBWDFSCMR-GSEOLPGOSA-N 2 0 372.513 0.374 20 0 FCADRP CCC[NH+](CCC)CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231770123 1226126423 /nfs/dbraw/zinc/12/64/23/1226126423.db2.gz FWNGMEHSHSCTBK-UHFFFAOYSA-N 2 0 365.522 0.324 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585593 1222580825 /nfs/dbraw/zinc/58/08/25/1222580825.db2.gz ICPXQZJIKBZARI-YVSFHVDLSA-N 2 0 366.506 0.297 20 0 FCADRP O=C(N[C@@H]1CN(Cc2cnc3cc[nH]cc2-3)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001140803802 1222614912 /nfs/dbraw/zinc/61/49/12/1222614912.db2.gz XGSLEAWBDYBOOM-ZTFGCOKTSA-N 2 0 364.409 0.982 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)NC(=O)NC4=O)cn2)CC1 ZINC001232362336 1226148456 /nfs/dbraw/zinc/14/84/56/1226148456.db2.gz RNWXSIUGQXWZBJ-UHFFFAOYSA-N 2 0 358.446 0.007 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841071563 1222807078 /nfs/dbraw/zinc/80/70/78/1222807078.db2.gz PMGSGLWTPOWRCU-YOEHRIQHSA-N 2 0 360.458 0.905 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841137240 1222809558 /nfs/dbraw/zinc/80/95/58/1222809558.db2.gz SLIDJQHPXGIVGA-LJQANCHMSA-N 2 0 360.458 0.907 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841159439 1222810909 /nfs/dbraw/zinc/81/09/09/1222810909.db2.gz FSMFOYFZLJBGHN-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841164467 1222811582 /nfs/dbraw/zinc/81/15/82/1222811582.db2.gz IJSQFXCQNPDANS-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000841164609 1222811599 /nfs/dbraw/zinc/81/15/99/1222811599.db2.gz VAAUXQSBJUHMRX-KRWDZBQOSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[NH2+]1 ZINC000841174467 1222812112 /nfs/dbraw/zinc/81/21/12/1222812112.db2.gz YXKWWXNXROJJSL-OAHLLOKOSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000841183019 1222812437 /nfs/dbraw/zinc/81/24/37/1222812437.db2.gz QPZPBBIWVCRPAH-KRWDZBQOSA-N 2 0 361.490 0.867 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841197245 1222812914 /nfs/dbraw/zinc/81/29/14/1222812914.db2.gz CNDZSLCNKWUSFH-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000841200534 1222813192 /nfs/dbraw/zinc/81/31/92/1222813192.db2.gz OXLQVEINHNFITN-CVEARBPZSA-N 2 0 373.501 0.963 20 0 FCADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842088024 1222835308 /nfs/dbraw/zinc/83/53/08/1222835308.db2.gz ILICIEUAOQVTLD-AEFFLSMTSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191006 1222839615 /nfs/dbraw/zinc/83/96/15/1222839615.db2.gz VUDYNCJNFIEOIX-PXNSSMCTSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191070 1222839780 /nfs/dbraw/zinc/83/97/80/1222839780.db2.gz WOGOSRUYXWDUOO-XLIONFOSSA-N 2 0 358.486 0.883 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842231163 1222843259 /nfs/dbraw/zinc/84/32/59/1222843259.db2.gz OKBSEFWEMRGFQS-IBGZPJMESA-N 2 0 372.513 0.994 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C)n1 ZINC001277689960 1226158403 /nfs/dbraw/zinc/15/84/03/1226158403.db2.gz MRVFVGQLJLJYTI-IBGZPJMESA-N 2 0 362.474 0.764 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000843261983 1222867825 /nfs/dbraw/zinc/86/78/25/1222867825.db2.gz PSWVOJAWXQFJCG-IRXDYDNUSA-N 2 0 368.522 0.506 20 0 FCADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346688 1222870906 /nfs/dbraw/zinc/87/09/06/1222870906.db2.gz GTDCQBOHIQTNSW-VXGBXAGGSA-N 2 0 374.445 0.382 20 0 FCADRP C[NH+]1CCN(CCC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001143230115 1222871712 /nfs/dbraw/zinc/87/17/12/1222871712.db2.gz DGHVCCCMRJSTES-UHFFFAOYSA-N 2 0 371.485 0.480 20 0 FCADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCOc1ccc2c(c1)OCO2 ZINC000843363974 1222873918 /nfs/dbraw/zinc/87/39/18/1222873918.db2.gz ZOVAZTFKRCQZHF-UHFFFAOYSA-N 2 0 361.442 0.986 20 0 FCADRP CC[C@@H](C(N)=O)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151138086 1222917843 /nfs/dbraw/zinc/91/78/43/1222917843.db2.gz SZXKGSZQPJLWEW-OAGGEKHMSA-N 2 0 368.522 0.578 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC1=O ZINC001151458674 1222929044 /nfs/dbraw/zinc/92/90/44/1222929044.db2.gz LPQGSXBJFMGQQO-GOSISDBHSA-N 2 0 370.497 0.741 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)CC)CC2 ZINC001277712490 1226167627 /nfs/dbraw/zinc/16/76/27/1226167627.db2.gz IGLTWEGYCMLUHN-CVEARBPZSA-N 2 0 369.506 0.423 20 0 FCADRP CCOC(=O)[C@]12CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]1C[NH2+]CC2 ZINC001154688194 1223016412 /nfs/dbraw/zinc/01/64/12/1223016412.db2.gz ZATOERVSXVLLPM-DNVCBOLYSA-N 2 0 359.474 0.470 20 0 FCADRP c1ncn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c1C1CC[NH2+]CC1 ZINC001155052619 1223022910 /nfs/dbraw/zinc/02/29/10/1223022910.db2.gz DLLKNAQDJYKRMG-UHFFFAOYSA-N 2 0 355.446 0.934 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)ccn2)C1 ZINC000245458877 1223044393 /nfs/dbraw/zinc/04/43/93/1223044393.db2.gz KWFOFRICCSYSPQ-HUUCEWRRSA-N 2 0 359.474 0.445 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001157344684 1223074301 /nfs/dbraw/zinc/07/43/01/1223074301.db2.gz SKFVYSJFASDZLE-KRWDZBQOSA-N 2 0 361.490 0.693 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CCOCC2)C(=O)N1CCCC1 ZINC001157370706 1223074833 /nfs/dbraw/zinc/07/48/33/1223074833.db2.gz GIVNPPBRFQYTTD-HOTGVXAUSA-N 2 0 366.506 0.239 20 0 FCADRP COc1cc2c(cc1OC)[C@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001157423264 1223076689 /nfs/dbraw/zinc/07/66/89/1223076689.db2.gz QDZJBRLAEWXMES-BBRMVZONSA-N 2 0 362.474 0.210 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626607 1223079447 /nfs/dbraw/zinc/07/94/47/1223079447.db2.gz HSOQVPFBRQOZLU-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157610078 1223079522 /nfs/dbraw/zinc/07/95/22/1223079522.db2.gz NZNWBIHCQNCNNU-RYRKJORJSA-N 2 0 358.486 0.438 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CC1 ZINC001157741448 1223081369 /nfs/dbraw/zinc/08/13/69/1223081369.db2.gz XDFKJXMGGIXZOG-MDASCCDHSA-N 2 0 360.433 0.775 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)CC1 ZINC001157773103 1223081635 /nfs/dbraw/zinc/08/16/35/1223081635.db2.gz HWSRXSDBBYSMIH-MDZRGWNJSA-N 2 0 360.433 0.779 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ncccc3C(=O)N3CC[NH2+]CC3)n2)c1 ZINC001158042846 1223087674 /nfs/dbraw/zinc/08/76/74/1223087674.db2.gz GXUKATZKUOPGKM-UHFFFAOYSA-N 2 0 364.413 0.228 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)Cc1csc2ccccc12 ZINC001158091392 1223088467 /nfs/dbraw/zinc/08/84/67/1223088467.db2.gz CHPCIPROPPHMFS-LIRRHRJNSA-N 2 0 372.494 0.852 20 0 FCADRP O=C([C@@H]1CC2(CC[NH2+]CC2)c2ccccc21)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091912 1223088481 /nfs/dbraw/zinc/08/84/81/1223088481.db2.gz KAWCNSGKCHMNPO-IERDGZPVSA-N 2 0 368.481 0.486 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)Cc1cccc2ccccc21 ZINC001158093540 1223088611 /nfs/dbraw/zinc/08/86/11/1223088611.db2.gz XAFQOVKVPADKAU-UTKZUKDTSA-N 2 0 366.465 0.790 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119928 1223089673 /nfs/dbraw/zinc/08/96/73/1223089673.db2.gz JMAXKMRSPRMJNY-PKOBYXMFSA-N 2 0 360.433 0.024 20 0 FCADRP O=C([C@@H]1CCC[C@H](c2ccccc2)[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118618 1223089740 /nfs/dbraw/zinc/08/97/40/1223089740.db2.gz BYIIQHXGUVIUDN-LLGFUMIMSA-N 2 0 368.481 0.808 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162320 1223090081 /nfs/dbraw/zinc/09/00/81/1223090081.db2.gz XFURTHRIOVRCAI-CWFSZBLJSA-N 2 0 354.454 0.841 20 0 FCADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001158180508 1223090567 /nfs/dbraw/zinc/09/05/67/1223090567.db2.gz YIZXTRIGXJKELH-HNAWSFBYSA-N 2 0 356.470 0.159 20 0 FCADRP O=C([C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263208 1223092601 /nfs/dbraw/zinc/09/26/01/1223092601.db2.gz ZXNCCUPIJGDZAB-DNVCBOLYSA-N 2 0 374.489 0.248 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]Cc2ncccn2)CC1 ZINC001158281889 1223093527 /nfs/dbraw/zinc/09/35/27/1223093527.db2.gz FHJFTCBVZYZDJT-AEFFLSMTSA-N 2 0 361.490 0.819 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@@H+]1C ZINC001158379793 1223096431 /nfs/dbraw/zinc/09/64/31/1223096431.db2.gz HZIJFUBBQMBSFP-CHWSQXEVSA-N 2 0 359.434 0.463 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)c1c[nH+]ccc1N)C2 ZINC001158395281 1223096878 /nfs/dbraw/zinc/09/68/78/1223096878.db2.gz UPTRQJIJIJNTQO-GJZGRUSLSA-N 2 0 372.347 0.651 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1C ZINC001158411267 1223097030 /nfs/dbraw/zinc/09/70/30/1223097030.db2.gz BKZQYCNAUHBSQE-RYQLBKOJSA-N 2 0 367.490 0.983 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158420894 1223097195 /nfs/dbraw/zinc/09/71/95/1223097195.db2.gz AFAGLDOUGGHYMC-JYJNAYRXSA-N 2 0 357.410 0.721 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)CC[N@@H+]1C ZINC001158428567 1223097342 /nfs/dbraw/zinc/09/73/42/1223097342.db2.gz JJKQJPKAXUOLBQ-OIISXLGYSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CC[N@@H+]1C ZINC001158428566 1223097441 /nfs/dbraw/zinc/09/74/41/1223097441.db2.gz JJKQJPKAXUOLBQ-DJIMGWMZSA-N 2 0 366.506 0.060 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422186 1223097601 /nfs/dbraw/zinc/09/76/01/1223097601.db2.gz ITBRQXYBWJJIBM-IKGGRYGDSA-N 2 0 355.442 0.117 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)C2 ZINC001158480138 1223098998 /nfs/dbraw/zinc/09/89/98/1223098998.db2.gz USPZLXJOYMFETO-IQGAEYHTSA-N 2 0 361.486 0.910 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC001158513737 1223100756 /nfs/dbraw/zinc/10/07/56/1223100756.db2.gz QNCIFKISDRYAIS-MRXNPFEDSA-N 2 0 367.490 0.631 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533040 1223101797 /nfs/dbraw/zinc/10/17/97/1223101797.db2.gz HJFGKZSIHNLEII-XTDOFWJNSA-N 2 0 367.490 0.805 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715355 1223106301 /nfs/dbraw/zinc/10/63/01/1223106301.db2.gz IYQMVJHIGMTRKS-CUSZFKRNSA-N 2 0 366.506 0.365 20 0 FCADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C2 ZINC001158789006 1223109360 /nfs/dbraw/zinc/10/93/60/1223109360.db2.gz CLFWGZYIHMFEQQ-GJZGRUSLSA-N 2 0 366.510 0.866 20 0 FCADRP CC(C)N(C(=O)[C@@H](C)[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871880 1223111606 /nfs/dbraw/zinc/11/16/06/1223111606.db2.gz WWZFCBZGWVNZJN-CYBMUJFWSA-N 2 0 362.478 0.090 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC001158890689 1223112447 /nfs/dbraw/zinc/11/24/47/1223112447.db2.gz KAGHYEKMXGTBDT-GOSISDBHSA-N 2 0 370.497 0.904 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927044 1223112748 /nfs/dbraw/zinc/11/27/48/1223112748.db2.gz WAAWOBRAPMCZJE-APWZRJJASA-N 2 0 362.449 0.843 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927051 1223112978 /nfs/dbraw/zinc/11/29/78/1223112978.db2.gz WAAWOBRAPMCZJE-VQIMIIECSA-N 2 0 362.449 0.843 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934185 1223113432 /nfs/dbraw/zinc/11/34/32/1223113432.db2.gz FTRXWHUQVLHILB-GVDBMIGSSA-N 2 0 359.474 0.500 20 0 FCADRP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncnc2c1CC[NH2+]C2 ZINC001159144309 1223119181 /nfs/dbraw/zinc/11/91/81/1223119181.db2.gz FVOYSUVTOFRACH-UHFFFAOYSA-N 2 0 353.430 0.990 20 0 FCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159158335 1223119441 /nfs/dbraw/zinc/11/94/41/1223119441.db2.gz MWFJQBSFCUYUBH-SGYMCOKNSA-N 2 0 370.501 0.445 20 0 FCADRP Cc1cc(Nc2nccnc2N2CC[NH2+]CC2)cnc1N1CC[NH2+]CC1 ZINC001159176685 1223119455 /nfs/dbraw/zinc/11/94/55/1223119455.db2.gz YPPUEGOEUUOSOH-UHFFFAOYSA-N 2 0 354.462 0.743 20 0 FCADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001159236090 1223121749 /nfs/dbraw/zinc/12/17/49/1223121749.db2.gz LBPQRZNEANKDTL-XHSDSOJGSA-N 2 0 362.478 0.082 20 0 FCADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]32)nn1 ZINC001159299381 1223123681 /nfs/dbraw/zinc/12/36/81/1223123681.db2.gz YSABZYQIUSYEKM-XHSDSOJGSA-N 2 0 362.478 0.047 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159344405 1223125220 /nfs/dbraw/zinc/12/52/20/1223125220.db2.gz UTTAEYXCOASZTQ-JBJRXJHCSA-N 2 0 367.494 0.750 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)c2ccsc2)CC3)CC1 ZINC001159417036 1223126421 /nfs/dbraw/zinc/12/64/21/1223126421.db2.gz KEPRETVNCBZOOE-KRWDZBQOSA-N 2 0 374.514 0.734 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)CC[C@@H]21 ZINC001159533814 1223129404 /nfs/dbraw/zinc/12/94/04/1223129404.db2.gz JRAVKWYXGIKKHW-DFEOGRTESA-N 2 0 360.506 0.274 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@H]2C ZINC001159634131 1223131874 /nfs/dbraw/zinc/13/18/74/1223131874.db2.gz WKPJBOFBFKQEOM-BBRMVZONSA-N 2 0 359.478 0.920 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)[C@@H]2C ZINC001159632993 1223132030 /nfs/dbraw/zinc/13/20/30/1223132030.db2.gz DVKVASBCFUYOKB-CLCXKQKWSA-N 2 0 360.506 0.578 20 0 FCADRP CN1C[C@H](COCC2CC2)[C@H]2CCN(C(=O)[C@@H](N)CC[NH3+])CC[C@H]2C1=O ZINC001159643734 1223132347 /nfs/dbraw/zinc/13/23/47/1223132347.db2.gz NWBIREVNXJHBLP-VQHPVUNQSA-N 2 0 366.506 0.032 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2)C1CC[NH2+]CC1 ZINC001159677072 1223133456 /nfs/dbraw/zinc/13/34/56/1223133456.db2.gz DABYGBBYSNZUDK-SFHVURJKSA-N 2 0 373.501 0.606 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159701502 1223134594 /nfs/dbraw/zinc/13/45/94/1223134594.db2.gz YDLZYBLOCPLDPC-SJORKVTESA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159751533 1223135773 /nfs/dbraw/zinc/13/57/73/1223135773.db2.gz RIYCGRYELONGAA-ARFHVFGLSA-N 2 0 364.421 0.225 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855099 1223138007 /nfs/dbraw/zinc/13/80/07/1223138007.db2.gz HVEZSWAFSQVUMG-JQHSSLGASA-N 2 0 364.465 0.946 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC001160034934 1223142862 /nfs/dbraw/zinc/14/28/62/1223142862.db2.gz LVIYYMPFBIKBDZ-FQEVSTJZSA-N 2 0 372.513 0.818 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160050302 1223143320 /nfs/dbraw/zinc/14/33/20/1223143320.db2.gz VLOOVCBJEYSYCS-ZIFCJYIRSA-N 2 0 362.474 0.530 20 0 FCADRP Cc1ccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054323 1223143393 /nfs/dbraw/zinc/14/33/93/1223143393.db2.gz ZMEDMACIVFJGSM-YJBOKZPZSA-N 2 0 374.489 0.110 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160065530 1223143954 /nfs/dbraw/zinc/14/39/54/1223143954.db2.gz KTBVLSYKDUGQRV-HNNXBMFYSA-N 2 0 371.489 0.761 20 0 FCADRP Cc1ccc(N(C(=O)[C@@]2(N)CC[NH2+]C2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171660 1223147305 /nfs/dbraw/zinc/14/73/05/1223147305.db2.gz QADLHXBISCMBGQ-HXUWFJFHSA-N 2 0 366.469 0.829 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCc2onc(COc3ccccn3)c2C1)C1CC[NH2+]CC1 ZINC001160177890 1223147899 /nfs/dbraw/zinc/14/78/99/1223147899.db2.gz AIDVWKPQEPADMR-GOSISDBHSA-N 2 0 371.441 0.860 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCC2 ZINC001160372956 1223156502 /nfs/dbraw/zinc/15/65/02/1223156502.db2.gz UXSOEWTTXKTGTD-HNNXBMFYSA-N 3 0 366.510 0.150 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415365 1223158443 /nfs/dbraw/zinc/15/84/43/1223158443.db2.gz SGQRAVBHLMPBQB-LPHOPBHVSA-N 2 0 372.473 0.149 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001160424382 1223158985 /nfs/dbraw/zinc/15/89/85/1223158985.db2.gz SKVVLPSXUDZSMX-BHNDVYRESA-N 2 0 357.502 0.687 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160507446 1223163255 /nfs/dbraw/zinc/16/32/55/1223163255.db2.gz ZSUSBUNAOUZQOO-HZPDHXFCSA-N 2 0 364.490 0.101 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160523448 1223163589 /nfs/dbraw/zinc/16/35/89/1223163589.db2.gz BYZKSDBDWBQYLJ-BZSNNMDCSA-N 2 0 373.501 0.845 20 0 FCADRP [NH3+][C@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C1CCC(O)CC1 ZINC001160589354 1223165825 /nfs/dbraw/zinc/16/58/25/1223165825.db2.gz PMAFGZKGWOPISV-KVULBXGLSA-N 2 0 372.469 0.721 20 0 FCADRP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160613054 1223166538 /nfs/dbraw/zinc/16/65/38/1223166538.db2.gz MCIOBBJUHIYEBA-SJORKVTESA-N 2 0 370.497 0.664 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CCC[C@H]([NH3+])C2)CCO1 ZINC001160643232 1223167334 /nfs/dbraw/zinc/16/73/34/1223167334.db2.gz DLYUBVQZIZWLAK-TXPKVOOTSA-N 2 0 371.485 0.818 20 0 FCADRP O=C(N1CCN(c2ccc3n[nH]cc3c2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160674484 1223167893 /nfs/dbraw/zinc/16/78/93/1223167893.db2.gz OYFLQJCKCLTAEM-DNVCBOLYSA-N 2 0 354.458 0.411 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001160712554 1223169831 /nfs/dbraw/zinc/16/98/31/1223169831.db2.gz ZUNKGSMOTLDFBB-INIZCTEOSA-N 2 0 359.449 0.942 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1=O ZINC001160781988 1223172375 /nfs/dbraw/zinc/17/23/75/1223172375.db2.gz YEYLVUUVDQOFCZ-UWVAXJGDSA-N 2 0 356.470 0.326 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160811403 1223174922 /nfs/dbraw/zinc/17/49/22/1223174922.db2.gz PFCGEYBHWHTZAT-SPYBWZPUSA-N 2 0 365.474 0.146 20 0 FCADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160825136 1223176090 /nfs/dbraw/zinc/17/60/90/1223176090.db2.gz VSFVUQHEYFSZPX-ZFWWWQNUSA-N 2 0 361.446 0.273 20 0 FCADRP CO[C@@H](CN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904452 1223180491 /nfs/dbraw/zinc/18/04/91/1223180491.db2.gz GJYAZLGVERONRY-ROUUACIJSA-N 2 0 358.486 0.327 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915570 1223180574 /nfs/dbraw/zinc/18/05/74/1223180574.db2.gz DFMSRSDHRIOBAS-MRXNPFEDSA-N 2 0 369.425 0.632 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999785 1223182636 /nfs/dbraw/zinc/18/26/36/1223182636.db2.gz KPXDOBMCKVQQQU-OALUTQOASA-N 2 0 372.513 0.566 20 0 FCADRP C[NH+]1CCC2(CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2)CC1 ZINC001160991375 1223182728 /nfs/dbraw/zinc/18/27/28/1223182728.db2.gz CAUGDHJIZAKBHH-HNNXBMFYSA-N 2 0 368.522 0.579 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)c2ccccc21 ZINC001161006222 1223183150 /nfs/dbraw/zinc/18/31/50/1223183150.db2.gz BCFNSIAOSRELDG-FUHWJXTLSA-N 2 0 356.470 0.764 20 0 FCADRP CN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161065089 1223184464 /nfs/dbraw/zinc/18/44/64/1223184464.db2.gz PISQLMNXGRJWPV-FMKPAKJESA-N 2 0 358.446 0.732 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090334 1223185553 /nfs/dbraw/zinc/18/55/53/1223185553.db2.gz LRJURGZTWCJPNB-INIZCTEOSA-N 3 0 366.469 0.524 20 0 FCADRP N[C@]1(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001161089133 1223185769 /nfs/dbraw/zinc/18/57/69/1223185769.db2.gz FAVXUWVBCWJIQL-LJQANCHMSA-N 2 0 354.458 0.796 20 0 FCADRP CC1(C)N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC[C@]12c1ccccc1OC2=O ZINC001161160874 1223187918 /nfs/dbraw/zinc/18/79/18/1223187918.db2.gz IKFOEJIIIMXOGJ-JLTOFOAXSA-N 2 0 355.438 0.663 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001161158406 1223188036 /nfs/dbraw/zinc/18/80/36/1223188036.db2.gz GZRTZOUIQXTZLH-UHFFFAOYSA-N 2 0 362.474 0.446 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161157789 1223188095 /nfs/dbraw/zinc/18/80/95/1223188095.db2.gz JVAHYATYZNXZPG-JXFKEZNVSA-N 2 0 374.485 0.453 20 0 FCADRP N[C@@H](C[NH3+])C(=O)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001161172821 1223188361 /nfs/dbraw/zinc/18/83/61/1223188361.db2.gz VPAVPFCOOMCEQW-IBGZPJMESA-N 2 0 360.502 0.945 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198422 1223188896 /nfs/dbraw/zinc/18/88/96/1223188896.db2.gz QODTYEWHQVWGMG-ROUUACIJSA-N 2 0 370.513 0.485 20 0 FCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198249 1223189075 /nfs/dbraw/zinc/18/90/75/1223189075.db2.gz OMSVDQPBPLMFTB-GOSISDBHSA-N 2 0 366.550 0.783 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N(C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc(=O)oc2c1 ZINC001161222115 1223189719 /nfs/dbraw/zinc/18/97/19/1223189719.db2.gz VVUBPEVDGIIVBG-JTOWHCCKSA-N 2 0 357.410 0.348 20 0 FCADRP Cc1cc(F)cc(CN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C2CC[NH2+]CC2)c1 ZINC001161281800 1223193803 /nfs/dbraw/zinc/19/38/03/1223193803.db2.gz MEYGUIOMTUMVGH-SFHVURJKSA-N 2 0 374.460 0.693 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)CC1 ZINC001161379738 1223197437 /nfs/dbraw/zinc/19/74/37/1223197437.db2.gz HNVNAKYPQLTCSO-INIZCTEOSA-N 2 0 358.490 0.129 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@H]12 ZINC001161414678 1223198389 /nfs/dbraw/zinc/19/83/89/1223198389.db2.gz YNOFXMCKMRTZGR-FCGDIQPGSA-N 2 0 354.498 0.904 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]12 ZINC001161414679 1223198666 /nfs/dbraw/zinc/19/86/66/1223198666.db2.gz YNOFXMCKMRTZGR-NCXUSEDFSA-N 2 0 354.498 0.904 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[N@@H+]4CC[C@@H]4C3)cc(=O)oc2c1 ZINC001161423909 1223198905 /nfs/dbraw/zinc/19/89/05/1223198905.db2.gz SKUYAMKCAQBIJW-CJNGLKHVSA-N 2 0 357.410 0.588 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444037 1223199030 /nfs/dbraw/zinc/19/90/30/1223199030.db2.gz AJBDEFRUINTYEZ-HOTGVXAUSA-N 3 0 370.538 0.968 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161443609 1223199237 /nfs/dbraw/zinc/19/92/37/1223199237.db2.gz ZQWUTPXSUDEGKY-IAGOWNOFSA-N 3 0 374.533 0.276 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC001161447725 1223199592 /nfs/dbraw/zinc/19/95/92/1223199592.db2.gz YWVQGWHKIPQPFL-RDJZCZTQSA-N 3 0 358.490 0.575 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccc(CN2CC[NH2+]CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001161448755 1223199764 /nfs/dbraw/zinc/19/97/64/1223199764.db2.gz HFSPTHKKELADHQ-HXUWFJFHSA-N 3 0 373.545 0.848 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(F)ccc31)CC2 ZINC001161478777 1223200838 /nfs/dbraw/zinc/20/08/38/1223200838.db2.gz NZSXFFOXPQOZHT-FCEWJHQRSA-N 2 0 361.417 0.766 20 0 FCADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001161489243 1223201947 /nfs/dbraw/zinc/20/19/47/1223201947.db2.gz SAKZENBDDBKOSG-FXAWDEMLSA-N 2 0 371.485 0.741 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584493 1223204510 /nfs/dbraw/zinc/20/45/10/1223204510.db2.gz BSYUJXBIBBAOGC-WMZOPIPTSA-N 2 0 357.454 0.801 20 0 FCADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](CC(=O)N(C)C)CC1 ZINC001162275331 1223213056 /nfs/dbraw/zinc/21/30/56/1223213056.db2.gz LRWXRIGLTOJERY-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP COC(=O)C1(Nc2nc(N3CCC(C[NH3+])CC3)ncc2C)CC[NH2+]CC1 ZINC001166922876 1223289224 /nfs/dbraw/zinc/28/92/24/1223289224.db2.gz KSZKCCSMBMHJGH-UHFFFAOYSA-N 2 0 362.478 0.667 20 0 FCADRP CC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001205212257 1223317203 /nfs/dbraw/zinc/31/72/03/1223317203.db2.gz RVIYUKXNRFWIQC-BHIYHBOVSA-N 2 0 363.502 0.783 20 0 FCADRP CC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001205211866 1223317247 /nfs/dbraw/zinc/31/72/47/1223317247.db2.gz MAYCDIHFIPNJJR-RTBURBONSA-N 2 0 363.502 0.785 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001205226548 1223318623 /nfs/dbraw/zinc/31/86/23/1223318623.db2.gz XCBZEDRFPMYDOR-RTBURBONSA-N 2 0 363.502 0.783 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cccc(F)c1 ZINC001205456220 1223324224 /nfs/dbraw/zinc/32/42/24/1223324224.db2.gz LPYXILHZNVKASN-DLBZAZTESA-N 2 0 362.449 0.552 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205449755 1223324587 /nfs/dbraw/zinc/32/45/87/1223324587.db2.gz ZCQDBNLZMXIWBM-ZWKOTPCHSA-N 2 0 367.465 0.934 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+](CC(=O)NC)CC2)[C@H]2COC[C@H]21 ZINC001205513871 1223329746 /nfs/dbraw/zinc/32/97/46/1223329746.db2.gz UKCQBAZCYURPGG-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205668877 1223334654 /nfs/dbraw/zinc/33/46/54/1223334654.db2.gz XBYFNWSLTVYJSL-JLJPHGGASA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4cc[nH]c4n3)C2)OCC1=O ZINC001276511570 1223424710 /nfs/dbraw/zinc/42/47/10/1223424710.db2.gz SZUSWALHFNKNJJ-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207231613 1223427036 /nfs/dbraw/zinc/42/70/36/1223427036.db2.gz MOSRGWQEIIJIDS-RBSFLKMASA-N 2 0 370.469 0.252 20 0 FCADRP COc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)nc1 ZINC001276542881 1223463331 /nfs/dbraw/zinc/46/33/31/1223463331.db2.gz HDITUEWJWOCUHH-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706137 1223472545 /nfs/dbraw/zinc/47/25/45/1223472545.db2.gz PMJUVMRMIUCAPT-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001207757796 1223477054 /nfs/dbraw/zinc/47/70/54/1223477054.db2.gz MVWOGVIGBHPPKR-OWCLPIDISA-N 2 0 368.522 0.137 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611961 1223563254 /nfs/dbraw/zinc/56/32/54/1223563254.db2.gz YVVHSLNAPFUSEV-MSOLQXFVSA-N 2 0 365.518 0.916 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676317 1223569398 /nfs/dbraw/zinc/56/93/98/1223569398.db2.gz MMJANSNHUKBEOL-KBAYOESNSA-N 2 0 360.502 0.861 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001208679094 1223571185 /nfs/dbraw/zinc/57/11/85/1223571185.db2.gz XOZYRAOEBXKDCW-UHFFFAOYSA-N 2 0 361.490 0.769 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738625 1223574232 /nfs/dbraw/zinc/57/42/32/1223574232.db2.gz HWIAOYSHJMMNGI-BRWVUGGUSA-N 2 0 364.494 0.216 20 0 FCADRP CNC(=O)CN1CCO[C@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942465 1223586303 /nfs/dbraw/zinc/58/63/03/1223586303.db2.gz DOHRMGFKCOJRJJ-AQNXPRMDSA-N 2 0 372.513 0.640 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276629885 1223607924 /nfs/dbraw/zinc/60/79/24/1223607924.db2.gz BJZRBEFIDZLZKV-SFHVURJKSA-N 3 0 365.566 0.404 20 0 FCADRP COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1)OC ZINC001276630416 1223609207 /nfs/dbraw/zinc/60/92/07/1223609207.db2.gz UBDLNEGUQHCGDW-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630372 1223609568 /nfs/dbraw/zinc/60/95/68/1223609568.db2.gz QDZFWKZBVVVWIF-FQEVSTJZSA-N 3 0 365.566 0.643 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321602 1223683139 /nfs/dbraw/zinc/68/31/39/1223683139.db2.gz GBYDZVURZHADMS-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094907 1223725653 /nfs/dbraw/zinc/72/56/53/1223725653.db2.gz YGIUHCISRCVENM-OAGGEKHMSA-N 2 0 364.490 0.494 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309338 1223734227 /nfs/dbraw/zinc/73/42/27/1223734227.db2.gz AJUMWMYPRWGBCU-KZNAEPCWSA-N 2 0 371.522 0.323 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219522 1223770632 /nfs/dbraw/zinc/77/06/32/1223770632.db2.gz XMTONSZUIHICSE-RCCFBDPRSA-N 2 0 371.522 0.464 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446159 1223800302 /nfs/dbraw/zinc/80/03/02/1223800302.db2.gz CJLJDSMWCHOJMR-IAGOWNOFSA-N 2 0 365.522 0.756 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213678044 1223831330 /nfs/dbraw/zinc/83/13/30/1223831330.db2.gz APKCATPBECEMAC-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755445 1223844930 /nfs/dbraw/zinc/84/49/30/1223844930.db2.gz AMAXHIGOTXMLIA-BRWVUGGUSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC000978156179 1248709509 /nfs/dbraw/zinc/70/95/09/1248709509.db2.gz OCAJQUXVCSHESP-ZKXLYKBJSA-N 2 0 362.518 0.633 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001214780317 1223941858 /nfs/dbraw/zinc/94/18/58/1223941858.db2.gz UZHSDRXOQLFDPE-KFWWJZLASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214847820 1223947918 /nfs/dbraw/zinc/94/79/18/1223947918.db2.gz UFHQQOUSPHDNNP-GDBMZVCRSA-N 2 0 362.474 0.817 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905022 1223954283 /nfs/dbraw/zinc/95/42/83/1223954283.db2.gz UTCKRXGSILNHDD-FMKPAKJESA-N 2 0 369.510 0.245 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969229 1223960633 /nfs/dbraw/zinc/96/06/33/1223960633.db2.gz MDZVZPLHDRUCSZ-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214969754 1223960729 /nfs/dbraw/zinc/96/07/29/1223960729.db2.gz YVVLKMIQJBOTLS-KFWWJZLASA-N 2 0 360.462 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215015132 1223964501 /nfs/dbraw/zinc/96/45/01/1223964501.db2.gz IKMIFTLVOYOQLO-RHSMWYFYSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]CCn1cncn1 ZINC001215015267 1223964513 /nfs/dbraw/zinc/96/45/13/1223964513.db2.gz PHWBQDOIJITWLW-NVXWUHKLSA-N 2 0 357.462 0.636 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(=O)N(C)C ZINC001215121723 1223975414 /nfs/dbraw/zinc/97/54/14/1223975414.db2.gz FTIOVJROZAPOKQ-CKEIUWERSA-N 2 0 370.457 0.794 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215199853 1223981860 /nfs/dbraw/zinc/98/18/60/1223981860.db2.gz IKJYEYSPQVPYMW-GDBMZVCRSA-N 2 0 361.490 0.706 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423989 1223999150 /nfs/dbraw/zinc/99/91/50/1223999150.db2.gz ZUCGZAYOWRMRAK-IXDOHACOSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001215453713 1223999918 /nfs/dbraw/zinc/99/99/18/1223999918.db2.gz OPJPPKMRBCQVOQ-HYVNUMGLSA-N 2 0 366.506 0.060 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453744 1224000187 /nfs/dbraw/zinc/00/01/87/1224000187.db2.gz PTNDLQMOCHAERE-BFYDXBDKSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215539867 1224005428 /nfs/dbraw/zinc/00/54/28/1224005428.db2.gz AXHIRINLMACRPZ-ZXYWRSMDSA-N 2 0 368.497 0.914 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563841 1224006373 /nfs/dbraw/zinc/00/63/73/1224006373.db2.gz RYLMCDDNVAIXGN-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215781993 1224017898 /nfs/dbraw/zinc/01/78/98/1224017898.db2.gz RKBQEDXMTFCYGZ-KBAYOESNSA-N 2 0 363.506 0.412 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C(C)C ZINC001215977002 1224027783 /nfs/dbraw/zinc/02/77/83/1224027783.db2.gz AZRXUWKTMZTDOO-IIAWOOMASA-N 2 0 366.510 0.411 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215977026 1224027887 /nfs/dbraw/zinc/02/78/87/1224027887.db2.gz BTJURFOAMCTJIC-RBSFLKMASA-N 2 0 369.510 0.518 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)C(C)C ZINC001215981756 1224028415 /nfs/dbraw/zinc/02/84/15/1224028415.db2.gz KEUYUEOZJLGLRG-BRWVUGGUSA-N 2 0 367.538 0.815 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001216382821 1224047476 /nfs/dbraw/zinc/04/74/76/1224047476.db2.gz DJHDUNPQWMASEE-BFYDXBDKSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001216402025 1224048627 /nfs/dbraw/zinc/04/86/27/1224048627.db2.gz SLWXABJVRRATNV-RHSMWYFYSA-N 2 0 362.474 0.300 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)no1 ZINC001216405225 1224049090 /nfs/dbraw/zinc/04/90/90/1224049090.db2.gz IPWAQFVXQOLGSM-TZMCWYRMSA-N 2 0 361.446 0.454 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216507502 1224053516 /nfs/dbraw/zinc/05/35/16/1224053516.db2.gz YGBPJLJHYBNSPB-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216515430 1224054483 /nfs/dbraw/zinc/05/44/83/1224054483.db2.gz PYRFFDZXTLZPAH-IAGOWNOFSA-N 2 0 370.538 0.696 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752432 1224068337 /nfs/dbraw/zinc/06/83/37/1224068337.db2.gz OMPMEPFODAMRJQ-BPLDGKMQSA-N 2 0 362.478 0.055 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752891 1224068394 /nfs/dbraw/zinc/06/83/94/1224068394.db2.gz ZABDYOUKZAICIX-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834049 1224076666 /nfs/dbraw/zinc/07/66/66/1224076666.db2.gz HZPJEJWZYZSILV-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844623 1224078706 /nfs/dbraw/zinc/07/87/06/1224078706.db2.gz HAJZFQLYPZPQRQ-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCN1C(=O)C2(CC[NH+](C[C@H](O)CO)CC2)[C@H]1c1ccccc1 ZINC001277718117 1226170593 /nfs/dbraw/zinc/17/05/93/1226170593.db2.gz BVUQPTLSPDVHOG-ZWKOTPCHSA-N 2 0 361.486 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000985440539 1248921781 /nfs/dbraw/zinc/92/17/81/1248921781.db2.gz NSRTWLUILXKEOY-LSDHHAIUSA-N 2 0 364.494 0.262 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000988038378 1249308065 /nfs/dbraw/zinc/30/80/65/1249308065.db2.gz XDVBOIRYKIKJEO-JFIYKMOQSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000992407513 1249364805 /nfs/dbraw/zinc/36/48/05/1249364805.db2.gz PBTRIIHMMCDAGE-BHYGNILZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@]3(C)C2)C1 ZINC000993314947 1249459155 /nfs/dbraw/zinc/45/91/55/1249459155.db2.gz BLTRZBHCSNLODN-YZVOILCLSA-N 2 0 359.474 0.601 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848614825 1245375823 /nfs/dbraw/zinc/37/58/23/1245375823.db2.gz YGWNHYIWPILXFR-MSOLQXFVSA-N 2 0 358.486 0.937 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563227 1245455094 /nfs/dbraw/zinc/45/50/94/1245455094.db2.gz BFKPWNGOTRLXEW-IRXDYDNUSA-N 2 0 367.538 0.470 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897056761 1245465611 /nfs/dbraw/zinc/46/56/11/1245465611.db2.gz MUQKTCZEMUVEKY-RBUKOAKNSA-N 2 0 365.518 0.981 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517089 1245504311 /nfs/dbraw/zinc/50/43/11/1245504311.db2.gz HAHAKXARYSMBJR-FSPWUOQZSA-N 2 0 358.486 0.916 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000911518279 1245505772 /nfs/dbraw/zinc/50/57/72/1245505772.db2.gz RRNNKBJRAUHWPE-KBAYOESNSA-N 2 0 356.470 0.814 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911560039 1245515400 /nfs/dbraw/zinc/51/54/00/1245515400.db2.gz BMWHUFXEZXVTTB-SJORKVTESA-N 2 0 366.506 0.206 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475662 1245558108 /nfs/dbraw/zinc/55/81/08/1245558108.db2.gz CNRYOLOHPBJKSA-QZTJIDSGSA-N 2 0 373.501 0.887 20 0 FCADRP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000919517002 1245606541 /nfs/dbraw/zinc/60/65/41/1245606541.db2.gz FVKJTUKLGVLTHS-IRXDYDNUSA-N 2 0 367.538 0.946 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000922340771 1245668656 /nfs/dbraw/zinc/66/86/56/1245668656.db2.gz HBVNEEBHJLVAPR-SFHVURJKSA-N 2 0 364.534 0.775 20 0 FCADRP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281094 1245704453 /nfs/dbraw/zinc/70/44/53/1245704453.db2.gz DNCOVDAVPQKYMT-ZWKOTPCHSA-N 2 0 361.486 0.879 20 0 FCADRP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281092 1245704796 /nfs/dbraw/zinc/70/47/96/1245704796.db2.gz DNCOVDAVPQKYMT-QZTJIDSGSA-N 2 0 361.486 0.879 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000925003434 1245737598 /nfs/dbraw/zinc/73/75/98/1245737598.db2.gz UXXXPYZOAJSJOQ-IAGOWNOFSA-N 2 0 358.486 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000938325091 1245846011 /nfs/dbraw/zinc/84/60/11/1245846011.db2.gz WHJITEQXVQNFHT-QLFBSQMISA-N 2 0 359.474 0.819 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000944654159 1247601471 /nfs/dbraw/zinc/60/14/71/1247601471.db2.gz NVDIAOQXHVLVKK-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000945388630 1247741754 /nfs/dbraw/zinc/74/17/54/1247741754.db2.gz ZCTSUONIFUGBGX-LTIDMASMSA-N 2 0 366.506 0.297 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839681 1265440398 /nfs/dbraw/zinc/44/03/98/1265440398.db2.gz KDBALZWVFJHKTQ-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1)[NH+](C)C ZINC000947255378 1248086722 /nfs/dbraw/zinc/08/67/22/1248086722.db2.gz LBTNFFJCOCMUTC-BZUAXINKSA-N 2 0 361.490 0.971 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000976561170 1248243434 /nfs/dbraw/zinc/24/34/34/1248243434.db2.gz PWGUZWAKLMPZGB-WKRUXCHKSA-N 2 0 360.502 0.241 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC[C@H]4C)C[C@H]32)CC[N@@H+]1C ZINC000976611825 1248294275 /nfs/dbraw/zinc/29/42/75/1248294275.db2.gz UWDKXMMXHZPURI-WMOPWKTHSA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1C ZINC000977195961 1248566596 /nfs/dbraw/zinc/56/65/96/1248566596.db2.gz JYCXZJZNVVUKMO-SQZHQNNWSA-N 2 0 362.518 0.774 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)[NH+](C)C ZINC000994336710 1250384706 /nfs/dbraw/zinc/38/47/06/1250384706.db2.gz VTILHCYNOLIYHI-ZACQAIPSSA-N 2 0 364.534 0.879 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498352 1265517557 /nfs/dbraw/zinc/51/75/57/1265517557.db2.gz YSEDNCXRHRTLHH-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC000996719352 1251425066 /nfs/dbraw/zinc/42/50/66/1251425066.db2.gz KJLDLTXDFRIZPQ-BDXSIMOUSA-N 2 0 372.513 0.672 20 0 FCADRP Cc1c(C(=O)Nc2ccccc2C(=O)NCC[NH3+])nnn1C1CC[NH2+]CC1 ZINC001328580814 1265582442 /nfs/dbraw/zinc/58/24/42/1265582442.db2.gz ADJRZBVUMKOOGN-UHFFFAOYSA-N 2 0 371.445 0.452 20 0 FCADRP CCCn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997794239 1251709567 /nfs/dbraw/zinc/70/95/67/1251709567.db2.gz YDSWAOARLPFZRU-GDBMZVCRSA-N 2 0 363.510 0.752 20 0 FCADRP Cn1cncc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998660765 1251945339 /nfs/dbraw/zinc/94/53/39/1251945339.db2.gz XYUQSDXBDHGTLD-KBMXLJTQSA-N 2 0 357.458 0.307 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001002863314 1252715043 /nfs/dbraw/zinc/71/50/43/1252715043.db2.gz UUSFRYNXGKKGPX-JKSUJKDBSA-N 2 0 364.490 0.446 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001002951073 1252748723 /nfs/dbraw/zinc/74/87/23/1252748723.db2.gz KJLDLTXDFRIZPQ-TVFCKZIOSA-N 2 0 372.513 0.672 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004284960 1253274040 /nfs/dbraw/zinc/27/40/40/1253274040.db2.gz KTURLZZXTPJBGU-NCOADZHNSA-N 2 0 360.502 0.957 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001004363527 1253299995 /nfs/dbraw/zinc/29/99/95/1253299995.db2.gz XUWDXACJVDQXFA-DDBAPUKQSA-N 2 0 362.518 0.918 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001005492227 1253566039 /nfs/dbraw/zinc/56/60/39/1253566039.db2.gz LJIIHKHFZUUOEH-MLHJIOFPSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001519813203 1265777558 /nfs/dbraw/zinc/77/75/58/1265777558.db2.gz ZIQCCQQSVXQSTI-MAUKXSAKSA-N 2 0 372.517 0.939 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001034218043 1253982449 /nfs/dbraw/zinc/98/24/49/1253982449.db2.gz YGZGZAUDFXQNHM-YESZJQIVSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC001034647495 1253997394 /nfs/dbraw/zinc/99/73/94/1253997394.db2.gz IWPGQMJEGYUXBC-IXYNUQLISA-N 2 0 361.494 0.865 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@H]4CCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035187535 1254017448 /nfs/dbraw/zinc/01/74/48/1254017448.db2.gz ZMXZBCNNADMIIB-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4cnnn4C)C3)CC2)CC[N@@H+]1C ZINC001035186478 1254018213 /nfs/dbraw/zinc/01/82/13/1254018213.db2.gz DMIKINVSESTSES-NVXWUHKLSA-N 2 0 360.506 0.970 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CCn4cncn4)C3)CC2)CC[N@@H+]1C ZINC001035186561 1254019694 /nfs/dbraw/zinc/01/96/94/1254019694.db2.gz HCVBIQMYIBKDMB-IAGOWNOFSA-N 2 0 360.506 0.933 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001061622121 1254195121 /nfs/dbraw/zinc/19/51/21/1254195121.db2.gz MBZWGHDYFQNGAL-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC001329784441 1265845852 /nfs/dbraw/zinc/84/58/52/1265845852.db2.gz CVHIBPMSHREETG-INIZCTEOSA-N 2 0 362.522 0.862 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+](CC)CC)CCO2)CC[N@@H+]1C ZINC001065178520 1254479449 /nfs/dbraw/zinc/47/94/49/1254479449.db2.gz UCCTXDZQBGVBBU-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001520192817 1265873563 /nfs/dbraw/zinc/87/35/63/1265873563.db2.gz SSTNWSVGMOJJAO-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001075798719 1254619955 /nfs/dbraw/zinc/61/99/55/1254619955.db2.gz LTOIYKULSOQCRO-GBESFXJTSA-N 2 0 357.502 0.837 20 0 FCADRP Cn1nnc2c1C[C@H](C(=O)NC1CC[NH+](C3CCN(C)CC3)CC1)CC2 ZINC001329958307 1265907554 /nfs/dbraw/zinc/90/75/54/1265907554.db2.gz ZTZBGQBHBXWCDS-CQSZACIVSA-N 2 0 360.506 0.595 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001077685418 1254878732 /nfs/dbraw/zinc/87/87/32/1254878732.db2.gz PYIBAKCKMIHYQJ-IPMKNSEASA-N 2 0 363.502 0.991 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC1 ZINC001077778578 1254981410 /nfs/dbraw/zinc/98/14/10/1254981410.db2.gz RGCXGHAEKXDKRS-GUDVDZBRSA-N 2 0 361.486 0.613 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2O)cn1 ZINC001077818519 1255019228 /nfs/dbraw/zinc/01/92/28/1255019228.db2.gz ZVGBDCNBOJHVNO-QZTJIDSGSA-N 2 0 363.506 0.800 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978355 1255140503 /nfs/dbraw/zinc/14/05/03/1255140503.db2.gz CMGQISWMDVFRRI-IPMKNSEASA-N 2 0 365.518 0.839 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012264 1255169477 /nfs/dbraw/zinc/16/94/77/1255169477.db2.gz ZANPTXUZIPFOEH-RTBURBONSA-N 2 0 355.482 0.932 20 0 FCADRP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078403799 1255407118 /nfs/dbraw/zinc/40/71/18/1255407118.db2.gz IWIKDMGYMKUTCS-KBAYOESNSA-N 2 0 361.490 0.832 20 0 FCADRP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405379 1255408592 /nfs/dbraw/zinc/40/85/92/1255408592.db2.gz LXABYWJZTYPHET-FHLIZLRMSA-N 2 0 361.490 0.832 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079189152 1255468223 /nfs/dbraw/zinc/46/82/23/1255468223.db2.gz FQAZLSKAIHTIIM-GVDBMIGSSA-N 2 0 362.449 0.679 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001079196228 1255471399 /nfs/dbraw/zinc/47/13/99/1255471399.db2.gz DKUXNJQLGBMUTC-DLBZAZTESA-N 2 0 362.449 0.537 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079310695 1255505659 /nfs/dbraw/zinc/50/56/59/1255505659.db2.gz DSRCDNSRCXIWDE-UKPHBRMFSA-N 2 0 362.449 0.679 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681218 1255569888 /nfs/dbraw/zinc/56/98/88/1255569888.db2.gz ATJDSZAOHICJSR-BZUAXINKSA-N 2 0 364.490 0.445 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787516 1256038303 /nfs/dbraw/zinc/03/83/03/1256038303.db2.gz DLRSPPZCWAZRQF-RHSMWYFYSA-N 2 0 356.470 0.818 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081151739 1256192822 /nfs/dbraw/zinc/19/28/22/1256192822.db2.gz RKOZUVJIMKLFTC-NLWGTHIKSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213950 1256207657 /nfs/dbraw/zinc/20/76/57/1256207657.db2.gz XCBCKOQHENRFHD-HYVNUMGLSA-N 2 0 356.470 0.540 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290107 1256634815 /nfs/dbraw/zinc/63/48/15/1256634815.db2.gz JLWKONIKRYEQHJ-QZTJIDSGSA-N 2 0 363.506 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082557127 1256851999 /nfs/dbraw/zinc/85/19/99/1256851999.db2.gz PRNJBYNLPQGXGU-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082620726 1256931316 /nfs/dbraw/zinc/93/13/16/1256931316.db2.gz REALFBUETKAZDU-KCPJHIHWSA-N 2 0 355.398 0.190 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082822172 1257081150 /nfs/dbraw/zinc/08/11/50/1257081150.db2.gz ORTHVLJJYAURIT-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001083749747 1257488690 /nfs/dbraw/zinc/48/86/90/1257488690.db2.gz PARPOMZEIPMJHQ-MOPGFXCFSA-N 2 0 361.486 0.836 20 0 FCADRP O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482815 1266126516 /nfs/dbraw/zinc/12/65/16/1266126516.db2.gz VPLYDWCTLJCFLX-ZBFHGGJFSA-N 2 0 350.463 0.645 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968630 1266123829 /nfs/dbraw/zinc/12/38/29/1266123829.db2.gz FGERTMLGZONDLT-IEBWSBKVSA-N 2 0 366.550 0.925 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)C[NH+]1CCN(C)CC1 ZINC001521503676 1266128838 /nfs/dbraw/zinc/12/88/38/1266128838.db2.gz JZIQDDPAQKNQHL-ZJPYXAASSA-N 2 0 352.523 0.533 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937051 1257722737 /nfs/dbraw/zinc/72/27/37/1257722737.db2.gz KFRMIEVHOGTMLU-QRQLOZEOSA-N 2 0 365.518 0.696 20 0 FCADRP COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053834 1257866029 /nfs/dbraw/zinc/86/60/29/1257866029.db2.gz MSUMOPRGSOHFOF-QRQLOZEOSA-N 2 0 361.486 0.741 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001084408890 1258085757 /nfs/dbraw/zinc/08/57/57/1258085757.db2.gz BARIMNBFFWEGQO-SJLPKXTDSA-N 2 0 358.486 0.902 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702066 1258251155 /nfs/dbraw/zinc/25/11/55/1258251155.db2.gz FGOXQEURNZTWJK-KZNAEPCWSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775761 1258318179 /nfs/dbraw/zinc/31/81/79/1258318179.db2.gz TVHAQDSJQOWRGV-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CC3CCOCC3)C[C@H]21 ZINC001084833941 1258379300 /nfs/dbraw/zinc/37/93/00/1258379300.db2.gz CLRKRIWYLOSNFY-BHIYHBOVSA-N 2 0 365.518 0.914 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)C1CC1 ZINC001084958827 1258468960 /nfs/dbraw/zinc/46/89/60/1258468960.db2.gz XTHIINHYBXOSAC-PVAVHDDUSA-N 2 0 363.506 0.275 20 0 FCADRP O=C(N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076135 1258571947 /nfs/dbraw/zinc/57/19/47/1258571947.db2.gz MCZSIZCYEWUVHM-CVEARBPZSA-N 2 0 361.490 0.030 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085202175 1258629368 /nfs/dbraw/zinc/62/93/68/1258629368.db2.gz QSNROEPQXZLURE-KLHDSHLOSA-N 2 0 364.490 0.493 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cn2)CC1 ZINC001331363125 1266200081 /nfs/dbraw/zinc/20/00/81/1266200081.db2.gz PSSJTKQLSWMMIK-IAGOWNOFSA-N 2 0 358.490 0.869 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC001331379228 1266203110 /nfs/dbraw/zinc/20/31/10/1266203110.db2.gz UWFOPOMYHVDKIC-KRWDZBQOSA-N 2 0 358.446 0.812 20 0 FCADRP O=C(N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088171726 1258691065 /nfs/dbraw/zinc/69/10/65/1258691065.db2.gz DQZOBJFNRUIYEI-IKGGRYGDSA-N 2 0 370.501 0.642 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199177 1258720513 /nfs/dbraw/zinc/72/05/13/1258720513.db2.gz DTNXHMKJGJKJIY-SQNIBIBYSA-N 2 0 358.486 0.617 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200264 1258720863 /nfs/dbraw/zinc/72/08/63/1258720863.db2.gz VQKHNITXOWJBNR-KURKYZTESA-N 2 0 360.506 0.627 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199999 1258721476 /nfs/dbraw/zinc/72/14/76/1258721476.db2.gz LDZNGOQBRYGDMS-IKGGRYGDSA-N 2 0 360.506 0.838 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088201138 1258724796 /nfs/dbraw/zinc/72/47/96/1258724796.db2.gz MWHWVZYNQIHJHI-KSZLIROESA-N 2 0 362.518 0.779 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1)N1CCC1 ZINC001088211587 1258734401 /nfs/dbraw/zinc/73/44/01/1258734401.db2.gz RCRNHKNXKBYITN-MSOLQXFVSA-N 2 0 362.518 0.875 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088212874 1258736137 /nfs/dbraw/zinc/73/61/37/1258736137.db2.gz YAAWBNGISSAIKS-ZIFCJYIRSA-N 2 0 364.534 0.975 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092658167 1258810522 /nfs/dbraw/zinc/81/05/22/1258810522.db2.gz KBYRQXJEYGCXCE-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722111 1258819423 /nfs/dbraw/zinc/81/94/23/1258819423.db2.gz VOHPDDAWTRJXAB-BRWVUGGUSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829815 1258859479 /nfs/dbraw/zinc/85/94/79/1258859479.db2.gz IIAAKLGQALVHJC-UNEWFSDZSA-N 2 0 355.442 0.863 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106662992 1258936246 /nfs/dbraw/zinc/93/62/46/1258936246.db2.gz MHOXXMTUVDZOAD-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672865 1258938022 /nfs/dbraw/zinc/93/80/22/1258938022.db2.gz MKUZTSHPMVDQJJ-ZIAGYGMSSA-N 2 0 369.510 0.104 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1)[NH+]1CCCC1 ZINC001106680911 1258940064 /nfs/dbraw/zinc/94/00/64/1258940064.db2.gz LSVFZNKDJXIYTN-OWCLPIDISA-N 2 0 365.478 0.755 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106785075 1258963734 /nfs/dbraw/zinc/96/37/34/1258963734.db2.gz WGSMFKUTLGYHST-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001106840521 1258975078 /nfs/dbraw/zinc/97/50/78/1258975078.db2.gz REODYLJRAIMNLK-HUUCEWRRSA-N 2 0 364.494 0.334 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881398 1258987732 /nfs/dbraw/zinc/98/77/32/1258987732.db2.gz DJDVLDHPWUXEJA-IXDOHACOSA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C1CC1 ZINC001106885081 1258988434 /nfs/dbraw/zinc/98/84/34/1258988434.db2.gz SIEOFOAPIZKNOY-BFYDXBDKSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C1CC1 ZINC001106885082 1258988681 /nfs/dbraw/zinc/98/86/81/1258988681.db2.gz SIEOFOAPIZKNOY-HLLBOEOZSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001106983783 1259011033 /nfs/dbraw/zinc/01/10/33/1259011033.db2.gz JIMUYXQXBNGALI-ZACQAIPSSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001107030516 1259020365 /nfs/dbraw/zinc/02/03/65/1259020365.db2.gz JLPJYYOCLNDYEH-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033129 1259021285 /nfs/dbraw/zinc/02/12/85/1259021285.db2.gz JLVYNXGIBBDWJN-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001107039431 1259022184 /nfs/dbraw/zinc/02/21/84/1259022184.db2.gz RJQGCXYQXXVMCJ-HZPDHXFCSA-N 2 0 364.490 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001107037243 1259022572 /nfs/dbraw/zinc/02/25/72/1259022572.db2.gz YNIOBWBEWULVBF-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2)C1CC1 ZINC001107439358 1259089315 /nfs/dbraw/zinc/08/93/15/1259089315.db2.gz XJBNJZBKVXHDMM-YVWKXTFCSA-N 2 0 362.518 0.966 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530658 1259109523 /nfs/dbraw/zinc/10/95/23/1259109523.db2.gz FJUUJQHBPKYLSD-YQVWRLOYSA-N 2 0 371.522 0.323 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593025 1259128588 /nfs/dbraw/zinc/12/85/88/1259128588.db2.gz FHQIVKKNOSXQBB-VQIMIIECSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107609188 1259132169 /nfs/dbraw/zinc/13/21/69/1259132169.db2.gz HIQDNCFORUCXIV-YQVWRLOYSA-N 2 0 360.506 0.981 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608356 1259132750 /nfs/dbraw/zinc/13/27/50/1259132750.db2.gz NMZJKTPNOUDARN-VQIMIIECSA-N 2 0 362.518 0.968 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403756 1259158176 /nfs/dbraw/zinc/15/81/76/1259158176.db2.gz XDEOWKAXJICHGM-QZWWFDLISA-N 2 0 369.506 0.216 20 0 FCADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571662 1259181636 /nfs/dbraw/zinc/18/16/36/1259181636.db2.gz WNRXVLAACPCFAZ-MSOLQXFVSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1C ZINC001127643720 1259183581 /nfs/dbraw/zinc/18/35/81/1259183581.db2.gz IRAHSXRXSIEFLD-IIAWOOMASA-N 2 0 362.449 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127707238 1259184866 /nfs/dbraw/zinc/18/48/66/1259184866.db2.gz WTMRFMIEHFXZBR-SOUVJXGZSA-N 2 0 369.510 0.293 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1C ZINC001127690525 1259185275 /nfs/dbraw/zinc/18/52/75/1259185275.db2.gz MGSODPLLWGGLCK-UKRRQHHQSA-N 2 0 361.446 0.381 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC001331590615 1266245324 /nfs/dbraw/zinc/24/53/24/1266245324.db2.gz QVCVLURFKPFUOE-IXDOHACOSA-N 2 0 368.522 0.579 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001129042899 1259295388 /nfs/dbraw/zinc/29/53/88/1259295388.db2.gz BMLXGZBKVILNKB-CVEARBPZSA-N 2 0 361.450 0.402 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129089557 1259308376 /nfs/dbraw/zinc/30/83/76/1259308376.db2.gz KMRNQCQOFVRENB-XHSDSOJGSA-N 2 0 366.510 0.775 20 0 FCADRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccnc1N1CC[NH2+]CC1 ZINC001168707295 1259390387 /nfs/dbraw/zinc/39/03/87/1259390387.db2.gz OMYUHDRHBZNZAO-UHFFFAOYSA-N 2 0 350.430 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001200547506 1259415798 /nfs/dbraw/zinc/41/57/98/1259415798.db2.gz OBCQORDENITGIL-KBAYOESNSA-N 2 0 363.506 0.510 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538027 1259415901 /nfs/dbraw/zinc/41/59/01/1259415901.db2.gz VVAPRSMAPJOMSO-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200554092 1259416790 /nfs/dbraw/zinc/41/67/90/1259416790.db2.gz FKHDKHRBLGEJBG-YESZJQIVSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001211669277 1259426397 /nfs/dbraw/zinc/42/63/97/1259426397.db2.gz RFJDLYOXSKWLMS-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403235 1259489366 /nfs/dbraw/zinc/48/93/66/1259489366.db2.gz GKASRLIDFZXFLK-KZNAEPCWSA-N 2 0 371.522 0.728 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408461 1259494279 /nfs/dbraw/zinc/49/42/79/1259494279.db2.gz RKBWEECETJTDHK-GVDBMIGSSA-N 2 0 371.522 0.320 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495596 1259525685 /nfs/dbraw/zinc/52/56/85/1259525685.db2.gz KRHCVTFFWHPDOD-CGTJXYLNSA-N 2 0 364.490 0.884 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216226252 1259537140 /nfs/dbraw/zinc/53/71/40/1259537140.db2.gz PEUPEHNXNSNLJW-HUUCEWRRSA-N 2 0 365.526 0.749 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1ncc(F)cn1)CC2 ZINC001235003837 1259565688 /nfs/dbraw/zinc/56/56/88/1259565688.db2.gz OKMUVBZGHJIQRZ-UHFFFAOYSA-N 2 0 364.469 0.286 20 0 FCADRP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@@H+](CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235653791 1259580575 /nfs/dbraw/zinc/58/05/75/1259580575.db2.gz SRPZUITUDHFJPJ-QGZVFWFLSA-N 3 0 363.506 0.736 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001335278007 1259583918 /nfs/dbraw/zinc/58/39/18/1259583918.db2.gz OXDTYXOCLRVGPI-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP Cc1c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(=O)n(-c2ccccc2)n1C ZINC001235872001 1259584036 /nfs/dbraw/zinc/58/40/36/1259584036.db2.gz XLLXXZXKTJBKTE-UHFFFAOYSA-N 2 0 372.517 0.069 20 0 FCADRP [NH3+]CCN(CC[NH3+])Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC001235880770 1259584044 /nfs/dbraw/zinc/58/40/44/1259584044.db2.gz OWIZPMZRVPFZEG-UHFFFAOYSA-N 2 0 373.482 0.993 20 0 FCADRP COC(=O)c1c(F)ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1F ZINC001236314276 1259588488 /nfs/dbraw/zinc/58/84/88/1259588488.db2.gz JUOAKBAQNYLRTD-UHFFFAOYSA-N 2 0 372.416 0.367 20 0 FCADRP C[NH+](C)CCOc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309958 1259588790 /nfs/dbraw/zinc/58/87/90/1259588790.db2.gz TUNJLQJETWNDPN-UHFFFAOYSA-N 3 0 365.522 0.243 20 0 FCADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236312251 1259589442 /nfs/dbraw/zinc/58/94/42/1259589442.db2.gz OSPWQQSBVSBOPD-UHFFFAOYSA-N 2 0 366.462 0.098 20 0 FCADRP Cc1nc(C)c(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)o1 ZINC001236594245 1259590622 /nfs/dbraw/zinc/59/06/22/1259590622.db2.gz WWJAGOHPQPUZGX-UHFFFAOYSA-N 2 0 363.506 0.962 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001237057739 1259595497 /nfs/dbraw/zinc/59/54/97/1259595497.db2.gz DHDQDEHQOXOTCR-AZUAARDMSA-N 2 0 358.486 0.823 20 0 FCADRP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cnc3n2CC[NH2+]CC3)c1 ZINC001237442317 1259596190 /nfs/dbraw/zinc/59/61/90/1259596190.db2.gz FOAPBNZXMRWEDM-SFHVURJKSA-N 2 0 369.469 0.962 20 0 FCADRP CCc1n[nH]cc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001237649853 1259607615 /nfs/dbraw/zinc/60/76/15/1259607615.db2.gz VQPSPENAWPFXEJ-UHFFFAOYSA-N 2 0 362.522 0.642 20 0 FCADRP CCOC(=O)CC[C@H](NC(=O)NCCC[NH2+]CCCC[NH3+])C(=O)OCC ZINC001239252291 1259623128 /nfs/dbraw/zinc/62/31/28/1259623128.db2.gz BZZFYEDHSOKXMU-AWEZNQCLSA-N 2 0 374.482 0.279 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1=O ZINC001335369740 1259629147 /nfs/dbraw/zinc/62/91/47/1259629147.db2.gz HOCZGQLZNJWLST-YLFCFFPRSA-N 2 0 350.507 0.585 20 0 FCADRP c1c([C@H]2C[NH2+]CCO2)nc2cccc(-c3cnc(N4CC[NH2+]CC4)nc3)n12 ZINC001241899931 1259631889 /nfs/dbraw/zinc/63/18/89/1259631889.db2.gz IUTUTVNKNPISTM-QGZVFWFLSA-N 2 0 365.441 0.862 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384623 1259636900 /nfs/dbraw/zinc/63/69/00/1259636900.db2.gz PEJSOCPYJUTOIH-MAUKXSAKSA-N 2 0 369.531 0.739 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246025983 1259642829 /nfs/dbraw/zinc/64/28/29/1259642829.db2.gz CSIHTQYKMATFRR-SFHVURJKSA-N 2 0 363.502 0.643 20 0 FCADRP [NH3+]CCCNCCC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011257 1259644055 /nfs/dbraw/zinc/64/40/55/1259644055.db2.gz UEULPRNQBYLMEZ-SJORKVTESA-N 2 0 368.432 0.425 20 0 FCADRP C[NH+](C)CCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246057797 1259645089 /nfs/dbraw/zinc/64/50/89/1259645089.db2.gz HKWPJILSGHDYHV-CEXWTWQISA-N 3 0 370.488 0.811 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246033311 1259645303 /nfs/dbraw/zinc/64/53/03/1259645303.db2.gz IJYDHFBEHKCXQP-LQDZTQBFSA-N 3 0 367.440 0.648 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CN1 ZINC001246093315 1259648432 /nfs/dbraw/zinc/64/84/32/1259648432.db2.gz SJWQSPVDQCBNPD-OALUTQOASA-N 2 0 360.502 0.687 20 0 FCADRP COc1cccc(C(=O)N2CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC2)c1 ZINC001246420731 1259652893 /nfs/dbraw/zinc/65/28/93/1259652893.db2.gz ZTXCMMMYNHXFOI-KRWDZBQOSA-N 2 0 362.474 0.872 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246638713 1259656603 /nfs/dbraw/zinc/65/66/03/1259656603.db2.gz CIMISWKZJOCLDO-SFHVURJKSA-N 2 0 367.490 0.679 20 0 FCADRP O=C(CN1CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1)OCc1ccccc1 ZINC001246635269 1259657842 /nfs/dbraw/zinc/65/78/42/1259657842.db2.gz JVSHIFZBKYVYER-OAQYLSRUSA-N 2 0 372.513 0.832 20 0 FCADRP CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690753 1259659352 /nfs/dbraw/zinc/65/93/52/1259659352.db2.gz WULBKDFDRFATRZ-RXVVDRJESA-N 2 0 369.513 0.504 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246683817 1259659369 /nfs/dbraw/zinc/65/93/69/1259659369.db2.gz UIDREGDSGFFGJP-RCJHGTSTSA-N 2 0 367.490 0.535 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CN1 ZINC001246677116 1259660424 /nfs/dbraw/zinc/66/04/24/1259660424.db2.gz BTHBOVAZEFPKMT-RCJHGTSTSA-N 2 0 367.490 0.535 20 0 FCADRP Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246699737 1259661231 /nfs/dbraw/zinc/66/12/31/1259661231.db2.gz DYWUFHZICNDBAK-YFHUEUNASA-N 2 0 373.501 0.081 20 0 FCADRP C[C@@H]1CC[C@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C[NH2+]1 ZINC001246712657 1259665822 /nfs/dbraw/zinc/66/58/22/1259665822.db2.gz XOTNVRTWFWDKOR-RYRKJORJSA-N 2 0 362.522 0.967 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCC1 ZINC001246710681 1259665879 /nfs/dbraw/zinc/66/58/79/1259665879.db2.gz PJDCJBVIHFTJOO-TVFCKZIOSA-N 2 0 362.518 0.287 20 0 FCADRP Cc1ccc(N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nn1 ZINC001246723604 1259667580 /nfs/dbraw/zinc/66/75/80/1259667580.db2.gz KQNFHYDPSLRIDN-KZNAEPCWSA-N 2 0 372.517 0.406 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246728857 1259670051 /nfs/dbraw/zinc/67/00/51/1259670051.db2.gz VAKXPVYASJJJPH-LUKYLMHMSA-N 2 0 358.490 0.002 20 0 FCADRP O=C(NCc1ccco1)[C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736481 1259673676 /nfs/dbraw/zinc/67/36/76/1259673676.db2.gz ZLWAQPLKZHDANE-CYGHRXIMSA-N 2 0 374.485 0.184 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733008 1259673736 /nfs/dbraw/zinc/67/37/36/1259673736.db2.gz CPGWSPWJAUNENH-YIOZNXECSA-N 2 0 358.490 0.634 20 0 FCADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744827 1259677118 /nfs/dbraw/zinc/67/71/18/1259677118.db2.gz LTVVCOONFRCBAF-WOCWXWTJSA-N 2 0 372.517 0.976 20 0 FCADRP Cc1ccc(N([C@H]2CO[C@]3(C2)CCC[NH2+]C3)[C@@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246750608 1259680059 /nfs/dbraw/zinc/68/00/59/1259680059.db2.gz FUUIHHFNORILHI-HLIPFELVSA-N 2 0 372.517 0.597 20 0 FCADRP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754810 1259681608 /nfs/dbraw/zinc/68/16/08/1259681608.db2.gz OKVQDOVDGXEXLY-DLBZAZTESA-N 2 0 373.549 0.101 20 0 FCADRP O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756626 1259682446 /nfs/dbraw/zinc/68/24/46/1259682446.db2.gz VUQAABTVRSXUED-LNLFQRSKSA-N 2 0 355.486 0.504 20 0 FCADRP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)C2CC[NH2+]CC2)ncn1 ZINC001246765129 1259684181 /nfs/dbraw/zinc/68/41/81/1259684181.db2.gz JMIGUMJEPRFJDP-UHFFFAOYSA-N 2 0 370.505 0.643 20 0 FCADRP O=C([C@@H]1COc2ccccc2O1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246786372 1259688967 /nfs/dbraw/zinc/68/89/67/1259688967.db2.gz OHTCKARTWUALGA-YJBOKZPZSA-N 2 0 372.469 0.065 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851434 1259690112 /nfs/dbraw/zinc/69/01/12/1259690112.db2.gz GBYXZTUWRXVYGR-TYILLQQXSA-N 2 0 374.489 0.416 20 0 FCADRP O=C(c1ccccc1)N1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246817897 1259690784 /nfs/dbraw/zinc/69/07/84/1259690784.db2.gz AZPHMBRPNJODSD-LJQANCHMSA-N 2 0 359.518 0.376 20 0 FCADRP COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920233 1259696046 /nfs/dbraw/zinc/69/60/46/1259696046.db2.gz DHOPMUSNGHSISE-MOPGFXCFSA-N 2 0 372.513 0.830 20 0 FCADRP COc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246948070 1259696910 /nfs/dbraw/zinc/69/69/10/1259696910.db2.gz ALCIIGYGRUMGRO-QGZVFWFLSA-N 2 0 358.486 0.983 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4CC[NH2+]C[C@@H]4O)n3)c2)CC1 ZINC001247760969 1259704520 /nfs/dbraw/zinc/70/45/20/1259704520.db2.gz YGCIFFUBORYPCT-IRXDYDNUSA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(C45C[NH2+]CC4C[NH2+]C5)n3)c2)CC1 ZINC001247852877 1259707921 /nfs/dbraw/zinc/70/79/21/1259707921.db2.gz VGFQZXWMFSLYTM-UHFFFAOYSA-N 3 0 354.458 0.549 20 0 FCADRP O=C(NCC1(N2CCOCC2)CCOCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335570598 1259721619 /nfs/dbraw/zinc/72/16/19/1259721619.db2.gz PNNJVBBOQLJHSW-UHFFFAOYSA-N 2 0 366.506 0.699 20 0 FCADRP O[C@H](CN1CCOCC1)C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001251014280 1259728171 /nfs/dbraw/zinc/72/81/71/1259728171.db2.gz NXSHJIDORVUYDE-SFHVURJKSA-N 2 0 363.506 0.030 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC001335650845 1259764429 /nfs/dbraw/zinc/76/44/29/1259764429.db2.gz SCGCBEQCNSCNLZ-QGZVFWFLSA-N 2 0 350.463 0.222 20 0 FCADRP O=c1[nH]c(=O)c2c([nH]1)CCN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252930517 1259813725 /nfs/dbraw/zinc/81/37/25/1259813725.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 0 356.426 0.883 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CNc1cc(N2CCN(CCO)CC2)nc(C)[nH+]1 ZINC001253176634 1259826158 /nfs/dbraw/zinc/82/61/58/1259826158.db2.gz LKEFYIRKQDNCRC-INIZCTEOSA-N 2 0 366.510 0.014 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001253185294 1259827258 /nfs/dbraw/zinc/82/72/58/1259827258.db2.gz FBNQHUUABORCKR-MKXGPGLRSA-N 2 0 367.534 0.800 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC2 ZINC001253390732 1259838263 /nfs/dbraw/zinc/83/82/63/1259838263.db2.gz AFWIDVZWZRNKSR-MRXNPFEDSA-N 2 0 367.538 0.916 20 0 FCADRP O=C1COCC2(CC[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)N1 ZINC001254036413 1259868868 /nfs/dbraw/zinc/86/88/68/1259868868.db2.gz MZVDJVGMCVIPBI-UHFFFAOYSA-N 2 0 373.497 0.995 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC001331833405 1266293173 /nfs/dbraw/zinc/29/31/73/1266293173.db2.gz HKGMNLMBEBYHCG-FGTMMUONSA-N 2 0 356.470 0.636 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC[C@@H]2C1 ZINC001254948113 1259901368 /nfs/dbraw/zinc/90/13/68/1259901368.db2.gz JTMSCFFFTQNLIC-QLCXLMDBSA-N 2 0 363.502 0.855 20 0 FCADRP O=C(CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC001336036558 1259954192 /nfs/dbraw/zinc/95/41/92/1259954192.db2.gz NPMJDACRSJWKDO-OAQYLSRUSA-N 2 0 374.529 0.815 20 0 FCADRP O=C(CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC001336036556 1259954259 /nfs/dbraw/zinc/95/42/59/1259954259.db2.gz NPMJDACRSJWKDO-NRFANRHFSA-N 2 0 374.529 0.815 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001256767125 1259959155 /nfs/dbraw/zinc/95/91/55/1259959155.db2.gz ANNYMOOWUCEZSD-PBHICJAKSA-N 2 0 364.465 0.955 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[C@H]1C(=O)OC ZINC001257731827 1260028116 /nfs/dbraw/zinc/02/81/16/1260028116.db2.gz CIAZYPGCIYTQKR-USXIJHARSA-N 2 0 368.474 0.818 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H](O)C[NH3+])C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001257775886 1260029138 /nfs/dbraw/zinc/02/91/38/1260029138.db2.gz PVWKWAAZHQCFFO-IPOFZDNWSA-N 2 0 371.478 0.615 20 0 FCADRP COC(=O)CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001258370248 1260046355 /nfs/dbraw/zinc/04/63/55/1260046355.db2.gz HFWYQCCSUBXWFQ-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258373394 1260047319 /nfs/dbraw/zinc/04/73/19/1260047319.db2.gz HNUGBILHKQRGAM-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001258373395 1260047731 /nfs/dbraw/zinc/04/77/31/1260047731.db2.gz HNUGBILHKQRGAM-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273839 1260063648 /nfs/dbraw/zinc/06/36/48/1260063648.db2.gz VFPKWXWNOBKXEE-HOTGVXAUSA-N 2 0 351.495 0.467 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CC2)CC1 ZINC001336316427 1260079843 /nfs/dbraw/zinc/07/98/43/1260079843.db2.gz PQRKDRMISAZIKI-CYBMUJFWSA-N 2 0 362.478 0.221 20 0 FCADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC001336732954 1260210957 /nfs/dbraw/zinc/21/09/57/1260210957.db2.gz IVGQLDKAUXARCY-SFHVURJKSA-N 2 0 364.490 0.612 20 0 FCADRP COCc1ncc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827013 1260231384 /nfs/dbraw/zinc/23/13/84/1260231384.db2.gz PIWYNGVWPPEALF-IBGZPJMESA-N 2 0 357.458 0.932 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001262009615 1260244704 /nfs/dbraw/zinc/24/47/04/1260244704.db2.gz CSAWJCLPTCHXTO-CVEARBPZSA-N 2 0 362.478 0.433 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)c1cccn1C1CC[NH2+]CC1 ZINC001262037275 1260248909 /nfs/dbraw/zinc/24/89/09/1260248909.db2.gz RKOJFBYCDSKEBV-UHFFFAOYSA-N 2 0 355.446 0.865 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)C1 ZINC001262035571 1260249007 /nfs/dbraw/zinc/24/90/07/1260249007.db2.gz NVDMOMHQOFYDBT-KZNAEPCWSA-N 2 0 373.501 0.850 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071239 1260256180 /nfs/dbraw/zinc/25/61/80/1260256180.db2.gz UTVUDXOFAQTPLU-BGTYHANMSA-N 2 0 358.486 0.724 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001336979868 1260274900 /nfs/dbraw/zinc/27/49/00/1260274900.db2.gz ADIBJLRFFVOVRS-SFHVURJKSA-N 2 0 351.454 0.936 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001337048086 1260295180 /nfs/dbraw/zinc/29/51/80/1260295180.db2.gz PMNYMONJFMWLLA-SFHVURJKSA-N 2 0 373.501 0.976 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC001262569406 1260328330 /nfs/dbraw/zinc/32/83/30/1260328330.db2.gz XVBBRKUPPLUREF-HOTGVXAUSA-N 2 0 374.485 0.259 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574004 1260329446 /nfs/dbraw/zinc/32/94/46/1260329446.db2.gz ILPZQXVWIYQASK-WMLDXEAASA-N 2 0 371.428 0.767 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756769 1260355240 /nfs/dbraw/zinc/35/52/40/1260355240.db2.gz YTCPPKOSYGUIMS-POAQFYNOSA-N 2 0 358.486 0.128 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264651942 1260393464 /nfs/dbraw/zinc/39/34/64/1260393464.db2.gz NDPBXIIBCNGOTD-FGTMMUONSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001337487340 1260413758 /nfs/dbraw/zinc/41/37/58/1260413758.db2.gz ZJAYMKUPAFQXHC-RYQLBKOJSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001337498479 1260417069 /nfs/dbraw/zinc/41/70/69/1260417069.db2.gz HSPQRUADRXYANO-RYQLBKOJSA-N 2 0 358.486 0.820 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272744464 1260496644 /nfs/dbraw/zinc/49/66/44/1260496644.db2.gz GHNHYWSHXOWPFD-SJORKVTESA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272825132 1260512223 /nfs/dbraw/zinc/51/22/23/1260512223.db2.gz NJYVFVZUWTWRJU-IRXDYDNUSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272832765 1260513472 /nfs/dbraw/zinc/51/34/72/1260513472.db2.gz YVUMMAGQTFRZJL-XLIONFOSSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(F)C1=O ZINC001272832329 1260513756 /nfs/dbraw/zinc/51/37/56/1260513756.db2.gz HEDQXCSEIFRVQT-QZTJIDSGSA-N 2 0 372.460 0.525 20 0 FCADRP O=C(CC[NH+]1CCCC1)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273119863 1260595635 /nfs/dbraw/zinc/59/56/35/1260595635.db2.gz BZNQBJKNUPLOTJ-KRWDZBQOSA-N 2 0 360.502 0.770 20 0 FCADRP O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001273121600 1260596615 /nfs/dbraw/zinc/59/66/15/1260596615.db2.gz RYRQNONMIBINDS-QGZVFWFLSA-N 2 0 360.502 0.627 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273272594 1260645470 /nfs/dbraw/zinc/64/54/70/1260645470.db2.gz KWAFRPLUYMBNBM-IAGOWNOFSA-N 2 0 364.534 0.977 20 0 FCADRP COC(=O)Cc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278624228 1260714791 /nfs/dbraw/zinc/71/47/91/1260714791.db2.gz XPIZLEKUXKQDRX-MOPGFXCFSA-N 2 0 361.486 0.849 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279256808 1260813751 /nfs/dbraw/zinc/81/37/51/1260813751.db2.gz JPBPGRGLNUWIHD-CCKFTAQKSA-N 2 0 360.502 0.816 20 0 FCADRP Cc1c(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)cnn1C ZINC001279352380 1260847338 /nfs/dbraw/zinc/84/73/38/1260847338.db2.gz YAQTUVYWNRJGAK-IBGZPJMESA-N 2 0 362.522 0.447 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2ccncc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001279399061 1260860994 /nfs/dbraw/zinc/86/09/94/1260860994.db2.gz BPLIMRLQDQEETQ-IBGZPJMESA-N 2 0 363.481 0.939 20 0 FCADRP C[NH+](C)CCN1CCC[C@]2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)CCO2 ZINC001279481055 1260877863 /nfs/dbraw/zinc/87/78/63/1260877863.db2.gz HPECQHIHGZLRDO-ICSRJNTNSA-N 2 0 364.534 0.726 20 0 FCADRP C[NH+](C)CCN1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501458 1260881480 /nfs/dbraw/zinc/88/14/80/1260881480.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 2 0 365.566 0.546 20 0 FCADRP COCC[N@@H+]1C[C@H]2C[C@H](CC(=O)Nc3cnn(CC[NH+](C)C)c3)O[C@H]2C1 ZINC001279720657 1260921641 /nfs/dbraw/zinc/92/16/41/1260921641.db2.gz FVCQPGODJNLVBF-OIISXLGYSA-N 2 0 365.478 0.509 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C[C@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892309 1260952997 /nfs/dbraw/zinc/95/29/97/1260952997.db2.gz FUDUBUKMJDIFPR-QAPCUYQASA-N 2 0 361.490 0.877 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4nccc(NCC5CC5)n4)CC3)[C@H]2C1 ZINC001280117693 1261008069 /nfs/dbraw/zinc/00/80/69/1261008069.db2.gz LAYUFQDBUZORAK-GJZGRUSLSA-N 2 0 356.474 0.945 20 0 FCADRP O=C(c1cc2c([nH]1)C[N@H+](CC1CC[NH2+]CC1)CC2)N1CC2(CC(O)C2)C1 ZINC001280135616 1261013226 /nfs/dbraw/zinc/01/32/26/1261013226.db2.gz PGANQOKZRIWNMR-UHFFFAOYSA-N 2 0 358.486 0.969 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201379 1261030726 /nfs/dbraw/zinc/03/07/26/1261030726.db2.gz PTFSCXONTHIBQC-QRFRQXIXSA-N 2 0 365.518 0.793 20 0 FCADRP C[NH+](C)CCN1CC[C@H](C(=O)N2CCC([NH+](C)C)CC2)n2nccc2C1 ZINC001280218075 1261037326 /nfs/dbraw/zinc/03/73/26/1261037326.db2.gz FBPGZDCTCXFYRK-GOSISDBHSA-N 2 0 362.522 0.744 20 0 FCADRP CN(C)CC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280220905 1261038655 /nfs/dbraw/zinc/03/86/55/1261038655.db2.gz HYCDNLYYMVPKMX-MXSMSXNCSA-N 2 0 362.522 0.949 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@]23c2ccccc2NC3=O)CC1 ZINC001280241478 1261041326 /nfs/dbraw/zinc/04/13/26/1261041326.db2.gz HZRDACOFBFLTDN-OXJNMPFZSA-N 2 0 356.470 0.991 20 0 FCADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2nnnn2C)CC1 ZINC001280248864 1261041772 /nfs/dbraw/zinc/04/17/72/1261041772.db2.gz LYASKUDUNIFTDZ-FXUDXRNXSA-N 2 0 361.494 0.885 20 0 FCADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(=O)N(C)C)CC1 ZINC001280249817 1261042062 /nfs/dbraw/zinc/04/20/62/1261042062.db2.gz GQHNWPBEXKNLCX-KCITZHQASA-N 2 0 364.534 0.927 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259448 1261043433 /nfs/dbraw/zinc/04/34/33/1261043433.db2.gz ONGARQPFRRNBLN-MVJTYMMSSA-N 2 0 361.490 0.847 20 0 FCADRP C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001280259529 1261043797 /nfs/dbraw/zinc/04/37/97/1261043797.db2.gz PYAQGOISUWMNNS-CQSZACIVSA-N 2 0 360.506 0.891 20 0 FCADRP C[NH+](C)CCN1CCN(CC[NH+]2CCCCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280262738 1261044680 /nfs/dbraw/zinc/04/46/80/1261044680.db2.gz QDPKRSNTALVTHM-HXUWFJFHSA-N 2 0 365.566 0.690 20 0 FCADRP C[C@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001332408189 1266395933 /nfs/dbraw/zinc/39/59/33/1266395933.db2.gz HIUGKQFZNSRBQS-DLBZAZTESA-N 2 0 362.522 0.543 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001332519673 1266422096 /nfs/dbraw/zinc/42/20/96/1266422096.db2.gz HRNPWUFUFTZBQQ-DLBZAZTESA-N 2 0 362.526 0.374 20 0 FCADRP O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120511 1261637542 /nfs/dbraw/zinc/63/75/42/1261637542.db2.gz RZLXVAIQVRJNAX-GOSISDBHSA-N 2 0 359.470 0.868 20 0 FCADRP CN1CCN(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C[NH3+])C1 ZINC001345140867 1261640592 /nfs/dbraw/zinc/64/05/92/1261640592.db2.gz ILYKUHOMMMTWSV-IBGZPJMESA-N 2 0 374.533 0.218 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(O)c3)C2)CC1 ZINC001345288096 1261666760 /nfs/dbraw/zinc/66/67/60/1261666760.db2.gz APYGVLVOFUXOCW-HNNXBMFYSA-N 2 0 360.458 0.293 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001284753797 1261785926 /nfs/dbraw/zinc/78/59/26/1261785926.db2.gz ZJXVYAPSHFZSDS-FVQBIDKESA-N 2 0 359.474 0.583 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001580331078 1278130654 /nfs/dbraw/zinc/13/06/54/1278130654.db2.gz ANPRFBHXEWPXGO-BRWVUGGUSA-N 2 0 359.536 0.878 20 0 FCADRP CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001477926511 1263112233 /nfs/dbraw/zinc/11/22/33/1263112233.db2.gz IFLYANOYELPBKB-HLLBOEOZSA-N 2 0 354.495 0.506 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1c1ccccc1)[NH+](C)C ZINC001316644591 1263393748 /nfs/dbraw/zinc/39/37/48/1263393748.db2.gz SHACNWKJXAWGTA-HCXYKTFWSA-N 2 0 363.502 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001484742877 1263484746 /nfs/dbraw/zinc/48/47/46/1263484746.db2.gz QWUNKAZNRBMRDF-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001319493362 1263700439 /nfs/dbraw/zinc/70/04/39/1263700439.db2.gz FJYQLDGGYZMZGO-BGYRXZFFSA-N 2 0 366.550 0.580 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001493305207 1263716679 /nfs/dbraw/zinc/71/66/79/1263716679.db2.gz VSFRVXAAGJYZPF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001501952576 1264156961 /nfs/dbraw/zinc/15/69/61/1264156961.db2.gz RZKXPYWZNVKPRL-RBSFLKMASA-N 2 0 357.520 0.390 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001322810994 1264272954 /nfs/dbraw/zinc/27/29/54/1264272954.db2.gz HTOFXMWAQRJFER-KRWDZBQOSA-N 2 0 372.513 0.961 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001505812884 1264280707 /nfs/dbraw/zinc/28/07/07/1264280707.db2.gz FGMQKSJMEIAZMK-BRWVUGGUSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001323389747 1264418383 /nfs/dbraw/zinc/41/83/83/1264418383.db2.gz XSRSQDQPEVWPFK-HYVNUMGLSA-N 2 0 366.506 0.345 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001325366146 1264861104 /nfs/dbraw/zinc/86/11/04/1264861104.db2.gz JKKPISUFBITDLN-UHFFFAOYSA-N 2 0 373.501 0.644 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580404143 1278237776 /nfs/dbraw/zinc/23/77/76/1278237776.db2.gz UBJMBUKJCYRILP-ABAIWWIYSA-N 2 0 361.425 0.694 20 0 FCADRP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001325623059 1264950527 /nfs/dbraw/zinc/95/05/27/1264950527.db2.gz IULLSOJWSHOLJU-YQQAZPJKSA-N 2 0 366.506 0.343 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CCO1 ZINC001325666459 1264964563 /nfs/dbraw/zinc/96/45/63/1264964563.db2.gz NLJGFYJZIYJPDL-QAPCUYQASA-N 2 0 361.490 0.696 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580406135 1278239442 /nfs/dbraw/zinc/23/94/42/1278239442.db2.gz XLBJDTQAAFWBFH-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001513419499 1265111475 /nfs/dbraw/zinc/11/14/75/1265111475.db2.gz KLGVNSGFCJBUFQ-HZPDHXFCSA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC001513580820 1265228114 /nfs/dbraw/zinc/22/81/14/1265228114.db2.gz YUMBOGNYJLWSNY-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)CC1 ZINC001327122422 1265237957 /nfs/dbraw/zinc/23/79/57/1265237957.db2.gz YRXCCUONDZWHNB-NXHRZFHOSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001327430673 1265318423 /nfs/dbraw/zinc/31/84/23/1265318423.db2.gz FLBYIQZIABDNCC-MRXNPFEDSA-N 2 0 373.501 0.801 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC001327499267 1265342719 /nfs/dbraw/zinc/34/27/19/1265342719.db2.gz GBWCBYVRCFRDDF-CJNGLKHVSA-N 2 0 364.450 0.069 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001580417989 1278268286 /nfs/dbraw/zinc/26/82/86/1278268286.db2.gz UYGBMHBJKMOAMV-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001580417679 1278269501 /nfs/dbraw/zinc/26/95/01/1278269501.db2.gz IALPYVGOJCYMBK-VXGBXAGGSA-N 2 0 367.417 0.059 20 0 FCADRP COC[C@@]1(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC001524369597 1266702184 /nfs/dbraw/zinc/70/21/84/1266702184.db2.gz WSCUEUBYRJMEPL-HXUWFJFHSA-N 2 0 360.502 0.723 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001333882418 1266738504 /nfs/dbraw/zinc/73/85/04/1266738504.db2.gz CTHGIBPVVAXTAN-MGPQQGTHSA-N 2 0 350.488 0.855 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H](N3CC[NH2+]CC3)C1)C2 ZINC001334242648 1266906298 /nfs/dbraw/zinc/90/62/98/1266906298.db2.gz WRKYWRYVSWZAJR-LBPRGKRZSA-N 2 0 350.492 0.059 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001528095402 1266943860 /nfs/dbraw/zinc/94/38/60/1266943860.db2.gz VWLIGWRKOBBSLT-MNEFBYGVSA-N 2 0 358.486 0.258 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001528433176 1266969658 /nfs/dbraw/zinc/96/96/58/1266969658.db2.gz DSGUPPANVKPFMZ-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP CN1CCN(C(=O)CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001529213012 1267044593 /nfs/dbraw/zinc/04/45/93/1267044593.db2.gz UDSWKIIUPMCPQP-SFHVURJKSA-N 2 0 358.486 0.789 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001529321374 1267051486 /nfs/dbraw/zinc/05/14/86/1267051486.db2.gz CNEKZAJOBGUTHZ-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001530784531 1267113971 /nfs/dbraw/zinc/11/39/71/1267113971.db2.gz RKWCASXPOKONRZ-FVQBIDKESA-N 2 0 356.486 0.581 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1 ZINC001335141180 1267360229 /nfs/dbraw/zinc/36/02/29/1267360229.db2.gz IBRCJQCCZHMHTM-JEJOPICUSA-N 2 0 374.485 0.706 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001542692047 1267503757 /nfs/dbraw/zinc/50/37/57/1267503757.db2.gz UDDNFYMMLIKQTG-QZTJIDSGSA-N 3 0 354.539 0.829 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H]1c1ccc(F)cc1 ZINC001549030566 1267792218 /nfs/dbraw/zinc/79/22/18/1267792218.db2.gz ZTMBXHBAOXWGGP-BZUAXINKSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047566 1267795336 /nfs/dbraw/zinc/79/53/36/1267795336.db2.gz SYRDSQQKWRZACW-HUUCEWRRSA-N 2 0 358.450 0.335 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549117822 1267812467 /nfs/dbraw/zinc/81/24/67/1267812467.db2.gz VBSQWCIFLBQIIV-MDZRGWNJSA-N 2 0 358.490 0.575 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC001549132758 1267817233 /nfs/dbraw/zinc/81/72/33/1267817233.db2.gz RXWPJZQQUYSXGE-FPCVCCKLSA-N 2 0 362.478 0.704 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001549210538 1267857481 /nfs/dbraw/zinc/85/74/81/1267857481.db2.gz AGEMBJXHQVBTBW-BBWFWOEESA-N 2 0 350.438 0.949 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1 ZINC001549733014 1267981001 /nfs/dbraw/zinc/98/10/01/1267981001.db2.gz FTXDIODSCCAWTQ-RBSFLKMASA-N 2 0 357.462 0.416 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]2[NH3+])c1 ZINC001549736229 1267982544 /nfs/dbraw/zinc/98/25/44/1267982544.db2.gz QYUXGQGLPBXIJX-SJORKVTESA-N 2 0 353.470 0.995 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]2[NH3+])c1 ZINC001549736227 1267983034 /nfs/dbraw/zinc/98/30/34/1267983034.db2.gz QYUXGQGLPBXIJX-DLBZAZTESA-N 2 0 353.470 0.995 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC001549740186 1267985190 /nfs/dbraw/zinc/98/51/90/1267985190.db2.gz IJWLEUADZPUBCR-TZMCWYRMSA-N 2 0 355.389 0.619 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)nn1 ZINC001549756166 1267989817 /nfs/dbraw/zinc/98/98/17/1267989817.db2.gz GMCOAWNPLYPEBI-DDUZABMNSA-N 2 0 370.457 0.144 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549776896 1267997855 /nfs/dbraw/zinc/99/78/55/1267997855.db2.gz SNSYREVUTIBUKZ-CVEARBPZSA-N 2 0 356.467 0.481 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC001550076444 1268070810 /nfs/dbraw/zinc/07/08/10/1268070810.db2.gz YKUAHMMTBMYTEC-OAHLLOKOSA-N 2 0 362.478 0.530 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c21 ZINC001550090036 1268072225 /nfs/dbraw/zinc/07/22/25/1268072225.db2.gz CGCXGPOUIABCNZ-JKSUJKDBSA-N 2 0 361.490 0.950 20 0 FCADRP Cc1c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)nnn1[C@H]1CC[NH2+]C1 ZINC001550098178 1268074170 /nfs/dbraw/zinc/07/41/70/1268074170.db2.gz OTYNFHTYWDGYSP-HNNXBMFYSA-N 2 0 358.450 0.836 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCc2cccc3c2CC[NH2+]C3)cnn1C ZINC001550091516 1268074237 /nfs/dbraw/zinc/07/42/37/1268074237.db2.gz REHHQOMBQSWOGQ-RTBURBONSA-N 2 0 353.470 0.994 20 0 FCADRP COc1ccc([C@H]2CN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)C[C@H]2[NH3+])cc1 ZINC001550102985 1268075077 /nfs/dbraw/zinc/07/50/77/1268075077.db2.gz RDLMJVJQVWKSLL-IAGOWNOFSA-N 2 0 370.457 0.778 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001338754616 1268075044 /nfs/dbraw/zinc/07/50/44/1268075044.db2.gz KJTPYEQDTSQTIV-KBAYOESNSA-N 2 0 371.485 0.465 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cnn1C ZINC001550114888 1268076539 /nfs/dbraw/zinc/07/65/39/1268076539.db2.gz BTORTELWRDMUKV-YTQUADARSA-N 2 0 353.470 0.862 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC001550202112 1268091591 /nfs/dbraw/zinc/09/15/91/1268091591.db2.gz OZBWQRCFTZUOCV-WMLDXEAASA-N 2 0 356.430 0.608 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)cc1 ZINC001550202245 1268091869 /nfs/dbraw/zinc/09/18/69/1268091869.db2.gz RRTBFTDYAQONFH-NVXWUHKLSA-N 2 0 370.457 0.916 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001550201831 1268092296 /nfs/dbraw/zinc/09/22/96/1268092296.db2.gz JGWFOFMROJKXTF-GJZGRUSLSA-N 2 0 354.470 0.657 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001550285490 1268104374 /nfs/dbraw/zinc/10/43/74/1268104374.db2.gz QNDRMVQELSKYIV-ZIAGYGMSSA-N 2 0 369.416 0.866 20 0 FCADRP Cn1nccc1[C@@H]1[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)CCC[NH+]1C ZINC001550360537 1268106232 /nfs/dbraw/zinc/10/62/32/1268106232.db2.gz GGJJQFKNIRUMNV-QAPCUYQASA-N 2 0 362.522 0.413 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H](O)C2 ZINC001550485108 1268127955 /nfs/dbraw/zinc/12/79/55/1268127955.db2.gz QWOWSWKRHSYGBU-DFEOGRTESA-N 2 0 352.523 0.076 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001550733619 1268158141 /nfs/dbraw/zinc/15/81/41/1268158141.db2.gz XAKPDGNSHFIJJP-UPTPFMHGSA-N 2 0 354.495 0.698 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C[C@H]2[NH3+])c1 ZINC001550757315 1268163163 /nfs/dbraw/zinc/16/31/63/1268163163.db2.gz OBSABRILQINBQQ-BRWVUGGUSA-N 2 0 354.458 0.571 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccccc1F ZINC001550911012 1268182738 /nfs/dbraw/zinc/18/27/38/1268182738.db2.gz CUJSTIDUQVLBFK-VQIMIIECSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001550911764 1268184078 /nfs/dbraw/zinc/18/40/78/1268184078.db2.gz GCKBDKXXHGXZHB-QHHYFVSCSA-N 2 0 350.507 0.727 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC001550912067 1268184612 /nfs/dbraw/zinc/18/46/12/1268184612.db2.gz FFXITPBIBNFFST-SUMWQHHRSA-N 2 0 365.865 0.910 20 0 FCADRP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001550979680 1268187850 /nfs/dbraw/zinc/18/78/50/1268187850.db2.gz BVLJUQMZQLMUJW-OIISXLGYSA-N 2 0 354.495 0.336 20 0 FCADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980914 1268189838 /nfs/dbraw/zinc/18/98/38/1268189838.db2.gz SKYUHVKHZZRSFE-YESZJQIVSA-N 2 0 354.495 0.600 20 0 FCADRP CNC(=O)[C@@]12C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@H]1COCC2 ZINC001551427907 1268245338 /nfs/dbraw/zinc/24/53/38/1268245338.db2.gz VCTGNEQPTMXVGX-KXBFYZLASA-N 2 0 366.506 0.060 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC001551464399 1268256910 /nfs/dbraw/zinc/25/69/10/1268256910.db2.gz CXZLUFAAHFTXDQ-GRYCIOLGSA-N 2 0 350.385 0.676 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465630 1268257150 /nfs/dbraw/zinc/25/71/50/1268257150.db2.gz YECOTPVZMMIGKM-IAGOWNOFSA-N 2 0 365.522 0.176 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551471752 1268258130 /nfs/dbraw/zinc/25/81/30/1268258130.db2.gz XCLJELFCLBWNGX-HRCADAONSA-N 2 0 354.495 0.242 20 0 FCADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551494299 1268261484 /nfs/dbraw/zinc/26/14/84/1268261484.db2.gz GJFHOMYMFJOYPN-UMHPPVOVSA-N 2 0 360.458 1.000 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@H]1C ZINC001551546887 1268264393 /nfs/dbraw/zinc/26/43/93/1268264393.db2.gz VWIBUCULNFXMEU-DHMWGJHJSA-N 2 0 364.412 0.625 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C[C@@]2(C)C1 ZINC001551553025 1268265523 /nfs/dbraw/zinc/26/55/23/1268265523.db2.gz GNOMAVOHTKQSDD-IIHSZXCVSA-N 2 0 363.506 0.226 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551557720 1268268961 /nfs/dbraw/zinc/26/89/61/1268268961.db2.gz CTVWGIHMYAJPCX-UWWQBHOKSA-N 2 0 365.522 0.807 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557264 1268269085 /nfs/dbraw/zinc/26/90/85/1268269085.db2.gz UUHMJVMAYNFRFP-DOTOQJQBSA-N 2 0 365.522 0.759 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560950 1268270967 /nfs/dbraw/zinc/27/09/67/1268270967.db2.gz IRJSCIYHMAFVQE-IEZWGBDMSA-N 2 0 363.506 0.370 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551562397 1268272112 /nfs/dbraw/zinc/27/21/12/1268272112.db2.gz MNHJGZGGDRNTDB-NVXWUHKLSA-N 2 0 365.522 0.759 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H]1C ZINC001551563813 1268272585 /nfs/dbraw/zinc/27/25/85/1268272585.db2.gz RZEOFCVSEPVVEP-CXHZTBPHSA-N 2 0 365.522 0.757 20 0 FCADRP [NH3+][C@H]1CC12CCC(NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001551567582 1268273296 /nfs/dbraw/zinc/27/32/96/1268273296.db2.gz INYSIJQEINQXSY-SBEAFCBVSA-N 2 0 363.428 0.782 20 0 FCADRP [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001551567566 1268273490 /nfs/dbraw/zinc/27/34/90/1268273490.db2.gz INYSIJQEINQXSY-DNCHLWJUSA-N 2 0 363.428 0.782 20 0 FCADRP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576169 1268275245 /nfs/dbraw/zinc/27/52/45/1268275245.db2.gz HNXXFQFUBNQJLW-IEBWSBKVSA-N 2 0 373.501 0.852 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC001551578926 1268276565 /nfs/dbraw/zinc/27/65/65/1268276565.db2.gz NMPHNDJYMAVUNX-WBVHZDCISA-N 2 0 363.506 0.418 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC001551578924 1268276651 /nfs/dbraw/zinc/27/66/51/1268276651.db2.gz NMPHNDJYMAVUNX-RDJZCZTQSA-N 2 0 363.506 0.418 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551581407 1268278123 /nfs/dbraw/zinc/27/81/23/1268278123.db2.gz QXTSLMIPQPOKNR-ZMSDIMECSA-N 2 0 351.495 0.369 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001551583774 1268278580 /nfs/dbraw/zinc/27/85/80/1268278580.db2.gz WRLCKOQJKLMIDS-INMHGKMJSA-N 2 0 351.495 0.417 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585334 1268279483 /nfs/dbraw/zinc/27/94/83/1268279483.db2.gz APKSEBRKBKZBDK-RYRKJORJSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551586905 1268279678 /nfs/dbraw/zinc/27/96/78/1268279678.db2.gz CZIIFMLCLMHQPT-JFIYKMOQSA-N 2 0 365.522 0.805 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)nc1 ZINC001551591923 1268280523 /nfs/dbraw/zinc/28/05/23/1268280523.db2.gz PKNIYBSJWZEKGT-KOHRHEQBSA-N 2 0 358.490 0.855 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551593959 1268282183 /nfs/dbraw/zinc/28/21/83/1268282183.db2.gz OOONCVXGBWSOFJ-VYDXJSESSA-N 2 0 351.495 0.369 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC001552008988 1268351035 /nfs/dbraw/zinc/35/10/35/1268351035.db2.gz CSZPPVUKLQPCHM-FGTMMUONSA-N 2 0 367.538 0.517 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)C1 ZINC001552096930 1268372574 /nfs/dbraw/zinc/37/25/74/1268372574.db2.gz XGCZJLYZQQTERS-BSDSXHPESA-N 2 0 368.522 0.630 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC([C@H]3OCC[C@@H]3[NH3+])CC2)cnn1C ZINC001552164746 1268397910 /nfs/dbraw/zinc/39/79/10/1268397910.db2.gz ZTJHOUUYABCPLC-XLAORIBOSA-N 2 0 361.490 0.386 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552167685 1268399742 /nfs/dbraw/zinc/39/97/42/1268399742.db2.gz HEEUJNSBVLBRSZ-MRXNPFEDSA-N 2 0 355.446 0.602 20 0 FCADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CC[NH+](CCn2cccn2)CC1 ZINC001552168100 1268400669 /nfs/dbraw/zinc/40/06/69/1268400669.db2.gz NXPQFOAFQRQOEP-INIZCTEOSA-N 2 0 372.477 0.246 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cnn1C ZINC001552168268 1268400703 /nfs/dbraw/zinc/40/07/03/1268400703.db2.gz QZCPWPPLEAXWHM-SZMVWBNQSA-N 2 0 361.490 0.212 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)nn1 ZINC001552179595 1268403838 /nfs/dbraw/zinc/40/38/38/1268403838.db2.gz LPNQPXULWYSVAV-MXASKKJJSA-N 2 0 362.478 0.065 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC001552214650 1268412256 /nfs/dbraw/zinc/41/22/56/1268412256.db2.gz XOVWODSBWUQPGX-FGTMMUONSA-N 2 0 362.474 0.900 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cnn1C ZINC001552215135 1268412374 /nfs/dbraw/zinc/41/23/74/1268412374.db2.gz CDHOJRXLAHGJHC-SZMVWBNQSA-N 2 0 361.490 0.401 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234461 1268417566 /nfs/dbraw/zinc/41/75/66/1268417566.db2.gz BYBLWKYXHFLYBM-RDJZCZTQSA-N 2 0 369.473 0.970 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCc3sc(C[NH3+])nc3C2)cnn1C ZINC001552283362 1268432188 /nfs/dbraw/zinc/43/21/88/1268432188.db2.gz RGAAIJMYLPUTNC-QWHCGFSZSA-N 2 0 360.487 0.532 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001340119134 1268441550 /nfs/dbraw/zinc/44/15/50/1268441550.db2.gz NKVYZTVCIIYCEE-QLFBSQMISA-N 2 0 356.536 0.564 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001340120961 1268442171 /nfs/dbraw/zinc/44/21/71/1268442171.db2.gz MPZRFHXFFFKMMD-BBWFWOEESA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421429 1268460273 /nfs/dbraw/zinc/46/02/73/1268460273.db2.gz FHNAULKGIWHYEX-ROUUACIJSA-N 2 0 352.523 0.630 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437450 1268463639 /nfs/dbraw/zinc/46/36/39/1268463639.db2.gz ZFWXRTCMLFCDRD-QGZVFWFLSA-N 2 0 369.473 0.910 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001340271029 1268494074 /nfs/dbraw/zinc/49/40/74/1268494074.db2.gz DRJVAAXYXUCHJT-KRWDZBQOSA-N 2 0 363.510 0.706 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552696125 1268523228 /nfs/dbraw/zinc/52/32/28/1268523228.db2.gz GARLMQHCFIQZNM-OAHLLOKOSA-N 2 0 360.506 0.775 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552700848 1268523327 /nfs/dbraw/zinc/52/33/27/1268523327.db2.gz RUUOPDBACDVVGQ-ZBFHGGJFSA-N 2 0 350.467 0.515 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552696124 1268523767 /nfs/dbraw/zinc/52/37/67/1268523767.db2.gz GARLMQHCFIQZNM-HNNXBMFYSA-N 2 0 360.506 0.775 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552696674 1268524298 /nfs/dbraw/zinc/52/42/98/1268524298.db2.gz WQQKJIISOWGPMJ-RDJZCZTQSA-N 2 0 363.510 0.476 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001552764019 1268540317 /nfs/dbraw/zinc/54/03/17/1268540317.db2.gz PLKHQBXOEFXIFW-YVSFHVDLSA-N 2 0 351.491 0.639 20 0 FCADRP CN1CCO[C@@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C1 ZINC001552839166 1268556403 /nfs/dbraw/zinc/55/64/03/1268556403.db2.gz FXNFQLUSYUVTMU-NSHDSACASA-N 2 0 358.393 0.201 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1n1ccnn1 ZINC001552850466 1268559813 /nfs/dbraw/zinc/55/98/13/1268559813.db2.gz DPCAHNNAJLMROU-FPCVCCKLSA-N 2 0 360.849 0.645 20 0 FCADRP Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552924420 1268566373 /nfs/dbraw/zinc/56/63/73/1268566373.db2.gz AQWXGHBXYWXZKH-BBRMVZONSA-N 2 0 355.446 0.867 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)CC1 ZINC001552976690 1268571282 /nfs/dbraw/zinc/57/12/82/1268571282.db2.gz ORTHRLIPPIREDG-GOSISDBHSA-N 2 0 351.539 0.107 20 0 FCADRP Cn1cc([C@H]2[C@@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976177 1268572245 /nfs/dbraw/zinc/57/22/45/1268572245.db2.gz OPOVONCGQKJUML-CRAIPNDOSA-N 2 0 362.522 0.413 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553347397 1268635085 /nfs/dbraw/zinc/63/50/85/1268635085.db2.gz CFKIFVYFZWBKCH-CYBMUJFWSA-N 2 0 361.471 0.991 20 0 FCADRP O=C([C@H]1C[C@@H](c2ccccc2)C[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355140 1268635663 /nfs/dbraw/zinc/63/56/63/1268635663.db2.gz TYCLQYLSRTXEBD-GUDVDZBRSA-N 2 0 370.497 0.803 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553438955 1268649906 /nfs/dbraw/zinc/64/99/06/1268649906.db2.gz IMQWODSVQBOTQZ-QFBILLFUSA-N 2 0 358.490 0.775 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449586 1268652232 /nfs/dbraw/zinc/65/22/32/1268652232.db2.gz GQSYJAHYZJJDMA-DOTOQJQBSA-N 3 0 365.522 0.304 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC12CCOCC2 ZINC001553463699 1268656017 /nfs/dbraw/zinc/65/60/17/1268656017.db2.gz MNTSDVCCNCDXKO-YESZJQIVSA-N 2 0 366.506 0.514 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340873697 1268688837 /nfs/dbraw/zinc/68/88/37/1268688837.db2.gz SLOKMXJUBWKABU-AWEZNQCLSA-N 2 0 350.463 0.502 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496649 1269033655 /nfs/dbraw/zinc/03/36/55/1269033655.db2.gz LTNWEBRGJUWOMY-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP O=C(CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CC[NH2+]CC1 ZINC001580534109 1278460639 /nfs/dbraw/zinc/46/06/39/1278460639.db2.gz NKWXQDOKLDXNKP-UHFFFAOYSA-N 2 0 356.474 0.502 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001341712154 1269164640 /nfs/dbraw/zinc/16/46/40/1269164640.db2.gz JNLWLOWKMUJPHE-QZTJIDSGSA-N 2 0 373.501 0.695 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844831 1269243459 /nfs/dbraw/zinc/24/34/59/1269243459.db2.gz LOSAHYSOWCQCPF-IEBWSBKVSA-N 3 0 371.529 0.484 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958424 1269279819 /nfs/dbraw/zinc/27/98/19/1269279819.db2.gz MWHJDLWTAKCUSP-WMZOPIPTSA-N 2 0 373.501 0.297 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001565779352 1269493742 /nfs/dbraw/zinc/49/37/42/1269493742.db2.gz FARPFLXMEDQBLM-QLFBSQMISA-N 2 0 369.510 0.387 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1)C1CCC1 ZINC001566044796 1269576313 /nfs/dbraw/zinc/57/63/13/1269576313.db2.gz PTCRQWXUQTXWRM-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1OC ZINC001343100990 1269770480 /nfs/dbraw/zinc/77/04/80/1269770480.db2.gz FCRFYEMTPWLPNC-KLHDSHLOSA-N 2 0 354.495 0.010 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C ZINC001343115352 1269781120 /nfs/dbraw/zinc/78/11/20/1269781120.db2.gz BPNIBHZRUAXWRO-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP COc1cc(CNC(=O)C[C@]2(O)CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC001343394180 1269893106 /nfs/dbraw/zinc/89/31/06/1269893106.db2.gz KVXAFKRIAPZYKH-LJQANCHMSA-N 2 0 365.474 0.756 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001343605998 1269960644 /nfs/dbraw/zinc/96/06/44/1269960644.db2.gz RYDFKGKZRZTKQA-RYRKJORJSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001573646987 1270848370 /nfs/dbraw/zinc/84/83/70/1270848370.db2.gz ZBUHVRDUXNHUQK-OAHLLOKOSA-N 2 0 363.510 0.558 20 0 FCADRP C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH2+]CC1 ZINC001573858863 1270910205 /nfs/dbraw/zinc/91/02/05/1270910205.db2.gz NXNREDSJOSARIR-UHFFFAOYSA-N 2 0 363.510 0.398 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573972451 1270966635 /nfs/dbraw/zinc/96/66/35/1270966635.db2.gz BBAKRRQPJWQEJG-WQVCFCJDSA-N 2 0 372.477 0.529 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574210211 1271098759 /nfs/dbraw/zinc/09/87/59/1271098759.db2.gz IRJPDYNKYCZWER-MRXNPFEDSA-N 2 0 372.477 0.935 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260787 1271135363 /nfs/dbraw/zinc/13/53/63/1271135363.db2.gz XFXDWQYYEWNGJT-UONOGXRCSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574589721 1271388147 /nfs/dbraw/zinc/38/81/47/1271388147.db2.gz ZXQZCSIVXRWTPL-ZDUSSCGKSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574606259 1271413573 /nfs/dbraw/zinc/41/35/73/1271413573.db2.gz GKZRXAYTTZQHQI-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574670884 1271471814 /nfs/dbraw/zinc/47/18/14/1271471814.db2.gz FYNJDPSOQKCBIE-LBPRGKRZSA-N 2 0 358.450 0.475 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673125 1271476664 /nfs/dbraw/zinc/47/66/64/1271476664.db2.gz ZGYDMMMOQUKRRA-CZUORRHYSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574803223 1271540841 /nfs/dbraw/zinc/54/08/41/1271540841.db2.gz BLKWKHPGPJLYNJ-STQMWFEESA-N 2 0 358.450 0.544 20 0 FCADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574853422 1271601524 /nfs/dbraw/zinc/60/15/24/1271601524.db2.gz OVUMQOUGQIQMBQ-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853547 1271603487 /nfs/dbraw/zinc/60/34/87/1271603487.db2.gz BOXNIQWGXYMTKB-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874880 1271627265 /nfs/dbraw/zinc/62/72/65/1271627265.db2.gz FLCRIKMSTRPCOM-NEPJUHHUSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876234 1271634166 /nfs/dbraw/zinc/63/41/66/1271634166.db2.gz KXZPVXQRKARXAD-FZMZJTMJSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574879186 1271639282 /nfs/dbraw/zinc/63/92/82/1271639282.db2.gz XZOZTYWFQVFRKT-NSHDSACASA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896186 1271658275 /nfs/dbraw/zinc/65/82/75/1271658275.db2.gz BVXAPDGDLQKCSX-ZFWWWQNUSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909580 1271672019 /nfs/dbraw/zinc/67/20/19/1271672019.db2.gz PRQQUDZXXUPJSO-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909581 1271672622 /nfs/dbraw/zinc/67/26/22/1271672622.db2.gz PRQQUDZXXUPJSO-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1C[NH2+]C1 ZINC001575058793 1271703660 /nfs/dbraw/zinc/70/36/60/1271703660.db2.gz YPUKYHSZMOILLE-CQSZACIVSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H](O)C2CC[NH2+]CC2)CC1 ZINC001575068398 1271706606 /nfs/dbraw/zinc/70/66/06/1271706606.db2.gz FGDRGTFLFDJIDK-QAPCUYQASA-N 2 0 352.523 0.412 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183399 1271773038 /nfs/dbraw/zinc/77/30/38/1271773038.db2.gz HZQWTWGFUNWYDI-QAPCUYQASA-N 2 0 354.495 0.338 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183398 1271773405 /nfs/dbraw/zinc/77/34/05/1271773405.db2.gz HZQWTWGFUNWYDI-MAUKXSAKSA-N 2 0 354.495 0.338 20 0 FCADRP CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195722 1271780819 /nfs/dbraw/zinc/78/08/19/1271780819.db2.gz MMNWTLIHFUOLLO-YJBOKZPZSA-N 2 0 354.495 0.338 20 0 FCADRP CC(C)(C)OC(=O)NCC[N@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC001575223460 1271820385 /nfs/dbraw/zinc/82/03/85/1271820385.db2.gz IMJAZIULPGPVLG-MRXNPFEDSA-N 2 0 359.511 0.946 20 0 FCADRP CC(C)(C(=O)N1CCC[C@](CO)([NH2+]CCc2cn[nH]n2)C1)[NH+]1CCCC1 ZINC001575237514 1271845645 /nfs/dbraw/zinc/84/56/45/1271845645.db2.gz NXFDJDPZNFIWQW-SFHVURJKSA-N 2 0 364.494 0.165 20 0 FCADRP CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH3+])C1)[NH+](C)C ZINC001575545886 1272188969 /nfs/dbraw/zinc/18/89/69/1272188969.db2.gz QTQIJMHIMVDWCK-RRFJBIMHSA-N 2 0 363.510 0.743 20 0 FCADRP CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575681657 1272294950 /nfs/dbraw/zinc/29/49/50/1272294950.db2.gz HMWNAJWQAHLWLT-CQSZACIVSA-N 2 0 372.477 0.803 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695976 1272313767 /nfs/dbraw/zinc/31/37/67/1272313767.db2.gz KQLVFXBKMNEDNL-RHSMWYFYSA-N 2 0 364.494 0.775 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001575699678 1272319851 /nfs/dbraw/zinc/31/98/51/1272319851.db2.gz JLVUAGJAWZBHHH-KRWDZBQOSA-N 2 0 352.523 0.677 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001575699079 1272321887 /nfs/dbraw/zinc/32/18/87/1272321887.db2.gz CCTJTPMEHYGLTR-SFHVURJKSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001575701724 1272322157 /nfs/dbraw/zinc/32/21/57/1272322157.db2.gz GPFDZBPHNUZSEX-KBXCAEBGSA-N 2 0 372.473 0.886 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702093 1272322742 /nfs/dbraw/zinc/32/27/42/1272322742.db2.gz KMBFZNVONQUEJC-GOEBONIOSA-N 2 0 350.467 0.386 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1CC[NH+]1CCCC1 ZINC001575712341 1272351876 /nfs/dbraw/zinc/35/18/76/1272351876.db2.gz OPKFUEFCRWIWMT-CABCVRRESA-N 2 0 363.510 0.686 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1CC[NH+]1CCCC1 ZINC001575712343 1272352304 /nfs/dbraw/zinc/35/23/04/1272352304.db2.gz OPKFUEFCRWIWMT-HUUCEWRRSA-N 2 0 363.510 0.686 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1CC[NH+]1CCCCC1 ZINC001575716956 1272362356 /nfs/dbraw/zinc/36/23/56/1272362356.db2.gz WXIFSPSRWWFBKS-OAHLLOKOSA-N 2 0 363.510 0.830 20 0 FCADRP C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001576009269 1272703619 /nfs/dbraw/zinc/70/36/19/1272703619.db2.gz YBKGUGKWWCQHGD-JKSUJKDBSA-N 2 0 373.505 0.789 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001576052920 1272783956 /nfs/dbraw/zinc/78/39/56/1272783956.db2.gz OHUCORNFIIFAGA-QWHCGFSZSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH3+])CC1)[NH+](C)C ZINC001576066447 1272818667 /nfs/dbraw/zinc/81/86/67/1272818667.db2.gz UJRXNYKCSVIMOH-STQMWFEESA-N 2 0 370.523 0.058 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2cnn[nH]2)CCOCC1 ZINC001576070057 1272829819 /nfs/dbraw/zinc/82/98/19/1272829819.db2.gz BUWGXCDACCJDPJ-KBPBESRZSA-N 2 0 350.467 0.433 20 0 FCADRP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576112483 1272902087 /nfs/dbraw/zinc/90/20/87/1272902087.db2.gz WFLYKFLHOZYUOH-JKSUJKDBSA-N 2 0 360.506 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256063 1273040096 /nfs/dbraw/zinc/04/00/96/1273040096.db2.gz NRCHBYZZIQQMRK-KGLIPLIRSA-N 2 0 370.461 0.286 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576480504 1273318401 /nfs/dbraw/zinc/31/84/01/1273318401.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 0 352.483 0.022 20 0 FCADRP CC[C@H](C(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483302 1273323516 /nfs/dbraw/zinc/32/35/16/1273323516.db2.gz SVIKPPRYHWBIMP-OAHLLOKOSA-N 2 0 360.466 0.593 20 0 FCADRP CC1(C)[NH2+][C@H](CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CO1 ZINC001576488385 1273338165 /nfs/dbraw/zinc/33/81/65/1273338165.db2.gz CMMUVWXDWWJMLN-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576489188 1273340243 /nfs/dbraw/zinc/34/02/43/1273340243.db2.gz FBZQWJFZLQIWQU-ZFWWWQNUSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491017 1273344955 /nfs/dbraw/zinc/34/49/55/1273344955.db2.gz RMMXOEGVHXKQKJ-DOMZBBRYSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)[NH+](C)C ZINC001576491723 1273346026 /nfs/dbraw/zinc/34/60/26/1273346026.db2.gz FGINBFJZGAPFII-XJKCOSOUSA-N 2 0 372.477 0.530 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492725 1273350601 /nfs/dbraw/zinc/35/06/01/1273350601.db2.gz RNSYKDHOFFAAGI-XJKSGUPXSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576497894 1273355269 /nfs/dbraw/zinc/35/52/69/1273355269.db2.gz HPOLXQBJWZCHDT-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576498727 1273360368 /nfs/dbraw/zinc/36/03/68/1273360368.db2.gz MCUNQSCXFXSXRJ-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576506699 1273377175 /nfs/dbraw/zinc/37/71/75/1273377175.db2.gz SNJJFQVZYKFXGK-XJKCOSOUSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576514650 1273395901 /nfs/dbraw/zinc/39/59/01/1273395901.db2.gz CXEVCNNCAUBJQZ-JSGCOSHPSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576518779 1273404658 /nfs/dbraw/zinc/40/46/58/1273404658.db2.gz MWBZQLWNVOCNJX-SEEARECTSA-N 2 0 372.477 0.863 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748489 1273620773 /nfs/dbraw/zinc/62/07/73/1273620773.db2.gz XUBFTSPRQHBVFC-CUSZFKRNSA-N 2 0 360.506 0.858 20 0 FCADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576767083 1273642586 /nfs/dbraw/zinc/64/25/86/1273642586.db2.gz KJLKEDYNPYXMEV-IUODEOHRSA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576785343 1273676773 /nfs/dbraw/zinc/67/67/73/1273676773.db2.gz KRVSTDRGIFZXPJ-LBPRGKRZSA-N 2 0 358.450 0.475 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794282 1273697001 /nfs/dbraw/zinc/69/70/01/1273697001.db2.gz DRANWKAQOAIHBF-HUUCEWRRSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC001576830283 1273755410 /nfs/dbraw/zinc/75/54/10/1273755410.db2.gz FOEVUGCTVPMMGU-LDDOYCOJSA-N 2 0 364.494 0.370 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)C1 ZINC001576996867 1274029038 /nfs/dbraw/zinc/02/90/38/1274029038.db2.gz XXELKMZINXIOGK-SOUVJXGZSA-N 2 0 363.510 0.492 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499482 1274456208 /nfs/dbraw/zinc/45/62/08/1274456208.db2.gz MLFKYRSCETXHTC-RBSFLKMASA-N 2 0 363.510 0.745 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499480 1274456222 /nfs/dbraw/zinc/45/62/22/1274456222.db2.gz MLFKYRSCETXHTC-KFWWJZLASA-N 2 0 363.510 0.745 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550279 1274489418 /nfs/dbraw/zinc/48/94/18/1274489418.db2.gz CGNHPYPAXVSESI-KBPBESRZSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577555090 1274496433 /nfs/dbraw/zinc/49/64/33/1274496433.db2.gz XQZCGDLDNUEXBJ-ZFWWWQNUSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577556816 1274498762 /nfs/dbraw/zinc/49/87/62/1274498762.db2.gz IUYXAZLTJOGSFJ-KBPBESRZSA-N 2 0 370.461 0.701 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558217 1274502034 /nfs/dbraw/zinc/50/20/34/1274502034.db2.gz DJJWKROACHNNMR-DZGCQCFKSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558555 1274504287 /nfs/dbraw/zinc/50/42/87/1274504287.db2.gz KVBFTKXXRVATKW-GOSISDBHSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577560815 1274508414 /nfs/dbraw/zinc/50/84/14/1274508414.db2.gz IHHDZDIJWOREFL-CYBMUJFWSA-N 2 0 358.450 0.607 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577561151 1274510086 /nfs/dbraw/zinc/51/00/86/1274510086.db2.gz RIJQGSCSLLQGLX-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577565161 1274520475 /nfs/dbraw/zinc/52/04/75/1274520475.db2.gz LGSIJHZUFRZELL-GASCZTMLSA-N 2 0 357.462 0.945 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567794 1274523377 /nfs/dbraw/zinc/52/33/77/1274523377.db2.gz HLLXUUYRVFIUAT-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576292 1274543069 /nfs/dbraw/zinc/54/30/69/1274543069.db2.gz VBMCIYCMPUUYOU-JOCQHMNTSA-N 2 0 358.450 0.475 20 0 FCADRP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577597955 1274565602 /nfs/dbraw/zinc/56/56/02/1274565602.db2.gz MQFRRKJNRGSBLQ-CQSZACIVSA-N 2 0 372.477 0.854 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH2+]C)C1 ZINC001577681300 1274730120 /nfs/dbraw/zinc/73/01/20/1274730120.db2.gz QQLOEPADANCPDI-KFWWJZLASA-N 2 0 363.510 0.758 20 0 FCADRP CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001577687739 1274741825 /nfs/dbraw/zinc/74/18/25/1274741825.db2.gz RAIPXHQAVMPRAD-LSDHHAIUSA-N 2 0 363.510 0.889 20 0 FCADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2 ZINC001580765562 1278894994 /nfs/dbraw/zinc/89/49/94/1278894994.db2.gz PGCUGNULWDSZFE-CRAIPNDOSA-N 2 0 363.483 0.855 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763954 1274848906 /nfs/dbraw/zinc/84/89/06/1274848906.db2.gz NABGZRMTKOHYPK-ZFWWWQNUSA-N 2 0 361.494 0.499 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763953 1274848957 /nfs/dbraw/zinc/84/89/57/1274848957.db2.gz NABGZRMTKOHYPK-UKRRQHHQSA-N 2 0 361.494 0.499 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC001577763611 1274849265 /nfs/dbraw/zinc/84/92/65/1274849265.db2.gz FYRBXLKTNNLPMI-IJEWVQPXSA-N 2 0 358.494 0.804 20 0 FCADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH2+]CC2)CC1 ZINC001577775480 1274866852 /nfs/dbraw/zinc/86/68/52/1274866852.db2.gz HFJYVOBXTRBBCJ-QGZVFWFLSA-N 2 0 363.554 0.912 20 0 FCADRP CC[NH+]1CCN(CCCn2c([C@H]3CCC[NH2+]C3)nnc2N(C)OC)CC1 ZINC001577778329 1274871402 /nfs/dbraw/zinc/87/14/02/1274871402.db2.gz SXRYBHSJZQYOMH-INIZCTEOSA-N 2 0 365.526 0.770 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@@H]1C ZINC001577782026 1274876059 /nfs/dbraw/zinc/87/60/59/1274876059.db2.gz SXZLDUCYVKKOKY-MAUKXSAKSA-N 2 0 366.510 0.808 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849350 1274984911 /nfs/dbraw/zinc/98/49/11/1274984911.db2.gz KHFLUOOBWVQJPY-UHFFFAOYSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852606 1275001358 /nfs/dbraw/zinc/00/13/58/1275001358.db2.gz VSBMQFYDZFYSLQ-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577856375 1275011946 /nfs/dbraw/zinc/01/19/46/1275011946.db2.gz XQCFCENQUUOFIA-DZGCQCFKSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862367 1275027533 /nfs/dbraw/zinc/02/75/33/1275027533.db2.gz AAUAMQROYLPGGM-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882575 1275082444 /nfs/dbraw/zinc/08/24/44/1275082444.db2.gz HENZBBBVODHTMC-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883281 1275085450 /nfs/dbraw/zinc/08/54/50/1275085450.db2.gz XYOSZSWUJLADGK-IUODEOHRSA-N 2 0 358.450 0.284 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883282 1275085770 /nfs/dbraw/zinc/08/57/70/1275085770.db2.gz XYOSZSWUJLADGK-SWLSCSKDSA-N 2 0 358.450 0.284 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577883372 1275086613 /nfs/dbraw/zinc/08/66/13/1275086613.db2.gz ZNKOVXCLQDFJHG-KGLIPLIRSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577888688 1275095758 /nfs/dbraw/zinc/09/57/58/1275095758.db2.gz SVCLEEBMTPCNOA-OAHLLOKOSA-N 2 0 374.493 0.968 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892057 1275100653 /nfs/dbraw/zinc/10/06/53/1275100653.db2.gz JZCJKBMLYDEHIK-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP CCOCCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578115267 1275417054 /nfs/dbraw/zinc/41/70/54/1275417054.db2.gz DHPXOBZUFNANSK-YJBOKZPZSA-N 2 0 366.510 0.632 20 0 FCADRP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC[NH3+] ZINC001578134932 1275433751 /nfs/dbraw/zinc/43/37/51/1275433751.db2.gz HBSGDBFKXSXWNK-MRXNPFEDSA-N 2 0 365.526 0.378 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578218969 1275511325 /nfs/dbraw/zinc/51/13/25/1275511325.db2.gz AQJFBOGHKUESCV-MRXNPFEDSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219540 1275517659 /nfs/dbraw/zinc/51/76/59/1275517659.db2.gz MNLFSMSZEBMMLH-BBRMVZONSA-N 2 0 372.477 0.783 20 0 FCADRP O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC001580803150 1278962214 /nfs/dbraw/zinc/96/22/14/1278962214.db2.gz BBVDXLPJEKZFCJ-RDJZCZTQSA-N 2 0 357.458 0.331 20 0 FCADRP O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001580805836 1278964040 /nfs/dbraw/zinc/96/40/40/1278964040.db2.gz YAYWKRMUKMGFLU-HOTGVXAUSA-N 2 0 358.442 0.560 20 0 FCADRP CCc1nsc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC001578336437 1275689320 /nfs/dbraw/zinc/68/93/20/1275689320.db2.gz PDQNYQPZDZDFDK-CYBMUJFWSA-N 2 0 352.508 0.420 20 0 FCADRP C[NH+](C)C1(Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCOCC2)CCOCC1 ZINC001578411867 1275783362 /nfs/dbraw/zinc/78/33/62/1275783362.db2.gz YSDKWIWODYQGJM-GASCZTMLSA-N 2 0 364.494 0.430 20 0 FCADRP C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH3+])C1 ZINC001578413144 1275784731 /nfs/dbraw/zinc/78/47/31/1275784731.db2.gz HDSNSUMYLMEMNX-AWEZNQCLSA-N 2 0 363.510 0.526 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC001578418978 1275787391 /nfs/dbraw/zinc/78/73/91/1275787391.db2.gz TUAPPSYLVCQUNO-UHFFFAOYSA-N 2 0 351.520 0.930 20 0 FCADRP CC[C@@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001578419705 1275787922 /nfs/dbraw/zinc/78/79/22/1275787922.db2.gz DHVKXQZYHJNCJY-BBRMVZONSA-N 2 0 372.477 0.817 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC[NH2+]C1CC1 ZINC001578419007 1275787929 /nfs/dbraw/zinc/78/79/29/1275787929.db2.gz VDUFNKLAPUDGKH-GOSISDBHSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447188 1275839726 /nfs/dbraw/zinc/83/97/26/1275839726.db2.gz NUVMVRPPVOXTSM-DZGCQCFKSA-N 2 0 372.477 0.853 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CC)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446969 1275841534 /nfs/dbraw/zinc/84/15/34/1275841534.db2.gz JKCQOXUFSVWYEX-DZGCQCFKSA-N 2 0 372.477 0.935 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[NH3+] ZINC001578471801 1275884276 /nfs/dbraw/zinc/88/42/76/1275884276.db2.gz MVKQDUVYYRECKD-UHFFFAOYSA-N 2 0 360.466 0.241 20 0 FCADRP C[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC001578481046 1275895696 /nfs/dbraw/zinc/89/56/96/1275895696.db2.gz LBBKHYXRWXXHAE-ZFWWWQNUSA-N 2 0 361.494 0.641 20 0 FCADRP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525017 1275957175 /nfs/dbraw/zinc/95/71/75/1275957175.db2.gz MJXOMTIEPDDZJG-IAGOWNOFSA-N 2 0 352.523 0.900 20 0 FCADRP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525020 1275957393 /nfs/dbraw/zinc/95/73/93/1275957393.db2.gz MJXOMTIEPDDZJG-SJORKVTESA-N 2 0 352.523 0.900 20 0 FCADRP CN(Cc1ccco1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578525204 1275958445 /nfs/dbraw/zinc/95/84/45/1275958445.db2.gz AYGHCNCTIOJMDF-IYOUNJFTSA-N 2 0 360.462 0.779 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528711 1275959939 /nfs/dbraw/zinc/95/99/39/1275959939.db2.gz LCTXTQNOZUNSBI-OLZOCXBDSA-N 2 0 351.417 0.464 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578533486 1275964472 /nfs/dbraw/zinc/96/44/72/1275964472.db2.gz KMOGXBBRCLQJKW-IBGZPJMESA-N 2 0 352.523 0.413 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001578533579 1275965088 /nfs/dbraw/zinc/96/50/88/1275965088.db2.gz OCAJWIUULYETOO-LPHOPBHVSA-N 2 0 352.523 0.759 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCO[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001578536121 1275965508 /nfs/dbraw/zinc/96/55/08/1275965508.db2.gz BDNZUMYMEXTDPA-FQEVSTJZSA-N 2 0 358.486 0.639 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC001578536623 1275966492 /nfs/dbraw/zinc/96/64/92/1275966492.db2.gz CRNTXVIGWOZRLB-UHFFFAOYSA-N 2 0 358.490 0.871 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)CCOC)C1 ZINC001578615587 1276051567 /nfs/dbraw/zinc/05/15/67/1276051567.db2.gz NSYRTOWMQCNUNV-CVEARBPZSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](C)CCCOC)C1 ZINC001578618006 1276053499 /nfs/dbraw/zinc/05/34/99/1276053499.db2.gz QSEFDUSIWZFKNB-HZPDHXFCSA-N 2 0 366.510 0.896 20 0 FCADRP COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784085 1276265825 /nfs/dbraw/zinc/26/58/25/1276265825.db2.gz RYSUIHXIQDNEKH-GBOPCIDUSA-N 2 0 351.403 0.089 20 0 FCADRP COC(=O)c1ccc2c(c1)CC[C@@H]([NH2+]Cc1c(C[NH3+])cnn1C)C(=O)N2 ZINC001578874758 1276402551 /nfs/dbraw/zinc/40/25/51/1276402551.db2.gz QRLJJUQJTMLBIP-OAHLLOKOSA-N 2 0 357.414 0.709 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001578973213 1276519599 /nfs/dbraw/zinc/51/95/99/1276519599.db2.gz JHSUCWFKUSGQPQ-NHAGDIPZSA-N 2 0 368.445 0.154 20 0 FCADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578973723 1276520657 /nfs/dbraw/zinc/52/06/57/1276520657.db2.gz ZKCBFUSHSWDGEX-UHFFFAOYSA-N 2 0 363.491 0.959 20 0 FCADRP COCC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[NH2+]CC1 ZINC001578975690 1276526676 /nfs/dbraw/zinc/52/66/76/1276526676.db2.gz VEMANEINSGVBAY-IRXDYDNUSA-N 2 0 353.507 0.887 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578976405 1276527700 /nfs/dbraw/zinc/52/77/00/1276527700.db2.gz YKZHKPOGTAGLLB-DOTOQJQBSA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578976749 1276529984 /nfs/dbraw/zinc/52/99/84/1276529984.db2.gz DRKJHBFJQSAJEJ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578980571 1276540954 /nfs/dbraw/zinc/54/09/54/1276540954.db2.gz LNIUVINGEMCPLB-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578980704 1276542158 /nfs/dbraw/zinc/54/21/58/1276542158.db2.gz MWYGNKWFNIIKBF-UHFFFAOYSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578985651 1276553367 /nfs/dbraw/zinc/55/33/67/1276553367.db2.gz MRLDBNIGOUGIGW-SFHVURJKSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)C[C@@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)C[C@H]1C[NH+](C)C ZINC001578992302 1276567317 /nfs/dbraw/zinc/56/73/17/1276567317.db2.gz RDOXMTLYGZXPEG-VXGBXAGGSA-N 2 0 350.496 0.494 20 0 FCADRP C[N@H+](CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006100 1276576806 /nfs/dbraw/zinc/57/68/06/1276576806.db2.gz NHRRDKRXWNBHSR-UHFFFAOYSA-N 2 0 370.461 0.475 20 0 FCADRP C[N@H+](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579015298 1276589503 /nfs/dbraw/zinc/58/95/03/1276589503.db2.gz SCTFPBXYSCYRJW-UHFFFAOYSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@H+](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001579015209 1276590779 /nfs/dbraw/zinc/59/07/79/1276590779.db2.gz OVLJNOQZXDZOGK-UHFFFAOYSA-N 2 0 369.473 0.899 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037171 1276620379 /nfs/dbraw/zinc/62/03/79/1276620379.db2.gz IRELVHVIISYJGC-OWCLPIDISA-N 2 0 354.495 0.047 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH3+])C[C@@H]1C ZINC001579038375 1276622606 /nfs/dbraw/zinc/62/26/06/1276622606.db2.gz GOAQXHMVZPYYEP-GJZGRUSLSA-N 2 0 374.493 0.487 20 0 FCADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579133619 1276834359 /nfs/dbraw/zinc/83/43/59/1276834359.db2.gz ZHSPVGGMLDCQHD-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001579163739 1276914483 /nfs/dbraw/zinc/91/44/83/1276914483.db2.gz AIFCLAUBQOMTHC-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168723 1276920667 /nfs/dbraw/zinc/92/06/67/1276920667.db2.gz IVJQJPZLXPKQPY-XJKSGUPXSA-N 2 0 370.461 0.831 20 0 FCADRP CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579175793 1276935659 /nfs/dbraw/zinc/93/56/59/1276935659.db2.gz MIQFWVBMHIKHQU-CYBMUJFWSA-N 2 0 358.450 0.689 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326821 1277152887 /nfs/dbraw/zinc/15/28/87/1277152887.db2.gz MUYAKKOZHLDLQR-DOTOQJQBSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327515 1277154057 /nfs/dbraw/zinc/15/40/57/1277154057.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327379 1277154574 /nfs/dbraw/zinc/15/45/74/1277154574.db2.gz RLSRFIHDTBWSDC-WBVHZDCISA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579327846 1277154597 /nfs/dbraw/zinc/15/45/97/1277154597.db2.gz YALJGPKEHHMFKQ-HNNXBMFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579327678 1277154880 /nfs/dbraw/zinc/15/48/80/1277154880.db2.gz WHPVVPDTDGQNDF-CQSZACIVSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579328639 1277156405 /nfs/dbraw/zinc/15/64/05/1277156405.db2.gz HSOYJFAVKUHXGN-HOTGVXAUSA-N 2 0 355.446 0.509 20 0 FCADRP COc1nnc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC001579328999 1277156839 /nfs/dbraw/zinc/15/68/39/1277156839.db2.gz LZBSTXAWZOWEBI-TXEJJXNPSA-N 2 0 352.464 0.979 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579331380 1277160107 /nfs/dbraw/zinc/16/01/07/1277160107.db2.gz AZUPTVHMBJIDAN-CYBMUJFWSA-N 2 0 370.461 0.689 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001579332171 1277163191 /nfs/dbraw/zinc/16/31/91/1277163191.db2.gz JTXOGNBHTMQMAG-CYBMUJFWSA-N 2 0 373.436 0.696 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001579331823 1277163472 /nfs/dbraw/zinc/16/34/72/1277163472.db2.gz GEFZUSNLNLHJFH-MRXNPFEDSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332885 1277165890 /nfs/dbraw/zinc/16/58/90/1277165890.db2.gz MHUWIEOKDYMLJH-QFBILLFUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333839 1277168767 /nfs/dbraw/zinc/16/87/67/1277168767.db2.gz SKZQIEBZDRTHRS-DNVCBOLYSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334438 1277171005 /nfs/dbraw/zinc/17/10/05/1277171005.db2.gz FCIMPIQZVAAFDV-PYLYLYNFSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579335957 1277175265 /nfs/dbraw/zinc/17/52/65/1277175265.db2.gz XHHYROIVKNKACJ-GBOPCIDUSA-N 2 0 368.445 0.012 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579335664 1277177474 /nfs/dbraw/zinc/17/74/74/1277177474.db2.gz TUKAZEOMRWSCTR-HNNXBMFYSA-N 2 0 355.446 0.366 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339977 1277186002 /nfs/dbraw/zinc/18/60/02/1277186002.db2.gz OTJFDPLCDXACDK-OAGGEKHMSA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340958 1277186685 /nfs/dbraw/zinc/18/66/85/1277186685.db2.gz DIJSJPJCMAMFRT-ZIAGYGMSSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342625 1277190678 /nfs/dbraw/zinc/19/06/78/1277190678.db2.gz APSJQQCZJDXNBX-HOCLYGCPSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353636 1277215504 /nfs/dbraw/zinc/21/55/04/1277215504.db2.gz QOFMJNZFHVQMPA-HOCLYGCPSA-N 2 0 373.436 0.791 20 0 FCADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713169702 1287269181 /nfs/dbraw/zinc/26/91/81/1287269181.db2.gz RYXABKZYKFNUDC-TVFCKZIOSA-N 2 0 358.486 0.705 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358157 1277224328 /nfs/dbraw/zinc/22/43/28/1277224328.db2.gz AIPBTERHHSREHM-IRXDYDNUSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001579358398 1277227538 /nfs/dbraw/zinc/22/75/38/1277227538.db2.gz CWZOTFYZTCCPJR-HNNXBMFYSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579363164 1277242342 /nfs/dbraw/zinc/24/23/42/1277242342.db2.gz WMKRRXDAWYMWCT-XIRDDKMYSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372120 1277253519 /nfs/dbraw/zinc/25/35/19/1277253519.db2.gz KAGKJCKZWUSQAM-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579372189 1277256980 /nfs/dbraw/zinc/25/69/80/1277256980.db2.gz ZFAAZLNJRHFZBW-MRXNPFEDSA-N 2 0 355.446 0.509 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001579444307 1277330833 /nfs/dbraw/zinc/33/08/33/1277330833.db2.gz DELDFWHKJAZNCK-RDTXWAMCSA-N 2 0 359.478 0.148 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001579855627 1277937012 /nfs/dbraw/zinc/93/70/12/1277937012.db2.gz VBKXUKZBFQLMHO-HZPDHXFCSA-N 2 0 373.461 0.134 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC001580008063 1277988971 /nfs/dbraw/zinc/98/89/71/1277988971.db2.gz CDGRJSFZNUUUKQ-AWEZNQCLSA-N 2 0 373.461 0.518 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089131 1278003790 /nfs/dbraw/zinc/00/37/90/1278003790.db2.gz LBICLJLDKXZBKG-IRXDYDNUSA-N 2 0 356.470 0.610 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580272489 1278066033 /nfs/dbraw/zinc/06/60/33/1278066033.db2.gz BFHGTEAOFYELMJ-SUMWQHHRSA-N 2 0 369.473 0.803 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC001580283455 1278084704 /nfs/dbraw/zinc/08/47/04/1278084704.db2.gz PIRWZXDQAMJULS-XQQFMLRXSA-N 2 0 352.401 0.943 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC001580283454 1278084711 /nfs/dbraw/zinc/08/47/11/1278084711.db2.gz PIRWZXDQAMJULS-UPJWGTAASA-N 2 0 352.401 0.943 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940356 1279147801 /nfs/dbraw/zinc/14/78/01/1279147801.db2.gz UOODXSBVKIRPMZ-CYBMUJFWSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961780 1279164892 /nfs/dbraw/zinc/16/48/92/1279164892.db2.gz KZLGNADIYMDOOC-CJNGLKHVSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961779 1279165893 /nfs/dbraw/zinc/16/58/93/1279165893.db2.gz KZLGNADIYMDOOC-BBRMVZONSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967488 1279169086 /nfs/dbraw/zinc/16/90/86/1279169086.db2.gz SZZIFWHEWCUANQ-UKRRQHHQSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967490 1279169229 /nfs/dbraw/zinc/16/92/29/1279169229.db2.gz SZZIFWHEWCUANQ-ZFWWWQNUSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968270 1279170060 /nfs/dbraw/zinc/17/00/60/1279170060.db2.gz NELNJTHEWKSXFK-UHFFFAOYSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987082 1279183412 /nfs/dbraw/zinc/18/34/12/1279183412.db2.gz FOUITEIKNQQUBB-IAQYHMDHSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988219 1279188170 /nfs/dbraw/zinc/18/81/70/1279188170.db2.gz QCOZWYGYTYGSOK-KBPBESRZSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990617 1279191272 /nfs/dbraw/zinc/19/12/72/1279191272.db2.gz GNWBYMGAPUSUCK-GFCCVEGCSA-N 2 0 360.466 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990715 1279193038 /nfs/dbraw/zinc/19/30/38/1279193038.db2.gz HMEHLHJIQWNFRG-TZMCWYRMSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995052 1279205774 /nfs/dbraw/zinc/20/57/74/1279205774.db2.gz WMBYGDBCQBXGDK-IUODEOHRSA-N 2 0 360.466 0.495 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002385 1279219608 /nfs/dbraw/zinc/21/96/08/1279219608.db2.gz PRTKHDSDMDAYHW-KGLIPLIRSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006051 1279225446 /nfs/dbraw/zinc/22/54/46/1279225446.db2.gz JOBPXWNKJWTFMJ-CYBMUJFWSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010148 1279235640 /nfs/dbraw/zinc/23/56/40/1279235640.db2.gz GHSQIZISFOCLIF-AAEUAGOBSA-N 2 0 358.450 0.108 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012848 1279239744 /nfs/dbraw/zinc/23/97/44/1279239744.db2.gz CFPROHNPEKBTLE-KBPBESRZSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015821 1279243542 /nfs/dbraw/zinc/24/35/42/1279243542.db2.gz DODYHJBUNNHGGX-JKSUJKDBSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581019539 1279250076 /nfs/dbraw/zinc/25/00/76/1279250076.db2.gz ADPFUHUMZQCQAD-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581020752 1279252076 /nfs/dbraw/zinc/25/20/76/1279252076.db2.gz KIRIURLUYBTWAM-UKRRQHHQSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022279 1279252625 /nfs/dbraw/zinc/25/26/25/1279252625.db2.gz YBWXVJAMIBYFJW-XJKSGUPXSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024031 1279254700 /nfs/dbraw/zinc/25/47/00/1279254700.db2.gz ZLGMRMWTTSLLDS-CQSZACIVSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024947 1279256714 /nfs/dbraw/zinc/25/67/14/1279256714.db2.gz LOPKIVIQTCSYGE-GFCCVEGCSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027581 1279260765 /nfs/dbraw/zinc/26/07/65/1279260765.db2.gz VARXTMSEHVZQGM-GFCCVEGCSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030241 1279265700 /nfs/dbraw/zinc/26/57/00/1279265700.db2.gz QOLZJJKVOXJDGB-GFCCVEGCSA-N 2 0 358.450 0.250 20 0 FCADRP CC(C)NC(=O)NCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717700741 1287432324 /nfs/dbraw/zinc/43/23/24/1287432324.db2.gz FKWYPHASOJEXCF-NVXWUHKLSA-N 2 0 367.538 0.957 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582046312 1280967844 /nfs/dbraw/zinc/96/78/44/1280967844.db2.gz DTEGISOVJSKOQF-AWEZNQCLSA-N 2 0 370.461 0.572 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582098291 1281053757 /nfs/dbraw/zinc/05/37/57/1281053757.db2.gz IOOKNXRGOPJCJI-INIZCTEOSA-N 2 0 369.473 0.901 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582099479 1281055963 /nfs/dbraw/zinc/05/59/63/1281055963.db2.gz SIWSUXRTDDDMFC-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582210401 1281191509 /nfs/dbraw/zinc/19/15/09/1281191509.db2.gz BLXWAAPHMLLGFT-CYBMUJFWSA-N 2 0 368.445 0.040 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C[C@H]1C[NH3+] ZINC001603847998 1287518264 /nfs/dbraw/zinc/51/82/64/1287518264.db2.gz VQKQPEGYQAWPFV-LXTVHRRPSA-N 2 0 360.462 0.912 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001589417481 1282872642 /nfs/dbraw/zinc/87/26/42/1282872642.db2.gz GQORRWBSMHZTDK-ZDUSSCGKSA-N 2 0 351.480 0.720 20 0 FCADRP CC(C)[C@@H](C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589762579 1282984840 /nfs/dbraw/zinc/98/48/40/1282984840.db2.gz FKBJGPJRWGGDFY-NFAHFFEMSA-N 2 0 358.450 0.354 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000741 1282987988 /nfs/dbraw/zinc/98/79/88/1282987988.db2.gz RBGVQOQHPDRXPC-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589812592 1283037144 /nfs/dbraw/zinc/03/71/44/1283037144.db2.gz AOFREGXJLVROLY-BBRMVZONSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213068 1283346135 /nfs/dbraw/zinc/34/61/35/1283346135.db2.gz ARAWZHXRUAOOII-VUWOVVPOSA-N 2 0 372.473 0.777 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001590269189 1283395304 /nfs/dbraw/zinc/39/53/04/1283395304.db2.gz QSYHJMCVPMLISO-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270632 1283396121 /nfs/dbraw/zinc/39/61/21/1283396121.db2.gz DXNKJPAGCUKHGD-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001590270779 1283396449 /nfs/dbraw/zinc/39/64/49/1283396449.db2.gz MSBYUQCLWKNJFP-LBPRGKRZSA-N 2 0 361.425 0.553 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001590271213 1283397767 /nfs/dbraw/zinc/39/77/67/1283397767.db2.gz VNCGVTOTMIRNHF-BMFZPTHFSA-N 2 0 369.473 0.945 20 0 FCADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001590370740 1283506774 /nfs/dbraw/zinc/50/67/74/1283506774.db2.gz UHQXXNRGRVXKKA-JFDDCEBESA-N 2 0 357.462 0.969 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001590733260 1283766940 /nfs/dbraw/zinc/76/69/40/1283766940.db2.gz MPMTTYHZZWXEGJ-MRXNPFEDSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590732923 1283768533 /nfs/dbraw/zinc/76/85/33/1283768533.db2.gz IVOMLDQDPVWSEP-OAHLLOKOSA-N 2 0 358.450 0.476 20 0 FCADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001591038588 1284099679 /nfs/dbraw/zinc/09/96/79/1284099679.db2.gz ACCLWFDQKWHZPE-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[NH+]1CCCC1 ZINC001591078845 1284148181 /nfs/dbraw/zinc/14/81/81/1284148181.db2.gz YIQKFVOVPOYBON-UHFFFAOYSA-N 2 0 357.462 0.901 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001591089949 1284160867 /nfs/dbraw/zinc/16/08/67/1284160867.db2.gz WSTJNUZJYWWCCX-UHFFFAOYSA-N 2 0 356.434 0.040 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001591135253 1284206146 /nfs/dbraw/zinc/20/61/46/1284206146.db2.gz LCXLOYLKFIHJMD-SJORKVTESA-N 2 0 369.473 0.994 20 0 FCADRP C[NH+]1CCC(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001591174392 1284258591 /nfs/dbraw/zinc/25/85/91/1284258591.db2.gz MLAMCFPDQFPGCI-UHFFFAOYSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175198 1284263378 /nfs/dbraw/zinc/26/33/78/1284263378.db2.gz JCGFIDLNALKQDB-QAVQXKDTSA-N 2 0 361.475 0.642 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001591176668 1284270266 /nfs/dbraw/zinc/27/02/66/1284270266.db2.gz SIPZNDLXUKUEFI-LBPRGKRZSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176721 1284271243 /nfs/dbraw/zinc/27/12/43/1284271243.db2.gz UCQCEAGGSAQTKG-RGDDUWESSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591184726 1284290973 /nfs/dbraw/zinc/29/09/73/1284290973.db2.gz QZZYJAMIDOLKKQ-YJBOKZPZSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591186621 1284298744 /nfs/dbraw/zinc/29/87/44/1284298744.db2.gz VROLIMSYQUAMSF-OAHLLOKOSA-N 2 0 357.462 0.947 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187357 1284299933 /nfs/dbraw/zinc/29/99/33/1284299933.db2.gz QRBAMLPZLIMXFE-ZRMMWKCHSA-N 2 0 361.475 0.784 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187535 1284302657 /nfs/dbraw/zinc/30/26/57/1284302657.db2.gz YFDLOCFGRINKFH-RXYHWBRQSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001591193100 1284311159 /nfs/dbraw/zinc/31/11/59/1284311159.db2.gz QPAZEKYGAMZVIE-INIZCTEOSA-N 2 0 359.478 0.516 20 0 FCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001591284809 1284442295 /nfs/dbraw/zinc/44/22/95/1284442295.db2.gz YBWWGDNBEOAMQA-DAYGRLMNSA-N 2 0 356.430 0.622 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604681470 1287729435 /nfs/dbraw/zinc/72/94/35/1287729435.db2.gz ZNXIOYABUBYMCZ-QGZVFWFLSA-N 2 0 359.478 0.516 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001604683387 1287731343 /nfs/dbraw/zinc/73/13/43/1287731343.db2.gz SZDKJHNIJCATNR-HDJSIYSDSA-N 2 0 372.477 0.722 20 0 FCADRP Cc1cc(-c2nn[nH]n2)cnc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001591874041 1284961464 /nfs/dbraw/zinc/96/14/64/1284961464.db2.gz JYXWKBCBUHIRGP-UHFFFAOYSA-N 2 0 374.493 0.916 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)[NH+](CC)CC ZINC001719107615 1287754426 /nfs/dbraw/zinc/75/44/26/1287754426.db2.gz VJMVRBLNOVBCAQ-IXDOHACOSA-N 2 0 368.522 0.279 20 0 FCADRP Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007892 1285056708 /nfs/dbraw/zinc/05/67/08/1285056708.db2.gz SNDVLXWCJKVTLI-CYBMUJFWSA-N 2 0 356.434 0.361 20 0 FCADRP Cc1cc(NC[C@H]2CC[N@H+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[NH+]2C)[nH+]1 ZINC001592044813 1285085189 /nfs/dbraw/zinc/08/51/89/1285085189.db2.gz JQMADCOBVZYEPG-CHWSQXEVSA-N 3 0 357.466 0.802 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719120215 1287779108 /nfs/dbraw/zinc/77/91/08/1287779108.db2.gz OWFBPTJPBLLAJY-GVDBMIGSSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001604849009 1287798406 /nfs/dbraw/zinc/79/84/06/1287798406.db2.gz MOFOWXYLSVTTLC-QEJZJMRPSA-N 2 0 373.436 0.694 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001702392431 1285625837 /nfs/dbraw/zinc/62/58/37/1285625837.db2.gz VNJWLGUXPRVLPU-IKGGRYGDSA-N 2 0 368.522 0.279 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001592863966 1285768218 /nfs/dbraw/zinc/76/82/18/1285768218.db2.gz MGRGJEXGFPRNAD-OAHLLOKOSA-N 2 0 373.436 0.792 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC/C=C/C[NH3+] ZINC001609268030 1289031922 /nfs/dbraw/zinc/03/19/22/1289031922.db2.gz GCXGAGREBKPNOF-ONEGZZNKSA-N 2 0 358.450 0.455 20 0 FCADRP O=C(NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001593045892 1285935240 /nfs/dbraw/zinc/93/52/40/1285935240.db2.gz PMLGEWGYHDQKAF-UHFFFAOYSA-N 2 0 367.457 0.511 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609285036 1289048798 /nfs/dbraw/zinc/04/87/98/1289048798.db2.gz WCRJJDVFPBYPPX-INIZCTEOSA-N 2 0 359.478 0.516 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001593413113 1286135100 /nfs/dbraw/zinc/13/51/00/1286135100.db2.gz JHFHXCLYEGMPCK-SOUVJXGZSA-N 2 0 355.402 0.234 20 0 FCADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504091 1286182592 /nfs/dbraw/zinc/18/25/92/1286182592.db2.gz FUUZMAWTJIIISA-RBSFLKMASA-N 2 0 358.446 0.823 20 0 FCADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593505979 1286186607 /nfs/dbraw/zinc/18/66/07/1286186607.db2.gz UVEHGBYOCDUVTC-KSSFIOAISA-N 2 0 372.473 0.991 20 0 FCADRP O[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+](Cc2ccccc2)C1 ZINC001593516740 1286189239 /nfs/dbraw/zinc/18/92/39/1286189239.db2.gz TVBXROFGBVJFIM-SFHVURJKSA-N 2 0 351.414 0.733 20 0 FCADRP O[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+](Cc2ccccc2)C1 ZINC001593516739 1286190461 /nfs/dbraw/zinc/19/04/61/1286190461.db2.gz TVBXROFGBVJFIM-GOSISDBHSA-N 2 0 351.414 0.733 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001707024583 1286433674 /nfs/dbraw/zinc/43/36/74/1286433674.db2.gz QQXNYDXDAFJXFX-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719133019 1287798859 /nfs/dbraw/zinc/79/88/59/1287798859.db2.gz DIZVQJYAFUPASH-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)[NH+](CC)CC ZINC001719302827 1288070601 /nfs/dbraw/zinc/07/06/01/1288070601.db2.gz PUEAPTVZBUTRQC-PMPSAXMXSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001724785089 1288449717 /nfs/dbraw/zinc/44/97/17/1288449717.db2.gz HEKSKGDVODCIMP-OWCLPIDISA-N 2 0 371.547 0.780 20 0 FCADRP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001606780928 1288511666 /nfs/dbraw/zinc/51/16/66/1288511666.db2.gz RCWNTSOVBOPGDB-DOMZBBRYSA-N 2 0 356.434 0.229 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655478 1288590035 /nfs/dbraw/zinc/59/00/35/1288590035.db2.gz BKLABGGSDMMDLN-AQNXPRMDSA-N 2 0 368.481 0.994 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001734195167 1288644253 /nfs/dbraw/zinc/64/42/53/1288644253.db2.gz BZYBSUHCNDDILA-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP O[C@@H](C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)C[NH+]1CCCC1 ZINC001607094023 1288658469 /nfs/dbraw/zinc/65/84/69/1288658469.db2.gz ISDUFNRJXJWIFT-SFHVURJKSA-N 2 0 371.489 0.882 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001691909979 1289339160 /nfs/dbraw/zinc/33/91/60/1289339160.db2.gz CBKXRXUKPPZXTH-LSDHHAIUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](F)CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691907108 1289340648 /nfs/dbraw/zinc/34/06/48/1289340648.db2.gz GMTWXDQJIIDMTD-OUCADQQQSA-N 2 0 353.442 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCCOC ZINC001692027497 1289370152 /nfs/dbraw/zinc/37/01/52/1289370152.db2.gz FJJKLTBBFXHUCL-FGTMMUONSA-N 2 0 353.507 0.818 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288982 1289445416 /nfs/dbraw/zinc/44/54/16/1289445416.db2.gz FFVNRPTZXHDXPB-KFWWJZLASA-N 2 0 367.494 0.082 20 0 FCADRP CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001614036301 1289734530 /nfs/dbraw/zinc/73/45/30/1289734530.db2.gz IAVQPIXSDYYCBP-HOTGVXAUSA-N 2 0 350.511 0.949 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001702145988 1289750991 /nfs/dbraw/zinc/75/09/91/1289750991.db2.gz FUFKQOJYKGHCGR-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615851943 1289763319 /nfs/dbraw/zinc/76/33/19/1289763319.db2.gz ZJBFZQODYAQMCM-QAPCUYQASA-N 2 0 350.511 0.999 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001739385455 1289894563 /nfs/dbraw/zinc/89/45/63/1289894563.db2.gz QECSXYXBXOWBMC-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001739589290 1290206406 /nfs/dbraw/zinc/20/64/06/1290206406.db2.gz PFYXQSSMKTUPAB-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CC1 ZINC001623682027 1290229757 /nfs/dbraw/zinc/22/97/57/1290229757.db2.gz DFVJAGDPOVTTLM-QGZVFWFLSA-N 2 0 366.506 0.299 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001752926125 1290615599 /nfs/dbraw/zinc/61/55/99/1290615599.db2.gz JSXKCXPTUKRZQO-OWCLPIDISA-N 2 0 356.486 0.631 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001753049567 1290618978 /nfs/dbraw/zinc/61/89/78/1290618978.db2.gz IJQMXLSRTFVCKQ-QWHCGFSZSA-N 2 0 366.428 0.833 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001754882351 1290633879 /nfs/dbraw/zinc/63/38/79/1290633879.db2.gz AHJSBXDMNYJEMJ-RHSMWYFYSA-N 2 0 362.474 0.036 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001754864458 1290635370 /nfs/dbraw/zinc/63/53/70/1290635370.db2.gz BOJONYIPXMHOJD-NRSFXHEJSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001754980823 1290638847 /nfs/dbraw/zinc/63/88/47/1290638847.db2.gz SPRLJOFQPLSVKO-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001757470566 1290773790 /nfs/dbraw/zinc/77/37/90/1290773790.db2.gz YDUUMAQYAPMPDT-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC001643312025 1290873727 /nfs/dbraw/zinc/87/37/27/1290873727.db2.gz DIHHBNNGAUABCU-MRXNPFEDSA-N 2 0 370.538 0.602 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311851 1291405910 /nfs/dbraw/zinc/40/59/10/1291405910.db2.gz BFFKDRIUUKOIST-MSOLQXFVSA-N 2 0 373.501 0.431 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001656839697 1291566933 /nfs/dbraw/zinc/56/69/33/1291566933.db2.gz JTLSNHLJAYGUBT-IKGGRYGDSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001666552231 1291913934 /nfs/dbraw/zinc/91/39/34/1291913934.db2.gz DBAMGUHWRLNJNF-JHJVBQTASA-N 2 0 366.428 0.689 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782426 1292281937 /nfs/dbraw/zinc/28/19/37/1292281937.db2.gz JBQLVXNPQZWOPO-IAGOWNOFSA-N 2 0 355.527 0.016 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001688585972 1294511555 /nfs/dbraw/zinc/51/15/55/1294511555.db2.gz FPVCKHVUJXDNAL-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C[NH+](C)CC(C)(C)C)C2)CC[N@@H+]1C ZINC001688684842 1294521031 /nfs/dbraw/zinc/52/10/31/1294521031.db2.gz DDDUHJGUILOXHI-GDBMZVCRSA-N 2 0 352.523 0.879 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001689065790 1294589781 /nfs/dbraw/zinc/58/97/81/1294589781.db2.gz QMXZOSMIKMQNQT-ZIAGYGMSSA-N 2 0 368.503 0.362 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OCC ZINC001689065835 1294589813 /nfs/dbraw/zinc/58/98/13/1294589813.db2.gz SIMPQSRJFKSOJH-KZNAEPCWSA-N 2 0 353.507 0.818 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690338016 1294864879 /nfs/dbraw/zinc/86/48/79/1294864879.db2.gz IKKFUFQWJSSRMZ-LVQVYYBASA-N 2 0 359.536 0.777 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1nncs1 ZINC001690842892 1294887109 /nfs/dbraw/zinc/88/71/09/1294887109.db2.gz GIJMHLPCMCUZPT-IJLUTSLNSA-N 2 0 354.480 0.301 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001164735166 720520984 /nfs/dbraw/zinc/52/09/84/720520984.db2.gz VMQPAPXQMKTYGA-MRXNPFEDSA-N 2 0 355.490 0.886 20 0 FCADRP c1ncc(O[C@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164742296 720640616 /nfs/dbraw/zinc/64/06/16/720640616.db2.gz MOVQJLKBECFHLX-GJZGRUSLSA-N 2 0 353.430 0.254 20 0 FCADRP Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164743429 720807262 /nfs/dbraw/zinc/80/72/62/720807262.db2.gz FZDKHBLXXABCSY-CVEARBPZSA-N 2 0 367.457 0.604 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164847051 720832989 /nfs/dbraw/zinc/83/29/89/720832989.db2.gz HVXJAKHUYZJNGU-MAUKXSAKSA-N 2 0 361.490 0.338 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164754740 720966717 /nfs/dbraw/zinc/96/67/17/720966717.db2.gz WNQKBBROSCQWTF-UHFFFAOYSA-N 2 0 372.473 0.985 20 0 FCADRP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc1N ZINC001164875490 721283491 /nfs/dbraw/zinc/28/34/91/721283491.db2.gz WLQWFLKKBJJBBG-UHFFFAOYSA-N 2 0 361.490 0.979 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC001067536393 837465817 /nfs/dbraw/zinc/46/58/17/837465817.db2.gz WRLRKUFDMNCXNI-OIISXLGYSA-N 2 0 352.523 0.974 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070046634 837607047 /nfs/dbraw/zinc/60/70/47/837607047.db2.gz HKFMQQPWOMQCLC-CVEARBPZSA-N 2 0 352.458 0.711 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070304369 837644881 /nfs/dbraw/zinc/64/48/81/837644881.db2.gz ZGIUMIVARYTOFC-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001070807455 837682468 /nfs/dbraw/zinc/68/24/68/837682468.db2.gz VZTXVUGYYQLSRY-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099343269 844036271 /nfs/dbraw/zinc/03/62/71/844036271.db2.gz FXRYWVKIHVILRE-IJLUTSLNSA-N 2 0 350.385 0.325 20 0 FCADRP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379656526 836050077 /nfs/dbraw/zinc/05/00/77/836050077.db2.gz PKHXBOWEZHQEAZ-NVXWUHKLSA-N 2 0 352.504 0.779 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101257868 844122302 /nfs/dbraw/zinc/12/23/02/844122302.db2.gz PQSYTNADCVVADO-AOIWGVFYSA-N 2 0 353.507 0.650 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000745824653 836154218 /nfs/dbraw/zinc/15/42/18/836154218.db2.gz KPISLESVCLWNHH-QGZVFWFLSA-N 2 0 356.511 0.897 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345131 844152899 /nfs/dbraw/zinc/15/28/99/844152899.db2.gz VKNQGUHDZJOWSP-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344898 844152927 /nfs/dbraw/zinc/15/29/27/844152927.db2.gz JYXPXGZZSASRGJ-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@]2(C)C1 ZINC001101351829 844154584 /nfs/dbraw/zinc/15/45/84/844154584.db2.gz NRGJAHXUMGTGRU-FCEWJHQRSA-N 2 0 350.507 0.635 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363985 844159838 /nfs/dbraw/zinc/15/98/38/844159838.db2.gz JDGWQPWZDYUIQY-LMMKCTJWSA-N 2 0 353.507 0.772 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418136 844179878 /nfs/dbraw/zinc/17/98/78/844179878.db2.gz BEAVLNRVSKRPMD-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@]2(C)C1 ZINC001101432243 844184387 /nfs/dbraw/zinc/18/43/87/844184387.db2.gz ISAIKEDAMBQNET-LMMKCTJWSA-N 2 0 353.507 0.772 20 0 FCADRP Cc1ncoc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432652 844185420 /nfs/dbraw/zinc/18/54/20/844185420.db2.gz WXBXNXHFQJDVDP-QAPCUYQASA-N 2 0 350.463 0.842 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101443946 844188653 /nfs/dbraw/zinc/18/86/53/844188653.db2.gz QZNIFVBHTQRHQR-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061621996 836701448 /nfs/dbraw/zinc/70/14/48/836701448.db2.gz JZFICWHOOJHFGI-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061651188 836703914 /nfs/dbraw/zinc/70/39/14/836703914.db2.gz LFDGTXLHBZBPTR-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461610 844192517 /nfs/dbraw/zinc/19/25/17/844192517.db2.gz KNWPWRWEAJSBRM-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC2)CC[NH+]1C ZINC001063223670 836758296 /nfs/dbraw/zinc/75/82/96/836758296.db2.gz SMNIJRUQRZNIBN-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCC1 ZINC001063223253 836758903 /nfs/dbraw/zinc/75/89/03/836758903.db2.gz AIRVWPMMYZQFES-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC2)CC[NH+]1C ZINC001063223252 836759085 /nfs/dbraw/zinc/75/90/85/836759085.db2.gz AIRVWPMMYZQFES-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065208029 836822009 /nfs/dbraw/zinc/82/20/09/836822009.db2.gz ZBSKUUUUASMGDX-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487257 844207428 /nfs/dbraw/zinc/20/74/28/844207428.db2.gz UXGXFJOEGMJYPM-FCEWJHQRSA-N 2 0 350.507 0.907 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976189 844358004 /nfs/dbraw/zinc/35/80/04/844358004.db2.gz NYYAEEAEIKWBPB-KBAYOESNSA-N 2 0 353.507 0.675 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077129128 838754759 /nfs/dbraw/zinc/75/47/59/838754759.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 2 0 351.491 0.591 20 0 FCADRP CC(C)(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418456 838958075 /nfs/dbraw/zinc/95/80/75/838958075.db2.gz OXUPGZGWHMSIKX-ZRUZRRJWSA-N 2 0 351.491 0.447 20 0 FCADRP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418094 838958358 /nfs/dbraw/zinc/95/83/58/838958358.db2.gz IOWCNNMLFGTGBR-CBYDULDESA-N 2 0 351.491 0.447 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553164 839029917 /nfs/dbraw/zinc/02/99/17/839029917.db2.gz DKVRTOZFGOVNHT-KZNAEPCWSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045052 844395034 /nfs/dbraw/zinc/39/50/34/844395034.db2.gz PSAZGUWVZGRIJX-HUUCEWRRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051615 844396573 /nfs/dbraw/zinc/39/65/73/844396573.db2.gz AMTLDYLXVZSWAS-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077778281 839152270 /nfs/dbraw/zinc/15/22/70/839152270.db2.gz AOMIUOHHPSAAEZ-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102103389 844416649 /nfs/dbraw/zinc/41/66/49/844416649.db2.gz QQYDCTGLSCFMKS-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013243 839293137 /nfs/dbraw/zinc/29/31/37/839293137.db2.gz YCXQQIFDSBNKBF-BRWVUGGUSA-N 2 0 351.491 0.185 20 0 FCADRP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCCO1 ZINC001078402563 839456785 /nfs/dbraw/zinc/45/67/85/839456785.db2.gz RLCBSDDRFOILIT-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102188610 844439071 /nfs/dbraw/zinc/43/90/71/844439071.db2.gz BVLPGYWSMVENDB-QGPMSJSTSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215288 844447434 /nfs/dbraw/zinc/44/74/34/844447434.db2.gz ORDJZCWYFJWHEC-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079686837 839575283 /nfs/dbraw/zinc/57/52/83/839575283.db2.gz FLIUEPBDIIADFZ-BZUAXINKSA-N 2 0 351.495 0.321 20 0 FCADRP CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079946844 839628952 /nfs/dbraw/zinc/62/89/52/839628952.db2.gz CZIJVERAXSORTE-XYPHTWIQSA-N 2 0 350.507 0.726 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290500 844460217 /nfs/dbraw/zinc/46/02/17/844460217.db2.gz HGBJYROYABNVKF-HUUCEWRRSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443883 839725859 /nfs/dbraw/zinc/72/58/59/839725859.db2.gz FEKIPQOYCJNXKP-RBSFLKMASA-N 2 0 350.463 0.056 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369965 844477513 /nfs/dbraw/zinc/47/75/13/844477513.db2.gz MLCJTLPRRKMSGW-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373649 844479561 /nfs/dbraw/zinc/47/95/61/844479561.db2.gz FLYPXCLGAMVURH-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102377158 844480467 /nfs/dbraw/zinc/48/04/67/844480467.db2.gz RANIBVDDQWBFRX-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081683872 840000269 /nfs/dbraw/zinc/00/02/69/840000269.db2.gz SLEGPJRLIJBMEN-TVFCKZIOSA-N 2 0 353.507 0.957 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699147 840002526 /nfs/dbraw/zinc/00/25/26/840002526.db2.gz GCGJNHHFVLYSMX-BSDSXHPESA-N 2 0 353.507 0.959 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001082104727 840188827 /nfs/dbraw/zinc/18/88/27/840188827.db2.gz WSLZXQSPMUOUMF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102495989 844531128 /nfs/dbraw/zinc/53/11/28/844531128.db2.gz XMOHHTOMXURWDE-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102497575 844531208 /nfs/dbraw/zinc/53/12/08/844531208.db2.gz ZFOLHXXLQUTILA-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328806 840313824 /nfs/dbraw/zinc/31/38/24/840313824.db2.gz MMIXNBLDHWQLBD-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328781 840314578 /nfs/dbraw/zinc/31/45/78/840314578.db2.gz KUUXDVHAZVOLSI-IAGOWNOFSA-N 2 0 351.491 0.714 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2OC)o1 ZINC001082392365 840383818 /nfs/dbraw/zinc/38/38/18/840383818.db2.gz FISGQDBCYMPUFS-FRFSOERESA-N 2 0 353.463 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082520595 840447031 /nfs/dbraw/zinc/44/70/31/840447031.db2.gz HAOMQTTXXWHYBY-QBPKDAKJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082557522 840465320 /nfs/dbraw/zinc/46/53/20/840465320.db2.gz KRELWJIXBLKPJZ-GDBMZVCRSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082559726 840465564 /nfs/dbraw/zinc/46/55/64/840465564.db2.gz NRICCGICUIFNBZ-KBRIMQKVSA-N 2 0 371.547 0.588 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511455 844542283 /nfs/dbraw/zinc/54/22/83/844542283.db2.gz XYRIYHCOTFTVHD-HUUCEWRRSA-N 2 0 352.454 0.983 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511083 844542411 /nfs/dbraw/zinc/54/24/11/844542411.db2.gz IIQRTXMFBIOEJR-HZPDHXFCSA-N 2 0 356.511 0.116 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082596429 840481885 /nfs/dbraw/zinc/48/18/85/840481885.db2.gz LDCKTTKIHNDIJK-KFWWJZLASA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513238 844544501 /nfs/dbraw/zinc/54/45/01/844544501.db2.gz AZTRVQHPZWHGBM-ZIAGYGMSSA-N 2 0 351.438 0.530 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514553 844546132 /nfs/dbraw/zinc/54/61/32/844546132.db2.gz AVVGTILPDCUBFO-BFYDXBDKSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082719747 840535645 /nfs/dbraw/zinc/53/56/45/840535645.db2.gz ISRBVSIMLODHBU-BFYDXBDKSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1)[NH+](C)C ZINC001082748209 840545974 /nfs/dbraw/zinc/54/59/74/840545974.db2.gz AEGJMTQMHWMTPC-YUELXQCFSA-N 2 0 354.520 0.995 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)C1=O ZINC001082822232 840574719 /nfs/dbraw/zinc/57/47/19/840574719.db2.gz SJMNWMWMKRIGES-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001082835040 840579192 /nfs/dbraw/zinc/57/91/92/840579192.db2.gz CJXRBQGAZRQAAE-HYVNUMGLSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082861447 840586935 /nfs/dbraw/zinc/58/69/35/840586935.db2.gz BALKIKXXCFKLFE-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001082923286 840603426 /nfs/dbraw/zinc/60/34/26/840603426.db2.gz BSRFILHOILUNRX-JKIFEVAISA-N 2 0 350.463 0.888 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082943724 840617218 /nfs/dbraw/zinc/61/72/18/840617218.db2.gz YRVWPERDQLBWIS-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)C1=O ZINC001082941915 840617273 /nfs/dbraw/zinc/61/72/73/840617273.db2.gz UNFYRWBMSSFNSM-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102601271 844591907 /nfs/dbraw/zinc/59/19/07/844591907.db2.gz UZBJSWYDTRDBFD-NVXWUHKLSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460338 841027326 /nfs/dbraw/zinc/02/73/26/841027326.db2.gz BYTXYCTVXMDCJT-BBWFWOEESA-N 2 0 353.507 0.981 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612924 844601383 /nfs/dbraw/zinc/60/13/83/844601383.db2.gz DADYKSAAHVJCFH-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612601 844601470 /nfs/dbraw/zinc/60/14/70/844601470.db2.gz OWNSUWADCRROHI-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602030 841221421 /nfs/dbraw/zinc/22/14/21/841221421.db2.gz AHXTUYIMQWBERU-BBWFWOEESA-N 2 0 351.491 0.593 20 0 FCADRP CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654973 841281572 /nfs/dbraw/zinc/28/15/72/841281572.db2.gz OXUPGZGWHMSIKX-AOZDQCPJSA-N 2 0 351.491 0.447 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782809 841432930 /nfs/dbraw/zinc/43/29/30/841432930.db2.gz MQNVEGHIHHEJRS-BACDZXNISA-N 2 0 353.507 0.695 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083833157 841479218 /nfs/dbraw/zinc/47/92/18/841479218.db2.gz LPYLMYXNHNZUSF-FGTMMUONSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1)OC ZINC001083937314 841581039 /nfs/dbraw/zinc/58/10/39/841581039.db2.gz XAOWWLXYVPEJNI-KSZLIROESA-N 2 0 353.507 0.695 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275878756 861244306 /nfs/dbraw/zinc/24/43/06/861244306.db2.gz LKRIGNCMBQILGY-IBGZPJMESA-N 2 0 351.491 0.668 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085224802 842051232 /nfs/dbraw/zinc/05/12/32/842051232.db2.gz WICGNKGYGBGDNO-OAGGEKHMSA-N 2 0 352.479 0.132 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001085395672 842093144 /nfs/dbraw/zinc/09/31/44/842093144.db2.gz WQAGGJHZBHURIB-BZUAXINKSA-N 2 0 369.531 0.534 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085422935 842099020 /nfs/dbraw/zinc/09/90/20/842099020.db2.gz OOVNICIVMRQACC-RBSFLKMASA-N 2 0 350.463 0.104 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC[N@@H+]1C ZINC001086091494 842120351 /nfs/dbraw/zinc/12/03/51/842120351.db2.gz APOTUOQVYICSHN-DMRKSPOLSA-N 2 0 350.507 0.822 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087062598 842259174 /nfs/dbraw/zinc/25/91/74/842259174.db2.gz NIQOAWVGLBFZCO-FVQBIDKESA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087062467 842259522 /nfs/dbraw/zinc/25/95/22/842259522.db2.gz HXKSGZJKTHQHIL-MGPQQGTHSA-N 2 0 355.508 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083408 842275902 /nfs/dbraw/zinc/27/59/02/842275902.db2.gz CKKZHJBRWFKJPJ-RBSFLKMASA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087100216 842289335 /nfs/dbraw/zinc/28/93/35/842289335.db2.gz KEPKFKJMMNTQRM-IIAWOOMASA-N 2 0 351.451 0.283 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001087175429 842308914 /nfs/dbraw/zinc/30/89/14/842308914.db2.gz NQVABERCIFORHV-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001087208810 842319544 /nfs/dbraw/zinc/31/95/44/842319544.db2.gz XYEZDCIOLKTZKJ-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001087245884 842323153 /nfs/dbraw/zinc/32/31/53/842323153.db2.gz PEXPAPJMZLEQDL-IKGGRYGDSA-N 2 0 371.547 0.734 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087245922 842324206 /nfs/dbraw/zinc/32/42/06/842324206.db2.gz QOISKXOCZZFTKX-ILXRZTDVSA-N 2 0 350.463 0.104 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087249226 842327244 /nfs/dbraw/zinc/32/72/44/842327244.db2.gz QBZAWEHSKNFMBK-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCN1CCNC1=O ZINC001087725940 842416113 /nfs/dbraw/zinc/41/61/13/842416113.db2.gz LFPPFVURRJEIBF-OWCLPIDISA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(Cc3ccc(O)cc3F)C2)OCC1=O ZINC001276081438 861311782 /nfs/dbraw/zinc/31/17/82/861311782.db2.gz LDHMGWHRKMBHPW-SFHVURJKSA-N 2 0 351.422 0.896 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CCCO ZINC001088574123 842617414 /nfs/dbraw/zinc/61/74/14/842617414.db2.gz DNOAAUWZNOUVMS-BGTYHANMSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088858676 842697971 /nfs/dbraw/zinc/69/79/71/842697971.db2.gz OFKCAMDGFJZJAV-ZNMIVQPWSA-N 2 0 350.463 0.199 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001088860721 842698167 /nfs/dbraw/zinc/69/81/67/842698167.db2.gz ZASIGNRNWLSHLT-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741006 843086626 /nfs/dbraw/zinc/08/66/26/843086626.db2.gz VYZJIJRQFBAQJB-KHYOSLBOSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780627 843093316 /nfs/dbraw/zinc/09/33/16/843093316.db2.gz SVXOJLPEFDPZON-OGWOLHLISA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091783235 843093539 /nfs/dbraw/zinc/09/35/39/843093539.db2.gz WRCSDSBVFKUHDE-RKVPGOIHSA-N 2 0 351.495 0.132 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCCF)C2 ZINC001091868408 843116961 /nfs/dbraw/zinc/11/69/61/843116961.db2.gz PVADTEZPFNQTJC-RVJQKTFWSA-N 2 0 351.466 0.990 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985373 843134673 /nfs/dbraw/zinc/13/46/73/843134673.db2.gz OJZTXYAEEKTUJB-SUMDDJOVSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022531 843142855 /nfs/dbraw/zinc/14/28/55/843142855.db2.gz XNZMWRXKQCVHPI-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131208 843164504 /nfs/dbraw/zinc/16/45/04/843164504.db2.gz PJLKHENFXRBUIM-GJYPPUQNSA-N 2 0 350.507 0.763 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448543 843434108 /nfs/dbraw/zinc/43/41/08/843434108.db2.gz APTYFTYUJSDOIO-XLMAVXFVSA-N 2 0 353.507 0.429 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093461434 843437863 /nfs/dbraw/zinc/43/78/63/843437863.db2.gz ITPBSOBTQKPAJB-VXNCWWDNSA-N 2 0 353.507 0.287 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093673344 843453743 /nfs/dbraw/zinc/45/37/43/843453743.db2.gz OGKCNKQSCHMROY-MCIONIFRSA-N 2 0 351.451 0.494 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093825985 843475557 /nfs/dbraw/zinc/47/55/57/843475557.db2.gz VQXHXTZBNPGYGC-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C)n1C ZINC001093859667 843479763 /nfs/dbraw/zinc/47/97/63/843479763.db2.gz YDVVNYBIXKRYIY-RBSFLKMASA-N 2 0 350.511 0.902 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1)[NH+](C)C ZINC001094049140 843508828 /nfs/dbraw/zinc/50/88/28/843508828.db2.gz IVUYNIDTPDKBFX-MCIONIFRSA-N 2 0 352.483 0.660 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@H]3CCNC3=O)[C@H](C)C2)CC1 ZINC001094143132 843522571 /nfs/dbraw/zinc/52/25/71/843522571.db2.gz HGRBRXIAAKRTMO-OIISXLGYSA-N 2 0 350.507 0.679 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412996 843549141 /nfs/dbraw/zinc/54/91/41/843549141.db2.gz RRSCNWSCAVLFLM-FRQCXROJSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062892 843959065 /nfs/dbraw/zinc/95/90/65/843959065.db2.gz LHRRHAFMJBKLMA-FCEWJHQRSA-N 2 0 350.507 0.953 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092506 843961117 /nfs/dbraw/zinc/96/11/17/843961117.db2.gz DOIUILGZMOUWNJ-BXWFABGCSA-N 2 0 350.507 0.953 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099223019 843978896 /nfs/dbraw/zinc/97/88/96/843978896.db2.gz BYFCFTRZVSCIFP-JHJVBQTASA-N 2 0 360.384 0.351 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780767 844646215 /nfs/dbraw/zinc/64/62/15/844646215.db2.gz NFEUNWLRWHAATP-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994317 844682288 /nfs/dbraw/zinc/68/22/88/844682288.db2.gz XTPAMJIPIHRQGD-NXHRZFHOSA-N 2 0 353.507 0.411 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103005079 844683097 /nfs/dbraw/zinc/68/30/97/844683097.db2.gz OOHXXZUSBQXIJJ-WCXIOVBPSA-N 2 0 373.563 0.836 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090159 844698869 /nfs/dbraw/zinc/69/88/69/844698869.db2.gz MZFWCSJVZWNYIQ-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103088071 844699267 /nfs/dbraw/zinc/69/92/67/844699267.db2.gz VLDNIVYNQBVFDT-BMFZPTHFSA-N 2 0 359.536 0.445 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103140042 844706491 /nfs/dbraw/zinc/70/64/91/844706491.db2.gz KIWOIGPPFZJHEE-BZUAXINKSA-N 2 0 353.511 0.426 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148246 844708533 /nfs/dbraw/zinc/70/85/33/844708533.db2.gz TUHTVKWHJCBCTD-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185508 844719165 /nfs/dbraw/zinc/71/91/65/844719165.db2.gz AAQQZWSQVXIQOQ-HZPDHXFCSA-N 2 0 371.547 0.734 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367689 844744655 /nfs/dbraw/zinc/74/46/55/844744655.db2.gz DSTABNIICCERTN-ICUGJSFKSA-N 2 0 355.523 0.798 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395634 844751393 /nfs/dbraw/zinc/75/13/93/844751393.db2.gz DHWAENKABWAGSS-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396673 844751410 /nfs/dbraw/zinc/75/14/10/844751410.db2.gz DMFNTJBXXQBLMG-BFYDXBDKSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001103435956 844757792 /nfs/dbraw/zinc/75/77/92/844757792.db2.gz FUGAAEQIAQCEOC-HBUWYVDXSA-N 2 0 356.486 0.758 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438611 844759105 /nfs/dbraw/zinc/75/91/05/844759105.db2.gz SLSUEDXSBFHMEV-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)CCCN1CC[C@]2(C1)CN(C[C@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609123 861495682 /nfs/dbraw/zinc/49/56/82/861495682.db2.gz HDKLEUAJMXSXLL-YJBOKZPZSA-N 2 0 355.479 0.393 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520405 844771967 /nfs/dbraw/zinc/77/19/67/844771967.db2.gz MFQSGTNHSLKMCJ-BZUAXINKSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001103631503 844792523 /nfs/dbraw/zinc/79/25/23/844792523.db2.gz PXDGBLYYWUPEHX-RHSMWYFYSA-N 2 0 350.507 0.668 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641834 844793195 /nfs/dbraw/zinc/79/31/95/844793195.db2.gz GFWBIULGMKUBTF-NVXWUHKLSA-N 2 0 351.495 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104202985 844876724 /nfs/dbraw/zinc/87/67/24/844876724.db2.gz ZACZWTNEQBKMKC-DJIMGWMZSA-N 2 0 371.547 0.447 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001104322622 844894034 /nfs/dbraw/zinc/89/40/34/844894034.db2.gz VBDSAZLNQKMPDK-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001104346786 844895899 /nfs/dbraw/zinc/89/58/99/844895899.db2.gz IZTRXLRPQDURLT-MGPQQGTHSA-N 2 0 352.483 0.023 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(N)=O ZINC001104345468 844896128 /nfs/dbraw/zinc/89/61/28/844896128.db2.gz IKUQYLXVMGEOEH-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104354186 844897036 /nfs/dbraw/zinc/89/70/36/844897036.db2.gz VJCOVDQJKLOSKP-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001104594603 844922677 /nfs/dbraw/zinc/92/26/77/844922677.db2.gz ASQDTJFTIJEMBZ-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001104594620 844923360 /nfs/dbraw/zinc/92/33/60/844923360.db2.gz BEQOEWTVPSGHRH-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001104680096 844932553 /nfs/dbraw/zinc/93/25/53/844932553.db2.gz PHPVAULGWKVVFX-ARFHVFGLSA-N 2 0 359.536 0.447 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754759 844939012 /nfs/dbraw/zinc/93/90/12/844939012.db2.gz JOMLUSFEYDNYIC-KBAYOESNSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001104782382 844941649 /nfs/dbraw/zinc/94/16/49/844941649.db2.gz YEWHLRVDVFIAFY-BZUAXINKSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001104847258 844951204 /nfs/dbraw/zinc/95/12/04/844951204.db2.gz UAAJIXVKFZJIRH-QLFBSQMISA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908521 844958827 /nfs/dbraw/zinc/95/88/27/844958827.db2.gz ZXJUFTDZJGRRSN-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCOCC(F)F ZINC001104908121 844958983 /nfs/dbraw/zinc/95/89/83/844958983.db2.gz KFMGVCVWIFMDKZ-HUUCEWRRSA-N 2 0 365.465 0.921 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008042 844969044 /nfs/dbraw/zinc/96/90/44/844969044.db2.gz MWCNYHFIMBUJLQ-ZACQAIPSSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001105014215 844969112 /nfs/dbraw/zinc/96/91/12/844969112.db2.gz HEDPCGCBROXKBK-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105066678 844977351 /nfs/dbraw/zinc/97/73/51/844977351.db2.gz BHLKGYAKLKNAIH-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105664152 845012268 /nfs/dbraw/zinc/01/22/68/845012268.db2.gz WXUPUXSECOBZDV-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001105668032 845014650 /nfs/dbraw/zinc/01/46/50/845014650.db2.gz VZEGAWFPUMUKIL-AHCXZYCDSA-N 2 0 359.486 0.500 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105669053 845015554 /nfs/dbraw/zinc/01/55/54/845015554.db2.gz PBTJNKCYGGAGRU-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCCCCC(N)=O)C2 ZINC001276671972 861528503 /nfs/dbraw/zinc/52/85/03/861528503.db2.gz SDIINZGWIYYCCT-GOSISDBHSA-N 2 0 354.495 0.145 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248037 845143162 /nfs/dbraw/zinc/14/31/62/845143162.db2.gz HXLJYBYBENBSFA-IXDOHACOSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106574245 845197738 /nfs/dbraw/zinc/19/77/38/845197738.db2.gz CUSXDRAIJSPHGP-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1 ZINC001106597998 845202843 /nfs/dbraw/zinc/20/28/43/845202843.db2.gz SYKCKOMHUNUHHJ-ZIAGYGMSSA-N 2 0 353.467 0.742 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106601769 845203010 /nfs/dbraw/zinc/20/30/10/845203010.db2.gz CDJSBQNUNSXVIJ-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106621354 845206633 /nfs/dbraw/zinc/20/66/33/845206633.db2.gz HBAAFBGMPHCFHT-RHSMWYFYSA-N 2 0 350.507 0.539 20 0 FCADRP CO[C@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001106622670 845206979 /nfs/dbraw/zinc/20/69/79/845206979.db2.gz KGJAYTLGBXGBGL-MGPQQGTHSA-N 2 0 353.467 0.913 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106621264 845207535 /nfs/dbraw/zinc/20/75/35/845207535.db2.gz ARNJXHKVWNDKOS-IJEWVQPXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)c1nccs1 ZINC001106626830 845208572 /nfs/dbraw/zinc/20/85/72/845208572.db2.gz NCDMITCTNITBHS-ZIAGYGMSSA-N 2 0 367.519 0.742 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106663265 845217248 /nfs/dbraw/zinc/21/72/48/845217248.db2.gz YWGWRLLUYCSNEF-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001106666015 845218740 /nfs/dbraw/zinc/21/87/40/845218740.db2.gz DYVWNDGTDQBQIE-ARFHVFGLSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)C1 ZINC001106665791 845218852 /nfs/dbraw/zinc/21/88/52/845218852.db2.gz BQBAHPHTFOXPFM-BFYDXBDKSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)C1 ZINC001106666768 845220568 /nfs/dbraw/zinc/22/05/68/845220568.db2.gz UJYDGATWIOTFMA-BFYDXBDKSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1)[NH+](C)C ZINC001106674073 845223578 /nfs/dbraw/zinc/22/35/78/845223578.db2.gz QHHHKKQJYXTBDJ-OAGGEKHMSA-N 2 0 361.552 0.836 20 0 FCADRP COCCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752027 845241397 /nfs/dbraw/zinc/24/13/97/845241397.db2.gz OLOUGUOHMXDPBI-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106782906 845252196 /nfs/dbraw/zinc/25/21/96/845252196.db2.gz BTIDGXQGRBWBEK-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106784379 845252246 /nfs/dbraw/zinc/25/22/46/845252246.db2.gz IGIIJAFDRNUJFR-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106782865 845252407 /nfs/dbraw/zinc/25/24/07/845252407.db2.gz AJFIVYGIQWPKSE-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001106905947 845283029 /nfs/dbraw/zinc/28/30/29/845283029.db2.gz OZTWENZJLFNUJF-HUUCEWRRSA-N 2 0 351.499 0.780 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106910990 845284468 /nfs/dbraw/zinc/28/44/68/845284468.db2.gz ZIYXNORZENWWLB-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106910723 845284787 /nfs/dbraw/zinc/28/47/87/845284787.db2.gz LVYFPPYIRMJFFT-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106982397 845300343 /nfs/dbraw/zinc/30/03/43/845300343.db2.gz JFKMVJMDOGKNDP-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001107030783 845312222 /nfs/dbraw/zinc/31/22/22/845312222.db2.gz WNHAOAZEYNJZPO-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001107037428 845317236 /nfs/dbraw/zinc/31/72/36/845317236.db2.gz GIYDBABCARBFOF-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001107042462 845318040 /nfs/dbraw/zinc/31/80/40/845318040.db2.gz NMMMHYCJBSRNSG-BZUAXINKSA-N 2 0 361.552 0.691 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001107042464 845318166 /nfs/dbraw/zinc/31/81/66/845318166.db2.gz NMTLOAAADPFXDW-BFYDXBDKSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001107042573 845318405 /nfs/dbraw/zinc/31/84/05/845318405.db2.gz SMPMSVUNBHEROA-HUUCEWRRSA-N 2 0 352.479 0.160 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329522 845352746 /nfs/dbraw/zinc/35/27/46/845352746.db2.gz YCRLNMAERQWKIZ-GPMSIDNRSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2)[NH+](C)C ZINC001107451188 845375117 /nfs/dbraw/zinc/37/51/17/845375117.db2.gz QYZNYQDSNKLWSZ-GPMSIDNRSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2 ZINC001107530906 845391924 /nfs/dbraw/zinc/39/19/24/845391924.db2.gz RXKAEFQVROYKKM-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107546564 845395966 /nfs/dbraw/zinc/39/59/66/845395966.db2.gz HUGWUGOUXUVICA-ZHALLVOQSA-N 2 0 353.507 0.840 20 0 FCADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2)[NH+](C)C ZINC001107550994 845396268 /nfs/dbraw/zinc/39/62/68/845396268.db2.gz QYZNYQDSNKLWSZ-FRQCXROJSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC(OCC(=O)NC[C@]23CCC[C@H]2[N@H+](CCCO)CC3)CC1 ZINC001107593292 845404797 /nfs/dbraw/zinc/40/47/97/845404797.db2.gz JLVKRNTWODBKPP-IEBWSBKVSA-N 2 0 353.507 0.840 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC1CC1)CC2 ZINC001107598431 845406210 /nfs/dbraw/zinc/40/62/10/845406210.db2.gz AISJQPKKYUNFPY-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609523 845407595 /nfs/dbraw/zinc/40/75/95/845407595.db2.gz VXIDBDMPFDHIJX-FRQCXROJSA-N 2 0 350.507 0.825 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609063 845407709 /nfs/dbraw/zinc/40/77/09/845407709.db2.gz AQQHXMZFNONCPO-CRAIPNDOSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001109555619 845684380 /nfs/dbraw/zinc/68/43/80/845684380.db2.gz XTIKHNQQNQNDCT-OWSLCNJRSA-N 2 0 351.491 0.591 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001109555620 845684840 /nfs/dbraw/zinc/68/48/40/845684840.db2.gz XTIKHNQQNQNDCT-VSZNYVQBSA-N 2 0 351.491 0.591 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001276794776 861611670 /nfs/dbraw/zinc/61/16/70/861611670.db2.gz AQPXIFSCPIXKAY-SJKOYZFVSA-N 2 0 361.433 0.842 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794439 861611775 /nfs/dbraw/zinc/61/17/75/861611775.db2.gz JSSPQFWGCGDPLM-VQIMIIECSA-N 2 0 354.539 0.754 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001276795115 861611912 /nfs/dbraw/zinc/61/19/12/861611912.db2.gz FOLXSAQOBRIFCE-CRAIPNDOSA-N 2 0 350.463 0.848 20 0 FCADRP COC(CN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276795131 861612174 /nfs/dbraw/zinc/61/21/74/861612174.db2.gz WYYOZKMXUFYUTN-RBSFLKMASA-N 2 0 357.495 0.420 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001276801287 861616540 /nfs/dbraw/zinc/61/65/40/861616540.db2.gz YSRFELZEMRKSSO-CVEARBPZSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110981095 846007370 /nfs/dbraw/zinc/00/73/70/846007370.db2.gz IZVHKMNZHKYWND-SYQHCUMBSA-N 2 0 367.412 0.599 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2C[C@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820130 861631035 /nfs/dbraw/zinc/63/10/35/861631035.db2.gz YRWWFJDUFPTQFO-KBXCAEBGSA-N 2 0 355.479 0.318 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111740542 846187409 /nfs/dbraw/zinc/18/74/09/846187409.db2.gz BSVBDEWXJWCBMG-SCTDSRPQSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001111864580 846235200 /nfs/dbraw/zinc/23/52/00/846235200.db2.gz XFSHXLGLHLUCCW-KSSFIOAISA-N 2 0 350.463 0.058 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001111864311 846235432 /nfs/dbraw/zinc/23/54/32/846235432.db2.gz KCCJBBNQAVFXSQ-QOKNQOGYSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873040 846238744 /nfs/dbraw/zinc/23/87/44/846238744.db2.gz GQVFWTUZKVLGOE-BXWFABGCSA-N 2 0 355.523 0.942 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111907720 846254996 /nfs/dbraw/zinc/25/49/96/846254996.db2.gz IUOMIIPIZDMDIV-DOXZYTNZSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C1CC1)C2 ZINC001111925728 846262538 /nfs/dbraw/zinc/26/25/38/846262538.db2.gz HSVSIMSQEDDFHM-KXBFYZLASA-N 2 0 350.507 0.920 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938060 846268327 /nfs/dbraw/zinc/26/83/27/846268327.db2.gz JKULMAGUHCRILW-WMZOPIPTSA-N 2 0 357.495 0.198 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939608 846270555 /nfs/dbraw/zinc/27/05/55/846270555.db2.gz JAMUMMJYTPSMRH-BXWFABGCSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116212 846394820 /nfs/dbraw/zinc/39/48/20/846394820.db2.gz QPEBQNUODLYAAS-MGPQQGTHSA-N 2 0 367.412 0.457 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112182047 846441695 /nfs/dbraw/zinc/44/16/95/846441695.db2.gz LLECUTOVRXHCOJ-YNEHKIRRSA-N 2 0 366.428 0.784 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112182179 846442120 /nfs/dbraw/zinc/44/21/20/846442120.db2.gz TTWNWVRVFBFSEK-YNEHKIRRSA-N 2 0 355.401 0.314 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196458 846455412 /nfs/dbraw/zinc/45/54/12/846455412.db2.gz LSHZSKUPUGAFBO-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112211920 846468236 /nfs/dbraw/zinc/46/82/36/846468236.db2.gz CWURMQWFGNRZFN-IJLUTSLNSA-N 2 0 352.401 0.569 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)CCCC1 ZINC001112496314 846509891 /nfs/dbraw/zinc/50/98/91/846509891.db2.gz QHGPESUKUZVGFA-YJBOKZPZSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001112552928 846522354 /nfs/dbraw/zinc/52/23/54/846522354.db2.gz WFZKWBQXLKPEIU-GJYPPUQNSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001116169889 846621884 /nfs/dbraw/zinc/62/18/84/846621884.db2.gz WVMGWQGTXCGNHE-KRWDZBQOSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276960007 861707580 /nfs/dbraw/zinc/70/75/80/861707580.db2.gz NDHJBCLKEQFJAR-IAGOWNOFSA-N 2 0 352.523 0.223 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001117359718 846979823 /nfs/dbraw/zinc/97/98/23/846979823.db2.gz KZYKCVAGKNIPMB-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC001117955317 847229182 /nfs/dbraw/zinc/22/91/82/847229182.db2.gz NBQRZYFDSSLXOR-LBPRGKRZSA-N 2 0 354.426 0.819 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001117985612 847242105 /nfs/dbraw/zinc/24/21/05/847242105.db2.gz RHOLWNRPUHSABX-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001118038975 847258424 /nfs/dbraw/zinc/25/84/24/847258424.db2.gz QKEOLIZQTOMYIB-HNNXBMFYSA-N 2 0 370.563 0.969 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001119343064 847817195 /nfs/dbraw/zinc/81/71/95/847817195.db2.gz BLNCHUNYWHWCDQ-MCIONIFRSA-N 2 0 350.488 0.949 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119412628 847836514 /nfs/dbraw/zinc/83/65/14/847836514.db2.gz XQUDKZWNBSNNGC-GJZGRUSLSA-N 2 0 366.531 0.427 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119948407 848043136 /nfs/dbraw/zinc/04/31/36/848043136.db2.gz ILLIAMZVYSEFHD-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC001120474880 848214469 /nfs/dbraw/zinc/21/44/69/848214469.db2.gz NINFMTXOGCNVLO-YNEHKIRRSA-N 2 0 352.401 0.874 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001120575017 848248138 /nfs/dbraw/zinc/24/81/38/848248138.db2.gz VZHPSOFTRVCIHZ-GOSISDBHSA-N 2 0 358.527 0.879 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001120602491 848250922 /nfs/dbraw/zinc/25/09/22/848250922.db2.gz HTDZMNFPIZPMBG-SJORKVTESA-N 2 0 353.438 0.628 20 0 FCADRP CC1([NH+]2CCCC2)CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001120624788 848257066 /nfs/dbraw/zinc/25/70/66/848257066.db2.gz CQFQLUOYPWWLTA-UHFFFAOYSA-N 2 0 351.495 0.515 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)O1)[NH+](C)C ZINC001120789192 848283620 /nfs/dbraw/zinc/28/36/20/848283620.db2.gz YMNCNCSOIIXLLH-QKPAOTATSA-N 2 0 356.511 0.447 20 0 FCADRP Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C(F)F)n1 ZINC001120954259 848301274 /nfs/dbraw/zinc/30/12/74/848301274.db2.gz HIFWUJUPSNCAMJ-UHFFFAOYSA-N 2 0 360.409 0.248 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001121828574 848400040 /nfs/dbraw/zinc/40/00/40/848400040.db2.gz BGKVSUVEGCDTHZ-OAHLLOKOSA-N 2 0 353.511 0.605 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)C1 ZINC001121910017 848413772 /nfs/dbraw/zinc/41/37/72/848413772.db2.gz GHYUGWYGLDVJFZ-NSHDSACASA-N 2 0 357.252 0.394 20 0 FCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993639 848431230 /nfs/dbraw/zinc/43/12/30/848431230.db2.gz WYTPNWSFCSCYGI-ARLBYUKCSA-N 2 0 351.495 0.497 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362143 848498467 /nfs/dbraw/zinc/49/84/67/848498467.db2.gz OHJKHEDUSMVQCH-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+]1CC[C@H](CNC(=O)/C(C)=C\C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC001123506153 848599283 /nfs/dbraw/zinc/59/92/83/848599283.db2.gz VSFFZTKGAKNNQP-FAQRCVTKSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCN1C ZINC001123794849 848639370 /nfs/dbraw/zinc/63/93/70/848639370.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 0 351.539 0.994 20 0 FCADRP Cc1nocc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571373 848726551 /nfs/dbraw/zinc/72/65/51/848726551.db2.gz QNRJQGVHSKETFF-SJORKVTESA-N 2 0 350.463 0.936 20 0 FCADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1cc(C)on1 ZINC001127643647 848730129 /nfs/dbraw/zinc/73/01/29/848730129.db2.gz FFPZQGKMXNXKNJ-MCIONIFRSA-N 2 0 351.451 0.746 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2F)CC[N@@H+]1C ZINC001127652868 848731391 /nfs/dbraw/zinc/73/13/91/848731391.db2.gz GBLRDGARQXEVSP-RBSFLKMASA-N 2 0 353.438 0.611 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001127706253 848732941 /nfs/dbraw/zinc/73/29/41/848732941.db2.gz LPIBWJYNIQWMGY-UONOGXRCSA-N 2 0 350.467 0.103 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001127701250 848733143 /nfs/dbraw/zinc/73/31/43/848733143.db2.gz LPZXWHSNYUGRQK-UONOGXRCSA-N 2 0 351.499 0.407 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001127706534 848733270 /nfs/dbraw/zinc/73/32/70/848733270.db2.gz MJBNANWYRREBKK-HZSPNIEDSA-N 2 0 355.483 0.045 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396866 848840205 /nfs/dbraw/zinc/84/02/05/848840205.db2.gz OOUJQLKQXJMWEK-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001129683960 848881888 /nfs/dbraw/zinc/88/18/88/848881888.db2.gz CZNKZWGLYIFRGI-OAGGEKHMSA-N 2 0 352.458 0.854 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1)OC ZINC001129984967 848926646 /nfs/dbraw/zinc/92/66/46/848926646.db2.gz LFFOVYWVHRUVFH-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994575 848927640 /nfs/dbraw/zinc/92/76/40/848927640.db2.gz VSWATNATKLRJRQ-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991960 848927986 /nfs/dbraw/zinc/92/79/86/848927986.db2.gz FCDBRQPROYILQS-IMJJTQAJSA-N 2 0 352.458 0.710 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005764 848929848 /nfs/dbraw/zinc/92/98/48/848929848.db2.gz GPRDQZVAHNURMV-LMQVBRGUSA-N 2 0 352.870 0.714 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086286 848942507 /nfs/dbraw/zinc/94/25/07/848942507.db2.gz UGOPKTCZWMMGGS-LOHLBIGBSA-N 2 0 352.870 0.714 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123370 848947742 /nfs/dbraw/zinc/94/77/42/848947742.db2.gz OVYVSAMBVMIRSX-XQQFMLRXSA-N 2 0 360.384 0.524 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130244599 848985824 /nfs/dbraw/zinc/98/58/24/848985824.db2.gz LFHHUSRUVOYAEK-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130706738 849027899 /nfs/dbraw/zinc/02/78/99/849027899.db2.gz WQSUAEZTZIGUTO-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]C/C=C\Cl)c1 ZINC001130712646 849028814 /nfs/dbraw/zinc/02/88/14/849028814.db2.gz FPACUACCTMMGES-YMEQAZQUSA-N 2 0 369.897 0.635 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131020460 849071312 /nfs/dbraw/zinc/07/13/12/849071312.db2.gz VPUQAMSAEIDBJX-HUUCEWRRSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1 ZINC001131115539 849080178 /nfs/dbraw/zinc/08/01/78/849080178.db2.gz RHNOKRILUPXZRI-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001131564108 849123075 /nfs/dbraw/zinc/12/30/75/849123075.db2.gz BMUZXRBMDQIFCD-UXLLHSPISA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131562406 849123513 /nfs/dbraw/zinc/12/35/13/849123513.db2.gz RNTUGFWIFVVUMD-WDYCEAGBSA-N 2 0 353.507 0.696 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131593117 849128471 /nfs/dbraw/zinc/12/84/71/849128471.db2.gz MPGBKYHQJDYNIC-WDYCEAGBSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2cccc(NS(C)(=O)=O)c2)CCC1=O ZINC001141179935 849385378 /nfs/dbraw/zinc/38/53/78/849385378.db2.gz MBLNTNGNZYZUNE-UHFFFAOYSA-N 2 0 368.503 0.654 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001143077351 849475172 /nfs/dbraw/zinc/47/51/72/849475172.db2.gz SVECOOVODGHLCP-UHFFFAOYSA-N 2 0 369.491 0.337 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001143354027 849483993 /nfs/dbraw/zinc/48/39/93/849483993.db2.gz UUPAPFALBHEHFG-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583244 849586960 /nfs/dbraw/zinc/58/69/60/849586960.db2.gz PJXFGYZEYGSVHD-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc2)CC1 ZINC001148999154 849625745 /nfs/dbraw/zinc/62/57/45/849625745.db2.gz XWZRSJRCIDZELR-UHFFFAOYSA-N 2 0 354.476 0.189 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)CC1 ZINC001157448888 849973997 /nfs/dbraw/zinc/97/39/97/849973997.db2.gz NUKQBIFNPSWOBR-KGLIPLIRSA-N 2 0 355.479 0.805 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC001157716181 849988159 /nfs/dbraw/zinc/98/81/59/849988159.db2.gz MJGWUPNGUQMLLT-KOLCDFICSA-N 2 0 362.293 0.827 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC1 ZINC001157732390 849989858 /nfs/dbraw/zinc/98/98/58/849989858.db2.gz ZOVQZJARFYCFHV-BBRMVZONSA-N 2 0 350.442 0.209 20 0 FCADRP C[NH2+]CCN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C(C)(C)C ZINC001157825298 849996740 /nfs/dbraw/zinc/99/67/40/849996740.db2.gz CELMZSHXVPXVLB-UHFFFAOYSA-N 2 0 355.508 0.393 20 0 FCADRP C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1F ZINC001157926309 850004789 /nfs/dbraw/zinc/00/47/89/850004789.db2.gz ORZGCOJHUGHEOD-AYMQEEERSA-N 2 0 360.449 0.732 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168768 850020762 /nfs/dbraw/zinc/02/07/62/850020762.db2.gz ZMMVOFHXYDFTKM-ADEWGFFLSA-N 2 0 374.304 0.827 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241001 850027568 /nfs/dbraw/zinc/02/75/68/850027568.db2.gz POSPEOARGVVHBB-MNOVXSKESA-N 2 0 365.400 0.438 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[NH2+]C(C)C)C2 ZINC001158380583 850042628 /nfs/dbraw/zinc/04/26/28/850042628.db2.gz FYRVXXNAGKDWFC-KGLIPLIRSA-N 2 0 351.369 0.528 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccc(S(C)(=O)=O)o2)CC[N@@H+]1C ZINC001158380735 850042678 /nfs/dbraw/zinc/04/26/78/850042678.db2.gz VXMFLSTZYOFYQU-TZMCWYRMSA-N 2 0 357.476 0.619 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[NH2+]C(C)C)C2 ZINC001158380582 850042770 /nfs/dbraw/zinc/04/27/70/850042770.db2.gz FYRVXXNAGKDWFC-KBPBESRZSA-N 2 0 351.369 0.528 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C(C)(C)C[NH3+])C2 ZINC001158382763 850043446 /nfs/dbraw/zinc/04/34/46/850043446.db2.gz KZUSGVVVHVCRSY-KBPBESRZSA-N 2 0 351.369 0.515 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158389706 850045902 /nfs/dbraw/zinc/04/59/02/850045902.db2.gz JANVFMUICOVYAB-ARFHVFGLSA-N 2 0 356.511 0.354 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]([NH3+])COC)C2 ZINC001158467534 850054989 /nfs/dbraw/zinc/05/49/89/850054989.db2.gz IQGYNWIWVLCWKA-SUNYJGFJSA-N 2 0 353.463 0.132 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001158495677 850056578 /nfs/dbraw/zinc/05/65/78/850056578.db2.gz CQNZRKLMBJHSAB-CKIKVBCHSA-N 2 0 363.380 0.669 20 0 FCADRP C[NH+]1CCC(N(c2ncccc2S(N)(=O)=O)C2CC[NH2+]CC2)CC1 ZINC001158575335 850060310 /nfs/dbraw/zinc/06/03/10/850060310.db2.gz MDOYOSQRSSYAJP-UHFFFAOYSA-N 2 0 353.492 0.382 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C1CCC2(CC1)OCCO2 ZINC001158576791 850060461 /nfs/dbraw/zinc/06/04/61/850060461.db2.gz DPKIHNIRVIERNA-ILXRZTDVSA-N 2 0 355.454 0.782 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C[C@@H]2CF)CC1 ZINC001158579414 850061567 /nfs/dbraw/zinc/06/15/67/850061567.db2.gz SKXKXWBDENSBOV-NWDGAFQWSA-N 2 0 353.467 0.702 20 0 FCADRP CNS(=O)(=O)c1cccnc1N(C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001158581396 850061697 /nfs/dbraw/zinc/06/16/97/850061697.db2.gz QYCBZHSRACQVFE-UHFFFAOYSA-N 2 0 367.519 0.642 20 0 FCADRP C[NH+]1CCC(N(c2cccc(S(N)(=O)=O)n2)C2CC[NH2+]CC2)CC1 ZINC001158591917 850061847 /nfs/dbraw/zinc/06/18/47/850061847.db2.gz ZAYDWHVRZOYSEQ-UHFFFAOYSA-N 2 0 353.492 0.382 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001158637480 850063163 /nfs/dbraw/zinc/06/31/63/850063163.db2.gz PDWDIFHOZYSNCU-MLGOLLRUSA-N 2 0 351.838 0.507 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001158673375 850067883 /nfs/dbraw/zinc/06/78/83/850067883.db2.gz JMWXEJNYCNADAA-INIZCTEOSA-N 2 0 353.492 0.134 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC001158855583 850080609 /nfs/dbraw/zinc/08/06/09/850080609.db2.gz IEKQBUPRKCHWIB-HNNXBMFYSA-N 3 0 350.511 0.852 20 0 FCADRP CC[C@@H]1N(C(=O)[C@H]([NH3+])CCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159278821 850107025 /nfs/dbraw/zinc/10/70/25/850107025.db2.gz DBYPROCQNULOGM-VKJFTORMSA-N 2 0 354.495 0.461 20 0 FCADRP Nc1ncn(/C=C/C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159405675 850112401 /nfs/dbraw/zinc/11/24/01/850112401.db2.gz PVVCPXZYBGXNIO-JKMMVKKYSA-N 2 0 366.897 0.460 20 0 FCADRP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793983 862097169 /nfs/dbraw/zinc/09/71/69/862097169.db2.gz BXWNZBLBXWCAFX-CRAIPNDOSA-N 2 0 355.479 0.175 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]2C ZINC001159633375 850125412 /nfs/dbraw/zinc/12/54/12/850125412.db2.gz KPKNVBQVLCWZMT-HIFRSBDPSA-N 3 0 368.551 0.646 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667482 850128370 /nfs/dbraw/zinc/12/83/70/850128370.db2.gz UNWWJXBVSNKQNM-KKUMJFAQSA-N 2 0 354.401 0.866 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159723429 850131229 /nfs/dbraw/zinc/13/12/29/850131229.db2.gz PKPHNDSRKYXJDI-UHFFFAOYSA-N 2 0 365.503 0.536 20 0 FCADRP CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159844877 850141302 /nfs/dbraw/zinc/14/13/02/850141302.db2.gz LGOUAKVOOVXOOE-HUUCEWRRSA-N 2 0 354.495 0.223 20 0 FCADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490504 850176682 /nfs/dbraw/zinc/17/66/82/850176682.db2.gz ACXBYMQKGMQDCF-AEFFLSMTSA-N 2 0 350.507 0.384 20 0 FCADRP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C1CCOCC1 ZINC001160495073 850176727 /nfs/dbraw/zinc/17/67/27/850176727.db2.gz WZSIUXMQIJCJKF-HOTGVXAUSA-N 2 0 354.495 0.461 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160610503 850185282 /nfs/dbraw/zinc/18/52/82/850185282.db2.gz DVBWLAPZMHWERQ-CVEARBPZSA-N 2 0 353.488 0.778 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]3CC[NH2+]C[C@@H]3F)C[C@H]1C2 ZINC001160795262 850198277 /nfs/dbraw/zinc/19/82/77/850198277.db2.gz VXJSKRJLUPUBLR-LNORHHCFSA-N 2 0 353.438 0.181 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001448 850220631 /nfs/dbraw/zinc/22/06/31/850220631.db2.gz YOJASVMUNHRIJH-DOTOQJQBSA-N 3 0 350.507 0.166 20 0 FCADRP CSc1nc(Cl)cc(N2CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001161054005 850225216 /nfs/dbraw/zinc/22/52/16/850225216.db2.gz HDMBCIZDKSIGEM-LLVKDONJSA-N 2 0 372.926 0.957 20 0 FCADRP [NH3+]CCN(CCNc1ccc(OCC2CC[NH2+]CC2)cn1)N(O)N=O ZINC001161095438 850230578 /nfs/dbraw/zinc/23/05/78/850230578.db2.gz WXDIKPIBZJDHPY-UHFFFAOYSA-N 2 0 353.427 0.420 20 0 FCADRP N[C@@]1(C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161152736 850234194 /nfs/dbraw/zinc/23/41/94/850234194.db2.gz SSAONGYDJCFTQG-AWEZNQCLSA-N 2 0 358.368 0.271 20 0 FCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161150605 850234403 /nfs/dbraw/zinc/23/44/03/850234403.db2.gz KVZZOIKCHPXGJH-YUMQZZPRSA-N 2 0 352.386 0.219 20 0 FCADRP O=C([C@@H]1CCCC[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196429 850238582 /nfs/dbraw/zinc/23/85/82/850238582.db2.gz HFMDWLPKCBGTJA-SFHVURJKSA-N 2 0 352.523 0.679 20 0 FCADRP CC(C)[C@H](C[NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196256 850239357 /nfs/dbraw/zinc/23/93/57/850239357.db2.gz BDRSYTGGCMPAPY-SFHVURJKSA-N 2 0 354.539 0.768 20 0 FCADRP O=C(N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@@]12C[C@@H]1CC[NH2+]2 ZINC001161198359 850239428 /nfs/dbraw/zinc/23/94/28/850239428.db2.gz QEAXYXTVYHGNSV-PKOBYXMFSA-N 2 0 350.507 0.289 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245714 850242996 /nfs/dbraw/zinc/24/29/96/850242996.db2.gz FNKNASYYJLNJHQ-GDZNZVCISA-N 2 0 358.458 0.019 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239346 850243643 /nfs/dbraw/zinc/24/36/43/850243643.db2.gz ZMVMDLHETWABDA-CABCVRRESA-N 2 0 350.850 0.666 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269662 850245628 /nfs/dbraw/zinc/24/56/28/850245628.db2.gz ITRGULMMCIYVOW-HNNXBMFYSA-N 2 0 360.524 0.120 20 0 FCADRP C[NH+](C)CCN(C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449575 850260056 /nfs/dbraw/zinc/26/00/56/850260056.db2.gz OLVSSKBFHAYYEO-ZWKOTPCHSA-N 3 0 351.539 0.203 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1nc3c(s1)C[NH2+]CC3)CC2 ZINC001161483132 850263659 /nfs/dbraw/zinc/26/36/59/850263659.db2.gz KSKHSGFDCIGPHU-MLGOLLRUSA-N 2 0 350.444 0.156 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601870 850274573 /nfs/dbraw/zinc/27/45/73/850274573.db2.gz MRFYJJIWBKKAPF-ARFHVFGLSA-N 2 0 354.470 0.132 20 0 FCADRP C[NH+](C)CCCCNc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001161728139 850279302 /nfs/dbraw/zinc/27/93/02/850279302.db2.gz CPRUGWABMHIHGA-UHFFFAOYSA-N 2 0 355.508 0.917 20 0 FCADRP COC(=O)CC[C@H](Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1)C(N)=O ZINC001161762182 850281441 /nfs/dbraw/zinc/28/14/41/850281441.db2.gz VDVAUBURQDRJEJ-AWEZNQCLSA-N 2 0 350.419 0.774 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001162294725 850306950 /nfs/dbraw/zinc/30/69/50/850306950.db2.gz VANKDIVRTLQUCF-UHFFFAOYSA-N 2 0 355.508 0.997 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(COCCOC)C2=O)C1 ZINC001277833054 862121133 /nfs/dbraw/zinc/12/11/33/862121133.db2.gz ASWNOJNWXOOTAR-FUHWJXTLSA-N 2 0 357.495 0.234 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N1CC[C@@H]([NH3+])C1 ZINC001164279618 850401550 /nfs/dbraw/zinc/40/15/50/850401550.db2.gz SEOWJYSFSIZRRF-DZGCQCFKSA-N 2 0 350.463 0.725 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001164582072 850417017 /nfs/dbraw/zinc/41/70/17/850417017.db2.gz FWJHFUONXADCLB-GDBMZVCRSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)C[C@H]1CCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001165071591 850422791 /nfs/dbraw/zinc/42/27/91/850422791.db2.gz JMCRKVFUXKGPPR-GFCCVEGCSA-N 2 0 353.492 0.099 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(C[NH3+])ncn1)C2 ZINC001165372614 850438230 /nfs/dbraw/zinc/43/82/30/850438230.db2.gz IQZCBIPMHMAJQZ-KGLIPLIRSA-N 2 0 359.352 0.457 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165729085 850453666 /nfs/dbraw/zinc/45/36/66/850453666.db2.gz YMAXFGHJZPHAQY-HUUCEWRRSA-N 2 0 354.495 0.106 20 0 FCADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC001167880321 850560676 /nfs/dbraw/zinc/56/06/76/850560676.db2.gz HVRIJFBWSNNHBA-UHFFFAOYSA-N 2 0 354.480 0.978 20 0 FCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167911042 850562489 /nfs/dbraw/zinc/56/24/89/850562489.db2.gz ZYGOEEUZZFRMHH-BCDXTJNWSA-N 2 0 360.495 0.416 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])C1 ZINC001170523528 850657643 /nfs/dbraw/zinc/65/76/43/850657643.db2.gz GDTWJVUDJBQJQX-ZIAGYGMSSA-N 2 0 354.447 0.924 20 0 FCADRP CN(C)S(=O)(=O)c1ccc2nc(Cl)c(N[C@H]([NH3+])CCC[NH3+])nc2c1 ZINC001170896545 850669458 /nfs/dbraw/zinc/66/94/58/850669458.db2.gz GSKCEWLPOLHZQW-LBPRGKRZSA-N 2 0 372.882 0.969 20 0 FCADRP NC(=O)[C@H]1CCCN1C(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001170897865 850669932 /nfs/dbraw/zinc/66/99/32/850669932.db2.gz PKQMDWXAFPEDJH-VXGBXAGGSA-N 2 0 354.842 0.261 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015544 850701677 /nfs/dbraw/zinc/70/16/77/850701677.db2.gz SDYIYJVYIQDGHI-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)OCC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001172440167 850711396 /nfs/dbraw/zinc/71/13/96/850711396.db2.gz HFNUYBCOJWZAEX-KRWDZBQOSA-N 2 0 350.500 0.805 20 0 FCADRP CC[NH+](CC)C1CCC([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001173108579 850718327 /nfs/dbraw/zinc/71/83/27/850718327.db2.gz NWZSENICCBUNAP-JGIMXBBZSA-N 2 0 360.495 0.073 20 0 FCADRP [NH3+]C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173385487 850722474 /nfs/dbraw/zinc/72/24/74/850722474.db2.gz STAKXMUULYUETC-AWEZNQCLSA-N 2 0 356.264 0.963 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[C@@H]1C(=O)OC ZINC001173572971 850729147 /nfs/dbraw/zinc/72/91/47/850729147.db2.gz ORIILGWKNURFNV-MKZZRHPPSA-N 2 0 354.447 0.428 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176692209 850798171 /nfs/dbraw/zinc/79/81/71/850798171.db2.gz WDZTYJFFMODMMX-JTQLQIEISA-N 2 0 350.423 0.057 20 0 FCADRP CCOC(=O)C1(NC(=O)CN2CC[NH+](C(C)C)CC2)CC[NH+](C)CC1 ZINC001180350948 851027924 /nfs/dbraw/zinc/02/79/24/851027924.db2.gz KAJCRABDRKSLDK-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001180387998 851033644 /nfs/dbraw/zinc/03/36/44/851033644.db2.gz KTKLCLROKNVARH-UHFFFAOYSA-N 2 0 351.451 0.193 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC(=N)SCC[NH3+] ZINC001180408962 851034079 /nfs/dbraw/zinc/03/40/79/851034079.db2.gz WXGRCSXKWRJVFL-UONOGXRCSA-N 2 0 364.471 0.650 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC001182012268 851145993 /nfs/dbraw/zinc/14/59/93/851145993.db2.gz IKINGDSCVMQYJJ-KZNAEPCWSA-N 2 0 351.491 0.524 20 0 FCADRP CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182541636 851179020 /nfs/dbraw/zinc/17/90/20/851179020.db2.gz GSGKNEJRKHVACX-LBPRGKRZSA-N 2 0 357.455 0.473 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001182693623 851192806 /nfs/dbraw/zinc/19/28/06/851192806.db2.gz ZXTJPIVPOMWEJX-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C12CCC[NH+]1CCC2 ZINC001183555942 851252803 /nfs/dbraw/zinc/25/28/03/851252803.db2.gz GNNUNVDKVKTHJP-UHFFFAOYSA-N 2 0 368.459 0.237 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001185264705 851348064 /nfs/dbraw/zinc/34/80/64/851348064.db2.gz YOTSBSVVTYXKSX-FVRSWCFKSA-N 2 0 354.495 0.330 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186383397 851430550 /nfs/dbraw/zinc/43/05/50/851430550.db2.gz XPKYEDYXWOHSLK-YESZJQIVSA-N 2 0 353.507 0.554 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001188962486 851737953 /nfs/dbraw/zinc/73/79/53/851737953.db2.gz ANFZRXFHIZAYEK-YESZJQIVSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485395 851795211 /nfs/dbraw/zinc/79/52/11/851795211.db2.gz VPEHDDXSJFQCBR-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189668752 851813278 /nfs/dbraw/zinc/81/32/78/851813278.db2.gz NSMZRPCSRSQUTK-RCCFBDPRSA-N 2 0 355.523 0.894 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669319 851814260 /nfs/dbraw/zinc/81/42/60/851814260.db2.gz WPGYUADMDLXRJK-YESZJQIVSA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCOCC3CCC3)C[C@H]21 ZINC001189810977 851826739 /nfs/dbraw/zinc/82/67/39/851826739.db2.gz PJADWKHBQFRWIU-ZWKOTPCHSA-N 2 0 353.507 0.914 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871059 851832692 /nfs/dbraw/zinc/83/26/92/851832692.db2.gz JXNFAQSMGVDHBF-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC001193754829 852481430 /nfs/dbraw/zinc/48/14/30/852481430.db2.gz BYALAUKODFROBN-FMKPAKJESA-N 2 0 352.504 0.761 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193766215 852485872 /nfs/dbraw/zinc/48/58/72/852485872.db2.gz PPCOLRMOTGFOBM-MCIONIFRSA-N 2 0 367.412 0.457 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)C1CC1 ZINC001193791023 852489441 /nfs/dbraw/zinc/48/94/41/852489441.db2.gz BATWVZRXVBTWBZ-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O)C(C)C ZINC001197024662 853050648 /nfs/dbraw/zinc/05/06/48/853050648.db2.gz GXYCLPHCANMQHA-IIAWOOMASA-N 2 0 365.465 0.796 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC(F)(F)F)C[C@H]2O)CC1 ZINC001197319441 853097294 /nfs/dbraw/zinc/09/72/94/853097294.db2.gz HFLPMNNZGYWXQO-CHWSQXEVSA-N 2 0 353.385 0.211 20 0 FCADRP COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948965 853189740 /nfs/dbraw/zinc/18/97/40/853189740.db2.gz OPLLDPZLDWISOK-HZPDHXFCSA-N 2 0 350.463 0.483 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001197948829 853190162 /nfs/dbraw/zinc/19/01/62/853190162.db2.gz MKPIOGUZIKTTFK-FGTMMUONSA-N 2 0 355.523 0.821 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001199057894 853361251 /nfs/dbraw/zinc/36/12/51/853361251.db2.gz XFZOGVFVAOLYGE-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127521 853375325 /nfs/dbraw/zinc/37/53/25/853375325.db2.gz GBLPIMHBVRQKKM-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCC3CC3)C2)CC[N@@H+]1C ZINC001200546224 853501886 /nfs/dbraw/zinc/50/18/86/853501886.db2.gz AGTGXXWTTYOIBI-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP COC(=O)CCC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001202218617 853563143 /nfs/dbraw/zinc/56/31/43/853563143.db2.gz MHHJYBXPTUCPCK-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C[C@@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843436 853573873 /nfs/dbraw/zinc/57/38/73/853573873.db2.gz GYVFABATZUMBEY-YQVWRLOYSA-N 2 0 350.507 0.526 20 0 FCADRP CN(C)C(=O)CN1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001203022489 853578213 /nfs/dbraw/zinc/57/82/13/853578213.db2.gz ZNQPKPLFNWNXEH-UHFFFAOYSA-N 2 0 351.539 0.251 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513508 853619349 /nfs/dbraw/zinc/61/93/49/853619349.db2.gz LOVKDMUJJMMLGH-IXDOHACOSA-N 2 0 353.507 0.648 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207396705 853808800 /nfs/dbraw/zinc/80/88/00/853808800.db2.gz QZTNVVSLOMLPIC-IBGZPJMESA-N 2 0 352.523 0.489 20 0 FCADRP O=C([C@H]1C[C@]2(CO1)CCC[N@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437409 853812991 /nfs/dbraw/zinc/81/29/91/853812991.db2.gz WJXSZGQBASXLGQ-IEBWSBKVSA-N 2 0 351.491 0.716 20 0 FCADRP O=C(COC[C@]12COC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2)N1CCCC1 ZINC001207437156 853813558 /nfs/dbraw/zinc/81/35/58/853813558.db2.gz PNHIZIJUMHSQMJ-MJGOQNOKSA-N 2 0 351.491 0.573 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207553672 853823900 /nfs/dbraw/zinc/82/39/00/853823900.db2.gz KJBSIECGQFOAMB-QGPMSJSTSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001207758013 853855100 /nfs/dbraw/zinc/85/51/00/853855100.db2.gz ROSVDNHGXDMDEV-OWCLPIDISA-N 2 0 359.511 0.177 20 0 FCADRP C[NH+]1CCC(C2CC[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC2)CC1 ZINC001209274661 854011199 /nfs/dbraw/zinc/01/11/99/854011199.db2.gz NHRPCBQPEVNPCQ-FGTMMUONSA-N 2 0 356.507 0.914 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179741 854087994 /nfs/dbraw/zinc/08/79/94/854087994.db2.gz QXFICZHAQHGNHX-FHLIZLRMSA-N 2 0 353.507 0.552 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521449 854115071 /nfs/dbraw/zinc/11/50/71/854115071.db2.gz CYBPDMGJMLOQPL-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521450 854115293 /nfs/dbraw/zinc/11/52/93/854115293.db2.gz CYBPDMGJMLOQPL-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528807 854117360 /nfs/dbraw/zinc/11/73/60/854117360.db2.gz IHNGBXPBFGXNII-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211024877 854147437 /nfs/dbraw/zinc/14/74/37/854147437.db2.gz AVQTZGQESRPCNA-RBSFLKMASA-N 2 0 353.511 0.472 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046219 854149967 /nfs/dbraw/zinc/14/99/67/854149967.db2.gz KEBGQUBTUOGPCO-IXDOHACOSA-N 2 0 357.495 0.054 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343938 854179304 /nfs/dbraw/zinc/17/93/04/854179304.db2.gz UIVNWDMVXDQWBR-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410297 854467735 /nfs/dbraw/zinc/46/77/35/854467735.db2.gz PWMPTMVLSRCAOB-KZNAEPCWSA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC)[NH+](C)C ZINC001213460768 854626997 /nfs/dbraw/zinc/62/69/97/854626997.db2.gz ZVZPYOOMGGLYRB-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1OC ZINC001213588416 854677735 /nfs/dbraw/zinc/67/77/35/854677735.db2.gz GCZAARWUDGBQOO-GVDBMIGSSA-N 2 0 359.511 0.321 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638659 854694656 /nfs/dbraw/zinc/69/46/56/854694656.db2.gz YNABMMRVVNOESG-DJIMGWMZSA-N 2 0 357.495 0.074 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213678281 854712462 /nfs/dbraw/zinc/71/24/62/854712462.db2.gz MZRFQWLAICFSRB-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719323 854733781 /nfs/dbraw/zinc/73/37/81/854733781.db2.gz XFEXHQJBBUCALG-IAGOWNOFSA-N 2 0 359.511 0.443 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001214343747 854928457 /nfs/dbraw/zinc/92/84/57/854928457.db2.gz FDXCEZVKQVHAEK-BNOWGMLFSA-N 2 0 365.503 0.921 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214611169 854977767 /nfs/dbraw/zinc/97/77/67/854977767.db2.gz RTPCYPXBBFEIRG-BZUAXINKSA-N 2 0 359.536 0.730 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214645897 854985909 /nfs/dbraw/zinc/98/59/09/854985909.db2.gz IPMIMMFVNPEILE-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214648864 854987290 /nfs/dbraw/zinc/98/72/90/854987290.db2.gz ZOBZCAUEQXEWFI-FVQBIDKESA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214664120 854988366 /nfs/dbraw/zinc/98/83/66/854988366.db2.gz LYRDJSJRTRWIJG-KLHDSHLOSA-N 2 0 371.547 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214663832 854988462 /nfs/dbraw/zinc/98/84/62/854988462.db2.gz FKNLQFHKDDPYFX-KLHDSHLOSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214747310 855001649 /nfs/dbraw/zinc/00/16/49/855001649.db2.gz MYOGEKPMXIYEFH-TZMCWYRMSA-N 2 0 352.504 0.948 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001214754826 855002494 /nfs/dbraw/zinc/00/24/94/855002494.db2.gz IHWMAWDDOCGOPC-QLFBSQMISA-N 2 0 357.474 0.128 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861295 855024414 /nfs/dbraw/zinc/02/44/14/855024414.db2.gz PIYUWIWNLDMNPK-RHSMWYFYSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214856198 855024467 /nfs/dbraw/zinc/02/44/67/855024467.db2.gz XXUIXCOGBUNIBX-BZUAXINKSA-N 2 0 359.536 0.730 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214860992 855024637 /nfs/dbraw/zinc/02/46/37/855024637.db2.gz DOLGPERHLZSDCU-DGCLKSJQSA-N 2 0 366.491 0.397 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214861577 855025432 /nfs/dbraw/zinc/02/54/32/855025432.db2.gz YBFPNUVVMYNSGP-DGCLKSJQSA-N 2 0 364.412 0.586 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214862949 855025832 /nfs/dbraw/zinc/02/58/32/855025832.db2.gz ATFMYMZZSFSZHZ-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214889075 855028878 /nfs/dbraw/zinc/02/88/78/855028878.db2.gz GYWSYJJJAWIAKO-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214973287 855042650 /nfs/dbraw/zinc/04/26/50/855042650.db2.gz QHLMDPRZCBQHJN-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056901 855059170 /nfs/dbraw/zinc/05/91/70/855059170.db2.gz MXYGOHAHOFVCGC-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184590 855078865 /nfs/dbraw/zinc/07/88/65/855078865.db2.gz KJNVXTYWZFYULB-QCZOYZIOSA-N 2 0 351.491 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215224126 855083138 /nfs/dbraw/zinc/08/31/38/855083138.db2.gz JTFMNRRNGNBQRO-OIISXLGYSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215421810 855113142 /nfs/dbraw/zinc/11/31/42/855113142.db2.gz NHNJGPRFGHNCJX-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215422111 855113257 /nfs/dbraw/zinc/11/32/57/855113257.db2.gz XUALUJBPZCBOPF-VXGBXAGGSA-N 2 0 354.480 0.255 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453519 855117134 /nfs/dbraw/zinc/11/71/34/855117134.db2.gz GOJQEZZWPONCNH-BFYDXBDKSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458669 855117210 /nfs/dbraw/zinc/11/72/10/855117210.db2.gz DTEGOQVEXJCAJJ-HZPDHXFCSA-N 2 0 356.511 0.306 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453520 855117259 /nfs/dbraw/zinc/11/72/59/855117259.db2.gz GOJQEZZWPONCNH-HLLBOEOZSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccco1 ZINC001215463431 855118323 /nfs/dbraw/zinc/11/83/23/855118323.db2.gz WTIUBIXGFXJNLP-QLFBSQMISA-N 2 0 350.463 0.845 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](CC)CC ZINC001215516674 855123688 /nfs/dbraw/zinc/12/36/88/855123688.db2.gz QDIPXXBRLQJAOS-RBSFLKMASA-N 2 0 362.540 0.093 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215558403 855128255 /nfs/dbraw/zinc/12/82/55/855128255.db2.gz RYAKTYXUKWSKLQ-IJEWVQPXSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+]1CCCCCC1 ZINC001215774380 855144980 /nfs/dbraw/zinc/14/49/80/855144980.db2.gz NMADVJDBBUROTG-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861913 855152260 /nfs/dbraw/zinc/15/22/60/855152260.db2.gz QBRJSQUPNRENMW-HLLBOEOZSA-N 2 0 351.495 0.656 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)C(C)C ZINC001215977304 855162137 /nfs/dbraw/zinc/16/21/37/855162137.db2.gz MQJKSVVQGAIEME-OAGGEKHMSA-N 2 0 361.552 0.834 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001215990231 855163066 /nfs/dbraw/zinc/16/30/66/855163066.db2.gz XIFFWCXPAKGSIV-OWCLPIDISA-N 2 0 356.511 0.306 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216002690 855164352 /nfs/dbraw/zinc/16/43/52/855164352.db2.gz ZGKYCJKVNRHRDK-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216053428 855166491 /nfs/dbraw/zinc/16/64/91/855166491.db2.gz MUNCTPHTTVVVAS-HLLBOEOZSA-N 2 0 350.507 0.822 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216226592 855182022 /nfs/dbraw/zinc/18/20/22/855182022.db2.gz XUWIBZUAWCGDSH-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001216382854 855196831 /nfs/dbraw/zinc/19/68/31/855196831.db2.gz DVZVPONMQXCICJ-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463628 855204876 /nfs/dbraw/zinc/20/48/76/855204876.db2.gz GTSDMMXVZCSYEJ-NVXWUHKLSA-N 2 0 356.511 0.308 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001216490636 855207485 /nfs/dbraw/zinc/20/74/85/855207485.db2.gz HUVCQQAWHDZFRN-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216844997 855256224 /nfs/dbraw/zinc/25/62/24/855256224.db2.gz SVJIEYHMFDEKKJ-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852056 855259759 /nfs/dbraw/zinc/25/97/59/855259759.db2.gz NAOHNQYJQIHYON-HUUCEWRRSA-N 2 0 362.540 0.093 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216852397 855260673 /nfs/dbraw/zinc/26/06/73/855260673.db2.gz XXCOVKJHNWPODY-HZSPNIEDSA-N 2 0 369.428 0.703 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216852200 855260726 /nfs/dbraw/zinc/26/07/26/855260726.db2.gz RSFZJPYEEYZGRH-HYVNUMGLSA-N 2 0 350.507 0.917 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217923321 855383479 /nfs/dbraw/zinc/38/34/79/855383479.db2.gz LRPDDTUPDJRKAS-FGTMMUONSA-N 2 0 351.491 0.665 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)CCCCC1 ZINC001218355005 855417491 /nfs/dbraw/zinc/41/74/91/855417491.db2.gz IVVPRQOCOJNCAY-DLBZAZTESA-N 2 0 353.507 0.793 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218471275 855428522 /nfs/dbraw/zinc/42/85/22/855428522.db2.gz FYGNLXKFWWQFCJ-GARJFASQSA-N 2 0 350.419 0.138 20 0 FCADRP COC(=O)c1nc(Br)cnc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218524081 855434016 /nfs/dbraw/zinc/43/40/16/855434016.db2.gz IRROOCXJAOPOCS-ZETCQYMHSA-N 2 0 360.212 0.421 20 0 FCADRP CCOC(=O)c1c(C)csc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218532944 855435142 /nfs/dbraw/zinc/43/51/42/855435142.db2.gz WCHKZNMRAZMILP-LBPRGKRZSA-N 2 0 354.476 0.922 20 0 FCADRP CN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533925 855436748 /nfs/dbraw/zinc/43/67/48/855436748.db2.gz UAXLPZFLAPLWGG-YPMHNXCESA-N 2 0 365.503 0.350 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)CC1 ZINC001218551006 855438901 /nfs/dbraw/zinc/43/89/01/855438901.db2.gz ZAIQLFAVOJXYJT-DLBZAZTESA-N 2 0 351.491 0.666 20 0 FCADRP CCOc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cnc1Br ZINC001218580175 855443576 /nfs/dbraw/zinc/44/35/76/855443576.db2.gz XVUMZQWXYRMOGS-SNVBAGLBSA-N 2 0 355.236 0.990 20 0 FCADRP Nc1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(I)c1 ZINC001218680217 855463523 /nfs/dbraw/zinc/46/35/23/855463523.db2.gz VQARGZQLPKLHNO-VIFPVBQESA-N 2 0 363.203 0.663 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218699194 855466323 /nfs/dbraw/zinc/46/63/23/855466323.db2.gz VEZSVDZRMFJTHZ-NSHDSACASA-N 2 0 359.883 0.529 20 0 FCADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710246 855468226 /nfs/dbraw/zinc/46/82/26/855468226.db2.gz DGXDRHHTPZSRCL-NWDGAFQWSA-N 2 0 368.459 0.452 20 0 FCADRP CCOC(=O)c1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccn1CC ZINC001218717650 855469672 /nfs/dbraw/zinc/46/96/72/855469672.db2.gz HGYFZGLQWZHPFK-ZDUSSCGKSA-N 2 0 351.451 0.374 20 0 FCADRP Cc1cnn(C2CCOCC2)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218741829 855473361 /nfs/dbraw/zinc/47/33/61/855473361.db2.gz RJCNHXYWPWEELW-HNNXBMFYSA-N 2 0 350.467 0.232 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001218756780 855475599 /nfs/dbraw/zinc/47/55/99/855475599.db2.gz OJHXGBVQJZQUOX-SSDOTTSWSA-N 2 0 351.760 0.841 20 0 FCADRP CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@H]([NH3+])CCCNC(N)=O)c2C1 ZINC001218754099 855475663 /nfs/dbraw/zinc/47/56/63/855475663.db2.gz LWLQKJHHGMMWQW-GFCCVEGCSA-N 2 0 368.507 0.813 20 0 FCADRP COc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ncc1C(F)(F)F ZINC001218796496 855480268 /nfs/dbraw/zinc/48/02/68/855480268.db2.gz ZEGURCHQDXKOCS-LLVKDONJSA-N 2 0 361.368 0.798 20 0 FCADRP CC(C)(C)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)S(=O)(=O)c1cccc(N)c1 ZINC001218846780 855485684 /nfs/dbraw/zinc/48/56/84/855485684.db2.gz JQLIPCNYBJCXNK-CQSZACIVSA-N 2 0 366.487 0.394 20 0 FCADRP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218852717 855486690 /nfs/dbraw/zinc/48/66/90/855486690.db2.gz DBJJSHXYSOYDND-HNNXBMFYSA-N 2 0 355.460 0.754 20 0 FCADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218894379 855492801 /nfs/dbraw/zinc/49/28/01/855492801.db2.gz OIXBAJJZBWXDPH-AWEZNQCLSA-N 2 0 366.487 0.750 20 0 FCADRP Nc1cc(F)c(Br)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218924696 855498025 /nfs/dbraw/zinc/49/80/25/855498025.db2.gz OGYVZAUFDIKYMK-GFCCVEGCSA-N 2 0 374.258 0.859 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001218970582 855505476 /nfs/dbraw/zinc/50/54/76/855505476.db2.gz KYEBTZQHELCPBR-YESZJQIVSA-N 2 0 355.479 0.045 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(OC)cc1Cl ZINC001218984885 855506638 /nfs/dbraw/zinc/50/66/38/855506638.db2.gz ZKKMVAIRQWUHBQ-SNVBAGLBSA-N 2 0 353.806 0.883 20 0 FCADRP COc1ccc(Br)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001219078328 855539294 /nfs/dbraw/zinc/53/92/94/855539294.db2.gz GOJVOIDOPCKJCW-QMMMGPOBSA-N 2 0 359.224 0.561 20 0 FCADRP COc1ccc(Br)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001219078327 855539488 /nfs/dbraw/zinc/53/94/88/855539488.db2.gz GOJVOIDOPCKJCW-MRVPVSSYSA-N 2 0 359.224 0.561 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219164399 855568521 /nfs/dbraw/zinc/56/85/21/855568521.db2.gz ZOVRWYJTCTYWCA-NSHDSACASA-N 2 0 353.375 0.412 20 0 FCADRP C[C@]1(C(=O)N(c2cccc(F)c2N)C2CC[NH2+]CC2)CC[NH2+]C[C@H]1O ZINC001219280216 855615634 /nfs/dbraw/zinc/61/56/34/855615634.db2.gz BHPKTCOUOSHOKL-QAPCUYQASA-N 2 0 350.438 0.853 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283246 855616347 /nfs/dbraw/zinc/61/63/47/855616347.db2.gz HPYUGYSWNDKXHK-RZFZLAGVSA-N 2 0 356.467 0.589 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290389 855618626 /nfs/dbraw/zinc/61/86/26/855618626.db2.gz AIWZVLXZCJLBLC-LBPRGKRZSA-N 2 0 351.426 0.675 20 0 FCADRP [NH3+]CCOCCOCC(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301030 855621539 /nfs/dbraw/zinc/62/15/39/855621539.db2.gz FXKKMOMZYRTLKF-UHFFFAOYSA-N 2 0 355.410 0.887 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CC(F)F)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503335 855696520 /nfs/dbraw/zinc/69/65/20/855696520.db2.gz HBNHBBDBMGYWDP-XXFAHNHDSA-N 2 0 354.357 0.799 20 0 FCADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001219553626 855711918 /nfs/dbraw/zinc/71/19/18/855711918.db2.gz DGUYJERAZGOAQQ-HOTGVXAUSA-N 2 0 366.531 0.472 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650586 855755728 /nfs/dbraw/zinc/75/57/28/855755728.db2.gz PPVSXWIWVRHPRU-QMHWVQJVSA-N 2 0 372.579 0.960 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001219661174 855758256 /nfs/dbraw/zinc/75/82/56/855758256.db2.gz YXTPWLOTEHGSNY-MLHJIOFPSA-N 2 0 355.523 0.941 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001219714826 855782847 /nfs/dbraw/zinc/78/28/47/855782847.db2.gz ZHVWAGFFFVBRPL-XJFOESAGSA-N 2 0 354.248 0.201 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1csc(C2CC[NH2+]CC2)n1 ZINC001219751657 855798640 /nfs/dbraw/zinc/79/86/40/855798640.db2.gz VKAXVWNAIKYFHA-UHFFFAOYSA-N 2 0 361.475 0.625 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219770563 855807773 /nfs/dbraw/zinc/80/77/73/855807773.db2.gz ARPCKUMLRZGPQU-GWCFXTLKSA-N 2 0 356.364 0.370 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219773192 855808704 /nfs/dbraw/zinc/80/87/04/855808704.db2.gz NDERNXAITLJPHQ-AWEZNQCLSA-N 2 0 355.504 0.049 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801141 855820712 /nfs/dbraw/zinc/82/07/12/855820712.db2.gz UIPRFPDDLQCWMB-KGLIPLIRSA-N 2 0 355.479 0.711 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c2ccsc2)C1 ZINC001219831404 855836260 /nfs/dbraw/zinc/83/62/60/855836260.db2.gz JSIYYZOYUSJCTI-ALYAQQCSSA-N 2 0 364.515 0.705 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219834672 855837287 /nfs/dbraw/zinc/83/72/87/855837287.db2.gz RXWVSNCVOLIMRS-CXTNEJHOSA-N 2 0 365.396 0.428 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838887 855839391 /nfs/dbraw/zinc/83/93/91/855839391.db2.gz VXJXXBGWHGWBGL-ZXFNITATSA-N 2 0 355.479 0.043 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c2ccsc2)C1 ZINC001219847565 855844481 /nfs/dbraw/zinc/84/44/81/855844481.db2.gz KVXJLIILANKMTL-QUSNUVHPSA-N 2 0 364.515 0.848 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1C[C@@H](Cc2ccccc2I)C[NH2+]1 ZINC001219869093 855853652 /nfs/dbraw/zinc/85/36/52/855853652.db2.gz XQXUOLNVPQLSAO-MFKMUULPSA-N 2 0 373.238 0.887 20 0 FCADRP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877554 855857619 /nfs/dbraw/zinc/85/76/19/855857619.db2.gz KYBNYAOXQUKZTN-WBXGCANISA-N 2 0 353.507 0.862 20 0 FCADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1)OC ZINC001219919898 855878546 /nfs/dbraw/zinc/87/85/46/855878546.db2.gz SHZGAXWXCGSGFO-ZACQAIPSSA-N 2 0 350.463 0.494 20 0 FCADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1)OC ZINC001219919897 855878945 /nfs/dbraw/zinc/87/89/45/855878945.db2.gz SHZGAXWXCGSGFO-BBWFWOEESA-N 2 0 350.463 0.494 20 0 FCADRP CS(=O)(=O)N(C(=O)c1ccc([C@H](N)C[NH3+])cc1)c1ccc(C[NH3+])cc1 ZINC001219939133 855888128 /nfs/dbraw/zinc/88/81/28/855888128.db2.gz SGKNHAFACGKKDB-MRXNPFEDSA-N 2 0 362.455 0.710 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CC1 ZINC001219944390 855890884 /nfs/dbraw/zinc/89/08/84/855890884.db2.gz YSBHTQQKNBASOV-IKGGRYGDSA-N 2 0 351.491 0.591 20 0 FCADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219998770 855912070 /nfs/dbraw/zinc/91/20/70/855912070.db2.gz BESICWOVGKUWAZ-MRXNPFEDSA-N 2 0 368.503 0.160 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020823 855921635 /nfs/dbraw/zinc/92/16/35/855921635.db2.gz XDNDCTQNADFNMD-JKOKRWQUSA-N 2 0 368.507 0.073 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001220120507 855970739 /nfs/dbraw/zinc/97/07/39/855970739.db2.gz FQJMZPSMTRPFAN-LBPRGKRZSA-N 2 0 367.475 0.417 20 0 FCADRP CN(C)Cc1nc(CSCCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cs1 ZINC001220129165 855973718 /nfs/dbraw/zinc/97/37/18/855973718.db2.gz ZKTGGTXNXXRCCF-OAHLLOKOSA-N 2 0 371.576 0.881 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161970 855988556 /nfs/dbraw/zinc/98/85/56/855988556.db2.gz HBLPXKHUJRIUOF-LZLYRXPVSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220161222 855988576 /nfs/dbraw/zinc/98/85/76/855988576.db2.gz AMNKZTYFNKFFSQ-INMHGKMJSA-N 2 0 369.531 0.439 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220263587 856035003 /nfs/dbraw/zinc/03/50/03/856035003.db2.gz QCAMSFFGRJXBOD-OAHLLOKOSA-N 2 0 354.476 0.022 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001220297166 856050299 /nfs/dbraw/zinc/05/02/99/856050299.db2.gz NUJQVKYMWXWQNB-FGTMMUONSA-N 2 0 355.523 0.941 20 0 FCADRP Cn1cc(Br)c(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001220334857 856071429 /nfs/dbraw/zinc/07/14/29/856071429.db2.gz DMWJKWUKEGHBTE-LLVKDONJSA-N 2 0 356.268 0.673 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH+](C)CC1 ZINC001220345698 856078041 /nfs/dbraw/zinc/07/80/41/856078041.db2.gz MERIWTNXLUZEGL-CQSZACIVSA-N 3 0 352.479 0.004 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220478783 856146822 /nfs/dbraw/zinc/14/68/22/856146822.db2.gz KNAUBAGCRFJYOG-FGTMMUONSA-N 2 0 353.507 0.695 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220519718 856165118 /nfs/dbraw/zinc/16/51/18/856165118.db2.gz ZCLVKBVBJNBARQ-MRXNPFEDSA-N 2 0 370.519 0.193 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001220519452 856165170 /nfs/dbraw/zinc/16/51/70/856165170.db2.gz OOSZFOUMKGEJFV-UHFFFAOYSA-N 2 0 350.463 0.102 20 0 FCADRP CC(C)([NH3+])CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535432 856171017 /nfs/dbraw/zinc/17/10/17/856171017.db2.gz BJKZXKDWJFXXQG-AWEZNQCLSA-N 3 0 370.519 0.788 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@H]1CC[NH2+]C[C@H]1F)S(=O)(=O)c1ccccc1 ZINC001220535930 856171384 /nfs/dbraw/zinc/17/13/84/856171384.db2.gz PZGZXLWUKQKCNZ-UONOGXRCSA-N 2 0 357.451 0.889 20 0 FCADRP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220567970 856188222 /nfs/dbraw/zinc/18/82/22/856188222.db2.gz RTARELFIARDYFG-OAHLLOKOSA-N 2 0 353.463 0.384 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc(Br)cc1 ZINC001220607138 856202875 /nfs/dbraw/zinc/20/28/75/856202875.db2.gz IFOADFUGNQWYIV-XJFOESAGSA-N 2 0 354.248 0.800 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2O)CC1 ZINC001220638165 856215621 /nfs/dbraw/zinc/21/56/21/856215621.db2.gz VDEPFBYOWWTWHK-MSOLQXFVSA-N 2 0 353.507 0.839 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728542 856266197 /nfs/dbraw/zinc/26/61/97/856266197.db2.gz PPBCNRVHXWBBCR-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220798849 856306553 /nfs/dbraw/zinc/30/65/53/856306553.db2.gz IVEXGUPAVHVEQN-BBWFWOEESA-N 2 0 357.495 0.075 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803326 856309055 /nfs/dbraw/zinc/30/90/55/856309055.db2.gz DWPXIBWXHLRZKG-VWYCJHECSA-N 2 0 353.385 0.963 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803349 856309454 /nfs/dbraw/zinc/30/94/54/856309454.db2.gz FFEGHWIJBWGLDW-QPSCCSFWSA-N 2 0 359.392 0.964 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[NH2+]C1 ZINC001220827593 856327658 /nfs/dbraw/zinc/32/76/58/856327658.db2.gz UOIKMOONHCEZIP-ZDUSSCGKSA-N 2 0 368.231 0.986 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220870657 856350484 /nfs/dbraw/zinc/35/04/84/856350484.db2.gz OAUICCPGQKOELQ-WCFLWFBJSA-N 2 0 369.263 0.517 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C2COC2)CC1 ZINC001220931072 856379475 /nfs/dbraw/zinc/37/94/75/856379475.db2.gz XSCYERKVJWKBNF-QBPKDAKJSA-N 2 0 350.507 0.558 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC001220985731 856407510 /nfs/dbraw/zinc/40/75/10/856407510.db2.gz DCASXSZBOWMOAL-NXHRZFHOSA-N 2 0 351.491 0.616 20 0 FCADRP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986020 856408705 /nfs/dbraw/zinc/40/87/05/856408705.db2.gz ORUQNNHSXZHVMC-NQVSYGGRSA-N 2 0 353.507 0.862 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccsc2)CC1 ZINC001221007032 856420190 /nfs/dbraw/zinc/42/01/90/856420190.db2.gz SMWOAQOHCMNYHK-KKUMJFAQSA-N 2 0 352.504 0.723 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221034941 856431765 /nfs/dbraw/zinc/43/17/65/856431765.db2.gz UWCPKJORLUANQW-YJBOKZPZSA-N 2 0 350.438 0.966 20 0 FCADRP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221128275 856473614 /nfs/dbraw/zinc/47/36/14/856473614.db2.gz LPCJEBQJYSLFRB-OAHLLOKOSA-N 2 0 369.531 0.439 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001221188603 856506898 /nfs/dbraw/zinc/50/68/98/856506898.db2.gz YWDCPDXCSIQHOB-ZFWWWQNUSA-N 2 0 352.435 0.013 20 0 FCADRP CC(C)(C)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221195103 856510370 /nfs/dbraw/zinc/51/03/70/856510370.db2.gz YWLHYPWUAQLJEV-GJZGRUSLSA-N 2 0 353.511 0.033 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)[C@H]2C1 ZINC001279269102 862804452 /nfs/dbraw/zinc/80/44/52/862804452.db2.gz JXQXRUBAXOFZFA-QZWWFDLISA-N 2 0 351.491 0.775 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccccc1 ZINC001221271338 856535130 /nfs/dbraw/zinc/53/51/30/856535130.db2.gz AWKGHJRZXOZMAB-PDJKYDCYSA-N 2 0 362.458 0.599 20 0 FCADRP C[C@@H](C[NH3+])C(=O)N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221344266 856552581 /nfs/dbraw/zinc/55/25/81/856552581.db2.gz VJAXMEHBSNFRIJ-JSGCOSHPSA-N 3 0 365.503 0.871 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552906 856604624 /nfs/dbraw/zinc/60/46/24/856604624.db2.gz JLXAMFIIJOQRPI-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCOCCOC)C[C@H]21 ZINC001221587761 856614704 /nfs/dbraw/zinc/61/47/04/856614704.db2.gz HEIBDAOHMJGIPF-BRWVUGGUSA-N 2 0 359.486 0.862 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221950385 856745634 /nfs/dbraw/zinc/74/56/34/856745634.db2.gz FSNXRZNEYCVLDJ-IXDOHACOSA-N 2 0 353.507 0.912 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001222017917 856768308 /nfs/dbraw/zinc/76/83/08/856768308.db2.gz CEKOEPCYICAWQN-KZNAEPCWSA-N 2 0 351.491 0.811 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912422 856950916 /nfs/dbraw/zinc/95/09/16/856950916.db2.gz TWQLERULANTEHI-KSZLIROESA-N 2 0 353.507 0.914 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001225377628 857037276 /nfs/dbraw/zinc/03/72/76/857037276.db2.gz CPIKMHBNLNVSKD-JHJVBQTASA-N 2 0 364.412 0.776 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001226564977 857109966 /nfs/dbraw/zinc/10/99/66/857109966.db2.gz RVXPMNKGJYYHTE-BZUAXINKSA-N 2 0 356.486 0.962 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227056729 857138570 /nfs/dbraw/zinc/13/85/70/857138570.db2.gz JTHXWIOOUXVEJH-MGPQQGTHSA-N 2 0 355.483 0.189 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)CC1 ZINC001228224477 857197399 /nfs/dbraw/zinc/19/73/99/857197399.db2.gz IDVRXEMCDCGYBP-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001228269162 857199196 /nfs/dbraw/zinc/19/91/96/857199196.db2.gz BDJLAEOYKVJIEX-ZIAGYGMSSA-N 2 0 351.451 0.972 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001228377416 857207739 /nfs/dbraw/zinc/20/77/39/857207739.db2.gz QIGPFFJTOJACTN-BFHYXJOUSA-N 2 0 369.428 0.895 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001228444879 857209356 /nfs/dbraw/zinc/20/93/56/857209356.db2.gz HQTXDYGSADXZGG-UMVBOHGHSA-N 2 0 352.483 0.212 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC001229711117 857283281 /nfs/dbraw/zinc/28/32/81/857283281.db2.gz WKNWRMDKESJFGN-MGPQQGTHSA-N 2 0 369.428 0.895 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229725125 857284389 /nfs/dbraw/zinc/28/43/89/857284389.db2.gz XWZJJONLZHBTBG-HZPDHXFCSA-N 2 0 350.463 0.787 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801711 857287634 /nfs/dbraw/zinc/28/76/34/857287634.db2.gz UHMDYCQZLOCKAH-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138040 857305876 /nfs/dbraw/zinc/30/58/76/857305876.db2.gz DDWJJLINQHRPSU-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141757 857306670 /nfs/dbraw/zinc/30/66/70/857306670.db2.gz SPOFKFPPHKRJHD-BRWVUGGUSA-N 2 0 357.495 0.123 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141614 857306841 /nfs/dbraw/zinc/30/68/41/857306841.db2.gz QJNMNPKXBMPOBB-IAGOWNOFSA-N 2 0 354.495 0.252 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230141491 857307007 /nfs/dbraw/zinc/30/70/07/857307007.db2.gz MZIRMRIPRNUUFB-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP CN(C)S(=O)(=O)N1CC2(C1)CCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001279477148 862905419 /nfs/dbraw/zinc/90/54/19/862905419.db2.gz HXYKXACOJCYWIB-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP CN(C)S(=O)(=O)N1CC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001279477194 862905633 /nfs/dbraw/zinc/90/56/33/862905633.db2.gz JGBDWKWJZSYIQM-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H]1[C@H](C)CNCC1(F)F)C2 ZINC001235331747 857422295 /nfs/dbraw/zinc/42/22/95/857422295.db2.gz YCLQQFRRRNLAJM-QWCKYMPWSA-N 2 0 357.445 0.808 20 0 FCADRP OC[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235442268 857424111 /nfs/dbraw/zinc/42/41/11/857424111.db2.gz KPYXMXVPMZEWRJ-OAHLLOKOSA-N 2 0 369.307 0.625 20 0 FCADRP Cc1c(Br)cncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870126 857433472 /nfs/dbraw/zinc/43/34/72/857433472.db2.gz IPCJKGVJANCTJX-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP CCS(=O)(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235871038 857433710 /nfs/dbraw/zinc/43/37/10/857433710.db2.gz ORHNLFOCJZPAQW-UHFFFAOYSA-N 2 0 354.520 0.065 20 0 FCADRP CCOc1ccc(F)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1F ZINC001236310929 857438891 /nfs/dbraw/zinc/43/88/91/857438891.db2.gz NJMXJRUCARMWHY-UHFFFAOYSA-N 2 0 358.433 0.979 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1scnc1Br ZINC001236310873 857438921 /nfs/dbraw/zinc/43/89/21/857438921.db2.gz CWSMLCCFKBHHJT-UHFFFAOYSA-N 2 0 364.313 0.521 20 0 FCADRP COc1cc(Cl)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1OC ZINC001236310236 857438978 /nfs/dbraw/zinc/43/89/78/857438978.db2.gz VOKRKKALOSWIJW-UHFFFAOYSA-N 2 0 372.897 0.973 20 0 FCADRP Cc1cnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Br)c1 ZINC001236312451 857439702 /nfs/dbraw/zinc/43/97/02/857439702.db2.gz SLSINMHGDDTSHA-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP C[NH+]1CCN(c2ccc(NS(=O)(=O)CC3CC[NH2+]CC3)nc2)CC1 ZINC001237472108 857453167 /nfs/dbraw/zinc/45/31/67/857453167.db2.gz SRYDGPYHJMCGSR-UHFFFAOYSA-N 2 0 353.492 0.575 20 0 FCADRP O=S(=O)(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001238201490 857464007 /nfs/dbraw/zinc/46/40/07/857464007.db2.gz GMOILHGBILZASJ-UKRRQHHQSA-N 2 0 351.472 0.914 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238226069 857464083 /nfs/dbraw/zinc/46/40/83/857464083.db2.gz DXGBJRHCIWVEFY-HNNXBMFYSA-N 2 0 366.487 0.798 20 0 FCADRP CN1c2ccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc2CC1=O ZINC001238879446 857485470 /nfs/dbraw/zinc/48/54/70/857485470.db2.gz LBDNVIWKUYWELZ-UHFFFAOYSA-N 2 0 354.476 0.202 20 0 FCADRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239076511 857505933 /nfs/dbraw/zinc/50/59/33/857505933.db2.gz DGLSUPLJHBEEKF-CQSZACIVSA-N 2 0 357.476 0.623 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001239077299 857507469 /nfs/dbraw/zinc/50/74/69/857507469.db2.gz GALMVSCVCFPTSF-QZTJIDSGSA-N 2 0 371.547 0.735 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001239082199 857509525 /nfs/dbraw/zinc/50/95/25/857509525.db2.gz VCBITUSQVYIVGC-OAHLLOKOSA-N 2 0 374.457 0.903 20 0 FCADRP CCc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239132028 857518050 /nfs/dbraw/zinc/51/80/50/857518050.db2.gz YPDPZVCUPXGIGB-UHFFFAOYSA-N 2 0 356.492 0.054 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC001239294878 857525410 /nfs/dbraw/zinc/52/54/10/857525410.db2.gz DBQDOSXFFCPALF-UHFFFAOYSA-N 2 0 361.368 0.752 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCc1ccccc1Cl ZINC001239449964 857528481 /nfs/dbraw/zinc/52/84/81/857528481.db2.gz CBNNWGNDKZXRAT-UHFFFAOYSA-N 2 0 371.938 0.830 20 0 FCADRP O[C@@H](CNc1ccc(N2CC[NH2+]CC2)c(F)c1)CC1(O)CC[NH2+]CC1 ZINC001245962077 857561831 /nfs/dbraw/zinc/56/18/31/857561831.db2.gz RMESVFPQASTIIK-OAHLLOKOSA-N 2 0 352.454 0.513 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001245979036 857561973 /nfs/dbraw/zinc/56/19/73/857561973.db2.gz SAILABXWTRHBJQ-WNRNVDISSA-N 3 0 355.429 0.696 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001245978175 857561989 /nfs/dbraw/zinc/56/19/89/857561989.db2.gz JYILBSNHUCOSCC-KMJFJPQNSA-N 3 0 355.429 0.552 20 0 FCADRP O[C@H](CNC1(c2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000520 857563173 /nfs/dbraw/zinc/56/31/73/857563173.db2.gz PRJKOTDUFUPJBC-KRWDZBQOSA-N 2 0 351.466 0.860 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCCOC1CC[NH2+]CC1 ZINC001245980183 857563426 /nfs/dbraw/zinc/56/34/26/857563426.db2.gz NBFKCVQTSIFLQW-ZWKOTPCHSA-N 3 0 357.445 0.944 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001246048645 857567197 /nfs/dbraw/zinc/56/71/97/857567197.db2.gz ZGZVGURQYHDVFU-KZCXMXTOSA-N 2 0 350.459 0.521 20 0 FCADRP O[C@]1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246053739 857567424 /nfs/dbraw/zinc/56/74/24/857567424.db2.gz TVWQDMGUJGWKEP-LJQANCHMSA-N 3 0 354.539 0.125 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001246068505 857568438 /nfs/dbraw/zinc/56/84/38/857568438.db2.gz HXRZYPFBZQTSIH-BBWFWOEESA-N 2 0 355.429 0.384 20 0 FCADRP CCOC(=O)C[C@@]1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001246135602 857568827 /nfs/dbraw/zinc/56/88/27/857568827.db2.gz YZVKDBJOTTZJKV-NIJMMLNUSA-N 2 0 353.463 0.334 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246138518 857569542 /nfs/dbraw/zinc/56/95/42/857569542.db2.gz JJVSPFAMVDNIPN-JYJNAYRXSA-N 2 0 368.547 0.388 20 0 FCADRP O=C([C@@H]1C[C@H](NC[C@@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246110942 857569580 /nfs/dbraw/zinc/56/95/80/857569580.db2.gz JSMUAXZAHSZPMQ-GMXVVIOVSA-N 2 0 352.426 0.381 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC[C@H](C)[NH3+] ZINC001246306171 857573720 /nfs/dbraw/zinc/57/37/20/857573720.db2.gz QAUWFLUEJDFFMN-QWHCGFSZSA-N 2 0 350.467 0.319 20 0 FCADRP FC(F)(F)c1cc(N2CC[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C2)ncn1 ZINC001246372032 857575933 /nfs/dbraw/zinc/57/59/33/857575933.db2.gz XSURPPCFGGLAEU-NWDGAFQWSA-N 2 0 356.396 0.758 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C3CCN([C@@H]4CC[NH2+]C4)CC3)C[C@H](C1)[NH2+]2 ZINC001246377617 857576138 /nfs/dbraw/zinc/57/61/38/857576138.db2.gz OQGPXIFQMNMTGJ-JTQQNFFNSA-N 3 0 350.507 0.475 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@@H]([C@@H]2CCC[NH2+]C2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246486410 857581587 /nfs/dbraw/zinc/58/15/87/857581587.db2.gz JEDGRXLOKXWNSV-VOAKCMCISA-N 2 0 366.453 0.770 20 0 FCADRP O=S(=O)(c1ccccc1)N(C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246530449 857584521 /nfs/dbraw/zinc/58/45/21/857584521.db2.gz YDVOLSACMPZTJA-MRXNPFEDSA-N 2 0 364.515 0.523 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H]1C(=O)OC ZINC001246603132 857585521 /nfs/dbraw/zinc/58/55/21/857585521.db2.gz MJZNPPNROHCATP-RBSFLKMASA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)N1CCNC[C@@]12CC[NH2+]C2 ZINC001246620867 857586890 /nfs/dbraw/zinc/58/68/90/857586890.db2.gz BADOXEUGCKQJNL-SFHVURJKSA-N 2 0 355.479 0.679 20 0 FCADRP O=C([C@@H]1C[C@H](N2CCC(OC3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246665932 857588423 /nfs/dbraw/zinc/58/84/23/857588423.db2.gz VGYOJSMNPSCLLN-YOEHRIQHSA-N 2 0 368.547 0.483 20 0 FCADRP O=C([C@@H]1C[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246677653 857589265 /nfs/dbraw/zinc/58/92/65/857589265.db2.gz KTYQMESBNWROBN-NCOADZHNSA-N 2 0 352.548 0.961 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677416 857589436 /nfs/dbraw/zinc/58/94/36/857589436.db2.gz DNMUVJREVXZBKO-KRXQYRFLSA-N 2 0 353.463 0.145 20 0 FCADRP C[C@@H]1C[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CC[NH2+]1 ZINC001246698389 857590977 /nfs/dbraw/zinc/59/09/77/857590977.db2.gz VSQZSCVIZWLXMN-DMRZNYOFSA-N 2 0 355.508 0.095 20 0 FCADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246710759 857592711 /nfs/dbraw/zinc/59/27/11/857592711.db2.gz QQFLKAYINHMQTG-CYLNWZRHSA-N 2 0 351.491 0.996 20 0 FCADRP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC001246732420 857593469 /nfs/dbraw/zinc/59/34/69/857593469.db2.gz HMDOPLWMQUYWCE-NVXWUHKLSA-N 2 0 357.520 0.834 20 0 FCADRP C[C@H]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[NH2+]1 ZINC001246729507 857594149 /nfs/dbraw/zinc/59/41/49/857594149.db2.gz ORBXSHRGPQMMCC-IRXDYDNUSA-N 2 0 351.539 0.297 20 0 FCADRP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246748659 857596706 /nfs/dbraw/zinc/59/67/06/857596706.db2.gz CADFFRBNVOCXMC-HRCADAONSA-N 2 0 361.515 0.721 20 0 FCADRP CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750405 857596750 /nfs/dbraw/zinc/59/67/50/857596750.db2.gz XTFHNYHQLMTTDA-NVXWUHKLSA-N 2 0 356.536 0.361 20 0 FCADRP CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750342 857597596 /nfs/dbraw/zinc/59/75/96/857597596.db2.gz ULVOKBKNYGEWQD-LPHOPBHVSA-N 2 0 350.507 0.430 20 0 FCADRP COCCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246805810 857600753 /nfs/dbraw/zinc/60/07/53/857600753.db2.gz DUIKMTHVNBGVNG-XHSDSOJGSA-N 2 0 356.536 0.340 20 0 FCADRP COC(=O)[C@@H](N)[C@H]1CCC[N@@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926498 857606434 /nfs/dbraw/zinc/60/64/34/857606434.db2.gz TXZJNIJBIVRUQP-KKKMWLMNSA-N 2 0 353.463 0.271 20 0 FCADRP CS(=O)(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246986326 857608627 /nfs/dbraw/zinc/60/86/27/857608627.db2.gz KCBDXUNUOIQSTO-OAHLLOKOSA-N 2 0 356.536 0.218 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CN1 ZINC001246985903 857609155 /nfs/dbraw/zinc/60/91/55/857609155.db2.gz AQWUJSKHTKUVLZ-PKOBYXMFSA-N 2 0 352.523 0.818 20 0 FCADRP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416381 857799185 /nfs/dbraw/zinc/79/91/85/857799185.db2.gz XDPXTVMCZMWHRN-ZBFHGGJFSA-N 2 0 352.431 0.869 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccns4)CC3)[C@@H]2C1 ZINC001279555744 862955919 /nfs/dbraw/zinc/95/59/19/862955919.db2.gz DPFWEVHDCRASBT-HZPDHXFCSA-N 2 0 363.531 0.717 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253182669 857868989 /nfs/dbraw/zinc/86/89/89/857868989.db2.gz SGXVEVGDRJGILF-RTBURBONSA-N 2 0 357.539 0.750 20 0 FCADRP C[N@@H+]1CCC[C@@H](NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001254513410 857975884 /nfs/dbraw/zinc/97/58/84/857975884.db2.gz YQSBECBMRNHKJJ-OAHLLOKOSA-N 2 0 352.504 0.890 20 0 FCADRP C[N@@H+]1CCC[C@H](NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001254513409 857976386 /nfs/dbraw/zinc/97/63/86/857976386.db2.gz YQSBECBMRNHKJJ-HNNXBMFYSA-N 2 0 352.504 0.890 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254855962 857988125 /nfs/dbraw/zinc/98/81/25/857988125.db2.gz SDBVPITWTAUABM-CYBMUJFWSA-N 2 0 354.476 0.566 20 0 FCADRP O=S(=O)(c1ccccn1)N([C@H]1CC[NH2+]C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254869783 857988916 /nfs/dbraw/zinc/98/89/16/857988916.db2.gz YGMNYXKYRHOBPN-HOTGVXAUSA-N 2 0 350.488 0.919 20 0 FCADRP COC[C@H](C)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001255562350 858019900 /nfs/dbraw/zinc/01/99/00/858019900.db2.gz VYDNAVYXQSLZHE-NQLMQOPMSA-N 2 0 361.527 0.790 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CC2CC[NH2+]CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279614737 862978747 /nfs/dbraw/zinc/97/87/47/862978747.db2.gz BKEHQMPIPDAUGA-IBGZPJMESA-N 3 0 351.539 0.204 20 0 FCADRP Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC[NH2+]CC2)c1 ZINC001279614771 862979295 /nfs/dbraw/zinc/97/92/95/862979295.db2.gz CWKLCMTUIIREJP-GASCZTMLSA-N 2 0 353.492 0.257 20 0 FCADRP O=S1(=O)CCN(CCC[NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256684939 858095635 /nfs/dbraw/zinc/09/56/35/858095635.db2.gz WBYIEOASZQLWHJ-UHFFFAOYSA-N 2 0 359.536 0.340 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001258150015 858180485 /nfs/dbraw/zinc/18/04/85/858180485.db2.gz WPVFWCGLZHPSLW-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](CC1CC1)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001258453659 858201585 /nfs/dbraw/zinc/20/15/85/858201585.db2.gz CEDBNXHBQRFPMN-KRWDZBQOSA-N 2 0 362.511 0.806 20 0 FCADRP C[C@H](Cc1cccnc1)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258615950 858208676 /nfs/dbraw/zinc/20/86/76/858208676.db2.gz UIHNPUNKRPSCRV-QGZVFWFLSA-N 2 0 355.479 0.627 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2CCN1CCOCC1 ZINC001279771493 863053202 /nfs/dbraw/zinc/05/32/02/863053202.db2.gz KMTGTFOWQRZYIM-PKOBYXMFSA-N 2 0 352.523 0.583 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001262621825 859021433 /nfs/dbraw/zinc/02/14/33/859021433.db2.gz ZKZJLTZTBGOPQQ-UHFFFAOYSA-N 2 0 353.507 0.652 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001263104080 859103037 /nfs/dbraw/zinc/10/30/37/859103037.db2.gz VFFODTZUJUUJJA-HUUCEWRRSA-N 2 0 356.536 0.565 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]([NH3+])CCSC)[C@@H]1CCS(=O)(=O)C1 ZINC001263111004 859104334 /nfs/dbraw/zinc/10/43/34/859104334.db2.gz OMTMJJMXMPLRKT-ZIAGYGMSSA-N 2 0 365.565 0.424 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264098294 859311474 /nfs/dbraw/zinc/31/14/74/859311474.db2.gz DUNGTDIPUTYDDD-FGTMMUONSA-N 2 0 353.507 0.506 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001270062047 859639055 /nfs/dbraw/zinc/63/90/55/859639055.db2.gz VPNFIARCSCEIPK-IDCJVQTKSA-N 2 0 350.507 0.679 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001270096137 859651361 /nfs/dbraw/zinc/65/13/61/859651361.db2.gz RFIKKAHRHSULBV-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822541 860272504 /nfs/dbraw/zinc/27/25/04/860272504.db2.gz YPJKKEYUKMJHSV-QFBILLFUSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001272824932 860272780 /nfs/dbraw/zinc/27/27/80/860272780.db2.gz GWSZNNRZMXKRDG-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273316940 860448017 /nfs/dbraw/zinc/44/80/17/860448017.db2.gz SVJMPFXBVOOVGT-TXPKVOOTSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001273454240 860493745 /nfs/dbraw/zinc/49/37/45/860493745.db2.gz NKTQVJHYBXKPIQ-FRQCXROJSA-N 2 0 350.507 0.587 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001273452854 860494112 /nfs/dbraw/zinc/49/41/12/860494112.db2.gz DESOWCHVBOUTLX-INIZCTEOSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)[NH+]1CCCC1 ZINC001273500752 860509743 /nfs/dbraw/zinc/50/97/43/860509743.db2.gz HMHYCJHWZVMTFX-PKOBYXMFSA-N 2 0 352.523 0.726 20 0 FCADRP CC[NH+](CC)CCC(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275053749 860920493 /nfs/dbraw/zinc/92/04/93/860920493.db2.gz NRCWXOPOCBQNFL-CALCHBBNSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(CC(C)(C)C[NH+](C)C)C2 ZINC001275507314 861115645 /nfs/dbraw/zinc/11/56/45/861115645.db2.gz AIFYIIRUMBVLBM-LJQANCHMSA-N 3 0 354.539 0.687 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CC2CCOCC2)CC1 ZINC001275555554 861126237 /nfs/dbraw/zinc/12/62/37/861126237.db2.gz VOXKYPQPSRGNGD-UHFFFAOYSA-N 2 0 351.491 0.668 20 0 FCADRP CCN(CC)C(=O)CN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737146 861180270 /nfs/dbraw/zinc/18/02/70/861180270.db2.gz INYOJIVBSYNYGC-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP CCS(=O)(=O)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737889 861181275 /nfs/dbraw/zinc/18/12/75/861181275.db2.gz QPVPCDJKXVKWOE-SFHVURJKSA-N 2 0 371.547 0.878 20 0 FCADRP CN(C)C(=O)CCNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275737823 861181606 /nfs/dbraw/zinc/18/16/06/861181606.db2.gz OTSVNCXWFNPEDM-MRXNPFEDSA-N 2 0 350.507 0.683 20 0 FCADRP O=C1N(CCN2CCOCC2)CC[C@@]12CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737843 861181939 /nfs/dbraw/zinc/18/19/39/861181939.db2.gz PIUZWNMTEUPSSR-IBGZPJMESA-N 2 0 350.507 0.385 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]23)CC1 ZINC001279891648 863118759 /nfs/dbraw/zinc/11/87/59/863118759.db2.gz DVFHFECPLOBDNH-VNQPRFMTSA-N 2 0 350.463 0.262 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001279976443 863163334 /nfs/dbraw/zinc/16/33/34/863163334.db2.gz WUDRSIDTPBWBIP-OAHLLOKOSA-N 2 0 365.547 0.194 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001279993200 863171127 /nfs/dbraw/zinc/17/11/27/863171127.db2.gz LMBHSPIYFLRJLQ-UHFFFAOYSA-N 2 0 369.579 0.689 20 0 FCADRP O=C(C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12)N1CC(F)(C2CC2)C1 ZINC001280135234 863285224 /nfs/dbraw/zinc/28/52/24/863285224.db2.gz KNPZFCOAFVVSRK-LSDHHAIUSA-N 2 0 350.438 0.633 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001280137657 863288456 /nfs/dbraw/zinc/28/84/56/863288456.db2.gz METFCKFPCKPHQY-OAHLLOKOSA-N 2 0 357.520 0.249 20 0 FCADRP Cc1nc(CNC(=O)[C@@H]2CCSC23C[NH+](CC2CC[NH2+]CC2)C3)no1 ZINC001280138494 863288471 /nfs/dbraw/zinc/28/84/71/863288471.db2.gz ZIWXRDDMVBHXSP-AWEZNQCLSA-N 2 0 365.503 0.801 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280137567 863288513 /nfs/dbraw/zinc/28/85/13/863288513.db2.gz KVUKBTGBFINDHL-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](C[C@@H]2CCCO2)C3)CC1 ZINC001280191053 863319763 /nfs/dbraw/zinc/31/97/63/863319763.db2.gz CELQMWOOTKQOPJ-IRXDYDNUSA-N 2 0 351.491 0.714 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@H+](C[C@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195811 863324653 /nfs/dbraw/zinc/32/46/53/863324653.db2.gz VSUXXOZOZYSWJX-BGTYHANMSA-N 2 0 351.491 0.855 20 0 FCADRP C[NH+](C)CCN1CC2(C1)CCOC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280219687 863345541 /nfs/dbraw/zinc/34/55/41/863345541.db2.gz VXZXSPSMNAZSFQ-KRWDZBQOSA-N 2 0 352.523 0.439 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH2+]C23CC(C(=O)N4CC(N5CC(F)C5)C4)(C2)C3)C1 ZINC001280259604 863366233 /nfs/dbraw/zinc/36/62/33/863366233.db2.gz XIXAWIVHNBQOII-FTXHTYHOSA-N 2 0 350.482 0.705 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001282307133 864180897 /nfs/dbraw/zinc/18/08/97/864180897.db2.gz SPCJEQROLAQEFA-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001288980066 864835918 /nfs/dbraw/zinc/83/59/18/864835918.db2.gz PFPSTHYCOGKPDL-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001289500046 865102303 /nfs/dbraw/zinc/10/23/03/865102303.db2.gz RXECTIMQPORFMH-INMHGKMJSA-N 2 0 356.511 0.256 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)[NH+](C)C ZINC001289535221 865122841 /nfs/dbraw/zinc/12/28/41/865122841.db2.gz CZYCEWNKADOHEE-RBSFLKMASA-N 2 0 354.495 0.010 20 0 FCADRP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290857781 865531202 /nfs/dbraw/zinc/53/12/02/865531202.db2.gz PEOFXWZACMXWOD-KRWDZBQOSA-N 2 0 350.511 0.964 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294457491 865836636 /nfs/dbraw/zinc/83/66/36/865836636.db2.gz MQZDKCATKUOJGI-FUHWJXTLSA-N 2 0 350.511 0.821 20 0 FCADRP CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001306599246 866622680 /nfs/dbraw/zinc/62/26/80/866622680.db2.gz UGVQVVZNZCLMLI-AWEZNQCLSA-N 2 0 360.499 0.478 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001350742638 866675103 /nfs/dbraw/zinc/67/51/03/866675103.db2.gz HKJICERPPUOYDV-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001308820555 866720632 /nfs/dbraw/zinc/72/06/32/866720632.db2.gz MSNQJRXIQVQNGU-SJORKVTESA-N 2 0 373.563 0.728 20 0 FCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cnn3ccccc23)C[C@H]1C[NH+](C)C ZINC001309758776 866883408 /nfs/dbraw/zinc/88/34/08/866883408.db2.gz KIVFILJMSOJZGF-HUUCEWRRSA-N 2 0 365.503 0.694 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001351513047 866888943 /nfs/dbraw/zinc/88/89/43/866888943.db2.gz USNHEZDEEUXMSV-FUHWJXTLSA-N 2 0 350.507 0.478 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001311531501 867109448 /nfs/dbraw/zinc/10/94/48/867109448.db2.gz ABWKXERNBQUJBQ-MRXNPFEDSA-N 2 0 355.527 0.158 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC001352850311 867275192 /nfs/dbraw/zinc/27/51/92/867275192.db2.gz QTHISHWZUOZRPP-JQWIXIFHSA-N 2 0 360.384 0.802 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC001353293787 867390615 /nfs/dbraw/zinc/39/06/15/867390615.db2.gz VHIBOMJKINISRW-HDJSIYSDSA-N 2 0 354.520 0.318 20 0 FCADRP CS(=O)(=O)CCN1CCC(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001353339424 867400056 /nfs/dbraw/zinc/40/00/56/867400056.db2.gz KANNCPZZJXTBAN-KRWDZBQOSA-N 2 0 372.535 0.423 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758713 867459755 /nfs/dbraw/zinc/45/97/55/867459755.db2.gz MQAOVSFVLPHNIE-CVEARBPZSA-N 2 0 359.536 0.543 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001318975594 867794106 /nfs/dbraw/zinc/79/41/06/867794106.db2.gz XIHSVEULNGJQEO-DOTOQJQBSA-N 2 0 353.511 0.032 20 0 FCADRP Cn1cc(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)cn1 ZINC001319048212 867815235 /nfs/dbraw/zinc/81/52/35/867815235.db2.gz UEPVBZCMYYJAGE-OAHLLOKOSA-N 2 0 351.499 0.134 20 0 FCADRP NC(=O)C[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CC(N)=O)C2)C1 ZINC001319829971 868014203 /nfs/dbraw/zinc/01/42/03/868014203.db2.gz IYCBZEQMEMLJCI-HZPDHXFCSA-N 2 0 354.495 0.178 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608433 868031616 /nfs/dbraw/zinc/03/16/16/868031616.db2.gz NZOQZKQGEQYAEI-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP O=C(C[NH2+]C[C@H](O)COc1ccc(F)cc1)NCC[NH+]1CCCCC1 ZINC001357211043 868087300 /nfs/dbraw/zinc/08/73/00/868087300.db2.gz RKJKIBDFQRPHKV-INIZCTEOSA-N 2 0 353.438 0.757 20 0 FCADRP CC(C)C[C@H](NC[C@@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001357209252 868087443 /nfs/dbraw/zinc/08/74/43/868087443.db2.gz FWNGDRRUMJVNPK-KURKYZTESA-N 2 0 354.539 0.610 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC001321343247 868437360 /nfs/dbraw/zinc/43/73/60/868437360.db2.gz APKQGCPSYWLKEO-UONOGXRCSA-N 2 0 352.504 0.877 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546641 868511270 /nfs/dbraw/zinc/51/12/70/868511270.db2.gz HNEVHHDLXSHDCI-WMLDXEAASA-N 2 0 354.520 0.237 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001322551483 868856251 /nfs/dbraw/zinc/85/62/51/868856251.db2.gz PNLSZUMUFOKYPX-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC001325373553 869867837 /nfs/dbraw/zinc/86/78/37/869867837.db2.gz XBCUDAAWXGNZJF-CYBMUJFWSA-N 2 0 365.444 0.948 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1)CS(C)(=O)=O ZINC001325741118 870013367 /nfs/dbraw/zinc/01/33/67/870013367.db2.gz VNHLVSRXWVEPIH-DMRKSPOLSA-N 2 0 371.547 0.398 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC001325830568 870051278 /nfs/dbraw/zinc/05/12/78/870051278.db2.gz XUQXZPFHEBJUDB-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001343590191 870503372 /nfs/dbraw/zinc/50/33/72/870503372.db2.gz ABIXRNUTFKEAQJ-UHFFFAOYSA-N 2 0 352.479 0.844 20 0 FCADRP [NH3+]CCCn1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC001326805796 870507895 /nfs/dbraw/zinc/50/78/95/870507895.db2.gz MLHVCOIZRHPQII-UHFFFAOYSA-N 2 0 350.467 0.344 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCCC1 ZINC001326876001 870546375 /nfs/dbraw/zinc/54/63/75/870546375.db2.gz WHOLJKJURQVQMY-YJBOKZPZSA-N 2 0 350.507 0.955 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001326882518 870550336 /nfs/dbraw/zinc/55/03/36/870550336.db2.gz DVUSIVCPJVTEBP-GJYPPUQNSA-N 2 0 350.507 0.764 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC001327196885 870711720 /nfs/dbraw/zinc/71/17/20/870711720.db2.gz YAWDCDHZCVTRMB-OAHLLOKOSA-N 2 0 350.467 0.390 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCCCC1 ZINC001327504184 870912909 /nfs/dbraw/zinc/91/29/09/870912909.db2.gz NZAUXNNYNAPXTN-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327517486 870918949 /nfs/dbraw/zinc/91/89/49/870918949.db2.gz NSEHYEGSMPUASP-UHFFFAOYSA-N 2 0 350.507 0.971 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001328768239 871614392 /nfs/dbraw/zinc/61/43/92/871614392.db2.gz JEIDIBCBUAVTRW-AWEZNQCLSA-N 2 0 352.454 0.830 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328846841 871663096 /nfs/dbraw/zinc/66/30/96/871663096.db2.gz VSSWOARTYBUQSC-BZSNNMDCSA-N 2 0 352.523 0.759 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC001346237290 871721086 /nfs/dbraw/zinc/72/10/86/871721086.db2.gz OTIDEIKIWOASCW-INIZCTEOSA-N 2 0 354.495 0.637 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606328 871928087 /nfs/dbraw/zinc/92/80/87/871928087.db2.gz KKTFQOMPHSDIPW-HRCADAONSA-N 2 0 355.527 0.107 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001329316782 871950217 /nfs/dbraw/zinc/95/02/17/871950217.db2.gz PZFGTNZEOFRKCM-HOTGVXAUSA-N 2 0 360.524 0.133 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nnnn1C ZINC001346916390 872061181 /nfs/dbraw/zinc/06/11/81/872061181.db2.gz FALUVNYZHWDXEU-KBPBESRZSA-N 2 0 352.487 0.329 20 0 FCADRP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001347187298 872208884 /nfs/dbraw/zinc/20/88/84/872208884.db2.gz QESATBOAJOUEEY-DOTOQJQBSA-N 2 0 353.511 0.127 20 0 FCADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001330006951 872415497 /nfs/dbraw/zinc/41/54/97/872415497.db2.gz CVRLSMILIIUXAI-GVDBMIGSSA-N 2 0 353.532 0.871 20 0 FCADRP C[C@@H](C(=O)NC[C@@H]1CCCO1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330776816 872808630 /nfs/dbraw/zinc/80/86/30/872808630.db2.gz AXHUMXLISSOANU-BBRMVZONSA-N 2 0 350.467 0.100 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CC[NH2+]CC2 ZINC001348945177 872834361 /nfs/dbraw/zinc/83/43/61/872834361.db2.gz WXBLZCIPGLGCRT-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001331020411 872916868 /nfs/dbraw/zinc/91/68/68/872916868.db2.gz DBAJLWJEZLKTIH-AWEZNQCLSA-N 2 0 366.487 0.286 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119789 872968155 /nfs/dbraw/zinc/96/81/55/872968155.db2.gz PXTJMZKWAJSQCG-VIQHNZTISA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001332568729 873561454 /nfs/dbraw/zinc/56/14/54/873561454.db2.gz ONUCDWAIOUZSMD-OALUTQOASA-N 2 0 355.523 0.379 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001332974825 873741880 /nfs/dbraw/zinc/74/18/80/873741880.db2.gz BWDOUVMYFYHTQD-CMPLNLGQSA-N 2 0 354.405 0.964 20 0 FCADRP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000826167516 947529891 /nfs/dbraw/zinc/52/98/91/947529891.db2.gz HLGXEDQVOXPPEL-UHFFFAOYSA-N 2 0 359.478 0.945 20 0 FCADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263596 949402493 /nfs/dbraw/zinc/40/24/93/949402493.db2.gz IHWYWICMFHODOI-SUMWQHHRSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263595 949403867 /nfs/dbraw/zinc/40/38/67/949403867.db2.gz IHWYWICMFHODOI-GUYCJALGSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706317 949455061 /nfs/dbraw/zinc/45/50/61/949455061.db2.gz LZIFSVLEVUDJHH-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706313 949455407 /nfs/dbraw/zinc/45/54/07/949455407.db2.gz LZIFSVLEVUDJHH-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709209 949500539 /nfs/dbraw/zinc/50/05/39/949500539.db2.gz YNDDEZGKWPKJQF-BBRMVZONSA-N 2 0 372.477 0.815 20 0 FCADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575268779 949526019 /nfs/dbraw/zinc/52/60/19/949526019.db2.gz PCAFVUFNMOZACQ-STQMWFEESA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711926 949565810 /nfs/dbraw/zinc/56/58/10/949565810.db2.gz OBMXWRAQXNFBJQ-LBPRGKRZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575270115 949577449 /nfs/dbraw/zinc/57/74/49/949577449.db2.gz BFISYIMJEQRLDP-CYBMUJFWSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574956753 949586969 /nfs/dbraw/zinc/58/69/69/949586969.db2.gz MXWIAOLZSQGZKB-UMVBOHGHSA-N 2 0 357.462 0.801 20 0 FCADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169959 949698293 /nfs/dbraw/zinc/69/82/93/949698293.db2.gz IJOIEODPXDBVED-CZUORRHYSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575286035 949970217 /nfs/dbraw/zinc/97/02/17/949970217.db2.gz SJVBPGALCVFXOP-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196459 950363978 /nfs/dbraw/zinc/36/39/78/950363978.db2.gz FAHOEVJSRVCRJY-KBPBESRZSA-N 2 0 370.461 0.286 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205318 950508487 /nfs/dbraw/zinc/50/84/87/950508487.db2.gz XBVBSSKKWHHKNN-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575927045 950731071 /nfs/dbraw/zinc/73/10/71/950731071.db2.gz ZTKFIYBRZRGKPK-TZMCWYRMSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001575090273 951758938 /nfs/dbraw/zinc/75/89/38/951758938.db2.gz KFTONEMJBZFOCV-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096141 951818788 /nfs/dbraw/zinc/81/87/88/951818788.db2.gz ZMQXDNXNKIHHTM-CZUORRHYSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099810 951840015 /nfs/dbraw/zinc/84/00/15/951840015.db2.gz OXBMAAIJWJXPQV-AAEUAGOBSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575107309 951917424 /nfs/dbraw/zinc/91/74/24/951917424.db2.gz BZADYUKUPXBSHV-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575110236 951937107 /nfs/dbraw/zinc/93/71/07/951937107.db2.gz YKKKCQSBZWCABD-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113892 951949728 /nfs/dbraw/zinc/94/97/28/951949728.db2.gz HRVRBMVUKDFHKD-XJKSGUPXSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571077984 952123592 /nfs/dbraw/zinc/12/35/92/952123592.db2.gz KMHYCKKCAIYIOO-MQMHXKEQSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575145023 952177246 /nfs/dbraw/zinc/17/72/46/952177246.db2.gz OFQNEYYNELNNLK-DOMZBBRYSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571104812 952382566 /nfs/dbraw/zinc/38/25/66/952382566.db2.gz CQXSQAXIGGOKSB-XJKCOSOUSA-N 2 0 373.436 0.837 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000291990181 214070644 /nfs/dbraw/zinc/07/06/44/214070644.db2.gz WMOOCCJAOQFLQZ-KBPBESRZSA-N 2 0 370.519 0.702 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC000293128765 214147819 /nfs/dbraw/zinc/14/78/19/214147819.db2.gz IRCNCLWQEUSAAI-AWEZNQCLSA-N 2 0 364.494 0.792 20 0 FCADRP O=C(CCn1cnccc1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000293464109 214176408 /nfs/dbraw/zinc/17/64/08/214176408.db2.gz QIRGSENCSVWJBP-UHFFFAOYSA-N 2 0 370.457 0.357 20 0 FCADRP C[C@H](CNC(=O)c1cncc(C(=O)NC[C@@H](C)C[NH+](C)C)c1)C[NH+](C)C ZINC000293629367 214189013 /nfs/dbraw/zinc/18/90/13/214189013.db2.gz CQFAKIJYPQFICG-HUUCEWRRSA-N 2 0 363.506 0.937 20 0 FCADRP CSCC[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294621926 214256838 /nfs/dbraw/zinc/25/68/38/214256838.db2.gz RQZLGAXEDBDNET-MRXNPFEDSA-N 2 0 352.504 0.824 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410558160 529886323 /nfs/dbraw/zinc/88/63/23/529886323.db2.gz POAYTZMMIHLPHD-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410437017 529907710 /nfs/dbraw/zinc/90/77/10/529907710.db2.gz SEJYKFNUPDTSIW-KRWDZBQOSA-N 2 0 366.506 0.111 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC[C@H]21 ZINC000410951731 530064925 /nfs/dbraw/zinc/06/49/25/530064925.db2.gz GDHJMVCSPXIKRI-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CC[C@@H]21 ZINC000410720134 530058246 /nfs/dbraw/zinc/05/82/46/530058246.db2.gz QITMTGRJBMZODC-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000331552715 215014928 /nfs/dbraw/zinc/01/49/28/215014928.db2.gz WZEKXZSBPLUTPH-LOUJCGABSA-N 2 0 354.520 0.126 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000331600747 215021850 /nfs/dbraw/zinc/02/18/50/215021850.db2.gz ZRZGRAOLSNWCAG-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCCCC1 ZINC000331711143 215038061 /nfs/dbraw/zinc/03/80/61/215038061.db2.gz KUYXLYZIBAOEPO-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000331859592 215058543 /nfs/dbraw/zinc/05/85/43/215058543.db2.gz FRBWVXIBDYROOA-SFHVURJKSA-N 2 0 353.507 0.935 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248953 215116161 /nfs/dbraw/zinc/11/61/61/215116161.db2.gz CBPMACIADSIEGK-HLLBOEOZSA-N 2 0 366.506 0.155 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1C ZINC000332256068 215117173 /nfs/dbraw/zinc/11/71/73/215117173.db2.gz CSKDWMQYLUFIQJ-VIQHNZTISA-N 2 0 350.507 0.903 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332339073 215131863 /nfs/dbraw/zinc/13/18/63/215131863.db2.gz MRONNUAWJPWHPL-BHYGNILZSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332375781 215140199 /nfs/dbraw/zinc/14/01/99/215140199.db2.gz RMGZSXNDGWMQJZ-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332462416 215156332 /nfs/dbraw/zinc/15/63/32/215156332.db2.gz JPDGJKKMVWGJBF-ARFHVFGLSA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000332509710 215163448 /nfs/dbraw/zinc/16/34/48/215163448.db2.gz YXDNQGHTCOLXQS-BRWVUGGUSA-N 2 0 366.506 0.284 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C2)C1 ZINC000333318342 215262589 /nfs/dbraw/zinc/26/25/89/215262589.db2.gz MPNUTYZKFPSENW-GOSISDBHSA-N 2 0 359.478 0.836 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000333401805 215274628 /nfs/dbraw/zinc/27/46/28/215274628.db2.gz QBSRVYSVNJINCX-DLBZAZTESA-N 2 0 365.522 0.570 20 0 FCADRP C[C@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000333437389 215280268 /nfs/dbraw/zinc/28/02/68/215280268.db2.gz VOBWWYRXVRGQJE-RDJZCZTQSA-N 2 0 360.506 0.960 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000333492681 215288473 /nfs/dbraw/zinc/28/84/73/215288473.db2.gz VCYJGKJPDWIDRK-CVEARBPZSA-N 2 0 374.489 0.709 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490588 215288728 /nfs/dbraw/zinc/28/87/28/215288728.db2.gz DGDIVXZQLQROBN-ZFWWWQNUSA-N 2 0 363.428 0.560 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000333494936 215289842 /nfs/dbraw/zinc/28/98/42/215289842.db2.gz DSZNXIFLJGYXPW-MCIONIFRSA-N 2 0 363.428 0.558 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000333639483 215303880 /nfs/dbraw/zinc/30/38/80/215303880.db2.gz HWKVOZRLXSMPOJ-HRCADAONSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)C[C@H](C)O1 ZINC000333768816 215317584 /nfs/dbraw/zinc/31/75/84/215317584.db2.gz BRTHIMKPFAIHIW-SOLBZPMBSA-N 2 0 368.522 0.896 20 0 FCADRP C[C@@H]1NC(=O)N(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000333803946 215320211 /nfs/dbraw/zinc/32/02/11/215320211.db2.gz DXASZPAVTMZASM-KFWWJZLASA-N 2 0 352.479 0.748 20 0 FCADRP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333824304 215322446 /nfs/dbraw/zinc/32/24/46/215322446.db2.gz LIPFAKGKNYZZKN-JKSUJKDBSA-N 2 0 353.511 0.570 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333816036 215321163 /nfs/dbraw/zinc/32/11/63/215321163.db2.gz KCWDHMUHJBPMFR-NUJGCVRESA-N 2 0 365.522 0.759 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333838510 215324285 /nfs/dbraw/zinc/32/42/85/215324285.db2.gz NUFCXDDIXDMMBH-NUJGCVRESA-N 2 0 363.506 0.513 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333924684 215332444 /nfs/dbraw/zinc/33/24/44/215332444.db2.gz TWXDRMUBEJXMOE-INIZCTEOSA-N 2 0 354.495 0.699 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@H](C)[N@H+]1CCO ZINC000334000377 215336044 /nfs/dbraw/zinc/33/60/44/215336044.db2.gz RELUAWDGGFHNBM-CIRFHOKZSA-N 2 0 368.522 0.461 20 0 FCADRP CCCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000285736115 213385925 /nfs/dbraw/zinc/38/59/25/213385925.db2.gz AIYLSPBFJNBOLG-UHFFFAOYSA-N 2 0 361.490 0.968 20 0 FCADRP C[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)(N2CCOCC2)CC1 ZINC000334134121 215347661 /nfs/dbraw/zinc/34/76/61/215347661.db2.gz WYZVCEHSVIWMOJ-QGZVFWFLSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334137059 215348049 /nfs/dbraw/zinc/34/80/49/215348049.db2.gz ZFFXHKQQYKZLGA-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000285168395 213295084 /nfs/dbraw/zinc/29/50/84/213295084.db2.gz UUHQKQGEPKLSBO-OAHLLOKOSA-N 2 0 373.501 0.934 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)[N@H+](C)C1 ZINC000285046988 213272372 /nfs/dbraw/zinc/27/23/72/213272372.db2.gz JETRQJDVGQCRNY-HOTGVXAUSA-N 2 0 350.463 0.813 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000284919807 213248421 /nfs/dbraw/zinc/24/84/21/213248421.db2.gz INEOFJVAQYPLSC-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284887460 213240347 /nfs/dbraw/zinc/24/03/47/213240347.db2.gz LPMYGXBKSYTSDU-SFHVURJKSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284741322 213210412 /nfs/dbraw/zinc/21/04/12/213210412.db2.gz BVQXNINEXDWAFM-OAHLLOKOSA-N 2 0 361.490 0.619 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000284411557 213134226 /nfs/dbraw/zinc/13/42/26/213134226.db2.gz BPMKGZPIIFAVGH-UHFFFAOYSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000284386471 213127289 /nfs/dbraw/zinc/12/72/89/213127289.db2.gz HMINGGJPAKTREU-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000283959638 213043250 /nfs/dbraw/zinc/04/32/50/213043250.db2.gz HYGFOCQOVQCMOX-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000283822505 213012500 /nfs/dbraw/zinc/01/25/00/213012500.db2.gz YRSOBBUBKQFQFD-UHFFFAOYSA-N 2 0 352.454 0.832 20 0 FCADRP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000367043047 216067326 /nfs/dbraw/zinc/06/73/26/216067326.db2.gz MWDXQWDWKDDKDR-QGZVFWFLSA-N 2 0 360.568 0.805 20 0 FCADRP [NH3+]C1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)Cc2ccccc2C1 ZINC000367178085 216087873 /nfs/dbraw/zinc/08/78/73/216087873.db2.gz GOMUTOHYWJMRMU-AWEZNQCLSA-N 2 0 356.392 0.435 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262209191 209547003 /nfs/dbraw/zinc/54/70/03/209547003.db2.gz IRLXFWUIMHFVCV-MRXNPFEDSA-N 2 0 363.506 0.513 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367648376 216145741 /nfs/dbraw/zinc/14/57/41/216145741.db2.gz HTPSDNZMSGMYJA-HNNXBMFYSA-N 2 0 359.536 0.782 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000367999773 216190816 /nfs/dbraw/zinc/19/08/16/216190816.db2.gz VYJQCCHNNIKRHF-LZWOXQAQSA-N 2 0 355.479 0.615 20 0 FCADRP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000368198136 216215527 /nfs/dbraw/zinc/21/55/27/216215527.db2.gz KQQXJMDKTWUAGP-BRWVUGGUSA-N 2 0 353.507 0.933 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1=O ZINC000246529960 209388732 /nfs/dbraw/zinc/38/87/32/209388732.db2.gz WNABXEBMODNAIL-ZMSDIMECSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000245386695 209365568 /nfs/dbraw/zinc/36/55/68/209365568.db2.gz PWXLWDXAZJJQKD-ZHALLVOQSA-N 2 0 355.523 0.501 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000246178418 209381834 /nfs/dbraw/zinc/38/18/34/209381834.db2.gz BVUGCQXDOWZMKY-VQHPVUNQSA-N 2 0 350.507 0.953 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000245912083 209375624 /nfs/dbraw/zinc/37/56/24/209375624.db2.gz RJPKYIJSOJVRDG-QZTJIDSGSA-N 2 0 364.490 0.499 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000245706059 209374159 /nfs/dbraw/zinc/37/41/59/209374159.db2.gz OGGAXRPEBCKWHE-QZTJIDSGSA-N 2 0 353.507 0.983 20 0 FCADRP C[NH2+]CCCC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000237188089 209349425 /nfs/dbraw/zinc/34/94/25/209349425.db2.gz XVUDQXCSHVEVJL-UHFFFAOYSA-N 2 0 362.474 0.963 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000236832842 209344309 /nfs/dbraw/zinc/34/43/09/209344309.db2.gz QFZUWASOWOVTJW-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194957585 209329508 /nfs/dbraw/zinc/32/95/08/209329508.db2.gz BXQNSJXYPVFCRV-ZACQAIPSSA-N 2 0 355.527 0.373 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368705332 216285209 /nfs/dbraw/zinc/28/52/09/216285209.db2.gz ZRRATLFROAKYNH-BZUAXINKSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@H](O)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CO ZINC000190812803 209276833 /nfs/dbraw/zinc/27/68/33/209276833.db2.gz LUJNUXMAHRYKLW-IRXDYDNUSA-N 2 0 363.502 0.962 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000189563566 209255916 /nfs/dbraw/zinc/25/59/16/209255916.db2.gz VCOYPTCJWAAUNM-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000189461626 209251576 /nfs/dbraw/zinc/25/15/76/209251576.db2.gz HJPSJCCQVCPMCM-MRXNPFEDSA-N 2 0 354.539 0.752 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122968 209223432 /nfs/dbraw/zinc/22/34/32/209223432.db2.gz QJDILPBXNNZDFA-QFBILLFUSA-N 2 0 354.539 0.909 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000187941477 209221741 /nfs/dbraw/zinc/22/17/41/209221741.db2.gz JPDUPOPJWCKLNA-BHYGNILZSA-N 2 0 360.458 0.699 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000187947313 209221522 /nfs/dbraw/zinc/22/15/22/209221522.db2.gz NXMHSBVAOWJERE-OKZBNKHCSA-N 2 0 374.485 0.377 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000187169142 209206900 /nfs/dbraw/zinc/20/69/00/209206900.db2.gz IEAZMZLKVIRWGZ-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000187076365 209204887 /nfs/dbraw/zinc/20/48/87/209204887.db2.gz YNQPAZRKMGEEIM-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@H](CO)[NH+](Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@H](C)CO)C[C@H](C)O ZINC000276216396 212188733 /nfs/dbraw/zinc/18/87/33/212188733.db2.gz PSPSBSZLYZIIIR-BDXSIMOUSA-N 2 0 368.518 0.814 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275932407 212122214 /nfs/dbraw/zinc/12/22/14/212122214.db2.gz YDJRGHXJLSQEGH-UHFFFAOYSA-N 2 0 350.463 0.160 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000275420717 212024270 /nfs/dbraw/zinc/02/42/70/212024270.db2.gz MMNZEBIZKXPJKT-SFHVURJKSA-N 2 0 350.463 0.158 20 0 FCADRP COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414751957 245318869 /nfs/dbraw/zinc/31/88/69/245318869.db2.gz BCGVGGOKBOKJPQ-MRXNPFEDSA-N 2 0 363.458 0.868 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@@H]21 ZINC000414964588 245339455 /nfs/dbraw/zinc/33/94/55/245339455.db2.gz MLDXJCKCJSZFBK-YOEHRIQHSA-N 2 0 360.458 0.905 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c1)C1CC1 ZINC000415328529 245386443 /nfs/dbraw/zinc/38/64/43/245386443.db2.gz MFZNXMUZZYQHTR-UHFFFAOYSA-N 2 0 373.501 0.283 20 0 FCADRP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1)N1CCOCC1 ZINC000415343559 245392594 /nfs/dbraw/zinc/39/25/94/245392594.db2.gz LQJXKIVDQJHBML-CABCVRRESA-N 2 0 360.458 0.839 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145989 217101608 /nfs/dbraw/zinc/10/16/08/217101608.db2.gz DKOXRYCMKCVJQU-HZPDHXFCSA-N 2 0 353.511 0.175 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145990 217101789 /nfs/dbraw/zinc/10/17/89/217101789.db2.gz DKOXRYCMKCVJQU-JKSUJKDBSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000374753244 217167587 /nfs/dbraw/zinc/16/75/87/217167587.db2.gz ZBWLLJMBUQNJOH-HOTGVXAUSA-N 2 0 351.495 0.465 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783215 217171855 /nfs/dbraw/zinc/17/18/55/217171855.db2.gz WGTHVKYRGKENEY-GOSISDBHSA-N 2 0 351.539 0.251 20 0 FCADRP O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415679276 245462012 /nfs/dbraw/zinc/46/20/12/245462012.db2.gz YBVMBSIXGOMVRP-IYBDPMFKSA-N 2 0 374.510 0.852 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000183088063 209140732 /nfs/dbraw/zinc/14/07/32/209140732.db2.gz BLJBTMDFMAQAFD-KURKYZTESA-N 2 0 351.539 0.996 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182897898 209139276 /nfs/dbraw/zinc/13/92/76/209139276.db2.gz ZQGSLPYNDVMONX-PKOBYXMFSA-N 2 0 364.490 0.365 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417079748 245668833 /nfs/dbraw/zinc/66/88/33/245668833.db2.gz VYBKAVFSLCKGBS-TZMCWYRMSA-N 2 0 363.428 0.606 20 0 FCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000418715153 245819283 /nfs/dbraw/zinc/81/92/83/245819283.db2.gz IGDNGBUVUAZFCI-HOTGVXAUSA-N 2 0 351.495 0.454 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000418943284 245919024 /nfs/dbraw/zinc/91/90/24/245919024.db2.gz BIDJXENBGZRUDL-GOSISDBHSA-N 2 0 374.485 0.631 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419027285 245946013 /nfs/dbraw/zinc/94/60/13/245946013.db2.gz OIUMDPDXZDWRKQ-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419126196 246001461 /nfs/dbraw/zinc/00/14/61/246001461.db2.gz VSFSVKNJUFOJKR-RBSFLKMASA-N 2 0 354.495 0.596 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419128433 246002591 /nfs/dbraw/zinc/00/25/91/246002591.db2.gz WFRGFRNNDCPBFP-HOTGVXAUSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419128331 246002664 /nfs/dbraw/zinc/00/26/64/246002664.db2.gz AFSZGFHYNUYCBJ-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419129915 246004365 /nfs/dbraw/zinc/00/43/65/246004365.db2.gz DSBRYXXMJBMNAK-NUJGCVRESA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419129913 246004530 /nfs/dbraw/zinc/00/45/30/246004530.db2.gz DSBRYXXMJBMNAK-JFIYKMOQSA-N 2 0 358.486 0.976 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129263 246004759 /nfs/dbraw/zinc/00/47/59/246004759.db2.gz XXMWIFSUIJDCDG-SJORKVTESA-N 2 0 369.554 0.206 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129597 246005138 /nfs/dbraw/zinc/00/51/38/246005138.db2.gz YNVNDTLOVHLLLL-CVEARBPZSA-N 2 0 355.527 0.008 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419131322 246006183 /nfs/dbraw/zinc/00/61/83/246006183.db2.gz GQEZLIVTOOMXCX-JFIYKMOQSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419132323 246006651 /nfs/dbraw/zinc/00/66/51/246006651.db2.gz HHQXWRVKOULNRJ-MELADBBJSA-N 2 0 356.511 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1[NH3+] ZINC000419162979 246025683 /nfs/dbraw/zinc/02/56/83/246025683.db2.gz IIWOXAHCGXIPKU-KBAYOESNSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419131825 246007255 /nfs/dbraw/zinc/00/72/55/246007255.db2.gz GYRRTRSCSGXGAO-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419142591 246012962 /nfs/dbraw/zinc/01/29/62/246012962.db2.gz CJAGSLIASCLPTQ-MSOLQXFVSA-N 2 0 374.485 0.434 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169000 246030860 /nfs/dbraw/zinc/03/08/60/246030860.db2.gz TXYUXXUKYUBUKA-ZWKOTPCHSA-N 2 0 374.485 0.262 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419167961 246031195 /nfs/dbraw/zinc/03/11/95/246031195.db2.gz JYNQCAPYGONCDA-RRFJBIMHSA-N 2 0 354.495 0.452 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419170875 246033780 /nfs/dbraw/zinc/03/37/80/246033780.db2.gz ODOSKPQOUODXAN-ZWKOTPCHSA-N 2 0 358.486 0.535 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419176465 246034139 /nfs/dbraw/zinc/03/41/39/246034139.db2.gz ZFQLJXNJRGDOGC-CVEARBPZSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176116 246034477 /nfs/dbraw/zinc/03/44/77/246034477.db2.gz YQHLKAHPFDDWNB-FUHWJXTLSA-N 2 0 358.486 0.521 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419185077 246041627 /nfs/dbraw/zinc/04/16/27/246041627.db2.gz GPICWERAVIBLCR-QGZVFWFLSA-N 2 0 362.449 0.760 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000419215883 246059185 /nfs/dbraw/zinc/05/91/85/246059185.db2.gz OKCZZHRAOSJTGD-IAGOWNOFSA-N 2 0 374.485 0.311 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000419215880 246060308 /nfs/dbraw/zinc/06/03/08/246060308.db2.gz OKCZZHRAOSJTGD-DLBZAZTESA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000419219565 246062415 /nfs/dbraw/zinc/06/24/15/246062415.db2.gz UBFHHLNIPYSCST-OAHLLOKOSA-N 2 0 358.486 0.870 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419219577 246063087 /nfs/dbraw/zinc/06/30/87/246063087.db2.gz UDHGZWNPTSTANJ-KFWWJZLASA-N 2 0 362.474 0.375 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419227202 246065650 /nfs/dbraw/zinc/06/56/50/246065650.db2.gz JYAJEOPLKWAQQZ-SJORKVTESA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419202294 246049717 /nfs/dbraw/zinc/04/97/17/246049717.db2.gz GYZQWBYHTNOKJK-HOTGVXAUSA-N 2 0 362.474 0.629 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419275177 246084773 /nfs/dbraw/zinc/08/47/73/246084773.db2.gz COWQYQMQKQSAND-OLZOCXBDSA-N 2 0 365.453 0.218 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419233220 246070114 /nfs/dbraw/zinc/07/01/14/246070114.db2.gz VWRYLQKFZDMBHY-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000419242967 246074391 /nfs/dbraw/zinc/07/43/91/246074391.db2.gz TWIINSOTMPSHLI-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419242354 246075375 /nfs/dbraw/zinc/07/53/75/246075375.db2.gz HSELRXGOICDHTK-HOTGVXAUSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419247523 246076307 /nfs/dbraw/zinc/07/63/07/246076307.db2.gz NLTLDZUOIHUDMK-INMHGKMJSA-N 2 0 358.486 0.737 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419245282 246076940 /nfs/dbraw/zinc/07/69/40/246076940.db2.gz LLUINUWUKRAHES-HOTGVXAUSA-N 2 0 360.502 0.985 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316473 246095203 /nfs/dbraw/zinc/09/52/03/246095203.db2.gz QGNTYTSQONTTRQ-SFHVURJKSA-N 2 0 360.502 0.469 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419324839 246101471 /nfs/dbraw/zinc/10/14/71/246101471.db2.gz WDHUFCYGLPPZGJ-VNVHMNPZSA-N 2 0 374.460 0.820 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329934 246101867 /nfs/dbraw/zinc/10/18/67/246101867.db2.gz HKHXSDZRZAOWRK-PWUKJLEFSA-N 2 0 374.460 0.678 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419369934 246119605 /nfs/dbraw/zinc/11/96/05/246119605.db2.gz GMZADNPDNCFBTC-HNNXBMFYSA-N 2 0 358.486 0.318 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419369756 246120301 /nfs/dbraw/zinc/12/03/01/246120301.db2.gz GAHYHLRDIPEQGI-HUUCEWRRSA-N 2 0 358.486 0.398 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419367169 246120536 /nfs/dbraw/zinc/12/05/36/246120536.db2.gz CUYOQIXNOVJFHS-HZPDHXFCSA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419370821 246123699 /nfs/dbraw/zinc/12/36/99/246123699.db2.gz KECDTQHSGHWBEZ-QGZVFWFLSA-N 2 0 350.507 0.895 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)N1CCCCC1 ZINC000419358839 246115648 /nfs/dbraw/zinc/11/56/48/246115648.db2.gz QWDFLTVDSNYXHJ-KRWDZBQOSA-N 2 0 374.485 0.674 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419412374 246147335 /nfs/dbraw/zinc/14/73/35/246147335.db2.gz RCKSTUVHEKXMGC-CRAIPNDOSA-N 2 0 358.486 0.760 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419415790 246150140 /nfs/dbraw/zinc/15/01/40/246150140.db2.gz GNVATMQLMRUJFD-QZTJIDSGSA-N 2 0 358.486 0.937 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399231 246134264 /nfs/dbraw/zinc/13/42/64/246134264.db2.gz JHLQWRMAFPYNJO-BMGDILEWSA-N 2 0 358.486 0.867 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419402145 246136341 /nfs/dbraw/zinc/13/63/41/246136341.db2.gz BHOIEANEHWFMJN-MSOLQXFVSA-N 2 0 358.486 0.793 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000419401395 246136876 /nfs/dbraw/zinc/13/68/76/246136876.db2.gz BARWZSRFRXLEFO-YJBOKZPZSA-N 2 0 350.438 0.742 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419404339 246138220 /nfs/dbraw/zinc/13/82/20/246138220.db2.gz FXLZXXKXTFZFEC-IGKNDFSCSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(F)cc1 ZINC000419405948 246138508 /nfs/dbraw/zinc/13/85/08/246138508.db2.gz IFLSHZRHSOKBNC-KRWDZBQOSA-N 2 0 362.449 0.971 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404533 246139862 /nfs/dbraw/zinc/13/98/62/246139862.db2.gz TXRJKYYWXLIKRN-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407751 246140766 /nfs/dbraw/zinc/14/07/66/246140766.db2.gz YZXUMPSJEDBKGU-BQFCYCMXSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419407948 246143071 /nfs/dbraw/zinc/14/30/71/246143071.db2.gz LALSANCJYGWWLP-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419410917 246144304 /nfs/dbraw/zinc/14/43/04/246144304.db2.gz AXDDRZKIIVQDIJ-KRWDZBQOSA-N 2 0 373.501 0.265 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419410556 246144657 /nfs/dbraw/zinc/14/46/57/246144657.db2.gz AMVFPCXKPVAOBI-SFHVURJKSA-N 2 0 356.470 0.976 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419419903 246151702 /nfs/dbraw/zinc/15/17/02/246151702.db2.gz ZOBNBLHIGXGLCZ-MSOLQXFVSA-N 2 0 374.485 0.126 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000419419621 246152164 /nfs/dbraw/zinc/15/21/64/246152164.db2.gz ZIWUIFTVXTYAIV-MRXNPFEDSA-N 2 0 350.438 0.803 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000419502699 246183283 /nfs/dbraw/zinc/18/32/83/246183283.db2.gz BONCTUAZKUDUQW-QGZVFWFLSA-N 2 0 358.486 0.835 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CC1 ZINC000419522460 246190984 /nfs/dbraw/zinc/19/09/84/246190984.db2.gz MMOBWVNVFAYFBO-DLBZAZTESA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419482363 246178640 /nfs/dbraw/zinc/17/86/40/246178640.db2.gz QIUYCISVWYZTGU-BBWFWOEESA-N 2 0 368.522 0.355 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419586765 246212529 /nfs/dbraw/zinc/21/25/29/246212529.db2.gz CZLGEYHQFRPHLT-OAHLLOKOSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537955 246194421 /nfs/dbraw/zinc/19/44/21/246194421.db2.gz WJCLRLMEVVDSBV-WZGPROSRSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419536465 246195172 /nfs/dbraw/zinc/19/51/72/246195172.db2.gz ULDPUTCXNXXOMY-LULLPPNCSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419536466 246195434 /nfs/dbraw/zinc/19/54/34/246195434.db2.gz ULDPUTCXNXXOMY-OWYHZJEWSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419558771 246201909 /nfs/dbraw/zinc/20/19/09/246201909.db2.gz OGUMXSKVGQRJNU-SJWGOKEGSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419659550 246232901 /nfs/dbraw/zinc/23/29/01/246232901.db2.gz AGNIEISSXRYOJL-CABCVRRESA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655129 246233026 /nfs/dbraw/zinc/23/30/26/246233026.db2.gz HFQZYCGBAAQWJK-NJAFHUGGSA-N 2 0 374.485 0.260 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655127 246234238 /nfs/dbraw/zinc/23/42/38/246234238.db2.gz HFQZYCGBAAQWJK-BPQIPLTHSA-N 2 0 374.485 0.260 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419660142 246235391 /nfs/dbraw/zinc/23/53/91/246235391.db2.gz BHBMXWXBCVAVIP-MRXNPFEDSA-N 2 0 361.490 0.904 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419653485 246230273 /nfs/dbraw/zinc/23/02/73/246230273.db2.gz QWMHQNOCULAUTB-GOEBONIOSA-N 2 0 362.474 0.418 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000419715944 246268600 /nfs/dbraw/zinc/26/86/00/246268600.db2.gz PUICGRXWAZATMR-MRXNPFEDSA-N 2 0 368.522 0.724 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419660141 246236081 /nfs/dbraw/zinc/23/60/81/246236081.db2.gz BHBMXWXBCVAVIP-INIZCTEOSA-N 2 0 361.490 0.904 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419670126 246240153 /nfs/dbraw/zinc/24/01/53/246240153.db2.gz FRFBMMFHVQLSAW-PMPSAXMXSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419673128 246240845 /nfs/dbraw/zinc/24/08/45/246240845.db2.gz BPSUSSHUEOVSRY-KRWDZBQOSA-N 2 0 368.547 0.662 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000419689578 246252730 /nfs/dbraw/zinc/25/27/30/246252730.db2.gz JFPSVPBZSRQYMR-HUUCEWRRSA-N 2 0 368.547 0.721 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696600 246253664 /nfs/dbraw/zinc/25/36/64/246253664.db2.gz VNQMPKNAPCULCX-CQSZACIVSA-N 2 0 354.520 0.414 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419695283 246255128 /nfs/dbraw/zinc/25/51/28/246255128.db2.gz KSWZHHWWEIMNET-YESZJQIVSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419701887 246256524 /nfs/dbraw/zinc/25/65/24/246256524.db2.gz BJHHSGLBPDECLS-XLMAVXFVSA-N 2 0 358.486 0.974 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419701910 246257458 /nfs/dbraw/zinc/25/74/58/246257458.db2.gz BLDPJDWPTXOPBM-ATLSCFEFSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000419706313 246261897 /nfs/dbraw/zinc/26/18/97/246261897.db2.gz CTYFCWFUIDZGPY-MAUKXSAKSA-N 2 0 360.502 0.993 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000419705930 246262227 /nfs/dbraw/zinc/26/22/27/246262227.db2.gz BSSNLVKQHSJJMX-QAPCUYQASA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419709951 246263274 /nfs/dbraw/zinc/26/32/74/246263274.db2.gz PSBPWWZLDBZZJS-BPQIPLTHSA-N 2 0 374.485 0.342 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H](C[NH3+])C1 ZINC000419717984 246267507 /nfs/dbraw/zinc/26/75/07/246267507.db2.gz ACWSEFNPTYLZRH-HRCADAONSA-N 2 0 352.479 0.084 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CCCC2)CC1 ZINC000419748565 246282175 /nfs/dbraw/zinc/28/21/75/246282175.db2.gz FUZCQLCXTMBSNZ-HNNXBMFYSA-N 2 0 366.506 0.347 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CCC[NH2+]CC3)CCCC2)CC1 ZINC000419752168 246284165 /nfs/dbraw/zinc/28/41/65/246284165.db2.gz LPVUQMLCLHMTSD-UHFFFAOYSA-N 2 0 366.506 0.348 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757884 246285119 /nfs/dbraw/zinc/28/51/19/246285119.db2.gz JFVMFMGIAQMSJU-DZGCQCFKSA-N 2 0 350.438 0.569 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419759288 246286340 /nfs/dbraw/zinc/28/63/40/246286340.db2.gz XHRJLSOQFIXDBC-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000419755869 246286941 /nfs/dbraw/zinc/28/69/41/246286941.db2.gz FNARFYRWODLRHW-ZBFHGGJFSA-N 2 0 364.465 0.878 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419757789 246287266 /nfs/dbraw/zinc/28/72/66/246287266.db2.gz DCZVMSZNVOINJK-ZWKOTPCHSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000419766915 246290619 /nfs/dbraw/zinc/29/06/19/246290619.db2.gz ZMNFMYZJVPELDO-PBHICJAKSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419769100 246291384 /nfs/dbraw/zinc/29/13/84/246291384.db2.gz DACMQGRNUVCVIX-MJBXVCDLSA-N 2 0 354.495 0.452 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000419808142 246303743 /nfs/dbraw/zinc/30/37/43/246303743.db2.gz GRRZBSJLVILQQO-SJLPKXTDSA-N 2 0 374.485 0.817 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419720054 246270737 /nfs/dbraw/zinc/27/07/37/246270737.db2.gz DIHOLKTUAFKENU-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419826652 246308399 /nfs/dbraw/zinc/30/83/99/246308399.db2.gz SFVAJURQNUWTQM-QGZVFWFLSA-N 2 0 362.474 0.674 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419829358 246309521 /nfs/dbraw/zinc/30/95/21/246309521.db2.gz PRSODWHDZVFDMY-DOTOQJQBSA-N 2 0 367.538 0.010 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000419829774 246311081 /nfs/dbraw/zinc/31/10/81/246311081.db2.gz VJNIQOMRQJLVJS-KRWDZBQOSA-N 2 0 362.474 0.803 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839707 246314860 /nfs/dbraw/zinc/31/48/60/246314860.db2.gz HUOOYWWODJDVEI-HNNXBMFYSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCCC1 ZINC000419840788 246315226 /nfs/dbraw/zinc/31/52/26/246315226.db2.gz ZLUQOIFZKPCVFU-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846086 246317858 /nfs/dbraw/zinc/31/78/58/246317858.db2.gz RALJRHKPVJASSG-QZTJIDSGSA-N 2 0 373.501 0.763 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419846201 246319089 /nfs/dbraw/zinc/31/90/89/246319089.db2.gz PIMUPWVJQZGJRH-UHFFFAOYSA-N 2 0 358.486 0.979 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419849542 246320931 /nfs/dbraw/zinc/32/09/31/246320931.db2.gz YMKSVLTXXFYXIL-UHFFFAOYSA-N 2 0 360.502 0.879 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419867798 246337351 /nfs/dbraw/zinc/33/73/51/246337351.db2.gz QOXNAQGBWMVFHW-SFHVURJKSA-N 2 0 358.486 0.632 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419913544 246366413 /nfs/dbraw/zinc/36/64/13/246366413.db2.gz NBAXRDYLRZIEGD-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419888606 246351721 /nfs/dbraw/zinc/35/17/21/246351721.db2.gz RESOBOCVXYAROV-GOSISDBHSA-N 2 0 370.497 0.979 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419892119 246354611 /nfs/dbraw/zinc/35/46/11/246354611.db2.gz NWMDINNXLZRMQL-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419907811 246363167 /nfs/dbraw/zinc/36/31/67/246363167.db2.gz XUZSSQSUTHHELC-QXSJWSMHSA-N 2 0 354.495 0.106 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419960696 246387955 /nfs/dbraw/zinc/38/79/55/246387955.db2.gz WQTHEHQIKPPRTL-FUHWJXTLSA-N 2 0 360.502 0.939 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000419989181 246405147 /nfs/dbraw/zinc/40/51/47/246405147.db2.gz AMGKGGUAEOQUBP-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420099747 246466714 /nfs/dbraw/zinc/46/67/14/246466714.db2.gz YPZNKKRLMMGZJG-HZPDHXFCSA-N 2 0 365.522 0.001 20 0 FCADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349665 246549043 /nfs/dbraw/zinc/54/90/43/246549043.db2.gz PZYCWCCYOMMSSR-QZTJIDSGSA-N 2 0 360.502 0.858 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423145853 246968792 /nfs/dbraw/zinc/96/87/92/246968792.db2.gz MVUQYNIWMISALV-KBAYOESNSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000423173377 246972599 /nfs/dbraw/zinc/97/25/99/246972599.db2.gz YFTHOGDVEFCGCW-MRXNPFEDSA-N 2 0 364.490 0.936 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000423366954 247012780 /nfs/dbraw/zinc/01/27/80/247012780.db2.gz LZGPKCSFJUIQEV-UHFFFAOYSA-N 2 0 350.463 0.628 20 0 FCADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CC[NH2+]CC1 ZINC000423380591 247015347 /nfs/dbraw/zinc/01/53/47/247015347.db2.gz HENLRVUVWVQMCY-YJNKXOJESA-N 2 0 350.429 0.569 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000423381375 247015388 /nfs/dbraw/zinc/01/53/88/247015388.db2.gz ZOEZTCTVIGJHJF-AWEZNQCLSA-N 2 0 350.463 0.756 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423416069 247022056 /nfs/dbraw/zinc/02/20/56/247022056.db2.gz QAGLXSUBNSOZDM-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423590876 247065559 /nfs/dbraw/zinc/06/55/59/247065559.db2.gz JMCIXHNARFLISM-OKZBNKHCSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423588671 247065936 /nfs/dbraw/zinc/06/59/36/247065936.db2.gz BBMJRKSBBVNGEV-SJLPKXTDSA-N 2 0 358.486 0.787 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423450746 247028994 /nfs/dbraw/zinc/02/89/94/247028994.db2.gz UDYHBBVSHHPGBR-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470244 247032508 /nfs/dbraw/zinc/03/25/08/247032508.db2.gz GRPQXAIVTOIOGE-KSZLIROESA-N 2 0 356.470 0.527 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423471416 247033650 /nfs/dbraw/zinc/03/36/50/247033650.db2.gz WXFDWOSWGYFXNV-WMZOPIPTSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480057 247034550 /nfs/dbraw/zinc/03/45/50/247034550.db2.gz OQQJPMFBNAJNLN-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423500062 247036959 /nfs/dbraw/zinc/03/69/59/247036959.db2.gz KBDRNIUCWZTOLI-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423673655 247105705 /nfs/dbraw/zinc/10/57/05/247105705.db2.gz GDJUVRKSJLWOKZ-LAUBAEHRSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423688433 247111670 /nfs/dbraw/zinc/11/16/70/247111670.db2.gz WUYUNNVHDONQPN-NVXWUHKLSA-N 2 0 367.538 0.199 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423609920 247075790 /nfs/dbraw/zinc/07/57/90/247075790.db2.gz MDVGXVOSKLFZSA-JKSUJKDBSA-N 2 0 364.515 0.706 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423619659 247078353 /nfs/dbraw/zinc/07/83/53/247078353.db2.gz INTFHRCWYTYDNV-HNNXBMFYSA-N 2 0 354.495 0.286 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423632121 247085226 /nfs/dbraw/zinc/08/52/26/247085226.db2.gz NSIZMXRYFPJFFL-FHWLQOOXSA-N 2 0 370.497 0.774 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423644379 247089716 /nfs/dbraw/zinc/08/97/16/247089716.db2.gz DHYRAYCPBGNRRE-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423659554 247098448 /nfs/dbraw/zinc/09/84/48/247098448.db2.gz ZNNCPQHROLFSLW-LSDHHAIUSA-N 2 0 350.463 0.769 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@H](C)C[NH2+]1 ZINC000423659561 247098876 /nfs/dbraw/zinc/09/88/76/247098876.db2.gz ZPJUZNINRDJUID-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423745017 247138143 /nfs/dbraw/zinc/13/81/43/247138143.db2.gz NEYIJVZCJSILHP-NVXWUHKLSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423718947 247124085 /nfs/dbraw/zinc/12/40/85/247124085.db2.gz LZXMYIQTNQDSAM-OXJNMPFZSA-N 2 0 358.486 0.917 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000423723787 247126261 /nfs/dbraw/zinc/12/62/61/247126261.db2.gz HHVMPJJXSQBIFZ-JYJNAYRXSA-N 2 0 359.536 0.732 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000423723878 247126541 /nfs/dbraw/zinc/12/65/41/247126541.db2.gz HSJXFQQSSIJQNY-BZUAXINKSA-N 2 0 359.536 0.719 20 0 FCADRP COCC[C@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]C1 ZINC000423740246 247134025 /nfs/dbraw/zinc/13/40/25/247134025.db2.gz IRXYXUVBISNCHB-PKOBYXMFSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@@H]1C[NH3+] ZINC000423741236 247134049 /nfs/dbraw/zinc/13/40/49/247134049.db2.gz SPQXJEKLNXTKEC-YESZJQIVSA-N 2 0 366.506 0.143 20 0 FCADRP COCC(=O)N(C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016078 247160965 /nfs/dbraw/zinc/16/09/65/247160965.db2.gz BCWFOJGROGGJEV-UHFFFAOYSA-N 2 0 362.474 0.201 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424163863 247173362 /nfs/dbraw/zinc/17/33/62/247173362.db2.gz YFUJMSFAAGLZEA-KBPBESRZSA-N 2 0 362.478 0.194 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000424179987 247175263 /nfs/dbraw/zinc/17/52/63/247175263.db2.gz MTIAHGRQCHQZIC-CVEARBPZSA-N 2 0 360.506 0.729 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000424179988 247175396 /nfs/dbraw/zinc/17/53/96/247175396.db2.gz MTIAHGRQCHQZIC-HOTGVXAUSA-N 2 0 360.506 0.729 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424497298 247241776 /nfs/dbraw/zinc/24/17/76/247241776.db2.gz WSQYZLZNKCCCFD-IPMKNSEASA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424497233 247241898 /nfs/dbraw/zinc/24/18/98/247241898.db2.gz WNTKOLUZOONSEU-UEXGIBASSA-N 2 0 370.497 0.917 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000424451334 247222111 /nfs/dbraw/zinc/22/21/11/247222111.db2.gz BFGGHKVMLTYYLE-HNNXBMFYSA-N 2 0 361.490 0.534 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000424455895 247224767 /nfs/dbraw/zinc/22/47/67/247224767.db2.gz ONHCTKWFAHQHIP-KRWDZBQOSA-N 2 0 362.474 0.601 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000424474455 247230623 /nfs/dbraw/zinc/23/06/23/247230623.db2.gz XLDXWGKJQDVGOV-ROUUACIJSA-N 2 0 374.485 0.886 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424545925 247257134 /nfs/dbraw/zinc/25/71/34/247257134.db2.gz MDXVMCDXCDQNLR-ZWKOTPCHSA-N 2 0 374.485 0.072 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424547955 247259085 /nfs/dbraw/zinc/25/90/85/247259085.db2.gz PNRDRRMEOQLJDN-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425403405 247336201 /nfs/dbraw/zinc/33/62/01/247336201.db2.gz OCNLGXIINVYNQU-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP c1cn([C@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500948 247345633 /nfs/dbraw/zinc/34/56/33/247345633.db2.gz DSELMAYSNOSXOW-ROUUACIJSA-N 2 0 374.493 0.860 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)Cc1ccccc1 ZINC000272321665 211529207 /nfs/dbraw/zinc/52/92/07/211529207.db2.gz LGQJBWIQOBGVGW-IRXDYDNUSA-N 2 0 369.531 0.818 20 0 FCADRP C[C@H](CN1CCOCC1)[NH+](C)C/C=C/C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434708618 247942024 /nfs/dbraw/zinc/94/20/24/247942024.db2.gz DARANLLVUQJDCZ-BGEOSOQGSA-N 2 0 368.566 0.848 20 0 FCADRP CCOC(=O)Cn1nc(C)c(C[NH2+]CC2CC[NH+](CCO)CC2)c1C ZINC000438216756 248078126 /nfs/dbraw/zinc/07/81/26/248078126.db2.gz QCVQOGYVTTZYIG-UHFFFAOYSA-N 2 0 352.479 0.857 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000439202414 248113897 /nfs/dbraw/zinc/11/38/97/248113897.db2.gz FSRKGZRWGNSBTM-HZPDHXFCSA-N 2 0 354.495 0.236 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000440940337 248224508 /nfs/dbraw/zinc/22/45/08/248224508.db2.gz GSEVVJJFERWREZ-KFWWJZLASA-N 2 0 351.495 0.498 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000440976824 248228106 /nfs/dbraw/zinc/22/81/06/248228106.db2.gz CWMXBYZCVPEQEM-IAGOWNOFSA-N 2 0 369.554 0.811 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763216 248296005 /nfs/dbraw/zinc/29/60/05/248296005.db2.gz IHDFQZCUEQKQQQ-IAGOWNOFSA-N 3 0 352.523 0.807 20 0 FCADRP CNc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443522726 248330747 /nfs/dbraw/zinc/33/07/47/248330747.db2.gz MUWDGQXAERAMBN-XGUBFFRZSA-N 2 0 362.526 0.393 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000441991943 248268067 /nfs/dbraw/zinc/26/80/67/248268067.db2.gz NIFMPKXWCNINNU-OAHLLOKOSA-N 2 0 360.458 0.918 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000270923149 211299470 /nfs/dbraw/zinc/29/94/70/211299470.db2.gz DDXSJIOTQFDLDU-LJQANCHMSA-N 2 0 374.529 0.889 20 0 FCADRP NC(=O)c1csc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469862878 250009789 /nfs/dbraw/zinc/00/97/89/250009789.db2.gz BAUVFBUFYSVSRT-WFASDCNBSA-N 2 0 350.488 0.927 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000469995004 250018863 /nfs/dbraw/zinc/01/88/63/250018863.db2.gz ZEHBERWCOTWPJX-ZDUSSCGKSA-N 2 0 353.492 0.267 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470887289 250069840 /nfs/dbraw/zinc/06/98/40/250069840.db2.gz CARDWPCANYSVOG-SJORKVTESA-N 2 0 365.522 0.701 20 0 FCADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000471655855 250113800 /nfs/dbraw/zinc/11/38/00/250113800.db2.gz YYVCRDNVLGRLSP-IAGOWNOFSA-N 2 0 355.527 0.232 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932546 211120500 /nfs/dbraw/zinc/12/05/00/211120500.db2.gz USNIPNIJVFWMDN-CYBMUJFWSA-N 2 0 366.466 0.331 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000481023058 250308604 /nfs/dbraw/zinc/30/86/04/250308604.db2.gz ZZQXVPALAPVUHP-XUWVNRHRSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNc1ncc(Cl)c(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000269762360 211069713 /nfs/dbraw/zinc/06/97/13/211069713.db2.gz FHOYVEWDDBWNLY-HOTGVXAUSA-N 2 0 374.917 0.579 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000482028739 250375340 /nfs/dbraw/zinc/37/53/40/250375340.db2.gz GXYVPUJTEMDUGY-UHFFFAOYSA-N 2 0 367.494 0.239 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+](C)C1 ZINC000413483315 532996031 /nfs/dbraw/zinc/99/60/31/532996031.db2.gz AAPNEKUQEGLKGE-GDBMZVCRSA-N 2 0 352.479 0.750 20 0 FCADRP C[N@H+](CCN1CC[NH+](CCCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000066534439 208017164 /nfs/dbraw/zinc/01/71/64/208017164.db2.gz COBDCWDSOBXSDW-UHFFFAOYSA-N 2 0 373.501 0.678 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000092587470 208146331 /nfs/dbraw/zinc/14/63/31/208146331.db2.gz KMAOINRRTJYRBM-GJZGRUSLSA-N 2 0 364.490 0.405 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176339334 209001496 /nfs/dbraw/zinc/00/14/96/209001496.db2.gz KGHPCKZYVQQGEA-QZTJIDSGSA-N 2 0 367.538 0.234 20 0 FCADRP C[C@H]1C[NH+](CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000177481788 209025867 /nfs/dbraw/zinc/02/58/67/209025867.db2.gz UBCATZFPNYDCEP-GJZGRUSLSA-N 2 0 352.479 0.750 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884701 209063286 /nfs/dbraw/zinc/06/32/86/209063286.db2.gz MTLRMFQQYLWEDL-UXHICEINSA-N 2 0 374.529 0.810 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+](C)C1 ZINC000413253013 533480821 /nfs/dbraw/zinc/48/08/21/533480821.db2.gz TZHMVQBRSGEYOG-CVEARBPZSA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+](C)C1 ZINC000413322770 533482407 /nfs/dbraw/zinc/48/24/07/533482407.db2.gz IMFNGEQRZFAKBV-DLBZAZTESA-N 2 0 366.506 0.997 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410432868 230077692 /nfs/dbraw/zinc/07/76/92/230077692.db2.gz KNTLUIUWQISHCP-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410473336 230092744 /nfs/dbraw/zinc/09/27/44/230092744.db2.gz JFRQFNXKBQMBKB-DOTOQJQBSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410714839 230206236 /nfs/dbraw/zinc/20/62/36/230206236.db2.gz CHCMRWSBOXODJT-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000410772370 230242345 /nfs/dbraw/zinc/24/23/45/230242345.db2.gz DZHBXVGCGDNRSC-IRXDYDNUSA-N 2 0 370.538 0.741 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000480073092 484098553 /nfs/dbraw/zinc/09/85/53/484098553.db2.gz ZFNGNGPSZHRPRJ-SFHVURJKSA-N 2 0 362.478 0.328 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000363770195 488883626 /nfs/dbraw/zinc/88/36/26/488883626.db2.gz AGFSKFHPHYOFOC-MRXNPFEDSA-N 2 0 373.563 0.933 20 0 FCADRP NC(=O)c1c[nH+]ccc1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000302029867 488886564 /nfs/dbraw/zinc/88/65/64/488886564.db2.gz MQGYPQUREMRACL-UHFFFAOYSA-N 2 0 354.414 0.889 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312940340 488895973 /nfs/dbraw/zinc/89/59/73/488895973.db2.gz PNNORQYBMFQVTG-OALUTQOASA-N 2 0 370.497 0.789 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364163018 488929461 /nfs/dbraw/zinc/92/94/61/488929461.db2.gz OITPGDCVDVWOLI-IAGOWNOFSA-N 2 0 356.511 0.849 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCC(=O)N1 ZINC000279234816 488926186 /nfs/dbraw/zinc/92/61/86/488926186.db2.gz NKWHMYMXTHARNE-KRWDZBQOSA-N 2 0 359.474 0.769 20 0 FCADRP CN1CCC(CNC(=O)N2CCCO[C@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000562803852 491190404 /nfs/dbraw/zinc/19/04/04/491190404.db2.gz DZMONGKROLHJAZ-QGZVFWFLSA-N 2 0 367.538 0.696 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000364278337 488942783 /nfs/dbraw/zinc/94/27/83/488942783.db2.gz INXUKEMLXUFTQK-XUVXKRRUSA-N 2 0 374.529 0.937 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000569793449 491191836 /nfs/dbraw/zinc/19/18/36/491191836.db2.gz NLSDYNQBJXJQFE-CABCVRRESA-N 2 0 351.495 0.323 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000562816085 491191992 /nfs/dbraw/zinc/19/19/92/491191992.db2.gz TXLHAYOBNPQLKE-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000562827602 491193821 /nfs/dbraw/zinc/19/38/21/491193821.db2.gz IIGYTPZOUCVUGQ-UHFFFAOYSA-N 2 0 372.391 0.684 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000184417282 488396299 /nfs/dbraw/zinc/39/62/99/488396299.db2.gz IXFUATRVNIDXQK-HNNXBMFYSA-N 2 0 351.499 0.592 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185819440 488402887 /nfs/dbraw/zinc/40/28/87/488402887.db2.gz LENKHAIDIDSOIY-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185864560 488403277 /nfs/dbraw/zinc/40/32/77/488403277.db2.gz XILGWMLIEMMICA-INIZCTEOSA-N 2 0 364.538 0.681 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000077836011 488418778 /nfs/dbraw/zinc/41/87/78/488418778.db2.gz GXFJROZWJKMAHA-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000193421995 488427160 /nfs/dbraw/zinc/42/71/60/488427160.db2.gz OXTPUBTYLPBJHQ-KRWDZBQOSA-N 2 0 367.538 0.962 20 0 FCADRP Cc1nccn1CCC[N@@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193442880 488427540 /nfs/dbraw/zinc/42/75/40/488427540.db2.gz PMGFJELZQZUTBN-UHFFFAOYSA-N 2 0 357.462 0.652 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000562865040 491197492 /nfs/dbraw/zinc/19/74/92/491197492.db2.gz BYXFXUKCFQMLAG-GDBMZVCRSA-N 2 0 366.506 0.345 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000195138549 488435880 /nfs/dbraw/zinc/43/58/80/488435880.db2.gz ZVFBOJRQDLIPKL-KRWDZBQOSA-N 2 0 356.511 0.753 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000081248114 488440308 /nfs/dbraw/zinc/44/03/08/488440308.db2.gz MYROBYFSNOSZJP-HUUCEWRRSA-N 2 0 352.504 0.877 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000081385173 488441858 /nfs/dbraw/zinc/44/18/58/488441858.db2.gz GCZJCXGEWNARDJ-HXUWFJFHSA-N 2 0 373.545 0.869 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)CN3CCNCC3=O)CC2)cc1 ZINC000237286606 488454770 /nfs/dbraw/zinc/45/47/70/488454770.db2.gz LSDDGWULQVPHNL-UHFFFAOYSA-N 2 0 374.485 0.455 20 0 FCADRP C[C@@]1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269053 488484464 /nfs/dbraw/zinc/48/44/64/488484464.db2.gz QVMSKANAOURGAN-YLJYHZDGSA-N 2 0 358.486 1.000 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103236762 488500959 /nfs/dbraw/zinc/50/09/59/488500959.db2.gz ZPVYXXQQUQTOTR-KRWDZBQOSA-N 2 0 365.522 0.668 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000103508570 488502825 /nfs/dbraw/zinc/50/28/25/488502825.db2.gz GNUBGUFGHHUEPM-ROUUACIJSA-N 2 0 369.554 0.813 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000562961477 491203766 /nfs/dbraw/zinc/20/37/66/491203766.db2.gz VVXDNWSQNBMUJW-CQSZACIVSA-N 2 0 352.504 0.836 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000569925070 491203867 /nfs/dbraw/zinc/20/38/67/491203867.db2.gz YXFHTKRBCVVVRV-OAQYLSRUSA-N 2 0 372.513 0.977 20 0 FCADRP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000249420252 488510061 /nfs/dbraw/zinc/51/00/61/488510061.db2.gz HHWXAJVABOWNLQ-KFGODFMUSA-N 2 0 364.534 0.785 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000249849337 488514764 /nfs/dbraw/zinc/51/47/64/488514764.db2.gz PDXRXYCXVVLJGW-IRXDYDNUSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261610338 488526962 /nfs/dbraw/zinc/52/69/62/488526962.db2.gz BDFKXQMTDBREQR-MOPGFXCFSA-N 2 0 360.502 0.947 20 0 FCADRP CCc1nn(C)cc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000271576431 488527901 /nfs/dbraw/zinc/52/79/01/488527901.db2.gz QQBGKORFOJIDHB-UHFFFAOYSA-N 2 0 366.510 0.653 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000111510459 488529787 /nfs/dbraw/zinc/52/97/87/488529787.db2.gz HDFCSAOCESPPNL-QGZVFWFLSA-N 2 0 365.522 0.810 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000111852260 488531970 /nfs/dbraw/zinc/53/19/70/488531970.db2.gz FOETZHKCEPUYKE-UHFFFAOYSA-N 2 0 356.511 0.491 20 0 FCADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747559 488534190 /nfs/dbraw/zinc/53/41/90/488534190.db2.gz KZWYSSGNSZGLEK-KRWDZBQOSA-N 2 0 368.503 0.054 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]([NH3+])C3CCOCC3)ccc2oc1=O ZINC000261766863 488535161 /nfs/dbraw/zinc/53/51/61/488535161.db2.gz FMJOGTRCSLKKKI-INIZCTEOSA-N 2 0 362.430 0.849 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261835653 488537859 /nfs/dbraw/zinc/53/78/59/488537859.db2.gz LEJPNCLQMVXTKP-LSDHHAIUSA-N 2 0 352.504 0.798 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261835650 488538158 /nfs/dbraw/zinc/53/81/58/488538158.db2.gz LEJPNCLQMVXTKP-HUUCEWRRSA-N 2 0 352.504 0.798 20 0 FCADRP C[C@H]1C[NH2+]CCN1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000261915249 488541495 /nfs/dbraw/zinc/54/14/95/488541495.db2.gz ZCLMWDCTCFFODK-INIZCTEOSA-N 2 0 358.486 0.559 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000116752619 488548951 /nfs/dbraw/zinc/54/89/51/488548951.db2.gz DPWXENZEHWLDLU-UHFFFAOYSA-N 2 0 372.473 0.537 20 0 FCADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262123258 488551749 /nfs/dbraw/zinc/55/17/49/488551749.db2.gz MKURNTXYMRSXNZ-KRWDZBQOSA-N 2 0 363.506 0.931 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCO)CCN1CCOCC1 ZINC000119302446 488556688 /nfs/dbraw/zinc/55/66/88/488556688.db2.gz NSHFYJHYOJIHNK-FGTMMUONSA-N 2 0 370.538 0.689 20 0 FCADRP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262299484 488562608 /nfs/dbraw/zinc/56/26/08/488562608.db2.gz XGUSWVSKMIXPDO-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000262341266 488565068 /nfs/dbraw/zinc/56/50/68/488565068.db2.gz HYFBCRQYCVCDEG-IBGZPJMESA-N 2 0 360.502 0.641 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121506300 488568320 /nfs/dbraw/zinc/56/83/20/488568320.db2.gz GDUMEBRBBLUFQE-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262467773 488572177 /nfs/dbraw/zinc/57/21/77/488572177.db2.gz YAKIBWPHLZRQPU-MYCCOQIQSA-N 2 0 350.507 0.986 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1=O ZINC000262508927 488574131 /nfs/dbraw/zinc/57/41/31/488574131.db2.gz MIHMTKQMTQCBLF-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000262674390 488585552 /nfs/dbraw/zinc/58/55/52/488585552.db2.gz SZSYJFQNEXYJAF-KRWDZBQOSA-N 2 0 358.446 0.508 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000262665378 488585610 /nfs/dbraw/zinc/58/56/10/488585610.db2.gz JFACOSCLUNLTMD-INIZCTEOSA-N 2 0 364.494 0.776 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554573293 491210673 /nfs/dbraw/zinc/21/06/73/491210673.db2.gz WWCNDDNNYMQIJW-IRXDYDNUSA-N 2 0 355.527 0.111 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262745570 488589692 /nfs/dbraw/zinc/58/96/92/488589692.db2.gz JUZNNYCMDNQYDH-MRXNPFEDSA-N 2 0 374.489 0.188 20 0 FCADRP C[C@@H](C[S@@](C)=O)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126340103 488608284 /nfs/dbraw/zinc/60/82/84/488608284.db2.gz BRVWVXNRJJEHAY-OWJWWREXSA-N 2 0 352.504 0.819 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316484 488616180 /nfs/dbraw/zinc/61/61/80/488616180.db2.gz VCQKKAVBDYZQEO-HZPDHXFCSA-N 2 0 363.506 0.561 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129830025 488633845 /nfs/dbraw/zinc/63/38/45/488633845.db2.gz SMZOBQHBHLWJAV-JKSUJKDBSA-N 2 0 353.511 0.522 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000130562039 488638484 /nfs/dbraw/zinc/63/84/84/488638484.db2.gz XWECPMWNGOCVMG-UHFFFAOYSA-N 2 0 352.483 0.528 20 0 FCADRP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000131203966 488643711 /nfs/dbraw/zinc/64/37/11/488643711.db2.gz ZRBUSBCXBBTEEJ-WBVHZDCISA-N 2 0 356.511 0.848 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000132984349 488656577 /nfs/dbraw/zinc/65/65/77/488656577.db2.gz QBOMPPFLBZATHK-IBGZPJMESA-N 2 0 362.518 0.839 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)n1 ZINC000134172211 488664935 /nfs/dbraw/zinc/66/49/35/488664935.db2.gz QIJMGFGPAPPKHS-UHFFFAOYSA-N 2 0 350.467 0.375 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435526 488673289 /nfs/dbraw/zinc/67/32/89/488673289.db2.gz CNRSFIJKFXUNOL-QZTJIDSGSA-N 2 0 373.501 0.900 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000136102586 488676264 /nfs/dbraw/zinc/67/62/64/488676264.db2.gz BQBSBQITTAMODY-QGZVFWFLSA-N 2 0 360.506 0.768 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000136827650 488678968 /nfs/dbraw/zinc/67/89/68/488678968.db2.gz ZLLNHCKKAVDSSH-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000274236348 488692885 /nfs/dbraw/zinc/69/28/85/488692885.db2.gz LQDQWPRFPWVIRK-UHFFFAOYSA-N 2 0 368.503 0.807 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264685933 488698364 /nfs/dbraw/zinc/69/83/64/488698364.db2.gz CGRXFQAMVKYGPB-QGZVFWFLSA-N 2 0 363.506 0.672 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000274395535 488704522 /nfs/dbraw/zinc/70/45/22/488704522.db2.gz FFMXATGRXANHCE-OAHLLOKOSA-N 2 0 352.866 0.886 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151938363 488711871 /nfs/dbraw/zinc/71/18/71/488711871.db2.gz XDWXHFFPFIQMIO-HUUCEWRRSA-N 2 0 364.494 0.620 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)o1 ZINC000264829863 488717101 /nfs/dbraw/zinc/71/71/01/488717101.db2.gz ZVRLLEKLBLWZHM-INIZCTEOSA-N 2 0 351.495 0.907 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154025949 488737355 /nfs/dbraw/zinc/73/73/55/488737355.db2.gz JYGVWMMSYWOXLU-OAHLLOKOSA-N 2 0 364.494 0.574 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154063298 488738119 /nfs/dbraw/zinc/73/81/19/488738119.db2.gz SHZHRLIYLZQQEM-CQSZACIVSA-N 2 0 350.467 0.183 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146735 491219914 /nfs/dbraw/zinc/21/99/14/491219914.db2.gz OMYOXJBIEGEEIF-IAGOWNOFSA-N 2 0 368.522 0.740 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)(C)C[NH+](C)C ZINC000155019436 488749939 /nfs/dbraw/zinc/74/99/39/488749939.db2.gz SKCLYUKQHPAPRD-CYBMUJFWSA-N 2 0 352.483 0.476 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)N2CCC([N@H+](C)CCO)CC2)ccn1 ZINC000155307035 488753840 /nfs/dbraw/zinc/75/38/40/488753840.db2.gz QJWJGNGFJSWJAZ-UHFFFAOYSA-N 2 0 350.463 0.551 20 0 FCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137227 488762710 /nfs/dbraw/zinc/76/27/10/488762710.db2.gz WKYHCTRHVDKVPZ-IXDOHACOSA-N 2 0 360.506 0.834 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000167212280 488812099 /nfs/dbraw/zinc/81/20/99/488812099.db2.gz PJYFODOWTVNSSS-ROUUACIJSA-N 2 0 358.486 0.760 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000170886120 488817315 /nfs/dbraw/zinc/81/73/15/488817315.db2.gz HCBPAFDLDFURGZ-UHFFFAOYSA-N 2 0 365.522 0.812 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172789158 488837865 /nfs/dbraw/zinc/83/78/65/488837865.db2.gz UZGQOLACIDISBH-GOSISDBHSA-N 2 0 374.533 0.346 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCOCC1 ZINC000173905942 488846135 /nfs/dbraw/zinc/84/61/35/488846135.db2.gz BWJNGOZRRPYPDC-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000174825789 488851695 /nfs/dbraw/zinc/85/16/95/488851695.db2.gz JYZZDAURRFNUOX-KRWDZBQOSA-N 2 0 369.554 0.264 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178157750 488860105 /nfs/dbraw/zinc/86/01/05/488860105.db2.gz BWRVENNDRTYVRF-QGZVFWFLSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)C[C@H](C)O1 ZINC000364738489 488994861 /nfs/dbraw/zinc/99/48/61/488994861.db2.gz IQVATWJZHGNHHU-GJZGRUSLSA-N 2 0 364.490 0.405 20 0 FCADRP CC(CC[NH+]1CCN2CCOC[C@H]2C1)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000563220906 491228340 /nfs/dbraw/zinc/22/83/40/491228340.db2.gz IBWXOMAZYWKCED-WOJBJXKFSA-N 2 0 366.550 0.436 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280802124 489032915 /nfs/dbraw/zinc/03/29/15/489032915.db2.gz KVDSXAYLYLOCDV-YLJYHZDGSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000330190728 489078451 /nfs/dbraw/zinc/07/84/51/489078451.db2.gz MOPVNKNBQVTDMZ-HNNXBMFYSA-N 2 0 350.467 0.944 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000289586955 489079236 /nfs/dbraw/zinc/07/92/36/489079236.db2.gz VMGINRHWZMIUEX-RTBURBONSA-N 2 0 372.513 0.960 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000330311770 489090145 /nfs/dbraw/zinc/09/01/45/489090145.db2.gz VZOMTNMLGNGIFG-STQMWFEESA-N 2 0 360.462 0.750 20 0 FCADRP CCOC1CC(CNC(=O)NCC[N@H+]2CC=CCC2)(N2CCOCC2)C1 ZINC000366274011 489165474 /nfs/dbraw/zinc/16/54/74/489165474.db2.gz UILUGUPUWQKNKP-UHFFFAOYSA-N 2 0 366.506 0.817 20 0 FCADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000570380003 491237249 /nfs/dbraw/zinc/23/72/49/491237249.db2.gz CYGRAKNDBRRGOZ-UHFFFAOYSA-N 2 0 373.457 0.528 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366449885 489183288 /nfs/dbraw/zinc/18/32/88/489183288.db2.gz HOCBIKXFDZRFDC-IAGOWNOFSA-N 2 0 354.495 0.602 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331380429 489204157 /nfs/dbraw/zinc/20/41/57/489204157.db2.gz GGBNVPKMUGCYPB-YVSFHVDLSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCCCC1 ZINC000331385840 489204743 /nfs/dbraw/zinc/20/47/43/489204743.db2.gz HWZXLFKKHBQWJE-ARFHVFGLSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000331445787 489212511 /nfs/dbraw/zinc/21/25/11/489212511.db2.gz CFYFAJOBPLMXAE-GBJTYRQASA-N 2 0 352.479 0.158 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000331445794 489212759 /nfs/dbraw/zinc/21/27/59/489212759.db2.gz CFYFAJOBPLMXAE-YJNKXOJESA-N 2 0 352.479 0.158 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000332484974 489219369 /nfs/dbraw/zinc/21/93/69/489219369.db2.gz QDWAHPDATFGURT-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000563376796 491240577 /nfs/dbraw/zinc/24/05/77/491240577.db2.gz KJNPWUKXKPAXDJ-UHFFFAOYSA-N 2 0 358.446 0.811 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000283212442 489227814 /nfs/dbraw/zinc/22/78/14/489227814.db2.gz HDJVTYDMMJMSJN-UHFFFAOYSA-N 2 0 374.533 0.719 20 0 FCADRP CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000332776109 489228747 /nfs/dbraw/zinc/22/87/47/489228747.db2.gz FGOWAPIYRGEEAL-CVEARBPZSA-N 2 0 372.535 0.179 20 0 FCADRP C[C@@H]1CN(C(C)(C)CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)C[C@@H](C)O1 ZINC000332947183 489249626 /nfs/dbraw/zinc/24/96/26/489249626.db2.gz VILNHBWNOSQZEO-WCVJEAGWSA-N 2 0 354.495 0.599 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738423 489269301 /nfs/dbraw/zinc/26/93/01/489269301.db2.gz XVWYCBDPMJJMLO-BPQIPLTHSA-N 2 0 366.506 0.744 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863057 489283446 /nfs/dbraw/zinc/28/34/46/489283446.db2.gz QKTDWZGDZMDXIS-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369984153 489299490 /nfs/dbraw/zinc/29/94/90/489299490.db2.gz HCKICMUAUOMRJE-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298204321 489303447 /nfs/dbraw/zinc/30/34/47/489303447.db2.gz XTKZGQYZPUGJQX-GOSISDBHSA-N 2 0 360.502 0.987 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000285899794 489332196 /nfs/dbraw/zinc/33/21/96/489332196.db2.gz JPACKAYCJBZUNE-UHFFFAOYSA-N 2 0 368.453 0.068 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000555287076 491244087 /nfs/dbraw/zinc/24/40/87/491244087.db2.gz OJXRZJPZHNHFHJ-UHFFFAOYSA-N 2 0 371.503 0.896 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000370735795 489394697 /nfs/dbraw/zinc/39/46/97/489394697.db2.gz ZQSDLFIIGYBBPL-PVAVHDDUSA-N 2 0 363.506 0.417 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000563549575 491254351 /nfs/dbraw/zinc/25/43/51/491254351.db2.gz ZYZAUDPNIAEMDY-BZUAXINKSA-N 2 0 351.495 0.450 20 0 FCADRP CC(C)(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(N)=O ZINC000299465975 489444840 /nfs/dbraw/zinc/44/48/40/489444840.db2.gz BJBDKDMINGZUTE-UHFFFAOYSA-N 2 0 362.478 0.404 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000563616987 491258228 /nfs/dbraw/zinc/25/82/28/491258228.db2.gz RMRATHBHRSFWFZ-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000371087985 489449824 /nfs/dbraw/zinc/44/98/24/489449824.db2.gz NHFOVKWLZQWTLI-MRXNPFEDSA-N 2 0 370.457 0.686 20 0 FCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000299567858 489456871 /nfs/dbraw/zinc/45/68/71/489456871.db2.gz OXAWKAVSLHZNMY-UHFFFAOYSA-N 2 0 360.462 0.172 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000563554194 491254975 /nfs/dbraw/zinc/25/49/75/491254975.db2.gz UQUXCZQUJPJYSK-OAHLLOKOSA-N 2 0 369.554 0.221 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423086628 489491947 /nfs/dbraw/zinc/49/19/47/489491947.db2.gz NPUHLKOJIKNXKC-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596245 491257173 /nfs/dbraw/zinc/25/71/73/491257173.db2.gz MOKXNSXQMZLHOT-HOTGVXAUSA-N 2 0 353.511 0.618 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145572 489496625 /nfs/dbraw/zinc/49/66/25/489496625.db2.gz LJEJGBZZWXKXCV-FUHWJXTLSA-N 2 0 358.486 0.930 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423158506 489498197 /nfs/dbraw/zinc/49/81/97/489498197.db2.gz CXPUYIYVLFVMFS-MSOLQXFVSA-N 2 0 373.501 0.844 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423160776 489498247 /nfs/dbraw/zinc/49/82/47/489498247.db2.gz HVGQMIDMYBMYST-ZWKOTPCHSA-N 2 0 373.501 0.702 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000423168700 489499009 /nfs/dbraw/zinc/49/90/09/489499009.db2.gz HXZAJPRDTZGMMD-IBGZPJMESA-N 2 0 362.474 0.690 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)o1 ZINC000423171086 489499757 /nfs/dbraw/zinc/49/97/57/489499757.db2.gz NLLQZUZMQSUWPR-KBPBESRZSA-N 2 0 350.463 0.687 20 0 FCADRP COC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[nH]1 ZINC000414485562 489501013 /nfs/dbraw/zinc/50/10/13/489501013.db2.gz PNXFKQPZYDPQRC-UHFFFAOYSA-N 2 0 350.463 0.688 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[C@H]1[NH3+] ZINC000423202951 489501964 /nfs/dbraw/zinc/50/19/64/489501964.db2.gz LPIWVYQEBGUAFZ-CZUORRHYSA-N 2 0 350.438 0.522 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423199432 489502275 /nfs/dbraw/zinc/50/22/75/489502275.db2.gz BLZOIXOURIJSJZ-ZDUSSCGKSA-N 2 0 354.401 0.415 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423207115 489502780 /nfs/dbraw/zinc/50/27/80/489502780.db2.gz RAYRBAHDLPTTLT-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423210832 489502889 /nfs/dbraw/zinc/50/28/89/489502889.db2.gz XRSJANFPQFCIHF-HNNXBMFYSA-N 2 0 352.866 0.790 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423207524 489502943 /nfs/dbraw/zinc/50/29/43/489502943.db2.gz RTNUGPDRTOPIFG-UXLLHSPISA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423209152 489502959 /nfs/dbraw/zinc/50/29/59/489502959.db2.gz USCLJCBJUNHTKO-UHFFFAOYSA-N 2 0 354.401 0.287 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000423211340 489503466 /nfs/dbraw/zinc/50/34/66/489503466.db2.gz KYBBBKCOJDEJLZ-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000423236174 489506498 /nfs/dbraw/zinc/50/64/98/489506498.db2.gz RRCWZXOCLZSEAF-LJQANCHMSA-N 2 0 372.513 0.961 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000423258894 489508736 /nfs/dbraw/zinc/50/87/36/489508736.db2.gz MZWKIZLBQQIZKI-QGZVFWFLSA-N 2 0 362.474 0.071 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423272826 489509630 /nfs/dbraw/zinc/50/96/30/489509630.db2.gz ZMDPZHJMAQDFCT-QGZVFWFLSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000423305108 489513606 /nfs/dbraw/zinc/51/36/06/489513606.db2.gz BBBXYJREIHTUTF-NUJGCVRESA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415419009 489518891 /nfs/dbraw/zinc/51/88/91/489518891.db2.gz PPOUMAGPSCBRLS-HNNXBMFYSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c(C)c2)CC1 ZINC000415543414 489527987 /nfs/dbraw/zinc/52/79/87/489527987.db2.gz XGINQYNPJAEDJV-KRWDZBQOSA-N 2 0 373.501 0.929 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000425873500 489536612 /nfs/dbraw/zinc/53/66/12/489536612.db2.gz QEQWOKYHBVHUQT-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000415610092 489537141 /nfs/dbraw/zinc/53/71/41/489537141.db2.gz WTZKLELETWBKDL-IBGZPJMESA-N 2 0 360.458 0.778 20 0 FCADRP C[C@H]1CN(C(=O)NCCCCS(C)(=O)=O)CCN1C1CC[NH+](C)CC1 ZINC000425881204 489539286 /nfs/dbraw/zinc/53/92/86/489539286.db2.gz SQERXNAWVJMDPG-HNNXBMFYSA-N 2 0 374.551 0.621 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000425882448 489539498 /nfs/dbraw/zinc/53/94/98/489539498.db2.gz DRKKHESCUXAKQA-LSDHHAIUSA-N 2 0 366.506 0.297 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1C[NH+](C)C ZINC000415703368 489542881 /nfs/dbraw/zinc/54/28/81/489542881.db2.gz DWLQHQSEOHQBKL-GOSISDBHSA-N 2 0 373.501 0.501 20 0 FCADRP [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000415707016 489543794 /nfs/dbraw/zinc/54/37/94/489543794.db2.gz FLUVWLJWKLBVAD-UHFFFAOYSA-N 2 0 370.457 1.573 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415709477 489543957 /nfs/dbraw/zinc/54/39/57/489543957.db2.gz PKKGWVXJSDBRFZ-QGZVFWFLSA-N 2 0 373.501 0.501 20 0 FCADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415765765 489551005 /nfs/dbraw/zinc/55/10/05/489551005.db2.gz VQZWWTBZBWRSKA-PIIMJCKOSA-N 2 0 372.469 0.824 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000415791308 489553371 /nfs/dbraw/zinc/55/33/71/489553371.db2.gz RRKLEAYKKIOKSA-INIZCTEOSA-N 2 0 361.490 0.616 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870552 489562275 /nfs/dbraw/zinc/56/22/75/489562275.db2.gz TVRBGFPMFSMRMG-QAPCUYQASA-N 2 0 374.485 0.962 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000415870895 489562379 /nfs/dbraw/zinc/56/23/79/489562379.db2.gz PQEBMJQKJMIJRX-GJZGRUSLSA-N 2 0 360.458 0.633 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660927 491263551 /nfs/dbraw/zinc/26/35/51/491263551.db2.gz NDXZCHZYOIHOJN-HOCLYGCPSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000563706378 491264251 /nfs/dbraw/zinc/26/42/51/491264251.db2.gz IILXPIOPPHDPDB-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP COc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000426902001 489586048 /nfs/dbraw/zinc/58/60/48/489586048.db2.gz ZLTYHRFQVFMFGM-NMWPEEMBSA-N 2 0 363.510 0.513 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)n2)CC1 ZINC000427313998 489602535 /nfs/dbraw/zinc/60/25/35/489602535.db2.gz LEQCGEKITCHGDL-GOEBONIOSA-N 2 0 374.489 0.641 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563732235 491266130 /nfs/dbraw/zinc/26/61/30/491266130.db2.gz NLTLDZUOIHUDMK-ZOBUZTSGSA-N 2 0 358.486 0.737 20 0 FCADRP CC[NH+](CC)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000416799121 489629891 /nfs/dbraw/zinc/62/98/91/489629891.db2.gz PDRXKEBDBSFHBQ-HOTGVXAUSA-N 2 0 353.511 0.618 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416831353 489631137 /nfs/dbraw/zinc/63/11/37/489631137.db2.gz BBRGEVSVELNMRQ-ZWKOTPCHSA-N 2 0 373.501 0.757 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416848811 489631260 /nfs/dbraw/zinc/63/12/60/489631260.db2.gz WXVOZFXJBMSNNP-IBGZPJMESA-N 2 0 374.533 0.007 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000416937289 489634708 /nfs/dbraw/zinc/63/47/08/489634708.db2.gz CXTVCYXMFKAVRU-BRWVUGGUSA-N 2 0 353.511 0.175 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000416963446 489636954 /nfs/dbraw/zinc/63/69/54/489636954.db2.gz UWTPOKFIDTYYTP-SJORKVTESA-N 2 0 356.511 0.801 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000417006885 489638026 /nfs/dbraw/zinc/63/80/26/489638026.db2.gz GHBUBDBRJKKTGX-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417091714 489640737 /nfs/dbraw/zinc/64/07/37/489640737.db2.gz KMENVEJIOLQTIO-DLBZAZTESA-N 2 0 356.511 0.883 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417252262 489645677 /nfs/dbraw/zinc/64/56/77/489645677.db2.gz JIAOIXBCAVKLIR-VVLHAWIVSA-N 2 0 367.538 0.849 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362058 489649400 /nfs/dbraw/zinc/64/94/00/489649400.db2.gz DIXCMVRKEARCFD-SJORKVTESA-N 3 0 360.506 0.972 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C[C@@H](C)O1 ZINC000457571613 489649842 /nfs/dbraw/zinc/64/98/42/489649842.db2.gz HZHORSRDPYQJCH-ZACQAIPSSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C[C@@H](C)O1 ZINC000457570690 489649957 /nfs/dbraw/zinc/64/99/57/489649957.db2.gz HMVLLZRIKJAVOZ-BRWVUGGUSA-N 2 0 356.511 0.632 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417426412 489651966 /nfs/dbraw/zinc/65/19/66/489651966.db2.gz GNXOTXRDSJOKKM-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000417430839 489652738 /nfs/dbraw/zinc/65/27/38/489652738.db2.gz QDNMNCCYFPATPD-BZUAXINKSA-N 2 0 353.511 0.698 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000417456484 489654914 /nfs/dbraw/zinc/65/49/14/489654914.db2.gz BSLLXZSVFYOTKM-QGZVFWFLSA-N 2 0 361.490 0.871 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000417478288 489655666 /nfs/dbraw/zinc/65/56/66/489655666.db2.gz SAAWLEJVCCVRQK-OAHLLOKOSA-N 2 0 361.490 0.777 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1C ZINC000417472009 489655878 /nfs/dbraw/zinc/65/58/78/489655878.db2.gz HZJGTSBDOGDOIT-CABCVRRESA-N 2 0 361.490 0.870 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417497537 489656446 /nfs/dbraw/zinc/65/64/46/489656446.db2.gz BITMSOWXXBCKJN-INIZCTEOSA-N 2 0 363.510 0.661 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417495533 489656517 /nfs/dbraw/zinc/65/65/17/489656517.db2.gz TWMNQHKCUACILA-SQNIBIBYSA-N 2 0 364.490 0.670 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481884 489656532 /nfs/dbraw/zinc/65/65/32/489656532.db2.gz IEAHMXUNRMZTCE-RDJZCZTQSA-N 2 0 365.522 0.761 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000428621055 489657384 /nfs/dbraw/zinc/65/73/84/489657384.db2.gz KJPXFZFDDNWUQZ-SZMVWBNQSA-N 2 0 358.486 0.993 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000428621045 489657701 /nfs/dbraw/zinc/65/77/01/489657701.db2.gz KJPXFZFDDNWUQZ-JQHSSLGASA-N 2 0 358.486 0.993 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCCC1 ZINC000428636145 489659090 /nfs/dbraw/zinc/65/90/90/489659090.db2.gz YOJINWLTMUKKRC-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417582421 489659052 /nfs/dbraw/zinc/65/90/52/489659052.db2.gz IAUWCVFCIGADGA-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620616 489660103 /nfs/dbraw/zinc/66/01/03/489660103.db2.gz DHSDBSQZVZSYFN-GDBMZVCRSA-N 2 0 351.495 0.370 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000417675851 489660764 /nfs/dbraw/zinc/66/07/64/489660764.db2.gz DBMXEHGYYHEUBL-HUUCEWRRSA-N 2 0 355.527 0.849 20 0 FCADRP Cc1cccc(N2CCC(NC(=O)NCCCN3CC[NH2+]CC3)CC2)n1 ZINC000417703145 489661832 /nfs/dbraw/zinc/66/18/32/489661832.db2.gz QVDNDFBPAMNNSI-UHFFFAOYSA-N 2 0 360.506 0.953 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417750247 489664094 /nfs/dbraw/zinc/66/40/94/489664094.db2.gz KKZPVIIRNDNPOJ-FUHWJXTLSA-N 2 0 355.527 0.328 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000417761487 489664919 /nfs/dbraw/zinc/66/49/19/489664919.db2.gz ZFAUYZSTGIIGFF-UPJWGTAASA-N 2 0 351.417 0.604 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458331831 489677108 /nfs/dbraw/zinc/67/71/08/489677108.db2.gz HMSFPLSDMWJIKZ-QGZVFWFLSA-N 2 0 368.522 0.777 20 0 FCADRP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000418172952 489682548 /nfs/dbraw/zinc/68/25/48/489682548.db2.gz BMAPYGXUVFMDFW-MKXAEBJUSA-N 2 0 365.522 0.839 20 0 FCADRP C[N@H+](CCCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000418270053 489686980 /nfs/dbraw/zinc/68/69/80/489686980.db2.gz RKBUJLYLIZZIMB-CQSZACIVSA-N 2 0 365.444 0.996 20 0 FCADRP [NH3+]C1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000418294549 489689666 /nfs/dbraw/zinc/68/96/66/489689666.db2.gz HYRBXNMYRLVCGJ-GFCCVEGCSA-N 2 0 351.417 0.783 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NCc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000458586650 489690234 /nfs/dbraw/zinc/69/02/34/489690234.db2.gz JGBDIJXQGDFFMK-UHFFFAOYSA-N 2 0 351.499 0.927 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000418300326 489690306 /nfs/dbraw/zinc/69/03/06/489690306.db2.gz VFJDDCPUEPDNEV-JKSUJKDBSA-N 2 0 365.522 0.938 20 0 FCADRP CC(C)C[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC[NH+](C)C ZINC000418352139 489693233 /nfs/dbraw/zinc/69/32/33/489693233.db2.gz SKNBPERJDPBHMY-HOTGVXAUSA-N 2 0 355.527 0.768 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418351647 489693593 /nfs/dbraw/zinc/69/35/93/489693593.db2.gz ZVCVNIMGNOQNTK-SFHVURJKSA-N 2 0 363.506 0.953 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000458735626 489699180 /nfs/dbraw/zinc/69/91/80/489699180.db2.gz TXZGFBUJFZOHEI-MRXNPFEDSA-N 2 0 355.527 0.158 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836180 491272207 /nfs/dbraw/zinc/27/22/07/491272207.db2.gz NDUVYELWSUEIQR-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418515394 489703118 /nfs/dbraw/zinc/70/31/18/489703118.db2.gz YHPPPLDJRZYKHK-DLBZAZTESA-N 2 0 350.463 0.157 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCC1 ZINC000418519513 489704304 /nfs/dbraw/zinc/70/43/04/489704304.db2.gz NRHVHURTXJIJDB-INIZCTEOSA-N 2 0 361.490 0.456 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000418617879 489710848 /nfs/dbraw/zinc/71/08/48/489710848.db2.gz NRADRKACAZSLME-UPJWGTAASA-N 2 0 351.417 0.591 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418623584 489711650 /nfs/dbraw/zinc/71/16/50/489711650.db2.gz OFWPLQSYRSDOMX-INIZCTEOSA-N 2 0 353.511 0.700 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624586 489712553 /nfs/dbraw/zinc/71/25/53/489712553.db2.gz ZCOHZBSJWNCJHP-UONOGXRCSA-N 2 0 365.444 0.806 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627339 489712594 /nfs/dbraw/zinc/71/25/94/489712594.db2.gz AVZIZKZUFHASBD-HKUYNNGSSA-N 3 0 369.554 0.813 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418663132 489716295 /nfs/dbraw/zinc/71/62/95/489716295.db2.gz FLLMDZBHYIGZLJ-WBVHZDCISA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418775393 489725819 /nfs/dbraw/zinc/72/58/19/489725819.db2.gz DUGAZWXMDUZLMH-INIZCTEOSA-N 2 0 361.490 0.168 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418793839 489728190 /nfs/dbraw/zinc/72/81/90/489728190.db2.gz AQXAJOKYYLEXJU-INIZCTEOSA-N 2 0 366.506 0.239 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC[NH+]1CCCCCC1 ZINC000418793679 489728374 /nfs/dbraw/zinc/72/83/74/489728374.db2.gz OWNNJXRMJMMXFZ-YESZJQIVSA-N 2 0 365.522 0.666 20 0 FCADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418804882 489731337 /nfs/dbraw/zinc/73/13/37/489731337.db2.gz ZPBMXNADCCDOBY-DLBZAZTESA-N 2 0 350.463 0.976 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418808161 489732987 /nfs/dbraw/zinc/73/29/87/489732987.db2.gz QQRKEICYGCQZDY-INIZCTEOSA-N 2 0 366.506 0.239 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418811924 489734522 /nfs/dbraw/zinc/73/45/22/489734522.db2.gz WMPOILRBQXCZBG-UHFFFAOYSA-N 2 0 354.495 0.111 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000418811279 489734777 /nfs/dbraw/zinc/73/47/77/489734777.db2.gz VQAJILAARPLCOM-HRCADAONSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000418825967 489741053 /nfs/dbraw/zinc/74/10/53/489741053.db2.gz FNANSSIMOQGCDM-RDBSUJKOSA-N 2 0 350.488 0.820 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000418826270 489741747 /nfs/dbraw/zinc/74/17/47/489741747.db2.gz BCPNWJLDKHBVSH-GOSISDBHSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418827829 489742385 /nfs/dbraw/zinc/74/23/85/489742385.db2.gz HGLBBZACNFELGO-JKSUJKDBSA-N 2 0 366.506 0.333 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000418827763 489742418 /nfs/dbraw/zinc/74/24/18/489742418.db2.gz DYONQXFWFOIWDD-AWEZNQCLSA-N 2 0 350.463 0.976 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000418833357 489745992 /nfs/dbraw/zinc/74/59/92/489745992.db2.gz IHLVSEWEJKWSDT-NVXWUHKLSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000418837885 489747570 /nfs/dbraw/zinc/74/75/70/489747570.db2.gz BIDHSEHQTMHIQA-XJKSGUPXSA-N 2 0 350.463 0.386 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000418837940 489747969 /nfs/dbraw/zinc/74/79/69/489747969.db2.gz UIURFHQHUWWNKB-WMZOPIPTSA-N 2 0 374.485 0.817 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418837230 489748065 /nfs/dbraw/zinc/74/80/65/489748065.db2.gz AAHKVCQLBVTIDH-ZIAGYGMSSA-N 2 0 350.488 0.822 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418839068 489749172 /nfs/dbraw/zinc/74/91/72/489749172.db2.gz CWMISLPTEBTRMI-AWEZNQCLSA-N 2 0 350.488 0.823 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000418838696 489749315 /nfs/dbraw/zinc/74/93/15/489749315.db2.gz CPHXZHLVRNYCJT-MRXNPFEDSA-N 2 0 350.463 0.482 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)([NH+](C)C)C1 ZINC000563900071 491276385 /nfs/dbraw/zinc/27/63/85/491276385.db2.gz ORJHSLRCBUHQQW-LLDVTBCESA-N 2 0 351.495 0.450 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000430602109 489750393 /nfs/dbraw/zinc/75/03/93/489750393.db2.gz GFPLQPTUMQBXLU-STQMWFEESA-N 2 0 364.412 0.574 20 0 FCADRP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430602208 489750532 /nfs/dbraw/zinc/75/05/32/489750532.db2.gz GMQRCSFHVQMNRB-UONOGXRCSA-N 2 0 352.504 0.582 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430598303 489751127 /nfs/dbraw/zinc/75/11/27/489751127.db2.gz CHJIAMDKZBPAPH-ZBFHGGJFSA-N 2 0 360.458 0.413 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430607884 489751803 /nfs/dbraw/zinc/75/18/03/489751803.db2.gz ZRKVWPDKUJFJMV-OAHLLOKOSA-N 2 0 373.457 0.479 20 0 FCADRP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608515 489752722 /nfs/dbraw/zinc/75/27/22/489752722.db2.gz FSKFMFRFNSVPIR-AEFFLSMTSA-N 2 0 360.502 0.829 20 0 FCADRP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613944 489753488 /nfs/dbraw/zinc/75/34/88/489753488.db2.gz XVJGQXQBSNYIBY-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CCN1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000459805149 489754389 /nfs/dbraw/zinc/75/43/89/489754389.db2.gz DCZHKPIKSHFTDI-KDURUIRLSA-N 2 0 370.497 0.741 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474317730 489754754 /nfs/dbraw/zinc/75/47/54/489754754.db2.gz XZOHPSPRUSIQBW-KCXAZCMYSA-N 2 0 366.412 0.395 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000430623527 489756662 /nfs/dbraw/zinc/75/66/62/489756662.db2.gz HBVWXPGFDPBLMB-MRXNPFEDSA-N 2 0 358.486 0.621 20 0 FCADRP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630639 489757466 /nfs/dbraw/zinc/75/74/66/489757466.db2.gz RSUITSAAGGAYJT-AEFFLSMTSA-N 2 0 358.486 0.835 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCCC1 ZINC000418852569 489757593 /nfs/dbraw/zinc/75/75/93/489757593.db2.gz RCZTYHUKUHWTII-GOEBONIOSA-N 2 0 362.474 0.802 20 0 FCADRP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625699 489757662 /nfs/dbraw/zinc/75/76/62/489757662.db2.gz KZAORBJKDZBFTR-LJQANCHMSA-N 2 0 372.513 0.798 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000418852885 489757884 /nfs/dbraw/zinc/75/78/84/489757884.db2.gz RPAVESAJZHCBJW-CRAIPNDOSA-N 2 0 360.502 0.861 20 0 FCADRP COc1cc(OC)c(CNC(=O)C[NH+]2CCC(C[NH3+])CC2)c(OC)c1 ZINC000430637200 489760896 /nfs/dbraw/zinc/76/08/96/489760896.db2.gz KTQJRGBGGXPTON-UHFFFAOYSA-N 2 0 351.447 0.999 20 0 FCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642072 489760973 /nfs/dbraw/zinc/76/09/73/489760973.db2.gz UPCSMQVGOUPZIQ-STQMWFEESA-N 2 0 362.430 0.529 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1 ZINC000418861476 489762877 /nfs/dbraw/zinc/76/28/77/489762877.db2.gz NAALIWCYQQSEKZ-SQNIBIBYSA-N 2 0 358.486 0.788 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418864967 489764362 /nfs/dbraw/zinc/76/43/62/489764362.db2.gz RGHNLYPNWUIDDF-ZIAGYGMSSA-N 2 0 350.488 0.869 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418867946 489765800 /nfs/dbraw/zinc/76/58/00/489765800.db2.gz VHWJTGKJOCLCOA-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418869755 489766796 /nfs/dbraw/zinc/76/67/96/489766796.db2.gz XHQQKBHAXLUZNV-IAGOWNOFSA-N 2 0 362.474 0.073 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871086 489767530 /nfs/dbraw/zinc/76/75/30/489767530.db2.gz ZLHRPUUOXZOWMF-YLJYHZDGSA-N 2 0 358.486 0.883 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)c1 ZINC000418877842 489771025 /nfs/dbraw/zinc/77/10/25/489771025.db2.gz PRFHBWWENODEDE-YOEHRIQHSA-N 2 0 362.474 0.802 20 0 FCADRP C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418876555 489771050 /nfs/dbraw/zinc/77/10/50/489771050.db2.gz GOYBJRSXJQDDHM-BXUZGUMPSA-N 2 0 356.829 0.663 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)c1 ZINC000418877836 489771454 /nfs/dbraw/zinc/77/14/54/489771454.db2.gz PRFHBWWENODEDE-PBHICJAKSA-N 2 0 362.474 0.802 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000418879164 489771945 /nfs/dbraw/zinc/77/19/45/489771945.db2.gz SGQGTSAZGSPAOB-FUHWJXTLSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418879242 489772641 /nfs/dbraw/zinc/77/26/41/489772641.db2.gz NBPPYUVYEWNUJN-QZTJIDSGSA-N 2 0 374.485 0.209 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@H](C)[NH2+]1 ZINC000418884973 489774374 /nfs/dbraw/zinc/77/43/74/489774374.db2.gz XSWSTYOEVVQIRE-DAYGRLMNSA-N 2 0 374.485 0.078 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418883352 489774893 /nfs/dbraw/zinc/77/48/93/489774893.db2.gz UZSHUKHEUVYPOY-ZWKOTPCHSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430932012 489778603 /nfs/dbraw/zinc/77/86/03/489778603.db2.gz DCPQUYLLAPBQBG-BBRMVZONSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894344 489778834 /nfs/dbraw/zinc/77/88/34/489778834.db2.gz BAORBWOZXQDCPU-HUUCEWRRSA-N 2 0 368.522 0.986 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894342 489778975 /nfs/dbraw/zinc/77/89/75/489778975.db2.gz BAORBWOZXQDCPU-CABCVRRESA-N 2 0 368.522 0.986 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000430934663 489779977 /nfs/dbraw/zinc/77/99/77/489779977.db2.gz QFMRHEKIDGMUMG-HNNXBMFYSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430954147 489782497 /nfs/dbraw/zinc/78/24/97/489782497.db2.gz IRZHINALVDAZIK-ZDUSSCGKSA-N 2 0 368.503 0.052 20 0 FCADRP C[NH2+]C[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430971269 489783161 /nfs/dbraw/zinc/78/31/61/489783161.db2.gz MORSWDIROONJBV-KRWDZBQOSA-N 2 0 352.523 0.679 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C[NH3+])C1 ZINC000418906893 489785184 /nfs/dbraw/zinc/78/51/84/489785184.db2.gz WUYCSXLSPOCGSU-HOTGVXAUSA-N 2 0 368.522 0.722 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431014672 489785913 /nfs/dbraw/zinc/78/59/13/489785913.db2.gz KNQORLYNBZLQMT-UHFFFAOYSA-N 2 0 364.494 0.822 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039722 489786334 /nfs/dbraw/zinc/78/63/34/489786334.db2.gz SXYKNNBGPOJNCN-UHFFFAOYSA-N 2 0 358.486 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000418919726 489791910 /nfs/dbraw/zinc/79/19/10/489791910.db2.gz KIBWDGZSALEAID-OAHLLOKOSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)([NH+](C)C)C1 ZINC000418921293 489791937 /nfs/dbraw/zinc/79/19/37/489791937.db2.gz JBTQPLVNSXCDRP-IIDMSEBBSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000563955696 491279325 /nfs/dbraw/zinc/27/93/25/491279325.db2.gz SUXOJADPIGHMAR-ZDUSSCGKSA-N 2 0 358.446 0.833 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418942764 489798309 /nfs/dbraw/zinc/79/83/09/489798309.db2.gz XUUBMPNXYUVSEE-INIZCTEOSA-N 2 0 354.495 0.237 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccco1 ZINC000418941383 489798416 /nfs/dbraw/zinc/79/84/16/489798416.db2.gz KJSMKYCDVSMACB-SOUVJXGZSA-N 2 0 350.463 0.974 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000418945540 489799461 /nfs/dbraw/zinc/79/94/61/489799461.db2.gz PWDFVBQGYALAPB-SOUVJXGZSA-N 2 0 350.463 0.974 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccco1 ZINC000418945569 489799754 /nfs/dbraw/zinc/79/97/54/489799754.db2.gz PXTZFMMRSQEYRA-OWCLPIDISA-N 2 0 362.474 0.847 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298276 489799824 /nfs/dbraw/zinc/79/98/24/489799824.db2.gz TVYYDTYQQSAQBA-WBVHZDCISA-N 2 0 365.522 0.761 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418955402 489803490 /nfs/dbraw/zinc/80/34/90/489803490.db2.gz XXSKUCPKNAIPFZ-BHYGNILZSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[N@@H+]1C ZINC000431459613 489805700 /nfs/dbraw/zinc/80/57/00/489805700.db2.gz OOQGTEJTKQBDNM-CVEARBPZSA-N 2 0 353.511 0.761 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)ccc1F ZINC000418965842 489806491 /nfs/dbraw/zinc/80/64/91/489806491.db2.gz PIVULVRZQGULQJ-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418990973 489812491 /nfs/dbraw/zinc/81/24/91/489812491.db2.gz DDQHUYWIXFZXHZ-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418990974 489812652 /nfs/dbraw/zinc/81/26/52/489812652.db2.gz DDQHUYWIXFZXHZ-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000459995465 489813022 /nfs/dbraw/zinc/81/30/22/489813022.db2.gz OIEMYZBUDFXGDC-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000418999059 489813630 /nfs/dbraw/zinc/81/36/30/489813630.db2.gz NADJZVISBRPTJJ-GVDBMIGSSA-N 2 0 350.507 0.810 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)o1 ZINC000460024043 489821773 /nfs/dbraw/zinc/82/17/73/489821773.db2.gz VBPGRRCWJLBQKM-DOTOQJQBSA-N 2 0 362.474 0.641 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419030656 489825115 /nfs/dbraw/zinc/82/51/15/489825115.db2.gz UHIJLRXFIUZORW-OWCLPIDISA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419029834 489825184 /nfs/dbraw/zinc/82/51/84/489825184.db2.gz SKYJCDKWFGRKCD-BZUAXINKSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419031997 489825932 /nfs/dbraw/zinc/82/59/32/489825932.db2.gz VXBHULWHPPHBRB-RCJHGTSTSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033139 489826421 /nfs/dbraw/zinc/82/64/21/489826421.db2.gz XVBHSRQTLUWIKS-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419032477 489826433 /nfs/dbraw/zinc/82/64/33/489826433.db2.gz WSLLEYCRXWPPQK-TWMKSMIVSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419032006 489826515 /nfs/dbraw/zinc/82/65/15/489826515.db2.gz VXBHULWHPPHBRB-YYAJDYIMSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419034030 489827580 /nfs/dbraw/zinc/82/75/80/489827580.db2.gz YYIVQSXTFXNRSP-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000419035718 489828438 /nfs/dbraw/zinc/82/84/38/489828438.db2.gz ZLKHFBBYHKDNON-FQEVSTJZSA-N 2 0 358.486 0.967 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000419040088 489830559 /nfs/dbraw/zinc/83/05/59/489830559.db2.gz LUHFHKAAAMOBEZ-VQHPVUNQSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419045337 489832063 /nfs/dbraw/zinc/83/20/63/489832063.db2.gz NQIJAPDORXYMFU-BPQIPLTHSA-N 2 0 374.485 0.514 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050702 489835273 /nfs/dbraw/zinc/83/52/73/489835273.db2.gz YUYCRGTWOQHONG-RANZSIQMSA-N 2 0 356.470 0.758 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069860 489844532 /nfs/dbraw/zinc/84/45/32/489844532.db2.gz GQSKGAORGYWPJC-XJKSGUPXSA-N 2 0 350.463 0.658 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419080889 489849431 /nfs/dbraw/zinc/84/94/31/489849431.db2.gz QMWKTKZWIARYBR-YLFCFFPRSA-N 2 0 350.507 0.871 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419091389 489852587 /nfs/dbraw/zinc/85/25/87/489852587.db2.gz GNDKGQKYGVCTBG-AWEZNQCLSA-N 2 0 372.391 0.813 20 0 FCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419103964 489856313 /nfs/dbraw/zinc/85/63/13/489856313.db2.gz GUTUOVXBWCFLNW-LRDDRELGSA-N 2 0 350.438 0.618 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000460234333 489856688 /nfs/dbraw/zinc/85/66/88/489856688.db2.gz WZQYDTVHAUYMGH-IEBWSBKVSA-N 2 0 362.474 0.119 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[NH+](C)C)c1 ZINC000460237823 489857300 /nfs/dbraw/zinc/85/73/00/489857300.db2.gz BLDCOZCKOGZLDC-AEFFLSMTSA-N 2 0 350.463 0.664 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419107478 489858161 /nfs/dbraw/zinc/85/81/61/489858161.db2.gz KOLGBSGGANBABZ-HNNXBMFYSA-N 2 0 352.454 0.993 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419118030 489863739 /nfs/dbraw/zinc/86/37/39/489863739.db2.gz NIMLADNECRCCSR-UKRRQHHQSA-N 2 0 354.495 0.452 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000433115961 489866415 /nfs/dbraw/zinc/86/64/15/489866415.db2.gz KRDFSESKNUTRIZ-MRXNPFEDSA-N 2 0 368.547 0.756 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000433116333 489866503 /nfs/dbraw/zinc/86/65/03/489866503.db2.gz KQQNPMLGDQMFEF-SFHVURJKSA-N 2 0 370.563 0.514 20 0 FCADRP CCCS(=O)(=O)N1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433127188 489867590 /nfs/dbraw/zinc/86/75/90/489867590.db2.gz RKZMGOQYLOXAMP-UHFFFAOYSA-N 2 0 374.551 0.510 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000433155747 489868433 /nfs/dbraw/zinc/86/84/33/489868433.db2.gz GJQUFLUHTJJRBQ-MRXNPFEDSA-N 2 0 366.506 0.287 20 0 FCADRP CCc1nc(CN2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)no1 ZINC000433149172 489868805 /nfs/dbraw/zinc/86/88/05/489868805.db2.gz CUOMJGXJQHYFAG-UHFFFAOYSA-N 2 0 364.494 0.480 20 0 FCADRP C[C@H](CNC(=O)CC1(C(=O)NC[C@@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000494244504 489877028 /nfs/dbraw/zinc/87/70/28/489877028.db2.gz JGISTKQHYIMMSE-HUUCEWRRSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000433463494 489886699 /nfs/dbraw/zinc/88/66/99/489886699.db2.gz REVWWLBXZDHXMG-MRXNPFEDSA-N 2 0 356.511 0.585 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420031976 489887155 /nfs/dbraw/zinc/88/71/55/489887155.db2.gz HOHWXTJHDKRHIW-SOUVJXGZSA-N 2 0 352.479 0.160 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000476445505 489889504 /nfs/dbraw/zinc/88/95/04/489889504.db2.gz BNQMWGCKCGPAOR-UHFFFAOYSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040944 489890707 /nfs/dbraw/zinc/89/07/07/489890707.db2.gz PLYYMMLGWMWBDL-HIFRSBDPSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058180 489896650 /nfs/dbraw/zinc/89/66/50/489896650.db2.gz OATVLXQFAYELSX-YOEHRIQHSA-N 2 0 366.506 0.332 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069220 489902600 /nfs/dbraw/zinc/90/26/00/489902600.db2.gz VNMMYJPCABRDPI-ROUUACIJSA-N 2 0 373.501 0.748 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420073500 489903524 /nfs/dbraw/zinc/90/35/24/489903524.db2.gz GRJXINLQMZXENT-UHFFFAOYSA-N 2 0 356.511 0.437 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000494713826 489907030 /nfs/dbraw/zinc/90/70/30/489907030.db2.gz VLTUEVGZGHTJJR-ROUUACIJSA-N 2 0 352.523 0.772 20 0 FCADRP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000564064103 491286444 /nfs/dbraw/zinc/28/64/44/491286444.db2.gz HTVGNKGIULUYEU-AWEZNQCLSA-N 2 0 370.379 0.970 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091658 489909377 /nfs/dbraw/zinc/90/93/77/489909377.db2.gz NKTSCMSGTGCTQP-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420092239 489909419 /nfs/dbraw/zinc/90/94/19/489909419.db2.gz VRVXASSICUZTAB-CVEARBPZSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420109205 489915752 /nfs/dbraw/zinc/91/57/52/489915752.db2.gz ANDKGSWXDFCCKR-KFWWJZLASA-N 2 0 354.495 0.058 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134704 489925087 /nfs/dbraw/zinc/92/50/87/489925087.db2.gz UXXJJHCBTYJMDN-UONOGXRCSA-N 2 0 352.504 0.895 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000477084722 489940851 /nfs/dbraw/zinc/94/08/51/489940851.db2.gz RFTTWUBJXRZVMG-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000420176086 489941688 /nfs/dbraw/zinc/94/16/88/489941688.db2.gz ZCEDGFVRYZZIIQ-QGZVFWFLSA-N 2 0 368.522 0.309 20 0 FCADRP CCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C[C@@H]1c1ncc[nH]1 ZINC000477103309 489943499 /nfs/dbraw/zinc/94/34/99/489943499.db2.gz VNRSHIRJCVATKW-HUUCEWRRSA-N 2 0 364.494 0.461 20 0 FCADRP O=C(NCc1nccn1CC(F)(F)F)NCC1CC[NH+](CCO)CC1 ZINC000477113417 489944151 /nfs/dbraw/zinc/94/41/51/489944151.db2.gz LAAPBIDYNNQRMY-UHFFFAOYSA-N 2 0 363.384 0.949 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1cccc(F)c1 ZINC000420187395 489945329 /nfs/dbraw/zinc/94/53/29/489945329.db2.gz DHOZNTWGAOFHOY-VBNZEHGJSA-N 2 0 350.438 0.788 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000420192859 489947190 /nfs/dbraw/zinc/94/71/90/489947190.db2.gz INYGPOCKJLTKHF-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477202001 489949806 /nfs/dbraw/zinc/94/98/06/489949806.db2.gz GWKJULNEFHJWIM-VQIMIIECSA-N 2 0 370.538 0.650 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377734741 489950551 /nfs/dbraw/zinc/95/05/51/489950551.db2.gz OQTUPUZOSLQPCD-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP CC(C[NH+](C)[C@H](C)CN1CCOCC1)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713777 489951051 /nfs/dbraw/zinc/95/10/51/489951051.db2.gz KHBXVDOUWYMFOY-WOJBJXKFSA-N 2 0 370.582 0.928 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420203346 489951361 /nfs/dbraw/zinc/95/13/61/489951361.db2.gz ODZLMTSGSAQGAO-WBVHZDCISA-N 2 0 374.485 0.583 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420206294 489952534 /nfs/dbraw/zinc/95/25/34/489952534.db2.gz PYPCUDZKCMVGHO-UONOGXRCSA-N 2 0 352.504 0.882 20 0 FCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420296674 489960919 /nfs/dbraw/zinc/96/09/19/489960919.db2.gz XOUNWKXHKQTEDP-INIZCTEOSA-N 2 0 355.479 0.760 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420323916 489963020 /nfs/dbraw/zinc/96/30/20/489963020.db2.gz UPRAWOZVYNLAMS-FHWLQOOXSA-N 2 0 361.486 0.488 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327216 489963438 /nfs/dbraw/zinc/96/34/38/489963438.db2.gz LBCTZTXXCPPLML-IAGOWNOFSA-N 2 0 358.490 0.447 20 0 FCADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349666 489966582 /nfs/dbraw/zinc/96/65/82/489966582.db2.gz PZYCWCCYOMMSSR-ROUUACIJSA-N 2 0 360.502 0.858 20 0 FCADRP CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H](O)C[NH3+] ZINC000420354498 489967696 /nfs/dbraw/zinc/96/76/96/489967696.db2.gz OLFAQNXKCYFJRH-WMLDXEAASA-N 2 0 368.909 0.845 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000556083850 491293494 /nfs/dbraw/zinc/29/34/94/491293494.db2.gz GGDOITYVCNQBCB-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420367862 489968848 /nfs/dbraw/zinc/96/88/48/489968848.db2.gz AFHVEKPMWCTJFA-WCQYABFASA-N 2 0 366.384 0.593 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374765 489969419 /nfs/dbraw/zinc/96/94/19/489969419.db2.gz SJLIKEXXHAEMSI-MSOLQXFVSA-N 2 0 354.539 0.957 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000556071375 491291903 /nfs/dbraw/zinc/29/19/03/491291903.db2.gz UATWCGYPBULVBD-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420408461 489972435 /nfs/dbraw/zinc/97/24/35/489972435.db2.gz WCHMURRCVGQCSG-HNNXBMFYSA-N 2 0 363.458 0.461 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000420437252 489976166 /nfs/dbraw/zinc/97/61/66/489976166.db2.gz PMRZMDGVUIMLIY-UHFFFAOYSA-N 2 0 357.524 0.730 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000477616743 489977669 /nfs/dbraw/zinc/97/76/69/489977669.db2.gz OTTNVUBIVSUKCH-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477615634 489977802 /nfs/dbraw/zinc/97/78/02/489977802.db2.gz MGSYMNGTUXZSSM-WBVHZDCISA-N 2 0 368.522 0.545 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639122 489980525 /nfs/dbraw/zinc/98/05/25/489980525.db2.gz DRRGFQZJGKTRSW-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccs1 ZINC000564100257 491288692 /nfs/dbraw/zinc/28/86/92/491288692.db2.gz CZNBWRVLDHWWNP-JHJVBQTASA-N 2 0 351.476 0.304 20 0 FCADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1)Cc1ccccc1 ZINC000463109645 490001662 /nfs/dbraw/zinc/00/16/62/490001662.db2.gz WYQAOXKJQVJSSE-RTBURBONSA-N 2 0 361.486 0.706 20 0 FCADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@H]2COC[C@H]2O)CC1)Cc1ccccc1 ZINC000463109644 490001686 /nfs/dbraw/zinc/00/16/86/490001686.db2.gz WYQAOXKJQVJSSE-RBUKOAKNSA-N 2 0 361.486 0.706 20 0 FCADRP CNc1nc(N(C)C[C@@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420643928 490003683 /nfs/dbraw/zinc/00/36/83/490003683.db2.gz XYXOQQBGOBYZJE-GJZGRUSLSA-N 2 0 362.526 0.396 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085948 491293759 /nfs/dbraw/zinc/29/37/59/491293759.db2.gz YSWAXLJQDRGXJJ-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289397 491298212 /nfs/dbraw/zinc/29/82/12/491298212.db2.gz ABOVFFAXAPSWJZ-AZUAARDMSA-N 2 0 361.534 0.886 20 0 FCADRP [NH3+]Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000463491500 490020644 /nfs/dbraw/zinc/02/06/44/490020644.db2.gz GNVIKMVAASVHTQ-UHFFFAOYSA-N 2 0 369.473 0.663 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438713345 490036566 /nfs/dbraw/zinc/03/65/66/490036566.db2.gz RZDSVXRHNXRCFX-OAHLLOKOSA-N 2 0 352.483 0.659 20 0 FCADRP COc1ccc(N2C(=O)C[C@H](N3CC[C@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283891 490039712 /nfs/dbraw/zinc/03/97/12/490039712.db2.gz PMGYKPAJCULSLJ-JSGCOSHPSA-N 2 0 355.398 0.945 20 0 FCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057653 490065924 /nfs/dbraw/zinc/06/59/24/490065924.db2.gz HOGDFECTHQADEB-CHWSQXEVSA-N 2 0 354.476 0.722 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000571267785 491296809 /nfs/dbraw/zinc/29/68/09/491296809.db2.gz GEBUVWQWEZDPDL-KSZLIROESA-N 2 0 368.522 0.881 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000443355402 490070711 /nfs/dbraw/zinc/07/07/11/490070711.db2.gz APUFMHUHSIPVIU-HOCLYGCPSA-N 2 0 370.457 1.537 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000443355398 490070848 /nfs/dbraw/zinc/07/08/48/490070848.db2.gz APUFMHUHSIPVIU-GDBMZVCRSA-N 2 0 370.457 1.537 20 0 FCADRP C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519095 490098603 /nfs/dbraw/zinc/09/86/03/490098603.db2.gz SMFQYRURQGRJGR-KBPBESRZSA-N 2 0 370.519 0.831 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496320624 490112635 /nfs/dbraw/zinc/11/26/35/490112635.db2.gz DKUSQRLVTPOCPQ-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000520216842 490117384 /nfs/dbraw/zinc/11/73/84/490117384.db2.gz MSJUZJJHCBAZJZ-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCOCC1 ZINC000465445875 490121585 /nfs/dbraw/zinc/12/15/85/490121585.db2.gz ZZVCFHJANVEUKP-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP O=C(COC1CC[NH2+]CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390944255 490139281 /nfs/dbraw/zinc/13/92/81/490139281.db2.gz MTWXGPSTKUTMKX-UHFFFAOYSA-N 2 0 360.502 0.689 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206678 491302783 /nfs/dbraw/zinc/30/27/83/491302783.db2.gz MPTMBWRBXMSMNZ-SFHVURJKSA-N 2 0 370.563 0.874 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446051618 490150946 /nfs/dbraw/zinc/15/09/46/490150946.db2.gz IEYWGVOQHHTXOZ-MRXNPFEDSA-N 2 0 361.490 0.091 20 0 FCADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc(Cl)c1OCC(N)=O ZINC000397503376 490166703 /nfs/dbraw/zinc/16/67/03/490166703.db2.gz GUYQZPAUZQMMJW-UHFFFAOYSA-N 2 0 371.865 0.759 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466294432 490175797 /nfs/dbraw/zinc/17/57/97/490175797.db2.gz YYPBOHNAOXPUII-IAGOWNOFSA-N 2 0 365.522 0.890 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000571418783 491306315 /nfs/dbraw/zinc/30/63/15/491306315.db2.gz NNJZABZOMPKREG-OALUTQOASA-N 2 0 359.518 0.848 20 0 FCADRP COCC1(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000571439591 491307842 /nfs/dbraw/zinc/30/78/42/491307842.db2.gz RKFYVSGGFKUVJY-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000447422442 490233587 /nfs/dbraw/zinc/23/35/87/490233587.db2.gz LKCNOHJULRMSGS-UHFFFAOYSA-N 2 0 370.457 1.444 20 0 FCADRP CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[NH+](C)C)cc1 ZINC000521272699 490243502 /nfs/dbraw/zinc/24/35/02/490243502.db2.gz FGGVEGOPALKRSV-SQNIBIBYSA-N 2 0 373.501 0.805 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2nccn2C)CCN1Cc1ccccc1 ZINC000422311414 490249632 /nfs/dbraw/zinc/24/96/32/490249632.db2.gz YJGLFBFOVBXXOL-OAHLLOKOSA-N 2 0 355.442 0.769 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000521412810 490258373 /nfs/dbraw/zinc/25/83/73/490258373.db2.gz APQYNSLJVAPEOA-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H]1C ZINC000498240003 490275803 /nfs/dbraw/zinc/27/58/03/490275803.db2.gz PKVRTIFMLMYJDN-PMPSAXMXSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000483383386 490312079 /nfs/dbraw/zinc/31/20/79/490312079.db2.gz SJJWMACAPQGDLY-YYIAUSFCSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc2c1OCCO2 ZINC000522135058 490344660 /nfs/dbraw/zinc/34/46/60/490344660.db2.gz GQFXTADGYMBMOT-UHFFFAOYSA-N 2 0 357.476 0.572 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC1 ZINC000408472945 490345532 /nfs/dbraw/zinc/34/55/32/490345532.db2.gz XXBKYNOBUUDNDL-KRWDZBQOSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138265 490345783 /nfs/dbraw/zinc/34/57/83/490345783.db2.gz VRDWFWQBUWXCKP-ZWKOTPCHSA-N 2 0 358.486 0.952 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626685 491319495 /nfs/dbraw/zinc/31/94/95/491319495.db2.gz PTIVKCAAKRNEHB-XWTMOSNGSA-N 2 0 356.470 0.683 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000422485673 490351063 /nfs/dbraw/zinc/35/10/63/490351063.db2.gz FJABGSRVZFQFHZ-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000422497012 490361597 /nfs/dbraw/zinc/36/15/97/490361597.db2.gz UYLXPNDSBULAGX-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCn1cccn1 ZINC000522304348 490369184 /nfs/dbraw/zinc/36/91/84/490369184.db2.gz FNUXTQABQALBMO-UHFFFAOYSA-N 2 0 357.462 0.790 20 0 FCADRP Cc1ccccc1C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556620382 491323203 /nfs/dbraw/zinc/32/32/03/491323203.db2.gz YZBGXERTCHOZSN-KRWDZBQOSA-N 2 0 362.518 0.994 20 0 FCADRP C[N@H+](CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccc(F)cc1 ZINC000571658171 491321105 /nfs/dbraw/zinc/32/11/05/491321105.db2.gz WMXDUMHYTSFSKV-SFHVURJKSA-N 2 0 363.481 0.947 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410993828 490378045 /nfs/dbraw/zinc/37/80/45/490378045.db2.gz ZEZSLOLMPTXESF-KSZLIROESA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000571662638 491321795 /nfs/dbraw/zinc/32/17/95/491321795.db2.gz WMJAQQROMGSKAZ-YJBOKZPZSA-N 2 0 370.563 0.921 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000522443035 490379004 /nfs/dbraw/zinc/37/90/04/490379004.db2.gz OGOVVYFMTVYUGA-GOSISDBHSA-N 2 0 369.554 0.360 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CCCC1 ZINC000564717801 491322146 /nfs/dbraw/zinc/32/21/46/491322146.db2.gz ABWQTYGBLHLYQE-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484276760 490406917 /nfs/dbraw/zinc/40/69/17/490406917.db2.gz ANRCETLZYAOWBB-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1F ZINC000411237679 490412312 /nfs/dbraw/zinc/41/23/12/490412312.db2.gz BGCBYFAJGHMKTL-UHFFFAOYSA-N 2 0 366.437 0.915 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000548119506 490424025 /nfs/dbraw/zinc/42/40/25/490424025.db2.gz PAOGHXXXEURJAT-UHFFFAOYSA-N 2 0 371.429 0.559 20 0 FCADRP OCCN1CC[NH+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000509478138 490432183 /nfs/dbraw/zinc/43/21/83/490432183.db2.gz UZJLIGBPLAICEM-UHFFFAOYSA-N 2 0 366.472 0.993 20 0 FCADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422634155 490436757 /nfs/dbraw/zinc/43/67/57/490436757.db2.gz JFSANZSEKYGQAT-FRRDWIJNSA-N 2 0 354.476 0.578 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422638686 490438369 /nfs/dbraw/zinc/43/83/69/490438369.db2.gz QXEDYZSSDLJVTG-RDBSUJKOSA-N 2 0 362.478 0.129 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000509712041 490454151 /nfs/dbraw/zinc/45/41/51/490454151.db2.gz CLQWJKCDRIEQBI-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000509711095 490454576 /nfs/dbraw/zinc/45/45/76/490454576.db2.gz AGNMQQKNEFCZIJ-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CC1CC[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000523471737 490468309 /nfs/dbraw/zinc/46/83/09/490468309.db2.gz WQISHPVUOMOJFS-INIZCTEOSA-N 2 0 353.511 0.747 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422771857 490474236 /nfs/dbraw/zinc/47/42/36/490474236.db2.gz RRTBPLGSLBXFCC-RBUKOAKNSA-N 2 0 360.502 0.687 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909475 490476858 /nfs/dbraw/zinc/47/68/58/490476858.db2.gz SPRCSQBPUANTDF-HIFRSBDPSA-N 2 0 368.503 0.052 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000571811166 491330656 /nfs/dbraw/zinc/33/06/56/491330656.db2.gz QLNNSOFVRNULSO-UHFFFAOYSA-N 2 0 360.502 0.994 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422908315 490493953 /nfs/dbraw/zinc/49/39/53/490493953.db2.gz DDXYFUKADOPVDJ-DLBZAZTESA-N 2 0 362.474 0.361 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000571828265 491331628 /nfs/dbraw/zinc/33/16/28/491331628.db2.gz MXGNHKCHIZURGO-OAHLLOKOSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968251 490507751 /nfs/dbraw/zinc/50/77/51/490507751.db2.gz VYKRBLNMWUJUOE-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC[NH2+]CC1 ZINC000423018691 490520547 /nfs/dbraw/zinc/52/05/47/490520547.db2.gz RTZAJHSDYIPEJZ-KKUMJFAQSA-N 2 0 355.479 0.533 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)CC[NH2+]CC1 ZINC000423018692 490521736 /nfs/dbraw/zinc/52/17/36/490521736.db2.gz RTZAJHSDYIPEJZ-RRFJBIMHSA-N 2 0 355.479 0.533 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000423055158 490531423 /nfs/dbraw/zinc/53/14/23/490531423.db2.gz CUPZLZWZICICRA-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000423059687 490532337 /nfs/dbraw/zinc/53/23/37/490532337.db2.gz MPWKSXOUWMTNNK-IBGZPJMESA-N 2 0 350.507 0.908 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564889495 491333896 /nfs/dbraw/zinc/33/38/96/491333896.db2.gz FIKVDGLINUAYPX-IRXDYDNUSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000564894700 491333907 /nfs/dbraw/zinc/33/39/07/491333907.db2.gz PYXUCWDWBLFVSA-ROUUACIJSA-N 2 0 374.485 0.817 20 0 FCADRP CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423062633 490534210 /nfs/dbraw/zinc/53/42/10/490534210.db2.gz UOLGZDMNSDDYMZ-ZWKOTPCHSA-N 2 0 374.485 0.296 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524423812 490537876 /nfs/dbraw/zinc/53/78/76/490537876.db2.gz GXHNWWDIWBFYQW-GOSISDBHSA-N 2 0 367.538 0.256 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000564897768 491334259 /nfs/dbraw/zinc/33/42/59/491334259.db2.gz ACCWUJJTOAJABI-KWJBXHGQSA-N 2 0 350.507 0.844 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000564897763 491334482 /nfs/dbraw/zinc/33/44/82/491334482.db2.gz ACCWUJJTOAJABI-DLXPNOHRSA-N 2 0 350.507 0.844 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1F ZINC000485564668 490543727 /nfs/dbraw/zinc/54/37/27/490543727.db2.gz CJURLMLFKVWDTO-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000571890227 491335386 /nfs/dbraw/zinc/33/53/86/491335386.db2.gz BYXPGWGGRBUBNN-UHFFFAOYSA-N 2 0 373.457 0.528 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000485827856 490561143 /nfs/dbraw/zinc/56/11/43/490561143.db2.gz JCVNAKHSLZVXHY-HOTGVXAUSA-N 2 0 364.494 0.776 20 0 FCADRP CCOC(=O)C(C)(C)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000556771786 491336028 /nfs/dbraw/zinc/33/60/28/491336028.db2.gz IRNYBLPMQQFKLZ-HNNXBMFYSA-N 2 0 367.490 0.977 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847810 490563602 /nfs/dbraw/zinc/56/36/02/490563602.db2.gz RVFDAVLFSIAIEU-ZIFCJYIRSA-N 2 0 364.534 0.724 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000524851871 490564566 /nfs/dbraw/zinc/56/45/66/490564566.db2.gz KDXCOBKYMDYDNG-SFHVURJKSA-N 2 0 354.539 0.923 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000524925492 490570790 /nfs/dbraw/zinc/57/07/90/490570790.db2.gz YGLQKMVUBVHIPI-MRXNPFEDSA-N 2 0 355.527 0.111 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000564922545 491336972 /nfs/dbraw/zinc/33/69/72/491336972.db2.gz XEDQQCSSKAWJFO-MSOLQXFVSA-N 2 0 358.486 0.535 20 0 FCADRP Cc1nccn1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000511420127 490593213 /nfs/dbraw/zinc/59/32/13/490593213.db2.gz IGCCDNWIPMLKND-HNNXBMFYSA-N 2 0 350.467 0.468 20 0 FCADRP C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000564940950 491338605 /nfs/dbraw/zinc/33/86/05/491338605.db2.gz VIKQYSWHSACKCY-HZPDHXFCSA-N 2 0 366.506 0.394 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374322 490600068 /nfs/dbraw/zinc/60/00/68/490600068.db2.gz BIKWYPDUUMNKNK-HOTGVXAUSA-N 2 0 353.511 0.605 20 0 FCADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686642 490620923 /nfs/dbraw/zinc/62/09/23/490620923.db2.gz XTMKGRAHNAZXQM-INIZCTEOSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501604366 490622726 /nfs/dbraw/zinc/62/27/26/490622726.db2.gz XNEVTQHNCXIZBY-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCC[N@@H+]1C ZINC000501636745 490627901 /nfs/dbraw/zinc/62/79/01/490627901.db2.gz HWZZREILXZNROI-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1[NH+](C)C ZINC000501632855 490628340 /nfs/dbraw/zinc/62/83/40/490628340.db2.gz BJDKZQFWKXDWBJ-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCC[N@@H+]1C ZINC000501636747 490628396 /nfs/dbraw/zinc/62/83/96/490628396.db2.gz HWZZREILXZNROI-PVAVHDDUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)(N2CCOCC2)CC1 ZINC000556849164 491341296 /nfs/dbraw/zinc/34/12/96/491341296.db2.gz JJDICZJUBMWWAM-MRXNPFEDSA-N 2 0 365.522 0.319 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000525815359 490636720 /nfs/dbraw/zinc/63/67/20/490636720.db2.gz NUBPOUCKPXJBRQ-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000486475796 490637357 /nfs/dbraw/zinc/63/73/57/490637357.db2.gz BEQSEQRTOAFOTR-JKSUJKDBSA-N 2 0 353.511 0.555 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)C(C)(C)CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000486659259 490657902 /nfs/dbraw/zinc/65/79/02/490657902.db2.gz RZGAYTOLETZYRY-HOTGVXAUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486721759 490664185 /nfs/dbraw/zinc/66/41/85/490664185.db2.gz ICGGEKWPRKBDBI-VQHPVUNQSA-N 2 0 352.523 0.689 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1F ZINC000564992727 491344325 /nfs/dbraw/zinc/34/43/25/491344325.db2.gz IXTXKBQITUGMGR-UHFFFAOYSA-N 2 0 371.478 0.670 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(=O)OC)cn1 ZINC000502075571 490674649 /nfs/dbraw/zinc/67/46/49/490674649.db2.gz OJTOQGZFRYLRIE-AWEZNQCLSA-N 2 0 363.462 0.751 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)c2)CC1 ZINC000556969082 491345727 /nfs/dbraw/zinc/34/57/27/491345727.db2.gz JWQFZILMNJSRRC-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486989798 490684877 /nfs/dbraw/zinc/68/48/77/490684877.db2.gz NLTWVNNVWFHGSY-LTIDMASMSA-N 2 0 352.523 0.737 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C)C1 ZINC000487048836 490689715 /nfs/dbraw/zinc/68/97/15/490689715.db2.gz QPHDVEYUWUURSG-OVYGPGRDSA-N 2 0 350.507 0.441 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C2([NH3+])CCOCC2)[C@H](c2ccccc2)C1 ZINC000512956542 490705200 /nfs/dbraw/zinc/70/52/00/490705200.db2.gz ZCPZJPNDQTYBRO-SFHVURJKSA-N 2 0 360.502 0.989 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000487444032 490713002 /nfs/dbraw/zinc/71/30/02/490713002.db2.gz SMKDTVWAJPQIAZ-LSDHHAIUSA-N 2 0 363.524 0.473 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557001614 491348849 /nfs/dbraw/zinc/34/88/49/491348849.db2.gz UPIHXHPWQYSVJI-WBVHZDCISA-N 2 0 366.506 0.299 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000502836131 490723954 /nfs/dbraw/zinc/72/39/54/490723954.db2.gz NYKQTJFMCZYTIQ-FZKCQIBNSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H](CNC(=O)COCC(=O)NC[C@H](C)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000538274097 490724093 /nfs/dbraw/zinc/72/40/93/490724093.db2.gz GPFAIQCLLDUSPM-IYBDPMFKSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCOCC1 ZINC000487694734 490725915 /nfs/dbraw/zinc/72/59/15/490725915.db2.gz FFRAUWQQXKMBSF-IRXDYDNUSA-N 2 0 368.522 0.774 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCOCC1 ZINC000487694155 490725964 /nfs/dbraw/zinc/72/59/64/490725964.db2.gz FFRAUWQQXKMBSF-DLBZAZTESA-N 2 0 368.522 0.774 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000557028251 491350082 /nfs/dbraw/zinc/35/00/82/491350082.db2.gz YUUGRYYGTTZZMO-UHFFFAOYSA-N 2 0 370.519 0.502 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478352 490733244 /nfs/dbraw/zinc/73/32/44/490733244.db2.gz XEVMISRSMLQDIE-JKSUJKDBSA-N 2 0 370.538 0.696 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000503253740 490747682 /nfs/dbraw/zinc/74/76/82/490747682.db2.gz USIMJYULAQVZEI-HNNXBMFYSA-N 2 0 362.474 0.976 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC1=O ZINC000538922476 490757474 /nfs/dbraw/zinc/75/74/74/490757474.db2.gz VTDAAIPWGBPDPN-MWDXBVQZSA-N 2 0 350.507 0.870 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000528047520 490773126 /nfs/dbraw/zinc/77/31/26/490773126.db2.gz FXBMBYMCDUWKDX-OAHLLOKOSA-N 2 0 357.524 0.680 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C[C@H]1C ZINC000514816671 490790543 /nfs/dbraw/zinc/79/05/43/490790543.db2.gz LHOYKRGTUSEQKS-TXCZRRACSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156138 491356229 /nfs/dbraw/zinc/35/62/29/491356229.db2.gz IEELOITYNQCWHS-ZFWWWQNUSA-N 2 0 368.503 0.194 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000514951228 490799705 /nfs/dbraw/zinc/79/97/05/490799705.db2.gz LFCROGXRCBFSSE-JKSUJKDBSA-N 2 0 351.495 0.594 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604914 490811644 /nfs/dbraw/zinc/81/16/44/490811644.db2.gz PGQZTFDVLXBULT-WNHJNPCNSA-N 2 0 361.486 0.298 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC000515346946 490820675 /nfs/dbraw/zinc/82/06/75/490820675.db2.gz HCPHOTLHCYCDQX-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CCN1CCOC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540469845 490823945 /nfs/dbraw/zinc/82/39/45/490823945.db2.gz NPIAWUSSLQHIEO-GOSISDBHSA-N 2 0 361.490 0.431 20 0 FCADRP C[C@@H](CNC(=O)CSCC(=O)NC[C@H](C)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000540474473 490824905 /nfs/dbraw/zinc/82/49/05/490824905.db2.gz VTKKXQNOKGELBB-HOTGVXAUSA-N 2 0 370.563 0.921 20 0 FCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498644 490829158 /nfs/dbraw/zinc/82/91/58/490829158.db2.gz AEGQXLCOPCQNHN-XJKSGUPXSA-N 2 0 356.426 0.307 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000515523610 490830295 /nfs/dbraw/zinc/83/02/95/490830295.db2.gz IXLRNVFRLWTRRE-YESZJQIVSA-N 2 0 363.506 0.324 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000515523607 490830379 /nfs/dbraw/zinc/83/03/79/490830379.db2.gz IXLRNVFRLWTRRE-GVDBMIGSSA-N 2 0 363.506 0.324 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000529301881 490849134 /nfs/dbraw/zinc/84/91/34/490849134.db2.gz IYNXEQOKFBLTDI-INIZCTEOSA-N 2 0 350.463 0.805 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000529311954 490849351 /nfs/dbraw/zinc/84/93/51/490849351.db2.gz DSOFPESDLBQHOZ-QGZVFWFLSA-N 2 0 362.474 0.431 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516091230 490850164 /nfs/dbraw/zinc/85/01/64/490850164.db2.gz GCOLOIXNOXOKTA-KBPBESRZSA-N 2 0 361.446 0.533 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC3)c2)C1 ZINC000506114749 490851210 /nfs/dbraw/zinc/85/12/10/490851210.db2.gz UVLXSDALLIJTJW-SFHVURJKSA-N 2 0 373.501 0.889 20 0 FCADRP O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000516173823 490854777 /nfs/dbraw/zinc/85/47/77/490854777.db2.gz ALKCXVPRPQWKQT-ROUUACIJSA-N 2 0 362.518 0.779 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000529339532 490854823 /nfs/dbraw/zinc/85/48/23/490854823.db2.gz LCMNVWRIZMPGKK-PVAVHDDUSA-N 2 0 350.438 0.806 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000529374285 490857103 /nfs/dbraw/zinc/85/71/03/490857103.db2.gz DXPQCXRGWVAICY-KSZLIROESA-N 2 0 362.474 0.157 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000516496066 490865831 /nfs/dbraw/zinc/86/58/31/490865831.db2.gz XZHWROJNCMYGFU-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)ccc21 ZINC000565237007 491363434 /nfs/dbraw/zinc/36/34/34/491363434.db2.gz OTBPFAQCPDULII-HOTGVXAUSA-N 2 0 355.442 0.374 20 0 FCADRP CN1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000557199035 491359054 /nfs/dbraw/zinc/35/90/54/491359054.db2.gz KXKZRUWNESFAJE-MRXNPFEDSA-N 2 0 364.494 0.196 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000542196601 490888781 /nfs/dbraw/zinc/88/87/81/490888781.db2.gz MWXYBBBFKOZVLU-QRQLOZEOSA-N 2 0 361.486 0.706 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241525 490895227 /nfs/dbraw/zinc/89/52/27/490895227.db2.gz QNZSUOZJPONMNJ-MAUKXSAKSA-N 2 0 366.506 0.156 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000530377546 490902229 /nfs/dbraw/zinc/90/22/29/490902229.db2.gz PWOIXZKTNRIQQM-LRDDRELGSA-N 2 0 369.535 0.823 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000542813507 490910295 /nfs/dbraw/zinc/91/02/95/490910295.db2.gz LOYWGCFNZKFQNL-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP COc1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000517827015 490922437 /nfs/dbraw/zinc/92/24/37/490922437.db2.gz QGRBUWXKKXUKBA-UHFFFAOYSA-N 2 0 359.492 0.818 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000517918513 490924332 /nfs/dbraw/zinc/92/43/32/490924332.db2.gz VBJDCIXAHGSBFE-RDJZCZTQSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000517950810 490925661 /nfs/dbraw/zinc/92/56/61/490925661.db2.gz XHKNKZYDDAXIHP-INIZCTEOSA-N 2 0 354.495 0.143 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966318 490926781 /nfs/dbraw/zinc/92/67/81/490926781.db2.gz VXZGMGHKEJAHLC-ROUUACIJSA-N 2 0 371.485 0.388 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCC3(O)CC[NH+](C)CC3)CC2)CC1 ZINC000518212138 490933169 /nfs/dbraw/zinc/93/31/69/490933169.db2.gz CMMCKFILUNJSHJ-UHFFFAOYSA-N 2 0 366.550 0.756 20 0 FCADRP C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062782 490938853 /nfs/dbraw/zinc/93/88/53/490938853.db2.gz GTKTXEGBFROQIG-GHTZIAJQSA-N 2 0 374.529 0.623 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000531118506 490941643 /nfs/dbraw/zinc/94/16/43/490941643.db2.gz LFSDSLXOMHSVJB-UHFFFAOYSA-N 2 0 356.417 0.646 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000565253879 491365889 /nfs/dbraw/zinc/36/58/89/491365889.db2.gz KLTIVABAYLTWBD-QLFBSQMISA-N 2 0 351.495 0.450 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000518540314 490944725 /nfs/dbraw/zinc/94/47/25/490944725.db2.gz GQDNUZSASSXGPL-RYRKJORJSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244189 490947555 /nfs/dbraw/zinc/94/75/55/490947555.db2.gz BGZWVKNHXIVANX-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000518934797 490955292 /nfs/dbraw/zinc/95/52/92/490955292.db2.gz OKNLKLOLHADYJD-CJNGLKHVSA-N 2 0 358.442 0.660 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000531484066 490960269 /nfs/dbraw/zinc/96/02/69/490960269.db2.gz ZCUHRDGRAOWGIN-ZBFHGGJFSA-N 2 0 365.522 0.854 20 0 FCADRP CN(Cc1cccc(F)c1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000519102771 490961354 /nfs/dbraw/zinc/96/13/54/490961354.db2.gz DIHWGMDRFJGILE-UHFFFAOYSA-N 2 0 352.454 0.736 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812239 490975281 /nfs/dbraw/zinc/97/52/81/490975281.db2.gz HNAYWLYXVHRMFA-WBVHZDCISA-N 2 0 363.506 0.419 20 0 FCADRP CN1CCN(c2ncc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cn2)CC1 ZINC000519603750 490978997 /nfs/dbraw/zinc/97/89/97/490978997.db2.gz IMPDNGJDMNPWKZ-MSOLQXFVSA-N 2 0 360.506 0.557 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000531935306 490981263 /nfs/dbraw/zinc/98/12/63/490981263.db2.gz YUEHXSPKPGCUAC-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519643554 490981480 /nfs/dbraw/zinc/98/14/80/490981480.db2.gz SVZGNZYQISZGBI-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519690219 490984189 /nfs/dbraw/zinc/98/41/89/490984189.db2.gz AVUADEVVECMXKM-VQHPVUNQSA-N 2 0 354.495 0.778 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000532390356 490992200 /nfs/dbraw/zinc/99/22/00/490992200.db2.gz LJQUPDKDOMBKEM-UHFFFAOYSA-N 2 0 369.554 0.549 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000553904470 491163130 /nfs/dbraw/zinc/16/31/30/491163130.db2.gz ZHRMWPZXRIAWLE-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554042690 491172828 /nfs/dbraw/zinc/17/28/28/491172828.db2.gz BYWRBUIBDSJSTC-LVQVYYBASA-N 2 0 354.495 0.201 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000565374328 491372909 /nfs/dbraw/zinc/37/29/09/491372909.db2.gz WEKORKWLBURDLA-UHFFFAOYSA-N 2 0 365.522 0.928 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432523 491376185 /nfs/dbraw/zinc/37/61/85/491376185.db2.gz VEVRSUYTOXLICR-RCCFBDPRSA-N 2 0 371.485 0.777 20 0 FCADRP Cc1ccc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000565437291 491377069 /nfs/dbraw/zinc/37/70/69/491377069.db2.gz LLERKXZXHNLJMC-UHFFFAOYSA-N 2 0 362.518 0.914 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270748 493337789 /nfs/dbraw/zinc/33/77/89/493337789.db2.gz PMAMTGCFDQDNGE-DOTOQJQBSA-N 2 0 359.474 0.529 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000557501381 491379238 /nfs/dbraw/zinc/37/92/38/491379238.db2.gz RWNQOKIWQNDKJK-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619456 491382071 /nfs/dbraw/zinc/38/20/71/491382071.db2.gz PSCHLZLJNBNGLB-IRXDYDNUSA-N 2 0 365.522 0.572 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(F)cc1F ZINC000557696775 491391919 /nfs/dbraw/zinc/39/19/19/491391919.db2.gz OZWAPSHIZTYFTL-UHFFFAOYSA-N 2 0 370.444 0.575 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000557768075 491396901 /nfs/dbraw/zinc/39/69/01/491396901.db2.gz DXLBNMUIPSAAJK-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000565765501 491398000 /nfs/dbraw/zinc/39/80/00/491398000.db2.gz SREJLENGMUXOJL-GVDBMIGSSA-N 2 0 353.511 0.039 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000572858848 491398183 /nfs/dbraw/zinc/39/81/83/491398183.db2.gz BBWAOISTUTZGMC-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884342 491399680 /nfs/dbraw/zinc/39/96/80/491399680.db2.gz ARNKFHFNJHJBAR-UPJWGTAASA-N 2 0 364.412 0.715 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572905892 491401167 /nfs/dbraw/zinc/40/11/67/491401167.db2.gz IRMVECHASKMSKB-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000565904057 491406714 /nfs/dbraw/zinc/40/67/14/491406714.db2.gz BEUKKQZCJGJVAU-WBVHZDCISA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099179 491412624 /nfs/dbraw/zinc/41/26/24/491412624.db2.gz QGIBDNBGUOUDRY-KSSFIOAISA-N 2 0 373.501 0.537 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000573118178 491414079 /nfs/dbraw/zinc/41/40/79/491414079.db2.gz PNZCDJWBLHOZBF-MRXNPFEDSA-N 2 0 355.446 0.865 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@@H](C)O1 ZINC000566157422 491421562 /nfs/dbraw/zinc/42/15/62/491421562.db2.gz HATKDFNNFZBLQB-HUUCEWRRSA-N 2 0 364.494 0.588 20 0 FCADRP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC000573239067 491421994 /nfs/dbraw/zinc/42/19/94/491421994.db2.gz RBKCJNFNRWQXGB-XYJFISCASA-N 2 0 350.463 0.118 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000566165961 491422177 /nfs/dbraw/zinc/42/21/77/491422177.db2.gz DAPDCTSPYQGZAJ-ROUUACIJSA-N 2 0 360.502 0.924 20 0 FCADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000573250889 491422387 /nfs/dbraw/zinc/42/23/87/491422387.db2.gz JDDPCJJVHLRCMT-QZTJIDSGSA-N 2 0 374.485 0.817 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573346513 491428269 /nfs/dbraw/zinc/42/82/69/491428269.db2.gz DZEBSDPKAFMWHJ-GVDBMIGSSA-N 2 0 363.506 0.323 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412998 491429435 /nfs/dbraw/zinc/42/94/35/491429435.db2.gz XCVPNTFKUGYEHE-HZPDHXFCSA-N 2 0 350.507 0.847 20 0 FCADRP Cc1cccc(C)c1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000558417301 491429767 /nfs/dbraw/zinc/42/97/67/491429767.db2.gz DLOFJNXNUZFLQE-UHFFFAOYSA-N 2 0 362.518 0.914 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)CCC[NH3+])CCCC2)CC1 ZINC000566511355 491450549 /nfs/dbraw/zinc/45/05/49/491450549.db2.gz PUVQWPNFEJIFGR-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cn1 ZINC000558997290 491451005 /nfs/dbraw/zinc/45/10/05/491451005.db2.gz KLPVYHSEXSIQCR-UHFFFAOYSA-N 2 0 362.478 0.374 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000559011367 491451461 /nfs/dbraw/zinc/45/14/61/491451461.db2.gz RDBGPIXEXGCREG-UHFFFAOYSA-N 2 0 350.438 0.667 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000566562081 491453278 /nfs/dbraw/zinc/45/32/78/491453278.db2.gz DDYXSGNDJCWROV-DZGCQCFKSA-N 2 0 369.462 0.246 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000573924973 491463280 /nfs/dbraw/zinc/46/32/80/491463280.db2.gz ZGSXSBXWKDOYJP-ZWKOTPCHSA-N 2 0 374.485 0.742 20 0 FCADRP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000566732523 491463376 /nfs/dbraw/zinc/46/33/76/491463376.db2.gz ATBXAVQLZLQCJG-IAGOWNOFSA-N 2 0 365.474 0.438 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000559415454 491471056 /nfs/dbraw/zinc/47/10/56/491471056.db2.gz VXKRNHVSCSCWFH-GUDVDZBRSA-N 2 0 372.513 0.828 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439899 491472702 /nfs/dbraw/zinc/47/27/02/491472702.db2.gz HMWJEIHCPRBZML-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000574111992 491475571 /nfs/dbraw/zinc/47/55/71/491475571.db2.gz WEXNGDBTRFKKES-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000567067003 491483816 /nfs/dbraw/zinc/48/38/16/491483816.db2.gz LMPZJNHAJAZXGW-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CC[NH+](CC)CCN(C(=O)c1ccnc(C[NH3+])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000574326952 491489306 /nfs/dbraw/zinc/48/93/06/491489306.db2.gz NAXCLJACZCATAQ-MRXNPFEDSA-N 2 0 368.503 0.511 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000559687369 491491461 /nfs/dbraw/zinc/49/14/61/491491461.db2.gz YERYVIFYXGEUQB-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000559702543 491492780 /nfs/dbraw/zinc/49/27/80/491492780.db2.gz KNFCLXVZBQCPRQ-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390208 493346214 /nfs/dbraw/zinc/34/62/14/493346214.db2.gz NRWPPIXIEHOIDV-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CC[NH+](C)CC1 ZINC000559751831 491496067 /nfs/dbraw/zinc/49/60/67/491496067.db2.gz CJHUVUWMBIYXAZ-KDOFPFPSSA-N 2 0 366.531 0.937 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559781204 491499386 /nfs/dbraw/zinc/49/93/86/491499386.db2.gz WRUUBZNDHPLOEU-YESZJQIVSA-N 2 0 368.522 0.593 20 0 FCADRP CCc1nc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000567349805 491501365 /nfs/dbraw/zinc/50/13/65/491501365.db2.gz XWNAJTAXSZCLLX-UHFFFAOYSA-N 2 0 369.535 0.616 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000567381829 491502828 /nfs/dbraw/zinc/50/28/28/491502828.db2.gz MTFWEHYQPSZVEC-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000559862359 491505683 /nfs/dbraw/zinc/50/56/83/491505683.db2.gz LBEFEVPMQJYJRN-CRAIPNDOSA-N 2 0 370.563 0.730 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000559866874 491506126 /nfs/dbraw/zinc/50/61/26/491506126.db2.gz GDSVPDMMPKYRNT-KSSFIOAISA-N 2 0 370.563 0.777 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868682 491506941 /nfs/dbraw/zinc/50/69/41/491506941.db2.gz TUQQWBPKODZGEE-MAUKXSAKSA-N 2 0 368.547 0.484 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567470096 491507534 /nfs/dbraw/zinc/50/75/34/491507534.db2.gz NTAKFEXWOIWPNB-BZUAXINKSA-N 2 0 365.522 0.757 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCc2occc21 ZINC000559905746 491509772 /nfs/dbraw/zinc/50/97/72/491509772.db2.gz ZMTDNFCGCFLJHU-HNNXBMFYSA-N 2 0 350.463 0.725 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015480 491515071 /nfs/dbraw/zinc/51/50/71/491515071.db2.gz NMYGKZBVPGQOOX-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCC(C)CC1 ZINC000560027501 491516729 /nfs/dbraw/zinc/51/67/29/491516729.db2.gz HLSVQNJPDSFNIF-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000574806685 491521105 /nfs/dbraw/zinc/52/11/05/491521105.db2.gz KZZYOSKDNYBXPE-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583405 493348464 /nfs/dbraw/zinc/34/84/64/493348464.db2.gz LDVDVPTZSDSFGR-SJORKVTESA-N 2 0 368.522 0.329 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000567763494 491527661 /nfs/dbraw/zinc/52/76/61/491527661.db2.gz BOXAXRXIXULQFT-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583034 493348488 /nfs/dbraw/zinc/34/84/88/493348488.db2.gz KMOIVCGKNIUJDM-IRXDYDNUSA-N 2 0 366.506 0.035 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000567835470 491533202 /nfs/dbraw/zinc/53/32/02/491533202.db2.gz RDPSGHDOTPMYCG-CLCXKQKWSA-N 2 0 366.506 0.189 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000567841573 491534147 /nfs/dbraw/zinc/53/41/47/491534147.db2.gz IJSZTSWTFIAVRI-PMPSAXMXSA-N 2 0 351.495 0.319 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000567841571 491534195 /nfs/dbraw/zinc/53/41/95/491534195.db2.gz IJSZTSWTFIAVRI-JYJNAYRXSA-N 2 0 351.495 0.319 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575028337 491534439 /nfs/dbraw/zinc/53/44/39/491534439.db2.gz KHSIVFZCFSODPH-GJZGRUSLSA-N 2 0 352.866 0.879 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000575119133 491540146 /nfs/dbraw/zinc/54/01/46/491540146.db2.gz DZFORHCOKAODRD-TXPKVOOTSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4OCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000568094304 491553030 /nfs/dbraw/zinc/55/30/30/491553030.db2.gz BRPVWZXMCWMRJV-RTBURBONSA-N 2 0 358.486 0.637 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000575824058 491563127 /nfs/dbraw/zinc/56/31/27/491563127.db2.gz BPSFPLKOUIHUIC-UHFFFAOYSA-N 2 0 367.538 0.912 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568286851 491566995 /nfs/dbraw/zinc/56/69/95/491566995.db2.gz IEOYATNYSKGFDT-ZWKOTPCHSA-N 2 0 373.501 0.982 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568294367 491568026 /nfs/dbraw/zinc/56/80/26/491568026.db2.gz PYUCXWJLKZBVEJ-ZWKOTPCHSA-N 2 0 358.486 0.615 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568294365 491568050 /nfs/dbraw/zinc/56/80/50/491568050.db2.gz PYUCXWJLKZBVEJ-QZTJIDSGSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000575916461 491569547 /nfs/dbraw/zinc/56/95/47/491569547.db2.gz IXWSNIYWECGHMI-IIAWOOMASA-N 2 0 356.488 0.650 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000561013805 491570183 /nfs/dbraw/zinc/57/01/83/491570183.db2.gz BGNDOKAKAOLATO-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000561122765 491576556 /nfs/dbraw/zinc/57/65/56/491576556.db2.gz RNWDDSOZELTGJE-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000576037048 491577451 /nfs/dbraw/zinc/57/74/51/491577451.db2.gz IXMKZPQLZQKCIA-INIZCTEOSA-N 2 0 363.510 0.034 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000568507311 491581253 /nfs/dbraw/zinc/58/12/53/491581253.db2.gz QNIKHOYULNKEOJ-ZBFHGGJFSA-N 2 0 363.458 0.893 20 0 FCADRP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561188104 491581271 /nfs/dbraw/zinc/58/12/71/491581271.db2.gz ZKANEOKPGGEVPW-WMZOPIPTSA-N 2 0 373.501 0.628 20 0 FCADRP CC(=O)N1Cc2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2C1 ZINC000568532224 491583789 /nfs/dbraw/zinc/58/37/89/491583789.db2.gz AQSWJDBBYADXPO-UHFFFAOYSA-N 2 0 354.476 0.237 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000584398970 491586230 /nfs/dbraw/zinc/58/62/30/491586230.db2.gz GEUOJVGXSFQQGY-GOSISDBHSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000577112551 491590959 /nfs/dbraw/zinc/59/09/59/491590959.db2.gz XZOHJVPFOXYQAP-MWDXBVQZSA-N 2 0 367.538 0.245 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000577117556 491592160 /nfs/dbraw/zinc/59/21/60/491592160.db2.gz XZOLFSICIKWXMP-IBGZPJMESA-N 2 0 359.518 0.850 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584460158 491593534 /nfs/dbraw/zinc/59/35/34/491593534.db2.gz HYYXZBSXSMFRDE-XHSDSOJGSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000584464505 491594157 /nfs/dbraw/zinc/59/41/57/491594157.db2.gz RRYHDZDTIHKLRK-GDAAHCPNSA-N 2 0 370.497 0.915 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577148684 491595324 /nfs/dbraw/zinc/59/53/24/491595324.db2.gz WZOSYMDENHOSJQ-UHFFFAOYSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000576233923 491595595 /nfs/dbraw/zinc/59/55/95/491595595.db2.gz OBVVVKIIPYKGFA-DJIMGWMZSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)O[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000584495345 491597256 /nfs/dbraw/zinc/59/72/56/491597256.db2.gz COJOTSFWHJJWNB-HOTGVXAUSA-N 2 0 370.538 0.647 20 0 FCADRP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000584495344 491597367 /nfs/dbraw/zinc/59/73/67/491597367.db2.gz COJOTSFWHJJWNB-CVEARBPZSA-N 2 0 370.538 0.647 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000561405896 491605808 /nfs/dbraw/zinc/60/58/08/491605808.db2.gz MSMUAHOBOGGBGS-AWEZNQCLSA-N 2 0 358.446 1.442 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000561424948 491606695 /nfs/dbraw/zinc/60/66/95/491606695.db2.gz GDTDOHOZBXGYKU-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]CC1 ZINC000577268871 491608198 /nfs/dbraw/zinc/60/81/98/491608198.db2.gz MIMCWPZJEYOAKO-UHFFFAOYSA-N 2 0 359.474 0.513 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)c2ccccc2)CC1 ZINC000576513715 491621151 /nfs/dbraw/zinc/62/11/51/491621151.db2.gz CAPAMRLAZTYGQV-RTBURBONSA-N 2 0 360.502 0.860 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000576566175 491625523 /nfs/dbraw/zinc/62/55/23/491625523.db2.gz IHOGUGSPSXQPJP-SFHVURJKSA-N 2 0 362.499 0.824 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000569066162 491631056 /nfs/dbraw/zinc/63/10/56/491631056.db2.gz UDMPCVHVDHKMQB-DTDBQYNISA-N 2 0 358.486 0.915 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000576663927 491633986 /nfs/dbraw/zinc/63/39/86/491633986.db2.gz NYJJQICALXPLQD-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000576663924 491634293 /nfs/dbraw/zinc/63/42/93/491634293.db2.gz NYJJQICALXPLQD-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000577608644 491635643 /nfs/dbraw/zinc/63/56/43/491635643.db2.gz QHVZNVNEMATGMY-ZIAGYGMSSA-N 2 0 367.519 0.006 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687305 491635810 /nfs/dbraw/zinc/63/58/10/491635810.db2.gz NPHFXSAZPSYAQL-DLBZAZTESA-N 2 0 365.522 0.714 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1[NH2+]CCc2ccccc21 ZINC000576730260 491640563 /nfs/dbraw/zinc/64/05/63/491640563.db2.gz OJQNJRUVOFVGQJ-CABCVRRESA-N 2 0 356.392 0.826 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000569251162 491646351 /nfs/dbraw/zinc/64/63/51/491646351.db2.gz JPCGDCXKOSKXMA-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000576843004 491649881 /nfs/dbraw/zinc/64/98/81/491649881.db2.gz LLKHHMHRSHHBEQ-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000576844014 491649933 /nfs/dbraw/zinc/64/99/33/491649933.db2.gz MCUDPVYMUQMGFV-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(NCc1cccc(-n2ccnc2)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000562156074 491655880 /nfs/dbraw/zinc/65/58/80/491655880.db2.gz HLIQNAZXYBMYFZ-KRWDZBQOSA-N 2 0 353.426 0.795 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000577851420 491656528 /nfs/dbraw/zinc/65/65/28/491656528.db2.gz BICWEEYFGOQTRY-HZPDHXFCSA-N 2 0 371.547 0.734 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440175 491661250 /nfs/dbraw/zinc/66/12/50/491661250.db2.gz QOWVYRUJQGHTIJ-INMHGKMJSA-N 2 0 363.506 0.323 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)c2)CC1 ZINC000577018342 491665168 /nfs/dbraw/zinc/66/51/68/491665168.db2.gz KXZXSJACAGFNJQ-OAQYLSRUSA-N 2 0 372.513 0.621 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000578095638 491669937 /nfs/dbraw/zinc/66/99/37/491669937.db2.gz YAMIZPNQHXKQHX-IRXDYDNUSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251753 491673327 /nfs/dbraw/zinc/67/33/27/491673327.db2.gz ODUYYNJZTRMZRL-CVEARBPZSA-N 2 0 366.506 0.204 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1c1cccc(F)c1 ZINC000578433969 491677110 /nfs/dbraw/zinc/67/71/10/491677110.db2.gz RWYUYMDKOGHLDM-FGTMMUONSA-N 2 0 374.460 0.776 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510059 491678758 /nfs/dbraw/zinc/67/87/58/491678758.db2.gz YEELJCDLLXGSAT-VYDXJSESSA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000578731751 491683041 /nfs/dbraw/zinc/68/30/41/491683041.db2.gz YTKVGAMZQXJPJW-CALCHBBNSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763314 491683798 /nfs/dbraw/zinc/68/37/98/491683798.db2.gz TWZGQTXFVIAVRS-QZTJIDSGSA-N 2 0 361.486 0.911 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000578882554 491686467 /nfs/dbraw/zinc/68/64/67/491686467.db2.gz KQSQGVHOYIZNTM-UHFFFAOYSA-N 2 0 352.435 0.873 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000578996741 491688671 /nfs/dbraw/zinc/68/86/71/491688671.db2.gz RWRNLBJAJUMISS-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000579138013 491691885 /nfs/dbraw/zinc/69/18/85/491691885.db2.gz LKPLIZRRWLKVAV-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210959 491693163 /nfs/dbraw/zinc/69/31/63/491693163.db2.gz ALFJKYFWFKXLOO-RBUKOAKNSA-N 2 0 359.518 0.848 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000579228127 491693559 /nfs/dbraw/zinc/69/35/59/491693559.db2.gz YKQQZAFBVIWPAK-OAHLLOKOSA-N 2 0 361.446 0.384 20 0 FCADRP C[N@@H+]1CCCN(CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356735 /nfs/dbraw/zinc/35/67/35/493356735.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 0 374.529 0.767 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cn1 ZINC000579589099 491701034 /nfs/dbraw/zinc/70/10/34/491701034.db2.gz WJBWKPLTDGAUKC-KBXCAEBGSA-N 2 0 362.478 0.279 20 0 FCADRP [NH3+]CCC1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000579602493 491701467 /nfs/dbraw/zinc/70/14/67/491701467.db2.gz GGQQSJLMSCRMFW-ZDUSSCGKSA-N 2 0 351.417 0.593 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579700054 491703114 /nfs/dbraw/zinc/70/31/14/491703114.db2.gz LOPWFJALXSTXKN-BVIKNXMNSA-N 2 0 360.502 0.530 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000579935646 491709948 /nfs/dbraw/zinc/70/99/48/491709948.db2.gz MJKOIEBNRPLCRS-SFHVURJKSA-N 2 0 354.495 0.509 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000579952823 491710763 /nfs/dbraw/zinc/71/07/63/491710763.db2.gz QWDONJWAUWJYGQ-LSDHHAIUSA-N 2 0 364.490 0.827 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000579956651 491710915 /nfs/dbraw/zinc/71/09/15/491710915.db2.gz PNOQBWLGDGCJFY-GOSISDBHSA-N 2 0 374.485 0.698 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)O1 ZINC000584836999 491716354 /nfs/dbraw/zinc/71/63/54/491716354.db2.gz YAJYFBYGBDQQDF-SJORKVTESA-N 2 0 366.506 0.333 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000580212619 491722051 /nfs/dbraw/zinc/72/20/51/491722051.db2.gz SEDYNSJFNCACKR-RWMBFGLXSA-N 2 0 354.476 0.781 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580414415 491730337 /nfs/dbraw/zinc/73/03/37/491730337.db2.gz SSQMIMDIULFRAF-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccsc1 ZINC000580785769 491746036 /nfs/dbraw/zinc/74/60/36/491746036.db2.gz OBXPBCBDIXPRHX-HZSPNIEDSA-N 2 0 351.476 0.304 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000580794481 491746342 /nfs/dbraw/zinc/74/63/42/491746342.db2.gz IBNGFQSAKZAKCH-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000580882530 491750132 /nfs/dbraw/zinc/75/01/32/491750132.db2.gz QSAQSHOIUWKMKM-HNNXBMFYSA-N 2 0 359.474 0.164 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000581146424 491761318 /nfs/dbraw/zinc/76/13/18/491761318.db2.gz SOXMWAHHSFHDNY-INIZCTEOSA-N 2 0 368.522 0.140 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccco1 ZINC000581181292 491762609 /nfs/dbraw/zinc/76/26/09/491762609.db2.gz KULRXRUIEREEBE-HNNXBMFYSA-N 2 0 350.463 0.895 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000581259390 491766129 /nfs/dbraw/zinc/76/61/29/491766129.db2.gz ICMGKLLUWDDOLW-GOSISDBHSA-N 2 0 366.550 0.972 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)CCCO1 ZINC000581331425 491769153 /nfs/dbraw/zinc/76/91/53/491769153.db2.gz QYOMUJBIKIWSBN-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CCc1nsc(N2CCCN(C[C@H](O)C[N@H+](C)CCOC)CC2)n1 ZINC000581951724 491791732 /nfs/dbraw/zinc/79/17/32/491791732.db2.gz LHHRMTKVCKMGFF-CQSZACIVSA-N 2 0 357.524 0.552 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000591411738 491805166 /nfs/dbraw/zinc/80/51/66/491805166.db2.gz INJWTPCSXLAGTE-BZUAXINKSA-N 2 0 351.495 0.500 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582328678 491807645 /nfs/dbraw/zinc/80/76/45/491807645.db2.gz JWCZULRTUNVCFM-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000582475537 491813645 /nfs/dbraw/zinc/81/36/45/491813645.db2.gz SRTZRUSFWPHFEX-QZTJIDSGSA-N 2 0 367.538 0.422 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000582542434 491816781 /nfs/dbraw/zinc/81/67/81/491816781.db2.gz WPBVDMRANBWQQK-HUUCEWRRSA-N 2 0 366.893 0.643 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000582547299 491817318 /nfs/dbraw/zinc/81/73/18/491817318.db2.gz AZKAGHHIYANVNB-SQGPQFPESA-N 2 0 371.485 0.607 20 0 FCADRP CN1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000582784912 491826717 /nfs/dbraw/zinc/82/67/17/491826717.db2.gz WUHXMMARZMELGU-CQSZACIVSA-N 2 0 369.487 0.350 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142734 491838860 /nfs/dbraw/zinc/83/88/60/491838860.db2.gz IXHGPKVMRCPRDQ-IEBWSBKVSA-N 2 0 354.458 0.832 20 0 FCADRP COC(=O)CN1CCC[C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262153 491841176 /nfs/dbraw/zinc/84/11/76/491841176.db2.gz UMRHEJGNBVJCBW-OXJNMPFZSA-N 2 0 359.470 0.919 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583312702 491842200 /nfs/dbraw/zinc/84/22/00/491842200.db2.gz JAEMYCKLIFQAGD-BVIKNXMNSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000583529218 491846819 /nfs/dbraw/zinc/84/68/19/491846819.db2.gz CJADFXPLDFSRNL-HOTGVXAUSA-N 2 0 361.490 0.798 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+](C)C1 ZINC000583552071 491847301 /nfs/dbraw/zinc/84/73/01/491847301.db2.gz CDHBBKXEAUNQMO-ROUUACIJSA-N 2 0 374.485 0.857 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]21 ZINC000583565344 491847680 /nfs/dbraw/zinc/84/76/80/491847680.db2.gz AGJWTMBUWWCSBP-OWCLPIDISA-N 2 0 360.458 0.623 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]21 ZINC000583565342 491847707 /nfs/dbraw/zinc/84/77/07/491847707.db2.gz AGJWTMBUWWCSBP-BZUAXINKSA-N 2 0 360.458 0.623 20 0 FCADRP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000583637174 491849303 /nfs/dbraw/zinc/84/93/03/491849303.db2.gz DPFLIGAFEABPRM-MGLUKCQKSA-N 2 0 351.495 0.462 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@]3(C1)CCC[N@H+](C)C3)CC[NH2+]CC2 ZINC000583807772 491852303 /nfs/dbraw/zinc/85/23/03/491852303.db2.gz ZPJRUZYIWJNHEG-OXQOHEQNSA-N 2 0 362.518 0.921 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000583825914 491852774 /nfs/dbraw/zinc/85/27/74/491852774.db2.gz MCPWNGZAWSFYIB-KRWDZBQOSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850462 491853208 /nfs/dbraw/zinc/85/32/08/491853208.db2.gz MWTXLVWGYVKXFR-ZFWWWQNUSA-N 2 0 359.492 0.266 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000583945692 491855214 /nfs/dbraw/zinc/85/52/14/491855214.db2.gz CSFPNRUHDPZHLC-HRCADAONSA-N 2 0 354.495 0.188 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000583945691 491855313 /nfs/dbraw/zinc/85/53/13/491855313.db2.gz CSFPNRUHDPZHLC-BZUAXINKSA-N 2 0 354.495 0.188 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000584053902 491857521 /nfs/dbraw/zinc/85/75/21/491857521.db2.gz MXFXGSYIYJJOIZ-UONOGXRCSA-N 2 0 366.487 0.594 20 0 FCADRP CC(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068488 491857967 /nfs/dbraw/zinc/85/79/67/491857967.db2.gz MSELISXCIKGOAD-XNFNUYLZSA-N 2 0 362.518 0.916 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000584099142 491858379 /nfs/dbraw/zinc/85/83/79/491858379.db2.gz CNTNMBDVICTBHN-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584147158 491859536 /nfs/dbraw/zinc/85/95/36/491859536.db2.gz PCPWIXOQTOFGRL-OXJNMPFZSA-N 2 0 371.485 0.721 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000584222115 491860811 /nfs/dbraw/zinc/86/08/11/491860811.db2.gz IVWNLAOSXHTEDM-HNNXBMFYSA-N 2 0 352.866 0.881 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000584222116 491860825 /nfs/dbraw/zinc/86/08/25/491860825.db2.gz IVWNLAOSXHTEDM-OAHLLOKOSA-N 2 0 352.866 0.881 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]12 ZINC000584226074 491860977 /nfs/dbraw/zinc/86/09/77/491860977.db2.gz HMMAHTCVSHWYOO-IPMKNSEASA-N 2 0 370.497 0.917 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257566 491861895 /nfs/dbraw/zinc/86/18/95/491861895.db2.gz YMUREDJEWZQARK-QXSJWSMHSA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000601339695 491905356 /nfs/dbraw/zinc/90/53/56/491905356.db2.gz GGXRXGWPIWVHSJ-KRWDZBQOSA-N 2 0 358.552 0.514 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551761 491933767 /nfs/dbraw/zinc/93/37/67/491933767.db2.gz JPAMBEPCBSCEQO-OWCLPIDISA-N 2 0 354.495 0.202 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000612777506 491950130 /nfs/dbraw/zinc/95/01/30/491950130.db2.gz KNFSUTVRRYHDEO-ROUUACIJSA-N 2 0 362.518 0.777 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780170 491950297 /nfs/dbraw/zinc/95/02/97/491950297.db2.gz FNJLWCUACPVJLC-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000612781244 491950777 /nfs/dbraw/zinc/95/07/77/491950777.db2.gz UDKXUVXDWXEDSF-GOSISDBHSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@]1(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878748 491956551 /nfs/dbraw/zinc/95/65/51/491956551.db2.gz MNVJQSVKHYWGPA-PXNSSMCTSA-N 2 0 373.501 0.935 20 0 FCADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000602019499 491957663 /nfs/dbraw/zinc/95/76/63/491957663.db2.gz FJIONCCOTVZVKG-AEVLCDIHSA-N 2 0 361.442 0.898 20 0 FCADRP O=C(NC[C@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916382 491958337 /nfs/dbraw/zinc/95/83/37/491958337.db2.gz PHRJELISBDALCE-GJZGRUSLSA-N 2 0 361.494 0.318 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612919343 491958681 /nfs/dbraw/zinc/95/86/81/491958681.db2.gz UXJDOBCNPZDJEW-LSDHHAIUSA-N 2 0 361.494 0.460 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612972031 491960295 /nfs/dbraw/zinc/96/02/95/491960295.db2.gz VIODTZJWDBQENR-MRXNPFEDSA-N 2 0 358.490 0.775 20 0 FCADRP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595977508 491967636 /nfs/dbraw/zinc/96/76/36/491967636.db2.gz LMMCVCQHBAVWAJ-RDJZCZTQSA-N 2 0 374.533 0.960 20 0 FCADRP C[NH+]1CC=C(CNC(=O)c2cc(C(=O)NCC3=CC[N@H+](C)CC3)[nH]n2)CC1 ZINC000613264612 491975546 /nfs/dbraw/zinc/97/55/46/491975546.db2.gz FHBDDVQFBHKENN-UHFFFAOYSA-N 2 0 372.473 0.393 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613996136 492008905 /nfs/dbraw/zinc/00/89/05/492008905.db2.gz PXHKIFDWZQQMJR-RTBURBONSA-N 2 0 372.513 0.881 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000597460549 492039705 /nfs/dbraw/zinc/03/97/05/492039705.db2.gz KQBWMZZKCOOYRK-UHFFFAOYSA-N 2 0 371.526 0.149 20 0 FCADRP Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000614854549 492060297 /nfs/dbraw/zinc/06/02/97/492060297.db2.gz PZIWRZJAOVCMAS-OAHLLOKOSA-N 2 0 372.473 0.216 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604634308 492065430 /nfs/dbraw/zinc/06/54/30/492065430.db2.gz PQLDBGLBCUVZGK-KRWDZBQOSA-N 2 0 353.511 0.178 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646635 492065859 /nfs/dbraw/zinc/06/58/59/492065859.db2.gz CRQPPDOAWMVGOJ-ROUUACIJSA-N 2 0 367.538 0.422 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000604641317 492066205 /nfs/dbraw/zinc/06/62/05/492066205.db2.gz OVNAHFYYLXAHCC-KZNAEPCWSA-N 2 0 365.522 0.319 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000605985840 492110175 /nfs/dbraw/zinc/11/01/75/492110175.db2.gz PHOKQZUXAOPEEQ-QZTJIDSGSA-N 2 0 367.538 0.255 20 0 FCADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000608694561 492187891 /nfs/dbraw/zinc/18/78/91/492187891.db2.gz QTIYNPHZZYINQF-SFHVURJKSA-N 2 0 368.570 0.197 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000609487733 492210060 /nfs/dbraw/zinc/21/00/60/492210060.db2.gz DIAHHSXHSSVTER-HZPDHXFCSA-N 2 0 369.506 0.829 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)CCSCCC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000609521501 492211375 /nfs/dbraw/zinc/21/13/75/492211375.db2.gz KZLJAQMPTDEMDD-HZPDHXFCSA-N 2 0 370.563 0.636 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000610250146 492239155 /nfs/dbraw/zinc/23/91/55/492239155.db2.gz BKFYHWFHIMRKPQ-YSTOQKLRSA-N 2 0 368.566 0.557 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000627430351 492292635 /nfs/dbraw/zinc/29/26/35/492292635.db2.gz UPMXRVFKIRCPCC-QGZVFWFLSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627443607 492298191 /nfs/dbraw/zinc/29/81/91/492298191.db2.gz NCQMIIOZRFIAGO-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785219 492305018 /nfs/dbraw/zinc/30/50/18/492305018.db2.gz YUMIIQGBSVMXNS-IRXDYDNUSA-N 2 0 367.538 0.565 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641782394 492305922 /nfs/dbraw/zinc/30/59/22/492305922.db2.gz BJINADSHHXHOPT-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568103 492316569 /nfs/dbraw/zinc/31/65/69/492316569.db2.gz GVWGZMUMKXCVCM-KRWDZBQOSA-N 2 0 368.522 0.234 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647569033 492317130 /nfs/dbraw/zinc/31/71/30/492317130.db2.gz ZCODJGUXOINNAX-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000641916186 492322691 /nfs/dbraw/zinc/32/26/91/492322691.db2.gz XWSKLAGSAURSBI-OAHLLOKOSA-N 2 0 352.479 0.678 20 0 FCADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000641916183 492322706 /nfs/dbraw/zinc/32/27/06/492322706.db2.gz XWSKLAGSAURSBI-HNNXBMFYSA-N 2 0 352.479 0.678 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000647595268 492331396 /nfs/dbraw/zinc/33/13/96/492331396.db2.gz YYYACPOJVZCTIN-KBPBESRZSA-N 2 0 356.536 0.706 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260024 492331515 /nfs/dbraw/zinc/33/15/15/492331515.db2.gz PQUXHAJIBISNOL-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000647597152 492332066 /nfs/dbraw/zinc/33/20/66/492332066.db2.gz QFGXXTYQSKQCJJ-CVEARBPZSA-N 2 0 367.538 0.105 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642254039 492345823 /nfs/dbraw/zinc/34/58/23/492345823.db2.gz ZYOBDBGWUPOXPN-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642330425 492351796 /nfs/dbraw/zinc/35/17/96/492351796.db2.gz HVRWYVPNQBLDIO-BEFAXECRSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382776 492356090 /nfs/dbraw/zinc/35/60/90/492356090.db2.gz RJXBFLRYUNJJAZ-CZUORRHYSA-N 2 0 350.463 0.658 20 0 FCADRP CN1C(=O)N[C@@]2(CCN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357394 /nfs/dbraw/zinc/35/73/94/492357394.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 0 358.442 0.250 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000654857490 492360970 /nfs/dbraw/zinc/36/09/70/492360970.db2.gz VUSQGDQYAGRDHE-UHFFFAOYSA-N 2 0 374.551 0.190 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793349 492362569 /nfs/dbraw/zinc/36/25/69/492362569.db2.gz USBHJARTNUUKBZ-HYVNUMGLSA-N 2 0 367.515 0.777 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000647831151 492368447 /nfs/dbraw/zinc/36/84/47/492368447.db2.gz HFNZMRRPFPNIJI-GEEKYZPCSA-N 2 0 354.495 0.105 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640962 492368981 /nfs/dbraw/zinc/36/89/81/492368981.db2.gz SGZCAMBSGSIKRG-OKZBNKHCSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000642648082 492369722 /nfs/dbraw/zinc/36/97/22/492369722.db2.gz MERNRWWDLXVEAQ-UAGQMJEPSA-N 2 0 366.506 0.474 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647873555 492375298 /nfs/dbraw/zinc/37/52/98/492375298.db2.gz ZZJHDCYJSWPMLB-ZDUSSCGKSA-N 2 0 366.487 0.594 20 0 FCADRP c1cc(N2CC[NH2+]CC2)cc(NC2CC[NH+](CCN3CCOCC3)CC2)[nH+]1 ZINC000635009947 492375715 /nfs/dbraw/zinc/37/57/15/492375715.db2.gz PJMGYDSVBAPCOV-UHFFFAOYSA-N 3 0 374.533 0.700 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000642726136 492380630 /nfs/dbraw/zinc/38/06/30/492380630.db2.gz OAJGKOQTHRQDEA-QGZVFWFLSA-N 2 0 358.486 0.460 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C3C[NH+](C4CCCCC4)C3)CCO2)CC1 ZINC000654954849 492383389 /nfs/dbraw/zinc/38/33/89/492383389.db2.gz MJOXVLQFKRUOLU-IBGZPJMESA-N 2 0 364.534 0.726 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642750887 492384435 /nfs/dbraw/zinc/38/44/35/492384435.db2.gz PDFITYWDOBVPAJ-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000642750487 492384952 /nfs/dbraw/zinc/38/49/52/492384952.db2.gz FODMATWKRAWVJN-HRCADAONSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750874 492385148 /nfs/dbraw/zinc/38/51/48/492385148.db2.gz HDXFYEBYGVEPOY-YVSFHVDLSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000642759501 492387066 /nfs/dbraw/zinc/38/70/66/492387066.db2.gz DGOLYHNYYWYVIO-FZCLSBEQSA-N 2 0 374.485 0.198 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642756697 492387099 /nfs/dbraw/zinc/38/70/99/492387099.db2.gz XFOZTAJAQUUFDE-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977761 492390810 /nfs/dbraw/zinc/39/08/10/492390810.db2.gz HFUZVWHXIJKPAV-CVEARBPZSA-N 2 0 374.551 0.096 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000642785807 492391693 /nfs/dbraw/zinc/39/16/93/492391693.db2.gz LZLCTXSKOAVNPG-KZNAEPCWSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642798888 492394986 /nfs/dbraw/zinc/39/49/86/492394986.db2.gz HSYPAGYBKXROSQ-LAQRGFTBSA-N 2 0 374.485 0.340 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642798887 492395166 /nfs/dbraw/zinc/39/51/66/492395166.db2.gz HSYPAGYBKXROSQ-FZCLSBEQSA-N 2 0 374.485 0.340 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902131 492399066 /nfs/dbraw/zinc/39/90/66/492399066.db2.gz KZJHWCGHWSGCIE-INIZCTEOSA-N 2 0 364.465 0.974 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000648105475 492399211 /nfs/dbraw/zinc/39/92/11/492399211.db2.gz BIWYMQSHFAMHCF-MELADBBJSA-N 2 0 358.433 0.338 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000642904419 492400000 /nfs/dbraw/zinc/40/00/00/492400000.db2.gz WBDKLJRALCRTMJ-SFHVURJKSA-N 2 0 358.486 0.979 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000642918951 492403673 /nfs/dbraw/zinc/40/36/73/492403673.db2.gz INHXDEGFNPJPTI-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921477 492404920 /nfs/dbraw/zinc/40/49/20/492404920.db2.gz VMETVEWVCFQXRU-ZWKOTPCHSA-N 2 0 373.501 0.041 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000642943844 492405354 /nfs/dbraw/zinc/40/53/54/492405354.db2.gz HAHYTJMLRDZMAT-KRWDZBQOSA-N 2 0 359.474 0.754 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000642960164 492407595 /nfs/dbraw/zinc/40/75/95/492407595.db2.gz DRRXQBZBXMFAKX-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642982242 492410148 /nfs/dbraw/zinc/41/01/48/492410148.db2.gz RVNOUVCZFFJIOU-CEXWTWQISA-N 2 0 370.497 0.835 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000621781776 492412012 /nfs/dbraw/zinc/41/20/12/492412012.db2.gz IPALKXBFHPJEAG-FXAWDEMLSA-N 2 0 364.534 0.951 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000642993517 492412748 /nfs/dbraw/zinc/41/27/48/492412748.db2.gz DTBMWHSKXUWDBH-SFHVURJKSA-N 2 0 356.470 0.755 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000643012085 492413468 /nfs/dbraw/zinc/41/34/68/492413468.db2.gz ITFOJIODBGDZSY-SFHVURJKSA-N 2 0 374.485 0.134 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621841623 492423682 /nfs/dbraw/zinc/42/36/82/492423682.db2.gz XUGNLXLZPKRYBQ-GJYPPUQNSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621841624 492423771 /nfs/dbraw/zinc/42/37/71/492423771.db2.gz XUGNLXLZPKRYBQ-GPMSIDNRSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000621841532 492423825 /nfs/dbraw/zinc/42/38/25/492423825.db2.gz WKARSFILXKIQRV-YWZLYKJASA-N 2 0 371.485 0.502 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621841626 492423870 /nfs/dbraw/zinc/42/38/70/492423870.db2.gz XUGNLXLZPKRYBQ-MDZRGWNJSA-N 2 0 350.507 0.810 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844076 492424343 /nfs/dbraw/zinc/42/43/43/492424343.db2.gz OUVWDIRPEOEBMC-APWZRJJASA-N 2 0 350.507 0.955 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844078 492424609 /nfs/dbraw/zinc/42/46/09/492424609.db2.gz OUVWDIRPEOEBMC-QFBILLFUSA-N 2 0 350.507 0.955 20 0 FCADRP CC(C)(C)[NH2+]CCNC(=O)c1cc(C(=O)NCC[NH2+]C(C)(C)C)[nH]n1 ZINC000621877876 492430377 /nfs/dbraw/zinc/43/03/77/492430377.db2.gz UICHEUVSKNSOAM-UHFFFAOYSA-N 2 0 352.483 0.646 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028857 492443617 /nfs/dbraw/zinc/44/36/17/492443617.db2.gz WURYNASEMLAQCG-LPHOPBHVSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449906 492444379 /nfs/dbraw/zinc/44/43/79/492444379.db2.gz URYBZSAVFAQZHN-XLIONFOSSA-N 2 0 372.517 0.885 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449904 492444410 /nfs/dbraw/zinc/44/44/10/492444410.db2.gz URYBZSAVFAQZHN-FXAWDEMLSA-N 2 0 372.517 0.885 20 0 FCADRP CN1CCCC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000635457499 492451734 /nfs/dbraw/zinc/45/17/34/492451734.db2.gz FVJRIPFDQXQKQS-GOSISDBHSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758966 492452116 /nfs/dbraw/zinc/45/21/16/492452116.db2.gz OKKYTOLCAPEDRH-HSMRXVHUSA-N 2 0 350.507 0.678 20 0 FCADRP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000643419443 492454063 /nfs/dbraw/zinc/45/40/63/492454063.db2.gz IXVSCHULAMRAEH-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556297 492455551 /nfs/dbraw/zinc/45/55/51/492455551.db2.gz HLOYDYJRSHFXAX-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000655556564 492456363 /nfs/dbraw/zinc/45/63/63/492456363.db2.gz UFEZBVYMBDRHHT-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556290 492456443 /nfs/dbraw/zinc/45/64/43/492456443.db2.gz GTOAAHLPKATSIZ-ROUUACIJSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000648794871 492458467 /nfs/dbraw/zinc/45/84/67/492458467.db2.gz IOHFYVPSJRPWNX-QBPKDAKJSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000643481005 492477032 /nfs/dbraw/zinc/47/70/32/492477032.db2.gz XFTILKVROKMPII-IRXDYDNUSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480973 492477087 /nfs/dbraw/zinc/47/70/87/492477087.db2.gz HROIPZAXWGGNTI-AEFFLSMTSA-N 2 0 374.485 0.296 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000643484736 492477941 /nfs/dbraw/zinc/47/79/41/492477941.db2.gz XQZSKFYYKGAXGX-KRWDZBQOSA-N 2 0 358.486 0.837 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478187 /nfs/dbraw/zinc/47/81/87/492478187.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 2 0 352.523 0.807 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643486716 492479008 /nfs/dbraw/zinc/47/90/08/492479008.db2.gz FDNMZOOEBLPIMH-NVXWUHKLSA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643494628 492481852 /nfs/dbraw/zinc/48/18/52/492481852.db2.gz REBFPIFQJLBRIT-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCO1 ZINC000643494242 492481964 /nfs/dbraw/zinc/48/19/64/492481964.db2.gz WLFKYJMJMCVWOI-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499501 492482346 /nfs/dbraw/zinc/48/23/46/492482346.db2.gz NOJCGXKMAHFSSO-TVFCKZIOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499503 492482695 /nfs/dbraw/zinc/48/26/95/492482695.db2.gz NOJCGXKMAHFSSO-XLAORIBOSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000643505652 492483678 /nfs/dbraw/zinc/48/36/78/492483678.db2.gz OGRBNRBNVUWYHP-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000643503011 492483744 /nfs/dbraw/zinc/48/37/44/492483744.db2.gz YMEZVBDBDBDFFE-BZUAXINKSA-N 2 0 354.495 0.141 20 0 FCADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643509806 492484581 /nfs/dbraw/zinc/48/45/81/492484581.db2.gz VZUDOVULGLXZNA-KURKYZTESA-N 2 0 362.518 0.779 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000643509642 492484719 /nfs/dbraw/zinc/48/47/19/492484719.db2.gz BOENNIBIGPKZRJ-SJORKVTESA-N 2 0 366.506 0.287 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643511163 492485751 /nfs/dbraw/zinc/48/57/51/492485751.db2.gz GGJIDQKZMATBKV-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000643514235 492486082 /nfs/dbraw/zinc/48/60/82/492486082.db2.gz WRTBRHHIXDJPPM-MRXNPFEDSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000643532116 492492232 /nfs/dbraw/zinc/49/22/32/492492232.db2.gz NANKWYYAFNQBKR-GOEBONIOSA-N 2 0 354.495 0.141 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549724 492496676 /nfs/dbraw/zinc/49/66/76/492496676.db2.gz GMZWSSWERQLMHH-MDYRTPRTSA-N 2 0 360.502 0.674 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549773 492497038 /nfs/dbraw/zinc/49/70/38/492497038.db2.gz OTVPMSLWVOBUOV-JQHSSLGASA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000643581008 492499329 /nfs/dbraw/zinc/49/93/29/492499329.db2.gz QOCKAOOLMWMMGS-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)C1 ZINC000643590197 492501521 /nfs/dbraw/zinc/50/15/21/492501521.db2.gz DDHVKCJTLUZETE-HXUWFJFHSA-N 2 0 362.518 0.921 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000643591657 492501678 /nfs/dbraw/zinc/50/16/78/492501678.db2.gz YTOIBIYJMKSQOR-CABCVRRESA-N 2 0 373.457 0.092 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643591647 492501861 /nfs/dbraw/zinc/50/18/61/492501861.db2.gz XVMQRDMHOKUZHY-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643594502 492503664 /nfs/dbraw/zinc/50/36/64/492503664.db2.gz IIPCVCANYRSFIZ-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)ccc2[nH]c1=O ZINC000635864621 492517983 /nfs/dbraw/zinc/51/79/83/492517983.db2.gz JQSULYJIOSWSJW-GASCZTMLSA-N 2 0 357.458 0.937 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656028577 492521255 /nfs/dbraw/zinc/52/12/55/492521255.db2.gz MPFQHMLVHYXOFO-IAGOWNOFSA-N 2 0 366.506 0.476 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656028446 492521644 /nfs/dbraw/zinc/52/16/44/492521644.db2.gz LFCMMPJSRIRRIM-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363567 492548220 /nfs/dbraw/zinc/54/82/20/492548220.db2.gz GEZDOWYMCOXEEI-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649419472 492553803 /nfs/dbraw/zinc/55/38/03/492553803.db2.gz QKNWZBGFYBUNPH-ZWKOTPCHSA-N 2 0 364.534 0.822 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000656308164 492581740 /nfs/dbraw/zinc/58/17/40/492581740.db2.gz YNGQIGUAEZGKKD-BHYGNILZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000656308167 492581846 /nfs/dbraw/zinc/58/18/46/492581846.db2.gz YNGQIGUAEZGKKD-XIRDDKMYSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636587932 492630966 /nfs/dbraw/zinc/63/09/66/492630966.db2.gz PQWWXTDOZULIDQ-HNNXBMFYSA-N 2 0 356.536 0.714 20 0 FCADRP [NH3+]C[C@@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000629568569 492646868 /nfs/dbraw/zinc/64/68/68/492646868.db2.gz UHPMISWHFLWQNG-OLZOCXBDSA-N 2 0 364.412 0.574 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629569525 492647906 /nfs/dbraw/zinc/64/79/06/492647906.db2.gz XOWSEIOXQJQIAC-QGZVFWFLSA-N 3 0 354.539 0.659 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629578093 492654865 /nfs/dbraw/zinc/65/48/65/492654865.db2.gz MCJKVWKVLYXOBT-OAHLLOKOSA-N 2 0 352.454 0.770 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CCOCC[NH3+] ZINC000629579043 492655590 /nfs/dbraw/zinc/65/55/90/492655590.db2.gz IGPMRXZSWVQUQX-AWEZNQCLSA-N 2 0 351.447 0.412 20 0 FCADRP C[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000650679497 492660878 /nfs/dbraw/zinc/66/08/78/492660878.db2.gz QUFUJFQIJGBSMQ-DNVCBOLYSA-N 2 0 358.486 0.894 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225731 492672810 /nfs/dbraw/zinc/67/28/10/492672810.db2.gz VFWNJFWCJMQBQQ-FUHWJXTLSA-N 2 0 356.470 0.588 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225708 492673052 /nfs/dbraw/zinc/67/30/52/492673052.db2.gz MOCBNSKOZOAKCA-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225707 492673074 /nfs/dbraw/zinc/67/30/74/492673074.db2.gz MOCBNSKOZOAKCA-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629815307 492685839 /nfs/dbraw/zinc/68/58/39/492685839.db2.gz NSDWAUAITPZSDH-SZMVWBNQSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000629815667 492685895 /nfs/dbraw/zinc/68/58/95/492685895.db2.gz RXTCTDFSJCLRRN-KRWDZBQOSA-N 2 0 368.522 0.402 20 0 FCADRP CCN1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](OC)C2)C1 ZINC000636793834 492695578 /nfs/dbraw/zinc/69/55/78/492695578.db2.gz CKQAZAWTDSAXEL-MLHJIOFPSA-N 2 0 368.522 0.990 20 0 FCADRP CC[N@H+]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)[C@@H](C)C1 ZINC000636911739 492726928 /nfs/dbraw/zinc/72/69/28/492726928.db2.gz BUTDXYBPEBPYCH-MPGHIAIKSA-N 2 0 354.495 0.242 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000651261388 492730459 /nfs/dbraw/zinc/73/04/59/492730459.db2.gz CTUICLCMUQMLLA-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP CCN1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000651313485 492740050 /nfs/dbraw/zinc/74/00/50/492740050.db2.gz DFIOQUNFEWWIPL-DOTOQJQBSA-N 2 0 365.522 0.665 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000637036508 492755124 /nfs/dbraw/zinc/75/51/24/492755124.db2.gz LCHQRXWFYMUMLG-ROUUACIJSA-N 2 0 362.474 0.119 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)NCC[N@@H+]3CCCOCC3)cn2)CC1 ZINC000637171093 492785233 /nfs/dbraw/zinc/78/52/33/492785233.db2.gz JZVIKUWYKMRTBD-UHFFFAOYSA-N 2 0 350.467 0.994 20 0 FCADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2)CC1 ZINC000644672608 492797921 /nfs/dbraw/zinc/79/79/21/492797921.db2.gz DDJXGRSUZQCCBT-IBGZPJMESA-N 2 0 371.485 0.731 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873183 492807339 /nfs/dbraw/zinc/80/73/39/492807339.db2.gz GRLJKEDXAYUBCT-GOSISDBHSA-N 2 0 371.485 0.817 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000637376020 492816121 /nfs/dbraw/zinc/81/61/21/492816121.db2.gz CSMCPVCQONWVGT-INIZCTEOSA-N 2 0 360.462 0.253 20 0 FCADRP C[NH+](C)C1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCCC1 ZINC000631651461 492829165 /nfs/dbraw/zinc/82/91/65/492829165.db2.gz RLEIYCUOUKXVII-UHFFFAOYSA-N 2 0 360.568 0.808 20 0 FCADRP C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000631674405 492833453 /nfs/dbraw/zinc/83/34/53/492833453.db2.gz UYCFLSPLWILHBM-XYPHTWIQSA-N 2 0 371.503 0.327 20 0 FCADRP CC1CC[NH+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631720216 492841495 /nfs/dbraw/zinc/84/14/95/492841495.db2.gz RFBGQDLCUPXFSM-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000631848050 492862318 /nfs/dbraw/zinc/86/23/18/492862318.db2.gz LAEGEVXUWJKYLX-ROUUACIJSA-N 2 0 358.486 0.776 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637815370 492869587 /nfs/dbraw/zinc/86/95/87/492869587.db2.gz UCRIEEGZVAMHLD-MRXNPFEDSA-N 2 0 366.506 0.015 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000631909355 492875564 /nfs/dbraw/zinc/87/55/64/492875564.db2.gz BWMDTUBCSKLLOS-QGZVFWFLSA-N 2 0 354.520 0.678 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000631912226 492877680 /nfs/dbraw/zinc/87/76/80/492877680.db2.gz YMZJFAGOZTXXFN-UHFFFAOYSA-N 2 0 366.531 0.953 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652130904 492885152 /nfs/dbraw/zinc/88/51/52/492885152.db2.gz FHKZAIAXNVVLOC-GVDBMIGSSA-N 2 0 356.511 0.883 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000631922701 492885582 /nfs/dbraw/zinc/88/55/82/492885582.db2.gz CLNKQXBEGXXFJP-QGZVFWFLSA-N 2 0 358.552 0.514 20 0 FCADRP C[NH2+]Cc1ccccc1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631948324 492896060 /nfs/dbraw/zinc/89/60/60/492896060.db2.gz CJTFDLCISYFPKK-UHFFFAOYSA-N 2 0 354.520 0.463 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000638064324 492899798 /nfs/dbraw/zinc/89/97/98/492899798.db2.gz KALAPHNESYCDTE-UHFFFAOYSA-N 2 0 361.490 0.602 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975051 492902136 /nfs/dbraw/zinc/90/21/36/492902136.db2.gz BULVZACOXKGLRQ-SHTZXODSSA-N 2 0 357.524 0.857 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000638084173 492902319 /nfs/dbraw/zinc/90/23/19/492902319.db2.gz DBHMHQSPIBELKQ-QFBILLFUSA-N 2 0 362.474 0.361 20 0 FCADRP C[NH+](C)CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(C)(C)C ZINC000631981288 492902883 /nfs/dbraw/zinc/90/28/83/492902883.db2.gz ZMKPHSXMISZKNJ-MRXNPFEDSA-N 2 0 362.584 0.910 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000645419838 492903682 /nfs/dbraw/zinc/90/36/82/492903682.db2.gz UVCPEPCPIWUTAS-GOSISDBHSA-N 2 0 358.486 0.809 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638101284 492905771 /nfs/dbraw/zinc/90/57/71/492905771.db2.gz PEPVLFXQLCSKFB-RYUDHWBXSA-N 2 0 354.405 0.964 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@@H]4OCC[NH2+][C@@H]4C3)cc21 ZINC000638228144 492923946 /nfs/dbraw/zinc/92/39/46/492923946.db2.gz UVMFVKRUSUPXHQ-WBVHZDCISA-N 2 0 373.457 0.506 20 0 FCADRP [NH3+]C1(CC(=O)NC[C@H]2C[NH2+]CCCO2)CCN(Cc2ccccc2)CC1 ZINC000638265252 492925575 /nfs/dbraw/zinc/92/55/75/492925575.db2.gz KSTLXSAQICDAOA-GOSISDBHSA-N 2 0 360.502 0.865 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632084410 492926491 /nfs/dbraw/zinc/92/64/91/492926491.db2.gz BHBMZEPGVWHWAE-KZNAEPCWSA-N 2 0 374.595 0.910 20 0 FCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349289 492939328 /nfs/dbraw/zinc/93/93/28/492939328.db2.gz ZWSRJSFYQFMVIG-HRCADAONSA-N 2 0 351.495 0.497 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000632170651 492942850 /nfs/dbraw/zinc/94/28/50/492942850.db2.gz HNSSQMWFFDHGJU-MSOLQXFVSA-N 2 0 369.531 0.741 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000638555566 492960468 /nfs/dbraw/zinc/96/04/68/492960468.db2.gz YNWLJRPCGLWJFX-ZDUSSCGKSA-N 2 0 374.938 0.961 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1=O ZINC000638562850 492961005 /nfs/dbraw/zinc/96/10/05/492961005.db2.gz ZYJZIXSQTXTZRO-JHJVBQTASA-N 2 0 364.412 0.382 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000632289791 492967180 /nfs/dbraw/zinc/96/71/80/492967180.db2.gz YDZYAEOPUALFDH-MRXNPFEDSA-N 2 0 360.568 0.664 20 0 FCADRP C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632306897 492969498 /nfs/dbraw/zinc/96/94/98/492969498.db2.gz YLVKYYLJZOGMOD-ROUUACIJSA-N 2 0 360.502 0.769 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000638729570 492973758 /nfs/dbraw/zinc/97/37/58/492973758.db2.gz RYVXSUPAQXYEBT-HNNXBMFYSA-N 2 0 362.478 0.530 20 0 FCADRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)CC1 ZINC000645774922 492973776 /nfs/dbraw/zinc/97/37/76/492973776.db2.gz ZGLHJKJNZBSYDL-MRXNPFEDSA-N 2 0 359.536 0.845 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638793351 492979192 /nfs/dbraw/zinc/97/91/92/492979192.db2.gz UGYKRSQERBNOHR-KRWDZBQOSA-N 2 0 353.507 0.962 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000638855326 492981662 /nfs/dbraw/zinc/98/16/62/492981662.db2.gz BAPVKGBQBWYOPL-DLBZAZTESA-N 2 0 360.458 0.506 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000638849036 492981795 /nfs/dbraw/zinc/98/17/95/492981795.db2.gz PBDTUZMYSKRTQE-UHFFFAOYSA-N 2 0 360.911 0.715 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1=O ZINC000638855925 492982248 /nfs/dbraw/zinc/98/22/48/492982248.db2.gz IRCKCXBHBGVILH-DOMZBBRYSA-N 2 0 362.396 0.340 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000638857020 492982346 /nfs/dbraw/zinc/98/23/46/492982346.db2.gz WRZRLGFZVJBBSH-ROUUACIJSA-N 2 0 374.485 0.376 20 0 FCADRP C[C@H](CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000638856799 492982624 /nfs/dbraw/zinc/98/26/24/492982624.db2.gz UAEVVWZBOXHDMH-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC2)C1=O ZINC000638856701 492982645 /nfs/dbraw/zinc/98/26/45/492982645.db2.gz RTVYJPSOYYPGTO-WIYYLYMNSA-N 2 0 370.497 0.729 20 0 FCADRP O=C(CNS(=O)(=O)CCC[NH+]1CCCC1)NCC[NH+]1CCCCCC1 ZINC000632363338 492982829 /nfs/dbraw/zinc/98/28/29/492982829.db2.gz KNKUCRRXTRFTND-UHFFFAOYSA-N 2 0 374.551 0.384 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645855224 492983065 /nfs/dbraw/zinc/98/30/65/492983065.db2.gz RAFJZXRFMZRNGI-GVDBMIGSSA-N 2 0 350.507 0.681 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)nn1 ZINC000638904368 492985737 /nfs/dbraw/zinc/98/57/37/492985737.db2.gz JXXJPKJTTQUBSC-INIZCTEOSA-N 2 0 362.478 0.545 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000638987244 492990886 /nfs/dbraw/zinc/99/08/86/492990886.db2.gz DPKPGXQEPBXJNS-NSHDSACASA-N 2 0 371.363 0.841 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000645952741 492992454 /nfs/dbraw/zinc/99/24/54/492992454.db2.gz MPUFPKDIEYPMMD-IAGOWNOFSA-N 2 0 358.486 0.998 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000652725880 493005788 /nfs/dbraw/zinc/00/57/88/493005788.db2.gz WQYDNOUTSXTXLK-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1nccn1CCC[N@@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639543481 493018555 /nfs/dbraw/zinc/01/85/55/493018555.db2.gz HNROCGVHIMPJQP-UHFFFAOYSA-N 2 0 371.507 0.054 20 0 FCADRP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616671 493023783 /nfs/dbraw/zinc/02/37/83/493023783.db2.gz CJOAXUZSQKHQJM-OALUTQOASA-N 2 0 358.442 0.297 20 0 FCADRP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1CC[NH+](C)CC1 ZINC000626817373 493025674 /nfs/dbraw/zinc/02/56/74/493025674.db2.gz UFJDHYOUYIOWHZ-ZDUSSCGKSA-N 2 0 360.458 0.954 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)N[C@@H](CO)C[NH+](C)C)c1-c1ccccc1 ZINC000646209283 493027515 /nfs/dbraw/zinc/02/75/15/493027515.db2.gz DJGLJLUJYWQHAM-MRXNPFEDSA-N 2 0 359.474 0.764 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000626854129 493038338 /nfs/dbraw/zinc/03/83/38/493038338.db2.gz FLFWEGSNKOXLQO-UHFFFAOYSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c1 ZINC000639849630 493056172 /nfs/dbraw/zinc/05/61/72/493056172.db2.gz PWLBXVYFQCCSMT-IYWMVGAKSA-N 2 0 364.486 0.322 20 0 FCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000646600138 493066565 /nfs/dbraw/zinc/06/65/65/493066565.db2.gz DDQPRYNLVHVKIM-HNNXBMFYSA-N 2 0 358.446 0.949 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000626935876 493067784 /nfs/dbraw/zinc/06/77/84/493067784.db2.gz OZJNGJHZFYMBHH-QGZVFWFLSA-N 2 0 361.490 0.486 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626975494 493072818 /nfs/dbraw/zinc/07/28/18/493072818.db2.gz YACKFCSVHSWPJC-JHJVBQTASA-N 2 0 351.417 0.401 20 0 FCADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638643 493076266 /nfs/dbraw/zinc/07/62/66/493076266.db2.gz MNWLUGWRRPZOHL-RDJZCZTQSA-N 2 0 374.489 0.092 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000627092298 493086899 /nfs/dbraw/zinc/08/68/99/493086899.db2.gz SWNQSVKTGNSBKU-MBNYWOFBSA-N 2 0 352.401 0.924 20 0 FCADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658855214 493086931 /nfs/dbraw/zinc/08/69/31/493086931.db2.gz HKWUGAOWMCSIRY-IBGZPJMESA-N 2 0 372.513 0.782 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000627092299 493087451 /nfs/dbraw/zinc/08/74/51/493087451.db2.gz SWNQSVKTGNSBKU-OUCADQQQSA-N 2 0 352.401 0.924 20 0 FCADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000627114003 493089478 /nfs/dbraw/zinc/08/94/78/493089478.db2.gz SQXJWWGXNSNLFZ-CZUORRHYSA-N 2 0 356.417 0.946 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1NC(=O)CC[NH+](C)C ZINC000633022462 493104428 /nfs/dbraw/zinc/10/44/28/493104428.db2.gz IEQRSRWUNYNQAF-GJZGRUSLSA-N 2 0 373.457 0.396 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633075461 493115225 /nfs/dbraw/zinc/11/52/25/493115225.db2.gz GTPLMVLWPVZKSZ-HDICACEKSA-N 2 0 356.470 0.684 20 0 FCADRP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627258118 493121327 /nfs/dbraw/zinc/12/13/27/493121327.db2.gz UVAIWANJZRLXJE-QYZOEREBSA-N 2 0 358.486 0.961 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+](C)C)cc1 ZINC000627287224 493133991 /nfs/dbraw/zinc/13/39/91/493133991.db2.gz NUMXXISTCRHPJY-MRXNPFEDSA-N 2 0 350.463 0.148 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)Cn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1)c1ccccc1 ZINC000640836482 493134049 /nfs/dbraw/zinc/13/40/49/493134049.db2.gz GALATCUIMPNOKV-LMMKCTJWSA-N 2 0 372.473 0.876 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627292047 493136495 /nfs/dbraw/zinc/13/64/95/493136495.db2.gz KNTNLVDCXXTTSX-UONOGXRCSA-N 2 0 366.487 0.106 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297117 493139159 /nfs/dbraw/zinc/13/91/59/493139159.db2.gz BRBVJCICURWENZ-HUUCEWRRSA-N 2 0 354.495 0.189 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@H]2C1 ZINC000659072851 493139392 /nfs/dbraw/zinc/13/93/92/493139392.db2.gz CYRLVNHMPVXBHA-JLSDUUJJSA-N 2 0 372.469 0.839 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659090803 493148008 /nfs/dbraw/zinc/14/80/08/493148008.db2.gz UQKMNIFVZIJISB-UHFFFAOYSA-N 2 0 350.467 0.674 20 0 FCADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000633481567 493159114 /nfs/dbraw/zinc/15/91/14/493159114.db2.gz VCRVBPYYCNGKEX-UYAOXDASSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000627338555 493160596 /nfs/dbraw/zinc/16/05/96/493160596.db2.gz JWBSVZXACJGLMR-RLFYNMQTSA-N 2 0 374.485 0.390 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091847 493162615 /nfs/dbraw/zinc/16/26/15/493162615.db2.gz QQNSUKSMLCEBGU-KURKYZTESA-N 2 0 371.485 0.823 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627345379 493165196 /nfs/dbraw/zinc/16/51/96/493165196.db2.gz JNAABUXZYYEONS-KRWDZBQOSA-N 2 0 362.474 0.249 20 0 FCADRP CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000681452786 493172144 /nfs/dbraw/zinc/17/21/44/493172144.db2.gz KJDMCKBPJOWVFH-CQSZACIVSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000627357620 493174194 /nfs/dbraw/zinc/17/41/94/493174194.db2.gz LCJXMQGDOPNWNB-ROUUACIJSA-N 2 0 374.485 0.044 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659454180 493183905 /nfs/dbraw/zinc/18/39/05/493183905.db2.gz YHUGENAQEUOFES-RCCFBDPRSA-N 2 0 363.481 0.816 20 0 FCADRP [NH3+]Cc1cnn(Cc2cn(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000641228845 493185013 /nfs/dbraw/zinc/18/50/13/493185013.db2.gz FDWVSUVGRFYIEG-IBGZPJMESA-N 2 0 367.457 0.619 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264822 493186446 /nfs/dbraw/zinc/18/64/46/493186446.db2.gz UCUDGAWHBJNROT-LSDHHAIUSA-N 2 0 355.508 0.434 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659477559 493189639 /nfs/dbraw/zinc/18/96/39/493189639.db2.gz KSRRNHQWKPPQKB-CYBMUJFWSA-N 2 0 358.446 0.961 20 0 FCADRP CCO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C ZINC000659318510 493190178 /nfs/dbraw/zinc/19/01/78/493190178.db2.gz INHUWCODXKFMAO-CVEARBPZSA-N 2 0 356.511 0.212 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627392666 493200272 /nfs/dbraw/zinc/20/02/72/493200272.db2.gz BHTMKQGQRZDROS-INIZCTEOSA-N 2 0 368.522 0.448 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659583733 493216825 /nfs/dbraw/zinc/21/68/25/493216825.db2.gz QRMHORQRJLGEKB-JFIYKMOQSA-N 2 0 350.438 0.637 20 0 FCADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609502 493220317 /nfs/dbraw/zinc/22/03/17/493220317.db2.gz AYVHXVOZOYBHDT-QPIRBTGLSA-N 2 0 357.502 0.854 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000672696285 493234478 /nfs/dbraw/zinc/23/44/78/493234478.db2.gz BKPQZMBEFOIJMT-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000672700075 493236726 /nfs/dbraw/zinc/23/67/26/493236726.db2.gz YMYHOKLWABXOTK-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000666924834 493237250 /nfs/dbraw/zinc/23/72/50/493237250.db2.gz MBERRTQUPJMIGP-HOTGVXAUSA-N 2 0 351.495 0.419 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000659673277 493243867 /nfs/dbraw/zinc/24/38/67/493243867.db2.gz ISLBKWVIPVHGEE-GDBMZVCRSA-N 2 0 362.474 0.672 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978217 493245126 /nfs/dbraw/zinc/24/51/26/493245126.db2.gz UQQLUOHMTDNCPL-DLBZAZTESA-N 2 0 354.495 0.386 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000641492169 493246122 /nfs/dbraw/zinc/24/61/22/493246122.db2.gz WEOPFHYJVHWXHZ-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000659690014 493255401 /nfs/dbraw/zinc/25/54/01/493255401.db2.gz MIVAZPGPHOORQP-QAPCUYQASA-N 2 0 373.501 0.748 20 0 FCADRP C[C@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000681948500 493256082 /nfs/dbraw/zinc/25/60/82/493256082.db2.gz BBNVFBRLWCSISH-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[N@@H+]1C1CC1 ZINC000659694533 493258155 /nfs/dbraw/zinc/25/81/55/493258155.db2.gz VJDKZRHVEVDHFD-OIISXLGYSA-N 2 0 362.518 0.966 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000659696952 493258505 /nfs/dbraw/zinc/25/85/05/493258505.db2.gz DTMNSBCEYCVFHM-UHFFFAOYSA-N 2 0 358.486 0.939 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667151300 493261964 /nfs/dbraw/zinc/26/19/64/493261964.db2.gz HAERDVYKXMQRQT-HNNXBMFYSA-N 2 0 350.467 0.820 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705939 493264323 /nfs/dbraw/zinc/26/43/23/493264323.db2.gz AATABYQLWQPMLW-IAGOWNOFSA-N 2 0 366.506 0.062 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000659712189 493267645 /nfs/dbraw/zinc/26/76/45/493267645.db2.gz HQBDOGAHWMECNQ-DLBZAZTESA-N 2 0 360.458 0.172 20 0 FCADRP [NH3+]C1CCC(NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659712448 493267661 /nfs/dbraw/zinc/26/76/61/493267661.db2.gz FAEYJXKZMPJTJK-UHFFFAOYSA-N 2 0 373.501 0.796 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659716202 493269818 /nfs/dbraw/zinc/26/98/18/493269818.db2.gz UZSQECUXVBKDDG-PBHICJAKSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718266 493270250 /nfs/dbraw/zinc/27/02/50/493270250.db2.gz NLBROTMNGLROQZ-IRXDYDNUSA-N 2 0 366.506 0.380 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000659734734 493278810 /nfs/dbraw/zinc/27/88/10/493278810.db2.gz BRKQLNDRFUSVMR-GOEBONIOSA-N 2 0 352.479 0.086 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738175 493279824 /nfs/dbraw/zinc/27/98/24/493279824.db2.gz BCUKTJVFZYDITO-HZPDHXFCSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738176 493279856 /nfs/dbraw/zinc/27/98/56/493279856.db2.gz BCUKTJVFZYDITO-JKSUJKDBSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000667403052 493283137 /nfs/dbraw/zinc/28/31/37/493283137.db2.gz RRLLBAOMQQQQNB-XJKSGUPXSA-N 2 0 364.446 0.140 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659754250 493286445 /nfs/dbraw/zinc/28/64/45/493286445.db2.gz CJNDESXTELWJRO-PBHICJAKSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000659756524 493287214 /nfs/dbraw/zinc/28/72/14/493287214.db2.gz RHGKQXFLHJTTSF-UHFFFAOYSA-N 2 0 350.507 0.812 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nc2ncccn2n1 ZINC000667680979 493296141 /nfs/dbraw/zinc/29/61/41/493296141.db2.gz XXZHYQDTEJPGOE-UHFFFAOYSA-N 2 0 366.429 0.461 20 0 FCADRP CC(C)O[C@]1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOC1 ZINC000659903799 493300577 /nfs/dbraw/zinc/30/05/77/493300577.db2.gz DLGJFTCWYMNJKJ-MRXNPFEDSA-N 2 0 365.540 0.326 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811305 493303166 /nfs/dbraw/zinc/30/31/66/493303166.db2.gz JHYZODKKZUIASQ-HNNXBMFYSA-N 2 0 365.526 0.845 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000673275232 493310056 /nfs/dbraw/zinc/31/00/56/493310056.db2.gz OAPXMWFJPZFCPF-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000673337280 493318894 /nfs/dbraw/zinc/31/88/94/493318894.db2.gz FTHUDGRYDILIHL-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351074 493320087 /nfs/dbraw/zinc/32/00/87/493320087.db2.gz JGODILIHVIPVHE-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000673465162 493331160 /nfs/dbraw/zinc/33/11/60/493331160.db2.gz PNIWEDFPEKMMIQ-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000673470513 493332283 /nfs/dbraw/zinc/33/22/83/493332283.db2.gz OSZWOOFFTBREIC-JKSUJKDBSA-N 2 0 356.511 0.258 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000668511045 493367666 /nfs/dbraw/zinc/36/76/66/493367666.db2.gz CFYNUCBACRPKMW-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668511534 493368102 /nfs/dbraw/zinc/36/81/02/493368102.db2.gz JCRGDTDSMLXQAM-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP CC(C)[N@H+](C)C[C@H](O)CN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673033 493371463 /nfs/dbraw/zinc/37/14/63/493371463.db2.gz ZINYQHJFFTXLOS-MRXNPFEDSA-N 2 0 372.535 0.403 20 0 FCADRP C[C@@H]1CN(C/C=C\CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000660726589 493375976 /nfs/dbraw/zinc/37/59/76/493375976.db2.gz XEXAALJKEFGWHM-DQTQQJQMSA-N 2 0 368.566 0.316 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982734 493379429 /nfs/dbraw/zinc/37/94/29/493379429.db2.gz NKFKNXDOTXCHEP-FUHWJXTLSA-N 2 0 369.579 0.845 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668751531 493405205 /nfs/dbraw/zinc/40/52/05/493405205.db2.gz WOUNRMVGBIXLPC-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCS(N)(=O)=O)CC2)CC1 ZINC000674306327 493406362 /nfs/dbraw/zinc/40/63/62/493406362.db2.gz GPVYUQFMLQGGBZ-UHFFFAOYSA-N 2 0 360.568 0.793 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661089728 493408657 /nfs/dbraw/zinc/40/86/57/493408657.db2.gz XPHHRQSMLARHMC-UHFFFAOYSA-N 2 0 361.490 0.921 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668788267 493411286 /nfs/dbraw/zinc/41/12/86/493411286.db2.gz YCLUCXOQAOOHFD-INIZCTEOSA-N 2 0 368.522 0.593 20 0 FCADRP CN1C(=O)COc2cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000685021659 493442770 /nfs/dbraw/zinc/44/27/70/493442770.db2.gz CMAKNUSQYZOCDR-UHFFFAOYSA-N 2 0 363.462 0.999 20 0 FCADRP C[C@@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596722 493449726 /nfs/dbraw/zinc/44/97/26/493449726.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000661663375 493456374 /nfs/dbraw/zinc/45/63/74/493456374.db2.gz UKZZKMSAHWYIBK-KRWDZBQOSA-N 2 0 369.554 0.317 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000669227855 493479910 /nfs/dbraw/zinc/47/99/10/493479910.db2.gz HORLNHGGQCOEOP-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661974329 493479985 /nfs/dbraw/zinc/47/99/85/493479985.db2.gz WQKMPIHUZSJUHX-MSOLQXFVSA-N 2 0 368.522 0.896 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669444088 493504557 /nfs/dbraw/zinc/50/45/57/493504557.db2.gz YOIJXFYDSFVNSS-JYJNAYRXSA-N 2 0 351.495 0.323 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[NH2+]C3CC3)c2)C1 ZINC000669470027 493504942 /nfs/dbraw/zinc/50/49/42/493504942.db2.gz YAGIMZRCWIUZJN-KRWDZBQOSA-N 2 0 373.501 0.935 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669462499 493505129 /nfs/dbraw/zinc/50/51/29/493505129.db2.gz QHJWDHQJUSYQLV-CRAIPNDOSA-N 2 0 364.490 0.927 20 0 FCADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)[C@@H]1CCC[NH3+] ZINC000662318423 493506065 /nfs/dbraw/zinc/50/60/65/493506065.db2.gz ZENMODHERSSEPQ-IAGOWNOFSA-N 2 0 360.506 0.965 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486545 493506653 /nfs/dbraw/zinc/50/66/53/493506653.db2.gz WGUUSAHWBPGZTK-IAGOWNOFSA-N 2 0 353.511 0.210 20 0 FCADRP C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000669490714 493507544 /nfs/dbraw/zinc/50/75/44/493507544.db2.gz WIQRRTBMJKPJQI-OCCSQVGLSA-N 2 0 365.444 0.852 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491347 493507586 /nfs/dbraw/zinc/50/75/86/493507586.db2.gz WGOGLINCBAKEGJ-DLBZAZTESA-N 2 0 363.506 0.324 20 0 FCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337596 493507676 /nfs/dbraw/zinc/50/76/76/493507676.db2.gz LUOQFZRUUKUXTM-DLBZAZTESA-N 2 0 362.522 0.719 20 0 FCADRP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338483 493508047 /nfs/dbraw/zinc/50/80/47/493508047.db2.gz SASAQAYKUXIJRN-SJORKVTESA-N 2 0 362.522 0.719 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662407864 493513608 /nfs/dbraw/zinc/51/36/08/493513608.db2.gz KHSYILQPBYOBOY-AWEZNQCLSA-N 2 0 370.461 0.650 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000662446938 493516090 /nfs/dbraw/zinc/51/60/90/493516090.db2.gz SXDRWENSFLTTJN-CYBMUJFWSA-N 2 0 356.430 0.853 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@@H+]1C[C@H](C)O ZINC000662529342 493523932 /nfs/dbraw/zinc/52/39/32/493523932.db2.gz VVXIAWPXLBQQAJ-UNQWWWNPSA-N 2 0 363.506 0.335 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn[nH]c3[C@@H]3CC[NH2+]C3)cc2)[nH]1 ZINC000662556609 493525639 /nfs/dbraw/zinc/52/56/39/493525639.db2.gz BMVNRWDUWSBUNR-LLVKDONJSA-N 2 0 352.402 0.983 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662682559 493531515 /nfs/dbraw/zinc/53/15/15/493531515.db2.gz JOEGLNKIIYCGIA-DLBZAZTESA-N 2 0 360.458 0.686 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000662754488 493538722 /nfs/dbraw/zinc/53/87/22/493538722.db2.gz PGNVDKGZPIUPNU-INIZCTEOSA-N 2 0 355.446 0.950 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755539 493539344 /nfs/dbraw/zinc/53/93/44/493539344.db2.gz CYWZHUSVPFWKAC-GUDVDZBRSA-N 2 0 360.502 0.845 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662759467 493540020 /nfs/dbraw/zinc/54/00/20/493540020.db2.gz XNMJWLJAZRKGGS-MOPGFXCFSA-N 2 0 360.502 0.987 20 0 FCADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000676308479 493544453 /nfs/dbraw/zinc/54/44/53/493544453.db2.gz XDPHRZILQARDTM-IRXDYDNUSA-N 2 0 357.543 0.621 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842582 493545920 /nfs/dbraw/zinc/54/59/20/493545920.db2.gz PXKJTLNPXMHKNQ-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@@H+]1CCC[C@H](CN(C)C(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1c1cnn(C)c1 ZINC000662863510 493547796 /nfs/dbraw/zinc/54/77/96/493547796.db2.gz HMIRUJTUUNPRRF-BPQIPLTHSA-N 2 0 363.506 0.888 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394350 493549017 /nfs/dbraw/zinc/54/90/17/493549017.db2.gz ZTBZDBPUOZPBSJ-FPOVZHCZSA-N 2 0 373.497 0.993 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662931024 493555965 /nfs/dbraw/zinc/55/59/65/493555965.db2.gz ZFOXGXHBULYUOC-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000662939551 493556655 /nfs/dbraw/zinc/55/66/55/493556655.db2.gz AIUIGQSNJYBVJZ-UHFFFAOYSA-N 2 0 361.490 0.954 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)CC1 ZINC000662943858 493558014 /nfs/dbraw/zinc/55/80/14/493558014.db2.gz ZQOYHRARAPQDHJ-UHFFFAOYSA-N 2 0 367.538 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000662950535 493559948 /nfs/dbraw/zinc/55/99/48/493559948.db2.gz MSFAXHMJMAPZPT-ZHALLVOQSA-N 2 0 372.513 0.971 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000662951546 493560144 /nfs/dbraw/zinc/56/01/44/493560144.db2.gz LSNDDAHCRGJTJE-GHTZIAJQSA-N 2 0 372.513 0.959 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000662956990 493560508 /nfs/dbraw/zinc/56/05/08/493560508.db2.gz CTEHRRSBCRDTEE-BPQIPLTHSA-N 2 0 358.486 0.567 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662962516 493561557 /nfs/dbraw/zinc/56/15/57/493561557.db2.gz KAWKJANPNKNGBI-SFHVURJKSA-N 2 0 360.502 0.830 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019806 493567161 /nfs/dbraw/zinc/56/71/61/493567161.db2.gz VCXWQTHIGSMWPP-JYJNAYRXSA-N 2 0 360.506 0.900 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000670804568 493598440 /nfs/dbraw/zinc/59/84/40/493598440.db2.gz LMIKUXSDBDGLAG-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C1CN(c2ncnc(N3CC([NH+](C)C)C3)c2Br)C1 ZINC000663754225 493616328 /nfs/dbraw/zinc/61/63/28/493616328.db2.gz FKPSSBXYIRTXQP-UHFFFAOYSA-N 2 0 355.284 0.740 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000671033355 493625670 /nfs/dbraw/zinc/62/56/70/493625670.db2.gz YRCASEMOLKQYGF-QGZVFWFLSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000663974887 493628444 /nfs/dbraw/zinc/62/84/44/493628444.db2.gz HARKVMMVFDUMHP-ROUUACIJSA-N 2 0 364.490 0.833 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000671070931 493629101 /nfs/dbraw/zinc/62/91/01/493629101.db2.gz SHFPSLNYIIFCKZ-YOEHRIQHSA-N 2 0 354.520 0.140 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000671071569 493629625 /nfs/dbraw/zinc/62/96/25/493629625.db2.gz PRYLZPYSBGAQKK-PBHICJAKSA-N 2 0 356.536 0.529 20 0 FCADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671091433 493632097 /nfs/dbraw/zinc/63/20/97/493632097.db2.gz SECVZSVZDKQATP-UHFFFAOYSA-N 2 0 371.485 0.721 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671104245 493633970 /nfs/dbraw/zinc/63/39/70/493633970.db2.gz SSZVMCOKIMJPPA-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000671106628 493636086 /nfs/dbraw/zinc/63/60/86/493636086.db2.gz HZFCDCDMOPIQND-VQHPVUNQSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000664355191 493655299 /nfs/dbraw/zinc/65/52/99/493655299.db2.gz DDDGRDOPOCTBSG-IRXDYDNUSA-N 2 0 368.522 0.585 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671365611 493661047 /nfs/dbraw/zinc/66/10/47/493661047.db2.gz IVUDAKMYWYURDF-DLBZAZTESA-N 2 0 367.538 0.071 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000671390472 493663520 /nfs/dbraw/zinc/66/35/20/493663520.db2.gz RJPJJHRYCQEJIC-DOTOQJQBSA-N 2 0 362.474 0.070 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664502811 493663788 /nfs/dbraw/zinc/66/37/88/493663788.db2.gz LGHZYCGRGQYDTF-JLSDUUJJSA-N 2 0 361.490 0.923 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404579 493666748 /nfs/dbraw/zinc/66/67/48/493666748.db2.gz NUKXQTMBTYXDRE-IRXDYDNUSA-N 2 0 373.501 0.967 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664957021 493691953 /nfs/dbraw/zinc/69/19/53/493691953.db2.gz CBLGCBRPPIYRIH-KRWDZBQOSA-N 2 0 354.495 0.605 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CC[NH+](C)CC1 ZINC000672012777 493724636 /nfs/dbraw/zinc/72/46/36/493724636.db2.gz WJDOJSJBINTSRD-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672014446 493724946 /nfs/dbraw/zinc/72/49/46/493724946.db2.gz MVUKCIYGFODTEE-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672014051 493725012 /nfs/dbraw/zinc/72/50/12/493725012.db2.gz POQDHXKLAABIQG-UAGQMJEPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000672014988 493725158 /nfs/dbraw/zinc/72/51/58/493725158.db2.gz PZLDGTFAAAVDEX-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000672165938 493740129 /nfs/dbraw/zinc/74/01/29/493740129.db2.gz UAQANFAXDHIGLP-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000681210116 493750911 /nfs/dbraw/zinc/75/09/11/493750911.db2.gz IIWSQVIHGNRVQP-SFHVURJKSA-N 2 0 362.518 0.794 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000672305816 493751668 /nfs/dbraw/zinc/75/16/68/493751668.db2.gz FCQFXXIHSLVKLC-ZWKOTPCHSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306652 493752729 /nfs/dbraw/zinc/75/27/29/493752729.db2.gz RQGCEKNUKYQZAJ-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672311308 493754888 /nfs/dbraw/zinc/75/48/88/493754888.db2.gz CUISJHPRWQWUSD-PBHICJAKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935975182 674336306 /nfs/dbraw/zinc/33/63/06/674336306.db2.gz FZTNOYUJNQIGDG-TVFCKZIOSA-N 2 0 351.491 0.951 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000187334090 534309302 /nfs/dbraw/zinc/30/93/02/534309302.db2.gz SZJOLPOWCSPPKN-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419452402 536496640 /nfs/dbraw/zinc/49/66/40/536496640.db2.gz PGAWESRLGNXJRQ-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419444211 536496886 /nfs/dbraw/zinc/49/68/86/536496886.db2.gz CDEYZGCGTBOKPZ-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000410431095 527801805 /nfs/dbraw/zinc/80/18/05/527801805.db2.gz GSCNZDZEOWYNKL-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847518 527805126 /nfs/dbraw/zinc/80/51/26/527805126.db2.gz WOSFUWXOGWOSOL-FUHWJXTLSA-N 2 0 364.534 0.977 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410978438 527829492 /nfs/dbraw/zinc/82/94/92/527829492.db2.gz LFUPSXPSZZXJEL-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000189261242 528189793 /nfs/dbraw/zinc/18/97/93/528189793.db2.gz DPIMBXRAGUJQHT-UHFFFAOYSA-N 2 0 364.494 0.716 20 0 FCADRP CC1CC[NH+](CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000412459427 528230663 /nfs/dbraw/zinc/23/06/63/528230663.db2.gz FFBYNOPMUDRLLQ-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413614556 528437845 /nfs/dbraw/zinc/43/78/45/528437845.db2.gz GSCNNWKLDNISGE-UHFFFAOYSA-N 2 0 369.554 0.766 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413591977 528831484 /nfs/dbraw/zinc/83/14/84/528831484.db2.gz VTEOFMAWMNEGBA-KRWDZBQOSA-N 2 0 369.554 0.811 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000411768899 528996182 /nfs/dbraw/zinc/99/61/82/528996182.db2.gz JICXKZWLBQGUBR-MOPGFXCFSA-N 2 0 353.507 0.885 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413241324 529341390 /nfs/dbraw/zinc/34/13/90/529341390.db2.gz KADSDWMJJIHAPE-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH2+]CC1 ZINC000419224919 535126480 /nfs/dbraw/zinc/12/64/80/535126480.db2.gz FZYNHFFOZKNBCW-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH2+]CC1 ZINC000419224918 535127077 /nfs/dbraw/zinc/12/70/77/535127077.db2.gz FZYNHFFOZKNBCW-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CCCN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000418615047 535219010 /nfs/dbraw/zinc/21/90/10/535219010.db2.gz LISFXNOBJCEYHD-CHWSQXEVSA-N 2 0 351.417 0.606 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423428930 535499224 /nfs/dbraw/zinc/49/92/24/535499224.db2.gz RYHCVYVQBWDKKP-QGZVFWFLSA-N 2 0 368.522 0.533 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419591402 535502312 /nfs/dbraw/zinc/50/23/12/535502312.db2.gz QZDXXDHCJZLHBI-OKZBNKHCSA-N 2 0 358.486 0.930 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423627270 535543282 /nfs/dbraw/zinc/54/32/82/535543282.db2.gz HDYWPCYSPRPYGH-HOTGVXAUSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000423619180 535549640 /nfs/dbraw/zinc/54/96/40/535549640.db2.gz HZOKJOFNTWYXRC-HOTGVXAUSA-N 2 0 354.495 0.286 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000423452726 535549965 /nfs/dbraw/zinc/54/99/65/535549965.db2.gz WSMWFPHGLFTZAL-YJBOKZPZSA-N 2 0 354.495 0.143 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1=O ZINC000424029250 535553518 /nfs/dbraw/zinc/55/35/18/535553518.db2.gz ZEBNRHBLFGOCCY-WCXIOVBPSA-N 2 0 350.507 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@](C)=O)CC1 ZINC000442714274 535594350 /nfs/dbraw/zinc/59/43/50/535594350.db2.gz JOGZYJDIBUAZLT-OWJWWREXSA-N 2 0 358.552 0.955 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000419371977 535668761 /nfs/dbraw/zinc/66/87/61/535668761.db2.gz LWCLUCFJDLJDLU-AEFFLSMTSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369322 535669250 /nfs/dbraw/zinc/66/92/50/535669250.db2.gz HMHCUPLIYASZTF-MSOLQXFVSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446378912 535695771 /nfs/dbraw/zinc/69/57/71/535695771.db2.gz XQJHNQBSTFCHOK-JTDSTZFVSA-N 2 0 352.523 0.663 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446378911 535696634 /nfs/dbraw/zinc/69/66/34/535696634.db2.gz XQJHNQBSTFCHOK-GPMSIDNRSA-N 2 0 352.523 0.663 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419824359 535709854 /nfs/dbraw/zinc/70/98/54/535709854.db2.gz MRAUMLQYQBEXPK-BRWVUGGUSA-N 2 0 367.538 0.010 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423486954 535771111 /nfs/dbraw/zinc/77/11/11/535771111.db2.gz WXFYWGPCSACCTH-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419877819 535862391 /nfs/dbraw/zinc/86/23/91/535862391.db2.gz IVJCIDDANOPDKL-HNNXBMFYSA-N 2 0 352.866 0.708 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423368787 535866801 /nfs/dbraw/zinc/86/68/01/535866801.db2.gz NNZDOQLCYWSEPJ-XIRDDKMYSA-N 2 0 362.474 0.756 20 0 FCADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423711248 535973048 /nfs/dbraw/zinc/97/30/48/535973048.db2.gz MASKKULQVDXDSA-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000416877259 536004297 /nfs/dbraw/zinc/00/42/97/536004297.db2.gz COFTYGMYCRSSKL-QGZVFWFLSA-N 2 0 361.490 0.745 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419667206 536417287 /nfs/dbraw/zinc/41/72/87/536417287.db2.gz XDCJYQBJCUIRAY-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418618910 536446139 /nfs/dbraw/zinc/44/61/39/536446139.db2.gz PCAYXSHWTKYXMK-CQSZACIVSA-N 2 0 365.444 0.854 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000414778407 536469643 /nfs/dbraw/zinc/46/96/43/536469643.db2.gz PZPOMYGXWNPDHQ-KRWDZBQOSA-N 2 0 362.474 0.914 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419769849 536481109 /nfs/dbraw/zinc/48/11/09/536481109.db2.gz WGOPUQOLCBRWGH-MSOLQXFVSA-N 2 0 374.485 0.199 20 0 FCADRP COC[C@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000423788924 536654064 /nfs/dbraw/zinc/65/40/64/536654064.db2.gz DUBUWUZOBBMLAI-IBGZPJMESA-N 2 0 353.507 0.964 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419756481 536746110 /nfs/dbraw/zinc/74/61/10/536746110.db2.gz SGNCZOHVNFWMNN-MRXNPFEDSA-N 2 0 368.522 0.626 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419751278 536746976 /nfs/dbraw/zinc/74/69/76/536746976.db2.gz KEYICNMVKGBXDA-HOCLYGCPSA-N 2 0 368.522 0.626 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419884511 536775272 /nfs/dbraw/zinc/77/52/72/536775272.db2.gz NYUQHXYNDAOYND-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000419872748 536893092 /nfs/dbraw/zinc/89/30/92/536893092.db2.gz CULYUCRKNPLSRM-SZMVWBNQSA-N 2 0 374.485 0.419 20 0 FCADRP CC1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000418505096 546906948 /nfs/dbraw/zinc/90/69/48/546906948.db2.gz CAFZUGPEEFUQMB-LBPRGKRZSA-N 2 0 351.417 0.511 20 0 FCADRP COC[C@]1(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800257 546960372 /nfs/dbraw/zinc/96/03/72/546960372.db2.gz AYMWYGDFBCASOR-SJLPKXTDSA-N 2 0 353.511 0.176 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000549878001 547072790 /nfs/dbraw/zinc/07/27/90/547072790.db2.gz QJWIKLZPTSXPCH-ZDUSSCGKSA-N 2 0 354.495 0.249 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502466 547089362 /nfs/dbraw/zinc/08/93/62/547089362.db2.gz PCACTTPMZFIIDD-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000550690542 547099159 /nfs/dbraw/zinc/09/91/59/547099159.db2.gz JHDKRCFDBZLTGV-RHSMWYFYSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000550690535 547099304 /nfs/dbraw/zinc/09/93/04/547099304.db2.gz JHDKRCFDBZLTGV-PBHICJAKSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550904529 547114726 /nfs/dbraw/zinc/11/47/26/547114726.db2.gz YRBIZWZSMWEPJU-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550904532 547115038 /nfs/dbraw/zinc/11/50/38/547115038.db2.gz YRBIZWZSMWEPJU-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000550957731 547116895 /nfs/dbraw/zinc/11/68/95/547116895.db2.gz NJVKSNUCUUMNPC-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551138542 547127843 /nfs/dbraw/zinc/12/78/43/547127843.db2.gz ZPGOJCHZFOKBPI-IKGGRYGDSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551216970 547135406 /nfs/dbraw/zinc/13/54/06/547135406.db2.gz GNWMGBYSOHQLKL-YJBOKZPZSA-N 2 0 370.563 0.873 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551220730 547135495 /nfs/dbraw/zinc/13/54/95/547135495.db2.gz OERXKUVHUZTMQA-QGZVFWFLSA-N 2 0 356.536 0.484 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551217973 547135860 /nfs/dbraw/zinc/13/58/60/547135860.db2.gz ZSNXHMGDHVUYPJ-VKJFTORMSA-N 2 0 370.563 0.777 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551216968 547136005 /nfs/dbraw/zinc/13/60/05/547136005.db2.gz GNWMGBYSOHQLKL-MAUKXSAKSA-N 2 0 370.563 0.873 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000551329212 547141451 /nfs/dbraw/zinc/14/14/51/547141451.db2.gz MYRDLUQUZAVJMM-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551499699 547149045 /nfs/dbraw/zinc/14/90/45/547149045.db2.gz VWUIBRUBJBCXFA-TWMKSMIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000552191116 547194432 /nfs/dbraw/zinc/19/44/32/547194432.db2.gz SZKUIYRJMMNOEA-GJZGRUSLSA-N 2 0 354.495 0.155 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000552851872 547235873 /nfs/dbraw/zinc/23/58/73/547235873.db2.gz WFEMYIODBORULR-WMLDXEAASA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000552856636 547236201 /nfs/dbraw/zinc/23/62/01/547236201.db2.gz NHCUWCKDBGFVEE-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000553359649 547272429 /nfs/dbraw/zinc/27/24/29/547272429.db2.gz AVGCIQKASYZMBA-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C[C@@H]1C ZINC000553372645 547273737 /nfs/dbraw/zinc/27/37/37/547273737.db2.gz ZSLMOJFKGPHFSS-XHSDSOJGSA-N 2 0 354.495 0.155 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CC[NH+](C)CC1)C2 ZINC000553600002 547293413 /nfs/dbraw/zinc/29/34/13/547293413.db2.gz OQDYQZVQZSHFRR-MQVJKMGUSA-N 2 0 351.495 0.463 20 0 FCADRP Cc1onc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000550638898 547379388 /nfs/dbraw/zinc/37/93/88/547379388.db2.gz RQQPLORASYEFHZ-UHFFFAOYSA-N 2 0 353.467 0.962 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000948962688 674391143 /nfs/dbraw/zinc/39/11/43/674391143.db2.gz SLLIYZBAKLDGIB-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838774 598761423 /nfs/dbraw/zinc/76/14/23/598761423.db2.gz MTUDJCUGRUETIG-PHIMTYICSA-N 2 0 361.837 1.000 20 0 FCADRP C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736859206 599355777 /nfs/dbraw/zinc/35/57/77/599355777.db2.gz XMDHLDOTIMFGOD-GOEBONIOSA-N 2 0 360.462 0.880 20 0 FCADRP CC[NH+]1CCC(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000821242492 599449118 /nfs/dbraw/zinc/44/91/18/599449118.db2.gz TVXNFXJGDDWPJZ-AWEZNQCLSA-N 2 0 359.482 0.817 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000956323582 674521235 /nfs/dbraw/zinc/52/12/35/674521235.db2.gz VTTFCCOZCCSPPV-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091617334 674525955 /nfs/dbraw/zinc/52/59/55/674525955.db2.gz AXDGPJRTAWFODW-UHFFFAOYSA-N 2 0 352.401 0.445 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000897576502 665737724 /nfs/dbraw/zinc/73/77/24/665737724.db2.gz KJUUFFJRVDMSID-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000990002500 665837017 /nfs/dbraw/zinc/83/70/17/665837017.db2.gz TYNXYCUTFHUSDG-PMPSAXMXSA-N 2 0 350.507 0.918 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891356243 663358273 /nfs/dbraw/zinc/35/82/73/663358273.db2.gz HMBQHHGUGBEEGT-HNNXBMFYSA-N 2 0 361.481 0.948 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001022103905 663404743 /nfs/dbraw/zinc/40/47/43/663404743.db2.gz OQQJUGQSVDDXJT-DMRKSPOLSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000891482587 663409007 /nfs/dbraw/zinc/40/90/07/663409007.db2.gz KITJWWOCWKTFMK-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000933848410 663444594 /nfs/dbraw/zinc/44/45/94/663444594.db2.gz TUUDTELVRWXDCU-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP COCCC1(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH2+]CC1 ZINC000891881018 663445995 /nfs/dbraw/zinc/44/59/95/663445995.db2.gz SGDCAGLJSJSPKY-UHFFFAOYSA-N 2 0 355.527 0.470 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000891980253 663461026 /nfs/dbraw/zinc/46/10/26/663461026.db2.gz UMOZLWMMSFVOAN-OAHLLOKOSA-N 2 0 351.495 0.501 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892041749 663469825 /nfs/dbraw/zinc/46/98/25/663469825.db2.gz VBTOOPHXXKLSCF-SJORKVTESA-N 2 0 355.527 0.600 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892080517 663474060 /nfs/dbraw/zinc/47/40/60/663474060.db2.gz ZDUHKPPYNSOWOK-ZACQAIPSSA-N 2 0 353.511 0.080 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892090092 663474999 /nfs/dbraw/zinc/47/49/99/663474999.db2.gz CMRFLJFHRMSDJT-HUUCEWRRSA-N 2 0 351.495 0.500 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[NH2+]C1 ZINC000892106987 663476963 /nfs/dbraw/zinc/47/69/63/663476963.db2.gz FPCAOUWASPJPGZ-STQMWFEESA-N 2 0 365.444 0.900 20 0 FCADRP CCC1([NH3+])CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000892108008 663477191 /nfs/dbraw/zinc/47/71/91/663477191.db2.gz OQIZLEUGDQHCJB-LBPRGKRZSA-N 2 0 351.417 0.735 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108608 663477462 /nfs/dbraw/zinc/47/74/62/663477462.db2.gz UMQHOQMRSCAGEM-CHWSQXEVSA-N 2 0 351.417 0.606 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC000892250843 663499993 /nfs/dbraw/zinc/49/99/93/663499993.db2.gz OHMACSFBWGWQBL-INIZCTEOSA-N 2 0 353.511 0.354 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001023377775 663620316 /nfs/dbraw/zinc/62/03/16/663620316.db2.gz WDEGEPRKVOUYFB-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])[NH2+]C1 ZINC000892384514 663797630 /nfs/dbraw/zinc/79/76/30/663797630.db2.gz MPTDBGUFDJQHIZ-GJZGRUSLSA-N 2 0 353.511 0.794 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21)[NH+](C)C ZINC000972670843 663809457 /nfs/dbraw/zinc/80/94/57/663809457.db2.gz CRWYHXNLSMQZQK-NUJGCVRESA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000892533019 664020831 /nfs/dbraw/zinc/02/08/31/664020831.db2.gz WDJAYZNGMYFDLD-HOCLYGCPSA-N 2 0 352.504 0.746 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000892649785 664059165 /nfs/dbraw/zinc/05/91/65/664059165.db2.gz MAJQUUIQTGRGJY-OWCLPIDISA-N 2 0 351.495 0.132 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000892651518 664059325 /nfs/dbraw/zinc/05/93/25/664059325.db2.gz ZJJYHDAZCMNMEK-HRCADAONSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000973330099 664099235 /nfs/dbraw/zinc/09/92/35/664099235.db2.gz DASZFRUPEJUKBI-KLHDSHLOSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000892764666 664138989 /nfs/dbraw/zinc/13/89/89/664138989.db2.gz VZUNJVZRRFSWBR-PMPSAXMXSA-N 2 0 354.495 0.242 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)C2 ZINC000892879847 664153148 /nfs/dbraw/zinc/15/31/48/664153148.db2.gz VFWGJIYTELKOAJ-GFCCVEGCSA-N 2 0 353.492 0.516 20 0 FCADRP Cc1noc(CNC2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)n1 ZINC001026514388 664239472 /nfs/dbraw/zinc/23/94/72/664239472.db2.gz CEFDMKZOWQJYGD-GALLPEHLSA-N 2 0 351.451 0.614 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)C1 ZINC000976698808 664395470 /nfs/dbraw/zinc/39/54/70/664395470.db2.gz DYJOGBPZIFQWQB-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000977803361 664425040 /nfs/dbraw/zinc/42/50/40/664425040.db2.gz ZYBQEITXWMYLDB-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000978869501 664448376 /nfs/dbraw/zinc/44/83/76/664448376.db2.gz FUNOBQATRRXVDC-DMRKSPOLSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000978869561 664448483 /nfs/dbraw/zinc/44/84/83/664448483.db2.gz GPUPHQPUUNZWEV-DMRKSPOLSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000980018601 664469008 /nfs/dbraw/zinc/46/90/08/664469008.db2.gz UHNWKRNLOXMNCP-WRQOLXDDSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H](C)C(=O)NC)C3)CC[N@@H+]1C ZINC000981778819 664839620 /nfs/dbraw/zinc/83/96/20/664839620.db2.gz RRUIYUQBZQFBGZ-HRCADAONSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000982822382 664928658 /nfs/dbraw/zinc/92/86/58/664928658.db2.gz YRYGTKCTYOTQAP-HLLBOEOZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000924993064 664955271 /nfs/dbraw/zinc/95/52/71/664955271.db2.gz NUCAQCACLUIGCT-JKSUJKDBSA-N 2 0 356.511 0.848 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000937411911 664979651 /nfs/dbraw/zinc/97/96/51/664979651.db2.gz SCAOYHHWZMDCDM-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC000983714334 664985471 /nfs/dbraw/zinc/98/54/71/664985471.db2.gz PXWDVSYZIGFHHR-QUSNUVHPSA-N 2 0 371.547 0.636 20 0 FCADRP CC(C)(C[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1)N1CCOCC1 ZINC000895552473 665049853 /nfs/dbraw/zinc/04/98/53/665049853.db2.gz XORVSADYNGRPEX-UHFFFAOYSA-N 2 0 352.523 0.903 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000985442813 665167656 /nfs/dbraw/zinc/16/76/56/665167656.db2.gz SKXQFOBQYPLAPD-BFYDXBDKSA-N 2 0 371.547 0.684 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001029965871 665219603 /nfs/dbraw/zinc/21/96/03/665219603.db2.gz DCUCYARJJPRVGQ-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000263046193 665228122 /nfs/dbraw/zinc/22/81/22/665228122.db2.gz UBKWCZZMHSCYPS-ZBFHGGJFSA-N 2 0 354.476 0.770 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988101064 665276169 /nfs/dbraw/zinc/27/61/69/665276169.db2.gz BVXHIOWQIDYFQU-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000897443592 665288533 /nfs/dbraw/zinc/28/85/33/665288533.db2.gz XSIPOLXEGWSASG-JKSUJKDBSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988838582 665320035 /nfs/dbraw/zinc/32/00/35/665320035.db2.gz LIFCCQJFFOEONK-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000906412089 666052875 /nfs/dbraw/zinc/05/28/75/666052875.db2.gz RTZBCDFYKAGOFZ-JZXOWHBKSA-N 2 0 352.523 0.580 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000908541718 666211420 /nfs/dbraw/zinc/21/14/20/666211420.db2.gz VMJADBIPCLBXOG-GOSISDBHSA-N 2 0 354.539 0.756 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419160298 674726728 /nfs/dbraw/zinc/72/67/28/674726728.db2.gz YWSHGQKLZSYKKH-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911034505 666307370 /nfs/dbraw/zinc/30/73/70/666307370.db2.gz OJSIUGKVGJLSJY-KLHDSHLOSA-N 2 0 354.495 0.045 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159616 666382778 /nfs/dbraw/zinc/38/27/78/666382778.db2.gz YSNKZYRFRVLZGY-INIZCTEOSA-N 2 0 369.579 0.912 20 0 FCADRP C[NH+](C)CCNC(=S)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000044229875 666443589 /nfs/dbraw/zinc/44/35/89/666443589.db2.gz NOWDLECZFORKTL-UHFFFAOYSA-N 2 0 350.536 0.749 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000991429505 666504511 /nfs/dbraw/zinc/50/45/11/666504511.db2.gz NXIZKWQZGNMCSN-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000913330693 666522009 /nfs/dbraw/zinc/52/20/09/666522009.db2.gz IBOWIYDSFQIBQV-LJQANCHMSA-N 2 0 353.507 0.937 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884933 666530830 /nfs/dbraw/zinc/53/08/30/666530830.db2.gz VNHAQRJJUMNYQJ-XYPHTWIQSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884577 666530878 /nfs/dbraw/zinc/53/08/78/666530878.db2.gz KYDCVQZKNXWVIW-RHSMWYFYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000940297024 666545052 /nfs/dbraw/zinc/54/50/52/666545052.db2.gz ABJFHHSYYOXXNT-ARFHVFGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000941216522 666593620 /nfs/dbraw/zinc/59/36/20/666593620.db2.gz QZSZWWCRIXUBIC-NVXWUHKLSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000941995140 666691917 /nfs/dbraw/zinc/69/19/17/666691917.db2.gz VJNFBUGVHBPYDV-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731490732 666822812 /nfs/dbraw/zinc/82/28/12/666822812.db2.gz RTHCGTBJHUFLRI-INIZCTEOSA-N 2 0 369.579 0.878 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000996604902 666945968 /nfs/dbraw/zinc/94/59/68/666945968.db2.gz XGALGMCQLNLCBG-RRFJBIMHSA-N 2 0 350.463 0.103 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996610091 666947870 /nfs/dbraw/zinc/94/78/70/666947870.db2.gz YCZCCQNAKBCDEQ-HLLBOEOZSA-N 2 0 371.547 0.732 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000916015591 666986937 /nfs/dbraw/zinc/98/69/37/666986937.db2.gz FINHHFCXSLRYPV-UHFFFAOYSA-N 2 0 369.579 0.737 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002248315 667526670 /nfs/dbraw/zinc/52/66/70/667526670.db2.gz OUUDOVGASALGOU-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001002258463 667528620 /nfs/dbraw/zinc/52/86/20/667528620.db2.gz OFFOXAXXEARSBD-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC001003043487 667594203 /nfs/dbraw/zinc/59/42/03/667594203.db2.gz NEWNQRMSVKITRA-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@H](C)C(N)=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597774 667677305 /nfs/dbraw/zinc/67/73/05/667677305.db2.gz JTKDOGMUNXHRGO-UHDSXZAQSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001005408488 667739979 /nfs/dbraw/zinc/73/99/79/667739979.db2.gz ZSCKJKZUPHHJFG-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001005414330 667740447 /nfs/dbraw/zinc/74/04/47/667740447.db2.gz FMPFNFLYRIDQPO-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186463 667775318 /nfs/dbraw/zinc/77/53/18/667775318.db2.gz CYUCGXZHYGFTCQ-BZUAXINKSA-N 2 0 350.507 0.905 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nnc[nH]1 ZINC000923141936 667808461 /nfs/dbraw/zinc/80/84/61/667808461.db2.gz FYFJCZSTWSDHEW-HNNXBMFYSA-N 2 0 351.499 0.795 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923346253 667827290 /nfs/dbraw/zinc/82/72/90/667827290.db2.gz QOXQYDFIJSRMJT-HOTGVXAUSA-N 2 0 353.438 0.885 20 0 FCADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000923354451 667827541 /nfs/dbraw/zinc/82/75/41/667827541.db2.gz OXHJMRDJLBXYBE-UHFFFAOYSA-N 2 0 359.396 0.230 20 0 FCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000923481804 667839884 /nfs/dbraw/zinc/83/98/84/667839884.db2.gz LXUJWNLPQBRWLN-QGZVFWFLSA-N 3 0 352.523 0.808 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006179189 667856414 /nfs/dbraw/zinc/85/64/14/667856414.db2.gz CIWMEMHDUMOAKW-CKEIUWERSA-N 2 0 350.507 0.632 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000763034726 667941210 /nfs/dbraw/zinc/94/12/10/667941210.db2.gz YYUVLOHRBRKZLH-HUUCEWRRSA-N 2 0 352.483 0.206 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000764500905 667985401 /nfs/dbraw/zinc/98/54/01/667985401.db2.gz ASJHCROHMNHUEL-JKSUJKDBSA-N 2 0 367.563 0.584 20 0 FCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000742254589 668030619 /nfs/dbraw/zinc/03/06/19/668030619.db2.gz BNJWDVQQASUTHT-HNNXBMFYSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000774125759 668127921 /nfs/dbraw/zinc/12/79/21/668127921.db2.gz BNJWDVQQASUTHT-OAHLLOKOSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC000772211367 668293688 /nfs/dbraw/zinc/29/36/88/668293688.db2.gz VUQHYFFYJRLBTB-UHFFFAOYSA-N 2 0 355.483 0.672 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC000772271403 668296397 /nfs/dbraw/zinc/29/63/97/668296397.db2.gz CDMNOFHKIOVPNT-UHFFFAOYSA-N 2 0 355.483 0.672 20 0 FCADRP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000778219556 668356027 /nfs/dbraw/zinc/35/60/27/668356027.db2.gz HZONZIJNNTWWHS-HNNXBMFYSA-N 2 0 353.463 0.612 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786594316 668766570 /nfs/dbraw/zinc/76/65/70/668766570.db2.gz JUGNKURSQHKPDD-UHFFFAOYSA-N 2 0 355.870 0.303 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000788252023 668821446 /nfs/dbraw/zinc/82/14/46/668821446.db2.gz NLAYBJIKJHCHEQ-WMLDXEAASA-N 2 0 356.536 0.531 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000788609841 668834656 /nfs/dbraw/zinc/83/46/56/668834656.db2.gz HXGPQMPDJMKJRN-HZPDHXFCSA-N 2 0 353.488 0.890 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701377 668942805 /nfs/dbraw/zinc/94/28/05/668942805.db2.gz PYGVQOJPNMOIEB-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000793701408 668942954 /nfs/dbraw/zinc/94/29/54/668942954.db2.gz QDZIBTHXHOUCIN-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701379 668943019 /nfs/dbraw/zinc/94/30/19/668943019.db2.gz PYGVQOJPNMOIEB-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793713350 668944819 /nfs/dbraw/zinc/94/48/19/668944819.db2.gz ONRUQLSCKPEKGH-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000821459042 669197841 /nfs/dbraw/zinc/19/78/41/669197841.db2.gz FGAMSDZFYHNVAK-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1cccc(F)c1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000807518534 669495446 /nfs/dbraw/zinc/49/54/46/669495446.db2.gz XEBVYRKSVOXBRF-UHFFFAOYSA-N 2 0 352.454 0.702 20 0 FCADRP Cc1ncc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000807937993 669527391 /nfs/dbraw/zinc/52/73/91/669527391.db2.gz RMHFPEONDUOWFP-UHFFFAOYSA-N 2 0 355.508 0.062 20 0 FCADRP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCCCC1 ZINC000841727109 670606930 /nfs/dbraw/zinc/60/69/30/670606930.db2.gz XHPPCCOPWBZNNE-KGLIPLIRSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842050203 670630431 /nfs/dbraw/zinc/63/04/31/670630431.db2.gz PZRLSIYRVVUSRY-CYJAXWMASA-N 2 0 350.507 0.824 20 0 FCADRP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000843071689 670773323 /nfs/dbraw/zinc/77/33/23/670773323.db2.gz BWLMFBLLYBWSHH-AEFFLSMTSA-N 2 0 370.515 0.950 20 0 FCADRP C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843353613 670803948 /nfs/dbraw/zinc/80/39/48/670803948.db2.gz FLYWHRHVAIPYBG-UHFFFAOYSA-N 2 0 368.503 0.194 20 0 FCADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCCN1CCCCCC1=O ZINC000843363776 670807254 /nfs/dbraw/zinc/80/72/54/670807254.db2.gz QCFCLSYQVADVTH-UHFFFAOYSA-N 2 0 350.507 0.971 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)NC(=O)N[C@H]1C ZINC000843388679 670811663 /nfs/dbraw/zinc/81/16/63/670811663.db2.gz WEXBEKGZTNNTBP-MJBXVCDLSA-N 2 0 350.463 0.826 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844171228 670904092 /nfs/dbraw/zinc/90/40/92/670904092.db2.gz NFZSEJNOEPIKLJ-HZPDHXFCSA-N 2 0 352.479 0.004 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000967850310 675164163 /nfs/dbraw/zinc/16/41/63/675164163.db2.gz SKQPAPLUGHJVHX-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000968008556 675176837 /nfs/dbraw/zinc/17/68/37/675176837.db2.gz FESDFWLWLUZHMW-BFYDXBDKSA-N 2 0 350.507 0.728 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000968016309 675178747 /nfs/dbraw/zinc/17/87/47/675178747.db2.gz WZACKDUZHHUGGH-BFYDXBDKSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000849109142 671318256 /nfs/dbraw/zinc/31/82/56/671318256.db2.gz WFHFHUAUYJKLKG-CQSZACIVSA-N 2 0 353.492 0.741 20 0 FCADRP C[N@@H+]1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000849112438 671318694 /nfs/dbraw/zinc/31/86/94/671318694.db2.gz OIRHZQXSXJLTAO-UHFFFAOYSA-N 2 0 356.515 0.651 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000852745922 671523320 /nfs/dbraw/zinc/52/33/20/671523320.db2.gz APQDXRSXTVKVPX-OAHLLOKOSA-N 2 0 352.479 0.751 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853683339 671554196 /nfs/dbraw/zinc/55/41/96/671554196.db2.gz QUVDIGLQZMBNBA-IXDOHACOSA-N 2 0 352.479 0.090 20 0 FCADRP CON(CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000856013934 671674102 /nfs/dbraw/zinc/67/41/02/671674102.db2.gz BPWZXLVBSDUIGA-JKSUJKDBSA-N 2 0 354.495 0.851 20 0 FCADRP CON(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000856014582 671674473 /nfs/dbraw/zinc/67/44/73/671674473.db2.gz LXTGWYSPDWDBAY-UHFFFAOYSA-N 2 0 354.495 0.566 20 0 FCADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713422 675962942 /nfs/dbraw/zinc/96/29/42/675962942.db2.gz PWVILTDKTBBZPF-IAGOWNOFSA-N 3 0 350.507 0.289 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(=O)n(C)cn1 ZINC000888516163 672050518 /nfs/dbraw/zinc/05/05/18/672050518.db2.gz GLSUZMDYRJXSHR-CQSZACIVSA-N 2 0 350.467 0.660 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937433 672088462 /nfs/dbraw/zinc/08/84/62/672088462.db2.gz FXYCTTIXTCMBOP-KEYYUXOJSA-N 2 0 352.458 0.804 20 0 FCADRP [NH3+][C@H]1CCN(c2cccc(CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)n2)C1 ZINC000864797284 672210902 /nfs/dbraw/zinc/21/09/02/672210902.db2.gz VPHDQNZKJYELEF-WCQYABFASA-N 2 0 354.405 0.415 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000866764495 672300871 /nfs/dbraw/zinc/30/08/71/672300871.db2.gz NFYYNZUOEHIRDB-GOSISDBHSA-N 2 0 366.531 0.430 20 0 FCADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055485794 676021328 /nfs/dbraw/zinc/02/13/28/676021328.db2.gz LABBDBQTFGHXKK-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC3CC3)CC2)CC[N@@H+]1C ZINC001055494818 676021339 /nfs/dbraw/zinc/02/13/39/676021339.db2.gz XEOCVNLIEMKPPS-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578194 676024893 /nfs/dbraw/zinc/02/48/93/676024893.db2.gz HNZYRDWHGSVJGU-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141326 672594048 /nfs/dbraw/zinc/59/40/48/672594048.db2.gz FSVKCSYDMPVVMW-IAGOWNOFSA-N 2 0 351.491 0.716 20 0 FCADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923637181 672655338 /nfs/dbraw/zinc/65/53/38/672655338.db2.gz URQQIIVHPGIAMB-ROUUACIJSA-N 2 0 366.531 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056426729 676045692 /nfs/dbraw/zinc/04/56/92/676045692.db2.gz LGVIZALQEWQPKP-QBPKDAKJSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001001420297 676071600 /nfs/dbraw/zinc/07/16/00/676071600.db2.gz GGHOCPFQQRBJJJ-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001050330100 676082053 /nfs/dbraw/zinc/08/20/53/676082053.db2.gz YTIFGHZXUBWXJP-WRQOLXDDSA-N 2 0 350.507 0.822 20 0 FCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877020125 672994043 /nfs/dbraw/zinc/99/40/43/672994043.db2.gz LTYVOLSKOGPVMN-UHFFFAOYSA-N 2 0 354.520 0.697 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923654730 672997017 /nfs/dbraw/zinc/99/70/17/672997017.db2.gz KWPUCJTZDWFGRN-QGZVFWFLSA-N 2 0 352.504 0.385 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878589146 673067699 /nfs/dbraw/zinc/06/76/99/673067699.db2.gz FRGVPPPBQCYRFS-INIZCTEOSA-N 2 0 374.551 0.287 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000879062991 673097191 /nfs/dbraw/zinc/09/71/91/673097191.db2.gz ZNGUCOKTAHZIHN-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCOC)CC3)C2)CC[N@@H+]1C ZINC001052030999 676112973 /nfs/dbraw/zinc/11/29/73/676112973.db2.gz AWLLSNLUDYSKIJ-OKZBNKHCSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001052393038 676122935 /nfs/dbraw/zinc/12/29/35/676122935.db2.gz DIVHJFAGMUTMGY-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CCc1nn(C)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471181 673313854 /nfs/dbraw/zinc/31/38/54/673313854.db2.gz LPVIWZREVXLHOI-ZIAGYGMSSA-N 2 0 357.524 0.342 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000882493457 673316017 /nfs/dbraw/zinc/31/60/17/673316017.db2.gz HRNRASFTRSIOBU-ZYGGUILKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCC(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000883057944 673364420 /nfs/dbraw/zinc/36/44/20/673364420.db2.gz CTIBZFWJSGFSIR-UHFFFAOYSA-N 2 0 351.495 0.596 20 0 FCADRP COC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCCOC1 ZINC000883371528 673372128 /nfs/dbraw/zinc/37/21/28/673372128.db2.gz OBRXIYFXVHLXHD-OTWHNJEPSA-N 2 0 355.523 0.814 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436598 673375434 /nfs/dbraw/zinc/37/54/34/673375434.db2.gz XCMQAIWEUPHEGV-IAGOWNOFSA-N 2 0 354.495 0.650 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000883645878 673388421 /nfs/dbraw/zinc/38/84/21/673388421.db2.gz ZRXDIENKCYDLPG-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413254 673452123 /nfs/dbraw/zinc/45/21/23/673452123.db2.gz NPHHVVWIRZLMSU-GJZGRUSLSA-N 2 0 367.291 0.955 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504057 673457803 /nfs/dbraw/zinc/45/78/03/673457803.db2.gz ZVHSSGNVPITMLO-ZIAGYGMSSA-N 2 0 360.449 0.584 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000884508256 673458220 /nfs/dbraw/zinc/45/82/20/673458220.db2.gz YYHJVXPYRZQSLQ-UHFFFAOYSA-N 2 0 355.527 0.106 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000884576995 673463479 /nfs/dbraw/zinc/46/34/79/673463479.db2.gz VJTWRRVGPNJZKL-CVEARBPZSA-N 2 0 350.438 0.755 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884576597 673463552 /nfs/dbraw/zinc/46/35/52/673463552.db2.gz LDNMDLSSCVQQNP-JHJVBQTASA-N 2 0 364.412 0.430 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884578021 673463562 /nfs/dbraw/zinc/46/35/62/673463562.db2.gz QZEYSAWPTLEYNW-GFCCVEGCSA-N 2 0 365.503 0.477 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884617169 673466164 /nfs/dbraw/zinc/46/61/64/673466164.db2.gz IYIVTHNCNALDPK-UPJWGTAASA-N 2 0 364.412 0.573 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000884616670 673466375 /nfs/dbraw/zinc/46/63/75/673466375.db2.gz AEWBURPGHDKNTD-CKYFFXLPSA-N 2 0 350.385 0.181 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884639306 673468674 /nfs/dbraw/zinc/46/86/74/673468674.db2.gz UTQGBXITCMXIAN-KBPBESRZSA-N 2 0 352.504 0.037 20 0 FCADRP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000884656780 673470077 /nfs/dbraw/zinc/47/00/77/673470077.db2.gz TXNVQFGXSSSFOD-AWEZNQCLSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCCC1 ZINC000884670142 673471182 /nfs/dbraw/zinc/47/11/82/673471182.db2.gz PVNCTYMUNHWLHO-APWZRJJASA-N 2 0 350.507 0.827 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000884716695 673476188 /nfs/dbraw/zinc/47/61/88/673476188.db2.gz GSHWCMDHSFVYLN-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884786336 673481998 /nfs/dbraw/zinc/48/19/98/673481998.db2.gz OCTIWDCXWLFYAO-KBPBESRZSA-N 2 0 360.449 0.584 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884787462 673482375 /nfs/dbraw/zinc/48/23/75/673482375.db2.gz SJOTWGCHHHPDCH-WOPDTQHZSA-N 2 0 350.385 0.183 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884837 673488595 /nfs/dbraw/zinc/48/85/95/673488595.db2.gz MCQDQENPABYLDY-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974128 673494949 /nfs/dbraw/zinc/49/49/49/673494949.db2.gz NDQKCNKHESQPJT-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000884976655 673495279 /nfs/dbraw/zinc/49/52/79/673495279.db2.gz WMIOJERHWAOWRL-LPHOPBHVSA-N 2 0 350.507 0.953 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000884987141 673496195 /nfs/dbraw/zinc/49/61/95/673496195.db2.gz ZCZOCHZGTRNVPW-XYSPPFBYSA-N 2 0 354.495 0.188 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138006 673505180 /nfs/dbraw/zinc/50/51/80/673505180.db2.gz NNPHSECNYJNXCX-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000885275430 673511017 /nfs/dbraw/zinc/51/10/17/673511017.db2.gz FCSHOMGZZQYXIA-ZIAGYGMSSA-N 2 0 358.433 0.434 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000887061178 673617189 /nfs/dbraw/zinc/61/71/89/673617189.db2.gz MTPRFHTZIWGGGB-CABCVRRESA-N 2 0 352.479 0.038 20 0 FCADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887921524 673660788 /nfs/dbraw/zinc/66/07/88/673660788.db2.gz LNUXRHUWZAQPBF-SUNYJGFJSA-N 2 0 354.495 0.851 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000890172853 673710249 /nfs/dbraw/zinc/71/02/49/673710249.db2.gz WSMTWDDEQVVCTK-SHTZXODSSA-N 2 0 362.540 0.477 20 0 FCADRP C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000890508928 673720224 /nfs/dbraw/zinc/72/02/24/673720224.db2.gz BOOUVSMYZXENDK-CABCVRRESA-N 2 0 362.540 0.335 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925042757 673774933 /nfs/dbraw/zinc/77/49/33/673774933.db2.gz VLASLCQIFRRUES-NVXWUHKLSA-N 2 0 372.579 0.805 20 0 FCADRP CC1(C)CN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC[N@@H+]1CCO ZINC000927637776 673873687 /nfs/dbraw/zinc/87/36/87/673873687.db2.gz VURJCBFRYXZHPE-MRXNPFEDSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927638473 673874090 /nfs/dbraw/zinc/87/40/90/673874090.db2.gz BLMFSEFAHSDWLD-YQQAZPJKSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NC2CC2)CC[N@@H+]1C ZINC000968866990 675242256 /nfs/dbraw/zinc/24/22/56/675242256.db2.gz PUDYFAKSVCFMLW-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001011209117 675376880 /nfs/dbraw/zinc/37/68/80/675376880.db2.gz HJPQBDQIMUOCKE-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC[N@@H+]1C ZINC001011210747 675377075 /nfs/dbraw/zinc/37/70/75/675377075.db2.gz NODRTNASTJOWDC-BBWFWOEESA-N 2 0 352.523 0.974 20 0 FCADRP CC(=O)NC1CCC([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001015839972 675399022 /nfs/dbraw/zinc/39/90/22/675399022.db2.gz CMLVPASFSJSKIG-AGERRDQYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001018866247 675417821 /nfs/dbraw/zinc/41/78/21/675417821.db2.gz VFRGUXLPKLLHNU-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001018864991 675417841 /nfs/dbraw/zinc/41/78/41/675417841.db2.gz CTUZLPHRVYZFMG-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001020299346 675440150 /nfs/dbraw/zinc/44/01/50/675440150.db2.gz ITJWQNBSLDWDKN-WTTBNOFXSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001045444719 675653847 /nfs/dbraw/zinc/65/38/47/675653847.db2.gz GRRJHMOPFZSNPE-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000901225677 675772985 /nfs/dbraw/zinc/77/29/85/675772985.db2.gz AWXCSZXRQLWFRD-UHFFFAOYSA-N 2 0 354.539 0.708 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528340 675859556 /nfs/dbraw/zinc/85/95/56/675859556.db2.gz UZLGWUQVBFQLAE-XJTKPRQNSA-N 2 0 350.507 0.950 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579509 1192193961 /nfs/dbraw/zinc/19/39/61/1192193961.db2.gz LZNMVXYOXWFVSZ-LTIDMASMSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000897497140 1192213428 /nfs/dbraw/zinc/21/34/28/1192213428.db2.gz VUMXMPQPXXEVIF-BPQIPLTHSA-N 2 0 371.485 0.862 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000988496425 1192226465 /nfs/dbraw/zinc/22/64/65/1192226465.db2.gz ISWQUMBELFBAQV-HYVNUMGLSA-N 2 0 361.490 0.943 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1nccs1 ZINC001691020143 1168406678 /nfs/dbraw/zinc/40/66/78/1168406678.db2.gz ORXNKDBWQYGULC-CHWSQXEVSA-N 2 0 353.492 0.860 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001691019781 1168407036 /nfs/dbraw/zinc/40/70/36/1168407036.db2.gz HPMNELWWULMOOJ-LSDHHAIUSA-N 2 0 352.479 0.304 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001719580923 1168436213 /nfs/dbraw/zinc/43/62/13/1168436213.db2.gz NLKIDGOWPBHBHA-KSZLIROESA-N 2 0 364.534 0.977 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001021381098 1169185997 /nfs/dbraw/zinc/18/59/97/1169185997.db2.gz AFXACGYJHKAHHL-SLUKUZTOSA-N 2 0 369.473 0.927 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)c2nccnc2N2CC[NH2+]CC2)COC1 ZINC001167365005 1169681247 /nfs/dbraw/zinc/68/12/47/1169681247.db2.gz JVEYGYYJQGZUCN-UHFFFAOYSA-N 2 0 354.458 0.621 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104294748 1169690836 /nfs/dbraw/zinc/69/08/36/1169690836.db2.gz ZLYFGGRDVSHNDY-ZIAGYGMSSA-N 2 0 364.494 0.167 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001021635730 1169856311 /nfs/dbraw/zinc/85/63/11/1169856311.db2.gz DXKYDMMFFDMVMM-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001266622392 1169880990 /nfs/dbraw/zinc/88/09/90/1169880990.db2.gz BQOASHPZWLUGJK-FDYHWXHSSA-N 2 0 358.402 0.387 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365878 1170074893 /nfs/dbraw/zinc/07/48/93/1170074893.db2.gz QSWBPCZUQKSWKG-MIGQKNRLSA-N 2 0 363.462 0.047 20 0 FCADRP C[NH+]1CCCN(c2nc(NC3CC3)nc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000891438513 1170413516 /nfs/dbraw/zinc/41/35/16/1170413516.db2.gz NJUHFDKIUMHWSR-UHFFFAOYSA-N 2 0 360.510 0.152 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000971568052 1170547742 /nfs/dbraw/zinc/54/77/42/1170547742.db2.gz PVXBQAAPCXNTKW-BRWVUGGUSA-N 2 0 360.502 0.768 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022211975 1170755681 /nfs/dbraw/zinc/75/56/81/1170755681.db2.gz XKIIAVDQTZSRKM-RYQLBKOJSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891646410 1170781115 /nfs/dbraw/zinc/78/11/15/1170781115.db2.gz KZDGANQYIFJDIR-QCODTGAPSA-N 2 0 365.478 0.436 20 0 FCADRP C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C[NH+](C)C ZINC000891663653 1170802686 /nfs/dbraw/zinc/80/26/86/1170802686.db2.gz BSKCGGWBCXYPIE-XQLPTFJDSA-N 2 0 367.494 0.539 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022313851 1170849278 /nfs/dbraw/zinc/84/92/78/1170849278.db2.gz ZCUIVVBNQNAZCX-HLLBOEOZSA-N 2 0 359.474 0.662 20 0 FCADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCc2nccn2C)C1)c1nnnn1C ZINC001691240029 1170879202 /nfs/dbraw/zinc/87/92/02/1170879202.db2.gz NPHIIDNHKDZJPQ-MELADBBJSA-N 2 0 360.466 0.512 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001691251042 1170889005 /nfs/dbraw/zinc/88/90/05/1170889005.db2.gz JVENTOIYJPXSAG-HYVNUMGLSA-N 2 0 350.507 0.729 20 0 FCADRP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001691763510 1170965860 /nfs/dbraw/zinc/96/58/60/1170965860.db2.gz UTSFHGCMDUHOJC-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855623 1170987632 /nfs/dbraw/zinc/98/76/32/1170987632.db2.gz LGHUULIYFFKPRN-IRXDYDNUSA-N 2 0 368.522 0.945 20 0 FCADRP CN1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+](C)CC1 ZINC000891882121 1171040856 /nfs/dbraw/zinc/04/08/56/1171040856.db2.gz NPTNLALTPHKRNG-UHFFFAOYSA-N 2 0 359.518 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104385409 1171064180 /nfs/dbraw/zinc/06/41/80/1171064180.db2.gz URPJTOYZOUNLKS-HZPDHXFCSA-N 2 0 362.518 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C[NH2+]CCCO ZINC001691323575 1171095943 /nfs/dbraw/zinc/09/59/43/1171095943.db2.gz MUVABWCLWHMDQY-BFYDXBDKSA-N 2 0 350.463 0.281 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001691370206 1171221104 /nfs/dbraw/zinc/22/11/04/1171221104.db2.gz HUMQBXBEVBBTMC-IKGGRYGDSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001691370468 1171222539 /nfs/dbraw/zinc/22/25/39/1171222539.db2.gz RQDWZVDEWATBBB-IKGGRYGDSA-N 2 0 368.522 0.138 20 0 FCADRP CCOCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691419359 1171287556 /nfs/dbraw/zinc/28/75/56/1171287556.db2.gz ULRAEESPMZWKEP-TZMCWYRMSA-N 2 0 351.451 0.265 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891976050 1171379725 /nfs/dbraw/zinc/37/97/25/1171379725.db2.gz IMDXJIYIDKAQGX-KRWDZBQOSA-N 2 0 367.538 0.744 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892100810 1171580680 /nfs/dbraw/zinc/58/06/80/1171580680.db2.gz NITXIXVMMSJCRF-SFHVURJKSA-N 2 0 365.522 0.392 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972144883 1171799949 /nfs/dbraw/zinc/79/99/49/1171799949.db2.gz UXDIZZZWCLIMRK-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001104409190 1171804918 /nfs/dbraw/zinc/80/49/18/1171804918.db2.gz WGRGYGPVKZXYGW-RBSFLKMASA-N 2 0 370.457 0.829 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]21 ZINC001022718014 1171806650 /nfs/dbraw/zinc/80/66/50/1171806650.db2.gz QYSNEOLIJWROGS-HLLBOEOZSA-N 2 0 359.474 0.506 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4cncn4C)C[C@H]32)C1 ZINC001022719981 1171811202 /nfs/dbraw/zinc/81/12/02/1171811202.db2.gz DIZUMIMGLGQJAL-YQQAZPJKSA-N 2 0 359.474 0.364 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087208601 1171823491 /nfs/dbraw/zinc/82/34/91/1171823491.db2.gz NMACUBIGEDGWJH-VNQPRFMTSA-N 2 0 364.490 0.350 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC000972253596 1171889603 /nfs/dbraw/zinc/88/96/03/1171889603.db2.gz QHVDGSSDOHVLRD-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP Cn1cncc1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083248748 1172005682 /nfs/dbraw/zinc/00/56/82/1172005682.db2.gz WFAJBUUHKGSOLP-IPMKNSEASA-N 2 0 370.453 0.608 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000988949585 1192585973 /nfs/dbraw/zinc/58/59/73/1192585973.db2.gz ZHAFODJENOAWBW-XOKHGSTOSA-N 2 0 371.441 0.384 20 0 FCADRP Cc1cncn1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000989026153 1192632124 /nfs/dbraw/zinc/63/21/24/1192632124.db2.gz DRJVYSJDZWSKQT-CVEARBPZSA-N 2 0 359.474 0.926 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000989050346 1192647412 /nfs/dbraw/zinc/64/74/12/1192647412.db2.gz WFHFXJDLLJVSHH-IKGGRYGDSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989066396 1192670479 /nfs/dbraw/zinc/67/04/79/1192670479.db2.gz GLJGAVBJTXUYRA-YCPHGPKFSA-N 2 0 359.474 0.819 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842038416 1192862276 /nfs/dbraw/zinc/86/22/76/1192862276.db2.gz OANCEAVZFNLOQE-QRVBRYPASA-N 2 0 370.497 0.835 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001691570472 1192887004 /nfs/dbraw/zinc/88/70/04/1192887004.db2.gz HASSLRKTZILAAM-MSOLQXFVSA-N 2 0 353.507 0.772 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573438 1192889191 /nfs/dbraw/zinc/88/91/91/1192889191.db2.gz TYTIHMZVCPQGAA-IXDOHACOSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104450159 1178883009 /nfs/dbraw/zinc/88/30/09/1178883009.db2.gz YYCPQJNOLILSFW-QRQLOZEOSA-N 2 0 367.534 0.944 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001023215360 1179227670 /nfs/dbraw/zinc/22/76/70/1179227670.db2.gz XPWCDAKQKWUMNX-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104482319 1179434986 /nfs/dbraw/zinc/43/49/86/1179434986.db2.gz KARSDMPGAHWBCK-ZIAGYGMSSA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444879 1179747903 /nfs/dbraw/zinc/74/79/03/1179747903.db2.gz ZEPDSAZXTAELJL-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023690822 1180111668 /nfs/dbraw/zinc/11/16/68/1180111668.db2.gz WJISEACDBCSUTK-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[NH2+]C1 ZINC000892384814 1180181919 /nfs/dbraw/zinc/18/19/19/1180181919.db2.gz PMUVUXZYGFEAKP-HZPDHXFCSA-N 2 0 365.522 0.618 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21)C1CC1 ZINC000972648299 1180185486 /nfs/dbraw/zinc/18/54/86/1180185486.db2.gz FWHMCCOBPUSZKL-SUMDDJOVSA-N 2 0 362.518 0.870 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3cncn3C)C[C@H]21)[NH+](C)C ZINC000972664767 1180214139 /nfs/dbraw/zinc/21/41/39/1180214139.db2.gz LSURQDXOMSJKRB-KYJSFNMBSA-N 2 0 361.490 0.608 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001023993433 1180730142 /nfs/dbraw/zinc/73/01/42/1180730142.db2.gz FUMPQZJJDSCGEW-IIAWOOMASA-N 2 0 361.494 0.676 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2)C(=O)NC(N)=O ZINC001112519245 1180862729 /nfs/dbraw/zinc/86/27/29/1180862729.db2.gz BNRHGJVCWPFMHH-DEYYWGMASA-N 2 0 367.494 0.130 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000892435812 1180904125 /nfs/dbraw/zinc/90/41/25/1180904125.db2.gz GJCOBYCSYKILEQ-QAETUUGQSA-N 2 0 365.522 0.794 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001024448387 1181181333 /nfs/dbraw/zinc/18/13/33/1181181333.db2.gz LNWFOVBHLWJUFM-YESZJQIVSA-N 2 0 365.522 0.713 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000892497861 1181356269 /nfs/dbraw/zinc/35/62/69/1181356269.db2.gz ZEAOTFCNLMDPKS-INIZCTEOSA-N 2 0 365.522 0.714 20 0 FCADRP COc1ccc(CCNC(=[NH2+])NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000066246045 1181605395 /nfs/dbraw/zinc/60/53/95/1181605395.db2.gz FIBNTFNJDNDCTP-INIZCTEOSA-N 2 0 361.490 0.939 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892518854 1181708567 /nfs/dbraw/zinc/70/85/67/1181708567.db2.gz BHVCTQWVKMVHGT-INIZCTEOSA-N 2 0 357.462 0.962 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CCC1 ZINC000972989762 1181851477 /nfs/dbraw/zinc/85/14/77/1181851477.db2.gz KNCCWHYNOWTHJK-SJLPKXTDSA-N 2 0 362.518 0.872 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621193 1182290433 /nfs/dbraw/zinc/29/04/33/1182290433.db2.gz BTMHCVQXUOYMNU-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625632 1182302014 /nfs/dbraw/zinc/30/20/14/1182302014.db2.gz WACQWIVICZLSFY-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001104680734 1182362176 /nfs/dbraw/zinc/36/21/76/1182362176.db2.gz WLURBELYMAFMSC-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)n1ccnc1 ZINC001104738423 1182410862 /nfs/dbraw/zinc/41/08/62/1182410862.db2.gz UXRIOQVWVJZFIQ-QLFBSQMISA-N 2 0 360.466 0.632 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892754870 1182480059 /nfs/dbraw/zinc/48/00/59/1182480059.db2.gz CHVVJTAVSLGLFK-HOTGVXAUSA-N 2 0 366.506 0.603 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892759139 1182482095 /nfs/dbraw/zinc/48/20/95/1182482095.db2.gz IBXIVPGHSAPCQL-IAGOWNOFSA-N 2 0 368.522 0.897 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522862 1182617181 /nfs/dbraw/zinc/61/71/81/1182617181.db2.gz RKCJFMLUKKRKPO-YJBOKZPZSA-N 2 0 363.510 0.753 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC[N@@H+]1C ZINC001025794966 1182846909 /nfs/dbraw/zinc/84/69/09/1182846909.db2.gz HHURMACZLIIXHX-HTPGKPQGSA-N 2 0 361.490 0.021 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001104872740 1182969956 /nfs/dbraw/zinc/96/99/56/1182969956.db2.gz YIMGNZMXEDQCFG-HUUCEWRRSA-N 2 0 363.510 0.924 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001104908161 1182990954 /nfs/dbraw/zinc/99/09/54/1182990954.db2.gz LZFVRZWYVZPJFV-OWCLPIDISA-N 2 0 366.510 0.529 20 0 FCADRP CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001104908156 1182991135 /nfs/dbraw/zinc/99/11/35/1182991135.db2.gz LWFBHTMCCTXGHH-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nc1 ZINC001104908495 1182991292 /nfs/dbraw/zinc/99/12/92/1182991292.db2.gz ZGZODQXABMZCBU-IAGOWNOFSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001104924466 1183000613 /nfs/dbraw/zinc/00/06/13/1183000613.db2.gz NUAIDMPFPIUKHO-BZUAXINKSA-N 2 0 366.506 0.598 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001104967517 1183025662 /nfs/dbraw/zinc/02/56/62/1183025662.db2.gz SKKMAMYMVPFLCH-HZPDHXFCSA-N 2 0 363.506 0.952 20 0 FCADRP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001105010674 1183068075 /nfs/dbraw/zinc/06/80/75/1183068075.db2.gz VNXURULIRXIEBF-OLMNPRSZSA-N 2 0 362.522 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105010192 1183068349 /nfs/dbraw/zinc/06/83/49/1183068349.db2.gz BJASBSDSXLGTGF-KFWWJZLASA-N 2 0 363.462 0.639 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105016963 1183070680 /nfs/dbraw/zinc/07/06/80/1183070680.db2.gz IXPLLXRTYJSSHM-KZNAEPCWSA-N 2 0 371.522 0.038 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523160 1183338102 /nfs/dbraw/zinc/33/81/02/1183338102.db2.gz FVSMGWCDOCLOAR-LNLFQRSKSA-N 2 0 371.522 0.180 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523161 1183338834 /nfs/dbraw/zinc/33/88/34/1183338834.db2.gz FVSMGWCDOCLOAR-SCTDSRPQSA-N 2 0 371.522 0.180 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974573459 1183354426 /nfs/dbraw/zinc/35/44/26/1183354426.db2.gz SFIYRTCQNVSQNL-IAGOWNOFSA-N 2 0 360.502 0.770 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001026852733 1183415797 /nfs/dbraw/zinc/41/57/97/1183415797.db2.gz PWDGEJGGBSSRNI-RBSFLKMASA-N 2 0 363.510 0.706 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975201995 1183761444 /nfs/dbraw/zinc/76/14/44/1183761444.db2.gz AZHBLMNFMDOAGK-KBAYOESNSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000975313089 1183834057 /nfs/dbraw/zinc/83/40/57/1183834057.db2.gz YLIFZLFDLIQQHG-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CC1 ZINC000975759158 1185727174 /nfs/dbraw/zinc/72/71/74/1185727174.db2.gz PLPCAFNACLIDSD-IEZWGBDMSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000978874068 1186016882 /nfs/dbraw/zinc/01/68/82/1186016882.db2.gz JAPYLIKEVFKRGL-YGTYDBBMSA-N 2 0 362.518 0.679 20 0 FCADRP CCN1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978882495 1186020740 /nfs/dbraw/zinc/02/07/40/1186020740.db2.gz HHFDGTPHBAYTAH-UUAJXVIYSA-N 2 0 366.506 0.058 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000077818818 1186072323 /nfs/dbraw/zinc/07/23/23/1186072323.db2.gz VGZZNEMKJAGAMH-UHFFFAOYSA-N 2 0 373.501 0.979 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112529486 1186083251 /nfs/dbraw/zinc/08/32/51/1186083251.db2.gz BFROENWTPUOGSS-UWVAXJGDSA-N 2 0 362.518 0.779 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001027893302 1186197545 /nfs/dbraw/zinc/19/75/45/1186197545.db2.gz RTJQMXCVDGYBRP-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP COc1cc(CN2CCC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)ccn1 ZINC001027966394 1186242024 /nfs/dbraw/zinc/24/20/24/1186242024.db2.gz OSBFLTJAOVLZGV-DJIMGWMZSA-N 2 0 362.474 0.890 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N2CCCC2)C3)CC[N@@H+]1C ZINC000981776073 1186516635 /nfs/dbraw/zinc/51/66/35/1186516635.db2.gz FSBDPVYVDNVDJF-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001211707137 1186676111 /nfs/dbraw/zinc/67/61/11/1186676111.db2.gz BWLPYIPFYMOQFE-ZWKOTPCHSA-N 2 0 370.497 0.803 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211709535 1186685670 /nfs/dbraw/zinc/68/56/70/1186685670.db2.gz PQHBJXDHGJXZAL-HYVNUMGLSA-N 2 0 362.474 0.023 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732404 1187519286 /nfs/dbraw/zinc/51/92/86/1187519286.db2.gz FTTDKZHUOJRINM-CEXWTWQISA-N 2 0 363.502 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001482056032 1187593424 /nfs/dbraw/zinc/59/34/24/1187593424.db2.gz UZXINOUDXLLLLJ-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420158213 1187797982 /nfs/dbraw/zinc/79/79/82/1187797982.db2.gz CEXXLXYQZVMEIK-NXHRZFHOSA-N 2 0 358.486 0.691 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818497 1187921371 /nfs/dbraw/zinc/92/13/71/1187921371.db2.gz UKUJRTVSDPHSQC-JQHSSLGASA-N 2 0 358.486 0.516 20 0 FCADRP CN(CC(=O)N[C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2)C(N)=[NH2+] ZINC001269992400 1187961539 /nfs/dbraw/zinc/96/15/39/1187961539.db2.gz JNMNOIVWTKWNMF-MSOLQXFVSA-N 2 0 360.462 0.664 20 0 FCADRP C[NH+](C)CCC(=O)N1Cc2[nH]nc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001270061594 1187985762 /nfs/dbraw/zinc/98/57/62/1187985762.db2.gz PXNNPDWGULDFAF-UHFFFAOYSA-N 2 0 362.478 0.370 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)C2CC[NH+](C)CC2)CC1 ZINC001270103172 1188010985 /nfs/dbraw/zinc/01/09/85/1188010985.db2.gz XHTFTWZNBGXKRV-OXJNMPFZSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001270121224 1188021187 /nfs/dbraw/zinc/02/11/87/1188021187.db2.gz ZYTISBZRVJOITC-OXJNMPFZSA-N 2 0 362.518 0.920 20 0 FCADRP Cn1cncc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001270155695 1188033622 /nfs/dbraw/zinc/03/36/22/1188033622.db2.gz QJEWQEBIHIIKAW-CVEARBPZSA-N 2 0 359.474 0.759 20 0 FCADRP CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)c1cccc3c[nH+]cn31)C2 ZINC001270369171 1188123692 /nfs/dbraw/zinc/12/36/92/1188123692.db2.gz QBJTZHGLGGZHAK-UHFFFAOYSA-N 2 0 355.442 0.961 20 0 FCADRP Cn1cncc1CN1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270491780 1188172283 /nfs/dbraw/zinc/17/22/83/1188172283.db2.gz XYRNKCMTFSMPFT-OAHLLOKOSA-N 2 0 359.474 0.713 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)NCCn3ccnc3)CC2)C1 ZINC001270491731 1188172485 /nfs/dbraw/zinc/17/24/85/1188172485.db2.gz XDMMVMRRIZJTLQ-JKSUJKDBSA-N 2 0 359.474 0.580 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1 ZINC001280246457 1188197800 /nfs/dbraw/zinc/19/78/00/1188197800.db2.gz ZCIIMKUIGDPBOW-HXUWFJFHSA-N 3 0 367.582 0.352 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030735 1188212735 /nfs/dbraw/zinc/21/27/35/1188212735.db2.gz MQWNRXLZXPHMRD-CRAIPNDOSA-N 2 0 374.485 0.767 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)C ZINC001691507664 1188216527 /nfs/dbraw/zinc/21/65/27/1188216527.db2.gz KPYQYVUGVSLICL-JKSUJKDBSA-N 2 0 354.495 0.155 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)Cc1ccccc1 ZINC000550136468 1188233114 /nfs/dbraw/zinc/23/31/14/1188233114.db2.gz FSECUTPZWKJHST-QGZVFWFLSA-N 2 0 369.469 0.952 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550139563 1188233875 /nfs/dbraw/zinc/23/38/75/1188233875.db2.gz LXCOFPLXBFGDEU-UHFFFAOYSA-N 2 0 368.522 0.596 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001270668197 1188250203 /nfs/dbraw/zinc/25/02/03/1188250203.db2.gz UFHWGBVUAUGQBB-GOSISDBHSA-N 2 0 360.502 0.661 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001270668198 1188250294 /nfs/dbraw/zinc/25/02/94/1188250294.db2.gz UFHWGBVUAUGQBB-SFHVURJKSA-N 2 0 360.502 0.661 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001029101896 1188271808 /nfs/dbraw/zinc/27/18/08/1188271808.db2.gz QIHJUWKOQQFOGZ-CWRNSKLLSA-N 2 0 363.510 0.657 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001075800197 1189367043 /nfs/dbraw/zinc/36/70/43/1189367043.db2.gz RRZJFIMCFBBLIL-IPMKNSEASA-N 2 0 370.497 0.760 20 0 FCADRP COc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000984011408 1189369921 /nfs/dbraw/zinc/36/99/21/1189369921.db2.gz DDAHPEMJGGGNOC-IXYNUQLISA-N 2 0 363.462 0.189 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001087529576 1189384086 /nfs/dbraw/zinc/38/40/86/1189384086.db2.gz METOOVCKBWLHGX-OTWHNJEPSA-N 2 0 361.486 0.979 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550458517 1189503232 /nfs/dbraw/zinc/50/32/32/1189503232.db2.gz ZDFDIAFVCJANNB-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087573975 1189609440 /nfs/dbraw/zinc/60/94/40/1189609440.db2.gz MVPBSOQFEDCAMV-FGTMMUONSA-N 2 0 362.518 0.918 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000550517689 1189809760 /nfs/dbraw/zinc/80/97/60/1189809760.db2.gz IISIAAYOLMHAJH-HNNXBMFYSA-N 2 0 368.522 0.281 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001087966630 1190021571 /nfs/dbraw/zinc/02/15/71/1190021571.db2.gz MNJBIEXPPLLFAP-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)N1CCC1 ZINC001087968846 1190029166 /nfs/dbraw/zinc/02/91/66/1190029166.db2.gz NRMZKNKFWCAPDD-SQNIBIBYSA-N 2 0 360.502 0.341 20 0 FCADRP CCc1nnc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1C ZINC001087971611 1190032338 /nfs/dbraw/zinc/03/23/38/1190032338.db2.gz JPFGVWOIZYLMPQ-WCXIOVBPSA-N 2 0 374.533 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971111 1190036324 /nfs/dbraw/zinc/03/63/24/1190036324.db2.gz DOUJFGKIHRYGSP-ZJPYXAASSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896711271 1190118020 /nfs/dbraw/zinc/11/80/20/1190118020.db2.gz CESPFFLWMOVABI-LJQANCHMSA-N 2 0 373.497 0.980 20 0 FCADRP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001087992382 1190142182 /nfs/dbraw/zinc/14/21/82/1190142182.db2.gz RMKGBWZXRIJGIQ-ZIFCJYIRSA-N 2 0 365.518 0.793 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1)NC1CC1 ZINC001088026542 1190262203 /nfs/dbraw/zinc/26/22/03/1190262203.db2.gz PUZRCKSZRGMDPV-CVEARBPZSA-N 2 0 360.502 0.674 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088042094 1190299619 /nfs/dbraw/zinc/29/96/19/1190299619.db2.gz XNFIPJZNIYTLAI-FMKPAKJESA-N 2 0 355.442 0.863 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088042095 1190300318 /nfs/dbraw/zinc/30/03/18/1190300318.db2.gz XNFIPJZNIYTLAI-LZWOXQAQSA-N 2 0 355.442 0.863 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081967 1190466610 /nfs/dbraw/zinc/46/66/10/1190466610.db2.gz MYORWZVRMCSNQL-FJIDUMEYSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088083861 1190478699 /nfs/dbraw/zinc/47/86/99/1190478699.db2.gz MUCKZRMGKBKGHQ-VNQPRFMTSA-N 2 0 360.458 0.624 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088106440 1190588681 /nfs/dbraw/zinc/58/86/81/1190588681.db2.gz ZVGSWQGVYBWUGU-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)C1=O ZINC001088121759 1190616649 /nfs/dbraw/zinc/61/66/49/1190616649.db2.gz WLZWDSBTZNSLSY-VYDXJSESSA-N 2 0 359.474 0.742 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088130600 1190632543 /nfs/dbraw/zinc/63/25/43/1190632543.db2.gz WOHUJUTWPOHYER-SQNIBIBYSA-N 2 0 362.518 0.777 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088150648 1190674035 /nfs/dbraw/zinc/67/40/35/1190674035.db2.gz ONTQQSZGCFPGBZ-SQNIBIBYSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC000986196399 1190919605 /nfs/dbraw/zinc/91/96/05/1190919605.db2.gz RKOUQONAAKWISY-ZJPYXAASSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281914 1190944025 /nfs/dbraw/zinc/94/40/25/1190944025.db2.gz DSQKAYCYKLABHY-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986368139 1190971025 /nfs/dbraw/zinc/97/10/25/1190971025.db2.gz VWDLEINJRNUXDC-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@H]2CCN(C(=O)CCn3ccnc3)C[C@H]2C1 ZINC000986404122 1190974455 /nfs/dbraw/zinc/97/44/55/1190974455.db2.gz VBWWKPGWWMMQRC-SJORKVTESA-N 2 0 370.457 0.785 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NCCN3CCO[C@H](C)C3)CC2)c1 ZINC000729605492 1191119666 /nfs/dbraw/zinc/11/96/66/1191119666.db2.gz KAHSNGOUUSXMJA-OAHLLOKOSA-N 2 0 363.462 0.643 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088568588 1191206423 /nfs/dbraw/zinc/20/64/23/1191206423.db2.gz NUEGPVDKQRIZIQ-KBMXLJTQSA-N 2 0 362.474 0.056 20 0 FCADRP O=C(CCN1CC[NH2+]CC1)c1ccc2nc(O[C@H]3C[NH2+]C[C@@H]3F)oc2c1 ZINC001218015648 1224135614 /nfs/dbraw/zinc/13/56/14/1224135614.db2.gz WNXPTJMRONZSIH-GUYCJALGSA-N 2 0 362.405 0.995 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305323 1224153022 /nfs/dbraw/zinc/15/30/22/1224153022.db2.gz CVTJOWVMOYJRLW-LLVKDONJSA-N 2 0 364.446 0.814 20 0 FCADRP O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218511126 1224165950 /nfs/dbraw/zinc/16/59/50/1224165950.db2.gz QVWRWJXLPHFXPY-HNNXBMFYSA-N 2 0 373.457 0.367 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001088703037 1193803146 /nfs/dbraw/zinc/80/31/46/1193803146.db2.gz YCDDIZXQNFHZRL-PMPSAXMXSA-N 2 0 358.490 0.973 20 0 FCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCOCCO)C1 ZINC001691621548 1193807358 /nfs/dbraw/zinc/80/73/58/1193807358.db2.gz XVZLRWJLXNEYKZ-ARFHVFGLSA-N 2 0 350.463 0.883 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550902378 1193819508 /nfs/dbraw/zinc/81/95/08/1193819508.db2.gz HSPCMPSYFBEVIA-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000550945796 1193821796 /nfs/dbraw/zinc/82/17/96/1193821796.db2.gz GVTQVGXBJCTZQV-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000550986093 1193824672 /nfs/dbraw/zinc/82/46/72/1193824672.db2.gz MYRIUOQFXPMHOT-GDBMZVCRSA-N 2 0 364.490 0.971 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000551043333 1193830362 /nfs/dbraw/zinc/83/03/62/1193830362.db2.gz VFNPTOQTTQIDKZ-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551135276 1193834810 /nfs/dbraw/zinc/83/48/10/1193834810.db2.gz BZXPVMHTDWKZLK-BBWFWOEESA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551139970 1193836675 /nfs/dbraw/zinc/83/66/75/1193836675.db2.gz OBKHIGKWMCJVJM-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658761 1193861478 /nfs/dbraw/zinc/86/14/78/1193861478.db2.gz JOBWOVDSKCUISD-VVWQDTPRSA-N 2 0 368.522 0.040 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)n1 ZINC001083470453 1193867326 /nfs/dbraw/zinc/86/73/26/1193867326.db2.gz SWJCPLIJIVSULF-CABCVRRESA-N 2 0 371.432 0.265 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694705 1193867477 /nfs/dbraw/zinc/86/74/77/1193867477.db2.gz WMHSNIUZNGZOJI-IAGOWNOFSA-N 3 0 369.554 0.175 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1Cc1ccnn1C ZINC001088757206 1193891550 /nfs/dbraw/zinc/89/15/50/1193891550.db2.gz NKAVUIWOEXFWDD-GHONMVHDSA-N 2 0 359.474 0.362 20 0 FCADRP Cc1oncc1CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757452 1193892512 /nfs/dbraw/zinc/89/25/12/1193892512.db2.gz ZYCWXMLHSAUGEX-AJTSGFOTSA-N 2 0 360.458 0.925 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000552175785 1193910492 /nfs/dbraw/zinc/91/04/92/1193910492.db2.gz LELVLRDSZBLEFE-LSDHHAIUSA-N 2 0 364.490 0.051 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000553098179 1193971328 /nfs/dbraw/zinc/97/13/28/1193971328.db2.gz NJFBBGJJYFAUPM-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])cc12 ZINC001218615905 1224182516 /nfs/dbraw/zinc/18/25/16/1224182516.db2.gz UMYWAUUJORVLLY-GJZGRUSLSA-N 2 0 373.461 0.652 20 0 FCADRP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)ccn2)c1 ZINC001218621792 1224183083 /nfs/dbraw/zinc/18/30/83/1224183083.db2.gz MRKZPCSNGMLJCC-INIZCTEOSA-N 2 0 372.429 0.709 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553603037 1194010417 /nfs/dbraw/zinc/01/04/17/1194010417.db2.gz ZYGGUXVRAZVCBL-UHFFFAOYSA-N 2 0 366.506 0.302 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000553712361 1194016139 /nfs/dbraw/zinc/01/61/39/1194016139.db2.gz QUKQOISXHUZQBY-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1noc2cnccc21 ZINC001218644769 1224187696 /nfs/dbraw/zinc/18/76/96/1224187696.db2.gz AYDNJYFIZJBIMF-STQMWFEESA-N 2 0 360.418 0.609 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645004 1224188506 /nfs/dbraw/zinc/18/85/06/1224188506.db2.gz BAMBEYCMZMJEMO-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCOC23CCOCC3)C[C@H]1C[NH+](C)C ZINC000898774138 1194074950 /nfs/dbraw/zinc/07/49/50/1194074950.db2.gz DHQMYQRBISAPHK-ZACQAIPSSA-N 2 0 368.522 0.705 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228928 1194108117 /nfs/dbraw/zinc/10/81/17/1194108117.db2.gz CNLASKUIDUYQJT-GOSISDBHSA-N 2 0 360.502 0.994 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000842226201 1194108207 /nfs/dbraw/zinc/10/82/07/1194108207.db2.gz GWJSHWXFAUDDLD-GOSISDBHSA-N 2 0 360.502 0.735 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)C2)CC1 ZINC000842229535 1194108848 /nfs/dbraw/zinc/10/88/48/1194108848.db2.gz QPCOZXZZMFFMNZ-IBGZPJMESA-N 2 0 372.513 0.994 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C1 ZINC001218696094 1224198497 /nfs/dbraw/zinc/19/84/97/1224198497.db2.gz MWMBSJHWTDALAD-MRXNPFEDSA-N 2 0 360.506 0.821 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001218702565 1224199736 /nfs/dbraw/zinc/19/97/36/1224199736.db2.gz UDQLRMYGPBUEOE-INIZCTEOSA-N 2 0 356.430 0.538 20 0 FCADRP Nc1cn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708771 1224201182 /nfs/dbraw/zinc/20/11/82/1224201182.db2.gz HJIMNNSOVUKYGK-QGZVFWFLSA-N 2 0 372.448 0.746 20 0 FCADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076029408 1194255394 /nfs/dbraw/zinc/25/53/94/1194255394.db2.gz LLJRVPXUWBDEAF-RRQGHBQHSA-N 2 0 366.425 0.302 20 0 FCADRP Cc1cncn1CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076049605 1194267237 /nfs/dbraw/zinc/26/72/37/1194267237.db2.gz JKDFETNQILILLH-DLBZAZTESA-N 2 0 359.474 0.737 20 0 FCADRP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001218735119 1224207112 /nfs/dbraw/zinc/20/71/12/1224207112.db2.gz OKIGKSQZEPMDGB-INIZCTEOSA-N 2 0 374.489 0.198 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076107499 1194309310 /nfs/dbraw/zinc/30/93/10/1194309310.db2.gz ZDTQLFIPHRENRS-HRCADAONSA-N 2 0 355.446 0.585 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076203906 1194352630 /nfs/dbraw/zinc/35/26/30/1194352630.db2.gz JEEHWTGDYGLCIN-OKZBNKHCSA-N 2 0 362.518 0.870 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324639 1194396747 /nfs/dbraw/zinc/39/67/47/1194396747.db2.gz XCVNRYPRDQQNMV-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1noc(CN2CC[C@@]3(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)n1 ZINC001276795412 1224218260 /nfs/dbraw/zinc/21/82/60/1224218260.db2.gz IQNWEPJJYACGRV-RDTXWAMCSA-N 2 0 365.478 0.551 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnc2nccn2c1 ZINC001218783952 1224218980 /nfs/dbraw/zinc/21/89/80/1224218980.db2.gz HSGCIHNVWOJNAD-KBPBESRZSA-N 2 0 359.434 0.115 20 0 FCADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076447171 1194501979 /nfs/dbraw/zinc/50/19/79/1194501979.db2.gz UQIVJGUTUJGINT-OKZBNKHCSA-N 2 0 360.502 0.530 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465772 1194509259 /nfs/dbraw/zinc/50/92/59/1194509259.db2.gz VAPXGTVUDBNVHD-YESZJQIVSA-N 2 0 360.502 0.624 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnn2c1OCCC2 ZINC001218794886 1224225264 /nfs/dbraw/zinc/22/52/64/1224225264.db2.gz VUVYPADGJADFOH-JSGCOSHPSA-N 2 0 364.450 0.051 20 0 FCADRP CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218798306 1224226278 /nfs/dbraw/zinc/22/62/78/1224226278.db2.gz OZCBOQKHZDSCLG-GFCCVEGCSA-N 2 0 356.430 0.586 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218819537 1224231333 /nfs/dbraw/zinc/23/13/33/1224231333.db2.gz JBLQCDAXXDFJFW-IXDOHACOSA-N 2 0 366.506 0.249 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218819437 1224231778 /nfs/dbraw/zinc/23/17/78/1224231778.db2.gz DACSPCVPTGTOQW-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)cc2F)CC1 ZINC001218889811 1224248694 /nfs/dbraw/zinc/24/86/94/1224248694.db2.gz NHDSWEQXEISCJF-AUUYWEPGSA-N 2 0 361.465 0.858 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)COC(C)(C)C)C2 ZINC001276798473 1224250675 /nfs/dbraw/zinc/25/06/75/1224250675.db2.gz DKCHPUHECYLLIL-QFBILLFUSA-N 2 0 371.522 0.275 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077219176 1195328782 /nfs/dbraw/zinc/32/87/82/1195328782.db2.gz LFCGDTQYWVKADW-OPQOLIRYSA-N 2 0 365.518 0.839 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970552 1224274554 /nfs/dbraw/zinc/27/45/54/1224274554.db2.gz JKBUSXJGBLPYGM-RBUKOAKNSA-N 2 0 361.486 0.985 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]21 ZINC001218965561 1224275189 /nfs/dbraw/zinc/27/51/89/1224275189.db2.gz OVAISGISLNGPGB-RBUKOAKNSA-N 2 0 361.486 0.719 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276051 1195377058 /nfs/dbraw/zinc/37/70/58/1195377058.db2.gz JSDSJQYEXFDWHJ-QZTJIDSGSA-N 2 0 358.442 0.844 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299486 1195398392 /nfs/dbraw/zinc/39/83/92/1195398392.db2.gz DDJVTXAMKMCARW-KZNAEPCWSA-N 2 0 365.518 0.717 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077311965 1195414846 /nfs/dbraw/zinc/41/48/46/1195414846.db2.gz HFYJTKHORDODOK-BLYBZDDLSA-N 2 0 358.442 0.924 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417936 1195516669 /nfs/dbraw/zinc/51/66/69/1195516669.db2.gz FFYFCWKXOSFZLV-MOXMWUHRSA-N 2 0 361.486 0.511 20 0 FCADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418077 1195517366 /nfs/dbraw/zinc/51/73/66/1195517366.db2.gz IEYQKZHDUBDKSO-ARCLZCIDSA-N 2 0 371.481 0.520 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006810 1224286370 /nfs/dbraw/zinc/28/63/70/1224286370.db2.gz ZBNTTZPMGHEZMK-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906644469 1195641388 /nfs/dbraw/zinc/64/13/88/1195641388.db2.gz BHTHRRSEVOZYGX-HNNXBMFYSA-N 2 0 361.490 0.474 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000906722932 1195655927 /nfs/dbraw/zinc/65/59/27/1195655927.db2.gz YFFJXIJNMSOCRD-UHFFFAOYSA-N 2 0 360.458 0.955 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ccccc1NC(=O)c1cnccn1)C1CC[NH2+]CC1 ZINC001219020823 1224295630 /nfs/dbraw/zinc/29/56/30/1224295630.db2.gz OEKNXVHXHSSEMW-INIZCTEOSA-N 2 0 354.414 0.994 20 0 FCADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757225 1195709903 /nfs/dbraw/zinc/70/99/03/1195709903.db2.gz UWNDNFPEDXRMPO-IRXDYDNUSA-N 2 0 369.506 0.879 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)[C@@H]2C1 ZINC000910838724 1195849271 /nfs/dbraw/zinc/84/92/71/1195849271.db2.gz YZHRXFPAYPGKPH-DOTOQJQBSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000910829365 1195850462 /nfs/dbraw/zinc/85/04/62/1195850462.db2.gz CBCPOZJXFVHXCF-INIZCTEOSA-N 2 0 373.501 0.919 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000910831952 1195851559 /nfs/dbraw/zinc/85/15/59/1195851559.db2.gz MAPXDAQUZUGLMV-AEFFLSMTSA-N 2 0 371.485 0.815 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCCO1 ZINC000910984095 1195873317 /nfs/dbraw/zinc/87/33/17/1195873317.db2.gz LCVVPVRPTASETO-BMGDILEWSA-N 2 0 374.485 0.344 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029226 1195880218 /nfs/dbraw/zinc/88/02/18/1195880218.db2.gz LSXOLJJJNYPLTC-LBTBCDHLSA-N 2 0 358.486 0.964 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)c1cccc(OC)c1 ZINC000911047913 1195883457 /nfs/dbraw/zinc/88/34/57/1195883457.db2.gz JPMPOXMDDVRPEM-MRXNPFEDSA-N 2 0 362.474 0.802 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911123285 1195892834 /nfs/dbraw/zinc/89/28/34/1195892834.db2.gz HBQNBHJRRBVQDW-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911195527 1195918471 /nfs/dbraw/zinc/91/84/71/1195918471.db2.gz ULDPUTCXNXXOMY-KANFNMMFSA-N 2 0 370.497 0.691 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000911266734 1195928688 /nfs/dbraw/zinc/92/86/88/1195928688.db2.gz GKBAHNHXJARKAH-ZTFGCOKTSA-N 2 0 374.485 0.754 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CCC1 ZINC001083644463 1195931901 /nfs/dbraw/zinc/93/19/01/1195931901.db2.gz ICIFDBTYKYHTKP-FGTMMUONSA-N 2 0 358.442 0.924 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318377 1195938020 /nfs/dbraw/zinc/93/80/20/1195938020.db2.gz GHNNNSWCRVCWME-IAGOWNOFSA-N 2 0 368.522 0.658 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911350558 1195939268 /nfs/dbraw/zinc/93/92/68/1195939268.db2.gz HSPQRUADRXYANO-JQHSSLGASA-N 2 0 358.486 0.820 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000911363378 1195942622 /nfs/dbraw/zinc/94/26/22/1195942622.db2.gz LLRUCUAABFSVSX-QGZVFWFLSA-N 2 0 358.486 0.665 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000911366869 1195948939 /nfs/dbraw/zinc/94/89/39/1195948939.db2.gz STBZGDGOYLRGFE-INIZCTEOSA-N 2 0 367.453 0.595 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001219052400 1224322185 /nfs/dbraw/zinc/32/21/85/1224322185.db2.gz YUXJJVLBQDPYNK-YESZJQIVSA-N 2 0 364.490 0.005 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000911702895 1196308169 /nfs/dbraw/zinc/30/81/69/1196308169.db2.gz RKFYEPVWTRPKPM-VMPITWQZSA-N 2 0 360.458 0.188 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)C1)N1CC[NH2+]CC1 ZINC000911705153 1196308814 /nfs/dbraw/zinc/30/88/14/1196308814.db2.gz KJHUTTWJPITFQG-ZJPYXAASSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+]1CC[C@@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000911829746 1196314078 /nfs/dbraw/zinc/31/40/78/1196314078.db2.gz VMJPFRVQVAXBRS-JGAFCMAOSA-N 2 0 366.481 0.145 20 0 FCADRP NC(=O)c1cc(Oc2cccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)c2)ccn1 ZINC001219072298 1224337826 /nfs/dbraw/zinc/33/78/26/1224337826.db2.gz NEZZQUIDQCCVOK-OAHLLOKOSA-N 2 0 367.409 0.720 20 0 FCADRP CC1(C)CC(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655070 1196349939 /nfs/dbraw/zinc/34/99/39/1196349939.db2.gz UCDXMVXSNADDPY-LXJOXGFSSA-N 2 0 363.502 0.447 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)c21 ZINC000592465022 1196564094 /nfs/dbraw/zinc/56/40/94/1196564094.db2.gz MIBMLOROAYLIRV-HUUCEWRRSA-N 2 0 374.489 0.003 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)c21 ZINC000592549105 1196566303 /nfs/dbraw/zinc/56/63/03/1196566303.db2.gz RLYAPAVHWJNJIQ-YPMHNXCESA-N 2 0 374.411 0.285 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)c21 ZINC000592566593 1196569196 /nfs/dbraw/zinc/56/91/96/1196569196.db2.gz NXMWVZKPWWWOCL-FHERZECASA-N 2 0 360.506 0.665 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)C1 ZINC000592964458 1196597170 /nfs/dbraw/zinc/59/71/70/1196597170.db2.gz GVJVUWXNYSTBBA-HZPDHXFCSA-N 2 0 360.506 0.571 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)CC1 ZINC001030329545 1196680507 /nfs/dbraw/zinc/68/05/07/1196680507.db2.gz DVGVXNYNBIUKTD-IPELMVKDSA-N 2 0 365.518 0.960 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000991738484 1196755725 /nfs/dbraw/zinc/75/57/25/1196755725.db2.gz IKTJQDVRTOYCIH-MOPGFXCFSA-N 2 0 370.497 0.755 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCn1cncn1 ZINC001088971434 1196851899 /nfs/dbraw/zinc/85/18/99/1196851899.db2.gz PLVZNUMZWBMLRC-QAPCUYQASA-N 2 0 360.506 0.979 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000992151957 1196976650 /nfs/dbraw/zinc/97/66/50/1196976650.db2.gz CVFBBVTUTLBKMX-RDHHWEPZSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2ccnn2C)O1 ZINC001089191971 1197020073 /nfs/dbraw/zinc/02/00/73/1197020073.db2.gz KFFSKNPWXRXLRQ-BPQIPLTHSA-N 2 0 363.506 0.952 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cc3cn4c(n3)CCCC4)C2)CC[N@@H+]1C ZINC000992310900 1197059301 /nfs/dbraw/zinc/05/93/01/1197059301.db2.gz VFSKACRXVOXASW-CZUORRHYSA-N 2 0 359.474 0.429 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000992320868 1197067062 /nfs/dbraw/zinc/06/70/62/1197067062.db2.gz YJWJKRXOEKPQEC-ZXYWRSMDSA-N 2 0 368.497 0.866 20 0 FCADRP [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)cc2)C1 ZINC001219232374 1224395805 /nfs/dbraw/zinc/39/58/05/1224395805.db2.gz BAQGVVLDFMRELR-YOEHRIQHSA-N 2 0 371.485 0.668 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283643 1224413821 /nfs/dbraw/zinc/41/38/21/1224413821.db2.gz WTPJTELHKDQKKC-CZUORRHYSA-N 2 0 364.421 0.644 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106200021 1197672915 /nfs/dbraw/zinc/67/29/15/1197672915.db2.gz FHLIMFNJAZWMBF-OIISXLGYSA-N 2 0 370.513 0.877 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1Cc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273313793 1197688189 /nfs/dbraw/zinc/68/81/89/1197688189.db2.gz NFXWXXAJSWPGNH-HNNXBMFYSA-N 2 0 360.462 0.170 20 0 FCADRP CN1c2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccc2C(C)(C)C1=O ZINC001219328307 1224429989 /nfs/dbraw/zinc/42/99/89/1224429989.db2.gz FRBAZXODUQRRCD-HNNXBMFYSA-N 2 0 359.474 0.630 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001085269884 1197773787 /nfs/dbraw/zinc/77/37/87/1197773787.db2.gz ZFGORGBRMQIFNC-NWANDNLSSA-N 2 0 356.430 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106245594 1197779064 /nfs/dbraw/zinc/77/90/64/1197779064.db2.gz DLWFHMGXCBEHMV-ZIAGYGMSSA-N 2 0 363.462 0.782 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246589 1197779700 /nfs/dbraw/zinc/77/97/00/1197779700.db2.gz PIUICTWKMQUXHA-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001085275242 1197783109 /nfs/dbraw/zinc/78/31/09/1197783109.db2.gz WNQUEOMIVNJMAB-OAGGEKHMSA-N 2 0 369.425 0.770 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106249696 1197783384 /nfs/dbraw/zinc/78/33/84/1197783384.db2.gz NZDIVJZOGXKPRJ-MRRJBJDNSA-N 2 0 363.462 0.637 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249780 1197785063 /nfs/dbraw/zinc/78/50/63/1197785063.db2.gz PMWBXOJGLJDDEQ-OIISXLGYSA-N 2 0 367.538 0.718 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106256022 1197795151 /nfs/dbraw/zinc/79/51/51/1197795151.db2.gz UPSOJXZUKBVLOG-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106316337 1197863222 /nfs/dbraw/zinc/86/32/22/1197863222.db2.gz QGTXIEACHDBDCC-IAGOWNOFSA-N 2 0 371.522 0.038 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323080 1197864363 /nfs/dbraw/zinc/86/43/63/1197864363.db2.gz XICASWDMBAAQGH-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589166 1197864759 /nfs/dbraw/zinc/86/47/59/1197864759.db2.gz FMIKSSSTCDCNHJ-GJZGRUSLSA-N 2 0 370.413 0.185 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106347017 1197870740 /nfs/dbraw/zinc/87/07/40/1197870740.db2.gz FRLYBRAIMKVFDC-IAGOWNOFSA-N 2 0 371.489 0.884 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001106346699 1197873538 /nfs/dbraw/zinc/87/35/38/1197873538.db2.gz OQIXGVQCWGGMAB-HZPDHXFCSA-N 2 0 371.489 0.921 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001106353715 1197874695 /nfs/dbraw/zinc/87/46/95/1197874695.db2.gz BXUYTVUQGASOSI-GDBMZVCRSA-N 2 0 360.458 0.949 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106378204 1197889337 /nfs/dbraw/zinc/88/93/37/1197889337.db2.gz JHKGNQCWEXZOJM-UKRRQHHQSA-N 2 0 355.442 0.911 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855486 1197893908 /nfs/dbraw/zinc/89/39/08/1197893908.db2.gz FKBSZSNNNJARLH-NSHGMRRFSA-N 2 0 359.470 0.603 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1)[NH+](C)C ZINC000993164212 1197915683 /nfs/dbraw/zinc/91/56/83/1197915683.db2.gz VHFHVYPSSPCUTR-TXPKVOOTSA-N 2 0 362.518 0.729 20 0 FCADRP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453555 1197933794 /nfs/dbraw/zinc/93/37/94/1197933794.db2.gz OADXQULTRSLSTL-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001066339258 1198045503 /nfs/dbraw/zinc/04/55/03/1198045503.db2.gz PQTYCKJETHICET-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP COc1coc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001086090550 1198155743 /nfs/dbraw/zinc/15/57/43/1198155743.db2.gz FBIXWKWKOJVRNM-HGTKMLMNSA-N 2 0 363.458 0.973 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001006286968 1198228263 /nfs/dbraw/zinc/22/82/63/1198228263.db2.gz MMPKKHMIQRHICT-HZMVEIRTSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006309926 1198394052 /nfs/dbraw/zinc/39/40/52/1198394052.db2.gz PRKWMFMUJGPAQI-VQHPVUNQSA-N 2 0 362.518 0.918 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498348 1224488133 /nfs/dbraw/zinc/48/81/33/1224488133.db2.gz WTMJCOMIAZWEOK-SGTLLEGYSA-N 2 0 370.413 0.110 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CC3(CC3)C[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501138 1224489499 /nfs/dbraw/zinc/48/94/99/1224489499.db2.gz PSKANBOJOWOBEW-LIRRHRJNSA-N 2 0 356.426 0.959 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219533227 1224500404 /nfs/dbraw/zinc/50/04/04/1224500404.db2.gz IICQFCYCSDRQAE-XUJVJEKNSA-N 2 0 356.426 0.189 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538274 1224502539 /nfs/dbraw/zinc/50/25/39/1224502539.db2.gz WXVMQYQWTLSOSX-IAOVAPTHSA-N 3 0 372.469 0.526 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1cncc(C(F)(F)F)c1 ZINC001219575174 1224515091 /nfs/dbraw/zinc/51/50/91/1224515091.db2.gz CJGNREYEQVWIOI-HNNXBMFYSA-N 2 0 373.423 0.900 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(-n3cc4c(n3)CC[C@H]([NH3+])C4)nn2)CC1 ZINC001168814998 1199036186 /nfs/dbraw/zinc/03/61/86/1199036186.db2.gz DNWXDNYNWDNFSZ-ZDUSSCGKSA-N 2 0 355.446 0.302 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCCCC1 ZINC000766880135 1199100572 /nfs/dbraw/zinc/10/05/72/1199100572.db2.gz JXMNGBMJKHBQGI-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652110 1224545763 /nfs/dbraw/zinc/54/57/63/1224545763.db2.gz AHYLLGMFHYIYCE-SJORKVTESA-N 2 0 367.494 0.035 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC001219651811 1224546127 /nfs/dbraw/zinc/54/61/27/1224546127.db2.gz XTVPJFSPLVTQIO-AITUJVMLSA-N 2 0 372.513 0.909 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)CNC1 ZINC001219722846 1224577008 /nfs/dbraw/zinc/57/70/08/1224577008.db2.gz GAHSXXZTDOVWTJ-QGZVFWFLSA-N 2 0 360.477 0.916 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723126 1224577298 /nfs/dbraw/zinc/57/72/98/1224577298.db2.gz JDALPUYNAUTVMM-RTBURBONSA-N 4 0 373.545 0.671 20 0 FCADRP N[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727157 1224579790 /nfs/dbraw/zinc/57/97/90/1224579790.db2.gz YEVBSUYTYJDGKH-GHTZIAJQSA-N 3 0 371.529 0.295 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219739373 1224585447 /nfs/dbraw/zinc/58/54/47/1224585447.db2.gz MVEJAGBFGSFNRF-QGZVFWFLSA-N 2 0 372.469 0.277 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001129384917 1200090270 /nfs/dbraw/zinc/09/02/70/1200090270.db2.gz BSTGPSDMOAMSNT-CVEARBPZSA-N 2 0 364.469 0.855 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219754763 1224597735 /nfs/dbraw/zinc/59/77/35/1224597735.db2.gz YKCRTJJKGJAGHD-QZTJIDSGSA-N 3 0 354.498 0.986 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219765311 1224601442 /nfs/dbraw/zinc/60/14/42/1224601442.db2.gz YTPYUGXLGGMXHJ-MSOLQXFVSA-N 2 0 357.502 0.404 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1 ZINC001109649785 1200441994 /nfs/dbraw/zinc/44/19/94/1200441994.db2.gz DGEYHBHHKOJYKY-IKGGRYGDSA-N 2 0 360.506 0.958 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001109654167 1200445717 /nfs/dbraw/zinc/44/57/17/1200445717.db2.gz ZNCCWDOUSPJSGW-NCOADZHNSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109719865 1200486940 /nfs/dbraw/zinc/48/69/40/1200486940.db2.gz PCKJIQRTFCMEAR-DRMAHVMPSA-N 2 0 371.497 0.929 20 0 FCADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793159 1224615823 /nfs/dbraw/zinc/61/58/23/1224615823.db2.gz AVUBTMNAUUOXIY-JXFKEZNVSA-N 3 0 364.534 0.868 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170021982 1200527774 /nfs/dbraw/zinc/52/77/74/1200527774.db2.gz KLHAQECKXUOASH-UHFFFAOYSA-N 2 0 353.430 0.956 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219796319 1224616890 /nfs/dbraw/zinc/61/68/90/1224616890.db2.gz VMEKNILJWKWTDP-RBUKOAKNSA-N 3 0 363.550 0.535 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799713 1224618301 /nfs/dbraw/zinc/61/83/01/1224618301.db2.gz BBRBJMBRBXDGDO-IRXDYDNUSA-N 2 0 360.502 0.767 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799719 1224618312 /nfs/dbraw/zinc/61/83/12/1224618312.db2.gz BCDGOSHUTRAFBP-RDJZCZTQSA-N 2 0 354.454 0.989 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219799862 1224620009 /nfs/dbraw/zinc/62/00/09/1224620009.db2.gz FCXUYBKHVXKUOG-WBVHZDCISA-N 2 0 362.474 0.501 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cc1=O ZINC001109977653 1200659479 /nfs/dbraw/zinc/65/94/79/1200659479.db2.gz SWQRUBLAUTXMCC-IKGGRYGDSA-N 2 0 362.474 0.185 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219810011 1224627794 /nfs/dbraw/zinc/62/77/94/1224627794.db2.gz ZFAAUNVBUKAXHV-UHFFFAOYSA-N 2 0 355.442 0.944 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110002794 1200694960 /nfs/dbraw/zinc/69/49/60/1200694960.db2.gz VLADJRBBXFAAFH-PMPSAXMXSA-N 2 0 364.490 0.589 20 0 FCADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219815320 1224631173 /nfs/dbraw/zinc/63/11/73/1224631173.db2.gz XEIMLYDOAQPVTC-XHSDSOJGSA-N 2 0 367.457 0.144 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)n1 ZINC001112563669 1200794009 /nfs/dbraw/zinc/79/40/09/1200794009.db2.gz HJHLMTMUWSMDLX-YJBOKZPZSA-N 2 0 364.494 0.112 20 0 FCADRP Cc1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)n1 ZINC001112563382 1200796473 /nfs/dbraw/zinc/79/64/73/1200796473.db2.gz SSAGMDINLANEDJ-YJBOKZPZSA-N 2 0 365.478 0.675 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564296 1200797143 /nfs/dbraw/zinc/79/71/43/1200797143.db2.gz NDDSRTTYFDKTEV-LIRRHRJNSA-N 2 0 359.474 0.726 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111451 1200863672 /nfs/dbraw/zinc/86/36/72/1200863672.db2.gz YQAGRNLAMGKLTF-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787132437 1200866904 /nfs/dbraw/zinc/86/69/04/1200866904.db2.gz YXXOGVGEONCIOX-DOTOQJQBSA-N 2 0 364.490 0.099 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787123099 1200869278 /nfs/dbraw/zinc/86/92/78/1200869278.db2.gz JZUFFDYDUHRIAZ-RDJZCZTQSA-N 2 0 368.522 0.593 20 0 FCADRP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CN(C)Cc3ccccc3)C2)nc(C)n1 ZINC001090445334 1200986578 /nfs/dbraw/zinc/98/65/78/1200986578.db2.gz IAOCKEWPOYFRRJ-QZTJIDSGSA-N 2 0 369.469 0.891 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219831653 1224644127 /nfs/dbraw/zinc/64/41/27/1224644127.db2.gz SFPRHYMVVXVJHU-MEAOTZBNSA-N 2 0 356.470 0.206 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834488 1224646669 /nfs/dbraw/zinc/64/66/69/1224646669.db2.gz QLRZEICTFBOVNE-DKKFBQAASA-N 2 0 367.490 0.047 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838752 1224647305 /nfs/dbraw/zinc/64/73/05/1224647305.db2.gz UFKGHHGJSOSENZ-BJZITVGISA-N 2 0 363.458 0.596 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850021 1224653786 /nfs/dbraw/zinc/65/37/86/1224653786.db2.gz LOMCAMPMDDUNCE-FJIDUMEYSA-N 2 0 360.502 0.623 20 0 FCADRP Cn1cnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170395329 1201209111 /nfs/dbraw/zinc/20/91/11/1201209111.db2.gz MVCKZVVGRFZJAK-JBJRXJHCSA-N 2 0 369.510 0.694 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793703922 1201259291 /nfs/dbraw/zinc/25/92/91/1201259291.db2.gz ZVQUEWKABPFMMZ-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793794652 1201265763 /nfs/dbraw/zinc/26/57/63/1201265763.db2.gz MUKCHQFIYSSJFM-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453606 1201311576 /nfs/dbraw/zinc/31/15/76/1201311576.db2.gz FDYZPLWHFYZHRH-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894771 1201428429 /nfs/dbraw/zinc/42/84/29/1201428429.db2.gz RXKKIPNUCLSKMB-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129924616 1201443709 /nfs/dbraw/zinc/44/37/09/1201443709.db2.gz CHEBGKKZGVUPIR-XKQJLSEDSA-N 2 0 369.429 0.616 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129925238 1201444034 /nfs/dbraw/zinc/44/40/34/1201444034.db2.gz VGCJZHHOKNLBKQ-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954236 1201448667 /nfs/dbraw/zinc/44/86/67/1201448667.db2.gz DPHOMSMDOAAWBH-OAGGEKHMSA-N 2 0 364.494 0.529 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954237 1201449128 /nfs/dbraw/zinc/44/91/28/1201449128.db2.gz DPHOMSMDOAAWBH-XHSDSOJGSA-N 2 0 364.494 0.529 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901533 1224674814 /nfs/dbraw/zinc/67/48/14/1224674814.db2.gz LNCLKHUHJOOHLB-AWEZNQCLSA-N 2 0 362.409 0.038 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1)OC ZINC001129982669 1201462525 /nfs/dbraw/zinc/46/25/25/1201462525.db2.gz HXFPGKVDCBGMJP-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012037 1201471037 /nfs/dbraw/zinc/47/10/37/1201471037.db2.gz LBHSTKATFWWYQZ-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130009576 1201477677 /nfs/dbraw/zinc/47/76/77/1201477677.db2.gz WNFONWOSIYWIJU-IKGGRYGDSA-N 2 0 366.510 0.775 20 0 FCADRP CCCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130056983 1201484435 /nfs/dbraw/zinc/48/44/35/1201484435.db2.gz CVDFSOOYYIEGHZ-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)C(C)C ZINC001130045815 1201486042 /nfs/dbraw/zinc/48/60/42/1201486042.db2.gz BPXOANAPZRHZEV-IXDOHACOSA-N 2 0 366.510 0.632 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001130047794 1201486563 /nfs/dbraw/zinc/48/65/63/1201486563.db2.gz UFCNECWEHSZBPK-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001130067110 1201490729 /nfs/dbraw/zinc/49/07/29/1201490729.db2.gz UVGHUCRMYSHWSK-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086363 1201495082 /nfs/dbraw/zinc/49/50/82/1201495082.db2.gz XQJJCCNFOFTEEU-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)C1CC1 ZINC001130220595 1201547689 /nfs/dbraw/zinc/54/76/89/1201547689.db2.gz FYHZKKJTNFVJSB-KCQAQPDRSA-N 2 0 368.457 0.193 20 0 FCADRP COC[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298819 1201580177 /nfs/dbraw/zinc/58/01/77/1201580177.db2.gz HZZLKRXFMKBDEL-OGWOLHLISA-N 2 0 368.522 0.448 20 0 FCADRP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC[NH+](C)C)CC1 ZINC001130307633 1201582535 /nfs/dbraw/zinc/58/25/35/1201582535.db2.gz VZIJPEJVEPKXSF-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940910 1224692086 /nfs/dbraw/zinc/69/20/86/1224692086.db2.gz IDBRGILUCGKQKH-QUCCMNQESA-N 3 0 373.545 0.765 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941292 1224692486 /nfs/dbraw/zinc/69/24/86/1224692486.db2.gz UCFPDVZZPJQLDS-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP COC(=O)C1(NC(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219999147 1224722158 /nfs/dbraw/zinc/72/21/58/1224722158.db2.gz LKJLJGWPNUCKBO-MRXNPFEDSA-N 2 0 373.453 0.480 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCC([NH3+])CC1 ZINC001220039728 1224735312 /nfs/dbraw/zinc/73/53/12/1224735312.db2.gz QKXJCGQOPUDLPL-CRBFVWNYSA-N 3 0 366.506 0.284 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130590132 1202725931 /nfs/dbraw/zinc/72/59/31/1202725931.db2.gz ARQGLMIISHRVFH-CGTJXYLNSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130609971 1202729640 /nfs/dbraw/zinc/72/96/40/1202729640.db2.gz DOQYWPYGDSRSDK-SOLBZPMBSA-N 2 0 363.506 0.561 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654279 1202743819 /nfs/dbraw/zinc/74/38/19/1202743819.db2.gz CYDLBQKWASVPFQ-HLLBOEOZSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001130669271 1202751078 /nfs/dbraw/zinc/75/10/78/1202751078.db2.gz DDZBBEPRYWCDPL-DOTOQJQBSA-N 2 0 359.478 0.190 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726354 1202768049 /nfs/dbraw/zinc/76/80/49/1202768049.db2.gz ULBJHKZXBJSFQB-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130736783 1202769512 /nfs/dbraw/zinc/76/95/12/1202769512.db2.gz OCYUNYSAJMCDFI-SOLBZPMBSA-N 2 0 363.506 0.681 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731838 1202772900 /nfs/dbraw/zinc/77/29/00/1202772900.db2.gz QZHZNTMICSWUHT-FUHWJXTLSA-N 2 0 363.506 0.827 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC[NH+](C)C)n2)O1 ZINC001130816152 1202806932 /nfs/dbraw/zinc/80/69/32/1202806932.db2.gz MQZBIVLSPICGRJ-UONOGXRCSA-N 2 0 368.482 0.217 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)C1 ZINC001130817254 1202807769 /nfs/dbraw/zinc/80/77/69/1202807769.db2.gz IMHAWMRLFSRXMJ-MELADBBJSA-N 2 0 368.457 0.542 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCO ZINC001131073533 1202855830 /nfs/dbraw/zinc/85/58/30/1202855830.db2.gz GETWRHDTNKZWLG-HZPDHXFCSA-N 2 0 365.522 0.664 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070512 1202856621 /nfs/dbraw/zinc/85/66/21/1202856621.db2.gz ZDQPRAUHNBLEIE-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1[NH2+]CCCO ZINC001131115335 1202867228 /nfs/dbraw/zinc/86/72/28/1202867228.db2.gz LNRNWYWCERILSW-MDZRGWNJSA-N 2 0 361.490 0.172 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131549859 1202914532 /nfs/dbraw/zinc/91/45/32/1202914532.db2.gz CAVLDXXYYJMPNA-WBVHZDCISA-N 2 0 366.506 0.060 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131604669 1202918392 /nfs/dbraw/zinc/91/83/92/1202918392.db2.gz AZPYJWGHJAJLBN-JZXOWHBKSA-N 2 0 366.506 0.060 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604727 1202918592 /nfs/dbraw/zinc/91/85/92/1202918592.db2.gz DMSSWLWOMMLBPO-LESCRADOSA-N 2 0 366.506 0.202 20 0 FCADRP COC(=O)CC[C@@]1(C)NC(=O)N(CN(C)CCCn2ccnc2C)C1=O ZINC000811761117 1202972927 /nfs/dbraw/zinc/97/29/27/1202972927.db2.gz ZWLVAIRQANGMAA-QGZVFWFLSA-N 2 0 365.434 0.735 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086712025 1202995553 /nfs/dbraw/zinc/99/55/53/1202995553.db2.gz MDJJISBBILIZDT-GVDBMIGSSA-N 2 0 365.522 0.761 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)[C@@H](c2ccccc2)C1 ZINC001134129389 1203014648 /nfs/dbraw/zinc/01/46/48/1203014648.db2.gz IVFCHJALYWJPQD-OTWHNJEPSA-N 2 0 371.485 0.295 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126471 1203015390 /nfs/dbraw/zinc/01/53/90/1203015390.db2.gz SYWAWBCLSLGEKE-SJORKVTESA-N 2 0 359.474 0.063 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)[C@@H](c2ccccc2)C1 ZINC001134126149 1203015834 /nfs/dbraw/zinc/01/58/34/1203015834.db2.gz BAOVYDBMAIGVQB-KURKYZTESA-N 2 0 368.485 0.817 20 0 FCADRP O=C(c1cncc(N[C@@H]2C[NH2+]C[C@H]2CO)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001170784478 1203036759 /nfs/dbraw/zinc/03/67/59/1203036759.db2.gz ULWYFXXOOINTMT-QFBILLFUSA-N 2 0 373.501 0.774 20 0 FCADRP O=C(c1cncc(N[C@H]2C[NH2+]C[C@@H]2CO)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001170784474 1203036945 /nfs/dbraw/zinc/03/69/45/1203036945.db2.gz ULWYFXXOOINTMT-APWZRJJASA-N 2 0 373.501 0.774 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001086731426 1203052330 /nfs/dbraw/zinc/05/23/30/1203052330.db2.gz LAOJUWRBSWVXLH-BBWFWOEESA-N 2 0 362.518 0.968 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001086744440 1203069796 /nfs/dbraw/zinc/06/97/96/1203069796.db2.gz SAVWPZKQCZLOQI-UONOGXRCSA-N 2 0 362.478 0.111 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086783802 1203091665 /nfs/dbraw/zinc/09/16/65/1203091665.db2.gz QHUPZPZJYGEVHM-ARFHVFGLSA-N 2 0 363.510 0.707 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086785160 1203092049 /nfs/dbraw/zinc/09/20/49/1203092049.db2.gz MEDNQHRVTHATKF-GVDBMIGSSA-N 2 0 366.506 0.202 20 0 FCADRP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)[nH]1 ZINC001086785299 1203092148 /nfs/dbraw/zinc/09/21/48/1203092148.db2.gz SBNAFVAMPPSLDD-ARFHVFGLSA-N 2 0 364.494 0.597 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086785157 1203092597 /nfs/dbraw/zinc/09/25/97/1203092597.db2.gz MABAAIMZCAFDDV-GVDBMIGSSA-N 2 0 364.494 0.262 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC001086785086 1203092612 /nfs/dbraw/zinc/09/26/12/1203092612.db2.gz JQNIZHCKRRJVEJ-BBWFWOEESA-N 2 0 363.506 0.904 20 0 FCADRP CC[C@@]([NH3+])(CO)Nc1nccc(C[N@@H+]2CC[C@H](CO)C2)c1C(OC)OC ZINC001170857165 1203098588 /nfs/dbraw/zinc/09/85/88/1203098588.db2.gz DHJKFNGEMGYNQC-UGSOOPFHSA-N 2 0 368.478 0.656 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817926204 1203126529 /nfs/dbraw/zinc/12/65/29/1203126529.db2.gz ADWPPJAUKUTMPI-SFHVURJKSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000817926422 1203126771 /nfs/dbraw/zinc/12/67/71/1203126771.db2.gz IOURIQBXGPJFDV-CALCHBBNSA-N 2 0 360.502 0.828 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986729 1203130121 /nfs/dbraw/zinc/13/01/21/1203130121.db2.gz NPVLTCVRWFWPHR-WRWLIDTKSA-N 2 0 360.502 0.816 20 0 FCADRP CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC000821328624 1203202891 /nfs/dbraw/zinc/20/28/91/1203202891.db2.gz LZNWEUXNUTZZBK-OTWHNJEPSA-N 2 0 358.486 0.816 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000825386710 1203314485 /nfs/dbraw/zinc/31/44/85/1203314485.db2.gz IIHJZTFVFUGVLT-ULQDDVLXSA-N 2 0 366.506 0.299 20 0 FCADRP O=C([C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001143671072 1203323267 /nfs/dbraw/zinc/32/32/67/1203323267.db2.gz QCSIASKCUHOFOQ-AQNXPRMDSA-N 2 0 373.497 0.945 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CCO)cc1 ZINC001090875042 1203325256 /nfs/dbraw/zinc/32/52/56/1203325256.db2.gz ZYCSJPJFAVZUEX-OTWHNJEPSA-N 2 0 361.486 0.912 20 0 FCADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149918 1224790402 /nfs/dbraw/zinc/79/04/02/1224790402.db2.gz HZJOOYUWLLTAOJ-HACGYAERSA-N 2 0 371.485 0.786 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001220311044 1224825581 /nfs/dbraw/zinc/82/55/81/1224825581.db2.gz JORNZALOSCCROZ-HOTGVXAUSA-N 2 0 355.442 0.802 20 0 FCADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311065 1224825628 /nfs/dbraw/zinc/82/56/28/1224825628.db2.gz KCMXZUACZPGUJX-INIZCTEOSA-N 2 0 357.458 0.927 20 0 FCADRP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310927 1224825460 /nfs/dbraw/zinc/82/54/60/1224825460.db2.gz HUWYUJCBGQTGCV-KDOFPFPSSA-N 2 0 357.458 0.925 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313063 1224825976 /nfs/dbraw/zinc/82/59/76/1224825976.db2.gz JPWHJOGCPVWCFS-YJBOKZPZSA-N 2 0 357.458 0.314 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220312861 1224826253 /nfs/dbraw/zinc/82/62/53/1224826253.db2.gz HNWKTWONVIRJCY-UHFFFAOYSA-N 2 0 368.485 0.712 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220316878 1224827062 /nfs/dbraw/zinc/82/70/62/1224827062.db2.gz UHPAGKZJTVSCKJ-RVFRGNJDSA-N 2 0 370.453 0.123 20 0 FCADRP CCCCn1nnnc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091036943 1204449740 /nfs/dbraw/zinc/44/97/40/1204449740.db2.gz AFAVRKFPYVLJMN-PRLABOORSA-N 2 0 363.510 0.798 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC[NH+](C)CC1 ZINC001220346108 1224836490 /nfs/dbraw/zinc/83/64/90/1224836490.db2.gz YQYVSQSJVCSJSE-QAPCUYQASA-N 2 0 367.490 0.679 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC[NH+](C)CC1 ZINC001220346109 1224836936 /nfs/dbraw/zinc/83/69/36/1224836936.db2.gz YQYVSQSJVCSJSE-YJBOKZPZSA-N 2 0 367.490 0.679 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000845992146 1204573215 /nfs/dbraw/zinc/57/32/15/1204573215.db2.gz YHPDKQNCAYFDLZ-HNNXBMFYSA-N 2 0 372.510 0.670 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000846329811 1204610269 /nfs/dbraw/zinc/61/02/69/1204610269.db2.gz GJWUJUBVQFBHIH-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP N[C@]1(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CCC[NH2+]C1 ZINC001220358588 1224842210 /nfs/dbraw/zinc/84/22/10/1224842210.db2.gz VEANHVNHNJNZFJ-FUHIMQAGSA-N 2 0 374.485 0.643 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357889 1224842431 /nfs/dbraw/zinc/84/24/31/1224842431.db2.gz UIZBOOPTNOFTAU-MOPGFXCFSA-N 2 0 363.502 0.991 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372575 1224846228 /nfs/dbraw/zinc/84/62/28/1224846228.db2.gz CTZKNZGNGZWTPQ-MOPGFXCFSA-N 2 0 363.502 0.747 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387373 1224853732 /nfs/dbraw/zinc/85/37/32/1224853732.db2.gz IXKBJONAESPVKY-NXHRZFHOSA-N 2 0 369.506 0.075 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091721262 1204833128 /nfs/dbraw/zinc/83/31/28/1204833128.db2.gz YDWGUKIZLYCBLR-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734914 1204836323 /nfs/dbraw/zinc/83/63/23/1204836323.db2.gz ALAVANGJCKJIGJ-GJYPPUQNSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735258 1204836474 /nfs/dbraw/zinc/83/64/74/1204836474.db2.gz NWLNURLWMUNNSU-KHYOSLBOSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735776 1204836932 /nfs/dbraw/zinc/83/69/32/1204836932.db2.gz XIRYGAAWWJGYQF-LBTNJELSSA-N 2 0 362.474 0.056 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(NC(N)=[NH2+])cc2)CC1 ZINC001148656643 1204837199 /nfs/dbraw/zinc/83/71/99/1204837199.db2.gz XHPGKTNWIBOBFM-HDJSIYSDSA-N 2 0 360.462 0.711 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737690 1204837719 /nfs/dbraw/zinc/83/77/19/1204837719.db2.gz HNFSYBBKIKKELV-POAQFYNOSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452781 1204849858 /nfs/dbraw/zinc/84/98/58/1204849858.db2.gz BHFZAXFOSPAJAK-DOTOQJQBSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273453827 1204852659 /nfs/dbraw/zinc/85/26/59/1204852659.db2.gz LSRJTXAFPQNVDV-DFGXFYAUSA-N 2 0 362.518 0.633 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)C1 ZINC001086875310 1204858737 /nfs/dbraw/zinc/85/87/37/1204858737.db2.gz NGWOINDQIWJBEJ-RRFJBIMHSA-N 2 0 363.510 0.754 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087009633 1204897228 /nfs/dbraw/zinc/89/72/28/1204897228.db2.gz QJBIBFHUKBUXET-BPQIPLTHSA-N 2 0 371.489 0.153 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087009775 1204897462 /nfs/dbraw/zinc/89/74/62/1204897462.db2.gz YBGOEVZNTAKRPH-AYOQOUSVSA-N 2 0 368.485 0.851 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087055513 1204935051 /nfs/dbraw/zinc/93/50/51/1204935051.db2.gz RAXLQWZONBZKLV-JOCBIADPSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083425 1204970901 /nfs/dbraw/zinc/97/09/01/1204970901.db2.gz DVTJFKWRRASOTM-FRFSOERESA-N 2 0 365.478 0.673 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087079462 1204990387 /nfs/dbraw/zinc/99/03/87/1204990387.db2.gz QRNMTOWMTUCUKI-NVXWUHKLSA-N 2 0 365.478 0.673 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087080799 1204992913 /nfs/dbraw/zinc/99/29/13/1204992913.db2.gz GKOSPTYNVJEIJW-KBAYOESNSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087100973 1204996967 /nfs/dbraw/zinc/99/69/67/1204996967.db2.gz NJBPRUMPMAGQFD-JFIYKMOQSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087100489 1204998033 /nfs/dbraw/zinc/99/80/33/1204998033.db2.gz VPEUAWQSFHVJRB-BRWVUGGUSA-N 2 0 363.506 0.808 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823402 1205043886 /nfs/dbraw/zinc/04/38/86/1205043886.db2.gz ATJBCFNYUUPCPX-ALKREAHSSA-N 2 0 355.442 0.992 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091909926 1205068736 /nfs/dbraw/zinc/06/87/36/1205068736.db2.gz DOBHLFZVLOOOPG-QINHECLXSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012988 1205113562 /nfs/dbraw/zinc/11/35/62/1205113562.db2.gz FYGBFRLLYJQMHU-MDZRGWNJSA-N 2 0 363.506 0.134 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013142 1205113939 /nfs/dbraw/zinc/11/39/39/1205113939.db2.gz JAQAXXKXHMCLRP-QINHECLXSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220432134 1224870427 /nfs/dbraw/zinc/87/04/27/1224870427.db2.gz YSHLNUUBXJPKJI-APWZRJJASA-N 2 0 372.469 0.874 20 0 FCADRP C[NH+](C)[C@](C)(C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001092190912 1205188553 /nfs/dbraw/zinc/18/85/53/1205188553.db2.gz ZSUHARXCHIRQME-UXPWSPDFSA-N 2 0 358.486 0.729 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273053 1205220578 /nfs/dbraw/zinc/22/05/78/1205220578.db2.gz LAOCHOLDILPZIK-QKLQHJQFSA-N 2 0 358.486 0.617 20 0 FCADRP COc1ccccc1C1(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCOCC1 ZINC001220445888 1224875055 /nfs/dbraw/zinc/87/50/55/1224875055.db2.gz XYGDFKIJMPAIEP-MRXNPFEDSA-N 2 0 359.470 0.669 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300030 1205233765 /nfs/dbraw/zinc/23/37/65/1205233765.db2.gz PSPUECJMSFNXMT-UZLBHIALSA-N 2 0 358.486 0.888 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3C[C@@H]([NH3+])CN3)nc3ccc(C)cc3n12 ZINC001220456186 1224878059 /nfs/dbraw/zinc/87/80/59/1224878059.db2.gz FVKILASSDIUVSM-HIFRSBDPSA-N 2 0 367.457 0.480 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672044 1205336078 /nfs/dbraw/zinc/33/60/78/1205336078.db2.gz UXHHYCWXLMFELZ-IXDOHACOSA-N 2 0 364.534 0.927 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675030 1205336685 /nfs/dbraw/zinc/33/66/85/1205336685.db2.gz BCDKUOLZQIIABT-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774913 1205354538 /nfs/dbraw/zinc/35/45/38/1205354538.db2.gz ZECZCQZMVQXGMD-HZPDHXFCSA-N 2 0 363.506 0.324 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[NH2+]CCN3)cc2)CC1 ZINC001220515503 1224899182 /nfs/dbraw/zinc/89/91/82/1224899182.db2.gz DOFYIVNEPABZGX-VXTDNTOSSA-N 2 0 359.474 0.271 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220517458 1224899937 /nfs/dbraw/zinc/89/99/37/1224899937.db2.gz MITOLGASRDDSNJ-IBGZPJMESA-N 2 0 373.501 0.776 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1 ZINC001220517403 1224900023 /nfs/dbraw/zinc/90/00/23/1224900023.db2.gz KDOCPHXUPYZNEU-CRAIPNDOSA-N 2 0 359.474 0.514 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3[NH2+]CC[C@@H]3O)cc2)CC1 ZINC001220516188 1224900083 /nfs/dbraw/zinc/90/00/83/1224900083.db2.gz RMBHDWAGVDPSRQ-XZJFIMKMSA-N 2 0 360.458 0.432 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1 ZINC001220517405 1224900545 /nfs/dbraw/zinc/90/05/45/1224900545.db2.gz KDOCPHXUPYZNEU-QAPCUYQASA-N 2 0 359.474 0.514 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC)CC[NH2+]C1 ZINC001220523541 1224905231 /nfs/dbraw/zinc/90/52/31/1224905231.db2.gz RISHKSSSBVGFME-ZDUSSCGKSA-N 2 0 369.462 0.752 20 0 FCADRP O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)[C@H]1C[NH2+]CCN1 ZINC001220527725 1224907584 /nfs/dbraw/zinc/90/75/84/1224907584.db2.gz NAXVBNCCIPBUGN-LJQANCHMSA-N 2 0 355.486 0.852 20 0 FCADRP [NH3+]CCNCC(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220535975 1224912722 /nfs/dbraw/zinc/91/27/22/1224912722.db2.gz QXKLJBWRXTWODV-HXUWFJFHSA-N 2 0 370.497 0.714 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193574 1206053328 /nfs/dbraw/zinc/05/33/28/1206053328.db2.gz KOXZFRHFPLRQRE-FHLIZLRMSA-N 2 0 358.486 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093287774 1206073072 /nfs/dbraw/zinc/07/30/72/1206073072.db2.gz HUNPQOSKMOLVRA-FMKPAKJESA-N 2 0 359.474 0.724 20 0 FCADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)C1=O ZINC001093288325 1206073462 /nfs/dbraw/zinc/07/34/62/1206073462.db2.gz KIZBFIPATHTNLX-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093289402 1206073731 /nfs/dbraw/zinc/07/37/31/1206073731.db2.gz QSRSQCMBJUTJDB-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093480461 1206090352 /nfs/dbraw/zinc/09/03/52/1206090352.db2.gz JZLZXDZQJIKOAC-JYBIWHBTSA-N 2 0 367.534 0.821 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093826047 1206123778 /nfs/dbraw/zinc/12/37/78/1206123778.db2.gz ZMZKMAYJENFMMK-BFYDXBDKSA-N 2 0 360.506 0.934 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001093825990 1206124301 /nfs/dbraw/zinc/12/43/01/1206124301.db2.gz VVTVCCQWWZFSFT-HUUCEWRRSA-N 2 0 363.510 0.752 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001093858623 1206136333 /nfs/dbraw/zinc/13/63/33/1206136333.db2.gz FBHGNHJQWDUXKE-BZUAXINKSA-N 2 0 365.526 0.998 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001093865023 1206136937 /nfs/dbraw/zinc/13/69/37/1206136937.db2.gz BQXUQQBFLOOCHF-OAGGEKHMSA-N 2 0 363.510 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093998316 1206166735 /nfs/dbraw/zinc/16/67/35/1206166735.db2.gz OPFYTNKVNKZLIH-UKRRQHHQSA-N 2 0 360.462 0.968 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001094013817 1206169718 /nfs/dbraw/zinc/16/97/18/1206169718.db2.gz LGAKGXQVRGZDLP-GDBMZVCRSA-N 2 0 363.510 0.609 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001094020904 1206171504 /nfs/dbraw/zinc/17/15/04/1206171504.db2.gz LBALTPPJBROTIM-CKEIUWERSA-N 2 0 367.494 0.986 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1)[NH+](C)C ZINC001094020785 1206171637 /nfs/dbraw/zinc/17/16/37/1206171637.db2.gz ANGYLMFICKTZAM-CKEIUWERSA-N 2 0 363.510 0.778 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001094042210 1206174166 /nfs/dbraw/zinc/17/41/66/1206174166.db2.gz NYTPEECWBIBVGB-OWCLPIDISA-N 2 0 363.510 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094043957 1206175260 /nfs/dbraw/zinc/17/52/60/1206175260.db2.gz FMLVPHLPGXKYDV-KFWWJZLASA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001094137602 1206191201 /nfs/dbraw/zinc/19/12/01/1206191201.db2.gz RMQIPCHIRKMSGB-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094137276 1206191464 /nfs/dbraw/zinc/19/14/64/1206191464.db2.gz KIUKWBSBQMTTHM-HUUCEWRRSA-N 2 0 364.494 0.110 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094166017 1206198010 /nfs/dbraw/zinc/19/80/10/1206198010.db2.gz IBEJUGUSUIFDDV-OWCLPIDISA-N 2 0 363.510 0.609 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1 ZINC001094224280 1206204360 /nfs/dbraw/zinc/20/43/60/1206204360.db2.gz BBBZFCPDPISFPY-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445282 1206228093 /nfs/dbraw/zinc/22/80/93/1206228093.db2.gz UPNTVPDFKDUZIM-VQIMIIECSA-N 2 0 362.518 0.969 20 0 FCADRP Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560609 1206238170 /nfs/dbraw/zinc/23/81/70/1206238170.db2.gz TXRZVJPFWXKPOA-SJLPKXTDSA-N 2 0 358.490 0.772 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(C3=NO[C@@H]4C[NH2+]C[C@@H]34)n2)CC1 ZINC001212630096 1206252422 /nfs/dbraw/zinc/25/24/22/1206252422.db2.gz RZHVJZOFRBCIHH-UKRRQHHQSA-N 2 0 354.414 0.811 20 0 FCADRP C[C@H]1C[C@@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001178565268 1206360155 /nfs/dbraw/zinc/36/01/55/1206360155.db2.gz VYOVNFHYRAWDDS-AAQOISQYSA-N 2 0 371.522 0.938 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001178731785 1206363527 /nfs/dbraw/zinc/36/35/27/1206363527.db2.gz CVUJPCLOOFLEGH-GDBMZVCRSA-N 2 0 364.450 0.419 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)n3cnc(C[NH3+])cc3=N)CC2)CC1 ZINC001179014126 1206371187 /nfs/dbraw/zinc/37/11/87/1206371187.db2.gz CIQYFUUWFYDHHN-UHFFFAOYSA-N 2 0 360.462 0.184 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001180613924 1206396607 /nfs/dbraw/zinc/39/66/07/1206396607.db2.gz XSSRBRSXRDBZJN-RUYXUALKSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1nccn1C ZINC001181896115 1206416886 /nfs/dbraw/zinc/41/68/86/1206416886.db2.gz JHXPDZJRRPMLFO-YKTARERQSA-N 2 0 363.506 0.713 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)C2(O)CC[NH+](C)CC2)c1 ZINC001182031694 1206419229 /nfs/dbraw/zinc/41/92/29/1206419229.db2.gz CYDCMKXIHDJIMD-UHFFFAOYSA-N 2 0 362.430 0.855 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000774886845 1206481590 /nfs/dbraw/zinc/48/15/90/1206481590.db2.gz BEKDRLNEHGRTNV-JKSUJKDBSA-N 2 0 366.506 0.347 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783690 1206485538 /nfs/dbraw/zinc/48/55/38/1206485538.db2.gz BXAYGFJMVMYCNR-KURKYZTESA-N 2 0 358.486 0.658 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512798 1206490513 /nfs/dbraw/zinc/49/05/13/1206490513.db2.gz YDYRISAMLIHXAR-IAGOWNOFSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@H+](C1CN(C(=O)c2ccccc2N2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001186898364 1206509049 /nfs/dbraw/zinc/50/90/49/1206509049.db2.gz QGQSXJRQQHKFDS-INIZCTEOSA-N 2 0 358.486 0.984 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220651268 1224990727 /nfs/dbraw/zinc/99/07/27/1224990727.db2.gz IJEPYFJHXZGDRZ-RTBURBONSA-N 2 0 371.529 0.786 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001220651278 1224990947 /nfs/dbraw/zinc/99/09/47/1224990947.db2.gz IOMHUQLIHSNQHE-QGZVFWFLSA-N 2 0 358.486 0.729 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)CCc2ncc[nH]2)C3)CC1 ZINC001273544295 1207378469 /nfs/dbraw/zinc/37/84/69/1207378469.db2.gz ONROFFOHVPJUSU-AUUYWEPGSA-N 2 0 359.474 0.743 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001188107077 1207423383 /nfs/dbraw/zinc/42/33/83/1207423383.db2.gz GQYVWWUOBBTVSG-HRCADAONSA-N 2 0 369.485 0.224 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1)C1CC1 ZINC001188387182 1207448795 /nfs/dbraw/zinc/44/87/95/1207448795.db2.gz BRYZMOLOEFSDDT-LZLYRXPVSA-N 2 0 371.485 0.504 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001188388813 1207448816 /nfs/dbraw/zinc/44/88/16/1207448816.db2.gz USOWAIAMTYFLQS-LZLYRXPVSA-N 2 0 362.474 0.641 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405645 1207454248 /nfs/dbraw/zinc/45/42/48/1207454248.db2.gz LQDXASNWVTZCSF-RYQLBKOJSA-N 2 0 371.485 0.719 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001189530882 1207568955 /nfs/dbraw/zinc/56/89/55/1207568955.db2.gz TWJYEXFZEBRXSK-ZWKOTPCHSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189732013 1207594961 /nfs/dbraw/zinc/59/49/61/1207594961.db2.gz CRXBKBDEGRMRNX-RBUKOAKNSA-N 2 0 365.518 0.650 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189820020 1207605199 /nfs/dbraw/zinc/60/51/99/1207605199.db2.gz KPQZHZWGUJZICB-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP CCC(C)(C)NC(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801161 1207609898 /nfs/dbraw/zinc/60/98/98/1207609898.db2.gz ALZBTMXACLYVRX-JKSUJKDBSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)(C)CNC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801409 1207610093 /nfs/dbraw/zinc/61/00/93/1207610093.db2.gz FIVYTEWEZYWTLB-JKSUJKDBSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801217 1207610869 /nfs/dbraw/zinc/61/08/69/1207610869.db2.gz BZRWFDAKLLZSQZ-IXDOHACOSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220680746 1225008482 /nfs/dbraw/zinc/00/84/82/1225008482.db2.gz PLGPNXJTXYPDCU-YACFAAQJSA-N 2 0 354.454 0.885 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690903 /nfs/dbraw/zinc/69/09/03/1207690903.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 0 358.486 0.915 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220688612 1225016436 /nfs/dbraw/zinc/01/64/36/1225016436.db2.gz MNSLBVFIXFHPDW-MOPGFXCFSA-N 2 0 371.485 0.875 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193069117 1207856721 /nfs/dbraw/zinc/85/67/21/1207856721.db2.gz YTBGLACSDQVKKI-IAGOWNOFSA-N 2 0 367.494 0.036 20 0 FCADRP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1F ZINC001193755131 1207889886 /nfs/dbraw/zinc/88/98/86/1207889886.db2.gz GHZXDQLGBRDJIT-JFIYKMOQSA-N 2 0 365.449 0.836 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001273666116 1207893972 /nfs/dbraw/zinc/89/39/72/1207893972.db2.gz GTFFVTNKTKFMGG-MRXNPFEDSA-N 2 0 366.506 0.251 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc3nonc3c2)C[C@H]1O)[NH+](C)C ZINC001193960679 1207900993 /nfs/dbraw/zinc/90/09/93/1207900993.db2.gz ATBRCWDBULHYOF-ZACQAIPSSA-N 2 0 361.446 0.470 20 0 FCADRP Cc1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)nc1 ZINC001194070495 1207913766 /nfs/dbraw/zinc/91/37/66/1207913766.db2.gz ZKICOTPFTMEIFS-UHFFFAOYSA-N 2 0 374.489 0.095 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001194103041 1207919087 /nfs/dbraw/zinc/91/90/87/1207919087.db2.gz SUFAJLBZRROEHE-BRWVUGGUSA-N 2 0 369.506 0.075 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290373 1207935629 /nfs/dbraw/zinc/93/56/29/1207935629.db2.gz UETFFMNHQPPUAB-RCCFBDPRSA-N 2 0 362.474 0.638 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)CCCCC1 ZINC001194961182 1207984480 /nfs/dbraw/zinc/98/44/80/1207984480.db2.gz IFTFAJFOEHAOAF-IAGOWNOFSA-N 2 0 363.506 0.557 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001195981092 1208049123 /nfs/dbraw/zinc/04/91/23/1208049123.db2.gz OSAPEJQAMYNZAI-BRWVUGGUSA-N 2 0 365.522 0.886 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196177238 1208064097 /nfs/dbraw/zinc/06/40/97/1208064097.db2.gz UIZBOOPTNOFTAU-RTBURBONSA-N 2 0 363.502 0.991 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196222387 1208067944 /nfs/dbraw/zinc/06/79/44/1208067944.db2.gz MPEMRTZBFBJYPM-GVDBMIGSSA-N 2 0 371.522 0.321 20 0 FCADRP CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307157 1208071133 /nfs/dbraw/zinc/07/11/33/1208071133.db2.gz LYNIUWHMGGMNTC-KZNAEPCWSA-N 2 0 371.522 0.321 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196299994 1208073722 /nfs/dbraw/zinc/07/37/22/1208073722.db2.gz QFAGQWCSQCZKBD-FCGDIQPGSA-N 2 0 361.486 0.530 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN(Cc3ccccc3F)C[C@H]2O)CC1 ZINC001197253105 1208148995 /nfs/dbraw/zinc/14/89/95/1208148995.db2.gz IBIMCKUPSQNJGB-QZTJIDSGSA-N 2 0 365.449 0.598 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)cc1 ZINC001220743987 1225048181 /nfs/dbraw/zinc/04/81/81/1225048181.db2.gz XFXNMEVHUBLRSP-LJQANCHMSA-N 3 0 372.513 0.627 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001197826428 1208201845 /nfs/dbraw/zinc/20/18/45/1208201845.db2.gz WXKOTDFYJPOHRH-QZTJIDSGSA-N 2 0 371.522 0.323 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001198038519 1208216367 /nfs/dbraw/zinc/21/63/67/1208216367.db2.gz USEPCCXZISNTPS-IAGOWNOFSA-N 2 0 366.510 0.342 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024053 1208310026 /nfs/dbraw/zinc/31/00/26/1208310026.db2.gz YUSBZFOJJHBUSB-KZNAEPCWSA-N 2 0 371.522 0.057 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001199350947 1208339093 /nfs/dbraw/zinc/33/90/93/1208339093.db2.gz ZCLPJXOPQPASSG-UHFFFAOYSA-N 2 0 359.474 0.964 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)CC1 ZINC001273847501 1208425770 /nfs/dbraw/zinc/42/57/70/1208425770.db2.gz HIXRLFXIVBWRFH-ROUUACIJSA-N 2 0 360.506 0.611 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001691706752 1208438381 /nfs/dbraw/zinc/43/83/81/1208438381.db2.gz BPXHHBWDEZNIHL-BHYGNILZSA-N 2 0 361.490 0.435 20 0 FCADRP CCCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201230484 1208449369 /nfs/dbraw/zinc/44/93/69/1208449369.db2.gz SLVLSLBOLZOJQF-HLLBOEOZSA-N 2 0 368.522 0.591 20 0 FCADRP [NH3+]C1(C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)CCC2(CC1)OCCO2 ZINC001220789013 1225074999 /nfs/dbraw/zinc/07/49/99/1225074999.db2.gz IJGWJODLTOWWOQ-HOTGVXAUSA-N 2 0 360.458 0.863 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001489050776 1208621688 /nfs/dbraw/zinc/62/16/88/1208621688.db2.gz PMQCUGRKIGCSNF-ZBFHGGJFSA-N 2 0 364.494 0.021 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001489051809 1208621771 /nfs/dbraw/zinc/62/17/71/1208621771.db2.gz DEWXXAJGZHUDMQ-PBHICJAKSA-N 2 0 350.507 0.810 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206087 1208669972 /nfs/dbraw/zinc/66/99/72/1208669972.db2.gz KVDGVHFTXPEFHQ-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C[NH2+]C1 ZINC001220827071 1225092368 /nfs/dbraw/zinc/09/23/68/1225092368.db2.gz GMKIWLNJXDYRGP-QGZVFWFLSA-N 2 0 359.426 0.424 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)C[NH2+]C1 ZINC001220827636 1225092917 /nfs/dbraw/zinc/09/29/17/1225092917.db2.gz WEKCGRCVPPQTHU-MRXNPFEDSA-N 2 0 372.469 0.387 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828928 1225093450 /nfs/dbraw/zinc/09/34/50/1225093450.db2.gz JIECMTDQONDIEC-QRVBRYPASA-N 2 0 363.502 0.483 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001489603839 1209032730 /nfs/dbraw/zinc/03/27/30/1209032730.db2.gz OYOPFPXOTBRDTC-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC001489625835 1209057568 /nfs/dbraw/zinc/05/75/68/1209057568.db2.gz KIQHOPFUPKGGEE-CVEARBPZSA-N 2 0 368.522 0.281 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001489662984 1209077616 /nfs/dbraw/zinc/07/76/16/1209077616.db2.gz HWPOUIDFFFLAHG-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862330 1225113144 /nfs/dbraw/zinc/11/31/44/1225113144.db2.gz XLRCNPDTALEOIY-HRCADAONSA-N 2 0 370.494 0.093 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC001490051392 1209228560 /nfs/dbraw/zinc/22/85/60/1209228560.db2.gz UDFXGZOIBKXCBU-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CCC2(CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2)C1=O ZINC001276817265 1225140152 /nfs/dbraw/zinc/14/01/52/1225140152.db2.gz FJLZQDILZOOYSZ-HNNXBMFYSA-N 2 0 369.506 0.565 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926559 1225144156 /nfs/dbraw/zinc/14/41/56/1225144156.db2.gz RINQJJWINAMQJU-IBGZPJMESA-N 3 0 374.533 0.160 20 0 FCADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220926316 1225144401 /nfs/dbraw/zinc/14/44/01/1225144401.db2.gz GXBGRWZAJJAEMT-FUHIMQAGSA-N 3 0 358.486 0.585 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220927917 1225145419 /nfs/dbraw/zinc/14/54/19/1225145419.db2.gz ATEIYZLCXSFEMC-KRWDZBQOSA-N 2 0 361.490 0.767 20 0 FCADRP Cc1ccc([C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)N2CCC[NH2+]CC2)cc1 ZINC001220935962 1225148703 /nfs/dbraw/zinc/14/87/03/1225148703.db2.gz BHBAJIXGZYDGKN-MOPGFXCFSA-N 2 0 360.502 0.826 20 0 FCADRP Cc1ccc([C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)N2CCC([NH3+])CC2)cc1 ZINC001220937540 1225148740 /nfs/dbraw/zinc/14/87/40/1225148740.db2.gz UTMCCZVTLCQSCY-RTBURBONSA-N 2 0 360.502 0.954 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853683404 1209602750 /nfs/dbraw/zinc/60/27/50/1209602750.db2.gz SDJBXRGUMMPMMU-FGTMMUONSA-N 2 0 366.506 0.746 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001220939681 1225149695 /nfs/dbraw/zinc/14/96/95/1225149695.db2.gz RYXBRNWBKHEZMY-KRWDZBQOSA-N 2 0 357.458 0.457 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220970999 1225166119 /nfs/dbraw/zinc/16/61/19/1225166119.db2.gz ORKZDKQCUMKCMH-JKSUJKDBSA-N 2 0 362.449 0.570 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000861543369 1209870647 /nfs/dbraw/zinc/87/06/47/1209870647.db2.gz AZNYTTKLXVMEDQ-OAHLLOKOSA-N 2 0 359.474 0.634 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000861729846 1209877891 /nfs/dbraw/zinc/87/78/91/1209877891.db2.gz CLKDGKYKHYBTSF-GOEBONIOSA-N 2 0 362.474 0.754 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001220974834 1225168980 /nfs/dbraw/zinc/16/89/80/1225168980.db2.gz KARDSKYVMQUDGZ-JKSUJKDBSA-N 2 0 360.433 0.828 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@H]5[C@@H](C4)[C@@H]5[NH+](C)C)o3)C[C@H]21 ZINC000861910954 1209887911 /nfs/dbraw/zinc/88/79/11/1209887911.db2.gz FBYLGELWPQLTPL-ZLRGHILGSA-N 2 0 372.469 0.544 20 0 FCADRP Cn1cnc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1=O ZINC000888519890 1209933358 /nfs/dbraw/zinc/93/33/58/1209933358.db2.gz YEQWSZNLKOZLQA-UHFFFAOYSA-N 2 0 371.445 0.509 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(F)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000864665780 1209963287 /nfs/dbraw/zinc/96/32/87/1209963287.db2.gz NINHFZRMCUVFGB-UHFFFAOYSA-N 2 0 366.481 0.811 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000864884344 1209966924 /nfs/dbraw/zinc/96/69/24/1209966924.db2.gz JASHNKNZOWUTOB-ZHCJQAHYSA-N 2 0 366.481 0.811 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000868303574 1210050726 /nfs/dbraw/zinc/05/07/26/1210050726.db2.gz GSXPRDIREIOHLE-GASCZTMLSA-N 2 0 359.474 0.621 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000868304315 1210050772 /nfs/dbraw/zinc/05/07/72/1210050772.db2.gz GSXPRDIREIOHLE-SHTZXODSSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000868731337 1210072930 /nfs/dbraw/zinc/07/29/30/1210072930.db2.gz GTFRHXLEKIQARH-WHPLQULLSA-N 2 0 360.502 0.049 20 0 FCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000872300684 1210187965 /nfs/dbraw/zinc/18/79/65/1210187965.db2.gz ZPABKXDDHCJZCG-YVSFHVDLSA-N 2 0 363.506 0.641 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081644 1225213528 /nfs/dbraw/zinc/21/35/28/1225213528.db2.gz RCWCTVZIWBXWQL-MSOLQXFVSA-N 2 0 363.506 0.483 20 0 FCADRP COc1cccc(C2(NC(=O)[C@H]3C[NH2+]C[C@@H]3OC(C)=O)CC[NH2+]CC2)c1 ZINC001221096473 1225222743 /nfs/dbraw/zinc/22/27/43/1225222743.db2.gz VMAHTGGUXIOGJH-IRXDYDNUSA-N 2 0 361.442 0.541 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881623890 1210594761 /nfs/dbraw/zinc/59/47/61/1210594761.db2.gz VBXPWHQCTMKVDR-INIZCTEOSA-N 2 0 366.506 0.287 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001221113831 1225227334 /nfs/dbraw/zinc/22/73/34/1225227334.db2.gz CYWDJUKFISYKSV-INIZCTEOSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001221113832 1225227517 /nfs/dbraw/zinc/22/75/17/1225227517.db2.gz CYWDJUKFISYKSV-MRXNPFEDSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)CN1CCOCC1 ZINC000883441739 1210667590 /nfs/dbraw/zinc/66/75/90/1210667590.db2.gz WODZNVUBPSEMRJ-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604026 1210673268 /nfs/dbraw/zinc/67/32/68/1210673268.db2.gz KQUZGIGSWLTWFO-WMZOPIPTSA-N 2 0 371.485 0.730 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604243 1210673877 /nfs/dbraw/zinc/67/38/77/1210673877.db2.gz QWKLBDYPFSEUEU-YJBOKZPZSA-N 2 0 371.485 0.859 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883608727 1210674162 /nfs/dbraw/zinc/67/41/62/1210674162.db2.gz GEAQCPJIKIUBIV-JJRVBVJISA-N 2 0 359.474 0.761 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000883607565 1210674575 /nfs/dbraw/zinc/67/45/75/1210674575.db2.gz ZAEFONWNOPPSHM-QGZVFWFLSA-N 2 0 371.485 0.907 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1C[NH2+]C1 ZINC000883609298 1210674589 /nfs/dbraw/zinc/67/45/89/1210674589.db2.gz SNRNFKZBDXQVEN-INIZCTEOSA-N 2 0 357.458 0.340 20 0 FCADRP C[C@@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC[NH2+]C1 ZINC000883611400 1210675066 /nfs/dbraw/zinc/67/50/66/1210675066.db2.gz XPSSOWCUCITDIZ-FXAWDEMLSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883639151 1210677032 /nfs/dbraw/zinc/67/70/32/1210677032.db2.gz HKYIGQDTAVSRAP-DNVCBOLYSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883639152 1210677100 /nfs/dbraw/zinc/67/71/00/1210677100.db2.gz HKYIGQDTAVSRAP-HNAYVOBHSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCN1c1cc[nH+]cc1 ZINC000883643434 1210678158 /nfs/dbraw/zinc/67/81/58/1210678158.db2.gz LVYPIYXCPZTREV-MRXNPFEDSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883642426 1210678284 /nfs/dbraw/zinc/67/82/84/1210678284.db2.gz LNSCODRRLDXPBT-CVEARBPZSA-N 2 0 359.474 0.849 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221123732 1225230381 /nfs/dbraw/zinc/23/03/81/1225230381.db2.gz HUEMRYWWXHWGJL-WMZOPIPTSA-N 2 0 357.502 0.850 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001006342847 1210696628 /nfs/dbraw/zinc/69/66/28/1210696628.db2.gz PQSSAGUIMHRAKK-CKEIUWERSA-N 2 0 366.506 0.153 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000884189553 1210721365 /nfs/dbraw/zinc/72/13/65/1210721365.db2.gz IBIBITUQEHVMHG-UHFFFAOYSA-N 2 0 373.501 0.676 20 0 FCADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000884217257 1210724213 /nfs/dbraw/zinc/72/42/13/1210724213.db2.gz JXBWAMYUXKWLIR-KRWDZBQOSA-N 2 0 362.474 0.492 20 0 FCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344965 1210731733 /nfs/dbraw/zinc/73/17/33/1210731733.db2.gz TVQQKGBNBWYLKI-OAGGEKHMSA-N 2 0 365.522 0.743 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884414608 1210733941 /nfs/dbraw/zinc/73/39/41/1210733941.db2.gz WVKSPAUSZLGCEB-KRWDZBQOSA-N 2 0 359.474 0.474 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884486031 1210737799 /nfs/dbraw/zinc/73/77/99/1210737799.db2.gz MOACIZOOXTYVLZ-DLBZAZTESA-N 2 0 374.485 0.596 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884509561 1210741968 /nfs/dbraw/zinc/74/19/68/1210741968.db2.gz JNPOLWHWLJVLQI-QAPCUYQASA-N 2 0 373.501 0.934 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884516958 1210742997 /nfs/dbraw/zinc/74/29/97/1210742997.db2.gz ZCNQJGKFRPBWFF-GVDBMIGSSA-N 2 0 364.490 0.099 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884513969 1210743077 /nfs/dbraw/zinc/74/30/77/1210743077.db2.gz WLHQQWWFFDPLDS-OKZBNKHCSA-N 2 0 356.470 0.730 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532511 1210745211 /nfs/dbraw/zinc/74/52/11/1210745211.db2.gz KUZZTMGLSFJRBR-OQIJWPOYSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)Cc2ccccc2C1 ZINC000884566399 1210752857 /nfs/dbraw/zinc/75/28/57/1210752857.db2.gz IZFDSAHJQAEUMS-QZTJIDSGSA-N 2 0 370.497 0.555 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884576547 1210754393 /nfs/dbraw/zinc/75/43/93/1210754393.db2.gz KCSCXTIOFPMURW-MRXNPFEDSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884576426 1210754717 /nfs/dbraw/zinc/75/47/17/1210754717.db2.gz HIIAFXOLAFHVBK-SJLPKXTDSA-N 2 0 360.502 0.911 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884576546 1210754949 /nfs/dbraw/zinc/75/49/49/1210754949.db2.gz KCSCXTIOFPMURW-INIZCTEOSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577152 1210755571 /nfs/dbraw/zinc/75/55/71/1210755571.db2.gz YPFZELMUCIIFAZ-HZPDHXFCSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576920 1210755920 /nfs/dbraw/zinc/75/59/20/1210755920.db2.gz TUFQNBHVIRSFCP-QAPCUYQASA-N 2 0 358.486 0.665 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884598328 1210758936 /nfs/dbraw/zinc/75/89/36/1210758936.db2.gz YKBJSDGRQNHKEZ-GOSISDBHSA-N 2 0 374.485 0.046 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884603507 1210760834 /nfs/dbraw/zinc/76/08/34/1210760834.db2.gz LGKPYGOEBXVJEX-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884603524 1210761105 /nfs/dbraw/zinc/76/11/05/1210761105.db2.gz LPPNHKXFHDGJJL-QZTJIDSGSA-N 2 0 374.485 0.044 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884618175 1210763666 /nfs/dbraw/zinc/76/36/66/1210763666.db2.gz YCNUSNRCJJCXPF-QGZVFWFLSA-N 2 0 358.486 0.939 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616982 1210763792 /nfs/dbraw/zinc/76/37/92/1210763792.db2.gz FULRSSNUCJSOGK-CVEARBPZSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626121 1210765412 /nfs/dbraw/zinc/76/54/12/1210765412.db2.gz BCIUEFORGBAFBB-DLBZAZTESA-N 2 0 356.470 0.692 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000884626798 1210765482 /nfs/dbraw/zinc/76/54/82/1210765482.db2.gz VINWIHDHHYCHRD-SQNIBIBYSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626664 1210765877 /nfs/dbraw/zinc/76/58/77/1210765877.db2.gz RHCUHHHUMILPCR-OKZBNKHCSA-N 2 0 356.470 0.560 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631629 1210768184 /nfs/dbraw/zinc/76/81/84/1210768184.db2.gz QOIZAUDDAOCCEP-ZWKOTPCHSA-N 2 0 356.470 0.418 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CCC([NH+]3CCCCC3)CC1)C2 ZINC000884633914 1210768534 /nfs/dbraw/zinc/76/85/34/1210768534.db2.gz GNMGOCKPZZQUNL-MVBPIPQGSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000884663064 1210774262 /nfs/dbraw/zinc/77/42/62/1210774262.db2.gz DTQJLGLSEJBDOK-UHFFFAOYSA-N 2 0 370.497 0.939 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCCC1 ZINC000884670087 1210775550 /nfs/dbraw/zinc/77/55/50/1210775550.db2.gz ORTNOJFZULFWEE-QAPCUYQASA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884674405 1210777181 /nfs/dbraw/zinc/77/71/81/1210777181.db2.gz VEAIUTYOFXODOP-KBAYOESNSA-N 2 0 358.486 0.739 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000884715355 1210785645 /nfs/dbraw/zinc/78/56/45/1210785645.db2.gz QOKCNVMSAKQWML-ZWKOTPCHSA-N 2 0 370.497 0.965 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000884710618 1210785957 /nfs/dbraw/zinc/78/59/57/1210785957.db2.gz OQTAGMUYDOHYEK-HNNXBMFYSA-N 2 0 359.474 0.625 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716275 1210786689 /nfs/dbraw/zinc/78/66/89/1210786689.db2.gz SYGGWVJHUBFJJS-QZTJIDSGSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000884727425 1210790786 /nfs/dbraw/zinc/79/07/86/1210790786.db2.gz SOXDVEJYPWVBGN-QBPKDAKJSA-N 2 0 371.485 0.623 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000884804769 1210797360 /nfs/dbraw/zinc/79/73/60/1210797360.db2.gz JSDDBQJOCPFNAK-GDBMZVCRSA-N 2 0 357.458 0.520 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884808083 1210798272 /nfs/dbraw/zinc/79/82/72/1210798272.db2.gz NKDYLFHYJFHUMY-UHFFFAOYSA-N 2 0 366.506 0.478 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833221 1210800424 /nfs/dbraw/zinc/80/04/24/1210800424.db2.gz IOARDAXRRKRMJV-BGTYHANMSA-N 2 0 356.470 0.443 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884848303 1210801117 /nfs/dbraw/zinc/80/11/17/1210801117.db2.gz UCSPCWLMDPVMSN-QGZVFWFLSA-N 2 0 358.486 0.938 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884892816 1210803333 /nfs/dbraw/zinc/80/33/33/1210803333.db2.gz ZIBREDKIWIEUHF-QZTJIDSGSA-N 2 0 360.502 0.911 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908910 1210803510 /nfs/dbraw/zinc/80/35/10/1210803510.db2.gz IOWJSRAGJJPOIF-WKILWMFISA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](C)O1 ZINC000884968089 1210805782 /nfs/dbraw/zinc/80/57/82/1210805782.db2.gz OPSVUVUXHRALMA-BZUAXINKSA-N 2 0 368.522 0.496 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000884986383 1210807469 /nfs/dbraw/zinc/80/74/69/1210807469.db2.gz OOODNWFRKJXCDL-UHFFFAOYSA-N 2 0 368.522 0.722 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885148623 1210812502 /nfs/dbraw/zinc/81/25/02/1210812502.db2.gz QLFRRGXEDXWISH-CVEARBPZSA-N 2 0 366.506 0.250 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152562 1210812927 /nfs/dbraw/zinc/81/29/27/1210812927.db2.gz QYIVMXMVWZFSNF-IAGOWNOFSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000885156029 1210813619 /nfs/dbraw/zinc/81/36/19/1210813619.db2.gz JHMZDWSHNCUABA-OALUTQOASA-N 2 0 370.497 0.904 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156600 1210813751 /nfs/dbraw/zinc/81/37/51/1210813751.db2.gz YQMALQWDMZCQNN-QAPCUYQASA-N 2 0 358.486 0.617 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000885162334 1210814051 /nfs/dbraw/zinc/81/40/51/1210814051.db2.gz KZYXRKOWQFMLGA-MSOLQXFVSA-N 2 0 356.470 0.514 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000885290077 1210817532 /nfs/dbraw/zinc/81/75/32/1210817532.db2.gz AJJSPWIIDONLFM-CYBMUJFWSA-N 2 0 367.400 0.091 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691713674 1210841159 /nfs/dbraw/zinc/84/11/59/1210841159.db2.gz YPFAISKJRYCBFB-HYVNUMGLSA-N 2 0 351.495 0.679 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066146 1210844792 /nfs/dbraw/zinc/84/47/92/1210844792.db2.gz DWVALUAIGLQTFI-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887070837 1210845636 /nfs/dbraw/zinc/84/56/36/1210845636.db2.gz UNKZUSRAWBFGQR-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081099 1210846442 /nfs/dbraw/zinc/84/64/42/1210846442.db2.gz LNTPAAWGDVSZCN-VQTJNVASSA-N 2 0 362.518 0.923 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000887091159 1210847056 /nfs/dbraw/zinc/84/70/56/1210847056.db2.gz BIRZFCDPWMXEAD-MRXNPFEDSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000887091342 1210847141 /nfs/dbraw/zinc/84/71/41/1210847141.db2.gz HZNZGMCTFGFGLM-BFYDXBDKSA-N 2 0 357.458 0.329 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887091805 1210847342 /nfs/dbraw/zinc/84/73/42/1210847342.db2.gz WSNVTKIFHPKQLP-CVEARBPZSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000887093628 1210847429 /nfs/dbraw/zinc/84/74/29/1210847429.db2.gz QLTAMDMHSYKRCT-ZRGWGRIASA-N 2 0 357.458 0.187 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)CC1 ZINC000887442307 1210857921 /nfs/dbraw/zinc/85/79/21/1210857921.db2.gz BCEQGIINOFUFQF-HNNXBMFYSA-N 2 0 363.510 0.190 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C2(C)CC[NH+](C)CC2)CC1 ZINC001274084747 1210876521 /nfs/dbraw/zinc/87/65/21/1210876521.db2.gz WBGYTSDUOHWKMA-QRWLVFNGSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274178528 1210905172 /nfs/dbraw/zinc/90/51/72/1210905172.db2.gz DSNHMYSXDPUJBH-TWOQFEAHSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)n2)CC1 ZINC000889764801 1210949103 /nfs/dbraw/zinc/94/91/03/1210949103.db2.gz YKEJTLCODGQOEL-ZWKOTPCHSA-N 2 0 373.501 0.505 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000889909619 1210956832 /nfs/dbraw/zinc/95/68/32/1210956832.db2.gz BXAAHKHSTTZHMC-QGZVFWFLSA-N 2 0 359.474 0.587 20 0 FCADRP COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1OC ZINC000890149939 1210970148 /nfs/dbraw/zinc/97/01/48/1210970148.db2.gz NGDYXHJUYQWNPY-UHFFFAOYSA-N 2 0 366.462 0.594 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@]2(N)CC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183437 1225259013 /nfs/dbraw/zinc/25/90/13/1225259013.db2.gz IVIIFRKHPIOXBI-ZWOKBUDYSA-N 2 0 374.485 0.763 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001221188160 1225260049 /nfs/dbraw/zinc/26/00/49/1225260049.db2.gz PWZABJGOWPJTMA-HOCLYGCPSA-N 2 0 361.442 0.466 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001221188559 1225261427 /nfs/dbraw/zinc/26/14/27/1225261427.db2.gz XMXDQHXHDKXIGJ-SJORKVTESA-N 2 0 362.474 0.247 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1 ZINC001274953526 1211151820 /nfs/dbraw/zinc/15/18/20/1211151820.db2.gz QACLNOMTYJOPGK-BBWFWOEESA-N 2 0 360.502 0.767 20 0 FCADRP O=C1CC[C@H](C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)N1 ZINC001275149280 1211181245 /nfs/dbraw/zinc/18/12/45/1211181245.db2.gz WCMQIBPZHCMLMP-RDTXWAMCSA-N 2 0 359.430 0.003 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(CO)cc1)C2 ZINC001275177333 1211190271 /nfs/dbraw/zinc/19/02/71/1211190271.db2.gz PBEQFZUUSIJUFE-HXUWFJFHSA-N 2 0 361.486 0.791 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275178534 1211191155 /nfs/dbraw/zinc/19/11/55/1211191155.db2.gz XKROLYCFQCDFMD-KRWDZBQOSA-N 2 0 360.506 0.053 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1)[NH+](C)C ZINC001275219256 1211198429 /nfs/dbraw/zinc/19/84/29/1211198429.db2.gz DHKAHFMVRYBWOU-DLBZAZTESA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CC3(CCN3C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001275221658 1211198799 /nfs/dbraw/zinc/19/87/99/1211198799.db2.gz NLPAQHCSULRISV-IXDOHACOSA-N 2 0 360.502 0.624 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510889 1211253083 /nfs/dbraw/zinc/25/30/83/1211253083.db2.gz AYAYOHFKQRZYSY-DNVCBOLYSA-N 2 0 369.506 0.687 20 0 FCADRP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556517 1211256484 /nfs/dbraw/zinc/25/64/84/1211256484.db2.gz MPVHCVMVYLWPIX-LJQANCHMSA-N 2 0 366.506 0.015 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556932 1211256526 /nfs/dbraw/zinc/25/65/26/1211256526.db2.gz QQURYTGUEXGYHA-KXBFYZLASA-N 2 0 367.490 0.441 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557090 1211257029 /nfs/dbraw/zinc/25/70/29/1211257029.db2.gz UXCBXXPZBQHKOQ-VQIMIIECSA-N 2 0 367.490 0.441 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557085 1211257162 /nfs/dbraw/zinc/25/71/62/1211257162.db2.gz UXCBXXPZBQHKOQ-LPHOPBHVSA-N 2 0 367.490 0.441 20 0 FCADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221242967 1225278718 /nfs/dbraw/zinc/27/87/18/1225278718.db2.gz DATJFZQAVXKCSO-DOXZYTNZSA-N 2 0 368.522 0.720 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)nc1 ZINC001275603597 1211262654 /nfs/dbraw/zinc/26/26/54/1211262654.db2.gz KERZKEALDOTWOF-IAGOWNOFSA-N 2 0 360.458 0.995 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C24CCC[NH+]2CCC4)C3)CC1 ZINC001275722774 1211275227 /nfs/dbraw/zinc/27/52/27/1211275227.db2.gz VEQHFUILEOCRBJ-INIZCTEOSA-N 2 0 360.502 0.674 20 0 FCADRP COc1ncc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c(OC)n1 ZINC001275735386 1211278173 /nfs/dbraw/zinc/27/81/73/1211278173.db2.gz KXBATMSCIQKXJU-GOSISDBHSA-N 2 0 363.462 0.480 20 0 FCADRP CC1(C)OC[C@H](CN2C[C@]3(CC[N@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736072 1211278188 /nfs/dbraw/zinc/27/81/88/1211278188.db2.gz AAHLPYBZJUGDIQ-QFBILLFUSA-N 2 0 367.490 0.441 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738439 1211279254 /nfs/dbraw/zinc/27/92/54/1211279254.db2.gz ZFWLUKSSLXMLBN-BEFAXECRSA-N 2 0 367.490 0.489 20 0 FCADRP Cn1cncc1CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738039 1211279268 /nfs/dbraw/zinc/27/92/68/1211279268.db2.gz SCGBHINZJISFJA-LJQANCHMSA-N 2 0 361.490 0.471 20 0 FCADRP COC[C@H](NC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)C(=O)OC ZINC001275738254 1211279320 /nfs/dbraw/zinc/27/93/20/1211279320.db2.gz WQXCOFWPKZRRFD-HOTGVXAUSA-N 2 0 367.490 0.392 20 0 FCADRP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738413 1211279380 /nfs/dbraw/zinc/27/93/80/1211279380.db2.gz YJHUSSILNMSRJS-LJQANCHMSA-N 2 0 365.474 0.779 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2(C)COC2)CC1 ZINC001275790552 1211283764 /nfs/dbraw/zinc/28/37/64/1211283764.db2.gz NUDWIDHJBBICLF-QZTJIDSGSA-N 2 0 364.534 0.726 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833823 1211294000 /nfs/dbraw/zinc/29/40/00/1211294000.db2.gz QKMCRAPJSKNBIK-OXQOHEQNSA-N 2 0 362.518 0.921 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877482 1211302857 /nfs/dbraw/zinc/30/28/57/1211302857.db2.gz CDHWUJNTVBPJRO-XLIONFOSSA-N 2 0 362.518 0.921 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001275878047 1211303410 /nfs/dbraw/zinc/30/34/10/1211303410.db2.gz GMTBMKGOTSWWNU-FQEVSTJZSA-N 3 0 366.550 0.831 20 0 FCADRP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001275877955 1211303619 /nfs/dbraw/zinc/30/36/19/1211303619.db2.gz IKCHZMOVZPIKTH-YLFCFFPRSA-N 2 0 367.490 0.582 20 0 FCADRP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001275877953 1211303984 /nfs/dbraw/zinc/30/39/84/1211303984.db2.gz IKCHZMOVZPIKTH-QBPKDAKJSA-N 2 0 367.490 0.582 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+](C)C ZINC001276048453 1211339356 /nfs/dbraw/zinc/33/93/56/1211339356.db2.gz CXJNIHJCEUVJAG-DLBZAZTESA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4n[nH]cc43)C2)OCC1=O ZINC001276247634 1211392062 /nfs/dbraw/zinc/39/20/62/1211392062.db2.gz GHMJGEKANFVLNW-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001490824671 1211416017 /nfs/dbraw/zinc/41/60/17/1211416017.db2.gz RCRGBDFUFZLKNP-HRCADAONSA-N 2 0 359.536 0.732 20 0 FCADRP COc1ccc([C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)[NH+](C)C)cc1OC ZINC000924438420 1211469217 /nfs/dbraw/zinc/46/92/17/1211469217.db2.gz ZCSUSYMNTMWIJY-ZIAGYGMSSA-N 2 0 364.446 0.789 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000925398683 1211498908 /nfs/dbraw/zinc/49/89/08/1211498908.db2.gz HDJCFXQIFQFWBW-QGZVFWFLSA-N 2 0 365.522 0.714 20 0 FCADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)nc1 ZINC000925491717 1211501847 /nfs/dbraw/zinc/50/18/47/1211501847.db2.gz QWYXEKHHXVUODF-ZWJWXYIHSA-N 3 0 356.518 0.965 20 0 FCADRP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001221337643 1225299773 /nfs/dbraw/zinc/29/97/73/1225299773.db2.gz PYUFLUIHDQWCRR-KKUMJFAQSA-N 2 0 372.510 0.287 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)c2)CC1 ZINC000927884795 1211590319 /nfs/dbraw/zinc/59/03/19/1211590319.db2.gz ZKKPGLFIDBUAMA-INIZCTEOSA-N 2 0 373.501 0.570 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1F ZINC000927889959 1211590512 /nfs/dbraw/zinc/59/05/12/1211590512.db2.gz YPMZBMQSBDHRKN-CYBMUJFWSA-N 2 0 366.437 0.902 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1=O ZINC001110953940 1211613603 /nfs/dbraw/zinc/61/36/03/1211613603.db2.gz GWIAJOFUMSNQCA-ZACQAIPSSA-N 2 0 358.486 0.949 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CC1 ZINC001221403819 1225306233 /nfs/dbraw/zinc/30/62/33/1225306233.db2.gz ZCMASHPCBBTOQC-ABHNRTSZSA-N 2 0 360.502 0.909 20 0 FCADRP C[NH+]1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001221404899 1225307101 /nfs/dbraw/zinc/30/71/01/1225307101.db2.gz MEFOWNUBOBYXCL-OXJNMPFZSA-N 2 0 358.486 0.285 20 0 FCADRP CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931485195 1211757407 /nfs/dbraw/zinc/75/74/07/1211757407.db2.gz AATPQGDWSSXATD-HOTGVXAUSA-N 2 0 369.506 0.565 20 0 FCADRP C[NH+](C)CC1(O)CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000931483211 1211757614 /nfs/dbraw/zinc/75/76/14/1211757614.db2.gz YKBFHMNCAAMMNC-SFHVURJKSA-N 2 0 362.518 0.794 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000931486177 1211757696 /nfs/dbraw/zinc/75/76/96/1211757696.db2.gz NLBGKGCLNGEOEO-UHFFFAOYSA-N 2 0 374.529 0.719 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)cc2)[nH]1 ZINC000572723503 1211927645 /nfs/dbraw/zinc/92/76/45/1211927645.db2.gz MTIIFOBFFYXGOG-UHFFFAOYSA-N 2 0 366.429 0.844 20 0 FCADRP COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277265 1212203363 /nfs/dbraw/zinc/20/33/63/1212203363.db2.gz IWIVFTOMGVGDHP-ZACQAIPSSA-N 2 0 362.474 0.890 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCCC1 ZINC001111277280 1212203588 /nfs/dbraw/zinc/20/35/88/1212203588.db2.gz JHXZUIDDMDOSML-ZACQAIPSSA-N 2 0 366.506 0.299 20 0 FCADRP COc1ccnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)c1 ZINC001111277235 1212203679 /nfs/dbraw/zinc/20/36/79/1212203679.db2.gz HUGSKCATEGNSMZ-NXHRZFHOSA-N 2 0 362.474 0.890 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001111281114 1212232441 /nfs/dbraw/zinc/23/24/41/1212232441.db2.gz GUQJRJLZMASWPA-TVFCKZIOSA-N 2 0 363.502 0.999 20 0 FCADRP CCC[C@@H](C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281528 1212233073 /nfs/dbraw/zinc/23/30/73/1212233073.db2.gz WKIGTTCUTNVUNI-VQHPVUNQSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000949181263 1212314038 /nfs/dbraw/zinc/31/40/38/1212314038.db2.gz VKFCAKQPQZKNCN-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000949179243 1212314087 /nfs/dbraw/zinc/31/40/87/1212314087.db2.gz DLJNOTKIBDDGHK-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001007479884 1212502446 /nfs/dbraw/zinc/50/24/46/1212502446.db2.gz OKZYADNHAFOJOU-ZWOKBUDYSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001007701856 1212557939 /nfs/dbraw/zinc/55/79/39/1212557939.db2.gz NEBKJWBKQWWMIZ-ZWOKBUDYSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000951781357 1212876459 /nfs/dbraw/zinc/87/64/59/1212876459.db2.gz RDJXZBJGLVNQCC-JKIFEVAISA-N 2 0 355.442 0.863 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2ccccc2)C1 ZINC001111406148 1212991906 /nfs/dbraw/zinc/99/19/06/1212991906.db2.gz VVKPUGIBGHZSAO-MKXGPGLRSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@@H+]1C ZINC000954405656 1213068029 /nfs/dbraw/zinc/06/80/29/1213068029.db2.gz FHLPSZDOBUEVJB-CXAGYDPISA-N 2 0 355.442 0.957 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000954648519 1213097500 /nfs/dbraw/zinc/09/75/00/1213097500.db2.gz LKDYZGYTQMYTCL-BFYDXBDKSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CCc3cncn3C)C2)CC[N@@H+]1C ZINC000957012416 1213230824 /nfs/dbraw/zinc/23/08/24/1213230824.db2.gz HCEOCQIMOQHKER-IDHHARJASA-N 2 0 361.490 0.800 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000957013997 1213231712 /nfs/dbraw/zinc/23/17/12/1213231712.db2.gz OOVRPRVWVLDQFC-FRQCXROJSA-N 2 0 362.518 0.920 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276318147 1213404361 /nfs/dbraw/zinc/40/43/61/1213404361.db2.gz VURCJRZNFPCNEO-SFHVURJKSA-N 2 0 362.430 0.714 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001221793288 1225482777 /nfs/dbraw/zinc/48/27/77/1225482777.db2.gz ZMCRNMCBZVPOFH-JFIYKMOQSA-N 2 0 365.474 0.642 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N2CCC2)CC3)CC[N@@H+]1C ZINC001016630450 1214024631 /nfs/dbraw/zinc/02/46/31/1214024631.db2.gz FVCBMPYCXQMZGN-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001017464209 1214098721 /nfs/dbraw/zinc/09/87/21/1214098721.db2.gz GELSHGDQIKUJHB-OKZBNKHCSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC001017487969 1214102381 /nfs/dbraw/zinc/10/23/81/1214102381.db2.gz WITQBCKXNSBSAN-NVXWUHKLSA-N 2 0 360.502 0.697 20 0 FCADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276825591 1225502525 /nfs/dbraw/zinc/50/25/25/1225502525.db2.gz VTVKEDWGBFDPDL-GUDVDZBRSA-N 2 0 366.550 0.706 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C3)CC[NH+]1C ZINC001019070151 1214190461 /nfs/dbraw/zinc/19/04/61/1214190461.db2.gz ATAYIKUEBBJQIS-GVDBMIGSSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)n1cc(C[NH2+]CC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC000961992651 1214395646 /nfs/dbraw/zinc/39/56/46/1214395646.db2.gz XRSFORJEUZDFJQ-ARAOSMHQSA-N 2 0 364.494 0.563 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCN2CCNC2=O)CC[N@@H+]1C ZINC001039594872 1214400893 /nfs/dbraw/zinc/40/08/93/1214400893.db2.gz DFKPHAJBIVVPPO-WCXIOVBPSA-N 2 0 363.506 0.417 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001039787816 1214433486 /nfs/dbraw/zinc/43/34/86/1214433486.db2.gz QJLJRQSLRYYHMS-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039867297 1214451749 /nfs/dbraw/zinc/45/17/49/1214451749.db2.gz GOSPVLUYXYKXQU-SPYBWZPUSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CCn2cncn2)CC3)CC[N@@H+]1C ZINC001040707427 1214570254 /nfs/dbraw/zinc/57/02/54/1214570254.db2.gz BILSBBJUSDXBFJ-IAGOWNOFSA-N 2 0 360.506 0.933 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221950340 1225548794 /nfs/dbraw/zinc/54/87/94/1225548794.db2.gz CQOWXNUKCXOCDI-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000963750822 1214842833 /nfs/dbraw/zinc/84/28/33/1214842833.db2.gz FUVVBVMUYHSTQZ-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222051419 1225591043 /nfs/dbraw/zinc/59/10/43/1225591043.db2.gz WXPQDIRNYBSPCY-BRWVUGGUSA-N 2 0 368.522 0.401 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCn1ccnc1)C2=O ZINC001276828124 1225609894 /nfs/dbraw/zinc/60/98/94/1225609894.db2.gz QXNRUGHWTZTMAJ-YJBOKZPZSA-N 2 0 364.446 0.264 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC001055652677 1215899882 /nfs/dbraw/zinc/89/98/82/1215899882.db2.gz JGGBDGIXRHNVIR-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055957079 1215926657 /nfs/dbraw/zinc/92/66/57/1215926657.db2.gz YGHWPJLJCJCLOX-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CCN(Cc4nnnn4C)CC3)CC2)CC[N@@H+]1C ZINC001000159475 1216013386 /nfs/dbraw/zinc/01/33/86/1216013386.db2.gz APLSTPUREDRNGH-UKRRQHHQSA-N 2 0 361.494 0.411 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@@H]3CCNC3=O)cc2F)CC[N@@H+]1C ZINC001001522573 1216232509 /nfs/dbraw/zinc/23/25/09/1216232509.db2.gz FVMGQDRHBVFLME-SRCQZFHVSA-N 2 0 362.449 0.760 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001050328916 1216308590 /nfs/dbraw/zinc/30/85/90/1216308590.db2.gz OWPYWNCDVLBDRQ-YHUYYLMFSA-N 2 0 363.510 0.705 20 0 FCADRP O=C([C@@H]1CCCc2nccn21)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222892356 1225662994 /nfs/dbraw/zinc/66/29/94/1225662994.db2.gz MQFDQIFQEHTAOI-IKGGRYGDSA-N 2 0 362.474 0.692 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCCC2=O)CC3)CC[N@@H+]1C ZINC001050525010 1216331244 /nfs/dbraw/zinc/33/12/44/1216331244.db2.gz PVQVFCFUHPQOQT-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)C12CCC[NH+](CCC1)C2 ZINC001222968194 1225671385 /nfs/dbraw/zinc/67/13/85/1225671385.db2.gz IZFQZZMYWJIOKT-MSOLQXFVSA-N 2 0 365.518 0.794 20 0 FCADRP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624670 1216470421 /nfs/dbraw/zinc/47/04/21/1216470421.db2.gz SKAPNDFNWRGVSK-BZUAXINKSA-N 2 0 364.494 0.264 20 0 FCADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001057739311 1216530786 /nfs/dbraw/zinc/53/07/86/1216530786.db2.gz UVJKOOMBQCIUSH-BRWVUGGUSA-N 2 0 370.538 0.384 20 0 FCADRP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC001223242480 1225693120 /nfs/dbraw/zinc/69/31/20/1225693120.db2.gz SCXSNSWFXYDESN-WRQOLXDDSA-N 2 0 365.522 0.377 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885020 1216765506 /nfs/dbraw/zinc/76/55/06/1216765506.db2.gz LOBQGMDCTFVFBL-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001070015232 1216898340 /nfs/dbraw/zinc/89/83/40/1216898340.db2.gz MJLXXDATWFKXGF-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130119 1225760337 /nfs/dbraw/zinc/76/03/37/1225760337.db2.gz OAHHXZQMFKBGKT-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233496 1225766620 /nfs/dbraw/zinc/76/66/20/1225766620.db2.gz ULQTVNUBHMWDBR-KURKYZTESA-N 2 0 363.506 0.507 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)CO)CC1 ZINC001276958256 1225767097 /nfs/dbraw/zinc/76/70/97/1225767097.db2.gz GBGQIHZHFRWAAM-QZTJIDSGSA-N 2 0 366.550 0.708 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001095964918 1217789326 /nfs/dbraw/zinc/78/93/26/1217789326.db2.gz IDBNRZYGOCRXBR-RANZSIQMSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H](CO)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276974054 1225780553 /nfs/dbraw/zinc/78/05/53/1225780553.db2.gz LZGCHTRCLKPMKS-ROUUACIJSA-N 2 0 366.550 0.471 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000900065898 1217958992 /nfs/dbraw/zinc/95/89/92/1217958992.db2.gz MVQPQFTXIBABCU-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3ccnn3CC[NH+](C)C)CC2)c1 ZINC000900584632 1218008836 /nfs/dbraw/zinc/00/88/36/1218008836.db2.gz NBMCEZYUOAKBIW-UHFFFAOYSA-N 2 0 358.446 0.811 20 0 FCADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001046381568 1218031467 /nfs/dbraw/zinc/03/14/67/1218031467.db2.gz WNCWKESVZIGQGN-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047384225 1218136073 /nfs/dbraw/zinc/13/60/73/1218136073.db2.gz NKXDMFBEJNQJBO-XWSJACJDSA-N 2 0 365.518 0.647 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCn2cncn2)CC[N@@H+]1C ZINC001048527603 1218280970 /nfs/dbraw/zinc/28/09/70/1218280970.db2.gz MMUCFWIDAFADSI-UYTYNIKBSA-N 2 0 360.506 0.978 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)O1 ZINC001048537216 1218283245 /nfs/dbraw/zinc/28/32/45/1218283245.db2.gz MUMYHSUCPIDMOX-NQNKBUKLSA-N 2 0 366.506 0.153 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnnn4CC)C[C@@H]3C2)CC[N@@H+]1C ZINC001048827892 1218321983 /nfs/dbraw/zinc/32/19/83/1218321983.db2.gz LKBWYRVZKCFJLB-CIRFHOKZSA-N 2 0 360.506 0.919 20 0 FCADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000903731642 1218509974 /nfs/dbraw/zinc/50/99/74/1218509974.db2.gz IUOHEZKGVLXXEP-INIZCTEOSA-N 2 0 373.501 0.497 20 0 FCADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733531 1218509995 /nfs/dbraw/zinc/50/99/95/1218509995.db2.gz NFISMQHLRMBULU-RDTXWAMCSA-N 2 0 357.462 0.254 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769869 1218521702 /nfs/dbraw/zinc/52/17/02/1218521702.db2.gz QJNKAXXCCFGWFD-MBOZVWFJSA-N 3 0 374.533 0.767 20 0 FCADRP c1c([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770849 1218521743 /nfs/dbraw/zinc/52/17/43/1218521743.db2.gz ZKXZAFJLYYHKBH-MUQADHOPSA-N 2 0 361.490 0.803 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC000903777824 1218523156 /nfs/dbraw/zinc/52/31/56/1218523156.db2.gz DBQURFCAYGQIAW-LIRRHRJNSA-N 2 0 357.458 0.506 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793972 1218529096 /nfs/dbraw/zinc/52/90/96/1218529096.db2.gz LPFWYQNNQQECKD-HNNXBMFYSA-N 2 0 362.474 0.840 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)CC1 ZINC001097092372 1218686675 /nfs/dbraw/zinc/68/66/75/1218686675.db2.gz LATABYDZNAZUAW-QQXKLLMISA-N 2 0 365.518 0.837 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001226316788 1225839959 /nfs/dbraw/zinc/83/99/59/1225839959.db2.gz ZGCQVWKRTWYJTN-QBPKDAKJSA-N 2 0 373.501 0.917 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)C12CCC[NH+](CCC1)C2 ZINC001097317440 1218774147 /nfs/dbraw/zinc/77/41/47/1218774147.db2.gz AAGOYDNBVUUTAT-ZACQAIPSSA-N 2 0 358.490 0.876 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001226613429 1225848954 /nfs/dbraw/zinc/84/89/54/1225848954.db2.gz HOISGQLJPNGNPF-RBSFLKMASA-N 2 0 367.494 0.333 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@@H+]1C ZINC001054134601 1218899118 /nfs/dbraw/zinc/89/91/18/1218899118.db2.gz IRLQCOIOPHGXLK-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001226767107 1225854241 /nfs/dbraw/zinc/85/42/41/1225854241.db2.gz QJUNQGGLNIMONW-BRWVUGGUSA-N 2 0 363.506 0.745 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000826882996 1218909919 /nfs/dbraw/zinc/90/99/19/1218909919.db2.gz QSCQGLHKBRKOLL-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226890807 1225856995 /nfs/dbraw/zinc/85/69/95/1225856995.db2.gz OSXALJDPHVGYAJ-RRFJBIMHSA-N 2 0 367.494 0.333 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000827043199 1218979861 /nfs/dbraw/zinc/97/98/61/1218979861.db2.gz HHVYFZPIBNVZGJ-CALCHBBNSA-N 2 0 369.554 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001055538271 1219071790 /nfs/dbraw/zinc/07/17/90/1219071790.db2.gz BHBZQSGBHAOUOK-HLLBOEOZSA-N 2 0 366.506 0.060 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055583120 1219087535 /nfs/dbraw/zinc/08/75/35/1219087535.db2.gz YZSRKGPNBYMUAX-RYQLBKOJSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)CC[N@@H+]1C ZINC001055583159 1219088131 /nfs/dbraw/zinc/08/81/31/1219088131.db2.gz AXWIYVVJGLNYSF-UKRRQHHQSA-N 2 0 362.478 0.060 20 0 FCADRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001055587123 1219090057 /nfs/dbraw/zinc/09/00/57/1219090057.db2.gz RKHSBBNBUIETRT-QOKNQOGYSA-N 2 0 366.506 0.060 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804051646 1219105056 /nfs/dbraw/zinc/10/50/56/1219105056.db2.gz APOIPSXKILVEOZ-HZPDHXFCSA-N 2 0 364.490 0.053 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000804057587 1219111013 /nfs/dbraw/zinc/11/10/13/1219111013.db2.gz AZRMTDACWDJKNX-LUKYLMHMSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000804058931 1219112491 /nfs/dbraw/zinc/11/24/91/1219112491.db2.gz GYWYMNXUQWIJDH-BRWVUGGUSA-N 2 0 366.506 0.347 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059495 1219115419 /nfs/dbraw/zinc/11/54/19/1219115419.db2.gz IUNNTWTYGONNEJ-BBWFWOEESA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208996 1219294531 /nfs/dbraw/zinc/29/45/31/1219294531.db2.gz HTTVPLNZXVVYKP-SQNIBIBYSA-N 2 0 369.473 0.555 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070208991 1219294663 /nfs/dbraw/zinc/29/46/63/1219294663.db2.gz HOMZJLYEVPAPGM-ZACQAIPSSA-N 2 0 362.478 0.283 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CC[NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC001070238681 1219312509 /nfs/dbraw/zinc/31/25/09/1219312509.db2.gz APECFBASEWJWAI-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070327675 1219378346 /nfs/dbraw/zinc/37/83/46/1219378346.db2.gz ASNAXEDQKMEWQY-ZACQAIPSSA-N 2 0 364.494 0.244 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070367156 1219398541 /nfs/dbraw/zinc/39/85/41/1219398541.db2.gz HNNHOFHYYANIDL-LMMKCTJWSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cn(C)cn1 ZINC001070513271 1219447912 /nfs/dbraw/zinc/44/79/12/1219447912.db2.gz DSCGNVHPLWLZCK-RPVQJOFSSA-N 2 0 368.441 0.646 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070520770 1219450734 /nfs/dbraw/zinc/45/07/34/1219450734.db2.gz HETFTOXGBGJLTD-YQQAZPJKSA-N 2 0 363.506 0.559 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070525000 1219452694 /nfs/dbraw/zinc/45/26/94/1219452694.db2.gz OADRZOZXVYPYFG-SOLBZPMBSA-N 2 0 363.506 0.418 20 0 FCADRP COc1ccnc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277261522 1225893795 /nfs/dbraw/zinc/89/37/95/1225893795.db2.gz XQTYVIPTVANDOM-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC001070574777 1219476759 /nfs/dbraw/zinc/47/67/59/1219476759.db2.gz VJGJSOPZCXBTND-LXTVHRRPSA-N 2 0 364.494 0.979 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070717874 1219540527 /nfs/dbraw/zinc/54/05/27/1219540527.db2.gz ACEQVDOPFXUEHX-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070718642 1219541053 /nfs/dbraw/zinc/54/10/53/1219541053.db2.gz DEBCGPYDAOOKGQ-QZTJIDSGSA-N 2 0 368.485 0.995 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070719309 1219541573 /nfs/dbraw/zinc/54/15/73/1219541573.db2.gz YVWXTEFCMUHTEL-IAGOWNOFSA-N 2 0 371.489 0.334 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001277283471 1225906283 /nfs/dbraw/zinc/90/62/83/1225906283.db2.gz QTDGBAHNJJFRQM-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001228260982 1225906366 /nfs/dbraw/zinc/90/63/66/1225906366.db2.gz HENPQBOSKAIQMT-HUUCEWRRSA-N 2 0 367.494 0.287 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071063225 1219598149 /nfs/dbraw/zinc/59/81/49/1219598149.db2.gz LBCLVEJOJYYTMI-MDZRGWNJSA-N 2 0 366.506 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCN(CC)C2=O)C3)CC[N@@H+]1C ZINC001072755159 1219621365 /nfs/dbraw/zinc/62/13/65/1219621365.db2.gz WWQMPSBNJQRGDJ-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785692 1219681584 /nfs/dbraw/zinc/68/15/84/1219681584.db2.gz PLWQZEJHTWNPEO-QRVBRYPASA-N 2 0 361.486 0.531 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3CC2)CC[N@@H+]1C ZINC001074337255 1219686145 /nfs/dbraw/zinc/68/61/45/1219686145.db2.gz KQEJVTGMYNDVBH-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074656386 1219711412 /nfs/dbraw/zinc/71/14/12/1219711412.db2.gz JPEVOQFGLRJZFO-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001228356132 1225914279 /nfs/dbraw/zinc/91/42/79/1225914279.db2.gz ZYDCSEOQZLECNO-NWANDNLSSA-N 2 0 367.494 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CCOCCO)CC2)CC[N@@H+]1C ZINC001098371517 1219767672 /nfs/dbraw/zinc/76/76/72/1219767672.db2.gz WFXBDMAUNCVPGN-ZWKOTPCHSA-N 2 0 371.522 0.011 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001099101193 1219913267 /nfs/dbraw/zinc/91/32/67/1219913267.db2.gz MTLIBYXARIRKFS-ZWOKBUDYSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267361 1220256122 /nfs/dbraw/zinc/25/61/22/1220256122.db2.gz AXGYEWQLWIQDFN-KPFFTGBYSA-N 2 0 364.534 0.879 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268567 1220257361 /nfs/dbraw/zinc/25/73/61/1220257361.db2.gz IVLPMPSCPAFVNK-UZLBHIALSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101278382 1220264710 /nfs/dbraw/zinc/26/47/10/1220264710.db2.gz GRVVYLMAFIJUIE-MJGOQNOKSA-N 2 0 365.518 0.652 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279347 1220264729 /nfs/dbraw/zinc/26/47/29/1220264729.db2.gz LUPQCYZTCZYQNL-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286388 1220268339 /nfs/dbraw/zinc/26/83/39/1220268339.db2.gz VPZBAGFBBWIUFU-BEFAXECRSA-N 2 0 359.474 0.434 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4nccn43)C[C@]2(C)C1 ZINC001101297038 1220274735 /nfs/dbraw/zinc/27/47/35/1220274735.db2.gz LKTBKIIUZNLXMH-VCBZYWHSSA-N 2 0 358.442 0.736 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299059 1220276114 /nfs/dbraw/zinc/27/61/14/1220276114.db2.gz FMVOURYMBSVTBY-BEFAXECRSA-N 2 0 355.442 0.864 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101316995 1220284601 /nfs/dbraw/zinc/28/46/01/1220284601.db2.gz BBHWAWKVHBFFKT-MDZRGWNJSA-N 2 0 361.490 0.968 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101340050 1220292986 /nfs/dbraw/zinc/29/29/86/1220292986.db2.gz RNWMWGYGDUSIEA-LJCCNALRSA-N 2 0 364.534 0.975 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342736 1220295674 /nfs/dbraw/zinc/29/56/74/1220295674.db2.gz KXWRYCXMBATKLD-APWZRJJASA-N 2 0 364.534 0.977 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432205 1220341263 /nfs/dbraw/zinc/34/12/63/1220341263.db2.gz HHRFUKRSKNQODW-QKLQHJQFSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436670 1220344355 /nfs/dbraw/zinc/34/43/55/1220344355.db2.gz CFYPRLCXMHYCRU-LBTNJELSSA-N 2 0 367.494 0.082 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCCOCC)C[C@@]2(C)C1 ZINC001101438714 1220345833 /nfs/dbraw/zinc/34/58/33/1220345833.db2.gz PRGSJEIDYFOHCX-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476120 1220366271 /nfs/dbraw/zinc/36/62/71/1220366271.db2.gz CTBRDUUNEZJJGK-AOIWGVFYSA-N 2 0 363.506 0.365 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090754 1220493354 /nfs/dbraw/zinc/49/33/54/1220493354.db2.gz BYSYTFCILRAEBH-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102101298 1220495602 /nfs/dbraw/zinc/49/56/02/1220495602.db2.gz WSQZJKKELYBSCD-ZACQAIPSSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108585 1220499408 /nfs/dbraw/zinc/49/94/08/1220499408.db2.gz SXRYJYQGPFAGIO-IAGOWNOFSA-N 2 0 364.490 0.601 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185530 1220541602 /nfs/dbraw/zinc/54/16/02/1220541602.db2.gz GVNHEIDAUFDFMB-SUMDDJOVSA-N 2 0 362.518 0.777 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273513 1220569403 /nfs/dbraw/zinc/56/94/03/1220569403.db2.gz FCWMURYRWJZRJQ-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320643 1220582433 /nfs/dbraw/zinc/58/24/33/1220582433.db2.gz MTFPKHIVXHTGIF-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370044 1220595143 /nfs/dbraw/zinc/59/51/43/1220595143.db2.gz PAOQWZBCAJOREL-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370111 1220596174 /nfs/dbraw/zinc/59/61/74/1220596174.db2.gz RHHZKBWXRGEESF-JFIYKMOQSA-N 2 0 364.534 0.881 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370156 1220596217 /nfs/dbraw/zinc/59/62/17/1220596217.db2.gz SLAPFRQWLCUPAY-JFIYKMOQSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430152 1220622165 /nfs/dbraw/zinc/62/21/65/1220622165.db2.gz GQEXXOBLZBILBH-UKRRQHHQSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511120 1220669877 /nfs/dbraw/zinc/66/98/77/1220669877.db2.gz KDOZYSYZEXJKCK-NVXWUHKLSA-N 2 0 364.490 0.148 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)cn1 ZINC001102513737 1220671781 /nfs/dbraw/zinc/67/17/81/1220671781.db2.gz ZLMGPGOYJMHTFL-SJLPKXTDSA-N 2 0 365.522 0.708 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578326 1220700414 /nfs/dbraw/zinc/70/04/14/1220700414.db2.gz WEGNFLMRWWOWPR-BZUAXINKSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C ZINC001102581034 1220705798 /nfs/dbraw/zinc/70/57/98/1220705798.db2.gz WMXXPXOOFQSACF-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599170 1220720972 /nfs/dbraw/zinc/72/09/72/1220720972.db2.gz SCNMTDNXTMQOHV-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601034 1220722669 /nfs/dbraw/zinc/72/26/69/1220722669.db2.gz HKDQRNCFEFNSQS-BRWVUGGUSA-N 2 0 370.538 0.552 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229212896 1225989940 /nfs/dbraw/zinc/98/99/40/1225989940.db2.gz DUWQFZLWWORSDD-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783178 1220781312 /nfs/dbraw/zinc/78/13/12/1220781312.db2.gz YGQWNHWXADKZTP-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781988 1220781560 /nfs/dbraw/zinc/78/15/60/1220781560.db2.gz FXDPCUJLWFUVHG-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782266 1220781669 /nfs/dbraw/zinc/78/16/69/1220781669.db2.gz JHLRFADGDHIYBL-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993667 1220817340 /nfs/dbraw/zinc/81/73/40/1220817340.db2.gz DKHYUSWALAUGAP-NXHRZFHOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001103000149 1220818408 /nfs/dbraw/zinc/81/84/08/1220818408.db2.gz VKISDWOISYZXPR-QLFBSQMISA-N 2 0 364.494 0.006 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060595 1220826508 /nfs/dbraw/zinc/82/65/08/1220826508.db2.gz UUGDYHTUDTVHHU-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089883 1220830744 /nfs/dbraw/zinc/83/07/44/1220830744.db2.gz DQIBDRZWXSTODV-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141751 1220839977 /nfs/dbraw/zinc/83/99/77/1220839977.db2.gz SIGURQMSVKUYHL-KURKYZTESA-N 2 0 367.534 0.944 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103192124 1220848821 /nfs/dbraw/zinc/84/88/21/1220848821.db2.gz BFIXUIWXFSYYMX-UNEWFSDZSA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308880 1220864954 /nfs/dbraw/zinc/86/49/54/1220864954.db2.gz JNNHRGCURYJDBD-ZIAGYGMSSA-N 2 0 367.494 0.130 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380448 1220874360 /nfs/dbraw/zinc/87/43/60/1220874360.db2.gz XEBQFNMHERQUCZ-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103445011 1220884764 /nfs/dbraw/zinc/88/47/64/1220884764.db2.gz UFJTVQINLULVDT-KFWWJZLASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723362 1220951790 /nfs/dbraw/zinc/95/17/90/1220951790.db2.gz GPAYXIWAUXCFGJ-HZPDHXFCSA-N 2 0 364.490 0.305 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722423 1220953202 /nfs/dbraw/zinc/95/32/02/1220953202.db2.gz MUAHVJNKMDFUEA-IAGOWNOFSA-N 2 0 368.522 0.309 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999905 1220996760 /nfs/dbraw/zinc/99/67/60/1220996760.db2.gz ORJYBNIBICLPRT-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999995 1220996932 /nfs/dbraw/zinc/99/69/32/1220996932.db2.gz RIAUYWNAFVASDF-BZUAXINKSA-N 2 0 363.510 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104202631 1221020745 /nfs/dbraw/zinc/02/07/45/1221020745.db2.gz JOQNXYJHBMVXHJ-BMFZPTHFSA-N 2 0 361.494 0.126 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104202632 1221020904 /nfs/dbraw/zinc/02/09/04/1221020904.db2.gz JOQNXYJHBMVXHJ-FVQBIDKESA-N 2 0 361.494 0.126 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202917 1221021096 /nfs/dbraw/zinc/02/10/96/1221021096.db2.gz VXEWUHLRHLIFCX-NXHRZFHOSA-N 2 0 364.534 0.927 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001229388395 1226007605 /nfs/dbraw/zinc/00/76/05/1226007605.db2.gz FOUFMENVDZMSPN-BRWVUGGUSA-N 2 0 366.506 0.393 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2)[NH+](C)C ZINC001111789281 1221109849 /nfs/dbraw/zinc/10/98/49/1221109849.db2.gz KFLPYQDBUSHPEF-FCEWJHQRSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796066 1221113622 /nfs/dbraw/zinc/11/36/22/1221113622.db2.gz RVYJLSVZLBQZDY-VCBZYWHSSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796065 1221113814 /nfs/dbraw/zinc/11/38/14/1221113814.db2.gz RVYJLSVZLBQZDY-DOXZYTNZSA-N 2 0 359.474 0.752 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)c1ccc2c[nH+]cn2c1 ZINC001111807896 1221121258 /nfs/dbraw/zinc/12/12/58/1221121258.db2.gz LSHGOTATYKCRPF-LPHOPBHVSA-N 2 0 358.442 0.928 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)CC1 ZINC001111855967 1221138424 /nfs/dbraw/zinc/13/84/24/1221138424.db2.gz UVMTXTPOKMJNJK-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857924 1221138602 /nfs/dbraw/zinc/13/86/02/1221138602.db2.gz FTTUDTWPSPXEQF-HKUYNNGSSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111870733 1221143822 /nfs/dbraw/zinc/14/38/22/1221143822.db2.gz LVZUYBZLORTVED-KNBMTAEXSA-N 2 0 362.518 0.825 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111951140 1221182141 /nfs/dbraw/zinc/18/21/41/1221182141.db2.gz UXPIEPVKPBAZEK-KHYOSLBOSA-N 2 0 364.490 0.494 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983128 1221193059 /nfs/dbraw/zinc/19/30/59/1221193059.db2.gz CJPIVCSSSRWUFL-AOIWGVFYSA-N 2 0 366.506 0.062 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112285218 1221230618 /nfs/dbraw/zinc/23/06/18/1221230618.db2.gz PRKZKKONHIYTIQ-BXWFABGCSA-N 2 0 363.506 0.324 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001112355731 1221245216 /nfs/dbraw/zinc/24/52/16/1221245216.db2.gz PECHSQMAPMEFCW-QKLQHJQFSA-N 2 0 362.518 0.635 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229693427 1226028710 /nfs/dbraw/zinc/02/87/10/1226028710.db2.gz SCVFZYHHVIBEDZ-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229710138 1226029897 /nfs/dbraw/zinc/02/98/97/1226029897.db2.gz MSQDVAYFXQIDJD-HZPDHXFCSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799144585 1221303561 /nfs/dbraw/zinc/30/35/61/1221303561.db2.gz HCUSKDSVFIGRCU-INIZCTEOSA-N 2 0 364.490 0.496 20 0 FCADRP C[C@@H](CCN1CC[NH+](CC(C)(C)O)CC1)N1CC[NH+](CC(C)(C)O)CC1 ZINC001116326290 1221353572 /nfs/dbraw/zinc/35/35/72/1221353572.db2.gz PRIURZXKOANPLR-SFHVURJKSA-N 2 0 370.582 0.542 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116791772 1221391222 /nfs/dbraw/zinc/39/12/22/1221391222.db2.gz SEDZJEPTIBWMSO-QGZVFWFLSA-N 2 0 370.457 0.940 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)C2)CC1 ZINC001117772257 1221622518 /nfs/dbraw/zinc/62/25/18/1221622518.db2.gz BOGRPWNIKBKQOZ-HXUWFJFHSA-N 2 0 372.513 0.643 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001230138850 1226057373 /nfs/dbraw/zinc/05/73/73/1226057373.db2.gz TXUIVUCKVZIKKD-RRFJBIMHSA-N 2 0 360.462 0.384 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001230149742 1226058825 /nfs/dbraw/zinc/05/88/25/1226058825.db2.gz QUWFABNKGYRUTB-BRWVUGGUSA-N 2 0 364.494 0.263 20 0 FCADRP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149552 1226058865 /nfs/dbraw/zinc/05/88/65/1226058865.db2.gz NJJLHGJSERXVCP-KZNAEPCWSA-N 2 0 371.522 0.635 20 0 FCADRP Cc1cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001118019043 1221688344 /nfs/dbraw/zinc/68/83/44/1221688344.db2.gz MBTMELSHVZISCI-QGZVFWFLSA-N 2 0 360.506 0.853 20 0 FCADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC001118221654 1221736690 /nfs/dbraw/zinc/73/66/90/1221736690.db2.gz GUMMPJOQRQBVIR-IBGZPJMESA-N 2 0 370.501 0.165 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118678845 1221818398 /nfs/dbraw/zinc/81/83/98/1221818398.db2.gz RVLIQIMJNLDQOV-SJORKVTESA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001118921819 1221844964 /nfs/dbraw/zinc/84/49/64/1221844964.db2.gz FYMSLRRDHJJYCF-XMTFNYHQSA-N 2 0 364.534 0.925 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001119343902 1221901954 /nfs/dbraw/zinc/90/19/54/1221901954.db2.gz RRVZGBGTASWCDK-KSZLIROESA-N 2 0 356.470 0.903 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362158 1221905984 /nfs/dbraw/zinc/90/59/84/1221905984.db2.gz ILOFBILMSSLPCP-WMZOPIPTSA-N 2 0 360.502 0.987 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410145 1221913446 /nfs/dbraw/zinc/91/34/46/1221913446.db2.gz UVYGVDWPMMXFHN-JKSUJKDBSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119482217 1221923049 /nfs/dbraw/zinc/92/30/49/1221923049.db2.gz FIORMZPBCQBIFC-RCCFBDPRSA-N 2 0 367.538 0.552 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001119610830 1221940074 /nfs/dbraw/zinc/94/00/74/1221940074.db2.gz HMEQTLHICYLVPV-GOEBONIOSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001119610934 1221940274 /nfs/dbraw/zinc/94/02/74/1221940274.db2.gz KKUKIBDPRJBABX-HUUCEWRRSA-N 2 0 359.474 0.752 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001120583028 1222106259 /nfs/dbraw/zinc/10/62/59/1222106259.db2.gz MLVKUSONMWXDBJ-IBGZPJMESA-N 2 0 358.490 0.871 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001120590032 1222107239 /nfs/dbraw/zinc/10/72/39/1222107239.db2.gz JZIOINAONVTRQB-PBHICJAKSA-N 2 0 361.490 0.633 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C3=NO[C@]4(C3)CCC[NH2+]C4)CC2)c1 ZINC001121920677 1222223756 /nfs/dbraw/zinc/22/37/56/1222223756.db2.gz KCUJGXFAXKQNHJ-SFHVURJKSA-N 2 0 359.430 0.637 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069795 1222238383 /nfs/dbraw/zinc/23/83/83/1222238383.db2.gz GALDXTLWWGNOPR-YESZJQIVSA-N 2 0 363.506 0.606 20 0 FCADRP O=C1N[C@H]2C[NH+](C/C=C/C[N@@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915176 1222485792 /nfs/dbraw/zinc/48/57/92/1222485792.db2.gz BEMFOJUURMBYDZ-YNUZLXHFSA-N 2 0 364.446 0.403 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210640 1222636726 /nfs/dbraw/zinc/63/67/26/1222636726.db2.gz WXEOKSPKBNKWSA-IBGZPJMESA-N 2 0 372.513 0.911 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000841018533 1222805698 /nfs/dbraw/zinc/80/56/98/1222805698.db2.gz VZEKZPBVNYGTQJ-SFHVURJKSA-N 2 0 360.506 0.935 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109928 1222808026 /nfs/dbraw/zinc/80/80/26/1222808026.db2.gz OIUKLAYKASSHCH-YOEHRIQHSA-N 2 0 360.458 0.905 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000841148597 1222809931 /nfs/dbraw/zinc/80/99/31/1222809931.db2.gz URARXTKZMQNBRD-INIZCTEOSA-N 2 0 359.474 0.587 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000841162190 1222811400 /nfs/dbraw/zinc/81/14/00/1222811400.db2.gz XWBUJIJVRLHRII-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841165479 1222811534 /nfs/dbraw/zinc/81/15/34/1222811534.db2.gz XEGDXWKFDXKBLC-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000841222353 1222814638 /nfs/dbraw/zinc/81/46/38/1222814638.db2.gz VSPGZUZGVXNYPP-UHFFFAOYSA-N 2 0 359.474 0.717 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841845886 1222829985 /nfs/dbraw/zinc/82/99/85/1222829985.db2.gz AEUOUPVQSFHUAY-MRXNPFEDSA-N 2 0 374.441 0.402 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842011503 1222832496 /nfs/dbraw/zinc/83/24/96/1222832496.db2.gz PEAAMAAHRIXLOT-PKOBYXMFSA-N 2 0 362.474 0.253 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188519 1222839300 /nfs/dbraw/zinc/83/93/00/1222839300.db2.gz HCRBYUYTMKKEER-FQEVSTJZSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842190928 1222839801 /nfs/dbraw/zinc/83/98/01/1222839801.db2.gz VCYTVEMCYFJPQO-PXNSSMCTSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000842513395 1222848587 /nfs/dbraw/zinc/84/85/87/1222848587.db2.gz XTAZZPRVZPPYFS-GVDBMIGSSA-N 2 0 357.458 0.433 20 0 FCADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843057865 1222858256 /nfs/dbraw/zinc/85/82/56/1222858256.db2.gz NAALLSBNBJYCAJ-AEFFLSMTSA-N 2 0 374.485 0.631 20 0 FCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378473 1222874772 /nfs/dbraw/zinc/87/47/72/1222874772.db2.gz ZQZCAUANZHXYEJ-AWEZNQCLSA-N 2 0 365.478 0.723 20 0 FCADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000843474851 1222877651 /nfs/dbraw/zinc/87/76/51/1222877651.db2.gz XSYKUMMNPUSXET-CQSZACIVSA-N 2 0 356.430 0.748 20 0 FCADRP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001277697488 1226160533 /nfs/dbraw/zinc/16/05/33/1226160533.db2.gz CMGIGQGUVDGEHV-IBGZPJMESA-N 2 0 362.474 0.764 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703914 1226163917 /nfs/dbraw/zinc/16/39/17/1226163917.db2.gz ISTWFYDJLQGVJX-FXAWDEMLSA-N 2 0 361.486 0.912 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)CC)CC2 ZINC001277712495 1226168182 /nfs/dbraw/zinc/16/81/82/1226168182.db2.gz IGLTWEGYCMLUHN-HZPDHXFCSA-N 2 0 369.506 0.423 20 0 FCADRP CCOC(=O)[C@]12CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001154687031 1223015941 /nfs/dbraw/zinc/01/59/41/1223015941.db2.gz KNTCIBFXYCAXGU-FOIQADDNSA-N 3 0 373.501 0.988 20 0 FCADRP CC(C)N(CCC[NH3+])c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001156118664 1223049641 /nfs/dbraw/zinc/04/96/41/1223049641.db2.gz QUWILKHAJHVWGK-UHFFFAOYSA-N 2 0 365.482 0.108 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081927 1223067538 /nfs/dbraw/zinc/06/75/38/1223067538.db2.gz FXQFKAZVZSINDU-XUWXXGDYSA-N 2 0 364.446 0.549 20 0 FCADRP Cc1cc2c(c(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)n1)C(=O)NC2=O ZINC001157841593 1223082998 /nfs/dbraw/zinc/08/29/98/1223082998.db2.gz FQLTZPCHVXBOEY-UHFFFAOYSA-N 2 0 357.458 0.737 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)CC1 ZINC001157837756 1223083032 /nfs/dbraw/zinc/08/30/32/1223083032.db2.gz YQRPUXNVHFVLMN-UHFFFAOYSA-N 3 0 373.549 0.692 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)Cc1c[nH]c2ccccc12 ZINC001158093159 1223088439 /nfs/dbraw/zinc/08/84/39/1223088439.db2.gz UZPGQAHOEWIQOO-LIRRHRJNSA-N 2 0 355.442 0.118 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001158092580 1223088478 /nfs/dbraw/zinc/08/84/78/1223088478.db2.gz NYMOWEGSPAFKHA-IRXDYDNUSA-N 2 0 354.454 0.829 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091313 1223088657 /nfs/dbraw/zinc/08/86/57/1223088657.db2.gz AEGSPPYXBQGOPR-XJKSGUPXSA-N 2 0 370.375 0.266 20 0 FCADRP NC1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001158167404 1223090068 /nfs/dbraw/zinc/09/00/68/1223090068.db2.gz IRZLDTWLFNBNCD-QZTJIDSGSA-N 2 0 358.486 0.427 20 0 FCADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158168788 1223090110 /nfs/dbraw/zinc/09/01/10/1223090110.db2.gz OMRXDMOAQMDSQE-APWZRJJASA-N 2 0 370.457 0.748 20 0 FCADRP O=C(c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158167047 1223090121 /nfs/dbraw/zinc/09/01/21/1223090121.db2.gz HQMGEICLYWLJGO-SJORKVTESA-N 2 0 354.454 0.844 20 0 FCADRP Cc1ccc([C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)N2CCC[NH2+]CC2)cc1 ZINC001158180544 1223090627 /nfs/dbraw/zinc/09/06/27/1223090627.db2.gz ZXZSEUVUIQDQDI-AQNXPRMDSA-N 2 0 372.513 0.778 20 0 FCADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262564 1223092466 /nfs/dbraw/zinc/09/24/66/1223092466.db2.gz STWYTNBJHCOMLU-KXBFYZLASA-N 2 0 374.489 0.248 20 0 FCADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001158282641 1223094214 /nfs/dbraw/zinc/09/42/14/1223094214.db2.gz UMOUMACMZJYXCT-IKGGRYGDSA-N 2 0 366.506 0.060 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319556 1223094548 /nfs/dbraw/zinc/09/45/48/1223094548.db2.gz IEXNKNDRBDEYPR-DLBZAZTESA-N 2 0 354.454 0.900 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319558 1223094742 /nfs/dbraw/zinc/09/47/42/1223094742.db2.gz IEXNKNDRBDEYPR-IRXDYDNUSA-N 2 0 354.454 0.900 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC001158497779 1223100605 /nfs/dbraw/zinc/10/06/05/1223100605.db2.gz HRPQCIFYTRQJKU-SJWGOKEGSA-N 2 0 361.417 0.765 20 0 FCADRP O=C(c1cccnc1O[C@H]1CC[NH2+]C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544266 1223101799 /nfs/dbraw/zinc/10/17/99/1223101799.db2.gz CDRMJCMTTFZKGB-XTDOFWJNSA-N 2 0 358.442 0.415 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555830 1223102402 /nfs/dbraw/zinc/10/24/02/1223102402.db2.gz PDQLKRPKRMQDRF-UWVAXJGDSA-N 2 0 356.470 0.542 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158578986 1223103326 /nfs/dbraw/zinc/10/33/26/1223103326.db2.gz NNAPLLKAWDHXJW-OAGGEKHMSA-N 2 0 362.449 0.208 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(CCCN2c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001158759591 1223107304 /nfs/dbraw/zinc/10/73/04/1223107304.db2.gz RLNUQLAFDWIXDL-INIZCTEOSA-N 2 0 358.490 0.765 20 0 FCADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158791535 1223109486 /nfs/dbraw/zinc/10/94/86/1223109486.db2.gz XBAUTDKPXRMFRV-KBPBESRZSA-N 2 0 362.478 0.244 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903790 1223112242 /nfs/dbraw/zinc/11/22/42/1223112242.db2.gz OYAOEYIDUHHTOO-YEWWUXTCSA-N 3 0 365.453 0.531 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927049 1223112800 /nfs/dbraw/zinc/11/28/00/1223112800.db2.gz WAAWOBRAPMCZJE-QFBILLFUSA-N 2 0 362.449 0.843 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001158905505 1223112813 /nfs/dbraw/zinc/11/28/13/1223112813.db2.gz XQMXHMIOIHXVQV-DTZQCDIJSA-N 2 0 361.446 0.092 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159029607 1223115613 /nfs/dbraw/zinc/11/56/13/1223115613.db2.gz LNJQJWNICXIZNQ-UHFFFAOYSA-N 2 0 359.474 0.361 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159217832 1223121095 /nfs/dbraw/zinc/12/10/95/1223121095.db2.gz AIPQVORKBGVDDP-RCCFBDPRSA-N 2 0 362.474 0.685 20 0 FCADRP CO[C@@H]1CCN(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316772 1223124121 /nfs/dbraw/zinc/12/41/21/1223124121.db2.gz MISPAVXKAVCNAY-RCCFBDPRSA-N 2 0 373.501 0.210 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316202 1223124262 /nfs/dbraw/zinc/12/42/62/1223124262.db2.gz DFVFMHFNXOWFDO-BSDSXHPESA-N 3 0 361.490 0.196 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159339258 1223124788 /nfs/dbraw/zinc/12/47/88/1223124788.db2.gz MXIWALQMNPRZNQ-AWEZNQCLSA-N 2 0 366.437 0.688 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001159411431 1223126228 /nfs/dbraw/zinc/12/62/28/1223126228.db2.gz CACYAAHOZYYTOE-HXUWFJFHSA-N 2 0 357.502 0.975 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159548523 1223129080 /nfs/dbraw/zinc/12/90/80/1223129080.db2.gz BIBWRVUWFBZJLZ-UHFFFAOYSA-N 2 0 360.506 0.599 20 0 FCADRP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159548408 1223129160 /nfs/dbraw/zinc/12/91/60/1223129160.db2.gz ADBTZUIPKAZSKM-KUHUBIRLSA-N 2 0 358.490 0.209 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549168 1223129351 /nfs/dbraw/zinc/12/93/51/1223129351.db2.gz MLYQJUOPGWUKBC-IBGZPJMESA-N 2 0 361.490 0.762 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159584105 1223129888 /nfs/dbraw/zinc/12/98/88/1223129888.db2.gz GNLGNOQJUZWMBP-HOTGVXAUSA-N 2 0 359.474 0.077 20 0 FCADRP [NH3+]CCCNCC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583495 1223129971 /nfs/dbraw/zinc/12/99/71/1223129971.db2.gz YIOHRCSANXZFEP-UHFFFAOYSA-N 2 0 373.505 0.156 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159565520 1223130026 /nfs/dbraw/zinc/13/00/26/1223130026.db2.gz FTMMOTUMCUFLBB-OAHLLOKOSA-N 2 0 370.457 0.076 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)[C@@H]2C ZINC001159633790 1223131755 /nfs/dbraw/zinc/13/17/55/1223131755.db2.gz RCRXTILQFWDYRN-ZIGSKRJUSA-N 2 0 360.506 0.848 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)[C@H]2C ZINC001159632942 1223131927 /nfs/dbraw/zinc/13/19/27/1223131927.db2.gz DDAFXFVVAITRMH-YOEHRIQHSA-N 2 0 373.505 0.930 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666250 1223132737 /nfs/dbraw/zinc/13/27/37/1223132737.db2.gz PQWBDWVWOPWOOV-IRXDYDNUSA-N 2 0 374.489 0.537 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666249 1223132844 /nfs/dbraw/zinc/13/28/44/1223132844.db2.gz PQWBDWVWOPWOOV-IAGOWNOFSA-N 2 0 374.489 0.537 20 0 FCADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@]45C[NH2+]C[C@H]4C[NH2+]CC5)C[C@@H]32)C1=O ZINC001159687733 1223134064 /nfs/dbraw/zinc/13/40/64/1223134064.db2.gz HXWFXYMXVMKVCP-AOHSKODXSA-N 2 0 373.501 0.073 20 0 FCADRP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]12 ZINC001159993751 1223142289 /nfs/dbraw/zinc/14/22/89/1223142289.db2.gz QNINRAXRHOKILK-NSHGMRRFSA-N 2 0 358.486 0.844 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160025924 1223142902 /nfs/dbraw/zinc/14/29/02/1223142902.db2.gz FPWPTWOUPUHSKZ-HZMVEIRTSA-N 2 0 366.506 0.604 20 0 FCADRP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155134 1223147621 /nfs/dbraw/zinc/14/76/21/1223147621.db2.gz DSFDJBVYARXUTF-ZSYWTGECSA-N 2 0 362.518 0.382 20 0 FCADRP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]21 ZINC001160227512 1223150836 /nfs/dbraw/zinc/15/08/36/1223150836.db2.gz JFOITIDIZBPFSL-BQFCYCMXSA-N 2 0 359.474 0.493 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160230072 1223150929 /nfs/dbraw/zinc/15/09/29/1223150929.db2.gz HDSLJZKILBQOQD-INIZCTEOSA-N 2 0 368.432 0.479 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160313040 1223154316 /nfs/dbraw/zinc/15/43/16/1223154316.db2.gz ZEWHQFYLSLGIMP-IBGZPJMESA-N 2 0 374.441 0.309 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160353512 1223155598 /nfs/dbraw/zinc/15/55/98/1223155598.db2.gz PFGSYMUJAKKLCK-ZDUSSCGKSA-N 2 0 358.402 0.273 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356580 1223156423 /nfs/dbraw/zinc/15/64/23/1223156423.db2.gz DEXUJKDKDFVUIW-KDOFPFPSSA-N 2 0 364.446 0.179 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160407773 1223157617 /nfs/dbraw/zinc/15/76/17/1223157617.db2.gz CNZAOLURWJWXNX-ZIAGYGMSSA-N 2 0 373.436 0.647 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001160422408 1223159178 /nfs/dbraw/zinc/15/91/78/1223159178.db2.gz FQOCRJTXPDMJSR-UJCHZGTJSA-N 2 0 358.486 0.863 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1)C1CC[NH2+]CC1 ZINC001160564979 1223164820 /nfs/dbraw/zinc/16/48/20/1223164820.db2.gz AIWMQKNCCKBVIV-KRWDZBQOSA-N 2 0 356.474 0.534 20 0 FCADRP [NH3+][C@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001160589543 1223166043 /nfs/dbraw/zinc/16/60/43/1223166043.db2.gz YAYIWZHVLTYXNJ-INIZCTEOSA-N 3 0 357.458 0.170 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H](c2cc3ccccc3o2)N2CC[C@@H]([NH3+])C2)CCO1 ZINC001160643724 1223167553 /nfs/dbraw/zinc/16/75/53/1223167553.db2.gz MZJDZIULRXYFOO-VKJFTORMSA-N 2 0 358.442 0.693 20 0 FCADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001160697787 1223168867 /nfs/dbraw/zinc/16/88/67/1223168867.db2.gz CSSZMGDOERUNMO-XJKSGUPXSA-N 2 0 358.446 0.462 20 0 FCADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160787487 1223172486 /nfs/dbraw/zinc/17/24/86/1223172486.db2.gz JXYZYMPNPBGJCU-BBRMVZONSA-N 2 0 365.478 0.894 20 0 FCADRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160792151 1223173278 /nfs/dbraw/zinc/17/32/78/1223173278.db2.gz QVHBSEGMFAKJSQ-KSZKVXGTSA-N 2 0 371.481 0.674 20 0 FCADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160826209 1223176744 /nfs/dbraw/zinc/17/67/44/1223176744.db2.gz VMDYZEROMDELGQ-HOCLYGCPSA-N 2 0 365.478 0.894 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160843306 1223176853 /nfs/dbraw/zinc/17/68/53/1223176853.db2.gz MHTBFFNHFOCPJF-ZDUSSCGKSA-N 2 0 374.411 0.861 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160958122 1223181947 /nfs/dbraw/zinc/18/19/47/1223181947.db2.gz XOHBEAXBZCSIED-SNPRPXQTSA-N 2 0 359.478 0.697 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)c2ccccc21 ZINC001161006223 1223182969 /nfs/dbraw/zinc/18/29/69/1223182969.db2.gz BCFNSIAOSRELDG-WMZOPIPTSA-N 2 0 356.470 0.764 20 0 FCADRP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161026408 1223183462 /nfs/dbraw/zinc/18/34/62/1223183462.db2.gz HGGBOKSPHZWMRO-DLBZAZTESA-N 2 0 357.454 0.987 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001161158925 1223187907 /nfs/dbraw/zinc/18/79/07/1223187907.db2.gz QENKBMPGHBYLBN-MRXNPFEDSA-N 2 0 358.442 0.845 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001161153327 1223187968 /nfs/dbraw/zinc/18/79/68/1223187968.db2.gz HOPQISMVXCNBEJ-QGZVFWFLSA-N 2 0 366.462 0.357 20 0 FCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197026 1223188982 /nfs/dbraw/zinc/18/89/82/1223188982.db2.gz WIQRBBSBJMZALR-MJGOQNOKSA-N 2 0 366.550 0.925 20 0 FCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197027 1223189263 /nfs/dbraw/zinc/18/92/63/1223189263.db2.gz WIQRBBSBJMZALR-PKOBYXMFSA-N 2 0 366.550 0.925 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161275704 1223193575 /nfs/dbraw/zinc/19/35/75/1223193575.db2.gz CATVYJBUUKWACF-ROUUACIJSA-N 2 0 361.490 0.796 20 0 FCADRP COc1cnc(O[C@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)nc1 ZINC001161299535 1223194605 /nfs/dbraw/zinc/19/46/05/1223194605.db2.gz WRDWFRVGAPXVEY-ZFWWWQNUSA-N 2 0 361.446 0.339 20 0 FCADRP COc1cc(N(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C2CC[NH2+]CC2)ccn1 ZINC001161387026 1223198007 /nfs/dbraw/zinc/19/80/07/1223198007.db2.gz YDRHPNDDHJICIX-RRQGHBQHSA-N 2 0 360.458 0.942 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]1CN(Cc2ccccc2)CC1=O)[C@@H]1CCC[NH2+]C1 ZINC001161444065 1223199274 /nfs/dbraw/zinc/19/92/74/1223199274.db2.gz BDZHKSNXEXGQIN-MOPGFXCFSA-N 2 0 372.513 0.830 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccnc1N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161448987 1223199568 /nfs/dbraw/zinc/19/95/68/1223199568.db2.gz IZOUSKUAACVCKU-MRXNPFEDSA-N 3 0 360.506 0.247 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]([NH3+])c1ccc(OC)nc1)CC2 ZINC001161480560 1223201047 /nfs/dbraw/zinc/20/10/47/1223201047.db2.gz UVLVWJFILCYVHV-PMUMKWKESA-N 2 0 362.430 0.234 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161488150 1223201841 /nfs/dbraw/zinc/20/18/41/1223201841.db2.gz KHPYTRPRRBZTPX-YZVOILCLSA-N 2 0 368.522 0.707 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CCC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493065 1223202023 /nfs/dbraw/zinc/20/20/23/1223202023.db2.gz BHEMYOSZOZZAKM-ILRDRHFLSA-N 2 0 371.485 0.817 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+]([C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001162275601 1223212866 /nfs/dbraw/zinc/21/28/66/1223212866.db2.gz ZMUGRQULHJRCNV-OWCLPIDISA-N 2 0 368.522 0.435 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001162537386 1223218148 /nfs/dbraw/zinc/21/81/48/1223218148.db2.gz SRTDUGIHCLXPDM-CQSZACIVSA-N 2 0 370.413 0.816 20 0 FCADRP c1cc(NCc2nnn3c2C[NH2+]CCC3)cn2nnc([C@@H]3CCC[NH2+]3)c12 ZINC001162971797 1223222538 /nfs/dbraw/zinc/22/25/38/1223222538.db2.gz NYLOQZCNAYDQLE-ZDUSSCGKSA-N 2 0 353.434 0.851 20 0 FCADRP C[NH+]1CCC(COc2cnc(NCc3nnn4c3C[NH2+]CCC4)nc2)CC1 ZINC001162974227 1223222652 /nfs/dbraw/zinc/22/26/52/1223222652.db2.gz WDNWWGXTSOYZPK-UHFFFAOYSA-N 2 0 372.477 0.894 20 0 FCADRP CCOC(=O)c1nc2ccn(C)c2c(NC(=[NH2+])NCC[NH+](CC)CC)n1 ZINC001163128392 1223227386 /nfs/dbraw/zinc/22/73/86/1223227386.db2.gz JOVFQVLMHMNJDB-UHFFFAOYSA-N 2 0 361.450 0.845 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163167740 1223227853 /nfs/dbraw/zinc/22/78/53/1223227853.db2.gz RAINCTUHPTVPEC-INMHGKMJSA-N 2 0 361.490 0.800 20 0 FCADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165109326 1223242235 /nfs/dbraw/zinc/24/22/35/1223242235.db2.gz TZJHMEJFCSJBQL-QGZVFWFLSA-N 2 0 360.506 0.966 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001165727719 1223255427 /nfs/dbraw/zinc/25/54/27/1223255427.db2.gz HISIZBUEKSOCIP-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP COC(=O)C1(Nc2ncc(OCC3CC[NH+](C)CC3)cn2)CC[NH2+]CC1 ZINC001166931064 1223289686 /nfs/dbraw/zinc/28/96/86/1223289686.db2.gz GPMRPROXGKWVIS-UHFFFAOYSA-N 2 0 363.462 0.904 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001206986376 1223401995 /nfs/dbraw/zinc/40/19/95/1223401995.db2.gz DCBYLULBDGQTKU-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207602348 1223460724 /nfs/dbraw/zinc/46/07/24/1223460724.db2.gz QJGMNGBSDIUAQH-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001207946400 1223499184 /nfs/dbraw/zinc/49/91/84/1223499184.db2.gz BHEBHWPTGRTOEA-RHSMWYFYSA-N 2 0 359.430 0.326 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208110883 1223516851 /nfs/dbraw/zinc/51/68/51/1223516851.db2.gz WRSDKNNNXOMFQF-FQEVSTJZSA-N 2 0 366.550 0.879 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CC3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001208107877 1223517016 /nfs/dbraw/zinc/51/70/16/1223517016.db2.gz WTRGCEWVQPOKBG-QZTJIDSGSA-N 3 0 366.550 0.829 20 0 FCADRP C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163428 1223520614 /nfs/dbraw/zinc/52/06/14/1223520614.db2.gz FTNNDPQHBAUEKD-MGPQQGTHSA-N 2 0 367.494 0.271 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495874 1223550811 /nfs/dbraw/zinc/55/08/11/1223550811.db2.gz BBFSYERDIXEGMK-HLLBOEOZSA-N 2 0 367.465 0.954 20 0 FCADRP C[N@@H+]1CCC[C@@H](CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615332 1223563838 /nfs/dbraw/zinc/56/38/38/1223563838.db2.gz VWPZEZSYOLOGMH-MKXGPGLRSA-N 2 0 365.518 0.914 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001208627760 1223564758 /nfs/dbraw/zinc/56/47/58/1223564758.db2.gz AALHSEYLNFCGCU-QGPMSJSTSA-N 2 0 364.490 0.853 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208676316 1223570046 /nfs/dbraw/zinc/57/00/46/1223570046.db2.gz MMADSQHBFOXPCE-HUUCEWRRSA-N 2 0 366.506 0.550 20 0 FCADRP CC(=O)N1CCC[C@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)C1 ZINC001208957078 1223588319 /nfs/dbraw/zinc/58/83/19/1223588319.db2.gz JTWZBCRXIGNPIC-YRXWBPOGSA-N 2 0 360.506 0.931 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298304 1223681588 /nfs/dbraw/zinc/68/15/88/1223681588.db2.gz ODRXXDFOODEYKS-ZTFGCOKTSA-N 2 0 367.465 0.874 20 0 FCADRP C[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433611 1223691055 /nfs/dbraw/zinc/69/10/55/1223691055.db2.gz URJBLCGMILHEGA-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001210724529 1223704824 /nfs/dbraw/zinc/70/48/24/1223704824.db2.gz YQKAQJRXUKJETH-BFYDXBDKSA-N 2 0 361.490 0.706 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211039665 1223720663 /nfs/dbraw/zinc/72/06/63/1223720663.db2.gz SXVMYJBVNQDYLV-JFIYKMOQSA-N 2 0 369.506 0.075 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378433 1223792354 /nfs/dbraw/zinc/79/23/54/1223792354.db2.gz QIXDTHPQYDRMBW-KBAYOESNSA-N 2 0 365.474 0.193 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377990 1223792445 /nfs/dbraw/zinc/79/24/45/1223792445.db2.gz AJZBBXYWFWDPQT-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213456009 1223801251 /nfs/dbraw/zinc/80/12/51/1223801251.db2.gz ZEZXBTLNGPPPLA-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213745218 1223843296 /nfs/dbraw/zinc/84/32/96/1223843296.db2.gz YRWRJMAGAVXODO-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213763206 1223845529 /nfs/dbraw/zinc/84/55/29/1223845529.db2.gz HRGYMZAXASHZNQ-NVXWUHKLSA-N 2 0 366.510 0.654 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914437 1223871405 /nfs/dbraw/zinc/87/14/05/1223871405.db2.gz FZMHLXAXYOZNKH-KZNAEPCWSA-N 2 0 365.474 0.185 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214664052 1223930244 /nfs/dbraw/zinc/93/02/44/1223930244.db2.gz JKEJCJWONWOVCU-KLHDSHLOSA-N 2 0 367.538 0.861 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856003 1223948424 /nfs/dbraw/zinc/94/84/24/1223948424.db2.gz UHVFOIFXDXZWHN-QLFBSQMISA-N 2 0 367.494 0.141 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)on1 ZINC001214855247 1223948685 /nfs/dbraw/zinc/94/86/85/1223948685.db2.gz AVDNKHULAIDOTR-ZLENFMNRSA-N 2 0 363.462 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214856229 1223948711 /nfs/dbraw/zinc/94/87/11/1223948711.db2.gz YLKHJPFKXBLBLU-MRRJBJDNSA-N 2 0 360.462 0.192 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001215015655 1223964329 /nfs/dbraw/zinc/96/43/29/1223964329.db2.gz ZIEZJZKVUSESLX-RHSMWYFYSA-N 2 0 357.462 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215121867 1223975172 /nfs/dbraw/zinc/97/51/72/1223975172.db2.gz HOJWWXZBIRZWTA-CZUORRHYSA-N 2 0 356.430 0.406 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001215200148 1223981606 /nfs/dbraw/zinc/98/16/06/1223981606.db2.gz QZWMVRKPIGMDNY-BRWVUGGUSA-N 2 0 364.490 0.985 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215200109 1223981628 /nfs/dbraw/zinc/98/16/28/1223981628.db2.gz PIXYNPPCYUHIFV-BRWVUGGUSA-N 2 0 366.506 0.823 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215199733 1223981686 /nfs/dbraw/zinc/98/16/86/1223981686.db2.gz BVLRPSVAEYFYHD-HZPDHXFCSA-N 2 0 361.490 0.802 20 0 FCADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001215226835 1223983739 /nfs/dbraw/zinc/98/37/39/1223983739.db2.gz UJJPIDFWHATUAB-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001215234453 1223984787 /nfs/dbraw/zinc/98/47/87/1223984787.db2.gz WKWIFFCHLWCWGJ-RBSFLKMASA-N 2 0 364.490 0.493 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215299132 1223991353 /nfs/dbraw/zinc/99/13/53/1223991353.db2.gz YPHJNJNILQXMFK-HZSPNIEDSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215539866 1224005166 /nfs/dbraw/zinc/00/51/66/1224005166.db2.gz AXHIRINLMACRPZ-MUKKUYKPSA-N 2 0 368.497 0.914 20 0 FCADRP CCCN(CCC)C(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402032 1224048475 /nfs/dbraw/zinc/04/84/75/1224048475.db2.gz SRLLPLXSDROIGU-IAGOWNOFSA-N 2 0 370.538 0.650 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216410110 1224048943 /nfs/dbraw/zinc/04/89/43/1224048943.db2.gz REHBZUXKQVLEAU-HLLBOEOZSA-N 2 0 362.518 0.966 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216510868 1224053889 /nfs/dbraw/zinc/05/38/89/1224053889.db2.gz BNKPQYSXWOIERE-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n(C)n1 ZINC001216757866 1224069505 /nfs/dbraw/zinc/06/95/05/1224069505.db2.gz ORPCYQKLPNFGGZ-UKRRQHHQSA-N 2 0 362.478 0.199 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216845138 1224078589 /nfs/dbraw/zinc/07/85/89/1224078589.db2.gz YVINXGDHZVDHSZ-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216854274 1224078904 /nfs/dbraw/zinc/07/89/04/1224078904.db2.gz XCZMTNJMVVBPNT-IUODEOHRSA-N 2 0 364.494 0.742 20 0 FCADRP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217009884 1224084268 /nfs/dbraw/zinc/08/42/68/1224084268.db2.gz HSIIFMTZAXZQIM-SJLPKXTDSA-N 2 0 369.469 0.944 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(-c3nnn4c3C[NH2+]CC4)n2)CC1 ZINC001217217187 1224094810 /nfs/dbraw/zinc/09/48/10/1224094810.db2.gz MJAWLYXYHDMNJK-UHFFFAOYSA-N 2 0 366.429 0.850 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988085438 1249331442 /nfs/dbraw/zinc/33/14/42/1249331442.db2.gz JKEWHXBTALBXBB-INMHGKMJSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000993871053 1250036745 /nfs/dbraw/zinc/03/67/45/1250036745.db2.gz DJWJWJMTESDQHM-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000849071671 1245392027 /nfs/dbraw/zinc/39/20/27/1245392027.db2.gz SQRHTWNLSHURDT-INIZCTEOSA-N 2 0 360.510 0.006 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891480248 1245452250 /nfs/dbraw/zinc/45/22/50/1245452250.db2.gz ADNJKCABIQHWDW-YYIAUSFCSA-N 2 0 365.522 0.759 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563225 1245455344 /nfs/dbraw/zinc/45/53/44/1245455344.db2.gz BFKPWNGOTRLXEW-DLBZAZTESA-N 2 0 367.538 0.470 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516482 1245504894 /nfs/dbraw/zinc/50/48/94/1245504894.db2.gz KLOVFDMVFOFTBU-KBAYOESNSA-N 2 0 374.485 0.297 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1=O ZINC000922867957 1245691505 /nfs/dbraw/zinc/69/15/05/1245691505.db2.gz NKTCFARGLAYASE-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923264672 1245703506 /nfs/dbraw/zinc/70/35/06/1245703506.db2.gz UWYBSUOFYAXPGO-OEXSFMSHSA-N 2 0 366.481 0.715 20 0 FCADRP Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923321271 1245707104 /nfs/dbraw/zinc/70/71/04/1245707104.db2.gz DZZSZVFHMOBHRG-AWEZNQCLSA-N 2 0 357.462 0.172 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923321511 1245709169 /nfs/dbraw/zinc/70/91/69/1245709169.db2.gz GPZAMPSBWJEWKM-MSOLQXFVSA-N 2 0 366.506 0.792 20 0 FCADRP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000936084030 1245750838 /nfs/dbraw/zinc/75/08/38/1245750838.db2.gz OTWHVDPNYMZOHM-RHSMWYFYSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940310755 1246277784 /nfs/dbraw/zinc/27/77/84/1246277784.db2.gz HQGGPXGJJJBJGB-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC000941273542 1246535720 /nfs/dbraw/zinc/53/57/20/1246535720.db2.gz JHQFWSHRJZXMBN-FRFSOERESA-N 2 0 371.441 0.384 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941786469 1246826346 /nfs/dbraw/zinc/82/63/46/1246826346.db2.gz WVMGOGVYFYZUJF-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942132789 1246994054 /nfs/dbraw/zinc/99/40/54/1246994054.db2.gz DXJFNOFBUNQSDB-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548270 1247122576 /nfs/dbraw/zinc/12/25/76/1247122576.db2.gz RBCJNCQNXWBDQF-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000943466132 1247331207 /nfs/dbraw/zinc/33/12/07/1247331207.db2.gz QYNCPYSBAVOURE-BZUAXINKSA-N 2 0 364.490 0.051 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4nncn4C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595155 1247907916 /nfs/dbraw/zinc/90/79/16/1247907916.db2.gz LFCCAZZUTSCVEX-WCXIOVBPSA-N 2 0 360.506 0.826 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000976601919 1248280786 /nfs/dbraw/zinc/28/07/86/1248280786.db2.gz YXODXBUMTPFBMY-MBEHMYBOSA-N 2 0 362.518 0.630 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000976606015 1248287638 /nfs/dbraw/zinc/28/76/38/1248287638.db2.gz AKDPSSGCCZNCMZ-DWMDIXPDSA-N 2 0 362.518 0.774 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328235340 1265510321 /nfs/dbraw/zinc/51/03/21/1265510321.db2.gz XOUAONGLGVNULI-QGZVFWFLSA-N 2 0 364.490 0.099 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997888131 1251738306 /nfs/dbraw/zinc/73/83/06/1251738306.db2.gz STHORGYEAVGILO-YRXWBPOGSA-N 2 0 374.529 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001002862561 1252712912 /nfs/dbraw/zinc/71/29/12/1252712912.db2.gz LNJFFRPKNJLGGX-FGTMMUONSA-N 2 0 363.506 0.555 20 0 FCADRP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001002950180 1252748759 /nfs/dbraw/zinc/74/87/59/1252748759.db2.gz VZLUNLRQBKHQMX-TVFCKZIOSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cccc5nccn54)[C@@H]3C2)C1 ZINC001022135837 1253773302 /nfs/dbraw/zinc/77/33/02/1253773302.db2.gz FPGRPGITGHVERC-YQQAZPJKSA-N 2 0 367.453 0.959 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033840037 1253967785 /nfs/dbraw/zinc/96/77/85/1253967785.db2.gz ZYYNRFWMEKUNFC-OWCLPIDISA-N 2 0 364.490 0.398 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)CC)CC[N@@H+]1C ZINC001061898596 1254229463 /nfs/dbraw/zinc/22/94/63/1254229463.db2.gz LCUMSNQBEPVJON-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC001329784443 1265844839 /nfs/dbraw/zinc/84/48/39/1265844839.db2.gz CVHIBPMSHREETG-MRXNPFEDSA-N 2 0 362.522 0.862 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CCO2)CC[N@@H+]1C ZINC001065257708 1254501693 /nfs/dbraw/zinc/50/16/93/1254501693.db2.gz ZBGHUWOJPPBIAW-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CCO2)CC[N@@H+]1C ZINC001065537326 1254545841 /nfs/dbraw/zinc/54/58/41/1254545841.db2.gz NITKOVKZTYAIEX-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001520257756 1265891102 /nfs/dbraw/zinc/89/11/02/1265891102.db2.gz AAXCRMIPABIUJE-HOCLYGCPSA-N 2 0 363.510 0.906 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]2C1 ZINC001520303569 1265903203 /nfs/dbraw/zinc/90/32/03/1265903203.db2.gz LUNJMJYFVRNJIZ-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001077618981 1254785542 /nfs/dbraw/zinc/78/55/42/1254785542.db2.gz XWCKYUMONZMWPT-GUDVDZBRSA-N 2 0 361.486 0.093 20 0 FCADRP COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175799 1255289286 /nfs/dbraw/zinc/28/92/86/1255289286.db2.gz MSUMOPRGSOHFOF-BHIYHBOVSA-N 2 0 361.486 0.741 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224308 1255335046 /nfs/dbraw/zinc/33/50/46/1255335046.db2.gz CRBHXVQTQIGARV-RTBURBONSA-N 2 0 371.485 0.499 20 0 FCADRP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078403798 1255407603 /nfs/dbraw/zinc/40/76/03/1255407603.db2.gz IWIKDMGYMKUTCS-BPQIPLTHSA-N 2 0 361.490 0.832 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079250144 1255487951 /nfs/dbraw/zinc/48/79/51/1255487951.db2.gz OPUXRTOBMYULJA-ZWKOTPCHSA-N 2 0 370.453 0.880 20 0 FCADRP Cn1cncc1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079272326 1255497339 /nfs/dbraw/zinc/49/73/39/1255497339.db2.gz ISRYGOIHTWLSHK-DLBZAZTESA-N 2 0 362.474 0.284 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079318403 1255507003 /nfs/dbraw/zinc/50/70/03/1255507003.db2.gz BIKLWFIIKSXIOX-JLJPHGGASA-N 2 0 362.449 0.537 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052848 1255727378 /nfs/dbraw/zinc/72/73/78/1255727378.db2.gz QJDSCQLTCDGZCD-CZUORRHYSA-N 2 0 356.430 0.410 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789295 1256041015 /nfs/dbraw/zinc/04/10/15/1256041015.db2.gz YOMOHQKVTHPDKI-OAGGEKHMSA-N 2 0 362.518 0.918 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670411 1256328321 /nfs/dbraw/zinc/32/83/21/1256328321.db2.gz RHQUNLZKITZGHJ-RCCFBDPRSA-N 2 0 361.490 0.120 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201208 1256588280 /nfs/dbraw/zinc/58/82/80/1256588280.db2.gz PBKMAZOZURXDOI-QZTJIDSGSA-N 2 0 363.506 0.510 20 0 FCADRP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326829 1256668899 /nfs/dbraw/zinc/66/88/99/1256668899.db2.gz RONOUARLCIYRQL-BZUAXINKSA-N 2 0 365.478 0.468 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)o1 ZINC001082517793 1256801520 /nfs/dbraw/zinc/80/15/20/1256801520.db2.gz FWLNUSIAGGIQRK-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082517999 1256802477 /nfs/dbraw/zinc/80/24/77/1256802477.db2.gz UFCDQFAABXJWAM-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082544866 1256835184 /nfs/dbraw/zinc/83/51/84/1256835184.db2.gz VWSGGRBUEZDGLL-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082592693 1256904971 /nfs/dbraw/zinc/90/49/71/1256904971.db2.gz SFRCLWYFRRLYCF-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082592757 1256905022 /nfs/dbraw/zinc/90/50/22/1256905022.db2.gz VRVUCJDUIXHARX-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082592495 1256905480 /nfs/dbraw/zinc/90/54/80/1256905480.db2.gz ILXJZPLBMLJJDN-GDBMZVCRSA-N 2 0 364.494 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082653662 1256959736 /nfs/dbraw/zinc/95/97/36/1256959736.db2.gz XBZLOLUYODYURJ-PWRQTXRISA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082709679 1257001631 /nfs/dbraw/zinc/00/16/31/1257001631.db2.gz KPCVOJGSFXFDGP-UKRRQHHQSA-N 2 0 363.462 0.417 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082709803 1257002747 /nfs/dbraw/zinc/00/27/47/1257002747.db2.gz QETQCOSPEWYUEL-MRVWCRGKSA-N 2 0 362.430 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082743096 1257022407 /nfs/dbraw/zinc/02/24/07/1257022407.db2.gz HOGSGEUYBFKUSU-IIDMSEBBSA-N 2 0 366.485 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082851826 1257104292 /nfs/dbraw/zinc/10/42/92/1257104292.db2.gz FCHLDOHJGOAWPM-CRAIPNDOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082864752 1257114959 /nfs/dbraw/zinc/11/49/59/1257114959.db2.gz IHHDAHGVNYFZDO-GDBMZVCRSA-N 2 0 359.474 0.820 20 0 FCADRP CC(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149099 1257404925 /nfs/dbraw/zinc/40/49/25/1257404925.db2.gz YSYRCOQMPWTPSS-KZIZELGASA-N 2 0 363.502 0.807 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2O)n1 ZINC001083470186 1257461462 /nfs/dbraw/zinc/46/14/62/1257461462.db2.gz DHEZKUYXJAGJTA-MSOLQXFVSA-N 2 0 363.506 0.800 20 0 FCADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1)OC ZINC001083783399 1257530869 /nfs/dbraw/zinc/53/08/69/1257530869.db2.gz PYIBAKCKMIHYQJ-OTWHNJEPSA-N 2 0 363.502 0.991 20 0 FCADRP C[N@H+](CCOc1cccc(CNC(=O)[C@H]([NH3+])CO)c1)C1CCOCC1 ZINC001521478010 1266126478 /nfs/dbraw/zinc/12/64/78/1266126478.db2.gz TYDAHXJMOJVBND-QGZVFWFLSA-N 2 0 351.447 0.112 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)c1ccccc1 ZINC001083959575 1257750035 /nfs/dbraw/zinc/75/00/35/1257750035.db2.gz ZFLXNFYPQPDWSK-SQNIBIBYSA-N 2 0 359.470 0.631 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331103241 1266148150 /nfs/dbraw/zinc/14/81/50/1266148150.db2.gz FVCKFSZVAUDKFV-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001521617769 1266150991 /nfs/dbraw/zinc/15/09/91/1266150991.db2.gz NPLJUYTVKGSVQL-AEFFLSMTSA-N 2 0 367.538 0.565 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CCCC2)CC1 ZINC001331184532 1266165198 /nfs/dbraw/zinc/16/51/98/1266165198.db2.gz FYCNDJFNVHUVGD-GASCZTMLSA-N 2 0 366.506 0.380 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001084631055 1258211507 /nfs/dbraw/zinc/21/15/07/1258211507.db2.gz AEWSDKPKMTTYBN-FGTMMUONSA-N 2 0 361.490 0.119 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660562 1258222683 /nfs/dbraw/zinc/22/26/83/1258222683.db2.gz LLNBIVYQIJWCQP-KBAYOESNSA-N 2 0 358.486 0.902 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)CCC1 ZINC001084957292 1258470007 /nfs/dbraw/zinc/47/00/07/1258470007.db2.gz KMRJAENZUVHCSU-CVEARBPZSA-N 2 0 363.506 0.419 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)CC1 ZINC001085049774 1258545972 /nfs/dbraw/zinc/54/59/72/1258545972.db2.gz YHUNIOIVKAIPKI-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001085074923 1258569074 /nfs/dbraw/zinc/56/90/74/1258569074.db2.gz ISORTCMGAUBAPR-NUJGCVRESA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074741 1258570107 /nfs/dbraw/zinc/57/01/07/1258570107.db2.gz AJPPNSMJIFKIHH-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088173058 1258692449 /nfs/dbraw/zinc/69/24/49/1258692449.db2.gz QDLMRIXZOKWTCC-RVKKMQEKSA-N 2 0 371.485 0.772 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088173156 1258692876 /nfs/dbraw/zinc/69/28/76/1258692876.db2.gz VAELESOPPCVBHU-CVEARBPZSA-N 2 0 371.485 0.774 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731521 1258804229 /nfs/dbraw/zinc/80/42/29/1258804229.db2.gz QVOIWXZQKAGKBF-HLIPFELVSA-N 2 0 364.534 0.833 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671317 1258812937 /nfs/dbraw/zinc/81/29/37/1258812937.db2.gz HQZCCCMGPKBMGV-IXDOHACOSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722117 1258817080 /nfs/dbraw/zinc/81/70/80/1258817080.db2.gz VOHPDDAWTRJXAB-ZACQAIPSSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001092816748 1258853993 /nfs/dbraw/zinc/85/39/93/1258853993.db2.gz GIDGWECSJLQAAA-HUUCEWRRSA-N 2 0 370.457 0.653 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001100343622 1258908299 /nfs/dbraw/zinc/90/82/99/1258908299.db2.gz LDFANCZYMLVGSC-ARAOSMHQSA-N 2 0 362.474 0.720 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105652556 1258921817 /nfs/dbraw/zinc/92/18/17/1258921817.db2.gz NGOXUKYRKZNINM-WOCWXWTJSA-N 2 0 367.534 0.677 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCc1ccco1 ZINC001106623388 1258929294 /nfs/dbraw/zinc/92/92/94/1258929294.db2.gz QWNONOZXJJRBDH-BZUAXINKSA-N 2 0 364.490 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)[NH+](CC)CC ZINC001106660240 1258934873 /nfs/dbraw/zinc/93/48/73/1258934873.db2.gz HIUGGFRTXLTHLC-ZACQAIPSSA-N 2 0 367.538 0.816 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1)[NH+](C)C ZINC001106673558 1258939190 /nfs/dbraw/zinc/93/91/90/1258939190.db2.gz HGTLKYYXGMNBBV-KFWWJZLASA-N 2 0 362.478 0.439 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001106751638 1258953556 /nfs/dbraw/zinc/95/35/56/1258953556.db2.gz KLFZDTXQAJUOLO-IIAWOOMASA-N 2 0 364.494 0.006 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779552 1258961996 /nfs/dbraw/zinc/96/19/96/1258961996.db2.gz RLPNJLZLTNOZEP-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106798570 1258965653 /nfs/dbraw/zinc/96/56/53/1258965653.db2.gz LKPIJURLDJWYFC-IAGOWNOFSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001106880187 1258986038 /nfs/dbraw/zinc/98/60/38/1258986038.db2.gz CVTNMQRZIYSTMT-HZPDHXFCSA-N 2 0 363.506 0.592 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001106878115 1258986684 /nfs/dbraw/zinc/98/66/84/1258986684.db2.gz FZWXUJSLFOOPNA-HUUCEWRRSA-N 2 0 365.478 0.248 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106885273 1258988710 /nfs/dbraw/zinc/98/87/10/1258988710.db2.gz ZSSFWIWPZCIBHI-KZNAEPCWSA-N 2 0 365.518 0.962 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898075 1258991765 /nfs/dbraw/zinc/99/17/65/1258991765.db2.gz RFNUYXIXGWFZBW-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001106983782 1259010631 /nfs/dbraw/zinc/01/06/31/1259010631.db2.gz JIMUYXQXBNGALI-BRWVUGGUSA-N 2 0 366.506 0.062 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986254 1259011498 /nfs/dbraw/zinc/01/14/98/1259011498.db2.gz HQKUIFIMMZXFGE-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984519 1259011557 /nfs/dbraw/zinc/01/15/57/1259011557.db2.gz RNSPTKYXQMQEKJ-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001331522266 1266233408 /nfs/dbraw/zinc/23/34/08/1266233408.db2.gz DGXYSAZNHUMUEU-OAHLLOKOSA-N 2 0 372.473 0.566 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001107449683 1259092601 /nfs/dbraw/zinc/09/26/01/1259092601.db2.gz UBHCEQQIWOVWNE-DNVCBOLYSA-N 2 0 366.506 0.191 20 0 FCADRP CC(C)OCCCN(C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001117841434 1259169484 /nfs/dbraw/zinc/16/94/84/1259169484.db2.gz MFPLVONVQATTBI-UHFFFAOYSA-N 2 0 370.538 0.744 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCCC2)CC[N@@H+]1C ZINC001127691036 1259185247 /nfs/dbraw/zinc/18/52/47/1259185247.db2.gz YSBXHIXQXCJFOD-UKRRQHHQSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)CC[N@@H+]1C ZINC001128106672 1259193108 /nfs/dbraw/zinc/19/31/08/1259193108.db2.gz BTNSANZBGRPKJG-DJIMGWMZSA-N 2 0 361.490 0.199 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603605 1266247753 /nfs/dbraw/zinc/24/77/53/1266247753.db2.gz HBCZECOCUNXMNE-LEUOFYLZSA-N 2 0 358.486 0.867 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129205499 1259343785 /nfs/dbraw/zinc/34/37/85/1259343785.db2.gz VXRJIRWACUHXDR-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001200537648 1259415944 /nfs/dbraw/zinc/41/59/44/1259415944.db2.gz SISQRJMDXKWDGZ-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001200537577 1259416983 /nfs/dbraw/zinc/41/69/83/1259416983.db2.gz QYZKQMKVCMLLDR-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001200651607 1259418755 /nfs/dbraw/zinc/41/87/55/1259418755.db2.gz CTLRJKFRMFECDE-FGTMMUONSA-N 2 0 363.506 0.555 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCCCOC)CC2)CC[N@@H+]1C ZINC001200644449 1259419073 /nfs/dbraw/zinc/41/90/73/1259419073.db2.gz MATPLCFWGDMXOO-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CC1(C)OC[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)N1C(=O)C[NH3+] ZINC001212285453 1259453724 /nfs/dbraw/zinc/45/37/24/1259453724.db2.gz XQIQKEZSZFRZFO-ZDUSSCGKSA-N 2 0 358.402 0.372 20 0 FCADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212305357 1259458007 /nfs/dbraw/zinc/45/80/07/1259458007.db2.gz LFRQYTZGNBMAQZ-JGKZEZGSSA-N 2 0 372.429 0.695 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215535988 1259534375 /nfs/dbraw/zinc/53/43/75/1259534375.db2.gz BQLGAYGWPLBMLP-HLLBOEOZSA-N 2 0 362.474 0.817 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)no1 ZINC001215536158 1259534415 /nfs/dbraw/zinc/53/44/15/1259534415.db2.gz KGQLFIUZQCSYQH-VNHYZAJKSA-N 2 0 363.462 0.842 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216229597 1259537493 /nfs/dbraw/zinc/53/74/93/1259537493.db2.gz LONQEADMTKHGDN-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206129 1259569412 /nfs/dbraw/zinc/56/94/12/1259569412.db2.gz RSBWRKHQISQVDF-HUUCEWRRSA-N 2 0 371.476 0.951 20 0 FCADRP C[NH+]1CCN(c2cccc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2)CC1 ZINC001235874871 1259583592 /nfs/dbraw/zinc/58/35/92/1259583592.db2.gz WGKIMZZFAHFXNT-UHFFFAOYSA-N 3 0 360.550 0.023 20 0 FCADRP c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235872923 1259584586 /nfs/dbraw/zinc/58/45/86/1259584586.db2.gz BWJGTNDVAYZTGK-UHFFFAOYSA-N 3 0 356.518 0.329 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-c2ncccn2)cc1 ZINC001236310939 1259589324 /nfs/dbraw/zinc/58/93/24/1259589324.db2.gz NMPPWDPWULSDGG-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001237060819 1259595481 /nfs/dbraw/zinc/59/54/81/1259595481.db2.gz JWXLZVIMKIWRCU-TZIWHRDSSA-N 2 0 372.513 0.819 20 0 FCADRP CCn1cncc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001237590148 1259604685 /nfs/dbraw/zinc/60/46/85/1259604685.db2.gz XDRHYAQQWOWHJE-UHFFFAOYSA-N 2 0 363.506 0.906 20 0 FCADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239214464 1259622931 /nfs/dbraw/zinc/62/29/31/1259622931.db2.gz HBZYIZFGMHMGHN-KGLIPLIRSA-N 2 0 370.494 0.517 20 0 FCADRP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)nnc1OCC[NH+]1CCCC1 ZINC001241895858 1259632064 /nfs/dbraw/zinc/63/20/64/1259632064.db2.gz MZDXPIVIIAZILC-UHFFFAOYSA-N 2 0 355.446 0.818 20 0 FCADRP O=C(c1ccccc1-c1cnc(N2CC[NH2+]CC2)nc1)N1CC[NH2+]CC1 ZINC001241899717 1259632342 /nfs/dbraw/zinc/63/23/42/1259632342.db2.gz BNTGFUWCZNVGGQ-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3ccc(OC4C[NH2+]C4)cn3)cc2)CC1 ZINC001242101369 1259634317 /nfs/dbraw/zinc/63/43/17/1259634317.db2.gz UBFYWCRLIORJTL-UHFFFAOYSA-N 2 0 367.453 0.991 20 0 FCADRP O[C@H](C[NH2+]CC1(c2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245992626 1259642985 /nfs/dbraw/zinc/64/29/85/1259642985.db2.gz ZEPVBCDNFBHDFR-SFHVURJKSA-N 3 0 365.493 0.902 20 0 FCADRP OCCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001245986703 1259643893 /nfs/dbraw/zinc/64/38/93/1259643893.db2.gz PYHFQHSXJBIDPK-MSOLQXFVSA-N 2 0 363.502 0.425 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]1C2 ZINC001246044991 1259645155 /nfs/dbraw/zinc/64/51/55/1259645155.db2.gz IRTMNHCWWULXQR-BYDUFCQCSA-N 2 0 360.454 0.757 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001246032937 1259645450 /nfs/dbraw/zinc/64/54/50/1259645450.db2.gz ZVSXMMMWIPMNMN-OTWHNJEPSA-N 2 0 368.472 0.613 20 0 FCADRP COC(=O)[C@H](N)[C@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052914 1259647081 /nfs/dbraw/zinc/64/70/81/1259647081.db2.gz MKMSRHNVUWFSBC-KKBVYLPWSA-N 2 0 371.428 0.408 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N[C@H]1C[NH2+]CC12CC2 ZINC001246129605 1259648801 /nfs/dbraw/zinc/64/88/01/1259648801.db2.gz GFHBCTGSQYDEKF-KBPBESRZSA-N 2 0 374.489 0.334 20 0 FCADRP COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246185055 1259650097 /nfs/dbraw/zinc/65/00/97/1259650097.db2.gz QUFPLNKKYDSYPU-QGZVFWFLSA-N 2 0 358.486 0.983 20 0 FCADRP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246155584 1259650788 /nfs/dbraw/zinc/65/07/88/1259650788.db2.gz DXIFZOANMFLHOE-KRWDZBQOSA-N 2 0 358.486 0.670 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)CN1 ZINC001246191945 1259650863 /nfs/dbraw/zinc/65/08/63/1259650863.db2.gz BMTRBRLKMSYGFK-MOPGFXCFSA-N 2 0 360.502 0.817 20 0 FCADRP COc1ccc(CN2C[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C3(CC3)C2=O)cc1 ZINC001246372909 1259651792 /nfs/dbraw/zinc/65/17/92/1259651792.db2.gz OOROIHSNOJKMTM-SJLPKXTDSA-N 2 0 370.497 0.870 20 0 FCADRP NC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC001246321805 1259652035 /nfs/dbraw/zinc/65/20/35/1259652035.db2.gz YLWVUSHKPCADRM-QGZVFWFLSA-N 2 0 357.502 0.190 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1 ZINC001246356433 1259652549 /nfs/dbraw/zinc/65/25/49/1259652549.db2.gz HJSOLQINRVNBQU-RDJZCZTQSA-N 2 0 366.506 0.347 20 0 FCADRP Cc1cc(=O)oc2cc(NC(=O)C[NH2+][C@H]3CCNC4(C[NH2+]C4)C3)ccc12 ZINC001246395190 1259652865 /nfs/dbraw/zinc/65/28/65/1259652865.db2.gz LBEGDXIOQATSRW-AWEZNQCLSA-N 2 0 356.426 0.724 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246683816 1259659816 /nfs/dbraw/zinc/65/98/16/1259659816.db2.gz UIDREGDSGFFGJP-FPXQBCRKSA-N 2 0 367.490 0.535 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCCO[C@]4(C[NH2+]CCOC4)C3)C[C@H](C1)[NH2+]2 ZINC001246668262 1259660588 /nfs/dbraw/zinc/66/05/88/1259660588.db2.gz MYBSQZKCMRBTKO-NEJPUZRRSA-N 2 0 367.490 0.140 20 0 FCADRP Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246699730 1259661910 /nfs/dbraw/zinc/66/19/10/1259661910.db2.gz DYWUFHZICNDBAK-BVIKNXMNSA-N 2 0 373.501 0.081 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001335434729 1259662730 /nfs/dbraw/zinc/66/27/30/1259662730.db2.gz ZVSFUOWDYITOEV-UHFFFAOYSA-N 2 0 351.495 0.498 20 0 FCADRP O=C([C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2)N1CCOCC1 ZINC001246699531 1259663078 /nfs/dbraw/zinc/66/30/78/1259663078.db2.gz ZAKHHFJWQWIUFD-UJJTZGENSA-N 2 0 363.502 0.857 20 0 FCADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246714079 1259668013 /nfs/dbraw/zinc/66/80/13/1259668013.db2.gz IULZNAVWQKTTDK-FGTMMUONSA-N 2 0 355.486 0.659 20 0 FCADRP CC(C)C[C@H]([NH2+]C[C@H](O)Cn1cccn1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335454180 1259668756 /nfs/dbraw/zinc/66/87/56/1259668756.db2.gz WCGDDJCVJKJDTN-IKGGRYGDSA-N 2 0 351.495 0.411 20 0 FCADRP Cn1cc(C[N@@H+]2CCCC23CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731158 1259670981 /nfs/dbraw/zinc/67/09/81/1259670981.db2.gz BNPGVBJHCKZGQB-SFHVURJKSA-N 2 0 358.534 0.945 20 0 FCADRP O=C(c1cnccn1)N1CCC[C@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737826 1259672950 /nfs/dbraw/zinc/67/29/50/1259672950.db2.gz KATDAMZNBXTZLE-QFBILLFUSA-N 2 0 370.501 0.499 20 0 FCADRP CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246736645 1259672979 /nfs/dbraw/zinc/67/29/79/1259672979.db2.gz ARMXMJDOTAGBEL-ROUUACIJSA-N 2 0 369.513 0.956 20 0 FCADRP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)N1Cc1cccnc1 ZINC001246741359 1259674661 /nfs/dbraw/zinc/67/46/61/1259674661.db2.gz XWSKTPLVSOEWTQ-KZNAEPCWSA-N 2 0 355.486 0.741 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NC1CCC1 ZINC001246745678 1259677637 /nfs/dbraw/zinc/67/76/37/1259677637.db2.gz GSMGIEGDJSBHON-AHCXZYCDSA-N 2 0 362.518 0.334 20 0 FCADRP c1cnc(N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nc1 ZINC001246746511 1259677969 /nfs/dbraw/zinc/67/79/69/1259677969.db2.gz HSGSBIISGOLTJL-BRWVUGGUSA-N 2 0 358.490 0.098 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001335475997 1259678165 /nfs/dbraw/zinc/67/81/65/1259678165.db2.gz HKQBRFBGJIHPBB-IEBWSBKVSA-N 2 0 373.501 0.853 20 0 FCADRP Cc1ccc(N([C@@H]2CO[C@]3(C2)CCC[NH2+]C3)[C@@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246750612 1259679696 /nfs/dbraw/zinc/67/96/96/1259679696.db2.gz FUUIHHFNORILHI-UWVAXJGDSA-N 2 0 372.517 0.597 20 0 FCADRP O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246755295 1259681455 /nfs/dbraw/zinc/68/14/55/1259681455.db2.gz IMIIYPBGCMFQIG-DLBZAZTESA-N 2 0 355.486 0.614 20 0 FCADRP O=C([C@H]1COc2ccccc2O1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246786369 1259688672 /nfs/dbraw/zinc/68/86/72/1259688672.db2.gz OHTCKARTWUALGA-CRAIPNDOSA-N 2 0 372.469 0.065 20 0 FCADRP c1nc(C[NH2+]C2CCOCC2)c2n1CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246773492 1259689568 /nfs/dbraw/zinc/68/95/68/1259689568.db2.gz KYAHAXJGEHNUGL-KRWDZBQOSA-N 2 0 374.533 0.451 20 0 FCADRP O=C1[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246856113 1259692868 /nfs/dbraw/zinc/69/28/68/1259692868.db2.gz YBJOCYVYIQZPER-YESZJQIVSA-N 2 0 354.454 0.197 20 0 FCADRP O=C(CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1)NCCc1ccccc1 ZINC001246874616 1259693021 /nfs/dbraw/zinc/69/30/21/1259693021.db2.gz KHDKGKPKFDLIGJ-IBGZPJMESA-N 2 0 371.529 0.057 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC001246924069 1259695686 /nfs/dbraw/zinc/69/56/86/1259695686.db2.gz GGLNELRMWJXWGL-UHFFFAOYSA-N 3 0 361.534 0.767 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4C[NH2+]C[C@@H](O)C4)n3)c2)CC1 ZINC001247746263 1259704222 /nfs/dbraw/zinc/70/42/22/1259704222.db2.gz ALKQRLNCPKHDKI-SJORKVTESA-N 2 0 357.458 0.922 20 0 FCADRP COc1cc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1OC1COC1 ZINC001247832860 1259705962 /nfs/dbraw/zinc/70/59/62/1259705962.db2.gz ZZMJZURGSMSQSA-CYBMUJFWSA-N 2 0 358.398 0.799 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(C4=NOC5(C[NH2+]C5)C4)n3)cc2)CC1 ZINC001247876693 1259706860 /nfs/dbraw/zinc/70/68/60/1259706860.db2.gz WGKHGHZHNMPZMW-UHFFFAOYSA-N 2 0 354.414 0.955 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(C3=NOC4(C[NH2+]C4)C3)n2)CC1 ZINC001247874509 1259707834 /nfs/dbraw/zinc/70/78/34/1259707834.db2.gz MIFKDZPAJIPTOY-UHFFFAOYSA-N 2 0 354.414 0.955 20 0 FCADRP COCC1(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC[NH2+]CC1 ZINC001335594955 1259733057 /nfs/dbraw/zinc/73/30/57/1259733057.db2.gz DCZKALBGESXEGH-GJZGRUSLSA-N 2 0 356.536 0.882 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001335706515 1259797544 /nfs/dbraw/zinc/79/75/44/1259797544.db2.gz JEGUZNLLNBLCFC-HYVNUMGLSA-N 2 0 354.495 0.648 20 0 FCADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](CC1(O)CCOCC1)CCC2 ZINC001252960988 1259815932 /nfs/dbraw/zinc/81/59/32/1259815932.db2.gz CFHBYAVQPYFQKK-UHFFFAOYSA-N 2 0 364.490 0.832 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001253052050 1259818199 /nfs/dbraw/zinc/81/81/99/1259818199.db2.gz VMRFCTKVLNGDEJ-LJQANCHMSA-N 2 0 365.518 0.794 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC001253038994 1259819294 /nfs/dbraw/zinc/81/92/94/1259819294.db2.gz WIYNCVPFMGNWHY-IBGZPJMESA-N 2 0 365.518 0.842 20 0 FCADRP CC[NH+](CC)C[C@H](O)CNc1cc(N2CCN(CCO)CC2)nc(C)[nH+]1 ZINC001253176635 1259826110 /nfs/dbraw/zinc/82/61/10/1259826110.db2.gz LKEFYIRKQDNCRC-MRXNPFEDSA-N 2 0 366.510 0.014 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001253185720 1259827047 /nfs/dbraw/zinc/82/70/47/1259827047.db2.gz SWMHJWDIMMQXCI-NCXUSEDFSA-N 2 0 367.534 0.942 20 0 FCADRP Cn1cc(N2CC[C@]3(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)cn1 ZINC001253391368 1259838927 /nfs/dbraw/zinc/83/89/27/1259838927.db2.gz KGJNRQLGSOGHDC-APWZRJJASA-N 2 0 363.506 0.988 20 0 FCADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OCC(N)=O ZINC001254196977 1259875448 /nfs/dbraw/zinc/87/54/48/1259875448.db2.gz NSGVBVRCKZHQKJ-UHFFFAOYSA-N 2 0 365.474 0.884 20 0 FCADRP Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523102 1259889215 /nfs/dbraw/zinc/88/92/15/1259889215.db2.gz SBRWPDMUQWIVBQ-BSDSXHPESA-N 2 0 361.490 0.866 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCO)CCN1C(=O)OC(C)(C)C ZINC001256507967 1259953792 /nfs/dbraw/zinc/95/37/92/1259953792.db2.gz ZYDXPSPWAKBFNS-CABCVRRESA-N 2 0 373.494 0.831 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001258373392 1260048123 /nfs/dbraw/zinc/04/81/23/1260048123.db2.gz HNUGBILHKQRGAM-DLBZAZTESA-N 2 0 367.538 0.071 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515736 1260153086 /nfs/dbraw/zinc/15/30/86/1260153086.db2.gz RMRTYXLGZWUMOU-BBWFWOEESA-N 2 0 366.506 0.333 20 0 FCADRP COc1ccc(F)c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001261769316 1260186948 /nfs/dbraw/zinc/18/69/48/1260186948.db2.gz WPCDCYRGLCXPKM-UHFFFAOYSA-N 2 0 368.453 0.402 20 0 FCADRP CC(C)(C)C(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336832768 1260233497 /nfs/dbraw/zinc/23/34/97/1260233497.db2.gz APFWHFCUDBYQFJ-IYBDPMFKSA-N 2 0 365.522 0.759 20 0 FCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001336878141 1260244329 /nfs/dbraw/zinc/24/43/29/1260244329.db2.gz VZHRIULQKHFEJB-YJBOKZPZSA-N 2 0 352.479 0.309 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC001262007166 1260244826 /nfs/dbraw/zinc/24/48/26/1260244826.db2.gz WHWMWOMRHKBMDH-GOSISDBHSA-N 2 0 360.506 0.660 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262046426 1260249782 /nfs/dbraw/zinc/24/97/82/1260249782.db2.gz QIQMFLBUPHMTFK-QRVBRYPASA-N 2 0 366.550 0.925 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001262063243 1260253993 /nfs/dbraw/zinc/25/39/93/1260253993.db2.gz UCKYXZSCAPCTHA-ZACQAIPSSA-N 2 0 366.506 0.210 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001262061626 1260254334 /nfs/dbraw/zinc/25/43/34/1260254334.db2.gz FFGVULVRVDLIEH-GOSISDBHSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001262067197 1260254986 /nfs/dbraw/zinc/25/49/86/1260254986.db2.gz VGQFQKFHRSUTGL-NRSFXHEJSA-N 2 0 358.486 0.867 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001336927370 1260255918 /nfs/dbraw/zinc/25/59/18/1260255918.db2.gz XYYDCQIWOPHETL-HKUYNNGSSA-N 2 0 365.522 0.321 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001336927373 1260256049 /nfs/dbraw/zinc/25/60/49/1260256049.db2.gz XYYDCQIWOPHETL-IEBWSBKVSA-N 2 0 365.522 0.321 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC001332034192 1266319182 /nfs/dbraw/zinc/31/91/82/1266319182.db2.gz COCOTMMQCRUPCM-WMZOPIPTSA-N 2 0 374.485 0.578 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C(F)(F)F ZINC001336961374 1260268826 /nfs/dbraw/zinc/26/88/26/1260268826.db2.gz QWLXHPQIBFTMEO-JHJVBQTASA-N 2 0 364.412 0.924 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC001336961375 1260268921 /nfs/dbraw/zinc/26/89/21/1260268921.db2.gz QWLXHPQIBFTMEO-UPJWGTAASA-N 2 0 364.412 0.924 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC[C@H](C)[NH3+])CCCC2)CC1 ZINC001336964569 1260270699 /nfs/dbraw/zinc/27/06/99/1260270699.db2.gz JJCNQEVWVNKBDE-AWEZNQCLSA-N 2 0 354.495 0.380 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001336966252 1260271133 /nfs/dbraw/zinc/27/11/33/1260271133.db2.gz WLTAUAAIBIWFGG-DOTOQJQBSA-N 2 0 362.474 0.247 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001336979867 1260274971 /nfs/dbraw/zinc/27/49/71/1260274971.db2.gz ADIBJLRFFVOVRS-GOSISDBHSA-N 2 0 351.454 0.936 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC001336996832 1260278560 /nfs/dbraw/zinc/27/85/60/1260278560.db2.gz ACPDPYSKXIWEFX-SFHVURJKSA-N 2 0 364.490 0.612 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001337359140 1260378755 /nfs/dbraw/zinc/37/87/55/1260378755.db2.gz UJIUWDLYGIKHKI-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650330 1260443960 /nfs/dbraw/zinc/44/39/60/1260443960.db2.gz FEJNYIVBPVOIRI-QFBILLFUSA-N 2 0 366.506 0.110 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001272745957 1260497189 /nfs/dbraw/zinc/49/71/89/1260497189.db2.gz UXGBBYBTTBZBTH-DLBZAZTESA-N 2 0 360.502 0.768 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc5c[nH+]cn5c4)CC3)[C@@H]2C1 ZINC001272745914 1260497257 /nfs/dbraw/zinc/49/72/57/1260497257.db2.gz UGHAVMGNEFYGFD-HZPDHXFCSA-N 2 0 353.426 0.617 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)OCC1=O ZINC001272831989 1260513792 /nfs/dbraw/zinc/51/37/92/1260513792.db2.gz CQLLBFHXSGAJNH-LJQANCHMSA-N 2 0 366.506 0.254 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C[C@H]1C[NH+](C)C ZINC001338031850 1260541108 /nfs/dbraw/zinc/54/11/08/1260541108.db2.gz UIASLROXOFFQRP-RBSFLKMASA-N 3 0 361.481 0.612 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001332141026 1266342858 /nfs/dbraw/zinc/34/28/58/1266342858.db2.gz ABGZNAHMEYPJDD-UHFFFAOYSA-N 2 0 364.494 0.776 20 0 FCADRP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3OCCN(CCn4ccnc4)[C@H]3C2)C1 ZINC001273254817 1260638507 /nfs/dbraw/zinc/63/85/07/1260638507.db2.gz MEQILOLHAAQCPB-SQNIBIBYSA-N 2 0 361.490 0.527 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183980 1260686419 /nfs/dbraw/zinc/68/64/19/1260686419.db2.gz UWGHWHNNKNLLBI-PMACEKPBSA-N 2 0 366.550 0.973 20 0 FCADRP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2cn3c(n2)COCC3)cn1 ZINC001278798082 1260734438 /nfs/dbraw/zinc/73/44/38/1260734438.db2.gz VDTNYDCKOLCQOM-CALCHBBNSA-N 2 0 358.446 0.195 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@H]2C1 ZINC001279162835 1260795635 /nfs/dbraw/zinc/79/56/35/1260795635.db2.gz CRAHUOPJFQPFKA-IRXDYDNUSA-N 2 0 362.474 0.648 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN1CCOCC1 ZINC001279246923 1260810343 /nfs/dbraw/zinc/81/03/43/1260810343.db2.gz POIQEAONTMADGJ-GBESFXJTSA-N 2 0 362.518 0.478 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC(CC[NH3+])CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332239331 1266363892 /nfs/dbraw/zinc/36/38/92/1266363892.db2.gz SYILGJJLBVNNBI-UHFFFAOYSA-N 2 0 372.469 0.799 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001332254373 1266366634 /nfs/dbraw/zinc/36/66/34/1266366634.db2.gz WATMORVLGXCDQI-SFHVURJKSA-N 2 0 358.486 0.809 20 0 FCADRP CC/C=C\CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001279520974 1260883180 /nfs/dbraw/zinc/88/31/80/1260883180.db2.gz JLKIDIIKDZFRDN-JEZUCGJFSA-N 2 0 362.518 0.943 20 0 FCADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279916 1266369416 /nfs/dbraw/zinc/36/94/16/1266369416.db2.gz LMTFHFOJXXKILJ-QZTJIDSGSA-N 2 0 369.469 0.650 20 0 FCADRP Cc1n[nH]c(C)c1C[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279674766 1260913520 /nfs/dbraw/zinc/91/35/20/1260913520.db2.gz OWZYNHYBIQYPRA-LJQANCHMSA-N 2 0 362.522 0.745 20 0 FCADRP Cc1n[nH]c(C)c1C[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279674765 1260913629 /nfs/dbraw/zinc/91/36/29/1260913629.db2.gz OWZYNHYBIQYPRA-IBGZPJMESA-N 2 0 362.522 0.745 20 0 FCADRP O=C(N1CCn2cnnc2C1)[C@@]12C[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001279844938 1260942152 /nfs/dbraw/zinc/94/21/52/1260942152.db2.gz YKAACRHZQUAHDR-VQIMIIECSA-N 2 0 358.490 0.818 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@H+](Cc4cn[nH]c4)C[C@@H]3O2)CC1 ZINC001279919284 1260962395 /nfs/dbraw/zinc/96/23/95/1260962395.db2.gz PQOFXLXAKLXBCO-NXHRZFHOSA-N 2 0 361.490 0.942 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001279929169 1260968907 /nfs/dbraw/zinc/96/89/07/1260968907.db2.gz MGSXELVRXFGUBI-XIKOKIGWSA-N 2 0 361.446 0.371 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCOC(C)C)CC3)[C@H]2C1 ZINC001280082371 1260994290 /nfs/dbraw/zinc/99/42/90/1260994290.db2.gz JXSGOKXVUAXDAA-IRXDYDNUSA-N 2 0 369.506 0.544 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC([NH2+]Cc4cn5c(n4)COCC5)(C2)C3)CC1 ZINC001280117955 1261007933 /nfs/dbraw/zinc/00/79/33/1261007933.db2.gz XUCUPRPUJCAUAC-UHFFFAOYSA-N 2 0 359.474 0.636 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280134996 1261012972 /nfs/dbraw/zinc/01/29/72/1261012972.db2.gz IKJJKVGIIRTONN-GOSISDBHSA-N 3 0 364.534 0.772 20 0 FCADRP O=C([C@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2)N1CC2(CC(O)C2)C1 ZINC001280134622 1261013340 /nfs/dbraw/zinc/01/33/40/1261013340.db2.gz DNNMWIYRCFWEHC-QGZVFWFLSA-N 2 0 363.502 0.308 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCC[C@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201374 1261030524 /nfs/dbraw/zinc/03/05/24/1261030524.db2.gz PTFSCXONTHIBQC-ILZDJORESA-N 2 0 365.518 0.793 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280215649 1261035850 /nfs/dbraw/zinc/03/58/50/1261035850.db2.gz OEKQAPXNROCEAR-FOIQADDNSA-N 2 0 364.509 0.905 20 0 FCADRP CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280214808 1261036020 /nfs/dbraw/zinc/03/60/20/1261036020.db2.gz GMRGMDIMZXOFMK-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1c2nc(C(=O)N3CCC([NH+](C)C)CC3)cn2CCN1CC[NH+](C)C ZINC001280219200 1261037770 /nfs/dbraw/zinc/03/77/70/1261037770.db2.gz OGNKEGNHFNOJBK-OAHLLOKOSA-N 2 0 362.522 0.988 20 0 FCADRP C[C@H]1c2nc(C(=O)N3CCC([NH+](C)C)CC3)cn2CCN1CC[NH+](C)C ZINC001280219199 1261037990 /nfs/dbraw/zinc/03/79/90/1261037990.db2.gz OGNKEGNHFNOJBK-HNNXBMFYSA-N 2 0 362.522 0.988 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CC[NH+]3CCCC3)C[C@H]21 ZINC001280224821 1261039562 /nfs/dbraw/zinc/03/95/62/1261039562.db2.gz WGUVXURJYAAPFE-OTWHNJEPSA-N 2 0 362.518 0.478 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2COC(C)(C)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001280227676 1261040161 /nfs/dbraw/zinc/04/01/61/1261040161.db2.gz PZDRTCQHJOXOFL-APWZRJJASA-N 2 0 368.522 0.356 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259439 1261043100 /nfs/dbraw/zinc/04/31/00/1261043100.db2.gz ONGARQPFRRNBLN-AHCXZYCDSA-N 2 0 361.490 0.847 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001281848954 1261232087 /nfs/dbraw/zinc/23/20/87/1261232087.db2.gz YRELWMFZVVAWNC-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+]1CCC2 ZINC001580290587 1278095449 /nfs/dbraw/zinc/09/54/49/1278095449.db2.gz LUWFSGQBSLKHCW-LBPRGKRZSA-N 2 0 356.434 0.229 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001580292412 1278100903 /nfs/dbraw/zinc/10/09/03/1278100903.db2.gz VLSDTDKSCITYMR-LBPRGKRZSA-N 2 0 360.466 0.578 20 0 FCADRP [NH3+]CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001580302690 1278110409 /nfs/dbraw/zinc/11/04/09/1278110409.db2.gz NDAXEGZZFKJZTE-JKSUJKDBSA-N 2 0 364.494 0.637 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2(C[NH+](C)C)CC2)C3)CC[N@@H+]1C ZINC001288558751 1262024625 /nfs/dbraw/zinc/02/46/25/1262024625.db2.gz BKVGXQJRDFWUER-HZPDHXFCSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321525 1278121941 /nfs/dbraw/zinc/12/19/41/1278121941.db2.gz DBWQDCGUXKZDBH-MLGOLLRUSA-N 2 0 370.461 0.284 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696994 1262312517 /nfs/dbraw/zinc/31/25/17/1262312517.db2.gz XULKLYLHFMNYLJ-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001580341156 1278137741 /nfs/dbraw/zinc/13/77/41/1278137741.db2.gz SNDZCHMCUJDCSC-KBRIMQKVSA-N 2 0 369.473 0.755 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179177 1263176226 /nfs/dbraw/zinc/17/62/26/1263176226.db2.gz UWFVBYINQCBVQX-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479368133 1263187330 /nfs/dbraw/zinc/18/73/30/1263187330.db2.gz CJHCDZHTHMCIBH-KBUPBQIOSA-N 2 0 367.494 0.047 20 0 FCADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308167308 1263215345 /nfs/dbraw/zinc/21/53/45/1263215345.db2.gz FAGLPBJGHVYLKT-QLPKVWCKSA-N 2 0 366.506 0.994 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001311752381 1263263659 /nfs/dbraw/zinc/26/36/59/1263263659.db2.gz CBHQZBIIWZQSQO-RDJZCZTQSA-N 2 0 373.457 0.408 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001479672261 1263332105 /nfs/dbraw/zinc/33/21/05/1263332105.db2.gz OSDNBGMOBUYPSB-SQNIBIBYSA-N 2 0 353.507 0.506 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCCCn1cncn1 ZINC001316597036 1263385136 /nfs/dbraw/zinc/38/51/36/1263385136.db2.gz MUVLBLGRAAEXJD-IAGOWNOFSA-N 2 0 360.506 0.981 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3(CS(C)(=O)=O)CC3)CCC2)CC[N@@H+]1C ZINC001484634291 1263481127 /nfs/dbraw/zinc/48/11/27/1263481127.db2.gz JDXIEUWLBJSZMI-HUUCEWRRSA-N 2 0 371.547 0.780 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318502035 1263581023 /nfs/dbraw/zinc/58/10/23/1263581023.db2.gz FKKSGIBWMZRZCN-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001487189256 1263594251 /nfs/dbraw/zinc/59/42/51/1263594251.db2.gz CAIHIJUEAMLQBT-CKEIUWERSA-N 2 0 350.507 0.774 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC001320359194 1263788382 /nfs/dbraw/zinc/78/83/82/1263788382.db2.gz IZPXHIRBQJZTSF-FQEVSTJZSA-N 2 0 371.529 0.440 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@H](O)Cn3cccn3)CCCC2)CC[N@@H+]1C ZINC001495161030 1263801040 /nfs/dbraw/zinc/80/10/40/1263801040.db2.gz SIVGLVIGVKPPDK-IXDOHACOSA-N 2 0 363.506 0.603 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001497148135 1263918068 /nfs/dbraw/zinc/91/80/68/1263918068.db2.gz ATEDIPCQWXBNJT-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001321632905 1264017345 /nfs/dbraw/zinc/01/73/45/1264017345.db2.gz SWQOBQYIVNFSLF-UHFFFAOYSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001502870477 1264184030 /nfs/dbraw/zinc/18/40/30/1264184030.db2.gz NIHIRUNOGOUYIQ-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001502922539 1264186689 /nfs/dbraw/zinc/18/66/89/1264186689.db2.gz LZPTXRXNRWOQPI-RRFJBIMHSA-N 2 0 364.494 0.019 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001322598954 1264228047 /nfs/dbraw/zinc/22/80/47/1264228047.db2.gz WGDLITDUYNYUEI-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580400592 1278225331 /nfs/dbraw/zinc/22/53/31/1278225331.db2.gz GJNXSMVCRPRARV-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001323427029 1264427430 /nfs/dbraw/zinc/42/74/30/1264427430.db2.gz HUZSAUPXYXUXMG-IAGOWNOFSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001324566699 1264673112 /nfs/dbraw/zinc/67/31/12/1264673112.db2.gz ZBTZGGOBVKXIBZ-IRXDYDNUSA-N 2 0 359.474 0.719 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC001325087847 1264771417 /nfs/dbraw/zinc/77/14/17/1264771417.db2.gz ZHAJLSOZJIJRFT-XLIONFOSSA-N 2 0 360.502 0.785 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC2(CCOCC2)C1 ZINC001325199363 1264805169 /nfs/dbraw/zinc/80/51/69/1264805169.db2.gz DNOYEROBZDBNHE-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001580403342 1278235348 /nfs/dbraw/zinc/23/53/48/1278235348.db2.gz NAZVDBZHHBKKKX-LLVKDONJSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC001325728351 1264981377 /nfs/dbraw/zinc/98/13/77/1264981377.db2.gz GGYUIJASVMIESI-HZPDHXFCSA-N 2 0 373.501 0.263 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580406509 1278240749 /nfs/dbraw/zinc/24/07/49/1278240749.db2.gz MWXVFPJEZUGHKK-HIFRSBDPSA-N 2 0 357.462 0.803 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001326036685 1265049847 /nfs/dbraw/zinc/04/98/47/1265049847.db2.gz TWUVOPIBOZBWGO-OKZBNKHCSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001580406625 1278244320 /nfs/dbraw/zinc/24/43/20/1278244320.db2.gz QVEFEPYEHVFXSJ-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC001326551058 1265133060 /nfs/dbraw/zinc/13/30/60/1265133060.db2.gz RPGGPHDAUPNLES-QKLQHJQFSA-N 2 0 358.486 0.993 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001326971013 1265211212 /nfs/dbraw/zinc/21/12/12/1265211212.db2.gz XNGVLMRBQRMWPX-QGZVFWFLSA-N 2 0 357.458 0.427 20 0 FCADRP [NH3+]CCN(CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC001327196574 1265250928 /nfs/dbraw/zinc/25/09/28/1265250928.db2.gz RDHRBNDZFJNMQU-LJQANCHMSA-N 2 0 360.502 0.628 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001327213417 1265256577 /nfs/dbraw/zinc/25/65/77/1265256577.db2.gz SJLGUASXZCNXDQ-BRWVUGGUSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001327324030 1265285874 /nfs/dbraw/zinc/28/58/74/1265285874.db2.gz LWKYMAROOCNKEG-XMTFNYHQSA-N 2 0 367.538 0.550 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001327487891 1265340048 /nfs/dbraw/zinc/34/00/48/1265340048.db2.gz XZZLBGFPNSXEGY-OAHLLOKOSA-N 2 0 361.490 0.524 20 0 FCADRP Cc1ncc2n1CC[C@@H](C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2 ZINC001327560794 1265359177 /nfs/dbraw/zinc/35/91/77/1265359177.db2.gz ZFXIMJXRYXDVGZ-MRXNPFEDSA-N 2 0 362.474 0.440 20 0 FCADRP O=C1CC2(CN1)CC[NH+](C/C=C\C[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC001327642432 1265384201 /nfs/dbraw/zinc/38/42/01/1265384201.db2.gz IPVYZFOCUVHRHA-UPHRSURJSA-N 2 0 360.502 0.747 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001332572773 1266432294 /nfs/dbraw/zinc/43/22/94/1266432294.db2.gz JHDQOVRXEPXASQ-KZNAEPCWSA-N 2 0 365.522 0.176 20 0 FCADRP O=C1NCC2(CC[NH+](C/C=C/C[NH+]3CCC4(CNC(=O)O4)CC3)CC2)O1 ZINC001332727918 1266468683 /nfs/dbraw/zinc/46/86/83/1266468683.db2.gz IWMBXUPTDIMGBI-OWOJBTEDSA-N 2 0 364.446 0.691 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397696 1266591105 /nfs/dbraw/zinc/59/11/05/1266591105.db2.gz MMPMPISWAVRPMK-JKSUJKDBSA-N 2 0 366.506 0.252 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001333403359 1266592366 /nfs/dbraw/zinc/59/23/66/1266592366.db2.gz KFQFDQZDBLPCBQ-BZUAXINKSA-N 2 0 366.506 0.237 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)ccn2)CC1 ZINC001333573840 1266635382 /nfs/dbraw/zinc/63/53/82/1266635382.db2.gz DLQPOOYOQGLHAZ-IRXDYDNUSA-N 2 0 358.490 0.869 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC001334007029 1266775041 /nfs/dbraw/zinc/77/50/41/1266775041.db2.gz YLLFDECTYXIZBZ-ULQDDVLXSA-N 2 0 350.507 0.810 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC001334007027 1266775747 /nfs/dbraw/zinc/77/57/47/1266775747.db2.gz YLLFDECTYXIZBZ-BRWVUGGUSA-N 2 0 350.507 0.810 20 0 FCADRP CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001529213011 1267044221 /nfs/dbraw/zinc/04/42/21/1267044221.db2.gz UDSWKIIUPMCPQP-GOSISDBHSA-N 2 0 358.486 0.789 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)CC1 ZINC001335060436 1267307753 /nfs/dbraw/zinc/30/77/53/1267307753.db2.gz QFNJRVNDTSRLQX-QGZVFWFLSA-N 2 0 366.506 0.014 20 0 FCADRP Cn1nccc1[C@H]1[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCC[N@@H+]1C ZINC001548941617 1267775810 /nfs/dbraw/zinc/77/58/10/1267775810.db2.gz XLRGEIKNZPKSSY-CKEIUWERSA-N 2 0 372.477 0.359 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3[N@@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC001548998232 1267785715 /nfs/dbraw/zinc/78/57/15/1267785715.db2.gz UJPVBCHESYDOQR-KZNAEPCWSA-N 2 0 373.501 0.551 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])cn1 ZINC001549034821 1267792806 /nfs/dbraw/zinc/79/28/06/1267792806.db2.gz SHEJDBJTTZOJRA-NEWSRXKRSA-N 2 0 368.485 0.980 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)C1 ZINC001549037799 1267794057 /nfs/dbraw/zinc/79/40/57/1267794057.db2.gz DKDBXUDIPMQRSD-HNAYVOBHSA-N 2 0 370.497 0.889 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nn1 ZINC001549295571 1267893595 /nfs/dbraw/zinc/89/35/95/1267893595.db2.gz LFNREVQZKLPHNF-TXCZRRACSA-N 2 0 362.478 0.113 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001549736512 1267982668 /nfs/dbraw/zinc/98/26/68/1267982668.db2.gz XEZFUUQPGHJEQR-FUHWJXTLSA-N 2 0 350.507 0.870 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@H]2[NH3+])c1 ZINC001549738000 1267983593 /nfs/dbraw/zinc/98/35/93/1267983593.db2.gz PJQVIOMVYOLKMU-OLZOCXBDSA-N 2 0 360.487 0.911 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001549740203 1267984642 /nfs/dbraw/zinc/98/46/42/1267984642.db2.gz ISUMEJNOYKASID-IAGOWNOFSA-N 2 0 374.489 0.011 20 0 FCADRP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC001549762474 1267995972 /nfs/dbraw/zinc/99/59/72/1267995972.db2.gz MKOBHJFUZOZFKJ-BBWFWOEESA-N 2 0 361.490 0.733 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)C1=O ZINC001550092338 1268072705 /nfs/dbraw/zinc/07/27/05/1268072705.db2.gz BIXNWEVCMPXZIX-BBRMVZONSA-N 2 0 374.489 0.144 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)c3cn([C@@H]4CCCC[C@@H]4[NH3+])nn3)C2)CC1 ZINC001550116225 1268078136 /nfs/dbraw/zinc/07/81/36/1268078136.db2.gz KONAPERKNWWGLA-HLLBOEOZSA-N 2 0 361.494 0.182 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC001550199437 1268090357 /nfs/dbraw/zinc/09/03/57/1268090357.db2.gz DWRGOCBDRTYZBM-PBHICJAKSA-N 2 0 356.430 0.608 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001550201828 1268092057 /nfs/dbraw/zinc/09/20/57/1268092057.db2.gz JGWFOFMROJKXTF-CABCVRRESA-N 2 0 354.470 0.657 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550266055 1268100427 /nfs/dbraw/zinc/10/04/27/1268100427.db2.gz QVZLZJKRXOBLKC-IEBWSBKVSA-N 2 0 357.502 0.905 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[NH+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476620 1268124232 /nfs/dbraw/zinc/12/42/32/1268124232.db2.gz ALGLFBORZGCHRT-FWCYYJLNSA-N 2 0 351.491 0.446 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001338997079 1268142986 /nfs/dbraw/zinc/14/29/86/1268142986.db2.gz BQIVBCFBUMNYBE-DLBZAZTESA-N 2 0 350.507 0.918 20 0 FCADRP Cn1nccc1[C@@H]1[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704556 1268153817 /nfs/dbraw/zinc/15/38/17/1268153817.db2.gz ZUMGYSXUZZXWDG-MDZRGWNJSA-N 2 0 373.501 0.973 20 0 FCADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001550719424 1268154737 /nfs/dbraw/zinc/15/47/37/1268154737.db2.gz GSSJYUMZSOLNPW-FSDCSDTHSA-N 2 0 374.489 0.045 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]2[NH3+])c1 ZINC001550740418 1268159140 /nfs/dbraw/zinc/15/91/40/1268159140.db2.gz RABXOJGQFKVZPP-IAGOWNOFSA-N 2 0 360.506 0.978 20 0 FCADRP [NH3+][C@@]1(CO)CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001550745053 1268160443 /nfs/dbraw/zinc/16/04/43/1268160443.db2.gz RPOYZTQMRZCZEM-IBGZPJMESA-N 2 0 361.490 0.789 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NCC(=O)N[C@H]4C3)C2)cc1 ZINC001550751825 1268161826 /nfs/dbraw/zinc/16/18/26/1268161826.db2.gz ROGWHFVLYSYMCJ-BZSNNMDCSA-N 2 0 371.485 0.441 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001550757322 1268162468 /nfs/dbraw/zinc/16/24/68/1268162468.db2.gz OBSABRILQINBQQ-ZACQAIPSSA-N 2 0 354.458 0.571 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001550753966 1268162683 /nfs/dbraw/zinc/16/26/83/1268162683.db2.gz HTBRGFRSALNNNP-MDZRGWNJSA-N 2 0 359.474 0.915 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001550753960 1268163181 /nfs/dbraw/zinc/16/31/81/1268163181.db2.gz HTBRGFRSALNNNP-GJYPPUQNSA-N 2 0 359.474 0.915 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550758172 1268164235 /nfs/dbraw/zinc/16/42/35/1268164235.db2.gz FYSORFXVQKYWOG-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP Cn1cc(-c2cc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)on2)cn1 ZINC001550913969 1268184401 /nfs/dbraw/zinc/18/44/01/1268184401.db2.gz QZCZXIIOXHEUOZ-CRAIPNDOSA-N 2 0 358.446 0.812 20 0 FCADRP COc1ccc(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550911823 1268184459 /nfs/dbraw/zinc/18/44/59/1268184459.db2.gz GEOVEZGROYDFAK-QFBILLFUSA-N 2 0 360.458 0.870 20 0 FCADRP CC[NH+]1CCN(CC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001551162123 1268210736 /nfs/dbraw/zinc/21/07/36/1268210736.db2.gz LBZJBAOIPMBVGI-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001551216119 1268213052 /nfs/dbraw/zinc/21/30/52/1268213052.db2.gz BOMFWWFRELKPOF-GBESFXJTSA-N 2 0 359.518 0.877 20 0 FCADRP O=C(CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387259 1268230550 /nfs/dbraw/zinc/23/05/50/1268230550.db2.gz JAOROQLYJROFTR-QZTJIDSGSA-N 2 0 374.485 0.858 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N[C@H]1CCC[NH2+]C[C@H]1F ZINC001551466961 1268256888 /nfs/dbraw/zinc/25/68/88/1268256888.db2.gz ANTJRRJVRMJKTF-MSOLQXFVSA-N 2 0 363.481 0.981 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@@H]12 ZINC001551469372 1268258119 /nfs/dbraw/zinc/25/81/19/1268258119.db2.gz YQRJFDPNFPQNNZ-GUDVDZBRSA-N 2 0 357.502 0.971 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001551469176 1268258271 /nfs/dbraw/zinc/25/82/71/1268258271.db2.gz WWMGUFKBASCDJG-RBUKOAKNSA-N 2 0 357.502 0.985 20 0 FCADRP C[N@H+]1[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]2C[C@H]1CO ZINC001551477848 1268258987 /nfs/dbraw/zinc/25/89/87/1268258987.db2.gz HZVCDPGCXJXPPA-LKGSSIFKSA-N 2 0 358.486 0.752 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001551498421 1268261644 /nfs/dbraw/zinc/26/16/44/1268261644.db2.gz QMRLKIZZHAPGLJ-VMWRSERWSA-N 2 0 354.495 0.515 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551542345 1268264365 /nfs/dbraw/zinc/26/43/65/1268264365.db2.gz BQRHJOYQKMLPJI-UXOAXIEHSA-N 2 0 362.396 0.691 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551547582 1268264535 /nfs/dbraw/zinc/26/45/35/1268264535.db2.gz DOXMQLIORWJUMS-BHEGOAEISA-N 2 0 363.506 0.594 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001551552482 1268265489 /nfs/dbraw/zinc/26/54/89/1268265489.db2.gz DWEQJHKZLKIJJZ-MBGYTDRXSA-N 2 0 363.506 0.274 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001551552499 1268265816 /nfs/dbraw/zinc/26/58/16/1268265816.db2.gz FBCNXDYQJCZJMQ-DOTOQJQBSA-N 2 0 363.506 0.465 20 0 FCADRP CC1(C)C[NH2+][C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551554501 1268266819 /nfs/dbraw/zinc/26/68/19/1268266819.db2.gz KDRMCBRDHZMPMK-LZWOXQAQSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@@H]1CC[NH3+] ZINC001551555193 1268267766 /nfs/dbraw/zinc/26/77/66/1268267766.db2.gz MQMZTEVJGLOWTO-DUFGSWQCSA-N 2 0 351.495 0.260 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556692 1268268517 /nfs/dbraw/zinc/26/85/17/1268268517.db2.gz SPBVEJUSTBPVMI-ZOBUZTSGSA-N 2 0 351.495 0.465 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551568157 1268273422 /nfs/dbraw/zinc/27/34/22/1268273422.db2.gz IATPCQWZFWKPEU-FUHWJXTLSA-N 2 0 365.522 0.616 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551573242 1268274227 /nfs/dbraw/zinc/27/42/27/1268274227.db2.gz WLRKOHFBYSRXLE-AEFFLSMTSA-N 2 0 365.522 0.616 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551578209 1268276636 /nfs/dbraw/zinc/27/66/36/1268276636.db2.gz MKYMQPZVTMQOMD-HFTRVMKXSA-N 2 0 365.522 0.664 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551578690 1268276924 /nfs/dbraw/zinc/27/69/24/1268276924.db2.gz MLBSAKSQEQKZBM-DOTOQJQBSA-N 2 0 351.495 0.404 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551578934 1268276932 /nfs/dbraw/zinc/27/69/32/1268276932.db2.gz NNSGRSRBZVPQOC-WBVHZDCISA-N 2 0 351.495 0.322 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551581509 1268277394 /nfs/dbraw/zinc/27/73/94/1268277394.db2.gz RWAGKSJSCJMQJB-XGWLTEMNSA-N 2 0 351.495 0.402 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001551583710 1268278532 /nfs/dbraw/zinc/27/85/32/1268278532.db2.gz WJPDFYXNCXSVOQ-UXLLHSPISA-N 2 0 351.495 0.417 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001551583171 1268278777 /nfs/dbraw/zinc/27/87/77/1268278777.db2.gz VGMIFXYRENQYID-JWDQPFGJSA-N 2 0 351.495 0.260 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001551586978 1268279703 /nfs/dbraw/zinc/27/97/03/1268279703.db2.gz DELBOVHUZPBTER-RYRKJORJSA-N 2 0 363.506 0.513 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC001551593870 1268281302 /nfs/dbraw/zinc/28/13/02/1268281302.db2.gz OLWXDHZVFKGDNH-WMZOPIPTSA-N 2 0 363.506 0.513 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551597216 1268281593 /nfs/dbraw/zinc/28/15/93/1268281593.db2.gz UUVSFUPGXWSOPC-DFGXFYAUSA-N 2 0 365.522 0.805 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596435 1268282143 /nfs/dbraw/zinc/28/21/43/1268282143.db2.gz TZJFTVGWSCDLFN-LESCRADOSA-N 2 0 365.522 0.616 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)nn1 ZINC001552087006 1268366385 /nfs/dbraw/zinc/36/63/85/1268366385.db2.gz JLFNMZUHVYKTDX-FRFSOERESA-N 2 0 364.494 0.169 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552123285 1268382885 /nfs/dbraw/zinc/38/28/85/1268382885.db2.gz COUZMJAZEIGEAT-KZNAEPCWSA-N 2 0 367.538 0.299 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])nn1 ZINC001552161078 1268396158 /nfs/dbraw/zinc/39/61/58/1268396158.db2.gz SFNWDEMMLDRRKB-BPQIPLTHSA-N 2 0 370.457 0.065 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC001552167806 1268399314 /nfs/dbraw/zinc/39/93/14/1268399314.db2.gz RXKQCSXYBMYMCZ-BFYDXBDKSA-N 2 0 362.478 0.067 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC001552168773 1268401000 /nfs/dbraw/zinc/40/10/00/1268401000.db2.gz GHGUQJQXYLBRTQ-MRXNPFEDSA-N 2 0 361.494 0.101 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)C1 ZINC001552201664 1268408421 /nfs/dbraw/zinc/40/84/21/1268408421.db2.gz RHXMXVHPMOVBQN-JXXFODFXSA-N 2 0 372.469 0.558 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552215948 1268412185 /nfs/dbraw/zinc/41/21/85/1268412185.db2.gz IMVMDFXGQLJHMU-BZUAXINKSA-N 2 0 358.421 0.827 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC001552304036 1268435577 /nfs/dbraw/zinc/43/55/77/1268435577.db2.gz YSGQQPPUKIGMQR-PKOBYXMFSA-N 2 0 358.486 0.912 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111435 1268438424 /nfs/dbraw/zinc/43/84/24/1268438424.db2.gz CAWGPQRNYZRSDH-TZIWHRDSSA-N 2 0 374.529 0.986 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434464 1268461836 /nfs/dbraw/zinc/46/18/36/1268461836.db2.gz RJJGCHIWMSTMBE-KRWDZBQOSA-N 2 0 369.473 0.910 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC)C1 ZINC001340212462 1268471971 /nfs/dbraw/zinc/47/19/71/1268471971.db2.gz HHUOEXIOIDHZML-KBPBESRZSA-N 2 0 350.467 0.951 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001340271031 1268493169 /nfs/dbraw/zinc/49/31/69/1268493169.db2.gz DRJVAAXYXUCHJT-QGZVFWFLSA-N 2 0 363.510 0.706 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340321786 1268510329 /nfs/dbraw/zinc/51/03/29/1268510329.db2.gz CMLOYWNZOFILIQ-QFBILLFUSA-N 2 0 369.506 0.757 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001552803559 1268550919 /nfs/dbraw/zinc/55/09/19/1268550919.db2.gz COHJUANMZFZBHP-GOSISDBHSA-N 2 0 366.554 0.044 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1n1ccnn1 ZINC001552801989 1268550958 /nfs/dbraw/zinc/55/09/58/1268550958.db2.gz XBRQCNMCWNPPHD-LDBYLJPUSA-N 2 0 361.494 0.790 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001552839457 1268557160 /nfs/dbraw/zinc/55/71/60/1268557160.db2.gz JEEQJWYWXTXBDK-GFCCVEGCSA-N 2 0 372.420 0.543 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C[NH3+] ZINC001552846060 1268559829 /nfs/dbraw/zinc/55/98/29/1268559829.db2.gz QMVBFDDIDNTWFP-HBNTYKKESA-N 2 0 358.393 0.186 20 0 FCADRP O=C(N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552914837 1268565391 /nfs/dbraw/zinc/56/53/91/1268565391.db2.gz APLSUCKJMAUHOZ-FUHWJXTLSA-N 2 0 359.474 0.378 20 0 FCADRP Cn1cc([C@H]2[C@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976178 1268571238 /nfs/dbraw/zinc/57/12/38/1268571238.db2.gz OPOVONCGQKJUML-MAUKXSAKSA-N 2 0 362.522 0.413 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC001552995357 1268575838 /nfs/dbraw/zinc/57/58/38/1268575838.db2.gz RUTFRQNUACVAPF-IRXDYDNUSA-N 2 0 366.550 0.828 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1csc(N2CC[NH2+]CC2)n1 ZINC001553356156 1268635912 /nfs/dbraw/zinc/63/59/12/1268635912.db2.gz SGJPXNYGXXCGSP-UHFFFAOYSA-N 2 0 373.486 0.610 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@@H]2C1 ZINC001553392577 1268641746 /nfs/dbraw/zinc/64/17/46/1268641746.db2.gz XYTLIKYKVORFKZ-OXQOHEQNSA-N 2 0 372.469 0.639 20 0 FCADRP CN(C)C(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cc1 ZINC001553389364 1268641839 /nfs/dbraw/zinc/64/18/39/1268641839.db2.gz LDWOULWLYAGOHP-LIRRHRJNSA-N 2 0 360.458 0.633 20 0 FCADRP COCC(=O)Nc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553397052 1268642902 /nfs/dbraw/zinc/64/29/02/1268642902.db2.gz YQBSYAXXBWPLRS-HNAYVOBHSA-N 2 0 360.458 0.429 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)CC2)nc1 ZINC001553425816 1268648306 /nfs/dbraw/zinc/64/83/06/1268648306.db2.gz UMYSGUZVWQUTJH-YESZJQIVSA-N 2 0 359.474 0.311 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424744 1268648585 /nfs/dbraw/zinc/64/85/85/1268648585.db2.gz ZUHBIDJJNZBTDA-JKSUJKDBSA-N 2 0 354.495 0.411 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)C[C@@H](C)O1 ZINC001553430470 1268649136 /nfs/dbraw/zinc/64/91/36/1268649136.db2.gz MUIAENZGICEEDM-SSGTUYFUSA-N 2 0 351.491 0.854 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@H]4CC[NH2+]C[C@H]4C3)ccn2)CC1 ZINC001553424601 1268649186 /nfs/dbraw/zinc/64/91/86/1268649186.db2.gz YHEGYMBFHAVYKI-ROUUACIJSA-N 2 0 372.517 0.974 20 0 FCADRP O=C(N[C@H]1CCO[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001553439133 1268650112 /nfs/dbraw/zinc/65/01/12/1268650112.db2.gz LMDIWJISNILMSA-IRXDYDNUSA-N 2 0 366.506 0.698 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553448055 1268652058 /nfs/dbraw/zinc/65/20/58/1268652058.db2.gz IUYGKOXOUZXOTM-KBXCAEBGSA-N 2 0 351.495 0.370 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC12CCOCC2 ZINC001553463693 1268655716 /nfs/dbraw/zinc/65/57/16/1268655716.db2.gz MNTSDVCCNCDXKO-BRWVUGGUSA-N 2 0 366.506 0.514 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC12CCOCC2 ZINC001553463695 1268655971 /nfs/dbraw/zinc/65/59/71/1268655971.db2.gz MNTSDVCCNCDXKO-GVDBMIGSSA-N 2 0 366.506 0.514 20 0 FCADRP C[C@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553531804 1268663809 /nfs/dbraw/zinc/66/38/09/1268663809.db2.gz VUECMKDQIJWUNM-JKSUJKDBSA-N 2 0 365.522 0.747 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340891583 1268695536 /nfs/dbraw/zinc/69/55/36/1268695536.db2.gz ATDQHPSQDKBDFE-IBGZPJMESA-N 3 0 361.490 0.215 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001340895942 1268698041 /nfs/dbraw/zinc/69/80/41/1268698041.db2.gz TXMDUTTVIFZMPW-SFHVURJKSA-N 2 0 361.490 0.867 20 0 FCADRP C[C@H](OC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001340931169 1268715190 /nfs/dbraw/zinc/71/51/90/1268715190.db2.gz WVIOSFUDVLEGIX-DZJNRPSUSA-N 2 0 351.491 0.998 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)nn1 ZINC001554035522 1268744875 /nfs/dbraw/zinc/74/48/75/1268744875.db2.gz FKRFBLSVLPZKEN-ZFWWWQNUSA-N 2 0 368.401 0.199 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC001341244072 1268886095 /nfs/dbraw/zinc/88/60/95/1268886095.db2.gz LCGCAWDMXXYVBS-OLMNPRSZSA-N 2 0 372.469 0.922 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001341418140 1268984758 /nfs/dbraw/zinc/98/47/58/1268984758.db2.gz POZJMYLHQPAOEQ-XDNAFOTISA-N 2 0 351.539 0.994 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)o3)CC2)C1 ZINC001341635218 1269123674 /nfs/dbraw/zinc/12/36/74/1269123674.db2.gz VVIJXOZWFVGPSJ-MRXNPFEDSA-N 2 0 361.490 0.994 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844833 1269243308 /nfs/dbraw/zinc/24/33/08/1269243308.db2.gz LOSAHYSOWCQCPF-PKOBYXMFSA-N 3 0 371.529 0.484 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001562882501 1269354900 /nfs/dbraw/zinc/35/49/00/1269354900.db2.gz LHKWFKDPQZTPST-UHFFFAOYSA-N 2 0 351.499 0.592 20 0 FCADRP COC1(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC001342355105 1269441257 /nfs/dbraw/zinc/44/12/57/1269441257.db2.gz NYYWTVWPICAIMY-UHFFFAOYSA-N 2 0 360.502 0.866 20 0 FCADRP O=C(CN[C@@H](CCO)c1ccccc1Br)N1CC[NH2+]CC1 ZINC001580553617 1278484818 /nfs/dbraw/zinc/48/48/18/1278484818.db2.gz YXBIDLBXKLONHJ-AWEZNQCLSA-N 2 0 356.264 0.894 20 0 FCADRP CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342449164 1269476366 /nfs/dbraw/zinc/47/63/66/1269476366.db2.gz SNUIHONJWQBJQV-FGTMMUONSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001565865849 1269498461 /nfs/dbraw/zinc/49/84/61/1269498461.db2.gz QCRDZZSLTZPIAC-BQJWPVKWSA-N 2 0 352.523 0.972 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001343013488 1269728989 /nfs/dbraw/zinc/72/89/89/1269728989.db2.gz FWWAYTXMKYUFAZ-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001343064668 1269753681 /nfs/dbraw/zinc/75/36/81/1269753681.db2.gz GDJZJINRKGQARR-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC001343451999 1269912879 /nfs/dbraw/zinc/91/28/79/1269912879.db2.gz IXHCAPBOFKMVKS-SOLBZPMBSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3NC(=O)C[C@]34CC[NH2+]C4)CC2)c1 ZINC001344435483 1270180218 /nfs/dbraw/zinc/18/02/18/1270180218.db2.gz HGEAMPPVOLZIKB-FQEVSTJZSA-N 2 0 371.485 0.503 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001580612388 1278568314 /nfs/dbraw/zinc/56/83/14/1278568314.db2.gz YRZQUDNCFARZRG-SOLBZPMBSA-N 2 0 352.479 0.138 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001573646986 1270847457 /nfs/dbraw/zinc/84/74/57/1270847457.db2.gz ZBUHVRDUXNHUQK-HNNXBMFYSA-N 2 0 363.510 0.558 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977852 1270971658 /nfs/dbraw/zinc/97/16/58/1270971658.db2.gz QXEDBPKWJIWCOI-CZUORRHYSA-N 2 0 372.477 0.790 20 0 FCADRP CC(C)[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001573978120 1270972818 /nfs/dbraw/zinc/97/28/18/1270972818.db2.gz UWSROOHJVRDFOI-AWEZNQCLSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574256123 1271128055 /nfs/dbraw/zinc/12/80/55/1271128055.db2.gz XUHDEEDTLWUAGH-HNNXBMFYSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574260876 1271134070 /nfs/dbraw/zinc/13/40/70/1271134070.db2.gz AIZOIZITKROLJG-INIZCTEOSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289085 1271165316 /nfs/dbraw/zinc/16/53/16/1271165316.db2.gz VQCVHSILMPXCMJ-MRXNPFEDSA-N 2 0 372.477 0.817 20 0 FCADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574365872 1271234563 /nfs/dbraw/zinc/23/45/63/1271234563.db2.gz MTOMVWCASGISLV-UKRRQHHQSA-N 2 0 372.477 0.578 20 0 FCADRP CC(C)[C@@H](CCNC(=O)C[N@H+](C)C(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574370506 1271238857 /nfs/dbraw/zinc/23/88/57/1271238857.db2.gz GWTZHNINKQQWPO-OAHLLOKOSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574542895 1271324482 /nfs/dbraw/zinc/32/44/82/1271324482.db2.gz GHZJIJXAOPGSDP-CHWSQXEVSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595719 1271395955 /nfs/dbraw/zinc/39/59/55/1271395955.db2.gz FVVVGCCRYOPHEA-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603276 1271408070 /nfs/dbraw/zinc/40/80/70/1271408070.db2.gz BLQLWIAWAJOQAY-QWHCGFSZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574672213 1271475786 /nfs/dbraw/zinc/47/57/86/1271475786.db2.gz UVLQRKAZESZMLX-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574672550 1271476971 /nfs/dbraw/zinc/47/69/71/1271476971.db2.gz WLOAOOSYHASPGX-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574854350 1271605798 /nfs/dbraw/zinc/60/57/98/1271605798.db2.gz LOEUOIRVSXIGKM-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873311 1271624089 /nfs/dbraw/zinc/62/40/89/1271624089.db2.gz MVIXVWOKBKSGBU-BBRMVZONSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875578 1271631103 /nfs/dbraw/zinc/63/11/03/1271631103.db2.gz IFTJIHBPPZXDQJ-LBPRGKRZSA-N 2 0 358.450 0.190 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574877106 1271637088 /nfs/dbraw/zinc/63/70/88/1271637088.db2.gz PHIAYUPRCFHSBE-GFCCVEGCSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574889672 1271652556 /nfs/dbraw/zinc/65/25/56/1271652556.db2.gz XSLAJRZCIOUFAL-GUYCJALGSA-N 2 0 369.473 0.803 20 0 FCADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896183 1271658646 /nfs/dbraw/zinc/65/86/46/1271658646.db2.gz BVXAPDGDLQKCSX-DZGCQCFKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574901668 1271664444 /nfs/dbraw/zinc/66/44/44/1271664444.db2.gz GZEJAQRZZYIPDV-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575115955 1271728490 /nfs/dbraw/zinc/72/84/90/1271728490.db2.gz UAGTXRTWGWELCV-DZGCQCFKSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](C[C@H](O)C2CC[NH2+]CC2)C1 ZINC001575214492 1271794178 /nfs/dbraw/zinc/79/41/78/1271794178.db2.gz UXFBJZFKJUCKMM-YJBOKZPZSA-N 2 0 357.495 0.699 20 0 FCADRP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001575217688 1271798785 /nfs/dbraw/zinc/79/87/85/1271798785.db2.gz BNJPCZBWVFLZHK-RUXDESIVSA-N 2 0 352.479 0.842 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575385480 1272030285 /nfs/dbraw/zinc/03/02/85/1272030285.db2.gz NPCSEGVJPZKSNC-KGLIPLIRSA-N 2 0 369.473 0.945 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419873 1272075572 /nfs/dbraw/zinc/07/55/72/1272075572.db2.gz FVWZVEUAQKSYFF-HOTGVXAUSA-N 2 0 352.483 0.019 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419874 1272075939 /nfs/dbraw/zinc/07/59/39/1272075939.db2.gz FVWZVEUAQKSYFF-HZPDHXFCSA-N 2 0 352.483 0.019 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CCO2)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001575648140 1272255272 /nfs/dbraw/zinc/25/52/72/1272255272.db2.gz GVIMREFIBYJPMZ-IUVQAAGXSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@H]([NH2+]CCc1cn[nH]n1)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689955 1272301942 /nfs/dbraw/zinc/30/19/42/1272301942.db2.gz JLTHOIPGWWSGOV-WMLDXEAASA-N 2 0 364.494 0.285 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695977 1272315982 /nfs/dbraw/zinc/31/59/82/1272315982.db2.gz KQLVFXBKMNEDNL-WMLDXEAASA-N 2 0 364.494 0.775 20 0 FCADRP CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCO3)n2CC2([NH3+])COC2)CC1 ZINC001575723361 1272379977 /nfs/dbraw/zinc/37/99/77/1272379977.db2.gz YEHVLSRDFXGFCA-OAHLLOKOSA-N 2 0 364.494 0.824 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@]12C[NH2+]C[C@@H]1CCO2 ZINC001580682535 1278706230 /nfs/dbraw/zinc/70/62/30/1278706230.db2.gz AEEARTBNSNHBFO-FXAWDEMLSA-N 2 0 358.486 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576144325 1272957470 /nfs/dbraw/zinc/95/74/70/1272957470.db2.gz XORQLGFZFCICIC-HUUCEWRRSA-N 2 0 374.493 0.103 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCN(S(C)(=O)=O)CC1 ZINC001576243389 1273021769 /nfs/dbraw/zinc/02/17/69/1273021769.db2.gz BQPLDRMXXUEBOX-ZBFHGGJFSA-N 2 0 359.536 0.795 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254733 1273036189 /nfs/dbraw/zinc/03/61/89/1273036189.db2.gz FAYGTZQGAPOZGW-UONOGXRCSA-N 2 0 372.477 0.530 20 0 FCADRP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001576257476 1273041647 /nfs/dbraw/zinc/04/16/47/1273041647.db2.gz AYPFJCXCMAKVAI-DYVFJYSZSA-N 2 0 358.483 0.049 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576478214 1273316938 /nfs/dbraw/zinc/31/69/38/1273316938.db2.gz QRLNFJVBFTUKHL-UHFFFAOYSA-N 2 0 364.494 0.776 20 0 FCADRP CC[C@H](C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483958 1273327201 /nfs/dbraw/zinc/32/72/01/1273327201.db2.gz DKKWQMBFTBJGNO-SWLSCSKDSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491386 1273347176 /nfs/dbraw/zinc/34/71/76/1273347176.db2.gz YAVWBUYLHGMHQD-SWLSCSKDSA-N 2 0 358.450 0.345 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498157 1273358045 /nfs/dbraw/zinc/35/80/45/1273358045.db2.gz JTVHHTZEIGPFMT-HUUCEWRRSA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@H](C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576499009 1273359658 /nfs/dbraw/zinc/35/96/58/1273359658.db2.gz GOSHUBUYUBZQJD-CQSZACIVSA-N 2 0 358.450 0.393 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576500829 1273366225 /nfs/dbraw/zinc/36/62/25/1273366225.db2.gz ZQFNYQWYAWUSQE-GJZGRUSLSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576500736 1273366508 /nfs/dbraw/zinc/36/65/08/1273366508.db2.gz SNJJFQVZYKFXGK-SEEARECTSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576508272 1273380459 /nfs/dbraw/zinc/38/04/59/1273380459.db2.gz GQMCLOSDRVQUOB-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576514648 1273394547 /nfs/dbraw/zinc/39/45/47/1273394547.db2.gz CXEVCNNCAUBJQZ-GXTWGEPZSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518206 1273402722 /nfs/dbraw/zinc/40/27/22/1273402722.db2.gz KAICGXNMSGRPFG-HOTGVXAUSA-N 2 0 372.477 0.639 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715116 1273585687 /nfs/dbraw/zinc/58/56/87/1273585687.db2.gz SFFDZYRYDGYZMK-QLFBSQMISA-N 2 0 361.494 0.512 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn[nH]3)C2)cn1 ZINC001576749430 1273620564 /nfs/dbraw/zinc/62/05/64/1273620564.db2.gz FBNPYYYSMVTNRF-DZGCQCFKSA-N 2 0 360.466 0.251 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCNCC1=O ZINC001576760283 1273633160 /nfs/dbraw/zinc/63/31/60/1273633160.db2.gz NIRCHTWUEXPDAZ-IKGGRYGDSA-N 2 0 358.486 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC001576772341 1273651683 /nfs/dbraw/zinc/65/16/83/1273651683.db2.gz MFXMEDDQGNEANA-HZPDHXFCSA-N 2 0 353.511 0.175 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788744 1273682951 /nfs/dbraw/zinc/68/29/51/1273682951.db2.gz CPKDEABZROZHAE-GDBMZVCRSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792456 1273692950 /nfs/dbraw/zinc/69/29/50/1273692950.db2.gz VFLQTVQNDLROBD-XJKSGUPXSA-N 2 0 372.477 0.783 20 0 FCADRP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001576839703 1273775286 /nfs/dbraw/zinc/77/52/86/1273775286.db2.gz UBLILBYDOLZBKD-CVEARBPZSA-N 2 0 350.467 0.386 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001576898190 1273897961 /nfs/dbraw/zinc/89/79/61/1273897961.db2.gz NPEJSVAKOSULBJ-GOEBONIOSA-N 2 0 353.511 0.521 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C)C(=O)C1 ZINC001576994596 1274025785 /nfs/dbraw/zinc/02/57/85/1274025785.db2.gz GEFDPMLGTMAPJY-GJZGRUSLSA-N 2 0 363.510 0.711 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CCc1cn[nH]n1 ZINC001577148701 1274200687 /nfs/dbraw/zinc/20/06/87/1274200687.db2.gz DMFVLSJZQADKDY-GDBMZVCRSA-N 2 0 364.494 0.142 20 0 FCADRP CCCC(=O)NCC[NH+]1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577219048 1274256980 /nfs/dbraw/zinc/25/69/80/1274256980.db2.gz VPBFFCYVJCXQOT-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[C@H]1[NH3+] ZINC001577296454 1274313089 /nfs/dbraw/zinc/31/30/89/1274313089.db2.gz PFWIQODYGQNWIP-GPMSIDNRSA-N 2 0 362.522 0.861 20 0 FCADRP CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577445433 1274411343 /nfs/dbraw/zinc/41/13/43/1274411343.db2.gz SMCYVEWJCTUDQE-OAHLLOKOSA-N 2 0 363.510 0.783 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577548009 1274487323 /nfs/dbraw/zinc/48/73/23/1274487323.db2.gz ZHHJHANOTDLQDC-INIZCTEOSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550753 1274490428 /nfs/dbraw/zinc/49/04/28/1274490428.db2.gz NBEKFKNFVKZOFU-SFHVURJKSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577551775 1274491771 /nfs/dbraw/zinc/49/17/71/1274491771.db2.gz UXJVUCMIKOOBLA-ZIAGYGMSSA-N 2 0 372.477 0.532 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577555391 1274496486 /nfs/dbraw/zinc/49/64/86/1274496486.db2.gz ZDDCFYGHMMZQAS-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577554509 1274496495 /nfs/dbraw/zinc/49/64/95/1274496495.db2.gz SPYYVIAZAWDSMA-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577559166 1274504461 /nfs/dbraw/zinc/50/44/61/1274504461.db2.gz STYVMIZMLKHFTC-SFHVURJKSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577560380 1274508142 /nfs/dbraw/zinc/50/81/42/1274508142.db2.gz DDYPNWGXNAVGNI-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[NH2+]CCn1c(C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001577564836 1274519946 /nfs/dbraw/zinc/51/99/46/1274519946.db2.gz OGNYAWDGTXQXOR-UHFFFAOYSA-N 2 0 365.526 0.577 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565316 1274520791 /nfs/dbraw/zinc/52/07/91/1274520791.db2.gz ONHLLQAZRVYWOY-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577567674 1274523683 /nfs/dbraw/zinc/52/36/83/1274523683.db2.gz GUILUEWVPJTZLF-CQSZACIVSA-N 2 0 374.493 0.983 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577568410 1274527835 /nfs/dbraw/zinc/52/78/35/1274527835.db2.gz QPNWYWXJJAPFBQ-HALDLXJZSA-N 2 0 370.461 0.463 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577568078 1274528686 /nfs/dbraw/zinc/52/86/86/1274528686.db2.gz MEQYFKYAMNZILW-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576133 1274543377 /nfs/dbraw/zinc/54/33/77/1274543377.db2.gz QHVFFKFYQZTODJ-OKILXGFUSA-N 2 0 372.477 0.783 20 0 FCADRP CCCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577595258 1274561740 /nfs/dbraw/zinc/56/17/40/1274561740.db2.gz WFRUSEOQJGDCBN-OAHLLOKOSA-N 2 0 372.477 0.997 20 0 FCADRP CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577633733 1274620595 /nfs/dbraw/zinc/62/05/95/1274620595.db2.gz IEKOZMXUQNCPDY-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665009 1274681764 /nfs/dbraw/zinc/68/17/64/1274681764.db2.gz LBYREARZQIUKGH-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665205 1274683388 /nfs/dbraw/zinc/68/33/88/1274683388.db2.gz NHPJXTFTBBYFDZ-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC001577731418 1274807629 /nfs/dbraw/zinc/80/76/29/1274807629.db2.gz PTNQBOKJFJJWAI-CABCVRRESA-N 2 0 365.526 0.930 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849270 1274983713 /nfs/dbraw/zinc/98/37/13/1274983713.db2.gz IGCBDQQHYKLCLQ-UHFFFAOYSA-N 2 0 372.477 0.735 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577855557 1275005387 /nfs/dbraw/zinc/00/53/87/1275005387.db2.gz JDSYBAMXGZWVPT-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577856377 1275011564 /nfs/dbraw/zinc/01/15/64/1275011564.db2.gz XQCFCENQUUOFIA-HIFRSBDPSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001577859343 1275017112 /nfs/dbraw/zinc/01/71/12/1275017112.db2.gz CSOSTHAJXFKTFZ-OKILXGFUSA-N 2 0 370.461 0.498 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577862510 1275027149 /nfs/dbraw/zinc/02/71/49/1275027149.db2.gz DJSXKBAGJQFEPS-LBPRGKRZSA-N 2 0 360.466 0.498 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863719 1275036666 /nfs/dbraw/zinc/03/66/66/1275036666.db2.gz YZNXBBCQTMKBTK-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP CCN(CCNC(=O)CC[N@H+](C)CC)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577869593 1275056483 /nfs/dbraw/zinc/05/64/83/1275056483.db2.gz IJIOYEPQOAZZKH-UHFFFAOYSA-N 2 0 360.466 0.854 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577872106 1275061629 /nfs/dbraw/zinc/06/16/29/1275061629.db2.gz VLSONUAGBVVEHP-WKILWMFISA-N 2 0 357.462 0.945 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C[NH2+]CCc2cn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001577922630 1275130100 /nfs/dbraw/zinc/13/01/00/1275130100.db2.gz FMXCHCBALSIECI-TZMCWYRMSA-N 2 0 374.411 0.670 20 0 FCADRP O=C(N[C@@H](C[NH2+]CCc1cn[nH]n1)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001577974529 1275199464 /nfs/dbraw/zinc/19/94/64/1275199464.db2.gz IJFGXZAEAICAHN-ROUUACIJSA-N 2 0 360.506 0.954 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001578109802 1275412324 /nfs/dbraw/zinc/41/23/24/1275412324.db2.gz IRXRLBPBBHCINP-ZIAGYGMSSA-N 2 0 372.477 0.593 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CCC[NH+]1CCC2 ZINC001578135691 1275435118 /nfs/dbraw/zinc/43/51/18/1275435118.db2.gz FOSGIWAQUAVRFW-UHFFFAOYSA-N 2 0 370.461 0.572 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001578136176 1275435342 /nfs/dbraw/zinc/43/53/42/1275435342.db2.gz NQLUUVQRVJFBCW-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001578138777 1275437951 /nfs/dbraw/zinc/43/79/51/1275437951.db2.gz OHKOIEAJPXWAKW-CQSZACIVSA-N 2 0 354.524 0.791 20 0 FCADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1C[NH2+]C1 ZINC001578142354 1275441809 /nfs/dbraw/zinc/44/18/09/1275441809.db2.gz TVJAQGLMTLAANP-UHFFFAOYSA-N 2 0 364.494 0.335 20 0 FCADRP CCOCc1nnc(N2CC[NH2+][C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578144916 1275443994 /nfs/dbraw/zinc/44/39/94/1275443994.db2.gz TVAFWPRYLQZHSH-OAHLLOKOSA-N 2 0 366.510 0.460 20 0 FCADRP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001578144882 1275444918 /nfs/dbraw/zinc/44/49/18/1275444918.db2.gz SHBBTWAEEJQFMM-OWCLPIDISA-N 2 0 366.510 0.851 20 0 FCADRP CCc1nnc(N2CCC[C@@H]([NH2+]C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578321173 1275661660 /nfs/dbraw/zinc/66/16/60/1275661660.db2.gz MFBKSQAYMWTSMQ-OAHLLOKOSA-N 2 0 350.511 0.876 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001578417020 1275785543 /nfs/dbraw/zinc/78/55/43/1275785543.db2.gz LNCSQBPUAGIMQJ-OAHLLOKOSA-N 2 0 351.499 0.158 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)cc1 ZINC001578419154 1275787694 /nfs/dbraw/zinc/78/76/94/1275787694.db2.gz YGOYIGINZBQNGI-ZIAGYGMSSA-N 2 0 354.401 0.434 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578444455 1275833233 /nfs/dbraw/zinc/83/32/33/1275833233.db2.gz SCUMMFNAFZBJPM-DVOMOZLQSA-N 2 0 372.477 0.673 20 0 FCADRP CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H](C)[NH+](C)C)C1 ZINC001578549954 1275977754 /nfs/dbraw/zinc/97/77/54/1275977754.db2.gz ZCOSHUSAQQYTQC-KKUMJFAQSA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578663923 1276114699 /nfs/dbraw/zinc/11/46/99/1276114699.db2.gz LBXBRTWYGTUJJE-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578671316 1276123706 /nfs/dbraw/zinc/12/37/06/1276123706.db2.gz INTDTZDCLGZLSU-MAUKXSAKSA-N 2 0 350.511 0.589 20 0 FCADRP C[NH2+]CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001578720641 1276194136 /nfs/dbraw/zinc/19/41/36/1276194136.db2.gz JRHSZPLROAFANG-INIZCTEOSA-N 2 0 371.489 0.718 20 0 FCADRP CO[C@H]1C[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936586 1276478985 /nfs/dbraw/zinc/47/89/85/1276478985.db2.gz WCXFPLTUPUVXHU-IRXDYDNUSA-N 2 0 359.474 0.313 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001578970896 1276514490 /nfs/dbraw/zinc/51/44/90/1276514490.db2.gz NHBRISDSMSFOBJ-OAHLLOKOSA-N 2 0 370.461 0.332 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001578971271 1276515659 /nfs/dbraw/zinc/51/56/59/1276515659.db2.gz AEMGMWUNIWGDKT-UHFFFAOYSA-N 2 0 356.434 0.086 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578974179 1276522246 /nfs/dbraw/zinc/52/22/46/1276522246.db2.gz JFIGDXFWEHNODN-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578975712 1276526445 /nfs/dbraw/zinc/52/64/45/1276526445.db2.gz DXEJDQQCORYPCP-UHFFFAOYSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578975741 1276526630 /nfs/dbraw/zinc/52/66/30/1276526630.db2.gz GGYOEXWHMDJSHF-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578975743 1276526748 /nfs/dbraw/zinc/52/67/48/1276526748.db2.gz GIBAUZDAVABEDE-SFHVURJKSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001578977885 1276533511 /nfs/dbraw/zinc/53/35/11/1276533511.db2.gz BAQIJHRBFIFSIB-OAHLLOKOSA-N 2 0 372.477 0.935 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001578977883 1276534136 /nfs/dbraw/zinc/53/41/36/1276534136.db2.gz BAQIJHRBFIFSIB-HNNXBMFYSA-N 2 0 372.477 0.935 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578978871 1276537749 /nfs/dbraw/zinc/53/77/49/1276537749.db2.gz PUMHPFGOZPVSAF-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578980109 1276539128 /nfs/dbraw/zinc/53/91/28/1276539128.db2.gz AJYVPLHVOUSVQQ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578980792 1276542547 /nfs/dbraw/zinc/54/25/47/1276542547.db2.gz PUBFWQVDCJKJCS-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982487 1276545899 /nfs/dbraw/zinc/54/58/99/1276545899.db2.gz RQKXVAPVAODMLB-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578983901 1276549713 /nfs/dbraw/zinc/54/97/13/1276549713.db2.gz RZKHOCWEBKXMGX-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987754 1276557035 /nfs/dbraw/zinc/55/70/35/1276557035.db2.gz QHAWBJGARZCFOH-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578987578 1276557812 /nfs/dbraw/zinc/55/78/12/1276557812.db2.gz JVGHHSPWIMTBTG-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578988221 1276562479 /nfs/dbraw/zinc/56/24/79/1276562479.db2.gz RYLYNDSEQANSCK-OTVXOJSOSA-N 2 0 357.462 0.803 20 0 FCADRP COCCC1(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC001579009103 1276583949 /nfs/dbraw/zinc/58/39/49/1276583949.db2.gz ATHHXWWLLAKVMC-UHFFFAOYSA-N 2 0 355.527 0.470 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CC1=O ZINC001579020671 1276599783 /nfs/dbraw/zinc/59/97/83/1276599783.db2.gz HNHOKXLFNHWHAV-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001579022508 1276602011 /nfs/dbraw/zinc/60/20/11/1276602011.db2.gz YAWUZKCGXZSZST-ZBFHGGJFSA-N 2 0 359.478 0.702 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170010 1276923504 /nfs/dbraw/zinc/92/35/04/1276923504.db2.gz WUOMOQZJGDTMQO-HNNXBMFYSA-N 2 0 361.425 0.648 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323103 1277140480 /nfs/dbraw/zinc/14/04/80/1277140480.db2.gz PPVAWOOUGATEDT-GTPINHCMSA-N 2 0 369.473 0.897 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326008 1277149258 /nfs/dbraw/zinc/14/92/58/1277149258.db2.gz HNTVXXMNYVFKPN-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327897 1277155858 /nfs/dbraw/zinc/15/58/58/1277155858.db2.gz YKFFTTQOYOVANM-HZPDHXFCSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334880 1277173672 /nfs/dbraw/zinc/17/36/72/1277173672.db2.gz ITRDDQZETXOMBE-KGLIPLIRSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339436 1277183677 /nfs/dbraw/zinc/18/36/77/1277183677.db2.gz IERCHQKGRSVEOR-XIRDDKMYSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341564 1277189360 /nfs/dbraw/zinc/18/93/60/1277189360.db2.gz OXZAZMBWWHXAQL-ZDUSSCGKSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341874 1277190889 /nfs/dbraw/zinc/19/08/89/1277190889.db2.gz XJMKGMGENBDKJG-KBPBESRZSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346535 1277198463 /nfs/dbraw/zinc/19/84/63/1277198463.db2.gz RJTCDBOIQNBYQF-GDBMZVCRSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579347272 1277201559 /nfs/dbraw/zinc/20/15/59/1277201559.db2.gz ZYHIVCYGYPWDGY-LBPRGKRZSA-N 2 0 356.434 0.086 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353125 1277209272 /nfs/dbraw/zinc/20/92/72/1277209272.db2.gz DWCZXHNDIPJZJV-XJKSGUPXSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355259 1277218805 /nfs/dbraw/zinc/21/88/05/1277218805.db2.gz DMTDWZDUTZFMRO-HOCLYGCPSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358158 1277226725 /nfs/dbraw/zinc/22/67/25/1277226725.db2.gz AIPBTERHHSREHM-SJORKVTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358687 1277226915 /nfs/dbraw/zinc/22/69/15/1277226915.db2.gz IEMWVHRBFZWAAX-IRXDYDNUSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001579358364 1277226980 /nfs/dbraw/zinc/22/69/80/1277226980.db2.gz CNHYHILRXDZEOO-HNNXBMFYSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579360481 1277237022 /nfs/dbraw/zinc/23/70/22/1277237022.db2.gz JLMIZGDOSYSERQ-LXZKKBNFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362128 1277238262 /nfs/dbraw/zinc/23/82/62/1277238262.db2.gz QEHRHHDPQHNOFV-SFDCQRBFSA-N 2 0 373.486 0.569 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579363204 1277242194 /nfs/dbraw/zinc/24/21/94/1277242194.db2.gz XXRDTLXPRRGNJT-UAGQMJEPSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372018 1277253429 /nfs/dbraw/zinc/25/34/29/1277253429.db2.gz QZZYJAMIDOLKKQ-QAPCUYQASA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372119 1277253454 /nfs/dbraw/zinc/25/34/54/1277253454.db2.gz KAGKJCKZWUSQAM-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001579397287 1277281146 /nfs/dbraw/zinc/28/11/46/1277281146.db2.gz PQMAUMGBQXXNIX-YNEHKIRRSA-N 2 0 353.433 0.789 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001579735695 1277847338 /nfs/dbraw/zinc/84/73/38/1277847338.db2.gz ZJWCILQTPQANQV-CHWSQXEVSA-N 2 0 354.476 0.498 20 0 FCADRP CC(C)([NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001603158195 1287316732 /nfs/dbraw/zinc/31/67/32/1287316732.db2.gz UTLKEXONVQABSJ-UHFFFAOYSA-N 2 0 372.477 0.821 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)cc2)C1 ZINC001580089152 1278003857 /nfs/dbraw/zinc/00/38/57/1278003857.db2.gz LWGZHQFQNSLICM-TWOQFEAHSA-N 2 0 372.469 0.701 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001580098113 1278006565 /nfs/dbraw/zinc/00/65/65/1278006565.db2.gz IEYGKAKSELNJAX-XHSDSOJGSA-N 2 0 351.495 0.357 20 0 FCADRP Cc1cc(N(C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948208 1279154265 /nfs/dbraw/zinc/15/42/65/1279154265.db2.gz PMSCJNXBBYZHPK-HNNXBMFYSA-N 2 0 370.461 0.464 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949438 1279155220 /nfs/dbraw/zinc/15/52/20/1279155220.db2.gz ZXBDEYXLCDWDHE-CYBMUJFWSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955462 1279157979 /nfs/dbraw/zinc/15/79/79/1279157979.db2.gz SOVDVESSMBBQQH-CYBMUJFWSA-N 2 0 358.450 0.559 20 0 FCADRP Cc1cc(N2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954847 1279158537 /nfs/dbraw/zinc/15/85/37/1279158537.db2.gz ASLPGJUBRBAXME-UHFFFAOYSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962036 1279167715 /nfs/dbraw/zinc/16/77/15/1279167715.db2.gz NMGZZWOWHCVHHX-KBPBESRZSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972519 1279173114 /nfs/dbraw/zinc/17/31/14/1279173114.db2.gz WNNOPBJXOORPPJ-OCCSQVGLSA-N 2 0 358.450 0.605 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992954 1279198117 /nfs/dbraw/zinc/19/81/17/1279198117.db2.gz BWXJYLSYNWRCJI-CYBMUJFWSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995429 1279205817 /nfs/dbraw/zinc/20/58/17/1279205817.db2.gz HIOAAPAXALDVRI-WFASDCNBSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NC2CCN(C(=O)C[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005969 1279224590 /nfs/dbraw/zinc/22/45/90/1279224590.db2.gz ICUPVSFWFGSTKY-UHFFFAOYSA-N 2 0 370.461 0.491 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006306 1279224651 /nfs/dbraw/zinc/22/46/51/1279224651.db2.gz OPVWKVNKIMJKGN-DZGCQCFKSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012851 1279239867 /nfs/dbraw/zinc/23/98/67/1279239867.db2.gz CFPROHNPEKBTLE-ZIAGYGMSSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015964 1279243821 /nfs/dbraw/zinc/24/38/21/1279243821.db2.gz FLUYYQTWFWNUPS-HNNXBMFYSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)CCC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016733 1279245511 /nfs/dbraw/zinc/24/55/11/1279245511.db2.gz QTUFUXMIBHLTBU-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581019408 1279249904 /nfs/dbraw/zinc/24/99/04/1279249904.db2.gz ZMXJKEXBNDZAEV-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024577 1279256771 /nfs/dbraw/zinc/25/67/71/1279256771.db2.gz JASLTBVXDOOOQC-MLGOLLRUSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027721 1279260775 /nfs/dbraw/zinc/26/07/75/1279260775.db2.gz VWZZQHCZNSFQMX-OCCSQVGLSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027228 1279261709 /nfs/dbraw/zinc/26/17/09/1279261709.db2.gz NNHCVHCVUSXCDN-OAHLLOKOSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027083 1279261837 /nfs/dbraw/zinc/26/18/37/1279261837.db2.gz LKVQSCVGVMPUPI-CYBMUJFWSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028300 1279264759 /nfs/dbraw/zinc/26/47/59/1279264759.db2.gz PCWWXMINZRYCMI-ZIAGYGMSSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030249 1279265561 /nfs/dbraw/zinc/26/55/61/1279265561.db2.gz QZRLFULNTGLOBW-CYBMUJFWSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030541 1279268609 /nfs/dbraw/zinc/26/86/09/1279268609.db2.gz DKBVYAFUWCWMBU-CQSZACIVSA-N 2 0 372.477 0.785 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001603318284 1287352707 /nfs/dbraw/zinc/35/27/07/1287352707.db2.gz CEQJLBDMYQVBQL-UHFFFAOYSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318263 1287352863 /nfs/dbraw/zinc/35/28/63/1287352863.db2.gz BPCFRHYVHBPNQE-UHFFFAOYSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001603477137 1287384552 /nfs/dbraw/zinc/38/45/52/1287384552.db2.gz ZBPHMFLUIZZLLC-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001716731870 1287388523 /nfs/dbraw/zinc/38/85/23/1287388523.db2.gz QBHFZQNNTMLBIJ-MDZRGWNJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nn[nH]n1)Cn1ccnc1 ZINC001603552071 1287420046 /nfs/dbraw/zinc/42/00/46/1287420046.db2.gz PJXWDJWMOWJOOH-KGLIPLIRSA-N 2 0 357.418 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581820002 1280565166 /nfs/dbraw/zinc/56/51/66/1280565166.db2.gz FLZHHUWYDOOEMO-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581820001 1280566030 /nfs/dbraw/zinc/56/60/30/1280566030.db2.gz FLZHHUWYDOOEMO-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581950318 1280780260 /nfs/dbraw/zinc/78/02/60/1280780260.db2.gz ZAQBGGFUQFSCBA-HIFRSBDPSA-N 2 0 368.445 0.038 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582047337 1280967752 /nfs/dbraw/zinc/96/77/52/1280967752.db2.gz ZYQYAMHPVRBJOW-OKILXGFUSA-N 2 0 370.461 0.619 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582097333 1281052451 /nfs/dbraw/zinc/05/24/51/1281052451.db2.gz FAGFPUVPEKXAFH-QGZVFWFLSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582097752 1281052558 /nfs/dbraw/zinc/05/25/58/1281052558.db2.gz MHNHHIUJSWMFIB-UHFFFAOYSA-N 2 0 356.434 0.182 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001582099046 1281054778 /nfs/dbraw/zinc/05/47/78/1281054778.db2.gz HMTZVEIDCRLLOH-UHFFFAOYSA-N 2 0 361.475 0.762 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001582099170 1281054955 /nfs/dbraw/zinc/05/49/55/1281054955.db2.gz KPNSQCCQUZQKDB-UHFFFAOYSA-N 2 0 373.436 0.840 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582099309 1281055972 /nfs/dbraw/zinc/05/59/72/1281055972.db2.gz OHSMLDMMCPFTGS-HNNXBMFYSA-N 2 0 355.446 0.653 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001582099578 1281056720 /nfs/dbraw/zinc/05/67/20/1281056720.db2.gz VHFJKAVRTSNHHJ-UHFFFAOYSA-N 2 0 373.436 0.840 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582100883 1281057577 /nfs/dbraw/zinc/05/75/77/1281057577.db2.gz SIWSUXRTDDDMFC-JCNLHEQBSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001582601284 1281790625 /nfs/dbraw/zinc/79/06/25/1281790625.db2.gz GMVFOVOPIUGPOT-BETUJISGSA-N 2 0 368.445 0.371 20 0 FCADRP O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582611091 1281804705 /nfs/dbraw/zinc/80/47/05/1281804705.db2.gz HGZTUFBXWAFMTO-WKILWMFISA-N 2 0 367.457 0.699 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001585001779 1282191580 /nfs/dbraw/zinc/19/15/80/1282191580.db2.gz JMFOYEWICPALLG-KFWWJZLASA-N 2 0 356.486 0.772 20 0 FCADRP COC(=O)c1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)n1 ZINC001632720223 1282201070 /nfs/dbraw/zinc/20/10/70/1282201070.db2.gz SSTYGQFVGZCPET-UHFFFAOYSA-N 2 0 353.467 0.552 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001604270338 1287596932 /nfs/dbraw/zinc/59/69/32/1287596932.db2.gz BQVHDZHBFKAELN-KBPBESRZSA-N 2 0 372.477 0.735 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589630194 1282920252 /nfs/dbraw/zinc/92/02/52/1282920252.db2.gz PEJCDQRUXJYZLW-MRXNPFEDSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000740 1282987356 /nfs/dbraw/zinc/98/73/56/1282987356.db2.gz RBGVQOQHPDRXPC-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589812593 1283035687 /nfs/dbraw/zinc/03/56/87/1283035687.db2.gz AOFREGXJLVROLY-CJNGLKHVSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589848833 1283081717 /nfs/dbraw/zinc/08/17/17/1283081717.db2.gz YMWRZMOPDWKTSI-CYBMUJFWSA-N 2 0 372.477 0.820 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590227093 1283357616 /nfs/dbraw/zinc/35/76/16/1283357616.db2.gz KKTIZFAOBBLQKR-KBPBESRZSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271264 1283397606 /nfs/dbraw/zinc/39/76/06/1283397606.db2.gz YSTCJPXHDDSQEX-FAAWYNLUSA-N 2 0 369.473 0.971 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001680808654 1283445708 /nfs/dbraw/zinc/44/57/08/1283445708.db2.gz YJNWPHYKGCAUQG-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001590677541 1283725703 /nfs/dbraw/zinc/72/57/03/1283725703.db2.gz ONGLHHUEWBLCEV-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733023 1283767028 /nfs/dbraw/zinc/76/70/28/1283767028.db2.gz KKYVRWKMHHAMIR-DWTRPJMMSA-N 2 0 370.461 0.642 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001591020191 1284074804 /nfs/dbraw/zinc/07/48/04/1284074804.db2.gz BZZJJLMXGPDSSL-UHFFFAOYSA-N 2 0 358.450 0.152 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001683750936 1284104279 /nfs/dbraw/zinc/10/42/79/1284104279.db2.gz DRYNPDPKIZSVBF-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175331 1284267080 /nfs/dbraw/zinc/26/70/80/1284267080.db2.gz LOOKPUWGVVKOMV-MBVDDHJVSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176720 1284270454 /nfs/dbraw/zinc/27/04/54/1284270454.db2.gz UCQCEAGGSAQTKG-MBVDDHJVSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176723 1284271617 /nfs/dbraw/zinc/27/16/17/1284271617.db2.gz UCQCEAGGSAQTKG-XVWMLYKFSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178595 1284277331 /nfs/dbraw/zinc/27/73/31/1284277331.db2.gz WTDLGEKMXUTHAT-MELADBBJSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[NH+](C)C1 ZINC001591184813 1284293074 /nfs/dbraw/zinc/29/30/74/1284293074.db2.gz PMHPVOWYDCNYDW-HUUCEWRRSA-N 2 0 360.462 0.880 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001591561595 1284734567 /nfs/dbraw/zinc/73/45/67/1284734567.db2.gz KLMLSQIAIBJYOE-UHFFFAOYSA-N 2 0 373.461 0.565 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001565 1285051310 /nfs/dbraw/zinc/05/13/10/1285051310.db2.gz CHIMTUNUJTYFIY-DZGCQCFKSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001567 1285051588 /nfs/dbraw/zinc/05/15/88/1285051588.db2.gz CHIMTUNUJTYFIY-UKRRQHHQSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592009545 1285060434 /nfs/dbraw/zinc/06/04/34/1285060434.db2.gz HRYFUFBHBNWBBE-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049518 1285094208 /nfs/dbraw/zinc/09/42/08/1285094208.db2.gz XUJRLRSOOZCJSC-ZDUSSCGKSA-N 2 0 358.450 0.395 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001604849408 1287798718 /nfs/dbraw/zinc/79/87/18/1287798718.db2.gz LRTGGHCCSCDCQU-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001592741450 1285659399 /nfs/dbraw/zinc/65/93/99/1285659399.db2.gz SKGAPCXQBQRPJF-UYTSQGDYSA-N 2 0 358.446 0.951 20 0 FCADRP [NH3+]CCCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592744021 1285662056 /nfs/dbraw/zinc/66/20/56/1285662056.db2.gz JPOIMYAPNPNXLS-UHFFFAOYSA-N 2 0 372.477 0.823 20 0 FCADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505704 1286185170 /nfs/dbraw/zinc/18/51/70/1286185170.db2.gz PBGYOVYAAPDFMB-DZGCQCFKSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001593507931 1286186619 /nfs/dbraw/zinc/18/66/19/1286186619.db2.gz LYMWYLMGMGEWNR-VYDXJSESSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593505981 1286187114 /nfs/dbraw/zinc/18/71/14/1286187114.db2.gz UVEHGBYOCDUVTC-RDTXWAMCSA-N 2 0 372.473 0.991 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001593512337 1286190705 /nfs/dbraw/zinc/19/07/05/1286190705.db2.gz UVJYHFMWUWQQRH-HOTGVXAUSA-N 2 0 372.473 0.928 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001735996358 1289115401 /nfs/dbraw/zinc/11/54/01/1289115401.db2.gz RPOILRSEVXUNCO-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@H](C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001603015650 1287185647 /nfs/dbraw/zinc/18/56/47/1287185647.db2.gz QYYOHBOWWRVQPH-CQSZACIVSA-N 2 0 372.477 0.866 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001604860382 1287800925 /nfs/dbraw/zinc/80/09/25/1287800925.db2.gz JLMIZGDOSYSERQ-QRTARXTBSA-N 2 0 369.473 0.945 20 0 FCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001604962173 1287820949 /nfs/dbraw/zinc/82/09/49/1287820949.db2.gz JIXWQGITKZEGKS-KRXQYRFLSA-N 2 0 372.429 0.112 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243996 1287936926 /nfs/dbraw/zinc/93/69/26/1287936926.db2.gz PEAKESLSZACPNT-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP Cc1cc(N2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605695201 1288053414 /nfs/dbraw/zinc/05/34/14/1288053414.db2.gz NPKOHKHCINHJDQ-AWEZNQCLSA-N 2 0 370.461 0.751 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605699649 1288053422 /nfs/dbraw/zinc/05/34/22/1288053422.db2.gz KUVNONBYOPITEL-DFBGVHRSSA-N 2 0 370.461 0.605 20 0 FCADRP Cc1cc(NCCCNC(=O)C[N@@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733743 1288065483 /nfs/dbraw/zinc/06/54/83/1288065483.db2.gz KSYMPTPZWSVTNF-UHFFFAOYSA-N 2 0 374.493 0.888 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)CC1 ZINC001719342682 1288102768 /nfs/dbraw/zinc/10/27/68/1288102768.db2.gz NPHBHMHYFNKXPV-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001721399482 1288334771 /nfs/dbraw/zinc/33/47/71/1288334771.db2.gz HZKFKLNEKGHGPT-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001607054986 1288626015 /nfs/dbraw/zinc/62/60/15/1288626015.db2.gz RFFCTYITEQWTPD-JKSUJKDBSA-N 2 0 369.429 0.624 20 0 FCADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104869 1288663189 /nfs/dbraw/zinc/66/31/89/1288663189.db2.gz RYGANCDULCIZQH-SJORKVTESA-N 2 0 360.462 0.727 20 0 FCADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001691924855 1289343139 /nfs/dbraw/zinc/34/31/39/1289343139.db2.gz HJQBWUUJLLAVHE-GVDBMIGSSA-N 2 0 350.507 0.871 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001691983157 1289356398 /nfs/dbraw/zinc/35/63/98/1289356398.db2.gz VMVUCCIMWPDOLD-ZWKOTPCHSA-N 2 0 363.506 0.827 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001692087052 1289395483 /nfs/dbraw/zinc/39/54/83/1289395483.db2.gz WXEIYYBFDODEGI-SJORKVTESA-N 2 0 367.538 0.815 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001692092431 1289398970 /nfs/dbraw/zinc/39/89/70/1289398970.db2.gz PZIRQGJASXEWQP-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001692328923 1289446878 /nfs/dbraw/zinc/44/68/78/1289446878.db2.gz LZRLCFSSAXEGGZ-DLBZAZTESA-N 2 0 362.474 0.406 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001698952032 1289539528 /nfs/dbraw/zinc/53/95/28/1289539528.db2.gz NLLOLIKYONMWLT-UKRRQHHQSA-N 2 0 367.494 0.082 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309248 1289549708 /nfs/dbraw/zinc/54/97/08/1289549708.db2.gz XJOQUNAVFOCFAS-BQWVTDQKSA-N 2 0 370.497 0.872 20 0 FCADRP CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309308 1289550710 /nfs/dbraw/zinc/55/07/10/1289550710.db2.gz XRERHVOSVVQMMO-OCXQYPQTSA-N 2 0 358.486 0.858 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCNC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001699363264 1289551849 /nfs/dbraw/zinc/55/18/49/1289551849.db2.gz OTBLMONBHYXESW-QLFBSQMISA-N 2 0 355.527 0.909 20 0 FCADRP Cc1noc(CCC[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001699898544 1289573370 /nfs/dbraw/zinc/57/33/70/1289573370.db2.gz OLMPFRCYBFJXDT-DDUZABMNSA-N 2 0 365.478 0.204 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001701916472 1289716006 /nfs/dbraw/zinc/71/60/06/1289716006.db2.gz BOWMPYISRDHAKF-PRLABOORSA-N 2 0 350.507 0.917 20 0 FCADRP CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001614036303 1289733920 /nfs/dbraw/zinc/73/39/20/1289733920.db2.gz IAVQPIXSDYYCBP-JKSUJKDBSA-N 2 0 350.511 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001702212435 1289877675 /nfs/dbraw/zinc/87/76/75/1289877675.db2.gz IQEWMIYQMSAMKV-IAGOWNOFSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001739388522 1289898306 /nfs/dbraw/zinc/89/83/06/1289898306.db2.gz AMMIYSGNVBRHDS-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001753007031 1290618627 /nfs/dbraw/zinc/61/86/27/1290618627.db2.gz YDKAXCJIQQTIDR-IIAWOOMASA-N 2 0 359.536 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C2CC2)CC[N@@H+]1C ZINC001754441862 1290627656 /nfs/dbraw/zinc/62/76/56/1290627656.db2.gz SASVVMUDYXOQKI-YESZJQIVSA-N 2 0 350.507 0.822 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661884 1291289921 /nfs/dbraw/zinc/28/99/21/1291289921.db2.gz CSFQHSKEJXATCX-CVEARBPZSA-N 2 0 355.479 0.583 20 0 FCADRP C[C@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001653481983 1291347393 /nfs/dbraw/zinc/34/73/93/1291347393.db2.gz BUMJWSOLABFZBN-QFBILLFUSA-N 2 0 363.502 0.688 20 0 FCADRP COC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)nc1 ZINC001659452051 1291639331 /nfs/dbraw/zinc/63/93/31/1291639331.db2.gz NIWSARYVXVURKP-UHFFFAOYSA-N 2 0 362.474 0.754 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001661310191 1291687486 /nfs/dbraw/zinc/68/74/86/1291687486.db2.gz GIZLLQZEQNVKKH-YESZJQIVSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001666287385 1291907656 /nfs/dbraw/zinc/90/76/56/1291907656.db2.gz VMUUENZHZLXTSQ-HSFUPAIVSA-N 2 0 363.506 0.601 20 0 FCADRP C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC001686784057 1292957604 /nfs/dbraw/zinc/95/76/04/1292957604.db2.gz FXUKNUXWUASOIM-QGZVFWFLSA-N 2 0 367.538 0.424 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC001686823526 1292961897 /nfs/dbraw/zinc/96/18/97/1292961897.db2.gz NQUCGGZINOESOW-UHFFFAOYSA-N 2 0 360.466 0.502 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001688979605 1294558047 /nfs/dbraw/zinc/55/80/47/1294558047.db2.gz COCDCSMJLDLWRH-XHSDSOJGSA-N 2 0 359.536 0.778 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001689035980 1294580953 /nfs/dbraw/zinc/58/09/53/1294580953.db2.gz MHTDXAGQZHIECA-DLBZAZTESA-N 2 0 361.490 0.436 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001689230113 1294687971 /nfs/dbraw/zinc/68/79/71/1294687971.db2.gz OCDDCIXMGUMYCS-XHSDSOJGSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001689244935 1294703109 /nfs/dbraw/zinc/70/31/09/1294703109.db2.gz KLRPKULDNASRMS-BZUAXINKSA-N 2 0 356.511 0.210 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001689338242 1294759235 /nfs/dbraw/zinc/75/92/35/1294759235.db2.gz KWIIJWNKGWTLKB-KURKYZTESA-N 2 0 363.506 0.699 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCc2ccco2)C2CC2)CC[N@@H+]1C ZINC001690151757 1294859935 /nfs/dbraw/zinc/85/99/35/1294859935.db2.gz SBFJISRAVJBHFX-KBRIMQKVSA-N 2 0 362.474 0.720 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001690151454 1294860469 /nfs/dbraw/zinc/86/04/69/1294860469.db2.gz MGOOTGRPLUBERX-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cc(C)on3)C2)CC[N@@H+]1C ZINC001690338360 1294865028 /nfs/dbraw/zinc/86/50/28/1294865028.db2.gz UHAMGMUSGBRMIN-LJISPDSOSA-N 2 0 363.462 0.889 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCn2cnc3ccccc3c2=O)CC[N@@H+]1C ZINC001690941584 1294893056 /nfs/dbraw/zinc/89/30/56/1294893056.db2.gz IRFNYMFBHVTDSY-HZPDHXFCSA-N 2 0 371.485 0.785 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001691659318 1294906653 /nfs/dbraw/zinc/90/66/53/1294906653.db2.gz FMCXOZADXPPVSC-GVDBMIGSSA-N 2 0 350.507 0.825 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001691759391 1294919837 /nfs/dbraw/zinc/91/98/37/1294919837.db2.gz LUUWCDJLPXHBSO-HZPDHXFCSA-N 2 0 368.522 0.437 20 0 FCADRP c1ncc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164746239 720650051 /nfs/dbraw/zinc/65/00/51/720650051.db2.gz WJQHGRDUMBRSQH-UONOGXRCSA-N 2 0 353.430 0.254 20 0 FCADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164867995 721065383 /nfs/dbraw/zinc/06/53/83/721065383.db2.gz LVFWTQQJFGJZOC-IRXDYDNUSA-N 2 0 366.469 0.997 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(c1ncc3c(n1)C[NH2+]C3)CCC2 ZINC001165002939 722253262 /nfs/dbraw/zinc/25/32/62/722253262.db2.gz XSTXHWCQIKPXMO-UHFFFAOYSA-N 2 0 357.462 0.765 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC001067536392 837465390 /nfs/dbraw/zinc/46/53/90/837465390.db2.gz WRLRKUFDMNCXNI-DJIMGWMZSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015201 837598371 /nfs/dbraw/zinc/59/83/71/837598371.db2.gz KJAGEMVIEVNPBK-IMJJTQAJSA-N 2 0 352.458 0.710 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001071083704 837729343 /nfs/dbraw/zinc/72/93/43/837729343.db2.gz HYBNLMRIWIPZCS-OIISXLGYSA-N 2 0 354.495 0.044 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001099343079 844036467 /nfs/dbraw/zinc/03/64/67/844036467.db2.gz DYLAQROBGRGORG-FRRDWIJNSA-N 2 0 362.396 0.340 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343700 844051790 /nfs/dbraw/zinc/05/17/90/844051790.db2.gz NOQLIQPCOSZDOG-PRLABOORSA-N 2 0 353.511 0.519 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001100345141 844052032 /nfs/dbraw/zinc/05/20/32/844052032.db2.gz RFTDVUCCFZRHTM-MHVXSEJMSA-N 2 0 350.507 0.727 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279637 844130659 /nfs/dbraw/zinc/13/06/59/844130659.db2.gz SPKCDVAOWGXXBW-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP CCN(CC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000745780048 836151234 /nfs/dbraw/zinc/15/12/34/836151234.db2.gz HRVIIHAVFJZQHD-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101343009 844151782 /nfs/dbraw/zinc/15/17/82/844151782.db2.gz YJBGFUOYEKSTMA-AEFFLSMTSA-N 2 0 353.507 0.772 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101341793 844152363 /nfs/dbraw/zinc/15/23/63/844152363.db2.gz PYIYTTAMFCKCSK-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101400496 844174687 /nfs/dbraw/zinc/17/46/87/844174687.db2.gz YZYCEUCSEBWFOX-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405812 844176714 /nfs/dbraw/zinc/17/67/14/844176714.db2.gz QBOXCCKKPBTNQO-APWZRJJASA-N 2 0 353.507 0.914 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418119 844180485 /nfs/dbraw/zinc/18/04/85/844180485.db2.gz AGOKAGVUJVWBBT-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432175 844184059 /nfs/dbraw/zinc/18/40/59/844184059.db2.gz FPWPPWDRPWXTTK-AEFFLSMTSA-N 2 0 357.495 0.008 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429790 844184516 /nfs/dbraw/zinc/18/45/16/844184516.db2.gz ADYUMRWZIBAHKN-LMMKCTJWSA-N 2 0 353.507 0.772 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441037 844187038 /nfs/dbraw/zinc/18/70/38/844187038.db2.gz IZMNVLAEPPUEBU-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461701 844193629 /nfs/dbraw/zinc/19/36/29/844193629.db2.gz PHLKXDXDVNTLES-MDZRGWNJSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061605287 836698572 /nfs/dbraw/zinc/69/85/72/836698572.db2.gz RLTFKRAEPANIMF-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461700 844192588 /nfs/dbraw/zinc/19/25/88/844192588.db2.gz PHLKXDXDVNTLES-GJYPPUQNSA-N 2 0 350.507 0.907 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460362 844192972 /nfs/dbraw/zinc/19/29/72/844192972.db2.gz BGFNPIDINMCTRE-MDZRGWNJSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061829011 836717888 /nfs/dbraw/zinc/71/78/88/836717888.db2.gz HRGXKYFJQQGVLE-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061899272 836720167 /nfs/dbraw/zinc/72/01/67/836720167.db2.gz UQHQSLCUWFQMQH-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464615 844194596 /nfs/dbraw/zinc/19/45/96/844194596.db2.gz QDIKNJFTSZOCHO-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101476050 844200385 /nfs/dbraw/zinc/20/03/85/844200385.db2.gz AFROZFWKNFCBCN-BEFAXECRSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476182 844200478 /nfs/dbraw/zinc/20/04/78/844200478.db2.gz HCASSYDOVZHONV-KHYOSLBOSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065540402 836843197 /nfs/dbraw/zinc/84/31/97/836843197.db2.gz QUPFVWMYFRTZDA-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815817 844278847 /nfs/dbraw/zinc/27/88/47/844278847.db2.gz UTHHDCTZWAZAAM-BZUAXINKSA-N 2 0 353.511 0.472 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999056 838204084 /nfs/dbraw/zinc/20/40/84/838204084.db2.gz BYTXYCTVXMDCJT-BRWVUGGUSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999155 838204474 /nfs/dbraw/zinc/20/44/74/838204474.db2.gz GESGXHKVDKPRCF-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982648 844361619 /nfs/dbraw/zinc/36/16/19/844361619.db2.gz BMTGHQKZBUOMAK-QBPKDAKJSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505011 839002569 /nfs/dbraw/zinc/00/25/69/839002569.db2.gz JWFSUYQZRSCDBD-BRWVUGGUSA-N 2 0 353.507 0.981 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046028 844394063 /nfs/dbraw/zinc/39/40/63/844394063.db2.gz IQKNCAYJOPVMEI-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777306 839151727 /nfs/dbraw/zinc/15/17/27/839151727.db2.gz GXRABASQGGPDIR-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C)[NH+](C)C ZINC001102087908 844408929 /nfs/dbraw/zinc/40/89/29/844408929.db2.gz ATUNWLXEPVVLMS-BZUAXINKSA-N 2 0 355.527 0.718 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001077923751 839234371 /nfs/dbraw/zinc/23/43/71/839234371.db2.gz BIXZQOFKGXMMKF-RCCFBDPRSA-N 2 0 353.507 0.837 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001078229817 839418146 /nfs/dbraw/zinc/41/81/46/839418146.db2.gz ZSKQBPDFVUBFCQ-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189162 844438949 /nfs/dbraw/zinc/43/89/49/844438949.db2.gz YZUBETJMIJAYMG-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079686840 839574528 /nfs/dbraw/zinc/57/45/28/839574528.db2.gz FLIUEPBDIIADFZ-OAGGEKHMSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456301 839728500 /nfs/dbraw/zinc/72/85/00/839728500.db2.gz XWINPGBXXIKQPJ-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C)[NH+](C)C ZINC001102330247 844467097 /nfs/dbraw/zinc/46/70/97/844467097.db2.gz KMPFPTGRXQWCKY-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369781 844477266 /nfs/dbraw/zinc/47/72/66/844477266.db2.gz GTOYQUQDKKMZIS-ZMSDIMECSA-N 2 0 350.507 0.539 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001081796529 840034850 /nfs/dbraw/zinc/03/48/50/840034850.db2.gz ZMCZZMNZNIUXLP-FGTMMUONSA-N 2 0 351.491 0.855 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102473548 844514592 /nfs/dbraw/zinc/51/45/92/844514592.db2.gz FPLNWIOZHYXMII-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202062 840235822 /nfs/dbraw/zinc/23/58/22/840235822.db2.gz CUXKYNHJXAUHNA-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479923 844519433 /nfs/dbraw/zinc/51/94/33/844519433.db2.gz NYAHBVBWSMTCLI-IXDOHACOSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511335 844541483 /nfs/dbraw/zinc/54/14/83/844541483.db2.gz SLCTZXVRMHVILH-GDBMZVCRSA-N 2 0 352.454 0.983 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082557692 840464860 /nfs/dbraw/zinc/46/48/60/840464860.db2.gz ZMTVFZRCDPUNHY-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082557528 840465575 /nfs/dbraw/zinc/46/55/75/840465575.db2.gz LBCVYONWONLCAS-ZIAGYGMSSA-N 2 0 350.463 0.056 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001082561635 840466946 /nfs/dbraw/zinc/46/69/46/840466946.db2.gz GQGGXPLETHIBMY-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1)[NH+](C)C ZINC001082589760 840477521 /nfs/dbraw/zinc/47/75/21/840477521.db2.gz NREYVMIWRWBMCX-BPLDGKMQSA-N 2 0 351.447 0.925 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082612614 840493014 /nfs/dbraw/zinc/49/30/14/840493014.db2.gz WTDUKCPCDPUCBZ-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513261 844545049 /nfs/dbraw/zinc/54/50/49/844545049.db2.gz CCNJHSVVVVLFQJ-HUUCEWRRSA-N 2 0 354.520 0.948 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514369 844546211 /nfs/dbraw/zinc/54/62/11/844546211.db2.gz VCESUQSNRNUQPN-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514370 844546373 /nfs/dbraw/zinc/54/63/73/844546373.db2.gz VCESUQSNRNUQPN-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742662 840542895 /nfs/dbraw/zinc/54/28/95/840542895.db2.gz NZUBRVLAYZMSGH-SQWLQELKSA-N 2 0 366.531 0.997 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082742414 840543151 /nfs/dbraw/zinc/54/31/51/840543151.db2.gz DUDFCJMQIMDUKZ-ZMSDIMECSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082783860 840558918 /nfs/dbraw/zinc/55/89/18/840558918.db2.gz UOYMLQVIXFZKRA-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001082835585 840579844 /nfs/dbraw/zinc/57/98/44/840579844.db2.gz JLQRNMRXEVGGBZ-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCOCC2)C1 ZINC001082923535 840604687 /nfs/dbraw/zinc/60/46/87/840604687.db2.gz NYFWUACFXIIUTG-SOLBZPMBSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082942541 840617241 /nfs/dbraw/zinc/61/72/41/840617241.db2.gz JAXFQDVBWQNMJW-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@H]32)CC1 ZINC001083182960 840780351 /nfs/dbraw/zinc/78/03/51/840780351.db2.gz GIYQMLMLHRGLHB-OKZBNKHCSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580070 844574761 /nfs/dbraw/zinc/57/47/61/844574761.db2.gz DPKHGQZQNRGMOL-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235124 840818646 /nfs/dbraw/zinc/81/86/46/840818646.db2.gz OCMHJZRHENCWQI-HYVNUMGLSA-N 2 0 355.479 0.044 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583110 844577244 /nfs/dbraw/zinc/57/72/44/844577244.db2.gz SYTNRRAGFWHFRD-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CCC1 ZINC001083274817 840857026 /nfs/dbraw/zinc/85/70/26/840857026.db2.gz AWEBJJQDQAWBJF-OKZBNKHCSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083524039 841123297 /nfs/dbraw/zinc/12/32/97/841123297.db2.gz FDRDJHDDTRPZBU-JQHSSLGASA-N 2 0 353.507 0.980 20 0 FCADRP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)CN3CC[C@@H](O)C3)(C1)CCC2 ZINC001275800346 861196442 /nfs/dbraw/zinc/19/64/42/861196442.db2.gz CKPKYQCHDZIMSK-BPQIPLTHSA-N 2 0 355.479 0.225 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083908398 841554958 /nfs/dbraw/zinc/55/49/58/841554958.db2.gz AXBFBQBGWKHMPP-JQHSSLGASA-N 2 0 353.507 0.695 20 0 FCADRP CN(C)CC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275845538 861225898 /nfs/dbraw/zinc/22/58/98/861225898.db2.gz YGCJUEYRPUNROC-IBGZPJMESA-N 2 0 351.539 0.110 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877803 861241437 /nfs/dbraw/zinc/24/14/37/861241437.db2.gz GEMDJTVFZLFJKE-DNVCBOLYSA-N 2 0 351.491 0.999 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878085 861241708 /nfs/dbraw/zinc/24/17/08/861241708.db2.gz GYTNUUJTSCEQSU-QFBILLFUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971325 841974000 /nfs/dbraw/zinc/97/40/00/841974000.db2.gz YUDVWGNUDPZXHE-BBWFWOEESA-N 2 0 353.507 0.648 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1)[NH+](C)C ZINC001085025214 841994146 /nfs/dbraw/zinc/99/41/46/841994146.db2.gz KJQZYIICNVEKPE-UWWQBHOKSA-N 2 0 350.507 0.774 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085050048 841999501 /nfs/dbraw/zinc/99/95/01/841999501.db2.gz SHEKSHSMMRISPW-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001085309437 842074184 /nfs/dbraw/zinc/07/41/84/842074184.db2.gz PHVFTACVYPDNRR-MWDXBVQZSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085421993 842097765 /nfs/dbraw/zinc/09/77/65/842097765.db2.gz DKXWVVSQDQLUHH-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001086371738 842128390 /nfs/dbraw/zinc/12/83/90/842128390.db2.gz VXCPZICLUMGJNM-WRQOLXDDSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001086371192 842128658 /nfs/dbraw/zinc/12/86/58/842128658.db2.gz VMGCMLBTMOWPMA-QBPKDAKJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001086370157 842128686 /nfs/dbraw/zinc/12/86/86/842128686.db2.gz TWFCFYIHJFVNDK-HHARLNAUSA-N 2 0 350.507 0.820 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001086793010 842175111 /nfs/dbraw/zinc/17/51/11/842175111.db2.gz WTZKSIRADQRAOP-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001086841892 842182294 /nfs/dbraw/zinc/18/22/94/842182294.db2.gz CKBQBDMTUBUEGU-USXIJHARSA-N 2 0 350.507 0.870 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087034988 842231594 /nfs/dbraw/zinc/23/15/94/842231594.db2.gz GOXUIIKSDXAXAC-BPLDGKMQSA-N 2 0 353.492 0.585 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087055363 842251994 /nfs/dbraw/zinc/25/19/94/842251994.db2.gz IVARFCHVRWFANO-KBUPBQIOSA-N 2 0 367.519 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087062846 842259836 /nfs/dbraw/zinc/25/98/36/842259836.db2.gz XZUCVOFNPSMJFR-RBSFLKMASA-N 2 0 352.483 0.406 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083482 842276653 /nfs/dbraw/zinc/27/66/53/842276653.db2.gz HJIXIWMUKFKSDX-IIAWOOMASA-N 2 0 351.451 0.365 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087828239 842442911 /nfs/dbraw/zinc/44/29/11/842442911.db2.gz FFMUCHAYQSTHEO-YESZJQIVSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972202 842485329 /nfs/dbraw/zinc/48/53/29/842485329.db2.gz QXAXJBUDDXUYRS-LTIDMASMSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088011235 842499138 /nfs/dbraw/zinc/49/91/38/842499138.db2.gz FHIYJDIJKBAPLH-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088082007 842526756 /nfs/dbraw/zinc/52/67/56/842526756.db2.gz PJSJTMQTQOFPTO-NXOAAHMSSA-N 2 0 350.507 0.585 20 0 FCADRP CO[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153723 842546103 /nfs/dbraw/zinc/54/61/03/842546103.db2.gz HXUFSSBWLDSCTK-BBWFWOEESA-N 2 0 353.507 0.912 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212781 842563295 /nfs/dbraw/zinc/56/32/95/842563295.db2.gz PJMDPWVJJURIGH-SOLBZPMBSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088562953 842613585 /nfs/dbraw/zinc/61/35/85/842613585.db2.gz WFOMASTYQCWAFT-OWCLPIDISA-N 2 0 351.495 0.463 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001091804764 843101996 /nfs/dbraw/zinc/10/19/96/843101996.db2.gz SKRJOEKNBFUMCB-KUHUBIRLSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013324 843141517 /nfs/dbraw/zinc/14/15/17/843141517.db2.gz NRLOXFCTEGEQGH-BVGQSLNGSA-N 2 0 354.470 0.465 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303213 843184019 /nfs/dbraw/zinc/18/40/19/843184019.db2.gz ZJQTYMYVAQEKRL-SUMDDJOVSA-N 2 0 350.507 0.633 20 0 FCADRP CO[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615774 843252291 /nfs/dbraw/zinc/25/22/91/843252291.db2.gz PEIIODIIRXBHSP-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP COCOCCC[N@@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276312092 861407041 /nfs/dbraw/zinc/40/70/41/861407041.db2.gz ISLLFDFHKBIWEC-KRWDZBQOSA-N 2 0 352.435 0.197 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093197298 843405345 /nfs/dbraw/zinc/40/53/45/843405345.db2.gz IOFBPOWNPFDUMN-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093277402 843419922 /nfs/dbraw/zinc/41/99/22/843419922.db2.gz HKHAJYUHHFYOQE-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093287998 843421565 /nfs/dbraw/zinc/42/15/65/843421565.db2.gz NMGKKCZWHQFATR-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1)[NH+](C)C ZINC001093858876 843479811 /nfs/dbraw/zinc/47/98/11/843479811.db2.gz KYNDXKDYADZDOL-RBSFLKMASA-N 2 0 354.474 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094136936 843521785 /nfs/dbraw/zinc/52/17/85/843521785.db2.gz DBAAGKLGIGOSPH-ZIAGYGMSSA-N 2 0 351.451 0.365 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086688 844699098 /nfs/dbraw/zinc/69/90/98/844699098.db2.gz MYJHJKFTUOIWQV-QGPMSJSTSA-N 2 0 352.523 0.879 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374527 844744461 /nfs/dbraw/zinc/74/44/61/844744461.db2.gz GVHGAUVWEFBUFV-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396994 844750739 /nfs/dbraw/zinc/75/07/39/844750739.db2.gz SMZYWVHERALTDS-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398241 844750993 /nfs/dbraw/zinc/75/09/93/844750993.db2.gz JFCGSHZOFAMBHZ-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398063 844751493 /nfs/dbraw/zinc/75/14/93/844751493.db2.gz BCGXXRPCTNLSOB-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435879 844756991 /nfs/dbraw/zinc/75/69/91/844756991.db2.gz CGSQIXMMLQJQHB-ARFHVFGLSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435880 844757550 /nfs/dbraw/zinc/75/75/50/844757550.db2.gz CGSQIXMMLQJQHB-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642196 844793351 /nfs/dbraw/zinc/79/33/51/844793351.db2.gz UFPGEQLSUKEROK-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642148 844793695 /nfs/dbraw/zinc/79/36/95/844793695.db2.gz SCELPFFPAAAUJA-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103642936 844793754 /nfs/dbraw/zinc/79/37/54/844793754.db2.gz BBXISGKSCNZKGO-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643977 844793925 /nfs/dbraw/zinc/79/39/25/844793925.db2.gz ZVCHBMCDGLTVDS-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643873 844794141 /nfs/dbraw/zinc/79/41/41/844794141.db2.gz UKTCPSRIEUFTES-UKRRQHHQSA-N 2 0 369.535 0.999 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103663695 844798016 /nfs/dbraw/zinc/79/80/16/844798016.db2.gz OOVGORXFTQRLNC-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663529 844798157 /nfs/dbraw/zinc/79/81/57/844798157.db2.gz GIKCHUFOURIZNZ-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722482 844806918 /nfs/dbraw/zinc/80/69/18/844806918.db2.gz PDVHFRIUAXJWPS-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721371 844807793 /nfs/dbraw/zinc/80/77/93/844807793.db2.gz PQKJJLIGTKLCOW-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001104322526 844894532 /nfs/dbraw/zinc/89/45/32/844894532.db2.gz OZQGKPFFYQMILD-RKVPGOIHSA-N 2 0 352.523 0.925 20 0 FCADRP COCCCN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276637003 861509784 /nfs/dbraw/zinc/50/97/84/861509784.db2.gz VHPYOPQALAVLIN-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587764 844922643 /nfs/dbraw/zinc/92/26/43/844922643.db2.gz CVHKPJOQXGXJTR-LTIDMASMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001104594604 844922905 /nfs/dbraw/zinc/92/29/05/844922905.db2.gz ASQDTJFTIJEMBZ-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001104599849 844924049 /nfs/dbraw/zinc/92/40/49/844924049.db2.gz ICSRBVLMALGQGL-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001104682179 844932274 /nfs/dbraw/zinc/93/22/74/844932274.db2.gz FHIWRCWYIKSDBN-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001104680555 844932928 /nfs/dbraw/zinc/93/29/28/844932928.db2.gz SIOZMKBOCGZWLX-ARFHVFGLSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(CC[NH+]1CCCCC1)C2 ZINC001276640207 861513504 /nfs/dbraw/zinc/51/35/04/861513504.db2.gz XXRXOJLMTNXLLQ-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ccn(C)n1 ZINC001104908419 844958343 /nfs/dbraw/zinc/95/83/43/844958343.db2.gz WHPAZGSYTZABHO-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)N(C)C ZINC001104912615 844959566 /nfs/dbraw/zinc/95/95/66/844959566.db2.gz WNZDEHLOPGMUJQ-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001105945115 845064433 /nfs/dbraw/zinc/06/44/33/845064433.db2.gz LGXARUMHQFTZHJ-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148387 845115439 /nfs/dbraw/zinc/11/54/39/845115439.db2.gz MUXOMVSTQSKOTE-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106198442 845129844 /nfs/dbraw/zinc/12/98/44/845129844.db2.gz AVPCWVWWZQMZKV-MGPQQGTHSA-N 2 0 355.462 0.074 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106199801 845130560 /nfs/dbraw/zinc/13/05/60/845130560.db2.gz BMZGQBPMULCUMU-OAGGEKHMSA-N 2 0 354.474 0.642 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249549 845142913 /nfs/dbraw/zinc/14/29/13/845142913.db2.gz KGXWJFBBEVPXMD-KYJSFNMBSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106249591 845143024 /nfs/dbraw/zinc/14/30/24/845143024.db2.gz LLSZXKNSINCWBN-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106322069 845153952 /nfs/dbraw/zinc/15/39/52/845153952.db2.gz IBXZIIIPIPFVLK-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106340174 845159357 /nfs/dbraw/zinc/15/93/57/845159357.db2.gz NXSKIDWZJBYHDF-HZSPNIEDSA-N 2 0 351.499 0.686 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106357732 845163402 /nfs/dbraw/zinc/16/34/02/845163402.db2.gz LPXYVPGXCOSHLF-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106371403 845165214 /nfs/dbraw/zinc/16/52/14/845165214.db2.gz YVVFRHNDHMSPDU-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370919 845165292 /nfs/dbraw/zinc/16/52/92/845165292.db2.gz HOAQCAQLJNRJKU-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106471600 845178548 /nfs/dbraw/zinc/17/85/48/845178548.db2.gz BMMDXLYCQCKYGY-OIISXLGYSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106517043 845188572 /nfs/dbraw/zinc/18/85/72/845188572.db2.gz SVXKKHHENBFFBT-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001106588084 845201801 /nfs/dbraw/zinc/20/18/01/845201801.db2.gz CXESJWWRLJRTQI-GDBMZVCRSA-N 2 0 353.463 0.648 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCCNC(=O)C(F)(F)F ZINC001106626366 845207895 /nfs/dbraw/zinc/20/78/95/845207895.db2.gz DURYTYPXBUSMSQ-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP COCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001106626764 845208556 /nfs/dbraw/zinc/20/85/56/845208556.db2.gz KUAKAPHRZHHVCL-MGPQQGTHSA-N 2 0 353.467 0.913 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)[NH+](C)C ZINC001106633616 845209533 /nfs/dbraw/zinc/20/95/33/845209533.db2.gz PQBWBDRWGZENPS-DJIMGWMZSA-N 2 0 352.523 0.783 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)[NH+](CC)CC ZINC001106660199 845216539 /nfs/dbraw/zinc/21/65/39/845216539.db2.gz FOQLBNGQIIJHGV-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)C1 ZINC001106665998 845218559 /nfs/dbraw/zinc/21/85/59/845218559.db2.gz DNMMWAGQGZMMFT-BZUAXINKSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)C1 ZINC001106666769 845220652 /nfs/dbraw/zinc/22/06/52/845220652.db2.gz UJYDGATWIOTFMA-ZMSDIMECSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1)[NH+](C)C ZINC001106674137 845223717 /nfs/dbraw/zinc/22/37/17/845223717.db2.gz UBEORUINBPBJRP-XYPHTWIQSA-N 2 0 350.511 0.919 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1 ZINC001106779309 845251187 /nfs/dbraw/zinc/25/11/87/845251187.db2.gz IHPDYVXJAXVACM-ZIAGYGMSSA-N 2 0 353.467 0.742 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106840320 845265328 /nfs/dbraw/zinc/26/53/28/845265328.db2.gz HUHTZECLCCIHEJ-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106840177 845265767 /nfs/dbraw/zinc/26/57/67/845265767.db2.gz BUFOWPJLJSVBPU-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106874847 845276336 /nfs/dbraw/zinc/27/63/36/845276336.db2.gz VJHMTMXPKSPELS-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106880134 845277028 /nfs/dbraw/zinc/27/70/28/845277028.db2.gz BAJARMSJLQDXSH-ZIAGYGMSSA-N 2 0 353.467 0.394 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCc1ccns1 ZINC001106881225 845278586 /nfs/dbraw/zinc/27/85/86/845278586.db2.gz ZSNUXRQZQKKCAV-HUUCEWRRSA-N 2 0 354.520 0.948 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106904004 845282611 /nfs/dbraw/zinc/28/26/11/845282611.db2.gz VTEYEHVMPYFXGP-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106908168 845284359 /nfs/dbraw/zinc/28/43/59/845284359.db2.gz TVFHBVCPEXPDPC-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981281 845299767 /nfs/dbraw/zinc/29/97/67/845299767.db2.gz HZENOOMZCHQPLC-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981421 845300129 /nfs/dbraw/zinc/30/01/29/845300129.db2.gz MYNOTCGSHJXHNH-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106981438 845300155 /nfs/dbraw/zinc/30/01/55/845300155.db2.gz NYGZOJMQPXMGEE-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106984132 845301108 /nfs/dbraw/zinc/30/11/08/845301108.db2.gz ZJRPMTBZVHLMOT-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001107040482 845316878 /nfs/dbraw/zinc/31/68/78/845316878.db2.gz GCOJCEVSQUWRMA-OWCLPIDISA-N 2 0 359.536 0.445 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071602 845325841 /nfs/dbraw/zinc/32/58/41/845325841.db2.gz OMINWOPROMOYBV-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001107071740 845325963 /nfs/dbraw/zinc/32/59/63/845325963.db2.gz QLQWGFAWANHDRJ-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546934 845396344 /nfs/dbraw/zinc/39/63/44/845396344.db2.gz UCGRLMSLWDIJNY-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608444 845407207 /nfs/dbraw/zinc/40/72/07/845407207.db2.gz RQOGQMFSOVVGMT-LZLYRXPVSA-N 2 0 351.491 0.450 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633132 845412295 /nfs/dbraw/zinc/41/22/95/845412295.db2.gz LKLKPGQUNHRWJG-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107643599 845414753 /nfs/dbraw/zinc/41/47/53/845414753.db2.gz OGXSIXUYJSTHHP-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107646117 845414993 /nfs/dbraw/zinc/41/49/93/845414993.db2.gz CUDLMLNQLNHYPO-HHXXYDBFSA-N 2 0 350.507 0.953 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109635703 845701335 /nfs/dbraw/zinc/70/13/35/845701335.db2.gz OABQTUJIQDGGCR-BDXSIMOUSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109673332 845710768 /nfs/dbraw/zinc/71/07/68/845710768.db2.gz IZVHKMNZHKYWND-MQYQWHSLSA-N 2 0 367.412 0.599 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001109932178 845761862 /nfs/dbraw/zinc/76/18/62/845761862.db2.gz DPVPZTOPTBNZFL-PMPSAXMXSA-N 2 0 374.551 0.331 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001110159807 845809411 /nfs/dbraw/zinc/80/94/11/845809411.db2.gz XMOFWMKUQMINFP-NCOADZHNSA-N 2 0 350.507 0.964 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565783 845920550 /nfs/dbraw/zinc/92/05/50/845920550.db2.gz NHDWUHXTNDHIBR-TWMKSMIVSA-N 2 0 353.507 0.980 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110658041 845943477 /nfs/dbraw/zinc/94/34/77/845943477.db2.gz KBMNZXHGIWOBOO-MLHJIOFPSA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)C12CCC[NH+](CCC1)C2 ZINC001110709555 845953822 /nfs/dbraw/zinc/95/38/22/845953822.db2.gz CTFHFFHPKGVBBF-ZACQAIPSSA-N 2 0 351.491 0.593 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F ZINC001111277566 846076520 /nfs/dbraw/zinc/07/65/20/846076520.db2.gz XVDRPMMEHXIDFG-SYQHCUMBSA-N 2 0 367.412 0.599 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870834 846240711 /nfs/dbraw/zinc/24/07/11/846240711.db2.gz PIWOVEFGOMPWFR-LNLFQRSKSA-N 2 0 353.507 0.962 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915208 846260068 /nfs/dbraw/zinc/26/00/68/846260068.db2.gz RXSSNJZOSJAAKY-LNLFQRSKSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939609 846270649 /nfs/dbraw/zinc/27/06/49/846270649.db2.gz JAMUMMJYTPSMRH-GJYPPUQNSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004645 846290194 /nfs/dbraw/zinc/29/01/94/846290194.db2.gz KWFXMJFZUTXUFH-SCTDSRPQSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112211966 846469078 /nfs/dbraw/zinc/46/90/78/846469078.db2.gz GFAANGRWDGMBOZ-YNEHKIRRSA-N 2 0 366.428 0.782 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112285048 846487969 /nfs/dbraw/zinc/48/79/69/846487969.db2.gz JZGPAYNOCWSQLS-ZOBUZTSGSA-N 2 0 357.520 0.344 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112396844 846500918 /nfs/dbraw/zinc/50/09/18/846500918.db2.gz GYUQPEQDOVLOSS-FCEWJHQRSA-N 2 0 350.507 0.953 20 0 FCADRP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2)C(N)=O ZINC001112401623 846500942 /nfs/dbraw/zinc/50/09/42/846500942.db2.gz OUGHHSGICMOGQO-GMBSWORKSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001112413325 846501943 /nfs/dbraw/zinc/50/19/43/846501943.db2.gz IZERDPDAVFIMRQ-LNLFQRSKSA-N 2 0 355.523 0.800 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001112425305 846502937 /nfs/dbraw/zinc/50/29/37/846502937.db2.gz HGZVVLRHOFJDKB-UXLLHSPISA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112444347 846505982 /nfs/dbraw/zinc/50/59/82/846505982.db2.gz QETSFKHTBYNADT-BXWFABGCSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112519006 846512278 /nfs/dbraw/zinc/51/22/78/846512278.db2.gz NNHTWPMKLQJWOM-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566147 846526275 /nfs/dbraw/zinc/52/62/75/846526275.db2.gz MRUCEXRUKGFFJC-SCTDSRPQSA-N 2 0 355.523 0.944 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112568061 846526343 /nfs/dbraw/zinc/52/63/43/846526343.db2.gz VSQQWZUHAYEDIL-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)C(=O)N(C)C ZINC001112578931 846529139 /nfs/dbraw/zinc/52/91/39/846529139.db2.gz OAMHSUIMLFJSMM-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)C(=O)N(C)C ZINC001112578932 846529287 /nfs/dbraw/zinc/52/92/87/846529287.db2.gz OAMHSUIMLFJSMM-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117091422 846884059 /nfs/dbraw/zinc/88/40/59/846884059.db2.gz FPKIPWAODOQKKJ-JKSUJKDBSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001117972304 847236048 /nfs/dbraw/zinc/23/60/48/847236048.db2.gz SHADIKBDVSRDKE-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001118118248 847287945 /nfs/dbraw/zinc/28/79/45/847287945.db2.gz DIMQBFCVPICMLI-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001118149324 847297215 /nfs/dbraw/zinc/29/72/15/847297215.db2.gz CWGQYCSLYMRTFP-WMZOPIPTSA-N 2 0 351.491 0.940 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001118195605 847319341 /nfs/dbraw/zinc/31/93/41/847319341.db2.gz OTLBLUOJGBLIQD-UHFFFAOYSA-N 2 0 350.467 0.352 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCCCC1 ZINC001118267138 847354693 /nfs/dbraw/zinc/35/46/93/847354693.db2.gz VZXOTJNEIYMKPB-GJYPPUQNSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119483076 847858679 /nfs/dbraw/zinc/85/86/79/847858679.db2.gz NWVUWSIBTDXDNA-DLBZAZTESA-N 2 0 353.511 0.306 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001120670773 848268622 /nfs/dbraw/zinc/26/86/22/848268622.db2.gz MLLVMKOPUYOINT-JKSUJKDBSA-N 2 0 351.495 0.372 20 0 FCADRP CC(C)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121134234 848321457 /nfs/dbraw/zinc/32/14/57/848321457.db2.gz ZRHOELNFSRTSFS-ITFIPKOWSA-N 2 0 350.507 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N(C)C)C3)CC[N@@H+]1C ZINC001121134236 848321672 /nfs/dbraw/zinc/32/16/72/848321672.db2.gz ZTMZHMVNWHEUSM-FJGTUQKNSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001121133940 848321694 /nfs/dbraw/zinc/32/16/94/848321694.db2.gz LFFGXDQNKIHXSP-WENYZVDWSA-N 2 0 371.547 0.778 20 0 FCADRP COC[C@@H](O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001277489378 861898074 /nfs/dbraw/zinc/89/80/74/861898074.db2.gz IFAFYCGLMFOTFP-IXDOHACOSA-N 2 0 353.507 0.648 20 0 FCADRP CCOC(=O)N1CSC[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001122108971 848449792 /nfs/dbraw/zinc/44/97/92/848449792.db2.gz GRLZYMYNCHRVFZ-ZDUSSCGKSA-N 2 0 365.459 0.961 20 0 FCADRP C[C@H](CNC(=O)NCCN1CCC2(C1)OCCO2)[NH+]1CCC(C)CC1 ZINC001123713223 848628751 /nfs/dbraw/zinc/62/87/51/848628751.db2.gz HVPCEEMDIDKDIN-MRXNPFEDSA-N 2 0 354.495 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1C ZINC001127644267 848730617 /nfs/dbraw/zinc/73/06/17/848730617.db2.gz XLAXWFWXFXTNQJ-UKPHBRMFSA-N 2 0 353.438 0.611 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652900 848731260 /nfs/dbraw/zinc/73/12/60/848731260.db2.gz GXAIGVDCWPTDQK-IIAWOOMASA-N 2 0 366.531 0.841 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369807 848835401 /nfs/dbraw/zinc/83/54/01/848835401.db2.gz HLDUSBGDLRYOSR-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837567 848902042 /nfs/dbraw/zinc/90/20/42/848902042.db2.gz FQYZBCQOJIYMHN-PMPSAXMXSA-N 2 0 350.467 0.139 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129837467 848902245 /nfs/dbraw/zinc/90/22/45/848902245.db2.gz DXYGFOYTIQLWRQ-PMPSAXMXSA-N 2 0 352.458 0.852 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894310 848910075 /nfs/dbraw/zinc/91/00/75/848910075.db2.gz ACXZSOQXPDGLMZ-BMFZPTHFSA-N 2 0 350.467 0.139 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991936 848926738 /nfs/dbraw/zinc/92/67/38/848926738.db2.gz DDGBKUVXPDQIMX-XHSDSOJGSA-N 2 0 352.458 0.710 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091396 848943523 /nfs/dbraw/zinc/94/35/23/848943523.db2.gz QCZFRGYPBHQBRG-ZNMIVQPWSA-N 2 0 350.442 0.464 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140362 848951492 /nfs/dbraw/zinc/95/14/92/848951492.db2.gz WZXKALZFJMNXMF-CVEARBPZSA-N 2 0 350.467 0.142 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)[NH+](C)C ZINC001130237967 848983751 /nfs/dbraw/zinc/98/37/51/848983751.db2.gz MPLRBPCHNUCEJM-AVGNSLFASA-N 2 0 356.446 0.193 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130734504 849030545 /nfs/dbraw/zinc/03/05/45/849030545.db2.gz UNWTWIDBPBXFRP-DOTOQJQBSA-N 2 0 351.495 0.681 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131020042 849071480 /nfs/dbraw/zinc/07/14/80/849071480.db2.gz JFOAXECEAQVKNW-HUUCEWRRSA-N 2 0 351.495 0.417 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316350 849095118 /nfs/dbraw/zinc/09/51/18/849095118.db2.gz FZGXHTXBZCQIBJ-OAGGEKHMSA-N 2 0 352.479 0.843 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCC)C[C@H]32)C1 ZINC001131316737 849096578 /nfs/dbraw/zinc/09/65/78/849096578.db2.gz UDLNGVSSPUEACM-OAGGEKHMSA-N 2 0 352.479 0.844 20 0 FCADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734454 849646585 /nfs/dbraw/zinc/64/65/85/849646585.db2.gz XVFGDAVZPPDLMW-BRWVUGGUSA-N 2 0 357.495 0.197 20 0 FCADRP N=C(N)N(CCCC[NH3+])C(=O)c1cc2ncc(Br)cn2n1 ZINC001150797623 849670460 /nfs/dbraw/zinc/67/04/60/849670460.db2.gz DXZCKDYRTLKXRK-UHFFFAOYSA-N 2 0 354.212 0.566 20 0 FCADRP FC(F)(F)c1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1C[NH2+]CC2 ZINC001154847525 849817720 /nfs/dbraw/zinc/81/77/20/849817720.db2.gz NJVXOUOXPNKDPY-UHFFFAOYSA-N 2 0 353.352 0.736 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001156381429 849904973 /nfs/dbraw/zinc/90/49/73/849904973.db2.gz QOCNNIVNQTWBCP-CYBMUJFWSA-N 2 0 367.519 0.712 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591049 849916382 /nfs/dbraw/zinc/91/63/82/849916382.db2.gz SAWVTHHCLYIYJC-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157309798 849962487 /nfs/dbraw/zinc/96/24/87/849962487.db2.gz LKFATKUNWIBATL-OLZOCXBDSA-N 2 0 358.483 0.041 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371062 849967231 /nfs/dbraw/zinc/96/72/31/849967231.db2.gz NOUDXFLYTZLUTD-HOTGVXAUSA-N 3 0 355.527 0.282 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157522747 849977360 /nfs/dbraw/zinc/97/73/60/849977360.db2.gz YLZDAOGYOIWHQP-SNVBAGLBSA-N 2 0 358.368 0.513 20 0 FCADRP CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157589872 849983870 /nfs/dbraw/zinc/98/38/70/849983870.db2.gz AOSUWYYFBDHJHQ-ZIAGYGMSSA-N 2 0 356.467 0.289 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626130 849984915 /nfs/dbraw/zinc/98/49/15/849984915.db2.gz AKNFRAUXMDKNAI-QGZVFWFLSA-N 3 0 350.507 0.146 20 0 FCADRP C[NH+](C)C1CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001157688484 849987584 /nfs/dbraw/zinc/98/75/84/849987584.db2.gz GBSRQCNXDDBFBF-OAHLLOKOSA-N 2 0 350.488 0.136 20 0 FCADRP COC1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157689624 849987601 /nfs/dbraw/zinc/98/76/01/849987601.db2.gz VGGBSZIUPXAPKK-GJZGRUSLSA-N 2 0 354.495 0.461 20 0 FCADRP C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157857001 850000665 /nfs/dbraw/zinc/00/06/65/850000665.db2.gz YTZZOEWEQPXBPD-VGWMRTNUSA-N 2 0 354.495 0.053 20 0 FCADRP [NH3+]CCOCCOCC(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158239262 850027670 /nfs/dbraw/zinc/02/76/70/850027670.db2.gz DEXTUJWMMIPWFR-GFCCVEGCSA-N 2 0 353.385 0.654 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250684 850029730 /nfs/dbraw/zinc/02/97/30/850029730.db2.gz WAGQZRPYJFGWHA-RYUDHWBXSA-N 2 0 362.396 0.612 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C13CC(C1)C[NH2+]3)C2 ZINC001158381039 850042129 /nfs/dbraw/zinc/04/21/29/850042129.db2.gz GWZMIZXJQJIPAP-USYNWVHXSA-N 2 0 361.364 0.282 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C13CC(C1)C[NH2+]3)C2 ZINC001158381041 850042158 /nfs/dbraw/zinc/04/21/58/850042158.db2.gz GWZMIZXJQJIPAP-ZHENIUONSA-N 2 0 361.364 0.282 20 0 FCADRP CCC[C@H]([NH3+])C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158384463 850044337 /nfs/dbraw/zinc/04/43/37/850044337.db2.gz SXQFUNDVCDYTRO-BPNCWPANSA-N 2 0 351.369 0.657 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001158403487 850048015 /nfs/dbraw/zinc/04/80/15/850048015.db2.gz IWIULBSERVJORM-MELADBBJSA-N 2 0 369.428 0.752 20 0 FCADRP CCCCn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158412133 850048215 /nfs/dbraw/zinc/04/82/15/850048215.db2.gz NUCCHFDGZWXVJE-LSDHHAIUSA-N 2 0 351.499 0.799 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422298 850048596 /nfs/dbraw/zinc/04/85/96/850048596.db2.gz JVLMLRDBNBEYLI-XUXIUFHCSA-N 2 0 374.576 0.268 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422297 850049128 /nfs/dbraw/zinc/04/91/28/850049128.db2.gz JVLMLRDBNBEYLI-XDQVBPFNSA-N 2 0 374.576 0.268 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422796 850049224 /nfs/dbraw/zinc/04/92/24/850049224.db2.gz LQUCRODGNOZFGE-LJISPDSOSA-N 2 0 352.479 0.083 20 0 FCADRP C[NH+]1CCC(N(c2nc(Cl)cc(C(N)=O)n2)C2CC[NH2+]CC2)CC1 ZINC001158575010 850060595 /nfs/dbraw/zinc/06/05/95/850060595.db2.gz GAQMZCYCEXXGRD-UHFFFAOYSA-N 2 0 352.870 0.882 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658071 850066006 /nfs/dbraw/zinc/06/60/06/850066006.db2.gz ICFGBAQDIVWNGD-JTQLQIEISA-N 2 0 352.345 0.626 20 0 FCADRP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC3)cn1 ZINC001158992252 850090530 /nfs/dbraw/zinc/09/05/30/850090530.db2.gz UHRHJIDMGNWOHZ-HIFRSBDPSA-N 2 0 367.519 0.304 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160871 850098467 /nfs/dbraw/zinc/09/84/67/850098467.db2.gz UIDIAGCQVSFRFP-HOTGVXAUSA-N 3 0 352.523 0.852 20 0 FCADRP Cc1nc(CO[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]3CCCO[C@H]23)cs1 ZINC001159508610 850120585 /nfs/dbraw/zinc/12/05/85/850120585.db2.gz ZFFMEYQXCAQCQA-JJXSEGSLSA-N 2 0 368.503 0.793 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])COC(C)(C)C)CC[C@@H]2C1 ZINC001159637546 850125956 /nfs/dbraw/zinc/12/59/56/850125956.db2.gz ZDAQFIGZZULQIB-OWCLPIDISA-N 2 0 357.495 0.325 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])NC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001159780377 850136274 /nfs/dbraw/zinc/13/62/74/850136274.db2.gz ZEYBSQNYRPWZDX-JTQLQIEISA-N 2 0 350.801 0.629 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930449 850146568 /nfs/dbraw/zinc/14/65/68/850146568.db2.gz UJPFJIRWTSDPMM-OKZBNKHCSA-N 3 0 353.555 0.719 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](C[C@@H](O)COC)CC2)CC[N@@H+]1C ZINC001160168946 850156681 /nfs/dbraw/zinc/15/66/81/850156681.db2.gz DRGNYRSTSZICFB-FGTMMUONSA-N 2 0 353.507 0.862 20 0 FCADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]2C1 ZINC001160295792 850163862 /nfs/dbraw/zinc/16/38/62/850163862.db2.gz RDRZXOHDGQMSAI-CAOSSQGBSA-N 2 0 354.495 0.363 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001160390504 850170310 /nfs/dbraw/zinc/17/03/10/850170310.db2.gz BWGPGYVKUKPTFR-GJZGRUSLSA-N 2 0 354.470 0.479 20 0 FCADRP COCCN(C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC001160441732 850173747 /nfs/dbraw/zinc/17/37/47/850173747.db2.gz WZQCUMSOSCMVJX-WMZOPIPTSA-N 2 0 352.523 0.630 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160610399 850185156 /nfs/dbraw/zinc/18/51/56/850185156.db2.gz BWEFRIBEQWHFLT-HOCLYGCPSA-N 2 0 353.488 0.908 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2ccc(Br)cc2)CCO1 ZINC001160644203 850186835 /nfs/dbraw/zinc/18/68/35/850186835.db2.gz WXNGVRLUZCWRLK-ZNMIVQPWSA-N 2 0 368.275 0.938 20 0 FCADRP COc1ccc(CN(C)C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(OC)c1 ZINC001160675631 850191110 /nfs/dbraw/zinc/19/11/10/850191110.db2.gz HZTWJILQWJKODC-INIZCTEOSA-N 2 0 350.463 0.413 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CC(F)(F)C1 ZINC001160967196 850215132 /nfs/dbraw/zinc/21/51/32/850215132.db2.gz KNGXJWCUVPRZLY-BFCNOCSMSA-N 2 0 350.369 0.291 20 0 FCADRP Cc1cnc(-n2cc(Br)ccc2=NCC[NH3+])nc1C1C[NH2+]C1 ZINC001160978180 850217550 /nfs/dbraw/zinc/21/75/50/850217550.db2.gz YWPLNDOOUNZVIP-UHFFFAOYSA-N 2 0 363.263 0.884 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006438 850220370 /nfs/dbraw/zinc/22/03/70/850220370.db2.gz DKCQKBAFSGUKBU-KBPBESRZSA-N 2 0 355.479 0.541 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001161029791 850224363 /nfs/dbraw/zinc/22/43/63/850224363.db2.gz RJOQJQFXOIYMHA-DLBZAZTESA-N 2 0 366.893 0.990 20 0 FCADRP [NH3+]CCCNCC(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152283 850233902 /nfs/dbraw/zinc/23/39/02/850233902.db2.gz FOXBRQIEYYQQJY-UHFFFAOYSA-N 2 0 360.384 0.519 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC001161158423 850235816 /nfs/dbraw/zinc/23/58/16/850235816.db2.gz HFWJJONUYRVPJP-UHFFFAOYSA-N 2 0 354.476 0.964 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001161174890 850236392 /nfs/dbraw/zinc/23/63/92/850236392.db2.gz FYESQYWCBKKXON-APWZRJJASA-N 2 0 353.507 0.840 20 0 FCADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001161174928 850236985 /nfs/dbraw/zinc/23/69/85/850236985.db2.gz HAXHLQYGBOXMLE-XHSDSOJGSA-N 2 0 369.531 0.201 20 0 FCADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C[C@H]2C1 ZINC001161175460 850237718 /nfs/dbraw/zinc/23/77/18/850237718.db2.gz MFJYCBOISBEUMU-YJNKXOJESA-N 2 0 352.479 0.097 20 0 FCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196198 850238708 /nfs/dbraw/zinc/23/87/08/850238708.db2.gz ANGAOTYGJOMZTB-KURKYZTESA-N 2 0 350.507 0.287 20 0 FCADRP [NH3+][C@H](CC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C1CC1 ZINC001161197496 850239261 /nfs/dbraw/zinc/23/92/61/850239261.db2.gz AURDITXNMFTNSV-GOSISDBHSA-N 2 0 352.523 0.664 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@H]2CC[NH2+]C[C@H]2F)C2CC[NH2+]CC2)n1 ZINC001161308750 850250179 /nfs/dbraw/zinc/25/01/79/850250179.db2.gz GOZYEKZSCGUHNI-UONOGXRCSA-N 2 0 351.426 0.826 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161447716 850259876 /nfs/dbraw/zinc/25/98/76/850259876.db2.gz YMGFTBDEWJXODM-SCTDSRPQSA-N 3 0 352.523 0.677 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])Cc1cccs1)CC2 ZINC001161481060 850262045 /nfs/dbraw/zinc/26/20/45/850262045.db2.gz WETZLSIBJXQGBX-JDFRZJQESA-N 2 0 351.472 0.762 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001161884265 850288335 /nfs/dbraw/zinc/28/83/35/850288335.db2.gz MTYOFIVSGDHUJI-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP COc1ccc(CN2CC[NH+](C)CC2)cc1N(CC[NH3+])S(C)(=O)=O ZINC001162135149 850299112 /nfs/dbraw/zinc/29/91/12/850299112.db2.gz WNIIYNUXEIEGSQ-UHFFFAOYSA-N 2 0 356.492 0.167 20 0 FCADRP CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]2)CC1 ZINC001162391572 850312478 /nfs/dbraw/zinc/31/24/78/850312478.db2.gz BZEMKWDKPAQBFP-UONOGXRCSA-N 2 0 353.492 0.845 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001162481752 850320397 /nfs/dbraw/zinc/32/03/97/850320397.db2.gz WGMCLOKARAAMGI-WFASDCNBSA-N 2 0 356.467 0.829 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(COCCOC)C2=O)C1 ZINC001277833055 862120970 /nfs/dbraw/zinc/12/09/70/862120970.db2.gz ASWNOJNWXOOTAR-SJLPKXTDSA-N 2 0 357.495 0.234 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(C3COC3)C2=O)CC1 ZINC001277833391 862121040 /nfs/dbraw/zinc/12/10/40/862121040.db2.gz DFKUFCKVLDOEGB-PKOBYXMFSA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001164576206 850417590 /nfs/dbraw/zinc/41/75/90/850417590.db2.gz PBLIMWCZNZDSEG-HUUCEWRRSA-N 2 0 359.536 0.637 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(C[NH3+])ncn1)C2 ZINC001165372616 850438366 /nfs/dbraw/zinc/43/83/66/850438366.db2.gz IQZCBIPMHMAJQZ-UONOGXRCSA-N 2 0 359.352 0.457 20 0 FCADRP C[NH+](C)C1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001168319004 850581229 /nfs/dbraw/zinc/58/12/29/850581229.db2.gz KVKHUMUDOIHOQZ-WMUVLYSMSA-N 2 0 359.536 0.888 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)C[C@H]2C1 ZINC001168323457 850582422 /nfs/dbraw/zinc/58/24/22/850582422.db2.gz ZQUNERJCLYABRU-XNIRIUNOSA-N 2 0 358.552 0.919 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C1CC[NH+](CC2CC2)CC1 ZINC001168378964 850585292 /nfs/dbraw/zinc/58/52/92/850585292.db2.gz ZFLMWCQQTUEECJ-UHFFFAOYSA-N 2 0 368.503 0.956 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])C1 ZINC001170523527 850657000 /nfs/dbraw/zinc/65/70/00/850657000.db2.gz GDTWJVUDJBQJQX-KGLIPLIRSA-N 2 0 354.447 0.924 20 0 FCADRP CCOC(=O)CN(CC[NH3+])c1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001170991651 850673037 /nfs/dbraw/zinc/67/30/37/850673037.db2.gz CZIBROZPBLDBHO-UHFFFAOYSA-N 2 0 350.467 0.288 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC001171249417 850681076 /nfs/dbraw/zinc/68/10/76/850681076.db2.gz MRVOBCGVNKNKDT-UHFFFAOYSA-N 2 0 355.527 0.023 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCOCCOCCC[NH3+])C[C@@H]1C(=O)OC ZINC001173564758 850726834 /nfs/dbraw/zinc/72/68/34/850726834.db2.gz LIBSTZGFQDADQE-QDMKHBRRSA-N 2 0 360.451 0.089 20 0 FCADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001178188216 850888259 /nfs/dbraw/zinc/88/82/59/850888259.db2.gz PWTPLAOZJVDNDN-INIZCTEOSA-N 2 0 355.504 0.998 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001182692119 851192497 /nfs/dbraw/zinc/19/24/97/851192497.db2.gz DGGQBMLENRTNQQ-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(CC)C3CC3)C2)CC[N@@H+]1C ZINC001182693588 851192602 /nfs/dbraw/zinc/19/26/02/851192602.db2.gz XVRBFKHCTSFDQA-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001182693041 851192715 /nfs/dbraw/zinc/19/27/15/851192715.db2.gz QUJQFXDPNPIMIY-FRRDWIJNSA-N 2 0 366.491 0.397 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001182692128 851193087 /nfs/dbraw/zinc/19/30/87/851193087.db2.gz DTRICXSWZFYCLZ-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183859803 851273881 /nfs/dbraw/zinc/27/38/81/851273881.db2.gz GMMFJTRULBYCTH-GFCCVEGCSA-N 2 0 357.455 0.473 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250464 851345095 /nfs/dbraw/zinc/34/50/95/851345095.db2.gz GREYRHZUYDHGNX-JKSUJKDBSA-N 2 0 352.523 0.770 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001188107789 851646285 /nfs/dbraw/zinc/64/62/85/851646285.db2.gz YTMMTXMJUZOKGQ-HRCADAONSA-N 2 0 352.458 0.491 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001189055516 851746337 /nfs/dbraw/zinc/74/63/37/851746337.db2.gz XSXDIBFLHFXXKT-MELADBBJSA-N 2 0 367.412 0.411 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189478410 851794126 /nfs/dbraw/zinc/79/41/26/851794126.db2.gz SUGDVOLQOPADTB-DLBZAZTESA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544711 851799869 /nfs/dbraw/zinc/79/98/69/851799869.db2.gz SFIROCPSGJZYKM-SOLBZPMBSA-N 2 0 353.507 0.791 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189660814 851812348 /nfs/dbraw/zinc/81/23/48/851812348.db2.gz YBYAVUHSYUOBJJ-DLBZAZTESA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]21 ZINC001189811338 851827034 /nfs/dbraw/zinc/82/70/34/851827034.db2.gz YBBXFBSIJJQJAB-GOEBONIOSA-N 2 0 369.897 0.647 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001189811362 851827236 /nfs/dbraw/zinc/82/72/36/851827236.db2.gz ZDWQNJOIANBDAG-MELADBBJSA-N 2 0 367.412 0.411 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871447 851833274 /nfs/dbraw/zinc/83/32/74/851833274.db2.gz OWVQJOMITOAHIA-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001190176241 851870678 /nfs/dbraw/zinc/87/06/78/851870678.db2.gz DONCUOYAWNDTNC-RCCFBDPRSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001190176849 851870969 /nfs/dbraw/zinc/87/09/69/851870969.db2.gz IHROYPZDCSZWQA-RCCFBDPRSA-N 2 0 351.491 0.811 20 0 FCADRP CC(C)NC(=O)NCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238326 851882036 /nfs/dbraw/zinc/88/20/36/851882036.db2.gz LGEOYFYKGOZHED-BZUAXINKSA-N 2 0 353.511 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001193086416 852351934 /nfs/dbraw/zinc/35/19/34/852351934.db2.gz YXTPWLOTEHGSNY-BSDSXHPESA-N 2 0 355.523 0.941 20 0 FCADRP CCOC(=O)[C@H](CCSC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001193215027 852387939 /nfs/dbraw/zinc/38/79/39/852387939.db2.gz WLKYBVFEXBMXSY-AWEZNQCLSA-N 2 0 362.540 0.806 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001193756983 852483422 /nfs/dbraw/zinc/48/34/22/852483422.db2.gz WVBVQRCNMQRVLG-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1)OC ZINC001194290246 852573199 /nfs/dbraw/zinc/57/31/99/852573199.db2.gz SHZGAXWXCGSGFO-BRWVUGGUSA-N 2 0 350.463 0.494 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194299672 852575301 /nfs/dbraw/zinc/57/53/01/852575301.db2.gz UWSXFCYFUOZAQE-IAGOWNOFSA-N 2 0 350.463 0.494 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)CCCC1 ZINC001195005670 852691158 /nfs/dbraw/zinc/69/11/58/852691158.db2.gz AHUFKNOGIUVNOQ-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1)C1CCCC1 ZINC001195149629 852715179 /nfs/dbraw/zinc/71/51/79/852715179.db2.gz VMMKKJCGDWUEGV-BRWVUGGUSA-N 2 0 350.463 0.640 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195594945 852793636 /nfs/dbraw/zinc/79/36/36/852793636.db2.gz WSWUPIWQQNILDT-WNRNVDISSA-N 2 0 355.523 0.941 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176332 852905097 /nfs/dbraw/zinc/90/50/97/852905097.db2.gz LOVUTDNIAOSSTB-RKVPGOIHSA-N 2 0 359.486 0.787 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208054 852915989 /nfs/dbraw/zinc/91/59/89/852915989.db2.gz XUWFAELLRPCBEP-ZACQAIPSSA-N 2 0 355.523 0.941 20 0 FCADRP Cc1ncsc1CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319512 853097708 /nfs/dbraw/zinc/09/77/08/853097708.db2.gz KZLPRPZTWRBVTP-HUUCEWRRSA-N 2 0 368.503 0.224 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320063 853098922 /nfs/dbraw/zinc/09/89/22/853098922.db2.gz UVCDFCKNHWEZPM-IAGOWNOFSA-N 2 0 357.495 0.074 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)CC1 ZINC001197320079 853099253 /nfs/dbraw/zinc/09/92/53/853099253.db2.gz VEOSFVABIIUTHK-IAGOWNOFSA-N 2 0 353.507 0.695 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197536460 853127906 /nfs/dbraw/zinc/12/79/06/853127906.db2.gz UUMNRTAPRXEOKE-IAGOWNOFSA-N 2 0 351.495 0.776 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197645091 853143614 /nfs/dbraw/zinc/14/36/14/853143614.db2.gz YTTYECPXQQXODS-QZTJIDSGSA-N 2 0 353.507 0.695 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001199057437 853361289 /nfs/dbraw/zinc/36/12/89/853361289.db2.gz JSWDCJTZGWJSMT-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057446 853361383 /nfs/dbraw/zinc/36/13/83/853361383.db2.gz JVQASMIECAQLDV-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CCCCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001200449889 853498616 /nfs/dbraw/zinc/49/86/16/853498616.db2.gz NVIXPMIWBDTRJT-UHFFFAOYSA-N 2 0 369.579 0.831 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200637580 853505959 /nfs/dbraw/zinc/50/59/59/853505959.db2.gz YYIIYPBDCCUCBO-GDBMZVCRSA-N 2 0 353.511 0.615 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001205334089 853604038 /nfs/dbraw/zinc/60/40/38/853604038.db2.gz BFTMWOABFRHHJN-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205516528 853619207 /nfs/dbraw/zinc/61/92/07/853619207.db2.gz ISALHNMLMZDQEI-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545334 853822513 /nfs/dbraw/zinc/82/25/13/853822513.db2.gz PSNJMSJDIMNWSF-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208071310 853891356 /nfs/dbraw/zinc/89/13/56/853891356.db2.gz ZRWCGHCZQSJGFF-BZUAXINKSA-N 2 0 353.511 0.615 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001208073628 853891876 /nfs/dbraw/zinc/89/18/76/853891876.db2.gz MVPZNCOKLVRPMS-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001208073629 853891891 /nfs/dbraw/zinc/89/18/91/853891891.db2.gz MVPZNCOKLVRPMS-YESZJQIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445207 853935790 /nfs/dbraw/zinc/93/57/90/853935790.db2.gz WAYFBGNORJEYEM-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485833 853940603 /nfs/dbraw/zinc/94/06/03/853940603.db2.gz SYGWWCDLPUYNTH-BPQIPLTHSA-N 2 0 355.523 0.798 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040391 854073180 /nfs/dbraw/zinc/07/31/80/854073180.db2.gz GEPCTUNHVQADNQ-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210298194 854097404 /nfs/dbraw/zinc/09/74/04/854097404.db2.gz LXOJMCHBPXKEQA-OAGGEKHMSA-N 2 0 354.495 0.010 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210322040 854100647 /nfs/dbraw/zinc/10/06/47/854100647.db2.gz OSBZFPAQZQTAIB-UKRRQHHQSA-N 2 0 370.519 0.233 20 0 FCADRP O[C@@H]1C[NH2+]CCN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001210398245 854104971 /nfs/dbraw/zinc/10/49/71/854104971.db2.gz CFEFWZNOCSONOK-OAHLLOKOSA-N 2 0 369.307 0.625 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369885 854182892 /nfs/dbraw/zinc/18/28/92/854182892.db2.gz SDGNXKYUGWSODF-HZSPNIEDSA-N 2 0 369.428 0.703 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221739 854539901 /nfs/dbraw/zinc/53/99/01/854539901.db2.gz OSABMNOHJJCLBF-BZUAXINKSA-N 2 0 357.495 0.074 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434800 854614614 /nfs/dbraw/zinc/61/46/14/854614614.db2.gz LPPGYNBPZXKGFV-BRWVUGGUSA-N 2 0 351.495 0.819 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576321 854671785 /nfs/dbraw/zinc/67/17/85/854671785.db2.gz KDNQKZUWUBKEDJ-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638170 854694289 /nfs/dbraw/zinc/69/42/89/854694289.db2.gz BTXMCTAMRIDAOH-NANBGGJNSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730831 854740260 /nfs/dbraw/zinc/74/02/60/854740260.db2.gz ZCNKMBYJMICJJB-IAGOWNOFSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1OC ZINC001213759401 854754823 /nfs/dbraw/zinc/75/48/23/854754823.db2.gz JTHIOSCMRCSNEV-CHWSQXEVSA-N 2 0 355.401 0.723 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929818 854831367 /nfs/dbraw/zinc/83/13/67/854831367.db2.gz MFOBQIPHUBWCKG-GVDBMIGSSA-N 2 0 357.495 0.338 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929920 854831404 /nfs/dbraw/zinc/83/14/04/854831404.db2.gz RWHJRBSITXLPBZ-BRWVUGGUSA-N 2 0 357.495 0.338 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)OC ZINC001214655400 854987065 /nfs/dbraw/zinc/98/70/65/854987065.db2.gz JFFRCKQSKCXBCR-HLLBOEOZSA-N 2 0 351.495 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214780315 855011925 /nfs/dbraw/zinc/01/19/25/855011925.db2.gz UYWBSOVAVOVDGV-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214855742 855023517 /nfs/dbraw/zinc/02/35/17/855023517.db2.gz MLCFFUCVNVGHRX-UNEWFSDZSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214860962 855024354 /nfs/dbraw/zinc/02/43/54/855024354.db2.gz CFVKEUMDJHSLKB-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214997637 855049204 /nfs/dbraw/zinc/04/92/04/855049204.db2.gz KNNWVSLIYRLVPU-GDBMZVCRSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215056730 855059267 /nfs/dbraw/zinc/05/92/67/855059267.db2.gz DYKKUDKZVFPYFA-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215299019 855098021 /nfs/dbraw/zinc/09/80/21/855098021.db2.gz RUKDOWCJZKCYLO-HUUCEWRRSA-N 2 0 359.536 0.732 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215407768 855111570 /nfs/dbraw/zinc/11/15/70/855111570.db2.gz QPCBVRUFNDUJDZ-UKRRQHHQSA-N 2 0 350.463 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001215413347 855112165 /nfs/dbraw/zinc/11/21/65/855112165.db2.gz CFUVIGJADHCIRQ-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)s1 ZINC001215422061 855113176 /nfs/dbraw/zinc/11/31/76/855113176.db2.gz VYOFKHGVGMJWGB-DGCLKSJQSA-N 2 0 368.507 0.563 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001215460805 855118036 /nfs/dbraw/zinc/11/80/36/855118036.db2.gz GQYIYAAHBLQBJP-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C)C1CC1 ZINC001215540321 855126652 /nfs/dbraw/zinc/12/66/52/855126652.db2.gz LUQBSVVVZNQWNP-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215550565 855127692 /nfs/dbraw/zinc/12/76/92/855127692.db2.gz AYWKYCMJXQPAMN-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551625 855128159 /nfs/dbraw/zinc/12/81/59/855128159.db2.gz UZXMEBMUDHDSMB-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215567633 855128977 /nfs/dbraw/zinc/12/89/77/855128977.db2.gz BAOTWPZPNRWOMN-HUUCEWRRSA-N 2 0 361.552 0.836 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327197 855192663 /nfs/dbraw/zinc/19/26/63/855192663.db2.gz NOGYXSJKOZFHQO-JKIFEVAISA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216383178 855196940 /nfs/dbraw/zinc/19/69/40/855196940.db2.gz IPAQAJOIHVSVNQ-JHJVBQTASA-N 2 0 366.491 0.255 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216384066 855197683 /nfs/dbraw/zinc/19/76/83/855197683.db2.gz WPSUWNFSGCWUDB-HZSPNIEDSA-N 2 0 365.503 0.860 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001216410237 855200329 /nfs/dbraw/zinc/20/03/29/855200329.db2.gz WDPUATUMQXNANZ-IXDOHACOSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCC2)C1 ZINC001216758207 855234064 /nfs/dbraw/zinc/23/40/64/855234064.db2.gz ZSUPYOPBSALZJD-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217923322 855383892 /nfs/dbraw/zinc/38/38/92/855383892.db2.gz LRPDDTUPDJRKAS-OKZBNKHCSA-N 2 0 351.491 0.665 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001217988418 855389245 /nfs/dbraw/zinc/38/92/45/855389245.db2.gz OIMSTTGKSALWFB-WDEREUQCSA-N 2 0 352.435 0.528 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1 ZINC001218249852 855409606 /nfs/dbraw/zinc/40/96/06/855409606.db2.gz ZYFMIDGABXMQOW-AXFHLTTASA-N 2 0 350.419 0.280 20 0 FCADRP CSc1nnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(SC)n1 ZINC001218521920 855433489 /nfs/dbraw/zinc/43/34/89/855433489.db2.gz CKSIFJLONQLCJT-VIFPVBQESA-N 2 0 357.509 0.004 20 0 FCADRP Cc1cc(F)ncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218548220 855437491 /nfs/dbraw/zinc/43/74/91/855437491.db2.gz FPRJBOBHYBBJIU-JSGCOSHPSA-N 2 0 351.426 0.915 20 0 FCADRP O=C(Nc1nc(Br)cn2ccnc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563351 855439114 /nfs/dbraw/zinc/43/91/14/855439114.db2.gz KUZXCDMATKVSNL-MRVPVSSYSA-N 2 0 351.208 0.239 20 0 FCADRP Nc1c(F)cnc(Br)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218570400 855441469 /nfs/dbraw/zinc/44/14/69/855441469.db2.gz CIDGWMMOWXKWIX-FUXBKTLASA-N 2 0 358.215 0.703 20 0 FCADRP O=C(Nc1cccn2c(Br)cnc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218566632 855441679 /nfs/dbraw/zinc/44/16/79/855441679.db2.gz FOTHXDUDUGFNFX-VIFPVBQESA-N 2 0 350.220 0.844 20 0 FCADRP CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218649194 855457155 /nfs/dbraw/zinc/45/71/55/855457155.db2.gz AUOAZFWYWLXAQX-LURJTMIESA-N 2 0 350.206 0.965 20 0 FCADRP O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218697718 855466554 /nfs/dbraw/zinc/46/65/54/855466554.db2.gz BWFAJPTTYMGODS-LBPRGKRZSA-N 2 0 351.838 0.319 20 0 FCADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710249 855468663 /nfs/dbraw/zinc/46/86/63/855468663.db2.gz DGXDRHHTPZSRCL-VXGBXAGGSA-N 2 0 368.459 0.452 20 0 FCADRP COC(=O)c1cc(Br)cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218734397 855472447 /nfs/dbraw/zinc/47/24/47/855472447.db2.gz URQNXAVTMITGHW-VIFPVBQESA-N 2 0 369.219 0.378 20 0 FCADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218893771 855492893 /nfs/dbraw/zinc/49/28/93/855492893.db2.gz HAMNBTABYJZWKG-ZDUSSCGKSA-N 2 0 356.492 0.935 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052269 855526572 /nfs/dbraw/zinc/52/65/72/855526572.db2.gz PVFWZMFWGNCVHS-FGTMMUONSA-N 2 0 353.507 0.935 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001219052391 855527691 /nfs/dbraw/zinc/52/76/91/855527691.db2.gz YHTWPTYTWUDRRE-FGTMMUONSA-N 2 0 351.491 0.811 20 0 FCADRP C[C@@]1(C(=O)N(c2cccc(F)c2N)C2CC[NH2+]CC2)CC[NH2+]C[C@@H]1O ZINC001219280215 855615346 /nfs/dbraw/zinc/61/53/46/855615346.db2.gz BHPKTCOUOSHOKL-MAUKXSAKSA-N 2 0 350.438 0.853 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280776 855615549 /nfs/dbraw/zinc/61/55/49/855615549.db2.gz LUIIEYYIJKQREF-CYBMUJFWSA-N 2 0 352.410 0.773 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288049 855617828 /nfs/dbraw/zinc/61/78/28/855617828.db2.gz HPNKVLHZOKRQHT-CYBMUJFWSA-N 2 0 352.410 0.972 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2O)n1 ZINC001219652186 855756190 /nfs/dbraw/zinc/75/61/90/855756190.db2.gz HCKMINVAYZLZJY-CVEARBPZSA-N 2 0 355.458 0.359 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219737260 855792938 /nfs/dbraw/zinc/79/29/38/855792938.db2.gz RLXZFFQYLOEHBJ-HOTGVXAUSA-N 2 0 365.499 0.750 20 0 FCADRP [NH3+]C1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CCC2(CC1)OCCO2 ZINC001219743262 855795199 /nfs/dbraw/zinc/79/51/99/855795199.db2.gz APHLQHHJGFIGJV-CQSZACIVSA-N 2 0 353.463 0.418 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219747029 855797316 /nfs/dbraw/zinc/79/73/16/855797316.db2.gz PUNHWCLUJVVXTH-CYBMUJFWSA-N 2 0 365.503 0.584 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)COC1(C)C ZINC001219825242 855832970 /nfs/dbraw/zinc/83/29/70/855832970.db2.gz FWDUVNAKPKPHHB-DLOVCJGASA-N 2 0 352.460 0.319 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219834160 855837104 /nfs/dbraw/zinc/83/71/04/855837104.db2.gz OOTHCGLZKGEJIJ-COMQUAJESA-N 2 0 365.396 0.428 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001219878028 855858843 /nfs/dbraw/zinc/85/88/43/855858843.db2.gz WNLBWLWFHBZLFP-CVEARBPZSA-N 2 0 359.486 0.646 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCC([NH3+])CC1 ZINC001220039967 855929338 /nfs/dbraw/zinc/92/93/38/855929338.db2.gz ZZCGOSOZVUAFJT-SNQIYURSSA-N 2 0 352.479 0.306 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057909 855937953 /nfs/dbraw/zinc/93/79/53/855937953.db2.gz LCDFSGQKPSAFPF-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CCCC1 ZINC001220078272 855949039 /nfs/dbraw/zinc/94/90/39/855949039.db2.gz MTHIDVGBDJSPSL-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220263586 856034023 /nfs/dbraw/zinc/03/40/23/856034023.db2.gz QCAMSFFGRJXBOD-HNNXBMFYSA-N 2 0 354.476 0.022 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])Cc2ccccc2F)CC[NH+](C)CC1 ZINC001220346150 856077717 /nfs/dbraw/zinc/07/77/17/856077717.db2.gz ZPQOXFFUBRFDFM-OAHLLOKOSA-N 2 0 351.422 0.839 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351974 856080975 /nfs/dbraw/zinc/08/09/75/856080975.db2.gz OSLRDCNJXCVMIK-MJBXVCDLSA-N 2 0 367.412 0.601 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220454554 856134095 /nfs/dbraw/zinc/13/40/95/856134095.db2.gz ZOXMEZAIHKSLDV-HOTGVXAUSA-N 2 0 356.511 0.482 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)O1 ZINC001220481752 856147584 /nfs/dbraw/zinc/14/75/84/856147584.db2.gz PXERCZASHVBVMD-MPLKPFFPSA-N 2 0 353.385 0.758 20 0 FCADRP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519380 856164337 /nfs/dbraw/zinc/16/43/37/856164337.db2.gz MIEABGRIWDQLGO-QGZVFWFLSA-N 2 0 351.491 0.962 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC001220522589 856166460 /nfs/dbraw/zinc/16/64/60/856166460.db2.gz AOOSSWFGBLAVDC-BBRMVZONSA-N 2 0 350.463 0.130 20 0 FCADRP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220569914 856190309 /nfs/dbraw/zinc/19/03/09/856190309.db2.gz UOTOHVSUUPBURE-QGZVFWFLSA-N 2 0 355.479 0.902 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)c1ccc(Br)cc1 ZINC001220607051 856202576 /nfs/dbraw/zinc/20/25/76/856202576.db2.gz HKGCFSPQIOYZBX-WHOFXGATSA-N 2 0 353.264 0.517 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607301 856204175 /nfs/dbraw/zinc/20/41/75/856204175.db2.gz JGTIKTXIKPQFNJ-WCQYABFASA-N 2 0 367.247 0.043 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607986 856204301 /nfs/dbraw/zinc/20/43/01/856204301.db2.gz RDHOFFGTSPTXMZ-RYUDHWBXSA-N 2 0 357.252 0.548 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001220610375 856206592 /nfs/dbraw/zinc/20/65/92/856206592.db2.gz MVRSOQWPBAUYMT-UONOGXRCSA-N 3 0 355.280 0.892 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609613 856206676 /nfs/dbraw/zinc/20/66/76/856206676.db2.gz CFXLNSQZRTXTSP-MELADBBJSA-N 2 0 370.247 0.716 20 0 FCADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)C1CCC2(CC1)OCCO2 ZINC001220803175 856308282 /nfs/dbraw/zinc/30/82/82/856308282.db2.gz CKYAHQUXAYCHRX-AGIUHOORSA-N 2 0 365.396 0.904 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220816829 856319546 /nfs/dbraw/zinc/31/95/46/856319546.db2.gz CRZOCNHOQIQFEX-BBWFWOEESA-N 2 0 357.495 0.075 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC001220851279 856336806 /nfs/dbraw/zinc/33/68/06/856336806.db2.gz OOLPWAILZOPIIS-KBPBESRZSA-N 2 0 366.487 0.234 20 0 FCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001220898558 856363146 /nfs/dbraw/zinc/36/31/46/856363146.db2.gz NOKHUHUAQIDSPP-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc(F)c(CN2CCC(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220911706 856369844 /nfs/dbraw/zinc/36/98/44/856369844.db2.gz UEHUZMCQVBDLHP-KRWDZBQOSA-N 2 0 352.454 0.981 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O ZINC001220986091 856408617 /nfs/dbraw/zinc/40/86/17/856408617.db2.gz RQPZBJHAZCMGLH-UAGQMJEPSA-N 2 0 367.515 0.420 20 0 FCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221148694 856484854 /nfs/dbraw/zinc/48/48/54/856484854.db2.gz LISQEUGHSKTMTO-CZUORRHYSA-N 2 0 366.487 0.321 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148631 856484942 /nfs/dbraw/zinc/48/49/42/856484942.db2.gz IZWNKULBABEOFS-CJNGLKHVSA-N 2 0 366.487 0.321 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279307607 862821705 /nfs/dbraw/zinc/82/17/05/862821705.db2.gz BJYGGOYNFUEQHG-QGZVFWFLSA-N 2 0 351.451 0.116 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221777094 856678842 /nfs/dbraw/zinc/67/88/42/856678842.db2.gz QWXCPHGYNLUMSE-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001222017916 856768800 /nfs/dbraw/zinc/76/88/00/856768800.db2.gz CEKOEPCYICAWQN-FGTMMUONSA-N 2 0 351.491 0.811 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001222051349 856785525 /nfs/dbraw/zinc/78/55/25/856785525.db2.gz VRONBLAWTGQTKW-IAGOWNOFSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223416399 856915061 /nfs/dbraw/zinc/91/50/61/856915061.db2.gz WFNHAFUYFLXFDO-WBVHZDCISA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)CS(C)(=O)=O ZINC001223425087 856915189 /nfs/dbraw/zinc/91/51/89/856915189.db2.gz LPRYVVZAVGGGMS-OAGGEKHMSA-N 2 0 359.536 0.542 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC001223430845 856916548 /nfs/dbraw/zinc/91/65/48/856916548.db2.gz QOWGGNGMABQVCR-BBWFWOEESA-N 2 0 371.547 0.686 20 0 FCADRP C[C@@H](COCC(=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223534237 856924451 /nfs/dbraw/zinc/92/44/51/856924451.db2.gz IMDPWUCYCZMUGZ-KSZLIROESA-N 2 0 353.507 0.793 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC[C@H]3CCOC3)[C@H]2C1 ZINC001223916249 856951056 /nfs/dbraw/zinc/95/10/56/856951056.db2.gz CPDXDTXQRZLIED-KSZLIROESA-N 2 0 353.507 0.914 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001224233070 856970402 /nfs/dbraw/zinc/97/04/02/856970402.db2.gz HUPUISAWBUMUQL-KURKYZTESA-N 2 0 353.507 0.793 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001225347045 857035905 /nfs/dbraw/zinc/03/59/05/857035905.db2.gz VIKJHSMJXGNWNJ-JHJVBQTASA-N 2 0 366.491 0.588 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225347036 857036258 /nfs/dbraw/zinc/03/62/58/857036258.db2.gz VFNWVUVLMFWCFV-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226162284 857086727 /nfs/dbraw/zinc/08/67/27/857086727.db2.gz YXTJYKPLBVYYDN-MCIONIFRSA-N 2 0 353.467 0.071 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001226801485 857126673 /nfs/dbraw/zinc/12/66/73/857126673.db2.gz YMVQTKPKQLIIJW-JFIYKMOQSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001226831964 857127563 /nfs/dbraw/zinc/12/75/63/857127563.db2.gz WODOYCUNKLOXEG-USXIJHARSA-N 2 0 371.547 0.922 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001226922987 857132096 /nfs/dbraw/zinc/13/20/96/857132096.db2.gz XPSZBVBGORGGKM-KFWWJZLASA-N 2 0 362.540 0.139 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001227150634 857147059 /nfs/dbraw/zinc/14/70/59/857147059.db2.gz WWBQFJAFOAGRHI-JHJVBQTASA-N 2 0 355.483 0.317 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001228255035 857198502 /nfs/dbraw/zinc/19/85/02/857198502.db2.gz NIXWHWIJYRGRAA-HUUCEWRRSA-N 2 0 352.479 0.494 20 0 FCADRP CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355985 857205313 /nfs/dbraw/zinc/20/53/13/857205313.db2.gz YCZAXCGUJZPKDI-CHWSQXEVSA-N 2 0 366.428 0.976 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001228593419 857217234 /nfs/dbraw/zinc/21/72/34/857217234.db2.gz BXQLLUHDBJXRKD-ARFHVFGLSA-N 2 0 359.536 0.922 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229504250 857272520 /nfs/dbraw/zinc/27/25/20/857272520.db2.gz SDWYZGNBUYKVES-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229716314 857283518 /nfs/dbraw/zinc/28/35/18/857283518.db2.gz GWVRCCUOSWCLMY-HZPDHXFCSA-N 2 0 356.511 0.354 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138022 857305729 /nfs/dbraw/zinc/30/57/29/857305729.db2.gz CFGALLJJNXVTMD-BZUAXINKSA-N 2 0 354.495 0.108 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138894 857306662 /nfs/dbraw/zinc/30/66/62/857306662.db2.gz VMRJLPJQDHCXKT-GVDBMIGSSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)CS(C)(=O)=O ZINC001230147705 857308371 /nfs/dbraw/zinc/30/83/71/857308371.db2.gz MSBZDRSYAASALV-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266503 857319508 /nfs/dbraw/zinc/31/95/08/857319508.db2.gz LDTWGZQMZAWCNT-HZPDHXFCSA-N 2 0 359.536 0.924 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279467133 862897311 /nfs/dbraw/zinc/89/73/11/862897311.db2.gz IQKCSQOKRDSPMN-BRWVUGGUSA-N 2 0 350.507 0.239 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001230284654 857322784 /nfs/dbraw/zinc/32/27/84/857322784.db2.gz PJCDHKQCUSGQCH-HZPDHXFCSA-N 2 0 354.495 0.202 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284543 857322863 /nfs/dbraw/zinc/32/28/63/857322863.db2.gz KBNZDSWJPXOSMW-GVDBMIGSSA-N 2 0 359.511 0.368 20 0 FCADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235231153 857419840 /nfs/dbraw/zinc/41/98/40/857419840.db2.gz ONLUAPOPHOSBTC-HOCLYGCPSA-N 2 0 356.392 0.959 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC[C@H]1C[NH2+]CCO1)C2 ZINC001235274564 857420731 /nfs/dbraw/zinc/42/07/31/857420731.db2.gz OEGMAQBEPTYLLO-NWANDNLSSA-N 2 0 365.396 0.382 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@@H]1CNCCO1)C2 ZINC001235326347 857422210 /nfs/dbraw/zinc/42/22/10/857422210.db2.gz WNOMHCJHCOKOQO-TXPKVOOTSA-N 2 0 351.491 0.620 20 0 FCADRP Oc1ccc(Br)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235869369 857432747 /nfs/dbraw/zinc/43/27/47/857432747.db2.gz BNKAYWNMXKYGOG-UHFFFAOYSA-N 2 0 357.296 0.739 20 0 FCADRP COc1cc(Br)cnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871544 857433634 /nfs/dbraw/zinc/43/36/34/857433634.db2.gz SUUJEEKWWYJUMY-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP Cn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c2c1ccnc2Cl ZINC001235875685 857434695 /nfs/dbraw/zinc/43/46/95/857434695.db2.gz SQKMWTYGRVQLHU-UHFFFAOYSA-N 2 0 350.898 0.811 20 0 FCADRP CCOC(=O)[C@]12CN(Cc3nc4c(s3)C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001236042155 857435779 /nfs/dbraw/zinc/43/57/79/857435779.db2.gz ZFMKWIHLDVKWMP-SJKOYZFVSA-N 2 0 350.488 0.763 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(OC)c1O ZINC001236308806 857438101 /nfs/dbraw/zinc/43/81/01/857438101.db2.gz HIARJMBSMQBJKF-UHFFFAOYSA-N 2 0 354.451 0.025 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Cl)c1OC ZINC001236309494 857438108 /nfs/dbraw/zinc/43/81/08/857438108.db2.gz OUBVDKLDLSNJAZ-UHFFFAOYSA-N 2 0 372.897 0.973 20 0 FCADRP COC(=O)c1cc(Cl)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236312498 857439856 /nfs/dbraw/zinc/43/98/56/857439856.db2.gz WHAYJIPQWMXFKI-UHFFFAOYSA-N 2 0 370.881 0.742 20 0 FCADRP COc1cc(Cl)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1 ZINC001236312566 857439865 /nfs/dbraw/zinc/43/98/65/857439865.db2.gz UQMGFFDFDCUURN-UHFFFAOYSA-N 2 0 372.897 0.973 20 0 FCADRP CCOC(=O)[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCC12C[NH2+]C2 ZINC001237430656 857452931 /nfs/dbraw/zinc/45/29/31/857452931.db2.gz LQVXCXQJBTVRBO-LBPRGKRZSA-N 2 0 350.488 0.763 20 0 FCADRP [NH3+]C1CCN(c2ccc(NS(=O)(=O)CC3CC[NH2+]CC3)cn2)CC1 ZINC001237554017 857453716 /nfs/dbraw/zinc/45/37/16/857453716.db2.gz YQKZNDKMYBYGNF-UHFFFAOYSA-N 2 0 353.492 0.750 20 0 FCADRP COc1cc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)ccc1F ZINC001238242798 857465031 /nfs/dbraw/zinc/46/50/31/857465031.db2.gz RFHNIDIAYKGTKC-LBPRGKRZSA-N 2 0 357.451 0.987 20 0 FCADRP COc1nc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)ccc1F ZINC001238243261 857465159 /nfs/dbraw/zinc/46/51/59/857465159.db2.gz SVKXVHDZZXJLJC-LLVKDONJSA-N 2 0 358.439 0.382 20 0 FCADRP Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239503 857465188 /nfs/dbraw/zinc/46/51/88/857465188.db2.gz COKYJQGVYIDFSF-LLVKDONJSA-N 2 0 361.899 0.534 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2nsnc2c1 ZINC001238239026 857465452 /nfs/dbraw/zinc/46/54/52/857465452.db2.gz BHNHUTPUQSGNJB-LLVKDONJSA-N 2 0 367.500 0.844 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(Br)cn1 ZINC001238879154 857485449 /nfs/dbraw/zinc/48/54/49/857485449.db2.gz INRNRZALEOATRK-UHFFFAOYSA-N 2 0 365.297 0.841 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c(Cl)c1 ZINC001238879393 857485461 /nfs/dbraw/zinc/48/54/61/857485461.db2.gz RCDNOCQXFCYQPJ-UHFFFAOYSA-N 2 0 362.883 0.905 20 0 FCADRP COC(=O)c1ccc(C)c(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001238878745 857485744 /nfs/dbraw/zinc/48/57/44/857485744.db2.gz CNBURBNAGDCGFI-UHFFFAOYSA-N 2 0 357.476 0.779 20 0 FCADRP C[N@@H+]1CCC[C@@H](CN2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501069 862917927 /nfs/dbraw/zinc/91/79/27/862917927.db2.gz BOTXHWXNASOLMY-MCIONIFRSA-N 2 0 364.412 0.985 20 0 FCADRP O=S(=O)(C1CC[NH2+]CC1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001239082599 857510754 /nfs/dbraw/zinc/51/07/54/857510754.db2.gz VVVADSVELHVIAF-UHFFFAOYSA-N 2 0 367.519 0.813 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001239097107 857512866 /nfs/dbraw/zinc/51/28/66/857512866.db2.gz PDNGYWYCQFEIRP-UHFFFAOYSA-N 2 0 358.208 0.635 20 0 FCADRP S=C(NCCCN1CCOCC1)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364439 857526475 /nfs/dbraw/zinc/52/64/75/857526475.db2.gz XYAMDNMLPDIFHU-OAHLLOKOSA-N 2 0 355.552 0.047 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)Nc1cc(F)cc(F)c1 ZINC001239453728 857530215 /nfs/dbraw/zinc/53/02/15/857530215.db2.gz XMSGPEPSOFNTCO-UHFFFAOYSA-N 2 0 359.446 0.777 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-c3cccc(OCC[NH3+])c3)n1)CC[NH2+]CC2 ZINC001244319247 857549039 /nfs/dbraw/zinc/54/90/39/857549039.db2.gz NBPRNYLNISOBNA-UHFFFAOYSA-N 2 0 362.455 0.573 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O)cc1 ZINC001246008041 857564639 /nfs/dbraw/zinc/56/46/39/857564639.db2.gz MPPBUYGGAWISHQ-RDJZCZTQSA-N 2 0 353.463 0.188 20 0 FCADRP CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020055 857564737 /nfs/dbraw/zinc/56/47/37/857564737.db2.gz HCQOGJXPFCTFHI-UAGQMJEPSA-N 2 0 350.459 0.753 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246027559 857565637 /nfs/dbraw/zinc/56/56/37/857565637.db2.gz HSQJASVNCJRLSA-DLBZAZTESA-N 3 0 354.445 0.223 20 0 FCADRP CCCOC[C@H](O)CN1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246034680 857565857 /nfs/dbraw/zinc/56/58/57/857565857.db2.gz RPGDGQYEFSNUPW-YUELXQCFSA-N 2 0 368.396 0.791 20 0 FCADRP O[C@H](CN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246029643 857565913 /nfs/dbraw/zinc/56/59/13/857565913.db2.gz RONAHRSPULVGNE-UONOGXRCSA-N 2 0 365.440 0.858 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@]1(O)CCC[NH2+]C1)C2 ZINC001246034341 857566069 /nfs/dbraw/zinc/56/60/69/857566069.db2.gz QAJLDIMWFISDLU-RRFJBIMHSA-N 2 0 365.396 0.118 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246034509 857566318 /nfs/dbraw/zinc/56/63/18/857566318.db2.gz XGFDYUUIJLTKKB-HRCADAONSA-N 2 0 357.401 0.032 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@@]1(O)CC[NH2+]C1)C2 ZINC001246031588 857566368 /nfs/dbraw/zinc/56/63/68/857566368.db2.gz CIQNLXQVTCQDMB-KFKAGJAMSA-N 3 0 351.491 0.356 20 0 FCADRP COCCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246050126 857567114 /nfs/dbraw/zinc/56/71/14/857567114.db2.gz DMYVLNNFMXWLJC-FGTMMUONSA-N 2 0 357.445 0.896 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)O3)C[C@H](C1)[NH2+]2 ZINC001246136568 857569300 /nfs/dbraw/zinc/56/93/00/857569300.db2.gz SCSKQOZEWPRHBP-ZKLCHKPXSA-N 3 0 351.491 0.949 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CCN[C@H](C(=O)OCC)C1)C1CC[NH2+]CC1 ZINC001246226715 857571165 /nfs/dbraw/zinc/57/11/65/857571165.db2.gz JCTTZVOHWXKENE-PMPSAXMXSA-N 2 0 355.479 0.581 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)NC1)C1CC[NH2+]CC1 ZINC001246230823 857571335 /nfs/dbraw/zinc/57/13/35/857571335.db2.gz SSLWYAVMOQHBHK-OWCLPIDISA-N 2 0 355.479 0.581 20 0 FCADRP O=S(=O)(c1ccccc1)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236632 857571433 /nfs/dbraw/zinc/57/14/33/857571433.db2.gz NJKMGPLDHWPRAZ-MRXNPFEDSA-N 2 0 364.515 0.523 20 0 FCADRP CC(C)[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215913 857571440 /nfs/dbraw/zinc/57/14/40/857571440.db2.gz KTPWMTCPZFBAES-ZWKOTPCHSA-N 3 0 361.527 0.378 20 0 FCADRP C[C@H]1C[C@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC001246274895 857572807 /nfs/dbraw/zinc/57/28/07/857572807.db2.gz BYERELGNXFXMED-DLBZAZTESA-N 2 0 366.531 0.723 20 0 FCADRP FC(F)(F)c1cc(N2CC[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)C2)ncn1 ZINC001246372038 857576205 /nfs/dbraw/zinc/57/62/05/857576205.db2.gz XSURPPCFGGLAEU-VXGBXAGGSA-N 2 0 356.396 0.758 20 0 FCADRP COc1cccc([C@@H](C[NH3+])N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)c1 ZINC001246511083 857583379 /nfs/dbraw/zinc/58/33/79/857583379.db2.gz OTKWZBJESRYDLG-CWRNSKLLSA-N 2 0 350.488 0.548 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246519669 857583651 /nfs/dbraw/zinc/58/36/51/857583651.db2.gz NVCCXQJLVKZAAP-PMPSAXMXSA-N 2 0 354.495 0.380 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545296 857584732 /nfs/dbraw/zinc/58/47/32/857584732.db2.gz AVVRHCVETKNILV-UKRRQHHQSA-N 2 0 352.472 0.896 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[NH2+][C@H](Cc3ccccc3)C2)C[NH2+]1)N1CCSC1 ZINC001246603782 857585835 /nfs/dbraw/zinc/58/58/35/857585835.db2.gz RXIGURQRFCVUBX-KURKYZTESA-N 2 0 360.527 0.766 20 0 FCADRP C[C@@H]1C[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CC[NH2+]1 ZINC001246698407 857590906 /nfs/dbraw/zinc/59/09/06/857590906.db2.gz VSQZSCVIZWLXMN-SYAUCNOPSA-N 2 0 355.508 0.095 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CCC(C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246797636 857601097 /nfs/dbraw/zinc/60/10/97/857601097.db2.gz UXRRWXFBINHMKL-SJORKVTESA-N 2 0 352.548 0.961 20 0 FCADRP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246824414 857602189 /nfs/dbraw/zinc/60/21/89/857602189.db2.gz XBXKBAFXLBJAPQ-FVQHAEBGSA-N 2 0 353.511 0.223 20 0 FCADRP CCOC(=O)N1CC[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)C1 ZINC001246860086 857604658 /nfs/dbraw/zinc/60/46/58/857604658.db2.gz SJAJXUKOVWCTGC-VAVSNJLASA-N 2 0 351.447 0.548 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCN[C@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859607 857604684 /nfs/dbraw/zinc/60/46/84/857604684.db2.gz PVGVHULFGOCEGZ-ULSDXFBPSA-N 2 0 361.408 1.000 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2c2cccs2)C[NH2+]1)N1CCSC1 ZINC001246883246 857605427 /nfs/dbraw/zinc/60/54/27/857605427.db2.gz DIGWHWMQYJFQCE-HZSPNIEDSA-N 2 0 352.529 0.958 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279518434 862933818 /nfs/dbraw/zinc/93/38/18/862933818.db2.gz VKVYEKWAZGPTBV-CRAIPNDOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)COCC(F)(F)C(F)F)CC2)CC1 ZINC001251576409 857731495 /nfs/dbraw/zinc/73/14/95/857731495.db2.gz ZKBOQCBRMYELST-AWEZNQCLSA-N 2 0 371.419 0.976 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253185370 857870402 /nfs/dbraw/zinc/87/04/02/857870402.db2.gz FZMAKLGQDRWKLT-VQHPVUNQSA-N 2 0 355.479 0.047 20 0 FCADRP COCC[N@@H+]1CCOC[C@@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253388277 857883840 /nfs/dbraw/zinc/88/38/40/857883840.db2.gz DXMVZLNINNXHGH-MJGOQNOKSA-N 2 0 357.539 0.796 20 0 FCADRP CN(C)C(=O)CN1CCC2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253391602 857885012 /nfs/dbraw/zinc/88/50/12/857885012.db2.gz TYGAXPRATYXCOR-MRXNPFEDSA-N 2 0 354.539 0.754 20 0 FCADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1S(N)(=O)=O ZINC001253403724 857886429 /nfs/dbraw/zinc/88/64/29/857886429.db2.gz ISYDDVJGWUFPQN-OCCSQVGLSA-N 2 0 373.519 0.612 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)N4CCOCC4)CC3)[C@H]2C1 ZINC001279594449 862972115 /nfs/dbraw/zinc/97/21/15/862972115.db2.gz XIZXVTGDKZNNPB-HOTGVXAUSA-N 2 0 350.507 0.239 20 0 FCADRP COC[C@H](C)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001255562348 858020193 /nfs/dbraw/zinc/02/01/93/858020193.db2.gz VYDNAVYXQSLZHE-JNNCMOEMSA-N 2 0 361.527 0.790 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001279609921 862977498 /nfs/dbraw/zinc/97/74/98/862977498.db2.gz ZTSVLJGQFHNOFP-KRWDZBQOSA-N 2 0 358.552 0.923 20 0 FCADRP Cn1cnc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC[NH2+]CC2)c1 ZINC001279615121 862980924 /nfs/dbraw/zinc/98/09/24/862980924.db2.gz JQWJIYXZIDDVBA-MQVJKMGUSA-N 2 0 367.519 0.693 20 0 FCADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001256329056 858068099 /nfs/dbraw/zinc/06/80/99/858068099.db2.gz OYNQECIVUBHAQF-JYJNAYRXSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326067 858068246 /nfs/dbraw/zinc/06/82/46/858068246.db2.gz IMHZPKIFLICWRN-KBPBESRZSA-N 2 0 358.483 0.803 20 0 FCADRP C[C@H](Cc1ccccn1)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001256405942 858078694 /nfs/dbraw/zinc/07/86/94/858078694.db2.gz QYEZVLLRWORJDQ-QGZVFWFLSA-N 2 0 355.479 0.627 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001256994856 858111839 /nfs/dbraw/zinc/11/18/39/858111839.db2.gz BQGXHZAUQYRWND-UHFFFAOYSA-N 2 0 356.467 0.894 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@H]1C(=O)OC ZINC001257721396 858157484 /nfs/dbraw/zinc/15/74/84/858157484.db2.gz UVBIAFBHYMBCAR-ARFHVFGLSA-N 2 0 356.463 0.411 20 0 FCADRP CCOC(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258480910 858204466 /nfs/dbraw/zinc/20/44/66/858204466.db2.gz AOPINAHYEVYIAW-INIZCTEOSA-N 2 0 364.483 0.333 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CCCCOC)C[C@H]12 ZINC001279726970 863027774 /nfs/dbraw/zinc/02/77/74/863027774.db2.gz OMXAOOLNZOABNW-JKSUJKDBSA-N 2 0 354.495 0.900 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001261334611 858523829 /nfs/dbraw/zinc/52/38/29/858523829.db2.gz VGWNSLRWOCKOKU-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001261379467 858534076 /nfs/dbraw/zinc/53/40/76/858534076.db2.gz CVGKHVVUBLKMQL-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001261436742 858548128 /nfs/dbraw/zinc/54/81/28/858548128.db2.gz KERJZYWLCAXWMC-QGZVFWFLSA-N 2 0 368.499 0.283 20 0 FCADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC(c2nnc3n2CCNC3)CC1 ZINC001261495182 858568837 /nfs/dbraw/zinc/56/88/37/858568837.db2.gz VANIFMUNWAMGTB-LBPRGKRZSA-N 2 0 354.405 0.332 20 0 FCADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(c2nnc3n2CCNC3)CC1 ZINC001261495181 858568875 /nfs/dbraw/zinc/56/88/75/858568875.db2.gz VANIFMUNWAMGTB-GFCCVEGCSA-N 2 0 354.405 0.332 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC001261526069 858580071 /nfs/dbraw/zinc/58/00/71/858580071.db2.gz XRNIYRFGTGRPPQ-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001262008474 858756363 /nfs/dbraw/zinc/75/63/63/858756363.db2.gz NJLZXYIJNBEKEO-VIFPVBQESA-N 2 0 364.347 0.867 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@@H]1C(F)(F)F ZINC001262036132 858764933 /nfs/dbraw/zinc/76/49/33/858764933.db2.gz GYMZVSZHSKOCHS-STQMWFEESA-N 2 0 357.380 0.700 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001262614824 859018814 /nfs/dbraw/zinc/01/88/14/859018814.db2.gz RGDOZOWPDQRLEG-IRXDYDNUSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001263103723 859101778 /nfs/dbraw/zinc/10/17/78/859101778.db2.gz JSYNFHAHZAACER-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001264650011 859413449 /nfs/dbraw/zinc/41/34/49/859413449.db2.gz AMZRPMHQBJAJCJ-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001266285510 859476558 /nfs/dbraw/zinc/47/65/58/859476558.db2.gz BVRNBSHKVWPUMA-FGTMMUONSA-N 2 0 352.523 0.630 20 0 FCADRP Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](CO)n1ccnc1)C2 ZINC001272468355 860161104 /nfs/dbraw/zinc/16/11/04/860161104.db2.gz YMHKUDRVLGTVOG-QLFBSQMISA-N 2 0 361.471 0.914 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822609 860272238 /nfs/dbraw/zinc/27/22/38/860272238.db2.gz ZXPZISCNDAXOGL-VQIMIIECSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1)[NH+](C)C ZINC001273183607 860402759 /nfs/dbraw/zinc/40/27/59/860402759.db2.gz XCNDVNDHLRSARU-MRXNPFEDSA-N 2 0 352.523 0.975 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2CC1 ZINC001273218299 860413051 /nfs/dbraw/zinc/41/30/51/860413051.db2.gz SPPKEEKAKKHBJN-IXDOHACOSA-N 2 0 355.479 0.108 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001273453153 860493847 /nfs/dbraw/zinc/49/38/47/860493847.db2.gz HRALCINMALATLC-CVEARBPZSA-N 2 0 350.507 0.587 20 0 FCADRP CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274305662 860727411 /nfs/dbraw/zinc/72/74/11/860727411.db2.gz LVJSLEFIKDXUDN-HDICACEKSA-N 2 0 354.539 0.972 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C[C@@H]21 ZINC001274923507 860872434 /nfs/dbraw/zinc/87/24/34/860872434.db2.gz DDAWXOFJSPEJNX-BZSNNMDCSA-N 2 0 350.507 0.334 20 0 FCADRP CCCC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275104688 860933685 /nfs/dbraw/zinc/93/36/85/860933685.db2.gz YHQWFRFCMWTRAV-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275324333 861030874 /nfs/dbraw/zinc/03/08/74/861030874.db2.gz GBGQLCDOKXBHME-DLBZAZTESA-N 2 0 350.507 0.193 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(CC(C)(C)C[NH+](C)C)C2 ZINC001275507311 861115303 /nfs/dbraw/zinc/11/53/03/861115303.db2.gz AIFYIIRUMBVLBM-IBGZPJMESA-N 3 0 354.539 0.687 20 0 FCADRP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275557005 861129009 /nfs/dbraw/zinc/12/90/09/861129009.db2.gz RUNRVRYFPCFEBZ-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736419 861180103 /nfs/dbraw/zinc/18/01/03/861180103.db2.gz DPOFFRJQVXQDPU-CRAIPNDOSA-N 2 0 353.463 0.098 20 0 FCADRP CCN(CC)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275738035 861182201 /nfs/dbraw/zinc/18/22/01/861182201.db2.gz RZDCCAGLMCPSJL-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CCS(=O)(=O)CCN1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275737838 861182229 /nfs/dbraw/zinc/18/22/29/861182229.db2.gz PFPYKYRXJOIXBV-UHFFFAOYSA-N 2 0 371.547 0.735 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743667 861187917 /nfs/dbraw/zinc/18/79/17/861187917.db2.gz UKMHUHYIYMAKLV-LPHOPBHVSA-N 2 0 350.507 0.907 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280024693 863194550 /nfs/dbraw/zinc/19/45/50/863194550.db2.gz XSCCFZKLPGJEBF-CALCHBBNSA-N 2 0 355.479 0.110 20 0 FCADRP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280072363 863243473 /nfs/dbraw/zinc/24/34/73/863243473.db2.gz GWMRVZCJCCOGIA-CALCHBBNSA-N 2 0 354.520 0.962 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280138441 863289106 /nfs/dbraw/zinc/28/91/06/863289106.db2.gz YUZSDGQVJJFLEH-AEFFLSMTSA-N 2 0 371.547 0.639 20 0 FCADRP Cc1ncsc1C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@@H]2C1 ZINC001280188648 863316051 /nfs/dbraw/zinc/31/60/51/863316051.db2.gz IOKYXEPMYNIGTR-BPLDGKMQSA-N 2 0 364.515 0.845 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280257922 863364817 /nfs/dbraw/zinc/36/48/17/863364817.db2.gz YCXRAIPPEYPSEG-NVXWUHKLSA-N 2 0 357.520 0.201 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001284736414 864593789 /nfs/dbraw/zinc/59/37/89/864593789.db2.gz KEQCJACYIGSZTJ-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001289499170 865100993 /nfs/dbraw/zinc/10/09/93/865100993.db2.gz DTURAZUXDVSZMM-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)CC1 ZINC001298438277 866113927 /nfs/dbraw/zinc/11/39/27/866113927.db2.gz UETLFZBTFCKXJQ-SFHVURJKSA-N 2 0 366.575 0.910 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001349627481 866400156 /nfs/dbraw/zinc/40/01/56/866400156.db2.gz SUXFQDIDMPKPCH-KXBFYZLASA-N 2 0 350.507 0.955 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[C@@H]1CC[NH2+]C1 ZINC001349990970 866486692 /nfs/dbraw/zinc/48/66/92/866486692.db2.gz BFFJXWGKHBAYMP-HUUCEWRRSA-N 2 0 350.463 0.989 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[C@H]1CC[NH2+]C1 ZINC001349990975 866486727 /nfs/dbraw/zinc/48/67/27/866486727.db2.gz BFFJXWGKHBAYMP-LSDHHAIUSA-N 2 0 350.463 0.989 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001350029595 866494911 /nfs/dbraw/zinc/49/49/11/866494911.db2.gz SUVODWFZALEONE-LSDHHAIUSA-N 2 0 352.479 0.134 20 0 FCADRP O=C1N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001350908084 866728367 /nfs/dbraw/zinc/72/83/67/866728367.db2.gz AMXDCNIWMGNSMC-JHJVBQTASA-N 2 0 350.385 0.520 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001312009063 867134434 /nfs/dbraw/zinc/13/44/34/867134434.db2.gz FMWQIRCSVIESEA-QGZVFWFLSA-N 2 0 355.527 0.160 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001316596634 867361508 /nfs/dbraw/zinc/36/15/08/867361508.db2.gz QWCYTDDCSDLMFX-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001317541218 867539173 /nfs/dbraw/zinc/53/91/73/867539173.db2.gz VISFOKVLSJQUAK-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CCC[C@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1CCOC ZINC001354157355 867556301 /nfs/dbraw/zinc/55/63/01/867556301.db2.gz BNKJQTHMTXXJAZ-JKSUJKDBSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@@H](O)CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317819174 867562217 /nfs/dbraw/zinc/56/22/17/867562217.db2.gz SKHFMGASELCQCV-KZNAEPCWSA-N 2 0 354.539 0.564 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc2)CC1 ZINC001357429974 868113309 /nfs/dbraw/zinc/11/33/09/868113309.db2.gz BLNMNCLJGAAOFM-MRXNPFEDSA-N 2 0 350.463 0.350 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1C ZINC001320231248 868115358 /nfs/dbraw/zinc/11/53/58/868115358.db2.gz LGNBDKJQTCQGSH-FVQBIDKESA-N 2 0 351.495 0.545 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001358607107 868237703 /nfs/dbraw/zinc/23/77/03/868237703.db2.gz YWXDMIQTYZDHRH-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001323400592 869176511 /nfs/dbraw/zinc/17/65/11/869176511.db2.gz RGAYDHROBWNYPC-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001325653238 869973617 /nfs/dbraw/zinc/97/36/17/869973617.db2.gz ZLRWOWSNGIXGHC-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[NH2+]CC1 ZINC001325743112 870014819 /nfs/dbraw/zinc/01/48/19/870014819.db2.gz JUQABILDQPPQOW-MNOVXSKESA-N 2 0 353.385 0.964 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC001326051151 870153988 /nfs/dbraw/zinc/15/39/88/870153988.db2.gz MUKHJEKFCSPBMA-CQSZACIVSA-N 2 0 350.467 0.248 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001326582865 870394793 /nfs/dbraw/zinc/39/47/93/870394793.db2.gz UBVBNRYSZPPBIP-YQQAZPJKSA-N 2 0 371.547 0.937 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001343434023 870423072 /nfs/dbraw/zinc/42/30/72/870423072.db2.gz LPLXVMBIYDGCTB-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001343966529 870688659 /nfs/dbraw/zinc/68/86/59/870688659.db2.gz HVMOQODFVWCJEI-NVXWUHKLSA-N 2 0 354.495 0.189 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327406711 870847301 /nfs/dbraw/zinc/84/73/01/870847301.db2.gz HCBUPWOKDXHSAW-DOXZYTNZSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001327472358 870893473 /nfs/dbraw/zinc/89/34/73/870893473.db2.gz QEVXIZXJFSDEOG-MRXNPFEDSA-N 2 0 354.495 0.779 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001345184322 871217179 /nfs/dbraw/zinc/21/71/79/871217179.db2.gz HPEMLTXYXGJWRY-AWEZNQCLSA-N 2 0 356.536 0.578 20 0 FCADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001328490204 871459320 /nfs/dbraw/zinc/45/93/20/871459320.db2.gz LBNDEFMWLGOFMP-STQMWFEESA-N 2 0 350.467 0.344 20 0 FCADRP CC(C)OCCCNC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001346016609 871604512 /nfs/dbraw/zinc/60/45/12/871604512.db2.gz DJTRKWBBGUTYIQ-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001328799777 871632867 /nfs/dbraw/zinc/63/28/67/871632867.db2.gz OPKHHAFBAMKUPY-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C)CC1 ZINC001346696765 871962712 /nfs/dbraw/zinc/96/27/12/871962712.db2.gz UYPKVDAYROPFRB-HOTGVXAUSA-N 2 0 351.495 0.419 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001330593640 872722437 /nfs/dbraw/zinc/72/24/37/872722437.db2.gz VSXCREJZJRGZHI-PWSUYJOCSA-N 2 0 354.405 0.964 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663074 872756996 /nfs/dbraw/zinc/75/69/96/872756996.db2.gz GPEJFTFCBJFQIF-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001331319537 873059393 /nfs/dbraw/zinc/05/93/93/873059393.db2.gz NYXBRYMKRUAMBK-NSHDSACASA-N 2 0 352.401 0.715 20 0 FCADRP CCN(C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001332234353 873417816 /nfs/dbraw/zinc/41/78/16/873417816.db2.gz WPRCVIWCJJCCEH-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001332628404 873587993 /nfs/dbraw/zinc/58/79/93/873587993.db2.gz QAIQGZVHCZXKHT-YLFCFFPRSA-N 2 0 353.511 0.160 20 0 FCADRP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001332977311 873743300 /nfs/dbraw/zinc/74/33/00/873743300.db2.gz VNIWZKAVWVPCQR-ZBEGNZNMSA-N 2 0 354.405 0.966 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001332995371 873752568 /nfs/dbraw/zinc/75/25/68/873752568.db2.gz UPHMREUYMCLSOS-UHFFFAOYSA-N 2 0 357.520 0.630 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333256960 873878686 /nfs/dbraw/zinc/87/86/86/873878686.db2.gz BUVVPUNTNMEFCF-SCTDSRPQSA-N 2 0 352.523 0.807 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@@H]1C(F)(F)F ZINC001333352803 873919937 /nfs/dbraw/zinc/91/99/37/873919937.db2.gz NZEBSXRWUCJNAM-PWSUYJOCSA-N 2 0 360.384 0.802 20 0 FCADRP CS(=O)(=O)C1(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[NH2+]CC1 ZINC001333354287 873921108 /nfs/dbraw/zinc/92/11/08/873921108.db2.gz MBMGXSWCJSQCKX-UHFFFAOYSA-N 2 0 351.472 0.115 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918590 948853731 /nfs/dbraw/zinc/85/37/31/948853731.db2.gz OGODGQQMNSABIA-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574919229 948871011 /nfs/dbraw/zinc/87/10/11/948871011.db2.gz WWXFMRWWGOEOKZ-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575271432 949618616 /nfs/dbraw/zinc/61/86/16/949618616.db2.gz KIEQRYQCFCYBKN-KGLIPLIRSA-N 2 0 372.477 0.935 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575274112 949677217 /nfs/dbraw/zinc/67/72/17/949677217.db2.gz YTIGXNZJOGDOND-NSHDSACASA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169957 949699490 /nfs/dbraw/zinc/69/94/90/949699490.db2.gz IJOIEODPXDBVED-BBRMVZONSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576193611 950305583 /nfs/dbraw/zinc/30/55/83/950305583.db2.gz UTZZBORUVXXCGS-OLZOCXBDSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909610 950406444 /nfs/dbraw/zinc/40/64/44/950406444.db2.gz ZOKPAGBOKUCAGR-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203697 950447917 /nfs/dbraw/zinc/44/79/17/950447917.db2.gz IMQWERSEVMWCFF-HOCLYGCPSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206255 950563567 /nfs/dbraw/zinc/56/35/67/950563567.db2.gz VVEZZJRWZHVHHS-KBPBESRZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206216 950566378 /nfs/dbraw/zinc/56/63/78/950566378.db2.gz VQFPBAMGYNIMTL-KBPBESRZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207396 950592980 /nfs/dbraw/zinc/59/29/80/950592980.db2.gz HCIVEGAMLOTXOB-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983463 950680669 /nfs/dbraw/zinc/68/06/69/950680669.db2.gz PJRHEOZBCJGZBL-SWLSCSKDSA-N 2 0 356.434 0.099 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576215462 950701264 /nfs/dbraw/zinc/70/12/64/950701264.db2.gz VNCGVTOTMIRNHF-BPUTZDHNSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575927042 950732347 /nfs/dbraw/zinc/73/23/47/950732347.db2.gz ZTKFIYBRZRGKPK-GXTWGEPZSA-N 2 0 370.461 0.427 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570994460 950960696 /nfs/dbraw/zinc/96/06/96/950960696.db2.gz QJNKMUWBYJIIMP-DOMZBBRYSA-N 2 0 358.450 0.427 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040160 951663919 /nfs/dbraw/zinc/66/39/19/951663919.db2.gz NNSLWMLKMASBSN-HNNXBMFYSA-N 2 0 367.457 0.653 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091719 951782378 /nfs/dbraw/zinc/78/23/78/951782378.db2.gz WUMIAEVGGZATSQ-GFCCVEGCSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575093016 951797133 /nfs/dbraw/zinc/79/71/33/951797133.db2.gz GURZKTMQIZMBTR-XJKSGUPXSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104841 951888052 /nfs/dbraw/zinc/88/80/52/951888052.db2.gz FFTALRZZOAPBCE-AWEZNQCLSA-N 2 0 369.473 0.804 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001571062732 951957355 /nfs/dbraw/zinc/95/73/55/951957355.db2.gz BEFLZGZQQFTVDU-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064637 951977297 /nfs/dbraw/zinc/97/72/97/951977297.db2.gz WASJUTQFTNXTPT-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571075734 952096056 /nfs/dbraw/zinc/09/60/56/952096056.db2.gz BOWMCIMYKRGQEL-XJKCOSOUSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077101 952118176 /nfs/dbraw/zinc/11/81/76/952118176.db2.gz YQZGWQOUKZLQBV-SYQHCUMBSA-N 2 0 370.461 0.616 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077494 952119310 /nfs/dbraw/zinc/11/93/10/952119310.db2.gz BWZFLUOEMGCIGH-DZGCQCFKSA-N 2 0 370.461 0.749 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571078989 952137803 /nfs/dbraw/zinc/13/78/03/952137803.db2.gz ZYHIMTKVYKXDCH-IHRRRGAJSA-N 2 0 370.461 0.475 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575145259 952181506 /nfs/dbraw/zinc/18/15/06/952181506.db2.gz UNIFSOBLCJGERS-GFCCVEGCSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCC[NH+](C)C ZINC001575146633 952195219 /nfs/dbraw/zinc/19/52/19/952195219.db2.gz MNVBMJZYLQMCOV-ZDUSSCGKSA-N 2 0 360.466 0.674 20 0 FCADRP C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)C[NH+](C)C)c1)C[NH+](C)C ZINC000293661343 214191292 /nfs/dbraw/zinc/19/12/92/214191292.db2.gz FTIWNVIHLBOLHN-CABCVRRESA-N 2 0 363.506 0.937 20 0 FCADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cn1)C[NH+](C)C ZINC000293948716 214213431 /nfs/dbraw/zinc/21/34/31/214213431.db2.gz VIRKHBGTMPFLFG-LSDHHAIUSA-N 2 0 363.506 0.937 20 0 FCADRP CC(=O)N1CCN(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000265921169 210250205 /nfs/dbraw/zinc/25/02/05/210250205.db2.gz UQXURTCULOVVRF-IBGZPJMESA-N 2 0 374.485 0.168 20 0 FCADRP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2)C1 ZINC000410779413 529798874 /nfs/dbraw/zinc/79/88/74/529798874.db2.gz JTSAZAYRLMAKAI-SQGPQFPESA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923268 529810426 /nfs/dbraw/zinc/81/04/26/529810426.db2.gz BKCCZNFGPVMMOX-PXNSSMCTSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@H+](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000412469541 529833491 /nfs/dbraw/zinc/83/34/91/529833491.db2.gz XHXHQZXHOXYGBI-MRXNPFEDSA-N 2 0 370.563 0.337 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410843288 529861280 /nfs/dbraw/zinc/86/12/80/529861280.db2.gz MOJCDMNRDOPGQW-INIZCTEOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472843 529861469 /nfs/dbraw/zinc/86/14/69/529861469.db2.gz SFUJYQUVFUXRQF-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410841134 529861735 /nfs/dbraw/zinc/86/17/35/529861735.db2.gz GSAAZPDQAQTQHN-YLJYHZDGSA-N 2 0 362.518 0.731 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410969620 529931369 /nfs/dbraw/zinc/93/13/69/529931369.db2.gz FXMYWOUPOCFVLA-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000410781700 529965107 /nfs/dbraw/zinc/96/51/07/529965107.db2.gz CLAJEKWBESJTMT-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)C2)CC1 ZINC000410965301 530050943 /nfs/dbraw/zinc/05/09/43/530050943.db2.gz BLKMKOWWRQSGIG-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)C2)CC1 ZINC000410965302 530051032 /nfs/dbraw/zinc/05/10/32/530051032.db2.gz BLKMKOWWRQSGIG-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC[C@@H]21 ZINC000331550771 215012632 /nfs/dbraw/zinc/01/26/32/215012632.db2.gz JGTFFAHAWXLZNJ-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000331600579 215021435 /nfs/dbraw/zinc/02/14/35/215021435.db2.gz OTJMSBORMHDGKF-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331625461 215025818 /nfs/dbraw/zinc/02/58/18/215025818.db2.gz KOUHTLVOVXQOPV-JKIFEVAISA-N 2 0 354.520 0.235 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000331692027 215035175 /nfs/dbraw/zinc/03/51/75/215035175.db2.gz VFHSQYPCGOKYPF-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCCCC1 ZINC000331711145 215037803 /nfs/dbraw/zinc/03/78/03/215037803.db2.gz KUYXLYZIBAOEPO-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000331728350 215040250 /nfs/dbraw/zinc/04/02/50/215040250.db2.gz ZHRPEBCTMJGRCO-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)CC1 ZINC000331770081 215045226 /nfs/dbraw/zinc/04/52/26/215045226.db2.gz DVORCPJOUZRGFC-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)CC1 ZINC000331871892 215059803 /nfs/dbraw/zinc/05/98/03/215059803.db2.gz ZQGJLBSXYIANDC-SJORKVTESA-N 2 0 366.506 0.143 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000332061497 215086157 /nfs/dbraw/zinc/08/61/57/215086157.db2.gz YDMHQXLSEDKQRR-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000264991058 210034112 /nfs/dbraw/zinc/03/41/12/210034112.db2.gz BPMVBDQEZSDYSI-QZTJIDSGSA-N 2 0 358.486 0.787 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000332128373 215097952 /nfs/dbraw/zinc/09/79/52/215097952.db2.gz HNFHLJHXWPEKOF-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332292367 215123675 /nfs/dbraw/zinc/12/36/75/215123675.db2.gz CTDZCJOOOLWGDD-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332339077 215131926 /nfs/dbraw/zinc/13/19/26/215131926.db2.gz MRONNUAWJPWHPL-UAGQMJEPSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332702445 215205836 /nfs/dbraw/zinc/20/58/36/215205836.db2.gz YGGAKKKVUYQJDD-HOTGVXAUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000333258290 215255214 /nfs/dbraw/zinc/25/52/14/215255214.db2.gz LRQGMGBJSUAKBV-WMLDXEAASA-N 2 0 358.552 0.910 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490586 215288447 /nfs/dbraw/zinc/28/84/47/215288447.db2.gz DGDIVXZQLQROBN-HIFRSBDPSA-N 2 0 363.428 0.560 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@@H]21 ZINC000333473148 215285478 /nfs/dbraw/zinc/28/54/78/215285478.db2.gz BBWWNIXMAOZJCY-XJFOESAGSA-N 2 0 363.428 0.591 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@@H](C)O1 ZINC000333508800 215291240 /nfs/dbraw/zinc/29/12/40/215291240.db2.gz ITOUYVKWONUCRD-INMHGKMJSA-N 2 0 354.495 0.506 20 0 FCADRP C[C@@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000333717707 215312677 /nfs/dbraw/zinc/31/26/77/215312677.db2.gz GEMBWADOTNLXGK-NVXWUHKLSA-N 2 0 360.506 0.960 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000333723794 215314226 /nfs/dbraw/zinc/31/42/26/215314226.db2.gz VBWFQVWNCFZUOI-AWEZNQCLSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000333774619 215318847 /nfs/dbraw/zinc/31/88/47/215318847.db2.gz CPWZSRKPCFGHEO-IAGOWNOFSA-N 2 0 367.538 0.422 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000333878925 215327018 /nfs/dbraw/zinc/32/70/18/215327018.db2.gz VWIWEVMFLHDPKM-AEFFLSMTSA-N 2 0 363.506 0.370 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333902308 215329511 /nfs/dbraw/zinc/32/95/11/215329511.db2.gz ZLRGVJDBQNUDLM-ZBFHGGJFSA-N 2 0 351.495 0.513 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334075750 215341541 /nfs/dbraw/zinc/34/15/41/215341541.db2.gz JDVGUBQMMRMLQT-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCc1cccnc1-n1ccnc1C)C1CC1 ZINC000285565973 213359605 /nfs/dbraw/zinc/35/96/05/213359605.db2.gz RHBDCPOKJOMADA-UHFFFAOYSA-N 2 0 370.457 0.792 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000285261639 213313636 /nfs/dbraw/zinc/31/36/36/213313636.db2.gz ZQUWNKOEYKKOAY-NVXWUHKLSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989817 213261707 /nfs/dbraw/zinc/26/17/07/213261707.db2.gz SRYNCYPKVHNCKY-YJBOKZPZSA-N 2 0 358.486 0.834 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000284963159 213257178 /nfs/dbraw/zinc/25/71/78/213257178.db2.gz JOJUGXJJRAVVGL-GOSISDBHSA-N 2 0 374.485 0.080 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000284627234 213183561 /nfs/dbraw/zinc/18/35/61/213183561.db2.gz YOZCYUYENUSGKT-UHFFFAOYSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000284124984 213079843 /nfs/dbraw/zinc/07/98/43/213079843.db2.gz RNCOALQBPRMBOR-KZNAEPCWSA-N 2 0 358.486 0.958 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283981860 213048318 /nfs/dbraw/zinc/04/83/18/213048318.db2.gz GYRCMZOWWBEYNI-UHFFFAOYSA-N 2 0 350.463 0.059 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)N1CCOCC1 ZINC000245904821 209377831 /nfs/dbraw/zinc/37/78/31/209377831.db2.gz SWRBNDVHUHVADF-IXDOHACOSA-N 2 0 356.511 0.440 20 0 FCADRP C[C@@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000237354571 209351000 /nfs/dbraw/zinc/35/10/00/209351000.db2.gz RWIDRGASZNDAAF-AWEZNQCLSA-N 2 0 364.494 0.525 20 0 FCADRP C[NH2+]C[C@H](C)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000237336092 209350195 /nfs/dbraw/zinc/35/01/95/209350195.db2.gz MIAMOQYLNGTBPX-HNNXBMFYSA-N 2 0 362.474 0.819 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236841583 209344500 /nfs/dbraw/zinc/34/45/00/209344500.db2.gz YKIZVSJBEKRXHZ-GOSISDBHSA-N 2 0 358.486 0.714 20 0 FCADRP CN(C(=O)NCCCN1CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368360065 216237792 /nfs/dbraw/zinc/23/77/92/216237792.db2.gz GNHYCUPYCQMQCC-GOSISDBHSA-N 3 0 367.538 0.519 20 0 FCADRP CC(C)[NH+]1CCN(CCCN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000192760591 209304219 /nfs/dbraw/zinc/30/42/19/209304219.db2.gz CLBBTGJJOZEKHM-IBGZPJMESA-N 2 0 365.566 0.641 20 0 FCADRP C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1(CO)CCOCC1 ZINC000191037378 209281067 /nfs/dbraw/zinc/28/10/67/209281067.db2.gz KSBYJVAWBCXKHW-UHFFFAOYSA-N 2 0 362.474 0.594 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407899 216398111 /nfs/dbraw/zinc/39/81/11/216398111.db2.gz NSXZGZYNLFDCOI-GDBMZVCRSA-N 2 0 351.495 0.463 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000189461647 209252964 /nfs/dbraw/zinc/25/29/64/209252964.db2.gz HJPSJCCQVCPMCM-INIZCTEOSA-N 2 0 354.539 0.752 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000189476261 209252667 /nfs/dbraw/zinc/25/26/67/209252667.db2.gz SZMSOKXQUVBKRR-IBGZPJMESA-N 2 0 364.490 0.896 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000187948868 209221409 /nfs/dbraw/zinc/22/14/09/209221409.db2.gz OPVCSGOEVJMABR-RBUKOAKNSA-N 2 0 360.502 0.640 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)C1 ZINC000187975957 209221455 /nfs/dbraw/zinc/22/14/55/209221455.db2.gz BVVMUVGQSSVTJR-DLBZAZTESA-N 2 0 360.458 0.319 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000187984603 209221082 /nfs/dbraw/zinc/22/10/82/209221082.db2.gz RAHJHHSWOWRANL-DLBZAZTESA-N 2 0 366.893 0.955 20 0 FCADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000187818899 209219412 /nfs/dbraw/zinc/21/94/12/209219412.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 0 374.485 0.874 20 0 FCADRP COCCn1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000275904644 212115861 /nfs/dbraw/zinc/11/58/61/212115861.db2.gz VULWWDVYYAPECF-UHFFFAOYSA-N 2 0 372.473 0.867 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000931480456 674116948 /nfs/dbraw/zinc/11/69/48/674116948.db2.gz CICAFHWTVUPTFS-GOSISDBHSA-N 2 0 357.495 0.747 20 0 FCADRP C[C@H]1C[C@@H](C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752409 245318327 /nfs/dbraw/zinc/31/83/27/245318327.db2.gz BVRJUZGSPVMWQV-RYUDHWBXSA-N 2 0 372.457 0.825 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2C1 ZINC000415119090 245350399 /nfs/dbraw/zinc/35/03/99/245350399.db2.gz YQINYUKORPQDNL-NVXWUHKLSA-N 2 0 371.485 0.923 20 0 FCADRP C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415197054 245361093 /nfs/dbraw/zinc/36/10/93/245361093.db2.gz TYBXJACNIZEJOV-AWEZNQCLSA-N 2 0 360.458 0.450 20 0 FCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415331816 245390109 /nfs/dbraw/zinc/39/01/09/245390109.db2.gz PLXLNAXUSVEEAO-KRWDZBQOSA-N 2 0 371.485 0.635 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1=O ZINC000374061627 217092037 /nfs/dbraw/zinc/09/20/37/217092037.db2.gz OGSAPPUXWLWMNX-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375961362 217338140 /nfs/dbraw/zinc/33/81/40/217338140.db2.gz BGDBSNKXNNHGET-KRWDZBQOSA-N 2 0 350.507 0.528 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623403 245808025 /nfs/dbraw/zinc/80/80/25/245808025.db2.gz XCVZZVSRYMXHKK-YNEHKIRRSA-N 2 0 351.417 0.734 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418808132 245836136 /nfs/dbraw/zinc/83/61/36/245836136.db2.gz QNNGQOAZFMPBFT-INIZCTEOSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCCCC1 ZINC000418896612 245895829 /nfs/dbraw/zinc/89/58/29/245895829.db2.gz FZKZOPTYSYGKLY-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418940896 245918536 /nfs/dbraw/zinc/91/85/36/245918536.db2.gz JTCCEWKCOQFZCB-IAGOWNOFSA-N 2 0 362.474 0.199 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419128332 246003027 /nfs/dbraw/zinc/00/30/27/246003027.db2.gz AFSZGFHYNUYCBJ-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129599 246004681 /nfs/dbraw/zinc/00/46/81/246004681.db2.gz YNVNDTLOVHLLLL-HZPDHXFCSA-N 2 0 355.527 0.008 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419151141 246020105 /nfs/dbraw/zinc/02/01/05/246020105.db2.gz NDHSEYHILGBUGC-KGLIPLIRSA-N 2 0 350.488 0.636 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000419153637 246020798 /nfs/dbraw/zinc/02/07/98/246020798.db2.gz PBDMDIKDBBXQTH-MRXNPFEDSA-N 2 0 369.469 0.952 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419163488 246026178 /nfs/dbraw/zinc/02/61/78/246026178.db2.gz WRBWNRMQSQZWQB-ZWKOTPCHSA-N 2 0 374.485 0.353 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419132215 246006310 /nfs/dbraw/zinc/00/63/10/246006310.db2.gz DPCJBLAKSVXBBA-HNNXBMFYSA-N 2 0 350.463 0.343 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000419134828 246009096 /nfs/dbraw/zinc/00/90/96/246009096.db2.gz LEHVOSRTHNBYFI-UHFFFAOYSA-N 2 0 374.485 0.455 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419141828 246012668 /nfs/dbraw/zinc/01/26/68/246012668.db2.gz XKZZERTXMFAWIX-QGZVFWFLSA-N 2 0 374.485 0.583 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419140870 246014131 /nfs/dbraw/zinc/01/41/31/246014131.db2.gz WMLUDZMZTSFZBR-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146532 246015638 /nfs/dbraw/zinc/01/56/38/246015638.db2.gz BGDMZUNESXOAIY-FUHWJXTLSA-N 2 0 360.502 0.639 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419149034 246017843 /nfs/dbraw/zinc/01/78/43/246017843.db2.gz DTCTZQBZHQUISG-LMMKCTJWSA-N 2 0 372.513 0.876 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148574 246018304 /nfs/dbraw/zinc/01/83/04/246018304.db2.gz DJRRWCDKNHEYNX-SJLPKXTDSA-N 2 0 358.486 0.488 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000419148148 246018323 /nfs/dbraw/zinc/01/83/23/246018323.db2.gz JUOQZXLVSCQQLY-GDBMZVCRSA-N 2 0 362.474 0.439 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419163482 246026802 /nfs/dbraw/zinc/02/68/02/246026802.db2.gz WRBWNRMQSQZWQB-MSOLQXFVSA-N 2 0 374.485 0.353 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164493 246027920 /nfs/dbraw/zinc/02/79/20/246027920.db2.gz MCGLYMJKPFJINJ-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419170873 246031923 /nfs/dbraw/zinc/03/19/23/246031923.db2.gz ODOSKPQOUODXAN-QZTJIDSGSA-N 2 0 358.486 0.535 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419170575 246033389 /nfs/dbraw/zinc/03/33/89/246033389.db2.gz NWIZKTUCAFQYAG-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419187689 246042570 /nfs/dbraw/zinc/04/25/70/246042570.db2.gz JMAWFTRUQIOYEO-GOSISDBHSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419220117 246061596 /nfs/dbraw/zinc/06/15/96/246061596.db2.gz UNKWCCYGLJVYAO-MRXNPFEDSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223466 246061686 /nfs/dbraw/zinc/06/16/86/246061686.db2.gz DAMBXHVHIMUISW-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224546 246065466 /nfs/dbraw/zinc/06/54/66/246065466.db2.gz FUUCNQFCYOZXJY-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419229093 246066737 /nfs/dbraw/zinc/06/67/37/246066737.db2.gz NNWHFQZIXBZGQO-BPQIPLTHSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419199023 246047412 /nfs/dbraw/zinc/04/74/12/246047412.db2.gz DIVGMUVTTOLRRN-GDBMZVCRSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000419197762 246047930 /nfs/dbraw/zinc/04/79/30/246047930.db2.gz YLLCXPUJXPGFJU-CXAGYDPISA-N 2 0 362.449 0.712 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@H](C)O1 ZINC000419202967 246049890 /nfs/dbraw/zinc/04/98/90/246049890.db2.gz HEKXSWDRKBZQDF-GJZGRUSLSA-N 2 0 362.474 0.329 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205944 246052248 /nfs/dbraw/zinc/05/22/48/246052248.db2.gz JXLVNHYPEXIWIG-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419269701 246083420 /nfs/dbraw/zinc/08/34/20/246083420.db2.gz PALFSFDMOPCHBU-SFHVURJKSA-N 2 0 374.485 0.393 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419235293 246070624 /nfs/dbraw/zinc/07/06/24/246070624.db2.gz YTBGYZWSCZNOPZ-XDNAFOTISA-N 2 0 362.518 0.871 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419249747 246076583 /nfs/dbraw/zinc/07/65/83/246076583.db2.gz PLVGCAMRQQHQEA-PMPSAXMXSA-N 2 0 360.502 0.970 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccsc1 ZINC000419372877 246121817 /nfs/dbraw/zinc/12/18/17/246121817.db2.gz MWXCNVLJVPIQFW-CABCVRRESA-N 2 0 368.503 0.433 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419370820 246123039 /nfs/dbraw/zinc/12/30/39/246123039.db2.gz KECDTQHSGHWBEZ-KRWDZBQOSA-N 2 0 350.507 0.895 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419370479 246123353 /nfs/dbraw/zinc/12/33/53/246123353.db2.gz JPOUNNQGLHMESE-DLBZAZTESA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419375439 246123376 /nfs/dbraw/zinc/12/33/76/246123376.db2.gz RMRJIRCKSKNEAJ-IXDOHACOSA-N 2 0 352.523 0.973 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)Cc1ccccc1 ZINC000419371978 246123492 /nfs/dbraw/zinc/12/34/92/246123492.db2.gz LWCLUCFJDLJDLU-FUHWJXTLSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419375809 246124514 /nfs/dbraw/zinc/12/45/14/246124514.db2.gz RGDORGRZXOPRRN-YOEHRIQHSA-N 2 0 358.486 0.398 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419380709 246124706 /nfs/dbraw/zinc/12/47/06/246124706.db2.gz XJIWOFILKVBWEY-OAHLLOKOSA-N 2 0 358.486 0.318 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419375635 246125394 /nfs/dbraw/zinc/12/53/94/246125394.db2.gz RSRVMJWVSPRQAN-IAGOWNOFSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419387203 246126607 /nfs/dbraw/zinc/12/66/07/246126607.db2.gz CKVBZQLASFTJNJ-GOEBONIOSA-N 2 0 364.515 0.431 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412859 246146413 /nfs/dbraw/zinc/14/64/13/246146413.db2.gz DMFGQSBOTAKRBC-ZWKOTPCHSA-N 2 0 373.501 0.041 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419415793 246149137 /nfs/dbraw/zinc/14/91/37/246149137.db2.gz GNVATMQLMRUJFD-ROUUACIJSA-N 2 0 358.486 0.937 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000419415620 246150516 /nfs/dbraw/zinc/15/05/16/246150516.db2.gz VMBZMYDIUSBFBA-LPHOPBHVSA-N 2 0 362.449 0.757 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000419403818 246136677 /nfs/dbraw/zinc/13/66/77/246136677.db2.gz FFVKXDZVBOSCBA-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419404743 246139594 /nfs/dbraw/zinc/13/95/94/246139594.db2.gz GQHXXMXMYYUCKQ-ARFHVFGLSA-N 2 0 350.438 0.931 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407758 246142605 /nfs/dbraw/zinc/14/26/05/246142605.db2.gz YZXUMPSJEDBKGU-XYJFISCASA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419411496 246143574 /nfs/dbraw/zinc/14/35/74/246143574.db2.gz PWKIUWPIXZNSFK-JKSUJKDBSA-N 2 0 350.438 0.755 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@@H](C)[NH2+]1 ZINC000419421141 246154628 /nfs/dbraw/zinc/15/46/28/246154628.db2.gz LGUWKFIZEUCPGR-HZPDHXFCSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419421532 246155502 /nfs/dbraw/zinc/15/55/02/246155502.db2.gz LMJWVCVGUHLFSY-HOTGVXAUSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419425344 246156570 /nfs/dbraw/zinc/15/65/70/246156570.db2.gz PJEAEAHTFBXBQB-QAPCUYQASA-N 2 0 358.486 0.747 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419427295 246156688 /nfs/dbraw/zinc/15/66/88/246156688.db2.gz RWDJYVKHJZFMOV-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419427998 246159481 /nfs/dbraw/zinc/15/94/81/246159481.db2.gz SKFPMOQUEFHDSS-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]1 ZINC000419419037 246151345 /nfs/dbraw/zinc/15/13/45/246151345.db2.gz YSHPSUORGHJZLC-WQVCFCJDSA-N 2 0 350.438 0.801 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419502808 246183007 /nfs/dbraw/zinc/18/30/07/246183007.db2.gz BXNCAAWNNJAEJC-KURKYZTESA-N 2 0 356.470 0.303 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419477801 246178853 /nfs/dbraw/zinc/17/88/53/246178853.db2.gz ITJNTQKWIMWQSD-TWMKSMIVSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419484322 246179503 /nfs/dbraw/zinc/17/95/03/246179503.db2.gz SZFVJBWLXFJQPV-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534577 246194621 /nfs/dbraw/zinc/19/46/21/246194621.db2.gz QMRWYJUTMFIDJZ-CRAIPNDOSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537302 246195606 /nfs/dbraw/zinc/19/56/06/246195606.db2.gz VRMGNXFSGFYZNA-CRAIPNDOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419561752 246201102 /nfs/dbraw/zinc/20/11/02/246201102.db2.gz UCYAEQDDFROWFU-YYIAUSFCSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000419556943 246201566 /nfs/dbraw/zinc/20/15/66/246201566.db2.gz LMHXKRPFXGGEQZ-BGTYHANMSA-N 2 0 358.486 0.786 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H](C[NH3+])C1 ZINC000419659788 246233279 /nfs/dbraw/zinc/23/32/79/246233279.db2.gz AWQTUOJEAIGLNB-CVEARBPZSA-N 2 0 356.511 0.576 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419667022 246237139 /nfs/dbraw/zinc/23/71/39/246237139.db2.gz RLGFOFJRUOETOA-SJORKVTESA-N 2 0 371.485 0.767 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C(C)C ZINC000419664396 246237433 /nfs/dbraw/zinc/23/74/33/246237433.db2.gz MESOFXHALIWVCU-HUUCEWRRSA-N 2 0 356.511 0.841 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419664194 246237710 /nfs/dbraw/zinc/23/77/10/246237710.db2.gz RFXURAHLRUNSTN-HNNXBMFYSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000419665156 246237901 /nfs/dbraw/zinc/23/79/01/246237901.db2.gz SXPWAVCIYHKDOC-RYRKJORJSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419690033 246251539 /nfs/dbraw/zinc/25/15/39/246251539.db2.gz ULCXAQPRBLDUSA-HNNXBMFYSA-N 2 0 368.547 0.580 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000419698121 246257397 /nfs/dbraw/zinc/25/73/97/246257397.db2.gz YKRZXBFNUXXBHW-AWEZNQCLSA-N 2 0 354.520 0.318 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419702403 246258639 /nfs/dbraw/zinc/25/86/39/246258639.db2.gz BSSGBTLXCZOHDO-NVXWUHKLSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419709882 246263101 /nfs/dbraw/zinc/26/31/01/246263101.db2.gz PFTGGLLLNHBZDH-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419709884 246263825 /nfs/dbraw/zinc/26/38/25/246263825.db2.gz PFTGGLLLNHBZDH-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419714392 246265243 /nfs/dbraw/zinc/26/52/43/246265243.db2.gz XUQAXFWAERWFCZ-WBVHZDCISA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419757855 246287562 /nfs/dbraw/zinc/28/75/62/246287562.db2.gz JCKOOYAOCHRMLK-AWEZNQCLSA-N 2 0 364.465 0.960 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762398 246288552 /nfs/dbraw/zinc/28/85/52/246288552.db2.gz SBRXZBUQNFAZOW-HNNXBMFYSA-N 2 0 350.438 0.442 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)Cc1ccc(F)cc1 ZINC000419760904 246289684 /nfs/dbraw/zinc/28/96/84/246289684.db2.gz OQASVLKZGHEAIQ-UHFFFAOYSA-N 2 0 350.438 0.571 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419760020 246289877 /nfs/dbraw/zinc/28/98/77/246289877.db2.gz NGISKYAVDNOOAX-OAHLLOKOSA-N 2 0 350.438 0.490 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419766197 246291491 /nfs/dbraw/zinc/29/14/91/246291491.db2.gz RGRZJBPBCCVLCV-QRVBRYPASA-N 2 0 370.497 0.834 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419799995 246298881 /nfs/dbraw/zinc/29/88/81/246298881.db2.gz GNIPBEOQXKNOSC-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419803444 246302165 /nfs/dbraw/zinc/30/21/65/246302165.db2.gz CINFBXMUNAKQDD-RHSMWYFYSA-N 2 0 362.474 0.754 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419804079 246302431 /nfs/dbraw/zinc/30/24/31/246302431.db2.gz FSKSHRRRECSEHP-BSDSXHPESA-N 2 0 358.486 0.910 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419816985 246304837 /nfs/dbraw/zinc/30/48/37/246304837.db2.gz LSTKHCOHNLAUGK-MSOLQXFVSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419815314 246305195 /nfs/dbraw/zinc/30/51/95/246305195.db2.gz PIOBTPSXKUUHNS-IMJJTQAJSA-N 2 0 362.474 0.635 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419828937 246310629 /nfs/dbraw/zinc/31/06/29/246310629.db2.gz URAASRREOAZROA-YOEHRIQHSA-N 2 0 362.474 0.659 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419837751 246312584 /nfs/dbraw/zinc/31/25/84/246312584.db2.gz DMQJVHGSJVPLQX-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419843097 246317234 /nfs/dbraw/zinc/31/72/34/246317234.db2.gz WYAKYXACKCZOCF-GJZGRUSLSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419854412 246324127 /nfs/dbraw/zinc/32/41/27/246324127.db2.gz GIAPXGFHIPTGSI-YVSFHVDLSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419858092 246328467 /nfs/dbraw/zinc/32/84/67/246328467.db2.gz HLSAGTMJHAEPRH-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419859266 246328814 /nfs/dbraw/zinc/32/88/14/246328814.db2.gz MZEWVERXDDBEPN-KRWDZBQOSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419863128 246332623 /nfs/dbraw/zinc/33/26/23/246332623.db2.gz NKJFGINXAPUVLD-MRXNPFEDSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864401 246333281 /nfs/dbraw/zinc/33/32/81/246333281.db2.gz ISFJCGIQUNXLIO-KRWDZBQOSA-N 2 0 367.538 0.169 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000419867791 246338013 /nfs/dbraw/zinc/33/80/13/246338013.db2.gz CXYDODCGKYAPFF-CABCVRRESA-N 2 0 350.463 0.864 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000419912481 246365291 /nfs/dbraw/zinc/36/52/91/246365291.db2.gz LKDNYNGHNGCCJC-CGZBRXJRSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419930759 246375841 /nfs/dbraw/zinc/37/58/41/246375841.db2.gz BUFKRFFXFQUWOM-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419876397 246343351 /nfs/dbraw/zinc/34/33/51/246343351.db2.gz PNFNRWZLJDWTJP-UHFFFAOYSA-N 2 0 356.417 0.581 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000419876873 246344720 /nfs/dbraw/zinc/34/47/20/246344720.db2.gz PZQWJXSBCVNDGN-KRWDZBQOSA-N 2 0 361.490 0.620 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887487 246351907 /nfs/dbraw/zinc/35/19/07/246351907.db2.gz FALJADSATDIWCT-RDGPPVDQSA-N 2 0 370.497 0.963 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887484 246352593 /nfs/dbraw/zinc/35/25/93/246352593.db2.gz FALJADSATDIWCT-HCXYKTFWSA-N 2 0 370.497 0.963 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000419891766 246354301 /nfs/dbraw/zinc/35/43/01/246354301.db2.gz NMZUDJRVBXRHMG-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000419900435 246359605 /nfs/dbraw/zinc/35/96/05/246359605.db2.gz QYBCCESLCJEGTM-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000419908555 246363071 /nfs/dbraw/zinc/36/30/71/246363071.db2.gz YQGIGBCKGAQRFU-JYJNAYRXSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423364153 247014275 /nfs/dbraw/zinc/01/42/75/247014275.db2.gz ATYVIUTYZOTETJ-WMZOPIPTSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423392780 247018690 /nfs/dbraw/zinc/01/86/90/247018690.db2.gz QMUFCMDZZSEIDT-AWEZNQCLSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423270421 246991408 /nfs/dbraw/zinc/99/14/08/246991408.db2.gz WQAIGCILMCUNFS-SFHVURJKSA-N 2 0 354.495 0.015 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423601125 247069798 /nfs/dbraw/zinc/06/97/98/247069798.db2.gz ZTDIEMVLBIXRMS-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423566854 247054990 /nfs/dbraw/zinc/05/49/90/247054990.db2.gz CJCKXLSVHNHXHC-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423450779 247029740 /nfs/dbraw/zinc/02/97/40/247029740.db2.gz UFBCIWTVDJWJEA-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470796 247032824 /nfs/dbraw/zinc/03/28/24/247032824.db2.gz GUGOIXNGDZLXAO-OWYHZJEWSA-N 2 0 370.497 0.773 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000423481155 247034500 /nfs/dbraw/zinc/03/45/00/247034500.db2.gz PVRSIZWVHITLDB-NXHRZFHOSA-N 2 0 356.470 0.397 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423515848 247040556 /nfs/dbraw/zinc/04/05/56/247040556.db2.gz VWWGPZCHNRWONL-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423520171 247042774 /nfs/dbraw/zinc/04/27/74/247042774.db2.gz QXXUHWVISDSDNJ-MRXNPFEDSA-N 2 0 368.522 0.391 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423608719 247075228 /nfs/dbraw/zinc/07/52/28/247075228.db2.gz OKBMTLHJCCIPMB-BHIYHBOVSA-N 2 0 370.497 0.787 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423632129 247086142 /nfs/dbraw/zinc/08/61/42/247086142.db2.gz NSIZMXRYFPJFFL-OTWHNJEPSA-N 2 0 370.497 0.774 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423638748 247088102 /nfs/dbraw/zinc/08/81/02/247088102.db2.gz IQKNNJYMCVNYSD-UHFFFAOYSA-N 2 0 350.463 0.757 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423649511 247091503 /nfs/dbraw/zinc/09/15/03/247091503.db2.gz PMDIMDUQDYNQGS-FXAWDEMLSA-N 2 0 374.485 0.032 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649514 247092482 /nfs/dbraw/zinc/09/24/82/247092482.db2.gz PMDIMDUQDYNQGS-YLJYHZDGSA-N 2 0 374.485 0.032 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000423696852 247114742 /nfs/dbraw/zinc/11/47/42/247114742.db2.gz MGWKYCQNGMACGL-BHYGNILZSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)[C@@H](C)C[NH2+]1 ZINC000423659549 247098307 /nfs/dbraw/zinc/09/83/07/247098307.db2.gz ZNNCPQHROLFSLW-CABCVRRESA-N 2 0 350.463 0.769 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423700394 247115982 /nfs/dbraw/zinc/11/59/82/247115982.db2.gz UBGGYZUOMPKEDD-BRWVUGGUSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423700395 247116430 /nfs/dbraw/zinc/11/64/30/247116430.db2.gz UBGGYZUOMPKEDD-ZACQAIPSSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423698972 247116606 /nfs/dbraw/zinc/11/66/06/247116606.db2.gz QDYXZGWQRFFONA-NVXWUHKLSA-N 2 0 368.522 0.674 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423713451 247119927 /nfs/dbraw/zinc/11/99/27/247119927.db2.gz VTLJLMDMEBZWTR-INIZCTEOSA-N 2 0 366.462 0.136 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423725336 247127786 /nfs/dbraw/zinc/12/77/86/247127786.db2.gz SNMORDWACYZNON-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000423736682 247132842 /nfs/dbraw/zinc/13/28/42/247132842.db2.gz STPBQBKUQYWYDX-ZOBUZTSGSA-N 2 0 357.520 0.344 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000423736678 247133427 /nfs/dbraw/zinc/13/34/27/247133427.db2.gz STPBQBKUQYWYDX-VYDXJSESSA-N 2 0 357.520 0.344 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423738404 247133754 /nfs/dbraw/zinc/13/37/54/247133754.db2.gz QKGCVEAPYYHPMB-WBVHZDCISA-N 2 0 366.506 0.143 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@@H]1C[NH3+] ZINC000423741748 247134509 /nfs/dbraw/zinc/13/45/09/247134509.db2.gz SWXWNXRRLNJSSC-GDBMZVCRSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423740676 247134539 /nfs/dbraw/zinc/13/45/39/247134539.db2.gz GVCQBJDCPIVCDI-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000424457005 247223641 /nfs/dbraw/zinc/22/36/41/247223641.db2.gz QNRXVZJEBLXHQI-INIZCTEOSA-N 2 0 374.485 0.963 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000424455899 247223956 /nfs/dbraw/zinc/22/39/56/247223956.db2.gz ONHCTKWFAHQHIP-QGZVFWFLSA-N 2 0 362.474 0.601 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C)cc(C[NH3+])c3)C2)CC1 ZINC000424456693 247224898 /nfs/dbraw/zinc/22/48/98/247224898.db2.gz QDPMZBYFFFJARR-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000424474453 247230779 /nfs/dbraw/zinc/23/07/79/247230779.db2.gz XLDXWGKJQDVGOV-MSOLQXFVSA-N 2 0 374.485 0.886 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054671 247288010 /nfs/dbraw/zinc/28/80/10/247288010.db2.gz FQHKSUDMBIZZRG-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424542984 247256381 /nfs/dbraw/zinc/25/63/81/247256381.db2.gz JAIIGJVVRRPETE-OKZBNKHCSA-N 2 0 356.470 0.588 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425384203 247329885 /nfs/dbraw/zinc/32/98/85/247329885.db2.gz JMQKKSYWIQSINP-DOTOQJQBSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425387830 247330292 /nfs/dbraw/zinc/33/02/92/247330292.db2.gz NWYOZLSWPVBPPL-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425389496 247330358 /nfs/dbraw/zinc/33/03/58/247330358.db2.gz PXQUYYOTIASVFA-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000425651811 247359211 /nfs/dbraw/zinc/35/92/11/247359211.db2.gz MZNCEGHWFUQMAS-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)O1 ZINC000426821524 247479953 /nfs/dbraw/zinc/47/99/53/247479953.db2.gz UBXDUVYUDGWDCU-WCVJEAGWSA-N 2 0 356.511 0.447 20 0 FCADRP Cc1nsc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433173648 247848582 /nfs/dbraw/zinc/84/85/82/247848582.db2.gz KICNVOLUNWSYAA-UHFFFAOYSA-N 2 0 352.508 0.698 20 0 FCADRP C[NH+](C)C1(CNC(=O)COCC(=O)NCC2([NH+](C)C)CCC2)CCC1 ZINC000438535451 248088267 /nfs/dbraw/zinc/08/82/67/248088267.db2.gz YISUPSCKYHOJSD-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000439240794 248116777 /nfs/dbraw/zinc/11/67/77/248116777.db2.gz XCWMBGJLBDDFLT-ZWKOTPCHSA-N 2 0 355.523 0.989 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000440972905 248227223 /nfs/dbraw/zinc/22/72/23/248227223.db2.gz NUHJHEBRGOCQBU-VYDXJSESSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CCSCC1 ZINC000442656225 248294263 /nfs/dbraw/zinc/29/42/63/248294263.db2.gz WAXKIRNNCWAXCC-GJZGRUSLSA-N 2 0 356.536 0.483 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000443234979 248313435 /nfs/dbraw/zinc/31/34/35/248313435.db2.gz SAWQLVPUFRCQJU-HUUCEWRRSA-N 2 0 355.527 0.849 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443377472 248323645 /nfs/dbraw/zinc/32/36/45/248323645.db2.gz GLUGMCUWPMREPC-QGZVFWFLSA-N 2 0 354.539 0.922 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c2)C1 ZINC000444168292 248349664 /nfs/dbraw/zinc/34/96/64/248349664.db2.gz NNBZSYOKNCJHFL-LQWHRVPQSA-N 2 0 370.497 1.000 20 0 FCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1)Cc1ccccc1 ZINC000444261217 248352956 /nfs/dbraw/zinc/35/29/56/248352956.db2.gz DRVWFBZZCHVRIN-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444271966 248353750 /nfs/dbraw/zinc/35/37/50/248353750.db2.gz UWIJCWLKRBJWTF-DNVCBOLYSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000452565914 249322904 /nfs/dbraw/zinc/32/29/04/249322904.db2.gz NKWPUVBEKKZRTB-FIDHJVLJSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)CN1CC[NH+](C)CC1 ZINC000271649264 211436344 /nfs/dbraw/zinc/43/63/44/211436344.db2.gz FTBJMNXKVFUATK-CABCVRRESA-N 2 0 354.520 0.868 20 0 FCADRP C[C@H](CNC(=O)[C@H]1[C@H](C)CC(=O)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000468272667 249890376 /nfs/dbraw/zinc/89/03/76/249890376.db2.gz NVAVRRBVZBOKHC-VUBIOHBQSA-N 2 0 368.522 0.350 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470738364 250058876 /nfs/dbraw/zinc/05/88/76/250058876.db2.gz UTAINTIACAFFHB-MRXNPFEDSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)CCOCC[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000471561112 250108171 /nfs/dbraw/zinc/10/81/71/250108171.db2.gz VNMHGTDFGCFYHP-UHFFFAOYSA-N 2 0 371.503 0.375 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472275993 250143464 /nfs/dbraw/zinc/14/34/64/250143464.db2.gz LYZOQRLSOWBGFY-CVEARBPZSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472278279 250143769 /nfs/dbraw/zinc/14/37/69/250143769.db2.gz NZMDGJBDBIRIAN-YESZJQIVSA-N 2 0 368.522 0.532 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269922136 211118292 /nfs/dbraw/zinc/11/82/92/211118292.db2.gz RUUCEFHACKMTMI-UHFFFAOYSA-N 2 0 354.455 0.189 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472276023 250142788 /nfs/dbraw/zinc/14/27/88/250142788.db2.gz LYZOQRLSOWBGFY-HZPDHXFCSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000473002030 250192507 /nfs/dbraw/zinc/19/25/07/250192507.db2.gz POSVYJVSLUCKKR-IAGOWNOFSA-N 2 0 356.511 0.849 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480879836 250289910 /nfs/dbraw/zinc/28/99/10/250289910.db2.gz LNMVDTHONWNDRH-HOTGVXAUSA-N 2 0 370.538 0.554 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943510 250299191 /nfs/dbraw/zinc/29/91/91/250299191.db2.gz XSTPXJRPUNDFSO-BBWFWOEESA-N 2 0 370.538 0.506 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCN(C)CC1 ZINC000481018340 250308219 /nfs/dbraw/zinc/30/82/19/250308219.db2.gz DPZINDSRKNULCE-WMZOPIPTSA-N 2 0 371.595 0.995 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000481162265 250318780 /nfs/dbraw/zinc/31/87/80/250318780.db2.gz CCSWSPWIOMLSNF-FZDBZEDMSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNc1nc(NC[C@](C)(O)C[NH+](C)C)ncc1Cl ZINC000269762355 211069846 /nfs/dbraw/zinc/06/98/46/211069846.db2.gz FHOYVEWDDBWNLY-CVEARBPZSA-N 2 0 374.917 0.579 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+](C)C1 ZINC000413322772 532997733 /nfs/dbraw/zinc/99/77/33/532997733.db2.gz IMFNGEQRZFAKBV-IAGOWNOFSA-N 2 0 366.506 0.997 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000068063316 208025413 /nfs/dbraw/zinc/02/54/13/208025413.db2.gz GYWHVJBYTDGVKI-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016783 208029200 /nfs/dbraw/zinc/02/92/00/208029200.db2.gz GHGBEPFJZPULGV-GJZGRUSLSA-N 2 0 352.479 0.750 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000105730475 208203947 /nfs/dbraw/zinc/20/39/47/208203947.db2.gz DXHNUARZYPWPMO-UHFFFAOYSA-N 2 0 350.463 0.723 20 0 FCADRP O=S1(=O)CCCN1CCNc1ncnc2c1cnn2-c1ccncc1 ZINC000119211331 208356610 /nfs/dbraw/zinc/35/66/10/208356610.db2.gz GQYBHPVBHYCXHK-UHFFFAOYSA-N 2 0 359.415 0.658 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616579 208388834 /nfs/dbraw/zinc/38/88/34/208388834.db2.gz FPYYVABKNWDODX-HOTGVXAUSA-N 2 0 367.538 0.911 20 0 FCADRP Cn1ccnc1-c1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 ZINC000176919170 209012393 /nfs/dbraw/zinc/01/23/93/209012393.db2.gz CXGVRRCSXCTGPX-UHFFFAOYSA-N 2 0 371.441 0.864 20 0 FCADRP CN(c1ccccc1C[NH2+]CCNS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000177566241 209027056 /nfs/dbraw/zinc/02/70/56/209027056.db2.gz FJZOSQDQBASBRQ-UHFFFAOYSA-N 2 0 354.520 0.856 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000413476888 533478540 /nfs/dbraw/zinc/47/85/40/533478540.db2.gz FVWMDNGZYJBWJY-HNNXBMFYSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000413188900 533480531 /nfs/dbraw/zinc/48/05/31/533480531.db2.gz VJYSRQUSZSUPFV-CVEARBPZSA-N 2 0 354.495 0.853 20 0 FCADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290253612 229618114 /nfs/dbraw/zinc/61/81/14/229618114.db2.gz WPPLVCSXAAGMOB-IAGOWNOFSA-N 2 0 361.490 0.416 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000410474232 230092928 /nfs/dbraw/zinc/09/29/28/230092928.db2.gz KRTYVYMUSODVOI-SFHVURJKSA-N 2 0 372.513 0.926 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729050 230216832 /nfs/dbraw/zinc/21/68/32/230216832.db2.gz GSUVXCHDZFWBOI-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933845321 674276737 /nfs/dbraw/zinc/27/67/37/674276737.db2.gz BRCZBDFJHRMOJI-INIZCTEOSA-N 2 0 352.523 0.929 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000933851473 674277087 /nfs/dbraw/zinc/27/70/87/674277087.db2.gz YOIVCWMCKRRFIQ-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000363847425 488891941 /nfs/dbraw/zinc/89/19/41/488891941.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 2 0 355.527 0.375 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000325088357 488908214 /nfs/dbraw/zinc/90/82/14/488908214.db2.gz MKSYCPMNUOXZEE-INIZCTEOSA-N 2 0 355.504 0.907 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000364055468 488918503 /nfs/dbraw/zinc/91/85/03/488918503.db2.gz MKZGFTHSLMQLJV-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000288146915 488949996 /nfs/dbraw/zinc/94/99/96/488949996.db2.gz LVXRKECWCUEORY-AWEZNQCLSA-N 2 0 350.463 0.940 20 0 FCADRP O=C([C@H]1COCCN1CC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000364414508 488957447 /nfs/dbraw/zinc/95/74/47/488957447.db2.gz CYOHMSBYNMTLEO-GOSISDBHSA-N 2 0 351.491 0.811 20 0 FCADRP COC(=O)C1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051956767 488152739 /nfs/dbraw/zinc/15/27/39/488152739.db2.gz MBYJZMIPLNDCSF-UHFFFAOYSA-N 2 0 367.490 0.442 20 0 FCADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000056521966 488257262 /nfs/dbraw/zinc/25/72/62/488257262.db2.gz BDKMFWZICFFWGQ-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000060359791 488289025 /nfs/dbraw/zinc/28/90/25/488289025.db2.gz LROJWILUGRNLTF-UHFFFAOYSA-N 2 0 366.506 0.111 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816608 491191700 /nfs/dbraw/zinc/19/17/00/491191700.db2.gz VETIDWDFMNSQAO-QWHCGFSZSA-N 2 0 351.417 0.558 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000562823162 491193497 /nfs/dbraw/zinc/19/34/97/491193497.db2.gz TZJMWZNQQOXUCD-LZWOXQAQSA-N 2 0 364.877 0.737 20 0 FCADRP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCC2(CC1)OCCO2 ZINC000069028351 488370388 /nfs/dbraw/zinc/37/03/88/488370388.db2.gz QAOKGPOTULKPCA-UHFFFAOYSA-N 2 0 367.490 0.396 20 0 FCADRP C[NH+]1CCC(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345368 488390748 /nfs/dbraw/zinc/39/07/48/488390748.db2.gz KUFFITBXJMHWGI-INIZCTEOSA-N 2 0 353.511 0.605 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000183345166 488392118 /nfs/dbraw/zinc/39/21/18/488392118.db2.gz MXZXSPFTQOMEAW-UHFFFAOYSA-N 2 0 364.494 0.621 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335641 491194982 /nfs/dbraw/zinc/19/49/82/491194982.db2.gz ZCZAQQJLLBQKSQ-YJBOKZPZSA-N 2 0 372.513 0.801 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000554336684 491196195 /nfs/dbraw/zinc/19/61/95/491196195.db2.gz IJWPVQUBDCQYTB-PMPSAXMXSA-N 2 0 354.495 0.155 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000077806921 488418214 /nfs/dbraw/zinc/41/82/14/488418214.db2.gz AOEIDEUTGQJSRG-UHFFFAOYSA-N 2 0 361.490 0.711 20 0 FCADRP COC(=O)CCN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000192790692 488424463 /nfs/dbraw/zinc/42/44/63/488424463.db2.gz SNMZXQGOKKMNIS-SFHVURJKSA-N 2 0 354.539 0.972 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000193421982 488427399 /nfs/dbraw/zinc/42/73/99/488427399.db2.gz OXTPUBTYLPBJHQ-QGZVFWFLSA-N 2 0 367.538 0.962 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000246122394 488470013 /nfs/dbraw/zinc/47/00/13/488470013.db2.gz HJPIHTGQUBXOLD-YVSFHVDLSA-N 2 0 352.523 0.879 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)CC1=O ZINC000246332060 488471770 /nfs/dbraw/zinc/47/17/70/488471770.db2.gz BAOFIOUZKADXIS-IRXDYDNUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000246931953 488478510 /nfs/dbraw/zinc/47/85/10/488478510.db2.gz HBWPPZPHTRMYAG-KZNAEPCWSA-N 2 0 368.522 0.849 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288105 488486817 /nfs/dbraw/zinc/48/68/17/488486817.db2.gz JQJRKXHUVLFTQA-RTBURBONSA-N 2 0 360.502 0.860 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000248567521 488498242 /nfs/dbraw/zinc/49/82/42/488498242.db2.gz BZPXZVBMKVPFPL-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP CCC(=O)N1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000269415867 488500643 /nfs/dbraw/zinc/50/06/43/488500643.db2.gz GHTCKQBAFOPVEM-KRWDZBQOSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000248878657 488503847 /nfs/dbraw/zinc/50/38/47/488503847.db2.gz KEFOMUCRVNLGIJ-XAUMDUMWSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000249110657 488505709 /nfs/dbraw/zinc/50/57/09/488505709.db2.gz MMCFDDPBRRJGLV-DLBZAZTESA-N 2 0 369.554 0.357 20 0 FCADRP CC(C)[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000104801048 488505751 /nfs/dbraw/zinc/50/57/51/488505751.db2.gz ILQNTUYBVLVRBD-INIZCTEOSA-N 2 0 355.527 0.992 20 0 FCADRP C[C@H](O)CN1CC[N@H+](CCCCN2CC[NH+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249405259 488509543 /nfs/dbraw/zinc/50/95/43/488509543.db2.gz XEXAVUVHPRZUIC-MUGJNUQGSA-N 2 0 370.582 0.540 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000554462038 491204192 /nfs/dbraw/zinc/20/41/92/491204192.db2.gz UGMJRGQCSLJDJW-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108562668 488519390 /nfs/dbraw/zinc/51/93/90/488519390.db2.gz VAHDOHDWVBVXGA-FUHWJXTLSA-N 2 0 368.547 0.978 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000109166506 488522324 /nfs/dbraw/zinc/52/23/24/488522324.db2.gz QSHYOILKGMCENV-GOSISDBHSA-N 2 0 369.554 0.404 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757812 488534734 /nfs/dbraw/zinc/53/47/34/488534734.db2.gz JLLXFRLCABSKDO-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000261796552 488536574 /nfs/dbraw/zinc/53/65/74/488536574.db2.gz ZLUCORGPEJFALY-ZACQAIPSSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261877235 488539496 /nfs/dbraw/zinc/53/94/96/488539496.db2.gz UGHNCRYMEPXGOX-CXAGYDPISA-N 2 0 368.503 0.052 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261896049 488540539 /nfs/dbraw/zinc/54/05/39/488540539.db2.gz RBWOGUPKAQUKKS-ZNMIVQPWSA-N 2 0 367.494 0.189 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892225 488540678 /nfs/dbraw/zinc/54/06/78/488540678.db2.gz CGPIAXZPKWDKGB-MSOLQXFVSA-N 2 0 364.534 0.630 20 0 FCADRP O=C1[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1c1ccccc1 ZINC000114501883 488540887 /nfs/dbraw/zinc/54/08/87/488540887.db2.gz KGMYYAAQHVOGGU-IBGZPJMESA-N 2 0 360.502 0.772 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114587576 488541847 /nfs/dbraw/zinc/54/18/47/488541847.db2.gz UIFNEAUYKBEYET-GOSISDBHSA-N 2 0 369.554 0.550 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114587574 488541858 /nfs/dbraw/zinc/54/18/58/488541858.db2.gz UIFNEAUYKBEYET-SFHVURJKSA-N 2 0 369.554 0.550 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000261921383 488542315 /nfs/dbraw/zinc/54/23/15/488542315.db2.gz XPHVTHLGGTUICJ-QZTJIDSGSA-N 2 0 352.523 0.630 20 0 FCADRP CC1CCN(C(=O)C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000261984766 488544632 /nfs/dbraw/zinc/54/46/32/488544632.db2.gz CILHBVVDGDOUQJ-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000261999279 488545100 /nfs/dbraw/zinc/54/51/00/488545100.db2.gz PAZJAOGMTMHCGG-INIZCTEOSA-N 2 0 360.506 0.835 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCCCC1 ZINC000120164970 488560415 /nfs/dbraw/zinc/56/04/15/488560415.db2.gz FGAAJMRQGGVAST-OAHLLOKOSA-N 2 0 364.494 0.621 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000262283575 488561351 /nfs/dbraw/zinc/56/13/51/488561351.db2.gz UYOIGSBUWVQLJC-IKGGRYGDSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262305815 488563027 /nfs/dbraw/zinc/56/30/27/488563027.db2.gz CEQZQMVYTNVBFJ-GOSISDBHSA-N 2 0 374.485 0.507 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262473952 488571917 /nfs/dbraw/zinc/57/19/17/488571917.db2.gz YQFJENWJKFQELC-HXUWFJFHSA-N 2 0 371.529 0.554 20 0 FCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262477287 488572556 /nfs/dbraw/zinc/57/25/56/488572556.db2.gz HKRJNIYTHWBUOS-RBUKOAKNSA-N 2 0 360.502 0.423 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530928 488586574 /nfs/dbraw/zinc/58/65/74/488586574.db2.gz AMFDAZRWZRTGCF-CQSZACIVSA-N 2 0 360.462 0.511 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C ZINC000124649973 488594504 /nfs/dbraw/zinc/59/45/04/488594504.db2.gz DJUAVJPHOQMFQD-AWEZNQCLSA-N 2 0 350.467 0.233 20 0 FCADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000262868346 488597317 /nfs/dbraw/zinc/59/73/17/488597317.db2.gz XHZWRAFIIITPNP-QGZVFWFLSA-N 2 0 361.490 0.992 20 0 FCADRP CC1CCN(Cc2csc(NC(=O)CN3CCNCC3=O)n2)CC1 ZINC000563065224 491212265 /nfs/dbraw/zinc/21/22/65/491212265.db2.gz XRMQLVMOFRBWGJ-UHFFFAOYSA-N 2 0 351.476 0.745 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000570062600 491213942 /nfs/dbraw/zinc/21/39/42/491213942.db2.gz QCXUMDJMQIXUGC-SJORKVTESA-N 2 0 366.506 0.156 20 0 FCADRP C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129565710 488632052 /nfs/dbraw/zinc/63/20/52/488632052.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 2 0 366.550 0.295 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273159367 488635615 /nfs/dbraw/zinc/63/56/15/488635615.db2.gz ZCQGUMLUUANGLO-APWZRJJASA-N 2 0 361.486 0.838 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c(F)cc(F)cc1F ZINC000130545967 488638101 /nfs/dbraw/zinc/63/81/01/488638101.db2.gz WDYRKHKWRKLEBW-UHFFFAOYSA-N 2 0 360.380 0.994 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133305835 488658827 /nfs/dbraw/zinc/65/88/27/488658827.db2.gz MFFGTEPMPJNOMT-CABCVRRESA-N 2 0 362.478 0.468 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000133383346 488659344 /nfs/dbraw/zinc/65/93/44/488659344.db2.gz JBEYYLYUSQOXQX-UHFFFAOYSA-N 2 0 364.494 0.766 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662777 491216419 /nfs/dbraw/zinc/21/64/19/491216419.db2.gz XYSIUJTWJDCFFE-HOCLYGCPSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000136331716 488677202 /nfs/dbraw/zinc/67/72/02/488677202.db2.gz FZIMAONYLVVNAZ-QGZVFWFLSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccsc1 ZINC000264538432 488683603 /nfs/dbraw/zinc/68/36/03/488683603.db2.gz AHDPHQKKNSAYRW-HUUCEWRRSA-N 2 0 367.519 0.990 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000563113930 491217073 /nfs/dbraw/zinc/21/70/73/491217073.db2.gz XHJLLQFUISXFTQ-BVUBDWEXSA-N 2 0 351.495 0.353 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000274333629 488698981 /nfs/dbraw/zinc/69/89/81/488698981.db2.gz JHXZTFRJPKNTEE-UHFFFAOYSA-N 2 0 363.462 0.502 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151231178 488702890 /nfs/dbraw/zinc/70/28/90/488702890.db2.gz KBUAKZJWAPZFCU-UHFFFAOYSA-N 2 0 355.527 0.111 20 0 FCADRP Cc1nn(C)c(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000151399620 488704853 /nfs/dbraw/zinc/70/48/53/488704853.db2.gz KEUKLGGNUFIYLS-UHFFFAOYSA-N 2 0 366.510 0.707 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cn1 ZINC000563083434 491214359 /nfs/dbraw/zinc/21/43/59/491214359.db2.gz MWOJGXVAXVBPPG-QGZVFWFLSA-N 2 0 370.457 0.386 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000152622846 488720400 /nfs/dbraw/zinc/72/04/00/488720400.db2.gz HUXQJMKMPUJHKB-CQSZACIVSA-N 2 0 362.478 0.516 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000274614829 488723416 /nfs/dbraw/zinc/72/34/16/488723416.db2.gz DIVOTPHOYJLBRM-UHFFFAOYSA-N 2 0 352.479 0.740 20 0 FCADRP CN(C(=O)CSCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153634603 488733534 /nfs/dbraw/zinc/73/35/34/488733534.db2.gz LVSIHGCKZUBXLW-HZPDHXFCSA-N 2 0 370.563 0.825 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2nccn2C)CC1 ZINC000266967154 488748573 /nfs/dbraw/zinc/74/85/73/488748573.db2.gz YMYMUQPDJCSMDN-ZDUSSCGKSA-N 2 0 356.430 0.668 20 0 FCADRP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000157288489 488770305 /nfs/dbraw/zinc/77/03/05/488770305.db2.gz ZTQMKAVDAIEQDY-IAGOWNOFSA-N 2 0 362.474 0.592 20 0 FCADRP NC(=O)c1c[nH]c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000267280524 488773934 /nfs/dbraw/zinc/77/39/34/488773934.db2.gz VZXFMYGCNWRNTE-UHFFFAOYSA-N 2 0 356.430 0.451 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000158394223 488777972 /nfs/dbraw/zinc/77/79/72/488777972.db2.gz BVUGCQXDOWZMKY-QBPKDAKJSA-N 2 0 350.507 0.953 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000166456257 488811865 /nfs/dbraw/zinc/81/18/65/488811865.db2.gz OTPNGQHGVYSPMM-HNNXBMFYSA-N 2 0 352.504 0.675 20 0 FCADRP C[C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000167410836 488812253 /nfs/dbraw/zinc/81/22/53/488812253.db2.gz CROWUYSIROGSED-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000554749605 491223177 /nfs/dbraw/zinc/22/31/77/491223177.db2.gz WMMXJRLMVUZUNA-OAHLLOKOSA-N 2 0 364.465 0.914 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000171659257 488825596 /nfs/dbraw/zinc/82/55/96/488825596.db2.gz ZSWMWSSRZWFMEA-UHFFFAOYSA-N 2 0 372.513 0.961 20 0 FCADRP C[N@H+](CCN1CC[NH+](CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000171743206 488826947 /nfs/dbraw/zinc/82/69/47/488826947.db2.gz HNDCHUWCNHUNBC-UHFFFAOYSA-N 2 0 361.490 0.711 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000172595325 488835618 /nfs/dbraw/zinc/83/56/18/488835618.db2.gz KQJBTPFGGTWBTM-SFHVURJKSA-N 2 0 370.538 0.831 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172789149 488837841 /nfs/dbraw/zinc/83/78/41/488837841.db2.gz UZGQOLACIDISBH-SFHVURJKSA-N 2 0 374.533 0.346 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173580444 488843597 /nfs/dbraw/zinc/84/35/97/488843597.db2.gz GLJSPGPZPUMGNY-KRWDZBQOSA-N 2 0 356.511 0.709 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962245 488846393 /nfs/dbraw/zinc/84/63/93/488846393.db2.gz XEVOROUSEVRVQJ-AWEZNQCLSA-N 2 0 352.479 0.940 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)ccn2)C1 ZINC000174179361 488847971 /nfs/dbraw/zinc/84/79/71/488847971.db2.gz KWFOFRICCSYSPQ-GJZGRUSLSA-N 2 0 359.474 0.445 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000174778700 488851101 /nfs/dbraw/zinc/85/11/01/488851101.db2.gz MIHFGIPVSKVMHX-VQIMIIECSA-N 2 0 372.513 0.960 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCCC1 ZINC000182138765 488864175 /nfs/dbraw/zinc/86/41/75/488864175.db2.gz ZMZKUGKOKSQGSX-HNNXBMFYSA-N 2 0 364.494 0.764 20 0 FCADRP COCC1(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000279926710 488975595 /nfs/dbraw/zinc/97/55/95/488975595.db2.gz OWUDSZPPMPIDFJ-UHFFFAOYSA-N 2 0 361.490 0.466 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809467 491227179 /nfs/dbraw/zinc/22/71/79/491227179.db2.gz RJNPZWWIKFRIJC-YOEHRIQHSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364787382 489002197 /nfs/dbraw/zinc/00/21/97/489002197.db2.gz BWIOZTWMCGEHNE-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@@H+]1C1CC1 ZINC000570245345 491227825 /nfs/dbraw/zinc/22/78/25/491227825.db2.gz VWXGZWKQLWQQHS-GJZGRUSLSA-N 2 0 366.506 0.033 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509098 489011179 /nfs/dbraw/zinc/01/11/79/489011179.db2.gz JONJWUMCOHVJPL-DLBZAZTESA-N 2 0 360.506 0.930 20 0 FCADRP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)C1COC1 ZINC000330205855 489080287 /nfs/dbraw/zinc/08/02/87/489080287.db2.gz DTAXWHLZIYWIQN-IRXDYDNUSA-N 2 0 359.536 0.984 20 0 FCADRP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)C1COC1 ZINC000330205856 489080346 /nfs/dbraw/zinc/08/03/46/489080346.db2.gz DTAXWHLZIYWIQN-SJORKVTESA-N 2 0 359.536 0.984 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000570317154 491233490 /nfs/dbraw/zinc/23/34/90/491233490.db2.gz ZYYOGAFRIPPZRY-UHFFFAOYSA-N 2 0 353.511 0.572 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000330634716 489125733 /nfs/dbraw/zinc/12/57/33/489125733.db2.gz BZRPKGJYUGTBON-UHFFFAOYSA-N 2 0 368.522 0.233 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290287351 489127900 /nfs/dbraw/zinc/12/79/00/489127900.db2.gz BHFWFSDEWVWEBV-IAGOWNOFSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H](O)CC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000330681138 489131806 /nfs/dbraw/zinc/13/18/06/489131806.db2.gz GEUOHYYARTUKAC-BJWYYQGGSA-N 2 0 368.522 0.233 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCO1 ZINC000331385389 489204763 /nfs/dbraw/zinc/20/47/63/489204763.db2.gz KPDDSVVDSZAEND-BBWFWOEESA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367373450 489206711 /nfs/dbraw/zinc/20/67/11/489206711.db2.gz YNRVNSDJSINMAF-LSDHHAIUSA-N 2 0 356.478 0.707 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408587 489207801 /nfs/dbraw/zinc/20/78/01/489207801.db2.gz IWHNYXGFSNBGMU-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283146958 489219747 /nfs/dbraw/zinc/21/97/47/489219747.db2.gz CBTZXKKNLAAXNT-KRWDZBQOSA-N 2 0 364.490 0.490 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N1CCSC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000332768454 489227524 /nfs/dbraw/zinc/22/75/24/489227524.db2.gz JJALPJVLURXPOE-RBSFLKMASA-N 2 0 354.520 0.235 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCCn2ccnc2)CCN1CC(C)(C)O ZINC000297750559 489234680 /nfs/dbraw/zinc/23/46/80/489234680.db2.gz LMDWVGHUGSNVSF-HNNXBMFYSA-N 2 0 365.478 0.035 20 0 FCADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332971337 489252359 /nfs/dbraw/zinc/25/23/59/489252359.db2.gz DJPNHLMGJXIIKJ-BGTYHANMSA-N 2 0 368.522 0.461 20 0 FCADRP CN1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000332978818 489252943 /nfs/dbraw/zinc/25/29/43/489252943.db2.gz SRJGSVRNEHZTKT-CVEARBPZSA-N 2 0 352.479 0.356 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546529 489273112 /nfs/dbraw/zinc/27/31/12/489273112.db2.gz SCTADHGXFFCWQU-SZVBFZGTSA-N 2 0 370.497 0.976 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587962 489278245 /nfs/dbraw/zinc/27/82/45/489278245.db2.gz VIMYRFNJCTZINE-ROUUACIJSA-N 2 0 374.485 0.214 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000283676245 489290044 /nfs/dbraw/zinc/29/00/44/489290044.db2.gz FNWGIMACHUENJI-UHFFFAOYSA-N 2 0 365.478 0.096 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)o1 ZINC000298285677 489312269 /nfs/dbraw/zinc/31/22/69/489312269.db2.gz HTLMRDGWFMDUQC-QGZVFWFLSA-N 2 0 374.485 0.951 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075981 489313645 /nfs/dbraw/zinc/31/36/45/489313645.db2.gz CUWUBCXMYRUHFK-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000570489846 491244225 /nfs/dbraw/zinc/24/42/25/491244225.db2.gz NPCDHAQGLGPFID-OWCLPIDISA-N 2 0 355.479 0.582 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501162 491244660 /nfs/dbraw/zinc/24/46/60/491244660.db2.gz LBVKPRFNVDCQEJ-DOTOQJQBSA-N 2 0 359.474 0.238 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000286060632 489351628 /nfs/dbraw/zinc/35/16/28/489351628.db2.gz VYNBWZQPVXOYJB-AWEZNQCLSA-N 2 0 364.494 0.339 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000563481624 491250349 /nfs/dbraw/zinc/25/03/49/491250349.db2.gz FEKGYDZVIRNSRO-QGZVFWFLSA-N 2 0 371.551 0.342 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000286305352 489378045 /nfs/dbraw/zinc/37/80/45/489378045.db2.gz XQKYZOKDOHSXLZ-QGZVFWFLSA-N 2 0 362.474 0.630 20 0 FCADRP COc1cc(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)ccc1OCC[NH+](C)C ZINC000370648209 489385719 /nfs/dbraw/zinc/38/57/19/489385719.db2.gz OOZFFQCSRFNRBH-LSDHHAIUSA-N 2 0 351.447 0.629 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563532136 491252933 /nfs/dbraw/zinc/25/29/33/491252933.db2.gz IGSCQZKROVDQFS-JYJNAYRXSA-N 2 0 354.495 0.108 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000362962824 489407481 /nfs/dbraw/zinc/40/74/81/489407481.db2.gz WSIAXMDBSYWJRZ-SJORKVTESA-N 2 0 354.495 0.338 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000286605073 489408955 /nfs/dbraw/zinc/40/89/55/489408955.db2.gz XMCKZXHFSCDGEF-CQSZACIVSA-N 2 0 365.478 0.095 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363220629 489440775 /nfs/dbraw/zinc/44/07/75/489440775.db2.gz FQYKNUDSNLLQFB-SFHVURJKSA-N 2 0 367.538 0.568 20 0 FCADRP CN(C)C(=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299465850 489445055 /nfs/dbraw/zinc/44/50/55/489445055.db2.gz BGMKEHUBDGKDFZ-UHFFFAOYSA-N 2 0 362.478 0.371 20 0 FCADRP CNC(=O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299490074 489447473 /nfs/dbraw/zinc/44/74/73/489447473.db2.gz JJBRSVDBQFIQQY-UHFFFAOYSA-N 2 0 362.478 0.419 20 0 FCADRP COCCOCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299506178 489448894 /nfs/dbraw/zinc/44/88/94/489448894.db2.gz MQQIJZJNGAQSOF-UHFFFAOYSA-N 2 0 365.478 0.556 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000563616988 491258871 /nfs/dbraw/zinc/25/88/71/491258871.db2.gz RMRATHBHRSFWFZ-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(Cn1ccccc1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299598371 489460941 /nfs/dbraw/zinc/46/09/41/489460941.db2.gz VBOIHCWBKRVYNH-UHFFFAOYSA-N 2 0 355.442 0.572 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371225174 489468680 /nfs/dbraw/zinc/46/86/80/489468680.db2.gz GVOTXSZTIRRPPK-ROUUACIJSA-N 2 0 369.554 0.622 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000555570759 491256411 /nfs/dbraw/zinc/25/64/11/491256411.db2.gz MISICEVACBJEMN-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423093070 489492536 /nfs/dbraw/zinc/49/25/36/489492536.db2.gz FQKYPWPTDMLKTQ-LSDHHAIUSA-N 2 0 364.465 0.912 20 0 FCADRP COC[C@@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423096169 489492649 /nfs/dbraw/zinc/49/26/49/489492649.db2.gz HDDVOALTZMKNQO-GFCCVEGCSA-N 2 0 351.419 0.587 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423098580 489492904 /nfs/dbraw/zinc/49/29/04/489492904.db2.gz SIWQROWCKIYOQR-UHFFFAOYSA-N 2 0 364.465 0.913 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000423145946 489496538 /nfs/dbraw/zinc/49/65/38/489496538.db2.gz NEZTYZHAPQEJPK-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423149119 489497583 /nfs/dbraw/zinc/49/75/83/489497583.db2.gz XCRWLCBAGUCDBK-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162989 489497908 /nfs/dbraw/zinc/49/79/08/489497908.db2.gz LZXRPDOBPXPPDD-DLBZAZTESA-N 2 0 359.474 0.454 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000423158839 489498007 /nfs/dbraw/zinc/49/80/07/489498007.db2.gz DOBDISASQDWEKE-JKSUJKDBSA-N 2 0 362.474 0.546 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423163635 489498031 /nfs/dbraw/zinc/49/80/31/489498031.db2.gz NCTTWBLNLLHCIC-KRWDZBQOSA-N 2 0 359.474 0.326 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423158713 489498094 /nfs/dbraw/zinc/49/80/94/489498094.db2.gz XBESRCXZBWYJLB-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423163269 489498326 /nfs/dbraw/zinc/49/83/26/489498326.db2.gz MJQZUKGLGGIBOT-KBAYOESNSA-N 2 0 373.501 0.700 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000423169708 489498710 /nfs/dbraw/zinc/49/87/10/489498710.db2.gz KFMBVXDKYZGURD-XJKSGUPXSA-N 2 0 350.463 0.674 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423170284 489498935 /nfs/dbraw/zinc/49/89/35/489498935.db2.gz XRTDQQXSGWTVLV-KRWDZBQOSA-N 2 0 364.465 0.926 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000423165165 489499203 /nfs/dbraw/zinc/49/92/03/489499203.db2.gz APBBRZUNULBWHG-GOEBONIOSA-N 2 0 364.490 0.922 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423203186 489502255 /nfs/dbraw/zinc/50/22/55/489502255.db2.gz MJZVSRVXGPMSSC-AWEZNQCLSA-N 2 0 354.401 0.415 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423212134 489503251 /nfs/dbraw/zinc/50/32/51/489503251.db2.gz LQHXLVYAVSVKJI-XHSDSOJGSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423240085 489506325 /nfs/dbraw/zinc/50/63/25/489506325.db2.gz KFVAVQXVDCZANK-RRQGHBQHSA-N 2 0 362.449 0.631 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423252804 489507017 /nfs/dbraw/zinc/50/70/17/489507017.db2.gz UUKGMGISLVXNBY-JTDSTZFVSA-N 2 0 366.506 0.001 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423273126 489509656 /nfs/dbraw/zinc/50/96/56/489509656.db2.gz ZWMFKSVVJNIEKG-YESZJQIVSA-N 2 0 368.522 0.389 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423273125 489509977 /nfs/dbraw/zinc/50/99/77/489509977.db2.gz ZWMFKSVVJNIEKG-ULQDDVLXSA-N 2 0 368.522 0.389 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423270420 489510153 /nfs/dbraw/zinc/51/01/53/489510153.db2.gz WQAIGCILMCUNFS-GOSISDBHSA-N 2 0 354.495 0.015 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000423282278 489511450 /nfs/dbraw/zinc/51/14/50/489511450.db2.gz WJBUAWDRFPBOQC-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)nc1 ZINC000415128262 489512378 /nfs/dbraw/zinc/51/23/78/489512378.db2.gz SSPQNYZGEODJLH-OAHLLOKOSA-N 2 0 362.478 0.477 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423300245 489512856 /nfs/dbraw/zinc/51/28/56/489512856.db2.gz CWGJJMDVMNJTAO-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP CNc1nc(C)cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000424015821 489514770 /nfs/dbraw/zinc/51/47/70/489514770.db2.gz ARDGPLZQOYKJSO-UHFFFAOYSA-N 2 0 368.485 1.550 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1Cl ZINC000415376302 489516498 /nfs/dbraw/zinc/51/64/98/489516498.db2.gz YGKMQNBPHAZSTK-NSHDSACASA-N 2 0 354.838 0.779 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)c2)CC1 ZINC000415394346 489517661 /nfs/dbraw/zinc/51/76/61/489517661.db2.gz MGQVHWFRCIHGAC-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2)CC1 ZINC000415431490 489520440 /nfs/dbraw/zinc/52/04/40/489520440.db2.gz GMCIOMPOGKNKHJ-CRAIPNDOSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC[NH2+]1 ZINC000415436640 489521297 /nfs/dbraw/zinc/52/12/97/489521297.db2.gz OREPGHQEQXREDU-GFCCVEGCSA-N 2 0 352.410 0.525 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000425823285 489532002 /nfs/dbraw/zinc/53/20/02/489532002.db2.gz VUDSHDYMUUKBKT-GOEBONIOSA-N 2 0 374.489 0.641 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415644551 489539457 /nfs/dbraw/zinc/53/94/57/489539457.db2.gz KYLDQFHBSPLYHW-WMZOPIPTSA-N 2 0 373.501 0.759 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415656501 489539578 /nfs/dbraw/zinc/53/95/78/489539578.db2.gz PDSVDLGBBKKAPG-HNNXBMFYSA-N 2 0 361.490 0.927 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415653298 489539601 /nfs/dbraw/zinc/53/96/01/489539601.db2.gz FWPFMBKGILZEDG-GFCCVEGCSA-N 2 0 354.426 0.819 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372115462 489546802 /nfs/dbraw/zinc/54/68/02/489546802.db2.gz GQDQMLKWZAQZMF-WMZOPIPTSA-N 2 0 351.491 0.811 20 0 FCADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372115461 489547036 /nfs/dbraw/zinc/54/70/36/489547036.db2.gz GQDQMLKWZAQZMF-SJLPKXTDSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415759041 489550824 /nfs/dbraw/zinc/55/08/24/489550824.db2.gz JHBRFAWAPNDGAE-PIIMJCKOSA-N 2 0 356.470 0.988 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)ccc1OCC[NH+](C)C ZINC000415791002 489553179 /nfs/dbraw/zinc/55/31/79/489553179.db2.gz QEZNMYNGUBTKCU-CYBMUJFWSA-N 2 0 372.416 0.973 20 0 FCADRP O=C(C[N@H+]1CCC[C@@H]1CCO)NCC1(N2CCOCC2)CCCCC1 ZINC000426227701 489559995 /nfs/dbraw/zinc/55/99/95/489559995.db2.gz NJRKXGPSHBZWTJ-QGZVFWFLSA-N 2 0 353.507 0.985 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000415859986 489560414 /nfs/dbraw/zinc/56/04/14/489560414.db2.gz UTGUVSNWRZVUED-QGZVFWFLSA-N 2 0 361.490 0.487 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000555660235 491263091 /nfs/dbraw/zinc/26/30/91/491263091.db2.gz FPKGCOQXWCRYNX-QGZVFWFLSA-N 2 0 370.538 0.694 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000415964459 489566628 /nfs/dbraw/zinc/56/66/28/489566628.db2.gz SQMAUUCJDOAKLG-UKRRQHHQSA-N 2 0 374.489 0.607 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+]1CCN(C)CC1 ZINC000415992762 489567580 /nfs/dbraw/zinc/56/75/80/489567580.db2.gz HQNAZMKCNLMCDL-QWHCGFSZSA-N 2 0 353.433 0.837 20 0 FCADRP [NH3+]CC[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(F)(F)F ZINC000416050923 489567922 /nfs/dbraw/zinc/56/79/22/489567922.db2.gz SJWGXNDGLIDWEU-GFCCVEGCSA-N 2 0 367.416 0.558 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)[N@H+]1C ZINC000454475823 489571225 /nfs/dbraw/zinc/57/12/25/489571225.db2.gz BBUCUPSYPNSUBG-GASCZTMLSA-N 2 0 353.511 0.663 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426550019 489574544 /nfs/dbraw/zinc/57/45/44/489574544.db2.gz VNRGSMIUZXRKLY-CVEARBPZSA-N 2 0 354.495 0.120 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426572307 489575479 /nfs/dbraw/zinc/57/54/79/489575479.db2.gz BCVFIFXNOZZMFO-IRXDYDNUSA-N 2 0 356.511 0.584 20 0 FCADRP COc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000416335667 489583700 /nfs/dbraw/zinc/58/37/00/489583700.db2.gz WCJYUSQXOTVHBD-MRXNPFEDSA-N 2 0 362.474 0.964 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427261956 489599677 /nfs/dbraw/zinc/59/96/77/489599677.db2.gz CIDJWFWTIXEZPY-CQSZACIVSA-N 2 0 362.478 0.641 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676038 489622742 /nfs/dbraw/zinc/62/27/42/489622742.db2.gz XNGGGVZJIFCTRZ-RYRKJORJSA-N 2 0 365.522 0.175 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000427878803 489625778 /nfs/dbraw/zinc/62/57/78/489625778.db2.gz AUKBXCZDYOCWPI-GASCZTMLSA-N 2 0 360.458 0.586 20 0 FCADRP COc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000416804008 489629857 /nfs/dbraw/zinc/62/98/57/489629857.db2.gz CTMABKKNCDRYEQ-GJZGRUSLSA-N 2 0 366.462 0.676 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810609 489629861 /nfs/dbraw/zinc/62/98/61/489629861.db2.gz QYGVCYUVYXYTQM-IAGOWNOFSA-N 2 0 361.490 0.786 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000416796306 489629936 /nfs/dbraw/zinc/62/99/36/489629936.db2.gz ADUWIPOKOGWDSK-MRXNPFEDSA-N 2 0 353.511 0.572 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCCC1 ZINC000416814033 489629958 /nfs/dbraw/zinc/62/99/58/489629958.db2.gz FMFDBOVMURTPCJ-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416796665 489630080 /nfs/dbraw/zinc/63/00/80/489630080.db2.gz AYASNIYCORPTBZ-ZDUSSCGKSA-N 2 0 353.433 0.854 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000416950424 489635222 /nfs/dbraw/zinc/63/52/22/489635222.db2.gz RDSJZGYYXGCZJY-IXDOHACOSA-N 2 0 353.511 0.175 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416961864 489636817 /nfs/dbraw/zinc/63/68/17/489636817.db2.gz SQTQAEVLEXOCHL-KRWDZBQOSA-N 2 0 355.527 0.328 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417016397 489638673 /nfs/dbraw/zinc/63/86/73/489638673.db2.gz GCSWZQSIOFUUSZ-ZACQAIPSSA-N 2 0 367.538 0.851 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000417062666 489640374 /nfs/dbraw/zinc/64/03/74/489640374.db2.gz HDISRMOGSIWLOI-KRWDZBQOSA-N 2 0 361.490 0.745 20 0 FCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417090715 489640651 /nfs/dbraw/zinc/64/06/51/489640651.db2.gz XZZIYNAPTIFWQK-NUJGCVRESA-N 2 0 367.538 0.909 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000417150667 489644115 /nfs/dbraw/zinc/64/41/15/489644115.db2.gz GQCGQRVKRBVJDT-KBPBESRZSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000417212055 489645053 /nfs/dbraw/zinc/64/50/53/489645053.db2.gz HJNFCWMDHSAHGJ-GJYPPUQNSA-N 2 0 367.538 0.993 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417400415 489651049 /nfs/dbraw/zinc/65/10/49/489651049.db2.gz YPXLUZVKAPBUQM-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP CCCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000417427971 489651740 /nfs/dbraw/zinc/65/17/40/489651740.db2.gz KBOHSVGPCLBLBE-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417419657 489651924 /nfs/dbraw/zinc/65/19/24/489651924.db2.gz DGKXPMWGAYTAPA-CVEARBPZSA-N 2 0 353.511 0.618 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417429829 489652297 /nfs/dbraw/zinc/65/22/97/489652297.db2.gz NXPJUURGAXYHJL-XHSDSOJGSA-N 2 0 353.511 0.616 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417429273 489652781 /nfs/dbraw/zinc/65/27/81/489652781.db2.gz MTKUCNFEGRZLRF-GVDBMIGSSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417449768 489654836 /nfs/dbraw/zinc/65/48/36/489654836.db2.gz ANIAPBZDYMADRK-LSDHHAIUSA-N 2 0 361.490 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000417449764 489655100 /nfs/dbraw/zinc/65/51/00/489655100.db2.gz ANIAPBZDYMADRK-CABCVRRESA-N 2 0 361.490 0.870 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000417479364 489655343 /nfs/dbraw/zinc/65/53/43/489655343.db2.gz UCYZZGXQMMYECV-INIZCTEOSA-N 2 0 361.490 0.777 20 0 FCADRP CC[N@H+](CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000417467059 489655580 /nfs/dbraw/zinc/65/55/80/489655580.db2.gz VPNSIFUFETVQPD-ZDUSSCGKSA-N 2 0 353.433 0.852 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000428591785 489655854 /nfs/dbraw/zinc/65/58/54/489655854.db2.gz AFLUYGGABAZIAH-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)C1 ZINC000417543684 489657525 /nfs/dbraw/zinc/65/75/25/489657525.db2.gz GHUOZRRLQSKRBI-MSOLQXFVSA-N 2 0 373.501 0.935 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)C1 ZINC000417543293 489657919 /nfs/dbraw/zinc/65/79/19/489657919.db2.gz FTENGLVHIQRRDD-QZTJIDSGSA-N 2 0 373.501 0.920 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)[N@H+](C)C1CC1 ZINC000417550472 489658081 /nfs/dbraw/zinc/65/80/81/489658081.db2.gz LKJKGYHBTQTEFO-HLLBOEOZSA-N 2 0 365.522 0.759 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)c2)C1 ZINC000417550570 489658449 /nfs/dbraw/zinc/65/84/49/489658449.db2.gz VSRBCOGUMCFPLP-ROUUACIJSA-N 2 0 373.501 0.920 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000417648711 489660495 /nfs/dbraw/zinc/66/04/95/489660495.db2.gz OTICMQJQVKIXBV-KRWDZBQOSA-N 2 0 369.554 0.454 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428688798 489660647 /nfs/dbraw/zinc/66/06/47/489660647.db2.gz PAQGIXMYJZXSGE-MRXNPFEDSA-N 2 0 365.522 0.747 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417694771 489661670 /nfs/dbraw/zinc/66/16/70/489661670.db2.gz DVUVFEVTGJXBKV-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000417732582 489663288 /nfs/dbraw/zinc/66/32/88/489663288.db2.gz HKRGAENOBIXAAX-UHFFFAOYSA-N 2 0 359.518 0.680 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H]1[NH3+] ZINC000417835677 489668057 /nfs/dbraw/zinc/66/80/57/489668057.db2.gz GQSSGSKQXMYMJQ-UKRRQHHQSA-N 2 0 353.511 0.602 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1=O ZINC000428956948 489668497 /nfs/dbraw/zinc/66/84/97/489668497.db2.gz ZICALADQDJVLME-QBPKDAKJSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)CCC(F)(F)F ZINC000418077318 489677936 /nfs/dbraw/zinc/67/79/36/489677936.db2.gz LNIQISPAXAVAOG-CQSZACIVSA-N 2 0 365.444 0.950 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000458406346 489681287 /nfs/dbraw/zinc/68/12/87/489681287.db2.gz CBKPRFWMAMNKCG-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265563 489683296 /nfs/dbraw/zinc/68/32/96/489683296.db2.gz VFHHJWDGVNDFCT-HNNXBMFYSA-N 2 0 362.478 0.689 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418201133 489684988 /nfs/dbraw/zinc/68/49/88/489684988.db2.gz RLICWBOHSCNCMR-LXZKKBNFSA-N 2 0 353.511 0.661 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418377658 489694606 /nfs/dbraw/zinc/69/46/06/489694606.db2.gz HJHSJIBATLWJSW-IRXDYDNUSA-N 2 0 361.490 0.327 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418385358 489695641 /nfs/dbraw/zinc/69/56/41/489695641.db2.gz PJKSTQDDSKYFKU-CVEARBPZSA-N 2 0 353.511 0.923 20 0 FCADRP CN1CCN(C(=O)CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000429674580 489696804 /nfs/dbraw/zinc/69/68/04/489696804.db2.gz YYSULIQFPQAZNY-UHFFFAOYSA-N 2 0 352.523 0.727 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155233 489697738 /nfs/dbraw/zinc/69/77/38/489697738.db2.gz ZJSUZQPHOPUOEF-YJBOKZPZSA-N 2 0 351.495 0.311 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418431017 489698301 /nfs/dbraw/zinc/69/83/01/489698301.db2.gz VYRUZKFLVPSIEP-OAHLLOKOSA-N 2 0 353.511 0.842 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000418513182 489702560 /nfs/dbraw/zinc/70/25/60/489702560.db2.gz URTKYLCWMIKPQU-CALCHBBNSA-N 2 0 355.527 0.422 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418605629 489709836 /nfs/dbraw/zinc/70/98/36/489709836.db2.gz AYCSSHMMDXZKSW-KBPBESRZSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+]C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1CCCC1 ZINC000418621972 489711905 /nfs/dbraw/zinc/71/19/05/489711905.db2.gz MLPOYDLFSOWAJU-INIZCTEOSA-N 2 0 353.511 0.795 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624585 489712571 /nfs/dbraw/zinc/71/25/71/489712571.db2.gz ZCOHZBSJWNCJHP-KGLIPLIRSA-N 2 0 365.444 0.806 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000418641879 489714420 /nfs/dbraw/zinc/71/44/20/489714420.db2.gz SSIZESHLGHHBIF-IBGZPJMESA-N 2 0 368.522 0.899 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418690871 489717930 /nfs/dbraw/zinc/71/79/30/489717930.db2.gz XKLXFYPZWWYTNL-JYJNAYRXSA-N 2 0 353.511 0.781 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000418715159 489719613 /nfs/dbraw/zinc/71/96/13/489719613.db2.gz IGDNGBUVUAZFCI-JKSUJKDBSA-N 2 0 351.495 0.454 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418724682 489720385 /nfs/dbraw/zinc/72/03/85/489720385.db2.gz OLVXTOOWINVUCP-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418760964 489723089 /nfs/dbraw/zinc/72/30/89/489723089.db2.gz FPZWVYDVFBRJHI-CVEARBPZSA-N 2 0 351.495 0.467 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418756086 489723219 /nfs/dbraw/zinc/72/32/19/489723219.db2.gz COFVMWJAOWZSLN-BZSNNMDCSA-N 2 0 362.474 0.157 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC[NH+]1CCCCCC1 ZINC000418793676 489728452 /nfs/dbraw/zinc/72/84/52/489728452.db2.gz OWNNJXRMJMMXFZ-BRWVUGGUSA-N 2 0 365.522 0.666 20 0 FCADRP NC(=O)Cn1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000459357799 489729111 /nfs/dbraw/zinc/72/91/11/489729111.db2.gz ALTKTTIOUVSWPJ-UHFFFAOYSA-N 2 0 371.489 0.061 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418800192 489730596 /nfs/dbraw/zinc/73/05/96/489730596.db2.gz INCVYQKYWNQMBD-UHFFFAOYSA-N 2 0 368.522 0.501 20 0 FCADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418804883 489730829 /nfs/dbraw/zinc/73/08/29/489730829.db2.gz ZPBMXNADCCDOBY-IAGOWNOFSA-N 2 0 350.463 0.976 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418809087 489734005 /nfs/dbraw/zinc/73/40/05/489734005.db2.gz FUWHSBVVFUZYLC-DLBZAZTESA-N 2 0 362.474 0.290 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000418811277 489734614 /nfs/dbraw/zinc/73/46/14/489734614.db2.gz VQAJILAARPLCOM-ARFHVFGLSA-N 2 0 350.507 0.729 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000418819686 489737248 /nfs/dbraw/zinc/73/72/48/489737248.db2.gz KDTVOJPPXZMGNT-LSDHHAIUSA-N 2 0 354.495 0.189 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+](C)C)cc1 ZINC000418825175 489740579 /nfs/dbraw/zinc/74/05/79/489740579.db2.gz UERCKBFPVGPYRE-KSZLIROESA-N 2 0 358.486 0.782 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000563890894 491275503 /nfs/dbraw/zinc/27/55/03/491275503.db2.gz UNWRTXAJRWFJHQ-LTIDMASMSA-N 2 0 358.490 0.573 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000563890898 491275551 /nfs/dbraw/zinc/27/55/51/491275551.db2.gz UNWRTXAJRWFJHQ-YYIAUSFCSA-N 2 0 358.490 0.573 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000418826669 489741008 /nfs/dbraw/zinc/74/10/08/489741008.db2.gz GHNBUXWDACKUEB-KGLIPLIRSA-N 2 0 352.504 0.973 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[NH+]1CCCC1 ZINC000418825575 489741394 /nfs/dbraw/zinc/74/13/94/489741394.db2.gz ACHUPUANRSHCHD-QGZVFWFLSA-N 2 0 374.485 0.898 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418827802 489742260 /nfs/dbraw/zinc/74/22/60/489742260.db2.gz HCWXOKXDBVFELS-MRXNPFEDSA-N 2 0 368.522 0.771 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCCC1 ZINC000418833235 489745813 /nfs/dbraw/zinc/74/58/13/489745813.db2.gz HYIYLPNQAOTFKX-RDJZCZTQSA-N 2 0 374.485 0.769 20 0 FCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000430571654 489746859 /nfs/dbraw/zinc/74/68/59/489746859.db2.gz OQCBZBAGZOPEAU-ZDUSSCGKSA-N 2 0 350.467 0.129 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418835896 489746976 /nfs/dbraw/zinc/74/69/76/489746976.db2.gz QFDWTWGOKFQWTO-TZMCWYRMSA-N 2 0 366.462 0.228 20 0 FCADRP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000430584271 489748632 /nfs/dbraw/zinc/74/86/32/489748632.db2.gz ORXIMYBCBYHQRK-GOSISDBHSA-N 3 0 354.539 0.781 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838032 489749048 /nfs/dbraw/zinc/74/90/48/489749048.db2.gz ACQGMCLPYUOHTF-OCCSQVGLSA-N 2 0 354.495 0.595 20 0 FCADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430595167 489749209 /nfs/dbraw/zinc/74/92/09/489749209.db2.gz MAVVGLDQIYLOEJ-ZDUSSCGKSA-N 2 0 368.503 0.983 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000418839637 489749670 /nfs/dbraw/zinc/74/96/70/489749670.db2.gz DGWJGODTYMKAMM-WBVHZDCISA-N 2 0 362.474 0.625 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418839907 489750401 /nfs/dbraw/zinc/75/04/01/489750401.db2.gz DTYLQAOJSAVYQW-ZWKOTPCHSA-N 2 0 374.485 0.434 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418839955 489750598 /nfs/dbraw/zinc/75/05/98/489750598.db2.gz DVYMRVQYZQDUGG-WMLDXEAASA-N 2 0 362.474 0.530 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418841019 489751481 /nfs/dbraw/zinc/75/14/81/489751481.db2.gz GAOHCYPXZQBMCR-ZOBUZTSGSA-N 2 0 362.474 0.800 20 0 FCADRP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606565 489752219 /nfs/dbraw/zinc/75/22/19/489752219.db2.gz WHUWOCGZAZHLSB-FUHWJXTLSA-N 2 0 360.502 0.829 20 0 FCADRP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608517 489752254 /nfs/dbraw/zinc/75/22/54/489752254.db2.gz FSKFMFRFNSVPIR-FUHWJXTLSA-N 2 0 360.502 0.829 20 0 FCADRP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608518 489752632 /nfs/dbraw/zinc/75/26/32/489752632.db2.gz FSKFMFRFNSVPIR-SJLPKXTDSA-N 2 0 360.502 0.829 20 0 FCADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613945 489753229 /nfs/dbraw/zinc/75/32/29/489753229.db2.gz XVJGQXQBSNYIBY-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430619245 489754927 /nfs/dbraw/zinc/75/49/27/489754927.db2.gz AHYKPHGPUWDDAE-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418849759 489755165 /nfs/dbraw/zinc/75/51/65/489755165.db2.gz NFCQFZPPHRSTKC-KSZLIROESA-N 2 0 358.486 0.343 20 0 FCADRP [NH3+]CC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000430622363 489756209 /nfs/dbraw/zinc/75/62/09/489756209.db2.gz LHHVWDCZKZNUBQ-UHFFFAOYSA-N 2 0 374.485 0.446 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418852803 489757387 /nfs/dbraw/zinc/75/73/87/489757387.db2.gz RGVDFHLCVPXDCZ-GOSISDBHSA-N 2 0 358.486 0.702 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418852804 489757632 /nfs/dbraw/zinc/75/76/32/489757632.db2.gz RGVDFHLCVPXDCZ-SFHVURJKSA-N 2 0 358.486 0.702 20 0 FCADRP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626720 489757971 /nfs/dbraw/zinc/75/79/71/489757971.db2.gz MGHZJRWQMNTLPP-RBSFLKMASA-N 2 0 367.494 0.178 20 0 FCADRP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630643 489758076 /nfs/dbraw/zinc/75/80/76/489758076.db2.gz RSUITSAAGGAYJT-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000418855228 489758618 /nfs/dbraw/zinc/75/86/18/489758618.db2.gz ULQPMDXLAFUGBR-GOSISDBHSA-N 2 0 360.502 0.734 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418855852 489759775 /nfs/dbraw/zinc/75/97/75/489759775.db2.gz VSTMPFJOUZAVIN-QZTJIDSGSA-N 2 0 360.502 0.734 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[NH+](C)C)c1 ZINC000418858044 489761661 /nfs/dbraw/zinc/76/16/61/489761661.db2.gz IJGVLTPOUNACRU-APWZRJJASA-N 2 0 362.474 0.611 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418866225 489764259 /nfs/dbraw/zinc/76/42/59/489764259.db2.gz SJTJBESHVAFFCW-KRWDZBQOSA-N 2 0 360.458 0.450 20 0 FCADRP Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nnn1C1CC[NH2+]CC1 ZINC000430681652 489764897 /nfs/dbraw/zinc/76/48/97/489764897.db2.gz FIRPZMWJVKHRMS-INIZCTEOSA-N 2 0 352.508 0.678 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000430711214 489765378 /nfs/dbraw/zinc/76/53/78/489765378.db2.gz DNLCGGZJTNYRJP-UAGQMJEPSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418867964 489766218 /nfs/dbraw/zinc/76/62/18/489766218.db2.gz VKCCHZTYRYWZSV-KBPBESRZSA-N 2 0 350.488 0.808 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[NH+](C)C)c1 ZINC000418868377 489766839 /nfs/dbraw/zinc/76/68/39/489766839.db2.gz VXGUTCLNALMQKL-NVXWUHKLSA-N 2 0 362.474 0.672 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418871277 489768227 /nfs/dbraw/zinc/76/82/27/489768227.db2.gz VEQWAZLLLBEMKU-GJZGRUSLSA-N 2 0 354.495 0.189 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)c1 ZINC000418875603 489769413 /nfs/dbraw/zinc/76/94/13/489769413.db2.gz KXERZHOEDIVYHO-QAPCUYQASA-N 2 0 374.485 0.769 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418875550 489769877 /nfs/dbraw/zinc/76/98/77/489769877.db2.gz KPWNOQOPMVUZIL-FUHWJXTLSA-N 2 0 374.485 0.817 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000418877361 489770648 /nfs/dbraw/zinc/77/06/48/489770648.db2.gz OMNFVLHNUPCCNM-ROUUACIJSA-N 2 0 360.502 0.876 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418877353 489770689 /nfs/dbraw/zinc/77/06/89/489770689.db2.gz OLRQJPDYRVPHNZ-RDJZCZTQSA-N 2 0 360.458 0.426 20 0 FCADRP CC(C)CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000459870236 489775684 /nfs/dbraw/zinc/77/56/84/489775684.db2.gz QZDZYNRWGKBYOO-GOSISDBHSA-N 2 0 364.534 0.977 20 0 FCADRP COCCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000474658070 489777725 /nfs/dbraw/zinc/77/77/25/489777725.db2.gz GKMAHEWWKAMKHH-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCCCC1 ZINC000418896610 489780060 /nfs/dbraw/zinc/78/00/60/489780060.db2.gz FZKZOPTYSYGKLY-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431035572 489786727 /nfs/dbraw/zinc/78/67/27/489786727.db2.gz SVQAWFRBZRXZEU-CYBMUJFWSA-N 2 0 366.487 0.737 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459908583 489787278 /nfs/dbraw/zinc/78/72/78/489787278.db2.gz QPIISSOCBNGGGE-IAGOWNOFSA-N 2 0 352.523 0.975 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418912544 489787822 /nfs/dbraw/zinc/78/78/22/489787822.db2.gz DGWQNBSXLKPRPU-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916670 489789665 /nfs/dbraw/zinc/78/96/65/489789665.db2.gz XGRCXOACJTXUQR-SWLSCSKDSA-N 2 0 370.856 0.924 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000490995008 489792202 /nfs/dbraw/zinc/79/22/02/489792202.db2.gz MYBKZPGQBKHPJZ-IEBWSBKVSA-N 2 0 365.566 0.545 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000459921171 489793937 /nfs/dbraw/zinc/79/39/37/489793937.db2.gz OKDVNNFJNAIHPD-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000459921866 489794605 /nfs/dbraw/zinc/79/46/05/489794605.db2.gz PPEUGRYETRVVPX-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418940898 489796801 /nfs/dbraw/zinc/79/68/01/489796801.db2.gz JTCCEWKCOQFZCB-SJORKVTESA-N 2 0 362.474 0.199 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418939400 489796872 /nfs/dbraw/zinc/79/68/72/489796872.db2.gz RGFQCSPPOHLLSL-INIZCTEOSA-N 2 0 354.495 0.254 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418940806 489797003 /nfs/dbraw/zinc/79/70/03/489797003.db2.gz UKYLHGVJVXPRRU-IAGOWNOFSA-N 2 0 350.507 0.827 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418939401 489797046 /nfs/dbraw/zinc/79/70/46/489797046.db2.gz RGFQCSPPOHLLSL-MRXNPFEDSA-N 2 0 354.495 0.254 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418939052 489797136 /nfs/dbraw/zinc/79/71/36/489797136.db2.gz QJHWBFRAMSTTIX-SJORKVTESA-N 2 0 368.522 0.724 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941813 489797865 /nfs/dbraw/zinc/79/78/65/489797865.db2.gz WKSRAIILFADLQZ-HOTGVXAUSA-N 2 0 368.522 0.988 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418942232 489797975 /nfs/dbraw/zinc/79/79/75/489797975.db2.gz ASEKDJQJENSZHO-ISWURRPUSA-N 2 0 362.449 0.678 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000418951831 489802314 /nfs/dbraw/zinc/80/23/14/489802314.db2.gz XZQCIPFMNXWJGF-GJZGRUSLSA-N 2 0 350.463 0.895 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000418956859 489803583 /nfs/dbraw/zinc/80/35/83/489803583.db2.gz CUGUNNANNUGIPI-UHFFFAOYSA-N 2 0 374.485 0.599 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418956895 489803848 /nfs/dbraw/zinc/80/38/48/489803848.db2.gz SUTSJWDEXZCOJH-BRWVUGGUSA-N 2 0 368.522 0.504 20 0 FCADRP CCC(=O)N1CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000475062682 489804356 /nfs/dbraw/zinc/80/43/56/489804356.db2.gz HWWYMOLEMWNHPB-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000418959956 489804598 /nfs/dbraw/zinc/80/45/98/489804598.db2.gz IGQCYITVCXCZLF-AYHJJNSGSA-N 2 0 358.486 0.976 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419000396 489813282 /nfs/dbraw/zinc/81/32/82/489813282.db2.gz OHXOTGWVLLEQMT-CVEARBPZSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419015692 489818958 /nfs/dbraw/zinc/81/89/58/489818958.db2.gz LJWBWJBIMYHMDW-QGZVFWFLSA-N 2 0 362.474 0.249 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419019387 489820261 /nfs/dbraw/zinc/82/02/61/489820261.db2.gz DIRBYJVLAISCSI-LXTVHRRPSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022315 489821400 /nfs/dbraw/zinc/82/14/00/489821400.db2.gz IEOAJWLWHYWBBL-ILXRZTDVSA-N 2 0 368.522 0.842 20 0 FCADRP O=C(NCCn1ccnc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000563978919 491281201 /nfs/dbraw/zinc/28/12/01/491281201.db2.gz OBTKPFRRDCSGHC-UHFFFAOYSA-N 2 0 356.361 0.641 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419032709 489826316 /nfs/dbraw/zinc/82/63/16/489826316.db2.gz KKBCNPXPLWFJNN-CQSZACIVSA-N 2 0 356.536 0.708 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419034210 489827696 /nfs/dbraw/zinc/82/76/96/489827696.db2.gz DITGMQYADMTMGP-PMPSAXMXSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419034028 489827817 /nfs/dbraw/zinc/82/78/17/489827817.db2.gz YYIVQSXTFXNRSP-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419036014 489828262 /nfs/dbraw/zinc/82/82/62/489828262.db2.gz GALZTVNEBYNHAW-QAETUUGQSA-N 2 0 368.522 0.448 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000419045707 489832896 /nfs/dbraw/zinc/83/28/96/489832896.db2.gz WZTPNJWLGVVXMS-JYJNAYRXSA-N 2 0 356.511 0.339 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000475565272 489837124 /nfs/dbraw/zinc/83/71/24/489837124.db2.gz DCDYTBJCXJEZDL-UHFFFAOYSA-N 2 0 365.478 0.889 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419056063 489837581 /nfs/dbraw/zinc/83/75/81/489837581.db2.gz KQXDHNFXTRCOFV-USXIJHARSA-N 2 0 362.474 0.103 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431865 489841586 /nfs/dbraw/zinc/84/15/86/489841586.db2.gz FHHAYESQAFRTDN-IAGOWNOFSA-N 2 0 365.522 0.905 20 0 FCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000419065492 489841677 /nfs/dbraw/zinc/84/16/77/489841677.db2.gz ADNLKHJANXOIBE-QZTJIDSGSA-N 2 0 374.485 0.467 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419066554 489842441 /nfs/dbraw/zinc/84/24/41/489842441.db2.gz FJUXOWWLHJKAIU-GOSISDBHSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000432537570 489845824 /nfs/dbraw/zinc/84/58/24/489845824.db2.gz ZMHGEYNNJXDKBY-IVMMDQJWSA-N 2 0 350.438 0.478 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000571053927 491282697 /nfs/dbraw/zinc/28/26/97/491282697.db2.gz VFBQSPTXOQHNBH-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000460084191 489847462 /nfs/dbraw/zinc/84/74/62/489847462.db2.gz UENKCJOGAZCAFA-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)[C@@H](C)C[NH2+]1 ZINC000419076178 489847651 /nfs/dbraw/zinc/84/76/51/489847651.db2.gz NUIFNBMPHPGANW-WWGRRREGSA-N 2 0 373.432 0.974 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419103968 489855979 /nfs/dbraw/zinc/85/59/79/489855979.db2.gz GUTUOVXBWCFLNW-WBMJQRKESA-N 2 0 350.438 0.618 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419103903 489856389 /nfs/dbraw/zinc/85/63/89/489856389.db2.gz GPMHVDNAAFZHMG-MFKMUULPSA-N 2 0 360.380 0.888 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000419111403 489859992 /nfs/dbraw/zinc/85/99/92/489859992.db2.gz OOCJRSMQBPZWBH-CHWSQXEVSA-N 2 0 350.438 0.712 20 0 FCADRP C[N@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CCSC1 ZINC000493946524 489863483 /nfs/dbraw/zinc/86/34/83/489863483.db2.gz DLKUFGJPNGSCDK-LSDHHAIUSA-N 2 0 354.520 0.189 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000419120627 489865112 /nfs/dbraw/zinc/86/51/12/489865112.db2.gz ZSGCOLRNCDKUNB-LJQANCHMSA-N 2 0 362.449 0.716 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120153 489866888 /nfs/dbraw/zinc/86/68/88/489866888.db2.gz XXGVYPZJVXMAME-INIZCTEOSA-N 3 0 352.523 0.901 20 0 FCADRP CC(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC000433124485 489867694 /nfs/dbraw/zinc/86/76/94/489867694.db2.gz CUBOIUDGPPJUPY-KRWDZBQOSA-N 2 0 354.495 0.189 20 0 FCADRP CCc1nsc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433170485 489870070 /nfs/dbraw/zinc/87/00/70/489870070.db2.gz WZRMYAIGGCHDEM-UHFFFAOYSA-N 2 0 366.535 0.952 20 0 FCADRP CCO[C@H]1C[C@H](O)C12CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433174623 489871155 /nfs/dbraw/zinc/87/11/55/489871155.db2.gz NPIAYIGXKPJQPN-IRXDYDNUSA-N 2 0 353.507 0.968 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419979360 489872547 /nfs/dbraw/zinc/87/25/47/489872547.db2.gz PHFDLHUYSAKCBR-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000419988933 489873839 /nfs/dbraw/zinc/87/38/39/489873839.db2.gz AMGKGGUAEOQUBP-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](CNC(=O)CC1(C(=O)NC[C@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000494244503 489876846 /nfs/dbraw/zinc/87/68/46/489876846.db2.gz JGISTKQHYIMMSE-GJZGRUSLSA-N 2 0 356.511 0.306 20 0 FCADRP CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433349205 489877076 /nfs/dbraw/zinc/87/70/76/489877076.db2.gz BGWLKEYZRJWQTK-UHFFFAOYSA-N 2 0 354.520 0.664 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000433383832 489880789 /nfs/dbraw/zinc/88/07/89/489880789.db2.gz UMYRCTCJZWPWHJ-QLFBSQMISA-N 2 0 350.467 0.432 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420020110 489882514 /nfs/dbraw/zinc/88/25/14/489882514.db2.gz RPNLTZIILOCIAN-DOTOQJQBSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420025338 489884455 /nfs/dbraw/zinc/88/44/55/489884455.db2.gz BKAUGFKKEYIYHT-SOUVJXGZSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000420028276 489885781 /nfs/dbraw/zinc/88/57/81/489885781.db2.gz DDGBHMFAUAMACP-USXIJHARSA-N 2 0 374.485 0.731 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433470148 489888159 /nfs/dbraw/zinc/88/81/59/489888159.db2.gz YGWVWOTXMGEDSS-MSOLQXFVSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000420044154 489891621 /nfs/dbraw/zinc/89/16/21/489891621.db2.gz SOZLKFJDWWGGKJ-BPUTZDHNSA-N 2 0 366.506 0.406 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420043629 489891728 /nfs/dbraw/zinc/89/17/28/489891728.db2.gz SBKYOTANZRKLAD-CABCVRRESA-N 2 0 354.495 0.550 20 0 FCADRP CCN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420067702 489901061 /nfs/dbraw/zinc/90/10/61/489901061.db2.gz SUNITWAHYTWIPI-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420076097 489904493 /nfs/dbraw/zinc/90/44/93/489904493.db2.gz LJCCSAJPMMDDKW-KBPBESRZSA-N 2 0 354.495 0.188 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420085490 489906445 /nfs/dbraw/zinc/90/64/45/489906445.db2.gz XNHMFKJJQCWCDS-CQSZACIVSA-N 2 0 354.495 0.332 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000564062987 491286373 /nfs/dbraw/zinc/28/63/73/491286373.db2.gz JCHWDFVCHBUUIG-GOSISDBHSA-N 2 0 363.506 0.510 20 0 FCADRP CC1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC000420091059 489908333 /nfs/dbraw/zinc/90/83/33/489908333.db2.gz UPBIBNWDTHZRBW-UHFFFAOYSA-N 2 0 366.506 0.063 20 0 FCADRP CN(CCC[N@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377489218 489910291 /nfs/dbraw/zinc/91/02/91/489910291.db2.gz DBBCDGGNOPGSJW-MRXNPFEDSA-N 2 0 350.511 0.731 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097683 489911369 /nfs/dbraw/zinc/91/13/69/489911369.db2.gz AFQJTXLYLKSDQH-PBHICJAKSA-N 2 0 364.465 0.973 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097064 489911504 /nfs/dbraw/zinc/91/15/04/489911504.db2.gz HMVXCDJHHYOWRB-MSOLQXFVSA-N 2 0 356.470 0.991 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCC(=O)N1 ZINC000434114453 489913965 /nfs/dbraw/zinc/91/39/65/489913965.db2.gz DPDRZCRHJCVTIW-MRXNPFEDSA-N 2 0 374.489 0.562 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]1 ZINC000420130427 489924108 /nfs/dbraw/zinc/92/41/08/489924108.db2.gz RHGHAPHKFCLBKA-UHOFOFEASA-N 2 0 350.438 0.801 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132894 489924935 /nfs/dbraw/zinc/92/49/35/489924935.db2.gz SQPXQLRQPJCLBP-UKRRQHHQSA-N 2 0 352.504 0.895 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134463 489924992 /nfs/dbraw/zinc/92/49/92/489924992.db2.gz USVPXHQPDWSFOS-GOEBONIOSA-N 2 0 364.465 0.973 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000495125617 489927473 /nfs/dbraw/zinc/92/74/73/489927473.db2.gz AXOGKRGJOFMYBJ-HOTGVXAUSA-N 2 0 370.538 0.972 20 0 FCADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420145322 489929782 /nfs/dbraw/zinc/92/97/82/489929782.db2.gz OPNNOHFHRVQWJT-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C[NH3+])C1CC1 ZINC000461788904 489939137 /nfs/dbraw/zinc/93/91/37/489939137.db2.gz YCTOAVUEQPUYHP-QGZVFWFLSA-N 2 0 352.523 0.807 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000477084719 489940639 /nfs/dbraw/zinc/94/06/39/489940639.db2.gz RFTTWUBJXRZVMG-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000477084711 489940831 /nfs/dbraw/zinc/94/08/31/489940831.db2.gz RFTTWUBJXRZVMG-DLBZAZTESA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420178050 489942901 /nfs/dbraw/zinc/94/29/01/489942901.db2.gz SYNYXWNDYKIWQZ-OWCLPIDISA-N 2 0 368.522 0.496 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000420186094 489944491 /nfs/dbraw/zinc/94/44/91/489944491.db2.gz PSGCCYKIHWNTRJ-UHFFFAOYSA-N 2 0 370.538 0.698 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000420188660 489946114 /nfs/dbraw/zinc/94/61/14/489946114.db2.gz NLNRNXCHUXSMPB-OFLPRAFFSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420201960 489950058 /nfs/dbraw/zinc/95/00/58/489950058.db2.gz NQWTUURJNRHJCX-DOTOQJQBSA-N 2 0 364.465 0.960 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377734739 489950212 /nfs/dbraw/zinc/95/02/12/489950212.db2.gz OQTUPUZOSLQPCD-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP C[C@H](CN1CCOCC1)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434708621 489951393 /nfs/dbraw/zinc/95/13/93/489951393.db2.gz DARANLLVUQJDCZ-VGIQHARFSA-N 2 0 368.566 0.848 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420205958 489952122 /nfs/dbraw/zinc/95/21/22/489952122.db2.gz JMJDMXPJHPPHFT-HZMVEIRTSA-N 2 0 366.506 0.060 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420206595 489952477 /nfs/dbraw/zinc/95/24/77/489952477.db2.gz WGVVLUIYARNOKE-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000420210424 489953883 /nfs/dbraw/zinc/95/38/83/489953883.db2.gz HBAGCSGRCXHPFA-CVEARBPZSA-N 2 0 366.437 0.039 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]1 ZINC000571186344 491291270 /nfs/dbraw/zinc/29/12/70/491291270.db2.gz ALEGNCJLLUUHIM-WFASDCNBSA-N 2 0 352.866 0.879 20 0 FCADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299039 489961685 /nfs/dbraw/zinc/96/16/85/489961685.db2.gz GDMROJIMIFUBJK-WNHJNPCNSA-N 2 0 363.502 0.780 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327215 489963891 /nfs/dbraw/zinc/96/38/91/489963891.db2.gz LBCTZTXXCPPLML-DLBZAZTESA-N 2 0 358.490 0.447 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420348218 489965947 /nfs/dbraw/zinc/96/59/47/489965947.db2.gz KEOVGRRCLKXSDL-MNEFBYGVSA-N 2 0 360.502 0.420 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420420225 489974080 /nfs/dbraw/zinc/97/40/80/489974080.db2.gz JQFSKFQZHKKRSZ-OAHLLOKOSA-N 2 0 355.508 0.577 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000477625388 489978927 /nfs/dbraw/zinc/97/89/27/489978927.db2.gz IJUOCMHSFAJDFV-MRXNPFEDSA-N 2 0 370.538 0.696 20 0 FCADRP CSC1(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC[NH+](C)CC1 ZINC000462505853 489979082 /nfs/dbraw/zinc/97/90/82/489979082.db2.gz CWCGKIFYKBEJRH-GJZGRUSLSA-N 2 0 358.552 0.910 20 0 FCADRP CCOC(=O)c1ccc(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420451894 489979644 /nfs/dbraw/zinc/97/96/44/489979644.db2.gz IIRLRSOYLYXGGN-UHFFFAOYSA-N 2 0 357.476 0.860 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000477650998 489981551 /nfs/dbraw/zinc/98/15/51/489981551.db2.gz HVERXJFBGITYGU-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420467416 489981868 /nfs/dbraw/zinc/98/18/68/489981868.db2.gz XFJWTZUXAHJDJJ-HUUCEWRRSA-N 2 0 357.524 0.857 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477652883 489982097 /nfs/dbraw/zinc/98/20/97/489982097.db2.gz NTXXJRSLIHCBKH-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP Cn1nnc2c1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000377944721 489984429 /nfs/dbraw/zinc/98/44/29/489984429.db2.gz RGQWHJOUJIXAQM-OAHLLOKOSA-N 2 0 350.511 0.652 20 0 FCADRP Cn1nnc2c1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000377944715 489984435 /nfs/dbraw/zinc/98/44/35/489984435.db2.gz RGQWHJOUJIXAQM-HNNXBMFYSA-N 2 0 350.511 0.652 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000477706874 489986342 /nfs/dbraw/zinc/98/63/42/489986342.db2.gz ZCGQCKVOGBQQTD-INIZCTEOSA-N 2 0 366.506 0.347 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556082942 491293142 /nfs/dbraw/zinc/29/31/42/491293142.db2.gz WMTOPRKDQIKSDB-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)[NH+](C)C ZINC000462747204 489991034 /nfs/dbraw/zinc/99/10/34/489991034.db2.gz CFNDDWRPNGEAEN-HNNXBMFYSA-N 2 0 356.492 0.805 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477874191 489994493 /nfs/dbraw/zinc/99/44/93/489994493.db2.gz FSLGVJKOZZPRIO-TWMKSMIVSA-N 2 0 356.511 0.582 20 0 FCADRP CN(CC(=O)OC(C)(C)C)C[C@@H]1CN(CC[N@@H+]2CCCOCC2)CCO1 ZINC000463196872 490004127 /nfs/dbraw/zinc/00/41/27/490004127.db2.gz GLOQCCGANWMGQA-QGZVFWFLSA-N 2 0 371.522 0.683 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378132410 490014474 /nfs/dbraw/zinc/01/44/74/490014474.db2.gz QBUQGPFIQGGDSA-KRWDZBQOSA-N 2 0 361.490 0.418 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000463474776 490019858 /nfs/dbraw/zinc/01/98/58/490019858.db2.gz BZMRDPDXPUTKFF-UHFFFAOYSA-N 2 0 355.442 0.762 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420906020 490030715 /nfs/dbraw/zinc/03/07/15/490030715.db2.gz RKVUYKVGUWISCY-JKSUJKDBSA-N 2 0 354.495 0.012 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438706993 490036586 /nfs/dbraw/zinc/03/65/86/490036586.db2.gz BDUDHNAWTIBGOW-UHFFFAOYSA-N 2 0 365.526 0.984 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)nc2)CC1 ZINC000378303964 490043537 /nfs/dbraw/zinc/04/35/37/490043537.db2.gz HTEVDKVHNNOOTC-GOSISDBHSA-N 2 0 372.517 0.940 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)nc2)CC1 ZINC000378303965 490043925 /nfs/dbraw/zinc/04/39/25/490043925.db2.gz HTEVDKVHNNOOTC-SFHVURJKSA-N 2 0 372.517 0.940 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC000378314877 490048196 /nfs/dbraw/zinc/04/81/96/490048196.db2.gz LPVVQKWDAYSQTB-IBGZPJMESA-N 2 0 357.502 0.762 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556141902 491297336 /nfs/dbraw/zinc/29/73/36/491297336.db2.gz SKMPJFFTYXGMIC-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524546 490078684 /nfs/dbraw/zinc/07/86/84/490078684.db2.gz BMCCOYGNTNIJMT-KZNAEPCWSA-N 2 0 365.522 0.129 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496266589 490109262 /nfs/dbraw/zinc/10/92/62/490109262.db2.gz NVOSAYZXAIDKLW-INIZCTEOSA-N 2 0 367.538 0.071 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000496365773 490115241 /nfs/dbraw/zinc/11/52/41/490115241.db2.gz UWHFMZVYEMRNJV-HNNXBMFYSA-N 2 0 369.554 0.221 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496393495 490115680 /nfs/dbraw/zinc/11/56/80/490115680.db2.gz IOTVRORBUDCGCT-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000571326162 491300719 /nfs/dbraw/zinc/30/07/19/491300719.db2.gz BSAACWCIFCCEJP-JKSUJKDBSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]CCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1 ZINC000390958487 490140293 /nfs/dbraw/zinc/14/02/93/490140293.db2.gz XEJQYRRNXNZBLP-INIZCTEOSA-N 2 0 358.446 0.258 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206281 491303025 /nfs/dbraw/zinc/30/30/25/491303025.db2.gz KPVHDOFIVGXRDC-RHSMWYFYSA-N 2 0 356.536 0.531 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947094 490154944 /nfs/dbraw/zinc/15/49/44/490154944.db2.gz HQQWTCJKDBKBFD-IRXDYDNUSA-N 2 0 355.527 0.280 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446288163 490158165 /nfs/dbraw/zinc/15/81/65/490158165.db2.gz NYPMYTILCQSSPA-FUHIMQAGSA-N 2 0 366.550 0.909 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000422126484 490178694 /nfs/dbraw/zinc/17/86/94/490178694.db2.gz WVNXXPQOFINNAS-IRXDYDNUSA-N 2 0 350.507 0.729 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401121 491305202 /nfs/dbraw/zinc/30/52/02/491305202.db2.gz PYNVTMUBRWYQIF-SJLPKXTDSA-N 2 0 362.522 0.811 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770599 490186639 /nfs/dbraw/zinc/18/66/39/490186639.db2.gz JSMUVPLTLLUKPA-ZWKOTPCHSA-N 2 0 373.501 0.750 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577748 490197184 /nfs/dbraw/zinc/19/71/84/490197184.db2.gz YXKQFOULKVCNRR-FUHWJXTLSA-N 2 0 367.538 0.158 20 0 FCADRP Cc1ccc2nc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)cc(=O)n2c1 ZINC000507362395 490203293 /nfs/dbraw/zinc/20/32/93/490203293.db2.gz YRYHXLCIVLAGMX-UHFFFAOYSA-N 2 0 371.485 0.893 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603726 490216314 /nfs/dbraw/zinc/21/63/14/490216314.db2.gz APVUMJYAYKPYEQ-IEBWSBKVSA-N 2 0 354.539 0.877 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000521038714 490216647 /nfs/dbraw/zinc/21/66/47/490216647.db2.gz HSGYGOMPHGHVBL-IKGGRYGDSA-N 2 0 368.522 0.498 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000507413865 490218671 /nfs/dbraw/zinc/21/86/71/490218671.db2.gz MVBSIBLFSOXYLU-GOSISDBHSA-N 2 0 369.554 0.408 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CC12CC2 ZINC000422288451 490231679 /nfs/dbraw/zinc/23/16/79/490231679.db2.gz UWCUWWRBAOQHFV-MRXNPFEDSA-N 2 0 371.485 0.626 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000497928964 490234411 /nfs/dbraw/zinc/23/44/11/490234411.db2.gz ZAYITMOPVYLZNO-MJGOQNOKSA-N 2 0 352.523 0.630 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c2)C1 ZINC000498209461 490272419 /nfs/dbraw/zinc/27/24/19/490272419.db2.gz YQKBMYMEWUMGCU-GJZGRUSLSA-N 2 0 368.428 0.983 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC(F)F)c2)C1 ZINC000498209463 490273303 /nfs/dbraw/zinc/27/33/03/490273303.db2.gz YQKBMYMEWUMGCU-LSDHHAIUSA-N 2 0 368.428 0.983 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000564577692 491314876 /nfs/dbraw/zinc/31/48/76/491314876.db2.gz QMSWFIMWSSTZAS-UHFFFAOYSA-N 2 0 366.506 0.348 20 0 FCADRP CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000521849512 490302979 /nfs/dbraw/zinc/30/29/79/490302979.db2.gz KWMQLGQKNSDWET-UHFFFAOYSA-N 2 0 353.511 0.713 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000483423207 490317252 /nfs/dbraw/zinc/31/72/52/490317252.db2.gz XXXAAOWJVMESBP-HOTGVXAUSA-N 2 0 367.538 0.118 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)CC[C@H]2C)CC1=O ZINC000498725947 490331668 /nfs/dbraw/zinc/33/16/68/490331668.db2.gz KTZRZPPJPYXVJH-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CNc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000467795250 490341715 /nfs/dbraw/zinc/34/17/15/490341715.db2.gz MGHBYXKPOPFRHJ-HUUCEWRRSA-N 2 0 362.526 0.396 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000571620058 491319224 /nfs/dbraw/zinc/31/92/24/491319224.db2.gz VPMZAGCATNUAKP-QGZVFWFLSA-N 2 0 368.522 0.356 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000498852697 490353693 /nfs/dbraw/zinc/35/36/93/490353693.db2.gz VKUZKGOAVAFAPB-GOSISDBHSA-N 2 0 362.518 0.945 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000571642256 491320472 /nfs/dbraw/zinc/32/04/72/491320472.db2.gz KHAOXFBLYLTKOK-ZIAGYGMSSA-N 2 0 352.454 0.958 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000498946852 490369269 /nfs/dbraw/zinc/36/92/69/490369269.db2.gz FXLATCPSDBANDQ-MRXNPFEDSA-N 2 0 350.507 0.943 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953823 490371707 /nfs/dbraw/zinc/37/17/07/490371707.db2.gz DSRJYBNVGUKPLR-DLBZAZTESA-N 2 0 350.507 0.943 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000522449025 490379290 /nfs/dbraw/zinc/37/92/90/490379290.db2.gz FAJDOKIZPSAGPY-IRXDYDNUSA-N 2 0 367.538 0.912 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000484111220 490386489 /nfs/dbraw/zinc/38/64/89/490386489.db2.gz KVLQSKVAZHLKPC-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000564725331 491322595 /nfs/dbraw/zinc/32/25/95/491322595.db2.gz AHQUGGGYWSRSKS-SFHVURJKSA-N 2 0 374.485 0.128 20 0 FCADRP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000571684334 491322991 /nfs/dbraw/zinc/32/29/91/491322991.db2.gz HREGYJZJUKTXBL-GDBMZVCRSA-N 2 0 354.495 0.155 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423518 490425731 /nfs/dbraw/zinc/42/57/31/490425731.db2.gz AUXUSDVKDZTUAA-KRWDZBQOSA-N 2 0 370.538 0.976 20 0 FCADRP CC1[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000449800448 490427905 /nfs/dbraw/zinc/42/79/05/490427905.db2.gz DECWSCVYSCUUEU-QZTJIDSGSA-N 2 0 364.534 0.974 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534963088 490430472 /nfs/dbraw/zinc/43/04/72/490430472.db2.gz SMBJPFYFQZXDCA-INIZCTEOSA-N 2 0 365.478 0.542 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535007802 490435760 /nfs/dbraw/zinc/43/57/60/490435760.db2.gz NMLIFYNPRMNPIL-GUDVDZBRSA-N 2 0 363.550 0.393 20 0 FCADRP O=C(CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000564786845 491326436 /nfs/dbraw/zinc/32/64/36/491326436.db2.gz RPWWBNOGAXEWDV-UHFFFAOYSA-N 2 0 365.522 0.716 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1F ZINC000411376561 490443878 /nfs/dbraw/zinc/44/38/78/490443878.db2.gz UNJOCMLAJVRBMG-UHFFFAOYSA-N 2 0 366.437 0.869 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000411408298 490451771 /nfs/dbraw/zinc/45/17/71/490451771.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 2 0 367.582 0.933 20 0 FCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751285 490470897 /nfs/dbraw/zinc/47/08/97/490470897.db2.gz BDMGPVCZLYLOBB-GLQYFDAESA-N 2 0 361.895 0.960 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000535337520 490480593 /nfs/dbraw/zinc/48/05/93/490480593.db2.gz XKGQFPXKSREPIS-HNNXBMFYSA-N 2 0 356.536 0.340 20 0 FCADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422910355 490496122 /nfs/dbraw/zinc/49/61/22/490496122.db2.gz HUXGQIMHHGPMFD-FGTMMUONSA-N 2 0 352.523 0.820 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915764 490503703 /nfs/dbraw/zinc/50/37/03/490503703.db2.gz KAQMWNAKTJDUFE-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394143 490510814 /nfs/dbraw/zinc/51/08/14/490510814.db2.gz OOLDISZJUHCXSH-HZPDHXFCSA-N 2 0 355.527 0.109 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500436062 490516219 /nfs/dbraw/zinc/51/62/19/490516219.db2.gz PZGRXXPSQSZQIV-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP CCN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423062631 490533145 /nfs/dbraw/zinc/53/31/45/490533145.db2.gz UOLGZDMNSDDYMZ-ROUUACIJSA-N 2 0 374.485 0.296 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423059957 490534051 /nfs/dbraw/zinc/53/40/51/490534051.db2.gz GYKYSUSRKBMXKY-INIZCTEOSA-N 2 0 368.522 0.247 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000485541828 490540636 /nfs/dbraw/zinc/54/06/36/490540636.db2.gz ZOXADSKHXSDUHD-QGZVFWFLSA-N 2 0 358.486 0.835 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485558305 490542952 /nfs/dbraw/zinc/54/29/52/490542952.db2.gz BGCJUOOEKQTNBQ-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000500779313 490552662 /nfs/dbraw/zinc/55/26/62/490552662.db2.gz JAJAUDCUFRNDCK-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC000500785842 490553252 /nfs/dbraw/zinc/55/32/52/490553252.db2.gz QVFDOMXUGIGFBB-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000500848352 490558902 /nfs/dbraw/zinc/55/89/02/490558902.db2.gz VDADCLOGPMWCNP-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP O=C(COC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000564914323 491336182 /nfs/dbraw/zinc/33/61/82/491336182.db2.gz AZCODQJZKXCAEL-UHFFFAOYSA-N 3 0 361.490 0.479 20 0 FCADRP CC(=O)NCCN(CC(=O)N1CCN(C)CC1)Cc1ccc(C)s1 ZINC000549151745 490567883 /nfs/dbraw/zinc/56/78/83/490567883.db2.gz ZSNIRVPKBXNISO-UHFFFAOYSA-N 2 0 352.504 0.769 20 0 FCADRP CN(Cc1ccccc1)C(=O)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524932939 490570379 /nfs/dbraw/zinc/57/03/79/490570379.db2.gz ARZWBUJFTOERQE-UHFFFAOYSA-N 2 0 363.506 0.780 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(F)cc1 ZINC000571897909 491336556 /nfs/dbraw/zinc/33/65/56/491336556.db2.gz ZEPLXTWHSBEDBW-HRCADAONSA-N 2 0 363.437 0.382 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000564922548 491336895 /nfs/dbraw/zinc/33/68/95/491336895.db2.gz XEDQQCSSKAWJFO-ZWKOTPCHSA-N 2 0 358.486 0.535 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410159 490592510 /nfs/dbraw/zinc/59/25/10/490592510.db2.gz MYOZHKNERLXMCI-GOEBONIOSA-N 2 0 351.495 0.523 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000571941755 491339105 /nfs/dbraw/zinc/33/91/05/491339105.db2.gz XVZPTKXLVYPBAW-YYIAUSFCSA-N 2 0 365.522 0.698 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000525684490 490618923 /nfs/dbraw/zinc/61/89/23/490618923.db2.gz SNCDIAXDGXDMSW-GUDVDZBRSA-N 2 0 355.523 0.643 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550014669 490619340 /nfs/dbraw/zinc/61/93/40/490619340.db2.gz CBVCJFHBFBUDGI-DLBZAZTESA-N 2 0 356.470 0.730 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1nncn1C ZINC000550008542 490619575 /nfs/dbraw/zinc/61/95/75/490619575.db2.gz BYITYVNULSVBHW-OAHLLOKOSA-N 2 0 352.483 0.206 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccsc3)CC2)C[C@H](C)N1C ZINC000571978266 491340838 /nfs/dbraw/zinc/34/08/38/491340838.db2.gz NCURAFJNJPTYHU-GASCZTMLSA-N 2 0 364.515 0.943 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550107321 490626283 /nfs/dbraw/zinc/62/62/83/490626283.db2.gz IPAWKVAIAZVTBZ-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486517814 490642461 /nfs/dbraw/zinc/64/24/61/490642461.db2.gz NCHUNVNYIVVHNZ-QZWWFDLISA-N 2 0 366.550 0.983 20 0 FCADRP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000501980255 490663172 /nfs/dbraw/zinc/66/31/72/490663172.db2.gz VMBXQCAWYJWTCV-DIYYGHKSSA-N 2 0 368.566 0.316 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486721762 490664647 /nfs/dbraw/zinc/66/46/47/490664647.db2.gz ICGGEKWPRKBDBI-ZYGGUILKSA-N 2 0 352.523 0.689 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486721757 490664878 /nfs/dbraw/zinc/66/48/78/490664878.db2.gz ICGGEKWPRKBDBI-NCOADZHNSA-N 2 0 352.523 0.689 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000572028838 491343752 /nfs/dbraw/zinc/34/37/52/491343752.db2.gz HMTRIOQEIWQUHF-HUUCEWRRSA-N 2 0 353.438 0.742 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000502019824 490668239 /nfs/dbraw/zinc/66/82/39/490668239.db2.gz SULGSCFRAHIEBR-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2)CC1 ZINC000556987685 491346613 /nfs/dbraw/zinc/34/66/13/491346613.db2.gz KZMTWKXGDTWSPR-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168944 490699804 /nfs/dbraw/zinc/69/98/04/490699804.db2.gz WRYFIMVIGIQNJD-CZUORRHYSA-N 2 0 368.503 0.663 20 0 FCADRP CCn1ncc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000527123931 490701170 /nfs/dbraw/zinc/70/11/70/490701170.db2.gz LEPPQTCYYXPQOI-UHFFFAOYSA-N 2 0 374.489 0.947 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000502419535 490703952 /nfs/dbraw/zinc/70/39/52/490703952.db2.gz OMPNFHCUUOJUPV-FQBWVUSXSA-N 2 0 355.523 0.642 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103743 491348695 /nfs/dbraw/zinc/34/86/95/491348695.db2.gz FDOVLMLRHZQJCX-YJBOKZPZSA-N 2 0 358.486 0.739 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487671686 490724485 /nfs/dbraw/zinc/72/44/85/490724485.db2.gz GRQDWROGCIWXCC-IAGOWNOFSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1C(=O)N(C)CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000487710157 490727027 /nfs/dbraw/zinc/72/70/27/490727027.db2.gz PUGJXLNVWFDZFK-MRXNPFEDSA-N 2 0 374.489 0.466 20 0 FCADRP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487710394 490727194 /nfs/dbraw/zinc/72/71/94/490727194.db2.gz QPLJBGLRWZWKOU-TXTZMMAHSA-N 2 0 366.550 0.981 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000487839385 490732589 /nfs/dbraw/zinc/73/25/89/490732589.db2.gz JVVFZNFKCYKMBL-AWEZNQCLSA-N 2 0 367.494 0.274 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483857 490734000 /nfs/dbraw/zinc/73/40/00/490734000.db2.gz LZNAEISOCFZKCW-CVEARBPZSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483861 490734031 /nfs/dbraw/zinc/73/40/31/490734031.db2.gz LZNAEISOCFZKCW-JKSUJKDBSA-N 2 0 370.538 0.648 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC(=O)N3CC[NH2+]CC3)c2)CC1 ZINC000572130401 491350832 /nfs/dbraw/zinc/35/08/32/491350832.db2.gz DUFHXRYSZCCWQT-UHFFFAOYSA-N 2 0 374.489 0.382 20 0 FCADRP CC[N@H+](CCOCCO)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000503411867 490754468 /nfs/dbraw/zinc/75/44/68/490754468.db2.gz RLFTYJZNNZMYFW-UHFFFAOYSA-N 2 0 350.463 0.451 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC000514783651 490788154 /nfs/dbraw/zinc/78/81/54/490788154.db2.gz NORMZJDAWXCGPH-CALCHBBNSA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000514848285 490792206 /nfs/dbraw/zinc/79/22/06/490792206.db2.gz SRKRIGGEKQGKLL-HZPDHXFCSA-N 2 0 365.522 0.761 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000514864587 490794341 /nfs/dbraw/zinc/79/43/41/490794341.db2.gz HSVMSWUTRPRARE-SJLPKXTDSA-N 2 0 372.517 0.978 20 0 FCADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514947260 490799799 /nfs/dbraw/zinc/79/97/99/490799799.db2.gz SSXTZRJKJQURDX-SFHVURJKSA-N 2 0 356.555 0.275 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC000565194384 491359003 /nfs/dbraw/zinc/35/90/03/491359003.db2.gz HKYQAIQFLGZJBH-IBGZPJMESA-N 2 0 352.523 0.366 20 0 FCADRP COc1ccc(C(=O)NCCN2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000515303985 490816869 /nfs/dbraw/zinc/81/68/69/490816869.db2.gz OWAKNFCPUVTRCG-UHFFFAOYSA-N 2 0 350.463 0.018 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000515471504 490827403 /nfs/dbraw/zinc/82/74/03/490827403.db2.gz HPHZJCYRHMQJFW-UHFFFAOYSA-N 2 0 369.554 0.408 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000540561924 490828308 /nfs/dbraw/zinc/82/83/08/490828308.db2.gz DPOSJGNRBNQZJS-UHFFFAOYSA-N 2 0 360.458 0.944 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000515661574 490835045 /nfs/dbraw/zinc/83/50/45/490835045.db2.gz GMWXOMDTPVSOMO-HNNXBMFYSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000515819345 490839242 /nfs/dbraw/zinc/83/92/42/490839242.db2.gz OKRAMZNIKZJALR-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557237401 491360993 /nfs/dbraw/zinc/36/09/93/491360993.db2.gz QXUGOJDTENBZRD-VNTMZGSJSA-N 2 0 369.513 0.806 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506047922 490849078 /nfs/dbraw/zinc/84/90/78/490849078.db2.gz RSAOYHIMFFISCV-HNNXBMFYSA-N 2 0 355.479 0.489 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308939 490849321 /nfs/dbraw/zinc/84/93/21/490849321.db2.gz WUUJYOVGPWLAJB-HNNXBMFYSA-N 2 0 351.495 0.513 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529309049 490849332 /nfs/dbraw/zinc/84/93/32/490849332.db2.gz YHAJKTVUQRHQEV-IAGOWNOFSA-N 2 0 353.511 0.032 20 0 FCADRP O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000516173821 490854619 /nfs/dbraw/zinc/85/46/19/490854619.db2.gz ALKCXVPRPQWKQT-MSOLQXFVSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000541243392 490856002 /nfs/dbraw/zinc/85/60/02/490856002.db2.gz GSSYNPHEDIUMHB-QRVBRYPASA-N 2 0 366.550 0.972 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000516211270 490857044 /nfs/dbraw/zinc/85/70/44/490857044.db2.gz OXSFANQSXLINLO-UHFFFAOYSA-N 2 0 352.454 0.914 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000529378074 490858663 /nfs/dbraw/zinc/85/86/63/490858663.db2.gz SYLPVZZWKMRGNS-KRWDZBQOSA-N 2 0 354.495 0.509 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000516857398 490881085 /nfs/dbraw/zinc/88/10/85/490881085.db2.gz GPCJNYSORMSXGF-FQEVSTJZSA-N 2 0 356.470 0.589 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)COC3CC[NH2+]CC3)ccc2oc1=O ZINC000516924225 490884977 /nfs/dbraw/zinc/88/49/77/490884977.db2.gz IVOCNEYSVNPVDI-UHFFFAOYSA-N 2 0 362.430 0.863 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000542168663 490888051 /nfs/dbraw/zinc/88/80/51/490888051.db2.gz STXZBZNFVDBTLP-HTUJPFKRSA-N 2 0 364.534 0.724 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000517019099 490891101 /nfs/dbraw/zinc/89/11/01/490891101.db2.gz RWSYWNNLVOSKHD-UHFFFAOYSA-N 2 0 361.490 0.759 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241540 490894980 /nfs/dbraw/zinc/89/49/80/490894980.db2.gz QQOVSBDFSRUPCJ-OIISXLGYSA-N 2 0 366.506 0.189 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC000572274722 491360254 /nfs/dbraw/zinc/36/02/54/491360254.db2.gz LMNCHZOZNRMDDN-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000542607719 490901572 /nfs/dbraw/zinc/90/15/72/490901572.db2.gz MAGFZMREMVKLIA-MSOLQXFVSA-N 2 0 353.555 0.497 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000530430168 490905452 /nfs/dbraw/zinc/90/54/52/490905452.db2.gz IIZFPXRCRTUZQM-ZDUSSCGKSA-N 2 0 357.524 0.682 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000530577016 490913957 /nfs/dbraw/zinc/91/39/57/490913957.db2.gz MAYJNIJHJMKKLR-SFHVURJKSA-N 2 0 351.539 0.252 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000517968740 490926644 /nfs/dbraw/zinc/92/66/44/490926644.db2.gz HNQQAXJXCMKZLD-QYZOEREBSA-N 2 0 372.513 0.971 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000530818692 490927079 /nfs/dbraw/zinc/92/70/79/490927079.db2.gz ZKMFPGPDIDCMCU-UHFFFAOYSA-N 2 0 352.523 0.775 20 0 FCADRP Cn1c2ccccc2n(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000530881337 490929787 /nfs/dbraw/zinc/92/97/87/490929787.db2.gz URLALUHGDOIOGB-UHFFFAOYSA-N 2 0 361.490 0.682 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000557288880 491365266 /nfs/dbraw/zinc/36/52/66/491365266.db2.gz ROJNKOOMRBUYEC-NJAFHUGGSA-N 2 0 358.486 0.820 20 0 FCADRP CC(=O)N1CC[C@@](C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000531087261 490939810 /nfs/dbraw/zinc/93/98/10/490939810.db2.gz FKVIFYMJCLCPGI-HXUWFJFHSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000518443090 490941888 /nfs/dbraw/zinc/94/18/88/490941888.db2.gz FRNZZYAQVXLOCC-BRWVUGGUSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH+](C)CC1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000543696338 490941917 /nfs/dbraw/zinc/94/19/17/490941917.db2.gz ORJZKTFJWGSTPD-MRXNPFEDSA-N 2 0 367.538 0.995 20 0 FCADRP O=C(C1CCC1)N1CCN(CCNc2ccnc(N3CCOCC3)n2)CC1 ZINC000543692882 490941935 /nfs/dbraw/zinc/94/19/35/490941935.db2.gz HHQNQAHTVWHFPY-UHFFFAOYSA-N 2 0 374.489 0.669 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000543751228 490944560 /nfs/dbraw/zinc/94/45/60/490944560.db2.gz GYSQILCLFLWYKY-MRXNPFEDSA-N 2 0 363.506 0.586 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]2CCCC2)c1 ZINC000565254954 491365992 /nfs/dbraw/zinc/36/59/92/491365992.db2.gz QUNBTALWKGDUNT-QGZVFWFLSA-N 2 0 362.474 0.756 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000518606132 490946959 /nfs/dbraw/zinc/94/69/59/490946959.db2.gz BXVZHYCHKVJFKA-QGZVFWFLSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2nccn2Cc2ccccc2)CC1 ZINC000518757959 490950089 /nfs/dbraw/zinc/95/00/89/490950089.db2.gz PSJLPGYJRNNHRA-IBGZPJMESA-N 2 0 357.502 0.672 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000543991938 490954635 /nfs/dbraw/zinc/95/46/35/490954635.db2.gz GWWJDQVNSKHWIQ-HNNXBMFYSA-N 2 0 369.506 0.613 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)CC[C@H]21 ZINC000518960825 490957097 /nfs/dbraw/zinc/95/70/97/490957097.db2.gz VVTBPKUWMDPPPG-XMTFNYHQSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000531484731 490960405 /nfs/dbraw/zinc/96/04/05/490960405.db2.gz JCTSGPSCGJSJKV-QGZVFWFLSA-N 2 0 365.522 0.666 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000519533053 490974494 /nfs/dbraw/zinc/97/44/94/490974494.db2.gz YRWVEAOAMPPERE-ZIAGYGMSSA-N 2 0 365.444 0.948 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)NC1CC[NH+](CC2CC2)CC1 ZINC000519588651 490977969 /nfs/dbraw/zinc/97/79/69/490977969.db2.gz PWEALGNPFHWSAY-UHFFFAOYSA-N 2 0 359.478 0.882 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000519679735 490983837 /nfs/dbraw/zinc/98/38/37/490983837.db2.gz LHLCOSOQTKLDRQ-ZTFGCOKTSA-N 2 0 355.429 0.993 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000519690935 490984351 /nfs/dbraw/zinc/98/43/51/490984351.db2.gz PTNHFOVNPKKDGQ-UKRRQHHQSA-N 2 0 372.477 0.712 20 0 FCADRP CCn1c(N)c(C(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c(=O)[nH]c1=O ZINC000532537739 490993789 /nfs/dbraw/zinc/99/37/89/490993789.db2.gz DKSAXUARWDSKCV-UHFFFAOYSA-N 2 0 365.478 0.786 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000569482023 491163439 /nfs/dbraw/zinc/16/34/39/491163439.db2.gz ZXTKJDUKEUWNNP-CQSZACIVSA-N 2 0 363.462 0.492 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000562462416 491167662 /nfs/dbraw/zinc/16/76/62/491167662.db2.gz OHZCSMUOAISXRT-UHFFFAOYSA-N 3 0 356.559 0.147 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569560167 491168043 /nfs/dbraw/zinc/16/80/43/491168043.db2.gz NSEAFIJCZHLFFG-HDICACEKSA-N 2 0 358.486 0.693 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000569682812 491181543 /nfs/dbraw/zinc/18/15/43/491181543.db2.gz PACIATXOZISEJF-UHFFFAOYSA-N 3 0 356.536 0.862 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000565323333 491370267 /nfs/dbraw/zinc/37/02/67/491370267.db2.gz DQMJAOLEKFTLID-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000572554968 491378321 /nfs/dbraw/zinc/37/83/21/491378321.db2.gz LTAYSQACVMFXKQ-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC1 ZINC000565617788 491389543 /nfs/dbraw/zinc/38/95/43/491389543.db2.gz PYCUKCAQXPIHDN-ALOPSCKCSA-N 2 0 365.522 0.807 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000565754110 491397608 /nfs/dbraw/zinc/39/76/08/491397608.db2.gz VKLJMMNGRHGRII-FHWLQOOXSA-N 2 0 356.555 0.416 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764338 491398268 /nfs/dbraw/zinc/39/82/68/491398268.db2.gz GEJWIGCZUOWMCB-MOPGFXCFSA-N 2 0 359.518 0.848 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000572862474 491398480 /nfs/dbraw/zinc/39/84/80/491398480.db2.gz HXGSZWQZZFLICY-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070847 491410112 /nfs/dbraw/zinc/41/01/12/491410112.db2.gz ASXIDAGRMKGRPI-JSGCOSHPSA-N 2 0 350.467 1.384 20 0 FCADRP CCN(C(=O)[C@H](C)[NH+]1CC(C)C1)C1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000573135644 491415180 /nfs/dbraw/zinc/41/51/80/491415180.db2.gz CGNBGRREBHLJIV-HOTGVXAUSA-N 2 0 350.507 0.726 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000566179143 491423234 /nfs/dbraw/zinc/42/32/34/491423234.db2.gz OKUUUNUEOPWXRS-GOSISDBHSA-N 2 0 360.502 0.959 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000566197814 491425024 /nfs/dbraw/zinc/42/50/24/491425024.db2.gz QOWUUZHDOYMKSI-ROUUACIJSA-N 2 0 374.485 0.262 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244174 491429954 /nfs/dbraw/zinc/42/99/54/491429954.db2.gz DBNSWYGNEDVJTQ-MUGJNUQGSA-N 3 0 374.529 0.498 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000573429823 491432658 /nfs/dbraw/zinc/43/26/58/491432658.db2.gz GQYRYCKYONOZSU-DBWAAGBOSA-N 2 0 350.507 0.665 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000566296085 491433540 /nfs/dbraw/zinc/43/35/40/491433540.db2.gz OYFURMXSXTZICO-OAHLLOKOSA-N 2 0 357.520 0.488 20 0 FCADRP COCCn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)cc1C ZINC000558555596 491435489 /nfs/dbraw/zinc/43/54/89/491435489.db2.gz CGSKYENIXBYWLJ-UHFFFAOYSA-N 2 0 352.479 0.369 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000573570223 491441041 /nfs/dbraw/zinc/44/10/41/491441041.db2.gz MLIKIXQHNRTCIA-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000573569073 491441202 /nfs/dbraw/zinc/44/12/02/491441202.db2.gz JCLOKDPNPXTWOH-QRTARXTBSA-N 2 0 351.472 0.866 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566562119 491453307 /nfs/dbraw/zinc/45/33/07/491453307.db2.gz HQMCQXVBBWLLSI-FHWLQOOXSA-N 3 0 360.502 0.061 20 0 FCADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000566618209 491456324 /nfs/dbraw/zinc/45/63/24/491456324.db2.gz YJPRHIDAXOHOEC-FGYAAKKASA-N 2 0 370.582 0.540 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000566751488 491464632 /nfs/dbraw/zinc/46/46/32/491464632.db2.gz UBOMBHLHWLOLEN-YQQAZPJKSA-N 2 0 366.506 0.201 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cn1 ZINC000573962751 491466134 /nfs/dbraw/zinc/46/61/34/491466134.db2.gz NUFYPNIVXIZXEM-QGZVFWFLSA-N 2 0 372.473 0.980 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)CCN1C ZINC000559360640 491467111 /nfs/dbraw/zinc/46/71/11/491467111.db2.gz MKIHDHOUSYUMDZ-GJZGRUSLSA-N 2 0 350.463 0.797 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1=O ZINC000566800008 491467854 /nfs/dbraw/zinc/46/78/54/491467854.db2.gz RDDAOFJSTQBJFY-CQSZACIVSA-N 2 0 374.489 0.060 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000559412911 491471070 /nfs/dbraw/zinc/47/10/70/491471070.db2.gz ZCEDRFYKHMDVIS-UHFFFAOYSA-N 2 0 373.501 0.763 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000559462163 491475502 /nfs/dbraw/zinc/47/55/02/491475502.db2.gz LXYCBRRVBQOSIC-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000566962897 491477250 /nfs/dbraw/zinc/47/72/50/491477250.db2.gz BLQTVFZINJLONF-HNNXBMFYSA-N 2 0 351.495 0.324 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000559554361 491480804 /nfs/dbraw/zinc/48/08/04/491480804.db2.gz MFXGGFGRVLPUEN-UHFFFAOYSA-N 3 0 369.554 0.175 20 0 FCADRP CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484627 /nfs/dbraw/zinc/48/46/27/491484627.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 2 0 361.490 0.038 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567163902 491489521 /nfs/dbraw/zinc/48/95/21/491489521.db2.gz GOHASUCKTAXXHU-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000567194298 491491699 /nfs/dbraw/zinc/49/16/99/491491699.db2.gz RQKKACOBIYYQEQ-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000567362041 491502259 /nfs/dbraw/zinc/50/22/59/491502259.db2.gz JTHBPYPEPOCTPR-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000574553547 491505015 /nfs/dbraw/zinc/50/50/15/491505015.db2.gz HNMSTZINFZJUHT-AWEZNQCLSA-N 2 0 356.511 0.401 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000559862368 491505600 /nfs/dbraw/zinc/50/56/00/491505600.db2.gz LBEFEVPMQJYJRN-QAPCUYQASA-N 2 0 370.563 0.730 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000559866875 491506139 /nfs/dbraw/zinc/50/61/39/491506139.db2.gz GDSVPDMMPKYRNT-RDTXWAMCSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567522073 491511630 /nfs/dbraw/zinc/51/16/30/491511630.db2.gz FGOKQZCLOUVZKS-CVEARBPZSA-N 2 0 353.511 0.603 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583035 493348743 /nfs/dbraw/zinc/34/87/43/493348743.db2.gz KMOIVCGKNIUJDM-SJORKVTESA-N 2 0 366.506 0.035 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567870532 491536381 /nfs/dbraw/zinc/53/63/81/491536381.db2.gz GBSXBUSNMAVWJV-MRXNPFEDSA-N 2 0 363.506 0.752 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCC[NH2+]1 ZINC000567872113 491536495 /nfs/dbraw/zinc/53/64/95/491536495.db2.gz HWQVEDBEARSSNF-CRAIPNDOSA-N 2 0 354.495 0.650 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000575203887 491545343 /nfs/dbraw/zinc/54/53/43/491545343.db2.gz HJLDEVNVVWXFEV-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000575200713 491545453 /nfs/dbraw/zinc/54/54/53/491545453.db2.gz IALBSYIXUXNPLY-UHFFFAOYSA-N 2 0 367.538 0.075 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000568075789 491552134 /nfs/dbraw/zinc/55/21/34/491552134.db2.gz HKIABCDYQPZTLW-KRWDZBQOSA-N 2 0 369.535 0.778 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560727509 491553710 /nfs/dbraw/zinc/55/37/10/491553710.db2.gz FLRAINRWVZLQTK-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP CN(CC1CCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000560915055 491564799 /nfs/dbraw/zinc/56/47/99/491564799.db2.gz FSGCYSGSBJIEIG-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561148421 491578761 /nfs/dbraw/zinc/57/87/61/491578761.db2.gz YTJBQJJMAKPMPQ-OALUTQOASA-N 2 0 357.502 0.950 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000561181728 491580776 /nfs/dbraw/zinc/58/07/76/491580776.db2.gz OVNXYCPONPXGQR-QZTJIDSGSA-N 2 0 358.486 0.617 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000568507310 491581110 /nfs/dbraw/zinc/58/11/10/491581110.db2.gz QNIKHOYULNKEOJ-HOCLYGCPSA-N 2 0 363.458 0.893 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568522798 491583168 /nfs/dbraw/zinc/58/31/68/491583168.db2.gz CVZKPLNUFDAYRI-UHFFFAOYSA-N 2 0 367.538 0.058 20 0 FCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000584410940 491587671 /nfs/dbraw/zinc/58/76/71/491587671.db2.gz ZATJLDAYGIJCLK-DLBZAZTESA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425253 491590316 /nfs/dbraw/zinc/59/03/16/491590316.db2.gz ONERPFWIXPHBLW-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000561257110 491590761 /nfs/dbraw/zinc/59/07/61/491590761.db2.gz GUSMZYCJBSGUKV-BBRMVZONSA-N 2 0 350.438 0.742 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000577130388 491593845 /nfs/dbraw/zinc/59/38/45/491593845.db2.gz WYBXZXCSMABINH-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000561400978 491605241 /nfs/dbraw/zinc/60/52/41/491605241.db2.gz GUHOBGPALDJPMW-INIZCTEOSA-N 2 0 366.510 1.457 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C[C@@H](C)O1 ZINC000576330392 491605432 /nfs/dbraw/zinc/60/54/32/491605432.db2.gz MZGIZAUERARXOX-NUJGCVRESA-N 2 0 367.538 0.421 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238522 491605893 /nfs/dbraw/zinc/60/58/93/491605893.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 2 0 367.538 0.070 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000568766660 491607719 /nfs/dbraw/zinc/60/77/19/491607719.db2.gz DPJVDDYGEQGLOA-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000576374293 491609124 /nfs/dbraw/zinc/60/91/24/491609124.db2.gz HQMIAFYNYAGZOQ-UHFFFAOYSA-N 2 0 368.547 0.580 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCCC1 ZINC000561652456 491622899 /nfs/dbraw/zinc/62/28/99/491622899.db2.gz KQDUKUPZVRMEGE-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000561674748 491624053 /nfs/dbraw/zinc/62/40/53/491624053.db2.gz GFNOLQPMJIVIOP-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP O=C1C[C@]2(CN1)CCC[NH+](CCCC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000577595220 491634347 /nfs/dbraw/zinc/63/43/47/491634347.db2.gz DBWMTIPSOVZWNA-PMACEKPBSA-N 2 0 362.518 0.971 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000577600749 491635127 /nfs/dbraw/zinc/63/51/27/491635127.db2.gz CKWKKVBTYJUSAC-FGTMMUONSA-N 2 0 356.470 0.636 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000577600750 491635137 /nfs/dbraw/zinc/63/51/37/491635137.db2.gz CKWKKVBTYJUSAC-OKZBNKHCSA-N 2 0 356.470 0.636 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@@]1(C)C[NH3+] ZINC000576688801 491635993 /nfs/dbraw/zinc/63/59/93/491635993.db2.gz FKSRWJCJTJZLBB-OAFZBRQQSA-N 2 0 365.522 0.603 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)cn2)CC1 ZINC000577612476 491636183 /nfs/dbraw/zinc/63/61/83/491636183.db2.gz YOFFQFAJHNBXMP-UHFFFAOYSA-N 2 0 369.473 0.747 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620525 491636736 /nfs/dbraw/zinc/63/67/36/491636736.db2.gz QMQLTJHLECXQRA-SQGPQFPESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000569266348 491647518 /nfs/dbraw/zinc/64/75/18/491647518.db2.gz UYHWOVYLYAIAFS-HOTGVXAUSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576837917 491649234 /nfs/dbraw/zinc/64/92/34/491649234.db2.gz LPEJRUYSTMTROC-IUODEOHRSA-N 2 0 356.426 0.878 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000576855605 491651263 /nfs/dbraw/zinc/65/12/63/491651263.db2.gz ITDGAASJDCZVIZ-INIZCTEOSA-N 2 0 365.478 0.542 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798402 491652952 /nfs/dbraw/zinc/65/29/52/491652952.db2.gz PCGHDFSDBOKENK-WMLDXEAASA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1[NH+](C)C ZINC000577795963 491653430 /nfs/dbraw/zinc/65/34/30/491653430.db2.gz BESWGJNKDZNLAS-SUMWQHHRSA-N 2 0 364.465 0.912 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000577842194 491656253 /nfs/dbraw/zinc/65/62/53/491656253.db2.gz MOEUAMCHKMZUBA-HNNXBMFYSA-N 2 0 374.485 0.259 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000576934965 491658226 /nfs/dbraw/zinc/65/82/26/491658226.db2.gz XJMRVTZQUFSYRL-JYJNAYRXSA-N 2 0 350.507 0.763 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458507 491663460 /nfs/dbraw/zinc/66/34/60/491663460.db2.gz MBQQZNXWSAIJTI-HOCLYGCPSA-N 2 0 369.531 0.629 20 0 FCADRP CCn1ccnc1CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000569459020 491663626 /nfs/dbraw/zinc/66/36/26/491663626.db2.gz RFKDAYCSVWVFRK-KRWDZBQOSA-N 2 0 374.533 0.669 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000578000024 491667246 /nfs/dbraw/zinc/66/72/46/491667246.db2.gz NTBBJKOCBFUEPC-UHFFFAOYSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH2+][C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000578071395 491669239 /nfs/dbraw/zinc/66/92/39/491669239.db2.gz WVAKLYSHNXQOCU-JCGIZDLHSA-N 2 0 373.505 0.956 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000578122452 491670381 /nfs/dbraw/zinc/67/03/81/491670381.db2.gz NGNHVQLHYICYLD-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000578226948 491672809 /nfs/dbraw/zinc/67/28/09/491672809.db2.gz WAJQAZRODOJLGI-MNZLEMJZSA-N 2 0 373.501 0.676 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000578340911 491675091 /nfs/dbraw/zinc/67/50/91/491675091.db2.gz NBQHIVNKHYYAEG-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000578344963 491675300 /nfs/dbraw/zinc/67/53/00/491675300.db2.gz TZAPCJTYMMVOHI-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000578476006 491678047 /nfs/dbraw/zinc/67/80/47/491678047.db2.gz SPBAPQNSPZCAKO-MRXNPFEDSA-N 2 0 367.538 0.959 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000578620313 491680935 /nfs/dbraw/zinc/68/09/35/491680935.db2.gz FZTOSWWEVNVINA-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP Cc1cnc([C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000578796943 491684740 /nfs/dbraw/zinc/68/47/40/491684740.db2.gz ZBKKRBXMDHLXBK-CYBMUJFWSA-N 2 0 369.535 0.623 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000578979336 491688259 /nfs/dbraw/zinc/68/82/59/491688259.db2.gz BBPBQTWXRBYXMR-AWEZNQCLSA-N 2 0 365.503 0.616 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000579060017 491690067 /nfs/dbraw/zinc/69/00/67/491690067.db2.gz DDODPGLZIDDNNT-UHFFFAOYSA-N 2 0 361.446 0.054 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000579091399 491690732 /nfs/dbraw/zinc/69/07/32/491690732.db2.gz SPJBEEQHVFFSMG-RTBURBONSA-N 2 0 374.533 0.981 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000579138011 491691838 /nfs/dbraw/zinc/69/18/38/491691838.db2.gz LKPLIZRRWLKVAV-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000579210797 491693066 /nfs/dbraw/zinc/69/30/66/491693066.db2.gz XWNVNVQWBAKMQV-QGZVFWFLSA-N 2 0 365.522 0.572 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210955 491693129 /nfs/dbraw/zinc/69/31/29/491693129.db2.gz ALFJKYFWFKXLOO-MOPGFXCFSA-N 2 0 359.518 0.848 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000579228126 491693558 /nfs/dbraw/zinc/69/35/58/491693558.db2.gz YKQQZAFBVIWPAK-HNNXBMFYSA-N 2 0 361.446 0.384 20 0 FCADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359989 491696332 /nfs/dbraw/zinc/69/63/32/491696332.db2.gz YYNQVNMJMIPGBH-ROUUACIJSA-N 2 0 372.517 0.979 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000579619562 491702000 /nfs/dbraw/zinc/70/20/00/491702000.db2.gz UUKNXUKFYCBAEP-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000579809282 491705656 /nfs/dbraw/zinc/70/56/56/491705656.db2.gz RPZKZGCDSRCGAX-NCOADZHNSA-N 2 0 374.551 0.346 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)CC[NH2+]CC2 ZINC000579824082 491706069 /nfs/dbraw/zinc/70/60/69/491706069.db2.gz YGJZUKHAWQZZQB-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855916 491706992 /nfs/dbraw/zinc/70/69/92/491706992.db2.gz HEYNJGDMMLGCCQ-ZWKOTPCHSA-N 2 0 352.523 0.580 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000579931228 491709838 /nfs/dbraw/zinc/70/98/38/491709838.db2.gz UTFGYXMIEMSUOL-IRXDYDNUSA-N 2 0 353.511 0.032 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000580143406 491719342 /nfs/dbraw/zinc/71/93/42/491719342.db2.gz LMHPBFYJIMPMDT-MUQADHOPSA-N 2 0 371.485 0.705 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580414414 491730086 /nfs/dbraw/zinc/73/00/86/491730086.db2.gz SSQMIMDIULFRAF-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758593 491731521 /nfs/dbraw/zinc/73/15/21/491731521.db2.gz FTCWHWVFYQIUPS-KRWDZBQOSA-N 2 0 361.490 0.686 20 0 FCADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000580449862 491731838 /nfs/dbraw/zinc/73/18/38/491731838.db2.gz DFGMLIAXVHNYIO-SFHVURJKSA-N 2 0 373.501 0.415 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000580533513 491734967 /nfs/dbraw/zinc/73/49/67/491734967.db2.gz VDODROFUVLPJDN-DLBZAZTESA-N 2 0 365.522 0.001 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NCC[NH+]1CCCCCC1 ZINC000580613196 491738792 /nfs/dbraw/zinc/73/87/92/491738792.db2.gz ZQIDZCXWMKZWJZ-IRXDYDNUSA-N 2 0 365.522 0.905 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580639662 491739744 /nfs/dbraw/zinc/73/97/44/491739744.db2.gz QBLLEWNVCBGDHW-OAQYLSRUSA-N 2 0 370.497 0.933 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580832215 491747718 /nfs/dbraw/zinc/74/77/18/491747718.db2.gz TVAIUVLGSFDNMA-OAHLLOKOSA-N 2 0 354.495 0.250 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580832214 491747783 /nfs/dbraw/zinc/74/77/83/491747783.db2.gz TVAIUVLGSFDNMA-HNNXBMFYSA-N 2 0 354.495 0.250 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000581149029 491761353 /nfs/dbraw/zinc/76/13/53/491761353.db2.gz RIJLRSXNCXJIAS-HZMVEIRTSA-N 2 0 366.506 0.297 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000581370133 491770294 /nfs/dbraw/zinc/77/02/94/491770294.db2.gz KMXNYBVWDPPLHG-UHOFOFEASA-N 2 0 366.487 0.722 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000581418563 491772096 /nfs/dbraw/zinc/77/20/96/491772096.db2.gz YWWITAHCOJRXPR-INIZCTEOSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)C1=CC[N@H+](C)CC1 ZINC000581575559 491778510 /nfs/dbraw/zinc/77/85/10/491778510.db2.gz VPWYKSUOKBRRFR-OAHLLOKOSA-N 2 0 362.474 0.936 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581883268 491788784 /nfs/dbraw/zinc/78/87/84/491788784.db2.gz UNZIGDRXODXJDI-ZDUSSCGKSA-N 2 0 356.434 0.087 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000582057506 491796046 /nfs/dbraw/zinc/79/60/46/491796046.db2.gz PRUCIGDCHHUVRW-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(CN1CCC[C@@H]1CF)N1CCN(C(=O)CN2CCC[C@H]2CF)CC1 ZINC000582194473 491801973 /nfs/dbraw/zinc/80/19/73/491801973.db2.gz KQUJCUYBLZZKTL-IYBDPMFKSA-N 2 0 372.460 0.525 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668498368 493364754 /nfs/dbraw/zinc/36/47/54/493364754.db2.gz QFBAJIHFDHSNFJ-QGZVFWFLSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000582423368 491811901 /nfs/dbraw/zinc/81/19/01/491811901.db2.gz USLNBOOSPWJHCB-KRWDZBQOSA-N 2 0 360.458 0.450 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582664110 491821528 /nfs/dbraw/zinc/82/15/28/491821528.db2.gz ZTPWAJQLLBIXPR-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668812 491821941 /nfs/dbraw/zinc/82/19/41/491821941.db2.gz MFMRLMFENJMCCJ-FSDCSDTHSA-N 2 0 363.506 0.606 20 0 FCADRP CCOC(=O)CC[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000591728234 491822582 /nfs/dbraw/zinc/82/25/82/491822582.db2.gz CFZPFJYFAYSXES-INIZCTEOSA-N 2 0 350.463 0.627 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914916 491832360 /nfs/dbraw/zinc/83/23/60/491832360.db2.gz HNJWKQCLUHEDLR-FGTMMUONSA-N 2 0 371.485 0.604 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253364 491840901 /nfs/dbraw/zinc/84/09/01/491840901.db2.gz QOZMQHSSSYHGMH-UONOGXRCSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000583452569 491845368 /nfs/dbraw/zinc/84/53/68/491845368.db2.gz PHRBPSKEBBNCJH-QAETUUGQSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000583529217 491846826 /nfs/dbraw/zinc/84/68/26/491846826.db2.gz CJADFXPLDFSRNL-CVEARBPZSA-N 2 0 361.490 0.798 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)CN)C1 ZINC000583576554 491847898 /nfs/dbraw/zinc/84/78/98/491847898.db2.gz UUXVLVIWUSJUKS-OAHLLOKOSA-N 2 0 368.428 0.472 20 0 FCADRP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)N(C[C@@H](O)C[N@@H+](C)CC)CC1(C)C ZINC000583761304 491851401 /nfs/dbraw/zinc/85/14/01/491851401.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 2 0 358.571 0.396 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@]3(C1)CCC[N@H+](C)C3)CC[NH2+]CC2 ZINC000583807771 491852295 /nfs/dbraw/zinc/85/22/95/491852295.db2.gz ZPJRUZYIWJNHEG-OXJNMPFZSA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881710 491854012 /nfs/dbraw/zinc/85/40/12/491854012.db2.gz JIWNQYAUZFTTAN-HOTGVXAUSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000584014428 491856646 /nfs/dbraw/zinc/85/66/46/491856646.db2.gz NZWMHNYWAHANNT-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000584099139 491858385 /nfs/dbraw/zinc/85/83/85/491858385.db2.gz CNTNMBDVICTBHN-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1[NH3+] ZINC000584226604 491861071 /nfs/dbraw/zinc/86/10/71/491861071.db2.gz CHUWXHHXDCDIIL-BZZMCLGOSA-N 2 0 356.470 0.525 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000611757682 491872478 /nfs/dbraw/zinc/87/24/78/491872478.db2.gz HBYLEHBBGAFOCW-HNNXBMFYSA-N 2 0 362.518 0.991 20 0 FCADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000595263271 491908532 /nfs/dbraw/zinc/90/85/32/491908532.db2.gz RMAGFJDYDWHJJV-GBJTYRQASA-N 2 0 363.462 0.662 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263546 491908716 /nfs/dbraw/zinc/90/87/16/491908716.db2.gz FEVRAEHPEKNLKF-DLBZAZTESA-N 2 0 372.473 0.251 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000612547523 491932460 /nfs/dbraw/zinc/93/24/60/491932460.db2.gz FJRQVXWXDLDPAZ-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612592178 491936278 /nfs/dbraw/zinc/93/62/78/491936278.db2.gz NSYYJDCVLJRVQF-CVEARBPZSA-N 2 0 366.506 0.345 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000612599232 491937706 /nfs/dbraw/zinc/93/77/06/491937706.db2.gz RIZSUKFHBZZHCB-SJORKVTESA-N 2 0 364.490 0.053 20 0 FCADRP CCOC(=O)CC1([NH2+]CC(=O)NC2CC[NH+](CC)CC2)CCOCC1 ZINC000595887056 491959319 /nfs/dbraw/zinc/95/93/19/491959319.db2.gz LYXQTOOBKYOQMZ-UHFFFAOYSA-N 2 0 355.479 0.679 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957003 491965152 /nfs/dbraw/zinc/96/51/52/491965152.db2.gz SIZFXFLDQGVVPQ-OAHLLOKOSA-N 2 0 365.396 0.920 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506785 491990217 /nfs/dbraw/zinc/99/02/17/491990217.db2.gz PKKWJWROHMUDCQ-IEBWSBKVSA-N 2 0 360.502 0.803 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000596843674 492002144 /nfs/dbraw/zinc/00/21/44/492002144.db2.gz HSGZPHYTVWHYDF-JKSUJKDBSA-N 2 0 354.495 0.853 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000597430357 492037852 /nfs/dbraw/zinc/03/78/52/492037852.db2.gz KCIVEHUZGHYGFC-HNNXBMFYSA-N 2 0 353.511 0.570 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC000604632420 492065331 /nfs/dbraw/zinc/06/53/31/492065331.db2.gz LTUFDFDXLNFLJB-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604646563 492065744 /nfs/dbraw/zinc/06/57/44/492065744.db2.gz YTGXBEWKMAPBBD-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000604774482 492071370 /nfs/dbraw/zinc/07/13/70/492071370.db2.gz YASKXFJIWCQUBC-UAFMIMERSA-N 2 0 368.566 0.558 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000606663300 492125934 /nfs/dbraw/zinc/12/59/34/492125934.db2.gz MRGBCYHEZBYDSK-INIZCTEOSA-N 2 0 353.511 0.747 20 0 FCADRP COC(=O)c1cc(F)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1F ZINC000599106887 492135966 /nfs/dbraw/zinc/13/59/66/492135966.db2.gz IGUCJIFZWWNAKW-UHFFFAOYSA-N 2 0 365.402 0.440 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000607057207 492137863 /nfs/dbraw/zinc/13/78/63/492137863.db2.gz MNMRUCBNBZNSGI-DLBZAZTESA-N 2 0 367.538 0.995 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC1=O ZINC000607689506 492149090 /nfs/dbraw/zinc/14/90/90/492149090.db2.gz ATTGOOUIYYTXON-WCXIOVBPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](CCNC(=O)c1cc(C(=O)NCC[C@@H](C)[NH+](C)C)[nH]n1)[NH+](C)C ZINC000617761462 492190187 /nfs/dbraw/zinc/19/01/87/492190187.db2.gz UOUMMYPFTZNQSZ-CHWSQXEVSA-N 2 0 352.483 0.550 20 0 FCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000647492530 492297686 /nfs/dbraw/zinc/29/76/86/492297686.db2.gz HVWYDZZYWSWZDX-UHFFFAOYSA-N 2 0 360.502 0.929 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000654407781 492299352 /nfs/dbraw/zinc/29/93/52/492299352.db2.gz SRHIWJNEUITZOD-QGZVFWFLSA-N 2 0 354.564 0.910 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785237 492305885 /nfs/dbraw/zinc/30/58/85/492305885.db2.gz ZHUWFWFLMMLVKY-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627468881 492308152 /nfs/dbraw/zinc/30/81/52/492308152.db2.gz GEIMZKBMTRLVRQ-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627468888 492308474 /nfs/dbraw/zinc/30/84/74/492308474.db2.gz GJNLZIKXDGWTCI-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627469646 492309404 /nfs/dbraw/zinc/30/94/04/492309404.db2.gz ATJBDFPYDGZJOW-MSOLQXFVSA-N 2 0 374.485 0.214 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641823754 492310368 /nfs/dbraw/zinc/31/03/68/492310368.db2.gz AJVVHSDQYBWKIK-LJQANCHMSA-N 2 0 350.507 0.923 20 0 FCADRP Cc1nccn1CC(=O)N1CCN(C(=O)Cn2ccnc2C)[C@H](C)[C@H]1C ZINC000620747174 492332505 /nfs/dbraw/zinc/33/25/05/492332505.db2.gz NKQIPHBOSFAODE-ZIAGYGMSSA-N 2 0 358.446 0.844 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000642096229 492333644 /nfs/dbraw/zinc/33/36/44/492333644.db2.gz UXFITNBNJPNPTM-RDJZCZTQSA-N 2 0 362.474 0.672 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000642100551 492335205 /nfs/dbraw/zinc/33/52/05/492335205.db2.gz YJYDAXGKVMAMRF-CGTJXYLNSA-N 2 0 374.485 0.514 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H]1c1ccccc1 ZINC000642195272 492340342 /nfs/dbraw/zinc/34/03/42/492340342.db2.gz YAWVUXMUXHJJJG-DZJNRPSUSA-N 2 0 356.470 0.758 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194108 492340420 /nfs/dbraw/zinc/34/04/20/492340420.db2.gz WJMOTKSUMBGAAA-RZQQEMMASA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCCCCC1 ZINC000642220463 492342477 /nfs/dbraw/zinc/34/24/77/492342477.db2.gz HGLUQALFGKSZPA-HRCADAONSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000642236418 492343101 /nfs/dbraw/zinc/34/31/01/492343101.db2.gz OUTPFJVFECCUNN-ATZDWAIDSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000642236420 492343432 /nfs/dbraw/zinc/34/34/32/492343432.db2.gz OUTPFJVFECCUNN-LZQZEXGQSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253919 492345361 /nfs/dbraw/zinc/34/53/61/492345361.db2.gz QMXKHWCEJSUFNV-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253933 492345650 /nfs/dbraw/zinc/34/56/50/492345650.db2.gz RGYFVILNFDCELN-ROUUACIJSA-N 2 0 374.485 0.119 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654758042 492346515 /nfs/dbraw/zinc/34/65/15/492346515.db2.gz OILNFJGSYGRQAV-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642302693 492349704 /nfs/dbraw/zinc/34/97/04/492349704.db2.gz VDCNYJPTTJRASR-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000642322086 492350430 /nfs/dbraw/zinc/35/04/30/492350430.db2.gz HLUIGYNJDKPIFN-YOEHRIQHSA-N 2 0 362.474 0.329 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642330475 492352331 /nfs/dbraw/zinc/35/23/31/492352331.db2.gz LRTJBCNSVDWVOR-GJZGRUSLSA-N 2 0 352.523 0.975 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cnn1C ZINC000647735559 492352944 /nfs/dbraw/zinc/35/29/44/492352944.db2.gz ZUERGBCFRDGSIE-SJORKVTESA-N 2 0 369.473 0.475 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCCCCC1 ZINC000642529980 492362077 /nfs/dbraw/zinc/36/20/77/492362077.db2.gz URLCWPWOTPURDV-YESZJQIVSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642640155 492368217 /nfs/dbraw/zinc/36/82/17/492368217.db2.gz AULBWZQXZQWDIO-ZACQAIPSSA-N 2 0 350.507 0.681 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640704 492368402 /nfs/dbraw/zinc/36/84/02/492368402.db2.gz KLICKWHVAFIYSK-GBESFXJTSA-N 2 0 370.497 0.739 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642645035 492368943 /nfs/dbraw/zinc/36/89/43/492368943.db2.gz GCSAADZBWIDGIJ-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642732675 492382473 /nfs/dbraw/zinc/38/24/73/492382473.db2.gz MKAGNOFFWRSHSN-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642732918 492382863 /nfs/dbraw/zinc/38/28/63/492382863.db2.gz CLJZKHDRVBCNGP-HKUYNNGSSA-N 2 0 370.497 0.761 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C3C[NH+](C4CCCCC4)C3)CCO2)CC1 ZINC000654954850 492383603 /nfs/dbraw/zinc/38/36/03/492383603.db2.gz MJOXVLQFKRUOLU-LJQANCHMSA-N 2 0 364.534 0.726 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642759557 492386940 /nfs/dbraw/zinc/38/69/40/492386940.db2.gz PYQHUJWZPDXYQT-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975857 492388772 /nfs/dbraw/zinc/38/87/72/492388772.db2.gz GXWNFOMBLPUSIA-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977444 492390381 /nfs/dbraw/zinc/39/03/81/492390381.db2.gz BJWBRCJGYCHMTN-ROUUACIJSA-N 2 0 362.518 0.779 20 0 FCADRP CN(C(=O)C(=O)NCC[NH2+]C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000642918968 492403618 /nfs/dbraw/zinc/40/36/18/492403618.db2.gz JHSBRAMEKNNYMR-UHFFFAOYSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924110 492404948 /nfs/dbraw/zinc/40/49/48/492404948.db2.gz LDKMSKBTQVCAPF-WMZOPIPTSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958471 492406445 /nfs/dbraw/zinc/40/64/45/492406445.db2.gz AJJZJGUHOZZFOA-GDBMZVCRSA-N 2 0 366.506 0.693 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979905 492409071 /nfs/dbraw/zinc/40/90/71/492409071.db2.gz OOQRSAQGYPLXKR-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973146 492409480 /nfs/dbraw/zinc/40/94/80/492409480.db2.gz LBYQIVHXHACFPD-LJQANCHMSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000642982012 492410104 /nfs/dbraw/zinc/41/01/04/492410104.db2.gz NSHKIMVRLLLEPJ-AEFFLSMTSA-N 2 0 356.470 0.849 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000642981232 492410292 /nfs/dbraw/zinc/41/02/92/492410292.db2.gz WZHRPFPZVBDAPA-GOSISDBHSA-N 2 0 358.486 0.979 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@H]21 ZINC000642982013 492410552 /nfs/dbraw/zinc/41/05/52/492410552.db2.gz NSHKIMVRLLLEPJ-FUHWJXTLSA-N 2 0 356.470 0.849 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000648180626 492412414 /nfs/dbraw/zinc/41/24/14/492412414.db2.gz JPZQZRQDPRRVDU-ZWKOTPCHSA-N 2 0 353.470 0.995 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643014738 492414704 /nfs/dbraw/zinc/41/47/04/492414704.db2.gz UPXBEKZFXFQWDE-ILYVXUQDSA-N 2 0 374.529 0.966 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621837877 492421698 /nfs/dbraw/zinc/42/16/98/492421698.db2.gz SLMVUBPBQXLZRN-UWVAXJGDSA-N 2 0 356.470 0.717 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000621839505 492422056 /nfs/dbraw/zinc/42/20/56/492422056.db2.gz UHTUNBNNRMMVBM-SYNHAJSKSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)([NH+](C)C)C1 ZINC000621839370 492422604 /nfs/dbraw/zinc/42/26/04/492422604.db2.gz RQEUEEAFKAMIMD-LTDCPUDJSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843270 492424520 /nfs/dbraw/zinc/42/45/20/492424520.db2.gz BRVRCPBGAXHRLV-DYESRHJHSA-N 2 0 370.497 0.542 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233540 492433597 /nfs/dbraw/zinc/43/35/97/492433597.db2.gz VZICBUDFCZGAJN-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)CC2)c1 ZINC000622027835 492443303 /nfs/dbraw/zinc/44/33/03/492443303.db2.gz IHOUMLMLHVAFJA-KUHUBIRLSA-N 2 0 373.457 0.079 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)c1 ZINC000622027833 492443534 /nfs/dbraw/zinc/44/35/34/492443534.db2.gz IHOUMLMLHVAFJA-AUUYWEPGSA-N 2 0 373.457 0.079 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028858 492443566 /nfs/dbraw/zinc/44/35/66/492443566.db2.gz WURYNASEMLAQCG-QFBILLFUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000648769271 492454194 /nfs/dbraw/zinc/45/41/94/492454194.db2.gz OZUGQVNJXRTPLY-IAGOWNOFSA-N 2 0 360.506 0.835 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000643440561 492462096 /nfs/dbraw/zinc/46/20/96/492462096.db2.gz JQHIRPNNKRAHQR-UHFFFAOYSA-N 2 0 359.474 0.719 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635527928 492463982 /nfs/dbraw/zinc/46/39/82/492463982.db2.gz NIZYCWRXFFLSIF-KDURUIRLSA-N 2 0 357.502 0.950 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000648840782 492464303 /nfs/dbraw/zinc/46/43/03/492464303.db2.gz IMQLQNBDBJCSQU-OWCLPIDISA-N 2 0 359.536 0.684 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635557995 492471904 /nfs/dbraw/zinc/47/19/04/492471904.db2.gz GJVHIMXRLNYGQE-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478994 492475528 /nfs/dbraw/zinc/47/55/28/492475528.db2.gz ZKBWVYHHZQZWFT-IRXDYDNUSA-N 2 0 371.485 0.578 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643480985 492477250 /nfs/dbraw/zinc/47/72/50/492477250.db2.gz MGKHJPOUPIZAEB-RTBURBONSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483349 492477899 /nfs/dbraw/zinc/47/78/99/492477899.db2.gz OQIUFFCRPTZYAL-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483362 492478369 /nfs/dbraw/zinc/47/83/69/492478369.db2.gz XYSQRMLDZQCJNW-MSOLQXFVSA-N 2 0 362.518 0.779 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643489791 492479909 /nfs/dbraw/zinc/47/99/09/492479909.db2.gz PZBGORSOLYJHJZ-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643494629 492481427 /nfs/dbraw/zinc/48/14/27/492481427.db2.gz REBFPIFQJLBRIT-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000643494670 492481495 /nfs/dbraw/zinc/48/14/95/492481495.db2.gz WZGNVIBVHOFLTQ-HUUCEWRRSA-N 2 0 354.495 0.141 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[NH2+]1 ZINC000643494619 492481659 /nfs/dbraw/zinc/48/16/59/492481659.db2.gz OIYDYTFSDTYHBN-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000643498779 492482785 /nfs/dbraw/zinc/48/27/85/492482785.db2.gz VKCCUYJCUNIZIG-FGTMMUONSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000643504146 492483832 /nfs/dbraw/zinc/48/38/32/492483832.db2.gz FTXNCJLXODNBOC-SQNIBIBYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CCO1 ZINC000643524295 492489962 /nfs/dbraw/zinc/48/99/62/492489962.db2.gz DWMFXAHVUOBTGQ-DZGCQCFKSA-N 2 0 368.503 0.213 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531829 492491837 /nfs/dbraw/zinc/49/18/37/492491837.db2.gz OXFUIBRWLBMHFA-RYQLBKOJSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643531926 492491862 /nfs/dbraw/zinc/49/18/62/492491862.db2.gz WYUWGYRYSXGOBH-QRVBRYPASA-N 2 0 370.497 0.930 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000643531889 492492455 /nfs/dbraw/zinc/49/24/55/492492455.db2.gz SRSJXPYXDWVKOG-OTWHNJEPSA-N 2 0 370.497 0.930 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532541 492493079 /nfs/dbraw/zinc/49/30/79/492493079.db2.gz TYPJCXCTJYDZCC-OKYOBFRVSA-N 2 0 370.497 0.882 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000643540898 492494287 /nfs/dbraw/zinc/49/42/87/492494287.db2.gz PFYJTRGFERELRR-JFIYKMOQSA-N 2 0 358.486 0.915 20 0 FCADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000655958879 492498233 /nfs/dbraw/zinc/49/82/33/492498233.db2.gz OWLIPJLJXZLMEM-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000643581010 492500052 /nfs/dbraw/zinc/50/00/52/492500052.db2.gz QOCKAOOLMWMMGS-IYBDPMFKSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCCOCC3)CC2)C1 ZINC000655971780 492500161 /nfs/dbraw/zinc/50/01/61/492500161.db2.gz RVNNZYOHVIBXNN-QGZVFWFLSA-N 2 0 353.511 0.130 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000643585845 492500459 /nfs/dbraw/zinc/50/04/59/492500459.db2.gz XRGIRMXWMAWWJH-RYRKJORJSA-N 2 0 358.486 0.928 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000643593651 492502694 /nfs/dbraw/zinc/50/26/94/492502694.db2.gz CAQFCVWAUJNEEE-ULQDDVLXSA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000643594208 492503844 /nfs/dbraw/zinc/50/38/44/492503844.db2.gz MTWUKQCXZXMZIT-KURKYZTESA-N 2 0 362.518 0.777 20 0 FCADRP CN(CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(=O)C1CC1 ZINC000643606789 492505571 /nfs/dbraw/zinc/50/55/71/492505571.db2.gz WNJFAFCVGOSNNH-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022777 492520009 /nfs/dbraw/zinc/52/00/09/492520009.db2.gz LVOQNTMOKWNGEL-YJNKXOJESA-N 2 0 352.479 0.349 20 0 FCADRP C[C@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000649311269 492528435 /nfs/dbraw/zinc/52/84/35/492528435.db2.gz BVHNLBUUXIBMBE-RHSMWYFYSA-N 2 0 354.458 0.989 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC000635943005 492532201 /nfs/dbraw/zinc/53/22/01/492532201.db2.gz JMALUUNYGQHBBA-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000649335645 492537593 /nfs/dbraw/zinc/53/75/93/492537593.db2.gz PZKKJOCJGYKQKK-GOSISDBHSA-N 2 0 360.502 0.585 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000649350181 492543386 /nfs/dbraw/zinc/54/33/86/492543386.db2.gz MPVAEYWXWKIZEB-CQSZACIVSA-N 2 0 353.417 0.694 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000649357784 492547279 /nfs/dbraw/zinc/54/72/79/492547279.db2.gz JZUCXPCROOJFLN-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363568 492547963 /nfs/dbraw/zinc/54/79/63/492547963.db2.gz GEZDOWYMCOXEEI-YESZJQIVSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000649410374 492551434 /nfs/dbraw/zinc/55/14/34/492551434.db2.gz ZAVQONMOBDQDFT-APWZRJJASA-N 2 0 360.502 0.947 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656150503 492557991 /nfs/dbraw/zinc/55/79/91/492557991.db2.gz VYATUOBEXIBVCH-PMPSAXMXSA-N 2 0 351.495 0.765 20 0 FCADRP C[N@@H+]1CCCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571907 492568317 /nfs/dbraw/zinc/56/83/17/492568317.db2.gz LMABFHBKMQVEPY-CVEARBPZSA-N 2 0 353.511 0.605 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000636464057 492592862 /nfs/dbraw/zinc/59/28/62/492592862.db2.gz RKUAOMHPAHOQBY-MRXNPFEDSA-N 2 0 354.495 0.387 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636519338 492607576 /nfs/dbraw/zinc/60/75/76/492607576.db2.gz PDGZNOOKTAJZDD-XHSDSOJGSA-N 2 0 369.510 0.125 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656353971 492609219 /nfs/dbraw/zinc/60/92/19/492609219.db2.gz ADUFPUJHPWUVBU-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP Nc1nc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000623971965 492610663 /nfs/dbraw/zinc/61/06/63/492610663.db2.gz MUDVWALMKJSNSD-LLVKDONJSA-N 2 0 353.352 0.824 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636550208 492619215 /nfs/dbraw/zinc/61/92/15/492619215.db2.gz NMJZOOKFLJORJR-KRWDZBQOSA-N 2 0 365.522 0.857 20 0 FCADRP O=C(NCc1cn(CCC[NH+]2CCSCC2)nn1)C1CC[NH2+]CC1 ZINC000656449741 492623191 /nfs/dbraw/zinc/62/31/91/492623191.db2.gz FUIJXFHOSKTFFO-UHFFFAOYSA-N 2 0 352.508 0.333 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665021 492653968 /nfs/dbraw/zinc/65/39/68/492653968.db2.gz YTMCYZINTRMMBV-RHSMWYFYSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000644152290 492654100 /nfs/dbraw/zinc/65/41/00/492654100.db2.gz RLJJHAYEXQQNFT-IBGZPJMESA-N 2 0 365.522 0.666 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668687 492654634 /nfs/dbraw/zinc/65/46/34/492654634.db2.gz PLZSUIBKSAORCY-WBVHZDCISA-N 2 0 369.469 0.921 20 0 FCADRP COCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOCC1 ZINC000644161393 492655692 /nfs/dbraw/zinc/65/56/92/492655692.db2.gz VAUFERBUUPCTRY-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162147 492656034 /nfs/dbraw/zinc/65/60/34/492656034.db2.gz BFNBZXVWGIABJX-HKUYNNGSSA-N 2 0 365.522 0.130 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000629793213 492674193 /nfs/dbraw/zinc/67/41/93/492674193.db2.gz BGMHDSGTKYSUGT-UHFFFAOYSA-N 2 0 360.502 0.961 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629796782 492676448 /nfs/dbraw/zinc/67/64/48/492676448.db2.gz SNBOSQKXSZABFW-JHJVBQTASA-N 2 0 364.412 0.525 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000629796962 492676475 /nfs/dbraw/zinc/67/64/75/492676475.db2.gz UUGFMZZRYKOOPK-QGZVFWFLSA-N 2 0 368.522 0.535 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000650879850 492680580 /nfs/dbraw/zinc/68/05/80/492680580.db2.gz ZFDWSLFQWWDWQG-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000636762110 492685809 /nfs/dbraw/zinc/68/58/09/492685809.db2.gz OBYZHKOJYBCQDR-UHFFFAOYSA-N 2 0 354.495 0.339 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000629816009 492686852 /nfs/dbraw/zinc/68/68/52/492686852.db2.gz STHQUJBRHDMIST-IAGOWNOFSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644295131 492695766 /nfs/dbraw/zinc/69/57/66/492695766.db2.gz SUMQYRLDYAXNGQ-KURKYZTESA-N 2 0 367.538 0.299 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000636795562 492696493 /nfs/dbraw/zinc/69/64/93/492696493.db2.gz MMZJDVJBOARRHR-ULQDDVLXSA-N 2 0 356.511 0.489 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000636795558 492696560 /nfs/dbraw/zinc/69/65/60/492696560.db2.gz MMZJDVJBOARRHR-BRWVUGGUSA-N 2 0 356.511 0.489 20 0 FCADRP CCOC1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC000624954438 492702564 /nfs/dbraw/zinc/70/25/64/492702564.db2.gz BCYZOCVTLBJIJL-UHFFFAOYSA-N 2 0 365.540 0.327 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CC[N@@H+]1C ZINC000636843862 492707696 /nfs/dbraw/zinc/70/76/96/492707696.db2.gz MIWGLSZTCRFHEX-RVKKMQEKSA-N 2 0 354.495 0.384 20 0 FCADRP C[NH+](CC(=O)N[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708233 /nfs/dbraw/zinc/70/82/33/492708233.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000637036502 492755040 /nfs/dbraw/zinc/75/50/40/492755040.db2.gz LCHQRXWFYMUMLG-MSOLQXFVSA-N 2 0 362.474 0.119 20 0 FCADRP CN(CCC[NH+](C)C)CCn1cc(-c2cccc(NC(=O)C[NH3+])c2)nn1 ZINC000630611834 492755051 /nfs/dbraw/zinc/75/50/51/492755051.db2.gz LMIVHJPYNFICDM-UHFFFAOYSA-N 2 0 359.478 0.726 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630809943 492776889 /nfs/dbraw/zinc/77/68/89/492776889.db2.gz JLNPRMGVBQHZCJ-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000630862821 492779713 /nfs/dbraw/zinc/77/97/13/492779713.db2.gz MZLOYIRODXHXDP-UHFFFAOYSA-N 2 0 362.522 0.733 20 0 FCADRP COc1ccccc1[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000644512836 492780498 /nfs/dbraw/zinc/78/04/98/492780498.db2.gz SGWHLGFOVHNTHO-AEFFLSMTSA-N 2 0 350.507 0.496 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637151764 492782080 /nfs/dbraw/zinc/78/20/80/492782080.db2.gz BHBWKAAZTUCNAM-INIZCTEOSA-N 2 0 365.478 0.278 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000644539385 492783930 /nfs/dbraw/zinc/78/39/30/492783930.db2.gz GKJDCMCWZCUGSZ-HOCLYGCPSA-N 2 0 353.438 0.742 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000637171428 492785142 /nfs/dbraw/zinc/78/51/42/492785142.db2.gz YZLRVOJLCJMSOV-FGTMMUONSA-N 2 0 368.522 0.992 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000644562712 492785376 /nfs/dbraw/zinc/78/53/76/492785376.db2.gz LXPNLJPAYRHACD-FHWLQOOXSA-N 2 0 356.555 0.464 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644562713 492785722 /nfs/dbraw/zinc/78/57/22/492785722.db2.gz LXPNLJPAYRHACD-OTWHNJEPSA-N 2 0 356.555 0.464 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000644610945 492790829 /nfs/dbraw/zinc/79/08/29/492790829.db2.gz AEFGFURJCAYXJY-NUJGCVRESA-N 2 0 366.506 0.582 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631068118 492796497 /nfs/dbraw/zinc/79/64/97/492796497.db2.gz WZWYLHGIZGRGJY-GFCCVEGCSA-N 2 0 360.911 0.713 20 0 FCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373477 492813295 /nfs/dbraw/zinc/81/32/95/492813295.db2.gz QCQWUEJKMVYKEZ-PMPSAXMXSA-N 2 0 351.495 0.594 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000637375488 492814713 /nfs/dbraw/zinc/81/47/13/492814713.db2.gz UTOFHTMIZMNZPG-IRXDYDNUSA-N 2 0 365.522 0.747 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000637376497 492815837 /nfs/dbraw/zinc/81/58/37/492815837.db2.gz KWGWREWOSDOMSA-IRXDYDNUSA-N 2 0 365.522 0.986 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375725 492816312 /nfs/dbraw/zinc/81/63/12/492816312.db2.gz QMLJHHPDULTNHZ-ZBFHGGJFSA-N 2 0 353.511 0.698 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000651848996 492834358 /nfs/dbraw/zinc/83/43/58/492834358.db2.gz PLRCYIQZTZXMIC-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000637639691 492854564 /nfs/dbraw/zinc/85/45/64/492854564.db2.gz OPBKESAWIMNNIO-GFCCVEGCSA-N 2 0 365.404 0.516 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813150 492869517 /nfs/dbraw/zinc/86/95/17/492869517.db2.gz LABICJDOEACBLL-GOSISDBHSA-N 2 0 370.497 0.545 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000631918474 492883765 /nfs/dbraw/zinc/88/37/65/492883765.db2.gz DITWZZLZHGRZRB-UHFFFAOYSA-N 2 0 355.508 0.374 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652144693 492885615 /nfs/dbraw/zinc/88/56/15/492885615.db2.gz OQDRNMAHMRHZDV-INIZCTEOSA-N 2 0 353.511 0.618 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000631928718 492890348 /nfs/dbraw/zinc/89/03/48/492890348.db2.gz LERBETXWOBEGAE-UHFFFAOYSA-N 2 0 367.519 0.816 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940005 492892805 /nfs/dbraw/zinc/89/28/05/492892805.db2.gz NEYMGCOYUKBSJJ-QZTJIDSGSA-N 2 0 372.579 0.665 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)nn1 ZINC000652268568 492902934 /nfs/dbraw/zinc/90/29/34/492902934.db2.gz CEPDBLMTGAWSEK-OAHLLOKOSA-N 2 0 361.425 0.881 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000638089684 492903273 /nfs/dbraw/zinc/90/32/73/492903273.db2.gz CRPQGBSEAKIYJL-SCLBCKFNSA-N 2 0 362.430 0.862 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638090593 492903603 /nfs/dbraw/zinc/90/36/03/492903603.db2.gz ZGUURXVMVCGIRV-UHFFFAOYSA-N 2 0 373.501 0.270 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1)Cc1ccccc1 ZINC000638100710 492905338 /nfs/dbraw/zinc/90/53/38/492905338.db2.gz MQPJXZBHZOZXKW-UHFFFAOYSA-N 2 0 368.485 0.825 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000631996471 492907578 /nfs/dbraw/zinc/90/75/78/492907578.db2.gz DAEURUZHHRIHRR-SFHVURJKSA-N 2 0 372.579 0.904 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638108109 492907667 /nfs/dbraw/zinc/90/76/67/492907667.db2.gz LAHGQKPNDJNNBX-APWZRJJASA-N 2 0 362.474 0.361 20 0 FCADRP C[C@@H](CC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973247 492910036 /nfs/dbraw/zinc/91/00/36/492910036.db2.gz RFQZKGGKARQVTE-UHZRXMQZSA-N 2 0 372.550 0.391 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351173 492914088 /nfs/dbraw/zinc/91/40/88/492914088.db2.gz JIOCHPUBLFKSRS-GUYCJALGSA-N 2 0 366.487 0.723 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632084408 492926123 /nfs/dbraw/zinc/92/61/23/492926123.db2.gz BHBMZEPGVWHWAE-KSZLIROESA-N 2 0 374.595 0.910 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000632197011 492948305 /nfs/dbraw/zinc/94/83/05/492948305.db2.gz FTQDWLAYTBSYAW-KRWDZBQOSA-N 2 0 355.504 0.624 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000652612064 492971100 /nfs/dbraw/zinc/97/11/00/492971100.db2.gz GTPLIUXNUOOHGX-CQSZACIVSA-N 2 0 350.467 0.664 20 0 FCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632336834 492977084 /nfs/dbraw/zinc/97/70/84/492977084.db2.gz PJULTDGFCVLCCK-SJORKVTESA-N 2 0 358.552 0.512 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638837085 492981325 /nfs/dbraw/zinc/98/13/25/492981325.db2.gz XVCMZHSBKAHPPQ-KBAYOESNSA-N 2 0 358.486 0.739 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1=O ZINC000638856232 492982438 /nfs/dbraw/zinc/98/24/38/492982438.db2.gz LJIOYNFBEFLOSU-IRXDYDNUSA-N 2 0 374.489 0.233 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)C1=O ZINC000638856791 492982814 /nfs/dbraw/zinc/98/28/14/492982814.db2.gz TYOPDEHEUZEMRV-IBGZPJMESA-N 2 0 370.497 0.800 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)C1=O ZINC000638856847 492982961 /nfs/dbraw/zinc/98/29/61/492982961.db2.gz VBVDOHUMUJVWCI-ROUUACIJSA-N 2 0 356.470 0.685 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000632369271 492985033 /nfs/dbraw/zinc/98/50/33/492985033.db2.gz NQRFYEGJESTHHO-UKRRQHHQSA-N 2 0 357.524 0.775 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673255 492985258 /nfs/dbraw/zinc/98/52/58/492985258.db2.gz ITFIYNVKAPEIHK-XHSDSOJGSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652682535 492989025 /nfs/dbraw/zinc/98/90/25/492989025.db2.gz MSUSRMVEJUNFKA-HZPDHXFCSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CS2 ZINC000638987099 492990469 /nfs/dbraw/zinc/99/04/69/492990469.db2.gz KUQFXDNOGLIGAA-GUYCJALGSA-N 2 0 361.471 0.884 20 0 FCADRP C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CS2 ZINC000638987097 492990792 /nfs/dbraw/zinc/99/07/92/492990792.db2.gz KUQFXDNOGLIGAA-CXAGYDPISA-N 2 0 361.471 0.884 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000638987243 492990804 /nfs/dbraw/zinc/99/08/04/492990804.db2.gz DPKPGXQEPBXJNS-LLVKDONJSA-N 2 0 371.363 0.841 20 0 FCADRP C[C@H](C(=O)N(C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)n1cccn1 ZINC000638986650 492990978 /nfs/dbraw/zinc/99/09/78/492990978.db2.gz WSAHZCNSAJKJOY-CQSZACIVSA-N 2 0 371.445 0.346 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652704921 492995536 /nfs/dbraw/zinc/99/55/36/492995536.db2.gz WOEFPARNGVAYEI-QGZVFWFLSA-N 2 0 368.522 0.642 20 0 FCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009515 492999717 /nfs/dbraw/zinc/99/97/17/492999717.db2.gz OPSPYJAQNVOOBP-RTBURBONSA-N 2 0 360.502 0.469 20 0 FCADRP COc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1OCC[NH+](C)C ZINC000626591055 493000516 /nfs/dbraw/zinc/00/05/16/493000516.db2.gz JSNOCSLLNZSWHJ-OAHLLOKOSA-N 2 0 366.462 0.824 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000646009629 493001223 /nfs/dbraw/zinc/00/12/23/493001223.db2.gz YCLMNHIBKHYBPN-SQNIBIBYSA-N 2 0 352.523 0.535 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723665 493003625 /nfs/dbraw/zinc/00/36/25/493003625.db2.gz IBDTZBCQKGDESX-UHFFFAOYSA-N 2 0 350.463 0.676 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000652723422 493003636 /nfs/dbraw/zinc/00/36/36/493003636.db2.gz ACZLANQYMFOXCP-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652726660 493005606 /nfs/dbraw/zinc/00/56/06/493005606.db2.gz GZHNGWAGSWPQOM-YESZJQIVSA-N 2 0 366.506 0.286 20 0 FCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000626879796 493045438 /nfs/dbraw/zinc/04/54/38/493045438.db2.gz PYVIDVZTLOKIFH-SFHVURJKSA-N 2 0 374.485 0.962 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000626880212 493046711 /nfs/dbraw/zinc/04/67/11/493046711.db2.gz UGPSLNPYPBCGDT-KRWDZBQOSA-N 2 0 360.458 0.368 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626895229 493054789 /nfs/dbraw/zinc/05/47/89/493054789.db2.gz NOZBHGBBHWQWTM-UHFFFAOYSA-N 2 0 352.435 0.129 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000626923645 493063410 /nfs/dbraw/zinc/06/34/10/493063410.db2.gz YDXVSCZDFIULAD-FUHWJXTLSA-N 2 0 369.473 0.886 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000626922019 493063877 /nfs/dbraw/zinc/06/38/77/493063877.db2.gz MVAGVMMLXQHFFG-UHFFFAOYSA-N 2 0 363.506 0.421 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC[NH+](C)CC1 ZINC000626982125 493075146 /nfs/dbraw/zinc/07/51/46/493075146.db2.gz AWZPWGYSDFUIAT-HNNXBMFYSA-N 2 0 366.510 0.069 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000653124859 493075852 /nfs/dbraw/zinc/07/58/52/493075852.db2.gz JHFZNYTYBRUBPD-RBUKOAKNSA-N 2 0 361.534 0.760 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000633004854 493102125 /nfs/dbraw/zinc/10/21/25/493102125.db2.gz ISQYUEFQENPQDW-BBRMVZONSA-N 2 0 360.462 0.299 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082231 493117749 /nfs/dbraw/zinc/11/77/49/493117749.db2.gz MZDLEALCJLXXKD-KSZLIROESA-N 2 0 371.485 0.467 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259663 493121760 /nfs/dbraw/zinc/12/17/60/493121760.db2.gz XHBHHQHJWCPJRE-WOJBJXKFSA-N 2 0 372.513 0.715 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104664 493128102 /nfs/dbraw/zinc/12/81/02/493128102.db2.gz HCSJRYLXBFIQBB-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316225 493145675 /nfs/dbraw/zinc/14/56/75/493145675.db2.gz CMMWELBOTTWSRW-PTZATXGZSA-N 2 0 360.502 0.338 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000659114136 493160115 /nfs/dbraw/zinc/16/01/15/493160115.db2.gz SRPIJEPVFMQYDX-CYBMUJFWSA-N 2 0 363.462 0.548 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000641167205 493174700 /nfs/dbraw/zinc/17/47/00/493174700.db2.gz FMOQBHATZAXNAJ-QGZVFWFLSA-N 2 0 363.510 0.062 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000627358714 493176303 /nfs/dbraw/zinc/17/63/03/493176303.db2.gz PYEOMJLKRBSMRS-UHFFFAOYSA-N 2 0 361.490 0.122 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)C1 ZINC000659246281 493178544 /nfs/dbraw/zinc/17/85/44/493178544.db2.gz ISCMLJPMQJOWNK-KRWDZBQOSA-N 2 0 364.534 0.901 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659441495 493178620 /nfs/dbraw/zinc/17/86/20/493178620.db2.gz SYLHXYKRHMIVNZ-SJCJKPOMSA-N 2 0 350.467 0.951 20 0 FCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000627362570 493178877 /nfs/dbraw/zinc/17/88/77/493178877.db2.gz QNQUUHDNZAPUAC-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367086 493181691 /nfs/dbraw/zinc/18/16/91/493181691.db2.gz JUUYUKTXYHOAHV-RDJZCZTQSA-N 2 0 362.474 0.057 20 0 FCADRP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000659453309 493183442 /nfs/dbraw/zinc/18/34/42/493183442.db2.gz KWSCZMBLMPQCQX-ZDUSSCGKSA-N 2 0 358.446 0.961 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659463524 493185259 /nfs/dbraw/zinc/18/52/59/493185259.db2.gz WKCKMKVPGWMTLW-UHFFFAOYSA-N 2 0 366.466 0.330 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccco2)C1 ZINC000659318610 493189746 /nfs/dbraw/zinc/18/97/46/493189746.db2.gz RKPZWFXYVFTDDB-HNNXBMFYSA-N 2 0 350.463 0.547 20 0 FCADRP CCO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C ZINC000659318512 493190147 /nfs/dbraw/zinc/19/01/47/493190147.db2.gz INHUWCODXKFMAO-HZPDHXFCSA-N 2 0 356.511 0.212 20 0 FCADRP CN(Cc1cccc(O)c1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659318769 493190600 /nfs/dbraw/zinc/19/06/00/493190600.db2.gz YMAQKZWTYKZYLY-UHFFFAOYSA-N 2 0 350.463 0.302 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539570 493209634 /nfs/dbraw/zinc/20/96/34/493209634.db2.gz RKJRWKYOTHIMAD-OLZOCXBDSA-N 2 0 365.444 0.995 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000672593305 493212092 /nfs/dbraw/zinc/21/20/92/493212092.db2.gz JIDFRFKGLPFVNK-YOEHRIQHSA-N 2 0 364.465 0.973 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)n1 ZINC000659581521 493216012 /nfs/dbraw/zinc/21/60/12/493216012.db2.gz ONVXBVQBWSPSFC-HUUCEWRRSA-N 2 0 374.420 0.725 20 0 FCADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609501 493219777 /nfs/dbraw/zinc/21/97/77/493219777.db2.gz AYVHXVOZOYBHDT-FDYSRKEFSA-N 2 0 357.502 0.854 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000659617857 493222095 /nfs/dbraw/zinc/22/20/95/493222095.db2.gz WGAYGCVPKRTNFA-SFANZJOMSA-N 2 0 358.486 0.921 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000666753432 493222247 /nfs/dbraw/zinc/22/22/47/493222247.db2.gz WJUBCKLSHTXMHQ-INIZCTEOSA-N 2 0 355.527 0.768 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630704 493224152 /nfs/dbraw/zinc/22/41/52/493224152.db2.gz MHUARLLSTMPUQP-UHFFFAOYSA-N 2 0 350.467 0.904 20 0 FCADRP CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](c2ccccc2)C1 ZINC000659632757 493225514 /nfs/dbraw/zinc/22/55/14/493225514.db2.gz FTMLZLMEUPPDFP-HNNXBMFYSA-N 2 0 356.430 0.839 20 0 FCADRP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687578 493233006 /nfs/dbraw/zinc/23/30/06/493233006.db2.gz XQARDSUDWNTWDP-HOCLYGCPSA-N 2 0 350.467 0.772 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672696190 493234762 /nfs/dbraw/zinc/23/47/62/493234762.db2.gz JORRGWXBNRWFFE-INIZCTEOSA-N 2 0 359.474 0.721 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000666927121 493238994 /nfs/dbraw/zinc/23/89/94/493238994.db2.gz GNPQCVLHZDEXMB-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000666972352 493242786 /nfs/dbraw/zinc/24/27/86/493242786.db2.gz XKSQVZQTGDCZIY-KZNAEPCWSA-N 2 0 366.506 0.480 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000659673279 493243727 /nfs/dbraw/zinc/24/37/27/493243727.db2.gz ISLBKWVIPVHGEE-GOEBONIOSA-N 2 0 362.474 0.672 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000659674469 493244287 /nfs/dbraw/zinc/24/42/87/493244287.db2.gz SXTPXTNCVYXYFG-OCCSQVGLSA-N 2 0 366.462 0.147 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000659678985 493246979 /nfs/dbraw/zinc/24/69/79/493246979.db2.gz BJWIOADIYXQHRP-HOTGVXAUSA-N 2 0 366.506 0.258 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000659678410 493247139 /nfs/dbraw/zinc/24/71/39/493247139.db2.gz MDUHPLNMBXYWLB-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[N@@H+]1C1CC1 ZINC000659694531 493257552 /nfs/dbraw/zinc/25/75/52/493257552.db2.gz VJDKZRHVEVDHFD-DJIMGWMZSA-N 2 0 362.518 0.966 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659699067 493260015 /nfs/dbraw/zinc/26/00/15/493260015.db2.gz KGPJCEUGDXHCBK-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659703990 493263277 /nfs/dbraw/zinc/26/32/77/493263277.db2.gz IJABBRMXWSSYPO-WBVHZDCISA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000659707050 493265307 /nfs/dbraw/zinc/26/53/07/493265307.db2.gz GEBPZMCAUQWZTR-PBHICJAKSA-N 2 0 364.465 0.960 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659717125 493269670 /nfs/dbraw/zinc/26/96/70/493269670.db2.gz ZYMVIUWFSQMASU-MSOLQXFVSA-N 2 0 373.501 0.796 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1F ZINC000667262932 493270164 /nfs/dbraw/zinc/27/01/64/493270164.db2.gz QSCIFAPCAGOEPO-AWEZNQCLSA-N 2 0 366.437 0.963 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659722642 493272865 /nfs/dbraw/zinc/27/28/65/493272865.db2.gz FKILEUMLWPBSMG-ZBFHGGJFSA-N 2 0 352.479 0.004 20 0 FCADRP COC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000682169458 493274383 /nfs/dbraw/zinc/27/43/83/493274383.db2.gz YBFQSPDGNJCKNZ-XHSDSOJGSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000667399656 493282524 /nfs/dbraw/zinc/28/25/24/493282524.db2.gz JZRHHOMFHDKQDZ-CRAIPNDOSA-N 2 0 374.485 0.838 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659755763 493286528 /nfs/dbraw/zinc/28/65/28/493286528.db2.gz LXQKLAMMLSFVDC-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000667538626 493289038 /nfs/dbraw/zinc/28/90/38/493289038.db2.gz JAHPPAHRWYBURO-RHSMWYFYSA-N 2 0 360.458 0.776 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccn2nnnc2c1 ZINC000667680557 493296248 /nfs/dbraw/zinc/29/62/48/493296248.db2.gz KDAPLWMZDZJJPG-UHFFFAOYSA-N 2 0 366.429 0.461 20 0 FCADRP CC(C)[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000673470512 493332167 /nfs/dbraw/zinc/33/21/67/493332167.db2.gz OSZWOOFFTBREIC-HZPDHXFCSA-N 2 0 356.511 0.258 20 0 FCADRP CC(CN1CC[NH+](C(C)(C)CO)CC1)C[NH+]1CCN(C(C)(C)CO)CC1 ZINC000673897203 493372466 /nfs/dbraw/zinc/37/24/66/493372466.db2.gz UMLZPSQQWQTIJU-UHFFFAOYSA-N 2 0 370.582 0.400 20 0 FCADRP CC(C)(CO)[NH+]1CCN(C/C=C\CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896581 493372491 /nfs/dbraw/zinc/37/24/91/493372491.db2.gz XKABHAFONVJRAI-WAYWQWQTSA-N 2 0 368.566 0.320 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000668584769 493380295 /nfs/dbraw/zinc/38/02/95/493380295.db2.gz FIZHEVKULWRJSI-QZTJIDSGSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)O1 ZINC000668693537 493398262 /nfs/dbraw/zinc/39/82/62/493398262.db2.gz UBXDUVYUDGWDCU-YHUYYLMFSA-N 2 0 356.511 0.447 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000674326698 493408950 /nfs/dbraw/zinc/40/89/50/493408950.db2.gz LDPMKHNQRLJOGP-KRWDZBQOSA-N 2 0 356.511 0.753 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[N@H+](C)C1CC1 ZINC000668796459 493412394 /nfs/dbraw/zinc/41/23/94/493412394.db2.gz VAZCLLINQFQTNS-AWEZNQCLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450138 /nfs/dbraw/zinc/45/01/38/493450138.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669135303 493466871 /nfs/dbraw/zinc/46/68/71/493466871.db2.gz DSEPTHXFYCVDGV-PBHICJAKSA-N 2 0 350.463 0.885 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685304956 493473369 /nfs/dbraw/zinc/47/33/69/493473369.db2.gz RXNNOCHTDFQFKO-QGPMSJSTSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(C[NH+]1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661978657 493479888 /nfs/dbraw/zinc/47/98/88/493479888.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 2 0 360.502 0.341 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669430850 493503496 /nfs/dbraw/zinc/50/34/96/493503496.db2.gz HGEKROBFROSYSQ-MJGOQNOKSA-N 3 0 372.517 0.987 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669430849 493503833 /nfs/dbraw/zinc/50/38/33/493503833.db2.gz HGEKROBFROSYSQ-IEBWSBKVSA-N 3 0 372.517 0.987 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298996 493504478 /nfs/dbraw/zinc/50/44/78/493504478.db2.gz ZDKNVTWVZUVYDO-PBHICJAKSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000662293783 493504647 /nfs/dbraw/zinc/50/46/47/493504647.db2.gz NTRJFFURCJLABW-GOSISDBHSA-N 2 0 372.517 0.837 20 0 FCADRP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662309809 493505330 /nfs/dbraw/zinc/50/53/30/493505330.db2.gz DVHVLVGRYBBPOL-KRWDZBQOSA-N 2 0 352.504 0.798 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486547 493506442 /nfs/dbraw/zinc/50/64/42/493506442.db2.gz WGUUSAHWBPGZTK-SJORKVTESA-N 2 0 353.511 0.210 20 0 FCADRP C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH+](C)CC1 ZINC000669490649 493507354 /nfs/dbraw/zinc/50/73/54/493507354.db2.gz RQTJWBHAICJXRL-NVXWUHKLSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000669490330 493507379 /nfs/dbraw/zinc/50/73/79/493507379.db2.gz AKKDVQSHKNVHMY-GOEBONIOSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685647946 493507833 /nfs/dbraw/zinc/50/78/33/493507833.db2.gz GUWTYGNMAREYOE-INIZCTEOSA-N 2 0 353.488 0.758 20 0 FCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337598 493507919 /nfs/dbraw/zinc/50/79/19/493507919.db2.gz LUOQFZRUUKUXTM-IRXDYDNUSA-N 2 0 362.522 0.719 20 0 FCADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336132 493508085 /nfs/dbraw/zinc/50/80/85/493508085.db2.gz VSBVIKOUPYEQQL-CYBMUJFWSA-N 2 0 374.493 0.776 20 0 FCADRP CCOC1CC(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)(N2CCOCC2)C1 ZINC000669571503 493511465 /nfs/dbraw/zinc/51/14/65/493511465.db2.gz VICNQERKXLQKFC-LCMLCXGQSA-N 2 0 354.495 0.825 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994312 493516909 /nfs/dbraw/zinc/51/69/09/493516909.db2.gz ABNRCCWGNBFPEB-DOTOQJQBSA-N 2 0 365.522 0.665 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cnn1C ZINC000662492587 493520396 /nfs/dbraw/zinc/52/03/96/493520396.db2.gz YHUHCMDPKWRVEL-BPQIPLTHSA-N 2 0 361.490 0.212 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662691707 493532141 /nfs/dbraw/zinc/53/21/41/493532141.db2.gz ICBNKNUFGZZFSO-OAHLLOKOSA-N 2 0 350.467 0.433 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704662 493533050 /nfs/dbraw/zinc/53/30/50/493533050.db2.gz JOAPTDCTAOVTAH-RISCZKNCSA-N 2 0 350.385 0.232 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712096 493533537 /nfs/dbraw/zinc/53/35/37/493533537.db2.gz PXJZREPUYLUPND-SWLSCSKDSA-N 2 0 364.412 0.587 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662755492 493539036 /nfs/dbraw/zinc/53/90/36/493539036.db2.gz CFOJIKNKILHBEW-MOPGFXCFSA-N 2 0 360.502 0.804 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758121 493539810 /nfs/dbraw/zinc/53/98/10/493539810.db2.gz OMCKZYOJIZHXEI-ZDUSSCGKSA-N 2 0 350.438 0.479 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000662895653 493550062 /nfs/dbraw/zinc/55/00/62/493550062.db2.gz FIUCYSIXAWLADX-NCOADZHNSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000662989048 493565140 /nfs/dbraw/zinc/56/51/40/493565140.db2.gz ZAYRACBCKRNKIF-WBVHZDCISA-N 2 0 367.538 0.057 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000670545575 493579413 /nfs/dbraw/zinc/57/94/13/493579413.db2.gz XAWWXHYBBPLLBV-INIZCTEOSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000670572459 493580208 /nfs/dbraw/zinc/58/02/08/493580208.db2.gz BMHDNKJOUOZJLB-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000670709366 493589365 /nfs/dbraw/zinc/58/93/65/493589365.db2.gz OTKDYOHWUTXAEA-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670782778 493596596 /nfs/dbraw/zinc/59/65/96/493596596.db2.gz LFIUYOWXUCWBKF-QGZVFWFLSA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000663585438 493602064 /nfs/dbraw/zinc/60/20/64/493602064.db2.gz JFLQDMJRPDFVBU-IRXDYDNUSA-N 2 0 350.463 0.443 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670877846 493608237 /nfs/dbraw/zinc/60/82/37/493608237.db2.gz IDPOFUNEXOGDBS-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000677740146 493614708 /nfs/dbraw/zinc/61/47/08/493614708.db2.gz VQVGICYKSLGWCO-XMTFNYHQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2CN(C)CCO2)cn1)[C@@H]1CN(C)CCO1 ZINC000663730421 493615640 /nfs/dbraw/zinc/61/56/40/493615640.db2.gz PXVKKGHAGFAKND-FZKCQIBNSA-N 2 0 364.494 0.739 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000670984968 493620666 /nfs/dbraw/zinc/62/06/66/493620666.db2.gz BHSIHPQBQQZPJD-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671099215 493632898 /nfs/dbraw/zinc/63/28/98/493632898.db2.gz AEZRFJHVGBNEIA-RCCFBDPRSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000671102353 493633598 /nfs/dbraw/zinc/63/35/98/493633598.db2.gz YIFMIPFIHPBZDA-IKGGRYGDSA-N 2 0 366.506 0.347 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664066073 493634043 /nfs/dbraw/zinc/63/40/43/493634043.db2.gz QYADGDIJTYUILP-IAGOWNOFSA-N 2 0 354.495 0.338 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000671108079 493635538 /nfs/dbraw/zinc/63/55/38/493635538.db2.gz MQOMOUOKQCIBIN-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671108361 493636631 /nfs/dbraw/zinc/63/66/31/493636631.db2.gz OIDMRNZOYDMIPA-ZACQAIPSSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671122982 493639141 /nfs/dbraw/zinc/63/91/41/493639141.db2.gz XFVJTCZUQXXPHI-OAHLLOKOSA-N 2 0 357.458 0.331 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000671122641 493639379 /nfs/dbraw/zinc/63/93/79/493639379.db2.gz DWLCJJRLMWJZCM-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000671171653 493645059 /nfs/dbraw/zinc/64/50/59/493645059.db2.gz BELMTXDWOYXDJL-KRWDZBQOSA-N 2 0 369.554 0.221 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000671170706 493645201 /nfs/dbraw/zinc/64/52/01/493645201.db2.gz FILMEWNNNGAACX-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664222099 493645994 /nfs/dbraw/zinc/64/59/94/493645994.db2.gz AAGXEGDDGKKVGE-UHFFFAOYSA-N 2 0 355.527 0.770 20 0 FCADRP C[C@@H]1CN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)CO1 ZINC000664473004 493661961 /nfs/dbraw/zinc/66/19/61/493661961.db2.gz JHCWUKGQGPBSFG-IDCNUPLLSA-N 2 0 368.522 0.773 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404574 493666616 /nfs/dbraw/zinc/66/66/16/493666616.db2.gz NUKXQTMBTYXDRE-DLBZAZTESA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H]1O ZINC000664625349 493673286 /nfs/dbraw/zinc/67/32/86/493673286.db2.gz MTPOXKULMYVNFE-BZSNNMDCSA-N 2 0 362.474 0.070 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000665458299 493716103 /nfs/dbraw/zinc/71/61/03/493716103.db2.gz CDIWFBLAKUSHFI-GOSISDBHSA-N 2 0 368.522 0.849 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556081 493723128 /nfs/dbraw/zinc/72/31/28/493723128.db2.gz QJKXWOMSLANYDO-JKSUJKDBSA-N 2 0 365.522 0.807 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672011730 493724626 /nfs/dbraw/zinc/72/46/26/493724626.db2.gz VSTDLNOIDVBGOH-OAHLLOKOSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000672165939 493740080 /nfs/dbraw/zinc/74/00/80/493740080.db2.gz UAQANFAXDHIGLP-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672305134 493752170 /nfs/dbraw/zinc/75/21/70/493752170.db2.gz CTXAJDWIJIGPOM-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000672311501 493755268 /nfs/dbraw/zinc/75/52/68/493755268.db2.gz FFSRBFHZZIQAGE-UAGQMJEPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[C@H](C)O1 ZINC000187300586 534467849 /nfs/dbraw/zinc/46/78/49/534467849.db2.gz MATMBKGSJXIWLS-ZACQAIPSSA-N 2 0 370.538 0.972 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000410431100 527802613 /nfs/dbraw/zinc/80/26/13/527802613.db2.gz GSCNZDZEOWYNKL-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000410494962 527805576 /nfs/dbraw/zinc/80/55/76/527805576.db2.gz UBDDVXZZYHRWTJ-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845233 527823957 /nfs/dbraw/zinc/82/39/57/527823957.db2.gz QMQVWNMIESDFTK-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410946141 527891063 /nfs/dbraw/zinc/89/10/63/527891063.db2.gz PAUHQAAKJBZJLD-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000410945931 527891630 /nfs/dbraw/zinc/89/16/30/527891630.db2.gz ONPPYLUKEYESLN-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000411027613 529059569 /nfs/dbraw/zinc/05/95/69/529059569.db2.gz OVASTLAAWKZIOJ-IAGOWNOFSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C2)CC1 ZINC000410886361 529152202 /nfs/dbraw/zinc/15/22/02/529152202.db2.gz NORXAFFXWRGJIL-KRWDZBQOSA-N 2 0 367.538 0.023 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000446364780 535043153 /nfs/dbraw/zinc/04/31/53/535043153.db2.gz UTDRWSNQFKMNFQ-YYAJDYIMSA-N 2 0 351.491 0.700 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414665774 535109784 /nfs/dbraw/zinc/10/97/84/535109784.db2.gz VXTWLRHIKAIMOI-SFHVURJKSA-N 2 0 374.485 0.744 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419131304 535200677 /nfs/dbraw/zinc/20/06/77/535200677.db2.gz CJAXXIFFFVWXIU-ZDUSSCGKSA-N 2 0 352.504 0.930 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639972 535207728 /nfs/dbraw/zinc/20/77/28/535207728.db2.gz VXDYEFBLSCONID-CHWSQXEVSA-N 2 0 352.401 0.048 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419756987 535296645 /nfs/dbraw/zinc/29/66/45/535296645.db2.gz BXJLEFSPQKXVPR-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000419966619 535305392 /nfs/dbraw/zinc/30/53/92/535305392.db2.gz YTOJQUNKIKTUAQ-HUUCEWRRSA-N 2 0 354.495 0.188 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000419534199 535439402 /nfs/dbraw/zinc/43/94/02/535439402.db2.gz JOVDOMFBWIOXLI-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839705 535522923 /nfs/dbraw/zinc/52/29/23/535522923.db2.gz HUJSGAAJULQEHA-CYBMUJFWSA-N 2 0 366.428 0.977 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423658823 535542847 /nfs/dbraw/zinc/54/28/47/535542847.db2.gz YCEGMNLAVKKMIH-CVEARBPZSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423527511 535542881 /nfs/dbraw/zinc/54/28/81/535542881.db2.gz RPOGIVZZZYMEHW-HNNXBMFYSA-N 2 0 354.495 0.286 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423722401 535542955 /nfs/dbraw/zinc/54/29/55/535542955.db2.gz GAVZEFQLQJKBPH-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935709 535551622 /nfs/dbraw/zinc/55/16/22/535551622.db2.gz ASHFIDWAAJEICT-GVDBMIGSSA-N 2 0 350.507 0.953 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1=O ZINC000442618075 535551990 /nfs/dbraw/zinc/55/19/90/535551990.db2.gz NXHXBPXXHNTWBS-GVDBMIGSSA-N 2 0 350.507 0.907 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860233 535597362 /nfs/dbraw/zinc/59/73/62/535597362.db2.gz KRCWEYSHQZYXNF-ROUUACIJSA-N 2 0 373.501 0.748 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)CC(C)C ZINC000419128297 535668703 /nfs/dbraw/zinc/66/87/03/535668703.db2.gz WACGASAVUMWLFB-JKSUJKDBSA-N 2 0 356.511 0.435 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)CC(C)C ZINC000419125285 535669828 /nfs/dbraw/zinc/66/98/28/535669828.db2.gz JRVHFTFVNOXWMO-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972897 535856584 /nfs/dbraw/zinc/85/65/84/535856584.db2.gz ZYEZGBYMMMKCHP-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972895 535856696 /nfs/dbraw/zinc/85/66/96/535856696.db2.gz ZYEZGBYMMMKCHP-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419877820 535863451 /nfs/dbraw/zinc/86/34/51/535863451.db2.gz IVJCIDDANOPDKL-OAHLLOKOSA-N 2 0 352.866 0.708 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423368786 535865855 /nfs/dbraw/zinc/86/58/55/535865855.db2.gz NNZDOQLCYWSEPJ-USXIJHARSA-N 2 0 362.474 0.756 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000419216349 535903799 /nfs/dbraw/zinc/90/37/99/535903799.db2.gz OZERFOJAXGDJMU-UHFFFAOYSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000423830063 536003303 /nfs/dbraw/zinc/00/33/03/536003303.db2.gz AKFDYOCWSGLLFQ-INIZCTEOSA-N 2 0 350.438 0.762 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000419405045 536122853 /nfs/dbraw/zinc/12/28/53/536122853.db2.gz HCCCSYGDBUKXNW-CVEARBPZSA-N 2 0 366.437 0.039 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000419909247 536122898 /nfs/dbraw/zinc/12/28/98/536122898.db2.gz FZNVKPLAMKVHQZ-BBRMVZONSA-N 2 0 350.438 0.660 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419779714 536349921 /nfs/dbraw/zinc/34/99/21/536349921.db2.gz PQMOOVCXRNAJID-INIZCTEOSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419194813 536368063 /nfs/dbraw/zinc/36/80/63/536368063.db2.gz UETYGWUTSRWTPC-GOSISDBHSA-N 2 0 358.486 0.630 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419152547 536417205 /nfs/dbraw/zinc/41/72/05/536417205.db2.gz ONSOEZFPFCUGDD-GJZGRUSLSA-N 2 0 364.515 0.897 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890989 536433188 /nfs/dbraw/zinc/43/31/88/536433188.db2.gz JEWLJOXTTGNBQA-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419878212 536433727 /nfs/dbraw/zinc/43/37/27/536433727.db2.gz YSEBXFDBXIIFJV-WMZOPIPTSA-N 2 0 358.486 0.820 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423307355 536449025 /nfs/dbraw/zinc/44/90/25/536449025.db2.gz MZQIXRCMWMHJPP-MSOLQXFVSA-N 2 0 374.485 0.153 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419757788 536481063 /nfs/dbraw/zinc/48/10/63/536481063.db2.gz DCZVMSZNVOINJK-ROUUACIJSA-N 2 0 358.486 0.867 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424164231 536546352 /nfs/dbraw/zinc/54/63/52/536546352.db2.gz YTNDASICWKHMIX-OAHLLOKOSA-N 2 0 350.467 0.433 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000423667225 536734569 /nfs/dbraw/zinc/73/45/69/536734569.db2.gz IYKBHMQXENWAKW-IRXDYDNUSA-N 2 0 366.506 0.428 20 0 FCADRP C[C@@H](NC(=O)N(C)CC(C)(C)CN1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000131658885 546570627 /nfs/dbraw/zinc/57/06/27/546570627.db2.gz OWOAWDFHKNSIRK-CVEARBPZSA-N 2 0 356.511 0.705 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418506545 546907015 /nfs/dbraw/zinc/90/70/15/546907015.db2.gz IOZILORYKPZZLY-SJORKVTESA-N 2 0 350.463 0.676 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1C[C@@H](C)O ZINC000433406292 546921603 /nfs/dbraw/zinc/92/16/03/546921603.db2.gz NNKDUJADXWJFAE-RBSFLKMASA-N 2 0 350.467 0.120 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800258 546959624 /nfs/dbraw/zinc/95/96/24/546959624.db2.gz AYMWYGDFBCASOR-WMZOPIPTSA-N 2 0 353.511 0.176 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000550329695 547083049 /nfs/dbraw/zinc/08/30/49/547083049.db2.gz GYNPDJDOMORWFJ-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502465 547089605 /nfs/dbraw/zinc/08/96/05/547089605.db2.gz PCACTTPMZFIIDD-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835717 547109794 /nfs/dbraw/zinc/10/97/94/547109794.db2.gz MCTBGMKJPCQISV-QAPCUYQASA-N 2 0 370.563 0.777 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903877 547114275 /nfs/dbraw/zinc/11/42/75/547114275.db2.gz LARHLENHJVOUFE-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550907869 547114348 /nfs/dbraw/zinc/11/43/48/547114348.db2.gz DQCQHUIYLMMSIA-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C[NH+]1CCCC1 ZINC000551110833 547126408 /nfs/dbraw/zinc/12/64/08/547126408.db2.gz BGHPCNSSMFTILU-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000551490138 547148132 /nfs/dbraw/zinc/14/81/32/547148132.db2.gz LLFSLLYHRQSTBD-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000552364060 547204973 /nfs/dbraw/zinc/20/49/73/547204973.db2.gz UBCNKMBHNMQVDN-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000552623014 547219691 /nfs/dbraw/zinc/21/96/91/547219691.db2.gz WRUIBJBZIMESHF-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000553267514 547265096 /nfs/dbraw/zinc/26/50/96/547265096.db2.gz XIIFWIGWMIJFHR-AWEZNQCLSA-N 2 0 354.495 0.202 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000553279675 547266418 /nfs/dbraw/zinc/26/64/18/547266418.db2.gz CFKOECUPCODZJO-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000553394426 547275415 /nfs/dbraw/zinc/27/54/15/547275415.db2.gz OVULHAYNLXWCNG-JYJNAYRXSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)nc1C ZINC000553480081 547282385 /nfs/dbraw/zinc/28/23/85/547282385.db2.gz ZKXHFYCAPVVYAF-OAHLLOKOSA-N 2 0 357.524 0.765 20 0 FCADRP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nc(C)cs1 ZINC000553669591 547299621 /nfs/dbraw/zinc/29/96/21/547299621.db2.gz HICLQHRAMYDDCQ-AWEZNQCLSA-N 2 0 369.535 0.971 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736762229 599033351 /nfs/dbraw/zinc/03/33/51/599033351.db2.gz ODLAAUOXWNPFSV-UHFFFAOYSA-N 2 0 360.466 0.607 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C ZINC000950248441 674423565 /nfs/dbraw/zinc/42/35/65/674423565.db2.gz XHZQNVZXXULCCP-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000950800663 674439373 /nfs/dbraw/zinc/43/93/73/674439373.db2.gz QYLUZHQXVBUPHM-MUIFIZLQSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000954412420 674496689 /nfs/dbraw/zinc/49/66/89/674496689.db2.gz HXQRXJOOKJRBTG-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC[N@@H+]1C ZINC000954413346 674497048 /nfs/dbraw/zinc/49/70/48/674497048.db2.gz ZMLNWKFKNMXKKQ-GVDBMIGSSA-N 2 0 352.523 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000955110046 674509306 /nfs/dbraw/zinc/50/93/06/674509306.db2.gz KITOFSHGVAXHCU-NVXWUHKLSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825453507 607718895 /nfs/dbraw/zinc/71/88/95/607718895.db2.gz VJEQCVFFNUCMJB-CYBMUJFWSA-N 2 0 360.466 0.683 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000729617307 665736408 /nfs/dbraw/zinc/73/64/08/665736408.db2.gz ABEFYFGEEAKZFX-QBPKDAKJSA-N 2 0 352.479 0.090 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778905 665772156 /nfs/dbraw/zinc/77/21/56/665772156.db2.gz JBXOVKYSYDAKDJ-GJZGRUSLSA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000924631368 665856249 /nfs/dbraw/zinc/85/62/49/665856249.db2.gz MDLQYLWPUZMSGA-FUHWJXTLSA-N 2 0 374.595 0.908 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898579545 665887533 /nfs/dbraw/zinc/88/75/33/665887533.db2.gz QEGIHZGDQVBJBR-SFHVURJKSA-N 2 0 351.491 0.714 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)CC[N@@H+]1C ZINC001022109709 663405864 /nfs/dbraw/zinc/40/58/64/663405864.db2.gz RPDUTZCDZZZPRW-DMRKSPOLSA-N 2 0 350.507 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022109406 663406108 /nfs/dbraw/zinc/40/61/08/663406108.db2.gz MKWWFBIWISQGMY-UHDSXZAQSA-N 2 0 371.547 0.778 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891480309 663408720 /nfs/dbraw/zinc/40/87/20/663408720.db2.gz AYIJSFKKDOZBOY-HDMKZQKVSA-N 2 0 351.495 0.513 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891480313 663408903 /nfs/dbraw/zinc/40/89/03/663408903.db2.gz AYIJSFKKDOZBOY-RLFYNMQTSA-N 2 0 351.495 0.513 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891484329 663409131 /nfs/dbraw/zinc/40/91/31/663409131.db2.gz UPXBQRWFUSNTRC-HOTGVXAUSA-N 2 0 353.511 0.842 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891535635 663412750 /nfs/dbraw/zinc/41/27/50/663412750.db2.gz LKRGYKVVRYQHPO-QAPCUYQASA-N 2 0 351.495 0.513 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891535636 663412771 /nfs/dbraw/zinc/41/27/71/663412771.db2.gz LKRGYKVVRYQHPO-YJBOKZPZSA-N 2 0 351.495 0.513 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559640 663415455 /nfs/dbraw/zinc/41/54/55/663415455.db2.gz GSYOXMXGXLXXMB-ZIAGYGMSSA-N 2 0 359.465 0.699 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000891600570 663417850 /nfs/dbraw/zinc/41/78/50/663417850.db2.gz CRVIVRPTAZKAGO-MCIONIFRSA-N 2 0 365.444 0.649 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)[NH+](C)C ZINC001022223355 663421216 /nfs/dbraw/zinc/42/12/16/663421216.db2.gz DIBQZUVVIOIAMF-YESZJQIVSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000891700269 663429466 /nfs/dbraw/zinc/42/94/66/663429466.db2.gz XZCKPJBIGRWYHH-IYBDPMFKSA-N 2 0 374.551 0.300 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCCOCC[NH+](C)C)c1 ZINC000891844829 663442081 /nfs/dbraw/zinc/44/20/81/663442081.db2.gz PMZRQJYEQSVJOM-KRWDZBQOSA-N 2 0 350.463 0.929 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933848608 663444735 /nfs/dbraw/zinc/44/47/35/663444735.db2.gz PPYZTQMVJFUPQY-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000891880951 663446014 /nfs/dbraw/zinc/44/60/14/663446014.db2.gz QCLBUFFIEWLKTC-CHWSQXEVSA-N 2 0 365.444 0.791 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000891903656 663448149 /nfs/dbraw/zinc/44/81/49/663448149.db2.gz PILRSBMETUBVGQ-UHFFFAOYSA-N 2 0 355.527 0.160 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892072976 663473187 /nfs/dbraw/zinc/47/31/87/663473187.db2.gz WOAKHOOWPOUEBT-QGZVFWFLSA-N 2 0 351.495 0.002 20 0 FCADRP C[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000892096933 663475762 /nfs/dbraw/zinc/47/57/62/663475762.db2.gz KJSIXSDEASKMQC-LSDHHAIUSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000892191084 663488206 /nfs/dbraw/zinc/48/82/06/663488206.db2.gz JVYNZSSPYMBIIG-CWQOZTLDSA-N 3 0 351.539 0.755 20 0 FCADRP [NH3+]CCCCCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892212025 663492594 /nfs/dbraw/zinc/49/25/94/663492594.db2.gz OYSQKPOKUGEWHI-QGZVFWFLSA-N 2 0 355.527 0.601 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000888982369 663531249 /nfs/dbraw/zinc/53/12/49/663531249.db2.gz PKSOVKCASPHODQ-UHFFFAOYSA-N 2 0 353.555 0.498 20 0 FCADRP CN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+](C)CC1 ZINC000888983552 663549453 /nfs/dbraw/zinc/54/94/53/663549453.db2.gz HJMHAEDIIQPSNZ-KRWDZBQOSA-N 2 0 354.564 0.910 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892336032 663574633 /nfs/dbraw/zinc/57/46/33/663574633.db2.gz YKNSQCPOSRGQBJ-DLBZAZTESA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001023377658 663620254 /nfs/dbraw/zinc/62/02/54/663620254.db2.gz SNWCVMPCTNHSSG-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892594367 664045443 /nfs/dbraw/zinc/04/54/43/664045443.db2.gz JESBARKSQVKESB-ZBFHGGJFSA-N 2 0 352.504 0.746 20 0 FCADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892751222 664136421 /nfs/dbraw/zinc/13/64/21/664136421.db2.gz MYPGSHHXBMYVLX-GOEBONIOSA-N 2 0 352.504 0.746 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892820856 664146564 /nfs/dbraw/zinc/14/65/64/664146564.db2.gz WRONKVPUKAXYMP-WCXIOVBPSA-N 2 0 352.479 0.090 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818296 664195280 /nfs/dbraw/zinc/19/52/80/664195280.db2.gz NKRWCKUNCDSIKC-VRXFMZDNSA-N 2 0 351.491 0.567 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052221 664202091 /nfs/dbraw/zinc/20/20/91/664202091.db2.gz DKPSVRDSXNKGLT-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000974193084 664227869 /nfs/dbraw/zinc/22/78/69/664227869.db2.gz YDITZKVUEBQRNP-NNXHMXCWSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974589367 664266047 /nfs/dbraw/zinc/26/60/47/664266047.db2.gz UOTLAQGPJOPVHN-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)[NH+](C)C ZINC000974593069 664267415 /nfs/dbraw/zinc/26/74/15/664267415.db2.gz VFKNMPTZZHTZFN-IXDOHACOSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)[NH+](C)C ZINC000975715182 664342862 /nfs/dbraw/zinc/34/28/62/664342862.db2.gz WZWSEDKQOHVERO-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)[NH+](C)C ZINC000975715185 664342865 /nfs/dbraw/zinc/34/28/65/664342865.db2.gz WZWSEDKQOHVERO-ULQDDVLXSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000976595458 664390583 /nfs/dbraw/zinc/39/05/83/664390583.db2.gz KIFWTIBDABSPRV-FFRIZKCHSA-N 2 0 350.507 0.486 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC000976609517 664392091 /nfs/dbraw/zinc/39/20/91/664392091.db2.gz NNALZEKTLLRSRF-ZDGDKENJSA-N 2 0 350.507 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001028551011 664901622 /nfs/dbraw/zinc/90/16/22/664901622.db2.gz XJEBVSMREWJLAD-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894163737 664902075 /nfs/dbraw/zinc/90/20/75/664902075.db2.gz GQGNDYMXDOYLGB-IAGOWNOFSA-N 2 0 356.511 0.585 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727084473 665024388 /nfs/dbraw/zinc/02/43/88/665024388.db2.gz DTLWNSSRYGBZIP-HNNXBMFYSA-N 2 0 371.595 0.981 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984895705 665113848 /nfs/dbraw/zinc/11/38/48/665113848.db2.gz NNBINMVQOSPUAH-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000984898865 665114456 /nfs/dbraw/zinc/11/44/56/665114456.db2.gz TUUTVJAVOCEIHQ-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC)[NH+](C)C ZINC000985164997 665138320 /nfs/dbraw/zinc/13/83/20/665138320.db2.gz YQEIOMFCLVGQPJ-XHSDSOJGSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987464022 665255270 /nfs/dbraw/zinc/25/52/70/665255270.db2.gz MBHQTVLBARXDNU-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000987469384 665255732 /nfs/dbraw/zinc/25/57/32/665255732.db2.gz RUGFZAAYIBFABS-PMPSAXMXSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897433239 665258694 /nfs/dbraw/zinc/25/86/94/665258694.db2.gz SPCFFPCJIRZPOU-INIZCTEOSA-N 2 0 353.511 0.524 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)CC[N@@H+]1C ZINC000988107480 665276602 /nfs/dbraw/zinc/27/66/02/665276602.db2.gz TUBCNYVLDMYSKT-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000888169349 665284890 /nfs/dbraw/zinc/28/48/90/665284890.db2.gz HNDPEGRIPHFEAK-CVEARBPZSA-N 2 0 353.511 0.868 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000897441292 665288364 /nfs/dbraw/zinc/28/83/64/665288364.db2.gz BTERQSSTAPMCEO-KURKYZTESA-N 2 0 351.539 0.996 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905334429 666019909 /nfs/dbraw/zinc/01/99/09/666019909.db2.gz IGFGSMMWUWZBKX-UHFFFAOYSA-N 2 0 367.519 0.252 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000905339080 666020411 /nfs/dbraw/zinc/02/04/11/666020411.db2.gz XCDUEWVYCYYHPD-UHFFFAOYSA-N 2 0 359.536 0.893 20 0 FCADRP C[NH+](C)CCCNC(=S)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905556387 666028042 /nfs/dbraw/zinc/02/80/42/666028042.db2.gz QXMLVALRJPFIHW-MRXNPFEDSA-N 2 0 357.568 0.199 20 0 FCADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908120462 666186966 /nfs/dbraw/zinc/18/69/66/666186966.db2.gz VRDKYDLOXJUUQP-ADKAHSJRSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419160300 674726807 /nfs/dbraw/zinc/72/68/07/674726807.db2.gz YWSHGQKLZSYKKH-QFBILLFUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000910993628 666302961 /nfs/dbraw/zinc/30/29/61/666302961.db2.gz SZFWZCXLABIVSL-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911339760 666341235 /nfs/dbraw/zinc/34/12/35/666341235.db2.gz YKSWMDGJGZOIHX-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911339759 666341279 /nfs/dbraw/zinc/34/12/79/666341279.db2.gz YKSWMDGJGZOIHX-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911561476 666366363 /nfs/dbraw/zinc/36/63/63/666366363.db2.gz HAQDSBWKUORQLJ-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N(CCO)C2CC[NH+](C)CC2)CC1 ZINC000911942124 666382265 /nfs/dbraw/zinc/38/22/65/666382265.db2.gz LMJSJMGQXSAYNM-UHFFFAOYSA-N 2 0 354.539 0.708 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000938681396 666477238 /nfs/dbraw/zinc/47/72/38/666477238.db2.gz MEGNFTFMFQQRAW-OWCLPIDISA-N 2 0 350.507 0.870 20 0 FCADRP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912811523 666479263 /nfs/dbraw/zinc/47/92/63/666479263.db2.gz KLZZMVGYBLRYPA-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000939120997 666502034 /nfs/dbraw/zinc/50/20/34/666502034.db2.gz UYZCPNWWOWAUEM-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000939122684 666502446 /nfs/dbraw/zinc/50/24/46/666502446.db2.gz BVCPDFISHRGYNZ-NCOADZHNSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000940756303 666561428 /nfs/dbraw/zinc/56/14/28/666561428.db2.gz SSFVTODCOVKLEH-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992316155 666633273 /nfs/dbraw/zinc/63/32/73/666633273.db2.gz AKYKZIVHTATZAZ-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000944529706 666848162 /nfs/dbraw/zinc/84/81/62/666848162.db2.gz XJWVEWWAYVZYID-FPCVCCKLSA-N 2 0 354.495 0.009 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)c1nc(CNC(=O)[C@H]2CC[NH+](C)C2)cs1 ZINC000732911752 666909713 /nfs/dbraw/zinc/90/97/13/666909713.db2.gz GWIZWIQAXVXVAA-QWHCGFSZSA-N 2 0 365.503 0.626 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994031513 666959064 /nfs/dbraw/zinc/95/90/64/666959064.db2.gz IJTRVLUHWSLAAJ-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000997793590 667176383 /nfs/dbraw/zinc/17/63/83/667176383.db2.gz RNZYKDCEOWWLNW-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC001002245695 667526228 /nfs/dbraw/zinc/52/62/28/667526228.db2.gz ICWRUFQKSQLVJP-MXASKKJJSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001002249387 667526852 /nfs/dbraw/zinc/52/68/52/667526852.db2.gz ZFFTYOQYVYVOSA-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@@H+]1C ZINC001002262069 667527682 /nfs/dbraw/zinc/52/76/82/667527682.db2.gz BYBFSZVFXMJHMX-GVDBMIGSSA-N 2 0 350.507 0.632 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](C3CCOCC3)C1)C2=O ZINC000754781421 667610470 /nfs/dbraw/zinc/61/04/70/667610470.db2.gz DFCMSMHSUYLKKA-OAHLLOKOSA-N 2 0 350.463 0.709 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCO1 ZINC000755236640 667627309 /nfs/dbraw/zinc/62/73/09/667627309.db2.gz RVOBFHGACXXFMC-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC(N)=O)CC2)CC[N@@H+]1C ZINC001004450615 667687214 /nfs/dbraw/zinc/68/72/14/667687214.db2.gz NNTBOTRGXPUURV-BBWFWOEESA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000946804296 667728582 /nfs/dbraw/zinc/72/85/82/667728582.db2.gz JBLOIGMUFHREJA-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001034217807 667749849 /nfs/dbraw/zinc/74/98/49/667749849.db2.gz VINUYZMUATURFZ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nnc(CNC[C@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)s1 ZINC001034971821 667772349 /nfs/dbraw/zinc/77/23/49/667772349.db2.gz VTSNSRCGYHXFAT-MRVWCRGKSA-N 2 0 353.492 0.646 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000923287685 667822588 /nfs/dbraw/zinc/82/25/88/667822588.db2.gz VTFDWQICQXWVOL-KRWDZBQOSA-N 2 0 350.463 0.222 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380565 667829316 /nfs/dbraw/zinc/82/93/16/667829316.db2.gz OXMHDHFMLIEOAJ-ZACQAIPSSA-N 2 0 354.495 0.240 20 0 FCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378448 667829327 /nfs/dbraw/zinc/82/93/27/667829327.db2.gz CKIXSMWVFRDNOY-YESZJQIVSA-N 2 0 354.495 0.383 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000946909227 667841620 /nfs/dbraw/zinc/84/16/20/667841620.db2.gz LFDJTMPDQJDNBI-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946909155 667841983 /nfs/dbraw/zinc/84/19/83/667841983.db2.gz ICTRIKGKIGIGLA-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760477834 667850643 /nfs/dbraw/zinc/85/06/43/667850643.db2.gz OYRDEICOTJCHIG-UHFFFAOYSA-N 2 0 369.579 0.593 20 0 FCADRP C[C@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763298270 667948991 /nfs/dbraw/zinc/94/89/91/667948991.db2.gz CEQSDDAVJBPIEC-DOTOQJQBSA-N 2 0 353.580 0.913 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC000772817801 668329662 /nfs/dbraw/zinc/32/96/62/668329662.db2.gz KVVVNCLAFDQCAF-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000778951953 668400842 /nfs/dbraw/zinc/40/08/42/668400842.db2.gz XVTUGERNCXWTDD-UHFFFAOYSA-N 2 0 354.520 0.446 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000793738757 668947190 /nfs/dbraw/zinc/94/71/90/668947190.db2.gz UKWBSDDAMXVJKC-MRXNPFEDSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819063294 668975855 /nfs/dbraw/zinc/97/58/55/668975855.db2.gz ZDWQUWDEJWDCEX-QGZVFWFLSA-N 2 0 369.531 0.739 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000829221983 669691395 /nfs/dbraw/zinc/69/13/95/669691395.db2.gz RJVJGKKAGQWSHK-UHFFFAOYSA-N 2 0 353.507 0.916 20 0 FCADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817962259 670051322 /nfs/dbraw/zinc/05/13/22/670051322.db2.gz KDRRKCKGJDVCCO-NWDGAFQWSA-N 2 0 363.505 0.658 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000842050242 670630375 /nfs/dbraw/zinc/63/03/75/670630375.db2.gz RTKTZTHMPYGMJH-KXBFYZLASA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2noc(CCC[NH3+])n2)cc1 ZINC000843205067 670780445 /nfs/dbraw/zinc/78/04/45/670780445.db2.gz ULEYSZPHEDKRJV-UHFFFAOYSA-N 2 0 367.475 0.858 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968011454 675178038 /nfs/dbraw/zinc/17/80/38/675178038.db2.gz CDMCAZHJAHWWRV-KBRIMQKVSA-N 2 0 350.507 0.726 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849100716 671317676 /nfs/dbraw/zinc/31/76/76/671317676.db2.gz VJAHWRMSLDXJCH-AWEZNQCLSA-N 2 0 354.499 0.309 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000852745921 671523270 /nfs/dbraw/zinc/52/32/70/671523270.db2.gz APQDXRSXTVKVPX-HNNXBMFYSA-N 2 0 352.479 0.751 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925491300 671718911 /nfs/dbraw/zinc/71/89/11/671718911.db2.gz QMFBRPJITGJUGT-KRWDZBQOSA-N 2 0 354.520 0.633 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000903550622 675943126 /nfs/dbraw/zinc/94/31/26/675943126.db2.gz SNEBEDVZLMDDIO-IAGOWNOFSA-N 2 0 352.504 0.168 20 0 FCADRP CCCS(=O)(=O)NC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723032 675964148 /nfs/dbraw/zinc/96/41/48/675964148.db2.gz SFZQMRXUEYODEF-INIZCTEOSA-N 2 0 359.536 0.939 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000861742277 671989639 /nfs/dbraw/zinc/98/96/39/671989639.db2.gz FXDJBDNLDWSRDD-ZDUSSCGKSA-N 2 0 352.504 0.882 20 0 FCADRP CCN(CC)C(=O)CN1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733099 675965024 /nfs/dbraw/zinc/96/50/24/675965024.db2.gz JQLIACUGTIALHE-PKOBYXMFSA-N 2 0 352.523 0.631 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736240 675965188 /nfs/dbraw/zinc/96/51/88/675965188.db2.gz ITCJNRRIBSRVJW-QGZVFWFLSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903817999 675975991 /nfs/dbraw/zinc/97/59/91/675975991.db2.gz SIUBFGJKBDXAME-UHFFFAOYSA-N 2 0 352.523 0.820 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000863752314 672149739 /nfs/dbraw/zinc/14/97/39/672149739.db2.gz CVTMBDXYKAOQQV-LBPRGKRZSA-N 2 0 356.417 0.661 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863834852 672159129 /nfs/dbraw/zinc/15/91/29/672159129.db2.gz NORPVMPZMGMWBU-UONOGXRCSA-N 2 0 358.483 0.014 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\CN1CCOCC1 ZINC000865088938 672225368 /nfs/dbraw/zinc/22/53/68/672225368.db2.gz KLPGXEGWKSRHNJ-XOWYPZSQSA-N 2 0 352.523 0.749 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866387970 672270378 /nfs/dbraw/zinc/27/03/78/672270378.db2.gz YPOIMRPULDJPDM-UHFFFAOYSA-N 2 0 368.569 0.698 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866808786 672309660 /nfs/dbraw/zinc/30/96/60/672309660.db2.gz AUBGEYIIJBQFAN-MUJYYYPQSA-N 2 0 369.535 0.870 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000868232711 672389953 /nfs/dbraw/zinc/38/99/53/672389953.db2.gz RZRYPUHQLHDAGG-GOEBONIOSA-N 2 0 372.535 0.231 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC000868285350 672392131 /nfs/dbraw/zinc/39/21/31/672392131.db2.gz IAFVUQOZTJSEAC-INIZCTEOSA-N 2 0 353.511 0.129 20 0 FCADRP CCn1[nH]c(C)nc1=NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000888529046 672425652 /nfs/dbraw/zinc/42/56/52/672425652.db2.gz NWFNVHVPLGRMSD-OAHLLOKOSA-N 2 0 351.499 0.908 20 0 FCADRP O=S(=O)(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000923607221 672425867 /nfs/dbraw/zinc/42/58/67/672425867.db2.gz YPKZTUFPMSBNBI-QGZVFWFLSA-N 2 0 352.504 0.291 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923613592 672443436 /nfs/dbraw/zinc/44/34/36/672443436.db2.gz YIVAKUCNMFABEX-OAHLLOKOSA-N 2 0 352.504 0.952 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622889 672510583 /nfs/dbraw/zinc/51/05/83/672510583.db2.gz TXMFHZRBJAMDFJ-GOSISDBHSA-N 2 0 366.531 0.980 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC[NH+](C)C)CC2)O1 ZINC001055633144 676028891 /nfs/dbraw/zinc/02/88/91/676028891.db2.gz CDSSCVBMXHOZGU-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000872141678 672594095 /nfs/dbraw/zinc/59/40/95/672594095.db2.gz NQLBAJYJPQRGCV-OAHLLOKOSA-N 2 0 359.536 0.734 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056426731 676045792 /nfs/dbraw/zinc/04/57/92/676045792.db2.gz LGVIZALQEWQPKP-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001001421701 676071609 /nfs/dbraw/zinc/07/16/09/676071609.db2.gz GGAOPVZOLOADFI-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502829 672960819 /nfs/dbraw/zinc/96/08/19/672960819.db2.gz OVLFRJBMTNJYCL-UHFFFAOYSA-N 2 0 351.520 0.944 20 0 FCADRP COC[C@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C[NH2+]CCO1 ZINC000876709571 672973592 /nfs/dbraw/zinc/97/35/92/672973592.db2.gz VCFKRYRBKSKSFB-AEFFLSMTSA-N 2 0 351.447 0.419 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000876779315 672979688 /nfs/dbraw/zinc/97/96/88/672979688.db2.gz APVQDVLPCLKOTR-UHFFFAOYSA-N 2 0 351.520 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(=O)NC)CC3)CC[N@@H+]1C ZINC001050524042 676085550 /nfs/dbraw/zinc/08/55/50/676085550.db2.gz RMWPHKXXGBRQEV-HRCADAONSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402680 673013005 /nfs/dbraw/zinc/01/30/05/673013005.db2.gz HWJONLHLLJAFRR-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402675 673013059 /nfs/dbraw/zinc/01/30/59/673013059.db2.gz HWJONLHLLJAFRR-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416440 673374542 /nfs/dbraw/zinc/37/45/42/673374542.db2.gz VBIRJHVYRCIUIH-IAGOWNOFSA-N 2 0 351.491 0.858 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436597 673375574 /nfs/dbraw/zinc/37/55/74/673375574.db2.gz XCMQAIWEUPHEGV-DLBZAZTESA-N 2 0 354.495 0.650 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000883473938 673378074 /nfs/dbraw/zinc/37/80/74/673378074.db2.gz UNSFXSLBUQLXMU-OAHLLOKOSA-N 2 0 357.524 0.824 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884289689 673444256 /nfs/dbraw/zinc/44/42/56/673444256.db2.gz HOYCBLSALLWKSQ-CABCVRRESA-N 2 0 367.291 0.955 20 0 FCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000884287619 673444408 /nfs/dbraw/zinc/44/44/08/673444408.db2.gz HNNNSQFSHNVZOL-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884486253 673456574 /nfs/dbraw/zinc/45/65/74/673456574.db2.gz RNIQBWKUMSGOBI-UHFFFAOYSA-N 2 0 350.463 0.487 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884491225 673456851 /nfs/dbraw/zinc/45/68/51/673456851.db2.gz PUXLJRUJHSFXPU-RVMXOQNASA-N 2 0 364.412 0.571 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884491024 673456983 /nfs/dbraw/zinc/45/69/83/673456983.db2.gz LPGHRHUVKFXFJI-NEPJUHHUSA-N 2 0 365.503 0.476 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884576177 673463181 /nfs/dbraw/zinc/46/31/81/673463181.db2.gz BKBHGEZIMFDPQI-VQIMIIECSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884578022 673463505 /nfs/dbraw/zinc/46/35/05/673463505.db2.gz QZEYSAWPTLEYNW-LBPRGKRZSA-N 2 0 365.503 0.477 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000884604224 673465429 /nfs/dbraw/zinc/46/54/29/673465429.db2.gz BVMYNHDZXBBLLF-IYXRBSQSSA-N 2 0 358.433 0.481 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884616924 673466326 /nfs/dbraw/zinc/46/63/26/673466326.db2.gz FENKXIMUXJPGQV-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000884631690 673468137 /nfs/dbraw/zinc/46/81/37/673468137.db2.gz SHOLXHCVPSPBCL-GFCCVEGCSA-N 2 0 363.487 0.087 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000884632754 673468185 /nfs/dbraw/zinc/46/81/85/673468185.db2.gz BRBVJYQGNQUNKV-HUUCEWRRSA-N 2 0 350.507 0.953 20 0 FCADRP CCN(C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[NH2+]C1 ZINC000884639343 673468661 /nfs/dbraw/zinc/46/86/61/673468661.db2.gz VVKCUFGTZYHONX-HNNXBMFYSA-N 2 0 368.547 0.675 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884659490 673470413 /nfs/dbraw/zinc/47/04/13/673470413.db2.gz UEIZWMXQSZPKKX-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664741 673470664 /nfs/dbraw/zinc/47/06/64/673470664.db2.gz TZQJUCIRXDMLRK-QKPAOTATSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000884661254 673470698 /nfs/dbraw/zinc/47/06/98/673470698.db2.gz NUBLPWKHOPNPEY-UKRRQHHQSA-N 2 0 350.438 0.427 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664145 673470719 /nfs/dbraw/zinc/47/07/19/673470719.db2.gz DTMWVWBOIIYRPX-CHWSQXEVSA-N 2 0 360.449 0.584 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664146 673470745 /nfs/dbraw/zinc/47/07/45/673470745.db2.gz DTMWVWBOIIYRPX-OLZOCXBDSA-N 2 0 360.449 0.584 20 0 FCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884716882 673476100 /nfs/dbraw/zinc/47/61/00/673476100.db2.gz LNLVJGNMMFINIO-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884726040 673477832 /nfs/dbraw/zinc/47/78/32/673477832.db2.gz FIHVIMUWXWNGQP-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884725923 673477977 /nfs/dbraw/zinc/47/79/77/673477977.db2.gz CJAWRUDHMRLALN-KYAWNZSKSA-N 2 0 350.507 0.870 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000884774738 673480829 /nfs/dbraw/zinc/48/08/29/673480829.db2.gz QNLAILFBSLQUTH-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884786594 673482280 /nfs/dbraw/zinc/48/22/80/673482280.db2.gz RXAZOCGCNNHWBW-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884786593 673482339 /nfs/dbraw/zinc/48/23/39/673482339.db2.gz RXAZOCGCNNHWBW-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000884796279 673482683 /nfs/dbraw/zinc/48/26/83/673482683.db2.gz GEUDRHMIXREDFE-CZIWCDLHSA-N 2 0 350.507 0.858 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884807531 673483224 /nfs/dbraw/zinc/48/32/24/673483224.db2.gz BYCLDYATDWHIQI-UHFFFAOYSA-N 2 0 352.479 0.087 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000884910698 673490548 /nfs/dbraw/zinc/49/05/48/673490548.db2.gz BSUVROMXVFDFDF-VGWMRTNUSA-N 2 0 354.495 0.236 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884917789 673490908 /nfs/dbraw/zinc/49/09/08/673490908.db2.gz NQDMDBQZSVGAHH-SHTZXODSSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000885281036 673511679 /nfs/dbraw/zinc/51/16/79/673511679.db2.gz VUBBUGQKPJWYNE-CYBMUJFWSA-N 2 0 358.433 0.434 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285568 673512352 /nfs/dbraw/zinc/51/23/52/673512352.db2.gz QXHNSZCTSZMVRF-UONOGXRCSA-N 2 0 360.449 0.442 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885292820 673513304 /nfs/dbraw/zinc/51/33/04/673513304.db2.gz YZWXOLXCVSAZSS-ZDUSSCGKSA-N 2 0 360.449 0.680 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887078843 673620555 /nfs/dbraw/zinc/62/05/55/673620555.db2.gz FAVQAWBJHWNUMO-QFBILLFUSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000888042580 673665621 /nfs/dbraw/zinc/66/56/21/673665621.db2.gz WSEQHRVJPJANBD-SYMSYNOKSA-N 2 0 356.511 0.159 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890132870 673704887 /nfs/dbraw/zinc/70/48/87/673704887.db2.gz GASZGKVOILHWKV-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP COCCC[NH+]1CCC(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924581957 673758898 /nfs/dbraw/zinc/75/88/98/673758898.db2.gz OCPBQEBQHDSPJX-MRXNPFEDSA-N 2 0 352.479 0.894 20 0 FCADRP COC1CC[NH+](C2(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)CCCC2)CC1 ZINC000924610141 673759498 /nfs/dbraw/zinc/75/94/98/673759498.db2.gz YKJGMIKRKYWGNT-HNNXBMFYSA-N 2 0 352.479 0.892 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924672470 673760836 /nfs/dbraw/zinc/76/08/36/673760836.db2.gz SZRXHKHNICFKSX-CVEARBPZSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741185 673762313 /nfs/dbraw/zinc/76/23/13/673762313.db2.gz GJABVUTYYNQTNS-CVEARBPZSA-N 2 0 352.479 0.894 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@H]1CCOC1 ZINC000927520324 673865321 /nfs/dbraw/zinc/86/53/21/673865321.db2.gz WNWXQPFHEDLJFT-SJORKVTESA-N 2 0 356.511 0.849 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642369 673874941 /nfs/dbraw/zinc/87/49/41/673874941.db2.gz CEXDLJZQTQHJEE-INIZCTEOSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC001008168784 675308998 /nfs/dbraw/zinc/30/89/98/675308998.db2.gz QSOXWIGEULYDHZ-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020171286 675436491 /nfs/dbraw/zinc/43/64/91/675436491.db2.gz VKHRDKQJIZLEMQ-YIDVYQOGSA-N 2 0 357.520 0.388 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001020174652 675436592 /nfs/dbraw/zinc/43/65/92/675436592.db2.gz KVTVXNNEDCNGFW-LUKYLMHMSA-N 2 0 371.547 0.778 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C)CC[N@@H+]1C ZINC001020300555 675440285 /nfs/dbraw/zinc/44/02/85/675440285.db2.gz QHBYFNUHTAJGQY-ALYAQQCSSA-N 2 0 350.507 0.917 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132191 675447707 /nfs/dbraw/zinc/44/77/07/675447707.db2.gz DRWYZHZBFQMAMK-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707524 675469112 /nfs/dbraw/zinc/46/91/12/675469112.db2.gz DMMXMVMYNAKBJA-BZUAXINKSA-N 2 0 350.507 0.905 20 0 FCADRP CNC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040708676 675469188 /nfs/dbraw/zinc/46/91/88/675469188.db2.gz XRVLVVBODZNLMT-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444656 675653864 /nfs/dbraw/zinc/65/38/64/675653864.db2.gz FKRCXUZWCVZNEC-IIAWOOMASA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000900007745 675658209 /nfs/dbraw/zinc/65/82/09/675658209.db2.gz SBXNSGGAIRSCGL-UHFFFAOYSA-N 2 0 353.555 0.498 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000900443394 675682721 /nfs/dbraw/zinc/68/27/21/675682721.db2.gz WNLHZVOEALPXTJ-ZWKOTPCHSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001046329712 675708633 /nfs/dbraw/zinc/70/86/33/675708633.db2.gz QVKXKQRGIOLBSB-LBTNJELSSA-N 2 0 350.463 0.056 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900844998 675723399 /nfs/dbraw/zinc/72/33/99/675723399.db2.gz IZXUOCXLDYQTTQ-ZWKOTPCHSA-N 2 0 354.539 0.706 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000901057687 675747062 /nfs/dbraw/zinc/74/70/62/675747062.db2.gz MFLVASOHBSBNBZ-GOSISDBHSA-N 2 0 352.523 0.772 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1)C1CCC1 ZINC000969223239 1167822926 /nfs/dbraw/zinc/82/29/26/1167822926.db2.gz FFHPZNLLECBDRX-SJORKVTESA-N 2 0 371.441 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000988544548 1192273925 /nfs/dbraw/zinc/27/39/25/1192273925.db2.gz MXZYJTZUUHYFHL-KBAYOESNSA-N 2 0 364.534 0.975 20 0 FCADRP COc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)n1 ZINC001020603604 1168148526 /nfs/dbraw/zinc/14/85/26/1168148526.db2.gz IUJIPMYEXVMPOP-QHSBEEBCSA-N 2 0 356.430 0.759 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001020613152 1168160344 /nfs/dbraw/zinc/16/03/44/1168160344.db2.gz OJZCTNBMHRJLGP-MKXGPGLRSA-N 2 0 368.485 0.860 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104256995 1168816547 /nfs/dbraw/zinc/81/65/47/1168816547.db2.gz ZOKTWUDBHJVFBX-KFWWJZLASA-N 2 0 369.489 0.464 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)C1 ZINC001021490996 1169472983 /nfs/dbraw/zinc/47/29/83/1169472983.db2.gz VNGISEGYYLEUIE-OWCLPIDISA-N 2 0 359.474 0.743 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356190 1170005611 /nfs/dbraw/zinc/00/56/11/1170005611.db2.gz RLYKNFWJUDRQFA-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345154 1170123942 /nfs/dbraw/zinc/12/39/42/1170123942.db2.gz CSCQBCORQWWVMO-KURKYZTESA-N 2 0 367.534 0.944 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345157 1170124319 /nfs/dbraw/zinc/12/43/19/1170124319.db2.gz CSCQBCORQWWVMO-KZNAEPCWSA-N 2 0 367.534 0.944 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891397894 1170344878 /nfs/dbraw/zinc/34/48/78/1170344878.db2.gz XIVJCKNEALBQRE-JJXSEGSLSA-N 2 0 365.478 0.437 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)[C@@H]2C1 ZINC001021996477 1170369301 /nfs/dbraw/zinc/36/93/01/1170369301.db2.gz GZGIXQHMKQOLME-YESZJQIVSA-N 2 0 371.485 0.601 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC001022035387 1170443686 /nfs/dbraw/zinc/44/36/86/1170443686.db2.gz KWZOJZWJYLEKDO-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891443718 1170502037 /nfs/dbraw/zinc/50/20/37/1170502037.db2.gz DONLVZYYIYZBKI-IRXDYDNUSA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891443716 1170502940 /nfs/dbraw/zinc/50/29/40/1170502940.db2.gz DONLVZYYIYZBKI-DLBZAZTESA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891444151 1170507708 /nfs/dbraw/zinc/50/77/08/1170507708.db2.gz FFCAEWPJIXZSKK-VQIMIIECSA-N 2 0 358.490 0.917 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221078 1170587054 /nfs/dbraw/zinc/58/70/54/1170587054.db2.gz JMSWEZDMSWGXHR-HYVNUMGLSA-N 2 0 365.478 0.005 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104367527 1170660792 /nfs/dbraw/zinc/66/07/92/1170660792.db2.gz XGAQZYZXRQURQX-IXDOHACOSA-N 2 0 371.489 0.811 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022216957 1170765390 /nfs/dbraw/zinc/76/53/90/1170765390.db2.gz DABTVNGKUDNZHG-YESZJQIVSA-N 2 0 360.502 0.626 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCOCC1 ZINC000891745919 1170842537 /nfs/dbraw/zinc/84/25/37/1170842537.db2.gz NNMCHGOMFZYVAI-GOSISDBHSA-N 2 0 370.538 0.879 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087175358 1170872830 /nfs/dbraw/zinc/87/28/30/1170872830.db2.gz JNHICHSCQBMXKS-KBMXLJTQSA-N 2 0 364.490 0.493 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001691249096 1170885797 /nfs/dbraw/zinc/88/57/97/1170885797.db2.gz DMGXKHUCMYVVDB-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001691251410 1170890640 /nfs/dbraw/zinc/89/06/40/1170890640.db2.gz WUXMTXWLNNZYPL-MELADBBJSA-N 2 0 369.510 0.422 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000891829742 1170891057 /nfs/dbraw/zinc/89/10/57/1170891057.db2.gz HYWLJIVXUFUFFB-CALCHBBNSA-N 2 0 358.490 0.536 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000891831005 1170892943 /nfs/dbraw/zinc/89/29/43/1170892943.db2.gz YYJZUQJDLUPGBM-IAGOWNOFSA-N 2 0 358.490 0.679 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](OCC)C1 ZINC001691335325 1171133561 /nfs/dbraw/zinc/13/35/61/1171133561.db2.gz BCLOYKQBEHUYED-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691347550 1171163790 /nfs/dbraw/zinc/16/37/90/1171163790.db2.gz MXONXLPOIAYQJR-NJAFHUGGSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970224 1171355230 /nfs/dbraw/zinc/35/52/30/1171355230.db2.gz JEBMJWFCEGNBIZ-FUHWJXTLSA-N 2 0 373.501 0.486 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083236139 1171548665 /nfs/dbraw/zinc/54/86/65/1171548665.db2.gz MVEFDFMOJQHFRH-BPQIPLTHSA-N 2 0 367.490 0.045 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000988779255 1192472463 /nfs/dbraw/zinc/47/24/63/1192472463.db2.gz DIQHKKHWBGOYAX-JLSDUUJJSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC001022722307 1171814894 /nfs/dbraw/zinc/81/48/94/1171814894.db2.gz ZOGBTRDTLGFXIS-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022724075 1171818500 /nfs/dbraw/zinc/81/85/00/1171818500.db2.gz QLPUWVFTJGWBFT-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724670 1171821187 /nfs/dbraw/zinc/82/11/87/1171821187.db2.gz BFGGRHDSLMBCGH-GVDBMIGSSA-N 2 0 362.518 0.729 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000892267141 1171878904 /nfs/dbraw/zinc/87/89/04/1171878904.db2.gz SFVBOMNXFLXNPU-OAHLLOKOSA-N 2 0 363.506 0.644 20 0 FCADRP CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433773 1172143795 /nfs/dbraw/zinc/14/37/95/1172143795.db2.gz WXTGCOSWTSAZGC-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP COCCOCN1CCC2(CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C2)C1 ZINC001272134349 1192571227 /nfs/dbraw/zinc/57/12/27/1192571227.db2.gz KPDBQJWJTGAYFD-UHFFFAOYSA-N 2 0 361.446 0.760 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000897669442 1192840362 /nfs/dbraw/zinc/84/03/62/1192840362.db2.gz UQTBWLGQSOYNQG-NVXWUHKLSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@@H+]1C ZINC000897717573 1192844074 /nfs/dbraw/zinc/84/40/74/1192844074.db2.gz UFCOFPZSGSYMSV-OWCLPIDISA-N 2 0 359.474 0.718 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC000892327949 1178877232 /nfs/dbraw/zinc/87/72/32/1178877232.db2.gz PFLVOYWXXCKFGU-ZWKOTPCHSA-N 2 0 354.458 0.702 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892329812 1178888390 /nfs/dbraw/zinc/88/83/90/1178888390.db2.gz QVJNQDOQBFWRTN-QGZVFWFLSA-N 2 0 373.501 0.861 20 0 FCADRP CN1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](C)CC1 ZINC000888990892 1179218951 /nfs/dbraw/zinc/21/89/51/1179218951.db2.gz HUHGSQQDLBBWOP-UHFFFAOYSA-N 2 0 373.545 0.905 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083259500 1179316085 /nfs/dbraw/zinc/31/60/85/1179316085.db2.gz DXGZNDMOHIRHFV-RBUKOAKNSA-N 2 0 370.453 0.865 20 0 FCADRP CCn1nncc1CN1CCC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023451571 1179758041 /nfs/dbraw/zinc/75/80/41/1179758041.db2.gz QNTNYOJFTQWYBE-HLLBOEOZSA-N 2 0 364.494 0.345 20 0 FCADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000892369727 1179872188 /nfs/dbraw/zinc/87/21/88/1179872188.db2.gz JHJKEYXDPHMAHU-DLBZAZTESA-N 2 0 358.490 0.679 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CCC1 ZINC000972637736 1180088635 /nfs/dbraw/zinc/08/86/35/1180088635.db2.gz AIKDMXAZFGYBFA-IAGOWNOFSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1 ZINC000972639273 1180095665 /nfs/dbraw/zinc/09/56/65/1180095665.db2.gz YIZLGDBKTWCQFX-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CC1 ZINC000972644728 1180166015 /nfs/dbraw/zinc/16/60/15/1180166015.db2.gz QTPNIOYZRVOTNI-ZACQAIPSSA-N 2 0 360.502 0.482 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[NH2+]C1 ZINC000892384812 1180181276 /nfs/dbraw/zinc/18/12/76/1180181276.db2.gz PMUVUXZYGFEAKP-CVEARBPZSA-N 2 0 365.522 0.618 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN2Cc2ccccn2)C1 ZINC000081326679 1180751497 /nfs/dbraw/zinc/75/14/97/1180751497.db2.gz JNOCYHJHIGLVSV-WMZOPIPTSA-N 2 0 373.501 0.750 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2(C[NH+](C)C)CC2)C3)n1 ZINC001112518403 1180836611 /nfs/dbraw/zinc/83/66/11/1180836611.db2.gz HMVANDHRADFYKY-KXBFYZLASA-N 2 0 360.506 0.875 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024120444 1180854125 /nfs/dbraw/zinc/85/41/25/1180854125.db2.gz CWSRECHDYCOJGU-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112522303 1181270627 /nfs/dbraw/zinc/27/06/27/1181270627.db2.gz PROHSOZZRGYSKF-ZVZYQTTQSA-N 2 0 365.453 0.645 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892486583 1181327889 /nfs/dbraw/zinc/32/78/89/1181327889.db2.gz QPUXRNKDCDKSNT-XQLPTFJDSA-N 2 0 365.478 0.341 20 0 FCADRP C[N@@H+]1CCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC1(C)C ZINC000892519003 1181709351 /nfs/dbraw/zinc/70/93/51/1181709351.db2.gz JLDWKRQYOFUJKJ-UHFFFAOYSA-N 2 0 357.462 0.962 20 0 FCADRP Cc1nccn1CC(=O)N1CCO[C@@H]2CN(CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083275490 1181850552 /nfs/dbraw/zinc/85/05/52/1181850552.db2.gz HBAFCCLTLLMVMS-RRFJBIMHSA-N 2 0 370.400 0.527 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545363 1181852087 /nfs/dbraw/zinc/85/20/87/1181852087.db2.gz VLUVTUADILFCBJ-IEBWSBKVSA-N 3 0 372.517 0.939 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]21 ZINC001083275582 1181852605 /nfs/dbraw/zinc/85/26/05/1181852605.db2.gz MFPJBRMMFOYSDM-GBESFXJTSA-N 2 0 365.518 0.935 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1nnnn1C ZINC001104623890 1182302546 /nfs/dbraw/zinc/30/25/46/1182302546.db2.gz JCQNHGOSEWOZDA-IIAWOOMASA-N 2 0 363.510 0.687 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001104680922 1182362191 /nfs/dbraw/zinc/36/21/91/1182362191.db2.gz ZHHQDHOXJYWPJX-LZLYRXPVSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104699114 1182379337 /nfs/dbraw/zinc/37/93/37/1182379337.db2.gz DELPQPYNQMNBNF-KLHDSHLOSA-N 2 0 371.489 0.927 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H]1CN1CCOCC1 ZINC000892776331 1182496968 /nfs/dbraw/zinc/49/69/68/1182496968.db2.gz GRWCEORKNIWESL-IAGOWNOFSA-N 2 0 366.506 0.651 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083283908 1182510730 /nfs/dbraw/zinc/51/07/30/1182510730.db2.gz AYRLAGVPNGYXBO-YESZJQIVSA-N 2 0 364.490 0.053 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001025684094 1182682437 /nfs/dbraw/zinc/68/24/37/1182682437.db2.gz CGJRKRXSEUBFOE-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001025793961 1182845488 /nfs/dbraw/zinc/84/54/88/1182845488.db2.gz FDOWQHPGBSMNEH-CETDPJCDSA-N 2 0 357.498 0.977 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104846703 1182953305 /nfs/dbraw/zinc/95/33/05/1182953305.db2.gz GAWYPGJSYRSXOC-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104908111 1182990762 /nfs/dbraw/zinc/99/07/62/1182990762.db2.gz JTWORZFBOQNEGS-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104908394 1182991322 /nfs/dbraw/zinc/99/13/22/1182991322.db2.gz VHYHWFAHQXCFMR-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008272 1183066724 /nfs/dbraw/zinc/06/67/24/1183066724.db2.gz WLSNJEFZPGIWND-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001105010675 1183067474 /nfs/dbraw/zinc/06/74/74/1183067474.db2.gz VNXURULIRXIEBF-ZTFGCOKTSA-N 2 0 362.522 0.921 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014646 1183069086 /nfs/dbraw/zinc/06/90/86/1183069086.db2.gz VEGNASVKFIDCDR-SJLPKXTDSA-N 2 0 368.522 0.309 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)C1 ZINC001105042171 1183089380 /nfs/dbraw/zinc/08/93/80/1183089380.db2.gz QSNIGRCBSKHVPU-KZNAEPCWSA-N 2 0 371.522 0.444 20 0 FCADRP CCc1nnc(CNC2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)o1 ZINC001026514596 1183145400 /nfs/dbraw/zinc/14/54/00/1183145400.db2.gz KQYNENGRNHQYRY-XSCHDIRWSA-N 2 0 365.478 0.868 20 0 FCADRP C[C@@H](O)CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244265 1183154427 /nfs/dbraw/zinc/15/44/27/1183154427.db2.gz UFMYXLHIFJGFBG-CKEIUWERSA-N 2 0 364.494 0.252 20 0 FCADRP CC[C@H](C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1)OC ZINC001105244414 1183154433 /nfs/dbraw/zinc/15/44/33/1183154433.db2.gz WBFWYKIDHYNFLE-KBRIMQKVSA-N 2 0 364.494 0.516 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@@H+]1C ZINC000974590013 1183356515 /nfs/dbraw/zinc/35/65/15/1183356515.db2.gz GAAVICMRCCCGNQ-QBPKDAKJSA-N 2 0 360.502 0.482 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974582764 1183362695 /nfs/dbraw/zinc/36/26/95/1183362695.db2.gz DRNNROIXFMIWQU-BRWVUGGUSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585114 1183365327 /nfs/dbraw/zinc/36/53/27/1183365327.db2.gz URRKVXUYQJHKDM-GVDBMIGSSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[N@H+](CCCO)CC2(C)C)CC1 ZINC000974596116 1183373918 /nfs/dbraw/zinc/37/39/18/1183373918.db2.gz ODRFVHPYLKOEBC-SQNIBIBYSA-N 2 0 367.534 0.942 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)C1 ZINC000975784132 1185776597 /nfs/dbraw/zinc/77/65/97/1185776597.db2.gz PKZBUOUSWNZSDM-JQHSSLGASA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)CC1 ZINC000975784290 1185780680 /nfs/dbraw/zinc/78/06/80/1185780680.db2.gz UBSBQXNUNWTCDE-WMZOPIPTSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000978878304 1186023951 /nfs/dbraw/zinc/02/39/51/1186023951.db2.gz QVGVMYJERZUGDN-VVLHAWIVSA-N 2 0 362.518 0.824 20 0 FCADRP CCn1nnc(C)c1CN1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027966426 1186240995 /nfs/dbraw/zinc/24/09/95/1186240995.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 0 364.494 0.406 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC000981776055 1186516767 /nfs/dbraw/zinc/51/67/67/1186516767.db2.gz DZTDNHIDESDPNZ-KFWWJZLASA-N 2 0 362.474 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCCNC2=O)C3)CC[N@@H+]1C ZINC000981778291 1186519608 /nfs/dbraw/zinc/51/96/08/1186519608.db2.gz FOSMWMZLZMNALA-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981769745 1186519891 /nfs/dbraw/zinc/51/98/91/1186519891.db2.gz IBEUFKUBEXXPFF-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784625 1186521005 /nfs/dbraw/zinc/52/10/05/1186521005.db2.gz RCXASCZSBPRMIE-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP CCOC(=O)C(C(=O)OCC)c1ccnc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167878031 1186638246 /nfs/dbraw/zinc/63/82/46/1186638246.db2.gz MWDZWRUKESMMLA-UHFFFAOYSA-N 2 0 366.422 0.362 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001745733046 1187493906 /nfs/dbraw/zinc/49/39/06/1187493906.db2.gz JBJJJBNSXLUJAE-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211729578 1187511818 /nfs/dbraw/zinc/51/18/18/1187511818.db2.gz CZMGDRHDYZPZMV-RBUKOAKNSA-N 2 0 363.502 0.920 20 0 FCADRP CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643759 1187566505 /nfs/dbraw/zinc/56/65/05/1187566505.db2.gz KFFAKTTUPZDZOL-QXAKKESOSA-N 2 0 359.470 0.929 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000420159476 1187799180 /nfs/dbraw/zinc/79/91/80/1187799180.db2.gz CSKJUAJHDRYZQL-QGZVFWFLSA-N 2 0 366.506 0.372 20 0 FCADRP Cc1cc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)CN(C)C(N)=[NH2+])C3)n(C)n1 ZINC001269992706 1187962329 /nfs/dbraw/zinc/96/23/29/1187962329.db2.gz VNTVVQUFKHQEOE-SFHVURJKSA-N 2 0 361.494 0.368 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)C[NH+]2CCCC2)CC3)CC1 ZINC001270096147 1188005604 /nfs/dbraw/zinc/00/56/04/1188005604.db2.gz RJBDNAJTSPUJAV-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332498 1188100219 /nfs/dbraw/zinc/10/02/19/1188100219.db2.gz KJIXZUCRVARAIG-BEFAXECRSA-N 2 0 359.474 0.713 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332604 1188101193 /nfs/dbraw/zinc/10/11/93/1188101193.db2.gz KMGKVLBJBZNPNV-DNVCBOLYSA-N 2 0 364.490 0.258 20 0 FCADRP C[C@H](C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)[NH+]1CCCC1 ZINC001270491794 1188172106 /nfs/dbraw/zinc/17/21/06/1188172106.db2.gz YHYCXQFAISALHV-VQIMIIECSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CCC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001745870361 1188420199 /nfs/dbraw/zinc/42/01/99/1188420199.db2.gz WAAPTLIWWHSVFH-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CCc1cnn(CC)c1 ZINC001087529645 1189383203 /nfs/dbraw/zinc/38/32/03/1189383203.db2.gz OMYYDYDOGULNFX-KSZLIROESA-N 2 0 363.506 0.745 20 0 FCADRP Cc1nccn1CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984234886 1189662258 /nfs/dbraw/zinc/66/22/58/1189662258.db2.gz SIJLXEQYRMYFQU-DJIMGWMZSA-N 2 0 361.490 0.981 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087658930 1189710214 /nfs/dbraw/zinc/71/02/14/1189710214.db2.gz DAALNSSKKKGGIP-LSDHHAIUSA-N 2 0 361.446 0.310 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001087686406 1189747309 /nfs/dbraw/zinc/74/73/09/1189747309.db2.gz BNVPIIONRVKHQP-MWDXBVQZSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000550518753 1189810476 /nfs/dbraw/zinc/81/04/76/1189810476.db2.gz IMCRDFZELHDHNV-QGZVFWFLSA-N 2 0 371.485 0.515 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994884 1190148096 /nfs/dbraw/zinc/14/80/96/1190148096.db2.gz IOPDOBSGZDTVHQ-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994793 1190148679 /nfs/dbraw/zinc/14/86/79/1190148679.db2.gz CISSJCAJQOCIKN-OAGGEKHMSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000984895168 1190224756 /nfs/dbraw/zinc/22/47/56/1190224756.db2.gz JRGNFKMCTUSOQQ-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088028055 1190267784 /nfs/dbraw/zinc/26/77/84/1190267784.db2.gz SEKRYRWSBPUOCL-HLLBOEOZSA-N 2 0 353.426 0.617 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@@H]3C2)C1=O ZINC001088028075 1190268353 /nfs/dbraw/zinc/26/83/53/1190268353.db2.gz TXTNBJBJKKYEIY-RYRKJORJSA-N 2 0 367.453 0.959 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077104 1190411587 /nfs/dbraw/zinc/41/15/87/1190411587.db2.gz KCYZPPKLHPNWSQ-SQNIBIBYSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)CC1 ZINC001088090836 1190543977 /nfs/dbraw/zinc/54/39/77/1190543977.db2.gz IHQHIHBZEKADKV-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088106439 1190588140 /nfs/dbraw/zinc/58/81/40/1190588140.db2.gz ZVGSWQGVYBWUGU-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106665 1190593523 /nfs/dbraw/zinc/59/35/23/1190593523.db2.gz LPAAGTPGGOQEHV-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000985140181 1190627811 /nfs/dbraw/zinc/62/78/11/1190627811.db2.gz OZUMVUYDKXCTSY-XHSDSOJGSA-N 2 0 363.462 0.018 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000985163197 1190659551 /nfs/dbraw/zinc/65/95/51/1190659551.db2.gz BQXVTJSXSCWHRI-WCXIOVBPSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150694 1190674110 /nfs/dbraw/zinc/67/41/10/1190674110.db2.gz RKNFNANJYOVFMH-KSZLIROESA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854955 1190732032 /nfs/dbraw/zinc/73/20/32/1190732032.db2.gz XQGYIEOBPSXJTI-MDMSPXHWSA-N 2 0 364.534 0.878 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000985825177 1190825351 /nfs/dbraw/zinc/82/53/51/1190825351.db2.gz XHVGGIDLDLZLLO-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986138927 1190903980 /nfs/dbraw/zinc/90/39/80/1190903980.db2.gz ZYEYUFWMHKMEHA-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001029966015 1191039200 /nfs/dbraw/zinc/03/92/00/1191039200.db2.gz HXBCNRQBFYYCPY-UKRRQHHQSA-N 2 0 364.494 0.119 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001059730625 1191051085 /nfs/dbraw/zinc/05/10/85/1191051085.db2.gz LMUHOJGEXLPBRD-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986681993 1191075155 /nfs/dbraw/zinc/07/51/55/1191075155.db2.gz WKWCJDYGJPZJRT-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000988149431 1191153694 /nfs/dbraw/zinc/15/36/94/1191153694.db2.gz XCRSVPFQBGRLNG-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCCN1CCCC1=O ZINC001088568702 1191206564 /nfs/dbraw/zinc/20/65/64/1191206564.db2.gz RGTALIHWYCRYRU-NJAFHUGGSA-N 2 0 362.518 0.920 20 0 FCADRP COC(=O)[C@H](Cc1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001218387669 1224157396 /nfs/dbraw/zinc/15/73/96/1224157396.db2.gz QATLOMYLIAHOGV-SJWGOKEGSA-N 2 0 363.458 0.609 20 0 FCADRP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CC1 ZINC001168311989 1193740176 /nfs/dbraw/zinc/74/01/76/1193740176.db2.gz GTMZPJANXFYEKL-DQPZFDDXSA-N 2 0 362.474 0.367 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001218515514 1224166389 /nfs/dbraw/zinc/16/63/89/1224166389.db2.gz HLYCDMDPGDXTEL-GUYCJALGSA-N 2 0 362.478 0.262 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088702132 1193800245 /nfs/dbraw/zinc/80/02/45/1193800245.db2.gz FAFCGQWMJBQYPX-ZACQAIPSSA-N 2 0 361.490 0.451 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550910791 1193819297 /nfs/dbraw/zinc/81/92/97/1193819297.db2.gz IOIAMMJQDSLAIF-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550946065 1193821850 /nfs/dbraw/zinc/82/18/50/1193821850.db2.gz CHNBWQRHSJFRQQ-SJORKVTESA-N 2 0 367.538 0.118 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105666397 1193891041 /nfs/dbraw/zinc/89/10/41/1193891041.db2.gz FFGRNAAORMOULG-VIPLHTEESA-N 2 0 365.518 0.695 20 0 FCADRP O=C(Nc1cc(-c2ccccc2)nn1CCO)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218597170 1224179013 /nfs/dbraw/zinc/17/90/13/1224179013.db2.gz XIOWWRIMTJULFT-DNVCBOLYSA-N 2 0 355.442 0.680 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000552687585 1193947063 /nfs/dbraw/zinc/94/70/63/1193947063.db2.gz OTGFCPVPTKYKBT-KRWDZBQOSA-N 3 0 369.554 0.175 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(-c2ccccc2)nn1CCO ZINC001218596738 1224179315 /nfs/dbraw/zinc/17/93/15/1224179315.db2.gz MADZOCZCHNNAOU-INIZCTEOSA-N 2 0 372.473 0.231 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(OCc2cccnc2)n[nH]1 ZINC001218612122 1224182054 /nfs/dbraw/zinc/18/20/54/1224182054.db2.gz MVSKQOYQVBTVIJ-AWEZNQCLSA-N 2 0 359.434 0.073 20 0 FCADRP COc1nccc(N)c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218634447 1224186975 /nfs/dbraw/zinc/18/69/75/1224186975.db2.gz UHGWLAQLBWKPHC-STQMWFEESA-N 2 0 364.450 0.058 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000842220734 1194105456 /nfs/dbraw/zinc/10/54/56/1194105456.db2.gz HMHTZDBUCWRYTE-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000842267281 1194143455 /nfs/dbraw/zinc/14/34/55/1194143455.db2.gz WFNJSWSRPCUFIM-WMZOPIPTSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696295 1224197907 /nfs/dbraw/zinc/19/79/07/1224197907.db2.gz RDEVYUYSYRPESM-WFASDCNBSA-N 2 0 360.462 0.087 20 0 FCADRP Nc1cccnc1N(C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1)C1CC[NH2+]CC1 ZINC001218695921 1224198273 /nfs/dbraw/zinc/19/82/73/1224198273.db2.gz KDIYQNAYCNTGJN-KRWDZBQOSA-N 2 0 372.517 0.823 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076046672 1194272911 /nfs/dbraw/zinc/27/29/11/1194272911.db2.gz GNRFLENIKGGNDT-RRQGHBQHSA-N 2 0 353.426 0.759 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CCOCC4)cn2)CC1 ZINC001218725211 1224205537 /nfs/dbraw/zinc/20/55/37/1224205537.db2.gz UJYSPGKUENJBAY-INIZCTEOSA-N 2 0 359.474 0.964 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001218730475 1224206765 /nfs/dbraw/zinc/20/67/65/1224206765.db2.gz BOFHIGBDCGFLDC-ZACQAIPSSA-N 2 0 359.474 0.977 20 0 FCADRP Cc1cnn(Cc2ccccn2)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218741735 1224208804 /nfs/dbraw/zinc/20/88/04/1224208804.db2.gz QHYFCQGWJMSEPW-INIZCTEOSA-N 2 0 357.462 0.324 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001076206587 1194353678 /nfs/dbraw/zinc/35/36/78/1194353678.db2.gz WWTADODIWJPBQQ-RYQLBKOJSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001076418590 1194466641 /nfs/dbraw/zinc/46/66/41/1194466641.db2.gz GBUMRQRMFZIILL-ZWKOTPCHSA-N 2 0 360.506 0.931 20 0 FCADRP CCOCCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795227 1224220071 /nfs/dbraw/zinc/22/00/71/1224220071.db2.gz XXBPDUQDKSSYFT-DNVCBOLYSA-N 2 0 369.506 0.613 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469137 1194503176 /nfs/dbraw/zinc/50/31/76/1194503176.db2.gz SNCRPNXLFGGDHA-ARFHVFGLSA-N 2 0 356.474 0.394 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504623 1194529173 /nfs/dbraw/zinc/52/91/73/1194529173.db2.gz IZRWKNJNJBXQBQ-BMGDILEWSA-N 2 0 371.485 0.947 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001076604171 1194589031 /nfs/dbraw/zinc/58/90/31/1194589031.db2.gz QCGNYUYEWATGEP-RCCFBDPRSA-N 2 0 356.470 0.783 20 0 FCADRP O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218849926 1224239530 /nfs/dbraw/zinc/23/95/30/1224239530.db2.gz BFXWWZBCMZRBRK-KRWDZBQOSA-N 2 0 372.469 0.972 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001218879686 1224243350 /nfs/dbraw/zinc/24/33/50/1224243350.db2.gz GKPLCWJGMLVPRP-QGZVFWFLSA-N 2 0 372.469 0.829 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)cc1 ZINC001218855206 1224240298 /nfs/dbraw/zinc/24/02/98/1224240298.db2.gz GNNDMRLVNPBYLR-JXFKEZNVSA-N 2 0 373.501 0.648 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H](O)COC(C)(C)C)C2)C1=O ZINC001276798154 1224249618 /nfs/dbraw/zinc/24/96/18/1224249618.db2.gz BBRJVZPYZTXYHU-BEFAXECRSA-N 2 0 369.506 0.565 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)cc2F)CC1 ZINC001218889814 1224249825 /nfs/dbraw/zinc/24/98/25/1224249825.db2.gz NHDSWEQXEISCJF-IFXJQAMLSA-N 2 0 361.465 0.858 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563447 1195222353 /nfs/dbraw/zinc/22/23/53/1195222353.db2.gz QDDAQLXBMWSHJI-KURKYZTESA-N 2 0 365.518 0.983 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218989 1195327185 /nfs/dbraw/zinc/32/71/85/1195327185.db2.gz DUBDMGGGVRYLEO-RCCFBDPRSA-N 2 0 365.518 0.840 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CC1 ZINC001218965315 1224273181 /nfs/dbraw/zinc/27/31/81/1224273181.db2.gz JQEWXLFZQXYWAK-RCCFBDPRSA-N 2 0 363.502 0.809 20 0 FCADRP O=C(NCc1cccnc1)c1cccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218974225 1224276181 /nfs/dbraw/zinc/27/61/81/1224276181.db2.gz HSXTVSWQNQTWOI-QGZVFWFLSA-N 2 0 365.437 0.759 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(C2([NH3+])CCC2)cc1)C(N)=O ZINC001218973437 1224276309 /nfs/dbraw/zinc/27/63/09/1224276309.db2.gz GQEBILZBYGMYJJ-SMDDNHRTSA-N 2 0 361.446 0.061 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276282 1195377496 /nfs/dbraw/zinc/37/74/96/1195377496.db2.gz VWAXTQPCEKLWOT-KBAYOESNSA-N 2 0 358.442 0.987 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993528 1224281578 /nfs/dbraw/zinc/28/15/78/1224281578.db2.gz QHWKRBBPLZBRQM-RDJZCZTQSA-N 3 0 359.474 0.676 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396021 1195493197 /nfs/dbraw/zinc/49/31/97/1195493197.db2.gz KVMNCIRTLMYZJA-KBRIMQKVSA-N 2 0 371.441 0.026 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396115 1195494617 /nfs/dbraw/zinc/49/46/17/1195494617.db2.gz OUFXRAHAVBKFFX-BMGDILEWSA-N 2 0 358.442 0.926 20 0 FCADRP O=C(Nc1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cnccn1 ZINC001219020886 1224296087 /nfs/dbraw/zinc/29/60/87/1224296087.db2.gz QQAPSMMQXKVCAY-BFUOFWGJSA-N 2 0 366.425 0.867 20 0 FCADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000907757226 1195710130 /nfs/dbraw/zinc/71/01/30/1195710130.db2.gz UWNDNFPEDXRMPO-SJORKVTESA-N 2 0 369.506 0.879 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000908000497 1195721078 /nfs/dbraw/zinc/72/10/78/1195721078.db2.gz GAZBOGLALOAULZ-UHFFFAOYSA-N 2 0 367.582 0.935 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630936 1195802864 /nfs/dbraw/zinc/80/28/64/1195802864.db2.gz VPAXHQADRCZONV-JQHSSLGASA-N 2 0 371.441 0.611 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001219033429 1224305653 /nfs/dbraw/zinc/30/56/53/1224305653.db2.gz LBSWRKXLLAHNOX-FGTMMUONSA-N 2 0 367.490 0.189 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000910830778 1195850900 /nfs/dbraw/zinc/85/09/00/1195850900.db2.gz UJNICFJZKDRWNQ-IRXDYDNUSA-N 2 0 373.501 0.919 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[NH+]2CCCC2)c1 ZINC000910962831 1195869118 /nfs/dbraw/zinc/86/91/18/1195869118.db2.gz GQILYXFMKHEJFY-INIZCTEOSA-N 2 0 360.458 0.556 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000911016085 1195878436 /nfs/dbraw/zinc/87/84/36/1195878436.db2.gz SYRHQOINWPENKC-HYVNUMGLSA-N 2 0 366.506 0.068 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000911092757 1195887812 /nfs/dbraw/zinc/88/78/12/1195887812.db2.gz VCMHPHKJYPZXFQ-RBUKOAKNSA-N 2 0 372.513 0.865 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911127708 1195893450 /nfs/dbraw/zinc/89/34/50/1195893450.db2.gz YDPYBKMTWXEQAL-RDJZCZTQSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911148920 1195899117 /nfs/dbraw/zinc/89/91/17/1195899117.db2.gz SVTKTSPIJXXSFJ-GOSISDBHSA-N 2 0 358.486 0.809 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000911187110 1195904377 /nfs/dbraw/zinc/90/43/77/1195904377.db2.gz MGZOHVDYYAPKFD-MSOLQXFVSA-N 2 0 358.486 0.822 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911194483 1195907597 /nfs/dbraw/zinc/90/75/97/1195907597.db2.gz OBSBFFZGVSADJW-NXHRZFHOSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000911240967 1195921169 /nfs/dbraw/zinc/92/11/69/1195921169.db2.gz BTOIKIMNMIOTEJ-QXCFHYIPSA-N 2 0 370.497 0.834 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911270547 1195925135 /nfs/dbraw/zinc/92/51/35/1195925135.db2.gz YMTMGZAVCZYVCF-DLBZAZTESA-N 2 0 367.538 0.025 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318382 1195938148 /nfs/dbraw/zinc/93/81/48/1195938148.db2.gz GHNNNSWCRVCWME-SJORKVTESA-N 2 0 368.522 0.658 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000911350127 1195939279 /nfs/dbraw/zinc/93/92/79/1195939279.db2.gz AMCVGWZWAJXPBQ-CIRFHOKZSA-N 2 0 358.486 0.676 20 0 FCADRP C[NH+]1CCC(N(CCO)C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000911939515 1196322847 /nfs/dbraw/zinc/32/28/47/1196322847.db2.gz VQMGWSQVHLZFEC-UHFFFAOYSA-N 2 0 374.529 0.963 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1CC[NH+](CC3CC3)CC1)C[C@@H]2C(=O)N(C)C ZINC001168394575 1196497826 /nfs/dbraw/zinc/49/78/26/1196497826.db2.gz CJQQOMOIAXOROL-GOSISDBHSA-N 2 0 362.518 0.729 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592959829 1196601567 /nfs/dbraw/zinc/60/15/67/1196601567.db2.gz WSIIURMQLWGWCU-ZIAGYGMSSA-N 2 0 362.478 0.036 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106142970 1197291764 /nfs/dbraw/zinc/29/17/64/1197291764.db2.gz HRFFOGBXMHTSDN-ATZDWAIDSA-N 2 0 359.518 0.989 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)CCC1 ZINC000992688426 1197302478 /nfs/dbraw/zinc/30/24/78/1197302478.db2.gz LXRVMLFRFWZDGP-FRQCXROJSA-N 2 0 362.518 0.872 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283642 1224414160 /nfs/dbraw/zinc/41/41/60/1224414160.db2.gz WTPJTELHKDQKKC-CJNGLKHVSA-N 2 0 364.421 0.644 20 0 FCADRP [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001219290762 1224416696 /nfs/dbraw/zinc/41/66/96/1224416696.db2.gz KUCJZKONWOQQPQ-AWEZNQCLSA-N 2 0 363.437 0.022 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106196176 1197629392 /nfs/dbraw/zinc/62/93/92/1197629392.db2.gz VKCJQHJRTMJOHH-INMHGKMJSA-N 2 0 370.513 0.971 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085217692 1197692852 /nfs/dbraw/zinc/69/28/52/1197692852.db2.gz MDPZMQGECJWBRZ-RBSFLKMASA-N 2 0 364.494 0.500 20 0 FCADRP CCc1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CN(C)C[C@@H](C)O2)o1 ZINC001085242736 1197739766 /nfs/dbraw/zinc/73/97/66/1197739766.db2.gz FEDBRRXXXHHAFU-KBUPBQIOSA-N 2 0 365.478 0.868 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274356 1197743313 /nfs/dbraw/zinc/74/33/13/1197743313.db2.gz HITDELSPWBGJTD-RCCFBDPRSA-N 2 0 366.506 0.792 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001085257858 1197757886 /nfs/dbraw/zinc/75/78/86/1197757886.db2.gz CGMNROFZCKYBJV-RBSFLKMASA-N 2 0 362.474 0.437 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106244479 1197775800 /nfs/dbraw/zinc/77/58/00/1197775800.db2.gz LZHGWASSCGFXOV-BRWVUGGUSA-N 2 0 363.506 0.412 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001106249656 1197782265 /nfs/dbraw/zinc/78/22/65/1197782265.db2.gz MHIPUXSMAMCYFI-FSPWUOQZSA-N 2 0 362.522 0.919 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106248012 1197782566 /nfs/dbraw/zinc/78/25/66/1197782566.db2.gz GWIXCBMNZYUMPM-HUUCEWRRSA-N 2 0 364.490 0.304 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249832 1197787515 /nfs/dbraw/zinc/78/75/15/1197787515.db2.gz SHGQJTXYSWXLLS-QGPMSJSTSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661218 1197800082 /nfs/dbraw/zinc/80/00/82/1197800082.db2.gz JYLJQFPZGFUHTD-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282051 1197826039 /nfs/dbraw/zinc/82/60/39/1197826039.db2.gz QUHZXJMLSJNYNR-NUJGCVRESA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106316136 1197863367 /nfs/dbraw/zinc/86/33/67/1197863367.db2.gz FRQFVGPGTPLNMB-HZPDHXFCSA-N 2 0 368.522 0.117 20 0 FCADRP CC1(C)CC(=O)Nc2c(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cccc21 ZINC001219367526 1224444036 /nfs/dbraw/zinc/44/40/36/1224444036.db2.gz RAPBWWVOYFCJGS-CQSZACIVSA-N 2 0 359.474 0.995 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106336105 1197867977 /nfs/dbraw/zinc/86/79/77/1197867977.db2.gz CJJOBGNQZAARAA-MGPQQGTHSA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106346565 1197873841 /nfs/dbraw/zinc/87/38/41/1197873841.db2.gz IHADEQILFZIYEF-BFYDXBDKSA-N 2 0 359.474 0.481 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)NC1CC1 ZINC001106372786 1197883589 /nfs/dbraw/zinc/88/35/89/1197883589.db2.gz LIQGYMNLTKLSJU-OWCLPIDISA-N 2 0 362.518 0.966 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106472402 1197954035 /nfs/dbraw/zinc/95/40/35/1197954035.db2.gz XNNPYTXFBJSFEA-NVXWUHKLSA-N 2 0 360.502 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106472408 1197954080 /nfs/dbraw/zinc/95/40/80/1197954080.db2.gz XTWKJTHGCITPDP-SZVBFZGTSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106471650 1197954316 /nfs/dbraw/zinc/95/43/16/1197954316.db2.gz DRVCZLVEXANMHE-IDHHARJASA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106471651 1197954825 /nfs/dbraw/zinc/95/48/25/1197954825.db2.gz DRVCZLVEXANMHE-OGWOLHLISA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106477010 1197958421 /nfs/dbraw/zinc/95/84/21/1197958421.db2.gz DDCCDSPQKHFTQU-NXHRZFHOSA-N 2 0 360.506 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106621377 1198038005 /nfs/dbraw/zinc/03/80/05/1198038005.db2.gz IHRYNWNYTFFUBV-KBAYOESNSA-N 2 0 363.506 0.270 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC[N@@H+]1C ZINC001086091778 1198156912 /nfs/dbraw/zinc/15/69/12/1198156912.db2.gz NJHLKLWBYKVMMB-BQJWPVKWSA-N 2 0 360.506 0.980 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001086090745 1198157999 /nfs/dbraw/zinc/15/79/99/1198157999.db2.gz OZTUDJRSKSOEQP-LVQVYYBASA-N 2 0 360.506 0.939 20 0 FCADRP C[C@@H](C(=O)N1CCN(Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273403291 1198202396 /nfs/dbraw/zinc/20/23/96/1198202396.db2.gz CEUNZCIMLQTLCW-HNAYVOBHSA-N 2 0 361.490 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001086371698 1198333560 /nfs/dbraw/zinc/33/35/60/1198333560.db2.gz SWLMBTCUJGBAEJ-YHUYYLMFSA-N 2 0 364.490 0.350 20 0 FCADRP CCn1nnc(-c2ccccc2NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219483326 1224483538 /nfs/dbraw/zinc/48/35/38/1224483538.db2.gz UOYBTUPIRLGZJL-AWEZNQCLSA-N 2 0 358.450 0.049 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@H]1C[NH2+]CCO1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501587 1224489044 /nfs/dbraw/zinc/48/90/44/1224489044.db2.gz XIGOKOUQRXKLJK-BBATYDOGSA-N 2 0 360.414 0.195 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498347 1224488312 /nfs/dbraw/zinc/48/83/12/1224488312.db2.gz WTMJCOMIAZWEOK-KZULUSFZSA-N 2 0 370.413 0.110 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CCC3(C[NH2+]C3)O1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501518 1224489417 /nfs/dbraw/zinc/48/94/17/1224489417.db2.gz VVLJYYATJIUKIU-IFXJQAMLSA-N 2 0 372.425 0.338 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504562 1224491679 /nfs/dbraw/zinc/49/16/79/1224491679.db2.gz VARBUHCOLCGNBO-LPHOPBHVSA-N 3 0 373.457 0.144 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537849 1224502594 /nfs/dbraw/zinc/50/25/94/1224502594.db2.gz QQIRNHFDLNXKFA-ZQIUZPCESA-N 2 0 366.421 0.742 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)cc(=O)oc2c1 ZINC001219589533 1224518880 /nfs/dbraw/zinc/51/88/80/1224518880.db2.gz VTJXYUSIZDEEQY-RBOXIYTFSA-N 2 0 359.426 0.928 20 0 FCADRP C[C@H]1CN(c2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)nn2)CC[NH2+]1 ZINC001168878662 1199038161 /nfs/dbraw/zinc/03/81/61/1199038161.db2.gz WDEXENLIQRQYDP-LBPRGKRZSA-N 2 0 351.418 0.376 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617969 1224529567 /nfs/dbraw/zinc/52/95/67/1224529567.db2.gz SPFONQMIOYHSFC-JENIJYKNSA-N 2 0 364.465 0.029 20 0 FCADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219635747 1224540265 /nfs/dbraw/zinc/54/02/65/1224540265.db2.gz PUOSQYVMGOAHTO-RLFYNMQTSA-N 2 0 359.449 0.930 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC001219651814 1224545680 /nfs/dbraw/zinc/54/56/80/1224545680.db2.gz XTVPJFSPLVTQIO-LULLPPNCSA-N 2 0 372.513 0.909 20 0 FCADRP C[C@@H]1C[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001219684257 1224560316 /nfs/dbraw/zinc/56/03/16/1224560316.db2.gz MHVVFSGCFQHKQJ-BGTYHANMSA-N 2 0 358.486 0.580 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3[nH]2)C1 ZINC001219714566 1224571509 /nfs/dbraw/zinc/57/15/09/1224571509.db2.gz OYMPJNIVQKGKDO-BNEJOLLZSA-N 2 0 357.458 0.081 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722696 1224576831 /nfs/dbraw/zinc/57/68/31/1224576831.db2.gz DPQKRPHJJFRZNA-ZWKOTPCHSA-N 3 0 360.502 0.314 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737181 1224585485 /nfs/dbraw/zinc/58/54/85/1224585485.db2.gz QFGUMKGKCZZQNY-ROUUACIJSA-N 2 0 358.486 0.345 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744073 1224589815 /nfs/dbraw/zinc/58/98/15/1224589815.db2.gz RPZKMFGQDKMOAR-HOCLYGCPSA-N 2 0 357.458 0.850 20 0 FCADRP [NH3+][C@H](CC(=O)NCc1nnc2n1CCC[NH2+]C2)Cc1ccc(F)c(F)c1 ZINC001219749513 1224594414 /nfs/dbraw/zinc/59/44/14/1224594414.db2.gz OBXOWPAVYUQBSQ-LBPRGKRZSA-N 2 0 364.400 0.626 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750222 1224596380 /nfs/dbraw/zinc/59/63/80/1224596380.db2.gz XWPMMAHEOLXHEV-LBPRGKRZSA-N 2 0 366.466 0.227 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219764870 1224600915 /nfs/dbraw/zinc/60/09/15/1224600915.db2.gz NORICLMDNJKJQJ-RYRKJORJSA-N 2 0 361.490 0.026 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764450 1224601095 /nfs/dbraw/zinc/60/10/95/1224601095.db2.gz GACBRLVMISQNPL-FUMNGEBKSA-N 2 0 372.513 0.734 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764567 1224601148 /nfs/dbraw/zinc/60/11/48/1224601148.db2.gz ICYIFLJKENLHPA-INWMFGNUSA-N 2 0 370.419 0.985 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449474 1200287441 /nfs/dbraw/zinc/28/74/41/1200287441.db2.gz WVYDZBQGXPYNAO-QZWWFDLISA-N 2 0 369.506 0.074 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449473 1200287779 /nfs/dbraw/zinc/28/77/79/1200287779.db2.gz WVYDZBQGXPYNAO-NCOADZHNSA-N 2 0 369.506 0.074 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765808 1224602105 /nfs/dbraw/zinc/60/21/05/1224602105.db2.gz CSRBOCIVKDRLDS-FHLIZLRMSA-N 2 0 353.470 0.515 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768699 1224603874 /nfs/dbraw/zinc/60/38/74/1224603874.db2.gz PFYRJBSAKCNDGV-KBXCAEBGSA-N 2 0 365.453 0.517 20 0 FCADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219771401 1224606679 /nfs/dbraw/zinc/60/66/79/1224606679.db2.gz MEEUTIVAJHUPTC-RHSMWYFYSA-N 2 0 362.409 0.212 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219782973 1224611713 /nfs/dbraw/zinc/61/17/13/1224611713.db2.gz OMEHRNRVEGIDMC-IRXDYDNUSA-N 2 0 354.454 0.747 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219790632 1224613211 /nfs/dbraw/zinc/61/32/11/1224613211.db2.gz KGJGZBHVGZZORP-OAHLLOKOSA-N 2 0 369.473 0.227 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219791985 1224614887 /nfs/dbraw/zinc/61/48/87/1224614887.db2.gz XTMAGJQIDDIJAO-VQIMIIECSA-N 2 0 359.518 0.788 20 0 FCADRP Cn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)cn1 ZINC001109847735 1200560624 /nfs/dbraw/zinc/56/06/24/1200560624.db2.gz FFCNJGIXVJHAQP-SQNIBIBYSA-N 2 0 361.490 0.406 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001109982620 1200674914 /nfs/dbraw/zinc/67/49/14/1200674914.db2.gz LMGVZQNACREELP-BDXSIMOUSA-N 2 0 363.502 0.999 20 0 FCADRP NC1(C(=O)NCc2noc3c2C[NH2+]CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001219810917 1224628713 /nfs/dbraw/zinc/62/87/13/1224628713.db2.gz HCDMJXTXQBYNBD-UHFFFAOYSA-N 2 0 369.469 0.930 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000785521703 1200766531 /nfs/dbraw/zinc/76/65/31/1200766531.db2.gz VILPRKGWVLTOOE-IRXDYDNUSA-N 2 0 366.506 0.204 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551991 1200773189 /nfs/dbraw/zinc/77/31/89/1200773189.db2.gz ZWUAHTMEASOODV-BJLQDIEVSA-N 2 0 367.534 0.944 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112548695 1200773998 /nfs/dbraw/zinc/77/39/98/1200773998.db2.gz MGGJUTWLMRUODT-GLJUWKHASA-N 2 0 367.494 0.130 20 0 FCADRP COc1ccc(CC2(C(=O)NC[C@]34C[NH2+]C[C@H]3COC4)CC[NH2+]CC2)cc1 ZINC001219815421 1224631030 /nfs/dbraw/zinc/63/10/30/1224631030.db2.gz YWXHJEFANYKMDJ-UWJYYQICSA-N 2 0 373.497 0.960 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112557428 1200783656 /nfs/dbraw/zinc/78/36/56/1200783656.db2.gz GAUYPRBOJUFMJC-KSSFIOAISA-N 2 0 364.494 0.169 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112557662 1200784717 /nfs/dbraw/zinc/78/47/17/1200784717.db2.gz RIELQDOEMYSBHZ-DEYYWGMASA-N 2 0 367.494 0.130 20 0 FCADRP Cc1nonc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563768 1200794875 /nfs/dbraw/zinc/79/48/75/1200794875.db2.gz MSBNFUTZQKJJME-YJBOKZPZSA-N 2 0 365.478 0.675 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112563977 1200800639 /nfs/dbraw/zinc/80/06/39/1200800639.db2.gz XHYJKWWRUMIXLZ-BXWFABGCSA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112586177 1200822690 /nfs/dbraw/zinc/82/26/90/1200822690.db2.gz LBBWLYMKIMLAFG-KSSFIOAISA-N 2 0 364.494 0.167 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787113597 1200863811 /nfs/dbraw/zinc/86/38/11/1200863811.db2.gz HRIJMHMFKARCLX-KRWDZBQOSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000787911900 1200919577 /nfs/dbraw/zinc/91/95/77/1200919577.db2.gz QWXYTQLNWJVWJM-KRWDZBQOSA-N 2 0 367.538 0.121 20 0 FCADRP O=C(Cc1ccc2c(c1)C[NH2+]CC2)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834494 1224645794 /nfs/dbraw/zinc/64/57/94/1224645794.db2.gz QNFPIHZNZVWQDV-OXQOHEQNSA-N 2 0 359.470 0.386 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219831784 1224643533 /nfs/dbraw/zinc/64/35/33/1224643533.db2.gz YDKZBESEWKHXDZ-KNCCTNLNSA-N 2 0 357.454 0.830 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219831457 1224644086 /nfs/dbraw/zinc/64/40/86/1224644086.db2.gz LPZCUBLQILEGKW-MKXGPGLRSA-N 2 0 370.497 0.201 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838350 1224647268 /nfs/dbraw/zinc/64/72/68/1224647268.db2.gz PHJQGXAURLBADX-IEZWGBDMSA-N 2 0 363.458 0.076 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001219837295 1224647713 /nfs/dbraw/zinc/64/77/13/1224647713.db2.gz IYFQLRAUGYPPHV-YLJYHZDGSA-N 2 0 373.497 0.819 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838754 1224647754 /nfs/dbraw/zinc/64/77/54/1224647754.db2.gz UFKGHHGJSOSENZ-POZUXBRTSA-N 2 0 363.458 0.596 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847295 1224651201 /nfs/dbraw/zinc/65/12/01/1224651201.db2.gz BZDCADLORKNDNC-CADBVGFASA-N 2 0 369.469 0.437 20 0 FCADRP Cc1ccc([C@@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)N2CCC[NH2+]CC2)cc1 ZINC001219848060 1224652762 /nfs/dbraw/zinc/65/27/62/1224652762.db2.gz VWYVWCFZMJIFSJ-LWYYNNOASA-N 2 0 372.513 0.967 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncnc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170393020 1201208901 /nfs/dbraw/zinc/20/89/01/1201208901.db2.gz JEDTXROBPNHPEK-DWBZUHSKSA-N 2 0 367.494 0.750 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000793715095 1201254333 /nfs/dbraw/zinc/25/43/33/1201254333.db2.gz WPCHGJVPPWARKL-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000793707985 1201260853 /nfs/dbraw/zinc/26/08/53/1201260853.db2.gz HIQWIJXUFSKHFW-INIZCTEOSA-N 2 0 359.474 0.721 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000793737391 1201263237 /nfs/dbraw/zinc/26/32/37/1201263237.db2.gz IHJMNFZBGWBLCT-HOTGVXAUSA-N 2 0 366.506 0.345 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393918 1201295163 /nfs/dbraw/zinc/29/51/63/1201295163.db2.gz XLWCGSQFOXMVRH-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407684 1201299141 /nfs/dbraw/zinc/29/91/41/1201299141.db2.gz SXDQOFXHPOIPAP-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453535 1201312396 /nfs/dbraw/zinc/31/23/96/1201312396.db2.gz BLLCZEHDZBWWJI-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438530 1201317850 /nfs/dbraw/zinc/31/78/50/1201317850.db2.gz WBACEHHHTNVMLE-ZACQAIPSSA-N 2 0 364.494 0.267 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129684773 1201369862 /nfs/dbraw/zinc/36/98/62/1201369862.db2.gz KCCJIVNHGPZEJX-IKGGRYGDSA-N 2 0 362.478 0.140 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001219877704 1224668862 /nfs/dbraw/zinc/66/88/62/1224668862.db2.gz OXQYMGVBWLSROD-SJORKVTESA-N 2 0 367.534 0.942 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892289 1201416023 /nfs/dbraw/zinc/41/60/23/1201416023.db2.gz PQUJVNABPAWXED-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894691 1201428339 /nfs/dbraw/zinc/42/83/39/1201428339.db2.gz PPAOOYVXVVRROL-CVEARBPZSA-N 2 0 364.494 0.529 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129932309 1201435437 /nfs/dbraw/zinc/43/54/37/1201435437.db2.gz VTQRKUXHJPSNJL-CVEARBPZSA-N 2 0 355.402 0.228 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129925034 1201444432 /nfs/dbraw/zinc/44/44/32/1201444432.db2.gz QFCDXNSXISJACE-XYPHTWIQSA-N 2 0 369.429 0.616 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985452 1201463750 /nfs/dbraw/zinc/46/37/50/1201463750.db2.gz XXNLIENMDYPSSX-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129986513 1201468083 /nfs/dbraw/zinc/46/80/83/1201468083.db2.gz DHDPOWJRCXMFSQ-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992106 1201470367 /nfs/dbraw/zinc/47/03/67/1201470367.db2.gz LGAVEBADOOXTEU-SJORKVTESA-N 2 0 357.462 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001129991994 1201470510 /nfs/dbraw/zinc/47/05/10/1201470510.db2.gz GWLNUZYSBLPROF-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129992209 1201470583 /nfs/dbraw/zinc/47/05/83/1201470583.db2.gz RLGIYPNXKKLBLH-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011905 1201471242 /nfs/dbraw/zinc/47/12/42/1201471242.db2.gz DOOZPFBBQSBDMS-CVEARBPZSA-N 2 0 366.510 0.634 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054950 1201484250 /nfs/dbraw/zinc/48/42/50/1201484250.db2.gz YVNPTOTVUQPUHV-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094833 1201498555 /nfs/dbraw/zinc/49/85/55/1201498555.db2.gz RTKSKXASQUKBIC-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130096784 1201499211 /nfs/dbraw/zinc/49/92/11/1201499211.db2.gz QODUDRFRZOPIHO-BBWFWOEESA-N 2 0 366.510 0.777 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130136964 1201514491 /nfs/dbraw/zinc/51/44/91/1201514491.db2.gz BNGHKHJXVXZJMK-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130137180 1201514709 /nfs/dbraw/zinc/51/47/09/1201514709.db2.gz MZSATNFQCBEORY-SJORKVTESA-N 2 0 357.462 0.555 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130137328 1201515207 /nfs/dbraw/zinc/51/52/07/1201515207.db2.gz UFNIWQJAANBWRX-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130137419 1201515260 /nfs/dbraw/zinc/51/52/60/1201515260.db2.gz YHCXFVWAPOPEIJ-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1)[NH+](C)C ZINC001130221164 1201550424 /nfs/dbraw/zinc/55/04/24/1201550424.db2.gz XPIYMQRCIMXZLY-MJBXVCDLSA-N 2 0 370.473 0.583 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001130220778 1201550808 /nfs/dbraw/zinc/55/08/08/1201550808.db2.gz LTKPLZZNHKUJRZ-DZKIICNBSA-N 2 0 364.494 0.632 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001130221181 1201551238 /nfs/dbraw/zinc/55/12/38/1201551238.db2.gz YKLCGXVDDNLYLJ-OFQRWUPVSA-N 2 0 364.494 0.633 20 0 FCADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219929742 1224686661 /nfs/dbraw/zinc/68/66/61/1224686661.db2.gz QZXZJURKKMRPFL-INIZCTEOSA-N 2 0 354.458 0.781 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930556 1224686881 /nfs/dbraw/zinc/68/68/81/1224686881.db2.gz CKGQFXLBMHWSBM-HZPDHXFCSA-N 2 0 360.458 0.564 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]([NH3+])C3CCC(O)CC3)c2)CC1 ZINC001219961654 1224703365 /nfs/dbraw/zinc/70/33/65/1224703365.db2.gz QHJFHAHMKUOWMO-KVZIAJEVSA-N 2 0 360.502 0.933 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)CC[NH2+]CC1 ZINC001219998914 1224722768 /nfs/dbraw/zinc/72/27/68/1224722768.db2.gz FMYYOWIYDPKGAQ-MRXNPFEDSA-N 2 0 373.453 0.748 20 0 FCADRP COC(=O)C1(NC(=O)C2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001219999632 1224722480 /nfs/dbraw/zinc/72/24/80/1224722480.db2.gz ZHPCSUIUHVIVJF-UHFFFAOYSA-N 2 0 360.458 0.405 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cn(C)c3ccccc23)CC[NH2+]CC1 ZINC001220001276 1224723841 /nfs/dbraw/zinc/72/38/41/1224723841.db2.gz OKHQGARSHPEMBH-HNNXBMFYSA-N 2 0 358.442 0.460 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)COC1 ZINC001220020373 1224729573 /nfs/dbraw/zinc/72/95/73/1224729573.db2.gz GNDRUMYBMZNUML-QGZVFWFLSA-N 3 0 358.486 0.617 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)CCC([NH3+])CC1 ZINC001220039458 1224735089 /nfs/dbraw/zinc/73/50/89/1224735089.db2.gz FUFDJHBQMDJCHF-ZBUUCQELSA-N 2 0 369.506 0.963 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614895 1202731474 /nfs/dbraw/zinc/73/14/74/1202731474.db2.gz GOXPZMHMCNZAJD-CGTJXYLNSA-N 2 0 363.506 0.825 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654811 1202744238 /nfs/dbraw/zinc/74/42/38/1202744238.db2.gz VQFHSKIRYHSYFK-HLLBOEOZSA-N 2 0 363.506 0.681 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669237 1202750983 /nfs/dbraw/zinc/75/09/83/1202750983.db2.gz BCVNMBPCESPIJT-GOEBONIOSA-N 2 0 360.462 0.752 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]C[C@H]2CCCCO2)c1 ZINC001130670289 1202751638 /nfs/dbraw/zinc/75/16/38/1202751638.db2.gz VRUZIPVBCAXGHG-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712664 1202759427 /nfs/dbraw/zinc/75/94/27/1202759427.db2.gz GDHWSLMAHDUVGM-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130719297 1202765780 /nfs/dbraw/zinc/76/57/80/1202765780.db2.gz IBMZGLYFSBDGMK-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731792 1202772190 /nfs/dbraw/zinc/77/21/90/1202772190.db2.gz POECYYDIHSKKFR-SOLBZPMBSA-N 2 0 363.506 0.561 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000806813749 1202777308 /nfs/dbraw/zinc/77/73/08/1202777308.db2.gz ANQDYACOKKKXLM-XYJFISCASA-N 2 0 368.522 0.726 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130816158 1202806927 /nfs/dbraw/zinc/80/69/27/1202806927.db2.gz MYOJOLOVCHJQBT-QLFBSQMISA-N 2 0 364.494 0.981 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017941 1202843761 /nfs/dbraw/zinc/84/37/61/1202843761.db2.gz UCJHGRVKKRWZHG-ZACQAIPSSA-N 2 0 363.506 0.825 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010336 1202844150 /nfs/dbraw/zinc/84/41/50/1202844150.db2.gz JJUBTLUOEJTHNW-USXIJHARSA-N 2 0 363.506 0.823 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001131061439 1202854037 /nfs/dbraw/zinc/85/40/37/1202854037.db2.gz DONFODFLVBSBKP-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131053951 1202854708 /nfs/dbraw/zinc/85/47/08/1202854708.db2.gz KKBMBNZOLCYLEL-MWDXBVQZSA-N 2 0 363.506 0.681 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055559 1202854976 /nfs/dbraw/zinc/85/49/76/1202854976.db2.gz BGXYJCMDGQTXEA-BZUAXINKSA-N 2 0 363.506 0.681 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131071890 1202856546 /nfs/dbraw/zinc/85/65/46/1202856546.db2.gz BGWMFEXTWWJDKM-HZPDHXFCSA-N 2 0 363.506 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072244 1202856771 /nfs/dbraw/zinc/85/67/71/1202856771.db2.gz PGYDGNZPVDKTIQ-HZPDHXFCSA-N 2 0 365.522 0.928 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131092072 1202861351 /nfs/dbraw/zinc/86/13/51/1202861351.db2.gz ZYXLVHBOZKRKDT-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086660096 1202872933 /nfs/dbraw/zinc/87/29/33/1202872933.db2.gz XPUKLJAATDDFTH-ARFHVFGLSA-N 2 0 363.510 0.942 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316715 1202885953 /nfs/dbraw/zinc/88/59/53/1202885953.db2.gz STLOHLUBRYCMDV-OAGGEKHMSA-N 2 0 368.478 0.079 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1 ZINC001131313594 1202888041 /nfs/dbraw/zinc/88/80/41/1202888041.db2.gz XAWFQYKWUXHCHI-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001131550016 1202914228 /nfs/dbraw/zinc/91/42/28/1202914228.db2.gz JWMXTEDCTZJPRX-BMFZPTHFSA-N 2 0 366.506 0.188 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001131550018 1202914420 /nfs/dbraw/zinc/91/44/20/1202914420.db2.gz JWMXTEDCTZJPRX-IMJJTQAJSA-N 2 0 366.506 0.188 20 0 FCADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+](CC)CC ZINC001131564727 1202914725 /nfs/dbraw/zinc/91/47/25/1202914725.db2.gz SCVACLUHBXWTQG-NUJGCVRESA-N 2 0 368.522 0.578 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1)C(N)=O ZINC001131608782 1202920699 /nfs/dbraw/zinc/92/06/99/1202920699.db2.gz MTGVFVYMCMGPEA-JZXOWHBKSA-N 2 0 368.522 0.576 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001134120572 1203014913 /nfs/dbraw/zinc/01/49/13/1203014913.db2.gz CAYZFVXJWQYLFJ-SJORKVTESA-N 2 0 360.502 0.952 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001086755585 1203078748 /nfs/dbraw/zinc/07/87/48/1203078748.db2.gz CRCOZVPQJIPYFM-LZWOXQAQSA-N 2 0 368.441 0.644 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001086755567 1203078959 /nfs/dbraw/zinc/07/89/59/1203078959.db2.gz BYYPFFCTLCXMTB-HZSPNIEDSA-N 2 0 356.430 0.629 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086785344 1203090061 /nfs/dbraw/zinc/09/00/61/1203090061.db2.gz VAKZPOSLWRKSDM-ZMSDIMECSA-N 2 0 364.494 0.299 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001086784971 1203092457 /nfs/dbraw/zinc/09/24/57/1203092457.db2.gz DFAPCXGVOJVWIT-JZXOWHBKSA-N 2 0 363.506 0.904 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817927201 1203124560 /nfs/dbraw/zinc/12/45/60/1203124560.db2.gz ZCKPQYQJZIZFTG-WMZOPIPTSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000817926424 1203126590 /nfs/dbraw/zinc/12/65/90/1203126590.db2.gz IOURIQBXGPJFDV-IRXDYDNUSA-N 2 0 360.502 0.828 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000817951767 1203127862 /nfs/dbraw/zinc/12/78/62/1203127862.db2.gz HCKIFHONQOIWPP-WMLDXEAASA-N 2 0 362.474 0.281 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)c1 ZINC000817958227 1203128155 /nfs/dbraw/zinc/12/81/55/1203128155.db2.gz UCZPSIRCJYTMLP-IBGZPJMESA-N 2 0 373.457 0.093 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119146 1224777137 /nfs/dbraw/zinc/77/71/37/1224777137.db2.gz BXJBBNUEAIFGLE-ZACQAIPSSA-N 2 0 369.506 0.218 20 0 FCADRP C[C@H](C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000825388110 1203314587 /nfs/dbraw/zinc/31/45/87/1203314587.db2.gz XJRPGUNAJHEYLS-IIDMSEBBSA-N 2 0 360.502 0.956 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143682595 1203324995 /nfs/dbraw/zinc/32/49/95/1203324995.db2.gz XKHXFXIKGUHKDE-QZTJIDSGSA-N 2 0 361.486 0.978 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844178219 1203338357 /nfs/dbraw/zinc/33/83/57/1203338357.db2.gz MHGOTUMEETWUOX-KRWDZBQOSA-N 2 0 362.474 0.363 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161180 1224791374 /nfs/dbraw/zinc/79/13/74/1224791374.db2.gz ABRGABZKPPOKBB-ABSDTBQOSA-N 2 0 358.486 0.711 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220253724 1224815117 /nfs/dbraw/zinc/81/51/17/1224815117.db2.gz AGTMADYFBOVVSQ-GJZGRUSLSA-N 2 0 370.538 0.824 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310974 1224825327 /nfs/dbraw/zinc/82/53/27/1224825327.db2.gz IVKLXTHXHNGNMT-ZDUSSCGKSA-N 2 0 365.478 0.832 20 0 FCADRP [NH3+][C@@H](C(=O)NCc1ncn2c1C[NH2+]CCC2)C1CCC2(CC1)OCCO2 ZINC001220313187 1224826024 /nfs/dbraw/zinc/82/60/24/1224826024.db2.gz MADVUEAGZVKOFK-MRXNPFEDSA-N 2 0 363.462 0.253 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)cn1 ZINC000846318150 1204613291 /nfs/dbraw/zinc/61/32/91/1204613291.db2.gz BPMGPQZOUIMOKP-UHFFFAOYSA-N 2 0 358.446 0.201 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC[NH+](C)CC1 ZINC001144943367 1204664730 /nfs/dbraw/zinc/66/47/30/1204664730.db2.gz UJOLLFSJZBDUCF-MRXNPFEDSA-N 2 0 363.458 0.709 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CC[NH+](CCO)C3)ccn2)CC[N@@H+]1C ZINC001091401443 1204668264 /nfs/dbraw/zinc/66/82/64/1204668264.db2.gz YZSDFGKVUNVUMT-ZTFGCOKTSA-N 2 0 362.474 0.483 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531213 1204703904 /nfs/dbraw/zinc/70/39/04/1204703904.db2.gz MKBXFLXDUSQNFM-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543182 1204709006 /nfs/dbraw/zinc/70/90/06/1204709006.db2.gz DYQPSZRFTUMXBQ-MDZRGWNJSA-N 2 0 360.506 0.981 20 0 FCADRP CC[NH+]1CCC(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC1 ZINC001146775596 1204740971 /nfs/dbraw/zinc/74/09/71/1204740971.db2.gz SKSCZWSTFOSAKZ-UHFFFAOYSA-N 2 0 361.490 0.675 20 0 FCADRP COC(=O)C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OC(C)(C)C ZINC001220379397 1224850325 /nfs/dbraw/zinc/85/03/25/1224850325.db2.gz SFMDOFSEVIDOFD-OLZOCXBDSA-N 2 0 369.462 0.250 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387276 1224852189 /nfs/dbraw/zinc/85/21/89/1224852189.db2.gz FWPHOILKWQDEKH-KSZLIROESA-N 2 0 371.522 0.465 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091680240 1204820822 /nfs/dbraw/zinc/82/08/22/1204820822.db2.gz ZSPIITHFSPEISF-FCEWJHQRSA-N 2 0 363.506 0.874 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001091735743 1204836849 /nfs/dbraw/zinc/83/68/49/1204836849.db2.gz WHGDMDJEIXVRLR-POAQFYNOSA-N 2 0 365.518 0.793 20 0 FCADRP C[C@@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+]1CCCC1 ZINC001273448829 1204848366 /nfs/dbraw/zinc/84/83/66/1204848366.db2.gz CMLITPATLGSQCR-DOTOQJQBSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CC[NH+](CC2CC2)CC1 ZINC001086850083 1204848390 /nfs/dbraw/zinc/84/83/90/1204848390.db2.gz PHEFWJUFDDVESL-CGTJXYLNSA-N 2 0 362.518 0.871 20 0 FCADRP C[C@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+]1CCCC1 ZINC001273448830 1204848395 /nfs/dbraw/zinc/84/83/95/1204848395.db2.gz CMLITPATLGSQCR-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086882663 1204856987 /nfs/dbraw/zinc/85/69/87/1204856987.db2.gz DRWYPOXMVGVMOJ-GVDBMIGSSA-N 2 0 365.522 0.761 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086882773 1204857054 /nfs/dbraw/zinc/85/70/54/1204857054.db2.gz LKDSSLBGWADVIN-ZNMIVQPWSA-N 2 0 364.494 0.357 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001086971019 1204870502 /nfs/dbraw/zinc/87/05/02/1204870502.db2.gz SWUQYGLOIQIZME-KSZLIROESA-N 2 0 371.489 0.332 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086993145 1204884481 /nfs/dbraw/zinc/88/44/81/1204884481.db2.gz JAAZOHQOCAOQHA-BPQIPLTHSA-N 2 0 363.506 0.418 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009654 1204897087 /nfs/dbraw/zinc/89/70/87/1204897087.db2.gz RCZCYEXFGVQWNS-BPQIPLTHSA-N 2 0 371.489 0.190 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]C[C@@H]2CCOC2)cn1 ZINC001087009472 1204897226 /nfs/dbraw/zinc/89/72/26/1204897226.db2.gz HTOKJSJSYNSOPM-RYQLBKOJSA-N 2 0 361.490 0.436 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087035022 1204910909 /nfs/dbraw/zinc/91/09/09/1204910909.db2.gz IJPMIMFWPSQDSQ-FGTMMUONSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087053982 1204934200 /nfs/dbraw/zinc/93/42/00/1204934200.db2.gz OQJIRJWVHLTMNB-HYVNUMGLSA-N 2 0 365.478 0.896 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087059371 1204942634 /nfs/dbraw/zinc/94/26/34/1204942634.db2.gz BIXCYFDKZWPRSW-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087059519 1204943569 /nfs/dbraw/zinc/94/35/69/1204943569.db2.gz JXSJTBKMOTVOAN-INMHGKMJSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059710 1204943882 /nfs/dbraw/zinc/94/38/82/1204943882.db2.gz RNMYTEJWDMVMNZ-OIISXLGYSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087059663 1204944211 /nfs/dbraw/zinc/94/42/11/1204944211.db2.gz OUVPNCYJVMGNCZ-OIISXLGYSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087060519 1204945322 /nfs/dbraw/zinc/94/53/22/1204945322.db2.gz KMSIZQCMWFXEIU-HYVNUMGLSA-N 2 0 365.478 0.897 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087060958 1204946297 /nfs/dbraw/zinc/94/62/97/1204946297.db2.gz HLFBQPVFTMUKDJ-INMHGKMJSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087063396 1204950797 /nfs/dbraw/zinc/95/07/97/1204950797.db2.gz WSUKLNCVTXSLAE-BRWVUGGUSA-N 2 0 361.490 0.914 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083355 1204969659 /nfs/dbraw/zinc/96/96/59/1204969659.db2.gz ASJQDBQIOKBZGA-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083402 1204969854 /nfs/dbraw/zinc/96/98/54/1204969854.db2.gz CHTFBIJBLDQMJB-ARFHVFGLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083845 1204972306 /nfs/dbraw/zinc/97/23/06/1204972306.db2.gz VMBHUVZCMQOFME-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087079288 1204989378 /nfs/dbraw/zinc/98/93/78/1204989378.db2.gz ICLNVYVWYZQMDF-SJLPKXTDSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087100994 1204997418 /nfs/dbraw/zinc/99/74/18/1204997418.db2.gz OISFTCSIHHBLLO-SQWLQELKSA-N 2 0 366.462 0.588 20 0 FCADRP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091856619 1205051766 /nfs/dbraw/zinc/05/17/66/1205051766.db2.gz VPGHNQKNKXLBSR-ALKREAHSSA-N 2 0 353.426 0.617 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CCn4cncn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953426 1205089821 /nfs/dbraw/zinc/08/98/21/1205089821.db2.gz JZWGTIRTRVAZJG-BMFAXAFESA-N 2 0 360.506 0.789 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975005 1205105920 /nfs/dbraw/zinc/10/59/20/1205105920.db2.gz BJZOABONXAJVHK-UWVAXJGDSA-N 2 0 362.518 0.729 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013444 1205113721 /nfs/dbraw/zinc/11/37/21/1205113721.db2.gz QLVIHXKYDQJAOA-MDASCCDHSA-N 2 0 368.497 0.725 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013443 1205113840 /nfs/dbraw/zinc/11/38/40/1205113840.db2.gz QLVIHXKYDQJAOA-CCKFTAQKSA-N 2 0 368.497 0.725 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220432183 1224869906 /nfs/dbraw/zinc/86/99/06/1224869906.db2.gz ZZOICUFVQPBXFF-YJBOKZPZSA-N 2 0 357.458 0.219 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431611 1224870042 /nfs/dbraw/zinc/87/00/42/1224870042.db2.gz KWGMCNRRGCFEFM-SFHLNBCPSA-N 3 0 372.513 0.593 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092205602 1205197014 /nfs/dbraw/zinc/19/70/14/1205197014.db2.gz AILUKKQOMBTTDT-LIVBEALHSA-N 2 0 371.485 0.772 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203377 1205197558 /nfs/dbraw/zinc/19/75/58/1205197558.db2.gz MOKHVYMCANSULC-GJYPPUQNSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001092275845 1205222403 /nfs/dbraw/zinc/22/24/03/1205222403.db2.gz SUEDCUAEYXWBNY-AOIWGVFYSA-N 2 0 361.490 0.120 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@]3(N)CC[NH2+]C3)nc3ccc(C)cc3n12 ZINC001220458263 1224878853 /nfs/dbraw/zinc/87/88/53/1224878853.db2.gz LWLNIDNZASMPRY-IBGZPJMESA-N 2 0 367.457 0.482 20 0 FCADRP COc1coc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)cc1=O ZINC001092509493 1205298394 /nfs/dbraw/zinc/29/83/94/1205298394.db2.gz AQRZNJLUNZGABH-IIAWOOMASA-N 2 0 363.458 0.927 20 0 FCADRP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611524 1205313782 /nfs/dbraw/zinc/31/37/82/1205313782.db2.gz ZEYQNCAODPCBDJ-QGPMSJSTSA-N 2 0 360.506 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676433 1205336364 /nfs/dbraw/zinc/33/63/64/1205336364.db2.gz YBZBIKBYYOJVQZ-KZNAEPCWSA-N 2 0 364.534 0.881 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH3+])C1 ZINC001220517260 1224900387 /nfs/dbraw/zinc/90/03/87/1224900387.db2.gz DAWLFGFIYPVLQL-VQIMIIECSA-N 2 0 372.517 0.639 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](Oc3ccccc3)C[NH2+]2)CC[NH2+]C1 ZINC001220521505 1224904602 /nfs/dbraw/zinc/90/46/02/1224904602.db2.gz HMUPSNROVQKCGX-YOEHRIQHSA-N 2 0 359.426 0.723 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])COCc2ccccc2)CC[NH2+]C1 ZINC001220521874 1224904769 /nfs/dbraw/zinc/90/47/69/1224904769.db2.gz RKPINBJKCJLENZ-OAHLLOKOSA-N 2 0 361.442 0.847 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911465 1205941432 /nfs/dbraw/zinc/94/14/32/1205941432.db2.gz RVSCWZCVDQALQS-NUJGCVRESA-N 2 0 363.506 0.713 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092919247 1205944219 /nfs/dbraw/zinc/94/42/19/1205944219.db2.gz HPLNMEHZEOTKAH-BMFZPTHFSA-N 2 0 362.474 0.870 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935438 1205962022 /nfs/dbraw/zinc/96/20/22/1205962022.db2.gz YFSCQWJBZOQILC-KBAYOESNSA-N 2 0 363.506 0.270 20 0 FCADRP CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133435 1206032863 /nfs/dbraw/zinc/03/28/63/1206032863.db2.gz FJQGKJAPBGUFLQ-ZACQAIPSSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136980 1206033521 /nfs/dbraw/zinc/03/35/21/1206033521.db2.gz GKQVGACANUEFEZ-CPUCHLNUSA-N 2 0 359.474 0.724 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001093673003 1206099619 /nfs/dbraw/zinc/09/96/19/1206099619.db2.gz HZOZSXWDGZBJKF-MCIONIFRSA-N 2 0 370.448 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093821535 1206123128 /nfs/dbraw/zinc/12/31/28/1206123128.db2.gz BBIYDXGNHPHQAK-ZIAGYGMSSA-N 2 0 361.494 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093825979 1206124372 /nfs/dbraw/zinc/12/43/72/1206124372.db2.gz UTCUMLMXWWEDJU-ZIAGYGMSSA-N 2 0 364.494 0.804 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093835993 1206128024 /nfs/dbraw/zinc/12/80/24/1206128024.db2.gz SIHIXOJGZXPMFT-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093857216 1206146202 /nfs/dbraw/zinc/14/62/02/1206146202.db2.gz VVFGTMAQWCAERM-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093919618 1206149223 /nfs/dbraw/zinc/14/92/23/1206149223.db2.gz HFKDQKRZXFPDSY-FRFSOERESA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093929773 1206152085 /nfs/dbraw/zinc/15/20/85/1206152085.db2.gz DGMBBPHWPLEADZ-YACWJRGASA-N 2 0 361.446 0.117 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001094042143 1206174494 /nfs/dbraw/zinc/17/44/94/1206174494.db2.gz LHCIXOGLWWRWEF-BZUAXINKSA-N 2 0 363.510 0.609 20 0 FCADRP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001094136946 1206190741 /nfs/dbraw/zinc/19/07/41/1206190741.db2.gz DJUGSDUBMWFXDC-UKRRQHHQSA-N 2 0 365.478 0.673 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1C ZINC001094165579 1206197891 /nfs/dbraw/zinc/19/78/91/1206197891.db2.gz RNSNNWDDUCEABS-BZUAXINKSA-N 2 0 362.522 0.903 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094165866 1206197895 /nfs/dbraw/zinc/19/78/95/1206197895.db2.gz CCEDDCUOYCQSDC-BZUAXINKSA-N 2 0 366.485 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094170810 1206198817 /nfs/dbraw/zinc/19/88/17/1206198817.db2.gz AUKMBNXBHBXYON-IIAWOOMASA-N 2 0 359.474 0.724 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1 ZINC001094224523 1206200512 /nfs/dbraw/zinc/20/05/12/1206200512.db2.gz PBXJACGEWAZNJW-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094219030 1206202823 /nfs/dbraw/zinc/20/28/23/1206202823.db2.gz BMPGXJVXUYPJKB-VNQPRFMTSA-N 2 0 360.506 0.828 20 0 FCADRP C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417353 1206224049 /nfs/dbraw/zinc/22/40/49/1206224049.db2.gz WDJORIVDWIEDDE-KVSKMBFKSA-N 2 0 363.506 0.800 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577904 1206240437 /nfs/dbraw/zinc/24/04/37/1206240437.db2.gz OWPDUUVGUWCWQB-WRWLIDTKSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172172518 1206258790 /nfs/dbraw/zinc/25/87/90/1206258790.db2.gz FIKWBLPUYCCPGL-HOTGVXAUSA-N 2 0 359.474 0.664 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]CCN(C)CC[NH3+])CC2=O)c(OC)c1 ZINC001173035139 1206265655 /nfs/dbraw/zinc/26/56/55/1206265655.db2.gz JNQCCYXCYQIISY-INIZCTEOSA-N 2 0 364.490 0.675 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC001180101560 1206389081 /nfs/dbraw/zinc/38/90/81/1206389081.db2.gz LTKQKMBVNLXXDW-UHFFFAOYSA-N 2 0 374.445 0.603 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000151678793 1206409473 /nfs/dbraw/zinc/40/94/73/1206409473.db2.gz WOPIAXUSDXWIQP-UHFFFAOYSA-N 2 0 364.494 0.716 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001182032263 1206419125 /nfs/dbraw/zinc/41/91/25/1206419125.db2.gz SYMYQYKZRCBLRF-ZWKOTPCHSA-N 2 0 374.485 0.340 20 0 FCADRP C[NH+]1CCC(O)(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CC1 ZINC001182032001 1206419266 /nfs/dbraw/zinc/41/92/66/1206419266.db2.gz ACUSXIKVDGYEFH-UHFFFAOYSA-N 2 0 362.474 0.196 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182661582 1206442047 /nfs/dbraw/zinc/44/20/47/1206442047.db2.gz OLCQFMKWKRDFQS-NUJGCVRESA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)C1 ZINC001183372734 1206452729 /nfs/dbraw/zinc/45/27/29/1206452729.db2.gz HOBUELSHQYFBPW-BETUJISGSA-N 2 0 356.430 0.984 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001184232004 1206467282 /nfs/dbraw/zinc/46/72/82/1206467282.db2.gz NDDPFRKJYHEFFN-UHFFFAOYSA-N 2 0 360.370 0.525 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000774814397 1206474744 /nfs/dbraw/zinc/47/47/44/1206474744.db2.gz HYHIZDLKTQUZNO-HOTGVXAUSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2)[NH+]1CCCC1 ZINC001273504561 1206481032 /nfs/dbraw/zinc/48/10/32/1206481032.db2.gz XUOKLEOVEPETLE-RDJZCZTQSA-N 2 0 360.502 0.626 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186383562 1206496757 /nfs/dbraw/zinc/49/67/57/1206496757.db2.gz ZHQQFJOQINQRMW-HRCADAONSA-N 2 0 366.506 0.047 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952031 1207405606 /nfs/dbraw/zinc/40/56/06/1207405606.db2.gz QPRGAAULPRKYJC-SOLBZPMBSA-N 2 0 363.506 0.752 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212019 1207434523 /nfs/dbraw/zinc/43/45/23/1207434523.db2.gz AGPQBJGYTMEFGP-RYQLBKOJSA-N 2 0 369.506 0.027 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001188673220 1207474721 /nfs/dbraw/zinc/47/47/21/1207474721.db2.gz FUQZOJOWEQRKEO-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP CCN(C(=O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188970013 1207492598 /nfs/dbraw/zinc/49/25/98/1207492598.db2.gz DRBQCWYLVILKSQ-DOTOQJQBSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126654 1207508753 /nfs/dbraw/zinc/50/87/53/1207508753.db2.gz JJFNFOMDCJKDAG-YESZJQIVSA-N 2 0 365.522 0.569 20 0 FCADRP CCOC(=O)C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cccc(O)c1 ZINC001220667934 1225001552 /nfs/dbraw/zinc/00/15/52/1225001552.db2.gz HLKWGLGOZCTYAI-SIXWZSSISA-N 2 0 361.442 0.702 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820200 1207606258 /nfs/dbraw/zinc/60/62/58/1207606258.db2.gz VVNFATPQXRHLHK-RCCFBDPRSA-N 2 0 371.522 0.131 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801728 1207609873 /nfs/dbraw/zinc/60/98/73/1207609873.db2.gz JZBRUXRDVGBGAH-RCCFBDPRSA-N 2 0 363.502 0.811 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149228 1207648899 /nfs/dbraw/zinc/64/88/99/1207648899.db2.gz VEIKPLFYWBRGBU-ARFHVFGLSA-N 2 0 365.522 0.569 20 0 FCADRP CN(CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001190466935 1207690374 /nfs/dbraw/zinc/69/03/74/1207690374.db2.gz IQDGPPKWPZAWPX-RBUKOAKNSA-N 2 0 361.486 0.660 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001193745873 1207889797 /nfs/dbraw/zinc/88/97/97/1207889797.db2.gz JHTQORMWFMGXOP-QZTJIDSGSA-N 2 0 360.502 0.898 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CCC1 ZINC001193766221 1207890873 /nfs/dbraw/zinc/89/08/73/1207890873.db2.gz PSGFBZDLKLCGPI-RCCFBDPRSA-N 2 0 361.486 0.236 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCc2c(n[nH]c2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273665710 1207893289 /nfs/dbraw/zinc/89/32/89/1207893289.db2.gz CJKQEBQFTRZFCH-UHFFFAOYSA-N 2 0 362.478 0.070 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)CC1 ZINC001193954416 1207901181 /nfs/dbraw/zinc/90/11/81/1207901181.db2.gz HLNPLZIUJWTPQK-UHFFFAOYSA-N 2 0 361.490 0.803 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1O)[NH+](C)C ZINC001194095730 1207918145 /nfs/dbraw/zinc/91/81/45/1207918145.db2.gz NDMGNSJIWAMTBN-GUDVDZBRSA-N 2 0 361.486 0.761 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194961749 1207984440 /nfs/dbraw/zinc/98/44/40/1207984440.db2.gz QGTRBGIQZADWRR-RTBURBONSA-N 2 0 363.502 0.992 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)C1CCCCC1 ZINC001194997428 1207987986 /nfs/dbraw/zinc/98/79/86/1207987986.db2.gz QVWDAIYBSMCJFJ-QZTJIDSGSA-N 2 0 363.506 0.699 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001197319376 1208152735 /nfs/dbraw/zinc/15/27/35/1208152735.db2.gz BXVXBHRGUAZCGS-BRWVUGGUSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197320095 1208153197 /nfs/dbraw/zinc/15/31/97/1208153197.db2.gz VNXQVYQOBLEVAJ-CGTJXYLNSA-N 2 0 369.506 0.075 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1O ZINC001197826396 1208201912 /nfs/dbraw/zinc/20/19/12/1208201912.db2.gz VFTFLASSZZDYJX-RTBURBONSA-N 2 0 363.502 0.749 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001197826233 1208201960 /nfs/dbraw/zinc/20/19/60/1208201960.db2.gz RQASUNODFBZQOF-RTBURBONSA-N 2 0 361.486 0.804 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001197996805 1208212404 /nfs/dbraw/zinc/21/24/04/1208212404.db2.gz HGNCUWIHHGHLMA-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661101 1208280298 /nfs/dbraw/zinc/28/02/98/1208280298.db2.gz AFVNMKKCXOPKKH-BHIYHBOVSA-N 2 0 361.486 0.959 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273790108 1208374178 /nfs/dbraw/zinc/37/41/78/1208374178.db2.gz XCPVJIKFJSEIMQ-INIZCTEOSA-N 2 0 366.506 0.299 20 0 FCADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cn(CC(N)=O)nn3)CC2)cc1 ZINC001199883146 1208374556 /nfs/dbraw/zinc/37/45/56/1208374556.db2.gz GFPHVSNUFFRRPQ-UHFFFAOYSA-N 2 0 372.473 0.774 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001691701369 1208418208 /nfs/dbraw/zinc/41/82/08/1208418208.db2.gz PKESHLBOQBPANW-KSZLIROESA-N 2 0 363.506 0.559 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001691703561 1208426448 /nfs/dbraw/zinc/42/64/48/1208426448.db2.gz HNNVCZCBLFNJTC-HYVNUMGLSA-N 2 0 363.506 0.681 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)[C@@H](c2ccccc2)C1 ZINC001201454419 1208455536 /nfs/dbraw/zinc/45/55/36/1208455536.db2.gz NWLZGYYBMSHWPQ-OTWHNJEPSA-N 2 0 361.486 0.531 20 0 FCADRP C[NH+]1CCN(c2cc(Nc3ncnc4c3ncn4CCO)cc[nH+]2)CC1 ZINC001201656758 1208462171 /nfs/dbraw/zinc/46/21/71/1208462171.db2.gz YKNMFCXIOWSMQN-UHFFFAOYSA-N 2 0 354.418 0.709 20 0 FCADRP CC(C)CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569804 1208462950 /nfs/dbraw/zinc/46/29/50/1208462950.db2.gz ZZHZTZNLAQXCAI-TVFCKZIOSA-N 2 0 362.518 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001110575619 1208482745 /nfs/dbraw/zinc/48/27/45/1208482745.db2.gz WCHNUARZYZHCAZ-FGTAOJJYSA-N 2 0 362.518 0.917 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001488982387 1208599580 /nfs/dbraw/zinc/59/95/80/1208599580.db2.gz UBFDUALTSSMPQQ-HYVNUMGLSA-N 2 0 351.495 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001489050066 1208602103 /nfs/dbraw/zinc/60/21/03/1208602103.db2.gz KXLXSJDFPWQYGD-NJAFHUGGSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220799212 1225080363 /nfs/dbraw/zinc/08/03/63/1225080363.db2.gz QZDMGOFMERERCW-SJORKVTESA-N 2 0 366.510 0.342 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2ccc3ccccc3n2)C[NH2+]C1 ZINC001220830241 1225093919 /nfs/dbraw/zinc/09/39/19/1225093919.db2.gz SSWDPNRFWXDZGJ-HNNXBMFYSA-N 2 0 354.410 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2CC)C[C@@H]1O ZINC001220830588 1225094203 /nfs/dbraw/zinc/09/42/03/1225094203.db2.gz CWFSSPGDDCABJU-BBWFWOEESA-N 2 0 368.522 0.281 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220857417 1225111446 /nfs/dbraw/zinc/11/14/46/1225111446.db2.gz AOENLJZXZQTCGB-QGZVFWFLSA-N 2 0 366.425 0.779 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)c1 ZINC001220913360 1225137069 /nfs/dbraw/zinc/13/70/69/1225137069.db2.gz QRNFBQBZNQYGFA-IRXDYDNUSA-N 2 0 360.458 0.101 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)nn1 ZINC000851631086 1209507183 /nfs/dbraw/zinc/50/71/83/1209507183.db2.gz QVXWBUUHQLPQBU-CQSZACIVSA-N 2 0 358.402 0.398 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000851665772 1209508441 /nfs/dbraw/zinc/50/84/41/1209508441.db2.gz CWDUJNOPQJNAIF-QGZVFWFLSA-N 2 0 361.490 0.535 20 0 FCADRP O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220921052 1225141161 /nfs/dbraw/zinc/14/11/61/1225141161.db2.gz XQZCWEPGKUMXNO-HZPDHXFCSA-N 2 0 357.458 0.287 20 0 FCADRP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220924597 1225143660 /nfs/dbraw/zinc/14/36/60/1225143660.db2.gz YNYSYELUAFBGSG-QGZVFWFLSA-N 2 0 374.460 0.603 20 0 FCADRP CCC[NH+]1CC[C@@H](NC(=O)C[C@H](O)CC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000856073718 1209693849 /nfs/dbraw/zinc/69/38/49/1209693849.db2.gz VZVDUKKEJYZLQQ-FVQHAEBGSA-N 2 0 368.522 0.329 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000861541091 1209870549 /nfs/dbraw/zinc/87/05/49/1209870549.db2.gz VINBEGKYRLBGNS-HNNXBMFYSA-N 2 0 373.501 0.963 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000861732827 1209877968 /nfs/dbraw/zinc/87/79/68/1209877968.db2.gz MBCKQFKNXVAXKU-YOEHRIQHSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000861745477 1209878901 /nfs/dbraw/zinc/87/89/01/1209878901.db2.gz MKDOGDDMYTXPSG-DOTOQJQBSA-N 2 0 362.474 0.199 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000861771024 1209881372 /nfs/dbraw/zinc/88/13/72/1209881372.db2.gz SNICMKLAXOVBBU-AWEZNQCLSA-N 2 0 362.474 0.065 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCCC(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000861910721 1209887883 /nfs/dbraw/zinc/88/78/83/1209887883.db2.gz VDRKCDANUOSCPM-WGVHXZFPSA-N 2 0 362.518 0.584 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220985869 1225175089 /nfs/dbraw/zinc/17/50/89/1225175089.db2.gz IBIIHHCQQIPADP-NXHRZFHOSA-N 2 0 365.518 0.696 20 0 FCADRP O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000866723165 1210005476 /nfs/dbraw/zinc/00/54/76/1210005476.db2.gz BPQCMKONWHVZKR-ZWKOTPCHSA-N 2 0 364.534 0.964 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302340 1210050684 /nfs/dbraw/zinc/05/06/84/1210050684.db2.gz HRSQTJSKEMLOJE-GASCZTMLSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cn1 ZINC000873101144 1210233439 /nfs/dbraw/zinc/23/34/39/1210233439.db2.gz AFHZOIFJANPLSK-MRXNPFEDSA-N 2 0 370.457 0.214 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072508 1225210229 /nfs/dbraw/zinc/21/02/29/1225210229.db2.gz GHQDNGNUDCDHLD-YRIWUQCMSA-N 2 0 369.506 0.404 20 0 FCADRP O=C(NCc1ccc(OCC2CCOCC2)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221078502 1225211978 /nfs/dbraw/zinc/21/19/78/1225211978.db2.gz IHZIXPPCSCNYQK-GOSISDBHSA-N 2 0 359.470 0.917 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000877199659 1210439381 /nfs/dbraw/zinc/43/93/81/1210439381.db2.gz ZKGCSJNMKANCPO-NWDGAFQWSA-N 2 0 371.363 0.744 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000877199661 1210439392 /nfs/dbraw/zinc/43/93/92/1210439392.db2.gz ZKGCSJNMKANCPO-VXGBXAGGSA-N 2 0 371.363 0.744 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001221081493 1225213770 /nfs/dbraw/zinc/21/37/70/1225213770.db2.gz ORPRKZINWXWCES-QRVBRYPASA-N 2 0 361.486 0.757 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2)c1 ZINC001221092189 1225218861 /nfs/dbraw/zinc/21/88/61/1225218861.db2.gz SBCJUIQQAYJHSF-OAHLLOKOSA-N 2 0 363.462 0.247 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)c1cnc2n1CC[NH2+]CC2 ZINC001221117807 1225227920 /nfs/dbraw/zinc/22/79/20/1225227920.db2.gz CUGDOKDCTCXTRM-UHFFFAOYSA-N 2 0 354.458 0.475 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221115855 1225228186 /nfs/dbraw/zinc/22/81/86/1225228186.db2.gz ANAKMWCQGLYBBQ-INIZCTEOSA-N 2 0 361.490 0.453 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332198 1210662356 /nfs/dbraw/zinc/66/23/56/1210662356.db2.gz PPPXUNYPICOUKK-ROUUACIJSA-N 2 0 366.506 0.792 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332199 1210662773 /nfs/dbraw/zinc/66/27/73/1210662773.db2.gz PPPXUNYPICOUKK-ZWKOTPCHSA-N 2 0 366.506 0.792 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883587018 1210672365 /nfs/dbraw/zinc/67/23/65/1210672365.db2.gz XVKUDDDKOGRHMO-LJQANCHMSA-N 2 0 372.517 0.998 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000883604644 1210673424 /nfs/dbraw/zinc/67/34/24/1210673424.db2.gz BMMCECOVLFJLJI-RDJZCZTQSA-N 2 0 357.458 0.388 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883604931 1210673496 /nfs/dbraw/zinc/67/34/96/1210673496.db2.gz HPQBAYKKIMENTC-GOSISDBHSA-N 2 0 371.485 0.778 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604242 1210673707 /nfs/dbraw/zinc/67/37/07/1210673707.db2.gz QWKLBDYPFSEUEU-QAPCUYQASA-N 2 0 371.485 0.859 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883608984 1210674106 /nfs/dbraw/zinc/67/41/06/1210674106.db2.gz LSFTYZRWDHGTJZ-RHSMWYFYSA-N 2 0 359.474 0.763 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000883607564 1210674397 /nfs/dbraw/zinc/67/43/97/1210674397.db2.gz ZAEFONWNOPPSHM-KRWDZBQOSA-N 2 0 371.485 0.907 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883607481 1210674556 /nfs/dbraw/zinc/67/45/56/1210674556.db2.gz WOQGXRVXGGUIHJ-KRWDZBQOSA-N 2 0 359.474 0.587 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883638608 1210677091 /nfs/dbraw/zinc/67/70/91/1210677091.db2.gz RGWNZCQYWFAXAU-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1c1cc[nH+]cc1 ZINC000883642884 1210678251 /nfs/dbraw/zinc/67/82/51/1210678251.db2.gz XFCRIUYUXDGYSV-RYGJVYDSSA-N 2 0 371.485 0.577 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883641915 1210678352 /nfs/dbraw/zinc/67/83/52/1210678352.db2.gz ZHBPASLKALKFAZ-VCBZYWHSSA-N 2 0 357.458 0.459 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001221124175 1225230314 /nfs/dbraw/zinc/23/03/14/1225230314.db2.gz YUSUQACBWBSZFL-GOSISDBHSA-N 2 0 357.502 0.850 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CCN1c1cc[nH+]cc1 ZINC000883660509 1210682377 /nfs/dbraw/zinc/68/23/77/1210682377.db2.gz MGJMABRFEODJBZ-MRXNPFEDSA-N 2 0 371.485 0.863 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000884016679 1210709930 /nfs/dbraw/zinc/70/99/30/1210709930.db2.gz BSYIZKGIDAMRTH-QGZVFWFLSA-N 2 0 374.485 0.569 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000884016678 1210710194 /nfs/dbraw/zinc/71/01/94/1210710194.db2.gz BSYIZKGIDAMRTH-KRWDZBQOSA-N 2 0 374.485 0.569 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234211 1210724709 /nfs/dbraw/zinc/72/47/09/1210724709.db2.gz MAERPXISGAEBMS-INIZCTEOSA-N 2 0 360.506 0.247 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000884229782 1210724735 /nfs/dbraw/zinc/72/47/35/1210724735.db2.gz AEWAWIOPSPMFLH-INIZCTEOSA-N 2 0 359.474 0.286 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000884340522 1210731183 /nfs/dbraw/zinc/73/11/83/1210731183.db2.gz KIBZVOKCUFLCHZ-HNNXBMFYSA-N 2 0 358.446 0.812 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884509321 1210741393 /nfs/dbraw/zinc/74/13/93/1210741393.db2.gz CNVQNURGKAXWCC-RHSMWYFYSA-N 2 0 359.474 0.673 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000884517564 1210742886 /nfs/dbraw/zinc/74/28/86/1210742886.db2.gz QTZYMTMZHZPJPX-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516723 1210743315 /nfs/dbraw/zinc/74/33/15/1210743315.db2.gz RMELFADSPQWYPE-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000884553610 1210749224 /nfs/dbraw/zinc/74/92/24/1210749224.db2.gz CQIBPKSHKGAIFW-HYVNUMGLSA-N 2 0 358.486 0.804 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572913 1210754379 /nfs/dbraw/zinc/75/43/79/1210754379.db2.gz YUUGYHZXZCLJQE-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572257 1210754838 /nfs/dbraw/zinc/75/48/38/1210754838.db2.gz JOOJOUISWVLCSW-DKIMLUQUSA-N 2 0 356.470 0.586 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000884577103 1210755460 /nfs/dbraw/zinc/75/54/60/1210755460.db2.gz XVUDNOBDQGIBKT-YESZJQIVSA-N 2 0 362.449 0.898 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577433 1210755522 /nfs/dbraw/zinc/75/55/22/1210755522.db2.gz FFQQPFFSGGHYMY-JKSUJKDBSA-N 2 0 366.506 0.252 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884603352 1210760973 /nfs/dbraw/zinc/76/09/73/1210760973.db2.gz HWQNGNPKKXNMLD-QFBILLFUSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631627 1210767946 /nfs/dbraw/zinc/76/79/46/1210767946.db2.gz QOIZAUDDAOCCEP-QZTJIDSGSA-N 2 0 356.470 0.418 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884637517 1210769646 /nfs/dbraw/zinc/76/96/46/1210769646.db2.gz RAFFKNPJOFELLE-UHFFFAOYSA-N 2 0 362.474 0.033 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000884639710 1210769711 /nfs/dbraw/zinc/76/97/11/1210769711.db2.gz HQNMKCZBRMGQMG-UHFFFAOYSA-N 2 0 366.506 0.478 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000884649450 1210772327 /nfs/dbraw/zinc/77/23/27/1210772327.db2.gz DBHWCFAHZYHQIN-MJGOQNOKSA-N 2 0 370.497 0.950 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884646792 1210772475 /nfs/dbraw/zinc/77/24/75/1210772475.db2.gz GOZRXEMQEATJMB-WMLDXEAASA-N 2 0 374.485 0.208 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CCCC2)CC1 ZINC000884656792 1210773882 /nfs/dbraw/zinc/77/38/82/1210773882.db2.gz ULUYPADHIOFTOO-CABCVRRESA-N 2 0 366.506 0.474 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670430 1210775445 /nfs/dbraw/zinc/77/54/45/1210775445.db2.gz ZPIOWPOJADEKDH-OKZBNKHCSA-N 2 0 356.470 0.560 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669650 1210776078 /nfs/dbraw/zinc/77/60/78/1210776078.db2.gz CDWVOKUCFJDFAN-QZTJIDSGSA-N 2 0 356.470 0.692 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000884675476 1210777631 /nfs/dbraw/zinc/77/76/31/1210777631.db2.gz FFKLVBVIWLWNIP-KRWDZBQOSA-N 2 0 362.474 0.038 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000884677279 1210778143 /nfs/dbraw/zinc/77/81/43/1210778143.db2.gz NVHHVXDMWLEVBC-UHFFFAOYSA-N 2 0 367.538 0.122 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884701875 1210783008 /nfs/dbraw/zinc/78/30/08/1210783008.db2.gz QQVINMKQJVEBAI-KBAYOESNSA-N 2 0 360.502 0.970 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000884697898 1210783441 /nfs/dbraw/zinc/78/34/41/1210783441.db2.gz GNHZWWXZPSYYAN-NVXWUHKLSA-N 2 0 362.474 0.023 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000884712363 1210785859 /nfs/dbraw/zinc/78/58/59/1210785859.db2.gz PCJHBKIVKFDLEP-HNAYVOBHSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000884710619 1210786442 /nfs/dbraw/zinc/78/64/42/1210786442.db2.gz OQTAGMUYDOHYEK-OAHLLOKOSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884719307 1210787488 /nfs/dbraw/zinc/78/74/88/1210787488.db2.gz HTVXZWJEOXCLET-OGWHTMIXSA-N 2 0 372.513 0.985 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000884718192 1210787918 /nfs/dbraw/zinc/78/79/18/1210787918.db2.gz WVSRWQBOWMWAPY-SZMVWBNQSA-N 2 0 358.486 0.942 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884726661 1210790579 /nfs/dbraw/zinc/79/05/79/1210790579.db2.gz ZEEBCCZYEGBRFU-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884727134 1210790680 /nfs/dbraw/zinc/79/06/80/1210790680.db2.gz MMDDFWZVFBBMEI-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000884726862 1210790889 /nfs/dbraw/zinc/79/08/89/1210790889.db2.gz DYDMWKNGQBGEKY-WCXIOVBPSA-N 2 0 371.485 0.623 20 0 FCADRP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221151540 1225240874 /nfs/dbraw/zinc/24/08/74/1225240874.db2.gz IDRKGLXRDJEMKC-HNNXBMFYSA-N 2 0 357.458 0.414 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884728220 1210791161 /nfs/dbraw/zinc/79/11/61/1210791161.db2.gz LFUKMRMWIKTRQL-UHFFFAOYSA-N 2 0 358.486 0.938 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000884727861 1210791757 /nfs/dbraw/zinc/79/17/57/1210791757.db2.gz CDWDPSYIMLROLE-LXPRWKDFSA-N 2 0 358.486 0.806 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000884787207 1210795590 /nfs/dbraw/zinc/79/55/90/1210795590.db2.gz KLMXMPHNGWJIFW-CVEARBPZSA-N 2 0 366.506 0.250 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000884787208 1210796330 /nfs/dbraw/zinc/79/63/30/1210796330.db2.gz KLMXMPHNGWJIFW-HOTGVXAUSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884797182 1210796707 /nfs/dbraw/zinc/79/67/07/1210796707.db2.gz QIPZQCYTPQKRMO-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833034 1210799636 /nfs/dbraw/zinc/79/96/36/1210799636.db2.gz FIKFFAQDCCXLMM-BQSYYEAHSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833002 1210799782 /nfs/dbraw/zinc/79/97/82/1210799782.db2.gz DVGQQFNNXRDSRA-AITUJVMLSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824556 1210799930 /nfs/dbraw/zinc/79/99/30/1210799930.db2.gz ACEJUJOMNDMRCN-CYGHRXIMSA-N 2 0 358.486 0.737 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878573 1210802628 /nfs/dbraw/zinc/80/26/28/1210802628.db2.gz ALSQXMXGIVZIBT-XHSDSOJGSA-N 2 0 368.522 0.496 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884886697 1210802777 /nfs/dbraw/zinc/80/27/77/1210802777.db2.gz ONQRCIVICDIWCO-QZTJIDSGSA-N 2 0 360.502 0.863 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884886699 1210802906 /nfs/dbraw/zinc/80/29/06/1210802906.db2.gz ONQRCIVICDIWCO-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000884895788 1210803143 /nfs/dbraw/zinc/80/31/43/1210803143.db2.gz NJLXRUNAJTYVIJ-SQNIBIBYSA-N 2 0 358.486 0.615 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968816 1210805744 /nfs/dbraw/zinc/80/57/44/1210805744.db2.gz VODRBBPBOQECAE-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000884983171 1210807025 /nfs/dbraw/zinc/80/70/25/1210807025.db2.gz ODTCHCOSOMSRGD-FGTMMUONSA-N 2 0 356.470 0.363 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983407 1210807199 /nfs/dbraw/zinc/80/71/99/1210807199.db2.gz QWIDVRPBSZTWOL-ZWKOTPCHSA-N 2 0 358.486 0.753 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000885012807 1210808112 /nfs/dbraw/zinc/80/81/12/1210808112.db2.gz NZOSILGYYXPOAS-OWLYRPNTSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141609 1210812065 /nfs/dbraw/zinc/81/20/65/1210812065.db2.gz OQMNCRBLUXVAPX-INIZCTEOSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000885140940 1210812163 /nfs/dbraw/zinc/81/21/63/1210812163.db2.gz CSVXILUSHAJHMW-OWCLPIDISA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141328 1210812285 /nfs/dbraw/zinc/81/22/85/1210812285.db2.gz LWYXMRHCZNGGRN-JKSUJKDBSA-N 2 0 366.506 0.062 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000887004295 1210842388 /nfs/dbraw/zinc/84/23/88/1210842388.db2.gz KYJZIVYBKIIWTD-HNNXBMFYSA-N 2 0 362.478 0.689 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000887039497 1210843414 /nfs/dbraw/zinc/84/34/14/1210843414.db2.gz LXDLJOHAKJJYQL-GOSISDBHSA-N 2 0 362.478 0.375 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887062953 1210844567 /nfs/dbraw/zinc/84/45/67/1210844567.db2.gz KUUDUMIVVHFIRE-IPMKNSEASA-N 2 0 370.497 0.917 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000887064890 1210844696 /nfs/dbraw/zinc/84/46/96/1210844696.db2.gz RBVBTKHWOVFMRP-KDURUIRLSA-N 2 0 362.518 0.921 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068940 1210845519 /nfs/dbraw/zinc/84/55/19/1210845519.db2.gz VANKTVXZENGUIW-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887070911 1210845975 /nfs/dbraw/zinc/84/59/75/1210845975.db2.gz VYZDENCUPCMHKI-RBUKOAKNSA-N 2 0 372.513 0.972 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887091494 1210847070 /nfs/dbraw/zinc/84/70/70/1210847070.db2.gz MHOCWHZEWLUEAS-WBVHZDCISA-N 2 0 361.490 0.951 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000887091360 1210847108 /nfs/dbraw/zinc/84/71/08/1210847108.db2.gz INNRZKXLLNJVET-OWCLPIDISA-N 2 0 359.474 0.562 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001274195848 1210909252 /nfs/dbraw/zinc/90/92/52/1210909252.db2.gz VZFNKUOCOJWLDJ-RDJZCZTQSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCC3(C[NH+](CCn4ccnc4)C3)CC2)CC1 ZINC001274204312 1210912271 /nfs/dbraw/zinc/91/22/71/1210912271.db2.gz SYLUOCLQESIUKE-UHFFFAOYSA-N 2 0 361.490 0.264 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750724 1210946946 /nfs/dbraw/zinc/94/69/46/1210946946.db2.gz OBJDMPNSFAAIRF-RTBURBONSA-N 2 0 366.550 0.850 20 0 FCADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000889754359 1210947371 /nfs/dbraw/zinc/94/73/71/1210947371.db2.gz OWWSIOOXYBQQDK-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000889805653 1210954713 /nfs/dbraw/zinc/95/47/13/1210954713.db2.gz QVYVZHLHXOMPLF-CRAIPNDOSA-N 2 0 373.501 0.976 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890137333 1210968418 /nfs/dbraw/zinc/96/84/18/1210968418.db2.gz CMCLZKSIOHJUIW-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001274396168 1211044933 /nfs/dbraw/zinc/04/49/33/1211044933.db2.gz AEVDPSSMJGTVAF-OKZBNKHCSA-N 2 0 361.490 0.525 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001274396166 1211045005 /nfs/dbraw/zinc/04/50/05/1211045005.db2.gz AEVDPSSMJGTVAF-KURKYZTESA-N 2 0 361.490 0.525 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001274720295 1211108461 /nfs/dbraw/zinc/10/84/61/1211108461.db2.gz SWBHZZOMMHAQLO-SOUVJXGZSA-N 2 0 364.494 0.523 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184065 1225258457 /nfs/dbraw/zinc/25/84/57/1225258457.db2.gz QSCSWTXWCYCVHL-TVFCKZIOSA-N 2 0 374.485 0.761 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)CC1 ZINC001274953537 1211152067 /nfs/dbraw/zinc/15/20/67/1211152067.db2.gz QHMCGKIMAWSJML-GVDBMIGSSA-N 2 0 360.502 0.624 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](CCC(C)(C)C)C3)CC1 ZINC001275126376 1211176696 /nfs/dbraw/zinc/17/66/96/1211176696.db2.gz FBAROXQQYFOSQG-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@@]2(CN(C)CCO2)C1 ZINC001275154888 1211183217 /nfs/dbraw/zinc/18/32/17/1211183217.db2.gz MEPFXDGSDVZMFZ-AZUAARDMSA-N 2 0 361.486 0.803 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275171647 1211187968 /nfs/dbraw/zinc/18/79/68/1211187968.db2.gz LHIHKQMYAFLTCR-UHOSZYNNSA-N 2 0 360.506 0.707 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337608 1211218043 /nfs/dbraw/zinc/21/80/43/1211218043.db2.gz SVFOPFBXPHYBBU-IBGZPJMESA-N 2 0 361.490 0.737 20 0 FCADRP CCc1nccc(CN2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275454432 1211241140 /nfs/dbraw/zinc/24/11/40/1211241140.db2.gz WXHROTPQIMTMGY-IBGZPJMESA-N 2 0 361.490 0.652 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccn4ccnc4c3)C2)OCC1=O ZINC001275456800 1211243154 /nfs/dbraw/zinc/24/31/54/1211243154.db2.gz KXEZVJODJQVAGE-IBGZPJMESA-N 2 0 357.458 0.699 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507857 1211252290 /nfs/dbraw/zinc/25/22/90/1211252290.db2.gz KXAAVQUDZDTVOC-LIRRHRJNSA-N 2 0 366.506 0.679 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555924 1211255882 /nfs/dbraw/zinc/25/58/82/1211255882.db2.gz DTFRYERJBIQJDQ-LJQANCHMSA-N 2 0 364.490 0.305 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556006 1211255955 /nfs/dbraw/zinc/25/59/55/1211255955.db2.gz GLMSRAUYAITNSY-HNAYVOBHSA-N 2 0 364.490 0.433 20 0 FCADRP Cn1cnnc1CNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001275556868 1211256347 /nfs/dbraw/zinc/25/63/47/1211256347.db2.gz PEWRQFPELPYVAE-MRXNPFEDSA-N 2 0 360.506 0.875 20 0 FCADRP O=C1CC[C@@H](CN2CC[C@@]3(CCC[N@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737637 1211278713 /nfs/dbraw/zinc/27/87/13/1211278713.db2.gz MTTHSEMHRJDNGB-PXNSSMCTSA-N 2 0 362.518 0.969 20 0 FCADRP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737573 1211278905 /nfs/dbraw/zinc/27/89/05/1211278905.db2.gz LNRDOTCZKBRFMV-LIRRHRJNSA-N 2 0 365.474 0.779 20 0 FCADRP O=C1C[C@]2(CN1CCn1ccnc1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738409 1211279277 /nfs/dbraw/zinc/27/92/77/1211279277.db2.gz YHSUVDACGMTIRB-IBGZPJMESA-N 2 0 361.490 0.434 20 0 FCADRP O=C1C[C@@]2(CN1CCN1CCOCC1)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275738092 1211279294 /nfs/dbraw/zinc/27/92/94/1211279294.db2.gz UOLRNLIZVOVQPQ-HXUWFJFHSA-N 2 0 364.534 0.775 20 0 FCADRP O=C1CC[C@H](CN2CC[C@]3(CCC[N@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737640 1211279360 /nfs/dbraw/zinc/27/93/60/1211279360.db2.gz MTTHSEMHRJDNGB-YLJYHZDGSA-N 2 0 362.518 0.969 20 0 FCADRP CCNC(=O)CN1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743400 1211280266 /nfs/dbraw/zinc/28/02/66/1211280266.db2.gz QMJJIRAJRULDDD-IBGZPJMESA-N 2 0 366.506 0.158 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245892 1225280203 /nfs/dbraw/zinc/28/02/03/1225280203.db2.gz HINMSNUDKDGRFV-HNAYVOBHSA-N 2 0 374.489 0.352 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN(CC(OC)OC)C(=O)CO3)CC1 ZINC001275877588 1211303673 /nfs/dbraw/zinc/30/36/73/1211303673.db2.gz DDPDRJSWPZPISM-IBGZPJMESA-N 2 0 369.506 0.641 20 0 FCADRP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001275877954 1211304053 /nfs/dbraw/zinc/30/40/53/1211304053.db2.gz IKCHZMOVZPIKTH-VQHPVUNQSA-N 2 0 367.490 0.582 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(CCN(Cc4nncn4C)C3=O)C2)CC1 ZINC001275880608 1211304793 /nfs/dbraw/zinc/30/47/93/1211304793.db2.gz VAALXITWAAOPMU-IBGZPJMESA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(COCc3ccccc3)cn2)C1 ZINC001221239631 1225277482 /nfs/dbraw/zinc/27/74/82/1225277482.db2.gz QDTXGRNCQDDKJD-JENIJYKNSA-N 2 0 357.458 0.923 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(Cc3cn4ccncc4n3)C2)OCC1=O ZINC001275956679 1211317068 /nfs/dbraw/zinc/31/70/68/1211317068.db2.gz KOBRNRGGBWMMKS-GOSISDBHSA-N 2 0 358.446 0.094 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371304406 1211335331 /nfs/dbraw/zinc/33/53/31/1211335331.db2.gz SZDGAGWQIYGIIH-SQNIBIBYSA-N 2 0 367.538 0.375 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+](C)C ZINC001276049826 1211340500 /nfs/dbraw/zinc/34/05/00/1211340500.db2.gz SYNHNWSKFCBNAW-WRWLIDTKSA-N 2 0 364.534 0.974 20 0 FCADRP COC(=O)c1cnc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001276112325 1211358258 /nfs/dbraw/zinc/35/82/58/1211358258.db2.gz SRMYSZGPHMHCMW-SFHVURJKSA-N 2 0 361.446 0.249 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3cc4c(cn3)OCCO4)C2)C1=O ZINC001276233237 1211385800 /nfs/dbraw/zinc/38/58/00/1211385800.db2.gz INFAWOYAMICYRB-LJQANCHMSA-N 2 0 360.458 0.839 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001095525490 1211395158 /nfs/dbraw/zinc/39/51/58/1211395158.db2.gz SVBHCLULYVLYMA-BDXSIMOUSA-N 2 0 360.506 0.978 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001095525491 1211395429 /nfs/dbraw/zinc/39/54/29/1211395429.db2.gz SVBHCLULYVLYMA-MHORFTMASA-N 2 0 360.506 0.978 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001095685527 1211447268 /nfs/dbraw/zinc/44/72/68/1211447268.db2.gz KTABDWUEEXUSMD-OWSLCNJRSA-N 2 0 373.501 0.594 20 0 FCADRP CC(C)[C@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCN(C)CC1 ZINC000924457088 1211470250 /nfs/dbraw/zinc/47/02/50/1211470250.db2.gz PIBISLPDWDWJGH-SJORKVTESA-N 2 0 365.522 0.665 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634470 1211475717 /nfs/dbraw/zinc/47/57/17/1211475717.db2.gz NZLWSBPEHCJKBL-SJORKVTESA-N 2 0 363.506 0.561 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777559 1211480710 /nfs/dbraw/zinc/48/07/10/1211480710.db2.gz QLUCUVCFYZMIBK-IRXDYDNUSA-N 2 0 360.458 0.760 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000925556178 1211502419 /nfs/dbraw/zinc/50/24/19/1211502419.db2.gz IJOMNEMXQLQXPI-SFYZZRBRSA-N 2 0 358.490 0.621 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925634591 1211505476 /nfs/dbraw/zinc/50/54/76/1211505476.db2.gz OTOIBTTWTUGOED-GNVSMLMZSA-N 2 0 356.514 0.862 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926296464 1211527837 /nfs/dbraw/zinc/52/78/37/1211527837.db2.gz DZOBCQCHKKSVLE-SFHVURJKSA-N 2 0 360.502 0.817 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926301874 1211528466 /nfs/dbraw/zinc/52/84/66/1211528466.db2.gz ZXPPMKMPRQMMMQ-HNNXBMFYSA-N 2 0 364.465 0.913 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926368895 1211540406 /nfs/dbraw/zinc/54/04/06/1211540406.db2.gz YCMYERRFLSYHBD-CUSZFKRNSA-N 2 0 360.502 0.530 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637980 1211577671 /nfs/dbraw/zinc/57/76/71/1211577671.db2.gz KGJOUUSWWHQMBJ-KRWDZBQOSA-N 2 0 368.522 0.992 20 0 FCADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC[NH3+] ZINC001221344900 1225301552 /nfs/dbraw/zinc/30/15/52/1225301552.db2.gz HLHWBMQUMKBQRU-MRXNPFEDSA-N 2 0 359.474 0.788 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)CN(CC(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1 ZINC000928556292 1211604368 /nfs/dbraw/zinc/60/43/68/1211604368.db2.gz PCDWBFUXQBTQNB-HDICACEKSA-N 2 0 373.501 0.134 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001110956371 1211614826 /nfs/dbraw/zinc/61/48/26/1211614826.db2.gz FXVAPLWYBLQJCP-TWMKSMIVSA-N 2 0 361.490 0.307 20 0 FCADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221373839 1225304226 /nfs/dbraw/zinc/30/42/26/1225304226.db2.gz PGJGWXCZXODKRX-HOTGVXAUSA-N 3 0 369.554 0.848 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976430 1211653712 /nfs/dbraw/zinc/65/37/12/1211653712.db2.gz LSLIXQWUQUAGEA-KURKYZTESA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221398307 1225306041 /nfs/dbraw/zinc/30/60/41/1225306041.db2.gz XCRKBBGRCQALPY-BZSNNMDCSA-N 2 0 356.470 0.560 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)c1 ZINC001221406941 1225307457 /nfs/dbraw/zinc/30/74/57/1225307457.db2.gz VQTZFCBZKRHDSM-HZPDHXFCSA-N 2 0 370.457 0.354 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001221414736 1225307836 /nfs/dbraw/zinc/30/78/36/1225307836.db2.gz SFWQRHSHBDQKMN-RCCFBDPRSA-N 2 0 354.454 0.603 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000931608730 1211763194 /nfs/dbraw/zinc/76/31/94/1211763194.db2.gz STLUSKAHEXWKFS-KRWDZBQOSA-N 2 0 359.474 0.851 20 0 FCADRP C[C@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031332 1211809328 /nfs/dbraw/zinc/80/93/28/1211809328.db2.gz SPDLMJRPSLQUTH-SYQHCUMBSA-N 2 0 367.494 0.269 20 0 FCADRP CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111038502 1211816425 /nfs/dbraw/zinc/81/64/25/1211816425.db2.gz CKUHYVJCOZCBGQ-VQHPVUNQSA-N 2 0 366.506 0.345 20 0 FCADRP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935365660 1211876739 /nfs/dbraw/zinc/87/67/39/1211876739.db2.gz KBTIIRJHLLPJGO-ULQDDVLXSA-N 2 0 368.522 0.325 20 0 FCADRP C[C@@H](NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111281354 1212233246 /nfs/dbraw/zinc/23/32/46/1212233246.db2.gz OKPYJZOFBJWPEZ-DZUCGIPZSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000949210663 1212326114 /nfs/dbraw/zinc/32/61/14/1212326114.db2.gz IULDDGONXXJVFW-SUMDDJOVSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000949943677 1212490177 /nfs/dbraw/zinc/49/01/77/1212490177.db2.gz PHHUUNCJLMPRLA-HYVNUMGLSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000950704410 1212633835 /nfs/dbraw/zinc/63/38/35/1212633835.db2.gz DTBOUMMZILQRGW-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221616535 1225400011 /nfs/dbraw/zinc/40/00/11/1225400011.db2.gz OMJWWPWXVJKZCE-NZSAHSFTSA-N 2 0 365.518 0.935 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001009448734 1212851548 /nfs/dbraw/zinc/85/15/48/1212851548.db2.gz OFYDPICCYYFTLP-XLSPSMHOSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824108 1225416874 /nfs/dbraw/zinc/41/68/74/1225416874.db2.gz LQRGBHFUVVUJJY-QUCCMNQESA-N 2 0 366.550 0.708 20 0 FCADRP NC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415332 1213012717 /nfs/dbraw/zinc/01/27/17/1213012717.db2.gz NNHMUAKZRZFLSJ-KFWWJZLASA-N 2 0 365.478 0.169 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954408833 1213069981 /nfs/dbraw/zinc/06/99/81/1213069981.db2.gz TUEGLGVSLFQHBE-SOLBZPMBSA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000957166317 1213272410 /nfs/dbraw/zinc/27/24/10/1213272410.db2.gz MIAJOSXQBKPLEL-SPYBWZPUSA-N 2 0 359.474 0.962 20 0 FCADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)[C@@H]1CCNC1=O ZINC000957726605 1213352339 /nfs/dbraw/zinc/35/23/39/1213352339.db2.gz WAAHGMAHZHHKKR-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCCOC)CC2 ZINC001276316812 1213403154 /nfs/dbraw/zinc/40/31/54/1213403154.db2.gz ZZYSYHOFGNKMOH-INIZCTEOSA-N 2 0 369.506 0.688 20 0 FCADRP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC1CCC3(CC1)OCCO3)C2 ZINC001276332596 1213416112 /nfs/dbraw/zinc/41/61/12/1213416112.db2.gz XCEUOJAYIFNRNX-UHFFFAOYSA-N 2 0 367.490 0.395 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCn2cncn2)CC[N@@H+]1C ZINC000960270095 1213688254 /nfs/dbraw/zinc/68/82/54/1213688254.db2.gz ZKBSTBXKIKLUAI-YCEFEEMOSA-N 2 0 368.485 0.990 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960415335 1213747743 /nfs/dbraw/zinc/74/77/43/1213747743.db2.gz KQPCYYYHMHMQOL-YESZJQIVSA-N 2 0 364.490 0.005 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21)[NH+](C)C ZINC000960569464 1213823755 /nfs/dbraw/zinc/82/37/55/1213823755.db2.gz CBAVLJAWBARGCB-IXDOHACOSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)CC1 ZINC001016625288 1214024088 /nfs/dbraw/zinc/02/40/88/1214024088.db2.gz GKAYSMLXTZGHQX-SQNIBIBYSA-N 2 0 365.518 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001017488017 1214101811 /nfs/dbraw/zinc/10/18/11/1214101811.db2.gz YHZPIRWODGRMEG-KBAYOESNSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC001017587023 1214120505 /nfs/dbraw/zinc/12/05/05/1214120505.db2.gz MJJUCDREBYAKRM-NVXWUHKLSA-N 2 0 360.502 0.697 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+](C)C4CCC4)C3)C2)CC[N@@H+]1C ZINC001019121800 1214199259 /nfs/dbraw/zinc/19/92/59/1214199259.db2.gz KNFHGLUOBYWHGN-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cc2ncc[nH]2)CC[N@@H+]1C ZINC000963153945 1214752687 /nfs/dbraw/zinc/75/26/87/1214752687.db2.gz NKQADTXTMAKAHX-KLHDSHLOSA-N 2 0 359.474 0.884 20 0 FCADRP CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221947169 1225547598 /nfs/dbraw/zinc/54/75/98/1225547598.db2.gz WDJUTBNCABBGPW-QZTJIDSGSA-N 2 0 363.506 0.556 20 0 FCADRP CC(C)(C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+]1CCCCC1 ZINC000963473778 1214813124 /nfs/dbraw/zinc/81/31/24/1214813124.db2.gz OEDSMLYLCKRFID-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC000963830148 1214860425 /nfs/dbraw/zinc/86/04/25/1214860425.db2.gz KVJDDKYGNXALLW-WDEIXPSFSA-N 2 0 362.474 0.149 20 0 FCADRP O=C1CN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001222521281 1225630340 /nfs/dbraw/zinc/63/03/40/1225630340.db2.gz OVEMNNFRBIFWCC-UHFFFAOYSA-N 2 0 353.470 0.799 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC001055652678 1215900441 /nfs/dbraw/zinc/90/04/41/1215900441.db2.gz JGGBDGIXRHNVIR-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055652925 1215901055 /nfs/dbraw/zinc/90/10/55/1215901055.db2.gz TURDQCFQKOVFOW-NVXWUHKLSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCOC2)cn1 ZINC001098013643 1215925399 /nfs/dbraw/zinc/92/53/99/1215925399.db2.gz ZNPFHDXAIUHMRP-DDBAPUKQSA-N 2 0 361.490 0.816 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001055966833 1215929772 /nfs/dbraw/zinc/92/97/72/1215929772.db2.gz KWDADLUFNIOWEX-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693849 1225646044 /nfs/dbraw/zinc/64/60/44/1225646044.db2.gz DPNXUZCUNWLQDN-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](Cc3ccn(C)c(=O)c3)CC2)CC[N@@H+]1C ZINC001000700723 1216108190 /nfs/dbraw/zinc/10/81/90/1216108190.db2.gz VEUBWGCNKBSLBM-CRAIPNDOSA-N 2 0 358.486 0.974 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001001408316 1216191269 /nfs/dbraw/zinc/19/12/69/1216191269.db2.gz HIBNBTMWZNJQHR-LZQZEXGQSA-N 2 0 367.534 0.942 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC001050525153 1216331506 /nfs/dbraw/zinc/33/15/06/1216331506.db2.gz SUMDFAKFYOSSQZ-HZPDHXFCSA-N 2 0 363.506 0.276 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001051623587 1216467672 /nfs/dbraw/zinc/46/76/72/1216467672.db2.gz HPJTZLBCLIDFLG-ATZDWAIDSA-N 2 0 361.486 0.836 20 0 FCADRP COc1ncccc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051625252 1216469715 /nfs/dbraw/zinc/46/97/15/1216469715.db2.gz XLFMZDPNCFCIGY-HYVNUMGLSA-N 2 0 362.474 0.747 20 0 FCADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001057739312 1216530532 /nfs/dbraw/zinc/53/05/32/1216530532.db2.gz UVJKOOMBQCIUSH-ZACQAIPSSA-N 2 0 370.538 0.384 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001057740966 1216531597 /nfs/dbraw/zinc/53/15/97/1216531597.db2.gz IKECXDGNAPASOW-IAGOWNOFSA-N 2 0 368.522 0.140 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1C ZINC001057746192 1216536763 /nfs/dbraw/zinc/53/67/63/1216536763.db2.gz OPVWTBPZNMSWIA-BBWFWOEESA-N 2 0 370.538 0.240 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506071 1225712516 /nfs/dbraw/zinc/71/25/16/1225712516.db2.gz XJPBPFCOCXUHKC-NUJGCVRESA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223726842 1225730963 /nfs/dbraw/zinc/73/09/63/1225730963.db2.gz OXWSWLQZDIKZBY-CVEARBPZSA-N 2 0 364.490 0.400 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223846638 1225739575 /nfs/dbraw/zinc/73/95/75/1225739575.db2.gz PYNDUNUPSBBEOD-KURKYZTESA-N 2 0 371.522 0.275 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC001045673123 1217946903 /nfs/dbraw/zinc/94/69/03/1217946903.db2.gz ZKSHOTQTOHVAHU-HRCADAONSA-N 2 0 366.506 0.189 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000900023567 1217955735 /nfs/dbraw/zinc/95/57/35/1217955735.db2.gz ORVYSPHHONODSJ-UHFFFAOYSA-N 2 0 365.566 0.643 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cnnn2C)O1 ZINC001045802431 1217961272 /nfs/dbraw/zinc/96/12/72/1217961272.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 0 362.478 0.100 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCO)CC1 ZINC001049476235 1218459291 /nfs/dbraw/zinc/45/92/91/1218459291.db2.gz ADIWVJQCTZVRDO-XWSJACJDSA-N 2 0 365.518 0.791 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001049485076 1218462774 /nfs/dbraw/zinc/46/27/74/1218462774.db2.gz KUHMTSBFWOSAEP-QBPKDAKJSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734220 1218510685 /nfs/dbraw/zinc/51/06/85/1218510685.db2.gz WDGKSWSRUNDDMJ-OAHLLOKOSA-N 2 0 371.489 0.644 20 0 FCADRP NC(=O)c1cc(F)ccc1N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769629 1218521633 /nfs/dbraw/zinc/52/16/33/1218521633.db2.gz KTPLESGANJJFMB-KXBFYZLASA-N 2 0 362.449 0.815 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225968865 1225829432 /nfs/dbraw/zinc/82/94/32/1225829432.db2.gz AOUAYECLVYTQSO-JHJVBQTASA-N 2 0 364.450 0.203 20 0 FCADRP CCn1nncc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085999 1218685204 /nfs/dbraw/zinc/68/52/04/1218685204.db2.gz SRGHLHLVHPSHSJ-DDBAPUKQSA-N 2 0 358.490 0.861 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCCNC2=O)n1 ZINC001097095206 1218687868 /nfs/dbraw/zinc/68/78/68/1218687868.db2.gz FETXDKGUWNGSOU-MXASKKJJSA-N 2 0 374.489 0.058 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001097779548 1218844970 /nfs/dbraw/zinc/84/49/70/1218844970.db2.gz QPGUYGDXJANVKR-TWMKSMIVSA-N 2 0 358.490 0.829 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001097779156 1218845269 /nfs/dbraw/zinc/84/52/69/1218845269.db2.gz IOWIPMNINMVDDD-OAGGEKHMSA-N 2 0 362.474 0.199 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226942269 1225858524 /nfs/dbraw/zinc/85/85/24/1225858524.db2.gz VBMQCKKGWMSPNF-NUJGCVRESA-N 2 0 370.538 0.742 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001226942086 1225858761 /nfs/dbraw/zinc/85/87/61/1225858761.db2.gz OPRDNNHKQSCAMB-NUJGCVRESA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@@H]3C2)CC[N@@H+]1C ZINC001055347818 1219031395 /nfs/dbraw/zinc/03/13/95/1219031395.db2.gz FBAUHNLRLSWWMC-XWTMOSNGSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001055358742 1219033779 /nfs/dbraw/zinc/03/37/79/1219033779.db2.gz HPLNDFMYPHPOLT-XWTMOSNGSA-N 2 0 364.534 0.974 20 0 FCADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001055505878 1219061739 /nfs/dbraw/zinc/06/17/39/1219061739.db2.gz RUYWGGSUZHLZQR-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227083266 1225863401 /nfs/dbraw/zinc/86/34/01/1225863401.db2.gz QQBLGJQHEJMZHB-KURKYZTESA-N 2 0 368.522 0.640 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CC34CC4)CC2)CC[N@@H+]1C ZINC001055583458 1219087577 /nfs/dbraw/zinc/08/75/77/1219087577.db2.gz ONRGLMDOFAJEPF-DJIMGWMZSA-N 2 0 362.518 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055587261 1219089665 /nfs/dbraw/zinc/08/96/65/1219089665.db2.gz XOVAWCRBKPRQGG-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804049245 1219102618 /nfs/dbraw/zinc/10/26/18/1219102618.db2.gz CAQCTDQGYQBSKY-SJORKVTESA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804058336 1219113687 /nfs/dbraw/zinc/11/36/87/1219113687.db2.gz ZVLLLJZMCCYPEQ-IKGGRYGDSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000804062209 1219117763 /nfs/dbraw/zinc/11/77/63/1219117763.db2.gz DDXHBZTUVKRVLO-IAGOWNOFSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061171 1219118118 /nfs/dbraw/zinc/11/81/18/1219118118.db2.gz RURNQRWAGRSWHE-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCCC3)CCOCC2)CC[N@@H+]1C ZINC001070122987 1219195264 /nfs/dbraw/zinc/19/52/64/1219195264.db2.gz BWNKGIISTNOBBT-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070132761 1219207331 /nfs/dbraw/zinc/20/73/31/1219207331.db2.gz RHUSFRYUSISLNB-OAGGEKHMSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[NH+]3CCCC3)CCOCC2)CC[N@@H+]1C ZINC001070133539 1219209563 /nfs/dbraw/zinc/20/95/63/1219209563.db2.gz DSPSZAIIJTVYGL-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209263 1219294785 /nfs/dbraw/zinc/29/47/85/1219294785.db2.gz VJEGEHPTCVXYFE-OAGGEKHMSA-N 2 0 362.478 0.140 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070226157 1219306535 /nfs/dbraw/zinc/30/65/35/1219306535.db2.gz RYZACKRAKZDLFK-SJORKVTESA-N 2 0 351.414 0.991 20 0 FCADRP O=C(N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001070310951 1219368090 /nfs/dbraw/zinc/36/80/90/1219368090.db2.gz FNSJZTZYWPTMAO-SJORKVTESA-N 2 0 367.457 0.311 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001070509042 1219446046 /nfs/dbraw/zinc/44/60/46/1219446046.db2.gz VJMNPOKVEQHTNT-HLLBOEOZSA-N 2 0 361.490 0.313 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515685 1219448813 /nfs/dbraw/zinc/44/88/13/1219448813.db2.gz QAHSGOBMHULZOO-BGBZDWQGSA-N 2 0 359.474 0.187 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670185 1219517309 /nfs/dbraw/zinc/51/73/09/1219517309.db2.gz CCIQYJHIVDSRQX-XPSUUDRWSA-N 2 0 359.474 0.187 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001070705238 1219534181 /nfs/dbraw/zinc/53/41/81/1219534181.db2.gz KJWCPSXYXMHRNX-BRWVUGGUSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719320 1219541729 /nfs/dbraw/zinc/54/17/29/1219541729.db2.gz ZKUXISFJFMYVJX-USXIJHARSA-N 2 0 371.489 0.190 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070719127 1219541831 /nfs/dbraw/zinc/54/18/31/1219541831.db2.gz TXLUBBJEWJOSJA-RCCFBDPRSA-N 2 0 368.485 0.851 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001070806843 1219547650 /nfs/dbraw/zinc/54/76/50/1219547650.db2.gz AIHNYLZLFFLWLK-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071060050 1219596834 /nfs/dbraw/zinc/59/68/34/1219596834.db2.gz RCJRYFTWVSBLTA-NUJGCVRESA-N 2 0 366.506 0.332 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254808 1225904903 /nfs/dbraw/zinc/90/49/03/1225904903.db2.gz JUHOCXAYVMSZHI-RBSFLKMASA-N 2 0 369.510 0.579 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001228255161 1225905065 /nfs/dbraw/zinc/90/50/65/1225905065.db2.gz RFACDXUNCIFZMY-HUUCEWRRSA-N 2 0 362.478 0.774 20 0 FCADRP CC[C@@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074646790 1219709320 /nfs/dbraw/zinc/70/93/20/1219709320.db2.gz CWDZMVYTROEWNR-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP CCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001098685287 1219810741 /nfs/dbraw/zinc/81/07/41/1219810741.db2.gz DUCAJGPYCSLKRR-HYVNUMGLSA-N 2 0 364.494 0.660 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cncn2)C3)CC[N@@H+]1C ZINC001098996439 1219883437 /nfs/dbraw/zinc/88/34/37/1219883437.db2.gz HSEGOAVOMFWLAZ-DWRORGKVSA-N 2 0 360.506 0.979 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001111466352 1219914049 /nfs/dbraw/zinc/91/40/49/1219914049.db2.gz RWWLYLJIYVJITP-VQHPVUNQSA-N 2 0 366.506 0.031 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2)C12CC[NH+](CC1)C2 ZINC001099122655 1219921799 /nfs/dbraw/zinc/92/17/99/1219921799.db2.gz FAJGILBBERNDBJ-YRNRMSPPSA-N 2 0 370.501 0.832 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228602028 1225934972 /nfs/dbraw/zinc/93/49/72/1225934972.db2.gz AFQHJIVQLINIMC-KBAYOESNSA-N 2 0 368.522 0.498 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001099446631 1219999340 /nfs/dbraw/zinc/99/93/40/1219999340.db2.gz RBXLIRYZINPPAQ-IEZWGBDMSA-N 2 0 360.506 0.874 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099525874 1220023687 /nfs/dbraw/zinc/02/36/87/1220023687.db2.gz DGRHRLSYDBYAGY-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001099525739 1220023778 /nfs/dbraw/zinc/02/37/78/1220023778.db2.gz UMZBEVBNZSFEDO-NBQZKYEYSA-N 2 0 371.485 0.868 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001099525708 1220024102 /nfs/dbraw/zinc/02/41/02/1220024102.db2.gz RTBBJYOSEOCYLL-FTRWYGJKSA-N 2 0 360.502 0.531 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001228624502 1225939346 /nfs/dbraw/zinc/93/93/46/1225939346.db2.gz ZIVOYHWOERFIDV-MGPQQGTHSA-N 2 0 367.494 0.319 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001228669056 1225942036 /nfs/dbraw/zinc/94/20/36/1225942036.db2.gz KHTYOYDFSMBNAC-GVDBMIGSSA-N 2 0 368.522 0.640 20 0 FCADRP Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779039 1220148171 /nfs/dbraw/zinc/14/81/71/1220148171.db2.gz HRQIQUHLPKTJSW-MSOLQXFVSA-N 2 0 373.501 0.959 20 0 FCADRP Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779042 1220148401 /nfs/dbraw/zinc/14/84/01/1220148401.db2.gz HRQIQUHLPKTJSW-QZTJIDSGSA-N 2 0 373.501 0.959 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241269 1220241869 /nfs/dbraw/zinc/24/18/69/1220241869.db2.gz YJKNUWACNZODAY-UWVAXJGDSA-N 2 0 362.518 0.635 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291437 1220272554 /nfs/dbraw/zinc/27/25/54/1220272554.db2.gz KNRJXQNNZXGGGB-BEFAXECRSA-N 2 0 355.442 0.864 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345046 1220296174 /nfs/dbraw/zinc/29/61/74/1220296174.db2.gz RAAUTGYPRWYYAG-AOIWGVFYSA-N 2 0 371.522 0.132 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101418340 1220333471 /nfs/dbraw/zinc/33/34/71/1220333471.db2.gz MSLMQLXVUXTDBA-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429951 1220340261 /nfs/dbraw/zinc/34/02/61/1220340261.db2.gz IARSONGNPORXFQ-QKLQHJQFSA-N 2 0 364.534 0.977 20 0 FCADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001101431391 1220341034 /nfs/dbraw/zinc/34/10/34/1220341034.db2.gz MNPUTNJZXKIQIX-APWZRJJASA-N 2 0 360.502 0.389 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459681 1220358176 /nfs/dbraw/zinc/35/81/76/1220358176.db2.gz OXXQLOLNMRSPFE-HLIPFELVSA-N 2 0 362.518 0.635 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101474962 1220366690 /nfs/dbraw/zinc/36/66/90/1220366690.db2.gz DHQXRAGGIJKLTA-HBFSDRIKSA-N 2 0 367.534 0.896 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477457 1220367849 /nfs/dbraw/zinc/36/78/49/1220367849.db2.gz VJPNGJSCLHZULF-APWZRJJASA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975842 1220449469 /nfs/dbraw/zinc/44/94/69/1220449469.db2.gz DDDHZPMPHQHUFQ-KBAYOESNSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044721 1220474745 /nfs/dbraw/zinc/47/47/45/1220474745.db2.gz BTXNMBKMVUBPTD-HUUCEWRRSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044923 1220476172 /nfs/dbraw/zinc/47/61/72/1220476172.db2.gz KOTMCVJZKWMFPO-ZACQAIPSSA-N 2 0 363.506 0.412 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070308 1220486064 /nfs/dbraw/zinc/48/60/64/1220486064.db2.gz FCWQVNMWLVDGIL-FMKPAKJESA-N 2 0 369.510 0.102 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091078 1220493063 /nfs/dbraw/zinc/49/30/63/1220493063.db2.gz QSQIQIVRIYHKKT-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091213 1220493251 /nfs/dbraw/zinc/49/32/51/1220493251.db2.gz XROALGBJSLECCT-KBAYOESNSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108621 1220498850 /nfs/dbraw/zinc/49/88/50/1220498850.db2.gz UZHLATDOXMXVBA-BFYDXBDKSA-N 2 0 361.490 0.856 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215735 1220557202 /nfs/dbraw/zinc/55/72/02/1220557202.db2.gz WSDIMZRWSYGBSM-ZIAGYGMSSA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215786 1220557658 /nfs/dbraw/zinc/55/76/58/1220557658.db2.gz ZABBOQNCPOTJGU-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273555 1220569883 /nfs/dbraw/zinc/56/98/83/1220569883.db2.gz GGLUXBGVYNPDDE-KZNAEPCWSA-N 2 0 371.522 0.443 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366558 1220594270 /nfs/dbraw/zinc/59/42/70/1220594270.db2.gz JOWDPAYTKGHJJL-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384970 1220603523 /nfs/dbraw/zinc/60/35/23/1220603523.db2.gz LOABKZDLTACMJU-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229047187 1225975396 /nfs/dbraw/zinc/97/53/96/1225975396.db2.gz YGBVZAPRZVJMBP-NUEKZKHPSA-N 2 0 364.494 0.210 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514244 1220673723 /nfs/dbraw/zinc/67/37/23/1220673723.db2.gz RFVVLUDHHQTQMA-KURKYZTESA-N 2 0 365.518 0.962 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514192 1220673993 /nfs/dbraw/zinc/67/39/93/1220673993.db2.gz QCWVDTBACOLMNT-KZNAEPCWSA-N 2 0 365.518 0.962 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102524922 1220680342 /nfs/dbraw/zinc/68/03/42/1220680342.db2.gz DEUIIFNVYDHIIP-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524426 1220681197 /nfs/dbraw/zinc/68/11/97/1220681197.db2.gz FCAVXQOZNCKCOV-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525350 1220682001 /nfs/dbraw/zinc/68/20/01/1220682001.db2.gz XTVXGSQTDBOSBA-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001229229526 1225990606 /nfs/dbraw/zinc/99/06/06/1225990606.db2.gz BFACXHUAIYGTNM-HUUCEWRRSA-N 2 0 362.478 0.774 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580997 1220703865 /nfs/dbraw/zinc/70/38/65/1220703865.db2.gz UYQTVLYINZQPQH-IXDOHACOSA-N 2 0 368.522 0.117 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601053 1220722883 /nfs/dbraw/zinc/72/28/83/1220722883.db2.gz HYTDVGYFHXYOAM-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001229239028 1225992356 /nfs/dbraw/zinc/99/23/56/1225992356.db2.gz UYCLWIVYEXOTLO-GVDBMIGSSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085314 1220831153 /nfs/dbraw/zinc/83/11/53/1220831153.db2.gz PRNPDSYGOTVPAB-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141752 1220840120 /nfs/dbraw/zinc/84/01/20/1220840120.db2.gz SIGURQMSVKUYHL-KZNAEPCWSA-N 2 0 367.534 0.944 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001229286369 1225996735 /nfs/dbraw/zinc/99/67/35/1225996735.db2.gz AGTKUJPANYNBAO-RBSFLKMASA-N 2 0 367.494 0.319 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396783 1220877310 /nfs/dbraw/zinc/87/73/10/1220877310.db2.gz JIANBMHVWFQGNK-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001103448252 1220884440 /nfs/dbraw/zinc/88/44/40/1220884440.db2.gz CSSUFHUWQJECRL-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103550197 1220899157 /nfs/dbraw/zinc/89/91/57/1220899157.db2.gz DHZKOFZTBZAXFH-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612710 1220913598 /nfs/dbraw/zinc/91/35/98/1220913598.db2.gz QUDBLDOPJABJGN-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103612627 1220913675 /nfs/dbraw/zinc/91/36/75/1220913675.db2.gz MLRLFBKIVPLIBR-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)ncn1 ZINC001103643969 1220925943 /nfs/dbraw/zinc/92/59/43/1220925943.db2.gz ZQWLWYJUBUZDGT-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643130 1220926554 /nfs/dbraw/zinc/92/65/54/1220926554.db2.gz FADHRRAXCIOYPP-IAGOWNOFSA-N 2 0 370.538 0.411 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001103663519 1220933613 /nfs/dbraw/zinc/93/36/13/1220933613.db2.gz FYCLMDVWYNNZKD-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665696 1220933889 /nfs/dbraw/zinc/93/38/89/1220933889.db2.gz QEOUTUCNYIWQCG-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723358 1220952966 /nfs/dbraw/zinc/95/29/66/1220952966.db2.gz GNDVJOZSSLNJNG-IAGOWNOFSA-N 2 0 367.538 0.864 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001103999485 1220996310 /nfs/dbraw/zinc/99/63/10/1220996310.db2.gz AGFKPCRNFQHHCF-BZUAXINKSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104202898 1221020817 /nfs/dbraw/zinc/02/08/17/1221020817.db2.gz VDXSZASBVVSTMA-QGPMSJSTSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104202564 1221020829 /nfs/dbraw/zinc/02/08/29/1221020829.db2.gz GLEKCBQXKXJBQV-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1 ZINC001111502864 1221025321 /nfs/dbraw/zinc/02/53/21/1221025321.db2.gz YDTDWHNACIOHCW-ATLSCFEFSA-N 2 0 374.441 0.775 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229496964 1226015101 /nfs/dbraw/zinc/01/51/01/1226015101.db2.gz ZOHFHFCNUTWNDG-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855735 1221137617 /nfs/dbraw/zinc/13/76/17/1221137617.db2.gz KPEJCBKLYZPVMW-YRNRMSPPSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001111853992 1221137662 /nfs/dbraw/zinc/13/76/62/1221137662.db2.gz DXUBUIDALJCKCH-SCTDSRPQSA-N 2 0 363.506 0.557 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855734 1221137968 /nfs/dbraw/zinc/13/79/68/1221137968.db2.gz KPEJCBKLYZPVMW-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001111864373 1221141400 /nfs/dbraw/zinc/14/14/00/1221141400.db2.gz MVTZKJNWYMWWKI-GJYPPUQNSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000782588193 1221173286 /nfs/dbraw/zinc/17/32/86/1221173286.db2.gz VVZJSSRNCCPBFW-DLBZAZTESA-N 2 0 374.485 0.709 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939659 1221179905 /nfs/dbraw/zinc/17/99/05/1221179905.db2.gz LJJCRYHXLKQBLV-LPHOPBHVSA-N 2 0 363.506 0.512 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(N(C)C)no1)C2 ZINC001111950811 1221182074 /nfs/dbraw/zinc/18/20/74/1221182074.db2.gz BLCDFYIHQWPMKB-KSSFIOAISA-N 2 0 364.494 0.948 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009920 1221199482 /nfs/dbraw/zinc/19/94/82/1221199482.db2.gz ZZAUMBCWWLBIKS-SCTDSRPQSA-N 2 0 371.522 0.321 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000783982794 1221227053 /nfs/dbraw/zinc/22/70/53/1221227053.db2.gz PTAZNVSUECJFHL-UHFFFAOYSA-N 2 0 373.501 0.931 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001112355732 1221245281 /nfs/dbraw/zinc/24/52/81/1221245281.db2.gz PECHSQMAPMEFCW-ZWOKBUDYSA-N 2 0 362.518 0.635 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001112401425 1221252728 /nfs/dbraw/zinc/25/27/28/1221252728.db2.gz CTKKMOPKSSLCBF-LPHOPBHVSA-N 2 0 360.506 0.981 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001112424277 1221256781 /nfs/dbraw/zinc/25/67/81/1221256781.db2.gz UUTHWVSQIDUQRG-JXFKEZNVSA-N 2 0 362.518 0.827 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001112439328 1221259303 /nfs/dbraw/zinc/25/93/03/1221259303.db2.gz UHMDPMTXJMNNAI-KSSFIOAISA-N 2 0 363.510 0.659 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229692889 1226027668 /nfs/dbraw/zinc/02/76/68/1226027668.db2.gz LVYFGFDHNIOYTN-GVDBMIGSSA-N 2 0 370.538 0.839 20 0 FCADRP CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229716889 1226030356 /nfs/dbraw/zinc/03/03/56/1226030356.db2.gz MBODWCGMWGRFEN-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP O=C1N[C@H]2CC[NH+](C/C=C\C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179338 1221304254 /nfs/dbraw/zinc/30/42/54/1221304254.db2.gz IMCFPHCXMLWFJP-SBWHVVLFSA-N 2 0 364.446 0.403 20 0 FCADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC001116116079 1221337000 /nfs/dbraw/zinc/33/70/00/1221337000.db2.gz XAYDOLGWDCMNSB-UHFFFAOYSA-N 2 0 367.446 0.114 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229807906 1226036269 /nfs/dbraw/zinc/03/62/69/1226036269.db2.gz IWWLRURXGVYDNL-HUUCEWRRSA-N 2 0 369.510 0.581 20 0 FCADRP CN(CCC1CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117153189 1221483307 /nfs/dbraw/zinc/48/33/07/1221483307.db2.gz ZZKWTMVWBSKZDD-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc(C(N)=O)c3)C2)OCC1=O ZINC001277444032 1226050530 /nfs/dbraw/zinc/05/05/30/1226050530.db2.gz YQZHSYHAHBLVJF-LJQANCHMSA-N 2 0 360.458 0.150 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC001230149520 1226059549 /nfs/dbraw/zinc/05/95/49/1226059549.db2.gz MSEJUCMRTDGNBW-DJIMGWMZSA-N 2 0 364.494 0.300 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001117954530 1221665855 /nfs/dbraw/zinc/66/58/55/1221665855.db2.gz AURRXWQQVSYCQF-HNNXBMFYSA-N 2 0 361.490 0.800 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001230149743 1226059396 /nfs/dbraw/zinc/05/93/96/1226059396.db2.gz QUWFABNKGYRUTB-GVDBMIGSSA-N 2 0 364.494 0.263 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001117956487 1221667140 /nfs/dbraw/zinc/66/71/40/1221667140.db2.gz YTLGZUUKORZZGM-HOTGVXAUSA-N 2 0 373.501 0.894 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[NH3+])C[C@H](C)O1 ZINC001117979945 1221675658 /nfs/dbraw/zinc/67/56/58/1221675658.db2.gz BMSXCNGZEUEYIE-GJZGRUSLSA-N 2 0 362.474 0.377 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC001117985821 1221677412 /nfs/dbraw/zinc/67/74/12/1221677412.db2.gz XIIULBDPOPIKIY-GOSISDBHSA-N 2 0 374.485 0.134 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC001118017995 1221688009 /nfs/dbraw/zinc/68/80/09/1221688009.db2.gz UQEVQTSLDZBCSN-WMLDXEAASA-N 2 0 360.458 0.796 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)CC[NH2+]CC2 ZINC001118086389 1221707414 /nfs/dbraw/zinc/70/74/14/1221707414.db2.gz SJWBXJUGJKLKGQ-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC001118107676 1221711940 /nfs/dbraw/zinc/71/19/40/1221711940.db2.gz MOJNYMFSBIPZOS-DOTOQJQBSA-N 2 0 364.465 0.750 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC1CC[NH+](CC3CC3)CC1)C2 ZINC001118553944 1221800300 /nfs/dbraw/zinc/80/03/00/1221800300.db2.gz MJCWKCBXUVMKSO-PXNSSMCTSA-N 2 0 362.518 0.812 20 0 FCADRP Cn1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+]2CCCC2)n1 ZINC001230335350 1226074129 /nfs/dbraw/zinc/07/41/29/1226074129.db2.gz UWNOGNSHSROJCF-HZPDHXFCSA-N 2 0 363.510 0.993 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118678521 1221818314 /nfs/dbraw/zinc/81/83/14/1221818314.db2.gz JLAGZENTELILEQ-KRWDZBQOSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001119296127 1221898109 /nfs/dbraw/zinc/89/81/09/1221898109.db2.gz MLVDNFOAQBVKBV-UYAOXDASSA-N 2 0 360.502 0.817 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001119343901 1221901874 /nfs/dbraw/zinc/90/18/74/1221901874.db2.gz RRVZGBGTASWCDK-FGTMMUONSA-N 2 0 356.470 0.903 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC001119353906 1221904223 /nfs/dbraw/zinc/90/42/23/1221904223.db2.gz UWMACYXFCLCNKU-IKGGRYGDSA-N 2 0 368.522 0.450 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001119356899 1221905070 /nfs/dbraw/zinc/90/50/70/1221905070.db2.gz MYVHHXZIDARWRB-ZBFHGGJFSA-N 2 0 365.522 0.047 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001119425371 1221916232 /nfs/dbraw/zinc/91/62/32/1221916232.db2.gz UOOORBUPBILARG-GOSISDBHSA-N 2 0 367.538 0.553 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001119610829 1221940003 /nfs/dbraw/zinc/94/00/03/1221940003.db2.gz HMEQTLHICYLVPV-GDBMZVCRSA-N 2 0 359.474 0.752 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119635879 1221943108 /nfs/dbraw/zinc/94/31/08/1221943108.db2.gz FDVKINZHQHPGAR-AWEZNQCLSA-N 2 0 358.442 0.409 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001120487629 1222094001 /nfs/dbraw/zinc/09/40/01/1222094001.db2.gz CIJBFVCAGRGYMD-MRXNPFEDSA-N 2 0 374.485 0.261 20 0 FCADRP NC(=O)c1cccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC001120570292 1222105375 /nfs/dbraw/zinc/10/53/75/1222105375.db2.gz SAYYPHLGVYIQLM-HDICACEKSA-N 2 0 371.485 0.896 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630385 1222345085 /nfs/dbraw/zinc/34/50/85/1222345085.db2.gz ICGFXDWEGZCXEI-BBRMVZONSA-N 2 0 373.457 0.483 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000828284779 1222399657 /nfs/dbraw/zinc/39/96/57/1222399657.db2.gz RXJJPWCREDARNI-ZACQAIPSSA-N 2 0 366.506 0.345 20 0 FCADRP CNc1ncccc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001138691698 1222521441 /nfs/dbraw/zinc/52/14/41/1222521441.db2.gz NXDQGUDXYBQSDB-UHFFFAOYSA-N 2 0 374.533 0.794 20 0 FCADRP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771330 1222523823 /nfs/dbraw/zinc/52/38/23/1222523823.db2.gz MGDGSHIEJCTPCW-FQEVSTJZSA-N 2 0 374.485 0.550 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@@H]1C ZINC000834853289 1222593076 /nfs/dbraw/zinc/59/30/76/1222593076.db2.gz GQRLKQJHDSNGNL-IYBDPMFKSA-N 2 0 368.522 0.545 20 0 FCADRP Cc1nc(N)ccc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001232338983 1226147638 /nfs/dbraw/zinc/14/76/38/1226147638.db2.gz NAJBKUDWBKLKFH-IAGOWNOFSA-N 2 0 361.490 0.583 20 0 FCADRP COCCN1C[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)nc3)C[C@@H]2C1=O ZINC001232366621 1226148804 /nfs/dbraw/zinc/14/88/04/1226148804.db2.gz YRYTWMXCZHGOHM-ROUUACIJSA-N 2 0 373.501 0.370 20 0 FCADRP CC(CC[NH+]1CCN2C(=O)OC[C@H]2C1)CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000839507682 1222743047 /nfs/dbraw/zinc/74/30/47/1222743047.db2.gz KFTHFFWNCRCUFX-HZPDHXFCSA-N 2 0 366.462 0.676 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841152160 1222809981 /nfs/dbraw/zinc/80/99/81/1222809981.db2.gz FHOFLCHGCZMYKF-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000841209228 1222813784 /nfs/dbraw/zinc/81/37/84/1222813784.db2.gz IZEXUVQCJMZQCO-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000841209591 1222813795 /nfs/dbraw/zinc/81/37/95/1222813795.db2.gz SDDBUDWSFGZAHN-UHFFFAOYSA-N 2 0 359.474 0.765 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000841233736 1222815554 /nfs/dbraw/zinc/81/55/54/1222815554.db2.gz FPKPPYSBFDQECA-LJQANCHMSA-N 2 0 359.474 0.574 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000841250425 1222816265 /nfs/dbraw/zinc/81/62/65/1222816265.db2.gz PQJINDXWBCKPMR-HOTGVXAUSA-N 2 0 371.485 0.587 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000841266364 1222817234 /nfs/dbraw/zinc/81/72/34/1222817234.db2.gz XFPQUFNZLHDASZ-QAPCUYQASA-N 2 0 371.485 0.587 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841846302 1222830002 /nfs/dbraw/zinc/83/00/02/1222830002.db2.gz GTVHEMXHZLFZDU-CZUORRHYSA-N 2 0 374.441 0.402 20 0 FCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164384 1222838851 /nfs/dbraw/zinc/83/88/51/1222838851.db2.gz JMFSSCCKOVRZPX-DLBZAZTESA-N 2 0 366.506 0.394 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188842 1222839458 /nfs/dbraw/zinc/83/94/58/1222839458.db2.gz LAUWTVVRKHISLW-HXUWFJFHSA-N 2 0 358.486 0.883 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccn4ccnc34)CC[C@@H]2C1 ZINC001142952100 1222856000 /nfs/dbraw/zinc/85/60/00/1222856000.db2.gz GCQVLDHVXNXBMZ-SJLPKXTDSA-N 2 0 371.485 0.945 20 0 FCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843354765 1222872629 /nfs/dbraw/zinc/87/26/29/1222872629.db2.gz MRMGHCKPONYITA-CQSZACIVSA-N 2 0 367.494 0.968 20 0 FCADRP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364034 1222873465 /nfs/dbraw/zinc/87/34/65/1222873465.db2.gz LVUJZCUXHHJAKG-UHFFFAOYSA-N 2 0 374.485 0.979 20 0 FCADRP CC[C@@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843377732 1222874574 /nfs/dbraw/zinc/87/45/74/1222874574.db2.gz UJUANZVCNVRNRX-KGLIPLIRSA-N 2 0 365.478 0.722 20 0 FCADRP CNC(=O)[C@H](C)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151138060 1222916940 /nfs/dbraw/zinc/91/69/40/1222916940.db2.gz RWYLYANKKFEOCA-OWCLPIDISA-N 2 0 368.522 0.448 20 0 FCADRP CCOC(=O)[C@]12CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154687750 1223016076 /nfs/dbraw/zinc/01/60/76/1223016076.db2.gz STULQIHLHZUXSR-DNVCBOLYSA-N 2 0 359.474 0.923 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157081646 1223067518 /nfs/dbraw/zinc/06/75/18/1223067518.db2.gz CHGPFUQJFOBAFH-OLZOCXBDSA-N 2 0 368.434 0.449 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001157323275 1223074087 /nfs/dbraw/zinc/07/40/87/1223074087.db2.gz NWOOBJXINFBGRL-IRXDYDNUSA-N 2 0 374.485 0.696 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001157337923 1223074249 /nfs/dbraw/zinc/07/42/49/1223074249.db2.gz ZQRASWREBCGLQI-SQNIBIBYSA-N 2 0 360.502 0.875 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)C(=O)N1CCCC1 ZINC001157371429 1223075631 /nfs/dbraw/zinc/07/56/31/1223075631.db2.gz ULLCBGTWALHALA-KRWDZBQOSA-N 2 0 358.486 0.719 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)CC1 ZINC001157448691 1223077013 /nfs/dbraw/zinc/07/70/13/1223077013.db2.gz GGUSKLXXOIPFBN-HNNXBMFYSA-N 2 0 373.457 0.706 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C)([NH3+])C1 ZINC001157650875 1223079863 /nfs/dbraw/zinc/07/98/63/1223079863.db2.gz FXRZPMDVKFBXAD-HOTGVXAUSA-N 2 0 362.474 0.353 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1ccc2c(c1)COC(C)(C)O2 ZINC001157720407 1223081297 /nfs/dbraw/zinc/08/12/97/1223081297.db2.gz IMXJXNVRXVDILZ-HOTGVXAUSA-N 2 0 363.458 0.648 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157967010 1223084854 /nfs/dbraw/zinc/08/48/54/1223084854.db2.gz BJUMMDYRHYRBSB-OALUTQOASA-N 2 0 366.465 0.846 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3nccc(N4CCC([NH3+])CC4)n3)n2)c1 ZINC001158043105 1223087456 /nfs/dbraw/zinc/08/74/56/1223087456.db2.gz ORYRRBPCTQPGMQ-UHFFFAOYSA-N 2 0 351.418 0.506 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071087 1223087896 /nfs/dbraw/zinc/08/78/96/1223087896.db2.gz UISBXSXGJBRTBQ-MGPUTAFESA-N 2 0 370.453 0.077 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001158092574 1223088368 /nfs/dbraw/zinc/08/83/68/1223088368.db2.gz NYMOWEGSPAFKHA-DLBZAZTESA-N 2 0 354.454 0.829 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001158083256 1223088604 /nfs/dbraw/zinc/08/86/04/1223088604.db2.gz ZMGYXGNFIDKUSS-YWZLYKJASA-N 2 0 354.454 0.826 20 0 FCADRP Cc1cccc(C[C@]2(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)CCC[NH2+]2)c1 ZINC001158101661 1223088859 /nfs/dbraw/zinc/08/88/59/1223088859.db2.gz LBLDVPHKQMMZQD-UXHICEINSA-N 2 0 356.470 0.350 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119374 1223089712 /nfs/dbraw/zinc/08/97/12/1223089712.db2.gz GPFHDKRBFXORGC-XGHQBKJUSA-N 2 0 368.481 0.318 20 0 FCADRP O=C([C@@H]1CC[C@H](c2ccccc2)[NH2+]C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120231 1223089781 /nfs/dbraw/zinc/08/97/81/1223089781.db2.gz KQMFHLDWICUWMP-CBGDNZLLSA-N 2 0 368.481 0.665 20 0 FCADRP O=C([C@H]1Oc2ccccc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166712 1223090270 /nfs/dbraw/zinc/09/02/70/1223090270.db2.gz CGAFYZJNQDNSAY-ZTFGCOKTSA-N 2 0 357.454 0.516 20 0 FCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001158191642 1223090856 /nfs/dbraw/zinc/09/08/56/1223090856.db2.gz VBCMAJYFWUQDMH-ASPXRTSYSA-N 2 0 356.470 0.416 20 0 FCADRP COC(=O)c1nc2cnccc2c(N2CCC(N3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262812 1223092403 /nfs/dbraw/zinc/09/24/03/1223092403.db2.gz WDUNEWWWJJSNHY-LBPRGKRZSA-N 2 0 356.430 0.813 20 0 FCADRP Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282423 1223093878 /nfs/dbraw/zinc/09/38/78/1223093878.db2.gz QROHENBTAKEKND-MSOLQXFVSA-N 2 0 363.506 0.763 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4CC[NH2+][C@@H]4C3)cc(=O)oc2c1 ZINC001158305146 1223094703 /nfs/dbraw/zinc/09/47/03/1223094703.db2.gz DMOSNPYALRJGQK-KNXALSJPSA-N 2 0 357.410 0.492 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C13CC(C1)C[NH2+]3)C2 ZINC001158468776 1223099448 /nfs/dbraw/zinc/09/94/48/1223099448.db2.gz RVIAIIMLORGGFR-WFUNKSORSA-N 2 0 361.486 0.910 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001158478969 1223099510 /nfs/dbraw/zinc/09/95/10/1223099510.db2.gz HCCJKCDGXDGUCB-HNAYVOBHSA-N 3 0 366.506 0.096 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]([NH3+])c1ccc(OC)nc1 ZINC001158495949 1223100112 /nfs/dbraw/zinc/10/01/12/1223100112.db2.gz GVKGABBYMOPGIP-ZQDZILKHSA-N 2 0 362.430 0.232 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001158506818 1223100488 /nfs/dbraw/zinc/10/04/88/1223100488.db2.gz RQNAGMIADKOBHV-LQKXBSAESA-N 2 0 374.441 0.188 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c2ccco2)CC1 ZINC001158534846 1223101626 /nfs/dbraw/zinc/10/16/26/1223101626.db2.gz UTTAWVPGBFPQDH-GNUPYSACSA-N 2 0 374.485 0.723 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533440 1223101703 /nfs/dbraw/zinc/10/17/03/1223101703.db2.gz LRNCULDDIOVNLV-HLNWXESRSA-N 2 0 359.470 0.771 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569297 1223102369 /nfs/dbraw/zinc/10/23/69/1223102369.db2.gz XRMHLCQLVOKCSI-QRVBRYPASA-N 2 0 354.498 0.918 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579857 1223103297 /nfs/dbraw/zinc/10/32/97/1223103297.db2.gz YOUSIPVQGNGUBN-JYJNAYRXSA-N 2 0 362.449 0.208 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158671187 1223105124 /nfs/dbraw/zinc/10/51/24/1223105124.db2.gz DUGGKROPMQBCEJ-XMTFNYHQSA-N 2 0 372.469 0.166 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734861 1223106293 /nfs/dbraw/zinc/10/62/93/1223106293.db2.gz GVVPXBUVNZOWII-QZWWFDLISA-N 2 0 358.442 0.028 20 0 FCADRP O=C(N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158735565 1223106922 /nfs/dbraw/zinc/10/69/22/1223106922.db2.gz VLFLPBFWGHZILF-SORZXXQLSA-N 2 0 372.469 0.418 20 0 FCADRP CC(C)N(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759639 1223107275 /nfs/dbraw/zinc/10/72/75/1223107275.db2.gz SKAZDZOQSQNSHS-KVULBXGLSA-N 2 0 361.490 0.785 20 0 FCADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158791536 1223109570 /nfs/dbraw/zinc/10/95/70/1223109570.db2.gz XBAUTDKPXRMFRV-KGLIPLIRSA-N 2 0 362.478 0.244 20 0 FCADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158842934 1223111080 /nfs/dbraw/zinc/11/10/80/1223111080.db2.gz PPXNMTOGWFGBND-YOEHRIQHSA-N 2 0 372.473 0.776 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001159135561 1223118674 /nfs/dbraw/zinc/11/86/74/1223118674.db2.gz XFXMLVBDMVLTAH-BZSNNMDCSA-N 2 0 374.533 0.477 20 0 FCADRP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160645 1223119847 /nfs/dbraw/zinc/11/98/47/1223119847.db2.gz NNKZKFWGNNYSHL-JXXFODFXSA-N 3 0 364.534 0.724 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236289 1223121812 /nfs/dbraw/zinc/12/18/12/1223121812.db2.gz NGAVORFDMZYUFQ-INIZCTEOSA-N 3 0 371.489 0.413 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291585 1223123701 /nfs/dbraw/zinc/12/37/01/1223123701.db2.gz QBIMKZWLEWGUGX-HNNXBMFYSA-N 2 0 366.506 0.189 20 0 FCADRP CO[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316876 1223124331 /nfs/dbraw/zinc/12/43/31/1223124331.db2.gz NYRJNTCPCRMTNT-IPMKNSEASA-N 2 0 373.501 0.035 20 0 FCADRP Cc1cnc2n1CCC21CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001159382053 1223125412 /nfs/dbraw/zinc/12/54/12/1223125412.db2.gz MJIPLHMNOCFAGT-INIZCTEOSA-N 2 0 360.506 0.206 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001159411446 1223126235 /nfs/dbraw/zinc/12/62/35/1223126235.db2.gz CHNGKAAZPOOYLA-ROUUACIJSA-N 2 0 357.502 0.831 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001159472577 1223128003 /nfs/dbraw/zinc/12/80/03/1223128003.db2.gz WHRCQDKOFZNPFL-LFGUQSLTSA-N 2 0 362.518 0.145 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550126 1223129572 /nfs/dbraw/zinc/12/95/72/1223129572.db2.gz WCPNQFIOWDXPQC-HNNXBMFYSA-N 3 0 358.490 0.067 20 0 FCADRP C[C@@H](C[NH3+])C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159574185 1223129711 /nfs/dbraw/zinc/12/97/11/1223129711.db2.gz OXZXPDPGBSHATL-AWEZNQCLSA-N 2 0 354.458 0.961 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667767 1223132859 /nfs/dbraw/zinc/13/28/59/1223132859.db2.gz UXMGBROWSYVKOL-ROUUACIJSA-N 2 0 356.470 0.883 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@]4(C)CC[NH2+]C4)C3)O2)CC1 ZINC001159756874 1223135781 /nfs/dbraw/zinc/13/57/81/1223135781.db2.gz GKDDKFBVALFWCL-YZGWKJHDSA-N 2 0 364.534 0.774 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819150 1223136967 /nfs/dbraw/zinc/13/69/67/1223136967.db2.gz UTHRVQCRNOUZNP-HOCLYGCPSA-N 2 0 366.506 0.509 20 0 FCADRP CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159844405 1223137566 /nfs/dbraw/zinc/13/75/66/1223137566.db2.gz GNZQJENPUKAYDN-HOTGVXAUSA-N 2 0 368.522 0.613 20 0 FCADRP [NH3+]CCNCC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888697 1223139155 /nfs/dbraw/zinc/13/91/55/1223139155.db2.gz VHFMOEAFGPXSCJ-QGZVFWFLSA-N 2 0 367.444 0.690 20 0 FCADRP O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159929717 1223140059 /nfs/dbraw/zinc/14/00/59/1223140059.db2.gz KHSFQAKQJLMVHV-UIPMGKATSA-N 2 0 358.442 0.086 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159994659 1223142553 /nfs/dbraw/zinc/14/25/53/1223142553.db2.gz SUIDBSGDHCVUGQ-QGZVFWFLSA-N 2 0 373.501 0.046 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086545 1223144459 /nfs/dbraw/zinc/14/44/59/1223144459.db2.gz UYLLLKYVZBKRFB-FUHIMQAGSA-N 2 0 371.485 0.263 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110607 1223145845 /nfs/dbraw/zinc/14/58/45/1223145845.db2.gz NODCASASTRJHIX-IAGOWNOFSA-N 2 0 371.485 0.373 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160137536 1223146511 /nfs/dbraw/zinc/14/65/11/1223146511.db2.gz DMVKMLPYQMGGCJ-CUSZFKRNSA-N 3 0 361.490 0.638 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160128040 1223146738 /nfs/dbraw/zinc/14/67/38/1223146738.db2.gz JZNWKOVTKKTEER-VPWXQRGCSA-N 2 0 373.501 0.523 20 0 FCADRP O=C([C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157020 1223147585 /nfs/dbraw/zinc/14/75/85/1223147585.db2.gz SRRCNSYKFMAYQZ-FTEYMNFISA-N 2 0 363.502 0.857 20 0 FCADRP O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160203512 1223149580 /nfs/dbraw/zinc/14/95/80/1223149580.db2.gz WPKZHEOAWNNAEQ-IRXDYDNUSA-N 2 0 374.529 0.731 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160230138 1223150894 /nfs/dbraw/zinc/15/08/94/1223150894.db2.gz IBDRXHGDXQMEPU-DLBZAZTESA-N 2 0 372.473 0.520 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160229838 1223150937 /nfs/dbraw/zinc/15/09/37/1223150937.db2.gz DEPKVUOSZRWESC-CJNGLKHVSA-N 2 0 368.432 0.607 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160237094 1223151659 /nfs/dbraw/zinc/15/16/59/1223151659.db2.gz UMXPBNBUVLDTDP-KRWDZBQOSA-N 2 0 372.473 0.392 20 0 FCADRP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001160323185 1223155172 /nfs/dbraw/zinc/15/51/72/1223155172.db2.gz JFAOJTNVEZVDQZ-GJZGRUSLSA-N 2 0 374.489 0.032 20 0 FCADRP C[C@@]1(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CC[NH2+]C1 ZINC001160408920 1223157895 /nfs/dbraw/zinc/15/78/95/1223157895.db2.gz WKPIKZZEMFAXGK-GOSISDBHSA-N 2 0 355.446 0.699 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415367 1223158398 /nfs/dbraw/zinc/15/83/98/1223158398.db2.gz SGQRAVBHLMPBQB-VQIMIIECSA-N 2 0 372.473 0.149 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001160422409 1223158744 /nfs/dbraw/zinc/15/87/44/1223158744.db2.gz FQOCRJTXPDMJSR-XXQMMXQMSA-N 2 0 358.486 0.863 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584381 1223165138 /nfs/dbraw/zinc/16/51/38/1223165138.db2.gz DLWQAXGOPPQTHK-UHFFFAOYSA-N 2 0 357.458 0.184 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1ccccc1)C1CCOCC1 ZINC001160590270 1223165723 /nfs/dbraw/zinc/16/57/23/1223165723.db2.gz KHHJKILUVIRHQM-LJQANCHMSA-N 2 0 360.502 0.945 20 0 FCADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160698219 1223168746 /nfs/dbraw/zinc/16/87/46/1223168746.db2.gz HQXHNFOWCJOWOM-PMPSAXMXSA-N 2 0 368.522 0.578 20 0 FCADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160708589 1223169242 /nfs/dbraw/zinc/16/92/42/1223169242.db2.gz AAJGKIUGGBUFIR-IBGZPJMESA-N 2 0 370.497 0.366 20 0 FCADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160708591 1223169351 /nfs/dbraw/zinc/16/93/51/1223169351.db2.gz AAJGKIUGGBUFIR-LJQANCHMSA-N 2 0 370.497 0.366 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001160835291 1223176847 /nfs/dbraw/zinc/17/68/47/1223176847.db2.gz SJVQGCJKEYSWAV-SFHVURJKSA-N 2 0 368.485 0.507 20 0 FCADRP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160909040 1223180286 /nfs/dbraw/zinc/18/02/86/1223180286.db2.gz JJICDOTVZWPQAN-ALILYOIUSA-N 2 0 366.506 0.602 20 0 FCADRP O=C([C@H]1Oc2ccccc2C12CC[NH2+]CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001479 1223183082 /nfs/dbraw/zinc/18/30/82/1223183082.db2.gz YPXKPNQGCMPDIB-QZTJIDSGSA-N 2 0 371.481 0.784 20 0 FCADRP O=C([C@@H]1Oc2ccccc2C12CC[NH2+]CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001473 1223183091 /nfs/dbraw/zinc/18/30/91/1223183091.db2.gz YPXKPNQGCMPDIB-MSOLQXFVSA-N 2 0 371.481 0.784 20 0 FCADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161009526 1223183327 /nfs/dbraw/zinc/18/33/27/1223183327.db2.gz WKKDYRBWRGIAJH-XKGZKEIXSA-N 2 0 370.497 0.428 20 0 FCADRP CN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161065090 1223184509 /nfs/dbraw/zinc/18/45/09/1223184509.db2.gz PISQLMNXGRJWPV-LZWOXQAQSA-N 2 0 358.446 0.732 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196350 1223188679 /nfs/dbraw/zinc/18/86/79/1223188679.db2.gz DLJBKQKOLJZETI-MSOLQXFVSA-N 2 0 370.513 0.485 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161276617 1223193562 /nfs/dbraw/zinc/19/35/62/1223193562.db2.gz YOPYGXMAVYZGPQ-GVDBMIGSSA-N 2 0 360.458 0.561 20 0 FCADRP COc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC2)cc1 ZINC001161303112 1223194995 /nfs/dbraw/zinc/19/49/95/1223194995.db2.gz AUTQTJASUKUJOX-QGZVFWFLSA-N 2 0 360.458 0.307 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412198 1223198618 /nfs/dbraw/zinc/19/86/18/1223198618.db2.gz HIPAAXSQRSSQGR-FPCVCCKLSA-N 2 0 359.474 0.505 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C[C@@H]12 ZINC001161417871 1223198875 /nfs/dbraw/zinc/19/88/75/1223198875.db2.gz YOMLKMHSYBKBDW-XKVFNRALSA-N 2 0 356.430 0.200 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccnc1O[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161449715 1223199656 /nfs/dbraw/zinc/19/96/56/1223199656.db2.gz QJTUVTOOABKJER-HOTGVXAUSA-N 3 0 361.490 0.578 20 0 FCADRP O=C(c1cccnc1NC1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001161469905 1223200473 /nfs/dbraw/zinc/20/04/73/1223200473.db2.gz KLNDRSLDTODOGD-INIZCTEOSA-N 2 0 358.490 0.365 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)CC2 ZINC001161479934 1223200653 /nfs/dbraw/zinc/20/06/53/1223200653.db2.gz RANZPXISSQKNDU-FRQCXROJSA-N 2 0 361.442 0.319 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])c1cccc(OC)c1)CC2 ZINC001161480226 1223200740 /nfs/dbraw/zinc/20/07/40/1223200740.db2.gz OGKBLUCQPHZDDQ-JTDSTZFVSA-N 2 0 361.442 0.839 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])c1cccc(OC)c1)CC2 ZINC001161480228 1223200778 /nfs/dbraw/zinc/20/07/78/1223200778.db2.gz OGKBLUCQPHZDDQ-MDZRGWNJSA-N 2 0 361.442 0.839 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1)CC2 ZINC001161479721 1223200827 /nfs/dbraw/zinc/20/08/27/1223200827.db2.gz LPQJRCLPFZLKGE-ZYSHUDEJSA-N 2 0 363.433 0.839 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c3ncccc13)CC2 ZINC001161478213 1223200948 /nfs/dbraw/zinc/20/09/48/1223200948.db2.gz LKVZEVNBPBHHGM-KHYOSLBOSA-N 2 0 371.441 0.186 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])C1Cc3ccccc3C1)CC2 ZINC001161480844 1223200964 /nfs/dbraw/zinc/20/09/64/1223200964.db2.gz VMGBPUAVNAWATR-UWVAXJGDSA-N 2 0 357.454 0.482 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161481485 1223201308 /nfs/dbraw/zinc/20/13/08/1223201308.db2.gz XZWGOEMPMPVGHG-JCGVRSQUSA-N 2 0 369.462 0.060 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)CC2 ZINC001161481616 1223201335 /nfs/dbraw/zinc/20/13/35/1223201335.db2.gz YNAAIHQCUHVJCB-RLFYNMQTSA-N 2 0 367.396 0.588 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1ccc3c(c1)CC[NH2+]CC3)CC2 ZINC001161483492 1223201413 /nfs/dbraw/zinc/20/14/13/1223201413.db2.gz MZLGXAWABZSJJR-XLIONFOSSA-N 2 0 357.454 0.742 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161481487 1223201594 /nfs/dbraw/zinc/20/15/94/1223201594.db2.gz XZWGOEMPMPVGHG-LXIYXOSZSA-N 2 0 369.462 0.060 20 0 FCADRP COc1ccccc1C1(CC(=O)N2C[C@H]([NH3+])C3(COC3)C2)CC[NH2+]CC1 ZINC001161508304 1223202614 /nfs/dbraw/zinc/20/26/14/1223202614.db2.gz DCPNRWDYHTYTGC-KRWDZBQOSA-N 2 0 359.470 0.893 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@@H]1[NH3+] ZINC001161493269 1223202754 /nfs/dbraw/zinc/20/27/54/1223202754.db2.gz IMKMQYRIYZNBPK-RCLSDMTESA-N 3 0 372.513 0.673 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)C2(CC3=O)CC[NH2+]CC2)CC12COC2 ZINC001161506547 1223202879 /nfs/dbraw/zinc/20/28/79/1223202879.db2.gz KYXFTQWPUXSARX-QGZVFWFLSA-N 2 0 355.438 0.694 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596122 1223205523 /nfs/dbraw/zinc/20/55/23/1223205523.db2.gz ZZBKFMFKWYKPAF-YOEHRIQHSA-N 2 0 356.470 0.946 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](CC(=O)NC)CC2)CC[N@@H+]1C ZINC001162275533 1223212813 /nfs/dbraw/zinc/21/28/13/1223212813.db2.gz VZRIBWKFLNRXBV-JKSUJKDBSA-N 2 0 368.522 0.308 20 0 FCADRP CCOC(=O)c1cnc(NCCC[NH2+]CCCC[NH3+])nc1C(=O)OCC ZINC001162290308 1223213543 /nfs/dbraw/zinc/21/35/43/1223213543.db2.gz NKCKUZASBZSWIL-UHFFFAOYSA-N 2 0 367.450 0.961 20 0 FCADRP [NH3+][C@H]1COC[C@H]1Nc1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001162925088 1223221598 /nfs/dbraw/zinc/22/15/98/1223221598.db2.gz MGDFDLOIONQFCO-ZWKOTPCHSA-N 2 0 359.474 0.920 20 0 FCADRP [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001163253016 1223228214 /nfs/dbraw/zinc/22/82/14/1223228214.db2.gz JZYLDBGEVPNABA-ICLOAJAWSA-N 2 0 357.458 0.676 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001163530188 1223232122 /nfs/dbraw/zinc/23/21/22/1223232122.db2.gz APUPNAZGFUDKIC-UHFFFAOYSA-N 2 0 362.478 0.655 20 0 FCADRP [NH3+]CCN(CCO)c1cc(N2CCC[C@@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001163832360 1223234639 /nfs/dbraw/zinc/23/46/39/1223234639.db2.gz OTJZCDJRBJYQHS-OAHLLOKOSA-N 2 0 372.473 0.954 20 0 FCADRP C[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001164565905 1223239713 /nfs/dbraw/zinc/23/97/13/1223239713.db2.gz GWPAZZIRZKPCQP-JQHSSLGASA-N 2 0 367.534 0.990 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC001164582390 1223240009 /nfs/dbraw/zinc/24/00/09/1223240009.db2.gz KAOBEGXAHVEFLC-SOUVJXGZSA-N 2 0 363.510 0.878 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001164582360 1223240106 /nfs/dbraw/zinc/24/01/06/1223240106.db2.gz JFZKAQJHJJACJD-BZUAXINKSA-N 2 0 360.506 0.982 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001164582810 1223240119 /nfs/dbraw/zinc/24/01/19/1223240119.db2.gz PQERWMJFALKULD-HZSPNIEDSA-N 2 0 367.494 0.176 20 0 FCADRP CCOC(=O)c1c[nH]c2cc(N3CC(=O)NC4(CC[NH2+]CC4)C3)[nH+]cc21 ZINC001165254256 1223243829 /nfs/dbraw/zinc/24/38/29/1223243829.db2.gz BUZODMWIICSDGO-UHFFFAOYSA-N 2 0 357.414 0.798 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165370590 1223245045 /nfs/dbraw/zinc/24/50/45/1223245045.db2.gz BGJGNVZZTUHTAC-GJZGRUSLSA-N 2 0 371.363 0.601 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC001205144650 1223312189 /nfs/dbraw/zinc/31/21/89/1223312189.db2.gz JNOIHXRZXBYMMY-GUDVDZBRSA-N 2 0 361.486 0.393 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205217135 1223317643 /nfs/dbraw/zinc/31/76/43/1223317643.db2.gz UXQCUXFSHULMIA-QXAKKESOSA-N 2 0 361.486 0.537 20 0 FCADRP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001205226292 1223317663 /nfs/dbraw/zinc/31/76/63/1223317663.db2.gz ORUKJJNZUVGGGO-BHIYHBOVSA-N 2 0 363.502 0.781 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205217134 1223318082 /nfs/dbraw/zinc/31/80/82/1223318082.db2.gz UXQCUXFSHULMIA-BHIYHBOVSA-N 2 0 361.486 0.537 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1)C(N)=O ZINC001205307225 1223319669 /nfs/dbraw/zinc/31/96/69/1223319669.db2.gz WGZAWGJDJAREFJ-RRQGHBQHSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001205321841 1223320133 /nfs/dbraw/zinc/32/01/33/1223320133.db2.gz LKVJIBHWOUPCTL-LZQZEXGQSA-N 2 0 367.534 0.942 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205686161 1223335258 /nfs/dbraw/zinc/33/52/58/1223335258.db2.gz WTUAPGRODGDXEU-UKPHBRMFSA-N 2 0 362.449 0.407 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1ncccc1F)CC2 ZINC001207028878 1223406959 /nfs/dbraw/zinc/40/69/59/1223406959.db2.gz VQCMONKLVIMETL-UHFFFAOYSA-N 2 0 363.481 0.891 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001207395548 1223442101 /nfs/dbraw/zinc/44/21/01/1223442101.db2.gz UINLWBKEFLKMIL-GOSISDBHSA-N 2 0 365.518 0.916 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC1 ZINC001207398179 1223443635 /nfs/dbraw/zinc/44/36/35/1223443635.db2.gz ZDJTWVDHTLMIGE-JENIJYKNSA-N 2 0 373.501 0.885 20 0 FCADRP O=C(CC1CC1)NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207436414 1223446403 /nfs/dbraw/zinc/44/64/03/1223446403.db2.gz BLFVKWWHIKIJEB-UHFFFAOYSA-N 2 0 373.501 0.865 20 0 FCADRP O=C(NC[C@H]1Cn2ccnc2C[N@H+](CC2CC[NH2+]CC2)C1)c1ccnnc1 ZINC001207436639 1223446964 /nfs/dbraw/zinc/44/69/64/1223446964.db2.gz GCPQGZMMAJOGMG-MRXNPFEDSA-N 2 0 369.473 0.535 20 0 FCADRP CN(C)C(=O)COCc1nnc2n1CCN(CCC1CC[NH+](C)CC1)C2 ZINC001207485950 1223450091 /nfs/dbraw/zinc/45/00/91/1223450091.db2.gz ZVLDEZHFQFPAAQ-UHFFFAOYSA-N 2 0 364.494 0.430 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036484 1223507828 /nfs/dbraw/zinc/50/78/28/1223507828.db2.gz MKOQCOMXBXYBIK-LVPSCPSHSA-N 2 0 363.502 0.713 20 0 FCADRP CC(C)COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036536 1223507977 /nfs/dbraw/zinc/50/79/77/1223507977.db2.gz ORXZBIBWJAMFHA-QUJXQBBWSA-N 2 0 365.518 0.959 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070591 1223513100 /nfs/dbraw/zinc/51/31/00/1223513100.db2.gz NOYNMIMTVATUHD-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](CC1(C[NH+](C)C)CCCC1)C[C@@H]2C(=O)N(C)C ZINC001208188891 1223521512 /nfs/dbraw/zinc/52/15/12/1223521512.db2.gz OXUAFBRKIAKFNH-QGZVFWFLSA-N 2 0 364.534 0.977 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610627 1223562641 /nfs/dbraw/zinc/56/26/41/1223562641.db2.gz RIXDDPQJGOUTNA-HZMVEIRTSA-N 2 0 359.474 0.951 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738626 1223574039 /nfs/dbraw/zinc/57/40/39/1223574039.db2.gz HWIAOYSHJMMNGI-IXDOHACOSA-N 2 0 364.494 0.216 20 0 FCADRP COCCOCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276629942 1223608417 /nfs/dbraw/zinc/60/84/17/1223608417.db2.gz GSFAQRFORCMERU-QZTJIDSGSA-N 2 0 368.522 0.310 20 0 FCADRP C[C@@H]1CN(Cc2cncn2C)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478618 1223623958 /nfs/dbraw/zinc/62/39/58/1223623958.db2.gz WVPVXYQAUNVGIV-SJLPKXTDSA-N 2 0 363.506 0.859 20 0 FCADRP CC(C)CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837364 1223652818 /nfs/dbraw/zinc/65/28/18/1223652818.db2.gz XCOCGKFBZMPXGS-NVXWUHKLSA-N 2 0 368.522 0.306 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497744 1223694899 /nfs/dbraw/zinc/69/48/99/1223694899.db2.gz INRSWXIQYHVULW-HUUCEWRRSA-N 2 0 367.494 0.097 20 0 FCADRP COCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343995 1223736068 /nfs/dbraw/zinc/73/60/68/1223736068.db2.gz WTGJPAHPJUNRST-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001211450256 1223743801 /nfs/dbraw/zinc/74/38/01/1223743801.db2.gz POSBSVKARAPJBV-IXDOHACOSA-N 2 0 368.478 0.124 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001213555309 1223813049 /nfs/dbraw/zinc/81/30/49/1223813049.db2.gz GYZUHXJKIAAVRL-IAGOWNOFSA-N 2 0 367.494 0.299 20 0 FCADRP CO[C@@H]1CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728738 1223839938 /nfs/dbraw/zinc/83/99/38/1223839938.db2.gz RAKWLIHHBRVYTB-RBSFLKMASA-N 2 0 366.506 0.201 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747487 1223843212 /nfs/dbraw/zinc/84/32/12/1223843212.db2.gz JZBFGGXGQVUDFD-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213756332 1223844707 /nfs/dbraw/zinc/84/47/07/1223844707.db2.gz SEBRDPMXJMYJDZ-BRWVUGGUSA-N 2 0 370.538 0.839 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759304 1223845244 /nfs/dbraw/zinc/84/52/44/1223845244.db2.gz FXUQVGHZYATDLV-ARFHVFGLSA-N 2 0 370.538 0.837 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213860270 1223863009 /nfs/dbraw/zinc/86/30/09/1223863009.db2.gz YHKYRPQQHIAVHP-BRWVUGGUSA-N 2 0 364.494 0.216 20 0 FCADRP CO[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871709 1223865502 /nfs/dbraw/zinc/86/55/02/1223865502.db2.gz DEPZDTLPNAQXSS-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214343727 1223902748 /nfs/dbraw/zinc/90/27/48/1223902748.db2.gz DUFMOWFLNQMHLI-OIISXLGYSA-N 2 0 359.474 0.229 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655837 1223929634 /nfs/dbraw/zinc/92/96/34/1223929634.db2.gz REQMLNGVETZDOH-NVXWUHKLSA-N 2 0 367.494 0.158 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214856164 1223948456 /nfs/dbraw/zinc/94/84/56/1223948456.db2.gz XOWJFUCWNAJKJI-QBIMZIAESA-N 2 0 362.474 0.673 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001214905113 1223954219 /nfs/dbraw/zinc/95/42/19/1223954219.db2.gz YYFRZKHKLOBIAD-KYJSFNMBSA-N 2 0 368.522 0.304 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC000978177016 1248716192 /nfs/dbraw/zinc/71/61/92/1248716192.db2.gz JDAUNLWIQACZSC-QQXKLLMISA-N 2 0 365.518 0.410 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C)C1CC1 ZINC001215199771 1223981663 /nfs/dbraw/zinc/98/16/63/1223981663.db2.gz DRUJJYFYHFGEEQ-GDBMZVCRSA-N 2 0 361.490 0.800 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219759 1223983384 /nfs/dbraw/zinc/98/33/84/1223983384.db2.gz NMRABZUQNUICOP-HHXXYDBFSA-N 2 0 363.502 0.848 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215224730 1223983668 /nfs/dbraw/zinc/98/36/68/1223983668.db2.gz XANQOZIJULRCLY-BJZITVGISA-N 2 0 362.518 0.918 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298883 1223991377 /nfs/dbraw/zinc/99/13/77/1223991377.db2.gz LPMOHKJWHHUYAY-IXDOHACOSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215299126 1223991384 /nfs/dbraw/zinc/99/13/84/1223991384.db2.gz YETICFCTFLUXDZ-ZIAGYGMSSA-N 2 0 363.462 0.924 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc4cc[nH]c4cn3)C2)OCC1=O ZINC001276720932 1223992218 /nfs/dbraw/zinc/99/22/18/1223992218.db2.gz XMZIGLHNNIJJRN-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215558000 1224005947 /nfs/dbraw/zinc/00/59/47/1224005947.db2.gz JAWKRNONSUXSON-NZSAHSFTSA-N 2 0 363.502 0.605 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NCc1nnnn1C1CC1 ZINC001215564032 1224006217 /nfs/dbraw/zinc/00/62/17/1224006217.db2.gz YRNATZFDWCEINX-UKRRQHHQSA-N 2 0 363.510 0.922 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778311 1224017550 /nfs/dbraw/zinc/01/75/50/1224017550.db2.gz FYMDIGBGUAKMGJ-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215989728 1224028950 /nfs/dbraw/zinc/02/89/50/1224028950.db2.gz KIZMJZSOBMLMCZ-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001216413194 1224049159 /nfs/dbraw/zinc/04/91/59/1224049159.db2.gz FKJXBFCUVSSQQC-CZUORRHYSA-N 2 0 359.474 0.724 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)c1ccco1 ZINC001216757489 1224068908 /nfs/dbraw/zinc/06/89/08/1224068908.db2.gz ADRODLGBANZMTJ-BZUAXINKSA-N 2 0 362.474 0.989 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216830089 1224076363 /nfs/dbraw/zinc/07/63/63/1224076363.db2.gz KITKWIWPMMMMQS-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCNC4=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282674 1248776448 /nfs/dbraw/zinc/77/64/48/1248776448.db2.gz FFBRAKGFHFPBBA-OIUNUZSUSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC000985438035 1248922360 /nfs/dbraw/zinc/92/23/60/1248922360.db2.gz IGOHGXMRWZMHBG-GDBMZVCRSA-N 2 0 364.490 0.398 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986773249 1248994264 /nfs/dbraw/zinc/99/42/64/1248994264.db2.gz YFDKJZPUMUZODI-PNBKFKSVSA-N 2 0 359.474 0.599 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000993832939 1250001608 /nfs/dbraw/zinc/00/16/08/1250001608.db2.gz FWDDPTAOFXSWEM-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000849056605 1245391076 /nfs/dbraw/zinc/39/10/76/1245391076.db2.gz ZRSBUUNEBXQGEX-AWEZNQCLSA-N 2 0 364.494 0.839 20 0 FCADRP C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897262942 1245468807 /nfs/dbraw/zinc/46/88/07/1245468807.db2.gz DGWGHRHSTJJHJZ-APWZRJJASA-N 2 0 364.534 0.582 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517282 1245504411 /nfs/dbraw/zinc/50/44/11/1245504411.db2.gz RERFJPDKIGDZEA-BMGDILEWSA-N 2 0 358.486 0.918 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C[C@@H](C)O1 ZINC000911518009 1245504531 /nfs/dbraw/zinc/50/45/31/1245504531.db2.gz ZYBLVZXHGKJTRX-DTTOXWODSA-N 2 0 374.485 0.343 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@@H]21 ZINC000911517261 1245504792 /nfs/dbraw/zinc/50/47/92/1245504792.db2.gz QZIANCLOUSRWMT-NRSFXHEJSA-N 2 0 356.470 0.670 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000911518278 1245506434 /nfs/dbraw/zinc/50/64/34/1245506434.db2.gz RRNNKBJRAUHWPE-CGTJXYLNSA-N 2 0 356.470 0.814 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556803 1245513695 /nfs/dbraw/zinc/51/36/95/1245513695.db2.gz MJQGEBLMPKHDDG-HZPDHXFCSA-N 2 0 359.474 0.767 20 0 FCADRP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281093 1245705451 /nfs/dbraw/zinc/70/54/51/1245705451.db2.gz DNCOVDAVPQKYMT-ROUUACIJSA-N 2 0 361.486 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217519 1250290085 /nfs/dbraw/zinc/29/00/85/1250290085.db2.gz NPBKJVPQSKTNLI-SOLBZPMBSA-N 2 0 364.534 0.881 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000943466134 1247331335 /nfs/dbraw/zinc/33/13/35/1247331335.db2.gz QYNCPYSBAVOURE-OWCLPIDISA-N 2 0 364.490 0.051 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000946776049 1248011961 /nfs/dbraw/zinc/01/19/61/1248011961.db2.gz ZIHHAWAJAILZLK-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)CC[N@@H+]1C ZINC000976594483 1248267832 /nfs/dbraw/zinc/26/78/32/1248267832.db2.gz CTXVRFYMQXRLFV-MTSZKFMLSA-N 2 0 360.502 0.528 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000976866511 1248436901 /nfs/dbraw/zinc/43/69/01/1248436901.db2.gz DDYAVEWZMUQDPV-SQZHQNNWSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC000977197476 1248566747 /nfs/dbraw/zinc/56/67/47/1248566747.db2.gz SNICIBHLEGKKMT-LAOQMUKWSA-N 2 0 371.485 0.581 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)CC[N@@H+]1C ZINC000994336179 1250384991 /nfs/dbraw/zinc/38/49/91/1250384991.db2.gz QDLGMOGBMAOPHM-QBPKDAKJSA-N 2 0 362.518 0.633 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328184296 1265499497 /nfs/dbraw/zinc/49/94/97/1265499497.db2.gz KPZFBKZYWXNFGG-SFHVURJKSA-N 2 0 367.538 0.519 20 0 FCADRP COCC1([NH2+]CC2(C[NH2+]C3(COC)CCOCC3)COC2)CCOCC1 ZINC001328409762 1265541230 /nfs/dbraw/zinc/54/12/30/1265541230.db2.gz HGXUEKNMDONNCO-UHFFFAOYSA-N 2 0 372.506 0.573 20 0 FCADRP NC(=O)C[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](CC(N)=O)C3)c2)C1 ZINC001328481223 1265559549 /nfs/dbraw/zinc/55/95/49/1265559549.db2.gz BWKJFQGJXRLLFI-HUUCEWRRSA-N 2 0 359.474 0.476 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ncnn3CCF)CC2)CC[N@@H+]1C ZINC000997787389 1251706973 /nfs/dbraw/zinc/70/69/73/1251706973.db2.gz YWZQAPDFOISLJY-GDBMZVCRSA-N 2 0 366.485 0.916 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000998654038 1251941566 /nfs/dbraw/zinc/94/15/66/1251941566.db2.gz DVGJRJOQJOPOMQ-PMPSAXMXSA-N 2 0 358.486 0.426 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998658147 1251943478 /nfs/dbraw/zinc/94/34/78/1251943478.db2.gz JWZQOIQZPUJVLK-NCOADZHNSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362847 1265716534 /nfs/dbraw/zinc/71/65/34/1265716534.db2.gz MNTBNEKDKJVJJQ-QFBILLFUSA-N 2 0 360.502 0.674 20 0 FCADRP C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CCC1 ZINC001004396390 1253313105 /nfs/dbraw/zinc/31/31/05/1253313105.db2.gz PPIZDACVXNKEHQ-ZACQAIPSSA-N 2 0 360.502 0.815 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033840036 1253967703 /nfs/dbraw/zinc/96/77/03/1253967703.db2.gz ZYYNRFWMEKUNFC-BZUAXINKSA-N 2 0 364.490 0.398 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001034218042 1253980918 /nfs/dbraw/zinc/98/09/18/1253980918.db2.gz YGZGZAUDFXQNHM-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967089 1254090080 /nfs/dbraw/zinc/09/00/80/1254090080.db2.gz PAZDYSSTQIYCQR-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001061737050 1254216036 /nfs/dbraw/zinc/21/60/36/1254216036.db2.gz FDOVCQJBPJPLTE-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001065205302 1254486967 /nfs/dbraw/zinc/48/69/67/1254486967.db2.gz BSHRGFHJQQWIKV-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC001520192340 1265872874 /nfs/dbraw/zinc/87/28/74/1265872874.db2.gz QKNBIKKKLWTCNJ-WMZOPIPTSA-N 2 0 351.539 0.996 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)CC)CCO2)CC[N@@H+]1C ZINC001065613752 1254548997 /nfs/dbraw/zinc/54/89/97/1254548997.db2.gz CEGYEORGWCCLIK-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CCC1 ZINC001077582641 1254733111 /nfs/dbraw/zinc/73/31/11/1254733111.db2.gz NNNXXQBOXVJSNM-BRWVUGGUSA-N 2 0 365.474 0.931 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077685185 1254877096 /nfs/dbraw/zinc/87/70/96/1254877096.db2.gz CNBOJKLSGRFKOE-QXAKKESOSA-N 2 0 361.486 0.602 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077838532 1255038316 /nfs/dbraw/zinc/03/83/16/1255038316.db2.gz AOEKSHRYTNDPLH-QXAKKESOSA-N 2 0 361.486 0.950 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978354 1255140819 /nfs/dbraw/zinc/14/08/19/1255140819.db2.gz CMGQISWMDVFRRI-GUDVDZBRSA-N 2 0 365.518 0.839 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001078227139 1255339685 /nfs/dbraw/zinc/33/96/85/1255339685.db2.gz KXSHQPNZTUVNPK-ATZDWAIDSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001078228197 1255343145 /nfs/dbraw/zinc/34/31/45/1255343145.db2.gz HGWMTZMHSDTWQO-RTBURBONSA-N 2 0 361.486 0.950 20 0 FCADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405592 1255408517 /nfs/dbraw/zinc/40/85/17/1255408517.db2.gz SFNVJDYMDKQODD-KBAYOESNSA-N 2 0 363.506 0.776 20 0 FCADRP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405232 1255408996 /nfs/dbraw/zinc/40/89/96/1255408996.db2.gz IQEWBMGHSQVZEU-KBAYOESNSA-N 2 0 363.506 0.950 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079240763 1255484050 /nfs/dbraw/zinc/48/40/50/1255484050.db2.gz BRWDLKDLACCUIE-OKZBNKHCSA-N 2 0 365.518 0.791 20 0 FCADRP CC[C@H](C(=O)N1CC2(CC[NH+](CC(=O)NC)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079248334 1255486614 /nfs/dbraw/zinc/48/66/14/1255486614.db2.gz UDHOEUKTIQYSEP-ARFHVFGLSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001079299033 1255503556 /nfs/dbraw/zinc/50/35/56/1255503556.db2.gz SVAKSEIPYQRIEF-YXJHDRRASA-N 2 0 362.449 0.535 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1F)C(N)=O ZINC001079321045 1255506914 /nfs/dbraw/zinc/50/69/14/1255506914.db2.gz YDXCLANBNNXGEJ-JLJPHGGASA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949309 1255677311 /nfs/dbraw/zinc/67/73/11/1255677311.db2.gz XVPWFSGRJOWMTI-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161208 1255765497 /nfs/dbraw/zinc/76/54/97/1255765497.db2.gz RFOWJGNULFTKPR-LDBBTLTOSA-N 2 0 359.474 0.183 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164525 1255767633 /nfs/dbraw/zinc/76/76/33/1255767633.db2.gz FUVPMHJDPYSHOL-LGFHUAIBSA-N 2 0 356.470 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441333 1255889173 /nfs/dbraw/zinc/88/91/73/1255889173.db2.gz JAISCLHMERIYQG-IIDMSEBBSA-N 2 0 366.485 0.927 20 0 FCADRP C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CC[NH+](C)CC1 ZINC001520792730 1266001397 /nfs/dbraw/zinc/00/13/97/1266001397.db2.gz CHPWKXXUMSWEIU-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081125530 1256188371 /nfs/dbraw/zinc/18/83/71/1256188371.db2.gz FLJIGNIJYXHQCY-BHYGNILZSA-N 2 0 358.486 0.929 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001081226698 1256211775 /nfs/dbraw/zinc/21/17/75/1256211775.db2.gz GCTDHJXNLDGOPJ-CEXWTWQISA-N 2 0 368.485 0.814 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670086 1256328423 /nfs/dbraw/zinc/32/84/23/1256328423.db2.gz FGXINXLNRAVSGO-KZNAEPCWSA-N 2 0 361.490 0.120 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694312 1256335568 /nfs/dbraw/zinc/33/55/68/1256335568.db2.gz WGKLDJYJWUNPFF-BRSBDYLESA-N 2 0 363.506 0.656 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840565 1256406142 /nfs/dbraw/zinc/40/61/42/1256406142.db2.gz MTKYKXBKWNPINR-IAGOWNOFSA-N 2 0 361.490 0.575 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326495 1256666542 /nfs/dbraw/zinc/66/65/42/1256666542.db2.gz GMTAVONSUSOXGO-CGTJXYLNSA-N 2 0 363.506 0.603 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330567870 1266061159 /nfs/dbraw/zinc/06/11/59/1266061159.db2.gz NHAYOWHHFASFMO-QGZVFWFLSA-N 2 0 366.554 0.044 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082448488 1256765613 /nfs/dbraw/zinc/76/56/13/1256765613.db2.gz SAYOYZRCTLQSTN-YUELXQCFSA-N 2 0 358.446 0.053 20 0 FCADRP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515662 1256800861 /nfs/dbraw/zinc/80/08/61/1256800861.db2.gz UJVASELUXSZAPD-XOKHGSTOSA-N 2 0 360.506 0.885 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082555819 1256851979 /nfs/dbraw/zinc/85/19/79/1256851979.db2.gz MIUYVCJUPFGFAQ-BRWVUGGUSA-N 2 0 365.522 0.426 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082612359 1256923107 /nfs/dbraw/zinc/92/31/07/1256923107.db2.gz JQBITEQJFPTKKM-KFWWJZLASA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082705540 1256996237 /nfs/dbraw/zinc/99/62/37/1256996237.db2.gz KEHVAAROZVQTNV-LTIDMASMSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082742769 1257024223 /nfs/dbraw/zinc/02/42/23/1257024223.db2.gz RAOYBIOHSDZNJU-SIIHOXLZSA-N 2 0 366.485 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082744247 1257025238 /nfs/dbraw/zinc/02/52/38/1257025238.db2.gz ZTGSJSXLFFMFQQ-OWCLPIDISA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082745875 1257027362 /nfs/dbraw/zinc/02/73/62/1257027362.db2.gz VQXCLCPFTQHZAQ-ZTFGCOKTSA-N 2 0 358.486 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082784384 1257048535 /nfs/dbraw/zinc/04/85/35/1257048535.db2.gz SYCHDKWTWSVRJO-NVXWUHKLSA-N 2 0 366.506 0.014 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082827999 1257086081 /nfs/dbraw/zinc/08/60/81/1257086081.db2.gz LMFGMDPJOFJLDU-RHSMWYFYSA-N 2 0 364.494 0.345 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082851885 1257104473 /nfs/dbraw/zinc/10/44/73/1257104473.db2.gz HMBDBNZVSBYPKO-ZTFGCOKTSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082921059 1257144902 /nfs/dbraw/zinc/14/49/02/1257144902.db2.gz SKGYQSIQLZDLGO-XNRPHZJLSA-N 2 0 359.474 0.948 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923316 1257146746 /nfs/dbraw/zinc/14/67/46/1257146746.db2.gz DEZMKOWXZOVAKL-RVKKMQEKSA-N 2 0 361.490 0.690 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082923483 1257148232 /nfs/dbraw/zinc/14/82/32/1257148232.db2.gz LKLWOLOEVVRTDL-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085109 1257286212 /nfs/dbraw/zinc/28/62/12/1257286212.db2.gz ZYBKZDHPZBJDNI-HYVNUMGLSA-N 2 0 365.478 0.005 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)CC[N@@H+]1C ZINC001083085936 1257288346 /nfs/dbraw/zinc/28/83/46/1257288346.db2.gz UUVWRDFCOPFPBS-NRSFXHEJSA-N 2 0 361.490 0.214 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@H+](C)CCN1C ZINC001521342328 1266113351 /nfs/dbraw/zinc/11/33/51/1266113351.db2.gz FYYPASUKPTWLAJ-DOTOQJQBSA-N 2 0 351.495 0.987 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084403322 1258081459 /nfs/dbraw/zinc/08/14/59/1258081459.db2.gz PMMWOXPQHXKTIF-KZNAEPCWSA-N 2 0 360.506 0.789 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001331164744 1266161541 /nfs/dbraw/zinc/16/15/41/1266161541.db2.gz KBCMOOJRVLGGIK-BQFCYCMXSA-N 2 0 360.502 0.842 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001084630898 1258210761 /nfs/dbraw/zinc/21/07/61/1258210761.db2.gz ZCWQUWGTEHIGLR-CGTJXYLNSA-N 2 0 362.518 0.777 20 0 FCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)CC2)C1 ZINC001521706590 1266167620 /nfs/dbraw/zinc/16/76/20/1266167620.db2.gz TYOLZZHWCZBSEU-ZBFHGGJFSA-N 2 0 350.463 0.630 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972096 1258485047 /nfs/dbraw/zinc/48/50/47/1258485047.db2.gz NVTPEXLVNRBBIJ-ZACQAIPSSA-N 2 0 363.506 0.419 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC001331318591 1266192191 /nfs/dbraw/zinc/19/21/91/1266192191.db2.gz JPZKSGJRBGRBJR-WMLDXEAASA-N 2 0 362.474 0.802 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)cc1=O ZINC001085092687 1258586461 /nfs/dbraw/zinc/58/64/61/1258586461.db2.gz MDQGWNUSJIXNCN-KURKYZTESA-N 2 0 358.486 0.760 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092976 1258588843 /nfs/dbraw/zinc/58/88/43/1258588843.db2.gz YRXCWINFAJGRRU-NUJGCVRESA-N 2 0 360.506 0.981 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cn2)CC1 ZINC001331363123 1266200500 /nfs/dbraw/zinc/20/05/00/1266200500.db2.gz PSSJTKQLSWMMIK-DLBZAZTESA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088154406 1258664584 /nfs/dbraw/zinc/66/45/84/1258664584.db2.gz LKHQBHQPRWBIEG-KURKYZTESA-N 2 0 365.518 0.914 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170453 1258691648 /nfs/dbraw/zinc/69/16/48/1258691648.db2.gz RZFFGZJFLGHMED-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172645 1258694362 /nfs/dbraw/zinc/69/43/62/1258694362.db2.gz XKBKKKFDPRITDE-OAGGEKHMSA-N 2 0 360.502 0.530 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088200178 1258720971 /nfs/dbraw/zinc/72/09/71/1258720971.db2.gz RVQFUOUAQLXTIH-PMPSAXMXSA-N 2 0 359.474 0.717 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720986 1258819039 /nfs/dbraw/zinc/81/90/39/1258819039.db2.gz BKBVAVNSAYCKMT-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816996 1258853107 /nfs/dbraw/zinc/85/31/07/1258853107.db2.gz JZCIUHZVOVQIJP-QLFBSQMISA-N 2 0 370.457 0.700 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828653 1258858544 /nfs/dbraw/zinc/85/85/44/1258858544.db2.gz PBCAPEOQXQFBCJ-GDBMZVCRSA-N 2 0 355.442 0.864 20 0 FCADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001100690428 1258914199 /nfs/dbraw/zinc/91/41/99/1258914199.db2.gz BYLOZXSYSADGJZ-SYNTWQANSA-N 2 0 358.486 0.562 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001106594190 1258927273 /nfs/dbraw/zinc/92/72/73/1258927273.db2.gz OOYGWDNZCRQNHR-OAGGEKHMSA-N 2 0 360.506 0.791 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC001106622967 1258929039 /nfs/dbraw/zinc/92/90/39/1258929039.db2.gz ADWKPQPXKGVQSF-BRWVUGGUSA-N 2 0 367.490 0.793 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623056 1258929616 /nfs/dbraw/zinc/92/96/16/1258929616.db2.gz FHSKEROMXAWNFZ-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665094 1258936150 /nfs/dbraw/zinc/93/61/50/1258936150.db2.gz HSPCUXLGYMBGRU-SOLBZPMBSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)C1 ZINC001106666885 1258936715 /nfs/dbraw/zinc/93/67/15/1258936715.db2.gz YEIWEUPTZQKJKE-LZLYRXPVSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106808125 1258967459 /nfs/dbraw/zinc/96/74/59/1258967459.db2.gz LPYTYMLPYQGLBK-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001106880179 1258986334 /nfs/dbraw/zinc/98/63/34/1258986334.db2.gz CROHQWIWPXTCMJ-SJLPKXTDSA-N 2 0 365.522 0.708 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001106877935 1258986477 /nfs/dbraw/zinc/98/64/77/1258986477.db2.gz DCLFVZNQEBOGIS-VQIMIIECSA-N 2 0 363.502 0.941 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106878347 1258986645 /nfs/dbraw/zinc/98/66/45/1258986645.db2.gz NCVOZUKXKHPBIR-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878695 1258986677 /nfs/dbraw/zinc/98/66/77/1258986677.db2.gz XWXYYCYHWBURON-GDBMZVCRSA-N 2 0 366.510 0.369 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882625 1258987064 /nfs/dbraw/zinc/98/70/64/1258987064.db2.gz YFRRZQZTFQMKFX-IXDOHACOSA-N 2 0 364.534 0.927 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881777 1258987435 /nfs/dbraw/zinc/98/74/35/1258987435.db2.gz JQDGSNJFPANZRN-IXDOHACOSA-N 2 0 370.538 0.506 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106882135 1258987725 /nfs/dbraw/zinc/98/77/25/1258987725.db2.gz QMPRNZYCNGVPIA-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001107028138 1259020140 /nfs/dbraw/zinc/02/01/40/1259020140.db2.gz RHEZGKOONJYKCR-HUUCEWRRSA-N 2 0 364.494 0.169 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001107039484 1259022898 /nfs/dbraw/zinc/02/28/98/1259022898.db2.gz UHGLJANSXDAXSJ-HUUCEWRRSA-N 2 0 362.478 0.439 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)no1 ZINC001107040824 1259024161 /nfs/dbraw/zinc/02/41/61/1259024161.db2.gz OUYMIPKKLWTFRW-UKRRQHHQSA-N 2 0 365.478 0.946 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001107071038 1259027430 /nfs/dbraw/zinc/02/74/30/1259027430.db2.gz CCHHAHYIQUHAFY-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439041 1259088298 /nfs/dbraw/zinc/08/82/98/1259088298.db2.gz PAGKAMNSKRKPRJ-ZHALLVOQSA-N 2 0 360.506 0.979 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12 ZINC001107622902 1259135885 /nfs/dbraw/zinc/13/58/85/1259135885.db2.gz GQIQHCWCZXYXJO-ZHALLVOQSA-N 2 0 364.490 0.721 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632178 1259139435 /nfs/dbraw/zinc/13/94/35/1259139435.db2.gz URHNAXYOFBFBAR-MBOZVWFJSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632023 1259139481 /nfs/dbraw/zinc/13/94/81/1259139481.db2.gz MJFKROTZCXVCGR-SQGPQFPESA-N 2 0 362.518 0.825 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646631 1259141730 /nfs/dbraw/zinc/14/17/30/1259141730.db2.gz NGEVRVHAQYEXLA-RDTXWAMCSA-N 2 0 367.494 0.143 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403755 1259157535 /nfs/dbraw/zinc/15/75/35/1259157535.db2.gz XDEOWKAXJICHGM-NCOADZHNSA-N 2 0 369.506 0.216 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571200 1259181455 /nfs/dbraw/zinc/18/14/55/1259181455.db2.gz NHLDKKAMZLDUJP-AEFFLSMTSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644063 1259182444 /nfs/dbraw/zinc/18/24/44/1259182444.db2.gz STCXFYQUKLXMCR-SQWLQELKSA-N 2 0 364.465 0.876 20 0 FCADRP COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001127644259 1259183048 /nfs/dbraw/zinc/18/30/48/1259183048.db2.gz XCANKCPYVYQOHE-RHSMWYFYSA-N 2 0 362.474 0.357 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129055078 1259301353 /nfs/dbraw/zinc/30/13/53/1259301353.db2.gz SSLGSOHIFVWNQX-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129064410 1259303860 /nfs/dbraw/zinc/30/38/60/1259303860.db2.gz CSVFXELYKHCFBL-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261693 1259357832 /nfs/dbraw/zinc/35/78/32/1259357832.db2.gz GIQDQTRXVNNKGP-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001200536723 1259416657 /nfs/dbraw/zinc/41/66/57/1259416657.db2.gz GCBRJQIVZXJDMN-OWCLPIDISA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001200554375 1259416730 /nfs/dbraw/zinc/41/67/30/1259416730.db2.gz JEGLGTWWJMEEOA-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001200636057 1259419141 /nfs/dbraw/zinc/41/91/41/1259419141.db2.gz FFGGGTRZPDRNFJ-HYVNUMGLSA-N 2 0 366.506 0.202 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674683 1259425888 /nfs/dbraw/zinc/42/58/88/1259425888.db2.gz GOHCAUJQNFFMPU-RYQLBKOJSA-N 2 0 358.486 0.658 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(=O)N(C)C ZINC001211669146 1259425926 /nfs/dbraw/zinc/42/59/26/1259425926.db2.gz KUHMZWXCFWYMKC-BPQIPLTHSA-N 2 0 360.502 0.999 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673410 1259426096 /nfs/dbraw/zinc/42/60/96/1259426096.db2.gz ICRCMNBQFGBSQY-BPQIPLTHSA-N 2 0 358.486 0.801 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673411 1259426642 /nfs/dbraw/zinc/42/66/42/1259426642.db2.gz ICRCMNBQFGBSQY-RYQLBKOJSA-N 2 0 358.486 0.801 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430851 1259501844 /nfs/dbraw/zinc/50/18/44/1259501844.db2.gz ZADMUORJQOGTEF-CGTJXYLNSA-N 2 0 363.506 0.652 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212461427 1259516197 /nfs/dbraw/zinc/51/61/97/1259516197.db2.gz ZMZSEUYMRJQSQK-IAGOWNOFSA-N 2 0 371.522 0.585 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212496114 1259525765 /nfs/dbraw/zinc/52/57/65/1259525765.db2.gz ZMHJLEYKMQWGDH-DJIMGWMZSA-N 2 0 362.430 0.079 20 0 FCADRP Cc1nc(C)c(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)[nH]1 ZINC001234616528 1259563513 /nfs/dbraw/zinc/56/35/13/1259563513.db2.gz KUXBNCDJKIXQAX-UHFFFAOYSA-N 2 0 362.522 0.697 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCN[C@]4(CC[NH2+]C4)C3)cnc12 ZINC001235055268 1259567348 /nfs/dbraw/zinc/56/73/48/1259567348.db2.gz UJGWORVBBSEVHB-IBGZPJMESA-N 2 0 355.490 0.334 20 0 FCADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)CC1 ZINC001235616649 1259579993 /nfs/dbraw/zinc/57/99/93/1259579993.db2.gz RKPVLHXRKDDJOI-SJORKVTESA-N 2 0 362.522 0.287 20 0 FCADRP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@@H+](CC[C@H]1C[NH2+]CCO1)C2 ZINC001235653789 1259580950 /nfs/dbraw/zinc/58/09/50/1259580950.db2.gz SRPZUITUDHFJPJ-KRWDZBQOSA-N 3 0 363.506 0.736 20 0 FCADRP CC(C)(C)C(=O)Nc1ncccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870995 1259582207 /nfs/dbraw/zinc/58/22/07/1259582207.db2.gz NHBLYYXMTJSFDJ-UHFFFAOYSA-N 2 0 362.522 0.651 20 0 FCADRP COc1cccc(-c2ncc(CN3CC[NH2+]CCNCC[NH2+]CC3)cn2)c1 ZINC001235871305 1259582551 /nfs/dbraw/zinc/58/25/51/1259582551.db2.gz RVEHDZFQSCAHPD-UHFFFAOYSA-N 2 0 370.501 0.737 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001235775155 1259582748 /nfs/dbraw/zinc/58/27/48/1259582748.db2.gz RIGRZYCYAKNEPQ-HZPDHXFCSA-N 2 0 372.473 0.519 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236309530 1259588221 /nfs/dbraw/zinc/58/82/21/1259588221.db2.gz MMEUGHIZSMBMNO-IBGZPJMESA-N 3 0 361.534 0.624 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(O)c(OCC2CC2)c1 ZINC001236312766 1259588729 /nfs/dbraw/zinc/58/87/29/1259588729.db2.gz ZONZCODVJPYBMU-UHFFFAOYSA-N 2 0 364.490 0.797 20 0 FCADRP CCOC(=O)c1c(C)[nH]c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1C ZINC001236310049 1259589400 /nfs/dbraw/zinc/58/94/00/1259589400.db2.gz UVRPMVGDAQPBRX-UHFFFAOYSA-N 2 0 367.494 0.424 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001237066639 1259595218 /nfs/dbraw/zinc/59/52/18/1259595218.db2.gz YXJAHLQVBZPFGW-ICSRJNTNSA-N 2 0 358.486 0.823 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001237060814 1259595470 /nfs/dbraw/zinc/59/54/70/1259595470.db2.gz JWXLZVIMKIWRCU-FPOVZHCZSA-N 2 0 372.513 0.819 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333774 1259609464 /nfs/dbraw/zinc/60/94/64/1259609464.db2.gz NOXDXHOLCALAOH-SJORKVTESA-N 2 0 368.522 0.801 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N3CC[NH2+]CCC34CCOCC4)ccn2)CC1 ZINC001335336281 1259613053 /nfs/dbraw/zinc/61/30/53/1259613053.db2.gz JKRHGUAMZJKVNR-UHFFFAOYSA-N 2 0 373.501 0.818 20 0 FCADRP Cc1cc(OC2CC[NH2+]CC2)nc(-c2cnc(N3CC[NH2+]CC3)nc2)n1 ZINC001241894547 1259632010 /nfs/dbraw/zinc/63/20/10/1259632010.db2.gz AEGVXWJGEHBULF-UHFFFAOYSA-N 2 0 355.446 0.782 20 0 FCADRP O[C@@H](C[NH2+]CC1(c2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245994896 1259643372 /nfs/dbraw/zinc/64/33/72/1259643372.db2.gz FVEONBIHCQJUKH-GOSISDBHSA-N 3 0 365.493 0.902 20 0 FCADRP CCCOC[C@H](O)C[NH2+][C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246005189 1259644043 /nfs/dbraw/zinc/64/40/43/1259644043.db2.gz DHJPENFOXZWWGX-SISKNIMQSA-N 2 0 374.522 0.666 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997789 1259644228 /nfs/dbraw/zinc/64/42/28/1259644228.db2.gz VVAQVCBSAZVJMG-FGTMMUONSA-N 3 0 369.456 0.944 20 0 FCADRP CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC12C[NH2+]C2 ZINC001246060170 1259645043 /nfs/dbraw/zinc/64/50/43/1259645043.db2.gz NDNWKAJTQGWMQV-OKZBNKHCSA-N 2 0 361.486 0.392 20 0 FCADRP [NH3+]CC1CN([C@@H]2CCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049349 1259646408 /nfs/dbraw/zinc/64/64/08/1259646408.db2.gz QTKSJMPOHQAAJF-CEXWTWQISA-N 2 0 368.472 0.550 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246121922 1259647805 /nfs/dbraw/zinc/64/78/05/1259647805.db2.gz VPVPVJWWAHCYAE-FXUHHZDVSA-N 2 0 369.506 0.779 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)CN1 ZINC001246199914 1259650136 /nfs/dbraw/zinc/65/01/36/1259650136.db2.gz YXHBHEBSJCKIMH-MOPGFXCFSA-N 2 0 360.502 0.817 20 0 FCADRP CCC[C@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC ZINC001246512978 1259654447 /nfs/dbraw/zinc/65/44/47/1259654447.db2.gz IOVLKUZGZXXUMP-KKUMJFAQSA-N 2 0 370.542 0.673 20 0 FCADRP CCC[C@@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC ZINC001246512977 1259654712 /nfs/dbraw/zinc/65/47/12/1259654712.db2.gz IOVLKUZGZXXUMP-ILXRZTDVSA-N 2 0 370.542 0.673 20 0 FCADRP Cn1ncc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2COc1cccnc1 ZINC001246696255 1259662973 /nfs/dbraw/zinc/66/29/73/1259662973.db2.gz QYKFFRFVHZHURK-CVEARBPZSA-N 2 0 368.485 0.887 20 0 FCADRP O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709477 1259666637 /nfs/dbraw/zinc/66/66/37/1259666637.db2.gz OQJXROFBDHWOEU-SQGPQFPESA-N 2 0 371.485 0.595 20 0 FCADRP Fc1cccnc1OC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246720912 1259667840 /nfs/dbraw/zinc/66/78/40/1259667840.db2.gz CQVHOXZHUFXYCC-VKJFTORMSA-N 2 0 362.449 0.642 20 0 FCADRP Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719429 1259669452 /nfs/dbraw/zinc/66/94/52/1259669452.db2.gz GCZDXTIXXPCPSR-BEFAXECRSA-N 2 0 372.517 0.419 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738828 1259675979 /nfs/dbraw/zinc/67/59/79/1259675979.db2.gz OPJDZGKJAZAOLN-WFXMFSGNSA-N 2 0 358.490 0.634 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745172 1259676771 /nfs/dbraw/zinc/67/67/71/1259676771.db2.gz MQYPUTBDAMGKGK-WOCWXWTJSA-N 2 0 372.517 0.976 20 0 FCADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744807 1259677403 /nfs/dbraw/zinc/67/74/03/1259677403.db2.gz LTVVCOONFRCBAF-AXVVYFOYSA-N 2 0 372.517 0.976 20 0 FCADRP CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751856 1259680106 /nfs/dbraw/zinc/68/01/06/1259680106.db2.gz CQTICTBFHIEICS-UWVAXJGDSA-N 2 0 372.517 0.630 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752298 1259680161 /nfs/dbraw/zinc/68/01/61/1259680161.db2.gz ZCXZIUDIEKZDQS-AZUAARDMSA-N 2 0 369.513 0.990 20 0 FCADRP CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751853 1259680876 /nfs/dbraw/zinc/68/08/76/1259680876.db2.gz CQTICTBFHIEICS-FUHIMQAGSA-N 2 0 372.517 0.630 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001335484684 1259681552 /nfs/dbraw/zinc/68/15/52/1259681552.db2.gz ZIVYJSCSCFXHFS-GOSISDBHSA-N 2 0 359.518 0.934 20 0 FCADRP O=C(N[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246754954 1259682964 /nfs/dbraw/zinc/68/29/64/1259682964.db2.gz HELSZAKQCCNQKM-OWSLCNJRSA-N 2 0 371.485 0.137 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765217 1259684559 /nfs/dbraw/zinc/68/45/59/1259684559.db2.gz INISOKNCESDHCA-RIUYPTKQSA-N 2 0 359.474 0.684 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1=O ZINC001335498712 1259688507 /nfs/dbraw/zinc/68/85/07/1259688507.db2.gz QWPFASLNGDGYOU-SJORKVTESA-N 2 0 353.438 0.628 20 0 FCADRP O=C([C@@H]1C[C@]2(CO1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774332 1259689869 /nfs/dbraw/zinc/68/98/69/1259689869.db2.gz MLFYWZIFRMMWKH-LJDZDVQXSA-N 2 0 363.502 0.999 20 0 FCADRP O=C(c1ccccc1)N1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246817892 1259691339 /nfs/dbraw/zinc/69/13/39/1259691339.db2.gz AZPHMBRPNJODSD-IBGZPJMESA-N 2 0 359.518 0.376 20 0 FCADRP c1cc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc(N2CCCC2)n1 ZINC001246865081 1259692168 /nfs/dbraw/zinc/69/21/68/1259692168.db2.gz VUKWXJBIJOVOMI-MRXNPFEDSA-N 3 0 357.506 0.293 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCC[C@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856599 1259692301 /nfs/dbraw/zinc/69/23/01/1259692301.db2.gz FHNMVGSNRUQDOG-XBEOPHEFSA-N 2 0 360.462 0.487 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005753 1259697821 /nfs/dbraw/zinc/69/78/21/1259697821.db2.gz GGNSKEABLURJGA-ILXRZTDVSA-N 2 0 367.490 0.533 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4CCN5)n3)cc2)CC1 ZINC001247834048 1259704322 /nfs/dbraw/zinc/70/43/22/1259704322.db2.gz GFKMXCGDJQQKPR-BEFAXECRSA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@H]4C[NH2+]CC45C[NH2+]C5)n3)cc2)CC1 ZINC001247832268 1259704418 /nfs/dbraw/zinc/70/44/18/1259704418.db2.gz XDWOEUZPHIRTOH-MRXNPFEDSA-N 3 0 354.458 0.765 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@]34C[NH2+]C[C@H]3CCN4)n2)CC1 ZINC001247835355 1259706936 /nfs/dbraw/zinc/70/69/36/1259706936.db2.gz JJEBUSVVTKHIHB-KUHUBIRLSA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)CC1 ZINC001247855182 1259707692 /nfs/dbraw/zinc/70/76/92/1259707692.db2.gz IZTXVSDHRBHVRE-FOIQADDNSA-N 3 0 368.485 0.939 20 0 FCADRP C[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035862 1259734424 /nfs/dbraw/zinc/73/44/24/1259734424.db2.gz PXUANYLLEQNHKX-FQEVSTJZSA-N 2 0 362.518 0.217 20 0 FCADRP C[NH+](C)CCCN1CC[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251405957 1259747345 /nfs/dbraw/zinc/74/73/45/1259747345.db2.gz SOSLTOGHPSXYPO-IBGZPJMESA-N 2 0 370.538 0.928 20 0 FCADRP CN(C)C1(C[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC[NH+](C)CC1 ZINC001253159178 1259824494 /nfs/dbraw/zinc/82/44/94/1259824494.db2.gz AOYWXLLIDIIBFW-SFHVURJKSA-N 2 0 365.518 0.577 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181597 1259825057 /nfs/dbraw/zinc/82/50/57/1259825057.db2.gz FVHUUDBINHIKSU-ROUUACIJSA-N 2 0 365.518 0.816 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001335840153 1259863819 /nfs/dbraw/zinc/86/38/19/1259863819.db2.gz ZROQCNGLVLRKGA-FUHWJXTLSA-N 2 0 352.523 0.175 20 0 FCADRP NC(=O)[C@H](Cc1c[nH]cn1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254054500 1259870484 /nfs/dbraw/zinc/87/04/84/1259870484.db2.gz SLPYCSGYOCMQTD-KRWDZBQOSA-N 2 0 357.458 0.423 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@@H]3CCC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522204 1259890212 /nfs/dbraw/zinc/89/02/12/1259890212.db2.gz MPPRKICVUGFVSD-MBOZVWFJSA-N 2 0 372.517 0.978 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001257218102 1260002954 /nfs/dbraw/zinc/00/29/54/1260002954.db2.gz YPPUVZPFJIOFBK-IEBWSBKVSA-N 2 0 366.550 0.970 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001331891267 1266301715 /nfs/dbraw/zinc/30/17/15/1266301715.db2.gz YGNFILPYUALQKB-IRXDYDNUSA-N 2 0 366.506 0.698 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C2CCC1CC2 ZINC001257605150 1260023670 /nfs/dbraw/zinc/02/36/70/1260023670.db2.gz WNASVOMJCPURSO-UHFFFAOYSA-N 2 0 371.485 0.863 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001261452279 1260141095 /nfs/dbraw/zinc/14/10/95/1260141095.db2.gz YVBGMVKJNTWJIW-KRWDZBQOSA-N 2 0 359.474 0.635 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500435 1260151755 /nfs/dbraw/zinc/15/17/55/1260151755.db2.gz RUBOIXGGBNIWGS-DNVCBOLYSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(CCCCC(=O)N[C@@H]1C[NH+]2CCC1CC2)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336614632 1260184620 /nfs/dbraw/zinc/18/46/20/1260184620.db2.gz IUIYJSWHKHTKSK-QZTJIDSGSA-N 2 0 362.518 0.968 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001261874697 1260205418 /nfs/dbraw/zinc/20/54/18/1260205418.db2.gz HOOFLDQKWXHGGA-CABCVRRESA-N 2 0 359.474 0.633 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001261891843 1260208313 /nfs/dbraw/zinc/20/83/13/1260208313.db2.gz QZYAHMIXTGDTSM-OAHLLOKOSA-N 2 0 372.469 0.670 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891286 1260208941 /nfs/dbraw/zinc/20/89/41/1260208941.db2.gz DEYGZZQWRFXSQG-GUYCJALGSA-N 2 0 372.469 0.655 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001336755359 1260215227 /nfs/dbraw/zinc/21/52/27/1260215227.db2.gz IBLBQBSXHHRMKZ-MAUKXSAKSA-N 2 0 358.527 0.878 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC001262066220 1260255189 /nfs/dbraw/zinc/25/51/89/1260255189.db2.gz VTNMKCPAWLDLJU-BRWVUGGUSA-N 2 0 367.538 0.008 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262095513 1260260140 /nfs/dbraw/zinc/26/01/40/1260260140.db2.gz VQXWALIIKZNGAJ-OKZBNKHCSA-N 2 0 367.538 0.470 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC001336964540 1260271096 /nfs/dbraw/zinc/27/10/96/1260271096.db2.gz ISCSWYFPDBUVTR-GOEBONIOSA-N 2 0 362.474 0.802 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001262198231 1260276178 /nfs/dbraw/zinc/27/61/78/1260276178.db2.gz IQDBMWIROUUAIZ-GOSISDBHSA-N 2 0 358.486 0.823 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001337003273 1260281719 /nfs/dbraw/zinc/28/17/19/1260281719.db2.gz CBUJVPXEMQASTQ-OXQOHEQNSA-N 2 0 374.485 0.998 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001337337397 1260374122 /nfs/dbraw/zinc/37/41/22/1260374122.db2.gz ANXRDEBMIFAOEM-GOSISDBHSA-N 2 0 374.485 0.044 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001337494618 1260415316 /nfs/dbraw/zinc/41/53/16/1260415316.db2.gz VOJHRDONSNYLCG-MRXNPFEDSA-N 2 0 373.501 0.976 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001272825054 1260511911 /nfs/dbraw/zinc/51/19/11/1260511911.db2.gz LIPUUJWUCCQUQI-MHORFTMASA-N 2 0 360.502 0.767 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001272825055 1260512121 /nfs/dbraw/zinc/51/21/21/1260512121.db2.gz LIPUUJWUCCQUQI-XWTMOSNGSA-N 2 0 360.502 0.767 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001273272236 1260644521 /nfs/dbraw/zinc/64/45/21/1260644521.db2.gz FSMMCSGFVXBRNI-NVXWUHKLSA-N 2 0 362.518 0.729 20 0 FCADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cc(C)nn3C)C[C@@H]12 ZINC001278272041 1260689170 /nfs/dbraw/zinc/68/91/70/1260689170.db2.gz DMHJMYFUUBKVIF-IRXDYDNUSA-N 2 0 361.490 0.387 20 0 FCADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001278273525 1260689213 /nfs/dbraw/zinc/68/92/13/1260689213.db2.gz YSMZUXAZZCRRAS-HZPDHXFCSA-N 2 0 360.458 0.446 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2CC[N@H+](CCN3CCOCC3)[C@@H]2C1 ZINC001279247208 1260811457 /nfs/dbraw/zinc/81/14/57/1260811457.db2.gz RKSCPVHLUCQJAL-GBESFXJTSA-N 2 0 362.518 0.336 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001279257714 1260814300 /nfs/dbraw/zinc/81/43/00/1260814300.db2.gz WOHBGQFCAHAULY-YZVOILCLSA-N 2 0 360.502 0.673 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001279307562 1260832928 /nfs/dbraw/zinc/83/29/28/1260832928.db2.gz AVGXJBRWFDZRJY-UHFFFAOYSA-N 2 0 363.462 0.654 20 0 FCADRP Cc1c(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)cnn1C ZINC001279352381 1260846414 /nfs/dbraw/zinc/84/64/14/1260846414.db2.gz YAQTUVYWNRJGAK-LJQANCHMSA-N 2 0 362.522 0.447 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001332254014 1266366731 /nfs/dbraw/zinc/36/67/31/1266366731.db2.gz UCKYXZSCAPCTHA-YESZJQIVSA-N 2 0 366.506 0.210 20 0 FCADRP C[NH+](C)CCN1CCC[C@]2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)CCO2 ZINC001279481058 1260877554 /nfs/dbraw/zinc/87/75/54/1260877554.db2.gz HPECQHIHGZLRDO-QUCCMNQESA-N 2 0 364.534 0.726 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3OCCN(C(=O)c4ncnn4C)[C@H]3C2)CC1 ZINC001279499418 1260879732 /nfs/dbraw/zinc/87/97/32/1260879732.db2.gz YOROGHYMZBEDGK-HOTGVXAUSA-N 2 0 362.478 0.072 20 0 FCADRP COC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)cn1C ZINC001279710164 1260918486 /nfs/dbraw/zinc/91/84/86/1260918486.db2.gz RTWDYESZSZISHV-GJZGRUSLSA-N 2 0 360.458 0.454 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCOCC3)nc1)C2 ZINC001279714613 1260919428 /nfs/dbraw/zinc/91/94/28/1260919428.db2.gz OAVZYIVWDDTEKS-MOPGFXCFSA-N 2 0 359.518 0.986 20 0 FCADRP CN1CCN(C(=O)C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)CC1 ZINC001280075280 1260992191 /nfs/dbraw/zinc/99/21/91/1260992191.db2.gz XYDANSINWYLDNM-UHFFFAOYSA-N 2 0 360.506 0.055 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280081401 1260994272 /nfs/dbraw/zinc/99/42/72/1260994272.db2.gz RCAWOKOVFISVPU-ABSDTBQOSA-N 2 0 362.518 0.920 20 0 FCADRP Cc1cccnc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280101732 1261003192 /nfs/dbraw/zinc/00/31/92/1261003192.db2.gz LZOFHVIOKOXVPQ-IAGOWNOFSA-N 2 0 357.502 0.968 20 0 FCADRP C[NH+]1CCC(CN2CC3(C2)CC[C@H](C(=O)NC2CC[NH+](C)CC2)O3)CC1 ZINC001280126757 1261011753 /nfs/dbraw/zinc/01/17/53/1261011753.db2.gz ZLEZGRXEUIBSMK-GOSISDBHSA-N 2 0 364.534 0.772 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](C[C@H]2CCCOC2)C3)CC1 ZINC001280135519 1261013345 /nfs/dbraw/zinc/01/33/45/1261013345.db2.gz JIZLZGVDSCMTMR-SJLPKXTDSA-N 2 0 365.518 0.962 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280211582 1261033629 /nfs/dbraw/zinc/03/36/29/1261033629.db2.gz XGNIWONHWJBUNX-HNAYVOBHSA-N 2 0 358.490 0.817 20 0 FCADRP Cn1ccnc1NC(=O)C1=NO[C@@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@H]12 ZINC001280211522 1261033860 /nfs/dbraw/zinc/03/38/60/1261033860.db2.gz VWBHQNLRVSTZSD-UONOGXRCSA-N 2 0 360.462 0.777 20 0 FCADRP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)CC1 ZINC001280210727 1261034317 /nfs/dbraw/zinc/03/43/17/1261034317.db2.gz HCELEFCTSBKDDI-KRWDZBQOSA-N 2 0 365.518 0.819 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280211033 1261034527 /nfs/dbraw/zinc/03/45/27/1261034527.db2.gz MAZUSAZQCNSYFO-KURKYZTESA-N 2 0 365.518 0.960 20 0 FCADRP C[NH+](C)CCN1Cc2ccnn2CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280219492 1261037946 /nfs/dbraw/zinc/03/79/46/1261037946.db2.gz TTXOQDHMWLLJRZ-GOSISDBHSA-N 2 0 362.522 0.572 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001280246482 1261041920 /nfs/dbraw/zinc/04/19/20/1261041920.db2.gz ZWWBRHOLRMIVNJ-PKOBYXMFSA-N 2 0 359.518 0.931 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001281629990 1261128595 /nfs/dbraw/zinc/12/85/95/1261128595.db2.gz RQCLZTSZLQHXLM-BBWFWOEESA-N 2 0 364.534 0.974 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281890800 1261260848 /nfs/dbraw/zinc/26/08/48/1261260848.db2.gz ORXFBDVVSKWLTH-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281890799 1261261153 /nfs/dbraw/zinc/26/11/53/1261261153.db2.gz ORXFBDVVSKWLTH-IKGGRYGDSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001345185803 1261648193 /nfs/dbraw/zinc/64/81/93/1261648193.db2.gz MGONTOIDFUMZHA-OAHLLOKOSA-N 2 0 368.522 0.640 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCCCO1 ZINC001345576489 1261744059 /nfs/dbraw/zinc/74/40/59/1261744059.db2.gz DHVRNSGNKALFNQ-UHFFFAOYSA-N 2 0 361.446 0.264 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC001290540239 1262468178 /nfs/dbraw/zinc/46/81/78/1262468178.db2.gz SNUSEHYIGCEYAV-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP [NH3+][C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001580369315 1278178203 /nfs/dbraw/zinc/17/82/03/1278178203.db2.gz XHRWWAVWJZGGJZ-OALUTQOASA-N 2 0 354.454 0.834 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001312013344 1263271265 /nfs/dbraw/zinc/27/12/65/1263271265.db2.gz RCVRURQXNJWFBA-ZWKOTPCHSA-N 2 0 368.522 0.776 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001316757105 1263461727 /nfs/dbraw/zinc/46/17/27/1263461727.db2.gz OZCOJIYJKINWQT-MSOLQXFVSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001484567977 1263478638 /nfs/dbraw/zinc/47/86/38/1263478638.db2.gz BNJOFLGOFRVVTP-QBPKDAKJSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385625 1278205684 /nfs/dbraw/zinc/20/56/84/1278205684.db2.gz QSJSVFIJSOKBII-MGPQQGTHSA-N 2 0 370.461 0.284 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494058031 1263749728 /nfs/dbraw/zinc/74/97/28/1263749728.db2.gz MXFYGZAUQAUCFD-OXGONZEZSA-N 2 0 356.486 0.770 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC(F)(F)F ZINC001495669522 1263833491 /nfs/dbraw/zinc/83/34/91/1263833491.db2.gz RNXZJNNPRZVJTP-QJPTWQEYSA-N 2 0 352.401 0.347 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC001320952846 1263885849 /nfs/dbraw/zinc/88/58/49/1263885849.db2.gz OMAVHHLGBDPFNJ-KGLIPLIRSA-N 2 0 362.478 0.687 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001321521477 1263982178 /nfs/dbraw/zinc/98/21/78/1263982178.db2.gz RJQIQZXDSVKZTP-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)COC1 ZINC001321806573 1264068656 /nfs/dbraw/zinc/06/86/56/1264068656.db2.gz QXYMGMPKWPSABA-SYMSYNOKSA-N 2 0 366.506 0.012 20 0 FCADRP CCOCc1nnc(N2CC[NH+](CC)[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503112647 1264193932 /nfs/dbraw/zinc/19/39/32/1264193932.db2.gz IXLJJEKCBFBZPQ-MAUKXSAKSA-N 2 0 366.510 0.412 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580402116 1278230798 /nfs/dbraw/zinc/23/07/98/1278230798.db2.gz GBSAOWDAZFYUJI-UKRRQHHQSA-N 2 0 357.462 0.803 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H](C)[NH3+])c1 ZINC001333627388 1266656474 /nfs/dbraw/zinc/65/64/74/1266656474.db2.gz XRMTVCDALSOKDF-AWEZNQCLSA-N 2 0 350.463 0.439 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC001323850392 1264528526 /nfs/dbraw/zinc/52/85/26/1264528526.db2.gz CHDCOGYMOPKLQU-VYDXJSESSA-N 2 0 373.501 0.800 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001512982331 1264793946 /nfs/dbraw/zinc/79/39/46/1264793946.db2.gz XAAJHWVHPUCTCD-BRWVUGGUSA-N 2 0 366.506 0.031 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001325639600 1264954861 /nfs/dbraw/zinc/95/48/61/1264954861.db2.gz PTLUELCJQDCTOK-HXUWFJFHSA-N 2 0 373.501 0.883 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001325728352 1264981219 /nfs/dbraw/zinc/98/12/19/1264981219.db2.gz GGYUIJASVMIESI-JKSUJKDBSA-N 2 0 373.501 0.263 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCN(c3cc[nH+]cc3)CC1)CC[NH2+]CC2 ZINC001326139788 1265064420 /nfs/dbraw/zinc/06/44/20/1265064420.db2.gz BURJLWCRQUBIFI-MRXNPFEDSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC001326185230 1265074529 /nfs/dbraw/zinc/07/45/29/1265074529.db2.gz AWKYQYIUBXZVDP-BJWYYQGGSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580408201 1278246593 /nfs/dbraw/zinc/24/65/93/1278246593.db2.gz FHJCQDBXUPIEDA-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001327104192 1265236715 /nfs/dbraw/zinc/23/67/15/1265236715.db2.gz FGEYJJUMKORRSB-IAGOWNOFSA-N 2 0 363.506 0.513 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001327465934 1265331519 /nfs/dbraw/zinc/33/15/19/1265331519.db2.gz RNIXEJJKFNRMSK-SJORKVTESA-N 2 0 367.538 0.118 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327487809 1265339386 /nfs/dbraw/zinc/33/93/86/1265339386.db2.gz WSZSWDWQJNZZSV-QGZVFWFLSA-N 2 0 358.442 0.598 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC001522447096 1266556605 /nfs/dbraw/zinc/55/66/05/1266556605.db2.gz SHORFIXMJAUEKA-AEFFLSMTSA-N 2 0 362.474 0.658 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001333403361 1266593316 /nfs/dbraw/zinc/59/33/16/1266593316.db2.gz KFQFDQZDBLPCBQ-JYJNAYRXSA-N 2 0 366.506 0.237 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001333550024 1266628211 /nfs/dbraw/zinc/62/82/11/1266628211.db2.gz UQVIERPAQSUIHF-QZTJIDSGSA-N 2 0 370.497 0.965 20 0 FCADRP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575037 1266636363 /nfs/dbraw/zinc/63/63/63/1266636363.db2.gz RBDDXEWBODYEDN-XHSDSOJGSA-N 2 0 350.463 0.597 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333618451 1266652759 /nfs/dbraw/zinc/65/27/59/1266652759.db2.gz NBOOMKVPUDYRRP-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636431 1266660898 /nfs/dbraw/zinc/66/08/98/1266660898.db2.gz SFWSZDSAESRRLH-ZWKOTPCHSA-N 2 0 369.469 0.650 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+](C)CCCO)CC1 ZINC001333703735 1266683599 /nfs/dbraw/zinc/68/35/99/1266683599.db2.gz RLDMMQSARBNKAR-MRXNPFEDSA-N 2 0 351.499 0.440 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001333736938 1266697232 /nfs/dbraw/zinc/69/72/32/1266697232.db2.gz WNIAFSRICBTUAM-UHFFFAOYSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001526629420 1266824354 /nfs/dbraw/zinc/82/43/54/1266824354.db2.gz OMSQEGSJPSESKZ-IIAWOOMASA-N 2 0 364.494 0.019 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001528095399 1266943384 /nfs/dbraw/zinc/94/33/84/1266943384.db2.gz VWLIGWRKOBBSLT-ATZDWAIDSA-N 2 0 358.486 0.258 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001335138260 1267357608 /nfs/dbraw/zinc/35/76/08/1267357608.db2.gz SIZMPLJVJJEWDD-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001543224372 1267532810 /nfs/dbraw/zinc/53/28/10/1267532810.db2.gz AGLGLXLWRGBJTE-MJGOQNOKSA-N 2 0 362.522 0.965 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3C(N)=O)CC2)CC1 ZINC001548378529 1267690164 /nfs/dbraw/zinc/69/01/64/1267690164.db2.gz IXKHOQULZHGZJQ-AEFFLSMTSA-N 2 0 366.506 0.189 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)nn1 ZINC001549045834 1267794646 /nfs/dbraw/zinc/79/46/46/1267794646.db2.gz ALNHCDYADDEVBG-WMLDXEAASA-N 2 0 372.429 0.101 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@@H]2[NH3+])cn1 ZINC001549074332 1267799279 /nfs/dbraw/zinc/79/92/79/1267799279.db2.gz QTMYBDOWCQJVDP-SJORKVTESA-N 2 0 361.490 0.708 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC001549213614 1267858794 /nfs/dbraw/zinc/85/87/94/1267858794.db2.gz CXANXFFFWQIQHD-CABCVRRESA-N 2 0 356.430 0.586 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3C[NH2+]CC[C@H]3c3ccccc3)CCN2C1=O ZINC001549215377 1267859050 /nfs/dbraw/zinc/85/90/50/1267859050.db2.gz QTQIAFXXOVLZDZ-TWMKSMIVSA-N 2 0 357.458 0.086 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[NH2+]C[C@@H]3C(F)(F)F)n2)C1 ZINC001549726195 1267979752 /nfs/dbraw/zinc/97/97/52/1267979752.db2.gz DOXJYTURSDBSKY-RTXFEEFZSA-N 2 0 357.380 0.633 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@H]2[NH3+])c1 ZINC001549737995 1267984106 /nfs/dbraw/zinc/98/41/06/1267984106.db2.gz PJQVIOMVYOLKMU-CHWSQXEVSA-N 2 0 360.487 0.911 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001549776897 1267996984 /nfs/dbraw/zinc/99/69/84/1267996984.db2.gz SNSYREVUTIBUKZ-HOTGVXAUSA-N 2 0 356.467 0.481 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338687999 1268041850 /nfs/dbraw/zinc/04/18/50/1268041850.db2.gz QSVXNNYFLCXYCS-RBUKOAKNSA-N 2 0 357.502 0.843 20 0 FCADRP Cc1c(C(=O)N[C@H]2C[NH2+]C[C@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC001550073989 1268069424 /nfs/dbraw/zinc/06/94/24/1268069424.db2.gz YQYQFZZESQNOOE-IRXDYDNUSA-N 2 0 354.458 0.996 20 0 FCADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090079 1268072026 /nfs/dbraw/zinc/07/20/26/1268072026.db2.gz MVOOSQGABVJCOH-CVEARBPZSA-N 2 0 362.478 0.433 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCc2cccc3c2CC[NH2+]C3)cnn1C ZINC001550091513 1268073985 /nfs/dbraw/zinc/07/39/85/1268073985.db2.gz REHHQOMBQSWOGQ-RBUKOAKNSA-N 2 0 353.470 0.994 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cnn1C ZINC001550114884 1268076740 /nfs/dbraw/zinc/07/67/40/1268076740.db2.gz BTORTELWRDMUKV-NZSAHSFTSA-N 2 0 353.470 0.862 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116794 1268079575 /nfs/dbraw/zinc/07/95/75/1268079575.db2.gz RVCDWJQJVUJLEP-IAGOWNOFSA-N 2 0 360.506 0.578 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC001550200370 1268091110 /nfs/dbraw/zinc/09/11/10/1268091110.db2.gz DZOZUGRDVVYESF-RDJZCZTQSA-N 2 0 370.457 0.998 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@@H]2[NH3+])cn1 ZINC001550286126 1268103584 /nfs/dbraw/zinc/10/35/84/1268103584.db2.gz LZHYHZWGAVBNCZ-JYJNAYRXSA-N 2 0 362.478 0.015 20 0 FCADRP O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001550285482 1268103867 /nfs/dbraw/zinc/10/38/67/1268103867.db2.gz QNDRMVQELSKYIV-KBPBESRZSA-N 2 0 369.416 0.866 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001550315791 1268105097 /nfs/dbraw/zinc/10/50/97/1268105097.db2.gz AMQJFDHTQNCDAI-ZWKOTPCHSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC001550478240 1268124700 /nfs/dbraw/zinc/12/47/00/1268124700.db2.gz MIKBSILUEBSNEG-RUENVJTFSA-N 2 0 363.506 0.654 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H](O)C2 ZINC001550484895 1268127836 /nfs/dbraw/zinc/12/78/36/1268127836.db2.gz MFHGDEAXETVDQY-YLAKUSLOSA-N 2 0 367.534 0.941 20 0 FCADRP COCCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338966373 1268131997 /nfs/dbraw/zinc/13/19/97/1268131997.db2.gz WHSOBSDGRIXJTO-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001338983806 1268139021 /nfs/dbraw/zinc/13/90/21/1268139021.db2.gz SUNFFHJKDNCDOA-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)C[C@H]21 ZINC001550745787 1268160355 /nfs/dbraw/zinc/16/03/55/1268160355.db2.gz UKSMAAIMJOBTIL-ICBNADEASA-N 2 0 358.486 0.839 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C(F)(F)F ZINC001550757835 1268162843 /nfs/dbraw/zinc/16/28/43/1268162843.db2.gz QEOKMEIXXBZKOA-GRYCIOLGSA-N 2 0 350.385 0.676 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913693 1268184048 /nfs/dbraw/zinc/18/40/48/1268184048.db2.gz PAONFYGXTHJULW-BQFCYCMXSA-N 2 0 351.491 0.951 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913115 1268184442 /nfs/dbraw/zinc/18/44/42/1268184442.db2.gz JRNAKUKEVNOGBT-SOLBZPMBSA-N 2 0 351.491 0.809 20 0 FCADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551159374 1268209907 /nfs/dbraw/zinc/20/99/07/1268209907.db2.gz PSPDVSRFFCMUNN-NKELODKYSA-N 2 0 353.507 0.983 20 0 FCADRP C[N@@H+]1C[C@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229808 1268214865 /nfs/dbraw/zinc/21/48/65/1268214865.db2.gz RUTBSVIRKXDVAA-WJFTUGDTSA-N 2 0 358.486 0.792 20 0 FCADRP C[C@H](O)CN1CCN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001551279657 1268220482 /nfs/dbraw/zinc/22/04/82/1268220482.db2.gz DNGARMVWFFBVMI-MUYFXNHWSA-N 2 0 368.522 0.728 20 0 FCADRP CNC(=O)[C@@]12C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@@H]1COCC2 ZINC001551427899 1268245437 /nfs/dbraw/zinc/24/54/37/1268245437.db2.gz VCTGNEQPTMXVGX-BEFAXECRSA-N 2 0 366.506 0.060 20 0 FCADRP [NH3+][C@@]1(CO)CCCN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001551467051 1268256685 /nfs/dbraw/zinc/25/66/85/1268256685.db2.gz BSOAPYBKBCYCBF-IBGZPJMESA-N 2 0 361.490 0.087 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551471754 1268257700 /nfs/dbraw/zinc/25/77/00/1268257700.db2.gz XCLJELFCLBWNGX-OWCLPIDISA-N 2 0 354.495 0.242 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC001551469178 1268258062 /nfs/dbraw/zinc/25/80/62/1268258062.db2.gz WWMGUFKBASCDJG-RTBURBONSA-N 2 0 357.502 0.985 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551547585 1268264895 /nfs/dbraw/zinc/26/48/95/1268264895.db2.gz DOXMQLIORWJUMS-BWRBCVJASA-N 2 0 363.506 0.594 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001551555739 1268267933 /nfs/dbraw/zinc/26/79/33/1268267933.db2.gz ONTYRSYMSZJPKZ-FQLMCAECSA-N 2 0 355.458 0.023 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551564958 1268272659 /nfs/dbraw/zinc/27/26/59/1268272659.db2.gz VGQUAUCNCGFNHG-YSVLISHTSA-N 2 0 351.495 0.226 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001551574838 1268274347 /nfs/dbraw/zinc/27/43/47/1268274347.db2.gz DJQNYXKQRNUELX-SJLPKXTDSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551575642 1268274930 /nfs/dbraw/zinc/27/49/30/1268274930.db2.gz GIWGZAPEGZBNDP-YQQAZPJKSA-N 2 0 351.495 0.273 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551583729 1268278423 /nfs/dbraw/zinc/27/84/23/1268278423.db2.gz WMPXLXOZVPZMDW-XYJFISCASA-N 2 0 365.522 0.757 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551588794 1268279607 /nfs/dbraw/zinc/27/96/07/1268279607.db2.gz GSOZZCNTCZMPCW-AEFFLSMTSA-N 2 0 365.522 0.616 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551592797 1268280853 /nfs/dbraw/zinc/28/08/53/1268280853.db2.gz NAVGZTLXIWXONO-QRTARXTBSA-N 2 0 351.495 0.226 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597765 1268281928 /nfs/dbraw/zinc/28/19/28/1268281928.db2.gz WZDIGDLXMARNRE-SJLPKXTDSA-N 2 0 365.522 0.664 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597264 1268282014 /nfs/dbraw/zinc/28/20/14/1268282014.db2.gz UWZRHKAALZKPMF-WMZOPIPTSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551598295 1268282902 /nfs/dbraw/zinc/28/29/02/1268282902.db2.gz XDBZOYURQTXKIQ-SJLPKXTDSA-N 2 0 365.522 0.805 20 0 FCADRP CN(CC(C)(C)CN1CCOCC1)c1nnc(C2=[NH+]O[C@@H](CO)C2)n1C ZINC001339791700 1268330957 /nfs/dbraw/zinc/33/09/57/1268330957.db2.gz ZNCWEFQCDRQCSO-CYBMUJFWSA-N 2 0 366.466 0.095 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001552013508 1268352835 /nfs/dbraw/zinc/35/28/35/1268352835.db2.gz SYKMQEDIJRSBJB-BSDSXHPESA-N 2 0 366.506 0.744 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)nn1 ZINC001552167298 1268398967 /nfs/dbraw/zinc/39/89/67/1268398967.db2.gz YKVXLAAJEOFVIY-DOTOQJQBSA-N 2 0 364.494 0.311 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)nn1 ZINC001552169134 1268400744 /nfs/dbraw/zinc/40/07/44/1268400744.db2.gz WUPKENDVFRXEBV-ZMSDIMECSA-N 2 0 362.478 0.067 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201577 1268408185 /nfs/dbraw/zinc/40/81/85/1268408185.db2.gz SJEMELYHINMSSY-XLIONFOSSA-N 2 0 359.470 0.496 20 0 FCADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[NH+](Cc2ccccc2)CC1 ZINC001552205525 1268409757 /nfs/dbraw/zinc/40/97/57/1268409757.db2.gz ZQDJGMVBGAFXQZ-XLIONFOSSA-N 3 0 358.486 0.332 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001552214956 1268412281 /nfs/dbraw/zinc/41/22/81/1268412281.db2.gz XIJAICLKNRELRX-ZIAGYGMSSA-N 2 0 364.450 0.036 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cnn1C ZINC001552215128 1268412588 /nfs/dbraw/zinc/41/25/88/1268412588.db2.gz CDHOJRXLAHGJHC-NJAFHUGGSA-N 2 0 361.490 0.401 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H]2C[NH2+]CCOC2)cc1F ZINC001552216532 1268413643 /nfs/dbraw/zinc/41/36/43/1268413643.db2.gz OZFFROLMVOQMNE-IJEWVQPXSA-N 2 0 351.422 0.632 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cnn1C ZINC001552273683 1268429057 /nfs/dbraw/zinc/42/90/57/1268429057.db2.gz BAZQTSQUIMSXNT-IRXDYDNUSA-N 3 0 369.473 0.475 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cnn1C ZINC001552273680 1268429108 /nfs/dbraw/zinc/42/91/08/1268429108.db2.gz BAZQTSQUIMSXNT-IAGOWNOFSA-N 3 0 369.473 0.475 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cnn1C ZINC001552272975 1268429428 /nfs/dbraw/zinc/42/94/28/1268429428.db2.gz IUUREWYHEBNJLB-DOERSZECSA-N 2 0 359.396 0.627 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340111738 1268438776 /nfs/dbraw/zinc/43/87/76/1268438776.db2.gz HXVGLSUILHUETB-OAQYLSRUSA-N 2 0 374.529 0.945 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)C3=NOC4(C3)CC[NH2+]CC4)ccn2)CC1 ZINC001340112097 1268440145 /nfs/dbraw/zinc/44/01/45/1268440145.db2.gz MHQHELYFDBYABQ-UHFFFAOYSA-N 2 0 372.473 0.348 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340154264 1268453270 /nfs/dbraw/zinc/45/32/70/1268453270.db2.gz HZBWFNAPEIRSKC-DOTOQJQBSA-N 2 0 354.495 0.236 20 0 FCADRP Cc1c(C(=O)N2C[C@H]([NH3+])[C@H](c3cccc(F)c3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552429734 1268461099 /nfs/dbraw/zinc/46/10/99/1268461099.db2.gz BOUZPQOLRGSDLA-JYJNAYRXSA-N 2 0 358.421 0.827 20 0 FCADRP O=C(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)c1cnnn1C1CC[NH2+]CC1 ZINC001552441181 1268465822 /nfs/dbraw/zinc/46/58/22/1268465822.db2.gz GJISCWCJWDDPRB-MRXNPFEDSA-N 2 0 371.445 0.268 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC)C1 ZINC001340212465 1268471871 /nfs/dbraw/zinc/47/18/71/1268471871.db2.gz HHUOEXIOIDHZML-ZIAGYGMSSA-N 2 0 350.467 0.951 20 0 FCADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001552553363 1268475951 /nfs/dbraw/zinc/47/59/51/1268475951.db2.gz AJAGPKKCBLOGHS-CABCVRRESA-N 2 0 363.510 0.658 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC001340251497 1268486747 /nfs/dbraw/zinc/48/67/47/1268486747.db2.gz XZVBPHVBBXVDAI-XJKSGUPXSA-N 2 0 359.474 0.264 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)[NH+]1CCC(C)CC1 ZINC001552603828 1268487651 /nfs/dbraw/zinc/48/76/51/1268487651.db2.gz VNEAYMBVLDDSPE-ZACQAIPSSA-N 2 0 363.510 0.895 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001552652796 1268509976 /nfs/dbraw/zinc/50/99/76/1268509976.db2.gz OOIFKABZYOFCFT-KGLIPLIRSA-N 2 0 361.454 0.055 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nn1 ZINC001552701107 1268523601 /nfs/dbraw/zinc/52/36/01/1268523601.db2.gz NPXINLYZJYEUNE-BFYDXBDKSA-N 2 0 362.478 0.704 20 0 FCADRP O=C(CNC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC001552819858 1268555824 /nfs/dbraw/zinc/55/58/24/1268555824.db2.gz YRQKJOHDDWZRBW-GJZGRUSLSA-N 2 0 350.850 0.191 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C(F)F)C[C@H]12 ZINC001552836324 1268556891 /nfs/dbraw/zinc/55/68/91/1268556891.db2.gz CLIBYCUNYBXDIO-ADEWGFFLSA-N 2 0 354.405 0.950 20 0 FCADRP [NH3+]C[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)C(F)(F)F ZINC001552842511 1268557945 /nfs/dbraw/zinc/55/79/45/1268557945.db2.gz AHDYGEFMWQOPAF-ZETCQYMHSA-N 2 0 356.299 0.760 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552840020 1268558388 /nfs/dbraw/zinc/55/83/88/1268558388.db2.gz YQEQEFRGSOJDFI-QWRGUYRKSA-N 2 0 358.393 0.153 20 0 FCADRP [NH3+][C@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC001552914532 1268565199 /nfs/dbraw/zinc/56/51/99/1268565199.db2.gz RSZQFTFIXQYNOV-WMZOPIPTSA-N 2 0 359.474 0.460 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(CN3CC[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924520 1268566445 /nfs/dbraw/zinc/56/64/45/1268566445.db2.gz CBHHVNBVBJYRLP-MOPGFXCFSA-N 2 0 364.534 0.931 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552954960 1268569558 /nfs/dbraw/zinc/56/95/58/1268569558.db2.gz PHTHSZQPGMDJSC-OAHLLOKOSA-N 2 0 351.495 0.644 20 0 FCADRP Cc1c(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359298 1268637917 /nfs/dbraw/zinc/63/79/17/1268637917.db2.gz LWRIZGIWGLQGBH-FOIQADDNSA-N 2 0 369.469 0.964 20 0 FCADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372427 1268639549 /nfs/dbraw/zinc/63/95/49/1268639549.db2.gz JBEYLOXEUFGHOM-URLQWDBASA-N 2 0 354.458 0.986 20 0 FCADRP C[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001553425617 1268648129 /nfs/dbraw/zinc/64/81/29/1268648129.db2.gz FPRWMALCPQSHSP-RYQLBKOJSA-N 2 0 365.522 0.317 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[C@]4([NH3+])C3)cn2)CC1 ZINC001553429178 1268649123 /nfs/dbraw/zinc/64/91/23/1268649123.db2.gz VUHNUWKMWQLTMT-LPHOPBHVSA-N 2 0 358.490 0.856 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553444967 1268651932 /nfs/dbraw/zinc/65/19/32/1268651932.db2.gz YBDQUKRFDUFHGS-FUHWJXTLSA-N 2 0 372.517 0.974 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001553451184 1268653059 /nfs/dbraw/zinc/65/30/59/1268653059.db2.gz AYCFPMJRGXYQRS-DOTOQJQBSA-N 2 0 366.506 0.555 20 0 FCADRP CC(C[NH+]1CCC2(CNC(=O)O2)CC1)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001340803811 1268664649 /nfs/dbraw/zinc/66/46/49/1268664649.db2.gz QARIJYMFXQATJG-UHFFFAOYSA-N 2 0 366.462 0.771 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)NC[C@@]34CCC[C@H]3[NH2+]CC4)n2)C1 ZINC001553535070 1268666039 /nfs/dbraw/zinc/66/60/39/1268666039.db2.gz YUDBSAIDHIOJKA-OGWOLHLISA-N 2 0 358.490 0.950 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]C[C@H]2F)CC1 ZINC001553546276 1268666973 /nfs/dbraw/zinc/66/69/73/1268666973.db2.gz GKJIUOAXJMXSOU-HUUCEWRRSA-N 2 0 369.485 0.592 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCCC[C@H]3[C@@H]2[C@H]3[NH3+])CC1 ZINC001553555494 1268669647 /nfs/dbraw/zinc/66/96/47/1268669647.db2.gz IZNWZQSFYMGMTD-OWCLPIDISA-N 2 0 363.506 0.724 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC001340892414 1268696933 /nfs/dbraw/zinc/69/69/33/1268696933.db2.gz GFNXKOWEELZPQJ-GOSISDBHSA-N 2 0 361.490 0.155 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001341102981 1268785334 /nfs/dbraw/zinc/78/53/34/1268785334.db2.gz LOCNEZOIBHTQSE-ZWKOTPCHSA-N 2 0 371.485 0.548 20 0 FCADRP O=S1(=O)CCC(O)(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC001341185435 1268844124 /nfs/dbraw/zinc/84/41/24/1268844124.db2.gz BYHTWQUDGJTHIJ-UHFFFAOYSA-N 2 0 360.520 0.503 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244082 1268885645 /nfs/dbraw/zinc/88/56/45/1268885645.db2.gz LNEAHALVTUESEB-KDOFPFPSSA-N 2 0 372.469 0.922 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)[NH+](C)C ZINC001341500089 1269034959 /nfs/dbraw/zinc/03/49/59/1269034959.db2.gz IXHCAPBOFKMVKS-JFIYKMOQSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341527245 1269056267 /nfs/dbraw/zinc/05/62/67/1269056267.db2.gz VHAHJIDYVALVSO-HXUWFJFHSA-N 2 0 371.485 0.584 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCN2C)c1 ZINC001341551595 1269074950 /nfs/dbraw/zinc/07/49/50/1269074950.db2.gz INRGCHQZOOQQTG-QGZVFWFLSA-N 2 0 361.490 0.600 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341585853 1269095844 /nfs/dbraw/zinc/09/58/44/1269095844.db2.gz NTTHVCVJKULRFT-UIBIWLFHSA-N 2 0 368.522 0.576 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001341616704 1269112171 /nfs/dbraw/zinc/11/21/71/1269112171.db2.gz ACFAKDFLOBPVFB-YWZLYKJASA-N 2 0 359.470 0.976 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1=O ZINC001342082627 1269337636 /nfs/dbraw/zinc/33/76/36/1269337636.db2.gz XOBLVJXCWFPOSZ-QGZVFWFLSA-N 2 0 372.513 0.916 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(C)c(=O)c1 ZINC001563333069 1269380393 /nfs/dbraw/zinc/38/03/93/1269380393.db2.gz FPGIZKCXWZANBJ-OAHLLOKOSA-N 2 0 350.467 0.660 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037538 1269405485 /nfs/dbraw/zinc/40/54/85/1269405485.db2.gz OIOBTCXPTJPQAC-IRXDYDNUSA-N 2 0 355.527 0.016 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC001566538868 1269650820 /nfs/dbraw/zinc/65/08/20/1269650820.db2.gz MEHJCTDWWAANTJ-GOSISDBHSA-N 2 0 366.550 0.972 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342935844 1269687640 /nfs/dbraw/zinc/68/76/40/1269687640.db2.gz GGCIFKPMAQFQOR-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036087 1269742537 /nfs/dbraw/zinc/74/25/37/1269742537.db2.gz CDSBDJKADROFNE-KBXCAEBGSA-N 2 0 372.469 0.922 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1)[NH+](C)C ZINC001343108891 1269776787 /nfs/dbraw/zinc/77/67/87/1269776787.db2.gz JJENTKPXTCKOBT-OWCLPIDISA-N 2 0 370.538 0.647 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)cc1 ZINC001344437166 1270180113 /nfs/dbraw/zinc/18/01/13/1270180113.db2.gz OFXHCXYVMHJKSL-NVAPOSRTSA-N 2 0 358.442 0.636 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)CC1 ZINC001572851471 1270262914 /nfs/dbraw/zinc/26/29/14/1270262914.db2.gz WFBXSLKQFUXJET-IAGOWNOFSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001344890876 1270269777 /nfs/dbraw/zinc/26/97/77/1270269777.db2.gz COFDJLGDLXJYFE-OAHLLOKOSA-N 2 0 362.478 0.951 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607786 1278566391 /nfs/dbraw/zinc/56/63/91/1278566391.db2.gz AOIAWXRNMRGQLQ-HUUCEWRRSA-N 2 0 353.532 0.967 20 0 FCADRP O=C(NC[C@@]1(O)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001580635364 1278596365 /nfs/dbraw/zinc/59/63/65/1278596365.db2.gz NLXGMUGCIDUZEG-NVXWUHKLSA-N 2 0 353.413 0.984 20 0 FCADRP CC(C)[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[NH+](C)C ZINC001573977400 1270972838 /nfs/dbraw/zinc/97/28/38/1270972838.db2.gz MVDYZKVLWJXCPN-HNNXBMFYSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574260585 1271131584 /nfs/dbraw/zinc/13/15/84/1271131584.db2.gz NAUBHFBLLXDWBO-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001574264986 1271140379 /nfs/dbraw/zinc/14/03/79/1271140379.db2.gz UYYOAZVUDGOZFD-VQFNDLOPSA-N 2 0 369.473 0.753 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288018 1271163454 /nfs/dbraw/zinc/16/34/54/1271163454.db2.gz DDLAVEUZZXVULT-XJKCOSOUSA-N 2 0 370.461 0.616 20 0 FCADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574606102 1271411970 /nfs/dbraw/zinc/41/19/70/1271411970.db2.gz FNKUVEKMRFPGMY-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574612465 1271419913 /nfs/dbraw/zinc/41/99/13/1271419913.db2.gz PLQMAMMGDKLSIR-CQSZACIVSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574672067 1271475471 /nfs/dbraw/zinc/47/54/71/1271475471.db2.gz SXSFLHJCDUGCDP-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574673128 1271477916 /nfs/dbraw/zinc/47/79/16/1271477916.db2.gz ZGZQYEALAZBKGW-ZDUSSCGKSA-N 2 0 374.493 0.968 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001580654891 1278637163 /nfs/dbraw/zinc/63/71/63/1278637163.db2.gz PUDHYEAJLYIDRK-LSDHHAIUSA-N 2 0 350.467 0.169 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001574783364 1271517935 /nfs/dbraw/zinc/51/79/35/1271517935.db2.gz BZMYVPRJTCGLAH-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574803230 1271539687 /nfs/dbraw/zinc/53/96/87/1271539687.db2.gz BQZHCGCOHZHDLZ-IHRRRGAJSA-N 2 0 372.477 0.933 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574830635 1271577726 /nfs/dbraw/zinc/57/77/26/1271577726.db2.gz HGNJWPLHACLGON-DOMZBBRYSA-N 2 0 360.466 0.434 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870695 1271621567 /nfs/dbraw/zinc/62/15/67/1271621567.db2.gz CTDYRYNZTRBANZ-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870885 1271621923 /nfs/dbraw/zinc/62/19/23/1271621923.db2.gz DYDRXZPWFUYXAM-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874716 1271627916 /nfs/dbraw/zinc/62/79/16/1271627916.db2.gz UPJLMKHEZGSDPR-SWLSCSKDSA-N 2 0 358.450 0.473 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874714 1271628197 /nfs/dbraw/zinc/62/81/97/1271628197.db2.gz UPJLMKHEZGSDPR-DOMZBBRYSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874826 1271629131 /nfs/dbraw/zinc/62/91/31/1271629131.db2.gz DVHZWCKLRIWVCF-YPMHNXCESA-N 2 0 361.425 0.552 20 0 FCADRP CC(C)(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH3+])CC1 ZINC001575139201 1271742281 /nfs/dbraw/zinc/74/22/81/1271742281.db2.gz JSFWCIYDILNCOV-UHFFFAOYSA-N 2 0 372.477 0.805 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575380869 1272023446 /nfs/dbraw/zinc/02/34/46/1272023446.db2.gz XZZJLSQZCWMKLA-RYUDHWBXSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC12CC[NH+]([C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)CC2 ZINC001575524984 1272178681 /nfs/dbraw/zinc/17/86/81/1272178681.db2.gz XISONDVIVOIBDB-JYJNAYRXSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@H](C[NH2+]CCc1cn[nH]n1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575613361 1272236259 /nfs/dbraw/zinc/23/62/59/1272236259.db2.gz SYRRLDIGEAJIPF-CQSZACIVSA-N 2 0 352.483 0.142 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1CC1([NH+](C)C)CCC1 ZINC001575716253 1272359401 /nfs/dbraw/zinc/35/94/01/1272359401.db2.gz OEFOZVXPKOUXHR-AWEZNQCLSA-N 2 0 363.510 0.828 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001576044988 1272769716 /nfs/dbraw/zinc/76/97/16/1272769716.db2.gz JJOBEYISXUTLMI-QWHCGFSZSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576112481 1272902352 /nfs/dbraw/zinc/90/23/52/1272902352.db2.gz WFLYKFLHOZYUOH-HOTGVXAUSA-N 2 0 360.506 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576112482 1272903111 /nfs/dbraw/zinc/90/31/11/1272903111.db2.gz WFLYKFLHOZYUOH-HZPDHXFCSA-N 2 0 360.506 0.907 20 0 FCADRP C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC001576126631 1272923277 /nfs/dbraw/zinc/92/32/77/1272923277.db2.gz DKNKDDCOIZQEMT-ILXRZTDVSA-N 2 0 363.510 0.638 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576245954 1273024481 /nfs/dbraw/zinc/02/44/81/1273024481.db2.gz KEBNZUGQGAKFAV-JSGCOSHPSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@H](C(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576485139 1273329442 /nfs/dbraw/zinc/32/94/42/1273329442.db2.gz YHNNMBKCQXGDLC-HZPDHXFCSA-N 2 0 372.477 0.673 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486564 1273334959 /nfs/dbraw/zinc/33/49/59/1273334959.db2.gz XOEVFQARPKDYDD-HOTGVXAUSA-N 2 0 350.467 0.039 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492723 1273352440 /nfs/dbraw/zinc/35/24/40/1273352440.db2.gz RNSYKDHOFFAAGI-CJNGLKHVSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576500569 1273365403 /nfs/dbraw/zinc/36/54/03/1273365403.db2.gz YNQNLCHBQAYZHQ-TZMCWYRMSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576505205 1273373456 /nfs/dbraw/zinc/37/34/56/1273373456.db2.gz FJWWUYKFIVIDAP-GDBMZVCRSA-N 2 0 374.493 0.967 20 0 FCADRP CC[C@H](C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576515905 1273396530 /nfs/dbraw/zinc/39/65/30/1273396530.db2.gz HVDBMVHWUWSCPI-KOHJWAIASA-N 2 0 358.450 0.331 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001576605956 1273475812 /nfs/dbraw/zinc/47/58/12/1273475812.db2.gz NUWLSWJKRRRHMX-MGLUKCQKSA-N 2 0 351.495 0.591 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748488 1273619780 /nfs/dbraw/zinc/61/97/80/1273619780.db2.gz XUBFTSPRQHBVFC-CBZIJGRNSA-N 2 0 360.506 0.858 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc3cn[nH]n3)C2)CC1 ZINC001576751754 1273623215 /nfs/dbraw/zinc/62/32/15/1273623215.db2.gz LIGGQIKPPLRYBD-CHWSQXEVSA-N 2 0 374.411 0.668 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1)CC(C)(C)C ZINC001576763129 1273639377 /nfs/dbraw/zinc/63/93/77/1273639377.db2.gz ZYMWUVACBVORSR-OAHLLOKOSA-N 2 0 364.494 0.285 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001576772777 1273652093 /nfs/dbraw/zinc/65/20/93/1273652093.db2.gz ROFUYCPARZGCCY-BRWVUGGUSA-N 2 0 353.511 0.032 20 0 FCADRP C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC[NH+]1CCCC1 ZINC001576798920 1273705308 /nfs/dbraw/zinc/70/53/08/1273705308.db2.gz ZAJGNTSIGAFUED-CABCVRRESA-N 2 0 361.494 0.465 20 0 FCADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576823069 1273745753 /nfs/dbraw/zinc/74/57/53/1273745753.db2.gz LNLFUTYTKDKYPO-HNNXBMFYSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576830543 1273756085 /nfs/dbraw/zinc/75/60/85/1273756085.db2.gz GYVGDLGROIMELG-RKVPGOIHSA-N 2 0 364.494 0.037 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849504 1273800107 /nfs/dbraw/zinc/80/01/07/1273800107.db2.gz GJOUMQPMLHRKJB-HUUCEWRRSA-N 2 0 361.494 0.536 20 0 FCADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001576855733 1273808704 /nfs/dbraw/zinc/80/87/04/1273808704.db2.gz WESWBYPQNIAODN-AWEZNQCLSA-N 2 0 350.467 0.342 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N(CC[NH2+]CCc2cn[nH]n2)Cc2ccccc2)C1 ZINC001576876834 1273858609 /nfs/dbraw/zinc/85/86/09/1273858609.db2.gz BFGQASVEZRKEIF-KRWDZBQOSA-N 2 0 356.474 0.917 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001576898189 1273898896 /nfs/dbraw/zinc/89/88/96/1273898896.db2.gz NPEJSVAKOSULBJ-GDBMZVCRSA-N 2 0 353.511 0.521 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902871 1273909589 /nfs/dbraw/zinc/90/95/89/1273909589.db2.gz GHEAOACJRZJPSZ-CVEARBPZSA-N 2 0 362.478 0.181 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001576995012 1274027686 /nfs/dbraw/zinc/02/76/86/1274027686.db2.gz HTSDZKDOXMQOTQ-LJISPDSOSA-N 2 0 363.510 0.525 20 0 FCADRP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001577142362 1274193593 /nfs/dbraw/zinc/19/35/93/1274193593.db2.gz ZPVNGNAANUOKCC-KDOFPFPSSA-N 2 0 360.506 0.906 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@H+](CCc1cn[nH]n1)C2 ZINC001577189723 1274237821 /nfs/dbraw/zinc/23/78/21/1274237821.db2.gz PLKFBSJBOPGEHZ-YSIASYRMSA-N 2 0 372.517 0.859 20 0 FCADRP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC001577296453 1274311882 /nfs/dbraw/zinc/31/18/82/1274311882.db2.gz PFWIQODYGQNWIP-GJYPPUQNSA-N 2 0 362.522 0.861 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577553535 1274492293 /nfs/dbraw/zinc/49/22/93/1274492293.db2.gz BHUOWZANTGRTFT-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558220 1274502454 /nfs/dbraw/zinc/50/24/54/1274502454.db2.gz DJJWKROACHNNMR-ZFWWWQNUSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577558673 1274504211 /nfs/dbraw/zinc/50/42/11/1274504211.db2.gz LKSSGEUDWDLWPU-UHFFFAOYSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577565157 1274519966 /nfs/dbraw/zinc/51/99/66/1274519966.db2.gz LDLGBBFIAGMNHZ-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577565350 1274520718 /nfs/dbraw/zinc/52/07/18/1274520718.db2.gz RJESHEULBKFFDW-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565406 1274522115 /nfs/dbraw/zinc/52/21/15/1274522115.db2.gz ULEPSOPTGFRNIX-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577565424 1274522282 /nfs/dbraw/zinc/52/22/82/1274522282.db2.gz VSRQPIRDDHQUQB-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573852 1274537740 /nfs/dbraw/zinc/53/77/40/1274537740.db2.gz FBECKGGSXJHCTM-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH2+]CCOC)C2)ccn1 ZINC001577654389 1274657789 /nfs/dbraw/zinc/65/77/89/1274657789.db2.gz CCHIQVUHNPUCES-KRWDZBQOSA-N 2 0 350.463 0.749 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672740 1274705260 /nfs/dbraw/zinc/70/52/60/1274705260.db2.gz ADXXCLPKKCDAHU-BBRMVZONSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC001577684865 1274738133 /nfs/dbraw/zinc/73/81/33/1274738133.db2.gz NKSPNFLMANGAKV-UHFFFAOYSA-N 2 0 359.434 0.769 20 0 FCADRP CC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704254 1274765599 /nfs/dbraw/zinc/76/55/99/1274765599.db2.gz ILNKZPUGPLGUBJ-HIFRSBDPSA-N 2 0 353.463 0.755 20 0 FCADRP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1)C(C)C ZINC001577731514 1274806453 /nfs/dbraw/zinc/80/64/53/1274806453.db2.gz SRCXPMQZBPYMFW-HNNXBMFYSA-N 2 0 363.510 0.887 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC001577731420 1274807471 /nfs/dbraw/zinc/80/74/71/1274807471.db2.gz PTNQBOKJFJJWAI-HUUCEWRRSA-N 2 0 365.526 0.930 20 0 FCADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577759519 1274840079 /nfs/dbraw/zinc/84/00/79/1274840079.db2.gz GZBAQKLTONMWRY-MGPQQGTHSA-N 2 0 351.499 0.682 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C[NH3+])[C@H](C(=O)OC)C1 ZINC001577773373 1274861116 /nfs/dbraw/zinc/86/11/16/1274861116.db2.gz CWTROJBHIZVIAP-BZUAXINKSA-N 2 0 364.494 0.645 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC001577780896 1274876870 /nfs/dbraw/zinc/87/68/70/1274876870.db2.gz FYNMMCSVFAQSRF-ZNMIVQPWSA-N 2 0 363.510 0.743 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@H]1C ZINC001577782027 1274876989 /nfs/dbraw/zinc/87/69/89/1274876989.db2.gz SXZLDUCYVKKOKY-QAPCUYQASA-N 2 0 366.510 0.808 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852366 1274997210 /nfs/dbraw/zinc/99/72/10/1274997210.db2.gz PKFYSRRQMKTZBZ-AWEZNQCLSA-N 2 0 372.477 0.888 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860486 1275022690 /nfs/dbraw/zinc/02/26/90/1275022690.db2.gz XQGIUEGZPZMJIE-OLZOCXBDSA-N 2 0 360.466 0.721 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859909 1275023819 /nfs/dbraw/zinc/02/38/19/1275023819.db2.gz PRNFILGGGLTARU-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577880425 1275078788 /nfs/dbraw/zinc/07/87/88/1275078788.db2.gz XPYIMQSXSFJSSZ-UHFFFAOYSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577880050 1275078901 /nfs/dbraw/zinc/07/89/01/1275078901.db2.gz RZBBMURHLQOLEL-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888042 1275093541 /nfs/dbraw/zinc/09/35/41/1275093541.db2.gz AVJUAIBODGXTAJ-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577892994 1275102379 /nfs/dbraw/zinc/10/23/79/1275102379.db2.gz XBLQAIOEDIWHNX-INIZCTEOSA-N 2 0 374.493 0.887 20 0 FCADRP CC[NH+](CC)CC(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892697 1275102898 /nfs/dbraw/zinc/10/28/98/1275102898.db2.gz RPHIQXMKDNQVQK-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP CCN(CCNC(=O)C[NH+](CC)CC)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577895862 1275106738 /nfs/dbraw/zinc/10/67/38/1275106738.db2.gz QSUHKEVACHVKER-UHFFFAOYSA-N 2 0 360.466 0.854 20 0 FCADRP CCN(CCNC(=O)C12CCC[NH+]1CCC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577933526 1275149762 /nfs/dbraw/zinc/14/97/62/1275149762.db2.gz BSDINMRQSJQMNI-UHFFFAOYSA-N 2 0 370.461 0.833 20 0 FCADRP CCN(CCNC(=O)C[N@H+](C)C1CCC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578004358 1275264893 /nfs/dbraw/zinc/26/48/93/1275264893.db2.gz FIUGIHMNEQLZKZ-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP O=C(NCC=CC[NH2+]CCc1cn[nH]n1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578005616 1275268714 /nfs/dbraw/zinc/26/87/14/1275268714.db2.gz BWJPDKCYNWXEBL-OWOJBTEDSA-N 2 0 352.402 0.504 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)CCC[NH+](C)C ZINC001578109669 1275410584 /nfs/dbraw/zinc/41/05/84/1275410584.db2.gz CQFYQFHVXWIBFI-UHFFFAOYSA-N 2 0 360.466 0.594 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001578134299 1275431928 /nfs/dbraw/zinc/43/19/28/1275431928.db2.gz QVSIGSMCYPBDLH-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC001580803151 1278962410 /nfs/dbraw/zinc/96/24/10/1278962410.db2.gz BBVDXLPJEKZFCJ-WBVHZDCISA-N 2 0 357.458 0.331 20 0 FCADRP CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001578230947 1275531654 /nfs/dbraw/zinc/53/16/54/1275531654.db2.gz TWAXEMGRSZXCBT-RUGDWHBFSA-N 2 0 350.507 0.964 20 0 FCADRP CCc1nnc(N2CC[C@H](C[NH2+]C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001578311592 1275650718 /nfs/dbraw/zinc/65/07/18/1275650718.db2.gz IONDLNDWDBHNMH-HZPDHXFCSA-N 2 0 350.511 0.855 20 0 FCADRP CCc1nnc(N2CC[C@H]([NH2+]C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001578314871 1275655181 /nfs/dbraw/zinc/65/51/81/1275655181.db2.gz FGGMVNDDUNEXCT-IRXDYDNUSA-N 2 0 363.554 0.912 20 0 FCADRP CCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578315632 1275655334 /nfs/dbraw/zinc/65/53/34/1275655334.db2.gz VBFLAHHMIPHYHK-IRXDYDNUSA-N 2 0 363.554 0.912 20 0 FCADRP CCc1nnc(N2CCC[C@@H](C[NH3+])C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001578316980 1275656788 /nfs/dbraw/zinc/65/67/88/1275656788.db2.gz HLYGWETZJYCMKL-HOTGVXAUSA-N 2 0 350.511 0.984 20 0 FCADRP CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001578324027 1275669706 /nfs/dbraw/zinc/66/97/06/1275669706.db2.gz CZQSQWXWSSVKRS-JKSUJKDBSA-N 2 0 350.511 0.876 20 0 FCADRP CCc1nnc(N2CC[C@@H]([NH3+])C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001578329473 1275675489 /nfs/dbraw/zinc/67/54/89/1275675489.db2.gz WGAHQKVQFGGHLA-QZTJIDSGSA-N 2 0 370.501 0.993 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC001578398802 1275774499 /nfs/dbraw/zinc/77/44/99/1275774499.db2.gz CXQOBXZIIAXYHQ-UHFFFAOYSA-N 2 0 351.495 0.467 20 0 FCADRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3=NO[C@]4(CC[NH2+]C4)C3)nc2)C1 ZINC001578410780 1275782685 /nfs/dbraw/zinc/78/26/85/1275782685.db2.gz LSIHHOFLSFJODE-RDTXWAMCSA-N 2 0 358.446 0.669 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578411394 1275783330 /nfs/dbraw/zinc/78/33/30/1275783330.db2.gz SRBMSFZHGYDKIT-LJQANCHMSA-N 2 0 352.523 0.413 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC001578418240 1275787152 /nfs/dbraw/zinc/78/71/52/1275787152.db2.gz AOBKYJDFWYKJRC-ZDUSSCGKSA-N 2 0 352.460 0.513 20 0 FCADRP CN(C)Cc1nc(CNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)co1 ZINC001578420490 1275790160 /nfs/dbraw/zinc/79/01/60/1275790160.db2.gz MSLVCXIKRZQFIP-UHFFFAOYSA-N 2 0 355.439 0.548 20 0 FCADRP CN(C)Cc1nc(CNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)co1 ZINC001578420462 1275790362 /nfs/dbraw/zinc/79/03/62/1275790362.db2.gz LSUCFAPOLQZNMX-UHFFFAOYSA-N 2 0 355.439 0.467 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC001578423392 1275792973 /nfs/dbraw/zinc/79/29/73/1275792973.db2.gz FGPNZIQNDWLWQL-KDYLLFBJSA-N 2 0 357.462 0.865 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001578444895 1275835375 /nfs/dbraw/zinc/83/53/75/1275835375.db2.gz AZBSMZCAQLACJE-SFHVURJKSA-N 2 0 358.442 0.200 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001578471370 1275883887 /nfs/dbraw/zinc/88/38/87/1275883887.db2.gz IFTWALWSSAEIMI-HZPDHXFCSA-N 2 0 372.477 0.639 20 0 FCADRP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCSC1 ZINC001578525743 1275957820 /nfs/dbraw/zinc/95/78/20/1275957820.db2.gz OUGQGSHCIVYKSM-LOUJCGABSA-N 2 0 366.535 0.491 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCC(F)(F)CC2)C1 ZINC001578525876 1275957921 /nfs/dbraw/zinc/95/79/21/1275957921.db2.gz SGNDMUMWHKFNKN-ZENOOKHLSA-N 2 0 370.448 0.785 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528714 1275959240 /nfs/dbraw/zinc/95/92/40/1275959240.db2.gz LCTXTQNOZUNSBI-STQMWFEESA-N 2 0 351.417 0.464 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c2ccccc2)CC1 ZINC001578533643 1275965167 /nfs/dbraw/zinc/96/51/67/1275965167.db2.gz QPWCMOPPJLLZLE-BZUAXINKSA-N 2 0 352.429 0.931 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001578610753 1276047129 /nfs/dbraw/zinc/04/71/29/1276047129.db2.gz BNCAOTJSKSRMEW-GZBFAFLISA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(C)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001578668927 1276122711 /nfs/dbraw/zinc/12/27/11/1276122711.db2.gz GHNNHGWQVQLPQE-GOSISDBHSA-N 2 0 363.554 0.906 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001578680558 1276133608 /nfs/dbraw/zinc/13/36/08/1276133608.db2.gz SWZBNPCXNYRWDE-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP COC(=O)C1([C@]2(O)CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778251 1276261682 /nfs/dbraw/zinc/26/16/82/1276261682.db2.gz RDCXTGATTSDLHP-IEZWGBDMSA-N 2 0 352.475 0.925 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001578841298 1276360092 /nfs/dbraw/zinc/36/00/92/1276360092.db2.gz BLQULEPWJAILAH-ZFHCCXERSA-N 2 0 350.463 0.535 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC1 ZINC001578965137 1276508348 /nfs/dbraw/zinc/50/83/48/1276508348.db2.gz RBDJAYINVYVGCO-OAHLLOKOSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578972551 1276517836 /nfs/dbraw/zinc/51/78/36/1276517836.db2.gz RAHFAATWHKDLLM-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977938 1276534803 /nfs/dbraw/zinc/53/48/03/1276534803.db2.gz XKYDSAAABVPIKP-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001578978675 1276535432 /nfs/dbraw/zinc/53/54/32/1276535432.db2.gz LKAASOZDQYTAFH-GJZGRUSLSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578987535 1276558059 /nfs/dbraw/zinc/55/80/59/1276558059.db2.gz IMZSHORMNZKHRR-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP COC[C@@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578990309 1276563770 /nfs/dbraw/zinc/56/37/70/1276563770.db2.gz QOZQNVLHNAXVCE-BSXFFOKHSA-N 2 0 364.494 0.022 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C[NH+](C)C ZINC001578992555 1276567780 /nfs/dbraw/zinc/56/77/80/1276567780.db2.gz ZPPNXQFIRKFELL-IAGOWNOFSA-N 2 0 371.489 0.607 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579014944 1276590587 /nfs/dbraw/zinc/59/05/87/1276590587.db2.gz UUSZGGRFPJRWFN-HZPDHXFCSA-N 2 0 366.510 0.678 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001579014922 1276590686 /nfs/dbraw/zinc/59/06/86/1276590686.db2.gz ULBIZNRIUYOKDQ-OAGGEKHMSA-N 2 0 366.510 0.534 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001579082317 1276709784 /nfs/dbraw/zinc/70/97/84/1276709784.db2.gz ZBJXLQPPVIOEOD-FZKCQIBNSA-N 2 0 366.510 0.750 20 0 FCADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001579083271 1276711920 /nfs/dbraw/zinc/71/19/20/1276711920.db2.gz PJVTZMGIXVDZTR-SJORKVTESA-N 2 0 350.463 0.875 20 0 FCADRP COc1cc(CN2CC[NH+](C[C@H](O)CC[NH3+])CC2)cc(OC)c1OC ZINC001579149391 1276881753 /nfs/dbraw/zinc/88/17/53/1276881753.db2.gz WGKBXSNXVROSSW-OAHLLOKOSA-N 2 0 353.463 0.540 20 0 FCADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177191 1276937626 /nfs/dbraw/zinc/93/76/26/1276937626.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001579180560 1276947961 /nfs/dbraw/zinc/94/79/61/1276947961.db2.gz PABNKTSQDVMYEI-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001579214550 1277009090 /nfs/dbraw/zinc/00/90/90/1277009090.db2.gz GTWGYNMKRPLOPS-ZIAGYGMSSA-N 2 0 372.477 0.674 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001579215157 1277010914 /nfs/dbraw/zinc/01/09/14/1277010914.db2.gz ZITJKTYWJYZGRC-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579247907 1277046915 /nfs/dbraw/zinc/04/69/15/1277046915.db2.gz LCXLOYLKFIHJMD-IAGOWNOFSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579261405 1277058688 /nfs/dbraw/zinc/05/86/88/1277058688.db2.gz PZVXVWHRDDVGSZ-DOTOQJQBSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326155 1277149808 /nfs/dbraw/zinc/14/98/08/1277149808.db2.gz MKOZKXGZXDJCQD-FZKQIMNGSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331356 1277160373 /nfs/dbraw/zinc/16/03/73/1277160373.db2.gz AUXZVINJRJZYOI-IAGOWNOFSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331692 1277162567 /nfs/dbraw/zinc/16/25/67/1277162567.db2.gz GPYIXTPUKBFDOS-IRXDYDNUSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001579334036 1277170287 /nfs/dbraw/zinc/17/02/87/1277170287.db2.gz UUIVWPJTWWRUOD-CYBMUJFWSA-N 2 0 370.461 0.476 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339829 1277183270 /nfs/dbraw/zinc/18/32/70/1277183270.db2.gz NNNUFJINDMMHSK-PBOSXPJTSA-N 2 0 373.486 0.426 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343911 1277194476 /nfs/dbraw/zinc/19/44/76/1277194476.db2.gz NHYKNCLATSRATB-LRDDRELGSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355047 1277217064 /nfs/dbraw/zinc/21/70/64/1277217064.db2.gz CHJFPPHTLDTMLQ-DLBZAZTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353885 1277217394 /nfs/dbraw/zinc/21/73/94/1277217394.db2.gz WBDYKPALEGOKDD-BBRMVZONSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579355055 1277217450 /nfs/dbraw/zinc/21/74/50/1277217450.db2.gz CLTSVMXMOQRWNZ-PGEKIEPBSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358878 1277228498 /nfs/dbraw/zinc/22/84/98/1277228498.db2.gz LCMSOJYWQIQGFM-DLBZAZTESA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H]([NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001579404007 1277287506 /nfs/dbraw/zinc/28/75/06/1277287506.db2.gz BOGMSXFIICCBBD-KGLIPLIRSA-N 2 0 363.510 0.887 20 0 FCADRP Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([NH3+])C3)n2CC[N@H+]2CC=CCC2)n1 ZINC001579585076 1277611311 /nfs/dbraw/zinc/61/13/11/1277611311.db2.gz CWHAFFPWHFXTET-QGZVFWFLSA-N 2 0 370.505 0.939 20 0 FCADRP C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001714264105 1287318134 /nfs/dbraw/zinc/31/81/34/1287318134.db2.gz JDYVNKVYZKWOIB-SQWLQELKSA-N 2 0 363.510 0.830 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580270598 1278061906 /nfs/dbraw/zinc/06/19/06/1278061906.db2.gz UBJMBUKJCYRILP-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580270787 1278063752 /nfs/dbraw/zinc/06/37/52/1278063752.db2.gz FBQCUAMMPFREHD-AAEUAGOBSA-N 2 0 361.425 0.552 20 0 FCADRP [NH3+]C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCCCC2)CCO1 ZINC001580274989 1278069476 /nfs/dbraw/zinc/06/94/76/1278069476.db2.gz CQDMULVRRPDGIV-HNNXBMFYSA-N 2 0 359.478 0.923 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580280022 1278079065 /nfs/dbraw/zinc/07/90/65/1278079065.db2.gz QVPRUOBWDMTVCJ-GUYCJALGSA-N 2 0 369.473 0.803 20 0 FCADRP O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001580869805 1279073297 /nfs/dbraw/zinc/07/32/97/1279073297.db2.gz JXRMZECXDAUKMC-DLBZAZTESA-N 2 0 353.488 0.425 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941438 1279150203 /nfs/dbraw/zinc/15/02/03/1279150203.db2.gz HPVWABRKDMGVNP-UKRRQHHQSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942759 1279151579 /nfs/dbraw/zinc/15/15/79/1279151579.db2.gz ZPEPSLDNBNZXKR-UKRRQHHQSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948036 1279153743 /nfs/dbraw/zinc/15/37/43/1279153743.db2.gz MKJQFXIRPWTPLH-UHFFFAOYSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955656 1279159705 /nfs/dbraw/zinc/15/97/05/1279159705.db2.gz ZCCCJRNGRIWWFE-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958798 1279161996 /nfs/dbraw/zinc/16/19/96/1279161996.db2.gz KZLGNADIYMDOOC-CZUORRHYSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960858 1279164680 /nfs/dbraw/zinc/16/46/80/1279164680.db2.gz GNJRAMFYYODMBC-ZDUSSCGKSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CCCN(C(=O)CCC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968117 1279169914 /nfs/dbraw/zinc/16/99/14/1279169914.db2.gz JEMAFJJSZPPWRH-UHFFFAOYSA-N 2 0 372.477 0.951 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972503 1279173202 /nfs/dbraw/zinc/17/32/02/1279173202.db2.gz VNKVYKRQKDSOQB-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977238 1279177152 /nfs/dbraw/zinc/17/71/52/1279177152.db2.gz HKDVAOABKXXISS-UYHMYPTGSA-N 2 0 368.445 0.073 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987830 1279186917 /nfs/dbraw/zinc/18/69/17/1279186917.db2.gz MPSGCZNOPHLPCG-MLGOLLRUSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988047 1279187536 /nfs/dbraw/zinc/18/75/36/1279187536.db2.gz PGUJADKHIKWPRA-GFCCVEGCSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990709 1279193175 /nfs/dbraw/zinc/19/31/75/1279193175.db2.gz HISFYAVEPVHWJS-WFASDCNBSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)CCC[NH+](C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992839 1279196704 /nfs/dbraw/zinc/19/67/04/1279196704.db2.gz CBFJOKBSOYCDGK-MRXNPFEDSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994043 1279201154 /nfs/dbraw/zinc/20/11/54/1279201154.db2.gz KKNMIARLMRKRNR-SWLSCSKDSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994988 1279203059 /nfs/dbraw/zinc/20/30/59/1279203059.db2.gz VEXYASVSBXWYPE-KGLIPLIRSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994958 1279203118 /nfs/dbraw/zinc/20/31/18/1279203118.db2.gz UMOAFDWZLONEGP-ZDUSSCGKSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002676 1279218901 /nfs/dbraw/zinc/21/89/01/1279218901.db2.gz UXQJGHVQWDVESS-STQMWFEESA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003420 1279220792 /nfs/dbraw/zinc/22/07/92/1279220792.db2.gz OVXYLJFKQFKWMB-UHFFFAOYSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003674 1279220940 /nfs/dbraw/zinc/22/09/40/1279220940.db2.gz FGXSODPKLSIYJQ-CZUORRHYSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010116 1279235677 /nfs/dbraw/zinc/23/56/77/1279235677.db2.gz FEUOQLANQAPAFB-QWHCGFSZSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009996 1279236017 /nfs/dbraw/zinc/23/60/17/1279236017.db2.gz BHIUIRFLTIZKLK-BLLLJJGKSA-N 2 0 374.493 0.742 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012718 1279238908 /nfs/dbraw/zinc/23/89/08/1279238908.db2.gz AYXTVZDUTRMFNL-XJKSGUPXSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581019880 1279250552 /nfs/dbraw/zinc/25/05/52/1279250552.db2.gz CZIDUUHHWQMVHA-UHFFFAOYSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581021194 1279251591 /nfs/dbraw/zinc/25/15/91/1279251591.db2.gz JKPNVYXQJSWFHX-AWEZNQCLSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024406 1279254744 /nfs/dbraw/zinc/25/47/44/1279254744.db2.gz HQWRCHPPMRDVKF-DGCLKSJQSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024766 1279256234 /nfs/dbraw/zinc/25/62/34/1279256234.db2.gz GXCCDJYCLWYYLC-IACUBPJLSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028258 1279265159 /nfs/dbraw/zinc/26/51/59/1279265159.db2.gz NPSILWGCKPHVFU-CHWSQXEVSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030103 1279266397 /nfs/dbraw/zinc/26/63/97/1279266397.db2.gz LDHHXAPNDYEEML-CZUORRHYSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581037535 1279273448 /nfs/dbraw/zinc/27/34/48/1279273448.db2.gz GHCIUZWWFMEJRC-BETUJISGSA-N 2 0 370.461 0.535 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318341 1287352043 /nfs/dbraw/zinc/35/20/43/1287352043.db2.gz GUEWSQHYTGDXHS-KBPBESRZSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318344 1287353058 /nfs/dbraw/zinc/35/30/58/1287353058.db2.gz GUEWSQHYTGDXHS-ZIAGYGMSSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001603475185 1287383698 /nfs/dbraw/zinc/38/36/98/1287383698.db2.gz KWQHGPUGNKCWOA-BFHYXJOUSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603481066 1287386439 /nfs/dbraw/zinc/38/64/39/1287386439.db2.gz KUJYTFIBLYGKDK-CJNGLKHVSA-N 2 0 372.477 0.863 20 0 FCADRP Cc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nn[nH]n2)c1C ZINC001581612494 1280242025 /nfs/dbraw/zinc/24/20/25/1280242025.db2.gz PVFBCVRPDCYNBX-ZIAGYGMSSA-N 2 0 359.482 0.449 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581809053 1280548692 /nfs/dbraw/zinc/54/86/92/1280548692.db2.gz BSTACBWNERYHLT-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581950320 1280781031 /nfs/dbraw/zinc/78/10/31/1280781031.db2.gz ZAQBGGFUQFSCBA-ZFWWWQNUSA-N 2 0 368.445 0.038 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582098755 1281054809 /nfs/dbraw/zinc/05/48/09/1281054809.db2.gz XWQFDHLPWONDCQ-AWEZNQCLSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582099321 1281055769 /nfs/dbraw/zinc/05/57/69/1281055769.db2.gz OTFPUKZPRCVDRV-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603919970 1287535297 /nfs/dbraw/zinc/53/52/97/1287535297.db2.gz DBWQDCGUXKZDBH-WBMJQRKESA-N 2 0 370.461 0.284 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001604270339 1287596618 /nfs/dbraw/zinc/59/66/18/1287596618.db2.gz BQVHDZHBFKAELN-KGLIPLIRSA-N 2 0 372.477 0.735 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589676588 1282935997 /nfs/dbraw/zinc/93/59/97/1282935997.db2.gz FCTXTCJLDMUCTK-PLNGDYQASA-N 2 0 357.462 0.969 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589763130 1282985063 /nfs/dbraw/zinc/98/50/63/1282985063.db2.gz SZWVELWXXZOOLG-MRXNPFEDSA-N 2 0 357.462 0.931 20 0 FCADRP CC[NH2+]CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604357138 1287613247 /nfs/dbraw/zinc/61/32/47/1287613247.db2.gz UZNHSRCRXHRSIM-INIZCTEOSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001590269188 1283396318 /nfs/dbraw/zinc/39/63/18/1283396318.db2.gz QSYHJMCVPMLISO-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271267 1283397721 /nfs/dbraw/zinc/39/77/21/1283397721.db2.gz YSTCJPXHDDSQEX-XYBNCVKDSA-N 2 0 369.473 0.971 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001719069521 1287652136 /nfs/dbraw/zinc/65/21/36/1287652136.db2.gz SGMOFLLAQDAKGL-YYIAUSFCSA-N 2 0 350.507 0.728 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591174576 1284261840 /nfs/dbraw/zinc/26/18/40/1284261840.db2.gz WWCIVHUJPLAKPU-GFCCVEGCSA-N 2 0 356.434 0.298 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175195 1284263693 /nfs/dbraw/zinc/26/36/93/1284263693.db2.gz JCGFIDLNALKQDB-DLGQBQFBSA-N 2 0 361.475 0.642 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001591193101 1284310618 /nfs/dbraw/zinc/31/06/18/1284310618.db2.gz QPAZEKYGAMZVIE-MRXNPFEDSA-N 2 0 359.478 0.516 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591216655 1284352147 /nfs/dbraw/zinc/35/21/47/1284352147.db2.gz VMMGORKLALMUBF-AWEZNQCLSA-N 2 0 372.477 0.692 20 0 FCADRP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591217148 1284355742 /nfs/dbraw/zinc/35/57/42/1284355742.db2.gz XLWPWPMPHQOOOC-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046727 1285087994 /nfs/dbraw/zinc/08/79/94/1285087994.db2.gz GNUMHMTUSDFGHX-INIZCTEOSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(NCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049218 1285093831 /nfs/dbraw/zinc/09/38/31/1285093831.db2.gz LBLOPJGRJCTXGA-XJKSGUPXSA-N 2 0 370.461 0.537 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001604754920 1287763501 /nfs/dbraw/zinc/76/35/01/1287763501.db2.gz ZZTOWFJDJZHTAJ-HNNXBMFYSA-N 2 0 358.450 0.428 20 0 FCADRP CN(CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604765429 1287771266 /nfs/dbraw/zinc/77/12/66/1287771266.db2.gz IAFXJPCLPHFCGN-UONOGXRCSA-N 2 0 372.477 0.935 20 0 FCADRP C[N@H+]1CC=C(C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604846448 1287796168 /nfs/dbraw/zinc/79/61/68/1287796168.db2.gz JEIXXRIJNREDEA-UHFFFAOYSA-N 2 0 362.459 0.492 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)CC1 ZINC001702423350 1285667485 /nfs/dbraw/zinc/66/74/85/1285667485.db2.gz GFFQMSKSTAAJGZ-HZPDHXFCSA-N 2 0 362.518 0.729 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)N1CC[NH2+]CC1 ZINC001592783300 1285706457 /nfs/dbraw/zinc/70/64/57/1285706457.db2.gz HMESJMBBUZJHFQ-INIZCTEOSA-N 2 0 355.446 0.511 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001592988985 1285872938 /nfs/dbraw/zinc/87/29/38/1285872938.db2.gz XNBAXKCKDDMKPX-BHYGNILZSA-N 2 0 367.457 0.555 20 0 FCADRP O=C(NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1C[NH+]2CCC1CC2 ZINC001593058682 1285954312 /nfs/dbraw/zinc/95/43/12/1285954312.db2.gz YHASWRWPSFRQFV-OYADATRGSA-N 2 0 368.445 0.110 20 0 FCADRP O[C@H](C[NH2+]C1CCN(c2ccccc2-c2nn[nH]n2)CC1)C[NH+]1CCCC1 ZINC001593505918 1286184524 /nfs/dbraw/zinc/18/45/24/1286184524.db2.gz ULWLWQXBXGIGCY-MRXNPFEDSA-N 2 0 371.489 0.882 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC001704210798 1286195905 /nfs/dbraw/zinc/19/59/05/1286195905.db2.gz UTMCJEVZIYLECA-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854943 1287799708 /nfs/dbraw/zinc/79/97/08/1287799708.db2.gz VELBBPHEGGTGOS-XQJDBVBESA-N 2 0 356.434 0.110 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860091 1287800892 /nfs/dbraw/zinc/80/08/92/1287800892.db2.gz DCAXXWFUYVERQE-BBRMVZONSA-N 2 0 370.461 0.428 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001719238847 1287926562 /nfs/dbraw/zinc/92/65/62/1287926562.db2.gz GAZBQQZWJVZLHM-BRWVUGGUSA-N 2 0 368.522 0.256 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001719346112 1288104106 /nfs/dbraw/zinc/10/41/06/1288104106.db2.gz RDBVIMLQSNFNQD-QBPKDAKJSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001719419653 1288115208 /nfs/dbraw/zinc/11/52/08/1288115208.db2.gz XKVHJIXSQSSJFT-PNBKFKSVSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC4CC4)C3)C2)CC[N@@H+]1C ZINC001733295133 1288608113 /nfs/dbraw/zinc/60/81/13/1288608113.db2.gz KVUBRVIYZRRWMG-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)CC(C)(C)C ZINC001691917030 1289341961 /nfs/dbraw/zinc/34/19/61/1289341961.db2.gz CTVXXTIMCOZJER-LSDHHAIUSA-N 2 0 361.552 0.883 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001691917940 1289343161 /nfs/dbraw/zinc/34/31/61/1289343161.db2.gz UNQIIWRKYJSMQK-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001692042455 1289375314 /nfs/dbraw/zinc/37/53/14/1289375314.db2.gz VDBKLLGJCYSDGK-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001692086931 1289394276 /nfs/dbraw/zinc/39/42/76/1289394276.db2.gz SNTHCSGJTRHUKB-SQNIBIBYSA-N 2 0 353.507 0.650 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288983 1289444150 /nfs/dbraw/zinc/44/41/50/1289444150.db2.gz FFVNRPTZXHDXPB-ZNMIVQPWSA-N 2 0 367.494 0.082 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001692389024 1289456735 /nfs/dbraw/zinc/45/67/35/1289456735.db2.gz NWLOTTFLDXIMBL-ZBFHGGJFSA-N 2 0 353.511 0.615 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C)[NH+](C)C ZINC001692388986 1289456972 /nfs/dbraw/zinc/45/69/72/1289456972.db2.gz MTVBGBAUTPUQPD-JKIFEVAISA-N 2 0 352.479 0.301 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCCN2CCCC2=O)C2CC2)CC[N@@H+]1C ZINC001699576351 1289558470 /nfs/dbraw/zinc/55/84/70/1289558470.db2.gz NEBFFKMZSWLAHU-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001699750987 1289564786 /nfs/dbraw/zinc/56/47/86/1289564786.db2.gz JWWFPPWZBZPUAT-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615851941 1289763232 /nfs/dbraw/zinc/76/32/32/1289763232.db2.gz ZJBFZQODYAQMCM-CRAIPNDOSA-N 2 0 350.511 0.999 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001752730501 1290614795 /nfs/dbraw/zinc/61/47/95/1290614795.db2.gz FZMYUQNFYOGIDI-XUWVNRHRSA-N 2 0 353.511 0.661 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001752926124 1290616424 /nfs/dbraw/zinc/61/64/24/1290616424.db2.gz JSXKCXPTUKRZQO-HRCADAONSA-N 2 0 356.486 0.631 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754225996 1290626829 /nfs/dbraw/zinc/62/68/29/1290626829.db2.gz VINVNLYOIKPNIV-HZSPNIEDSA-N 2 0 355.483 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)C2CC2)CC[N@@H+]1C ZINC001754441769 1290628541 /nfs/dbraw/zinc/62/85/41/1290628541.db2.gz QYUOLDMZRQTAFJ-BMFZPTHFSA-N 2 0 371.547 0.636 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001757182571 1290731853 /nfs/dbraw/zinc/73/18/53/1290731853.db2.gz GAUOWGXMJWMLOH-BBWFWOEESA-N 2 0 368.522 0.137 20 0 FCADRP COC(=O)CN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001658831184 1291630428 /nfs/dbraw/zinc/63/04/28/1291630428.db2.gz UKPQAODGAOIYIO-IBGZPJMESA-N 2 0 361.486 0.980 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001677437900 1292235340 /nfs/dbraw/zinc/23/53/40/1292235340.db2.gz FQDPTTNDSXHJHU-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001679408581 1292303748 /nfs/dbraw/zinc/30/37/48/1292303748.db2.gz DETROLLMSQJOAP-FUHWJXTLSA-N 2 0 368.522 0.633 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689067182 1294590590 /nfs/dbraw/zinc/59/05/90/1294590590.db2.gz SKIYPXKICSUJGS-HYVNUMGLSA-N 2 0 366.506 0.332 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689067181 1294590826 /nfs/dbraw/zinc/59/08/26/1294590826.db2.gz SKIYPXKICSUJGS-DJIMGWMZSA-N 2 0 366.506 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+][C@H](C)COC)cc(=O)[nH]2)CC[N@@H+]1C ZINC001689139210 1294623490 /nfs/dbraw/zinc/62/34/90/1294623490.db2.gz GNILXCKIJSAOFI-VHDGCEQUSA-N 2 0 365.478 0.653 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001689221470 1294675131 /nfs/dbraw/zinc/67/51/31/1294675131.db2.gz VPLKFUFVCOSJCT-ZJPYXAASSA-N 2 0 364.534 0.879 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001689222097 1294678449 /nfs/dbraw/zinc/67/84/49/1294678449.db2.gz BFRMZOBVBUUMDR-IXDOHACOSA-N 2 0 368.497 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C ZINC001689416977 1294779085 /nfs/dbraw/zinc/77/90/85/1294779085.db2.gz SVUVAKRZVZVPMG-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001689421263 1294781989 /nfs/dbraw/zinc/78/19/89/1294781989.db2.gz YLYPZVHEIPQNLR-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[NH+]3CCC[C@H]3C)CC2)CC[N@@H+]1C ZINC001689588123 1294801504 /nfs/dbraw/zinc/80/15/04/1294801504.db2.gz VHASKQLKRJGEIB-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001691837443 1294932223 /nfs/dbraw/zinc/93/22/23/1294932223.db2.gz BUQXBTKRYMYNMT-CABCVRRESA-N 2 0 369.510 0.391 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164617855 719016387 /nfs/dbraw/zinc/01/63/87/719016387.db2.gz QFFVERLQITWLHP-HRCADAONSA-N 2 0 359.474 0.563 20 0 FCADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866888 721060251 /nfs/dbraw/zinc/06/02/51/721060251.db2.gz GPJLXDKTLNTTKN-ROUUACIJSA-N 2 0 366.469 0.997 20 0 FCADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866618 721112305 /nfs/dbraw/zinc/11/23/05/721112305.db2.gz UGOSRUDTKNCJEV-MSOLQXFVSA-N 2 0 366.469 0.997 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2CC[NH2+]C3)CC1 ZINC001165011568 721733056 /nfs/dbraw/zinc/73/30/56/721733056.db2.gz QXUVXKZXCYVPRP-UHFFFAOYSA-N 2 0 358.490 0.645 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926029 721871668 /nfs/dbraw/zinc/87/16/68/721871668.db2.gz PYTANNMYYFEKRS-IRXDYDNUSA-N 2 0 359.522 0.619 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001067536336 837465210 /nfs/dbraw/zinc/46/52/10/837465210.db2.gz SXIPRGIZYAIGSW-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070242661 837637388 /nfs/dbraw/zinc/63/73/88/837637388.db2.gz LHJWYZACXRITTK-OWCLPIDISA-N 2 0 350.442 0.464 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070289397 837643497 /nfs/dbraw/zinc/64/34/97/837643497.db2.gz ABEZXEPHRXXXSM-OAGGEKHMSA-N 2 0 352.458 0.852 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070328336 837647142 /nfs/dbraw/zinc/64/71/42/837647142.db2.gz XTTRQWKMZHEWRO-CVEARBPZSA-N 2 0 360.487 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001074663088 837822283 /nfs/dbraw/zinc/82/22/83/837822283.db2.gz HDSLCQUOTLGJAY-YHUYYLMFSA-N 2 0 351.495 0.321 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001100345296 844051631 /nfs/dbraw/zinc/05/16/31/844051631.db2.gz YYWGTRNLFHFFNQ-SJJHQCBESA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001100343362 844051877 /nfs/dbraw/zinc/05/18/77/844051877.db2.gz CFEULODTGWRKTP-IKWCTNDRSA-N 2 0 366.491 0.301 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171874 844088522 /nfs/dbraw/zinc/08/85/22/844088522.db2.gz OOIQWZVIMIMWOW-MDZRGWNJSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249202477 836025960 /nfs/dbraw/zinc/02/59/60/836025960.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 0 356.555 0.150 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243497 844117975 /nfs/dbraw/zinc/11/79/75/844117975.db2.gz HXPOKYYAINLNQN-NNFUDEMPSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379656528 836050319 /nfs/dbraw/zinc/05/03/19/836050319.db2.gz PKHXBOWEZHQEAZ-WBVHZDCISA-N 2 0 352.504 0.779 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000382757024 836051065 /nfs/dbraw/zinc/05/10/65/836051065.db2.gz PZOFTOSLBGGCMQ-MRXNPFEDSA-N 2 0 352.504 0.733 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267368 844126354 /nfs/dbraw/zinc/12/63/54/844126354.db2.gz BBLSAOFKVJBBBJ-AYBZRNKSSA-N 2 0 350.507 0.632 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271155 844127374 /nfs/dbraw/zinc/12/73/74/844127374.db2.gz HDAJRSVPAYOTLB-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828931 836154334 /nfs/dbraw/zinc/15/43/34/836154334.db2.gz BESOHWMLTAYMPO-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101285273 844134963 /nfs/dbraw/zinc/13/49/63/844134963.db2.gz VZFNKKJYAKNVEF-KUHUBIRLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCCC1 ZINC000746371939 836177348 /nfs/dbraw/zinc/17/73/48/836177348.db2.gz LOSQDFUZOJDKCQ-AWEZNQCLSA-N 2 0 350.467 0.374 20 0 FCADRP CN(C)C(=O)CNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000748156873 836288328 /nfs/dbraw/zinc/28/83/28/836288328.db2.gz KVVGKAVNYOSKFP-UHFFFAOYSA-N 2 0 364.519 0.146 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351810 844154469 /nfs/dbraw/zinc/15/44/69/844154469.db2.gz NCEXEJCWNKUCGT-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@]2(C)C1 ZINC001101351275 844154503 /nfs/dbraw/zinc/15/45/03/844154503.db2.gz AUNWZBVSGDBSPY-AEFFLSMTSA-N 2 0 371.547 0.543 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364432 844161935 /nfs/dbraw/zinc/16/19/35/844161935.db2.gz TZSLIYPWPHKNTE-MDZRGWNJSA-N 2 0 350.507 0.587 20 0 FCADRP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432395 844184312 /nfs/dbraw/zinc/18/43/12/844184312.db2.gz QAWDZXIHXRLQCY-QAPCUYQASA-N 2 0 350.463 0.842 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001059678517 836639450 /nfs/dbraw/zinc/63/94/50/836639450.db2.gz VGFHRIIXUFAVOL-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444037 844188722 /nfs/dbraw/zinc/18/87/22/844188722.db2.gz UYCMBNCHFUVVEU-KHYOSLBOSA-N 2 0 350.507 0.776 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461733 844192482 /nfs/dbraw/zinc/19/24/82/844192482.db2.gz QSSKLGUTIOLGIW-SCTDSRPQSA-N 2 0 353.507 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061829010 836718435 /nfs/dbraw/zinc/71/84/35/836718435.db2.gz HRGXKYFJQQGVLE-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1 ZINC001064508827 836796146 /nfs/dbraw/zinc/79/61/46/836796146.db2.gz QIZTUGZICDHZHN-HUUCEWRRSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC2)CC[NH+]1C ZINC001064547947 836797979 /nfs/dbraw/zinc/79/79/79/836797979.db2.gz OAGHMVUTJNNSHT-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065614759 836844392 /nfs/dbraw/zinc/84/43/92/836844392.db2.gz XMBBFFZUPHAJRR-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999154 838204258 /nfs/dbraw/zinc/20/42/58/838204258.db2.gz GESGXHKVDKPRCF-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001102015338 844373707 /nfs/dbraw/zinc/37/37/07/844373707.db2.gz DHSLFWLUCFSDQN-OAGGEKHMSA-N 2 0 358.502 0.875 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051923 844397467 /nfs/dbraw/zinc/39/74/67/844397467.db2.gz TUCRNTXCTNVQQP-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047268 844394553 /nfs/dbraw/zinc/39/45/53/844394553.db2.gz ANZPWFUBQGHANW-MZMPZRCHSA-N 2 0 350.507 0.537 20 0 FCADRP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818514 839173893 /nfs/dbraw/zinc/17/38/93/839173893.db2.gz ZNYRHGQDBSDUNY-IAGOWNOFSA-N 2 0 351.495 0.656 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1)OC ZINC001077979023 839266044 /nfs/dbraw/zinc/26/60/44/839266044.db2.gz XAOWWLXYVPEJNI-RCCFBDPRSA-N 2 0 353.507 0.695 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176067 839382758 /nfs/dbraw/zinc/38/27/58/839382758.db2.gz ZNUHAMAKRLWKSK-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259536 839501877 /nfs/dbraw/zinc/50/18/77/839501877.db2.gz FMSULEXAVIDAFT-IXDOHACOSA-N 2 0 351.491 0.260 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273931 839504202 /nfs/dbraw/zinc/50/42/02/839504202.db2.gz XKROFSCMKACPKJ-IXDOHACOSA-N 2 0 351.491 0.260 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214734 844447123 /nfs/dbraw/zinc/44/71/23/844447123.db2.gz BNVNWNGFUNJOHC-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290880 844459660 /nfs/dbraw/zinc/45/96/60/844459660.db2.gz YCEHRICLGWAKGW-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292209 844459755 /nfs/dbraw/zinc/45/97/55/844459755.db2.gz DIJKVOKWYRYYGZ-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294163 844459840 /nfs/dbraw/zinc/45/98/40/844459840.db2.gz MKMXZGJBYSKGQM-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288824 844459981 /nfs/dbraw/zinc/45/99/81/844459981.db2.gz XGOIHSXTXQAKGR-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312537 844464811 /nfs/dbraw/zinc/46/48/11/844464811.db2.gz BPNMOUGMSCKSRY-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320503 844466564 /nfs/dbraw/zinc/46/65/64/844466564.db2.gz FTDDKGRCGWWGFA-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558752 839746219 /nfs/dbraw/zinc/74/62/19/839746219.db2.gz BQFTVWQWSCXEHJ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102330172 844467540 /nfs/dbraw/zinc/46/75/40/844467540.db2.gz HAGRWAPXLLJEPO-DJIMGWMZSA-N 2 0 352.523 0.783 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001080998771 839857978 /nfs/dbraw/zinc/85/79/78/839857978.db2.gz MWRYVXCOGCWVFD-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369941 844478385 /nfs/dbraw/zinc/47/83/85/844478385.db2.gz LGHBZANDYDOXPD-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375751 844480101 /nfs/dbraw/zinc/48/01/01/844480101.db2.gz ZRMQNIPZQPAXKD-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375739 844480509 /nfs/dbraw/zinc/48/05/09/844480509.db2.gz ZGCGBYLFPDMHCV-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433981 844497156 /nfs/dbraw/zinc/49/71/56/844497156.db2.gz JMPYDZAWCBJTTQ-BFYDXBDKSA-N 2 0 352.523 0.879 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840769 840060735 /nfs/dbraw/zinc/06/07/35/840060735.db2.gz SUNKRDFSYFYEOL-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)C1 ZINC001082096063 840183217 /nfs/dbraw/zinc/18/32/17/840183217.db2.gz WYEPSFUNAZAUSB-XAWIXRBMSA-N 2 0 353.507 0.959 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475503 844516067 /nfs/dbraw/zinc/51/60/67/844516067.db2.gz REDVTSHFMBKZKC-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102475600 844516340 /nfs/dbraw/zinc/51/63/40/844516340.db2.gz VUCZCRPXKVVQQA-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082222163 840247453 /nfs/dbraw/zinc/24/74/53/840247453.db2.gz JQDITAHSAGZYKG-NUEKZKHPSA-N 2 0 355.458 0.622 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328344 840311220 /nfs/dbraw/zinc/31/12/20/840311220.db2.gz PAVIFADQTVADIL-BRWVUGGUSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082539845 840454178 /nfs/dbraw/zinc/45/41/78/840454178.db2.gz LNCZFXIHHWNPAN-MRVWCRGKSA-N 2 0 350.488 0.748 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514559 844545952 /nfs/dbraw/zinc/54/59/52/844545952.db2.gz BGCPSFDELZHXTC-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082562158 840466019 /nfs/dbraw/zinc/46/60/19/840466019.db2.gz SLNLSWMVGOEEJY-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082570556 840470504 /nfs/dbraw/zinc/47/05/04/840470504.db2.gz QIGLCVQZZKVDKD-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511019 844542013 /nfs/dbraw/zinc/54/20/13/844542013.db2.gz GINCJRKVRLOUJL-HZPDHXFCSA-N 2 0 356.511 0.117 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082570611 840471191 /nfs/dbraw/zinc/47/11/91/840471191.db2.gz SLMWFMNLDFFAJL-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515509 844546272 /nfs/dbraw/zinc/54/62/72/844546272.db2.gz WVPPRIBBMWJCLD-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CCn1ccc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513412 844545015 /nfs/dbraw/zinc/54/50/15/844545015.db2.gz JMOIOQLTMWCLRE-HZPDHXFCSA-N 2 0 351.495 0.665 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082719748 840535421 /nfs/dbraw/zinc/53/54/21/840535421.db2.gz ISRBVSIMLODHBU-HLLBOEOZSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741111 840543538 /nfs/dbraw/zinc/54/35/38/840543538.db2.gz PWBOJZVJFLMCTC-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1)[NH+](C)C ZINC001082748668 840546279 /nfs/dbraw/zinc/54/62/79/840546279.db2.gz VXDBLQPSZZJDSO-YUELXQCFSA-N 2 0 371.503 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520678 844550380 /nfs/dbraw/zinc/55/03/80/844550380.db2.gz VAEUVXRIMBFKJB-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524669 844551295 /nfs/dbraw/zinc/55/12/95/844551295.db2.gz QCYKPRNZELXYPW-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082828981 840577111 /nfs/dbraw/zinc/57/71/11/840577111.db2.gz WCMNOEXAZIRCPP-IUODEOHRSA-N 2 0 353.492 0.585 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C)C(N)=O ZINC001082851993 840584026 /nfs/dbraw/zinc/58/40/26/840584026.db2.gz NVEYUVYTYHOVOQ-XOKHGSTOSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082861446 840586645 /nfs/dbraw/zinc/58/66/45/840586645.db2.gz BALKIKXXCFKLFE-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923556 840604550 /nfs/dbraw/zinc/60/45/50/840604550.db2.gz PLSMNCWRQYRBIM-UMVBOHGHSA-N 2 0 367.519 0.751 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082943624 840616612 /nfs/dbraw/zinc/61/66/12/840616612.db2.gz SVUSGZPNBQHQCO-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082941903 840617364 /nfs/dbraw/zinc/61/73/64/840617364.db2.gz SSKBMQFPZOLVQV-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]32)CC1 ZINC001083183192 840779490 /nfs/dbraw/zinc/77/94/90/840779490.db2.gz SBJFXYPMPWSZSA-FGTMMUONSA-N 2 0 351.491 0.809 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]32)CC1 ZINC001083183193 840779580 /nfs/dbraw/zinc/77/95/80/840779580.db2.gz SBJFXYPMPWSZSA-OKZBNKHCSA-N 2 0 351.491 0.809 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)CC1 ZINC001083183233 840780543 /nfs/dbraw/zinc/78/05/43/840780543.db2.gz UMCHXCBYQTUSIT-ZWKOTPCHSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579728 844574447 /nfs/dbraw/zinc/57/44/47/844574447.db2.gz MNDAFTCGMYREAA-IXDOHACOSA-N 2 0 371.547 0.591 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248195 840831056 /nfs/dbraw/zinc/83/10/56/840831056.db2.gz VITICJHVEYKFTN-OKZBNKHCSA-N 2 0 351.491 0.666 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274860 840857254 /nfs/dbraw/zinc/85/72/54/840857254.db2.gz CVTUSUPFFXNRFQ-OKZBNKHCSA-N 2 0 351.491 0.666 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601768 844594351 /nfs/dbraw/zinc/59/43/51/844594351.db2.gz OZLYBJQRIPNJLK-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)CC1 ZINC001083469657 841041382 /nfs/dbraw/zinc/04/13/82/841041382.db2.gz CIURZNITSLVLGD-NCOADZHNSA-N 2 0 357.470 0.254 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519010 841115128 /nfs/dbraw/zinc/11/51/28/841115128.db2.gz ZJHFAXCRTNATAM-KSZLIROESA-N 2 0 353.507 0.552 20 0 FCADRP CSc1ncc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001275795519 861193835 /nfs/dbraw/zinc/19/38/35/861193835.db2.gz GJTLHSPGJGONCR-KRWDZBQOSA-N 2 0 364.519 0.767 20 0 FCADRP Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001275799912 861195864 /nfs/dbraw/zinc/19/58/64/861195864.db2.gz PKWLFIZMKKWNIE-HNNXBMFYSA-N 2 0 364.515 0.943 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083833158 841478226 /nfs/dbraw/zinc/47/82/26/841478226.db2.gz LPYLMYXNHNZUSF-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2O)cn1 ZINC001083851002 841500458 /nfs/dbraw/zinc/50/04/58/841500458.db2.gz GQXFDBVIUDHRIZ-CVEARBPZSA-N 2 0 351.495 0.656 20 0 FCADRP CC(=O)[C@@H](C)N1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833365 861218677 /nfs/dbraw/zinc/21/86/77/861218677.db2.gz CIULDASTJJPPSJ-DNVCBOLYSA-N 2 0 351.491 0.999 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054074 841668085 /nfs/dbraw/zinc/66/80/85/841668085.db2.gz VMWBLVKMDYYGNA-OIISXLGYSA-N 2 0 351.878 0.996 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001084091982 841700262 /nfs/dbraw/zinc/70/02/62/841700262.db2.gz ZSKQBPDFVUBFCQ-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001085201939 842042555 /nfs/dbraw/zinc/04/25/55/842042555.db2.gz GQZCHRIJGQZBPO-KLHDSHLOSA-N 2 0 351.495 0.369 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085333147 842079184 /nfs/dbraw/zinc/07/91/84/842079184.db2.gz BTMBJJXLSYIHSH-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001085388920 842091469 /nfs/dbraw/zinc/09/14/69/842091469.db2.gz JPXDWCVCPADODP-IAOVAPTHSA-N 2 0 350.507 0.999 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001086659306 842144124 /nfs/dbraw/zinc/14/41/24/842144124.db2.gz RKMQSMMCAMRCBH-RRFJBIMHSA-N 2 0 352.458 0.716 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086734935 842162357 /nfs/dbraw/zinc/16/23/57/842162357.db2.gz ZHDWXJWZOQTIII-XHSDSOJGSA-N 2 0 351.495 0.370 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001086793743 842175021 /nfs/dbraw/zinc/17/50/21/842175021.db2.gz JULKHZIBACISOR-YQQAZPJKSA-N 2 0 371.547 0.637 20 0 FCADRP CNC(=O)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924511 842193123 /nfs/dbraw/zinc/19/31/23/842193123.db2.gz URHIWMUHBGWKCD-ARFHVFGLSA-N 2 0 350.507 0.776 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087035266 842231994 /nfs/dbraw/zinc/23/19/94/842231994.db2.gz TXHPDOPZZGTHHP-VNQPRFMTSA-N 2 0 351.451 0.425 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087055355 842251255 /nfs/dbraw/zinc/25/12/55/842251255.db2.gz IHIPMDYXZDHAHT-RRCSTGOVSA-N 2 0 367.519 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087062909 842259307 /nfs/dbraw/zinc/25/93/07/842259307.db2.gz ADPQYIHXEUSJIL-FVQBIDKESA-N 2 0 367.519 0.976 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087249227 842326861 /nfs/dbraw/zinc/32/68/61/842326861.db2.gz QBZAWEHSKNFMBK-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087797121 842433631 /nfs/dbraw/zinc/43/36/31/842433631.db2.gz YWKSGZKZUUMRIR-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966104 842481906 /nfs/dbraw/zinc/48/19/06/842481906.db2.gz LDKWRIZHPVKIGY-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986385 842491383 /nfs/dbraw/zinc/49/13/83/842491383.db2.gz JAVMCCKOOHTIIB-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP COCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012671 842499898 /nfs/dbraw/zinc/49/98/98/842499898.db2.gz WTLSXQWAOWVAQM-SJORKVTESA-N 2 0 353.507 0.772 20 0 FCADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012696 842500207 /nfs/dbraw/zinc/50/02/07/842500207.db2.gz YAKVYGWBGLZKHW-BBWFWOEESA-N 2 0 353.507 0.506 20 0 FCADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012697 842500474 /nfs/dbraw/zinc/50/04/74/842500474.db2.gz YAKVYGWBGLZKHW-ZACQAIPSSA-N 2 0 353.507 0.506 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107065 842533739 /nfs/dbraw/zinc/53/37/39/842533739.db2.gz FPFIQEQPWRIYOA-PMPSAXMXSA-N 2 0 350.507 0.763 20 0 FCADRP COC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154297 842546684 /nfs/dbraw/zinc/54/66/84/842546684.db2.gz GGYFIOAHZPKBBT-BBWFWOEESA-N 2 0 353.507 0.912 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225544 843413099 /nfs/dbraw/zinc/41/30/99/843413099.db2.gz MYLAVEJPNNUDFY-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093285537 843420758 /nfs/dbraw/zinc/42/07/58/843420758.db2.gz QTYVXHYCKMXJCJ-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093284925 843421042 /nfs/dbraw/zinc/42/10/42/843421042.db2.gz LORIBBOSPVSOJS-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276326594 861418643 /nfs/dbraw/zinc/41/86/43/861418643.db2.gz UAXVINWWLSMQSY-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1=O ZINC001093821162 843475458 /nfs/dbraw/zinc/47/54/58/843475458.db2.gz TTXMBFLMPWYMGW-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001094220874 843532306 /nfs/dbraw/zinc/53/23/06/843532306.db2.gz AOEGZLQCMRXTIK-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001094224624 843532467 /nfs/dbraw/zinc/53/24/67/843532467.db2.gz UQZSATACJPQEHP-QLFBSQMISA-N 2 0 351.451 0.222 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](C)C1 ZINC001094224391 843532622 /nfs/dbraw/zinc/53/26/22/843532622.db2.gz IMJSLDWYFKAQBG-OWCLPIDISA-N 2 0 350.463 0.827 20 0 FCADRP COCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001276369578 861433287 /nfs/dbraw/zinc/43/32/87/861433287.db2.gz WFXNLLIZLQLPCZ-GOSISDBHSA-N 2 0 350.463 0.861 20 0 FCADRP C[C@@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371458 843911075 /nfs/dbraw/zinc/91/10/75/843911075.db2.gz RNOKXPROMWWXIS-JFIYKMOQSA-N 2 0 355.523 0.773 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099028093 843956854 /nfs/dbraw/zinc/95/68/54/843956854.db2.gz RYXFRWGMWXMVLE-DOXZYTNZSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103084049 844697397 /nfs/dbraw/zinc/69/73/97/844697397.db2.gz VYWXIXIPIZSYMH-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083665 844697715 /nfs/dbraw/zinc/69/77/15/844697715.db2.gz CNFFGCDWEJHHIF-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141417 844706778 /nfs/dbraw/zinc/70/67/78/844706778.db2.gz DYSYSCVJYNGPOS-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148247 844708662 /nfs/dbraw/zinc/70/86/62/844708662.db2.gz TUHTVKWHJCBCTD-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185663 844718728 /nfs/dbraw/zinc/71/87/28/844718728.db2.gz JQOLAGIUTFGMMP-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398180 844751191 /nfs/dbraw/zinc/75/11/91/844751191.db2.gz GPMSKUGHRCUYCX-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438518 844758662 /nfs/dbraw/zinc/75/86/62/844758662.db2.gz NQROJWZIVCKYRW-ZACQAIPSSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520406 844771690 /nfs/dbraw/zinc/77/16/90/844771690.db2.gz MFQSGTNHSLKMCJ-OWCLPIDISA-N 2 0 351.495 0.513 20 0 FCADRP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCCN(CCC[NH+](C)C)C2)C1=O ZINC001276609155 861495847 /nfs/dbraw/zinc/49/58/47/861495847.db2.gz HMPSEODRDKHDFI-SFHVURJKSA-N 2 0 352.479 0.304 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(CCC[NH+](C)C)C2 ZINC001276608817 861496050 /nfs/dbraw/zinc/49/60/50/861496050.db2.gz FFBRHJSGIZGQLE-YJBOKZPZSA-N 2 0 355.479 0.441 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612615 844787288 /nfs/dbraw/zinc/78/72/88/844787288.db2.gz LYOBTEAAUPEQBH-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[NH+](C)CCC[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCC(=O)N3)C2)CC1 ZINC001276609974 861497818 /nfs/dbraw/zinc/49/78/18/861497818.db2.gz ODNLNQVTCITXHL-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103642938 844793663 /nfs/dbraw/zinc/79/36/63/844793663.db2.gz BBXISGKSCNZKGO-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643976 844794162 /nfs/dbraw/zinc/79/41/62/844794162.db2.gz ZVCHBMCDGLTVDS-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721627 844807728 /nfs/dbraw/zinc/80/77/28/844807728.db2.gz ZYAMMBDCUOSGFE-OAGGEKHMSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104202504 844876629 /nfs/dbraw/zinc/87/66/29/844876629.db2.gz DDHYOMFAEHJSTK-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104213659 844877775 /nfs/dbraw/zinc/87/77/75/844877775.db2.gz JRXUYOCQWQIMLZ-WCXIOVBPSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001104213527 844877810 /nfs/dbraw/zinc/87/78/10/844877810.db2.gz CGVKGFJZWYYGAO-WCXIOVBPSA-N 2 0 373.563 0.836 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104256496 844883347 /nfs/dbraw/zinc/88/33/47/844883347.db2.gz CIYTZUZLMMUNQB-ZACQAIPSSA-N 2 0 361.502 0.749 20 0 FCADRP CCCCN1C[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630441 861507861 /nfs/dbraw/zinc/50/78/61/861507861.db2.gz XCZLYJUSDXJZCJ-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291831 844891515 /nfs/dbraw/zinc/89/15/15/844891515.db2.gz WSTKZYNFEWFINE-KYJSFNMBSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)CC1 ZINC001276636135 861508509 /nfs/dbraw/zinc/50/85/09/861508509.db2.gz JQGRSXOIKNRBBU-IBGZPJMESA-N 2 0 350.507 0.480 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001104322499 844894196 /nfs/dbraw/zinc/89/41/96/844894196.db2.gz NVFVSWDDKWVXAG-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001104350668 844896671 /nfs/dbraw/zinc/89/66/71/844896671.db2.gz DUSFSQSXVHGIAX-IXDOHACOSA-N 2 0 355.523 0.800 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001104639277 844928049 /nfs/dbraw/zinc/92/80/49/844928049.db2.gz NVFVSWDDKWVXAG-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(CC[NH+]3CCCCC3)C2)C1=O ZINC001276639660 861512867 /nfs/dbraw/zinc/51/28/67/861512867.db2.gz LXVLSFSRRXKITH-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683928 844932250 /nfs/dbraw/zinc/93/22/50/844932250.db2.gz VLHJNSYYWUJGHY-BRWVUGGUSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001104678777 844932760 /nfs/dbraw/zinc/93/27/60/844932760.db2.gz BIMYVDLSZFVDKN-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001104872529 844954142 /nfs/dbraw/zinc/95/41/42/844954142.db2.gz MISILSVMFQQHNY-RBSFLKMASA-N 2 0 351.499 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001105010303 844968939 /nfs/dbraw/zinc/96/89/39/844968939.db2.gz GPRBNVDGIPSMSB-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243959 844984378 /nfs/dbraw/zinc/98/43/78/844984378.db2.gz MJKQKSYJPFTYGK-XJKCOSOUSA-N 2 0 352.458 0.839 20 0 FCADRP C[C@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243954 844984511 /nfs/dbraw/zinc/98/45/11/844984511.db2.gz MJKQKSYJPFTYGK-WOSRLPQWSA-N 2 0 352.458 0.839 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105651644 845009057 /nfs/dbraw/zinc/00/90/57/845009057.db2.gz IAEFOXGSZRPCHT-YKTARERQSA-N 2 0 353.507 0.287 20 0 FCADRP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105657960 845010654 /nfs/dbraw/zinc/01/06/54/845010654.db2.gz BPTAZMNAZOMMNW-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105664158 845012682 /nfs/dbraw/zinc/01/26/82/845012682.db2.gz WXUPUXSECOBZDV-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668104 845014663 /nfs/dbraw/zinc/01/46/63/845014663.db2.gz HRDWNIWLLVJSLJ-FPAYPSAMSA-N 2 0 353.507 0.431 20 0 FCADRP CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001105668036 845014824 /nfs/dbraw/zinc/01/48/24/845014824.db2.gz VZEGAWFPUMUKIL-XYVMCAHJSA-N 2 0 359.486 0.500 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CCCCCC(N)=O)C2)C1=O ZINC001276670704 861525717 /nfs/dbraw/zinc/52/57/17/861525717.db2.gz KBXWXCJDPOIILG-SFHVURJKSA-N 2 0 352.479 0.435 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001105946286 845064726 /nfs/dbraw/zinc/06/47/26/845064726.db2.gz PLWGJQLPFZAZRF-JHJVBQTASA-N 2 0 366.491 0.255 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001105945323 845065202 /nfs/dbraw/zinc/06/52/02/845065202.db2.gz SYGPCYJWFLJNHD-MGPQQGTHSA-N 2 0 365.503 0.860 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC001276678088 861532212 /nfs/dbraw/zinc/53/22/12/861532212.db2.gz KATDDVMJANADEW-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106146290 845113957 /nfs/dbraw/zinc/11/39/57/845113957.db2.gz VFLPPLAIWHPAQX-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198465 845129807 /nfs/dbraw/zinc/12/98/07/845129807.db2.gz BTWGYZYSYURUGE-OAGGEKHMSA-N 2 0 358.502 0.877 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246495 845141993 /nfs/dbraw/zinc/14/19/93/845141993.db2.gz MEDHWPPWLCMLSI-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249550 845143075 /nfs/dbraw/zinc/14/30/75/845143075.db2.gz KGXWJFBBEVPXMD-QGPMSJSTSA-N 2 0 352.523 0.879 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249642 845143145 /nfs/dbraw/zinc/14/31/45/845143145.db2.gz LUOZYAVNKWHGJG-KYJSFNMBSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1)[NH+](C)C ZINC001106308864 845151775 /nfs/dbraw/zinc/15/17/75/845151775.db2.gz FJOSUOWJDUUWDK-DJIMGWMZSA-N 2 0 352.523 0.927 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106570983 845196732 /nfs/dbraw/zinc/19/67/32/845196732.db2.gz IGLSLHHNKUBTLL-FGTMMUONSA-N 2 0 355.523 0.801 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001106599531 845202318 /nfs/dbraw/zinc/20/23/18/845202318.db2.gz KPKWZPITCYWPDF-HUUCEWRRSA-N 2 0 354.474 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106603170 845202390 /nfs/dbraw/zinc/20/23/90/845202390.db2.gz YYESKBQTGOFUEL-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106603169 845202880 /nfs/dbraw/zinc/20/28/80/845202880.db2.gz YYESKBQTGOFUEL-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001106597963 845203002 /nfs/dbraw/zinc/20/30/02/845203002.db2.gz RNTYTRPVLSGMNY-ZIAGYGMSSA-N 2 0 352.483 0.662 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621269 845207171 /nfs/dbraw/zinc/20/71/71/845207171.db2.gz BDFYACURRQPIHM-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)[NH+](C)C ZINC001106635404 845209325 /nfs/dbraw/zinc/20/93/25/845209325.db2.gz ZLFGSVFSNDBFHS-QGPMSJSTSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106664874 845218239 /nfs/dbraw/zinc/21/82/39/845218239.db2.gz BLLKFJCTNLFDPJ-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106785200 845253103 /nfs/dbraw/zinc/25/31/03/845253103.db2.gz ZTYHMZOAMUVCEV-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106878093 845277507 /nfs/dbraw/zinc/27/75/07/845277507.db2.gz FMJWZUCXNCDQOG-HUUCEWRRSA-N 2 0 352.483 0.060 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878555 845277528 /nfs/dbraw/zinc/27/75/28/845277528.db2.gz QZIFPZHFOVHFPY-HZPDHXFCSA-N 2 0 356.511 0.116 20 0 FCADRP Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106882637 845278724 /nfs/dbraw/zinc/27/87/24/845278724.db2.gz ZALCVOHNYSTZFN-UMVBOHGHSA-N 2 0 353.467 0.701 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980778 845299213 /nfs/dbraw/zinc/29/92/13/845299213.db2.gz AVRYPFUGPPDOPB-FVQBIDKESA-N 2 0 366.531 0.854 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439086 845373109 /nfs/dbraw/zinc/37/31/09/845373109.db2.gz RBDGVHMYYXGSRE-VQIMIIECSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107500698 845385919 /nfs/dbraw/zinc/38/59/19/845385919.db2.gz OLNLKTAYNGJGNT-SFNKJDCFSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107522581 845389548 /nfs/dbraw/zinc/38/95/48/845389548.db2.gz JCZDLCRBCXCYCC-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568188 845399850 /nfs/dbraw/zinc/39/98/50/845399850.db2.gz UPUSONLMSNDQNK-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608443 845408076 /nfs/dbraw/zinc/40/80/76/845408076.db2.gz RQOGQMFSOVVGMT-JFIYKMOQSA-N 2 0 351.491 0.450 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632167 845412437 /nfs/dbraw/zinc/41/24/37/845412437.db2.gz UDXNLZXHPAIZAG-GPMSIDNRSA-N 2 0 350.507 0.824 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632091 845412459 /nfs/dbraw/zinc/41/24/59/845412459.db2.gz PZPHILIECKZCNQ-GPMSIDNRSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001109673333 845711569 /nfs/dbraw/zinc/71/15/69/845711569.db2.gz IZVHKMNZHKYWND-RFGFWPKPSA-N 2 0 367.412 0.599 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918585 845760465 /nfs/dbraw/zinc/76/04/65/845760465.db2.gz PSEULOQOTFHLQP-BDXSIMOUSA-N 2 0 353.507 0.836 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](C[C@@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798136 861612890 /nfs/dbraw/zinc/61/28/90/861612890.db2.gz AYKDBNXPTOTROQ-QAPCUYQASA-N 2 0 357.495 0.027 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753286 846191520 /nfs/dbraw/zinc/19/15/20/846191520.db2.gz QFNHIQHBZMWHMR-GGXPGOJBSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2)[NH+](C)C ZINC001111788628 846205928 /nfs/dbraw/zinc/20/59/28/846205928.db2.gz IKMGLDKHFGENCJ-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855952 846231253 /nfs/dbraw/zinc/23/12/53/846231253.db2.gz UDOCHRWVMXFMQF-KXBFYZLASA-N 2 0 350.507 0.777 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111857861 846232928 /nfs/dbraw/zinc/23/29/28/846232928.db2.gz BXPVHZFGYOZNSF-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC001111938376 846269861 /nfs/dbraw/zinc/26/98/61/846269861.db2.gz YLQFKPYOMPXZDK-AOIWGVFYSA-N 2 0 353.507 0.962 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC001111939743 846269958 /nfs/dbraw/zinc/26/99/58/846269958.db2.gz PTGPKAQCXKZJTD-LNLFQRSKSA-N 2 0 353.507 0.962 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001111947475 846271835 /nfs/dbraw/zinc/27/18/35/846271835.db2.gz KXMRTGIFSBRHCN-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111952584 846273678 /nfs/dbraw/zinc/27/36/78/846273678.db2.gz PCUUCKFEAWPJNZ-IYOUNJFTSA-N 2 0 350.463 0.104 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC1CC1)C2 ZINC001112004457 846290590 /nfs/dbraw/zinc/29/05/90/846290590.db2.gz CXKOUQOYURLXAJ-VCBZYWHSSA-N 2 0 350.507 0.964 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154292 846422561 /nfs/dbraw/zinc/42/25/61/846422561.db2.gz DZAUUNJWCAIYQM-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206568 846463090 /nfs/dbraw/zinc/46/30/90/846463090.db2.gz UWAJJSURHUSCIP-YNEHKIRRSA-N 2 0 353.385 0.068 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112284882 846487480 /nfs/dbraw/zinc/48/74/80/846487480.db2.gz CMRYCWQTOKFSQN-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1 ZINC001112284957 846487669 /nfs/dbraw/zinc/48/76/69/846487669.db2.gz GCWASPSCTWIYFY-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CCC1 ZINC001112401388 846500856 /nfs/dbraw/zinc/50/08/56/846500856.db2.gz BAPOJUYSRWWTDR-LPHOPBHVSA-N 2 0 353.507 0.698 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112431650 846503783 /nfs/dbraw/zinc/50/37/83/846503783.db2.gz NGHVHIXTNUTULU-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112510946 846511526 /nfs/dbraw/zinc/51/15/26/846511526.db2.gz LXLMOTQZQIIGNT-ZMMAXQRCSA-N 2 0 353.507 0.696 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531681 846516637 /nfs/dbraw/zinc/51/66/37/846516637.db2.gz KZHGQIMFYSXASQ-KXBFYZLASA-N 2 0 352.523 0.929 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540458 846518758 /nfs/dbraw/zinc/51/87/58/846518758.db2.gz XYLCOCZASUKJSK-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112540237 846518846 /nfs/dbraw/zinc/51/88/46/846518846.db2.gz MRDJPOIMQYGRAB-BXWFABGCSA-N 2 0 350.507 0.953 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112568060 846526009 /nfs/dbraw/zinc/52/60/09/846526009.db2.gz VSQQWZUHAYEDIL-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578521 846529298 /nfs/dbraw/zinc/52/92/98/846529298.db2.gz SLRJADOQSYMVHC-BXWFABGCSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCCCNC1=O)[C@@H]1CCCCNC1=O ZINC001116414607 846676881 /nfs/dbraw/zinc/67/68/81/846676881.db2.gz QMHDQBNNLDUKDA-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001117122030 846898739 /nfs/dbraw/zinc/89/87/39/846898739.db2.gz FNRADXBEGDAOKX-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001117356479 846978181 /nfs/dbraw/zinc/97/81/81/846978181.db2.gz LUNJJIXDXJXDCB-LUKYLMHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC001117847292 847183740 /nfs/dbraw/zinc/18/37/40/847183740.db2.gz PGLUJTZOIQQMDR-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC001117858761 847187701 /nfs/dbraw/zinc/18/77/01/847187701.db2.gz QNOHWEWIPQSPRQ-GOSISDBHSA-N 2 0 370.563 0.684 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC[NH2+]CC1 ZINC001118206084 847323548 /nfs/dbraw/zinc/32/35/48/847323548.db2.gz VBSKGDMINGQDFT-UHFFFAOYSA-N 2 0 372.516 0.715 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118631655 847507432 /nfs/dbraw/zinc/50/74/32/847507432.db2.gz XJSSTEYTYWEAJV-RDJZCZTQSA-N 2 0 353.511 0.175 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001119108513 847724085 /nfs/dbraw/zinc/72/40/85/847724085.db2.gz FRPFJBCCSVFXCG-UHFFFAOYSA-N 2 0 351.539 0.252 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001119343063 847817210 /nfs/dbraw/zinc/81/72/10/847817210.db2.gz BLNCHUNYWHWCDQ-HZSPNIEDSA-N 2 0 350.488 0.949 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119484061 847859241 /nfs/dbraw/zinc/85/92/41/847859241.db2.gz ZWZSFZDBOFCACK-INIZCTEOSA-N 2 0 355.527 0.409 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC001119600490 847906301 /nfs/dbraw/zinc/90/63/01/847906301.db2.gz JMLCRRVUUTZTMR-QGZVFWFLSA-N 2 0 350.507 0.528 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121928366 848419821 /nfs/dbraw/zinc/41/98/21/848419821.db2.gz NVYCOPKOKRUYCS-OAHLLOKOSA-N 2 0 351.495 0.275 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001121928022 848420070 /nfs/dbraw/zinc/42/00/70/848420070.db2.gz MAIVPTVUGUORRK-KURKYZTESA-N 2 0 352.523 0.677 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001122009385 848434065 /nfs/dbraw/zinc/43/40/65/848434065.db2.gz NUPOFEORUSSYDV-BDXSIMOUSA-N 2 0 352.523 0.676 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)C2)C1 ZINC001122126732 848451823 /nfs/dbraw/zinc/45/18/23/848451823.db2.gz PQIVDKIGTLZSPV-LZWOXQAQSA-N 2 0 350.463 0.630 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001123839300 848644100 /nfs/dbraw/zinc/64/41/00/848644100.db2.gz XAQGEKOIKCMAJO-ZACQAIPSSA-N 2 0 355.527 0.421 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001127570777 848725844 /nfs/dbraw/zinc/72/58/44/848725844.db2.gz FLBZVVDTQQSTHJ-JQHSSLGASA-N 2 0 353.507 0.866 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC001127643683 848729935 /nfs/dbraw/zinc/72/99/35/848729935.db2.gz GQVLCAPMVKRSBK-RHSMWYFYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001127643804 848730238 /nfs/dbraw/zinc/73/02/38/848730238.db2.gz MIJAWZXDOZRISR-GDBMZVCRSA-N 2 0 368.503 0.011 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127643852 848730454 /nfs/dbraw/zinc/73/04/54/848730454.db2.gz NZILGLQOOHBVTC-IJLUTSLNSA-N 2 0 350.385 0.196 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127705348 848733244 /nfs/dbraw/zinc/73/32/44/848733244.db2.gz ARGKSSSAYABAED-SDDRHHMPSA-N 2 0 352.401 0.490 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129030094 848798561 /nfs/dbraw/zinc/79/85/61/848798561.db2.gz QVAOBAXQWNJWGF-KFWWJZLASA-N 2 0 358.437 0.659 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219886 848819007 /nfs/dbraw/zinc/81/90/07/848819007.db2.gz MEKQGVWHHVWYFW-ZNMIVQPWSA-N 2 0 352.458 0.710 20 0 FCADRP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384909 848837774 /nfs/dbraw/zinc/83/77/74/848837774.db2.gz BOGVUGKCLAJOKL-OAGGEKHMSA-N 2 0 352.483 0.244 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400428 848839613 /nfs/dbraw/zinc/83/96/13/848839613.db2.gz NWTLRXNYPMJQMR-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400429 848839673 /nfs/dbraw/zinc/83/96/73/848839673.db2.gz NWTLRXNYPMJQMR-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460803 848847971 /nfs/dbraw/zinc/84/79/71/848847971.db2.gz OQJMWJFBSZOXOS-OAGGEKHMSA-N 2 0 352.483 0.385 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129919173 848916359 /nfs/dbraw/zinc/91/63/59/848916359.db2.gz PLPIUUZOQNSBTM-KFWWJZLASA-N 2 0 352.483 0.385 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983126 848926306 /nfs/dbraw/zinc/92/63/06/848926306.db2.gz NLYAAOBTUJARLA-ZNMIVQPWSA-N 2 0 352.458 0.710 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130075623 848939249 /nfs/dbraw/zinc/93/92/49/848939249.db2.gz XIJZTOWUVKCKKG-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136935 848950632 /nfs/dbraw/zinc/95/06/32/848950632.db2.gz AAOQGYWKQBNWHV-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001130298953 848998137 /nfs/dbraw/zinc/99/81/37/848998137.db2.gz ONMLPYSWAGVRPV-QAPCUYQASA-N 2 0 356.486 0.773 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001130298673 848998227 /nfs/dbraw/zinc/99/82/27/848998227.db2.gz ASWRHRAZUWVQBY-WBVHZDCISA-N 2 0 350.507 0.824 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130611885 849019268 /nfs/dbraw/zinc/01/92/68/849019268.db2.gz JSFOPUXERINITJ-UAGQMJEPSA-N 2 0 351.495 0.537 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670054 849025629 /nfs/dbraw/zinc/02/56/29/849025629.db2.gz OWQBUTIYQWNNRW-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130717837 849028750 /nfs/dbraw/zinc/02/87/50/849028750.db2.gz UOCCMURWWXJRIN-DOTOQJQBSA-N 2 0 351.495 0.418 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1)[NH+](C)C ZINC001130790203 849044447 /nfs/dbraw/zinc/04/44/47/849044447.db2.gz MUKFTMGAPQOYLU-BFHYXJOUSA-N 2 0 352.483 0.979 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)[NH+](C)C ZINC001130809464 849047601 /nfs/dbraw/zinc/04/76/01/849047601.db2.gz ZTXZEDMAVCRGTK-RWMBFGLXSA-N 2 0 356.446 0.540 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)CCC)n2)O1 ZINC001130816393 849047968 /nfs/dbraw/zinc/04/79/68/849047968.db2.gz URLYTOKCWXEBBK-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131091616 849078579 /nfs/dbraw/zinc/07/85/79/849078579.db2.gz LTMVOIDMDUTMLI-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001131115537 849080769 /nfs/dbraw/zinc/08/07/69/849080769.db2.gz RGYXRZVLMNBNQR-BZUAXINKSA-N 2 0 351.495 0.417 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131510412 849115207 /nfs/dbraw/zinc/11/52/07/849115207.db2.gz HJLFNENTAWLKOU-BBWFWOEESA-N 2 0 359.486 0.644 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131519111 849117077 /nfs/dbraw/zinc/11/70/77/849117077.db2.gz FXYZHJVJDBCQIB-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001131570088 849124587 /nfs/dbraw/zinc/12/45/87/849124587.db2.gz AMDNCADXWJDSSV-VYDXJSESSA-N 2 0 354.495 0.058 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131587792 849127868 /nfs/dbraw/zinc/12/78/68/849127868.db2.gz AABQAHOMVCNRQH-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593239 849128677 /nfs/dbraw/zinc/12/86/77/849128677.db2.gz SROXRHSNOYBFDW-AEFFLSMTSA-N 2 0 357.495 0.197 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131594812 849128703 /nfs/dbraw/zinc/12/87/03/849128703.db2.gz FLZJTOBJYLKSJZ-QAPCUYQASA-N 2 0 354.495 0.189 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)on1 ZINC001136542063 849227040 /nfs/dbraw/zinc/22/70/40/849227040.db2.gz VTEBBQANRWNCNS-ZDUSSCGKSA-N 2 0 352.435 0.949 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277695618 862001691 /nfs/dbraw/zinc/00/16/91/862001691.db2.gz QEMAJYJAQAXHOL-SMDDNHRTSA-N 2 0 351.369 0.312 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H](O)C(F)(F)F)C2 ZINC001277694499 862001916 /nfs/dbraw/zinc/00/19/16/862001916.db2.gz JZMJSZUGQIIHQO-GXTWGEPZSA-N 2 0 353.385 0.022 20 0 FCADRP C[NH+]1CCC(CC(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001143353489 849484097 /nfs/dbraw/zinc/48/40/97/849484097.db2.gz LGJAFGSQEKRWLF-UHFFFAOYSA-N 2 0 370.475 0.340 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1 ZINC001144943544 849540558 /nfs/dbraw/zinc/54/05/58/849540558.db2.gz WNFNSPBJZATSOX-BVIKNXMNSA-N 2 0 351.447 0.406 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CC1 ZINC001146780319 849566030 /nfs/dbraw/zinc/56/60/30/849566030.db2.gz WZIPSWYJXGGLJO-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582875 849585454 /nfs/dbraw/zinc/58/54/54/849585454.db2.gz HCAFXVJOXRIUDX-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1[nH]nc2ncc(Br)cc21 ZINC001151743568 849693637 /nfs/dbraw/zinc/69/36/37/849693637.db2.gz ZAQSJIWCISUXDU-UHFFFAOYSA-N 2 0 354.212 0.795 20 0 FCADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451804 849746513 /nfs/dbraw/zinc/74/65/13/849746513.db2.gz JNSIQEFPAMBLTR-RBSFLKMASA-N 2 0 362.540 0.045 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1cc(C2C[NH2+]C2)ncn1)[C@H]1CC[NH2+]C1 ZINC001157120554 849950342 /nfs/dbraw/zinc/95/03/42/849950342.db2.gz DGYWDQXZAOATBD-ZDUSSCGKSA-N 2 0 360.443 0.116 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N(C)C[C@H]2C[NH2+]CCO2)cc1 ZINC001157721489 849988676 /nfs/dbraw/zinc/98/86/76/849988676.db2.gz YPTZZAAINLTAKT-CVEARBPZSA-N 2 0 353.488 0.703 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC1 ZINC001157755777 849990479 /nfs/dbraw/zinc/99/04/79/849990479.db2.gz SKIAPCWAOXSWJD-FZMZJTMJSA-N 2 0 370.391 0.842 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810381 849996944 /nfs/dbraw/zinc/99/69/44/849996944.db2.gz MXKFUJKCNYOOGQ-AICCOOGYSA-N 2 0 358.552 0.793 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC001157916021 850005062 /nfs/dbraw/zinc/00/50/62/850005062.db2.gz KAQQIGZHVBCOBX-UHFFFAOYSA-N 2 0 366.491 0.850 20 0 FCADRP CC(C)N(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001158021339 850013846 /nfs/dbraw/zinc/01/38/46/850013846.db2.gz HURSTUWDYDXFBS-LBPRGKRZSA-N 2 0 353.492 0.145 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032912 850014647 /nfs/dbraw/zinc/01/46/47/850014647.db2.gz XXUZIDLLKWNEMF-IEBWSBKVSA-N 3 0 351.539 0.509 20 0 FCADRP Cc1ccc(CSC[C@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158102654 850018175 /nfs/dbraw/zinc/01/81/75/850018175.db2.gz UVWRMOQIPGAODL-YJBOKZPZSA-N 2 0 362.499 0.246 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCOCCO)O1 ZINC001158124493 850019698 /nfs/dbraw/zinc/01/96/98/850019698.db2.gz PTBPNJOTRPQQOH-BRWVUGGUSA-N 2 0 357.495 0.027 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158180038 850020881 /nfs/dbraw/zinc/02/08/81/850020881.db2.gz RBJSEPGDIFTKSK-HYVNUMGLSA-N 2 0 365.499 0.703 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158249374 850028505 /nfs/dbraw/zinc/02/85/05/850028505.db2.gz LYMHHEKKRRVOIQ-QWRGUYRKSA-N 3 0 354.442 0.681 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250522 850029769 /nfs/dbraw/zinc/02/97/69/850029769.db2.gz URJTVGOPPFWHNS-UPJWGTAASA-N 2 0 363.380 0.813 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306981 850036051 /nfs/dbraw/zinc/03/60/51/850036051.db2.gz ZRNOUVJRWHTSIG-LXFSFDBISA-N 2 0 356.536 0.418 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@]1(C)CCC[NH2+]1)C2 ZINC001158379741 850041363 /nfs/dbraw/zinc/04/13/63/850041363.db2.gz FXTDXNNNQYTNPI-QLFBSQMISA-N 2 0 363.380 0.672 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@]1(C)CCC[NH2+]1)C2 ZINC001158379739 850041570 /nfs/dbraw/zinc/04/15/70/850041570.db2.gz FXTDXNNNQYTNPI-ILXRZTDVSA-N 2 0 363.380 0.672 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1CC(C[NH3+])C1)C2 ZINC001158384350 850044580 /nfs/dbraw/zinc/04/45/80/850044580.db2.gz VKCPSZYASDKQPL-HBGGEXNNSA-N 2 0 363.380 0.515 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001158404506 850048048 /nfs/dbraw/zinc/04/80/48/850048048.db2.gz ULRMVIVKFRVDFS-UONOGXRCSA-N 2 0 351.451 0.748 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422295 850048533 /nfs/dbraw/zinc/04/85/33/850048533.db2.gz JVLMLRDBNBEYLI-CRWXNKLISA-N 2 0 374.576 0.268 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001158506657 850057183 /nfs/dbraw/zinc/05/71/83/850057183.db2.gz PRHXXGPQDSKHCF-UZGDPCLZSA-N 2 0 364.471 0.933 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534792 850059010 /nfs/dbraw/zinc/05/90/10/850059010.db2.gz TYDZEAUFYQDUBI-MOROJQBDSA-N 2 0 353.463 0.286 20 0 FCADRP C[NH+]1CCC(N(c2ncnc(Cl)c2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158581828 850061663 /nfs/dbraw/zinc/06/16/63/850061663.db2.gz XOCMUEUWVROJLR-UHFFFAOYSA-N 2 0 352.870 0.882 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1CCC(C[NH3+])CC1)CC2 ZINC001158890207 850082583 /nfs/dbraw/zinc/08/25/83/850082583.db2.gz BOQUIUQCUGUUBD-UHFFFAOYSA-N 2 0 350.507 0.955 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160859 850098069 /nfs/dbraw/zinc/09/80/69/850098069.db2.gz UESZIDWAPKXKPG-KBPBESRZSA-N 3 0 358.552 0.544 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160921 850098853 /nfs/dbraw/zinc/09/88/53/850098853.db2.gz VRHHZXZPRDWKIA-XACMVJRISA-N 2 0 359.536 0.621 20 0 FCADRP CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159540649 850121022 /nfs/dbraw/zinc/12/10/22/850121022.db2.gz DJVCSKHNOFUPGV-VKJFTORMSA-N 2 0 354.495 0.080 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159585937 850122871 /nfs/dbraw/zinc/12/28/71/850122871.db2.gz VQJFWOLVVBUMTJ-CABCVRRESA-N 2 0 367.519 0.287 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770428 850134640 /nfs/dbraw/zinc/13/46/40/850134640.db2.gz RWIFVNQBTYUEDQ-JJXSEGSLSA-N 2 0 352.479 0.117 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834254 850140083 /nfs/dbraw/zinc/14/00/83/850140083.db2.gz UGXHLAUSYMSFNX-ILXRZTDVSA-N 3 0 361.515 0.375 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834935 850140185 /nfs/dbraw/zinc/14/01/85/850140185.db2.gz WUHBQMZEWMRRGS-RDBSUJKOSA-N 3 0 369.560 0.585 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+]([C@H](C)C(=O)NC)CC2)CC[N@@H+]1C ZINC001160168848 850156848 /nfs/dbraw/zinc/15/68/48/850156848.db2.gz AYXJESNWJFXINA-HYVNUMGLSA-N 2 0 350.507 0.990 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478135 850174829 /nfs/dbraw/zinc/17/48/29/850174829.db2.gz MZNVYGATCKWVQN-UHFFFAOYSA-N 2 0 352.386 0.144 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160476680 850175062 /nfs/dbraw/zinc/17/50/62/850175062.db2.gz KHVVKSDXISWROX-UKRRQHHQSA-N 2 0 354.495 0.317 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611189 850185122 /nfs/dbraw/zinc/18/51/22/850185122.db2.gz SFRIPMQNYISADH-HOTGVXAUSA-N 2 0 351.472 0.388 20 0 FCADRP O=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160610629 850185200 /nfs/dbraw/zinc/18/52/00/850185200.db2.gz IHTQQVFGFARXAQ-QGPMSJSTSA-N 2 0 363.483 0.260 20 0 FCADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160699071 850192552 /nfs/dbraw/zinc/19/25/52/850192552.db2.gz ZAJGFFASZBVGTA-RYUDHWBXSA-N 2 0 352.401 0.621 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@@H]21 ZINC001161082028 850228444 /nfs/dbraw/zinc/22/84/44/850228444.db2.gz NHIDPCLGQKKFIR-AVGNSLFASA-N 2 0 364.412 0.715 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC ZINC001161158181 850235909 /nfs/dbraw/zinc/23/59/09/850235909.db2.gz QWWDCLAQQLYGBU-ZDUSSCGKSA-N 2 0 359.467 0.566 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](COCc1ccccc1)[NH2+]C ZINC001161158159 850236241 /nfs/dbraw/zinc/23/62/41/850236241.db2.gz PZJFMYDYMCPVGW-INIZCTEOSA-N 2 0 351.447 0.532 20 0 FCADRP CC(C)(C)CN(C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001161259131 850245339 /nfs/dbraw/zinc/24/53/39/850245339.db2.gz XCKNSBVCVVCBSF-HNNXBMFYSA-N 2 0 350.507 0.729 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC(N2CCCOC2=O)CC1 ZINC001161264695 850246404 /nfs/dbraw/zinc/24/64/04/850246404.db2.gz RFOYTJRWRYNAIR-OAHLLOKOSA-N 2 0 350.463 0.694 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161308571 850251079 /nfs/dbraw/zinc/25/10/79/850251079.db2.gz DOGPIHXUYSWLLW-AWEZNQCLSA-N 3 0 350.467 0.335 20 0 FCADRP C[NH2+][C@H]1CCCN(CC(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001161321476 850251606 /nfs/dbraw/zinc/25/16/06/850251606.db2.gz GTGJICMUCAOWNE-ULQDDVLXSA-N 2 0 352.523 0.948 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382241 850256020 /nfs/dbraw/zinc/25/60/20/850256020.db2.gz VVDAKOCRYUIGED-JYJNAYRXSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001161438651 850258746 /nfs/dbraw/zinc/25/87/46/850258746.db2.gz KANLCSUVWXDYEA-HIFRSBDPSA-N 2 0 350.488 0.379 20 0 FCADRP C[NH+](C)CCN(C(=O)c1csc(N2CC[NH2+]CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC001161449541 850259232 /nfs/dbraw/zinc/25/92/32/850259232.db2.gz NQMIRXNKGUTNRL-CQSZACIVSA-N 3 0 366.535 0.309 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC2 ZINC001161480313 850262591 /nfs/dbraw/zinc/26/25/91/850262591.db2.gz OVAURTWEAKLOCE-MPGHIAIKSA-N 3 0 354.495 0.236 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1)CC2 ZINC001161481108 850263450 /nfs/dbraw/zinc/26/34/50/850263450.db2.gz WIVDASMLCXTUQD-OHTBPHCPSA-N 2 0 363.380 0.671 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@H](c2ccsc2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161500837 850264995 /nfs/dbraw/zinc/26/49/95/850264995.db2.gz QGDGOOYGGGEUJV-CABCVRRESA-N 2 0 350.488 0.271 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(COCCOC)C2=O)C1 ZINC001277833053 862121587 /nfs/dbraw/zinc/12/15/87/862121587.db2.gz ASWNOJNWXOOTAR-AEFFLSMTSA-N 2 0 357.495 0.234 20 0 FCADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001164576072 850417669 /nfs/dbraw/zinc/41/76/69/850417669.db2.gz MRIDTJUGZSCZHT-IIAWOOMASA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001164582783 850417702 /nfs/dbraw/zinc/41/77/02/850417702.db2.gz PFQNFOGIMWCNRV-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP COc1cnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1NC(C)C ZINC001165339974 850434190 /nfs/dbraw/zinc/43/41/90/850434190.db2.gz GMAJCORZAVUYDZ-KRWDZBQOSA-N 2 0 351.451 0.891 20 0 FCADRP CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nccnc1N1CC[NH2+]CC1 ZINC001166411221 850476239 /nfs/dbraw/zinc/47/62/39/850476239.db2.gz XCBWYBVPUCLGIR-UHFFFAOYSA-N 2 0 362.459 0.443 20 0 FCADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001169075602 850605321 /nfs/dbraw/zinc/60/53/21/850605321.db2.gz ZJKPZUJIOIVIAN-CYBMUJFWSA-N 2 0 364.471 0.260 20 0 FCADRP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132958 850607583 /nfs/dbraw/zinc/60/75/83/850607583.db2.gz ANQGQABRKOTHKE-OREBXVKISA-N 2 0 351.491 0.998 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170046687 850644016 /nfs/dbraw/zinc/64/40/16/850644016.db2.gz GCOHNWCYXWOZSA-OAHLLOKOSA-N 2 0 354.476 0.117 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(O[C@H]3CCC[NH2+]C3)nn2)O1 ZINC001170276597 850648788 /nfs/dbraw/zinc/64/87/88/850648788.db2.gz FGBNAGPTSHIXJN-ZOMKSWQUSA-N 2 0 351.451 0.744 20 0 FCADRP NC(=O)[C@@H]1CCCN1C(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001170897864 850670022 /nfs/dbraw/zinc/67/00/22/850670022.db2.gz PKQMDWXAFPEDJH-RYUDHWBXSA-N 2 0 354.842 0.261 20 0 FCADRP CCOC(=O)CN(CC[NH3+])c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001170995300 850672730 /nfs/dbraw/zinc/67/27/30/850672730.db2.gz JDQDGBMTLIVQQV-UHFFFAOYSA-N 2 0 369.487 0.541 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015548 850701557 /nfs/dbraw/zinc/70/15/57/850701557.db2.gz SDYIYJVYIQDGHI-KBAYOESNSA-N 2 0 351.491 0.809 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172890692 850715071 /nfs/dbraw/zinc/71/50/71/850715071.db2.gz ADLFCUFPMDABJC-HNNXBMFYSA-N 2 0 356.511 0.626 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CCN(c2cc(Cl)ncn2)CC1 ZINC001177682861 850861029 /nfs/dbraw/zinc/86/10/29/850861029.db2.gz XPGBRKAMJNPHFI-UHFFFAOYSA-N 2 0 353.858 0.807 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178663726 850914327 /nfs/dbraw/zinc/91/43/27/850914327.db2.gz DNNDYYIJTWALKL-RYUDHWBXSA-N 2 0 357.455 0.065 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1ccc(OS(C)(=O)=O)cc1 ZINC001180871747 851074723 /nfs/dbraw/zinc/07/47/23/851074723.db2.gz DMRKVVKNDUXJAW-UHFFFAOYSA-N 2 0 370.475 0.631 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525603 851118001 /nfs/dbraw/zinc/11/80/01/851118001.db2.gz NNGUPDKBMOLEGP-YKTARERQSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182033707 851147492 /nfs/dbraw/zinc/14/74/92/851147492.db2.gz MBEHWCOIMQKYKE-UHFFFAOYSA-N 2 0 350.438 0.973 20 0 FCADRP CC(=O)O[C@H]1CO[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)S1 ZINC001182206472 851164490 /nfs/dbraw/zinc/16/44/90/851164490.db2.gz RDHMBCUKQGJFFM-ZBFHGGJFSA-N 2 0 361.508 0.697 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001182677400 851190543 /nfs/dbraw/zinc/19/05/43/851190543.db2.gz ZMRKUZPRIHTYII-RBSFLKMASA-N 2 0 353.511 0.615 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C(=O)Cc1ccc(O)c(OC)c1 ZINC001184255011 851297394 /nfs/dbraw/zinc/29/73/94/851297394.db2.gz BFVVNAVLRNRAPD-UHFFFAOYSA-N 2 0 350.419 0.576 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690200 851720288 /nfs/dbraw/zinc/72/02/88/851720288.db2.gz JKKRMEOIOIBSFP-GVDBMIGSSA-N 2 0 353.507 0.791 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691274 851720478 /nfs/dbraw/zinc/72/04/78/851720478.db2.gz WTKINEYJCZTEFK-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971617 851739362 /nfs/dbraw/zinc/73/93/62/851739362.db2.gz YLLTVPAQSSBLIB-ARFHVFGLSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001189055660 851746418 /nfs/dbraw/zinc/74/64/18/851746418.db2.gz YXNAWHVIJQFEQT-HRCADAONSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667129 851812608 /nfs/dbraw/zinc/81/26/08/851812608.db2.gz BMPJGFFNBIEMEB-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787521 851825118 /nfs/dbraw/zinc/82/51/18/851825118.db2.gz PIWHMTXQKYSQQX-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCC3CCOCC3)C[C@H]21 ZINC001189810910 851827111 /nfs/dbraw/zinc/82/71/11/851827111.db2.gz MMYHVOWKTKYVJO-ZWKOTPCHSA-N 2 0 353.507 0.914 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913483 851841682 /nfs/dbraw/zinc/84/16/82/851841682.db2.gz RZGYGHIMKQWSME-SOUVJXGZSA-N 2 0 350.463 0.056 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001190176847 851870302 /nfs/dbraw/zinc/87/03/02/851870302.db2.gz IHROYPZDCSZWQA-OKZBNKHCSA-N 2 0 351.491 0.811 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212554 851876282 /nfs/dbraw/zinc/87/62/82/851876282.db2.gz FOPZPCGGRJTXJX-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190213128 851876823 /nfs/dbraw/zinc/87/68/23/851876823.db2.gz YDTQTYURBNGKNS-ZWKOTPCHSA-N 2 0 353.507 0.794 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC001278462876 862336044 /nfs/dbraw/zinc/33/60/44/862336044.db2.gz AAWYMFPYIOYCIM-IKGGRYGDSA-N 2 0 350.507 0.097 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CC2CCOCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278464572 862339732 /nfs/dbraw/zinc/33/97/32/862339732.db2.gz MJBVEMGLDSRASH-LJQANCHMSA-N 2 0 352.523 0.631 20 0 FCADRP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194729363 852640316 /nfs/dbraw/zinc/64/03/16/852640316.db2.gz VKJATEIIEGCEIC-CHWSQXEVSA-N 2 0 364.368 0.322 20 0 FCADRP COC(=O)c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)s1 ZINC001278584293 862381001 /nfs/dbraw/zinc/38/10/01/862381001.db2.gz XEJPJGAYNRVJPB-CABCVRRESA-N 2 0 353.488 0.981 20 0 FCADRP CC(=O)NCCOCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894103 852843772 /nfs/dbraw/zinc/84/37/72/852843772.db2.gz RDESJLYCKVJBMT-NVXWUHKLSA-N 2 0 354.495 0.014 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196177382 852905727 /nfs/dbraw/zinc/90/57/27/852905727.db2.gz XUTQXKMIUDSLKC-RKVPGOIHSA-N 2 0 359.486 0.787 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251992 852924998 /nfs/dbraw/zinc/92/49/98/852924998.db2.gz POTAHNCMRQBPIT-GVDBMIGSSA-N 2 0 357.495 0.075 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)CC1 ZINC001197319363 853097374 /nfs/dbraw/zinc/09/73/74/853097374.db2.gz BHAQOZLMKWIVPG-QZTJIDSGSA-N 2 0 351.491 0.759 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492907 853122194 /nfs/dbraw/zinc/12/21/94/853122194.db2.gz AVQQDONSAONLKI-BRWVUGGUSA-N 2 0 353.438 0.362 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197535823 853128053 /nfs/dbraw/zinc/12/80/53/853128053.db2.gz FLHNOBRWMJOSLI-IAGOWNOFSA-N 2 0 353.438 0.321 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001198037936 853208787 /nfs/dbraw/zinc/20/87/87/853208787.db2.gz BZXDGRNJQWDYCP-IAGOWNOFSA-N 2 0 351.495 0.393 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662787 853299013 /nfs/dbraw/zinc/29/90/13/853299013.db2.gz VIBLFEKNSSYBMQ-JHJVBQTASA-N 2 0 353.385 0.068 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057811 853361069 /nfs/dbraw/zinc/36/10/69/853361069.db2.gz UQAUNCYANHVTEK-OPQOLIRYSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057448 853361360 /nfs/dbraw/zinc/36/13/60/853361360.db2.gz JXXOPCZXPGBRTD-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001200643200 853506063 /nfs/dbraw/zinc/50/60/63/853506063.db2.gz BBPXYUMXAAJIPB-JJRVBVJISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001200643993 853506860 /nfs/dbraw/zinc/50/68/60/853506860.db2.gz HTASCCUFUNSRRW-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc2sc(C)cn2c1=O ZINC001201227529 853520332 /nfs/dbraw/zinc/52/03/32/853520332.db2.gz CBWJNZNLIRBGSJ-UHFFFAOYSA-N 2 0 350.448 0.742 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205452389 853610106 /nfs/dbraw/zinc/61/01/06/853610106.db2.gz CZTJEXVJGQAHAL-JKSUJKDBSA-N 2 0 350.438 0.537 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC2(CC[NH+](CCF)CC2)[C@H]2COC[C@H]21 ZINC001205516355 853618924 /nfs/dbraw/zinc/61/89/24/853618924.db2.gz AFOCNPZGLDUZOY-JKSUJKDBSA-N 2 0 357.470 0.474 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513114 853619001 /nfs/dbraw/zinc/61/90/01/853619001.db2.gz ANPLZNPXWXAWME-YESZJQIVSA-N 2 0 353.507 0.648 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205513168 853619413 /nfs/dbraw/zinc/61/94/13/853619413.db2.gz FHYKGXIVTGERFU-DLBZAZTESA-N 2 0 353.507 0.650 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205514020 853619487 /nfs/dbraw/zinc/61/94/87/853619487.db2.gz XPPNJCTWXZHHJE-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992772 853777875 /nfs/dbraw/zinc/77/78/75/853777875.db2.gz HDVVGLILTWEKHD-KLHDSHLOSA-N 2 0 353.511 0.471 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207280080 853796480 /nfs/dbraw/zinc/79/64/80/853796480.db2.gz MZBRGOPNIDNYFA-IBGZPJMESA-N 2 0 354.539 0.735 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CC(C)(C)N3CCOCC3)CC[C@@H]2C1 ZINC001207301845 853802360 /nfs/dbraw/zinc/80/23/60/853802360.db2.gz NQUJGDIOZFJGMB-QZTJIDSGSA-N 2 0 355.523 0.766 20 0 FCADRP CC(C)(CN1CCC([NH+]2CCC(C(N)=O)CC2)CC1)[NH+]1CCOCC1 ZINC001207304617 853802482 /nfs/dbraw/zinc/80/24/82/853802482.db2.gz CZAYZYPFZNBKRT-UHFFFAOYSA-N 2 0 352.523 0.759 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001207484073 853818187 /nfs/dbraw/zinc/81/81/87/853818187.db2.gz NNLDIDHDYSSKQA-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207483788 853818504 /nfs/dbraw/zinc/81/85/04/853818504.db2.gz YYEQPJSPBRYOSE-MJGOQNOKSA-N 2 0 353.507 0.772 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207553671 853823839 /nfs/dbraw/zinc/82/38/39/853823839.db2.gz KJBSIECGQFOAMB-KYJSFNMBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705985 853843437 /nfs/dbraw/zinc/84/34/37/853843437.db2.gz MKUYAUNIXDFUSZ-BRWVUGGUSA-N 2 0 353.507 0.818 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484986 853941094 /nfs/dbraw/zinc/94/10/94/853941094.db2.gz FEIQNBXXDUJHBM-GDBMZVCRSA-N 2 0 353.511 0.472 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591452 853957623 /nfs/dbraw/zinc/95/76/23/853957623.db2.gz XBHUQVZCCPZBGB-BFYDXBDKSA-N 2 0 354.495 0.060 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208610010 853959436 /nfs/dbraw/zinc/95/94/36/853959436.db2.gz OJNGSJSTSITHRH-XLAORIBOSA-N 2 0 351.491 0.524 20 0 FCADRP CC(=O)N1CCC[C@H](C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001208983579 853986455 /nfs/dbraw/zinc/98/64/55/853986455.db2.gz UEPVBBJWAOTUQY-MRXNPFEDSA-N 2 0 350.507 0.907 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040147 854072638 /nfs/dbraw/zinc/07/26/38/854072638.db2.gz BUNNHWVBGIADCO-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330084 854100409 /nfs/dbraw/zinc/10/04/09/854100409.db2.gz NYEIRXHZYYMDFK-IXDOHACOSA-N 2 0 351.491 0.714 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293512 854430406 /nfs/dbraw/zinc/43/04/06/854430406.db2.gz UIKVLIFGPHECSF-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC)[NH+](C)C ZINC001212455939 854486584 /nfs/dbraw/zinc/48/65/84/854486584.db2.gz ZVZPYOOMGGLYRB-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221560 854539018 /nfs/dbraw/zinc/53/90/18/854539018.db2.gz IJSQAQCPXSETOW-HZPDHXFCSA-N 2 0 357.495 0.075 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213369330 854590031 /nfs/dbraw/zinc/59/00/31/854590031.db2.gz OKVSWAFNHNLCRR-FGTMMUONSA-N 2 0 353.507 0.959 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213671582 854708190 /nfs/dbraw/zinc/70/81/90/854708190.db2.gz MXGFMAMQGUIUQQ-GVDBMIGSSA-N 2 0 359.511 0.177 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213675919 854711418 /nfs/dbraw/zinc/71/14/18/854711418.db2.gz GUCQNGRWWGXJAP-HUUCEWRRSA-N 2 0 353.467 0.468 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868322 854799970 /nfs/dbraw/zinc/79/99/70/854799970.db2.gz OBGQEQVBZAHKIR-IAGOWNOFSA-N 2 0 357.495 0.077 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214343966 854928116 /nfs/dbraw/zinc/92/81/16/854928116.db2.gz KVPSKBGETDXZTO-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214344032 854928478 /nfs/dbraw/zinc/92/84/78/854928478.db2.gz MORIUDMTXQTCQA-IJLUTSLNSA-N 2 0 352.464 0.007 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214643437 854986224 /nfs/dbraw/zinc/98/62/24/854986224.db2.gz QKJKTCLCVUFBDW-VNQPRFMTSA-N 2 0 350.507 0.679 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214755069 855002338 /nfs/dbraw/zinc/00/23/38/855002338.db2.gz QNMPFCJLEBSZBV-QLFBSQMISA-N 2 0 365.515 0.538 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855798 855022990 /nfs/dbraw/zinc/02/29/90/855022990.db2.gz OCHPPNBCXBJMQV-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214855804 855023768 /nfs/dbraw/zinc/02/37/68/855023768.db2.gz OEAFCADOVXYMFP-DJIMGWMZSA-N 2 0 371.547 0.875 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1)[NH+](C)C ZINC001214952708 855038667 /nfs/dbraw/zinc/03/86/67/855038667.db2.gz IVCWULWKOBJBJP-MGPQQGTHSA-N 2 0 367.519 0.883 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1)[NH+](C)C ZINC001214952923 855038698 /nfs/dbraw/zinc/03/86/98/855038698.db2.gz SAQCNLAFSJTZEF-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1)[NH+](C)C ZINC001214952936 855039090 /nfs/dbraw/zinc/03/90/90/855039090.db2.gz SVHVCGQLVOKWFR-JHJVBQTASA-N 2 0 353.492 0.858 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214969523 855041568 /nfs/dbraw/zinc/04/15/68/855041568.db2.gz UZVNAWDLKJDNOD-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214999265 855049685 /nfs/dbraw/zinc/04/96/85/855049685.db2.gz CJNIPAMQUMCIQT-CHWSQXEVSA-N 2 0 351.451 0.780 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215036023 855055724 /nfs/dbraw/zinc/05/57/24/855055724.db2.gz LWRWAIXPYLMNBL-OAGGEKHMSA-N 2 0 359.536 0.588 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058384 855060304 /nfs/dbraw/zinc/06/03/04/855060304.db2.gz MXXGXTYMXLXBDA-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001215234461 855086980 /nfs/dbraw/zinc/08/69/80/855086980.db2.gz WMOQYEPYTBJAOO-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCc1ccco1 ZINC001215458851 855117367 /nfs/dbraw/zinc/11/73/67/855117367.db2.gz NETSAEQNVSAAOF-IIAWOOMASA-N 2 0 350.463 0.673 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536549 855125953 /nfs/dbraw/zinc/12/59/53/855125953.db2.gz RZBJAPQAIZMMBC-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215539912 855126671 /nfs/dbraw/zinc/12/66/71/855126671.db2.gz CIAPXGOSOFUHRL-ZMSDIMECSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215558258 855128270 /nfs/dbraw/zinc/12/82/70/855128270.db2.gz PAZDQWLFEBCVLO-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCOCC(F)F ZINC001216095726 855169653 /nfs/dbraw/zinc/16/96/53/855169653.db2.gz VVGXKGWYQICPHO-UKRRQHHQSA-N 2 0 363.449 0.815 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216221512 855180337 /nfs/dbraw/zinc/18/03/37/855180337.db2.gz GVGJGMRLKNSVSE-VXGBXAGGSA-N 2 0 354.480 0.255 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216405161 855199319 /nfs/dbraw/zinc/19/93/19/855199319.db2.gz GXNQBKBTQJOXQL-VXGBXAGGSA-N 2 0 364.475 0.009 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409957 855199986 /nfs/dbraw/zinc/19/99/86/855199986.db2.gz OROUYIHBUXUCIJ-HZPDHXFCSA-N 2 0 371.547 0.732 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409747 855199999 /nfs/dbraw/zinc/19/99/99/855199999.db2.gz MQDPGOGBOCUFSX-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216511425 855209252 /nfs/dbraw/zinc/20/92/52/855209252.db2.gz RTBPGHRXUZWYNB-UKRRQHHQSA-N 2 0 371.503 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001216754246 855232367 /nfs/dbraw/zinc/23/23/67/855232367.db2.gz MMITXUMEGCPLPK-FRRDWIJNSA-N 2 0 364.412 0.443 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216852073 855258991 /nfs/dbraw/zinc/25/89/91/855258991.db2.gz NUIRJORZPGRTEH-GDBMZVCRSA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216852398 855260226 /nfs/dbraw/zinc/26/02/26/855260226.db2.gz XXCOVKJHNWPODY-MGPQQGTHSA-N 2 0 369.428 0.703 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H](C)C1CC[NH2+]CC1 ZINC001218002859 855389187 /nfs/dbraw/zinc/38/91/87/855389187.db2.gz MJKQQHYJSDLYKE-JTQLQIEISA-N 2 0 352.435 0.528 20 0 FCADRP CC[NH+](CC)C[C@H](C)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218192503 855406299 /nfs/dbraw/zinc/40/62/99/855406299.db2.gz IXHFDSFHBHHNBR-NSHDSACASA-N 2 0 354.451 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H](Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c2=O)C1 ZINC001218346997 855416470 /nfs/dbraw/zinc/41/64/70/855416470.db2.gz FVTDMDNJNROLIM-NSHDSACASA-N 2 0 352.435 0.624 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Br)ccc1O ZINC001218513215 855432208 /nfs/dbraw/zinc/43/22/08/855432208.db2.gz FBQUOXTXHBWIRH-SECBINFHSA-N 2 0 358.240 0.239 20 0 FCADRP COC(=O)c1nc(Br)cnc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218523129 855434168 /nfs/dbraw/zinc/43/41/68/855434168.db2.gz CLUBWHNCJOXRLY-VIFPVBQESA-N 2 0 372.223 0.291 20 0 FCADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218597390 855446351 /nfs/dbraw/zinc/44/63/51/855446351.db2.gz UAYRWXMOZBWZIB-NSHDSACASA-N 2 0 354.407 0.586 20 0 FCADRP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001218735563 855472198 /nfs/dbraw/zinc/47/21/98/855472198.db2.gz QDVSCDNJIWSJLL-HNNXBMFYSA-N 2 0 350.467 0.455 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1 ZINC001218744685 855473102 /nfs/dbraw/zinc/47/31/02/855473102.db2.gz LXKAJCKXYIVQNR-ZDUSSCGKSA-N 2 0 364.475 0.581 20 0 FCADRP NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218769340 855477481 /nfs/dbraw/zinc/47/74/81/855477481.db2.gz ILSVUHUDLTWWQY-NSHDSACASA-N 2 0 362.459 0.560 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC001218880414 855490152 /nfs/dbraw/zinc/49/01/52/855490152.db2.gz XCEBOQULFWBHIB-ZDUSSCGKSA-N 2 0 352.385 0.915 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092358 855544323 /nfs/dbraw/zinc/54/43/23/855544323.db2.gz GMAZQSWTZCJHCC-HNNXBMFYSA-N 2 0 357.476 0.498 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(NC(C)=O)cc1OC ZINC001219225720 855591693 /nfs/dbraw/zinc/59/16/93/855591693.db2.gz JAWFBXQESCSWJU-NSHDSACASA-N 2 0 352.391 0.445 20 0 FCADRP COCCOc1c(F)cccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219307468 855625150 /nfs/dbraw/zinc/62/51/50/855625150.db2.gz YGFRBGMRUXKFEX-AWEZNQCLSA-N 2 0 354.426 0.540 20 0 FCADRP COC(=O)c1ccc(N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2CC2)c(N)c1 ZINC001219312272 855626670 /nfs/dbraw/zinc/62/66/70/855626670.db2.gz AFKSQXRBYWORMX-ZDUSSCGKSA-N 2 0 352.460 0.570 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ccc(Br)c2c1C(=O)NC2)C1CC[NH2+]CC1 ZINC001219446898 855674006 /nfs/dbraw/zinc/67/40/06/855674006.db2.gz ZNZVJHONBWUVFK-ZDUSSCGKSA-N 2 0 367.247 0.958 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219615912 855734737 /nfs/dbraw/zinc/73/47/37/855734737.db2.gz INAKZKNLXMFDDP-MAUKXSAKSA-N 2 0 350.438 0.173 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219615959 855734977 /nfs/dbraw/zinc/73/49/77/855734977.db2.gz KGAFXYZIVUTYMS-MAUKXSAKSA-N 2 0 350.438 0.173 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001219621512 855739126 /nfs/dbraw/zinc/73/91/26/855739126.db2.gz AGJXFYCGSYSWKI-FUHWJXTLSA-N 2 0 350.438 0.512 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219621559 855739615 /nfs/dbraw/zinc/73/96/15/855739615.db2.gz CGDCLITWKTXLNW-YQQAZPJKSA-N 2 0 371.478 0.434 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219743737 855794951 /nfs/dbraw/zinc/79/49/51/855794951.db2.gz KVYQVFVOHBAXDH-IKGGRYGDSA-N 2 0 350.507 0.620 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796808 855817623 /nfs/dbraw/zinc/81/76/23/855817623.db2.gz RBRSMRULEDBOJV-KSZLIROESA-N 2 0 355.523 0.942 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801163 855820324 /nfs/dbraw/zinc/82/03/24/855820324.db2.gz USRDVJOZVHZHNG-IKGGRYGDSA-N 2 0 353.507 0.920 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001219803351 855820683 /nfs/dbraw/zinc/82/06/83/855820683.db2.gz RDTMBPNAGWLQQK-LBPRGKRZSA-N 2 0 351.476 0.051 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CCC1 ZINC001219802627 855820835 /nfs/dbraw/zinc/82/08/35/855820835.db2.gz XSTLVOSTYXPGDS-IKGGRYGDSA-N 2 0 353.507 0.573 20 0 FCADRP [NH3+][C@H](Cc1ccccc1F)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834323 855837180 /nfs/dbraw/zinc/83/71/80/855837180.db2.gz PLPWOXCCTOXLRU-XCRHUMRWSA-N 2 0 351.422 0.207 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219833721 855837407 /nfs/dbraw/zinc/83/74/07/855837407.db2.gz HYCIMUOXRZVZBK-GPMSIDNRSA-N 2 0 351.491 0.668 20 0 FCADRP CS(=O)(=O)N(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)c1ccc(C[NH3+])cc1 ZINC001219938940 855888424 /nfs/dbraw/zinc/88/84/24/855888424.db2.gz KPBKUBXNJFQZSE-AEGPPILISA-N 2 0 353.444 0.205 20 0 FCADRP COC(=O)C1(NC(=O)C[C@@H]([NH3+])CSc2ccccc2)CC[NH2+]CC1 ZINC001220001258 855912757 /nfs/dbraw/zinc/91/27/57/855912757.db2.gz NTQCJNYOXKNEGP-CYBMUJFWSA-N 2 0 351.472 0.908 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039375 855929761 /nfs/dbraw/zinc/92/97/61/855929761.db2.gz BQBLWKSQIXXHEJ-FVRSWCFKSA-N 3 0 354.495 0.411 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220064277 855941560 /nfs/dbraw/zinc/94/15/60/855941560.db2.gz YLSLOFCSDYXGNV-GJZGRUSLSA-N 2 0 356.511 0.626 20 0 FCADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001220318940 856064182 /nfs/dbraw/zinc/06/41/82/856064182.db2.gz BZZJTZCLHAQWII-WBMJQRKESA-N 2 0 351.476 0.194 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369349 856088744 /nfs/dbraw/zinc/08/87/44/856088744.db2.gz HJCYAEMPEUUOBM-IXDOHACOSA-N 2 0 355.523 0.941 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001220379626 856096247 /nfs/dbraw/zinc/09/62/47/856096247.db2.gz BPMNUBOWQVQMFC-AGIUHOORSA-N 2 0 355.401 0.457 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387323 856100698 /nfs/dbraw/zinc/10/06/98/856100698.db2.gz HLKJYUVVHFYHTQ-ZACQAIPSSA-N 2 0 359.486 0.788 20 0 FCADRP CC(C)([NH3+])CN(C(=O)CNC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535384 856171161 /nfs/dbraw/zinc/17/11/61/856171161.db2.gz ACWGKPULZXOKOJ-UHFFFAOYSA-N 2 0 368.503 0.283 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220565669 856187514 /nfs/dbraw/zinc/18/75/14/856187514.db2.gz OUBKVYHFOJVNIB-JKSUJKDBSA-N 2 0 350.463 0.731 20 0 FCADRP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220569913 856189782 /nfs/dbraw/zinc/18/97/82/856189782.db2.gz UOTOHVSUUPBURE-KRWDZBQOSA-N 2 0 355.479 0.902 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C(C)C ZINC001220575521 856190587 /nfs/dbraw/zinc/19/05/87/856190587.db2.gz VSBSUPPCXUMIHJ-SQNIBIBYSA-N 2 0 355.523 0.941 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607985 856204645 /nfs/dbraw/zinc/20/46/45/856204645.db2.gz RDHOFFGTSPTXMZ-NWDGAFQWSA-N 2 0 357.252 0.548 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220610204 856205572 /nfs/dbraw/zinc/20/55/72/856205572.db2.gz LBRAUXBJVUZCPS-RYUDHWBXSA-N 3 0 361.309 0.584 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001220610376 856206003 /nfs/dbraw/zinc/20/60/03/856206003.db2.gz MVRSOQWPBAUYMT-ZIAGYGMSSA-N 3 0 355.280 0.892 20 0 FCADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637610 856215027 /nfs/dbraw/zinc/21/50/27/856215027.db2.gz IZKUAMOGANGRAI-SJORKVTESA-N 2 0 357.495 0.075 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728508 856266301 /nfs/dbraw/zinc/26/63/01/856266301.db2.gz OFRAYZYODCPJPV-QGTPRVQTSA-N 2 0 353.507 0.431 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870091 856349178 /nfs/dbraw/zinc/34/91/78/856349178.db2.gz GNWIAZCDVPFBAK-LBPRGKRZSA-N 3 0 358.284 0.597 20 0 FCADRP COc1ccc(F)c(CN2CCC(NC(=O)C[NH2+]CCC[NH3+])CC2)c1 ZINC001220911135 856370203 /nfs/dbraw/zinc/37/02/03/856370203.db2.gz HSKLRGJMFUDHHT-UHFFFAOYSA-N 2 0 352.454 0.853 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220936559 856385185 /nfs/dbraw/zinc/38/51/85/856385185.db2.gz HEZPDZGKACNZDM-HOTGVXAUSA-N 2 0 353.488 0.750 20 0 FCADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220974433 856403699 /nfs/dbraw/zinc/40/36/99/856403699.db2.gz BHIMXYDCINQKAD-INIZCTEOSA-N 2 0 351.422 0.745 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001220985774 856407572 /nfs/dbraw/zinc/40/75/72/856407572.db2.gz FQZGOABECRKLNV-CFVMTHIKSA-N 2 0 361.433 0.161 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220994391 856413302 /nfs/dbraw/zinc/41/33/02/856413302.db2.gz OQEJINYEGIIGTF-KSZLIROESA-N 2 0 353.507 0.983 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073217 856448969 /nfs/dbraw/zinc/44/89/69/856448969.db2.gz LHTCZAFZNASGEM-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]C1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148816 856484987 /nfs/dbraw/zinc/48/49/87/856484987.db2.gz PWLHRGGNTCPNBV-CQSZACIVSA-N 2 0 366.487 0.322 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001221188370 856506865 /nfs/dbraw/zinc/50/68/65/856506865.db2.gz UETSSPQHBVOWKJ-GJZGRUSLSA-N 2 0 350.463 0.279 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCOc2c(F)cc(F)cc21 ZINC001221260088 856532579 /nfs/dbraw/zinc/53/25/79/856532579.db2.gz GVVYJSIPFNKJHA-CABCVRRESA-N 2 0 354.401 0.655 20 0 FCADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCCCC[NH3+] ZINC001221349526 856553282 /nfs/dbraw/zinc/55/32/82/856553282.db2.gz YWAUYJVUSHJQHL-HOTGVXAUSA-N 2 0 366.531 0.649 20 0 FCADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@@H]1CC[NH2+]1 ZINC001221384277 856558013 /nfs/dbraw/zinc/55/80/13/856558013.db2.gz YDCTVRBWZCECSW-ZDUSSCGKSA-N 2 0 370.475 0.832 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(Cl)cc1 ZINC001221414110 856559922 /nfs/dbraw/zinc/55/99/22/856559922.db2.gz SJEOTCNUSWVKEW-PMPSAXMXSA-N 2 0 355.866 0.798 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@H]1C[NH2+]CCN1)c1ccc(Cl)cc1 ZINC001221411973 856560222 /nfs/dbraw/zinc/56/02/22/856560222.db2.gz HQIVGWLSFUCOPW-HZPDHXFCSA-N 2 0 354.882 0.637 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414043 856560428 /nfs/dbraw/zinc/56/04/28/856560428.db2.gz SBEPWRSOWKPRJX-RDJZCZTQSA-N 2 0 354.882 0.766 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221615616 856625137 /nfs/dbraw/zinc/62/51/37/856625137.db2.gz QGEJFSITADRGJW-FGTMMUONSA-N 2 0 353.507 0.506 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001221642776 856635732 /nfs/dbraw/zinc/63/57/32/856635732.db2.gz GRRMUGYWKWKUFI-BRWVUGGUSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)CCCC1 ZINC001221714274 856661952 /nfs/dbraw/zinc/66/19/52/856661952.db2.gz WJNWDLWDTWEGRA-IAGOWNOFSA-N 2 0 353.507 0.793 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221773994 856678795 /nfs/dbraw/zinc/67/87/95/856678795.db2.gz NHZSRLDGTXBWDY-HUUCEWRRSA-N 2 0 350.463 0.010 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221921598 856734644 /nfs/dbraw/zinc/73/46/44/856734644.db2.gz AXGQHUARPUDLLT-KZNAEPCWSA-N 2 0 355.523 0.894 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCc3ccns3)C[C@H]21 ZINC001221950589 856746108 /nfs/dbraw/zinc/74/61/08/856746108.db2.gz OUFYDNSYYSSCOW-GDBMZVCRSA-N 2 0 352.504 0.797 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222052958 856787872 /nfs/dbraw/zinc/78/78/72/856787872.db2.gz BVNLAIRVNXQTFV-IAGOWNOFSA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)CC[N@@H+]1C ZINC001222716336 856867062 /nfs/dbraw/zinc/86/70/62/856867062.db2.gz XGVBWUMSBAOCDL-XDNAFOTISA-N 2 0 353.507 0.648 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707462 856867686 /nfs/dbraw/zinc/86/76/86/856867686.db2.gz IFJFGYAIZKMLJA-VQHPVUNQSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223378116 856911533 /nfs/dbraw/zinc/91/15/33/856911533.db2.gz DXDFKEAQNKJJPV-WBVHZDCISA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)CS(C)(=O)=O ZINC001223425093 856915458 /nfs/dbraw/zinc/91/54/58/856915458.db2.gz LPRYVVZAVGGGMS-XHSDSOJGSA-N 2 0 359.536 0.542 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)[C@H]2C1 ZINC001223430706 856917141 /nfs/dbraw/zinc/91/71/41/856917141.db2.gz PSAOLIDEZZLVAL-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223431320 856917318 /nfs/dbraw/zinc/91/73/18/856917318.db2.gz XQOLSXLHKKHTCG-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223697805 856938162 /nfs/dbraw/zinc/93/81/62/856938162.db2.gz LWWJLBWTZXEJQF-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)on1 ZINC001223916768 856951006 /nfs/dbraw/zinc/95/10/06/856951006.db2.gz PYEZWVPAMUMDTP-WBVHZDCISA-N 2 0 350.463 0.984 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222756 856970924 /nfs/dbraw/zinc/97/09/24/856970924.db2.gz YWOKRMRDGAUTPU-SQNIBIBYSA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346069 857036239 /nfs/dbraw/zinc/03/62/39/857036239.db2.gz IJOVQMKLNBLVRF-OAGGEKHMSA-N 2 0 353.511 0.805 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001226323855 857097493 /nfs/dbraw/zinc/09/74/93/857097493.db2.gz USVHMHXAQOKWPB-MWQQHZPXSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001226800537 857126627 /nfs/dbraw/zinc/12/66/27/857126627.db2.gz LQOFWNWZYWNUHE-ZACQAIPSSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444849 857160539 /nfs/dbraw/zinc/16/05/39/857160539.db2.gz UMXIEELKHHSODG-BPQIPLTHSA-N 2 0 355.523 0.941 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)on1 ZINC001228365321 857206781 /nfs/dbraw/zinc/20/67/81/857206781.db2.gz BLEYQYWTZITSTO-ZIAGYGMSSA-N 2 0 351.451 0.890 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229523144 857273274 /nfs/dbraw/zinc/27/32/74/857273274.db2.gz CBSRONUZIXMZKA-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615210 857278268 /nfs/dbraw/zinc/27/82/68/857278268.db2.gz FGSCEZRWEZSMOO-IAGOWNOFSA-N 2 0 350.507 0.871 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229869080 857290065 /nfs/dbraw/zinc/29/00/65/857290065.db2.gz WUTXHMMIVNTMPE-BRWVUGGUSA-N 2 0 359.511 0.369 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229877166 857291597 /nfs/dbraw/zinc/29/15/97/857291597.db2.gz MJWOCWDNCDUINN-GVDBMIGSSA-N 2 0 351.495 0.603 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001229956530 857294662 /nfs/dbraw/zinc/29/46/62/857294662.db2.gz LSRKUWOTPKCFCG-MDZRGWNJSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001230138157 857306599 /nfs/dbraw/zinc/30/65/99/857306599.db2.gz IFVMFRXHZPVGLP-JHJVBQTASA-N 2 0 364.412 0.634 20 0 FCADRP Cc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Br)c1 ZINC001235871001 857433602 /nfs/dbraw/zinc/43/36/02/857433602.db2.gz OLYMGPWUUAJVFE-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1OC(C)=O ZINC001235871124 857433743 /nfs/dbraw/zinc/43/37/43/857433743.db2.gz PINVUQZYMHLKLI-UHFFFAOYSA-N 2 0 350.463 0.205 20 0 FCADRP Cc1cc(Br)ncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871300 857433838 /nfs/dbraw/zinc/43/38/38/857433838.db2.gz UGCODKZMKHENIK-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cnc1Br ZINC001235876570 857434765 /nfs/dbraw/zinc/43/47/65/857434765.db2.gz ZBRSMHSLACJWIR-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]nc1-c1cccs1 ZINC001236308042 857437677 /nfs/dbraw/zinc/43/76/77/857437677.db2.gz FQUXZAMSSJCHSN-UHFFFAOYSA-N 2 0 350.492 0.754 20 0 FCADRP Cn1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(C(F)(F)F)n1 ZINC001236310808 857438910 /nfs/dbraw/zinc/43/89/10/857438910.db2.gz AHIKTSFFFXAMPJ-UHFFFAOYSA-N 2 0 350.389 0.055 20 0 FCADRP CC(C)Oc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cnc1F ZINC001236311961 857439666 /nfs/dbraw/zinc/43/96/66/857439666.db2.gz OJLAEWSFXBUBMI-UHFFFAOYSA-N 2 0 355.458 0.624 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)c1OC ZINC001236317955 857440940 /nfs/dbraw/zinc/44/09/40/857440940.db2.gz YTAVVTNYMQJJFA-UHFFFAOYSA-N 2 0 356.442 0.459 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238226074 857463852 /nfs/dbraw/zinc/46/38/52/857463852.db2.gz DXGBJRHCIWVEFY-OAHLLOKOSA-N 2 0 366.487 0.798 20 0 FCADRP COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(OC)c1 ZINC001238238904 857464027 /nfs/dbraw/zinc/46/40/27/857464027.db2.gz ABCQPBZUMZJFRX-ZDUSSCGKSA-N 2 0 369.487 0.856 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2nccnc2c1 ZINC001238241153 857464758 /nfs/dbraw/zinc/46/47/58/857464758.db2.gz JGMWSBQGORFJNX-ZDUSSCGKSA-N 2 0 361.471 0.782 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc2nccnc21 ZINC001238241709 857464939 /nfs/dbraw/zinc/46/49/39/857464939.db2.gz KVSCDGBLTPSHPA-CYBMUJFWSA-N 2 0 361.471 0.782 20 0 FCADRP COC(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239719 857465466 /nfs/dbraw/zinc/46/54/66/857465466.db2.gz FWDGITRBKIYWBZ-ZDUSSCGKSA-N 2 0 367.471 0.626 20 0 FCADRP CCOC(=O)C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238510918 857473288 /nfs/dbraw/zinc/47/32/88/857473288.db2.gz DDKPLZOULOCANM-HNNXBMFYSA-N 2 0 361.508 0.227 20 0 FCADRP CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238880038 857485527 /nfs/dbraw/zinc/48/55/27/857485527.db2.gz ZXMBFOIXSCTUDI-UHFFFAOYSA-N 2 0 373.475 0.479 20 0 FCADRP CCOC(=O)[C@@H]1CC2(CN1S(=O)(=O)C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001238997915 857498369 /nfs/dbraw/zinc/49/83/69/857498369.db2.gz CWVXDERVHOSOKH-AWEZNQCLSA-N 2 0 359.492 0.075 20 0 FCADRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239076509 857506212 /nfs/dbraw/zinc/50/62/12/857506212.db2.gz DGLSUPLJHBEEKF-AWEZNQCLSA-N 2 0 357.476 0.623 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1cc(Br)cnc1Cl ZINC001239096309 857512825 /nfs/dbraw/zinc/51/28/25/857512825.db2.gz GXHQRGMLBBDFFX-UHFFFAOYSA-N 2 0 357.661 0.406 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001239096133 857512837 /nfs/dbraw/zinc/51/28/37/857512837.db2.gz CKVFJLWUELISHA-UHFFFAOYSA-N 2 0 358.208 0.635 20 0 FCADRP [NH3+]CCNC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239360196 857526454 /nfs/dbraw/zinc/52/64/54/857526454.db2.gz DRGVSJATPXJXGH-QGZVFWFLSA-N 3 0 361.559 0.911 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001245984901 857562652 /nfs/dbraw/zinc/56/26/52/857562652.db2.gz KDWTYIOYOUPVKE-KOHRHEQBSA-N 2 0 353.507 0.935 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245981393 857563042 /nfs/dbraw/zinc/56/30/42/857563042.db2.gz GRJQHVDLLWFVEU-SOGIYBJLSA-N 3 0 355.429 0.410 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245981041 857563127 /nfs/dbraw/zinc/56/31/27/857563127.db2.gz DTZHPVLAGJOQGT-RCCFBDPRSA-N 2 0 351.491 0.638 20 0 FCADRP [NH3+]C[C@@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001246000914 857563291 /nfs/dbraw/zinc/56/32/91/857563291.db2.gz MNYOOLXGNOEZGB-LSDHHAIUSA-N 2 0 372.307 0.904 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245999200 857563297 /nfs/dbraw/zinc/56/32/97/857563297.db2.gz ZKMREHXRBWEOBD-XDNAFOTISA-N 3 0 355.429 0.696 20 0 FCADRP [NH3+]CCCC[C@H]([NH2+]C[C@H](O)COCc1ccco1)C(=O)N1CCCC1 ZINC001246018939 857564478 /nfs/dbraw/zinc/56/44/78/857564478.db2.gz HOVOMHJOARJOLH-RDJZCZTQSA-N 2 0 353.463 0.867 20 0 FCADRP CCCOC[C@@H](O)C[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001246063460 857567243 /nfs/dbraw/zinc/56/72/43/857567243.db2.gz OJXYVHDCOJPVNF-IBGZPJMESA-N 2 0 357.539 0.798 20 0 FCADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246051403 857567369 /nfs/dbraw/zinc/56/73/69/857567369.db2.gz GGLPCBDWTVBIJY-VCOSZWKGSA-N 2 0 357.401 0.018 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246138523 857568773 /nfs/dbraw/zinc/56/87/73/857568773.db2.gz JJVSPFAMVDNIPN-OAGGEKHMSA-N 2 0 368.547 0.388 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246138525 857568942 /nfs/dbraw/zinc/56/89/42/857568942.db2.gz JJVSPFAMVDNIPN-PMPSAXMXSA-N 2 0 368.547 0.388 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CN1)N1CCSC1 ZINC001246185677 857570346 /nfs/dbraw/zinc/57/03/46/857570346.db2.gz VIUDSJJQHVSRCH-PMPSAXMXSA-N 2 0 368.547 0.388 20 0 FCADRP COCCC1(C[NH2+][C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246367791 857576176 /nfs/dbraw/zinc/57/61/76/857576176.db2.gz CMQGOMXSTHEDPX-GJZGRUSLSA-N 2 0 356.536 0.246 20 0 FCADRP O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246434574 857579647 /nfs/dbraw/zinc/57/96/47/857579647.db2.gz MZUDCQYUBGCEDA-OAHLLOKOSA-N 2 0 350.488 0.410 20 0 FCADRP NC1=CC=C(C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)[NH2+]C1 ZINC001246493505 857581272 /nfs/dbraw/zinc/58/12/72/857581272.db2.gz HAFPCJULDVMLKM-RDJZCZTQSA-N 2 0 363.531 0.292 20 0 FCADRP O=C([C@@H]1C[C@@H](N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[NH2+]1)N1CCSC1 ZINC001246657964 857588415 /nfs/dbraw/zinc/58/84/15/857588415.db2.gz RTYRHXVGIMKGCA-OPDFLTKYSA-N 2 0 364.437 0.334 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700536 857591550 /nfs/dbraw/zinc/59/15/50/857591550.db2.gz GYBYYHGOGWDTHS-ATIFRJIPSA-N 2 0 351.491 0.998 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726418 857593981 /nfs/dbraw/zinc/59/39/81/857593981.db2.gz CUXBVYFVMRKFPT-SJORKVTESA-N 3 0 351.539 0.297 20 0 FCADRP CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750408 857596883 /nfs/dbraw/zinc/59/68/83/857596883.db2.gz XTFHNYHQLMTTDA-RDJZCZTQSA-N 2 0 356.536 0.361 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745371 857596980 /nfs/dbraw/zinc/59/69/80/857596980.db2.gz HGTQCYZLJOYIEI-NTDBWNAOSA-N 2 0 351.491 0.999 20 0 FCADRP C[C@@H]1C[C@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751425 857598750 /nfs/dbraw/zinc/59/87/50/857598750.db2.gz PIGFBOIPNIBTBK-IAGOWNOFSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772656 857599779 /nfs/dbraw/zinc/59/97/79/857599779.db2.gz FCPUWODDALMWDC-YWTNHNAXSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772654 857600050 /nfs/dbraw/zinc/60/00/50/857600050.db2.gz FCPUWODDALMWDC-VXIBKDFQSA-N 2 0 351.491 0.857 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N(CC[NH+](C)C)[C@@H]3CCC[NH2+]C3)C[C@H](C1)[NH2+]2 ZINC001246985556 857609158 /nfs/dbraw/zinc/60/91/58/857609158.db2.gz KYQXLPAOURWCCT-ONWVLEABSA-N 3 0 352.523 0.674 20 0 FCADRP COc1cc(Br)cnc1-c1noc(C23C[NH2+]CC2C[NH2+]C3)n1 ZINC001247850043 857617963 /nfs/dbraw/zinc/61/79/63/857617963.db2.gz HBQTUQOOUHBNTG-UHFFFAOYSA-N 2 0 366.219 0.963 20 0 FCADRP CC(=O)N1CCN(c2cc[nH+]cc2NC(=S)NCC[NH+](C)C)CC1 ZINC001249829956 857649183 /nfs/dbraw/zinc/64/91/83/857649183.db2.gz LYWLTIRXHYYJAZ-UHFFFAOYSA-N 2 0 350.492 0.598 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001249833560 857650437 /nfs/dbraw/zinc/65/04/37/857650437.db2.gz UOKXDDQETCWZFO-ILXRZTDVSA-N 2 0 351.524 0.109 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CCN(C(=S)NCC[NH+](C)C)CC2)CC1 ZINC001249833774 857650693 /nfs/dbraw/zinc/65/06/93/857650693.db2.gz YWLNAZBOMJAWIS-UHFFFAOYSA-N 2 0 369.579 0.687 20 0 FCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252024374 857776182 /nfs/dbraw/zinc/77/61/82/857776182.db2.gz NACFRHIXAYXIIN-RCCFBDPRSA-N 2 0 353.507 0.791 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001253185345 857870290 /nfs/dbraw/zinc/87/02/90/857870290.db2.gz FQNWCYXVVKBAHT-OWSLCNJRSA-N 2 0 350.511 0.375 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001253192400 857871780 /nfs/dbraw/zinc/87/17/80/857871780.db2.gz PRVOGKIIZKUWKA-MRXNPFEDSA-N 2 0 361.552 0.827 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001253215341 857872961 /nfs/dbraw/zinc/87/29/61/857872961.db2.gz WKXPXNGWGHMRCZ-OWCLPIDISA-N 2 0 359.511 0.897 20 0 FCADRP COC(=O)[C@H]1C[C@H](NC(=[NH2+])NCCCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001256253985 858061013 /nfs/dbraw/zinc/06/10/13/858061013.db2.gz INJCSKZVHQYODY-NWDGAFQWSA-N 2 0 357.455 0.390 20 0 FCADRP COC1(CC(=O)N2CCO[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@@H]32)CCC1 ZINC001279615470 862980900 /nfs/dbraw/zinc/98/09/00/862980900.db2.gz LELAIOBUQNEHCP-IRXDYDNUSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326070 858068114 /nfs/dbraw/zinc/06/81/14/858068114.db2.gz IMHZPKIFLICWRN-UONOGXRCSA-N 2 0 358.483 0.803 20 0 FCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C1CCCCC1 ZINC001257451821 858146300 /nfs/dbraw/zinc/14/63/00/858146300.db2.gz WLMBIDAHTKUDHQ-UHFFFAOYSA-N 2 0 362.511 0.950 20 0 FCADRP COCCC1([NH3+])CC[NH+]([C@H]2CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001257725557 858157353 /nfs/dbraw/zinc/15/73/53/858157353.db2.gz CUAMWQFXGZCYNC-RRFJBIMHSA-N 2 0 356.463 0.947 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H](N2CC[NH+](CCCC[NH3+])CC2)C[C@H]1C(=O)OC ZINC001257731977 858158042 /nfs/dbraw/zinc/15/80/42/858158042.db2.gz FPCZCLLHYBQQPU-BZUAXINKSA-N 2 0 355.479 0.474 20 0 FCADRP CCC[NH+]1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001258774079 858210531 /nfs/dbraw/zinc/21/05/31/858210531.db2.gz VDZSWKVDUWYYKI-UAGQMJEPSA-N 2 0 359.536 0.889 20 0 FCADRP COCC[NH+]1CC2(C1)SCC[C@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279721731 863024501 /nfs/dbraw/zinc/02/45/01/863024501.db2.gz WVOKBDBIJNIBFN-HNNXBMFYSA-N 2 0 367.519 0.837 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001261495658 858569021 /nfs/dbraw/zinc/56/90/21/858569021.db2.gz OSNYWGOJJQYAMK-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)CC1 ZINC001262026221 858760747 /nfs/dbraw/zinc/76/07/47/858760747.db2.gz LIQFBTLQBXGGKO-NVXWUHKLSA-N 2 0 350.467 0.446 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001262567660 859002368 /nfs/dbraw/zinc/00/23/68/859002368.db2.gz ZLGPGIKVVCINTJ-KRWDZBQOSA-N 2 0 352.475 0.662 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)O1)[NH+](C)C ZINC001262645260 859027082 /nfs/dbraw/zinc/02/70/82/859027082.db2.gz YMNCNCSOIIXLLH-FZKCQIBNSA-N 2 0 356.511 0.447 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)O1)[NH+](C)C ZINC001262645261 859027117 /nfs/dbraw/zinc/02/71/17/859027117.db2.gz YMNCNCSOIIXLLH-GEEKYZPCSA-N 2 0 356.511 0.447 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264650629 859415580 /nfs/dbraw/zinc/41/55/80/859415580.db2.gz YNBIMXZRMQIXCS-SJORKVTESA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H]3CCCN(C)C3=O)CCCC2)CC[N@@H+]1C ZINC001268035652 859522234 /nfs/dbraw/zinc/52/22/34/859522234.db2.gz CPAJYZMNQAGKBJ-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269992249 859624473 /nfs/dbraw/zinc/62/44/73/859624473.db2.gz DHUUUSSKBAXHAC-OAGGEKHMSA-N 2 0 353.511 0.940 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001270237210 859695012 /nfs/dbraw/zinc/69/50/12/859695012.db2.gz MSHJDUKBSZHQPE-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC001271062606 859891861 /nfs/dbraw/zinc/89/18/61/859891861.db2.gz YUGWQTCMGBJSII-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP CN1CCCC[C@@H]1C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001271140151 859904963 /nfs/dbraw/zinc/90/49/63/859904963.db2.gz OTBFLXBTMTZYQP-KBRIMQKVSA-N 2 0 358.433 0.133 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822601 860272421 /nfs/dbraw/zinc/27/24/21/860272421.db2.gz ZXPZISCNDAXOGL-APWZRJJASA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001272834658 860276084 /nfs/dbraw/zinc/27/60/84/860276084.db2.gz YZTWAHFIKAYSHR-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273386183 860474282 /nfs/dbraw/zinc/47/42/82/860474282.db2.gz YTQKKFIXXWLFBH-INIZCTEOSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@@H]21 ZINC001273557952 860529401 /nfs/dbraw/zinc/52/94/01/860529401.db2.gz CFSXVXZMCJAWFB-IRXDYDNUSA-N 2 0 350.507 0.478 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001273790043 860600699 /nfs/dbraw/zinc/60/06/99/860600699.db2.gz VOLJVOQIHJDXRA-MRXNPFEDSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)NC12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2 ZINC001273790346 860600781 /nfs/dbraw/zinc/60/07/81/860600781.db2.gz YMXCBUGTYBGDBO-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](C)C1)C2 ZINC001273834945 860613472 /nfs/dbraw/zinc/61/34/72/860613472.db2.gz JHEZSBDNBAWQDW-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001274370111 860737966 /nfs/dbraw/zinc/73/79/66/860737966.db2.gz MZCYJCUSIWQSQY-HDICACEKSA-N 2 0 350.507 0.478 20 0 FCADRP CN1CC[NH+](CCCC(=O)N2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001274516944 860767656 /nfs/dbraw/zinc/76/76/56/860767656.db2.gz YRJGZWXMTUEEKY-HDICACEKSA-N 2 0 351.539 0.251 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)CC2)C1 ZINC001274909559 860869518 /nfs/dbraw/zinc/86/95/18/860869518.db2.gz ZCRCYGKQFNEODL-IRXDYDNUSA-N 2 0 352.523 0.318 20 0 FCADRP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275324341 861032991 /nfs/dbraw/zinc/03/29/91/861032991.db2.gz GBGQLCDOKXBHME-SJORKVTESA-N 2 0 350.507 0.193 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001275343555 861038410 /nfs/dbraw/zinc/03/84/10/861038410.db2.gz PWVZUWDTPNHNKW-IBGZPJMESA-N 2 0 350.507 0.923 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555515 861125654 /nfs/dbraw/zinc/12/56/54/861125654.db2.gz CCWQCKHOWRFHDE-IBGZPJMESA-N 3 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556421 861127546 /nfs/dbraw/zinc/12/75/46/861127546.db2.gz KKPZKULVKIMSON-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP COCCOCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736550 861179937 /nfs/dbraw/zinc/17/99/37/861179937.db2.gz FTYHXOWCFRFVJU-SFHVURJKSA-N 2 0 353.463 0.448 20 0 FCADRP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737420 861180147 /nfs/dbraw/zinc/18/01/47/861180147.db2.gz KOGJGEQGAAMKIQ-BZUAXINKSA-N 2 0 353.463 0.239 20 0 FCADRP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738227 861182108 /nfs/dbraw/zinc/18/21/08/861182108.db2.gz WEZZFQDCWSYFCP-SFHVURJKSA-N 2 0 353.463 0.241 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738089 861182462 /nfs/dbraw/zinc/18/24/62/861182462.db2.gz ULLGJUKPHJQSBI-KSSFIOAISA-N 2 0 353.463 0.098 20 0 FCADRP COC(CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2)OC ZINC001275738290 861182476 /nfs/dbraw/zinc/18/24/76/861182476.db2.gz XVZRDPUHLMWDMD-GOSISDBHSA-N 2 0 355.479 0.156 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](C[C@@H]2CCOC2)C3)CC1 ZINC001279893624 863119925 /nfs/dbraw/zinc/11/99/25/863119925.db2.gz LYNXNLUJJWJRNK-RDJZCZTQSA-N 2 0 351.491 0.572 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279914646 863134265 /nfs/dbraw/zinc/13/42/65/863134265.db2.gz SISSACOHHVZBKN-JLVBRIDZSA-N 2 0 350.507 0.585 20 0 FCADRP CCOC(C)(C)C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280101065 863265174 /nfs/dbraw/zinc/26/51/74/863265174.db2.gz PUZWTEFWGMVBBU-LSDHHAIUSA-N 2 0 352.479 0.699 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280125681 863276697 /nfs/dbraw/zinc/27/66/97/863276697.db2.gz MZGBFIUIITYGAQ-KURKYZTESA-N 2 0 351.491 0.570 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)CC1 ZINC001280126643 863277856 /nfs/dbraw/zinc/27/78/56/863277856.db2.gz XMZGJHSEERCCIJ-QGZVFWFLSA-N 2 0 351.491 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)C[C@H](C)O1 ZINC001280137509 863287508 /nfs/dbraw/zinc/28/75/08/863287508.db2.gz JKYHQWWFKQYXBV-HLLBOEOZSA-N 2 0 351.491 0.855 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](CC2(C)COC2)C3)CC1 ZINC001280180783 863311760 /nfs/dbraw/zinc/31/17/60/863311760.db2.gz SSGWXUNZDYAGON-MRXNPFEDSA-N 2 0 351.491 0.572 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC[C@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183456 863313600 /nfs/dbraw/zinc/31/36/00/863313600.db2.gz CDIJNXSYGQOIEJ-KVSKMBFKSA-N 2 0 351.491 0.545 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](C[C@H]2CCCO2)C3)CC1 ZINC001280191051 863320488 /nfs/dbraw/zinc/32/04/88/863320488.db2.gz CELQMWOOTKQOPJ-IAGOWNOFSA-N 2 0 351.491 0.714 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]12 ZINC001280192615 863322059 /nfs/dbraw/zinc/32/20/59/863322059.db2.gz LUZZLVSUHHAJRY-HRCADAONSA-N 2 0 352.479 0.652 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C[C@@H]1C[C@@H]2CN(CC[NH+](C)C)C[C@@H]2O1 ZINC001280221401 863345302 /nfs/dbraw/zinc/34/53/02/863345302.db2.gz OTJKPJLPOAXSHR-SQNIBIBYSA-N 2 0 354.539 0.828 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280219377 863345662 /nfs/dbraw/zinc/34/56/62/863345662.db2.gz QNRWXDVMYNNFFE-FGTMMUONSA-N 2 0 350.507 0.334 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1OC ZINC001281847180 863816644 /nfs/dbraw/zinc/81/66/44/863816644.db2.gz BBPOGAFGEBDNGU-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001281986928 864021438 /nfs/dbraw/zinc/02/14/38/864021438.db2.gz SCECPONQMMMGHW-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001305210081 866572103 /nfs/dbraw/zinc/57/21/03/866572103.db2.gz RTQFPEAOLSKIIB-UHFFFAOYSA-N 2 0 353.507 0.530 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001313401202 867275815 /nfs/dbraw/zinc/27/58/15/867275815.db2.gz QSQYICNGFJARNO-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001353240944 867379925 /nfs/dbraw/zinc/37/99/25/867379925.db2.gz XTALVJAUKRTKHX-QLFBSQMISA-N 2 0 362.499 0.964 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001353240945 867380900 /nfs/dbraw/zinc/38/09/00/867380900.db2.gz XTALVJAUKRTKHX-ZNMIVQPWSA-N 2 0 362.499 0.964 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001353485638 867435454 /nfs/dbraw/zinc/43/54/54/867435454.db2.gz AGVREVPDVYPCML-QGZVFWFLSA-N 2 0 355.504 0.351 20 0 FCADRP CC(C)C[C@H](NC[C@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001357209254 868087828 /nfs/dbraw/zinc/08/78/28/868087828.db2.gz FWNGDRRUMJVNPK-SQNIBIBYSA-N 2 0 354.539 0.610 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001357896527 868160493 /nfs/dbraw/zinc/16/04/93/868160493.db2.gz DMQGODJTMVQNNK-INIZCTEOSA-N 2 0 359.536 0.732 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001325346093 869858911 /nfs/dbraw/zinc/85/89/11/869858911.db2.gz LNJSGQUMRKVBSW-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325706771 869994697 /nfs/dbraw/zinc/99/46/97/869994697.db2.gz YBOJLXHLKIZHGA-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC001325830569 870051454 /nfs/dbraw/zinc/05/14/54/870051454.db2.gz XUQXZPFHEBJUDB-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC001325963739 870116052 /nfs/dbraw/zinc/11/60/52/870116052.db2.gz DXFNBSRTPMMZFT-HNNXBMFYSA-N 2 0 356.511 0.260 20 0 FCADRP NC(=O)C1CCN(C(=O)C2CC[NH+](CCC3CC[NH2+]CC3)CC2)CC1 ZINC001326310573 870251765 /nfs/dbraw/zinc/25/17/65/870251765.db2.gz ZLZDJDPEGLZCDP-UHFFFAOYSA-N 2 0 350.507 0.812 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327091257 870664321 /nfs/dbraw/zinc/66/43/21/870664321.db2.gz ZITNSDZBPZRUAV-UHFFFAOYSA-N 2 0 366.487 0.738 20 0 FCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001327122145 870679483 /nfs/dbraw/zinc/67/94/83/870679483.db2.gz VQARVLBDXPTVAN-AWEZNQCLSA-N 2 0 357.520 0.390 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001327126077 870679552 /nfs/dbraw/zinc/67/95/52/870679552.db2.gz VBCDOBBQAAOPMY-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001344727525 870996649 /nfs/dbraw/zinc/99/66/49/870996649.db2.gz HOUPEMMUXXZCGA-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001345964226 871579379 /nfs/dbraw/zinc/57/93/79/871579379.db2.gz CPCLXJGALBWRMY-MHORFTMASA-N 2 0 352.523 0.628 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C)CC1 ZINC001346696767 871962483 /nfs/dbraw/zinc/96/24/83/871962483.db2.gz UYPKVDAYROPFRB-JKSUJKDBSA-N 2 0 351.495 0.419 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001347182289 872204176 /nfs/dbraw/zinc/20/41/76/872204176.db2.gz DOJANKOVCGHWSY-FUHWJXTLSA-N 2 0 352.523 0.316 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001347335760 872282256 /nfs/dbraw/zinc/28/22/56/872282256.db2.gz NEYDPTNFQAKZGD-RDJZCZTQSA-N 2 0 355.527 0.421 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001330593641 872722756 /nfs/dbraw/zinc/72/27/56/872722756.db2.gz VSXCREJZJRGZHI-ZYHUDNBSSA-N 2 0 354.405 0.964 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)CC[C@H]21 ZINC001330619679 872737333 /nfs/dbraw/zinc/73/73/33/872737333.db2.gz RWNNINSFGPWVTA-IJLUTSLNSA-N 2 0 354.405 0.916 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001330991267 872904908 /nfs/dbraw/zinc/90/49/08/872904908.db2.gz QWNZCOVWTZNKJE-LMMKCTJWSA-N 2 0 350.507 0.431 20 0 FCADRP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001331043742 872928572 /nfs/dbraw/zinc/92/85/72/872928572.db2.gz WBXACKLALOEWHZ-BDJLRTHQSA-N 2 0 354.405 0.966 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119786 872967491 /nfs/dbraw/zinc/96/74/91/872967491.db2.gz PXTJMZKWAJSQCG-BPKGMFCQSA-N 2 0 350.507 0.870 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC001331129005 872973449 /nfs/dbraw/zinc/97/34/49/872973449.db2.gz ZVTFSSPTFMOQMF-CAOSSQGBSA-N 2 0 354.495 0.093 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001331473752 873116463 /nfs/dbraw/zinc/11/64/63/873116463.db2.gz GQZDLIILQKHNRX-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)[C@H]1CCC[NH2+]1 ZINC001332414887 873497816 /nfs/dbraw/zinc/49/78/16/873497816.db2.gz FATLDNHUHILKIK-ARFHVFGLSA-N 2 0 357.520 0.391 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574919402 948878456 /nfs/dbraw/zinc/87/84/56/948878456.db2.gz YPXSVSUSVAJTJJ-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926237 948992046 /nfs/dbraw/zinc/99/20/46/948992046.db2.gz LOXIDNVLKZUCTL-OLZOCXBDSA-N 2 0 358.450 0.190 20 0 FCADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926871 949024942 /nfs/dbraw/zinc/02/49/42/949024942.db2.gz ZJXKVJLIMGZSKQ-ZDUSSCGKSA-N 2 0 374.493 0.826 20 0 FCADRP CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573787276 949171499 /nfs/dbraw/zinc/17/14/99/949171499.db2.gz REUGBLHXHNFCNI-BETUJISGSA-N 2 0 370.461 0.617 20 0 FCADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575264192 949420230 /nfs/dbraw/zinc/42/02/30/949420230.db2.gz MUDSHCYWBDKKAJ-NWDGAFQWSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574962832 949737839 /nfs/dbraw/zinc/73/78/39/949737839.db2.gz CQUIYDUGDVCPTO-RDBSUJKOSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718520 949784441 /nfs/dbraw/zinc/78/44/41/949784441.db2.gz YMFRGUQQNCFNRC-ZDUSSCGKSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575281685 949813615 /nfs/dbraw/zinc/81/36/15/949813615.db2.gz AGPGUZFZGVNSPR-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204764 950473385 /nfs/dbraw/zinc/47/33/85/950473385.db2.gz BYUAGJIQCVEQQX-XJKSGUPXSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205161 950496392 /nfs/dbraw/zinc/49/63/92/950496392.db2.gz VSXINZYMYZYGGB-MLGOLLRUSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575923297 950658222 /nfs/dbraw/zinc/65/82/22/950658222.db2.gz QMRUSHFFCKFZHN-IUODEOHRSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214270 950666030 /nfs/dbraw/zinc/66/60/30/950666030.db2.gz OEQZMADJEGBYRZ-AVGNSLFASA-N 2 0 356.434 0.085 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001575090271 951759437 /nfs/dbraw/zinc/75/94/37/951759437.db2.gz KFTONEMJBZFOCV-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104842 951888447 /nfs/dbraw/zinc/88/84/47/951888447.db2.gz FFTALRZZOAPBCE-CQSZACIVSA-N 2 0 369.473 0.804 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575110238 951936797 /nfs/dbraw/zinc/93/67/97/951936797.db2.gz YKKKCQSBZWCABD-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571076473 952110175 /nfs/dbraw/zinc/11/01/75/952110175.db2.gz REUGBLHXHNFCNI-JOCQHMNTSA-N 2 0 370.461 0.617 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571077700 952122573 /nfs/dbraw/zinc/12/25/73/952122573.db2.gz FOEPRPPCCOTCJH-HZSPNIEDSA-N 2 0 370.461 0.427 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105100 952387805 /nfs/dbraw/zinc/38/78/05/952387805.db2.gz HQXREFNTBOOPQQ-GDBMZVCRSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571105293 952393382 /nfs/dbraw/zinc/39/33/82/952393382.db2.gz MQPRWESWYBGUEV-UONOGXRCSA-N 2 0 373.436 0.648 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571109876 952424723 /nfs/dbraw/zinc/42/47/23/952424723.db2.gz YXQONYPFUBKYLB-CQSZACIVSA-N 2 0 373.436 0.792 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C[NH+](C)C ZINC000293311679 214164180 /nfs/dbraw/zinc/16/41/80/214164180.db2.gz XGDISLKBNZAZOZ-CQSZACIVSA-N 2 0 350.463 0.879 20 0 FCADRP COc1cc(C[NH+](CCO)C[C@H](C)O)cc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000293331787 214165413 /nfs/dbraw/zinc/16/54/13/214165413.db2.gz MQEBNCUWYAVBLU-HOTGVXAUSA-N 2 0 370.490 0.045 20 0 FCADRP COCc1nn(C)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294591186 214255219 /nfs/dbraw/zinc/25/52/19/214255219.db2.gz PLVBEZQYJVFNHF-UHFFFAOYSA-N 2 0 372.473 0.904 20 0 FCADRP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000295156789 214280903 /nfs/dbraw/zinc/28/09/03/214280903.db2.gz GBSLTSCQRKSXJA-BRSBDYLESA-N 2 0 370.877 0.723 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000410848226 529861527 /nfs/dbraw/zinc/86/15/27/529861527.db2.gz YGHUJNXJWXUAIQ-QZTJIDSGSA-N 2 0 360.502 0.649 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410779162 529886274 /nfs/dbraw/zinc/88/62/74/529886274.db2.gz HLIIRJUTHUIDPM-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410969622 529929575 /nfs/dbraw/zinc/92/95/75/529929575.db2.gz FXMYWOUPOCFVLA-IKGGRYGDSA-N 2 0 350.507 0.872 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[NH+](C)C1 ZINC000331542481 215012542 /nfs/dbraw/zinc/01/25/42/215012542.db2.gz PQMMAIIQEOVVHA-LTIDMASMSA-N 2 0 366.506 0.107 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000331692028 215035787 /nfs/dbraw/zinc/03/57/87/215035787.db2.gz VFHSQYPCGOKYPF-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C[C@@H]1[NH3+] ZINC000331751289 215042865 /nfs/dbraw/zinc/04/28/65/215042865.db2.gz ABDXILAWMMRYLK-ULQDDVLXSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000331797953 215048301 /nfs/dbraw/zinc/04/83/01/215048301.db2.gz LSFIGPBULVUKFZ-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000331855551 215056860 /nfs/dbraw/zinc/05/68/60/215056860.db2.gz DPQQUNBGCGMSHR-GJZGRUSLSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000331900593 215064790 /nfs/dbraw/zinc/06/47/90/215064790.db2.gz VZDRMMQDSBOQBA-AQFXKWCLSA-N 2 0 350.507 0.966 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)CC1 ZINC000331871887 215059784 /nfs/dbraw/zinc/05/97/84/215059784.db2.gz ZQGJLBSXYIANDC-IRXDYDNUSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000332028176 215079825 /nfs/dbraw/zinc/07/98/25/215079825.db2.gz XYPQNPFIEACXLU-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000332079988 215089332 /nfs/dbraw/zinc/08/93/32/215089332.db2.gz JBALRRLNZAWXHP-KLAILNCOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)C[NH2+]1 ZINC000332098414 215093342 /nfs/dbraw/zinc/09/33/42/215093342.db2.gz XTSZWPGRCHMBPN-WTTBNOFXSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000332128376 215098135 /nfs/dbraw/zinc/09/81/35/215098135.db2.gz HNFHLJHXWPEKOF-PMPSAXMXSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332133185 215099148 /nfs/dbraw/zinc/09/91/48/215099148.db2.gz IPVQGKPYBSLCIB-OTBWCIGPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000332268029 215119072 /nfs/dbraw/zinc/11/90/72/215119072.db2.gz GAMVFWLADYKAHE-BFYDXBDKSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000332345566 215133679 /nfs/dbraw/zinc/13/36/79/215133679.db2.gz YCGXRHPOCYIJQK-XOYOTBSWSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000332537930 215173508 /nfs/dbraw/zinc/17/35/08/215173508.db2.gz VIHSHPWRWZCPKJ-PMPSAXMXSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332646851 215197906 /nfs/dbraw/zinc/19/79/06/215197906.db2.gz XGDOTRBQVDAJMV-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@@H]1C[NH3+] ZINC000332654504 215199235 /nfs/dbraw/zinc/19/92/35/215199235.db2.gz MEVXNIXKJFJHNQ-OIISXLGYSA-N 2 0 350.507 0.620 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CC(C)(C)O ZINC000333282119 215259001 /nfs/dbraw/zinc/25/90/01/215259001.db2.gz PPSNVYZJOQTAFK-PBHICJAKSA-N 2 0 358.552 0.910 20 0 FCADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333367412 215270807 /nfs/dbraw/zinc/27/08/07/215270807.db2.gz DYATUKKFYKEPRT-UYSNPLJNSA-N 2 0 361.494 0.149 20 0 FCADRP CC1(C)COCCN1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333421512 215279675 /nfs/dbraw/zinc/27/96/75/215279675.db2.gz SOOJPSMPPRIAAI-UHFFFAOYSA-N 2 0 367.538 0.613 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333641274 215303339 /nfs/dbraw/zinc/30/33/39/215303339.db2.gz IHQFHZVXXRNXDA-KGLIPLIRSA-N 2 0 363.428 0.702 20 0 FCADRP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000333648124 215304530 /nfs/dbraw/zinc/30/45/30/215304530.db2.gz YMQQTPWLRDTHPZ-AWEZNQCLSA-N 2 0 367.519 0.795 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333715962 215312595 /nfs/dbraw/zinc/31/25/95/215312595.db2.gz NBWIZGZKZXKOLG-MSOLQXFVSA-N 2 0 368.522 0.776 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811423 215322103 /nfs/dbraw/zinc/32/21/03/215322103.db2.gz JJJNBSRZUBXWRE-KURKYZTESA-N 2 0 367.538 0.421 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333823516 215323266 /nfs/dbraw/zinc/32/32/66/215323266.db2.gz LELCPZLMQLQOAA-KRWDZBQOSA-N 2 0 354.495 0.509 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333952107 215333286 /nfs/dbraw/zinc/33/32/86/215333286.db2.gz ZQXLNQQBFASRFE-MJBXVCDLSA-N 2 0 363.428 0.749 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000285364062 213330579 /nfs/dbraw/zinc/33/05/79/213330579.db2.gz ZAYLUIRYKJJGGG-QGZVFWFLSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000284814445 213227482 /nfs/dbraw/zinc/22/74/82/213227482.db2.gz LRUOMVHXRWNURT-HNNXBMFYSA-N 2 0 350.463 0.989 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCN1CCc2ccccc2C1)C1CC1 ZINC000284717286 213204287 /nfs/dbraw/zinc/20/42/87/213204287.db2.gz YAUOIKDHNWPKNE-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182833 213093027 /nfs/dbraw/zinc/09/30/27/213093027.db2.gz RDFACZLULVNBLZ-KDOFPFPSSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCn2ccnc2)C[C@H](C)O1 ZINC000284186217 213092837 /nfs/dbraw/zinc/09/28/37/213092837.db2.gz ZYFUFUFKPHGOIV-OWCLPIDISA-N 2 0 363.462 0.100 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284137839 213082564 /nfs/dbraw/zinc/08/25/64/213082564.db2.gz DMLDUAGETINGGO-SJORKVTESA-N 2 0 362.474 0.913 20 0 FCADRP C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)[C@H]1CCC[NH2+]C1 ZINC000262519640 209603653 /nfs/dbraw/zinc/60/36/53/209603653.db2.gz XDLRMJYEMBLYNZ-KBPBESRZSA-N 2 0 368.503 0.888 20 0 FCADRP COC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411911245 237100132 /nfs/dbraw/zinc/10/01/32/237100132.db2.gz NINZTOWVKVEDDS-MUGJNUQGSA-N 2 0 364.486 0.850 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959672 216056819 /nfs/dbraw/zinc/05/68/19/216056819.db2.gz FNPLJSQCIIKZLL-UGUYLWEFSA-N 2 0 354.470 0.478 20 0 FCADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000367046316 216068486 /nfs/dbraw/zinc/06/84/86/216068486.db2.gz VTCNMVQBCCEPMA-GOSISDBHSA-N 2 0 350.507 0.480 20 0 FCADRP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000367043046 216067252 /nfs/dbraw/zinc/06/72/52/216067252.db2.gz MWDXQWDWKDDKDR-KRWDZBQOSA-N 2 0 360.568 0.805 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000367649656 216146135 /nfs/dbraw/zinc/14/61/35/216146135.db2.gz VWWWXASRMAZYEC-HNNXBMFYSA-N 2 0 359.536 0.924 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654266 216147647 /nfs/dbraw/zinc/14/76/47/216147647.db2.gz URNGGSFULFSSLP-GASCZTMLSA-N 2 0 359.536 0.637 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368188350 216214185 /nfs/dbraw/zinc/21/41/85/216214185.db2.gz CFELCPYYIRKBMR-DLBZAZTESA-N 2 0 355.527 0.375 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410980 209388311 /nfs/dbraw/zinc/38/83/11/209388311.db2.gz BMQMQCGGNYEUEH-LZWOXQAQSA-N 2 0 352.479 0.796 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000245706064 209375090 /nfs/dbraw/zinc/37/50/90/209375090.db2.gz OGGAXRPEBCKWHE-ZWKOTPCHSA-N 2 0 353.507 0.983 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000192985329 209306648 /nfs/dbraw/zinc/30/66/48/209306648.db2.gz XNJRYJWCPHHVCM-UHFFFAOYSA-N 2 0 353.442 0.891 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)CC1=O ZINC000368598133 216269586 /nfs/dbraw/zinc/26/95/86/216269586.db2.gz MQCUDTUSXGLMGN-ORDFZIBCSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+]1CCCN(C(=O)CCSCCC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000368738373 216289499 /nfs/dbraw/zinc/28/94/99/216289499.db2.gz UFQQPSUGMKIPBW-UHFFFAOYSA-N 2 0 370.563 0.828 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000369025478 216333223 /nfs/dbraw/zinc/33/32/23/216333223.db2.gz DUHVLJXTNAENJD-BRWVUGGUSA-N 2 0 354.495 0.506 20 0 FCADRP C[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)C1(CO)CCOCC1 ZINC000190976196 209279785 /nfs/dbraw/zinc/27/97/85/209279785.db2.gz GKKFSFWCMIDBBP-UHFFFAOYSA-N 2 0 367.515 0.866 20 0 FCADRP COc1ccc(CN2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)CC2)cc1 ZINC000190873345 209279338 /nfs/dbraw/zinc/27/93/38/209279338.db2.gz BOXLACVNPQOGJE-AEFFLSMTSA-N 2 0 361.486 0.900 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401139 216396748 /nfs/dbraw/zinc/39/67/48/216396748.db2.gz KQDKZSLROAWSLZ-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000277538000 212371533 /nfs/dbraw/zinc/37/15/33/212371533.db2.gz LWQSYWYAUZSLLF-OKZBNKHCSA-N 2 0 373.501 0.165 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188586782 209234405 /nfs/dbraw/zinc/23/44/05/209234405.db2.gz HCXZXKNZVYUBAM-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP CCS(=O)(=O)NCCN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188298112 209228109 /nfs/dbraw/zinc/22/81/09/209228109.db2.gz LGOKGZLAULHJFM-KRWDZBQOSA-N 2 0 355.504 0.495 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122918 209223557 /nfs/dbraw/zinc/22/35/57/209223557.db2.gz QJDILPBXNNZDFA-LPHOPBHVSA-N 2 0 354.539 0.909 20 0 FCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000187818923 209218963 /nfs/dbraw/zinc/21/89/63/209218963.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 0 374.485 0.874 20 0 FCADRP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931486932 674117183 /nfs/dbraw/zinc/11/71/83/674117183.db2.gz MGURLHQEVOVFRK-HNNXBMFYSA-N 2 0 355.479 0.177 20 0 FCADRP Cc1ccc(CC(=O)N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414738608 245317201 /nfs/dbraw/zinc/31/72/01/245317201.db2.gz DVGUNQLKUQRSGJ-LJQANCHMSA-N 2 0 372.513 0.879 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760831 245321813 /nfs/dbraw/zinc/32/18/13/245321813.db2.gz RPAJBKLGKSYJMG-AQNXPRMDSA-N 2 0 372.513 0.769 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000414901075 245328133 /nfs/dbraw/zinc/32/81/33/245328133.db2.gz IANJDBHYWZCOQM-GOEBONIOSA-N 2 0 359.474 0.779 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1 ZINC000415233079 245366272 /nfs/dbraw/zinc/36/62/72/245366272.db2.gz UVLJFNOIGPRUAI-HNNXBMFYSA-N 2 0 363.506 0.987 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415273751 245374511 /nfs/dbraw/zinc/37/45/11/245374511.db2.gz SNRLZTXYFOMHHM-QGZVFWFLSA-N 2 0 373.501 0.712 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000184063836 209157286 /nfs/dbraw/zinc/15/72/86/209157286.db2.gz DVTRVIDDFSDNAE-MRXNPFEDSA-N 2 0 363.506 0.778 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363234 217122413 /nfs/dbraw/zinc/12/24/13/217122413.db2.gz PNEGHVVICAFFJK-IRXDYDNUSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC[N@@H+]1C ZINC000947069645 674124995 /nfs/dbraw/zinc/12/49/95/674124995.db2.gz ZQIDBPABXUKYRJ-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745185 217307318 /nfs/dbraw/zinc/30/73/18/217307318.db2.gz PYFXRZYEMWKUGC-TWMKSMIVSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCCC1 ZINC000417172647 245675975 /nfs/dbraw/zinc/67/59/75/245675975.db2.gz FXCMUTXKPVSFCK-HOTGVXAUSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000417150669 245676295 /nfs/dbraw/zinc/67/62/95/245676295.db2.gz GQCGQRVKRBVJDT-UONOGXRCSA-N 2 0 365.444 0.854 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417856505 245731600 /nfs/dbraw/zinc/73/16/00/245731600.db2.gz SHSRGVSIGPSISE-BZUAXINKSA-N 2 0 353.511 0.888 20 0 FCADRP [NH3+]C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000418603251 245801311 /nfs/dbraw/zinc/80/13/11/245801311.db2.gz WKMZRLWOHFRJMC-QWHCGFSZSA-N 2 0 351.417 0.639 20 0 FCADRP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000376434751 217398610 /nfs/dbraw/zinc/39/86/10/217398610.db2.gz JGUCBDZDYNCVLJ-SJORKVTESA-N 2 0 367.538 0.517 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000418672942 245814958 /nfs/dbraw/zinc/81/49/58/245814958.db2.gz UXOVTBBQBHSEGU-MMTVNHQJSA-N 2 0 351.495 0.402 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCO1 ZINC000418869753 245879813 /nfs/dbraw/zinc/87/98/13/245879813.db2.gz XHCVEVVBEWKCJH-ZWKOTPCHSA-N 2 0 374.485 0.516 20 0 FCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)c2cccs2)CC1 ZINC000418849744 245865265 /nfs/dbraw/zinc/86/52/65/245865265.db2.gz NEJRHURTZVBNHE-HNNXBMFYSA-N 2 0 364.515 0.973 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419126700 246001116 /nfs/dbraw/zinc/00/11/16/246001116.db2.gz NRJCOHPOMJMMMA-ULQDDVLXSA-N 2 0 367.538 0.008 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419129470 246005114 /nfs/dbraw/zinc/00/51/14/246005114.db2.gz DDWDLXUKVUJWRN-NQIIRXRSSA-N 2 0 370.497 0.979 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000419157647 246022416 /nfs/dbraw/zinc/02/24/16/246022416.db2.gz VOGKPBKWQOYILT-KRWDZBQOSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419133038 246006255 /nfs/dbraw/zinc/00/62/55/246006255.db2.gz IHDRNMKDKYZFHV-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419131325 246007222 /nfs/dbraw/zinc/00/72/22/246007222.db2.gz GQEZLIVTOOMXCX-JZXOWHBKSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000419131643 246007540 /nfs/dbraw/zinc/00/75/40/246007540.db2.gz CYYNFMPMHJYUMT-QGZVFWFLSA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419135153 246009928 /nfs/dbraw/zinc/00/99/28/246009928.db2.gz KSKCWRLRLFLACX-ZJPYXAASSA-N 2 0 358.486 0.929 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419140345 246011760 /nfs/dbraw/zinc/01/17/60/246011760.db2.gz VSWGNZKBYLVFFC-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419143067 246013735 /nfs/dbraw/zinc/01/37/35/246013735.db2.gz YRQXFQFSSNACNA-SJLPKXTDSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419150154 246016465 /nfs/dbraw/zinc/01/64/65/246016465.db2.gz LXDNZMADTWTSFQ-FQEVSTJZSA-N 2 0 374.485 0.455 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419149185 246018287 /nfs/dbraw/zinc/01/82/87/246018287.db2.gz KRDVWVGOIPPHNL-CYBMUJFWSA-N 2 0 352.504 0.882 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166132 246028541 /nfs/dbraw/zinc/02/85/41/246028541.db2.gz ONPAHIFOOLZWJD-QZTJIDSGSA-N 2 0 374.485 0.247 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000419163805 246028714 /nfs/dbraw/zinc/02/87/14/246028714.db2.gz XQEREAINDLTZFH-OTWHNJEPSA-N 2 0 370.497 0.926 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419168066 246030778 /nfs/dbraw/zinc/03/07/78/246030778.db2.gz JYNQCAPYGONCDA-SOUVJXGZSA-N 2 0 354.495 0.452 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419173223 246033446 /nfs/dbraw/zinc/03/34/46/246033446.db2.gz SIBKJNFLOXDBNC-OAHLLOKOSA-N 2 0 368.428 0.377 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419171219 246033642 /nfs/dbraw/zinc/03/36/42/246033642.db2.gz OLMXOAFXIHBTDP-GOSISDBHSA-N 2 0 358.486 0.489 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000419175758 246035420 /nfs/dbraw/zinc/03/54/20/246035420.db2.gz YAHPGBWIYYKRMC-QGZVFWFLSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419178120 246038263 /nfs/dbraw/zinc/03/82/63/246038263.db2.gz SSRWMJMDOZXKEZ-HNNXBMFYSA-N 2 0 373.501 0.934 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419188381 246044211 /nfs/dbraw/zinc/04/42/11/246044211.db2.gz SNTOXTHQGNMAHT-HOTGVXAUSA-N 2 0 352.479 0.004 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419191605 246044229 /nfs/dbraw/zinc/04/42/29/246044229.db2.gz OGKMQPKZAMWLOC-GOSISDBHSA-N 2 0 358.486 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000419190586 246044368 /nfs/dbraw/zinc/04/43/68/246044368.db2.gz MVVZYGOGRTVKKK-MRXNPFEDSA-N 2 0 358.486 0.630 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419191400 246044879 /nfs/dbraw/zinc/04/48/79/246044879.db2.gz OBZIJDZSRRBYSL-INIZCTEOSA-N 2 0 358.486 0.896 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419194823 246046257 /nfs/dbraw/zinc/04/62/57/246046257.db2.gz UFSRZWSBABXSDF-SFHVURJKSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419162021 246026229 /nfs/dbraw/zinc/02/62/29/246026229.db2.gz SVSDWCCQMNRFFG-KFWWJZLASA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419216029 246058233 /nfs/dbraw/zinc/05/82/33/246058233.db2.gz OVSQCOCMFAVFSC-RVKKMQEKSA-N 2 0 374.485 0.472 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419213892 246058450 /nfs/dbraw/zinc/05/84/50/246058450.db2.gz WYNFTPISSCGDJT-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C1 ZINC000419212986 246059229 /nfs/dbraw/zinc/05/92/29/246059229.db2.gz KYBRQKUCXKHYIE-INIZCTEOSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000419216025 246059281 /nfs/dbraw/zinc/05/92/81/246059281.db2.gz OVSQCOCMFAVFSC-IIDMSEBBSA-N 2 0 374.485 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H](C)[NH2+]1 ZINC000419218181 246062704 /nfs/dbraw/zinc/06/27/04/246062704.db2.gz RRAWEHMHJVKJBX-HUUCEWRRSA-N 2 0 362.474 0.452 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231191 246067533 /nfs/dbraw/zinc/06/75/33/246067533.db2.gz RKBBFDHGVRXPQX-BPUTZDHNSA-N 2 0 366.506 0.596 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419198610 246049166 /nfs/dbraw/zinc/04/91/66/246049166.db2.gz CVTUQDYPTBOGSP-FUHWJXTLSA-N 2 0 358.486 0.883 20 0 FCADRP CCN(CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)CCC(F)(F)F ZINC000419201978 246051057 /nfs/dbraw/zinc/05/10/57/246051057.db2.gz GOGYBKPLEVTEIX-UHFFFAOYSA-N 2 0 352.401 0.587 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419238690 246072880 /nfs/dbraw/zinc/07/28/80/246072880.db2.gz DMPZZAVMOGSBDL-VQFNDLOPSA-N 2 0 360.502 0.937 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310355 246094689 /nfs/dbraw/zinc/09/46/89/246094689.db2.gz QZBHVVNBNPSBKE-CJNGLKHVSA-N 2 0 366.506 0.739 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329486 246099300 /nfs/dbraw/zinc/09/93/00/246099300.db2.gz GJYVIBDYPFAKLL-RUGDWHBFSA-N 2 0 356.470 0.539 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419324838 246101415 /nfs/dbraw/zinc/10/14/15/246101415.db2.gz WDHUFCYGLPPZGJ-URLYELCFSA-N 2 0 374.460 0.820 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419296744 246089399 /nfs/dbraw/zinc/08/93/99/246089399.db2.gz FJNUFZJLXWCGQY-CYBMUJFWSA-N 2 0 365.453 0.090 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373346 246122321 /nfs/dbraw/zinc/12/23/21/246122321.db2.gz MQJVOBJGWVJRIO-RHSMWYFYSA-N 2 0 358.486 0.445 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419371679 246122414 /nfs/dbraw/zinc/12/24/14/246122414.db2.gz JJASVQJCQYLMHZ-YJBOKZPZSA-N 2 0 372.513 0.788 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000419381896 246126504 /nfs/dbraw/zinc/12/65/04/246126504.db2.gz YXVNGMOEDOALBJ-QRVBRYPASA-N 2 0 372.513 0.876 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000419386669 246126623 /nfs/dbraw/zinc/12/66/23/246126623.db2.gz BVYLCXDCNGCXNM-JKSUJKDBSA-N 2 0 362.499 0.280 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419391308 246129776 /nfs/dbraw/zinc/12/97/76/246129776.db2.gz JSOYQVKBTIUVPY-MSOLQXFVSA-N 2 0 374.485 0.126 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399689 246135133 /nfs/dbraw/zinc/13/51/33/246135133.db2.gz KDJJWDOCCJWQFG-RYQLBKOJSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419401979 246136992 /nfs/dbraw/zinc/13/69/92/246136992.db2.gz BRGDKTAZMPKQEA-OAHLLOKOSA-N 2 0 354.495 0.191 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000419406605 246138684 /nfs/dbraw/zinc/13/86/84/246138684.db2.gz JFNINMRVAVWEHA-QAPCUYQASA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419405894 246139065 /nfs/dbraw/zinc/13/90/65/246139065.db2.gz ICCNZIVAOFBVAM-WWGRRREGSA-N 2 0 350.438 0.740 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404613 246139602 /nfs/dbraw/zinc/13/96/02/246139602.db2.gz UDVDWCZNGREINA-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419407171 246139741 /nfs/dbraw/zinc/13/97/41/246139741.db2.gz JUCJBBDGOIOEAC-BJJXKVORSA-N 2 0 350.438 0.740 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419406877 246139923 /nfs/dbraw/zinc/13/99/23/246139923.db2.gz JOBGPACMHLHCDP-HZPDHXFCSA-N 2 0 350.507 0.897 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404535 246140219 /nfs/dbraw/zinc/14/02/19/246140219.db2.gz TXRJKYYWXLIKRN-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404536 246140297 /nfs/dbraw/zinc/14/02/97/246140297.db2.gz TXRJKYYWXLIKRN-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419408265 246141751 /nfs/dbraw/zinc/14/17/51/246141751.db2.gz LRBFLVKUUZSPPW-ZWKOTPCHSA-N 2 0 358.486 0.808 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419408261 246142168 /nfs/dbraw/zinc/14/21/68/246142168.db2.gz LRBFLVKUUZSPPW-MSOLQXFVSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419410902 246144147 /nfs/dbraw/zinc/14/41/47/246144147.db2.gz AUIUKQFZEXSFOO-MRXNPFEDSA-N 2 0 361.490 0.026 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419422463 246154050 /nfs/dbraw/zinc/15/40/50/246154050.db2.gz QIBWDTXVMTXGBN-KRWDZBQOSA-N 2 0 373.501 0.183 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419426256 246156848 /nfs/dbraw/zinc/15/68/48/246156848.db2.gz QOPNWFVQIWOJPJ-INIZCTEOSA-N 2 0 358.486 0.667 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000419428133 246159582 /nfs/dbraw/zinc/15/95/82/246159582.db2.gz SRKONXIKSZVIGI-IAGOWNOFSA-N 2 0 360.458 0.126 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419427613 246160035 /nfs/dbraw/zinc/16/00/35/246160035.db2.gz RYWDNNXYERXROL-INIZCTEOSA-N 2 0 358.486 0.619 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419419428 246152896 /nfs/dbraw/zinc/15/28/96/246152896.db2.gz ZHJWQZWEEQRNDJ-ZWKOTPCHSA-N 2 0 358.486 0.808 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000419512787 246185331 /nfs/dbraw/zinc/18/53/31/246185331.db2.gz KZFKKVFTWDGXAR-UHFFFAOYSA-N 2 0 361.490 0.040 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419523159 246190115 /nfs/dbraw/zinc/19/01/15/246190115.db2.gz AGCDWUXAFCZXQU-SJORKVTESA-N 2 0 362.474 0.372 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419525112 246193161 /nfs/dbraw/zinc/19/31/61/246193161.db2.gz CVTDEAFUZJUXAK-CWLKWCNXSA-N 2 0 358.486 0.819 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCSC1 ZINC000419576600 246208586 /nfs/dbraw/zinc/20/85/86/246208586.db2.gz CKZHIWYPHJFOKV-QGZVFWFLSA-N 2 0 354.520 0.142 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582083 246209814 /nfs/dbraw/zinc/20/98/14/246209814.db2.gz JXUUNWFVRONQHM-MAUKXSAKSA-N 2 0 368.547 0.531 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537305 246194862 /nfs/dbraw/zinc/19/48/62/246194862.db2.gz VRMGNXFSGFYZNA-YJBOKZPZSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537956 246195023 /nfs/dbraw/zinc/19/50/23/246195023.db2.gz WJCLRLMEVVDSBV-YSHGAJCASA-N 2 0 370.497 0.976 20 0 FCADRP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419558770 246201541 /nfs/dbraw/zinc/20/15/41/246201541.db2.gz OGUMXSKVGQRJNU-KKBVYLPWSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419561751 246201867 /nfs/dbraw/zinc/20/18/67/246201867.db2.gz UCYAEQDDFROWFU-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655130 246233688 /nfs/dbraw/zinc/23/36/88/246233688.db2.gz HFQZYCGBAAQWJK-NXHRZFHOSA-N 2 0 374.485 0.260 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650623 246230465 /nfs/dbraw/zinc/23/04/65/246230465.db2.gz OGHIYXJULDLNER-JCGIZDLHSA-N 2 0 356.470 0.540 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000419665702 246237842 /nfs/dbraw/zinc/23/78/42/246237842.db2.gz URXVEGAHHAZJLA-JOCBIADPSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000419668762 246239822 /nfs/dbraw/zinc/23/98/22/246239822.db2.gz UTXMFMFPOWTMHO-GASCZTMLSA-N 2 0 359.474 0.623 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000419684815 246247970 /nfs/dbraw/zinc/24/79/70/246247970.db2.gz VTGOMQFEIAFCSM-INIZCTEOSA-N 2 0 350.507 0.956 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419698327 246257313 /nfs/dbraw/zinc/25/73/13/246257313.db2.gz YSYJWNQWKYNYDE-OAHLLOKOSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCCC1 ZINC000419720637 246270227 /nfs/dbraw/zinc/27/02/27/246270227.db2.gz YPKYTGCELYMGIG-WCXIOVBPSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419705739 246261137 /nfs/dbraw/zinc/26/11/37/246261137.db2.gz BEQAKKAKWYJWMP-CYBMUJFWSA-N 2 0 364.877 0.635 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419709954 246263924 /nfs/dbraw/zinc/26/39/24/246263924.db2.gz PSBPWWZLDBZZJS-NXHRZFHOSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419709953 246264283 /nfs/dbraw/zinc/26/42/83/246264283.db2.gz PSBPWWZLDBZZJS-NJAFHUGGSA-N 2 0 374.485 0.342 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419718294 246267338 /nfs/dbraw/zinc/26/73/38/246267338.db2.gz DAOHTZKADNCACG-UHFFFAOYSA-N 2 0 362.474 0.119 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000419764450 246288430 /nfs/dbraw/zinc/28/84/30/246288430.db2.gz PKARZOPBDCOASJ-GOSISDBHSA-N 2 0 358.486 0.881 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+]2CCCC2)cc1 ZINC000419806973 246302031 /nfs/dbraw/zinc/30/20/31/246302031.db2.gz FRDPEZZORACTGH-QGZVFWFLSA-N 2 0 374.485 0.946 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419813072 246303155 /nfs/dbraw/zinc/30/31/55/246303155.db2.gz JPGQUCFKLWNRMB-AEFFLSMTSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814098 246303835 /nfs/dbraw/zinc/30/38/35/246303835.db2.gz KFNBIKBZIQPHTQ-FUHWJXTLSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419811184 246303995 /nfs/dbraw/zinc/30/39/95/246303995.db2.gz FVMJURIKXUHDLY-RYQLBKOJSA-N 2 0 358.486 0.788 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000419823977 246306961 /nfs/dbraw/zinc/30/69/61/246306961.db2.gz QHBFAJSTYJQHPA-CRAIPNDOSA-N 2 0 374.485 0.769 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419815312 246305710 /nfs/dbraw/zinc/30/57/10/246305710.db2.gz PIOBTPSXKUUHNS-CWRNSKLLSA-N 2 0 362.474 0.635 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419731475 246273764 /nfs/dbraw/zinc/27/37/64/246273764.db2.gz LKFIGDWRUXXUAM-JKSUJKDBSA-N 2 0 350.438 0.537 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000419825986 246308034 /nfs/dbraw/zinc/30/80/34/246308034.db2.gz RSIHSEFYUNNNQQ-AEFFLSMTSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000419834969 246312702 /nfs/dbraw/zinc/31/27/02/246312702.db2.gz UPKRTULMHXGMSD-RDJZCZTQSA-N 2 0 367.538 0.010 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419860887 246330423 /nfs/dbraw/zinc/33/04/23/246330423.db2.gz LISXAXMCVADGLB-ROUUACIJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862628 246331847 /nfs/dbraw/zinc/33/18/47/246331847.db2.gz MYQSQFNRTPQFBB-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419864743 246332749 /nfs/dbraw/zinc/33/27/49/246332749.db2.gz GBJHPGKLACVZIQ-HRCADAONSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419876410 246342871 /nfs/dbraw/zinc/34/28/71/246342871.db2.gz PPSDZGFLDNSAKN-IRXDYDNUSA-N 2 0 367.538 0.118 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419877984 246346315 /nfs/dbraw/zinc/34/63/15/246346315.db2.gz RICOZKRVXYYEBE-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419882990 246347573 /nfs/dbraw/zinc/34/75/73/246347573.db2.gz CXEGUTUQTATEIR-FUHWJXTLSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000419908556 246363327 /nfs/dbraw/zinc/36/33/27/246363327.db2.gz YQGIGBCKGAQRFU-XHSDSOJGSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419958311 246389040 /nfs/dbraw/zinc/38/90/40/246389040.db2.gz QDZPXPPYMPSXJL-RBSFLKMASA-N 2 0 354.495 0.045 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419962954 246389532 /nfs/dbraw/zinc/38/95/32/246389532.db2.gz VOXFMNCCTJNDFU-QGZVFWFLSA-N 2 0 360.502 0.865 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423135083 246966745 /nfs/dbraw/zinc/96/67/45/246966745.db2.gz SLUUKRAGYMXIJZ-DLBZAZTESA-N 2 0 352.523 0.881 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423368213 247012695 /nfs/dbraw/zinc/01/26/95/247012695.db2.gz DWOWRGFEBXCWMW-UHFFFAOYSA-N 2 0 358.486 0.829 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423379474 247016459 /nfs/dbraw/zinc/01/64/59/247016459.db2.gz XSDVTGXEWHESFH-CQSZACIVSA-N 2 0 352.504 0.706 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423390755 247017238 /nfs/dbraw/zinc/01/72/38/247017238.db2.gz MTQYMHFYAGUYNG-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000423387074 247018673 /nfs/dbraw/zinc/01/86/73/247018673.db2.gz HLHBTGXSQHHSJU-YTQUADARSA-N 2 0 370.497 0.884 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423311156 247003356 /nfs/dbraw/zinc/00/33/56/247003356.db2.gz STQOMHJXFBSKDG-ZWKOTPCHSA-N 2 0 358.486 0.884 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423566860 247055826 /nfs/dbraw/zinc/05/58/26/247055826.db2.gz CJCKXLSVHNHXHC-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423583235 247060990 /nfs/dbraw/zinc/06/09/90/247060990.db2.gz BVNRUXDIISABCI-KRWDZBQOSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423583827 247063508 /nfs/dbraw/zinc/06/35/08/247063508.db2.gz BADHLBJNUNOHHZ-OAHLLOKOSA-N 2 0 368.503 0.215 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)C1 ZINC000423431076 247025423 /nfs/dbraw/zinc/02/54/23/247025423.db2.gz AGTFAWDRNIKATD-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000423437741 247027261 /nfs/dbraw/zinc/02/72/61/247027261.db2.gz GOCQRHVPZUBWEB-BZUAXINKSA-N 2 0 354.495 0.141 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000423487424 247035755 /nfs/dbraw/zinc/03/57/55/247035755.db2.gz XEXKGHCTVXRBLM-INIZCTEOSA-N 2 0 362.474 0.535 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000423489422 247036141 /nfs/dbraw/zinc/03/61/41/247036141.db2.gz WNENHOAHWLRQTO-HZPDHXFCSA-N 2 0 368.522 0.389 20 0 FCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423600146 247070544 /nfs/dbraw/zinc/07/05/44/247070544.db2.gz AOKJTZZXJSPEAE-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423644376 247090146 /nfs/dbraw/zinc/09/01/46/247090146.db2.gz DHYRAYCPBGNRRE-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000423657903 247096825 /nfs/dbraw/zinc/09/68/25/247096825.db2.gz WWKGEGPJLIJXLJ-JKSUJKDBSA-N 2 0 373.501 0.965 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423668740 247102674 /nfs/dbraw/zinc/10/26/74/247102674.db2.gz WTLYVASERNZSOI-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423747787 247137699 /nfs/dbraw/zinc/13/76/99/247137699.db2.gz PZLYEEDWIHZODM-JKSUJKDBSA-N 2 0 355.479 0.631 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423788627 247141999 /nfs/dbraw/zinc/14/19/99/247141999.db2.gz YALSVJSUDFFOHM-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861483 247145279 /nfs/dbraw/zinc/14/52/79/247145279.db2.gz COADEDWUFXKXFT-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988457 247156251 /nfs/dbraw/zinc/15/62/51/247156251.db2.gz XOLZUASLISWEPG-YYAJDYIMSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423701163 247116237 /nfs/dbraw/zinc/11/62/37/247116237.db2.gz WBCZNSUEOVEGFL-CVEARBPZSA-N 2 0 355.527 0.057 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423718113 247124410 /nfs/dbraw/zinc/12/44/10/247124410.db2.gz BXUNYEDGRIWERW-YESZJQIVSA-N 2 0 362.449 0.631 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C[C@@H]1[NH3+] ZINC000423743360 247135922 /nfs/dbraw/zinc/13/59/22/247135922.db2.gz LRBKBUWZPKKDTQ-BVBHFADKSA-N 2 0 370.497 0.773 20 0 FCADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424295082 247195261 /nfs/dbraw/zinc/19/52/61/247195261.db2.gz QQDOATHSYSPGJK-CYBMUJFWSA-N 2 0 366.487 0.737 20 0 FCADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH2+]CC2 ZINC000424291365 247195394 /nfs/dbraw/zinc/19/53/94/247195394.db2.gz NQZLBJTVFHKINC-OAHLLOKOSA-N 2 0 374.485 0.631 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000424125644 247169476 /nfs/dbraw/zinc/16/94/76/247169476.db2.gz ANPSKJBPMYMWFT-QLFBSQMISA-N 2 0 350.467 0.432 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424163880 247173408 /nfs/dbraw/zinc/17/34/08/247173408.db2.gz YFUJMSFAAGLZEA-UONOGXRCSA-N 2 0 362.478 0.194 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424524378 247250810 /nfs/dbraw/zinc/25/08/10/247250810.db2.gz PRDDKNIIFSDNLH-GBESFXJTSA-N 2 0 370.497 0.835 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000424440622 247216052 /nfs/dbraw/zinc/21/60/52/247216052.db2.gz RBLQUUZAHQKNJW-UHFFFAOYSA-N 2 0 374.485 0.963 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000424446037 247218437 /nfs/dbraw/zinc/21/84/37/247218437.db2.gz GTAYWZAPJHJHLS-KRWDZBQOSA-N 2 0 350.488 0.946 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000424466135 247229599 /nfs/dbraw/zinc/22/95/99/247229599.db2.gz KXKQBBJLACMIKZ-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000424474454 247230174 /nfs/dbraw/zinc/23/01/74/247230174.db2.gz XLDXWGKJQDVGOV-QZTJIDSGSA-N 2 0 374.485 0.886 20 0 FCADRP CC(C)N1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000429496139 247648584 /nfs/dbraw/zinc/64/85/84/247648584.db2.gz VOFIKBVRNAURGS-MRXNPFEDSA-N 2 0 355.527 0.911 20 0 FCADRP C[NH2+]CC1CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000430961453 247742036 /nfs/dbraw/zinc/74/20/36/247742036.db2.gz DJKUPQWKJNOLJK-UHFFFAOYSA-N 2 0 350.438 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)CSCC(=O)NCC2([NH+](C)C)CCC2)CCC1 ZINC000438520304 248088397 /nfs/dbraw/zinc/08/83/97/248088397.db2.gz VXUDSGBKABSMDL-UHFFFAOYSA-N 2 0 370.563 0.921 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438882612 248098782 /nfs/dbraw/zinc/09/87/82/248098782.db2.gz FMBPYKUZGDITES-RDJZCZTQSA-N 2 0 357.458 0.494 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000440091665 248155369 /nfs/dbraw/zinc/15/53/69/248155369.db2.gz YIVDHWDMODZPOQ-MRXNPFEDSA-N 2 0 355.527 0.911 20 0 FCADRP CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000439472440 248129407 /nfs/dbraw/zinc/12/94/07/248129407.db2.gz ISPHXCSOQTUWIG-LJQANCHMSA-N 2 0 369.506 0.879 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443377471 248323326 /nfs/dbraw/zinc/32/33/26/248323326.db2.gz GLUGMCUWPMREPC-KRWDZBQOSA-N 2 0 354.539 0.922 20 0 FCADRP COc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443512292 248330449 /nfs/dbraw/zinc/33/04/49/248330449.db2.gz SXQUHWSUIYWALA-AJNGGQMLSA-N 2 0 363.510 0.938 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000443650876 248334604 /nfs/dbraw/zinc/33/46/04/248334604.db2.gz INFBPVWDLKJABQ-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179624 248349755 /nfs/dbraw/zinc/34/97/55/248349755.db2.gz ZTXZJCZAQHQQOK-IYOUNJFTSA-N 2 0 354.495 0.223 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444271971 248353806 /nfs/dbraw/zinc/35/38/06/248353806.db2.gz UWIJCWLKRBJWTF-KXBFYZLASA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000271172743 211349247 /nfs/dbraw/zinc/34/92/47/211349247.db2.gz XOLUCDFFAMAZGR-INIZCTEOSA-N 2 0 361.490 0.418 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000459925084 249792112 /nfs/dbraw/zinc/79/21/12/249792112.db2.gz UBZWUGUIZGXBHO-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP Cc1ccccc1CN1CCN(C(=O)CN2CC[C@H](NC(N)=O)C2)CC1 ZINC000270593416 211231238 /nfs/dbraw/zinc/23/12/38/211231238.db2.gz FLUUIIQLAWLXGH-KRWDZBQOSA-N 2 0 359.474 0.382 20 0 FCADRP Cn1c(=O)cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270219169 211169776 /nfs/dbraw/zinc/16/97/76/211169776.db2.gz MVVLTFIVQRYJRJ-UHFFFAOYSA-N 2 0 355.442 0.722 20 0 FCADRP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000471655854 250114662 /nfs/dbraw/zinc/11/46/62/250114662.db2.gz YYVCRDNVLGRLSP-DLBZAZTESA-N 2 0 355.527 0.232 20 0 FCADRP CC(=O)N1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000474008699 250264027 /nfs/dbraw/zinc/26/40/27/250264027.db2.gz KXRPWFLDXUUISO-QGZVFWFLSA-N 2 0 374.489 0.514 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000481132415 250316592 /nfs/dbraw/zinc/31/65/92/250316592.db2.gz FBKCUPFKJVQYGW-UGUYLWEFSA-N 2 0 350.507 0.964 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481772691 250357314 /nfs/dbraw/zinc/35/73/14/250357314.db2.gz BNMSLEXOYDAWBR-RDJZCZTQSA-N 2 0 358.552 0.816 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCSC1 ZINC000481784467 250359222 /nfs/dbraw/zinc/35/92/22/250359222.db2.gz SWOUJPYVORTXBE-KRWDZBQOSA-N 2 0 358.552 0.912 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000481804349 250361644 /nfs/dbraw/zinc/36/16/44/250361644.db2.gz DYGWZEYIVWARJT-AESZEHBQSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000067381951 208022344 /nfs/dbraw/zinc/02/23/44/208022344.db2.gz XIMJHUHTACSWOK-UHFFFAOYSA-N 2 0 361.490 0.871 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000067045128 208023636 /nfs/dbraw/zinc/02/36/36/208023636.db2.gz YWIHHANLRUWWKO-IYBDPMFKSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000075889342 208062601 /nfs/dbraw/zinc/06/26/01/208062601.db2.gz QMSVQAGCTHWWPG-GOSISDBHSA-N 2 0 352.523 0.772 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000089896000 208122924 /nfs/dbraw/zinc/12/29/24/208122924.db2.gz RJPKYIJSOJVRDG-ROUUACIJSA-N 2 0 364.490 0.499 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266169119 210296568 /nfs/dbraw/zinc/29/65/68/210296568.db2.gz YTBBZCREARBKKN-UHFFFAOYSA-N 2 0 363.506 0.630 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000176603848 209006767 /nfs/dbraw/zinc/00/67/67/209006767.db2.gz HRIYTTBCXFGFLZ-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H](C)O1 ZINC000177343051 209022017 /nfs/dbraw/zinc/02/20/17/209022017.db2.gz WGJZYAAQEVGVTN-CALCHBBNSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180001398 209088145 /nfs/dbraw/zinc/08/81/45/209088145.db2.gz JGHQXSJAOFWZHR-UHFFFAOYSA-N 2 0 361.490 0.833 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413586412 533477663 /nfs/dbraw/zinc/47/76/63/533477663.db2.gz PQIPVEABMXICKT-AWEZNQCLSA-N 2 0 372.535 0.560 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[N@H+](C)C1 ZINC000413079064 533477908 /nfs/dbraw/zinc/47/79/08/533477908.db2.gz UIFMDSQDGUPNCX-HNNXBMFYSA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+](C)C1 ZINC000413068493 533479459 /nfs/dbraw/zinc/47/94/59/533479459.db2.gz XHYXGFRQCVZEOE-KRWDZBQOSA-N 2 0 362.474 0.994 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413463040 533480692 /nfs/dbraw/zinc/48/06/92/533480692.db2.gz XZCQJXXFZQXPJJ-CVEARBPZSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC[N@H+](C)C1 ZINC000413456978 533481572 /nfs/dbraw/zinc/48/15/72/533481572.db2.gz KTDCJEXGYVCONY-CVEARBPZSA-N 2 0 354.495 0.997 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410429799 230075649 /nfs/dbraw/zinc/07/56/49/230075649.db2.gz DKGZKYWDQRFJNR-MRXNPFEDSA-N 2 0 354.495 0.108 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410431766 230077463 /nfs/dbraw/zinc/07/74/63/230077463.db2.gz IIKASQSMTVOEHM-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410473340 230092360 /nfs/dbraw/zinc/09/23/60/230092360.db2.gz JFRQFNXKBQMBKB-RDJZCZTQSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410479933 230097853 /nfs/dbraw/zinc/09/78/53/230097853.db2.gz XMJNHNHQRNXDHP-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000410954963 230323268 /nfs/dbraw/zinc/32/32/68/230323268.db2.gz QHNWFZFLOFLBTI-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410996748 230343292 /nfs/dbraw/zinc/34/32/92/230343292.db2.gz MEYYBGFBSRLEGO-GOSISDBHSA-N 2 0 350.507 0.873 20 0 FCADRP NC(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000299667355 488864991 /nfs/dbraw/zinc/86/49/91/488864991.db2.gz XOOVNFWKIXYAHJ-UHFFFAOYSA-N 2 0 368.441 0.518 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000278298359 488866235 /nfs/dbraw/zinc/86/62/35/488866235.db2.gz RRPLMSOBGMMKLC-INIZCTEOSA-N 2 0 364.490 0.639 20 0 FCADRP COc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000278470691 488876838 /nfs/dbraw/zinc/87/68/38/488876838.db2.gz CTXPPOUHMJGGKT-UHFFFAOYSA-N 2 0 358.508 0.984 20 0 FCADRP CC(C)c1nc(N(C)C)nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000301969988 488885792 /nfs/dbraw/zinc/88/57/92/488885792.db2.gz QYTLMEHBONWWHM-CQSZACIVSA-N 2 0 361.494 0.980 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1=O ZINC000364192838 488933371 /nfs/dbraw/zinc/93/33/71/488933371.db2.gz MEDYKQFZJHDMQT-HYVNUMGLSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000364278338 488942569 /nfs/dbraw/zinc/94/25/69/488942569.db2.gz INXUKEMLXUFTQK-ZCNNSNEGSA-N 2 0 374.529 0.937 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000288235087 488959859 /nfs/dbraw/zinc/95/98/59/488959859.db2.gz QBEDRJFMRIUJJX-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000056524338 488257876 /nfs/dbraw/zinc/25/78/76/488257876.db2.gz YFZHKRAKWCFTRE-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000562823159 491193159 /nfs/dbraw/zinc/19/31/59/491193159.db2.gz SXJWNPSTYRNBAG-HUUCEWRRSA-N 2 0 352.866 0.912 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000562828765 491194219 /nfs/dbraw/zinc/19/42/19/491194219.db2.gz LYHOKBFUQRMSNN-MRXNPFEDSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152711 488388242 /nfs/dbraw/zinc/38/82/42/488388242.db2.gz LNMWDXPJOOXREK-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000074495310 488392208 /nfs/dbraw/zinc/39/22/08/488392208.db2.gz HXHFFKROPDHLJG-MRXNPFEDSA-N 2 0 351.495 0.420 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000074495315 488392439 /nfs/dbraw/zinc/39/24/39/488392439.db2.gz HXHFFKROPDHLJG-INIZCTEOSA-N 2 0 351.495 0.420 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490745 488392560 /nfs/dbraw/zinc/39/25/60/488392560.db2.gz GLUZUHBOPQPRFW-ZDUSSCGKSA-N 2 0 354.524 0.997 20 0 FCADRP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000186304891 488405715 /nfs/dbraw/zinc/40/57/15/488405715.db2.gz DKDBDJLLSKXBTH-MRXNPFEDSA-N 2 0 351.495 0.958 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000077176358 488409122 /nfs/dbraw/zinc/40/91/22/488409122.db2.gz VLGVXBRXCCLSKV-ZIFCJYIRSA-N 2 0 355.523 0.501 20 0 FCADRP CCN1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)CC1 ZINC000187949685 488411150 /nfs/dbraw/zinc/41/11/50/488411150.db2.gz JKJJHRWAQWLXTN-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554342754 491196768 /nfs/dbraw/zinc/19/67/68/491196768.db2.gz DHRXFXLXBOXPDW-NVXWUHKLSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077800243 488418249 /nfs/dbraw/zinc/41/82/49/488418249.db2.gz WXVDUDYZTACTFJ-UHFFFAOYSA-N 2 0 364.490 0.883 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000077827036 488418878 /nfs/dbraw/zinc/41/88/78/488418878.db2.gz VVBMNYKIYNGLIU-LBPRGKRZSA-N 2 0 367.416 0.284 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000192591279 488422810 /nfs/dbraw/zinc/42/28/10/488422810.db2.gz XSQMMBXTLFMBGT-INIZCTEOSA-N 2 0 369.535 0.920 20 0 FCADRP C[C@H]1COCCN1CCN1CC[N@H+](CCN2CCOC[C@@H]2C)CC1(C)C ZINC000192761160 488424164 /nfs/dbraw/zinc/42/41/64/488424164.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 0 368.566 0.824 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000195140076 488435576 /nfs/dbraw/zinc/43/55/76/488435576.db2.gz UTFYJRBVMWDJQN-GOSISDBHSA-N 2 0 369.554 0.668 20 0 FCADRP C[C@H]([NH2+]CCOCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268727137 488445420 /nfs/dbraw/zinc/44/54/20/488445420.db2.gz MPWKBQFOHBQIHO-HNNXBMFYSA-N 2 0 373.519 0.576 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000085634373 488451983 /nfs/dbraw/zinc/45/19/83/488451983.db2.gz UWPUJIFMTANBAG-AEFFLSMTSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cn1 ZINC000237171472 488454313 /nfs/dbraw/zinc/45/43/13/488454313.db2.gz ZWJCFAKOFCQRMX-SFHVURJKSA-N 2 0 370.457 0.386 20 0 FCADRP C[C@H](O)c1cn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000268903519 488456263 /nfs/dbraw/zinc/45/62/63/488456263.db2.gz UMIBHUGHKQQUTF-HNNXBMFYSA-N 2 0 373.461 0.055 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000246342022 488471932 /nfs/dbraw/zinc/47/19/32/488471932.db2.gz OVWUNKLGBUVSPI-ROUUACIJSA-N 2 0 369.554 0.526 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H](C)C1 ZINC000246660376 488474949 /nfs/dbraw/zinc/47/49/49/488474949.db2.gz UJTIAPLRVFGSPL-XYJFISCASA-N 2 0 358.527 0.735 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](C)C1 ZINC000246660361 488475024 /nfs/dbraw/zinc/47/50/24/488475024.db2.gz UJTIAPLRVFGSPL-SOLBZPMBSA-N 2 0 358.527 0.735 20 0 FCADRP COc1cc[nH+]c(N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1 ZINC000092895348 488476888 /nfs/dbraw/zinc/47/68/88/488476888.db2.gz MIYOZNYXWHVFSX-UHFFFAOYSA-N 2 0 352.402 0.975 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247070982 488481065 /nfs/dbraw/zinc/48/10/65/488481065.db2.gz OPFQYXBLPHONIA-MSOLQXFVSA-N 2 0 368.522 0.707 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269251275 488482526 /nfs/dbraw/zinc/48/25/26/488482526.db2.gz PJYFODOWTVNSSS-MSOLQXFVSA-N 2 0 358.486 0.760 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000269301737 488489254 /nfs/dbraw/zinc/48/92/54/488489254.db2.gz QSZCDAMFVDRRHA-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H]1C ZINC000248367863 488495206 /nfs/dbraw/zinc/49/52/06/488495206.db2.gz UNXYBPPTEAJIIE-KBPBESRZSA-N 2 0 357.462 0.742 20 0 FCADRP Cc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1NS(C)(=O)=O ZINC000103210763 488499980 /nfs/dbraw/zinc/49/99/80/488499980.db2.gz DZNTUBIOLJEPLY-UHFFFAOYSA-N 2 0 370.519 0.932 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1c2ccccc2OCC1=O ZINC000103211409 488500008 /nfs/dbraw/zinc/50/00/08/488500008.db2.gz RPHGXHXJNUWDFX-UHFFFAOYSA-N 2 0 362.474 0.754 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103314385 488500903 /nfs/dbraw/zinc/50/09/03/488500903.db2.gz JLUJGWAAMNKENG-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922265 491203332 /nfs/dbraw/zinc/20/33/32/491203332.db2.gz FMAIJCMRMYIFDP-DLBZAZTESA-N 2 0 356.474 0.933 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106557270 488514862 /nfs/dbraw/zinc/51/48/62/488514862.db2.gz FRRSGKYWOULFLL-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108555028 488519720 /nfs/dbraw/zinc/51/97/20/488519720.db2.gz KTGWLTMGILERHM-QGZVFWFLSA-N 2 0 365.522 0.761 20 0 FCADRP O=C(CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705315 488531942 /nfs/dbraw/zinc/53/19/42/488531942.db2.gz PDMOJMBVGNFVLD-RYUDHWBXSA-N 2 0 350.385 0.245 20 0 FCADRP C[C@]1(C[NH3+])CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000261716203 488532268 /nfs/dbraw/zinc/53/22/68/488532268.db2.gz JBANGJKHDIJAIC-HXUWFJFHSA-N 2 0 374.485 0.446 20 0 FCADRP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1OC ZINC000261788601 488536009 /nfs/dbraw/zinc/53/60/09/488536009.db2.gz YSLSLDBHBIYEAP-CQSZACIVSA-N 2 0 351.447 0.999 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC000261889281 488540163 /nfs/dbraw/zinc/54/01/63/488540163.db2.gz QGGDYENIZOVNNV-KFKAGJAMSA-N 2 0 370.497 0.808 20 0 FCADRP O=C(CC[NH+]1CCN(c2ncnc3ccsc32)CC1)N1CC[NH2+]CC1 ZINC000261975506 488544406 /nfs/dbraw/zinc/54/44/06/488544406.db2.gz BRPXVBTZSBZTEK-UHFFFAOYSA-N 2 0 360.487 0.635 20 0 FCADRP O=C(CC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1)N1CC[NH2+]CC1 ZINC000262053151 488548384 /nfs/dbraw/zinc/54/83/84/488548384.db2.gz INJPQGVLRRINBS-UHFFFAOYSA-N 2 0 350.488 0.718 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000262066270 488548781 /nfs/dbraw/zinc/54/87/81/488548781.db2.gz SBEWLNUCJZXPNS-LSDHHAIUSA-N 2 0 356.392 0.653 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262076662 488549405 /nfs/dbraw/zinc/54/94/05/488549405.db2.gz PYWXFUPXQCYDHM-FQEVSTJZSA-N 2 0 371.529 0.948 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)CC1 ZINC000271837848 488549483 /nfs/dbraw/zinc/54/94/83/488549483.db2.gz YBYJBEYKXYRTBS-CYBMUJFWSA-N 2 0 350.467 0.545 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262119288 488552016 /nfs/dbraw/zinc/55/20/16/488552016.db2.gz FVBUPDFBUUAEIG-UHFFFAOYSA-N 2 0 363.506 0.967 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119633753 488558265 /nfs/dbraw/zinc/55/82/65/488558265.db2.gz IFEMCRCBYUUCRB-SJORKVTESA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000262274169 488560868 /nfs/dbraw/zinc/56/08/68/488560868.db2.gz YRGTUPPUHFRWSK-CALCHBBNSA-N 3 0 352.523 0.630 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)c2)CC1 ZINC000262314277 488563541 /nfs/dbraw/zinc/56/35/41/488563541.db2.gz DDWDMSGWUBBJLY-HXUWFJFHSA-N 2 0 371.529 0.554 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000121129812 488565043 /nfs/dbraw/zinc/56/50/43/488565043.db2.gz KEQKDZPCXQEVRI-FUHWJXTLSA-N 2 0 358.527 0.735 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262347721 488565248 /nfs/dbraw/zinc/56/52/48/488565248.db2.gz IQTLKQDLPNMTEC-SFHVURJKSA-N 2 0 374.485 0.743 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000262428445 488569786 /nfs/dbraw/zinc/56/97/86/488569786.db2.gz BJJVCFYRCIOUDG-RTBURBONSA-N 2 0 360.502 0.736 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)Cc1ccccc1 ZINC000272321661 488572855 /nfs/dbraw/zinc/57/28/55/488572855.db2.gz LGQJBWIQOBGVGW-IAGOWNOFSA-N 2 0 369.531 0.818 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122072180 488574945 /nfs/dbraw/zinc/57/49/45/488574945.db2.gz KJSHCWFLZPMKHG-BZSNNMDCSA-N 2 0 358.486 0.663 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262637594 488583763 /nfs/dbraw/zinc/58/37/63/488583763.db2.gz QFZUWASOWOVTJW-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[NH2+]CC3CC3)c2)C1 ZINC000262662535 488585014 /nfs/dbraw/zinc/58/50/14/488585014.db2.gz YYRUQXJKDJRGJN-GOSISDBHSA-N 2 0 358.486 1.000 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000262673621 488585520 /nfs/dbraw/zinc/58/55/20/488585520.db2.gz QFWDZMFRKCIMEK-UHFFFAOYSA-N 2 0 352.483 0.633 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000123770812 488587173 /nfs/dbraw/zinc/58/71/73/488587173.db2.gz NVEBHAQEKVXPFW-UHFFFAOYSA-N 2 0 368.570 0.338 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262756621 488590590 /nfs/dbraw/zinc/59/05/90/488590590.db2.gz DMUWZUQPGZAEHN-LJQANCHMSA-N 2 0 365.441 0.886 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806804 488594520 /nfs/dbraw/zinc/59/45/20/488594520.db2.gz PUMPQXRDAKUKIF-IRXDYDNUSA-N 2 0 362.522 0.811 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000124924317 488596670 /nfs/dbraw/zinc/59/66/70/488596670.db2.gz GSEVVJJFERWREZ-ILXRZTDVSA-N 2 0 351.495 0.498 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccn1 ZINC000272728994 488600934 /nfs/dbraw/zinc/60/09/34/488600934.db2.gz ZHEPPNHCYXKKAC-HNNXBMFYSA-N 2 0 363.462 0.092 20 0 FCADRP Cc1ccccc1CN1CCN(C(=O)CN2CCCN(C=O)CC2)CC1 ZINC000272851162 488611092 /nfs/dbraw/zinc/61/10/92/488611092.db2.gz DGINVQUTVHDCHU-UHFFFAOYSA-N 2 0 358.486 0.803 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316730 488616119 /nfs/dbraw/zinc/61/61/19/488616119.db2.gz VCQKKAVBDYZQEO-JKSUJKDBSA-N 2 0 363.506 0.561 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000570062599 491213958 /nfs/dbraw/zinc/21/39/58/491213958.db2.gz QCXUMDJMQIXUGC-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000554616396 491213205 /nfs/dbraw/zinc/21/32/05/491213205.db2.gz GQEJYNSRPJMCCF-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000563077636 491213327 /nfs/dbraw/zinc/21/33/27/491213327.db2.gz LUNCITXXKBWKHI-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563079164 491213857 /nfs/dbraw/zinc/21/38/57/491213857.db2.gz CSOKGMDEROQSKQ-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000133606772 488661002 /nfs/dbraw/zinc/66/10/02/488661002.db2.gz SYCFFRLGYWIUNO-UHFFFAOYSA-N 2 0 364.494 0.621 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000136827688 488678838 /nfs/dbraw/zinc/67/88/38/488678838.db2.gz ZLLNHCKKAVDSSH-IRXDYDNUSA-N 2 0 365.522 0.666 20 0 FCADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136814182 488678960 /nfs/dbraw/zinc/67/89/60/488678960.db2.gz CREOUGUWXQBFIM-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000136958643 488679742 /nfs/dbraw/zinc/67/97/42/488679742.db2.gz UGGSQASDEFATKS-DOTOQJQBSA-N 2 0 363.506 0.419 20 0 FCADRP COc1cccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713905 488702247 /nfs/dbraw/zinc/70/22/47/488702247.db2.gz DZDJYBJGPWQBOZ-WMZOPIPTSA-N 2 0 363.506 0.843 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266812303 488732930 /nfs/dbraw/zinc/73/29/30/488732930.db2.gz GHDKMRPSYPJTAO-KRWDZBQOSA-N 2 0 361.490 0.431 20 0 FCADRP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810620 488735049 /nfs/dbraw/zinc/73/50/49/488735049.db2.gz JVNMIGDDIASRIY-DZGCQCFKSA-N 2 0 354.520 0.235 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154063188 488737995 /nfs/dbraw/zinc/73/79/95/488737995.db2.gz SHZHRLIYLZQQEM-AWEZNQCLSA-N 2 0 350.467 0.183 20 0 FCADRP O=C1N[C@]2(CCOC2)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277885493 488791432 /nfs/dbraw/zinc/79/14/32/488791432.db2.gz OXSCCWSECFAVEK-SFHVURJKSA-N 2 0 359.430 0.305 20 0 FCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000168950979 488812780 /nfs/dbraw/zinc/81/27/80/488812780.db2.gz MXYCJHDAKRBYID-KRWDZBQOSA-N 2 0 373.505 0.703 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000570189001 491223121 /nfs/dbraw/zinc/22/31/21/491223121.db2.gz VZWCQQOZUXRUSJ-GDBMZVCRSA-N 2 0 362.474 0.246 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000171658299 488825358 /nfs/dbraw/zinc/82/53/58/488825358.db2.gz PGZHRLQZSXXMOX-IYBDPMFKSA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172292973 488832267 /nfs/dbraw/zinc/83/22/67/488832267.db2.gz XTSDHUFDUHZVTD-OAHLLOKOSA-N 2 0 362.474 0.976 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000173237041 488841800 /nfs/dbraw/zinc/84/18/00/488841800.db2.gz MQYMGNFJGUWOQS-UHFFFAOYSA-N 2 0 364.494 0.620 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175611339 488854578 /nfs/dbraw/zinc/85/45/78/488854578.db2.gz OPFQYXBLPHONIA-ZWKOTPCHSA-N 2 0 368.522 0.707 20 0 FCADRP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176339317 488858221 /nfs/dbraw/zinc/85/82/21/488858221.db2.gz KGHPCKZYVQQGEA-ZWKOTPCHSA-N 2 0 367.538 0.234 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000178648917 488860359 /nfs/dbraw/zinc/86/03/59/488860359.db2.gz AMERXVAPXHQJHH-INIZCTEOSA-N 2 0 353.463 0.547 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000178472806 488860568 /nfs/dbraw/zinc/86/05/68/488860568.db2.gz ISLRIKXHAIDRKX-QGZVFWFLSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@H+]3CC=CCC3)ccn2)CC1 ZINC000280130439 488986110 /nfs/dbraw/zinc/98/61/10/488986110.db2.gz DHUHJOPYASTTRD-UHFFFAOYSA-N 2 0 358.490 0.895 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000288639570 489000465 /nfs/dbraw/zinc/00/04/65/489000465.db2.gz UBESDIDUBHNQQD-UHFFFAOYSA-N 2 0 372.513 0.756 20 0 FCADRP Cc1ccccc1CN1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280703734 489026041 /nfs/dbraw/zinc/02/60/41/489026041.db2.gz IPRNXVLXOZFIRN-FQEVSTJZSA-N 2 0 358.486 0.837 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000289336610 489059864 /nfs/dbraw/zinc/05/98/64/489059864.db2.gz WHBZAKSFIXPJBT-FQEVSTJZSA-N 2 0 371.529 0.554 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322475 489063389 /nfs/dbraw/zinc/06/33/89/489063389.db2.gz AWMIRSFELNIQOA-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365324766 489064201 /nfs/dbraw/zinc/06/42/01/489064201.db2.gz GJMITPFUKCCGOZ-GOSISDBHSA-N 2 0 351.539 0.252 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000570294902 491231405 /nfs/dbraw/zinc/23/14/05/491231405.db2.gz XHUKAWUNKXHERU-VNHYZAJKSA-N 2 0 350.488 0.725 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000289586949 489079318 /nfs/dbraw/zinc/07/93/18/489079318.db2.gz VMGINRHWZMIUEX-OALUTQOASA-N 2 0 372.513 0.960 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCN1CCO ZINC000330304655 489089415 /nfs/dbraw/zinc/08/94/15/489089415.db2.gz KLYZNXUZECAXMB-SFHVURJKSA-N 2 0 360.502 0.724 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289902540 489101211 /nfs/dbraw/zinc/10/12/11/489101211.db2.gz UIRXUHJWSRQZBV-KDOFPFPSSA-N 2 0 366.531 0.937 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000289953415 489105082 /nfs/dbraw/zinc/10/50/82/489105082.db2.gz PGZIWTUMLPLQOL-INIZCTEOSA-N 2 0 351.447 0.566 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365939834 489128115 /nfs/dbraw/zinc/12/81/15/489128115.db2.gz DGTGKWYBRDSESL-UHFFFAOYSA-N 2 0 364.494 0.936 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)[C@@H]2C1 ZINC000290608719 489152468 /nfs/dbraw/zinc/15/24/68/489152468.db2.gz RQYXZQGECSULIW-OWCLPIDISA-N 2 0 357.458 0.329 20 0 FCADRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000282966845 489202455 /nfs/dbraw/zinc/20/24/55/489202455.db2.gz GCSPYFWPKMTFHG-KRWDZBQOSA-N 2 0 366.510 0.189 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331382302 489204141 /nfs/dbraw/zinc/20/41/41/489204141.db2.gz JKEXCFRXAYUBJH-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331386333 489204995 /nfs/dbraw/zinc/20/49/95/489204995.db2.gz IAFQLQAPBZAQHA-PMPSAXMXSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000331431153 489210032 /nfs/dbraw/zinc/21/00/32/489210032.db2.gz AHNSJSYVIRKKOL-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690128 489224889 /nfs/dbraw/zinc/22/48/89/489224889.db2.gz FERKQZXRVYQHEN-PBHICJAKSA-N 2 0 357.458 0.701 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000369469125 489241737 /nfs/dbraw/zinc/24/17/37/489241737.db2.gz QTOFOIAKIJAJSY-QZTJIDSGSA-N 2 0 374.485 0.709 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369484284 489244118 /nfs/dbraw/zinc/24/41/18/489244118.db2.gz XRZHPJOPEZIHHA-HNNXBMFYSA-N 2 0 362.478 0.641 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283328574 489245670 /nfs/dbraw/zinc/24/56/70/489245670.db2.gz GCNXGNXAWJXAAL-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(NCCN1CCSCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332977543 489253124 /nfs/dbraw/zinc/25/31/24/489253124.db2.gz IPPHPEMNKCKQLG-HOTGVXAUSA-N 2 0 356.536 0.712 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@H]21 ZINC000297862559 489253327 /nfs/dbraw/zinc/25/33/27/489253327.db2.gz NDVZOJRHJRJTOA-IAGOWNOFSA-N 2 0 371.485 0.673 20 0 FCADRP C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)NCC[NH+](C)C ZINC000563402572 491242608 /nfs/dbraw/zinc/24/26/08/491242608.db2.gz BBUBLCWWWBFEKG-UKRRQHHQSA-N 2 0 356.536 0.386 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369864960 489284232 /nfs/dbraw/zinc/28/42/32/489284232.db2.gz ZWWPDGSBPNQXMZ-IKGGRYGDSA-N 2 0 354.495 0.602 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000369881668 489286567 /nfs/dbraw/zinc/28/65/67/489286567.db2.gz HTGHBFHKRKXHHO-HOTGVXAUSA-N 2 0 366.506 0.014 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000570512301 491245771 /nfs/dbraw/zinc/24/57/71/491245771.db2.gz IWPRYOQAURSTAX-XLIONFOSSA-N 2 0 362.518 0.827 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000283662109 489287904 /nfs/dbraw/zinc/28/79/04/489287904.db2.gz ZPQJTSLDKVTWQI-GOSISDBHSA-N 2 0 358.486 0.931 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000570512300 491246107 /nfs/dbraw/zinc/24/61/07/491246107.db2.gz IWPRYOQAURSTAX-PXNSSMCTSA-N 2 0 362.518 0.827 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000283716690 489294983 /nfs/dbraw/zinc/29/49/83/489294983.db2.gz KHLXVJQDWIHEIQ-UHFFFAOYSA-N 2 0 352.479 0.936 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563455116 491248730 /nfs/dbraw/zinc/24/87/30/491248730.db2.gz ZQNHBRNIQVMVBQ-INIZCTEOSA-N 2 0 353.511 0.618 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1(C)C ZINC000370250160 489334814 /nfs/dbraw/zinc/33/48/14/489334814.db2.gz GUDYMENPMUXPTB-KRWDZBQOSA-N 2 0 352.523 0.772 20 0 FCADRP COC(=O)[C@H]1CC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286019516 489347405 /nfs/dbraw/zinc/34/74/05/489347405.db2.gz PCYDSTAEDBQQRL-SJORKVTESA-N 2 0 360.458 0.909 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000370735794 489394733 /nfs/dbraw/zinc/39/47/33/489394733.db2.gz ZQSDLFIIGYBBPL-OIISXLGYSA-N 2 0 363.506 0.417 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563532137 491252864 /nfs/dbraw/zinc/25/28/64/491252864.db2.gz IGSCQZKROVDQFS-OWCLPIDISA-N 2 0 354.495 0.108 20 0 FCADRP C[C@]1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000563601627 491257523 /nfs/dbraw/zinc/25/75/23/491257523.db2.gz MFBPHEVTYFHXDG-QAPCUYQASA-N 2 0 351.495 0.230 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000286803522 489431445 /nfs/dbraw/zinc/43/14/45/489431445.db2.gz WQWZGLZVBLBZEE-UHFFFAOYSA-N 2 0 364.490 0.653 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371025710 489439405 /nfs/dbraw/zinc/43/94/05/489439405.db2.gz BDPOXIFZMKRSBF-QZTJIDSGSA-N 2 0 365.522 0.273 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000563617444 491258786 /nfs/dbraw/zinc/25/87/86/491258786.db2.gz DRRPTNAXOUCQED-XWSJACJDSA-N 2 0 356.555 0.320 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000363443109 489467581 /nfs/dbraw/zinc/46/75/81/489467581.db2.gz CBMUGXNXIDMHJV-AEFFLSMTSA-N 2 0 351.539 0.996 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271464 489472482 /nfs/dbraw/zinc/47/24/82/489472482.db2.gz RATUODGLXANQPZ-VQIMIIECSA-N 2 0 362.449 0.702 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371630549 489491352 /nfs/dbraw/zinc/49/13/52/489491352.db2.gz VDETVQMZIYFCOW-OALUTQOASA-N 2 0 358.486 0.259 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423080328 489491846 /nfs/dbraw/zinc/49/18/46/489491846.db2.gz AABUKCBDUBWXMW-QGZVFWFLSA-N 2 0 368.522 0.533 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000423094077 489492471 /nfs/dbraw/zinc/49/24/71/489492471.db2.gz JGKFAQNKDFRBIN-PBHICJAKSA-N 2 0 364.465 0.912 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000423094080 489492920 /nfs/dbraw/zinc/49/29/20/489492920.db2.gz JGKFAQNKDFRBIN-YOEHRIQHSA-N 2 0 364.465 0.912 20 0 FCADRP COC(=O)c1cn(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097068 489492949 /nfs/dbraw/zinc/49/29/49/489492949.db2.gz AEVFUAYGVUFGFS-KBXCAEBGSA-N 2 0 357.414 0.910 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371654536 489493821 /nfs/dbraw/zinc/49/38/21/489493821.db2.gz SNCQYSGKYGJLMP-GOSISDBHSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676695 491257104 /nfs/dbraw/zinc/25/71/04/491257104.db2.gz UZLVNDBRAIXCKZ-SFNKJDCFSA-N 2 0 355.523 0.547 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423135085 489496189 /nfs/dbraw/zinc/49/61/89/489496189.db2.gz SLUUKRAGYMXIJZ-IRXDYDNUSA-N 2 0 352.523 0.881 20 0 FCADRP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423148118 489497013 /nfs/dbraw/zinc/49/70/13/489497013.db2.gz UJMAEKGRSRCNGA-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423158507 489497971 /nfs/dbraw/zinc/49/79/71/489497971.db2.gz CXPUYIYVLFVMFS-QZTJIDSGSA-N 2 0 373.501 0.844 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162991 489498272 /nfs/dbraw/zinc/49/82/72/489498272.db2.gz LZXRPDOBPXPPDD-IRXDYDNUSA-N 2 0 359.474 0.454 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423166998 489498894 /nfs/dbraw/zinc/49/88/94/489498894.db2.gz RRZFEEKMPCYIDR-GOSISDBHSA-N 2 0 373.501 0.844 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423169485 489498962 /nfs/dbraw/zinc/49/89/62/489498962.db2.gz WAFZFZYMSKTBJV-GDBMZVCRSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000423165942 489499136 /nfs/dbraw/zinc/49/91/36/489499136.db2.gz BVVZATPXYMGARM-OAHLLOKOSA-N 2 0 350.463 0.546 20 0 FCADRP COC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c[nH]1 ZINC000414490394 489500463 /nfs/dbraw/zinc/50/04/63/489500463.db2.gz XFVLBZLLPYIEFS-UHFFFAOYSA-N 2 0 350.463 0.688 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423194443 489501450 /nfs/dbraw/zinc/50/14/50/489501450.db2.gz RLVSDKZKLPIONG-KRWDZBQOSA-N 2 0 368.522 0.533 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423204233 489501889 /nfs/dbraw/zinc/50/18/89/489501889.db2.gz DFDUXOBYHBDHQP-NXOAAHMSSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000423199417 489502103 /nfs/dbraw/zinc/50/21/03/489502103.db2.gz BKEOJJRZHBEFGJ-PBHICJAKSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423199401 489502244 /nfs/dbraw/zinc/50/22/44/489502244.db2.gz BHSVJJWPTFNNPO-OAHLLOKOSA-N 2 0 368.428 0.805 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423206618 489502694 /nfs/dbraw/zinc/50/26/94/489502694.db2.gz QQSABFJXHYIFNJ-UHFFFAOYSA-N 2 0 364.465 0.913 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423207125 489502717 /nfs/dbraw/zinc/50/27/17/489502717.db2.gz RBXPAQATIOHNHO-HOTGVXAUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423232021 489505741 /nfs/dbraw/zinc/50/57/41/489505741.db2.gz BSWAMAQSDODFKG-JLJPHGGASA-N 2 0 362.449 0.631 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423233600 489505951 /nfs/dbraw/zinc/50/59/51/489505951.db2.gz DUSUSUHAGNLFGX-GOEBONIOSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000423238972 489506467 /nfs/dbraw/zinc/50/64/67/489506467.db2.gz VRRXTMHUBWOWTI-UHFFFAOYSA-N 2 0 358.486 0.585 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423262179 489508498 /nfs/dbraw/zinc/50/84/98/489508498.db2.gz LXXGFKAIEXGVHQ-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000423300455 489512795 /nfs/dbraw/zinc/51/27/95/489512795.db2.gz DVXBLOOULMMWFU-QLOLRVAOSA-N 2 0 362.518 0.777 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)CC1 ZINC000423302790 489513438 /nfs/dbraw/zinc/51/34/38/489513438.db2.gz KNYWGKIJMHYHPV-SAGYGOJTSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000415371122 489515897 /nfs/dbraw/zinc/51/58/97/489515897.db2.gz RQTOZLHHXGHAQE-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000563633966 491260206 /nfs/dbraw/zinc/26/02/06/491260206.db2.gz BLNQVPNDXDVBCV-NWDGAFQWSA-N 2 0 365.400 0.214 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415424824 489519537 /nfs/dbraw/zinc/51/95/37/489519537.db2.gz BPBGQEOTWOEPLV-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415428325 489520511 /nfs/dbraw/zinc/52/05/11/489520511.db2.gz GWVUTMMNPUAKAB-MRXNPFEDSA-N 2 0 373.501 0.976 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c(OCC[NH+](C)C)c1 ZINC000415431657 489520570 /nfs/dbraw/zinc/52/05/70/489520570.db2.gz DTXRPZKPXLODOI-CQSZACIVSA-N 2 0 350.463 0.973 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[C@@H]1[NH3+] ZINC000415468265 489524000 /nfs/dbraw/zinc/52/40/00/489524000.db2.gz VPEOCUMABSRDFC-QAPCUYQASA-N 2 0 373.501 0.568 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000415508811 489525583 /nfs/dbraw/zinc/52/55/83/489525583.db2.gz GEWFASXWOYXPDC-CQSZACIVSA-N 2 0 361.490 0.786 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371942634 489527054 /nfs/dbraw/zinc/52/70/54/489527054.db2.gz MCDOJCHPRCPOPW-KRWDZBQOSA-N 2 0 355.527 0.375 20 0 FCADRP CN1C(=O)CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000425838092 489532945 /nfs/dbraw/zinc/53/29/45/489532945.db2.gz DGVDEJROXMPPMR-CQSZACIVSA-N 2 0 355.483 0.049 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415582254 489533116 /nfs/dbraw/zinc/53/31/16/489533116.db2.gz UECHGMFDJXAMET-RDJZCZTQSA-N 2 0 373.501 0.568 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000415595519 489533984 /nfs/dbraw/zinc/53/39/84/489533984.db2.gz HIQCUTDILCLPPH-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000425873516 489537019 /nfs/dbraw/zinc/53/70/19/489537019.db2.gz QEQWOKYHBVHUQT-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000415665247 489540067 /nfs/dbraw/zinc/54/00/67/489540067.db2.gz XZBGGBBRDLKSKQ-LBPRGKRZSA-N 2 0 367.881 0.884 20 0 FCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[NH2+]1 ZINC000415703415 489542870 /nfs/dbraw/zinc/54/28/70/489542870.db2.gz FWCYSMSSOBQGDK-LJQANCHMSA-N 2 0 362.474 0.614 20 0 FCADRP O=C(CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH2+]CC1 ZINC000563693412 491263239 /nfs/dbraw/zinc/26/32/39/491263239.db2.gz ZXINUCJQQPXTML-INIZCTEOSA-N 2 0 351.495 0.515 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415753681 489550042 /nfs/dbraw/zinc/55/00/42/489550042.db2.gz YYCZWZMGIXQBNY-GJZGRUSLSA-N 2 0 360.458 0.633 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415758202 489550827 /nfs/dbraw/zinc/55/08/27/489550827.db2.gz HEBWJVJIGACVEA-HNNXBMFYSA-N 2 0 368.441 1.054 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426108339 489555102 /nfs/dbraw/zinc/55/51/02/489555102.db2.gz HNOYVGKXFYEQNR-GFCCVEGCSA-N 2 0 364.412 0.587 20 0 FCADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCN(c2cnccn2)CC1 ZINC000563670361 491262559 /nfs/dbraw/zinc/26/25/59/491262559.db2.gz JFCCTPTXKZJREJ-KRWDZBQOSA-N 2 0 358.490 0.589 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000415828917 489556488 /nfs/dbraw/zinc/55/64/88/489556488.db2.gz GNTOGBDVOHOHBB-QGZVFWFLSA-N 2 0 362.474 0.962 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415850385 489558590 /nfs/dbraw/zinc/55/85/90/489558590.db2.gz GKCZTBWHHUCHOZ-SFHVURJKSA-N 2 0 373.501 0.283 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000454428720 489569847 /nfs/dbraw/zinc/56/98/47/489569847.db2.gz QPIJXAWUDAIKCA-MJGOQNOKSA-N 3 0 372.517 0.939 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CCOC)nn1 ZINC000416148357 489572132 /nfs/dbraw/zinc/57/21/32/489572132.db2.gz TUPJFSMALXCSCO-HNNXBMFYSA-N 2 0 352.483 0.413 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[N@H+]1C ZINC000454642083 489574172 /nfs/dbraw/zinc/57/41/72/489574172.db2.gz FWGASDDJGHTHEY-OWCLPIDISA-N 2 0 353.511 0.663 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702730 491264231 /nfs/dbraw/zinc/26/42/31/491264231.db2.gz LMJMYCGTFDLKGA-CVEARBPZSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399056 489581150 /nfs/dbraw/zinc/58/11/50/489581150.db2.gz ARESXVPGHZAVGT-SJLPKXTDSA-N 2 0 352.523 0.535 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000372458766 489586290 /nfs/dbraw/zinc/58/62/90/489586290.db2.gz UOLZATXLJFOASV-IBGZPJMESA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128035 489595805 /nfs/dbraw/zinc/59/58/05/489595805.db2.gz JFEYXALUJKYFTF-HZPDHXFCSA-N 2 0 374.489 0.831 20 0 FCADRP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000427298218 489601609 /nfs/dbraw/zinc/60/16/09/489601609.db2.gz AJHZICJXQCPMAK-ZFWWWQNUSA-N 2 0 362.478 0.687 20 0 FCADRP CC[NH+]1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416860705 489631781 /nfs/dbraw/zinc/63/17/81/489631781.db2.gz VYDBGYHZHBKQHE-ZDUSSCGKSA-N 2 0 351.417 0.606 20 0 FCADRP COCC1(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC000416966381 489637382 /nfs/dbraw/zinc/63/73/82/489637382.db2.gz YEYBECUCXMNSSR-KRWDZBQOSA-N 2 0 369.554 0.574 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000683084424 493333001 /nfs/dbraw/zinc/33/30/01/493333001.db2.gz DVIOXYHTYRQTCO-ROUUACIJSA-N 2 0 367.538 0.375 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)O1 ZINC000457236730 489641541 /nfs/dbraw/zinc/64/15/41/489641541.db2.gz KWSYGODODYDLMG-OKILXGFUSA-N 2 0 356.511 0.447 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000555729987 491268231 /nfs/dbraw/zinc/26/82/31/491268231.db2.gz BGBLJAYEWOKOJG-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1=CC[NH2+]CC1 ZINC000417399818 489651083 /nfs/dbraw/zinc/65/10/83/489651083.db2.gz ZZOGIZPKBYWIDS-UHFFFAOYSA-N 3 0 358.490 0.813 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417431058 489652331 /nfs/dbraw/zinc/65/23/31/489652331.db2.gz QKHCNZLOJLURAO-HZPDHXFCSA-N 2 0 355.527 0.944 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417429600 489652488 /nfs/dbraw/zinc/65/24/88/489652488.db2.gz NJIZZOTVJLXCSJ-INIZCTEOSA-N 2 0 351.495 0.538 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000417429856 489652612 /nfs/dbraw/zinc/65/26/12/489652612.db2.gz OCFXUZWOTJTOEJ-WBVHZDCISA-N 2 0 351.495 0.417 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CC[NH2+]CC2)c1 ZINC000417459600 489654659 /nfs/dbraw/zinc/65/46/59/489654659.db2.gz NSASLRJWKZLOTJ-UHFFFAOYSA-N 2 0 350.463 0.758 20 0 FCADRP COC[C@@]1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[NH2+]1 ZINC000417518336 489656753 /nfs/dbraw/zinc/65/67/53/489656753.db2.gz KPAVLHPELYFGAF-KRWDZBQOSA-N 2 0 354.495 0.699 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417548607 489658016 /nfs/dbraw/zinc/65/80/16/489658016.db2.gz RCPODZONOXUCDZ-IAGOWNOFSA-N 2 0 361.490 0.920 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000428690195 489660809 /nfs/dbraw/zinc/66/08/09/489660809.db2.gz JQYWNYRRQDOGCC-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417804754 489666020 /nfs/dbraw/zinc/66/60/20/489666020.db2.gz ZLDWMPKITJJHBK-DLBZAZTESA-N 2 0 365.522 0.747 20 0 FCADRP O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417839220 489667904 /nfs/dbraw/zinc/66/79/04/489667904.db2.gz NMOCZETXVBUBPZ-INIZCTEOSA-N 2 0 362.474 0.678 20 0 FCADRP COCC[NH2+]CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417840600 489668131 /nfs/dbraw/zinc/66/81/31/489668131.db2.gz LEEOBRXMDPVIML-UHFFFAOYSA-N 2 0 356.511 0.804 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000373120903 489670327 /nfs/dbraw/zinc/67/03/27/489670327.db2.gz HYPLRQFDMBSERY-BZSNNMDCSA-N 2 0 351.539 0.994 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000373120909 489670774 /nfs/dbraw/zinc/67/07/74/489670774.db2.gz HYPLRQFDMBSERY-SQNIBIBYSA-N 2 0 351.539 0.994 20 0 FCADRP CN1CCO[C@@H]([C@@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956969 489673059 /nfs/dbraw/zinc/67/30/59/489673059.db2.gz TZWSUEBNYPQJBS-CVEARBPZSA-N 2 0 370.881 0.674 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458236021 489674558 /nfs/dbraw/zinc/67/45/58/489674558.db2.gz KBRXAYDDDMYZBR-QGZVFWFLSA-N 2 0 356.511 0.633 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002139 489674775 /nfs/dbraw/zinc/67/47/75/489674775.db2.gz LRGPJIPSPDYWSB-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458326751 489677040 /nfs/dbraw/zinc/67/70/40/489677040.db2.gz BGPBFZKPGHFPBW-QGZVFWFLSA-N 2 0 368.522 0.777 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)CCC(F)(F)F ZINC000418077904 489678131 /nfs/dbraw/zinc/67/81/31/489678131.db2.gz MVKIOPPOYOGFNY-AWEZNQCLSA-N 2 0 365.444 0.950 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448337 489684152 /nfs/dbraw/zinc/68/41/52/489684152.db2.gz XTYFKDQGVSEHDB-VQIMIIECSA-N 2 0 365.522 0.701 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000418273419 489686787 /nfs/dbraw/zinc/68/67/87/489686787.db2.gz XCGARBPPZLOGRJ-MRXNPFEDSA-N 2 0 353.511 0.890 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418294125 489689118 /nfs/dbraw/zinc/68/91/18/489689118.db2.gz GAHZAHMYDNTAGM-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000418297521 489689306 /nfs/dbraw/zinc/68/93/06/489689306.db2.gz LBHHVUJQQSJYCY-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000458593010 489691067 /nfs/dbraw/zinc/69/10/67/489691067.db2.gz MAJUQHZHCTZHAT-IYBDPMFKSA-N 2 0 355.527 0.109 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000418372246 489694295 /nfs/dbraw/zinc/69/42/95/489694295.db2.gz YKTRTJJWSGSGDP-KRWDZBQOSA-N 2 0 365.522 0.844 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418408812 489696671 /nfs/dbraw/zinc/69/66/71/489696671.db2.gz NCNIKQYXHBQXPP-QAETUUGQSA-N 2 0 365.522 0.794 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418422962 489697502 /nfs/dbraw/zinc/69/75/02/489697502.db2.gz BPNDACLFFRHLHN-BZUAXINKSA-N 2 0 353.511 0.650 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155227 489697825 /nfs/dbraw/zinc/69/78/25/489697825.db2.gz ZJSUZQPHOPUOEF-MAUKXSAKSA-N 2 0 351.495 0.311 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000418559152 489707224 /nfs/dbraw/zinc/70/72/24/489707224.db2.gz PMDFBNBBWGHDKL-BPQIPLTHSA-N 2 0 361.490 0.344 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000418567920 489707611 /nfs/dbraw/zinc/70/76/11/489707611.db2.gz XCTGOTWHJCRDKY-LNLFQRSKSA-N 2 0 364.490 0.753 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418565772 489708037 /nfs/dbraw/zinc/70/80/37/489708037.db2.gz LXNAIDXAGIQPKQ-DLBZAZTESA-N 2 0 360.506 0.972 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611500 489710062 /nfs/dbraw/zinc/71/00/62/489710062.db2.gz HQJCIHWLNMBQKE-KBPBESRZSA-N 2 0 365.444 0.948 20 0 FCADRP COCCN(CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCO[C@@H]1C ZINC000489406557 489710150 /nfs/dbraw/zinc/71/01/50/489710150.db2.gz QBRCVTMNNZVDRU-CVEARBPZSA-N 2 0 357.495 0.339 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418610844 489710580 /nfs/dbraw/zinc/71/05/80/489710580.db2.gz HBUCYHGTHUZMHJ-CYBMUJFWSA-N 2 0 351.417 0.560 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418628767 489712485 /nfs/dbraw/zinc/71/24/85/489712485.db2.gz CRMRAQVLDLZQOD-SJORKVTESA-N 2 0 359.474 0.512 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418660017 489716337 /nfs/dbraw/zinc/71/63/37/489716337.db2.gz WRLFDAXVVRCHGB-SJLPKXTDSA-N 2 0 356.511 0.897 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC[NH2+]1 ZINC000418655159 489716606 /nfs/dbraw/zinc/71/66/06/489716606.db2.gz NCPGVNKWOUZSDB-GOSISDBHSA-N 2 0 356.511 0.897 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418690867 489718119 /nfs/dbraw/zinc/71/81/19/489718119.db2.gz XKLXFYPZWWYTNL-BZUAXINKSA-N 2 0 353.511 0.781 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686642 489718192 /nfs/dbraw/zinc/71/81/92/489718192.db2.gz PJKXPQZVDUVQRK-GVDBMIGSSA-N 2 0 359.474 0.381 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125996 489719536 /nfs/dbraw/zinc/71/95/36/489719536.db2.gz YKUBDBCJQHIPSX-ARFHVFGLSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000470055751 489722549 /nfs/dbraw/zinc/72/25/49/489722549.db2.gz KDUCGIDGSLECAA-INIZCTEOSA-N 2 0 361.490 0.362 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789947 489727440 /nfs/dbraw/zinc/72/74/40/489727440.db2.gz MHMKNKLBSOWJMS-DLBZAZTESA-N 3 0 355.527 0.422 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000418793840 489728685 /nfs/dbraw/zinc/72/86/85/489728685.db2.gz AQXAJOKYYLEXJU-MRXNPFEDSA-N 2 0 366.506 0.239 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000418819684 489737163 /nfs/dbraw/zinc/73/71/63/489737163.db2.gz KDTVOJPPXZMGNT-GJZGRUSLSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459539819 489738219 /nfs/dbraw/zinc/73/82/19/489738219.db2.gz QCVFLVQTUVAHGC-DOTOQJQBSA-N 2 0 354.520 0.883 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCC1 ZINC000418823947 489740357 /nfs/dbraw/zinc/74/03/57/489740357.db2.gz ADAISNGBCJXXCU-ARFHVFGLSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418825608 489741529 /nfs/dbraw/zinc/74/15/29/489741529.db2.gz AHKHFEJZWJTKLJ-MRXNPFEDSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418826699 489741626 /nfs/dbraw/zinc/74/16/26/489741626.db2.gz GIDQZKQGWMDHPI-RDBSUJKOSA-N 2 0 352.504 0.910 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000418826559 489741722 /nfs/dbraw/zinc/74/17/22/489741722.db2.gz GDSVPXKYHUTAAK-CQSZACIVSA-N 2 0 352.504 0.925 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000418839664 489750118 /nfs/dbraw/zinc/75/01/18/489750118.db2.gz DHLBAGBRWRUURE-YDZRNGNQSA-N 2 0 370.497 0.963 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000418840900 489751416 /nfs/dbraw/zinc/75/14/16/489751416.db2.gz YKSPYWSETLEFHX-SJLPKXTDSA-N 2 0 374.485 0.898 20 0 FCADRP CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000570962230 491276645 /nfs/dbraw/zinc/27/66/45/491276645.db2.gz OPPRZANERFUIHY-OAHLLOKOSA-N 2 0 353.488 0.513 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]1CCCC1 ZINC000418847528 489754147 /nfs/dbraw/zinc/75/41/47/489754147.db2.gz JLUWUANGXACOHB-MRXNPFEDSA-N 2 0 362.474 0.803 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(F)cc1 ZINC000430616771 489755135 /nfs/dbraw/zinc/75/51/35/489755135.db2.gz HPGATUZOUWAQLH-INIZCTEOSA-N 2 0 362.449 0.586 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000418848998 489755340 /nfs/dbraw/zinc/75/53/40/489755340.db2.gz MFYQJYKUXLZIPS-SJORKVTESA-N 2 0 374.485 0.802 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000418849169 489755739 /nfs/dbraw/zinc/75/57/39/489755739.db2.gz CSAVKTXJIAGBHJ-SJLPKXTDSA-N 2 0 374.485 0.898 20 0 FCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430622865 489755827 /nfs/dbraw/zinc/75/58/27/489755827.db2.gz MIOOEVXQHZXEMA-ZDUSSCGKSA-N 2 0 354.476 0.594 20 0 FCADRP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430624959 489757163 /nfs/dbraw/zinc/75/71/63/489757163.db2.gz JPVXGATYFNCYQC-MRXNPFEDSA-N 2 0 362.474 0.488 20 0 FCADRP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626717 489757275 /nfs/dbraw/zinc/75/72/75/489757275.db2.gz MGHZJRWQMNTLPP-QLFBSQMISA-N 2 0 367.494 0.178 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430632231 489759171 /nfs/dbraw/zinc/75/91/71/489759171.db2.gz WXONEXIAJSHOSB-UHFFFAOYSA-N 2 0 368.503 0.054 20 0 FCADRP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430640809 489761078 /nfs/dbraw/zinc/76/10/78/489761078.db2.gz HZGYMVFKBGRLPB-LSDHHAIUSA-N 2 0 362.474 0.659 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)[NH+](C)C)c1 ZINC000418861466 489762447 /nfs/dbraw/zinc/76/24/47/489762447.db2.gz MXRUYXJBXARVAE-QGZVFWFLSA-N 2 0 362.474 0.611 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418862339 489763569 /nfs/dbraw/zinc/76/35/69/489763569.db2.gz ODBFDUXFRGZVRL-FGTMMUONSA-N 2 0 356.470 0.730 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863670 489763588 /nfs/dbraw/zinc/76/35/88/489763588.db2.gz BSKTVWOOLJJVFL-HZPDHXFCSA-N 2 0 368.522 0.498 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418861928 489763987 /nfs/dbraw/zinc/76/39/87/489763987.db2.gz NUYLVBQPISTNIL-IRXDYDNUSA-N 2 0 362.474 0.154 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)[NH+](C)C)c1 ZINC000418870257 489767681 /nfs/dbraw/zinc/76/76/81/489767681.db2.gz YDVJDRZMAZSGHX-XYPHTWIQSA-N 2 0 362.474 0.610 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418877015 489770657 /nfs/dbraw/zinc/77/06/57/489770657.db2.gz NSSOWUFMMGEVND-KRWDZBQOSA-N 2 0 362.474 0.626 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000376661890 489771376 /nfs/dbraw/zinc/77/13/76/489771376.db2.gz YGVGSBHYTFTAFY-HMQMGEFJSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000430934664 489779619 /nfs/dbraw/zinc/77/96/19/489779619.db2.gz QFMRHEKIDGMUMG-OAHLLOKOSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000459891308 489782839 /nfs/dbraw/zinc/78/28/39/489782839.db2.gz BBJJZYCOHJSNQN-HZPDHXFCSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000431004142 489784392 /nfs/dbraw/zinc/78/43/92/489784392.db2.gz IDPXGAFBHYJEBO-ZWKOTPCHSA-N 2 0 368.522 0.008 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C[C@@H]21 ZINC000459905000 489786974 /nfs/dbraw/zinc/78/69/74/489786974.db2.gz MLQBRTNSGJAWJA-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)([NH+](C)C)C1 ZINC000418921297 489792311 /nfs/dbraw/zinc/79/23/11/489792311.db2.gz JBTQPLVNSXCDRP-RVKKMQEKSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000459918895 489792926 /nfs/dbraw/zinc/79/29/26/489792926.db2.gz JNQHPIJQUZOHPJ-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000459925779 489796400 /nfs/dbraw/zinc/79/64/00/489796400.db2.gz UODQIYKNFZGNBF-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418937177 489796547 /nfs/dbraw/zinc/79/65/47/489796547.db2.gz FRFCJBMAUJOMJY-GOEBONIOSA-N 2 0 362.474 0.464 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccco1 ZINC000418941364 489798328 /nfs/dbraw/zinc/79/83/28/489798328.db2.gz KHNJQNYOFGZXEO-QLFBSQMISA-N 2 0 350.463 0.988 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418942234 489798581 /nfs/dbraw/zinc/79/85/81/489798581.db2.gz ASEKDJQJENSZHO-OSMBCOQSSA-N 2 0 362.449 0.678 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000418946855 489800471 /nfs/dbraw/zinc/80/04/71/489800471.db2.gz OXNJFCONNKATQV-RRQGHBQHSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000555885446 491279529 /nfs/dbraw/zinc/27/95/29/491279529.db2.gz GEHVMMZGJSCVJE-HUUCEWRRSA-N 2 0 366.506 0.345 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418950144 489801817 /nfs/dbraw/zinc/80/18/17/489801817.db2.gz VTFGAOPIHCKIKU-KZNAEPCWSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000418954175 489803548 /nfs/dbraw/zinc/80/35/48/489803548.db2.gz WCHCMXMXVWZJGG-OXJNMPFZSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1F ZINC000418960945 489805851 /nfs/dbraw/zinc/80/58/51/489805851.db2.gz JIJUNBPQWDSILR-GOEBONIOSA-N 2 0 362.449 0.571 20 0 FCADRP C[C@@H]1[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[N@@H+]1C ZINC000431459615 489805993 /nfs/dbraw/zinc/80/59/93/489805993.db2.gz OOQGTEJTKQBDNM-HZPDHXFCSA-N 2 0 353.511 0.761 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419000001 489813392 /nfs/dbraw/zinc/81/33/92/489813392.db2.gz JURKXXVJIUAYRR-RTBURBONSA-N 2 0 370.497 0.967 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000418999064 489813546 /nfs/dbraw/zinc/81/35/46/489813546.db2.gz NADJZVISBRPTJJ-ULQDDVLXSA-N 2 0 350.507 0.810 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419000400 489814575 /nfs/dbraw/zinc/81/45/75/489814575.db2.gz OHXOTGWVLLEQMT-HZPDHXFCSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017984 489819407 /nfs/dbraw/zinc/81/94/07/489819407.db2.gz BHSZMFPBYBNCPS-OAGGEKHMSA-N 2 0 350.507 0.895 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419023158 489821557 /nfs/dbraw/zinc/82/15/57/489821557.db2.gz JFJVFYPTBLZTRB-DMRKSPOLSA-N 2 0 352.523 0.973 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000563978973 491281196 /nfs/dbraw/zinc/28/11/96/491281196.db2.gz QDQYBRDJJGLIJX-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419024768 489822382 /nfs/dbraw/zinc/82/23/82/489822382.db2.gz LANVJDDPBJQJSA-DRRXZNNHSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419024771 489822621 /nfs/dbraw/zinc/82/26/21/489822621.db2.gz LANVJDDPBJQJSA-JSRQGNBESA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419023948 489822658 /nfs/dbraw/zinc/82/26/58/489822658.db2.gz KMIDDWJGBBIBSF-YPLQCARHSA-N 2 0 364.534 0.973 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC1 ZINC000431917292 489823057 /nfs/dbraw/zinc/82/30/57/489823057.db2.gz VIFANSRXUPHORI-UHFFFAOYSA-N 2 0 353.511 0.762 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)[C@H](C)C1 ZINC000419034753 489827158 /nfs/dbraw/zinc/82/71/58/489827158.db2.gz DWBMIXXDNYCRES-IKGGRYGDSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)[C@@H](C)C1 ZINC000419034751 489827595 /nfs/dbraw/zinc/82/75/95/489827595.db2.gz DWBMIXXDNYCRES-BBWFWOEESA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000419033943 489827798 /nfs/dbraw/zinc/82/77/98/489827798.db2.gz MBZKTCFGBYPULX-OAHLLOKOSA-N 2 0 368.547 0.675 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419036237 489828589 /nfs/dbraw/zinc/82/85/89/489828589.db2.gz BFQIMOUDVRGSEU-HUUCEWRRSA-N 2 0 354.495 0.201 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1 ZINC000419039634 489830541 /nfs/dbraw/zinc/83/05/41/489830541.db2.gz VRGOPLLJLXYXFB-UHFFFAOYSA-N 2 0 368.547 0.852 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419047652 489834163 /nfs/dbraw/zinc/83/41/63/489834163.db2.gz UALJTDDKPILIFW-KBAYOESNSA-N 2 0 374.485 0.433 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C[C@H]1[NH+](C)C ZINC000460064966 489840033 /nfs/dbraw/zinc/84/00/33/489840033.db2.gz XLKCQZRYIZSZLA-BFYDXBDKSA-N 2 0 366.506 0.107 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069168 489843892 /nfs/dbraw/zinc/84/38/92/489843892.db2.gz GBXUQUYREMOEPQ-RDJZCZTQSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000419076179 489847759 /nfs/dbraw/zinc/84/77/59/489847759.db2.gz NUIFNBMPHPGANW-XJKCOSOUSA-N 2 0 373.432 0.974 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419080888 489849371 /nfs/dbraw/zinc/84/93/71/489849371.db2.gz QMWKTKZWIARYBR-QBPKDAKJSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419081864 489849578 /nfs/dbraw/zinc/84/95/78/489849578.db2.gz ZBYJCOKMUJTNLZ-MRXNPFEDSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419103975 489855632 /nfs/dbraw/zinc/85/56/32/489855632.db2.gz GUVCAWCVPGHYCX-NJAFHUGGSA-N 2 0 358.486 0.691 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000555923138 491283497 /nfs/dbraw/zinc/28/34/97/491283497.db2.gz ZCEOUNZTUXEFHJ-IAGOWNOFSA-N 2 0 369.554 0.221 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000419110360 489858941 /nfs/dbraw/zinc/85/89/41/489858941.db2.gz NUFWADQZFMOTLN-OLZOCXBDSA-N 2 0 350.438 0.712 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1F ZINC000419111964 489859953 /nfs/dbraw/zinc/85/99/53/489859953.db2.gz PHRKAPOXRSSEDQ-GDBMZVCRSA-N 2 0 362.449 0.571 20 0 FCADRP CSC1(CNC(=O)NCC2CC[NH+](CCO)CC2)CC[NH+](C)CC1 ZINC000460276070 489861604 /nfs/dbraw/zinc/86/16/04/489861604.db2.gz WSPUXOJFQBSYLV-UHFFFAOYSA-N 2 0 358.552 0.817 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000419119519 489864147 /nfs/dbraw/zinc/86/41/47/489864147.db2.gz YFUQBSWAGFDVMK-AWEZNQCLSA-N 2 0 372.391 0.856 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000476044891 489864767 /nfs/dbraw/zinc/86/47/67/489864767.db2.gz YCLLFEIETOXZLZ-QGZVFWFLSA-N 2 0 355.527 0.421 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCCCC1 ZINC000419121915 489866009 /nfs/dbraw/zinc/86/60/09/489866009.db2.gz FIUBETCURIFFNX-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000460471298 489867009 /nfs/dbraw/zinc/86/70/09/489867009.db2.gz UKLJWVSYBZSJAN-KRWDZBQOSA-N 2 0 359.584 0.949 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)[C@H](C[NH3+])C1 ZINC000419123044 489867070 /nfs/dbraw/zinc/86/70/70/489867070.db2.gz OUWLTDWGQWUZJW-HRCADAONSA-N 2 0 354.495 0.332 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000433124932 489867805 /nfs/dbraw/zinc/86/78/05/489867805.db2.gz GZZBNUSQPPNLJT-INIZCTEOSA-N 2 0 352.479 0.040 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@H]2CCCSC2)C1 ZINC000433206820 489871511 /nfs/dbraw/zinc/87/15/11/489871511.db2.gz IMLDODVADLGZIP-DLBZAZTESA-N 2 0 373.563 0.649 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206829 489872527 /nfs/dbraw/zinc/87/25/27/489872527.db2.gz IMLDODVADLGZIP-SJORKVTESA-N 2 0 373.563 0.649 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000494192837 489874189 /nfs/dbraw/zinc/87/41/89/489874189.db2.gz UJRPLHDLXXKAKY-HOTGVXAUSA-N 2 0 364.494 0.944 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419998509 489876572 /nfs/dbraw/zinc/87/65/72/489876572.db2.gz QRUKJSDOCHMNJU-GFCCVEGCSA-N 2 0 356.417 0.709 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420001102 489877759 /nfs/dbraw/zinc/87/77/59/489877759.db2.gz QWLIPCVKUGGDCJ-INIZCTEOSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000419999658 489877812 /nfs/dbraw/zinc/87/78/12/489877812.db2.gz OOZOTUPSEAHSNY-MRXNPFEDSA-N 2 0 352.454 0.815 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420027647 489885034 /nfs/dbraw/zinc/88/50/34/489885034.db2.gz DAXKXFSEABFWPP-HUUCEWRRSA-N 2 0 356.511 0.796 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000433458757 489886153 /nfs/dbraw/zinc/88/61/53/489886153.db2.gz UXJMUPXBTGZDNW-DLBZAZTESA-N 2 0 370.538 0.974 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433516126 489889771 /nfs/dbraw/zinc/88/97/71/489889771.db2.gz NEPVIWXUNRNIFO-OAHLLOKOSA-N 2 0 352.483 1.067 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)CC1 ZINC000420063845 489899848 /nfs/dbraw/zinc/89/98/48/489899848.db2.gz NXVCUPKOUHFZSV-RDJZCZTQSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064848 489900470 /nfs/dbraw/zinc/90/04/70/489900470.db2.gz OYHFQPWENXRXNK-GOEBONIOSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070092 489902391 /nfs/dbraw/zinc/90/23/91/489902391.db2.gz JEQMWEDZHYVADI-WMLDXEAASA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000461381444 489907469 /nfs/dbraw/zinc/90/74/69/489907469.db2.gz NLCFJMNIPIUKPG-WOJBJXKFSA-N 2 0 364.486 0.853 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420099913 489912020 /nfs/dbraw/zinc/91/20/20/489912020.db2.gz ZDRXGTGAZZVXPZ-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420100517 489912212 /nfs/dbraw/zinc/91/22/12/489912212.db2.gz KPLKIWQBVZDLMX-GOSISDBHSA-N 2 0 356.470 0.993 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000377513198 489912848 /nfs/dbraw/zinc/91/28/48/489912848.db2.gz SHOCLLYCPZXYDL-SFHVURJKSA-N 2 0 366.550 0.973 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420112620 489916575 /nfs/dbraw/zinc/91/65/75/489916575.db2.gz XQBQFRXIXQZWOF-RKVPGOIHSA-N 2 0 354.495 0.108 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420119325 489919007 /nfs/dbraw/zinc/91/90/07/489919007.db2.gz JNZUJPMIVDIASE-HZPDHXFCSA-N 2 0 354.495 0.191 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000420129287 489923052 /nfs/dbraw/zinc/92/30/52/489923052.db2.gz WPYRSBIUSPRRFO-SJLPKXTDSA-N 2 0 360.502 0.999 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420132136 489923675 /nfs/dbraw/zinc/92/36/75/489923675.db2.gz AHSSXJMDDACXGV-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141420 489928255 /nfs/dbraw/zinc/92/82/55/489928255.db2.gz ZITDPQQBUFIBGV-KANFNMMFSA-N 2 0 370.497 0.834 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000420141246 489928304 /nfs/dbraw/zinc/92/83/04/489928304.db2.gz ZBSPHNOFSFWSLL-DZGCQCFKSA-N 2 0 350.463 0.735 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420147827 489931150 /nfs/dbraw/zinc/93/11/50/489931150.db2.gz SWMVLVPBWIPCKC-WBVHZDCISA-N 2 0 368.522 0.450 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420151639 489932352 /nfs/dbraw/zinc/93/23/52/489932352.db2.gz YOQPDZYPEGUDGW-INIZCTEOSA-N 2 0 354.495 0.191 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC000495314774 489934762 /nfs/dbraw/zinc/93/47/62/489934762.db2.gz NZZVMGNTSUDNAW-CQSZACIVSA-N 2 0 360.449 0.667 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)CC2)N1 ZINC000564117763 491289371 /nfs/dbraw/zinc/28/93/71/491289371.db2.gz MNMMDVWBKDDPHD-OHTSDLOESA-N 2 0 372.469 0.864 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000477075621 489939784 /nfs/dbraw/zinc/93/97/84/489939784.db2.gz ZJDJXLLYPRKSMI-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000420183578 489944519 /nfs/dbraw/zinc/94/45/19/489944519.db2.gz HNFBENCQIGTRHY-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1cccc(F)c1 ZINC000420187387 489945289 /nfs/dbraw/zinc/94/52/89/489945289.db2.gz DHOZNTWGAOFHOY-APHBMKBZSA-N 2 0 350.438 0.788 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000420188194 489946195 /nfs/dbraw/zinc/94/61/95/489946195.db2.gz CLANSDGSCFBPKV-IRXDYDNUSA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420190730 489946648 /nfs/dbraw/zinc/94/66/48/489946648.db2.gz HFVZSZAEUWAMBK-GDBMZVCRSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@H]1C[C@H](O)CN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420202805 489950281 /nfs/dbraw/zinc/95/02/81/489950281.db2.gz JWDMSBQJCMSJEW-RDJZCZTQSA-N 2 0 374.485 0.078 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)C1 ZINC000420204044 489951426 /nfs/dbraw/zinc/95/14/26/489951426.db2.gz OJIHJCUERBSNBS-HUUCEWRRSA-N 2 0 364.515 0.678 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420206601 489952541 /nfs/dbraw/zinc/95/25/41/489952541.db2.gz SPIDWLBDECWUHB-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420221651 489955514 /nfs/dbraw/zinc/95/55/14/489955514.db2.gz ZNTVTKBTGNUJHK-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@@H]1CN(CC(=O)NC(=O)NC2CCCCC2)CC12CCOCC2 ZINC000420319523 489962308 /nfs/dbraw/zinc/96/23/08/489962308.db2.gz AKGMOCHQRZBUFL-CQSZACIVSA-N 2 0 352.479 0.832 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335480 489964868 /nfs/dbraw/zinc/96/48/68/489964868.db2.gz VARKIGSUCHJCBR-BBWFWOEESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377843275 489967220 /nfs/dbraw/zinc/96/72/20/489967220.db2.gz HLUOTGUYWGSXAL-QGZVFWFLSA-N 2 0 352.523 0.774 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374204 489968886 /nfs/dbraw/zinc/96/88/86/489968886.db2.gz HCHKWUHRHQGDLX-DUVNUKRYSA-N 2 0 356.467 0.065 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(O)(C[NH3+])CC3)CC2)cc1 ZINC000420402011 489971268 /nfs/dbraw/zinc/97/12/68/489971268.db2.gz HSIXRYSDQGOVLZ-UHFFFAOYSA-N 2 0 374.529 0.815 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886448 489972454 /nfs/dbraw/zinc/97/24/54/489972454.db2.gz CBUGQWFAQJEJDF-GJZGRUSLSA-N 2 0 362.526 0.681 20 0 FCADRP CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000420422567 489974152 /nfs/dbraw/zinc/97/41/52/489974152.db2.gz QBCKCUPPDCNOET-HNNXBMFYSA-N 2 0 357.524 0.824 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420441493 489977421 /nfs/dbraw/zinc/97/74/21/489977421.db2.gz VXDZMBXNIHLTSB-MRXNPFEDSA-N 2 0 357.524 0.730 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000477617027 489977533 /nfs/dbraw/zinc/97/75/33/489977533.db2.gz QAYIUUJOLZDDAR-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP COC[C@@H](C)S(=O)(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000420468684 489981917 /nfs/dbraw/zinc/98/19/17/489981917.db2.gz HAQLTEIYOWEIAO-OAHLLOKOSA-N 2 0 355.504 0.934 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000377931441 489982121 /nfs/dbraw/zinc/98/21/21/489982121.db2.gz JGKBXAFQVZFIFM-KZNAEPCWSA-N 2 0 368.522 0.992 20 0 FCADRP CNc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420643929 490004079 /nfs/dbraw/zinc/00/40/79/490004079.db2.gz XYXOQQBGOBYZJE-HUUCEWRRSA-N 2 0 362.526 0.396 20 0 FCADRP CC(C)[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000436487940 490007075 /nfs/dbraw/zinc/00/70/75/490007075.db2.gz LWOXTCJCEAEHJQ-INIZCTEOSA-N 2 0 365.526 0.838 20 0 FCADRP NC(=O)CC1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000420777499 490022188 /nfs/dbraw/zinc/02/21/88/490022188.db2.gz HJCCVIGNQKOXCX-UHFFFAOYSA-N 2 0 374.489 0.549 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420801335 490023223 /nfs/dbraw/zinc/02/32/23/490023223.db2.gz KHHDBSMAQMNVLP-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC000378314885 490047673 /nfs/dbraw/zinc/04/76/73/490047673.db2.gz LPVVQKWDAYSQTB-LJQANCHMSA-N 2 0 357.502 0.762 20 0 FCADRP C[C@H]1C[NH+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@@H](C)[C@H](C)C3)CC2)C[C@@H]1C ZINC000464828885 490071456 /nfs/dbraw/zinc/07/14/56/490071456.db2.gz DRRWVBXBLFEDMT-BALXVJCKSA-N 2 0 364.534 0.833 20 0 FCADRP [NH3+]C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000479183466 490071846 /nfs/dbraw/zinc/07/18/46/490071846.db2.gz JAOIOGLEJXSLHT-QGZVFWFLSA-N 2 0 362.449 0.635 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202474 490072864 /nfs/dbraw/zinc/07/28/64/490072864.db2.gz QMJSEAFCDAZVRE-GDBMZVCRSA-N 2 0 350.438 0.572 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479201604 490072913 /nfs/dbraw/zinc/07/29/13/490072913.db2.gz ISCWKVCHMTVVPL-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP [NH3+]C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000479206669 490074025 /nfs/dbraw/zinc/07/40/25/490074025.db2.gz PUUVGQQVIRMRJC-QGZVFWFLSA-N 2 0 362.449 0.635 20 0 FCADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000519764848 490080503 /nfs/dbraw/zinc/08/05/03/490080503.db2.gz CUCHGPTYKNVTTC-MSOLQXFVSA-N 2 0 370.501 0.786 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000571288729 491298374 /nfs/dbraw/zinc/29/83/74/491298374.db2.gz DBZCKNVKISSTKY-HNNXBMFYSA-N 2 0 364.494 0.068 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506396458 490085348 /nfs/dbraw/zinc/08/53/48/490085348.db2.gz CFJIYPIIRBLODS-INIZCTEOSA-N 2 0 372.513 0.754 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000495659693 490086058 /nfs/dbraw/zinc/08/60/58/490086058.db2.gz XYDYPEAXQMRZLU-UHFFFAOYSA-N 2 0 353.426 0.751 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000519819818 490090931 /nfs/dbraw/zinc/09/09/31/490090931.db2.gz NJIQLQQGPLDVEI-FUHWJXTLSA-N 2 0 356.470 0.669 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000564290482 491298445 /nfs/dbraw/zinc/29/84/45/491298445.db2.gz JAEAKSJAHXPTPJ-XHSDSOJGSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000545199461 490096970 /nfs/dbraw/zinc/09/69/70/490096970.db2.gz RLEJETLAXDSLGC-ZDUSSCGKSA-N 2 0 354.476 0.417 20 0 FCADRP C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519096 490099541 /nfs/dbraw/zinc/09/95/41/490099541.db2.gz SMFQYRURQGRJGR-KGLIPLIRSA-N 2 0 370.519 0.831 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000421724451 490099514 /nfs/dbraw/zinc/09/95/14/490099514.db2.gz BSKBLUXVTYCIDJ-YOEHRIQHSA-N 2 0 356.536 0.481 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000421704838 490099971 /nfs/dbraw/zinc/09/99/71/490099971.db2.gz PXINFNCKIUFQGD-IYBDPMFKSA-N 2 0 370.563 0.825 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000421792063 490105445 /nfs/dbraw/zinc/10/54/45/490105445.db2.gz MKQLQKQZBZQNJM-QGZVFWFLSA-N 2 0 350.507 0.918 20 0 FCADRP CCc1nncn1CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000545260336 490106434 /nfs/dbraw/zinc/10/64/34/490106434.db2.gz UDVSGCFMOPRVNG-INIZCTEOSA-N 2 0 365.526 0.898 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000520242859 490122211 /nfs/dbraw/zinc/12/22/11/490122211.db2.gz HTKWUMQPOANDJO-QGZVFWFLSA-N 2 0 356.511 0.491 20 0 FCADRP COc1nc(NCC2([NH+](C)C)CCC2)nc(NCC2([NH+](C)C)CCC2)n1 ZINC000445601102 490140932 /nfs/dbraw/zinc/14/09/32/490140932.db2.gz PTVMNDOPXILHFR-UHFFFAOYSA-N 2 0 363.510 0.516 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000520384987 490141117 /nfs/dbraw/zinc/14/11/17/490141117.db2.gz JBWGBEPXONGNNF-GJZGRUSLSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206283 491302981 /nfs/dbraw/zinc/30/29/81/491302981.db2.gz KPVHDOFIVGXRDC-YOEHRIQHSA-N 2 0 356.536 0.531 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206673 491303089 /nfs/dbraw/zinc/30/30/89/491303089.db2.gz MMWDZTNIHAESQE-QGZVFWFLSA-N 2 0 356.536 0.340 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354137 491303110 /nfs/dbraw/zinc/30/31/10/491303110.db2.gz DPBPJQUZNLPJDH-HOTGVXAUSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000556209123 491303604 /nfs/dbraw/zinc/30/36/04/491303604.db2.gz VPOZWHPAXKHBQE-YJBOKZPZSA-N 2 0 370.563 0.777 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)n1 ZINC000446662607 490161724 /nfs/dbraw/zinc/16/17/24/490161724.db2.gz WBJOZTQVAHQRMR-UHFFFAOYSA-N 2 0 358.446 1.084 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000422126698 490177767 /nfs/dbraw/zinc/17/77/67/490177767.db2.gz XAJNSMJGACKGCZ-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564431191 491306390 /nfs/dbraw/zinc/30/63/90/491306390.db2.gz VFAYTQZASQOXCW-SFHVURJKSA-N 2 0 373.501 0.724 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000571428363 491307306 /nfs/dbraw/zinc/30/73/06/491307306.db2.gz IBRKCMHRNWRQCF-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000521007283 490213391 /nfs/dbraw/zinc/21/33/91/490213391.db2.gz RUMHPFIYCGLQPA-IBGZPJMESA-N 2 0 359.518 0.980 20 0 FCADRP CCc1noc2ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc12 ZINC000546545560 490218221 /nfs/dbraw/zinc/21/82/21/490218221.db2.gz WJXZXYUGYQXDOJ-UHFFFAOYSA-N 2 0 369.491 0.899 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCOC ZINC000521059732 490219979 /nfs/dbraw/zinc/21/99/79/490219979.db2.gz HJUYGJAGBWORCR-OAHLLOKOSA-N 2 0 350.529 0.157 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425437 490221947 /nfs/dbraw/zinc/22/19/47/490221947.db2.gz BOSFBGXLJZWGTA-HZPDHXFCSA-N 2 0 353.511 0.605 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466909464 490224292 /nfs/dbraw/zinc/22/42/92/490224292.db2.gz KKIKDQAHZRDHJA-UHFFFAOYSA-N 2 0 355.479 0.585 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422299394 490241471 /nfs/dbraw/zinc/24/14/71/490241471.db2.gz TYPKJSUDIJDKSE-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP COC(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000521426882 490260354 /nfs/dbraw/zinc/26/03/54/490260354.db2.gz SEAMHFLIXWYHJR-OAHLLOKOSA-N 2 0 351.447 0.180 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363915 491312444 /nfs/dbraw/zinc/31/24/44/491312444.db2.gz PFEXHRSEBZDBNB-WCXIOVBPSA-N 2 0 350.507 0.966 20 0 FCADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000498220566 490274456 /nfs/dbraw/zinc/27/44/56/490274456.db2.gz ZGTRMXVJQZMHFB-MRXNPFEDSA-N 2 0 359.536 0.863 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422374010 490286132 /nfs/dbraw/zinc/28/61/32/490286132.db2.gz CEEMCSMASCWNIE-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000422379270 490287991 /nfs/dbraw/zinc/28/79/91/490287991.db2.gz NUCMJYAYDSDULH-IRXDYDNUSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000571568059 491316648 /nfs/dbraw/zinc/31/66/48/491316648.db2.gz JGOOWAZCEJERKQ-SFHVURJKSA-N 2 0 372.517 0.837 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000571590479 491317624 /nfs/dbraw/zinc/31/76/24/491317624.db2.gz ZDVCGUYUIWIMAP-UHFFFAOYSA-N 2 0 368.522 0.596 20 0 FCADRP CC[C@]1(C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707773 490333446 /nfs/dbraw/zinc/33/34/46/490333446.db2.gz USFHBEGRLNILPH-PKOBYXMFSA-N 2 0 352.523 0.772 20 0 FCADRP CNc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000467795249 490341493 /nfs/dbraw/zinc/34/14/93/490341493.db2.gz MGHBYXKPOPFRHJ-GJZGRUSLSA-N 2 0 362.526 0.396 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626682 491319532 /nfs/dbraw/zinc/31/95/32/491319532.db2.gz PTIVKCAAKRNEHB-BSDSXHPESA-N 2 0 356.470 0.683 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436511 490350828 /nfs/dbraw/zinc/35/08/28/490350828.db2.gz NLNNTGNYNIKZIR-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927745 490358494 /nfs/dbraw/zinc/35/84/94/490358494.db2.gz OMMZCKOAQLUKCD-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000522258394 490359494 /nfs/dbraw/zinc/35/94/94/490359494.db2.gz QVUWKBNQXDYEQZ-TXPKVOOTSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522258392 490359931 /nfs/dbraw/zinc/35/99/31/490359931.db2.gz QVUWKBNQXDYEQZ-GPMSIDNRSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CC(=O)C[C@@H](C(=O)NCCC[NH+](C)C)[C@@H]1C(=O)NCCC[NH+](C)C ZINC000448544079 490362782 /nfs/dbraw/zinc/36/27/82/490362782.db2.gz VUCOJNMBKHDHTN-DJIMGWMZSA-N 2 0 368.522 0.354 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000498947333 490369125 /nfs/dbraw/zinc/36/91/25/490369125.db2.gz HHDZFQDZVRNZDN-SJORKVTESA-N 2 0 350.507 0.991 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000468272665 490379678 /nfs/dbraw/zinc/37/96/78/490379678.db2.gz NVAVRRBVZBOKHC-SSOQLKFYSA-N 2 0 368.522 0.350 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000484077210 490379884 /nfs/dbraw/zinc/37/98/84/490379884.db2.gz XZYOSDKLLTYUBJ-KRWDZBQOSA-N 2 0 372.517 0.885 20 0 FCADRP CC[NH+](C)CCNC(=O)[C@H]1[C@H](C(=O)NCC[N@@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342648 490390775 /nfs/dbraw/zinc/39/07/75/490390775.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 2 0 368.522 0.354 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000411243505 490412482 /nfs/dbraw/zinc/41/24/82/490412482.db2.gz LTSNNHQUNOFUPS-UHFFFAOYSA-N 2 0 350.463 0.942 20 0 FCADRP [NH3+]CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(F)(F)F ZINC000449724412 490427150 /nfs/dbraw/zinc/42/71/50/490427150.db2.gz GWQUMSMVTWDBIT-ZDUSSCGKSA-N 2 0 359.396 0.990 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C)n1 ZINC000411399462 490448916 /nfs/dbraw/zinc/44/89/16/490448916.db2.gz LMHLHLFIWPKHNH-OAHLLOKOSA-N 2 0 362.478 0.598 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000509723936 490458122 /nfs/dbraw/zinc/45/81/22/490458122.db2.gz ZZPZTHWFMRRIFL-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000509723790 490458397 /nfs/dbraw/zinc/45/83/97/490458397.db2.gz ZJWZSNIVLVTTIQ-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714588 490464079 /nfs/dbraw/zinc/46/40/79/490464079.db2.gz LDHSXUOMQFSXBH-ZWKOTPCHSA-N 2 0 362.522 0.735 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523481631 490468454 /nfs/dbraw/zinc/46/84/54/490468454.db2.gz HZNSCOASKCUNDU-HZPDHXFCSA-N 2 0 355.527 0.959 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482359 490468964 /nfs/dbraw/zinc/46/89/64/490468964.db2.gz TZLUOYRFTMSYIN-MRXNPFEDSA-N 2 0 366.506 0.790 20 0 FCADRP CC[NH+]1CCN(CCC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000468980132 490472490 /nfs/dbraw/zinc/47/24/90/490472490.db2.gz PETFLQYVBLKPOY-UHFFFAOYSA-N 2 0 361.490 0.813 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422868436 490489578 /nfs/dbraw/zinc/48/95/78/490489578.db2.gz UXHIFCCBRBNODG-KRWDZBQOSA-N 3 0 354.539 0.925 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500443626 490516694 /nfs/dbraw/zinc/51/66/94/490516694.db2.gz QHPGWGLKAWVJIG-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500452205 490517634 /nfs/dbraw/zinc/51/76/34/490517634.db2.gz AVWISHWYTRMGKL-HNNXBMFYSA-N 2 0 366.506 0.299 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC000423036711 490525862 /nfs/dbraw/zinc/52/58/62/490525862.db2.gz LJKWNYLQQKKRBQ-GOSISDBHSA-N 2 0 374.485 0.297 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564889496 491333961 /nfs/dbraw/zinc/33/39/61/491333961.db2.gz FIKVDGLINUAYPX-SJORKVTESA-N 2 0 374.485 0.817 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423061114 490533902 /nfs/dbraw/zinc/53/39/02/490533902.db2.gz QDUCKXCBGJCWEW-JFIYKMOQSA-N 2 0 358.486 0.928 20 0 FCADRP CN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423068300 490535167 /nfs/dbraw/zinc/53/51/67/490535167.db2.gz JONVPMSUZMLZRK-KRWDZBQOSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000548800211 490542558 /nfs/dbraw/zinc/54/25/58/490542558.db2.gz IJCBDKDDMNBUNL-ZCNNSNEGSA-N 2 0 372.513 0.376 20 0 FCADRP COC[C@]1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000564908664 491335303 /nfs/dbraw/zinc/33/53/03/491335303.db2.gz ZQMPSRJYXKWXDT-IBGZPJMESA-N 2 0 362.474 0.220 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000500779316 490552759 /nfs/dbraw/zinc/55/27/59/490552759.db2.gz JAJAUDCUFRNDCK-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@H+](C)CC1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000524758595 490556965 /nfs/dbraw/zinc/55/69/65/490556965.db2.gz KSNCPBMRJYWSFN-UHFFFAOYSA-N 2 0 357.524 0.751 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000524858402 490565623 /nfs/dbraw/zinc/56/56/23/490565623.db2.gz GETGWUIGXZPVPO-HZPDHXFCSA-N 2 0 351.495 0.454 20 0 FCADRP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000564940952 491338696 /nfs/dbraw/zinc/33/86/96/491338696.db2.gz VIKQYSWHSACKCY-JKSUJKDBSA-N 2 0 366.506 0.394 20 0 FCADRP Cc1cc(NC([O-])=[NH+]c2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)c[nH+]1 ZINC000536619755 490598451 /nfs/dbraw/zinc/59/84/51/490598451.db2.gz HDMWTEGGSJPSSA-UHFFFAOYSA-N 2 0 359.434 0.639 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000486281043 490604486 /nfs/dbraw/zinc/60/44/86/490604486.db2.gz NSXLDHRYCDADKI-IBGZPJMESA-N 3 0 372.517 0.100 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCCCCC1 ZINC000525445537 490606124 /nfs/dbraw/zinc/60/61/24/490606124.db2.gz UGVNLXHPVBCMOC-UHFFFAOYSA-N 2 0 355.527 0.914 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958130 491339762 /nfs/dbraw/zinc/33/97/62/491339762.db2.gz JARNTSJVCMFVDJ-PBHICJAKSA-N 2 0 362.474 0.769 20 0 FCADRP CCCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000525688090 490620614 /nfs/dbraw/zinc/62/06/14/490620614.db2.gz VKLSCNZEYDDWPW-INIZCTEOSA-N 2 0 366.506 0.694 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122042 490627660 /nfs/dbraw/zinc/62/76/60/490627660.db2.gz ONZRCHKSDZJROY-KBXCAEBGSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@@H](C(=O)OC)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000511888968 490634500 /nfs/dbraw/zinc/63/45/00/490634500.db2.gz KDJLMXOEZMESFW-SFHVURJKSA-N 2 0 354.539 0.972 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000486507419 490641324 /nfs/dbraw/zinc/64/13/24/490641324.db2.gz KCHXJFSKXGLRKP-QGZVFWFLSA-N 2 0 367.538 0.911 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000572001992 491342491 /nfs/dbraw/zinc/34/24/91/491342491.db2.gz XXCXOMRPEOQOAY-UONOGXRCSA-N 2 0 350.463 0.485 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1 ZINC000537178500 490657147 /nfs/dbraw/zinc/65/71/47/490657147.db2.gz KVRXXMPEFOETNP-INIZCTEOSA-N 2 0 354.495 0.110 20 0 FCADRP O=C([C@H]1CCC[N@H+](CCn2cnc3ccccc3c2=O)C1)N1CC[NH2+]CC1 ZINC000564988444 491344027 /nfs/dbraw/zinc/34/40/27/491344027.db2.gz NFQMZOIDNZYJAF-INIZCTEOSA-N 2 0 369.469 0.540 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486807604 490673078 /nfs/dbraw/zinc/67/30/78/490673078.db2.gz ICOADIYTCKXIEZ-DQQOZFGGSA-N 2 0 364.534 0.925 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000572059415 491346091 /nfs/dbraw/zinc/34/60/91/491346091.db2.gz GYZSKRYNSYAAPG-CVEARBPZSA-N 2 0 351.495 0.452 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487073975 490691307 /nfs/dbraw/zinc/69/13/07/490691307.db2.gz QNTBVSCSAWGDIT-ZXLDYLNASA-N 2 0 364.534 0.830 20 0 FCADRP O=C1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1CCN1CCOCC1 ZINC000538158555 490716391 /nfs/dbraw/zinc/71/63/91/490716391.db2.gz GZAOMSVQRWZINZ-GOSISDBHSA-N 2 0 350.507 0.384 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000527374377 490720633 /nfs/dbraw/zinc/72/06/33/490720633.db2.gz XDEHBRYPITVEBE-UHFFFAOYSA-N 2 0 361.490 0.851 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487671688 490724376 /nfs/dbraw/zinc/72/43/76/490724376.db2.gz GRQDWROGCIWXCC-SJORKVTESA-N 2 0 356.511 0.632 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000527447036 490724951 /nfs/dbraw/zinc/72/49/51/490724951.db2.gz FDNYYQLIXKWACW-XHSDSOJGSA-N 2 0 352.458 0.726 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000502915760 490729994 /nfs/dbraw/zinc/72/99/94/490729994.db2.gz BNKAKGVSTSDSAX-IKGGRYGDSA-N 2 0 356.511 0.584 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513469958 490731926 /nfs/dbraw/zinc/73/19/26/490731926.db2.gz UBISDHSYHCCHBW-MRXNPFEDSA-N 2 0 369.554 0.175 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527806800 490761120 /nfs/dbraw/zinc/76/11/20/490761120.db2.gz MMSDKPDAHPUTCS-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP CN(CCC[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000514617627 490776455 /nfs/dbraw/zinc/77/64/55/490776455.db2.gz WIVGQKNPJUODSY-QGZVFWFLSA-N 2 0 361.490 0.874 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514737541 490785752 /nfs/dbraw/zinc/78/57/52/490785752.db2.gz XMTOXVMIHLYSOR-YESZJQIVSA-N 2 0 359.474 0.113 20 0 FCADRP CSC1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[NH+](C)CC1 ZINC000573263015 491423072 /nfs/dbraw/zinc/42/30/72/491423072.db2.gz FSOAFGIQKMIXOO-UHFFFAOYSA-N 3 0 359.584 0.949 20 0 FCADRP COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000514856299 490793565 /nfs/dbraw/zinc/79/35/65/490793565.db2.gz CKCRMZFSIXOHOR-AEFFLSMTSA-N 2 0 351.491 0.798 20 0 FCADRP CN1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154444 491356797 /nfs/dbraw/zinc/35/67/97/491356797.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 2 0 359.518 0.835 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000515005794 490802767 /nfs/dbraw/zinc/80/27/67/490802767.db2.gz PSNJVCVRSMGKJM-KRWDZBQOSA-N 2 0 352.523 0.975 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000515073135 490807513 /nfs/dbraw/zinc/80/75/13/490807513.db2.gz GFEQADRYCZEVBC-RBUKOAKNSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@]1(CO)C[NH+](C/C=C/C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753334 490826519 /nfs/dbraw/zinc/82/65/19/490826519.db2.gz WDBFPSDKOZEPNL-MCBGNAOOSA-N 2 0 370.534 0.168 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000515836977 490840081 /nfs/dbraw/zinc/84/00/81/490840081.db2.gz KUEWMLYXTLPITI-MAUKXSAKSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000529326105 490852941 /nfs/dbraw/zinc/85/29/41/490852941.db2.gz LKBAMZJNPABRRM-NPYXIHBLSA-N 2 0 365.522 0.709 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000541267509 490856774 /nfs/dbraw/zinc/85/67/74/490856774.db2.gz WNNIUFJVEAKFSX-KZNAEPCWSA-N 2 0 352.523 0.439 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215658 490857416 /nfs/dbraw/zinc/85/74/16/490857416.db2.gz AYSUDEZZVXIKTE-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000516384307 490862338 /nfs/dbraw/zinc/86/23/38/490862338.db2.gz ABZIDGUMROGEBD-OAHLLOKOSA-N 2 0 350.467 0.631 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000565190782 491359255 /nfs/dbraw/zinc/35/92/55/491359255.db2.gz XKAWAEHPIRARLK-UHFFFAOYSA-N 2 0 350.511 0.448 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000542166134 490887964 /nfs/dbraw/zinc/88/79/64/490887964.db2.gz FEVGXKTXYCYVHE-QZTJIDSGSA-N 2 0 352.523 0.582 20 0 FCADRP CN1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000517541852 490911182 /nfs/dbraw/zinc/91/11/82/490911182.db2.gz CCJLMUWSTQGDIK-ROUUACIJSA-N 2 0 373.501 0.041 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000517567068 490912656 /nfs/dbraw/zinc/91/26/56/490912656.db2.gz YWMVRPSAOXEJTF-OAHLLOKOSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000517616452 490914587 /nfs/dbraw/zinc/91/45/87/490914587.db2.gz KWYDQNANWWELBI-IRXDYDNUSA-N 2 0 368.522 0.279 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[NH2+]CC3)C2)CC1 ZINC000517731060 490918026 /nfs/dbraw/zinc/91/80/26/490918026.db2.gz HFOKKRANCIVFKC-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530679682 490919104 /nfs/dbraw/zinc/91/91/04/490919104.db2.gz YEVJJIIQHQDLND-PZJWPPBQSA-N 2 0 373.497 0.804 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000543125095 490922719 /nfs/dbraw/zinc/92/27/19/490922719.db2.gz NWOZFFPASBQRNH-HNNXBMFYSA-N 2 0 350.463 0.607 20 0 FCADRP O=C(C[NH2+]C1(C2CC2)CC1)N1CCN(C(=O)C[NH2+]C2(C3CC3)CC2)CC1 ZINC000543454349 490933146 /nfs/dbraw/zinc/93/31/46/490933146.db2.gz XNTZQWOKSCUSKU-UHFFFAOYSA-N 2 0 360.502 0.722 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000518225209 490933753 /nfs/dbraw/zinc/93/37/53/490933753.db2.gz HYEGZOSHSMJQSX-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531052834 490937538 /nfs/dbraw/zinc/93/75/38/490937538.db2.gz LESIGPLJBASIRG-FQEVSTJZSA-N 2 0 360.502 0.377 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000518440907 490941241 /nfs/dbraw/zinc/94/12/41/490941241.db2.gz WJJWLHYRXRQBPF-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]12 ZINC000518514679 490943767 /nfs/dbraw/zinc/94/37/67/490943767.db2.gz IMSPEHRJCDAOGC-RTKZEXODSA-N 2 0 360.502 0.657 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000572381601 491366054 /nfs/dbraw/zinc/36/60/54/491366054.db2.gz QBDRYKGTAVDSQO-INMHGKMJSA-N 2 0 351.495 0.369 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]2CCCC2)c1 ZINC000565254950 491366104 /nfs/dbraw/zinc/36/61/04/491366104.db2.gz QUNBTALWKGDUNT-KRWDZBQOSA-N 2 0 362.474 0.756 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000572379301 491366178 /nfs/dbraw/zinc/36/61/78/491366178.db2.gz BLKHOQQPYNZNFI-OAHLLOKOSA-N 2 0 370.457 1.442 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518738558 490949654 /nfs/dbraw/zinc/94/96/54/490949654.db2.gz ZVJIQKIYMVSCDD-KKUMJFAQSA-N 2 0 352.479 0.302 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000531357621 490953602 /nfs/dbraw/zinc/95/36/02/490953602.db2.gz KJFVGIHCIYURMY-UHFFFAOYSA-N 2 0 356.417 0.646 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000544008105 490954897 /nfs/dbraw/zinc/95/48/97/490954897.db2.gz LTDSBYSJZKRVBX-MRXNPFEDSA-N 2 0 353.511 0.701 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000518934796 490955591 /nfs/dbraw/zinc/95/55/91/490955591.db2.gz OKNLKLOLHADYJD-BBRMVZONSA-N 2 0 358.442 0.660 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000557303961 491366521 /nfs/dbraw/zinc/36/65/21/491366521.db2.gz FAPSCDNIDXIGBF-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000531484062 490960305 /nfs/dbraw/zinc/96/03/05/490960305.db2.gz ZCUHRDGRAOWGIN-HOCLYGCPSA-N 2 0 365.522 0.854 20 0 FCADRP C[NH+]1CC[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3CC[N@@H+](C)C3)C2(C)C)C1 ZINC000531491531 490960860 /nfs/dbraw/zinc/96/08/60/490960860.db2.gz NSJMVABUMMNFQG-DIOPXHOYSA-N 2 0 364.534 0.925 20 0 FCADRP CC(C)[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000519121145 490961704 /nfs/dbraw/zinc/96/17/04/490961704.db2.gz XAFARQWOWFSCFU-NUJGCVRESA-N 2 0 365.522 0.615 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000572399868 491367591 /nfs/dbraw/zinc/36/75/91/491367591.db2.gz DIPIPMPVMGUPHH-NRFANRHFSA-N 2 0 370.497 0.684 20 0 FCADRP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000519541580 490975109 /nfs/dbraw/zinc/97/51/09/490975109.db2.gz CPSRWWAJMLMLFF-SJORKVTESA-N 2 0 351.495 0.324 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812236 490975442 /nfs/dbraw/zinc/97/54/42/490975442.db2.gz HNAYWLYXVHRMFA-DOTOQJQBSA-N 2 0 363.506 0.419 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000532264885 490990112 /nfs/dbraw/zinc/99/01/12/490990112.db2.gz ZMXJSEQJRGMULI-GVDBMIGSSA-N 2 0 354.495 0.384 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315168 490990839 /nfs/dbraw/zinc/99/08/39/490990839.db2.gz NXRLDAAKOHANBR-WMLDXEAASA-N 2 0 365.522 0.711 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)CC[NH+](C)C)CCCC2)CC1 ZINC000553940401 491165742 /nfs/dbraw/zinc/16/57/42/491165742.db2.gz GQTWNCQTYVLFEP-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569560106 491168058 /nfs/dbraw/zinc/16/80/58/491168058.db2.gz FVOOVEXDXZJJRO-AHCXZYCDSA-N 2 0 374.485 0.198 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000554029325 491171007 /nfs/dbraw/zinc/17/10/07/491171007.db2.gz GKDCGXIPDJVQFP-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000569621735 491175437 /nfs/dbraw/zinc/17/54/37/491175437.db2.gz ROIFLOYAVJODEO-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP COC[C@@]1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCC[NH2+]1 ZINC000572467125 491372276 /nfs/dbraw/zinc/37/22/76/491372276.db2.gz HWQVEDBEARSSNF-YJBOKZPZSA-N 2 0 354.495 0.650 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000557485796 491376985 /nfs/dbraw/zinc/37/69/85/491376985.db2.gz MFOSLZFAFHCPFJ-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000572620980 491382026 /nfs/dbraw/zinc/38/20/26/491382026.db2.gz WNMOUCHNJHAEGZ-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561014 491382965 /nfs/dbraw/zinc/38/29/65/491382965.db2.gz DNQPPJJBSLNGMW-GOEBONIOSA-N 2 0 354.495 0.155 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000565549910 491383915 /nfs/dbraw/zinc/38/39/15/491383915.db2.gz OFRLHNIIXQNJEA-UHFFFAOYSA-N 2 0 356.536 0.662 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000565615493 491389458 /nfs/dbraw/zinc/38/94/58/491389458.db2.gz FYHYJVCXVBQQDN-CVEARBPZSA-N 2 0 356.511 0.450 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3ccnc3C2)CCN1C ZINC000660280924 493339631 /nfs/dbraw/zinc/33/96/31/493339631.db2.gz KQONFYXAHWAAIP-CVEARBPZSA-N 2 0 361.490 0.703 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CCN1C ZINC000660281351 493339685 /nfs/dbraw/zinc/33/96/85/493339685.db2.gz XRIOPDTZOSFLPQ-CABCVRRESA-N 2 0 362.478 0.023 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572751029 491391336 /nfs/dbraw/zinc/39/13/36/491391336.db2.gz UAECLOFNLPMPKL-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000565727598 491395934 /nfs/dbraw/zinc/39/59/34/491395934.db2.gz PINRFJYASHFAHZ-QGZVFWFLSA-N 2 0 367.538 0.959 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754111 491397794 /nfs/dbraw/zinc/39/77/94/491397794.db2.gz VKLJMMNGRHGRII-OTWHNJEPSA-N 2 0 356.555 0.416 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)O1 ZINC000572925787 491402223 /nfs/dbraw/zinc/40/22/23/491402223.db2.gz VNEINNVGXROKSZ-LSDHHAIUSA-N 2 0 357.495 0.828 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000573118176 491414116 /nfs/dbraw/zinc/41/41/16/491414116.db2.gz PNZCDJWBLHOZBF-INIZCTEOSA-N 2 0 355.446 0.865 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nn1 ZINC000566102672 491417671 /nfs/dbraw/zinc/41/76/71/491417671.db2.gz JGMPBNPCMQXAJU-GOEBONIOSA-N 2 0 360.437 0.889 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573202218 491418802 /nfs/dbraw/zinc/41/88/02/491418802.db2.gz QPDPZIXNKQRXOB-QZTJIDSGSA-N 2 0 358.486 0.932 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000558210944 491420010 /nfs/dbraw/zinc/42/00/10/491420010.db2.gz WYLBTMNESTUSBT-LSDHHAIUSA-N 2 0 354.495 0.155 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)nn1 ZINC000566179227 491423357 /nfs/dbraw/zinc/42/33/57/491423357.db2.gz BASOGKJNTKSPND-UHFFFAOYSA-N 2 0 364.494 0.782 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000558545293 491435266 /nfs/dbraw/zinc/43/52/66/491435266.db2.gz ZGZHAWMMQANYKY-UHFFFAOYSA-N 2 0 366.462 0.929 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000573570221 491441086 /nfs/dbraw/zinc/44/10/86/491441086.db2.gz MLIKIXQHNRTCIA-ROUUACIJSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000573917555 491462431 /nfs/dbraw/zinc/46/24/31/491462431.db2.gz XSHBICQIBAZUMT-QGZVFWFLSA-N 2 0 359.474 0.554 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000573920528 491463022 /nfs/dbraw/zinc/46/30/22/491463022.db2.gz PYESWMPWNHDQJR-HUUCEWRRSA-N 2 0 361.490 0.615 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC000559307923 491463676 /nfs/dbraw/zinc/46/36/76/491463676.db2.gz KESQAFMDJCAPJR-SFHVURJKSA-N 2 0 350.511 0.823 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150768 491477489 /nfs/dbraw/zinc/47/74/89/491477489.db2.gz GAPROAOESGNZDY-RTBURBONSA-N 2 0 371.485 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000574191064 491479911 /nfs/dbraw/zinc/47/99/11/491479911.db2.gz ATFRELAOSCCBHX-AMBYYYRHSA-N 2 0 370.497 0.786 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn(C2CCOCC2)nn1 ZINC000574206932 491481000 /nfs/dbraw/zinc/48/10/00/491481000.db2.gz JPOHCTZQTJKLHY-UHFFFAOYSA-N 2 0 366.510 0.975 20 0 FCADRP CC(C)Nc1nc(NCC2([NH+](C)C)CCCCCC2)nc(NCCO)[nH+]1 ZINC000559588555 491483269 /nfs/dbraw/zinc/48/32/69/491483269.db2.gz OPTRMLZOZZACDO-UHFFFAOYSA-N 2 0 365.526 0.428 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000574347323 491490873 /nfs/dbraw/zinc/49/08/73/491490873.db2.gz WPUDMGMSYPOTEI-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000574425996 491495186 /nfs/dbraw/zinc/49/51/86/491495186.db2.gz IYLZXJSDWFUAQO-UHFFFAOYSA-N 2 0 363.481 0.995 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000559748165 491495224 /nfs/dbraw/zinc/49/52/24/491495224.db2.gz OYOTUAXEMSUFQM-DTDBQYNISA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000559760930 491497034 /nfs/dbraw/zinc/49/70/34/491497034.db2.gz SFYGGNMAUGYURV-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)C1(C)C ZINC000574451047 491497813 /nfs/dbraw/zinc/49/78/13/491497813.db2.gz ZWRJMGVVTUNDHY-CLCXKQKWSA-N 2 0 368.522 0.626 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000559781201 491499548 /nfs/dbraw/zinc/49/95/48/491499548.db2.gz WRUUBZNDHPLOEU-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1S(N)(=O)=O ZINC000574519393 491502748 /nfs/dbraw/zinc/50/27/48/491502748.db2.gz RLOUWCJYKVDENJ-UHFFFAOYSA-N 2 0 366.487 0.656 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000574553548 491504930 /nfs/dbraw/zinc/50/49/30/491504930.db2.gz HNMSTZINFZJUHT-CQSZACIVSA-N 2 0 356.511 0.401 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)nn1 ZINC000574570954 491505675 /nfs/dbraw/zinc/50/56/75/491505675.db2.gz YDLHOBOPMMTXMM-UHFFFAOYSA-N 2 0 350.467 0.392 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868014 491506968 /nfs/dbraw/zinc/50/69/68/491506968.db2.gz WZKJZBFNHIEXDI-IFIJOSMWSA-N 2 0 354.520 0.139 20 0 FCADRP O=C(CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000567454090 491507132 /nfs/dbraw/zinc/50/71/32/491507132.db2.gz BZAHMFICIKAROZ-UHFFFAOYSA-N 2 0 359.474 0.513 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000567455731 491507292 /nfs/dbraw/zinc/50/72/92/491507292.db2.gz LFUVDEWKUPDJEW-CYBMUJFWSA-N 2 0 358.364 0.512 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CCN1C ZINC000574598885 491507911 /nfs/dbraw/zinc/50/79/11/491507911.db2.gz DLVLVEXMFXRNGH-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013071 491514223 /nfs/dbraw/zinc/51/42/23/491514223.db2.gz HXDOEQBEKARVHG-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000567575015 491514710 /nfs/dbraw/zinc/51/47/10/491514710.db2.gz ULLIMCLYJQPIPG-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560022234 491515381 /nfs/dbraw/zinc/51/53/81/491515381.db2.gz VEZXLHYFNYDNMV-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560024459 491516050 /nfs/dbraw/zinc/51/60/50/491516050.db2.gz LNUIIMQGYITMHB-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCNCC3=O)CC2)cc1 ZINC000574807844 491521037 /nfs/dbraw/zinc/52/10/37/491521037.db2.gz CRMQNYJDISBORR-UHFFFAOYSA-N 2 0 360.458 0.161 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000574907354 491527197 /nfs/dbraw/zinc/52/71/97/491527197.db2.gz ZDZVHOXWHNJZGX-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804693 491530756 /nfs/dbraw/zinc/53/07/56/491530756.db2.gz URZKLSIBRUZETG-GJZGRUSLSA-N 2 0 350.467 0.025 20 0 FCADRP [NH3+]CC1(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC000567811494 491531515 /nfs/dbraw/zinc/53/15/15/491531515.db2.gz MRXIZKIKTRZRTA-UHFFFAOYSA-N 2 0 350.507 0.956 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000567835535 491533497 /nfs/dbraw/zinc/53/34/97/491533497.db2.gz VBCFGLCFYNNRKY-AEFFLSMTSA-N 2 0 356.470 0.544 20 0 FCADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000575026710 491534517 /nfs/dbraw/zinc/53/45/17/491534517.db2.gz RKCVDONIDQCMAA-CRAIPNDOSA-N 2 0 361.490 0.717 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567982567 491544720 /nfs/dbraw/zinc/54/47/20/491544720.db2.gz BGUBVDHICUXVLA-PKOBYXMFSA-N 2 0 352.523 0.759 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])c2)CC1 ZINC000575233885 491546828 /nfs/dbraw/zinc/54/68/28/491546828.db2.gz MHHJPQCIZJHVGV-SFHVURJKSA-N 3 0 360.506 0.935 20 0 FCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000568249427 491562078 /nfs/dbraw/zinc/56/20/78/491562078.db2.gz QDEQYGOYJZOFPK-JKSUJKDBSA-N 2 0 367.519 0.393 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCCO1 ZINC000575860007 491565797 /nfs/dbraw/zinc/56/57/97/491565797.db2.gz CMYAPJUPNXTBEU-INIZCTEOSA-N 2 0 352.479 0.040 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295697 491567874 /nfs/dbraw/zinc/56/78/74/491567874.db2.gz LUFXNSQDHACJEI-RCCFBDPRSA-N 2 0 371.485 0.604 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000575900239 491568616 /nfs/dbraw/zinc/56/86/16/491568616.db2.gz SDXJWBGVBTWJHJ-QZTJIDSGSA-N 2 0 373.501 0.504 20 0 FCADRP CN1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000575898643 491568636 /nfs/dbraw/zinc/56/86/36/491568636.db2.gz SDAKYQWAPGVSDK-INIZCTEOSA-N 3 0 353.511 0.306 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000575903426 491569067 /nfs/dbraw/zinc/56/90/67/491569067.db2.gz ARCOSRYSJSMZOK-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000575902761 491569076 /nfs/dbraw/zinc/56/90/76/491569076.db2.gz XNFOGCLDJMDKDJ-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575920685 491570047 /nfs/dbraw/zinc/57/00/47/491570047.db2.gz JEFZBLPVJVVWOS-INIZCTEOSA-N 2 0 357.462 0.629 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000575973966 491573342 /nfs/dbraw/zinc/57/33/42/491573342.db2.gz DYUHPUFZNGJDJV-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000576015914 491576414 /nfs/dbraw/zinc/57/64/14/491576414.db2.gz FOMXRPGYELZSTB-XMTFNYHQSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561188103 491581289 /nfs/dbraw/zinc/58/12/89/491581289.db2.gz ZKANEOKPGGEVPW-SJLPKXTDSA-N 2 0 373.501 0.628 20 0 FCADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000568534835 491584670 /nfs/dbraw/zinc/58/46/70/491584670.db2.gz FKGSOHFPCHWHDM-RYQLBKOJSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000576146378 491585874 /nfs/dbraw/zinc/58/58/74/491585874.db2.gz VKXSBOYNIWJNHY-KEYYUXOJSA-N 2 0 350.507 0.774 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC000576146831 491586341 /nfs/dbraw/zinc/58/63/41/491586341.db2.gz FLDPFZLFKZFBJX-FQEVSTJZSA-N 2 0 362.518 0.923 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000673650361 493353075 /nfs/dbraw/zinc/35/30/75/493353075.db2.gz OQJIDUYEGAZRGG-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635261 491595418 /nfs/dbraw/zinc/59/54/18/491595418.db2.gz XAMGTQYKADOESZ-FCEWJHQRSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520254 491599962 /nfs/dbraw/zinc/59/99/62/491599962.db2.gz LKKKHMAQMYSETJ-KGLIPLIRSA-N 2 0 352.479 0.302 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000568729591 491604346 /nfs/dbraw/zinc/60/43/46/491604346.db2.gz PPGIQYAXSAERMZ-ROUUACIJSA-N 2 0 352.523 0.820 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)CCC[NH+](C)C)C2 ZINC000576374658 491609594 /nfs/dbraw/zinc/60/95/94/491609594.db2.gz WXZAMSUXRRZTNL-MQVJKMGUSA-N 2 0 353.511 0.663 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000561551399 491615996 /nfs/dbraw/zinc/61/59/96/491615996.db2.gz KNXRRACXJKBGQM-INIZCTEOSA-N 2 0 351.495 0.989 20 0 FCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576468442 491617540 /nfs/dbraw/zinc/61/75/40/491617540.db2.gz DZPHUFJOADXPJA-SJORKVTESA-N 2 0 360.506 0.883 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000568915981 491619624 /nfs/dbraw/zinc/61/96/24/491619624.db2.gz WTTGGNXXEIHKJU-ZACQAIPSSA-N 2 0 365.522 0.842 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000561589130 491619729 /nfs/dbraw/zinc/61/97/29/491619729.db2.gz MMLMLDASMITZJI-HNNXBMFYSA-N 2 0 368.522 0.545 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412669 491620550 /nfs/dbraw/zinc/62/05/50/491620550.db2.gz VOUICTIBILAPNW-OZILWLBTSA-N 2 0 361.490 0.093 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000568966707 491622742 /nfs/dbraw/zinc/62/27/42/491622742.db2.gz RHUYGVHRMKNWFG-MRXNPFEDSA-N 2 0 365.522 0.714 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCCC1 ZINC000561652454 491623251 /nfs/dbraw/zinc/62/32/51/491623251.db2.gz KQDUKUPZVRMEGE-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CCN2C1=O ZINC000577510149 491628032 /nfs/dbraw/zinc/62/80/32/491628032.db2.gz WOBSGXYDCKNSCG-IAGOWNOFSA-N 2 0 374.510 0.619 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000561897242 491638346 /nfs/dbraw/zinc/63/83/46/491638346.db2.gz TVUNDNGAXNPYRN-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000576729940 491640596 /nfs/dbraw/zinc/64/05/96/491640596.db2.gz MYLKIZYDBZKTRM-RDJZCZTQSA-N 2 0 359.474 0.380 20 0 FCADRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577714685 491644245 /nfs/dbraw/zinc/64/42/45/491644245.db2.gz SZZMOAKYVUWIMA-PKOBYXMFSA-N 2 0 358.486 0.942 20 0 FCADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000577725341 491646008 /nfs/dbraw/zinc/64/60/08/491646008.db2.gz NDOXYQXJMDIWLR-NCOADZHNSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576837922 491649203 /nfs/dbraw/zinc/64/92/03/491649203.db2.gz LPEJRUYSTMTROC-WFASDCNBSA-N 2 0 356.426 0.878 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000569349931 491655039 /nfs/dbraw/zinc/65/50/39/491655039.db2.gz ATESHRYJIKZXED-XYJFISCASA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000577870877 491659224 /nfs/dbraw/zinc/65/92/24/491659224.db2.gz VLDHMPNIDGJKKE-CVEARBPZSA-N 2 0 368.522 0.627 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458506 491663607 /nfs/dbraw/zinc/66/36/07/491663607.db2.gz MBQQZNXWSAIJTI-GOEBONIOSA-N 2 0 369.531 0.629 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000578339469 491675077 /nfs/dbraw/zinc/67/50/77/491675077.db2.gz HGAJZGFRRKVHST-DLBZAZTESA-N 2 0 365.522 0.698 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000578354032 491675474 /nfs/dbraw/zinc/67/54/74/491675474.db2.gz HGVAMTGKWKQUGH-CGTJXYLNSA-N 2 0 374.485 0.260 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000578448411 491677387 /nfs/dbraw/zinc/67/73/87/491677387.db2.gz WHRVBWUYGSOMIQ-UHFFFAOYSA-N 2 0 368.503 0.054 20 0 FCADRP COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000578550850 491679804 /nfs/dbraw/zinc/67/98/04/491679804.db2.gz QIRMQXDFXPONFE-UHFFFAOYSA-N 2 0 371.503 0.826 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000578979337 491688218 /nfs/dbraw/zinc/68/82/18/491688218.db2.gz BBPBQTWXRBYXMR-CQSZACIVSA-N 2 0 365.503 0.616 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043268 491689841 /nfs/dbraw/zinc/68/98/41/491689841.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 2 0 368.566 0.291 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000579265573 491694382 /nfs/dbraw/zinc/69/43/82/491694382.db2.gz DIYBJCRJCASCFH-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000579453786 491698131 /nfs/dbraw/zinc/69/81/31/491698131.db2.gz UBLKHKSOLIQDST-FZCLSBEQSA-N 2 0 362.518 0.966 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590129 491701064 /nfs/dbraw/zinc/70/10/64/491701064.db2.gz KLWIMVAAWVSJPM-OKZBNKHCSA-N 2 0 371.485 0.476 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000579715223 491703753 /nfs/dbraw/zinc/70/37/53/491703753.db2.gz UIDDBJDJFPIRFA-OWCLPIDISA-N 2 0 354.495 0.250 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000584581834 491708314 /nfs/dbraw/zinc/70/83/14/491708314.db2.gz FEVZDFZSRUDIHI-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP COC[C@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCC[NH2+]1 ZINC000579957539 491710997 /nfs/dbraw/zinc/71/09/97/491710997.db2.gz CVFVZXITPHVLCC-AZUAARDMSA-N 2 0 371.485 0.686 20 0 FCADRP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000584775028 491713935 /nfs/dbraw/zinc/71/39/35/491713935.db2.gz SPPZFQQOVQSECQ-HDICACEKSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000580031357 491714076 /nfs/dbraw/zinc/71/40/76/491714076.db2.gz GSYCPYOMEBVMFK-QGZVFWFLSA-N 2 0 357.568 0.749 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000580053826 491715059 /nfs/dbraw/zinc/71/50/59/491715059.db2.gz VYYCNHXQDPLAAP-INIZCTEOSA-N 2 0 354.495 0.557 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000580062310 491715344 /nfs/dbraw/zinc/71/53/44/491715344.db2.gz DOAWSAKRIVZLTL-IAGOWNOFSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000580559754 491736166 /nfs/dbraw/zinc/73/61/66/491736166.db2.gz YAROOHFLQAWYDF-QGZVFWFLSA-N 2 0 362.474 0.502 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NCC[NH+]1CCCCCC1 ZINC000580613195 491738632 /nfs/dbraw/zinc/73/86/32/491738632.db2.gz ZQIDZCXWMKZWJZ-IAGOWNOFSA-N 2 0 365.522 0.905 20 0 FCADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580646153 491739877 /nfs/dbraw/zinc/73/98/77/491739877.db2.gz CLSXYABRPKLTOL-WCQGTBRESA-N 2 0 366.384 0.591 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000581245151 491765503 /nfs/dbraw/zinc/76/55/03/491765503.db2.gz AYKSDAWIHFYXLD-KANFNMMFSA-N 2 0 370.497 0.773 20 0 FCADRP [NH3+]CCC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000581315683 491768575 /nfs/dbraw/zinc/76/85/75/491768575.db2.gz NQOXSXIGZAPZAQ-UHFFFAOYSA-N 2 0 350.507 0.908 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000581370132 491770300 /nfs/dbraw/zinc/77/03/00/491770300.db2.gz KMXNYBVWDPPLHG-DAXOMENPSA-N 2 0 366.487 0.722 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000590314817 491773287 /nfs/dbraw/zinc/77/32/87/491773287.db2.gz CUWVERRQGGGNQL-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)OCCCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000581442379 491773443 /nfs/dbraw/zinc/77/34/43/491773443.db2.gz CASBNHXOJBNMKD-UHFFFAOYSA-N 2 0 356.511 0.402 20 0 FCADRP O=C(NCCCN1CCN(c2ncccn2)CC1)NCC1CC[NH2+]CC1 ZINC000581537639 491776557 /nfs/dbraw/zinc/77/65/57/491776557.db2.gz UWNMDDRJZIXTNO-UHFFFAOYSA-N 2 0 361.494 0.288 20 0 FCADRP CN(c1ccccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618668 491780164 /nfs/dbraw/zinc/78/01/64/491780164.db2.gz KOYKTDHBHZBAMD-OALUTQOASA-N 2 0 371.529 0.961 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581737624 491785087 /nfs/dbraw/zinc/78/50/87/491785087.db2.gz MQLQAMHJOBRKMG-YLFCFFPRSA-N 2 0 350.507 0.727 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583936 493363849 /nfs/dbraw/zinc/36/38/49/493363849.db2.gz GPORDYSGOUOMMZ-HUUCEWRRSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583935 493363867 /nfs/dbraw/zinc/36/38/67/493363867.db2.gz GPORDYSGOUOMMZ-GJZGRUSLSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000581747633 491785199 /nfs/dbraw/zinc/78/51/99/491785199.db2.gz SGSIWOJQWDHGTM-OAGGEKHMSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476477 491814263 /nfs/dbraw/zinc/81/42/63/491814263.db2.gz ZHQRWHRQINAUFX-WMLDXEAASA-N 2 0 356.536 0.821 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740272 491824918 /nfs/dbraw/zinc/82/49/18/491824918.db2.gz KDZMEEVYOTWVGY-CXAGYDPISA-N 2 0 354.520 0.140 20 0 FCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000582834604 491828683 /nfs/dbraw/zinc/82/86/83/491828683.db2.gz SVHKGOKEVSBUHB-LJQANCHMSA-N 2 0 357.502 0.734 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914921 491832255 /nfs/dbraw/zinc/83/22/55/491832255.db2.gz HNJWKQCLUHEDLR-OKZBNKHCSA-N 2 0 371.485 0.604 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CC(C)C ZINC000582976830 491834916 /nfs/dbraw/zinc/83/49/16/491834916.db2.gz UXYKILHHHPDOAE-JYJNAYRXSA-N 2 0 353.511 0.696 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583138212 491838899 /nfs/dbraw/zinc/83/88/99/491838899.db2.gz ZVGFCINOXVVTQJ-YTQUADARSA-N 2 0 370.497 0.787 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1Cn1ccnc1 ZINC000583371486 491843452 /nfs/dbraw/zinc/84/34/52/491843452.db2.gz PXHDDQLWZRGCHC-UONOGXRCSA-N 2 0 374.411 0.893 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000583452568 491845334 /nfs/dbraw/zinc/84/53/34/491845334.db2.gz PHRBPSKEBBNCJH-NXOAAHMSSA-N 2 0 350.507 0.809 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+](C)C1 ZINC000583552069 491847348 /nfs/dbraw/zinc/84/73/48/491847348.db2.gz CDHBBKXEAUNQMO-MSOLQXFVSA-N 2 0 374.485 0.857 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583578109 491847969 /nfs/dbraw/zinc/84/79/69/491847969.db2.gz BXLGHCFELICFHM-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@@]1(C)C[NH3+] ZINC000583683555 491849977 /nfs/dbraw/zinc/84/99/77/491849977.db2.gz LUGKCNGQEDBQQU-CRAIPNDOSA-N 2 0 353.511 0.605 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000583759131 491851506 /nfs/dbraw/zinc/85/15/06/491851506.db2.gz NUWLUPBOOKICNL-UHFFFAOYSA-N 2 0 373.501 0.750 20 0 FCADRP O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802431 491852175 /nfs/dbraw/zinc/85/21/75/491852175.db2.gz IIOFXCAKYTUDAJ-LTIDMASMSA-N 2 0 364.490 0.099 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@]3(C1)CCC[N@H+](C)C3)CC[NH2+]CC2 ZINC000583807770 491852306 /nfs/dbraw/zinc/85/23/06/491852306.db2.gz ZPJRUZYIWJNHEG-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000583945693 491855208 /nfs/dbraw/zinc/85/52/08/491855208.db2.gz CSFPNRUHDPZHLC-OWCLPIDISA-N 2 0 354.495 0.188 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000584341284 491863289 /nfs/dbraw/zinc/86/32/89/491863289.db2.gz ZVLUDVRDEWHYQW-GOSISDBHSA-N 2 0 374.485 0.119 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611638350 491864436 /nfs/dbraw/zinc/86/44/36/491864436.db2.gz SKRCDUDSNNNULR-UKPHBRMFSA-N 2 0 364.490 0.097 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594885711 491871305 /nfs/dbraw/zinc/87/13/05/491871305.db2.gz DHCCJRXMAGNCRF-MSOLQXFVSA-N 2 0 371.485 0.213 20 0 FCADRP CC(=O)N1CCC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000611737328 491871815 /nfs/dbraw/zinc/87/18/15/491871815.db2.gz LYECOMZAPZGTOD-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594988085 491875486 /nfs/dbraw/zinc/87/54/86/491875486.db2.gz CGLYRPCBHZHFQE-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP CSC1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[NH+](C)CC1 ZINC000595267343 491909293 /nfs/dbraw/zinc/90/92/93/491909293.db2.gz XTOJYMWSEPSWKO-UHFFFAOYSA-N 2 0 354.480 0.268 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000595297616 491914019 /nfs/dbraw/zinc/91/40/19/491914019.db2.gz HXXNHKITNKDNLI-KRWDZBQOSA-N 2 0 367.490 0.585 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542146 491930578 /nfs/dbraw/zinc/93/05/78/491930578.db2.gz GYZHYUIONZTHCH-IRXDYDNUSA-N 2 0 366.506 0.158 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546005 491931707 /nfs/dbraw/zinc/93/17/07/491931707.db2.gz OFHGNGSZQMRSIP-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546987 491932437 /nfs/dbraw/zinc/93/24/37/491932437.db2.gz XRYQXGZMUWOICU-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@]1(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878750 491956623 /nfs/dbraw/zinc/95/66/23/491956623.db2.gz MNVJQSVKHYWGPA-YLJYHZDGSA-N 2 0 373.501 0.935 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)CC[NH2+]CC1 ZINC000602020823 491957346 /nfs/dbraw/zinc/95/73/46/491957346.db2.gz OFLJHMARGZMSJM-AWEZNQCLSA-N 2 0 361.508 0.323 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612930412 491959062 /nfs/dbraw/zinc/95/90/62/491959062.db2.gz NNQIZDHIBDLDCD-XAUUPUKJSA-N 2 0 373.505 0.460 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974019 491960719 /nfs/dbraw/zinc/96/07/19/491960719.db2.gz NNLBASVWTANSOS-CABCVRRESA-N 2 0 351.495 0.370 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000602095131 491960881 /nfs/dbraw/zinc/96/08/81/491960881.db2.gz CXJXFSMRKHCEMP-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000612992466 491961471 /nfs/dbraw/zinc/96/14/71/491961471.db2.gz GEHFDUCDROXYPN-HRCADAONSA-N 2 0 363.506 0.418 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CCC[NH+](C)C)O1 ZINC000613260677 491975211 /nfs/dbraw/zinc/97/52/11/491975211.db2.gz YSJZHPLIYKSRHV-IYBDPMFKSA-N 2 0 356.511 0.354 20 0 FCADRP COC(=O)c1nccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000596098093 491975448 /nfs/dbraw/zinc/97/54/48/491975448.db2.gz MPXIYIMOPFVJGF-UHFFFAOYSA-N 2 0 356.430 0.704 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659979 491990119 /nfs/dbraw/zinc/99/01/19/491990119.db2.gz GHDJALSNWXFTMU-QBPKDAKJSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604182384 492052986 /nfs/dbraw/zinc/05/29/86/492052986.db2.gz FKZZTFLQUFWPHO-INIZCTEOSA-N 2 0 358.490 0.869 20 0 FCADRP Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000614854545 492060382 /nfs/dbraw/zinc/06/03/82/492060382.db2.gz PZIWRZJAOVCMAS-HNNXBMFYSA-N 2 0 372.473 0.216 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604667706 492067312 /nfs/dbraw/zinc/06/73/12/492067312.db2.gz IDMZNHLPBBAXGS-GOSISDBHSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000604668224 492067653 /nfs/dbraw/zinc/06/76/53/492067653.db2.gz VQSKZSQOGRXPLZ-MSOLQXFVSA-N 2 0 365.522 0.176 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000605879562 492104362 /nfs/dbraw/zinc/10/43/62/492104362.db2.gz LDWCZHKLHFNVRK-HOTGVXAUSA-N 2 0 351.495 0.357 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605964590 492108851 /nfs/dbraw/zinc/10/88/51/492108851.db2.gz QPHKVUGUZGIMPX-UHFFFAOYSA-N 2 0 355.527 0.424 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607245646 492142081 /nfs/dbraw/zinc/14/20/81/492142081.db2.gz LRVPMBZXNZVMKX-JKSUJKDBSA-N 2 0 355.527 0.768 20 0 FCADRP COC(=O)c1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000609157950 492199218 /nfs/dbraw/zinc/19/92/18/492199218.db2.gz SGXQCZZIUSGTKO-UHFFFAOYSA-N 2 0 371.503 0.896 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000618306156 492221329 /nfs/dbraw/zinc/22/13/29/492221329.db2.gz VDTGXISKRLLKIA-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000618308741 492222489 /nfs/dbraw/zinc/22/24/89/492222489.db2.gz UJLQECGZVOIQJA-INIZCTEOSA-N 2 0 370.563 0.682 20 0 FCADRP COC(=O)c1cccc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000609897359 492226697 /nfs/dbraw/zinc/22/66/97/492226697.db2.gz HZSUOXOAILGCMC-UHFFFAOYSA-N 2 0 371.503 0.728 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1 ZINC000610013046 492231530 /nfs/dbraw/zinc/23/15/30/492231530.db2.gz PSCSJNQXXJIIJB-CQSZACIVSA-N 2 0 369.510 0.391 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000619900059 492282299 /nfs/dbraw/zinc/28/22/99/492282299.db2.gz RMEIYEXFZBHRCT-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469227 492308178 /nfs/dbraw/zinc/30/81/78/492308178.db2.gz OLZBWZXGHJEQBA-MSOLQXFVSA-N 2 0 374.485 0.072 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1=O ZINC000633943452 492310249 /nfs/dbraw/zinc/31/02/49/492310249.db2.gz NEKPGOZSZIYPAX-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627475186 492312450 /nfs/dbraw/zinc/31/24/50/492312450.db2.gz HCXAOIGGEUTCPC-ZWKOTPCHSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1=O ZINC000634089770 492320341 /nfs/dbraw/zinc/32/03/41/492320341.db2.gz MAMWMKJKGOAFCW-AWEZNQCLSA-N 2 0 362.478 0.498 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000647597153 492331883 /nfs/dbraw/zinc/33/18/83/492331883.db2.gz QFGXXTYQSKQCJJ-HOTGVXAUSA-N 2 0 367.538 0.105 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCCC1 ZINC000642080261 492332068 /nfs/dbraw/zinc/33/20/68/492332068.db2.gz CCCFYYHANJRCLG-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccs1 ZINC000642080379 492332084 /nfs/dbraw/zinc/33/20/84/492332084.db2.gz QRSUYTUECCGZBC-MELADBBJSA-N 2 0 350.488 0.677 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000642080267 492332427 /nfs/dbraw/zinc/33/24/27/492332427.db2.gz CQJLEVLDIOCGPJ-RWMBFGLXSA-N 2 0 354.476 0.042 20 0 FCADRP CC(C)[NH+](C)CC(=O)N[C@H](CNC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334858 /nfs/dbraw/zinc/33/48/58/492334858.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 2 0 354.417 0.830 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000642102260 492334906 /nfs/dbraw/zinc/33/49/06/492334906.db2.gz XPQLMPGITKJSAP-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642119459 492336493 /nfs/dbraw/zinc/33/64/93/492336493.db2.gz RPCWAYJGDJTONB-ARFHVFGLSA-N 2 0 368.522 0.578 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCCCC1 ZINC000642220608 492342687 /nfs/dbraw/zinc/34/26/87/492342687.db2.gz TWZNUGQAYJUZRZ-GOSISDBHSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254044 492345147 /nfs/dbraw/zinc/34/51/47/492345147.db2.gz ZZWGOIXOAXTKAN-AEFFLSMTSA-N 2 0 358.486 0.868 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253918 492345669 /nfs/dbraw/zinc/34/56/69/492345669.db2.gz QMXKHWCEJSUFNV-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642253875 492345711 /nfs/dbraw/zinc/34/57/11/492345711.db2.gz ODYHQMFZULPSSK-QRVBRYPASA-N 2 0 370.497 0.693 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642254038 492345810 /nfs/dbraw/zinc/34/58/10/492345810.db2.gz ZYOBDBGWUPOXPN-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253883 492346004 /nfs/dbraw/zinc/34/60/04/492346004.db2.gz OMKFOMYOLSMNPX-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000642439518 492357563 /nfs/dbraw/zinc/35/75/63/492357563.db2.gz KHYJSYKKVCRUTD-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000642489024 492359591 /nfs/dbraw/zinc/35/95/91/492359591.db2.gz VWNZMZXPYCCSJM-ZWNOBZJWSA-N 2 0 360.380 0.888 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCCCCC1 ZINC000642529979 492362288 /nfs/dbraw/zinc/36/22/88/492362288.db2.gz URLCWPWOTPURDV-ULQDDVLXSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000642550367 492363442 /nfs/dbraw/zinc/36/34/42/492363442.db2.gz FNWHTOIJUIWRRB-CGTJXYLNSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640654 492368273 /nfs/dbraw/zinc/36/82/73/492368273.db2.gz FFKRFDSRNZYNEO-DZOHQFGASA-N 2 0 358.486 0.867 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640736 492368957 /nfs/dbraw/zinc/36/89/57/492368957.db2.gz PTFSXPVUZWAJAL-OKZBNKHCSA-N 2 0 358.486 0.820 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640947 492369335 /nfs/dbraw/zinc/36/93/35/492369335.db2.gz PTJDFMFARRXVRT-KBAYOESNSA-N 2 0 356.470 0.491 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000642712278 492377234 /nfs/dbraw/zinc/37/72/34/492377234.db2.gz FKHZJFBIKIBOOA-CHWSQXEVSA-N 2 0 365.453 0.218 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642731514 492381931 /nfs/dbraw/zinc/38/19/31/492381931.db2.gz XWMAJBUQDQREGY-SFHVURJKSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642733046 492382361 /nfs/dbraw/zinc/38/23/61/492382361.db2.gz TTYPVGDNZMHVOT-QAPCUYQASA-N 2 0 374.485 0.126 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642732681 492382531 /nfs/dbraw/zinc/38/25/31/492382531.db2.gz OREGKWPICGQPHH-TWMKSMIVSA-N 2 0 350.507 0.681 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642732906 492382709 /nfs/dbraw/zinc/38/27/09/492382709.db2.gz AGQIQCQLEJYRHM-ROUUACIJSA-N 2 0 374.485 0.434 20 0 FCADRP CC1([NH3+])CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000647925452 492383529 /nfs/dbraw/zinc/38/35/29/492383529.db2.gz JJSMSMWGTBVDRV-UHFFFAOYSA-N 2 0 368.503 0.196 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976676 492389829 /nfs/dbraw/zinc/38/98/29/492389829.db2.gz RVZAHGCPERDCCS-DJIMGWMZSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785832 492391871 /nfs/dbraw/zinc/39/18/71/492391871.db2.gz MMFGTEQXAUUNSX-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000642801801 492395710 /nfs/dbraw/zinc/39/57/10/492395710.db2.gz FNMAXHZHPSHMHO-MAUKXSAKSA-N 2 0 374.485 0.342 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000642808974 492396763 /nfs/dbraw/zinc/39/67/63/492396763.db2.gz VVOIDOFVIDTAGS-QGZVFWFLSA-N 2 0 364.465 0.830 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000642898762 492398298 /nfs/dbraw/zinc/39/82/98/492398298.db2.gz AWXAIXYNPWMFJO-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000648105474 492398795 /nfs/dbraw/zinc/39/87/95/492398795.db2.gz BIWYMQSHFAMHCF-IHRRRGAJSA-N 2 0 358.433 0.338 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642908236 492401672 /nfs/dbraw/zinc/40/16/72/492401672.db2.gz MEIHWTYYWFOAPL-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000642981233 492410045 /nfs/dbraw/zinc/41/00/45/492410045.db2.gz WZHRPFPZVBDAPA-SFHVURJKSA-N 2 0 358.486 0.979 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980457 492410161 /nfs/dbraw/zinc/41/01/61/492410161.db2.gz DUHOOJHAOKCWRU-HNNXBMFYSA-N 2 0 352.504 0.897 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980458 492410641 /nfs/dbraw/zinc/41/06/41/492410641.db2.gz DUHOOJHAOKCWRU-OAHLLOKOSA-N 2 0 352.504 0.897 20 0 FCADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000648177849 492413038 /nfs/dbraw/zinc/41/30/38/492413038.db2.gz XTSIQOPPFAKPHR-IRXDYDNUSA-N 2 0 361.490 0.707 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643014737 492414801 /nfs/dbraw/zinc/41/48/01/492414801.db2.gz UPXBEKZFXFQWDE-DIKXUDHVSA-N 2 0 374.529 0.966 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838219 492421600 /nfs/dbraw/zinc/42/16/00/492421600.db2.gz ABEXMXMCBPGSPU-PXNSSMCTSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000621840270 492422899 /nfs/dbraw/zinc/42/28/99/492422899.db2.gz GEELJVGJDQVWLG-OXQOHEQNSA-N 2 0 371.485 0.502 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843812 492424741 /nfs/dbraw/zinc/42/47/41/492424741.db2.gz LXTSJZMVMWMXCM-YYAJDYIMSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621844885 492425143 /nfs/dbraw/zinc/42/51/43/492425143.db2.gz YTJKJMKYTVOFEA-RXVVDRJESA-N 2 0 370.497 0.891 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026535 492442779 /nfs/dbraw/zinc/44/27/79/492442779.db2.gz MDKQKNLZXNNEKI-LPHOPBHVSA-N 2 0 350.507 0.905 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556363 492455494 /nfs/dbraw/zinc/45/54/94/492455494.db2.gz MADAKBSDRYUGQM-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000635489868 492457779 /nfs/dbraw/zinc/45/77/79/492457779.db2.gz ZHRMUVHPMBBPKI-GOSISDBHSA-N 2 0 360.502 0.865 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000628103548 492463587 /nfs/dbraw/zinc/46/35/87/492463587.db2.gz IXDWZXFZQVCGCM-SFHVURJKSA-N 2 0 374.485 0.794 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000628104715 492465499 /nfs/dbraw/zinc/46/54/99/492465499.db2.gz BLDMRVXTDLDMIF-SFHVURJKSA-N 2 0 374.485 0.446 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648887080 492470418 /nfs/dbraw/zinc/47/04/18/492470418.db2.gz LZLWTYIRGIESSO-MUIFIZLQSA-N 2 0 350.507 0.726 20 0 FCADRP O=C(C[C@H]1CCC(=O)NC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000622339164 492471406 /nfs/dbraw/zinc/47/14/06/492471406.db2.gz KIGHJJLDLQFRPX-MRXNPFEDSA-N 2 0 359.474 0.626 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635557994 492472514 /nfs/dbraw/zinc/47/25/14/492472514.db2.gz GJVHIMXRLNYGQE-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000643482938 492476812 /nfs/dbraw/zinc/47/68/12/492476812.db2.gz DSHAHPNUEZHWKE-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483266 492477117 /nfs/dbraw/zinc/47/71/17/492477117.db2.gz CXXJOWUYWKCBKF-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483268 492477304 /nfs/dbraw/zinc/47/73/04/492477304.db2.gz CXXJOWUYWKCBKF-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000643483143 492477572 /nfs/dbraw/zinc/47/75/72/492477572.db2.gz LMJKOLNUUYDJNK-HOCLYGCPSA-N 2 0 352.479 0.038 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643486972 492479075 /nfs/dbraw/zinc/47/90/75/492479075.db2.gz NJHZJUDEXRHHGA-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635601560 492479557 /nfs/dbraw/zinc/47/95/57/492479557.db2.gz AQUUDLKMOHMQOE-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000643494316 492481436 /nfs/dbraw/zinc/48/14/36/492481436.db2.gz QIUUZQVHILCFEG-GDBMZVCRSA-N 2 0 366.462 0.053 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000643503477 492483979 /nfs/dbraw/zinc/48/39/79/492483979.db2.gz DKHLBUWGRXATCV-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C[C@H]1[NH3+] ZINC000643509829 492484655 /nfs/dbraw/zinc/48/46/55/492484655.db2.gz XTMWJLJXCBWYRC-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000643515280 492487202 /nfs/dbraw/zinc/48/72/02/492487202.db2.gz AYAOVAAPPMRXST-SJORKVTESA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCO1 ZINC000643516174 492487303 /nfs/dbraw/zinc/48/73/03/492487303.db2.gz WMXAZCSMGVIKJQ-ODZFXCKXSA-N 2 0 366.506 0.284 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000643524378 492490328 /nfs/dbraw/zinc/49/03/28/492490328.db2.gz NUJNSKPPKYSXJC-ZBFHGGJFSA-N 2 0 350.463 0.756 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643525114 492490776 /nfs/dbraw/zinc/49/07/76/492490776.db2.gz WWMNKSIOBXNMIZ-AEFFLSMTSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531827 492491344 /nfs/dbraw/zinc/49/13/44/492491344.db2.gz OXFUIBRWLBMHFA-CGTJXYLNSA-N 2 0 358.486 0.915 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643549768 492496635 /nfs/dbraw/zinc/49/66/35/492496635.db2.gz NVZNFQVKQVMFQZ-BURFUSLBSA-N 2 0 360.502 0.672 20 0 FCADRP CC[NH+](CC)CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000635735386 492499478 /nfs/dbraw/zinc/49/94/78/492499478.db2.gz FETXHPYRNCNIJS-OAHLLOKOSA-N 2 0 359.536 0.686 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000643580972 492499693 /nfs/dbraw/zinc/49/96/93/492499693.db2.gz ILTIVRCEDGDTND-KRWDZBQOSA-N 2 0 350.507 0.923 20 0 FCADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000635780203 492504811 /nfs/dbraw/zinc/50/48/11/492504811.db2.gz UBTNHEINKJJJBC-KRWDZBQOSA-N 2 0 351.491 0.689 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])Cc2ccccc2)C1 ZINC000649280801 492520116 /nfs/dbraw/zinc/52/01/16/492520116.db2.gz MJUGQHLWJPGDHG-IBGZPJMESA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656028445 492521126 /nfs/dbraw/zinc/52/11/26/492521126.db2.gz LFCMMPJSRIRRIM-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656028693 492521531 /nfs/dbraw/zinc/52/15/31/492521531.db2.gz OTGUKGLILHLKQA-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656028444 492521726 /nfs/dbraw/zinc/52/17/26/492521726.db2.gz LFCMMPJSRIRRIM-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000649296012 492524896 /nfs/dbraw/zinc/52/48/96/492524896.db2.gz SCZRKCKAZNDHEE-SFHVURJKSA-N 2 0 374.485 0.840 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649314166 492529967 /nfs/dbraw/zinc/52/99/67/492529967.db2.gz PMBURDVTAOHQEC-PIIMJCKOSA-N 2 0 356.470 0.830 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315707 492530237 /nfs/dbraw/zinc/53/02/37/492530237.db2.gz CVERYRYLMXDELH-HZPDHXFCSA-N 2 0 360.458 0.558 20 0 FCADRP Cc1coc(CC(=O)N[C@@H](C)C[NH+](C)C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000635930022 492530271 /nfs/dbraw/zinc/53/02/71/492530271.db2.gz ZPMDWSSYLHVQEU-KBPBESRZSA-N 2 0 352.479 0.877 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334016 492537387 /nfs/dbraw/zinc/53/73/87/492537387.db2.gz BUJJQWRNZYLUPU-INIZCTEOSA-N 2 0 360.506 0.247 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c2ccccc2O1 ZINC000649347461 492542999 /nfs/dbraw/zinc/54/29/99/492542999.db2.gz YOAICBFHWWKNNQ-GJZGRUSLSA-N 2 0 360.458 0.682 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351823 492544246 /nfs/dbraw/zinc/54/42/46/492544246.db2.gz VICIUASEVLIDLP-HUUCEWRRSA-N 2 0 364.465 0.991 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000649357783 492547084 /nfs/dbraw/zinc/54/70/84/492547084.db2.gz JZUCXPCROOJFLN-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CN(CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649409577 492551419 /nfs/dbraw/zinc/55/14/19/492551419.db2.gz PDFNKIZEDFTGIT-UHFFFAOYSA-N 2 0 373.545 0.736 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000649473521 492556263 /nfs/dbraw/zinc/55/62/63/492556263.db2.gz YBKALPSYNVWEQK-QEOTZNIISA-N 2 0 368.522 0.325 20 0 FCADRP CCn1nncc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623530473 492564394 /nfs/dbraw/zinc/56/43/94/492564394.db2.gz ZLCJOAAFLLOWIS-UHFFFAOYSA-N 2 0 372.477 0.705 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000656297461 492575909 /nfs/dbraw/zinc/57/59/09/492575909.db2.gz CDDNCQXPFKDTRT-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289639 492576857 /nfs/dbraw/zinc/57/68/57/492576857.db2.gz XQRBOJOROJLBPW-SJORKVTESA-N 2 0 351.491 0.953 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000656300260 492577057 /nfs/dbraw/zinc/57/70/57/492577057.db2.gz MZYRDHDUGZXHCX-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656300830 492577391 /nfs/dbraw/zinc/57/73/91/492577391.db2.gz DLUIRNBYJKAETE-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728586 492588563 /nfs/dbraw/zinc/58/85/63/492588563.db2.gz RODPAWLAFOOMDI-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)[NH+](C)C)c1 ZINC000636473403 492595021 /nfs/dbraw/zinc/59/50/21/492595021.db2.gz ZOSBGQBVUWYXFZ-NVXWUHKLSA-N 2 0 350.463 0.664 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359331 492612971 /nfs/dbraw/zinc/61/29/71/492612971.db2.gz OUEBTLFRKWJBCN-QZTJIDSGSA-N 2 0 371.485 0.863 20 0 FCADRP C[NH+]1CCCC[C@@H]1C(=O)N1CC2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2C1 ZINC000650399927 492638580 /nfs/dbraw/zinc/63/85/80/492638580.db2.gz GKJIDUKDTKHNBT-OPQOLIRYSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(CC(=O)NC[C@@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000644062162 492642772 /nfs/dbraw/zinc/64/27/72/492642772.db2.gz BRXBGROFCACKRX-KRWDZBQOSA-N 2 0 368.522 0.044 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629569518 492647757 /nfs/dbraw/zinc/64/77/57/492647757.db2.gz XOWSEIOXQJQIAC-KRWDZBQOSA-N 3 0 354.539 0.659 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668682 492654690 /nfs/dbraw/zinc/65/46/90/492654690.db2.gz PLZSUIBKSAORCY-DOTOQJQBSA-N 2 0 369.469 0.921 20 0 FCADRP CCC1(N2CCOCC2)CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000629661748 492662590 /nfs/dbraw/zinc/66/25/90/492662590.db2.gz CGINLLVTDOOMAS-QGZVFWFLSA-N 2 0 352.523 0.761 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225678 492672753 /nfs/dbraw/zinc/67/27/53/492672753.db2.gz HLNBESPZIIRFFN-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000629794359 492674815 /nfs/dbraw/zinc/67/48/15/492674815.db2.gz TYOLIKQQLOZELG-UHFFFAOYSA-N 2 0 356.417 0.662 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629796784 492676465 /nfs/dbraw/zinc/67/64/65/492676465.db2.gz SNBOSQKXSZABFW-UPJWGTAASA-N 2 0 364.412 0.525 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000629815655 492685826 /nfs/dbraw/zinc/68/58/26/492685826.db2.gz RINSWYYILISMEG-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000629813961 492686043 /nfs/dbraw/zinc/68/60/43/492686043.db2.gz FOXQSFLMRIQWLV-DLBZAZTESA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629815306 492686302 /nfs/dbraw/zinc/68/63/02/492686302.db2.gz NSDWAUAITPZSDH-NXHRZFHOSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](O)C2)C1 ZINC000644276162 492688542 /nfs/dbraw/zinc/68/85/42/492688542.db2.gz XGCZJLYZQQTERS-MLHJIOFPSA-N 2 0 368.522 0.630 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636795559 492696079 /nfs/dbraw/zinc/69/60/79/492696079.db2.gz MMZJDVJBOARRHR-GVDBMIGSSA-N 2 0 356.511 0.489 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(C)n1C ZINC000624943740 492700951 /nfs/dbraw/zinc/70/09/51/492700951.db2.gz QRAVLQZWZPJUBP-OAHLLOKOSA-N 2 0 357.524 0.765 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636987747 492743719 /nfs/dbraw/zinc/74/37/19/492743719.db2.gz CEAGAMWMNOWCAA-MRXNPFEDSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000630722762 492769840 /nfs/dbraw/zinc/76/98/40/492769840.db2.gz FUEBPJUPTDGIMD-UHFFFAOYSA-N 2 0 372.473 0.988 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630879728 492781181 /nfs/dbraw/zinc/78/11/81/492781181.db2.gz MXETWEZUWCUKOB-GOSISDBHSA-N 3 0 364.538 0.933 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000644562714 492786130 /nfs/dbraw/zinc/78/61/30/492786130.db2.gz LXPNLJPAYRHACD-QRVBRYPASA-N 2 0 356.555 0.464 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000637375603 492814747 /nfs/dbraw/zinc/81/47/47/492814747.db2.gz OBLQEHRSQWEFTQ-IRXDYDNUSA-N 2 0 365.522 0.700 20 0 FCADRP CC(C)[NH+]1CCC(N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631711618 492839045 /nfs/dbraw/zinc/83/90/45/492839045.db2.gz OSMDPVKNYFGCEU-UHFFFAOYSA-N 2 0 360.568 0.758 20 0 FCADRP CN(C)C1(CS(=O)(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000631724540 492841387 /nfs/dbraw/zinc/84/13/87/492841387.db2.gz RVVWXXMSUVZNQQ-UHFFFAOYSA-N 2 0 366.531 0.822 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631813721 492857784 /nfs/dbraw/zinc/85/77/84/492857784.db2.gz SGUKDBNZRBSVQH-UHFFFAOYSA-N 2 0 374.551 0.192 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813456 492868960 /nfs/dbraw/zinc/86/89/60/492868960.db2.gz AGCQIAICGVWOIS-IBGZPJMESA-N 2 0 372.513 0.831 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000637868236 492873094 /nfs/dbraw/zinc/87/30/94/492873094.db2.gz WFVAKIKUUHATTH-BLLLJJGKSA-N 2 0 361.446 0.492 20 0 FCADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631935984 492891067 /nfs/dbraw/zinc/89/10/67/492891067.db2.gz PXLPVSIGAJAQHI-ZDUSSCGKSA-N 2 0 372.457 0.228 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000631945145 492894833 /nfs/dbraw/zinc/89/48/33/492894833.db2.gz PYBVXPMLJJOOAX-GOEBONIOSA-N 2 0 356.467 0.481 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1 ZINC000631945277 492895147 /nfs/dbraw/zinc/89/51/47/492895147.db2.gz UNOXGYLBNLQAKK-MRXNPFEDSA-N 2 0 352.504 0.344 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638091838 492903334 /nfs/dbraw/zinc/90/33/34/492903334.db2.gz CUFCONBPFYJRIR-INIZCTEOSA-N 2 0 359.474 0.228 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000638097167 492904320 /nfs/dbraw/zinc/90/43/20/492904320.db2.gz BLMKEVXTKOXHTK-GOSISDBHSA-N 2 0 374.485 0.332 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116185 492909421 /nfs/dbraw/zinc/90/94/21/492909421.db2.gz HRBHIXKZDUNYMX-APWZRJJASA-N 2 0 360.502 0.850 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652362743 492915964 /nfs/dbraw/zinc/91/59/64/492915964.db2.gz NUIWHKVMSVQKOU-TVFCKZIOSA-N 2 0 366.506 0.474 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000638149174 492918940 /nfs/dbraw/zinc/91/89/40/492918940.db2.gz QBLXAFGDVZECNV-OLMNPRSZSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632084407 492925698 /nfs/dbraw/zinc/92/56/98/492925698.db2.gz BHBMZEPGVWHWAE-FGTMMUONSA-N 2 0 374.595 0.910 20 0 FCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349288 492939270 /nfs/dbraw/zinc/93/92/70/492939270.db2.gz ZWSRJSFYQFMVIG-ARFHVFGLSA-N 2 0 351.495 0.497 20 0 FCADRP CC(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000638351025 492939639 /nfs/dbraw/zinc/93/96/39/492939639.db2.gz CDCPNKLKRKOTHA-QGZVFWFLSA-N 2 0 354.520 0.696 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349561 492939661 /nfs/dbraw/zinc/93/96/61/492939661.db2.gz QCSMXDMBRSLNPR-JKSUJKDBSA-N 2 0 365.522 0.711 20 0 FCADRP C[NH+](C)CCC1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632184229 492946552 /nfs/dbraw/zinc/94/65/52/492946552.db2.gz BJBCNWYPAJULBZ-UHFFFAOYSA-N 2 0 360.568 0.617 20 0 FCADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638480833 492952680 /nfs/dbraw/zinc/95/26/80/492952680.db2.gz BBNPOKLVAHBURE-MRXNPFEDSA-N 2 0 368.503 0.366 20 0 FCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000638587870 492963061 /nfs/dbraw/zinc/96/30/61/492963061.db2.gz IEKNWVUSHFMNFV-HNNXBMFYSA-N 2 0 352.504 0.592 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000638602101 492964751 /nfs/dbraw/zinc/96/47/51/492964751.db2.gz KPRDKKAKUDKPNI-UHFFFAOYSA-N 2 0 361.490 0.675 20 0 FCADRP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000645781529 492974373 /nfs/dbraw/zinc/97/43/73/492974373.db2.gz VWVRLQIQYRBTPS-CRAIPNDOSA-N 2 0 358.486 0.808 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000652644620 492977530 /nfs/dbraw/zinc/97/75/30/492977530.db2.gz DJOOJULLXLFJFD-OAHLLOKOSA-N 2 0 359.474 0.780 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000638855701 492982561 /nfs/dbraw/zinc/98/25/61/492982561.db2.gz HUQRLONJIAZAHD-CJNGLKHVSA-N 2 0 374.489 0.302 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1=O ZINC000638856231 492982849 /nfs/dbraw/zinc/98/28/49/492982849.db2.gz LJIOYNFBEFLOSU-IAGOWNOFSA-N 2 0 374.489 0.233 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc4c3CC[NH2+]C4)CC2)C1=O ZINC000638856962 492982866 /nfs/dbraw/zinc/98/28/66/492982866.db2.gz VJFBGKBMSCXFGD-SFHVURJKSA-N 2 0 356.470 0.757 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000652671929 492984179 /nfs/dbraw/zinc/98/41/79/492984179.db2.gz TUTREKXMGZWADL-IAGOWNOFSA-N 2 0 366.506 0.068 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000632369272 492984995 /nfs/dbraw/zinc/98/49/95/492984995.db2.gz NQRFYEGJESTHHO-ZFWWWQNUSA-N 2 0 357.524 0.775 20 0 FCADRP C[C@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638905400 492985916 /nfs/dbraw/zinc/98/59/16/492985916.db2.gz OLHWJCBTKGNXSI-RDTXWAMCSA-N 2 0 354.458 0.957 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)C1 ZINC000652677317 492986325 /nfs/dbraw/zinc/98/63/25/492986325.db2.gz XRPQTSHSPZDFDY-IVSAIRAKSA-N 2 0 364.490 0.084 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652676948 492986523 /nfs/dbraw/zinc/98/65/23/492986523.db2.gz LHIXJGVYPBSIJR-QXSJWSMHSA-N 2 0 354.495 0.188 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000652681998 492989085 /nfs/dbraw/zinc/98/90/85/492989085.db2.gz ZUQGMXHYMZBHNB-UHFFFAOYSA-N 2 0 373.501 0.668 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684082 492989681 /nfs/dbraw/zinc/98/96/81/492989681.db2.gz FJJOXYNXPZJXKF-UXLLHSPISA-N 2 0 366.506 0.332 20 0 FCADRP CCN(CC)S(=O)(=O)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986529 492990379 /nfs/dbraw/zinc/99/03/79/492990379.db2.gz SGXKNZXOZKYTGT-UHFFFAOYSA-N 2 0 355.464 0.101 20 0 FCADRP CN1CC(=O)N(CCCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1=O ZINC000638987532 492990632 /nfs/dbraw/zinc/99/06/32/492990632.db2.gz UFFOKEPFSREVBU-UHFFFAOYSA-N 2 0 360.418 0.104 20 0 FCADRP CS(=O)(=O)N1CCC(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000638987412 492990914 /nfs/dbraw/zinc/99/09/14/492990914.db2.gz HXJAGXIVONSYHO-UHFFFAOYSA-N 2 0 367.475 0.101 20 0 FCADRP COCCn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1=O ZINC000638988605 492991609 /nfs/dbraw/zinc/99/16/09/492991609.db2.gz ZOZRCRDYJCBZPZ-UHFFFAOYSA-N 2 0 357.414 0.552 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009475 493000396 /nfs/dbraw/zinc/00/03/96/493000396.db2.gz MDSDRMPXTDVPRX-PZJWPPBQSA-N 2 0 372.513 0.440 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646009627 493001530 /nfs/dbraw/zinc/00/15/30/493001530.db2.gz YCLMNHIBKHYBPN-KURKYZTESA-N 2 0 352.523 0.535 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730374 493008241 /nfs/dbraw/zinc/00/82/41/493008241.db2.gz VYEUPQNIJCSENI-BBWFWOEESA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[NH+]1CCN(C)CC1 ZINC000646107802 493012684 /nfs/dbraw/zinc/01/26/84/493012684.db2.gz BUTMWEJZDQTGIU-QZTJIDSGSA-N 2 0 362.522 0.809 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105721 493013228 /nfs/dbraw/zinc/01/32/28/493013228.db2.gz FCSSWIXLYXLXBM-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000632539431 493024960 /nfs/dbraw/zinc/02/49/60/493024960.db2.gz HNHJEKAVZVNPQF-IRXDYDNUSA-N 2 0 358.552 0.560 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000626854950 493038281 /nfs/dbraw/zinc/03/82/81/493038281.db2.gz ONEUYDVQLXPBGP-UHFFFAOYSA-N 2 0 361.490 0.570 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)CC2)c1 ZINC000653124617 493074489 /nfs/dbraw/zinc/07/44/89/493074489.db2.gz CFLADYQLTDXNJB-IBGZPJMESA-N 2 0 361.534 0.902 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653125092 493075927 /nfs/dbraw/zinc/07/59/27/493075927.db2.gz SKVBZHKWFLWQAL-PXNSSMCTSA-N 2 0 358.486 0.999 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653124826 493076030 /nfs/dbraw/zinc/07/60/30/493076030.db2.gz IIDPHDCVRDBGJH-LJQANCHMSA-N 2 0 367.582 0.920 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000653147843 493077108 /nfs/dbraw/zinc/07/71/08/493077108.db2.gz CIAVRQMDWILJCK-HZPDHXFCSA-N 2 0 359.536 0.734 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CCC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000653147842 493077348 /nfs/dbraw/zinc/07/73/48/493077348.db2.gz CIAVRQMDWILJCK-HOTGVXAUSA-N 2 0 359.536 0.734 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CC[NH2+]CC1 ZINC000632868767 493094272 /nfs/dbraw/zinc/09/42/72/493094272.db2.gz LIIFNYAQXIQREB-ZDUSSCGKSA-N 2 0 351.472 0.317 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000632961935 493098132 /nfs/dbraw/zinc/09/81/32/493098132.db2.gz WTOUDNJLQWKLPM-KRWDZBQOSA-N 2 0 361.494 0.661 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000653356871 493099592 /nfs/dbraw/zinc/09/95/92/493099592.db2.gz AENVZNQREVZRNQ-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029064 493106373 /nfs/dbraw/zinc/10/63/73/493106373.db2.gz PFXDKSKLHWPQMD-GJZGRUSLSA-N 2 0 360.458 0.918 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000633040449 493108475 /nfs/dbraw/zinc/10/84/75/493108475.db2.gz XMQBCTHSIDJFSU-WBVHZDCISA-N 2 0 373.501 0.711 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)c2)CC1 ZINC000633039566 493108789 /nfs/dbraw/zinc/10/87/89/493108789.db2.gz LNYBEDBNOLBAQK-CABCVRRESA-N 2 0 359.474 0.715 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000627227407 493110317 /nfs/dbraw/zinc/11/03/17/493110317.db2.gz IXHMKPHQVYSVLW-KRWDZBQOSA-N 2 0 361.494 0.972 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000627228175 493110941 /nfs/dbraw/zinc/11/09/41/493110941.db2.gz HZXNKAZRJWDNOR-DLBZAZTESA-N 2 0 361.494 0.972 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000627235553 493114495 /nfs/dbraw/zinc/11/44/95/493114495.db2.gz UFUHGODIGVQSRG-JKSUJKDBSA-N 2 0 361.494 0.732 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259003 493120894 /nfs/dbraw/zinc/12/08/94/493120894.db2.gz KOARIVQYBNKJFM-MSOLQXFVSA-N 2 0 373.501 0.261 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000633099009 493124366 /nfs/dbraw/zinc/12/43/66/493124366.db2.gz PAOQNUSQXKRHEM-SZMVWBNQSA-N 2 0 356.470 0.682 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117709 493133324 /nfs/dbraw/zinc/13/33/24/493133324.db2.gz FPQZIBCRMSTKAF-LEUOFYLZSA-N 2 0 356.470 0.667 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000633143515 493135750 /nfs/dbraw/zinc/13/57/50/493135750.db2.gz MJVAQLDGZXKWOE-DOTOQJQBSA-N 2 0 366.506 0.286 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627291901 493136707 /nfs/dbraw/zinc/13/67/07/493136707.db2.gz HPXXYLCGENYDHX-IRXDYDNUSA-N 2 0 362.474 0.073 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627292045 493136731 /nfs/dbraw/zinc/13/67/31/493136731.db2.gz KNTNLVDCXXTTSX-KBPBESRZSA-N 2 0 366.487 0.106 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000627292835 493136873 /nfs/dbraw/zinc/13/68/73/493136873.db2.gz FBIXQFPLQFOFQN-ROUUACIJSA-N 2 0 360.502 0.732 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647025686 493148276 /nfs/dbraw/zinc/14/82/76/493148276.db2.gz DZFNITJVPLRAJC-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000659110846 493158198 /nfs/dbraw/zinc/15/81/98/493158198.db2.gz DJXULMZDLQRMMD-AWEZNQCLSA-N 2 0 364.515 0.941 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659110568 493158903 /nfs/dbraw/zinc/15/89/03/493158903.db2.gz MVKXIIOQUOEAKN-UHFFFAOYSA-N 2 0 372.429 0.266 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627339116 493161207 /nfs/dbraw/zinc/16/12/07/493161207.db2.gz ZJPMOKCYBPTAND-QGZVFWFLSA-N 2 0 362.474 0.248 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647092066 493162504 /nfs/dbraw/zinc/16/25/04/493162504.db2.gz XTAZZPRVZPPYFS-ULQDDVLXSA-N 2 0 357.458 0.433 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CN3CC[NH+](C)CC3)nn2)CC1 ZINC000641047871 493164290 /nfs/dbraw/zinc/16/42/90/493164290.db2.gz QLCMSCJVESRMNM-UHFFFAOYSA-N 2 0 363.510 0.015 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627345996 493166609 /nfs/dbraw/zinc/16/66/09/493166609.db2.gz BHQMGUHQOHLOSQ-QWHCGFSZSA-N 2 0 366.428 0.820 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000627351600 493170621 /nfs/dbraw/zinc/17/06/21/493170621.db2.gz XIIYVMSACJIIFH-LSDHHAIUSA-N 2 0 368.503 0.352 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627365080 493180545 /nfs/dbraw/zinc/18/05/45/493180545.db2.gz FFQWCWVMALPWID-DGCLKSJQSA-N 2 0 364.412 0.573 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641215109 493181492 /nfs/dbraw/zinc/18/14/92/493181492.db2.gz MZWWLJOZUKLUOB-HXUWFJFHSA-N 2 0 372.517 0.737 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659451498 493181986 /nfs/dbraw/zinc/18/19/86/493181986.db2.gz FMJKIKPXFDTUTD-RHSMWYFYSA-N 2 0 361.490 0.791 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220172 493183619 /nfs/dbraw/zinc/18/36/19/493183619.db2.gz ABQCPZQZWRZJLV-ZBFHGGJFSA-N 2 0 353.854 0.919 20 0 FCADRP COCC[N@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220171 493183967 /nfs/dbraw/zinc/18/39/67/493183967.db2.gz ABQCPZQZWRZJLV-HOCLYGCPSA-N 2 0 353.854 0.919 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000659464026 493184704 /nfs/dbraw/zinc/18/47/04/493184704.db2.gz CYNNWHQHUCTFQV-UHFFFAOYSA-N 2 0 355.527 0.992 20 0 FCADRP COCC[C@H]([NH3+])Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230803 493185128 /nfs/dbraw/zinc/18/51/28/493185128.db2.gz UUAYYTMIGFGBQA-HKUYNNGSSA-N 2 0 359.474 0.821 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cnn1C ZINC000659296678 493187412 /nfs/dbraw/zinc/18/74/12/493187412.db2.gz ZUERGBCFRDGSIE-DLBZAZTESA-N 2 0 369.473 0.475 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627381292 493189318 /nfs/dbraw/zinc/18/93/18/493189318.db2.gz NUFKKQQNFVTZAK-SFHVURJKSA-N 2 0 373.501 0.871 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627381291 493189949 /nfs/dbraw/zinc/18/99/49/493189949.db2.gz NUFKKQQNFVTZAK-GOSISDBHSA-N 2 0 373.501 0.871 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303171 493192319 /nfs/dbraw/zinc/19/23/19/493192319.db2.gz LGKUKHWCWWSDLM-AWEZNQCLSA-N 2 0 355.508 0.482 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539572 493209154 /nfs/dbraw/zinc/20/91/54/493209154.db2.gz RKJRWKYOTHIMAD-STQMWFEESA-N 2 0 365.444 0.995 20 0 FCADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000666670332 493213149 /nfs/dbraw/zinc/21/31/49/493213149.db2.gz IRPPVVNDKDPEQI-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000659616518 493221134 /nfs/dbraw/zinc/22/11/34/493221134.db2.gz LPSSJVMEOHLVCP-AGYKMIKPSA-N 2 0 358.486 0.921 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630217 493223881 /nfs/dbraw/zinc/22/38/81/493223881.db2.gz GXOQQHRKBNGBQD-DOMZBBRYSA-N 2 0 360.462 0.799 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000666770452 493224229 /nfs/dbraw/zinc/22/42/29/493224229.db2.gz APVUZFUCYJTJKC-MRXNPFEDSA-N 2 0 358.442 0.708 20 0 FCADRP CCC[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CCOC ZINC000659631122 493224951 /nfs/dbraw/zinc/22/49/51/493224951.db2.gz RKYYDJQDDHKBNB-AWEZNQCLSA-N 2 0 366.466 0.283 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632146 493225041 /nfs/dbraw/zinc/22/50/41/493225041.db2.gz QKNCXBGHSLDPNZ-UHFFFAOYSA-N 2 0 364.475 0.976 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]2[NH3+])cn1 ZINC000659640755 493227175 /nfs/dbraw/zinc/22/71/75/493227175.db2.gz JCAFGZFMJBMZQJ-ZWKOTPCHSA-N 2 0 360.506 0.978 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659639558 493227409 /nfs/dbraw/zinc/22/74/09/493227409.db2.gz QFJUGJPSWIOYQM-OAHLLOKOSA-N 2 0 355.527 0.864 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000666796331 493227943 /nfs/dbraw/zinc/22/79/43/493227943.db2.gz WSKUJJXBTNBDLF-QGZVFWFLSA-N 2 0 373.501 0.583 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000672690920 493232647 /nfs/dbraw/zinc/23/26/47/493232647.db2.gz KAZOPQMSLDIRTE-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000672693429 493233514 /nfs/dbraw/zinc/23/35/14/493233514.db2.gz WKKFGYWFOJYYFL-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000672695471 493234232 /nfs/dbraw/zinc/23/42/32/493234232.db2.gz HLISZMHZDNVDLX-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000672695470 493234922 /nfs/dbraw/zinc/23/49/22/493234922.db2.gz HLISZMHZDNVDLX-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2N)C1 ZINC000666910970 493236292 /nfs/dbraw/zinc/23/62/92/493236292.db2.gz LCMWIUPNMRDDDF-GJZGRUSLSA-N 2 0 373.501 0.632 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2N)C1 ZINC000666910969 493236563 /nfs/dbraw/zinc/23/65/63/493236563.db2.gz LCMWIUPNMRDDDF-GASCZTMLSA-N 2 0 373.501 0.632 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000672722984 493239888 /nfs/dbraw/zinc/23/98/88/493239888.db2.gz MSRQMBYXZFDGQV-SOUVJXGZSA-N 2 0 356.511 0.304 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000659672429 493243532 /nfs/dbraw/zinc/24/35/32/493243532.db2.gz WBCBMRCKXFKBJU-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000666976899 493244284 /nfs/dbraw/zinc/24/42/84/493244284.db2.gz RWGMHJAHNQSNEP-MRXNPFEDSA-N 2 0 354.495 0.338 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659676175 493246583 /nfs/dbraw/zinc/24/65/83/493246583.db2.gz FPSGSOZCNPLYEE-MRXNPFEDSA-N 2 0 362.474 0.065 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659686505 493252360 /nfs/dbraw/zinc/25/23/60/493252360.db2.gz ZTNPUAOGSZTWKZ-MRXNPFEDSA-N 2 0 362.518 0.968 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672844858 493257911 /nfs/dbraw/zinc/25/79/11/493257911.db2.gz BRRPSBZXQIAKKL-UHFFFAOYSA-N 2 0 370.538 0.974 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659699173 493259948 /nfs/dbraw/zinc/25/99/48/493259948.db2.gz QWVACRFRLKSUHH-SJORKVTESA-N 2 0 367.538 0.106 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705940 493264372 /nfs/dbraw/zinc/26/43/72/493264372.db2.gz AATABYQLWQPMLW-IRXDYDNUSA-N 2 0 366.506 0.062 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659710104 493266842 /nfs/dbraw/zinc/26/68/42/493266842.db2.gz MLLGFDNHRGVSKY-UHFFFAOYSA-N 2 0 373.501 0.668 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659710397 493267243 /nfs/dbraw/zinc/26/72/43/493267243.db2.gz RCFHOYLAWGXYTP-KURKYZTESA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659710909 493267279 /nfs/dbraw/zinc/26/72/79/493267279.db2.gz UTPURBBEKGHAKS-QGZVFWFLSA-N 2 0 359.474 0.278 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711609 493267654 /nfs/dbraw/zinc/26/76/54/493267654.db2.gz BJYZTBWIIGECMB-GOSISDBHSA-N 2 0 358.486 0.630 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000641651553 493270859 /nfs/dbraw/zinc/27/08/59/493270859.db2.gz FKXRYFQLIBWAAQ-KBPBESRZSA-N 2 0 365.444 0.995 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659721935 493271796 /nfs/dbraw/zinc/27/17/96/493271796.db2.gz LRPLBTLMCOUXDV-GOSISDBHSA-N 2 0 373.501 0.668 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCn2cncc2C1 ZINC000641667620 493274007 /nfs/dbraw/zinc/27/40/07/493274007.db2.gz HEAZXCLSNUXETR-SJORKVTESA-N 2 0 361.490 0.358 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[NH2+]1 ZINC000659726674 493274531 /nfs/dbraw/zinc/27/45/31/493274531.db2.gz BDTPVENWCNAGDK-IYBDPMFKSA-N 2 0 373.501 0.619 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000659735035 493278800 /nfs/dbraw/zinc/27/88/00/493278800.db2.gz CITSUUIHWWZHSS-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659738030 493279585 /nfs/dbraw/zinc/27/95/85/493279585.db2.gz YARHFAGVVKMMAY-SQWLQELKSA-N 2 0 352.479 0.084 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000659754701 493286485 /nfs/dbraw/zinc/28/64/85/493286485.db2.gz GMMHRATVTYQUEF-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000659754151 493286524 /nfs/dbraw/zinc/28/65/24/493286524.db2.gz SRRKYWSBDHCFFD-CYBMUJFWSA-N 2 0 354.882 0.954 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)cn1 ZINC000667597797 493292057 /nfs/dbraw/zinc/29/20/57/493292057.db2.gz HSYURJJFRZCWKC-UHFFFAOYSA-N 2 0 364.494 0.751 20 0 FCADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673147335 493295909 /nfs/dbraw/zinc/29/59/09/493295909.db2.gz ZAUAAOCDPOOOEI-GOEBONIOSA-N 2 0 362.478 0.468 20 0 FCADRP CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000660028925 493316853 /nfs/dbraw/zinc/31/68/53/493316853.db2.gz YLBUCLZZKHXHLG-HNNXBMFYSA-N 2 0 357.524 0.824 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000668302260 493329536 /nfs/dbraw/zinc/32/95/36/493329536.db2.gz CITCCBDTUUMTHO-ZIAGYGMSSA-N 2 0 369.428 0.922 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668546450 493374133 /nfs/dbraw/zinc/37/41/33/493374133.db2.gz ZTZGRKSNHRGLTP-YESZJQIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668548019 493374146 /nfs/dbraw/zinc/37/41/46/493374146.db2.gz DFWIQYPRCJBVSH-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668546448 493374170 /nfs/dbraw/zinc/37/41/70/493374170.db2.gz ZTZGRKSNHRGLTP-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668546264 493374328 /nfs/dbraw/zinc/37/43/28/493374328.db2.gz WVYNFSVZBIRKIN-ZWKOTPCHSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCSC1 ZINC000660824093 493382308 /nfs/dbraw/zinc/38/23/08/493382308.db2.gz JXQMZXOIUQJEGZ-DOTOQJQBSA-N 2 0 356.536 0.976 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660840573 493384268 /nfs/dbraw/zinc/38/42/68/493384268.db2.gz ZKESLAISGIPCDB-QGZVFWFLSA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000674140577 493392843 /nfs/dbraw/zinc/39/28/43/493392843.db2.gz LCKWQDUOPYGIIB-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000661082806 493407921 /nfs/dbraw/zinc/40/79/21/493407921.db2.gz DEXIJEWFHUPRQP-SFHVURJKSA-N 2 0 353.507 0.744 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668796012 493412491 /nfs/dbraw/zinc/41/24/91/493412491.db2.gz IWBFQPJVBVVVIU-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843691 493419458 /nfs/dbraw/zinc/41/94/58/493419458.db2.gz WISDRFUEIIKOTE-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@@H+]1C ZINC000668892656 493429602 /nfs/dbraw/zinc/42/96/02/493429602.db2.gz IXUIRTNGNWYFBV-GDBMZVCRSA-N 2 0 359.474 0.897 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000669035300 493455654 /nfs/dbraw/zinc/45/56/54/493455654.db2.gz BYFRHXLSPGFRPK-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661675249 493456856 /nfs/dbraw/zinc/45/68/56/493456856.db2.gz YWSADYPTINHBSC-KRWDZBQOSA-N 2 0 359.474 0.671 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669135306 493467364 /nfs/dbraw/zinc/46/73/64/493467364.db2.gz DSEPTHXFYCVDGV-WMLDXEAASA-N 2 0 350.463 0.885 20 0 FCADRP CCC1(O)CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000685252025 493468685 /nfs/dbraw/zinc/46/86/85/493468685.db2.gz UNBBJOIWANSREX-UHFFFAOYSA-N 2 0 356.511 0.138 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661974330 493480082 /nfs/dbraw/zinc/48/00/82/493480082.db2.gz WQKMPIHUZSJUHX-QZTJIDSGSA-N 2 0 368.522 0.896 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661974331 493480172 /nfs/dbraw/zinc/48/01/72/493480172.db2.gz WQKMPIHUZSJUHX-ROUUACIJSA-N 2 0 368.522 0.896 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000669251726 493483215 /nfs/dbraw/zinc/48/32/15/493483215.db2.gz YOKNOJRFVCUPDP-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000669251730 493483772 /nfs/dbraw/zinc/48/37/72/493483772.db2.gz YOKNOJRFVCUPDP-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(CN1CCCN(c2nccc(N3CCOCC3)n2)CC1)N1CCCC1 ZINC000675720511 493499030 /nfs/dbraw/zinc/49/90/30/493499030.db2.gz WQNKASOHHRULNA-UHFFFAOYSA-N 2 0 374.489 0.448 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000685520003 493501108 /nfs/dbraw/zinc/50/11/08/493501108.db2.gz BNBJIQSRSZYMHI-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662261999 493501897 /nfs/dbraw/zinc/50/18/97/493501897.db2.gz RIICISXRCHTRON-GOSISDBHSA-N 2 0 364.534 0.774 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669417466 493502942 /nfs/dbraw/zinc/50/29/42/493502942.db2.gz CXIHGRXNHGBEHF-WBVHZDCISA-N 2 0 358.490 0.727 20 0 FCADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000662292047 493503990 /nfs/dbraw/zinc/50/39/90/493503990.db2.gz LGQCMUNGZLOFBZ-SFHVURJKSA-N 2 0 362.518 0.779 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000669442187 493504161 /nfs/dbraw/zinc/50/41/61/493504161.db2.gz OTTILEXFDGJZOK-OAHLLOKOSA-N 2 0 363.462 0.456 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000669452517 493504380 /nfs/dbraw/zinc/50/43/80/493504380.db2.gz HIMLSUWOSIXXDL-QGZVFWFLSA-N 2 0 361.490 0.919 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669462500 493505154 /nfs/dbraw/zinc/50/51/54/493505154.db2.gz QHJWDHQJUSYQLV-MAUKXSAKSA-N 2 0 364.490 0.927 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486544 493506164 /nfs/dbraw/zinc/50/61/64/493506164.db2.gz WGUUSAHWBPGZTK-DLBZAZTESA-N 2 0 353.511 0.210 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000669486487 493506237 /nfs/dbraw/zinc/50/62/37/493506237.db2.gz POQKIKHDUWZRCX-IXDOHACOSA-N 2 0 353.511 0.019 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000669486554 493506879 /nfs/dbraw/zinc/50/68/79/493506879.db2.gz YOIRNYNBEUTNPE-BZSNNMDCSA-N 2 0 367.538 0.457 20 0 FCADRP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338934 493507668 /nfs/dbraw/zinc/50/76/68/493507668.db2.gz XGGWODVPUGBGJV-AWEZNQCLSA-N 2 0 360.462 0.148 20 0 FCADRP C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH+](C)CC1 ZINC000669490648 493507749 /nfs/dbraw/zinc/50/77/49/493507749.db2.gz RQTJWBHAICJXRL-DOTOQJQBSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@H]1CN(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338478 493507982 /nfs/dbraw/zinc/50/79/82/493507982.db2.gz SASAQAYKUXIJRN-DLBZAZTESA-N 2 0 362.522 0.719 20 0 FCADRP COc1cccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCCC2)c1 ZINC000662343335 493508604 /nfs/dbraw/zinc/50/86/04/493508604.db2.gz ORVCTMFETMYTNP-KRWDZBQOSA-N 2 0 358.446 0.812 20 0 FCADRP Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662351816 493509257 /nfs/dbraw/zinc/50/92/57/493509257.db2.gz PAXUOEMSEIBTNC-CABCVRRESA-N 2 0 350.467 0.208 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)C[C@@H](C)O1 ZINC000662379675 493511071 /nfs/dbraw/zinc/51/10/71/493511071.db2.gz GYWGTTJSVRMSCE-HUUCEWRRSA-N 2 0 372.473 0.776 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000669570336 493511631 /nfs/dbraw/zinc/51/16/31/493511631.db2.gz SPEOGACJWXNDGG-SJORKVTESA-N 2 0 364.515 0.892 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000662402115 493513219 /nfs/dbraw/zinc/51/32/19/493513219.db2.gz XFMWROCNOUJKDZ-DOMZBBRYSA-N 2 0 362.396 0.199 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994314 493516657 /nfs/dbraw/zinc/51/66/57/493516657.db2.gz ABNRCCWGNBFPEB-RDJZCZTQSA-N 2 0 365.522 0.665 20 0 FCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462855 493517732 /nfs/dbraw/zinc/51/77/32/493517732.db2.gz OYERRJTVSVBEBT-IEBWSBKVSA-N 2 0 358.486 0.744 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cnn1C ZINC000662462276 493517998 /nfs/dbraw/zinc/51/79/98/493517998.db2.gz KJKBTPUWJBJZFF-YTQUADARSA-N 2 0 374.533 0.270 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662560036 493526011 /nfs/dbraw/zinc/52/60/11/493526011.db2.gz CRXHAGFUMKCVFR-CQSZACIVSA-N 2 0 363.462 0.601 20 0 FCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577356 493526638 /nfs/dbraw/zinc/52/66/38/493526638.db2.gz HKQJSJBLYUOWCK-BHYGNILZSA-N 2 0 365.522 0.744 20 0 FCADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662577007 493526664 /nfs/dbraw/zinc/52/66/64/493526664.db2.gz PNVNMJQBFAUMAW-ZBFHGGJFSA-N 2 0 360.458 0.982 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709232 493533906 /nfs/dbraw/zinc/53/39/06/493533906.db2.gz XWCJWORWLWCHKI-PVAVHDDUSA-N 2 0 360.458 0.686 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734560 493536075 /nfs/dbraw/zinc/53/60/75/493536075.db2.gz RGHDVRFZWLYLIC-DZGCQCFKSA-N 2 0 364.412 0.051 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755537 493539191 /nfs/dbraw/zinc/53/91/91/493539191.db2.gz CYWZHUSVPFWKAC-CEXWTWQISA-N 2 0 360.502 0.845 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)ccn2)CC1 ZINC000662757789 493539220 /nfs/dbraw/zinc/53/92/20/493539220.db2.gz NTZCAEDQKMPJTP-INIZCTEOSA-N 2 0 371.407 0.992 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757739 493539525 /nfs/dbraw/zinc/53/95/25/493539525.db2.gz LZPQDPYRTXQDCY-RTBURBONSA-N 2 0 360.502 0.804 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662755498 493539577 /nfs/dbraw/zinc/53/95/77/493539577.db2.gz CFOJIKNKILHBEW-RTBURBONSA-N 2 0 360.502 0.804 20 0 FCADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662758781 493540015 /nfs/dbraw/zinc/54/00/15/493540015.db2.gz TUJDNNADCIZWAU-RBUKOAKNSA-N 2 0 360.502 0.674 20 0 FCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101963 493545326 /nfs/dbraw/zinc/54/53/26/493545326.db2.gz HZJDDRQNIAGPFK-KBPBESRZSA-N 2 0 366.506 0.297 20 0 FCADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832501 493545391 /nfs/dbraw/zinc/54/53/91/493545391.db2.gz HKYDLYIMYACWBT-HZPDHXFCSA-N 2 0 362.478 0.357 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662858482 493547334 /nfs/dbraw/zinc/54/73/34/493547334.db2.gz IUWOBKKZCWLURS-KRWDZBQOSA-N 2 0 369.473 0.850 20 0 FCADRP COCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000662901340 493550046 /nfs/dbraw/zinc/55/00/46/493550046.db2.gz VNNRYYXEWLSIBY-QGZVFWFLSA-N 2 0 352.523 0.630 20 0 FCADRP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899143 493550179 /nfs/dbraw/zinc/55/01/79/493550179.db2.gz BXDLGWOZWFSPSQ-GOEBONIOSA-N 2 0 360.506 0.727 20 0 FCADRP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899145 493550188 /nfs/dbraw/zinc/55/01/88/493550188.db2.gz BXDLGWOZWFSPSQ-ZBFHGGJFSA-N 2 0 360.506 0.727 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662921503 493553417 /nfs/dbraw/zinc/55/34/17/493553417.db2.gz BVZCFOVCOHVVEJ-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)[C@H]2C1 ZINC000662944039 493558381 /nfs/dbraw/zinc/55/83/81/493558381.db2.gz HSOWQYLLYJUAOY-KURKYZTESA-N 2 0 362.518 0.777 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000662946719 493558971 /nfs/dbraw/zinc/55/89/71/493558971.db2.gz YIBGEEQDSYTTFB-UHFFFAOYSA-N 2 0 352.401 0.669 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000662950536 493559855 /nfs/dbraw/zinc/55/98/55/493559855.db2.gz MSFAXHMJMAPZPT-ZIFCJYIRSA-N 2 0 372.513 0.971 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662972179 493562592 /nfs/dbraw/zinc/56/25/92/493562592.db2.gz ANUSNDSQVUHSFY-MOPGFXCFSA-N 2 0 372.513 0.972 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000670670592 493586769 /nfs/dbraw/zinc/58/67/69/493586769.db2.gz HCDRBCNJCICJIN-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671908 493586901 /nfs/dbraw/zinc/58/69/01/493586901.db2.gz CLUQUCBQOJHAFB-NVXWUHKLSA-N 2 0 368.522 0.306 20 0 FCADRP c1nc2nc(=N[C@H]3CC[NH+](C4CC4)C3)cc(N[C@H]3CC[N@@H+](C4CC4)C3)n2[nH]1 ZINC000663425491 493588208 /nfs/dbraw/zinc/58/82/08/493588208.db2.gz RCSQGAKTBDACFN-KBPBESRZSA-N 2 0 368.489 0.843 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1F ZINC000663609060 493603593 /nfs/dbraw/zinc/60/35/93/493603593.db2.gz QARUCWDLKGHFNF-KRWDZBQOSA-N 2 0 352.410 0.573 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663613183 493604006 /nfs/dbraw/zinc/60/40/06/493604006.db2.gz CCXGLELWCDINNQ-LJQANCHMSA-N 2 0 359.474 0.241 20 0 FCADRP O=C1CCCN1[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000677738068 493614620 /nfs/dbraw/zinc/61/46/20/493614620.db2.gz BOPJTSRWCKDXRB-FKAFAWJWSA-N 2 0 360.502 0.936 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664027281 493631215 /nfs/dbraw/zinc/63/12/15/493631215.db2.gz YPOBYWKFULTHDR-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671104817 493634651 /nfs/dbraw/zinc/63/46/51/493634651.db2.gz RUYKYQBLKRWVDC-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104571 493634988 /nfs/dbraw/zinc/63/49/88/493634988.db2.gz WEPMBMPKUBKBLT-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671108379 493636379 /nfs/dbraw/zinc/63/63/79/493636379.db2.gz XTPUUIWRUAQBTC-TWMKSMIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000671149690 493643865 /nfs/dbraw/zinc/64/38/65/493643865.db2.gz NTMGBAUPJRMBHP-OAHLLOKOSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170697 493645019 /nfs/dbraw/zinc/64/50/19/493645019.db2.gz DXHYJMYBGBCZPU-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000671404258 493666111 /nfs/dbraw/zinc/66/61/11/493666111.db2.gz CYKIYWBQDVTJDK-VYDXJSESSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@@H]1O ZINC000664625351 493673323 /nfs/dbraw/zinc/67/33/23/493673323.db2.gz MTPOXKULMYVNFE-SQNIBIBYSA-N 2 0 362.474 0.070 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556079 493723372 /nfs/dbraw/zinc/72/33/72/493723372.db2.gz QJKXWOMSLANYDO-HOTGVXAUSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C1CC[NH+](C)CC1 ZINC000672010081 493723956 /nfs/dbraw/zinc/72/39/56/493723956.db2.gz UBJRNQYJQBGFSZ-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010667 493723975 /nfs/dbraw/zinc/72/39/75/493723975.db2.gz XKPAEBLGCSYYKB-HOCLYGCPSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672010671 493724220 /nfs/dbraw/zinc/72/42/20/493724220.db2.gz XKPAEBLGCSYYKB-ZBFHGGJFSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014964 493724819 /nfs/dbraw/zinc/72/48/19/493724819.db2.gz ZMZDEXFCTOEYCN-UAGQMJEPSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672305056 493751865 /nfs/dbraw/zinc/75/18/65/493751865.db2.gz YQBNNMMPAUUDOA-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000672305813 493752004 /nfs/dbraw/zinc/75/20/04/493752004.db2.gz FCQFXXIHSLVKLC-MSOLQXFVSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310089 493753959 /nfs/dbraw/zinc/75/39/59/493753959.db2.gz GKBJMKITNJELDD-HOTGVXAUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310969 493754764 /nfs/dbraw/zinc/75/47/64/493754764.db2.gz QBLIUIOTAZCHEO-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672311972 493755099 /nfs/dbraw/zinc/75/50/99/493755099.db2.gz XMRKAKQMUZATNS-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672312509 493755401 /nfs/dbraw/zinc/75/54/01/493755401.db2.gz UQHJQSWWLXXAAU-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125461 493759337 /nfs/dbraw/zinc/75/93/37/493759337.db2.gz GWAFBUYONGVNJY-OXJNMPFZSA-N 2 0 372.469 0.195 20 0 FCADRP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000190214306 534362415 /nfs/dbraw/zinc/36/24/15/534362415.db2.gz IBSGBDQUZILSIM-CQSZACIVSA-N 2 0 352.483 0.754 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419960697 536449138 /nfs/dbraw/zinc/44/91/38/536449138.db2.gz WQTHEHQIKPPRTL-SJLPKXTDSA-N 2 0 360.502 0.939 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000430576429 536458115 /nfs/dbraw/zinc/45/81/15/536458115.db2.gz XGTLDDUXJWLHHJ-KRWDZBQOSA-N 2 0 352.523 0.822 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423595305 536466426 /nfs/dbraw/zinc/46/64/26/536466426.db2.gz PSHVLWSGLGXSCD-OAHLLOKOSA-N 2 0 350.463 0.770 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419444217 536496873 /nfs/dbraw/zinc/49/68/73/536496873.db2.gz CDEYZGCGTBOKPZ-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@H+](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000413233080 528492241 /nfs/dbraw/zinc/49/22/41/528492241.db2.gz UTZPHBBUOGVPOH-UHFFFAOYSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCN(C)CC1 ZINC000186862926 529003920 /nfs/dbraw/zinc/00/39/20/529003920.db2.gz SJDOGWQOYNXEAF-KRWDZBQOSA-N 2 0 355.527 0.280 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000411030771 529073624 /nfs/dbraw/zinc/07/36/24/529073624.db2.gz RUGXUDYUTJUGOW-ULQDDVLXSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419695577 535073362 /nfs/dbraw/zinc/07/33/62/535073362.db2.gz LAHDWQDVRZPFFK-HOTGVXAUSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419160570 535082524 /nfs/dbraw/zinc/08/25/24/535082524.db2.gz ZKYGAZHLTFUISC-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419384631 535083917 /nfs/dbraw/zinc/08/39/17/535083917.db2.gz BFMAVNAXOVDGKU-HDICACEKSA-N 2 0 370.497 0.617 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416834739 535159735 /nfs/dbraw/zinc/15/97/35/535159735.db2.gz SPEBEMGJKWYRBI-CQSZACIVSA-N 2 0 365.444 0.995 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423662645 535186587 /nfs/dbraw/zinc/18/65/87/535186587.db2.gz NJXOCADDPGNSMJ-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP CCCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419692301 535189870 /nfs/dbraw/zinc/18/98/70/535189870.db2.gz XVXLMGLRHVFBRP-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C1 ZINC000436297297 535211461 /nfs/dbraw/zinc/21/14/61/535211461.db2.gz XDEBETDQQOQLGL-WSTZPKSXSA-N 2 0 364.534 0.630 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419156173 535462782 /nfs/dbraw/zinc/46/27/82/535462782.db2.gz VAXWYFXTXXINDP-AWEZNQCLSA-N 2 0 352.504 0.802 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415363564 535463861 /nfs/dbraw/zinc/46/38/61/535463861.db2.gz DQFMFYUVQRTTDL-UHFFFAOYSA-N 2 0 356.854 0.945 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935707 535551609 /nfs/dbraw/zinc/55/16/09/535551609.db2.gz ASHFIDWAAJEICT-BBWFWOEESA-N 2 0 350.507 0.953 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419370464 535668930 /nfs/dbraw/zinc/66/89/30/535668930.db2.gz JPIIJHDKUBSJKE-OTWHNJEPSA-N 2 0 372.513 0.734 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000419897473 535714192 /nfs/dbraw/zinc/71/41/92/535714192.db2.gz YYWQQKACWUSKMX-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)c2)CC1 ZINC000415361407 535749307 /nfs/dbraw/zinc/74/93/07/535749307.db2.gz NBDLYIYYRPPVCG-KRWDZBQOSA-N 2 0 373.501 0.977 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000419667632 535839391 /nfs/dbraw/zinc/83/93/91/535839391.db2.gz XLFWYTNWRXCKBY-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423364104 535868144 /nfs/dbraw/zinc/86/81/44/535868144.db2.gz JLSRYEIUYHBKQQ-KRWDZBQOSA-N 2 0 352.504 0.836 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419218624 535903726 /nfs/dbraw/zinc/90/37/26/535903726.db2.gz SKVWDNVRLYRCOU-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1F ZINC000415303274 535905188 /nfs/dbraw/zinc/90/51/88/535905188.db2.gz OBRLOYGPNLZORN-UHFFFAOYSA-N 2 0 366.437 0.902 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000419402308 536123374 /nfs/dbraw/zinc/12/33/74/536123374.db2.gz CFSTZJIKNUDJGF-BBRMVZONSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580013 536141631 /nfs/dbraw/zinc/14/16/31/536141631.db2.gz HWNQVGFWIRQLJR-PBHICJAKSA-N 2 0 356.536 0.564 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618706 536306916 /nfs/dbraw/zinc/30/69/16/536306916.db2.gz ZTXHBMZWASYMGZ-CQSZACIVSA-N 2 0 354.476 0.737 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418620041 536346115 /nfs/dbraw/zinc/34/61/15/536346115.db2.gz QESDHAIVLJCMID-AWEZNQCLSA-N 2 0 365.444 0.950 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000419404369 536349016 /nfs/dbraw/zinc/34/90/16/536349016.db2.gz GBXKHMGFLAPNSO-MRXNPFEDSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000419400133 536369276 /nfs/dbraw/zinc/36/92/76/536369276.db2.gz LHVHMLIVEZLFAI-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419398675 536416333 /nfs/dbraw/zinc/41/63/33/536416333.db2.gz XNPHULRPGHHCCR-KRWDZBQOSA-N 2 0 358.486 0.760 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419786858 536481474 /nfs/dbraw/zinc/48/14/74/536481474.db2.gz ZJDDBOYCOHPHIU-ROUUACIJSA-N 2 0 358.486 0.881 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000423674778 536734880 /nfs/dbraw/zinc/73/48/80/536734880.db2.gz PJRSVAJBXMPSCB-CVEARBPZSA-N 2 0 352.479 0.038 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419748124 536746274 /nfs/dbraw/zinc/74/62/74/536746274.db2.gz FHFLIDOHCIEBBX-KBPBESRZSA-N 2 0 354.495 0.201 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419752182 536746371 /nfs/dbraw/zinc/74/63/71/536746371.db2.gz LTBMHAVUGDEXJL-GOEBONIOSA-N 2 0 368.522 0.578 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419748125 536746833 /nfs/dbraw/zinc/74/68/33/536746833.db2.gz FHFLIDOHCIEBBX-KGLIPLIRSA-N 2 0 354.495 0.201 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419756480 536747559 /nfs/dbraw/zinc/74/75/59/536747559.db2.gz SGNCZOHVNFWMNN-INIZCTEOSA-N 2 0 368.522 0.626 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000446593787 536751317 /nfs/dbraw/zinc/75/13/17/536751317.db2.gz CBEMYGRFWMWUEW-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423441712 536774425 /nfs/dbraw/zinc/77/44/25/536774425.db2.gz JGGQNSFWUVEDEJ-KRWDZBQOSA-N 2 0 368.522 0.533 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419841993 536774955 /nfs/dbraw/zinc/77/49/55/536774955.db2.gz KYCIIKVGYWVYPA-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423602987 536776176 /nfs/dbraw/zinc/77/61/76/536776176.db2.gz GJWVWMBWJZZIKV-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419673298 536780274 /nfs/dbraw/zinc/78/02/74/536780274.db2.gz HCWMZGWOPPXOAU-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP Cc1cc(S(N)(=O)=O)cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000126173319 546545120 /nfs/dbraw/zinc/54/51/20/546545120.db2.gz HFRDYXYBQZNVMM-UHFFFAOYSA-N 2 0 370.519 0.516 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000550840845 547110852 /nfs/dbraw/zinc/11/08/52/547110852.db2.gz VNQCTZOLXKIFLP-GOSISDBHSA-N 2 0 370.563 0.873 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839284 547111363 /nfs/dbraw/zinc/11/13/63/547111363.db2.gz XFRWVAXCZVULBA-MAUKXSAKSA-N 2 0 368.547 0.627 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000550903535 547114065 /nfs/dbraw/zinc/11/40/65/547114065.db2.gz ZKFBYSYYEIDLNU-ZOBUZTSGSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000550958352 547116759 /nfs/dbraw/zinc/11/67/59/547116759.db2.gz SKBWJTACQNQJLH-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550946725 547117228 /nfs/dbraw/zinc/11/72/28/547117228.db2.gz XSYZIKOSAVZGQG-MRXNPFEDSA-N 2 0 354.495 0.015 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000550958350 547117384 /nfs/dbraw/zinc/11/73/84/547117384.db2.gz SKBWJTACQNQJLH-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551214906 547134630 /nfs/dbraw/zinc/13/46/30/547134630.db2.gz IPIUEMVUZSDVSS-RHSMWYFYSA-N 2 0 356.536 0.531 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000552364057 547205152 /nfs/dbraw/zinc/20/51/52/547205152.db2.gz UBCNKMBHNMQVDN-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000553615229 547293679 /nfs/dbraw/zinc/29/36/79/547293679.db2.gz GBTWPKXZIGCIOW-JKSUJKDBSA-N 2 0 356.511 0.402 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000566244930 547316548 /nfs/dbraw/zinc/31/65/48/547316548.db2.gz COLXYVPXLUZJJY-KGLIPLIRSA-N 2 0 366.487 0.594 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356761 547337538 /nfs/dbraw/zinc/33/75/38/547337538.db2.gz WFSRYXHSJOVMKG-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000189550380 674380415 /nfs/dbraw/zinc/38/04/15/674380415.db2.gz ATFGTUBRCRVCEH-UHFFFAOYSA-N 2 0 362.540 0.479 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC000949098977 674394238 /nfs/dbraw/zinc/39/42/38/674394238.db2.gz PCIMFAIBMYFWCS-DLBZAZTESA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000949244829 674398182 /nfs/dbraw/zinc/39/81/82/674398182.db2.gz AHWWXRGROWWNFN-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000950248202 674423218 /nfs/dbraw/zinc/42/32/18/674423218.db2.gz QIRUVEGJRFFGTI-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025522 598522328 /nfs/dbraw/zinc/52/23/28/598522328.db2.gz LQDOBVNCZGEIMM-KBPBESRZSA-N 2 0 359.482 0.817 20 0 FCADRP CCC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736481804 598531000 /nfs/dbraw/zinc/53/10/00/598531000.db2.gz YKPBIWRFCAVGPD-AWEZNQCLSA-N 2 0 359.482 0.817 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736865126 599484934 /nfs/dbraw/zinc/48/49/34/599484934.db2.gz VLTCBSAFEPKWRC-UHFFFAOYSA-N 2 0 369.477 0.632 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000956077902 674518222 /nfs/dbraw/zinc/51/82/22/674518222.db2.gz BXQDFLOYMVRRBR-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000956387059 674522554 /nfs/dbraw/zinc/52/25/54/674522554.db2.gz DHPZMYFLTYSSOS-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825453494 609205084 /nfs/dbraw/zinc/20/50/84/609205084.db2.gz VCOAIBPFRAGKCY-CQSZACIVSA-N 2 0 360.466 0.683 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000989482941 665817944 /nfs/dbraw/zinc/81/79/44/665817944.db2.gz WZGLYDURUAXDLC-IKGGRYGDSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC000990763648 665930606 /nfs/dbraw/zinc/93/06/06/665930606.db2.gz OPGFUVIWJFDHGN-WFXMFSGNSA-N 2 0 350.507 0.918 20 0 FCADRP CC1(C)CN(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCO1 ZINC000891472643 663408321 /nfs/dbraw/zinc/40/83/21/663408321.db2.gz OFBMQNPMDPATIN-RYUDHWBXSA-N 2 0 352.401 0.876 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000891513455 663410817 /nfs/dbraw/zinc/41/08/17/663410817.db2.gz CIPGULPBMJUUHN-OWCLPIDISA-N 2 0 352.479 0.308 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000891514155 663410907 /nfs/dbraw/zinc/41/09/07/663410907.db2.gz MQYPKTALYJZRIR-NEPJUHHUSA-N 2 0 351.476 0.533 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526612 663411988 /nfs/dbraw/zinc/41/19/88/663411988.db2.gz COATYSNNDQFSJL-HOTGVXAUSA-N 2 0 353.511 0.080 20 0 FCADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000891534971 663412590 /nfs/dbraw/zinc/41/25/90/663412590.db2.gz GUJMSCBOTZRINS-UHFFFAOYSA-N 2 0 353.511 0.842 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538129 663412846 /nfs/dbraw/zinc/41/28/46/663412846.db2.gz QFYDIBRNTZVVEQ-CVEARBPZSA-N 2 0 354.495 0.555 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538130 663412955 /nfs/dbraw/zinc/41/29/55/663412955.db2.gz QFYDIBRNTZVVEQ-HOTGVXAUSA-N 2 0 354.495 0.555 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559638 663415588 /nfs/dbraw/zinc/41/55/88/663415588.db2.gz GSYOXMXGXLXXMB-KGLIPLIRSA-N 2 0 359.465 0.699 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892036925 663469416 /nfs/dbraw/zinc/46/94/16/663469416.db2.gz QSWJUPUFZIIEOD-IRXDYDNUSA-N 2 0 355.527 0.456 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892041747 663469801 /nfs/dbraw/zinc/46/98/01/663469801.db2.gz VBTOOPHXXKLSCF-IAGOWNOFSA-N 2 0 355.527 0.600 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000892096932 663475598 /nfs/dbraw/zinc/47/55/98/663475598.db2.gz KJSIXSDEASKMQC-HUUCEWRRSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097357 663475755 /nfs/dbraw/zinc/47/57/55/663475755.db2.gz NHHKEEWWONNZPZ-BRWVUGGUSA-N 2 0 353.511 0.223 20 0 FCADRP C[N@@H+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000892108992 663477385 /nfs/dbraw/zinc/47/73/85/663477385.db2.gz XWHGKWFPMBNIPQ-GFCCVEGCSA-N 2 0 351.417 0.558 20 0 FCADRP C[N@@H+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1(C)C ZINC000892108977 663477430 /nfs/dbraw/zinc/47/74/30/663477430.db2.gz XUBFQNMILBGZGL-ZDUSSCGKSA-N 2 0 365.444 0.948 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926413563 663514039 /nfs/dbraw/zinc/51/40/39/663514039.db2.gz HJRLZVMRYZIRHQ-HNNXBMFYSA-N 2 0 350.463 0.757 20 0 FCADRP C[C@@H]1CC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000892292288 663523048 /nfs/dbraw/zinc/52/30/48/663523048.db2.gz AEFJGMKDSUVJMN-CABCVRRESA-N 2 0 351.495 0.642 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892336037 663574666 /nfs/dbraw/zinc/57/46/66/663574666.db2.gz YKNSQCPOSRGQBJ-SJORKVTESA-N 2 0 354.495 0.338 20 0 FCADRP C[C@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000924489526 663611005 /nfs/dbraw/zinc/61/10/05/663611005.db2.gz ALFXVJXTAFYNCS-HOTGVXAUSA-N 2 0 351.495 0.276 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC000972670844 663809433 /nfs/dbraw/zinc/80/94/33/663809433.db2.gz CUOOCADGJKTCAV-TWMKSMIVSA-N 2 0 352.523 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001024446884 663943720 /nfs/dbraw/zinc/94/37/20/663943720.db2.gz KDFJUJFVTKNOSX-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000959656439 674581520 /nfs/dbraw/zinc/58/15/20/674581520.db2.gz YSEQAJJOXCKXJK-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(S(C)(=O)=O)C3)cn2)CC1 ZINC000892597077 664046151 /nfs/dbraw/zinc/04/61/51/664046151.db2.gz SXYUMAKNXNBUNZ-UHFFFAOYSA-N 2 0 352.504 0.889 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651526 664059149 /nfs/dbraw/zinc/05/91/49/664059149.db2.gz ZLLQHGCBUOYTJY-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000892685588 664103554 /nfs/dbraw/zinc/10/35/54/664103554.db2.gz AGKLRWLIBJSPLN-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000892917899 664154362 /nfs/dbraw/zinc/15/43/62/664154362.db2.gz CKGIFFKAJFEGDL-GASCZTMLSA-N 2 0 351.495 0.132 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000892923469 664154866 /nfs/dbraw/zinc/15/48/66/664154866.db2.gz QXFSRMUEPLDTCX-UHFFFAOYSA-N 2 0 351.495 0.550 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818289 664195445 /nfs/dbraw/zinc/19/54/45/664195445.db2.gz NKRWCKUNCDSIKC-IKIFYQGPSA-N 2 0 351.491 0.567 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000974185713 664226801 /nfs/dbraw/zinc/22/68/01/664226801.db2.gz RFYCTIRNYYSHNN-LVQVYYBASA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21)[NH+](C)C ZINC000974602955 664266776 /nfs/dbraw/zinc/26/67/76/664266776.db2.gz TUAUEQGHRRFZNE-OWCLPIDISA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC000974598985 664267596 /nfs/dbraw/zinc/26/75/96/664267596.db2.gz FSEPZSSJLYKTEO-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)CC1 ZINC000974597028 664267679 /nfs/dbraw/zinc/26/76/79/664267679.db2.gz PUDHXNOOPHRRPR-ZACQAIPSSA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21)[NH+](C)C ZINC000974688059 664273736 /nfs/dbraw/zinc/27/37/36/664273736.db2.gz CRWYHXNLSMQZQK-JFIYKMOQSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21)[NH+](C)C ZINC000975039748 664300408 /nfs/dbraw/zinc/30/04/08/664300408.db2.gz KNYLTDHUGWJSJU-QBPKDAKJSA-N 2 0 350.507 0.726 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976690555 664393998 /nfs/dbraw/zinc/39/39/98/664393998.db2.gz COEZUBOVTBADRL-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043277 664816530 /nfs/dbraw/zinc/81/65/30/664816530.db2.gz KOWGYQIYRFGPDZ-KSZLIROESA-N 2 0 351.491 0.857 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCF)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043088 664816638 /nfs/dbraw/zinc/81/66/38/664816638.db2.gz GENYIVWZLSATCR-ZACQAIPSSA-N 2 0 357.470 0.806 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001028550193 664901856 /nfs/dbraw/zinc/90/18/56/664901856.db2.gz KHVHADRDJXGYQJ-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000982822378 664928649 /nfs/dbraw/zinc/92/86/49/664928649.db2.gz YRYGTKCTYOTQAP-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C)CC[NH+](C)CC2)CCCO1 ZINC000894448167 664967414 /nfs/dbraw/zinc/96/74/14/664967414.db2.gz LLDAZZVERXWDFS-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326479 665080992 /nfs/dbraw/zinc/08/09/92/665080992.db2.gz ZISJQAXGFPHWRZ-MRXNPFEDSA-N 2 0 350.507 0.382 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000985063673 665130281 /nfs/dbraw/zinc/13/02/81/665130281.db2.gz NYFFSIPXASQSFC-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985439716 665167312 /nfs/dbraw/zinc/16/73/12/665167312.db2.gz DUOJLFPHZKCTBP-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000888169351 665284917 /nfs/dbraw/zinc/28/49/17/665284917.db2.gz HNDPEGRIPHFEAK-HZPDHXFCSA-N 2 0 353.511 0.868 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000897488216 665293825 /nfs/dbraw/zinc/29/38/25/665293825.db2.gz YBAUOSFUXSKPSW-JKSUJKDBSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000938038736 665312254 /nfs/dbraw/zinc/31/22/54/665312254.db2.gz BAQKRNMMSZTRTP-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000938038842 665312563 /nfs/dbraw/zinc/31/25/63/665312563.db2.gz AQYYTNISNJPGIY-NXOAAHMSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000938043293 665313282 /nfs/dbraw/zinc/31/32/82/665313282.db2.gz HKAHJBWLWKFEEX-BHYGNILZSA-N 2 0 350.507 0.918 20 0 FCADRP COc1cc[nH+]c(N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)c1 ZINC000905340810 666020737 /nfs/dbraw/zinc/02/07/37/666020737.db2.gz QZZRTZFMIGDWQS-UHFFFAOYSA-N 2 0 354.476 0.542 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000906561099 666056094 /nfs/dbraw/zinc/05/60/94/666056094.db2.gz TYUFGEHBEYIRTP-KRWDZBQOSA-N 2 0 350.507 0.875 20 0 FCADRP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906653489 666060985 /nfs/dbraw/zinc/06/09/85/666060985.db2.gz DSSJCAVTIQQUNI-GOSISDBHSA-N 2 0 351.539 0.107 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000906696888 666063963 /nfs/dbraw/zinc/06/39/63/666063963.db2.gz JYVXVUHLQJWNAH-UHFFFAOYSA-N 2 0 362.499 0.824 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000907046410 666092327 /nfs/dbraw/zinc/09/23/27/666092327.db2.gz DWDQUGAJUGCTMN-ROUUACIJSA-N 2 0 352.523 0.364 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000907515700 666140653 /nfs/dbraw/zinc/14/06/53/666140653.db2.gz CLYOGPYLQXLHAR-ZWKOTPCHSA-N 2 0 354.539 0.706 20 0 FCADRP CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000910944880 666300439 /nfs/dbraw/zinc/30/04/39/666300439.db2.gz YENPFBLEKGAJHI-GJZGRUSLSA-N 2 0 356.511 0.137 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911079922 666308446 /nfs/dbraw/zinc/30/84/46/666308446.db2.gz KWJMXCVWINSCJA-YESZJQIVSA-N 2 0 350.507 0.539 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000911167660 666319456 /nfs/dbraw/zinc/31/94/56/666319456.db2.gz VUYQZPDREHSAHY-CZUORRHYSA-N 2 0 350.438 0.742 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159614 666382603 /nfs/dbraw/zinc/38/26/03/666382603.db2.gz YSNKZYRFRVLZGY-MRXNPFEDSA-N 2 0 369.579 0.912 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912287911 666430355 /nfs/dbraw/zinc/43/03/55/666430355.db2.gz ZBUKXAVUSQECEB-UHFFFAOYSA-N 2 0 352.523 0.487 20 0 FCADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000912586132 666458991 /nfs/dbraw/zinc/45/89/91/666458991.db2.gz MXBSMRXNCQBRHM-UHFFFAOYSA-N 2 0 351.495 0.657 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000938499459 666468813 /nfs/dbraw/zinc/46/88/13/666468813.db2.gz YVGNGYDFWSUVHY-BQJWPVKWSA-N 2 0 350.507 0.774 20 0 FCADRP C[NH+](C)C1CCN(CCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925337607 666523867 /nfs/dbraw/zinc/52/38/67/666523867.db2.gz IXLBBPZJHDGBJK-INIZCTEOSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940311561 666546314 /nfs/dbraw/zinc/54/63/14/666546314.db2.gz UUSGKLJOVAIYTI-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000940770526 666560608 /nfs/dbraw/zinc/56/06/08/666560608.db2.gz SIHMQUUUJDIPGU-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992089073 666617879 /nfs/dbraw/zinc/61/78/79/666617879.db2.gz DNUMEFGHZJPZST-HLLBOEOZSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000942208053 666716991 /nfs/dbraw/zinc/71/69/91/666716991.db2.gz PJMIRYIBVGBEIA-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP CO[C@H]1C[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)[N@H+](C)C1 ZINC000915070363 666819603 /nfs/dbraw/zinc/81/96/03/666819603.db2.gz WIFJEUGOZHOKHC-GJZGRUSLSA-N 2 0 352.479 0.038 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000944529707 666848021 /nfs/dbraw/zinc/84/80/21/666848021.db2.gz XJWVEWWAYVZYID-KLHDSHLOSA-N 2 0 354.495 0.009 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1)[NH+](C)C ZINC000993445834 666905870 /nfs/dbraw/zinc/90/58/70/666905870.db2.gz NDJBWXBIWOTNIW-YIGXGSLSSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH+]3CCN(CCO)CC3)CC2)CC[N@@H+]1C ZINC000996776402 666978795 /nfs/dbraw/zinc/97/87/95/666978795.db2.gz MQMGLLBKSWZEFX-AQEOSJORSA-N 2 0 352.523 0.364 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961664669 674785089 /nfs/dbraw/zinc/78/50/89/674785089.db2.gz FMFZIYRQSKRLHH-UUAJXVIYSA-N 2 0 350.507 0.584 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224708 667064830 /nfs/dbraw/zinc/06/48/30/667064830.db2.gz SRMYHDLISKNARC-RDJZCZTQSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000997597377 667166166 /nfs/dbraw/zinc/16/61/66/667166166.db2.gz UIZPWMKIZNRFAX-JJRVBVJISA-N 2 0 350.507 0.822 20 0 FCADRP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679185 667259905 /nfs/dbraw/zinc/25/99/05/667259905.db2.gz LJXIAEFPLLPVOZ-QGTPRVQTSA-N 2 0 353.507 0.816 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC001002245181 667526049 /nfs/dbraw/zinc/52/60/49/667526049.db2.gz AWWMBYIYXHUKRU-GDBMZVCRSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001002859920 667572321 /nfs/dbraw/zinc/57/23/21/667572321.db2.gz VBIQJFWIKQKEPW-ZNMIVQPWSA-N 2 0 350.463 0.103 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423379328 667603666 /nfs/dbraw/zinc/60/36/66/667603666.db2.gz XEPWYZJZDOLYTK-GOSISDBHSA-N 2 0 364.515 0.993 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423415938 667604017 /nfs/dbraw/zinc/60/40/17/667604017.db2.gz POIOFLOPVLQKMM-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423415937 667604177 /nfs/dbraw/zinc/60/41/77/667604177.db2.gz POIOFLOPVLQKMM-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC(N)=O)CC2)CC[N@@H+]1C ZINC001004450617 667687274 /nfs/dbraw/zinc/68/72/74/667687274.db2.gz NNTBOTRGXPUURV-GVDBMIGSSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2)[NH+](C)C ZINC001004952594 667719414 /nfs/dbraw/zinc/71/94/14/667719414.db2.gz LZTMZPKDBLIVEZ-NQNKBUKLSA-N 2 0 350.507 0.915 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033834087 667739053 /nfs/dbraw/zinc/73/90/53/667739053.db2.gz NMYFUWXMTZXJPL-BZUAXINKSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001036603962 667791797 /nfs/dbraw/zinc/79/17/97/667791797.db2.gz VSGDETWYCWVPDJ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280899 667821965 /nfs/dbraw/zinc/82/19/65/667821965.db2.gz LSBBLQAYQBPYFW-UKRRQHHQSA-N 2 0 355.866 0.867 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923590924 667853717 /nfs/dbraw/zinc/85/37/17/667853717.db2.gz IBQWRKSBDZNLKG-UHFFFAOYSA-N 2 0 352.504 0.699 20 0 FCADRP CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000778875589 668394887 /nfs/dbraw/zinc/39/48/87/668394887.db2.gz PIJDQAUCLVQBIQ-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)n1 ZINC000784392545 668654582 /nfs/dbraw/zinc/65/45/82/668654582.db2.gz IKULRPQUOMACCQ-UHFFFAOYSA-N 2 0 371.869 0.634 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000788252022 668821487 /nfs/dbraw/zinc/82/14/87/668821487.db2.gz NLAYBJIKJHCHEQ-RHSMWYFYSA-N 2 0 356.536 0.531 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000788609839 668834704 /nfs/dbraw/zinc/83/47/04/668834704.db2.gz HXGPQMPDJMKJRN-CVEARBPZSA-N 2 0 353.488 0.890 20 0 FCADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000819058540 668975164 /nfs/dbraw/zinc/97/51/64/668975164.db2.gz LOGRXBZJMSNTGF-QAPCUYQASA-N 2 0 369.531 0.597 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819134898 668983088 /nfs/dbraw/zinc/98/30/88/668983088.db2.gz OTFYYIKEGMERCB-SFHVURJKSA-N 2 0 369.531 0.739 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000821126020 669159493 /nfs/dbraw/zinc/15/94/93/669159493.db2.gz WHOIGTAIYORJDF-OAHLLOKOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]CCc1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000822937541 669307937 /nfs/dbraw/zinc/30/79/37/669307937.db2.gz QIBMTHYXAYCONV-UHFFFAOYSA-N 2 0 367.475 0.729 20 0 FCADRP Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102259 670531047 /nfs/dbraw/zinc/53/10/47/670531047.db2.gz SHACJYZDHDMEJM-UHFFFAOYSA-N 2 0 351.904 0.496 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842484485 670695334 /nfs/dbraw/zinc/69/53/34/670695334.db2.gz LYHMSMDXTJDWSM-INIZCTEOSA-N 2 0 355.508 0.578 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362930 670806941 /nfs/dbraw/zinc/80/69/41/670806941.db2.gz VIUDKVBIKSIWMR-OLZOCXBDSA-N 2 0 351.451 0.332 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000843833966 670861409 /nfs/dbraw/zinc/86/14/09/670861409.db2.gz LXYZQVKKHAVQBB-WRQOLXDDSA-N 2 0 350.507 0.774 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000968016311 675178559 /nfs/dbraw/zinc/17/85/59/675178559.db2.gz WZACKDUZHHUGGH-ZMSDIMECSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829864 675899503 /nfs/dbraw/zinc/89/95/03/675899503.db2.gz AHGAHKURZOABJK-ZOFXXKQRSA-N 2 0 350.507 0.584 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000853347847 671546697 /nfs/dbraw/zinc/54/66/97/671546697.db2.gz RSUVFKQMRQTFDK-HOTGVXAUSA-N 2 0 355.527 0.768 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000857113436 671717391 /nfs/dbraw/zinc/71/73/91/671717391.db2.gz WKSCRLOJBIOUJI-AWEZNQCLSA-N 2 0 355.527 0.849 20 0 FCADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000857254129 671721958 /nfs/dbraw/zinc/72/19/58/671721958.db2.gz ZFHQUNIOSHMCMP-NWDGAFQWSA-N 2 0 363.505 0.800 20 0 FCADRP COC(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C ZINC000858612840 671768968 /nfs/dbraw/zinc/76/89/68/671768968.db2.gz OCEKZSWUBWWHSE-UHFFFAOYSA-N 2 0 358.464 0.862 20 0 FCADRP C[Si](C)(CC[NH+]1CCOC[C@@H]1CCO)CC[N@@H+]1CCOC[C@@H]1CCO ZINC000859216452 671801781 /nfs/dbraw/zinc/80/17/81/671801781.db2.gz JLXATLFCKGUHAF-ROUUACIJSA-N 2 0 374.598 0.861 20 0 FCADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000859243328 671803601 /nfs/dbraw/zinc/80/36/01/671803601.db2.gz ASSDYGVOMJOWRH-ROUUACIJSA-N 2 0 374.598 0.861 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC001049483529 675950522 /nfs/dbraw/zinc/95/05/22/675950522.db2.gz YITVSDGBAXFMAC-VVLHAWIVSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC001049483528 675950588 /nfs/dbraw/zinc/95/05/88/675950588.db2.gz YITVSDGBAXFMAC-HZMVEIRTSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000903718835 675963229 /nfs/dbraw/zinc/96/32/29/675963229.db2.gz RQCBJHJFHZZWMF-KRWDZBQOSA-N 2 0 351.491 0.716 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000863754742 672150024 /nfs/dbraw/zinc/15/00/24/672150024.db2.gz VOOOAVBLWVSVJM-GFCCVEGCSA-N 2 0 356.417 0.661 20 0 FCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865451171 672243185 /nfs/dbraw/zinc/24/31/85/672243185.db2.gz KBQYFHAIKDBYMI-SFHVURJKSA-N 2 0 350.511 0.820 20 0 FCADRP O=S(=O)(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000923607900 672426023 /nfs/dbraw/zinc/42/60/23/672426023.db2.gz KFCLVOHCMDVSQA-UHFFFAOYSA-N 2 0 368.503 0.401 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578196 676025132 /nfs/dbraw/zinc/02/51/32/676025132.db2.gz HOEVGATURVEDMJ-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP COC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600884 672563910 /nfs/dbraw/zinc/56/39/10/672563910.db2.gz FUKDDVCTEJSBHK-HUUCEWRRSA-N 2 0 353.463 0.731 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@H](C)C(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001000706255 676060039 /nfs/dbraw/zinc/06/00/39/676060039.db2.gz ZGJJRLWRWULQTG-HYVNUMGLSA-N 2 0 350.507 0.942 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000875132986 672836381 /nfs/dbraw/zinc/83/63/81/672836381.db2.gz GMANHQKXILNQHO-INIZCTEOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001050328919 676081855 /nfs/dbraw/zinc/08/18/55/676081855.db2.gz PBEAHFYGDVYERY-HHARLNAUSA-N 2 0 350.507 0.870 20 0 FCADRP COC[C@@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C[NH2+]CCO1 ZINC000876709573 672974036 /nfs/dbraw/zinc/97/40/36/672974036.db2.gz VCFKRYRBKSKSFB-SJLPKXTDSA-N 2 0 351.447 0.419 20 0 FCADRP CC(C)[C@@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000876924758 672988296 /nfs/dbraw/zinc/98/82/96/672988296.db2.gz VNKHCBGRVSQFMK-QGZVFWFLSA-N 2 0 354.520 0.696 20 0 FCADRP CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524146 676085524 /nfs/dbraw/zinc/08/55/24/676085524.db2.gz UOQIIPRIGONFIS-ARFHVFGLSA-N 2 0 350.507 0.905 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883139164 673367974 /nfs/dbraw/zinc/36/79/74/673367974.db2.gz CMXHAXIOJIYPJX-QGZVFWFLSA-N 2 0 356.511 0.897 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883385696 673372801 /nfs/dbraw/zinc/37/28/01/673372801.db2.gz QWARWNQILFKHRS-IRXDYDNUSA-N 2 0 353.511 0.175 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000883694157 673391393 /nfs/dbraw/zinc/39/13/93/673391393.db2.gz VJTQOLZULQDOQY-UYTSQGDYSA-N 2 0 351.495 0.463 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884490842 673456920 /nfs/dbraw/zinc/45/69/20/673456920.db2.gz IDFXYMNPMGHSLJ-MDZRGWNJSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884493793 673457171 /nfs/dbraw/zinc/45/71/71/673457171.db2.gz CJOBGTIGOYNNHC-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000884502687 673457779 /nfs/dbraw/zinc/45/77/79/673457779.db2.gz QBGOYIVUDPCKDC-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000884554305 673461586 /nfs/dbraw/zinc/46/15/86/673461586.db2.gz QPYWSFNEOPJDED-BIENJYKASA-N 2 0 350.507 0.951 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884576176 673463311 /nfs/dbraw/zinc/46/33/11/673463311.db2.gz BKBHGEZIMFDPQI-QFBILLFUSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884576598 673463621 /nfs/dbraw/zinc/46/36/21/673463621.db2.gz LDNMDLSSCVQQNP-UPJWGTAASA-N 2 0 364.412 0.430 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884587534 673464160 /nfs/dbraw/zinc/46/41/60/673464160.db2.gz KYNCYPWPTZKUDF-SFHVURJKSA-N 2 0 354.495 0.063 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884597844 673464797 /nfs/dbraw/zinc/46/47/97/673464797.db2.gz LTINBMJVEOWFRK-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000884603502 673465044 /nfs/dbraw/zinc/46/50/44/673465044.db2.gz LEMBBYLOXSAMHY-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603570 673465075 /nfs/dbraw/zinc/46/50/75/673465075.db2.gz MEQNUDBBZQLIMF-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603573 673465499 /nfs/dbraw/zinc/46/54/99/673465499.db2.gz MEQNUDBBZQLIMF-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000884625467 673466956 /nfs/dbraw/zinc/46/69/56/673466956.db2.gz KDJWFNCNJKYDFQ-INIZCTEOSA-N 2 0 350.507 0.871 20 0 FCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884627096 673467237 /nfs/dbraw/zinc/46/72/37/673467237.db2.gz DOFYIMVDHCTEFU-AUUYWEPGSA-N 2 0 350.507 0.810 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000884640346 673469011 /nfs/dbraw/zinc/46/90/11/673469011.db2.gz BKXSHDBAXQMRRO-YPMHNXCESA-N 2 0 364.412 0.573 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000884683264 673472435 /nfs/dbraw/zinc/47/24/35/673472435.db2.gz ALFXNLKMDMFIHT-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCCC1 ZINC000885275358 673511035 /nfs/dbraw/zinc/51/10/35/673511035.db2.gz CXQAYPWZKSIVKJ-ZIAGYGMSSA-N 2 0 360.449 0.586 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC[C@H]21 ZINC000885286348 673512477 /nfs/dbraw/zinc/51/24/77/673512477.db2.gz WOAAXJBOYJCJDH-MGPQQGTHSA-N 2 0 358.433 0.290 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000888027993 673664350 /nfs/dbraw/zinc/66/43/50/673664350.db2.gz OGNPHNTWPXPISZ-HNNXBMFYSA-N 2 0 353.511 0.870 20 0 FCADRP C[NH+]1CCN(CCC[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924579446 673758888 /nfs/dbraw/zinc/75/88/88/673758888.db2.gz WXPSSCKIYDFWAO-INIZCTEOSA-N 2 0 356.511 0.849 20 0 FCADRP COCCC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924581955 673758894 /nfs/dbraw/zinc/75/88/94/673758894.db2.gz OCPBQEBQHDSPJX-INIZCTEOSA-N 2 0 352.479 0.894 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924949169 673770351 /nfs/dbraw/zinc/77/03/51/673770351.db2.gz FZUHMTVRCJRBAU-DLBZAZTESA-N 2 0 374.595 0.910 20 0 FCADRP C[N@@H+]1CCN(CCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1(C)C ZINC000925306325 673786399 /nfs/dbraw/zinc/78/63/99/673786399.db2.gz GMOAFIROAMLBPA-OAHLLOKOSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354767 673788849 /nfs/dbraw/zinc/78/88/49/673788849.db2.gz LIQBSKDPKJCGME-HUUCEWRRSA-N 2 0 351.495 0.594 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C[C@H]1[NH3+] ZINC000926318559 673821904 /nfs/dbraw/zinc/82/19/04/673821904.db2.gz ABDXILAWMMRYLK-BRWVUGGUSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)N2CCC2)CC[N@@H+]1C ZINC000968866620 675242176 /nfs/dbraw/zinc/24/21/76/675242176.db2.gz KZYBGLMOHCKESC-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001011211560 675377386 /nfs/dbraw/zinc/37/73/86/675377386.db2.gz AOWSWWTZAFLPOB-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001016580845 675402730 /nfs/dbraw/zinc/40/27/30/675402730.db2.gz JARCJEYFHLJAED-SJJHQCBESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001018873678 675418359 /nfs/dbraw/zinc/41/83/59/675418359.db2.gz UZFRAGSLNNGAEA-SOUVJXGZSA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001045443330 675653798 /nfs/dbraw/zinc/65/37/98/675653798.db2.gz LBHDOOUTAXVTAH-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CCO2)CC1 ZINC000900596263 675697977 /nfs/dbraw/zinc/69/79/77/675697977.db2.gz ACHOWJFMEYSGJZ-RCCFBDPRSA-N 2 0 350.507 0.478 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900612649 675699688 /nfs/dbraw/zinc/69/96/88/675699688.db2.gz CPDNQVPCITVQEI-AOCRQIFASA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900694250 675708421 /nfs/dbraw/zinc/70/84/21/675708421.db2.gz BZYKSDLRNYHNRF-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001046329950 675708884 /nfs/dbraw/zinc/70/88/84/675708884.db2.gz DFVKJOQHNQSRLS-DAYGRLMNSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(F)(F)F)[NH+](C)C ZINC000901085848 675752428 /nfs/dbraw/zinc/75/24/28/675752428.db2.gz MYXVMQCAOYVENM-SDDRHHMPSA-N 2 0 354.417 0.830 20 0 FCADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897488753 1192191949 /nfs/dbraw/zinc/19/19/49/1192191949.db2.gz LJCYVKUPSGIJLG-CABCVRRESA-N 2 0 356.430 0.520 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3cncn3C)[C@H]2C)CC[N@@H+]1C ZINC001020473573 1167892562 /nfs/dbraw/zinc/89/25/62/1167892562.db2.gz ICACBGLAIOPBTP-WTTBNOFXSA-N 2 0 361.490 0.799 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969512682 1167998901 /nfs/dbraw/zinc/99/89/01/1167998901.db2.gz VSNTVFJZRPETDC-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614097 1168161334 /nfs/dbraw/zinc/16/13/34/1168161334.db2.gz JFRPJUADWIKARP-IEWDOMPSSA-N 2 0 370.497 0.847 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104288320 1169166045 /nfs/dbraw/zinc/16/60/45/1169166045.db2.gz VQVSDJWHZOMEGR-ZIAGYGMSSA-N 2 0 364.494 0.167 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000970635919 1169219332 /nfs/dbraw/zinc/21/93/32/1169219332.db2.gz KCOGISATXPHXGR-XKQJLSEDSA-N 2 0 371.441 0.120 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294629 1169693264 /nfs/dbraw/zinc/69/32/64/1169693264.db2.gz UOJZGBIWSPYDMC-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104294664 1169695626 /nfs/dbraw/zinc/69/56/26/1169695626.db2.gz WVHJHYVMVYUXGV-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104311244 1169885042 /nfs/dbraw/zinc/88/50/42/1169885042.db2.gz YRHRMDKSIFBDMZ-OAGGEKHMSA-N 2 0 363.510 0.659 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104311243 1169885152 /nfs/dbraw/zinc/88/51/52/1169885152.db2.gz YRHRMDKSIFBDMZ-BZUAXINKSA-N 2 0 363.510 0.659 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)C1 ZINC001021699846 1169894111 /nfs/dbraw/zinc/89/41/11/1169894111.db2.gz YGKCZMNGQLGPLE-XYJFISCASA-N 2 0 367.453 0.959 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704399 1169899626 /nfs/dbraw/zinc/89/96/26/1169899626.db2.gz QKAVBHDBWVGGGE-GVDBMIGSSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365880 1170074768 /nfs/dbraw/zinc/07/47/68/1170074768.db2.gz QSWBPCZUQKSWKG-XZDPQHSOSA-N 2 0 363.462 0.047 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001021941451 1170328116 /nfs/dbraw/zinc/32/81/16/1170328116.db2.gz MDQUTTWXYAGPMC-KVSKMBFKSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941673 1170330592 /nfs/dbraw/zinc/33/05/92/1170330592.db2.gz QJTSVBKIJRKAFM-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001022037908 1170460064 /nfs/dbraw/zinc/46/00/64/1170460064.db2.gz DXLAHDRNURZQQS-KSZLIROESA-N 2 0 362.518 0.728 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891444149 1170505328 /nfs/dbraw/zinc/50/53/28/1170505328.db2.gz FFCAEWPJIXZSKK-LPHOPBHVSA-N 2 0 358.490 0.917 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCC4)C[C@@H]32)cn1 ZINC001083221000 1170583624 /nfs/dbraw/zinc/58/36/24/1170583624.db2.gz FJYMALQELNXPRB-ZWKOTPCHSA-N 2 0 361.490 0.770 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@H]1C ZINC001104367130 1170649716 /nfs/dbraw/zinc/64/97/16/1170649716.db2.gz IELGGNCDQRGNTO-VHDGCEQUSA-N 2 0 361.490 0.643 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000891602704 1170711530 /nfs/dbraw/zinc/71/15/30/1170711530.db2.gz LLTYBUBUJNIMPG-QFBILLFUSA-N 2 0 359.518 0.884 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022212360 1170750529 /nfs/dbraw/zinc/75/05/29/1170750529.db2.gz AJCKUYLJUSSUPY-YQQAZPJKSA-N 2 0 359.474 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022217307 1170765040 /nfs/dbraw/zinc/76/50/40/1170765040.db2.gz JYQIKBAHPLFSAX-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP Cn1cncc1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217304 1170765291 /nfs/dbraw/zinc/76/52/91/1170765291.db2.gz JXCMYDNBVXFAKU-GOEBONIOSA-N 2 0 357.458 0.118 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022219213 1170765968 /nfs/dbraw/zinc/76/59/68/1170765968.db2.gz LQQAGFFOGANPRA-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCOCC1 ZINC000891745920 1170842388 /nfs/dbraw/zinc/84/23/88/1170842388.db2.gz NNMCHGOMFZYVAI-SFHVURJKSA-N 2 0 370.538 0.879 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001691232128 1170875906 /nfs/dbraw/zinc/87/59/06/1170875906.db2.gz OQHGXGRJHILICT-GVDBMIGSSA-N 2 0 365.522 0.761 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000891830651 1170892435 /nfs/dbraw/zinc/89/24/35/1170892435.db2.gz SQDVGWCYZUFILX-INIZCTEOSA-N 2 0 360.506 0.974 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001691268342 1171002801 /nfs/dbraw/zinc/00/28/01/1171002801.db2.gz LBJSJLWSBFJLHB-OWCLPIDISA-N 2 0 364.494 0.158 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001691384353 1171249881 /nfs/dbraw/zinc/24/98/81/1171249881.db2.gz NOVLJUIXLLSHQX-CABCVRRESA-N 2 0 369.510 0.389 20 0 FCADRP NC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999355 1171457518 /nfs/dbraw/zinc/45/75/18/1171457518.db2.gz BLPOZFDEZBFHBM-QWHCGFSZSA-N 2 0 371.489 0.873 20 0 FCADRP CC1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC000892058468 1171539937 /nfs/dbraw/zinc/53/99/37/1171539937.db2.gz ZFADBTHEPTYSRI-UHFFFAOYSA-N 2 0 365.522 0.892 20 0 FCADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892226830 1171774187 /nfs/dbraw/zinc/77/41/87/1171774187.db2.gz MQLFAUCQTRGQKV-BBWFWOEESA-N 2 0 373.457 0.483 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC000972236448 1171873827 /nfs/dbraw/zinc/87/38/27/1171873827.db2.gz DWFJFWWZFZBWDD-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC000972257825 1171893327 /nfs/dbraw/zinc/89/33/27/1171893327.db2.gz VQBQLNTXCRMYRI-IXDOHACOSA-N 2 0 359.474 0.735 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CCC1 ZINC001083249499 1172019570 /nfs/dbraw/zinc/01/95/70/1172019570.db2.gz HXZAQRAVUCIKBQ-OKZBNKHCSA-N 2 0 363.502 0.809 20 0 FCADRP Cc1ccncc1CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249650 1172025925 /nfs/dbraw/zinc/02/59/25/1172025925.db2.gz PPPVBTOUGYJQLM-ZWKOTPCHSA-N 2 0 356.470 0.897 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000972423118 1172116892 /nfs/dbraw/zinc/11/68/92/1172116892.db2.gz LPPLRJBZLVMAGD-JOCBIADPSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)Cn1ccnc1 ZINC000989017654 1192628068 /nfs/dbraw/zinc/62/80/68/1192628068.db2.gz WLHZQLVVQIYQHX-UWWQBHOKSA-N 2 0 359.474 0.863 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897632232 1192838149 /nfs/dbraw/zinc/83/81/49/1192838149.db2.gz MKENGGFKYCSVGJ-HZPDHXFCSA-N 2 0 361.490 0.965 20 0 FCADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897863618 1192848725 /nfs/dbraw/zinc/84/87/25/1192848725.db2.gz GAPNKZPUBYJPPK-RTBURBONSA-N 2 0 359.470 0.243 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000898005884 1192853658 /nfs/dbraw/zinc/85/36/58/1192853658.db2.gz KVDNNSFZTLMYMB-VKJFTORMSA-N 2 0 371.485 0.718 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3COCC[C@H]3OC)CC2)CC1 ZINC000898081997 1192857296 /nfs/dbraw/zinc/85/72/96/1192857296.db2.gz YRRLNCOZFGSWHQ-QZTJIDSGSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001691554198 1192874225 /nfs/dbraw/zinc/87/42/25/1192874225.db2.gz XZFCNXFMMNMKLF-ZWKOTPCHSA-N 2 0 358.486 0.755 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)CC[C@@H]2C1 ZINC001691570557 1192887385 /nfs/dbraw/zinc/88/73/85/1192887385.db2.gz JQECQGMYFGOTOR-SQNIBIBYSA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001691573155 1192888963 /nfs/dbraw/zinc/88/89/63/1192888963.db2.gz LNMLWRCCQVCNGM-MSOLQXFVSA-N 2 0 353.507 0.508 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001023377595 1179492749 /nfs/dbraw/zinc/49/27/49/1179492749.db2.gz QVGWMOJLAACGEX-OWCLPIDISA-N 2 0 364.490 0.304 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[NH2+]C1 ZINC000892384815 1180181026 /nfs/dbraw/zinc/18/10/26/1180181026.db2.gz PMUVUXZYGFEAKP-JKSUJKDBSA-N 2 0 365.522 0.618 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389538 1180211276 /nfs/dbraw/zinc/21/12/76/1180211276.db2.gz NMMBHIBYUVVWKZ-CVEARBPZSA-N 2 0 365.522 0.713 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892452581 1181042317 /nfs/dbraw/zinc/04/23/17/1181042317.db2.gz QEVNFJNXEAQGJS-MUYFXNHWSA-N 2 0 365.522 0.448 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892486584 1181327854 /nfs/dbraw/zinc/32/78/54/1181327854.db2.gz QPUXRNKDCDKSNT-YJNKXOJESA-N 2 0 365.478 0.341 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892517622 1181697622 /nfs/dbraw/zinc/69/76/22/1181697622.db2.gz ADZLTFPZBOGPNU-QGZVFWFLSA-N 2 0 357.462 0.962 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892518855 1181709221 /nfs/dbraw/zinc/70/92/21/1181709221.db2.gz BHVCTQWVKMVHGT-MRXNPFEDSA-N 2 0 357.462 0.962 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC000972990374 1181851159 /nfs/dbraw/zinc/85/11/59/1181851159.db2.gz VRQUTDAQYYHLBX-KZNAEPCWSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1)C1CCC1 ZINC001083275807 1181855250 /nfs/dbraw/zinc/85/52/50/1181855250.db2.gz XNZCZFCIWFQXLL-RCCFBDPRSA-N 2 0 362.474 0.918 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892648121 1182000139 /nfs/dbraw/zinc/00/01/39/1182000139.db2.gz CAZWXYSDWISWMF-TXPKVOOTSA-N 2 0 365.522 0.522 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892648103 1182000370 /nfs/dbraw/zinc/00/03/70/1182000370.db2.gz BPOZMCFCXOTCIS-INIZCTEOSA-N 2 0 365.522 0.809 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892648104 1182000541 /nfs/dbraw/zinc/00/05/41/1182000541.db2.gz BPOZMCFCXOTCIS-MRXNPFEDSA-N 2 0 365.522 0.809 20 0 FCADRP COCCCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111984072 1182029824 /nfs/dbraw/zinc/02/98/24/1182029824.db2.gz YSRLZKSCRNTETD-GJYPPUQNSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000973332286 1182242557 /nfs/dbraw/zinc/24/25/57/1182242557.db2.gz KPRSFXHDYFQBNT-JVNHZCFISA-N 2 0 362.518 0.964 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1nnnn1C ZINC001104595408 1182259302 /nfs/dbraw/zinc/25/93/02/1182259302.db2.gz SAZKDZOSGQSCRI-QLFBSQMISA-N 2 0 363.510 0.687 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001104639248 1182326256 /nfs/dbraw/zinc/32/62/56/1182326256.db2.gz MWOGDPSMIBARMO-IIAWOOMASA-N 2 0 366.510 0.269 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001104691891 1182371984 /nfs/dbraw/zinc/37/19/84/1182371984.db2.gz YVSGRUVGMKHTFI-OAGGEKHMSA-N 2 0 366.506 0.550 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000892706082 1182392197 /nfs/dbraw/zinc/39/21/97/1182392197.db2.gz XKEHLMQDACWFQT-HDICACEKSA-N 2 0 373.501 0.681 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892759146 1182481496 /nfs/dbraw/zinc/48/14/96/1182481496.db2.gz IBXIVPGHSAPCQL-SJORKVTESA-N 2 0 368.522 0.897 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758756 1182481988 /nfs/dbraw/zinc/48/19/88/1182481988.db2.gz LLJLPEJBCFKSBZ-KRWDZBQOSA-N 2 0 369.554 0.670 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768349 1182490733 /nfs/dbraw/zinc/49/07/33/1182490733.db2.gz GSQHNDMZEVYXSL-QGZVFWFLSA-N 2 0 367.538 0.424 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789588 1182839360 /nfs/dbraw/zinc/83/93/60/1182839360.db2.gz QAVGFIFALQXXDW-IGERKEGBSA-N 2 0 365.518 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795219 1182847285 /nfs/dbraw/zinc/84/72/85/1182847285.db2.gz ZFEPDECOLAINCV-DWMDIXPDSA-N 2 0 362.518 0.772 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237935 1182967315 /nfs/dbraw/zinc/96/73/15/1182967315.db2.gz PSJFVWYWFLTMMN-SQNIBIBYSA-N 2 0 367.538 0.111 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104874256 1182969072 /nfs/dbraw/zinc/96/90/72/1182969072.db2.gz QQJJTPAEESUIMH-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104872565 1182969935 /nfs/dbraw/zinc/96/99/35/1182969935.db2.gz OBIMZACSGYDTOG-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104908409 1182990610 /nfs/dbraw/zinc/99/06/10/1182990610.db2.gz VVGYTCSOMBUGIO-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908242 1182991263 /nfs/dbraw/zinc/99/12/63/1182991263.db2.gz ONOPKZGSIPMZKD-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001104966873 1183026487 /nfs/dbraw/zinc/02/64/87/1183026487.db2.gz IUSOGQBRQBGZPX-HZPDHXFCSA-N 2 0 363.506 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001105008138 1183067152 /nfs/dbraw/zinc/06/71/52/1183067152.db2.gz RLOOFEHXDPHZCB-OAGGEKHMSA-N 2 0 366.485 0.774 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)[NH+](C)C ZINC000974583215 1183362654 /nfs/dbraw/zinc/36/26/54/1183362654.db2.gz HAAIRTRXVLVNEP-ZACQAIPSSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cn(CC4CC4)nn3)C2)CC[N@@H+]1C ZINC001026851264 1183411469 /nfs/dbraw/zinc/41/14/69/1183411469.db2.gz AVWAGVYQEKOWAY-UWWQBHOKSA-N 2 0 360.506 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001026852744 1183415759 /nfs/dbraw/zinc/41/57/59/1183415759.db2.gz PYEYDJIMLYVEEG-RBSFLKMASA-N 2 0 362.478 0.087 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001026855690 1183425078 /nfs/dbraw/zinc/42/50/78/1183425078.db2.gz LMOPLWHOLLLPGE-HRCADAONSA-N 2 0 363.510 0.752 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CN(CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752047 1183518186 /nfs/dbraw/zinc/51/81/86/1183518186.db2.gz KEOOKSLSBIIBRB-BMFZPTHFSA-N 2 0 366.506 0.153 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001211662198 1183836069 /nfs/dbraw/zinc/83/60/69/1183836069.db2.gz VQZSMQJZRIEGKO-OKZBNKHCSA-N 2 0 370.497 0.801 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC000975617534 1183946132 /nfs/dbraw/zinc/94/61/32/1183946132.db2.gz UWPZIOODSKMEOU-SZMVWBNQSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)CC1 ZINC000975714324 1185625432 /nfs/dbraw/zinc/62/54/32/1185625432.db2.gz FQCFSOSFHQMHPP-WMZOPIPTSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1 ZINC000975718024 1185634226 /nfs/dbraw/zinc/63/42/26/1185634226.db2.gz BKITWAOZARADSG-SZMVWBNQSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)[NH+](C)C ZINC000975822432 1185818883 /nfs/dbraw/zinc/81/88/83/1185818883.db2.gz SPYGAMNSIGMPQQ-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529557 1186079310 /nfs/dbraw/zinc/07/93/10/1186079310.db2.gz FTBHGHSFLTZBRC-JVPBZIDWSA-N 2 0 368.497 0.903 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112529795 1186093062 /nfs/dbraw/zinc/09/30/62/1186093062.db2.gz PPPAOZBOYHLXCD-AOIWGVFYSA-N 2 0 360.506 0.981 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)C[C@H](C)O1 ZINC000662379674 1186121758 /nfs/dbraw/zinc/12/17/58/1186121758.db2.gz GYWGTTJSVRMSCE-GJZGRUSLSA-N 2 0 372.473 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001027893303 1186197869 /nfs/dbraw/zinc/19/78/69/1186197869.db2.gz RTJQMXCVDGYBRP-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP COc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001027966773 1186240803 /nfs/dbraw/zinc/24/08/03/1186240803.db2.gz UWWRIAMZDHKBAI-HYVNUMGLSA-N 2 0 362.474 0.890 20 0 FCADRP O=C(NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000981784901 1186521000 /nfs/dbraw/zinc/52/10/00/1186521000.db2.gz VIKDIFYGVUIZGU-JKSUJKDBSA-N 2 0 360.502 0.579 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CCN2CCCC2=O)CC1 ZINC000981989073 1186610453 /nfs/dbraw/zinc/61/04/53/1186610453.db2.gz KCDVRFAMHGAXQZ-HZPDHXFCSA-N 2 0 359.474 0.680 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)[C@@H]1CC)[NH+](C)C ZINC001691499322 1186639431 /nfs/dbraw/zinc/63/94/31/1186639431.db2.gz WLLVXHYTGXVTOG-NXOAAHMSSA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306590 1186728891 /nfs/dbraw/zinc/72/88/91/1186728891.db2.gz URKPDTQHMTYWSU-TZNWLIJBSA-N 2 0 366.506 0.140 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@]3(C)C[N@H+](C[C@@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306626 1186729039 /nfs/dbraw/zinc/72/90/39/1186729039.db2.gz VRSJPJKMHQNVAR-DSJDWBEOSA-N 2 0 365.518 0.912 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)CCn3ccnc3)C2)CC[N@@H+]1C ZINC000983032792 1187817683 /nfs/dbraw/zinc/81/76/83/1187817683.db2.gz KVVOHZARJXNYOR-IXDOHACOSA-N 2 0 361.490 0.968 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813702 1187914993 /nfs/dbraw/zinc/91/49/93/1187914993.db2.gz MRQGPJHUFWWUJS-BRWVUGGUSA-N 2 0 369.469 0.861 20 0 FCADRP C[NH+](C)CCC(=O)N1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001270061300 1187985255 /nfs/dbraw/zinc/98/52/55/1187985255.db2.gz LJRDXCYCNYCLLO-UHFFFAOYSA-N 2 0 363.462 0.335 20 0 FCADRP C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C(=O)C[NH+]2CCCC2)C3)CC1 ZINC001270096723 1188005444 /nfs/dbraw/zinc/00/54/44/1188005444.db2.gz ZDVRMBWOGUBADZ-UHFFFAOYSA-N 2 0 360.462 0.172 20 0 FCADRP Cn1cncc1CN1CC[C@]2(CCCN2C(=O)[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001270333782 1188098471 /nfs/dbraw/zinc/09/84/71/1188098471.db2.gz WBLHSSWCWOTMNQ-DNVCBOLYSA-N 2 0 359.474 0.855 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CCn2ccnc2)C3=O)C1 ZINC001270332492 1188100235 /nfs/dbraw/zinc/10/02/35/1188100235.db2.gz KIGYLVLBAFLVSN-APWZRJJASA-N 2 0 359.474 0.818 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)[NH+]1CCCC1 ZINC001270491751 1188172004 /nfs/dbraw/zinc/17/20/04/1188172004.db2.gz XLEWSCBUQMTSDG-DNVCBOLYSA-N 2 0 364.490 0.400 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000550036676 1188215019 /nfs/dbraw/zinc/21/50/19/1188215019.db2.gz ZSYHMTJNHVEYRC-OAHLLOKOSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000550094614 1188223356 /nfs/dbraw/zinc/22/33/56/1188223356.db2.gz CQFLBWPUFLTAMR-QGZVFWFLSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409827 1188356705 /nfs/dbraw/zinc/35/67/05/1188356705.db2.gz BNVXEIMUMZXYQW-RBUKOAKNSA-N 2 0 372.513 0.972 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001087529873 1189385070 /nfs/dbraw/zinc/38/50/70/1189385070.db2.gz XBZYPUPFFXHQNY-BBWFWOEESA-N 2 0 362.474 0.890 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000550455598 1189491155 /nfs/dbraw/zinc/49/11/55/1189491155.db2.gz ARCUCOPEBGOWKT-OIISXLGYSA-N 2 0 366.506 0.058 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000550457947 1189504693 /nfs/dbraw/zinc/50/46/93/1189504693.db2.gz IVFWZCQRXNCREC-QGZVFWFLSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087712698 1189800134 /nfs/dbraw/zinc/80/01/34/1189800134.db2.gz WKESLBZMFQWCQI-FGTMMUONSA-N 2 0 363.506 0.555 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001087774004 1189819872 /nfs/dbraw/zinc/81/98/72/1189819872.db2.gz SSJMNPKGMIREBD-DLBZAZTESA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895912000 1189896026 /nfs/dbraw/zinc/89/60/26/1189896026.db2.gz TVUYHPWREAXZFS-UHFFFAOYSA-N 2 0 373.501 0.560 20 0 FCADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n[nH]1 ZINC000896154731 1189976993 /nfs/dbraw/zinc/97/69/93/1189976993.db2.gz FRQTWLYKJFWGHY-QGZVFWFLSA-N 2 0 374.489 0.557 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001087966631 1190020961 /nfs/dbraw/zinc/02/09/61/1190020961.db2.gz MNJBIEXPPLLFAP-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469089 1190064221 /nfs/dbraw/zinc/06/42/21/1190064221.db2.gz UWCIXMDFVYEOOW-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995006 1190148527 /nfs/dbraw/zinc/14/85/27/1190148527.db2.gz NUBWFLLYBHMHDG-RYRKJORJSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013944 1190215730 /nfs/dbraw/zinc/21/57/30/1190215730.db2.gz AKNGOTHRHSXDMT-IXDOHACOSA-N 2 0 363.506 0.276 20 0 FCADRP O=C([C@@H]1CCc2nccn2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018579 1190230934 /nfs/dbraw/zinc/23/09/34/1190230934.db2.gz CVIQKLBEACFHNB-ZACQAIPSSA-N 2 0 369.473 0.518 20 0 FCADRP O=C(N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026266 1190261257 /nfs/dbraw/zinc/26/12/57/1190261257.db2.gz ZXSNZZIRCJZYLC-SJORKVTESA-N 2 0 358.490 0.687 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041810 1190299285 /nfs/dbraw/zinc/29/92/85/1190299285.db2.gz KPQLWNBYBQOBEG-UKPHBRMFSA-N 2 0 355.442 0.992 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985164438 1190661515 /nfs/dbraw/zinc/66/15/15/1190661515.db2.gz QASDMTBZVYCQLV-JKSUJKDBSA-N 2 0 360.502 0.674 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000985829797 1190827459 /nfs/dbraw/zinc/82/74/59/1190827459.db2.gz SWPOMDYYBFPIKQ-IAGOWNOFSA-N 2 0 365.522 0.617 20 0 FCADRP CC(C)CCOCCN1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595139 1224115851 /nfs/dbraw/zinc/11/58/51/1224115851.db2.gz LQAGQFUWWUHZEG-KSZLIROESA-N 2 0 369.506 0.291 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)[NH+](C)C ZINC000986424238 1190986724 /nfs/dbraw/zinc/98/67/24/1190986724.db2.gz JBMQIPKOEXGUTF-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C1)C1CCC1 ZINC000986782085 1191095893 /nfs/dbraw/zinc/09/58/93/1191095893.db2.gz OOORZNFITNMFPY-CABCVRRESA-N 2 0 359.474 0.743 20 0 FCADRP CCN1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361873 1191193549 /nfs/dbraw/zinc/19/35/49/1191193549.db2.gz FNPYLYPIJIATTL-HYVNUMGLSA-N 2 0 366.506 0.297 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532618290 1191200316 /nfs/dbraw/zinc/20/03/16/1191200316.db2.gz MRXRLQODQPPAQX-MSOLQXFVSA-N 2 0 368.522 0.774 20 0 FCADRP O=C(CCN1CC[NH2+]CC1)c1ccc2nc(O[C@H]3C[NH2+]CCOC3)oc2c1 ZINC001218042473 1224137085 /nfs/dbraw/zinc/13/70/85/1224137085.db2.gz PCFNWNYZOMPHGR-HNNXBMFYSA-N 2 0 374.441 0.673 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582213 1193734207 /nfs/dbraw/zinc/73/42/07/1193734207.db2.gz VSMKPLAWWHFQFE-IXDOHACOSA-N 2 0 360.506 0.888 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2nccn21 ZINC001218499326 1224164184 /nfs/dbraw/zinc/16/41/84/1224164184.db2.gz RKZKHILSAHQHQA-KBPBESRZSA-N 2 0 358.446 0.720 20 0 FCADRP CN1CCC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001691620969 1193807934 /nfs/dbraw/zinc/80/79/34/1193807934.db2.gz MSSCDFXHZLNYPD-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550902377 1193819390 /nfs/dbraw/zinc/81/93/90/1193819390.db2.gz HSPCMPSYFBEVIA-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088708536 1193827983 /nfs/dbraw/zinc/82/79/83/1193827983.db2.gz XHDHCACSLQSAFC-CJNGLKHVSA-N 2 0 369.425 0.676 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000551073777 1193831566 /nfs/dbraw/zinc/83/15/66/1193831566.db2.gz IWIIFBWWOYOJIP-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP Cc1ccc(CCNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000551135232 1193835030 /nfs/dbraw/zinc/83/50/30/1193835030.db2.gz UZWVALVXILCIBL-UHFFFAOYSA-N 2 0 364.490 0.731 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551139968 1193836887 /nfs/dbraw/zinc/83/68/87/1193836887.db2.gz OBKHIGKWMCJVJM-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000551931180 1193877272 /nfs/dbraw/zinc/87/72/72/1193877272.db2.gz KWJVXAJWBUNJIQ-FGYAAKKASA-N 2 0 366.550 0.576 20 0 FCADRP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)no1 ZINC001075975268 1193890118 /nfs/dbraw/zinc/89/01/18/1193890118.db2.gz XFBHMRLXCVOLPF-WMLDXEAASA-N 2 0 358.446 0.779 20 0 FCADRP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)no1 ZINC001075976317 1193890212 /nfs/dbraw/zinc/89/02/12/1193890212.db2.gz VXLNRSNLBLSBAV-XJKSGUPXSA-N 2 0 359.434 0.174 20 0 FCADRP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)no1 ZINC001075976080 1193890330 /nfs/dbraw/zinc/89/03/30/1193890330.db2.gz IKSSZMJJFLEKQD-APHBMKBZSA-N 2 0 361.446 0.113 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc4nonc4c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473307 1193902870 /nfs/dbraw/zinc/90/28/70/1193902870.db2.gz UNQABSNQPMMISJ-ZPUIDXCVSA-N 2 0 359.430 0.224 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475135 1193908113 /nfs/dbraw/zinc/90/81/13/1193908113.db2.gz UGMATKXMMDRMLL-MANSERQUSA-N 2 0 361.486 0.571 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667275 1193929319 /nfs/dbraw/zinc/92/93/19/1193929319.db2.gz AFEMMLHNZIMQMK-ZAWLATJESA-N 2 0 364.490 0.540 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000552630889 1193944771 /nfs/dbraw/zinc/94/47/71/1193944771.db2.gz KSGBCAFHSNWJDB-QGZVFWFLSA-N 2 0 366.506 0.015 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553097357 1193971366 /nfs/dbraw/zinc/97/13/66/1193971366.db2.gz ZRUYAFWIUROQLS-HNNXBMFYSA-N 2 0 370.538 0.839 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553514189 1194004380 /nfs/dbraw/zinc/00/43/80/1194004380.db2.gz KCAQKSYAXCDQCF-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001218642074 1224188313 /nfs/dbraw/zinc/18/83/13/1224188313.db2.gz OURXKUDVEOLRFO-UHFFFAOYSA-N 2 0 368.441 0.762 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000842147399 1194057307 /nfs/dbraw/zinc/05/73/07/1194057307.db2.gz BQJYPOGWRYODBK-DLBZAZTESA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810265 1194063127 /nfs/dbraw/zinc/06/31/27/1194063127.db2.gz RPUGDJFLSINAQI-IKGGRYGDSA-N 2 0 365.522 0.713 20 0 FCADRP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218662147 1224192363 /nfs/dbraw/zinc/19/23/63/1224192363.db2.gz WJHIDLCNMHSJSD-CQSZACIVSA-N 2 0 372.429 0.378 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000842232067 1194106161 /nfs/dbraw/zinc/10/61/61/1194106161.db2.gz CXYDFWHNZGPJES-SFHVURJKSA-N 2 0 360.502 0.735 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000842232042 1194106255 /nfs/dbraw/zinc/10/62/55/1194106255.db2.gz VSBPECYBSRBKPU-GOSISDBHSA-N 2 0 358.486 0.891 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228903 1194108170 /nfs/dbraw/zinc/10/81/70/1194108170.db2.gz CDKDGWRPSWFWQX-ZWKOTPCHSA-N 2 0 358.486 0.747 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)C2)CC1 ZINC000842229536 1194108959 /nfs/dbraw/zinc/10/89/59/1194108959.db2.gz QPCOZXZZMFFMNZ-LJQANCHMSA-N 2 0 372.513 0.994 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842230250 1194109020 /nfs/dbraw/zinc/10/90/20/1194109020.db2.gz WTPRYNMPPYDBDD-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792295 1194164639 /nfs/dbraw/zinc/16/46/39/1194164639.db2.gz RJOMSHIBVFALAW-YKTARERQSA-N 2 0 363.506 0.465 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218695040 1224197975 /nfs/dbraw/zinc/19/79/75/1224197975.db2.gz JVNBGVDIZNSOSI-AWEZNQCLSA-N 2 0 359.474 0.908 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001218702567 1224199100 /nfs/dbraw/zinc/19/91/00/1224199100.db2.gz UDQLRMYGPBUEOE-MRXNPFEDSA-N 2 0 356.430 0.538 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218714026 1224201833 /nfs/dbraw/zinc/20/18/33/1224201833.db2.gz WMHDTYMJLKWDRN-HIFRSBDPSA-N 2 0 357.414 0.724 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC001076070472 1194291939 /nfs/dbraw/zinc/29/19/39/1194291939.db2.gz KYFWCKRZZPBIGP-LWLVAEKPSA-N 2 0 368.481 0.978 20 0 FCADRP CC(=O)[C@H](C)N1C(=O)C[C@@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794353 1224208532 /nfs/dbraw/zinc/20/85/32/1224208532.db2.gz HRIHURKQSISFCJ-ZBQZNYHESA-N 2 0 367.490 0.554 20 0 FCADRP O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218744286 1224210113 /nfs/dbraw/zinc/21/01/13/1224210113.db2.gz DHZKDIUHGIXQGN-CQSZACIVSA-N 2 0 356.430 0.371 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206467 1194353560 /nfs/dbraw/zinc/35/35/60/1194353560.db2.gz PUTFEQWWQMQKLA-ZWKOTPCHSA-N 2 0 360.506 0.769 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc2ccccn2n1 ZINC001218755010 1224213454 /nfs/dbraw/zinc/21/34/54/1224213454.db2.gz DPLAIPUINHTBAX-GJZGRUSLSA-N 2 0 358.446 0.720 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324044 1194396396 /nfs/dbraw/zinc/39/63/96/1194396396.db2.gz LBDPMTLXZGOVQM-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076418982 1194467643 /nfs/dbraw/zinc/46/76/43/1194467643.db2.gz ZLHKFJZFHXYDSG-RCCFBDPRSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)C1 ZINC001076567638 1194573319 /nfs/dbraw/zinc/57/33/19/1194573319.db2.gz CRIUKIGHRBEHAR-OFQRWUPVSA-N 2 0 370.457 0.007 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076571445 1194576556 /nfs/dbraw/zinc/57/65/56/1194576556.db2.gz KBKZCAVRMQFIFN-RYQLBKOJSA-N 2 0 360.502 0.768 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795982 1224226636 /nfs/dbraw/zinc/22/66/36/1224226636.db2.gz SWVGXQLLFYMAFL-BEFAXECRSA-N 2 0 368.522 0.281 20 0 FCADRP COCCCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795997 1224228305 /nfs/dbraw/zinc/22/83/05/1224228305.db2.gz SYBXJHDJKYJYTE-DNVCBOLYSA-N 2 0 369.506 0.613 20 0 FCADRP N[C@H](C[NH3+])c1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC001218882275 1224247331 /nfs/dbraw/zinc/24/73/31/1224247331.db2.gz KVSIOAOBAQRCQR-QGZVFWFLSA-N 2 0 367.453 0.943 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2O)n1 ZINC001077014113 1195149001 /nfs/dbraw/zinc/14/90/01/1195149001.db2.gz DHEZKUYXJAGJTA-QZTJIDSGSA-N 2 0 363.506 0.800 20 0 FCADRP C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001218945102 1224269308 /nfs/dbraw/zinc/26/93/08/1224269308.db2.gz JSELILLDQBVVTI-BBEJJTJUSA-N 2 0 355.442 0.684 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001077219727 1195328268 /nfs/dbraw/zinc/32/82/68/1195328268.db2.gz VQHBGJRGJRUZOQ-KURKYZTESA-N 2 0 365.518 0.839 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218971313 1224275710 /nfs/dbraw/zinc/27/57/10/1224275710.db2.gz XZNGGBBTXJTWKO-OKZBNKHCSA-N 2 0 369.506 0.291 20 0 FCADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)cc2)CCC1 ZINC001218972302 1224276940 /nfs/dbraw/zinc/27/69/40/1224276940.db2.gz KMPOBRJOCXYMRO-OAHLLOKOSA-N 2 0 367.457 0.901 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300126 1195399665 /nfs/dbraw/zinc/39/96/65/1195399665.db2.gz YZDANBOENDQTGU-QZTJIDSGSA-N 2 0 365.518 0.983 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077309053 1195410296 /nfs/dbraw/zinc/41/02/96/1195410296.db2.gz YUYPILWKEOADCP-BRWVUGGUSA-N 2 0 358.442 0.924 20 0 FCADRP COC(=O)c1c[nH]c2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc12 ZINC001218985420 1224278892 /nfs/dbraw/zinc/27/88/92/1224278892.db2.gz HJVMTKOXBCXQPB-OAHLLOKOSA-N 2 0 359.430 0.643 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077311929 1195414451 /nfs/dbraw/zinc/41/44/51/1195414451.db2.gz FRXCLTIKHCQIQB-KBRIMQKVSA-N 2 0 371.441 0.026 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396020 1195494104 /nfs/dbraw/zinc/49/41/04/1195494104.db2.gz KVMNCIRTLMYZJA-IAOVAPTHSA-N 2 0 371.441 0.026 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418119 1195517535 /nfs/dbraw/zinc/51/75/35/1195517535.db2.gz JMCCFIMTVRTZBB-SYJBPTKTSA-N 2 0 363.502 0.591 20 0 FCADRP Cn1ccc(C2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)n1 ZINC000905721092 1195598491 /nfs/dbraw/zinc/59/84/91/1195598491.db2.gz GPSSREBEQXHENN-UHFFFAOYSA-N 2 0 360.462 0.573 20 0 FCADRP O=C(Nc1ccccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cnccn1 ZINC001219020512 1224295355 /nfs/dbraw/zinc/29/53/55/1224295355.db2.gz BGOUZLHGBAPPHU-LBPRGKRZSA-N 2 0 352.398 0.476 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907553904 1195700369 /nfs/dbraw/zinc/70/03/69/1195700369.db2.gz LCNWXDDHRJFBED-NRFANRHFSA-N 2 0 374.529 0.575 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236563 1195735686 /nfs/dbraw/zinc/73/56/86/1195735686.db2.gz GRZZMQABBWJWEV-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000910817073 1195845766 /nfs/dbraw/zinc/84/57/66/1195845766.db2.gz XJETXCLJAIXPHZ-RBUKOAKNSA-N 2 0 370.497 0.741 20 0 FCADRP O=C(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842516 1195849429 /nfs/dbraw/zinc/84/94/29/1195849429.db2.gz DRQVLUXVUTVJGY-KRWDZBQOSA-N 2 0 371.485 0.863 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000910833044 1195851348 /nfs/dbraw/zinc/85/13/48/1195851348.db2.gz ZHNXJILKHZIWEI-INIZCTEOSA-N 2 0 359.474 0.673 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000910832270 1195851587 /nfs/dbraw/zinc/85/15/87/1195851587.db2.gz MAPXDAQUZUGLMV-SJLPKXTDSA-N 2 0 371.485 0.815 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644514 1195931971 /nfs/dbraw/zinc/93/19/71/1195931971.db2.gz KMHDGBRANXMLBG-SJORKVTESA-N 2 0 371.441 0.122 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000911324393 1195933082 /nfs/dbraw/zinc/93/30/82/1195933082.db2.gz BVBDPNRZNBMTPA-BRSBDYLESA-N 2 0 356.470 0.860 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000911324396 1195933768 /nfs/dbraw/zinc/93/37/68/1195933768.db2.gz BVBDPNRZNBMTPA-ZJPYXAASSA-N 2 0 356.470 0.860 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000911350128 1195939689 /nfs/dbraw/zinc/93/96/89/1195939689.db2.gz AMCVGWZWAJXPBQ-XYVMCAHJSA-N 2 0 358.486 0.676 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1=O ZINC000911872320 1196316220 /nfs/dbraw/zinc/31/62/20/1196316220.db2.gz KHBPLTGDVAVAOP-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592958971 1196600532 /nfs/dbraw/zinc/60/05/32/1196600532.db2.gz BKKRSBLKTAYEME-GDBMZVCRSA-N 2 0 363.506 0.884 20 0 FCADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219116379 1224359831 /nfs/dbraw/zinc/35/98/31/1224359831.db2.gz MGDKQZUVQGOVEO-INIZCTEOSA-N 2 0 357.458 0.151 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)on1 ZINC001105945337 1196748462 /nfs/dbraw/zinc/74/84/62/1196748462.db2.gz UAVSOUZMNPLJDR-BPLDGKMQSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2cc(-n3ccnc3)ccn2)CC[N@@H+]1CCn1cncn1 ZINC001088956973 1196847853 /nfs/dbraw/zinc/84/78/53/1196847853.db2.gz BNXMNBUIHBXEHS-ZBFHGGJFSA-N 2 0 366.429 0.752 20 0 FCADRP COC(=O)c1cc(F)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C)c1F ZINC001219186445 1224380435 /nfs/dbraw/zinc/38/04/35/1224380435.db2.gz LAEYKEPWXUYHQQ-CYBMUJFWSA-N 2 0 370.400 0.749 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219193889 1224382296 /nfs/dbraw/zinc/38/22/96/1224382296.db2.gz QHYQWQGITVKWFB-HUUCEWRRSA-N 2 0 372.391 0.629 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060421580 1197124159 /nfs/dbraw/zinc/12/41/59/1197124159.db2.gz ZJVSUXQWBMBGKY-ARFHVFGLSA-N 2 0 361.490 0.830 20 0 FCADRP C[C@H](CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949062 1197157112 /nfs/dbraw/zinc/15/71/12/1197157112.db2.gz MIZOOBUZGUNJKD-LSTHTHJFSA-N 2 0 362.518 0.969 20 0 FCADRP [NH3+][C@H]1CCCN(c2ccc(NC(=O)CN3CCCC[C@H]([NH3+])C3=O)cc2)C1 ZINC001219232404 1224395206 /nfs/dbraw/zinc/39/52/06/1224395206.db2.gz BRLCWPZOKPWIOH-YOEHRIQHSA-N 2 0 359.474 0.892 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5nc[nH]c54)CC3)[C@H]2C1 ZINC001272521985 1197250439 /nfs/dbraw/zinc/25/04/39/1197250439.db2.gz OUZOEPOVJYZFOW-RDBSUJKOSA-N 2 0 357.458 0.498 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149839 1197309304 /nfs/dbraw/zinc/30/93/04/1197309304.db2.gz VLOYPZXOBCAUJY-QBPKDAKJSA-N 2 0 367.538 0.718 20 0 FCADRP Nc1c(F)cccc1N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219281049 1224412707 /nfs/dbraw/zinc/41/27/07/1224412707.db2.gz WDLGIVNQXOSKFW-BFUOFWGJSA-N 3 0 361.465 0.692 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280794 1224412763 /nfs/dbraw/zinc/41/27/63/1224412763.db2.gz MRFGOADSYUJFBQ-ZDUSSCGKSA-N 2 0 366.441 0.269 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000914399688 1197534082 /nfs/dbraw/zinc/53/40/82/1197534082.db2.gz QLLFWTWMMNNNAA-QGZVFWFLSA-N 2 0 362.474 0.901 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945923 1197619030 /nfs/dbraw/zinc/61/90/30/1197619030.db2.gz ZPGCTPLRABZILU-QINHECLXSA-N 2 0 362.518 0.729 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719708 1197652117 /nfs/dbraw/zinc/65/21/17/1197652117.db2.gz RXISNQHHUJUFTQ-KURKYZTESA-N 2 0 363.506 0.246 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106198861 1197666417 /nfs/dbraw/zinc/66/64/17/1197666417.db2.gz QKILGNBJKQCPPI-DJIMGWMZSA-N 2 0 370.513 0.877 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106245893 1197779954 /nfs/dbraw/zinc/77/99/54/1197779954.db2.gz FPGSKUMTDVLZRU-ZACQAIPSSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106255637 1197793231 /nfs/dbraw/zinc/79/32/31/1197793231.db2.gz BSPIHRRQSVVXCX-JFIYKMOQSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106256072 1197794288 /nfs/dbraw/zinc/79/42/88/1197794288.db2.gz WPFTUACRCPHUSI-ZIAGYGMSSA-N 2 0 363.462 0.782 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001085295637 1197801489 /nfs/dbraw/zinc/80/14/89/1197801489.db2.gz QWNBJXWLNGROCE-RBSFLKMASA-N 2 0 364.490 0.683 20 0 FCADRP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001085394780 1197863246 /nfs/dbraw/zinc/86/32/46/1197863246.db2.gz DKZDLIBPTQAFBA-IAGOWNOFSA-N 2 0 358.486 0.998 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322680 1197863526 /nfs/dbraw/zinc/86/35/26/1197863526.db2.gz QBTYVZZOAZQXQG-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085394612 1197863619 /nfs/dbraw/zinc/86/36/19/1197863619.db2.gz UFMXUSVABJWFKP-BZUAXINKSA-N 2 0 364.490 0.494 20 0 FCADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735587987 1197864717 /nfs/dbraw/zinc/86/47/17/1197864717.db2.gz DAQJUSSKJGFJLS-UHFFFAOYSA-N 2 0 361.490 0.833 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106336104 1197868255 /nfs/dbraw/zinc/86/82/55/1197868255.db2.gz CJJOBGNQZAARAA-HZSPNIEDSA-N 2 0 369.510 0.245 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001106340469 1197870305 /nfs/dbraw/zinc/87/03/05/1197870305.db2.gz YXTYUXNVYHCUPX-ZIAGYGMSSA-N 2 0 363.510 0.922 20 0 FCADRP Cc1nc2c([nH]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106343250 1197872015 /nfs/dbraw/zinc/87/20/15/1197872015.db2.gz WCMRLBGKEIPKJP-VHDGCEQUSA-N 2 0 361.490 0.595 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106431984 1197921793 /nfs/dbraw/zinc/92/17/93/1197921793.db2.gz OVLIUZQYDHCBJB-UKRRQHHQSA-N 2 0 355.442 0.911 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085606824 1197955344 /nfs/dbraw/zinc/95/53/44/1197955344.db2.gz ZCFAWACWRBNNOL-HRCADAONSA-N 2 0 364.490 0.398 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001106600265 1198029422 /nfs/dbraw/zinc/02/94/22/1198029422.db2.gz XBIAAMPLJGOGLT-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[NH+]2CCCC2)CC1 ZINC000180045968 1198110957 /nfs/dbraw/zinc/11/09/57/1198110957.db2.gz HZAQDZONTLDCHX-UHFFFAOYSA-N 2 0 362.478 0.690 20 0 FCADRP C[C@@H](C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12)[NH+](C)C ZINC001273408776 1198240957 /nfs/dbraw/zinc/24/09/57/1198240957.db2.gz JXXRFULJCSGQFK-XIRDDKMYSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CCNCC2(F)F)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453697 1224476488 /nfs/dbraw/zinc/47/64/88/1224476488.db2.gz NNGRWCULOQVGMW-HUUCEWRRSA-N 2 0 366.412 0.810 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001219489575 1224485886 /nfs/dbraw/zinc/48/58/86/1224485886.db2.gz RBFIXAWYGVAOTM-IBGZPJMESA-N 2 0 361.490 0.855 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219501790 1224488933 /nfs/dbraw/zinc/48/89/33/1224488933.db2.gz YSFYUILMGQBXFX-SGTLLEGYSA-N 3 0 361.446 0.273 20 0 FCADRP COc1cc2c(cc1NC(=O)CC1([NH3+])CCOCC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503480 1224489907 /nfs/dbraw/zinc/48/99/07/1224489907.db2.gz KUHVGDMWFGUAIX-IBGZPJMESA-N 2 0 374.441 0.715 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504566 1224491273 /nfs/dbraw/zinc/49/12/73/1224491273.db2.gz VARBUHCOLCGNBO-VQIMIIECSA-N 3 0 373.457 0.144 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219537751 1224502507 /nfs/dbraw/zinc/50/25/07/1224502507.db2.gz PRLGLPUWBLERFZ-RSUWNVLCSA-N 2 0 360.458 0.951 20 0 FCADRP Cc1nc(CC[NH3+])nn1-c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC001168984188 1199041065 /nfs/dbraw/zinc/04/10/65/1199041065.db2.gz XZHBLTVJRPTOMP-UHFFFAOYSA-N 2 0 352.446 0.772 20 0 FCADRP C[NH+]1CCN(c2nc3ccccc3nc2-n2cncc2C[C@@H]([NH3+])CO)CC1 ZINC001169067795 1199045258 /nfs/dbraw/zinc/04/52/58/1199045258.db2.gz YMEZBDNLIOSBQL-CQSZACIVSA-N 3 0 367.457 0.429 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398449 1199064999 /nfs/dbraw/zinc/06/49/99/1199064999.db2.gz RKFZKHMROFXNJT-VSZNYVQBSA-N 2 0 370.490 0.766 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369678 1199131111 /nfs/dbraw/zinc/13/11/11/1199131111.db2.gz CWSQRYXYRZFYJG-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219635746 1224539666 /nfs/dbraw/zinc/53/96/66/1224539666.db2.gz PUOSQYVMGOAHTO-MPGHIAIKSA-N 2 0 359.449 0.930 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)NC[C@H]3C[NH2+][C@H](C)C3)cc(=O)oc2c1 ZINC001219684719 1224560021 /nfs/dbraw/zinc/56/00/21/1224560021.db2.gz RACBJVDLSDQPIQ-HSMVNMDESA-N 2 0 359.426 0.786 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)CNC1 ZINC001219722844 1224576144 /nfs/dbraw/zinc/57/61/44/1224576144.db2.gz GAHSXXZTDOVWTJ-KRWDZBQOSA-N 2 0 360.477 0.916 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724129 1224576449 /nfs/dbraw/zinc/57/64/49/1224576449.db2.gz ZEGVGMRJXNZNKT-ZWKOTPCHSA-N 3 0 374.529 0.703 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)N2CCC[NH2+]CC2)cc1 ZINC001219737464 1224585935 /nfs/dbraw/zinc/58/59/35/1224585935.db2.gz WOFZCSJWUUHARM-RTBURBONSA-N 2 0 372.513 0.826 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739503 1224586123 /nfs/dbraw/zinc/58/61/23/1224586123.db2.gz QHIVODHBIXWZEF-MSOLQXFVSA-N 2 0 370.497 0.203 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737179 1224586421 /nfs/dbraw/zinc/58/64/21/1224586421.db2.gz QFGUMKGKCZZQNY-MSOLQXFVSA-N 2 0 358.486 0.345 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)N2CCC([NH3+])CC2)cc1 ZINC001219739709 1224588375 /nfs/dbraw/zinc/58/83/75/1224588375.db2.gz VQLFROLRCMAXAM-RTBURBONSA-N 2 0 372.513 0.954 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384900 1200089372 /nfs/dbraw/zinc/08/93/72/1200089372.db2.gz BLWBLPKRCZLCCH-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385426 1200097910 /nfs/dbraw/zinc/09/79/10/1200097910.db2.gz MNCLSLRHUBJBLC-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219745771 1224590878 /nfs/dbraw/zinc/59/08/78/1224590878.db2.gz BJDNVLFGBHZTTI-UHFFFAOYSA-N 2 0 369.473 0.395 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)c2ccco2)CC1 ZINC001219747213 1224592573 /nfs/dbraw/zinc/59/25/73/1224592573.db2.gz RXBLDPIXGGWUER-KRWDZBQOSA-N 2 0 373.461 0.145 20 0 FCADRP O=C(NC[C@]1(F)CCC[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219771403 1224606044 /nfs/dbraw/zinc/60/60/44/1224606044.db2.gz MEEUTIVAJHUPTC-YOEHRIQHSA-N 2 0 362.409 0.212 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219784963 1224612304 /nfs/dbraw/zinc/61/23/04/1224612304.db2.gz WZIVEAKZSPTQGT-INIZCTEOSA-N 2 0 370.457 0.652 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717141 1200475500 /nfs/dbraw/zinc/47/55/00/1200475500.db2.gz BFUFMCZAZAJMKE-RANZSIQMSA-N 2 0 366.506 0.345 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219790749 1224614320 /nfs/dbraw/zinc/61/43/20/1224614320.db2.gz KROSBORZSXZTBF-QRQLOZEOSA-N 2 0 359.518 0.930 20 0 FCADRP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219794103 1224615627 /nfs/dbraw/zinc/61/56/27/1224615627.db2.gz QOHZQZCYCHBVCN-INIZCTEOSA-N 3 0 359.518 0.930 20 0 FCADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219794104 1224615673 /nfs/dbraw/zinc/61/56/73/1224615673.db2.gz QOHZQZCYCHBVCN-MRXNPFEDSA-N 3 0 359.518 0.930 20 0 FCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCC1 ZINC001109847767 1200559991 /nfs/dbraw/zinc/55/99/91/1200559991.db2.gz GLYVMXRQWACZQV-IKGGRYGDSA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001109980116 1200663112 /nfs/dbraw/zinc/66/31/12/1200663112.db2.gz JEVNIZPBUCPPDJ-OWSLCNJRSA-N 2 0 369.506 0.482 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006930 1200698983 /nfs/dbraw/zinc/69/89/83/1200698983.db2.gz AERFARSHGUNZRG-OWSLCNJRSA-N 2 0 371.522 0.464 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393213 1200706052 /nfs/dbraw/zinc/70/60/52/1200706052.db2.gz DFZNVEYHFOSHJB-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219809440 1224628252 /nfs/dbraw/zinc/62/82/52/1224628252.db2.gz KEVGEOOFDDVXSE-QGZVFWFLSA-N 2 0 359.430 0.566 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219811661 1224628505 /nfs/dbraw/zinc/62/85/05/1224628505.db2.gz YJEOWIJOZBRMTA-JLTOFOAXSA-N 2 0 367.453 0.663 20 0 FCADRP COc1ccc(C2(C(=O)NC[C@]34C[NH2+]C[C@H]3COC4)CC[NH2+]CC2)cc1 ZINC001219815434 1224631746 /nfs/dbraw/zinc/63/17/46/1224631746.db2.gz ZHVDOJMMLSYZHJ-LPHOPBHVSA-N 2 0 359.470 0.669 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112563336 1200795906 /nfs/dbraw/zinc/79/59/06/1200795906.db2.gz QVYKEPRXTQESBH-AOIWGVFYSA-N 2 0 360.506 0.838 20 0 FCADRP Cn1ccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563242 1200796159 /nfs/dbraw/zinc/79/61/59/1200796159.db2.gz MVWGJIXNQNAUFM-LPHOPBHVSA-N 2 0 363.506 0.717 20 0 FCADRP Cn1nccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563572 1200797587 /nfs/dbraw/zinc/79/75/87/1200797587.db2.gz BKJACTKCRATJLL-LPHOPBHVSA-N 2 0 363.506 0.717 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112565964 1200799508 /nfs/dbraw/zinc/79/95/08/1200799508.db2.gz CCXBDYNZONTDNV-YJBOKZPZSA-N 2 0 363.510 0.660 20 0 FCADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219815026 1224632343 /nfs/dbraw/zinc/63/23/43/1224632343.db2.gz RBTYLVNLDNWRMK-ZACQAIPSSA-N 2 0 366.469 0.749 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112568000 1200801797 /nfs/dbraw/zinc/80/17/97/1200801797.db2.gz RXEHJFYDJWZHME-DOXZYTNZSA-N 2 0 364.490 0.352 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112568002 1200802322 /nfs/dbraw/zinc/80/23/22/1200802322.db2.gz RXHJSIOAIMZWLV-MPGHIAIKSA-N 2 0 363.510 0.831 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578833 1200817593 /nfs/dbraw/zinc/81/75/93/1200817593.db2.gz JBBNCZILOFZSQJ-UWVAXJGDSA-N 2 0 364.534 0.929 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001112578697 1200817695 /nfs/dbraw/zinc/81/76/95/1200817695.db2.gz BMSVLYBUURDROY-GJYPPUQNSA-N 2 0 363.506 0.182 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111448 1200863714 /nfs/dbraw/zinc/86/37/14/1200863714.db2.gz YQAGRNLAMGKLTF-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111449 1200863867 /nfs/dbraw/zinc/86/38/67/1200863867.db2.gz YQAGRNLAMGKLTF-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000787911904 1200919805 /nfs/dbraw/zinc/91/98/05/1200919805.db2.gz QWXYTQLNWJVWJM-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219834144 1224645086 /nfs/dbraw/zinc/64/50/86/1224645086.db2.gz OKWCITCDUFEPFD-VYCZESIESA-N 2 0 360.458 0.244 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837095 1224647397 /nfs/dbraw/zinc/64/73/97/1224647397.db2.gz HRDGSVDYLUXURY-ZYSHUDEJSA-N 2 0 365.449 0.597 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219838650 1224647512 /nfs/dbraw/zinc/64/75/12/1224647512.db2.gz SNZZVFBEJYNSAK-SAJDGTNDSA-N 2 0 373.497 0.891 20 0 FCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nnnn1C ZINC000790263670 1201064441 /nfs/dbraw/zinc/06/44/41/1201064441.db2.gz AWYQNZPBJIDCJP-AWEZNQCLSA-N 2 0 373.465 0.178 20 0 FCADRP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000790273091 1201064563 /nfs/dbraw/zinc/06/45/63/1201064563.db2.gz CRKGYZBQSSBUTR-OAGGEKHMSA-N 2 0 359.474 0.869 20 0 FCADRP C[NH+](C)CCOC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365854 1201073768 /nfs/dbraw/zinc/07/37/68/1201073768.db2.gz HYYWTDZXAMOEEH-LJQANCHMSA-N 2 0 366.506 0.903 20 0 FCADRP O=C1O[C@@]2(CN1CN1CC[C@@H](C[NH+]3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368675 1201074717 /nfs/dbraw/zinc/07/47/17/1201074717.db2.gz OGWZXLAJIFPTGM-QFBILLFUSA-N 2 0 364.490 0.515 20 0 FCADRP O=C1O[C@]2(CN1CN1CC[C@H](C[NH+]3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368670 1201075946 /nfs/dbraw/zinc/07/59/46/1201075946.db2.gz OGWZXLAJIFPTGM-APWZRJJASA-N 2 0 364.490 0.515 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219847924 1224652376 /nfs/dbraw/zinc/65/23/76/1224652376.db2.gz TXXKSFFXLSTXOG-XLAORIBOSA-N 2 0 357.454 0.972 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219848312 1224653191 /nfs/dbraw/zinc/65/31/91/1224653191.db2.gz WQGIRZMZZRKWNB-GIYWUFHFSA-N 2 0 356.470 0.348 20 0 FCADRP COc1ccc(CC2(C(=O)N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CC[NH2+]CC2)cc1 ZINC001219856270 1224656246 /nfs/dbraw/zinc/65/62/46/1224656246.db2.gz FJBGCOTWXHOSBS-FGTMMUONSA-N 2 0 359.470 0.711 20 0 FCADRP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2O1 ZINC001219856333 1224656808 /nfs/dbraw/zinc/65/68/08/1224656808.db2.gz IMRMADUGJCUGNY-WBTNSWJXSA-N 2 0 361.442 0.305 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400745 1201306884 /nfs/dbraw/zinc/30/68/84/1201306884.db2.gz ZFKITVLSCQQJTH-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438529 1201317744 /nfs/dbraw/zinc/31/77/44/1201317744.db2.gz WBACEHHHTNVMLE-BBWFWOEESA-N 2 0 364.494 0.267 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129460751 1201327929 /nfs/dbraw/zinc/32/79/29/1201327929.db2.gz NVCIURHKVNJZBR-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910196 1201422279 /nfs/dbraw/zinc/42/22/79/1201422279.db2.gz HWEYQRAHPMLIRO-ZACQAIPSSA-N 2 0 366.510 0.632 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899754 1201432926 /nfs/dbraw/zinc/43/29/26/1201432926.db2.gz KJKIQVGKSGJVHI-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129919012 1201440804 /nfs/dbraw/zinc/44/08/04/1201440804.db2.gz OJTBLMQMZIXXQS-CVEARBPZSA-N 2 0 366.510 0.775 20 0 FCADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001219898214 1224674048 /nfs/dbraw/zinc/67/40/48/1224674048.db2.gz HTPFGGBUCDEZPQ-JKSUJKDBSA-N 2 0 364.490 0.315 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1n1ccnn1 ZINC001129945493 1201453570 /nfs/dbraw/zinc/45/35/70/1201453570.db2.gz OCPFOGDDUOLQBL-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1n1ccnn1 ZINC001129945593 1201453666 /nfs/dbraw/zinc/45/36/66/1201453666.db2.gz RZVGXTHHBDNTKX-OAGGEKHMSA-N 2 0 364.494 0.265 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983129 1201462392 /nfs/dbraw/zinc/46/23/92/1201462392.db2.gz NPOHFYXVHIUEMI-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1)OC ZINC001129992223 1201470410 /nfs/dbraw/zinc/47/04/10/1201470410.db2.gz SQQIYVYNTXFXAS-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129992073 1201470436 /nfs/dbraw/zinc/47/04/36/1201470436.db2.gz KGMRSUNLSBWRIS-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006151 1201476226 /nfs/dbraw/zinc/47/62/26/1201476226.db2.gz VVMWVJBNVJGTLD-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006186 1201476483 /nfs/dbraw/zinc/47/64/83/1201476483.db2.gz WZWYTPFRDJTUAS-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030663 1201480942 /nfs/dbraw/zinc/48/09/42/1201480942.db2.gz LMGQUSAOZYQGGP-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043948 1201484831 /nfs/dbraw/zinc/48/48/31/1201484831.db2.gz IGKUSOSWNPHBHV-ZACQAIPSSA-N 2 0 366.510 0.513 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001130085953 1201494287 /nfs/dbraw/zinc/49/42/87/1201494287.db2.gz FOUBSTRSHZZOCK-CVEARBPZSA-N 2 0 366.510 0.634 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001130079500 1201495980 /nfs/dbraw/zinc/49/59/80/1201495980.db2.gz NASJIANCAOSANG-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107371 1201502757 /nfs/dbraw/zinc/50/27/57/1201502757.db2.gz MNTDGOVKZPZWIU-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130107375 1201502931 /nfs/dbraw/zinc/50/29/31/1201502931.db2.gz MVJUSVKYWUPHQT-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130136971 1201513991 /nfs/dbraw/zinc/51/39/91/1201513991.db2.gz BUCFDXPCYMRXIU-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1)[NH+](C)C ZINC001130221055 1201551016 /nfs/dbraw/zinc/55/10/16/1201551016.db2.gz REEUHMHARJRNFG-ZNMIVQPWSA-N 2 0 364.494 0.633 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1)[NH+](C)C ZINC001130293160 1201579334 /nfs/dbraw/zinc/57/93/34/1201579334.db2.gz NIAUQUXLWZMECB-NUJGCVRESA-N 2 0 368.522 0.184 20 0 FCADRP CO[C@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298991 1201579877 /nfs/dbraw/zinc/57/98/77/1201579877.db2.gz QNOFFWVJTQCBQO-OGWOLHLISA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130298934 1201579904 /nfs/dbraw/zinc/57/99/04/1201579904.db2.gz NFYXZIJOVTXYQV-GMBSWORKSA-N 2 0 368.522 0.184 20 0 FCADRP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC[NH2+]CC1 ZINC001220001313 1224723522 /nfs/dbraw/zinc/72/35/22/1224723522.db2.gz PDMMEEHRECXOJJ-DNVCBOLYSA-N 2 0 372.469 0.124 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531953 1202710449 /nfs/dbraw/zinc/71/04/49/1202710449.db2.gz OERVCJAADSQTLQ-CGTJXYLNSA-N 2 0 363.506 0.823 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130602539 1202732024 /nfs/dbraw/zinc/73/20/24/1202732024.db2.gz HMYSDSDMGDSOQP-YQQAZPJKSA-N 2 0 369.485 0.366 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712756 1202759487 /nfs/dbraw/zinc/75/94/87/1202759487.db2.gz KKGUPZOVCNECNR-YQQAZPJKSA-N 2 0 361.490 0.435 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712755 1202759646 /nfs/dbraw/zinc/75/96/46/1202759646.db2.gz KKGUPZOVCNECNR-HLLBOEOZSA-N 2 0 361.490 0.435 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2[NH2+]CCCO)c1 ZINC001130734209 1202767990 /nfs/dbraw/zinc/76/79/90/1202767990.db2.gz IITBTCJTBHVJTG-FUHWJXTLSA-N 2 0 363.506 0.563 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130816159 1202806644 /nfs/dbraw/zinc/80/66/44/1202806644.db2.gz MYOJOLOVCHJQBT-SOUVJXGZSA-N 2 0 364.494 0.981 20 0 FCADRP CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817361 1202807783 /nfs/dbraw/zinc/80/77/83/1202807783.db2.gz MVQFHYXZOLMOBU-SOUVJXGZSA-N 2 0 364.494 0.982 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001130989265 1202837583 /nfs/dbraw/zinc/83/75/83/1202837583.db2.gz ZPHVPPCUAAVTRP-BRWVUGGUSA-N 2 0 363.506 0.559 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017818 1202843610 /nfs/dbraw/zinc/84/36/10/1202843610.db2.gz NIOGVQVKZGCYMP-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCO ZINC001131012970 1202844837 /nfs/dbraw/zinc/84/48/37/1202844837.db2.gz VSEWKCKHLKUVGK-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cncn1C ZINC001131022975 1202847195 /nfs/dbraw/zinc/84/71/95/1202847195.db2.gz MGALWLANWDODJW-IAGOWNOFSA-N 2 0 368.441 0.912 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001131061670 1202853734 /nfs/dbraw/zinc/85/37/34/1202853734.db2.gz JLXWEFRFFVNLSR-IAGOWNOFSA-N 2 0 356.474 0.851 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055766 1202854932 /nfs/dbraw/zinc/85/49/32/1202854932.db2.gz LOFDNIALEDBFHK-HZPDHXFCSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC1CCOCC1 ZINC001131067957 1202855709 /nfs/dbraw/zinc/85/57/09/1202855709.db2.gz DCVHYLBIBIMFTL-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068113 1202855747 /nfs/dbraw/zinc/85/57/47/1202855747.db2.gz MTOAOQNMDVHTOO-HUUCEWRRSA-N 2 0 360.462 0.752 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070496 1202856534 /nfs/dbraw/zinc/85/65/34/1202856534.db2.gz YPBSCYWSFNKEKY-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108462 1202864730 /nfs/dbraw/zinc/86/47/30/1202864730.db2.gz SOXQCTITTRPMTC-GVDBMIGSSA-N 2 0 365.522 0.928 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131127732 1202867912 /nfs/dbraw/zinc/86/79/12/1202867912.db2.gz ACUOQZQBZIGWRP-IAGOWNOFSA-N 2 0 363.506 0.827 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131132992 1202869918 /nfs/dbraw/zinc/86/99/18/1202869918.db2.gz WPPMZBUSBPHPGQ-BRWVUGGUSA-N 2 0 363.506 0.681 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001086659139 1202871918 /nfs/dbraw/zinc/87/19/18/1202871918.db2.gz LODHQIABIOXGEB-RRFJBIMHSA-N 2 0 363.510 0.897 20 0 FCADRP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086660097 1202873086 /nfs/dbraw/zinc/87/30/86/1202873086.db2.gz XPUKLJAATDDFTH-XHSDSOJGSA-N 2 0 363.510 0.942 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552165 1202881802 /nfs/dbraw/zinc/88/18/02/1202881802.db2.gz QRCPIHYDRLZVNW-QBPKDAKJSA-N 2 0 367.490 0.439 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131592990 1202917302 /nfs/dbraw/zinc/91/73/02/1202917302.db2.gz GJELHXJBEJJRMV-WDYCEAGBSA-N 2 0 371.522 0.585 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131608822 1202920777 /nfs/dbraw/zinc/92/07/77/1202920777.db2.gz PEYVFAUSSHYOBD-MJGOQNOKSA-N 2 0 371.522 0.321 20 0 FCADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126256 1203015400 /nfs/dbraw/zinc/01/54/00/1203015400.db2.gz HWKJFXNXAMFTOV-SQNIBIBYSA-N 2 0 358.486 0.658 20 0 FCADRP O=C(c1cncc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001170784479 1203036966 /nfs/dbraw/zinc/03/69/66/1203036966.db2.gz ULWYFXXOOINTMT-VQIMIIECSA-N 2 0 373.501 0.774 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCn4ccnc4C3)C2)nn1 ZINC001086737835 1203064367 /nfs/dbraw/zinc/06/43/67/1203064367.db2.gz YUPLJDAFRMXWEW-SOUVJXGZSA-N 2 0 357.462 0.649 20 0 FCADRP CC[C@@]([NH3+])(CO)Nc1nccc(C[N@@H+]2CC[C@@H](CO)C2)c1C(OC)OC ZINC001170857162 1203098517 /nfs/dbraw/zinc/09/85/17/1203098517.db2.gz DHJKFNGEMGYNQC-ACJLOTCBSA-N 2 0 368.478 0.656 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817926919 1203124764 /nfs/dbraw/zinc/12/47/64/1203124764.db2.gz WRIMCHUZTMGIGC-SFHVURJKSA-N 2 0 360.502 0.830 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000817926529 1203126573 /nfs/dbraw/zinc/12/65/73/1203126573.db2.gz MGUZMRUSLPURDH-OALUTQOASA-N 2 0 372.513 0.830 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000817975275 1203129790 /nfs/dbraw/zinc/12/97/90/1203129790.db2.gz SMWRUVNWHPYPQA-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000817989163 1203131488 /nfs/dbraw/zinc/13/14/88/1203131488.db2.gz KIJJCSCJEUQMCO-JCYILVPMSA-N 2 0 368.522 0.674 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1c(C)cc(C)nc1=O ZINC001136541939 1203223642 /nfs/dbraw/zinc/22/36/42/1203223642.db2.gz SEBWDICKVFXDJQ-KRWDZBQOSA-N 2 0 363.506 0.735 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)c1 ZINC001220120584 1224776743 /nfs/dbraw/zinc/77/67/43/1224776743.db2.gz IIZUXYHNUBAGPW-SCLBCKFNSA-N 2 0 359.430 0.350 20 0 FCADRP Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107642 1203280655 /nfs/dbraw/zinc/28/06/55/1203280655.db2.gz QGOCOEQTBHPBSZ-RUENVJTFSA-N 2 0 373.501 0.975 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090866944 1203319842 /nfs/dbraw/zinc/31/98/42/1203319842.db2.gz SQRUOVJLMVKDPU-GVDBMIGSSA-N 2 0 360.458 0.159 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143682248 1203325004 /nfs/dbraw/zinc/32/50/04/1203325004.db2.gz VGLPCAPDDMKGPT-IRXDYDNUSA-N 2 0 361.490 0.686 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000844004106 1203329117 /nfs/dbraw/zinc/32/91/17/1203329117.db2.gz XVBVHHSYNPINRM-GNJLHFKMSA-N 2 0 359.470 0.918 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CCO)cc1 ZINC001090884389 1203330842 /nfs/dbraw/zinc/33/08/42/1203330842.db2.gz OOZWHCLDAPRUCR-ZWKOTPCHSA-N 2 0 359.470 0.667 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163776 1224792720 /nfs/dbraw/zinc/79/27/20/1224792720.db2.gz VETJJJVYQUCYJX-ABSDTBQOSA-N 2 0 358.486 0.711 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC[N@H+](Cc2ccccc2)C1 ZINC001220228254 1224809636 /nfs/dbraw/zinc/80/96/36/1224809636.db2.gz GFEAMKDWLIHPAL-YKCBXCCJSA-N 2 0 372.469 0.142 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCOc2ccccc2)C[C@@H]1O ZINC001220273443 1224818712 /nfs/dbraw/zinc/81/87/12/1224818712.db2.gz LDUWZFHRSBFBFO-MSOLQXFVSA-N 2 0 365.474 0.195 20 0 FCADRP COc1ccc(COCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220276841 1224819159 /nfs/dbraw/zinc/81/91/59/1224819159.db2.gz LNYGLTNNGGLFEF-MSOLQXFVSA-N 2 0 365.474 0.325 20 0 FCADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220320206 1224827191 /nfs/dbraw/zinc/82/71/91/1224827191.db2.gz LWSLEMNLNXEIOJ-UYAOXDASSA-N 2 0 358.486 0.733 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220321458 1224828063 /nfs/dbraw/zinc/82/80/63/1224828063.db2.gz UHSQOPXOTUWTTL-ZCLUNYJNSA-N 2 0 370.497 0.740 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CN(C)C(N)=[NH2+])cc2)CC1 ZINC001144141555 1204425085 /nfs/dbraw/zinc/42/50/85/1204425085.db2.gz FKABNZFKBVHLMG-IYXRBSQSSA-N 2 0 360.462 0.534 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000845684171 1204545131 /nfs/dbraw/zinc/54/51/31/1204545131.db2.gz YYVKODNKPGZNCG-CQSZACIVSA-N 2 0 372.510 0.404 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351663 1224839073 /nfs/dbraw/zinc/83/90/73/1224839073.db2.gz DFXUEHQWSLMNMG-ZACQAIPSSA-N 2 0 364.494 0.094 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000846246984 1204610419 /nfs/dbraw/zinc/61/04/19/1204610419.db2.gz NHBWMPLUQIIVMF-OAHLLOKOSA-N 2 0 372.510 0.404 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354215 1224840077 /nfs/dbraw/zinc/84/00/77/1224840077.db2.gz OXLAGCJZXCPTHJ-BZUAXINKSA-N 2 0 363.458 0.660 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353882 1224840225 /nfs/dbraw/zinc/84/02/25/1224840225.db2.gz LNRHWEOPPIEEPJ-QZWWFDLISA-N 2 0 361.442 0.285 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220356470 1224841229 /nfs/dbraw/zinc/84/12/29/1224841229.db2.gz AGRCXIVMUUPHPG-LTIDMASMSA-N 2 0 361.442 0.142 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358284 1224841953 /nfs/dbraw/zinc/84/19/53/1224841953.db2.gz QMJTUYFBIOFSLZ-IAGOWNOFSA-N 3 0 362.474 0.500 20 0 FCADRP C[NH2+][C@H](C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H](C)O ZINC001220358776 1224841991 /nfs/dbraw/zinc/84/19/91/1224841991.db2.gz XOOCECXFVPLRDD-IWCQGFGOSA-N 2 0 363.458 0.531 20 0 FCADRP N[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CCC[NH2+]C1 ZINC001220358587 1224842743 /nfs/dbraw/zinc/84/27/43/1224842743.db2.gz VEANHVNHNJNZFJ-ABSDTBQOSA-N 2 0 374.485 0.643 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O)CC(C)(C)C ZINC001220367383 1224844904 /nfs/dbraw/zinc/84/49/04/1224844904.db2.gz WBRXYSSGYRUUJO-MSOLQXFVSA-N 2 0 363.502 0.818 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091678782 1204818252 /nfs/dbraw/zinc/81/82/52/1204818252.db2.gz OKRSOVNOZFIUMY-MDZRGWNJSA-N 2 0 363.506 0.874 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387372 1224853324 /nfs/dbraw/zinc/85/33/24/1224853324.db2.gz IXKBJONAESPVKY-JQHSSLGASA-N 2 0 369.506 0.075 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716138 1204831332 /nfs/dbraw/zinc/83/13/32/1204831332.db2.gz KOTWPKNGRLESHK-MDZRGWNJSA-N 2 0 360.506 0.970 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721175 1204833040 /nfs/dbraw/zinc/83/30/40/1204833040.db2.gz USFJWIQWTCIGON-SUMDDJOVSA-N 2 0 360.506 0.970 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001149011194 1204845565 /nfs/dbraw/zinc/84/55/65/1204845565.db2.gz USBPUAGKUQYVOI-UHFFFAOYSA-N 2 0 362.474 0.793 20 0 FCADRP C[C@@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+]1CCCC1 ZINC001273448831 1204848571 /nfs/dbraw/zinc/84/85/71/1204848571.db2.gz CMLITPATLGSQCR-RDJZCZTQSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001086855322 1204850563 /nfs/dbraw/zinc/85/05/63/1204850563.db2.gz SKUQYHTVFOEEEB-UONOGXRCSA-N 2 0 357.462 0.964 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086855415 1204850621 /nfs/dbraw/zinc/85/06/21/1204850621.db2.gz YFYHPZIIVUTLCH-LSDHHAIUSA-N 2 0 359.474 0.868 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)C12CC[NH+](CC1)C2 ZINC001086854141 1204852795 /nfs/dbraw/zinc/85/27/95/1204852795.db2.gz KEFRHAVCPSVMPL-YESZJQIVSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001086983696 1204878879 /nfs/dbraw/zinc/87/88/79/1204878879.db2.gz BUTXYJCFHKKGDK-DLBZAZTESA-N 2 0 363.506 0.682 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cnn(C)c1 ZINC001086986543 1204880933 /nfs/dbraw/zinc/88/09/33/1204880933.db2.gz VACSSTVXOOMUDC-JEBQAFNWSA-N 2 0 368.441 0.646 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cnn(C)c1 ZINC001086987942 1204881496 /nfs/dbraw/zinc/88/14/96/1204881496.db2.gz VWCZHXBKFNIWPT-JEBQAFNWSA-N 2 0 368.441 0.646 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086982096 1204886558 /nfs/dbraw/zinc/88/65/58/1204886558.db2.gz SYSGTAAZPXUUTM-BPQIPLTHSA-N 2 0 363.506 0.274 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2[NH2+]CCF)cn1 ZINC001087003654 1204891729 /nfs/dbraw/zinc/89/17/29/1204891729.db2.gz IOVSHONTZKONQD-DLBZAZTESA-N 2 0 367.469 0.384 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087009634 1204897244 /nfs/dbraw/zinc/89/72/44/1204897244.db2.gz QJBIBFHUKBUXET-RYQLBKOJSA-N 2 0 371.489 0.153 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001087011061 1204898269 /nfs/dbraw/zinc/89/82/69/1204898269.db2.gz CHESFTYWQOLUDI-RCCFBDPRSA-N 2 0 363.506 0.417 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087034970 1204910187 /nfs/dbraw/zinc/91/01/87/1204910187.db2.gz GGCXUPJMEZXDRI-BRWVUGGUSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087034919 1204910358 /nfs/dbraw/zinc/91/03/58/1204910358.db2.gz DBCRPSHRSJQVIF-BPQIPLTHSA-N 2 0 363.506 0.950 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087055327 1204935069 /nfs/dbraw/zinc/93/50/69/1204935069.db2.gz HAVQBPHRTZUNJH-QBPKDAKJSA-N 2 0 361.490 0.770 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087061087 1204948053 /nfs/dbraw/zinc/94/80/53/1204948053.db2.gz NIBICNHSKJPIET-OIISXLGYSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087063192 1204950790 /nfs/dbraw/zinc/95/07/90/1204950790.db2.gz MFOHVIDVAIEESN-BZUAXINKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087065348 1204953479 /nfs/dbraw/zinc/95/34/79/1204953479.db2.gz YIOXSSOTCQFCHN-GDBMZVCRSA-N 2 0 363.462 0.651 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083732 1204970990 /nfs/dbraw/zinc/97/09/90/1204970990.db2.gz QLYODIXLMGADRJ-BRWVUGGUSA-N 2 0 361.490 0.914 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083519 1204971525 /nfs/dbraw/zinc/97/15/25/1204971525.db2.gz IQSOXYFUQJNKCC-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083922 1204972111 /nfs/dbraw/zinc/97/21/11/1204972111.db2.gz XWPPYUDEVZSZNS-CGTJXYLNSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083933 1204972821 /nfs/dbraw/zinc/97/28/21/1204972821.db2.gz YLNPCANBRKIOFT-GVDBMIGSSA-N 2 0 361.490 0.772 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087101130 1204998445 /nfs/dbraw/zinc/99/84/45/1204998445.db2.gz VALOZFNYIWOYRC-BFYDXBDKSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087100920 1204998760 /nfs/dbraw/zinc/99/87/60/1204998760.db2.gz LEZFNEVTTVBNJF-BFYDXBDKSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087102511 1205001310 /nfs/dbraw/zinc/00/13/10/1205001310.db2.gz HFZZYCPNBRHSJH-HYVNUMGLSA-N 2 0 365.478 0.897 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091824458 1205045007 /nfs/dbraw/zinc/04/50/07/1205045007.db2.gz ZDJQTDHYHNGZCN-MUKKUYKPSA-N 2 0 355.442 0.863 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220432136 1224870014 /nfs/dbraw/zinc/87/00/14/1224870014.db2.gz YSHLNUUBXJPKJI-QFBILLFUSA-N 2 0 372.469 0.874 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092071545 1205134789 /nfs/dbraw/zinc/13/47/89/1205134789.db2.gz AEUQRGUVFULDBM-MJGOQNOKSA-N 2 0 360.506 0.790 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204313 1205197223 /nfs/dbraw/zinc/19/72/23/1205197223.db2.gz YKBSOLLQGSJKKA-KSMMKXTCSA-N 2 0 359.474 0.676 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204054 1205197573 /nfs/dbraw/zinc/19/75/73/1205197573.db2.gz PFSVWVMDHYSZFI-KUHUBIRLSA-N 2 0 359.474 0.630 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001092302858 1205235503 /nfs/dbraw/zinc/23/55/03/1205235503.db2.gz APCLLQQRTWYWQT-KPFFTGBYSA-N 2 0 364.534 0.975 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3C[NH2+]C[C@H]3O)nc3ccc(C)cc3n12 ZINC001220456221 1224878193 /nfs/dbraw/zinc/87/81/93/1224878193.db2.gz HKNPDIIUQZYDSH-XJKSGUPXSA-N 2 0 368.441 0.371 20 0 FCADRP Cn1cc(-c2cc(CNC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccn2)cn1 ZINC001220454453 1224878294 /nfs/dbraw/zinc/87/82/94/1224878294.db2.gz VYGQJCKVUOPUAF-INIZCTEOSA-N 2 0 354.458 0.973 20 0 FCADRP CCn1c(C)nnc1CN1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092523036 1205302506 /nfs/dbraw/zinc/30/25/06/1205302506.db2.gz YMWMWAUNVFRABE-FVQBIDKESA-N 2 0 364.494 0.121 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774485 1205354014 /nfs/dbraw/zinc/35/40/14/1205354014.db2.gz PBSNRLGNFNPFON-RBSFLKMASA-N 2 0 362.474 0.104 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[NH2+]C[C@@H]3O)cc2)CC1 ZINC001220515764 1224899259 /nfs/dbraw/zinc/89/92/59/1224899259.db2.gz JVNQQCVHLQWQMM-XZJFIMKMSA-N 2 0 360.458 0.290 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220519510 1224901683 /nfs/dbraw/zinc/90/16/83/1224901683.db2.gz QOOJXFSQJUDUEU-UHFFFAOYSA-N 2 0 359.470 0.813 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001220521270 1224904097 /nfs/dbraw/zinc/90/40/97/1224904097.db2.gz AZDBSGGQECFVQK-AWEZNQCLSA-N 3 0 364.490 0.377 20 0 FCADRP N[C@]1(C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)CC[NH2+]C1 ZINC001220528130 1224908492 /nfs/dbraw/zinc/90/84/92/1224908492.db2.gz ZZCNDIPBFPIKEQ-HXUWFJFHSA-N 2 0 355.486 0.982 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccnc2N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001220523893 1224904845 /nfs/dbraw/zinc/90/48/45/1224904845.db2.gz UNERMTVJLSGWNM-UHFFFAOYSA-N 2 0 359.430 0.032 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910384 1205941119 /nfs/dbraw/zinc/94/11/19/1205941119.db2.gz BRYXQXGPFKOWJK-BFYDXBDKSA-N 2 0 364.494 0.108 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093121221 1206027526 /nfs/dbraw/zinc/02/75/26/1206027526.db2.gz ZPZWOWHGHVJNPX-RVKKMQEKSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224900 1206063038 /nfs/dbraw/zinc/06/30/38/1206063038.db2.gz GAIFLPPVCPXJQX-QGPMSJSTSA-N 2 0 358.486 0.934 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465513 1206084743 /nfs/dbraw/zinc/08/47/43/1206084743.db2.gz KBRDIMVBKJQLEJ-HBXLWWENSA-N 2 0 367.534 0.677 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093469248 1206085666 /nfs/dbraw/zinc/08/56/66/1206085666.db2.gz FLDRRKWYXXAZIC-LFGUQSLTSA-N 2 0 367.534 0.677 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001093674600 1206099879 /nfs/dbraw/zinc/09/98/79/1206099879.db2.gz KXSBKNGKSBKZCR-BZUAXINKSA-N 2 0 363.510 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093826048 1206124315 /nfs/dbraw/zinc/12/43/15/1206124315.db2.gz ZMZKMAYJENFMMK-INMHGKMJSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093824021 1206124352 /nfs/dbraw/zinc/12/43/52/1206124352.db2.gz CSZXGJDRDZQXHP-UNEWFSDZSA-N 2 0 366.485 0.772 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)C1=O ZINC001093890537 1206145678 /nfs/dbraw/zinc/14/56/78/1206145678.db2.gz PTEKOMSPHXGERZ-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093857238 1206146103 /nfs/dbraw/zinc/14/61/03/1206146103.db2.gz WYIIFSRACDGUQA-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093919782 1206149886 /nfs/dbraw/zinc/14/98/86/1206149886.db2.gz MDDKJZWUNOGCBW-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001094013667 1206169663 /nfs/dbraw/zinc/16/96/63/1206169663.db2.gz GPONDJQMLYCODZ-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1)[NH+](C)C ZINC001094020883 1206171558 /nfs/dbraw/zinc/17/15/58/1206171558.db2.gz JWLOLQORLBCOCP-IIAWOOMASA-N 2 0 366.510 0.906 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041912 1206174397 /nfs/dbraw/zinc/17/43/97/1206174397.db2.gz IDHSYIQWFQWJPO-ARFHVFGLSA-N 2 0 366.485 0.774 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)c1nnnn1C ZINC001094088584 1206182006 /nfs/dbraw/zinc/18/20/06/1206182006.db2.gz BGYLFVFCRZHGAN-IJEWVQPXSA-N 2 0 363.510 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094114193 1206186517 /nfs/dbraw/zinc/18/65/17/1206186517.db2.gz YWCVJONZJFVKEY-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094165027 1206197606 /nfs/dbraw/zinc/19/76/06/1206197606.db2.gz INFMVISJOSBCJH-QLFBSQMISA-N 2 0 364.494 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094170152 1206198188 /nfs/dbraw/zinc/19/81/88/1206198188.db2.gz OFMCOJXWLJIHFP-ZIAGYGMSSA-N 2 0 357.462 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094219407 1206203408 /nfs/dbraw/zinc/20/34/08/1206203408.db2.gz JUILBQDULWWRGW-OWCLPIDISA-N 2 0 360.506 0.750 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220565150 1224935563 /nfs/dbraw/zinc/93/55/63/1224935563.db2.gz KFDYJODGFCZIRJ-HZPDHXFCSA-N 2 0 360.458 0.546 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)c1nnnn1C ZINC001094240847 1206209740 /nfs/dbraw/zinc/20/97/40/1206209740.db2.gz DQXJFJJEVTZJBG-BZUAXINKSA-N 2 0 363.510 0.831 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@@H]45)n3)c2)CC1 ZINC001212628572 1206252812 /nfs/dbraw/zinc/25/28/12/1206252812.db2.gz CZTDGNAWKFRASH-HZPDHXFCSA-N 2 0 368.441 0.806 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172014207 1206254505 /nfs/dbraw/zinc/25/45/05/1206254505.db2.gz VKGAHLUPUJUPLX-CQSZACIVSA-N 2 0 365.474 0.736 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CCC2 ZINC001172172519 1206259026 /nfs/dbraw/zinc/25/90/26/1206259026.db2.gz FIKWBLPUYCCPGL-HZPDHXFCSA-N 2 0 359.474 0.664 20 0 FCADRP COC(=O)N1CCC([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1 ZINC001172734489 1206263504 /nfs/dbraw/zinc/26/35/04/1206263504.db2.gz PYPZWPASMGYTSF-UHFFFAOYSA-N 2 0 369.462 0.813 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCN(C)CC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173526783 1206280170 /nfs/dbraw/zinc/28/01/70/1206280170.db2.gz XXEYICBQLGMYOB-KBXCAEBGSA-N 2 0 372.510 0.798 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C[C@@H]1C(=O)OC ZINC001173570698 1206281041 /nfs/dbraw/zinc/28/10/41/1206281041.db2.gz VQZCRSKGXIMVIU-RDSHKEJNSA-N 2 0 368.474 0.960 20 0 FCADRP COc1ccc(Cn2cc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])cn2)cc1 ZINC001175215870 1206301955 /nfs/dbraw/zinc/30/19/55/1206301955.db2.gz FJHWVUVFNGMWNS-UHFFFAOYSA-N 2 0 358.446 0.943 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220582946 1224948350 /nfs/dbraw/zinc/94/83/50/1224948350.db2.gz LYNFLTCKSFGRQD-QRVBRYPASA-N 2 0 363.502 0.483 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)on1 ZINC001178730964 1206363535 /nfs/dbraw/zinc/36/35/35/1206363535.db2.gz HRSWVRFORFTXHO-BARDWOONSA-N 2 0 363.462 0.841 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH+]2CC[C@H]2C1 ZINC001180406386 1206395028 /nfs/dbraw/zinc/39/50/28/1206395028.db2.gz IOGCJMHUFWJJIM-OKZBNKHCSA-N 2 0 357.454 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@@]1(C)C[NH2+]CCO ZINC001181499455 1206410000 /nfs/dbraw/zinc/41/00/00/1206410000.db2.gz JFDWDGBABUMLLL-PHXBYCTMSA-N 2 0 367.534 0.800 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C ZINC001181863601 1206416466 /nfs/dbraw/zinc/41/64/66/1206416466.db2.gz PEMSMDHFBKIDNH-LBPRGKRZSA-N 2 0 369.466 0.976 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3ccccc3)C2)CC[N@@H+]1C ZINC001182676302 1206441051 /nfs/dbraw/zinc/44/10/51/1206441051.db2.gz FXLRMRLBMYGVHA-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]([C@@H](C)O)N(C)C(=O)OC(C)(C)C ZINC001182962173 1206446177 /nfs/dbraw/zinc/44/61/77/1206446177.db2.gz UHMUJAGQDYTPLU-OLZOCXBDSA-N 2 0 373.498 0.667 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3cc(CNCCO)nn3)C2)CC[N@@H+]1C ZINC001185954351 1206488991 /nfs/dbraw/zinc/48/89/91/1206488991.db2.gz LSPIZUKIHKDNOO-YESZJQIVSA-N 2 0 364.494 0.254 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc(CNCCO)nn3)C2)CC[N@@H+]1C ZINC001185954350 1206489223 /nfs/dbraw/zinc/48/92/23/1206489223.db2.gz LSPIZUKIHKDNOO-IXDOHACOSA-N 2 0 364.494 0.254 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512797 1206490618 /nfs/dbraw/zinc/49/06/18/1206490618.db2.gz YDYRISAMLIHXAR-DLBZAZTESA-N 2 0 360.502 0.483 20 0 FCADRP COC(=O)[C@H]1CCN(CC(=O)Nc2cccnc2N2CCN(C)CC2)C1 ZINC001186099305 1206492954 /nfs/dbraw/zinc/49/29/54/1206492954.db2.gz PQINMCKZRFKOIJ-AWEZNQCLSA-N 2 0 361.446 0.267 20 0 FCADRP CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001186719003 1206504231 /nfs/dbraw/zinc/50/42/31/1206504231.db2.gz BSVHGHLNXWAGFP-HUUCEWRRSA-N 2 0 372.510 0.175 20 0 FCADRP CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001187406458 1206523551 /nfs/dbraw/zinc/52/35/51/1206523551.db2.gz PGFLPZLHACUGLA-OLZOCXBDSA-N 2 0 371.482 0.862 20 0 FCADRP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638273 1224980839 /nfs/dbraw/zinc/98/08/39/1224980839.db2.gz YRAUFPLWXQXGBS-MSOLQXFVSA-N 2 0 371.522 0.321 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273546638 1207387204 /nfs/dbraw/zinc/38/72/04/1207387204.db2.gz BWYAWFFIPHTUTH-IBGZPJMESA-N 2 0 366.506 0.648 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)NCc2ccccc2N2CC[NH2+]CC2)C1=O ZINC001220652277 1224992487 /nfs/dbraw/zinc/99/24/87/1224992487.db2.gz XTGHHNGTNUBEMI-INIZCTEOSA-N 2 0 359.474 0.052 20 0 FCADRP Cc1c[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001187797507 1207392866 /nfs/dbraw/zinc/39/28/66/1207392866.db2.gz PRWIRYUUZPWQFG-UHFFFAOYSA-N 2 0 361.490 0.634 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245778 1207433589 /nfs/dbraw/zinc/43/35/89/1207433589.db2.gz AUGAWAUWHWCQEQ-RCCFBDPRSA-N 2 0 362.518 0.920 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)[C@@H]2C1 ZINC001188205287 1207434060 /nfs/dbraw/zinc/43/40/60/1207434060.db2.gz JMQFLLMQDYYKPJ-HRCADAONSA-N 2 0 359.474 0.772 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212110 1207434726 /nfs/dbraw/zinc/43/47/26/1207434726.db2.gz DLKXHEPYNGPUQF-FUHWJXTLSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCC(c2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2)CC1 ZINC001188330873 1207444645 /nfs/dbraw/zinc/44/46/45/1207444645.db2.gz KYXSYEMEFKOQOT-UHFFFAOYSA-N 2 0 364.450 0.774 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001188962799 1207493362 /nfs/dbraw/zinc/49/33/62/1207493362.db2.gz GBSVEHSVBWDDDW-DOTOQJQBSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118400 1207502922 /nfs/dbraw/zinc/50/29/22/1207502922.db2.gz WCOXXUQHWTYGTC-RYQLBKOJSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189151707 1207513261 /nfs/dbraw/zinc/51/32/61/1207513261.db2.gz NYBUSBNFOVGKOQ-GBESFXJTSA-N 2 0 370.497 0.582 20 0 FCADRP C[C@@H](COCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001189182458 1207515043 /nfs/dbraw/zinc/51/50/43/1207515043.db2.gz VESLTFPLEFRIKE-OKZBNKHCSA-N 2 0 369.506 0.029 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1O)C1CCC1 ZINC001193791673 1207889087 /nfs/dbraw/zinc/88/90/87/1207889087.db2.gz OJWOZXQUKBOFDX-RTBURBONSA-N 2 0 359.470 0.862 20 0 FCADRP CC[N@H+](C)CC(=O)N1Cc2[nH]nc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001273665736 1207893351 /nfs/dbraw/zinc/89/33/51/1207893351.db2.gz CZZSVKDWBCJJQF-UHFFFAOYSA-N 2 0 362.478 0.370 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001193954909 1207901120 /nfs/dbraw/zinc/90/11/20/1207901120.db2.gz LMYYZVJHAKZOHW-UHFFFAOYSA-N 3 0 361.494 0.511 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)N(c3ncccn3)C3C[NH2+]C3)c2)CC1 ZINC001193943550 1207904133 /nfs/dbraw/zinc/90/41/33/1207904133.db2.gz CFCONCSJEKJQEA-UHFFFAOYSA-N 2 0 353.430 0.242 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O)[NH+](C)C ZINC001194095766 1207918361 /nfs/dbraw/zinc/91/83/61/1207918361.db2.gz OYLOGZWIGFZYCL-BZUAXINKSA-N 2 0 363.458 0.459 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001220716547 1225032867 /nfs/dbraw/zinc/03/28/67/1225032867.db2.gz KNXYSSPBTDVNCY-FJIDUMEYSA-N 2 0 358.486 0.804 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CC1 ZINC001194728472 1207974156 /nfs/dbraw/zinc/97/41/56/1207974156.db2.gz ABTUSDWFHGHKIZ-KURKYZTESA-N 2 0 358.442 0.924 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001195660899 1208033753 /nfs/dbraw/zinc/03/37/53/1208033753.db2.gz BDSRYOPJRSCSNJ-RCCFBDPRSA-N 2 0 361.486 0.093 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001195708099 1208036041 /nfs/dbraw/zinc/03/60/41/1208036041.db2.gz FQUXWUZZWORKKQ-QZTJIDSGSA-N 2 0 361.486 0.667 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O ZINC001195860413 1208041821 /nfs/dbraw/zinc/04/18/21/1208041821.db2.gz XOYPIKOGUHCSGF-RTBURBONSA-N 2 0 371.485 0.663 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195871659 1208044957 /nfs/dbraw/zinc/04/49/57/1208044957.db2.gz RUTVCSMUGCLEAG-QZTJIDSGSA-N 2 0 358.442 0.955 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)C1 ZINC001196177054 1208063665 /nfs/dbraw/zinc/06/36/65/1208063665.db2.gz RKZPIDVAHJLLFD-MDZRGWNJSA-N 2 0 371.497 0.787 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(N2CCOCC2=O)cc1 ZINC001196288665 1208073244 /nfs/dbraw/zinc/07/32/44/1208073244.db2.gz BVMPQMPFIFLDAR-UHFFFAOYSA-N 2 0 361.446 0.727 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804432 1208107520 /nfs/dbraw/zinc/10/75/20/1208107520.db2.gz YAGLTICDHRCZLD-IAGOWNOFSA-N 2 0 367.494 0.036 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O)C(C)C ZINC001197025450 1208133281 /nfs/dbraw/zinc/13/32/81/1208133281.db2.gz PCYWMAJTXQWASJ-INMHGKMJSA-N 2 0 370.538 0.429 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CC1 ZINC001197320361 1208153173 /nfs/dbraw/zinc/15/31/73/1208153173.db2.gz YDQLIGCLHCOSJP-KZNAEPCWSA-N 2 0 369.506 0.074 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197723421 1208190077 /nfs/dbraw/zinc/19/00/77/1208190077.db2.gz HOOMNMLXQGCWOP-GVDBMIGSSA-N 2 0 370.538 0.527 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001197723339 1208190123 /nfs/dbraw/zinc/19/01/23/1208190123.db2.gz GGQOPGPKWOVOLZ-IXDOHACOSA-N 2 0 368.522 0.329 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004048 1208210776 /nfs/dbraw/zinc/21/07/76/1208210776.db2.gz SFBLDKYHJDFMAV-IPMKNSEASA-N 2 0 363.502 0.483 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001198029690 1208215214 /nfs/dbraw/zinc/21/52/14/1208215214.db2.gz VOTWXRQVKZXGRQ-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001198028835 1208215505 /nfs/dbraw/zinc/21/55/05/1208215505.db2.gz JIECMTDQONDIEC-GUDVDZBRSA-N 2 0 363.502 0.483 20 0 FCADRP CN1CCN(c2cnccc2C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001198158271 1208224939 /nfs/dbraw/zinc/22/49/39/1208224939.db2.gz COQUWFMMNSJEOE-WKILWMFISA-N 2 0 373.501 0.944 20 0 FCADRP Cc1ccccc1OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198662385 1208280658 /nfs/dbraw/zinc/28/06/58/1208280658.db2.gz NCPNMRWGCMTUMT-RCCFBDPRSA-N 2 0 361.486 0.877 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001199071557 1208316250 /nfs/dbraw/zinc/31/62/50/1208316250.db2.gz ZBNLNDQBZAUMDP-RTBURBONSA-N 2 0 361.486 0.716 20 0 FCADRP COCCOc1ccnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC001199192540 1208325505 /nfs/dbraw/zinc/32/55/05/1208325505.db2.gz XDHIUDYNRABVFM-UHFFFAOYSA-N 2 0 367.494 0.847 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229460 1208449156 /nfs/dbraw/zinc/44/91/56/1208449156.db2.gz CEMBFSRDFCJNEM-BFYDXBDKSA-N 2 0 368.522 0.543 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220829507 1225094314 /nfs/dbraw/zinc/09/43/14/1225094314.db2.gz VOTWXRQVKZXGRQ-OTWHNJEPSA-N 2 0 363.502 0.747 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)C[NH2+]C1 ZINC001220851468 1225107968 /nfs/dbraw/zinc/10/79/68/1225107968.db2.gz XCHRFSSGSRUWBK-HNNXBMFYSA-N 2 0 363.458 0.755 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001489843401 1209098232 /nfs/dbraw/zinc/09/82/32/1209098232.db2.gz BUXBBQSUVPECHE-LVQVYYBASA-N 2 0 350.507 0.679 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220903522 1225131314 /nfs/dbraw/zinc/13/13/14/1225131314.db2.gz UIKWCPOHYBUCCI-IBGZPJMESA-N 3 0 374.529 0.989 20 0 FCADRP CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001220911639 1225135572 /nfs/dbraw/zinc/13/55/72/1225135572.db2.gz RLLAKOFEBLRTLH-INIZCTEOSA-N 2 0 365.522 0.903 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851856736 1209521653 /nfs/dbraw/zinc/52/16/53/1209521653.db2.gz AIUQZDFMOKLFQI-NRFANRHFSA-N 2 0 374.529 0.850 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000852753905 1209562533 /nfs/dbraw/zinc/56/25/33/1209562533.db2.gz KKSOOBNLDSAKED-QGZVFWFLSA-N 2 0 366.506 0.999 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000852749369 1209562797 /nfs/dbraw/zinc/56/27/97/1209562797.db2.gz LIUIULDLRUREOP-ULQDDVLXSA-N 2 0 366.506 0.997 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748870 1209562847 /nfs/dbraw/zinc/56/28/47/1209562847.db2.gz FKQFPUSDTGANKE-NVXWUHKLSA-N 2 0 366.506 0.997 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853340514 1209590141 /nfs/dbraw/zinc/59/01/41/1209590141.db2.gz ADTASKMGXXJHLX-IBGZPJMESA-N 2 0 359.474 0.635 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854649804 1209637991 /nfs/dbraw/zinc/63/79/91/1209637991.db2.gz HALCURAWCAVSAP-XABIJQAGSA-N 2 0 368.522 0.230 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C[C@@H](O)CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]1 ZINC000856490127 1209713705 /nfs/dbraw/zinc/71/37/05/1209713705.db2.gz WOAUNXHRHMBMCY-BJWYYQGGSA-N 2 0 368.522 0.040 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001110734484 1209764005 /nfs/dbraw/zinc/76/40/05/1209764005.db2.gz QPMGSKCJFBGYDP-VQHPVUNQSA-N 2 0 363.506 0.696 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001110738564 1209770774 /nfs/dbraw/zinc/77/07/74/1209770774.db2.gz IFTOVXCZVIBNKZ-TWMKSMIVSA-N 2 0 371.522 0.462 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC001220970417 1225166248 /nfs/dbraw/zinc/16/62/48/1225166248.db2.gz CEIBPHNOBUAPBE-UHFFFAOYSA-N 2 0 356.470 0.933 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000861730046 1209877830 /nfs/dbraw/zinc/87/78/30/1209877830.db2.gz JZNOOVBGKJNHNN-TZMCWYRMSA-N 2 0 366.462 0.228 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861739108 1209878692 /nfs/dbraw/zinc/87/86/92/1209878692.db2.gz DIJFQTZKNXMCNY-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000861749558 1209879446 /nfs/dbraw/zinc/87/94/46/1209879446.db2.gz CJUHGUZBFLFWCK-DLBZAZTESA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220974615 1225169683 /nfs/dbraw/zinc/16/96/83/1225169683.db2.gz FCSYUAMAGYZJDU-KRWDZBQOSA-N 3 0 360.477 0.663 20 0 FCADRP Cc1ccccc1OCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220978121 1225170975 /nfs/dbraw/zinc/17/09/75/1225170975.db2.gz NCPNMRWGCMTUMT-KSZLIROESA-N 2 0 361.486 0.877 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(F)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000865790890 1209983972 /nfs/dbraw/zinc/98/39/72/1209983972.db2.gz SYCRVTUMBSLPDH-UHFFFAOYSA-N 2 0 370.513 0.925 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218090 1210044801 /nfs/dbraw/zinc/04/48/01/1210044801.db2.gz ZKGKYQOSIXCNFY-ROUUACIJSA-N 2 0 374.489 0.210 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000868258605 1210047951 /nfs/dbraw/zinc/04/79/51/1210047951.db2.gz SDUYCDCNKMWWNN-UHFFFAOYSA-N 2 0 365.453 0.713 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000868304909 1210051192 /nfs/dbraw/zinc/05/11/92/1210051192.db2.gz XOQZGMKPILGKMZ-WKILWMFISA-N 2 0 359.474 0.226 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868305119 1210051257 /nfs/dbraw/zinc/05/12/57/1210051257.db2.gz NTWCTEMLEKZWKD-SHTZXODSSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000868303363 1210051302 /nfs/dbraw/zinc/05/13/02/1210051302.db2.gz XOQZGMKPILGKMZ-IYBDPMFKSA-N 2 0 359.474 0.226 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276818512 1225192761 /nfs/dbraw/zinc/19/27/61/1225192761.db2.gz OEZJFVAFXXSRJR-DNVCBOLYSA-N 2 0 369.506 0.708 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C(=O)OC(C)(C)C ZINC001276818513 1225193091 /nfs/dbraw/zinc/19/30/91/1225193091.db2.gz OEZJFVAFXXSRJR-HNAYVOBHSA-N 2 0 369.506 0.708 20 0 FCADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000873248528 1210239391 /nfs/dbraw/zinc/23/93/91/1210239391.db2.gz FYRFYICAWREOJZ-RCCFBDPRSA-N 2 0 372.469 0.985 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056388 1225202286 /nfs/dbraw/zinc/20/22/86/1225202286.db2.gz QHLQABKKGDTYAW-QAETUUGQSA-N 2 0 368.522 0.624 20 0 FCADRP COc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1 ZINC001221060508 1225204178 /nfs/dbraw/zinc/20/41/78/1225204178.db2.gz CRGQTTWFRIFXNC-KRWDZBQOSA-N 2 0 364.490 0.923 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875235952 1210354986 /nfs/dbraw/zinc/35/49/86/1210354986.db2.gz AFJUWSWBLICHLH-DLBZAZTESA-N 2 0 366.506 0.603 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876781665 1210430002 /nfs/dbraw/zinc/43/00/02/1210430002.db2.gz QFHQHEZFOXYSCS-KRWDZBQOSA-N 2 0 362.522 0.873 20 0 FCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981601 1210435638 /nfs/dbraw/zinc/43/56/38/1210435638.db2.gz WPEXTOYJNVNOTN-SQWLQELKSA-N 2 0 360.506 0.899 20 0 FCADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981907 1210435802 /nfs/dbraw/zinc/43/58/02/1210435802.db2.gz ZNDKTJSUFMPBHM-GRDNDAEWSA-N 2 0 364.469 0.473 20 0 FCADRP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)N1CCC2(CC1)OCCO2 ZINC000878746337 1210465164 /nfs/dbraw/zinc/46/51/64/1210465164.db2.gz ATZXJZGGMNKALO-UHFFFAOYSA-N 2 0 360.458 0.959 20 0 FCADRP CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000880309468 1210525165 /nfs/dbraw/zinc/52/51/65/1210525165.db2.gz FRBDDJCDQUUPOX-HDICACEKSA-N 2 0 371.485 0.530 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000882636182 1210631262 /nfs/dbraw/zinc/63/12/62/1210631262.db2.gz PFNCVBCIOYKJBO-GOSISDBHSA-N 2 0 364.534 0.774 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883347005 1210663160 /nfs/dbraw/zinc/66/31/60/1210663160.db2.gz KHBLYPSLWYBIEZ-IRXDYDNUSA-N 2 0 360.506 0.938 20 0 FCADRP Cn1ncc2cc(C[NH2+][C@H]3CCCN(CCN4CCOCC4)C3)cnc21 ZINC000883371583 1210665008 /nfs/dbraw/zinc/66/50/08/1210665008.db2.gz PUPRZBMEICTCHC-SFHVURJKSA-N 2 0 358.490 0.855 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000883416430 1210665434 /nfs/dbraw/zinc/66/54/34/1210665434.db2.gz UWRIPIRCKDSZDH-OAHLLOKOSA-N 2 0 363.506 0.739 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883423827 1210665814 /nfs/dbraw/zinc/66/58/14/1210665814.db2.gz WIHLYXJTCSYWQS-MRXNPFEDSA-N 2 0 365.522 0.986 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)CN1CCOCC1 ZINC000883441660 1210666924 /nfs/dbraw/zinc/66/69/24/1210666924.db2.gz UXWZSCJRBWEUGL-SJLPKXTDSA-N 2 0 368.522 0.897 20 0 FCADRP Cn1ccc(-c2nc(CN3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)n1 ZINC000883439520 1210667114 /nfs/dbraw/zinc/66/71/14/1210667114.db2.gz TZUDRHFEGOWIRG-YUELXQCFSA-N 2 0 374.470 0.911 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000883458000 1210668991 /nfs/dbraw/zinc/66/89/91/1210668991.db2.gz UJERAEPGJXGZIG-HZPDHXFCSA-N 2 0 365.522 0.985 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883606129 1210673897 /nfs/dbraw/zinc/67/38/97/1210673897.db2.gz JNHCXRVKRVICGK-YOEHRIQHSA-N 2 0 359.474 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883643157 1210678396 /nfs/dbraw/zinc/67/83/96/1210678396.db2.gz FNZUTAGPZBKAOL-BFYDXBDKSA-N 2 0 357.458 0.329 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884011314 1210709439 /nfs/dbraw/zinc/70/94/39/1210709439.db2.gz ZLPYFASWAAUIEK-MRXNPFEDSA-N 2 0 355.442 0.930 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000884508179 1210741387 /nfs/dbraw/zinc/74/13/87/1210741387.db2.gz XAOLLKNEVLLUNR-HNNXBMFYSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000884510325 1210741696 /nfs/dbraw/zinc/74/16/96/1210741696.db2.gz DEUNWRQAWVOGOM-RYQLBKOJSA-N 2 0 358.486 0.976 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516405 1210743002 /nfs/dbraw/zinc/74/30/02/1210743002.db2.gz JXWXCMYFBUKFPL-KRWDZBQOSA-N 2 0 368.522 0.724 20 0 FCADRP CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1(C[NH3+])CCCCC1 ZINC000884517204 1210743129 /nfs/dbraw/zinc/74/31/29/1210743129.db2.gz HIYSJJUYLXPCNX-UHFFFAOYSA-N 2 0 367.538 0.249 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000884518768 1210743461 /nfs/dbraw/zinc/74/34/61/1210743461.db2.gz ZFTTVNLMSTYHPP-MSOLQXFVSA-N 2 0 374.485 0.596 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000884517892 1210743651 /nfs/dbraw/zinc/74/36/51/1210743651.db2.gz YOPREESJAAZWBX-MRXNPFEDSA-N 2 0 373.501 0.892 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532510 1210745670 /nfs/dbraw/zinc/74/56/70/1210745670.db2.gz KUZZTMGLSFJRBR-KANFNMMFSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000884554318 1210749488 /nfs/dbraw/zinc/74/94/88/1210749488.db2.gz QTLYPEWZVAHDPA-IIAWOOMASA-N 2 0 364.490 0.003 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884555461 1210749847 /nfs/dbraw/zinc/74/98/47/1210749847.db2.gz RRHNMNPGSGKUHH-SKDZVZGDSA-N 2 0 356.470 0.416 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000884558255 1210751264 /nfs/dbraw/zinc/75/12/64/1210751264.db2.gz OBJIOCJZDQYSAH-IRXDYDNUSA-N 2 0 374.485 0.596 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884560208 1210751706 /nfs/dbraw/zinc/75/17/06/1210751706.db2.gz QPZPBEQIBBOEAE-CLCXKQKWSA-N 2 0 366.506 0.189 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884576427 1210754135 /nfs/dbraw/zinc/75/41/35/1210754135.db2.gz HIIAFXOLAFHVBK-WMZOPIPTSA-N 2 0 360.502 0.911 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000884577100 1210755195 /nfs/dbraw/zinc/75/51/95/1210755195.db2.gz XVUDNOBDQGIBKT-BRWVUGGUSA-N 2 0 362.449 0.898 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884576730 1210755564 /nfs/dbraw/zinc/75/55/64/1210755564.db2.gz OZEHFSXHYDJACI-OAHLLOKOSA-N 2 0 358.486 0.797 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000884578152 1210755955 /nfs/dbraw/zinc/75/59/55/1210755955.db2.gz UTMDZBWUVWUPPV-NXHRZFHOSA-N 2 0 373.501 0.039 20 0 FCADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884577513 1210755995 /nfs/dbraw/zinc/75/59/95/1210755995.db2.gz HAYBTAPVJNUSDS-FGTMMUONSA-N 2 0 356.470 0.903 20 0 FCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884592450 1210758268 /nfs/dbraw/zinc/75/82/68/1210758268.db2.gz OCOXBGVLUHSGHL-WNHJNPCNSA-N 2 0 370.497 0.976 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884597786 1210758395 /nfs/dbraw/zinc/75/83/95/1210758395.db2.gz JVPOXZOXANNFFW-HNNXBMFYSA-N 2 0 374.476 0.976 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884603551 1210760747 /nfs/dbraw/zinc/76/07/47/1210760747.db2.gz LUNZGDKCVIPWTC-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884604210 1210761353 /nfs/dbraw/zinc/76/13/53/1210761353.db2.gz BSUKUGCHQMPFQV-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000884623940 1210764976 /nfs/dbraw/zinc/76/49/76/1210764976.db2.gz SLRGSOHNYDVEFL-MAUKXSAKSA-N 2 0 358.486 0.829 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000884629953 1210767239 /nfs/dbraw/zinc/76/72/39/1210767239.db2.gz NQNNQKDTEIPZRZ-HOCLYGCPSA-N 2 0 362.474 0.581 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884646439 1210772722 /nfs/dbraw/zinc/77/27/22/1210772722.db2.gz SLOVIDYFRDZALE-CYGHRXIMSA-N 2 0 358.486 0.819 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884656324 1210773316 /nfs/dbraw/zinc/77/33/16/1210773316.db2.gz BZCRKVXNUQMEID-JKSUJKDBSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000884669958 1210775946 /nfs/dbraw/zinc/77/59/46/1210775946.db2.gz LKIFZGHFRFYDMC-CVEARBPZSA-N 2 0 366.506 0.109 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884675792 1210777241 /nfs/dbraw/zinc/77/72/41/1210777241.db2.gz PYJGQKSGPMGPIB-ZWKOTPCHSA-N 2 0 358.486 0.693 20 0 FCADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000884677901 1210778289 /nfs/dbraw/zinc/77/82/89/1210778289.db2.gz JADGBPPFKUDMMA-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680847 1210778825 /nfs/dbraw/zinc/77/88/25/1210778825.db2.gz COQKBBVXRJPABI-ROUUACIJSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000884683793 1210780502 /nfs/dbraw/zinc/78/05/02/1210780502.db2.gz NWWQGCIZKRYGJX-HRCADAONSA-N 2 0 359.474 0.623 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884688015 1210781088 /nfs/dbraw/zinc/78/10/88/1210781088.db2.gz QBHHTKQMZZCIRL-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884692378 1210782024 /nfs/dbraw/zinc/78/20/24/1210782024.db2.gz VEAIUTYOFXODOP-RYQLBKOJSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706603 1210784294 /nfs/dbraw/zinc/78/42/94/1210784294.db2.gz IIFDZNWEJXRXJV-HZPDHXFCSA-N 2 0 368.522 0.940 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000884710099 1210785989 /nfs/dbraw/zinc/78/59/89/1210785989.db2.gz YVERHYNDURLDHT-PBHICJAKSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000884716755 1210786760 /nfs/dbraw/zinc/78/67/60/1210786760.db2.gz ICFRUBFVSPXOEW-NBMJBFSESA-N 2 0 372.513 0.985 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716277 1210787128 /nfs/dbraw/zinc/78/71/28/1210787128.db2.gz SYGGWVJHUBFJJS-ZWKOTPCHSA-N 2 0 358.486 0.944 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000884718189 1210787461 /nfs/dbraw/zinc/78/74/61/1210787461.db2.gz WVSRWQBOWMWAPY-JQHSSLGASA-N 2 0 358.486 0.942 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884719306 1210787746 /nfs/dbraw/zinc/78/77/46/1210787746.db2.gz HTVXZWJEOXCLET-NBMJBFSESA-N 2 0 372.513 0.985 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832834 1210799768 /nfs/dbraw/zinc/79/97/68/1210799768.db2.gz AWKYQRYPKNKFKL-JZXOWHBKSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832833 1210799890 /nfs/dbraw/zinc/79/98/90/1210799890.db2.gz AWKYQRYPKNKFKL-JFIYKMOQSA-N 2 0 358.486 0.691 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884833428 1210800321 /nfs/dbraw/zinc/80/03/21/1210800321.db2.gz KOHWHCPLQTUAQW-AEFFLSMTSA-N 2 0 360.502 0.939 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835499 1210800356 /nfs/dbraw/zinc/80/03/56/1210800356.db2.gz STOZATQGVJSHLZ-RDJZCZTQSA-N 2 0 358.486 0.820 20 0 FCADRP CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884885648 1210802891 /nfs/dbraw/zinc/80/28/91/1210802891.db2.gz AVXNQNZCLIHYMC-WMZOPIPTSA-N 2 0 358.486 0.758 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884891825 1210803176 /nfs/dbraw/zinc/80/31/76/1210803176.db2.gz OISZQCPCURFZIH-BPQIPLTHSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884968094 1210805854 /nfs/dbraw/zinc/80/58/54/1210805854.db2.gz OPSVUVUXHRALMA-XHSDSOJGSA-N 2 0 368.522 0.496 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000884982708 1210806486 /nfs/dbraw/zinc/80/64/86/1210806486.db2.gz IRRSODWRYLVQTA-KRWDZBQOSA-N 2 0 362.474 0.119 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000884975535 1210806584 /nfs/dbraw/zinc/80/65/84/1210806584.db2.gz DEQKNDGIGZUZCZ-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000885009772 1210807662 /nfs/dbraw/zinc/80/76/62/1210807662.db2.gz CWGXMAJOTXLSSN-BCDXTJNWSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137885 1210811784 /nfs/dbraw/zinc/81/17/84/1210811784.db2.gz KPLQCHNUPMGYMJ-HUUCEWRRSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000885140939 1210812086 /nfs/dbraw/zinc/81/20/86/1210812086.db2.gz CSVXILUSHAJHMW-OAGGEKHMSA-N 2 0 366.506 0.202 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149073 1210812515 /nfs/dbraw/zinc/81/25/15/1210812515.db2.gz WNTAHNSJWRZTID-JKSUJKDBSA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150411 1210812595 /nfs/dbraw/zinc/81/25/95/1210812595.db2.gz VRFFSLNTLLSEJB-HOTGVXAUSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885148386 1210812705 /nfs/dbraw/zinc/81/27/05/1210812705.db2.gz NIYFAFPZNSUJHD-MRXNPFEDSA-N 2 0 366.506 0.250 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885152755 1210813070 /nfs/dbraw/zinc/81/30/70/1210813070.db2.gz VXVZXUNGSYAGCH-KURKYZTESA-N 2 0 356.470 0.370 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000885156134 1210813667 /nfs/dbraw/zinc/81/36/67/1210813667.db2.gz MPMCMDPOJZDOIQ-ZTFGCOKTSA-N 2 0 358.486 0.758 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885156068 1210813705 /nfs/dbraw/zinc/81/37/05/1210813705.db2.gz KORRKRDZPUHGOT-QRVBRYPASA-N 2 0 370.497 0.902 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000885162287 1210813869 /nfs/dbraw/zinc/81/38/69/1210813869.db2.gz KGPKPMJYEBYFAH-FUHWJXTLSA-N 2 0 356.470 0.512 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885163189 1210814476 /nfs/dbraw/zinc/81/44/76/1210814476.db2.gz XZTISUHTAZBPDB-ZWKOTPCHSA-N 2 0 358.486 0.806 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000885199002 1210815476 /nfs/dbraw/zinc/81/54/76/1210815476.db2.gz KSSJPPFLWFWCBY-UHFFFAOYSA-N 2 0 367.538 0.247 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000885203294 1210815705 /nfs/dbraw/zinc/81/57/05/1210815705.db2.gz PUNXRMDCOJXRAZ-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885275818 1210817062 /nfs/dbraw/zinc/81/70/62/1210817062.db2.gz JKEILVZCJLVIQS-HNNXBMFYSA-N 2 0 374.476 0.926 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000885280420 1210817190 /nfs/dbraw/zinc/81/71/90/1210817190.db2.gz OUJRFNFDIFYVBW-HUUCEWRRSA-N 2 0 372.460 0.538 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000885285276 1210817470 /nfs/dbraw/zinc/81/74/70/1210817470.db2.gz OEMAMRIRMLJSDA-OAHLLOKOSA-N 2 0 372.460 0.682 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869171 1210821222 /nfs/dbraw/zinc/82/12/22/1210821222.db2.gz PRDAWRYODXMRBG-FPOVZHCZSA-N 2 0 373.497 0.993 20 0 FCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000886881233 1210839175 /nfs/dbraw/zinc/83/91/75/1210839175.db2.gz VATNACFZATVUCI-HQMXNFIDSA-N 2 0 371.481 0.852 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001691713804 1210841225 /nfs/dbraw/zinc/84/12/25/1210841225.db2.gz ZSUHHJYZSBMZRW-ZWKOTPCHSA-N 2 0 363.506 0.827 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064842 1210844463 /nfs/dbraw/zinc/84/44/63/1210844463.db2.gz QCQFJMYWDWWVKS-BPQIPLTHSA-N 2 0 358.486 0.773 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000887091752 1210847061 /nfs/dbraw/zinc/84/70/61/1210847061.db2.gz VGWRSLXPKPIBRQ-KXBFYZLASA-N 2 0 357.458 0.331 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887091739 1210847128 /nfs/dbraw/zinc/84/71/28/1210847128.db2.gz UYJXYRUFFIQOBT-JYJNAYRXSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000887091867 1210847476 /nfs/dbraw/zinc/84/74/76/1210847476.db2.gz ZIZDHBZAPYKKJH-MRXNPFEDSA-N 2 0 371.485 0.721 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C2(C)CC[NH+](C)CC2)C3)CC1 ZINC001274083196 1210875406 /nfs/dbraw/zinc/87/54/06/1210875406.db2.gz AGUIJSIJPFVXRF-MRXNPFEDSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001274195159 1210908045 /nfs/dbraw/zinc/90/80/45/1210908045.db2.gz NAGMVYZPYQXZNE-QINHECLXSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCCC3(C[NH+](CCn4ccnc4)C3)C2)CC1 ZINC001274203699 1210911538 /nfs/dbraw/zinc/91/15/38/1210911538.db2.gz OLMVKKIGDLMXAO-UHFFFAOYSA-N 2 0 361.490 0.264 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890134742 1210966916 /nfs/dbraw/zinc/96/69/16/1210966916.db2.gz RDCWAFOIOZZPOK-MSOLQXFVSA-N 2 0 367.538 0.376 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890138266 1210968148 /nfs/dbraw/zinc/96/81/48/1210968148.db2.gz VNBCKTZXAUYXFV-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP Cc1cccc(C2(CNC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CCOCC2)n1 ZINC001221172438 1225252509 /nfs/dbraw/zinc/25/25/09/1225252509.db2.gz LOMMANGFSAWZSC-OXQOHEQNSA-N 2 0 358.486 0.754 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397814 1211044408 /nfs/dbraw/zinc/04/44/08/1211044408.db2.gz TVTVZBZYTBBPSM-FGTMMUONSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001274401230 1211045368 /nfs/dbraw/zinc/04/53/68/1211045368.db2.gz OUQFKWLXHODYJH-IRXDYDNUSA-N 2 0 360.502 0.624 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[NH2+]CCN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184341 1225258866 /nfs/dbraw/zinc/25/88/66/1225258866.db2.gz UHEGMRNRAPJHOF-BZSNNMDCSA-N 2 0 374.485 0.633 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171066 1211188400 /nfs/dbraw/zinc/18/84/00/1211188400.db2.gz CRXOOPGUDKJSQX-QUCCMNQESA-N 2 0 364.534 0.868 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1N ZINC001275356304 1211220039 /nfs/dbraw/zinc/22/00/39/1211220039.db2.gz CEJGZNXJHRYGQX-LJQANCHMSA-N 2 0 362.474 0.642 20 0 FCADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)cn1C ZINC001275556682 1211256555 /nfs/dbraw/zinc/25/65/55/1211256555.db2.gz NXWLFSNJGFOWAI-HZPDHXFCSA-N 2 0 362.474 0.939 20 0 FCADRP COC(CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2)OC ZINC001275557021 1211256945 /nfs/dbraw/zinc/25/69/45/1211256945.db2.gz SOHKABVAMQJDER-IBGZPJMESA-N 2 0 369.506 0.498 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C3)CC1 ZINC001275576965 1211258829 /nfs/dbraw/zinc/25/88/29/1211258829.db2.gz PTROSLBDAANSFD-JKSUJKDBSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)OCC1=O ZINC001275619999 1211263528 /nfs/dbraw/zinc/26/35/28/1211263528.db2.gz NTXKYHRQCDXXJZ-LJQANCHMSA-N 2 0 361.442 0.780 20 0 FCADRP CC1(C)OC[C@@H](CN2C[C@]3(CC[N@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736073 1211278368 /nfs/dbraw/zinc/27/83/68/1211278368.db2.gz AAHLPYBZJUGDIQ-VQIMIIECSA-N 2 0 367.490 0.441 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737820 1211279165 /nfs/dbraw/zinc/27/91/65/1211279165.db2.gz OROBBGAUTBTLTA-KXBFYZLASA-N 2 0 367.490 0.346 20 0 FCADRP COCCOCN1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743687 1211280359 /nfs/dbraw/zinc/28/03/59/1211280359.db2.gz UTFCEYLQNDQNLR-IBGZPJMESA-N 2 0 369.506 0.642 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877708 1211303426 /nfs/dbraw/zinc/30/34/26/1211303426.db2.gz FPEGFBBMFKTDJA-BXWFABGCSA-N 2 0 367.490 0.441 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CCC(=O)N(C)C)CC1 ZINC001275878748 1211306140 /nfs/dbraw/zinc/30/61/40/1211306140.db2.gz LHUABXFAFHLOEA-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](CC1C(=O)N=CNC1=O)CC2 ZINC001275896098 1211308343 /nfs/dbraw/zinc/30/83/43/1211308343.db2.gz SUKFIPWPSUOVOV-UHFFFAOYSA-N 2 0 363.462 0.654 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001275942172 1211313395 /nfs/dbraw/zinc/31/33/95/1211313395.db2.gz YCPKFLOVOHQLRI-SCAQPMJSSA-N 2 0 362.518 0.776 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276131064 1211362488 /nfs/dbraw/zinc/36/24/88/1211362488.db2.gz UPVBIROCNKAGBY-UHFFFAOYSA-N 2 0 363.462 0.572 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC000545882335 1211425875 /nfs/dbraw/zinc/42/58/75/1211425875.db2.gz NLUAWNDRRRUWNZ-FQEVSTJZSA-N 2 0 360.502 0.690 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCC(=O)NC1=O)c1cc2c[nH]ccc-2n1 ZINC001095619763 1211428478 /nfs/dbraw/zinc/42/84/78/1211428478.db2.gz UHOOGYMIGFZLTJ-SHPPOPEUSA-N 2 0 367.409 0.703 20 0 FCADRP C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000924478039 1211471096 /nfs/dbraw/zinc/47/10/96/1211471096.db2.gz JNXUNHCSDLWGFJ-NVXWUHKLSA-N 2 0 359.474 0.679 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000924479128 1211471503 /nfs/dbraw/zinc/47/15/03/1211471503.db2.gz MQNDHHJEZCHCMO-GOSISDBHSA-N 2 0 373.501 0.676 20 0 FCADRP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221311852 1225294354 /nfs/dbraw/zinc/29/43/54/1225294354.db2.gz MSHAKTCQQJLSKN-BFUOFWGJSA-N 2 0 370.409 0.886 20 0 FCADRP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000926127123 1211516812 /nfs/dbraw/zinc/51/68/12/1211516812.db2.gz TUNTXPDJVKUFMF-MSOLQXFVSA-N 2 0 359.470 0.638 20 0 FCADRP COc1ccc2c(c1)OC[C@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221320894 1225297055 /nfs/dbraw/zinc/29/70/55/1225297055.db2.gz HTLRMVNQYYQVQC-SUMWQHHRSA-N 2 0 362.474 0.113 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638499 1211577640 /nfs/dbraw/zinc/57/76/40/1211577640.db2.gz UQGHPVLKAMRPQZ-SOLBZPMBSA-N 2 0 368.522 0.990 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000927648397 1211578126 /nfs/dbraw/zinc/57/81/26/1211578126.db2.gz KCFZSQRKENTOCL-BZSNNMDCSA-N 2 0 366.506 0.480 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)CN(CC(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1 ZINC000928556294 1211604662 /nfs/dbraw/zinc/60/46/62/1211604662.db2.gz PCDWBFUXQBTQNB-ROUUACIJSA-N 2 0 373.501 0.134 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])c1 ZINC001221402892 1225306639 /nfs/dbraw/zinc/30/66/39/1225306639.db2.gz DSTIKNNYDXNWAL-CQDKDKBSSA-N 2 0 364.446 0.122 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)CC2)[NH2+]C1 ZINC001221392873 1225305351 /nfs/dbraw/zinc/30/53/51/1225305351.db2.gz PFUTWEHBWNMHSP-UHFFFAOYSA-N 2 0 374.514 0.735 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC001110979761 1211683797 /nfs/dbraw/zinc/68/37/97/1211683797.db2.gz BZRUKBMZNCSAJF-ATLSCFEFSA-N 2 0 369.506 0.216 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000931655224 1211768663 /nfs/dbraw/zinc/76/86/63/1211768663.db2.gz WVZRAOROOCLZLW-HZPDHXFCSA-N 2 0 358.486 0.915 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111020434 1211784643 /nfs/dbraw/zinc/78/46/43/1211784643.db2.gz BFUFMCZAZAJMKE-DDBAPUKQSA-N 2 0 366.506 0.345 20 0 FCADRP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)n1 ZINC000932811243 1211823185 /nfs/dbraw/zinc/82/31/85/1211823185.db2.gz ICSIOAVDUAHABU-HNNXBMFYSA-N 2 0 356.430 0.978 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(CN3CCNC3=O)CC2)CC1 ZINC000933588964 1211844320 /nfs/dbraw/zinc/84/43/20/1211844320.db2.gz PLIYMHCZFWGNKV-UHFFFAOYSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099989 1211880387 /nfs/dbraw/zinc/88/03/87/1211880387.db2.gz ZCUIGWMFVZKUIB-NGFQHRJXSA-N 2 0 365.478 0.023 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)cc2)[nH]1 ZINC000566067718 1211895370 /nfs/dbraw/zinc/89/53/70/1211895370.db2.gz YCDINRUUXPKAMF-LLVKDONJSA-N 2 0 352.402 0.983 20 0 FCADRP C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000158530384 1211937933 /nfs/dbraw/zinc/93/79/33/1211937933.db2.gz SCULLPDBNFZTOJ-MRXNPFEDSA-N 2 0 371.485 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000948995231 1212272550 /nfs/dbraw/zinc/27/25/50/1212272550.db2.gz VIHVWEXRRKBPLD-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC3(CC[NH+](CC(=O)N(C)C)CC3)C2)CC[N@@H+]1C ZINC000949098974 1212290787 /nfs/dbraw/zinc/29/07/87/1212290787.db2.gz OSCSZWXJVGVEFN-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP Cc1cncn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000949165956 1212311339 /nfs/dbraw/zinc/31/13/39/1212311339.db2.gz YHFWUPHYIFOQDN-NVXWUHKLSA-N 2 0 361.490 0.887 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001007479121 1212501712 /nfs/dbraw/zinc/50/17/12/1212501712.db2.gz GDMIUYOTRNNASP-BXWFABGCSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001007481519 1212503275 /nfs/dbraw/zinc/50/32/75/1212503275.db2.gz MKXMLFMDDHWGSY-HQRMLTQVSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001007853304 1212592147 /nfs/dbraw/zinc/59/21/47/1212592147.db2.gz UNRHIXCOWTWQDM-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000779534944 1212681726 /nfs/dbraw/zinc/68/17/26/1212681726.db2.gz HXGDKILDOCPHTO-UHFFFAOYSA-N 2 0 373.501 0.931 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616977 1225400777 /nfs/dbraw/zinc/40/07/77/1225400777.db2.gz YKCCDZCWUZXHID-IXDOHACOSA-N 2 0 369.506 0.027 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000951735011 1212867780 /nfs/dbraw/zinc/86/77/80/1212867780.db2.gz CURUVKAZAZPZRX-RBSFLKMASA-N 2 0 355.442 0.863 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2cccnc2)C1 ZINC001111405812 1212992209 /nfs/dbraw/zinc/99/22/09/1212992209.db2.gz FOXGVTVXAIKOOO-TVFCKZIOSA-N 2 0 371.485 0.371 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411457 1212995598 /nfs/dbraw/zinc/99/55/98/1212995598.db2.gz PHYZXMDHMOINED-TVFCKZIOSA-N 2 0 369.506 0.339 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411453 1212995893 /nfs/dbraw/zinc/99/58/93/1212995893.db2.gz PHYZXMDHMOINED-MLHJIOFPSA-N 2 0 369.506 0.339 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@@H+]1C ZINC000954412400 1213071599 /nfs/dbraw/zinc/07/15/99/1213071599.db2.gz HJOFADCIXGVWJK-QKLQHJQFSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000956112145 1213173194 /nfs/dbraw/zinc/17/31/94/1213173194.db2.gz OULGUUODYSTPMQ-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799307 1213215779 /nfs/dbraw/zinc/21/57/79/1213215779.db2.gz TXPARWNYYWLVDR-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000957013996 1213231964 /nfs/dbraw/zinc/23/19/64/1213231964.db2.gz OOVRPRVWVLDQFC-FCEWJHQRSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@@H+]1C ZINC000959968535 1213565741 /nfs/dbraw/zinc/56/57/41/1213565741.db2.gz SFHRLZHLOULFTP-DOEOUOAPSA-N 2 0 358.486 0.662 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)CCC1 ZINC000960140010 1213634146 /nfs/dbraw/zinc/63/41/46/1213634146.db2.gz VZOLBEHIGBUWHK-HRCADAONSA-N 2 0 364.490 0.003 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001221772675 1225477618 /nfs/dbraw/zinc/47/76/18/1225477618.db2.gz JIGQLKVVNSZABC-IAGOWNOFSA-N 2 0 360.506 0.769 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CC[N@@H+]1C ZINC001011208093 1213847805 /nfs/dbraw/zinc/84/78/05/1213847805.db2.gz GSSDCJIDQXXAGB-HUUCEWRRSA-N 2 0 359.474 0.772 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[NH+](C)C)c1 ZINC000418837237 1213851010 /nfs/dbraw/zinc/85/10/10/1213851010.db2.gz AAWMKEZIONHPFL-XLIONFOSSA-N 2 0 374.485 0.769 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960731341 1213915608 /nfs/dbraw/zinc/91/56/08/1213915608.db2.gz NWHONZKGZXIDGF-YYIAUSFCSA-N 2 0 366.506 0.105 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc4c(c3)nnn4C)C2)CC[N@@H+]1C ZINC001018865147 1214166469 /nfs/dbraw/zinc/16/64/69/1214166469.db2.gz DQMIODRSLALZIM-VNQPRFMTSA-N 2 0 356.474 0.999 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)CC[N@@H+]1C ZINC001019209912 1214218148 /nfs/dbraw/zinc/21/81/48/1214218148.db2.gz KDRVPWMWCCHLKD-HZPDHXFCSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001019441258 1214243340 /nfs/dbraw/zinc/24/33/40/1214243340.db2.gz HOZWRWUTHFCLRY-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664672 1214260787 /nfs/dbraw/zinc/26/07/87/1214260787.db2.gz FNUJIHSMJMOPQQ-LHKMKVQPSA-N 2 0 362.518 0.584 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC000961849544 1214333969 /nfs/dbraw/zinc/33/39/69/1214333969.db2.gz PCPJTHFRRTZWSY-XSCHDIRWSA-N 2 0 363.510 0.753 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040446574 1214509549 /nfs/dbraw/zinc/50/95/49/1214509549.db2.gz KXRUJBAUTVOKHZ-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221968523 1225557289 /nfs/dbraw/zinc/55/72/89/1225557289.db2.gz RAMQADYHRQTHCQ-FGTMMUONSA-N 2 0 363.506 0.509 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013762 1225575647 /nfs/dbraw/zinc/57/56/47/1225575647.db2.gz KVVSQLFOJAAJPA-FGTMMUONSA-N 2 0 360.506 0.933 20 0 FCADRP c1nn(CC[NH+]2CCCC2)cc1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001222460792 1225625834 /nfs/dbraw/zinc/62/58/34/1225625834.db2.gz JCBSXMGLAPRQSZ-UHFFFAOYSA-N 2 0 369.473 0.876 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001000468578 1216065359 /nfs/dbraw/zinc/06/53/59/1216065359.db2.gz MMPKKHMIQRHICT-YVSFHVDLSA-N 2 0 360.502 0.815 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001001409188 1216191611 /nfs/dbraw/zinc/19/16/11/1216191611.db2.gz UZUAUHCZQTZECE-AEFFLSMTSA-N 2 0 366.506 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001001420526 1216194115 /nfs/dbraw/zinc/19/41/15/1216194115.db2.gz JYHVPMUMOYJSLB-NVXWUHKLSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001050049040 1216273895 /nfs/dbraw/zinc/27/38/95/1216273895.db2.gz FBFQHWDHBMPGNB-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]21 ZINC001222893368 1225663503 /nfs/dbraw/zinc/66/35/03/1225663503.db2.gz YFVGTVAFTDZHDG-FGTMMUONSA-N 2 0 363.506 0.773 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)n(C)n3)C2)CC[N@@H+]1C ZINC001051624745 1216470482 /nfs/dbraw/zinc/47/04/82/1216470482.db2.gz UFOMGOPYZFRWPE-FGTMMUONSA-N 2 0 363.506 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[NH+](C)CC)CC[N@@H+]1C ZINC001057746342 1216537387 /nfs/dbraw/zinc/53/73/87/1216537387.db2.gz SWBNPRKJKFKIDJ-JKSUJKDBSA-N 2 0 370.538 0.384 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068401947 1216731707 /nfs/dbraw/zinc/73/17/07/1216731707.db2.gz VHSMEDJFERYRPX-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP COCCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248367 1225693940 /nfs/dbraw/zinc/69/39/40/1225693940.db2.gz JFRULODJAYWPKU-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069929039 1216849272 /nfs/dbraw/zinc/84/92/72/1216849272.db2.gz QXLOQTPAEPYXIB-KURKYZTESA-N 2 0 358.490 0.762 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069929038 1216849482 /nfs/dbraw/zinc/84/94/82/1216849482.db2.gz QXLOQTPAEPYXIB-KSZLIROESA-N 2 0 358.490 0.762 20 0 FCADRP COC(=O)CC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276881832 1225698453 /nfs/dbraw/zinc/69/84/53/1225698453.db2.gz CWPXSCDPRJYLGB-IBGZPJMESA-N 2 0 366.506 0.111 20 0 FCADRP COC(=O)CC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276881833 1225698714 /nfs/dbraw/zinc/69/87/14/1225698714.db2.gz CWPXSCDPRJYLGB-LJQANCHMSA-N 2 0 366.506 0.111 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046574 1216921405 /nfs/dbraw/zinc/92/14/05/1216921405.db2.gz FCXZVUHHYZPQSM-OIISXLGYSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCOCCNC(C)=O)[C@H]2C1)[NH+](C)C ZINC001223512771 1225711939 /nfs/dbraw/zinc/71/19/39/1225711939.db2.gz OKDLIQSPWLLIDL-SQNIBIBYSA-N 2 0 368.522 0.402 20 0 FCADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223571001 1225717216 /nfs/dbraw/zinc/71/72/16/1225717216.db2.gz WFXNTJOWLOKFSL-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@@H+]1C ZINC001041308193 1217275928 /nfs/dbraw/zinc/27/59/28/1217275928.db2.gz UVENKRMJQYGFPT-YQVWRLOYSA-N 2 0 360.506 0.933 20 0 FCADRP COC(=O)c1ccnc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001276922408 1225737669 /nfs/dbraw/zinc/73/76/69/1225737669.db2.gz BCVPSWZCLHNOCR-IBGZPJMESA-N 2 0 360.458 0.854 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130548 1225759341 /nfs/dbraw/zinc/75/93/41/1225759341.db2.gz PTHRBIFIXGHVGI-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014556 1217915570 /nfs/dbraw/zinc/91/55/70/1217915570.db2.gz GXEPCMPJMOOVCZ-RANZSIQMSA-N 2 0 358.486 0.949 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000900759781 1218033939 /nfs/dbraw/zinc/03/39/39/1218033939.db2.gz BQFJLCJWMKTTIY-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000901119581 1218084265 /nfs/dbraw/zinc/08/42/65/1218084265.db2.gz SYEJTNCMHLRBOR-FUHWJXTLSA-N 2 0 363.506 0.942 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001047385059 1218137517 /nfs/dbraw/zinc/13/75/17/1218137517.db2.gz WGVZYWOIYYUWCK-BDXSIMOUSA-N 2 0 363.506 0.344 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047386173 1218138484 /nfs/dbraw/zinc/13/84/84/1218138484.db2.gz MWSVMFDAOJHFGD-MHORFTMASA-N 2 0 363.506 0.196 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001048528356 1218280697 /nfs/dbraw/zinc/28/06/97/1218280697.db2.gz VQUTWFDTEDVKFD-OOOWVJFSSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2cnon2)O1 ZINC001048538396 1218282614 /nfs/dbraw/zinc/28/26/14/1218282614.db2.gz SYMRSLXKWOMESJ-MAURAIGZSA-N 2 0 363.462 0.648 20 0 FCADRP COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)nn1 ZINC001048829542 1218324178 /nfs/dbraw/zinc/32/41/78/1218324178.db2.gz SJBMBOYUYHMZLH-PNBKFKSVSA-N 2 0 359.474 0.716 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923251 1218342278 /nfs/dbraw/zinc/34/22/78/1218342278.db2.gz LZRKGIAFWFLLGR-NCOADZHNSA-N 2 0 368.522 0.089 20 0 FCADRP O=C1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1CCN1CCOCC1 ZINC000903122548 1218366434 /nfs/dbraw/zinc/36/64/34/1218366434.db2.gz ZVESHSNIPULISC-MHGPCZNRSA-N 2 0 362.518 0.667 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001049485075 1218462392 /nfs/dbraw/zinc/46/23/92/1218462392.db2.gz KUHMTSBFWOSAEP-NCOADZHNSA-N 2 0 363.506 0.417 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903780591 1218524574 /nfs/dbraw/zinc/52/45/74/1218524574.db2.gz JNLLJEJORMJEKI-BFMVXSJESA-N 2 0 365.518 0.887 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)n1 ZINC001097095818 1218687716 /nfs/dbraw/zinc/68/77/16/1218687716.db2.gz VWQWNDKGGIJQEY-NXHRZFHOSA-N 2 0 371.489 0.677 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC2CC2)n1 ZINC001097095123 1218687768 /nfs/dbraw/zinc/68/77/68/1218687768.db2.gz AGLREWHKBPSQSH-OIISXLGYSA-N 2 0 374.489 0.058 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316047 1225839830 /nfs/dbraw/zinc/83/98/30/1225839830.db2.gz LKZQVPBNMKTEPD-RBSFLKMASA-N 2 0 364.494 0.210 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316048 1225840106 /nfs/dbraw/zinc/84/01/06/1225840106.db2.gz LKZQVPBNMKTEPD-RRFJBIMHSA-N 2 0 364.494 0.210 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001097564922 1218819831 /nfs/dbraw/zinc/81/98/31/1218819831.db2.gz YLVBCBCKKRCUMA-WEXBMKDWSA-N 2 0 371.485 0.468 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851614 1218851275 /nfs/dbraw/zinc/85/12/75/1218851275.db2.gz GXEPCMPJMOOVCZ-HPBDAGMYSA-N 2 0 358.486 0.949 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001226765798 1225854200 /nfs/dbraw/zinc/85/42/00/1225854200.db2.gz FQCDALJOSOGKRR-ZIAGYGMSSA-N 2 0 365.478 0.040 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001226801484 1225854614 /nfs/dbraw/zinc/85/46/14/1225854614.db2.gz YMGNOTQFFGESLY-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)O1 ZINC001227029046 1225861246 /nfs/dbraw/zinc/86/12/46/1225861246.db2.gz ZERBPGYHPFIJFD-MWQQHZPXSA-N 2 0 366.506 0.343 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)O1 ZINC001227028607 1225861291 /nfs/dbraw/zinc/86/12/91/1225861291.db2.gz JHNGNDSHEMQKGR-MWQQHZPXSA-N 2 0 366.506 0.249 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055580287 1219086298 /nfs/dbraw/zinc/08/62/98/1219086298.db2.gz BXPWJGMMPPVAOI-KSZLIROESA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cocn3)CC2)CC[N@@H+]1C ZINC001055583284 1219088163 /nfs/dbraw/zinc/08/81/63/1219088163.db2.gz HLIPFYCDEBLSPO-UKRRQHHQSA-N 2 0 363.462 0.325 20 0 FCADRP CO[C@@H](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583401 1219088532 /nfs/dbraw/zinc/08/85/32/1219088532.db2.gz MHZLMUKCGGJYET-ZMSDIMECSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804051645 1219104879 /nfs/dbraw/zinc/10/48/79/1219104879.db2.gz APOIPSXKILVEOZ-HOTGVXAUSA-N 2 0 364.490 0.053 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804062554 1219117539 /nfs/dbraw/zinc/11/75/39/1219117539.db2.gz ICARZSLAICBOHE-IRXDYDNUSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)OCC1=O ZINC001277228381 1225880728 /nfs/dbraw/zinc/88/07/28/1225880728.db2.gz MPHRPYKKEHIHEF-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)C12CCC[NH+](CCC1)C2 ZINC001070216560 1219299431 /nfs/dbraw/zinc/29/94/31/1219299431.db2.gz VXXGKTYANWECDC-SJORKVTESA-N 2 0 358.490 0.906 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327687 1219378244 /nfs/dbraw/zinc/37/82/44/1219378244.db2.gz BNZLRTDSMAZQLT-MSOLQXFVSA-N 2 0 369.473 0.619 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070328317 1219378880 /nfs/dbraw/zinc/37/88/80/1219378880.db2.gz WSCSZOHHHCHBOZ-ZACQAIPSSA-N 2 0 362.478 0.142 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCC1 ZINC001070332446 1219382237 /nfs/dbraw/zinc/38/22/37/1219382237.db2.gz FDQHWFULMDHPSJ-IXDOHACOSA-N 2 0 364.494 0.122 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001070354487 1219391447 /nfs/dbraw/zinc/39/14/47/1219391447.db2.gz LRTYXOPFHXJALT-ZNMIVQPWSA-N 2 0 364.494 0.776 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001070355608 1219393925 /nfs/dbraw/zinc/39/39/25/1219393925.db2.gz KPGXEORHWIIKOB-GJZGRUSLSA-N 2 0 364.494 0.633 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070367342 1219399537 /nfs/dbraw/zinc/39/95/37/1219399537.db2.gz QKHDWXIWAOGVPL-RYRKJORJSA-N 2 0 368.497 0.916 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001070509044 1219446182 /nfs/dbraw/zinc/44/61/82/1219446182.db2.gz VJMNPOKVEQHTNT-YQQAZPJKSA-N 2 0 361.490 0.313 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+]1CCCCCC1 ZINC001070543159 1219461073 /nfs/dbraw/zinc/46/10/73/1219461073.db2.gz NLAWROAITOEVLS-XYJFISCASA-N 2 0 363.506 0.561 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070563389 1219470821 /nfs/dbraw/zinc/47/08/21/1219470821.db2.gz AVDWAJYOYYLNGZ-XYJFISCASA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2[NH2+]CCO)c1 ZINC001070566435 1219472500 /nfs/dbraw/zinc/47/25/00/1219472500.db2.gz OVKBYMBPUBBIEE-PKOBYXMFSA-N 2 0 371.485 0.672 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cncn1C ZINC001070668541 1219516668 /nfs/dbraw/zinc/51/66/68/1219516668.db2.gz ZYTPWFLWSJHNMK-IAOVAPTHSA-N 2 0 368.441 0.646 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070675700 1219519203 /nfs/dbraw/zinc/51/92/03/1219519203.db2.gz QFUCRKSUPGYMCJ-ARFHVFGLSA-N 2 0 363.506 0.559 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001070718969 1219541502 /nfs/dbraw/zinc/54/15/02/1219541502.db2.gz MZUKBNHYMKYPAV-ARFHVFGLSA-N 2 0 367.469 0.242 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)CC1 ZINC001072746528 1219620638 /nfs/dbraw/zinc/62/06/38/1219620638.db2.gz RXXNWNBQVMAACV-MSOLQXFVSA-N 2 0 365.518 0.650 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752499 1219621541 /nfs/dbraw/zinc/62/15/41/1219621541.db2.gz MYRQHFMSWYRMJE-BRWVUGGUSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCCN2CCCC2=O)C3)CC[N@@H+]1C ZINC001072752725 1219621647 /nfs/dbraw/zinc/62/16/47/1219621647.db2.gz YPZYVKAMUCYSQV-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239096 1225904286 /nfs/dbraw/zinc/90/42/86/1225904286.db2.gz OEVWPTOALGNTHM-GVDBMIGSSA-N 2 0 371.522 0.369 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCN3CCCC3=O)CCCO2)CC[N@@H+]1C ZINC001073610969 1219673034 /nfs/dbraw/zinc/67/30/34/1219673034.db2.gz KDRFLIYGMNODNR-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342274 1225912725 /nfs/dbraw/zinc/91/27/25/1225912725.db2.gz WRBAPYKNMPZTGW-BPLDGKMQSA-N 2 0 367.494 0.189 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663058 1219712022 /nfs/dbraw/zinc/71/20/22/1219712022.db2.gz BVOSTSJAIYKHOZ-LUKYLMHMSA-N 2 0 366.506 0.155 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098214657 1219742507 /nfs/dbraw/zinc/74/25/07/1219742507.db2.gz RINAOYZOCLXLRJ-HPBDAGMYSA-N 2 0 358.486 0.949 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001098223244 1219743532 /nfs/dbraw/zinc/74/35/32/1219743532.db2.gz BWRNZYANKVGHBR-VQHPVUNQSA-N 2 0 360.502 0.720 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001228356129 1225914316 /nfs/dbraw/zinc/91/43/16/1225914316.db2.gz ZYDCSEOQZLECNO-BPLDGKMQSA-N 2 0 367.494 0.332 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cncn2)C3)C1 ZINC001099027581 1219892304 /nfs/dbraw/zinc/89/23/04/1219892304.db2.gz NJUTZPZMPOUWLD-LPHOPBHVSA-N 2 0 360.506 0.981 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+]([C@H]2CCCNC2=O)C3)C1 ZINC001099031526 1219893367 /nfs/dbraw/zinc/89/33/67/1219893367.db2.gz XQLADQPNIVTNMF-FTRWYGJKSA-N 2 0 362.518 0.968 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001099159517 1219934766 /nfs/dbraw/zinc/93/47/66/1219934766.db2.gz HAOHLDASKAJANL-UWVAXJGDSA-N 2 0 358.486 0.808 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001228559597 1225932718 /nfs/dbraw/zinc/93/27/18/1225932718.db2.gz UVQOLFSCXLZJTJ-KFWWJZLASA-N 2 0 369.510 0.579 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001099446017 1219998643 /nfs/dbraw/zinc/99/86/43/1219998643.db2.gz GNSQKOJKIZCBOS-WDYCEAGBSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)C1 ZINC001099500635 1220016135 /nfs/dbraw/zinc/01/61/35/1220016135.db2.gz ZMDOOBLRWUWIHE-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001099526662 1220023712 /nfs/dbraw/zinc/02/37/12/1220023712.db2.gz QCJGKBHJDGGXCP-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228660784 1225940357 /nfs/dbraw/zinc/94/03/57/1225940357.db2.gz JGIWVWRVGNTLGE-KFWWJZLASA-N 2 0 369.510 0.579 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001101241457 1220241881 /nfs/dbraw/zinc/24/18/81/1220241881.db2.gz CECZKSPRIVWIRG-APWZRJJASA-N 2 0 363.506 0.875 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257154 1220249788 /nfs/dbraw/zinc/24/97/88/1220249788.db2.gz IWQBHIYWRULUPG-MDZRGWNJSA-N 2 0 370.513 0.973 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257640 1220250879 /nfs/dbraw/zinc/25/08/79/1220250879.db2.gz FDKWXFDPCRSHCG-NUJGCVRESA-N 2 0 366.485 0.738 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267870 1220256853 /nfs/dbraw/zinc/25/68/53/1220256853.db2.gz WORYPJYGWGMQNJ-HLIPFELVSA-N 2 0 364.534 0.881 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101272486 1220259998 /nfs/dbraw/zinc/25/99/98/1220259998.db2.gz OBSRDCULPDSOFB-KPFFTGBYSA-N 2 0 364.534 0.879 20 0 FCADRP CN(CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)c1cc[nH+]cc1 ZINC001101286455 1220268345 /nfs/dbraw/zinc/26/83/45/1220268345.db2.gz YMOPMAQOKVLZPJ-MDYRTPRTSA-N 2 0 371.485 0.577 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101366871 1220303877 /nfs/dbraw/zinc/30/38/77/1220303877.db2.gz RMUHBYDUAFGBCO-XLIONFOSSA-N 2 0 358.486 0.427 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438849 1220345805 /nfs/dbraw/zinc/34/58/05/1220345805.db2.gz XQUKQUCBHGMVRL-LBTNJELSSA-N 2 0 367.494 0.082 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478396 1220367419 /nfs/dbraw/zinc/36/74/19/1220367419.db2.gz MDBQWDYAFRRINH-GJYPPUQNSA-N 2 0 360.506 0.886 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976196 1220449893 /nfs/dbraw/zinc/44/98/93/1220449893.db2.gz OHSQJAMMIUZJQT-OIISXLGYSA-N 2 0 364.534 0.927 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012902 1220461565 /nfs/dbraw/zinc/46/15/65/1220461565.db2.gz ANJBRLYLWSBDFN-BRWVUGGUSA-N 2 0 370.513 0.973 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048735 1220476766 /nfs/dbraw/zinc/47/67/66/1220476766.db2.gz NARQRGNYPYQEKB-OIISXLGYSA-N 2 0 367.538 0.718 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102049808 1220476772 /nfs/dbraw/zinc/47/67/72/1220476772.db2.gz FAGFIQSNNRBXOI-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086244 1220491362 /nfs/dbraw/zinc/49/13/62/1220491362.db2.gz WBIRRUGVEDDDER-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091030 1220492994 /nfs/dbraw/zinc/49/29/94/1220492994.db2.gz OLFSDAAHFCORGB-ZACQAIPSSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190510 1220544198 /nfs/dbraw/zinc/54/41/98/1220544198.db2.gz AULIFILEOAEAFQ-ZIAGYGMSSA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189916 1220544974 /nfs/dbraw/zinc/54/49/74/1220544974.db2.gz IFDRGGBGTVKYAG-KBAYOESNSA-N 2 0 360.506 0.837 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213311 1220555622 /nfs/dbraw/zinc/55/56/22/1220555622.db2.gz APGNXOVEPRCTEV-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320642 1220582963 /nfs/dbraw/zinc/58/29/63/1220582963.db2.gz MTFPKHIVXHTGIF-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320769 1220584099 /nfs/dbraw/zinc/58/40/99/1220584099.db2.gz SHHDCONOSIJBID-OWCLPIDISA-N 2 0 364.490 0.920 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370045 1220596729 /nfs/dbraw/zinc/59/67/29/1220596729.db2.gz PAOQWZBCAJOREL-GVDBMIGSSA-N 2 0 368.522 0.165 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001102378442 1220600674 /nfs/dbraw/zinc/60/06/74/1220600674.db2.gz WIDYLNDWJQEVKR-INMHGKMJSA-N 2 0 364.490 0.920 20 0 FCADRP C[C@H](COCC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102385038 1220603184 /nfs/dbraw/zinc/60/31/84/1220603184.db2.gz OXARIKRMDPRGSK-KZNAEPCWSA-N 2 0 371.522 0.180 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434148 1220623019 /nfs/dbraw/zinc/62/30/19/1220623019.db2.gz QLNDFFOBCBCPTJ-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102497405 1220658104 /nfs/dbraw/zinc/65/81/04/1220658104.db2.gz REECEDPSUFTRPP-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513638 1220672791 /nfs/dbraw/zinc/67/27/91/1220672791.db2.gz UVCJFTMWROGTDJ-KURKYZTESA-N 2 0 371.522 0.444 20 0 FCADRP COc1coc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)cc1=O ZINC001102579246 1220701636 /nfs/dbraw/zinc/70/16/36/1220701636.db2.gz OYBVKDZFVMKKMR-HUUCEWRRSA-N 2 0 363.458 0.928 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C ZINC001102581035 1220705106 /nfs/dbraw/zinc/70/51/06/1220705106.db2.gz WMXXPXOOFQSACF-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102600966 1220722486 /nfs/dbraw/zinc/72/24/86/1220722486.db2.gz FICCYWOYMWAOMR-IXDOHACOSA-N 2 0 368.522 0.258 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782258 1220782563 /nfs/dbraw/zinc/78/25/63/1220782563.db2.gz JHLRFADGDHIYBL-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050257 1220823925 /nfs/dbraw/zinc/82/39/25/1220823925.db2.gz ZQFLOWJGISIPBI-BRWVUGGUSA-N 2 0 370.513 0.973 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103086494 1220830881 /nfs/dbraw/zinc/83/08/81/1220830881.db2.gz FSPOQALFCONSFQ-BJZITVGISA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185751 1220847911 /nfs/dbraw/zinc/84/79/11/1220847911.db2.gz OGYSXXHMDFTCLG-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP COCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249902 1220856339 /nfs/dbraw/zinc/85/63/39/1220856339.db2.gz XBLDOZZNOKJXMF-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396782 1220876932 /nfs/dbraw/zinc/87/69/32/1220876932.db2.gz JIANBMHVWFQGNK-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584504 1220908132 /nfs/dbraw/zinc/90/81/32/1220908132.db2.gz WNTVPQFAZWBJTR-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103614715 1220914293 /nfs/dbraw/zinc/91/42/93/1220914293.db2.gz QYAYHAQDEYYNJK-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642300 1220926114 /nfs/dbraw/zinc/92/61/14/1220926114.db2.gz ZBFZIDVDZWTVEL-IAGOWNOFSA-N 2 0 365.522 0.615 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642998 1220926462 /nfs/dbraw/zinc/92/64/62/1220926462.db2.gz CWGGAWKLHHWAGS-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001103681315 1220937946 /nfs/dbraw/zinc/93/79/46/1220937946.db2.gz ALWKQZTZGLTVJS-LMMKCTJWSA-N 2 0 360.506 0.838 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001103719087 1220951019 /nfs/dbraw/zinc/95/10/19/1220951019.db2.gz QGBLYHABHJIOOT-OLMNPRSZSA-N 2 0 362.522 0.921 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723590 1220952322 /nfs/dbraw/zinc/95/23/22/1220952322.db2.gz SLFWXDAFBAMFLM-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722341 1220952904 /nfs/dbraw/zinc/95/29/04/1220952904.db2.gz JKSXDKTWDGNWQF-IAGOWNOFSA-N 2 0 366.506 0.015 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104202971 1221020790 /nfs/dbraw/zinc/02/07/90/1221020790.db2.gz YKZCBTFMXZLVSP-DJIMGWMZSA-N 2 0 360.506 0.731 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202584 1221020847 /nfs/dbraw/zinc/02/08/47/1221020847.db2.gz HFPQRNLQSSOJLP-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001104212412 1221022308 /nfs/dbraw/zinc/02/23/08/1221022308.db2.gz HUERMBFLLRGDSX-JOCBIADPSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389598 1226008421 /nfs/dbraw/zinc/00/84/21/1226008421.db2.gz QQYWAWKTNFTMNM-IAGOWNOFSA-N 2 0 368.522 0.639 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111766925 1221097047 /nfs/dbraw/zinc/09/70/47/1221097047.db2.gz IRZFIOBVRWMKOM-JZXOWHBKSA-N 2 0 366.485 0.929 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858025 1221138759 /nfs/dbraw/zinc/13/87/59/1221138759.db2.gz KUCJWFWCNKTLBA-LNLFQRSKSA-N 2 0 371.522 0.323 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939905 1221179840 /nfs/dbraw/zinc/17/98/40/1221179840.db2.gz ZLYAZSGSMZYHDV-BXWFABGCSA-N 2 0 368.522 0.450 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009919 1221199789 /nfs/dbraw/zinc/19/97/89/1221199789.db2.gz ZZAUMBCWWLBIKS-LNLFQRSKSA-N 2 0 371.522 0.321 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000782953956 1221200394 /nfs/dbraw/zinc/20/03/94/1221200394.db2.gz PMNKJEFVRQZBMF-APWZRJJASA-N 2 0 359.474 0.618 20 0 FCADRP C[C@H](NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1)C1CC1 ZINC001112021432 1221202791 /nfs/dbraw/zinc/20/27/91/1221202791.db2.gz NHICZOPMQMTGAR-QOKNQOGYSA-N 2 0 359.474 0.769 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001112355482 1221244382 /nfs/dbraw/zinc/24/43/82/1221244382.db2.gz CTVGAHROMFCSIP-QKLQHJQFSA-N 2 0 362.518 0.683 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112425515 1221257231 /nfs/dbraw/zinc/25/72/31/1221257231.db2.gz PCZMJYOIADOMCM-KXBFYZLASA-N 2 0 366.506 0.048 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112431974 1221258295 /nfs/dbraw/zinc/25/82/95/1221258295.db2.gz UILSSLMWDLTIIO-VPWXQRGCSA-N 2 0 362.518 0.968 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001112466070 1221264545 /nfs/dbraw/zinc/26/45/45/1221264545.db2.gz GEWFSAKCGNXDOF-KXBFYZLASA-N 2 0 355.442 0.912 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001229724355 1226030870 /nfs/dbraw/zinc/03/08/70/1226030870.db2.gz NNVSEPVELAMBIU-BRWVUGGUSA-N 2 0 361.490 0.357 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC001116115809 1221337201 /nfs/dbraw/zinc/33/72/01/1221337201.db2.gz FFOFXJOIFMGNSG-UHFFFAOYSA-N 2 0 369.554 0.502 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)n2)CC1 ZINC001116829076 1221393688 /nfs/dbraw/zinc/39/36/88/1221393688.db2.gz IKRDPTDVEUOHGP-AWEZNQCLSA-N 2 0 362.478 0.546 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001116986797 1221419698 /nfs/dbraw/zinc/41/96/98/1221419698.db2.gz VECRKXHHDYRCEM-HNNXBMFYSA-N 2 0 373.501 0.934 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229876841 1226038365 /nfs/dbraw/zinc/03/83/65/1226038365.db2.gz DPLZHQSQGWRVJS-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001117281252 1221503336 /nfs/dbraw/zinc/50/33/36/1221503336.db2.gz NPARBLJGIBEWBN-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138935 1226056752 /nfs/dbraw/zinc/05/67/52/1226056752.db2.gz WEJPHGPSXAEDEX-RBSFLKMASA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC001230149741 1226059056 /nfs/dbraw/zinc/05/90/56/1226059056.db2.gz QTYYATSFNNUMRE-GVDBMIGSSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC001230149641 1226059188 /nfs/dbraw/zinc/05/91/88/1226059188.db2.gz OVBVFNINAKXKMT-RCCFBDPRSA-N 2 0 363.506 0.868 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149686 1226059304 /nfs/dbraw/zinc/05/93/04/1226059304.db2.gz PXQPHQVHERZLJE-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC001117979809 1221675262 /nfs/dbraw/zinc/67/52/62/1221675262.db2.gz ACUDCSYHEZFRAN-KRWDZBQOSA-N 2 0 373.501 0.313 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001117980011 1221675608 /nfs/dbraw/zinc/67/56/08/1221675608.db2.gz BYZKBOOETIZBDQ-UHFFFAOYSA-N 2 0 374.485 0.332 20 0 FCADRP C[C@@H](C1CC1)N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001118064106 1221703251 /nfs/dbraw/zinc/70/32/51/1221703251.db2.gz NKMPLWMZMUNOFM-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001118216961 1221735134 /nfs/dbraw/zinc/73/51/34/1221735134.db2.gz SSBLRCQQXNJELI-QGZVFWFLSA-N 2 0 373.501 0.313 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC001118221405 1221736507 /nfs/dbraw/zinc/73/65/07/1221736507.db2.gz BECPIBMSISZQLR-CQSZACIVSA-N 2 0 361.446 0.044 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001230256833 1226069268 /nfs/dbraw/zinc/06/92/68/1226069268.db2.gz BZELFYGLMXFTFS-OAGGEKHMSA-N 2 0 364.490 0.685 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001118524795 1221794756 /nfs/dbraw/zinc/79/47/56/1221794756.db2.gz IJAHYROJNCPCOH-LJQANCHMSA-N 2 0 359.474 0.554 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1ccnc1)C(=O)NC(N)=O ZINC001230338272 1226074935 /nfs/dbraw/zinc/07/49/35/1226074935.db2.gz DFARQXALCKHBMS-BFHYXJOUSA-N 2 0 364.450 0.264 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)c2)C1 ZINC001119005366 1221854358 /nfs/dbraw/zinc/85/43/58/1221854358.db2.gz KPUWVYKTUSTUMR-VSZNYVQBSA-N 2 0 356.470 0.608 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119300822 1221898494 /nfs/dbraw/zinc/89/84/94/1221898494.db2.gz HVEOBAUQNLDXJL-SFHVURJKSA-N 2 0 374.533 0.968 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCCC1 ZINC001119344350 1221901900 /nfs/dbraw/zinc/90/19/00/1221901900.db2.gz XETBBTCWVMMETM-YQQAZPJKSA-N 2 0 372.469 0.521 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119354375 1221904252 /nfs/dbraw/zinc/90/42/52/1221904252.db2.gz HJCOHHFEXNKJMT-INIZCTEOSA-N 2 0 364.490 0.004 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001119358082 1221904978 /nfs/dbraw/zinc/90/49/78/1221904978.db2.gz VTZABCSZXNLEDX-QAQDUYKDSA-N 2 0 358.486 0.663 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001119362152 1221905975 /nfs/dbraw/zinc/90/59/75/1221905975.db2.gz ILOFBILMSSLPCP-AEFFLSMTSA-N 2 0 360.502 0.987 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410143 1221913783 /nfs/dbraw/zinc/91/37/83/1221913783.db2.gz UVYGVDWPMMXFHN-HOTGVXAUSA-N 2 0 366.506 0.109 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119414614 1221914309 /nfs/dbraw/zinc/91/43/09/1221914309.db2.gz JDVSNSGUBUHOTK-QGZVFWFLSA-N 2 0 356.470 0.560 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119482214 1221923214 /nfs/dbraw/zinc/92/32/14/1221923214.db2.gz FIORMZPBCQBIFC-BZSNNMDCSA-N 2 0 367.538 0.552 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001120395235 1222077228 /nfs/dbraw/zinc/07/72/28/1222077228.db2.gz QXHZBSKKQGSFDW-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC001120581432 1222106676 /nfs/dbraw/zinc/10/66/76/1222106676.db2.gz JLRMMHKHDVZGGM-IBGZPJMESA-N 2 0 371.485 0.859 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001120643229 1222110964 /nfs/dbraw/zinc/11/09/64/1222110964.db2.gz YRUYGQPDGAGGGY-BBWFWOEESA-N 2 0 366.506 0.386 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCNC(=O)C2CC2)C3)CC[N@@H+]1C ZINC001121133999 1222150621 /nfs/dbraw/zinc/15/06/21/1222150621.db2.gz NXCTWXJDMDIHLU-NQTHDAFZSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH2+][C@@H](C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1cnn(C)c1 ZINC001122128925 1222242007 /nfs/dbraw/zinc/24/20/07/1222242007.db2.gz SYXGJQLOYRHAMM-OAHLLOKOSA-N 2 0 362.478 0.013 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123506140 1222336060 /nfs/dbraw/zinc/33/60/60/1222336060.db2.gz VPEMAXGVQVMBHA-CGTJXYLNSA-N 2 0 367.538 0.563 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630387 1222345160 /nfs/dbraw/zinc/34/51/60/1222345160.db2.gz ICGFXDWEGZCXEI-CZUORRHYSA-N 2 0 373.457 0.483 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123632004 1222345257 /nfs/dbraw/zinc/34/52/57/1222345257.db2.gz XBVJODOCLNJBNR-XOYOTBSWSA-N 2 0 367.538 0.298 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636310 1222345614 /nfs/dbraw/zinc/34/56/14/1222345614.db2.gz KLRQYCZSKVEQEU-YLJYHZDGSA-N 2 0 371.529 0.935 20 0 FCADRP CC1CN(C[C@H](O)C[NH+]2CCCC2)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000832317389 1222527238 /nfs/dbraw/zinc/52/72/38/1222527238.db2.gz GPFKVVPGDYAJCJ-WOJBJXKFSA-N 2 0 368.566 0.154 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585590 1222580949 /nfs/dbraw/zinc/58/09/49/1222580949.db2.gz ICPXQZJIKBZARI-TWMKSMIVSA-N 2 0 366.506 0.297 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1cnn(C)n1 ZINC000838616191 1222688659 /nfs/dbraw/zinc/68/86/59/1222688659.db2.gz VQFLKDQOFCLYMW-QGZVFWFLSA-N 2 0 365.526 0.805 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1cnn(C)n1 ZINC000838616186 1222688776 /nfs/dbraw/zinc/68/87/76/1222688776.db2.gz VQFLKDQOFCLYMW-KRWDZBQOSA-N 2 0 365.526 0.805 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)CNC(=O)CO4)cn2)CC1 ZINC001232362527 1226148271 /nfs/dbraw/zinc/14/82/71/1226148271.db2.gz YCLWZHASWVEJGQ-UHFFFAOYSA-N 2 0 359.474 0.314 20 0 FCADRP COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232366294 1226148375 /nfs/dbraw/zinc/14/83/75/1226148375.db2.gz YUTYQIJJVYRXAN-LPHOPBHVSA-N 2 0 360.458 0.455 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000841148960 1222810185 /nfs/dbraw/zinc/81/01/85/1222810185.db2.gz BLSLEUWWCOHWKO-MRXNPFEDSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000841145008 1222810281 /nfs/dbraw/zinc/81/02/81/1222810281.db2.gz HCUIUUWGJXIYEV-UHFFFAOYSA-N 2 0 373.501 0.835 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000841178280 1222812047 /nfs/dbraw/zinc/81/20/47/1222812047.db2.gz FGZHGRDMQGQNLI-QAPCUYQASA-N 2 0 373.501 0.963 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841184125 1222812450 /nfs/dbraw/zinc/81/24/50/1222812450.db2.gz FNGSYHUXHQLGGM-QGZVFWFLSA-N 2 0 361.490 0.867 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)[C@H](C)C[NH2+]1 ZINC000841208011 1222813722 /nfs/dbraw/zinc/81/37/22/1222813722.db2.gz WOQRTMQUNLZTJK-HZPDHXFCSA-N 2 0 373.501 0.976 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000841208082 1222813732 /nfs/dbraw/zinc/81/37/32/1222813732.db2.gz BSWBNCWFMDDBJG-UHFFFAOYSA-N 2 0 359.474 0.765 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841263700 1222817085 /nfs/dbraw/zinc/81/70/85/1222817085.db2.gz QIIKHNYCTHFFNF-PBHICJAKSA-N 2 0 360.458 0.776 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000841295000 1222818072 /nfs/dbraw/zinc/81/80/72/1222818072.db2.gz YOHUNNWGOKLMFO-UHFFFAOYSA-N 2 0 359.474 0.635 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000841931256 1222832192 /nfs/dbraw/zinc/83/21/92/1222832192.db2.gz QEQYRSVYHGPFSU-GOSISDBHSA-N 2 0 373.501 0.541 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926222 1222832277 /nfs/dbraw/zinc/83/22/77/1222832277.db2.gz CBOWTXHIGAPPJS-GOSISDBHSA-N 2 0 373.501 0.636 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000842132449 1222836307 /nfs/dbraw/zinc/83/63/07/1222836307.db2.gz BXCBWDLAJOSQJP-DZJNRPSUSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000842203012 1222840890 /nfs/dbraw/zinc/84/08/90/1222840890.db2.gz OANWCLABQFGFAC-ZGRYLRDCSA-N 2 0 366.506 0.474 20 0 FCADRP CC(C)Cn1c(N)c(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)c(=O)n(C)c1=O ZINC000843355537 1222872640 /nfs/dbraw/zinc/87/26/40/1222872640.db2.gz UKQYDNHRSAVKCW-UHFFFAOYSA-N 2 0 365.478 0.170 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC1=O ZINC001151458675 1222929557 /nfs/dbraw/zinc/92/95/57/1222929557.db2.gz LPQGSXBJFMGQQO-SFHVURJKSA-N 2 0 370.497 0.741 20 0 FCADRP CC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001277712741 1226168548 /nfs/dbraw/zinc/16/85/48/1226168548.db2.gz KXSHOTGLFVFTOE-MSOLQXFVSA-N 2 0 366.550 0.613 20 0 FCADRP Cn1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)c2cccn21 ZINC001154647518 1223014292 /nfs/dbraw/zinc/01/42/92/1223014292.db2.gz HCZHOGWFMDUBAX-UHFFFAOYSA-N 2 0 361.490 0.984 20 0 FCADRP CCOC(=O)[C@]12CN(c3cccc(N4CCOCC4)[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001154687753 1223015822 /nfs/dbraw/zinc/01/58/22/1223015822.db2.gz SVWNAFXXSQVJIP-DNVCBOLYSA-N 2 0 360.458 0.897 20 0 FCADRP COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037731 1223066177 /nfs/dbraw/zinc/06/61/77/1223066177.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 0 371.441 0.917 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001157355826 1223075100 /nfs/dbraw/zinc/07/51/00/1223075100.db2.gz WUSGELSIETYEOA-KRWDZBQOSA-N 2 0 361.490 0.065 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)c1cncc2c1CC[NH2+]C2)C(=O)N1CCCC1 ZINC001157399840 1223076156 /nfs/dbraw/zinc/07/61/56/1223076156.db2.gz XDVUJVWOQIOBMJ-KRWDZBQOSA-N 2 0 359.474 0.577 20 0 FCADRP COC(=O)CNC(=O)[C@@H]1CCCN1c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001157420420 1223076720 /nfs/dbraw/zinc/07/67/20/1223076720.db2.gz QDMYOSPUJRMWNG-AWEZNQCLSA-N 2 0 361.446 0.267 20 0 FCADRP c1cn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c2c1C[NH2+]CC2 ZINC001157441470 1223076837 /nfs/dbraw/zinc/07/68/37/1223076837.db2.gz AUXMKYYHQNIWDB-UHFFFAOYSA-N 2 0 370.457 0.586 20 0 FCADRP Cc1ccc(C)c(N2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)c1 ZINC001157473959 1223077457 /nfs/dbraw/zinc/07/74/57/1223077457.db2.gz GYMYJQPFYIPGDJ-SFHVURJKSA-N 2 0 359.518 0.702 20 0 FCADRP O=C(N1CCN(c2noc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157519176 1223077708 /nfs/dbraw/zinc/07/77/08/1223077708.db2.gz HQQJXVSCYWIUFK-AUUYWEPGSA-N 2 0 355.442 0.676 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157626614 1223079413 /nfs/dbraw/zinc/07/94/13/1223079413.db2.gz IAJXHUZBTQZHGS-INIZCTEOSA-N 2 0 362.474 0.777 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CC1 ZINC001157741447 1223080952 /nfs/dbraw/zinc/08/09/52/1223080952.db2.gz XDFKJXMGGIXZOG-JVPBZIDWSA-N 2 0 360.433 0.775 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721515 1223080957 /nfs/dbraw/zinc/08/09/57/1223080957.db2.gz ZAPJBVKYJWEFTI-MSOLQXFVSA-N 2 0 358.486 0.155 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1 ZINC001157721467 1223081310 /nfs/dbraw/zinc/08/13/10/1223081310.db2.gz YAJPZUHQICZTQI-TXPKVOOTSA-N 2 0 372.469 0.954 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721522 1223081356 /nfs/dbraw/zinc/08/13/56/1223081356.db2.gz ZAPJBVKYJWEFTI-ROUUACIJSA-N 2 0 358.486 0.155 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)CC1 ZINC001157773101 1223081908 /nfs/dbraw/zinc/08/19/08/1223081908.db2.gz HWSRXSDBBYSMIH-GJYPPUQNSA-N 2 0 360.433 0.779 20 0 FCADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960566 1223084967 /nfs/dbraw/zinc/08/49/67/1223084967.db2.gz LNAFJFWSQYNTQZ-CVEARBPZSA-N 2 0 367.457 0.097 20 0 FCADRP C[NH+]1CCN(c2cccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)n2)CC1 ZINC001158044115 1223087444 /nfs/dbraw/zinc/08/74/44/1223087444.db2.gz ZNKYUZIEPWRYSQ-UHFFFAOYSA-N 2 0 350.430 0.935 20 0 FCADRP O=C([C@@H]1C[NH2+]CCN1)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137812 1223089445 /nfs/dbraw/zinc/08/94/45/1223089445.db2.gz GWEXZQOUEOJCSW-MOPGFXCFSA-N 2 0 372.513 0.878 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119371 1223089447 /nfs/dbraw/zinc/08/94/47/1223089447.db2.gz GPFHDKRBFXORGC-FIKGOQFSSA-N 2 0 368.481 0.318 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168171 1223090247 /nfs/dbraw/zinc/09/02/47/1223090247.db2.gz CRMPSNOGNXIEOA-HOTGVXAUSA-N 3 0 365.522 0.178 20 0 FCADRP O=C(c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158167045 1223090256 /nfs/dbraw/zinc/09/02/56/1223090256.db2.gz HQMGEICLYWLJGO-IAGOWNOFSA-N 2 0 354.454 0.844 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001158249878 1223091912 /nfs/dbraw/zinc/09/19/12/1223091912.db2.gz QVSWZLKKHFTNSZ-GDBMZVCRSA-N 2 0 357.462 0.579 20 0 FCADRP O=C([C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263207 1223092137 /nfs/dbraw/zinc/09/21/37/1223092137.db2.gz ZXNCCUPIJGDZAB-BEFAXECRSA-N 2 0 374.489 0.248 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277647 1223093416 /nfs/dbraw/zinc/09/34/16/1223093416.db2.gz QOBHYYQFSPIZGC-SFHVURJKSA-N 2 0 372.448 0.798 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001158281841 1223093460 /nfs/dbraw/zinc/09/34/60/1223093460.db2.gz DDEIWYWAPOJKEY-ZACQAIPSSA-N 2 0 366.506 0.108 20 0 FCADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327937 1223095182 /nfs/dbraw/zinc/09/51/82/1223095182.db2.gz RQZQNEZXOKWSDC-YESZJQIVSA-N 2 0 354.454 0.200 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158411581 1223096952 /nfs/dbraw/zinc/09/69/52/1223096952.db2.gz HCCPBBMAPDVABV-YESZJQIVSA-N 2 0 370.538 0.744 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158415765 1223097589 /nfs/dbraw/zinc/09/75/89/1223097589.db2.gz ODMTWYKBVNVOFF-IPMKNSEASA-N 2 0 369.469 0.890 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001158496533 1223099856 /nfs/dbraw/zinc/09/98/56/1223099856.db2.gz RFEQAVSEZJXBSD-WPECMILSSA-N 2 0 365.474 0.287 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1[NH2+]CCc2cc(OC)ccc21 ZINC001158497708 1223100994 /nfs/dbraw/zinc/10/09/94/1223100994.db2.gz DVVQXQFXIDGZRE-VIBAHUMZSA-N 2 0 373.453 0.634 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533330 1223101829 /nfs/dbraw/zinc/10/18/29/1223101829.db2.gz KHOJHGNKTAJOEV-PFRQMTDMSA-N 2 0 373.453 0.427 20 0 FCADRP O=C(c1cccc(CN2CC[NH2+]CC2)c1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546832 1223102107 /nfs/dbraw/zinc/10/21/07/1223102107.db2.gz MSOMRNMVUNSBMV-SFHLNBCPSA-N 2 0 370.497 0.685 20 0 FCADRP [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158564375 1223102296 /nfs/dbraw/zinc/10/22/96/1223102296.db2.gz FRPFCCQMBBQLEF-PMPSAXMXSA-N 2 0 355.446 0.193 20 0 FCADRP CN1CC(=O)Nc2cnc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)nc21 ZINC001158581467 1223102909 /nfs/dbraw/zinc/10/29/09/1223102909.db2.gz UHXZHIOJUIQLKK-UHFFFAOYSA-N 2 0 359.478 0.518 20 0 FCADRP CCOC[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)Cc2nn(CC3CC3)cc21 ZINC001158797883 1223109253 /nfs/dbraw/zinc/10/92/53/1223109253.db2.gz CTKRLOFOIBUHSC-NVXWUHKLSA-N 2 0 373.501 0.564 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934186 1223113219 /nfs/dbraw/zinc/11/32/19/1223113219.db2.gz FTRXWHUQVLHILB-YESZJQIVSA-N 2 0 359.474 0.500 20 0 FCADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cn1 ZINC001159085886 1223117238 /nfs/dbraw/zinc/11/72/38/1223117238.db2.gz YPTMESNNFZSERT-HRCADAONSA-N 2 0 362.478 0.186 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132628 1223118315 /nfs/dbraw/zinc/11/83/15/1223118315.db2.gz BVKIZIXXYXVDET-SJORKVTESA-N 3 0 364.538 0.899 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160898 1223119756 /nfs/dbraw/zinc/11/97/56/1223119756.db2.gz VAKCDQBBULYSAO-KRWDZBQOSA-N 2 0 371.489 0.167 20 0 FCADRP C[C@]1(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC[NH2+]C1 ZINC001159167159 1223119840 /nfs/dbraw/zinc/11/98/40/1223119840.db2.gz VKZNUTDPZXFTQB-LXZJYRNTSA-N 2 0 372.517 0.979 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159192477 1223120325 /nfs/dbraw/zinc/12/03/25/1223120325.db2.gz SVGRJKCSNZYEKZ-RDJZCZTQSA-N 2 0 359.474 0.077 20 0 FCADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001159259202 1223121970 /nfs/dbraw/zinc/12/19/70/1223121970.db2.gz XUPZWTQMCNQJPF-SCTDSRPQSA-N 2 0 371.485 0.419 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccncn2)[C@H](O)OC(C)(C)C)C1 ZINC001159344044 1223124968 /nfs/dbraw/zinc/12/49/68/1223124968.db2.gz SQRKCXDMQVPHCO-CUINURIISA-N 2 0 367.494 0.750 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001159411411 1223126489 /nfs/dbraw/zinc/12/64/89/1223126489.db2.gz BKAWVWGAFYFRFD-QZTJIDSGSA-N 2 0 358.486 0.865 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2cccc(C[NH3+])c2)CC3)CC1 ZINC001159425047 1223126993 /nfs/dbraw/zinc/12/69/93/1223126993.db2.gz PAWBXLOFTAYIPJ-UHFFFAOYSA-N 2 0 368.485 0.745 20 0 FCADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549182 1223129532 /nfs/dbraw/zinc/12/95/32/1223129532.db2.gz MWDIBQZMGSSMDH-XJKSGUPXSA-N 2 0 358.446 0.232 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573841 1223129959 /nfs/dbraw/zinc/12/99/59/1223129959.db2.gz JGSWWUMRAZKGSV-OAHLLOKOSA-N 3 0 373.505 0.284 20 0 FCADRP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610835 1223131122 /nfs/dbraw/zinc/13/11/22/1223131122.db2.gz UYFSPCDXDIKZCQ-LRDDRELGSA-N 2 0 374.489 0.246 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665244 1223132796 /nfs/dbraw/zinc/13/27/96/1223132796.db2.gz IGWYPTFIZJUDFS-KSZLIROESA-N 3 0 361.490 0.340 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663981 1223132916 /nfs/dbraw/zinc/13/29/16/1223132916.db2.gz BQIZCFDLZZSMRT-KZNAEPCWSA-N 2 0 360.458 0.262 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696138 1223134212 /nfs/dbraw/zinc/13/42/12/1223134212.db2.gz COCFJEOSPFJJRR-ZWKOTPCHSA-N 2 0 370.497 0.836 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746436 1223135443 /nfs/dbraw/zinc/13/54/43/1223135443.db2.gz FTAPREAYZPMNBS-FRQCXROJSA-N 2 0 366.506 0.367 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159750973 1223135699 /nfs/dbraw/zinc/13/56/99/1223135699.db2.gz NVFQJRUFUXLMHN-YJBOKZPZSA-N 2 0 362.478 0.093 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@]4(C)CCC[NH2+]4)C3)O2)CC1 ZINC001159758755 1223135755 /nfs/dbraw/zinc/13/57/55/1223135755.db2.gz SAUQMSSBJCJLCM-MISYRCLQSA-N 2 0 364.534 0.916 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159811061 1223137161 /nfs/dbraw/zinc/13/71/61/1223137161.db2.gz VNOBDCNYESJOKB-HOTGVXAUSA-N 2 0 359.478 0.585 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001159841096 1223137414 /nfs/dbraw/zinc/13/74/14/1223137414.db2.gz GZHBXRRTUGTIKK-LULLPPNCSA-N 2 0 364.534 0.791 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834565 1223137638 /nfs/dbraw/zinc/13/76/38/1223137638.db2.gz VONHCVVHGVBYTQ-BPUTZDHNSA-N 2 0 374.514 0.869 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001159841107 1223137682 /nfs/dbraw/zinc/13/76/82/1223137682.db2.gz GZHBXRRTUGTIKK-XGXHKWSGSA-N 2 0 364.534 0.791 20 0 FCADRP CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159844406 1223137696 /nfs/dbraw/zinc/13/76/96/1223137696.db2.gz GNZQJENPUKAYDN-JKSUJKDBSA-N 2 0 368.522 0.613 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)C1CC[NH2+]CC1 ZINC001159905324 1223139616 /nfs/dbraw/zinc/13/96/16/1223139616.db2.gz LVIZRRUEMXETFJ-LMMKCTJWSA-N 2 0 360.458 0.547 20 0 FCADRP N[C@@]1(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCC[NH2+]C1 ZINC001160053542 1223143377 /nfs/dbraw/zinc/14/33/77/1223143377.db2.gz SCQZYHBGSPTRIY-FQEVSTJZSA-N 2 0 357.502 0.977 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160053857 1223143429 /nfs/dbraw/zinc/14/34/29/1223143429.db2.gz WCKILGSPSSTESB-GBESFXJTSA-N 3 0 369.513 0.846 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054069 1223143579 /nfs/dbraw/zinc/14/35/79/1223143579.db2.gz WVMYCACVYOPSIL-DAYGRLMNSA-N 3 0 362.478 0.095 20 0 FCADRP N[C@]1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CCC[NH2+]C1 ZINC001160138828 1223146459 /nfs/dbraw/zinc/14/64/59/1223146459.db2.gz RPGNOYOAZYDENZ-JHDROBOHSA-N 2 0 359.474 0.263 20 0 FCADRP NC1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC[NH2+]CC1 ZINC001160137207 1223146574 /nfs/dbraw/zinc/14/65/74/1223146574.db2.gz BRGUHHKDMWBLAY-UXLLHSPISA-N 2 0 359.474 0.263 20 0 FCADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157021 1223147260 /nfs/dbraw/zinc/14/72/60/1223147260.db2.gz SRRCNSYKFMAYQZ-GNBUJSLZSA-N 2 0 363.502 0.857 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H]2C[NH2+]CCN2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172024 1223147310 /nfs/dbraw/zinc/14/73/10/1223147310.db2.gz SUEFCMZWUZRWIT-SFHVURJKSA-N 2 0 366.469 0.699 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2O)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172582 1223148043 /nfs/dbraw/zinc/14/80/43/1223148043.db2.gz YWUDQPOLHDZVHU-WMZOPIPTSA-N 2 0 367.453 0.718 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192809 1223149123 /nfs/dbraw/zinc/14/91/23/1223149123.db2.gz IBWROCNBMBUFFH-HNNXBMFYSA-N 2 0 374.493 0.314 20 0 FCADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CCC2 ZINC001160324402 1223155065 /nfs/dbraw/zinc/15/50/65/1223155065.db2.gz UYRXABSZMCNPMV-HNNXBMFYSA-N 2 0 374.489 0.126 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001160458437 1223161041 /nfs/dbraw/zinc/16/10/41/1223161041.db2.gz LYHNPQDAIZVBMU-HKUYNNGSSA-N 2 0 358.486 0.912 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566640 1223164965 /nfs/dbraw/zinc/16/49/65/1223164965.db2.gz VBPWSBHSPOUPHN-INIZCTEOSA-N 2 0 354.458 0.016 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160709270 1223169300 /nfs/dbraw/zinc/16/93/00/1223169300.db2.gz DWBQUPDMWLJVLB-YSIASYRMSA-N 2 0 354.498 0.986 20 0 FCADRP O=C(COC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1)NC1CC1 ZINC001160743667 1223170231 /nfs/dbraw/zinc/17/02/31/1223170231.db2.gz YEWSGYAKVMTKLR-INIZCTEOSA-N 2 0 364.490 0.147 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778818 1223172104 /nfs/dbraw/zinc/17/21/04/1223172104.db2.gz AMXXDXJZBSGGQX-UWVAXJGDSA-N 2 0 358.486 0.476 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C)[C@H]3CC[NH2+][C@H](C)C3)C[C@H]1C2 ZINC001160794528 1223172935 /nfs/dbraw/zinc/17/29/35/1223172935.db2.gz PPQWGJAHHUGPBR-RFUIOQCUSA-N 2 0 363.502 0.868 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3COC4(C3)CC[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160811568 1223174572 /nfs/dbraw/zinc/17/45/72/1223174572.db2.gz QJPGDCPKAZAIST-QMTMVMCOSA-N 2 0 365.474 0.146 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805767 1223174770 /nfs/dbraw/zinc/17/47/70/1223174770.db2.gz GIUDWHBZFNPZKT-SFHVURJKSA-N 2 0 374.533 0.474 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C[C@H]1C[NH2+]CC2 ZINC001160816450 1223175187 /nfs/dbraw/zinc/17/51/87/1223175187.db2.gz APKUPFFQOMTBNG-FZKQIMNGSA-N 2 0 359.430 0.607 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915636 1223180544 /nfs/dbraw/zinc/18/05/44/1223180544.db2.gz HNKQTNJRPPBKAE-HNNXBMFYSA-N 2 0 363.437 0.147 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CC(F)(F)C1 ZINC001160973947 1223182686 /nfs/dbraw/zinc/18/26/86/1223182686.db2.gz YQEKGDWXZOWPMV-GWCFXTLKSA-N 2 0 366.372 0.199 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007504 1223182914 /nfs/dbraw/zinc/18/29/14/1223182914.db2.gz KJFHJZBZTXGIAS-AEFFLSMTSA-N 2 0 354.454 0.820 20 0 FCADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001161000528 1223183097 /nfs/dbraw/zinc/18/30/97/1223183097.db2.gz USSNPYKBBVFSDF-KRWDZBQOSA-N 2 0 358.486 0.709 20 0 FCADRP COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161145739 1223187164 /nfs/dbraw/zinc/18/71/64/1223187164.db2.gz ITMRYEIXMFVZNR-SJORKVTESA-N 2 0 362.474 0.329 20 0 FCADRP C[C@@]1(CC(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161196230 1223188584 /nfs/dbraw/zinc/18/85/84/1223188584.db2.gz AXZOPKJORNCUQN-FQEVSTJZSA-N 2 0 366.550 0.927 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196473 1223188611 /nfs/dbraw/zinc/18/86/11/1223188611.db2.gz JBXXPBJPXFZNCM-IEBWSBKVSA-N 2 0 366.550 0.783 20 0 FCADRP O=C(CC1CC[NH2+]CC1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196531 1223188616 /nfs/dbraw/zinc/18/86/16/1223188616.db2.gz LGIKIEBWHBYXDH-UHFFFAOYSA-N 2 0 366.550 0.927 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC001161198520 1223189417 /nfs/dbraw/zinc/18/94/17/1223189417.db2.gz VPKDXHGPDYPDCU-RDTXWAMCSA-N 2 0 374.526 0.650 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246948 1223191785 /nfs/dbraw/zinc/19/17/85/1223191785.db2.gz SXBXAACJULEUMB-YJBOKZPZSA-N 2 0 361.421 0.053 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322260 1223195868 /nfs/dbraw/zinc/19/58/68/1223195868.db2.gz NOPXGHDBIUYTGP-QGPMSJSTSA-N 3 0 367.538 0.014 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378736 1223197250 /nfs/dbraw/zinc/19/72/50/1223197250.db2.gz MIBXFUOXUOZMPF-MSOLQXFVSA-N 2 0 374.485 0.471 20 0 FCADRP COc1ccnc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C2CC[NH2+]CC2)c1 ZINC001161385521 1223197679 /nfs/dbraw/zinc/19/76/79/1223197679.db2.gz CXESLJCAEFOZNM-AUUYWEPGSA-N 3 0 359.474 0.374 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N(c2ccncc2F)C2CC[NH2+]CC2)C1=O ZINC001161385970 1223197893 /nfs/dbraw/zinc/19/78/93/1223197893.db2.gz CYHOTEGBZGSSFW-HNNXBMFYSA-N 2 0 363.437 0.646 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161438450 1223199145 /nfs/dbraw/zinc/19/91/45/1223199145.db2.gz HQVMHWXLXUKSRA-QAPCUYQASA-N 2 0 373.501 0.110 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC001161449145 1223199677 /nfs/dbraw/zinc/19/96/77/1223199677.db2.gz KBIFJYFRPKWIKL-SJORKVTESA-N 3 0 368.522 0.389 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])C1Cc3ccccc3C1)CC2 ZINC001161480841 1223200787 /nfs/dbraw/zinc/20/07/87/1223200787.db2.gz VMGBPUAVNAWATR-FUHIMQAGSA-N 2 0 357.454 0.482 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1)CC2 ZINC001161479718 1223201010 /nfs/dbraw/zinc/20/10/10/1223201010.db2.gz LPQJRCLPFZLKGE-AYOQOUSVSA-N 2 0 363.433 0.839 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1ccc3c(c1)CC[NH2+]CC3)CC2 ZINC001161483490 1223201544 /nfs/dbraw/zinc/20/15/44/1223201544.db2.gz MZLGXAWABZSJJR-FXAWDEMLSA-N 2 0 357.454 0.742 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)CC12COC2 ZINC001161509882 1223202895 /nfs/dbraw/zinc/20/28/95/1223202895.db2.gz MCBJPNYRDBAOSM-ZWKOTPCHSA-N 2 0 369.469 0.300 20 0 FCADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001161602208 1223205493 /nfs/dbraw/zinc/20/54/93/1223205493.db2.gz URJCTNUQCYLDLI-ZDUSSCGKSA-N 2 0 361.446 0.313 20 0 FCADRP O=C1N[C@H](c2ccc(NCc3nnn4c3C[NH2+]CCC4)cc2)CC12C[NH2+]C2 ZINC001162971865 1223222544 /nfs/dbraw/zinc/22/25/44/1223222544.db2.gz PLFRALAVRLHKRX-HNNXBMFYSA-N 2 0 367.457 0.534 20 0 FCADRP Cc1cc(OC2CC[NH2+]CC2)nc(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162972919 1223222721 /nfs/dbraw/zinc/22/27/21/1223222721.db2.gz LQQDWEQWOMSCMD-UHFFFAOYSA-N 2 0 358.450 0.613 20 0 FCADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001163028321 1223224464 /nfs/dbraw/zinc/22/44/64/1223224464.db2.gz ZLIRIHOZMDZPKP-CQSZACIVSA-N 2 0 358.446 0.674 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163102078 1223225552 /nfs/dbraw/zinc/22/55/52/1223225552.db2.gz KPCHDAFHNJNFRS-FYNNLBNCSA-N 2 0 360.458 0.512 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316130 1223229308 /nfs/dbraw/zinc/22/93/08/1223229308.db2.gz OPPZGNGERFEVNT-KXBFYZLASA-N 2 0 374.489 0.624 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)[nH+]2)CC1 ZINC001165342027 1223244788 /nfs/dbraw/zinc/24/47/88/1223244788.db2.gz SHKSLSUHOMRWHM-IBGZPJMESA-N 3 0 361.490 0.594 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165729098 1223255150 /nfs/dbraw/zinc/25/51/50/1223255150.db2.gz YYYBFZAGYMDOPR-HZPDHXFCSA-N 2 0 368.522 0.354 20 0 FCADRP COC(=O)C1(Nc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)CC[NH2+]CC1 ZINC001166946891 1223290038 /nfs/dbraw/zinc/29/00/38/1223290038.db2.gz DHLGRZDUEUFQIM-HNNXBMFYSA-N 2 0 358.442 0.544 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001205339538 1223320447 /nfs/dbraw/zinc/32/04/47/1223320447.db2.gz HWJYHBJYPQCYSY-DLBZAZTESA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001205340335 1223320578 /nfs/dbraw/zinc/32/05/78/1223320578.db2.gz XAASUXZUUUMUBR-KBAYOESNSA-N 2 0 363.506 0.412 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205387848 1223321532 /nfs/dbraw/zinc/32/15/32/1223321532.db2.gz NCSQHAMIUPJWOH-BBWFWOEESA-N 2 0 362.449 0.550 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001205432088 1223323217 /nfs/dbraw/zinc/32/32/17/1223323217.db2.gz BYTVLKIZHSTPPG-YESZJQIVSA-N 2 0 362.449 0.550 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205445887 1223324043 /nfs/dbraw/zinc/32/40/43/1223324043.db2.gz PDBSKICOKLSVKB-RRQGHBQHSA-N 2 0 364.465 0.925 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+](CC(=O)NC)CC2)[C@H]2COC[C@H]21 ZINC001205513990 1223329688 /nfs/dbraw/zinc/32/96/88/1223329688.db2.gz WQOXWWGVXOATJI-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC2(CC[NH+]([C@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205519504 1223330240 /nfs/dbraw/zinc/33/02/40/1223330240.db2.gz QUPWBGNNDZLSLI-OWCLPIDISA-N 2 0 366.506 0.140 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001205644616 1223333678 /nfs/dbraw/zinc/33/36/78/1223333678.db2.gz CMYVRBNIUIVOBW-GOEBONIOSA-N 2 0 362.449 0.537 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648719 1223334001 /nfs/dbraw/zinc/33/40/01/1223334001.db2.gz PTKVYKYPSGOJEB-UWWQBHOKSA-N 2 0 367.465 0.669 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648714 1223334046 /nfs/dbraw/zinc/33/40/46/1223334046.db2.gz PTKVYKYPSGOJEB-QILLFSRXSA-N 2 0 367.465 0.669 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205664046 1223334375 /nfs/dbraw/zinc/33/43/75/1223334375.db2.gz LJVHUSFOHQHWJR-UKPHBRMFSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205674395 1223334734 /nfs/dbraw/zinc/33/47/34/1223334734.db2.gz PDKGOQCWOUPVLY-DOTOQJQBSA-N 2 0 364.465 0.927 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206476330 1223360010 /nfs/dbraw/zinc/36/00/10/1223360010.db2.gz UNWRKXNOQYEVPZ-DOTOQJQBSA-N 2 0 365.522 0.455 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C[C@@H]21)c1cnccn1 ZINC001207436646 1223446375 /nfs/dbraw/zinc/44/63/75/1223446375.db2.gz GJIKPQYNPPRPKY-XYJFISCASA-N 2 0 359.474 0.543 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001207538661 1223453767 /nfs/dbraw/zinc/45/37/67/1223453767.db2.gz SKQPXJVEYXVNHM-KBAYOESNSA-N 2 0 369.506 0.075 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001208107767 1223516497 /nfs/dbraw/zinc/51/64/97/1223516497.db2.gz SJRZALIJCBGLKQ-DJIMGWMZSA-N 2 0 359.474 0.638 20 0 FCADRP COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110912 1223516579 /nfs/dbraw/zinc/51/65/79/1223516579.db2.gz XWZYBKCAIKREFO-MRXNPFEDSA-N 2 0 363.506 0.809 20 0 FCADRP CCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425641 1223542879 /nfs/dbraw/zinc/54/28/79/1223542879.db2.gz RBGFWEKUGBUVOU-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208484890 1223550535 /nfs/dbraw/zinc/55/05/35/1223550535.db2.gz BZTZJCQQZYLPLS-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149718 1223600691 /nfs/dbraw/zinc/60/06/91/1223600691.db2.gz CSKCXVYZHILCGO-CRAIPNDOSA-N 2 0 368.522 0.308 20 0 FCADRP Nc1cc[nH+]cc1CN1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001209725498 1223643807 /nfs/dbraw/zinc/64/38/07/1223643807.db2.gz KLSAJRVXVHTZTB-KURKYZTESA-N 2 0 360.458 0.769 20 0 FCADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(Cc3c[nH+]ccc3N)C2)CC1 ZINC001209731622 1223644711 /nfs/dbraw/zinc/64/47/11/1223644711.db2.gz YFTVRZAHCGREQF-MRXNPFEDSA-N 2 0 355.490 0.570 20 0 FCADRP CCOCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210051765 1223663086 /nfs/dbraw/zinc/66/30/86/1223663086.db2.gz UGHNKIFTRKTPDN-IXDOHACOSA-N 2 0 370.538 0.696 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350739 1223736549 /nfs/dbraw/zinc/73/65/49/1223736549.db2.gz WIRZKYQSCBABIX-SJLPKXTDSA-N 2 0 368.522 0.452 20 0 FCADRP CO[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213576023 1223816117 /nfs/dbraw/zinc/81/61/17/1223816117.db2.gz FCPXZCBZQJQPBH-IAGOWNOFSA-N 2 0 360.462 0.721 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638587 1223826124 /nfs/dbraw/zinc/82/61/24/1223826124.db2.gz VVCVIRADIAQJGR-QZTJIDSGSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751707 1223844240 /nfs/dbraw/zinc/84/42/40/1223844240.db2.gz NBNKSQMFNLJATO-IAGOWNOFSA-N 2 0 364.490 0.433 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213764851 1223845971 /nfs/dbraw/zinc/84/59/71/1223845971.db2.gz GUTWTUQMUGBRBF-QZTJIDSGSA-N 2 0 365.522 0.993 20 0 FCADRP CO[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871808 1223865360 /nfs/dbraw/zinc/86/53/60/1223865360.db2.gz IACMIXQCCBNLHT-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914424 1223871461 /nfs/dbraw/zinc/87/14/61/1223871461.db2.gz FRQJXNBYKUGSFW-QZTJIDSGSA-N 2 0 363.506 0.654 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597728 1223924799 /nfs/dbraw/zinc/92/47/99/1223924799.db2.gz OIGRYTREZAPUMW-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214646786 1223929086 /nfs/dbraw/zinc/92/90/86/1223929086.db2.gz YAXBBPATRLNOKC-ZTFGCOKTSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214646422 1223929329 /nfs/dbraw/zinc/92/93/29/1223929329.db2.gz RWOLSGQNFOVSSU-ZTFGCOKTSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001214655180 1223929462 /nfs/dbraw/zinc/92/94/62/1223929462.db2.gz CJOFURBBLMOHNH-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665503 1223930864 /nfs/dbraw/zinc/93/08/64/1223930864.db2.gz DCYXPJIPOXYHKZ-YYIAUSFCSA-N 2 0 368.522 0.306 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)on1 ZINC001214847559 1223948107 /nfs/dbraw/zinc/94/81/07/1223948107.db2.gz JMQSLWQVVILNHE-TZMCWYRMSA-N 2 0 363.462 0.842 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214860930 1223948819 /nfs/dbraw/zinc/94/88/19/1223948819.db2.gz BMBHKGHXMVRXSL-RHSMWYFYSA-N 2 0 362.474 0.817 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)on1 ZINC001214861172 1223949031 /nfs/dbraw/zinc/94/90/31/1223949031.db2.gz KEPYSGHCCZWKPZ-IUODEOHRSA-N 2 0 363.462 0.842 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)NC1CC1 ZINC001214948751 1223958559 /nfs/dbraw/zinc/95/85/59/1223958559.db2.gz YUMYDCFEJNWZQY-HLLBOEOZSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001214967204 1223960261 /nfs/dbraw/zinc/96/02/61/1223960261.db2.gz SJDORTVHVVPHPC-DDUZABMNSA-N 2 0 368.441 0.871 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057012 1223968945 /nfs/dbraw/zinc/96/89/45/1223968945.db2.gz SDFFDMFOTHATBP-IXDOHACOSA-N 2 0 369.506 0.075 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122550 1223976098 /nfs/dbraw/zinc/97/60/98/1223976098.db2.gz QIINIZYTWMQTIJ-RHSMWYFYSA-N 2 0 370.457 0.796 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215199965 1223981741 /nfs/dbraw/zinc/98/17/41/1223981741.db2.gz MPKTVQVYQACVRM-OWCLPIDISA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215200120 1223981777 /nfs/dbraw/zinc/98/17/77/1223981777.db2.gz PYAZBJSQTFLMDQ-GDBMZVCRSA-N 2 0 361.490 0.658 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396820 1223996481 /nfs/dbraw/zinc/99/64/81/1223996481.db2.gz FBHOWPDHLTZKTB-LTIDMASMSA-N 2 0 368.522 0.306 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n(C)n1 ZINC001215423308 1223998861 /nfs/dbraw/zinc/99/88/61/1223998861.db2.gz GMTTWNAPNZAEDA-UKRRQHHQSA-N 2 0 364.494 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1F ZINC001215458691 1224000444 /nfs/dbraw/zinc/00/04/44/1224000444.db2.gz FSKWNFZHLVGQHC-RHSMWYFYSA-N 2 0 364.465 0.830 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001215476865 1224001211 /nfs/dbraw/zinc/00/12/11/1224001211.db2.gz YYFRZKHKLOBIAD-QGPMSJSTSA-N 2 0 368.522 0.304 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1)[NH+]1CCCC1 ZINC001215598484 1224008126 /nfs/dbraw/zinc/00/81/26/1224008126.db2.gz BWCQLAKFGVXVCI-BRWVUGGUSA-N 2 0 363.506 0.858 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598834 1224008560 /nfs/dbraw/zinc/00/85/60/1224008560.db2.gz JPPVRTQSEXYDAH-KZNAEPCWSA-N 2 0 371.522 0.587 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778410 1224017576 /nfs/dbraw/zinc/01/75/76/1224017576.db2.gz JXVHSTRIIXFMHB-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001215993941 1224029080 /nfs/dbraw/zinc/02/90/80/1224029080.db2.gz IWOCGRVASVLTQH-QLFBSQMISA-N 2 0 362.478 0.582 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053249 1224031306 /nfs/dbraw/zinc/03/13/06/1224031306.db2.gz HIGQEKTVWVNCSL-IAGOWNOFSA-N 2 0 367.538 0.862 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053747 1224032021 /nfs/dbraw/zinc/03/20/21/1224032021.db2.gz WTDGVNAGKXZILM-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216091621 1224034271 /nfs/dbraw/zinc/03/42/71/1224034271.db2.gz VVNDALOVPMPDKT-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490379 1224053016 /nfs/dbraw/zinc/05/30/16/1224053016.db2.gz ALMAJDCFVBRAQC-QLFBSQMISA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001216752412 1224068510 /nfs/dbraw/zinc/06/85/10/1224068510.db2.gz NXSDAMSWVQMCDR-HLLBOEOZSA-N 2 0 362.474 0.626 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC001216757789 1224069363 /nfs/dbraw/zinc/06/93/63/1224069363.db2.gz MCSOWWFXVDTNHO-ZIFCJYIRSA-N 2 0 361.486 0.959 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001216845133 1224078462 /nfs/dbraw/zinc/07/84/62/1224078462.db2.gz YTAQOODYPNBCPV-KFWWJZLASA-N 2 0 363.462 0.924 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216853514 1224079187 /nfs/dbraw/zinc/07/91/87/1224079187.db2.gz FCSKXOSDZRORQM-UMVBOHGHSA-N 2 0 367.494 0.140 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000988038381 1249307888 /nfs/dbraw/zinc/30/78/88/1249307888.db2.gz XDVBOIRYKIKJEO-SOLBZPMBSA-N 2 0 364.534 0.975 20 0 FCADRP [NH2+]=C(NCCNC(=O)c1ccn[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849078385 1245392111 /nfs/dbraw/zinc/39/21/11/1245392111.db2.gz RDSGRUTWAYANOR-UHFFFAOYSA-N 2 0 369.473 0.918 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C1 ZINC000891531287 1245453017 /nfs/dbraw/zinc/45/30/17/1245453017.db2.gz ZYADSCWAXSKWBJ-SQNIBIBYSA-N 2 0 371.485 0.640 20 0 FCADRP COCCC1(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000891560399 1245455074 /nfs/dbraw/zinc/45/50/74/1245455074.db2.gz MIFRPYWQMUFQNL-INIZCTEOSA-N 2 0 367.538 0.613 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897056760 1245464877 /nfs/dbraw/zinc/46/48/77/1245464877.db2.gz MUQKTCZEMUVEKY-OALUTQOASA-N 2 0 365.518 0.981 20 0 FCADRP C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897262944 1245469117 /nfs/dbraw/zinc/46/91/17/1245469117.db2.gz DGWGHRHSTJJHJZ-QFBILLFUSA-N 2 0 364.534 0.582 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504230 1245502269 /nfs/dbraw/zinc/50/22/69/1245502269.db2.gz VPALWRPWDFEODL-INIZCTEOSA-N 2 0 359.474 0.502 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911565011 1245515270 /nfs/dbraw/zinc/51/52/70/1245515270.db2.gz YCUZJPMXAJZFPS-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475663 1245558374 /nfs/dbraw/zinc/55/83/74/1245558374.db2.gz CNRYOLOHPBJKSA-ROUUACIJSA-N 2 0 373.501 0.887 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000922340770 1245669219 /nfs/dbraw/zinc/66/92/19/1245669219.db2.gz HBVNEEBHJLVAPR-GOSISDBHSA-N 2 0 364.534 0.775 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000922342413 1245671891 /nfs/dbraw/zinc/67/18/91/1245671891.db2.gz ZVWBJIVFSVOFRF-QRVBRYPASA-N 2 0 364.534 0.916 20 0 FCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000923485761 1245724840 /nfs/dbraw/zinc/72/48/40/1245724840.db2.gz LFZFFZQAWMCIML-KRWDZBQOSA-N 2 0 374.485 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@H]4CCOC4)C3)CC2)CC[N@@H+]1C ZINC000941412482 1246607582 /nfs/dbraw/zinc/60/75/82/1246607582.db2.gz HDFUQHGUAWLECR-ZIFCJYIRSA-N 2 0 364.534 0.582 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943068850 1247255315 /nfs/dbraw/zinc/25/53/15/1247255315.db2.gz JPQXTAYPGFXLET-USXIJHARSA-N 2 0 371.441 0.242 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943592040 1247363023 /nfs/dbraw/zinc/36/30/23/1247363023.db2.gz ULVGBOIYPBOANC-USXIJHARSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620112 1247369717 /nfs/dbraw/zinc/36/97/17/1247369717.db2.gz BQDLMTJZDLKDDI-OAGGEKHMSA-N 2 0 366.506 0.010 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)CC[N@@H+]1C ZINC000944615169 1247577037 /nfs/dbraw/zinc/57/70/37/1247577037.db2.gz GHRJTBUBCZFJKO-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)CC[N@@H+]1C ZINC000944616438 1247581131 /nfs/dbraw/zinc/58/11/31/1247581131.db2.gz ODLXXLUQJXGVDM-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001327813981 1265433074 /nfs/dbraw/zinc/43/30/74/1265433074.db2.gz UDXYYROZMHMNOP-GOSISDBHSA-N 2 0 358.486 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335723 1250385054 /nfs/dbraw/zinc/38/50/54/1250385054.db2.gz NOSIYHNOMTXETM-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001515328248 1265505566 /nfs/dbraw/zinc/50/55/66/1265505566.db2.gz VEGFETFTCNXWOS-IKGGRYGDSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC000995833312 1250999410 /nfs/dbraw/zinc/99/94/10/1250999410.db2.gz PWPNDGIVIXFMHH-VYDXJSESSA-N 2 0 366.506 0.045 20 0 FCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001328438385 1265548296 /nfs/dbraw/zinc/54/82/96/1265548296.db2.gz WUANUQVABDRICC-ZDUSSCGKSA-N 2 0 359.434 0.268 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000996607376 1251404017 /nfs/dbraw/zinc/40/40/17/1251404017.db2.gz NUWCLVZKLMZFAV-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001328732716 1265604346 /nfs/dbraw/zinc/60/43/46/1265604346.db2.gz MBDUBTNJYZELLN-FUHWJXTLSA-N 2 0 360.502 0.987 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000998467114 1251890538 /nfs/dbraw/zinc/89/05/38/1251890538.db2.gz SJSWIAIAXCDGGE-NCOADZHNSA-N 2 0 359.474 0.781 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC000998668996 1251946743 /nfs/dbraw/zinc/94/67/43/1251946743.db2.gz NQWNHLWBINCIFR-KPEUIFRASA-N 2 0 371.485 0.961 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001002709052 1252650876 /nfs/dbraw/zinc/65/08/76/1252650876.db2.gz NAWCPQLPHCGPPJ-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003746108 1253088768 /nfs/dbraw/zinc/08/87/68/1253088768.db2.gz OCJPUPYTSDTKNU-ZACQAIPSSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001003793355 1253110624 /nfs/dbraw/zinc/11/06/24/1253110624.db2.gz NBOVWLGTSKVMQQ-OIISXLGYSA-N 2 0 366.506 0.010 20 0 FCADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)[NH+](C)C ZINC001004390728 1253311504 /nfs/dbraw/zinc/31/15/04/1253311504.db2.gz LAIYJHOFPVKSGC-WCXIOVBPSA-N 2 0 362.518 0.917 20 0 FCADRP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001519902860 1265797123 /nfs/dbraw/zinc/79/71/23/1265797123.db2.gz VJUQWUVTCSXBQA-NVXWUHKLSA-N 2 0 355.527 0.373 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1C ZINC001058251045 1254099501 /nfs/dbraw/zinc/09/95/01/1254099501.db2.gz SRMWRANYFWTDBN-GVDBMIGSSA-N 2 0 370.538 0.240 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC2)CC[N@@H+]1C ZINC001063152963 1254306397 /nfs/dbraw/zinc/30/63/97/1254306397.db2.gz RFOMHTZZGQKLMJ-DJIMGWMZSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001065212624 1254493640 /nfs/dbraw/zinc/49/36/40/1254493640.db2.gz RCQBBMPOMXSIOJ-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)CC)CCO2)CC[N@@H+]1C ZINC001065613751 1254548549 /nfs/dbraw/zinc/54/85/49/1254548549.db2.gz CEGYEORGWCCLIK-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1N1CC[NH+](C)CC1 ZINC001329947007 1265903381 /nfs/dbraw/zinc/90/33/81/1265903381.db2.gz AKCWCLZVMHQENU-QGZVFWFLSA-N 2 0 361.490 0.935 20 0 FCADRP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078008646 1255163616 /nfs/dbraw/zinc/16/36/16/1255163616.db2.gz ONYZHIAJAQONOS-BHIYHBOVSA-N 2 0 361.486 0.877 20 0 FCADRP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078008484 1255164473 /nfs/dbraw/zinc/16/44/73/1255164473.db2.gz HJQRZVZERMKUFB-BHIYHBOVSA-N 2 0 361.486 0.877 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174414 1255288238 /nfs/dbraw/zinc/28/82/38/1255288238.db2.gz KRGXWDDXCKVOCU-BHIYHBOVSA-N 2 0 354.454 0.848 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079242353 1255484932 /nfs/dbraw/zinc/48/49/32/1255484932.db2.gz VCUBNWIZHIDTCP-OKZBNKHCSA-N 2 0 363.502 0.260 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079268160 1255494774 /nfs/dbraw/zinc/49/47/74/1255494774.db2.gz QPMIHKQHZUVBHD-ZWKOTPCHSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717481 1255585475 /nfs/dbraw/zinc/58/54/75/1255585475.db2.gz KJGFKDIWILGFLJ-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164658 1255767954 /nfs/dbraw/zinc/76/79/54/1255767954.db2.gz LTYBNGZBAMZGQV-LOFRJYDISA-N 2 0 356.470 0.881 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559180 1255930524 /nfs/dbraw/zinc/93/05/24/1255930524.db2.gz YVBOHVPYWQHXCC-KBAYOESNSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554478 1255930567 /nfs/dbraw/zinc/93/05/67/1255930567.db2.gz RGJHEUSSCIICOC-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)CC1 ZINC001080699870 1255993263 /nfs/dbraw/zinc/99/32/63/1255993263.db2.gz AOVPFGKNINIXMF-NVXWUHKLSA-N 2 0 365.522 0.569 20 0 FCADRP O=C(C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1)N1CCC1 ZINC001081227146 1256212390 /nfs/dbraw/zinc/21/23/90/1256212390.db2.gz SNHAFJUGXSPBIG-RBUKOAKNSA-N 2 0 370.497 0.899 20 0 FCADRP CSC1(CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC001520968619 1266053946 /nfs/dbraw/zinc/05/39/46/1266053946.db2.gz AYXSJABDMOAWBG-OAHLLOKOSA-N 2 0 357.568 0.749 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082585784 1256901513 /nfs/dbraw/zinc/90/15/13/1256901513.db2.gz HOTUXMJLJALZEO-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082588552 1256902719 /nfs/dbraw/zinc/90/27/19/1256902719.db2.gz BJRRGYIROWUTPW-RBSFLKMASA-N 2 0 362.474 0.104 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082592185 1256905629 /nfs/dbraw/zinc/90/56/29/1256905629.db2.gz RKRXEMLJNJQGRP-HZPDHXFCSA-N 2 0 364.494 0.073 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082645210 1256951412 /nfs/dbraw/zinc/95/14/12/1256951412.db2.gz NTDYUQJGKISPFL-CZUORRHYSA-N 2 0 356.430 0.410 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082653592 1256957159 /nfs/dbraw/zinc/95/71/59/1256957159.db2.gz SLJPDIFEYOKVIJ-PWRQTXRISA-N 2 0 359.474 0.220 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653489 1256958190 /nfs/dbraw/zinc/95/81/90/1256958190.db2.gz NAUGSZWNMZJQRN-MTYXXWPBSA-N 2 0 371.485 0.585 20 0 FCADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082827843 1257086612 /nfs/dbraw/zinc/08/66/12/1257086612.db2.gz DOFAFLWDISSNDW-NVXWUHKLSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082864379 1257113349 /nfs/dbraw/zinc/11/33/49/1257113349.db2.gz ILHCFMAIZWGCPD-GDBMZVCRSA-N 2 0 359.474 0.820 20 0 FCADRP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749161 1257487800 /nfs/dbraw/zinc/48/78/00/1257487800.db2.gz KRURUASALQNWDN-MJGOQNOKSA-N 2 0 360.502 0.756 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC001521433290 1266120803 /nfs/dbraw/zinc/12/08/03/1266120803.db2.gz FHZOZDJXVADWKG-FCEWJHQRSA-N 2 0 360.502 0.816 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)cc1 ZINC001083864141 1257626550 /nfs/dbraw/zinc/62/65/50/1257626550.db2.gz ZVXFNRROEHHIHR-UHOSZYNNSA-N 2 0 361.486 0.950 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)C[NH+]1CCN(C)CC1 ZINC001521503673 1266128856 /nfs/dbraw/zinc/12/88/56/1266128856.db2.gz JZIQDDPAQKNQHL-BDXSIMOUSA-N 2 0 352.523 0.533 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)CC1 ZINC001083908599 1257688409 /nfs/dbraw/zinc/68/84/09/1257688409.db2.gz MIOCZSUYEGDOOB-MSOLQXFVSA-N 2 0 363.506 0.244 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937052 1257722866 /nfs/dbraw/zinc/72/28/66/1257722866.db2.gz KFRMIEVHOGTMLU-UHOSZYNNSA-N 2 0 365.518 0.696 20 0 FCADRP COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053623 1257864547 /nfs/dbraw/zinc/86/45/47/1257864547.db2.gz DSOFUXMKCFZHCE-KURKYZTESA-N 2 0 361.486 0.741 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054161 1257866516 /nfs/dbraw/zinc/86/65/16/1257866516.db2.gz YTMQKYQKOFJKMC-KURKYZTESA-N 2 0 359.470 0.277 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001521604715 1266148501 /nfs/dbraw/zinc/14/85/01/1266148501.db2.gz VDBDVXQMURATCF-IBGZPJMESA-N 2 0 353.507 0.842 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231136 1257977219 /nfs/dbraw/zinc/97/72/19/1257977219.db2.gz USMXATHFTUXMJN-KZNAEPCWSA-N 2 0 356.470 0.912 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CCC1 ZINC001084403788 1258082018 /nfs/dbraw/zinc/08/20/18/1258082018.db2.gz BTZZPKJPLZKCCJ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775934 1258318776 /nfs/dbraw/zinc/31/87/76/1258318776.db2.gz ZKSVGQXMFSDYMI-BZUAXINKSA-N 2 0 362.474 0.010 20 0 FCADRP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001084832561 1258377425 /nfs/dbraw/zinc/37/74/25/1258377425.db2.gz MCAKDMNFNRIDNX-QZTJIDSGSA-N 2 0 356.470 0.914 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1)C1CCC1 ZINC001084958980 1258469919 /nfs/dbraw/zinc/46/99/19/1258469919.db2.gz JBBSRBPLRKPYLP-WBVHZDCISA-N 2 0 363.506 0.419 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)CC1 ZINC001085022111 1258528907 /nfs/dbraw/zinc/52/89/07/1258528907.db2.gz BRCQWAUCGXCEDF-AEFFLSMTSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033098 1258533960 /nfs/dbraw/zinc/53/39/60/1258533960.db2.gz QJBJCBALPZWXKI-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033293 1258535685 /nfs/dbraw/zinc/53/56/85/1258535685.db2.gz ZFAIDZOFXWQUFM-BBWFWOEESA-N 2 0 363.506 0.276 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085050098 1258547381 /nfs/dbraw/zinc/54/73/81/1258547381.db2.gz WQVOFUSEIWVCBM-MSOLQXFVSA-N 2 0 360.506 0.933 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074896 1258568737 /nfs/dbraw/zinc/56/87/37/1258568737.db2.gz HSRLILXBWBUGHU-BBWFWOEESA-N 2 0 363.506 0.276 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC001085200344 1258627371 /nfs/dbraw/zinc/62/73/71/1258627371.db2.gz FAAGQLUGBDWVHG-KZNAEPCWSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001085203379 1258629492 /nfs/dbraw/zinc/62/94/92/1258629492.db2.gz GIHINKDQKLUUHM-GBJTYRQASA-N 2 0 364.494 0.356 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnn(C)n1 ZINC001087166042 1258634909 /nfs/dbraw/zinc/63/49/09/1258634909.db2.gz WLQBBIRNBNHWDW-PMPSAXMXSA-N 2 0 363.510 0.800 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166217 1258681536 /nfs/dbraw/zinc/68/15/36/1258681536.db2.gz PPDLVKAWIFEPMF-OLMNPRSZSA-N 2 0 362.518 0.763 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170057 1258689737 /nfs/dbraw/zinc/68/97/37/1258689737.db2.gz CPDJQZCDXKWBTF-ZACQAIPSSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170073 1258689778 /nfs/dbraw/zinc/68/97/78/1258689778.db2.gz DBXAMLQMEIOLSB-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP O=C(N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088171727 1258690372 /nfs/dbraw/zinc/69/03/72/1258690372.db2.gz DQZOBJFNRUIYEI-IXDOHACOSA-N 2 0 370.501 0.642 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC001331389542 1266204794 /nfs/dbraw/zinc/20/47/94/1266204794.db2.gz YJBXMUARHNUASH-KRWDZBQOSA-N 2 0 358.446 0.812 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001088201190 1258723780 /nfs/dbraw/zinc/72/37/80/1258723780.db2.gz PORUGLPEKRBSPF-MSOLQXFVSA-N 2 0 362.518 0.875 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210691 1258732022 /nfs/dbraw/zinc/73/20/22/1258732022.db2.gz WOOWOQAOOKSYLL-MSOLQXFVSA-N 2 0 358.486 0.888 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212608 1258735011 /nfs/dbraw/zinc/73/50/11/1258735011.db2.gz CKEYNQYZUBTZPI-RYRKJORJSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731522 1258802672 /nfs/dbraw/zinc/80/26/72/1258802672.db2.gz QVOIWXZQKAGKBF-QKLQHJQFSA-N 2 0 364.534 0.833 20 0 FCADRP CN1CCN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC001331450846 1266219027 /nfs/dbraw/zinc/21/90/27/1266219027.db2.gz NNLPSBVZKZSTBW-QGZVFWFLSA-N 2 0 360.506 0.223 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817001 1258854235 /nfs/dbraw/zinc/85/42/35/1258854235.db2.gz KGVOODIULRQYND-MGPQQGTHSA-N 2 0 356.430 0.439 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817200 1258854684 /nfs/dbraw/zinc/85/46/84/1258854684.db2.gz OSSPHNUKLFSBGW-CKEIUWERSA-N 2 0 370.457 0.829 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001100343663 1258908920 /nfs/dbraw/zinc/90/89/20/1258908920.db2.gz MAPDDGZNEDCQAW-XSCHDIRWSA-N 2 0 360.462 0.240 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105652557 1258921934 /nfs/dbraw/zinc/92/19/34/1258921934.db2.gz NGOXUKYRKZNINM-WWNBULGVSA-N 2 0 367.534 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001106626586 1258930886 /nfs/dbraw/zinc/93/08/86/1258930886.db2.gz HUGNWOCILYHDJT-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106664905 1258935886 /nfs/dbraw/zinc/93/58/86/1258935886.db2.gz CAMHHQMQZUUOHP-OWCLPIDISA-N 2 0 364.490 0.304 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106680687 1258940816 /nfs/dbraw/zinc/94/08/16/1258940816.db2.gz COWQHFYJMRYLQU-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106779183 1258961944 /nfs/dbraw/zinc/96/19/44/1258961944.db2.gz GROLEKPHCPOTAT-HUUCEWRRSA-N 2 0 362.478 0.441 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808313 1258967327 /nfs/dbraw/zinc/96/73/27/1258967327.db2.gz OHVBEHLDPRCAGB-IAGOWNOFSA-N 2 0 371.522 0.444 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106839196 1258974064 /nfs/dbraw/zinc/97/40/64/1258974064.db2.gz AIQZKOOCSSFZPD-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001106840512 1258974656 /nfs/dbraw/zinc/97/46/56/1258974656.db2.gz QPTZATMNFRUMKZ-HUUCEWRRSA-N 2 0 365.526 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001106881197 1258985999 /nfs/dbraw/zinc/98/59/99/1258985999.db2.gz YRRCUHNXCHSIEA-BZUAXINKSA-N 2 0 364.494 0.028 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881316 1258987221 /nfs/dbraw/zinc/98/72/21/1258987221.db2.gz BRODWNIXMOMMJM-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C)C(=O)N(C)C ZINC001106884699 1258987853 /nfs/dbraw/zinc/98/78/53/1258987853.db2.gz KHWXJANOZYDBBT-RBSFLKMASA-N 2 0 361.490 0.922 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898361 1258992317 /nfs/dbraw/zinc/99/23/17/1258992317.db2.gz FFHVDFORQHNCGI-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106899523 1258992944 /nfs/dbraw/zinc/99/29/44/1258992944.db2.gz FNEMTAJSLWSRFM-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106985954 1259011667 /nfs/dbraw/zinc/01/16/67/1259011667.db2.gz AKMWQIRRECJHCE-KZNAEPCWSA-N 2 0 371.522 0.302 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001107030499 1259020047 /nfs/dbraw/zinc/02/00/47/1259020047.db2.gz IZMDHMLCFRURAP-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCNC(=O)C1CC1)CC2 ZINC001107329403 1259055189 /nfs/dbraw/zinc/05/51/89/1259055189.db2.gz SSYNXAMGLSJVFG-MBOZVWFJSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107444372 1259091330 /nfs/dbraw/zinc/09/13/30/1259091330.db2.gz DEWUMMJIBFBNMW-QIIPPGSGSA-N 2 0 367.494 0.128 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)cn1 ZINC001107609340 1259132367 /nfs/dbraw/zinc/13/23/67/1259132367.db2.gz OCHPMAYKLWHWJE-IEBWSBKVSA-N 2 0 363.506 0.859 20 0 FCADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107609445 1259132707 /nfs/dbraw/zinc/13/27/07/1259132707.db2.gz SHSNMNYPYVLVDK-SJLPKXTDSA-N 2 0 364.494 0.217 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001127570977 1259180203 /nfs/dbraw/zinc/18/02/03/1259180203.db2.gz IVNGKVDVGJVVQL-AEFFLSMTSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC001127643873 1259183561 /nfs/dbraw/zinc/18/35/61/1259183561.db2.gz PHWRCQFIPMOUOW-GDBMZVCRSA-N 2 0 364.465 0.830 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659764 1259183863 /nfs/dbraw/zinc/18/38/63/1259183863.db2.gz JUVLTEGZQBZUEP-CKEIUWERSA-N 2 0 364.465 0.876 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003806 1259286294 /nfs/dbraw/zinc/28/62/94/1259286294.db2.gz HXIRAKXPYPMSIY-VQHPVUNQSA-N 2 0 364.494 0.386 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084035 1259306883 /nfs/dbraw/zinc/30/68/83/1259306883.db2.gz AKLUZAJXAZIWPC-OAGGEKHMSA-N 2 0 366.510 0.511 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129089555 1259308759 /nfs/dbraw/zinc/30/87/59/1259308759.db2.gz KMRNQCQOFVRENB-OAGGEKHMSA-N 2 0 366.510 0.775 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220358 1259348095 /nfs/dbraw/zinc/34/80/95/1259348095.db2.gz WCTWTZHSEQGDID-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220481 1259348231 /nfs/dbraw/zinc/34/82/31/1259348231.db2.gz XHBGUZSWFHSRTK-UAGQMJEPSA-N 2 0 364.494 0.122 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129228186 1259349250 /nfs/dbraw/zinc/34/92/50/1259349250.db2.gz HPOBZWYRPKPABO-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228478 1259351433 /nfs/dbraw/zinc/35/14/33/1259351433.db2.gz URMLKWDUSCAYCF-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261694 1259357061 /nfs/dbraw/zinc/35/70/61/1259357061.db2.gz GIQDQTRXVNNKGP-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300753 1259369052 /nfs/dbraw/zinc/36/90/52/1259369052.db2.gz GGLJTWLQDIOKFB-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180610151 1259396207 /nfs/dbraw/zinc/39/62/07/1259396207.db2.gz DYIKCWZJZCBYIV-UHFFFAOYSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001200547580 1259416085 /nfs/dbraw/zinc/41/60/85/1259416085.db2.gz OVYKMBGDIPHLCJ-KBAYOESNSA-N 2 0 363.506 0.510 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cccn3)C2)CC[N@@H+]1C ZINC001200556410 1259418175 /nfs/dbraw/zinc/41/81/75/1259418175.db2.gz YDENVSGSKLCXND-OKZBNKHCSA-N 2 0 363.506 0.821 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001212295220 1259455276 /nfs/dbraw/zinc/45/52/76/1259455276.db2.gz BRRUFKRKXURQCX-DJIMGWMZSA-N 2 0 367.494 0.035 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293315 1259455645 /nfs/dbraw/zinc/45/56/45/1259455645.db2.gz FSRCRQCHPLDKCI-IPMKNSEASA-N 2 0 365.518 0.960 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)on1 ZINC001215536027 1259534834 /nfs/dbraw/zinc/53/48/34/1259534834.db2.gz DUCYYOVCLXEEND-VHDGCEQUSA-N 2 0 363.462 0.842 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215536101 1259535059 /nfs/dbraw/zinc/53/50/59/1259535059.db2.gz IKGLQCVCZADEII-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216222185 1259536937 /nfs/dbraw/zinc/53/69/37/1259536937.db2.gz VDLPEGBQTHYGSJ-QLFBSQMISA-N 2 0 362.478 0.582 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOCCNC(C)=O)CC[N@@H+]1C ZINC001234413167 1259560104 /nfs/dbraw/zinc/56/01/04/1259560104.db2.gz HDIYPVGLGZXUKT-OKZBNKHCSA-N 2 0 368.522 0.402 20 0 FCADRP c1nc2n(c1CN1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CC[NH2+]CC2 ZINC001235207192 1259569835 /nfs/dbraw/zinc/56/98/35/1259569835.db2.gz KVLYKUVBRXXDGD-UHFFFAOYSA-N 2 0 373.505 0.002 20 0 FCADRP COC(=O)[C@@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCN1 ZINC001235439972 1259572387 /nfs/dbraw/zinc/57/23/87/1259572387.db2.gz AXRVWBQMQQAZHP-INIZCTEOSA-N 2 0 358.446 0.143 20 0 FCADRP c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)onc1OCc1ccccc1 ZINC001235871202 1259582197 /nfs/dbraw/zinc/58/21/97/1259582197.db2.gz RSYNWGPWFOEJMO-UHFFFAOYSA-N 2 0 359.474 0.838 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1-n1cnc(C)c1 ZINC001235870744 1259582611 /nfs/dbraw/zinc/58/26/11/1259582611.db2.gz LMRVUWPHLJJNFN-UHFFFAOYSA-N 2 0 372.517 0.774 20 0 FCADRP Fc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1N1CCOCC1 ZINC001235874867 1259583746 /nfs/dbraw/zinc/58/37/46/1259583746.db2.gz VZIJKUQAZFQAPM-UHFFFAOYSA-N 2 0 365.497 0.247 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-c2cnccn2)cc1 ZINC001236310237 1259588736 /nfs/dbraw/zinc/58/87/36/1259588736.db2.gz VQIVMTYRWQFXKO-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP COCCN1C[C@@H]2C[N@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)C[C@@H]2C1=O ZINC001236889965 1259592695 /nfs/dbraw/zinc/59/26/95/1259592695.db2.gz VDCAJQRUKJIOAS-ICSRJNTNSA-N 2 0 372.513 0.975 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001237066647 1259595490 /nfs/dbraw/zinc/59/54/90/1259595490.db2.gz YXJAHLQVBZPFGW-UYAOXDASSA-N 2 0 358.486 0.823 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH2+]CCC23CCOCC3)CC1(C)C ZINC001335302130 1259596127 /nfs/dbraw/zinc/59/61/27/1259596127.db2.gz UKXYQUNDDXZYFW-UHFFFAOYSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333767 1259610043 /nfs/dbraw/zinc/61/00/43/1259610043.db2.gz NOXDXHOLCALAOH-DLBZAZTESA-N 2 0 368.522 0.801 20 0 FCADRP O[C@@H](C[NH2+]CC1(Cc2ccccn2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246006025 1259643167 /nfs/dbraw/zinc/64/31/67/1259643167.db2.gz LUQUCBGKUNXLIF-GOSISDBHSA-N 3 0 362.518 0.449 20 0 FCADRP C[C@](O)(CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCc1ccccc1 ZINC001245986055 1259643643 /nfs/dbraw/zinc/64/36/43/1259643643.db2.gz NZHZMCYOUOIHIR-HKUYNNGSSA-N 2 0 361.486 0.945 20 0 FCADRP O[C@H](C[NH2+]C1(Cc2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000296 1259643912 /nfs/dbraw/zinc/64/39/12/1259643912.db2.gz YZIAYSWUYBNVTD-KRWDZBQOSA-N 3 0 365.493 0.946 20 0 FCADRP COC(=O)[C@@H](N)C1CC[NH+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246049974 1259644925 /nfs/dbraw/zinc/64/49/25/1259644925.db2.gz UJADGHZKKKVLMR-BBWFWOEESA-N 2 0 371.428 0.408 20 0 FCADRP O[C@H](CN1CCC2(CC1)[NH2+]CCc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246062134 1259646087 /nfs/dbraw/zinc/64/60/87/1259646087.db2.gz BXMZKLLSYLTIDL-SFHVURJKSA-N 3 0 359.514 0.989 20 0 FCADRP O[C@@H](C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246029981 1259646226 /nfs/dbraw/zinc/64/62/26/1259646226.db2.gz XBNPAAXCFWKSJH-GOSISDBHSA-N 3 0 359.514 0.989 20 0 FCADRP COc1ccc(COC[C@H](O)C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335400329 1259646432 /nfs/dbraw/zinc/64/64/32/1259646432.db2.gz PWOMAKJGEIOJJM-SJLPKXTDSA-N 2 0 351.491 0.798 20 0 FCADRP Fc1cccc(-c2nnn3c2CO[C@H](C[NH2+][C@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246154278 1259648043 /nfs/dbraw/zinc/64/80/43/1259648043.db2.gz AZERDFVFEUWPHZ-JKSUJKDBSA-N 2 0 372.448 0.667 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CC[NH2+]1 ZINC001246157491 1259649344 /nfs/dbraw/zinc/64/93/44/1259649344.db2.gz OUTYXILFMWQTPT-QRQLOZEOSA-N 2 0 374.529 0.768 20 0 FCADRP c1ccc(-c2nnn3c2CO[C@@H](C[NH2+][C@@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246157573 1259649989 /nfs/dbraw/zinc/64/99/89/1259649989.db2.gz PVIPNAXGGMZCGL-CVEARBPZSA-N 2 0 354.458 0.528 20 0 FCADRP c1ccc(-c2nnn3c2CO[C@@H](C[NH2+][C@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246157574 1259650222 /nfs/dbraw/zinc/65/02/22/1259650222.db2.gz PVIPNAXGGMZCGL-HOTGVXAUSA-N 2 0 354.458 0.528 20 0 FCADRP N[C@H](CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246485473 1259655123 /nfs/dbraw/zinc/65/51/23/1259655123.db2.gz LWLMPXRSJBWKGD-QZTJIDSGSA-N 2 0 360.502 0.911 20 0 FCADRP COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246585102 1259656841 /nfs/dbraw/zinc/65/68/41/1259656841.db2.gz OGWVKUMTICDRSA-UXLLHSPISA-N 2 0 363.458 0.446 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)C[C@H](C1)[NH2+]2 ZINC001246668266 1259659393 /nfs/dbraw/zinc/65/93/93/1259659393.db2.gz MYBSQZKCMRBTKO-SANTULGFSA-N 2 0 367.490 0.140 20 0 FCADRP O=C([C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693995 1259660910 /nfs/dbraw/zinc/66/09/10/1259660910.db2.gz KITIALFLEGVKHU-SJORKVTESA-N 2 0 360.502 0.207 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246692947 1259662878 /nfs/dbraw/zinc/66/28/78/1259662878.db2.gz XAMQZEZNCCATHA-ZDUSSCGKSA-N 2 0 355.446 0.211 20 0 FCADRP Cn1cccc1C(=O)N[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@@H]21 ZINC001246713275 1259665829 /nfs/dbraw/zinc/66/58/29/1259665829.db2.gz DYWUFHZICNDBAK-LISAXSMJSA-N 2 0 373.501 0.081 20 0 FCADRP c1cncc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709148 1259666355 /nfs/dbraw/zinc/66/63/55/1259666355.db2.gz SDVYSRVBGUIOGA-XLIONFOSSA-N 2 0 357.502 0.847 20 0 FCADRP O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711749 1259666726 /nfs/dbraw/zinc/66/67/26/1259666726.db2.gz WYFGJFAWRHXFAP-HOTGVXAUSA-N 2 0 358.490 0.031 20 0 FCADRP CC(C)CN1CCN(C)C2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1=O ZINC001246715375 1259667623 /nfs/dbraw/zinc/66/76/23/1259667623.db2.gz QQJNRUVSSQIPBZ-QGZVFWFLSA-N 2 0 363.550 0.345 20 0 FCADRP CN(Cc1cccnc1)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246720801 1259669008 /nfs/dbraw/zinc/66/90/08/1259669008.db2.gz GANWJHVSRMNTFR-NMLBUPMWSA-N 2 0 371.529 0.839 20 0 FCADRP c1cnc(N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246724117 1259670448 /nfs/dbraw/zinc/67/04/48/1259670448.db2.gz VTCZRZISBIDTLO-YVSFHVDLSA-N 2 0 358.490 0.002 20 0 FCADRP O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246728968 1259670860 /nfs/dbraw/zinc/67/08/60/1259670860.db2.gz VNQZYOAWKBFUDC-BSDSXHPESA-N 2 0 362.518 0.476 20 0 FCADRP CCN1CCn2c(C)cnc2C12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246727357 1259671328 /nfs/dbraw/zinc/67/13/28/1259671328.db2.gz PSQARHAWNSVYPR-KRWDZBQOSA-N 2 0 358.534 0.912 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246729868 1259671440 /nfs/dbraw/zinc/67/14/40/1259671440.db2.gz PWTLUTDLGKNUBY-ZIAGYGMSSA-N 2 0 358.490 0.420 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740565 1259675549 /nfs/dbraw/zinc/67/55/49/1259675549.db2.gz MTPOFOZSARAIMT-NBZXXOOGSA-N 2 0 359.474 0.684 20 0 FCADRP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744825 1259676379 /nfs/dbraw/zinc/67/63/79/1259676379.db2.gz LTVVCOONFRCBAF-TVKQPGBESA-N 2 0 372.517 0.976 20 0 FCADRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744469 1259677937 /nfs/dbraw/zinc/67/79/37/1259677937.db2.gz MWKSYHJKNWEQSM-QGZVFWFLSA-N 3 0 358.534 0.821 20 0 FCADRP O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753732 1259679524 /nfs/dbraw/zinc/67/95/24/1259679524.db2.gz CNRYYCJDKWCYOT-UYAOXDASSA-N 2 0 369.513 0.990 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765213 1259684342 /nfs/dbraw/zinc/68/43/42/1259684342.db2.gz INISOKNCESDHCA-AAEZLKGMSA-N 2 0 359.474 0.684 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246855966 1259693811 /nfs/dbraw/zinc/69/38/11/1259693811.db2.gz CYBLXWLZRLFMDY-TVRAHDOYSA-N 2 0 365.474 0.001 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CC[NH+](Cc2ccncc2)CC1 ZINC001246923736 1259694889 /nfs/dbraw/zinc/69/48/89/1259694889.db2.gz FWYQAIVLOIJGQM-UHFFFAOYSA-N 3 0 362.522 0.162 20 0 FCADRP CC1(C)COC2(CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC2)OC1 ZINC001246924709 1259695653 /nfs/dbraw/zinc/69/56/53/1259695653.db2.gz IXEUUSUCHDOSMV-UHFFFAOYSA-N 3 0 370.538 0.814 20 0 FCADRP COCCOc1ccccc1N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247003962 1259696670 /nfs/dbraw/zinc/69/66/70/1259696670.db2.gz NGSFGNLCFSPUTR-QGZVFWFLSA-N 2 0 360.502 0.928 20 0 FCADRP O=C1NC[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C12CC[NH2+]CC2 ZINC001247656470 1259704660 /nfs/dbraw/zinc/70/46/60/1259704660.db2.gz FWQVODGMZNBIOQ-GFCCVEGCSA-N 2 0 354.414 0.361 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4C[NH2+]C[C@H](O)C4)n3)c2)CC1 ZINC001247746261 1259705293 /nfs/dbraw/zinc/70/52/93/1259705293.db2.gz ALKQRLNCPKHDKI-IAGOWNOFSA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@]45C[NH2+]C[C@H]4C[NH2+]CC5)n3)c2)CC1 ZINC001247855940 1259707249 /nfs/dbraw/zinc/70/72/49/1259707249.db2.gz ZAOHDDJPCNUSBP-OXQOHEQNSA-N 3 0 368.485 0.939 20 0 FCADRP C[N@@H+]1C[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)OC2(CC[NH2+]CC2)C1 ZINC001247855102 1259707375 /nfs/dbraw/zinc/70/73/75/1259707375.db2.gz ATVKROHDXATRGZ-INIZCTEOSA-N 3 0 370.457 0.903 20 0 FCADRP COc1cc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)ccc1OC1COC1 ZINC001247854714 1259707534 /nfs/dbraw/zinc/70/75/34/1259707534.db2.gz AMRUUADSZWLIHQ-BFUOFWGJSA-N 2 0 372.425 0.973 20 0 FCADRP Cn1c(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cccc1=O ZINC001248805859 1259717186 /nfs/dbraw/zinc/71/71/86/1259717186.db2.gz LDRLTLHVVQHAAT-UHFFFAOYSA-N 2 0 356.470 0.709 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001335674764 1259779877 /nfs/dbraw/zinc/77/98/77/1259779877.db2.gz ZWMURTMOUXVOHU-OAHLLOKOSA-N 2 0 353.463 0.281 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637774 1259800823 /nfs/dbraw/zinc/80/08/23/1259800823.db2.gz UXDBIXHFUCXLGL-ZHALLVOQSA-N 2 0 368.474 0.826 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335718493 1259803287 /nfs/dbraw/zinc/80/32/87/1259803287.db2.gz ZSSIOJFSYSSNAB-MRXNPFEDSA-N 2 0 353.511 0.714 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184608 1259826760 /nfs/dbraw/zinc/82/67/60/1259826760.db2.gz HEQYGRDXUPKTKT-LPHOPBHVSA-N 2 0 368.522 0.092 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001253185719 1259827906 /nfs/dbraw/zinc/82/79/06/1259827906.db2.gz SWMHJWDIMMQXCI-FCGDIQPGSA-N 2 0 367.534 0.942 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790557 1259841133 /nfs/dbraw/zinc/84/11/33/1259841133.db2.gz KKBXPWBURGMCBK-KRWDZBQOSA-N 2 0 362.478 0.398 20 0 FCADRP C[N@H+](CCO)CCC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915138 1259864772 /nfs/dbraw/zinc/86/47/72/1259864772.db2.gz KDFMNZXZQOCSMS-SJORKVTESA-N 2 0 369.416 0.410 20 0 FCADRP NC(=O)C1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001254047437 1259868482 /nfs/dbraw/zinc/86/84/82/1259868482.db2.gz QFOOYJIFDOZXRX-UHFFFAOYSA-N 2 0 361.486 0.885 20 0 FCADRP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524244 1259889305 /nfs/dbraw/zinc/88/93/05/1259889305.db2.gz VPEYNPGPWYGZAK-QBPKDAKJSA-N 2 0 361.490 0.866 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523397 1259890660 /nfs/dbraw/zinc/89/06/60/1259890660.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 2 0 366.550 0.973 20 0 FCADRP Cn1ccnc1C(=O)N[C@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523723 1259890822 /nfs/dbraw/zinc/89/08/22/1259890822.db2.gz VPEYNPGPWYGZAK-MWDXBVQZSA-N 2 0 361.490 0.866 20 0 FCADRP C[N@@H+]1CC[C@H](N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426355 1259911715 /nfs/dbraw/zinc/91/17/15/1259911715.db2.gz COMBLCDGRLAJNL-QILLFSRXSA-N 2 0 365.453 0.521 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001335986074 1259931561 /nfs/dbraw/zinc/93/15/61/1259931561.db2.gz IYVFGYKBCBSJBF-CQSZACIVSA-N 2 0 354.447 0.490 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001336035026 1259953322 /nfs/dbraw/zinc/95/33/22/1259953322.db2.gz MNUOBZPXQHEPLB-HKUYNNGSSA-N 2 0 365.522 0.321 20 0 FCADRP C(CN1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1)N1CCOCC1 ZINC001256694657 1259957530 /nfs/dbraw/zinc/95/75/30/1259957530.db2.gz BZPSSMRVUMODTQ-UHFFFAOYSA-N 2 0 366.550 0.580 20 0 FCADRP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336057313 1259959813 /nfs/dbraw/zinc/95/98/13/1259959813.db2.gz XSBSHJMJUPZTRW-TVFCKZIOSA-N 2 0 360.502 0.433 20 0 FCADRP CCC1(CNC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC001257569950 1260020955 /nfs/dbraw/zinc/02/09/55/1260020955.db2.gz WHVIZYUHYSYOPN-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC001336174624 1260024983 /nfs/dbraw/zinc/02/49/83/1260024983.db2.gz FJTAEHATQXNFEO-JKSUJKDBSA-N 2 0 368.522 0.632 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001331891265 1266302421 /nfs/dbraw/zinc/30/24/21/1266302421.db2.gz YGNFILPYUALQKB-IAGOWNOFSA-N 2 0 366.506 0.698 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336256669 1260059519 /nfs/dbraw/zinc/05/95/19/1260059519.db2.gz RBLNJAOXMUEVEB-FGTMMUONSA-N 2 0 371.485 0.559 20 0 FCADRP OCC1([NH2+]Cc2ccccc2C[NH2+]C2(CO)CCOCC2)CCOCC1 ZINC001336415215 1260119089 /nfs/dbraw/zinc/11/90/89/1260119089.db2.gz ZFHQFNVGEYCRTI-UHFFFAOYSA-N 2 0 364.486 0.949 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001261381234 1260129544 /nfs/dbraw/zinc/12/95/44/1260129544.db2.gz DGLRCQYUIUTNDR-UHFFFAOYSA-N 2 0 361.490 0.170 20 0 FCADRP COCC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001261493013 1260149743 /nfs/dbraw/zinc/14/97/43/1260149743.db2.gz GMTVIJQKBNJZGE-CVEARBPZSA-N 2 0 366.506 0.109 20 0 FCADRP O=C(C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC001261492897 1260150003 /nfs/dbraw/zinc/15/00/03/1260150003.db2.gz ZMLVWBLGMRYNHG-UHFFFAOYSA-N 2 0 362.449 0.586 20 0 FCADRP CONC(=O)C1CC[NH+](CCCC[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001262020897 1260246901 /nfs/dbraw/zinc/24/69/01/1260246901.db2.gz OPUOIXBIHPIBNV-UHFFFAOYSA-N 2 0 370.494 0.546 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)C1 ZINC001262035572 1260248917 /nfs/dbraw/zinc/24/89/17/1260248917.db2.gz NVDMOMHQOFYDBT-RCCFBDPRSA-N 2 0 373.501 0.850 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC001262060526 1260252588 /nfs/dbraw/zinc/25/25/88/1260252588.db2.gz CKUYAMSDKALJEF-QZTJIDSGSA-N 2 0 374.485 0.080 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001262063962 1260253639 /nfs/dbraw/zinc/25/36/39/1260253639.db2.gz NQZFHSKTISUGRX-NCOADZHNSA-N 2 0 366.506 0.202 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001336978190 1260273910 /nfs/dbraw/zinc/27/39/10/1260273910.db2.gz QVSBZOULOCHINB-KRWDZBQOSA-N 2 0 367.515 0.572 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001337052303 1260296251 /nfs/dbraw/zinc/29/62/51/1260296251.db2.gz IXANJOTZAOOTBW-LSDHHAIUSA-N 2 0 364.494 0.421 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337078527 1260303006 /nfs/dbraw/zinc/30/30/06/1260303006.db2.gz YWYYEXFABWRZJS-DLBZAZTESA-N 2 0 354.539 0.923 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001337077872 1260303344 /nfs/dbraw/zinc/30/33/44/1260303344.db2.gz MICVNEYAEARSHJ-DLBZAZTESA-N 2 0 350.507 0.289 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084053 1260304782 /nfs/dbraw/zinc/30/47/82/1260304782.db2.gz GPVRYQUPVXEAKL-ZWKOTPCHSA-N 2 0 352.523 0.630 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001262599118 1260331262 /nfs/dbraw/zinc/33/12/62/1260331262.db2.gz PFGZUXOHSSNPOF-IEBWSBKVSA-N 2 0 373.501 0.807 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001264504130 1260377305 /nfs/dbraw/zinc/37/73/05/1260377305.db2.gz RLLQCYUMWJVRLR-ZWKOTPCHSA-N 2 0 363.506 0.563 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)[C@@H](C)C1 ZINC001337387442 1260387042 /nfs/dbraw/zinc/38/70/42/1260387042.db2.gz NJWMSJOLPTYSFX-JJXSEGSLSA-N 2 0 354.495 0.188 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001337440502 1260402371 /nfs/dbraw/zinc/40/23/71/1260402371.db2.gz GQGFEUQPWKTCKP-MRXNPFEDSA-N 2 0 359.474 0.004 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001272745960 1260497416 /nfs/dbraw/zinc/49/74/16/1260497416.db2.gz UXGBBYBTTBZBTH-IRXDYDNUSA-N 2 0 360.502 0.768 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001338200039 1260584220 /nfs/dbraw/zinc/58/42/20/1260584220.db2.gz UGDPUCZBXOBZAZ-UHFFFAOYSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCCC3)C[C@@H]21 ZINC001273141773 1260606121 /nfs/dbraw/zinc/60/61/21/1260606121.db2.gz SWVKENURBNLUGQ-QYZOEREBSA-N 2 0 364.534 0.867 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273257323 1260639212 /nfs/dbraw/zinc/63/92/12/1260639212.db2.gz ZPWFQKUEYPUCTH-AZUAARDMSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001273272238 1260643797 /nfs/dbraw/zinc/64/37/97/1260643797.db2.gz FSMMCSGFVXBRNI-RDJZCZTQSA-N 2 0 362.518 0.729 20 0 FCADRP COc1cc(CN2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(O)c1OC ZINC001278749925 1260724713 /nfs/dbraw/zinc/72/47/13/1260724713.db2.gz RSBFKZBGDVZTEO-QAPCUYQASA-N 2 0 365.474 0.856 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc(C(C)(C)O)nc4)CC3)[C@H]2C1 ZINC001278920634 1260759483 /nfs/dbraw/zinc/75/94/83/1260759483.db2.gz QZIPZEPGJDXRHC-HOTGVXAUSA-N 2 0 358.486 0.951 20 0 FCADRP CN(CCOCCNC(=O)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001332227652 1266360874 /nfs/dbraw/zinc/36/08/74/1266360874.db2.gz UGBMVJVAQRVFOB-UHFFFAOYSA-N 2 0 368.522 0.261 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@@H]2C1 ZINC001279162833 1260795481 /nfs/dbraw/zinc/79/54/81/1260795481.db2.gz CRAHUOPJFQPFKA-IAGOWNOFSA-N 2 0 362.474 0.648 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001279256868 1260813466 /nfs/dbraw/zinc/81/34/66/1260813466.db2.gz LSZHPJFNUKTCFK-OAHLLOKOSA-N 2 0 360.502 0.675 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001279257715 1260814326 /nfs/dbraw/zinc/81/43/26/1260814326.db2.gz WOHBGQFCAHAULY-ZRGWGRIASA-N 2 0 360.502 0.673 20 0 FCADRP Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCN(C)C)C[C@H]23)[nH]1 ZINC001279289878 1260824129 /nfs/dbraw/zinc/82/41/29/1260824129.db2.gz DYGRKCJAFSVURV-QZTJIDSGSA-N 2 0 359.518 0.897 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@H]2C1 ZINC001279309950 1260834993 /nfs/dbraw/zinc/83/49/93/1260834993.db2.gz QCMMBDWFJCCUTK-IRXDYDNUSA-N 2 0 362.474 0.648 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2ncccc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001279559379 1260892705 /nfs/dbraw/zinc/89/27/05/1260892705.db2.gz QCJCUCFPGGKZSN-LJQANCHMSA-N 2 0 361.490 0.505 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618201 1260900559 /nfs/dbraw/zinc/90/05/59/1260900559.db2.gz UIHFRJJQXYMIEE-YRXWBPOGSA-N 2 0 363.502 0.809 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4OCCO)CC3)[C@@H]2C1 ZINC001279701408 1260917896 /nfs/dbraw/zinc/91/78/96/1260917896.db2.gz WYRTVUGMDRPDTQ-IAGOWNOFSA-N 2 0 359.470 0.700 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2COCCC23C[NH+](C[C@H]2CCOC2)C3)CC1 ZINC001279895349 1260954625 /nfs/dbraw/zinc/95/46/25/1260954625.db2.gz ZHIAYTRAANAVEK-SJLPKXTDSA-N 2 0 365.518 0.914 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279928220 1260967535 /nfs/dbraw/zinc/96/75/35/1260967535.db2.gz FYFXLLCYPHYIFR-AWEZNQCLSA-N 2 0 361.446 0.229 20 0 FCADRP C[NH+]1CCC(N2C[C@@H]3COC[C@H](C2)N3C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1 ZINC001280070290 1260989518 /nfs/dbraw/zinc/98/95/18/1260989518.db2.gz QQLXTPVPJCPBTM-OTWHNJEPSA-N 2 0 362.518 0.477 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280073201 1260990522 /nfs/dbraw/zinc/99/05/22/1260990522.db2.gz ZNLCAXFDOXAYDA-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP COCOCCC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280090804 1260997750 /nfs/dbraw/zinc/99/77/50/1260997750.db2.gz ZXXWZZMHLIVSEZ-QGZVFWFLSA-N 2 0 369.506 0.546 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@H]3C(=O)NCCn3ccnn3)CC2)CC1 ZINC001280126659 1261012139 /nfs/dbraw/zinc/01/21/39/1261012139.db2.gz XZKXPZIXZVBZSS-KRWDZBQOSA-N 2 0 360.506 0.838 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)CC1 ZINC001280135593 1261013730 /nfs/dbraw/zinc/01/37/30/1261013730.db2.gz OLQRQDSNCFTTKA-DLBZAZTESA-N 3 0 363.506 0.225 20 0 FCADRP O=C(NCCn1ccnn1)c1cc2c([nH]1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001280138210 1261014779 /nfs/dbraw/zinc/01/47/79/1261014779.db2.gz VVBRIPDNCIHIRD-UHFFFAOYSA-N 2 0 357.462 0.394 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201369 1261030801 /nfs/dbraw/zinc/03/08/01/1261030801.db2.gz PTFSCXONTHIBQC-HQRMLTQVSA-N 2 0 365.518 0.793 20 0 FCADRP Cn1nnnc1NC(=O)[C@@H]1CCC[C@]12CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255145 1261042205 /nfs/dbraw/zinc/04/22/05/1261042205.db2.gz FBGXTBCERNQJGV-RLFYNMQTSA-N 2 0 361.494 0.983 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280254822 1261042355 /nfs/dbraw/zinc/04/23/55/1261042355.db2.gz AQLPYZCVTIQUSG-OXQOHEQNSA-N 2 0 364.509 0.905 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CCC3(C[C@H]3C(=O)Nc3nnnn3C)CC2)CC1 ZINC001280248262 1261042368 /nfs/dbraw/zinc/04/23/68/1261042368.db2.gz HNWGMBOQRMCBAZ-HNNXBMFYSA-N 2 0 361.494 0.983 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280249205 1261042447 /nfs/dbraw/zinc/04/24/47/1261042447.db2.gz AXNNLVHISXALIB-QRVBRYPASA-N 2 0 365.518 0.960 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001280272904 1261045697 /nfs/dbraw/zinc/04/56/97/1261045697.db2.gz QTEQZCDMUCTEEW-XLIONFOSSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001332461031 1266410178 /nfs/dbraw/zinc/41/01/78/1266410178.db2.gz AZSVZCFXOGKJDJ-OAHLLOKOSA-N 2 0 359.474 0.625 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472504469 1261471984 /nfs/dbraw/zinc/47/19/84/1261471984.db2.gz DSHQAVNDDUKTGA-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP Cc1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)ccc1N1CC[NH+](C)CC1 ZINC001332499504 1266418036 /nfs/dbraw/zinc/41/80/36/1266418036.db2.gz JYKXVFXQEOUGTO-QGZVFWFLSA-N 2 0 373.501 0.944 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001345117013 1261637598 /nfs/dbraw/zinc/63/75/98/1261637598.db2.gz YFQVUOFTROMLKS-OAHLLOKOSA-N 2 0 361.490 0.800 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001580290529 1278096385 /nfs/dbraw/zinc/09/63/85/1278096385.db2.gz JUKNZXJMWUPZOP-NWDGAFQWSA-N 2 0 367.417 0.059 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580321765 1278123344 /nfs/dbraw/zinc/12/33/44/1278123344.db2.gz IAWJTPOBMKWDER-FRFSOERESA-N 2 0 369.473 0.755 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+](CCC)C2)C[C@H]1O ZINC001289146532 1262127427 /nfs/dbraw/zinc/12/74/27/1262127427.db2.gz UQSZRMZTBBDOLU-GVDBMIGSSA-N 2 0 368.522 0.138 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859044 1262358919 /nfs/dbraw/zinc/35/89/19/1262358919.db2.gz KMXJEEVMBQSBDL-BRWVUGGUSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001580341158 1278138279 /nfs/dbraw/zinc/13/82/79/1278138279.db2.gz SNDZCHMCUJDCSC-XOKHGSTOSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580345050 1278139897 /nfs/dbraw/zinc/13/98/97/1278139897.db2.gz FOXFZJJLLHCKOL-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290873474 1262525335 /nfs/dbraw/zinc/52/53/35/1262525335.db2.gz FFNLAOCZQQHOPX-SFHVURJKSA-N 2 0 362.522 0.965 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001312055407 1263270571 /nfs/dbraw/zinc/27/05/71/1263270571.db2.gz PMWIOFQNDXUNDJ-JENIJYKNSA-N 2 0 368.522 0.776 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001479670571 1263330572 /nfs/dbraw/zinc/33/05/72/1263330572.db2.gz YDOPISQJTOCKSL-SOLBZPMBSA-N 2 0 352.523 0.831 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21)[NH+](C)C ZINC001494476456 1263771238 /nfs/dbraw/zinc/77/12/38/1263771238.db2.gz SRKHRRZRLRADGK-FFRIZKCHSA-N 2 0 350.507 0.486 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001321526630 1263983795 /nfs/dbraw/zinc/98/37/95/1263983795.db2.gz ZZRWQEXGXVQVEJ-IRXDYDNUSA-N 2 0 367.538 0.119 20 0 FCADRP CCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001499060193 1264001905 /nfs/dbraw/zinc/00/19/05/1264001905.db2.gz ISYQUQLAYOSRPV-LPHOPBHVSA-N 2 0 362.522 0.972 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001322592091 1264225270 /nfs/dbraw/zinc/22/52/70/1264225270.db2.gz SCTNFKOIQCYCGQ-INIZCTEOSA-N 2 0 373.501 0.872 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001322598952 1264227735 /nfs/dbraw/zinc/22/77/35/1264227735.db2.gz WGDLITDUYNYUEI-IRXDYDNUSA-N 2 0 366.506 0.299 20 0 FCADRP COCC1=CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC001322993747 1264311493 /nfs/dbraw/zinc/31/14/93/1264311493.db2.gz OGUQFVARHLAJAT-MRXNPFEDSA-N 2 0 364.490 0.076 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580401944 1278231178 /nfs/dbraw/zinc/23/11/78/1278231178.db2.gz DLZHHHSUPYWHNQ-XJKCOSOUSA-N 2 0 357.462 0.801 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC001323382569 1264416190 /nfs/dbraw/zinc/41/61/90/1264416190.db2.gz LLSDWGDFZCQZDA-UHFFFAOYSA-N 2 0 365.566 0.689 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC001324905630 1264732457 /nfs/dbraw/zinc/73/24/57/1264732457.db2.gz FZNMPKJOANRVBL-INIZCTEOSA-N 2 0 357.458 0.427 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580403727 1278236325 /nfs/dbraw/zinc/23/63/25/1278236325.db2.gz WGMXGFFCSYJMEH-LLVKDONJSA-N 2 0 361.475 0.618 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580404195 1278236932 /nfs/dbraw/zinc/23/69/32/1278236932.db2.gz WIIZFUIKMWHGDD-DGCLKSJQSA-N 2 0 361.425 0.552 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC001325665578 1264964523 /nfs/dbraw/zinc/96/45/23/1264964523.db2.gz FRGCDRSXYHYBPM-SFHVURJKSA-N 2 0 361.490 0.303 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001325728920 1264981470 /nfs/dbraw/zinc/98/14/70/1264981470.db2.gz KNQYDTBMRFEQNA-HNNXBMFYSA-N 2 0 361.490 0.169 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CCC[NH+](C)C ZINC001580406556 1278243669 /nfs/dbraw/zinc/24/36/69/1278243669.db2.gz OTUCPMIGUXMENV-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326048241 1265052437 /nfs/dbraw/zinc/05/24/37/1265052437.db2.gz XGULMILWHPDSSM-BFYDXBDKSA-N 2 0 362.478 0.561 20 0 FCADRP [NH3+]Cc1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccn1 ZINC001326051832 1265054118 /nfs/dbraw/zinc/05/41/18/1265054118.db2.gz HECPVYCMIWPRTQ-UHFFFAOYSA-N 2 0 373.501 0.995 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326278017 1265091772 /nfs/dbraw/zinc/09/17/72/1265091772.db2.gz POCVCQUPELDDJE-CABCVRRESA-N 2 0 361.490 0.297 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC001326627441 1265144989 /nfs/dbraw/zinc/14/49/89/1265144989.db2.gz PYBUOLCEYSVLIP-IAGOWNOFSA-N 2 0 361.490 0.707 20 0 FCADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC001326627442 1265146234 /nfs/dbraw/zinc/14/62/34/1265146234.db2.gz PYBUOLCEYSVLIP-IRXDYDNUSA-N 2 0 361.490 0.707 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C2)CC1 ZINC001326787391 1265165785 /nfs/dbraw/zinc/16/57/85/1265165785.db2.gz MIDBPKVNNCHAFH-UHFFFAOYSA-N 2 0 371.529 0.657 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001327324028 1265285853 /nfs/dbraw/zinc/28/58/53/1265285853.db2.gz LWKYMAROOCNKEG-XDNAFOTISA-N 2 0 367.538 0.550 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001327431831 1265318976 /nfs/dbraw/zinc/31/89/76/1265318976.db2.gz ZGFMTFJMLPFRTG-QGZVFWFLSA-N 2 0 373.501 0.896 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001327523421 1265350083 /nfs/dbraw/zinc/35/00/83/1265350083.db2.gz JQFOIZLDPWQGLK-QGZVFWFLSA-N 2 0 359.474 0.217 20 0 FCADRP OCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCC(O)(CO)CC3)cc2)CC1 ZINC001327583670 1265364730 /nfs/dbraw/zinc/36/47/30/1265364730.db2.gz RMWWGLUPRRRWCR-UHFFFAOYSA-N 2 0 364.486 0.325 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001332673679 1266459110 /nfs/dbraw/zinc/45/91/10/1266459110.db2.gz XXMNRTZHBKUHSA-WFXMLNOXSA-N 2 0 370.497 0.965 20 0 FCADRP CN(CCc1ccccc1)CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333197990 1266553640 /nfs/dbraw/zinc/55/36/40/1266553640.db2.gz LVMFSWSVIXDOLR-UHFFFAOYSA-N 2 0 354.458 0.999 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397695 1266591979 /nfs/dbraw/zinc/59/19/79/1266591979.db2.gz MMPMPISWAVRPMK-HZPDHXFCSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006133 1266774457 /nfs/dbraw/zinc/77/44/57/1266774457.db2.gz SNBAOXIKCLOLFB-YYIAUSFCSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H](NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001334211939 1266887843 /nfs/dbraw/zinc/88/78/43/1266887843.db2.gz BUCJZASWFMGYOO-HZPDHXFCSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001528433175 1266970387 /nfs/dbraw/zinc/97/03/87/1266970387.db2.gz DSGUPPANVKPFMZ-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001334480114 1267027611 /nfs/dbraw/zinc/02/76/11/1267027611.db2.gz YFUKQYWXSOTEDB-QGZVFWFLSA-N 2 0 362.526 0.374 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1 ZINC001335141178 1267359193 /nfs/dbraw/zinc/35/91/93/1267359193.db2.gz IBRCJQCCZHMHTM-CGQZWFTASA-N 2 0 374.485 0.706 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H]1c1ccc(F)cc1 ZINC001549030567 1267791830 /nfs/dbraw/zinc/79/18/30/1267791830.db2.gz ZTMBXHBAOXWGGP-HRCADAONSA-N 2 0 358.421 0.909 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])cn1 ZINC001549034822 1267793063 /nfs/dbraw/zinc/79/30/63/1267793063.db2.gz SHEJDBJTTZOJRA-WDSOQIARSA-N 2 0 368.485 0.980 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]2[NH3+])cn1 ZINC001549048438 1267795854 /nfs/dbraw/zinc/79/58/54/1267795854.db2.gz JPZQZRQDPRRVDU-MSOLQXFVSA-N 2 0 353.470 0.995 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001549125747 1267817424 /nfs/dbraw/zinc/81/74/24/1267817424.db2.gz PTGVHDIFRQMLML-MRHSLFKSSA-N 2 0 361.490 0.497 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001549295094 1267892959 /nfs/dbraw/zinc/89/29/59/1267892959.db2.gz NFIGSTXRNQZXSU-MRXNPFEDSA-N 2 0 362.478 0.433 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001338686917 1268042106 /nfs/dbraw/zinc/04/21/06/1268042106.db2.gz KHVAFEAQWNBGPP-RTBURBONSA-N 2 0 357.502 0.985 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2 ZINC001550067199 1268067427 /nfs/dbraw/zinc/06/74/27/1268067427.db2.gz AABVKBLNLUKXAP-UVWXRNBGSA-N 2 0 354.405 0.951 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@H]2[NH3+])cn1 ZINC001550067326 1268068223 /nfs/dbraw/zinc/06/82/23/1268068223.db2.gz OBDJVKLZNOQSKZ-ZIAGYGMSSA-N 2 0 360.487 0.911 20 0 FCADRP O=C(NC[C@H]1CC12CC[NH2+]CC2)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001550083538 1268070440 /nfs/dbraw/zinc/07/04/40/1268070440.db2.gz ZYPRQGWEGOBCDD-MNOVXSKESA-N 2 0 354.405 0.870 20 0 FCADRP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090082 1268071680 /nfs/dbraw/zinc/07/16/80/1268071680.db2.gz MVOOSQGABVJCOH-JKSUJKDBSA-N 2 0 362.478 0.433 20 0 FCADRP COc1ccc([C@H]2CN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)C[C@@H]2[NH3+])cc1 ZINC001550102987 1268074558 /nfs/dbraw/zinc/07/45/58/1268074558.db2.gz RDLMJVJQVWKSLL-SJORKVTESA-N 2 0 370.457 0.778 20 0 FCADRP COc1ccc([C@H]2CN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C[C@@H]2[NH3+])cc1 ZINC001550107388 1268075428 /nfs/dbraw/zinc/07/54/28/1268075428.db2.gz CSYCAAHQWAEELI-MSOLQXFVSA-N 2 0 369.469 0.924 20 0 FCADRP O=C(N[C@H]1C[NH2+]C[C@@H]1c1ccccc1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001550186842 1268089888 /nfs/dbraw/zinc/08/98/88/1268089888.db2.gz ISRPCFABKJHSDJ-MSOLQXFVSA-N 2 0 351.454 0.977 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC001550202110 1268090953 /nfs/dbraw/zinc/09/09/53/1268090953.db2.gz OZBWQRCFTZUOCV-PBHICJAKSA-N 2 0 356.430 0.608 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550204827 1268092322 /nfs/dbraw/zinc/09/23/22/1268092322.db2.gz SUOHPZPMGOBDSF-HOTGVXAUSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH+](C)C ZINC001550285324 1268103690 /nfs/dbraw/zinc/10/36/90/1268103690.db2.gz JUDQSRWIKPTQNP-VFGIFXOCSA-N 3 0 351.539 0.898 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC001550539942 1268129776 /nfs/dbraw/zinc/12/97/76/1268129776.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 2 0 352.523 0.343 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC001338983805 1268138931 /nfs/dbraw/zinc/13/89/31/1268138931.db2.gz SUNFFHJKDNCDOA-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]C[C@H]2F)C1 ZINC001550752740 1268162150 /nfs/dbraw/zinc/16/21/50/1268162150.db2.gz VRBABNAVJMSNEF-ZACQAIPSSA-N 2 0 350.438 0.805 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550754469 1268163057 /nfs/dbraw/zinc/16/30/57/1268163057.db2.gz KLVMEMRCCHKNGM-BHYGNILZSA-N 2 0 359.474 0.963 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC12CCOCC2 ZINC001550754256 1268163074 /nfs/dbraw/zinc/16/30/74/1268163074.db2.gz JOZOLZDPJXQNLY-HUUCEWRRSA-N 2 0 352.479 0.294 20 0 FCADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[N@H+](C)C1 ZINC001550762515 1268164871 /nfs/dbraw/zinc/16/48/71/1268164871.db2.gz POSYPHWMEAIJQA-HRCADAONSA-N 2 0 354.495 0.506 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccccc1F ZINC001550911008 1268182752 /nfs/dbraw/zinc/18/27/52/1268182752.db2.gz CUJSTIDUQVLBFK-QFBILLFUSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@@H](C)[NH+]1CCO ZINC001550979696 1268187602 /nfs/dbraw/zinc/18/76/02/1268187602.db2.gz CLAMSNCWWRHSQK-INMHGKMJSA-N 2 0 354.495 0.336 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@@H]3C2)CC1 ZINC001551276658 1268221213 /nfs/dbraw/zinc/22/12/13/1268221213.db2.gz HHCSWKYPPZCZNM-ISXWCOSWSA-N 2 0 366.506 0.480 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001551463211 1268256993 /nfs/dbraw/zinc/25/69/93/1268256993.db2.gz FEJADWZRJWWXAO-HUUCEWRRSA-N 2 0 354.495 0.290 20 0 FCADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CC[NH2+]CCC12CCOCC2 ZINC001551461662 1268257032 /nfs/dbraw/zinc/25/70/32/1268257032.db2.gz PKBWFDWZHLDJFU-UHFFFAOYSA-N 2 0 365.503 0.537 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464165 1268257070 /nfs/dbraw/zinc/25/70/70/1268257070.db2.gz CADGOOJMOOGVLN-JKSUJKDBSA-N 2 0 354.495 0.555 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464158 1268257214 /nfs/dbraw/zinc/25/72/14/1268257214.db2.gz CADGOOJMOOGVLN-HOTGVXAUSA-N 2 0 354.495 0.555 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@@H+]2C[C@H](O)C[C@@H]2C1 ZINC001551468858 1268257920 /nfs/dbraw/zinc/25/79/20/1268257920.db2.gz UUBGDTZCKJHCTF-RTBURBONSA-N 2 0 373.501 0.052 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC001551469172 1268258350 /nfs/dbraw/zinc/25/83/50/1268258350.db2.gz WWMGUFKBASCDJG-MOPGFXCFSA-N 2 0 357.502 0.985 20 0 FCADRP [NH3+]CC1(c2ccccc2)CC(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC001551487455 1268260815 /nfs/dbraw/zinc/26/08/15/1268260815.db2.gz RDSRWTLAITUYLO-FDYSRKEFSA-N 2 0 357.502 0.735 20 0 FCADRP [NH3+][C@]1(CO)CCCN(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551492707 1268261338 /nfs/dbraw/zinc/26/13/38/1268261338.db2.gz XXBALGFAGFBPCX-LZQZEXGQSA-N 2 0 360.458 0.738 20 0 FCADRP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@@H+]2C[C@H](O)C[C@@H]2C1 ZINC001551489322 1268261414 /nfs/dbraw/zinc/26/14/14/1268261414.db2.gz BWQZYLLAZSXYMR-YVTWGWGSSA-N 2 0 372.469 0.703 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)CC[C@@H]21 ZINC001551556015 1268267725 /nfs/dbraw/zinc/26/77/25/1268267725.db2.gz QWRANLBMFDSEPN-CBZIJGRNSA-N 2 0 363.506 0.369 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551557717 1268268697 /nfs/dbraw/zinc/26/86/97/1268268697.db2.gz CTVWGIHMYAJPCX-QGPMSJSTSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556688 1268268868 /nfs/dbraw/zinc/26/88/68/1268268868.db2.gz SPBVEJUSTBPVMI-HLLBOEOZSA-N 2 0 351.495 0.465 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551557852 1268269925 /nfs/dbraw/zinc/26/99/25/1268269925.db2.gz XAFARQWOWFSCFU-BQFCYCMXSA-N 2 0 365.522 0.615 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551569023 1268273470 /nfs/dbraw/zinc/27/34/70/1268273470.db2.gz CSZJUGUBNIKTFE-SJLPKXTDSA-N 2 0 365.522 0.664 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551575729 1268275571 /nfs/dbraw/zinc/27/55/71/1268275571.db2.gz GVHNIQFEUTYJJH-MJGOQNOKSA-N 2 0 371.485 0.736 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001551578912 1268276579 /nfs/dbraw/zinc/27/65/79/1268276579.db2.gz NLXKUUNVHJSBNE-MKVSYHDVSA-N 2 0 351.495 0.321 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551582821 1268278593 /nfs/dbraw/zinc/27/85/93/1268278593.db2.gz UJFKNSVLNCPSLE-WMZOPIPTSA-N 2 0 365.522 0.664 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551588777 1268279831 /nfs/dbraw/zinc/27/98/31/1268279831.db2.gz GJJMOOTUWMVDGE-GMLZMKKNSA-N 2 0 363.506 0.415 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)C1 ZINC001551595377 1268281672 /nfs/dbraw/zinc/28/16/72/1268281672.db2.gz UBPWZYIDSDBQHS-ISXWCOSWSA-N 2 0 365.522 0.303 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC001551596288 1268281736 /nfs/dbraw/zinc/28/17/36/1268281736.db2.gz SJHDKJGERUDCIF-JJAZEVLHSA-N 2 0 351.495 0.225 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)C1 ZINC001551595392 1268282276 /nfs/dbraw/zinc/28/22/76/1268282276.db2.gz UBPWZYIDSDBQHS-VZDIDWBNSA-N 2 0 365.522 0.303 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC3CC4(C[C@@H]4[NH3+])C3)cn2)CC1 ZINC001551602020 1268282798 /nfs/dbraw/zinc/28/27/98/1268282798.db2.gz YLGKPMIFKZKWJW-WUJZJPHMSA-N 2 0 358.490 0.903 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551598298 1268283542 /nfs/dbraw/zinc/28/35/42/1268283542.db2.gz XDBZOYURQTXKIQ-WMZOPIPTSA-N 2 0 365.522 0.805 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001339767753 1268323066 /nfs/dbraw/zinc/32/30/66/1268323066.db2.gz JHYAHTDGGHPRGE-OAHLLOKOSA-N 2 0 353.463 0.146 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001552095465 1268371670 /nfs/dbraw/zinc/37/16/70/1268371670.db2.gz HIIJGEJXDPBHQM-ZACQAIPSSA-N 2 0 364.494 0.213 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)n1 ZINC001552111542 1268378033 /nfs/dbraw/zinc/37/80/33/1268378033.db2.gz RJWWNCVWAAGOCU-RRFJBIMHSA-N 2 0 350.467 0.554 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)nn1 ZINC001552164576 1268397091 /nfs/dbraw/zinc/39/70/91/1268397091.db2.gz XMTFQPMWQVMRDU-BBRMVZONSA-N 2 0 374.420 0.403 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC001552167470 1268400022 /nfs/dbraw/zinc/40/00/22/1268400022.db2.gz MUROSBFFFITUTQ-SNRMKQJTSA-N 2 0 374.533 0.316 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)cn1 ZINC001552173202 1268401792 /nfs/dbraw/zinc/40/17/92/1268401792.db2.gz DLGUCSSQHXDACU-ARFHVFGLSA-N 2 0 350.467 0.554 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nn1 ZINC001552179767 1268403774 /nfs/dbraw/zinc/40/37/74/1268403774.db2.gz PKTVATXRPSBNQB-ZMSDIMECSA-N 2 0 362.478 0.067 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552201426 1268408115 /nfs/dbraw/zinc/40/81/15/1268408115.db2.gz WABALHHKDBQEDA-AZUAARDMSA-N 2 0 358.486 0.286 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)ccc2oc1=O ZINC001552201470 1268408170 /nfs/dbraw/zinc/40/81/70/1268408170.db2.gz NZUAOTNXDIAAFR-KPZWWZAWSA-N 2 0 360.414 0.331 20 0 FCADRP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203357 1268409398 /nfs/dbraw/zinc/40/93/98/1268409398.db2.gz BAKMQMNZYFOORX-OXJNMPFZSA-N 2 0 373.501 0.819 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC001552214651 1268412448 /nfs/dbraw/zinc/41/24/48/1268412448.db2.gz XOVWODSBWUQPGX-OKZBNKHCSA-N 2 0 362.474 0.900 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC001552257183 1268423730 /nfs/dbraw/zinc/42/37/30/1268423730.db2.gz JJEAQMPQZITGGC-DDUZABMNSA-N 2 0 364.494 0.203 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)C[C@H](C)O1 ZINC001552283484 1268431929 /nfs/dbraw/zinc/43/19/29/1268431929.db2.gz STLBQZHIQPIIEJ-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283514 1268432088 /nfs/dbraw/zinc/43/20/88/1268432088.db2.gz SYIRBWDCJZXJSZ-HIRMHNASSA-N 2 0 351.491 0.570 20 0 FCADRP Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001340102710 1268435322 /nfs/dbraw/zinc/43/53/22/1268435322.db2.gz CSRKOJWTUAFPRV-INIZCTEOSA-N 2 0 361.538 0.841 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552297178 1268435617 /nfs/dbraw/zinc/43/56/17/1268435617.db2.gz LYHNPQDAIZVBMU-MJGOQNOKSA-N 2 0 358.486 0.912 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001340122009 1268443175 /nfs/dbraw/zinc/44/31/75/1268443175.db2.gz QLBDBFQDKDWRNA-MSOLQXFVSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC001552340803 1268444305 /nfs/dbraw/zinc/44/43/05/1268444305.db2.gz BWMYOWGZQZLABG-AWEZNQCLSA-N 2 0 351.520 0.999 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)CC1 ZINC001552600193 1268483945 /nfs/dbraw/zinc/48/39/45/1268483945.db2.gz VERNCPRPJBQBHP-IRXDYDNUSA-N 2 0 363.510 0.895 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC001552603826 1268487298 /nfs/dbraw/zinc/48/72/98/1268487298.db2.gz VNEAYMBVLDDSPE-BRWVUGGUSA-N 2 0 363.510 0.895 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001552611523 1268492434 /nfs/dbraw/zinc/49/24/34/1268492434.db2.gz HHCOUOSQSDDKID-GVDBMIGSSA-N 2 0 363.510 0.895 20 0 FCADRP [NH3+][C@H]1CCCC[C@@H]1n1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001552695576 1268523849 /nfs/dbraw/zinc/52/38/49/1268523849.db2.gz NXKCKDFWRMWHOL-RDJZCZTQSA-N 2 0 362.478 0.657 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552696673 1268524398 /nfs/dbraw/zinc/52/43/98/1268524398.db2.gz WQQKJIISOWGPMJ-NVXWUHKLSA-N 2 0 363.510 0.476 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001340384914 1268530271 /nfs/dbraw/zinc/53/02/71/1268530271.db2.gz ZRSWSFQBABZQAI-ZSZQSSIHSA-N 2 0 355.442 0.482 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C[C@@H]1n1ccnn1 ZINC001552850468 1268559275 /nfs/dbraw/zinc/55/92/75/1268559275.db2.gz DPCAHNNAJLMROU-JJXSEGSLSA-N 2 0 360.849 0.645 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC001340696070 1268625794 /nfs/dbraw/zinc/62/57/94/1268625794.db2.gz CKASHHWHHILBNX-INIZCTEOSA-N 2 0 362.474 0.058 20 0 FCADRP Cc1c(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359519 1268637926 /nfs/dbraw/zinc/63/79/26/1268637926.db2.gz LWRIZGIWGLQGBH-YWZLYKJASA-N 2 0 369.469 0.964 20 0 FCADRP CN(C)C(=O)COc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553389185 1268642171 /nfs/dbraw/zinc/64/21/71/1268642171.db2.gz KAUWLWXANCQDDE-AUUYWEPGSA-N 2 0 360.458 0.633 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@H]2C1 ZINC001553392561 1268642764 /nfs/dbraw/zinc/64/27/64/1268642764.db2.gz XYTLIKYKVORFKZ-JXFKEZNVSA-N 2 0 372.469 0.639 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)C[C@H](C)O1 ZINC001553430473 1268648406 /nfs/dbraw/zinc/64/84/06/1268648406.db2.gz MUIAENZGICEEDM-YFUQURRKSA-N 2 0 351.491 0.854 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)nc1 ZINC001553425814 1268648920 /nfs/dbraw/zinc/64/89/20/1268648920.db2.gz UMYSGUZVWQUTJH-ULQDDVLXSA-N 2 0 359.474 0.311 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553438959 1268650503 /nfs/dbraw/zinc/65/05/03/1268650503.db2.gz IMQWODSVQBOTQZ-VQIMIIECSA-N 2 0 358.490 0.775 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553448786 1268651142 /nfs/dbraw/zinc/65/11/42/1268651142.db2.gz KOXFZGBHESNHLT-HOTGVXAUSA-N 2 0 365.522 0.570 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449589 1268651553 /nfs/dbraw/zinc/65/15/53/1268651553.db2.gz GQSYJAHYZJJDMA-RDJZCZTQSA-N 3 0 365.522 0.304 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553448788 1268651850 /nfs/dbraw/zinc/65/18/50/1268651850.db2.gz KOXFZGBHESNHLT-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553454310 1268654532 /nfs/dbraw/zinc/65/45/32/1268654532.db2.gz JPMRRJODRUMJCS-NVXWUHKLSA-N 2 0 366.506 0.637 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553455503 1268654915 /nfs/dbraw/zinc/65/49/15/1268654915.db2.gz YLSKMSZJFMTXDO-KZNAEPCWSA-N 2 0 365.522 0.176 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553504075 1268659587 /nfs/dbraw/zinc/65/95/87/1268659587.db2.gz QTBPJBWNGOGYMN-RDBSUJKOSA-N 2 0 363.428 0.606 20 0 FCADRP Cn1nnc2c1C[C@@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC[NH2+]CC1)CC2 ZINC001553539097 1268666271 /nfs/dbraw/zinc/66/62/71/1268666271.db2.gz RSEDXRRVVZKULB-CWRNSKLLSA-N 2 0 373.505 0.283 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCCC[C@@H]3[C@@H]([NH3+])[C@H]32)CC1 ZINC001553555493 1268669661 /nfs/dbraw/zinc/66/96/61/1268669661.db2.gz IZNWZQSFYMGMTD-OAGGEKHMSA-N 2 0 363.506 0.724 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)cc2)[nH]1 ZINC001554035218 1268745268 /nfs/dbraw/zinc/74/52/68/1268745268.db2.gz GAGKKMCBTUULOS-LBPRGKRZSA-N 2 0 353.390 0.309 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)nn1 ZINC001554035520 1268745383 /nfs/dbraw/zinc/74/53/83/1268745383.db2.gz FKRFBLSVLPZKEN-HIFRSBDPSA-N 2 0 368.401 0.199 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)nn1 ZINC001554035751 1268745506 /nfs/dbraw/zinc/74/55/06/1268745506.db2.gz MHKYYQSMQJIDQD-GDBMZVCRSA-N 2 0 368.401 0.199 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341102551 1268785052 /nfs/dbraw/zinc/78/50/52/1268785052.db2.gz JSKIEWLITPPGQZ-CFVMTHIKSA-N 2 0 369.535 0.204 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001341685904 1269151171 /nfs/dbraw/zinc/15/11/71/1269151171.db2.gz ZQQIJBJOQPLRFC-DOTOQJQBSA-N 2 0 359.474 0.226 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001341718052 1269167240 /nfs/dbraw/zinc/16/72/40/1269167240.db2.gz ZIBVHSLDMFODSF-KRWDZBQOSA-N 2 0 352.454 0.863 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CSCC[NH2+]2)CC1=O ZINC001341897762 1269257421 /nfs/dbraw/zinc/25/74/21/1269257421.db2.gz NLYQQLKXAZQBCA-ARFHVFGLSA-N 2 0 368.547 0.531 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001566053355 1269586441 /nfs/dbraw/zinc/58/64/41/1269586441.db2.gz ZNGXWDRTVUFOJS-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@H]1OC ZINC001343015205 1269732041 /nfs/dbraw/zinc/73/20/41/1269732041.db2.gz SBHUMFWMLIXRJU-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001343492871 1269926738 /nfs/dbraw/zinc/92/67/38/1269926738.db2.gz WJPZAZLUWRFOOO-LJQANCHMSA-N 2 0 368.485 0.829 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C1([NH+](C)C)CCC1 ZINC001572539094 1270091396 /nfs/dbraw/zinc/09/13/96/1270091396.db2.gz BIRSFYNQQDLSRO-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001580612387 1278569243 /nfs/dbraw/zinc/56/92/43/1278569243.db2.gz YRZQUDNCFARZRG-RYRKJORJSA-N 2 0 352.479 0.138 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001580635366 1278596072 /nfs/dbraw/zinc/59/60/72/1278596072.db2.gz NLXGMUGCIDUZEG-WBVHZDCISA-N 2 0 353.413 0.984 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974649 1270967241 /nfs/dbraw/zinc/96/72/41/1270967241.db2.gz OMKIEUDKNAYZQF-CJNGLKHVSA-N 2 0 372.477 0.530 20 0 FCADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574020550 1270999368 /nfs/dbraw/zinc/99/93/68/1270999368.db2.gz DAOOUHGDACNCDE-HNNXBMFYSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574253557 1271123233 /nfs/dbraw/zinc/12/32/33/1271123233.db2.gz WDCQFOWFMRAAGA-ZDUSSCGKSA-N 2 0 358.450 0.427 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289054 1271165034 /nfs/dbraw/zinc/16/50/34/1271165034.db2.gz VHPAIHUBHIIYFO-DOMZBBRYSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595717 1271396440 /nfs/dbraw/zinc/39/64/40/1271396440.db2.gz FVVVGCCRYOPHEA-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598801 1271401267 /nfs/dbraw/zinc/40/12/67/1271401267.db2.gz SEEKDINBOBNVEJ-DOMZBBRYSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCC1 ZINC001574671106 1271472715 /nfs/dbraw/zinc/47/27/15/1271472715.db2.gz JQSIGBUKGSXEHI-CQSZACIVSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574781478 1271516758 /nfs/dbraw/zinc/51/67/58/1271516758.db2.gz KVMZCABIZYOVRQ-VXGBXAGGSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574805396 1271544502 /nfs/dbraw/zinc/54/45/02/1271544502.db2.gz RWBOHRCQOZLZMT-DOMZBBRYSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870928 1271621550 /nfs/dbraw/zinc/62/15/50/1271621550.db2.gz FHYKICNVBAWSLC-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877303 1271635423 /nfs/dbraw/zinc/63/54/23/1271635423.db2.gz QUKRLZYZGHUSRO-YPMHNXCESA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895994 1271656839 /nfs/dbraw/zinc/65/68/39/1271656839.db2.gz BESAWWYZLIXICE-VXGBXAGGSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896184 1271659330 /nfs/dbraw/zinc/65/93/30/1271659330.db2.gz BVXAPDGDLQKCSX-HIFRSBDPSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H](O)C2CC[NH2+]CC2)CC1 ZINC001575068397 1271705315 /nfs/dbraw/zinc/70/53/15/1271705315.db2.gz FGDRGTFLFDJIDK-MAUKXSAKSA-N 2 0 352.523 0.412 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575115957 1271728103 /nfs/dbraw/zinc/72/81/03/1271728103.db2.gz UAGTXRTWGWELCV-UKRRQHHQSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575380870 1272024416 /nfs/dbraw/zinc/02/44/16/1272024416.db2.gz XZZJLSQZCWMKLA-VXGBXAGGSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575403516 1272054620 /nfs/dbraw/zinc/05/46/20/1272054620.db2.gz WTGSZZZDWNNNSP-ZIAGYGMSSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001575439795 1272110175 /nfs/dbraw/zinc/11/01/75/1272110175.db2.gz QGOKOHLHGPVDTP-KBPBESRZSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CCc2cn[nH]n2)C1 ZINC001575566659 1272203645 /nfs/dbraw/zinc/20/36/45/1272203645.db2.gz LEVLMSKUBYQHLT-CVEARBPZSA-N 2 0 364.494 0.144 20 0 FCADRP C[C@@H]([NH2+]CCc1cn[nH]n1)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689951 1272302251 /nfs/dbraw/zinc/30/22/51/1272302251.db2.gz JLTHOIPGWWSGOV-PBHICJAKSA-N 2 0 364.494 0.285 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC2([NH3+])COC2)CC1 ZINC001575697255 1272313801 /nfs/dbraw/zinc/31/38/01/1272313801.db2.gz CTJUXVBMLRLCRE-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702728 1272327188 /nfs/dbraw/zinc/32/71/88/1272327188.db2.gz OYUOYPMVVMVSBF-DOTOQJQBSA-N 2 0 364.494 0.776 20 0 FCADRP C[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001575797306 1272447042 /nfs/dbraw/zinc/44/70/42/1272447042.db2.gz MGZYEWWUEUDHDV-SFHVURJKSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001580683262 1278706650 /nfs/dbraw/zinc/70/66/50/1278706650.db2.gz RMYODXDYXYVPQM-WIYYLYMNSA-N 2 0 372.513 0.941 20 0 FCADRP C[C@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001575914966 1272558934 /nfs/dbraw/zinc/55/89/34/1272558934.db2.gz NWBHTIDOUFORDI-IAGOWNOFSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001575920854 1272561187 /nfs/dbraw/zinc/56/11/87/1272561187.db2.gz BSYABKAPTFHEAE-DXCKQFNASA-N 2 0 360.458 0.922 20 0 FCADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC[NH+](C)C ZINC001576018931 1272719943 /nfs/dbraw/zinc/71/99/43/1272719943.db2.gz KKPRANXILJRASU-NEPJUHHUSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001576048254 1272777317 /nfs/dbraw/zinc/77/73/17/1272777317.db2.gz VECFWNPLPWQZLG-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN2C(=O)CC[C@H]2C1)[NH+](C)C ZINC001576070403 1272831759 /nfs/dbraw/zinc/83/17/59/1272831759.db2.gz JUZRFWZCYQGOAK-ILXRZTDVSA-N 2 0 361.494 0.464 20 0 FCADRP C[C@@H](Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN2C(=O)CC[C@H]2C1)[NH+](C)C ZINC001576070405 1272832811 /nfs/dbraw/zinc/83/28/11/1272832811.db2.gz JUZRFWZCYQGOAK-KKUMJFAQSA-N 2 0 361.494 0.464 20 0 FCADRP CC[C@H](C(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001576176524 1272976285 /nfs/dbraw/zinc/97/62/85/1272976285.db2.gz VZKIOXNHILNZPC-MRXNPFEDSA-N 2 0 352.483 0.584 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576247993 1273028033 /nfs/dbraw/zinc/02/80/33/1273028033.db2.gz RUVJJEYQAUPZMI-KBPBESRZSA-N 2 0 372.477 0.532 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576247420 1273029042 /nfs/dbraw/zinc/02/90/42/1273029042.db2.gz PGGDVALKDNIHMS-XJKSGUPXSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576485137 1273328989 /nfs/dbraw/zinc/32/89/89/1273328989.db2.gz YHNNMBKCQXGDLC-HOTGVXAUSA-N 2 0 372.477 0.673 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576486719 1273334332 /nfs/dbraw/zinc/33/43/32/1273334332.db2.gz ZRXOJCDZUUMKQP-HNNXBMFYSA-N 2 0 364.494 0.682 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498132 1273358523 /nfs/dbraw/zinc/35/85/23/1273358523.db2.gz JOJWDCRLBBXWEC-GOEBONIOSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001576508373 1273379389 /nfs/dbraw/zinc/37/93/89/1273379389.db2.gz IFLZERLVBFZZMB-KCPJHIHWSA-N 2 0 372.477 0.851 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576586494 1273465927 /nfs/dbraw/zinc/46/59/27/1273465927.db2.gz QSEMCCYJYPMCET-ZMSDIMECSA-N 2 0 364.494 0.142 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001576605953 1273475878 /nfs/dbraw/zinc/47/58/78/1273475878.db2.gz NUWLSWJKRRRHMX-BLNMRFBMSA-N 2 0 351.495 0.591 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715115 1273585619 /nfs/dbraw/zinc/58/56/19/1273585619.db2.gz SFFDZYRYDGYZMK-KFWWJZLASA-N 2 0 361.494 0.512 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748490 1273619265 /nfs/dbraw/zinc/61/92/65/1273619265.db2.gz XUBFTSPRQHBVFC-LISAXSMJSA-N 2 0 360.506 0.858 20 0 FCADRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576767256 1273645621 /nfs/dbraw/zinc/64/56/21/1273645621.db2.gz LUKJVBNCUQAWQN-BBRMVZONSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@H](C(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576776184 1273659647 /nfs/dbraw/zinc/65/96/47/1273659647.db2.gz HWHOXOPHUYWOBX-SWLSCSKDSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792449 1273693635 /nfs/dbraw/zinc/69/36/35/1273693635.db2.gz VFLQTVQNDLROBD-BBRMVZONSA-N 2 0 372.477 0.783 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)C[C@H](C)O1 ZINC001576801708 1273707714 /nfs/dbraw/zinc/70/77/14/1273707714.db2.gz UFEXDHVCOMCBIL-JTDSTZFVSA-N 2 0 353.507 0.887 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001576800565 1273708176 /nfs/dbraw/zinc/70/81/76/1273708176.db2.gz KGTCEUCOBPZLLR-CABCVRRESA-N 2 0 354.495 0.901 20 0 FCADRP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806597 1273715768 /nfs/dbraw/zinc/71/57/68/1273715768.db2.gz NWSQQGSRNCQNQZ-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP CN(CCC[NH2+]CCc1cn[nH]n1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001576809732 1273723449 /nfs/dbraw/zinc/72/34/49/1273723449.db2.gz KTRXKCRAINUSJJ-UHFFFAOYSA-N 2 0 352.483 0.144 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001576816439 1273735379 /nfs/dbraw/zinc/73/53/79/1273735379.db2.gz SYHDWVJNTNWBFP-GFCCVEGCSA-N 2 0 357.418 0.456 20 0 FCADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823437 1273745769 /nfs/dbraw/zinc/74/57/69/1273745769.db2.gz MNARFOGCLCTFGQ-TZMCWYRMSA-N 2 0 372.477 0.641 20 0 FCADRP C[N@H+](CCc1c[nH]nn1)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883396 1273866013 /nfs/dbraw/zinc/86/60/13/1273866013.db2.gz MONGACFSLWHERC-MRXNPFEDSA-N 2 0 364.494 0.381 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn[nH]2)CC1 ZINC001576902213 1273906027 /nfs/dbraw/zinc/90/60/27/1273906027.db2.gz CQLZJYMFHABRIL-ZACQAIPSSA-N 2 0 362.478 0.385 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@H+](CCc1cn[nH]n1)C2 ZINC001577189722 1274238042 /nfs/dbraw/zinc/23/80/42/1274238042.db2.gz PLKFBSJBOPGEHZ-RLLQIKCJSA-N 2 0 372.517 0.859 20 0 FCADRP CCCN(C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC[N@H+](C)C1 ZINC001577488611 1274446310 /nfs/dbraw/zinc/44/63/10/1274446310.db2.gz CBZJHBLHTXDDOD-LSDHHAIUSA-N 2 0 352.479 0.797 20 0 FCADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001577530638 1274474195 /nfs/dbraw/zinc/47/41/95/1274474195.db2.gz MJMSYCVQWWDWOJ-GOEBONIOSA-N 2 0 358.494 0.948 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577551181 1274491848 /nfs/dbraw/zinc/49/18/48/1274491848.db2.gz QBBDRVRCBBVSKB-LRDDRELGSA-N 2 0 372.477 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577556814 1274498463 /nfs/dbraw/zinc/49/84/63/1274498463.db2.gz IRMRFZHLHZZMBV-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558219 1274501694 /nfs/dbraw/zinc/50/16/94/1274501694.db2.gz DJJWKROACHNNMR-UKRRQHHQSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561357 1274511089 /nfs/dbraw/zinc/51/10/89/1274511089.db2.gz XPCFXWXPZCTDHF-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568526 1274526212 /nfs/dbraw/zinc/52/62/12/1274526212.db2.gz SWRHEEHCUMCAFX-XJKSGUPXSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577568244 1274526579 /nfs/dbraw/zinc/52/65/79/1274526579.db2.gz NMPLYFWSQIZQOC-AWEZNQCLSA-N 2 0 374.493 0.983 20 0 FCADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH2+]CCOC)C2)ccn1 ZINC001577654390 1274656703 /nfs/dbraw/zinc/65/67/03/1274656703.db2.gz CCHIQVUHNPUCES-QGZVFWFLSA-N 2 0 350.463 0.749 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667153 1274685194 /nfs/dbraw/zinc/68/51/94/1274685194.db2.gz BGAKDSLUPGZGDD-CJNGLKHVSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668842 1274694071 /nfs/dbraw/zinc/69/40/71/1274694071.db2.gz NPNMXXUHPWWOFY-CJNGLKHVSA-N 2 0 372.477 0.783 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672741 1274705882 /nfs/dbraw/zinc/70/58/82/1274705882.db2.gz ADXXCLPKKCDAHU-CJNGLKHVSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673906 1274708535 /nfs/dbraw/zinc/70/85/35/1274708535.db2.gz ZXVDOKPVFCTJJO-BBRMVZONSA-N 2 0 372.477 0.783 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC001577694962 1274757624 /nfs/dbraw/zinc/75/76/24/1274757624.db2.gz HFYCCEBGYMNLJN-QGZVFWFLSA-N 2 0 355.504 0.936 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)COC3CC[NH2+]CC3)CC2)CC1 ZINC001577767602 1274854026 /nfs/dbraw/zinc/85/40/26/1274854026.db2.gz MSINIPDMUMBWQY-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C[NH3+])nc3)cn2)CC1 ZINC001577778322 1274871804 /nfs/dbraw/zinc/87/18/04/1274871804.db2.gz STJOYUBWQBYUDH-UHFFFAOYSA-N 2 0 355.446 0.402 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@@H]1C ZINC001577782028 1274876301 /nfs/dbraw/zinc/87/63/01/1274876301.db2.gz SXZLDUCYVKKOKY-YJBOKZPZSA-N 2 0 366.510 0.808 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH2+]C)C[C@H]1C ZINC001577780949 1274876624 /nfs/dbraw/zinc/87/66/24/1274876624.db2.gz HRNZVISHNVIBMV-HUUCEWRRSA-N 2 0 363.510 0.652 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849832 1274987499 /nfs/dbraw/zinc/98/74/99/1274987499.db2.gz ZWZZZYIHYJSZKD-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577852219 1274997456 /nfs/dbraw/zinc/99/74/56/1274997456.db2.gz MHVPWXAETWGNSR-ZFWWWQNUSA-N 2 0 372.477 0.735 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577856379 1275011541 /nfs/dbraw/zinc/01/15/41/1275011541.db2.gz XQCFCENQUUOFIA-UKRRQHHQSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862454 1275027234 /nfs/dbraw/zinc/02/72/34/1275027234.db2.gz CCXQIRQETKUSIU-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866114 1275043884 /nfs/dbraw/zinc/04/38/84/1275043884.db2.gz ADKKCFLBPCZLNW-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577866997 1275045983 /nfs/dbraw/zinc/04/59/83/1275045983.db2.gz RGYYSMYQFKCGJM-UHFFFAOYSA-N 2 0 358.450 0.476 20 0 FCADRP CC[N@H+](C)CCC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866936 1275047346 /nfs/dbraw/zinc/04/73/46/1275047346.db2.gz PPGSLNZYTSJXPT-AATRIKPKSA-N 2 0 358.450 0.418 20 0 FCADRP CC[N@H+](C)CCC(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577869600 1275054492 /nfs/dbraw/zinc/05/44/92/1275054492.db2.gz ISZVWVZDKCSYNN-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882966 1275084727 /nfs/dbraw/zinc/08/47/27/1275084727.db2.gz QFIITWBWCBNSNK-AWEZNQCLSA-N 2 0 372.477 0.594 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882963 1275084797 /nfs/dbraw/zinc/08/47/97/1275084797.db2.gz QDMUKXQXRVZEGO-KGLIPLIRSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888041 1275093676 /nfs/dbraw/zinc/09/36/76/1275093676.db2.gz AVJUAIBODGXTAJ-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577891709 1275098483 /nfs/dbraw/zinc/09/84/83/1275098483.db2.gz GYERRDUJCYTVRK-CYBMUJFWSA-N 2 0 358.450 0.607 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577891444 1275099374 /nfs/dbraw/zinc/09/93/74/1275099374.db2.gz CQRUKHPBCIDUPY-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577892849 1275102425 /nfs/dbraw/zinc/10/24/25/1275102425.db2.gz UIZXEOZEWBOJRW-ZFWWWQNUSA-N 2 0 372.477 0.722 20 0 FCADRP CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577919638 1275125643 /nfs/dbraw/zinc/12/56/43/1275125643.db2.gz NUINWSXUJNVXOW-OAHLLOKOSA-N 2 0 360.466 0.790 20 0 FCADRP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001577966929 1275192010 /nfs/dbraw/zinc/19/20/10/1275192010.db2.gz BAXUOLMNCZFMJS-UKRRQHHQSA-N 2 0 352.435 0.228 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001578110086 1275412657 /nfs/dbraw/zinc/41/26/57/1275412657.db2.gz VFDMLBHXBSEGQJ-UHFFFAOYSA-N 2 0 370.461 0.348 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578129657 1275428248 /nfs/dbraw/zinc/42/82/48/1275428248.db2.gz KSQNWQGMVUGQJT-JKIFEVAISA-N 2 0 352.483 0.055 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001578134645 1275433319 /nfs/dbraw/zinc/43/33/19/1275433319.db2.gz ZJSFBNMNTTXYFA-OAHLLOKOSA-N 2 0 360.466 0.530 20 0 FCADRP CCOCc1nnc(N2CCC[C@H]([NH3+])C2)n1CC1([NH+](C)C)CCOCC1 ZINC001578138057 1275435793 /nfs/dbraw/zinc/43/57/93/1275435793.db2.gz CXXGFIRKLJFUMV-HNNXBMFYSA-N 2 0 366.510 0.853 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001578136910 1275436416 /nfs/dbraw/zinc/43/64/16/1275436416.db2.gz ZALINNHXQZJBEI-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001578139319 1275437921 /nfs/dbraw/zinc/43/79/21/1275437921.db2.gz UPBVYTWNZSNNMW-HZPDHXFCSA-N 2 0 366.510 0.589 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@@H+]1C ZINC001578160094 1275458616 /nfs/dbraw/zinc/45/86/16/1275458616.db2.gz TYNWADAQYBHIRS-XYPHTWIQSA-N 2 0 350.507 0.679 20 0 FCADRP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001578181525 1275472127 /nfs/dbraw/zinc/47/21/27/1275472127.db2.gz QGTNMEODXXRQCI-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578221419 1275521783 /nfs/dbraw/zinc/52/17/83/1275521783.db2.gz WXYLDMPRIIHJHX-ZENOOKHLSA-N 2 0 370.461 0.617 20 0 FCADRP CCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001578324399 1275670187 /nfs/dbraw/zinc/67/01/87/1275670187.db2.gz OOHPPTJHRJIMQO-CQSZACIVSA-N 2 0 365.482 0.152 20 0 FCADRP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1C[C@H]2COC[C@@H]2[NH2+]1 ZINC001578324165 1275670505 /nfs/dbraw/zinc/67/05/05/1275670505.db2.gz HKYOOSNTVNQPAB-ULQDDVLXSA-N 2 0 362.522 0.995 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)n1 ZINC001578418782 1275787623 /nfs/dbraw/zinc/78/76/23/1275787623.db2.gz HWGSQMHANVUTFK-AWEZNQCLSA-N 2 0 356.430 0.909 20 0 FCADRP CC[C@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)C)[NH+](C)C ZINC001578471138 1275883088 /nfs/dbraw/zinc/88/30/88/1275883088.db2.gz AXWRMZCEBKYUKX-CZUORRHYSA-N 2 0 374.493 0.967 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528122 1275959202 /nfs/dbraw/zinc/95/92/02/1275959202.db2.gz DMMSFJAQQXPOMV-MSOLQXFVSA-N 2 0 356.470 0.638 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528123 1275960108 /nfs/dbraw/zinc/96/01/08/1275960108.db2.gz DMMSFJAQQXPOMV-QZTJIDSGSA-N 2 0 356.470 0.638 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001578536573 1275965215 /nfs/dbraw/zinc/96/52/15/1275965215.db2.gz AKOFWPRJGLBAOS-IRXDYDNUSA-N 2 0 358.490 0.727 20 0 FCADRP CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H](C)[NH+](C)C)C1 ZINC001578549955 1275977556 /nfs/dbraw/zinc/97/75/56/1275977556.db2.gz ZCOSHUSAQQYTQC-ZNMIVQPWSA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578671315 1276123575 /nfs/dbraw/zinc/12/35/75/1276123575.db2.gz INTDTZDCLGZLSU-CRAIPNDOSA-N 2 0 350.511 0.589 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)C1 ZINC001578669919 1276123590 /nfs/dbraw/zinc/12/35/90/1276123590.db2.gz UJYCLHRSBOZUNA-HUUCEWRRSA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001578680559 1276133915 /nfs/dbraw/zinc/13/39/15/1276133915.db2.gz SWZBNPCXNYRWDE-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001578841181 1276360444 /nfs/dbraw/zinc/36/04/44/1276360444.db2.gz XRQDPXNALMWXEC-JGTCGTHISA-N 2 0 355.454 0.938 20 0 FCADRP COC(=O)c1csc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578884933 1276416483 /nfs/dbraw/zinc/41/64/83/1276416483.db2.gz GONVXYMOXVUXGE-YUTCNCBUSA-N 2 0 351.428 0.902 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N[C@@H]3CC[NH2+]C[C@@H]3O)CCCC2)CC1 ZINC001578941723 1276483967 /nfs/dbraw/zinc/48/39/67/1276483967.db2.gz XQEMOBNQIPDHJC-CVEARBPZSA-N 2 0 354.495 0.432 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCC1 ZINC001578962866 1276506522 /nfs/dbraw/zinc/50/65/22/1276506522.db2.gz ZWOMMMMHLRXGFR-UHFFFAOYSA-N 2 0 370.461 0.571 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578972920 1276517909 /nfs/dbraw/zinc/51/79/09/1276517909.db2.gz FHGOSMWHYNBVIV-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001578973635 1276520569 /nfs/dbraw/zinc/52/05/69/1276520569.db2.gz WCJWOIMQZIJRTH-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578974028 1276523053 /nfs/dbraw/zinc/52/30/53/1276523053.db2.gz HIRURYLYANSJOB-UHFFFAOYSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578975735 1276526536 /nfs/dbraw/zinc/52/65/36/1276526536.db2.gz GBEQQOQSRHPMOH-CYBMUJFWSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578980371 1276540627 /nfs/dbraw/zinc/54/06/27/1276540627.db2.gz IBVGTBRLPORNKN-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578982394 1276544939 /nfs/dbraw/zinc/54/49/39/1276544939.db2.gz NPYFPQANWPMNOV-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578985652 1276552776 /nfs/dbraw/zinc/55/27/76/1276552776.db2.gz MSNWOULVMOKDGD-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578985653 1276553091 /nfs/dbraw/zinc/55/30/91/1276553091.db2.gz MSNWOULVMOKDGD-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987527 1276557022 /nfs/dbraw/zinc/55/70/22/1276557022.db2.gz IIBFRHLULXHVKK-AWEZNQCLSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987376 1276557121 /nfs/dbraw/zinc/55/71/21/1276557121.db2.gz BBUIJYCWFWZTLN-QWHCGFSZSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578988495 1276562000 /nfs/dbraw/zinc/56/20/00/1276562000.db2.gz YEKSDKVEEXXAHU-JOCQHMNTSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578991801 1276565577 /nfs/dbraw/zinc/56/55/77/1276565577.db2.gz ZQVDTIAAEIBMAH-IYBDPMFKSA-N 2 0 357.462 0.945 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579020958 1276599660 /nfs/dbraw/zinc/59/96/60/1276599660.db2.gz IHEMWNKSSPGFSE-LSDHHAIUSA-N 2 0 352.483 0.506 20 0 FCADRP COCCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CC[NH+]1CCSCC1 ZINC001579021683 1276600067 /nfs/dbraw/zinc/60/00/67/1276600067.db2.gz PITSSLNMINZFDH-HNNXBMFYSA-N 2 0 368.551 0.877 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC001579037095 1276621190 /nfs/dbraw/zinc/62/11/90/1276621190.db2.gz FLHYDMHXBUMPRN-IYBDPMFKSA-N 2 0 356.511 0.753 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H](C)OC3(CC[NH2+]CC3)C2)CC1 ZINC001579038212 1276623452 /nfs/dbraw/zinc/62/34/52/1276623452.db2.gz DOQOJSUVKJRBNM-OAHLLOKOSA-N 2 0 354.495 0.650 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@H](C)[NH+](C)C ZINC001579080583 1276707455 /nfs/dbraw/zinc/70/74/55/1276707455.db2.gz CTLVLSDLCIXNQT-VGWMRTNUSA-N 2 0 366.510 0.737 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001579121176 1276796109 /nfs/dbraw/zinc/79/61/09/1276796109.db2.gz UEBIBUKYWDTNBJ-QZTJIDSGSA-N 2 0 362.474 0.429 20 0 FCADRP CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579171644 1276925882 /nfs/dbraw/zinc/92/58/82/1276925882.db2.gz DUQUSUKUTRITTL-CQSZACIVSA-N 2 0 356.434 0.156 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001579215107 1277012166 /nfs/dbraw/zinc/01/21/66/1277012166.db2.gz XYJHDGYTGMQOKP-CZUORRHYSA-N 2 0 370.461 0.571 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322751 1277137342 /nfs/dbraw/zinc/13/73/42/1277137342.db2.gz GOVZELKWXKUOKD-BBRMVZONSA-N 2 0 370.461 0.284 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326574 1277149792 /nfs/dbraw/zinc/14/97/92/1277149792.db2.gz PQIAQFMQWUTYBD-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326479 1277150040 /nfs/dbraw/zinc/15/00/40/1277150040.db2.gz JYFQMSSUVNBOSH-CABCVRRESA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334002 1277170790 /nfs/dbraw/zinc/17/07/90/1277170790.db2.gz UJVGBQUHSPVUSV-DOTOQJQBSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001579334706 1277172914 /nfs/dbraw/zinc/17/29/14/1277172914.db2.gz ZZVDMKRJLXRWAG-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334879 1277173471 /nfs/dbraw/zinc/17/34/71/1277173471.db2.gz ITRDDQZETXOMBE-KBPBESRZSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335806 1277176919 /nfs/dbraw/zinc/17/69/19/1277176919.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338862 1277181261 /nfs/dbraw/zinc/18/12/61/1277181261.db2.gz YYQHUNSAFKIQEK-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339563 1277183553 /nfs/dbraw/zinc/18/35/53/1277183553.db2.gz JLNGUORAAYUXPX-XIRDDKMYSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579340017 1277185210 /nfs/dbraw/zinc/18/52/10/1277185210.db2.gz PGUADOVBQQYYFH-IYBDPMFKSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342623 1277190915 /nfs/dbraw/zinc/19/09/15/1277190915.db2.gz APSJQQCZJDXNBX-GDBMZVCRSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579344216 1277194518 /nfs/dbraw/zinc/19/45/18/1277194518.db2.gz OEUINLBFXHKUJO-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344926 1277197543 /nfs/dbraw/zinc/19/75/43/1277197543.db2.gz IMUVCEKQZKKKFI-KGLIPLIRSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579347271 1277201348 /nfs/dbraw/zinc/20/13/48/1277201348.db2.gz ZYHIVCYGYPWDGY-GFCCVEGCSA-N 2 0 356.434 0.086 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357010 1277224362 /nfs/dbraw/zinc/22/43/62/1277224362.db2.gz SJIOUQYVKAFXOS-HOCLYGCPSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001579358572 1277226930 /nfs/dbraw/zinc/22/69/30/1277226930.db2.gz GJSVQBJKZQRXKF-OAHLLOKOSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366257 1277245543 /nfs/dbraw/zinc/24/55/43/1277245543.db2.gz QKDJGDIQTBQBPQ-BBRMVZONSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579368545 1277250615 /nfs/dbraw/zinc/25/06/15/1277250615.db2.gz AEHJQFIJKIUCDH-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579372294 1277255590 /nfs/dbraw/zinc/25/55/90/1277255590.db2.gz SJXZQZNIVITOBA-DLBZAZTESA-N 2 0 369.473 0.945 20 0 FCADRP Cc1c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc2c[nH+]cn21 ZINC001579521794 1277477032 /nfs/dbraw/zinc/47/70/32/1277477032.db2.gz ASEICAZUMBQQOR-OAHLLOKOSA-N 2 0 355.442 0.927 20 0 FCADRP COc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)cc1-c1nn[nH]n1 ZINC001580019410 1277991788 /nfs/dbraw/zinc/99/17/88/1277991788.db2.gz CMRLEZWYZQMLSV-UHFFFAOYSA-N 2 0 373.461 0.565 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001580088995 1278003598 /nfs/dbraw/zinc/00/35/98/1278003598.db2.gz GHVAMNBVQIXPGV-MAUKXSAKSA-N 2 0 351.495 0.359 20 0 FCADRP NC(=O)NCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001580096615 1278005340 /nfs/dbraw/zinc/00/53/40/1278005340.db2.gz IRXVVYIUBYHGLL-IYBDPMFKSA-N 2 0 351.495 0.642 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580098104 1278006317 /nfs/dbraw/zinc/00/63/17/1278006317.db2.gz IEYGKAKSELNJAX-OAGGEKHMSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001714391621 1287320977 /nfs/dbraw/zinc/32/09/77/1287320977.db2.gz UOYYMQNSXKWXPR-RRFJBIMHSA-N 2 0 359.536 0.493 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001580272966 1278067350 /nfs/dbraw/zinc/06/73/50/1278067350.db2.gz WGIZEWZJHWUDES-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580273800 1278067598 /nfs/dbraw/zinc/06/75/98/1278067598.db2.gz AKRSYUFMUINSRL-FZMZJTMJSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001580277026 1278073426 /nfs/dbraw/zinc/07/34/26/1278073426.db2.gz QVEFEPYEHVFXSJ-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940493 1279148469 /nfs/dbraw/zinc/14/84/69/1279148469.db2.gz AGTDFNQNGCTQJL-CYBMUJFWSA-N 2 0 360.466 0.851 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941437 1279149906 /nfs/dbraw/zinc/14/99/06/1279149906.db2.gz HPVWABRKDMGVNP-HIFRSBDPSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942757 1279150999 /nfs/dbraw/zinc/15/09/99/1279150999.db2.gz ZPEPSLDNBNZXKR-DZGCQCFKSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949044 1279155327 /nfs/dbraw/zinc/15/53/27/1279155327.db2.gz LNDKNFFBDQQZNV-GFCCVEGCSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954881 1279158628 /nfs/dbraw/zinc/15/86/28/1279158628.db2.gz BZEPQSZNRUEWHV-KGLIPLIRSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958453 1279161578 /nfs/dbraw/zinc/16/15/78/1279161578.db2.gz BWZFLUOEMGCIGH-HIFRSBDPSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580964293 1279167244 /nfs/dbraw/zinc/16/72/44/1279167244.db2.gz AARIPYUANGZVQX-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N2CCCN(C(=O)C[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968332 1279170007 /nfs/dbraw/zinc/17/00/07/1279170007.db2.gz OOYYAZXKUQNUBZ-UHFFFAOYSA-N 2 0 370.461 0.705 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974495 1279174576 /nfs/dbraw/zinc/17/45/76/1279174576.db2.gz GRXFPNWNWGWOGO-STQMWFEESA-N 2 0 356.434 0.311 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974911 1279176439 /nfs/dbraw/zinc/17/64/39/1279176439.db2.gz ZUZTWPBXNYSVNS-KBPBESRZSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977827 1279177368 /nfs/dbraw/zinc/17/73/68/1279177368.db2.gz RXQDPEOZIINULM-HALDLXJZSA-N 2 0 370.461 0.461 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989362 1279190255 /nfs/dbraw/zinc/19/02/55/1279190255.db2.gz WYLFAAZDOVMAHG-GFCCVEGCSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991130 1279193513 /nfs/dbraw/zinc/19/35/13/1279193513.db2.gz LDAYBARKXMOBOX-CZUORRHYSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993045 1279197649 /nfs/dbraw/zinc/19/76/49/1279197649.db2.gz FGXBTDPQCQYQNG-JKSUJKDBSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994044 1279200723 /nfs/dbraw/zinc/20/07/23/1279200723.db2.gz KKNMIARLMRKRNR-WFASDCNBSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994374 1279202053 /nfs/dbraw/zinc/20/20/53/1279202053.db2.gz NASSLAFYRXUZGK-LBPRGKRZSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994250 1279202126 /nfs/dbraw/zinc/20/21/26/1279202126.db2.gz SVBOZECQFWFBEQ-CJNGLKHVSA-N 2 0 372.477 0.496 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994876 1279202830 /nfs/dbraw/zinc/20/28/30/1279202830.db2.gz RZFYOMLDQKUZLI-JSGCOSHPSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581001619 1279217302 /nfs/dbraw/zinc/21/73/02/1279217302.db2.gz ILSYCCILNCSFHY-ZIAGYGMSSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581001615 1279217812 /nfs/dbraw/zinc/21/78/12/1279217812.db2.gz ILSYCCILNCSFHY-KBPBESRZSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004142 1279222832 /nfs/dbraw/zinc/22/28/32/1279222832.db2.gz MPIOUGROSQRMQK-KBPBESRZSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007019 1279227183 /nfs/dbraw/zinc/22/71/83/1279227183.db2.gz ZKNZFDJPHLYDQZ-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010824 1279237573 /nfs/dbraw/zinc/23/75/73/1279237573.db2.gz WNSKQFBDFHWAFB-GFCCVEGCSA-N 2 0 360.466 0.498 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012850 1279239317 /nfs/dbraw/zinc/23/93/17/1279239317.db2.gz CFPROHNPEKBTLE-UONOGXRCSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013657 1279240264 /nfs/dbraw/zinc/24/02/64/1279240264.db2.gz UVPIAIPLFBKRRP-OCCSQVGLSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025023 1279256535 /nfs/dbraw/zinc/25/65/35/1279256535.db2.gz NGSGDWYWIFALBN-GXTWGEPZSA-N 2 0 372.477 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc3ccccc3n2C)CC[N@@H+]1C ZINC001715589063 1287355780 /nfs/dbraw/zinc/35/57/80/1287355780.db2.gz XUJSFOFUFUGUMV-QLFBSQMISA-N 2 0 359.474 0.480 20 0 FCADRP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603482181 1287387781 /nfs/dbraw/zinc/38/77/81/1287387781.db2.gz ZLPDBWWIDSYSNW-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001603481502 1287388000 /nfs/dbraw/zinc/38/80/00/1287388000.db2.gz JMVIGTAZSLYZCS-CQSZACIVSA-N 2 0 369.477 0.630 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001603517731 1287399225 /nfs/dbraw/zinc/39/92/25/1287399225.db2.gz NUIFYJFMARICDP-CYBMUJFWSA-N 2 0 372.477 0.725 20 0 FCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001603599175 1287434989 /nfs/dbraw/zinc/43/49/89/1287434989.db2.gz QAOYNZZPAIWABC-STQMWFEESA-N 2 0 360.466 0.676 20 0 FCADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603608166 1287440502 /nfs/dbraw/zinc/44/05/02/1287440502.db2.gz MEGSGGCZUFDOCS-QWHCGFSZSA-N 2 0 372.477 0.863 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582053830 1280978393 /nfs/dbraw/zinc/97/83/93/1280978393.db2.gz RKAMUEHCVWHXEL-AWEZNQCLSA-N 2 0 370.461 0.572 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582097696 1281052271 /nfs/dbraw/zinc/05/22/71/1281052271.db2.gz KVMQNXJYAUUDRC-MRXNPFEDSA-N 2 0 355.446 0.653 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC1=O ZINC001631800977 1282113963 /nfs/dbraw/zinc/11/39/63/1282113963.db2.gz GOISQTDTKVWHOS-VSZNYVQBSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001636937290 1282547272 /nfs/dbraw/zinc/54/72/72/1282547272.db2.gz VUMNPKYSLSMVFM-HNNXBMFYSA-N 2 0 360.462 0.799 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001604197535 1287584456 /nfs/dbraw/zinc/58/44/56/1287584456.db2.gz JLOPMKJLRCVBCJ-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP C[NH+](C)C[C@H](CO)NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001640201528 1282846042 /nfs/dbraw/zinc/84/60/42/1282846042.db2.gz JKXPTWJAOHLIEK-MRXNPFEDSA-N 2 0 368.909 0.891 20 0 FCADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H](C)[NH3+] ZINC001589912653 1283120780 /nfs/dbraw/zinc/12/07/80/1283120780.db2.gz KMTRZRBKUFKFJI-QWHCGFSZSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001590270777 1283396609 /nfs/dbraw/zinc/39/66/09/1283396609.db2.gz MSBYUQCLWKNJFP-GFCCVEGCSA-N 2 0 361.425 0.553 20 0 FCADRP CC[C@@H](C(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590855753 1283930581 /nfs/dbraw/zinc/93/05/81/1283930581.db2.gz FFWWTWAJUNINJK-XHPSBEMXSA-N 2 0 358.450 0.417 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OC ZINC001683325341 1283942439 /nfs/dbraw/zinc/94/24/39/1283942439.db2.gz DFWVXBSYUCTANC-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001683325876 1283944291 /nfs/dbraw/zinc/94/42/91/1283944291.db2.gz YSBYPAPNNRUVKY-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP CN(CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC001591116186 1284192399 /nfs/dbraw/zinc/19/23/99/1284192399.db2.gz OPHLKKJEERCMGI-QGZVFWFLSA-N 2 0 360.462 0.770 20 0 FCADRP C[N@H+](CCc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001591121722 1284197051 /nfs/dbraw/zinc/19/70/51/1284197051.db2.gz UTQIDUPOVPSHHY-OAHLLOKOSA-N 2 0 357.462 0.538 20 0 FCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172499 1284255315 /nfs/dbraw/zinc/25/53/15/1284255315.db2.gz VRPGTNCQSCPSMC-HOTGVXAUSA-N 2 0 369.473 0.851 20 0 FCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172500 1284256219 /nfs/dbraw/zinc/25/62/19/1284256219.db2.gz VRPGTNCQSCPSMC-HZPDHXFCSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173347 1284257785 /nfs/dbraw/zinc/25/77/85/1284257785.db2.gz SHPVENWTUBDCRZ-IUODEOHRSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175598 1284265175 /nfs/dbraw/zinc/26/51/75/1284265175.db2.gz QGTXSXXQNQSKOZ-AWEZNQCLSA-N 2 0 372.477 0.724 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175745 1284268007 /nfs/dbraw/zinc/26/80/07/1284268007.db2.gz UKIPCWLZWOVYEN-RXYHWBRQSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591187556 1284301309 /nfs/dbraw/zinc/30/13/09/1284301309.db2.gz ZFAAZLNJRHFZBW-INIZCTEOSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001591189653 1284305672 /nfs/dbraw/zinc/30/56/72/1284305672.db2.gz KAFYZEBQMDYAGE-RXYHWBRQSA-N 2 0 373.436 0.862 20 0 FCADRP COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1-c1nn[nH]n1 ZINC001591526475 1284713133 /nfs/dbraw/zinc/71/31/33/1284713133.db2.gz RWLWNQIDOWKDEV-AWEZNQCLSA-N 2 0 373.461 0.695 20 0 FCADRP CN(CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604765424 1287771578 /nfs/dbraw/zinc/77/15/78/1287771578.db2.gz IAFXJPCLPHFCGN-KBPBESRZSA-N 2 0 372.477 0.935 20 0 FCADRP Fc1ccc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c(-c2nn[nH]n2)c1 ZINC001592651499 1285561117 /nfs/dbraw/zinc/56/11/17/1285561117.db2.gz ZVXBFNPRNJTUEU-CQSZACIVSA-N 2 0 373.436 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001702414614 1285655761 /nfs/dbraw/zinc/65/57/61/1285655761.db2.gz YUODPYYDXVPXKS-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592748211 1285669824 /nfs/dbraw/zinc/66/98/24/1285669824.db2.gz KSCFYRRBPVILEC-IKGGRYGDSA-N 2 0 358.446 0.728 20 0 FCADRP O=C(NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C12CCC[NH+]1CCC2 ZINC001593085640 1285984485 /nfs/dbraw/zinc/98/44/85/1285984485.db2.gz YBZBKQVXVBMNBQ-UHFFFAOYSA-N 2 0 373.436 0.840 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)CC1 ZINC001735956559 1289084707 /nfs/dbraw/zinc/08/47/07/1289084707.db2.gz WFBXSLKQFUXJET-SJORKVTESA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)CC1 ZINC001707221736 1287067748 /nfs/dbraw/zinc/06/77/48/1287067748.db2.gz RUBHCJCINCLZCM-MSOLQXFVSA-N 2 0 362.518 0.635 20 0 FCADRP Cc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001609405326 1289138944 /nfs/dbraw/zinc/13/89/44/1289138944.db2.gz FTUPHTOWYMZBNK-UHFFFAOYSA-N 2 0 370.461 0.705 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001719231556 1287909172 /nfs/dbraw/zinc/90/91/72/1287909172.db2.gz GBSCHXCHIZFHLK-HUUCEWRRSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001605412953 1287951831 /nfs/dbraw/zinc/95/18/31/1287951831.db2.gz PCFHCWZNTPLRBD-ZIAGYGMSSA-N 2 0 372.477 0.532 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@@H+]1C ZINC001605431575 1287960948 /nfs/dbraw/zinc/96/09/48/1287960948.db2.gz ZNIFIBOUYNDSRC-AXAPSJFSSA-N 2 0 370.461 0.331 20 0 FCADRP Cc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605695206 1288052612 /nfs/dbraw/zinc/05/26/12/1288052612.db2.gz NPKOHKHCINHJDQ-CQSZACIVSA-N 2 0 370.461 0.751 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726680 1288063470 /nfs/dbraw/zinc/06/34/70/1288063470.db2.gz JYNRTFQZBQMTLK-XJKSGUPXSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732815 1288065129 /nfs/dbraw/zinc/06/51/29/1288065129.db2.gz VRISCYYGSFDJOT-UONOGXRCSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NCCNC(=O)CCCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605734408 1288066363 /nfs/dbraw/zinc/06/63/63/1288066363.db2.gz BTJRZJZHDJLYNW-UHFFFAOYSA-N 2 0 372.477 0.786 20 0 FCADRP [NH3+]Cc1nccnc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606440858 1288320506 /nfs/dbraw/zinc/32/05/06/1288320506.db2.gz SBHXZZHTCLFMEB-UHFFFAOYSA-N 2 0 365.445 0.828 20 0 FCADRP CCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001727529429 1288515043 /nfs/dbraw/zinc/51/50/43/1288515043.db2.gz LERDRXHLTLUGDN-DAYGRLMNSA-N 2 0 350.511 0.826 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732085677 1288574194 /nfs/dbraw/zinc/57/41/94/1288574194.db2.gz VNQQZZWSIZJHKM-HLLBOEOZSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001732342958 1288581830 /nfs/dbraw/zinc/58/18/30/1288581830.db2.gz MOLQWZUWCWDBGP-ZMSDIMECSA-N 2 0 371.489 0.844 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCCOC ZINC001692027498 1289370165 /nfs/dbraw/zinc/37/01/65/1289370165.db2.gz FJJKLTBBFXHUCL-KZNAEPCWSA-N 2 0 353.507 0.818 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001692031686 1289371443 /nfs/dbraw/zinc/37/14/43/1289371443.db2.gz NLPGKMVFSCLGKZ-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001692083222 1289388831 /nfs/dbraw/zinc/38/88/31/1289388831.db2.gz OIINFIRLIHEJGX-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001692096832 1289399164 /nfs/dbraw/zinc/39/91/64/1289399164.db2.gz HGSSUTLWEQQEIB-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692291316 1289445446 /nfs/dbraw/zinc/44/54/46/1289445446.db2.gz BPTVNFAVPGPILL-IKGGRYGDSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001699000360 1289542128 /nfs/dbraw/zinc/54/21/28/1289542128.db2.gz CQPYHWQBEWXSIL-OWCLPIDISA-N 2 0 359.536 0.542 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001699101365 1289545976 /nfs/dbraw/zinc/54/59/76/1289545976.db2.gz CGCSQUNMFORIPD-DMDPSCGWSA-N 2 0 368.507 0.610 20 0 FCADRP CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309301 1289548805 /nfs/dbraw/zinc/54/88/05/1289548805.db2.gz XRERHVOSVVQMMO-CNPAMDGFSA-N 2 0 358.486 0.858 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001702150121 1289754855 /nfs/dbraw/zinc/75/48/55/1289754855.db2.gz OVMPSMPNZAJXEO-JZXOWHBKSA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001753130704 1290621062 /nfs/dbraw/zinc/62/10/62/1290621062.db2.gz XXTMUBHFFOXLQQ-IXDOHACOSA-N 2 0 367.538 0.862 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001754225719 1290627087 /nfs/dbraw/zinc/62/70/87/1290627087.db2.gz IOZSTZRUUWOHRA-CKYFFXLPSA-N 2 0 354.480 0.220 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001757247539 1290750479 /nfs/dbraw/zinc/75/04/79/1290750479.db2.gz PGCXXGXEHRCFRY-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC001643312024 1290873797 /nfs/dbraw/zinc/87/37/97/1290873797.db2.gz DIHHBNNGAUABCU-INIZCTEOSA-N 2 0 370.538 0.602 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839880 1291566057 /nfs/dbraw/zinc/56/60/57/1291566057.db2.gz MJAPIOSQIZQBTQ-ZACQAIPSSA-N 2 0 371.547 0.543 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001673434027 1292108587 /nfs/dbraw/zinc/10/85/87/1292108587.db2.gz BJEACHJBTAZKRX-QLFBSQMISA-N 2 0 369.510 0.341 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956305 1292286777 /nfs/dbraw/zinc/28/67/77/1292286777.db2.gz AWPCDSVVEPITOK-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001685620102 1292574842 /nfs/dbraw/zinc/57/48/42/1292574842.db2.gz USZYFSXVYVNSKF-RCCFBDPRSA-N 2 0 368.522 0.510 20 0 FCADRP 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 ZINC001688903455 1294548486 /nfs/dbraw/zinc/54/84/86/1294548486.db2.gz IXVKVEGFUNGCSX-IUKJFTNHSA-N 2 0 350.507 0.726 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCOCCO)C1)C12CCC[NH+](CCC1)C2 ZINC001688986309 1294560919 /nfs/dbraw/zinc/56/09/19/1294560919.db2.gz IMZKGPPKRRGNDQ-DLBZAZTESA-N 2 0 353.507 0.746 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001689019423 1294568849 /nfs/dbraw/zinc/56/88/49/1294568849.db2.gz UGBIUDLAXBFQPW-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)no1 ZINC001689019032 1294568973 /nfs/dbraw/zinc/56/89/73/1294568973.db2.gz COQLXUZOUJEKKD-LSDHHAIUSA-N 2 0 363.462 0.892 20 0 FCADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689025372 1294574155 /nfs/dbraw/zinc/57/41/55/1294574155.db2.gz QMHJOCZHJQBSIH-BZUAXINKSA-N 2 0 350.507 0.679 20 0 FCADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689025373 1294574372 /nfs/dbraw/zinc/57/43/72/1294574372.db2.gz QMHJOCZHJQBSIH-OAGGEKHMSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001689036345 1294582223 /nfs/dbraw/zinc/58/22/23/1294582223.db2.gz VGWKPJOPOPRGGV-BPQIPLTHSA-N 2 0 363.506 0.561 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001689100375 1294616802 /nfs/dbraw/zinc/61/68/02/1294616802.db2.gz VBDVEVMNVLZGON-KGLIPLIRSA-N 2 0 369.510 0.376 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001689350191 1294767881 /nfs/dbraw/zinc/76/78/81/1294767881.db2.gz WQPOHYLNFXEXRI-SHUKXNKTSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001690151453 1294861689 /nfs/dbraw/zinc/86/16/89/1294861689.db2.gz MGOOTGRPLUBERX-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001690941387 1294892569 /nfs/dbraw/zinc/89/25/69/1294892569.db2.gz BBRXDYNBLWHZPP-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001691515426 1294896313 /nfs/dbraw/zinc/89/63/13/1294896313.db2.gz ASIJUJRRJBQOKJ-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001691656688 1294905162 /nfs/dbraw/zinc/90/51/62/1294905162.db2.gz UEXFDZOHTRELDZ-GOEBONIOSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001164729843 720508651 /nfs/dbraw/zinc/50/86/51/720508651.db2.gz JQCHMFCPIBEKMN-HNNXBMFYSA-N 2 0 356.478 0.281 20 0 FCADRP Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164743439 720807323 /nfs/dbraw/zinc/80/73/23/720807323.db2.gz FZDKHBLXXABCSY-JKSUJKDBSA-N 2 0 367.457 0.604 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930812 721853128 /nfs/dbraw/zinc/85/31/28/721853128.db2.gz SUQZLZRBNHQFAC-GJZGRUSLSA-N 2 0 350.898 0.990 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069929098 837565256 /nfs/dbraw/zinc/56/52/56/837565256.db2.gz VAVJXQILRCVJCD-OAGGEKHMSA-N 2 0 350.442 0.321 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)C12CCC[NH+](CCC1)C2 ZINC001070216311 837635416 /nfs/dbraw/zinc/63/54/16/837635416.db2.gz LUCGZTKZGANICI-CABCVRRESA-N 2 0 350.442 0.465 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924375 837701652 /nfs/dbraw/zinc/70/16/52/837701652.db2.gz LHJLOIDNDSRJBM-OAGGEKHMSA-N 2 0 350.463 0.598 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001071061247 837721277 /nfs/dbraw/zinc/72/12/77/837721277.db2.gz UNLZVJCSDMLQKO-UAGQMJEPSA-N 2 0 353.507 0.837 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099301908 844013268 /nfs/dbraw/zinc/01/32/68/844013268.db2.gz XCYXIJDMSGCIKB-JHJVBQTASA-N 2 0 364.412 0.571 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099343631 844036598 /nfs/dbraw/zinc/03/65/98/844036598.db2.gz PQDWMJXPYFSJKZ-ZIAGYGMSSA-N 2 0 359.396 0.958 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101231159 844112015 /nfs/dbraw/zinc/11/20/15/844112015.db2.gz UAUWJRRVHZXQID-LMMKCTJWSA-N 2 0 353.507 0.648 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257845 844122977 /nfs/dbraw/zinc/12/29/77/844122977.db2.gz PDXUTTPNGMGBNS-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000382750254 836051902 /nfs/dbraw/zinc/05/19/02/836051902.db2.gz FIOXMMRONCAFLT-KRWDZBQOSA-N 2 0 352.504 0.590 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257456 844122759 /nfs/dbraw/zinc/12/27/59/844122759.db2.gz VEMSBZUUAHZROA-VKJFTORMSA-N 2 0 356.486 0.583 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279550 844130087 /nfs/dbraw/zinc/13/00/87/844130087.db2.gz PZVJNFRJRBVSQE-MDZRGWNJSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279625 844130460 /nfs/dbraw/zinc/13/04/60/844130460.db2.gz SCSYDOLDZKYVKL-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279636 844130559 /nfs/dbraw/zinc/13/05/59/844130559.db2.gz SPKCDVAOWGXXBW-AOIWGVFYSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747566702 836249378 /nfs/dbraw/zinc/24/93/78/836249378.db2.gz FAQKLSQOEQAEOC-RCCFBDPRSA-N 2 0 352.523 0.724 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747566698 836249663 /nfs/dbraw/zinc/24/96/63/836249663.db2.gz FAQKLSQOEQAEOC-KZNAEPCWSA-N 2 0 352.523 0.724 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351823 844155419 /nfs/dbraw/zinc/15/54/19/844155419.db2.gz NLQYAVIUHKOAGY-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363188 844160546 /nfs/dbraw/zinc/16/05/46/844160546.db2.gz QCTMOYAPILJUCU-MDZRGWNJSA-N 2 0 352.523 0.975 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364431 844161128 /nfs/dbraw/zinc/16/11/28/844161128.db2.gz TZSLIYPWPHKNTE-FCEWJHQRSA-N 2 0 350.507 0.587 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365798 844162008 /nfs/dbraw/zinc/16/20/08/844162008.db2.gz JWMVSHZGKUTZBK-GJYPPUQNSA-N 2 0 353.507 0.506 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369857 844163457 /nfs/dbraw/zinc/16/34/57/844163457.db2.gz QUONINOPXLXMRL-SCTDSRPQSA-N 2 0 353.507 0.650 20 0 FCADRP COCC[N@@H+]1C[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369680 844163581 /nfs/dbraw/zinc/16/35/81/844163581.db2.gz HNSNUIKMTYDQBL-SCTDSRPQSA-N 2 0 353.507 0.914 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101418464 844179889 /nfs/dbraw/zinc/17/98/89/844179889.db2.gz SXLGIUCNEMJNDA-APWZRJJASA-N 2 0 352.523 0.975 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418135 844180697 /nfs/dbraw/zinc/18/06/97/844180697.db2.gz BEAVLNRVSKRPMD-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437716 844186606 /nfs/dbraw/zinc/18/66/06/844186606.db2.gz KYHLMPUYTJMDTC-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061605285 836698372 /nfs/dbraw/zinc/69/83/72/836698372.db2.gz RLTFKRAEPANIMF-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001062713956 836741670 /nfs/dbraw/zinc/74/16/70/836741670.db2.gz CYONFKBWEVGURG-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC2)CC[N@@H+]1C ZINC001063365256 836764964 /nfs/dbraw/zinc/76/49/64/836764964.db2.gz OEYFUNMLNVDKDY-BMFZPTHFSA-N 2 0 350.507 0.822 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474229 844199165 /nfs/dbraw/zinc/19/91/65/844199165.db2.gz OAUSCWLVQORIMA-LMMKCTJWSA-N 2 0 353.507 0.650 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101476205 844199987 /nfs/dbraw/zinc/19/99/87/844199987.db2.gz IAZABVPYNPFFEJ-APWZRJJASA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477090 844201369 /nfs/dbraw/zinc/20/13/69/844201369.db2.gz BZSPCPGYJWUKFW-MDZRGWNJSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477243 844201817 /nfs/dbraw/zinc/20/18/17/844201817.db2.gz KGNOLLZPYCJJLL-APWZRJJASA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418539 837998820 /nfs/dbraw/zinc/99/88/20/837998820.db2.gz COATZAOBIGCVGL-GVDBMIGSSA-N 2 0 350.507 0.903 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003143 838208098 /nfs/dbraw/zinc/20/80/98/838208098.db2.gz VAUUNLNARWKCJP-ARFHVFGLSA-N 2 0 364.515 0.497 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023513 838223178 /nfs/dbraw/zinc/22/31/78/838223178.db2.gz DLNWSEAZPPLUBS-KBUPBQIOSA-N 2 0 352.504 0.496 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219544 838822634 /nfs/dbraw/zinc/82/26/34/838822634.db2.gz UDVCIDQVXAXCPI-GVDBMIGSSA-N 2 0 351.491 0.450 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299561 838886620 /nfs/dbraw/zinc/88/66/20/838886620.db2.gz HQGQLUHMAQCKRY-IAGOWNOFSA-N 2 0 351.491 0.593 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102049898 844396491 /nfs/dbraw/zinc/39/64/91/844396491.db2.gz JMLFGKCIECOHFS-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050167 844396533 /nfs/dbraw/zinc/39/65/33/844396533.db2.gz YSZDLLBWXCGSQL-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077778282 839152313 /nfs/dbraw/zinc/15/23/13/839152313.db2.gz AOMIUOHHPSAAEZ-RCCFBDPRSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001102085986 844407526 /nfs/dbraw/zinc/40/75/26/844407526.db2.gz LELBTTFVJWIKMZ-DJIMGWMZSA-N 2 0 352.523 0.927 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723999 839580692 /nfs/dbraw/zinc/58/06/92/839580692.db2.gz UYUSVJOYLBUHCX-DTZQCDIJSA-N 2 0 366.531 0.995 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079806415 839597804 /nfs/dbraw/zinc/59/78/04/839597804.db2.gz GAPCYODKJRDVHB-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288632 844458166 /nfs/dbraw/zinc/45/81/66/844458166.db2.gz NGBGTMHWVIMNQI-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288386 844458856 /nfs/dbraw/zinc/45/88/56/844458856.db2.gz AOKWMJILULKZCS-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443882 839725285 /nfs/dbraw/zinc/72/52/85/839725285.db2.gz FEKIPQOYCJNXKP-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080449491 839727250 /nfs/dbraw/zinc/72/72/50/839727250.db2.gz NDQSCNGASDMPCQ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456281 839729166 /nfs/dbraw/zinc/72/91/66/839729166.db2.gz WWQPBNNSALNZFQ-HUUCEWRRSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102316332 844465771 /nfs/dbraw/zinc/46/57/71/844465771.db2.gz PRWDMKMUAHAWJF-RHSMWYFYSA-N 2 0 350.507 0.539 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001080559013 839746192 /nfs/dbraw/zinc/74/61/92/839746192.db2.gz PSXCZBFZXLOURB-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080561128 839747265 /nfs/dbraw/zinc/74/72/65/839747265.db2.gz OMAWKDSJBLRRSW-BFYDXBDKSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558954 839747351 /nfs/dbraw/zinc/74/73/51/839747351.db2.gz MGTDPWDNXWLKQS-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370369 844477814 /nfs/dbraw/zinc/47/78/14/844477814.db2.gz YJUOXRDJEHMGBX-ARFHVFGLSA-N 2 0 350.507 0.633 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894969 840091539 /nfs/dbraw/zinc/09/15/39/840091539.db2.gz LSVJOGISZRAING-BRWVUGGUSA-N 2 0 351.491 0.857 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102475629 844516382 /nfs/dbraw/zinc/51/63/82/844516382.db2.gz XDBYSUWAATUSPO-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137894 840206707 /nfs/dbraw/zinc/20/67/07/840206707.db2.gz GAQGGOMGPCIBQS-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473817 844515635 /nfs/dbraw/zinc/51/56/35/844515635.db2.gz RLQDYAYVTUKGKO-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202312 840235978 /nfs/dbraw/zinc/23/59/78/840235978.db2.gz REBLZRIXYRJMNU-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082512251 840444112 /nfs/dbraw/zinc/44/41/12/840444112.db2.gz UDZSJPVBSYZFJD-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082539844 840453820 /nfs/dbraw/zinc/45/38/20/840453820.db2.gz LNCZFXIHHWNPAN-KWCYVHTRSA-N 2 0 350.488 0.748 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082544603 840457673 /nfs/dbraw/zinc/45/76/73/840457673.db2.gz KHACJXSCJPGHRA-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082557501 840463276 /nfs/dbraw/zinc/46/32/76/840463276.db2.gz JHLXSLRFKSMBAO-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001082576237 840472623 /nfs/dbraw/zinc/47/26/23/840472623.db2.gz XEVSKLZQLPBGJH-CPUCHLNUSA-N 2 0 352.479 0.158 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082608360 840491591 /nfs/dbraw/zinc/49/15/91/840491591.db2.gz SZPICMZYGJLJKQ-VNQPRFMTSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513245 844544993 /nfs/dbraw/zinc/54/49/93/844544993.db2.gz BIGANFIBYAFNRN-NVXWUHKLSA-N 2 0 351.495 0.225 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515292 844546458 /nfs/dbraw/zinc/54/64/58/844546458.db2.gz NBIDYULHQLRCBC-KFWWJZLASA-N 2 0 350.463 0.453 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082719690 840535218 /nfs/dbraw/zinc/53/52/18/840535218.db2.gz DOFBETUIOJPGAO-RHSMWYFYSA-N 2 0 371.547 0.590 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082744186 840544581 /nfs/dbraw/zinc/54/45/81/840544581.db2.gz WTWHVHBFYTUKJB-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082860000 840586764 /nfs/dbraw/zinc/58/67/64/840586764.db2.gz TWUVUUGQBMJLTE-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923557 840605005 /nfs/dbraw/zinc/60/50/05/840605005.db2.gz PLSMNCWRQYRBIM-VNHYZAJKSA-N 2 0 367.519 0.751 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192426 840787058 /nfs/dbraw/zinc/78/70/58/840787058.db2.gz BCZXPJGVKCLTEA-RYQLBKOJSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579953 844575007 /nfs/dbraw/zinc/57/50/07/844575007.db2.gz YWBJGDUKZSFGCG-BRWVUGGUSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599240 844589791 /nfs/dbraw/zinc/58/97/91/844589791.db2.gz UYEZCTIIYNBJCN-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466250 841038220 /nfs/dbraw/zinc/03/82/20/841038220.db2.gz MNLVBHSEVHOXCS-KURKYZTESA-N 2 0 351.491 0.306 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519011 841115206 /nfs/dbraw/zinc/11/52/06/841115206.db2.gz ZJHFAXCRTNATAM-KURKYZTESA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522251 841119590 /nfs/dbraw/zinc/11/95/90/841119590.db2.gz ZNRHKHBQDYSMEG-JQHSSLGASA-N 2 0 353.507 0.695 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727377 841367716 /nfs/dbraw/zinc/36/77/16/841367716.db2.gz ZSBYTMMNCOLTBH-OWLYRPNTSA-N 2 0 353.507 0.695 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001083750351 841393786 /nfs/dbraw/zinc/39/37/86/841393786.db2.gz RVDLJDHNKNHVJS-FGTMMUONSA-N 2 0 353.507 0.695 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCCC1 ZINC001083959556 841604892 /nfs/dbraw/zinc/60/48/92/841604892.db2.gz YPWNVNRMYVPNMI-IKGGRYGDSA-N 2 0 351.491 0.449 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879212 861244693 /nfs/dbraw/zinc/24/46/93/861244693.db2.gz OUKZEMLSFMIVDC-SJLPKXTDSA-N 2 0 371.547 0.687 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275880143 861247679 /nfs/dbraw/zinc/24/76/79/861247679.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 2 0 352.523 0.441 20 0 FCADRP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084957735 841969663 /nfs/dbraw/zinc/96/96/63/841969663.db2.gz TYWCIVUDSBXODX-NXHRZFHOSA-N 2 0 351.491 0.545 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958321 841969928 /nfs/dbraw/zinc/96/99/28/841969928.db2.gz VOMUBWQCSBBBBH-IKGGRYGDSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1)[NH+](C)C ZINC001084964659 841972219 /nfs/dbraw/zinc/97/22/19/841972219.db2.gz KJQZYIICNVEKPE-HFTRVMKXSA-N 2 0 350.507 0.774 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001085352898 842082759 /nfs/dbraw/zinc/08/27/59/842082759.db2.gz CQQYTCGYBIWNEN-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001085423520 842098992 /nfs/dbraw/zinc/09/89/92/842098992.db2.gz UEDLNIUATQZKEP-BRWVUGGUSA-N 2 0 371.547 0.924 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086733888 842161354 /nfs/dbraw/zinc/16/13/54/842161354.db2.gz IYEILWZEWFUPLB-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086734168 842161854 /nfs/dbraw/zinc/16/18/54/842161854.db2.gz VYIGUBMYSDRKGL-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086873574 842186442 /nfs/dbraw/zinc/18/64/42/842186442.db2.gz OJTZKIMCEUCDTN-GVDBMIGSSA-N 2 0 350.507 0.825 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087035318 842231874 /nfs/dbraw/zinc/23/18/74/842231874.db2.gz WCFJDEXUELGSDO-QLFBSQMISA-N 2 0 367.519 0.894 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087100961 842290149 /nfs/dbraw/zinc/29/01/49/842290149.db2.gz NBSPDLIRLOAMNL-GDBMZVCRSA-N 2 0 351.451 0.427 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001087230680 842322161 /nfs/dbraw/zinc/32/21/61/842322161.db2.gz HXYPABIGVMZCMC-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)C1=O ZINC001087245806 842323622 /nfs/dbraw/zinc/32/36/22/842323622.db2.gz LPFMJEXKSYHSTR-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CC(=O)N(C)C ZINC001087620889 842379345 /nfs/dbraw/zinc/37/93/45/842379345.db2.gz ANCFMYHBUMLODX-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H](C(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2)[NH+](C)C ZINC001276049766 861303821 /nfs/dbraw/zinc/30/38/21/861303821.db2.gz ROBZEJNHNBKLHI-VNCLNFNDSA-N 2 0 350.507 0.822 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088106994 842533563 /nfs/dbraw/zinc/53/35/63/842533563.db2.gz APKRTEQFXGBXFU-CVEARBPZSA-N 2 0 350.507 0.587 20 0 FCADRP COC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154298 842546409 /nfs/dbraw/zinc/54/64/09/842546409.db2.gz GGYFIOAHZPKBBT-ZACQAIPSSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088860218 842697132 /nfs/dbraw/zinc/69/71/32/842697132.db2.gz ABHMFIHBHPBLAW-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001091735752 843085694 /nfs/dbraw/zinc/08/56/94/843085694.db2.gz WNBSVAQRGWFZPG-AYBZRNKSSA-N 2 0 351.491 0.402 20 0 FCADRP CC[C@H](CCC(=O)OC)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001276269792 861378876 /nfs/dbraw/zinc/37/88/76/861378876.db2.gz PYKIGHCCJMSSFF-OAHLLOKOSA-N 2 0 355.479 0.441 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985231 843134497 /nfs/dbraw/zinc/13/44/97/843134497.db2.gz MAAULHFPQJRJCU-BJZITVGISA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734728 843288574 /nfs/dbraw/zinc/28/85/74/843288574.db2.gz FRYNWTCJZXSEFJ-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001092907589 843338451 /nfs/dbraw/zinc/33/84/51/843338451.db2.gz RLLNCWXAWLVFHB-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120108 843393784 /nfs/dbraw/zinc/39/37/84/843393784.db2.gz BNXQPAGFKZEEAH-JKIFEVAISA-N 2 0 350.507 0.666 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195393 843403755 /nfs/dbraw/zinc/40/37/55/843403755.db2.gz PWRIWYQNVAMQIJ-DJIMGWMZSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093672787 843453674 /nfs/dbraw/zinc/45/36/74/843453674.db2.gz DHOZATZNTZHVNV-KFWWJZLASA-N 2 0 352.458 0.526 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093673346 843453871 /nfs/dbraw/zinc/45/38/71/843453871.db2.gz OGKCNKQSCHMROY-MGPQQGTHSA-N 2 0 351.451 0.494 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCNC3=O)[C@H](C)C2)CC1 ZINC001094143131 843522494 /nfs/dbraw/zinc/52/24/94/843522494.db2.gz HGRBRXIAAKRTMO-DJIMGWMZSA-N 2 0 350.507 0.679 20 0 FCADRP COCC[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276357504 861427829 /nfs/dbraw/zinc/42/78/29/861427829.db2.gz NCQLPSIGZYZQTN-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCO)CC3)C1 ZINC001094496860 843558451 /nfs/dbraw/zinc/55/84/51/843558451.db2.gz JWVVWHVOCARPTB-YQVWRLOYSA-N 2 0 353.507 0.839 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094497024 843558537 /nfs/dbraw/zinc/55/85/37/843558537.db2.gz LRSTZVAYCHSFKI-FRQCXROJSA-N 2 0 350.507 0.955 20 0 FCADRP COCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001276369579 861432897 /nfs/dbraw/zinc/43/28/97/861432897.db2.gz WFXNLLIZLQLPCZ-SFHVURJKSA-N 2 0 350.463 0.861 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010928 843955778 /nfs/dbraw/zinc/95/57/78/843955778.db2.gz QCILMCOZLMCYPY-QOKNQOGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780768 844646566 /nfs/dbraw/zinc/64/65/66/844646566.db2.gz NFEUNWLRWHAATP-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102977061 844677061 /nfs/dbraw/zinc/67/70/61/844677061.db2.gz KZTQNCKMGPAREV-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001102999841 844682336 /nfs/dbraw/zinc/68/23/36/844682336.db2.gz GDVRXSOVZZRMIK-OWCLPIDISA-N 2 0 351.495 0.513 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004970 844683131 /nfs/dbraw/zinc/68/31/31/844683131.db2.gz ILHIKMYEKXQVCV-QBPKDAKJSA-N 2 0 352.523 0.925 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103005013 844683520 /nfs/dbraw/zinc/68/35/20/844683520.db2.gz LCURXTAPEDWZNM-QBPKDAKJSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103142766 844707464 /nfs/dbraw/zinc/70/74/64/844707464.db2.gz BHQORNDXKOCDED-IXDOHACOSA-N 2 0 355.523 0.800 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368098 844744679 /nfs/dbraw/zinc/74/46/79/844744679.db2.gz ORFBHRDIIUVIOL-LTIDMASMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378868 844745687 /nfs/dbraw/zinc/74/56/87/844745687.db2.gz OQVPNVGISZVJOD-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570953 844783142 /nfs/dbraw/zinc/78/31/42/844783142.db2.gz NFGTUZJLRMQETL-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612614 844787359 /nfs/dbraw/zinc/78/73/59/844787359.db2.gz LYOBTEAAUPEQBH-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722473 844807005 /nfs/dbraw/zinc/80/70/05/844807005.db2.gz OQODCSLBUKNJAR-BRWVUGGUSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721626 844807372 /nfs/dbraw/zinc/80/73/72/844807372.db2.gz ZYAMMBDCUOSGFE-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755301 844816764 /nfs/dbraw/zinc/81/67/64/844816764.db2.gz AQCSOUOSUCFRSX-RBSFLKMASA-N 2 0 352.479 0.206 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103756863 844816984 /nfs/dbraw/zinc/81/69/84/844816984.db2.gz DQPISHMDLKNWPP-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103755438 844817302 /nfs/dbraw/zinc/81/73/02/844817302.db2.gz GZVOXBOFVYIQSC-HZPDHXFCSA-N 2 0 361.552 0.836 20 0 FCADRP CCOCCN1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629906 861505283 /nfs/dbraw/zinc/50/52/83/861505283.db2.gz COXBKHMRIFDXER-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CCOCCO ZINC001104202673 844876655 /nfs/dbraw/zinc/87/66/55/844876655.db2.gz KRPKNNNAURSVCW-NXHRZFHOSA-N 2 0 353.507 0.411 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@]3(C2)CN(CC(F)F)C(=O)CO3)CC1 ZINC001276636002 861507201 /nfs/dbraw/zinc/50/72/01/861507201.db2.gz GDFWMPJCDRLFGD-KRWDZBQOSA-N 2 0 360.449 0.192 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104265052 844886766 /nfs/dbraw/zinc/88/67/66/844886766.db2.gz QYTQQVPNOFHMOV-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291070 844891088 /nfs/dbraw/zinc/89/10/88/844891088.db2.gz IILUILDONVTXTI-KYJSFNMBSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291728 844891421 /nfs/dbraw/zinc/89/14/21/844891421.db2.gz SKMUHEGEBKXYGK-KYJSFNMBSA-N 2 0 352.523 0.925 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385250 844905294 /nfs/dbraw/zinc/90/52/94/844905294.db2.gz KLQMCJJPHQMGEM-ZACQAIPSSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001104599342 844924126 /nfs/dbraw/zinc/92/41/26/844924126.db2.gz AFWHSJSQWXITAZ-QLFBSQMISA-N 2 0 351.499 0.687 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001104595456 844924242 /nfs/dbraw/zinc/92/42/42/844924242.db2.gz SZYAYCREVILSEF-OWCLPIDISA-N 2 0 352.523 0.879 20 0 FCADRP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1C ZINC001104621176 844927231 /nfs/dbraw/zinc/92/72/31/844927231.db2.gz BKNWTWNZZCMCBX-HUUCEWRRSA-N 2 0 350.511 0.903 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001104641213 844928872 /nfs/dbraw/zinc/92/88/72/844928872.db2.gz FUGKYJJXWCIWKG-BRWVUGGUSA-N 2 0 350.511 0.939 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679693 844932533 /nfs/dbraw/zinc/93/25/33/844932533.db2.gz MRPWUCIUWULFNT-GVDBMIGSSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001104872528 844953692 /nfs/dbraw/zinc/95/36/92/844953692.db2.gz MISILSVMFQQHNY-QLFBSQMISA-N 2 0 351.499 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104895567 844957546 /nfs/dbraw/zinc/95/75/46/844957546.db2.gz AAOFVUFNSISANA-RHSMWYFYSA-N 2 0 350.507 0.668 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104908499 844958499 /nfs/dbraw/zinc/95/84/99/844958499.db2.gz ZJNMDVAVGGJGBW-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001104938347 844961278 /nfs/dbraw/zinc/96/12/78/844961278.db2.gz UVCDWKVIYYAEFU-RBSFLKMASA-N 2 0 351.499 0.687 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104938334 844961462 /nfs/dbraw/zinc/96/14/62/844961462.db2.gz UMELHSQSDDBSTJ-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001105007784 844968822 /nfs/dbraw/zinc/96/88/22/844968822.db2.gz GELQNXAKKLAJDK-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001105007832 844969010 /nfs/dbraw/zinc/96/90/10/844969010.db2.gz GRZOYOKHOHAHLQ-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105664157 845012905 /nfs/dbraw/zinc/01/29/05/845012905.db2.gz WXUPUXSECOBZDV-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105669553 845015720 /nfs/dbraw/zinc/01/57/20/845015720.db2.gz SOEPEWDRPINIFC-FPAYPSAMSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)CC[N@@H+]1C ZINC001106151408 845115137 /nfs/dbraw/zinc/11/51/37/845115137.db2.gz QYHSFIKTVLAWJD-WCXIOVBPSA-N 2 0 352.523 0.925 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106195998 845128829 /nfs/dbraw/zinc/12/88/29/845128829.db2.gz PEVAENQLESLCTN-TZMCWYRMSA-N 2 0 352.504 0.853 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1 ZINC001106199014 845130330 /nfs/dbraw/zinc/13/03/30/845130330.db2.gz WNERVUIOUCXLFG-RBSFLKMASA-N 2 0 354.474 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106244485 845142032 /nfs/dbraw/zinc/14/20/32/845142032.db2.gz MDPSWWJHUDUNRT-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106255552 845143987 /nfs/dbraw/zinc/14/39/87/845143987.db2.gz XLAXXOMHHGRNEA-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106308831 845151619 /nfs/dbraw/zinc/15/16/19/845151619.db2.gz CKXGDZSKAITPLE-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591455 845201112 /nfs/dbraw/zinc/20/11/12/845201112.db2.gz AOPPQPNJPUKVJD-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001106599417 845202229 /nfs/dbraw/zinc/20/22/29/845202229.db2.gz HGKYIMHRMIVTAQ-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001106600256 845202304 /nfs/dbraw/zinc/20/23/04/845202304.db2.gz WSPDAHQIKCGTLG-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)CS(C)(=O)=O ZINC001106600216 845202405 /nfs/dbraw/zinc/20/24/05/845202405.db2.gz UMTIBMHRTNLYAR-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1 ZINC001106599906 845202815 /nfs/dbraw/zinc/20/28/15/845202815.db2.gz QIEKTUGZLAUHRN-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621255 845206941 /nfs/dbraw/zinc/20/69/41/845206941.db2.gz ALKLQDMSRWSDDN-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001106626937 845208288 /nfs/dbraw/zinc/20/82/88/845208288.db2.gz ONJUWLVCDNRIAV-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001106626968 845208418 /nfs/dbraw/zinc/20/84/18/845208418.db2.gz POXLZWQQZJUVLE-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001106626369 845208780 /nfs/dbraw/zinc/20/87/80/845208780.db2.gz DXTALKXCOVAZRE-ZIAGYGMSSA-N 2 0 371.503 0.819 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)[NH+](C)C ZINC001106633548 845209855 /nfs/dbraw/zinc/20/98/55/845209855.db2.gz LVJQPWMOLXRVIB-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+](CC)CC ZINC001106660534 845216727 /nfs/dbraw/zinc/21/67/27/845216727.db2.gz RIFMUXPSCJWASW-KFWWJZLASA-N 2 0 351.499 0.515 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106665062 845219160 /nfs/dbraw/zinc/21/91/60/845219160.db2.gz GENALIOCMJKOJB-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001106666016 845219341 /nfs/dbraw/zinc/21/93/41/845219341.db2.gz DYVWNDGTDQBQIE-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666676 845219845 /nfs/dbraw/zinc/21/98/45/845219845.db2.gz QDFUOBRZJDXROX-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106672853 845221089 /nfs/dbraw/zinc/22/10/89/845221089.db2.gz MCYYFZCBKMPRQV-HUUCEWRRSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106779315 845250541 /nfs/dbraw/zinc/25/05/41/845250541.db2.gz INRYWXLMJDUEGU-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106840181 845265286 /nfs/dbraw/zinc/26/52/86/845265286.db2.gz BVXCNUPHUZMYNO-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001106840599 845265401 /nfs/dbraw/zinc/26/54/01/845265401.db2.gz WKDJFSAKBVAUKM-ZIAGYGMSSA-N 2 0 352.483 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106874922 845276483 /nfs/dbraw/zinc/27/64/83/845276483.db2.gz ZFAJGSMXRVYZSM-BFYDXBDKSA-N 2 0 350.507 0.539 20 0 FCADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878410 845277230 /nfs/dbraw/zinc/27/72/30/845277230.db2.gz POUSTLJPJGGILI-GDBMZVCRSA-N 2 0 351.495 0.491 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106899683 845281962 /nfs/dbraw/zinc/28/19/62/845281962.db2.gz HXFSPBSOLHNRTB-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001106909387 845284415 /nfs/dbraw/zinc/28/44/15/845284415.db2.gz HSXPLXLKPKDADB-HUUCEWRRSA-N 2 0 354.474 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106980765 845298466 /nfs/dbraw/zinc/29/84/66/845298466.db2.gz ARUCLFVMZWOXDR-FRRDWIJNSA-N 2 0 366.491 0.112 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107036676 845316110 /nfs/dbraw/zinc/31/61/10/845316110.db2.gz PCRMUFANWZNQRT-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107036865 845317135 /nfs/dbraw/zinc/31/71/35/845317135.db2.gz TZLIEFUUJZYRAX-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001107042465 845318437 /nfs/dbraw/zinc/31/84/37/845318437.db2.gz NMTLOAAADPFXDW-HLLBOEOZSA-N 2 0 352.523 0.925 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329327 845351946 /nfs/dbraw/zinc/35/19/46/845351946.db2.gz QKHBWAZIDBUWQG-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438757 845372893 /nfs/dbraw/zinc/37/28/93/845372893.db2.gz IFKKWETZRCJLDF-SZVBFZGTSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449648 845375750 /nfs/dbraw/zinc/37/57/50/845375750.db2.gz RFHDCEUBVSXXOB-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC1CC1)CC2 ZINC001107614406 845409126 /nfs/dbraw/zinc/40/91/26/845409126.db2.gz AIZXBTMJNSOFLI-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109932909 845763269 /nfs/dbraw/zinc/76/32/69/845763269.db2.gz YOWZSYRXWUGRTC-IKGGRYGDSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001276801293 861616111 /nfs/dbraw/zinc/61/61/11/861616111.db2.gz YSRFELZEMRKSSO-HZPDHXFCSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001276795650 861613225 /nfs/dbraw/zinc/61/32/25/861613225.db2.gz NXULPMPAMILYDL-BZUAXINKSA-N 2 0 350.463 0.989 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111766944 846196136 /nfs/dbraw/zinc/19/61/36/846196136.db2.gz JLAQVQWONFHJKF-JZXOWHBKSA-N 2 0 359.486 0.646 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001111864241 846235699 /nfs/dbraw/zinc/23/56/99/846235699.db2.gz GSGHSGWRMKJJEK-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001111864314 846236238 /nfs/dbraw/zinc/23/62/38/846236238.db2.gz KDKBWWVJEJVKMS-FCEWJHQRSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111910187 846257964 /nfs/dbraw/zinc/25/79/64/846257964.db2.gz SBCWWMZNYKCDEZ-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001111927829 846263157 /nfs/dbraw/zinc/26/31/57/846263157.db2.gz PKYXESOWHIBZDJ-YJBOKZPZSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001111949123 846271985 /nfs/dbraw/zinc/27/19/85/846271985.db2.gz OQBQGCNMKWJCGI-BXWFABGCSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCN(C)C1=O)C2 ZINC001111950796 846272995 /nfs/dbraw/zinc/27/29/95/846272995.db2.gz ALOSEARUMIYJGZ-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@]12CC[NH+](C1)CCC2 ZINC001111958139 846274470 /nfs/dbraw/zinc/27/44/70/846274470.db2.gz FGJMXRTZUMOGJC-WDSOQIARSA-N 2 0 351.491 0.452 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001112009885 846295205 /nfs/dbraw/zinc/29/52/05/846295205.db2.gz YOUXNXVLYHSMTB-BXWFABGCSA-N 2 0 350.507 0.918 20 0 FCADRP CCOC(=O)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276887877 861669791 /nfs/dbraw/zinc/66/97/91/861669791.db2.gz IOYVSTSBOACWGM-GOSISDBHSA-N 2 0 353.463 0.732 20 0 FCADRP CC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899106 861676346 /nfs/dbraw/zinc/67/63/46/861676346.db2.gz GAEMXQXXSSTGKH-VQIMIIECSA-N 2 0 350.507 0.526 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112182308 846443262 /nfs/dbraw/zinc/44/32/62/846443262.db2.gz ZVWGEOJXNZYYLQ-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112184746 846444875 /nfs/dbraw/zinc/44/48/75/846444875.db2.gz DDTRUFOGZMBLOL-ZIAGYGMSSA-N 2 0 367.412 0.723 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112190343 846450470 /nfs/dbraw/zinc/45/04/70/846450470.db2.gz WYPDDXHIXHGTDX-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112193344 846452829 /nfs/dbraw/zinc/45/28/29/846452829.db2.gz WCYOQTKKFXQKEC-MGPQQGTHSA-N 2 0 367.412 0.316 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112195292 846454213 /nfs/dbraw/zinc/45/42/13/846454213.db2.gz RZRLYAJFHCDSOX-ZIAGYGMSSA-N 2 0 369.428 0.706 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112198106 846455284 /nfs/dbraw/zinc/45/52/84/846455284.db2.gz AWDNJRCIEAEBAW-JHJVBQTASA-N 2 0 366.428 0.784 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001112198133 846456440 /nfs/dbraw/zinc/45/64/40/846456440.db2.gz CJASVIBUDSYTNC-IJLUTSLNSA-N 2 0 352.401 0.571 20 0 FCADRP CC(=O)[C@@H](C)N1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901312 861679794 /nfs/dbraw/zinc/67/97/94/861679794.db2.gz PLOVKPRWTPFTLM-APWZRJJASA-N 2 0 350.507 0.668 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112349978 846495851 /nfs/dbraw/zinc/49/58/51/846495851.db2.gz CNQZHMPJLZHCDT-BXWFABGCSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112378717 846498141 /nfs/dbraw/zinc/49/81/41/846498141.db2.gz APFUZKFAXKESFT-MPGHIAIKSA-N 2 0 356.486 0.631 20 0 FCADRP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2)C(N)=O ZINC001112396824 846501280 /nfs/dbraw/zinc/50/12/80/846501280.db2.gz GMIHQLBAFDZQOE-MPGHIAIKSA-N 2 0 350.507 0.953 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401781 846502286 /nfs/dbraw/zinc/50/22/86/846502286.db2.gz XUHJFZLZBNJEAG-KXBFYZLASA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001112523094 846514335 /nfs/dbraw/zinc/51/43/35/846514335.db2.gz CBZNIFNESKLQIM-BQFCYCMXSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112529711 846515926 /nfs/dbraw/zinc/51/59/26/846515926.db2.gz LQVMFDHYUWPILG-RYRKJORJSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112566128 846525298 /nfs/dbraw/zinc/52/52/98/846525298.db2.gz MBUDCQDVJDBNRY-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP CS(=O)(=O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578827 846528881 /nfs/dbraw/zinc/52/88/81/846528881.db2.gz IVDDBHPWDNZKNP-WMZOPIPTSA-N 2 0 371.547 0.735 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC001117705603 847151792 /nfs/dbraw/zinc/15/17/92/847151792.db2.gz XVYAMMWICYMQIE-INIZCTEOSA-N 2 0 354.495 0.997 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001118149323 847297114 /nfs/dbraw/zinc/29/71/14/847297114.db2.gz CWGQYCSLYMRTFP-SJLPKXTDSA-N 2 0 351.491 0.940 20 0 FCADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)n1 ZINC001118289090 847364015 /nfs/dbraw/zinc/36/40/15/847364015.db2.gz SBOMWWWADZNNSV-HNNXBMFYSA-N 2 0 352.483 0.190 20 0 FCADRP [NH3+]CCc1nc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC001119377700 847827936 /nfs/dbraw/zinc/82/79/36/847827936.db2.gz RETXKCIRDCFEHV-AWEZNQCLSA-N 2 0 367.519 0.171 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001120507164 848226188 /nfs/dbraw/zinc/22/61/88/848226188.db2.gz HQSIYRVAPXVJIG-GOSISDBHSA-N 2 0 351.495 0.467 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120545221 848238370 /nfs/dbraw/zinc/23/83/70/848238370.db2.gz HEJIUEMYZASUHD-QLFBSQMISA-N 3 0 357.449 0.594 20 0 FCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120545222 848238624 /nfs/dbraw/zinc/23/86/24/848238624.db2.gz HEJIUEMYZASUHD-ZNMIVQPWSA-N 3 0 357.449 0.594 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001120589560 848249026 /nfs/dbraw/zinc/24/90/26/848249026.db2.gz POQLCBLABXITEU-YJBOKZPZSA-N 2 0 369.531 0.739 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001120670772 848268015 /nfs/dbraw/zinc/26/80/15/848268015.db2.gz MLLVMKOPUYOINT-HZPDHXFCSA-N 2 0 351.495 0.372 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCC[NH+]2C)CC1=O ZINC001120810731 848286959 /nfs/dbraw/zinc/28/69/59/848286959.db2.gz VHTZKZCQISNBDR-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001121925748 848418787 /nfs/dbraw/zinc/41/87/87/848418787.db2.gz DUHZMPNLGMAWCF-SFHVURJKSA-N 2 0 352.479 0.891 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCSCCC[NH3+])CC1 ZINC001122127289 848451613 /nfs/dbraw/zinc/45/16/13/848451613.db2.gz AQFUKKVJLUHAOY-UHFFFAOYSA-N 2 0 356.536 0.791 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127701704 848732922 /nfs/dbraw/zinc/73/29/22/848732922.db2.gz WQIFTTYUIZBEMQ-YNEHKIRRSA-N 2 0 364.412 0.586 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407557 848841225 /nfs/dbraw/zinc/84/12/25/848841225.db2.gz QDEHOUGWQYQALP-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684254 848881725 /nfs/dbraw/zinc/88/17/25/848881725.db2.gz GPWFUHSTPMNGPP-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895628 848909754 /nfs/dbraw/zinc/90/97/54/848909754.db2.gz GDQFXTUHDOFIKW-IMJJTQAJSA-N 2 0 350.467 0.139 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983222 848926629 /nfs/dbraw/zinc/92/66/29/848926629.db2.gz RZILOIGJVUAPBX-ZNMIVQPWSA-N 2 0 352.458 0.710 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991959 848927449 /nfs/dbraw/zinc/92/74/49/848927449.db2.gz FCDBRQPROYILQS-BMFZPTHFSA-N 2 0 352.458 0.710 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129994633 848927781 /nfs/dbraw/zinc/92/77/81/848927781.db2.gz YUNRVCHCGGQDSG-JZDAOAOOSA-N 2 0 354.886 0.958 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994192 848928018 /nfs/dbraw/zinc/92/80/18/848928018.db2.gz AHACRGDWYHDSRR-OWCLPIDISA-N 2 0 352.483 0.242 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130096983 848944476 /nfs/dbraw/zinc/94/44/76/848944476.db2.gz WZWYKIUJDRQVON-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001130293322 848997059 /nfs/dbraw/zinc/99/70/59/848997059.db2.gz UMFAEABAAKKOAA-BPQIPLTHSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669835 849024988 /nfs/dbraw/zinc/02/49/88/849024988.db2.gz JZVFFUXYWYIXCZ-DOTOQJQBSA-N 2 0 351.495 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130695303 849027308 /nfs/dbraw/zinc/02/73/08/849027308.db2.gz MGIDGZOXAAOASN-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130734278 849030909 /nfs/dbraw/zinc/03/09/09/849030909.db2.gz MRVUVRVWKSAAHC-DOTOQJQBSA-N 2 0 351.495 0.681 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130805161 849046723 /nfs/dbraw/zinc/04/67/23/849046723.db2.gz VUTJWKOMSYZKDE-UONOGXRCSA-N 2 0 352.483 0.838 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131091438 849078747 /nfs/dbraw/zinc/07/87/47/849078747.db2.gz HVWIPCKMZXZVBE-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130346 849081950 /nfs/dbraw/zinc/08/19/50/849081950.db2.gz HQCJIAANLLLOKC-BZUAXINKSA-N 2 0 351.495 0.679 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131313383 849094851 /nfs/dbraw/zinc/09/48/51/849094851.db2.gz QAQIEVPMJZVWII-XHSDSOJGSA-N 2 0 350.463 0.454 20 0 FCADRP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313265 849095364 /nfs/dbraw/zinc/09/53/64/849095364.db2.gz MGODPFSDYFIGNZ-XHSDSOJGSA-N 2 0 352.479 0.700 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)CCC1 ZINC001131511989 849116262 /nfs/dbraw/zinc/11/62/62/849116262.db2.gz GXYDBJQXTSPJQO-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCF)CC1 ZINC001131593352 849128500 /nfs/dbraw/zinc/12/85/00/849128500.db2.gz ZWJJLAGUXSOHMJ-AEFFLSMTSA-N 2 0 359.486 0.910 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131592959 849128657 /nfs/dbraw/zinc/12/86/57/849128657.db2.gz FBOIQUGWIGUDHO-WDYCEAGBSA-N 2 0 353.507 0.960 20 0 FCADRP CC[N@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484672 849748800 /nfs/dbraw/zinc/74/88/00/849748800.db2.gz FOWUEFFZPBMLNF-BFYDXBDKSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C1CCCC1 ZINC001154888755 849819294 /nfs/dbraw/zinc/81/92/94/849819294.db2.gz GMRPOCJXUNAOOO-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1c[nH]c2ncc(Br)nc12 ZINC001156785597 849927798 /nfs/dbraw/zinc/92/77/98/849927798.db2.gz YKJXMWRUFXROON-UHFFFAOYSA-N 2 0 354.212 0.795 20 0 FCADRP [NH2+]=C(NCCCC[NH3+])Nc1nc2scnc2c(N2CCOCC2)n1 ZINC001157094837 849946070 /nfs/dbraw/zinc/94/60/70/849946070.db2.gz XDPHVWANCQSWDY-UHFFFAOYSA-N 2 0 350.452 0.598 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCNC(=O)C(F)(F)Br ZINC001157435283 849971368 /nfs/dbraw/zinc/97/13/68/849971368.db2.gz XDIBQBAFSCQDAB-QMMMGPOBSA-N 2 0 359.215 0.053 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3nc(Cl)ncc3C(N)=O)CC2)CC1 ZINC001157837250 849998452 /nfs/dbraw/zinc/99/84/52/849998452.db2.gz QSJYEHOPSGLTNE-UHFFFAOYSA-N 2 0 352.870 0.693 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cn3)CC2)CC1 ZINC001157838036 849999601 /nfs/dbraw/zinc/99/96/01/849999601.db2.gz OTPDIPPVCMOYRD-UHFFFAOYSA-N 2 0 353.492 0.193 20 0 FCADRP CCS(=O)(=O)N(c1cccc(N2CCC([NH3+])CC2)n1)C1CC[NH2+]CC1 ZINC001157896775 850002539 /nfs/dbraw/zinc/00/25/39/850002539.db2.gz MTPQLWCRXXVJHH-UHFFFAOYSA-N 2 0 367.519 0.917 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC001157916394 850004957 /nfs/dbraw/zinc/00/49/57/850004957.db2.gz WJQVKYTTWNRMPE-UHFFFAOYSA-N 2 0 366.491 0.850 20 0 FCADRP O=C(c1csc([C@@H]2CCC[NH2+]2)n1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120255 850020097 /nfs/dbraw/zinc/02/00/97/850020097.db2.gz MPKKZJYCZSTRCR-APPDUMDISA-N 2 0 361.471 0.119 20 0 FCADRP CCN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001158201242 850023674 /nfs/dbraw/zinc/02/36/74/850023674.db2.gz VUPVGWXNJQCYQJ-GFCCVEGCSA-N 2 0 353.492 0.147 20 0 FCADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001158282663 850034046 /nfs/dbraw/zinc/03/40/46/850034046.db2.gz UWLCPLYEKRWENM-PMPSAXMXSA-N 2 0 354.495 0.093 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001158381152 850042370 /nfs/dbraw/zinc/04/23/70/850042370.db2.gz YRZMAEXWOJIVIH-IIAWOOMASA-N 2 0 350.463 0.720 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CCCC1)C2 ZINC001158381508 850042757 /nfs/dbraw/zinc/04/27/57/850042757.db2.gz HKWKPDAFUGKRCQ-DZGCQCFKSA-N 2 0 363.380 0.802 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[NH+](CC)CC)C2 ZINC001158384067 850043623 /nfs/dbraw/zinc/04/36/23/850043623.db2.gz QETXTEKCLQHRTM-GJZGRUSLSA-N 2 0 365.396 0.872 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC001158385337 850045011 /nfs/dbraw/zinc/04/50/11/850045011.db2.gz WALVADAFGGJQGR-TUKIKUTGSA-N 2 0 363.380 0.672 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001158396662 850046605 /nfs/dbraw/zinc/04/66/05/850046605.db2.gz CLMLSWFPWIVENF-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001158413162 850048826 /nfs/dbraw/zinc/04/88/26/850048826.db2.gz WSSKWCNCTSLCOR-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C[C@H]2CF)CC1 ZINC001158568221 850060655 /nfs/dbraw/zinc/06/06/55/850060655.db2.gz NOUZBLLGDPTNCR-BFYDXBDKSA-N 3 0 352.498 0.986 20 0 FCADRP [NH3+]C1([C@H]2CN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C[C@H]2CF)CC1 ZINC001158579413 850061960 /nfs/dbraw/zinc/06/19/60/850061960.db2.gz SKXKXWBDENSBOV-NEPJUHHUSA-N 2 0 353.467 0.702 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158738681 850071353 /nfs/dbraw/zinc/07/13/53/850071353.db2.gz QOZORAZCUKMAGS-VGWMRTNUSA-N 2 0 366.487 0.238 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1CCC(C[NH3+])CC1 ZINC001158734847 850071522 /nfs/dbraw/zinc/07/15/22/850071522.db2.gz GLKRFAPYTRKNAN-UHFFFAOYSA-N 2 0 370.475 0.374 20 0 FCADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734593 850072120 /nfs/dbraw/zinc/07/21/20/850072120.db2.gz DBZBXRFBQYDNEJ-JQWIXIFHSA-N 2 0 358.464 0.372 20 0 FCADRP CCCCC[C@H]([NH2+]C)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735568 850072151 /nfs/dbraw/zinc/07/21/51/850072151.db2.gz VLNRMQTZKPFWEJ-ZDUSSCGKSA-N 2 0 372.491 0.777 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810616 850077345 /nfs/dbraw/zinc/07/73/45/850077345.db2.gz JBIGDLGEYVUIPV-CAOSSQGBSA-N 2 0 352.479 0.071 20 0 FCADRP [NH3+]CCCNCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903086 850083494 /nfs/dbraw/zinc/08/34/94/850083494.db2.gz MGOUMZHTYPZGMZ-CXAGYDPISA-N 2 0 351.426 0.013 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158890798 850083876 /nfs/dbraw/zinc/08/38/76/850083876.db2.gz NFZYPZUSPDKBFU-RVSPLBMKSA-N 3 0 351.426 0.141 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160918 850098253 /nfs/dbraw/zinc/09/82/53/850098253.db2.gz VRHHZXZPRDWKIA-CDEUHXGRSA-N 2 0 359.536 0.621 20 0 FCADRP Nc1ncn(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159396809 850110910 /nfs/dbraw/zinc/11/09/10/850110910.db2.gz OJEDDMLQSRLWSI-OPDFLTKYSA-N 2 0 364.881 0.355 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853937 850141420 /nfs/dbraw/zinc/14/14/20/850141420.db2.gz CJTSXNBCOLNEIF-UAGQMJEPSA-N 3 0 350.438 0.556 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160190442 850157439 /nfs/dbraw/zinc/15/74/39/850157439.db2.gz AJXGJOAUTQOBSP-MPTYRVRUSA-N 2 0 350.507 0.857 20 0 FCADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCO2 ZINC001160179993 850157669 /nfs/dbraw/zinc/15/76/69/850157669.db2.gz QKXRELBWMZTBQK-FUHWJXTLSA-N 2 0 354.495 0.286 20 0 FCADRP CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1=O ZINC001160427674 850172673 /nfs/dbraw/zinc/17/26/73/850172673.db2.gz LVNYFUISTYGOBP-KBPBESRZSA-N 2 0 351.447 0.231 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001160455074 850173884 /nfs/dbraw/zinc/17/38/84/850173884.db2.gz YYIMNMKFZRNMMK-OAHLLOKOSA-N 2 0 357.520 0.201 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478254 850175047 /nfs/dbraw/zinc/17/50/47/850175047.db2.gz OBMDKYCWHLGQCN-VIFPVBQESA-N 2 0 366.413 0.662 20 0 FCADRP CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160476681 850175078 /nfs/dbraw/zinc/17/50/78/850175078.db2.gz KHVVKSDXISWROX-ZFWWWQNUSA-N 2 0 354.495 0.317 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506308 850177629 /nfs/dbraw/zinc/17/76/29/850177629.db2.gz LVUYPBGNKABFHE-JKSUJKDBSA-N 2 0 354.495 0.286 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001160548770 850180639 /nfs/dbraw/zinc/18/06/39/850180639.db2.gz LDMCCTXZEUKYEC-GFCCVEGCSA-N 2 0 350.385 0.107 20 0 FCADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160746474 850196462 /nfs/dbraw/zinc/19/64/62/850196462.db2.gz JTIOJYSSARZIOO-LSDHHAIUSA-N 2 0 352.479 0.004 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CCSC34C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160810759 850199461 /nfs/dbraw/zinc/19/94/61/850199461.db2.gz DZSFZJKMDSUSKJ-DVOMOZLQSA-N 2 0 353.488 0.083 20 0 FCADRP Nc1ccc(Br)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160846490 850202667 /nfs/dbraw/zinc/20/26/67/850202667.db2.gz IAOUSOGJTIZHSB-LBPRGKRZSA-N 2 0 365.275 0.725 20 0 FCADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152667 850234905 /nfs/dbraw/zinc/23/49/05/850234905.db2.gz QMMZVKXLQFTGEV-JQWIXIFHSA-N 2 0 359.352 0.303 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001161158105 850236086 /nfs/dbraw/zinc/23/60/86/850236086.db2.gz POKONSZGLHMEFW-MRXNPFEDSA-N 2 0 351.447 0.661 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001161158543 850236101 /nfs/dbraw/zinc/23/61/01/850236101.db2.gz WNNJNLCGZITSMZ-OAHLLOKOSA-N 3 0 354.495 0.191 20 0 FCADRP O=C([C@@H]1[C@@H]2C[NH2+]C[C@@H]21)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196504 850239074 /nfs/dbraw/zinc/23/90/74/850239074.db2.gz KFVXIVWMJQGAQL-BCDXTJNWSA-N 2 0 350.507 0.002 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161230972 850241393 /nfs/dbraw/zinc/24/13/93/850241393.db2.gz AKNIFTYNAOTVKO-YTFOTSKYSA-N 2 0 358.552 0.807 20 0 FCADRP O=C(N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161238261 850242596 /nfs/dbraw/zinc/24/25/96/850242596.db2.gz RYEMDBFRXKNVHS-DDUZABMNSA-N 2 0 362.861 0.539 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001161238013 850242816 /nfs/dbraw/zinc/24/28/16/850242816.db2.gz QADJSQYLLOUXMT-STQMWFEESA-N 2 0 356.879 0.359 20 0 FCADRP O=C(N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161238262 850242860 /nfs/dbraw/zinc/24/28/60/850242860.db2.gz RYEMDBFRXKNVHS-QIIPPGSGSA-N 2 0 362.861 0.539 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321821 850252372 /nfs/dbraw/zinc/25/23/72/850252372.db2.gz QBNKMLVPDZZWQS-SRABZTEZSA-N 2 0 353.463 0.415 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380367 850255925 /nfs/dbraw/zinc/25/59/25/850255925.db2.gz VEKREKGCZZTULU-SJORKVTESA-N 2 0 352.429 0.859 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161414662 850258605 /nfs/dbraw/zinc/25/86/05/850258605.db2.gz YIPPTFMLMGZFCW-KXNHARMFSA-N 2 0 350.385 0.358 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161447718 850259452 /nfs/dbraw/zinc/25/94/52/850259452.db2.gz YMGFTBDEWJXODM-YQVWRLOYSA-N 3 0 352.523 0.677 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1csc([C@@H]3CCC[NH2+]3)n1)CC2 ZINC001161477328 850261836 /nfs/dbraw/zinc/26/18/36/850261836.db2.gz DYYFNKOGJXLNAT-BNLOLNQZSA-N 2 0 364.471 0.935 20 0 FCADRP C[NH2+][C@H](C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479636 850262681 /nfs/dbraw/zinc/26/26/81/850262681.db2.gz QFSROTBERLRTHM-COJSNBRMSA-N 2 0 355.479 0.532 20 0 FCADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001161488803 850263288 /nfs/dbraw/zinc/26/32/88/850263288.db2.gz OAQJTAMSGKRIEK-SMDDNHRTSA-N 2 0 352.401 0.750 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001161488801 850263333 /nfs/dbraw/zinc/26/33/33/850263333.db2.gz OAQJTAMSGKRIEK-FZMZJTMJSA-N 2 0 352.401 0.750 20 0 FCADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162283278 850306291 /nfs/dbraw/zinc/30/62/91/850306291.db2.gz UQAJDOFGBOWHJO-RBSFLKMASA-N 2 0 354.495 0.045 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001162725026 850328312 /nfs/dbraw/zinc/32/83/12/850328312.db2.gz IHSQRPOQPLBEBS-CQSZACIVSA-N 2 0 350.467 0.429 20 0 FCADRP CCOC(=O)c1cnc([S@](C)=O)nc1NC(=[NH2+])NCC[NH+](CC)CC ZINC001163129412 850357240 /nfs/dbraw/zinc/35/72/40/850357240.db2.gz WVLUHZVLUJDBHE-VWLOTQADSA-N 2 0 370.479 0.669 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833408 862121240 /nfs/dbraw/zinc/12/12/40/862121240.db2.gz DRGAXZBUOGGLFK-HKUYNNGSSA-N 3 0 354.539 0.708 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834959 862122804 /nfs/dbraw/zinc/12/28/04/862122804.db2.gz KBIGVAOFTMSMKN-FUHWJXTLSA-N 2 0 350.463 0.802 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835810 862123352 /nfs/dbraw/zinc/12/33/52/862123352.db2.gz MHBXCVKXFCQARJ-SJORKVTESA-N 2 0 354.539 0.469 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001164242866 850399639 /nfs/dbraw/zinc/39/96/39/850399639.db2.gz SKNDWDJHSQGUQX-QGZVFWFLSA-N 2 0 367.519 0.524 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N1CC[C@H]([NH3+])C1 ZINC001164279625 850401669 /nfs/dbraw/zinc/40/16/69/850401669.db2.gz SEOWJYSFSIZRRF-ZFWWWQNUSA-N 2 0 350.463 0.725 20 0 FCADRP C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164456464 850411652 /nfs/dbraw/zinc/41/16/52/850411652.db2.gz ODNDXCUYCZWODR-VXGBXAGGSA-N 2 0 353.492 0.132 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001164575557 850417823 /nfs/dbraw/zinc/41/78/23/850417823.db2.gz ACJLJWAMNRQUID-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001164578798 850417835 /nfs/dbraw/zinc/41/78/35/850417835.db2.gz SCUWJTWQWIOKRQ-JKSUJKDBSA-N 2 0 350.507 0.871 20 0 FCADRP Clc1nc2c(c(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n1)CC[NH2+]C2 ZINC001165343923 850435451 /nfs/dbraw/zinc/43/54/51/850435451.db2.gz LXRBAHRMTJPQOR-INIZCTEOSA-N 2 0 353.854 0.361 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cnns3)CC2)O1 ZINC001165728238 850453891 /nfs/dbraw/zinc/45/38/91/850453891.db2.gz NQHAJPBJOUQFJJ-TZMCWYRMSA-N 2 0 353.492 0.633 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3csnn3)CC2)O1 ZINC001165728084 850454057 /nfs/dbraw/zinc/45/40/57/850454057.db2.gz MWRHSSYYJFNIJB-TZMCWYRMSA-N 2 0 353.492 0.633 20 0 FCADRP CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nccc(N2CC[NH2+]CC2)n1 ZINC001166409844 850476588 /nfs/dbraw/zinc/47/65/88/850476588.db2.gz BQJVAFSHQPJBOT-UHFFFAOYSA-N 2 0 362.459 0.443 20 0 FCADRP CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001167880573 850560407 /nfs/dbraw/zinc/56/04/07/850560407.db2.gz PDEJMJHXKHQYPX-UHFFFAOYSA-N 2 0 362.887 0.912 20 0 FCADRP CS(=O)(=O)N1CC(Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001168226024 850578035 /nfs/dbraw/zinc/57/80/35/850578035.db2.gz YDBWBFMQDPJUBA-UHFFFAOYSA-N 2 0 352.504 0.913 20 0 FCADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001168323161 850581973 /nfs/dbraw/zinc/58/19/73/850581973.db2.gz SLMWFKAMRFTLLO-NHHFINERSA-N 2 0 351.491 0.807 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2C1 ZINC001169140598 850607404 /nfs/dbraw/zinc/60/74/04/850607404.db2.gz SRYFIMHIDZIUGN-ALYAQQCSSA-N 2 0 356.536 0.672 20 0 FCADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181414 850608887 /nfs/dbraw/zinc/60/88/87/850608887.db2.gz PDZJZQKJSJHUCW-STQMWFEESA-N 2 0 350.467 0.177 20 0 FCADRP C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170110709 850645730 /nfs/dbraw/zinc/64/57/30/850645730.db2.gz ZYYMFKDFHNUCCS-MSOLQXFVSA-N 2 0 362.511 0.806 20 0 FCADRP CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1NCCOCCOCC[NH3+] ZINC001170507900 850656216 /nfs/dbraw/zinc/65/62/16/850656216.db2.gz LVTBLCKGEMVEAR-UHFFFAOYSA-N 2 0 353.467 0.929 20 0 FCADRP C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862239 850667535 /nfs/dbraw/zinc/66/75/35/850667535.db2.gz KBXQFSBXSKCBNY-BFHYXJOUSA-N 2 0 352.483 0.213 20 0 FCADRP CC(=O)NC[C@H]1CN(c2ccc(N[C@@H]([NH3+])CCC[NH3+])c(F)c2)C(=O)O1 ZINC001170900627 850669770 /nfs/dbraw/zinc/66/97/70/850669770.db2.gz MTYNKOORMXEOII-SWLSCSKDSA-N 2 0 353.398 0.723 20 0 FCADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173568057 850728214 /nfs/dbraw/zinc/72/82/14/850728214.db2.gz ONWQCFOQTFGKHU-MUJYYYPQSA-N 2 0 356.463 0.818 20 0 FCADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1C ZINC001178522652 850904905 /nfs/dbraw/zinc/90/49/05/850904905.db2.gz NTZSNTSJHRSIIQ-RBSFLKMASA-N 2 0 351.499 0.878 20 0 FCADRP C[NH+]1CCC(C)(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001181985479 851144331 /nfs/dbraw/zinc/14/43/31/851144331.db2.gz FNASILKMROMLBT-UHFFFAOYSA-N 2 0 370.475 0.340 20 0 FCADRP CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001183310241 851242684 /nfs/dbraw/zinc/24/26/84/851242684.db2.gz SPTYTPCMFLXAAQ-NSHDSACASA-N 2 0 355.439 0.273 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001183379590 851246048 /nfs/dbraw/zinc/24/60/48/851246048.db2.gz NTNJRIOGDJNQIO-AKAXFMLLSA-N 2 0 366.487 0.273 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189055034 851746580 /nfs/dbraw/zinc/74/65/80/851746580.db2.gz MXZDMOBESORMFC-LSDHHAIUSA-N 2 0 353.511 0.569 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544712 851799987 /nfs/dbraw/zinc/79/99/87/851799987.db2.gz SFIROCPSGJZYKM-XYJFISCASA-N 2 0 353.507 0.791 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787046 851823778 /nfs/dbraw/zinc/82/37/78/851823778.db2.gz LMMMWRCJBXBYFN-IXDOHACOSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001189811134 851827078 /nfs/dbraw/zinc/82/70/78/851827078.db2.gz SJSFHSJNFLSCDP-GVDBMIGSSA-N 2 0 353.507 0.912 20 0 FCADRP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190222051 851878584 /nfs/dbraw/zinc/87/85/84/851878584.db2.gz YIHLUEBTZWTHQF-KSZLIROESA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001190237454 851881359 /nfs/dbraw/zinc/88/13/59/851881359.db2.gz CHGSFCMFARUWTP-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370268 851897693 /nfs/dbraw/zinc/89/76/93/851897693.db2.gz AOTPFGCQUHWAMA-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481598 851912098 /nfs/dbraw/zinc/91/20/98/851912098.db2.gz XFHZRRPUZRIAHL-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278457704 862334660 /nfs/dbraw/zinc/33/46/60/862334660.db2.gz MUSODTQTBOESHX-GOSISDBHSA-N 2 0 354.495 0.158 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278462875 862337623 /nfs/dbraw/zinc/33/76/23/862337623.db2.gz AAWYMFPYIOYCIM-GVDBMIGSSA-N 2 0 350.507 0.097 20 0 FCADRP CCC1(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)COC1 ZINC001278473758 862345139 /nfs/dbraw/zinc/34/51/39/862345139.db2.gz AUEVHQPPUQMGOI-IBGZPJMESA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024401 852339748 /nfs/dbraw/zinc/33/97/48/852339748.db2.gz PRTANFZTCKVJBF-RCCFBDPRSA-N 2 0 353.507 0.552 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447364 852429392 /nfs/dbraw/zinc/42/93/92/852429392.db2.gz PKIKIYLWVPTUIG-GVDBMIGSSA-N 2 0 359.486 0.644 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194244698 852564210 /nfs/dbraw/zinc/56/42/10/852564210.db2.gz WNAIPDXGMIJNRN-IXDOHACOSA-N 2 0 355.523 0.819 20 0 FCADRP O=C(CCn1ccnc1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001195149010 852714853 /nfs/dbraw/zinc/71/48/53/852714853.db2.gz GVVQTZVKFLESEO-IXDOHACOSA-N 2 0 350.463 0.376 20 0 FCADRP Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)s1 ZINC001195654076 852805499 /nfs/dbraw/zinc/80/54/99/852805499.db2.gz LUIWJMOOJNGUHU-ZIAGYGMSSA-N 2 0 352.504 0.763 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169114 852904349 /nfs/dbraw/zinc/90/43/49/852904349.db2.gz OSLRDCNJXCVMIK-BFHYXJOUSA-N 2 0 367.412 0.601 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197049361 853053399 /nfs/dbraw/zinc/05/33/99/853053399.db2.gz MVQVZVHUIAASLI-CHWSQXEVSA-N 2 0 355.401 0.459 20 0 FCADRP C[N@@H+]1CCCN(Cc2cccc(C(=O)N(CC[NH3+])S(C)(=O)=O)c2)CC1 ZINC001197495417 853123493 /nfs/dbraw/zinc/12/34/93/853123493.db2.gz HRVSCHZXSBRREQ-UHFFFAOYSA-N 2 0 368.503 0.185 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644705 853144377 /nfs/dbraw/zinc/14/43/77/853144377.db2.gz PPBCNRVHXWBBCR-QZTJIDSGSA-N 2 0 353.507 0.696 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197724023 853153324 /nfs/dbraw/zinc/15/33/24/853153324.db2.gz MWMLIOXIMDHGNA-IAGOWNOFSA-N 2 0 359.511 0.059 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1O ZINC001197826220 853168615 /nfs/dbraw/zinc/16/86/15/853168615.db2.gz RDGHIMDXSQJNIL-RBSFLKMASA-N 2 0 363.449 0.551 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001197826413 853169029 /nfs/dbraw/zinc/16/90/29/853169029.db2.gz WFPDWQDHAKWESR-RRFJBIMHSA-N 2 0 363.449 0.551 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197834046 853169734 /nfs/dbraw/zinc/16/97/34/853169734.db2.gz QMSBSGSVHAETBR-NVXWUHKLSA-N 2 0 350.463 0.738 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001198729489 853307309 /nfs/dbraw/zinc/30/73/09/853307309.db2.gz OQEJINYEGIIGTF-RCCFBDPRSA-N 2 0 353.507 0.983 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199023964 853356180 /nfs/dbraw/zinc/35/61/80/853356180.db2.gz WMFXMQDAVFMTLO-OPQOLIRYSA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@H]2O)o1 ZINC001199337557 853410332 /nfs/dbraw/zinc/41/03/32/853410332.db2.gz YXTYJKISQBOUIJ-HZPDHXFCSA-N 2 0 353.463 0.933 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001205334206 853603977 /nfs/dbraw/zinc/60/39/77/853603977.db2.gz FZBRSEYMNVKYGP-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205448987 853609280 /nfs/dbraw/zinc/60/92/80/853609280.db2.gz OLTNFKGENVQYHD-JKSUJKDBSA-N 2 0 350.438 0.537 20 0 FCADRP [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C[C@@H]1O ZINC001206519609 853696456 /nfs/dbraw/zinc/69/64/56/853696456.db2.gz NURWGROWNVBDAO-BBRMVZONSA-N 2 0 369.307 0.610 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(CC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001207449862 853815038 /nfs/dbraw/zinc/81/50/38/853815038.db2.gz AWMIRIXDZAXIJU-UHFFFAOYSA-N 2 0 372.579 0.617 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543572 853821849 /nfs/dbraw/zinc/82/18/49/853821849.db2.gz UCNVQPWIFYUFAC-BRWVUGGUSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543573 853822287 /nfs/dbraw/zinc/82/22/87/853822287.db2.gz UCNVQPWIFYUFAC-IXDOHACOSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001207563044 853825911 /nfs/dbraw/zinc/82/59/11/853825911.db2.gz BKEFKYOOMAUBGZ-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001207652640 853834327 /nfs/dbraw/zinc/83/43/27/853834327.db2.gz DPSCTCOSROCMOS-CPUCHLNUSA-N 2 0 352.479 0.158 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001207758158 853855035 /nfs/dbraw/zinc/85/50/35/853855035.db2.gz USYNDRKUUNZAOK-GDBMZVCRSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001208070159 853890622 /nfs/dbraw/zinc/89/06/22/853890622.db2.gz FJRYTLGVLWYLCE-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445238 853935652 /nfs/dbraw/zinc/93/56/52/853935652.db2.gz XGCWKMQZQXUFOA-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485834 853940636 /nfs/dbraw/zinc/94/06/36/853940636.db2.gz SYGWWCDLPUYNTH-KBAYOESNSA-N 2 0 355.523 0.798 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001209634885 854042581 /nfs/dbraw/zinc/04/25/81/854042581.db2.gz KXHNHYBTTHRBDN-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835821 854056733 /nfs/dbraw/zinc/05/67/33/854056733.db2.gz AIZIRXWCFMIJFA-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040389 854072411 /nfs/dbraw/zinc/07/24/11/854072411.db2.gz GEPCTUNHVQADNQ-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298659 854097416 /nfs/dbraw/zinc/09/74/16/854097416.db2.gz QOPMKDMQQDLUPG-OWCLPIDISA-N 2 0 356.511 0.256 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350700 854179175 /nfs/dbraw/zinc/17/91/75/854179175.db2.gz VGKOSAVDUPRLKF-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459117 854487696 /nfs/dbraw/zinc/48/76/96/854487696.db2.gz XNBXMSHLWMDOFW-IAGOWNOFSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342060 854581796 /nfs/dbraw/zinc/58/17/96/854581796.db2.gz FGQPGTYABPXQRR-GVDBMIGSSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348842 854584434 /nfs/dbraw/zinc/58/44/34/854584434.db2.gz WWUMBXCDJXMSLU-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730224 854740529 /nfs/dbraw/zinc/74/05/29/854740529.db2.gz JCHTVLUNINIQDH-BZUAXINKSA-N 2 0 357.495 0.195 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213769272 854760284 /nfs/dbraw/zinc/76/02/84/854760284.db2.gz MSFWBNXYTCSKDA-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863287 854797095 /nfs/dbraw/zinc/79/70/95/854797095.db2.gz JFKOSMHPBPFUDG-BRWVUGGUSA-N 2 0 357.495 0.195 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914735 854821770 /nfs/dbraw/zinc/82/17/70/854821770.db2.gz USUKSKNFQTVSFY-IAGOWNOFSA-N 2 0 357.495 0.341 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001214336079 854926992 /nfs/dbraw/zinc/92/69/92/854926992.db2.gz TUKLZFFLHMFLIV-MCIONIFRSA-N 2 0 365.503 0.637 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001214336080 854927534 /nfs/dbraw/zinc/92/75/34/854927534.db2.gz TUKLZFFLHMFLIV-MGPQQGTHSA-N 2 0 365.503 0.637 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)s1 ZINC001214344790 854928527 /nfs/dbraw/zinc/92/85/27/854928527.db2.gz YMEPSTBQUIPZHL-RTXFEEFZSA-N 2 0 366.491 0.316 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648337 854986853 /nfs/dbraw/zinc/98/68/53/854986853.db2.gz JBYQKQSONPLKFC-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214847935 855022096 /nfs/dbraw/zinc/02/20/96/855022096.db2.gz ZIXWXEHFAJEUMO-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C)C1CC1 ZINC001214855898 855023661 /nfs/dbraw/zinc/02/36/61/855023661.db2.gz QWTMHUNQOPHKGL-QBIMZIAESA-N 2 0 350.507 0.774 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861310 855025009 /nfs/dbraw/zinc/02/50/09/855025009.db2.gz QCPGOBZOFJNPKW-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214856082 855025077 /nfs/dbraw/zinc/02/50/77/855025077.db2.gz XDTNVWLLPDTVOQ-QGPMSJSTSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1)[NH+](C)C ZINC001214902638 855030950 /nfs/dbraw/zinc/03/09/50/855030950.db2.gz XOIYTEZCEHPOLZ-IOASZLSFSA-N 2 0 351.451 0.636 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948252 855038917 /nfs/dbraw/zinc/03/89/17/855038917.db2.gz MPDNHGSDYKDADD-IAGOWNOFSA-N 2 0 353.507 0.962 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001215003484 855050978 /nfs/dbraw/zinc/05/09/78/855050978.db2.gz FTUDZYKSRLMPFU-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215298984 855097628 /nfs/dbraw/zinc/09/76/28/855097628.db2.gz PXTOOIAXLOBCKM-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215298947 855098016 /nfs/dbraw/zinc/09/80/16/855098016.db2.gz OJBGKUUEIGAYBM-IIAWOOMASA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](CC)CC ZINC001215519033 855123654 /nfs/dbraw/zinc/12/36/54/855123654.db2.gz VJJRCUVQZFVSKX-MGPQQGTHSA-N 2 0 352.483 0.165 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1)[NH+](CC)CC ZINC001215516418 855123874 /nfs/dbraw/zinc/12/38/74/855123874.db2.gz HGGQRAZJUPZTSI-OAGGEKHMSA-N 2 0 361.552 0.978 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215567977 855128808 /nfs/dbraw/zinc/12/88/08/855128808.db2.gz JKHUKQGHOGZYPE-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1)[NH+](C)C ZINC001215571263 855129055 /nfs/dbraw/zinc/12/90/55/855129055.db2.gz HSTRVAXDZWHCTN-BMFZPTHFSA-N 2 0 350.463 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001215563490 855129090 /nfs/dbraw/zinc/12/90/90/855129090.db2.gz IQGDDQRWUZVGHS-MGPQQGTHSA-N 2 0 352.479 0.206 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)[NH+](C)C ZINC001215571685 855129133 /nfs/dbraw/zinc/12/91/33/855129133.db2.gz SWCABMUTKHAWEB-KFWWJZLASA-N 2 0 362.540 0.045 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001216099235 855169637 /nfs/dbraw/zinc/16/96/37/855169637.db2.gz LGFMDZLNVBJTQI-IIAWOOMASA-N 2 0 354.495 0.010 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001216213790 855179098 /nfs/dbraw/zinc/17/90/98/855179098.db2.gz RDAGNQIRRLEGOM-OWCLPIDISA-N 2 0 356.511 0.306 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216221589 855180611 /nfs/dbraw/zinc/18/06/11/855180611.db2.gz JAKRKZAAHRSZTI-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410128 855200127 /nfs/dbraw/zinc/20/01/27/855200127.db2.gz RKVHYCLOPLBCJA-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216464618 855204830 /nfs/dbraw/zinc/20/48/30/855204830.db2.gz RMSHZBSZFLZWFL-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001216498895 855207931 /nfs/dbraw/zinc/20/79/31/855207931.db2.gz AKUCFSMXBHDJLE-CHWSQXEVSA-N 2 0 353.492 0.860 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)s1 ZINC001216756016 855232773 /nfs/dbraw/zinc/23/27/73/855232773.db2.gz ONYPFVPIQYHBNU-DGCLKSJQSA-N 2 0 366.491 0.317 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001216757508 855234011 /nfs/dbraw/zinc/23/40/11/855234011.db2.gz ASZLSKBXZJDKLO-MGPQQGTHSA-N 2 0 367.412 0.459 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC2CC2)C1 ZINC001216757746 855234098 /nfs/dbraw/zinc/23/40/98/855234098.db2.gz KSQLTEVTWYAIJH-JFIYKMOQSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001216838913 855254425 /nfs/dbraw/zinc/25/44/25/855254425.db2.gz IFJQPAZGMKKFMO-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216844879 855256747 /nfs/dbraw/zinc/25/67/47/855256747.db2.gz MRHJAEQLRACDFZ-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218108356 855398310 /nfs/dbraw/zinc/39/83/10/855398310.db2.gz CEGCXVSUJAKDBE-OKZBNKHCSA-N 2 0 353.507 0.912 20 0 FCADRP CSc1nccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218512285 855432549 /nfs/dbraw/zinc/43/25/49/855432549.db2.gz SYIZLRCTZSFXSK-RYUDHWBXSA-N 2 0 366.491 0.584 20 0 FCADRP COC(=O)c1nc(Br)cnc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218523126 855434711 /nfs/dbraw/zinc/43/47/11/855434711.db2.gz CLUBWHNCJOXRLY-SECBINFHSA-N 2 0 372.223 0.291 20 0 FCADRP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218549857 855437530 /nfs/dbraw/zinc/43/75/30/855437530.db2.gz XJVMHWALCQJZFO-SNVBAGLBSA-N 2 0 370.475 0.940 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ncc(C(F)(F)F)cc1N ZINC001218588472 855444703 /nfs/dbraw/zinc/44/47/03/855444703.db2.gz USQRWJNCCMCYFA-LBPRGKRZSA-N 2 0 360.384 0.396 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218630718 855453853 /nfs/dbraw/zinc/45/38/53/855453853.db2.gz FMXNTPJTAXTJLN-ONGXEEELSA-N 2 0 370.841 0.221 20 0 FCADRP CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218649922 855457229 /nfs/dbraw/zinc/45/72/29/855457229.db2.gz LMJVCIIZPLNUIC-SSDOTTSWSA-N 2 0 374.228 0.708 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218694093 855465388 /nfs/dbraw/zinc/46/53/88/855465388.db2.gz RCFHUJBIWHQZBJ-BPNCWPANSA-N 2 0 353.492 0.801 20 0 FCADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710243 855468613 /nfs/dbraw/zinc/46/86/13/855468613.db2.gz DGXDRHHTPZSRCL-NEPJUHHUSA-N 2 0 368.459 0.452 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218723654 855471598 /nfs/dbraw/zinc/47/15/98/855471598.db2.gz WQYJLGFYEDGYDA-BPQIPLTHSA-N 2 0 353.507 0.791 20 0 FCADRP COC(=O)c1cc(Br)cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218733965 855472405 /nfs/dbraw/zinc/47/24/05/855472405.db2.gz PDCIAHDXFVIFIS-GFCCVEGCSA-N 2 0 371.235 0.896 20 0 FCADRP NC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218842686 855485098 /nfs/dbraw/zinc/48/50/98/855485098.db2.gz BPUPUXFXLTZALN-JTQLQIEISA-N 2 0 353.220 0.296 20 0 FCADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218873425 855489002 /nfs/dbraw/zinc/48/90/02/855489002.db2.gz IIJOTVUMPGOKKO-SJORKVTESA-N 2 0 350.438 0.687 20 0 FCADRP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218893718 855493218 /nfs/dbraw/zinc/49/32/18/855493218.db2.gz FASXHGDPVJVDFD-GFCCVEGCSA-N 2 0 352.460 0.121 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288054 855617956 /nfs/dbraw/zinc/61/79/56/855617956.db2.gz HPNKVLHZOKRQHT-ZDUSSCGKSA-N 2 0 352.410 0.972 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290436 855618260 /nfs/dbraw/zinc/61/82/60/855618260.db2.gz BWUBJKXDNUUZLO-RZFZLAGVSA-N 2 0 356.467 0.788 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)c1cccc(Br)c1 ZINC001219577543 855720888 /nfs/dbraw/zinc/72/08/88/855720888.db2.gz DDZBLMYBQHYEOC-NSHDSACASA-N 2 0 360.277 0.767 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580704 855721418 /nfs/dbraw/zinc/72/14/18/855721418.db2.gz QRUAXOMXGVUCBH-IHRRRGAJSA-N 2 0 374.279 0.416 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(Br)cc1 ZINC001219618142 855736262 /nfs/dbraw/zinc/73/62/62/855736262.db2.gz WEXDPSIUPKNQJR-SGMGOOAPSA-N 2 0 360.227 0.628 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1ccc(C(F)(F)F)nc1 ZINC001219691155 855773275 /nfs/dbraw/zinc/77/32/75/855773275.db2.gz LUBYYZXNLUCFMR-CYBMUJFWSA-N 2 0 359.396 0.510 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219793604 855814415 /nfs/dbraw/zinc/81/44/15/855814415.db2.gz IMTWTEMVRBPBQZ-KRWDZBQOSA-N 3 0 350.507 0.478 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811051 855828461 /nfs/dbraw/zinc/82/84/61/855828461.db2.gz IZQJCYWXVRIJML-LBPRGKRZSA-N 2 0 352.435 0.776 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825557 855832539 /nfs/dbraw/zinc/83/25/39/855832539.db2.gz KZRFCXUDDDRQKY-GJZGRUSLSA-N 2 0 358.467 0.695 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219833363 855836947 /nfs/dbraw/zinc/83/69/47/855836947.db2.gz CIEAGFSOPOKLSG-HKUMRIAESA-N 2 0 351.369 0.038 20 0 FCADRP C[NH2+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834487 855837188 /nfs/dbraw/zinc/83/71/88/855837188.db2.gz QLQKWWGRAAQAGF-ZXFNITATSA-N 2 0 357.495 0.289 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838885 855839428 /nfs/dbraw/zinc/83/94/28/855839428.db2.gz VXJXXBGWHGWBGL-JTOWHCCKSA-N 2 0 355.479 0.043 20 0 FCADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219951838 855894125 /nfs/dbraw/zinc/89/41/25/855894125.db2.gz DPHURFWXTDNBNB-MRXNPFEDSA-N 2 0 371.547 0.829 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])c2)CC1 ZINC001219960983 855897098 /nfs/dbraw/zinc/89/70/98/855897098.db2.gz DUKPRZBXLAPACY-INIZCTEOSA-N 3 0 351.520 0.074 20 0 FCADRP COC(=O)C1(NC(=O)c2csc(C3CC[NH2+]CC3)n2)CC[NH2+]CC1 ZINC001220001823 855912896 /nfs/dbraw/zinc/91/28/96/855912896.db2.gz XVBLOTMAHVXRSZ-UHFFFAOYSA-N 2 0 352.460 0.635 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034607 855927994 /nfs/dbraw/zinc/92/79/94/855927994.db2.gz WTARIEISJXOMLI-OWQJAQGESA-N 2 0 355.454 0.151 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045061 855931100 /nfs/dbraw/zinc/93/11/00/855931100.db2.gz KFAABUGDIJWWQN-WHOFXGATSA-N 2 0 367.519 0.678 20 0 FCADRP C[NH2+]CCNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C)cc1 ZINC001220054824 855935563 /nfs/dbraw/zinc/93/55/63/855935563.db2.gz UJOIDUWQTBBMBL-HNNXBMFYSA-N 2 0 356.492 0.107 20 0 FCADRP C[NH2+]CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220056437 855935743 /nfs/dbraw/zinc/93/57/43/855935743.db2.gz YSVJZODWYWFSJY-HOTGVXAUSA-N 2 0 350.463 0.129 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161284 855988166 /nfs/dbraw/zinc/98/81/66/855988166.db2.gz BGSRFHGIVJEBRY-AHXJXLJNSA-N 2 0 352.479 0.336 20 0 FCADRP COC1CCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220223181 856020176 /nfs/dbraw/zinc/02/01/76/856020176.db2.gz SMWSRPMFWMJZOC-CKUJCDMFSA-N 2 0 354.495 0.508 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220318881 856064583 /nfs/dbraw/zinc/06/45/83/856064583.db2.gz BJGIGYWNDGHMNT-DEYYWGMASA-N 2 0 355.479 0.853 20 0 FCADRP Cn1cc(Br)c(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001220334864 856071226 /nfs/dbraw/zinc/07/12/26/856071226.db2.gz DMWJKWUKEGHBTE-NSHDSACASA-N 2 0 356.268 0.673 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369919 856088581 /nfs/dbraw/zinc/08/85/81/856088581.db2.gz XUWFAELLRPCBEP-IXDOHACOSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387575 856100856 /nfs/dbraw/zinc/10/08/56/856100856.db2.gz LWMNAHNELZXUEL-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387756 856100870 /nfs/dbraw/zinc/10/08/70/856100870.db2.gz POTAHNCMRQBPIT-BBWFWOEESA-N 2 0 357.495 0.075 20 0 FCADRP COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220409570 856111451 /nfs/dbraw/zinc/11/14/51/856111451.db2.gz XLWZYMUJKOACDG-MFKMUULPSA-N 2 0 352.460 0.256 20 0 FCADRP CSc1ccc(OCCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220422729 856118140 /nfs/dbraw/zinc/11/81/40/856118140.db2.gz LUZVEGFZWOJURG-MRXNPFEDSA-N 2 0 352.504 0.654 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)O1 ZINC001220481650 856147900 /nfs/dbraw/zinc/14/79/00/856147900.db2.gz MHHOEMUDHPSLTK-RKYPPNDESA-N 2 0 355.479 0.376 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001220519299 856163699 /nfs/dbraw/zinc/16/36/99/856163699.db2.gz JKHPJHQATNHWRV-JKSUJKDBSA-N 2 0 370.519 0.320 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc(Br)cc1 ZINC001220607141 856202419 /nfs/dbraw/zinc/20/24/19/856202419.db2.gz IFOADFUGNQWYIV-ZOBORPQBSA-N 2 0 354.248 0.800 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220690025 856244698 /nfs/dbraw/zinc/24/46/98/856244698.db2.gz OPEJPXQLLACXKW-CVEARBPZSA-N 2 0 364.515 0.561 20 0 FCADRP COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CCCCC1 ZINC001220731177 856268110 /nfs/dbraw/zinc/26/81/10/856268110.db2.gz GYNNQJLSCRARGU-HZPDHXFCSA-N 2 0 354.495 0.365 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220799829 856306688 /nfs/dbraw/zinc/30/66/88/856306688.db2.gz HKHDZLNHYLASCK-HUUCEWRRSA-N 2 0 365.861 0.739 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccsc2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220851478 856336599 /nfs/dbraw/zinc/33/65/99/856336599.db2.gz XNJOLBLVRDBHEF-CQSZACIVSA-N 2 0 366.487 0.106 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCc2ccc(OC)cc2)C[NH2+]C1 ZINC001220850990 856336621 /nfs/dbraw/zinc/33/66/21/856336621.db2.gz CLIOUBZOFSZNTI-AWEZNQCLSA-N 2 0 367.471 0.277 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220855181 856338791 /nfs/dbraw/zinc/33/87/91/856338791.db2.gz PESKFAZALJZZEH-ZDUSSCGKSA-N 2 0 360.380 0.938 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)c2ccsc2)C1 ZINC001220936153 856385140 /nfs/dbraw/zinc/38/51/40/856385140.db2.gz CYXNUSFBRRBYSM-OWCLPIDISA-N 2 0 352.504 0.707 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220935909 856385247 /nfs/dbraw/zinc/38/52/47/856385247.db2.gz ANJWJURMTSUBSR-JYJNAYRXSA-N 2 0 356.511 0.385 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001221081865 856454052 /nfs/dbraw/zinc/45/40/52/856454052.db2.gz XFZOGVFVAOLYGE-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221081924 856454233 /nfs/dbraw/zinc/45/42/33/856454233.db2.gz YYZMYFCMIRVWBB-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC001221148493 856483806 /nfs/dbraw/zinc/48/38/06/856483806.db2.gz CYSFKRICOJIGQT-HNNXBMFYSA-N 2 0 352.460 0.075 20 0 FCADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148830 856484367 /nfs/dbraw/zinc/48/43/67/856484367.db2.gz QLYGAZDOXUEFSV-BBRMVZONSA-N 2 0 368.503 0.696 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221155262 856488087 /nfs/dbraw/zinc/48/80/87/856488087.db2.gz IRBDLFYPSOODCW-AWEZNQCLSA-N 2 0 351.476 0.242 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC001221188085 856507404 /nfs/dbraw/zinc/50/74/04/856507404.db2.gz NHKZTIGMYDIALH-RYUDHWBXSA-N 2 0 358.236 0.846 20 0 FCADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221248529 856528968 /nfs/dbraw/zinc/52/89/68/856528968.db2.gz ZXRBNPSLFDPTJC-MAUKXSAKSA-N 2 0 369.531 0.439 20 0 FCADRP CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359048 856554856 /nfs/dbraw/zinc/55/48/56/856554856.db2.gz ZWVVZWUIHPAPLI-JKSUJKDBSA-N 2 0 352.523 0.724 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001221637371 856633424 /nfs/dbraw/zinc/63/34/24/856633424.db2.gz FPDGUYHMHMRZRA-PMPSAXMXSA-N 2 0 351.495 0.275 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777185 856678244 /nfs/dbraw/zinc/67/82/44/856678244.db2.gz WBBOZOFKRGRGBX-IAGOWNOFSA-N 2 0 354.495 0.014 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910581 856731273 /nfs/dbraw/zinc/73/12/73/856731273.db2.gz KMOZWQRFMZSZEP-KZNAEPCWSA-N 2 0 353.507 0.647 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221950384 856745399 /nfs/dbraw/zinc/74/53/99/856745399.db2.gz FSNXRZNEYCVLDJ-BRWVUGGUSA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001221950409 856746186 /nfs/dbraw/zinc/74/61/86/856746186.db2.gz GFSPSRGKVHRJBA-RBSFLKMASA-N 2 0 361.433 0.522 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001222017952 856768099 /nfs/dbraw/zinc/76/80/99/856768099.db2.gz DYSLZLFELYRKTG-FGTMMUONSA-N 2 0 351.491 0.811 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223387574 856912448 /nfs/dbraw/zinc/91/24/48/856912448.db2.gz HCTVCMMFCQNCSG-BBWFWOEESA-N 2 0 371.547 0.686 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846687 856946667 /nfs/dbraw/zinc/94/66/67/856946667.db2.gz RFFXCWQKVGQTAO-BBWFWOEESA-N 2 0 371.547 0.686 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3CCCC3=O)[C@H]2C1 ZINC001223846702 856946744 /nfs/dbraw/zinc/94/67/44/856946744.db2.gz RNCGVIJYRMBUGR-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916303 856950288 /nfs/dbraw/zinc/95/02/88/856950288.db2.gz FEYDNOCSAITELJ-CVEARBPZSA-N 2 0 354.495 0.012 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227435 856970525 /nfs/dbraw/zinc/97/05/25/856970525.db2.gz KSCKZJILGTZNBZ-SQNIBIBYSA-N 2 0 353.507 0.793 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346508 857036124 /nfs/dbraw/zinc/03/61/24/857036124.db2.gz NIBXZATUVNATHO-RBSFLKMASA-N 2 0 360.524 0.037 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001226799837 857126852 /nfs/dbraw/zinc/12/68/52/857126852.db2.gz DVBQZECAXTXVEO-NUJGCVRESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C1CC1 ZINC001226801167 857126921 /nfs/dbraw/zinc/12/69/21/857126921.db2.gz UFWZHNLDRZRCPY-OAGGEKHMSA-N 2 0 351.495 0.369 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001226831962 857127984 /nfs/dbraw/zinc/12/79/84/857127984.db2.gz WODOYCUNKLOXEG-DJIMGWMZSA-N 2 0 371.547 0.922 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001227056296 857138594 /nfs/dbraw/zinc/13/85/94/857138594.db2.gz FGIAPCQFKWJPRK-JHJVBQTASA-N 2 0 368.507 0.834 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227704470 857170331 /nfs/dbraw/zinc/17/03/31/857170331.db2.gz ZUAHJZYDJKIKIF-JFIYKMOQSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227704472 857170758 /nfs/dbraw/zinc/17/07/58/857170758.db2.gz ZUAHJZYDJKIKIF-NUJGCVRESA-N 2 0 350.507 0.966 20 0 FCADRP CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001228238355 857198218 /nfs/dbraw/zinc/19/82/18/857198218.db2.gz BWWKYMLXDCBUEE-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)S(C)(=O)=O ZINC001228261692 857199178 /nfs/dbraw/zinc/19/91/78/857199178.db2.gz MCXOZDJQBBARGX-HUUCEWRRSA-N 2 0 362.540 0.237 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001228262403 857199405 /nfs/dbraw/zinc/19/94/05/857199405.db2.gz SXBAYEMMRLUZJQ-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001228377458 857207846 /nfs/dbraw/zinc/20/78/46/857207846.db2.gz SPZOXWULVLMXSV-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228593975 857217756 /nfs/dbraw/zinc/21/77/56/857217756.db2.gz HWXFRMFNWXZCGL-RRFJBIMHSA-N 2 0 360.524 0.037 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001228603685 857218773 /nfs/dbraw/zinc/21/87/73/857218773.db2.gz RPIBDHRSEPWSRV-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC1 ZINC001228932500 857238989 /nfs/dbraw/zinc/23/89/89/857238989.db2.gz OSMSNSKTBYYGSZ-HZPDHXFCSA-N 2 0 359.536 0.780 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229230621 857260002 /nfs/dbraw/zinc/26/00/02/857260002.db2.gz JXMOUKLCIZQUEO-BRWVUGGUSA-N 2 0 359.511 0.369 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389204 857267456 /nfs/dbraw/zinc/26/74/56/857267456.db2.gz LGJHKFJBIMTKEC-HZPDHXFCSA-N 2 0 354.495 0.202 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141760 857306724 /nfs/dbraw/zinc/30/67/24/857306724.db2.gz SPOFKFPPHKRJHD-GVDBMIGSSA-N 2 0 357.495 0.123 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138137 857306739 /nfs/dbraw/zinc/30/67/39/857306739.db2.gz HGPFBBLDBYWQNU-BZUAXINKSA-N 2 0 353.511 0.663 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001230138158 857306746 /nfs/dbraw/zinc/30/67/46/857306746.db2.gz IFVMFRXHZPVGLP-YNEHKIRRSA-N 2 0 364.412 0.634 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141345 857306854 /nfs/dbraw/zinc/30/68/54/857306854.db2.gz HBOSVKSLDUNXQD-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001231312255 857358354 /nfs/dbraw/zinc/35/83/54/857358354.db2.gz FXDOCRKJESBICA-KRWDZBQOSA-N 2 0 355.527 0.158 20 0 FCADRP OC1CCN(c2nc(Cl)c(CN3CCNC[C@@]34CC[NH2+]C4)s2)CC1 ZINC001234986502 857416657 /nfs/dbraw/zinc/41/66/57/857416657.db2.gz KKLTVOTZQBCVCI-INIZCTEOSA-N 2 0 371.938 0.895 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235274565 857420858 /nfs/dbraw/zinc/42/08/58/857420858.db2.gz OEGMAQBEPTYLLO-YUELXQCFSA-N 2 0 365.396 0.382 20 0 FCADRP Cc1cc(Br)cnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869543 857432420 /nfs/dbraw/zinc/43/24/20/857432420.db2.gz DTFJVASNPLFUCZ-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP Nc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Br)cn1 ZINC001235874287 857433323 /nfs/dbraw/zinc/43/33/23/857433323.db2.gz OZFDCWJYSZCPHL-UHFFFAOYSA-N 2 0 357.300 0.011 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1OC(F)F ZINC001235870199 857433808 /nfs/dbraw/zinc/43/38/08/857433808.db2.gz FPJDTFAHMKRVPQ-UHFFFAOYSA-N 2 0 358.433 0.881 20 0 FCADRP C[NH+]1CCN(c2cc(Br)ccc2CN(CC[NH3+])CC[NH3+])CC1 ZINC001235880955 857434547 /nfs/dbraw/zinc/43/45/47/857434547.db2.gz RUEMGXFIGXWOPI-UHFFFAOYSA-N 3 0 370.339 0.920 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(Br)cn1 ZINC001236307240 857437956 /nfs/dbraw/zinc/43/79/56/857437956.db2.gz DVQATSVOIBQTDK-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP CCOc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)c1F ZINC001236310965 857439082 /nfs/dbraw/zinc/43/90/82/857439082.db2.gz NUAWZUXNGRPDLP-UHFFFAOYSA-N 2 0 358.433 0.979 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-c3cccc4c3CC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001236343700 857441057 /nfs/dbraw/zinc/44/10/57/857441057.db2.gz QFTXUPFTRRYRTQ-UHFFFAOYSA-N 2 0 358.467 0.881 20 0 FCADRP Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239504 857464977 /nfs/dbraw/zinc/46/49/77/857464977.db2.gz COKYJQGVYIDFSF-NSHDSACASA-N 2 0 361.899 0.534 20 0 FCADRP COc1ccc(CS(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238242714 857465004 /nfs/dbraw/zinc/46/50/04/857465004.db2.gz PYMBGXIVYIUWPE-OAHLLOKOSA-N 2 0 353.488 0.989 20 0 FCADRP COc1ccc(F)c(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238242727 857465168 /nfs/dbraw/zinc/46/51/68/857465168.db2.gz QELPQBVDNJBYEB-GFCCVEGCSA-N 2 0 357.451 0.987 20 0 FCADRP COc1ccc(CC2(NS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001238814409 857480500 /nfs/dbraw/zinc/48/05/00/857480500.db2.gz UOIRRTAFYJGGHX-MRXNPFEDSA-N 2 0 353.488 0.641 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001239081373 857509158 /nfs/dbraw/zinc/50/91/58/857509158.db2.gz QHXQSOQGZNCYST-KRWDZBQOSA-N 2 0 368.503 0.285 20 0 FCADRP Cc1ccc(CN2CCOC3(CCN(S(=O)(=O)CC[NH3+])CC3)C2)cc1 ZINC001239082029 857509206 /nfs/dbraw/zinc/50/92/06/857509206.db2.gz PEQOHDCNOUOWIZ-UHFFFAOYSA-N 2 0 367.515 0.950 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CCC3(CN(S(=O)(=O)N(C)C)C3)CC2)CC1 ZINC001279502423 862920194 /nfs/dbraw/zinc/92/01/94/862920194.db2.gz QNZIQJHZMSFTKO-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP [NH3+]CCS(=O)(=O)N(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001239150477 857522852 /nfs/dbraw/zinc/52/28/52/857522852.db2.gz QUIVOAKWSTVGLM-UHFFFAOYSA-N 2 0 351.394 0.946 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001245978174 857561655 /nfs/dbraw/zinc/56/16/55/857561655.db2.gz JYILBSNHUCOSCC-IXJQEDDXSA-N 3 0 355.429 0.552 20 0 FCADRP [NH3+][C@@H]1CCN(c2ccc(F)cc2NC[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245972589 857561854 /nfs/dbraw/zinc/56/18/54/857561854.db2.gz ISXQLPCYNMXQFQ-HUUCEWRRSA-N 2 0 352.454 0.641 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCCCN1CC[NH2+]CC1 ZINC001245971105 857561864 /nfs/dbraw/zinc/56/18/64/857561864.db2.gz FJOXQCKBXKXPGT-ZWKOTPCHSA-N 3 0 356.461 0.471 20 0 FCADRP O[C@@H](C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1)COCC(F)(F)C(F)F ZINC001245983509 857562733 /nfs/dbraw/zinc/56/27/33/857562733.db2.gz GUXHDMBNNKBVAP-NEPJUHHUSA-N 2 0 357.392 0.728 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245989535 857563406 /nfs/dbraw/zinc/56/34/06/857563406.db2.gz MAQXBYAINNWVFG-ZWKOTPCHSA-N 2 0 354.445 0.221 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC1(O)CC[NH2+]CC1)C2 ZINC001246030073 857565509 /nfs/dbraw/zinc/56/55/09/857565509.db2.gz CAWOKXJBPGJIGU-GJZGRUSLSA-N 2 0 365.396 0.118 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1C(=O)OC ZINC001246138162 857568691 /nfs/dbraw/zinc/56/86/91/857568691.db2.gz ATXOHVHWXQHQRU-ZQDZILKHSA-N 2 0 353.463 0.191 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1 ZINC001246137642 857568747 /nfs/dbraw/zinc/56/87/47/857568747.db2.gz JQPIYNRVFZEOMM-RDJZCZTQSA-N 2 0 352.523 0.865 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CN1)N1CCSC1 ZINC001246143198 857569361 /nfs/dbraw/zinc/56/93/61/857569361.db2.gz UVFVBBLGMXJLQP-UXLLHSPISA-N 2 0 363.531 0.451 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CN1)N1CCSC1 ZINC001246143197 857569401 /nfs/dbraw/zinc/56/94/01/857569401.db2.gz UVFVBBLGMXJLQP-INMHGKMJSA-N 2 0 363.531 0.451 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)O2)CN1)N1CCSC1 ZINC001246133630 857569515 /nfs/dbraw/zinc/56/95/15/857569515.db2.gz KUNYZOWSJSHLRW-KKUMJFAQSA-N 2 0 354.520 0.141 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246259116 857571319 /nfs/dbraw/zinc/57/13/19/857571319.db2.gz ZGDRTCMEUNUWOF-ILXRZTDVSA-N 2 0 354.520 0.141 20 0 FCADRP CC(C)([NH3+])CN([C@H]1CCNC2(C[NH2+]C2)C1)S(=O)(=O)c1ccccc1 ZINC001246291471 857572891 /nfs/dbraw/zinc/57/28/91/857572891.db2.gz TWKMMWGJFSATDC-AWEZNQCLSA-N 2 0 352.504 0.509 20 0 FCADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001246315359 857573645 /nfs/dbraw/zinc/57/36/45/857573645.db2.gz SZOSBZNXOFWKBK-CHWSQXEVSA-N 2 0 350.467 0.319 20 0 FCADRP COc1cccc([C@H](C[NH3+])N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)c1 ZINC001246511084 857583284 /nfs/dbraw/zinc/58/32/84/857583284.db2.gz OTKWZBJESRYDLG-KBMXLJTQSA-N 2 0 350.488 0.548 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CCN1 ZINC001246521413 857583311 /nfs/dbraw/zinc/58/33/11/857583311.db2.gz VGLZQQZYYBFUBQ-PMPSAXMXSA-N 2 0 354.495 0.380 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[NH2+][C@@H](Cc3ccccc3)C2)C[NH2+]1)N1CCSC1 ZINC001246603781 857585762 /nfs/dbraw/zinc/58/57/62/857585762.db2.gz RXIGURQRFCVUBX-KSZLIROESA-N 2 0 360.527 0.766 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697128 857590863 /nfs/dbraw/zinc/59/08/63/857590863.db2.gz UBZKASKKBIFBKO-ZACQAIPSSA-N 2 0 351.491 0.714 20 0 FCADRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699262 857591742 /nfs/dbraw/zinc/59/17/42/857591742.db2.gz ZLQOJQFDTQPBBU-QZTJIDSGSA-N 2 0 352.523 0.141 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246711237 857593487 /nfs/dbraw/zinc/59/34/87/857593487.db2.gz SMLZPDRQWLLRDE-RZRMAFQFSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726416 857594222 /nfs/dbraw/zinc/59/42/22/857594222.db2.gz CUXBVYFVMRKFPT-IRXDYDNUSA-N 3 0 351.539 0.297 20 0 FCADRP C[C@@H]1CC[C@@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754175 857598828 /nfs/dbraw/zinc/59/88/28/857598828.db2.gz SSAMNRAJZUURBX-IAGOWNOFSA-N 2 0 352.523 0.630 20 0 FCADRP CC1(C)COC2(CCC(N3CC[NH2+]CCNCC[NH2+]CC3)CC2)OC1 ZINC001246821987 857602083 /nfs/dbraw/zinc/60/20/83/857602083.db2.gz PXIQSXHEDHQACJ-UHFFFAOYSA-N 2 0 354.539 0.783 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1COc2ccc(Cl)cc2C1 ZINC001246926434 857606383 /nfs/dbraw/zinc/60/63/83/857606383.db2.gz TYQHMVHFHDOEPS-OAHLLOKOSA-N 2 0 354.882 0.759 20 0 FCADRP O=C1N(CC(F)(F)F)CCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246968900 857607548 /nfs/dbraw/zinc/60/75/48/857607548.db2.gz IIXAHTHVPWAGDV-CYBMUJFWSA-N 2 0 360.424 0.957 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001249832348 857649559 /nfs/dbraw/zinc/64/95/59/857649559.db2.gz CTIYKPOWIZCQAH-KGLIPLIRSA-N 2 0 350.492 0.050 20 0 FCADRP O=C(CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)NCCc1c[nH]cn1 ZINC001251637568 857737813 /nfs/dbraw/zinc/73/78/13/857737813.db2.gz BUEOCYKLKMEJSX-LLVKDONJSA-N 2 0 370.347 0.326 20 0 FCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252023158 857775835 /nfs/dbraw/zinc/77/58/35/857775835.db2.gz FWELOXJVKKGEMC-IPMKNSEASA-N 2 0 355.523 0.645 20 0 FCADRP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416380 857799467 /nfs/dbraw/zinc/79/94/67/857799467.db2.gz XDPXTVMCZMWHRN-HOCLYGCPSA-N 2 0 352.431 0.869 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253129816 857861654 /nfs/dbraw/zinc/86/16/54/857861654.db2.gz QENVRRVYESUATN-GOSISDBHSA-N 2 0 351.491 0.188 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253129817 857861961 /nfs/dbraw/zinc/86/19/61/857861961.db2.gz QENVRRVYESUATN-SFHVURJKSA-N 2 0 351.491 0.188 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001253209052 857873125 /nfs/dbraw/zinc/87/31/25/857873125.db2.gz WHNNCFHCYHYAEL-HRCADAONSA-N 2 0 359.511 0.897 20 0 FCADRP C[C@@](O)(C[NH2+]CC1CC[NH+](CCO)CC1)C(=O)OCc1ccccc1 ZINC001253653370 857899928 /nfs/dbraw/zinc/89/99/28/857899928.db2.gz LOUNFESRAARHRE-LJQANCHMSA-N 2 0 350.459 0.775 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)C1=O ZINC001254518704 857976394 /nfs/dbraw/zinc/97/63/94/857976394.db2.gz DCLPNMYNWGWMDM-QGZVFWFLSA-N 2 0 352.523 0.726 20 0 FCADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254856480 857988164 /nfs/dbraw/zinc/98/81/64/857988164.db2.gz HISUXMYCSFEZSB-HNNXBMFYSA-N 2 0 367.519 0.275 20 0 FCADRP [NH3+]CCCOCCOCCC[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255973848 858043833 /nfs/dbraw/zinc/04/38/33/858043833.db2.gz NFSLLUSNGLWVOF-UHFFFAOYSA-N 2 0 355.401 0.901 20 0 FCADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)C1CC[NH+](C2CC2)CC1 ZINC001256075735 858052059 /nfs/dbraw/zinc/05/20/59/858052059.db2.gz CFBMGOHAHAPYQH-UHFFFAOYSA-N 2 0 367.519 0.417 20 0 FCADRP CN(C)S(=O)(=O)N1CCCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC001279615692 862980208 /nfs/dbraw/zinc/98/02/08/862980208.db2.gz WDYARMIVGSFITK-UHFFFAOYSA-N 2 0 358.552 0.970 20 0 FCADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616515 862981883 /nfs/dbraw/zinc/98/18/83/862981883.db2.gz MKMKSUUYVLZSEU-CALCHBBNSA-N 2 0 358.552 0.368 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001279617248 862982199 /nfs/dbraw/zinc/98/21/99/862982199.db2.gz WCLHTZHJLPMPPW-SJORKVTESA-N 2 0 358.552 0.226 20 0 FCADRP O=S1(=O)CCN(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852145 858101491 /nfs/dbraw/zinc/10/14/91/858101491.db2.gz GDALGYHZCXOYFG-UHFFFAOYSA-N 2 0 352.504 0.761 20 0 FCADRP C[C@@H](Cc1cccnc1)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258615949 858209141 /nfs/dbraw/zinc/20/91/41/858209141.db2.gz UIHNPUNKRPSCRV-KRWDZBQOSA-N 2 0 355.479 0.627 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H]1C ZINC001261525294 858579642 /nfs/dbraw/zinc/57/96/42/858579642.db2.gz ZJHYQUMSIYYMRA-DRMAHVMPSA-N 2 0 350.507 0.905 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](CCN1CCOCC1)C2 ZINC001279771429 863052550 /nfs/dbraw/zinc/05/25/50/863052550.db2.gz IVOYXYZNIFWFRI-IEBWSBKVSA-N 2 0 352.523 0.441 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)CC1 ZINC001262026223 858760801 /nfs/dbraw/zinc/76/08/01/858760801.db2.gz LIQFBTLQBXGGKO-WBVHZDCISA-N 2 0 350.467 0.446 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H]1C(F)(F)F ZINC001262036131 858764349 /nfs/dbraw/zinc/76/43/49/858764349.db2.gz GYMZVSZHSKOCHS-QWHCGFSZSA-N 2 0 357.380 0.700 20 0 FCADRP CC1([NH3+])CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001262099761 858779432 /nfs/dbraw/zinc/77/94/32/858779432.db2.gz XEYFDTFPGILMDI-MRXNPFEDSA-N 2 0 353.511 0.306 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CCC12CCOCC2 ZINC001262556857 858998690 /nfs/dbraw/zinc/99/86/90/858998690.db2.gz DUBFENXKHYWLOY-ZACQAIPSSA-N 2 0 351.491 0.905 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccccc2F)CC1=O ZINC001262574517 859004385 /nfs/dbraw/zinc/00/43/85/859004385.db2.gz UNWWVGQLZLCHKI-YOEHRIQHSA-N 2 0 353.438 0.628 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264095907 859309273 /nfs/dbraw/zinc/30/92/73/859309273.db2.gz AAMNBSXHPSCTIY-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001264099463 859312956 /nfs/dbraw/zinc/31/29/56/859312956.db2.gz BZCVIIQNEMBLHP-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001264503549 859369416 /nfs/dbraw/zinc/36/94/16/859369416.db2.gz ISJNVTDWZLHYEI-BHYGNILZSA-N 2 0 351.495 0.417 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001264503550 859369793 /nfs/dbraw/zinc/36/97/93/859369793.db2.gz ISJNVTDWZLHYEI-HYVNUMGLSA-N 2 0 351.495 0.417 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001272744424 860244624 /nfs/dbraw/zinc/24/46/24/860244624.db2.gz FEJJYQBMYOIGSR-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001273192853 860406058 /nfs/dbraw/zinc/40/60/58/860406058.db2.gz SIITXJMIJZKOKS-XHSDSOJGSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001273405446 860480506 /nfs/dbraw/zinc/48/05/06/860480506.db2.gz QUUJRKSJKUNOCG-IBGZPJMESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001273504599 860511361 /nfs/dbraw/zinc/51/13/61/860511361.db2.gz YEUXGRSUSOBXCX-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001273789040 860599827 /nfs/dbraw/zinc/59/98/27/860599827.db2.gz NCSBZSGCXIUWPN-HNAYVOBHSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001273847653 860616600 /nfs/dbraw/zinc/61/66/00/860616600.db2.gz HVRPSCKVWIOBJL-ZWKOTPCHSA-N 2 0 351.539 0.107 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122852 860935450 /nfs/dbraw/zinc/93/54/50/860935450.db2.gz KHKKYWHIWJEVAX-IBGZPJMESA-N 2 0 350.507 0.337 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286681 861011488 /nfs/dbraw/zinc/01/14/88/861011488.db2.gz BCVOFAZRTVWLJI-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2CC(C)(C)N2CCOCC2)C1=O ZINC001275515307 861118895 /nfs/dbraw/zinc/11/88/95/861118895.db2.gz KABSPMHKIYXUMS-IBGZPJMESA-N 2 0 352.523 0.726 20 0 FCADRP CN(C)C(=O)CCNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275737822 861179739 /nfs/dbraw/zinc/17/97/39/861179739.db2.gz OTSVNCXWFNPEDM-INIZCTEOSA-N 2 0 350.507 0.683 20 0 FCADRP COC(CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O)OC ZINC001275737633 861180333 /nfs/dbraw/zinc/18/03/33/861180333.db2.gz MQTBXYQGLBTOOT-SFHVURJKSA-N 2 0 353.463 0.446 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736714 861180493 /nfs/dbraw/zinc/18/04/93/861180493.db2.gz GKRFASQQIRJBMU-YJBOKZPZSA-N 2 0 353.463 0.241 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893958 863120143 /nfs/dbraw/zinc/12/01/43/863120143.db2.gz NNWYRMZLJYRYLK-LMSBXDPUSA-N 2 0 351.491 0.713 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975011 863160683 /nfs/dbraw/zinc/16/06/83/863160683.db2.gz ARUSKMPSVMSRTD-QGZVFWFLSA-N 2 0 355.552 0.299 20 0 FCADRP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](COCCOC)C[C@@H]12 ZINC001280152308 863298280 /nfs/dbraw/zinc/29/82/80/863298280.db2.gz RTFQQORSHFGTGR-HOTGVXAUSA-N 2 0 355.479 0.156 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@H+](CC4(C)COC4)C[C@@H]3O2)CC1 ZINC001280180659 863311987 /nfs/dbraw/zinc/31/19/87/863311987.db2.gz PBAJLLOBATWFDO-PVAVHDDUSA-N 2 0 351.491 0.713 20 0 FCADRP COCCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@H]12 ZINC001280210982 863339608 /nfs/dbraw/zinc/33/96/08/863339608.db2.gz LCXDLDPTZUYGQS-LSDHHAIUSA-N 2 0 352.479 0.510 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CC[C@H]3C[N@@H+](CCC[NH+](C)C)C[C@H]3CC2)c1 ZINC001280226265 863349863 /nfs/dbraw/zinc/34/98/63/863349863.db2.gz YKKXTWGPVDLAQM-IYBDPMFKSA-N 2 0 369.535 0.704 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001280258245 863364048 /nfs/dbraw/zinc/36/40/48/863364048.db2.gz LKJPLMACDTXXCW-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CSCCC[N@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280278649 863372907 /nfs/dbraw/zinc/37/29/07/863372907.db2.gz OYCNUUMXNDBIQM-LSDHHAIUSA-N 2 0 354.520 0.979 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@H]2C1 ZINC001280277969 863374125 /nfs/dbraw/zinc/37/41/25/863374125.db2.gz JAHSKXBMHUTQEW-GJZGRUSLSA-N 2 0 354.470 0.337 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC)[NH+](C)C ZINC001281849618 863821156 /nfs/dbraw/zinc/82/11/56/863821156.db2.gz DPZCMKYZVLJHBC-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC ZINC001281857356 863830999 /nfs/dbraw/zinc/83/09/99/863830999.db2.gz LFPMDAXDBLOMJC-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001282078771 864048356 /nfs/dbraw/zinc/04/83/56/864048356.db2.gz RHYDRGFKNHGKNW-PNBKFKSVSA-N 2 0 350.507 0.822 20 0 FCADRP O=C1N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001350908087 866728644 /nfs/dbraw/zinc/72/86/44/866728644.db2.gz AMXDCNIWMGNSMC-UPJWGTAASA-N 2 0 350.385 0.520 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCN1CCC2(C1)OCCO2 ZINC001351410322 866851958 /nfs/dbraw/zinc/85/19/58/866851958.db2.gz SXSCCDWDCDFXAW-INIZCTEOSA-N 2 0 354.495 0.855 20 0 FCADRP C[C@H]1C[C@@H](CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001309759238 866883439 /nfs/dbraw/zinc/88/34/39/866883439.db2.gz ZIDUMPPGMCYPFM-MWDXBVQZSA-N 2 0 361.552 0.803 20 0 FCADRP C[C@]1(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CCC[NH2+]C1 ZINC001352789014 867255286 /nfs/dbraw/zinc/25/52/86/867255286.db2.gz UCSVVXJSUFDYLZ-IBGZPJMESA-N 2 0 350.507 0.812 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001353149410 867361449 /nfs/dbraw/zinc/36/14/49/867361449.db2.gz MDCADLIJXLJGND-LMMKCTJWSA-N 2 0 350.507 0.289 20 0 FCADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458410 867427355 /nfs/dbraw/zinc/42/73/55/867427355.db2.gz REOMPSFHCSWAFJ-JKSUJKDBSA-N 2 0 354.495 0.291 20 0 FCADRP [NH3+]C[C@@H](C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C1CCCCCC1 ZINC001353612294 867455682 /nfs/dbraw/zinc/45/56/82/867455682.db2.gz AWUQGIVPWAUFQR-DLBZAZTESA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001353665666 867466564 /nfs/dbraw/zinc/46/65/64/867466564.db2.gz IRGIABKMPUBVRH-UHFFFAOYSA-N 3 0 353.511 0.617 20 0 FCADRP CN(CC[NH+]1CCCCC1)c1nnc(CN2CCC(CO)CC2)n1C ZINC001355641235 867825339 /nfs/dbraw/zinc/82/53/39/867825339.db2.gz VJDPSEVDYLEKSX-UHFFFAOYSA-N 2 0 350.511 0.942 20 0 FCADRP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473330 868008713 /nfs/dbraw/zinc/00/87/13/868008713.db2.gz RCOIDSDKSVPLSR-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)CCCC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001319963435 868047231 /nfs/dbraw/zinc/04/72/31/868047231.db2.gz JFQGNPNVAHUJQW-IAGOWNOFSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357431357 868114924 /nfs/dbraw/zinc/11/49/24/868114924.db2.gz TYWZASMRODTIHZ-BLLLJJGKSA-N 2 0 352.454 0.853 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001357558894 868131833 /nfs/dbraw/zinc/13/18/33/868131833.db2.gz ARXHNPWIPVBEIK-JKSUJKDBSA-N 2 0 354.495 0.291 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001321302221 868425391 /nfs/dbraw/zinc/42/53/91/868425391.db2.gz CJLJBPNFCJZXLP-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC001321343248 868437456 /nfs/dbraw/zinc/43/74/56/868437456.db2.gz APKQGCPSYWLKEO-ZIAGYGMSSA-N 2 0 352.504 0.877 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001322272275 868780711 /nfs/dbraw/zinc/78/07/11/868780711.db2.gz MSVRQALEUWBWLK-INIZCTEOSA-N 2 0 354.495 0.143 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001322524015 868843762 /nfs/dbraw/zinc/84/37/62/868843762.db2.gz FCQIZNABRAPEGZ-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC001325862889 870067211 /nfs/dbraw/zinc/06/72/11/870067211.db2.gz KSAXLTYJDVNFEX-HOTGVXAUSA-N 2 0 350.507 0.966 20 0 FCADRP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@@H]1CCC[NH2+]C1 ZINC001343715973 870568362 /nfs/dbraw/zinc/56/83/62/870568362.db2.gz GNYOGKIOSFPQEP-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001327086566 870660263 /nfs/dbraw/zinc/66/02/63/870660263.db2.gz DNICPJVHTBGATO-OAHLLOKOSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327855227 871112124 /nfs/dbraw/zinc/11/21/24/871112124.db2.gz HBMOLXQMGPXSND-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001345102673 871189530 /nfs/dbraw/zinc/18/95/30/871189530.db2.gz YDUUMAQYAPMPDT-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001345616077 871432107 /nfs/dbraw/zinc/43/21/07/871432107.db2.gz BDUCYZUKNKBQDK-GOSISDBHSA-N 2 0 369.531 0.741 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001328799778 871632811 /nfs/dbraw/zinc/63/28/11/871632811.db2.gz OPKHHAFBAMKUPY-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001329314920 871949107 /nfs/dbraw/zinc/94/91/07/871949107.db2.gz DCIBZONUKDJXSH-GOEBONIOSA-N 2 0 360.524 0.133 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001347182288 872204580 /nfs/dbraw/zinc/20/45/80/872204580.db2.gz DOJANKOVCGHWSY-AEFFLSMTSA-N 2 0 352.523 0.316 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1C[N@H+](C)CCN1C ZINC001347186438 872209291 /nfs/dbraw/zinc/20/92/91/872209291.db2.gz NEAKXFPMBNEYFG-ULQDDVLXSA-N 2 0 355.527 0.373 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCOCC1 ZINC001329936035 872375084 /nfs/dbraw/zinc/37/50/84/872375084.db2.gz BNLINGPNSFWGHU-AWEZNQCLSA-N 2 0 350.467 0.433 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC001347620643 872422707 /nfs/dbraw/zinc/42/27/07/872422707.db2.gz LIWKFAYYYXOXJS-DLBZAZTESA-N 2 0 355.527 0.375 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001348480052 872709327 /nfs/dbraw/zinc/70/93/27/872709327.db2.gz FJSOAQCQGOPGCA-GOSISDBHSA-N 2 0 352.523 0.485 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001331318006 873060111 /nfs/dbraw/zinc/06/01/11/873060111.db2.gz CPXBDCRCGHDISI-LBPRGKRZSA-N 2 0 356.417 0.709 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001331415407 873100032 /nfs/dbraw/zinc/10/00/32/873100032.db2.gz ISVKFHAIYURVHC-CQSZACIVSA-N 2 0 350.463 0.988 20 0 FCADRP CCN(C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC001332234357 873417874 /nfs/dbraw/zinc/41/78/74/873417874.db2.gz WPRCVIWCJJCCEH-VYDXJSESSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001332977307 873743292 /nfs/dbraw/zinc/74/32/92/873743292.db2.gz VNIWZKAVWVPCQR-BZNIZROVSA-N 2 0 354.405 0.966 20 0 FCADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574706495 949458775 /nfs/dbraw/zinc/45/87/75/949458775.db2.gz ZBMMFGQQNIOJIN-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575271789 949629309 /nfs/dbraw/zinc/62/93/09/949629309.db2.gz MDKGEQKNMMYYGH-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169958 949700512 /nfs/dbraw/zinc/70/05/12/949700512.db2.gz IJOIEODPXDBVED-CJNGLKHVSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576193612 950307632 /nfs/dbraw/zinc/30/76/32/950307632.db2.gz UTZZBORUVXXCGS-QWHCGFSZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204984 950488878 /nfs/dbraw/zinc/48/88/78/950488878.db2.gz FCKJVCWMTCPNBB-VXGBXAGGSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208960 950623492 /nfs/dbraw/zinc/62/34/92/950623492.db2.gz WEDOHKUTMFQMIN-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570995848 950998752 /nfs/dbraw/zinc/99/87/52/950998752.db2.gz YAVWBUYLHGMHQD-DOMZBBRYSA-N 2 0 358.450 0.345 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575092551 951794441 /nfs/dbraw/zinc/79/44/41/951794441.db2.gz DUGXEDJVSSTCST-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062712 951957049 /nfs/dbraw/zinc/95/70/49/951957049.db2.gz ANAIIUXOPHLTIG-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063593 951966549 /nfs/dbraw/zinc/96/65/49/951966549.db2.gz LSQJCSYNOXHKRY-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078340 952127638 /nfs/dbraw/zinc/12/76/38/952127638.db2.gz OIYPPGDTQAUDPP-OKILXGFUSA-N 2 0 370.461 0.393 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143837 952158490 /nfs/dbraw/zinc/15/84/90/952158490.db2.gz CWJBEUOWQMSHTK-XJKSGUPXSA-N 2 0 372.477 0.815 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575145348 952183423 /nfs/dbraw/zinc/18/34/23/952183423.db2.gz VYOBKELGRFAFGA-LBPRGKRZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575146007 952189877 /nfs/dbraw/zinc/18/98/77/952189877.db2.gz FPIYUCRKQFCKPW-YNEHKIRRSA-N 2 0 358.450 0.283 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575146855 952198214 /nfs/dbraw/zinc/19/82/14/952198214.db2.gz PBHBQBBOWUQYRU-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571102716 952349100 /nfs/dbraw/zinc/34/91/00/952349100.db2.gz FOWAFEDYOOXTHJ-BBRMVZONSA-N 2 0 372.477 0.673 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC[C@@H]21 ZINC000410780698 529799764 /nfs/dbraw/zinc/79/97/64/529799764.db2.gz UYORHUIBYWGXRB-ZJPYXAASSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000410848227 529861028 /nfs/dbraw/zinc/86/10/28/529861028.db2.gz YGHUJNXJWXUAIQ-ROUUACIJSA-N 2 0 360.502 0.649 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731118 529861443 /nfs/dbraw/zinc/86/14/43/529861443.db2.gz ODVWOMPWLKLFFG-KURKYZTESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC[C@@H]21 ZINC000410951732 530064827 /nfs/dbraw/zinc/06/48/27/530064827.db2.gz GDHJMVCSPXIKRI-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)(N2CCOCC2)CC1 ZINC000412463684 530049129 /nfs/dbraw/zinc/04/91/29/530049129.db2.gz NGXBNHVOJVVXAI-UHFFFAOYSA-N 2 0 350.507 0.528 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CC[C@H]21 ZINC000410720135 530058208 /nfs/dbraw/zinc/05/82/08/530058208.db2.gz QITMTGRJBMZODC-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752920 674055563 /nfs/dbraw/zinc/05/55/63/674055563.db2.gz XPRFHLTWCRMHOG-MOPGFXCFSA-N 2 0 355.523 0.381 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000331458740 215000259 /nfs/dbraw/zinc/00/02/59/215000259.db2.gz PVBBCHSPRSCECH-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000331536831 215012244 /nfs/dbraw/zinc/01/22/44/215012244.db2.gz DRBYDSYCHOJNHG-QAPCUYQASA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000331566864 215016178 /nfs/dbraw/zinc/01/61/78/215016178.db2.gz LAGHIUMBAFRHFW-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000331587421 215019572 /nfs/dbraw/zinc/01/95/72/215019572.db2.gz MQRUXMLNFVTKMW-QZWWFDLISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000331600576 215021401 /nfs/dbraw/zinc/02/14/01/215021401.db2.gz OTJMSBORMHDGKF-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000331697265 215037043 /nfs/dbraw/zinc/03/70/43/215037043.db2.gz WXFZZZLGLCRJFS-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000331728347 215040286 /nfs/dbraw/zinc/04/02/86/215040286.db2.gz ZHRPEBCTMJGRCO-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000331809188 215049661 /nfs/dbraw/zinc/04/96/61/215049661.db2.gz NQDOCMDKTYNLLK-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331839182 215054168 /nfs/dbraw/zinc/05/41/68/215054168.db2.gz UBGGYZUOMPKEDD-IKGGRYGDSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000331930339 215068617 /nfs/dbraw/zinc/06/86/17/215068617.db2.gz DTLOQDOANJHDFC-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCCC1 ZINC000332007565 215078158 /nfs/dbraw/zinc/07/81/58/215078158.db2.gz XBEGISNPQLYQAX-JYJNAYRXSA-N 2 0 350.507 0.953 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[NH2+]1 ZINC000332078972 215089129 /nfs/dbraw/zinc/08/91/29/215089129.db2.gz HUUFSOQWGQMUDH-HOTGVXAUSA-N 2 0 366.506 0.081 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)C[NH2+]1 ZINC000332098413 215091963 /nfs/dbraw/zinc/09/19/63/215091963.db2.gz XTSZWPGRCHMBPN-SRABZTEZSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000332098473 215093904 /nfs/dbraw/zinc/09/39/04/215093904.db2.gz XYEMBVVXKDKGQE-UXLLHSPISA-N 2 0 366.506 0.332 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332162030 215103183 /nfs/dbraw/zinc/10/31/83/215103183.db2.gz QCNJOAQSQQJHJT-NVXWUHKLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1C ZINC000332256067 215117059 /nfs/dbraw/zinc/11/70/59/215117059.db2.gz CSKDWMQYLUFIQJ-HMDCTGQHSA-N 2 0 350.507 0.903 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332330951 215131362 /nfs/dbraw/zinc/13/13/62/215131362.db2.gz QFNPFDYPQCGJMI-XIRDDKMYSA-N 2 0 350.507 0.809 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332462424 215156649 /nfs/dbraw/zinc/15/66/49/215156649.db2.gz JPDGJKKMVWGJBF-HRCADAONSA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000332450654 215153346 /nfs/dbraw/zinc/15/33/46/215153346.db2.gz FIEKBNMDCKGGBU-JCYILVPMSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332511423 215164917 /nfs/dbraw/zinc/16/49/17/215164917.db2.gz DTWJNMJZDXVLRX-RDJZCZTQSA-N 2 0 366.506 0.286 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000332704067 215205787 /nfs/dbraw/zinc/20/57/87/215205787.db2.gz XRAWEXPQZMYSOE-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406130 215276792 /nfs/dbraw/zinc/27/67/92/215276792.db2.gz ZICGCLIMXDCUBJ-CVEARBPZSA-N 2 0 359.478 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441007308 535111812 /nfs/dbraw/zinc/11/18/12/535111812.db2.gz CGULUQCUWJNJDZ-KRWDZBQOSA-N 2 0 369.554 0.668 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333653361 215305242 /nfs/dbraw/zinc/30/52/42/215305242.db2.gz KEYFOSOIANRTHL-CYBMUJFWSA-N 2 0 351.417 0.560 20 0 FCADRP CCOC1CC(CNC(=O)N2CCC[N@H+](CC)CC2)(N2CCOCC2)C1 ZINC000333776210 215318643 /nfs/dbraw/zinc/31/86/43/215318643.db2.gz ZHIVDOBCKDLWTM-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333838509 215324056 /nfs/dbraw/zinc/32/40/56/215324056.db2.gz NUFCXDDIXDMMBH-JZXOWHBKSA-N 2 0 363.506 0.513 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000333933073 215332582 /nfs/dbraw/zinc/33/25/82/215332582.db2.gz HLIFMPOSQYZSQW-JKSUJKDBSA-N 2 0 351.495 0.182 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCCC1 ZINC000333927528 215332346 /nfs/dbraw/zinc/33/23/46/215332346.db2.gz WMDMGOFOLWJILM-INIZCTEOSA-N 2 0 365.522 0.857 20 0 FCADRP CC(C)[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000360002496 215351729 /nfs/dbraw/zinc/35/17/29/215351729.db2.gz XYRNPXWSOANOGL-UHFFFAOYSA-N 2 0 374.551 0.490 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000285204390 213302420 /nfs/dbraw/zinc/30/24/20/213302420.db2.gz WSEJXIMYKMHBBF-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000285140899 213290716 /nfs/dbraw/zinc/29/07/16/213290716.db2.gz SQHRNNCAIRDPIN-GOSISDBHSA-N 2 0 372.513 0.878 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000285088298 213281372 /nfs/dbraw/zinc/28/13/72/213281372.db2.gz WWDTWPWOPMZNMV-INIZCTEOSA-N 2 0 350.438 0.755 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000284050277 213062869 /nfs/dbraw/zinc/06/28/69/213062869.db2.gz KFFSROSDLYCUJN-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000283918170 213034541 /nfs/dbraw/zinc/03/45/41/213034541.db2.gz DYWNTADLBIURGX-OAHLLOKOSA-N 2 0 373.501 0.761 20 0 FCADRP COC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000283926225 213035864 /nfs/dbraw/zinc/03/58/64/213035864.db2.gz MAILNETYCICITP-UHFFFAOYSA-N 2 0 362.474 0.906 20 0 FCADRP C[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732973 216024104 /nfs/dbraw/zinc/02/41/04/216024104.db2.gz YOVALNXZQMTAAB-INIZCTEOSA-N 2 0 361.490 0.998 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000366838095 216040945 /nfs/dbraw/zinc/04/09/45/216040945.db2.gz UPXYJKIPHPIXBG-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000367046317 216069236 /nfs/dbraw/zinc/06/92/36/216069236.db2.gz VTCNMVQBCCEPMA-SFHVURJKSA-N 2 0 350.507 0.480 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)N1CCOCC1 ZINC000245904828 209376999 /nfs/dbraw/zinc/37/69/99/209376999.db2.gz SWRBNDVHUHVADF-YESZJQIVSA-N 2 0 356.511 0.440 20 0 FCADRP C[C@@H]1CN(Cc2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000237627767 209355600 /nfs/dbraw/zinc/35/56/00/209355600.db2.gz DSDMCNJQJQFOEY-CALCHBBNSA-N 2 0 360.502 0.931 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000237560558 209353899 /nfs/dbraw/zinc/35/38/99/209353899.db2.gz BAZUUWGBODHEIJ-HOCLYGCPSA-N 2 0 355.504 0.775 20 0 FCADRP C[C@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237543677 209353410 /nfs/dbraw/zinc/35/34/10/209353410.db2.gz CBVVEBGBIUCSMW-HUUCEWRRSA-N 2 0 364.494 0.525 20 0 FCADRP C[NH2+]C[C@H](C)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000237299835 209350491 /nfs/dbraw/zinc/35/04/91/209350491.db2.gz FBWPRVBUKBZKEQ-HNNXBMFYSA-N 2 0 362.474 0.425 20 0 FCADRP COCC[NH2+]CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000237182218 209349234 /nfs/dbraw/zinc/34/92/34/209349234.db2.gz DWJUJVSSJIGTTE-UHFFFAOYSA-N 2 0 354.882 0.814 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)C[NH2+]C[C@H]3CCCO3)ccc2oc1=O ZINC000236990144 209346319 /nfs/dbraw/zinc/34/63/19/209346319.db2.gz WNHUUQPGRJXMGM-CQSZACIVSA-N 2 0 362.430 0.863 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000192540938 209301605 /nfs/dbraw/zinc/30/16/05/209301605.db2.gz KEFOMUCRVNLGIJ-OXFYSEKESA-N 2 0 358.486 0.967 20 0 FCADRP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1C/C=C/C[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368976318 216326133 /nfs/dbraw/zinc/32/61/33/216326133.db2.gz VLPWRAUKYJJIRT-NZGFLGKVSA-N 2 0 360.502 0.714 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038729 216338097 /nfs/dbraw/zinc/33/80/97/216338097.db2.gz OMFSYZRCXHLMSK-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372269 216390855 /nfs/dbraw/zinc/39/08/55/216390855.db2.gz HJMVANZAUQDKCY-INIZCTEOSA-N 2 0 355.527 0.375 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395167 216393371 /nfs/dbraw/zinc/39/33/71/216393371.db2.gz LDASNEOEOPXSOX-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP COCCO[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000189738388 209260448 /nfs/dbraw/zinc/26/04/48/209260448.db2.gz OLUUEFSNTZCRRL-KRWDZBQOSA-N 2 0 362.474 0.858 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000189476281 209253150 /nfs/dbraw/zinc/25/31/50/209253150.db2.gz SZMSOKXQUVBKRR-LJQANCHMSA-N 2 0 364.490 0.896 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188795307 209238531 /nfs/dbraw/zinc/23/85/31/209238531.db2.gz YRRFHTKXQOJTJM-UHFFFAOYSA-N 2 0 368.485 0.603 20 0 FCADRP CCCNC(=O)NC(=O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188282934 209229244 /nfs/dbraw/zinc/22/92/44/209229244.db2.gz RGZYLDSEVFGANJ-IBGZPJMESA-N 2 0 362.474 0.791 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000187173960 209206788 /nfs/dbraw/zinc/20/67/88/209206788.db2.gz WBROUGVIWBGUAH-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000186130561 209185952 /nfs/dbraw/zinc/18/59/52/209185952.db2.gz WUAIUUMSGVCELA-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000931480458 674116982 /nfs/dbraw/zinc/11/69/82/674116982.db2.gz CICAFHWTVUPTFS-SFHVURJKSA-N 2 0 357.495 0.747 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000414654656 245307002 /nfs/dbraw/zinc/30/70/02/245307002.db2.gz CJFBRHHEWSOVEB-MRXNPFEDSA-N 2 0 362.474 0.818 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414675247 245311960 /nfs/dbraw/zinc/31/19/60/245311960.db2.gz FNAJPRSRXXGWJV-GASCZTMLSA-N 2 0 362.474 0.960 20 0 FCADRP COc1ccc(C[N@H+](CCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)c(OC)c1 ZINC000414701240 245313903 /nfs/dbraw/zinc/31/39/03/245313903.db2.gz UMAWODSEAHEQFS-OAHLLOKOSA-N 2 0 365.474 0.695 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)C[NH+]1CCCC1 ZINC000414732230 245318529 /nfs/dbraw/zinc/31/85/29/245318529.db2.gz IJHBIWYEOOPQGW-CQSZACIVSA-N 2 0 360.458 0.955 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000414859190 245326141 /nfs/dbraw/zinc/32/61/41/245326141.db2.gz SYLKCAQIXYIDTR-QGZVFWFLSA-N 2 0 362.474 0.554 20 0 FCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000414876677 245329395 /nfs/dbraw/zinc/32/93/95/245329395.db2.gz WDXLWHFAHXXXIR-OAHLLOKOSA-N 2 0 360.458 0.907 20 0 FCADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414889114 245329827 /nfs/dbraw/zinc/32/98/27/245329827.db2.gz SUMXDTWESCAYQL-INIZCTEOSA-N 2 0 360.458 0.906 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415051727 245342677 /nfs/dbraw/zinc/34/26/77/245342677.db2.gz MLJLGNVESMWMGP-UHFFFAOYSA-N 2 0 362.474 0.745 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172646 245356937 /nfs/dbraw/zinc/35/69/37/245356937.db2.gz SYBRPLLJTZCICW-YOEHRIQHSA-N 2 0 360.458 0.905 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1 ZINC000415233081 245364766 /nfs/dbraw/zinc/36/47/66/245364766.db2.gz UVLJFNOIGPRUAI-OAHLLOKOSA-N 2 0 363.506 0.987 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000415292688 245379118 /nfs/dbraw/zinc/37/91/18/245379118.db2.gz KBCDRTGXYAMRQZ-MRXNPFEDSA-N 2 0 371.485 0.717 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c(C)c2)CC1 ZINC000415334221 245389803 /nfs/dbraw/zinc/38/98/03/245389803.db2.gz KADHNGITHOENGT-MRXNPFEDSA-N 2 0 373.501 0.896 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415341436 245392517 /nfs/dbraw/zinc/39/25/17/245392517.db2.gz GXDWPIYZKHGIJI-CQSZACIVSA-N 2 0 362.499 0.994 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000415359933 245398311 /nfs/dbraw/zinc/39/83/11/245398311.db2.gz YXHXERLXZQOOKS-MRXNPFEDSA-N 2 0 373.501 0.583 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145988 217101761 /nfs/dbraw/zinc/10/17/61/217101761.db2.gz DKOXRYCMKCVJQU-HOTGVXAUSA-N 2 0 353.511 0.175 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c(C)c2)CC1 ZINC000415458591 245417083 /nfs/dbraw/zinc/41/70/83/245417083.db2.gz WCIOTWBWIRKUEG-GOSISDBHSA-N 2 0 373.501 0.929 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417431711 245694211 /nfs/dbraw/zinc/69/42/11/245694211.db2.gz RNFYNGYOZHGHDG-OAHLLOKOSA-N 2 0 353.511 0.618 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000417435426 245694450 /nfs/dbraw/zinc/69/44/50/245694450.db2.gz YODFDOJKDHMHHU-PMPSAXMXSA-N 2 0 353.511 0.555 20 0 FCADRP CS(=O)(=O)C1(C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000375939378 217336316 /nfs/dbraw/zinc/33/63/16/217336316.db2.gz AVCYEKOOVAPWCI-UHFFFAOYSA-N 2 0 359.536 0.926 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000376081659 217354682 /nfs/dbraw/zinc/35/46/82/217354682.db2.gz MRWYEKFHOHJQES-MRXNPFEDSA-N 2 0 356.511 0.849 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418306105 245776260 /nfs/dbraw/zinc/77/62/60/245776260.db2.gz QKGVUJZKHIJZLF-WMLDXEAASA-N 2 0 367.444 0.615 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623402 245807503 /nfs/dbraw/zinc/80/75/03/245807503.db2.gz XCVZZVSRYMXHKK-XQQFMLRXSA-N 2 0 351.417 0.734 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[NH+](C)C)c1 ZINC000418858048 245871429 /nfs/dbraw/zinc/87/14/29/245871429.db2.gz IJGVLTPOUNACRU-VQIMIIECSA-N 2 0 362.474 0.611 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419126193 246001807 /nfs/dbraw/zinc/00/18/07/246001807.db2.gz VSFSVKNJUFOJKR-ILXRZTDVSA-N 2 0 354.495 0.596 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000419151133 246019778 /nfs/dbraw/zinc/01/97/78/246019778.db2.gz NDHGZJIOIHGATA-CJNGLKHVSA-N 2 0 364.515 0.930 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCc2nccn2CCc2ccccc2)CC[NH2+]1 ZINC000419154311 246020222 /nfs/dbraw/zinc/02/02/22/246020222.db2.gz QCTFMDKTEDPSPW-UHFFFAOYSA-N 2 0 369.469 0.952 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000419156214 246021763 /nfs/dbraw/zinc/02/17/63/246021763.db2.gz SNRAEESHHKJCMC-IRXDYDNUSA-N 2 0 352.523 0.929 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419158102 246023622 /nfs/dbraw/zinc/02/36/22/246023622.db2.gz XMKSLYMUFWGQSY-UHFFFAOYSA-N 2 0 364.515 0.898 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419132725 246006586 /nfs/dbraw/zinc/00/65/86/246006586.db2.gz FDLIHJLAOZFOGT-UHFFFAOYSA-N 2 0 352.504 0.930 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419132321 246006611 /nfs/dbraw/zinc/00/66/11/246006611.db2.gz HHQXWRVKOULNRJ-IHRRRGAJSA-N 2 0 356.511 0.698 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136478 246010936 /nfs/dbraw/zinc/01/09/36/246010936.db2.gz PENJOZWZCMELJB-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136475 246011048 /nfs/dbraw/zinc/01/10/48/246011048.db2.gz PENJOZWZCMELJB-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419140811 246012710 /nfs/dbraw/zinc/01/27/10/246012710.db2.gz WECBLDIZJMHPLE-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419143065 246013943 /nfs/dbraw/zinc/01/39/43/246013943.db2.gz YRQXFQFSSNACNA-FUHWJXTLSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419140814 246014008 /nfs/dbraw/zinc/01/40/08/246014008.db2.gz WECBLDIZJMHPLE-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000419146791 246015966 /nfs/dbraw/zinc/01/59/66/246015966.db2.gz IMVGSEWVCYFXTJ-INIZCTEOSA-N 2 0 364.515 0.930 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419149226 246017582 /nfs/dbraw/zinc/01/75/82/246017582.db2.gz KWAYUIVUGRNEBQ-IAGOWNOFSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000419165201 246028439 /nfs/dbraw/zinc/02/84/39/246028439.db2.gz FYCFWDQDLKKBIX-BPQIPLTHSA-N 2 0 358.486 0.473 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000419164623 246029053 /nfs/dbraw/zinc/02/90/53/246029053.db2.gz AECWBEQZDVGNFU-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419170547 246033274 /nfs/dbraw/zinc/03/32/74/246033274.db2.gz NTNHZXKOYZCTCB-SFHVURJKSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419188152 246041268 /nfs/dbraw/zinc/04/12/68/246041268.db2.gz JVLFKKPGNCBZDU-SFHVURJKSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1[NH3+] ZINC000419162978 246026310 /nfs/dbraw/zinc/02/63/10/246026310.db2.gz IIWOXAHCGXIPKU-BPQIPLTHSA-N 2 0 374.485 0.199 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419211247 246056503 /nfs/dbraw/zinc/05/65/03/246056503.db2.gz SGOZOQCKWWMOCF-FGTMMUONSA-N 2 0 356.470 0.445 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419210940 246056586 /nfs/dbraw/zinc/05/65/86/246056586.db2.gz RUXIDKRRMRIWPG-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419216238 246058313 /nfs/dbraw/zinc/05/83/13/246058313.db2.gz ZZRRVPFCLZHXTF-NUJGCVRESA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213903 246059004 /nfs/dbraw/zinc/05/90/04/246059004.db2.gz WZUVIMFWTYJVCC-MSOLQXFVSA-N 2 0 374.485 0.343 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000419216205 246059448 /nfs/dbraw/zinc/05/94/48/246059448.db2.gz ZUILCZXEGXMBCI-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419213629 246059723 /nfs/dbraw/zinc/05/97/23/246059723.db2.gz LUUVCWXTGROPIB-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419216239 246060174 /nfs/dbraw/zinc/06/01/74/246060174.db2.gz ZZRRVPFCLZHXTF-SOLBZPMBSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000419223502 246060834 /nfs/dbraw/zinc/06/08/34/246060834.db2.gz YMTPMBDADNRENK-SJORKVTESA-N 2 0 374.485 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000419218179 246061118 /nfs/dbraw/zinc/06/11/18/246061118.db2.gz RRAWEHMHJVKJBX-GASCZTMLSA-N 2 0 362.474 0.452 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419219580 246062534 /nfs/dbraw/zinc/06/25/34/246062534.db2.gz UDHGZWNPTSTANJ-RRFJBIMHSA-N 2 0 362.474 0.375 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000419220651 246062734 /nfs/dbraw/zinc/06/27/34/246062734.db2.gz VEJHMRZHVUXSIB-YOEHRIQHSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419224072 246063471 /nfs/dbraw/zinc/06/34/71/246063471.db2.gz FCMSWKJFXIIDPA-HYVNUMGLSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419224468 246064748 /nfs/dbraw/zinc/06/47/48/246064748.db2.gz FMXANBRUTBCMER-RHSMWYFYSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224542 246065203 /nfs/dbraw/zinc/06/52/03/246065203.db2.gz FUUCNQFCYOZXJY-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419198885 246047938 /nfs/dbraw/zinc/04/79/38/246047938.db2.gz ZJASDWOAGUJDKX-KRWDZBQOSA-N 2 0 362.449 0.760 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419202296 246049936 /nfs/dbraw/zinc/04/99/36/246049936.db2.gz GYZQWBYHTNOKJK-JKSUJKDBSA-N 2 0 362.474 0.629 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419202293 246050875 /nfs/dbraw/zinc/05/08/75/246050875.db2.gz GYZQWBYHTNOKJK-CVEARBPZSA-N 2 0 362.474 0.629 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419204709 246053416 /nfs/dbraw/zinc/05/34/16/246053416.db2.gz JABYUAXENRLEER-GJZGRUSLSA-N 2 0 362.474 0.452 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419229045 246069310 /nfs/dbraw/zinc/06/93/10/246069310.db2.gz NKGITDKDSVNDPQ-XYJFISCASA-N 2 0 360.502 0.985 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329933 246101292 /nfs/dbraw/zinc/10/12/92/246101292.db2.gz HKHXSDZRZAOWRK-HZCDGDGTSA-N 2 0 374.460 0.678 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340331 246104766 /nfs/dbraw/zinc/10/47/66/246104766.db2.gz WMIZQHQLWDZTDH-IUHNQTRMSA-N 2 0 374.460 0.678 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000419369766 246120929 /nfs/dbraw/zinc/12/09/29/246120929.db2.gz GBFZOSBDPQKVPA-HNNXBMFYSA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000419375103 246122164 /nfs/dbraw/zinc/12/21/64/246122164.db2.gz QBONCPGRTPBSCI-ZWKOTPCHSA-N 2 0 370.497 0.270 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)Cc2ccccc2C1 ZINC000419376666 246125143 /nfs/dbraw/zinc/12/51/43/246125143.db2.gz SLHNSCITGXKAHV-IBGZPJMESA-N 2 0 358.486 0.399 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419391310 246129226 /nfs/dbraw/zinc/12/92/26/246129226.db2.gz JSOYQVKBTIUVPY-ROUUACIJSA-N 2 0 374.485 0.126 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000419416480 246150804 /nfs/dbraw/zinc/15/08/04/246150804.db2.gz WCICNNMMXMRLFM-UNEWFSDZSA-N 2 0 364.465 0.988 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419413612 246147130 /nfs/dbraw/zinc/14/71/30/246147130.db2.gz SFXJAEQXVUIZEE-MDZRGWNJSA-N 2 0 350.507 0.683 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419417009 246149714 /nfs/dbraw/zinc/14/97/14/246149714.db2.gz HOZKSMXENBIDCB-WCXIOVBPSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000419414631 246150041 /nfs/dbraw/zinc/15/00/41/246150041.db2.gz UBDHBGSKJREHQJ-DVOMOZLQSA-N 2 0 350.438 0.753 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419393639 246132822 /nfs/dbraw/zinc/13/28/22/246132822.db2.gz NLHDJKMKIUGIOV-QGZVFWFLSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401996 246137103 /nfs/dbraw/zinc/13/71/03/246137103.db2.gz PRBCWOYFWMIEMG-AITUJVMLSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401519 246137337 /nfs/dbraw/zinc/13/73/37/246137337.db2.gz OVWSTRHODAQBDI-JOCBIADPSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407752 246142848 /nfs/dbraw/zinc/14/28/48/246142848.db2.gz YZXUMPSJEDBKGU-JFIYKMOQSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419410042 246144526 /nfs/dbraw/zinc/14/45/26/246144526.db2.gz OAJMUTGOFQRTPS-CVEARBPZSA-N 2 0 366.437 0.121 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419412013 246144806 /nfs/dbraw/zinc/14/48/06/246144806.db2.gz CGNGUAIHAVFGFW-DOTOQJQBSA-N 2 0 358.486 0.747 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419411494 246145120 /nfs/dbraw/zinc/14/51/20/246145120.db2.gz PWKIUWPIXZNSFK-HOTGVXAUSA-N 2 0 350.438 0.755 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419426287 246156622 /nfs/dbraw/zinc/15/66/22/246156622.db2.gz QRNIBOPKGDSRHB-UHFFFAOYSA-N 2 0 358.486 0.809 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419427296 246157194 /nfs/dbraw/zinc/15/71/94/246157194.db2.gz RWDJYVKHJZFMOV-ULQDDVLXSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419426739 246157501 /nfs/dbraw/zinc/15/75/01/246157501.db2.gz QWBWQQSKCQEMHH-RYQLBKOJSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419427597 246160070 /nfs/dbraw/zinc/16/00/70/246160070.db2.gz RWDJYVKHJZFMOV-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419427678 246160075 /nfs/dbraw/zinc/16/00/75/246160075.db2.gz SHJYZRFAJKBWMV-MSOLQXFVSA-N 2 0 374.485 0.434 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419418945 246151979 /nfs/dbraw/zinc/15/19/79/246151979.db2.gz YUQRPVLIPHVPPM-MAUKXSAKSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419527790 246192144 /nfs/dbraw/zinc/19/21/44/246192144.db2.gz GMLVDFGQSFXVFX-UIBIWLFHSA-N 2 0 358.486 0.832 20 0 FCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470499 246174100 /nfs/dbraw/zinc/17/41/00/246174100.db2.gz FLRXDFROEZVNAS-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475418 246177197 /nfs/dbraw/zinc/17/71/97/246177197.db2.gz DQQCXVQDZWPOED-OWCLPIDISA-N 2 0 368.522 0.844 20 0 FCADRP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419565289 246203490 /nfs/dbraw/zinc/20/34/90/246203490.db2.gz YQEZWIORJUQHLD-SDNTUTLCSA-N 2 0 362.449 0.678 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586174 246211950 /nfs/dbraw/zinc/21/19/50/246211950.db2.gz NXELNYQTAWUWAP-CXAGYDPISA-N 2 0 356.536 0.434 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000419534198 246194136 /nfs/dbraw/zinc/19/41/36/246194136.db2.gz JOVDOMFBWIOXLI-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419535429 246194331 /nfs/dbraw/zinc/19/43/31/246194331.db2.gz RYHLJDFGCPZNAJ-MDYRTPRTSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536874 246195984 /nfs/dbraw/zinc/19/59/84/246195984.db2.gz VAKBGFUFHBHHMP-BURFUSLBSA-N 2 0 358.486 0.880 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419558772 246202186 /nfs/dbraw/zinc/20/21/86/246202186.db2.gz OGUMXSKVGQRJNU-VJUNAUMWSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000419665674 246237750 /nfs/dbraw/zinc/23/77/50/246237750.db2.gz URISRMJDCAIQLV-RHSMWYFYSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665153 246238137 /nfs/dbraw/zinc/23/81/37/246238137.db2.gz SXPWAVCIYHKDOC-JZXOWHBKSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCCCC1 ZINC000419721438 246269802 /nfs/dbraw/zinc/26/98/02/246269802.db2.gz ZWLGITBEAZIADH-QZWWFDLISA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000419688987 246253139 /nfs/dbraw/zinc/25/31/39/246253139.db2.gz SHPLFTQHJAGONY-JKSUJKDBSA-N 2 0 366.506 0.191 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419697266 246253972 /nfs/dbraw/zinc/25/39/72/246253972.db2.gz WEQYREZXKYKPKQ-GJZGRUSLSA-N 2 0 368.547 0.708 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419694027 246254343 /nfs/dbraw/zinc/25/43/43/246254343.db2.gz OVTIWZCMVWDWNO-GJZGRUSLSA-N 2 0 368.547 0.850 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000419698122 246256279 /nfs/dbraw/zinc/25/62/79/246256279.db2.gz YKRZXBFNUXXBHW-CQSZACIVSA-N 2 0 354.520 0.318 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419707084 246261791 /nfs/dbraw/zinc/26/17/91/246261791.db2.gz DWRXZZPVMDDZMR-UHFFFAOYSA-N 2 0 352.866 0.492 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC3([NH3+])CCC3)CCCC2)CC1 ZINC000419751861 246283896 /nfs/dbraw/zinc/28/38/96/246283896.db2.gz LEGHGVYVTHVGRZ-UHFFFAOYSA-N 2 0 366.506 0.524 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814847 246306308 /nfs/dbraw/zinc/30/63/08/246306308.db2.gz KKKSITJCGMEEOA-RDJZCZTQSA-N 2 0 360.458 0.508 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000419757848 246285522 /nfs/dbraw/zinc/28/55/22/246285522.db2.gz JAZZRQBCOFQREY-KBPBESRZSA-N 2 0 350.438 0.583 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755721 246285546 /nfs/dbraw/zinc/28/55/46/246285546.db2.gz DVJOEAPUWXSLJP-GOEBONIOSA-N 2 0 350.438 0.617 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000419757849 246285879 /nfs/dbraw/zinc/28/58/79/246285879.db2.gz JAZZRQBCOFQREY-KGLIPLIRSA-N 2 0 350.438 0.583 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(F)(F)CN)C1CC1 ZINC000419759175 246286593 /nfs/dbraw/zinc/28/65/93/246286593.db2.gz GIJUYNCIVBPYHW-OAHLLOKOSA-N 2 0 368.428 0.723 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419755544 246287073 /nfs/dbraw/zinc/28/70/73/246287073.db2.gz DJQSWCZHNHHEAQ-HZPDHXFCSA-N 2 0 362.449 0.442 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CCC([NH3+])CC1)Cc1ccc(F)cc1 ZINC000419761557 246288799 /nfs/dbraw/zinc/28/87/99/246288799.db2.gz QAORRALUNSIHTE-UHFFFAOYSA-N 2 0 350.438 0.760 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419780160 246295117 /nfs/dbraw/zinc/29/51/17/246295117.db2.gz QDXRHAOPDWLVMU-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000419801015 246300109 /nfs/dbraw/zinc/30/01/09/246300109.db2.gz IXNFWBMWMVYDHY-INIZCTEOSA-N 2 0 366.506 0.335 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804710 246300758 /nfs/dbraw/zinc/30/07/58/246300758.db2.gz OPKBLRXJNPKLHY-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000419804256 246301678 /nfs/dbraw/zinc/30/16/78/246301678.db2.gz CWZMSFQPPHWPQU-ARFHVFGLSA-N 2 0 350.507 0.871 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419808070 246304246 /nfs/dbraw/zinc/30/42/46/246304246.db2.gz GMRKNWVLLHCRLP-WMLDXEAASA-N 2 0 362.474 0.802 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419837252 246312157 /nfs/dbraw/zinc/31/21/57/246312157.db2.gz CSBOQGNRSWRZTN-MRXNPFEDSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839708 246313819 /nfs/dbraw/zinc/31/38/19/246313819.db2.gz HUOOYWWODJDVEI-OAHLLOKOSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419846673 246317952 /nfs/dbraw/zinc/31/79/52/246317952.db2.gz QGVAXTPHQAQNMV-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419856469 246327107 /nfs/dbraw/zinc/32/71/07/246327107.db2.gz FEEHUVZKQMXWPK-MRXNPFEDSA-N 2 0 368.428 0.709 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419859267 246328321 /nfs/dbraw/zinc/32/83/21/246328321.db2.gz MZEWVERXDDBEPN-QGZVFWFLSA-N 2 0 350.507 0.827 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419862363 246333358 /nfs/dbraw/zinc/33/33/58/246333358.db2.gz BGRBCPGXFNGUQS-UHFFFAOYSA-N 2 0 356.417 0.581 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419865903 246336500 /nfs/dbraw/zinc/33/65/00/246336500.db2.gz BOJKFZRQICKRHR-ILXRZTDVSA-N 2 0 352.479 0.084 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419913548 246365529 /nfs/dbraw/zinc/36/55/29/246365529.db2.gz NBAXRDYLRZIEGD-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)CC1 ZINC000419920767 246370368 /nfs/dbraw/zinc/37/03/68/246370368.db2.gz GSIFIDWXOSAGGD-UHFFFAOYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419876819 246344183 /nfs/dbraw/zinc/34/41/83/246344183.db2.gz IHCLZYQLPDNQHG-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419876818 246344549 /nfs/dbraw/zinc/34/45/49/246344549.db2.gz IHCLZYQLPDNQHG-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000419883627 246347896 /nfs/dbraw/zinc/34/78/96/246347896.db2.gz WJNPOGGALIIACB-CVEARBPZSA-N 2 0 366.506 0.476 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419880795 246348462 /nfs/dbraw/zinc/34/84/62/246348462.db2.gz APVNLBWKJUTZCR-HNNXBMFYSA-N 2 0 350.438 0.584 20 0 FCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000419883638 246350785 /nfs/dbraw/zinc/35/07/85/246350785.db2.gz WJSABWKNFDMVBU-SJORKVTESA-N 2 0 362.474 0.277 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419889149 246353083 /nfs/dbraw/zinc/35/30/83/246353083.db2.gz GOLLUBIVSMBLQJ-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000419889292 246353123 /nfs/dbraw/zinc/35/31/23/246353123.db2.gz GWNNCNFTKOHTKQ-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893379 246353774 /nfs/dbraw/zinc/35/37/74/246353774.db2.gz LZSFKGQZGHDBPW-CQSZACIVSA-N 2 0 368.428 0.723 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419892192 246354417 /nfs/dbraw/zinc/35/44/17/246354417.db2.gz JBUIIEKXNGMXKI-GJZGRUSLSA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419890336 246354818 /nfs/dbraw/zinc/35/48/18/246354818.db2.gz MDBUQEWQZWTKFS-GASCZTMLSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901585 246360322 /nfs/dbraw/zinc/36/03/22/246360322.db2.gz UICYYQUCFPQCCY-QZTJIDSGSA-N 2 0 373.501 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901589 246360505 /nfs/dbraw/zinc/36/05/05/246360505.db2.gz UICYYQUCFPQCCY-ZWKOTPCHSA-N 2 0 373.501 0.763 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419946391 246380285 /nfs/dbraw/zinc/38/02/85/246380285.db2.gz AYYDNWAXIPZTPI-MRXNPFEDSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H](C)O1 ZINC000419971425 246397416 /nfs/dbraw/zinc/39/74/16/246397416.db2.gz WRLPCUUVIFZCKU-BFYDXBDKSA-N 2 0 368.522 0.626 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420453025 246564118 /nfs/dbraw/zinc/56/41/18/246564118.db2.gz UAYRMMPHONLKEX-LSDHHAIUSA-N 2 0 355.508 0.434 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423362399 247011384 /nfs/dbraw/zinc/01/13/84/247011384.db2.gz HPYCVITZZLAONI-ZIAGYGMSSA-N 2 0 352.504 0.834 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423364105 247014415 /nfs/dbraw/zinc/01/44/15/247014415.db2.gz JLSRYEIUYHBKQQ-QGZVFWFLSA-N 2 0 352.504 0.836 20 0 FCADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CC[NH2+]CC1 ZINC000423380585 247014868 /nfs/dbraw/zinc/01/48/68/247014868.db2.gz HENLRVUVWVQMCY-TUVASFSCSA-N 2 0 350.429 0.569 20 0 FCADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398547 247019868 /nfs/dbraw/zinc/01/98/68/247019868.db2.gz VOXFKDUERJSMNW-JHJVBQTASA-N 2 0 357.442 0.768 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423198255 246977343 /nfs/dbraw/zinc/97/73/43/246977343.db2.gz DXJBZZHOSJGJOD-HDICACEKSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423309170 247001607 /nfs/dbraw/zinc/00/16/07/247001607.db2.gz PLLKMIJYIAIECP-KBAYOESNSA-N 2 0 358.486 0.773 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423318852 247004499 /nfs/dbraw/zinc/00/44/99/247004499.db2.gz ZMMDJARDQCHQOD-UHFFFAOYSA-N 2 0 354.495 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@@H](C)[NH2+]1 ZINC000423567459 247054491 /nfs/dbraw/zinc/05/44/91/247054491.db2.gz CXSCYGICTNWXAX-LMSBXDPUSA-N 2 0 373.501 0.742 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423569683 247056804 /nfs/dbraw/zinc/05/68/04/247056804.db2.gz SGYPVDJIRDFICM-HOCLYGCPSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000423443876 247027145 /nfs/dbraw/zinc/02/71/45/247027145.db2.gz KWWPXOXFGQCIJW-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000423473866 247032672 /nfs/dbraw/zinc/03/26/72/247032672.db2.gz QYCOLZMKGLSDAW-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423486960 247035258 /nfs/dbraw/zinc/03/52/58/247035258.db2.gz WXFYWGPCSACCTH-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000423676265 247107138 /nfs/dbraw/zinc/10/71/38/247107138.db2.gz FVNJKJQEZIJJRS-HDICACEKSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[C@H]1[NH3+] ZINC000423608152 247072690 /nfs/dbraw/zinc/07/26/90/247072690.db2.gz KGBLJXXDGIWMLK-UKRRQHHQSA-N 2 0 352.504 0.834 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423608724 247075363 /nfs/dbraw/zinc/07/53/63/247075363.db2.gz OKBMTLHJCCIPMB-NZSAHSFTSA-N 2 0 370.497 0.787 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423616427 247077026 /nfs/dbraw/zinc/07/70/26/247077026.db2.gz FPIFHBDFAJBGEQ-HXUWFJFHSA-N 2 0 356.470 0.543 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000423621953 247079892 /nfs/dbraw/zinc/07/98/92/247079892.db2.gz LOBVUBDORZJXIQ-ZBFHGGJFSA-N 2 0 352.479 0.038 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423652976 247094010 /nfs/dbraw/zinc/09/40/10/247094010.db2.gz XFDJRZAEVFFGOG-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423651910 247094914 /nfs/dbraw/zinc/09/49/14/247094914.db2.gz WLTSFNCQKZMTEF-GBESFXJTSA-N 2 0 370.497 0.917 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@H]1CC[NH2+]C1 ZINC000423665795 247101112 /nfs/dbraw/zinc/10/11/12/247101112.db2.gz RDGDLTTZSNCSFJ-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423747785 247137875 /nfs/dbraw/zinc/13/78/75/247137875.db2.gz PZLYEEDWIHZODM-HOTGVXAUSA-N 2 0 355.479 0.631 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423756206 247139651 /nfs/dbraw/zinc/13/96/51/247139651.db2.gz GITFHBDIAXEWPB-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000423918490 247151660 /nfs/dbraw/zinc/15/16/60/247151660.db2.gz POJLXAGYRAOSGA-JYJNAYRXSA-N 2 0 353.442 0.217 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423700752 247116205 /nfs/dbraw/zinc/11/62/05/247116205.db2.gz UWZSPEZAMJLWEH-SFHVURJKSA-N 2 0 350.463 0.757 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000423721250 247125642 /nfs/dbraw/zinc/12/56/42/247125642.db2.gz FITXFEKCCNERQN-FGTMMUONSA-N 2 0 372.444 0.552 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423724834 247125992 /nfs/dbraw/zinc/12/59/92/247125992.db2.gz RWTGQSDMQMFQOK-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423730588 247131434 /nfs/dbraw/zinc/13/14/34/247131434.db2.gz LIVCPDJZLDTXJQ-HOCLYGCPSA-N 2 0 350.463 0.756 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423748606 247137008 /nfs/dbraw/zinc/13/70/08/247137008.db2.gz ZRMCWTCZUFXTAX-NVXWUHKLSA-N 2 0 367.538 0.057 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536864 247254761 /nfs/dbraw/zinc/25/47/61/247254761.db2.gz BRMXRDVJXFICFJ-FCGDIQPGSA-N 2 0 370.497 0.963 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424522056 247250124 /nfs/dbraw/zinc/25/01/24/247250124.db2.gz MMWAZTHZVUYVNU-CVEARBPZSA-N 2 0 366.506 0.204 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000424441533 247215593 /nfs/dbraw/zinc/21/55/93/247215593.db2.gz TWORDOJOGGRYPT-QGZVFWFLSA-N 2 0 362.474 0.865 20 0 FCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444858 247217519 /nfs/dbraw/zinc/21/75/19/247217519.db2.gz DHNYPXAOWPCFAY-MRXNPFEDSA-N 2 0 350.463 0.865 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424470121 247229467 /nfs/dbraw/zinc/22/94/67/247229467.db2.gz AVAYPMVIPXGEQM-BHYGNILZSA-N 2 0 364.494 0.357 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000425478022 247344719 /nfs/dbraw/zinc/34/47/19/247344719.db2.gz OPZNJILDSJLPHK-QGZVFWFLSA-N 2 0 369.554 0.622 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425675045 247361085 /nfs/dbraw/zinc/36/10/85/247361085.db2.gz DVGQHPWWAHZGKM-OKZBNKHCSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000436047720 248028941 /nfs/dbraw/zinc/02/89/41/248028941.db2.gz JBPLKSFRJZQBCW-DLBZAZTESA-N 2 0 352.523 0.820 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436058176 248031555 /nfs/dbraw/zinc/03/15/55/248031555.db2.gz IAVDEZDBITUVGN-KRWDZBQOSA-N 2 0 367.538 0.295 20 0 FCADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000438878570 248099072 /nfs/dbraw/zinc/09/90/72/248099072.db2.gz CGHZPRQBGUCBMJ-MRXNPFEDSA-N 2 0 355.504 0.905 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000439131707 248111548 /nfs/dbraw/zinc/11/15/48/248111548.db2.gz IHHBOCBJEKVNSV-RDJZCZTQSA-N 2 0 361.552 0.995 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000442583124 248291703 /nfs/dbraw/zinc/29/17/03/248291703.db2.gz KLERGOKUVDRACQ-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442760911 248295643 /nfs/dbraw/zinc/29/56/43/248295643.db2.gz OHKIVHOFZXBTDL-UMVBOHGHSA-N 2 0 368.503 0.050 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443069678 248306191 /nfs/dbraw/zinc/30/61/91/248306191.db2.gz KGYBAJUMRPGTKK-CYBMUJFWSA-N 2 0 354.476 0.723 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000444169454 248349516 /nfs/dbraw/zinc/34/95/16/248349516.db2.gz KGRQONCRSXIUQK-CLCXKQKWSA-N 2 0 368.522 0.578 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000444169455 248349942 /nfs/dbraw/zinc/34/99/42/248349942.db2.gz KGRQONCRSXIUQK-KHYOSLBOSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444258665 248353697 /nfs/dbraw/zinc/35/36/97/248353697.db2.gz JSBQGYQMMKDUFF-VQIMIIECSA-N 2 0 358.490 0.495 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000444265632 248353730 /nfs/dbraw/zinc/35/37/30/248353730.db2.gz LSNAFYVAXSEWNX-GOSISDBHSA-N 2 0 352.523 0.630 20 0 FCADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CO2 ZINC000453109380 249342633 /nfs/dbraw/zinc/34/26/33/249342633.db2.gz ALHLRLDTCDCMNB-GOSISDBHSA-N 2 0 363.502 0.978 20 0 FCADRP C[N@H+](C[C@@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038557 249343156 /nfs/dbraw/zinc/34/31/56/249343156.db2.gz NUVHVMDSVRFUHD-KURKYZTESA-N 2 0 357.454 0.559 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@H](NC(N)=O)C2)CC1 ZINC000270664003 211243450 /nfs/dbraw/zinc/24/34/50/211243450.db2.gz KPIVVPCVPHKHSN-SFHVURJKSA-N 2 0 373.501 0.772 20 0 FCADRP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470019450 250021058 /nfs/dbraw/zinc/02/10/58/250021058.db2.gz UAYBBMNUZVAXSA-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000471662258 250114110 /nfs/dbraw/zinc/11/41/10/250114110.db2.gz BLKWEJFMPOMMKV-IBGZPJMESA-N 2 0 364.490 0.501 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000472978542 250190934 /nfs/dbraw/zinc/19/09/34/250190934.db2.gz NXNOMILXLRWFSX-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000473002029 250193445 /nfs/dbraw/zinc/19/34/45/250193445.db2.gz POSVYJVSLUCKKR-DLBZAZTESA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000480870920 250290832 /nfs/dbraw/zinc/29/08/32/250290832.db2.gz CCNOQLPIXWKATL-IYBDPMFKSA-N 2 0 370.538 0.554 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000481162264 250320277 /nfs/dbraw/zinc/32/02/77/250320277.db2.gz CCSWSPWIOMLSNF-BRSBDYLESA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879240 250370043 /nfs/dbraw/zinc/37/00/43/250370043.db2.gz NDRSWWXIWMNJEH-HOTGVXAUSA-N 2 0 368.522 0.044 20 0 FCADRP Cc1cc(O)cc(=O)n1CCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000267883316 210658281 /nfs/dbraw/zinc/65/82/81/210658281.db2.gz YFCGKNBUVREFAR-UHFFFAOYSA-N 2 0 366.506 0.984 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@H+](C)C1 ZINC000413616180 532989845 /nfs/dbraw/zinc/98/98/45/532989845.db2.gz RZUIQIXLQNVVGA-CQSZACIVSA-N 2 0 352.479 0.750 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413150822 532995685 /nfs/dbraw/zinc/99/56/85/532995685.db2.gz VWBOPAUUJSQZPG-JKSUJKDBSA-N 2 0 354.495 0.855 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000073236667 208046903 /nfs/dbraw/zinc/04/69/03/208046903.db2.gz RLPNLGPNFBDFCK-QGZVFWFLSA-N 2 0 368.522 0.851 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000072985271 208045324 /nfs/dbraw/zinc/04/53/24/208045324.db2.gz KYQJPDIERNVIGH-HNNXBMFYSA-N 2 0 362.474 0.976 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077569909 208073993 /nfs/dbraw/zinc/07/39/93/208073993.db2.gz NTBARGAOCPWCNF-INIZCTEOSA-N 2 0 356.511 0.755 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867653 208287018 /nfs/dbraw/zinc/28/70/18/208287018.db2.gz JEUHVLZQWGWKNV-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884425 209062996 /nfs/dbraw/zinc/06/29/96/209062996.db2.gz MTLRMFQQYLWEDL-WOJBJXKFSA-N 2 0 374.529 0.810 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CCN(Cc2ccco2)CC1 ZINC000178879580 209063725 /nfs/dbraw/zinc/06/37/25/209063725.db2.gz SBRXPVCCVSOWHO-QGZVFWFLSA-N 2 0 372.473 0.928 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000178884501 209063863 /nfs/dbraw/zinc/06/38/63/209063863.db2.gz LCJUVKZBWAGKFH-PMACEKPBSA-N 2 0 374.529 0.982 20 0 FCADRP Cc1cc(N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)nc(C(C)C)n1 ZINC000179775597 209087098 /nfs/dbraw/zinc/08/70/98/209087098.db2.gz YGVGWOMHAYLCPM-UHFFFAOYSA-N 2 0 372.473 0.628 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC[N@H+](C)C1 ZINC000413375534 533479655 /nfs/dbraw/zinc/47/96/55/533479655.db2.gz MXULALXZPHHQEN-CVEARBPZSA-N 2 0 354.495 0.711 20 0 FCADRP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000190214324 229259329 /nfs/dbraw/zinc/25/93/29/229259329.db2.gz IBSGBDQUZILSIM-AWEZNQCLSA-N 2 0 352.483 0.754 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410436039 230079955 /nfs/dbraw/zinc/07/99/55/230079955.db2.gz RABCMKLQINGISP-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466548 230090184 /nfs/dbraw/zinc/09/01/84/230090184.db2.gz IZIZCYICTGPOLK-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000410954966 230323780 /nfs/dbraw/zinc/32/37/80/230323780.db2.gz QHNWFZFLOFLBTI-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933845323 674276562 /nfs/dbraw/zinc/27/65/62/674276562.db2.gz BRCZBDFJHRMOJI-MRXNPFEDSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)c1nc(N(C)C)nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000301969987 488885928 /nfs/dbraw/zinc/88/59/28/488885928.db2.gz QYTLMEHBONWWHM-AWEZNQCLSA-N 2 0 361.494 0.980 20 0 FCADRP C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccncc3C(N)=O)CC2)C1 ZINC000302038010 488886912 /nfs/dbraw/zinc/88/69/12/488886912.db2.gz QFLIDQAJEQPPDB-GJZGRUSLSA-N 2 0 359.474 0.807 20 0 FCADRP O=C(CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000562790043 491189773 /nfs/dbraw/zinc/18/97/73/491189773.db2.gz SVQRSNQLTBVSHS-KRWDZBQOSA-N 2 0 359.474 0.555 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940342 488895774 /nfs/dbraw/zinc/89/57/74/488895774.db2.gz PNNORQYBMFQVTG-RBUKOAKNSA-N 2 0 370.497 0.789 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000325088358 488908238 /nfs/dbraw/zinc/90/82/38/488908238.db2.gz MKSYCPMNUOXZEE-MRXNPFEDSA-N 2 0 355.504 0.907 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000327627815 488920307 /nfs/dbraw/zinc/92/03/07/488920307.db2.gz OHQSWDHTOQQOHR-AWEZNQCLSA-N 2 0 358.442 0.460 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1(C)C ZINC000328242444 488922170 /nfs/dbraw/zinc/92/21/70/488922170.db2.gz AHXIKPSOIWKCOF-GPMSIDNRSA-N 2 0 354.539 0.907 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959593 488152884 /nfs/dbraw/zinc/15/28/84/488152884.db2.gz SEZCGZSOMSMSFM-OAHLLOKOSA-N 2 0 366.506 0.143 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000562815629 491192022 /nfs/dbraw/zinc/19/20/22/491192022.db2.gz DNRAHZXJOIZLOO-UONOGXRCSA-N 2 0 365.444 0.804 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000562816087 491192110 /nfs/dbraw/zinc/19/21/10/491192110.db2.gz TXLHAYOBNPQLKE-JKSUJKDBSA-N 2 0 351.495 0.324 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069858390 488374181 /nfs/dbraw/zinc/37/41/81/488374181.db2.gz OGFVCTAYQHEFRO-KRWDZBQOSA-N 2 0 352.523 0.631 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069936756 488374761 /nfs/dbraw/zinc/37/47/61/488374761.db2.gz OHKWOXXTIUBXAB-RCCFBDPRSA-N 2 0 366.506 0.603 20 0 FCADRP C[C@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](C)C3)CC2)C[C@H]1C ZINC000072872152 488383229 /nfs/dbraw/zinc/38/32/29/488383229.db2.gz DRRWVBXBLFEDMT-USTZCAOPSA-N 2 0 364.534 0.833 20 0 FCADRP C[C@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](C)C3)CC2)C[C@@H]1C ZINC000072872155 488383295 /nfs/dbraw/zinc/38/32/95/488383295.db2.gz DRRWVBXBLFEDMT-XLAORIBOSA-N 2 0 364.534 0.833 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073639646 488385553 /nfs/dbraw/zinc/38/55/53/488385553.db2.gz ZCENAEFAQVHCAO-UHFFFAOYSA-N 2 0 352.523 0.775 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315933 488390397 /nfs/dbraw/zinc/39/03/97/488390397.db2.gz BROQIMZNGVPOQN-IAGOWNOFSA-N 2 0 350.507 0.587 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345535 488390720 /nfs/dbraw/zinc/39/07/20/488390720.db2.gz GOAXCXGRZZLJBO-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000074345364 488390789 /nfs/dbraw/zinc/39/07/89/488390789.db2.gz DQYIQAXKTJEUCK-IRXDYDNUSA-N 2 0 365.522 0.844 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000074345243 488390931 /nfs/dbraw/zinc/39/09/31/488390931.db2.gz VGBLAMSQXZDBNL-DLBZAZTESA-N 2 0 365.522 0.844 20 0 FCADRP [NH3+][C@H]1C[C@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824722 491195901 /nfs/dbraw/zinc/19/59/01/491195901.db2.gz DSVWRCKKIJYPSY-IRXDYDNUSA-N 2 0 369.473 0.754 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000554336681 491196268 /nfs/dbraw/zinc/19/62/68/491196268.db2.gz IJWPVQUBDCQYTB-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000077208645 488409408 /nfs/dbraw/zinc/40/94/08/488409408.db2.gz GETGWUIGXZPVPO-JKSUJKDBSA-N 2 0 351.495 0.454 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190696873 488418077 /nfs/dbraw/zinc/41/80/77/488418077.db2.gz MTEOLEUFRLZTKW-UHFFFAOYSA-N 2 0 364.494 0.718 20 0 FCADRP COCCN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000193139491 488426457 /nfs/dbraw/zinc/42/64/57/488426457.db2.gz LBYLZCFRDKOHSA-QGZVFWFLSA-N 2 0 355.527 0.232 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058893 488426750 /nfs/dbraw/zinc/42/67/50/488426750.db2.gz XNAOTWQRVRLRCP-NVXWUHKLSA-N 2 0 365.522 0.807 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000569843005 491197716 /nfs/dbraw/zinc/19/77/16/491197716.db2.gz RRCHTMOOOYLMLD-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000080061176 488433551 /nfs/dbraw/zinc/43/35/51/488433551.db2.gz RSYKIKHCUJOKGI-UHFFFAOYSA-N 2 0 359.474 0.850 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc2c(c1)CCC2 ZINC000081737727 488444049 /nfs/dbraw/zinc/44/40/49/488444049.db2.gz IGLRYBSHEFZKNF-UHFFFAOYSA-N 2 0 360.502 0.857 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC000246491756 488473653 /nfs/dbraw/zinc/47/36/53/488473653.db2.gz SMSJNGDKWHLEKN-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000093769467 488479988 /nfs/dbraw/zinc/47/99/88/488479988.db2.gz RCUIBBDBYWTKFL-UHFFFAOYSA-N 2 0 366.506 0.654 20 0 FCADRP COc1cc(CNC(=O)C[C@H]2C[NH2+]CCO2)ccc1OCC[NH+](C)C ZINC000269260648 488483874 /nfs/dbraw/zinc/48/38/74/488483874.db2.gz VLOQXTGUTHXBSE-HNNXBMFYSA-N 2 0 351.447 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247558297 488487511 /nfs/dbraw/zinc/48/75/11/488487511.db2.gz ZWIYIKSYTKOWGY-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102050400 488497456 /nfs/dbraw/zinc/49/74/56/488497456.db2.gz MLRNLLGNARAXQT-KRWDZBQOSA-N 2 0 365.522 0.855 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000248567520 488498263 /nfs/dbraw/zinc/49/82/63/488498263.db2.gz BZPXZVBMKVPFPL-CVEARBPZSA-N 2 0 355.527 0.109 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000248657429 488500024 /nfs/dbraw/zinc/50/00/24/488500024.db2.gz ALEUNSAFMJFGGH-HZPDHXFCSA-N 2 0 369.535 0.776 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000104800581 488505731 /nfs/dbraw/zinc/50/57/31/488505731.db2.gz LIAPRKIAIVDUGS-INIZCTEOSA-N 2 0 353.511 0.557 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)CN1CCOCC1 ZINC000249087595 488506208 /nfs/dbraw/zinc/50/62/08/488506208.db2.gz FZJNTNWEDJTKEC-JKSUJKDBSA-N 2 0 356.511 0.441 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)COC1CCOCC1 ZINC000563011636 491207560 /nfs/dbraw/zinc/20/75/60/491207560.db2.gz NFINADRONMZJMY-OALUTQOASA-N 2 0 364.486 0.899 20 0 FCADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)COC1CCOCC1 ZINC000563011646 491207738 /nfs/dbraw/zinc/20/77/38/491207738.db2.gz NFINADRONMZJMY-RTBURBONSA-N 2 0 364.486 0.899 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261730976 488533394 /nfs/dbraw/zinc/53/33/94/488533394.db2.gz JVXDJDJZHLHIKC-UXLLHSPISA-N 2 0 360.458 0.829 20 0 FCADRP CN(CC(F)(F)F)C(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261762915 488534677 /nfs/dbraw/zinc/53/46/77/488534677.db2.gz GAIZFUYVUQGDRY-CHWSQXEVSA-N 2 0 364.412 0.587 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000112466025 488534806 /nfs/dbraw/zinc/53/48/06/488534806.db2.gz SJORQUFFXDRZQW-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261843562 488538150 /nfs/dbraw/zinc/53/81/50/488538150.db2.gz LSXATZGWJMAZKO-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP CC1CC[NH+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000114587380 488541720 /nfs/dbraw/zinc/54/17/20/488541720.db2.gz ZOILJUVCIFFRPF-UHFFFAOYSA-N 2 0 369.554 0.408 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000262029777 488546930 /nfs/dbraw/zinc/54/69/30/488546930.db2.gz BIYCJHKTTKVGLV-GDBMZVCRSA-N 2 0 359.536 0.780 20 0 FCADRP COc1ccc(C[N@H+](CCO)CCC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000262089889 488549560 /nfs/dbraw/zinc/54/95/60/488549560.db2.gz LIXROYLBCBPSEJ-UHFFFAOYSA-N 2 0 351.447 0.320 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000262098755 488550178 /nfs/dbraw/zinc/55/01/78/488550178.db2.gz SPVNQQHPODHFOG-OAHLLOKOSA-N 2 0 368.503 0.224 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3=CC[N@H+](C)CC3)cn2)CC1 ZINC000272123922 488563687 /nfs/dbraw/zinc/56/36/87/488563687.db2.gz UKCRFQFLEIKWLE-UHFFFAOYSA-N 2 0 358.490 0.895 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000121364142 488567325 /nfs/dbraw/zinc/56/73/25/488567325.db2.gz RAMNWQIBAANGAS-SFHVURJKSA-N 2 0 352.479 0.739 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262459798 488571594 /nfs/dbraw/zinc/57/15/94/488571594.db2.gz WXRPQIGBDXGHHM-DOTOQJQBSA-N 2 0 360.458 0.701 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1)[C@@H]1CCC[NH2+]1 ZINC000122013080 488574020 /nfs/dbraw/zinc/57/40/20/488574020.db2.gz IVGMXPHDIMPPOZ-SNRMKQJTSA-N 2 0 370.497 0.980 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000262575300 488578513 /nfs/dbraw/zinc/57/85/13/488578513.db2.gz IHTNYLZSMHWOSA-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1 ZINC000262643002 488584088 /nfs/dbraw/zinc/58/40/88/488584088.db2.gz LTEXNJLCWNPGBZ-QGZVFWFLSA-N 2 0 352.523 0.901 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000124161909 488590195 /nfs/dbraw/zinc/59/01/95/488590195.db2.gz LQZIZDINYKRYBN-GOSISDBHSA-N 2 0 352.479 0.739 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262897045 488598120 /nfs/dbraw/zinc/59/81/20/488598120.db2.gz PDIBZIZZCJXQAH-DLBZAZTESA-N 2 0 362.474 0.364 20 0 FCADRP [NH3+]C1CCC(OCC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000563064555 491211845 /nfs/dbraw/zinc/21/18/45/491211845.db2.gz REWCIXKBDDOQBF-UHFFFAOYSA-N 2 0 362.478 0.001 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc(CN2CCOCC2)c1 ZINC000563064941 491211957 /nfs/dbraw/zinc/21/19/57/491211957.db2.gz QRNURMWHRVYRRP-GOSISDBHSA-N 2 0 374.485 0.393 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000273042446 488627247 /nfs/dbraw/zinc/62/72/47/488627247.db2.gz VKTXZYZAXVRUID-UHFFFAOYSA-N 2 0 370.519 0.680 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129830220 488634147 /nfs/dbraw/zinc/63/41/47/488634147.db2.gz SMZOBQHBHLWJAV-HZPDHXFCSA-N 2 0 353.511 0.522 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000130528527 488637864 /nfs/dbraw/zinc/63/78/64/488637864.db2.gz AWAZFKBFKIKVEM-RUZDIDTESA-N 2 0 368.503 0.314 20 0 FCADRP CC(C)Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000130547698 488638263 /nfs/dbraw/zinc/63/82/63/488638263.db2.gz KPTMLFYZZGTQED-UHFFFAOYSA-N 2 0 352.483 0.429 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130660565 488639363 /nfs/dbraw/zinc/63/93/63/488639363.db2.gz SEZHQXQRYVKCBM-JKSUJKDBSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000131822306 488648709 /nfs/dbraw/zinc/64/87/09/488648709.db2.gz AYHHHAKSKBGKFM-UHFFFAOYSA-N 2 0 364.429 0.759 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000132063467 488650550 /nfs/dbraw/zinc/65/05/50/488650550.db2.gz JIHWDWFVYMAEAS-CRAIPNDOSA-N 2 0 358.486 0.747 20 0 FCADRP COc1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ncn1 ZINC000273918664 488674985 /nfs/dbraw/zinc/67/49/85/488674985.db2.gz IMNQSUMLWLOWEO-UHFFFAOYSA-N 2 0 366.466 0.156 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136835345 488679081 /nfs/dbraw/zinc/67/90/81/488679081.db2.gz PGJBLPJAFQMJMO-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000274694367 488727947 /nfs/dbraw/zinc/72/79/47/488727947.db2.gz VVFFRDIVHOEFDB-UHFFFAOYSA-N 2 0 366.506 0.783 20 0 FCADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2nccn2C)CC1 ZINC000266967151 488748395 /nfs/dbraw/zinc/74/83/95/488748395.db2.gz YMYMUQPDJCSMDN-CYBMUJFWSA-N 2 0 356.430 0.668 20 0 FCADRP Cn1cc(S(N)(=O)=O)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000267254983 488772720 /nfs/dbraw/zinc/77/27/20/488772720.db2.gz ZYXJAETZYKYRKR-UHFFFAOYSA-N 2 0 373.523 0.018 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000159058257 488782602 /nfs/dbraw/zinc/78/26/02/488782602.db2.gz GOADNLAIYPQUDU-UHFFFAOYSA-N 2 0 365.453 0.921 20 0 FCADRP Cc1ccn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(=O)c1 ZINC000277978625 488795355 /nfs/dbraw/zinc/79/53/55/488795355.db2.gz JBAVZLVEKMOLCM-UHFFFAOYSA-N 2 0 369.469 0.880 20 0 FCADRP Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000164286889 488810024 /nfs/dbraw/zinc/81/00/24/488810024.db2.gz LBMVWLOCZQGXSM-ZIAGYGMSSA-N 2 0 364.494 0.740 20 0 FCADRP CN(C)CCN(CCN(C)C)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000165677798 488811127 /nfs/dbraw/zinc/81/11/27/488811127.db2.gz SXDBDCDBLJALSP-UHFFFAOYSA-N 2 0 370.519 0.595 20 0 FCADRP O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000166186077 488811575 /nfs/dbraw/zinc/81/15/75/488811575.db2.gz HFASCUIDKAQLMX-INIZCTEOSA-N 2 0 360.458 0.687 20 0 FCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000168951064 488812767 /nfs/dbraw/zinc/81/27/67/488812767.db2.gz MXYCJHDAKRBYID-QGZVFWFLSA-N 2 0 373.505 0.703 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000171202374 488821009 /nfs/dbraw/zinc/82/10/09/488821009.db2.gz YCOXRCGFFXZVOG-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1 ZINC000171298216 488821861 /nfs/dbraw/zinc/82/18/61/488821861.db2.gz BLIJKECXNZLXHD-UHFFFAOYSA-N 2 0 362.474 0.914 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000171319920 488822266 /nfs/dbraw/zinc/82/22/66/488822266.db2.gz ISCSZGPDALHKEK-QGZVFWFLSA-N 2 0 361.490 0.871 20 0 FCADRP O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000570188943 491223275 /nfs/dbraw/zinc/22/32/75/491223275.db2.gz OHCWFRPYHVBZKS-UHFFFAOYSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000171658007 488825563 /nfs/dbraw/zinc/82/55/63/488825563.db2.gz QBEAWIRAFPWOHI-GJZGRUSLSA-N 2 0 354.495 0.012 20 0 FCADRP Cc1cc(NC(=O)CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)no1 ZINC000171657392 488825639 /nfs/dbraw/zinc/82/56/39/488825639.db2.gz MKWALIOREBSQPI-UHFFFAOYSA-N 2 0 351.451 0.701 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000175772975 488855376 /nfs/dbraw/zinc/85/53/76/488855376.db2.gz AKPFAEKAIXBXJL-QZTJIDSGSA-N 2 0 368.570 0.053 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176196691 488857574 /nfs/dbraw/zinc/85/75/74/488857574.db2.gz OASIHYUZVGSXRL-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CCN(C(=O)[C@@H](C)N(C)CCCn1ccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000181075980 488863002 /nfs/dbraw/zinc/86/30/02/488863002.db2.gz KXTFYJHTWBPGBS-CABCVRRESA-N 2 0 356.492 0.629 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000181405576 488863239 /nfs/dbraw/zinc/86/32/39/488863239.db2.gz UQJVXIBWJRCQIJ-USTZCAOPSA-N 2 0 364.534 0.929 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000364751882 488996565 /nfs/dbraw/zinc/99/65/65/488996565.db2.gz VQYAWQGSWIEBSI-KRWDZBQOSA-N 2 0 359.474 0.955 20 0 FCADRP C[C@H](CO)[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916732 489017503 /nfs/dbraw/zinc/01/75/03/489017503.db2.gz OLACQGPJBJNYNY-MJGOQNOKSA-N 2 0 362.518 0.794 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000365143965 489043016 /nfs/dbraw/zinc/04/30/16/489043016.db2.gz NRBDPEBHVNTTAU-BBWFWOEESA-N 2 0 368.522 0.584 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)CC1 ZINC000289145143 489045345 /nfs/dbraw/zinc/04/53/45/489045345.db2.gz FYMAODBBNVPTFU-HXUWFJFHSA-N 2 0 371.529 0.554 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184375 489047616 /nfs/dbraw/zinc/04/76/16/489047616.db2.gz NHXMXPLLHOUFJP-MSOLQXFVSA-N 2 0 366.506 0.603 20 0 FCADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000365339666 489065637 /nfs/dbraw/zinc/06/56/37/489065637.db2.gz ULLPESVEPSMOFL-QGZVFWFLSA-N 2 0 353.511 0.034 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000570294901 491231251 /nfs/dbraw/zinc/23/12/51/491231251.db2.gz XHUKAWUNKXHERU-KCQAQPDRSA-N 2 0 350.488 0.725 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000289673899 489085270 /nfs/dbraw/zinc/08/52/70/489085270.db2.gz DGUOCCPBORLLRH-WBVHZDCISA-N 2 0 362.474 0.594 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365690114 489100773 /nfs/dbraw/zinc/10/07/73/489100773.db2.gz DBUICCSMHQIPCC-XNJGSVPQSA-N 2 0 350.467 0.305 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000289953420 489105199 /nfs/dbraw/zinc/10/51/99/489105199.db2.gz PGZIWTUMLPLQOL-MRXNPFEDSA-N 2 0 351.447 0.566 20 0 FCADRP C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281868739 489112817 /nfs/dbraw/zinc/11/28/17/489112817.db2.gz OQUIVCMGRCYGHH-WBVHZDCISA-N 2 0 374.489 0.418 20 0 FCADRP C[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1CCN(C)CC1 ZINC000290326499 489131673 /nfs/dbraw/zinc/13/16/73/489131673.db2.gz AFWUKTXWOQSRRS-INIZCTEOSA-N 2 0 363.506 0.664 20 0 FCADRP C[C@@H]1OCC[C@@]12CN(C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)CCO2 ZINC000366308389 489169268 /nfs/dbraw/zinc/16/92/68/489169268.db2.gz HLTWTGRFNZARMR-FRQCXROJSA-N 2 0 366.506 0.744 20 0 FCADRP C[C@@H]1OCC[C@]12CN(C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)CCO2 ZINC000366308386 489169604 /nfs/dbraw/zinc/16/96/04/489169604.db2.gz HLTWTGRFNZARMR-BXWFABGCSA-N 2 0 366.506 0.744 20 0 FCADRP COCC[NH+](CCO)Cc1cc(C[N@@H+](CCO)CCOC)cc(OC)c1 ZINC000292778783 489179100 /nfs/dbraw/zinc/17/91/00/489179100.db2.gz YWBZSNIGQGAHFT-UHFFFAOYSA-N 2 0 370.490 0.577 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000366553468 489193696 /nfs/dbraw/zinc/19/36/96/489193696.db2.gz GZTSVJVBRGGVDR-MAUKXSAKSA-N 2 0 368.522 0.584 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000366788363 489199832 /nfs/dbraw/zinc/19/98/32/489199832.db2.gz OECNIBPKHPOTLC-CQSZACIVSA-N 2 0 350.467 0.992 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCCCC1 ZINC000331385842 489204950 /nfs/dbraw/zinc/20/49/50/489204950.db2.gz HWZXLFKKHBQWJE-HRCADAONSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367373449 489206348 /nfs/dbraw/zinc/20/63/48/489206348.db2.gz YNRVNSDJSINMAF-HUUCEWRRSA-N 2 0 356.478 0.707 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000367571537 489207641 /nfs/dbraw/zinc/20/76/41/489207641.db2.gz BFNUGTVLZNDUBO-FUHWJXTLSA-N 2 0 352.523 0.770 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000331458743 489214466 /nfs/dbraw/zinc/21/44/66/489214466.db2.gz PVBBCHSPRSCECH-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000297846563 489250432 /nfs/dbraw/zinc/25/04/32/489250432.db2.gz MSJOTZWCVRQJME-UHFFFAOYSA-N 2 0 361.490 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333896493 489263794 /nfs/dbraw/zinc/26/37/94/489263794.db2.gz ZCLOUEYZSFOARN-BRWVUGGUSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738426 489269489 /nfs/dbraw/zinc/26/94/89/489269489.db2.gz XVWYCBDPMJJMLO-KBAYOESNSA-N 2 0 366.506 0.744 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532033 489271261 /nfs/dbraw/zinc/27/12/61/489271261.db2.gz RGGBWKKGWGXVGG-RDJZCZTQSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501165 491245041 /nfs/dbraw/zinc/24/50/41/491245041.db2.gz LBVKPRFNVDCQEJ-WBVHZDCISA-N 2 0 359.474 0.238 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000369881667 489286749 /nfs/dbraw/zinc/28/67/49/489286749.db2.gz HTGHBFHKRKXHHO-CVEARBPZSA-N 2 0 366.506 0.014 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369984154 489299692 /nfs/dbraw/zinc/29/96/92/489299692.db2.gz HCKICMUAUOMRJE-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000370125694 489317974 /nfs/dbraw/zinc/31/79/74/489317974.db2.gz JTHNIIPMKQXKLT-FGTMMUONSA-N 2 0 367.538 0.565 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000570489841 491244037 /nfs/dbraw/zinc/24/40/37/491244037.db2.gz NPCDHAQGLGPFID-HRCADAONSA-N 2 0 355.479 0.582 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000362077528 489374384 /nfs/dbraw/zinc/37/43/84/489374384.db2.gz JPEFHKDYFCLBAR-AWEZNQCLSA-N 2 0 352.460 0.252 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1c(C)noc1C ZINC000570604869 491252687 /nfs/dbraw/zinc/25/26/87/491252687.db2.gz NZZOIGVDJRNDFS-OAHLLOKOSA-N 2 0 367.494 0.811 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)o1 ZINC000286569249 489405640 /nfs/dbraw/zinc/40/56/40/489405640.db2.gz TVYIYCALJIUOMY-CQSZACIVSA-N 2 0 352.479 0.935 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659839 489414453 /nfs/dbraw/zinc/41/44/53/489414453.db2.gz LYSOAEBNTJIRAK-ZBFHGGJFSA-N 2 0 355.442 0.816 20 0 FCADRP C[N@H+](C[C@@H](O)CNCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254098 /nfs/dbraw/zinc/25/40/98/491254098.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 2 0 374.529 0.929 20 0 FCADRP CCNC(=O)[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299468971 489444654 /nfs/dbraw/zinc/44/46/54/489444654.db2.gz FUAGRBJHDXLNAG-OAHLLOKOSA-N 2 0 362.478 0.418 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697831 491258613 /nfs/dbraw/zinc/25/86/13/491258613.db2.gz BMOIJPFPMLDFSM-ZWKOTPCHSA-N 2 0 371.485 0.736 20 0 FCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N(C)C ZINC000299520136 489450859 /nfs/dbraw/zinc/45/08/59/489450859.db2.gz PXMSPRXCGOCLQE-OAHLLOKOSA-N 2 0 362.478 0.370 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1C ZINC000287150722 489465309 /nfs/dbraw/zinc/46/53/09/489465309.db2.gz YLMHPUCAYVPZQJ-DZGCQCFKSA-N 2 0 362.478 0.045 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423094898 489492548 /nfs/dbraw/zinc/49/25/48/489492548.db2.gz KWYJUQRKLQAYJM-AWEZNQCLSA-N 2 0 350.438 0.523 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423135453 489496293 /nfs/dbraw/zinc/49/62/93/489496293.db2.gz UAZZRMIHLZODSN-QGZVFWFLSA-N 2 0 369.554 0.303 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000423158155 489498205 /nfs/dbraw/zinc/49/82/05/489498205.db2.gz CDFTWWHDEOLHIE-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)o1 ZINC000423168728 489499016 /nfs/dbraw/zinc/49/90/16/489499016.db2.gz IANXIVSYDCZVCU-UHFFFAOYSA-N 2 0 350.463 0.689 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423195532 489501280 /nfs/dbraw/zinc/50/12/80/489501280.db2.gz SVACHQHWKGWQKK-INIZCTEOSA-N 2 0 354.495 0.143 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000423193062 489501465 /nfs/dbraw/zinc/50/14/65/489501465.db2.gz WJYPAPBGNCBAJX-DOTOQJQBSA-N 2 0 368.522 0.530 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423204501 489502538 /nfs/dbraw/zinc/50/25/38/489502538.db2.gz UKRURWDGXYNEPR-SFHVURJKSA-N 2 0 360.502 0.959 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000423218110 489503813 /nfs/dbraw/zinc/50/38/13/489503813.db2.gz UWOJZYJMKBWTTR-ZBFHGGJFSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423232022 489506059 /nfs/dbraw/zinc/50/60/59/489506059.db2.gz BSWAMAQSDODFKG-UKPHBRMFSA-N 2 0 362.449 0.631 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000570712940 491259927 /nfs/dbraw/zinc/25/99/27/491259927.db2.gz BGHOBGCRNVXRBO-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH2+]C)c(C)c2)CC1 ZINC000415547786 489528462 /nfs/dbraw/zinc/52/84/62/489528462.db2.gz PUQLQAVNVOFEQJ-UHFFFAOYSA-N 2 0 361.490 0.753 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415552040 489529235 /nfs/dbraw/zinc/52/92/35/489529235.db2.gz YXEPSHLAVLYOLI-UHFFFAOYSA-N 2 0 362.474 0.963 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC000415560549 489530586 /nfs/dbraw/zinc/53/05/86/489530586.db2.gz MFNWYPSFTWQDHE-UHFFFAOYSA-N 2 0 359.474 0.765 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)c2)CC1 ZINC000415570403 489531049 /nfs/dbraw/zinc/53/10/49/489531049.db2.gz LYAKKEWKYGKEJG-HOTGVXAUSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415577739 489532707 /nfs/dbraw/zinc/53/27/07/489532707.db2.gz ZCXSHJJNXZFQSM-JKSUJKDBSA-N 2 0 373.501 0.581 20 0 FCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[NH2+]1 ZINC000415703413 489542917 /nfs/dbraw/zinc/54/29/17/489542917.db2.gz FWCYSMSSOBQGDK-IBGZPJMESA-N 2 0 362.474 0.614 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1C[NH+](C)C ZINC000415703371 489542957 /nfs/dbraw/zinc/54/29/57/489542957.db2.gz DWLQHQSEOHQBKL-SFHVURJKSA-N 2 0 373.501 0.501 20 0 FCADRP CN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC([NH3+])C1 ZINC000415795387 489553710 /nfs/dbraw/zinc/55/37/10/489553710.db2.gz YCTQMECWYUZYFQ-UHFFFAOYSA-N 2 0 359.474 0.321 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1OCC[NH+](C)C ZINC000415818854 489555078 /nfs/dbraw/zinc/55/50/78/489555078.db2.gz WGPQVBKQHYYTMJ-ZBFHGGJFSA-N 2 0 360.458 0.694 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CC1 ZINC000415821961 489555091 /nfs/dbraw/zinc/55/50/91/489555091.db2.gz JMPFJSVDGCIABI-UHFFFAOYSA-N 2 0 373.501 0.583 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415829194 489556386 /nfs/dbraw/zinc/55/63/86/489556386.db2.gz GRMHKDQODHGLMT-GOSISDBHSA-N 2 0 374.485 0.758 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000415870894 489562126 /nfs/dbraw/zinc/56/21/26/489562126.db2.gz PQEBMJQKJMIJRX-CABCVRRESA-N 2 0 360.458 0.633 20 0 FCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000415873033 489562267 /nfs/dbraw/zinc/56/22/67/489562267.db2.gz XRQXKNRANDGUHW-GOSISDBHSA-N 2 0 374.485 0.962 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002566 489567361 /nfs/dbraw/zinc/56/73/61/489567361.db2.gz FDIUMDYLFMIYON-CYBMUJFWSA-N 2 0 353.433 0.934 20 0 FCADRP [NH3+]CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000415992795 489567431 /nfs/dbraw/zinc/56/74/31/489567431.db2.gz BUXVFHIDKQOBEP-GFCCVEGCSA-N 2 0 365.400 0.216 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660928 491263532 /nfs/dbraw/zinc/26/35/32/491263532.db2.gz NDXZCHZYOIHOJN-ZBFHGGJFSA-N 2 0 350.507 0.966 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426572308 489575840 /nfs/dbraw/zinc/57/58/40/489575840.db2.gz BCVFIFXNOZZMFO-SJORKVTESA-N 2 0 356.511 0.584 20 0 FCADRP C[NH+](C)CCCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000426649187 489577746 /nfs/dbraw/zinc/57/77/46/489577746.db2.gz WJCNKAQGVQEUQB-QGZVFWFLSA-N 2 0 371.547 0.828 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2nccn2C)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000570786187 491264341 /nfs/dbraw/zinc/26/43/41/491264341.db2.gz SEVBCVUVTIWJOP-IIAWOOMASA-N 2 0 355.442 0.835 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730874 491268085 /nfs/dbraw/zinc/26/80/85/491268085.db2.gz MDXDYWKBBTUFPX-RDJZCZTQSA-N 2 0 366.506 0.226 20 0 FCADRP C[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000563712542 491264797 /nfs/dbraw/zinc/26/47/97/491264797.db2.gz HMJSBBXTTMXUFW-AWEZNQCLSA-N 2 0 368.503 0.409 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000555674375 491265152 /nfs/dbraw/zinc/26/51/52/491265152.db2.gz BOYGUVRZPRYIQB-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000555681306 491265541 /nfs/dbraw/zinc/26/55/41/491265541.db2.gz HIGZLNRGVBLFGX-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000555729989 491268123 /nfs/dbraw/zinc/26/81/23/491268123.db2.gz BGBLJAYEWOKOJG-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427778583 489620101 /nfs/dbraw/zinc/62/01/01/489620101.db2.gz JRXJTHXOCDTNGE-ZCVDQKGDSA-N 2 0 362.518 0.299 20 0 FCADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000416799116 489630020 /nfs/dbraw/zinc/63/00/20/489630020.db2.gz PDRXKEBDBSFHBQ-CVEARBPZSA-N 2 0 353.511 0.618 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000416834081 489631218 /nfs/dbraw/zinc/63/12/18/489631218.db2.gz WGTBOCMYLAIJIZ-OAHLLOKOSA-N 2 0 353.511 0.890 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[NH+]1CCOCC1 ZINC000416961497 489636707 /nfs/dbraw/zinc/63/67/07/489636707.db2.gz SHXCDQRTGXCZPC-IAGOWNOFSA-N 2 0 355.527 0.326 20 0 FCADRP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417002283 489638204 /nfs/dbraw/zinc/63/82/04/489638204.db2.gz GAZIEFJZLLWHAU-LXZKKBNFSA-N 2 0 353.511 0.663 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417140742 489643471 /nfs/dbraw/zinc/64/34/71/489643471.db2.gz QMKIJEYKWBLZQU-HRCADAONSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417252258 489645452 /nfs/dbraw/zinc/64/54/52/489645452.db2.gz JIAOIXBCAVKLIR-TWMKSMIVSA-N 2 0 367.538 0.849 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242117 489645668 /nfs/dbraw/zinc/64/56/68/489645668.db2.gz SYCXIXJSOMIJHP-HZPDHXFCSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417340570 489648952 /nfs/dbraw/zinc/64/89/52/489648952.db2.gz AOAROVCKRLLULU-UHFFFAOYSA-N 2 0 363.506 0.722 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417363652 489649478 /nfs/dbraw/zinc/64/94/78/489649478.db2.gz GIRLMUTVEBCSSN-DLBZAZTESA-N 3 0 360.506 0.986 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570839991 491268830 /nfs/dbraw/zinc/26/88/30/491268830.db2.gz RMPDYDXUNRSDSY-BMGDILEWSA-N 2 0 358.486 0.998 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417389952 489651176 /nfs/dbraw/zinc/65/11/76/489651176.db2.gz QBFGTTDQMMUGOT-HXUWFJFHSA-N 3 0 372.517 0.989 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000457610546 489651344 /nfs/dbraw/zinc/65/13/44/489651344.db2.gz UTBOPSOEODDCNK-IRXDYDNUSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000417449765 489654874 /nfs/dbraw/zinc/65/48/74/489654874.db2.gz ANIAPBZDYMADRK-GJZGRUSLSA-N 2 0 361.490 0.870 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000555732378 491269235 /nfs/dbraw/zinc/26/92/35/491269235.db2.gz IKCILRQQMINNQP-HOTGVXAUSA-N 2 0 354.495 0.012 20 0 FCADRP [NH3+]C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000417519857 489656739 /nfs/dbraw/zinc/65/67/39/489656739.db2.gz WBEHEFGSZCOCQE-MRXNPFEDSA-N 2 0 361.494 0.415 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417526583 489657166 /nfs/dbraw/zinc/65/71/66/489657166.db2.gz MSQYWIUHAYLHJV-QGZVFWFLSA-N 2 0 363.506 0.372 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000417544383 489657598 /nfs/dbraw/zinc/65/75/98/489657598.db2.gz HMINVMVVRBUTGK-MSOLQXFVSA-N 2 0 373.501 0.935 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H]([NH3+])C3CC3)c2)C1 ZINC000417543291 489657633 /nfs/dbraw/zinc/65/76/33/489657633.db2.gz FTENGLVHIQRRDD-MSOLQXFVSA-N 2 0 373.501 0.920 20 0 FCADRP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000417550841 489658474 /nfs/dbraw/zinc/65/84/74/489658474.db2.gz MMTMRQTVZVDOJJ-YPMHNXCESA-N 2 0 351.417 0.604 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417614902 489659721 /nfs/dbraw/zinc/65/97/21/489659721.db2.gz WIUUXLKWGHVBHM-MRXNPFEDSA-N 2 0 353.511 0.572 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417745751 489664206 /nfs/dbraw/zinc/66/42/06/489664206.db2.gz FJJFGGVOYWFXAO-BPQIPLTHSA-N 2 0 351.539 0.947 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000458372304 489679976 /nfs/dbraw/zinc/67/99/76/489679976.db2.gz QQRNVPBOFQBUKZ-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426989 489682459 /nfs/dbraw/zinc/68/24/59/489682459.db2.gz NQXHOUWODYWLCF-HOTGVXAUSA-N 2 0 353.511 0.698 20 0 FCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205919 489684823 /nfs/dbraw/zinc/68/48/23/489684823.db2.gz ZVGYIWLORUJOGF-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000418222500 489685701 /nfs/dbraw/zinc/68/57/01/489685701.db2.gz VYGTWYXOUIJTEF-MRXNPFEDSA-N 2 0 353.511 0.749 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCCCCC1 ZINC000418285390 489687854 /nfs/dbraw/zinc/68/78/54/489687854.db2.gz PCDWDFIXJFVAHY-WBVHZDCISA-N 2 0 365.522 0.984 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418398348 489695659 /nfs/dbraw/zinc/69/56/59/489695659.db2.gz CRLPWJDHHAYKMT-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418407680 489696593 /nfs/dbraw/zinc/69/65/93/489696593.db2.gz TXOVNUSXWLYPHT-KRWDZBQOSA-N 2 0 367.538 0.993 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000458737483 489699413 /nfs/dbraw/zinc/69/94/13/489699413.db2.gz VYLSJDJNBPYGAH-INIZCTEOSA-N 2 0 355.527 0.158 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469364507 489703972 /nfs/dbraw/zinc/70/39/72/489703972.db2.gz RSNRZQLVNIIIEF-HNNXBMFYSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)c(NC[C@](C)(O)C[NH+](C)C)nc1C ZINC000489397948 489709109 /nfs/dbraw/zinc/70/91/09/489709109.db2.gz FYGSEVWSMHTWRM-HDICACEKSA-N 2 0 368.526 0.542 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418605572 489709724 /nfs/dbraw/zinc/70/97/24/489709724.db2.gz APXQZAOSIFSGIB-OAHLLOKOSA-N 2 0 373.423 0.993 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000418613888 489710561 /nfs/dbraw/zinc/71/05/61/489710561.db2.gz GBRUAJGNPULYAT-INIZCTEOSA-N 2 0 351.495 0.454 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418628766 489712896 /nfs/dbraw/zinc/71/28/96/489712896.db2.gz CRMRAQVLDLZQOD-IRXDYDNUSA-N 2 0 359.474 0.512 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000489542011 489716709 /nfs/dbraw/zinc/71/67/09/489716709.db2.gz AAOIXSUPZYBTFM-ROUUACIJSA-N 2 0 369.554 0.549 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418757013 489722785 /nfs/dbraw/zinc/72/27/85/489722785.db2.gz HDJLESGMAWEGPW-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1[NH3+] ZINC000418803586 489731441 /nfs/dbraw/zinc/73/14/41/489731441.db2.gz LRBKEOHBONABCU-HZPDHXFCSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807657 489733035 /nfs/dbraw/zinc/73/30/35/489733035.db2.gz PYSLVUDUQZXGBR-HNNXBMFYSA-N 2 0 354.495 0.096 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810272 489733544 /nfs/dbraw/zinc/73/35/44/489733544.db2.gz HAFVNNLPNCBFEA-JXFKEZNVSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418812546 489734485 /nfs/dbraw/zinc/73/44/85/489734485.db2.gz XCRBBECZIJMITM-UHFFFAOYSA-N 2 0 366.506 0.207 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418819176 489737371 /nfs/dbraw/zinc/73/73/71/489737371.db2.gz ODIZFWDGWPEVMS-JXFKEZNVSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000418826306 489741738 /nfs/dbraw/zinc/74/17/38/489741738.db2.gz CJZQPAYAKCBNJQ-ZWKOTPCHSA-N 2 0 358.486 0.929 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829954 489743065 /nfs/dbraw/zinc/74/30/65/489743065.db2.gz FHOJWAOTRTXBAH-YLJYHZDGSA-N 2 0 360.502 0.781 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000418836425 489747618 /nfs/dbraw/zinc/74/76/18/489747618.db2.gz PSCGJJBYXDBZJX-UHFFFAOYSA-N 2 0 368.522 0.724 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000418837995 489747694 /nfs/dbraw/zinc/74/76/94/489747694.db2.gz UQMCGWCACNVKCE-KBPBESRZSA-N 2 0 352.504 0.925 20 0 FCADRP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000430584272 489748495 /nfs/dbraw/zinc/74/84/95/489748495.db2.gz ORXIMYBCBYHQRK-SFHVURJKSA-N 3 0 354.539 0.781 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000418839656 489750096 /nfs/dbraw/zinc/75/00/96/489750096.db2.gz DHLBAGBRWRUURE-AKHDSKFASA-N 2 0 370.497 0.963 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000418839641 489750417 /nfs/dbraw/zinc/75/04/17/489750417.db2.gz DGXFGKGZAZNECT-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cccs1 ZINC000418841945 489751285 /nfs/dbraw/zinc/75/12/85/489751285.db2.gz ZIXGFQWERCLBFZ-AWEZNQCLSA-N 2 0 350.488 0.893 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430609991 489752407 /nfs/dbraw/zinc/75/24/07/489752407.db2.gz JGNDXZMZRNZCTL-FUHWJXTLSA-N 2 0 358.486 0.967 20 0 FCADRP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430611076 489753183 /nfs/dbraw/zinc/75/31/83/489753183.db2.gz MYLPOUKDSXMXHH-SFHVURJKSA-N 2 0 358.486 0.755 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418847280 489754012 /nfs/dbraw/zinc/75/40/12/489754012.db2.gz HTFIEEOXPMWXAO-IRXDYDNUSA-N 2 0 362.474 0.372 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474317731 489754372 /nfs/dbraw/zinc/75/43/72/489754372.db2.gz XZOHPSPRUSIQBW-RCBQFDQVSA-N 2 0 366.412 0.395 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000418850470 489756307 /nfs/dbraw/zinc/75/63/07/489756307.db2.gz NYGKOZNTYJLOBA-NVXWUHKLSA-N 2 0 374.485 0.898 20 0 FCADRP [NH3+]C[C@H]1CCCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000430623924 489756797 /nfs/dbraw/zinc/75/67/97/489756797.db2.gz HKELVVSHDYADQQ-QGZVFWFLSA-N 2 0 352.523 0.951 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCCC1 ZINC000418852570 489757412 /nfs/dbraw/zinc/75/74/12/489757412.db2.gz RCZTYHUKUHWTII-HOCLYGCPSA-N 2 0 362.474 0.802 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000418852886 489757788 /nfs/dbraw/zinc/75/77/88/489757788.db2.gz RPAVESAJZHCBJW-MAUKXSAKSA-N 2 0 360.502 0.861 20 0 FCADRP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430629548 489757909 /nfs/dbraw/zinc/75/79/09/489757909.db2.gz OOPHOKNBKQZHAE-GJZGRUSLSA-N 2 0 365.478 1.267 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000418854403 489758536 /nfs/dbraw/zinc/75/85/36/489758536.db2.gz TVEZSDYXSSOGKR-IAGOWNOFSA-N 2 0 374.485 0.802 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000418854405 489758582 /nfs/dbraw/zinc/75/85/82/489758582.db2.gz TVEZSDYXSSOGKR-IRXDYDNUSA-N 2 0 374.485 0.802 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000430631955 489759539 /nfs/dbraw/zinc/75/95/39/489759539.db2.gz WGQXEBGMNYNOOA-OAHLLOKOSA-N 2 0 366.893 0.786 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[NH+](C)C)c1 ZINC000418858046 489761340 /nfs/dbraw/zinc/76/13/40/489761340.db2.gz IJGVLTPOUNACRU-QFBILLFUSA-N 2 0 362.474 0.611 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418859766 489761354 /nfs/dbraw/zinc/76/13/54/489761354.db2.gz KTPNLTGVRGVCSW-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430643587 489761502 /nfs/dbraw/zinc/76/15/02/489761502.db2.gz XIFFEBYDPGGVHU-FAKMSMKASA-N 2 0 362.518 0.858 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418861144 489762577 /nfs/dbraw/zinc/76/25/77/489762577.db2.gz MQTJVJYTGRMFEH-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418860671 489762677 /nfs/dbraw/zinc/76/26/77/489762677.db2.gz MALUNBIVTNGMCT-FXAWDEMLSA-N 2 0 356.470 0.589 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000418862775 489763613 /nfs/dbraw/zinc/76/36/13/489763613.db2.gz ONMXOQYDXCLACZ-SFHVURJKSA-N 2 0 356.470 0.976 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863666 489763701 /nfs/dbraw/zinc/76/37/01/489763701.db2.gz BSKTVWOOLJJVFL-CVEARBPZSA-N 2 0 368.522 0.498 20 0 FCADRP [NH3+]C[C@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430653303 489763886 /nfs/dbraw/zinc/76/38/86/489763886.db2.gz YRLRZPYMQQMJLU-QGZVFWFLSA-N 2 0 352.523 0.808 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430654684 489763912 /nfs/dbraw/zinc/76/39/12/489763912.db2.gz QQDANQGTZVVCJD-CQSZACIVSA-N 2 0 366.437 0.108 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418864963 489764637 /nfs/dbraw/zinc/76/46/37/489764637.db2.gz RGHNLYPNWUIDDF-KGLIPLIRSA-N 2 0 350.488 0.869 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418866351 489764971 /nfs/dbraw/zinc/76/49/71/489764971.db2.gz SPRBYJDILFQBMO-ILXRZTDVSA-N 2 0 362.499 0.822 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418866578 489765479 /nfs/dbraw/zinc/76/54/79/489765479.db2.gz OBBJMPAOLSADHS-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430710933 489765794 /nfs/dbraw/zinc/76/57/94/489765794.db2.gz VBEOYPNWPAYSEL-QGZVFWFLSA-N 2 0 360.458 0.829 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418868767 489767210 /nfs/dbraw/zinc/76/72/10/489767210.db2.gz WMQURHBMEFDAKW-QRTARXTBSA-N 2 0 362.474 0.658 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](C)C)c1 ZINC000418870640 489767969 /nfs/dbraw/zinc/76/79/69/489767969.db2.gz YOKIZORUNVUQQH-XLIONFOSSA-N 2 0 374.485 0.626 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)[NH+](C)C)c1 ZINC000418870255 489768239 /nfs/dbraw/zinc/76/82/39/489768239.db2.gz YDVJDRZMAZSGHX-JQFCIGGWSA-N 2 0 362.474 0.610 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418880257 489772379 /nfs/dbraw/zinc/77/23/79/489772379.db2.gz PCACPMVKMYCAHS-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418881034 489773175 /nfs/dbraw/zinc/77/31/75/489773175.db2.gz WORKPXJSYHHRJQ-ZWKOTPCHSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418880699 489773601 /nfs/dbraw/zinc/77/36/01/489773601.db2.gz PWEQZPIJIITVEM-FXUDXRNXSA-N 2 0 350.507 0.951 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883335 489774201 /nfs/dbraw/zinc/77/42/01/489774201.db2.gz UYIRKJBZGRQLKP-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP CNC(=O)NC(=O)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430911971 489776591 /nfs/dbraw/zinc/77/65/91/489776591.db2.gz JUIPSEOVXZEHGB-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430917974 489777029 /nfs/dbraw/zinc/77/70/29/489777029.db2.gz FSNOUEZJLMRIBW-GFCCVEGCSA-N 2 0 354.476 0.722 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H](C)[NH2+]1 ZINC000430921216 489777382 /nfs/dbraw/zinc/77/73/82/489777382.db2.gz RXMDEUMTZHAKGH-IAGOWNOFSA-N 2 0 352.523 0.820 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929713 489778737 /nfs/dbraw/zinc/77/87/37/489778737.db2.gz YKPMHEFULKLCLT-HNNXBMFYSA-N 2 0 366.510 0.943 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000430941203 489779808 /nfs/dbraw/zinc/77/98/08/489779808.db2.gz UXKNWZFXGLLFNF-IAGOWNOFSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430954145 489782287 /nfs/dbraw/zinc/78/22/87/489782287.db2.gz IRZHINALVDAZIK-CYBMUJFWSA-N 2 0 368.503 0.052 20 0 FCADRP COCC[NH2+]CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000430999440 489784425 /nfs/dbraw/zinc/78/44/25/489784425.db2.gz KOKWUUUEVMXLAX-UHFFFAOYSA-N 2 0 364.490 0.512 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555869623 491278439 /nfs/dbraw/zinc/27/84/39/491278439.db2.gz RFWDUIDDJSIYDQ-UHFFFAOYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418912246 489787257 /nfs/dbraw/zinc/78/72/57/489787257.db2.gz DSLCWFZGZCTWHL-IIDMSEBBSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)C2)CC1 ZINC000555877667 491278865 /nfs/dbraw/zinc/27/88/65/491278865.db2.gz UTLRQGRSSQRCIX-MRXNPFEDSA-N 2 0 363.510 0.688 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000459916761 489791003 /nfs/dbraw/zinc/79/10/03/489791003.db2.gz INMCPATVOBNOMV-IBGZPJMESA-N 2 0 366.506 0.111 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000418917840 489791244 /nfs/dbraw/zinc/79/12/44/489791244.db2.gz IJPJXHOJWHNEAV-CVEARBPZSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)c3cn(CCC[NH3+])nn3)ccc2oc1=O ZINC000563955019 491279177 /nfs/dbraw/zinc/27/91/77/491279177.db2.gz QVDZTEJVZWQAGU-UHFFFAOYSA-N 2 0 373.417 0.349 20 0 FCADRP CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000570999785 491279270 /nfs/dbraw/zinc/27/92/70/491279270.db2.gz YLFDSDPDBFKBSM-IAGOWNOFSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000431280881 489798783 /nfs/dbraw/zinc/79/87/83/489798783.db2.gz CQMGUTGRJTYOIE-JKSUJKDBSA-N 2 0 365.522 0.903 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418950411 489801617 /nfs/dbraw/zinc/80/16/17/489801617.db2.gz HCYONHLFYSYPAM-BRWVUGGUSA-N 2 0 368.522 0.360 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418955403 489803532 /nfs/dbraw/zinc/80/35/32/489803532.db2.gz XXSKUCPKNAIPFZ-UAGQMJEPSA-N 2 0 368.522 0.578 20 0 FCADRP COC(=O)C[C@]1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000475131206 489807295 /nfs/dbraw/zinc/80/72/95/489807295.db2.gz YRYOBUZGULXRFH-VQIMIIECSA-N 2 0 363.458 0.717 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000459985444 489809685 /nfs/dbraw/zinc/80/96/85/489809685.db2.gz DMIWFMARXGTCKO-CVEARBPZSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)CCS(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431585137 489811555 /nfs/dbraw/zinc/81/15/55/489811555.db2.gz YMMZHEKFRRQWNH-UHFFFAOYSA-N 2 0 362.540 0.240 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000459997767 489813283 /nfs/dbraw/zinc/81/32/83/489813283.db2.gz UDZYACVWAPLRAF-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418999998 489813290 /nfs/dbraw/zinc/81/32/90/489813290.db2.gz JURKXXVJIUAYRR-MOPGFXCFSA-N 2 0 370.497 0.967 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000459997768 489813409 /nfs/dbraw/zinc/81/34/09/489813409.db2.gz UDZYACVWAPLRAF-QZTJIDSGSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000419001299 489814398 /nfs/dbraw/zinc/81/43/98/489814398.db2.gz SKXXCKFYZYVWSG-UHFFFAOYSA-N 2 0 358.486 0.967 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000419008859 489816179 /nfs/dbraw/zinc/81/61/79/489816179.db2.gz WCNSVBQPRSHTFH-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419021349 489820300 /nfs/dbraw/zinc/82/03/00/489820300.db2.gz GXXSTLIRLUWJHH-QXSJWSMHSA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419023946 489822835 /nfs/dbraw/zinc/82/28/35/489822835.db2.gz KMIDDWJGBBIBSF-ONTMVUMWSA-N 2 0 364.534 0.973 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419029141 489824165 /nfs/dbraw/zinc/82/41/65/489824165.db2.gz FPVDXEADVHLBET-AWEZNQCLSA-N 2 0 354.520 0.414 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419029327 489824850 /nfs/dbraw/zinc/82/48/50/489824850.db2.gz RRKNDBOYAZXFSC-VQHPVUNQSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419033870 489826212 /nfs/dbraw/zinc/82/62/12/489826212.db2.gz LXBINQQBBLBNSL-CQSZACIVSA-N 2 0 356.536 0.565 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419033147 489826702 /nfs/dbraw/zinc/82/67/02/489826702.db2.gz XVKFWNPKRQMXCQ-OWCLPIDISA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000563976883 491281470 /nfs/dbraw/zinc/28/14/70/491281470.db2.gz PXRHWNAMEVABTM-SVGFKBNWSA-N 2 0 359.474 0.631 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419036235 489828684 /nfs/dbraw/zinc/82/86/84/489828684.db2.gz BFQIMOUDVRGSEU-CABCVRRESA-N 2 0 354.495 0.201 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041378 489829589 /nfs/dbraw/zinc/82/95/89/489829589.db2.gz BTJIOPCDRNVLEB-DOTOQJQBSA-N 2 0 364.490 0.005 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419040002 489830547 /nfs/dbraw/zinc/83/05/47/489830547.db2.gz WGMHAAHIIWDIKV-OAHLLOKOSA-N 2 0 370.563 0.969 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419043371 489831591 /nfs/dbraw/zinc/83/15/91/489831591.db2.gz JIDXRSAFHDHRAG-NVXWUHKLSA-N 2 0 362.474 0.290 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419044397 489831921 /nfs/dbraw/zinc/83/19/21/489831921.db2.gz PUDXAMMEHAQQEN-RDJZCZTQSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050699 489835361 /nfs/dbraw/zinc/83/53/61/489835361.db2.gz YUYCRGTWOQHONG-DDBAPUKQSA-N 2 0 356.470 0.758 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460080638 489845937 /nfs/dbraw/zinc/84/59/37/489845937.db2.gz VZTPRTAIDSGOFR-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460080637 489846079 /nfs/dbraw/zinc/84/60/79/489846079.db2.gz VZTPRTAIDSGOFR-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000460081769 489846874 /nfs/dbraw/zinc/84/68/74/489846874.db2.gz YOGXQYFZIFQOTN-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000377092411 489851285 /nfs/dbraw/zinc/85/12/85/489851285.db2.gz GZDFJKQOXMFKJM-UHFFFAOYSA-N 2 0 362.478 0.689 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000460268444 489860224 /nfs/dbraw/zinc/86/02/24/489860224.db2.gz HQWFGOQDEIRPEX-LJQANCHMSA-N 2 0 364.490 0.535 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146062 489868461 /nfs/dbraw/zinc/86/84/61/489868461.db2.gz KBSPFDWKQQLMQX-DZGCQCFKSA-N 2 0 360.524 0.024 20 0 FCADRP Cc1cc(C)n(C[C@@H]2CN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CCO2)n1 ZINC000433143082 489868905 /nfs/dbraw/zinc/86/89/05/489868905.db2.gz GSGMRFGRKOTEEU-SFHVURJKSA-N 2 0 363.506 0.931 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000433149890 489868957 /nfs/dbraw/zinc/86/89/57/489868957.db2.gz UYFUINYFMDNXJD-UHFFFAOYSA-N 2 0 361.490 0.738 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419986994 489874080 /nfs/dbraw/zinc/87/40/80/489874080.db2.gz WXYGTBYMHZDYGT-FGTMMUONSA-N 2 0 358.486 0.676 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419995804 489876560 /nfs/dbraw/zinc/87/65/60/489876560.db2.gz IRZFSHQSHQYTIK-RBSFLKMASA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419998511 489876920 /nfs/dbraw/zinc/87/69/20/489876920.db2.gz QRUKJSDOCHMNJU-LBPRGKRZSA-N 2 0 356.417 0.709 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420021826 489883118 /nfs/dbraw/zinc/88/31/18/489883118.db2.gz IRZFSHQSHQYTIK-RRFJBIMHSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420024736 489884130 /nfs/dbraw/zinc/88/41/30/489884130.db2.gz BKAUGFKKEYIYHT-KKUMJFAQSA-N 2 0 352.479 0.302 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420027648 489884910 /nfs/dbraw/zinc/88/49/10/489884910.db2.gz DAXKXFSEABFWPP-LSDHHAIUSA-N 2 0 356.511 0.796 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC000433451427 489885263 /nfs/dbraw/zinc/88/52/63/489885263.db2.gz BVZZMEZZQHJCPL-MSOLQXFVSA-N 2 0 368.522 0.851 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC000433451430 489885347 /nfs/dbraw/zinc/88/53/47/489885347.db2.gz BVZZMEZZQHJCPL-QZTJIDSGSA-N 2 0 368.522 0.851 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000433458759 489886270 /nfs/dbraw/zinc/88/62/70/489886270.db2.gz UXJMUPXBTGZDNW-IRXDYDNUSA-N 2 0 370.538 0.974 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040945 489890877 /nfs/dbraw/zinc/89/08/77/489890877.db2.gz PLYYMMLGWMWBDL-UKRRQHHQSA-N 2 0 352.479 0.302 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420043690 489892019 /nfs/dbraw/zinc/89/20/19/489892019.db2.gz SENPOEYYOXIPJP-INIZCTEOSA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000420050432 489893789 /nfs/dbraw/zinc/89/37/89/489893789.db2.gz HEKKSMYWOXKHRX-WBVHZDCISA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058176 489896691 /nfs/dbraw/zinc/89/66/91/489896691.db2.gz OATVLXQFAYELSX-PBHICJAKSA-N 2 0 366.506 0.332 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000420067374 489901460 /nfs/dbraw/zinc/90/14/60/489901460.db2.gz SKDUVTYDIYGNAN-KRWDZBQOSA-N 2 0 366.506 0.191 20 0 FCADRP CCN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420067705 489901570 /nfs/dbraw/zinc/90/15/70/489901570.db2.gz SUNITWAHYTWIPI-ZWKOTPCHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494678423 489904083 /nfs/dbraw/zinc/90/40/83/489904083.db2.gz DPDWXBXSTSYZQW-INIZCTEOSA-N 2 0 363.510 0.628 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420077427 489904683 /nfs/dbraw/zinc/90/46/83/489904683.db2.gz CISPUJVZAAMXLG-OAHLLOKOSA-N 2 0 354.495 0.191 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420110104 489915897 /nfs/dbraw/zinc/91/58/97/489915897.db2.gz VSVNEAINKVACHH-GOSISDBHSA-N 2 0 350.463 0.676 20 0 FCADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420109208 489915979 /nfs/dbraw/zinc/91/59/79/489915979.db2.gz ANDKGSWXDFCCKR-RBSFLKMASA-N 2 0 354.495 0.058 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420134703 489924670 /nfs/dbraw/zinc/92/46/70/489924670.db2.gz FRMYQSNAKWRUFH-UHFFFAOYSA-N 2 0 362.449 0.752 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000420133638 489924879 /nfs/dbraw/zinc/92/48/79/489924879.db2.gz ZESMVUPNYGFNDI-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134702 489924976 /nfs/dbraw/zinc/92/49/76/489924976.db2.gz UXXJJHCBTYJMDN-KGLIPLIRSA-N 2 0 352.504 0.895 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134700 489925083 /nfs/dbraw/zinc/92/50/83/489925083.db2.gz UXXJJHCBTYJMDN-KBPBESRZSA-N 2 0 352.504 0.895 20 0 FCADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420145323 489929081 /nfs/dbraw/zinc/92/90/81/489929081.db2.gz OPNNOHFHRVQWJT-HRCADAONSA-N 2 0 368.522 0.448 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571162828 491289220 /nfs/dbraw/zinc/28/92/20/491289220.db2.gz NXMOFYILYCFTTD-QGZVFWFLSA-N 2 0 361.490 0.887 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571162827 491289313 /nfs/dbraw/zinc/28/93/13/491289313.db2.gz NXMOFYILYCFTTD-KRWDZBQOSA-N 2 0 361.490 0.887 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171086 489938864 /nfs/dbraw/zinc/93/88/64/489938864.db2.gz SRQNCPXIIJNIPU-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186419 489945351 /nfs/dbraw/zinc/94/53/51/489945351.db2.gz CLGXPVAPIOZYBA-YRXWBPOGSA-N 2 0 370.497 0.820 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000420189718 489946723 /nfs/dbraw/zinc/94/67/23/489946723.db2.gz GNCZHSSJLMFNBZ-GMRIPVOYSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000420210433 489953994 /nfs/dbraw/zinc/95/39/94/489953994.db2.gz HBAGCSGRCXHPFA-JKSUJKDBSA-N 2 0 366.437 0.039 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420213205 489954703 /nfs/dbraw/zinc/95/47/03/489954703.db2.gz YDDXDDSWSHYTMI-MRXNPFEDSA-N 2 0 358.486 0.965 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798580 489959540 /nfs/dbraw/zinc/95/95/40/489959540.db2.gz KEBYXIOAWOOVSD-CVEARBPZSA-N 2 0 362.522 0.795 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307336 489961823 /nfs/dbraw/zinc/96/18/23/489961823.db2.gz LVLAHSJHBABBNK-VXGBXAGGSA-N 2 0 363.414 0.867 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307333 489961843 /nfs/dbraw/zinc/96/18/43/489961843.db2.gz LVLAHSJHBABBNK-NWDGAFQWSA-N 2 0 363.414 0.867 20 0 FCADRP CCCn1c(N)c(C(=O)CN2CCC([C@H]3CC[NH2+]C3)CC2)c(=O)[nH]c1=O ZINC000420318508 489962419 /nfs/dbraw/zinc/96/24/19/489962419.db2.gz PYVTWVKOGVUUNI-ZDUSSCGKSA-N 2 0 363.462 0.445 20 0 FCADRP NS(=O)(=O)c1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420326086 489963773 /nfs/dbraw/zinc/96/37/73/489963773.db2.gz XALGACZPQUXYGZ-HNNXBMFYSA-N 2 0 352.504 0.846 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000556066054 491291808 /nfs/dbraw/zinc/29/18/08/491291808.db2.gz UFYXBBPNVLWLLB-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420406302 489972141 /nfs/dbraw/zinc/97/21/41/489972141.db2.gz NMSUCMFCZCPYFY-OLZOCXBDSA-N 2 0 354.476 0.579 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420415560 489973431 /nfs/dbraw/zinc/97/34/31/489973431.db2.gz BCJDYTBNWDCNSU-DOMZBBRYSA-N 2 0 357.524 0.809 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000420447160 489978100 /nfs/dbraw/zinc/97/81/00/489978100.db2.gz CLNXDSCMBOPXCJ-UHFFFAOYSA-N 2 0 358.439 0.399 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000477626597 489978934 /nfs/dbraw/zinc/97/89/34/489978934.db2.gz LTPVDYPEJZEKCU-JKSUJKDBSA-N 2 0 354.495 0.202 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000477628076 489979343 /nfs/dbraw/zinc/97/93/43/489979343.db2.gz SAKVSPVFEAPPSP-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000477625917 489979539 /nfs/dbraw/zinc/97/95/39/489979539.db2.gz JTCLFOCDIWMLLJ-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000420453981 489979649 /nfs/dbraw/zinc/97/96/49/489979649.db2.gz KVQADPLKKSAWLR-UHFFFAOYSA-N 2 0 351.375 0.696 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000420453350 489979819 /nfs/dbraw/zinc/97/98/19/489979819.db2.gz JYNIKZODACZIBJ-MRXNPFEDSA-N 2 0 374.551 0.497 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420473204 489982890 /nfs/dbraw/zinc/98/28/90/489982890.db2.gz DGZZEINAJMKIJN-IUODEOHRSA-N 2 0 357.524 0.667 20 0 FCADRP CC[C@H](C(=O)NCc1cn(C)nc1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000477806244 489991829 /nfs/dbraw/zinc/99/18/29/489991829.db2.gz LHFCJNFPPXYCGW-KGLIPLIRSA-N 2 0 352.483 0.655 20 0 FCADRP CC(=O)N[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000420776483 490022432 /nfs/dbraw/zinc/02/24/32/490022432.db2.gz DYEFLUFLASXTCB-QGZVFWFLSA-N 2 0 374.489 0.514 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897325 490029867 /nfs/dbraw/zinc/02/98/67/490029867.db2.gz CJHNNAAAADHIIE-SJORKVTESA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420906018 490030507 /nfs/dbraw/zinc/03/05/07/490030507.db2.gz RKVUYKVGUWISCY-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP COCCCn1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000438304885 490032909 /nfs/dbraw/zinc/03/29/09/490032909.db2.gz MPHFBZBXVUFOEZ-UHFFFAOYSA-N 2 0 366.510 1.409 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)C1 ZINC000478794114 490037547 /nfs/dbraw/zinc/03/75/47/490037547.db2.gz HGYZPKYFMUDJLO-HZPDHXFCSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000378284458 490039970 /nfs/dbraw/zinc/03/99/70/490039970.db2.gz CDRFCDFPVJMINR-CQSZACIVSA-N 2 0 360.458 0.750 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000478821093 490040226 /nfs/dbraw/zinc/04/02/26/490040226.db2.gz HQAVJJQIIMGXON-IRXDYDNUSA-N 2 0 366.506 0.158 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395845 490058949 /nfs/dbraw/zinc/05/89/49/490058949.db2.gz CDHAAGVIEPABTQ-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H](C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798049 490068541 /nfs/dbraw/zinc/06/85/41/490068541.db2.gz ZVFDRMMWUIKRNT-IRTIRVBGSA-N 2 0 362.518 0.827 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000464955928 490073827 /nfs/dbraw/zinc/07/38/27/490073827.db2.gz ZMJDAJBOANARQZ-CVEARBPZSA-N 2 0 353.511 0.603 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000571282815 491297655 /nfs/dbraw/zinc/29/76/55/491297655.db2.gz YFNOJVNWPQCRGK-KRWDZBQOSA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000479337871 490083489 /nfs/dbraw/zinc/08/34/89/490083489.db2.gz RMSVNFCMSVKEAP-INIZCTEOSA-N 2 0 367.538 0.995 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000495605094 490085129 /nfs/dbraw/zinc/08/51/29/490085129.db2.gz AFCYWFLGHSCTKY-UHFFFAOYSA-N 2 0 358.442 0.998 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545154306 490085597 /nfs/dbraw/zinc/08/55/97/490085597.db2.gz JNTCDUACUDGTCQ-FQEVSTJZSA-N 2 0 360.502 0.772 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000421704360 490099067 /nfs/dbraw/zinc/09/90/67/490099067.db2.gz ONVJOJNPFVUNIT-IYBDPMFKSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000520236976 490120966 /nfs/dbraw/zinc/12/09/66/490120966.db2.gz LAHAGKHQOUOKHE-AWEZNQCLSA-N 2 0 353.511 0.711 20 0 FCADRP [NH3+]CCc1nc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC000571325902 491300800 /nfs/dbraw/zinc/30/08/00/491300800.db2.gz CAZQJDBFZHXAKV-ABAIWWIYSA-N 2 0 351.476 0.021 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000479995167 490147184 /nfs/dbraw/zinc/14/71/84/490147184.db2.gz VKGWVKPJROGALS-MRXNPFEDSA-N 2 0 351.495 0.420 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465958219 490158911 /nfs/dbraw/zinc/15/89/11/490158911.db2.gz SINHICIFWODWLI-HZPDHXFCSA-N 2 0 353.511 0.557 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000520619055 490172348 /nfs/dbraw/zinc/17/23/48/490172348.db2.gz HKYMAMHXGZMTJL-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000507134567 490180349 /nfs/dbraw/zinc/18/03/49/490180349.db2.gz HHIOUXMVYUNVLG-HZPDHXFCSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577752 490196925 /nfs/dbraw/zinc/19/69/25/490196925.db2.gz YXKQFOULKVCNRR-WMZOPIPTSA-N 2 0 367.538 0.158 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCCC1 ZINC000520979656 490209580 /nfs/dbraw/zinc/20/95/80/490209580.db2.gz HCUXAOWRTPXKFL-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000571455310 491309328 /nfs/dbraw/zinc/30/93/28/491309328.db2.gz PUZXURRFKZLDCH-KRWDZBQOSA-N 2 0 366.506 0.145 20 0 FCADRP C[C@@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000497920150 490232170 /nfs/dbraw/zinc/23/21/70/490232170.db2.gz ZQDFOVSAUISCHG-LJQANCHMSA-N 2 0 360.506 0.885 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000571464511 491310222 /nfs/dbraw/zinc/31/02/22/491310222.db2.gz WBVZUBQDRIMSJU-OAHLLOKOSA-N 2 0 364.494 0.620 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355201 491310768 /nfs/dbraw/zinc/31/07/68/491310768.db2.gz POJBVOHARGQIQI-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000556363066 491312074 /nfs/dbraw/zinc/31/20/74/491312074.db2.gz SASKFLRXNADZGZ-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@@H]1C ZINC000498240001 490275724 /nfs/dbraw/zinc/27/57/24/490275724.db2.gz PKVRTIFMLMYJDN-JYJNAYRXSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000521591430 490278391 /nfs/dbraw/zinc/27/83/91/490278391.db2.gz WMCFDJGNHLLYBW-BLNMRFBMSA-N 2 0 351.495 0.462 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521650923 490286612 /nfs/dbraw/zinc/28/66/12/490286612.db2.gz JKULZQWYCBUEQN-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000521663882 490288009 /nfs/dbraw/zinc/28/80/09/490288009.db2.gz NZUFDDOYUKRNEA-OAHLLOKOSA-N 2 0 353.511 0.888 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CC[NH2+]CC1 ZINC000521841092 490301474 /nfs/dbraw/zinc/30/14/74/490301474.db2.gz VVWXFXWHBLDXAZ-UHFFFAOYSA-N 3 0 360.506 0.893 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000571483669 491311210 /nfs/dbraw/zinc/31/12/10/491311210.db2.gz JIMDIZMCDDTIOG-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000498850986 490353775 /nfs/dbraw/zinc/35/37/75/490353775.db2.gz COTMWADPFWJXRM-KRWDZBQOSA-N 2 0 350.507 0.993 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000422488597 490354434 /nfs/dbraw/zinc/35/44/34/490354434.db2.gz KLJPAZMQVBZIRT-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000411035442 490380082 /nfs/dbraw/zinc/38/00/82/490380082.db2.gz ZEQPLZFIXLSTOE-QGZVFWFLSA-N 2 0 369.554 0.269 20 0 FCADRP CO[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000571684337 491322927 /nfs/dbraw/zinc/32/29/27/491322927.db2.gz HREGYJZJUKTXBL-HOCLYGCPSA-N 2 0 354.495 0.155 20 0 FCADRP CC(=O)N[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000522738297 490398348 /nfs/dbraw/zinc/39/83/48/490398348.db2.gz BSAIGMFIFMTLTL-SFHVURJKSA-N 2 0 361.490 0.871 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484276755 490406394 /nfs/dbraw/zinc/40/63/94/490406394.db2.gz ANRCETLZYAOWBB-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP CN1CCO[C@@H](C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000468484205 490408097 /nfs/dbraw/zinc/40/80/97/490408097.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 0 360.502 0.812 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000499340572 490414799 /nfs/dbraw/zinc/41/47/99/490414799.db2.gz HBPZLAUQLGLQDC-CABCVRRESA-N 2 0 354.495 0.155 20 0 FCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422625606 490432740 /nfs/dbraw/zinc/43/27/40/490432740.db2.gz BXFIQYAPNBTENS-MCIONIFRSA-N 2 0 368.503 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000422633592 490436210 /nfs/dbraw/zinc/43/62/10/490436210.db2.gz IODPJAKIBQLIJX-XLAORIBOSA-N 2 0 354.539 0.765 20 0 FCADRP CCC(CC)[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000509636326 490445715 /nfs/dbraw/zinc/44/57/15/490445715.db2.gz TYMXSXZNJLXUSM-RDJZCZTQSA-N 2 0 356.511 0.339 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)CC1=O ZINC000509636959 490445806 /nfs/dbraw/zinc/44/58/06/490445806.db2.gz VALJLQDTSQNJBB-MWDXBVQZSA-N 2 0 350.507 0.870 20 0 FCADRP CS[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCCC1 ZINC000484626384 490448859 /nfs/dbraw/zinc/44/88/59/490448859.db2.gz ITMYNYFYULIZIQ-QXDIGNSFSA-N 2 0 357.564 0.968 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000509718518 490455162 /nfs/dbraw/zinc/45/51/62/490455162.db2.gz YQJUIIFHPRHNGX-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837259 490483693 /nfs/dbraw/zinc/48/36/93/490483693.db2.gz LRUVRSHFTVDYRG-DOTOQJQBSA-N 2 0 354.539 0.970 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)CC[NH2+]CC1 ZINC000422848832 490485070 /nfs/dbraw/zinc/48/50/70/490485070.db2.gz KOZXXQBQJZWGJE-HZPDHXFCSA-N 2 0 369.506 0.781 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000523701178 490487523 /nfs/dbraw/zinc/48/75/23/490487523.db2.gz WPGMYKLOEQPXBQ-KRWDZBQOSA-N 2 0 355.527 0.018 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC[NH2+]CC1 ZINC000422964598 490506635 /nfs/dbraw/zinc/50/66/35/490506635.db2.gz IZFOXXXSIYGZII-ZIAGYGMSSA-N 2 0 361.508 0.321 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)CC[NH2+]CC1 ZINC000422982404 490510076 /nfs/dbraw/zinc/51/00/76/490510076.db2.gz WOZNAUWZTKCVKG-KRWDZBQOSA-N 3 0 354.539 0.925 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1=O ZINC000510394960 490514080 /nfs/dbraw/zinc/51/40/80/490514080.db2.gz HXGGSDGJSHEKNS-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000500456221 490519441 /nfs/dbraw/zinc/51/94/41/490519441.db2.gz KEBXJELCGJCHCJ-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC[NH2+]CC1 ZINC000423018694 490521759 /nfs/dbraw/zinc/52/17/59/490521759.db2.gz RTZAJHSDYIPEJZ-ZNMIVQPWSA-N 2 0 355.479 0.533 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC[NH2+]CC1 ZINC000423018693 490521789 /nfs/dbraw/zinc/52/17/89/490521789.db2.gz RTZAJHSDYIPEJZ-SOUVJXGZSA-N 2 0 355.479 0.533 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000423058733 490532459 /nfs/dbraw/zinc/53/24/59/490532459.db2.gz KHSXICYWXTVIAG-UHFFFAOYSA-N 2 0 366.506 0.430 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423061835 490532945 /nfs/dbraw/zinc/53/29/45/490532945.db2.gz LUQPJMMFZRKZET-QGZVFWFLSA-N 2 0 352.523 0.881 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000423061096 490534182 /nfs/dbraw/zinc/53/41/82/490534182.db2.gz QAQWTHXZVMNGIA-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564889493 491334177 /nfs/dbraw/zinc/33/41/77/491334177.db2.gz FIKVDGLINUAYPX-DLBZAZTESA-N 2 0 374.485 0.817 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558354 490542594 /nfs/dbraw/zinc/54/25/94/490542594.db2.gz BVMHNBRECQCMKW-CRAIPNDOSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485805223 490560342 /nfs/dbraw/zinc/56/03/42/490560342.db2.gz LBWMBHMRYFOBGF-OWCLPIDISA-N 2 0 364.494 0.822 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000536218488 490561989 /nfs/dbraw/zinc/56/19/89/490561989.db2.gz BIJJQBZPAIJFKW-LJQANCHMSA-N 2 0 366.550 0.900 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485833165 490562042 /nfs/dbraw/zinc/56/20/42/490562042.db2.gz SOUNAJDCZAKRNZ-AWEZNQCLSA-N 2 0 369.473 0.563 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214930 490571355 /nfs/dbraw/zinc/57/13/55/490571355.db2.gz GLRNUUWVVNMQBV-DOTOQJQBSA-N 2 0 365.522 0.879 20 0 FCADRP CCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000525175085 490581109 /nfs/dbraw/zinc/58/11/09/490581109.db2.gz KDZCQNQHNSFIOP-HNNXBMFYSA-N 2 0 352.479 0.304 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512992 490610659 /nfs/dbraw/zinc/61/06/59/490610659.db2.gz UGPDNCUKXCDXFY-IBGZPJMESA-N 2 0 364.490 0.501 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512993 490610790 /nfs/dbraw/zinc/61/07/90/490610790.db2.gz UGPDNCUKXCDXFY-LJQANCHMSA-N 2 0 364.490 0.501 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501578926 490617730 /nfs/dbraw/zinc/61/77/30/490617730.db2.gz BMLRCGMBRQBXAW-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000486407379 490618925 /nfs/dbraw/zinc/61/89/25/490618925.db2.gz OGGCZFYGTNUZML-OAHLLOKOSA-N 2 0 362.540 0.479 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cccs1 ZINC000536946252 490625710 /nfs/dbraw/zinc/62/57/10/490625710.db2.gz UWJLZMDYRKJBPG-UHFFFAOYSA-N 2 0 355.508 0.613 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640401 490629041 /nfs/dbraw/zinc/62/90/41/490629041.db2.gz OZRAZTRSCANDNO-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000486475794 490636785 /nfs/dbraw/zinc/63/67/85/490636785.db2.gz BEQSEQRTOAFOTR-HZPDHXFCSA-N 2 0 353.511 0.555 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550294290 490655888 /nfs/dbraw/zinc/65/58/88/490655888.db2.gz CTYUWPZWUQYYHF-GOEBONIOSA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1 ZINC000537178501 490657287 /nfs/dbraw/zinc/65/72/87/490657287.db2.gz KVRXXMPEFOETNP-MRXNPFEDSA-N 2 0 354.495 0.110 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2nncn2C1 ZINC000550315443 490659384 /nfs/dbraw/zinc/65/93/84/490659384.db2.gz JLVZCIBZCMUIRB-MRXNPFEDSA-N 2 0 369.473 0.564 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000550337673 490661997 /nfs/dbraw/zinc/66/19/97/490661997.db2.gz LVFCBROKQXAKHO-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771163 490670141 /nfs/dbraw/zinc/67/01/41/490670141.db2.gz KWVOUHBZDWWALI-HOCLYGCPSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@H]1C ZINC000486992136 490685107 /nfs/dbraw/zinc/68/51/07/490685107.db2.gz YRMMGGIEERDYOK-ZXLDYLNASA-N 2 0 364.534 0.830 20 0 FCADRP Cn1ccc(N2CCC[C@H](N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043796 491347345 /nfs/dbraw/zinc/34/73/45/491347345.db2.gz IPKBIEKMSWWSQH-CABCVRRESA-N 2 0 358.450 0.303 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000512819731 490700687 /nfs/dbraw/zinc/70/06/87/490700687.db2.gz GXVORJYVHQETCO-KRWDZBQOSA-N 2 0 355.527 0.112 20 0 FCADRP COc1ccc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527124148 490701228 /nfs/dbraw/zinc/70/12/28/490701228.db2.gz HCNVKVRRMCTNKI-UHFFFAOYSA-N 2 0 366.462 0.594 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1C ZINC000487465221 490714161 /nfs/dbraw/zinc/71/41/61/490714161.db2.gz BREUIQHHFXINRQ-GOSISDBHSA-N 2 0 369.554 0.358 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000557011097 491349348 /nfs/dbraw/zinc/34/93/48/491349348.db2.gz BAUFZTACWUEDNP-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000557036108 491350125 /nfs/dbraw/zinc/35/01/25/491350125.db2.gz WINIZNYNZCWJMQ-GJZGRUSLSA-N 2 0 360.458 0.763 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000502937481 490731174 /nfs/dbraw/zinc/73/11/74/490731174.db2.gz VWCUFPQMEUHMFS-HNNXBMFYSA-N 2 0 353.511 0.713 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000513927882 490754333 /nfs/dbraw/zinc/75/43/33/490754333.db2.gz NCNIIWKHLHGNNE-MRXNPFEDSA-N 2 0 353.511 0.714 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000488618716 490767707 /nfs/dbraw/zinc/76/77/07/490767707.db2.gz GQXDFTZXZSJZDF-APWZRJJASA-N 2 0 365.522 0.666 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000488641696 490769268 /nfs/dbraw/zinc/76/92/68/490769268.db2.gz FFCKPGXDYWXHDI-KRWDZBQOSA-N 2 0 350.507 0.528 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NC1CC[NH+](CC3CC3)CC1)CC[NH2+]CC2 ZINC000514597559 490773266 /nfs/dbraw/zinc/77/32/66/490773266.db2.gz YIXHLNIPZJRBCT-HNNXBMFYSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000514598984 490773276 /nfs/dbraw/zinc/77/32/76/490773276.db2.gz AMOLZQQNWNUXKR-MRXNPFEDSA-N 2 0 372.473 0.901 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000539282508 490774957 /nfs/dbraw/zinc/77/49/57/490774957.db2.gz KQCGFCIUWITFMG-AWEZNQCLSA-N 2 0 364.494 0.935 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121549 491354532 /nfs/dbraw/zinc/35/45/32/491354532.db2.gz VPMNGNBRZQYZHV-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000514663565 490779922 /nfs/dbraw/zinc/77/99/22/490779922.db2.gz FXAYESWHLKMNOZ-LSDHHAIUSA-N 2 0 368.547 0.660 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000539475907 490784431 /nfs/dbraw/zinc/78/44/31/490784431.db2.gz SPJAKSAQVAZCPH-UHFFFAOYSA-N 2 0 351.495 0.490 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049731 490804968 /nfs/dbraw/zinc/80/49/68/490804968.db2.gz PMRYZPONRZJHCD-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000557168699 491357889 /nfs/dbraw/zinc/35/78/89/491357889.db2.gz HPRZGUGPYDPBGI-IBGZPJMESA-N 2 0 370.497 0.659 20 0 FCADRP COc1ccc(NC(=O)NC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000515525850 490830527 /nfs/dbraw/zinc/83/05/27/490830527.db2.gz KTLUIEROPLHNKX-OAHLLOKOSA-N 2 0 361.446 0.323 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000557193853 491358835 /nfs/dbraw/zinc/35/88/35/491358835.db2.gz SAIOFCULGLVUHV-BBWFWOEESA-N 3 0 355.527 0.408 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872192 490842484 /nfs/dbraw/zinc/84/24/84/490842484.db2.gz VCJUAXOPWCUSIX-SPUZQDLCSA-N 2 0 371.485 0.603 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529376754 490857662 /nfs/dbraw/zinc/85/76/62/490857662.db2.gz SJUPGRRMJHHZBI-SOLBZPMBSA-N 2 0 368.522 0.896 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000529376751 490857822 /nfs/dbraw/zinc/85/78/22/490857822.db2.gz SJUPGRRMJHHZBI-JFIYKMOQSA-N 2 0 368.522 0.896 20 0 FCADRP CC(C)[NH+](C)CC(=O)Nc1nn(C)cc1CNC(=O)C[N@@H+](C)C(C)C ZINC000541562960 490866169 /nfs/dbraw/zinc/86/61/69/490866169.db2.gz BKXRMKUBZXYWOX-UHFFFAOYSA-N 2 0 352.483 0.655 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000557261486 491363423 /nfs/dbraw/zinc/36/34/23/491363423.db2.gz MBHXSJPBZAQEGB-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000572316591 491362705 /nfs/dbraw/zinc/36/27/05/491362705.db2.gz SEXGRSRFUVBKAY-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000516591851 490869907 /nfs/dbraw/zinc/86/99/07/490869907.db2.gz BLRBMMXFHONBHK-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000517541620 490911057 /nfs/dbraw/zinc/91/10/57/490911057.db2.gz YDVUGXAVSYYCCW-ZIAGYGMSSA-N 2 0 360.458 0.000 20 0 FCADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000517553616 490911329 /nfs/dbraw/zinc/91/13/29/490911329.db2.gz CVMAQSOPVJGSGH-ZDUSSCGKSA-N 2 0 364.446 0.442 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000530577015 490914263 /nfs/dbraw/zinc/91/42/63/490914263.db2.gz MAYJNIJHJMKKLR-GOSISDBHSA-N 2 0 351.539 0.252 20 0 FCADRP CNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)o1 ZINC000530718570 490920669 /nfs/dbraw/zinc/92/06/69/490920669.db2.gz HGRBAHUVCGPIME-UHFFFAOYSA-N 2 0 360.480 0.062 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000517918509 490924601 /nfs/dbraw/zinc/92/46/01/490924601.db2.gz VBJDCIXAHGSBFE-DOTOQJQBSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000530880331 490929608 /nfs/dbraw/zinc/92/96/08/490929608.db2.gz MPDKJYDSQDWHMI-UHFFFAOYSA-N 2 0 352.454 0.436 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000518225208 490933691 /nfs/dbraw/zinc/93/36/91/490933691.db2.gz HYEGZOSHSMJQSX-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000557288881 491365494 /nfs/dbraw/zinc/36/54/94/491365494.db2.gz ROJNKOOMRBUYEC-NXHRZFHOSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000557295449 491365942 /nfs/dbraw/zinc/36/59/42/491365942.db2.gz GUXMMGPNOSPQAI-GJZGRUSLSA-N 2 0 358.486 0.869 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000519227969 490966158 /nfs/dbraw/zinc/96/61/58/490966158.db2.gz WEZYRBRSGSWBRX-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000519558196 490976159 /nfs/dbraw/zinc/97/61/59/490976159.db2.gz PZJYRRKEQFGPFG-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000557318967 491367775 /nfs/dbraw/zinc/36/77/75/491367775.db2.gz JXXQGMWWDCEZIU-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000519599932 490978294 /nfs/dbraw/zinc/97/82/94/490978294.db2.gz MRUWRHWARMPJCE-GDBMZVCRSA-N 2 0 354.495 0.093 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000519639311 490981044 /nfs/dbraw/zinc/98/10/44/490981044.db2.gz FWCNETYWGRJNAL-UHFFFAOYSA-N 2 0 362.474 0.363 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000660234500 493335784 /nfs/dbraw/zinc/33/57/84/493335784.db2.gz QURNALUNWSDNHA-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000660234501 493335915 /nfs/dbraw/zinc/33/59/15/493335915.db2.gz QURNALUNWSDNHA-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000562689477 491180952 /nfs/dbraw/zinc/18/09/52/491180952.db2.gz DEESTBWGXADLEA-MRXNPFEDSA-N 2 0 364.515 0.945 20 0 FCADRP O=S(=O)(NC1CC[NH+](CCN2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000569723556 491186420 /nfs/dbraw/zinc/18/64/20/491186420.db2.gz BFVHWLVPSSYOOH-UHFFFAOYSA-N 2 0 370.494 0.474 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC)CC2)C1 ZINC000562773681 491188480 /nfs/dbraw/zinc/18/84/80/491188480.db2.gz PKXIFTSOKSIWFR-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000565372716 491373107 /nfs/dbraw/zinc/37/31/07/491373107.db2.gz NDRMRMZTRJYIEG-OLMNPRSZSA-N 2 0 371.485 0.387 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000572500167 491374271 /nfs/dbraw/zinc/37/42/71/491374271.db2.gz GRNAEBLQKUAAMP-FUHWJXTLSA-N 2 0 354.495 0.509 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000572500168 491374461 /nfs/dbraw/zinc/37/44/61/491374461.db2.gz GRNAEBLQKUAAMP-WMZOPIPTSA-N 2 0 354.495 0.509 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432516 491376210 /nfs/dbraw/zinc/37/62/10/491376210.db2.gz VEVRSUYTOXLICR-KSZLIROESA-N 2 0 371.485 0.777 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000557485794 491376933 /nfs/dbraw/zinc/37/69/33/491376933.db2.gz MFOSLZFAFHCPFJ-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000557485793 491376950 /nfs/dbraw/zinc/37/69/50/491376950.db2.gz MFOSLZFAFHCPFJ-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561015 491383298 /nfs/dbraw/zinc/38/32/98/491383298.db2.gz DNQPPJJBSLNGMW-HOCLYGCPSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000557561154 491383352 /nfs/dbraw/zinc/38/33/52/491383352.db2.gz FJZZNFNNKZLGDH-OAHLLOKOSA-N 2 0 372.513 0.801 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000565549297 491383968 /nfs/dbraw/zinc/38/39/68/491383968.db2.gz LDCARFGCBXZOPF-BBWFWOEESA-N 2 0 359.474 0.113 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572945452 491403260 /nfs/dbraw/zinc/40/32/60/491403260.db2.gz PHTNVXAZIYAFPS-UHFFFAOYSA-N 2 0 364.465 0.832 20 0 FCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CN1CCN1CCOCC1 ZINC000572990498 491405974 /nfs/dbraw/zinc/40/59/74/491405974.db2.gz CGXANMPRIDOUGI-INDMIFKZSA-N 2 0 364.534 0.820 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000557952630 491406166 /nfs/dbraw/zinc/40/61/66/491406166.db2.gz CXMVVQKAXUFNFE-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000565904056 491406978 /nfs/dbraw/zinc/40/69/78/491406978.db2.gz BEUKKQZCJGJVAU-RDJZCZTQSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099180 491412604 /nfs/dbraw/zinc/41/26/04/491412604.db2.gz QGIBDNBGUOUDRY-RDTXWAMCSA-N 2 0 373.501 0.537 20 0 FCADRP CN1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000566067304 491415151 /nfs/dbraw/zinc/41/51/51/491415151.db2.gz UTBMRMOWGZJGSV-OAHLLOKOSA-N 2 0 366.487 0.114 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000566179985 491423294 /nfs/dbraw/zinc/42/32/94/491423294.db2.gz ZCJIIHYZXCRZRZ-GOSISDBHSA-N 2 0 374.485 0.646 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000566193853 491424346 /nfs/dbraw/zinc/42/43/46/491424346.db2.gz NLGGEXZQTUNQAT-OAHLLOKOSA-N 2 0 350.467 0.385 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373081 493342445 /nfs/dbraw/zinc/34/24/45/493342445.db2.gz YBKLACKYESBEIP-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348239 491438291 /nfs/dbraw/zinc/43/82/91/491438291.db2.gz QZPBJIYWTLKQFN-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496679 491448944 /nfs/dbraw/zinc/44/89/44/491448944.db2.gz SZUAQUZXLWUVCI-MSOLQXFVSA-N 2 0 356.470 0.669 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000573701531 491449089 /nfs/dbraw/zinc/44/90/89/491449089.db2.gz BQRHBXFTQDDDIY-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000573793497 491455076 /nfs/dbraw/zinc/45/50/76/491455076.db2.gz XOBCZYLLGFORBR-HNNXBMFYSA-N 2 0 364.465 0.913 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000566640975 491457911 /nfs/dbraw/zinc/45/79/11/491457911.db2.gz RAJOQMIUUVOJCD-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000573839699 491458257 /nfs/dbraw/zinc/45/82/57/491458257.db2.gz FHNKGZGZIYTUIB-CQSZACIVSA-N 2 0 354.520 0.332 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000573855987 491459538 /nfs/dbraw/zinc/45/95/38/491459538.db2.gz GMSNSWTXIAJNGD-UHFFFAOYSA-N 2 0 354.495 0.143 20 0 FCADRP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566732754 491463348 /nfs/dbraw/zinc/46/33/48/491463348.db2.gz DLNNGGLFASJOFL-VCBZYWHSSA-N 2 0 372.473 0.150 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000566739714 491464070 /nfs/dbraw/zinc/46/40/70/491464070.db2.gz IJSZTSWTFIAVRI-ARFHVFGLSA-N 2 0 351.495 0.319 20 0 FCADRP COc1ccc(OC)c(CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000573942297 491464102 /nfs/dbraw/zinc/46/41/02/491464102.db2.gz RKKJYGXTOCXAGW-OAHLLOKOSA-N 2 0 350.463 0.921 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559327744 491464511 /nfs/dbraw/zinc/46/45/11/491464511.db2.gz DUTCXGIUFHWVAR-UHFFFAOYSA-N 2 0 356.511 0.496 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000573960056 491465497 /nfs/dbraw/zinc/46/54/97/491465497.db2.gz ZOXCLBIWMQWEAS-ARFHVFGLSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)nc2)CC1 ZINC000574036322 491470386 /nfs/dbraw/zinc/47/03/86/491470386.db2.gz LSTABGVVGSZOND-AWEZNQCLSA-N 2 0 370.461 0.429 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000559439702 491472475 /nfs/dbraw/zinc/47/24/75/491472475.db2.gz MDDGZFBTNXGRGJ-BZUAXINKSA-N 2 0 354.495 0.058 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150767 491477314 /nfs/dbraw/zinc/47/73/14/491477314.db2.gz GAPROAOESGNZDY-RBUKOAKNSA-N 2 0 371.485 0.731 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000566987477 491479588 /nfs/dbraw/zinc/47/95/88/491479588.db2.gz YBBZJRSDKAQEHY-ZACQAIPSSA-N 2 0 366.506 0.012 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368562 493341507 /nfs/dbraw/zinc/34/15/07/493341507.db2.gz BNLRTJXIJUEMLX-MSOLQXFVSA-N 2 0 360.502 0.876 20 0 FCADRP CC(C)[N@H+](C)C[C@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124628 491487363 /nfs/dbraw/zinc/48/73/63/491487363.db2.gz NQSLKSYSHHHHCI-OKZBNKHCSA-N 2 0 359.470 0.805 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000574382163 491492577 /nfs/dbraw/zinc/49/25/77/491492577.db2.gz QALVLIGTHKDYEA-UHFFFAOYSA-N 2 0 361.490 0.935 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000559744774 491494918 /nfs/dbraw/zinc/49/49/18/491494918.db2.gz CNRUTNLCDYFDIM-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000559760932 491496852 /nfs/dbraw/zinc/49/68/52/491496852.db2.gz SFYGGNMAUGYURV-YESZJQIVSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559903916 491509334 /nfs/dbraw/zinc/50/93/34/491509334.db2.gz OAGKJQCSNDWDKO-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560021428 491515687 /nfs/dbraw/zinc/51/56/87/491515687.db2.gz AFDNCNNAWCTCLW-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000574815449 491521943 /nfs/dbraw/zinc/52/19/43/491521943.db2.gz XCXZLTOQRKXDAD-OALUTQOASA-N 2 0 362.518 0.403 20 0 FCADRP Cc1ccc(NC(=O)NC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000574907706 491527268 /nfs/dbraw/zinc/52/72/68/491527268.db2.gz GJLFIRSLGQOIMI-QGZVFWFLSA-N 2 0 359.474 0.931 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000567815065 491531486 /nfs/dbraw/zinc/53/14/86/491531486.db2.gz VFAMNSGTDOGQAX-MEDUHNTESA-N 2 0 356.829 0.663 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567870531 491536280 /nfs/dbraw/zinc/53/62/80/491536280.db2.gz GBSXBUSNMAVWJV-INIZCTEOSA-N 2 0 363.506 0.752 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575057826 491536601 /nfs/dbraw/zinc/53/66/01/491536601.db2.gz QVLUWWVMIAWTOD-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000567928241 491541596 /nfs/dbraw/zinc/54/15/96/491541596.db2.gz JLACXLJWSDZFPR-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4OCC[NH2+][C@H]4C3)cc2)CC1 ZINC000568094302 491552776 /nfs/dbraw/zinc/55/27/76/491552776.db2.gz BRPVWZXMCWMRJV-RBUKOAKNSA-N 2 0 358.486 0.637 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]4OCC[NH2+][C@H]4C3)cc2)CC1 ZINC000568094301 491552882 /nfs/dbraw/zinc/55/28/82/491552882.db2.gz BRPVWZXMCWMRJV-OALUTQOASA-N 2 0 358.486 0.637 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000560728910 491553571 /nfs/dbraw/zinc/55/35/71/491553571.db2.gz XXDDPLPHDXSZCQ-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cc(F)cc(F)c1 ZINC000560890795 491562428 /nfs/dbraw/zinc/56/24/28/491562428.db2.gz JTTLEXVELWOCOF-UHFFFAOYSA-N 2 0 370.444 0.575 20 0 FCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000568287734 491566960 /nfs/dbraw/zinc/56/69/60/491566960.db2.gz IABVNEVCSSTKSI-BRWVUGGUSA-N 2 0 359.474 0.763 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000568292600 491567414 /nfs/dbraw/zinc/56/74/14/491567414.db2.gz RGLCMDJPNMRUFV-QGZVFWFLSA-N 2 0 364.490 0.619 20 0 FCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568294430 491567884 /nfs/dbraw/zinc/56/78/84/491567884.db2.gz RMGOPROLXRQJDP-INIZCTEOSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000575987996 491574364 /nfs/dbraw/zinc/57/43/64/491574364.db2.gz XEAOLQYSNFZVKL-DEWZPKMOSA-N 2 0 350.507 0.775 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000576037049 491577373 /nfs/dbraw/zinc/57/73/73/491577373.db2.gz IXMKZPQLZQKCIA-MRXNPFEDSA-N 2 0 363.510 0.034 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136143 491578044 /nfs/dbraw/zinc/57/80/44/491578044.db2.gz AUKQWAQOOXONED-ZACQAIPSSA-N 2 0 363.506 0.467 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000568491702 491580367 /nfs/dbraw/zinc/58/03/67/491580367.db2.gz IUXFPODMDGKIBA-UHFFFAOYSA-N 2 0 358.527 0.689 20 0 FCADRP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568501507 491580602 /nfs/dbraw/zinc/58/06/02/491580602.db2.gz PBNBKMJSSDLTEI-PBHICJAKSA-N 2 0 358.442 0.938 20 0 FCADRP CC1(C)CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000561203955 491582715 /nfs/dbraw/zinc/58/27/15/491582715.db2.gz WANYKZQDHWHNNC-UHFFFAOYSA-N 2 0 373.501 0.724 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000584396557 491586510 /nfs/dbraw/zinc/58/65/10/491586510.db2.gz RIJFJTWHEGADIX-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000576146377 491586690 /nfs/dbraw/zinc/58/66/90/491586690.db2.gz VKXSBOYNIWJNHY-JKIFEVAISA-N 2 0 350.507 0.774 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000576155751 491587382 /nfs/dbraw/zinc/58/73/82/491587382.db2.gz CEMZVLUKWOISNB-SFHVURJKSA-N 2 0 358.486 0.932 20 0 FCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000584410941 491588176 /nfs/dbraw/zinc/58/81/76/491588176.db2.gz ZATJLDAYGIJCLK-IAGOWNOFSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000577085002 491588811 /nfs/dbraw/zinc/58/88/11/491588811.db2.gz QKHMMDBMPMHLGK-GJZGRUSLSA-N 2 0 368.547 0.660 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000561321627 491597505 /nfs/dbraw/zinc/59/75/05/491597505.db2.gz KEVDWWYAQSJFSL-OAHLLOKOSA-N 2 0 356.511 0.448 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000584496527 491597567 /nfs/dbraw/zinc/59/75/67/491597567.db2.gz HSNFNYJXSYUNMH-CVEARBPZSA-N 2 0 350.507 0.943 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000584554932 491603602 /nfs/dbraw/zinc/60/36/02/491603602.db2.gz GXSAXNUVPUQRGO-CAOSSQGBSA-N 2 0 366.506 0.343 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000584554934 491604104 /nfs/dbraw/zinc/60/41/04/491604104.db2.gz GXSAXNUVPUQRGO-LVQVYYBASA-N 2 0 366.506 0.343 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000568906558 491618790 /nfs/dbraw/zinc/61/87/90/491618790.db2.gz DZFIQFYEQODPBZ-SFHVURJKSA-N 2 0 370.497 0.904 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000576493595 491619986 /nfs/dbraw/zinc/61/99/86/491619986.db2.gz VYKSSHJWZXEPBN-CABCVRRESA-N 2 0 352.866 0.927 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000577421713 491621035 /nfs/dbraw/zinc/62/10/35/491621035.db2.gz JEVWRVUOWZEBKQ-GOEBONIOSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553955 491624977 /nfs/dbraw/zinc/62/49/77/491624977.db2.gz LMIJOBSPNWPNKR-ICSRJNTNSA-N 2 0 361.486 0.586 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CCN2C1=O ZINC000577510144 491628084 /nfs/dbraw/zinc/62/80/84/491628084.db2.gz WOBSGXYDCKNSCG-DLBZAZTESA-N 2 0 374.510 0.619 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000576599937 491628697 /nfs/dbraw/zinc/62/86/97/491628697.db2.gz QATSXGNYXZBCOP-WMZOPIPTSA-N 2 0 360.502 0.734 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000569049134 491630148 /nfs/dbraw/zinc/63/01/48/491630148.db2.gz YDXYKDCLFMDDNT-IAGOWNOFSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000576654475 491633590 /nfs/dbraw/zinc/63/35/90/491633590.db2.gz NPWXRPJRDBTDON-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687307 491635763 /nfs/dbraw/zinc/63/57/63/491635763.db2.gz NPHFXSAZPSYAQL-IRXDYDNUSA-N 2 0 365.522 0.714 20 0 FCADRP C[NH+](C)C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000577726598 491646644 /nfs/dbraw/zinc/64/66/44/491646644.db2.gz VWRUPQVBRNKXLE-OAHLLOKOSA-N 2 0 367.881 0.674 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000577740743 491648051 /nfs/dbraw/zinc/64/80/51/491648051.db2.gz QIOZZMDEGFMDRB-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000569351243 491654994 /nfs/dbraw/zinc/65/49/94/491654994.db2.gz UTKCXVREBATFKV-NVXWUHKLSA-N 2 0 352.479 0.335 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458502 491663314 /nfs/dbraw/zinc/66/33/14/491663314.db2.gz MBQQZNXWSAIJTI-GDBMZVCRSA-N 2 0 369.531 0.629 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000569460680 491663571 /nfs/dbraw/zinc/66/35/71/491663571.db2.gz HIXNZZMKUDTHBB-UHFFFAOYSA-N 2 0 366.550 0.802 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000576992298 491663610 /nfs/dbraw/zinc/66/36/10/491663610.db2.gz ZKLDOGFQZPGPNS-OAHLLOKOSA-N 2 0 350.463 0.607 20 0 FCADRP COCC1(CNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC[NH2+]CC1 ZINC000578306539 491674297 /nfs/dbraw/zinc/67/42/97/491674297.db2.gz PXGYJYAHVSJLQA-IAGOWNOFSA-N 2 0 368.522 0.945 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000578354033 491675426 /nfs/dbraw/zinc/67/54/26/491675426.db2.gz HGVAMTGKWKQUGH-JQHSSLGASA-N 2 0 374.485 0.260 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510058 491678690 /nfs/dbraw/zinc/67/86/90/491678690.db2.gz YEELJCDLLXGSAT-INMHGKMJSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510057 491678813 /nfs/dbraw/zinc/67/88/13/491678813.db2.gz YEELJCDLLXGSAT-HLLBOEOZSA-N 2 0 350.507 0.964 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000578572437 491680040 /nfs/dbraw/zinc/68/00/40/491680040.db2.gz LIYWLAQMLURIAT-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C[C@@H]1[NH3+] ZINC000578738656 491683148 /nfs/dbraw/zinc/68/31/48/491683148.db2.gz JTFDGMJRVSZZOQ-PLMTUMEDSA-N 2 0 370.497 0.917 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000578744366 491683385 /nfs/dbraw/zinc/68/33/85/491683385.db2.gz FCYMVDHWQWCKFI-KRWDZBQOSA-N 2 0 359.474 0.421 20 0 FCADRP O=C(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000578980705 491688238 /nfs/dbraw/zinc/68/82/38/491688238.db2.gz QNWIINJTNLYMNL-KRWDZBQOSA-N 2 0 359.474 0.240 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000579270090 491694458 /nfs/dbraw/zinc/69/44/58/491694458.db2.gz OKJRATFNBMJBFZ-OAHLLOKOSA-N 2 0 356.511 0.402 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)Cc2ccccc2C1 ZINC000579377865 491696885 /nfs/dbraw/zinc/69/68/85/491696885.db2.gz BQPZPRJFGMGPKD-SJORKVTESA-N 2 0 371.485 0.039 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461751 491698161 /nfs/dbraw/zinc/69/81/61/491698161.db2.gz PIFKOKIQLTUMIK-HOTGVXAUSA-N 2 0 350.507 0.776 20 0 FCADRP COC(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000579669847 491702504 /nfs/dbraw/zinc/70/25/04/491702504.db2.gz UEFZXNYDTVAWJK-UHFFFAOYSA-N 2 0 364.446 0.364 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579822494 491705954 /nfs/dbraw/zinc/70/59/54/491705954.db2.gz WHEFFQVPKIIPLP-BZSNNMDCSA-N 2 0 362.518 0.921 20 0 FCADRP CN1CCN(C(=O)CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822367 491705991 /nfs/dbraw/zinc/70/59/91/491705991.db2.gz BMOMZYBHRAFHJS-FXAWDEMLSA-N 2 0 358.486 0.996 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000579829583 491706204 /nfs/dbraw/zinc/70/62/04/491706204.db2.gz RMNJKRQSUBQAEJ-INIZCTEOSA-N 2 0 367.421 0.676 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCCC1 ZINC000584669958 491709714 /nfs/dbraw/zinc/70/97/14/491709714.db2.gz VSRQMEOGPUHLED-MRXNPFEDSA-N 2 0 368.522 0.140 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584711103 491710879 /nfs/dbraw/zinc/71/08/79/491710879.db2.gz JHLTZEDIVARTCB-DOMZBBRYSA-N 2 0 352.866 0.879 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000580006182 491713357 /nfs/dbraw/zinc/71/33/57/491713357.db2.gz OOODIOQGGBMAOA-HZPDHXFCSA-N 2 0 350.507 0.991 20 0 FCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000580054598 491715096 /nfs/dbraw/zinc/71/50/96/491715096.db2.gz SPQYVPIVJWQSLS-BWTSREIZSA-N 2 0 357.502 0.663 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000580062707 491715540 /nfs/dbraw/zinc/71/55/40/491715540.db2.gz WBCYWYIBRSDAEX-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000580070832 491715974 /nfs/dbraw/zinc/71/59/74/491715974.db2.gz AZWFRXDVVDBTPS-CQSZACIVSA-N 2 0 359.396 0.781 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584828826 491716179 /nfs/dbraw/zinc/71/61/79/491716179.db2.gz CZOZIQVEKMNUQJ-KGLIPLIRSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000580342616 491727355 /nfs/dbraw/zinc/72/73/55/491727355.db2.gz FEBPLJUHMOCGAU-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580484584 491733223 /nfs/dbraw/zinc/73/32/23/491733223.db2.gz SYQDUYLIHUNFKQ-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000580538435 491734999 /nfs/dbraw/zinc/73/49/99/491734999.db2.gz HFYRFJSLTAIHAC-GXTWGEPZSA-N 2 0 350.488 0.820 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000580543532 491735413 /nfs/dbraw/zinc/73/54/13/491735413.db2.gz GXHPLEPRDIFJLX-LHDHZVESSA-N 2 0 369.550 0.814 20 0 FCADRP C[C@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000581071307 491758018 /nfs/dbraw/zinc/75/80/18/491758018.db2.gz OPROLBYASSZERR-AWEZNQCLSA-N 2 0 368.503 0.034 20 0 FCADRP CN1CCC2(CC[NH+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)C1=O ZINC000683618422 493360561 /nfs/dbraw/zinc/36/05/61/493360561.db2.gz UDOMZJDABICKQK-AWEZNQCLSA-N 2 0 350.463 0.010 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000581245153 491765318 /nfs/dbraw/zinc/76/53/18/491765318.db2.gz AYKSDAWIHFYXLD-YSHGAJCASA-N 2 0 370.497 0.773 20 0 FCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581308249 491768227 /nfs/dbraw/zinc/76/82/27/491768227.db2.gz DJCXJVHSCAPIRQ-QGZVFWFLSA-N 2 0 360.506 0.885 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000581809780 491786164 /nfs/dbraw/zinc/78/61/64/491786164.db2.gz RSBOJXLJZBOODN-CRAIPNDOSA-N 2 0 364.490 0.610 20 0 FCADRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(N)=O ZINC000591085522 491795724 /nfs/dbraw/zinc/79/57/24/491795724.db2.gz DWHIZPTUYQMHNO-UHFFFAOYSA-N 2 0 356.492 0.208 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000591285544 491800970 /nfs/dbraw/zinc/80/09/70/491800970.db2.gz BVBZEOHMIXUCQD-UHFFFAOYSA-N 2 0 356.492 0.208 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582231545 491803080 /nfs/dbraw/zinc/80/30/80/491803080.db2.gz NHOZSDSDIFSRJD-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP COC(=O)c1c(NCC2([NH+](C)C)CC2)ncnc1NCC1([NH+](C)C)CC1 ZINC000591370662 491804228 /nfs/dbraw/zinc/80/42/28/491804228.db2.gz YWPBDNCQPOYHLO-UHFFFAOYSA-N 2 0 362.478 1.275 20 0 FCADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000591448477 491805864 /nfs/dbraw/zinc/80/58/64/491805864.db2.gz IRWMGCYZCVVVSO-KRWDZBQOSA-N 2 0 359.474 0.382 20 0 FCADRP Cn1c2ncn(CCN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291791 491805882 /nfs/dbraw/zinc/80/58/82/491805882.db2.gz VMRYVWYORHWMCH-ZIAGYGMSSA-N 2 0 360.462 0.040 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000582542432 491816844 /nfs/dbraw/zinc/81/68/44/491816844.db2.gz WPBVDMRANBWQQK-CABCVRRESA-N 2 0 366.893 0.643 20 0 FCADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000582670458 491822098 /nfs/dbraw/zinc/82/20/98/491822098.db2.gz YRVVBVAYKHPMPD-MSOLQXFVSA-N 2 0 364.534 0.679 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000582727302 491824244 /nfs/dbraw/zinc/82/42/44/491824244.db2.gz GOJXJUBWHVOKRB-SFHVURJKSA-N 2 0 362.522 0.955 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740276 491824905 /nfs/dbraw/zinc/82/49/05/491824905.db2.gz KDZMEEVYOTWVGY-DYVFJYSZSA-N 2 0 354.520 0.140 20 0 FCADRP C[NH2+][C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)c1cnn(C)c1 ZINC000582966695 491834356 /nfs/dbraw/zinc/83/43/56/491834356.db2.gz QQCUBKFACPYTGH-SFHVURJKSA-N 2 0 371.489 0.486 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000582977328 491834923 /nfs/dbraw/zinc/83/49/23/491834923.db2.gz DWMGIXHNWSWVPG-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991074 491835628 /nfs/dbraw/zinc/83/56/28/491835628.db2.gz XLSHOIYZHTZLKI-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000583312204 491842078 /nfs/dbraw/zinc/84/20/78/491842078.db2.gz OABDCXGACUGDST-HRCADAONSA-N 2 0 351.495 0.452 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434844 491844724 /nfs/dbraw/zinc/84/47/24/491844724.db2.gz GHNRWGJPFWTTNH-YLJYHZDGSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000583494070 491846066 /nfs/dbraw/zinc/84/60/66/491846066.db2.gz IPCBAGRYDUNVSJ-UWJYYQICSA-N 2 0 370.497 0.931 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000583555160 491847250 /nfs/dbraw/zinc/84/72/50/491847250.db2.gz GKSAIMJQXRCMJN-LJISPDSOSA-N 2 0 352.479 0.301 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000583555159 491847282 /nfs/dbraw/zinc/84/72/82/491847282.db2.gz GKSAIMJQXRCMJN-KBXIAJHMSA-N 2 0 352.479 0.301 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000583644649 491849368 /nfs/dbraw/zinc/84/93/68/491849368.db2.gz NFZKHCAVRGJDAM-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000583862117 491853451 /nfs/dbraw/zinc/85/34/51/491853451.db2.gz CKGHNHPIFLZGPM-DZGCQCFKSA-N 2 0 352.479 0.302 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000583866129 491853680 /nfs/dbraw/zinc/85/36/80/491853680.db2.gz WKADBBWQFQWJTM-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(C[NH+](C)C)nc3)CC2)C1=O ZINC000583995918 491856177 /nfs/dbraw/zinc/85/61/77/491856177.db2.gz CHHQDYJNOUYLMW-KRWDZBQOSA-N 2 0 359.474 0.568 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000584048607 491857335 /nfs/dbraw/zinc/85/73/35/491857335.db2.gz YTLGJSCBIHDOMX-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000584068760 491857883 /nfs/dbraw/zinc/85/78/83/491857883.db2.gz GHWSNXDBXQBZJL-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000611757589 491872443 /nfs/dbraw/zinc/87/24/43/491872443.db2.gz GAZMMLHRQXFTEE-HZPDHXFCSA-N 2 0 350.507 0.990 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611839624 491877512 /nfs/dbraw/zinc/87/75/12/491877512.db2.gz VRKAJZIOFBZYEQ-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000595263273 491908496 /nfs/dbraw/zinc/90/84/96/491908496.db2.gz RMAGFJDYDWHJJV-ZQDZILKHSA-N 2 0 363.462 0.662 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263548 491908538 /nfs/dbraw/zinc/90/85/38/491908538.db2.gz FEVRAEHPEKNLKF-IAGOWNOFSA-N 2 0 372.473 0.251 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000612484420 491924728 /nfs/dbraw/zinc/92/47/28/491924728.db2.gz BONKCGMLONLWEA-ULQDDVLXSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612486496 491924870 /nfs/dbraw/zinc/92/48/70/491924870.db2.gz SECIZIGHWNIMKZ-KRWDZBQOSA-N 3 0 369.554 0.175 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594603 491936625 /nfs/dbraw/zinc/93/66/25/491936625.db2.gz NFPZYVYNSPNNNS-INIZCTEOSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612597198 491937343 /nfs/dbraw/zinc/93/73/43/491937343.db2.gz CJGRNRVEMQLPIK-INIZCTEOSA-N 2 0 354.495 0.155 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777563 491950309 /nfs/dbraw/zinc/95/03/09/491950309.db2.gz YRBJABUKYRAVND-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CC34CC[NH2+]CC4)ccn2)CC1 ZINC000612962657 491959827 /nfs/dbraw/zinc/95/98/27/491959827.db2.gz IJRDUEYNTGSCPY-MRXNPFEDSA-N 2 0 358.490 0.775 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000595893125 491960083 /nfs/dbraw/zinc/96/00/83/491960083.db2.gz POKMZVYRMYTFPA-YQQAZPJKSA-N 2 0 353.463 0.369 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612972030 491960228 /nfs/dbraw/zinc/96/02/28/491960228.db2.gz VIODTZJWDBQENR-INIZCTEOSA-N 2 0 358.490 0.775 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000596843671 492002247 /nfs/dbraw/zinc/00/22/47/492002247.db2.gz HSGZPHYTVWHYDF-CVEARBPZSA-N 2 0 354.495 0.853 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000614437069 492029913 /nfs/dbraw/zinc/02/99/13/492029913.db2.gz BXDISYNOBNNZDF-GOSISDBHSA-N 2 0 352.523 0.727 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)ccn2)CC1 ZINC000604169046 492052417 /nfs/dbraw/zinc/05/24/17/492052417.db2.gz GTWHVEJNZMGLOZ-INIZCTEOSA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC000604632419 492065339 /nfs/dbraw/zinc/06/53/39/492065339.db2.gz LTUFDFDXLNFLJB-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652236 492066509 /nfs/dbraw/zinc/06/65/09/492066509.db2.gz VAHDUIHZVASFSD-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668764 492067648 /nfs/dbraw/zinc/06/76/48/492067648.db2.gz KNTCJIZEHIAMAX-QGZVFWFLSA-N 2 0 353.511 0.130 20 0 FCADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000615091068 492072279 /nfs/dbraw/zinc/07/22/79/492072279.db2.gz XONGMRMRCFZPFI-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274011 492084128 /nfs/dbraw/zinc/08/41/28/492084128.db2.gz JNACGNGJHVWOES-OAQYLSRUSA-N 2 0 372.513 0.329 20 0 FCADRP C[C@@H]1C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505116 492092803 /nfs/dbraw/zinc/09/28/03/492092803.db2.gz NSFQQSHJATXNNU-GJWQZFMSSA-N 2 0 364.534 0.689 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000605882252 492105049 /nfs/dbraw/zinc/10/50/49/492105049.db2.gz ODCYFPOMQAWLDF-HNNXBMFYSA-N 2 0 356.511 0.896 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691939 492126535 /nfs/dbraw/zinc/12/65/35/492126535.db2.gz DOUJGETYRIGDFE-FUHWJXTLSA-N 2 0 367.538 0.422 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607226883 492141052 /nfs/dbraw/zinc/14/10/52/492141052.db2.gz IMKIVANZQBXIAV-KRWDZBQOSA-N 3 0 357.543 0.478 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000607236021 492141565 /nfs/dbraw/zinc/14/15/65/492141565.db2.gz PDUHECRUIOALND-UHFFFAOYSA-N 2 0 367.469 0.690 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112038 492155528 /nfs/dbraw/zinc/15/55/28/492155528.db2.gz LPCINZMTIIEEID-INIZCTEOSA-N 2 0 353.507 0.962 20 0 FCADRP COCCCOC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608017078 492162690 /nfs/dbraw/zinc/16/26/90/492162690.db2.gz HLABOSSGNFGDGE-INIZCTEOSA-N 2 0 355.479 0.583 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000610250156 492239064 /nfs/dbraw/zinc/23/90/64/492239064.db2.gz BSXADKPPFKKAGD-OAHLLOKOSA-N 2 0 351.495 0.417 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000619900063 492282612 /nfs/dbraw/zinc/28/26/12/492282612.db2.gz RMEIYEXFZBHRCT-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000647495033 492298510 /nfs/dbraw/zinc/29/85/10/492298510.db2.gz LECDUXMZNOGOCG-VXGBXAGGSA-N 2 0 354.426 0.947 20 0 FCADRP C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641740962 492301867 /nfs/dbraw/zinc/30/18/67/492301867.db2.gz RVGFWUPDNIOIBE-QGZVFWFLSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641779917 492303901 /nfs/dbraw/zinc/30/39/01/492303901.db2.gz TVFNVLIUZMIPRZ-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2(CCCC2)O1 ZINC000647558422 492305854 /nfs/dbraw/zinc/30/58/54/492305854.db2.gz IWTDVTHAZNGULY-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470115 492309264 /nfs/dbraw/zinc/30/92/64/492309264.db2.gz LQOJNESYPIYSMA-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627471943 492310196 /nfs/dbraw/zinc/31/01/96/492310196.db2.gz BYFVAFQGHCSSJP-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000641825687 492311291 /nfs/dbraw/zinc/31/12/91/492311291.db2.gz WARYVORCTOAQGF-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000620475478 492311577 /nfs/dbraw/zinc/31/15/77/492311577.db2.gz PYSYFOQMCQRBMC-OTWHNJEPSA-N 2 0 365.518 0.791 20 0 FCADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000627481706 492317031 /nfs/dbraw/zinc/31/70/31/492317031.db2.gz HHSHQQLOQOSTJZ-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568666 492317381 /nfs/dbraw/zinc/31/73/81/492317381.db2.gz RAVRVMBMRYOIMV-KRWDZBQOSA-N 2 0 359.474 0.673 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840656 492317539 /nfs/dbraw/zinc/31/75/39/492317539.db2.gz ASBSKHWDSMHZTP-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202077 492326747 /nfs/dbraw/zinc/32/67/47/492326747.db2.gz BOTFKYLMKAIYNY-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000642096155 492333724 /nfs/dbraw/zinc/33/37/24/492333724.db2.gz HNAPSMOTPLXXQC-WBVHZDCISA-N 2 0 362.474 0.672 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000642096154 492334191 /nfs/dbraw/zinc/33/41/91/492334191.db2.gz HNAPSMOTPLXXQC-RDJZCZTQSA-N 2 0 362.474 0.672 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642101817 492334693 /nfs/dbraw/zinc/33/46/93/492334693.db2.gz SXIQJDRIOVCLHB-KURKYZTESA-N 2 0 356.470 0.588 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642104452 492335026 /nfs/dbraw/zinc/33/50/26/492335026.db2.gz UNPXXTMSGFYWQM-FGTMMUONSA-N 2 0 358.486 0.486 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654679019 492337520 /nfs/dbraw/zinc/33/75/20/492337520.db2.gz LDJOPHDTSUNKHB-KRWDZBQOSA-N 3 0 364.538 0.933 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654679020 492337933 /nfs/dbraw/zinc/33/79/33/492337933.db2.gz LDJOPHDTSUNKHB-QGZVFWFLSA-N 3 0 364.538 0.933 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642189644 492339170 /nfs/dbraw/zinc/33/91/70/492339170.db2.gz DJETXGAIRLQFMA-MSOLQXFVSA-N 2 0 374.485 0.128 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642189645 492339261 /nfs/dbraw/zinc/33/92/61/492339261.db2.gz DJETXGAIRLQFMA-QZTJIDSGSA-N 2 0 374.485 0.128 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195158 492340385 /nfs/dbraw/zinc/34/03/85/492340385.db2.gz ABKGYEUHCLSXGB-QXSJWSMHSA-N 2 0 350.507 0.964 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@@H]1CC[N@H+](C)C1 ZINC000654703357 492342204 /nfs/dbraw/zinc/34/22/04/492342204.db2.gz VZBUSPYSNNZYRG-CKEIUWERSA-N 2 0 362.478 0.866 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000642236421 492343155 /nfs/dbraw/zinc/34/31/55/492343155.db2.gz OUTPFJVFECCUNN-MNEFBYGVSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000642253931 492345331 /nfs/dbraw/zinc/34/53/31/492345331.db2.gz RGYFVILNFDCELN-MSOLQXFVSA-N 2 0 374.485 0.119 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253854 492345788 /nfs/dbraw/zinc/34/57/88/492345788.db2.gz LQKZWOFCFOLUNC-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000642257945 492347182 /nfs/dbraw/zinc/34/71/82/492347182.db2.gz NNGYJWTUDMATLU-CVEARBPZSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000642257950 492347216 /nfs/dbraw/zinc/34/72/16/492347216.db2.gz NNGYJWTUDMATLU-HOTGVXAUSA-N 2 0 354.495 0.333 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642257983 492347219 /nfs/dbraw/zinc/34/72/19/492347219.db2.gz SMKTXFZPGFZQBP-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642332324 492351626 /nfs/dbraw/zinc/35/16/26/492351626.db2.gz CDQOLGPZGVBVTB-IDCNUPLLSA-N 2 0 374.485 0.513 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330480 492352048 /nfs/dbraw/zinc/35/20/48/492352048.db2.gz MBHYTLPLMJKQHB-RBSFLKMASA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]1 ZINC000642330552 492352180 /nfs/dbraw/zinc/35/21/80/492352180.db2.gz UOUBFWICSSQRTQ-WCXIOVBPSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642330427 492352317 /nfs/dbraw/zinc/35/23/17/492352317.db2.gz HVRWYVPNQBLDIO-HNAYVOBHSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000642449989 492358838 /nfs/dbraw/zinc/35/88/38/492358838.db2.gz AMFKHBPGHXEOEQ-OAHLLOKOSA-N 2 0 352.866 0.927 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCCCCC1 ZINC000642529978 492361719 /nfs/dbraw/zinc/36/17/19/492361719.db2.gz URLCWPWOTPURDV-IXDOHACOSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640706 492369386 /nfs/dbraw/zinc/36/93/86/492369386.db2.gz KLICKWHVAFIYSK-IPMKNSEASA-N 2 0 370.497 0.739 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000642686181 492373224 /nfs/dbraw/zinc/37/32/24/492373224.db2.gz MQDDAKGRMHFNMT-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642750508 492384443 /nfs/dbraw/zinc/38/44/43/492384443.db2.gz NNQXRPSBVKZUIX-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642759554 492386455 /nfs/dbraw/zinc/38/64/55/492386455.db2.gz PYQHUJWZPDXYQT-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000647967710 492389226 /nfs/dbraw/zinc/38/92/26/492389226.db2.gz XACDSZGUJKXGTB-FHWLQOOXSA-N 2 0 358.571 0.395 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000642801802 492395812 /nfs/dbraw/zinc/39/58/12/492395812.db2.gz FNMAXHZHPSHMHO-QAPCUYQASA-N 2 0 374.485 0.342 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887402 492397244 /nfs/dbraw/zinc/39/72/44/492397244.db2.gz SZJGHUCNVLBFKR-DZOHQFGASA-N 2 0 374.460 0.822 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000642892943 492397698 /nfs/dbraw/zinc/39/76/98/492397698.db2.gz DDZSTHTYAIDXTJ-GOSISDBHSA-N 2 0 358.486 0.898 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000642898816 492398420 /nfs/dbraw/zinc/39/84/20/492398420.db2.gz PTZXYELMYYMLLB-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642906235 492400740 /nfs/dbraw/zinc/40/07/40/492400740.db2.gz ATLXIEXYAMNIQQ-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642906236 492401060 /nfs/dbraw/zinc/40/10/60/492401060.db2.gz ATLXIEXYAMNIQQ-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919826 492403966 /nfs/dbraw/zinc/40/39/66/492403966.db2.gz IXKNNSDOBCESNT-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000642922021 492404537 /nfs/dbraw/zinc/40/45/37/492404537.db2.gz FGYKXMIUSAGGEO-FUHWJXTLSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973145 492409104 /nfs/dbraw/zinc/40/91/04/492409104.db2.gz LBYQIVHXHACFPD-IBGZPJMESA-N 2 0 350.507 0.969 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642988410 492412232 /nfs/dbraw/zinc/41/22/32/492412232.db2.gz WINUTCNHSBKQOZ-DOTOQJQBSA-N 2 0 367.538 0.247 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1cccs1 ZINC000621837272 492420474 /nfs/dbraw/zinc/42/04/74/492420474.db2.gz DBNULDKRIARWEV-OGHNNQOOSA-N 2 0 350.488 0.807 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000621841530 492423964 /nfs/dbraw/zinc/42/39/64/492423964.db2.gz WKARSFILXKIQRV-MGPUTAFESA-N 2 0 371.485 0.502 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621844083 492424296 /nfs/dbraw/zinc/42/42/96/492424296.db2.gz OVIJUPADANVFBZ-OCQZMCQHSA-N 2 0 370.497 0.963 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccc(F)cc1 ZINC000621844554 492425249 /nfs/dbraw/zinc/42/52/49/492425249.db2.gz TUFOIDULIJCMHN-ZSZQSSIHSA-N 2 0 362.449 0.884 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000635335509 492436536 /nfs/dbraw/zinc/43/65/36/492436536.db2.gz ONDMOMOKXLOKKR-UHFFFAOYSA-N 2 0 353.507 0.916 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028515 492443409 /nfs/dbraw/zinc/44/34/09/492443409.db2.gz RHKKFJUWRCPXHN-QMTMVMCOSA-N 2 0 364.490 0.038 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655447839 492444320 /nfs/dbraw/zinc/44/43/20/492444320.db2.gz HBMZGKGGQPTARZ-FXAWDEMLSA-N 2 0 358.486 0.984 20 0 FCADRP Cn1cnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1=O ZINC000635457035 492451842 /nfs/dbraw/zinc/45/18/42/492451842.db2.gz ACJKVRUSHCMHRY-UHFFFAOYSA-N 2 0 356.430 0.117 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556361 492455836 /nfs/dbraw/zinc/45/58/36/492455836.db2.gz MADAKBSDRYUGQM-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C)CC[NH+]1C ZINC000648784815 492456442 /nfs/dbraw/zinc/45/64/42/492456442.db2.gz GICMYVGJBQQLSV-MZBWOGCUSA-N 2 0 350.507 0.726 20 0 FCADRP COC[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648785588 492456679 /nfs/dbraw/zinc/45/66/79/492456679.db2.gz TYHFQTBBHCKGIK-HLTONANMSA-N 2 0 368.522 0.304 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635498969 492458817 /nfs/dbraw/zinc/45/88/17/492458817.db2.gz NCWHCAAYCWPAAZ-UHFFFAOYSA-N 2 0 350.507 0.875 20 0 FCADRP CN(C)Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1Cl ZINC000628105939 492467098 /nfs/dbraw/zinc/46/70/98/492467098.db2.gz RFDYMNGMQHSMRS-AWEZNQCLSA-N 2 0 368.865 0.523 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000643478810 492475070 /nfs/dbraw/zinc/47/50/70/492475070.db2.gz HXRILQYHNVEJDL-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643478943 492475508 /nfs/dbraw/zinc/47/55/08/492475508.db2.gz TWKLPLCKYYGLGT-SFHVURJKSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C[C@H]1[NH3+] ZINC000643487031 492478847 /nfs/dbraw/zinc/47/88/47/492478847.db2.gz XYATZFYJOWPTEL-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643486900 492479070 /nfs/dbraw/zinc/47/90/70/492479070.db2.gz AELBNIBDPLTNEE-ZBFHGGJFSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643486898 492479173 /nfs/dbraw/zinc/47/91/73/492479173.db2.gz AELBNIBDPLTNEE-GOEBONIOSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643486973 492479186 /nfs/dbraw/zinc/47/91/86/492479186.db2.gz NJHZJUDEXRHHGA-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500568 492483737 /nfs/dbraw/zinc/48/37/37/492483737.db2.gz CDVDLVBYGGHLJP-XHSDSOJGSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000643505653 492484794 /nfs/dbraw/zinc/48/47/94/492484794.db2.gz OGRBNRBNVUWYHP-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643524406 492490307 /nfs/dbraw/zinc/49/03/07/492490307.db2.gz WJQCYCKAZYXXSK-GDBMZVCRSA-N 2 0 364.515 0.849 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000643524376 492490341 /nfs/dbraw/zinc/49/03/41/492490341.db2.gz NUJNSKPPKYSXJC-GOEBONIOSA-N 2 0 350.463 0.756 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531753 492491393 /nfs/dbraw/zinc/49/13/93/492491393.db2.gz GHAMHPKMZARPDJ-MSOLQXFVSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643531934 492492525 /nfs/dbraw/zinc/49/25/25/492492525.db2.gz ZYBAUCINYZKGAU-KSZLIROESA-N 2 0 356.470 0.397 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643549770 492496796 /nfs/dbraw/zinc/49/67/96/492496796.db2.gz NVZNFQVKQVMFQZ-JOCBIADPSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000643553513 492498380 /nfs/dbraw/zinc/49/83/80/492498380.db2.gz DQSMCIANJUCYPH-QGZVFWFLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635731930 492498487 /nfs/dbraw/zinc/49/84/87/492498487.db2.gz SSCPFKXCDGLQTD-KRWDZBQOSA-N 2 0 360.502 0.734 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C2)C1 ZINC000643593933 492503688 /nfs/dbraw/zinc/50/36/88/492503688.db2.gz JOJPSHCUVKZJEV-QKLQHJQFSA-N 2 0 374.460 0.633 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649272211 492516268 /nfs/dbraw/zinc/51/62/68/492516268.db2.gz ZFATZCODDLKXOO-UHFFFAOYSA-N 2 0 373.545 0.871 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](c2ccccc2)C1 ZINC000628585097 492525590 /nfs/dbraw/zinc/52/55/90/492525590.db2.gz OETXSJXIVSDLGZ-SQNIBIBYSA-N 2 0 358.486 0.788 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000649311548 492528455 /nfs/dbraw/zinc/52/84/55/492528455.db2.gz YWJXXIQFKCFSRH-HNNXBMFYSA-N 2 0 368.428 0.839 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649327693 492535325 /nfs/dbraw/zinc/53/53/25/492535325.db2.gz FCCYGUVZYZHLCB-OAHLLOKOSA-N 2 0 368.428 0.839 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649328319 492535740 /nfs/dbraw/zinc/53/57/40/492535740.db2.gz OLPQRTDVLOPICR-PIIMJCKOSA-N 2 0 356.470 0.594 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000649410377 492550754 /nfs/dbraw/zinc/55/07/54/492550754.db2.gz ZAVQONMOBDQDFT-VQIMIIECSA-N 2 0 360.502 0.947 20 0 FCADRP COCCCNC(=O)[C@H](C)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649412405 492552612 /nfs/dbraw/zinc/55/26/12/492552612.db2.gz IPJIJVSMNJYMIJ-KRWDZBQOSA-N 2 0 354.539 0.925 20 0 FCADRP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000649473996 492556726 /nfs/dbraw/zinc/55/67/26/492556726.db2.gz ZUBKQEIXJHFCJQ-GVDBMIGSSA-N 2 0 368.522 0.329 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000636155868 492557514 /nfs/dbraw/zinc/55/75/14/492557514.db2.gz CWVRIKNRSFCIFU-MSOLQXFVSA-N 2 0 351.491 0.857 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656304820 492579620 /nfs/dbraw/zinc/57/96/20/492579620.db2.gz ICBUIHUEHIDMTE-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000656308595 492581775 /nfs/dbraw/zinc/58/17/75/492581775.db2.gz GACQJGJAHLUIGO-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174950 492584043 /nfs/dbraw/zinc/58/40/43/492584043.db2.gz PPMYOXWRXSNVHD-LJQANCHMSA-N 2 0 360.502 0.772 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636519336 492606967 /nfs/dbraw/zinc/60/69/67/492606967.db2.gz PDGZNOOKTAJZDD-JYJNAYRXSA-N 2 0 369.510 0.125 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000636522785 492609482 /nfs/dbraw/zinc/60/94/82/492609482.db2.gz NGMFGSKOJZKQJM-IAGOWNOFSA-N 2 0 356.511 0.489 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357860 492611767 /nfs/dbraw/zinc/61/17/67/492611767.db2.gz HHYYHMDMDJZIJY-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636636427 492644971 /nfs/dbraw/zinc/64/49/71/492644971.db2.gz RBBXZGUPIXBGFQ-NCOADZHNSA-N 2 0 367.538 0.992 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668685 492654949 /nfs/dbraw/zinc/65/49/49/492654949.db2.gz PLZSUIBKSAORCY-NVXWUHKLSA-N 2 0 369.469 0.921 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162148 492656160 /nfs/dbraw/zinc/65/61/60/492656160.db2.gz BFNBZXVWGIABJX-IEBWSBKVSA-N 2 0 365.522 0.130 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000629792624 492673609 /nfs/dbraw/zinc/67/36/09/492673609.db2.gz WAKKIBKYDLFXKL-KRWDZBQOSA-N 2 0 361.490 0.702 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629793567 492674469 /nfs/dbraw/zinc/67/44/69/492674469.db2.gz FZBVCSZFLHYFCX-CHWSQXEVSA-N 2 0 364.412 0.526 20 0 FCADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC(=O)N1 ZINC000624951716 492701723 /nfs/dbraw/zinc/70/17/23/492701723.db2.gz OIRPIMZZRUJHIP-DOTOQJQBSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC000629974048 492709609 /nfs/dbraw/zinc/70/96/09/492709609.db2.gz KLAUFDQCEGWNEA-SFHVURJKSA-N 2 0 360.502 0.876 20 0 FCADRP CC(=O)NCC(C)(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000651212666 492723180 /nfs/dbraw/zinc/72/31/80/492723180.db2.gz VFGDXHFPZJGXBR-UHFFFAOYSA-N 2 0 361.490 0.872 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000636939821 492733222 /nfs/dbraw/zinc/73/32/22/492733222.db2.gz GRYRZYGFQCFATK-GVDBMIGSSA-N 2 0 354.495 0.120 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)CN1CC[NH+](C)CC1 ZINC000631063003 492795831 /nfs/dbraw/zinc/79/58/31/492795831.db2.gz DPJMCMBGCGKQIV-ZDUSSCGKSA-N 2 0 374.938 0.961 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196437 492803467 /nfs/dbraw/zinc/80/34/67/492803467.db2.gz RPXUIEHEXGQRCU-RDJZCZTQSA-N 2 0 356.470 0.942 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000637290531 492806844 /nfs/dbraw/zinc/80/68/44/492806844.db2.gz NUUVZMMSMJTLPP-KRWDZBQOSA-N 2 0 365.522 0.747 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873549 492807565 /nfs/dbraw/zinc/80/75/65/492807565.db2.gz KIZAPDSKVMZZBA-LJQANCHMSA-N 2 0 357.458 0.284 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000637376184 492816328 /nfs/dbraw/zinc/81/63/28/492816328.db2.gz DXYJIXBRHMFGNS-CVEARBPZSA-N 2 0 351.495 0.454 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375718 492816359 /nfs/dbraw/zinc/81/63/59/492816359.db2.gz QGDGQHDXHMEYGK-OAGGEKHMSA-N 2 0 351.495 0.452 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000644910528 492823787 /nfs/dbraw/zinc/82/37/87/492823787.db2.gz WTMBLWLHECFMLI-DOTOQJQBSA-N 2 0 357.458 0.283 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000631562419 492824586 /nfs/dbraw/zinc/82/45/86/492824586.db2.gz DQYVNVQLNFKVPD-HXUWFJFHSA-N 2 0 371.485 0.812 20 0 FCADRP C[NH+](C)Cc1ccccc1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631678337 492834329 /nfs/dbraw/zinc/83/43/29/492834329.db2.gz PBYZKGBVKOOYCS-UHFFFAOYSA-N 2 0 368.547 0.805 20 0 FCADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000631749104 492846828 /nfs/dbraw/zinc/84/68/28/492846828.db2.gz NNGTWCCHYIHNRH-IRXDYDNUSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631857020 492864710 /nfs/dbraw/zinc/86/47/10/492864710.db2.gz CJKQIECRYXFMQW-IRXDYDNUSA-N 2 0 360.568 0.758 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813151 492869526 /nfs/dbraw/zinc/86/95/26/492869526.db2.gz LABICJDOEACBLL-SFHVURJKSA-N 2 0 370.497 0.545 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637815369 492869743 /nfs/dbraw/zinc/86/97/43/492869743.db2.gz UCRIEEGZVAMHLD-INIZCTEOSA-N 2 0 366.506 0.015 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000637819851 492870643 /nfs/dbraw/zinc/87/06/43/492870643.db2.gz RQTVOQPUZYCZGX-QZTJIDSGSA-N 2 0 358.486 0.822 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000631909030 492875589 /nfs/dbraw/zinc/87/55/89/492875589.db2.gz MYTJQFMJDWSREO-UHFFFAOYSA-N 3 0 363.572 0.120 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000652153908 492888282 /nfs/dbraw/zinc/88/82/82/492888282.db2.gz RQNFFEZPIUYISZ-QGZVFWFLSA-N 2 0 353.511 0.082 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637982039 492888365 /nfs/dbraw/zinc/88/83/65/492888365.db2.gz OVDIDFVRJMMPKY-UHFFFAOYSA-N 2 0 368.503 0.224 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000652153583 492888450 /nfs/dbraw/zinc/88/84/50/492888450.db2.gz MUCKEEDZXPWXCX-SCTDSRPQSA-N 2 0 365.522 0.163 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631930999 492890459 /nfs/dbraw/zinc/89/04/59/492890459.db2.gz DBTJFSVBMHMPRI-HNNXBMFYSA-N 2 0 360.524 0.122 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCCN3CC[NH2+]CC3)C2)C1 ZINC000652200924 492894914 /nfs/dbraw/zinc/89/49/14/492894914.db2.gz OEOOJTDAPOSVKC-BRWVUGGUSA-N 2 0 353.511 0.210 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652270172 492902973 /nfs/dbraw/zinc/90/29/73/492902973.db2.gz XUXJZMPWRIYYRI-AWEZNQCLSA-N 2 0 351.426 0.281 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000638091236 492903770 /nfs/dbraw/zinc/90/37/70/492903770.db2.gz RSBPFLBKBLZDCN-MJQMVNBJSA-N 2 0 352.523 0.770 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000638099278 492904982 /nfs/dbraw/zinc/90/49/82/492904982.db2.gz RUUKBTMLIIMKEP-UHFFFAOYSA-N 2 0 370.497 0.641 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652289853 492907510 /nfs/dbraw/zinc/90/75/10/492907510.db2.gz HYHLKOBNBYVNSV-UHFFFAOYSA-N 2 0 350.467 0.328 20 0 FCADRP [NH3+]Cc1ncc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000638135179 492913804 /nfs/dbraw/zinc/91/38/04/492913804.db2.gz RJKPKOCKVQAIJL-UHFFFAOYSA-N 2 0 354.458 0.483 20 0 FCADRP O=C(CN1CC[NH2+]CC1)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638137815 492915977 /nfs/dbraw/zinc/91/59/77/492915977.db2.gz OPOBDXXQRZAJSB-UHFFFAOYSA-N 2 0 373.545 0.606 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)c2ccccc2)CC1 ZINC000638138220 492916177 /nfs/dbraw/zinc/91/61/77/492916177.db2.gz YGHYDJAWUOWEMY-QGZVFWFLSA-N 2 0 354.458 0.654 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140137 492917770 /nfs/dbraw/zinc/91/77/70/492917770.db2.gz VNSKBBHOKVLLKT-PKOBYXMFSA-N 2 0 360.502 0.803 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@H]3C[NH2+]CCCO3)cc21 ZINC000638264269 492925583 /nfs/dbraw/zinc/92/55/83/492925583.db2.gz FTFRWQDOPKDKMB-CQSZACIVSA-N 2 0 361.446 0.412 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000652424419 492927957 /nfs/dbraw/zinc/92/79/57/492927957.db2.gz LZNCJZFXIWBRNI-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000632112070 492931906 /nfs/dbraw/zinc/93/19/06/492931906.db2.gz MJUNZWANPNSURS-IAGOWNOFSA-N 2 0 358.552 0.370 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638347129 492938590 /nfs/dbraw/zinc/93/85/90/492938590.db2.gz LMYVVXFHJWIWRC-MJGOQNOKSA-N 3 0 360.502 0.863 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000638439016 492947269 /nfs/dbraw/zinc/94/72/69/492947269.db2.gz GKFQMCAIAWBDKR-HNNXBMFYSA-N 2 0 360.506 0.867 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652479660 492947670 /nfs/dbraw/zinc/94/76/70/492947670.db2.gz SRMNCTWPLHIFKC-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486867 492955281 /nfs/dbraw/zinc/95/52/81/492955281.db2.gz YJVXIZQCEVWOKU-KRWDZBQOSA-N 2 0 357.458 0.390 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632245118 492956900 /nfs/dbraw/zinc/95/69/00/492956900.db2.gz ULANBTJSXPGMJJ-GOSISDBHSA-N 2 0 369.531 0.837 20 0 FCADRP CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638558236 492960297 /nfs/dbraw/zinc/96/02/97/492960297.db2.gz WEMJBJYCQIYXLW-RYUDHWBXSA-N 2 0 352.401 0.429 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638837084 492981427 /nfs/dbraw/zinc/98/14/27/492981427.db2.gz XVCMZHSBKAHPPQ-BPQIPLTHSA-N 2 0 358.486 0.739 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1=O ZINC000638855928 492982686 /nfs/dbraw/zinc/98/26/86/492982686.db2.gz IRCKCXBHBGVILH-WFASDCNBSA-N 2 0 362.396 0.340 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)C1=O ZINC000638856676 492982725 /nfs/dbraw/zinc/98/27/25/492982725.db2.gz QZLZCNIRFTZYHK-MSOLQXFVSA-N 2 0 356.470 0.685 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC000638855557 492982916 /nfs/dbraw/zinc/98/29/16/492982916.db2.gz DSLHVMCFASRSBF-SJLPKXTDSA-N 2 0 358.486 0.758 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000652679050 492987378 /nfs/dbraw/zinc/98/73/78/492987378.db2.gz VZFQQDHHKFKXOK-UHFFFAOYSA-N 2 0 373.501 0.668 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941211 492990073 /nfs/dbraw/zinc/99/00/73/492990073.db2.gz UGJWTDLAOKVIEH-TZIWHRDSSA-N 2 0 372.513 0.393 20 0 FCADRP C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CS2 ZINC000638987098 492990136 /nfs/dbraw/zinc/99/01/36/492990136.db2.gz KUQFXDNOGLIGAA-DYVFJYSZSA-N 2 0 361.471 0.884 20 0 FCADRP CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987791 492990759 /nfs/dbraw/zinc/99/07/59/492990759.db2.gz JIJKSPUWEYGRBV-CQSZACIVSA-N 2 0 367.475 0.244 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708287 492996499 /nfs/dbraw/zinc/99/64/99/492996499.db2.gz PQWSNQCJGMJDGY-NVXWUHKLSA-N 2 0 368.522 0.722 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708289 492996621 /nfs/dbraw/zinc/99/66/21/492996621.db2.gz PQWSNQCJGMJDGY-WBVHZDCISA-N 2 0 368.522 0.722 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002957 492999243 /nfs/dbraw/zinc/99/92/43/492999243.db2.gz LIIJMLYXPICOHG-FRQCXROJSA-N 2 0 352.523 0.757 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009498 493000072 /nfs/dbraw/zinc/00/00/72/493000072.db2.gz NOAQXBIUCOLYGA-ROUUACIJSA-N 2 0 352.523 0.807 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646009438 493000453 /nfs/dbraw/zinc/00/04/53/493000453.db2.gz KBNMUTVHXFPYRH-IEBWSBKVSA-N 2 0 358.486 0.396 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009543 493000820 /nfs/dbraw/zinc/00/08/20/493000820.db2.gz QOWCFIMTMGKDQR-GPMSIDNRSA-N 2 0 368.522 0.042 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009541 493001181 /nfs/dbraw/zinc/00/11/81/493001181.db2.gz QOWCFIMTMGKDQR-FCEWJHQRSA-N 2 0 368.522 0.042 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652728835 493006949 /nfs/dbraw/zinc/00/69/49/493006949.db2.gz CNMFAEVLPBYYHN-YLFCFFPRSA-N 2 0 366.506 0.284 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652731005 493009297 /nfs/dbraw/zinc/00/92/97/493009297.db2.gz YWIMYFPCWXJXCT-ZOBUZTSGSA-N 2 0 366.506 0.284 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652733950 493011574 /nfs/dbraw/zinc/01/15/74/493011574.db2.gz VDPAMBOAJIFWIF-YVSFHVDLSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCO1 ZINC000658712395 493023095 /nfs/dbraw/zinc/02/30/95/493023095.db2.gz VHPFEHZGEAWSQG-BRWVUGGUSA-N 2 0 366.506 0.108 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000626971446 493072168 /nfs/dbraw/zinc/07/21/68/493072168.db2.gz IBXYMNBDEFFXQL-HNNXBMFYSA-N 2 0 354.495 0.698 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115086 493072790 /nfs/dbraw/zinc/07/27/90/493072790.db2.gz CBHFQZBVPFIANI-RDJZCZTQSA-N 2 0 361.490 0.601 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@H](N)CC[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000653124857 493075709 /nfs/dbraw/zinc/07/57/09/493075709.db2.gz JHFZNYTYBRUBPD-MOPGFXCFSA-N 2 0 361.534 0.760 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194662 493082481 /nfs/dbraw/zinc/08/24/81/493082481.db2.gz SAYFUSSZMFOUEO-LJCCNALRSA-N 2 0 362.518 0.907 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1=O ZINC000653261431 493087553 /nfs/dbraw/zinc/08/75/53/493087553.db2.gz RJZJRDMXIQOSJG-YYIAUSFCSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000627113845 493089867 /nfs/dbraw/zinc/08/98/67/493089867.db2.gz NZRNOHRWKMLBCA-KZNAEPCWSA-N 2 0 369.473 0.757 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000632961936 493098250 /nfs/dbraw/zinc/09/82/50/493098250.db2.gz WTOUDNJLQWKLPM-QGZVFWFLSA-N 2 0 361.494 0.661 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653372329 493105218 /nfs/dbraw/zinc/10/52/18/493105218.db2.gz GVFHMHRGSYXEEM-KRWDZBQOSA-N 2 0 356.536 0.484 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000633027128 493105350 /nfs/dbraw/zinc/10/53/50/493105350.db2.gz CEWBICDCHGYJRE-ROUUACIJSA-N 2 0 371.485 0.335 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000633040447 493108724 /nfs/dbraw/zinc/10/87/24/493108724.db2.gz XMQBCTHSIDJFSU-RDJZCZTQSA-N 2 0 373.501 0.711 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000627233592 493113727 /nfs/dbraw/zinc/11/37/27/493113727.db2.gz BSWUOAHRAAADQI-NVXWUHKLSA-N 2 0 361.494 0.734 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000627234744 493114461 /nfs/dbraw/zinc/11/44/61/493114461.db2.gz KPTZMVWOXNLGSI-YQQAZPJKSA-N 2 0 361.494 0.734 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633092812 493122707 /nfs/dbraw/zinc/12/27/07/493122707.db2.gz CHJHDLJQEJMXPA-OKILXGFUSA-N 2 0 350.488 0.601 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633150501 493136386 /nfs/dbraw/zinc/13/63/86/493136386.db2.gz YTQFPXRSLYRYPV-WBVHZDCISA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627295314 493138201 /nfs/dbraw/zinc/13/82/01/493138201.db2.gz ZWFPPLHVOGWLNB-YNEHKIRRSA-N 2 0 366.428 0.819 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627295349 493138259 /nfs/dbraw/zinc/13/82/59/493138259.db2.gz ANIDMTXUBLYXGR-OAHLLOKOSA-N 2 0 356.511 0.437 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000627305009 493143247 /nfs/dbraw/zinc/14/32/47/493143247.db2.gz LJDYWHOHZBYVRZ-XQHKEYJVSA-N 2 0 364.412 0.571 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@H]5CC[N@@H+](C)[C@H]5C4)o3)C[C@H]21 ZINC000633316764 493145179 /nfs/dbraw/zinc/14/51/79/493145179.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 2 0 372.469 0.832 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627318785 493149700 /nfs/dbraw/zinc/14/97/00/493149700.db2.gz AGLBDWDIYBLTRP-PWSUYJOCSA-N 2 0 350.385 0.183 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659095308 493149766 /nfs/dbraw/zinc/14/97/66/493149766.db2.gz BOURKCSBZIYYTA-KBPBESRZSA-N 2 0 359.474 0.825 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659095310 493150261 /nfs/dbraw/zinc/15/02/61/493150261.db2.gz BOURKCSBZIYYTA-UONOGXRCSA-N 2 0 359.474 0.825 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000627329037 493156421 /nfs/dbraw/zinc/15/64/21/493156421.db2.gz XVPUCVNHIUKIRB-NCXUSEDFSA-N 2 0 370.497 0.881 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627334536 493159000 /nfs/dbraw/zinc/15/90/00/493159000.db2.gz TXCQWWLGHSFDBO-ZBFHGGJFSA-N 2 0 352.479 0.004 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627345997 493166580 /nfs/dbraw/zinc/16/65/80/493166580.db2.gz BHQMGUHQOHLOSQ-STQMWFEESA-N 2 0 366.428 0.820 20 0 FCADRP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000659446932 493180663 /nfs/dbraw/zinc/18/06/63/493180663.db2.gz VTXDVJOOTTVQBW-ZDUSSCGKSA-N 2 0 370.457 0.887 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000627368536 493182712 /nfs/dbraw/zinc/18/27/12/493182712.db2.gz XHUKAWUNKXHERU-GUTXKFCHSA-N 2 0 350.488 0.725 20 0 FCADRP COCC[C@H]([NH3+])Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230806 493184747 /nfs/dbraw/zinc/18/47/47/493184747.db2.gz UUAYYTMIGFGBQA-PKOBYXMFSA-N 2 0 359.474 0.821 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647255098 493185074 /nfs/dbraw/zinc/18/50/74/493185074.db2.gz DQOAPOUYZYSMTF-OAHLLOKOSA-N 2 0 357.524 0.680 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627379301 493187721 /nfs/dbraw/zinc/18/77/21/493187721.db2.gz IDECJSAUNRWBPC-KBAYOESNSA-N 2 0 374.485 0.260 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000659318626 493190689 /nfs/dbraw/zinc/19/06/89/493190689.db2.gz TVGRADGYLOJZQN-INIZCTEOSA-N 2 0 366.462 0.131 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000627390796 493198971 /nfs/dbraw/zinc/19/89/71/493198971.db2.gz YBJIRVYREADWKQ-UHFFFAOYSA-N 2 0 362.474 0.201 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000672562121 493206563 /nfs/dbraw/zinc/20/65/63/493206563.db2.gz RWICYXQSTQHECX-UHFFFAOYSA-N 2 0 363.506 0.427 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000659548965 493211662 /nfs/dbraw/zinc/21/16/62/493211662.db2.gz JPUHURGGTWNFJT-QZTJIDSGSA-N 2 0 362.474 0.431 20 0 FCADRP CN1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000659566338 493213466 /nfs/dbraw/zinc/21/34/66/493213466.db2.gz JPXVJAANTFTGSD-SFHVURJKSA-N 2 0 360.506 0.578 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000659578008 493215742 /nfs/dbraw/zinc/21/57/42/493215742.db2.gz QCSHVCDUYREWRR-CABCVRRESA-N 2 0 351.495 0.548 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659576418 493216193 /nfs/dbraw/zinc/21/61/93/493216193.db2.gz HRESZPMMERKJFN-IPMKNSEASA-N 2 0 357.502 0.821 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659584796 493216621 /nfs/dbraw/zinc/21/66/21/493216621.db2.gz MLJDKOMZIYCPPW-JFIYKMOQSA-N 2 0 352.454 0.883 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000659582020 493216821 /nfs/dbraw/zinc/21/68/21/493216821.db2.gz ZRXNUNJKGLZQLX-XJKCOSOUSA-N 2 0 354.401 0.779 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659611982 493221127 /nfs/dbraw/zinc/22/11/27/493221127.db2.gz UVMIHAGXESCJQO-YESZJQIVSA-N 2 0 365.522 0.761 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659619387 493221988 /nfs/dbraw/zinc/22/19/88/493221988.db2.gz XDNVVMQUKOJMJR-TVRKMHQQSA-N 2 0 365.522 0.175 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643174 493228312 /nfs/dbraw/zinc/22/83/12/493228312.db2.gz SKPMTMMECJKLMM-INIZCTEOSA-N 2 0 367.538 0.070 20 0 FCADRP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687579 493232984 /nfs/dbraw/zinc/23/29/84/493232984.db2.gz XQARDSUDWNTWDP-ZBFHGGJFSA-N 2 0 350.467 0.772 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@H]2C1 ZINC000666961377 493242228 /nfs/dbraw/zinc/24/22/28/493242228.db2.gz MPCHEMPHPFJUGW-WBMJQRKESA-N 2 0 360.433 0.963 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@@H]2C1 ZINC000666961375 493242471 /nfs/dbraw/zinc/24/24/71/493242471.db2.gz MPCHEMPHPFJUGW-MLGOLLRUSA-N 2 0 360.433 0.963 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666972581 493243343 /nfs/dbraw/zinc/24/33/43/493243343.db2.gz BHXGYGQCQAHVJC-KRWDZBQOSA-N 2 0 368.522 0.992 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000666976183 493244112 /nfs/dbraw/zinc/24/41/12/493244112.db2.gz DBASDCOEOXZKAB-ZOBUZTSGSA-N 2 0 354.495 0.336 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666975134 493244318 /nfs/dbraw/zinc/24/43/18/493244318.db2.gz IRRWNNMNWHVKTK-KRWDZBQOSA-N 2 0 368.522 0.774 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000659674463 493244768 /nfs/dbraw/zinc/24/47/68/493244768.db2.gz SXTPXTNCVYXYFG-GXTWGEPZSA-N 2 0 366.462 0.147 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659674569 493245449 /nfs/dbraw/zinc/24/54/49/493245449.db2.gz NAYGIYJDEYMWRV-WMLDXEAASA-N 2 0 362.474 0.672 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000672881406 493262373 /nfs/dbraw/zinc/26/23/73/493262373.db2.gz QRULKESZJFCDQF-INIZCTEOSA-N 2 0 368.522 0.585 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704038 493263233 /nfs/dbraw/zinc/26/32/33/493263233.db2.gz HUTHKBDBLNXWNV-MSOLQXFVSA-N 2 0 362.518 0.825 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659703988 493263670 /nfs/dbraw/zinc/26/36/70/493263670.db2.gz IJABBRMXWSSYPO-RDJZCZTQSA-N 2 0 362.518 0.825 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705938 493264421 /nfs/dbraw/zinc/26/44/21/493264421.db2.gz AATABYQLWQPMLW-DLBZAZTESA-N 2 0 366.506 0.062 20 0 FCADRP CC1(C)C[NH+](CCCC[N@@H+]2CCN(CCO)C(C)(C)C2)CCN1CCO ZINC000682033906 493265174 /nfs/dbraw/zinc/26/51/74/493265174.db2.gz ADLBXUFALBRYCI-UHFFFAOYSA-N 2 0 370.582 0.544 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659726878 493274364 /nfs/dbraw/zinc/27/43/64/493274364.db2.gz CEMDQEWUJZJCJL-SFHVURJKSA-N 2 0 373.501 0.478 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727164 493274460 /nfs/dbraw/zinc/27/44/60/493274460.db2.gz HSAHQAYDANFZJZ-ZWKOTPCHSA-N 2 0 373.501 0.653 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000641668798 493275081 /nfs/dbraw/zinc/27/50/81/493275081.db2.gz DJGCNMSXSGSXDW-FUHWJXTLSA-N 2 0 350.507 0.526 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000667363245 493278693 /nfs/dbraw/zinc/27/86/93/493278693.db2.gz JNYJEDCJRBEYPA-UHFFFAOYSA-N 2 0 364.494 0.812 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739459 493280390 /nfs/dbraw/zinc/28/03/90/493280390.db2.gz USXHPLIXALAZLC-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659739086 493280625 /nfs/dbraw/zinc/28/06/25/493280625.db2.gz MYCPZGCOMSHRIF-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000659750073 493285251 /nfs/dbraw/zinc/28/52/51/493285251.db2.gz MDUAQRXYBNKZKY-KRWDZBQOSA-N 2 0 360.502 0.878 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750509 493286223 /nfs/dbraw/zinc/28/62/23/493286223.db2.gz CLUSSCMWCJUTGV-DOTOQJQBSA-N 2 0 361.490 0.619 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000667559129 493289712 /nfs/dbraw/zinc/28/97/12/493289712.db2.gz CNIWUVWGKSAMNR-CYBMUJFWSA-N 2 0 350.488 0.680 20 0 FCADRP C[C@@H](C(=O)NCCN(CCC(F)(F)F)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000682943661 493327698 /nfs/dbraw/zinc/32/76/98/493327698.db2.gz NQQMBJFQBWBHMI-RYUDHWBXSA-N 2 0 354.417 0.784 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668546262 493374158 /nfs/dbraw/zinc/37/41/58/493374158.db2.gz WVYNFSVZBIRKIN-QZTJIDSGSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000683880050 493376228 /nfs/dbraw/zinc/37/62/28/493376228.db2.gz PPOYFHPPNHZQJQ-GASCZTMLSA-N 2 0 365.499 0.656 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)c1cc(C(=O)N[C@H](C)CC[NH+](C)C)[nH]n1 ZINC000668693921 493398931 /nfs/dbraw/zinc/39/89/31/493398931.db2.gz YBFBJYVZPIOQMI-CHWSQXEVSA-N 2 0 352.483 0.550 20 0 FCADRP COC[C@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000661227075 493419466 /nfs/dbraw/zinc/41/94/66/493419466.db2.gz DEZKNFMTKPOSRS-MRXNPFEDSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000661333528 493428438 /nfs/dbraw/zinc/42/84/38/493428438.db2.gz NGQPLEAHZRSZTP-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000661333520 493428670 /nfs/dbraw/zinc/42/86/70/493428670.db2.gz NGQPLEAHZRSZTP-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661508789 493443733 /nfs/dbraw/zinc/44/37/33/493443733.db2.gz QHLNOAQMZQEIAI-MRXNPFEDSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685336637 493477145 /nfs/dbraw/zinc/47/71/45/493477145.db2.gz JRCOZPUFRNDLKC-UAGQMJEPSA-N 2 0 366.506 0.012 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000669251727 493483631 /nfs/dbraw/zinc/48/36/31/493483631.db2.gz YOKNOJRFVCUPDP-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662290900 493503875 /nfs/dbraw/zinc/50/38/75/493503875.db2.gz MRTFUWGHAHQTKH-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1ccc([C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000669442186 493504349 /nfs/dbraw/zinc/50/43/49/493504349.db2.gz OTTILEXFDGJZOK-HNNXBMFYSA-N 2 0 363.462 0.456 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@H](C)C1 ZINC000669486290 493506779 /nfs/dbraw/zinc/50/67/79/493506779.db2.gz SXALZXAHDGFCPU-NCOADZHNSA-N 2 0 356.511 0.881 20 0 FCADRP COc1ccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCCC2)cc1 ZINC000662344326 493508523 /nfs/dbraw/zinc/50/85/23/493508523.db2.gz XZCZHPSKHILNKU-KRWDZBQOSA-N 2 0 358.446 0.812 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000662365850 493509878 /nfs/dbraw/zinc/50/98/78/493509878.db2.gz YGSKETLJRLFGCW-ZDUSSCGKSA-N 2 0 355.446 0.886 20 0 FCADRP CCOC1CC(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)(N2CCOCC2)C1 ZINC000669571505 493511548 /nfs/dbraw/zinc/51/15/48/493511548.db2.gz VICNQERKXLQKFC-RSIVFMTNSA-N 2 0 354.495 0.825 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1)Cc1ccccc1 ZINC000662446268 493515771 /nfs/dbraw/zinc/51/57/71/493515771.db2.gz VFFJNDNXZCLLHL-UHFFFAOYSA-N 2 0 371.489 0.127 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)C1 ZINC000662463150 493517681 /nfs/dbraw/zinc/51/76/81/493517681.db2.gz VFRUBMBLCWLPBU-MRXNPFEDSA-N 2 0 361.490 0.994 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662561596 493526228 /nfs/dbraw/zinc/52/62/28/493526228.db2.gz SIDMIDUJYJYBOF-JQWIXIFHSA-N 2 0 360.384 0.053 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638716 493529303 /nfs/dbraw/zinc/52/93/03/493529303.db2.gz VLDQDXYQQNYWFK-QGZVFWFLSA-N 2 0 359.474 0.278 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1OC ZINC000662676847 493531609 /nfs/dbraw/zinc/53/16/09/493531609.db2.gz OKPXPBGZYFSSCD-UHFFFAOYSA-N 2 0 351.447 0.366 20 0 FCADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662724675 493535467 /nfs/dbraw/zinc/53/54/67/493535467.db2.gz SGVWLGBULJCPDD-ZWKOTPCHSA-N 2 0 374.485 0.492 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662751978 493538164 /nfs/dbraw/zinc/53/81/64/493538164.db2.gz NNCDKEUSUIQRQQ-GJZGRUSLSA-N 2 0 354.495 0.093 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662760551 493539982 /nfs/dbraw/zinc/53/99/82/493539982.db2.gz ZYENFQZOXZHBJO-INIZCTEOSA-N 2 0 371.407 0.992 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000662867648 493548287 /nfs/dbraw/zinc/54/82/87/493548287.db2.gz HQEWOXVEBWRJRT-ULQDDVLXSA-N 2 0 362.449 0.646 20 0 FCADRP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901108 493550122 /nfs/dbraw/zinc/55/01/22/493550122.db2.gz SPYADMCEWNCIRB-HOCLYGCPSA-N 2 0 360.506 0.727 20 0 FCADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016684 493566812 /nfs/dbraw/zinc/56/68/12/493566812.db2.gz DTJRFNBWKLDTRK-VXGBXAGGSA-N 2 0 356.421 0.508 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020028 493567092 /nfs/dbraw/zinc/56/70/92/493567092.db2.gz VNAPXKLOMRJVSU-OAGGEKHMSA-N 2 0 360.506 0.913 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000670545910 493579447 /nfs/dbraw/zinc/57/94/47/493579447.db2.gz SJAXEHNQBSGLSD-SFHVURJKSA-N 2 0 358.486 0.930 20 0 FCADRP COc1cccc(F)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000663375165 493586130 /nfs/dbraw/zinc/58/61/30/493586130.db2.gz CJQHMOCGBUERAU-UHFFFAOYSA-N 2 0 354.426 0.725 20 0 FCADRP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000677152685 493586822 /nfs/dbraw/zinc/58/68/22/493586822.db2.gz ITKOPZUUNGSACL-GASCZTMLSA-N 2 0 362.526 0.396 20 0 FCADRP c1nc2nc(=N[C@H]3CC[NH+](C4CC4)C3)cc(N[C@@H]3CC[N@@H+](C4CC4)C3)n2[nH]1 ZINC000663425499 493588408 /nfs/dbraw/zinc/58/84/08/493588408.db2.gz RCSQGAKTBDACFN-UONOGXRCSA-N 2 0 368.489 0.843 20 0 FCADRP CCOc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)nn1 ZINC000663506673 493593130 /nfs/dbraw/zinc/59/31/30/493593130.db2.gz NNJDETCYXYEGGB-HNNXBMFYSA-N 2 0 362.478 0.195 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663553443 493596892 /nfs/dbraw/zinc/59/68/92/493596892.db2.gz QGPQFPLZHYPLIE-UHFFFAOYSA-N 2 0 355.527 0.768 20 0 FCADRP O=C1CCCN1[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738080 493614555 /nfs/dbraw/zinc/61/45/55/493614555.db2.gz BOPJTSRWCKDXRB-OEHAVNEVSA-N 2 0 360.502 0.936 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000671070929 493629158 /nfs/dbraw/zinc/62/91/58/493629158.db2.gz SHFPSLNYIIFCKZ-RHSMWYFYSA-N 2 0 354.520 0.140 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071270 493629338 /nfs/dbraw/zinc/62/93/38/493629338.db2.gz SLJYFOODRRUUFM-ZQIUZPCESA-N 2 0 354.520 0.283 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000671071992 493630009 /nfs/dbraw/zinc/63/00/09/493630009.db2.gz YUWLRCCVWDGRRY-QGZVFWFLSA-N 2 0 356.536 0.388 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091185 493631379 /nfs/dbraw/zinc/63/13/79/493631379.db2.gz VHOXTNQPGSRLRY-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671104819 493635008 /nfs/dbraw/zinc/63/50/08/493635008.db2.gz RUYKYQBLKRWVDC-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671365614 493660919 /nfs/dbraw/zinc/66/09/19/493660919.db2.gz IVUDAKMYWYURDF-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]1CN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C)CO1 ZINC000664473005 493661893 /nfs/dbraw/zinc/66/18/93/493661893.db2.gz JHCWUKGQGPBSFG-JOCBIADPSA-N 2 0 368.522 0.773 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000671404257 493666220 /nfs/dbraw/zinc/66/62/20/493666220.db2.gz CYKIYWBQDVTJDK-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCCCC1 ZINC000664643749 493674877 /nfs/dbraw/zinc/67/48/77/493674877.db2.gz XAJOSLQUKAZDQL-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664646982 493675121 /nfs/dbraw/zinc/67/51/21/493675121.db2.gz JUFULZTUJWSMIL-KRWDZBQOSA-N 2 0 356.511 0.897 20 0 FCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236407 493706430 /nfs/dbraw/zinc/70/64/30/493706430.db2.gz LWOYKRWCKRMBQG-WCFLWFBJSA-N 2 0 371.279 0.916 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000671815790 493707002 /nfs/dbraw/zinc/70/70/02/493707002.db2.gz FUITYWSEJRQACI-HDMKZQKVSA-N 2 0 360.502 0.815 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000671849292 493708570 /nfs/dbraw/zinc/70/85/70/493708570.db2.gz UBPNSHRHXRJNEH-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010237 493723932 /nfs/dbraw/zinc/72/39/32/493723932.db2.gz MPARPUBOLJUKLX-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672011574 493724570 /nfs/dbraw/zinc/72/45/70/493724570.db2.gz JXPRYMMCWRTKIQ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013573 493725060 /nfs/dbraw/zinc/72/50/60/493725060.db2.gz LRULFUDJBIRQCL-RHSMWYFYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014966 493725420 /nfs/dbraw/zinc/72/54/20/493725420.db2.gz ZMZDEXFCTOEYCN-USXIJHARSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672099035 493735498 /nfs/dbraw/zinc/73/54/98/493735498.db2.gz PEXRMCDOLSFUJH-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666151177 493760434 /nfs/dbraw/zinc/76/04/34/493760434.db2.gz FHCRIDGCVSXRCG-LJQANCHMSA-N 2 0 363.506 0.905 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423379471 536460175 /nfs/dbraw/zinc/46/01/75/536460175.db2.gz XSDVTGXEWHESFH-AWEZNQCLSA-N 2 0 352.504 0.706 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493098 536460185 /nfs/dbraw/zinc/46/01/85/536460185.db2.gz JMOKUXPYQHWFAS-GBESFXJTSA-N 2 0 370.497 0.787 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000187261677 527953556 /nfs/dbraw/zinc/95/35/56/527953556.db2.gz WKOUEPOGHRFDGF-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795832 529098695 /nfs/dbraw/zinc/09/86/95/529098695.db2.gz SOHBIMPCQQNSLQ-XHSDSOJGSA-N 2 0 354.495 0.996 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423504209 535062092 /nfs/dbraw/zinc/06/20/92/535062092.db2.gz KSTZSRAWCVCIMV-SJORKVTESA-N 2 0 368.522 0.530 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419692520 535072285 /nfs/dbraw/zinc/07/22/85/535072285.db2.gz GZRBATIZOLCJSK-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419158927 535082103 /nfs/dbraw/zinc/08/21/03/535082103.db2.gz WUHRBYVRCSAYBM-ARFHVFGLSA-N 2 0 368.522 0.700 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419398974 535082294 /nfs/dbraw/zinc/08/22/94/535082294.db2.gz YAEUVWUTWCUZPR-KRWDZBQOSA-N 2 0 374.485 0.126 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419155869 535082658 /nfs/dbraw/zinc/08/26/58/535082658.db2.gz SENOFENFQKKYNH-VSZNYVQBSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000419158929 535082956 /nfs/dbraw/zinc/08/29/56/535082956.db2.gz WUHRBYVRCSAYBM-OAGGEKHMSA-N 2 0 368.522 0.700 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419171191 535200733 /nfs/dbraw/zinc/20/07/33/535200733.db2.gz XGLJMRIJFCIGRB-INIZCTEOSA-N 2 0 362.474 0.247 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419761645 535296957 /nfs/dbraw/zinc/29/69/57/535296957.db2.gz KUSCZFUAJGKZDF-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179626 535439582 /nfs/dbraw/zinc/43/95/82/535439582.db2.gz ZTXZJCZAQHQQOK-PMUMKWKESA-N 2 0 354.495 0.223 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419885523 535544485 /nfs/dbraw/zinc/54/44/85/535544485.db2.gz HIEHSBFUTWCXFS-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369451 535669230 /nfs/dbraw/zinc/66/92/30/535669230.db2.gz HTQYHXAFNIRJAZ-ROUUACIJSA-N 2 0 360.502 0.876 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000419897472 535713327 /nfs/dbraw/zinc/71/33/27/535713327.db2.gz YYWQQKACWUSKMX-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375851 535717543 /nfs/dbraw/zinc/71/75/43/535717543.db2.gz FDPOTWDFRUNNOV-AXVVYFOYSA-N 2 0 366.550 0.909 20 0 FCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000444204793 535855355 /nfs/dbraw/zinc/85/53/55/535855355.db2.gz JUYDNKLJYLNIBU-UHFFFAOYSA-N 2 0 369.535 0.866 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908444 535862559 /nfs/dbraw/zinc/86/25/59/535862559.db2.gz DWEZTQOQKSMWAE-OAHLLOKOSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423361996 535868385 /nfs/dbraw/zinc/86/83/85/535868385.db2.gz HKTMZGOLRXCUFI-GOSISDBHSA-N 2 0 364.515 0.850 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000419714172 535927719 /nfs/dbraw/zinc/92/77/19/535927719.db2.gz SOMFPWXRHWVVIR-FQEVSTJZSA-N 2 0 360.502 0.913 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCO1 ZINC000453708031 535967599 /nfs/dbraw/zinc/96/75/99/535967599.db2.gz BQKLVTAEWZXNSQ-FUHWJXTLSA-N 2 0 374.485 0.963 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCSC1 ZINC000419576599 536141152 /nfs/dbraw/zinc/14/11/52/536141152.db2.gz CKZHIWYPHJFOKV-KRWDZBQOSA-N 2 0 354.520 0.142 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000419758121 536368403 /nfs/dbraw/zinc/36/84/03/536368403.db2.gz DMRBOVPTZUHENX-QZTJIDSGSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419422122 536368494 /nfs/dbraw/zinc/36/84/94/536368494.db2.gz QADNCUIDRHXCBA-QGZVFWFLSA-N 2 0 373.501 0.135 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415301800 536369446 /nfs/dbraw/zinc/36/94/46/536369446.db2.gz QOQPGKCWLKBHGT-QGZVFWFLSA-N 2 0 359.474 0.193 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423311167 536415821 /nfs/dbraw/zinc/41/58/21/536415821.db2.gz SUAQFOXUKHQLPI-ROUUACIJSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000419756470 536416310 /nfs/dbraw/zinc/41/63/10/536416310.db2.gz SEUDDHSNMWQZOU-HNNXBMFYSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000419688145 536416698 /nfs/dbraw/zinc/41/66/98/536416698.db2.gz ZQFCHEUUZSTMLA-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423712384 536433122 /nfs/dbraw/zinc/43/31/22/536433122.db2.gz OEQVRCLMTZSNAV-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000423596614 536466002 /nfs/dbraw/zinc/46/60/02/536466002.db2.gz SALASUGVDKERPA-GOSISDBHSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423595327 536466110 /nfs/dbraw/zinc/46/61/10/536466110.db2.gz PUVXWBXMGRZMMK-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000414778409 536469594 /nfs/dbraw/zinc/46/95/94/536469594.db2.gz PZPOMYGXWNPDHQ-QGZVFWFLSA-N 2 0 362.474 0.914 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424526294 536779748 /nfs/dbraw/zinc/77/97/48/536779748.db2.gz RVMWPQGDEAYCMN-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000419896851 537113977 /nfs/dbraw/zinc/11/39/77/537113977.db2.gz NUDNUEWXGNHGFS-KBPBESRZSA-N 2 0 361.446 0.125 20 0 FCADRP C[C@H](NC(=O)N(C)CC(C)(C)CN1CCOCC1)[C@H]1CN(C)CCO1 ZINC000131659097 546570137 /nfs/dbraw/zinc/57/01/37/546570137.db2.gz OWOAWDFHKNSIRK-JKSUJKDBSA-N 2 0 356.511 0.705 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000174721771 546583690 /nfs/dbraw/zinc/58/36/90/546583690.db2.gz VWOZJBFZXGHTMK-UHFFFAOYSA-N 2 0 370.519 0.282 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948410430 674377211 /nfs/dbraw/zinc/37/72/11/674377211.db2.gz PKTLMIAIKWCIOL-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735990 546747530 /nfs/dbraw/zinc/74/75/30/546747530.db2.gz CYBZKCMWBKCECH-QJPTWQEYSA-N 2 0 366.384 0.593 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735989 546747759 /nfs/dbraw/zinc/74/77/59/546747759.db2.gz CYBZKCMWBKCECH-IJLUTSLNSA-N 2 0 366.384 0.593 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418505926 546907078 /nfs/dbraw/zinc/90/70/78/546907078.db2.gz GMTDZAJYLYJYOX-HZPDHXFCSA-N 2 0 356.511 0.753 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420159057 546909769 /nfs/dbraw/zinc/90/97/69/546909769.db2.gz HPSBREKJGXYKQO-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@]1(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800256 546960034 /nfs/dbraw/zinc/96/00/34/546960034.db2.gz AYMWYGDFBCASOR-FUHWJXTLSA-N 2 0 353.511 0.176 20 0 FCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000641803581 546960197 /nfs/dbraw/zinc/96/01/97/546960197.db2.gz TXYALXZDFJKESZ-HOTGVXAUSA-N 2 0 352.523 0.853 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940994 547075083 /nfs/dbraw/zinc/07/50/83/547075083.db2.gz RFRLFXVNHYAUCX-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330384 547082696 /nfs/dbraw/zinc/08/26/96/547082696.db2.gz AXOMSMAAIQAZCT-GOEBONIOSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000550355957 547083842 /nfs/dbraw/zinc/08/38/42/547083842.db2.gz KLXWKNYEGAUMQI-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000550457212 547087185 /nfs/dbraw/zinc/08/71/85/547087185.db2.gz AFXYUDFPCZUZCN-INIZCTEOSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000550838746 547109887 /nfs/dbraw/zinc/10/98/87/547109887.db2.gz LIDDOHPAUZPPIS-GOSISDBHSA-N 2 0 370.563 0.778 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835715 547110565 /nfs/dbraw/zinc/11/05/65/547110565.db2.gz MCTBGMKJPCQISV-CRAIPNDOSA-N 2 0 370.563 0.777 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902370 547113455 /nfs/dbraw/zinc/11/34/55/547113455.db2.gz SPWIRRSVBRJWCN-HOTGVXAUSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902374 547113827 /nfs/dbraw/zinc/11/38/27/547113827.db2.gz SPWIRRSVBRJWCN-JKSUJKDBSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911587 547114757 /nfs/dbraw/zinc/11/47/57/547114757.db2.gz SFTFAEPWXZQDES-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000550957732 547117763 /nfs/dbraw/zinc/11/77/63/547117763.db2.gz NJVKSNUCUUMNPC-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552190860 547194802 /nfs/dbraw/zinc/19/48/02/547194802.db2.gz JTAYCWHMUKCOHK-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552278757 547197659 /nfs/dbraw/zinc/19/76/59/547197659.db2.gz MCSNWSNERBQQJA-HOTGVXAUSA-N 2 0 359.536 0.924 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552687195 547223311 /nfs/dbraw/zinc/22/33/11/547223311.db2.gz CENBWOJGINCQNZ-INMHGKMJSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000948994712 674391556 /nfs/dbraw/zinc/39/15/56/674391556.db2.gz GLOCQVUAIYEQHF-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000949206237 674397642 /nfs/dbraw/zinc/39/76/42/674397642.db2.gz XBUHTGKQGSDREC-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000949868366 674414642 /nfs/dbraw/zinc/41/46/42/674414642.db2.gz LQDNZQDRYVMYKX-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000950255678 674423548 /nfs/dbraw/zinc/42/35/48/674423548.db2.gz OXXDDRDWYQGRIC-HRCADAONSA-N 2 0 350.507 0.918 20 0 FCADRP CC1CC[NH+](CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736276211 598518216 /nfs/dbraw/zinc/51/82/16/598518216.db2.gz MYZFGPCRGKTRJM-AWEZNQCLSA-N 2 0 359.482 0.817 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269371 598518458 /nfs/dbraw/zinc/51/84/58/598518458.db2.gz WLADPYAXXBAOCA-KGLIPLIRSA-N 2 0 359.482 0.959 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000951095798 674449228 /nfs/dbraw/zinc/44/92/28/674449228.db2.gz UWVUZYXJLNOOGB-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000821268445 599403402 /nfs/dbraw/zinc/40/34/02/599403402.db2.gz XKFATJJTOHCGCC-CQSZACIVSA-N 2 0 359.478 0.991 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000953948537 674486858 /nfs/dbraw/zinc/48/68/58/674486858.db2.gz VPJPGGZMYPNWKD-BFYDXBDKSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000957591631 674546630 /nfs/dbraw/zinc/54/66/30/674546630.db2.gz LZXWDOFYEHCUKN-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823674080 606885971 /nfs/dbraw/zinc/88/59/71/606885971.db2.gz PWBGEIWFAOTHRF-GOSISDBHSA-N 2 0 372.473 0.944 20 0 FCADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823674081 606886323 /nfs/dbraw/zinc/88/63/23/606886323.db2.gz PWBGEIWFAOTHRF-SFHVURJKSA-N 2 0 372.473 0.944 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897650267 665759822 /nfs/dbraw/zinc/75/98/22/665759822.db2.gz HLOQRGIDWWNCHH-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000989479114 665817024 /nfs/dbraw/zinc/81/70/24/665817024.db2.gz WSGHYZSVJUYDPB-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCNC1=O ZINC000891079838 663302314 /nfs/dbraw/zinc/30/23/14/663302314.db2.gz OZTDCRCEPBYWGS-HNNXBMFYSA-N 2 0 354.499 0.069 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000891439033 663390583 /nfs/dbraw/zinc/39/05/83/663390583.db2.gz AGBRUXOGWWQLSO-UHFFFAOYSA-N 2 0 353.492 0.780 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC001022035325 663392629 /nfs/dbraw/zinc/39/26/29/663392629.db2.gz ITIRZPPXGIAWJK-GVDBMIGSSA-N 2 0 350.507 0.728 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891445346 663397428 /nfs/dbraw/zinc/39/74/28/663397428.db2.gz LASSNHFUMJQIAX-XQLPTFJDSA-N 2 0 353.467 0.293 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971560679 663397641 /nfs/dbraw/zinc/39/76/41/663397641.db2.gz IWXBFALVDCEDHQ-QLFBSQMISA-N 2 0 350.463 0.008 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000971566240 663398156 /nfs/dbraw/zinc/39/81/56/663398156.db2.gz CGKANWQQUSSTAS-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022103720 663404660 /nfs/dbraw/zinc/40/46/60/663404660.db2.gz MIGRPHKACDKYEG-DGADGQDISA-N 2 0 357.520 0.388 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000891514158 663410887 /nfs/dbraw/zinc/41/08/87/663410887.db2.gz MQYPKTALYJZRIR-VXGBXAGGSA-N 2 0 351.476 0.533 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891547263 663413479 /nfs/dbraw/zinc/41/34/79/663413479.db2.gz ZCSQDCKOENYZLR-KFWWJZLASA-N 2 0 353.467 0.295 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCSC1 ZINC000891639872 663421452 /nfs/dbraw/zinc/42/14/52/663421452.db2.gz UYOHRVMSPXBITR-RHSMWYFYSA-N 2 0 356.536 0.882 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891656285 663424304 /nfs/dbraw/zinc/42/43/04/663424304.db2.gz WQHSXPHNPALQOF-GJZGRUSLSA-N 2 0 351.495 0.369 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000891700268 663429552 /nfs/dbraw/zinc/42/95/52/663429552.db2.gz XZCKPJBIGRWYHH-HZPDHXFCSA-N 2 0 374.551 0.300 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847651 663444719 /nfs/dbraw/zinc/44/47/19/663444719.db2.gz RVYPCMJEUHHEBI-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892080455 663474034 /nfs/dbraw/zinc/47/40/34/663474034.db2.gz XZAYUGHSSHDTHW-LSDHHAIUSA-N 2 0 351.495 0.500 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[NH2+]C1 ZINC000892106984 663476977 /nfs/dbraw/zinc/47/69/77/663476977.db2.gz FPCAOUWASPJPGZ-CHWSQXEVSA-N 2 0 365.444 0.900 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH2+]CCC12CCC2 ZINC000892107814 663477187 /nfs/dbraw/zinc/47/71/87/663477187.db2.gz NBTBDQAXTHGAKY-CYBMUJFWSA-N 2 0 363.428 0.750 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000892132712 663480445 /nfs/dbraw/zinc/48/04/45/663480445.db2.gz STORIPDHEDLUFN-NFOMZHRRSA-N 2 0 359.465 0.747 20 0 FCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892135154 663480825 /nfs/dbraw/zinc/48/08/25/663480825.db2.gz MYXXKTYNNFIYNF-IRXDYDNUSA-N 2 0 355.527 0.600 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000892263719 663508676 /nfs/dbraw/zinc/50/86/76/663508676.db2.gz UCAMICJSMHJPJF-KBXCAEBGSA-N 2 0 351.495 0.228 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892336035 663574622 /nfs/dbraw/zinc/57/46/22/663574622.db2.gz YKNSQCPOSRGQBJ-IRXDYDNUSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCCCCC2)CC[N@@H+]1C ZINC001038264682 663607313 /nfs/dbraw/zinc/60/73/13/663607313.db2.gz DXXDJHSFPQAIMZ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892431325 663893219 /nfs/dbraw/zinc/89/32/19/663893219.db2.gz WXCXPVYDPZABJM-RYPNDVFKSA-N 2 0 351.451 0.080 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCCC2=O)CC[N@@H+]1C ZINC001024446342 663943640 /nfs/dbraw/zinc/94/36/40/663943640.db2.gz BOHNLJYVWHKBDM-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892773477 664141203 /nfs/dbraw/zinc/14/12/03/664141203.db2.gz FJJXDSLILZIBCS-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000892927431 664155371 /nfs/dbraw/zinc/15/53/71/664155371.db2.gz VLEOWGNZTHKCHC-HNNXBMFYSA-N 2 0 355.527 0.992 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052220 664202166 /nfs/dbraw/zinc/20/21/66/664202166.db2.gz DKPSVRDSXNKGLT-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP CN1CCC(CNC(=O)N[C@]2(C)CCNC2=O)([NH+]2CCCCC2)CC1 ZINC000893268196 664224743 /nfs/dbraw/zinc/22/47/43/664224743.db2.gz SKRCESPVFNQKSK-QGZVFWFLSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893353323 664248943 /nfs/dbraw/zinc/24/89/43/664248943.db2.gz NWCCWTYOFLNVOH-RHSMWYFYSA-N 2 0 367.515 0.891 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001026852341 664270888 /nfs/dbraw/zinc/27/08/88/664270888.db2.gz MGKMCKHVMUWAPB-RBSFLKMASA-N 2 0 352.458 0.526 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000976406257 664381840 /nfs/dbraw/zinc/38/18/40/664381840.db2.gz MVZLTCMRPHOZOM-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423259941 664429850 /nfs/dbraw/zinc/42/98/50/664429850.db2.gz GFEPWQSSXVDKHL-SFHVURJKSA-N 2 0 354.495 0.158 20 0 FCADRP CCn1nncc1CN1CCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027965371 664479187 /nfs/dbraw/zinc/47/91/87/664479187.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 0 350.467 0.098 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924949183 664942302 /nfs/dbraw/zinc/94/23/02/664942302.db2.gz FZUHMTVRCJRBAU-SJORKVTESA-N 2 0 374.595 0.910 20 0 FCADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924949676 664942403 /nfs/dbraw/zinc/94/24/03/664942403.db2.gz HCOINQWZUSTWFQ-JKSUJKDBSA-N 2 0 360.568 0.520 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC000983713905 664985482 /nfs/dbraw/zinc/98/54/82/664985482.db2.gz NMHSEGYPKFISJC-QUSNUVHPSA-N 2 0 350.507 0.822 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262117004 665008627 /nfs/dbraw/zinc/00/86/27/665008627.db2.gz VZSRRLJTBLERIC-LSDHHAIUSA-N 2 0 350.850 0.681 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H]2CCOC2)O1 ZINC001029357704 665019136 /nfs/dbraw/zinc/01/91/36/665019136.db2.gz QSFGVHRTIYJQNX-HSFUPAIVSA-N 2 0 351.491 0.807 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000895208136 665029570 /nfs/dbraw/zinc/02/95/70/665029570.db2.gz UGALANAPGGILBN-UHFFFAOYSA-N 2 0 357.495 0.793 20 0 FCADRP C[NH+](C)CCCNC(=S)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727285434 665031297 /nfs/dbraw/zinc/03/12/97/665031297.db2.gz VOTHTUURHIOCIQ-UHFFFAOYSA-N 2 0 365.547 0.894 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300259 665079915 /nfs/dbraw/zinc/07/99/15/665079915.db2.gz FVQRPCXOTQMQGL-QAETUUGQSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896450115 665085140 /nfs/dbraw/zinc/08/51/40/665085140.db2.gz HXLLCBKFVWGYKZ-HNNXBMFYSA-N 2 0 351.491 0.714 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000728791451 665165738 /nfs/dbraw/zinc/16/57/38/665165738.db2.gz DGCKDACHJAZPMB-UHFFFAOYSA-N 2 0 371.595 0.935 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)[NH+](C)C ZINC000986424449 665214054 /nfs/dbraw/zinc/21/40/54/665214054.db2.gz HDOMVJPJMJTIJB-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000897455264 665289113 /nfs/dbraw/zinc/28/91/13/665289113.db2.gz QFGPBEWTLUYQLI-QGZVFWFLSA-N 2 0 351.539 0.997 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988783158 665314373 /nfs/dbraw/zinc/31/43/73/665314373.db2.gz OGIXIDNAJNJBKB-PBHICJAKSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000907041434 666088621 /nfs/dbraw/zinc/08/86/21/666088621.db2.gz AALROIVZTPKBGO-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000908186920 666191726 /nfs/dbraw/zinc/19/17/26/666191726.db2.gz YLVMIRUOTJRCSV-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)([NH+](C)C)C1 ZINC000910998540 666300902 /nfs/dbraw/zinc/30/09/02/666300902.db2.gz CZJCOOFYFKXXPO-YIOZNXECSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982067 666301753 /nfs/dbraw/zinc/30/17/53/666301753.db2.gz AFGFAHKSFXQTNK-HOTGVXAUSA-N 2 0 354.495 0.252 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911034507 666307467 /nfs/dbraw/zinc/30/74/67/666307467.db2.gz OJSIUGKVGJLSJY-QXSJWSMHSA-N 2 0 354.495 0.045 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911195055 666322435 /nfs/dbraw/zinc/32/24/35/666322435.db2.gz SNXKYHXMMVKZCJ-MRXNPFEDSA-N 2 0 354.495 0.252 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000911529302 666362322 /nfs/dbraw/zinc/36/23/22/666362322.db2.gz CKNPDAHCVPZCRT-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564715 666367115 /nfs/dbraw/zinc/36/71/15/666367115.db2.gz VJHMLCHONBTYGD-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938607486 666473481 /nfs/dbraw/zinc/47/34/81/666473481.db2.gz IHJJLTOZZCMQFU-DJIMGWMZSA-N 2 0 350.507 0.728 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992695 666490555 /nfs/dbraw/zinc/49/05/55/666490555.db2.gz KTXWWHULORPCFQ-APWZRJJASA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCC2C[NH+](CCCC3CCOCC3)C2)O1 ZINC001031765130 666495025 /nfs/dbraw/zinc/49/50/25/666495025.db2.gz BFIHFRRVDDRZIW-CRAIPNDOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000940300084 666545723 /nfs/dbraw/zinc/54/57/23/666545723.db2.gz DMXDKVKEDZZNPR-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC[N@@H+]1C ZINC000941216021 666593693 /nfs/dbraw/zinc/59/36/93/666593693.db2.gz CGFJKUSBFVAPRY-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000941220120 666594202 /nfs/dbraw/zinc/59/42/02/666594202.db2.gz KYAJMXSTFUXCGM-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923595975 666632815 /nfs/dbraw/zinc/63/28/15/666632815.db2.gz NOPKTCRUZXIEMU-UHFFFAOYSA-N 2 0 362.446 0.478 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000943655075 666781512 /nfs/dbraw/zinc/78/15/12/666781512.db2.gz WNBZWSARLGJAIM-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000944051000 666824263 /nfs/dbraw/zinc/82/42/63/666824263.db2.gz UQRGTVFGEXDMOU-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000732569597 666889249 /nfs/dbraw/zinc/88/92/49/666889249.db2.gz RVPRAPUDRGRUPQ-HNNXBMFYSA-N 2 0 354.495 0.949 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)c1nc(CNC(=O)[C@@H]2CC[NH+](C)C2)cs1 ZINC000732911750 666909634 /nfs/dbraw/zinc/90/96/34/666909634.db2.gz GWIZWIQAXVXVAA-OLZOCXBDSA-N 2 0 365.503 0.626 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000993959309 666951016 /nfs/dbraw/zinc/95/10/16/666951016.db2.gz OHGNLLGYXBNNNO-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000994456881 667048760 /nfs/dbraw/zinc/04/87/60/667048760.db2.gz RVBYEUXLHYGINI-WCXIOVBPSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224707 667064696 /nfs/dbraw/zinc/06/46/96/667064696.db2.gz SRMYHDLISKNARC-NVXWUHKLSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCF)C3)nn2)CC[N@@H+]1C ZINC000999988059 667259056 /nfs/dbraw/zinc/25/90/56/667259056.db2.gz SKRPUTHGKCDPSB-VNQPRFMTSA-N 2 0 352.458 0.841 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001002245589 667526087 /nfs/dbraw/zinc/52/60/87/667526087.db2.gz IWFPTFYMFRQNQX-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033087155 667668936 /nfs/dbraw/zinc/66/89/36/667668936.db2.gz AWTUTZIJFQRQOU-KSZLIROESA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001034570513 667761245 /nfs/dbraw/zinc/76/12/45/667761245.db2.gz LULUJCQCSGONMO-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324237 667825324 /nfs/dbraw/zinc/82/53/24/667825324.db2.gz QWVWKTINMNMFKT-QGZVFWFLSA-N 2 0 350.507 0.241 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000946907896 667839636 /nfs/dbraw/zinc/83/96/36/667839636.db2.gz RXGIHZWLCUTRIW-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000923481803 667839912 /nfs/dbraw/zinc/83/99/12/667839912.db2.gz LXUJWNLPQBRWLN-KRWDZBQOSA-N 3 0 352.523 0.808 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476913 667850754 /nfs/dbraw/zinc/85/07/54/667850754.db2.gz LDJIZRYHSLFKRZ-MRXNPFEDSA-N 2 0 369.579 0.735 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000743596097 668049529 /nfs/dbraw/zinc/04/95/29/668049529.db2.gz ZSVYNWUIJMAZCW-INIZCTEOSA-N 2 0 369.579 0.735 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000774431177 668150865 /nfs/dbraw/zinc/15/08/65/668150865.db2.gz KFHULUDUZOBLTF-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820810197 669130724 /nfs/dbraw/zinc/13/07/24/669130724.db2.gz RGHSPRFVLCWCJY-ZDUSSCGKSA-N 2 0 353.488 0.938 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000799125480 669282820 /nfs/dbraw/zinc/28/28/20/669282820.db2.gz FZCOIZIGTNOBIH-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(C[NH+]1CCCC1)NCCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000822760827 669292404 /nfs/dbraw/zinc/29/24/04/669292404.db2.gz VWSFBHNSJMIOHP-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055372 669356854 /nfs/dbraw/zinc/35/68/54/669356854.db2.gz MVGUAQWHNDCAQV-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817945646 670050038 /nfs/dbraw/zinc/05/00/38/670050038.db2.gz ISEZYSZHTDPZDS-LLVKDONJSA-N 2 0 361.414 0.765 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)([NH+](C)C)C1 ZINC000842034909 670629147 /nfs/dbraw/zinc/62/91/47/670629147.db2.gz DGNSDPIOOCJHML-ATZDWAIDSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)C2=O ZINC000842619124 670703027 /nfs/dbraw/zinc/70/30/27/670703027.db2.gz UHMGARYZSMYIOT-GJZGRUSLSA-N 2 0 350.463 0.851 20 0 FCADRP C[C@H]([NH3+])Cc1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000843202684 670779738 /nfs/dbraw/zinc/77/97/38/670779738.db2.gz LOIQVVYYCRJRIF-LBPRGKRZSA-N 2 0 367.475 0.856 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000843263526 670790571 /nfs/dbraw/zinc/79/05/71/670790571.db2.gz XYHOELVXZYNUAU-CVEARBPZSA-N 2 0 354.495 0.116 20 0 FCADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000843400523 670812807 /nfs/dbraw/zinc/81/28/07/670812807.db2.gz GPKRZTPJZVRNRR-AWEZNQCLSA-N 2 0 367.412 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000968012824 675178226 /nfs/dbraw/zinc/17/82/26/675178226.db2.gz FLERYYDPLYQXNJ-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP NS(=O)(=O)c1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000107911636 671299986 /nfs/dbraw/zinc/29/99/86/671299986.db2.gz JGCGTPSZHSSNHY-UHFFFAOYSA-N 2 0 367.515 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CS(N)(=O)=O)c1 ZINC000849066989 671316808 /nfs/dbraw/zinc/31/68/08/671316808.db2.gz VNOABWVPLUNAGP-HNNXBMFYSA-N 2 0 353.492 0.573 20 0 FCADRP [NH2+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCSCC1 ZINC000849068702 671316960 /nfs/dbraw/zinc/31/69/60/671316960.db2.gz HFWWBZUZKJQACR-UHFFFAOYSA-N 2 0 363.535 0.952 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849115688 671318921 /nfs/dbraw/zinc/31/89/21/671318921.db2.gz AXEYPQBXUNBLTP-MRXNPFEDSA-N 2 0 353.511 0.466 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853683337 671554128 /nfs/dbraw/zinc/55/41/28/671554128.db2.gz QUVDIGLQZMBNBA-BRWVUGGUSA-N 2 0 352.479 0.090 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853683340 671554135 /nfs/dbraw/zinc/55/41/35/671554135.db2.gz QUVDIGLQZMBNBA-YESZJQIVSA-N 2 0 352.479 0.090 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@@H](NC(N)=O)C1)CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000859218241 671801858 /nfs/dbraw/zinc/80/18/58/671801858.db2.gz JJVISDGMOFJDEV-ZIAGYGMSSA-N 2 0 370.574 0.180 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000859275344 671807354 /nfs/dbraw/zinc/80/73/54/671807354.db2.gz HWKZUGDSAXZHLR-TVFCKZIOSA-N 2 0 374.598 0.045 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000861739740 671989190 /nfs/dbraw/zinc/98/91/90/671989190.db2.gz LGWIYPSIDWQGHQ-CQSZACIVSA-N 2 0 356.536 0.660 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000861764881 671992848 /nfs/dbraw/zinc/99/28/48/671992848.db2.gz DMMPGHCYLKOMGK-AWEZNQCLSA-N 2 0 350.463 0.091 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000861772203 671993865 /nfs/dbraw/zinc/99/38/65/671993865.db2.gz QAYPXYHPVUUSNZ-CQSZACIVSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000865942799 672257418 /nfs/dbraw/zinc/25/74/18/672257418.db2.gz CFSWBCHIRBTFRV-KPWCQOOUSA-N 2 0 360.449 0.820 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923607015 672424827 /nfs/dbraw/zinc/42/48/27/672424827.db2.gz VFAHJNXZCAMPDD-UHFFFAOYSA-N 2 0 356.492 0.257 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923613590 672443541 /nfs/dbraw/zinc/44/35/41/672443541.db2.gz YIVAKUCNMFABEX-HNNXBMFYSA-N 2 0 352.504 0.952 20 0 FCADRP CC[C@@H](F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583410 676025260 /nfs/dbraw/zinc/02/52/60/676025260.db2.gz MPBDDKYIWQPSFQ-FVQBIDKESA-N 2 0 356.486 0.772 20 0 FCADRP COC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600885 672563659 /nfs/dbraw/zinc/56/36/59/672563659.db2.gz FUKDDVCTEJSBHK-LSDHHAIUSA-N 2 0 353.463 0.731 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000871811874 672573501 /nfs/dbraw/zinc/57/35/01/672573501.db2.gz SUZORQUXIXEVRG-SFHVURJKSA-N 2 0 366.531 0.258 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871816500 672575227 /nfs/dbraw/zinc/57/52/27/672575227.db2.gz FTECMFWIIYTATG-ZBFHGGJFSA-N 2 0 355.508 0.624 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056549057 676047159 /nfs/dbraw/zinc/04/71/59/676047159.db2.gz VACYVTXKAMICFI-VQHPVUNQSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C1\SCC(=O)N1C ZINC000874266295 672771806 /nfs/dbraw/zinc/77/18/06/672771806.db2.gz IOOWMBWWMPEBGS-RQNDZEIBSA-N 2 0 354.520 0.908 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048779 672823897 /nfs/dbraw/zinc/82/38/97/672823897.db2.gz WAIFVOGIAKQZNP-SQNIBIBYSA-N 2 0 351.539 0.994 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048773 672823917 /nfs/dbraw/zinc/82/39/17/672823917.db2.gz WAIFVOGIAKQZNP-BZSNNMDCSA-N 2 0 351.539 0.994 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000876873600 672984124 /nfs/dbraw/zinc/98/41/24/672984124.db2.gz LDXBQCGKCCWKLO-OWCLPIDISA-N 2 0 359.536 0.861 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878230448 673048698 /nfs/dbraw/zinc/04/86/98/673048698.db2.gz LZGSFMRQJMETQW-KRWDZBQOSA-N 2 0 353.507 0.962 20 0 FCADRP Cc1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622972 676106667 /nfs/dbraw/zinc/10/66/67/676106667.db2.gz AYERDMCUHKLJHH-VNQPRFMTSA-N 2 0 350.463 0.949 20 0 FCADRP CCc1nn(C)cc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000881735684 673238093 /nfs/dbraw/zinc/23/80/93/673238093.db2.gz OTPDDJQBIQIORV-UHFFFAOYSA-N 2 0 359.540 0.877 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883439366 673375511 /nfs/dbraw/zinc/37/55/11/673375511.db2.gz PTZDIZUQNXLVOL-XUWVNRHRSA-N 2 0 351.447 0.582 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000883472560 673378130 /nfs/dbraw/zinc/37/81/30/673378130.db2.gz FAKFSTVPQCZGLT-CQSZACIVSA-N 2 0 353.492 0.521 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000884305608 673445173 /nfs/dbraw/zinc/44/51/73/673445173.db2.gz AWOFSIGEXLMIPB-CABCVRRESA-N 2 0 359.536 0.590 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344332 673448861 /nfs/dbraw/zinc/44/88/61/673448861.db2.gz CMVBOQYEBKQUEK-HRCADAONSA-N 2 0 351.495 0.367 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000884502179 673457705 /nfs/dbraw/zinc/45/77/05/673457705.db2.gz CNOIPAGEWFRNDJ-KGLIPLIRSA-N 2 0 360.449 0.584 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC000884518361 673459474 /nfs/dbraw/zinc/45/94/74/673459474.db2.gz NBQOWWKOGQPDGV-UHFFFAOYSA-N 2 0 350.463 0.487 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000884554308 673461626 /nfs/dbraw/zinc/46/16/26/673461626.db2.gz QPYWSFNEOPJDED-TYILLQQXSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884576595 673463171 /nfs/dbraw/zinc/46/31/71/673463171.db2.gz LDNMDLSSCVQQNP-AGIUHOORSA-N 2 0 364.412 0.430 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884576286 673463231 /nfs/dbraw/zinc/46/32/31/673463231.db2.gz DJBWIUCKSLMORQ-GFCCVEGCSA-N 2 0 365.503 0.335 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000884576618 673463715 /nfs/dbraw/zinc/46/37/15/673463715.db2.gz LVPSQJIFBRQKAC-XPKDYRNWSA-N 2 0 350.438 0.598 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000884601691 673464987 /nfs/dbraw/zinc/46/49/87/673464987.db2.gz SPMGCQJOAQWHSM-CMPLNLGQSA-N 2 0 350.385 0.183 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000884601733 673465033 /nfs/dbraw/zinc/46/50/33/673465033.db2.gz UIJWLGWSULWSOW-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000884607273 673465318 /nfs/dbraw/zinc/46/53/18/673465318.db2.gz UMDSYRCCRIRURY-RZLSGREXSA-N 2 0 362.499 0.820 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CC[N@H+](C)CC1 ZINC000884623510 673466991 /nfs/dbraw/zinc/46/69/91/673466991.db2.gz FWMPUSVELCETGH-CYZMBNFOSA-N 2 0 362.396 0.349 20 0 FCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884631806 673468119 /nfs/dbraw/zinc/46/81/19/673468119.db2.gz YKZCFQTUKYHQTR-DNVCBOLYSA-N 2 0 350.507 0.810 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000884719785 673476525 /nfs/dbraw/zinc/47/65/25/673476525.db2.gz ZDXTVOPUMIOMEE-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884725922 673478008 /nfs/dbraw/zinc/47/80/08/673478008.db2.gz CJAWRUDHMRLALN-KGTZEYCTSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884728555 673478233 /nfs/dbraw/zinc/47/82/33/673478233.db2.gz ULDFGRBVUQNZEQ-YWPUVAFDSA-N 2 0 364.412 0.571 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884728756 673478246 /nfs/dbraw/zinc/47/82/46/673478246.db2.gz ZTQYTBZHLYVLQG-RJYAGPCLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884785642 673482040 /nfs/dbraw/zinc/48/20/40/673482040.db2.gz BNOPMVQOVXAOJA-NXOAAHMSSA-N 2 0 350.507 0.870 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000884787719 673482218 /nfs/dbraw/zinc/48/22/18/673482218.db2.gz ZWVNPODGPBQYRC-GOEBONIOSA-N 2 0 352.479 0.086 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000884819860 673484105 /nfs/dbraw/zinc/48/41/05/673484105.db2.gz JQJIJKMCDMLASO-UHFFFAOYSA-N 2 0 354.495 0.335 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884876934 673487978 /nfs/dbraw/zinc/48/79/78/673487978.db2.gz PYUBWXRDGASOLJ-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884954333 673493196 /nfs/dbraw/zinc/49/31/96/673493196.db2.gz CMLLYQBMVBXXBZ-HOTGVXAUSA-N 2 0 369.535 0.967 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000884967710 673494133 /nfs/dbraw/zinc/49/41/33/673494133.db2.gz KHSXUIVDSXVOOL-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970483 673494418 /nfs/dbraw/zinc/49/44/18/673494418.db2.gz KDCPOFWCKHDBBG-JKSUJKDBSA-N 2 0 352.523 0.975 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC[C@H]21 ZINC000884970071 673494429 /nfs/dbraw/zinc/49/44/29/673494429.db2.gz CUQAOJKQXSTDJZ-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974129 673495041 /nfs/dbraw/zinc/49/50/41/673495041.db2.gz NDQKCNKHESQPJT-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000885276626 673511421 /nfs/dbraw/zinc/51/14/21/673511421.db2.gz SGVZWPXFNGRTCL-MCIONIFRSA-N 2 0 360.449 0.584 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000885285388 673512192 /nfs/dbraw/zinc/51/21/92/673512192.db2.gz KVYBCWCBTMPOSN-KBPBESRZSA-N 2 0 358.433 0.434 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885292819 673513387 /nfs/dbraw/zinc/51/33/87/673513387.db2.gz YZWXOLXCVSAZSS-CYBMUJFWSA-N 2 0 360.449 0.680 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887082890 673621127 /nfs/dbraw/zinc/62/11/27/673621127.db2.gz JPPNUPDNDGMAGR-QFBILLFUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000888042578 673665504 /nfs/dbraw/zinc/66/55/04/673665504.db2.gz WSEQHRVJPJANBD-GEEKYZPCSA-N 2 0 356.511 0.159 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@H]2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000889807962 673690258 /nfs/dbraw/zinc/69/02/58/673690258.db2.gz XETNEYWABWUMDC-OAGGEKHMSA-N 2 0 374.551 0.335 20 0 FCADRP COC(=O)[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000924161709 673746392 /nfs/dbraw/zinc/74/63/92/673746392.db2.gz DTWBSHJOGOXGDJ-CABCVRRESA-N 2 0 354.495 0.996 20 0 FCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704470 673761479 /nfs/dbraw/zinc/76/14/79/673761479.db2.gz FLVPFQNHFUYGKB-KBPBESRZSA-N 2 0 353.488 0.938 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354765 673788625 /nfs/dbraw/zinc/78/86/25/673788625.db2.gz LIQBSKDPKJCGME-CABCVRRESA-N 2 0 351.495 0.594 20 0 FCADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926170117 673814813 /nfs/dbraw/zinc/81/48/13/673814813.db2.gz IGOFEGOLZFEYNL-FPAYPSAMSA-N 2 0 352.523 0.220 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926203712 673816385 /nfs/dbraw/zinc/81/63/85/673816385.db2.gz YCCVDULZVNDCTP-CVEARBPZSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926203716 673816414 /nfs/dbraw/zinc/81/64/14/673816414.db2.gz YCCVDULZVNDCTP-HZPDHXFCSA-N 2 0 360.568 0.662 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000926300407 673820988 /nfs/dbraw/zinc/82/09/88/673820988.db2.gz UPRPOVDBCJLXSV-QGZVFWFLSA-N 2 0 350.507 0.908 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927638474 673873992 /nfs/dbraw/zinc/87/39/92/673873992.db2.gz BLMFSEFAHSDWLD-ZOBUZTSGSA-N 2 0 354.495 0.336 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728054 675227154 /nfs/dbraw/zinc/22/71/54/675227154.db2.gz AZRWXTFJHOZHNA-RBSFLKMASA-N 2 0 352.504 0.749 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001007370170 675288178 /nfs/dbraw/zinc/28/81/78/675288178.db2.gz WQOAUJMLGGKLIB-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001007376964 675288639 /nfs/dbraw/zinc/28/86/39/675288639.db2.gz PKTIEFHENVPBLP-HYVNUMGLSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019212109 675422738 /nfs/dbraw/zinc/42/27/38/675422738.db2.gz IDKPCWMSCGDHHO-OAGGEKHMSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001020171935 675436407 /nfs/dbraw/zinc/43/64/07/675436407.db2.gz DSDAVPWECCQSSA-BQJWPVKWSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900009972 675658343 /nfs/dbraw/zinc/65/83/43/675658343.db2.gz QZTSBKVPTFXUMH-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023542 675659808 /nfs/dbraw/zinc/65/98/08/675659808.db2.gz NZARTWZWJJTKDE-UHFFFAOYSA-N 2 0 350.507 0.337 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938504 675673860 /nfs/dbraw/zinc/67/38/60/675673860.db2.gz DEKKNDXDZUODTD-GPMSIDNRSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900732577 675711435 /nfs/dbraw/zinc/71/14/35/675711435.db2.gz MPAQBKUHOMLNAH-SQNIBIBYSA-N 2 0 350.507 0.526 20 0 FCADRP C[NH+](C)CCCN(C(=O)CNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000900982249 675737128 /nfs/dbraw/zinc/73/71/28/675737128.db2.gz VQUNOMUXOJBMKC-CQSZACIVSA-N 2 0 354.476 0.461 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000969509266 1167997975 /nfs/dbraw/zinc/99/79/75/1167997975.db2.gz WXEZIIGFXPFPNM-PMPSAXMXSA-N 2 0 368.522 0.135 20 0 FCADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092129 1168158874 /nfs/dbraw/zinc/15/88/74/1168158874.db2.gz DSVPIEXUMKQTRT-MSOLQXFVSA-N 2 0 360.502 0.906 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614351 1168161311 /nfs/dbraw/zinc/16/13/11/1168161311.db2.gz WFKQSMPVOCMJHG-HSFUPAIVSA-N 2 0 356.470 0.457 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001167096043 1168206646 /nfs/dbraw/zinc/20/66/46/1168206646.db2.gz RMBNSVQQNGATFR-JQHSSLGASA-N 2 0 360.502 0.904 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)c1nnnn1C ZINC001104287836 1169158807 /nfs/dbraw/zinc/15/88/07/1169158807.db2.gz MGYALVIRBZEZKP-QLFBSQMISA-N 2 0 363.510 0.830 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)CC1 ZINC001021489058 1169468423 /nfs/dbraw/zinc/46/84/23/1169468423.db2.gz NFORESDMMWOWQZ-JKSUJKDBSA-N 2 0 359.474 0.743 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]21 ZINC001021711840 1169914327 /nfs/dbraw/zinc/91/43/27/1169914327.db2.gz DTOWBLFCCMKKDD-GOEBONIOSA-N 2 0 356.430 0.227 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC001021712004 1169915046 /nfs/dbraw/zinc/91/50/46/1169915046.db2.gz IIDBRMIDBVDKFF-HYVNUMGLSA-N 2 0 359.474 0.735 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001021713992 1169919043 /nfs/dbraw/zinc/91/90/43/1169919043.db2.gz GWHKVNRJDBODQF-YESZJQIVSA-N 2 0 359.474 0.735 20 0 FCADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703868 1170107970 /nfs/dbraw/zinc/10/79/70/1170107970.db2.gz PCBCNWKDYPZELO-MGPQQGTHSA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cncn1C ZINC001104345431 1170127332 /nfs/dbraw/zinc/12/73/32/1170127332.db2.gz GTWBOYMZHNGCRI-YFHUEUNASA-N 2 0 363.506 0.713 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348473 1170199693 /nfs/dbraw/zinc/19/96/93/1170199693.db2.gz GMPCFXHUZPQGJY-BZUAXINKSA-N 2 0 365.526 0.998 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022035443 1170443950 /nfs/dbraw/zinc/44/39/50/1170443950.db2.gz MVODJRYJHSBUKP-BPQIPLTHSA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104363734 1170489501 /nfs/dbraw/zinc/48/95/01/1170489501.db2.gz FDWZMWURUWVHAA-HZSPNIEDSA-N 2 0 369.510 0.374 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC000971569804 1170547566 /nfs/dbraw/zinc/54/75/66/1170547566.db2.gz XVMSTWNYMMDZKK-KZNAEPCWSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221319 1170595011 /nfs/dbraw/zinc/59/50/11/1170595011.db2.gz VPGCRGADGSKCPI-HYVNUMGLSA-N 2 0 367.469 0.718 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4cncn4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022213282 1170760894 /nfs/dbraw/zinc/76/08/94/1170760894.db2.gz AJCWWBJEBREHLU-YALNPMBYSA-N 2 0 359.474 0.362 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001691095857 1170801446 /nfs/dbraw/zinc/80/14/46/1170801446.db2.gz MYYPMRFKKQCODA-LJISPDSOSA-N 2 0 363.462 0.828 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@@H+]1C1CC1 ZINC000891662504 1170801714 /nfs/dbraw/zinc/80/17/14/1170801714.db2.gz YCNWPNVGMDQGGF-JLHFOLKXSA-N 2 0 363.462 0.188 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001691143728 1170840529 /nfs/dbraw/zinc/84/05/29/1170840529.db2.gz XARXQGIDSNPFHO-HYVNUMGLSA-N 2 0 350.507 0.681 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+](C)CC1 ZINC000891805505 1170880711 /nfs/dbraw/zinc/88/07/11/1170880711.db2.gz LSYFDFKUYMWQTD-UHFFFAOYSA-N 2 0 374.533 0.935 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909931 1171066503 /nfs/dbraw/zinc/06/65/03/1171066503.db2.gz OMYAAILHMDVNRZ-JONQDZQNSA-N 2 0 367.494 0.683 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCC[C@@H](C)O ZINC001691333510 1171126064 /nfs/dbraw/zinc/12/60/64/1171126064.db2.gz HJFJTESNHORCBX-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691333760 1171127201 /nfs/dbraw/zinc/12/72/01/1171127201.db2.gz QOXGFLFHCABCLN-GVDBMIGSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691365489 1171210783 /nfs/dbraw/zinc/21/07/83/1171210783.db2.gz CBGZOTLHYYIAPC-IKGGRYGDSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001691378950 1171235404 /nfs/dbraw/zinc/23/54/04/1171235404.db2.gz VPODDSOUUQWXSG-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC001022516849 1171353463 /nfs/dbraw/zinc/35/34/63/1171353463.db2.gz ZSYUFQUXWSWCHO-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001022522793 1171356484 /nfs/dbraw/zinc/35/64/84/1171356484.db2.gz KVFZMTHHXCJXEX-JKSUJKDBSA-N 2 0 359.474 0.888 20 0 FCADRP CC1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000892058346 1171539470 /nfs/dbraw/zinc/53/94/70/1171539470.db2.gz XOEVKNCCWQLSKO-QGZVFWFLSA-N 2 0 367.538 0.472 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C[C@H]21 ZINC000972151859 1171804735 /nfs/dbraw/zinc/80/47/35/1171804735.db2.gz HLFDAWBFUNWFCT-BZUAXINKSA-N 2 0 359.474 0.884 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022746226 1171852606 /nfs/dbraw/zinc/85/26/06/1171852606.db2.gz JFRPJUADWIKARP-MTHXSQLBSA-N 2 0 370.497 0.847 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000989066190 1192669873 /nfs/dbraw/zinc/66/98/73/1192669873.db2.gz WXHUNOBGWCZITC-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000989116990 1192688951 /nfs/dbraw/zinc/68/89/51/1192688951.db2.gz CIIIWRRERYWSIX-XOKHGSTOSA-N 2 0 371.441 0.384 20 0 FCADRP CN(C(=O)CC(O)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000537227324 1192788763 /nfs/dbraw/zinc/78/87/63/1192788763.db2.gz AEPYMXAGQCXCOF-HZPDHXFCSA-N 2 0 368.522 0.233 20 0 FCADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897863617 1192848806 /nfs/dbraw/zinc/84/88/06/1192848806.db2.gz GAPNKZPUBYJPPK-RBUKOAKNSA-N 2 0 359.470 0.243 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001691567131 1192885579 /nfs/dbraw/zinc/88/55/79/1192885579.db2.gz UWJXTPZTYNWOML-OWCLPIDISA-N 2 0 357.520 0.296 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001087236741 1179070010 /nfs/dbraw/zinc/07/00/10/1179070010.db2.gz JLMYTSCIJHVZCI-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444880 1179747751 /nfs/dbraw/zinc/74/77/51/1179747751.db2.gz ZEPDSAZXTAELJL-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211615922 1179986718 /nfs/dbraw/zinc/98/67/18/1179986718.db2.gz MZCQECBUEDQSMP-DLBZAZTESA-N 2 0 358.486 0.801 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211615909 1179986734 /nfs/dbraw/zinc/98/67/34/1179986734.db2.gz MJKRJRIOFJMDDR-YQVWRLOYSA-N 2 0 358.486 0.657 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1 ZINC000972639272 1180096438 /nfs/dbraw/zinc/09/64/38/1180096438.db2.gz YIZLGDBKTWCQFX-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]32)CCC1 ZINC000972640791 1180098974 /nfs/dbraw/zinc/09/89/74/1180098974.db2.gz RWUIKCMRSXUGDP-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000785184819 1180532153 /nfs/dbraw/zinc/53/21/53/1180532153.db2.gz BPXNXVAMHAAJKL-UHFFFAOYSA-N 2 0 373.501 0.930 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001112518306 1180835959 /nfs/dbraw/zinc/83/59/59/1180835959.db2.gz BTOYNRUNRVVIIB-YWZLYKJASA-N 2 0 362.518 0.825 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001112518382 1180836597 /nfs/dbraw/zinc/83/65/97/1180836597.db2.gz GSQDANUWHMQANP-FTRWYGJKSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518422 1180837072 /nfs/dbraw/zinc/83/70/72/1180837072.db2.gz IGVIKOXWNHNNDK-KSSFIOAISA-N 2 0 361.494 0.270 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892430549 1180871277 /nfs/dbraw/zinc/87/12/77/1180871277.db2.gz KVMPJDSTJQIRCL-BZSNNMDCSA-N 2 0 367.538 0.600 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892497738 1181352667 /nfs/dbraw/zinc/35/26/67/1181352667.db2.gz WMCRHHMCJPRNOB-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939723 1181545281 /nfs/dbraw/zinc/54/52/81/1181545281.db2.gz OXJZPGVAFOJZTI-HKUYNNGSSA-N 2 0 363.506 0.512 20 0 FCADRP CO[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000892543397 1181845312 /nfs/dbraw/zinc/84/53/12/1181845312.db2.gz DPZQSEJCJGHDNM-KRWDZBQOSA-N 2 0 363.462 0.608 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994158 1181863155 /nfs/dbraw/zinc/86/31/55/1181863155.db2.gz HZZVIIBOQOEKSM-CGTJXYLNSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000659073613 1181985878 /nfs/dbraw/zinc/98/58/78/1181985878.db2.gz BIANKFJKURDOAA-IAGOWNOFSA-N 2 0 368.522 0.545 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892648120 1182000791 /nfs/dbraw/zinc/00/07/91/1182000791.db2.gz CAZWXYSDWISWMF-FRQCXROJSA-N 2 0 365.522 0.522 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000892650820 1182003859 /nfs/dbraw/zinc/00/38/59/1182003859.db2.gz QZBWYAUQXIGXDX-ULQDDVLXSA-N 2 0 365.522 0.807 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892756395 1182478041 /nfs/dbraw/zinc/47/80/41/1182478041.db2.gz OMRPBKSLEPWMPK-BBWFWOEESA-N 2 0 366.506 0.683 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892755425 1182479602 /nfs/dbraw/zinc/47/96/02/1182479602.db2.gz HSCPRHVTALDEIU-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000892774464 1182498938 /nfs/dbraw/zinc/49/89/38/1182498938.db2.gz RGXXJVTXCLOXHR-KRWDZBQOSA-N 2 0 366.506 0.651 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789597 1182507627 /nfs/dbraw/zinc/50/76/27/1182507627.db2.gz QSPLEWHITACAAC-DLBZAZTESA-N 2 0 359.474 0.197 20 0 FCADRP Cn1cc(CN2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)cn1 ZINC001083284179 1182517793 /nfs/dbraw/zinc/51/77/93/1182517793.db2.gz VLQAUQOOZISXFT-ZWKOTPCHSA-N 2 0 361.490 0.708 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000892883394 1182562225 /nfs/dbraw/zinc/56/22/25/1182562225.db2.gz CUHIXPVXUYRPIV-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001112522824 1182614917 /nfs/dbraw/zinc/61/49/17/1182614917.db2.gz PHWUMOBQXCKIIJ-LNLFQRSKSA-N 2 0 363.506 0.414 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523025 1182627116 /nfs/dbraw/zinc/62/71/16/1182627116.db2.gz YPYSDQJJDVTDTM-DEYYWGMASA-N 2 0 367.494 0.001 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054421 1182870128 /nfs/dbraw/zinc/87/01/28/1182870128.db2.gz WWHGCLBDOVITAY-KRWDZBQOSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001481231697 1182926763 /nfs/dbraw/zinc/92/67/63/1182926763.db2.gz LZDYHYFEGIGVSJ-YNEHKIRRSA-N 2 0 353.492 0.858 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104811902 1182933203 /nfs/dbraw/zinc/93/32/03/1182933203.db2.gz JFQLCAIDJKOZBN-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104848728 1182954880 /nfs/dbraw/zinc/95/48/80/1182954880.db2.gz VDQOIXWHHYRIQM-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104874257 1182970382 /nfs/dbraw/zinc/97/03/82/1182970382.db2.gz QQJJTPAEESUIMH-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP Cc1nccnc1C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908343 1182990810 /nfs/dbraw/zinc/99/08/10/1182990810.db2.gz SOIDQPWYMATBEO-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP CCCC[C@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104908301 1182990915 /nfs/dbraw/zinc/99/09/15/1182990915.db2.gz QMWOFKYSPHUWLN-ZACQAIPSSA-N 2 0 370.538 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104908255 1182991160 /nfs/dbraw/zinc/99/11/60/1182991160.db2.gz OVQYLIPBXSDGAW-SJLPKXTDSA-N 2 0 365.522 0.615 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104917219 1182992108 /nfs/dbraw/zinc/99/21/08/1182992108.db2.gz WXAVAVDWEINDBL-HUUCEWRRSA-N 2 0 361.490 0.924 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001104927888 1183003575 /nfs/dbraw/zinc/00/35/75/1183003575.db2.gz ZCZSXXJMPQFKHA-QLFBSQMISA-N 2 0 369.510 0.376 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974224659 1183059959 /nfs/dbraw/zinc/05/99/59/1183059959.db2.gz AHXNHNPKGSZNJF-NQNKBUKLSA-N 2 0 366.506 0.343 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014482 1183069319 /nfs/dbraw/zinc/06/93/19/1183069319.db2.gz RSTRHOBTNFLTMR-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)C1 ZINC001105042266 1183089538 /nfs/dbraw/zinc/08/95/38/1183089538.db2.gz UKZMINLUYGWLOA-KURKYZTESA-N 2 0 363.506 0.678 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1 ZINC000974635476 1183398189 /nfs/dbraw/zinc/39/81/89/1183398189.db2.gz VUBAFCHRUPNGRO-SOLBZPMBSA-N 2 0 367.453 0.959 20 0 FCADRP COCc1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)n1 ZINC001112523499 1183412432 /nfs/dbraw/zinc/41/24/32/1183412432.db2.gz XGEQHZWWJHKIAI-KSSFIOAISA-N 2 0 365.478 0.886 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](CNCc3noc(C4CC4)n3)C2)O1 ZINC001026913476 1183489362 /nfs/dbraw/zinc/48/93/62/1183489362.db2.gz AGNQDCZEBUDSRJ-UMVBOHGHSA-N 2 0 363.462 0.604 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC000975214433 1183777214 /nfs/dbraw/zinc/77/72/14/1183777214.db2.gz ASUIORBNZYUVRJ-LZLYRXPVSA-N 2 0 362.518 0.872 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666411 1185924401 /nfs/dbraw/zinc/92/44/01/1185924401.db2.gz AZCHZBDDIDCISN-ZWKOTPCHSA-N 2 0 356.474 0.851 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000909399783 1186007130 /nfs/dbraw/zinc/00/71/30/1186007130.db2.gz DKBOVBADPRVFLT-UHFFFAOYSA-N 2 0 367.582 0.935 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCNC4=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282675 1186696913 /nfs/dbraw/zinc/69/69/13/1186696913.db2.gz FFBRAKGFHFPBBA-STNJDDFNSA-N 2 0 362.518 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211713497 1186698749 /nfs/dbraw/zinc/69/87/49/1186698749.db2.gz NMYMEOFCIJXNGP-RBUKOAKNSA-N 2 0 363.502 0.921 20 0 FCADRP O=C(C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1)NC1CC1 ZINC001211722335 1187469976 /nfs/dbraw/zinc/46/99/76/1187469976.db2.gz GFIQQCXREHZKJJ-RBUKOAKNSA-N 2 0 370.497 0.945 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cn1 ZINC000893871301 1187519536 /nfs/dbraw/zinc/51/95/36/1187519536.db2.gz JJKVTRLNZOXNGK-CVEARBPZSA-N 2 0 359.474 0.730 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3nc(C4CC4)nn3C)C2)CC[N@@H+]1C ZINC001028548437 1187601081 /nfs/dbraw/zinc/60/10/81/1187601081.db2.gz AKCHJFJBEKYISG-IJEWVQPXSA-N 2 0 360.506 0.971 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001270059951 1187983503 /nfs/dbraw/zinc/98/35/03/1187983503.db2.gz BREJRJJAFLRUCP-HGKCTWBKSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)C[NH+]2CCCCC2)C3)CC1 ZINC001270061680 1187985550 /nfs/dbraw/zinc/98/55/50/1187985550.db2.gz MQBFZIQORBJHPS-OXQOHEQNSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2[C@H]3CC[C@@H]2CN(C(=O)C[NH+]2CCCC2)C3)CC1 ZINC001270095903 1188004746 /nfs/dbraw/zinc/00/47/46/1188004746.db2.gz PJGKBMRQZBPOJD-HGKCTWBKSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000550016772 1188163608 /nfs/dbraw/zinc/16/36/08/1188163608.db2.gz FGUNKYPRHXGOJN-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030737 1188213190 /nfs/dbraw/zinc/21/31/90/1188213190.db2.gz MQWNRXLZXPHMRD-QAPCUYQASA-N 2 0 374.485 0.767 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000785400006 1188221003 /nfs/dbraw/zinc/22/10/03/1188221003.db2.gz SNTVPNMBEAORMZ-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550093448 1188223317 /nfs/dbraw/zinc/22/33/17/1188223317.db2.gz FHORMSGCPZIDLH-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601915 1188235392 /nfs/dbraw/zinc/23/53/92/1188235392.db2.gz NMAQPWMMYZRUQI-SJORKVTESA-N 2 0 367.538 0.253 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001270666620 1188244983 /nfs/dbraw/zinc/24/49/83/1188244983.db2.gz CQCGCFCVMYCAHF-ZIFCJYIRSA-N 2 0 360.502 0.802 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1=O ZINC001270710183 1188277705 /nfs/dbraw/zinc/27/77/05/1188277705.db2.gz AVIBLRZEHAZTNF-LJQANCHMSA-N 2 0 355.442 0.961 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000937415387 1188302455 /nfs/dbraw/zinc/30/24/55/1188302455.db2.gz JQISWUFVDQUSIG-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1=O ZINC001270845324 1188334423 /nfs/dbraw/zinc/33/44/23/1188334423.db2.gz YFYTXAGBUGWFNC-LJQANCHMSA-N 2 0 355.442 0.961 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)N1CC[NH+](C)CC1 ZINC000550381480 1188344139 /nfs/dbraw/zinc/34/41/39/1188344139.db2.gz KJWMLRYOPSHPQR-KRWDZBQOSA-N 2 0 369.554 0.173 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC001029313645 1189373681 /nfs/dbraw/zinc/37/36/81/1189373681.db2.gz IXAFJNNSDZAZOY-MDMSPXHWSA-N 2 0 362.518 0.918 20 0 FCADRP CCn1nc(C)c(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075809110 1189464098 /nfs/dbraw/zinc/46/40/98/1189464098.db2.gz TVKJVQBSRIFZLP-KYHPRHEASA-N 2 0 360.506 0.979 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000550457946 1189503337 /nfs/dbraw/zinc/50/33/37/1189503337.db2.gz IVFWZCQRXNCREC-KRWDZBQOSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000550458724 1189521365 /nfs/dbraw/zinc/52/13/65/1189521365.db2.gz VZYZQGBXBUVAFW-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087659518 1189712095 /nfs/dbraw/zinc/71/20/95/1189712095.db2.gz LWMUYDNUFILQKC-LSDHHAIUSA-N 2 0 369.429 0.539 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001087799361 1189829152 /nfs/dbraw/zinc/82/91/52/1189829152.db2.gz QBRSLDHRNCFNLP-OWCLPIDISA-N 2 0 358.490 0.830 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908866 1189895167 /nfs/dbraw/zinc/89/51/67/1189895167.db2.gz PQJYLMMUUWNTSP-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972357 1190034004 /nfs/dbraw/zinc/03/40/04/1190034004.db2.gz YUKIOYXSSDDKAZ-VSZNYVQBSA-N 2 0 360.506 0.789 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467450 1190062444 /nfs/dbraw/zinc/06/24/44/1190062444.db2.gz DGOIWCWVXOQYBR-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP CN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000896468582 1190063847 /nfs/dbraw/zinc/06/38/47/1190063847.db2.gz QABZAXPMKVCSFS-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cnnn3C)C[C@H]2C1 ZINC001087986262 1190115492 /nfs/dbraw/zinc/11/54/92/1190115492.db2.gz DGLHZKUZSILRHK-RYRKJORJSA-N 2 0 360.506 0.970 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986444 1190116157 /nfs/dbraw/zinc/11/61/57/1190116157.db2.gz LLLJYNYARFXJRJ-FGTMMUONSA-N 2 0 360.506 0.933 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993746 1190144975 /nfs/dbraw/zinc/14/49/75/1190144975.db2.gz AWTPWPSZPFJSSI-SOLBZPMBSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)CCc1cncn1C ZINC000984898311 1190229609 /nfs/dbraw/zinc/22/96/09/1190229609.db2.gz IDDUMSWRJLPERS-DLBZAZTESA-N 2 0 361.490 0.944 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088023323 1190246505 /nfs/dbraw/zinc/24/65/05/1190246505.db2.gz YMFADCNNJOJOMB-FGTMMUONSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064206 1190340763 /nfs/dbraw/zinc/34/07/63/1190340763.db2.gz RNONDFYNUWAHPL-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000985066350 1190497899 /nfs/dbraw/zinc/49/78/99/1190497899.db2.gz REZGPCMKYPABRA-GVDBMIGSSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000985164414 1190661679 /nfs/dbraw/zinc/66/16/79/1190661679.db2.gz PEBRAWQPPNMRLM-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)[NH+](C)C ZINC000986332347 1190957980 /nfs/dbraw/zinc/95/79/80/1190957980.db2.gz FWDWHUGQPBYBHC-FGTMMUONSA-N 2 0 364.534 0.975 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000986334775 1190958744 /nfs/dbraw/zinc/95/87/44/1190958744.db2.gz ZASDLCWYFHMHOP-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1)[NH+](C)C ZINC000986424125 1190986692 /nfs/dbraw/zinc/98/66/92/1190986692.db2.gz AZATUFLLWCRYBR-SQNIBIBYSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1)C(N)=O ZINC001218388960 1224157322 /nfs/dbraw/zinc/15/73/22/1224157322.db2.gz WCNYJPAXGBJOAS-OSMBCOQSSA-N 2 0 362.474 0.312 20 0 FCADRP COC(=O)[C@H](Cc1ccc(O[C@H]2C[NH2+][C@H]2C)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001218387670 1224157441 /nfs/dbraw/zinc/15/74/41/1224157441.db2.gz QATLOMYLIAHOGV-STECZYCISA-N 2 0 363.458 0.609 20 0 FCADRP C[NH+](C)C1CCC([NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001168316573 1193746913 /nfs/dbraw/zinc/74/69/13/1193746913.db2.gz ZRWQMZDMQCNERS-DQPZFDDXSA-N 2 0 362.474 0.367 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)nc2)CC1 ZINC001218516001 1224166234 /nfs/dbraw/zinc/16/62/34/1224166234.db2.gz QCWUBOWSYLGZPI-MRXNPFEDSA-N 3 0 358.490 0.646 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691621466 1193807455 /nfs/dbraw/zinc/80/74/55/1193807455.db2.gz WQYCLGBEIVRRJI-HZSPNIEDSA-N 2 0 367.494 0.047 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000550901433 1193819358 /nfs/dbraw/zinc/81/93/58/1193819358.db2.gz HTVKGXUIDQZOTL-WBVHZDCISA-N 2 0 362.518 0.777 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000550945797 1193821918 /nfs/dbraw/zinc/82/19/18/1193821918.db2.gz GVTQVGXBJCTZQV-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551166712 1193838563 /nfs/dbraw/zinc/83/85/63/1193838563.db2.gz USTAPXASBZPTLH-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636735 1193843267 /nfs/dbraw/zinc/84/32/67/1193843267.db2.gz CFLDHIJPSFUMDF-VXIBKDFQSA-N 2 0 367.534 0.819 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218558147 1224172372 /nfs/dbraw/zinc/17/23/72/1224172372.db2.gz VNRUXFAKNISDTK-IXDOHACOSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694707 1193867209 /nfs/dbraw/zinc/86/72/09/1193867209.db2.gz WMHSNIUZNGZOJI-SJORKVTESA-N 3 0 369.554 0.175 20 0 FCADRP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)no1 ZINC001075976081 1193890474 /nfs/dbraw/zinc/89/04/74/1193890474.db2.gz IKSSZMJJFLEKQD-VBNZEHGJSA-N 2 0 361.446 0.113 20 0 FCADRP CC(C)[C@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105666361 1193890495 /nfs/dbraw/zinc/89/04/95/1193890495.db2.gz DXFBYDPAUHSOBN-WOCWXWTJSA-N 2 0 365.518 0.431 20 0 FCADRP Cc1cnc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756962 1193890840 /nfs/dbraw/zinc/89/08/40/1193890840.db2.gz BNNLALJEZLBIBJ-AHZKFYHPSA-N 2 0 371.485 0.727 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC1CCOCC1 ZINC001088757073 1193891410 /nfs/dbraw/zinc/89/14/10/1193891410.db2.gz HKLKWJZTFQEIQW-LKGSSIFKSA-N 2 0 363.502 0.855 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1Cc1cncn1C ZINC001088757157 1193891672 /nfs/dbraw/zinc/89/16/72/1193891672.db2.gz LMWGYCSXNRUZRS-GHONMVHDSA-N 2 0 359.474 0.362 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000552191194 1193914177 /nfs/dbraw/zinc/91/41/77/1193914177.db2.gz XBNHNDOHCZFAJV-PVAVHDDUSA-N 2 0 368.522 0.327 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552750409 1193949857 /nfs/dbraw/zinc/94/98/57/1193949857.db2.gz XHFSBEGBOOSXAO-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105668647 1193953622 /nfs/dbraw/zinc/95/36/22/1193953622.db2.gz XZSMQCHDSNDAIR-VVWQDTPRSA-N 2 0 368.522 0.170 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000552969876 1193962198 /nfs/dbraw/zinc/96/21/98/1193962198.db2.gz VRUMNDPZSHTEOM-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1=O ZINC000553168790 1193976204 /nfs/dbraw/zinc/97/62/04/1193976204.db2.gz VJPNPGKSOHDWGD-KRWDZBQOSA-N 2 0 358.486 0.739 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735637 1194017611 /nfs/dbraw/zinc/01/76/11/1194017611.db2.gz WPIJLSGHECXZTF-IRXDYDNUSA-N 2 0 366.506 0.014 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001218639802 1224186988 /nfs/dbraw/zinc/18/69/88/1224186988.db2.gz DEQDSQNZOYCVBT-KBXCAEBGSA-N 2 0 352.398 0.075 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)Nc3cnn(C4C[NH2+]C4)c3)cc2)CC1 ZINC001218642736 1224187818 /nfs/dbraw/zinc/18/78/18/1224187818.db2.gz ZYEYMDZNJZBPOH-UHFFFAOYSA-N 2 0 368.441 0.843 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001218640845 1224188204 /nfs/dbraw/zinc/18/82/04/1224188204.db2.gz MEMWOPIICGBKID-IFXJQAMLSA-N 2 0 352.442 0.692 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000842230496 1194108935 /nfs/dbraw/zinc/10/89/35/1194108935.db2.gz JIUJJIVJANLHFW-SFHVURJKSA-N 2 0 358.486 0.891 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000842267287 1194143919 /nfs/dbraw/zinc/14/39/19/1194143919.db2.gz WGGWGEAXMJVATD-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1C[NH2+]Cc2ccnn2C1)C1CC[NH2+]CC1 ZINC001218694659 1224196986 /nfs/dbraw/zinc/19/69/86/1224196986.db2.gz CDONJNIIPYMLSA-ZDUSSCGKSA-N 2 0 355.446 0.365 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1C[NH2+]CC12CCOCC2)C1CC[NH2+]CC1 ZINC001218695008 1224197789 /nfs/dbraw/zinc/19/77/89/1224197789.db2.gz IMIKAEQMKPRTMT-OAHLLOKOSA-N 2 0 359.474 0.765 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696146 1224198243 /nfs/dbraw/zinc/19/82/43/1224198243.db2.gz PIPUAHWLZHMBOQ-INIZCTEOSA-N 2 0 362.478 0.383 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705019 1224200778 /nfs/dbraw/zinc/20/07/78/1224200778.db2.gz ILFPKUKRGAFHEU-GJZGRUSLSA-N 2 0 363.462 0.612 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001218710074 1224201972 /nfs/dbraw/zinc/20/19/72/1224201972.db2.gz POOUTMTXHJAKOY-CYBMUJFWSA-N 2 0 360.393 0.772 20 0 FCADRP CC(=O)N1CCC(n2nccc2NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001218732822 1224206748 /nfs/dbraw/zinc/20/67/48/1224206748.db2.gz BBQYOXTTZNVQTG-MRXNPFEDSA-N 2 0 374.489 0.879 20 0 FCADRP O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218736582 1224207346 /nfs/dbraw/zinc/20/73/46/1224207346.db2.gz MUQIURKULLYCNJ-AWEZNQCLSA-N 2 0 356.430 0.371 20 0 FCADRP CC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794354 1224208163 /nfs/dbraw/zinc/20/81/63/1224208163.db2.gz HRIHURKQSISFCJ-ZXYWRSMDSA-N 2 0 367.490 0.554 20 0 FCADRP Cc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n(CC2CCOCC2)n1 ZINC001218754835 1224213513 /nfs/dbraw/zinc/21/35/13/1224213513.db2.gz ZIPFZTHUOMMXRU-MRXNPFEDSA-N 2 0 364.494 0.307 20 0 FCADRP COC(=O)c1cc(-c2ccn(C(=O)[C@@H](N)CC[NH3+])c(=N)c2N)ccc1C ZINC001218771029 1224217273 /nfs/dbraw/zinc/21/72/73/1224217273.db2.gz MNHOHYRVQQUCJO-AWEZNQCLSA-N 2 0 357.414 0.628 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076418492 1194465573 /nfs/dbraw/zinc/46/55/73/1194465573.db2.gz ADAPYYWURIFHIB-RCCFBDPRSA-N 2 0 362.518 0.870 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462365 1194507381 /nfs/dbraw/zinc/50/73/81/1194507381.db2.gz RSAVGPAAHLTQDE-FGTMMUONSA-N 2 0 360.506 0.769 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)COCC(C)C)C[C@@H]21 ZINC001218905752 1224252808 /nfs/dbraw/zinc/25/28/08/1224252808.db2.gz XYNIMRMUZWVTKO-OKZBNKHCSA-N 2 0 371.522 0.273 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H](O)COC(C)(C)C)C2 ZINC001276798474 1224250451 /nfs/dbraw/zinc/25/04/51/1224250451.db2.gz DKCHPUHECYLLIL-VQIMIIECSA-N 2 0 371.522 0.275 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218918625 1224256862 /nfs/dbraw/zinc/25/68/62/1224256862.db2.gz IDNHAURHOUQNTD-IPMKNSEASA-N 2 0 361.486 0.973 20 0 FCADRP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218927698 1224261091 /nfs/dbraw/zinc/26/10/91/1224261091.db2.gz KVPVZCVEMVGGJF-CYBMUJFWSA-N 2 0 363.393 0.764 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218938562 1224266185 /nfs/dbraw/zinc/26/61/85/1224266185.db2.gz SQPCVQRLRKSOIT-INIZCTEOSA-N 2 0 362.474 0.572 20 0 FCADRP COC(=O)c1n[nH]c2cccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)c21 ZINC001218933013 1224263439 /nfs/dbraw/zinc/26/34/39/1224263439.db2.gz VYTQGBSNNAGREG-LLVKDONJSA-N 2 0 360.418 0.038 20 0 FCADRP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)C1 ZINC001083563136 1195219447 /nfs/dbraw/zinc/21/94/47/1195219447.db2.gz APTHYUBWHPFOIH-BBWFWOEESA-N 2 0 365.518 0.839 20 0 FCADRP COc1cccc(CN2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300742 /nfs/dbraw/zinc/30/07/42/1195300742.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 0 363.458 0.076 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219004251 1224284625 /nfs/dbraw/zinc/28/46/25/1224284625.db2.gz CETGFADTTGMFIV-IXDOHACOSA-N 2 0 366.506 0.251 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CC[NH2+]CC1 ZINC000904300167 1195530378 /nfs/dbraw/zinc/53/03/78/1195530378.db2.gz XPZRXRUJAFVSOJ-MRXNPFEDSA-N 2 0 361.490 0.333 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)cc2C1 ZINC000904509195 1195540282 /nfs/dbraw/zinc/54/02/82/1195540282.db2.gz DORPBMVIYTWPEA-JLSDUUJJSA-N 2 0 359.474 0.961 20 0 FCADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C[C@@]1(O)CCOC1 ZINC000905113624 1195575441 /nfs/dbraw/zinc/57/54/41/1195575441.db2.gz IJSSIBCWNNVCLI-PMACEKPBSA-N 2 0 364.486 0.635 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591766 1195593201 /nfs/dbraw/zinc/59/32/01/1195593201.db2.gz VWAXTQPCEKLWOT-JQHSSLGASA-N 2 0 358.442 0.987 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(OC)cc(OC)n1 ZINC000906487766 1195632606 /nfs/dbraw/zinc/63/26/06/1195632606.db2.gz HIRCXOOTORLSPL-AWEZNQCLSA-N 2 0 365.478 0.982 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000906798922 1195667072 /nfs/dbraw/zinc/66/70/72/1195667072.db2.gz XMFVKWYDPCHEDX-HNNXBMFYSA-N 2 0 364.494 0.621 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000906798923 1195667352 /nfs/dbraw/zinc/66/73/52/1195667352.db2.gz XMFVKWYDPCHEDX-OAHLLOKOSA-N 2 0 364.494 0.621 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155827 1195681676 /nfs/dbraw/zinc/68/16/76/1195681676.db2.gz LTNQNSZZSVMSAQ-PMACEKPBSA-N 2 0 374.529 0.479 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236562 1195734847 /nfs/dbraw/zinc/73/48/47/1195734847.db2.gz GRZZMQABBWJWEV-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)OC2(CC[NH2+]CC2)C1 ZINC001219028242 1224301183 /nfs/dbraw/zinc/30/11/83/1224301183.db2.gz WKVLLEXUZVBUGI-KRWDZBQOSA-N 2 0 360.458 0.560 20 0 FCADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1)OC ZINC001083633022 1195806104 /nfs/dbraw/zinc/80/61/04/1195806104.db2.gz BYMMALRMWGDHQT-OIISXLGYSA-N 2 0 359.430 0.467 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842434 1195849381 /nfs/dbraw/zinc/84/93/81/1195849381.db2.gz BRAXAQZVIMPNEM-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000910984950 1195873225 /nfs/dbraw/zinc/87/32/25/1195873225.db2.gz QXNLZKFAVCAKRH-LTIDMASMSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911066100 1195884801 /nfs/dbraw/zinc/88/48/01/1195884801.db2.gz GMFGINGPURDNKM-QZTJIDSGSA-N 2 0 358.486 0.964 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000911078829 1195886805 /nfs/dbraw/zinc/88/68/05/1195886805.db2.gz TUCVNVRTAALECK-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911127706 1195893543 /nfs/dbraw/zinc/89/35/43/1195893543.db2.gz YDPYBKMTWXEQAL-NVXWUHKLSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000911145069 1195897756 /nfs/dbraw/zinc/89/77/56/1195897756.db2.gz GYXYBMVWKLHNRD-SFHVURJKSA-N 2 0 373.501 0.811 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000911187112 1195904577 /nfs/dbraw/zinc/90/45/77/1195904577.db2.gz MGZOHVDYYAPKFD-ROUUACIJSA-N 2 0 358.486 0.822 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000911168308 1195908132 /nfs/dbraw/zinc/90/81/32/1195908132.db2.gz XNTKPJBKPKDKKA-FHLIZLRMSA-N 2 0 358.486 0.745 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219052116 1224322064 /nfs/dbraw/zinc/32/20/64/1224322064.db2.gz GPVCYULHRRQEII-IXDOHACOSA-N 2 0 364.490 0.053 20 0 FCADRP [NH3+]Cc1ccc2nc(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cn2c1 ZINC000911705595 1196309136 /nfs/dbraw/zinc/30/91/36/1196309136.db2.gz NPNATGFRNDEIRM-HNNXBMFYSA-N 2 0 370.457 0.077 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654278 1196346657 /nfs/dbraw/zinc/34/66/57/1196346657.db2.gz GHNFMFDJAGGLPW-TUKJNDCMSA-N 2 0 371.481 0.254 20 0 FCADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1)OC ZINC001083669172 1196392713 /nfs/dbraw/zinc/39/27/13/1196392713.db2.gz WMUOVTUTEDXEGZ-UHOSZYNNSA-N 2 0 363.502 0.991 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592547193 1196566155 /nfs/dbraw/zinc/56/61/55/1196566155.db2.gz SKRWFLQMEAHABA-ZIAGYGMSSA-N 2 0 362.478 0.179 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)C1 ZINC000592964453 1196596811 /nfs/dbraw/zinc/59/68/11/1196596811.db2.gz GVJVUWXNYSTBBA-CVEARBPZSA-N 2 0 360.506 0.571 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000592964593 1196597555 /nfs/dbraw/zinc/59/75/55/1196597555.db2.gz SIJIRTRPOYNUTK-SFHVURJKSA-N 2 0 374.485 0.411 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000592964542 1196597581 /nfs/dbraw/zinc/59/75/81/1196597581.db2.gz RHFIGBPGPAWEJA-IAGOWNOFSA-N 2 0 360.458 0.657 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958945 1196601029 /nfs/dbraw/zinc/60/10/29/1196601029.db2.gz AGSTZVGYQCHDBK-LSDHHAIUSA-N 2 0 360.506 0.618 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000594158994 1196693395 /nfs/dbraw/zinc/69/33/95/1196693395.db2.gz SSXMIRGUOAFTRF-INIZCTEOSA-N 2 0 369.554 0.811 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001105945079 1196749126 /nfs/dbraw/zinc/74/91/26/1196749126.db2.gz KGMUQXTUCLKTAQ-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088898661 1196830552 /nfs/dbraw/zinc/83/05/52/1196830552.db2.gz PMHUZRLDIAZAPK-IKGGRYGDSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088939829 1196842607 /nfs/dbraw/zinc/84/26/07/1196842607.db2.gz MAFFYELNMBRPGU-CVEARBPZSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088981254 1196856426 /nfs/dbraw/zinc/85/64/26/1196856426.db2.gz KGHRYXACSDGMMU-DYVFJYSZSA-N 2 0 355.442 0.841 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038818 1196872521 /nfs/dbraw/zinc/87/25/21/1196872521.db2.gz MEQDPAMURYKDDC-KFWWJZLASA-N 2 0 363.510 0.501 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060977 1196879711 /nfs/dbraw/zinc/87/97/11/1196879711.db2.gz QSVPPMUXAOURMF-PMPSAXMXSA-N 2 0 364.490 0.589 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143178 1197299166 /nfs/dbraw/zinc/29/91/66/1197299166.db2.gz VAOCXGLXTPOHSX-NXHRZFHOSA-N 2 0 364.534 0.929 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)C1 ZINC000992934258 1197614062 /nfs/dbraw/zinc/61/40/62/1197614062.db2.gz FLUSIWOZQANGSE-JTDSTZFVSA-N 2 0 360.502 0.341 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992954220 1197629339 /nfs/dbraw/zinc/62/93/39/1197629339.db2.gz VGWBAFVVIYPQAP-ABSDTBQOSA-N 2 0 362.518 0.873 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106210951 1197705372 /nfs/dbraw/zinc/70/53/72/1197705372.db2.gz JTTUWSAMVQCIMR-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249779 1197784171 /nfs/dbraw/zinc/78/41/71/1197784171.db2.gz PMWBXOJGLJDDEQ-DJIMGWMZSA-N 2 0 367.538 0.718 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1)[NH+](C)C ZINC000993072086 1197789372 /nfs/dbraw/zinc/78/93/72/1197789372.db2.gz KAWYYSCPCDQAHX-HLIPFELVSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1)[NH+](C)C ZINC000993074565 1197794082 /nfs/dbraw/zinc/79/40/82/1197794082.db2.gz VHFHVYPSSPCUTR-FRQCXROJSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667526 1197801913 /nfs/dbraw/zinc/80/19/13/1197801913.db2.gz HGTLRSLTSZGCAU-OKZBNKHCSA-N 2 0 365.522 0.271 20 0 FCADRP COC(=O)c1nn(C)c2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc21 ZINC001219367493 1224443930 /nfs/dbraw/zinc/44/39/30/1224443930.db2.gz PSRQWIGRCRGMOZ-CQSZACIVSA-N 2 0 374.445 0.049 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000735591547 1197867745 /nfs/dbraw/zinc/86/77/45/1197867745.db2.gz FERYSEOGNRDGQJ-HNNXBMFYSA-N 2 0 373.501 0.976 20 0 FCADRP C[C@@]12CN(C(=O)C[NH+]3CCCC3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993155758 1197898909 /nfs/dbraw/zinc/89/89/09/1197898909.db2.gz LPXYEYGFPINGFH-APWZRJJASA-N 2 0 360.502 0.485 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)CC1 ZINC001273334296 1197913819 /nfs/dbraw/zinc/91/38/19/1197913819.db2.gz WNCQYJCRWVLDSM-IAGOWNOFSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C2(C(=O)N3CC[C@H](C[NH+](C)C)C3)CCC2)C1 ZINC000762217501 1197945304 /nfs/dbraw/zinc/94/53/04/1197945304.db2.gz ARJGTHZKFKSWQJ-IAGOWNOFSA-N 2 0 364.534 0.977 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106471578 1197954340 /nfs/dbraw/zinc/95/43/40/1197954340.db2.gz ASTJZASOXSNEBR-HLLBOEOZSA-N 2 0 360.502 0.962 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106621378 1198037829 /nfs/dbraw/zinc/03/78/29/1198037829.db2.gz IHRYNWNYTFFUBV-NXHRZFHOSA-N 2 0 363.506 0.270 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001106623527 1198038276 /nfs/dbraw/zinc/03/82/76/1198038276.db2.gz UODZCTPHXYQHPM-BPLDGKMQSA-N 2 0 365.478 0.946 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C[NH+]3CCCCC3)C1)C2=O ZINC000742168469 1198154239 /nfs/dbraw/zinc/15/42/39/1198154239.db2.gz AFQJHAQIVDCXFG-INIZCTEOSA-N 2 0 363.506 0.768 20 0 FCADRP CC(C)CNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000742267908 1198169478 /nfs/dbraw/zinc/16/94/78/1198169478.db2.gz XDRJPLZAOQNZNH-INIZCTEOSA-N 2 0 366.506 0.550 20 0 FCADRP CN1CCO[C@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181199351 1198284614 /nfs/dbraw/zinc/28/46/14/1198284614.db2.gz KEROICILMDTLHL-GOSISDBHSA-N 2 0 368.522 0.851 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC001086369798 1198331157 /nfs/dbraw/zinc/33/11/57/1198331157.db2.gz AZKDPSMFKCVULE-RKYPPNDESA-N 2 0 362.518 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001086371172 1198332494 /nfs/dbraw/zinc/33/24/94/1198332494.db2.gz UJLCFCPLHUGMHY-LUKYLMHMSA-N 2 0 366.506 0.060 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219489406 1224485724 /nfs/dbraw/zinc/48/57/24/1224485724.db2.gz OZOGODJZWJMNSB-WBVHZDCISA-N 2 0 362.474 0.744 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1C[NH2+]CCN1 ZINC001219489193 1224485839 /nfs/dbraw/zinc/48/58/39/1224485839.db2.gz KXYRWPPQLRVLFJ-QGZVFWFLSA-N 2 0 361.490 0.726 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498346 1224487638 /nfs/dbraw/zinc/48/76/38/1224487638.db2.gz WTMJCOMIAZWEOK-KPZWWZAWSA-N 2 0 370.413 0.110 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501498 1224489265 /nfs/dbraw/zinc/48/92/65/1224489265.db2.gz VMUNTCZVPMRZMJ-WPZAJUNFSA-N 2 0 371.441 0.039 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501225 1224489444 /nfs/dbraw/zinc/48/94/44/1224489444.db2.gz RRQZPPBDCQCCTD-KCJDHBRGSA-N 2 0 362.405 0.907 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CC[NH2+]C[C@H]1F)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503142 1224490581 /nfs/dbraw/zinc/49/05/81/1224490581.db2.gz BXEGAYCTIIXBNH-AJLCLMPTSA-N 2 0 362.405 0.765 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219537750 1224502746 /nfs/dbraw/zinc/50/27/46/1224502746.db2.gz PRLGLPUWBLERFZ-QCQGSNGOSA-N 2 0 360.458 0.951 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000745794298 1198945623 /nfs/dbraw/zinc/94/56/23/1198945623.db2.gz YORLYWIAYYPZJO-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP [NH3+][C@@H](CO)Cc1cncn1-c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001169075543 1199045155 /nfs/dbraw/zinc/04/51/55/1199045155.db2.gz SLLGDJVFURULAM-CYBMUJFWSA-N 2 0 358.446 0.608 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129337829 1199078852 /nfs/dbraw/zinc/07/88/52/1199078852.db2.gz ZJEGBNMTSLKGLQ-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617398 1224530046 /nfs/dbraw/zinc/53/00/46/1224530046.db2.gz MMOIVNPYZHSTFS-MJQMVNBJSA-N 2 0 365.449 0.503 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001219650090 1224545869 /nfs/dbraw/zinc/54/58/69/1224545869.db2.gz MBURNNJIRLJIMU-GLJUWKHASA-N 2 0 371.485 0.516 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001219720363 1224574048 /nfs/dbraw/zinc/57/40/48/1224574048.db2.gz KDDKWSMQFIAZHQ-DAYGRLMNSA-N 2 0 358.442 0.612 20 0 FCADRP C[C@]([NH3+])(CO)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723756 1224576334 /nfs/dbraw/zinc/57/63/34/1224576334.db2.gz RTZAXRPQLUOUIS-HKUYNNGSSA-N 3 0 360.502 0.314 20 0 FCADRP [NH3+][C@@H]1COC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729196 1224582075 /nfs/dbraw/zinc/58/20/75/1224582075.db2.gz QFCOMLYFXGPBAP-GBESFXJTSA-N 3 0 372.513 0.578 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737302 1224585551 /nfs/dbraw/zinc/58/55/51/1224585551.db2.gz SKEVJQOVQVHXGN-ROUUACIJSA-N 2 0 369.469 0.296 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NC[C@H]3CC4(C[NH2+]C4)CO3)cc2)CC1 ZINC001219739362 1224586622 /nfs/dbraw/zinc/58/66/22/1224586622.db2.gz MRGPDGMWJJMYSE-QGZVFWFLSA-N 2 0 372.469 0.358 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)cc1 ZINC001219743784 1224588868 /nfs/dbraw/zinc/58/88/68/1224588868.db2.gz LXSRPNCOGCHCEZ-HOTGVXAUSA-N 2 0 360.458 0.073 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129385798 1200108196 /nfs/dbraw/zinc/10/81/96/1200108196.db2.gz SDJLIBGMHPJZJF-CVEARBPZSA-N 2 0 366.510 0.634 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219753382 1224595713 /nfs/dbraw/zinc/59/57/13/1224595713.db2.gz HBEPYPZTYBSFIP-SJLPKXTDSA-N 2 0 368.481 0.655 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC21CC[NH2+]CC1 ZINC001219753404 1224595814 /nfs/dbraw/zinc/59/58/14/1224595814.db2.gz HHGPXJFMOAVUFO-ROUUACIJSA-N 2 0 370.497 0.508 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219754762 1224597240 /nfs/dbraw/zinc/59/72/40/1224597240.db2.gz YKCRTJJKGJAGHD-MSOLQXFVSA-N 3 0 354.498 0.986 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001109411643 1200252248 /nfs/dbraw/zinc/25/22/48/1200252248.db2.gz FVMDQRXKSCAXDE-NCOADZHNSA-N 2 0 358.490 0.971 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1 ZINC001219787909 1224613565 /nfs/dbraw/zinc/61/35/65/1224613565.db2.gz NDSAJPCWJQIFQV-QAPCUYQASA-N 2 0 369.469 0.383 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)C1CC1 ZINC001109735418 1200495011 /nfs/dbraw/zinc/49/50/11/1200495011.db2.gz FXMBADRCLJTNPB-MTSZKFMLSA-N 2 0 371.485 0.771 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796091 1224616100 /nfs/dbraw/zinc/61/61/00/1224616100.db2.gz MDMOTTQBXBKPRW-MRXNPFEDSA-N 3 0 368.522 0.768 20 0 FCADRP CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847768 1200559557 /nfs/dbraw/zinc/55/95/57/1200559557.db2.gz GMDYZJQXYUUMBS-LTIDMASMSA-N 2 0 364.490 0.051 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799711 1224618651 /nfs/dbraw/zinc/61/86/51/1224618651.db2.gz BBRBJMBRBXDGDO-DLBZAZTESA-N 2 0 360.502 0.767 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219800577 1224620232 /nfs/dbraw/zinc/62/02/32/1224620232.db2.gz KNDPJMPAMRACIZ-CRAIPNDOSA-N 2 0 371.481 0.954 20 0 FCADRP NC1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001219801352 1224621064 /nfs/dbraw/zinc/62/10/64/1224621064.db2.gz YFOXNAOYICYNHB-GOSISDBHSA-N 2 0 372.513 0.865 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219802735 1224622475 /nfs/dbraw/zinc/62/24/75/1224622475.db2.gz BEDPZSZRHBEVMF-HLIPFELVSA-N 2 0 370.497 0.597 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001109980708 1200666295 /nfs/dbraw/zinc/66/62/95/1200666295.db2.gz XUBWVCDCXOOBSV-BDXSIMOUSA-N 2 0 369.506 0.482 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812913 1224630079 /nfs/dbraw/zinc/63/00/79/1224630079.db2.gz KXKALKMSGFAMAJ-GNBUJSLZSA-N 2 0 359.470 0.676 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564052 1200797575 /nfs/dbraw/zinc/79/75/75/1200797575.db2.gz AZLINOITBANXIH-PXNSSMCTSA-N 2 0 365.518 0.964 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112567189 1200802387 /nfs/dbraw/zinc/80/23/87/1200802387.db2.gz BNCSUXITIRVXDY-KSSFIOAISA-N 2 0 367.494 0.132 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001112570692 1200803197 /nfs/dbraw/zinc/80/31/97/1200803197.db2.gz KIIHETIXFFMULZ-VDGAXYAQSA-N 2 0 362.518 0.827 20 0 FCADRP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)N1CCCC1 ZINC001112578977 1200817336 /nfs/dbraw/zinc/81/73/36/1200817336.db2.gz QDQPPRARBTZBBR-PXNSSMCTSA-N 2 0 362.518 0.923 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCCC3=O)C2)C1 ZINC001112579148 1200818417 /nfs/dbraw/zinc/81/84/17/1200818417.db2.gz YNOLWUBIXGXNOJ-UWVAXJGDSA-N 2 0 362.518 0.779 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112579021 1200818460 /nfs/dbraw/zinc/81/84/60/1200818460.db2.gz SOHCIFXDTKUJNT-PXNSSMCTSA-N 2 0 362.518 0.923 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787123100 1200869404 /nfs/dbraw/zinc/86/94/04/1200869404.db2.gz JZUFFDYDUHRIAZ-WBVHZDCISA-N 2 0 368.522 0.593 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001157322831 1200938527 /nfs/dbraw/zinc/93/85/27/1200938527.db2.gz ABMWZLDCDZKIIP-INIZCTEOSA-N 2 0 361.490 0.354 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219831783 1224643460 /nfs/dbraw/zinc/64/34/60/1224643460.db2.gz YDKZBESEWKHXDZ-KJWYOANISA-N 2 0 357.454 0.830 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834120 1224645118 /nfs/dbraw/zinc/64/51/18/1224645118.db2.gz OIXRJXPQJLYVAC-KPFFTGBYSA-N 2 0 361.486 0.685 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219838651 1224646886 /nfs/dbraw/zinc/64/68/86/1224646886.db2.gz SNZZVFBEJYNSAK-VELGLUOQSA-N 2 0 373.497 0.891 20 0 FCADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837757 1224646891 /nfs/dbraw/zinc/64/68/91/1224646891.db2.gz LQXDJKXNVRCAIT-BJLQDIEVSA-N 2 0 361.486 0.848 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847890 1224652797 /nfs/dbraw/zinc/65/27/97/1224652797.db2.gz SWSHJBKYJATSGI-QUSNUVHPSA-N 2 0 368.522 0.526 20 0 FCADRP CNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597472 1201139498 /nfs/dbraw/zinc/13/94/98/1201139498.db2.gz HIAGMFFCZSPGIY-ZWKOTPCHSA-N 2 0 370.497 0.945 20 0 FCADRP Cc1ccc([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)N2CCC[NH2+]CC2)cc1 ZINC001219856425 1224656396 /nfs/dbraw/zinc/65/63/96/1224656396.db2.gz LZDMJNCLERTISI-HCXYKTFWSA-N 2 0 358.486 0.434 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000793695449 1201257987 /nfs/dbraw/zinc/25/79/87/1201257987.db2.gz DDCXAQQDXOHTSK-MRXNPFEDSA-N 2 0 368.522 0.282 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000793737394 1201262675 /nfs/dbraw/zinc/26/26/75/1201262675.db2.gz IHJMNFZBGWBLCT-JKSUJKDBSA-N 2 0 366.506 0.345 20 0 FCADRP CNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086620093 1201282481 /nfs/dbraw/zinc/28/24/81/1201282481.db2.gz YBCPBIUSTREXHE-RYQLBKOJSA-N 2 0 358.486 0.658 20 0 FCADRP Cc1nccn1CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624157 1201359147 /nfs/dbraw/zinc/35/91/47/1201359147.db2.gz QENYXPOWKKVYAC-KSZLIROESA-N 2 0 367.453 0.664 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910388 1201423268 /nfs/dbraw/zinc/42/32/68/1201423268.db2.gz QNYOZEMXIJAION-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129931987 1201434914 /nfs/dbraw/zinc/43/49/14/1201434914.db2.gz IHKUKTDXTKRWJG-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129934102 1201436527 /nfs/dbraw/zinc/43/65/27/1201436527.db2.gz OUUUWFJPQNUSOD-XYPHTWIQSA-N 2 0 369.429 0.616 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129923578 1201443109 /nfs/dbraw/zinc/44/31/09/1201443109.db2.gz KWVYGRLFCLFNSH-IKGGRYGDSA-N 2 0 364.494 0.122 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129985071 1201459683 /nfs/dbraw/zinc/45/96/83/1201459683.db2.gz OAWAKODYYNZDHZ-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985089 1201461188 /nfs/dbraw/zinc/46/11/88/1201461188.db2.gz OIRSDPARNKLTIX-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129985225 1201461883 /nfs/dbraw/zinc/46/18/83/1201461883.db2.gz SERLSGAGPZZDKT-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129992302 1201471064 /nfs/dbraw/zinc/47/10/64/1201471064.db2.gz XTVQWBDFNVYDJZ-SJORKVTESA-N 2 0 360.437 0.911 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054951 1201484506 /nfs/dbraw/zinc/48/45/06/1201484506.db2.gz YVNPTOTVUQPUHV-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043947 1201485221 /nfs/dbraw/zinc/48/52/21/1201485221.db2.gz IGKUSOSWNPHBHV-BBWFWOEESA-N 2 0 366.510 0.513 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001130088822 1201496788 /nfs/dbraw/zinc/49/67/88/1201496788.db2.gz KIZWBSUOKVPADN-ZBFHGGJFSA-N 2 0 359.434 0.041 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094652 1201498539 /nfs/dbraw/zinc/49/85/39/1201498539.db2.gz OLLPZRDHQNCPLG-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130106941 1201502248 /nfs/dbraw/zinc/50/22/48/1201502248.db2.gz ARASTODJVJYPAL-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137058 1201514578 /nfs/dbraw/zinc/51/45/78/1201514578.db2.gz GXRPSYVJJYLCGJ-MSOLQXFVSA-N 2 0 371.489 0.863 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137145 1201514754 /nfs/dbraw/zinc/51/47/54/1201514754.db2.gz LLBMWXVVNPHYTJ-SJORKVTESA-N 2 0 366.510 0.632 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137342 1201514938 /nfs/dbraw/zinc/51/49/38/1201514938.db2.gz UPIWBZWNLJGQBG-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137296 1201515478 /nfs/dbraw/zinc/51/54/78/1201515478.db2.gz RRSMAINYWRMYLQ-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140533 1201515934 /nfs/dbraw/zinc/51/59/34/1201515934.db2.gz YYVVEKSTNMPARP-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001130220805 1201551109 /nfs/dbraw/zinc/55/11/09/1201551109.db2.gz LTKPLZZNHKUJRZ-OFQRWUPVSA-N 2 0 364.494 0.632 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)COC1 ZINC001220020372 1224729877 /nfs/dbraw/zinc/72/98/77/1224729877.db2.gz GNDRUMYBMZNUML-KRWDZBQOSA-N 3 0 358.486 0.617 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220043057 1224735990 /nfs/dbraw/zinc/73/59/90/1224735990.db2.gz CWRZFGIRIVDJBW-KXBFYZLASA-N 2 0 352.442 0.496 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531847 1202709992 /nfs/dbraw/zinc/70/99/92/1202709992.db2.gz ISOAFISEGXDBTL-CGTJXYLNSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590583 1202725801 /nfs/dbraw/zinc/72/58/01/1202725801.db2.gz XSUZGCULYICEDF-CGTJXYLNSA-N 2 0 363.506 0.823 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669517 1202750967 /nfs/dbraw/zinc/75/09/67/1202750967.db2.gz FZRPKONSMPEPBZ-DOTOQJQBSA-N 2 0 360.462 0.752 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2[NH2+]CCCO)c1 ZINC001130672176 1202751811 /nfs/dbraw/zinc/75/18/11/1202751811.db2.gz KBAQIGOHXTWBRN-DOTOQJQBSA-N 2 0 363.506 0.418 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726168 1202767480 /nfs/dbraw/zinc/76/74/80/1202767480.db2.gz NYMKMRNNXVERNP-SOLBZPMBSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802308 1202803352 /nfs/dbraw/zinc/80/33/52/1202803352.db2.gz NCQWPVJVUVROFV-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001130989266 1202837529 /nfs/dbraw/zinc/83/75/29/1202837529.db2.gz ZPHVPPCUAAVTRP-ZACQAIPSSA-N 2 0 363.506 0.559 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994298 1202838579 /nfs/dbraw/zinc/83/85/79/1202838579.db2.gz RTVRTSMXQDILGT-BRWVUGGUSA-N 2 0 361.490 0.292 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001131062044 1202854191 /nfs/dbraw/zinc/85/41/91/1202854191.db2.gz SQVNJQAFQJVGON-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072083 1202856629 /nfs/dbraw/zinc/85/66/29/1202856629.db2.gz IRHVKSCCCOFMLN-BZUAXINKSA-N 2 0 365.522 0.663 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070513 1202856704 /nfs/dbraw/zinc/85/67/04/1202856704.db2.gz ZDQPRAUHNBLEIE-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131132993 1202870011 /nfs/dbraw/zinc/87/00/11/1202870011.db2.gz WPPMZBUSBPHPGQ-GVDBMIGSSA-N 2 0 363.506 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555474 1202913531 /nfs/dbraw/zinc/91/35/31/1202913531.db2.gz HYGUBHHMXFNFKY-SCTDSRPQSA-N 2 0 371.522 0.321 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001131558164 1202914019 /nfs/dbraw/zinc/91/40/19/1202914019.db2.gz KPEFZBYYVOJMAF-NXHRZFHOSA-N 2 0 368.522 0.304 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001131562578 1202914268 /nfs/dbraw/zinc/91/42/68/1202914268.db2.gz ZSLLFGHRWHAIPS-GMBSWORKSA-N 2 0 366.506 0.060 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001131570869 1202915433 /nfs/dbraw/zinc/91/54/33/1202915433.db2.gz RKCSVEXSAPIYJP-RYRKJORJSA-N 2 0 368.522 0.448 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131588058 1202916842 /nfs/dbraw/zinc/91/68/42/1202916842.db2.gz OGPTZKAETIOHEZ-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593346 1202917306 /nfs/dbraw/zinc/91/73/06/1202917306.db2.gz YUZLPHYEPIODQP-MJGOQNOKSA-N 2 0 371.522 0.587 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131596916 1202918977 /nfs/dbraw/zinc/91/89/77/1202918977.db2.gz ASVTYXKZOHTZTL-MJGOQNOKSA-N 2 0 371.522 0.323 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1)C(N)=O ZINC001131608783 1202920536 /nfs/dbraw/zinc/92/05/36/1202920536.db2.gz MTGVFVYMCMGPEA-NUJGCVRESA-N 2 0 368.522 0.576 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086695404 1202968609 /nfs/dbraw/zinc/96/86/09/1202968609.db2.gz PFLOECLIERAMJS-ZNMIVQPWSA-N 2 0 364.494 0.356 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)n1 ZINC001086699116 1202973913 /nfs/dbraw/zinc/97/39/13/1202973913.db2.gz VADKKALAGDGVTN-YESZJQIVSA-N 2 0 363.506 0.969 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327208 1202993304 /nfs/dbraw/zinc/99/33/04/1202993304.db2.gz YZQHLEKYIUILJN-GXTWGEPZSA-N 2 0 373.457 0.454 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327210 1202993412 /nfs/dbraw/zinc/99/34/12/1202993412.db2.gz YZQHLEKYIUILJN-OCCSQVGLSA-N 2 0 373.457 0.454 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086711851 1202995254 /nfs/dbraw/zinc/99/52/54/1202995254.db2.gz DRJSIUNQQSMLHH-RRFJBIMHSA-N 2 0 364.494 0.357 20 0 FCADRP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1=O ZINC001134121321 1203015078 /nfs/dbraw/zinc/01/50/78/1203015078.db2.gz XGFSWUHYFOJVRC-MOPGFXCFSA-N 2 0 368.481 0.937 20 0 FCADRP Cn1nnc(CN[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)n1 ZINC001086731640 1203052950 /nfs/dbraw/zinc/05/29/50/1203052950.db2.gz WARIJWPHKXZLSR-LSDHHAIUSA-N 2 0 361.494 0.461 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086734200 1203061146 /nfs/dbraw/zinc/06/11/46/1203061146.db2.gz XKSBTENUQRNOCI-ARFHVFGLSA-N 2 0 364.490 0.494 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086785159 1203092557 /nfs/dbraw/zinc/09/25/57/1203092557.db2.gz MEDNQHRVTHATKF-BBWFWOEESA-N 2 0 366.506 0.202 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899868 1203137143 /nfs/dbraw/zinc/13/71/43/1203137143.db2.gz YPJVHMPYEQIYGT-DZGCQCFKSA-N 3 0 367.494 0.623 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119145 1224777363 /nfs/dbraw/zinc/77/73/63/1224777363.db2.gz BXJBBNUEAIFGLE-BBWFWOEESA-N 2 0 369.506 0.218 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158871 1224791491 /nfs/dbraw/zinc/79/14/91/1224791491.db2.gz JGMZYSGCUSDIKK-DOXZYTNZSA-N 2 0 374.489 0.352 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001220158944 1224791504 /nfs/dbraw/zinc/79/15/04/1224791504.db2.gz JXMHWMNQLAOVHP-YOEHRIQHSA-N 2 0 357.458 0.364 20 0 FCADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220230933 1224811163 /nfs/dbraw/zinc/81/11/63/1224811163.db2.gz RSVILFRZZFVJRR-KBPBESRZSA-N 2 0 369.462 0.252 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001220306104 1224824623 /nfs/dbraw/zinc/82/46/23/1224824623.db2.gz CJYNBBZXUGHSDQ-GHTZIAJQSA-N 2 0 371.529 0.466 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316273 1224827381 /nfs/dbraw/zinc/82/73/81/1224827381.db2.gz NRICIRYDGGWBGX-XAUMDUMWSA-N 2 0 370.453 0.577 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220315578 1224827464 /nfs/dbraw/zinc/82/74/64/1224827464.db2.gz FRISLDVTLPLKQP-DAYGRLMNSA-N 2 0 359.474 0.161 20 0 FCADRP CN(CC(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)C(N)=[NH2+] ZINC001144132655 1204423218 /nfs/dbraw/zinc/42/32/18/1204423218.db2.gz ZQJQZFRZAPSBPH-UAGQMJEPSA-N 2 0 358.490 0.966 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000845684170 1204544815 /nfs/dbraw/zinc/54/48/15/1204544815.db2.gz YYVKODNKPGZNCG-AWEZNQCLSA-N 2 0 372.510 0.404 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220351220 1224839318 /nfs/dbraw/zinc/83/93/18/1224839318.db2.gz WNLQGJWWHAKVTK-YESZJQIVSA-N 3 0 362.474 0.628 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC001220352420 1224840011 /nfs/dbraw/zinc/84/00/11/1224840011.db2.gz BAIIAOLXRQABEQ-IKGGRYGDSA-N 2 0 361.442 0.550 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000846332680 1204615678 /nfs/dbraw/zinc/61/56/78/1204615678.db2.gz VBIZKZYTWVDGFD-KRWDZBQOSA-N 2 0 366.506 0.333 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358666 1224842314 /nfs/dbraw/zinc/84/23/14/1224842314.db2.gz WBRSVJMGMSSQKY-QAETUUGQSA-N 2 0 360.458 0.251 20 0 FCADRP N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CCC[NH2+]C1 ZINC001220358589 1224842396 /nfs/dbraw/zinc/84/23/96/1224842396.db2.gz VEANHVNHNJNZFJ-MBOZVWFJSA-N 2 0 374.485 0.643 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001144935908 1204661607 /nfs/dbraw/zinc/66/16/07/1204661607.db2.gz KVRRUPANEZHTBD-CEXWTWQISA-N 2 0 360.502 0.802 20 0 FCADRP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543090 1204707883 /nfs/dbraw/zinc/70/78/83/1204707883.db2.gz BRFWTFSJUMGGPJ-ALKREAHSSA-N 2 0 359.474 0.860 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735232 1204836284 /nfs/dbraw/zinc/83/62/84/1204836284.db2.gz MLXONLMMJSCVQE-APWZRJJASA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742703 1204838705 /nfs/dbraw/zinc/83/87/05/1204838705.db2.gz FXONDPVASZTXAE-LBTNJELSSA-N 2 0 361.494 0.536 20 0 FCADRP Cn1nncc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754245 1204844286 /nfs/dbraw/zinc/84/42/86/1204844286.db2.gz KUEFFYLALKXWKU-MDZRGWNJSA-N 2 0 360.506 0.970 20 0 FCADRP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCCCC1 ZINC001086853718 1204852434 /nfs/dbraw/zinc/85/24/34/1204852434.db2.gz PCDPWTITPOMADH-DLBZAZTESA-N 2 0 362.518 0.969 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001086855011 1204852923 /nfs/dbraw/zinc/85/29/23/1204852923.db2.gz BODGVUCIEOQQJY-UONOGXRCSA-N 2 0 357.462 0.964 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001086971000 1204870496 /nfs/dbraw/zinc/87/04/96/1204870496.db2.gz RZLKVQWKSRFCFM-RCCFBDPRSA-N 2 0 371.489 0.332 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086989180 1204882321 /nfs/dbraw/zinc/88/23/21/1204882321.db2.gz MUAYVGDAKHCOLB-RCCFBDPRSA-N 2 0 361.490 0.171 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087054643 1204935776 /nfs/dbraw/zinc/93/57/76/1204935776.db2.gz UYHSENOQTOEMJJ-BPQIPLTHSA-N 2 0 362.474 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059603 1204943608 /nfs/dbraw/zinc/94/36/08/1204943608.db2.gz LZGBGNGGSSCURS-KBAYOESNSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087059672 1204944558 /nfs/dbraw/zinc/94/45/58/1204944558.db2.gz PLJAOVIFBPETJO-OIISXLGYSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087062880 1204949931 /nfs/dbraw/zinc/94/99/31/1204949931.db2.gz ZGOHYXIXTGKZIC-BZUAXINKSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087062606 1204950282 /nfs/dbraw/zinc/95/02/82/1204950282.db2.gz NXKFMRCQGCEWFI-DJIMGWMZSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087062917 1204950391 /nfs/dbraw/zinc/95/03/91/1204950391.db2.gz ASPPBHAKJSCQSX-HYVNUMGLSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083429 1204969739 /nfs/dbraw/zinc/96/97/39/1204969739.db2.gz DZGBCXGUQPAYGE-BFYDXBDKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083356 1204970240 /nfs/dbraw/zinc/97/02/40/1204970240.db2.gz ASJQDBQIOKBZGA-ZMSDIMECSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087100797 1204998360 /nfs/dbraw/zinc/99/83/60/1204998360.db2.gz FIVOBYRLMSYGLQ-ARFHVFGLSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087101175 1204999929 /nfs/dbraw/zinc/99/99/29/1204999929.db2.gz XDEBSWRYIOLYDV-QZTJIDSGSA-N 2 0 363.506 0.777 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787575 1205012716 /nfs/dbraw/zinc/01/27/16/1205012716.db2.gz GAOBSSXPCHNLKJ-GJYPPUQNSA-N 2 0 363.506 0.276 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809660 1205021803 /nfs/dbraw/zinc/02/18/03/1205021803.db2.gz ORKKSNPSSKTMSF-UWVAXJGDSA-N 2 0 364.534 0.975 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856421 1205051535 /nfs/dbraw/zinc/05/15/35/1205051535.db2.gz PRLKBYDQWFXIGJ-OHNRDTAOSA-N 2 0 355.442 0.863 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910334 1205068858 /nfs/dbraw/zinc/06/88/58/1205068858.db2.gz SLAAMBZJJDPVOY-GUXCAODWSA-N 2 0 362.518 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944190 1205085902 /nfs/dbraw/zinc/08/59/02/1205085902.db2.gz VHWUYNUGTDHTAP-QKLQHJQFSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985248 1205094364 /nfs/dbraw/zinc/09/43/64/1205094364.db2.gz MGXFWNUWVFEYPD-POAQFYNOSA-N 2 0 364.534 0.975 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014616 1205113951 /nfs/dbraw/zinc/11/39/51/1205113951.db2.gz ALUXBUPKSAMSKN-GUXCAODWSA-N 2 0 362.518 0.777 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCn4cncn4)C[C@@]3(C)C2)C1 ZINC001092014846 1205114269 /nfs/dbraw/zinc/11/42/69/1205114269.db2.gz FVIJNYCZMMRQQC-APWZRJJASA-N 2 0 360.506 0.790 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200732 1205196207 /nfs/dbraw/zinc/19/62/07/1205196207.db2.gz NLRISUOETLZUSU-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273815 1205220381 /nfs/dbraw/zinc/22/03/81/1205220381.db2.gz SOXYGZXPPZSGCQ-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275772 1205222329 /nfs/dbraw/zinc/22/23/29/1205222329.db2.gz OXXODBALBFFSSL-APWZRJJASA-N 2 0 360.506 0.983 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001092275846 1205222621 /nfs/dbraw/zinc/22/26/21/1205222621.db2.gz SUEDCUAEYXWBNY-LMMKCTJWSA-N 2 0 361.490 0.120 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)O1 ZINC001220481354 1224887761 /nfs/dbraw/zinc/88/77/61/1224887761.db2.gz DUEIYYHRKFIHQU-UIXUWTQFSA-N 2 0 372.469 0.946 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cn(C)c3ccccc23)O1 ZINC001220481742 1224887813 /nfs/dbraw/zinc/88/78/13/1224887813.db2.gz PRZLEOZIBIIAIL-ZCDKGFTFSA-N 2 0 374.485 0.889 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)O1 ZINC001220481448 1224888029 /nfs/dbraw/zinc/88/80/29/1224888029.db2.gz HKPOTJYJIGKZBQ-ZOMKSWQUSA-N 2 0 373.494 0.667 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC001220516198 1224899912 /nfs/dbraw/zinc/89/99/12/1224899912.db2.gz RRPNVEKBSHSKJS-KLAILNCOSA-N 2 0 373.501 0.614 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@]3(N)CCC[NH2+]C3)cc2)CC1 ZINC001220516374 1224900414 /nfs/dbraw/zinc/90/04/14/1224900414.db2.gz UYJFQDVUGCFHNZ-ALIKPJSESA-N 2 0 373.501 0.790 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001220519545 1224901935 /nfs/dbraw/zinc/90/19/35/1224901935.db2.gz RRFHGQCDQXGSQJ-QGZVFWFLSA-N 2 0 363.458 0.445 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@H](O)[C@@H]([NH3+])CC2CCCCC2)CC[NH2+]C1 ZINC001220523582 1224904390 /nfs/dbraw/zinc/90/43/90/1224904390.db2.gz RTXAGCCMLBUHFC-RDJZCZTQSA-N 2 0 367.490 0.962 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)CC[NH2+]C1 ZINC001220521871 1224905405 /nfs/dbraw/zinc/90/54/05/1224905405.db2.gz RHXGPMSQUZKBBK-AWEZNQCLSA-N 2 0 373.457 0.061 20 0 FCADRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nn1 ZINC001093132924 1206033099 /nfs/dbraw/zinc/03/30/99/1206033099.db2.gz HBRMTWXXSLXAFG-HUUCEWRRSA-N 2 0 359.474 0.765 20 0 FCADRP CC(C)[C@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093452010 1206082136 /nfs/dbraw/zinc/08/21/36/1206082136.db2.gz BMGMFCQIACTWTC-MTNOOBJLSA-N 2 0 365.518 0.573 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093673256 1206099514 /nfs/dbraw/zinc/09/95/14/1206099514.db2.gz NONSOSWNGQVVPE-KFWWJZLASA-N 2 0 365.478 0.537 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110148044 1206100509 /nfs/dbraw/zinc/10/05/09/1206100509.db2.gz FRXSJBTXQOSKFR-IKGGRYGDSA-N 2 0 363.506 0.609 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)CC[N@@H+]1C ZINC001093780730 1206114741 /nfs/dbraw/zinc/11/47/41/1206114741.db2.gz ARVMRUUVTLRSCK-KBUPBQIOSA-N 2 0 364.494 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001093778045 1206122568 /nfs/dbraw/zinc/12/25/68/1206122568.db2.gz FLXSTENTKNHOBX-IXDOHACOSA-N 2 0 363.506 0.779 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093821186 1206123219 /nfs/dbraw/zinc/12/32/19/1206123219.db2.gz ULDSERYANPPFSM-BZUAXINKSA-N 2 0 363.510 0.372 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001093825551 1206123879 /nfs/dbraw/zinc/12/38/79/1206123879.db2.gz GZBMBQTWWIQSBZ-HUUCEWRRSA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093825268 1206123883 /nfs/dbraw/zinc/12/38/83/1206123883.db2.gz AWLRZNDAIUBDOC-ZIAGYGMSSA-N 2 0 361.494 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093920009 1206149902 /nfs/dbraw/zinc/14/99/02/1206149902.db2.gz RGSCGZNNZSQLCJ-TZMCWYRMSA-N 2 0 354.418 0.356 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093942595 1206155746 /nfs/dbraw/zinc/15/57/46/1206155746.db2.gz UWPODZDKUVBLNP-QGPMSJSTSA-N 2 0 360.506 0.874 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001094088423 1206181865 /nfs/dbraw/zinc/18/18/65/1206181865.db2.gz SOJMUWFPKBNMMW-BZUAXINKSA-N 2 0 363.510 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094165239 1206197447 /nfs/dbraw/zinc/19/74/47/1206197447.db2.gz JCFNKGGLXMNXJG-BPQIPLTHSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094165867 1206198096 /nfs/dbraw/zinc/19/80/96/1206198096.db2.gz CCEDDCUOYCQSDC-OWCLPIDISA-N 2 0 366.485 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094220797 1206203470 /nfs/dbraw/zinc/20/34/70/1206203470.db2.gz WBUBLQJGSAEICJ-VNQPRFMTSA-N 2 0 360.506 0.828 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1=O ZINC001094221029 1206203657 /nfs/dbraw/zinc/20/36/57/1206203657.db2.gz LKKWGGHPQDOSPI-HUUCEWRRSA-N 2 0 363.458 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094221145 1206203984 /nfs/dbraw/zinc/20/39/84/1206203984.db2.gz SOFAADOONFEWBJ-NVXWUHKLSA-N 2 0 360.506 0.968 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@H]45)n3)c2)CC1 ZINC001212628571 1206252925 /nfs/dbraw/zinc/25/29/25/1206252925.db2.gz CZTDGNAWKFRASH-HOTGVXAUSA-N 2 0 368.441 0.806 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@@H]45)n3)c2)CC1 ZINC001212629512 1206252941 /nfs/dbraw/zinc/25/29/41/1206252941.db2.gz LLUBCGHOPZXCHM-HUUCEWRRSA-N 2 0 354.414 0.811 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117661 1206257935 /nfs/dbraw/zinc/25/79/35/1206257935.db2.gz RDGOYSSTLDCUKT-BNIPCRSQSA-N 2 0 371.485 0.921 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172164287 1206258153 /nfs/dbraw/zinc/25/81/53/1206258153.db2.gz YWRXYDHXZFOEHB-LSDHHAIUSA-N 2 0 365.474 0.736 20 0 FCADRP CN1CCCn2nc(C(=O)N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cc2C1 ZINC001175063431 1206298673 /nfs/dbraw/zinc/29/86/73/1206298673.db2.gz GCHVNWVWHPWPDM-ZWKOTPCHSA-N 2 0 360.506 0.569 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220578933 1224946167 /nfs/dbraw/zinc/94/61/67/1224946167.db2.gz XGQUCHSWCUKNGZ-MSOLQXFVSA-N 2 0 365.474 0.577 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CC1 ZINC001180352262 1206393365 /nfs/dbraw/zinc/39/33/65/1206393365.db2.gz LBUVDZXGDPQEJZ-QAQDUYKDSA-N 2 0 367.538 0.118 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001180408335 1206395020 /nfs/dbraw/zinc/39/50/20/1206395020.db2.gz GCKAJRRVDITWBB-DLBZAZTESA-N 2 0 368.437 0.988 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001180409782 1206395072 /nfs/dbraw/zinc/39/50/72/1206395072.db2.gz MFOHSEWIRWBXLR-OKZBNKHCSA-N 2 0 359.470 0.976 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001180408787 1206395216 /nfs/dbraw/zinc/39/52/16/1206395216.db2.gz OJKRBVXVZQYJOC-JKSUJKDBSA-N 2 0 369.425 0.383 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397793 /nfs/dbraw/zinc/39/77/93/1206397793.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 0 374.485 0.460 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220583673 1224950792 /nfs/dbraw/zinc/95/07/92/1224950792.db2.gz UBJAATPHPQGLGA-OAHLLOKOSA-N 2 0 365.430 0.188 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)C1 ZINC001181973699 1206418872 /nfs/dbraw/zinc/41/88/72/1206418872.db2.gz SZSZBBDQYFXUDK-INIZCTEOSA-N 2 0 361.490 0.674 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496217 1206438068 /nfs/dbraw/zinc/43/80/68/1206438068.db2.gz ZVLVHDQSYJZCHT-CABCVRRESA-N 2 0 366.506 0.391 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182683922 1206441989 /nfs/dbraw/zinc/44/19/89/1206441989.db2.gz GGOIRRJYGOPLAM-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)NCC[NH2+]CCO ZINC001184441364 1206470378 /nfs/dbraw/zinc/47/03/78/1206470378.db2.gz CEAMDZPLCYYFCF-CQSZACIVSA-N 2 0 372.510 0.404 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001185251748 1206477135 /nfs/dbraw/zinc/47/71/35/1206477135.db2.gz OUJUGSWISWOSIR-QWFCFKBJSA-N 2 0 364.534 0.439 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)[C@H]2C ZINC001185253037 1206477687 /nfs/dbraw/zinc/47/76/87/1206477687.db2.gz VJMFMABKAFHUQS-RDJZCZTQSA-N 2 0 362.522 0.872 20 0 FCADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(CC[NH+](Cc3cccnc3)C2)CC1 ZINC001186039314 1206492072 /nfs/dbraw/zinc/49/20/72/1206492072.db2.gz WXTVKPSQHNXXNL-SFHVURJKSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186381771 1206496846 /nfs/dbraw/zinc/49/68/46/1206496846.db2.gz MFDBSEZCOWKBGO-FGTMMUONSA-N 2 0 367.534 0.944 20 0 FCADRP C[NH+](C)CCCn1cc(-n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cn1 ZINC001186942652 1206509880 /nfs/dbraw/zinc/50/98/80/1206509880.db2.gz FETWNQFWEOSTES-UHFFFAOYSA-N 2 0 373.505 0.441 20 0 FCADRP CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001187406457 1206523314 /nfs/dbraw/zinc/52/33/14/1206523314.db2.gz PGFLPZLHACUGLA-CHWSQXEVSA-N 2 0 371.482 0.862 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1ncc(F)cn1 ZINC001220598723 1224958943 /nfs/dbraw/zinc/95/89/43/1224958943.db2.gz AZAJKANHAHVODY-XBFCOCLRSA-N 2 0 366.441 0.240 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188107731 1207422485 /nfs/dbraw/zinc/42/24/85/1207422485.db2.gz XGQCXATYHCQJJC-GVDBMIGSSA-N 2 0 368.497 0.725 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001188107076 1207422861 /nfs/dbraw/zinc/42/28/61/1207422861.db2.gz GQYVWWUOBBTVSG-ARFHVFGLSA-N 2 0 369.485 0.224 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405169 1207454736 /nfs/dbraw/zinc/45/47/36/1207454736.db2.gz CFWMDUFUFCMSRP-USXIJHARSA-N 2 0 357.458 0.329 20 0 FCADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188518232 1207459757 /nfs/dbraw/zinc/45/97/57/1207459757.db2.gz METSXYCHJXOABI-MAUKXSAKSA-N 2 0 371.441 0.423 20 0 FCADRP O=C(CCCCN1CCOCC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189425923 1207547433 /nfs/dbraw/zinc/54/74/33/1207547433.db2.gz SULZNHZQICLHNL-ZWKOTPCHSA-N 2 0 369.506 0.031 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189922884 1207621348 /nfs/dbraw/zinc/62/13/48/1207621348.db2.gz FSYRWAOCPNYTRG-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189941766 1207628374 /nfs/dbraw/zinc/62/83/74/1207628374.db2.gz DQYDAKKEQMGCNV-GOEBONIOSA-N 2 0 362.478 0.501 20 0 FCADRP CN1CCN(C(=O)NCC[N@H+](C)C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775430745 1207752058 /nfs/dbraw/zinc/75/20/58/1207752058.db2.gz QOEUUBZYINMCBK-HNNXBMFYSA-N 2 0 369.510 0.931 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066059 1207856717 /nfs/dbraw/zinc/85/67/17/1207856717.db2.gz AHYLLGMFHYIYCE-IAGOWNOFSA-N 2 0 367.494 0.035 20 0 FCADRP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001193102417 1207858721 /nfs/dbraw/zinc/85/87/21/1207858721.db2.gz IYBYGULSKXWGQK-USXIJHARSA-N 2 0 364.490 0.985 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001193738134 1207886573 /nfs/dbraw/zinc/88/65/73/1207886573.db2.gz ONMGWAMHYNYFKM-FGTMMUONSA-N 2 0 371.497 0.931 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCn2cc(C(=O)NC3CC[NH+](C)CC3)nc2C1 ZINC001273667018 1207897202 /nfs/dbraw/zinc/89/72/02/1207897202.db2.gz ZHPBVNVBZHWSGT-UHFFFAOYSA-N 2 0 362.478 0.001 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194604020 1207964866 /nfs/dbraw/zinc/96/48/66/1207964866.db2.gz PCGUYRYBJMXJRZ-IAOVAPTHSA-N 2 0 359.430 0.203 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221698 1208010585 /nfs/dbraw/zinc/01/05/85/1208010585.db2.gz BXJBBNUEAIFGLE-GVDBMIGSSA-N 2 0 369.506 0.218 20 0 FCADRP CC(C)N(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(C)C ZINC001195849550 1208041578 /nfs/dbraw/zinc/04/15/78/1208041578.db2.gz BCNZQRANZYKYBE-IAGOWNOFSA-N 2 0 368.522 0.135 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001196167290 1208062961 /nfs/dbraw/zinc/06/29/61/1208062961.db2.gz DFXUEHQWSLMNMG-BRWVUGGUSA-N 2 0 364.494 0.094 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)n1 ZINC001196206470 1208065862 /nfs/dbraw/zinc/06/58/62/1208065862.db2.gz CXBVSYZUGWXPFK-IAGOWNOFSA-N 2 0 365.522 0.639 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001196636936 1208098770 /nfs/dbraw/zinc/09/87/70/1208098770.db2.gz GGNJEHWOUNRTLZ-RCCFBDPRSA-N 2 0 369.506 0.075 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000895 1208127755 /nfs/dbraw/zinc/12/77/55/1208127755.db2.gz NSRWMNFWQYRGHD-BRWVUGGUSA-N 2 0 370.538 0.704 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000269 1208128161 /nfs/dbraw/zinc/12/81/61/1208128161.db2.gz ASLXUZQLJQXGGT-IXDOHACOSA-N 2 0 368.522 0.281 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1O)C(C)C ZINC001197026086 1208132878 /nfs/dbraw/zinc/13/28/78/1208132878.db2.gz ZFKOASFKVYLEKV-NUJGCVRESA-N 2 0 370.538 0.381 20 0 FCADRP CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197025180 1208133206 /nfs/dbraw/zinc/13/32/06/1208133206.db2.gz OYAKDNWAHVAHAG-NUJGCVRESA-N 2 0 370.538 0.383 20 0 FCADRP Cc1cccnc1CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197252537 1208149265 /nfs/dbraw/zinc/14/92/65/1208149265.db2.gz DKQVQLLQASKNPB-QZTJIDSGSA-N 2 0 362.474 0.162 20 0 FCADRP CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197643858 1208180692 /nfs/dbraw/zinc/18/06/92/1208180692.db2.gz FZQMHRMGSSYDFW-RTBURBONSA-N 2 0 367.534 0.942 20 0 FCADRP COCCn1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1=O ZINC001198832169 1208291690 /nfs/dbraw/zinc/29/16/90/1208291690.db2.gz PVKXSVJBPURDLT-UHFFFAOYSA-N 2 0 366.506 0.840 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024054 1208310082 /nfs/dbraw/zinc/31/00/82/1208310082.db2.gz YUSBZFOJJHBUSB-RCCFBDPRSA-N 2 0 371.522 0.057 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199024017 1208310380 /nfs/dbraw/zinc/31/03/80/1208310380.db2.gz XMYJSYNKECYPDQ-CEXWTWQISA-N 2 0 367.534 0.965 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199023457 1208310425 /nfs/dbraw/zinc/31/04/25/1208310425.db2.gz KLVMSGBMOZSLDF-RCCFBDPRSA-N 2 0 369.506 0.219 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199071271 1208316475 /nfs/dbraw/zinc/31/64/75/1208316475.db2.gz QZFZFXWPFBYRSX-GUDVDZBRSA-N 2 0 367.534 0.965 20 0 FCADRP CN1CCN(c2ccncc2C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001199358204 1208342657 /nfs/dbraw/zinc/34/26/57/1208342657.db2.gz ZAZYPGHKUCJEEW-HNNXBMFYSA-N 2 0 367.457 0.622 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220768650 1225063418 /nfs/dbraw/zinc/06/34/18/1225063418.db2.gz WXKOTDFYJPOHRH-MSOLQXFVSA-N 2 0 371.522 0.323 20 0 FCADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001220771648 1225063898 /nfs/dbraw/zinc/06/38/98/1225063898.db2.gz BHFUSZLHSXYZQK-LSDHHAIUSA-N 2 0 370.413 0.067 20 0 FCADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574429 1208479575 /nfs/dbraw/zinc/47/95/75/1208479575.db2.gz MZGZUURWSDSGOF-IDCNUPLLSA-N 2 0 363.506 0.941 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)cc1 ZINC001220789126 1225074951 /nfs/dbraw/zinc/07/49/51/1225074951.db2.gz JPHGZHPPVFZDKN-OKZBNKHCSA-N 2 0 367.453 0.517 20 0 FCADRP [NH3+][C@@]12CC[C@@](NC(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)(C1)CCC2 ZINC001220786372 1225072877 /nfs/dbraw/zinc/07/28/77/1225072877.db2.gz WEUDMFADKJZKHZ-AYOQOUSVSA-N 2 0 370.457 0.924 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220794475 1225078276 /nfs/dbraw/zinc/07/82/76/1225078276.db2.gz QDLAQOJJFSIFNC-MAUKXSAKSA-N 2 0 367.457 0.362 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001489205541 1208668554 /nfs/dbraw/zinc/66/85/54/1208668554.db2.gz JFECVZAUCYLFMK-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207289 1208671776 /nfs/dbraw/zinc/67/17/76/1208671776.db2.gz UCLKNKCEHRJHJI-FGTMMUONSA-N 2 0 363.506 0.366 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826211 1225090288 /nfs/dbraw/zinc/09/02/88/1225090288.db2.gz SFBLDKYHJDFMAV-QRVBRYPASA-N 2 0 363.502 0.483 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)C[NH2+]C1 ZINC001220830424 1225094105 /nfs/dbraw/zinc/09/41/05/1225094105.db2.gz WOXCBJAGVSKKCI-HNNXBMFYSA-N 2 0 354.410 0.641 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220857416 1225111989 /nfs/dbraw/zinc/11/19/89/1225111989.db2.gz AOENLJZXZQTCGB-KRWDZBQOSA-N 2 0 366.425 0.779 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000850835824 1209491648 /nfs/dbraw/zinc/49/16/48/1209491648.db2.gz AZNYTTKLXVMEDQ-HNNXBMFYSA-N 2 0 359.474 0.634 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000850833577 1209491713 /nfs/dbraw/zinc/49/17/13/1209491713.db2.gz USPQOFBJNJHBHP-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)nn1 ZINC000851630669 1209507234 /nfs/dbraw/zinc/50/72/34/1209507234.db2.gz KFJYUARYQUMUBE-UHFFFAOYSA-N 2 0 358.402 0.398 20 0 FCADRP O=C(CCc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531661 /nfs/dbraw/zinc/53/16/61/1209531661.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 0 358.446 0.321 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001110716077 1209734655 /nfs/dbraw/zinc/73/46/55/1209734655.db2.gz JXBGWQSELSQCPT-HHARLNAUSA-N 2 0 366.506 0.031 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000857102770 1209742514 /nfs/dbraw/zinc/74/25/14/1209742514.db2.gz JUVOEIDTADDOLF-OGWOLHLISA-N 2 0 364.490 0.086 20 0 FCADRP Cc1cc2c(cn1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001220960499 1225160332 /nfs/dbraw/zinc/16/03/32/1225160332.db2.gz QHLXVKZBVLXVAB-BZSNNMDCSA-N 2 0 373.501 0.941 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000858192581 1209779259 /nfs/dbraw/zinc/77/92/59/1209779259.db2.gz NLDUPHWKYYQKCU-IRXDYDNUSA-N 2 0 366.506 0.746 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748885 1209794296 /nfs/dbraw/zinc/79/42/96/1209794296.db2.gz WZKNEBRAQJPIFT-SIUPPRGNSA-N 2 0 358.442 0.985 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1)C1CC[NH+](C)CC1 ZINC000861543927 1209870541 /nfs/dbraw/zinc/87/05/41/1209870541.db2.gz HEKREGCQWSYGKD-OAHLLOKOSA-N 2 0 359.474 0.634 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000861732825 1209877695 /nfs/dbraw/zinc/87/76/95/1209877695.db2.gz MBCKQFKNXVAXKU-RHSMWYFYSA-N 2 0 362.474 0.754 20 0 FCADRP O=C(NC1CN(c2ncnc3ccccc32)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220985311 1225174087 /nfs/dbraw/zinc/17/40/87/1225174087.db2.gz QYJYRIMBYUCCFA-BFUOFWGJSA-N 2 0 352.442 0.134 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000863773989 1209951895 /nfs/dbraw/zinc/95/18/95/1209951895.db2.gz NLUZCWUXQLVTDT-JXFKEZNVSA-N 2 0 358.486 0.917 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CCOCC2)c1 ZINC001220990706 1225177688 /nfs/dbraw/zinc/17/76/88/1225177688.db2.gz VYEIXXFFWHRLCC-HNNXBMFYSA-N 2 0 360.458 0.064 20 0 FCADRP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(F)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000865894327 1209987037 /nfs/dbraw/zinc/98/70/37/1209987037.db2.gz KORUWSRYZSFXGN-HOTGVXAUSA-N 2 0 370.513 0.925 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001221003523 1225182374 /nfs/dbraw/zinc/18/23/74/1225182374.db2.gz AXEFJGGRHQKPFL-SOAMZJECSA-N 3 0 357.502 0.879 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215008 1210044614 /nfs/dbraw/zinc/04/46/14/1210044614.db2.gz AFENMDJMTUBRTB-ZWKOTPCHSA-N 2 0 365.522 0.271 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000868286522 1210049897 /nfs/dbraw/zinc/04/98/97/1210049897.db2.gz OHTUSDCUKXXWAF-HUUCEWRRSA-N 2 0 359.474 0.715 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000868309772 1210050831 /nfs/dbraw/zinc/05/08/31/1210050831.db2.gz MGCZWXHQGKWQSF-OAHLLOKOSA-N 2 0 373.501 0.883 20 0 FCADRP 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 ZINC000872254700 1210182616 /nfs/dbraw/zinc/18/26/16/1210182616.db2.gz BYRXHTNYOLJJPJ-JFRXWTBNSA-N 2 0 367.534 0.941 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072387 1225209792 /nfs/dbraw/zinc/20/97/92/1225209792.db2.gz AJCBSIUHJHWJRR-VWPYQMOUSA-N 2 0 369.506 0.532 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000876881287 1210432622 /nfs/dbraw/zinc/43/26/22/1210432622.db2.gz XIBQNEGISYXLIO-KRWDZBQOSA-N 2 0 362.522 0.826 20 0 FCADRP [NH3+]C1(CNC(=O)/C=C\CN2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921718 1210434650 /nfs/dbraw/zinc/43/46/50/1210434650.db2.gz JZKFBRVXMFMLTD-DAXSKMNVSA-N 2 0 372.513 0.985 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877329874 1210442990 /nfs/dbraw/zinc/44/29/90/1210442990.db2.gz YYFPXDUYVUNUEG-CABCVRRESA-N 2 0 362.478 0.481 20 0 FCADRP O=C(C[N@H+]1C[C@H](CO)[C@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000879694256 1210493804 /nfs/dbraw/zinc/49/38/04/1210493804.db2.gz YUMOCZRQDSVCIG-KDURUIRLSA-N 2 0 361.486 0.431 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001221114162 1225227087 /nfs/dbraw/zinc/22/70/87/1225227087.db2.gz OVPCNOQTKGHIHM-MRXNPFEDSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883346650 1210664007 /nfs/dbraw/zinc/66/40/07/1210664007.db2.gz DTKCEXSSCIGSFI-FUHWJXTLSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000883603656 1210672782 /nfs/dbraw/zinc/67/27/82/1210672782.db2.gz AMGZPMCYEDQIFO-GOSISDBHSA-N 2 0 371.485 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883609975 1210675188 /nfs/dbraw/zinc/67/51/88/1210675188.db2.gz JOSKCFOWUQEKPU-ZTFGCOKTSA-N 2 0 371.485 0.715 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221123729 1225230213 /nfs/dbraw/zinc/23/02/13/1225230213.db2.gz HUEMRYWWXHWGJL-AEFFLSMTSA-N 2 0 357.502 0.850 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883638701 1210677037 /nfs/dbraw/zinc/67/70/37/1210677037.db2.gz UMEAUVPDYGZLSP-RDJZCZTQSA-N 2 0 361.490 0.951 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000883639303 1210677040 /nfs/dbraw/zinc/67/70/40/1210677040.db2.gz LKDXXARQFWWNKB-MRXNPFEDSA-N 2 0 371.485 0.721 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000883639170 1210677051 /nfs/dbraw/zinc/67/70/51/1210677051.db2.gz HWUIOFKLPGINBD-RDJZCZTQSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883638923 1210677258 /nfs/dbraw/zinc/67/72/58/1210677258.db2.gz ADKLFWVKCGABEE-VYDXJSESSA-N 2 0 359.474 0.847 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883639692 1210677599 /nfs/dbraw/zinc/67/75/99/1210677599.db2.gz WGEMRKDBAVZWPS-HUUCEWRRSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883640635 1210677627 /nfs/dbraw/zinc/67/76/27/1210677627.db2.gz VCVHTSBBECLACP-HRCADAONSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883642427 1210678174 /nfs/dbraw/zinc/67/81/74/1210678174.db2.gz LNSCODRRLDXPBT-HOTGVXAUSA-N 2 0 359.474 0.849 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000883641408 1210678281 /nfs/dbraw/zinc/67/82/81/1210678281.db2.gz OCCSPCNIZZCONC-VYDXJSESSA-N 2 0 359.474 0.705 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000884211020 1210723521 /nfs/dbraw/zinc/72/35/21/1210723521.db2.gz QJAXCOAWCUHNLC-UHFFFAOYSA-N 2 0 374.485 0.665 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884233866 1210724935 /nfs/dbraw/zinc/72/49/35/1210724935.db2.gz BADZLONYCALIKH-UHFFFAOYSA-N 2 0 374.533 0.639 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC000884236319 1210725892 /nfs/dbraw/zinc/72/58/92/1210725892.db2.gz RDNUVDPFJBJEGU-GOSISDBHSA-N 2 0 372.517 0.343 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884388498 1210732554 /nfs/dbraw/zinc/73/25/54/1210732554.db2.gz XODRVMCHAJFASU-KURKYZTESA-N 2 0 373.501 0.992 20 0 FCADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427123 1210734892 /nfs/dbraw/zinc/73/48/92/1210734892.db2.gz IHYKKWVZQRTQSG-WBVHZDCISA-N 2 0 361.442 0.454 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000884516302 1210742600 /nfs/dbraw/zinc/74/26/00/1210742600.db2.gz HIVIQKWLPDENBP-DOTOQJQBSA-N 2 0 358.486 0.758 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000884516621 1210742683 /nfs/dbraw/zinc/74/26/83/1210742683.db2.gz OQTICMCOFSEGGR-RDJZCZTQSA-N 2 0 366.506 0.476 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516722 1210742712 /nfs/dbraw/zinc/74/27/12/1210742712.db2.gz RMELFADSPQWYPE-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000884518694 1210743824 /nfs/dbraw/zinc/74/38/24/1210743824.db2.gz XCDYJUPKUPNSBI-GDBMZVCRSA-N 2 0 362.474 0.296 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884555460 1210750126 /nfs/dbraw/zinc/75/01/26/1210750126.db2.gz RRHNMNPGSGKUHH-RPVQJOFSSA-N 2 0 356.470 0.416 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884559776 1210751214 /nfs/dbraw/zinc/75/12/14/1210751214.db2.gz DMATVYKULRJTHO-CRAIPNDOSA-N 2 0 372.513 0.993 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884560370 1210751976 /nfs/dbraw/zinc/75/19/76/1210751976.db2.gz VUOZNXNOPFUHRC-HDICACEKSA-N 2 0 370.497 0.902 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000884576461 1210754412 /nfs/dbraw/zinc/75/44/12/1210754412.db2.gz IBSFTNRTGLLGOW-SFHVURJKSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572793 1210754798 /nfs/dbraw/zinc/75/47/98/1210754798.db2.gz VYTDUXCDFWPSBV-MXSMSXNCSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884577258 1210755311 /nfs/dbraw/zinc/75/53/11/1210755311.db2.gz ANILWCCKJUWJGK-ZNMIVQPWSA-N 2 0 374.476 0.832 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000884604841 1210761377 /nfs/dbraw/zinc/76/13/77/1210761377.db2.gz PWBQBUDOHDHMRK-XBMUEBEBSA-N 2 0 370.497 0.950 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000884608414 1210761989 /nfs/dbraw/zinc/76/19/89/1210761989.db2.gz QCYWIKXAXSMZFR-ABSDTBQOSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000884608240 1210762198 /nfs/dbraw/zinc/76/21/98/1210762198.db2.gz NIRSOOBJSWPIPG-UEXGIBASSA-N 2 0 370.497 0.978 20 0 FCADRP [NH3+][C@@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627633 1210767153 /nfs/dbraw/zinc/76/71/53/1210767153.db2.gz WSENSWGJCJELCI-IRXDYDNUSA-N 2 0 358.486 0.663 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884646793 1210772015 /nfs/dbraw/zinc/77/20/15/1210772015.db2.gz GOZRXEMQEATJMB-YOEHRIQHSA-N 2 0 374.485 0.208 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884646790 1210772134 /nfs/dbraw/zinc/77/21/34/1210772134.db2.gz GOZRXEMQEATJMB-PBHICJAKSA-N 2 0 374.485 0.208 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000884660519 1210774127 /nfs/dbraw/zinc/77/41/27/1210774127.db2.gz VSHFWDSUJRNKTE-JLSDUUJJSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000884660520 1210774470 /nfs/dbraw/zinc/77/44/70/1210774470.db2.gz VSHFWDSUJRNKTE-OLMNPRSZSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C[NH+]1CCCC1 ZINC000884668857 1210774851 /nfs/dbraw/zinc/77/48/51/1210774851.db2.gz FQYHMYYPAGXFHL-FUHWJXTLSA-N 2 0 360.502 0.911 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000884668729 1210775090 /nfs/dbraw/zinc/77/50/90/1210775090.db2.gz ASHUNAALMZZJPN-LESCRADOSA-N 2 0 374.485 0.896 20 0 FCADRP CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884677685 1210778015 /nfs/dbraw/zinc/77/80/15/1210778015.db2.gz ALWCYDWSHBUPEW-IAGOWNOFSA-N 2 0 362.449 0.899 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000884678503 1210778030 /nfs/dbraw/zinc/77/80/30/1210778030.db2.gz DKKYUVYSFLOHMM-MSOLQXFVSA-N 2 0 374.485 0.166 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681417 1210778870 /nfs/dbraw/zinc/77/88/70/1210778870.db2.gz VEARINICASBDEZ-BHIYHBOVSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706221 1210785071 /nfs/dbraw/zinc/78/50/71/1210785071.db2.gz VVVZVTCTLAXXIG-GJZGRUSLSA-N 2 0 366.506 0.693 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000884718190 1210787519 /nfs/dbraw/zinc/78/75/19/1210787519.db2.gz WVSRWQBOWMWAPY-NJAFHUGGSA-N 2 0 358.486 0.942 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884722659 1210789306 /nfs/dbraw/zinc/78/93/06/1210789306.db2.gz GTNZXWOFGVGQNF-NUJGCVRESA-N 2 0 360.502 0.985 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000884723581 1210789453 /nfs/dbraw/zinc/78/94/53/1210789453.db2.gz QYJZHSWYGYKYEA-OAHLLOKOSA-N 2 0 357.458 0.545 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000884723580 1210789643 /nfs/dbraw/zinc/78/96/43/1210789643.db2.gz QYJZHSWYGYKYEA-HNNXBMFYSA-N 2 0 357.458 0.545 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884722658 1210789759 /nfs/dbraw/zinc/78/97/59/1210789759.db2.gz GTNZXWOFGVGQNF-LZLYRXPVSA-N 2 0 360.502 0.985 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884726662 1210790317 /nfs/dbraw/zinc/79/03/17/1210790317.db2.gz ZEEBCCZYEGBRFU-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884796176 1210796122 /nfs/dbraw/zinc/79/61/22/1210796122.db2.gz CQHNXLWGNPURJC-RIFZZMRRSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789851 1210796201 /nfs/dbraw/zinc/79/62/01/1210796201.db2.gz DOSPPGFLKFMTRE-TYJOOELLSA-N 2 0 370.497 0.739 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824555 1210799704 /nfs/dbraw/zinc/79/97/04/1210799704.db2.gz ACEJUJOMNDMRCN-CWLKWCNXSA-N 2 0 358.486 0.737 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832832 1210800128 /nfs/dbraw/zinc/80/01/28/1210800128.db2.gz AWKYQRYPKNKFKL-BQFCYCMXSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884835376 1210800375 /nfs/dbraw/zinc/80/03/75/1210800375.db2.gz QHDGQYDRMWKGJX-NXHRZFHOSA-N 2 0 358.486 0.678 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884834969 1210800506 /nfs/dbraw/zinc/80/05/06/1210800506.db2.gz ICDQRBVZHFFLKF-KBAYOESNSA-N 2 0 358.486 0.691 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884892817 1210803138 /nfs/dbraw/zinc/80/31/38/1210803138.db2.gz ZIBREDKIWIEUHF-ROUUACIJSA-N 2 0 360.502 0.911 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884975908 1210806529 /nfs/dbraw/zinc/80/65/29/1210806529.db2.gz ILCMSFBIOCCKFL-OAHLLOKOSA-N 2 0 374.476 0.974 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)cc1 ZINC000884982436 1210806551 /nfs/dbraw/zinc/80/65/51/1210806551.db2.gz BQBYURBZPXPOSP-BBTUJRGHSA-N 2 0 370.497 0.753 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884983377 1210806921 /nfs/dbraw/zinc/80/69/21/1210806921.db2.gz QFIASIRLMHZYLM-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884983432 1210807147 /nfs/dbraw/zinc/80/71/47/1210807147.db2.gz RCXJSTDIBYQXCG-MSOLQXFVSA-N 2 0 358.486 0.896 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000885006810 1210807782 /nfs/dbraw/zinc/80/77/82/1210807782.db2.gz BPVWHRYWGBTUHN-VIQHNZTISA-N 2 0 366.506 0.249 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885148624 1210812550 /nfs/dbraw/zinc/81/25/50/1210812550.db2.gz QLFRRGXEDXWISH-HOTGVXAUSA-N 2 0 366.506 0.250 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885157374 1210813531 /nfs/dbraw/zinc/81/35/31/1210813531.db2.gz LGKWAJKDOZZLAO-GOSISDBHSA-N 2 0 358.486 0.617 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885280743 1210817149 /nfs/dbraw/zinc/81/71/49/1210817149.db2.gz SOVYNBGZDFIEOG-ZDUSSCGKSA-N 2 0 372.416 0.531 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000885290080 1210817555 /nfs/dbraw/zinc/81/75/55/1210817555.db2.gz AJJSPWIIDONLFM-ZDUSSCGKSA-N 2 0 367.400 0.091 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)n2)CC1 ZINC000885876765 1210821310 /nfs/dbraw/zinc/82/13/10/1210821310.db2.gz XTSJJWBYBYWUMU-QGZVFWFLSA-N 2 0 373.501 0.817 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872185 1210838817 /nfs/dbraw/zinc/83/88/17/1210838817.db2.gz LSBIXSYDYHNXMM-ICSRJNTNSA-N 2 0 366.550 0.925 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066147 1210844924 /nfs/dbraw/zinc/84/49/24/1210844924.db2.gz DWVALUAIGLQTFI-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000887091482 1210847124 /nfs/dbraw/zinc/84/71/24/1210847124.db2.gz MCQAXDFBNHPWBX-JXFKEZNVSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000887091512 1210847159 /nfs/dbraw/zinc/84/71/59/1210847159.db2.gz MONXVZJWDASKPS-KXBFYZLASA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890134745 1210966839 /nfs/dbraw/zinc/96/68/39/1210966839.db2.gz RDCWAFOIOZZPOK-ZWKOTPCHSA-N 2 0 367.538 0.376 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890134743 1210967372 /nfs/dbraw/zinc/96/73/72/1210967372.db2.gz RDCWAFOIOZZPOK-QZTJIDSGSA-N 2 0 367.538 0.376 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)CC1 ZINC001274368991 1211037660 /nfs/dbraw/zinc/03/76/60/1211037660.db2.gz AWNLPYVDJJWBMW-KDURUIRLSA-N 2 0 365.566 0.356 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1 ZINC001274399594 1211045623 /nfs/dbraw/zinc/04/56/23/1211045623.db2.gz CTHFQNNTOZHKSO-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2CC1 ZINC001274408073 1211046272 /nfs/dbraw/zinc/04/62/72/1211046272.db2.gz JEYIDIFEEMEEOU-CALCHBBNSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001274419275 1211050102 /nfs/dbraw/zinc/05/01/02/1211050102.db2.gz RLBPNWNVMIWIJT-AZUAARDMSA-N 2 0 364.534 0.583 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001221188342 1225260173 /nfs/dbraw/zinc/26/01/73/1225260173.db2.gz SUVSBVSRFZZOGM-HOTGVXAUSA-N 2 0 361.442 0.733 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1 ZINC001274952604 1211151135 /nfs/dbraw/zinc/15/11/35/1211151135.db2.gz GTAINHXTWRSQFM-ULQDDVLXSA-N 2 0 360.502 0.767 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)CC1 ZINC001274953538 1211151840 /nfs/dbraw/zinc/15/18/40/1211151840.db2.gz QHMCGKIMAWSJML-YESZJQIVSA-N 2 0 360.502 0.624 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)CC1 ZINC001274954213 1211152277 /nfs/dbraw/zinc/15/22/77/1211152277.db2.gz XZARRZKBFGASLC-MRXNPFEDSA-N 2 0 360.502 0.626 20 0 FCADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068637 1211173539 /nfs/dbraw/zinc/17/35/39/1211173539.db2.gz JTKWMASBEHORPG-ICSRJNTNSA-N 2 0 366.550 0.973 20 0 FCADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275093053 1211175327 /nfs/dbraw/zinc/17/53/27/1211175327.db2.gz IIRCAXVZFNQITK-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161823 1211185146 /nfs/dbraw/zinc/18/51/46/1211185146.db2.gz JQIIWLRREFYJQP-IBGZPJMESA-N 2 0 360.506 0.472 20 0 FCADRP Cn1cccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275190171 1211194138 /nfs/dbraw/zinc/19/41/38/1211194138.db2.gz CHNPGLAMQOZCHV-LJQANCHMSA-N 2 0 357.458 0.973 20 0 FCADRP COc1cnccc1CN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275372108 1211225400 /nfs/dbraw/zinc/22/54/00/1211225400.db2.gz VFWXBZOZCOOCRU-LJQANCHMSA-N 2 0 362.474 0.703 20 0 FCADRP Nc1cc[nH+]cc1CN1CC[C@@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456207 1211242396 /nfs/dbraw/zinc/24/23/96/1211242396.db2.gz VYASOVUDRDRCLS-LJQANCHMSA-N 2 0 360.458 0.724 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507856 1211252476 /nfs/dbraw/zinc/25/24/76/1211252476.db2.gz KXAAVQUDZDTVOC-KUHUBIRLSA-N 2 0 366.506 0.679 20 0 FCADRP Cc1noc(CN2C[C@@]3(CC[N@@H+](CC4CC[NH+](C)CC4)C3)OCC2=O)n1 ZINC001275555427 1211256061 /nfs/dbraw/zinc/25/60/61/1211256061.db2.gz AUSGXNONNZMQME-SFHVURJKSA-N 2 0 363.462 0.523 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4nonc4c3)C2)OCC1=O ZINC001275719683 1211274986 /nfs/dbraw/zinc/27/49/86/1211274986.db2.gz MCZGMVXRIWYBSH-GOSISDBHSA-N 2 0 359.430 0.588 20 0 FCADRP Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736353 1211278839 /nfs/dbraw/zinc/27/88/39/1211278839.db2.gz DIJLGBVAPGXKMJ-GOSISDBHSA-N 2 0 360.462 0.156 20 0 FCADRP Cc1noc(CN2C(=O)C[C@]3(CCC[N@H+](CC4CC[NH2+]CC4)C3)C2=O)n1 ZINC001275736532 1211278956 /nfs/dbraw/zinc/27/89/56/1211278956.db2.gz FRPNPBULOCTAFN-SFHVURJKSA-N 2 0 361.446 0.719 20 0 FCADRP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738412 1211279186 /nfs/dbraw/zinc/27/91/86/1211279186.db2.gz YJHUSSILNMSRJS-IBGZPJMESA-N 2 0 365.474 0.779 20 0 FCADRP O=C1C[C@@]2(CN1CCn1ccnc1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738410 1211279301 /nfs/dbraw/zinc/27/93/01/1211279301.db2.gz YHSUVDACGMTIRB-LJQANCHMSA-N 2 0 361.490 0.434 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803948 1211286724 /nfs/dbraw/zinc/28/67/24/1211286724.db2.gz NXCIHFHXURRZBT-UYAOXDASSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803606 1211287325 /nfs/dbraw/zinc/28/73/25/1211287325.db2.gz KOVIMYBZSTVQED-ICSRJNTNSA-N 2 0 364.534 0.870 20 0 FCADRP CCNC(=O)CN1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833830 1211294011 /nfs/dbraw/zinc/29/40/11/1211294011.db2.gz QZRGIWBKVWSBKV-IBGZPJMESA-N 2 0 366.506 0.158 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000363477414 1211294544 /nfs/dbraw/zinc/29/45/44/1211294544.db2.gz VUJQKPVOWKLLMA-IRXDYDNUSA-N 2 0 363.506 0.563 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894958 1211308001 /nfs/dbraw/zinc/30/80/01/1211308001.db2.gz COFGCGBREAJYTA-FQEVSTJZSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001276055996 1211342137 /nfs/dbraw/zinc/34/21/37/1211342137.db2.gz BKBKHICXUDEUQM-JTWUUNPKSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820138 1225282628 /nfs/dbraw/zinc/28/26/28/1225282628.db2.gz YTKFXLGRSZNIPX-HUUCEWRRSA-N 2 0 369.506 0.469 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276130524 1211363106 /nfs/dbraw/zinc/36/31/06/1211363106.db2.gz NCUXGYFWAOCHOF-CQSZACIVSA-N 2 0 363.462 0.476 20 0 FCADRP CNc1ncccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276199519 1211379775 /nfs/dbraw/zinc/37/97/75/1211379775.db2.gz QUPSQQBNRTUGAE-IBGZPJMESA-N 2 0 361.490 0.736 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592026 1211438578 /nfs/dbraw/zinc/43/85/78/1211438578.db2.gz BOKGIJDNSIRDHU-BEFAXECRSA-N 2 0 361.490 0.973 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592029 1211438681 /nfs/dbraw/zinc/43/86/81/1211438681.db2.gz BOKGIJDNSIRDHU-HNAYVOBHSA-N 2 0 361.490 0.973 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCN3C(=O)N[C@H](C[NH+](C)C)C3=O)CC2)c1 ZINC000924478143 1211471107 /nfs/dbraw/zinc/47/11/07/1211471107.db2.gz JYVBAJCWNJCKFJ-GOSISDBHSA-N 2 0 373.501 0.989 20 0 FCADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924628615 1211475726 /nfs/dbraw/zinc/47/57/26/1211475726.db2.gz KRFOSUBHIBOMDF-ZDUSSCGKSA-N 2 0 359.474 0.893 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000924720951 1211478144 /nfs/dbraw/zinc/47/81/44/1211478144.db2.gz CCKAXYXWSWNCEL-LJQANCHMSA-N 2 0 372.513 0.819 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1 ZINC000924918801 1211484990 /nfs/dbraw/zinc/48/49/90/1211484990.db2.gz DGBCWZVTEHWBDC-KRWDZBQOSA-N 2 0 374.485 0.363 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925408839 1211499556 /nfs/dbraw/zinc/49/95/56/1211499556.db2.gz BLBAVVGJNKLFMN-INIZCTEOSA-N 2 0 367.538 0.816 20 0 FCADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925936101 1211510623 /nfs/dbraw/zinc/51/06/23/1211510623.db2.gz JFKCWGCSHIRDKO-NXHRZFHOSA-N 2 0 360.502 0.922 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC000926142986 1211517618 /nfs/dbraw/zinc/51/76/18/1211517618.db2.gz MHWSUPYCDPQBCJ-VXNCWWDNSA-N 2 0 363.506 0.654 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000926292282 1211527437 /nfs/dbraw/zinc/52/74/37/1211527437.db2.gz YKOKDJDWUBBOHA-GOSISDBHSA-N 2 0 358.486 0.918 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000926349848 1211537206 /nfs/dbraw/zinc/53/72/06/1211537206.db2.gz BLCZJGGFVLXESP-INIZCTEOSA-N 2 0 366.506 0.287 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000927644392 1211578467 /nfs/dbraw/zinc/57/84/67/1211578467.db2.gz MURPIZSGBZEPBX-WMZOPIPTSA-N 2 0 366.506 0.603 20 0 FCADRP COc1ccccc1[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1nnc(C)o1 ZINC001221335883 1225299804 /nfs/dbraw/zinc/29/98/04/1225299804.db2.gz IAGHSUOZZYLIPM-ZFWWWQNUSA-N 2 0 357.414 0.401 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221390760 1225304932 /nfs/dbraw/zinc/30/49/32/1225304932.db2.gz HSBOCLYLNNTFEU-JXFKEZNVSA-N 3 0 372.517 0.776 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221414734 1225307078 /nfs/dbraw/zinc/30/70/78/1225307078.db2.gz SFWQRHSHBDQKMN-OKZBNKHCSA-N 2 0 354.454 0.603 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000930973443 1211732948 /nfs/dbraw/zinc/73/29/48/1211732948.db2.gz WIOHORQQYOFZDO-QGZVFWFLSA-N 2 0 359.474 0.230 20 0 FCADRP COc1nccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000931255464 1211747463 /nfs/dbraw/zinc/74/74/63/1211747463.db2.gz RQTCNJBYUVWANM-UHFFFAOYSA-N 2 0 356.430 0.822 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cncc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000931658231 1211769176 /nfs/dbraw/zinc/76/91/76/1211769176.db2.gz YJPVJZBDGWICFJ-GASCZTMLSA-N 2 0 359.474 0.310 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031331 1211809268 /nfs/dbraw/zinc/80/92/68/1211809268.db2.gz SPDLMJRPSLQUTH-DGAVXFQQSA-N 2 0 367.494 0.269 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111038912 1211818531 /nfs/dbraw/zinc/81/85/31/1211818531.db2.gz RCIHAPCPZIGHBX-MLHJIOFPSA-N 2 0 369.506 0.218 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933848835 1211848845 /nfs/dbraw/zinc/84/88/45/1211848845.db2.gz RJANUONEEIEYHM-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123805 1211892057 /nfs/dbraw/zinc/89/20/57/1211892057.db2.gz KFIMEINOTUQRHP-HPBDAGMYSA-N 2 0 363.506 0.941 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767633 1211979262 /nfs/dbraw/zinc/97/92/62/1211979262.db2.gz PPWASYYVLKOVKL-SYAUCNOPSA-N 2 0 367.409 0.475 20 0 FCADRP CN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnc4c2CCCC4)C3)C1=O ZINC001095772601 1211987471 /nfs/dbraw/zinc/98/74/71/1211987471.db2.gz XCLOJNPOKYBJGE-KCMWZYNZSA-N 2 0 371.485 0.714 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC000968617363 1212048832 /nfs/dbraw/zinc/04/88/32/1212048832.db2.gz VRQNJOWGTKWYDF-IKGGRYGDSA-N 2 0 371.441 0.120 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274883 1212193511 /nfs/dbraw/zinc/19/35/11/1212193511.db2.gz MEBCHWNGPYJGJP-TVFCKZIOSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)N1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111281362 1212232840 /nfs/dbraw/zinc/23/28/40/1212232840.db2.gz ORJGALSIQXJAJU-WCXIOVBPSA-N 2 0 366.506 0.295 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001111281214 1212233326 /nfs/dbraw/zinc/23/33/26/1212233326.db2.gz JEVNIZPBUCPPDJ-XDNAFOTISA-N 2 0 369.506 0.482 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+]([C@H](C)C(N)=O)CC3)C2)CC[N@@H+]1C ZINC000949098800 1212291168 /nfs/dbraw/zinc/29/11/68/1212291168.db2.gz FNDVXKUMBZAIOP-OWCLPIDISA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111297791 1212479408 /nfs/dbraw/zinc/47/94/08/1212479408.db2.gz VLADJRBBXFAAFH-OAGGEKHMSA-N 2 0 364.490 0.589 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949887509 1212480879 /nfs/dbraw/zinc/48/08/79/1212480879.db2.gz XQGFFGDXAPULMX-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298500 1212493429 /nfs/dbraw/zinc/49/34/29/1212493429.db2.gz AERFARSHGUNZRG-TVFCKZIOSA-N 2 0 371.522 0.464 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001007477068 1212499479 /nfs/dbraw/zinc/49/94/79/1212499479.db2.gz KZZOVGXWHNHNJE-FTRWYGJKSA-N 2 0 360.502 0.531 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007481542 1212503121 /nfs/dbraw/zinc/50/31/21/1212503121.db2.gz NNZFVSBHEJHCFD-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1C ZINC000951249790 1212803569 /nfs/dbraw/zinc/80/35/69/1212803569.db2.gz MJUNQBIHRGESMW-QLFBSQMISA-N 2 0 359.474 0.819 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@@H+]1C ZINC001009280292 1212830771 /nfs/dbraw/zinc/83/07/71/1212830771.db2.gz VBEHESPCTNJDIL-HHARLNAUSA-N 2 0 360.502 0.243 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2ccccc2)C1 ZINC001111406147 1212992097 /nfs/dbraw/zinc/99/20/97/1212992097.db2.gz VVKPUGIBGHZSAO-MANSERQUSA-N 2 0 370.497 0.976 20 0 FCADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824109 1225417336 /nfs/dbraw/zinc/41/73/36/1225417336.db2.gz LQRGBHFUVVUJJY-UYAOXDASSA-N 2 0 366.550 0.708 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000955077437 1213132254 /nfs/dbraw/zinc/13/22/54/1213132254.db2.gz CQDWTXSEMOKBPT-DJIMGWMZSA-N 2 0 366.506 0.105 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957083253 1213247921 /nfs/dbraw/zinc/24/79/21/1213247921.db2.gz RHIRIHURQGMDJJ-BRWVUGGUSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000957087697 1213249187 /nfs/dbraw/zinc/24/91/87/1213249187.db2.gz QZXLEUNBJGEWEI-GDBMZVCRSA-N 2 0 371.485 0.820 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(C)C ZINC001691743941 1213359022 /nfs/dbraw/zinc/35/90/22/1213359022.db2.gz UPOUDGFMXDKLSO-IXDOHACOSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001221772294 1225475860 /nfs/dbraw/zinc/47/58/60/1225475860.db2.gz SMKZISMCCVDRFD-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC001221791324 1225482705 /nfs/dbraw/zinc/48/27/05/1225482705.db2.gz GDQITUAFZGMSPR-JFIYKMOQSA-N 2 0 369.506 0.027 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418864457 1213867307 /nfs/dbraw/zinc/86/73/07/1213867307.db2.gz QTQXYBVHPXJLKJ-XLIONFOSSA-N 2 0 356.470 0.732 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)CC1 ZINC001016625287 1214023230 /nfs/dbraw/zinc/02/32/30/1214023230.db2.gz GKAYSMLXTZGHQX-KURKYZTESA-N 2 0 365.518 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1 ZINC001019149020 1214205835 /nfs/dbraw/zinc/20/58/35/1214205835.db2.gz JSDLFIRKRGLXCS-RRFJBIMHSA-N 2 0 357.458 0.526 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)CC[N@@H+]1C ZINC001019598678 1214272108 /nfs/dbraw/zinc/27/21/08/1214272108.db2.gz CKDKPWOIJVBNTC-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)CC[N@@H+]1C ZINC001019598679 1214272675 /nfs/dbraw/zinc/27/26/75/1214272675.db2.gz CKDKPWOIJVBNTC-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376185 1214323739 /nfs/dbraw/zinc/32/37/39/1214323739.db2.gz ZVEOLEILLIVFAL-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP COc1ncccc1CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946759 1225546585 /nfs/dbraw/zinc/54/65/85/1225546585.db2.gz AWGIECIANIJWHY-NVXWUHKLSA-N 2 0 362.474 0.701 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963043426 1214721083 /nfs/dbraw/zinc/72/10/83/1214721083.db2.gz WJISEACDBCSUTK-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000965977505 1215154710 /nfs/dbraw/zinc/15/47/10/1215154710.db2.gz CWSRECHDYCOJGU-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968011037 1215272674 /nfs/dbraw/zinc/27/26/74/1215272674.db2.gz WHTUKHGXHVQVAN-OLMNPRSZSA-N 2 0 362.518 0.728 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442832 1225624947 /nfs/dbraw/zinc/62/49/47/1225624947.db2.gz NXCAISFOWMRSFB-KURKYZTESA-N 2 0 366.506 0.156 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967944 1215930382 /nfs/dbraw/zinc/93/03/82/1215930382.db2.gz WHDVKSNVUAISGL-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693895 1225646105 /nfs/dbraw/zinc/64/61/05/1225646105.db2.gz HACNXQGESJZCCV-QRVBRYPASA-N 2 0 365.518 0.914 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001001417331 1216191960 /nfs/dbraw/zinc/19/19/60/1216191960.db2.gz AGNDWGPNEKPFTN-GDBMZVCRSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001050328166 1216307598 /nfs/dbraw/zinc/30/75/98/1216307598.db2.gz HNUDNMUOHJIFMV-KBUPBQIOSA-N 2 0 364.494 0.213 20 0 FCADRP CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891586 1225663106 /nfs/dbraw/zinc/66/31/06/1225663106.db2.gz FLOSUHVOVNZGEK-OAGGEKHMSA-N 2 0 359.474 0.819 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001050523685 1216330938 /nfs/dbraw/zinc/33/09/38/1216330938.db2.gz GKTRPYJHRMXADX-BBWFWOEESA-N 2 0 362.518 0.920 20 0 FCADRP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625289 1216469828 /nfs/dbraw/zinc/46/98/28/1216469828.db2.gz YNLAZUNJYJFNDP-DJIMGWMZSA-N 2 0 362.474 0.747 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738641 1216529495 /nfs/dbraw/zinc/52/94/95/1216529495.db2.gz DPYQHTHSXVSXAJ-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057865272 1216597299 /nfs/dbraw/zinc/59/72/99/1216597299.db2.gz XONWMAQQZYYLGL-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827706338 1216642748 /nfs/dbraw/zinc/64/27/48/1216642748.db2.gz LMIUJXFLOJLZKT-ULQDDVLXSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000682035319 1216656408 /nfs/dbraw/zinc/65/64/08/1216656408.db2.gz LNLCHFVOWHRQKE-SFHVURJKSA-N 2 0 362.518 0.794 20 0 FCADRP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387291 1225702435 /nfs/dbraw/zinc/70/24/35/1225702435.db2.gz DIVTVCDQSKCQCO-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223840066 1225739326 /nfs/dbraw/zinc/73/93/26/1225739326.db2.gz XLPWKJLZOIJESV-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223912621 1225745227 /nfs/dbraw/zinc/74/52/27/1225745227.db2.gz WTOQCUZBHGSVOL-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130547 1225760281 /nfs/dbraw/zinc/76/02/81/1225760281.db2.gz PTHRBIFIXGHVGI-KURKYZTESA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001095964915 1217789336 /nfs/dbraw/zinc/78/93/36/1217789336.db2.gz IDBNRZYGOCRXBR-BGTYHANMSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961146 1225771280 /nfs/dbraw/zinc/77/12/80/1225771280.db2.gz ZJZFRSLROQJCEQ-ICSRJNTNSA-N 2 0 366.550 0.709 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C3)n1 ZINC001096015919 1217912950 /nfs/dbraw/zinc/91/29/50/1217912950.db2.gz UHEKSGYBHXFJLL-ZSGPHXLJSA-N 2 0 360.506 0.958 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001045439975 1217929321 /nfs/dbraw/zinc/92/93/21/1217929321.db2.gz FCYFUBWFCCFEQQ-RRFJBIMHSA-N 2 0 364.490 0.493 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900172210 1217966103 /nfs/dbraw/zinc/96/61/03/1217966103.db2.gz XYKLWQWKROCQBP-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cnc(C(=O)N[C@@H](C)CC[NH+](C)C)cn1 ZINC000900695631 1218026272 /nfs/dbraw/zinc/02/62/72/1218026272.db2.gz SQSKDCRTWBGWSJ-KBPBESRZSA-N 2 0 364.494 0.617 20 0 FCADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900808769 1218040065 /nfs/dbraw/zinc/04/00/65/1218040065.db2.gz WUZKFIJANJWLGX-ZWKOTPCHSA-N 2 0 374.533 0.344 20 0 FCADRP Cc1nccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001096259198 1218202393 /nfs/dbraw/zinc/20/23/93/1218202393.db2.gz RDZAPEZKVHLTHR-NVXWUHKLSA-N 2 0 360.506 0.754 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cnn4ccccc34)C2)OCC1=O ZINC001277028269 1225805429 /nfs/dbraw/zinc/80/54/29/1225805429.db2.gz JXACILCINHRMBP-LJQANCHMSA-N 2 0 357.458 0.699 20 0 FCADRP C[C@@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364115 1218268962 /nfs/dbraw/zinc/26/89/62/1218268962.db2.gz KOUAGCMRNRJEAE-YXPYIKCWSA-N 2 0 359.474 0.959 20 0 FCADRP CCn1nnc(C)c1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828659 1218322284 /nfs/dbraw/zinc/32/22/84/1218322284.db2.gz AZQDMHRRKSLTEN-WCXIOVBPSA-N 2 0 360.506 0.837 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048827792 1218323263 /nfs/dbraw/zinc/32/32/63/1218323263.db2.gz GUGFDPZGQSKTKF-XWTMOSNGSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048830761 1218325019 /nfs/dbraw/zinc/32/50/19/1218325019.db2.gz SVKQYWWCHLKXNZ-VVLHAWIVSA-N 2 0 363.506 0.132 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541324 1218428485 /nfs/dbraw/zinc/42/84/85/1218428485.db2.gz NCJNIGWCZKTFCE-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739985 1218512715 /nfs/dbraw/zinc/51/27/15/1218512715.db2.gz RCCJKFWFOKMCQX-ICSRJNTNSA-N 2 0 364.534 0.631 20 0 FCADRP NC(=O)C1(N2CCCCC2)CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903782924 1218525105 /nfs/dbraw/zinc/52/51/05/1218525105.db2.gz UICVIJXZMYCWJZ-QGZVFWFLSA-N 2 0 364.534 0.951 20 0 FCADRP O=C(CCc1ncc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001225969941 1225829628 /nfs/dbraw/zinc/82/96/28/1225829628.db2.gz VQMAFWUOYCJPKO-CHWSQXEVSA-N 2 0 360.418 0.986 20 0 FCADRP CC[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095350 1218687748 /nfs/dbraw/zinc/68/77/48/1218687748.db2.gz JVPYOQPWCXDDAI-MIGQKNRLSA-N 2 0 362.478 0.044 20 0 FCADRP O=C(NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001226297630 1225839436 /nfs/dbraw/zinc/83/94/36/1225839436.db2.gz WTERRGKPGOYVCS-RCCFBDPRSA-N 2 0 362.518 0.871 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316029 1225839795 /nfs/dbraw/zinc/83/97/95/1225839795.db2.gz KVUYNDIUYQGQLL-ARFHVFGLSA-N 2 0 367.494 0.083 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001097779147 1218845056 /nfs/dbraw/zinc/84/50/56/1218845056.db2.gz IDBNRZYGOCRXBR-DDBAPUKQSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCc4cnn(C)c4)C3)C2)CC[N@@H+]1C ZINC001053807029 1218892127 /nfs/dbraw/zinc/89/21/27/1218892127.db2.gz YOERMPQKISZSML-DJIMGWMZSA-N 2 0 361.490 0.262 20 0 FCADRP CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CCCC[C@H]1NCc1ncccn1 ZINC001226781972 1225854148 /nfs/dbraw/zinc/85/41/48/1225854148.db2.gz GMYSJTNXDFWNPI-BRWVUGGUSA-N 2 0 371.489 0.821 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226800398 1225854494 /nfs/dbraw/zinc/85/44/94/1225854494.db2.gz KKUJOYDOCNVDDC-IIAWOOMASA-N 2 0 367.494 0.189 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)C1CCC1 ZINC001226824018 1225855226 /nfs/dbraw/zinc/85/52/26/1225855226.db2.gz IKLMYTORIQVRGJ-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001226892175 1225857251 /nfs/dbraw/zinc/85/72/51/1225857251.db2.gz ZJNBPUQMMRBVFG-GVDBMIGSSA-N 2 0 365.522 0.903 20 0 FCADRP COc1ncc(F)cc1CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277166390 1225858261 /nfs/dbraw/zinc/85/82/61/1225858261.db2.gz UWKVXRZBVSWSKZ-GOSISDBHSA-N 2 0 366.437 0.594 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001227150459 1225864861 /nfs/dbraw/zinc/86/48/61/1225864861.db2.gz RQBCLOPKGLKFRI-MGPQQGTHSA-N 2 0 369.510 0.578 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227158805 1225865000 /nfs/dbraw/zinc/86/50/00/1225865000.db2.gz PQYIVOIXSXYHPC-HZPDHXFCSA-N 2 0 370.538 0.886 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]3C2)CC[N@@H+]1C ZINC001055358814 1219033552 /nfs/dbraw/zinc/03/35/52/1219033552.db2.gz NYRQPBFLHGAWJB-XWTMOSNGSA-N 2 0 364.534 0.975 20 0 FCADRP CN(CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001227184482 1225865140 /nfs/dbraw/zinc/86/51/40/1225865140.db2.gz LFXZAZWCFPGPAK-ZACQAIPSSA-N 2 0 359.474 0.813 20 0 FCADRP CN(CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)c1cc[nH+]cc1 ZINC001227184454 1225865171 /nfs/dbraw/zinc/86/51/71/1225865171.db2.gz JJDYUFLUNLPANH-QZTJIDSGSA-N 2 0 364.490 0.934 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001227166579 1225865380 /nfs/dbraw/zinc/86/53/80/1225865380.db2.gz WAYXTAQSDIEUMC-HZPDHXFCSA-N 2 0 370.538 0.886 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804051104 1219104015 /nfs/dbraw/zinc/10/40/15/1219104015.db2.gz NEDUCXRAWAHLAT-TWMKSMIVSA-N 2 0 364.490 0.051 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804051826 1219104532 /nfs/dbraw/zinc/10/45/32/1219104532.db2.gz VUVNAEAGPCRINK-IKGGRYGDSA-N 2 0 366.506 0.060 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804055943 1219109318 /nfs/dbraw/zinc/10/93/18/1219109318.db2.gz PTHGOYWYVLQNDW-IRXDYDNUSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(-c3cc[nH+]cc3)cn1)C2 ZINC001277200452 1225870897 /nfs/dbraw/zinc/87/08/97/1225870897.db2.gz FFJDYVBRTXPNQX-WBVHZDCISA-N 2 0 354.458 0.975 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070209142 1219294862 /nfs/dbraw/zinc/29/48/62/1219294862.db2.gz NTQNTQZYPYRWHP-MSOLQXFVSA-N 2 0 369.473 0.699 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070234795 1219310604 /nfs/dbraw/zinc/31/06/04/1219310604.db2.gz IFDPTKJOFYUUTI-SJORKVTESA-N 2 0 351.414 0.991 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001227742692 1225883585 /nfs/dbraw/zinc/88/35/85/1225883585.db2.gz UBWIOBNQQNRDHR-ZIAGYGMSSA-N 2 0 367.494 0.463 20 0 FCADRP COc1cnc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277237705 1225884195 /nfs/dbraw/zinc/88/41/95/1225884195.db2.gz BXZFTVKKNFLNPU-SFHVURJKSA-N 2 0 361.446 0.388 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070327055 1219377436 /nfs/dbraw/zinc/37/74/36/1219377436.db2.gz PUHNBJMTHDINOB-OTWHNJEPSA-N 2 0 368.485 0.814 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001070354486 1219390523 /nfs/dbraw/zinc/39/05/23/1219390523.db2.gz LRTYXOPFHXJALT-KKUMJFAQSA-N 2 0 364.494 0.776 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)[nH]2)C1 ZINC001070357445 1219395275 /nfs/dbraw/zinc/39/52/75/1219395275.db2.gz NYFYUQOFABNQAU-ILXRZTDVSA-N 2 0 362.478 0.245 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070475136 1219425504 /nfs/dbraw/zinc/42/55/04/1219425504.db2.gz GCQFMWCSCQOWQW-CGTJXYLNSA-N 2 0 371.489 0.332 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070500688 1219441248 /nfs/dbraw/zinc/44/12/48/1219441248.db2.gz BXVGXAWDUJJEEC-XYJFISCASA-N 2 0 363.506 0.559 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534640 1219457557 /nfs/dbraw/zinc/45/75/57/1219457557.db2.gz FVKYYGDDLAKMKU-YQQAZPJKSA-N 2 0 363.506 0.417 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070543312 1219461077 /nfs/dbraw/zinc/46/10/77/1219461077.db2.gz UVLSDIGTEVCAPN-UWWQBHOKSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070564098 1219471565 /nfs/dbraw/zinc/47/15/65/1219471565.db2.gz VBRXHVWEWZYEMR-QILLFSRXSA-N 2 0 371.489 0.190 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n[nH]2)C1 ZINC001070577064 1219477688 /nfs/dbraw/zinc/47/76/88/1219477688.db2.gz MVUABAAOROATCW-SOUVJXGZSA-N 2 0 362.478 0.592 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070629224 1219494475 /nfs/dbraw/zinc/49/44/75/1219494475.db2.gz FQVXRFFVZWSVEK-BRWVUGGUSA-N 2 0 371.489 0.332 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277273671 1225898311 /nfs/dbraw/zinc/89/83/11/1225898311.db2.gz BPZZMGPLSZHLLG-SJORKVTESA-N 2 0 362.518 0.870 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001070719121 1219541612 /nfs/dbraw/zinc/54/16/12/1219541612.db2.gz TVRRUEYDPZXATM-GVDBMIGSSA-N 2 0 361.490 0.436 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913088 1219566110 /nfs/dbraw/zinc/56/61/10/1219566110.db2.gz BBDQEMDWJHXARI-XHSDSOJGSA-N 2 0 364.490 0.987 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070922390 1219579071 /nfs/dbraw/zinc/57/90/71/1219579071.db2.gz JECDYTBMINIBAI-OAGGEKHMSA-N 2 0 362.474 0.597 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC001228265823 1225906652 /nfs/dbraw/zinc/90/66/52/1225906652.db2.gz ZKEKCBODABZJMB-IKGGRYGDSA-N 2 0 368.522 0.584 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254809 1225904029 /nfs/dbraw/zinc/90/40/29/1225904029.db2.gz JUHOCXAYVMSZHI-RRFJBIMHSA-N 2 0 369.510 0.579 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239768 1225905089 /nfs/dbraw/zinc/90/50/89/1225905089.db2.gz YUWLCKZMSZFSOJ-ZIAGYGMSSA-N 2 0 367.494 0.191 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074618016 1219704712 /nfs/dbraw/zinc/70/47/12/1219704712.db2.gz REQBYYRYAIZEKP-HZPDHXFCSA-N 2 0 368.522 0.137 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355709 1225914322 /nfs/dbraw/zinc/91/43/22/1225914322.db2.gz RXUFLTLAMCMGCX-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399034 1219773787 /nfs/dbraw/zinc/77/37/87/1219773787.db2.gz VQHMSYBTFFWCPJ-TVFCKZIOSA-N 2 0 356.470 0.959 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cncn2)C3)CC1 ZINC001099092830 1219909873 /nfs/dbraw/zinc/90/98/73/1219909873.db2.gz OJAUSKUZJOBSBI-HKUYNNGSSA-N 2 0 360.506 0.981 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001228529877 1225932114 /nfs/dbraw/zinc/93/21/14/1225932114.db2.gz XZGVWGHQUPJCQJ-IJLUTSLNSA-N 2 0 362.434 0.042 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)nn1 ZINC001099489459 1220013042 /nfs/dbraw/zinc/01/30/42/1220013042.db2.gz YZVOIERYOTYWDP-LPHOPBHVSA-N 2 0 360.506 0.875 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001099496596 1220014543 /nfs/dbraw/zinc/01/45/43/1220014543.db2.gz HIZTZUYDWNWMEG-DEYYWGMASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099496087 1220014662 /nfs/dbraw/zinc/01/46/62/1220014662.db2.gz ADDHHBJJYGQJED-VKJFTORMSA-N 2 0 361.494 0.413 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001099517864 1220020707 /nfs/dbraw/zinc/02/07/07/1220020707.db2.gz IJYCEPOICGBJBN-ZWOKBUDYSA-N 2 0 362.518 0.825 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001099525740 1220024051 /nfs/dbraw/zinc/02/40/51/1220024051.db2.gz UMZBEVBNZSFEDO-UVFQYZLESA-N 2 0 371.485 0.868 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001099539805 1220028445 /nfs/dbraw/zinc/02/84/45/1220028445.db2.gz CFQUYKVGYINQBL-ZWOKBUDYSA-N 2 0 362.518 0.969 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240707 1220240689 /nfs/dbraw/zinc/24/06/89/1220240689.db2.gz FVDCIADPQUIWIT-GGPKGHCWSA-N 2 0 365.518 0.772 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241092 1220241418 /nfs/dbraw/zinc/24/14/18/1220241418.db2.gz QFZNSUXIAXNWTE-UWVAXJGDSA-N 2 0 362.518 0.587 20 0 FCADRP CN(CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)c1cc[nH+]cc1 ZINC001101286456 1220268207 /nfs/dbraw/zinc/26/82/07/1220268207.db2.gz YMOPMAQOKVLZPJ-SYNHAJSKSA-N 2 0 371.485 0.577 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101344823 1220295648 /nfs/dbraw/zinc/29/56/48/1220295648.db2.gz FVHGEKDDUUFSTG-MDZRGWNJSA-N 2 0 360.506 0.888 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1 ZINC001101351520 1220298401 /nfs/dbraw/zinc/29/84/01/1220298401.db2.gz IVXAFFNAXVWRMY-HLIPFELVSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101353195 1220298494 /nfs/dbraw/zinc/29/84/94/1220298494.db2.gz VPKUJIZTKMBKLF-HLIPFELVSA-N 2 0 364.534 0.879 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368739 1220304886 /nfs/dbraw/zinc/30/48/86/1220304886.db2.gz KNWIJYULBBTXKI-GUXCAODWSA-N 2 0 364.534 0.975 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001101413530 1220329895 /nfs/dbraw/zinc/32/98/95/1220329895.db2.gz QWICFAMMXOMCJD-HBFSDRIKSA-N 2 0 367.534 0.894 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418579 1220333279 /nfs/dbraw/zinc/33/32/79/1220333279.db2.gz ZAPNMSBQJZBBJP-GJYPPUQNSA-N 2 0 360.506 0.888 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432448 1220340749 /nfs/dbraw/zinc/34/07/49/1220340749.db2.gz SHSZRUDOGGQWBH-FCEWJHQRSA-N 2 0 368.522 0.260 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101435598 1220344857 /nfs/dbraw/zinc/34/48/57/1220344857.db2.gz YNRLEVQGJMJWNT-CLCXKQKWSA-N 2 0 364.490 0.304 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438848 1220345151 /nfs/dbraw/zinc/34/51/51/1220345151.db2.gz XQUKQUCBHGMVRL-IYOUNJFTSA-N 2 0 367.494 0.082 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101443486 1220347673 /nfs/dbraw/zinc/34/76/73/1220347673.db2.gz HEZGWDMZPBBCPM-APWZRJJASA-N 2 0 367.538 0.816 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047758 1220477500 /nfs/dbraw/zinc/47/75/00/1220477500.db2.gz RXRBJOUGIDWCBT-LSBZLQRGSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051612 1220479443 /nfs/dbraw/zinc/47/94/43/1220479443.db2.gz ALKGUVPWQHHQGZ-INMHGKMJSA-N 2 0 360.506 0.934 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070210 1220486305 /nfs/dbraw/zinc/48/63/05/1220486305.db2.gz ASFSUHWTYWZRPD-NUJGCVRESA-N 2 0 370.538 0.409 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102100986 1220495450 /nfs/dbraw/zinc/49/54/50/1220495450.db2.gz HFQPHNMZXVATIE-HUUCEWRRSA-N 2 0 366.506 0.550 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108314 1220499740 /nfs/dbraw/zinc/49/97/40/1220499740.db2.gz GUBJQHMMFRTDEN-HZPDHXFCSA-N 2 0 361.490 0.680 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290480 1220576085 /nfs/dbraw/zinc/57/60/85/1220576085.db2.gz GFQRCHACSSIYGP-IXDOHACOSA-N 2 0 364.534 0.929 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312643 1220582730 /nfs/dbraw/zinc/58/27/30/1220582730.db2.gz HECOTYZDNUJHCB-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376906 1220599754 /nfs/dbraw/zinc/59/97/54/1220599754.db2.gz BVDYTIYVEJWWFP-SOLBZPMBSA-N 2 0 360.502 0.719 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513235 1220671970 /nfs/dbraw/zinc/67/19/70/1220671970.db2.gz AXNQDOVGNMEDAH-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513454 1220672249 /nfs/dbraw/zinc/67/22/49/1220672249.db2.gz LGKUBYHJSARTIS-KURKYZTESA-N 2 0 371.522 0.444 20 0 FCADRP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514060 1220673110 /nfs/dbraw/zinc/67/31/10/1220673110.db2.gz LFYAADIJDNXEQH-OWCLPIDISA-N 2 0 370.538 0.552 20 0 FCADRP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102514362 1220673861 /nfs/dbraw/zinc/67/38/61/1220673861.db2.gz UXMCVMZBBCOIKU-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515506 1220675022 /nfs/dbraw/zinc/67/50/22/1220675022.db2.gz WSFUWGUWWLFRCU-NVXWUHKLSA-N 2 0 362.518 0.683 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524538 1220681124 /nfs/dbraw/zinc/68/11/24/1220681124.db2.gz KORPGCWTWLMMHD-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781990 1220782695 /nfs/dbraw/zinc/78/26/95/1220782695.db2.gz FXDPCUJLWFUVHG-ZACQAIPSSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993929 1220817538 /nfs/dbraw/zinc/81/75/38/1220817538.db2.gz KFZFZQFFIACUNT-KBAYOESNSA-N 2 0 360.506 0.694 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993602 1220817685 /nfs/dbraw/zinc/81/76/85/1220817685.db2.gz CGHAPPLAYAQCBG-QGPMSJSTSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001103005154 1220819012 /nfs/dbraw/zinc/81/90/12/1220819012.db2.gz TWKJBTTUIVDIJX-QBPKDAKJSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001103136882 1220839152 /nfs/dbraw/zinc/83/91/52/1220839152.db2.gz RPQUZDRUCYPHJQ-QZTJIDSGSA-N 2 0 367.534 0.946 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185586 1220847515 /nfs/dbraw/zinc/84/75/15/1220847515.db2.gz FNDOFILFTHXONN-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364520 1220871484 /nfs/dbraw/zinc/87/14/84/1220871484.db2.gz JXKCDUNDHBBXMF-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398443 1220877218 /nfs/dbraw/zinc/87/72/18/1220877218.db2.gz SLIFIHCBZYTCBK-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103434336 1220882380 /nfs/dbraw/zinc/88/23/80/1220882380.db2.gz ZOCBSAYQWQVMMM-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103550326 1220899352 /nfs/dbraw/zinc/89/93/52/1220899352.db2.gz KNLTYSAYLMLIFJ-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642252 1220925664 /nfs/dbraw/zinc/92/56/64/1220925664.db2.gz WQKWDIYUQBHRPN-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719199 1220951171 /nfs/dbraw/zinc/95/11/71/1220951171.db2.gz UUNIOKJQZFVBNU-KBAYOESNSA-N 2 0 360.502 0.911 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755565 1220966056 /nfs/dbraw/zinc/96/60/56/1220966056.db2.gz LLQGUSFFRWRHSA-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC001111502863 1221025274 /nfs/dbraw/zinc/02/52/74/1221025274.db2.gz YDTDWHNACIOHCW-AHCXZYCDSA-N 2 0 374.441 0.775 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111776197 1221104296 /nfs/dbraw/zinc/10/42/96/1221104296.db2.gz TXMOLXVZDJFYSK-BJLQDIEVSA-N 2 0 367.534 0.944 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2)C1CCC1 ZINC001111778760 1221104873 /nfs/dbraw/zinc/10/48/73/1221104873.db2.gz KPDKFKOJCBCSBW-JXFKEZNVSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000888092322 1221136973 /nfs/dbraw/zinc/13/69/73/1221136973.db2.gz ULAHAHVPGCWSKN-HXUWFJFHSA-N 2 0 373.497 0.980 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCNC(C)=O)C2)[NH+](C)C ZINC001111875404 1221146335 /nfs/dbraw/zinc/14/63/35/1221146335.db2.gz ZDVBTISRNJWGBA-LNLFQRSKSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C3(C)OCCO3)C1)C2=O ZINC000784038330 1221229136 /nfs/dbraw/zinc/22/91/36/1221229136.db2.gz RPHMBJRNKLRKFN-AWEZNQCLSA-N 2 0 366.462 0.435 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C3(C)OCCO3)C1)C2=O ZINC000784038332 1221229358 /nfs/dbraw/zinc/22/93/58/1221229358.db2.gz RPHMBJRNKLRKFN-CQSZACIVSA-N 2 0 366.462 0.435 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001112285084 1221230437 /nfs/dbraw/zinc/23/04/37/1221230437.db2.gz LJHDQKYARNXKLB-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)CC[N@@H+]1C ZINC001112359746 1221245502 /nfs/dbraw/zinc/24/55/02/1221245502.db2.gz IXCVWTNPVWUANK-NTDBWNAOSA-N 2 0 360.506 0.837 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)n1 ZINC001112358675 1221245738 /nfs/dbraw/zinc/24/57/38/1221245738.db2.gz MDMARMBMJUPLNG-LPHOPBHVSA-N 2 0 363.506 0.659 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CC1 ZINC001112399321 1221252538 /nfs/dbraw/zinc/25/25/38/1221252538.db2.gz NIUPOYHVGQTKRP-LNLFQRSKSA-N 2 0 360.506 0.837 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H]3C(=O)NCC[C@H]3C)cc2)CC1 ZINC000799346054 1221309836 /nfs/dbraw/zinc/30/98/36/1221309836.db2.gz VKRXQWVSHKUUAM-DNVCBOLYSA-N 2 0 373.501 0.881 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001116653096 1221376741 /nfs/dbraw/zinc/37/67/41/1221376741.db2.gz YEIINBBBLMTVCE-IBGZPJMESA-N 2 0 367.582 0.399 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229868940 1226038505 /nfs/dbraw/zinc/03/85/05/1226038505.db2.gz QJOXTOWNPXYZER-GVDBMIGSSA-N 2 0 368.522 0.329 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117311819 1221514642 /nfs/dbraw/zinc/51/46/42/1221514642.db2.gz OXONFOVVFRGRHW-DLBZAZTESA-N 2 0 367.538 0.119 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC001117481936 1221554899 /nfs/dbraw/zinc/55/48/99/1221554899.db2.gz LGZQFVOVMHNLLP-DLBZAZTESA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001117604198 1221587518 /nfs/dbraw/zinc/58/75/18/1221587518.db2.gz OSSRLYHWKXHNAP-GUDVDZBRSA-N 2 0 372.513 0.640 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001117956068 1221667331 /nfs/dbraw/zinc/66/73/31/1221667331.db2.gz VBZHOMRMBWAZTO-INIZCTEOSA-N 2 0 361.490 0.785 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001118098835 1221709220 /nfs/dbraw/zinc/70/92/20/1221709220.db2.gz BDHOZAMCXWVCJK-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3cn(CCCC[NH3+])nn3)CC2)CC1 ZINC001118195312 1221730780 /nfs/dbraw/zinc/73/07/80/1221730780.db2.gz KJMDKXXRPMAURT-UHFFFAOYSA-N 2 0 363.510 0.305 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC001118330741 1221761736 /nfs/dbraw/zinc/76/17/36/1221761736.db2.gz YCSZXCJSNWZYRC-DRRXZNNHSA-N 2 0 366.506 0.330 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001119299136 1221898016 /nfs/dbraw/zinc/89/80/16/1221898016.db2.gz DHNQHSNGTIYVJZ-INIZCTEOSA-N 2 0 362.478 0.433 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001119317915 1221899041 /nfs/dbraw/zinc/89/90/41/1221899041.db2.gz OGVNEBZBNOULCL-GBESFXJTSA-N 2 0 364.534 0.535 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119352395 1221903925 /nfs/dbraw/zinc/90/39/25/1221903925.db2.gz MBGRYUNJEFNYTB-DOTOQJQBSA-N 2 0 361.490 0.748 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC001119402100 1221912264 /nfs/dbraw/zinc/91/22/64/1221912264.db2.gz MWRRZZSSJJUONF-MAUKXSAKSA-N 2 0 358.486 0.808 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC001119417904 1221914729 /nfs/dbraw/zinc/91/47/29/1221914729.db2.gz JFZISSUCTXJXFQ-WKILWMFISA-N 2 0 362.474 0.487 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1 ZINC001119544494 1221931103 /nfs/dbraw/zinc/93/11/03/1221931103.db2.gz CXUJCWNDXJNCDV-UHFFFAOYSA-N 2 0 359.474 0.754 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)c2)CC1 ZINC001120376895 1222074500 /nfs/dbraw/zinc/07/45/00/1222074500.db2.gz NQNCBLWCBVVOFD-VQTJNVASSA-N 2 0 363.502 0.426 20 0 FCADRP COC1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCOCC1 ZINC001120527000 1222100640 /nfs/dbraw/zinc/10/06/40/1222100640.db2.gz KDXLDAAASNYTCH-CALCHBBNSA-N 2 0 366.506 0.792 20 0 FCADRP CC(C)(C)NC(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120590330 1222107429 /nfs/dbraw/zinc/10/74/29/1222107429.db2.gz NGCPCWTWNDBOGE-IYBDPMFKSA-N 2 0 365.522 0.901 20 0 FCADRP C[NH+]1CC[C@]2(CCN(c3ncnc(N4CC[C@@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC001120935057 1222130996 /nfs/dbraw/zinc/13/09/96/1222130996.db2.gz NDMKKILVTGRBCL-KDURUIRLSA-N 2 0 357.506 0.936 20 0 FCADRP O=C([C@H]1CN(Cc2ccccc2)CCO1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265322 1222256932 /nfs/dbraw/zinc/25/69/32/1222256932.db2.gz KTPKDXCSEFUOJX-MRXNPFEDSA-N 2 0 358.442 0.273 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)c3cnccc32)CC1 ZINC001122448543 1222275616 /nfs/dbraw/zinc/27/56/16/1222275616.db2.gz NDZVAAGQHLBVIX-GOSISDBHSA-N 2 0 355.442 0.914 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601179 1222342610 /nfs/dbraw/zinc/34/26/10/1222342610.db2.gz SDKIKBPMCPWYOO-HOCLYGCPSA-N 2 0 369.485 0.400 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231700673 1226117383 /nfs/dbraw/zinc/11/73/83/1226117383.db2.gz JPPRVCDADRZQDM-UHFFFAOYSA-N 2 0 374.445 0.691 20 0 FCADRP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123695606 1222351857 /nfs/dbraw/zinc/35/18/57/1222351857.db2.gz UXMFGXVADWMSLV-FUHWJXTLSA-N 2 0 367.538 0.375 20 0 FCADRP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cn(C)c(=O)n(C)c4=O)C[C@H]3C2)cc1 ZINC001231767491 1226124208 /nfs/dbraw/zinc/12/42/08/1226124208.db2.gz IQRSVLDFWNCYDW-HDICACEKSA-N 2 0 368.481 0.956 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000829214449 1222430884 /nfs/dbraw/zinc/43/08/84/1222430884.db2.gz BVPKGDUTTOLWDY-UHFFFAOYSA-N 2 0 366.506 0.430 20 0 FCADRP CNc1nccc(CN2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140040778 1222565361 /nfs/dbraw/zinc/56/53/61/1222565361.db2.gz ITLSJBYTNJKFFR-GDBMZVCRSA-N 2 0 362.478 0.129 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001140974555 1222626151 /nfs/dbraw/zinc/62/61/51/1222626151.db2.gz CUOLBINAMJTUGT-UHFFFAOYSA-N 2 0 357.458 0.612 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838302256 1222677120 /nfs/dbraw/zinc/67/71/20/1222677120.db2.gz OKINPPJLVGADEY-IRXDYDNUSA-N 2 0 367.538 0.565 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1[nH]nc3c1CCC3)CC2 ZINC001232427635 1226151894 /nfs/dbraw/zinc/15/18/94/1226151894.db2.gz RYYKLKUOUBCBSL-UHFFFAOYSA-N 2 0 374.533 0.569 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc(N)nc3)CC2)C1 ZINC001232367668 1226150119 /nfs/dbraw/zinc/15/01/19/1226150119.db2.gz OESNJDGOWUPAPI-UHFFFAOYSA-N 2 0 361.490 0.666 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109927 1222808279 /nfs/dbraw/zinc/80/82/79/1222808279.db2.gz OIUKLAYKASSHCH-WMLDXEAASA-N 2 0 360.458 0.905 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841144433 1222809971 /nfs/dbraw/zinc/80/99/71/1222809971.db2.gz ZSBFGPFZTXDSEE-HNNXBMFYSA-N 2 0 359.474 0.717 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000842096451 1222835454 /nfs/dbraw/zinc/83/54/54/1222835454.db2.gz BGDLMAAWSUJVLN-FGTMMUONSA-N 2 0 358.486 0.930 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000842088481 1222835479 /nfs/dbraw/zinc/83/54/79/1222835479.db2.gz OYZBGTHXMBRCHX-QGZVFWFLSA-N 2 0 366.506 0.333 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191066 1222839661 /nfs/dbraw/zinc/83/96/61/1222839661.db2.gz WOGOSRUYXWDUOO-FXAWDEMLSA-N 2 0 358.486 0.883 20 0 FCADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000843057867 1222858119 /nfs/dbraw/zinc/85/81/19/1222858119.db2.gz NAALLSBNBJYCAJ-SJLPKXTDSA-N 2 0 374.485 0.631 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354334 1222872942 /nfs/dbraw/zinc/87/29/42/1222872942.db2.gz ZCCHPXFJMZLRAS-UONOGXRCSA-N 2 0 365.478 0.722 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386258 1222874627 /nfs/dbraw/zinc/87/46/27/1222874627.db2.gz DVCFXBDSTMGDAF-IRXDYDNUSA-N 2 0 366.506 0.999 20 0 FCADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378474 1222874706 /nfs/dbraw/zinc/87/47/06/1222874706.db2.gz ZQZCAUANZHXYEJ-CQSZACIVSA-N 2 0 365.478 0.723 20 0 FCADRP c1ccc2c(c1)nc(N1CC[NH2+]CC1)n2-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001155579224 1223038447 /nfs/dbraw/zinc/03/84/47/1223038447.db2.gz ZPDIAHQVYWKDNT-UHFFFAOYSA-N 2 0 364.457 0.635 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)c2ccc(N3CC[NH2+]CC3)nn2)COC1 ZINC001156633051 1223060559 /nfs/dbraw/zinc/06/05/59/1223060559.db2.gz YBIBIFCRMMQMPA-UHFFFAOYSA-N 2 0 354.458 0.621 20 0 FCADRP CCOC(=O)C1CCN(c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)CC1 ZINC001157096887 1223067217 /nfs/dbraw/zinc/06/72/17/1223067217.db2.gz ONXIEBRSBGAQTK-UHFFFAOYSA-N 2 0 363.466 0.931 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001157083556 1223067608 /nfs/dbraw/zinc/06/76/08/1223067608.db2.gz VSYNRFATGJBZHF-IRXDYDNUSA-N 2 0 356.426 0.742 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)c1ccc2c(n1)CC[NH2+]C2)C(=O)N1CCCC1 ZINC001157404271 1223076336 /nfs/dbraw/zinc/07/63/36/1223076336.db2.gz OENPTYHAWJWXLS-KRWDZBQOSA-N 2 0 359.474 0.577 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC001157449124 1223076670 /nfs/dbraw/zinc/07/66/70/1223076670.db2.gz SETOVDHWRTVYGJ-KBPBESRZSA-N 2 0 370.494 0.138 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1 ZINC001157721466 1223081128 /nfs/dbraw/zinc/08/11/28/1223081128.db2.gz YAJPZUHQICZTQI-JTDSTZFVSA-N 2 0 372.469 0.954 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccnc(N4CCOCC4)n3)CC2)CC1 ZINC001157841623 1223082712 /nfs/dbraw/zinc/08/27/12/1223082712.db2.gz GZRLQDXFYIENGZ-UHFFFAOYSA-N 2 0 360.506 0.777 20 0 FCADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157850238 1223082884 /nfs/dbraw/zinc/08/28/84/1223082884.db2.gz XJUJMPGCLMTWRR-WCVJEAGWSA-N 2 0 368.522 0.706 20 0 FCADRP C[NH+]1CCN(c2nccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)n2)CC1 ZINC001158047207 1223088012 /nfs/dbraw/zinc/08/80/12/1223088012.db2.gz XBYCOBOKISEYPI-UHFFFAOYSA-N 2 0 351.418 0.330 20 0 FCADRP O=C(CC1(c2ccccc2F)CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102383 1223088904 /nfs/dbraw/zinc/08/89/04/1223088904.db2.gz QQQKTUOLPHMBMO-FQEVSTJZSA-N 2 0 374.460 0.528 20 0 FCADRP O=C(c1ccc(CC2CC[NH2+]CC2)cc1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111926 1223088936 /nfs/dbraw/zinc/08/89/36/1223088936.db2.gz SQSHDKQSCFXVTA-FQEVSTJZSA-N 2 0 356.470 0.533 20 0 FCADRP Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)C2)c1 ZINC001158102594 1223089117 /nfs/dbraw/zinc/08/91/17/1223089117.db2.gz UKMAEXJJKUXDBY-FUHIMQAGSA-N 2 0 356.470 0.206 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)c(C)c1 ZINC001158111059 1223089276 /nfs/dbraw/zinc/08/92/76/1223089276.db2.gz JVZPAJYQTGGSJQ-JXFKEZNVSA-N 2 0 356.470 0.111 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138384 1223089332 /nfs/dbraw/zinc/08/93/32/1223089332.db2.gz UATONZBIHNCEHI-GUDVDZBRSA-N 2 0 373.497 0.897 20 0 FCADRP O=C(c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179305 1223090327 /nfs/dbraw/zinc/09/03/27/1223090327.db2.gz JPIXPUNRFJRIQY-DNVCBOLYSA-N 2 0 369.465 0.955 20 0 FCADRP O=C(c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158167046 1223090338 /nfs/dbraw/zinc/09/03/38/1223090338.db2.gz HQMGEICLYWLJGO-IRXDYDNUSA-N 2 0 354.454 0.844 20 0 FCADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001158180509 1223090656 /nfs/dbraw/zinc/09/06/56/1223090656.db2.gz YIZXTRIGXJKELH-QQTQMKHKSA-N 2 0 356.470 0.159 20 0 FCADRP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262562 1223092142 /nfs/dbraw/zinc/09/21/42/1223092142.db2.gz STWYTNBJHCOMLU-DNVCBOLYSA-N 2 0 374.489 0.248 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@H]1c1cccnc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260522 1223092614 /nfs/dbraw/zinc/09/26/14/1223092614.db2.gz FGWNFOCZHCHSAR-WBVHZDCISA-N 2 0 367.457 0.445 20 0 FCADRP CO[C@H]([C@@H](C)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC001158277566 1223093532 /nfs/dbraw/zinc/09/35/32/1223093532.db2.gz PVNRDGKQXSJSIP-IJEWVQPXSA-N 2 0 362.478 0.102 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319557 1223094414 /nfs/dbraw/zinc/09/44/14/1223094414.db2.gz IEXNKNDRBDEYPR-IAGOWNOFSA-N 2 0 354.454 0.900 20 0 FCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335554 1223095059 /nfs/dbraw/zinc/09/50/59/1223095059.db2.gz BTBXIUGUQFBZHC-OKYOBFRVSA-N 2 0 368.481 0.827 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380091 1223096001 /nfs/dbraw/zinc/09/60/01/1223096001.db2.gz LYYKKUCZQPAJSL-UKRRQHHQSA-N 2 0 364.494 0.412 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001158379566 1223096192 /nfs/dbraw/zinc/09/61/92/1223096192.db2.gz CLJMAHPGWKSRHB-HLLBOEOZSA-N 2 0 364.494 0.251 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)c1c[nH+]ccc1N)C2 ZINC001158395279 1223096709 /nfs/dbraw/zinc/09/67/09/1223096709.db2.gz UPTRQJIJIJNTQO-CABCVRRESA-N 2 0 372.347 0.651 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC001158424472 1223097149 /nfs/dbraw/zinc/09/71/49/1223097149.db2.gz RZHXKIUCMGWPPV-XLAORIBOSA-N 2 0 356.470 0.429 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158415766 1223097452 /nfs/dbraw/zinc/09/74/52/1223097452.db2.gz ODMTWYKBVNVOFF-OTWHNJEPSA-N 2 0 369.469 0.890 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C2 ZINC001158466815 1223099320 /nfs/dbraw/zinc/09/93/20/1223099320.db2.gz BMOYSFLJKABGQP-IQUTYRLHSA-N 2 0 367.490 0.256 20 0 FCADRP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001158533581 1223101662 /nfs/dbraw/zinc/10/16/62/1223101662.db2.gz OCCFWNQUSBEKKD-HGHGUNKESA-N 2 0 370.497 0.973 20 0 FCADRP O=C([C@@H](c1ccco1)N1CCC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533281 1223101785 /nfs/dbraw/zinc/10/17/85/1223101785.db2.gz JRAQPTBETBHIPL-IXIUHKBRSA-N 2 0 374.485 0.595 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@]34C(=O)Nc3ccccc34)C[C@H]2CF)CC1 ZINC001158566632 1223102339 /nfs/dbraw/zinc/10/23/39/1223102339.db2.gz BXJIMSLYCSCSIE-UTIMDCKPSA-N 2 0 372.444 0.631 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555270 1223102365 /nfs/dbraw/zinc/10/23/65/1223102365.db2.gz KXXSXEYANNJEPC-MLYOOKFZSA-N 2 0 357.454 0.743 20 0 FCADRP O=C(c1cccnc1N1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548724 1223102464 /nfs/dbraw/zinc/10/24/64/1223102464.db2.gz XSIIWVCPEXZGMM-SPYBWZPUSA-N 2 0 357.458 0.084 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001158641599 1223103746 /nfs/dbraw/zinc/10/37/46/1223103746.db2.gz KEBBMXAPRVOXRF-RDTXWAMCSA-N 2 0 361.446 0.339 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158644169 1223104255 /nfs/dbraw/zinc/10/42/55/1223104255.db2.gz ZLHJELYLFBVCNZ-KXBFYZLASA-N 2 0 359.474 0.741 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734791 1223106129 /nfs/dbraw/zinc/10/61/29/1223106129.db2.gz FKTLWFYIYCMCSH-XSLAGTTESA-N 2 0 362.474 0.936 20 0 FCADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ncnc2c1CC[NH2+]CC2 ZINC001158758656 1223107186 /nfs/dbraw/zinc/10/71/86/1223107186.db2.gz CHTJLSYVYLKKNG-AUUYWEPGSA-N 3 0 358.490 0.105 20 0 FCADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158791539 1223109280 /nfs/dbraw/zinc/10/92/80/1223109280.db2.gz XBAUTDKPXRMFRV-ZIAGYGMSSA-N 2 0 362.478 0.244 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001158891177 1223111960 /nfs/dbraw/zinc/11/19/60/1223111960.db2.gz VLLREQSGNDRSBR-DQPZFDDXSA-N 2 0 366.506 0.068 20 0 FCADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@@H]21 ZINC001159048515 1223116075 /nfs/dbraw/zinc/11/60/75/1223116075.db2.gz SXNIGBRRZCDNHF-WCXIOVBPSA-N 2 0 368.522 0.387 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103671 1223117470 /nfs/dbraw/zinc/11/74/70/1223117470.db2.gz USGUQAPOJNCUNS-HNNXBMFYSA-N 2 0 359.478 0.359 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159192480 1223120265 /nfs/dbraw/zinc/12/02/65/1223120265.db2.gz SVGRJKCSNZYEKZ-WBVHZDCISA-N 2 0 359.474 0.077 20 0 FCADRP O=C(C1CC[NH2+]CC1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236311 1223121542 /nfs/dbraw/zinc/12/15/42/1223121542.db2.gz NZZUSOJYBRIGOC-UHFFFAOYSA-N 2 0 354.458 0.957 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncccc2C(=O)N2CC[NH2+]CC2)O1 ZINC001159242358 1223121722 /nfs/dbraw/zinc/12/17/22/1223121722.db2.gz DJAAKKVBQMMZDY-RKVPGOIHSA-N 2 0 363.462 0.264 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316382 1223124208 /nfs/dbraw/zinc/12/42/08/1223124208.db2.gz GKMWUJOPDDSOOO-JRBPQWBISA-N 2 0 373.501 0.210 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338272 1223124527 /nfs/dbraw/zinc/12/45/27/1223124527.db2.gz DBGQPOVYZLYTFB-GSFBZFRISA-N 2 0 370.497 0.799 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159330216 1223124676 /nfs/dbraw/zinc/12/46/76/1223124676.db2.gz PTRSWQUUIVTIJL-ZFWWWQNUSA-N 2 0 366.437 0.816 20 0 FCADRP Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159374551 1223125333 /nfs/dbraw/zinc/12/53/33/1223125333.db2.gz HXUDIFQZLPWKAC-KRWDZBQOSA-N 2 0 372.473 0.396 20 0 FCADRP Nc1ncn(-c2ccc3c(c2)C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159407395 1223126131 /nfs/dbraw/zinc/12/61/31/1223126131.db2.gz WNAYGSVLGCWQQU-DOMZBBRYSA-N 2 0 374.876 0.582 20 0 FCADRP CN(Cc1cccnc1)[C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159424258 1223126800 /nfs/dbraw/zinc/12/68/00/1223126800.db2.gz HHYMNTZYLABVPE-LMMKCTJWSA-N 2 0 361.490 0.210 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CNC1CC[NH2+]CC1)C2 ZINC001159470864 1223127840 /nfs/dbraw/zinc/12/78/40/1223127840.db2.gz BZUWZYDERCAKQO-YLJYHZDGSA-N 2 0 364.534 0.535 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@]1(C)CC[NH2+]C1)CCC2 ZINC001159493376 1223128682 /nfs/dbraw/zinc/12/86/82/1223128682.db2.gz MXWDZBZOEXBBPC-LJQANCHMSA-N 2 0 361.490 0.815 20 0 FCADRP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159548410 1223129293 /nfs/dbraw/zinc/12/92/93/1223129293.db2.gz ADBTZUIPKAZSKM-LIRRHRJNSA-N 2 0 358.490 0.209 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549778 1223129993 /nfs/dbraw/zinc/12/99/93/1223129993.db2.gz PUQRBNOGCWOTJG-CWRNSKLLSA-N 2 0 358.490 0.207 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159624924 1223131185 /nfs/dbraw/zinc/13/11/85/1223131185.db2.gz PRROXXNQTGPVHF-ZJIFWQFVSA-N 2 0 368.478 0.016 20 0 FCADRP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159608179 1223131382 /nfs/dbraw/zinc/13/13/82/1223131382.db2.gz GJOAKUFOYFZCJM-JSGCOSHPSA-N 2 0 362.478 0.375 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C4CC[NH2+]CC4)C3)O2)CC1 ZINC001159758326 1223135506 /nfs/dbraw/zinc/13/55/06/1223135506.db2.gz NCWIIDYIPUFGFJ-UYAOXDASSA-N 2 0 364.534 0.774 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160110117 1223146078 /nfs/dbraw/zinc/14/60/78/1223146078.db2.gz KIWFCRLNJCIKNO-DLBZAZTESA-N 2 0 373.501 0.893 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193570 1223148719 /nfs/dbraw/zinc/14/87/19/1223148719.db2.gz OJUCNLSLIRJJJX-AWEZNQCLSA-N 2 0 360.466 0.102 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160229839 1223150811 /nfs/dbraw/zinc/15/08/11/1223150811.db2.gz DEPKVUOSZRWESC-CZUORRHYSA-N 2 0 368.432 0.607 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001160247443 1223152176 /nfs/dbraw/zinc/15/21/76/1223152176.db2.gz BICIITUQPRGOAJ-GOSISDBHSA-N 2 0 364.534 0.935 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001160382825 1223156560 /nfs/dbraw/zinc/15/65/60/1223156560.db2.gz VGSATPRTDWKCIN-HNNXBMFYSA-N 2 0 365.526 0.568 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1CC[NH2+]C[C@H]1F)CCC2 ZINC001160370962 1223156855 /nfs/dbraw/zinc/15/68/55/1223156855.db2.gz DROSXPXUZLFXAS-LSDHHAIUSA-N 2 0 367.469 0.641 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160507445 1223163119 /nfs/dbraw/zinc/16/31/19/1223163119.db2.gz ZSUSBUNAOUZQOO-HOTGVXAUSA-N 2 0 364.490 0.101 20 0 FCADRP COC(=O)c1ccc(CN2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC2)cc1 ZINC001160568903 1223164535 /nfs/dbraw/zinc/16/45/35/1223164535.db2.gz JRWXKQXJPGUPFG-SFHVURJKSA-N 2 0 374.485 0.444 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160629286 1223166393 /nfs/dbraw/zinc/16/63/93/1223166393.db2.gz NCJULEXCOCZVHR-HNNXBMFYSA-N 2 0 360.437 0.807 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)CCO1 ZINC001160643458 1223167539 /nfs/dbraw/zinc/16/75/39/1223167539.db2.gz IJIASOSENAARQK-QFBILLFUSA-N 2 0 372.469 0.955 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160687576 1223168655 /nfs/dbraw/zinc/16/86/55/1223168655.db2.gz GUYXZJFTIQHGRS-HOTGVXAUSA-N 2 0 368.522 0.674 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3([NH3+])Cc4ccccc4C3)C[C@H]1C2 ZINC001160791745 1223172333 /nfs/dbraw/zinc/17/23/33/1223172333.db2.gz AYYUFIVNXSKPGN-YZLZLFLDSA-N 2 0 369.465 0.340 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C[NH3+])Cc3ccccc3)C[C@H]1C2 ZINC001160795030 1223173151 /nfs/dbraw/zinc/17/31/51/1223173151.db2.gz UOFWMWBHZJPLFJ-JUZZZCAGSA-N 2 0 371.481 0.661 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C[C@H]1C2 ZINC001160799693 1223173627 /nfs/dbraw/zinc/17/36/27/1223173627.db2.gz LHUAYAKYUSGNJH-JUIVLLAYSA-N 2 0 371.441 0.463 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805783 1223174784 /nfs/dbraw/zinc/17/47/84/1223174784.db2.gz HBHWNPZMNMDBJD-INIZCTEOSA-N 2 0 360.506 0.261 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1)C1CC[NH2+]CC1 ZINC001160839009 1223176946 /nfs/dbraw/zinc/17/69/46/1223176946.db2.gz MQIVGWMGHPFQRC-KRWDZBQOSA-N 2 0 373.505 0.052 20 0 FCADRP COCCOc1cccc(N2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)c1 ZINC001160943067 1223181016 /nfs/dbraw/zinc/18/10/16/1223181016.db2.gz HFOBRYWXBUSJFJ-SFHVURJKSA-N 2 0 364.490 0.817 20 0 FCADRP O=C([C@@H](c1ccco1)N1CCC[NH2+]CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999553 1223182612 /nfs/dbraw/zinc/18/26/12/1223182612.db2.gz HLCCRMXINNQYFG-DLBZAZTESA-N 2 0 362.474 0.331 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006829 1223182944 /nfs/dbraw/zinc/18/29/44/1223182944.db2.gz FZXPZTYRMPKZJC-FUHWJXTLSA-N 2 0 354.454 0.820 20 0 FCADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)CC2)CC1 ZINC001161046669 1223184535 /nfs/dbraw/zinc/18/45/35/1223184535.db2.gz PCWHMYLJVBGZKV-SFHVURJKSA-N 2 0 364.534 0.677 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1c1ccc(F)cc1 ZINC001161085118 1223184761 /nfs/dbraw/zinc/18/47/61/1223184761.db2.gz NPMRGJXTLIHGKP-OWCLPIDISA-N 2 0 361.417 0.350 20 0 FCADRP CC1(C)N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC[C@@]12c1ccccc1OC2=O ZINC001161160876 1223187904 /nfs/dbraw/zinc/18/79/04/1223187904.db2.gz IKFOEJIIIMXOGJ-VLIAUNLRSA-N 2 0 355.438 0.663 20 0 FCADRP C[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C[C@H](C)[NH2+]1 ZINC001161231795 1223191145 /nfs/dbraw/zinc/19/11/45/1223191145.db2.gz QQQHJWBSHQQYPX-DCGLDWPTSA-N 2 0 357.458 0.363 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246947 1223192327 /nfs/dbraw/zinc/19/23/27/1223192327.db2.gz SXBXAACJULEUMB-MAUKXSAKSA-N 2 0 361.421 0.053 20 0 FCADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271239 1223193494 /nfs/dbraw/zinc/19/34/94/1223193494.db2.gz YQLBKSYYEGIGFG-SJORKVTESA-N 2 0 354.458 0.778 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1=O ZINC001161273699 1223193570 /nfs/dbraw/zinc/19/35/70/1223193570.db2.gz FYNSWARKSGKMPS-IRXDYDNUSA-N 2 0 359.474 0.502 20 0 FCADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271238 1223193641 /nfs/dbraw/zinc/19/36/41/1223193641.db2.gz YQLBKSYYEGIGFG-IRXDYDNUSA-N 2 0 354.458 0.778 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377550 1223197298 /nfs/dbraw/zinc/19/72/98/1223197298.db2.gz HMFAARYGZJHESP-HOTGVXAUSA-N 2 0 368.522 0.850 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388301 1223197947 /nfs/dbraw/zinc/19/79/47/1223197947.db2.gz XYCPGQFFFBWAAZ-INIZCTEOSA-N 2 0 365.453 0.939 20 0 FCADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424494 1223199194 /nfs/dbraw/zinc/19/91/94/1223199194.db2.gz JUUGUCSSJDUTMM-SFHVURJKSA-N 2 0 370.497 0.883 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447751 1223199667 /nfs/dbraw/zinc/19/96/67/1223199667.db2.gz ZBCAMZLLKHNMGN-NEWSRXKRSA-N 3 0 360.502 0.938 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]1C[NH2+]Cc3cccn3C1)CC2 ZINC001161478353 1223200765 /nfs/dbraw/zinc/20/07/65/1223200765.db2.gz LYKVEVUGSLRTAH-QOKNQOGYSA-N 2 0 360.458 0.351 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161493109 1223202689 /nfs/dbraw/zinc/20/26/89/1223202689.db2.gz CMAXDBGHVHNIAC-IPELMVKDSA-N 2 0 372.469 0.954 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161493110 1223202714 /nfs/dbraw/zinc/20/27/14/1223202714.db2.gz CMAXDBGHVHNIAC-KFKAGJAMSA-N 2 0 372.469 0.954 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550457 1223203949 /nfs/dbraw/zinc/20/39/49/1223203949.db2.gz JEVFEOVJDKUEBD-HNNXBMFYSA-N 2 0 357.410 0.723 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550576 1223204083 /nfs/dbraw/zinc/20/40/83/1223204083.db2.gz MMZITNNBBQABCB-INIZCTEOSA-N 2 0 355.442 0.118 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185503 1223211417 /nfs/dbraw/zinc/21/14/17/1223211417.db2.gz RCESWQPCDMLYBQ-OAHLLOKOSA-N 2 0 364.490 0.543 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1cnc(C[NH3+])c1 ZINC001162296868 1223213504 /nfs/dbraw/zinc/21/35/04/1223213504.db2.gz OLWVEWWGWQAYJK-CYBMUJFWSA-N 2 0 361.446 0.832 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ncccc1C(=O)NCCC[NH+](C)C ZINC001162532561 1223218035 /nfs/dbraw/zinc/21/80/35/1223218035.db2.gz FLWSMTJMGCQUMN-UHFFFAOYSA-N 2 0 374.445 0.584 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1nc(C)cc(OC2CC[NH2+]CC2)n1 ZINC001162532521 1223218283 /nfs/dbraw/zinc/21/82/83/1223218283.db2.gz SXCNEAOHCDYUJQ-UHFFFAOYSA-N 2 0 360.418 0.737 20 0 FCADRP [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001163253017 1223228061 /nfs/dbraw/zinc/22/80/61/1223228061.db2.gz JZYLDBGEVPNABA-LKTHJCGVSA-N 2 0 357.458 0.676 20 0 FCADRP C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001164565908 1223239710 /nfs/dbraw/zinc/23/97/10/1223239710.db2.gz GWPAZZIRZKPCQP-NXHRZFHOSA-N 2 0 367.534 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001164582396 1223240266 /nfs/dbraw/zinc/24/02/66/1223240266.db2.gz KOHRRTOVJRWUTD-HZPDHXFCSA-N 2 0 366.506 0.062 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)[nH+]2)CC1 ZINC001165342028 1223244873 /nfs/dbraw/zinc/24/48/73/1223244873.db2.gz SHKSLSUHOMRWHM-LJQANCHMSA-N 3 0 361.490 0.594 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+]CCN3CCCC3=O)CC2)O1 ZINC001165729143 1223255179 /nfs/dbraw/zinc/25/51/79/1223255179.db2.gz ZVFMEVJJQPJNCT-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP Cc1nn(C)cc1C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728974 1223255444 /nfs/dbraw/zinc/25/54/44/1223255444.db2.gz XNRMYOKHMLYJFK-RHSMWYFYSA-N 2 0 363.506 0.824 20 0 FCADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001165727882 1223255571 /nfs/dbraw/zinc/25/55/71/1223255571.db2.gz JSOSVYOHCRFBPP-IIAWOOMASA-N 2 0 366.506 0.249 20 0 FCADRP c1nc(CN(c2ncccn2)c2ncc3c(n2)C[NH2+]C3)c2n1CCC[NH2+]C2 ZINC001166493169 1223279606 /nfs/dbraw/zinc/27/96/06/1223279606.db2.gz VEEHWCACLMMSCW-UHFFFAOYSA-N 2 0 363.429 0.898 20 0 FCADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001166702304 1223284868 /nfs/dbraw/zinc/28/48/68/1223284868.db2.gz LXCRJIXOMDDVBP-AWEZNQCLSA-N 2 0 355.446 0.945 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001205167828 1223314247 /nfs/dbraw/zinc/31/42/47/1223314247.db2.gz WVWJEBVJBUOLRS-BHIYHBOVSA-N 2 0 363.502 0.783 20 0 FCADRP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205204368 1223317212 /nfs/dbraw/zinc/31/72/12/1223317212.db2.gz ZZDDSEPAQRPZPG-RTBURBONSA-N 2 0 363.502 0.785 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1)C(N)=O ZINC001205307226 1223319752 /nfs/dbraw/zinc/31/97/52/1223319752.db2.gz WGZAWGJDJAREFJ-XOKHGSTOSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC(C[NH2+]CCCO)CC2)CC1 ZINC001205321872 1223319926 /nfs/dbraw/zinc/31/99/26/1223319926.db2.gz MZHUEUBOPGPNJC-MOPGFXCFSA-N 2 0 367.534 0.944 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205419414 1223322947 /nfs/dbraw/zinc/32/29/47/1223322947.db2.gz LJPNLLKBRMFRFP-JKSUJKDBSA-N 2 0 364.465 0.925 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432271 1223323237 /nfs/dbraw/zinc/32/32/37/1223323237.db2.gz HIJMRDHJPSHWCU-DLBZAZTESA-N 2 0 364.465 0.750 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432063 1223323459 /nfs/dbraw/zinc/32/34/59/1223323459.db2.gz AIOWGOMQOKOHHR-RRQGHBQHSA-N 2 0 364.465 0.796 20 0 FCADRP Cc1ncc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1C ZINC001206793673 1223370948 /nfs/dbraw/zinc/37/09/48/1223370948.db2.gz XWWLPTWSDBNYMT-UHFFFAOYSA-N 2 0 363.506 0.731 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001207396956 1223443267 /nfs/dbraw/zinc/44/32/67/1223443267.db2.gz AYGCQYBCBGHICE-IBGZPJMESA-N 2 0 361.490 0.726 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001207397123 1223443717 /nfs/dbraw/zinc/44/37/17/1223443717.db2.gz CXMZLMHEVSLUDU-UHFFFAOYSA-N 3 0 366.550 0.831 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001207396426 1223443794 /nfs/dbraw/zinc/44/37/94/1223443794.db2.gz IELZQRGCLRGZIL-SQNIBIBYSA-N 2 0 359.474 0.780 20 0 FCADRP c1cncc(CN2CCOC[C@]3(C[N@H+](CC4CC[NH2+]CC4)CCO3)C2)c1 ZINC001207437107 1223447149 /nfs/dbraw/zinc/44/71/49/1223447149.db2.gz OKTRMMDJJHHJIH-HXUWFJFHSA-N 2 0 360.502 0.984 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207926863 1223497577 /nfs/dbraw/zinc/49/75/77/1223497577.db2.gz GQJXMXDPDFLMBZ-INIZCTEOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441916 1223546434 /nfs/dbraw/zinc/54/64/34/1223546434.db2.gz WDIACSXAKDIKOG-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448277 1223546478 /nfs/dbraw/zinc/54/64/78/1223546478.db2.gz ZVIRYBVXQRWQHQ-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208563211 1223556660 /nfs/dbraw/zinc/55/66/60/1223556660.db2.gz GYUOHBFJYDMKEH-OAGGEKHMSA-N 2 0 366.506 0.692 20 0 FCADRP CNC(=O)[C@]12C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612403 1223563357 /nfs/dbraw/zinc/56/33/57/1223563357.db2.gz HPRWLRUPNXQGOQ-SQGPQFPESA-N 2 0 372.517 0.835 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738571 1223573743 /nfs/dbraw/zinc/57/37/43/1223573743.db2.gz FKIVNFCQWMJLAD-KZNAEPCWSA-N 2 0 371.522 0.587 20 0 FCADRP CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001208754776 1223575493 /nfs/dbraw/zinc/57/54/93/1223575493.db2.gz OFJTWAYMRAXTRM-OQIJWPOYSA-N 2 0 372.513 0.904 20 0 FCADRP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CCN(CCN3CCOCC3)C2=O)CC1 ZINC001276608365 1223591870 /nfs/dbraw/zinc/59/18/70/1223591870.db2.gz CVNQTIIQAAZBLX-FQEVSTJZSA-N 2 0 366.550 0.975 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+](CCC[NH+](C)C)CC2)C1=O ZINC001276611758 1223595844 /nfs/dbraw/zinc/59/58/44/1223595844.db2.gz WMSGDHGYICBNQL-APWZRJJASA-N 2 0 369.506 0.831 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001209347255 1223612306 /nfs/dbraw/zinc/61/23/06/1223612306.db2.gz RYZUEXDENDGFEB-UONOGXRCSA-N 2 0 362.474 0.248 20 0 FCADRP Cc1nccn1CCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001209478462 1223623832 /nfs/dbraw/zinc/62/38/32/1223623832.db2.gz UZMFSBHJULHIHS-RHSMWYFYSA-N 2 0 361.490 0.934 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCN3CCOCC3)C2)C1=O ZINC001209514180 1223626304 /nfs/dbraw/zinc/62/63/04/1223626304.db2.gz IIRTZGLABMNQOW-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP COc1cc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)on1 ZINC001209836755 1223652515 /nfs/dbraw/zinc/65/25/15/1223652515.db2.gz QFMSAXPDWCAJIJ-CZUORRHYSA-N 2 0 366.462 0.731 20 0 FCADRP CCn1nncc1CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836679 1223652560 /nfs/dbraw/zinc/65/25/60/1223652560.db2.gz PHVINVFRTYHRHG-RHSMWYFYSA-N 2 0 364.494 0.345 20 0 FCADRP CCN1CC[C@@H](N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001209837387 1223652867 /nfs/dbraw/zinc/65/28/67/1223652867.db2.gz XNUCLWIFSQUCIR-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315439 1223682418 /nfs/dbraw/zinc/68/24/18/1223682418.db2.gz PHXDKTLHCCKUMO-NZSAHSFTSA-N 2 0 363.502 0.605 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001211045927 1223721551 /nfs/dbraw/zinc/72/15/51/1223721551.db2.gz FENFEDFRPRQCLI-JFIYKMOQSA-N 2 0 363.506 0.367 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094772 1223725742 /nfs/dbraw/zinc/72/57/42/1223725742.db2.gz PZTPXRXJWKPSNA-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191736 1223765123 /nfs/dbraw/zinc/76/51/23/1223765123.db2.gz FMJCRTLYDUVPPX-RVKOJVRFSA-N 2 0 367.490 0.092 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378390 1223792240 /nfs/dbraw/zinc/79/22/40/1223792240.db2.gz OVLZGVYGXCARRK-KZNAEPCWSA-N 2 0 367.465 0.496 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001213555605 1223813128 /nfs/dbraw/zinc/81/31/28/1223813128.db2.gz WLIXXNCADIPZMY-DJIMGWMZSA-N 2 0 367.494 0.035 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638395 1223826046 /nfs/dbraw/zinc/82/60/46/1223826046.db2.gz MLRHPOFBCSGNKE-QZTJIDSGSA-N 2 0 369.506 0.482 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921559 1223872920 /nfs/dbraw/zinc/87/29/20/1223872920.db2.gz DQGRLWBSWCXCLJ-CGTJXYLNSA-N 2 0 365.474 0.185 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cc5n(n4)CCC5)C[C@H]32)CC[N@@H+]1C ZINC000978172653 1248715788 /nfs/dbraw/zinc/71/57/88/1248715788.db2.gz UXNYCISVSKRQDU-PYJZQUQOSA-N 2 0 357.502 0.964 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847628 1223947945 /nfs/dbraw/zinc/94/79/45/1223947945.db2.gz LTJXNNDWDMNQGL-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847939 1223947980 /nfs/dbraw/zinc/94/79/80/1223947980.db2.gz ZLNKQKCEZSQNAM-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889130 1223952064 /nfs/dbraw/zinc/95/20/64/1223952064.db2.gz IDNZCLYKRAVBQI-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1)[NH+](C)C ZINC001214904847 1223954465 /nfs/dbraw/zinc/95/44/65/1223954465.db2.gz MJRVAZCYXUSBOW-CPUCHLNUSA-N 2 0 362.478 0.438 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001215014992 1223964374 /nfs/dbraw/zinc/96/43/74/1223964374.db2.gz AGHFJQONZFBALD-HYVNUMGLSA-N 2 0 359.474 0.575 20 0 FCADRP CCn1nnc(C)c1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978175652 1248716510 /nfs/dbraw/zinc/71/65/10/1248716510.db2.gz FJJRKIAUPQBODY-HHARLNAUSA-N 2 0 360.506 0.741 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215298992 1223991134 /nfs/dbraw/zinc/99/11/34/1223991134.db2.gz QGOQYAPBVRWKEO-IXDOHACOSA-N 2 0 363.506 0.555 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397408 1223996436 /nfs/dbraw/zinc/99/64/36/1223996436.db2.gz YXEHYEHMTUDENC-LTIDMASMSA-N 2 0 367.538 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001215415725 1223998246 /nfs/dbraw/zinc/99/82/46/1223998246.db2.gz JUGAZRZWJAWPOM-DJIMGWMZSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)no1 ZINC001215415724 1223998455 /nfs/dbraw/zinc/99/84/55/1223998455.db2.gz JNIJIXNMOBIJAT-TZMCWYRMSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215415715 1223998628 /nfs/dbraw/zinc/99/86/28/1223998628.db2.gz JAQYUEAONVXSCF-ZIAGYGMSSA-N 2 0 360.462 0.193 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001215421938 1223999014 /nfs/dbraw/zinc/99/90/14/1223999014.db2.gz RICQOXAQLCUMKF-NVXWUHKLSA-N 2 0 361.490 0.476 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](CC)CC ZINC001215516736 1224003543 /nfs/dbraw/zinc/00/35/43/1224003543.db2.gz SUFQVZSKXROFCT-KFWWJZLASA-N 2 0 367.494 0.095 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567944 1224006663 /nfs/dbraw/zinc/00/66/63/1224006663.db2.gz IDNZGDMPNXNFLP-NVXWUHKLSA-N 2 0 370.538 0.554 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778729 1224017364 /nfs/dbraw/zinc/01/73/64/1224017364.db2.gz ZECCEOSROZMFTF-NVXWUHKLSA-N 2 0 367.538 0.862 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001215990092 1224028812 /nfs/dbraw/zinc/02/88/12/1224028812.db2.gz SPMOUBHFRYZMER-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP CCCC[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001216099321 1224034241 /nfs/dbraw/zinc/03/42/41/1224034241.db2.gz NSVNBKMVCXHNNY-DJIMGWMZSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216382918 1224047741 /nfs/dbraw/zinc/04/77/41/1224047741.db2.gz FCERBXWJGYSQGW-QLFBSQMISA-N 2 0 360.462 0.193 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001216401922 1224048537 /nfs/dbraw/zinc/04/85/37/1224048537.db2.gz QOVWXPCOTOGSQY-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)N(C(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(C)C ZINC001216401609 1224048842 /nfs/dbraw/zinc/04/88/42/1224048842.db2.gz OANXCNPIRZWIGI-IAGOWNOFSA-N 2 0 370.538 0.647 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)on1 ZINC001216405383 1224049125 /nfs/dbraw/zinc/04/91/25/1224049125.db2.gz KJVYKRNGJZZROT-TZMCWYRMSA-N 2 0 361.446 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216463601 1224052416 /nfs/dbraw/zinc/05/24/16/1224052416.db2.gz GMDXKBXTDLBOQP-HUUCEWRRSA-N 2 0 362.478 0.584 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216464096 1224052536 /nfs/dbraw/zinc/05/25/36/1224052536.db2.gz KWQVSWNKYKJWAZ-UKRRQHHQSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001216465005 1224052552 /nfs/dbraw/zinc/05/25/52/1224052552.db2.gz WMUJPRLUZGUGBX-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458876 1224052675 /nfs/dbraw/zinc/05/26/75/1224052675.db2.gz GBAYISJAZKWOCA-IXDOHACOSA-N 2 0 370.538 0.696 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463783 1224052752 /nfs/dbraw/zinc/05/27/52/1224052752.db2.gz IQOZRJUTWWBYGC-RBSFLKMASA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001216756238 1224069053 /nfs/dbraw/zinc/06/90/53/1224069053.db2.gz YZLJXBKAWHAUGX-RHSMWYFYSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757624 1224069098 /nfs/dbraw/zinc/06/90/98/1224069098.db2.gz GHZVCNIILANENM-IXDOHACOSA-N 2 0 368.522 0.258 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214277 1249383952 /nfs/dbraw/zinc/38/39/52/1249383952.db2.gz MTILKFPUWMBVFI-PFRQMTDMSA-N 2 0 364.534 0.974 20 0 FCADRP CN1C(=O)c2ccc(NC(=O)CN3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)cc2C1=O ZINC000823806393 1245321671 /nfs/dbraw/zinc/32/16/71/1245321671.db2.gz WOOSKLRRWJVJLQ-QWHCGFSZSA-N 2 0 356.426 0.734 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000827240204 1245323193 /nfs/dbraw/zinc/32/31/93/1245323193.db2.gz IHEQXQPROIWGSR-QGZVFWFLSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1noc2ccccc12 ZINC000848633560 1245376419 /nfs/dbraw/zinc/37/64/19/1245376419.db2.gz RGSKBIAALDVVEE-UHFFFAOYSA-N 2 0 361.446 0.396 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891513163 1245452214 /nfs/dbraw/zinc/45/22/14/1245452214.db2.gz ZPLSRJCAEIYPIM-HOTGVXAUSA-N 2 0 359.478 0.135 20 0 FCADRP CC(C)([NH3+])CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891512129 1245452293 /nfs/dbraw/zinc/45/22/93/1245452293.db2.gz IOXLKCIZTSXWNY-UHFFFAOYSA-N 2 0 363.510 0.805 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911516867 1245503876 /nfs/dbraw/zinc/50/38/76/1245503876.db2.gz NVAPMXGBVLXDEQ-QZTJIDSGSA-N 2 0 365.437 0.471 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911516490 1245504679 /nfs/dbraw/zinc/50/46/79/1245504679.db2.gz KOQNMAWJNQLFFQ-ZTFGCOKTSA-N 2 0 358.486 0.821 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])C2)CC1 ZINC000911518223 1245505603 /nfs/dbraw/zinc/50/56/03/1245505603.db2.gz QHVIZVFVWJNXEI-QXAKKESOSA-N 2 0 370.497 0.918 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280650 1245703589 /nfs/dbraw/zinc/70/35/89/1245703589.db2.gz CDIJOBRVXAKBRO-DOTOQJQBSA-N 2 0 365.449 0.709 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280653 1245703620 /nfs/dbraw/zinc/70/36/20/1245703620.db2.gz CDIJOBRVXAKBRO-NVXWUHKLSA-N 2 0 365.449 0.709 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000923328068 1245708154 /nfs/dbraw/zinc/70/81/54/1245708154.db2.gz JNMAZPHEIUVDRE-XLAORIBOSA-N 2 0 369.506 0.123 20 0 FCADRP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325226 1245708752 /nfs/dbraw/zinc/70/87/52/1245708752.db2.gz BJGIUHFPOOSNEZ-CABCVRRESA-N 2 0 365.478 0.663 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000923328069 1245708939 /nfs/dbraw/zinc/70/89/39/1245708939.db2.gz JNMAZPHEIUVDRE-XSLAGTTESA-N 2 0 369.506 0.123 20 0 FCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000923326808 1245709646 /nfs/dbraw/zinc/70/96/46/1245709646.db2.gz LEVVTWIYDOOTDM-VJANTYMQSA-N 2 0 359.518 0.766 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000942596032 1247154487 /nfs/dbraw/zinc/15/44/87/1247154487.db2.gz PZRZSOYCBFCUIF-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943592395 1247365718 /nfs/dbraw/zinc/36/57/18/1247365718.db2.gz ZWWDEGFZHNWRMH-FVQBIDKESA-N 2 0 363.462 0.026 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396019 1247548062 /nfs/dbraw/zinc/54/80/62/1247548062.db2.gz DZYJPZGQEFAMPJ-ARFHVFGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000944654160 1247600308 /nfs/dbraw/zinc/60/03/08/1247600308.db2.gz NVDIAOQXHVLVKK-HYVNUMGLSA-N 2 0 366.506 0.012 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1)[NH+](C)C ZINC000946430150 1247811949 /nfs/dbraw/zinc/81/19/49/1247811949.db2.gz SNEILTRBRZEXQR-BRWVUGGUSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595159 1247907416 /nfs/dbraw/zinc/90/74/16/1247907416.db2.gz LKRCXWRDJMNFTC-XLMAVXFVSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595350 1247907521 /nfs/dbraw/zinc/90/75/21/1247907521.db2.gz UXWGPBGDFBWDJX-ZJPYXAASSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC000976542154 1248232493 /nfs/dbraw/zinc/23/24/93/1248232493.db2.gz MRZFJQSEERYHLM-LSPIHWNJSA-N 2 0 368.441 0.302 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC000976606306 1248288275 /nfs/dbraw/zinc/28/82/75/1248288275.db2.gz CMSXNDOCRAQFBU-FIDHJVLJSA-N 2 0 360.502 0.386 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]32)CC[N@@H+]1C ZINC000976608741 1248290696 /nfs/dbraw/zinc/29/06/96/1248290696.db2.gz LUPAIKIUESGKDO-MBEHMYBOSA-N 2 0 362.518 0.630 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC[C@@H]4C)C[C@H]32)CC[N@@H+]1C ZINC000976611824 1248293322 /nfs/dbraw/zinc/29/33/22/1248293322.db2.gz UWDKXMMXHZPURI-SQZHQNNWSA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000976793726 1248403981 /nfs/dbraw/zinc/40/39/81/1248403981.db2.gz PALDJBOGOCXQME-DWMDIXPDSA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1C ZINC000976872327 1248438637 /nfs/dbraw/zinc/43/86/37/1248438637.db2.gz CTFGLYXMYOKTSS-PDFKHUOFSA-N 2 0 371.485 0.674 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001328180997 1265498407 /nfs/dbraw/zinc/49/84/07/1265498407.db2.gz DASARPZSVOSODJ-CQSZACIVSA-N 2 0 362.478 0.433 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)cc1 ZINC001516584488 1265557682 /nfs/dbraw/zinc/55/76/82/1265557682.db2.gz VXNZUONXEVDMMX-HNNXBMFYSA-N 2 0 361.446 0.336 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996313761 1251310755 /nfs/dbraw/zinc/31/07/55/1251310755.db2.gz GZKVMJCQFYMBTC-JFIYKMOQSA-N 2 0 371.485 0.725 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335285 1251319925 /nfs/dbraw/zinc/31/99/25/1251319925.db2.gz XBZOSCGKUWMIMW-IKGGRYGDSA-N 2 0 358.486 0.644 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC000996540511 1251375603 /nfs/dbraw/zinc/37/56/03/1251375603.db2.gz ZDVJWVCYBFDRRZ-KPEUIFRASA-N 2 0 371.485 0.961 20 0 FCADRP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC000996543395 1251377354 /nfs/dbraw/zinc/37/73/54/1251377354.db2.gz DGMROEBKZWZCEM-MHORFTMASA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC000998624176 1251929211 /nfs/dbraw/zinc/92/92/11/1251929211.db2.gz HKTDDRGPKKRYAM-NCOADZHNSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998649340 1251941488 /nfs/dbraw/zinc/94/14/88/1251941488.db2.gz KXAPDRLEXXKGEV-QZWWFDLISA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002248781 1252489552 /nfs/dbraw/zinc/48/95/52/1252489552.db2.gz RNJVCVJGPIWBBP-OIISXLGYSA-N 2 0 366.506 0.010 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002501248 1252578114 /nfs/dbraw/zinc/57/81/14/1252578114.db2.gz ZIZBCHBYGYJGSX-BPQIPLTHSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001003132964 1252787936 /nfs/dbraw/zinc/78/79/36/1252787936.db2.gz MBNUIBLEMYSEHN-FGTAOJJYSA-N 2 0 362.518 0.917 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004284970 1253273681 /nfs/dbraw/zinc/27/36/81/1253273681.db2.gz KTURLZZXTPJBGU-WCXIOVBPSA-N 2 0 360.502 0.957 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001004363528 1253299259 /nfs/dbraw/zinc/29/92/59/1253299259.db2.gz XUWDXACJVDQXFA-HPBDAGMYSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001004364437 1253300295 /nfs/dbraw/zinc/30/02/95/1253300295.db2.gz FMEXUIRZPHXCPW-FPCVCCKLSA-N 2 0 359.474 0.932 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC001022149248 1253786010 /nfs/dbraw/zinc/78/60/10/1253786010.db2.gz PCXXOQWCAWNXGA-QILLFSRXSA-N 2 0 367.453 0.959 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001031679155 1253883506 /nfs/dbraw/zinc/88/35/06/1253883506.db2.gz KVYWRWDOARIUCT-IPELMVKDSA-N 2 0 365.518 0.818 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061621784 1254194754 /nfs/dbraw/zinc/19/47/54/1254194754.db2.gz FGGWXMKDSILQPG-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC001329746032 1265828746 /nfs/dbraw/zinc/82/87/46/1265828746.db2.gz MQYUXOWHTQIROF-INIZCTEOSA-N 2 0 361.490 0.707 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC2)CC[N@@H+]1C ZINC001063221673 1254317050 /nfs/dbraw/zinc/31/70/50/1254317050.db2.gz GIRBGGXLRKIEDV-MDZRGWNJSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC001520192338 1265872130 /nfs/dbraw/zinc/87/21/30/1265872130.db2.gz QKNBIKKKLWTCNJ-SJLPKXTDSA-N 2 0 351.539 0.996 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685207 1254879721 /nfs/dbraw/zinc/87/97/21/1254879721.db2.gz DSCZBGQZNCHZAN-FGTMMUONSA-N 2 0 367.534 0.821 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077979006 1255142270 /nfs/dbraw/zinc/14/22/70/1255142270.db2.gz WNCNXVHGDFHQFR-RTBURBONSA-N 2 0 365.518 0.839 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001079130124 1255446204 /nfs/dbraw/zinc/44/62/04/1255446204.db2.gz YPBOWZVGNNRTOH-GUDVDZBRSA-N 2 0 361.486 0.537 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270502 1255495907 /nfs/dbraw/zinc/49/59/07/1255495907.db2.gz VTQVUFVAYJTRBZ-OKZBNKHCSA-N 2 0 365.518 0.650 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC001330342436 1265995455 /nfs/dbraw/zinc/99/54/55/1265995455.db2.gz JDZWCEFQEIIFDH-UHFFFAOYSA-N 2 0 362.522 0.544 20 0 FCADRP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080936076 1256102641 /nfs/dbraw/zinc/10/26/41/1256102641.db2.gz HKWPFWLPZMJARP-QLFBSQMISA-N 2 0 363.510 0.359 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CO)(NC(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001080988854 1256128754 /nfs/dbraw/zinc/12/87/54/1256128754.db2.gz GJURQKFCFQPJEB-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999007 1256133410 /nfs/dbraw/zinc/13/34/10/1256133410.db2.gz XVDZUBLWECOWMU-OAGGEKHMSA-N 2 0 364.490 0.446 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097815 1256176693 /nfs/dbraw/zinc/17/66/93/1256176693.db2.gz GXFGORKPBZAQGV-OTWHNJEPSA-N 2 0 368.485 0.994 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081173947 1256200253 /nfs/dbraw/zinc/20/02/53/1256200253.db2.gz WRHBGSGEESRNSN-FHLIZLRMSA-N 2 0 358.486 0.786 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)cn1 ZINC001081195620 1256203326 /nfs/dbraw/zinc/20/33/26/1256203326.db2.gz KODHDPZNIJILQW-RBUKOAKNSA-N 2 0 371.485 0.635 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686173 1256334635 /nfs/dbraw/zinc/33/46/35/1256334635.db2.gz JDFHZCZDQZGBBR-NANBGGJNSA-N 2 0 363.506 0.920 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959795 1256474631 /nfs/dbraw/zinc/47/46/31/1256474631.db2.gz YIGUUPMODNKLEO-ARCLZCIDSA-N 2 0 371.481 0.865 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082520244 1256802420 /nfs/dbraw/zinc/80/24/20/1256802420.db2.gz KGBHJDNPQYDLLG-RRCSTGOVSA-N 2 0 372.473 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082588710 1256902197 /nfs/dbraw/zinc/90/21/97/1256902197.db2.gz LCACUIVHIUOTOJ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082592216 1256905086 /nfs/dbraw/zinc/90/50/86/1256905086.db2.gz TUORZOYZXDEUAE-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082592215 1256905851 /nfs/dbraw/zinc/90/58/51/1256905851.db2.gz TUORZOYZXDEUAE-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653609 1256957062 /nfs/dbraw/zinc/95/70/62/1256957062.db2.gz TVCAFZSWAGBTRH-MESWHDRRSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082662818 1256965138 /nfs/dbraw/zinc/96/51/38/1256965138.db2.gz CFLQNGSXZLLCMS-ZTFGCOKTSA-N 2 0 358.486 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082745874 1257026311 /nfs/dbraw/zinc/02/63/11/1257026311.db2.gz VQXCLCPFTQHZAQ-FHLIZLRMSA-N 2 0 358.486 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001082798401 1257058077 /nfs/dbraw/zinc/05/80/77/1257058077.db2.gz RSWTZUNBLBMWGC-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)nn1C ZINC001082828170 1257086660 /nfs/dbraw/zinc/08/66/60/1257086660.db2.gz WIFFXRFLZIHIQQ-RDTXWAMCSA-N 2 0 363.506 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082863549 1257113845 /nfs/dbraw/zinc/11/38/45/1257113845.db2.gz IMJUDPKFTXRDTD-HYVNUMGLSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082864449 1257114486 /nfs/dbraw/zinc/11/44/86/1257114486.db2.gz MDQVUMDILXXTJJ-UKRRQHHQSA-N 2 0 360.462 0.223 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082864800 1257114504 /nfs/dbraw/zinc/11/45/04/1257114504.db2.gz KRSLCJKYGMBGHY-IJEWVQPXSA-N 2 0 369.473 0.977 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001082923360 1257146361 /nfs/dbraw/zinc/14/63/61/1257146361.db2.gz GFHLFGGFDOSZFQ-JFIYKMOQSA-N 2 0 363.506 0.367 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+]1CCCC1 ZINC001082943832 1257160622 /nfs/dbraw/zinc/16/06/22/1257160622.db2.gz IFKZCGWDFUOKJO-FMKPAKJESA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001521266397 1266107306 /nfs/dbraw/zinc/10/73/06/1266107306.db2.gz NGHCLFHTDBFUNT-OIISXLGYSA-N 2 0 358.490 0.549 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H]1CCCN1Cc1ccccn1 ZINC001330890856 1266112669 /nfs/dbraw/zinc/11/26/69/1266112669.db2.gz PZYYMWHSIMVXDV-QGZVFWFLSA-N 2 0 367.457 0.884 20 0 FCADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654190 1257465730 /nfs/dbraw/zinc/46/57/30/1257465730.db2.gz AVANFNWAYHQMCJ-DXWXDBEXSA-N 2 0 371.481 0.520 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083749939 1257488676 /nfs/dbraw/zinc/48/86/76/1257488676.db2.gz XWCKYUMONZMWPT-OTWHNJEPSA-N 2 0 361.486 0.093 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968632 1266123778 /nfs/dbraw/zinc/12/37/78/1266123778.db2.gz FGERTMLGZONDLT-MJGOQNOKSA-N 2 0 366.550 0.925 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851178 1257608837 /nfs/dbraw/zinc/60/88/37/1257608837.db2.gz QVZKDGUIHFILSF-MOPGFXCFSA-N 2 0 371.485 0.728 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083864165 1257626822 /nfs/dbraw/zinc/62/68/22/1257626822.db2.gz AOEKSHRYTNDPLH-UHOSZYNNSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)cc1 ZINC001083864473 1257626965 /nfs/dbraw/zinc/62/69/65/1257626965.db2.gz QCSVPEJMPSOWCR-MOPGFXCFSA-N 2 0 361.486 0.950 20 0 FCADRP CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001331030607 1266132465 /nfs/dbraw/zinc/13/24/65/1266132465.db2.gz MKMPZOAHVULJSO-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937369 1257723076 /nfs/dbraw/zinc/72/30/76/1257723076.db2.gz ZUCQXUMHVHNQFX-QRQLOZEOSA-N 2 0 365.518 0.696 20 0 FCADRP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001083954926 1257744978 /nfs/dbraw/zinc/74/49/78/1257744978.db2.gz ONYZHIAJAQONOS-UHOSZYNNSA-N 2 0 361.486 0.877 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1 ZINC001083958364 1257748146 /nfs/dbraw/zinc/74/81/46/1257748146.db2.gz BPUDYBPYCSNFEF-MSOLQXFVSA-N 2 0 358.486 0.510 20 0 FCADRP COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053835 1257865898 /nfs/dbraw/zinc/86/58/98/1257865898.db2.gz MSUMOPRGSOHFOF-UHOSZYNNSA-N 2 0 361.486 0.741 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC001331098114 1266145804 /nfs/dbraw/zinc/14/58/04/1266145804.db2.gz PFRMKTPVFJYVLS-NXOAAHMSSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001331113410 1266149465 /nfs/dbraw/zinc/14/94/65/1266149465.db2.gz SPLGGDHZGGRHCA-OKZBNKHCSA-N 2 0 358.486 0.806 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001331113411 1266149729 /nfs/dbraw/zinc/14/97/29/1266149729.db2.gz SPLGGDHZGGRHCA-RCCFBDPRSA-N 2 0 358.486 0.806 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001521617773 1266150397 /nfs/dbraw/zinc/15/03/97/1266150397.db2.gz NPLJUYTVKGSVQL-SJLPKXTDSA-N 2 0 367.538 0.565 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC001331133412 1266155058 /nfs/dbraw/zinc/15/50/58/1266155058.db2.gz VOMZUDBNLLEQAQ-KRWDZBQOSA-N 2 0 358.486 0.808 20 0 FCADRP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347224 1258040667 /nfs/dbraw/zinc/04/06/67/1258040667.db2.gz KMRHITPACAQNNW-NZSAHSFTSA-N 2 0 357.502 0.837 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084403321 1258082472 /nfs/dbraw/zinc/08/24/72/1258082472.db2.gz PMMWOXPQHXKTIF-FGTMMUONSA-N 2 0 360.506 0.789 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663277 1258225161 /nfs/dbraw/zinc/22/51/61/1258225161.db2.gz VHLZJAHGBPBZKV-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001331219545 1266174613 /nfs/dbraw/zinc/17/46/13/1266174613.db2.gz JGINEAOLFSDVFP-FGTMMUONSA-N 2 0 358.486 0.963 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001084829900 1258374492 /nfs/dbraw/zinc/37/44/92/1258374492.db2.gz CVKHAVMIVXGZOY-JTDSTZFVSA-N 2 0 368.485 0.953 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084941488 1258454898 /nfs/dbraw/zinc/45/48/98/1258454898.db2.gz LMIZWTRFXYXGSV-KURKYZTESA-N 2 0 358.490 0.543 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCCC(C)(C)[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001331290712 1266185295 /nfs/dbraw/zinc/18/52/95/1266185295.db2.gz WELLECNNIJHDBF-UHFFFAOYSA-N 2 0 361.490 0.929 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032728 1258533738 /nfs/dbraw/zinc/53/37/38/1258533738.db2.gz WUDABGAPOZOLQV-NUJGCVRESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088154405 1258664800 /nfs/dbraw/zinc/66/48/00/1258664800.db2.gz LKHQBHQPRWBIEG-KSZLIROESA-N 2 0 365.518 0.914 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088157802 1258670803 /nfs/dbraw/zinc/67/08/03/1258670803.db2.gz ILSXPZFLDPCDKR-FGTMMUONSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172646 1258692102 /nfs/dbraw/zinc/69/21/02/1258692102.db2.gz XKBKKKFDPRITDE-XHSDSOJGSA-N 2 0 360.502 0.530 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199176 1258719047 /nfs/dbraw/zinc/71/90/47/1258719047.db2.gz DTNXHMKJGJKJIY-KURKYZTESA-N 2 0 358.486 0.617 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001100343399 1258908352 /nfs/dbraw/zinc/90/83/52/1258908352.db2.gz DYCCGTBNBDMCPK-PRLABOORSA-N 2 0 367.538 0.909 20 0 FCADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100344492 1258908903 /nfs/dbraw/zinc/90/89/03/1258908903.db2.gz AINBCHBFSPQZHM-SJJHQCBESA-N 2 0 368.522 0.354 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104363054 1258916000 /nfs/dbraw/zinc/91/60/00/1258916000.db2.gz XBSXUXIVFGHLET-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660851 1258923028 /nfs/dbraw/zinc/92/30/28/1258923028.db2.gz ZKTOKQOHQUVTLW-SOAMZJECSA-N 2 0 367.534 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105660852 1258923060 /nfs/dbraw/zinc/92/30/60/1258923060.db2.gz ZKTOKQOHQUVTLW-XSYGEPLQSA-N 2 0 367.534 0.941 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106593946 1258927481 /nfs/dbraw/zinc/92/74/81/1258927481.db2.gz LVQXTGKQHASNNO-BRWVUGGUSA-N 2 0 371.522 0.036 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621374 1258929143 /nfs/dbraw/zinc/92/91/43/1258929143.db2.gz IFWLCTLSOWDNFH-KBAYOESNSA-N 2 0 371.522 0.036 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860180 1258980807 /nfs/dbraw/zinc/98/08/07/1258980807.db2.gz MUGGFIZPTURCID-ATZDWAIDSA-N 2 0 367.534 0.800 20 0 FCADRP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106878276 1258986169 /nfs/dbraw/zinc/98/61/69/1258986169.db2.gz KFCPWJFHZNKXMG-HUUCEWRRSA-N 2 0 367.494 0.955 20 0 FCADRP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878549 1258986352 /nfs/dbraw/zinc/98/63/52/1258986352.db2.gz QWNONBUHCNJQBW-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1C ZINC001106878265 1258986454 /nfs/dbraw/zinc/98/64/54/1258986454.db2.gz JSQNVEIPCLNVTM-HUUCEWRRSA-N 2 0 366.510 0.140 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C)C(=O)N(C)C ZINC001106884698 1258987268 /nfs/dbraw/zinc/98/72/68/1258987268.db2.gz KHWXJANOZYDBBT-QLFBSQMISA-N 2 0 361.490 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106882097 1258987321 /nfs/dbraw/zinc/98/73/21/1258987321.db2.gz PJTKXSHINUUOQE-KURKYZTESA-N 2 0 371.522 0.444 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106885052 1258987470 /nfs/dbraw/zinc/98/74/70/1258987470.db2.gz QXCCFSCTXJLWFA-ZIAGYGMSSA-N 2 0 359.474 0.724 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881314 1258987503 /nfs/dbraw/zinc/98/75/03/1258987503.db2.gz BRODWNIXMOMMJM-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885215 1258988919 /nfs/dbraw/zinc/98/89/19/1258988919.db2.gz XOSNPLQWYFOCOE-KURKYZTESA-N 2 0 367.534 0.800 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001107039189 1259022520 /nfs/dbraw/zinc/02/25/20/1259022520.db2.gz MOCLTOJFSDLOJD-HZPDHXFCSA-N 2 0 368.522 0.306 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001107039198 1259022818 /nfs/dbraw/zinc/02/28/18/1259022818.db2.gz MUWYUPQLNXFWHV-HUUCEWRRSA-N 2 0 365.526 0.952 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039458 1259022937 /nfs/dbraw/zinc/02/29/37/1259022937.db2.gz SGWZQULMFJMZMU-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC001331517980 1266234078 /nfs/dbraw/zinc/23/40/78/1266234078.db2.gz SZVRUOFJIAFYEF-UHFFFAOYSA-N 2 0 358.486 0.898 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)CC1 ZINC001107520759 1259108054 /nfs/dbraw/zinc/10/80/54/1259108054.db2.gz DSRFNSHBZLCQFA-VQIMIIECSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC1 ZINC001112540178 1259164507 /nfs/dbraw/zinc/16/45/07/1259164507.db2.gz JMBYVABYQOAPTR-ICSRJNTNSA-N 2 0 367.534 0.946 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001127570730 1259180292 /nfs/dbraw/zinc/18/02/92/1259180292.db2.gz DOWVOOSDIAKTPL-WBVHZDCISA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653232 1259184429 /nfs/dbraw/zinc/18/44/29/1259184429.db2.gz OLJNXENHEZLHTG-RBSFLKMASA-N 2 0 364.494 0.837 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](Oc3cnccc3C[NH2+]CCO)C2)CC[N@@H+]1C ZINC001127888480 1259188465 /nfs/dbraw/zinc/18/84/65/1259188465.db2.gz QWAMEOWONOMFKG-HYVNUMGLSA-N 2 0 362.474 0.483 20 0 FCADRP C[C@H](O)CCCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC001128350869 1259196214 /nfs/dbraw/zinc/19/62/14/1259196214.db2.gz KTGDLSNUSYKGGQ-ZMSDIMECSA-N 2 0 363.506 0.816 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052394 1259298803 /nfs/dbraw/zinc/29/88/03/1259298803.db2.gz DITPVSFQZNRZLP-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071669 1259305119 /nfs/dbraw/zinc/30/51/19/1259305119.db2.gz INULWORRLPADEU-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263045 1259359396 /nfs/dbraw/zinc/35/93/96/1259359396.db2.gz ZEYZPABVWUCFFR-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001200547482 1259416124 /nfs/dbraw/zinc/41/61/24/1259416124.db2.gz NQHGNOHFNIYVKD-HYVNUMGLSA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001200651823 1259418795 /nfs/dbraw/zinc/41/87/95/1259418795.db2.gz NTEKJFGMLAHYCX-OKZBNKHCSA-N 2 0 371.522 0.321 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCOCCNC(C)=O)CC2)CC[N@@H+]1C ZINC001200651991 1259419093 /nfs/dbraw/zinc/41/90/93/1259419093.db2.gz VHZIXMWVIFOISO-ZWKOTPCHSA-N 2 0 368.522 0.450 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cnc12 ZINC001234969940 1259565769 /nfs/dbraw/zinc/56/57/69/1259565769.db2.gz DSUWWCFJXJRLAW-SJLPKXTDSA-N 2 0 356.474 0.617 20 0 FCADRP O=C(C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)nc2)CC1)N1CC[NH2+]CC1 ZINC001235299912 1259568565 /nfs/dbraw/zinc/56/85/65/1259568565.db2.gz YZPASICQAMBAPU-UHFFFAOYSA-N 3 0 372.517 0.135 20 0 FCADRP c1cc(CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199940 1259568888 /nfs/dbraw/zinc/56/88/88/1259568888.db2.gz JWJPOHMXTHGAKA-FQEVSTJZSA-N 2 0 360.502 0.677 20 0 FCADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235455783 1259572523 /nfs/dbraw/zinc/57/25/23/1259572523.db2.gz YQJGXXXDRTUOKA-IBGZPJMESA-N 2 0 374.489 0.595 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235521540 1259574422 /nfs/dbraw/zinc/57/44/22/1259574422.db2.gz NSSHBKRSVHMLCP-MRXNPFEDSA-N 2 0 371.485 0.894 20 0 FCADRP COC(=O)c1cccc2[nH]cc(CN3CC[NH2+]CCNCC[NH2+]CC3)c21 ZINC001235872111 1259584306 /nfs/dbraw/zinc/58/43/06/1259584306.db2.gz XYIANSDHTPJIMY-UHFFFAOYSA-N 2 0 359.474 0.539 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-c2cncnc2)cc1 ZINC001236311850 1259588355 /nfs/dbraw/zinc/58/83/55/1259588355.db2.gz WMYCJPHEIKGGGR-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)nc1)CC2 ZINC001237062010 1259595830 /nfs/dbraw/zinc/59/58/30/1259595830.db2.gz KLTDPACZSCHOEW-LPHOPBHVSA-N 2 0 359.474 0.218 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH3+])(c4ccccc4)CC3)C[C@@H]21 ZINC001335303743 1259597598 /nfs/dbraw/zinc/59/75/98/1259597598.db2.gz ZYCWGQNICCRMJS-AEFFLSMTSA-N 2 0 370.497 0.668 20 0 FCADRP COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cnc3n2CC[NH2+]CC3)c1 ZINC001237442313 1259597679 /nfs/dbraw/zinc/59/76/79/1259597679.db2.gz FOAPBNZXMRWEDM-GOSISDBHSA-N 2 0 369.469 0.962 20 0 FCADRP COc1cc(N2CC[NH2+]CC2)ccc1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001244284180 1259639088 /nfs/dbraw/zinc/63/90/88/1259639088.db2.gz KQMBZSHIIRMQMT-UHFFFAOYSA-N 2 0 354.458 0.971 20 0 FCADRP O[C@@]1(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981010 1259642431 /nfs/dbraw/zinc/64/24/31/1259642431.db2.gz PKFZBNLENLLTBG-CTNGQTDRSA-N 3 0 358.530 0.802 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC12C[NH2+]C2 ZINC001246060169 1259645101 /nfs/dbraw/zinc/64/51/01/1259645101.db2.gz NDNWKAJTQGWMQV-FGTMMUONSA-N 2 0 361.486 0.392 20 0 FCADRP c1ccc(-c2nnn3c2CO[C@H](C[NH2+][C@@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246157575 1259650375 /nfs/dbraw/zinc/65/03/75/1259650375.db2.gz PVIPNAXGGMZCGL-HZPDHXFCSA-N 2 0 354.458 0.528 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)CN1 ZINC001246199915 1259650427 /nfs/dbraw/zinc/65/04/27/1259650427.db2.gz YXHBHEBSJCKIMH-OALUTQOASA-N 2 0 360.502 0.817 20 0 FCADRP COC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246328355 1259651986 /nfs/dbraw/zinc/65/19/86/1259651986.db2.gz LHPIBVOCJKAZII-SFHVURJKSA-N 2 0 372.513 0.878 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246638712 1259657232 /nfs/dbraw/zinc/65/72/32/1259657232.db2.gz CIMISWKZJOCLDO-GOSISDBHSA-N 2 0 367.490 0.679 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246665089 1259658713 /nfs/dbraw/zinc/65/87/13/1259658713.db2.gz AOGDVXPKGNGAQY-TVRAHDOYSA-N 2 0 365.474 0.001 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680343 1259660090 /nfs/dbraw/zinc/66/00/90/1259660090.db2.gz VVDCILSAQCHQHO-LQDAGBJNSA-N 2 0 365.474 0.001 20 0 FCADRP Fc1cnc(N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C2CC[NH2+]CC2)nc1 ZINC001246688744 1259660418 /nfs/dbraw/zinc/66/04/18/1259660418.db2.gz NZLXQYWOVBRKBL-KSSFIOAISA-N 2 0 365.453 0.569 20 0 FCADRP O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246700163 1259663023 /nfs/dbraw/zinc/66/30/23/1259663023.db2.gz BVSZPLLYMHAJKL-BZZMCLGOSA-N 2 0 371.485 0.594 20 0 FCADRP O=C1[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001246704536 1259664190 /nfs/dbraw/zinc/66/41/90/1259664190.db2.gz HMXHVMGDMDEYNC-KBAYOESNSA-N 2 0 358.461 0.810 20 0 FCADRP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246733384 1259672682 /nfs/dbraw/zinc/67/26/82/1259672682.db2.gz FMTABAGZAQFTHO-DLBZAZTESA-N 2 0 357.502 0.893 20 0 FCADRP O=C1CO[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2N1c1cccc(F)c1 ZINC001246746899 1259677039 /nfs/dbraw/zinc/67/70/39/1259677039.db2.gz PORTWPWWESCOTH-BRWVUGGUSA-N 2 0 360.433 0.336 20 0 FCADRP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744823 1259678435 /nfs/dbraw/zinc/67/84/35/1259678435.db2.gz LTVVCOONFRCBAF-MIALQEHNSA-N 2 0 372.517 0.976 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246751227 1259679785 /nfs/dbraw/zinc/67/97/85/1259679785.db2.gz OGKPPUDCBYETGI-JWTNVVGKSA-N 2 0 364.534 0.772 20 0 FCADRP Cn1ccc(CN2CCCC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754325 1259681309 /nfs/dbraw/zinc/68/13/09/1259681309.db2.gz QFQWGVXGKMEITB-SFHVURJKSA-N 2 0 358.534 0.945 20 0 FCADRP c1nc(C[NH2+]C2CCOCC2)c2n1CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246773493 1259688889 /nfs/dbraw/zinc/68/88/89/1259688889.db2.gz KYAHAXJGEHNUGL-QGZVFWFLSA-N 2 0 374.533 0.451 20 0 FCADRP c1nc(CN(c2ncccn2)[C@H]2CCNC3(C[NH2+]C3)C2)c2n1CCC[NH2+]C2 ZINC001246772718 1259689213 /nfs/dbraw/zinc/68/92/13/1259689213.db2.gz GGKSUGDNQKFAGE-HNNXBMFYSA-N 2 0 368.489 0.267 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856589 1259692798 /nfs/dbraw/zinc/69/27/98/1259692798.db2.gz FGAGNSZCPLKIJY-LQDAGBJNSA-N 2 0 365.474 0.001 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856594 1259692856 /nfs/dbraw/zinc/69/28/56/1259692856.db2.gz FGAGNSZCPLKIJY-XJCMGKNESA-N 2 0 365.474 0.001 20 0 FCADRP COC(=O)c1ccc(C[C@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246925798 1259695585 /nfs/dbraw/zinc/69/55/85/1259695585.db2.gz POHNZNFDDHEWTK-HNNXBMFYSA-N 2 0 364.490 0.520 20 0 FCADRP C[NH2+]CC[C@H](C)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246910774 1259695619 /nfs/dbraw/zinc/69/56/19/1259695619.db2.gz LNUORJHQZIFPIX-JYJNAYRXSA-N 2 0 373.492 0.200 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246945475 1259697120 /nfs/dbraw/zinc/69/71/20/1259697120.db2.gz YTTFHKVHTPXKRS-IBGZPJMESA-N 3 0 366.550 0.531 20 0 FCADRP COc1nc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)ccc1-n1cnc(C)c1 ZINC001247852397 1259706909 /nfs/dbraw/zinc/70/69/09/1259706909.db2.gz SFUZDZRRRRMQJU-UHFFFAOYSA-N 2 0 367.413 0.695 20 0 FCADRP CON(C)C(=O)c1cccc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)c1 ZINC001247855644 1259707040 /nfs/dbraw/zinc/70/70/40/1259707040.db2.gz SBUVEFOTVASDQE-RDTXWAMCSA-N 2 0 357.414 0.821 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4COC5(C[NH2+]C5)CN4)n3)cc2)CC1 ZINC001247854900 1259707406 /nfs/dbraw/zinc/70/74/06/1259707406.db2.gz SBHSTOIZPNPISV-INIZCTEOSA-N 2 0 370.457 0.491 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC001251987541 1259772108 /nfs/dbraw/zinc/77/21/08/1259772108.db2.gz OWVOMVDYEWBDDE-IBGZPJMESA-N 2 0 374.529 0.890 20 0 FCADRP O=C1COCCN1C1CC[NH+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC001252933773 1259812910 /nfs/dbraw/zinc/81/29/10/1259812910.db2.gz MZBKHNKGALNNRD-NRFANRHFSA-N 2 0 373.497 0.947 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253185585 1259826936 /nfs/dbraw/zinc/82/69/36/1259826936.db2.gz HUHLFWZANKMXBF-KRWDZBQOSA-N 2 0 367.538 0.870 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001253184594 1259827983 /nfs/dbraw/zinc/82/79/83/1259827983.db2.gz GVWYBPNFMKXQPC-SFHVURJKSA-N 2 0 364.538 0.149 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388834 1259837617 /nfs/dbraw/zinc/83/76/17/1259837617.db2.gz OIIKNUNKNQOVIQ-QGZVFWFLSA-N 2 0 364.534 0.560 20 0 FCADRP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335791163 1259840324 /nfs/dbraw/zinc/84/03/24/1259840324.db2.gz SGFUYHUVUNSKPG-DZGCQCFKSA-N 2 0 362.478 0.173 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254858802 1259897771 /nfs/dbraw/zinc/89/77/71/1259897771.db2.gz ZPVHUQQQZRHZFG-OAHLLOKOSA-N 2 0 361.490 0.808 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254858801 1259897799 /nfs/dbraw/zinc/89/77/99/1259897799.db2.gz ZPVHUQQQZRHZFG-HNNXBMFYSA-N 2 0 361.490 0.808 20 0 FCADRP O=C(Cc1[nH]ccc1C(=O)NCC[NH+]1CC=CC1)NCC[NH+]1CC=CC1 ZINC001335991829 1259935261 /nfs/dbraw/zinc/93/52/61/1259935261.db2.gz XHWIQHQETSNGOH-UHFFFAOYSA-N 2 0 357.458 0.147 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001336035037 1259953395 /nfs/dbraw/zinc/95/33/95/1259953395.db2.gz MNUOBZPXQHEPLB-PKOBYXMFSA-N 2 0 365.522 0.321 20 0 FCADRP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858231 1259975679 /nfs/dbraw/zinc/97/56/79/1259975679.db2.gz CUWKOTZGSYCDEW-IBGZPJMESA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)C1 ZINC001336119178 1259994751 /nfs/dbraw/zinc/99/47/51/1259994751.db2.gz PKNWHQXWAOPNBM-QGZVFWFLSA-N 2 0 372.513 0.916 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001257150187 1259998937 /nfs/dbraw/zinc/99/89/37/1259998937.db2.gz JQBSKWNLGDTLSO-DOTOQJQBSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192814 1260034911 /nfs/dbraw/zinc/03/49/11/1260034911.db2.gz IVZQCYVPEPFXSM-RBSFLKMASA-N 2 0 352.479 0.653 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC001261452307 1260141084 /nfs/dbraw/zinc/14/10/84/1260141084.db2.gz ZJFOFMVLMGRNIE-SFHVURJKSA-N 2 0 358.486 0.898 20 0 FCADRP COc1ccccc1COC[C@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001336749643 1260214274 /nfs/dbraw/zinc/21/42/74/1260214274.db2.gz FVICAUCCLLIIRT-FUHWJXTLSA-N 2 0 351.491 0.798 20 0 FCADRP O=C1NCCC12CC[NH+](C/C=C/C[NH+]1CCC3(CCNC3=O)CC1)CC2 ZINC001262020955 1260246220 /nfs/dbraw/zinc/24/62/20/1260246220.db2.gz QHBJKTZFGQEBSK-OWOJBTEDSA-N 2 0 360.502 0.747 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262046427 1260250991 /nfs/dbraw/zinc/25/09/91/1260250991.db2.gz QIQMFLBUPHMTFK-QYZOEREBSA-N 2 0 366.550 0.925 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+]1CCCC1 ZINC001262060377 1260253241 /nfs/dbraw/zinc/25/32/41/1260253241.db2.gz YXHUYHOYYHJOFF-VYDXJSESSA-N 2 0 374.485 0.896 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC001336922498 1260254120 /nfs/dbraw/zinc/25/41/20/1260254120.db2.gz NMPOZDNUJIMDPK-KRWDZBQOSA-N 2 0 373.501 0.976 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC001262063963 1260254153 /nfs/dbraw/zinc/25/41/53/1260254153.db2.gz NQZFHSKTISUGRX-NXOAAHMSSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024553 1260288620 /nfs/dbraw/zinc/28/86/20/1260288620.db2.gz UFRLTRMTSLRWTC-QWHCGFSZSA-N 2 0 351.417 0.606 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001337048085 1260295029 /nfs/dbraw/zinc/29/50/29/1260295029.db2.gz PMNYMONJFMWLLA-GOSISDBHSA-N 2 0 373.501 0.976 20 0 FCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337078529 1260302908 /nfs/dbraw/zinc/30/29/08/1260302908.db2.gz YWYYEXFABWRZJS-IRXDYDNUSA-N 2 0 354.539 0.923 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001264005096 1260362313 /nfs/dbraw/zinc/36/23/13/1260362313.db2.gz NJTCQEJSUDAWLT-CABCVRRESA-N 2 0 369.510 0.391 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1)CC(C)(C)C ZINC001264652004 1260391994 /nfs/dbraw/zinc/39/19/94/1260391994.db2.gz PYSORBFCFCSLKK-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)o1 ZINC001337409236 1260392445 /nfs/dbraw/zinc/39/24/45/1260392445.db2.gz KFIGRZJAAWPVKT-HOTGVXAUSA-N 2 0 372.469 0.928 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332076154 1266331148 /nfs/dbraw/zinc/33/11/48/1266331148.db2.gz BQBVBFCSODXJJF-RBUKOAKNSA-N 2 0 360.502 0.469 20 0 FCADRP C[NH+](C)[C@H]1CC[C@H]2C[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@@H]2C1 ZINC001337805833 1260488229 /nfs/dbraw/zinc/48/82/29/1260488229.db2.gz OKDKZLCVNANEKF-JYJNAYRXSA-N 3 0 363.506 0.622 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C3)CC1 ZINC001273136551 1260600043 /nfs/dbraw/zinc/60/00/43/1260600043.db2.gz DJPQXRXLENYTOB-SJORKVTESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCCC3)C[C@H]21 ZINC001273141772 1260607116 /nfs/dbraw/zinc/60/71/16/1260607116.db2.gz SWVKENURBNLUGQ-QRVBRYPASA-N 2 0 364.534 0.867 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249415 1260635139 /nfs/dbraw/zinc/63/51/39/1260635139.db2.gz VFGYFXKDMHISET-FGTMMUONSA-N 2 0 364.534 0.977 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)C[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273253921 1260636012 /nfs/dbraw/zinc/63/60/12/1260636012.db2.gz HEBQJIIIWJHXDI-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001273272743 1260645601 /nfs/dbraw/zinc/64/56/01/1260645601.db2.gz MQPBDWAHRSXRFO-TWOQFEAHSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273312070 1260655697 /nfs/dbraw/zinc/65/56/97/1260655697.db2.gz BUUWZGMANXLQBH-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP CCCCOC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778679 1260669694 /nfs/dbraw/zinc/66/96/94/1260669694.db2.gz RBOXWCGMTCLLIY-HKUYNNGSSA-N 2 0 371.522 0.277 20 0 FCADRP CCn1ccnc1C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCOC)CC3)[C@H]2C1 ZINC001278272137 1260688935 /nfs/dbraw/zinc/68/89/35/1260688935.db2.gz GCJZARNUZNONII-HOTGVXAUSA-N 2 0 361.490 0.562 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H](C1)O2 ZINC001278463893 1260695005 /nfs/dbraw/zinc/69/50/05/1260695005.db2.gz NELIQAWTKWAMCX-OTWHNJEPSA-N 2 0 363.502 0.809 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001278790864 1260732760 /nfs/dbraw/zinc/73/27/60/1260732760.db2.gz KKTNNLUDYWYKQT-UHFFFAOYSA-N 2 0 358.486 0.984 20 0 FCADRP O=c1[nH]cc(C[N@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834538 /nfs/dbraw/zinc/83/45/38/1260834538.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 2 0 358.446 0.928 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332252086 1266367078 /nfs/dbraw/zinc/36/70/78/1266367078.db2.gz HUHXSWHFKARLOU-INIZCTEOSA-N 2 0 366.506 0.254 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]21 ZINC001279674034 1260912720 /nfs/dbraw/zinc/91/27/20/1260912720.db2.gz GKFBWEFVQJNEQY-IRXDYDNUSA-N 2 0 357.462 0.313 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1C[N@H+](CCOC)C[C@H]1c1cn(C)cn1 ZINC001279722560 1260922251 /nfs/dbraw/zinc/92/22/51/1260922251.db2.gz QKFYLZAGVQITHJ-IAGOWNOFSA-N 2 0 365.522 0.882 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025615 1260980524 /nfs/dbraw/zinc/98/05/24/1260980524.db2.gz GBBQPGZFXPCDBO-JHNDHUHGSA-N 2 0 367.490 0.485 20 0 FCADRP CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991352 /nfs/dbraw/zinc/99/13/52/1260991352.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 3 0 359.518 0.933 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001280076007 1260992177 /nfs/dbraw/zinc/99/21/77/1260992177.db2.gz VLXKWQTVRMDLAB-IRXDYDNUSA-N 2 0 362.518 0.920 20 0 FCADRP COCOCCC[N@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280090703 1260998165 /nfs/dbraw/zinc/99/81/65/1260998165.db2.gz YDYFVEUYEXOJMV-JKSUJKDBSA-N 2 0 368.478 0.236 20 0 FCADRP CCOC(=O)CC[NH+]1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280091272 1260998330 /nfs/dbraw/zinc/99/83/30/1260998330.db2.gz LYJDEVSWIRZRJK-INIZCTEOSA-N 2 0 367.490 0.489 20 0 FCADRP COCCC[N@@H+]1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)cn2)C1 ZINC001280096152 1261000028 /nfs/dbraw/zinc/00/00/28/1261000028.db2.gz KYPJBDAXFXVPGA-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC001280093630 1261000034 /nfs/dbraw/zinc/00/00/34/1261000034.db2.gz RVVGYWIZRUASJU-HZPDHXFCSA-N 2 0 357.458 0.187 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@@H]3C(=O)NCCn3ccnn3)CC2)CC1 ZINC001280126660 1261012040 /nfs/dbraw/zinc/01/20/40/1261012040.db2.gz XZKXPZIXZVBZSS-QGZVFWFLSA-N 2 0 360.506 0.838 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](C[C@@H]2CCCOC2)C3)CC1 ZINC001280135517 1261013486 /nfs/dbraw/zinc/01/34/86/1261013486.db2.gz JIZLZGVDSCMTMR-FUHWJXTLSA-N 2 0 365.518 0.962 20 0 FCADRP Cn1cnc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C(=O)NCC2COC2)c1 ZINC001280138342 1261014319 /nfs/dbraw/zinc/01/43/19/1261014319.db2.gz WQRXTEOAJBAVPN-IAGOWNOFSA-N 2 0 361.490 0.198 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3CC2CC[NH2+]CC2)cn1 ZINC001280138416 1261014654 /nfs/dbraw/zinc/01/46/54/1261014654.db2.gz YPWIUARVSBCNMB-QFBILLFUSA-N 3 0 360.506 0.847 20 0 FCADRP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280173137 1261020470 /nfs/dbraw/zinc/02/04/70/1261020470.db2.gz KKXFQVIEUGCWLH-IAGOWNOFSA-N 2 0 359.474 0.163 20 0 FCADRP CC(C)(CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280189842 1261025977 /nfs/dbraw/zinc/02/59/77/1261025977.db2.gz ZXLOPQOOCKTDMZ-HZPDHXFCSA-N 2 0 361.490 0.441 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1CC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001280211060 1261034519 /nfs/dbraw/zinc/03/45/19/1261034519.db2.gz MPTMZEIUSYVDBF-CQSZACIVSA-N 2 0 361.494 0.983 20 0 FCADRP C[NH+](C)CCC[NH+]1CCC2(CN(C(=O)C3=CNN4C=CNC=C34)C2)CC1 ZINC001280218169 1261037186 /nfs/dbraw/zinc/03/71/86/1261037186.db2.gz GOBYIZOTFKRHOU-UHFFFAOYSA-N 2 0 358.490 0.482 20 0 FCADRP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280221019 1261038736 /nfs/dbraw/zinc/03/87/36/1261038736.db2.gz LZSBKDGOQIFWJQ-QZTJIDSGSA-N 2 0 359.518 0.979 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+]4CCCC4)CC3)[C@H]2C1 ZINC001280223455 1261039536 /nfs/dbraw/zinc/03/95/36/1261039536.db2.gz KTOIDNWKUQKLLS-ROUUACIJSA-N 2 0 363.550 0.156 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1CCC[C@]12CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255143 1261041788 /nfs/dbraw/zinc/04/17/88/1261041788.db2.gz FBGXTBCERNQJGV-HDMKZQKVSA-N 2 0 361.494 0.983 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472504256 1261472147 /nfs/dbraw/zinc/47/21/47/1261472147.db2.gz YIQAWBLLZJIPBY-QGZVFWFLSA-N 2 0 371.485 0.675 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001580290308 1278095147 /nfs/dbraw/zinc/09/51/47/1278095147.db2.gz FUXALLYCTMDKJH-QWHCGFSZSA-N 2 0 358.450 0.475 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C)[NH+](C)C ZINC001345577704 1261743951 /nfs/dbraw/zinc/74/39/51/1261743951.db2.gz BWLBCNOENNSLMU-PVAVHDDUSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001580292250 1278101537 /nfs/dbraw/zinc/10/15/37/1278101537.db2.gz RQGMMPWURHTZKT-AWEZNQCLSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001580345206 1278142891 /nfs/dbraw/zinc/14/28/91/1278142891.db2.gz IBSYOIQMQYVGOF-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580376569 1278187622 /nfs/dbraw/zinc/18/76/22/1278187622.db2.gz CXMNDSDINQZRLP-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758241 1263464196 /nfs/dbraw/zinc/46/41/96/1263464196.db2.gz SMFJEOPCCQXWCR-SQNIBIBYSA-N 2 0 363.506 0.366 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001318863442 1263619137 /nfs/dbraw/zinc/61/91/37/1263619137.db2.gz WBYVOOZAEARODG-NRFANRHFSA-N 2 0 374.529 0.766 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001319531676 1263704739 /nfs/dbraw/zinc/70/47/39/1263704739.db2.gz JJSILUSIPVLLHN-IBGZPJMESA-N 2 0 362.474 0.650 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CCC(OCC(N)=O)CC1)c1ccccc1 ZINC001320489491 1263802748 /nfs/dbraw/zinc/80/27/48/1263802748.db2.gz GCJLVVSESJRDHU-QGZVFWFLSA-N 2 0 362.474 0.372 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580387971 1278210646 /nfs/dbraw/zinc/21/06/46/1278210646.db2.gz JUMMZMYGBKTXDG-MGPQQGTHSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@@H+]1C ZINC001580387960 1278210792 /nfs/dbraw/zinc/21/07/92/1278210792.db2.gz JPSPQQDANYLCNA-AXAPSJFSSA-N 2 0 370.461 0.331 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001321510863 1263979443 /nfs/dbraw/zinc/97/94/43/1263979443.db2.gz ZRXPSCOZAHLWJB-MRXNPFEDSA-N 2 0 373.501 0.572 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001322592094 1264225178 /nfs/dbraw/zinc/22/51/78/1264225178.db2.gz SCTNFKOIQCYCGQ-MRXNPFEDSA-N 2 0 373.501 0.872 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(C)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001504909236 1264253049 /nfs/dbraw/zinc/25/30/49/1264253049.db2.gz BNXDSJCLODJWEN-OAHLLOKOSA-N 2 0 368.551 0.792 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001322810995 1264273092 /nfs/dbraw/zinc/27/30/92/1264273092.db2.gz HTOFXMWAQRJFER-QGZVFWFLSA-N 2 0 372.513 0.961 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001322823799 1264276163 /nfs/dbraw/zinc/27/61/63/1264276163.db2.gz PGBWHLRDUOIHFF-KRWDZBQOSA-N 2 0 364.465 0.881 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580400591 1278225474 /nfs/dbraw/zinc/22/54/74/1278225474.db2.gz GJNXSMVCRPRARV-ABAIWWIYSA-N 2 0 361.425 0.694 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC001323076200 1264332865 /nfs/dbraw/zinc/33/28/65/1264332865.db2.gz TXPHDATWQHCCJB-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP OCC1([NH2+]Cc2cccc(C[NH2+]C3(CO)CCOCC3)c2)CCOCC1 ZINC001323166043 1264356159 /nfs/dbraw/zinc/35/61/59/1264356159.db2.gz ZIKMFIGPFNZXLM-UHFFFAOYSA-N 2 0 364.486 0.949 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001512829549 1264679949 /nfs/dbraw/zinc/67/99/49/1264679949.db2.gz UVMLDYKGAZDISU-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC(N4CC[NH+](C)CC4)C3)c2)CC1 ZINC001324933679 1264738442 /nfs/dbraw/zinc/73/84/42/1264738442.db2.gz OWLRKOYNYCYQJZ-UHFFFAOYSA-N 2 0 371.529 0.506 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001325313805 1264845075 /nfs/dbraw/zinc/84/50/75/1264845075.db2.gz QPSAUHJJQQOKLF-QGZVFWFLSA-N 2 0 373.501 0.824 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001325428285 1264883318 /nfs/dbraw/zinc/88/33/18/1264883318.db2.gz OAKLSNODYWTENK-CYBMUJFWSA-N 2 0 370.444 0.969 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014706 1265044179 /nfs/dbraw/zinc/04/41/79/1265044179.db2.gz ZZOPBQAEVYRRDW-CQSZACIVSA-N 2 0 361.494 0.101 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580405829 1278241819 /nfs/dbraw/zinc/24/18/19/1278241819.db2.gz KFZAJAVPJRHYSJ-NEPJUHHUSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCN(c3cc[nH+]cc3)CC1)CC[NH2+]CC2 ZINC001326139785 1265064072 /nfs/dbraw/zinc/06/40/72/1265064072.db2.gz BURJLWCRQUBIFI-INIZCTEOSA-N 2 0 371.485 0.721 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513419629 1265111405 /nfs/dbraw/zinc/11/14/05/1265111405.db2.gz MFGFOXODTOJGSA-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001513430404 1265120159 /nfs/dbraw/zinc/12/01/59/1265120159.db2.gz XWAPHTPCULKEDM-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)o1 ZINC001326927203 1265200440 /nfs/dbraw/zinc/20/04/40/1265200440.db2.gz SFUSOSIQYZLQPA-INIZCTEOSA-N 2 0 364.490 0.888 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001326971011 1265210794 /nfs/dbraw/zinc/21/07/94/1265210794.db2.gz XNGVLMRBQRMWPX-KRWDZBQOSA-N 2 0 357.458 0.427 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCOC(C)(C)C1 ZINC001327076874 1265231505 /nfs/dbraw/zinc/23/15/05/1265231505.db2.gz SPNMEURVWWDHGD-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001327182763 1265248456 /nfs/dbraw/zinc/24/84/56/1265248456.db2.gz ZXVKBTISYZVILN-IBGZPJMESA-N 2 0 358.486 0.469 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001327197493 1265250423 /nfs/dbraw/zinc/25/04/23/1265250423.db2.gz CGAUPTIGVNIHQC-INIZCTEOSA-N 2 0 364.490 0.970 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001327213419 1265256371 /nfs/dbraw/zinc/25/63/71/1265256371.db2.gz SJLGUASXZCNXDQ-GVDBMIGSSA-N 2 0 368.522 0.354 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC001327456953 1265329543 /nfs/dbraw/zinc/32/95/43/1265329543.db2.gz FEODTJMVCMSGLQ-KRWDZBQOSA-N 2 0 360.458 0.762 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001327549452 1265356035 /nfs/dbraw/zinc/35/60/35/1265356035.db2.gz AXEKXYJUOLAFBH-INIZCTEOSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001327549453 1265356102 /nfs/dbraw/zinc/35/61/02/1265356102.db2.gz AXEKXYJUOLAFBH-MRXNPFEDSA-N 2 0 367.538 0.118 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327579628 1265363057 /nfs/dbraw/zinc/36/30/57/1265363057.db2.gz ZGOFTPYKZFRFNH-UXLLHSPISA-N 2 0 362.478 0.561 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332673245 1266458808 /nfs/dbraw/zinc/45/88/08/1266458808.db2.gz SXDGCCSHDHSTHV-BXWFABGCSA-N 2 0 366.506 0.047 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397694 1266591890 /nfs/dbraw/zinc/59/18/90/1266591890.db2.gz MMPMPISWAVRPMK-HOTGVXAUSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001580417728 1278270324 /nfs/dbraw/zinc/27/03/24/1278270324.db2.gz JUKNZXJMWUPZOP-VXGBXAGGSA-N 2 0 367.417 0.059 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333618735 1266653065 /nfs/dbraw/zinc/65/30/65/1266653065.db2.gz NBOOMKVPUDYRRP-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099764 1266944180 /nfs/dbraw/zinc/94/41/80/1266944180.db2.gz FGUJMXJOIYCCKR-ZWKOTPCHSA-N 2 0 363.550 0.251 20 0 FCADRP O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001334829851 1267192740 /nfs/dbraw/zinc/19/27/40/1267192740.db2.gz XKUCFHVHVOSAII-UHFFFAOYSA-N 2 0 371.485 0.769 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001532989932 1267193062 /nfs/dbraw/zinc/19/30/62/1267193062.db2.gz DJSNBJPGWXVUME-OAGGEKHMSA-N 2 0 358.502 0.923 20 0 FCADRP CSCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001334960601 1267250655 /nfs/dbraw/zinc/25/06/55/1267250655.db2.gz BCUWRNIEBMYZGB-UHFFFAOYSA-N 2 0 358.552 0.540 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](n2nnnc2N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC001335012956 1267277848 /nfs/dbraw/zinc/27/78/48/1267277848.db2.gz LGXRZNSOSMJWJA-CQSZACIVSA-N 2 0 351.499 0.611 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047564 1267794853 /nfs/dbraw/zinc/79/48/53/1267794853.db2.gz SYRDSQQKWRZACW-GJZGRUSLSA-N 2 0 358.450 0.335 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccc(F)cc1 ZINC001549044387 1267794970 /nfs/dbraw/zinc/79/49/70/1267794970.db2.gz XXCHJJOELQETIP-HRCADAONSA-N 2 0 358.421 0.909 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001549210727 1267857035 /nfs/dbraw/zinc/85/70/35/1267857035.db2.gz LLLITCQHXFZHDL-BBWFWOEESA-N 2 0 350.438 0.949 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC001549210540 1267857145 /nfs/dbraw/zinc/85/71/45/1267857145.db2.gz AGEMBJXHQVBTBW-YESZJQIVSA-N 2 0 350.438 0.949 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549214361 1267858344 /nfs/dbraw/zinc/85/83/44/1267858344.db2.gz HRESZPMMERKJFN-GBESFXJTSA-N 2 0 357.502 0.821 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001549215503 1267858699 /nfs/dbraw/zinc/85/86/99/1267858699.db2.gz RUNSYHGZJVVZRD-FGTMMUONSA-N 2 0 373.501 0.629 20 0 FCADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC001338465767 1267950814 /nfs/dbraw/zinc/95/08/14/1267950814.db2.gz GLXOAHIQZHRCGL-PBHICJAKSA-N 2 0 355.504 0.349 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338503882 1267962402 /nfs/dbraw/zinc/96/24/02/1267962402.db2.gz COIXHMRFVGQTHB-XHSDSOJGSA-N 2 0 351.495 0.180 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338503881 1267962852 /nfs/dbraw/zinc/96/28/52/1267962852.db2.gz COIXHMRFVGQTHB-ARFHVFGLSA-N 2 0 351.495 0.180 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])c1 ZINC001549733517 1267981183 /nfs/dbraw/zinc/98/11/83/1267981183.db2.gz AUXOMNIMRJWGPM-KURKYZTESA-N 2 0 368.485 0.980 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001549732266 1267981774 /nfs/dbraw/zinc/98/17/74/1267981774.db2.gz RAXLLRMPBKSQRE-IEBWSBKVSA-N 2 0 356.470 0.709 20 0 FCADRP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001549762475 1267996035 /nfs/dbraw/zinc/99/60/35/1267996035.db2.gz MKOBHJFUZOZFKJ-GVDBMIGSSA-N 2 0 361.490 0.733 20 0 FCADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)[C@H]2C1 ZINC001550062887 1268066206 /nfs/dbraw/zinc/06/62/06/1268066206.db2.gz IKDPHXABFYCMJX-WOPDTQHZSA-N 2 0 370.404 0.295 20 0 FCADRP CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001550064375 1268068391 /nfs/dbraw/zinc/06/83/91/1268068391.db2.gz FGFNUDDPOAPOSR-YYIAUSFCSA-N 2 0 363.506 0.463 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)C1=O ZINC001550092342 1268074221 /nfs/dbraw/zinc/07/42/21/1268074221.db2.gz BIXNWEVCMPXZIX-CZUORRHYSA-N 2 0 374.489 0.144 20 0 FCADRP C[C@@]12C[NH2+]C[C@H]1CN(C(=O)c1nnn(C3CC[NH2+]CC3)c1C(F)F)C2 ZINC001550116204 1268076766 /nfs/dbraw/zinc/07/67/66/1268076766.db2.gz KCNPCKOEFKULAW-QFYYESIMSA-N 2 0 354.405 0.822 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cnn1C ZINC001550114882 1268076775 /nfs/dbraw/zinc/07/67/75/1268076775.db2.gz BTORTELWRDMUKV-NEWSRXKRSA-N 2 0 353.470 0.862 20 0 FCADRP Cn1cc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001550117314 1268078398 /nfs/dbraw/zinc/07/83/98/1268078398.db2.gz YFOJTCBUIMHJLE-HZPDHXFCSA-N 2 0 360.506 0.349 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285448 1268104570 /nfs/dbraw/zinc/10/45/70/1268104570.db2.gz NZOJWHYFNDPQFM-SJORKVTESA-N 2 0 365.522 0.176 20 0 FCADRP Cn1cc(CN2CC[C@H]([NH+](C)C)C2)c(C(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)n1 ZINC001550366202 1268108421 /nfs/dbraw/zinc/10/84/21/1268108421.db2.gz CDWBEPGJYCOQEB-NUJGCVRESA-N 2 0 374.533 0.580 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC001550478242 1268124481 /nfs/dbraw/zinc/12/44/81/1268124481.db2.gz MIKBSILUEBSNEG-XPYUAMARSA-N 2 0 363.506 0.654 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)C2 ZINC001550485660 1268127340 /nfs/dbraw/zinc/12/73/40/1268127340.db2.gz BKNAPKUYBYARSF-FQQAFBJJSA-N 2 0 353.507 0.429 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541033 1268129842 /nfs/dbraw/zinc/12/98/42/1268129842.db2.gz PKJIDULFMAPSTR-IAGOWNOFSA-N 2 0 358.490 0.399 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)C[C@@H]2C1 ZINC001550743313 1268160423 /nfs/dbraw/zinc/16/04/23/1268160423.db2.gz BITNVTWBSGSQQF-WTTBNOFXSA-N 2 0 361.494 0.684 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001550748073 1268161316 /nfs/dbraw/zinc/16/13/16/1268161316.db2.gz QUNCIAOYMPLFKU-UXLLHSPISA-N 2 0 365.522 0.711 20 0 FCADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2C)CC1 ZINC001339074793 1268163308 /nfs/dbraw/zinc/16/33/08/1268163308.db2.gz SUPZOZILHLBSLP-MRXNPFEDSA-N 2 0 370.457 0.931 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550758175 1268164426 /nfs/dbraw/zinc/16/44/26/1268164426.db2.gz FYSORFXVQKYWOG-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NCc2ccncc2O[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC001550759712 1268164448 /nfs/dbraw/zinc/16/44/48/1268164448.db2.gz YZFCHRFTVQUFJL-YNEHKIRRSA-N 2 0 373.379 0.853 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550769021 1268165760 /nfs/dbraw/zinc/16/57/60/1268165760.db2.gz WJOQMUNKVQYJHK-LSDHHAIUSA-N 2 0 352.479 0.213 20 0 FCADRP COc1ccccc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912738 1268183950 /nfs/dbraw/zinc/18/39/50/1268183950.db2.gz KBALLBZANOPXOF-HNAYVOBHSA-N 2 0 360.458 0.870 20 0 FCADRP COc1cccc(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913858 1268184190 /nfs/dbraw/zinc/18/41/90/1268184190.db2.gz QAYVDTJMBKVDRM-VQIMIIECSA-N 2 0 360.458 0.870 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001550911759 1268184243 /nfs/dbraw/zinc/18/42/43/1268184243.db2.gz GCKBDKXXHGXZHB-MVWRLGRASA-N 2 0 350.507 0.727 20 0 FCADRP COc1ccccc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912742 1268184658 /nfs/dbraw/zinc/18/46/58/1268184658.db2.gz KBALLBZANOPXOF-KXBFYZLASA-N 2 0 360.458 0.870 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)CC1 ZINC001551007408 1268192541 /nfs/dbraw/zinc/19/25/41/1268192541.db2.gz IZFSFVHGMCLZEF-YEWWUXTCSA-N 2 0 363.462 0.130 20 0 FCADRP C[C@@H]1CN(CCO)CCN1C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551277976 1268220662 /nfs/dbraw/zinc/22/06/62/1268220662.db2.gz SCMLSQQANOCVKQ-LRYGQEGESA-N 2 0 368.522 0.728 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001339417227 1268233595 /nfs/dbraw/zinc/23/35/95/1268233595.db2.gz ROUPMBPEOKXAAW-QGZVFWFLSA-N 2 0 365.522 0.809 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC001551471834 1268258192 /nfs/dbraw/zinc/25/81/92/1268258192.db2.gz ZMPSHNSCVGNEDN-IXDOHACOSA-N 2 0 368.522 0.632 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551547587 1268264699 /nfs/dbraw/zinc/26/46/99/1268264699.db2.gz DOXMQLIORWJUMS-IOSXPMGOSA-N 2 0 363.506 0.594 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C[C@]2(C)C1 ZINC001551553030 1268265108 /nfs/dbraw/zinc/26/51/08/1268265108.db2.gz GNOMAVOHTKQSDD-RRIFGTCXSA-N 2 0 363.506 0.226 20 0 FCADRP C[NH2+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551552962 1268265150 /nfs/dbraw/zinc/26/51/50/1268265150.db2.gz GDYVXJCOPQYDLL-UXLLHSPISA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001551552506 1268265674 /nfs/dbraw/zinc/26/56/74/1268265674.db2.gz FBCNXDYQJCZJMQ-RDJZCZTQSA-N 2 0 363.506 0.465 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCCC12CC[NH2+]CC2 ZINC001551551759 1268265863 /nfs/dbraw/zinc/26/58/63/1268265863.db2.gz BPKZNDBINXSWRY-NVXWUHKLSA-N 2 0 363.506 0.561 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556690 1268268344 /nfs/dbraw/zinc/26/83/44/1268268344.db2.gz SPBVEJUSTBPVMI-VYDXJSESSA-N 2 0 351.495 0.465 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556244 1268268442 /nfs/dbraw/zinc/26/84/42/1268268442.db2.gz SCENOBRYIDRUGF-GDBMZVCRSA-N 2 0 351.495 0.369 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001551557808 1268269727 /nfs/dbraw/zinc/26/97/27/1268269727.db2.gz WSONXFOEYFYTGW-DFGXFYAUSA-N 2 0 363.506 0.417 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551568857 1268273605 /nfs/dbraw/zinc/27/36/05/1268273605.db2.gz CMKPITYTOCKEOZ-JLOCXQCDSA-N 2 0 363.506 0.321 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551574934 1268274081 /nfs/dbraw/zinc/27/40/81/1268274081.db2.gz DTPXEPLQPAEOGJ-QRTARXTBSA-N 2 0 351.495 0.404 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576852 1268275776 /nfs/dbraw/zinc/27/57/76/1268275776.db2.gz KCWDHMUHJBPMFR-JFIYKMOQSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551579647 1268277364 /nfs/dbraw/zinc/27/73/64/1268277364.db2.gz OSDCQQJTMTVBKA-ZMSDIMECSA-N 2 0 365.522 0.805 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551583724 1268278895 /nfs/dbraw/zinc/27/88/95/1268278895.db2.gz WMPXLXOZVPZMDW-BQFCYCMXSA-N 2 0 365.522 0.757 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585336 1268279910 /nfs/dbraw/zinc/27/99/10/1268279910.db2.gz APKSEBRKBKZBDK-SOLBZPMBSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)C1 ZINC001551595370 1268282359 /nfs/dbraw/zinc/28/23/59/1268282359.db2.gz UBPWZYIDSDBQHS-DHADLLTHSA-N 2 0 365.522 0.303 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2C)CC1 ZINC001339903531 1268365197 /nfs/dbraw/zinc/36/51/97/1268365197.db2.gz SWNCKGHTOIIGCK-CQSZACIVSA-N 2 0 350.467 0.857 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)nn1 ZINC001552164578 1268397105 /nfs/dbraw/zinc/39/71/05/1268397105.db2.gz XMTFQPMWQVMRDU-CZUORRHYSA-N 2 0 374.420 0.403 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cnn1C ZINC001552168266 1268400714 /nfs/dbraw/zinc/40/07/14/1268400714.db2.gz QZCPWPPLEAXWHM-NJAFHUGGSA-N 2 0 361.490 0.212 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC001552168772 1268401101 /nfs/dbraw/zinc/40/11/01/1268401101.db2.gz GHGUQJQXYLBRTQ-INIZCTEOSA-N 2 0 361.494 0.101 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC001552168343 1268401130 /nfs/dbraw/zinc/40/11/30/1268401130.db2.gz UTRICFYAXYOOMS-ZTFGCOKTSA-N 2 0 362.522 0.174 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)CCCC2)CC1 ZINC001552201261 1268408161 /nfs/dbraw/zinc/40/81/61/1268408161.db2.gz LXVZAPBEKGLZCX-BEFAXECRSA-N 2 0 351.491 0.762 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552202139 1268408431 /nfs/dbraw/zinc/40/84/31/1268408431.db2.gz AXPHBGPZOLLMDQ-PZJWPPBQSA-N 2 0 372.513 0.676 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CC2)nc1 ZINC001552203430 1268409753 /nfs/dbraw/zinc/40/97/53/1268409753.db2.gz BNHKNWVXCCAGPU-QFBILLFUSA-N 2 0 359.474 0.028 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([C@H]3C[NH2+]C[C@H]3OC)nn2)CC1 ZINC001552210486 1268411290 /nfs/dbraw/zinc/41/12/90/1268411290.db2.gz ANDZHSQMYZNUDG-GDBMZVCRSA-N 2 0 364.494 0.313 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cnn1C ZINC001552215132 1268412483 /nfs/dbraw/zinc/41/24/83/1268412483.db2.gz CDHOJRXLAHGJHC-RYQLBKOJSA-N 2 0 361.490 0.401 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC001552257184 1268423949 /nfs/dbraw/zinc/42/39/49/1268423949.db2.gz JJEAQMPQZITGGC-JCKWVBRZSA-N 2 0 364.494 0.203 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)Cn2cc([C@H]3C[NH2+]C[C@H]3OC)nn2)CC1 ZINC001552258184 1268424516 /nfs/dbraw/zinc/42/45/16/1268424516.db2.gz RJNUFCSKLNNSMA-GDBMZVCRSA-N 2 0 364.494 0.313 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cnn1C ZINC001552272978 1268429087 /nfs/dbraw/zinc/42/90/87/1268429087.db2.gz IUUREWYHEBNJLB-VZZFWQQMSA-N 2 0 359.396 0.627 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001552297180 1268435126 /nfs/dbraw/zinc/43/51/26/1268435126.db2.gz LYHNPQDAIZVBMU-PKOBYXMFSA-N 2 0 358.486 0.912 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421427 1268460050 /nfs/dbraw/zinc/46/00/50/1268460050.db2.gz FHNAULKGIWHYEX-MSOLQXFVSA-N 2 0 352.523 0.630 20 0 FCADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@@H]21 ZINC001552431052 1268461107 /nfs/dbraw/zinc/46/11/07/1268461107.db2.gz PNVNMJQBFAUMAW-HOCLYGCPSA-N 2 0 360.458 0.982 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340321785 1268510412 /nfs/dbraw/zinc/51/04/12/1268510412.db2.gz CMLOYWNZOFILIQ-LPHOPBHVSA-N 2 0 369.506 0.757 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC001552695665 1268523431 /nfs/dbraw/zinc/52/34/31/1268523431.db2.gz QIYJAZNLZGQQLI-BFYDXBDKSA-N 2 0 362.478 0.515 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001340397057 1268534867 /nfs/dbraw/zinc/53/48/67/1268534867.db2.gz DCYIEVIERSFQNL-AZUAARDMSA-N 2 0 361.486 0.898 20 0 FCADRP Cc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552847245 1268559470 /nfs/dbraw/zinc/55/94/70/1268559470.db2.gz QAABVVNCTRDIMZ-TUAOUCFPSA-N 2 0 360.384 0.720 20 0 FCADRP Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552924436 1268566610 /nfs/dbraw/zinc/56/66/10/1268566610.db2.gz AQWXGHBXYWXZKH-XJKSGUPXSA-N 2 0 355.446 0.867 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@H](CN4CCOCC4)O3)C2)C1 ZINC001553143509 1268597338 /nfs/dbraw/zinc/59/73/38/1268597338.db2.gz DAHDKKVJTVATRX-LMMKCTJWSA-N 2 0 351.491 0.811 20 0 FCADRP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1(O)C[NH2+]C1 ZINC001340596882 1268598215 /nfs/dbraw/zinc/59/82/15/1268598215.db2.gz UYDQSLBYSCAENC-SFHVURJKSA-N 2 0 355.438 0.586 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@@H]2C1 ZINC001553392586 1268641701 /nfs/dbraw/zinc/64/17/01/1268641701.db2.gz XYTLIKYKVORFKZ-UZLBHIALSA-N 2 0 372.469 0.639 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553386890 1268642368 /nfs/dbraw/zinc/64/23/68/1268642368.db2.gz WLIYGQUSJOCVHH-PBHICJAKSA-N 2 0 351.472 0.248 20 0 FCADRP CN(C)C(=O)COc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553389564 1268643146 /nfs/dbraw/zinc/64/31/46/1268643146.db2.gz MYFSQNRHPARKHK-JXFKEZNVSA-N 2 0 374.485 0.311 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@@H]2C1 ZINC001553399737 1268644003 /nfs/dbraw/zinc/64/40/03/1268644003.db2.gz TVDLNVNUEBFQMM-BMLIUANNSA-N 2 0 370.375 0.700 20 0 FCADRP Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001340763316 1268648833 /nfs/dbraw/zinc/64/88/33/1268648833.db2.gz LMDSECLGZBCBAQ-INIZCTEOSA-N 2 0 369.429 0.665 20 0 FCADRP Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001340763317 1268649343 /nfs/dbraw/zinc/64/93/43/1268649343.db2.gz LMDSECLGZBCBAQ-MRXNPFEDSA-N 2 0 369.429 0.665 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340772023 1268651594 /nfs/dbraw/zinc/65/15/94/1268651594.db2.gz CAIYYRTUWZAYRL-QGZVFWFLSA-N 2 0 372.469 0.902 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553444965 1268651878 /nfs/dbraw/zinc/65/18/78/1268651878.db2.gz YBDQUKRFDUFHGS-AEFFLSMTSA-N 2 0 372.517 0.974 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@@H]1CN(C)CCO1 ZINC001553460705 1268654830 /nfs/dbraw/zinc/65/48/30/1268654830.db2.gz AKTLAGGGQRQBBI-ZVZYQTTQSA-N 2 0 354.495 0.493 20 0 FCADRP Cc1nnsc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553480857 1268656869 /nfs/dbraw/zinc/65/68/69/1268656869.db2.gz BZDAGLGAKSHBGO-OKILXGFUSA-N 2 0 350.492 0.957 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001553518126 1268662832 /nfs/dbraw/zinc/66/28/32/1268662832.db2.gz MEPQTCPLNYHVFZ-XGWLTEMNSA-N 2 0 351.495 0.321 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2[C@H]3CCCC[NH2+][C@@H]32)CC1 ZINC001553555309 1268669493 /nfs/dbraw/zinc/66/94/93/1268669493.db2.gz JJJVADAVSMOGLM-HRCADAONSA-N 2 0 363.506 0.642 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)nn1 ZINC001554035754 1268745149 /nfs/dbraw/zinc/74/51/49/1268745149.db2.gz MHKYYQSMQJIDQD-ZBFHGGJFSA-N 2 0 368.401 0.199 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1n1ccnn1 ZINC001554064300 1268750143 /nfs/dbraw/zinc/75/01/43/1268750143.db2.gz BXIXTQBMQVJNBZ-HZPDHXFCSA-N 2 0 367.417 0.878 20 0 FCADRP Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001341060669 1268766533 /nfs/dbraw/zinc/76/65/33/1268766533.db2.gz WALGLPYDQIAVLV-INIZCTEOSA-N 2 0 361.490 0.974 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001341102978 1268785177 /nfs/dbraw/zinc/78/51/77/1268785177.db2.gz LOCNEZOIBHTQSE-ROUUACIJSA-N 2 0 371.485 0.548 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244081 1268885510 /nfs/dbraw/zinc/88/55/10/1268885510.db2.gz LNEAHALVTUESEB-KBXCAEBGSA-N 2 0 372.469 0.922 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)C[C@H]1C[NH+](C)C ZINC001341503996 1269036747 /nfs/dbraw/zinc/03/67/47/1269036747.db2.gz WMNMTJZJAFCLJY-IIDMSEBBSA-N 3 0 351.495 0.083 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001341625879 1269117144 /nfs/dbraw/zinc/11/71/44/1269117144.db2.gz CLZUNGFHIVMFLP-FQEVSTJZSA-N 2 0 360.502 0.555 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341677905 1269147368 /nfs/dbraw/zinc/14/73/68/1269147368.db2.gz VIJZYIGDXXSNKI-ZIFCJYIRSA-N 2 0 352.523 0.508 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C1)CC2 ZINC001341731695 1269175022 /nfs/dbraw/zinc/17/50/22/1269175022.db2.gz BINIEHAYAYYBCV-JZXOWHBKSA-N 2 0 373.501 0.861 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001341733335 1269176712 /nfs/dbraw/zinc/17/67/12/1269176712.db2.gz NOGOXDHWRZKOHK-WMZOPIPTSA-N 2 0 358.486 0.908 20 0 FCADRP C[NH2+]C1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCC1 ZINC001341786128 1269204674 /nfs/dbraw/zinc/20/46/74/1269204674.db2.gz FDOPYQDWMNGXAL-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@@H+]1C ZINC001565866152 1269498649 /nfs/dbraw/zinc/49/86/49/1269498649.db2.gz ZCHMAPVAJFVBQN-WRQOLXDDSA-N 2 0 366.506 0.106 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C(=O)[C@H](C[NH3+])OC ZINC001342962148 1269702082 /nfs/dbraw/zinc/70/20/82/1269702082.db2.gz WJKXYNHIBLHOEG-IKGGRYGDSA-N 2 0 363.458 0.530 20 0 FCADRP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568196090 1269722197 /nfs/dbraw/zinc/72/21/97/1269722197.db2.gz QNZBHDCRRLPVPA-JQHSSLGASA-N 2 0 360.502 0.810 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001343492867 1269926625 /nfs/dbraw/zinc/92/66/25/1269926625.db2.gz WJPZAZLUWRFOOO-IBGZPJMESA-N 2 0 368.485 0.829 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)[NH+]1CCCCCC1 ZINC001343675893 1269980305 /nfs/dbraw/zinc/98/03/05/1269980305.db2.gz YPLGOEMRJYSJCX-ZACQAIPSSA-N 2 0 368.522 0.281 20 0 FCADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001571959527 1269984330 /nfs/dbraw/zinc/98/43/30/1269984330.db2.gz JQYNYSICIOUNGZ-SQWLQELKSA-N 2 0 350.507 0.632 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001572781221 1270134343 /nfs/dbraw/zinc/13/43/43/1270134343.db2.gz SPJYIFNWNOKNAD-OKZBNKHCSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC001572819341 1270190533 /nfs/dbraw/zinc/19/05/33/1270190533.db2.gz KXCQGJNFWPEULR-IXDOHACOSA-N 2 0 368.522 0.281 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1OC)[NH+](C)C ZINC001572960157 1270412565 /nfs/dbraw/zinc/41/25/65/1270412565.db2.gz AXLDUIZMVKAXIR-OWCLPIDISA-N 2 0 354.495 0.153 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001580627375 1278575396 /nfs/dbraw/zinc/57/53/96/1278575396.db2.gz RUYCWEAZDKMWAX-SQNIBIBYSA-N 2 0 356.470 0.588 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001580627374 1278576240 /nfs/dbraw/zinc/57/62/40/1278576240.db2.gz RUYCWEAZDKMWAX-KURKYZTESA-N 2 0 356.470 0.588 20 0 FCADRP CC(C)[C@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573975932 1270969746 /nfs/dbraw/zinc/96/97/46/1270969746.db2.gz UTXCRHRDSWYNTO-SEEARECTSA-N 2 0 372.477 0.671 20 0 FCADRP CC(C)[C@@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977122 1270972060 /nfs/dbraw/zinc/97/20/60/1270972060.db2.gz KPTROSARXTWELJ-ZUEPYMLJSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977850 1270972544 /nfs/dbraw/zinc/97/25/44/1270972544.db2.gz QXEDBPKWJIWCOI-BBRMVZONSA-N 2 0 372.477 0.790 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574252467 1271121421 /nfs/dbraw/zinc/12/14/21/1271121421.db2.gz IDLHGKKKMMCVED-GFCCVEGCSA-N 2 0 363.491 0.959 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260535 1271132798 /nfs/dbraw/zinc/13/27/98/1271132798.db2.gz LKLFYZWDFHHRLC-BETUJISGSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574542898 1271325364 /nfs/dbraw/zinc/32/53/64/1271325364.db2.gz GHZJIJXAOPGSDP-OLZOCXBDSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574589793 1271388613 /nfs/dbraw/zinc/38/86/13/1271388613.db2.gz XJWSGHXGHWIYNZ-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597792 1271401305 /nfs/dbraw/zinc/40/13/05/1271401305.db2.gz QHVSTOPSVSAGNB-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574804577 1271545098 /nfs/dbraw/zinc/54/50/98/1271545098.db2.gz MIBIXNCMMCIRII-SWLSCSKDSA-N 2 0 360.466 0.789 20 0 FCADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853561 1271603479 /nfs/dbraw/zinc/60/34/79/1271603479.db2.gz BTUZPGGEDAZQBE-LBPRGKRZSA-N 2 0 356.434 0.229 20 0 FCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574853628 1271603869 /nfs/dbraw/zinc/60/38/69/1271603869.db2.gz RGRXJWKVZVNBMZ-LLVKDONJSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875660 1271630496 /nfs/dbraw/zinc/63/04/96/1271630496.db2.gz YAIJBYNNLBBTRV-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876316 1271634286 /nfs/dbraw/zinc/63/42/86/1271634286.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877491 1271640213 /nfs/dbraw/zinc/64/02/13/1271640213.db2.gz SGLICDYCEWUKKV-CJNGLKHVSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884911 1271643601 /nfs/dbraw/zinc/64/36/01/1271643601.db2.gz IHMCLASKYNRFNT-SWLSCSKDSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCSCC1 ZINC001575047943 1271699655 /nfs/dbraw/zinc/69/96/55/1271699655.db2.gz GJCYHRASOVAMGD-BHYGNILZSA-N 3 0 352.548 0.851 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001575100546 1271719674 /nfs/dbraw/zinc/71/96/74/1271719674.db2.gz SWQDHMJBSQYVEI-CALCHBBNSA-N 2 0 350.507 0.524 20 0 FCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575385479 1272030827 /nfs/dbraw/zinc/03/08/27/1272030827.db2.gz NPCSEGVJPZKSNC-KBPBESRZSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575389348 1272037856 /nfs/dbraw/zinc/03/78/56/1272037856.db2.gz UCQXAEHLQVIYHN-QWRGUYRKSA-N 2 0 351.480 0.863 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001575715794 1272358124 /nfs/dbraw/zinc/35/81/24/1272358124.db2.gz KLQGRNDEGLHPQG-GJZGRUSLSA-N 2 0 363.510 0.684 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH3+] ZINC001575716245 1272360022 /nfs/dbraw/zinc/36/00/22/1272360022.db2.gz OCLDEHXTJYFNHO-UHFFFAOYSA-N 2 0 351.499 0.686 20 0 FCADRP C[C@@H](Cn1c(CC2CC2)nnc1N1CC[NH2+][C@H](C)C1)C[NH+]1CCOCC1 ZINC001576007929 1272696780 /nfs/dbraw/zinc/69/67/80/1272696780.db2.gz JSKAJUQMFZETQG-HZPDHXFCSA-N 2 0 362.522 0.997 20 0 FCADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC[NH+](C)C ZINC001576018933 1272719859 /nfs/dbraw/zinc/71/98/59/1272719859.db2.gz KKPRANXILJRASU-RYUDHWBXSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576231214 1272997372 /nfs/dbraw/zinc/99/73/72/1272997372.db2.gz GMWZKBCXFQDGEU-SWLSCSKDSA-N 2 0 368.445 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576245956 1273024465 /nfs/dbraw/zinc/02/44/65/1273024465.db2.gz KEBNZUGQGAKFAV-OCCSQVGLSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576481563 1273322522 /nfs/dbraw/zinc/32/25/22/1273322522.db2.gz CXAMFLGLTSXEFV-OAHLLOKOSA-N 2 0 363.441 0.894 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486384 1273335272 /nfs/dbraw/zinc/33/52/72/1273335272.db2.gz UZJFZDWVFMVVCH-HZPDHXFCSA-N 2 0 350.467 0.386 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576488543 1273338096 /nfs/dbraw/zinc/33/80/96/1273338096.db2.gz ANZOUXXGBFHZFI-CJNGLKHVSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](CC)CC ZINC001576498796 1273359308 /nfs/dbraw/zinc/35/93/08/1273359308.db2.gz DQMSYIBYIOYQBH-HNNXBMFYSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](CC)CC ZINC001576498797 1273359640 /nfs/dbraw/zinc/35/96/40/1273359640.db2.gz DQMSYIBYIOYQBH-OAHLLOKOSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576508603 1273380010 /nfs/dbraw/zinc/38/00/10/1273380010.db2.gz KNAXIIZNBMHPIL-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576508287 1273380603 /nfs/dbraw/zinc/38/06/03/1273380603.db2.gz GVLCJCDFFMPLAJ-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576512033 1273386560 /nfs/dbraw/zinc/38/65/60/1273386560.db2.gz JDLDAWVXXREAKF-TWMKSMIVSA-N 2 0 369.473 0.753 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576512804 1273391149 /nfs/dbraw/zinc/39/11/49/1273391149.db2.gz SQIQZLNWBNUIKN-XEZPLFJOSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@H](C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576520600 1273404273 /nfs/dbraw/zinc/40/42/73/1273404273.db2.gz PWIHGDUXGFSAQM-KDOFPFPSSA-N 2 0 372.477 0.995 20 0 FCADRP C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@H+]1CC=CCC1 ZINC001576575319 1273454269 /nfs/dbraw/zinc/45/42/69/1273454269.db2.gz ZFASOUZTBUTQDE-CVEARBPZSA-N 2 0 373.505 0.631 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001576709918 1273578617 /nfs/dbraw/zinc/57/86/17/1273578617.db2.gz WQBVJOAGWMLDKI-CABCVRRESA-N 2 0 363.510 0.686 20 0 FCADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576767257 1273647010 /nfs/dbraw/zinc/64/70/10/1273647010.db2.gz LUKJVBNCUQAWQN-CJNGLKHVSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576785198 1273674126 /nfs/dbraw/zinc/67/41/26/1273674126.db2.gz KRLGSWFGRJQZCX-INIZCTEOSA-N 2 0 369.473 0.947 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796662 1273699420 /nfs/dbraw/zinc/69/94/20/1273699420.db2.gz QKESXUUJVSGEIE-OLZOCXBDSA-N 2 0 358.450 0.250 20 0 FCADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824600 1273747173 /nfs/dbraw/zinc/74/71/73/1273747173.db2.gz SJAYMKNNXPGIDI-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP O=C(NCc1cn(C2C[NH2+]C2)nn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001580725128 1278810738 /nfs/dbraw/zinc/81/07/38/1278810738.db2.gz QGPKZINZTQTNJQ-MRXNPFEDSA-N 2 0 354.458 0.951 20 0 FCADRP C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001576828488 1273753384 /nfs/dbraw/zinc/75/33/84/1273753384.db2.gz HFMUBVMVRPYHOR-OSRDXIQISA-N 2 0 361.494 0.495 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCOCC[NH+](C)C)C[C@H]1[NH3+] ZINC001576833232 1273760442 /nfs/dbraw/zinc/76/04/42/1273760442.db2.gz RMCIKTKPAJHLKO-BZUAXINKSA-N 2 0 366.510 0.881 20 0 FCADRP C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576840007 1273776854 /nfs/dbraw/zinc/77/68/54/1273776854.db2.gz YFWAIWXXKODHHI-RDTXWAMCSA-N 2 0 350.511 0.731 20 0 FCADRP C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001576845915 1273787172 /nfs/dbraw/zinc/78/71/72/1273787172.db2.gz SAYQJLLXFLIBEN-MRXNPFEDSA-N 2 0 373.505 0.640 20 0 FCADRP C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001576845914 1273787628 /nfs/dbraw/zinc/78/76/28/1273787628.db2.gz SAYQJLLXFLIBEN-INIZCTEOSA-N 2 0 373.505 0.640 20 0 FCADRP C[C@@H]1COCCN1c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001576863243 1273828012 /nfs/dbraw/zinc/82/80/12/1273828012.db2.gz YRPAEXVLCIZVTQ-KFWWJZLASA-N 2 0 366.535 0.757 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576882685 1273863977 /nfs/dbraw/zinc/86/39/77/1273863977.db2.gz JAVFIJVPLDGFRT-RHSMWYFYSA-N 2 0 364.494 0.333 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001576996788 1274028071 /nfs/dbraw/zinc/02/80/71/1274028071.db2.gz XDSHVMVJUNNBMM-QXSJWSMHSA-N 2 0 364.494 0.994 20 0 FCADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026564 1274082364 /nfs/dbraw/zinc/08/23/64/1274082364.db2.gz GACUWWIHRMIUIG-LSDHHAIUSA-N 2 0 366.510 0.676 20 0 FCADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)N2CC[NH2+]CC2)CC1 ZINC001577535422 1274476781 /nfs/dbraw/zinc/47/67/81/1274476781.db2.gz ALLPPFWTNVPXHJ-UHFFFAOYSA-N 3 0 359.518 0.740 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550280 1274489759 /nfs/dbraw/zinc/48/97/59/1274489759.db2.gz CGNHPYPAXVSESI-KGLIPLIRSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577553574 1274492390 /nfs/dbraw/zinc/49/23/90/1274492390.db2.gz CIUIYUDJDDJZDT-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577554075 1274494611 /nfs/dbraw/zinc/49/46/11/1274494611.db2.gz PEMKFQSDLJMULA-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577554203 1274496349 /nfs/dbraw/zinc/49/63/49/1274496349.db2.gz QOBUYDJNBLVKGL-GXTWGEPZSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577561123 1274509152 /nfs/dbraw/zinc/50/91/52/1274509152.db2.gz QQGNSMRPTUNJRL-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563171 1274516953 /nfs/dbraw/zinc/51/69/53/1274516953.db2.gz MLEGYZPVXZHOSR-BETUJISGSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577565158 1274520257 /nfs/dbraw/zinc/52/02/57/1274520257.db2.gz LDLGBBFIAGMNHZ-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567792 1274525232 /nfs/dbraw/zinc/52/52/32/1274525232.db2.gz HLIFAGJGMIUXGK-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577568529 1274527589 /nfs/dbraw/zinc/52/75/89/1274527589.db2.gz SXRJHTVBQVWQRE-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP Cc1ncc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571610 1274536406 /nfs/dbraw/zinc/53/64/06/1274536406.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 0 369.473 0.649 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577573861 1274538362 /nfs/dbraw/zinc/53/83/62/1274538362.db2.gz FEYVPWGIGQNOJD-UHFFFAOYSA-N 2 0 358.450 0.476 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666317 1274685511 /nfs/dbraw/zinc/68/55/11/1274685511.db2.gz ZHHWERNOFIRLTQ-BBRMVZONSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667534 1274689876 /nfs/dbraw/zinc/68/98/76/1274689876.db2.gz DWJDUSWDHZKDSX-CJNGLKHVSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669149 1274693165 /nfs/dbraw/zinc/69/31/65/1274693165.db2.gz OWBWOQIQWHBMKN-CJNGLKHVSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670614 1274700364 /nfs/dbraw/zinc/70/03/64/1274700364.db2.gz XIHHNKCLJGQFQP-BBRMVZONSA-N 2 0 370.461 0.571 20 0 FCADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001577687736 1274741269 /nfs/dbraw/zinc/74/12/69/1274741269.db2.gz RAIPXHQAVMPRAD-CABCVRRESA-N 2 0 363.510 0.889 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)C1 ZINC001577697484 1274763828 /nfs/dbraw/zinc/76/38/28/1274763828.db2.gz KRQAPEOYYNFYLR-HUUCEWRRSA-N 2 0 363.510 0.412 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1CCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577805897 1274910197 /nfs/dbraw/zinc/91/01/97/1274910197.db2.gz YLGIELHGFLEUIX-QGZVFWFLSA-N 2 0 364.494 0.430 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852071 1274991159 /nfs/dbraw/zinc/99/11/59/1274991159.db2.gz JGELOBCLPKMSGP-UONOGXRCSA-N 2 0 372.477 0.532 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859284 1275017470 /nfs/dbraw/zinc/01/74/70/1275017470.db2.gz APUQXPUBJUKKFG-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860479 1275021963 /nfs/dbraw/zinc/02/19/63/1275021963.db2.gz XQGIUEGZPZMJIE-CHWSQXEVSA-N 2 0 360.466 0.721 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859956 1275022405 /nfs/dbraw/zinc/02/24/05/1275022405.db2.gz QGVACRVBEPMKTI-CHWSQXEVSA-N 2 0 360.466 0.639 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866342 1275044383 /nfs/dbraw/zinc/04/43/83/1275044383.db2.gz FCWIRALMZOZTCM-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577871204 1275059863 /nfs/dbraw/zinc/05/98/63/1275059863.db2.gz BQIIKBUGEUQNCG-JOCQHMNTSA-N 2 0 358.450 0.393 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882374 1275080978 /nfs/dbraw/zinc/08/09/78/1275080978.db2.gz AZVTXCDHAFSROB-UONOGXRCSA-N 2 0 372.477 0.532 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577882924 1275083593 /nfs/dbraw/zinc/08/35/93/1275083593.db2.gz PKHFJNAZKLYPIP-LRDDRELGSA-N 2 0 372.477 0.593 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577885670 1275089499 /nfs/dbraw/zinc/08/94/99/1275089499.db2.gz JNXLSOGSDMKKFJ-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577885704 1275089952 /nfs/dbraw/zinc/08/99/52/1275089952.db2.gz KYWJDOIGVWYHJU-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577886100 1275090991 /nfs/dbraw/zinc/09/09/91/1275090991.db2.gz XJSRBBRRPDWDKK-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888056 1275093594 /nfs/dbraw/zinc/09/35/94/1275093594.db2.gz BCLXJIQJUDVFDU-KBPBESRZSA-N 2 0 370.461 0.701 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577891519 1275099166 /nfs/dbraw/zinc/09/91/66/1275099166.db2.gz FJZPVKAMHGHCLA-LBPRGKRZSA-N 2 0 360.466 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577892454 1275100929 /nfs/dbraw/zinc/10/09/29/1275100929.db2.gz OOKAEBJUZGXBIU-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](CCNC(=O)Cc1cncn1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578029832 1275304349 /nfs/dbraw/zinc/30/43/49/1275304349.db2.gz SSDRBZLTVLSMHV-UHFFFAOYSA-N 2 0 368.445 0.781 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001578110160 1275413948 /nfs/dbraw/zinc/41/39/48/1275413948.db2.gz YDVDGQITUWMGAI-UHFFFAOYSA-N 2 0 358.450 0.348 20 0 FCADRP CCOCc1nnc(N2CCC(C)([NH3+])CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578131951 1275430648 /nfs/dbraw/zinc/43/06/48/1275430648.db2.gz CUFUWJJWHHNADZ-QGZVFWFLSA-N 2 0 352.483 0.199 20 0 FCADRP CCc1nnc(N2CC[C@@H](C[NH2+]C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001578311589 1275650787 /nfs/dbraw/zinc/65/07/87/1275650787.db2.gz IONDLNDWDBHNMH-CVEARBPZSA-N 2 0 350.511 0.855 20 0 FCADRP CCc1nnc(N2CC[C@H]([NH3+])C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001578328643 1275674402 /nfs/dbraw/zinc/67/44/02/1275674402.db2.gz JRNDNMLUAQMLJF-GJZGRUSLSA-N 2 0 363.510 0.321 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578397759 1275773049 /nfs/dbraw/zinc/77/30/49/1275773049.db2.gz XFHKOIKWBWEPNC-CVEARBPZSA-N 2 0 353.511 0.618 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CC2([NH3+])COC2)CC1 ZINC001578413374 1275784879 /nfs/dbraw/zinc/78/48/79/1275784879.db2.gz MZIXLNNLUDESDG-UHFFFAOYSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001578418700 1275787118 /nfs/dbraw/zinc/78/71/18/1275787118.db2.gz OREFLDHQGIVTTA-UHFFFAOYSA-N 2 0 351.520 0.679 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578418297 1275787710 /nfs/dbraw/zinc/78/77/10/1275787710.db2.gz DZZIJXXXNZGHMD-LJQANCHMSA-N 2 0 353.507 0.840 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001578444156 1275829249 /nfs/dbraw/zinc/82/92/49/1275829249.db2.gz KWXIKZRWJZNOMH-DVOMOZLQSA-N 2 0 370.461 0.427 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001578449011 1275844813 /nfs/dbraw/zinc/84/48/13/1275844813.db2.gz RPQKKKCDPDQNGW-WFGGJUAMSA-N 2 0 370.461 0.473 20 0 FCADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578468425 1275881153 /nfs/dbraw/zinc/88/11/53/1275881153.db2.gz YDGLEDCEYXKMPE-ZDUSSCGKSA-N 2 0 357.410 0.510 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001578521583 1275956368 /nfs/dbraw/zinc/95/63/68/1275956368.db2.gz XSWXFCIVTCVNKH-CALCHBBNSA-N 2 0 356.536 0.723 20 0 FCADRP C[NH+]1CCC(CNC(=O)c2cnnn2C2C[NH2+]C2)(c2ccccc2)CC1 ZINC001578524734 1275957881 /nfs/dbraw/zinc/95/78/81/1275957881.db2.gz HUCDJFLKELPODD-UHFFFAOYSA-N 2 0 354.458 0.816 20 0 FCADRP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001578576012 1276008557 /nfs/dbraw/zinc/00/85/57/1276008557.db2.gz MTUJHUCTWOTAMQ-YCPHGPKFSA-N 2 0 358.494 0.959 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001578609484 1276045138 /nfs/dbraw/zinc/04/51/38/1276045138.db2.gz UIQJUUZFHSMNIY-HZPDHXFCSA-N 2 0 373.505 0.918 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)CCOC)C1 ZINC001578615588 1276051848 /nfs/dbraw/zinc/05/18/48/1276051848.db2.gz NSYRTOWMQCNUNV-HOTGVXAUSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001578668733 1276122002 /nfs/dbraw/zinc/12/20/02/1276122002.db2.gz AOGGGRSWXHXMCE-MRXNPFEDSA-N 2 0 350.511 0.868 20 0 FCADRP C[NH2+]CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001578720642 1276194065 /nfs/dbraw/zinc/19/40/65/1276194065.db2.gz JRHSZPLROAFANG-MRXNPFEDSA-N 2 0 371.489 0.718 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)Cn2c(C[NH3+])nc3ccccc32)CC[N@H+](C)C1 ZINC001578797972 1276286875 /nfs/dbraw/zinc/28/68/75/1276286875.db2.gz VZBWWTLTYJGKMU-CYBMUJFWSA-N 2 0 359.430 0.058 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001578808653 1276301014 /nfs/dbraw/zinc/30/10/14/1276301014.db2.gz IRULXFNRKGRWKV-OAHLLOKOSA-N 2 0 354.495 0.143 20 0 FCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893437 1276429123 /nfs/dbraw/zinc/42/91/23/1276429123.db2.gz JYUSAIXKSPTXBK-DLBZAZTESA-N 2 0 369.473 0.994 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578966419 1276511652 /nfs/dbraw/zinc/51/16/52/1276511652.db2.gz RKWIYKZXYLQHII-BETUJISGSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578974849 1276524469 /nfs/dbraw/zinc/52/44/69/1276524469.db2.gz VFVTWNGJKYBOMB-CQSZACIVSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001578975763 1276526663 /nfs/dbraw/zinc/52/66/63/1276526663.db2.gz HKGJJUNKVADYFO-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001578977411 1276531477 /nfs/dbraw/zinc/53/14/77/1276531477.db2.gz OFFCYNSVGHCCLZ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001578978677 1276535752 /nfs/dbraw/zinc/53/57/52/1276535752.db2.gz LKAASOZDQYTAFH-LSDHHAIUSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578978462 1276536328 /nfs/dbraw/zinc/53/63/28/1276536328.db2.gz JCYHHPSXGWKGCR-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001578978922 1276536956 /nfs/dbraw/zinc/53/69/56/1276536956.db2.gz QUCYYHCHFFNHGU-CYBMUJFWSA-N 2 0 363.491 0.864 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578980108 1276538708 /nfs/dbraw/zinc/53/87/08/1276538708.db2.gz AJYVPLHVOUSVQQ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001578981540 1276542246 /nfs/dbraw/zinc/54/22/46/1276542246.db2.gz ZEWLMJLWCDQEJY-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982080 1276543838 /nfs/dbraw/zinc/54/38/38/1276543838.db2.gz DTHICEINKYEGKA-GOSISDBHSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982083 1276544031 /nfs/dbraw/zinc/54/40/31/1276544031.db2.gz DTHICEINKYEGKA-SFHVURJKSA-N 2 0 372.477 0.676 20 0 FCADRP CN(C(=O)CCC[NH+](C)C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578982469 1276544920 /nfs/dbraw/zinc/54/49/20/1276544920.db2.gz QSECOIGPDUTQMA-INIZCTEOSA-N 2 0 372.477 0.674 20 0 FCADRP COCC1(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)CC[NH2+]CC1 ZINC001578982733 1276547758 /nfs/dbraw/zinc/54/77/58/1276547758.db2.gz AMDJQMJIUNMKAV-UHFFFAOYSA-N 2 0 351.495 0.671 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578987464 1276557632 /nfs/dbraw/zinc/55/76/32/1276557632.db2.gz DXEJDQQCORYPCP-CTYIDZIISA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578988526 1276562046 /nfs/dbraw/zinc/56/20/46/1276562046.db2.gz ZRYHFENERYBQEC-HAQNSBGRSA-N 2 0 363.491 0.864 20 0 FCADRP COC[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001578989986 1276563993 /nfs/dbraw/zinc/56/39/93/1276563993.db2.gz VMLXXFMPIXPHSZ-KKUMJFAQSA-N 2 0 352.483 0.504 20 0 FCADRP C[N@H+](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013907 1276588115 /nfs/dbraw/zinc/58/81/15/1276588115.db2.gz HZYMGZYPRVKUGS-JOCQHMNTSA-N 2 0 370.461 0.475 20 0 FCADRP COCCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CC[NH+]1CCSCC1 ZINC001579021684 1276599249 /nfs/dbraw/zinc/59/92/49/1276599249.db2.gz PITSSLNMINZFDH-OAHLLOKOSA-N 2 0 368.551 0.877 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001579022506 1276600971 /nfs/dbraw/zinc/60/09/71/1276600971.db2.gz YAWUZKCGXZSZST-GOEBONIOSA-N 2 0 359.478 0.702 20 0 FCADRP COCC[N@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CCC([NH3+])CC1 ZINC001579028791 1276611578 /nfs/dbraw/zinc/61/15/78/1276611578.db2.gz XFYPZJDOUKLLIK-HNNXBMFYSA-N 2 0 366.510 0.678 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3[NH2+]2)C[C@@H]1C ZINC001579038280 1276622628 /nfs/dbraw/zinc/62/26/28/1276622628.db2.gz FKYNUIVKJFBYBD-ORQFMDKSSA-N 2 0 364.494 0.120 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2C[NH2+]C2)C[C@@H]1C ZINC001579038532 1276624945 /nfs/dbraw/zinc/62/49/45/1276624945.db2.gz IASVOEJJOTZVPX-AWEZNQCLSA-N 2 0 359.478 0.650 20 0 FCADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001579164508 1276915078 /nfs/dbraw/zinc/91/50/78/1276915078.db2.gz JPRBNRNPIQNCSS-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP COc1cc(NC(=O)NC[C@]2(O)CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC001579164240 1276915594 /nfs/dbraw/zinc/91/55/94/1276915594.db2.gz HCHUYALHAMSBIC-KRWDZBQOSA-N 2 0 352.435 0.482 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168370 1276920564 /nfs/dbraw/zinc/92/05/64/1276920564.db2.gz GUKDJJRJIBIOFZ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579172379 1276926895 /nfs/dbraw/zinc/92/68/95/1276926895.db2.gz RBGNVPRJFKVLGZ-QGZVFWFLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579255721 1277051448 /nfs/dbraw/zinc/05/14/48/1277051448.db2.gz DEKJBHOYTYCEIU-KRWDZBQOSA-N 2 0 369.473 0.995 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579256375 1277052661 /nfs/dbraw/zinc/05/26/61/1277052661.db2.gz UUZOGMDIOLERTH-IAGOWNOFSA-N 2 0 369.473 0.994 20 0 FCADRP COc1cccc(C[C@@H]2CN(C(=O)C3(C4(O)C[NH2+]C4)CCC3)CC[NH2+]2)c1 ZINC001579274167 1277081745 /nfs/dbraw/zinc/08/17/45/1277081745.db2.gz HADLKLVRMLLWRE-MRXNPFEDSA-N 2 0 359.470 0.543 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579325151 1277142334 /nfs/dbraw/zinc/14/23/34/1277142334.db2.gz AVXKQBZDHYXWJN-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326259 1277148832 /nfs/dbraw/zinc/14/88/32/1277148832.db2.gz NTFSLPQSDNEQDN-IRXDYDNUSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326970 1277152583 /nfs/dbraw/zinc/15/25/83/1277152583.db2.gz NJHOPNUITNHSMT-ZBFHGGJFSA-N 2 0 369.473 0.757 20 0 FCADRP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001579327787 1277154293 /nfs/dbraw/zinc/15/42/93/1277154293.db2.gz XNAHEUTYNMFOIX-ZDUSSCGKSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579328664 1277156727 /nfs/dbraw/zinc/15/67/27/1277156727.db2.gz IWSJJHQFRXMYAI-JKSUJKDBSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579329577 1277157520 /nfs/dbraw/zinc/15/75/20/1277157520.db2.gz QFGIAWAGTPMGKU-MCIONIFRSA-N 2 0 368.445 0.108 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579329578 1277157535 /nfs/dbraw/zinc/15/75/35/1277157535.db2.gz QFGIAWAGTPMGKU-MELADBBJSA-N 2 0 368.445 0.108 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331626 1277163675 /nfs/dbraw/zinc/16/36/75/1277163675.db2.gz DGHWAZNWCGJCTP-NWDGAFQWSA-N 2 0 361.475 0.570 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579332301 1277165662 /nfs/dbraw/zinc/16/56/62/1277165662.db2.gz JLNGUORAAYUXPX-ARWYELJZSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335267 1277175792 /nfs/dbraw/zinc/17/57/92/1277175792.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339761 1277183497 /nfs/dbraw/zinc/18/34/97/1277183497.db2.gz LSDPHYKSIQTUEA-SRVKXCTJSA-N 2 0 361.475 0.617 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343914 1277194769 /nfs/dbraw/zinc/19/47/69/1277194769.db2.gz NHYKNCLATSRATB-WBMJQRKESA-N 2 0 370.461 0.332 20 0 FCADRP CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001579344250 1277194964 /nfs/dbraw/zinc/19/49/64/1277194964.db2.gz PNUXLFKMUCYWPL-ZFWWWQNUSA-N 2 0 356.492 0.497 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347263 1277201044 /nfs/dbraw/zinc/20/10/44/1277201044.db2.gz ZRBMNXFAUODZMJ-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP CN(CCNC(=O)CC1CC[NH+](C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579347277 1277202031 /nfs/dbraw/zinc/20/20/31/1277202031.db2.gz ZZIWBRFYHSKMTP-UHFFFAOYSA-N 2 0 358.450 0.546 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353090 1277209283 /nfs/dbraw/zinc/20/92/83/1277209283.db2.gz CVZXKLMHIKDKOJ-XJKSGUPXSA-N 2 0 373.436 0.791 20 0 FCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353358 1277211096 /nfs/dbraw/zinc/21/10/96/1277211096.db2.gz JUVRKMWAFFEXDQ-RDJZCZTQSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361245 1277236459 /nfs/dbraw/zinc/23/64/59/1277236459.db2.gz KRBDCPZMEVEZOK-CYBMUJFWSA-N 2 0 370.461 0.619 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362562 1277238856 /nfs/dbraw/zinc/23/88/56/1277238856.db2.gz SOTKTAVRVXGZDF-DZKIICNBSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361641 1277239647 /nfs/dbraw/zinc/23/96/47/1277239647.db2.gz PNKHLTOODXSULP-BZUAXINKSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362567 1277241432 /nfs/dbraw/zinc/24/14/32/1277241432.db2.gz SOTKTAVRVXGZDF-LZWOXQAQSA-N 2 0 373.436 0.837 20 0 FCADRP C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001579490252 1277402016 /nfs/dbraw/zinc/40/20/16/1277402016.db2.gz MFEPWBJTSDUODL-LSDHHAIUSA-N 2 0 352.483 0.158 20 0 FCADRP CC(C)OCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713743136 1287293694 /nfs/dbraw/zinc/29/36/94/1287293694.db2.gz XEUHSRCNXKTCMD-QZTJIDSGSA-N 2 0 354.539 0.828 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)cc2)C1 ZINC001580089151 1278003558 /nfs/dbraw/zinc/00/35/58/1278003558.db2.gz LWGZHQFQNSLICM-GQIGUUNPSA-N 2 0 372.469 0.701 20 0 FCADRP C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001714264104 1287318052 /nfs/dbraw/zinc/31/80/52/1287318052.db2.gz JDYVNKVYZKWOIB-IIAWOOMASA-N 2 0 363.510 0.830 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CCC[NH+](C)C ZINC001580270238 1278062047 /nfs/dbraw/zinc/06/20/47/1278062047.db2.gz MLNPHUFBCHVLNE-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580272965 1278066805 /nfs/dbraw/zinc/06/68/05/1278066805.db2.gz WGIZEWZJHWUDES-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001580280221 1278079426 /nfs/dbraw/zinc/07/94/26/1278079426.db2.gz AKLPXEXSCNVXHZ-XHSDSOJGSA-N 2 0 351.495 0.642 20 0 FCADRP [NH3+]CC[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC001580284568 1278087496 /nfs/dbraw/zinc/08/74/96/1278087496.db2.gz JQBIRSDCLBMGDR-SKDRFNHKSA-N 2 0 350.200 0.624 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941561 1279150152 /nfs/dbraw/zinc/15/01/52/1279150152.db2.gz RWAOUUHFHUFFHU-CYBMUJFWSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941436 1279150407 /nfs/dbraw/zinc/15/04/07/1279150407.db2.gz HPVWABRKDMGVNP-DZGCQCFKSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580944294 1279152446 /nfs/dbraw/zinc/15/24/46/1279152446.db2.gz RMMAEYDAHRBFGV-ZDUSSCGKSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580944293 1279153047 /nfs/dbraw/zinc/15/30/47/1279153047.db2.gz RMMAEYDAHRBFGV-CYBMUJFWSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962038 1279167341 /nfs/dbraw/zinc/16/73/41/1279167341.db2.gz NMGZZWOWHCVHHX-UONOGXRCSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580986820 1279182129 /nfs/dbraw/zinc/18/21/29/1279182129.db2.gz CWRBKYKRFPMUMU-CHWSQXEVSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992799 1279195933 /nfs/dbraw/zinc/19/59/33/1279195933.db2.gz AXLRLBOMJITDGO-JKSUJKDBSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993453 1279199527 /nfs/dbraw/zinc/19/95/27/1279199527.db2.gz IXLZMFYEPCWVOJ-INIZCTEOSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994249 1279201646 /nfs/dbraw/zinc/20/16/46/1279201646.db2.gz SVBOZECQFWFBEQ-BBRMVZONSA-N 2 0 372.477 0.496 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995019 1279203188 /nfs/dbraw/zinc/20/31/88/1279203188.db2.gz VVFQBCJXGPCYET-CYBMUJFWSA-N 2 0 360.466 0.593 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003848 1279220070 /nfs/dbraw/zinc/22/00/70/1279220070.db2.gz YFGHWIZEFOHSCV-ZUEPYMLJSA-N 2 0 370.461 0.488 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006295 1279225466 /nfs/dbraw/zinc/22/54/66/1279225466.db2.gz OMTBGTXTQKPVKU-SWLSCSKDSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009555 1279234674 /nfs/dbraw/zinc/23/46/74/1279234674.db2.gz YDMVYMABUCMZQH-ABAIWWIYSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010149 1279235335 /nfs/dbraw/zinc/23/53/35/1279235335.db2.gz GHSQIZISFOCLIF-DGCLKSJQSA-N 2 0 358.450 0.108 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010151 1279235907 /nfs/dbraw/zinc/23/59/07/1279235907.db2.gz GHSQIZISFOCLIF-YPMHNXCESA-N 2 0 358.450 0.108 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010179 1279236463 /nfs/dbraw/zinc/23/64/63/1279236463.db2.gz GPTVLGCDGNMQEW-GXTWGEPZSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010768 1279236876 /nfs/dbraw/zinc/23/68/76/1279236876.db2.gz VKVFKIDGXPXIKM-LBPRGKRZSA-N 2 0 360.466 0.496 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011963 1279238009 /nfs/dbraw/zinc/23/80/09/1279238009.db2.gz PYLCYERDIQSPNL-CZUORRHYSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013860 1279241259 /nfs/dbraw/zinc/24/12/59/1279241259.db2.gz YAJWDUFPQWDXFT-CYBMUJFWSA-N 2 0 360.466 0.593 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024972 1279256289 /nfs/dbraw/zinc/25/62/89/1279256289.db2.gz LXJKHKPWQHUOAW-BLLLJJGKSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024948 1279256624 /nfs/dbraw/zinc/25/66/24/1279256624.db2.gz LOPKIVIQTCSYGE-LBPRGKRZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024578 1279256727 /nfs/dbraw/zinc/25/67/27/1279256727.db2.gz JASLTBVXDOOOQC-WBMJQRKESA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026012 1279259235 /nfs/dbraw/zinc/25/92/35/1279259235.db2.gz ACYNUOAGUFVFKC-ZDUSSCGKSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031741 1279268916 /nfs/dbraw/zinc/26/89/16/1279268916.db2.gz DKTPFSUHMTWBEI-UONOGXRCSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581037556 1279273565 /nfs/dbraw/zinc/27/35/65/1279273565.db2.gz GZNMDFLURZJAEQ-OKILXGFUSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039211 1279276162 /nfs/dbraw/zinc/27/61/62/1279276162.db2.gz OIYPPGDTQAUDPP-HDJSIYSDSA-N 2 0 370.461 0.393 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001715227917 1287346946 /nfs/dbraw/zinc/34/69/46/1287346946.db2.gz GWKCZFCABQQEIP-GVDBMIGSSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603459665 1287378484 /nfs/dbraw/zinc/37/84/84/1287378484.db2.gz XJLAVDUJCNFQEZ-OLZOCXBDSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+]1CCC2 ZINC001603493449 1287390424 /nfs/dbraw/zinc/39/04/24/1287390424.db2.gz MYHFQEPHTPRTTK-ZDUSSCGKSA-N 2 0 370.461 0.619 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001603493079 1287390816 /nfs/dbraw/zinc/39/08/16/1287390816.db2.gz DFMHVYPBSGLPBV-YNEHKIRRSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603524965 1287403990 /nfs/dbraw/zinc/40/39/90/1287403990.db2.gz RVQMDZBSKUQYOV-CYBMUJFWSA-N 2 0 370.461 0.476 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1-c1nn[nH]n1)Cn1ccnc1 ZINC001603552072 1287420802 /nfs/dbraw/zinc/42/08/02/1287420802.db2.gz PJXWDJWMOWJOOH-UONOGXRCSA-N 2 0 357.418 0.729 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582097487 1281052447 /nfs/dbraw/zinc/05/24/47/1281052447.db2.gz IGRPXAHBVCHXBY-OAHLLOKOSA-N 2 0 369.473 0.901 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582097797 1281053874 /nfs/dbraw/zinc/05/38/74/1281053874.db2.gz OAURSWGLXQLWLU-HNNXBMFYSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100938 1281058447 /nfs/dbraw/zinc/05/84/47/1281058447.db2.gz WCKORGMCOAWZJG-OAHLLOKOSA-N 2 0 369.473 0.901 20 0 FCADRP O=C(NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C12CC[NH+](CC1)C2 ZINC001582362538 1281414612 /nfs/dbraw/zinc/41/46/12/1281414612.db2.gz HHRXNTXFAPAPCU-OAHLLOKOSA-N 2 0 368.445 0.086 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC001636505008 1282507558 /nfs/dbraw/zinc/50/75/58/1282507558.db2.gz YMBONJLAJPSIOL-UHFFFAOYSA-N 2 0 368.530 0.843 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001589676644 1282936107 /nfs/dbraw/zinc/93/61/07/1282936107.db2.gz MDLQAZQDIWWKCT-SREVYHEPSA-N 2 0 357.462 0.969 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589709183 1282951405 /nfs/dbraw/zinc/95/14/05/1282951405.db2.gz ZJFLFSSJIGOXIO-UHFFFAOYSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956971 1283146554 /nfs/dbraw/zinc/14/65/54/1283146554.db2.gz FBVSJYWQMSTBKJ-XJKSGUPXSA-N 2 0 358.446 0.846 20 0 FCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCC[NH+](C)C ZINC001590174852 1283279738 /nfs/dbraw/zinc/27/97/38/1283279738.db2.gz IFHKPCMGIFQPGG-DZGCQCFKSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590855678 1283929463 /nfs/dbraw/zinc/92/94/63/1283929463.db2.gz KEEXXPREALEWSZ-WFASDCNBSA-N 2 0 360.466 0.721 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175089 1284261111 /nfs/dbraw/zinc/26/11/11/1284261111.db2.gz GOOIBNLHWDDMRA-KZSQQDEKSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175692 1284265013 /nfs/dbraw/zinc/26/50/13/1284265013.db2.gz RNUJGYVZSFFZID-WIHSUSGWSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176264 1284271985 /nfs/dbraw/zinc/27/19/85/1284271985.db2.gz MLIHRNZFAUEQKO-YPQKKHBXSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178596 1284278462 /nfs/dbraw/zinc/27/84/62/1284278462.db2.gz WTDLGEKMXUTHAT-MGPQQGTHSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186574 1284297387 /nfs/dbraw/zinc/29/73/87/1284297387.db2.gz UGXGRTTYYGDDNT-HSWBROFVSA-N 2 0 370.461 0.642 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187349 1284298265 /nfs/dbraw/zinc/29/82/65/1284298265.db2.gz QJWBOJLVCLNTIU-YPQKKHBXSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187356 1284298602 /nfs/dbraw/zinc/29/86/02/1284298602.db2.gz QRBAMLPZLIMXFE-YWVDXFKGSA-N 2 0 361.475 0.784 20 0 FCADRP C[NH+](C)CC1(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001604680453 1287727279 /nfs/dbraw/zinc/72/72/79/1287727279.db2.gz OGMHSROXIUNCIF-UHFFFAOYSA-N 2 0 370.461 0.689 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604681387 1287729733 /nfs/dbraw/zinc/72/97/33/1287729733.db2.gz XFCLHWGHNZRBMP-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001591744138 1284872837 /nfs/dbraw/zinc/87/28/37/1284872837.db2.gz JPSJBHVJHLEUMP-FRFSOERESA-N 2 0 369.473 0.755 20 0 FCADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ncc1-c1nn[nH]n1 ZINC001591909573 1284998830 /nfs/dbraw/zinc/99/88/30/1284998830.db2.gz VGTDDEJTDFSIRQ-UHFFFAOYSA-N 2 0 374.493 0.916 20 0 FCADRP Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592042984 1285082385 /nfs/dbraw/zinc/08/23/85/1285082385.db2.gz TZPLXNNVFJQCNO-UHFFFAOYSA-N 2 0 372.477 0.201 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001719118710 1287776045 /nfs/dbraw/zinc/77/60/45/1287776045.db2.gz FFRVWZXTRPQTGG-BFYDXBDKSA-N 2 0 370.538 0.238 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001604849008 1287798656 /nfs/dbraw/zinc/79/86/56/1287798656.db2.gz MOFOWXYLSVTTLC-BPLDGKMQSA-N 2 0 373.436 0.694 20 0 FCADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001592865355 1285771473 /nfs/dbraw/zinc/77/14/73/1285771473.db2.gz YXCDRADDZCFLBE-UHFFFAOYSA-N 2 0 361.425 0.698 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC/C=C\C[NH3+] ZINC001609268029 1289031312 /nfs/dbraw/zinc/03/13/12/1289031312.db2.gz GCXGAGREBKPNOF-ARJAWSKDSA-N 2 0 358.450 0.455 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1([NH3+])CCC1 ZINC001609268147 1289031859 /nfs/dbraw/zinc/03/18/59/1289031859.db2.gz NMAZYBRSLQDPLY-UHFFFAOYSA-N 2 0 372.477 0.821 20 0 FCADRP O=C(NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593058680 1285954722 /nfs/dbraw/zinc/95/47/22/1285954722.db2.gz YHASWRWPSFRQFV-BGTMTDRBSA-N 2 0 368.445 0.110 20 0 FCADRP O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1C[NH+]2CCC1CC2 ZINC001593086448 1285986116 /nfs/dbraw/zinc/98/61/16/1285986116.db2.gz QWELLFLAQFCXBE-INIZCTEOSA-N 2 0 373.436 0.553 20 0 FCADRP O=C(NCC[NH2+]Cc1ccccc1-c1nn[nH]n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593089031 1285989074 /nfs/dbraw/zinc/98/90/74/1285989074.db2.gz QTTFCMQXXSPRPV-MRXNPFEDSA-N 2 0 355.446 0.414 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511760 1286188644 /nfs/dbraw/zinc/18/86/44/1286188644.db2.gz KTHNXBDSWGMJGS-AWEZNQCLSA-N 2 0 358.446 0.682 20 0 FCADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001593529724 1286193959 /nfs/dbraw/zinc/19/39/59/1286193959.db2.gz XVMZUYIKHWHIJY-CQSZACIVSA-N 2 0 371.449 0.236 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001707065979 1286435777 /nfs/dbraw/zinc/43/57/77/1286435777.db2.gz MSNPDECWTVWOOT-TXCZRRACSA-N 2 0 366.506 0.106 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@@H+]1C ZINC001707067064 1286437298 /nfs/dbraw/zinc/43/72/98/1286437298.db2.gz ZCHMAPVAJFVBQN-NQNKBUKLSA-N 2 0 366.506 0.106 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001707168106 1286488865 /nfs/dbraw/zinc/48/88/65/1286488865.db2.gz WUINRLRFNIFRML-AEFFLSMTSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001736042700 1289128878 /nfs/dbraw/zinc/12/88/78/1289128878.db2.gz RKFVAZDZIUIVCF-BZUAXINKSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC001605393791 1287949198 /nfs/dbraw/zinc/94/91/98/1287949198.db2.gz VJPBVAJYXYCZRH-ZDUSSCGKSA-N 2 0 357.462 0.897 20 0 FCADRP Cc1cc(N[C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605722636 1288061918 /nfs/dbraw/zinc/06/19/18/1288061918.db2.gz HANYIZOYHDHVKP-KGLIPLIRSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NC2CCN(C(=O)CCC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605725475 1288063017 /nfs/dbraw/zinc/06/30/17/1288063017.db2.gz YNWWLONCIOETLF-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721595980 1288354309 /nfs/dbraw/zinc/35/43/09/1288354309.db2.gz HTKILHAQDRPRJX-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP O=C(CCC[NH+]1CCCC1)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001606519186 1288359781 /nfs/dbraw/zinc/35/97/81/1288359781.db2.gz KXRAMWUTISVNSV-UHFFFAOYSA-N 2 0 358.450 0.478 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001723718444 1288427734 /nfs/dbraw/zinc/42/77/34/1288427734.db2.gz JHZFXBCOIHUYGL-GPMSIDNRSA-N 2 0 350.507 0.729 20 0 FCADRP O[C@H](C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)C[NH+]1CCCC1 ZINC001607094022 1288657799 /nfs/dbraw/zinc/65/77/99/1288657799.db2.gz ISDUFNRJXJWIFT-GOSISDBHSA-N 2 0 371.489 0.882 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001735719501 1288795634 /nfs/dbraw/zinc/79/56/34/1288795634.db2.gz QNPXYSBIOKSVCG-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609112160 1288925990 /nfs/dbraw/zinc/92/59/90/1288925990.db2.gz UUXNDPPRNMPKNI-AWEZNQCLSA-N 2 0 372.477 0.679 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001735883059 1288987228 /nfs/dbraw/zinc/98/72/28/1288987228.db2.gz LXQNRXUOKGGMJR-INMHGKMJSA-N 2 0 356.511 0.256 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001691935929 1289347492 /nfs/dbraw/zinc/34/74/92/1289347492.db2.gz QTGVZVZWECPLLB-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC001691948052 1289349360 /nfs/dbraw/zinc/34/93/60/1289349360.db2.gz PXCMNGUWHLPVJH-RRFJBIMHSA-N 2 0 363.462 0.748 20 0 FCADRP CCO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001692052979 1289376757 /nfs/dbraw/zinc/37/67/57/1289376757.db2.gz RFYSEMCWNIAXHR-IXDOHACOSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001692082498 1289387823 /nfs/dbraw/zinc/38/78/23/1289387823.db2.gz BVJGQPHYZZZJKW-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001698998620 1289542056 /nfs/dbraw/zinc/54/20/56/1289542056.db2.gz FXUQUYQWCWFIMY-QRVBRYPASA-N 2 0 363.502 0.729 20 0 FCADRP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309309 1289551803 /nfs/dbraw/zinc/55/18/03/1289551803.db2.gz XRERHVOSVVQMMO-SZXSIIMHSA-N 2 0 358.486 0.858 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001700195817 1289586358 /nfs/dbraw/zinc/58/63/58/1289586358.db2.gz JRGCOYJFROCDER-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615851944 1289763186 /nfs/dbraw/zinc/76/31/86/1289763186.db2.gz ZJBFZQODYAQMCM-YJBOKZPZSA-N 2 0 350.511 0.999 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC001616471683 1289780123 /nfs/dbraw/zinc/78/01/23/1289780123.db2.gz OIZOEKZACJJXPC-UHFFFAOYSA-N 2 0 361.490 0.769 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001702313722 1290017689 /nfs/dbraw/zinc/01/76/89/1290017689.db2.gz WGBLHEQYXFDMPB-HZPDHXFCSA-N 2 0 366.506 0.297 20 0 FCADRP CCC(=O)N1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001620970280 1290023824 /nfs/dbraw/zinc/02/38/24/1290023824.db2.gz HQPDWPRFWYYUCC-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001702361565 1290130594 /nfs/dbraw/zinc/13/05/94/1290130594.db2.gz WHPXEOFLRCLUKG-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CCOCC(F)F)CC2)CC[N@@H+]1C ZINC001755154285 1290640436 /nfs/dbraw/zinc/64/04/36/1290640436.db2.gz JSSPJMPDQCJRKK-ZIAGYGMSSA-N 2 0 363.449 0.551 20 0 FCADRP COc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001656358095 1291514685 /nfs/dbraw/zinc/51/46/85/1291514685.db2.gz JRJJNUNLSGOONN-CQSZACIVSA-N 2 0 350.463 0.285 20 0 FCADRP CCNC(=O)NC(=O)CN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001660775564 1291671917 /nfs/dbraw/zinc/67/19/17/1291671917.db2.gz ANGGFQHBPCIPRQ-UKRRQHHQSA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@@H+]1C ZINC001661427151 1291693955 /nfs/dbraw/zinc/69/39/55/1291693955.db2.gz RFRZUQKUEAYDHU-BASLNEPJSA-N 2 0 362.518 0.868 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001672368769 1292078753 /nfs/dbraw/zinc/07/87/53/1292078753.db2.gz HJHLXKACQGPZBL-DUQPFJRNSA-N 2 0 355.523 0.846 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001688105319 1293041493 /nfs/dbraw/zinc/04/14/93/1293041493.db2.gz IJMYZLDDGQRHDK-JLOCXQCDSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001688273371 1294478193 /nfs/dbraw/zinc/47/81/93/1294478193.db2.gz XBAXFXDLSZFVDE-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2[NH2+]CCCO)cn1 ZINC001689032050 1294577067 /nfs/dbraw/zinc/57/70/67/1294577067.db2.gz KZDXNUHOPMLXHG-DLBZAZTESA-N 2 0 361.490 0.315 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001689034027 1294579210 /nfs/dbraw/zinc/57/92/10/1294579210.db2.gz IEMYIRQGKGLNIU-RYQLBKOJSA-N 2 0 363.506 0.682 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689239552 1294701704 /nfs/dbraw/zinc/70/17/04/1294701704.db2.gz RLPBHNBVEUMQSX-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001689338243 1294759920 /nfs/dbraw/zinc/75/99/20/1294759920.db2.gz KWIIJWNKGWTLKB-SQNIBIBYSA-N 2 0 363.506 0.699 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001690469788 1294866996 /nfs/dbraw/zinc/86/69/96/1294866996.db2.gz BSEATOLLYCMNDU-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCn2c(C)csc2=O)CC[N@@H+]1C ZINC001690943530 1294893668 /nfs/dbraw/zinc/89/36/68/1294893668.db2.gz JCPGXZJWSAZWRG-LSDHHAIUSA-N 2 0 354.520 0.997 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001691659527 1294906707 /nfs/dbraw/zinc/90/67/07/1294906707.db2.gz MFYXKVRSUSDTOC-ARFHVFGLSA-N 2 0 351.495 0.228 20 0 FCADRP C[NH+]1CCN(c2cccc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)n2)CC1 ZINC001164423540 718915540 /nfs/dbraw/zinc/91/55/40/718915540.db2.gz INLRTYAKNHDDOT-LJQANCHMSA-N 2 0 361.490 0.419 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001164728440 720507352 /nfs/dbraw/zinc/50/73/52/720507352.db2.gz FTVGUUUGHTYOAQ-MRXNPFEDSA-N 2 0 370.505 0.623 20 0 FCADRP c1ncc(O[C@@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@@H+]3C2)cn1 ZINC001164740903 720806965 /nfs/dbraw/zinc/80/69/65/720806965.db2.gz AWIGVWWUTGURBK-HUUCEWRRSA-N 2 0 353.430 0.295 20 0 FCADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164867997 721064400 /nfs/dbraw/zinc/06/44/00/721064400.db2.gz LVFWTQQJFGJZOC-SJORKVTESA-N 2 0 366.469 0.997 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275522 837642428 /nfs/dbraw/zinc/64/24/28/837642428.db2.gz QKJLMNRXNQCYPG-JKIFEVAISA-N 2 0 352.458 0.852 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)CC1 ZINC001099327993 844026557 /nfs/dbraw/zinc/02/65/57/844026557.db2.gz OTNLMWGAAYZDRS-CHWSQXEVSA-N 2 0 353.385 0.068 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F)C(N)=O ZINC001099332492 844028928 /nfs/dbraw/zinc/02/89/28/844028928.db2.gz CPGMGEAENZFOEM-IJLUTSLNSA-N 2 0 362.396 0.325 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101240661 844116491 /nfs/dbraw/zinc/11/64/91/844116491.db2.gz DEFRVTKRSSOMLD-LMMKCTJWSA-N 2 0 351.491 0.117 20 0 FCADRP CN(C)S(=O)(=O)CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397667937 836065752 /nfs/dbraw/zinc/06/57/52/836065752.db2.gz GQNKQAZLCWULSI-UHFFFAOYSA-N 2 0 355.504 0.495 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257846 844122884 /nfs/dbraw/zinc/12/28/84/844122884.db2.gz PDXUTTPNGMGBNS-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266414 844126077 /nfs/dbraw/zinc/12/60/77/844126077.db2.gz ASUROAJFETVRFX-QAPCUYQASA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266813 844126829 /nfs/dbraw/zinc/12/68/29/844126829.db2.gz WRYDZBZVXLLCJX-QAPCUYQASA-N 2 0 350.507 0.776 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000745824651 836154285 /nfs/dbraw/zinc/15/42/85/836154285.db2.gz KPISLESVCLWNHH-KRWDZBQOSA-N 2 0 356.511 0.897 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342982 844152420 /nfs/dbraw/zinc/15/24/20/844152420.db2.gz XLEOVIGDTISVJO-QAPCUYQASA-N 2 0 350.507 0.635 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345220 844152890 /nfs/dbraw/zinc/15/28/90/844152890.db2.gz ZOPPPIHTNWSJCU-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101352855 844155868 /nfs/dbraw/zinc/15/58/68/844155868.db2.gz MMYBUFSUGCAWRX-OGWOLHLISA-N 2 0 350.507 0.633 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101353231 844156130 /nfs/dbraw/zinc/15/61/30/844156130.db2.gz WSGVUUSTLBPBQY-SUMDDJOVSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400313 844174793 /nfs/dbraw/zinc/17/47/93/844174793.db2.gz QKYSQPMPJPWGHD-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101417507 844179216 /nfs/dbraw/zinc/17/92/16/844179216.db2.gz QNAJHURPGXFGTB-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061741512 836712751 /nfs/dbraw/zinc/71/27/51/836712751.db2.gz SSUZNNWOGDQYRF-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063221710 836757649 /nfs/dbraw/zinc/75/76/49/836757649.db2.gz IDGPJNLYUGNXCK-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001063227590 836758761 /nfs/dbraw/zinc/75/87/61/836758761.db2.gz WMACAGJGAPAVLN-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474278 844199191 /nfs/dbraw/zinc/19/91/91/844199191.db2.gz QVIDWPQOUIRMSC-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065540403 836843749 /nfs/dbraw/zinc/84/37/49/836843749.db2.gz QUPFVWMYFRTZDA-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815818 844279087 /nfs/dbraw/zinc/27/90/87/844279087.db2.gz UTHHDCTZWAZAAM-OAGGEKHMSA-N 2 0 353.511 0.472 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568164 838017925 /nfs/dbraw/zinc/01/79/25/838017925.db2.gz XQECHXCASCAWDT-GVDBMIGSSA-N 2 0 369.531 0.296 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999332 838205382 /nfs/dbraw/zinc/20/53/82/838205382.db2.gz NNASSQDASJTWRK-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3scnc3C)C[C@H]2O)CC[N@@H+]1C ZINC001077027484 838226321 /nfs/dbraw/zinc/22/63/21/838226321.db2.gz KXMKYBHLZYCOQM-ZJIFWQFVSA-N 2 0 366.531 0.886 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974628 844356374 /nfs/dbraw/zinc/35/63/74/844356374.db2.gz JJMROGBJKZQLOM-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976275 844357900 /nfs/dbraw/zinc/35/79/00/844357900.db2.gz UHYADZJKCOWFHK-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128161 838751987 /nfs/dbraw/zinc/75/19/87/838751987.db2.gz ZNRHKHBQDYSMEG-KBAYOESNSA-N 2 0 353.507 0.695 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102015724 844374302 /nfs/dbraw/zinc/37/43/02/844374302.db2.gz PEAREZUQABNRJQ-IIAWOOMASA-N 2 0 356.486 0.629 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047534 844393984 /nfs/dbraw/zinc/39/39/84/844393984.db2.gz KOEZLLSZXVAAEA-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048723 844395556 /nfs/dbraw/zinc/39/55/56/844395556.db2.gz MQSXVFQSJUNAQE-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077618405 839072594 /nfs/dbraw/zinc/07/25/94/839072594.db2.gz HPMHYTUBHQFIBV-FGTMMUONSA-N 2 0 353.507 0.431 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001077685362 839113092 /nfs/dbraw/zinc/11/30/92/839113092.db2.gz MQNVEGHIHHEJRS-BHUNQDJPSA-N 2 0 353.507 0.695 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104366 844416117 /nfs/dbraw/zinc/41/61/17/844416117.db2.gz RTMURUXHOQUVQN-MGPQQGTHSA-N 2 0 352.479 0.206 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104365 844416744 /nfs/dbraw/zinc/41/67/44/844416744.db2.gz RTMURUXHOQUVQN-MCIONIFRSA-N 2 0 352.479 0.206 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001078012243 839292166 /nfs/dbraw/zinc/29/21/66/839292166.db2.gz YPWNVNRMYVPNMI-BRWVUGGUSA-N 2 0 351.491 0.449 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114734 844420867 /nfs/dbraw/zinc/42/08/67/844420867.db2.gz ALCWFVRHVZJTNU-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191376 844439936 /nfs/dbraw/zinc/43/99/36/844439936.db2.gz YCTSUBDCEKKENT-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667403 839773744 /nfs/dbraw/zinc/77/37/44/839773744.db2.gz BYHITEYVVAWOBW-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368328 844478068 /nfs/dbraw/zinc/47/80/68/844478068.db2.gz PPYMJZKGBHKLNF-OWCLPIDISA-N 2 0 351.495 0.180 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369966 844478159 /nfs/dbraw/zinc/47/81/59/844478159.db2.gz MLCJTLPRRKMSGW-GVDBMIGSSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370106 844478369 /nfs/dbraw/zinc/47/83/69/844478369.db2.gz REKIWFVPYKUQNH-BZUAXINKSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369752 844478399 /nfs/dbraw/zinc/47/83/99/844478399.db2.gz GDEHYSJDMGRGDQ-ARFHVFGLSA-N 2 0 359.536 0.447 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102376939 844480237 /nfs/dbraw/zinc/48/02/37/844480237.db2.gz FJBOJTUHCKTXDB-OAGGEKHMSA-N 2 0 356.511 0.163 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686526 839999487 /nfs/dbraw/zinc/99/94/87/839999487.db2.gz YQCIKKGATCWSNO-FVQBIDKESA-N 2 0 355.458 0.622 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095875 840183429 /nfs/dbraw/zinc/18/34/29/840183429.db2.gz MVRNUAZRCBQBJW-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102473966 844516007 /nfs/dbraw/zinc/51/60/07/844516007.db2.gz YNIFGGAJTFFGQX-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480409 844519391 /nfs/dbraw/zinc/51/93/91/844519391.db2.gz PCGNQFPPJHVVIS-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480167 844519526 /nfs/dbraw/zinc/51/95/26/844519526.db2.gz ARELATMKVWDXPX-IAGOWNOFSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102497414 844530958 /nfs/dbraw/zinc/53/09/58/844530958.db2.gz RWFLJFUPRUTNPK-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2OC)o1 ZINC001082392695 840385406 /nfs/dbraw/zinc/38/54/06/840385406.db2.gz VJDZIEQCPKARNO-NVXWUHKLSA-N 2 0 353.463 0.933 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082557447 840463830 /nfs/dbraw/zinc/46/38/30/840463830.db2.gz FHWMUZQGOQDIMZ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511307 844541997 /nfs/dbraw/zinc/54/19/97/844541997.db2.gz RMQFIFMSRWHTIR-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511104 844542165 /nfs/dbraw/zinc/54/21/65/844542165.db2.gz JMEDKYNCNYHPBM-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082596430 840481220 /nfs/dbraw/zinc/48/12/20/840481220.db2.gz LDCKTTKIHNDIJK-RBSFLKMASA-N 2 0 350.463 0.056 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082612613 840493321 /nfs/dbraw/zinc/49/33/21/840493321.db2.gz WTDUKCPCDPUCBZ-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513242 844544990 /nfs/dbraw/zinc/54/49/90/844544990.db2.gz BCCIUXADGQSQND-HZPDHXFCSA-N 2 0 356.511 0.021 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515467 844546615 /nfs/dbraw/zinc/54/66/15/844546615.db2.gz VAWJXTLSQZRFQQ-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccns1 ZINC001082653619 840513171 /nfs/dbraw/zinc/51/31/71/840513171.db2.gz UGOZFGBBTJNFMZ-YRWBVFEESA-N 2 0 362.499 0.943 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082681577 840521864 /nfs/dbraw/zinc/52/18/64/840521864.db2.gz CCTRGLLKNAYPBA-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102525835 844553617 /nfs/dbraw/zinc/55/36/17/844553617.db2.gz XPTZDEMVFFDCKI-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082920875 840602470 /nfs/dbraw/zinc/60/24/70/840602470.db2.gz JRDJXDNIBIQPJM-VNHYZAJKSA-N 2 0 369.487 0.571 20 0 FCADRP CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)C1=O ZINC001102579082 844572618 /nfs/dbraw/zinc/57/26/18/844572618.db2.gz HMFAINUVKDJXJV-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579727 844574394 /nfs/dbraw/zinc/57/43/94/844574394.db2.gz MNDAFTCGMYREAA-BRWVUGGUSA-N 2 0 371.547 0.591 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102580024 844574722 /nfs/dbraw/zinc/57/47/22/844574722.db2.gz BJIPCIJHQHSXTQ-HZPDHXFCSA-N 2 0 353.511 0.474 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579921 844575263 /nfs/dbraw/zinc/57/52/63/844575263.db2.gz XEUWJUMMSZLYHI-BRWVUGGUSA-N 2 0 371.547 0.591 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083213831 840801545 /nfs/dbraw/zinc/80/15/45/840801545.db2.gz UQXXIGZNQMPRPC-OKZBNKHCSA-N 2 0 351.491 0.666 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083274903 840856760 /nfs/dbraw/zinc/85/67/60/840856760.db2.gz FXIQLZGTQOXFQO-FGTMMUONSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602031 841221749 /nfs/dbraw/zinc/22/17/49/841221749.db2.gz AHXTUYIMQWBERU-ZACQAIPSSA-N 2 0 351.491 0.593 20 0 FCADRP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275799741 861196084 /nfs/dbraw/zinc/19/60/84/861196084.db2.gz MZBLUNZGFIRFCS-AWEZNQCLSA-N 2 0 350.488 0.552 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083749591 841392073 /nfs/dbraw/zinc/39/20/73/841392073.db2.gz HPMHYTUBHQFIBV-SQNIBIBYSA-N 2 0 353.507 0.431 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782792 841432234 /nfs/dbraw/zinc/43/22/34/841432234.db2.gz LZILYPAUQDNKRZ-IKGGRYGDSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083908459 841555296 /nfs/dbraw/zinc/55/52/96/841555296.db2.gz FGNSHTLYRZVOJY-NXHRZFHOSA-N 2 0 353.507 0.695 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954434 841601791 /nfs/dbraw/zinc/60/17/91/841601791.db2.gz ZMEHNDNPHRMDJP-ZNMIVQPWSA-N 2 0 352.504 0.497 20 0 FCADRP COC(CN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881238 861246550 /nfs/dbraw/zinc/24/65/50/861246550.db2.gz YIUZQTQWIJMQJO-YJBOKZPZSA-N 2 0 355.479 0.250 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1)[NH+](C)C ZINC001084964767 841973168 /nfs/dbraw/zinc/97/31/68/841973168.db2.gz PLFDDYDPPWXOBM-RYRKJORJSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001085202201 842043521 /nfs/dbraw/zinc/04/35/21/842043521.db2.gz RUVWXGGGGJNXGE-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)CC1 ZINC001085202670 842044217 /nfs/dbraw/zinc/04/42/17/842044217.db2.gz QKCYCXOVUUAJDZ-TVFCKZIOSA-N 2 0 353.507 0.743 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001085421987 842097259 /nfs/dbraw/zinc/09/72/59/842097259.db2.gz DFNLQNVBQVUWOW-BRWVUGGUSA-N 2 0 371.547 0.780 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090995 842119202 /nfs/dbraw/zinc/11/92/02/842119202.db2.gz CBQDLOPGCKXGPF-ZOFXXKQRSA-N 2 0 371.547 0.636 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001086793736 842174730 /nfs/dbraw/zinc/17/47/30/842174730.db2.gz JIAUJWATWCWFOU-CFVMTHIKSA-N 2 0 350.463 0.008 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001086793929 842174740 /nfs/dbraw/zinc/17/47/40/842174740.db2.gz TXVJGCRWXCWZTJ-GOEBONIOSA-N 2 0 351.495 0.228 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC001086925317 842192947 /nfs/dbraw/zinc/19/29/47/842192947.db2.gz SSBXXZFADITKJL-HRCADAONSA-N 2 0 350.507 0.905 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087035094 842232067 /nfs/dbraw/zinc/23/20/67/842232067.db2.gz LFQYXHDWJMIHAY-HZSPNIEDSA-N 2 0 353.492 0.585 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087059595 842255373 /nfs/dbraw/zinc/25/53/73/842255373.db2.gz LQLWNTUKYKBKMD-FVQBIDKESA-N 2 0 351.451 0.363 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087062531 842259707 /nfs/dbraw/zinc/25/97/07/842259707.db2.gz KKZWSVIDZLMOHA-DJIMGWMZSA-N 2 0 351.495 0.713 20 0 FCADRP Cc1nn(C)c(Cl)c1CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276015772 861290275 /nfs/dbraw/zinc/29/02/75/861290275.db2.gz IQFHAZLLHMWXTM-QGZVFWFLSA-N 2 0 369.897 0.747 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087079268 842273686 /nfs/dbraw/zinc/27/36/86/842273686.db2.gz HIANYECEYIVIHO-KBAYOESNSA-N 2 0 353.507 0.818 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087084547 842277799 /nfs/dbraw/zinc/27/77/99/842277799.db2.gz HXKSGZJKTHQHIL-HZSPNIEDSA-N 2 0 355.508 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087084635 842278331 /nfs/dbraw/zinc/27/83/31/842278331.db2.gz LXINBLFTQVQYIN-HYVNUMGLSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087096715 842286179 /nfs/dbraw/zinc/28/61/79/842286179.db2.gz YYQSTFSBEQAKAW-RBSFLKMASA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087097131 842286534 /nfs/dbraw/zinc/28/65/34/842286534.db2.gz XYYIXLQMJDCQHQ-BRWVUGGUSA-N 2 0 351.491 0.572 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087100946 842289777 /nfs/dbraw/zinc/28/97/77/842289777.db2.gz MDYWBTDUMVHAGT-RRFJBIMHSA-N 2 0 350.467 0.018 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087101100 842290114 /nfs/dbraw/zinc/29/01/14/842290114.db2.gz SSUJODIKQTXRLM-RRFJBIMHSA-N 2 0 367.519 0.751 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001087101450 842291243 /nfs/dbraw/zinc/29/12/43/842291243.db2.gz LRGSPGLBEBKRRN-KBAYOESNSA-N 2 0 353.507 0.818 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCN1CCCC1=O ZINC001087726671 842416868 /nfs/dbraw/zinc/41/68/68/842416868.db2.gz NYDXRVAXNGKPOS-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993116 842494460 /nfs/dbraw/zinc/49/44/60/842494460.db2.gz AAPCJKRRYWQLKS-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999327 842495708 /nfs/dbraw/zinc/49/57/08/842495708.db2.gz GCJUGUILFSTPMJ-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088010672 842500445 /nfs/dbraw/zinc/50/04/45/842500445.db2.gz FLGITADSEYFIIB-HLLBOEOZSA-N 2 0 350.507 0.728 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211731 842562773 /nfs/dbraw/zinc/56/27/73/842562773.db2.gz XENCITOONUVSCU-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731753 843083022 /nfs/dbraw/zinc/08/30/22/843083022.db2.gz VKZZNMSKUIKVBU-FCEWJHQRSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091734968 843086353 /nfs/dbraw/zinc/08/63/53/843086353.db2.gz DHLDGSKZNQPZKA-RKVPGOIHSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741005 843086549 /nfs/dbraw/zinc/08/65/49/843086549.db2.gz VYZJIJRQFBAQJB-CLCXKQKWSA-N 2 0 350.507 0.728 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071136 843153020 /nfs/dbraw/zinc/15/30/20/843153020.db2.gz IAUACVNYZILJFB-GMBSWORKSA-N 2 0 350.507 0.633 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071471 843153160 /nfs/dbraw/zinc/15/31/60/843153160.db2.gz XOUWZMZIORAIRS-GJYPPUQNSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071137 843153589 /nfs/dbraw/zinc/15/35/89/843153589.db2.gz IAUACVNYZILJFB-OGWOLHLISA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001092302922 843182440 /nfs/dbraw/zinc/18/24/40/843182440.db2.gz GJXWJGSUORSZBB-SUMDDJOVSA-N 2 0 350.507 0.763 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001092302921 843182762 /nfs/dbraw/zinc/18/27/62/843182762.db2.gz GJXWJGSUORSZBB-AYBZRNKSSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001092621226 843255589 /nfs/dbraw/zinc/25/55/89/843255589.db2.gz WAPJEEIVEVXDRK-KLHDSHLOSA-N 2 0 351.495 0.036 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093280274 843420172 /nfs/dbraw/zinc/42/01/72/843420172.db2.gz MRYJNRFULMOQEL-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001093292274 843421689 /nfs/dbraw/zinc/42/16/89/843421689.db2.gz UNIBSTXJEQBHMW-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448544 843434178 /nfs/dbraw/zinc/43/41/78/843434178.db2.gz APTYFTYUJSDOIO-YFHUEUNASA-N 2 0 353.507 0.429 20 0 FCADRP CC(C)[C@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093474679 843441113 /nfs/dbraw/zinc/44/11/13/843441113.db2.gz UBYCFNCBPNKMHN-NNFUDEMPSA-N 2 0 351.491 0.041 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093803822 843471002 /nfs/dbraw/zinc/47/10/02/843471002.db2.gz QEZAKDFFJMIUOG-YUELXQCFSA-N 2 0 364.515 0.996 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001094012073 843505189 /nfs/dbraw/zinc/50/51/89/843505189.db2.gz DQGFTKNTKBGAIM-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094219237 843530749 /nfs/dbraw/zinc/53/07/49/843530749.db2.gz GPBNKLPSTGHGOQ-DJIMGWMZSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094219976 843532638 /nfs/dbraw/zinc/53/26/38/843532638.db2.gz YYTURLARWMQSCW-RBSFLKMASA-N 2 0 352.458 0.383 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094220943 843532756 /nfs/dbraw/zinc/53/27/56/843532756.db2.gz GFNAQLZHAMMWOY-OWCLPIDISA-N 2 0 357.520 0.201 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCOC)CC2 ZINC001276357042 861427507 /nfs/dbraw/zinc/42/75/07/861427507.db2.gz IMSAWPYCGSAIQM-OAHLLOKOSA-N 2 0 355.479 0.298 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC(C)C)C3)C2)CC[N@@H+]1C ZINC001094740256 843697164 /nfs/dbraw/zinc/69/71/64/843697164.db2.gz NAXGQSXJCSRPKG-BHYGNILZSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099028094 843956809 /nfs/dbraw/zinc/95/68/09/843956809.db2.gz RYXFRWGMWXMVLE-KHYOSLBOSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099261105 843994715 /nfs/dbraw/zinc/99/47/15/843994715.db2.gz KOFBSNYZORARNL-BFHYXJOUSA-N 2 0 351.413 0.936 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099263781 843995590 /nfs/dbraw/zinc/99/55/90/843995590.db2.gz YDWFEXGTWLEAQR-IJLUTSLNSA-N 2 0 364.412 0.714 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780999 844646403 /nfs/dbraw/zinc/64/64/03/844646403.db2.gz ZEAOWXUVLSHMCJ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)CC[NH+]1C ZINC001103004973 844683598 /nfs/dbraw/zinc/68/35/98/844683598.db2.gz INRSTIVJTGARCS-KCYZZUKISA-N 2 0 350.507 0.679 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103049739 844689293 /nfs/dbraw/zinc/68/92/93/844689293.db2.gz CESPZXKXZHQUPC-ZACQAIPSSA-N 2 0 361.502 0.749 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103136457 844705406 /nfs/dbraw/zinc/70/54/06/844705406.db2.gz DJUVPDMCNVPBGF-OWCLPIDISA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148149 844707645 /nfs/dbraw/zinc/70/76/45/844707645.db2.gz PWSRRVUQNGOOCW-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174724 844716411 /nfs/dbraw/zinc/71/64/11/844716411.db2.gz ZNDXKJIKPZGPPE-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374609 844744267 /nfs/dbraw/zinc/74/42/67/844744267.db2.gz KZIKWUQKCZGEAQ-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001103398471 844750934 /nfs/dbraw/zinc/75/09/34/844750934.db2.gz UJQDWOOUOUNAKD-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001103520232 844772584 /nfs/dbraw/zinc/77/25/84/844772584.db2.gz JQBWABNZRNHBTM-HZPDHXFCSA-N 2 0 351.495 0.515 20 0 FCADRP Cc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103642128 844793768 /nfs/dbraw/zinc/79/37/68/844793768.db2.gz RLKLPDWZFJVVGJ-UKRRQHHQSA-N 2 0 353.467 0.530 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001103681383 844799269 /nfs/dbraw/zinc/79/92/69/844799269.db2.gz DXESJMPQXFKOFG-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719104 844807120 /nfs/dbraw/zinc/80/71/20/844807120.db2.gz QRLYBFZUDGZCJY-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719105 844807851 /nfs/dbraw/zinc/80/78/51/844807851.db2.gz QRLYBFZUDGZCJY-ZACQAIPSSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104290567 844891103 /nfs/dbraw/zinc/89/11/03/844891103.db2.gz CPKGJRMFDUARKY-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001104322464 844894163 /nfs/dbraw/zinc/89/41/63/844894163.db2.gz LOVCXRRFXPQHIT-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001104322517 844894176 /nfs/dbraw/zinc/89/41/76/844894176.db2.gz OMOKIRXVNLYGPD-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595473 844923641 /nfs/dbraw/zinc/92/36/41/844923641.db2.gz TWLRSQRMDREOEX-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001104639764 844927568 /nfs/dbraw/zinc/92/75/68/844927568.db2.gz VFXGYRLEFSLVQY-IIAWOOMASA-N 2 0 351.499 0.371 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001104639224 844927894 /nfs/dbraw/zinc/92/78/94/844927894.db2.gz LOVCXRRFXPQHIT-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)CS(C)(=O)=O ZINC001104625241 844928044 /nfs/dbraw/zinc/92/80/44/844928044.db2.gz BFIVJANBDQWWFG-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680014 844932796 /nfs/dbraw/zinc/93/27/96/844932796.db2.gz OAVPIXKSVWRDAX-GVDBMIGSSA-N 2 0 352.523 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001104809182 844946425 /nfs/dbraw/zinc/94/64/25/844946425.db2.gz AHVPRZUVNDVCGZ-QLFBSQMISA-N 2 0 351.499 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104908270 844958451 /nfs/dbraw/zinc/95/84/51/844958451.db2.gz PKGVXDOVQPVWTJ-ZIAGYGMSSA-N 2 0 355.508 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104908039 844958470 /nfs/dbraw/zinc/95/84/70/844958470.db2.gz GEHXCLVLOYWHSG-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ccnn1C ZINC001104908282 844958575 /nfs/dbraw/zinc/95/85/75/844958575.db2.gz QARMFCWVNHXUQH-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104932688 844960739 /nfs/dbraw/zinc/96/07/39/844960739.db2.gz HODQHNLFEBAULS-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001105007586 844968305 /nfs/dbraw/zinc/96/83/05/844968305.db2.gz CBCZEODJVIPMER-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001105008092 844968898 /nfs/dbraw/zinc/96/88/98/844968898.db2.gz PLTJPANGFWKNAC-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105066725 844976975 /nfs/dbraw/zinc/97/69/75/844976975.db2.gz CTMVBSYGKYEDCB-NUJGCVRESA-N 2 0 352.523 0.927 20 0 FCADRP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105657959 845010323 /nfs/dbraw/zinc/01/03/23/845010323.db2.gz BPTAZMNAZOMMNW-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105945031 845063166 /nfs/dbraw/zinc/06/31/66/845063166.db2.gz IPIBDPKCIDVWGH-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C)C1CC1 ZINC001105944870 845064110 /nfs/dbraw/zinc/06/41/10/845064110.db2.gz BXBNTFYFLALWBC-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001105945221 845064871 /nfs/dbraw/zinc/06/48/71/845064871.db2.gz PNUNTCWKXBWFNI-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106134292 845110846 /nfs/dbraw/zinc/11/08/46/845110846.db2.gz YMHQPCMHODKAFM-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106244343 845142041 /nfs/dbraw/zinc/14/20/41/845142041.db2.gz KMXBSTNWYGCZJF-HUUCEWRRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106249558 845143212 /nfs/dbraw/zinc/14/32/12/845143212.db2.gz KVHKOJHPYFTBAU-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249445 845143262 /nfs/dbraw/zinc/14/32/62/845143262.db2.gz HYVKAUDICAHXAY-QGPMSJSTSA-N 2 0 352.523 0.783 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1)[NH+](C)C ZINC001106312575 845153166 /nfs/dbraw/zinc/15/31/66/845153166.db2.gz IZRKSBCTGYSVQR-BZUAXINKSA-N 2 0 355.527 0.718 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106322650 845154107 /nfs/dbraw/zinc/15/41/07/845154107.db2.gz PIFIXHBVCFRCET-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357524 845163139 /nfs/dbraw/zinc/16/31/39/845163139.db2.gz CDKVGYUYHPAESS-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106582236 845200676 /nfs/dbraw/zinc/20/06/76/845200676.db2.gz XKIKDENUSSOHSF-LTIDMASMSA-N 2 0 350.507 0.633 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599971 845202961 /nfs/dbraw/zinc/20/29/61/845202961.db2.gz RGYWCUJMNLNLQT-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106621263 845206823 /nfs/dbraw/zinc/20/68/23/845206823.db2.gz ARNJXHKVWNDKOS-IIAWOOMASA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001106622625 845207487 /nfs/dbraw/zinc/20/74/87/845207487.db2.gz ICJCWEQELLGSGV-GVDBMIGSSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001106626945 845208669 /nfs/dbraw/zinc/20/86/69/845208669.db2.gz OUIOAMQGJHXLEY-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1)[NH+](C)C ZINC001106673620 845222797 /nfs/dbraw/zinc/22/27/97/845222797.db2.gz IZRKSBCTGYSVQR-OAGGEKHMSA-N 2 0 355.527 0.718 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106730672 845236310 /nfs/dbraw/zinc/23/63/10/845236310.db2.gz KJPIEESEKQALRD-BFYDXBDKSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106783333 845251859 /nfs/dbraw/zinc/25/18/59/845251859.db2.gz MTTPVEYTHMZWSH-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106782907 845252472 /nfs/dbraw/zinc/25/24/72/845252472.db2.gz BTIDGXQGRBWBEK-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825142 845262914 /nfs/dbraw/zinc/26/29/14/845262914.db2.gz BORHKTCAEYTQSF-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)CC1 ZINC001106825504 845263556 /nfs/dbraw/zinc/26/35/56/845263556.db2.gz VOFDALSHYYNOFN-SJLPKXTDSA-N 2 0 355.523 0.800 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106839359 845264211 /nfs/dbraw/zinc/26/42/11/845264211.db2.gz DJGWDPTWXGIDFN-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106839387 845265545 /nfs/dbraw/zinc/26/55/45/845265545.db2.gz FKLSHLKAWAXCHL-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1csnn1 ZINC001106880233 845277434 /nfs/dbraw/zinc/27/74/34/845277434.db2.gz FFCUUXRYSPDMMF-HZSPNIEDSA-N 2 0 355.508 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC001106880862 845277773 /nfs/dbraw/zinc/27/77/73/845277773.db2.gz PFIYUUSBTRDXOC-MGPQQGTHSA-N 2 0 369.428 0.562 20 0 FCADRP CCCC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(N)=O ZINC001106885202 845278219 /nfs/dbraw/zinc/27/82/19/845278219.db2.gz WXEXJLGNWMNHFM-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882600 845278242 /nfs/dbraw/zinc/27/82/42/845278242.db2.gz XOQBLCDIVDNQSX-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106905289 845283458 /nfs/dbraw/zinc/28/34/58/845283458.db2.gz JANMLRDPHMSHAS-QLFBSQMISA-N 2 0 351.499 0.687 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106910943 845284134 /nfs/dbraw/zinc/28/41/34/845284134.db2.gz WVYUCOSVJKOCHO-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981126 845298682 /nfs/dbraw/zinc/29/86/82/845298682.db2.gz GSDGJDAPNDSHRW-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984618 845301398 /nfs/dbraw/zinc/30/13/98/845301398.db2.gz WPXSWHXTNUFHLZ-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001107033487 845313347 /nfs/dbraw/zinc/31/33/47/845313347.db2.gz SBAIFNAGASXSLF-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001107033075 845313480 /nfs/dbraw/zinc/31/34/80/845313480.db2.gz FUTHEHWMPKAYDL-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039286 845316568 /nfs/dbraw/zinc/31/65/68/845316568.db2.gz PGJLHCQAXGFPLX-HZPDHXFCSA-N 2 0 356.511 0.163 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001107042292 845316760 /nfs/dbraw/zinc/31/67/60/845316760.db2.gz FLRKGULQAFYSGA-ZACQAIPSSA-N 2 0 351.495 0.268 20 0 FCADRP COC(C)(C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001276727405 861557693 /nfs/dbraw/zinc/55/76/93/861557693.db2.gz DKQLGBCUIRCCQL-SFHVURJKSA-N 2 0 350.463 0.859 20 0 FCADRP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2)C1CCC1 ZINC001107439411 845373403 /nfs/dbraw/zinc/37/34/03/845373403.db2.gz ZZMFAFIUJROMRT-IEBWSBKVSA-N 2 0 353.507 0.840 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495730 845385091 /nfs/dbraw/zinc/38/50/91/845385091.db2.gz UTACOPRGGVWEGL-DNVCBOLYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276766065 861591570 /nfs/dbraw/zinc/59/15/70/861591570.db2.gz FSUFFWHCRCGBAG-TXPKVOOTSA-N 2 0 350.507 0.729 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709750 845953769 /nfs/dbraw/zinc/95/37/69/845953769.db2.gz KKTMXAYODPXONG-TWMKSMIVSA-N 2 0 351.491 0.591 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765926 845970684 /nfs/dbraw/zinc/97/06/84/845970684.db2.gz YJXJWSBKUQFARB-ZACQAIPSSA-N 2 0 351.491 0.999 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110961013 846002128 /nfs/dbraw/zinc/00/21/28/846002128.db2.gz OQEDQWGDBFZMFT-HZMVEIRTSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198232 846059401 /nfs/dbraw/zinc/05/94/01/846059401.db2.gz PMGKXXFVNMUJAR-IDCNUPLLSA-N 2 0 353.507 0.980 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494346 846128015 /nfs/dbraw/zinc/12/80/15/846128015.db2.gz KXUQBJKOZRLHNN-TVFCKZIOSA-N 2 0 353.507 0.981 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851886 846230263 /nfs/dbraw/zinc/23/02/63/846230263.db2.gz SFGJLMKTSZJOGA-WSRJKRBPSA-N 2 0 353.507 0.695 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855696 846232013 /nfs/dbraw/zinc/23/20/13/846232013.db2.gz IQRJIVWMXDKQNF-LPHOPBHVSA-N 2 0 353.507 0.962 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864425 846236217 /nfs/dbraw/zinc/23/62/17/846236217.db2.gz OZSWNYSSNFEZMQ-SCTDSRPQSA-N 2 0 355.523 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111927110 846262664 /nfs/dbraw/zinc/26/26/64/846262664.db2.gz ZOHDRVLEBMIBEM-RYRKJORJSA-N 2 0 371.547 0.734 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111952583 846274512 /nfs/dbraw/zinc/27/45/12/846274512.db2.gz PCUUCKFEAWPJNZ-DEYYWGMASA-N 2 0 350.463 0.104 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983541 846281070 /nfs/dbraw/zinc/28/10/70/846281070.db2.gz MYQSYQNCGYTEHV-GJYPPUQNSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004080 846291019 /nfs/dbraw/zinc/29/10/19/846291019.db2.gz LISIYWGKYICGGO-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004500 846291046 /nfs/dbraw/zinc/29/10/46/846291046.db2.gz GNXYEAZZIUHKAY-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001112009665 846294976 /nfs/dbraw/zinc/29/49/76/846294976.db2.gz OAEJUGYYJRGEOC-LPHOPBHVSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112124615 846402719 /nfs/dbraw/zinc/40/27/19/846402719.db2.gz ODXRRVZCWNJCFT-YNEHKIRRSA-N 2 0 369.428 0.703 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154725 846422469 /nfs/dbraw/zinc/42/24/69/846422469.db2.gz YWEJWOHLLOGFCP-JHJVBQTASA-N 2 0 367.412 0.314 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112156018 846423349 /nfs/dbraw/zinc/42/33/49/846423349.db2.gz VGPIXZIXYTXNAJ-IJLUTSLNSA-N 2 0 352.401 0.571 20 0 FCADRP CCCC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112159105 846425938 /nfs/dbraw/zinc/42/59/38/846425938.db2.gz QCMSEMCANFUOAF-JHJVBQTASA-N 2 0 366.428 0.961 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206633 846464236 /nfs/dbraw/zinc/46/42/36/846464236.db2.gz YOKZEQISSSEKHC-MGPQQGTHSA-N 2 0 367.412 0.580 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211929 846468597 /nfs/dbraw/zinc/46/85/97/846468597.db2.gz DIYJGURTTSJBCF-JHJVBQTASA-N 2 0 355.401 0.313 20 0 FCADRP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2)C(N)=O ZINC001112401624 846501244 /nfs/dbraw/zinc/50/12/44/846501244.db2.gz OUGHHSGICMOGQO-QOKNQOGYSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112529825 846516093 /nfs/dbraw/zinc/51/60/93/846516093.db2.gz QWGBCFGNQDARGG-BQFCYCMXSA-N 2 0 371.547 0.591 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001112531135 846516446 /nfs/dbraw/zinc/51/64/46/846516446.db2.gz HGZVVLRHOFJDKB-ZOBUZTSGSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112529826 846516617 /nfs/dbraw/zinc/51/66/17/846516617.db2.gz QWGBCFGNQDARGG-RYRKJORJSA-N 2 0 371.547 0.591 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112548684 846521332 /nfs/dbraw/zinc/52/13/32/846521332.db2.gz LZMJXNHTRLWOQU-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112563708 846525228 /nfs/dbraw/zinc/52/52/28/846525228.db2.gz JZSQMSLUQQLGEO-BQFCYCMXSA-N 2 0 371.547 0.591 20 0 FCADRP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580693 846529765 /nfs/dbraw/zinc/52/97/65/846529765.db2.gz ZLXCGNFRTZGQCP-LPHOPBHVSA-N 2 0 350.507 0.956 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112586421 846531974 /nfs/dbraw/zinc/53/19/74/846531974.db2.gz YGMWXSKMOUMAIB-FCEWJHQRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112586051 846532157 /nfs/dbraw/zinc/53/21/57/846532157.db2.gz FEWVEFOXAKDTMY-LPHOPBHVSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116876724 846791611 /nfs/dbraw/zinc/79/16/11/846791611.db2.gz DHKIRGKHNQGSPP-INIZCTEOSA-N 2 0 369.535 0.920 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001117359720 846979946 /nfs/dbraw/zinc/97/99/46/846979946.db2.gz KZYKCVAGKNIPMB-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC001117477928 847038776 /nfs/dbraw/zinc/03/87/76/847038776.db2.gz SXBZKAHZGOSCNM-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001117972303 847235893 /nfs/dbraw/zinc/23/58/93/847235893.db2.gz SHADIKBDVSRDKE-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001118038976 847258095 /nfs/dbraw/zinc/25/80/95/847258095.db2.gz QKEOLIZQTOMYIB-OAHLLOKOSA-N 2 0 370.563 0.969 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cn1 ZINC001119764985 847968262 /nfs/dbraw/zinc/96/82/62/847968262.db2.gz DJKSHHAGNAALOO-JKSUJKDBSA-N 2 0 350.467 0.508 20 0 FCADRP C[NH+](C)CC1(O)CCN(CCC[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC001119903579 848025792 /nfs/dbraw/zinc/02/57/92/848025792.db2.gz CTZUFSYGJBSAMQ-UHFFFAOYSA-N 3 0 356.555 0.154 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2 ZINC001120585153 848249123 /nfs/dbraw/zinc/24/91/23/848249123.db2.gz ZRFJGEGRJPYEIO-UHFFFAOYSA-N 2 0 351.495 0.548 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001121922766 848417495 /nfs/dbraw/zinc/41/74/95/848417495.db2.gz OQYGWADNYSSDOO-RHSMWYFYSA-N 2 0 354.495 0.093 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001121928025 848419975 /nfs/dbraw/zinc/41/99/75/848419975.db2.gz MAIVPTVUGUORRK-SQNIBIBYSA-N 2 0 352.523 0.677 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001122009387 848433694 /nfs/dbraw/zinc/43/36/94/848433694.db2.gz NUPOFEORUSSYDV-TVFCKZIOSA-N 2 0 352.523 0.676 20 0 FCADRP CC[NH+]1CC[C@H](CNC(=O)/C(C)=C/C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC001123506156 848599416 /nfs/dbraw/zinc/59/94/16/848599416.db2.gz VSFFZTKGAKNNQP-QYHCQRMFSA-N 2 0 350.507 0.849 20 0 FCADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1cc(C)on1 ZINC001127643648 848730088 /nfs/dbraw/zinc/73/00/88/848730088.db2.gz FFPZQGKMXNXKNJ-MGPQQGTHSA-N 2 0 351.451 0.746 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001127701265 848733417 /nfs/dbraw/zinc/73/34/17/848733417.db2.gz MFZZRCCMIOZRKZ-QWHCGFSZSA-N 2 0 353.492 0.542 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052803 848801156 /nfs/dbraw/zinc/80/11/56/848801156.db2.gz NEFDSENTBUVXRX-IMJJTQAJSA-N 2 0 352.458 0.852 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233168 848821058 /nfs/dbraw/zinc/82/10/58/848821058.db2.gz GRPFGGPNDVEUIB-OWCLPIDISA-N 2 0 352.483 0.242 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001129879018 848906864 /nfs/dbraw/zinc/90/68/64/848906864.db2.gz OBDZSPDLJYBRMS-OAGGEKHMSA-N 2 0 352.458 0.710 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129910050 848912959 /nfs/dbraw/zinc/91/29/59/848912959.db2.gz ACADGROWBSBHQJ-XDCDBXOZSA-N 2 0 352.870 0.856 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130011941 848930484 /nfs/dbraw/zinc/93/04/84/848930484.db2.gz GEZBPKSZRFBMNX-VBYRCMAHSA-N 2 0 352.870 0.856 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1)OC ZINC001130047570 848936092 /nfs/dbraw/zinc/93/60/92/848936092.db2.gz IBSDPQLMEFWJJW-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130075672 848940805 /nfs/dbraw/zinc/94/08/05/848940805.db2.gz ZQQAXNNRRYHVAH-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+](C)C)[nH]1 ZINC001130233122 848981826 /nfs/dbraw/zinc/98/18/26/848981826.db2.gz YQWPKIRUEIBFHO-KBPBESRZSA-N 2 0 352.483 0.633 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130621912 849021288 /nfs/dbraw/zinc/02/12/88/849021288.db2.gz GLPBXCZXAPVBFY-GOEBONIOSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130719246 849028456 /nfs/dbraw/zinc/02/84/56/849028456.db2.gz FVIGCVLOZHDSSE-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3([NH+](C)C)CCC3)n2)O1 ZINC001130790075 849044201 /nfs/dbraw/zinc/04/42/01/849044201.db2.gz GNDQFSHVHNAKQR-QWHCGFSZSA-N 2 0 350.467 0.735 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n2)O1 ZINC001130809047 849047370 /nfs/dbraw/zinc/04/73/70/849047370.db2.gz DQYUPJJKPVOGAZ-GZBFAFLISA-N 2 0 352.483 0.837 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n2)O1 ZINC001130809148 849047436 /nfs/dbraw/zinc/04/74/36/849047436.db2.gz JLWYECVFUWWCIK-MELADBBJSA-N 2 0 352.483 0.981 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccns1 ZINC001131068112 849077104 /nfs/dbraw/zinc/07/71/04/849077104.db2.gz MOWSVXKNGZWQGG-HUUCEWRRSA-N 2 0 362.503 0.913 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131115248 849080098 /nfs/dbraw/zinc/08/00/98/849080098.db2.gz GIUHXFAXCAIULA-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001131519012 849117273 /nfs/dbraw/zinc/11/72/73/849117273.db2.gz AMDNCADXWJDSSV-INMHGKMJSA-N 2 0 354.495 0.058 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@@H](O)C(F)(F)F)C2 ZINC001277694505 862001508 /nfs/dbraw/zinc/00/15/08/862001508.db2.gz JZMJSZUGQIIHQO-TZMCWYRMSA-N 2 0 353.385 0.022 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001142680756 849458321 /nfs/dbraw/zinc/45/83/21/849458321.db2.gz DFUSRFRTINALEZ-JGFGOLAASA-N 2 0 357.495 0.692 20 0 FCADRP CN1c2cc(Cl)cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2OCC1=O ZINC001154918621 849822246 /nfs/dbraw/zinc/82/22/46/849822246.db2.gz YDTXSPPRHADRNB-UHFFFAOYSA-N 2 0 353.810 0.770 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001156381430 849904342 /nfs/dbraw/zinc/90/43/42/849904342.db2.gz QOCNNIVNQTWBCP-ZDUSSCGKSA-N 2 0 367.519 0.712 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157370913 849966869 /nfs/dbraw/zinc/96/68/69/849966869.db2.gz KTFDPLUPNCQGRH-CABCVRRESA-N 2 0 356.511 0.755 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]1[NH3+] ZINC001157810710 849996558 /nfs/dbraw/zinc/99/65/58/849996558.db2.gz QZXMPJJIBGNDPB-QPSCCSFWSA-N 2 0 354.495 0.316 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3nc(Cl)cc(C(N)=O)n3)CC2)CC1 ZINC001157838395 849999968 /nfs/dbraw/zinc/99/99/68/849999968.db2.gz WVNGMKIQXZFFQZ-UHFFFAOYSA-N 2 0 352.870 0.693 20 0 FCADRP CC(C)S(=O)(=O)N(c1ncnc2c1CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001157989104 850010052 /nfs/dbraw/zinc/01/00/52/850010052.db2.gz FFBPWKCSKQZOQH-ZDUSSCGKSA-N 2 0 353.492 0.461 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158081705 850016600 /nfs/dbraw/zinc/01/66/00/850016600.db2.gz HNEUHENCXOIYRC-CQSZACIVSA-N 2 0 355.504 0.131 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241025 850027679 /nfs/dbraw/zinc/02/76/79/850027679.db2.gz QBFXVPLBSPRFOI-QWHCGFSZSA-N 2 0 359.396 0.965 20 0 FCADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262140 850030082 /nfs/dbraw/zinc/03/00/82/850030082.db2.gz QKVXTCCCSCICTL-TZMCWYRMSA-N 2 0 350.467 0.230 20 0 FCADRP O=C(c1cc2c(s1)C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158284731 850033841 /nfs/dbraw/zinc/03/38/41/850033841.db2.gz BYWCOAKXXQGESQ-UHFFFAOYSA-N 2 0 358.471 0.720 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]Cc2cnon2)CC1 ZINC001158282702 850034271 /nfs/dbraw/zinc/03/42/71/850034271.db2.gz WDJRDFFADADNPR-CVEARBPZSA-N 2 0 351.451 0.412 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C2 ZINC001158380127 850041476 /nfs/dbraw/zinc/04/14/76/850041476.db2.gz COTSWTAGJTUIEL-FKGLVLAHSA-N 2 0 363.380 0.657 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001158380123 850041592 /nfs/dbraw/zinc/04/15/92/850041592.db2.gz CMLCKQSJLDTBTE-GDLCADMTSA-N 2 0 351.369 0.480 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CCCC1)C2 ZINC001158381517 850042423 /nfs/dbraw/zinc/04/24/23/850042423.db2.gz HKWKPDAFUGKRCQ-ZFWWWQNUSA-N 2 0 363.380 0.802 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1CC[NH2+]CC1)C2 ZINC001158384291 850044316 /nfs/dbraw/zinc/04/43/16/850044316.db2.gz RTXIBGLKOARLAZ-GJZGRUSLSA-N 2 0 363.380 0.530 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001158506655 850056925 /nfs/dbraw/zinc/05/69/25/850056925.db2.gz PRHXXGPQDSKHCF-AUZPSNTRSA-N 2 0 364.471 0.933 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759548 850072794 /nfs/dbraw/zinc/07/27/94/850072794.db2.gz QGZCNCXCONLQDJ-AWEZNQCLSA-N 2 0 364.519 0.457 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158890994 850084236 /nfs/dbraw/zinc/08/42/36/850084236.db2.gz SBTXZENUKCRYHP-AWEZNQCLSA-N 2 0 354.495 0.332 20 0 FCADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC3)cs1 ZINC001158976595 850089201 /nfs/dbraw/zinc/08/92/01/850089201.db2.gz KOUGKKOHVHRUNS-CVEARBPZSA-N 2 0 364.515 0.989 20 0 FCADRP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001159127564 850096829 /nfs/dbraw/zinc/09/68/29/850096829.db2.gz TWGVJCJJORZVTQ-ZFWWWQNUSA-N 2 0 350.467 0.092 20 0 FCADRP CC(C)(C)N(C(=O)CNC1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159161108 850098688 /nfs/dbraw/zinc/09/86/88/850098688.db2.gz XMNLWGMZXQWVTH-INIZCTEOSA-N 2 0 352.523 0.866 20 0 FCADRP Nc1ncn(C2=CCC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159398338 850111197 /nfs/dbraw/zinc/11/11/97/850111197.db2.gz WPABWROBOFBZER-YPMHNXCESA-N 2 0 352.870 0.214 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159561015 850121323 /nfs/dbraw/zinc/12/13/23/850121323.db2.gz UQHVJAZNTXFIJD-SXBQZSJRSA-N 2 0 367.519 0.353 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccsc3)CC[C@@H]2C1 ZINC001159634259 850125703 /nfs/dbraw/zinc/12/57/03/850125703.db2.gz AAZDPJRTKNDYNC-IXDOHACOSA-N 2 0 367.515 0.814 20 0 FCADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857083 850141386 /nfs/dbraw/zinc/14/13/86/850141386.db2.gz VXWDTYFIJPUAFZ-RDJZCZTQSA-N 2 0 350.438 0.428 20 0 FCADRP CCN(C)C(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175350 850156186 /nfs/dbraw/zinc/15/61/86/850156186.db2.gz NGYBUXONMNFOQM-NVXWUHKLSA-N 2 0 350.507 0.943 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160483147 850174840 /nfs/dbraw/zinc/17/48/40/850174840.db2.gz OXWWYXKTGGTBOD-MRXNPFEDSA-N 2 0 371.547 0.734 20 0 FCADRP O=C(N1CCn2c(Br)cnc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160546502 850180547 /nfs/dbraw/zinc/18/05/47/850180547.db2.gz ZPEWCHWXXGNRPY-QMTHXVAHSA-N 2 0 354.252 0.187 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160630473 850186972 /nfs/dbraw/zinc/18/69/72/850186972.db2.gz ZIKOILIVXFILLB-KRWDZBQOSA-N 4 0 353.555 0.593 20 0 FCADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC2 ZINC001160806306 850199426 /nfs/dbraw/zinc/19/94/26/850199426.db2.gz NVAVDWZJLXNBCJ-ZDUSSCGKSA-N 2 0 351.451 0.162 20 0 FCADRP COCCOc1cccc(N2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001160942879 850214567 /nfs/dbraw/zinc/21/45/67/850214567.db2.gz FPPGWRWFLCOXQV-KRWDZBQOSA-N 2 0 350.463 0.427 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967444 850214947 /nfs/dbraw/zinc/21/49/47/850214947.db2.gz LRWGSDGWPPDPBO-TZMCWYRMSA-N 2 0 350.369 0.744 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)CC(F)(F)C1 ZINC001160971873 850216291 /nfs/dbraw/zinc/21/62/91/850216291.db2.gz CGDQRNKVQWZOGQ-LEWSCRJBSA-N 2 0 350.369 0.294 20 0 FCADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051353 850225196 /nfs/dbraw/zinc/22/51/96/850225196.db2.gz UEUPISMVRPPINE-CABCVRRESA-N 2 0 357.520 0.342 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061975 850226891 /nfs/dbraw/zinc/22/68/91/850226891.db2.gz IOTIMYAPOJLWBF-SRVKXCTJSA-N 2 0 352.401 0.891 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062451 850227076 /nfs/dbraw/zinc/22/70/76/850227076.db2.gz KDBNIWSZSILRFF-QXSJWSMHSA-N 3 0 353.511 0.162 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161097305 850230138 /nfs/dbraw/zinc/23/01/38/850230138.db2.gz BVDMSLHMLPRPNA-WCQYABFASA-N 2 0 360.384 0.620 20 0 FCADRP CC1(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@]12c1ccccc1OC2=O ZINC001161162611 850236435 /nfs/dbraw/zinc/23/64/35/850236435.db2.gz FMFVCBOCEDAMPM-SCLBCKFNSA-N 2 0 363.483 0.874 20 0 FCADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C[C@@H]2C1 ZINC001161175458 850236928 /nfs/dbraw/zinc/23/69/28/850236928.db2.gz MFJYCBOISBEUMU-AJNGGQMLSA-N 2 0 352.479 0.097 20 0 FCADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001161174927 850238038 /nfs/dbraw/zinc/23/80/38/850238038.db2.gz HAXHLQYGBOXMLE-OWCLPIDISA-N 2 0 369.531 0.201 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245759 850242694 /nfs/dbraw/zinc/24/26/94/850242694.db2.gz FYGYKBQKIBNBOI-WFGGJUAMSA-N 2 0 362.515 0.497 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245757 850243513 /nfs/dbraw/zinc/24/35/13/850243513.db2.gz FYGYKBQKIBNBOI-QCQGSNGOSA-N 2 0 362.515 0.497 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321520 850252024 /nfs/dbraw/zinc/25/20/24/850252024.db2.gz INNJDMGDSCSMCF-DZKIICNBSA-N 2 0 352.479 0.214 20 0 FCADRP CCOC(=O)C1(C(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]C1 ZINC001161321268 850252198 /nfs/dbraw/zinc/25/21/98/850252198.db2.gz BMBSAFJJTFFOBM-HDJSIYSDSA-N 2 0 353.463 0.417 20 0 FCADRP CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC001161338333 850253095 /nfs/dbraw/zinc/25/30/95/850253095.db2.gz DWCBBYZXRBBURU-RYUDHWBXSA-N 2 0 352.401 0.763 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380336 850255581 /nfs/dbraw/zinc/25/55/81/850255581.db2.gz URFBMXZQSJZSFI-HUUCEWRRSA-N 2 0 354.495 0.460 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376753 850256072 /nfs/dbraw/zinc/25/60/72/850256072.db2.gz CUEZOXHEGSBPKI-GJZGRUSLSA-N 2 0 354.495 0.330 20 0 FCADRP COc1nc(NCCC[NH2+]CCCC[NH3+])nc(N2CCCCCC2)n1 ZINC001162292850 850306397 /nfs/dbraw/zinc/30/63/97/850306397.db2.gz QSXPDNUFYXORJC-UHFFFAOYSA-N 2 0 351.499 0.813 20 0 FCADRP CN1CCO[C@@H](CNc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001162693730 850326703 /nfs/dbraw/zinc/32/67/03/850326703.db2.gz JILRFYSTEOALDQ-INIZCTEOSA-N 2 0 368.503 0.459 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833749 862121344 /nfs/dbraw/zinc/12/13/44/862121344.db2.gz GTHXAEBGPVRCPY-DYVFJYSZSA-N 2 0 361.433 0.795 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833753 862123404 /nfs/dbraw/zinc/12/34/04/862123404.db2.gz GTHXAEBGPVRCPY-SUMWQHHRSA-N 2 0 361.433 0.795 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001164582312 850417412 /nfs/dbraw/zinc/41/74/12/850417412.db2.gz HGRYJRNKOZSIMW-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001164575654 850417632 /nfs/dbraw/zinc/41/76/32/850417632.db2.gz GBZSSMQQXMABDX-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP NC(=O)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC[NH2+]1 ZINC001165070896 850422050 /nfs/dbraw/zinc/42/20/50/850422050.db2.gz CGGHLOWRKCYGCU-ZDUSSCGKSA-N 2 0 371.819 0.920 20 0 FCADRP CS(=O)(=O)c1nc2c(c(N3CCC4(CC([NH3+])C4)CC3)n1)CC[NH2+]CC2 ZINC001165244040 850430874 /nfs/dbraw/zinc/43/08/74/850430874.db2.gz SLCADMSWNMUQTH-UHFFFAOYSA-N 2 0 365.503 0.276 20 0 FCADRP O=C1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC2(CC[NH2+]CC2)N1 ZINC001165252233 850431138 /nfs/dbraw/zinc/43/11/38/850431138.db2.gz AZACXXWOJXDMCS-UHFFFAOYSA-N 2 0 364.881 0.655 20 0 FCADRP CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728759 850453967 /nfs/dbraw/zinc/45/39/67/850453967.db2.gz SZVBNWBYQWGSAP-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP CS(=O)(=O)N(c1cnc(O[C@@H]2CC[NH2+]C2)nc1)c1cccc(C[NH3+])c1 ZINC001166470860 850478162 /nfs/dbraw/zinc/47/81/62/850478162.db2.gz IFFBGDNIEQFRLW-OAHLLOKOSA-N 2 0 363.443 0.774 20 0 FCADRP O=S(=O)(N(C[C@H]1CCC[NH2+]1)c1ncnc2c1CC[NH2+]C2)C(F)(F)F ZINC001166883453 850509836 /nfs/dbraw/zinc/50/98/36/850509836.db2.gz LNTOMCKGWHSUOZ-SECBINFHSA-N 2 0 365.381 0.530 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1noc3c1C[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169131131 850606114 /nfs/dbraw/zinc/60/61/14/850606114.db2.gz PWYAVMXZXFZVBV-CLLJXQQHSA-N 2 0 354.476 0.707 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC([NH3+])C2)C[C@H]1C(=O)N1CCSC1 ZINC001170025081 850644162 /nfs/dbraw/zinc/64/41/62/850644162.db2.gz GBUSUWWLAOJXKN-PQAZSJQKSA-N 2 0 370.519 0.977 20 0 FCADRP [NH3+]CCOCCOCCNc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001170513097 850655968 /nfs/dbraw/zinc/65/59/68/850655968.db2.gz SKWXVNDXXARWPD-UHFFFAOYSA-N 2 0 350.463 0.654 20 0 FCADRP C[C@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001170577130 850659306 /nfs/dbraw/zinc/65/93/06/850659306.db2.gz YENMWRATLAKFOE-GUYCJALGSA-N 2 0 368.503 0.506 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170822500 850666002 /nfs/dbraw/zinc/66/60/02/850666002.db2.gz SDWVTCPQDRPUOB-KRWDZBQOSA-N 2 0 352.523 0.726 20 0 FCADRP CCOC(=O)CN(CC[NH3+])c1nc(C[NH3+])ccc1NC(=O)C(C)(C)C ZINC001170993099 850672982 /nfs/dbraw/zinc/67/29/82/850672982.db2.gz XXGMODYOJVRVAQ-UHFFFAOYSA-N 2 0 351.451 0.853 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C3C[C@@H]4COC[C@H](C3)N4C)CC[C@@H]2C1 ZINC001172137403 850705743 /nfs/dbraw/zinc/70/57/43/850705743.db2.gz RNINHCBCMIQTNS-DWBSNAHUSA-N 2 0 353.507 0.517 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173570879 850728084 /nfs/dbraw/zinc/72/80/84/850728084.db2.gz RMTONFGJHMYOSY-BITGBVICSA-N 2 0 354.447 0.698 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])C[C@@H]1C(=O)OC ZINC001173572376 850728180 /nfs/dbraw/zinc/72/81/80/850728180.db2.gz DVWDCVJHMVDMDK-ZPVXYNJMSA-N 2 0 358.435 0.042 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178736112 850922270 /nfs/dbraw/zinc/92/22/70/850922270.db2.gz OPJQBISAGMKQBH-QSPRXWTASA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178735924 850922531 /nfs/dbraw/zinc/92/25/31/850922531.db2.gz KQBHFWLDZIIIOP-QSPRXWTASA-N 2 0 350.507 0.917 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180611385 851053614 /nfs/dbraw/zinc/05/36/14/851053614.db2.gz AAQWMDZEQQJEDU-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC001182012267 851146012 /nfs/dbraw/zinc/14/60/12/851146012.db2.gz IKINGDSCVMQYJJ-FGTMMUONSA-N 2 0 351.491 0.524 20 0 FCADRP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182660733 851189057 /nfs/dbraw/zinc/18/90/57/851189057.db2.gz GCLKNEFIHSSHFO-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001186363524 851428249 /nfs/dbraw/zinc/42/82/49/851428249.db2.gz ANWQISUBPCOINK-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP COCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](COCCOC)C[C@@H]12 ZINC001278208502 862256134 /nfs/dbraw/zinc/25/61/34/862256134.db2.gz XILGXHJQKACBLW-HOTGVXAUSA-N 2 0 355.479 0.156 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@H](C1)O2 ZINC001278232235 862265875 /nfs/dbraw/zinc/26/58/75/862265875.db2.gz RGNOCPZUTZILAA-HDICACEKSA-N 2 0 353.507 0.866 20 0 FCADRP COCC[N@@H+]1CCC[C@@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001278270847 862285010 /nfs/dbraw/zinc/28/50/10/862285010.db2.gz WNJWHFCTHLSHIC-MJGOQNOKSA-N 2 0 351.491 0.811 20 0 FCADRP COCC[N@@H+]1CCC[C@@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001278270842 862285451 /nfs/dbraw/zinc/28/54/51/862285451.db2.gz WNJWHFCTHLSHIC-HKUYNNGSSA-N 2 0 351.491 0.811 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189668828 851812552 /nfs/dbraw/zinc/81/25/52/851812552.db2.gz POPMBJKLKPCKLZ-LSDHHAIUSA-N 2 0 350.463 0.010 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]21 ZINC001189820225 851828352 /nfs/dbraw/zinc/82/83/52/851828352.db2.gz WZUBWFSEUGPEST-UONOGXRCSA-N 2 0 367.412 0.676 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001189891117 851838196 /nfs/dbraw/zinc/83/81/96/851838196.db2.gz OVSVZNPHQUWYBP-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001191889934 852150041 /nfs/dbraw/zinc/15/00/41/852150041.db2.gz SIFSEXHVTCPPOF-AWEZNQCLSA-N 2 0 360.499 0.478 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193728687 852478432 /nfs/dbraw/zinc/47/84/32/852478432.db2.gz RBRSMRULEDBOJV-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822206 852494005 /nfs/dbraw/zinc/49/40/05/852494005.db2.gz ZTZSDKMPGRBSHC-FGTMMUONSA-N 2 0 353.507 0.573 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001194103167 852536920 /nfs/dbraw/zinc/53/69/20/852536920.db2.gz WDLNZCILZRAFQP-IAGOWNOFSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+]1CCN(c2ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(F)c2)CC1 ZINC001194542437 852612746 /nfs/dbraw/zinc/61/27/46/852612746.db2.gz PTLXLMNJTDVUFE-UHFFFAOYSA-N 3 0 350.442 0.652 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)CCCC1 ZINC001195005673 852690875 /nfs/dbraw/zinc/69/08/75/852690875.db2.gz AHUFKNOGIUVNOQ-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC001196637351 852990861 /nfs/dbraw/zinc/99/08/61/852990861.db2.gz KNAUBAGCRFJYOG-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319701 853097477 /nfs/dbraw/zinc/09/74/77/853097477.db2.gz PRQJLWQIBLOVMI-IAGOWNOFSA-N 2 0 357.495 0.075 20 0 FCADRP C=CS(=O)(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001198600935 853291414 /nfs/dbraw/zinc/29/14/14/853291414.db2.gz PNIHSPXQDNQCSI-UHFFFAOYSA-N 2 0 356.536 0.636 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662788 853299609 /nfs/dbraw/zinc/29/96/09/853299609.db2.gz VIBLFEKNSSYBMQ-YNEHKIRRSA-N 2 0 353.385 0.068 20 0 FCADRP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699369 853303289 /nfs/dbraw/zinc/30/32/89/853303289.db2.gz ORUQNNHSXZHVMC-FZGCCYDFSA-N 2 0 353.507 0.862 20 0 FCADRP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699370 853303517 /nfs/dbraw/zinc/30/35/17/853303517.db2.gz ORUQNNHSXZHVMC-YSEKLJNJSA-N 2 0 353.507 0.862 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O ZINC001198699372 853304093 /nfs/dbraw/zinc/30/40/93/853304093.db2.gz OSTPFQHVVBNVJE-KBAYOESNSA-N 2 0 353.507 0.696 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001199018494 853356537 /nfs/dbraw/zinc/35/65/37/853356537.db2.gz ZTDTZSGXTYCXOY-KZNAEPCWSA-N 2 0 353.507 0.983 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC001199103279 853369121 /nfs/dbraw/zinc/36/91/21/853369121.db2.gz ISAPRTNKGZZCLC-UHFFFAOYSA-N 2 0 373.548 0.456 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001199370591 853414321 /nfs/dbraw/zinc/41/43/21/853414321.db2.gz ZPXMHNKZOQYING-RCCFBDPRSA-N 2 0 353.507 0.840 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200554342 853502001 /nfs/dbraw/zinc/50/20/01/853502001.db2.gz IXJAEANQAKOYKD-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205458411 853610237 /nfs/dbraw/zinc/61/02/37/853610237.db2.gz JXRCFNROHNITJA-JKSUJKDBSA-N 2 0 350.438 0.535 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205513131 853619157 /nfs/dbraw/zinc/61/91/57/853619157.db2.gz BKDBQRYLNORSPE-DLBZAZTESA-N 2 0 353.507 0.650 20 0 FCADRP CC[NH+](CC)CCN1CC[NH+](CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001207442556 853813103 /nfs/dbraw/zinc/81/31/03/853813103.db2.gz CTHWMUZPAWWHDJ-UHFFFAOYSA-N 2 0 360.568 0.617 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563450 853825760 /nfs/dbraw/zinc/82/57/60/853825760.db2.gz VGVQUGQNAULMQX-KBAYOESNSA-N 2 0 355.523 0.941 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001207649991 853834471 /nfs/dbraw/zinc/83/44/71/853834471.db2.gz RHJXMQQGFMQTLF-XYPHTWIQSA-N 2 0 350.511 0.918 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CC3(C)CCOCC3)CC[C@@H]2C1 ZINC001207967895 853877340 /nfs/dbraw/zinc/87/73/40/853877340.db2.gz HOKSTFXCTIEJBU-IAGOWNOFSA-N 2 0 353.507 0.914 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036470 853884747 /nfs/dbraw/zinc/88/47/47/853884747.db2.gz MCNWQJCBUPMJRT-LDBBTLTOSA-N 2 0 351.491 0.713 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070073 853890467 /nfs/dbraw/zinc/89/04/67/853890467.db2.gz CKTWEFFOAAQJTK-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001208070196 853890884 /nfs/dbraw/zinc/89/08/84/853890884.db2.gz GEZBJCGHAGCZLN-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208073161 853891673 /nfs/dbraw/zinc/89/16/73/853891673.db2.gz DJNSUHCGTINRRP-HRCADAONSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326891 854177020 /nfs/dbraw/zinc/17/70/20/854177020.db2.gz WSXZDVACKQIFTF-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293363 854430090 /nfs/dbraw/zinc/43/00/90/854430090.db2.gz IRRZJACHORHFMF-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298109 854431581 /nfs/dbraw/zinc/43/15/81/854431581.db2.gz VCBUDMRJAJFPEQ-VDHUWJSZSA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2OC)CC[N@@H+]1C ZINC001212299793 854432226 /nfs/dbraw/zinc/43/22/26/854432226.db2.gz PPSDRXHNIAXRPD-BSDSXHPESA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346502 854583565 /nfs/dbraw/zinc/58/35/65/854583565.db2.gz PWYVCUQCMVLDPC-HZPDHXFCSA-N 2 0 350.463 0.043 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576133 854672415 /nfs/dbraw/zinc/67/24/15/854672415.db2.gz GUZYFLQTRBYQNX-IAGOWNOFSA-N 2 0 357.495 0.341 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863126 854797249 /nfs/dbraw/zinc/79/72/49/854797249.db2.gz FBAQAMLUSKSYIQ-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001214335674 854926937 /nfs/dbraw/zinc/92/69/37/854926937.db2.gz GAMHXOYTPWNVCQ-UPJWGTAASA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214643436 854985452 /nfs/dbraw/zinc/98/54/52/854985452.db2.gz QKJKTCLCVUFBDW-FVQBIDKESA-N 2 0 350.507 0.679 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747482 855001621 /nfs/dbraw/zinc/00/16/21/855001621.db2.gz QMMMTIWGYUKCJX-VHDGCEQUSA-N 2 0 355.504 0.867 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001214754917 855002719 /nfs/dbraw/zinc/00/27/19/855002719.db2.gz LIPNUNLFYRLSGF-BZUAXINKSA-N 2 0 356.486 0.725 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214847942 855022262 /nfs/dbraw/zinc/02/22/62/855022262.db2.gz ZQBBEWZNRVDOKY-HUUCEWRRSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001214855345 855023530 /nfs/dbraw/zinc/02/35/30/855023530.db2.gz CQEKBEBMQBJBJP-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968977 855042015 /nfs/dbraw/zinc/04/20/15/855042015.db2.gz GQGNYYBDQZXKES-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]CCOCCO ZINC001215015022 855052899 /nfs/dbraw/zinc/05/28/99/855052899.db2.gz CBNGUKMCFLQVED-NVXWUHKLSA-N 2 0 350.463 0.353 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215069541 855062210 /nfs/dbraw/zinc/06/22/10/855062210.db2.gz UHXCBPYXSAOBKR-IUODEOHRSA-N 2 0 350.444 0.429 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215408086 855111462 /nfs/dbraw/zinc/11/14/62/855111462.db2.gz XQWMNYJFQCYTKS-UKRRQHHQSA-N 2 0 350.463 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001215415567 855112311 /nfs/dbraw/zinc/11/23/11/855112311.db2.gz AOUQJKZQAKHQMP-RBSFLKMASA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001215413798 855112340 /nfs/dbraw/zinc/11/23/40/855112340.db2.gz NOSYKEIGPWEKHC-IIAWOOMASA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001215421631 855112859 /nfs/dbraw/zinc/11/28/59/855112859.db2.gz JXWXGTVZUGNNCO-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001215459143 855117102 /nfs/dbraw/zinc/11/71/02/855117102.db2.gz ZFAXOMJEOPKTMI-MRVWCRGKSA-N 2 0 351.451 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215453916 855117376 /nfs/dbraw/zinc/11/73/76/855117376.db2.gz YPJWCZHSDISOLC-GDBMZVCRSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1)[NH+](C)C ZINC001215571694 855129016 /nfs/dbraw/zinc/12/90/16/855129016.db2.gz UEQNSRBHDLJLEI-BNOWGMLFSA-N 2 0 351.451 0.698 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001215998813 855163806 /nfs/dbraw/zinc/16/38/06/855163806.db2.gz CLOMOCBQCCQDHI-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216002260 855164262 /nfs/dbraw/zinc/16/42/62/855164262.db2.gz QBTJAYQTZYUGCM-CHWSQXEVSA-N 2 0 366.428 0.785 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001215998943 855164349 /nfs/dbraw/zinc/16/43/49/855164349.db2.gz IXYWTZAOTHFUPI-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216221590 855180383 /nfs/dbraw/zinc/18/03/83/855180383.db2.gz JAKRKZAAHRSZTI-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1 ZINC001216221751 855180980 /nfs/dbraw/zinc/18/09/80/855180980.db2.gz LMGMZEJEJQMGOM-DGCLKSJQSA-N 2 0 368.507 0.563 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327194 855192042 /nfs/dbraw/zinc/19/20/42/855192042.db2.gz NOGYXSJKOZFHQO-CKEIUWERSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216459201 855205204 /nfs/dbraw/zinc/20/52/04/855205204.db2.gz RBEPOJHGZPESDA-ZIAGYGMSSA-N 2 0 351.451 0.782 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216499775 855208098 /nfs/dbraw/zinc/20/80/98/855208098.db2.gz RVPUHNMZJVOXRR-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216507506 855209482 /nfs/dbraw/zinc/20/94/82/855209482.db2.gz YMZVTBWHRMNCFA-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216506303 855209877 /nfs/dbraw/zinc/20/98/77/855209877.db2.gz GAPVVJNNWMEICP-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001216830092 855252750 /nfs/dbraw/zinc/25/27/50/855252750.db2.gz KKKSGJMSPIPZPN-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1CC2(C1)CC[NH2+]C2 ZINC001218061835 855393850 /nfs/dbraw/zinc/39/38/50/855393850.db2.gz YGGFFVAASYXBPX-UHFFFAOYSA-N 2 0 350.419 0.282 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218113659 855398819 /nfs/dbraw/zinc/39/88/19/855398819.db2.gz CLZVQPOFOSOLGH-BMLIUANNSA-N 2 0 350.419 0.282 20 0 FCADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cnc(N4CC[NH2+]CC4)cn3)sc2C1 ZINC001218531679 855435632 /nfs/dbraw/zinc/43/56/32/855435632.db2.gz AKHXRRSYTPEMNC-JTQLQIEISA-N 2 0 359.459 0.411 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(Br)ccc1O ZINC001218834090 855484147 /nfs/dbraw/zinc/48/41/47/855484147.db2.gz POHWPECAIVOSIV-NSHDSACASA-N 2 0 357.252 0.844 20 0 FCADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001218873422 855489587 /nfs/dbraw/zinc/48/95/87/855489587.db2.gz IIJOTVUMPGOKKO-IRXDYDNUSA-N 2 0 350.438 0.687 20 0 FCADRP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218894405 855493119 /nfs/dbraw/zinc/49/31/19/855493119.db2.gz PIXHONVEZYMQEZ-OAHLLOKOSA-N 2 0 354.476 0.639 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(O)cc1Br ZINC001219009215 855511872 /nfs/dbraw/zinc/51/18/72/855511872.db2.gz RJSAUMOZLAHTJS-LBPRGKRZSA-N 2 0 357.252 0.844 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280777 855615524 /nfs/dbraw/zinc/61/55/24/855615524.db2.gz LUIIEYYIJKQREF-ZDUSSCGKSA-N 2 0 352.410 0.773 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219565685 855717108 /nfs/dbraw/zinc/71/71/08/855717108.db2.gz MAXVLXYJDDWLEQ-ZDUSSCGKSA-N 2 0 354.886 0.932 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567572 855717565 /nfs/dbraw/zinc/71/75/65/855717565.db2.gz PBKAAPFIGNCJKK-KRWDZBQOSA-N 2 0 350.463 0.080 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616590 855735030 /nfs/dbraw/zinc/73/50/30/855735030.db2.gz AOLXNTGSNJOKFL-HDMKZQKVSA-N 2 0 352.454 0.061 20 0 FCADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C[NH2+]1 ZINC001219684546 855770669 /nfs/dbraw/zinc/77/06/69/855770669.db2.gz PMPGKKSUTOHKJX-KBXIAJHMSA-N 2 0 354.495 0.234 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)c2ccsc2)C1 ZINC001219736815 855792262 /nfs/dbraw/zinc/79/22/62/855792262.db2.gz IGLSRAYIFPDQMA-OWCLPIDISA-N 2 0 364.515 0.707 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743771 855794960 /nfs/dbraw/zinc/79/49/60/855794960.db2.gz LRQUMHAMCDEIAL-KBPBESRZSA-N 2 0 355.479 0.724 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219747032 855797417 /nfs/dbraw/zinc/79/74/17/855797417.db2.gz PUNHWCLUJVVXTH-ZDUSSCGKSA-N 2 0 365.503 0.584 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811318 855828136 /nfs/dbraw/zinc/82/81/36/855828136.db2.gz PDFFHTHDWQMDEJ-HOCLYGCPSA-N 2 0 350.463 0.985 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814251 855829342 /nfs/dbraw/zinc/82/93/42/855829342.db2.gz ZTZSDKMPGRBSHC-SQNIBIBYSA-N 2 0 353.507 0.573 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)cc1 ZINC001219831468 855835797 /nfs/dbraw/zinc/83/57/97/855835797.db2.gz MCODWSRMBLKBSL-SIXLDLHFSA-N 2 0 365.499 0.749 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219833359 855837071 /nfs/dbraw/zinc/83/70/71/855837071.db2.gz CIEAGFSOPOKLSG-BYNQJWBRSA-N 2 0 351.369 0.038 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)Cc1cccs1 ZINC001219835183 855838355 /nfs/dbraw/zinc/83/83/55/855838355.db2.gz YRWQZYYPQYKTRR-GRDNDAEWSA-N 2 0 353.488 0.519 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001219837858 855839515 /nfs/dbraw/zinc/83/95/15/855839515.db2.gz MKSZXFVDJGHBNN-XNJGSVPQSA-N 2 0 366.487 0.693 20 0 FCADRP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877491 855857841 /nfs/dbraw/zinc/85/78/41/855857841.db2.gz IGLLVACBAGADTP-SJORKVTESA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919947 855878730 /nfs/dbraw/zinc/87/87/30/855878730.db2.gz UWSXFCYFUOZAQE-SJORKVTESA-N 2 0 350.463 0.494 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219938684 855888384 /nfs/dbraw/zinc/88/83/84/855888384.db2.gz ABRBEIZZQUFPQW-CYBMUJFWSA-N 2 0 357.476 0.970 20 0 FCADRP COc1ccc(O[C@@H](C)CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219947877 855891694 /nfs/dbraw/zinc/89/16/94/855891694.db2.gz GKHZVHFGYZPJLC-SUMWQHHRSA-N 2 0 350.463 0.329 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039698 855929478 /nfs/dbraw/zinc/92/94/78/855929478.db2.gz PAHYRRVQDILZKA-OTAFGISCSA-N 2 0 361.508 0.180 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073969 855947013 /nfs/dbraw/zinc/94/70/13/855947013.db2.gz RPUJUTBVNFDUOO-JQHSSLGASA-N 2 0 355.523 0.963 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078197 855948967 /nfs/dbraw/zinc/94/89/67/855948967.db2.gz KCFMEXPAQUGHSN-CVEARBPZSA-N 2 0 357.495 0.075 20 0 FCADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1F ZINC001220106430 855963552 /nfs/dbraw/zinc/96/35/52/855963552.db2.gz MQSCRZDGAGOSNN-NSHDSACASA-N 2 0 368.434 0.467 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001220200133 856005989 /nfs/dbraw/zinc/00/59/89/856005989.db2.gz BHSHRADMBVIEMO-HNNXBMFYSA-N 2 0 357.495 0.923 20 0 FCADRP COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220303822 856053421 /nfs/dbraw/zinc/05/34/21/856053421.db2.gz FIFUBIIFDULUAK-HOTGVXAUSA-N 2 0 354.495 0.365 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369893 856089863 /nfs/dbraw/zinc/08/98/63/856089863.db2.gz WSBQBFDWGZWNFC-BBWFWOEESA-N 2 0 355.523 0.942 20 0 FCADRP O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220396798 856105418 /nfs/dbraw/zinc/10/54/18/856105418.db2.gz MJEXKQGYKKDNTN-GFCCVEGCSA-N 2 0 359.817 0.633 20 0 FCADRP O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220396799 856105485 /nfs/dbraw/zinc/10/54/85/856105485.db2.gz MJEXKQGYKKDNTN-LBPRGKRZSA-N 2 0 359.817 0.633 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220678679 856237355 /nfs/dbraw/zinc/23/73/55/856237355.db2.gz IJYWJSQEIGGZLH-YJNKXOJESA-N 2 0 355.504 0.190 20 0 FCADRP CSc1ncc(Cl)c(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220714688 856259314 /nfs/dbraw/zinc/25/93/14/856259314.db2.gz VSLSQBUQGZBNMK-NSHDSACASA-N 2 0 358.899 0.219 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790830 856302524 /nfs/dbraw/zinc/30/25/24/856302524.db2.gz UZTJFJSLBVMPIT-SOUVJXGZSA-N 2 0 351.476 0.003 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1cccnc1N1CC[NH2+]CC1 ZINC001220802948 856307709 /nfs/dbraw/zinc/30/77/09/856307709.db2.gz AJXMJIHNVFBBPK-OLZOCXBDSA-N 2 0 357.380 0.761 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889339 856360266 /nfs/dbraw/zinc/36/02/66/856360266.db2.gz IYMZOLXMXDYYSC-AVGNSLFASA-N 2 0 362.565 0.173 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928317 856378001 /nfs/dbraw/zinc/37/80/01/856378001.db2.gz KWSDPEQDTQTHOP-HNNXBMFYSA-N 2 0 365.503 0.069 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001220986891 856408323 /nfs/dbraw/zinc/40/83/23/856408323.db2.gz DIYPWXSEUNROGI-JQHSSLGASA-N 2 0 353.507 0.696 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccn(CC(F)(F)F)c(=O)c1 ZINC001220987555 856408510 /nfs/dbraw/zinc/40/85/10/856408510.db2.gz AXOCPZMHLXVDPQ-LBPRGKRZSA-N 2 0 361.368 0.100 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037326 856432714 /nfs/dbraw/zinc/43/27/14/856432714.db2.gz QKFBOVQUWLOZGP-MQIPJXDCSA-N 2 0 350.438 0.835 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001221081399 856452858 /nfs/dbraw/zinc/45/28/58/856452858.db2.gz JSWDCJTZGWJSMT-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254402 856531363 /nfs/dbraw/zinc/53/13/63/856531363.db2.gz OCTFXDSWNJTIAT-AJNGGQMLSA-N 2 0 358.552 0.666 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1ccccc1 ZINC001221272173 856534827 /nfs/dbraw/zinc/53/48/27/856534827.db2.gz XXUHBZSPLJGMEB-LOJAJKFTSA-N 2 0 362.458 0.600 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367337 856555507 /nfs/dbraw/zinc/55/55/07/856555507.db2.gz PUQZNYZVZXNLHY-RBSFLKMASA-N 2 0 368.478 0.180 20 0 FCADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221372737 856555778 /nfs/dbraw/zinc/55/57/78/856555778.db2.gz RZQNZMDVCILZHD-CQSZACIVSA-N 2 0 359.536 0.815 20 0 FCADRP Cn1ncc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(Br)c1=O ZINC001221402130 856559276 /nfs/dbraw/zinc/55/92/76/856559276.db2.gz VROOSAYCPOVIPA-VIFPVBQESA-N 2 0 360.256 0.541 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCOC)C[C@H]32)CC[N@@H+]1C ZINC001221560787 856606179 /nfs/dbraw/zinc/60/61/79/856606179.db2.gz HUMULYOSGLAWIX-XMTFNYHQSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001221968954 856753179 /nfs/dbraw/zinc/75/31/79/856753179.db2.gz JEBVHWIMYFRLSE-HZPDHXFCSA-N 2 0 351.495 0.276 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC001223430846 856917420 /nfs/dbraw/zinc/91/74/20/856917420.db2.gz QOWGGNGMABQVCR-ZACQAIPSSA-N 2 0 371.547 0.686 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140987 856962243 /nfs/dbraw/zinc/96/22/43/856962243.db2.gz TXARISOAMBYTHV-KURKYZTESA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226162285 857086235 /nfs/dbraw/zinc/08/62/35/857086235.db2.gz YXTJYKPLBVYYDN-MGPQQGTHSA-N 2 0 353.467 0.071 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297103 857096635 /nfs/dbraw/zinc/09/66/35/857096635.db2.gz PHIHJXFSFRFDIA-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001226801486 857126802 /nfs/dbraw/zinc/12/68/02/857126802.db2.gz YMVQTKPKQLIIJW-NUJGCVRESA-N 2 0 350.507 0.870 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001227083540 857140380 /nfs/dbraw/zinc/14/03/80/857140380.db2.gz UGCGUEZFPRJORK-BZUAXINKSA-N 2 0 359.536 0.922 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC1 ZINC001228238340 857198049 /nfs/dbraw/zinc/19/80/49/857198049.db2.gz BLIZHYBDOBBEBO-HUUCEWRRSA-N 2 0 351.495 0.370 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O)[NH+](C)C ZINC001228661460 857221353 /nfs/dbraw/zinc/22/13/53/857221353.db2.gz VBDLSPXAPXABAX-ZACQAIPSSA-N 2 0 356.511 0.496 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001228669876 857222515 /nfs/dbraw/zinc/22/25/15/857222515.db2.gz WIEQRQIHROEIGC-ARFHVFGLSA-N 2 0 354.495 0.250 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229214349 857259117 /nfs/dbraw/zinc/25/91/17/857259117.db2.gz PLBARLKWCQWXDM-BRWVUGGUSA-N 2 0 351.495 0.603 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229229500 857259536 /nfs/dbraw/zinc/25/95/36/857259536.db2.gz BASBLSONZZHKLD-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001229692055 857281655 /nfs/dbraw/zinc/28/16/55/857281655.db2.gz DEDPXSATQBJCEJ-GVDBMIGSSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC001229711116 857283473 /nfs/dbraw/zinc/28/34/73/857283473.db2.gz WKNWRMDKESJFGN-BFHYXJOUSA-N 2 0 369.428 0.895 20 0 FCADRP CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229710155 857283558 /nfs/dbraw/zinc/28/35/58/857283558.db2.gz NQBFFRYEXMUFFL-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231706472 857363745 /nfs/dbraw/zinc/36/37/45/857363745.db2.gz LLNVOLZAQAHNRP-GFCCVEGCSA-N 2 0 350.419 0.737 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@H]1[C@H](C)CNCC1(F)F)C2 ZINC001235331746 857422423 /nfs/dbraw/zinc/42/24/23/857422423.db2.gz YCLQQFRRRNLAJM-IXYRMGKJSA-N 2 0 357.445 0.808 20 0 FCADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cnc1Br ZINC001235872947 857433386 /nfs/dbraw/zinc/43/33/86/857433386.db2.gz CQJPIHBVYCAMRC-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Br)n1 ZINC001235874542 857434248 /nfs/dbraw/zinc/43/42/48/857434248.db2.gz ROPGWQJEPHTCQT-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cnc(SC)nc3N)C[C@H]1C2 ZINC001236028994 857435958 /nfs/dbraw/zinc/43/59/58/857435958.db2.gz YNSMPUXOIZENNY-DAWNXDAASA-N 2 0 363.487 0.611 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccnn1[C@@H]1CCCCO1 ZINC001236309438 857437773 /nfs/dbraw/zinc/43/77/73/857437773.db2.gz NZWGEDVOLYPGPC-KRWDZBQOSA-N 2 0 352.483 0.198 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c(F)c(F)cc(F)c1F ZINC001236309297 857438167 /nfs/dbraw/zinc/43/81/67/857438167.db2.gz LJKYOCSJEZSPJB-UHFFFAOYSA-N 2 0 350.360 0.859 20 0 FCADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Cl)c1 ZINC001236311015 857439131 /nfs/dbraw/zinc/43/91/31/857439131.db2.gz DTFWKDIYUMEQKN-UHFFFAOYSA-N 2 0 370.881 0.742 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)cc1Cl ZINC001236312608 857439817 /nfs/dbraw/zinc/43/98/17/857439817.db2.gz VDXPZHDVRZPAIY-UHFFFAOYSA-N 2 0 372.897 0.973 20 0 FCADRP COC(=O)Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236311854 857439829 /nfs/dbraw/zinc/43/98/29/857439829.db2.gz WQHLTYQDPUYWAI-UHFFFAOYSA-N 2 0 350.463 0.018 20 0 FCADRP Cc1nc(Br)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312663 857439838 /nfs/dbraw/zinc/43/98/38/857439838.db2.gz XBZDHFWAFURJLU-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP Cn1c(Br)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236314049 857439879 /nfs/dbraw/zinc/43/98/79/857439879.db2.gz FQAXEEGFMMLHPL-UHFFFAOYSA-N 2 0 360.300 0.403 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(F)c(F)c(F)c1F ZINC001236312213 857439895 /nfs/dbraw/zinc/43/98/95/857439895.db2.gz RAKJXYDFQHXDGM-UHFFFAOYSA-N 2 0 350.360 0.859 20 0 FCADRP O=C(c1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC001237621295 857456425 /nfs/dbraw/zinc/45/64/25/857456425.db2.gz DQFDLLPRLDESHQ-UHFFFAOYSA-N 2 0 352.460 0.226 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2c(c1)OCCO2 ZINC001238239583 857464856 /nfs/dbraw/zinc/46/48/56/857464856.db2.gz DVYBEKIEPAKNOV-CYBMUJFWSA-N 2 0 367.471 0.610 20 0 FCADRP COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238242144 857465426 /nfs/dbraw/zinc/46/54/26/857465426.db2.gz MRKPSNXLZVKEHJ-CQSZACIVSA-N 2 0 367.471 0.626 20 0 FCADRP CCOC(=O)C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238510919 857472949 /nfs/dbraw/zinc/47/29/49/857472949.db2.gz DDKPLZOULOCANM-OAHLLOKOSA-N 2 0 361.508 0.227 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1ccccc1N1CC[NH2+]CC1 ZINC001238695900 857478295 /nfs/dbraw/zinc/47/82/95/857478295.db2.gz TUUXJHHMZUGVJC-UHFFFAOYSA-N 2 0 352.504 0.515 20 0 FCADRP COc1cccc(CC2(NS(=O)(=O)[C@H]3CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001238812373 857480223 /nfs/dbraw/zinc/48/02/23/857480223.db2.gz RGBXUFORUYSJCL-INIZCTEOSA-N 2 0 353.488 0.641 20 0 FCADRP CCOC(=O)[C@@]12CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]1CC[NH2+]CC2 ZINC001239063461 857503765 /nfs/dbraw/zinc/50/37/65/857503765.db2.gz NGHJBPLDQLGEID-RDJZCZTQSA-N 2 0 373.519 0.181 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC001239097411 857513721 /nfs/dbraw/zinc/51/37/21/857513721.db2.gz SNCJYZVREWQFLD-UHFFFAOYSA-N 2 0 369.491 0.613 20 0 FCADRP CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977949 857562251 /nfs/dbraw/zinc/56/22/51/857562251.db2.gz YITJYFSEQCHSAJ-FHLIZLRMSA-N 2 0 356.438 0.866 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]CCC[NH2+]CCCC[NH3+])cc1 ZINC001246011506 857564456 /nfs/dbraw/zinc/56/44/56/857564456.db2.gz VKSVFLCODZVAOH-GOSISDBHSA-N 3 0 353.507 0.923 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001246034339 857565777 /nfs/dbraw/zinc/56/57/77/857565777.db2.gz QAJLDIMWFISDLU-KFWWJZLASA-N 2 0 365.396 0.118 20 0 FCADRP O[C@H](CCOCc1ccccc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057007 857567328 /nfs/dbraw/zinc/56/73/28/857567328.db2.gz REJJYXVEMXKBHN-LJQANCHMSA-N 2 0 350.507 0.039 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246138527 857568727 /nfs/dbraw/zinc/56/87/27/857568727.db2.gz JJVSPFAMVDNIPN-XHSDSOJGSA-N 2 0 368.547 0.388 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)O2)CN1)N1CCSC1 ZINC001246133623 857569008 /nfs/dbraw/zinc/56/90/08/857569008.db2.gz KUNYZOWSJSHLRW-ILXRZTDVSA-N 2 0 354.520 0.141 20 0 FCADRP O=C([C@@H]1C[C@@H](N[C@H](C2CC[NH2+]CC2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246188311 857570091 /nfs/dbraw/zinc/57/00/91/857570091.db2.gz FCWGKGKQTDEZIV-FRRDWIJNSA-N 2 0 366.453 0.770 20 0 FCADRP O=C([C@@H]1C[C@@H](N[C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246188307 857570552 /nfs/dbraw/zinc/57/05/52/857570552.db2.gz FCWGKGKQTDEZIV-AGIUHOORSA-N 2 0 366.453 0.770 20 0 FCADRP O=S(=O)(c1ccccc1)N1CCN(CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246278252 857572506 /nfs/dbraw/zinc/57/25/06/857572506.db2.gz UJIUHLDOKOOAKK-UHFFFAOYSA-N 2 0 352.504 0.335 20 0 FCADRP COC(=O)[C@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246328342 857573944 /nfs/dbraw/zinc/57/39/44/857573944.db2.gz LBNYCPSCABNERY-KVDYFSNESA-N 2 0 353.463 0.189 20 0 FCADRP O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246434573 857579011 /nfs/dbraw/zinc/57/90/11/857579011.db2.gz MZUDCQYUBGCEDA-HNNXBMFYSA-N 2 0 350.488 0.410 20 0 FCADRP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1)C1CCOCC1 ZINC001246444518 857579624 /nfs/dbraw/zinc/57/96/24/857579624.db2.gz BWBVIMIHSJCBTC-BRWVUGGUSA-N 2 0 350.507 0.524 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[C@]3(C2)C[NH2+]CCC3(F)F)C[NH2+]1)N1CCSC1 ZINC001246636960 857586857 /nfs/dbraw/zinc/58/68/57/857586857.db2.gz HONNBSVUHJANJR-VNHYZAJKSA-N 2 0 360.474 0.571 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCOC[C@@]4(CCC[NH2+]C4)C3)C[C@H](C1)[NH2+]2 ZINC001246646579 857586918 /nfs/dbraw/zinc/58/69/18/857586918.db2.gz ODYXSSFIMDXCSC-NEJPUZRRSA-N 2 0 351.491 0.761 20 0 FCADRP COC(=O)[C@@H]1CC[C@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620240 857587291 /nfs/dbraw/zinc/58/72/91/857587291.db2.gz XBLAOEBHJLRFQZ-OTJKEOIZSA-N 2 0 353.463 0.143 20 0 FCADRP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246738822 857595399 /nfs/dbraw/zinc/59/53/99/857595399.db2.gz MRAFICZVACMIAX-NUJGCVRESA-N 2 0 350.507 0.191 20 0 FCADRP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736024 857595534 /nfs/dbraw/zinc/59/55/34/857595534.db2.gz LZKMZHQLLGINSQ-VQHPVUNQSA-N 2 0 350.507 0.190 20 0 FCADRP CCN1CC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)[C@@H](COC)C1=O ZINC001246738105 857595786 /nfs/dbraw/zinc/59/57/86/857595786.db2.gz FLQPMNSCEIJWGB-HOTGVXAUSA-N 2 0 350.507 0.287 20 0 FCADRP COCCN1CC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)[C@@H](COC)C1=O ZINC001246747703 857596827 /nfs/dbraw/zinc/59/68/27/857596827.db2.gz MNMQSJANOJUXIP-BBWFWOEESA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[C@@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751430 857598355 /nfs/dbraw/zinc/59/83/55/857598355.db2.gz PIGFBOIPNIBTBK-SJORKVTESA-N 2 0 352.523 0.630 20 0 FCADRP COc1ccc(CN2CC[C@@H](N(CC[NH3+])CC[NH3+])CC2=O)c(OC)c1 ZINC001246830050 857601850 /nfs/dbraw/zinc/60/18/50/857601850.db2.gz HWRWMIHFVYWCOG-OAHLLOKOSA-N 2 0 350.463 0.414 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855914 857603356 /nfs/dbraw/zinc/60/33/56/857603356.db2.gz QXGAUBZEFMKGDC-LDDOYCOJSA-N 2 0 354.447 0.572 20 0 FCADRP Brc1cnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246882040 857604277 /nfs/dbraw/zinc/60/42/77/857604277.db2.gz KTGCHYSCSXUBFI-CYBMUJFWSA-N 2 0 367.295 0.455 20 0 FCADRP C(C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCOC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938777 857606581 /nfs/dbraw/zinc/60/65/81/857606581.db2.gz UAACCLTXZGZFLK-SFHVURJKSA-N 3 0 352.523 0.141 20 0 FCADRP O=S1(=O)CC[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C12C[NH2+]C2 ZINC001247903719 857618682 /nfs/dbraw/zinc/61/86/82/857618682.db2.gz QWBJIQJJNWXVGJ-LLVKDONJSA-N 2 0 361.427 0.021 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001249832355 857649652 /nfs/dbraw/zinc/64/96/52/857649652.db2.gz CTIYKPOWIZCQAH-ZIAGYGMSSA-N 2 0 350.492 0.050 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001249834542 857651197 /nfs/dbraw/zinc/65/11/97/857651197.db2.gz YZBZYWYXANRFPL-UHFFFAOYSA-N 2 0 368.551 0.603 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=S)NCC[NH+](C)C)CC1 ZINC001249834518 857651288 /nfs/dbraw/zinc/65/12/88/857651288.db2.gz YLOQWGQPCGGZRX-UHFFFAOYSA-N 2 0 355.552 0.441 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251402092 857722133 /nfs/dbraw/zinc/72/21/33/857722133.db2.gz MDZXCIIQQWHMQH-GOSISDBHSA-N 2 0 358.527 0.784 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517168 857976354 /nfs/dbraw/zinc/97/63/54/857976354.db2.gz FFRMSFIMBTYEII-MJGOQNOKSA-N 2 0 352.523 0.631 20 0 FCADRP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CCC[N@H+](C)CC1 ZINC001254522736 857976994 /nfs/dbraw/zinc/97/69/94/857976994.db2.gz PPCHDHLJLNKVQX-NXOAAHMSSA-N 2 0 359.536 0.889 20 0 FCADRP O=S(=O)(c1ccccn1)N([C@@H]1CC[NH2+]C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254869782 857989322 /nfs/dbraw/zinc/98/93/22/857989322.db2.gz YGMNYXKYRHOBPN-CVEARBPZSA-N 2 0 350.488 0.919 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1Cc2ccccc2C1 ZINC001255014825 857995606 /nfs/dbraw/zinc/99/56/06/857995606.db2.gz NFSXKOJCORYIEG-UHFFFAOYSA-N 2 0 352.475 0.769 20 0 FCADRP CC(C)(C)OC(=O)C[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256687139 858095387 /nfs/dbraw/zinc/09/53/87/858095387.db2.gz NZCLWOHENHFUNP-NRXISQOPSA-N 2 0 355.479 0.805 20 0 FCADRP C[C@@H](Cc1cccs1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001258084044 858176987 /nfs/dbraw/zinc/17/69/87/858176987.db2.gz XASABKMTNIVLJY-AWEZNQCLSA-N 2 0 354.520 0.747 20 0 FCADRP [NH3+]CCN(CCNC1CC[NH+](CCc2ccccc2)CC1)N(O)N=O ZINC001258137670 858178413 /nfs/dbraw/zinc/17/84/13/858178413.db2.gz MPIDSXZSGRZWDW-UHFFFAOYSA-N 2 0 350.467 0.831 20 0 FCADRP CCC[NH+]1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001258769566 858209936 /nfs/dbraw/zinc/20/99/36/858209936.db2.gz WFMVWVXRVIWPMP-UHFFFAOYSA-N 3 0 361.527 0.476 20 0 FCADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)S(=O)(=O)CC(=O)OC ZINC001259022841 858229776 /nfs/dbraw/zinc/22/97/76/858229776.db2.gz JDDYQHIQIPBPHN-UHFFFAOYSA-N 2 0 351.513 0.475 20 0 FCADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001261492293 858568265 /nfs/dbraw/zinc/56/82/65/858568265.db2.gz YETBCPYNDRTYOY-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001261523376 858578958 /nfs/dbraw/zinc/57/89/58/858578958.db2.gz WJZNNCOEWCUVKH-KXBFYZLASA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23C[NH+](CCN2CCOCC2)C3)CC1 ZINC001279771448 863052667 /nfs/dbraw/zinc/05/26/67/863052667.db2.gz JEKVNXCLKQNVMZ-QGZVFWFLSA-N 2 0 350.507 0.193 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2C[N@H+](CCN2CCOCC2)C3)CC1 ZINC001279772802 863055219 /nfs/dbraw/zinc/05/52/19/863055219.db2.gz SLCQVEVMBFFCBH-VQIMIIECSA-N 2 0 350.507 0.193 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C23CC([NH2+]CCN4CCOCC4)(C2)C3)CC1 ZINC001279773007 863056515 /nfs/dbraw/zinc/05/65/15/863056515.db2.gz XCPPRIKYHJBUSH-UHFFFAOYSA-N 2 0 350.507 0.384 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)CC1 ZINC001262026222 858760452 /nfs/dbraw/zinc/76/04/52/858760452.db2.gz LIQFBTLQBXGGKO-RDJZCZTQSA-N 2 0 350.467 0.446 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591077 859012960 /nfs/dbraw/zinc/01/29/60/859012960.db2.gz FJDSPJJKMYEPTK-HZPDHXFCSA-N 2 0 354.495 0.291 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NCCN1CCC2(C1)OCCO2 ZINC001263644875 859185157 /nfs/dbraw/zinc/18/51/57/859185157.db2.gz YCBZFAQTPVXZBZ-UHFFFAOYSA-N 2 0 352.439 0.015 20 0 FCADRP CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001263896244 859229263 /nfs/dbraw/zinc/22/92/63/859229263.db2.gz SVGVSWYLOQEJNA-CABCVRRESA-N 2 0 365.503 0.401 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001264100810 859312843 /nfs/dbraw/zinc/31/28/43/859312843.db2.gz IJUADJABSMCAOY-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001266285511 859476532 /nfs/dbraw/zinc/47/65/32/859476532.db2.gz BVRNBSHKVWPUMA-KZNAEPCWSA-N 2 0 352.523 0.630 20 0 FCADRP Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001269992552 859624887 /nfs/dbraw/zinc/62/48/87/859624887.db2.gz PBBWMFPOEBBBNF-UHFFFAOYSA-N 2 0 350.492 0.701 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)C[NH+]1CCCC1 ZINC001270095834 859651206 /nfs/dbraw/zinc/65/12/06/859651206.db2.gz OKAFOGWCLKLUHC-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC001270490662 859771057 /nfs/dbraw/zinc/77/10/57/859771057.db2.gz PSPIDCKZDOBGKZ-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001271658689 859988618 /nfs/dbraw/zinc/98/86/18/859988618.db2.gz TZPVTWBFJPVMPD-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272642939 860215878 /nfs/dbraw/zinc/21/58/78/860215878.db2.gz RDHZRKRQNPDJIY-SFHVURJKSA-N 2 0 354.495 0.110 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)C3([NH+](C)C)CC3)CC2)C1=O ZINC001272904106 860295386 /nfs/dbraw/zinc/29/53/86/860295386.db2.gz HCKXFROYYQATRQ-GOSISDBHSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)C3([NH+](C)C)CC3)CC2)C1=O ZINC001272904111 860295643 /nfs/dbraw/zinc/29/56/43/860295643.db2.gz HCKXFROYYQATRQ-SFHVURJKSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001273334180 860456742 /nfs/dbraw/zinc/45/67/42/860456742.db2.gz UVVJWWTXLASCEM-HDICACEKSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)[NH+]1CCCC1 ZINC001273500746 860510014 /nfs/dbraw/zinc/51/00/14/860510014.db2.gz HMHYCJHWZVMTFX-IEBWSBKVSA-N 2 0 352.523 0.726 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273834981 860614153 /nfs/dbraw/zinc/61/41/53/860614153.db2.gz JVBOLWHEHGAZEH-BBWFWOEESA-N 2 0 350.507 0.587 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2CC1 ZINC001274041343 860665494 /nfs/dbraw/zinc/66/54/94/860665494.db2.gz DCHIXWUIYMZTRD-CALCHBBNSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001274156245 860693914 /nfs/dbraw/zinc/69/39/14/860693914.db2.gz AOYUBYWIOVXKQN-SSRUIJIPSA-N 2 0 350.507 0.678 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC2(CC[NH+](CC(=O)N(C)C)C2)CC1 ZINC001274399748 860743089 /nfs/dbraw/zinc/74/30/89/860743089.db2.gz IUNJUUXSVFOPAF-INIZCTEOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001274997162 860895820 /nfs/dbraw/zinc/89/58/20/860895820.db2.gz OXJCLYGSGGBOQR-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1)[NH+](C)C ZINC001275222742 860991658 /nfs/dbraw/zinc/99/16/58/860991658.db2.gz KEKNBBWXAPKCFS-IEBWSBKVSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](CCN1CCOCC1)CC2 ZINC001275288233 861014506 /nfs/dbraw/zinc/01/45/06/861014506.db2.gz WTTGSPHPLZUECY-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001275343556 861038230 /nfs/dbraw/zinc/03/82/30/861038230.db2.gz PWVZUWDTPNHNKW-LJQANCHMSA-N 2 0 350.507 0.923 20 0 FCADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001275511920 861118180 /nfs/dbraw/zinc/11/81/80/861118180.db2.gz OBRGFZQDBNGYRR-ARFHVFGLSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275555573 861126763 /nfs/dbraw/zinc/12/67/63/861126763.db2.gz CRRPCHVBKWGYEG-IAGOWNOFSA-N 2 0 350.507 0.872 20 0 FCADRP O=C1N(CCN2CCOCC2)CC[C@]12CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737844 861181434 /nfs/dbraw/zinc/18/14/34/861181434.db2.gz PIUZWNMTEUPSSR-LJQANCHMSA-N 2 0 350.507 0.385 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001279913458 863131855 /nfs/dbraw/zinc/13/18/55/863131855.db2.gz CPCOVTUYMGTZGS-IDCJVQTKSA-N 2 0 350.507 0.632 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279975301 863162020 /nfs/dbraw/zinc/16/20/20/863162020.db2.gz DQZXDBLWZDHHTI-SFHVURJKSA-N 2 0 369.579 0.689 20 0 FCADRP COC[C@H](C(=O)OC)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001280053683 863223604 /nfs/dbraw/zinc/22/36/04/863223604.db2.gz OHZRNOFTOVQBAV-MRXNPFEDSA-N 2 0 350.463 0.859 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@H+](CC2COC(C)(C)OC2)C3)CC1 ZINC001280125023 863276335 /nfs/dbraw/zinc/27/63/35/863276335.db2.gz AFUPWYLQPKPYQG-DNVCBOLYSA-N 2 0 351.491 0.918 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001280125669 863276422 /nfs/dbraw/zinc/27/64/22/863276422.db2.gz MWOWPAXNTGCNBF-MRXNPFEDSA-N 2 0 350.507 0.635 20 0 FCADRP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126664 863278437 /nfs/dbraw/zinc/27/84/37/863278437.db2.gz YFDZJHVBWOPXEZ-KURKYZTESA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]23)CC1 ZINC001280136852 863286792 /nfs/dbraw/zinc/28/67/92/863286792.db2.gz RYPKOJZQAMCVPV-CWRNSKLLSA-N 2 0 350.463 0.310 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)C[C@H](C)O1 ZINC001280137511 863289535 /nfs/dbraw/zinc/28/95/35/863289535.db2.gz JKYHQWWFKQYXBV-UXLLHSPISA-N 2 0 351.491 0.855 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC[C@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183460 863312644 /nfs/dbraw/zinc/31/26/44/863312644.db2.gz CDIJNXSYGQOIEJ-VDZJLULYSA-N 2 0 351.491 0.545 20 0 FCADRP C[NH+](C)CCN1CC2(C1)CCOC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280219690 863345615 /nfs/dbraw/zinc/34/56/15/863345615.db2.gz VXZXSPSMNAZSFQ-QGZVFWFLSA-N 2 0 352.523 0.439 20 0 FCADRP C[NH+](C)CCN1CCN(CC[NH+]2CCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280223039 863347036 /nfs/dbraw/zinc/34/70/36/863347036.db2.gz HGLLFFUIDRECRO-IBGZPJMESA-N 2 0 351.539 0.300 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256812 863364277 /nfs/dbraw/zinc/36/42/77/863364277.db2.gz LLEAGJSRQBEWEJ-QMTMVMCOSA-N 2 0 350.482 0.515 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001281462893 863519803 /nfs/dbraw/zinc/51/98/03/863519803.db2.gz KIOKYIMAJWGZNU-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001281986924 864022336 /nfs/dbraw/zinc/02/23/36/864022336.db2.gz SCECPONQMMMGHW-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]21 ZINC001289833109 865293309 /nfs/dbraw/zinc/29/33/09/865293309.db2.gz HUBQHPLVYCQPGG-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP COC(=O)[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+](C)C1 ZINC001307847832 866678271 /nfs/dbraw/zinc/67/82/71/866678271.db2.gz NJNCLNLTSQWEIV-OAHLLOKOSA-N 2 0 354.495 0.012 20 0 FCADRP O=C1N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001350908091 866727757 /nfs/dbraw/zinc/72/77/57/866727757.db2.gz AMXDCNIWMGNSMC-YNEHKIRRSA-N 2 0 350.385 0.520 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001350908094 866728132 /nfs/dbraw/zinc/72/81/32/866728132.db2.gz JKQCZFPMXWURON-OAHLLOKOSA-N 2 0 350.511 0.907 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001351129564 866787424 /nfs/dbraw/zinc/78/74/24/866787424.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 0 355.527 0.421 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC001312995612 867224285 /nfs/dbraw/zinc/22/42/85/867224285.db2.gz MFMCUINYRXWUGP-HSZRJFAPSA-N 2 0 360.446 0.432 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@]2(C)CC(C)(C)OC2=O)C[C@H]1C[NH+](C)C ZINC001313423245 867277951 /nfs/dbraw/zinc/27/79/51/867277951.db2.gz SBGVLSNLOTXDGI-LBTNJELSSA-N 2 0 354.495 0.851 20 0 FCADRP 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 ZINC001316615878 867365115 /nfs/dbraw/zinc/36/51/15/867365115.db2.gz PZFLJPAZRQNPKN-VVLHAWIVSA-N 2 0 352.523 0.973 20 0 FCADRP CS(=O)(=O)CC[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001353288143 867388554 /nfs/dbraw/zinc/38/85/54/867388554.db2.gz VYNDUEJPXMHMCN-UHFFFAOYSA-N 2 0 353.488 0.646 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879785 867684409 /nfs/dbraw/zinc/68/44/09/867684409.db2.gz OCXDVPHXMOSHOY-OYLFLEFRSA-N 2 0 352.504 0.691 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC001318696752 867730208 /nfs/dbraw/zinc/73/02/08/867730208.db2.gz SWSGLYSPPXYINP-KLHDSHLOSA-N 2 0 354.495 0.201 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001325386490 869871312 /nfs/dbraw/zinc/87/13/12/869871312.db2.gz RGCFCRZINOAQFU-DZGCQCFKSA-N 2 0 354.495 0.548 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001343453619 870437270 /nfs/dbraw/zinc/43/72/70/870437270.db2.gz QMVRHXLOAQSDDL-UKRRQHHQSA-N 2 0 352.454 0.855 20 0 FCADRP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@H]1CCC[NH2+]C1 ZINC001343715975 870568152 /nfs/dbraw/zinc/56/81/52/870568152.db2.gz GNYOGKIOSFPQEP-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@H]1CCC[NH2+]C1 ZINC001343715974 870568379 /nfs/dbraw/zinc/56/83/79/870568379.db2.gz GNYOGKIOSFPQEP-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC001326968843 870595436 /nfs/dbraw/zinc/59/54/36/870595436.db2.gz OKGSLTSCFLLYLU-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCn1ccc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001326990121 870605159 /nfs/dbraw/zinc/60/51/59/870605159.db2.gz DHFDIEYRDLULNV-UHFFFAOYSA-N 2 0 351.495 0.418 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001344214067 870771518 /nfs/dbraw/zinc/77/15/18/870771518.db2.gz FUFIIADTRCMXGP-NQNKBUKLSA-N 2 0 352.523 0.924 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001327472357 870893530 /nfs/dbraw/zinc/89/35/30/870893530.db2.gz QEVXIZXJFSDEOG-INIZCTEOSA-N 2 0 354.495 0.779 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001327498168 870909605 /nfs/dbraw/zinc/90/96/05/870909605.db2.gz ICEFIRVKVCXNAB-KGLIPLIRSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327522050 870922384 /nfs/dbraw/zinc/92/23/84/870922384.db2.gz YYIYWGGNQJHPED-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001345131355 871202935 /nfs/dbraw/zinc/20/29/35/871202935.db2.gz JCDTYSXPYGFUDO-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001345131354 871203064 /nfs/dbraw/zinc/20/30/64/871203064.db2.gz JCDTYSXPYGFUDO-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1)[NH+](C)C ZINC001345136888 871204798 /nfs/dbraw/zinc/20/47/98/871204798.db2.gz XJZTXOPODNCSNZ-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC001328383656 871398692 /nfs/dbraw/zinc/39/86/92/871398692.db2.gz CSSZCFRPUBEMCF-UHFFFAOYSA-N 2 0 356.511 0.356 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001345964227 871578697 /nfs/dbraw/zinc/57/86/97/871578697.db2.gz CPCLXJGALBWRMY-OWSLCNJRSA-N 2 0 352.523 0.628 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328846844 871663295 /nfs/dbraw/zinc/66/32/95/871663295.db2.gz VSSWOARTYBUQSC-RCCFBDPRSA-N 2 0 352.523 0.759 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001329316785 871949950 /nfs/dbraw/zinc/94/99/50/871949950.db2.gz PZFGTNZEOFRKCM-HZPDHXFCSA-N 2 0 360.524 0.133 20 0 FCADRP C[NH+](C)C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704046 871967230 /nfs/dbraw/zinc/96/72/30/871967230.db2.gz WQKFNBBDQCIPMV-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nnnn1C ZINC001346916397 872061814 /nfs/dbraw/zinc/06/18/14/872061814.db2.gz FALUVNYZHWDXEU-ZIAGYGMSSA-N 2 0 352.487 0.329 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001348480053 872708888 /nfs/dbraw/zinc/70/88/88/872708888.db2.gz FJSOAQCQGOPGCA-SFHVURJKSA-N 2 0 352.523 0.485 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001330691802 872767859 /nfs/dbraw/zinc/76/78/59/872767859.db2.gz RSEVTBMRKAXRPB-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC001348700894 872770211 /nfs/dbraw/zinc/77/02/11/872770211.db2.gz JRXYBGGNKBEXFJ-ZDUSSCGKSA-N 2 0 351.417 0.688 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC001330754456 872795638 /nfs/dbraw/zinc/79/56/38/872795638.db2.gz CJYQBQVFFCSCQR-QGZVFWFLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330776819 872808406 /nfs/dbraw/zinc/80/84/06/872808406.db2.gz AXHUMXLISSOANU-CJNGLKHVSA-N 2 0 350.467 0.100 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001331028074 872920963 /nfs/dbraw/zinc/92/09/63/872920963.db2.gz BHAGGHBTENSQFW-RHSMWYFYSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001331043747 872930498 /nfs/dbraw/zinc/93/04/98/872930498.db2.gz WBXACKLALOEWHZ-ZBEGNZNMSA-N 2 0 354.405 0.966 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C(F)(F)F ZINC001331065855 872942913 /nfs/dbraw/zinc/94/29/13/872942913.db2.gz FVZJTCDEGIOYOV-UTUOFQBUSA-N 2 0 360.384 0.802 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119787 872967803 /nfs/dbraw/zinc/96/78/03/872967803.db2.gz PXTJMZKWAJSQCG-NNXHMXCWSA-N 2 0 350.507 0.870 20 0 FCADRP COCC[C@H]([NH3+])Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC001331228787 873020318 /nfs/dbraw/zinc/02/03/18/873020318.db2.gz VHZCZBADORHIFL-AWEZNQCLSA-N 2 0 352.483 0.173 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453704 873111883 /nfs/dbraw/zinc/11/18/83/873111883.db2.gz OBNMCHKVDZESDL-FUHWJXTLSA-N 2 0 353.511 0.163 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C1CCCC1 ZINC001331496068 873124464 /nfs/dbraw/zinc/12/44/64/873124464.db2.gz HPWZQGGPCLWJEK-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC001331513879 873132003 /nfs/dbraw/zinc/13/20/03/873132003.db2.gz BBPHWKIUNRFGOY-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP CCN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC001331904637 873298304 /nfs/dbraw/zinc/29/83/04/873298304.db2.gz HEQVSWGGXCPEPS-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332077106 873361901 /nfs/dbraw/zinc/36/19/01/873361901.db2.gz MNJYNUSOSFGPIZ-GOSISDBHSA-N 2 0 352.523 0.679 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332077107 873362084 /nfs/dbraw/zinc/36/20/84/873362084.db2.gz MNJYNUSOSFGPIZ-SFHVURJKSA-N 2 0 352.523 0.679 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511496 873537392 /nfs/dbraw/zinc/53/73/92/873537392.db2.gz QHBFSYQQWXMZBQ-LSDHHAIUSA-N 2 0 351.499 0.439 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC001332692368 873618260 /nfs/dbraw/zinc/61/82/60/873618260.db2.gz GJWZCMQAUKKJDG-DJJJIMSYSA-N 2 0 350.507 0.999 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2)CC1 ZINC001333177616 873838505 /nfs/dbraw/zinc/83/85/05/873838505.db2.gz FTPOVHLYPCYOTQ-HOTGVXAUSA-N 2 0 359.536 0.719 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918152 948834751 /nfs/dbraw/zinc/83/47/51/948834751.db2.gz GKNVAHGEHWXPPS-AWEZNQCLSA-N 2 0 372.477 0.724 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926551 949008842 /nfs/dbraw/zinc/00/88/42/949008842.db2.gz ULDLLOQOVGURCK-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001575252387 949162159 /nfs/dbraw/zinc/16/21/59/949162159.db2.gz GCECEPTYHUBRHI-NEPJUHHUSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263818 949407320 /nfs/dbraw/zinc/40/73/20/949407320.db2.gz JWBLHQLZJUAFQF-ZFWWWQNUSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574714070 949618075 /nfs/dbraw/zinc/61/80/75/949618075.db2.gz ZZZHUMGIFPNVNM-IUODEOHRSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283685 949883090 /nfs/dbraw/zinc/88/30/90/949883090.db2.gz GRRWZHIMYYFKOF-STQMWFEESA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574726285 949935771 /nfs/dbraw/zinc/93/57/71/949935771.db2.gz YOZYBUQNEITUJR-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574731365 950046955 /nfs/dbraw/zinc/04/69/55/950046955.db2.gz CUYDMKSZJDFYAK-JHJVBQTASA-N 2 0 358.450 0.283 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196462 950366875 /nfs/dbraw/zinc/36/68/75/950366875.db2.gz FAHOEVJSRVCRJY-ZIAGYGMSSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974253 950403856 /nfs/dbraw/zinc/40/38/56/950403856.db2.gz LOOPZZOJRRXYOO-CVEARBPZSA-N 2 0 355.446 0.509 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205319 950506550 /nfs/dbraw/zinc/50/65/50/950506550.db2.gz XBVBSSKKWHHKNN-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001570981184 950577950 /nfs/dbraw/zinc/57/79/50/950577950.db2.gz FUYIFCABFFCAGE-ZDUSSCGKSA-N 2 0 356.434 0.252 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981174 950579095 /nfs/dbraw/zinc/57/90/95/950579095.db2.gz FKCQUSKKIROLEW-QWHCGFSZSA-N 2 0 356.434 0.038 20 0 FCADRP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576208193 950605671 /nfs/dbraw/zinc/60/56/71/950605671.db2.gz NHMLOPJRCZHZPV-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214572 950675746 /nfs/dbraw/zinc/67/57/46/950675746.db2.gz QBMWWLPXJOYAQE-RRQGHBQHSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[NH+](C)C ZINC001575078550 951682537 /nfs/dbraw/zinc/68/25/37/951682537.db2.gz NIGXTPBUHYDZKU-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081990 951729488 /nfs/dbraw/zinc/72/94/88/951729488.db2.gz WWJBFAMCENXKCU-LBPRGKRZSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092045 951789104 /nfs/dbraw/zinc/78/91/04/951789104.db2.gz YMCNSXYMVJPHNZ-CQSZACIVSA-N 2 0 357.462 0.804 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099024 951827688 /nfs/dbraw/zinc/82/76/88/951827688.db2.gz HEDLJSUBOADZRL-VXGBXAGGSA-N 2 0 363.491 0.722 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001571062733 951956941 /nfs/dbraw/zinc/95/69/41/951956941.db2.gz BEFLZGZQQFTVDU-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001571062735 951957308 /nfs/dbraw/zinc/95/73/08/951957308.db2.gz BEFLZGZQQFTVDU-SJORKVTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063389 951967450 /nfs/dbraw/zinc/96/74/50/951967450.db2.gz LOFPRACHNKMFRS-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571077701 952122553 /nfs/dbraw/zinc/12/25/53/952122553.db2.gz FOEPRPPCCOTCJH-MGPQQGTHSA-N 2 0 370.461 0.427 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078425 952129898 /nfs/dbraw/zinc/12/98/98/952129898.db2.gz QCSFAWPDZVQBHC-DZGCQCFKSA-N 2 0 370.461 0.607 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143828 952157455 /nfs/dbraw/zinc/15/74/55/952157455.db2.gz CWJBEUOWQMSHTK-BBRMVZONSA-N 2 0 372.477 0.815 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1=O ZINC000291900622 214063279 /nfs/dbraw/zinc/06/32/79/214063279.db2.gz PVOZGGKYHHECMI-WBVHZDCISA-N 2 0 364.465 0.955 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000291990183 214070204 /nfs/dbraw/zinc/07/02/04/214070204.db2.gz WMOOCCJAOQFLQZ-KGLIPLIRSA-N 2 0 370.519 0.702 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000292017702 214071605 /nfs/dbraw/zinc/07/16/05/214071605.db2.gz VBMZESHZGRKOIG-HZPDHXFCSA-N 2 0 359.474 0.730 20 0 FCADRP CNC(=O)CC[NH+](C)Cc1cc(C[N@@H+](C)CCC(=O)NC)cc(OC)c1 ZINC000292722709 214118987 /nfs/dbraw/zinc/11/89/87/214118987.db2.gz UQQYLEQLCWJQFA-UHFFFAOYSA-N 2 0 364.490 0.831 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000293153040 214150997 /nfs/dbraw/zinc/15/09/97/214150997.db2.gz HRXMHIHTAKUBDS-SFHVURJKSA-N 2 0 354.414 0.760 20 0 FCADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)nc1)C[NH+](C)C ZINC000293948711 214213945 /nfs/dbraw/zinc/21/39/45/214213945.db2.gz VIRKHBGTMPFLFG-HUUCEWRRSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@H](O)C[NH+](CCO)Cc1cc(C[N@@H+](CCO)C[C@H](C)O)ccc1F ZINC000295256976 214288763 /nfs/dbraw/zinc/28/87/63/214288763.db2.gz XOPYMAONCGVCIQ-GJZGRUSLSA-N 2 0 358.454 0.176 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410555113 529886423 /nfs/dbraw/zinc/88/64/23/529886423.db2.gz GOPKMWAWTDZSFZ-KRWDZBQOSA-N 2 0 350.507 0.875 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000331433006 214995075 /nfs/dbraw/zinc/99/50/75/214995075.db2.gz MMTXFKIWTLWPNJ-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)C2)CC1 ZINC000331496434 215005127 /nfs/dbraw/zinc/00/51/27/215005127.db2.gz AWXPNMIVYOMERW-APWZRJJASA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000331536834 215011544 /nfs/dbraw/zinc/01/15/44/215011544.db2.gz DRBYDSYCHOJNHG-YJBOKZPZSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000331570990 215017539 /nfs/dbraw/zinc/01/75/39/215017539.db2.gz VLIMJDPUXYKLDY-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[NH+](C)C1 ZINC000331700987 215036867 /nfs/dbraw/zinc/03/68/67/215036867.db2.gz XYKDXMDKUBEMFZ-QZWWFDLISA-N 2 0 366.506 0.107 20 0 FCADRP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331718163 215039171 /nfs/dbraw/zinc/03/91/71/215039171.db2.gz PVIAZOSRRJPHOB-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000331783552 215045687 /nfs/dbraw/zinc/04/56/87/215045687.db2.gz MBZRMFZEQMLNIM-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)CC1 ZINC000331770099 215044705 /nfs/dbraw/zinc/04/47/05/215044705.db2.gz DVORCPJOUZRGFC-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000331847988 215056608 /nfs/dbraw/zinc/05/66/08/215056608.db2.gz VNHOYJBYIJVXKO-IKGGRYGDSA-N 2 0 366.506 0.001 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000331852796 215056770 /nfs/dbraw/zinc/05/67/70/215056770.db2.gz WQKJZMOQEYEOIJ-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCCC1 ZINC000332007566 215078769 /nfs/dbraw/zinc/07/87/69/215078769.db2.gz XBEGISNPQLYQAX-XHSDSOJGSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000332040959 215082591 /nfs/dbraw/zinc/08/25/91/215082591.db2.gz JMYUEOVUMDPPAC-BZUAXINKSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)[NH2+]1 ZINC000332082062 215089640 /nfs/dbraw/zinc/08/96/40/215089640.db2.gz NPMZFKDTRPIWEH-WTTBNOFXSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1[NH+](C)C ZINC000332134594 215098747 /nfs/dbraw/zinc/09/87/47/215098747.db2.gz LTFFBBVNVICKRG-BFYDXBDKSA-N 2 0 366.506 0.107 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332130895 215099646 /nfs/dbraw/zinc/09/96/46/215099646.db2.gz DTZYUGZRIYDBDV-ULQDDVLXSA-N 2 0 350.507 0.763 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332162040 215103924 /nfs/dbraw/zinc/10/39/24/215103924.db2.gz QCNJOAQSQQJHJT-WBVHZDCISA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H](C)C1 ZINC000332343393 215133818 /nfs/dbraw/zinc/13/38/18/215133818.db2.gz SOIJRXKNFTURDZ-ALYAQQCSSA-N 2 0 350.507 0.761 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332692312 215204718 /nfs/dbraw/zinc/20/47/18/215204718.db2.gz WQHKQHOTPYTPPK-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000333007090 215222674 /nfs/dbraw/zinc/22/26/74/215222674.db2.gz AHQAIBFPHZHQQJ-SJORKVTESA-N 2 0 369.554 0.499 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144747 215241976 /nfs/dbraw/zinc/24/19/76/215241976.db2.gz ZKNLGOYKEDLQJY-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333486564 215288353 /nfs/dbraw/zinc/28/83/53/215288353.db2.gz CSXPPMHKRSFDRQ-AWEZNQCLSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@H]21 ZINC000333473118 215285543 /nfs/dbraw/zinc/28/55/43/215285543.db2.gz BBWWNIXMAOZJCY-AAVRWANBSA-N 2 0 363.428 0.591 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333499464 215290314 /nfs/dbraw/zinc/29/03/14/215290314.db2.gz FFSTTXHBSFSKDI-HIFRSBDPSA-N 2 0 363.428 0.608 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000333530396 215293719 /nfs/dbraw/zinc/29/37/19/215293719.db2.gz MCUPKPXXESSNGR-QGZVFWFLSA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627435 215303724 /nfs/dbraw/zinc/30/37/24/215303724.db2.gz FZUDFYAIPYCPRO-RCCFBDPRSA-N 2 0 367.538 0.563 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333684432 215307245 /nfs/dbraw/zinc/30/72/45/215307245.db2.gz AFLNSBKOJZYNDY-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333691275 215308756 /nfs/dbraw/zinc/30/87/56/215308756.db2.gz PTWGWSWKYSFMKF-ZDUSSCGKSA-N 2 0 351.417 0.558 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000333771268 215317440 /nfs/dbraw/zinc/31/74/40/215317440.db2.gz RRGVMYGHPAGROV-CALCHBBNSA-N 2 0 368.522 0.728 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851091 215324891 /nfs/dbraw/zinc/32/48/91/215324891.db2.gz QAXZMHOTJSJXHK-IIVZCXTMSA-N 2 0 363.506 0.511 20 0 FCADRP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000360887459 215371981 /nfs/dbraw/zinc/37/19/81/215371981.db2.gz CWKNAZKHOWNPDS-IKGGRYGDSA-N 2 0 353.511 0.032 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000360977257 215377608 /nfs/dbraw/zinc/37/76/08/215377608.db2.gz NCAPVXXAKXHXMZ-SQNIBIBYSA-N 2 0 368.522 0.584 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013886 215379071 /nfs/dbraw/zinc/37/90/71/215379071.db2.gz WQTVKSRDDBJOIE-DLBZAZTESA-N 2 0 355.527 0.422 20 0 FCADRP O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1CCN(CC2CC2)CC1 ZINC000285528618 213353660 /nfs/dbraw/zinc/35/36/60/213353660.db2.gz HDLCBTGHBNSGMZ-UHFFFAOYSA-N 2 0 371.485 0.852 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443029 213342292 /nfs/dbraw/zinc/34/22/92/213342292.db2.gz ZCLOGPUHKBPREQ-HZPDHXFCSA-N 2 0 359.474 0.943 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000930958700 674081872 /nfs/dbraw/zinc/08/18/72/674081872.db2.gz XSPWUHUDPZJGOK-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213953 213303658 /nfs/dbraw/zinc/30/36/58/213303658.db2.gz WGJAPURSPFRMQQ-MSOLQXFVSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000285089127 213281392 /nfs/dbraw/zinc/28/13/92/213281392.db2.gz UVVYFLQELQOMAK-UHFFFAOYSA-N 2 0 359.474 0.373 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000284501068 213154557 /nfs/dbraw/zinc/15/45/57/213154557.db2.gz PYLKVKLIIDLNGF-SFHVURJKSA-N 2 0 373.501 0.715 20 0 FCADRP C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)[C@@H]1CCC[NH2+]C1 ZINC000262519643 209603365 /nfs/dbraw/zinc/60/33/65/209603365.db2.gz XDLRMJYEMBLYNZ-ZIAGYGMSSA-N 2 0 368.503 0.888 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849024 213019954 /nfs/dbraw/zinc/01/99/54/213019954.db2.gz FRSFOCJAAOSIRM-IRXDYDNUSA-N 2 0 362.474 0.242 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000283851099 213019328 /nfs/dbraw/zinc/01/93/28/213019328.db2.gz BGXBGDBVXFUCKX-UHFFFAOYSA-N 2 0 360.502 0.830 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000283842277 213016861 /nfs/dbraw/zinc/01/68/61/213016861.db2.gz BGJKANMLVVSNKP-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000366173956 215942998 /nfs/dbraw/zinc/94/29/98/215942998.db2.gz NHMQRVYTSDYJBH-HZPDHXFCSA-N 2 0 374.485 0.752 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959669 216056653 /nfs/dbraw/zinc/05/66/53/216056653.db2.gz FNPLJSQCIIKZLL-JONQDZQNSA-N 2 0 354.470 0.478 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367027835 216066530 /nfs/dbraw/zinc/06/65/30/216066530.db2.gz HFYMDQAMQZTYPO-SFHVURJKSA-N 2 0 364.534 0.775 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230908 216095037 /nfs/dbraw/zinc/09/50/37/216095037.db2.gz LFEPFYDXPKGENH-DOMZBBRYSA-N 2 0 365.396 0.966 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000367999771 216190984 /nfs/dbraw/zinc/19/09/84/216190984.db2.gz VYJQCCHNNIKRHF-IJEWVQPXSA-N 2 0 355.479 0.615 20 0 FCADRP CN(C(=O)CNc1ccccc1C(N)=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368037642 216194702 /nfs/dbraw/zinc/19/47/02/216194702.db2.gz AIYLVABKAGAWTA-INIZCTEOSA-N 2 0 373.501 0.824 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368188352 216214446 /nfs/dbraw/zinc/21/44/46/216214446.db2.gz CFELCPYYIRKBMR-IRXDYDNUSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000237543641 209353484 /nfs/dbraw/zinc/35/34/84/209353484.db2.gz RWIDRGASZNDAAF-CQSZACIVSA-N 2 0 364.494 0.525 20 0 FCADRP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCC[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327585 /nfs/dbraw/zinc/32/75/85/216327585.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 2 0 362.518 0.938 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368980456 216329040 /nfs/dbraw/zinc/32/90/40/216329040.db2.gz GSLOOAFAGMONSB-ROUUACIJSA-N 2 0 367.538 0.253 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)cn2)CC1 ZINC000278961176 212502131 /nfs/dbraw/zinc/50/21/31/212502131.db2.gz IBQBXZDNBRHKJX-OAHLLOKOSA-N 2 0 369.473 0.563 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H]1CO ZINC000190357675 209270659 /nfs/dbraw/zinc/27/06/59/209270659.db2.gz HFSOOBKPKIKWHZ-IAGOWNOFSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000369400615 216396658 /nfs/dbraw/zinc/39/66/58/216396658.db2.gz IEWFTDQHDGKLEO-SFHVURJKSA-N 2 0 369.554 0.811 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)ccc2oc1=O ZINC000188749061 209239259 /nfs/dbraw/zinc/23/92/59/209239259.db2.gz VPGSLHQRNRPOLV-UHFFFAOYSA-N 2 0 370.413 0.777 20 0 FCADRP C[N@H+](CCCN1C(=O)CNC1=O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188320384 209228512 /nfs/dbraw/zinc/22/85/12/209228512.db2.gz PPDMDKJFROZORP-IBGZPJMESA-N 2 0 360.458 0.497 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188308796 209228539 /nfs/dbraw/zinc/22/85/39/209228539.db2.gz XTXPXKMVTNKRAY-DNVCBOLYSA-N 2 0 362.474 0.789 20 0 FCADRP C[C@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000188356583 209228327 /nfs/dbraw/zinc/22/83/27/209228327.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 0 356.511 0.584 20 0 FCADRP CN(CC(=O)N1CCN(C)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188305827 209228170 /nfs/dbraw/zinc/22/81/70/209228170.db2.gz AOHFWRDIXBLYER-FQEVSTJZSA-N 2 0 360.502 0.329 20 0 FCADRP Nc1cc[nH+]cc1C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000188190856 209226664 /nfs/dbraw/zinc/22/66/64/209226664.db2.gz DIDORDINYSJRSH-OAHLLOKOSA-N 2 0 356.426 0.862 20 0 FCADRP [NH3+]Cc1cc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)co1 ZINC000188190917 209226159 /nfs/dbraw/zinc/22/61/59/209226159.db2.gz LDWBGYBERJIDBW-MRXNPFEDSA-N 2 0 359.426 0.936 20 0 FCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N(C)C ZINC000276710764 212279129 /nfs/dbraw/zinc/27/91/29/212279129.db2.gz PXMSPRXCGOCLQE-HNNXBMFYSA-N 2 0 362.478 0.370 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122892 209224207 /nfs/dbraw/zinc/22/42/07/209224207.db2.gz QJDILPBXNNZDFA-APWZRJJASA-N 2 0 354.539 0.909 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000187467630 209212737 /nfs/dbraw/zinc/21/27/37/209212737.db2.gz PMGFGWAQTDRTMD-UHFFFAOYSA-N 2 0 361.490 0.787 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187191816 209206742 /nfs/dbraw/zinc/20/67/42/209206742.db2.gz PXNYFQOBBIHVQO-INIZCTEOSA-N 2 0 354.495 0.509 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000187090543 209203585 /nfs/dbraw/zinc/20/35/85/209203585.db2.gz QQVRQHAKDBOIHE-UHFFFAOYSA-N 2 0 367.538 0.567 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000373357452 217010466 /nfs/dbraw/zinc/01/04/66/217010466.db2.gz BZNVIPZGXINNMR-QGZVFWFLSA-N 2 0 352.523 0.726 20 0 FCADRP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482126 674116930 /nfs/dbraw/zinc/11/69/30/674116930.db2.gz PJKYCHAOPSSEKJ-UHFFFAOYSA-N 2 0 350.488 0.995 20 0 FCADRP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481681 674116936 /nfs/dbraw/zinc/11/69/36/674116936.db2.gz RBMNZNJCVVLQGK-RVDMUPIBSA-N 2 0 371.503 0.355 20 0 FCADRP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931484721 674117262 /nfs/dbraw/zinc/11/72/62/674117262.db2.gz QDCBXLPWAHKJGH-AWEZNQCLSA-N 2 0 355.479 0.175 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931486937 674117268 /nfs/dbraw/zinc/11/72/68/674117268.db2.gz MGURLHQEVOVFRK-OAHLLOKOSA-N 2 0 355.479 0.177 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000414750607 245317767 /nfs/dbraw/zinc/31/77/67/245317767.db2.gz YHZBTDVKEPJLFN-MRXNPFEDSA-N 2 0 362.449 0.667 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414809026 245324368 /nfs/dbraw/zinc/32/43/68/245324368.db2.gz FXKHHFFSVVTAPT-UHFFFAOYSA-N 2 0 364.446 0.144 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414942741 245336976 /nfs/dbraw/zinc/33/69/76/245336976.db2.gz MWWIHBLBCAWTGO-KRWDZBQOSA-N 2 0 362.474 0.744 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)c(C)c2)CC1 ZINC000415293863 245378980 /nfs/dbraw/zinc/37/89/80/245378980.db2.gz DXNXHJYUEZCVMU-INIZCTEOSA-N 2 0 373.501 0.896 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1COCCN1C1CCCC1 ZINC000373526409 217029137 /nfs/dbraw/zinc/02/91/37/217029137.db2.gz CRHXRPSEWZIPEU-ZWKOTPCHSA-N 2 0 353.507 0.983 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc2c(s1)CCC2 ZINC000931581536 674120867 /nfs/dbraw/zinc/12/08/67/674120867.db2.gz NQOQJCWGNAFYGX-UHFFFAOYSA-N 2 0 367.519 0.200 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1=O ZINC000374398668 217124434 /nfs/dbraw/zinc/12/44/34/217124434.db2.gz KNMVFWMISZBUJO-LTIDMASMSA-N 2 0 366.506 0.107 20 0 FCADRP Cc1nccc(N2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000183799310 209152229 /nfs/dbraw/zinc/15/22/29/209152229.db2.gz GJUSIBKBVCWTCS-UHFFFAOYSA-N 2 0 360.506 0.896 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000416835183 245644500 /nfs/dbraw/zinc/64/45/00/245644500.db2.gz TULXEXUIXSPSKN-INIZCTEOSA-N 2 0 353.511 0.888 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417033433 245664976 /nfs/dbraw/zinc/66/49/76/245664976.db2.gz RAJBUOYVXWCAPJ-QGZVFWFLSA-N 2 0 367.538 0.995 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418608125 245804409 /nfs/dbraw/zinc/80/44/09/245804409.db2.gz DGVHHRBXTJOCEJ-CHWSQXEVSA-N 2 0 351.417 0.654 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419103980 245983531 /nfs/dbraw/zinc/98/35/31/245983531.db2.gz GUWFFVSFSWYKPQ-HNNXBMFYSA-N 2 0 350.438 0.714 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000419106466 245985072 /nfs/dbraw/zinc/98/50/72/245985072.db2.gz JVFPOZNWLMBAKR-OAHLLOKOSA-N 2 0 364.465 0.962 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419129920 246005174 /nfs/dbraw/zinc/00/51/74/246005174.db2.gz DSBRYXXMJBMNAK-SOLBZPMBSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419153757 246019373 /nfs/dbraw/zinc/01/93/73/246019373.db2.gz QGCNDZUGUSMCRD-GOEBONIOSA-N 2 0 362.474 0.439 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419153382 246019875 /nfs/dbraw/zinc/01/98/75/246019875.db2.gz PSERJIBUKBAKEI-ZBFHGGJFSA-N 2 0 360.458 0.064 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419151143 246020664 /nfs/dbraw/zinc/02/06/64/246020664.db2.gz NDHSEYHILGBUGC-ZIAGYGMSSA-N 2 0 350.488 0.636 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419157691 246021239 /nfs/dbraw/zinc/02/12/39/246021239.db2.gz VUHASCXPNFWHJV-MRXNPFEDSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000419156212 246022094 /nfs/dbraw/zinc/02/20/94/246022094.db2.gz SNRAEESHHKJCMC-DLBZAZTESA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419131083 246007661 /nfs/dbraw/zinc/00/76/61/246007661.db2.gz CBPXZAIXWNOLLP-HOTGVXAUSA-N 2 0 362.474 0.629 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419131115 246007931 /nfs/dbraw/zinc/00/79/31/246007931.db2.gz CDDPXCMYNJKMPN-CALCHBBNSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419132325 246007942 /nfs/dbraw/zinc/00/79/42/246007942.db2.gz HHQXWRVKOULNRJ-MJBXVCDLSA-N 2 0 356.511 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419131329 246007961 /nfs/dbraw/zinc/00/79/61/246007961.db2.gz GQEZLIVTOOMXCX-SOLBZPMBSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419136147 246010780 /nfs/dbraw/zinc/01/07/80/246010780.db2.gz ORUDPZOPYOYBOM-AWEZNQCLSA-N 2 0 350.488 0.554 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419139979 246010931 /nfs/dbraw/zinc/01/09/31/246010931.db2.gz VGHHEGQWXHGRNE-XLIONFOSSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419140871 246013300 /nfs/dbraw/zinc/01/33/00/246013300.db2.gz WMLUDZMZTSFZBR-QRVBRYPASA-N 2 0 370.497 0.835 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419146090 246015451 /nfs/dbraw/zinc/01/54/51/246015451.db2.gz HLRQEZNWVYUESP-HRCADAONSA-N 2 0 354.495 0.188 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419148729 246017938 /nfs/dbraw/zinc/01/79/38/246017938.db2.gz KKFHMWRULIWIIO-IBGZPJMESA-N 2 0 362.474 0.441 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165930 246028681 /nfs/dbraw/zinc/02/86/81/246028681.db2.gz GXEBZZSMOFNLON-OALUTQOASA-N 2 0 372.513 0.878 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164496 246029376 /nfs/dbraw/zinc/02/93/76/246029376.db2.gz MCGLYMJKPFJINJ-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419166898 246031257 /nfs/dbraw/zinc/03/12/57/246031257.db2.gz HZKLRNJRXMTCMF-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419172822 246031618 /nfs/dbraw/zinc/03/16/18/246031618.db2.gz RRHFYEASIQEHEE-MOPGFXCFSA-N 2 0 372.513 0.783 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419172823 246032814 /nfs/dbraw/zinc/03/28/14/246032814.db2.gz RRHFYEASIQEHEE-OALUTQOASA-N 2 0 372.513 0.783 20 0 FCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000419180212 246037671 /nfs/dbraw/zinc/03/76/71/246037671.db2.gz AEEPNSRCKZRWER-UHFFFAOYSA-N 2 0 358.486 0.967 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419182647 246040008 /nfs/dbraw/zinc/04/00/08/246040008.db2.gz CSSLPXDTKYICCR-APWZRJJASA-N 2 0 370.497 0.896 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000419183426 246040339 /nfs/dbraw/zinc/04/03/39/246040339.db2.gz MHPMIWMQGXAIKW-JKSUJKDBSA-N 2 0 352.479 0.086 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419217834 246061253 /nfs/dbraw/zinc/06/12/53/246061253.db2.gz RHSVFZNYFAYWJS-INIZCTEOSA-N 2 0 350.463 0.343 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419225456 246065499 /nfs/dbraw/zinc/06/54/99/246065499.db2.gz HBQNBHJRRBVQDW-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419197612 246048623 /nfs/dbraw/zinc/04/86/23/246048623.db2.gz XYLWJYNJZJRNSX-CYBMUJFWSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419199607 246048956 /nfs/dbraw/zinc/04/89/56/246048956.db2.gz DTWRNWHQVMGWFS-ZBFHGGJFSA-N 2 0 362.474 0.439 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000419201811 246051438 /nfs/dbraw/zinc/05/14/38/246051438.db2.gz GNWHILYZNCMGIJ-CVEARBPZSA-N 2 0 362.474 0.629 20 0 FCADRP CCN(CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)CCC(F)(F)F ZINC000419206369 246053185 /nfs/dbraw/zinc/05/31/85/246053185.db2.gz KNABZZSWACOPGN-UHFFFAOYSA-N 2 0 366.428 0.835 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000419205313 246053477 /nfs/dbraw/zinc/05/34/77/246053477.db2.gz JWBSVZXACJGLMR-RKVPGOIHSA-N 2 0 374.485 0.390 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419208013 246054990 /nfs/dbraw/zinc/05/49/90/246054990.db2.gz NQIDMTZBPZGVAI-JFIYKMOQSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419274896 246084942 /nfs/dbraw/zinc/08/49/42/246084942.db2.gz YIRAGXVSXYODSO-RTBURBONSA-N 2 0 370.497 0.967 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419275178 246086099 /nfs/dbraw/zinc/08/60/99/246086099.db2.gz COWQYQMQKQSAND-QWHCGFSZSA-N 2 0 365.453 0.218 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000419265821 246081182 /nfs/dbraw/zinc/08/11/82/246081182.db2.gz FIUVJGNQHMKIPV-QGZVFWFLSA-N 2 0 362.474 0.331 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000419344880 246105291 /nfs/dbraw/zinc/10/52/91/246105291.db2.gz SMNCOYSZFIRNAY-LSDHHAIUSA-N 2 0 359.474 0.371 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419296745 246089369 /nfs/dbraw/zinc/08/93/69/246089369.db2.gz FJNUFZJLXWCGQY-ZDUSSCGKSA-N 2 0 365.453 0.090 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419374813 246122263 /nfs/dbraw/zinc/12/22/63/246122263.db2.gz PIZMXPYJUHTSIY-CRAIPNDOSA-N 2 0 372.513 0.930 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419370724 246122760 /nfs/dbraw/zinc/12/27/60/246122760.db2.gz HRRMIGNEDIXEMX-HNNXBMFYSA-N 2 0 358.486 0.270 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000419376051 246124476 /nfs/dbraw/zinc/12/44/76/246124476.db2.gz RKRZWXKBBGHRIW-KRWDZBQOSA-N 2 0 358.486 0.542 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419378513 246124503 /nfs/dbraw/zinc/12/45/03/246124503.db2.gz VSBVGKUGEXSNIJ-SJORKVTESA-N 2 0 352.523 0.975 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC[NH2+]CC1 ZINC000419377122 246125594 /nfs/dbraw/zinc/12/55/94/246125594.db2.gz SXDBNRTVGSGTRG-UHFFFAOYSA-N 2 0 358.486 0.412 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419412475 246146242 /nfs/dbraw/zinc/14/62/42/246146242.db2.gz CIIGRHGTACGZJI-TWMKSMIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419413610 246146576 /nfs/dbraw/zinc/14/65/76/246146576.db2.gz SFXJAEQXVUIZEE-GPMSIDNRSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000419412418 246147411 /nfs/dbraw/zinc/14/74/11/246147411.db2.gz QUHVJSDBSGDNLJ-HNNXBMFYSA-N 2 0 350.438 0.755 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000419412616 246147459 /nfs/dbraw/zinc/14/74/59/246147459.db2.gz RBBZYNOUMGTNBY-HOTGVXAUSA-N 2 0 350.438 0.884 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000419416153 246149781 /nfs/dbraw/zinc/14/97/81/246149781.db2.gz WBMFLQUUESFZLT-INIZCTEOSA-N 2 0 350.438 0.742 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCO1 ZINC000419417022 246150315 /nfs/dbraw/zinc/15/03/15/246150315.db2.gz HPROIHAXEHDVIT-ROUUACIJSA-N 2 0 374.485 0.516 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419416555 246150388 /nfs/dbraw/zinc/15/03/88/246150388.db2.gz WIJJIOXEHACVAX-DLBZAZTESA-N 2 0 368.522 0.722 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000419399496 246133762 /nfs/dbraw/zinc/13/37/62/246133762.db2.gz ZBLXRJRNCDATCD-HNNXBMFYSA-N 2 0 360.502 0.911 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419403207 246137437 /nfs/dbraw/zinc/13/74/37/246137437.db2.gz CWZCNESUCIYPRL-ROUUACIJSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000419401393 246137638 /nfs/dbraw/zinc/13/76/38/246137638.db2.gz BARWZSRFRXLEFO-QAPCUYQASA-N 2 0 350.438 0.742 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000419405049 246139883 /nfs/dbraw/zinc/13/98/83/246139883.db2.gz HCCCSYGDBUKXNW-JKSUJKDBSA-N 2 0 366.437 0.039 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419407949 246140870 /nfs/dbraw/zinc/14/08/70/246140870.db2.gz LALSANCJYGWWLP-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409507 246141541 /nfs/dbraw/zinc/14/15/41/246141541.db2.gz FDAUSJPMFZWNLA-SQNIBIBYSA-N 2 0 374.485 0.260 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419411927 246144365 /nfs/dbraw/zinc/14/43/65/246144365.db2.gz CDMUDLCLSWDKLB-RBUKOAKNSA-N 2 0 370.497 0.619 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000419421142 246154957 /nfs/dbraw/zinc/15/49/57/246154957.db2.gz LGUWKFIZEUCPGR-IYBDPMFKSA-N 2 0 358.486 0.760 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419424426 246157029 /nfs/dbraw/zinc/15/70/29/246157029.db2.gz OAAQIZBNLYOBBX-MRXNPFEDSA-N 2 0 358.486 0.667 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419430511 246158049 /nfs/dbraw/zinc/15/80/49/246158049.db2.gz VXPXZAPZYRCJJX-ZACQAIPSSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000419433964 246161311 /nfs/dbraw/zinc/16/13/11/246161311.db2.gz ZUIVLPBKBWLYDI-QGZVFWFLSA-N 2 0 360.502 0.911 20 0 FCADRP [NH3+]C1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000419419332 246152131 /nfs/dbraw/zinc/15/21/31/246152131.db2.gz JGOIITWRSIFMKZ-UHFFFAOYSA-N 2 0 358.486 0.937 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000419517007 246188628 /nfs/dbraw/zinc/18/86/28/246188628.db2.gz VRMDYMNBCIFPRO-KRWDZBQOSA-N 2 0 373.501 0.183 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1CC1 ZINC000419528066 246192289 /nfs/dbraw/zinc/19/22/89/246192289.db2.gz VYTMGPZDMYFVAF-DOTOQJQBSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470495 246174203 /nfs/dbraw/zinc/17/42/03/246174203.db2.gz FLRXDFROEZVNAS-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419475489 246176725 /nfs/dbraw/zinc/17/67/25/246176725.db2.gz DVFJTKCHJRRSRK-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419475857 246176766 /nfs/dbraw/zinc/17/67/66/246176766.db2.gz FNNWHGZHEBEGQM-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419477001 246177186 /nfs/dbraw/zinc/17/71/86/246177186.db2.gz HDHBKQGANRGUPH-BBWFWOEESA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419561749 246201526 /nfs/dbraw/zinc/20/15/26/246201526.db2.gz UCYAEQDDFROWFU-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000419650362 246231702 /nfs/dbraw/zinc/23/17/02/246231702.db2.gz CVDMDZNQPPPXCI-NQYYFHDYSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419653488 246231787 /nfs/dbraw/zinc/23/17/87/246231787.db2.gz QWMHQNOCULAUTB-ZBFHGGJFSA-N 2 0 362.474 0.418 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000419670312 246238563 /nfs/dbraw/zinc/23/85/63/246238563.db2.gz WSUSSNSDUICDQD-LSDHHAIUSA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000419680847 246247007 /nfs/dbraw/zinc/24/70/07/246247007.db2.gz HSDRRTCKOLIKKS-MRXNPFEDSA-N 2 0 366.506 0.381 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000419690595 246251088 /nfs/dbraw/zinc/25/10/88/246251088.db2.gz KWJVIMPBZZVFPV-UHFFFAOYSA-N 2 0 354.520 0.332 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000419689582 246253020 /nfs/dbraw/zinc/25/30/20/246253020.db2.gz JFPSVPBZSRQYMR-LSDHHAIUSA-N 2 0 368.547 0.721 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419709935 246263790 /nfs/dbraw/zinc/26/37/90/246263790.db2.gz PMMRHOQEJBCWSF-NXHRZFHOSA-N 2 0 374.485 0.260 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419717848 246267937 /nfs/dbraw/zinc/26/79/37/246267937.db2.gz VHPAKOUJRTWIMB-ARFHVFGLSA-N 2 0 354.495 0.332 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CCCC2)CC1 ZINC000419753287 246284190 /nfs/dbraw/zinc/28/41/90/246284190.db2.gz NRNOWXLAZHFZPH-INIZCTEOSA-N 2 0 366.506 0.380 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CCCC2)CC1 ZINC000419759978 246288616 /nfs/dbraw/zinc/28/86/16/246288616.db2.gz YVMVQVJKBYIQIU-OAHLLOKOSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419768660 246290483 /nfs/dbraw/zinc/29/04/83/246290483.db2.gz DACMQGRNUVCVIX-BFHYXJOUSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000419766910 246291430 /nfs/dbraw/zinc/29/14/30/246291430.db2.gz ZMEVKWAAOBOXNC-GDBMZVCRSA-N 2 0 364.465 0.817 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419771518 246291658 /nfs/dbraw/zinc/29/16/58/246291658.db2.gz XSOHOMBHNVKKCX-QZTJIDSGSA-N 2 0 358.486 0.867 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419773586 246294239 /nfs/dbraw/zinc/29/42/39/246294239.db2.gz ZSDNZLLOEBSJGD-QZTJIDSGSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000419795937 246298227 /nfs/dbraw/zinc/29/82/27/246298227.db2.gz MDWUVHYHYSJQRE-XWTMOSNGSA-N 2 0 358.486 0.991 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000419799976 246299350 /nfs/dbraw/zinc/29/93/50/246299350.db2.gz GIGSAIOIBNMABK-INIZCTEOSA-N 2 0 365.522 0.003 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814846 246305310 /nfs/dbraw/zinc/30/53/10/246305310.db2.gz KKKSITJCGMEEOA-NVXWUHKLSA-N 2 0 360.458 0.508 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419816987 246305724 /nfs/dbraw/zinc/30/57/24/246305724.db2.gz LSTKHCOHNLAUGK-ROUUACIJSA-N 2 0 374.485 0.802 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814848 246306005 /nfs/dbraw/zinc/30/60/05/246306005.db2.gz KKKSITJCGMEEOA-WBVHZDCISA-N 2 0 360.458 0.508 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419871144 246338757 /nfs/dbraw/zinc/33/87/57/246338757.db2.gz KCPQNWGBHDYPIF-UHFFFAOYSA-N 2 0 361.490 0.872 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419837458 246312271 /nfs/dbraw/zinc/31/22/71/246312271.db2.gz CXIYQJXGBHJTQP-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419840064 246313933 /nfs/dbraw/zinc/31/39/33/246313933.db2.gz IGIRSGNEVFADBJ-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419840062 246314067 /nfs/dbraw/zinc/31/40/67/246314067.db2.gz IGIRSGNEVFADBJ-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCCC1 ZINC000419840785 246314184 /nfs/dbraw/zinc/31/41/84/246314184.db2.gz ZLUQOIFZKPCVFU-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838031 246314678 /nfs/dbraw/zinc/31/46/78/246314678.db2.gz DXYMMQWICKSDLY-AWEZNQCLSA-N 2 0 368.428 0.723 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419844314 246316741 /nfs/dbraw/zinc/31/67/41/246316741.db2.gz CAMOVLSBOOKFPS-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000419846707 246318881 /nfs/dbraw/zinc/31/88/81/246318881.db2.gz AHIIYTAOTHBAEN-QFBILLFUSA-N 2 0 367.538 0.025 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419856468 246327022 /nfs/dbraw/zinc/32/70/22/246327022.db2.gz FEEHUVZKQMXWPK-INIZCTEOSA-N 2 0 368.428 0.709 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)CC1 ZINC000419858794 246328387 /nfs/dbraw/zinc/32/83/87/246328387.db2.gz XPIKXRXEVVUCQD-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419863126 246333511 /nfs/dbraw/zinc/33/35/11/246333511.db2.gz NKJFGINXAPUVLD-INIZCTEOSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419865907 246335429 /nfs/dbraw/zinc/33/54/29/246335429.db2.gz BOJKFZRQICKRHR-QLFBSQMISA-N 2 0 352.479 0.084 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000419869440 246336953 /nfs/dbraw/zinc/33/69/53/246336953.db2.gz BMYKOEIQCVRICH-JKSUJKDBSA-N 2 0 364.490 0.983 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000419909250 246364426 /nfs/dbraw/zinc/36/44/26/246364426.db2.gz FZNVKPLAMKVHQZ-XJKSGUPXSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419918371 246367619 /nfs/dbraw/zinc/36/76/19/246367619.db2.gz UMEDSCDPBZDNDM-CQSZACIVSA-N 2 0 352.504 0.754 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419877982 246346472 /nfs/dbraw/zinc/34/64/72/246346472.db2.gz RICOZKRVXYYEBE-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419889173 246351788 /nfs/dbraw/zinc/35/17/88/246351788.db2.gz GSZRCENDAOPTBM-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419893937 246355856 /nfs/dbraw/zinc/35/58/56/246355856.db2.gz MZTPJFBHEOWQSS-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000419895120 246356139 /nfs/dbraw/zinc/35/61/39/246356139.db2.gz OPONFHKDDLYHMV-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000419906103 246362598 /nfs/dbraw/zinc/36/25/98/246362598.db2.gz YPKXCOIEESNPAA-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000419969817 246393515 /nfs/dbraw/zinc/39/35/15/246393515.db2.gz CVTWAHNQFDBQJG-KRWDZBQOSA-N 2 0 364.490 0.685 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)o1 ZINC000419973800 246395540 /nfs/dbraw/zinc/39/55/40/246395540.db2.gz HBBSNSMJQCJXDG-OAHLLOKOSA-N 2 0 352.479 0.968 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419936647 246378922 /nfs/dbraw/zinc/37/89/22/246378922.db2.gz LTLYZOVCAIXPQU-AQFXKWCLSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000420061329 246444694 /nfs/dbraw/zinc/44/46/94/246444694.db2.gz QYDFEWKMMKPTRK-QGZVFWFLSA-N 2 0 366.506 0.191 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423086625 246960601 /nfs/dbraw/zinc/96/06/01/246960601.db2.gz NPUHLKOJIKNXKC-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000423164744 246971692 /nfs/dbraw/zinc/97/16/92/246971692.db2.gz AABOOPRFNZMUCW-CABCVRRESA-N 2 0 350.463 0.674 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000423381381 247016037 /nfs/dbraw/zinc/01/60/37/247016037.db2.gz ZOEZTCTVIGJHJF-CQSZACIVSA-N 2 0 350.463 0.756 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423308558 247001373 /nfs/dbraw/zinc/00/13/73/247001373.db2.gz OUGUVIQRBIPOPT-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423569413 247057320 /nfs/dbraw/zinc/05/73/20/247057320.db2.gz FUMFVVBWDBATMI-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423590998 247065989 /nfs/dbraw/zinc/06/59/89/247065989.db2.gz FEVQQBCJZIAJDH-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000423595249 247067759 /nfs/dbraw/zinc/06/77/59/247067759.db2.gz PPECWHYSTWIMPH-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423437752 247026806 /nfs/dbraw/zinc/02/68/06/247026806.db2.gz GPPWCSXOYZXXMN-BPQIPLTHSA-N 2 0 358.486 0.740 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423438656 247027251 /nfs/dbraw/zinc/02/72/51/247027251.db2.gz HCWNMWUWLHZBSZ-FJIDUMEYSA-N 2 0 362.518 0.763 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423442739 247028344 /nfs/dbraw/zinc/02/83/44/247028344.db2.gz ZNMQYAKJNKHCCA-GVDBMIGSSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000423452379 247029655 /nfs/dbraw/zinc/02/96/55/247029655.db2.gz WCSUUDFKOGHVOS-MRXNPFEDSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423471407 247032385 /nfs/dbraw/zinc/03/23/85/247032385.db2.gz WXFDWOSWGYFXNV-AEFFLSMTSA-N 2 0 358.486 0.917 20 0 FCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423481541 247034621 /nfs/dbraw/zinc/03/46/21/247034621.db2.gz WZSDPHXPEALECO-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423520170 247042161 /nfs/dbraw/zinc/04/21/61/247042161.db2.gz QXXUHWVISDSDNJ-INIZCTEOSA-N 2 0 368.522 0.391 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423605209 247072266 /nfs/dbraw/zinc/07/22/66/247072266.db2.gz JKMWAYDHGNQHJM-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423607667 247072448 /nfs/dbraw/zinc/07/24/48/247072448.db2.gz JULWWLMVEHYZDJ-UKRRQHHQSA-N 2 0 352.504 0.834 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624810 247081540 /nfs/dbraw/zinc/08/15/40/247081540.db2.gz DQHMBSKYCNYVHZ-WIYYLYMNSA-N 2 0 370.497 0.918 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423632126 247086401 /nfs/dbraw/zinc/08/64/01/247086401.db2.gz NSIZMXRYFPJFFL-IPMKNSEASA-N 2 0 370.497 0.774 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640288 247087787 /nfs/dbraw/zinc/08/77/87/247087787.db2.gz WDEBKBAOKYPEGF-YLJYHZDGSA-N 2 0 356.470 0.671 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423646499 247090801 /nfs/dbraw/zinc/09/08/01/247090801.db2.gz UQWOPSKOTZCYFS-RYQLBKOJSA-N 2 0 356.470 0.397 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423647177 247090860 /nfs/dbraw/zinc/09/08/60/247090860.db2.gz XFDJRZAEVFFGOG-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H](C)C[NH2+]1 ZINC000423658202 247097282 /nfs/dbraw/zinc/09/72/82/247097282.db2.gz XIXTXXKVOIJTGW-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423664169 247102101 /nfs/dbraw/zinc/10/21/01/247102101.db2.gz OUZRFHGIGREFQR-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@@H]1C[NH3+] ZINC000423716518 247121795 /nfs/dbraw/zinc/12/17/95/247121795.db2.gz AAUWWCHULNWFNF-HYVNUMGLSA-N 2 0 350.507 0.763 20 0 FCADRP [NH3+]C1(CNC(=O)CN2CSCC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000424020818 247159839 /nfs/dbraw/zinc/15/98/39/247159839.db2.gz QAAMJLKVBWVYNU-UHFFFAOYSA-N 2 0 362.499 0.629 20 0 FCADRP CC[NH+](CC)CCN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000423727804 247128458 /nfs/dbraw/zinc/12/84/58/247128458.db2.gz KXXIQVOSFDYHSE-HZPDHXFCSA-N 2 0 359.536 0.876 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423734429 247133224 /nfs/dbraw/zinc/13/32/24/247133224.db2.gz QXWNHLWDLWSCLA-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC[NH2+]CC2 ZINC000424285088 247196381 /nfs/dbraw/zinc/19/63/81/247196381.db2.gz FBXVFFUUDFIOSK-CYBMUJFWSA-N 2 0 366.487 0.737 20 0 FCADRP NC(=O)c1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000424019867 247161402 /nfs/dbraw/zinc/16/14/02/247161402.db2.gz NAKGJVRULJTHDK-UHFFFAOYSA-N 2 0 367.453 0.904 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424162538 247174347 /nfs/dbraw/zinc/17/43/47/247174347.db2.gz XCHATEYHVKXWNK-MRXNPFEDSA-N 2 0 362.522 0.880 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000424484174 247234995 /nfs/dbraw/zinc/23/49/95/247234995.db2.gz ZZIGVHPFYKJCAJ-UHFFFAOYSA-N 2 0 356.511 0.755 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424541165 247257948 /nfs/dbraw/zinc/25/79/48/247257948.db2.gz HFXASBXLATYESB-OKZBNKHCSA-N 2 0 358.486 0.819 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425382275 247327432 /nfs/dbraw/zinc/32/74/32/247327432.db2.gz HIQNXMYJSALFTB-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)C1=O ZINC000425314561 247320832 /nfs/dbraw/zinc/32/08/32/247320832.db2.gz VGCFDRNFPPEURD-RTBURBONSA-N 2 0 372.513 0.971 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000429424952 247645241 /nfs/dbraw/zinc/64/52/41/247645241.db2.gz DQFXQJNYEMYLIA-OAHLLOKOSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000439202412 248113875 /nfs/dbraw/zinc/11/38/75/248113875.db2.gz FSRKGZRWGNSBTM-CVEARBPZSA-N 2 0 354.495 0.236 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NCC(C)(C)N2CCOCC2)CC1(C)C ZINC000440984178 248229838 /nfs/dbraw/zinc/22/98/38/248229838.db2.gz IKZWIIMCYAURLJ-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442607158 248293488 /nfs/dbraw/zinc/29/34/88/248293488.db2.gz GYRHNZMGKBOHCZ-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@](C)=O)CC1 ZINC000442714273 248293697 /nfs/dbraw/zinc/29/36/97/248293697.db2.gz JOGZYJDIBUAZLT-MYYSRTQBSA-N 2 0 358.552 0.955 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443072479 248306044 /nfs/dbraw/zinc/30/60/44/248306044.db2.gz NNTPSEWKUUFCQM-OAHLLOKOSA-N 2 0 368.503 0.054 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630471 248333677 /nfs/dbraw/zinc/33/36/77/248333677.db2.gz JXCCLMQOVTVXTC-RDJZCZTQSA-N 2 0 367.538 0.911 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000443650875 248334872 /nfs/dbraw/zinc/33/48/72/248334872.db2.gz INFBPVWDLKJABQ-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444271960 248354024 /nfs/dbraw/zinc/35/40/24/248354024.db2.gz UWIJCWLKRBJWTF-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867586 248378145 /nfs/dbraw/zinc/37/81/45/248378145.db2.gz WURACDWFLCCETA-OAHLLOKOSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(C)(C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000452566568 249323044 /nfs/dbraw/zinc/32/30/44/249323044.db2.gz XWFUVODJJRCBTI-LVQVYYBASA-N 2 0 352.523 0.783 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270710399 211251211 /nfs/dbraw/zinc/25/12/11/211251211.db2.gz LCNMUKVPOJLEAL-UHFFFAOYSA-N 2 0 367.494 0.790 20 0 FCADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007384 250020757 /nfs/dbraw/zinc/02/07/57/250020757.db2.gz BJGPXUFQWVZRQI-GOEBONIOSA-N 2 0 363.458 0.914 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000472978541 250191163 /nfs/dbraw/zinc/19/11/63/250191163.db2.gz NXNOMILXLRWFSX-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP CCN(C)C(=O)[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000473924772 250257903 /nfs/dbraw/zinc/25/79/03/250257903.db2.gz WGYAPLGSRSWSNU-HZPDHXFCSA-N 2 0 355.527 0.911 20 0 FCADRP CC(C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCN(C)CC1 ZINC000481018328 250309204 /nfs/dbraw/zinc/30/92/04/250309204.db2.gz DPZINDSRKNULCE-AEFFLSMTSA-N 2 0 371.595 0.995 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481700373 250350393 /nfs/dbraw/zinc/35/03/93/250350393.db2.gz ZBFNMTFLAHBVRB-FUHWJXTLSA-N 2 0 371.595 0.997 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000481804351 250361193 /nfs/dbraw/zinc/36/11/93/250361193.db2.gz DYGWZEYIVWARJT-PNBKFKSVSA-N 2 0 350.507 0.822 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481858550 250368192 /nfs/dbraw/zinc/36/81/92/250368192.db2.gz VQWDNIDUNQYJMX-HOTGVXAUSA-N 2 0 356.511 0.260 20 0 FCADRP CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482009039 250375214 /nfs/dbraw/zinc/37/52/14/250375214.db2.gz UAKSVXUCJBFEDP-ZFWWWQNUSA-N 2 0 362.540 0.093 20 0 FCADRP CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482009037 250375299 /nfs/dbraw/zinc/37/52/99/250375299.db2.gz UAKSVXUCJBFEDP-UKRRQHHQSA-N 2 0 362.540 0.093 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000482370328 250388115 /nfs/dbraw/zinc/38/81/15/250388115.db2.gz ICOIYQZYERWZSH-IBGZPJMESA-N 2 0 360.502 0.975 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+](C)C1 ZINC000413111559 532993916 /nfs/dbraw/zinc/99/39/16/532993916.db2.gz UGXCRVQSGTTZIY-ARFHVFGLSA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC[N@H+](C)C1 ZINC000413456980 532998109 /nfs/dbraw/zinc/99/81/09/532998109.db2.gz KTDCJEXGYVCONY-HZPDHXFCSA-N 2 0 354.495 0.997 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000075889343 208062253 /nfs/dbraw/zinc/06/22/53/208062253.db2.gz QMSVQAGCTHWWPG-SFHVURJKSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077594365 208073894 /nfs/dbraw/zinc/07/38/94/208073894.db2.gz MIVLHZAKULHGTJ-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCNC(=O)C1 ZINC000092821633 208147753 /nfs/dbraw/zinc/14/77/53/208147753.db2.gz RQMFJTDVGLJOPH-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176641138 209009076 /nfs/dbraw/zinc/00/90/76/209009076.db2.gz TXPFWFIELIUENH-AWEZNQCLSA-N 2 0 365.478 0.936 20 0 FCADRP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)[C@H]1CC[NH2+]C1 ZINC000178890659 209063592 /nfs/dbraw/zinc/06/35/92/209063592.db2.gz KAHNFBLAPBJNHT-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413150819 533478899 /nfs/dbraw/zinc/47/88/99/533478899.db2.gz VWBOPAUUJSQZPG-CVEARBPZSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+](C)C1 ZINC000413483316 533479797 /nfs/dbraw/zinc/47/97/97/533479797.db2.gz AAPNEKUQEGLKGE-GOEBONIOSA-N 2 0 352.479 0.750 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000410173005 533493806 /nfs/dbraw/zinc/49/38/06/533493806.db2.gz VUZRQZDMHZIELF-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413189846 533569798 /nfs/dbraw/zinc/56/97/98/533569798.db2.gz JAHXWGLLEQJRCD-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C(C[NH+]1CC[C@@H](C2OCCO2)C1)OCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932002891 674161161 /nfs/dbraw/zinc/16/11/61/674161161.db2.gz KMSHQXLHSDRJLM-HZPDHXFCSA-N 2 0 356.463 0.393 20 0 FCADRP Cc1nn(C)cc1C1=NO[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000932033381 674163522 /nfs/dbraw/zinc/16/35/22/674163522.db2.gz BIGCAGZAPUEXCR-INIZCTEOSA-N 2 0 350.467 0.173 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000179282281 209076416 /nfs/dbraw/zinc/07/64/16/209076416.db2.gz VAPFAJGWOHHOJY-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000114047208 229169426 /nfs/dbraw/zinc/16/94/26/229169426.db2.gz QWKUKVSPKDFJLA-UHFFFAOYSA-N 2 0 362.474 0.914 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410441123 230080834 /nfs/dbraw/zinc/08/08/34/230080834.db2.gz XZYIXYOZFAHOFP-VQIMIIECSA-N 2 0 366.506 0.110 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410439717 230080962 /nfs/dbraw/zinc/08/09/62/230080962.db2.gz WGXMLMFOOAOKAK-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410479385 230097773 /nfs/dbraw/zinc/09/77/73/230097773.db2.gz UAAJZYIUMQQXEX-RDJZCZTQSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497912 230104575 /nfs/dbraw/zinc/10/45/75/230104575.db2.gz LMNMRRZZAJNZRV-WBVHZDCISA-N 2 0 373.501 0.896 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000562795649 491189475 /nfs/dbraw/zinc/18/94/75/491189475.db2.gz PSIDTBBNUKLNRM-QGZVFWFLSA-N 2 0 361.490 0.583 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000562803662 491190218 /nfs/dbraw/zinc/19/02/18/491190218.db2.gz DAMPAUWRVGNKIT-YTQUADARSA-N 2 0 359.518 0.925 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1(C)C ZINC000328242442 488921645 /nfs/dbraw/zinc/92/16/45/488921645.db2.gz AHXIKPSOIWKCOF-FRQCXROJSA-N 2 0 354.539 0.907 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC1 ZINC000287957750 488926027 /nfs/dbraw/zinc/92/60/27/488926027.db2.gz YHALWPRBHXDORE-UHFFFAOYSA-N 2 0 372.513 0.802 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000364177177 488930662 /nfs/dbraw/zinc/93/06/62/488930662.db2.gz YPPVWIBPCGWUIV-ZACQAIPSSA-N 2 0 365.522 0.317 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CC=CCC3)cn2)CC1 ZINC000279754082 488966415 /nfs/dbraw/zinc/96/64/15/488966415.db2.gz YHRIAVJRRSFJGY-UHFFFAOYSA-N 2 0 358.490 0.895 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609284 488353348 /nfs/dbraw/zinc/35/33/48/488353348.db2.gz JJGRFPCVLZJVNK-QZTJIDSGSA-N 2 0 370.538 0.735 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936754 488374726 /nfs/dbraw/zinc/37/47/26/488374726.db2.gz OHKWOXXTIUBXAB-KZNAEPCWSA-N 2 0 366.506 0.603 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345390 488390793 /nfs/dbraw/zinc/39/07/93/488390793.db2.gz WSHMTXPZPPJVAA-HOTGVXAUSA-N 2 0 353.511 0.555 20 0 FCADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)NC(=O)NC1CC1 ZINC000182975223 488391077 /nfs/dbraw/zinc/39/10/77/488391077.db2.gz SAKQRDAFVXSQCQ-UHFFFAOYSA-N 2 0 352.479 0.799 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000074345142 488391167 /nfs/dbraw/zinc/39/11/67/488391167.db2.gz YOFYLORJKLLGOU-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074877876 488394469 /nfs/dbraw/zinc/39/44/69/488394469.db2.gz JJFYCEVCCZMPAG-AEFFLSMTSA-N 2 0 351.539 0.996 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184511084 488396720 /nfs/dbraw/zinc/39/67/20/488396720.db2.gz IQSWCCYCLXGLOD-FUHWJXTLSA-N 2 0 354.539 0.922 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000562837553 491195401 /nfs/dbraw/zinc/19/54/01/491195401.db2.gz OANIKGPKCFPLAE-CPUCHLNUSA-N 2 0 356.536 0.529 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000184963872 488398832 /nfs/dbraw/zinc/39/88/32/488398832.db2.gz XYGZDYGLWNPCRM-SFHVURJKSA-N 2 0 362.518 0.794 20 0 FCADRP C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682511 488402466 /nfs/dbraw/zinc/40/24/66/488402466.db2.gz VBSIAQJDIYCZME-GJZGRUSLSA-N 2 0 369.535 0.941 20 0 FCADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824725 491196004 /nfs/dbraw/zinc/19/60/04/491196004.db2.gz DSVWRCKKIJYPSY-SJORKVTESA-N 2 0 369.473 0.754 20 0 FCADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000080061238 488433600 /nfs/dbraw/zinc/43/36/00/488433600.db2.gz DCVVXEUYMREGOM-HNNXBMFYSA-N 2 0 359.478 0.853 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)cn2)CC1 ZINC000236999027 488453707 /nfs/dbraw/zinc/45/37/07/488453707.db2.gz WIGDVWQGXBBTPE-KRWDZBQOSA-N 2 0 361.490 0.608 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000238100207 488458769 /nfs/dbraw/zinc/45/87/69/488458769.db2.gz XPZKTKZJWSHDND-IBGZPJMESA-N 2 0 356.470 0.640 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000246868463 488477697 /nfs/dbraw/zinc/47/76/97/488477697.db2.gz CXGZOVJTSHTBDZ-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093125035 488478346 /nfs/dbraw/zinc/47/83/46/488478346.db2.gz XEJOIGOEEYYVML-GOSISDBHSA-N 2 0 360.506 0.843 20 0 FCADRP CN(C(=O)COCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000247446413 488485704 /nfs/dbraw/zinc/48/57/04/488485704.db2.gz PVWUBWPNDUYJEI-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000269307760 488489760 /nfs/dbraw/zinc/48/97/60/488489760.db2.gz UVYZJCDBMRQGJI-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103297090 488500956 /nfs/dbraw/zinc/50/09/56/488500956.db2.gz SZKBCEQBVAHYJJ-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000104800790 488506084 /nfs/dbraw/zinc/50/60/84/488506084.db2.gz JYDKDCWJDGXQLN-INIZCTEOSA-N 2 0 374.489 0.501 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000105115457 488507778 /nfs/dbraw/zinc/50/77/78/488507778.db2.gz SCSNHVDVPAMDTF-UHFFFAOYSA-N 2 0 360.506 0.974 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1 ZINC000569926679 491203840 /nfs/dbraw/zinc/20/38/40/491203840.db2.gz PILUMXHKOASGJU-SJORKVTESA-N 2 0 363.506 0.465 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000252465312 488518087 /nfs/dbraw/zinc/51/80/87/488518087.db2.gz PXERICONMHBQNW-OAGGEKHMSA-N 2 0 354.495 0.012 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)COC1CCOCC1 ZINC000563011634 491207877 /nfs/dbraw/zinc/20/78/77/491207877.db2.gz NFINADRONMZJMY-MOPGFXCFSA-N 2 0 364.486 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000108559800 488519203 /nfs/dbraw/zinc/51/92/03/488519203.db2.gz WTHALAFMUFXAAJ-MRXNPFEDSA-N 2 0 361.494 0.240 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261646729 488528983 /nfs/dbraw/zinc/52/89/83/488528983.db2.gz ADDCTYMPVRBUTI-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261687028 488530989 /nfs/dbraw/zinc/53/09/89/488530989.db2.gz CYJRSVFWLVRKLS-CABCVRRESA-N 2 0 363.462 0.892 20 0 FCADRP O=C(CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705314 488531916 /nfs/dbraw/zinc/53/19/16/488531916.db2.gz PDMOJMBVGNFVLD-NWDGAFQWSA-N 2 0 350.385 0.245 20 0 FCADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261736162 488533729 /nfs/dbraw/zinc/53/37/29/488533729.db2.gz KCIATWNFYNSFRV-LJQANCHMSA-N 2 0 372.513 0.950 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261799758 488536717 /nfs/dbraw/zinc/53/67/17/488536717.db2.gz IUXHQWXIPRSERD-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676366 488537444 /nfs/dbraw/zinc/53/74/44/488537444.db2.gz IUXVVCZDUWZODD-DOMZBBRYSA-N 2 0 354.476 0.324 20 0 FCADRP C[NH+](C)C[C@H]1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000113514941 488538321 /nfs/dbraw/zinc/53/83/21/488538321.db2.gz YFNXQWAYJSXVNT-CQSZACIVSA-N 2 0 350.438 0.918 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000261907955 488541108 /nfs/dbraw/zinc/54/11/08/488541108.db2.gz INQGYEZEJLVLHZ-YSVLISHTSA-N 2 0 364.465 0.868 20 0 FCADRP O=C(CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916533 488541437 /nfs/dbraw/zinc/54/14/37/488541437.db2.gz UNOBSQHLCLXBCP-SJORKVTESA-N 2 0 359.474 0.278 20 0 FCADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000261999282 488545503 /nfs/dbraw/zinc/54/55/03/488545503.db2.gz PAZJAOGMTMHCGG-MRXNPFEDSA-N 2 0 360.506 0.835 20 0 FCADRP C[C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000262031310 488546769 /nfs/dbraw/zinc/54/67/69/488546769.db2.gz PKCJQPSIHLKYJJ-MCIONIFRSA-N 2 0 350.429 0.965 20 0 FCADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262123266 488552073 /nfs/dbraw/zinc/55/20/73/488552073.db2.gz MKURNTXYMRSXNZ-QGZVFWFLSA-N 2 0 363.506 0.931 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262156410 488554442 /nfs/dbraw/zinc/55/44/42/488554442.db2.gz IAZQRWYNAQTKPJ-KRWDZBQOSA-N 2 0 363.506 0.921 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308183 488562966 /nfs/dbraw/zinc/56/29/66/488562966.db2.gz YMXHBDJTUREVLT-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262313532 488563525 /nfs/dbraw/zinc/56/35/25/488563525.db2.gz QQNQNCYTWDMVAE-INIZCTEOSA-N 2 0 360.458 0.830 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262370190 488566639 /nfs/dbraw/zinc/56/66/39/488566639.db2.gz LNMUNLISQQHQCD-UHFFFAOYSA-N 2 0 369.487 0.732 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000262441610 488570399 /nfs/dbraw/zinc/57/03/99/488570399.db2.gz VAACIHNYXSSZKL-QGZVFWFLSA-N 2 0 360.458 0.701 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262473951 488572017 /nfs/dbraw/zinc/57/20/17/488572017.db2.gz YQFJENWJKFQELC-FQEVSTJZSA-N 2 0 371.529 0.554 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000123147464 488583161 /nfs/dbraw/zinc/58/31/61/488583161.db2.gz JRCDAIJFMBFVOT-UHFFFAOYSA-N 2 0 357.524 0.752 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1(C)C ZINC000262803267 488594612 /nfs/dbraw/zinc/59/46/12/488594612.db2.gz RQYJLXJHVUKVHU-FRQCXROJSA-N 2 0 354.539 0.909 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000126383332 488609195 /nfs/dbraw/zinc/60/91/95/488609195.db2.gz HPLMMTVAHDAJDV-INIZCTEOSA-N 2 0 351.495 0.989 20 0 FCADRP Cn1cc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000263690247 488619205 /nfs/dbraw/zinc/61/92/05/488619205.db2.gz GKWJCJCTCCYKIX-UHFFFAOYSA-N 2 0 357.462 0.827 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000129419832 488630941 /nfs/dbraw/zinc/63/09/41/488630941.db2.gz HIZILNLFXNAOSP-QGZVFWFLSA-N 2 0 360.506 0.927 20 0 FCADRP Cc1noc(C2CC2)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130534503 488638164 /nfs/dbraw/zinc/63/81/64/488638164.db2.gz WRSRJGXQGBISDP-UHFFFAOYSA-N 2 0 351.451 0.751 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131898597 488648938 /nfs/dbraw/zinc/64/89/38/488648938.db2.gz RBNYJGNQGAYKKD-GOSISDBHSA-N 2 0 350.463 0.158 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000132063266 488650472 /nfs/dbraw/zinc/65/04/72/488650472.db2.gz JIHWDWFVYMAEAS-MAUKXSAKSA-N 2 0 358.486 0.747 20 0 FCADRP Cn1ccnc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000273451501 488652173 /nfs/dbraw/zinc/65/21/73/488652173.db2.gz YUNHJIDMOIYFTC-UHFFFAOYSA-N 2 0 371.445 0.509 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133533763 488660410 /nfs/dbraw/zinc/66/04/10/488660410.db2.gz JFVIPOKLNRFSBT-OAHLLOKOSA-N 2 0 364.494 0.764 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccs1 ZINC000264524612 488682512 /nfs/dbraw/zinc/68/25/12/488682512.db2.gz XCTDNBSRMGBXPT-ZIAGYGMSSA-N 2 0 367.519 0.990 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152395997 488717254 /nfs/dbraw/zinc/71/72/54/488717254.db2.gz JEDZPRJLKWTBNY-CQSZACIVSA-N 2 0 368.503 0.936 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1cccnc1 ZINC000264834776 488717500 /nfs/dbraw/zinc/71/75/00/488717500.db2.gz JUVWMTOQRNKOQJ-SFHVURJKSA-N 2 0 355.442 0.839 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000563141099 491220632 /nfs/dbraw/zinc/22/06/32/491220632.db2.gz BAGUAUKVKPPKKO-SFHVURJKSA-N 2 0 358.486 0.919 20 0 FCADRP COC(=O)Cn1cc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC000156194034 488763174 /nfs/dbraw/zinc/76/31/74/488763174.db2.gz FXNPRDOTDJCQFF-UHFFFAOYSA-N 2 0 351.451 0.038 20 0 FCADRP CCc1cnc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000563147450 491220852 /nfs/dbraw/zinc/22/08/52/491220852.db2.gz APADXBIHFLOVIW-UHFFFAOYSA-N 2 0 369.535 0.616 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506275 488778469 /nfs/dbraw/zinc/77/84/69/488778469.db2.gz ODIRAKFDYCPHSE-IAGOWNOFSA-N 2 0 367.538 0.911 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)CC1 ZINC000162679708 488804428 /nfs/dbraw/zinc/80/44/28/488804428.db2.gz DMRXJLLLLBKMBD-LJQANCHMSA-N 2 0 359.518 0.932 20 0 FCADRP O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000166185944 488811437 /nfs/dbraw/zinc/81/14/37/488811437.db2.gz HFASCUIDKAQLMX-MRXNPFEDSA-N 2 0 360.458 0.687 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000166186857 488811521 /nfs/dbraw/zinc/81/15/21/488811521.db2.gz ZRQLZALXOIEOCZ-KRWDZBQOSA-N 2 0 360.458 0.829 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000167212383 488812163 /nfs/dbraw/zinc/81/21/63/488812163.db2.gz PJYFODOWTVNSSS-ZWKOTPCHSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000170882764 488817427 /nfs/dbraw/zinc/81/74/27/488817427.db2.gz MGKNHBUNZOVVEW-UHFFFAOYSA-N 2 0 365.522 0.809 20 0 FCADRP Cc1nc2n(n1)C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000171088180 488819654 /nfs/dbraw/zinc/81/96/54/488819654.db2.gz FENCGJCQJLEJTA-INIZCTEOSA-N 2 0 365.526 0.816 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171202612 488821011 /nfs/dbraw/zinc/82/10/11/488821011.db2.gz GNVQNYLUMBZWHP-UHFFFAOYSA-N 2 0 364.494 0.211 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000171658014 488825605 /nfs/dbraw/zinc/82/56/05/488825605.db2.gz QBEAWIRAFPWOHI-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173147798 488841284 /nfs/dbraw/zinc/84/12/84/488841284.db2.gz JYAXXSDHZXLEJU-INIZCTEOSA-N 2 0 356.511 0.755 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173228375 488841698 /nfs/dbraw/zinc/84/16/98/488841698.db2.gz VSUFUFCGNZOHNK-QGZVFWFLSA-N 2 0 374.485 0.867 20 0 FCADRP CN1Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2C1 ZINC000173230156 488841854 /nfs/dbraw/zinc/84/18/54/488841854.db2.gz SJOXYNBXULKZFT-OAHLLOKOSA-N 2 0 372.469 0.751 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000173398129 488842519 /nfs/dbraw/zinc/84/25/19/488842519.db2.gz NEHNAGFLIYPUGR-KRWDZBQOSA-N 2 0 356.511 0.849 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000173396179 488842557 /nfs/dbraw/zinc/84/25/57/488842557.db2.gz KCUMZJCMNFBNSU-KRWDZBQOSA-N 2 0 369.554 0.670 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000174745535 488850921 /nfs/dbraw/zinc/85/09/21/488850921.db2.gz NCXXIFQGCFFSLC-WMZOPIPTSA-N 2 0 356.511 0.489 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000175728720 488855294 /nfs/dbraw/zinc/85/52/94/488855294.db2.gz JUJLGUNPERJGDE-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000279972992 488977985 /nfs/dbraw/zinc/97/79/85/488977985.db2.gz YDHRFUZYDKXJSB-ZDUSSCGKSA-N 2 0 353.492 0.317 20 0 FCADRP C[NH+]1CCCN(C(=O)c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000329344796 488995436 /nfs/dbraw/zinc/99/54/36/488995436.db2.gz UJWHYBSTMFZCCR-UHFFFAOYSA-N 2 0 359.474 0.637 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364787380 489002410 /nfs/dbraw/zinc/00/24/10/489002410.db2.gz BWIOZTWMCGEHNE-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@@H+]1C1CC1 ZINC000570245347 491227767 /nfs/dbraw/zinc/22/77/67/491227767.db2.gz VWXGZWKQLWQQHS-HUUCEWRRSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@H]([C@H](C)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCOCC1 ZINC000365327476 489064401 /nfs/dbraw/zinc/06/44/01/489064401.db2.gz OUEAZKVJEKXLGQ-KSZLIROESA-N 2 0 367.538 0.517 20 0 FCADRP O=C([C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365354365 489067115 /nfs/dbraw/zinc/06/71/15/489067115.db2.gz KDGOVBDEOLHONQ-JWXAEQQXSA-N 2 0 374.529 0.824 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000289573718 489078186 /nfs/dbraw/zinc/07/81/86/489078186.db2.gz HLRKMUOPSIINLC-AWEZNQCLSA-N 2 0 360.462 0.739 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000289875595 489099375 /nfs/dbraw/zinc/09/93/75/489099375.db2.gz LXQADADDEHTCAW-QGZVFWFLSA-N 2 0 362.474 0.331 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000281839101 489109937 /nfs/dbraw/zinc/10/99/37/489109937.db2.gz STSIVVXBFYGURH-UHFFFAOYSA-N 2 0 363.506 0.778 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)[C@H]2C1 ZINC000290608713 489152646 /nfs/dbraw/zinc/15/26/46/489152646.db2.gz RQYXZQGECSULIW-OAGGEKHMSA-N 2 0 357.458 0.329 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000366173957 489154746 /nfs/dbraw/zinc/15/47/46/489154746.db2.gz NHMQRVYTSDYJBH-JKSUJKDBSA-N 2 0 374.485 0.752 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000366788362 489199490 /nfs/dbraw/zinc/19/94/90/489199490.db2.gz OECNIBPKHPOTLC-AWEZNQCLSA-N 2 0 350.467 0.992 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]C1 ZINC000331371299 489202818 /nfs/dbraw/zinc/20/28/18/489202818.db2.gz AYNGQFHUGFZVRI-IBGZPJMESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331382303 489204028 /nfs/dbraw/zinc/20/40/28/489204028.db2.gz JKEXCFRXAYUBJH-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331382300 489204183 /nfs/dbraw/zinc/20/41/83/489204183.db2.gz JKEXCFRXAYUBJH-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP COCCOC[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000297536410 489207148 /nfs/dbraw/zinc/20/71/48/489207148.db2.gz PMWLBLQUAJOKGP-HXUWFJFHSA-N 2 0 365.518 0.760 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297572105 489210320 /nfs/dbraw/zinc/21/03/20/489210320.db2.gz ADRROEXJZPKZLZ-UHFFFAOYSA-N 2 0 350.463 0.722 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC000331442551 489212132 /nfs/dbraw/zinc/21/21/32/489212132.db2.gz VYGOWTVKQQIVED-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000331447980 489212435 /nfs/dbraw/zinc/21/24/35/489212435.db2.gz SPAJTBJGBCJXMQ-YYIAUSFCSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000369356446 489230226 /nfs/dbraw/zinc/23/02/26/489230226.db2.gz XCELJXIPFMDORI-LJQANCHMSA-N 2 0 360.502 0.885 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C)C1 ZINC000332838090 489237862 /nfs/dbraw/zinc/23/78/62/489237862.db2.gz GRUWOMQRZKBGPP-IAGOWNOFSA-N 2 0 368.522 0.728 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000332895178 489243906 /nfs/dbraw/zinc/24/39/06/489243906.db2.gz IKWSBSTZCGQTSU-HZPDHXFCSA-N 2 0 355.527 0.109 20 0 FCADRP CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCOCC1 ZINC000332981229 489254197 /nfs/dbraw/zinc/25/41/97/489254197.db2.gz NLZCYCMSHVZAGU-IRXDYDNUSA-N 2 0 368.522 0.774 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000369831006 489280092 /nfs/dbraw/zinc/28/00/92/489280092.db2.gz ISCUFUOGMBPRBH-SFHVURJKSA-N 2 0 367.538 0.565 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369860787 489283781 /nfs/dbraw/zinc/28/37/81/489283781.db2.gz HPWRTSMXFGJVBH-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000283706309 489293272 /nfs/dbraw/zinc/29/32/72/489293272.db2.gz IWQXTDHRJQSRRY-UHFFFAOYSA-N 2 0 361.490 0.872 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698771 489363306 /nfs/dbraw/zinc/36/33/06/489363306.db2.gz CDCWLIHNSABFDX-YJBOKZPZSA-N 2 0 370.497 0.590 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473936 489364434 /nfs/dbraw/zinc/36/44/34/489364434.db2.gz TZKRMOOWAFNNJU-IDCNUPLLSA-N 2 0 362.518 0.918 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370481593 489365022 /nfs/dbraw/zinc/36/50/22/489365022.db2.gz VJVBHRLNOMAGJQ-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286209286 489368820 /nfs/dbraw/zinc/36/88/20/489368820.db2.gz SLPKMWQMEXPXFE-HXUWFJFHSA-N 2 0 371.529 0.705 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000298898533 489379392 /nfs/dbraw/zinc/37/93/92/489379392.db2.gz AUZQEMJETYSBDM-UHFFFAOYSA-N 2 0 365.478 0.761 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000370601150 489380976 /nfs/dbraw/zinc/38/09/76/489380976.db2.gz FOSVDJKVTBBUOK-INIZCTEOSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000286603177 489408945 /nfs/dbraw/zinc/40/89/45/489408945.db2.gz XGRVTBDYXXDEOG-OAHLLOKOSA-N 2 0 361.490 0.871 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000299205672 489417492 /nfs/dbraw/zinc/41/74/92/489417492.db2.gz VJQQZIFZJPMPFC-UHFFFAOYSA-N 2 0 370.444 0.875 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000563609243 491257913 /nfs/dbraw/zinc/25/79/13/491257913.db2.gz XPWLSUKDCNMXHC-SFHVURJKSA-N 2 0 362.474 0.901 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371025721 489439933 /nfs/dbraw/zinc/43/99/33/489439933.db2.gz BDPOXIFZMKRSBF-ZWKOTPCHSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363389900 489461691 /nfs/dbraw/zinc/46/16/91/489461691.db2.gz OCKMZEYDEGCGNV-ZWKOTPCHSA-N 3 0 369.554 0.765 20 0 FCADRP C[C@@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+](C)CC1 ZINC000363413443 489464303 /nfs/dbraw/zinc/46/43/03/489464303.db2.gz CJUDYUYFRSEQQT-KRWDZBQOSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587956 489489341 /nfs/dbraw/zinc/48/93/41/489489341.db2.gz IMHQSNCNSGHBCQ-AEFFLSMTSA-N 2 0 365.522 0.343 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596117 491256846 /nfs/dbraw/zinc/25/68/46/491256846.db2.gz IOWIEIYWHRAMES-SFHVURJKSA-N 2 0 373.501 0.582 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](N3CCNC3=O)C2)CC1 ZINC000371639041 489491571 /nfs/dbraw/zinc/49/15/71/489491571.db2.gz BDMYFEKYDHHWNV-INIZCTEOSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423092226 489492999 /nfs/dbraw/zinc/49/29/99/489492999.db2.gz AZNFAXBOGZSTSX-HNNXBMFYSA-N 2 0 364.465 0.784 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423158509 489498279 /nfs/dbraw/zinc/49/82/79/489498279.db2.gz CXPUYIYVLFVMFS-ZWKOTPCHSA-N 2 0 373.501 0.844 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000423167020 489498796 /nfs/dbraw/zinc/49/87/96/489498796.db2.gz RSYKAUQJHWJVQU-CZUORRHYSA-N 2 0 350.438 0.522 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000423168423 489498951 /nfs/dbraw/zinc/49/89/51/489498951.db2.gz HIYMXHKWMQOJQN-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP COC(=O)c1coc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414486916 489500511 /nfs/dbraw/zinc/50/05/11/489500511.db2.gz RKHLRISDYLEQNV-UHFFFAOYSA-N 2 0 351.447 0.952 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000423199420 489502092 /nfs/dbraw/zinc/50/20/92/489502092.db2.gz BKEOJJRZHBEFGJ-YOEHRIQHSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423203450 489502217 /nfs/dbraw/zinc/50/22/17/489502217.db2.gz MSOXCFOUHUTTSV-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423201372 489502373 /nfs/dbraw/zinc/50/23/73/489502373.db2.gz IJSNEXBABOFTJO-CQSZACIVSA-N 2 0 368.428 0.675 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000423205829 489502648 /nfs/dbraw/zinc/50/26/48/489502648.db2.gz PRTMVTYBUTYDFH-CQSZACIVSA-N 2 0 350.438 0.536 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CCCc2ccccc2)CC[NH+](C)C)C[C@H]1[NH3+] ZINC000423208576 489503037 /nfs/dbraw/zinc/50/30/37/489503037.db2.gz ZGRHDUZDSSQTLQ-SJLPKXTDSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423237043 489506506 /nfs/dbraw/zinc/50/65/06/489506506.db2.gz HXEFRUYQLOCAPU-GOSISDBHSA-N 2 0 358.486 0.917 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423258447 489507657 /nfs/dbraw/zinc/50/76/57/489507657.db2.gz MCRPJWISYDFZOY-RTBURBONSA-N 2 0 372.513 0.953 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423265440 489508914 /nfs/dbraw/zinc/50/89/14/489508914.db2.gz RAXQKRXSVODFEM-HZPDHXFCSA-N 2 0 356.511 0.247 20 0 FCADRP C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000451659707 489514591 /nfs/dbraw/zinc/51/45/91/489514591.db2.gz FOUNPNVUGSSERU-ZIFCJYIRSA-N 2 0 362.518 0.792 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415371597 489515816 /nfs/dbraw/zinc/51/58/16/489515816.db2.gz TUGGFKGBUNYIQA-UHFFFAOYSA-N 2 0 350.488 0.900 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415388651 489517086 /nfs/dbraw/zinc/51/70/86/489517086.db2.gz YNPGQNNEILSHAU-INIZCTEOSA-N 2 0 373.501 0.944 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415395863 489517848 /nfs/dbraw/zinc/51/78/48/489517848.db2.gz OSMYTKNJHOYUDO-MRXNPFEDSA-N 2 0 373.501 0.883 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000563633952 491260192 /nfs/dbraw/zinc/26/01/92/491260192.db2.gz BLNQVPNDXDVBCV-NEPJUHHUSA-N 2 0 365.400 0.214 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415443334 489521884 /nfs/dbraw/zinc/52/18/84/489521884.db2.gz QXOZEECAZAULQD-KRWDZBQOSA-N 2 0 361.490 0.472 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2)CC1 ZINC000415512788 489526054 /nfs/dbraw/zinc/52/60/54/489526054.db2.gz VDRUQUQLHJMYJQ-HNNXBMFYSA-N 2 0 361.490 0.867 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415511716 489526407 /nfs/dbraw/zinc/52/64/07/489526407.db2.gz QUBJNEKWZVQUAI-LLVKDONJSA-N 2 0 356.854 0.930 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c(C)c2)CC1 ZINC000415543415 489527890 /nfs/dbraw/zinc/52/78/90/489527890.db2.gz XGINQYNPJAEDJV-QGZVFWFLSA-N 2 0 373.501 0.929 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000415539058 489528002 /nfs/dbraw/zinc/52/80/02/489528002.db2.gz LEJADCVORYRNLJ-QGZVFWFLSA-N 2 0 359.474 0.226 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)c2)CC1 ZINC000415542238 489528088 /nfs/dbraw/zinc/52/80/88/489528088.db2.gz PPIMFJRBBBZWLU-HZPDHXFCSA-N 2 0 373.501 0.963 20 0 FCADRP O=C1OC[C@H]2C[N@H+](CCCCC[NH+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371998487 489533790 /nfs/dbraw/zinc/53/37/90/489533790.db2.gz LDUXOTZVPYAZSM-GASCZTMLSA-N 2 0 352.435 0.430 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1)C1CC1 ZINC000415601607 489534987 /nfs/dbraw/zinc/53/49/87/489534987.db2.gz PUDGDZFTLSRTJQ-KRWDZBQOSA-N 2 0 360.458 0.448 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415644550 489539430 /nfs/dbraw/zinc/53/94/30/489539430.db2.gz KYLDQFHBSPLYHW-SJLPKXTDSA-N 2 0 373.501 0.759 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415659425 489539988 /nfs/dbraw/zinc/53/99/88/489539988.db2.gz RBZKFHWDAFIXKF-OAHLLOKOSA-N 2 0 361.490 0.487 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000415820202 489555290 /nfs/dbraw/zinc/55/52/90/489555290.db2.gz AOCTWFRFSNSAMW-UHFFFAOYSA-N 2 0 362.478 0.689 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415826125 489556345 /nfs/dbraw/zinc/55/63/45/489556345.db2.gz ZVPTYGXNBWJIQB-CABCVRRESA-N 2 0 368.441 1.054 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415861684 489560693 /nfs/dbraw/zinc/56/06/93/489560693.db2.gz JIZOOLMTIMLVOP-QGZVFWFLSA-N 2 0 360.458 0.368 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000372234404 489562042 /nfs/dbraw/zinc/56/20/42/489562042.db2.gz UZOBYBJVYUXCCC-YYIAUSFCSA-N 2 0 354.495 0.600 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)nc(C(C)C)n1 ZINC000372313058 489569319 /nfs/dbraw/zinc/56/93/19/489569319.db2.gz HGTJJIVKVIOBNT-QGZVFWFLSA-N 2 0 372.517 0.947 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CCOC)nn1 ZINC000416148365 489571868 /nfs/dbraw/zinc/57/18/68/489571868.db2.gz TUPJFSMALXCSCO-OAHLLOKOSA-N 2 0 352.483 0.413 20 0 FCADRP CSC1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH+](C)CC1 ZINC000427151575 489596768 /nfs/dbraw/zinc/59/67/68/489596768.db2.gz WPNQTUXPCDOOSB-CQSZACIVSA-N 2 0 356.536 0.340 20 0 FCADRP C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427228596 489598555 /nfs/dbraw/zinc/59/85/55/489598555.db2.gz XPGXLJMFFZSPQN-UONOGXRCSA-N 2 0 362.478 0.639 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000372581878 489603680 /nfs/dbraw/zinc/60/36/80/489603680.db2.gz APTTXKBXSLPALW-PNYFIKQUSA-N 2 0 370.497 0.643 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC(C)C1 ZINC000456691969 489622437 /nfs/dbraw/zinc/62/24/37/489622437.db2.gz DQQCINIHYRHVFG-WNRNVDISSA-N 2 0 364.534 0.689 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+]1CCCC1 ZINC000416829770 489630452 /nfs/dbraw/zinc/63/04/52/489630452.db2.gz GDJRGRKOJGRLQU-MRXNPFEDSA-N 2 0 350.463 0.795 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C(C)C ZINC000563763285 491267674 /nfs/dbraw/zinc/26/76/74/491267674.db2.gz RSDGWSVJDSLPNU-INIZCTEOSA-N 2 0 356.511 0.450 20 0 FCADRP [NH3+]CCN(CCO)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417014444 489638707 /nfs/dbraw/zinc/63/87/07/489638707.db2.gz FEIPRJCQIQSNTJ-UHFFFAOYSA-N 2 0 363.506 0.157 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000417016133 489638806 /nfs/dbraw/zinc/63/88/06/489638806.db2.gz NRAIYVRYXSZTCU-DZGCQCFKSA-N 2 0 367.519 0.847 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049770 489639913 /nfs/dbraw/zinc/63/99/13/489639913.db2.gz VCJGDZGUHDBRLD-IAGOWNOFSA-N 2 0 367.538 0.995 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@H+](C)C1 ZINC000417162286 489643790 /nfs/dbraw/zinc/64/37/90/489643790.db2.gz KUCIRTKZWZUVGA-ZDUSSCGKSA-N 2 0 352.439 0.013 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515860 489648239 /nfs/dbraw/zinc/64/82/39/489648239.db2.gz NLLUCSDJRJNJFI-IAGOWNOFSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1[NH3+] ZINC000417383754 489651099 /nfs/dbraw/zinc/65/10/99/489651099.db2.gz KQDZIJUCCNJRPM-WMZOPIPTSA-N 3 0 360.506 0.972 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417426686 489651704 /nfs/dbraw/zinc/65/17/04/489651704.db2.gz HFPHEBWTXURPLP-CVEARBPZSA-N 2 0 353.511 0.746 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417426689 489651844 /nfs/dbraw/zinc/65/18/44/489651844.db2.gz HFPHEBWTXURPLP-JKSUJKDBSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622629 489651961 /nfs/dbraw/zinc/65/19/61/489651961.db2.gz QNRVSAYNTZHKNI-QZTJIDSGSA-N 2 0 369.554 0.404 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428521493 489652057 /nfs/dbraw/zinc/65/20/57/489652057.db2.gz WIWGAZYXIKPTBN-HNNXBMFYSA-N 2 0 354.476 0.737 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417436225 489653324 /nfs/dbraw/zinc/65/33/24/489653324.db2.gz ZNDKBLUWZNFWHD-MAUKXSAKSA-N 2 0 353.511 0.618 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000555732379 491269013 /nfs/dbraw/zinc/26/90/13/491269013.db2.gz IKCILRQQMINNQP-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000417460162 489654893 /nfs/dbraw/zinc/65/48/93/489654893.db2.gz JOJMNBVRCPNOKT-WBVHZDCISA-N 2 0 353.511 0.663 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000417479365 489655768 /nfs/dbraw/zinc/65/57/68/489655768.db2.gz UCYZZGXQMMYECV-MRXNPFEDSA-N 2 0 361.490 0.777 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417495532 489656438 /nfs/dbraw/zinc/65/64/38/489656438.db2.gz TWMNQHKCUACILA-BZSNNMDCSA-N 2 0 364.490 0.670 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417517591 489656982 /nfs/dbraw/zinc/65/69/82/489656982.db2.gz QVARMUZYADNRMA-MRXNPFEDSA-N 2 0 363.510 0.676 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000417519129 489657102 /nfs/dbraw/zinc/65/71/02/489657102.db2.gz ULFMMZNJRTUYKH-OKZBNKHCSA-N 2 0 364.490 0.576 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000417515672 489657135 /nfs/dbraw/zinc/65/71/35/489657135.db2.gz LOUPANOJSBEYOE-MRXNPFEDSA-N 2 0 361.494 0.430 20 0 FCADRP CC(C)(C[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417550933 489658041 /nfs/dbraw/zinc/65/80/41/489658041.db2.gz XTCAPHHLCZZETE-MRXNPFEDSA-N 2 0 361.490 0.920 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)[N@H+](C)C1CC1 ZINC000417550471 489658051 /nfs/dbraw/zinc/65/80/51/489658051.db2.gz LKJKGYHBTQTEFO-BFYDXBDKSA-N 2 0 365.522 0.759 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000417550106 489658354 /nfs/dbraw/zinc/65/83/54/489658354.db2.gz UMBJUYFTRJICJT-SJORKVTESA-N 2 0 359.474 0.545 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417571740 489658790 /nfs/dbraw/zinc/65/87/90/489658790.db2.gz YACAIIAPPHUQMN-GDBMZVCRSA-N 2 0 353.511 0.746 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417667845 489661154 /nfs/dbraw/zinc/66/11/54/489661154.db2.gz HQMGUJOLRBJSRC-MSOLQXFVSA-N 2 0 369.554 0.718 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417694769 489661559 /nfs/dbraw/zinc/66/15/59/489661559.db2.gz DVUVFEVTGJXBKV-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417694770 489661814 /nfs/dbraw/zinc/66/18/14/489661814.db2.gz DVUVFEVTGJXBKV-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000417761485 489664788 /nfs/dbraw/zinc/66/47/88/489664788.db2.gz ZFAUYZSTGIIGFF-FRRDWIJNSA-N 2 0 351.417 0.604 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000417844564 489667876 /nfs/dbraw/zinc/66/78/76/489667876.db2.gz NXETVSFMJKGRDY-HNNXBMFYSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417856507 489668765 /nfs/dbraw/zinc/66/87/65/489668765.db2.gz SHSRGVSIGPSISE-XHSDSOJGSA-N 2 0 353.511 0.888 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373128090 489671068 /nfs/dbraw/zinc/67/10/68/489671068.db2.gz YIHDHQAEJMPLNA-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1F ZINC000417940934 489672426 /nfs/dbraw/zinc/67/24/26/489672426.db2.gz YOZMUNFVEZAGNG-UHFFFAOYSA-N 2 0 351.470 0.982 20 0 FCADRP COCC[NH2+]CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418001177 489674796 /nfs/dbraw/zinc/67/47/96/489674796.db2.gz WLWBJXLQGBWVBH-KRWDZBQOSA-N 2 0 350.463 0.288 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCN2CCOC[C@H]2C)CC1 ZINC000458287781 489675901 /nfs/dbraw/zinc/67/59/01/489675901.db2.gz BVOQRUNYFMVFNK-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418104232 489678513 /nfs/dbraw/zinc/67/85/13/489678513.db2.gz XHZPDIQEXIZRCA-GJZGRUSLSA-N 2 0 353.511 0.603 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408407 489681372 /nfs/dbraw/zinc/68/13/72/489681372.db2.gz DKCOGEXCZKMPMX-HOTGVXAUSA-N 2 0 353.511 0.605 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC[NH2+]CC1 ZINC000418303235 489690356 /nfs/dbraw/zinc/69/03/56/489690356.db2.gz DCMUHNWQQLSTBR-KRWDZBQOSA-N 2 0 361.490 0.327 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000570879996 491271649 /nfs/dbraw/zinc/27/16/49/491271649.db2.gz VZXZQEJFHMVKFT-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418412294 489697380 /nfs/dbraw/zinc/69/73/80/489697380.db2.gz PXVPJIDNMDIBMB-XQQFMLRXSA-N 2 0 351.417 0.639 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000458737484 489699529 /nfs/dbraw/zinc/69/95/29/489699529.db2.gz VYLSJDJNBPYGAH-MRXNPFEDSA-N 2 0 355.527 0.158 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000429807894 489702524 /nfs/dbraw/zinc/70/25/24/489702524.db2.gz ORACGELJZQWSJL-UHFFFAOYSA-N 2 0 358.446 1.252 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418511843 489702640 /nfs/dbraw/zinc/70/26/40/489702640.db2.gz SBPKJSUMQUTOII-GOSISDBHSA-N 2 0 350.463 0.159 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418559155 489707044 /nfs/dbraw/zinc/70/70/44/489707044.db2.gz PMDFBNBBWGHDKL-SZMVWBNQSA-N 2 0 361.490 0.344 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418552652 489707238 /nfs/dbraw/zinc/70/72/38/489707238.db2.gz SBVGGKMDTPFBGC-MRXNPFEDSA-N 2 0 356.511 0.897 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000418565588 489707944 /nfs/dbraw/zinc/70/79/44/489707944.db2.gz VNTIAMPXUWEETF-YQVWRLOYSA-N 2 0 362.474 0.507 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623385 489711942 /nfs/dbraw/zinc/71/19/42/489711942.db2.gz XBQMMUHOMRCZJC-ZDUSSCGKSA-N 2 0 353.433 0.804 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624584 489712513 /nfs/dbraw/zinc/71/25/13/489712513.db2.gz ZCOHZBSJWNCJHP-KBPBESRZSA-N 2 0 365.444 0.806 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418624306 489712679 /nfs/dbraw/zinc/71/26/79/489712679.db2.gz YVWJUXLTTFEWBX-QWHCGFSZSA-N 2 0 353.433 0.837 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418635023 489713312 /nfs/dbraw/zinc/71/33/12/489713312.db2.gz JWVXVZNZPVJKKE-RDJZCZTQSA-N 2 0 359.474 0.370 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418634920 489713386 /nfs/dbraw/zinc/71/33/86/489713386.db2.gz GJAICFKWMVGJNP-CHWSQXEVSA-N 2 0 365.444 0.900 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCSC1 ZINC000489496022 489713720 /nfs/dbraw/zinc/71/37/20/489713720.db2.gz KNJIMRSUHDXVMO-DOTOQJQBSA-N 2 0 356.536 0.787 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418635020 489713756 /nfs/dbraw/zinc/71/37/56/489713756.db2.gz JWVXVZNZPVJKKE-NVXWUHKLSA-N 2 0 359.474 0.370 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000418733218 489720247 /nfs/dbraw/zinc/72/02/47/489720247.db2.gz VBKRYNFVNAPGDK-CVEARBPZSA-N 2 0 353.511 0.795 20 0 FCADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000470055752 489722443 /nfs/dbraw/zinc/72/24/43/489722443.db2.gz KDUCGIDGSLECAA-MRXNPFEDSA-N 2 0 361.490 0.362 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418756088 489723281 /nfs/dbraw/zinc/72/32/81/489723281.db2.gz COFVMWJAOWZSLN-OKZBNKHCSA-N 2 0 362.474 0.157 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418796564 489729039 /nfs/dbraw/zinc/72/90/39/489729039.db2.gz DYYFYARSISGAGP-MRXNPFEDSA-N 2 0 366.506 0.335 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418796141 489729202 /nfs/dbraw/zinc/72/92/02/489729202.db2.gz DGGGHJCEUCQPSQ-OAHLLOKOSA-N 2 0 354.495 0.239 20 0 FCADRP C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459539822 489737841 /nfs/dbraw/zinc/73/78/41/489737841.db2.gz QCVFLVQTUVAHGC-RDJZCZTQSA-N 2 0 354.520 0.883 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418827157 489742600 /nfs/dbraw/zinc/74/26/00/489742600.db2.gz BWOLIOXIKQJJFY-NVXWUHKLSA-N 2 0 374.485 0.756 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418831491 489744172 /nfs/dbraw/zinc/74/41/72/489744172.db2.gz GKROAMQGKJQHEI-NVXWUHKLSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418833275 489745496 /nfs/dbraw/zinc/74/54/96/489745496.db2.gz IAIGVAMEADQQGM-RYQLBKOJSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418833268 489745716 /nfs/dbraw/zinc/74/57/16/489745716.db2.gz IAIGVAMEADQQGM-CGTJXYLNSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418832952 489745979 /nfs/dbraw/zinc/74/59/79/489745979.db2.gz MOVYXDBFIYEFFS-MELADBBJSA-N 2 0 352.504 0.971 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)[NH+](C)C)c1 ZINC000418838563 489748746 /nfs/dbraw/zinc/74/87/46/489748746.db2.gz CELAVAGKXBIOOX-KEYYUXOJSA-N 2 0 362.474 0.610 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418839070 489749115 /nfs/dbraw/zinc/74/91/15/489749115.db2.gz CWMISLPTEBTRMI-CQSZACIVSA-N 2 0 350.488 0.823 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000418839632 489749592 /nfs/dbraw/zinc/74/95/92/489749592.db2.gz DGWJGODTYMKAMM-NVXWUHKLSA-N 2 0 362.474 0.625 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)([NH+](C)C)C1 ZINC000563900064 491276498 /nfs/dbraw/zinc/27/64/98/491276498.db2.gz ORJHSLRCBUHQQW-ADAWSYLGSA-N 2 0 351.495 0.450 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418839690 489750172 /nfs/dbraw/zinc/75/01/72/489750172.db2.gz DIURLIYMMCMKFC-ZNMIVQPWSA-N 2 0 362.499 0.679 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC000418839698 489750232 /nfs/dbraw/zinc/75/02/32/489750232.db2.gz DJJZXWXXFDLKLL-HZPDHXFCSA-N 2 0 350.463 0.514 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418839689 489750339 /nfs/dbraw/zinc/75/03/39/489750339.db2.gz DIURLIYMMCMKFC-QLFBSQMISA-N 2 0 362.499 0.679 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418847278 489754484 /nfs/dbraw/zinc/75/44/84/489754484.db2.gz HTFIEEOXPMWXAO-IAGOWNOFSA-N 2 0 362.474 0.372 20 0 FCADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621075 489756460 /nfs/dbraw/zinc/75/64/60/489756460.db2.gz CXCJIRCJRDOUDZ-MRXNPFEDSA-N 2 0 354.495 0.063 20 0 FCADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635456 489758882 /nfs/dbraw/zinc/75/88/82/489758882.db2.gz HANDCIVYHYSPLE-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635457 489759123 /nfs/dbraw/zinc/75/91/23/489759123.db2.gz HANDCIVYHYSPLE-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000430631954 489759341 /nfs/dbraw/zinc/75/93/41/489759341.db2.gz WGQXEBGMNYNOOA-HNNXBMFYSA-N 2 0 366.893 0.786 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@@H]1C[NH3+] ZINC000418856948 489760168 /nfs/dbraw/zinc/76/01/68/489760168.db2.gz XXONSULOAYHVRN-KBAYOESNSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640877 489760721 /nfs/dbraw/zinc/76/07/21/489760721.db2.gz LFNQHUFXSYEMAC-MJGOQNOKSA-N 2 0 372.513 0.878 20 0 FCADRP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640872 489760766 /nfs/dbraw/zinc/76/07/66/489760766.db2.gz LEKSPNGQIGSQQF-ZWKOTPCHSA-N 2 0 358.486 0.960 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)[NH+](C)C)c1 ZINC000418861465 489762694 /nfs/dbraw/zinc/76/26/94/489762694.db2.gz MXRUYXJBXARVAE-KRWDZBQOSA-N 2 0 362.474 0.611 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418861103 489762740 /nfs/dbraw/zinc/76/27/40/489762740.db2.gz MLZNVINPUHJKBU-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863676 489763238 /nfs/dbraw/zinc/76/32/38/489763238.db2.gz BSKTVWOOLJJVFL-JKSUJKDBSA-N 2 0 368.522 0.498 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000430715249 489766696 /nfs/dbraw/zinc/76/66/96/489766696.db2.gz RQYOERZGIDBQBF-ZXFUBFMLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418868801 489767011 /nfs/dbraw/zinc/76/70/11/489767011.db2.gz WQYMAEOIOVFLGM-PBHICJAKSA-N 2 0 362.474 0.482 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC000418871323 489767831 /nfs/dbraw/zinc/76/78/31/489767831.db2.gz ZQTGBQNZWRFPCD-RYRKJORJSA-N 2 0 374.485 0.767 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870617 489767870 /nfs/dbraw/zinc/76/78/70/489767870.db2.gz YKRKWHVODRSYTJ-UAGQMJEPSA-N 2 0 374.485 0.606 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418875619 489769792 /nfs/dbraw/zinc/76/97/92/489769792.db2.gz KYFKCAAQOYCQEU-RHSMWYFYSA-N 2 0 362.474 0.754 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000418875038 489770275 /nfs/dbraw/zinc/77/02/75/489770275.db2.gz CLGOKYFARRKBAG-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418879947 489772017 /nfs/dbraw/zinc/77/20/17/489772017.db2.gz OFWMGQWICXTCLM-HOTGVXAUSA-N 2 0 356.511 0.435 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418879243 489772126 /nfs/dbraw/zinc/77/21/26/489772126.db2.gz NBPPYUVYEWNUJN-ROUUACIJSA-N 2 0 374.485 0.209 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000418880273 489772267 /nfs/dbraw/zinc/77/22/67/489772267.db2.gz VBBVFHNRQDMMPM-DOTOQJQBSA-N 2 0 362.449 0.679 20 0 FCADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878372 489774075 /nfs/dbraw/zinc/77/40/75/489774075.db2.gz NWBVKOQNPRSUAC-QAPCUYQASA-N 2 0 354.495 0.062 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418883338 489774687 /nfs/dbraw/zinc/77/46/87/489774687.db2.gz UYIRKJBZGRQLKP-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCCCC1 ZINC000418898999 489781121 /nfs/dbraw/zinc/78/11/21/489781121.db2.gz KDINLOUYRBZBIS-HNNXBMFYSA-N 2 0 354.495 0.252 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000474810057 489788028 /nfs/dbraw/zinc/78/80/28/489788028.db2.gz NQNNFNJOCRAJOC-HUUCEWRRSA-N 2 0 360.502 0.863 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459910121 489788986 /nfs/dbraw/zinc/78/89/86/489788986.db2.gz SDSLLEKOBZVATO-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000491073336 489794237 /nfs/dbraw/zinc/79/42/37/489794237.db2.gz DCMJHFRMODBFLP-SFHVURJKSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000418936045 489795896 /nfs/dbraw/zinc/79/58/96/489795896.db2.gz BECSEQNJZOJAOM-WBVHZDCISA-N 2 0 362.474 0.118 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccco1 ZINC000418935865 489796194 /nfs/dbraw/zinc/79/61/94/489796194.db2.gz DLLQKAILVPAYGQ-KSSFIOAISA-N 2 0 350.463 0.976 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418939050 489797036 /nfs/dbraw/zinc/79/70/36/489797036.db2.gz QJHWBFRAMSTTIX-IAGOWNOFSA-N 2 0 368.522 0.724 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)C1 ZINC000376801879 489798856 /nfs/dbraw/zinc/79/88/56/489798856.db2.gz NXNBGVNEAROSPD-OKZBNKHCSA-N 2 0 368.522 0.848 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000418945537 489799253 /nfs/dbraw/zinc/79/92/53/489799253.db2.gz PWDFVBQGYALAPB-QLFBSQMISA-N 2 0 350.463 0.974 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555886131 491279481 /nfs/dbraw/zinc/27/94/81/491279481.db2.gz LTSSOCHKUFWOST-CQSZACIVSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418949587 489801783 /nfs/dbraw/zinc/80/17/83/489801783.db2.gz VBFBYCOAPBLHGO-HUUCEWRRSA-N 2 0 366.462 0.273 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000418984953 489810109 /nfs/dbraw/zinc/81/01/09/489810109.db2.gz FKKIMIOBVRBVEL-RCCFBDPRSA-N 2 0 358.486 0.950 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418992034 489812656 /nfs/dbraw/zinc/81/26/56/489812656.db2.gz FSDMFPASCRJODE-UHFFFAOYSA-N 2 0 350.507 0.971 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419003655 489813909 /nfs/dbraw/zinc/81/39/09/489813909.db2.gz QQSVDVMTLQIPOQ-ROUUACIJSA-N 2 0 358.486 0.693 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCn2c(C)nc3ccccc32)C1 ZINC000419006407 489815422 /nfs/dbraw/zinc/81/54/22/489815422.db2.gz WGEPXENOYMTAFG-OAHLLOKOSA-N 2 0 357.458 0.919 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419023182 489821254 /nfs/dbraw/zinc/82/12/54/489821254.db2.gz VXMYXWUSTYQENQ-RBUKOAKNSA-N 2 0 370.497 0.967 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419023179 489821437 /nfs/dbraw/zinc/82/14/37/489821437.db2.gz VXMYXWUSTYQENQ-OALUTQOASA-N 2 0 370.497 0.967 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022321 489821871 /nfs/dbraw/zinc/82/18/71/489821871.db2.gz IEOAJWLWHYWBBL-RBSFLKMASA-N 2 0 368.522 0.842 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000460031013 489824582 /nfs/dbraw/zinc/82/45/82/489824582.db2.gz BCJRBDGMPFQYJN-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419033869 489826769 /nfs/dbraw/zinc/82/67/69/489826769.db2.gz LXBINQQBBLBNSL-AWEZNQCLSA-N 2 0 356.536 0.565 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419035612 489828115 /nfs/dbraw/zinc/82/81/15/489828115.db2.gz OIHARSCQCLMRSJ-UHFFFAOYSA-N 2 0 370.563 0.970 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041380 489829011 /nfs/dbraw/zinc/82/90/11/489829011.db2.gz BTJIOPCDRNVLEB-RDJZCZTQSA-N 2 0 364.490 0.005 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000419040139 489830320 /nfs/dbraw/zinc/83/03/20/489830320.db2.gz MDHSTXUGNMSKEK-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419044687 489832297 /nfs/dbraw/zinc/83/22/97/489832297.db2.gz QPWIBKBDTVXKTH-MRXNPFEDSA-N 2 0 354.495 0.332 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419044398 489832382 /nfs/dbraw/zinc/83/23/82/489832382.db2.gz PUDXAMMEHAQQEN-WBVHZDCISA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419047677 489834239 /nfs/dbraw/zinc/83/42/39/489834239.db2.gz YOFPOGRUNHHUKN-HOTGVXAUSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)CCO1 ZINC000460060195 489838129 /nfs/dbraw/zinc/83/81/29/489838129.db2.gz SUFYVZKIHSBNQV-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000419068326 489843591 /nfs/dbraw/zinc/84/35/91/489843591.db2.gz HSEUCUTXFNGYKZ-SFHVURJKSA-N 2 0 374.485 0.201 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000460078457 489844695 /nfs/dbraw/zinc/84/46/95/489844695.db2.gz HMZGRVIDGXZOQI-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419071570 489845375 /nfs/dbraw/zinc/84/53/75/489845375.db2.gz LMGSFRIASHAQOF-MRXNPFEDSA-N 2 0 360.502 0.987 20 0 FCADRP CC1=C(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)Cn2nnnc2N1C ZINC000377062584 489846686 /nfs/dbraw/zinc/84/66/86/489846686.db2.gz RMRXALSCIGCVGF-UHFFFAOYSA-N 2 0 364.498 0.129 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000460234339 489856533 /nfs/dbraw/zinc/85/65/33/489856533.db2.gz WZQYDTVHAUYMGH-PKOBYXMFSA-N 2 0 362.474 0.119 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000419111966 489860008 /nfs/dbraw/zinc/86/00/08/489860008.db2.gz PHRKAPOXRSSEDQ-HOCLYGCPSA-N 2 0 362.449 0.571 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1F ZINC000419114739 489862076 /nfs/dbraw/zinc/86/20/76/489862076.db2.gz SJJNBRVHIQDQQD-OAHLLOKOSA-N 2 0 350.438 0.843 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419119386 489864178 /nfs/dbraw/zinc/86/41/78/489864178.db2.gz JRLANSPFJXIYQL-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116840 489866714 /nfs/dbraw/zinc/86/67/14/489866714.db2.gz NCGTUZPKWHFVAQ-HNNXBMFYSA-N 2 0 360.524 0.120 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000419125551 489868730 /nfs/dbraw/zinc/86/87/30/489868730.db2.gz KAUKLOLDEQWLLK-BBWFWOEESA-N 2 0 367.538 0.103 20 0 FCADRP CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433174624 489870928 /nfs/dbraw/zinc/87/09/28/489870928.db2.gz NPIAYIGXKPJQPN-SJORKVTESA-N 2 0 353.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)[C@H]2CCCSC2)C1 ZINC000433206826 489871642 /nfs/dbraw/zinc/87/16/42/489871642.db2.gz IMLDODVADLGZIP-IRXDYDNUSA-N 2 0 373.563 0.649 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419979676 489872278 /nfs/dbraw/zinc/87/22/78/489872278.db2.gz PUSDPSNLGRKQRX-OAGGEKHMSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419993963 489875760 /nfs/dbraw/zinc/87/57/60/489875760.db2.gz KZURVQYXINDFQF-KFWWJZLASA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419995799 489876977 /nfs/dbraw/zinc/87/69/77/489876977.db2.gz IRZFSHQSHQYTIK-ILXRZTDVSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420017974 489881926 /nfs/dbraw/zinc/88/19/26/489881926.db2.gz PHLPNJBARZXJLK-QGZVFWFLSA-N 2 0 367.538 0.103 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413172 489882240 /nfs/dbraw/zinc/88/22/40/489882240.db2.gz WASYFEKPLFRIRM-MSOLQXFVSA-N 2 0 369.554 0.670 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420023854 489883807 /nfs/dbraw/zinc/88/38/07/489883807.db2.gz XREJYGKYQFFONR-GVDBMIGSSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027125 489884782 /nfs/dbraw/zinc/88/47/82/489884782.db2.gz CUBBOWZXJRAFAF-HOCLYGCPSA-N 2 0 368.522 0.796 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420026215 489885310 /nfs/dbraw/zinc/88/53/10/489885310.db2.gz ZXDAUMISLZTCQQ-BHYGNILZSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420031978 489887485 /nfs/dbraw/zinc/88/74/85/489887485.db2.gz HOHWXTJHDKRHIW-ZNMIVQPWSA-N 2 0 352.479 0.160 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420039857 489889598 /nfs/dbraw/zinc/88/95/98/489889598.db2.gz OGZFDBIHTZOHAD-VYDXJSESSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420052006 489894455 /nfs/dbraw/zinc/89/44/55/489894455.db2.gz HKSUBAXSSGWLHI-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000420051362 489894939 /nfs/dbraw/zinc/89/49/39/489894939.db2.gz DWHKTLUEOWXPNA-INMHGKMJSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420060255 489897471 /nfs/dbraw/zinc/89/74/71/489897471.db2.gz KXEYHMSSCHLPSR-ZBFHGGJFSA-N 2 0 350.463 0.804 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420068732 489902683 /nfs/dbraw/zinc/90/26/83/489902683.db2.gz VBLQJQSQZLXYDY-INIZCTEOSA-N 2 0 350.438 0.569 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000494713827 489906915 /nfs/dbraw/zinc/90/69/15/489906915.db2.gz VLTUEVGZGHTJJR-ZWKOTPCHSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000461387883 489907213 /nfs/dbraw/zinc/90/72/13/489907213.db2.gz SYTWFLOAQFOUSX-BGYRXZFFSA-N 2 0 364.486 0.853 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000564064067 491286578 /nfs/dbraw/zinc/28/65/78/491286578.db2.gz CGNVQQJMMWFLRX-ZDUSSCGKSA-N 2 0 365.444 0.854 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)o1 ZINC000420101712 489912259 /nfs/dbraw/zinc/91/22/59/489912259.db2.gz MCTPIMWPRBWDCW-LJQANCHMSA-N 2 0 364.490 0.984 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000420106036 489913569 /nfs/dbraw/zinc/91/35/69/489913569.db2.gz REYWDMPLDFIFQO-APWZRJJASA-N 2 0 366.506 0.063 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC1=O ZINC000377529215 489915682 /nfs/dbraw/zinc/91/56/82/489915682.db2.gz AFJUQCRYOFCOCR-MNOVXSKESA-N 2 0 351.476 0.308 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)o1 ZINC000420118141 489918164 /nfs/dbraw/zinc/91/81/64/489918164.db2.gz JZTSNBKOFGQWBW-UHFFFAOYSA-N 2 0 364.490 0.984 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420118772 489919241 /nfs/dbraw/zinc/91/92/41/489919241.db2.gz KGDYUQUTHDQGLZ-UHFFFAOYSA-N 2 0 350.463 0.676 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126512 489921850 /nfs/dbraw/zinc/92/18/50/489921850.db2.gz OHCLEFQVLDRHKO-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000420129288 489922416 /nfs/dbraw/zinc/92/24/16/489922416.db2.gz WPYRSBIUSPRRFO-WMZOPIPTSA-N 2 0 360.502 0.999 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000420129285 489922447 /nfs/dbraw/zinc/92/24/47/489922447.db2.gz WPYRSBIUSPRRFO-AEFFLSMTSA-N 2 0 360.502 0.999 20 0 FCADRP C[C@@H](CNC(=O)N(C)CCN1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000434410099 489926397 /nfs/dbraw/zinc/92/63/97/489926397.db2.gz AYUQZDGSMYCDFK-KRWDZBQOSA-N 2 0 369.554 0.622 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420141056 489927128 /nfs/dbraw/zinc/92/71/28/489927128.db2.gz RDWFTOGJMIFVSZ-KDURUIRLSA-N 2 0 368.481 0.613 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141427 489928313 /nfs/dbraw/zinc/92/83/13/489928313.db2.gz ZITDPQQBUFIBGV-YSHGAJCASA-N 2 0 370.497 0.834 20 0 FCADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420145325 489929637 /nfs/dbraw/zinc/92/96/37/489929637.db2.gz OPNNOHFHRVQWJT-PMPSAXMXSA-N 2 0 368.522 0.448 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000495315056 489935103 /nfs/dbraw/zinc/93/51/03/489935103.db2.gz SPXJETVUFKZGMF-WBVHZDCISA-N 2 0 366.506 0.333 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171942 489939557 /nfs/dbraw/zinc/93/95/57/489939557.db2.gz USENZCZYJPPIBR-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000556022729 491289763 /nfs/dbraw/zinc/28/97/63/491289763.db2.gz CBQIBNGCVIDIFS-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420197157 489948719 /nfs/dbraw/zinc/94/87/19/489948719.db2.gz LIJYKHKDFWNYLW-UKRRQHHQSA-N 2 0 352.504 0.882 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420201967 489949906 /nfs/dbraw/zinc/94/99/06/489949906.db2.gz NQWTUURJNRHJCX-RDJZCZTQSA-N 2 0 364.465 0.960 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC2=CC[NH2+]CC2)o1 ZINC000420206805 489951978 /nfs/dbraw/zinc/95/19/78/489951978.db2.gz FIBNWMAPGHEERX-UHFFFAOYSA-N 2 0 362.474 0.904 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420210227 489953810 /nfs/dbraw/zinc/95/38/10/489953810.db2.gz VZMXNDTUADESFZ-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477263250 489954286 /nfs/dbraw/zinc/95/42/86/489954286.db2.gz JMGQKTKYOBOVRP-YJBOKZPZSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420214622 489954901 /nfs/dbraw/zinc/95/49/01/489954901.db2.gz ZPEHUBIWJDFFEH-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP CCCN(CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O)C1CC[NH2+]CC1 ZINC000420308611 489961200 /nfs/dbraw/zinc/96/12/00/489961200.db2.gz CWEULYCTKFLSMY-UHFFFAOYSA-N 2 0 351.451 0.588 20 0 FCADRP CNS(=O)(=O)c1ccccc1N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420308521 489961734 /nfs/dbraw/zinc/96/17/34/489961734.db2.gz CUNNCMZCYGLUSI-OAHLLOKOSA-N 2 0 352.504 0.716 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000420327514 489963610 /nfs/dbraw/zinc/96/36/10/489963610.db2.gz GMWXNTSRCXICOV-NTDBWNAOSA-N 2 0 351.491 0.985 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420343048 489964641 /nfs/dbraw/zinc/96/46/41/489964641.db2.gz YJBGJWNBKIBSHX-GOSISDBHSA-N 2 0 374.485 0.631 20 0 FCADRP CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H](O)C[NH3+] ZINC000420354497 489967315 /nfs/dbraw/zinc/96/73/15/489967315.db2.gz OLFAQNXKCYFJRH-RHSMWYFYSA-N 2 0 368.909 0.845 20 0 FCADRP c1nc(N2CCOCC2)cc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420356191 489967899 /nfs/dbraw/zinc/96/78/99/489967899.db2.gz GARKPQJBHVCVFM-KRWDZBQOSA-N 2 0 360.506 0.825 20 0 FCADRP Cc1ccccc1CN1CCN(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000420408871 489972850 /nfs/dbraw/zinc/97/28/50/489972850.db2.gz XDXFEMINPBFJKD-UHFFFAOYSA-N 2 0 360.502 0.425 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420415563 489973193 /nfs/dbraw/zinc/97/31/93/489973193.db2.gz BCJDYTBNWDCNSU-SWLSCSKDSA-N 2 0 357.524 0.809 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000477612229 489977480 /nfs/dbraw/zinc/97/74/80/489977480.db2.gz FELLLLULDOPWRU-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000477652476 489981655 /nfs/dbraw/zinc/98/16/55/489981655.db2.gz MNOYMIKXBIOFGQ-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000477678783 489983929 /nfs/dbraw/zinc/98/39/29/489983929.db2.gz NWRHEHJIFFNEMN-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000477677869 489984314 /nfs/dbraw/zinc/98/43/14/489984314.db2.gz NBLRGJINRPEBSF-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000477682267 489984390 /nfs/dbraw/zinc/98/43/90/489984390.db2.gz YWVDHZGOKOPSKL-UHFFFAOYSA-N 2 0 356.511 0.260 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962004 489988388 /nfs/dbraw/zinc/98/83/88/489988388.db2.gz SRUQFWJVWUSVIB-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477874178 489994543 /nfs/dbraw/zinc/99/45/43/489994543.db2.gz FSLGVJKOZZPRIO-LUKYLMHMSA-N 2 0 356.511 0.582 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887233 489994726 /nfs/dbraw/zinc/99/47/26/489994726.db2.gz ACBYWBNZGKNXAA-XWTMOSNGSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015860 490000708 /nfs/dbraw/zinc/00/07/08/490000708.db2.gz MKCMFHDPIXWEDB-ZRGWGRIASA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015854 490000895 /nfs/dbraw/zinc/00/08/95/490000895.db2.gz MKCMFHDPIXWEDB-CLCXKQKWSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085946 491294007 /nfs/dbraw/zinc/29/40/07/491294007.db2.gz YSWAXLJQDRGXJJ-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539480 490023749 /nfs/dbraw/zinc/02/37/49/490023749.db2.gz FKODEDWFXPYIHF-NVXWUHKLSA-N 2 0 359.474 0.990 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000495659703 490086630 /nfs/dbraw/zinc/08/66/30/490086630.db2.gz YBANWJKFGLQWOK-QGZVFWFLSA-N 2 0 362.449 0.680 20 0 FCADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289400 491298041 /nfs/dbraw/zinc/29/80/41/491298041.db2.gz ABOVFFAXAPSWJZ-UYAOXDASSA-N 2 0 361.534 0.886 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815860 490089604 /nfs/dbraw/zinc/08/96/04/490089604.db2.gz YMWMXRBUPFWSED-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496395287 490115373 /nfs/dbraw/zinc/11/53/73/490115373.db2.gz PFKCOPFICLRLML-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000556174406 491300258 /nfs/dbraw/zinc/30/02/58/491300258.db2.gz KWOOOLDALSSJFU-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000446050099 490150345 /nfs/dbraw/zinc/15/03/45/490150345.db2.gz DCANIIAZQGGNNV-UHFFFAOYSA-N 2 0 362.474 0.302 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460151 490151790 /nfs/dbraw/zinc/15/17/90/490151790.db2.gz ZAFGTTFMMUEXCN-NVXWUHKLSA-N 2 0 366.506 0.322 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446288165 490158439 /nfs/dbraw/zinc/15/84/39/490158439.db2.gz NYPMYTILCQSSPA-SQGPQFPESA-N 2 0 366.550 0.909 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962436 490158612 /nfs/dbraw/zinc/15/86/12/490158612.db2.gz YTBNPLBNDVUFOW-DLBZAZTESA-N 2 0 367.538 0.947 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000497509693 490169701 /nfs/dbraw/zinc/16/97/01/490169701.db2.gz XIRSZFVANHTIMR-QGZVFWFLSA-N 2 0 357.568 0.703 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466294434 490175921 /nfs/dbraw/zinc/17/59/21/490175921.db2.gz YYPBOHNAOXPUII-SJORKVTESA-N 2 0 365.522 0.890 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000497685982 490195250 /nfs/dbraw/zinc/19/52/50/490195250.db2.gz FHTMSHLWDOHLDV-IXDOHACOSA-N 2 0 365.522 0.665 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000497714993 490201752 /nfs/dbraw/zinc/20/17/52/490201752.db2.gz CWVZUHQSVJRCNU-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000480540580 490210272 /nfs/dbraw/zinc/21/02/72/490210272.db2.gz XHSQWRWHLGZDOS-UHFFFAOYSA-N 2 0 357.524 0.778 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000520987706 490212119 /nfs/dbraw/zinc/21/21/19/490212119.db2.gz HDJYDYYMJBHKMH-IRXDYDNUSA-N 2 0 355.527 0.014 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000497931154 490233840 /nfs/dbraw/zinc/23/38/40/490233840.db2.gz YLGGPRMPQIMXOA-MRXNPFEDSA-N 2 0 355.504 0.859 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000521231469 490238637 /nfs/dbraw/zinc/23/86/37/490238637.db2.gz NWLWKKBRHIVUIR-OAHLLOKOSA-N 2 0 362.478 0.405 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000571464510 491310106 /nfs/dbraw/zinc/31/01/06/491310106.db2.gz WBVZUBQDRIMSJU-HNNXBMFYSA-N 2 0 364.494 0.620 20 0 FCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)C2([NH3+])CC2)CC1)Cc1ccccc1 ZINC000498157630 490264896 /nfs/dbraw/zinc/26/48/96/490264896.db2.gz QZKIFRFVBRFICK-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000521648964 490285518 /nfs/dbraw/zinc/28/55/18/490285518.db2.gz XBLHIIHZEJOAKC-OAHLLOKOSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093979 490297866 /nfs/dbraw/zinc/29/78/66/490297866.db2.gz FKDQDUVSDFDLAS-HNNXBMFYSA-N 2 0 350.463 0.884 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000498570164 490312889 /nfs/dbraw/zinc/31/28/89/490312889.db2.gz DOIAAMFKNFNHFH-SFHVURJKSA-N 2 0 360.502 0.987 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000483433125 490317541 /nfs/dbraw/zinc/31/75/41/490317541.db2.gz XVOCNAQZPXQVKN-JKSUJKDBSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)o3)C[C@H]2C1 ZINC000408371513 490317932 /nfs/dbraw/zinc/31/79/32/490317932.db2.gz CCJIXYVZFGYGPY-GEEKYZPCSA-N 2 0 372.469 0.547 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000522035615 490332752 /nfs/dbraw/zinc/33/27/52/490332752.db2.gz BJOBYHCFQMRCIX-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC1=O ZINC000522187721 490350933 /nfs/dbraw/zinc/35/09/33/490350933.db2.gz ZMKRZXZTRGYLSE-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000498857790 490354303 /nfs/dbraw/zinc/35/43/03/490354303.db2.gz JOCJXJMZYTXJNX-QGZVFWFLSA-N 2 0 350.507 0.945 20 0 FCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000564729017 491323162 /nfs/dbraw/zinc/32/31/62/491323162.db2.gz WEODXARAKMCJCN-HNNXBMFYSA-N 2 0 353.488 0.532 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564686854 491320594 /nfs/dbraw/zinc/32/05/94/491320594.db2.gz JOHMPBQKRYIFHL-OWCLPIDISA-N 2 0 366.506 0.369 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000498942351 490367134 /nfs/dbraw/zinc/36/71/34/490367134.db2.gz MFGLCNZGMGBNEQ-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000522309423 490370255 /nfs/dbraw/zinc/37/02/55/490370255.db2.gz NCUGTBZCLNSMNQ-GDBMZVCRSA-N 2 0 351.495 0.465 20 0 FCADRP C[N@H+](CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccc(F)cc1 ZINC000571658167 491321120 /nfs/dbraw/zinc/32/11/20/491321120.db2.gz WMXDUMHYTSFSKV-GOSISDBHSA-N 2 0 363.481 0.947 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410880729 490375046 /nfs/dbraw/zinc/37/50/46/490375046.db2.gz AJBCSGHRGVIESJ-KRWDZBQOSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@@H]1CC(=O)C[C@H](C(=O)N(C)CC[NH+](C)C)[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000468344991 490391441 /nfs/dbraw/zinc/39/14/41/490391441.db2.gz ZJEQVLDGWFTNAK-PVAVHDDUSA-N 2 0 368.522 0.258 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000547971530 490399168 /nfs/dbraw/zinc/39/91/68/490399168.db2.gz SGVLCLRMSDXHQL-UHFFFAOYSA-N 2 0 353.439 0.262 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000534718748 490401516 /nfs/dbraw/zinc/40/15/16/490401516.db2.gz WQPYWQHJXXBSEE-UHFFFAOYSA-N 2 0 368.570 0.338 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000484261748 490405355 /nfs/dbraw/zinc/40/53/55/490405355.db2.gz IEHRXRZIKOPXNK-RDJZCZTQSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CCO[C@H](C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000468484204 490408867 /nfs/dbraw/zinc/40/88/67/490408867.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 0 360.502 0.812 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411247872 490414774 /nfs/dbraw/zinc/41/47/74/490414774.db2.gz WMMHVHLMPWXYIH-UHFFFAOYSA-N 2 0 354.426 0.773 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624656 490431856 /nfs/dbraw/zinc/43/18/56/490431856.db2.gz CMYZHVQFUXJJMB-JCYILVPMSA-N 2 0 368.522 0.545 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000556666977 491326212 /nfs/dbraw/zinc/32/62/12/491326212.db2.gz YDDPRFRXNYWOBS-GOSISDBHSA-N 2 0 358.486 0.931 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000468802909 490448587 /nfs/dbraw/zinc/44/85/87/490448587.db2.gz CPXDBFSTUXIQJQ-OAHLLOKOSA-N 2 0 362.474 0.976 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422709161 490461743 /nfs/dbraw/zinc/46/17/43/490461743.db2.gz JXFDLAGHTVSXBA-MOPGFXCFSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428883 490462666 /nfs/dbraw/zinc/46/26/66/490462666.db2.gz ADGXFWYAXHBDPW-JKSUJKDBSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428880 490462695 /nfs/dbraw/zinc/46/26/95/490462695.db2.gz ADGXFWYAXHBDPW-CVEARBPZSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C(C)(C)C ZINC000523469621 490467839 /nfs/dbraw/zinc/46/78/39/490467839.db2.gz AJDNBEAVRWGNEM-HUUCEWRRSA-N 2 0 355.527 0.992 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523481629 490468165 /nfs/dbraw/zinc/46/81/65/490468165.db2.gz HZNSCOASKCUNDU-CVEARBPZSA-N 2 0 355.527 0.959 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000509831475 490469027 /nfs/dbraw/zinc/46/90/27/490469027.db2.gz CBKWCCBYCJJWGL-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751287 490470638 /nfs/dbraw/zinc/47/06/38/490470638.db2.gz BDMGPVCZLYLOBB-TUKIKUTGSA-N 2 0 361.895 0.960 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)CC[NH2+]CC1 ZINC000422796366 490477967 /nfs/dbraw/zinc/47/79/67/490477967.db2.gz YIVNYWDFRNBDFR-AWEZNQCLSA-N 2 0 363.458 0.962 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)CC[NH2+]CC1 ZINC000422796370 490478692 /nfs/dbraw/zinc/47/86/92/490478692.db2.gz YIVNYWDFRNBDFR-CQSZACIVSA-N 2 0 363.458 0.962 20 0 FCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837262 490482544 /nfs/dbraw/zinc/48/25/44/490482544.db2.gz LRUVRSHFTVDYRG-WBVHZDCISA-N 2 0 354.539 0.970 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846244 490485208 /nfs/dbraw/zinc/48/52/08/490485208.db2.gz FEPIQQFWRBHWFS-GJZGRUSLSA-N 2 0 355.479 0.535 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422857117 490486835 /nfs/dbraw/zinc/48/68/35/490486835.db2.gz GYALCSLUASNJKM-IRXDYDNUSA-N 3 0 354.539 0.923 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000422906469 490494366 /nfs/dbraw/zinc/49/43/66/490494366.db2.gz JUUQTVDDBUEGFR-IRXDYDNUSA-N 2 0 362.474 0.361 20 0 FCADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422910358 490495827 /nfs/dbraw/zinc/49/58/27/490495827.db2.gz HUXGQIMHHGPMFD-SQNIBIBYSA-N 2 0 352.523 0.820 20 0 FCADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000523914465 490503526 /nfs/dbraw/zinc/50/35/26/490503526.db2.gz HDXWNDQGJZGMOF-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[C@H](C[NH+](C)C)C1)C2 ZINC000510478381 490520141 /nfs/dbraw/zinc/52/01/41/490520141.db2.gz ZRULVHLSINTGFK-MGNMYUMUSA-N 2 0 365.522 0.663 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473656 490520741 /nfs/dbraw/zinc/52/07/41/490520741.db2.gz RCQYMZXRMWIKFL-MJGOQNOKSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000535760902 490524438 /nfs/dbraw/zinc/52/44/38/490524438.db2.gz DXMQLMMUZQJXOO-MRXNPFEDSA-N 2 0 361.490 0.418 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423033451 490526450 /nfs/dbraw/zinc/52/64/50/490526450.db2.gz GTHOUPYSMHFRBR-AEFFLSMTSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000485499878 490536036 /nfs/dbraw/zinc/53/60/36/490536036.db2.gz DRDOKNWBPRLWDV-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558356 490542403 /nfs/dbraw/zinc/54/24/03/490542403.db2.gz BVMHNBRECQCMKW-QAPCUYQASA-N 2 0 358.486 0.834 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000548800208 490542487 /nfs/dbraw/zinc/54/24/87/490542487.db2.gz IJCBDKDDMNBUNL-AQNXPRMDSA-N 2 0 372.513 0.376 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CCO1 ZINC000500783951 490553003 /nfs/dbraw/zinc/55/30/03/490553003.db2.gz MBPBMRSTDOLIMC-OAHLLOKOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000485805221 490560391 /nfs/dbraw/zinc/56/03/91/490560391.db2.gz LBWMBHMRYFOBGF-BZUAXINKSA-N 2 0 364.494 0.822 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830070 490562048 /nfs/dbraw/zinc/56/20/48/490562048.db2.gz MTJOQLDZGABUSO-JKSUJKDBSA-N 2 0 363.510 0.206 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538261 490589207 /nfs/dbraw/zinc/58/92/07/490589207.db2.gz BSGVIAFYRLQGQO-VQTJNVASSA-N 2 0 371.529 0.481 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1=O ZINC000549720723 490596511 /nfs/dbraw/zinc/59/65/11/490596511.db2.gz PFTDNCGSHVCOJQ-QGZVFWFLSA-N 2 0 350.507 0.731 20 0 FCADRP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000525449863 490606111 /nfs/dbraw/zinc/60/61/11/490606111.db2.gz CDMQRUXUDPUODC-SFHVURJKSA-N 3 0 370.586 0.393 20 0 FCADRP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000525449862 490606155 /nfs/dbraw/zinc/60/61/55/490606155.db2.gz CDMQRUXUDPUODC-GOSISDBHSA-N 3 0 370.586 0.393 20 0 FCADRP CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000501600107 490620615 /nfs/dbraw/zinc/62/06/15/490620615.db2.gz GIZIKYRRDZLSMY-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486492492 490640150 /nfs/dbraw/zinc/64/01/50/490640150.db2.gz DTUHZQAGUIXKNX-MEXWJNSZSA-N 2 0 368.522 0.019 20 0 FCADRP C[C@H]1CC[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000537159582 490654706 /nfs/dbraw/zinc/65/47/06/490654706.db2.gz ZWKWZUUUWNSHDD-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCCO1 ZINC000550324579 490661010 /nfs/dbraw/zinc/66/10/10/490661010.db2.gz WPODIKSGMPTWPG-OAHLLOKOSA-N 2 0 366.506 0.347 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000572028839 491343682 /nfs/dbraw/zinc/34/36/82/491343682.db2.gz HMTRIOQEIWQUHF-LSDHHAIUSA-N 2 0 353.438 0.742 20 0 FCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCc2ccccc21 ZINC000512249187 490667543 /nfs/dbraw/zinc/66/75/43/490667543.db2.gz LYCIDMVWORXVCH-GOSISDBHSA-N 2 0 374.529 0.944 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000486813799 490674088 /nfs/dbraw/zinc/67/40/88/490674088.db2.gz RGILJOGEFVGLOK-ARFHVFGLSA-N 2 0 359.536 0.542 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000486813800 490674305 /nfs/dbraw/zinc/67/43/05/490674305.db2.gz RGILJOGEFVGLOK-BZUAXINKSA-N 2 0 359.536 0.542 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527124400 490701563 /nfs/dbraw/zinc/70/15/63/490701563.db2.gz PKRMEDDHEJAYLN-OAHLLOKOSA-N 2 0 362.474 0.752 20 0 FCADRP Cn1ccc(N2CCC[C@@H](N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043863 491347735 /nfs/dbraw/zinc/34/77/35/491347735.db2.gz IPKBIEKMSWWSQH-LSDHHAIUSA-N 2 0 358.450 0.303 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487596802 490721052 /nfs/dbraw/zinc/72/10/52/490721052.db2.gz KJKZNZVYPYZBKE-SJORKVTESA-N 2 0 356.511 0.632 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000527447035 490725092 /nfs/dbraw/zinc/72/50/92/490725092.db2.gz FDNYYQLIXKWACW-JYJNAYRXSA-N 2 0 352.458 0.726 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000502915762 490730029 /nfs/dbraw/zinc/73/00/29/490730029.db2.gz BNKAKGVSTSDSAX-ULQDDVLXSA-N 2 0 356.511 0.584 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483858 490734238 /nfs/dbraw/zinc/73/42/38/490734238.db2.gz LZNAEISOCFZKCW-HOTGVXAUSA-N 2 0 370.538 0.648 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000488618719 490767804 /nfs/dbraw/zinc/76/78/04/490767804.db2.gz GQXDFTZXZSJZDF-VQIMIIECSA-N 2 0 365.522 0.666 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000557113384 491354043 /nfs/dbraw/zinc/35/40/43/491354043.db2.gz BPNJYLJHBYKQPB-IBGZPJMESA-N 2 0 359.518 0.896 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122224 491354591 /nfs/dbraw/zinc/35/45/91/491354591.db2.gz QHTCZRRSNWNZEH-BZUAXINKSA-N 2 0 350.507 0.964 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663236 490779820 /nfs/dbraw/zinc/77/98/20/490779820.db2.gz HZUGRZLEGQFEDN-CABCVRRESA-N 2 0 359.465 0.795 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000673484468 493334527 /nfs/dbraw/zinc/33/45/27/493334527.db2.gz WZEYFFCVQGGJDD-OAQYLSRUSA-N 2 0 372.513 0.772 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000514682659 490781946 /nfs/dbraw/zinc/78/19/46/490781946.db2.gz UJLKIIMZNAGZKL-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000514848286 490792784 /nfs/dbraw/zinc/79/27/84/490792784.db2.gz SRKRIGGEKQGKLL-JKSUJKDBSA-N 2 0 365.522 0.761 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000557140405 491356336 /nfs/dbraw/zinc/35/63/36/491356336.db2.gz GXUYKFIWKRGPLF-INIZCTEOSA-N 2 0 353.511 0.747 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514925115 490798187 /nfs/dbraw/zinc/79/81/87/490798187.db2.gz JNJDOJNWZZYTBN-MSOLQXFVSA-N 2 0 362.474 0.565 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000514924333 490798213 /nfs/dbraw/zinc/79/82/13/490798213.db2.gz AFDKLTJOOFSECU-KRWDZBQOSA-N 2 0 367.538 0.472 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049581 490805101 /nfs/dbraw/zinc/80/51/01/490805101.db2.gz AEXKNGIGPQMBDQ-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000515413396 490825108 /nfs/dbraw/zinc/82/51/08/490825108.db2.gz JUHSSVYPQUTMDU-RCCFBDPRSA-N 2 0 360.502 0.840 20 0 FCADRP C[N@H+]1CC=C(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000540541906 490826980 /nfs/dbraw/zinc/82/69/80/490826980.db2.gz PEVVMQAHMAGVLW-UHFFFAOYSA-N 2 0 371.485 0.889 20 0 FCADRP COc1ccc(NC(=O)NC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000515525849 490830490 /nfs/dbraw/zinc/83/04/90/490830490.db2.gz KTLUIEROPLHNKX-HNNXBMFYSA-N 2 0 361.446 0.323 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515620981 490833566 /nfs/dbraw/zinc/83/35/66/490833566.db2.gz RGPJSKSUOSDBOB-NUJGCVRESA-N 2 0 365.522 0.615 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672706 490835390 /nfs/dbraw/zinc/83/53/90/490835390.db2.gz JEHVNLKEEHHRDX-KURKYZTESA-N 2 0 371.485 0.777 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[NH+](C)CC1 ZINC000572301300 491361178 /nfs/dbraw/zinc/36/11/78/491361178.db2.gz AULPDKLKBVXWPZ-NVXWUHKLSA-N 2 0 354.564 0.956 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000516027844 490846853 /nfs/dbraw/zinc/84/68/53/490846853.db2.gz XUDWPSQHWDHILL-QGZVFWFLSA-N 2 0 360.458 0.426 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529305071 490848909 /nfs/dbraw/zinc/84/89/09/490848909.db2.gz HMOSJXKEGLNLQM-SJLPKXTDSA-N 2 0 367.538 0.422 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000516914797 490884535 /nfs/dbraw/zinc/88/45/35/490884535.db2.gz KWJDISBFRCQEOC-LJQANCHMSA-N 2 0 358.442 0.661 20 0 FCADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000517019719 490891142 /nfs/dbraw/zinc/89/11/42/490891142.db2.gz IXURWRVJXDZYEG-FUHWJXTLSA-N 2 0 356.470 0.544 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000517157821 490896705 /nfs/dbraw/zinc/89/67/05/490896705.db2.gz VZSCRVRSUSIBMC-HNNXBMFYSA-N 2 0 356.511 0.308 20 0 FCADRP CN1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000517541850 490910925 /nfs/dbraw/zinc/91/09/25/490910925.db2.gz CCJLMUWSTQGDIK-MSOLQXFVSA-N 2 0 373.501 0.041 20 0 FCADRP COC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000517735886 490918816 /nfs/dbraw/zinc/91/88/16/490918816.db2.gz ASSYAEXWVMOTEO-HXUWFJFHSA-N 2 0 361.486 0.886 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000517826522 490922411 /nfs/dbraw/zinc/92/24/11/490922411.db2.gz BBEUSVQSVUHLFK-UHFFFAOYSA-N 2 0 357.476 0.587 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000517821308 490922520 /nfs/dbraw/zinc/92/25/20/490922520.db2.gz RRQUPTKONPAECT-CVEARBPZSA-N 2 0 353.511 0.761 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000517827613 490922603 /nfs/dbraw/zinc/92/26/03/490922603.db2.gz CVMQLFQPSULGAN-UHFFFAOYSA-N 2 0 365.503 0.986 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000517950811 490925753 /nfs/dbraw/zinc/92/57/53/490925753.db2.gz XHKNKZYDDAXIHP-MRXNPFEDSA-N 2 0 354.495 0.143 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218829 490933717 /nfs/dbraw/zinc/93/37/17/490933717.db2.gz MXBKPAAWMIZOSD-IXDOHACOSA-N 2 0 365.522 0.696 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000572362626 491365279 /nfs/dbraw/zinc/36/52/79/491365279.db2.gz VYYDQHPUQFZZTN-IBGZPJMESA-N 2 0 359.518 0.609 20 0 FCADRP C[C@H](C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)CN1CC[NH+](C)CC1 ZINC000518366102 490937937 /nfs/dbraw/zinc/93/79/37/490937937.db2.gz STQHNONFBBGVPO-CVEARBPZSA-N 2 0 374.485 0.117 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000531118817 490941667 /nfs/dbraw/zinc/94/16/67/490941667.db2.gz HHUANMUOABWNAV-UHFFFAOYSA-N 2 0 367.494 0.193 20 0 FCADRP NC(=O)c1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000543801125 490947401 /nfs/dbraw/zinc/94/74/01/490947401.db2.gz OEOXTWHZQAZTCG-UHFFFAOYSA-N 2 0 368.441 0.518 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000565255347 491366294 /nfs/dbraw/zinc/36/62/94/491366294.db2.gz RRZGZGMFZMQXHO-DLBZAZTESA-N 2 0 359.474 0.592 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970588 490957462 /nfs/dbraw/zinc/95/74/62/490957462.db2.gz JAUNKWXJDODRMB-OAGGEKHMSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H]1COCCN1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000519007607 490958753 /nfs/dbraw/zinc/95/87/53/490958753.db2.gz ZITDXTLCYVSLMP-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000519227971 490966352 /nfs/dbraw/zinc/96/63/52/490966352.db2.gz WEZYRBRSGSWBRX-XHSDSOJGSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000519435385 490972344 /nfs/dbraw/zinc/97/23/44/490972344.db2.gz NYCIKROOKWPUDH-KRWDZBQOSA-N 2 0 356.536 0.483 20 0 FCADRP CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC000544685789 490976364 /nfs/dbraw/zinc/97/63/64/490976364.db2.gz RJJKYTSNPGHNBM-ARFHVFGLSA-N 2 0 368.547 0.435 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000565292901 491367722 /nfs/dbraw/zinc/36/77/22/491367722.db2.gz OAFDSVOKVKRBCY-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000519635991 490980588 /nfs/dbraw/zinc/98/05/88/490980588.db2.gz KNHKYYWSBCKYOY-OQSMONGASA-N 2 0 362.518 0.824 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000544784873 490981295 /nfs/dbraw/zinc/98/12/95/490981295.db2.gz IYLUNVLFWCMSOX-SFHVURJKSA-N 2 0 352.523 0.367 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000519754345 490988482 /nfs/dbraw/zinc/98/84/82/490988482.db2.gz NLAGDQOBFBOSJO-OAHLLOKOSA-N 2 0 358.486 0.399 20 0 FCADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310783 491916459 /nfs/dbraw/zinc/91/64/59/491916459.db2.gz FKIBARZMWWSKIP-SJORKVTESA-N 2 0 366.506 0.252 20 0 FCADRP CSC1(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[NH+](C)CC1 ZINC000569518919 491166009 /nfs/dbraw/zinc/16/60/09/491166009.db2.gz YEYRTICSDFUGGY-INIZCTEOSA-N 2 0 371.595 0.997 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000554029323 491170819 /nfs/dbraw/zinc/17/08/19/491170819.db2.gz GKDCGXIPDJVQFP-HOTGVXAUSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000554042689 491172446 /nfs/dbraw/zinc/17/24/46/491172446.db2.gz BYWRBUIBDSJSTC-KLHDSHLOSA-N 2 0 354.495 0.201 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000557381293 491371406 /nfs/dbraw/zinc/37/14/06/491371406.db2.gz IWZGBOBPAQHTOG-CVEARBPZSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000557560765 491382926 /nfs/dbraw/zinc/38/29/26/491382926.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 2 0 367.538 0.070 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000565549300 491384079 /nfs/dbraw/zinc/38/40/79/491384079.db2.gz LDCARFGCBXZOPF-GVDBMIGSSA-N 2 0 359.474 0.113 20 0 FCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1CCN1CCOCC1 ZINC000565651713 491391579 /nfs/dbraw/zinc/39/15/79/491391579.db2.gz PWPZRXYQERYTAK-XWTMOSNGSA-N 2 0 350.507 0.430 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000565769295 491398515 /nfs/dbraw/zinc/39/85/15/491398515.db2.gz YPWAPTOBFTWFNT-CQSZACIVSA-N 2 0 352.504 0.836 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H](C)C1 ZINC000573102921 491412935 /nfs/dbraw/zinc/41/29/35/491412935.db2.gz RBSNOBZYFHYIMY-JKSUJKDBSA-N 2 0 356.511 0.260 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)C1=O ZINC000566137548 491419700 /nfs/dbraw/zinc/41/97/00/491419700.db2.gz YNYLROUGYRRGSD-HUUCEWRRSA-N 2 0 354.520 0.235 20 0 FCADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000566185378 491423981 /nfs/dbraw/zinc/42/39/81/491423981.db2.gz DBRZRGBZBQMOOO-MRXNPFEDSA-N 2 0 362.478 0.215 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@H]3C[NH2+]CCO3)CCCC2)CC1 ZINC000573308094 491425243 /nfs/dbraw/zinc/42/52/43/491425243.db2.gz HBZBQGOJVZLARI-MRXNPFEDSA-N 2 0 354.495 0.698 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566223852 491427300 /nfs/dbraw/zinc/42/73/00/491427300.db2.gz MMVCPNAOSOMQLX-XHSDSOJGSA-N 2 0 369.535 0.809 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573346512 491428237 /nfs/dbraw/zinc/42/82/37/491428237.db2.gz DZEBSDPKAFMWHJ-BBWFWOEESA-N 2 0 363.506 0.323 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000566236858 491428778 /nfs/dbraw/zinc/42/87/78/491428778.db2.gz CEFSDMFFNAFHHB-CRAIPNDOSA-N 2 0 358.486 0.919 20 0 FCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1)S(C)(=O)=O ZINC000573379882 491429758 /nfs/dbraw/zinc/42/97/58/491429758.db2.gz VLAWEYWSRNCSLQ-UHFFFAOYSA-N 2 0 362.540 0.224 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000558418630 491429800 /nfs/dbraw/zinc/42/98/00/491429800.db2.gz KMDYXODUEQJHSP-CQSZACIVSA-N 2 0 362.465 0.880 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000668374106 493342751 /nfs/dbraw/zinc/34/27/51/493342751.db2.gz SSMXSZQUZKUWHD-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000573569071 491441097 /nfs/dbraw/zinc/44/10/97/491441097.db2.gz JCLOKDPNPXTWOH-JLJPHGGASA-N 2 0 351.472 0.866 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000573724060 491450560 /nfs/dbraw/zinc/45/05/60/491450560.db2.gz NTETYZAYJKMCRQ-XOXIHOGGSA-N 2 0 362.518 0.714 20 0 FCADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000566618212 491456306 /nfs/dbraw/zinc/45/63/06/491456306.db2.gz YJPRHIDAXOHOEC-WTGUMLROSA-N 2 0 370.582 0.540 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566728280 491462748 /nfs/dbraw/zinc/46/27/48/491462748.db2.gz VHPIWHHZRUBSCW-SJORKVTESA-N 2 0 359.474 0.634 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000573932281 491463921 /nfs/dbraw/zinc/46/39/21/491463921.db2.gz ICHGTLVGFYTAQX-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP COCCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000573950979 491464925 /nfs/dbraw/zinc/46/49/25/491464925.db2.gz GRFQYMUIAWQQLX-CQSZACIVSA-N 2 0 351.447 0.803 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000559445300 491473951 /nfs/dbraw/zinc/47/39/51/491473951.db2.gz DCZSVFRWSAQIDC-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000559464564 491475284 /nfs/dbraw/zinc/47/52/84/491475284.db2.gz FIJBPDDEWVXCHG-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1(C)C ZINC000559461672 491475419 /nfs/dbraw/zinc/47/54/19/491475419.db2.gz USILVIUHFXEGKQ-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389128 493345926 /nfs/dbraw/zinc/34/59/26/493345926.db2.gz ROWSXJCYYZEXCF-CVEARBPZSA-N 2 0 368.522 0.448 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000574308188 491488022 /nfs/dbraw/zinc/48/80/22/491488022.db2.gz QPJSVKDGVDQJMR-KRWDZBQOSA-N 2 0 367.538 0.058 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000574328507 491489350 /nfs/dbraw/zinc/48/93/50/491489350.db2.gz RTVJTIKMPYGGTK-IBGZPJMESA-N 2 0 359.518 0.527 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[NH2+]Cc2ccccc21 ZINC000574451401 491497957 /nfs/dbraw/zinc/49/79/57/491497957.db2.gz NYDJNMVFIBBZEE-GJZGRUSLSA-N 2 0 356.392 0.826 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000574463565 491498773 /nfs/dbraw/zinc/49/87/73/491498773.db2.gz RJLRTBIFDBNKQP-UHFFFAOYSA-N 2 0 360.462 0.710 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000559781202 491499236 /nfs/dbraw/zinc/49/92/36/491499236.db2.gz WRUUBZNDHPLOEU-IKGGRYGDSA-N 2 0 368.522 0.593 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466453 491499398 /nfs/dbraw/zinc/49/93/98/491499398.db2.gz GRUQHKHRPXWEDX-ZWKOTPCHSA-N 2 0 371.485 0.736 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000567368995 491502415 /nfs/dbraw/zinc/50/24/15/491502415.db2.gz NSUWCMXVHCPQQS-XUWVNRHRSA-N 2 0 365.522 0.696 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000559862370 491505610 /nfs/dbraw/zinc/50/56/10/491505610.db2.gz LBEFEVPMQJYJRN-YJBOKZPZSA-N 2 0 370.563 0.730 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000559862364 491505876 /nfs/dbraw/zinc/50/58/76/491505876.db2.gz LBEFEVPMQJYJRN-MAUKXSAKSA-N 2 0 370.563 0.730 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000559867247 491506118 /nfs/dbraw/zinc/50/61/18/491506118.db2.gz FVVDNOBOPOOYNH-MAUKXSAKSA-N 2 0 368.547 0.673 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000559868487 491506844 /nfs/dbraw/zinc/50/68/44/491506844.db2.gz YIXZDAZZGVMFEW-GOSISDBHSA-N 2 0 368.547 0.531 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567470097 491507613 /nfs/dbraw/zinc/50/76/13/491507613.db2.gz NTAKFEXWOIWPNB-OAGGEKHMSA-N 2 0 365.522 0.757 20 0 FCADRP Cc1ccc([C@H](NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000567487720 491509087 /nfs/dbraw/zinc/50/90/87/491509087.db2.gz XYVRHXAIXWRTDE-LNLFQRSKSA-N 2 0 356.470 0.806 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000574635468 491509846 /nfs/dbraw/zinc/50/98/46/491509846.db2.gz NJAOIOOADCCQEO-HUUCEWRRSA-N 2 0 352.866 0.927 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC000574663801 491511767 /nfs/dbraw/zinc/51/17/67/491511767.db2.gz PEFRJRCNURAEMU-UHFFFAOYSA-N 2 0 360.506 0.855 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000574688648 491513197 /nfs/dbraw/zinc/51/31/97/491513197.db2.gz QNVMTNFXGLGYGY-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000560015405 491514884 /nfs/dbraw/zinc/51/48/84/491514884.db2.gz GQEBOOZAIDRSDR-DLBZAZTESA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cc(F)cc3c2OCOC3)CC1 ZINC000567677350 491522636 /nfs/dbraw/zinc/52/26/36/491522636.db2.gz RGWQHGUXVIRZKY-KRWDZBQOSA-N 2 0 353.438 0.433 20 0 FCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000567811574 491531690 /nfs/dbraw/zinc/53/16/90/491531690.db2.gz WHBUVDRZWMUJLN-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)no1 ZINC000574989799 491532135 /nfs/dbraw/zinc/53/21/35/491532135.db2.gz OLQFJYGBTONQGX-ROUUACIJSA-N 2 0 372.469 1.564 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575025811 491534441 /nfs/dbraw/zinc/53/44/41/491534441.db2.gz XHHXPSUOOGHSAB-MRXNPFEDSA-N 2 0 353.511 0.224 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000575057827 491536626 /nfs/dbraw/zinc/53/66/26/491536626.db2.gz QVLUWWVMIAWTOD-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1=O ZINC000567982821 491544580 /nfs/dbraw/zinc/54/45/80/491544580.db2.gz SXRVQJMNFTUGJN-BWVQPMQLSA-N 2 0 362.518 0.666 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000560637500 491548118 /nfs/dbraw/zinc/54/81/18/491548118.db2.gz RCHNSKYMPMOBRG-QGZVFWFLSA-N 3 0 367.538 0.025 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000560733967 491554136 /nfs/dbraw/zinc/55/41/36/491554136.db2.gz AJURHSGYDWSLNE-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC(C)CC1 ZINC000560763096 491555595 /nfs/dbraw/zinc/55/55/95/491555595.db2.gz LOESDANNJKWLQI-HZPDHXFCSA-N 2 0 350.507 0.990 20 0 FCADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000575871983 491566678 /nfs/dbraw/zinc/56/66/78/491566678.db2.gz ZPIXIGATDXJZDH-KRWDZBQOSA-N 2 0 359.474 0.999 20 0 FCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000568287735 491566872 /nfs/dbraw/zinc/56/68/72/491566872.db2.gz IABVNEVCSSTKSI-GVDBMIGSSA-N 2 0 359.474 0.763 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000575901178 491568779 /nfs/dbraw/zinc/56/87/79/491568779.db2.gz CSXKYXCBHZSLJK-OAHLLOKOSA-N 2 0 362.474 0.441 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575902760 491569301 /nfs/dbraw/zinc/56/93/01/491569301.db2.gz XNFOGCLDJMDKDJ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000576054008 491578777 /nfs/dbraw/zinc/57/87/77/491578777.db2.gz KICFSBOWUOYQGL-HNNXBMFYSA-N 2 0 353.511 0.666 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000576100548 491581345 /nfs/dbraw/zinc/58/13/45/491581345.db2.gz PRAKYNBHWRVCAF-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561188102 491581467 /nfs/dbraw/zinc/58/14/67/491581467.db2.gz ZKANEOKPGGEVPW-FUHWJXTLSA-N 2 0 373.501 0.628 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561207731 491583468 /nfs/dbraw/zinc/58/34/68/491583468.db2.gz MGECEOSXNIJXAY-XHSDSOJGSA-N 2 0 351.495 0.357 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000576155750 491587420 /nfs/dbraw/zinc/58/74/20/491587420.db2.gz CEMZVLUKWOISNB-GOSISDBHSA-N 2 0 358.486 0.932 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1ccnn1C ZINC000576176202 491589530 /nfs/dbraw/zinc/58/95/30/491589530.db2.gz CXHYESFOAQMDGK-INIZCTEOSA-N 2 0 351.495 0.811 20 0 FCADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561285504 491594600 /nfs/dbraw/zinc/59/46/00/491594600.db2.gz XXGSHYOXGWWDPC-DOTOQJQBSA-N 2 0 359.474 0.380 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635270 491595593 /nfs/dbraw/zinc/59/55/93/491595593.db2.gz XAMGTQYKADOESZ-MDZRGWNJSA-N 2 0 366.506 0.204 20 0 FCADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661644 493354101 /nfs/dbraw/zinc/35/41/01/493354101.db2.gz JZEJOBOPQPGAKT-UYAOXDASSA-N 2 0 361.486 0.850 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000568729590 491603928 /nfs/dbraw/zinc/60/39/28/491603928.db2.gz PPGIQYAXSAERMZ-QZTJIDSGSA-N 2 0 352.523 0.820 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000576458646 491615998 /nfs/dbraw/zinc/61/59/98/491615998.db2.gz XPBHZPVDLFHFKZ-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577396012 491618496 /nfs/dbraw/zinc/61/84/96/491618496.db2.gz YBAPRBVSVILVAE-NXOAAHMSSA-N 2 0 363.506 0.367 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)c2ccccc2)CC1 ZINC000576513712 491621108 /nfs/dbraw/zinc/62/11/08/491621108.db2.gz CAPAMRLAZTYGQV-MOPGFXCFSA-N 2 0 360.502 0.860 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000568966706 491622652 /nfs/dbraw/zinc/62/26/52/491622652.db2.gz RHUYGVHRMKNWFG-INIZCTEOSA-N 2 0 365.522 0.714 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCCC1 ZINC000561652458 491622952 /nfs/dbraw/zinc/62/29/52/491622952.db2.gz KQDUKUPZVRMEGE-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)nc2)CC1 ZINC000577488318 491625705 /nfs/dbraw/zinc/62/57/05/491625705.db2.gz VTACGCGUNMTVDA-CYBMUJFWSA-N 2 0 355.446 0.886 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569002300 491625991 /nfs/dbraw/zinc/62/59/91/491625991.db2.gz ASJHJHOKMIZYGD-CAOSSQGBSA-N 2 0 368.522 0.576 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008762 491627258 /nfs/dbraw/zinc/62/72/58/491627258.db2.gz YOGFCQKEWQSGLA-ROUUACIJSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745874 491628375 /nfs/dbraw/zinc/62/83/75/491628375.db2.gz CEECOHCXTXZGHS-HZMVEIRTSA-N 2 0 350.507 0.585 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569120055 491635654 /nfs/dbraw/zinc/63/56/54/491635654.db2.gz YCACFNUKOPYANU-DOTOQJQBSA-N 2 0 353.507 0.994 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1[NH2+]CCc2ccccc21 ZINC000576730264 491640456 /nfs/dbraw/zinc/64/04/56/491640456.db2.gz OJQNJRUVOFVGQJ-HUUCEWRRSA-N 2 0 356.392 0.826 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724958 491646058 /nfs/dbraw/zinc/64/60/58/491646058.db2.gz RHLMNFYTEVPABN-SJORKVTESA-N 2 0 365.522 0.572 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000569251166 491646126 /nfs/dbraw/zinc/64/61/26/491646126.db2.gz JPCGDCXKOSKXMA-ZBFHGGJFSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000577728588 491646638 /nfs/dbraw/zinc/64/66/38/491646638.db2.gz LGUXKSYDAVVULD-QUCCMNQESA-N 2 0 370.497 0.751 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000577740741 491647836 /nfs/dbraw/zinc/64/78/36/491647836.db2.gz QIOZZMDEGFMDRB-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849740 491650649 /nfs/dbraw/zinc/65/06/49/491650649.db2.gz DJPBWHOLFRYOLJ-BSDSXHPESA-N 2 0 374.460 0.822 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000576934963 491658119 /nfs/dbraw/zinc/65/81/19/491658119.db2.gz XJMRVTZQUFSYRL-ARFHVFGLSA-N 2 0 350.507 0.763 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000578011017 491667769 /nfs/dbraw/zinc/66/77/69/491667769.db2.gz MACUHBNKOLMXTA-UHFFFAOYSA-N 2 0 362.474 0.363 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000578340920 491675106 /nfs/dbraw/zinc/67/51/06/491675106.db2.gz NIKPDHVJDLUBDW-GDBMZVCRSA-N 2 0 354.495 0.012 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000578489146 491678193 /nfs/dbraw/zinc/67/81/93/491678193.db2.gz HLGFCVOQVKOGTD-QGZVFWFLSA-N 2 0 374.466 0.749 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000578497241 491678335 /nfs/dbraw/zinc/67/83/35/491678335.db2.gz IQKSYFWIOKCUJE-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000578497675 491678437 /nfs/dbraw/zinc/67/84/37/491678437.db2.gz UDRFUPNGAODJLF-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000579018007 491689246 /nfs/dbraw/zinc/68/92/46/491689246.db2.gz MLUZUOHOQHZUOP-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP NC(=O)NC(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000579112126 491691224 /nfs/dbraw/zinc/69/12/24/491691224.db2.gz APHIXEJALITHHS-OAHLLOKOSA-N 2 0 361.446 0.059 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000579453788 491698190 /nfs/dbraw/zinc/69/81/90/491698190.db2.gz UBLKHKSOLIQDST-MXSMSXNCSA-N 2 0 362.518 0.966 20 0 FCADRP Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[NH+](C)C)cc1 ZINC000579616262 491701732 /nfs/dbraw/zinc/70/17/32/491701732.db2.gz KPXOEBSSKPNSAO-ZACQAIPSSA-N 2 0 359.474 0.551 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000579692575 491703102 /nfs/dbraw/zinc/70/31/02/491703102.db2.gz HCVAROWZZIHGRF-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)CC[NH2+]CC2 ZINC000579824081 491705952 /nfs/dbraw/zinc/70/59/52/491705952.db2.gz YGJZUKHAWQZZQB-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930077 491709318 /nfs/dbraw/zinc/70/93/18/491709318.db2.gz QESNOVPJNGBRCZ-FUHWJXTLSA-N 2 0 358.486 0.930 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000579935645 491709735 /nfs/dbraw/zinc/70/97/35/491709735.db2.gz MJKOIEBNRPLCRS-GOSISDBHSA-N 2 0 354.495 0.509 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000579952822 491710785 /nfs/dbraw/zinc/71/07/85/491710785.db2.gz QWDONJWAUWJYGQ-HUUCEWRRSA-N 2 0 364.490 0.827 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000580006180 491713444 /nfs/dbraw/zinc/71/34/44/491713444.db2.gz OOODIOQGGBMAOA-CVEARBPZSA-N 2 0 350.507 0.991 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584778589 491713810 /nfs/dbraw/zinc/71/38/10/491713810.db2.gz PNMOVXBXFFCZSZ-WMLDXEAASA-N 2 0 359.474 0.591 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000580062311 491715334 /nfs/dbraw/zinc/71/53/34/491715334.db2.gz DOAWSAKRIVZLTL-IRXDYDNUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584807887 491715423 /nfs/dbraw/zinc/71/54/23/491715423.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 2 0 368.566 0.291 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584836156 491716480 /nfs/dbraw/zinc/71/64/80/491716480.db2.gz BDDFCUIASCTCDB-CRAIPNDOSA-N 2 0 373.501 0.982 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000580125458 491718669 /nfs/dbraw/zinc/71/86/69/491718669.db2.gz KWUZZPCOGZUHAT-FMKPAKJESA-N 2 0 350.507 0.917 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000580143405 491719295 /nfs/dbraw/zinc/71/92/95/491719295.db2.gz LMHPBFYJIMPMDT-KYHPRHEASA-N 2 0 371.485 0.705 20 0 FCADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)COC3CCOCC3)ccn2)CC1 ZINC000580422401 491730614 /nfs/dbraw/zinc/73/06/14/491730614.db2.gz DWCYEMDGBMOCMY-KRWDZBQOSA-N 2 0 364.490 0.480 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000580559627 491736234 /nfs/dbraw/zinc/73/62/34/491736234.db2.gz SGYGXBQBIRDLDA-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP CO[C@@H]1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000580565145 491736517 /nfs/dbraw/zinc/73/65/17/491736517.db2.gz WLQRZZOHDJKLGP-GOEBONIOSA-N 2 0 371.503 0.754 20 0 FCADRP CC(C)n1cc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000580667897 491740918 /nfs/dbraw/zinc/74/09/18/491740918.db2.gz UDCBZYCAXDFNLY-HNNXBMFYSA-N 2 0 366.510 0.593 20 0 FCADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000588294724 491743839 /nfs/dbraw/zinc/74/38/39/491743839.db2.gz IJIMBXDMBCXGRW-INIZCTEOSA-N 2 0 355.527 0.959 20 0 FCADRP CCOC(=O)c1ccccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580812812 491746919 /nfs/dbraw/zinc/74/69/19/491746919.db2.gz WZXYNPDOIJLNBG-UHFFFAOYSA-N 2 0 371.503 0.977 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000580861051 491749498 /nfs/dbraw/zinc/74/94/98/491749498.db2.gz RBVNYHJCEGZLEF-OWCLPIDISA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882636 491750047 /nfs/dbraw/zinc/75/00/47/491750047.db2.gz GFAJBRMXPCQVMT-XBFCOCLRSA-N 2 0 363.428 0.604 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000588967645 491752680 /nfs/dbraw/zinc/75/26/80/491752680.db2.gz TZGDEWJXCMDNKC-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP CN1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)[C@@H](C[NH3+])C1 ZINC000581061343 491757579 /nfs/dbraw/zinc/75/75/79/491757579.db2.gz SKIGFLKNRZMVEG-NSHDSACASA-N 2 0 371.367 0.532 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000581721864 491784068 /nfs/dbraw/zinc/78/40/68/491784068.db2.gz TUEJZTKSEFJMDD-JKSUJKDBSA-N 2 0 367.490 0.669 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000590817504 491787527 /nfs/dbraw/zinc/78/75/27/491787527.db2.gz FFHVRONTQXWYHK-UHFFFAOYSA-N 2 0 361.446 0.455 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000581884698 491789001 /nfs/dbraw/zinc/78/90/01/491789001.db2.gz SZCYOOPAGICVKE-UHFFFAOYSA-N 2 0 366.487 0.737 20 0 FCADRP CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891536 491789028 /nfs/dbraw/zinc/78/90/28/491789028.db2.gz OBZJKKKIUKLFNX-UYAOXDASSA-N 2 0 358.486 0.996 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581895888 491789619 /nfs/dbraw/zinc/78/96/19/491789619.db2.gz RXFGDHHDPZPJNZ-ARFHVFGLSA-N 2 0 351.495 0.450 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000582051778 491795712 /nfs/dbraw/zinc/79/57/12/491795712.db2.gz FLMBXMHQIYCVBZ-SFHVURJKSA-N 2 0 373.501 0.854 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000582051777 491795769 /nfs/dbraw/zinc/79/57/69/491795769.db2.gz FLMBXMHQIYCVBZ-GOSISDBHSA-N 2 0 373.501 0.854 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000582235620 491803608 /nfs/dbraw/zinc/80/36/08/491803608.db2.gz IFSBSRRQTHRVNL-QKLQHJQFSA-N 2 0 356.470 0.494 20 0 FCADRP CC[N@H+](C)CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591580805 491809263 /nfs/dbraw/zinc/80/92/63/491809263.db2.gz ZLCQXPIYOSZYHB-UHFFFAOYSA-N 2 0 363.510 0.630 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000582487162 491814729 /nfs/dbraw/zinc/81/47/29/491814729.db2.gz YBHVTVONMNVMBW-FPCVCCKLSA-N 2 0 356.511 0.482 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000582653615 491821275 /nfs/dbraw/zinc/82/12/75/491821275.db2.gz DJMRPZNDWYBRTF-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000582727935 491824297 /nfs/dbraw/zinc/82/42/97/491824297.db2.gz SNQFTTOFJNLWMF-HOCLYGCPSA-N 2 0 360.414 0.915 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000583260705 491841015 /nfs/dbraw/zinc/84/10/15/491841015.db2.gz ZGGFVLFRAQTYAT-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP COC(=O)CN1CCC[C@@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262151 491841139 /nfs/dbraw/zinc/84/11/39/491841139.db2.gz UMRHEJGNBVJCBW-JXFKEZNVSA-N 2 0 359.470 0.919 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000583527667 491846786 /nfs/dbraw/zinc/84/67/86/491846786.db2.gz MSIIIFQNGJQTHG-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000583644648 491849394 /nfs/dbraw/zinc/84/93/94/491849394.db2.gz NFZKHCAVRGJDAM-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583742773 491850974 /nfs/dbraw/zinc/85/09/74/491850974.db2.gz CYQWQOSXVPYFFV-HRCADAONSA-N 2 0 351.495 0.357 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000583771517 491851732 /nfs/dbraw/zinc/85/17/32/491851732.db2.gz KUVZSTLYULEWDO-YESZJQIVSA-N 2 0 356.511 0.440 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)C2)C1 ZINC000583866130 491853596 /nfs/dbraw/zinc/85/35/96/491853596.db2.gz WKADBBWQFQWJTM-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881709 491854159 /nfs/dbraw/zinc/85/41/59/491854159.db2.gz JIWNQYAUZFTTAN-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)c3cn(CCC[NH3+])nn3)CCCC2)CC1 ZINC000584111197 491858623 /nfs/dbraw/zinc/85/86/23/491858623.db2.gz QOILAKMBJTULEW-UHFFFAOYSA-N 2 0 364.494 0.780 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000584172771 491860005 /nfs/dbraw/zinc/86/00/05/491860005.db2.gz DLXPXVNUOHOQBK-UONOGXRCSA-N 2 0 352.454 0.958 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]12 ZINC000584226073 491861043 /nfs/dbraw/zinc/86/10/43/491861043.db2.gz HMMAHTCVSHWYOO-GUDVDZBRSA-N 2 0 370.497 0.917 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000594871817 491868919 /nfs/dbraw/zinc/86/89/19/491868919.db2.gz GAEORKMDILNVQT-RCCFBDPRSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000612463964 491921037 /nfs/dbraw/zinc/92/10/37/491921037.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 0 350.385 0.338 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000612547524 491932452 /nfs/dbraw/zinc/93/24/52/491932452.db2.gz FJRQVXWXDLDPAZ-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612603759 491938445 /nfs/dbraw/zinc/93/84/45/491938445.db2.gz LLGLKADVQMRTQU-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612603755 491938613 /nfs/dbraw/zinc/93/86/13/491938613.db2.gz LLGLKADVQMRTQU-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000612740087 491948452 /nfs/dbraw/zinc/94/84/52/491948452.db2.gz WZTOEDMONFQESH-SHTZXODSSA-N 2 0 356.511 0.401 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000612777507 491950215 /nfs/dbraw/zinc/95/02/15/491950215.db2.gz KNFSUTVRRYHDEO-ZWKOTPCHSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000612777504 491950321 /nfs/dbraw/zinc/95/03/21/491950321.db2.gz KNFSUTVRRYHDEO-MSOLQXFVSA-N 2 0 362.518 0.777 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612988290 491960849 /nfs/dbraw/zinc/96/08/49/491960849.db2.gz PXCMITDWYMKKFB-KRWDZBQOSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612983601 491961093 /nfs/dbraw/zinc/96/10/93/491961093.db2.gz OMRORTKOCMFTBP-MSOLQXFVSA-N 2 0 358.486 0.847 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000602125562 491962026 /nfs/dbraw/zinc/96/20/26/491962026.db2.gz ZCBZHQIWXITCGS-FGTMMUONSA-N 2 0 350.507 0.477 20 0 FCADRP CCOC(=O)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000613729353 491993786 /nfs/dbraw/zinc/99/37/86/491993786.db2.gz BCMNKSXBIMDOFO-AWEZNQCLSA-N 2 0 352.479 0.797 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000597409256 492036552 /nfs/dbraw/zinc/03/65/52/492036552.db2.gz QMZGUDJBILCEBN-HNNXBMFYSA-N 2 0 355.527 0.959 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000604164244 492052046 /nfs/dbraw/zinc/05/20/46/492052046.db2.gz CSKHDWUZNZIPJA-INIZCTEOSA-N 2 0 358.490 0.869 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000615215679 492078892 /nfs/dbraw/zinc/07/88/92/492078892.db2.gz MMZMCSWJTGMXJL-OAGGEKHMSA-N 2 0 358.527 0.094 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000605852970 492104310 /nfs/dbraw/zinc/10/43/10/492104310.db2.gz WMYCZHBBYDACSS-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000605902864 492106155 /nfs/dbraw/zinc/10/61/55/492106155.db2.gz VLGVXBRXCCLSKV-SCTDSRPQSA-N 2 0 355.523 0.501 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606701250 492127284 /nfs/dbraw/zinc/12/72/84/492127284.db2.gz ZBBNOHQEBOFDKJ-MRXNPFEDSA-N 2 0 365.522 0.666 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607245645 492142259 /nfs/dbraw/zinc/14/22/59/492142259.db2.gz LRVPMBZXNZVMKX-HZPDHXFCSA-N 2 0 355.527 0.768 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608013492 492162075 /nfs/dbraw/zinc/16/20/75/492162075.db2.gz KGUAXJIGUHEIIJ-PXNSSMCTSA-N 2 0 360.502 0.376 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608013491 492162227 /nfs/dbraw/zinc/16/22/27/492162227.db2.gz KGUAXJIGUHEIIJ-FXAWDEMLSA-N 2 0 360.502 0.376 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691078 492187091 /nfs/dbraw/zinc/18/70/91/492187091.db2.gz SQRTWRIGDVERQX-CVEARBPZSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785217 492305145 /nfs/dbraw/zinc/30/51/45/492305145.db2.gz YUMIIQGBSVMXNS-DLBZAZTESA-N 2 0 367.538 0.565 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840655 492316509 /nfs/dbraw/zinc/31/65/09/492316509.db2.gz ASBSKHWDSMHZTP-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841190 492317993 /nfs/dbraw/zinc/31/79/93/492317993.db2.gz NWLCOWCXSYZNPN-SQNIBIBYSA-N 2 0 365.522 0.129 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)CC1 ZINC000627483463 492318029 /nfs/dbraw/zinc/31/80/29/492318029.db2.gz GGUJAFLTQWXQMD-GMRIPVOYSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000642047373 492329221 /nfs/dbraw/zinc/32/92/21/492329221.db2.gz FDQCXAMANHZRRZ-HYVNUMGLSA-N 2 0 362.474 0.289 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260029 492330737 /nfs/dbraw/zinc/33/07/37/492330737.db2.gz PQUXHAJIBISNOL-SJORKVTESA-N 2 0 365.522 0.714 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000642076259 492331654 /nfs/dbraw/zinc/33/16/54/492331654.db2.gz SBGBJAPLMLNJIN-PBHICJAKSA-N 2 0 362.474 0.802 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000642080269 492331773 /nfs/dbraw/zinc/33/17/73/492331773.db2.gz CQJLEVLDIOCGPJ-YNEHKIRRSA-N 2 0 354.476 0.042 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642094915 492333947 /nfs/dbraw/zinc/33/39/47/492333947.db2.gz ROONYMSLJCJXOC-BZSNNMDCSA-N 2 0 358.486 0.486 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000642101813 492334743 /nfs/dbraw/zinc/33/47/43/492334743.db2.gz QWZZGWAQHIXPJZ-KURKYZTESA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195156 492340027 /nfs/dbraw/zinc/34/00/27/492340027.db2.gz ABKGYEUHCLSXGB-KLHDSHLOSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194119 492340319 /nfs/dbraw/zinc/34/03/19/492340319.db2.gz XRJJUTZKGQNQNN-NBOOPKSLSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCCCC1 ZINC000642220441 492342286 /nfs/dbraw/zinc/34/22/86/492342286.db2.gz DHSCCLUZDULKCG-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCCCCC1 ZINC000642220440 492342827 /nfs/dbraw/zinc/34/28/27/492342827.db2.gz DHSCCLUZDULKCG-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)([NH+](C)C)C1 ZINC000642236439 492343565 /nfs/dbraw/zinc/34/35/65/492343565.db2.gz RCFULGHRHIPZIW-OLMMMNRUSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000654736553 492346025 /nfs/dbraw/zinc/34/60/25/492346025.db2.gz AYBJMNXFMYQOIX-CVEARBPZSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000642332349 492351965 /nfs/dbraw/zinc/35/19/65/492351965.db2.gz GGTMVWGBINBUEH-KBAYOESNSA-N 2 0 373.501 0.039 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000642344795 492353480 /nfs/dbraw/zinc/35/34/80/492353480.db2.gz YQHNSBLQBGPAPM-UHFFFAOYSA-N 2 0 368.547 0.723 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703078 492360505 /nfs/dbraw/zinc/36/05/05/492360505.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 2 0 374.529 0.800 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000642550368 492363554 /nfs/dbraw/zinc/36/35/54/492363554.db2.gz FNWHTOIJUIWRRB-JQHSSLGASA-N 2 0 374.485 0.342 20 0 FCADRP C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C)[NH+]1CC(C)C1)[NH+]1CC(C)C1 ZINC000654881120 492368057 /nfs/dbraw/zinc/36/80/57/492368057.db2.gz ZHJDMRTUGXMRDF-IAGOWNOFSA-N 2 0 352.523 0.974 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642640154 492368328 /nfs/dbraw/zinc/36/83/28/492368328.db2.gz AULBWZQXZQWDIO-IXDOHACOSA-N 2 0 350.507 0.681 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640887 492368989 /nfs/dbraw/zinc/36/89/89/492368989.db2.gz ISOVKRBOMSCCRY-WJFTUGDTSA-N 2 0 370.497 0.963 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642645037 492369831 /nfs/dbraw/zinc/36/98/31/492369831.db2.gz GCSAADZBWIDGIJ-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642680343 492372409 /nfs/dbraw/zinc/37/24/09/492372409.db2.gz ZECHYOSGVAICCN-OTWHNJEPSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000642712279 492377695 /nfs/dbraw/zinc/37/76/95/492377695.db2.gz FKHZJFBIKIBOOA-OLZOCXBDSA-N 2 0 365.453 0.218 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)Cc2ccccc2C1 ZINC000642725995 492380615 /nfs/dbraw/zinc/38/06/15/492380615.db2.gz XPRVABHVBUUPKR-YJBOKZPZSA-N 2 0 370.497 0.412 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000642726000 492380940 /nfs/dbraw/zinc/38/09/40/492380940.db2.gz YFYLACDCNXXVCW-GOSISDBHSA-N 2 0 372.513 0.658 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000642731741 492382182 /nfs/dbraw/zinc/38/21/82/492382182.db2.gz YLGCTCKAVHQGAW-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642732919 492382879 /nfs/dbraw/zinc/38/28/79/492382879.db2.gz CLJZKHDRVBCNGP-IEBWSBKVSA-N 2 0 370.497 0.761 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642750500 492385390 /nfs/dbraw/zinc/38/53/90/492385390.db2.gz GXRVZYCIMVWQKQ-JKSUJKDBSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000642787860 492391732 /nfs/dbraw/zinc/39/17/32/492391732.db2.gz IFCRNEMQGUGFKB-YOEHRIQHSA-N 2 0 366.506 0.474 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000642789436 492392548 /nfs/dbraw/zinc/39/25/48/492392548.db2.gz GTFKXQORNHMPFD-CVEARBPZSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1[NH3+] ZINC000642793124 492393324 /nfs/dbraw/zinc/39/33/24/492393324.db2.gz IUMGNJUIMYVLGN-UONOGXRCSA-N 2 0 354.520 0.270 20 0 FCADRP Cn1nc2c(c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC2 ZINC000635121790 492395862 /nfs/dbraw/zinc/39/58/62/492395862.db2.gz BIZJHMVCZRFWFW-UHFFFAOYSA-N 2 0 364.494 0.189 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000642808980 492396750 /nfs/dbraw/zinc/39/67/50/492396750.db2.gz YKIKMOISKAQKND-INIZCTEOSA-N 2 0 350.438 0.632 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642892859 492397525 /nfs/dbraw/zinc/39/75/25/492397525.db2.gz XLAWKMJBNIIOQK-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000621642619 492399142 /nfs/dbraw/zinc/39/91/42/492399142.db2.gz RJMSTZRDYWXWRE-IXDOHACOSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902477 492399366 /nfs/dbraw/zinc/39/93/66/492399366.db2.gz TXXVBJCVTLPOFU-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903936 492400287 /nfs/dbraw/zinc/40/02/87/492400287.db2.gz PCYIRVHOHAZRCS-HNNXBMFYSA-N 2 0 352.504 0.897 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918080 492403252 /nfs/dbraw/zinc/40/32/52/492403252.db2.gz MGCVFYFULLHRGY-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP CCN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642918813 492403530 /nfs/dbraw/zinc/40/35/30/492403530.db2.gz DAPBKGARDULKKZ-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919824 492404020 /nfs/dbraw/zinc/40/40/20/492404020.db2.gz IXKNNSDOBCESNT-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924107 492404404 /nfs/dbraw/zinc/40/44/04/492404404.db2.gz LDKMSKBTQVCAPF-AEFFLSMTSA-N 2 0 356.470 0.588 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000642921660 492405054 /nfs/dbraw/zinc/40/50/54/492405054.db2.gz FWWCFUZLVXDXIR-KRWDZBQOSA-N 2 0 353.426 0.546 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979760 492409490 /nfs/dbraw/zinc/40/94/90/492409490.db2.gz KGXZEHQSXGXOQM-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979759 492409618 /nfs/dbraw/zinc/40/96/18/492409618.db2.gz KGXZEHQSXGXOQM-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983100 492410923 /nfs/dbraw/zinc/41/09/23/492410923.db2.gz GFVFNOOGVIGECN-SJLPKXTDSA-N 2 0 356.470 0.849 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000621841531 492423926 /nfs/dbraw/zinc/42/39/26/492423926.db2.gz WKARSFILXKIQRV-QRWLVFNGSA-N 2 0 371.485 0.502 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000621845395 492425291 /nfs/dbraw/zinc/42/52/91/492425291.db2.gz IRHFUIDQHKSJIY-UZLBHIALSA-N 2 0 371.485 0.754 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028856 492443287 /nfs/dbraw/zinc/44/32/87/492443287.db2.gz WURYNASEMLAQCG-APWZRJJASA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028859 492443556 /nfs/dbraw/zinc/44/35/56/492443556.db2.gz WURYNASEMLAQCG-VQIMIIECSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028514 492443696 /nfs/dbraw/zinc/44/36/96/492443696.db2.gz RHKKFJUWRCPXHN-KHYOSLBOSA-N 2 0 364.490 0.038 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622030562 492445289 /nfs/dbraw/zinc/44/52/89/492445289.db2.gz XPNUDVQOXNGFII-HNAYVOBHSA-N 2 0 366.506 0.286 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000635489871 492458204 /nfs/dbraw/zinc/45/82/04/492458204.db2.gz ZHRMUVHPMBBPKI-SFHVURJKSA-N 2 0 360.502 0.865 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000648839045 492464460 /nfs/dbraw/zinc/46/44/60/492464460.db2.gz IRXCIXXEGQVCEQ-NXHRZFHOSA-N 2 0 360.502 0.732 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000648840781 492464641 /nfs/dbraw/zinc/46/46/41/492464641.db2.gz IMQLQNBDBJCSQU-BZUAXINKSA-N 2 0 359.536 0.684 20 0 FCADRP CCOC(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648858104 492466745 /nfs/dbraw/zinc/46/67/45/492466745.db2.gz GRJHOUTYBSFUCB-MUIFIZLQSA-N 2 0 368.522 0.304 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628105444 492467061 /nfs/dbraw/zinc/46/70/61/492467061.db2.gz YNGWBDVSFXNRQD-KRWDZBQOSA-N 2 0 362.474 0.650 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478993 492475077 /nfs/dbraw/zinc/47/50/77/492475077.db2.gz ZKBWVYHHZQZWFT-IAGOWNOFSA-N 2 0 371.485 0.578 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000643483142 492476794 /nfs/dbraw/zinc/47/67/94/492476794.db2.gz LMJKOLNUUYDJNK-GOEBONIOSA-N 2 0 352.479 0.038 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480976 492477161 /nfs/dbraw/zinc/47/71/61/492477161.db2.gz HROIPZAXWGGNTI-WMZOPIPTSA-N 2 0 374.485 0.296 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000643483270 492477207 /nfs/dbraw/zinc/47/72/07/492477207.db2.gz DBNIETXEPGTBJH-NVXWUHKLSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643494630 492481276 /nfs/dbraw/zinc/48/12/76/492481276.db2.gz REBFPIFQJLBRIT-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000643500315 492482934 /nfs/dbraw/zinc/48/29/34/492482934.db2.gz BTOVXMYCGSYXQX-KRWDZBQOSA-N 2 0 350.507 0.777 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502453 492483588 /nfs/dbraw/zinc/48/35/88/492483588.db2.gz GXCOAETUBQHTKE-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C[C@@H]1[NH3+] ZINC000643509830 492485341 /nfs/dbraw/zinc/48/53/41/492485341.db2.gz XTMWJLJXCBWYRC-ZACQAIPSSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643525037 492490068 /nfs/dbraw/zinc/49/00/68/492490068.db2.gz NGQZUFGSCQMPKE-KSZLIROESA-N 2 0 362.518 0.779 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643531851 492492072 /nfs/dbraw/zinc/49/20/72/492492072.db2.gz PRYRZVSUDGSPAK-RXVVDRJESA-N 2 0 370.497 0.931 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532540 492492751 /nfs/dbraw/zinc/49/27/51/492492751.db2.gz TYPJCXCTJYDZCC-INDMIFKZSA-N 2 0 370.497 0.882 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549723 492496647 /nfs/dbraw/zinc/49/66/47/492496647.db2.gz GMZWSSWERQLMHH-KNBMTAEXSA-N 2 0 360.502 0.674 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549726 492497140 /nfs/dbraw/zinc/49/71/40/492497140.db2.gz GMZWSSWERQLMHH-VPWXQRGCSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCO1 ZINC000643577750 492499948 /nfs/dbraw/zinc/49/99/48/492499948.db2.gz SRAYRDRNLRAUFW-HOCLYGCPSA-N 2 0 366.462 0.135 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594272 492503748 /nfs/dbraw/zinc/50/37/48/492503748.db2.gz XLUWQXLQONKZFC-XDNAFOTISA-N 2 0 362.518 0.920 20 0 FCADRP NC(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c[nH]1 ZINC000623110951 492513230 /nfs/dbraw/zinc/51/32/30/492513230.db2.gz XRIROHKQKBWXQF-UHFFFAOYSA-N 2 0 356.430 0.451 20 0 FCADRP COC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635835872 492513612 /nfs/dbraw/zinc/51/36/12/492513612.db2.gz YBFQSPDGNJCKNZ-PMPSAXMXSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000649311270 492529191 /nfs/dbraw/zinc/52/91/91/492529191.db2.gz BVHNLBUUXIBMBE-WMLDXEAASA-N 2 0 354.458 0.989 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nn1 ZINC000649309561 492529293 /nfs/dbraw/zinc/52/92/93/492529293.db2.gz WUPKENDVFRXEBV-HLLBOEOZSA-N 2 0 362.478 0.067 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)Cc2ccccc2C1 ZINC000649338949 492539120 /nfs/dbraw/zinc/53/91/20/492539120.db2.gz PWISCORQKIGWTR-MRXNPFEDSA-N 2 0 354.458 0.642 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351811 492543402 /nfs/dbraw/zinc/54/34/02/492543402.db2.gz USOWQWMGYXXPQH-AWEZNQCLSA-N 2 0 353.417 0.694 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000649352016 492546032 /nfs/dbraw/zinc/54/60/32/492546032.db2.gz HVRGJIVKIPSFQO-MRXNPFEDSA-N 3 0 367.444 0.955 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC[C@H]1[NH3+] ZINC000649358932 492547213 /nfs/dbraw/zinc/54/72/13/492547213.db2.gz JFDQBBCMBRENHW-QBPKDAKJSA-N 2 0 350.507 0.905 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000636155870 492557969 /nfs/dbraw/zinc/55/79/69/492557969.db2.gz CWVRIKNRSFCIFU-ROUUACIJSA-N 2 0 351.491 0.857 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000656297427 492576196 /nfs/dbraw/zinc/57/61/96/492576196.db2.gz BBVRXOAHMCYDFG-UHFFFAOYSA-N 2 0 356.511 0.404 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000656300258 492577352 /nfs/dbraw/zinc/57/73/52/492577352.db2.gz MZYRDHDUGZXHCX-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000629173218 492582448 /nfs/dbraw/zinc/58/24/48/492582448.db2.gz NAMMERIJNUQDLD-LJQANCHMSA-N 2 0 360.502 0.690 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1C ZINC000656311763 492585677 /nfs/dbraw/zinc/58/56/77/492585677.db2.gz HTCCXWKAOUMTCV-GJZGRUSLSA-N 2 0 362.478 0.235 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656336893 492601131 /nfs/dbraw/zinc/60/11/31/492601131.db2.gz DLHMDGCBHUHFGU-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCOc1cccc(CNc2nc(N)[nH+]c(N)n2)c1)C1CCOCC1 ZINC000623935044 492607285 /nfs/dbraw/zinc/60/72/85/492607285.db2.gz PTJLBNVZCQQUGU-UHFFFAOYSA-N 2 0 373.461 0.220 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000624368186 492641168 /nfs/dbraw/zinc/64/11/68/492641168.db2.gz GXZJCZNJKRXQHQ-UHFFFAOYSA-N 2 0 366.487 0.210 20 0 FCADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000629558102 492644537 /nfs/dbraw/zinc/64/45/37/492644537.db2.gz AQBSKQHKFMRYEJ-AWEZNQCLSA-N 2 0 358.446 0.765 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)nn1 ZINC000644161544 492655024 /nfs/dbraw/zinc/65/50/24/492655024.db2.gz SYEVIOBJPSNSLP-UHFFFAOYSA-N 2 0 373.461 0.163 20 0 FCADRP COCCOCCN1CCN(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000650850464 492675747 /nfs/dbraw/zinc/67/57/47/492675747.db2.gz PZLQIWQYJHXIGI-DLBZAZTESA-N 2 0 372.510 0.086 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC000629813263 492684628 /nfs/dbraw/zinc/68/46/28/492684628.db2.gz IRMZRWMTYQSZNS-NDBYEHHHSA-N 2 0 362.396 0.135 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000636939820 492733185 /nfs/dbraw/zinc/73/31/85/492733185.db2.gz GRYRZYGFQCFATK-BRWVUGGUSA-N 2 0 354.495 0.120 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439646 492757829 /nfs/dbraw/zinc/75/78/29/492757829.db2.gz RXYPCLOBHOYUCN-MJGOQNOKSA-N 2 0 370.538 0.976 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000657873538 492807194 /nfs/dbraw/zinc/80/71/94/492807194.db2.gz JVAGCTCSEBPFPO-QGZVFWFLSA-N 2 0 357.458 0.427 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+](C2CCC2)C1 ZINC000637373762 492813267 /nfs/dbraw/zinc/81/32/67/492813267.db2.gz TYVSJMNOHVLHAU-RDJZCZTQSA-N 2 0 365.522 0.842 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375358 492814427 /nfs/dbraw/zinc/81/44/27/492814427.db2.gz IWHZSAJHJQRZNH-OAGGEKHMSA-N 2 0 351.495 0.452 20 0 FCADRP CCN1C[C@@H](S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000631645406 492828816 /nfs/dbraw/zinc/82/88/16/492828816.db2.gz PTDMRPFVCOPMMI-HNNXBMFYSA-N 2 0 362.540 0.142 20 0 FCADRP COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990002 492836282 /nfs/dbraw/zinc/83/62/82/492836282.db2.gz PRSGJESJHDZSGU-WTGUMLROSA-N 2 0 356.514 0.998 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000631730630 492843375 /nfs/dbraw/zinc/84/33/75/492843375.db2.gz ZMXGJQJYCJJCFK-UHFFFAOYSA-N 2 0 360.568 0.808 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000637841012 492871423 /nfs/dbraw/zinc/87/14/23/492871423.db2.gz RORNUCHYNJKAOE-DLBZAZTESA-N 2 0 365.522 0.747 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000645178559 492875349 /nfs/dbraw/zinc/87/53/49/492875349.db2.gz LGJRNHZGMNMFON-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000631910027 492876771 /nfs/dbraw/zinc/87/67/71/492876771.db2.gz VFFBWLCLSBACGC-MRXNPFEDSA-N 2 0 352.504 0.779 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652159164 492889062 /nfs/dbraw/zinc/88/90/62/492889062.db2.gz SMZRTKNLDHWXJR-BBWFWOEESA-N 2 0 356.511 0.883 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652159166 492889154 /nfs/dbraw/zinc/88/91/54/492889154.db2.gz SMZRTKNLDHWXJR-ULQDDVLXSA-N 2 0 356.511 0.883 20 0 FCADRP CCCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645296019 492889747 /nfs/dbraw/zinc/88/97/47/492889747.db2.gz CBRNNHJWFQOQJK-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638101279 492905309 /nfs/dbraw/zinc/90/53/09/492905309.db2.gz PEPVLFXQLCSKFB-NEPJUHHUSA-N 2 0 354.405 0.964 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638116309 492909944 /nfs/dbraw/zinc/90/99/44/492909944.db2.gz CNZWTTZRBQCVQP-LJQANCHMSA-N 2 0 372.513 0.398 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625993169 492911837 /nfs/dbraw/zinc/91/18/37/492911837.db2.gz KYGUVXSUJTWZPZ-LJQANCHMSA-N 2 0 350.507 0.825 20 0 FCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652348859 492913238 /nfs/dbraw/zinc/91/32/38/492913238.db2.gz UFZOGYWJDVBASS-LTIDMASMSA-N 2 0 359.536 0.876 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000638132728 492913854 /nfs/dbraw/zinc/91/38/54/492913854.db2.gz SFKVTTVPXBDFQF-KXBFYZLASA-N 2 0 368.522 0.496 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CCO2 ZINC000645492253 492914552 /nfs/dbraw/zinc/91/45/52/492914552.db2.gz OLBCIODFOZJRLS-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138225 492915466 /nfs/dbraw/zinc/91/54/66/492915466.db2.gz YHLXEPCNBSQRSC-APWZRJJASA-N 2 0 362.518 0.955 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638140317 492917885 /nfs/dbraw/zinc/91/78/85/492917885.db2.gz YSVYVNLSYKSTKD-UHFFFAOYSA-N 2 0 365.566 0.546 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000652390434 492922156 /nfs/dbraw/zinc/92/21/56/492922156.db2.gz PKIKXKUOKSAVCN-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@H]4OCC[NH2+][C@H]4C3)cc21 ZINC000638228141 492923811 /nfs/dbraw/zinc/92/38/11/492923811.db2.gz UVMFVKRUSUPXHQ-DOTOQJQBSA-N 2 0 373.457 0.506 20 0 FCADRP C[NH+](C)CCN(C1CCCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632097457 492927610 /nfs/dbraw/zinc/92/76/10/492927610.db2.gz RIXHLIXKVDGGGE-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652443551 492933930 /nfs/dbraw/zinc/93/39/30/492933930.db2.gz CWUPQHRPQQWDJQ-UHFFFAOYSA-N 2 0 367.538 0.027 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCCO1 ZINC000638346516 492938020 /nfs/dbraw/zinc/93/80/20/492938020.db2.gz XXAJBIOZGXWFLD-GOSISDBHSA-N 2 0 360.502 0.946 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C2)CC1 ZINC000632144557 492938907 /nfs/dbraw/zinc/93/89/07/492938907.db2.gz GLXRXNLZGPEXMQ-GOSISDBHSA-N 2 0 372.579 0.617 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626221472 492948164 /nfs/dbraw/zinc/94/81/64/492948164.db2.gz YTLIFVOFDQCBME-KRWDZBQOSA-N 2 0 361.490 0.935 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000638556521 492960402 /nfs/dbraw/zinc/96/04/02/492960402.db2.gz LZFHZMMGMJNAOS-QWHCGFSZSA-N 2 0 359.396 0.948 20 0 FCADRP COc1ccncc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652627093 492972569 /nfs/dbraw/zinc/97/25/69/492972569.db2.gz RDSHNBQEKJZNCW-HEHGZKQESA-N 2 0 362.430 0.774 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632332116 492974657 /nfs/dbraw/zinc/97/46/57/492974657.db2.gz WXCYBALUJORDFF-SJORKVTESA-N 2 0 358.552 0.512 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632332087 492974864 /nfs/dbraw/zinc/97/48/64/492974864.db2.gz WXCYBALUJORDFF-IRXDYDNUSA-N 2 0 358.552 0.512 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)C1=O ZINC000638855989 492982652 /nfs/dbraw/zinc/98/26/52/492982652.db2.gz KCLKDVKQURBICS-IRXDYDNUSA-N 2 0 362.449 0.679 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652668359 492983064 /nfs/dbraw/zinc/98/30/64/492983064.db2.gz YJBYJXWAQJQDSM-MWDXBVQZSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000652670132 492983798 /nfs/dbraw/zinc/98/37/98/492983798.db2.gz HVYOERAWWZKPCC-INIZCTEOSA-N 2 0 354.495 0.047 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684574 492989917 /nfs/dbraw/zinc/98/99/17/492989917.db2.gz ROWUBUHKKYARPG-NXOAAHMSSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)(C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)S(=O)(=O)C1CC1 ZINC000638986084 492990165 /nfs/dbraw/zinc/99/01/65/492990165.db2.gz UJFSKKIRQGJWFT-UHFFFAOYSA-N 2 0 352.460 0.786 20 0 FCADRP O=C(CNC(=O)Cc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986809 492990203 /nfs/dbraw/zinc/99/02/03/492990203.db2.gz CJSMKAUGMYPTGS-UHFFFAOYSA-N 2 0 353.426 0.789 20 0 FCADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009503 493000106 /nfs/dbraw/zinc/00/01/06/493000106.db2.gz OHGLTCDEEXPWRH-OALUTQOASA-N 2 0 360.502 0.989 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009496 493000504 /nfs/dbraw/zinc/00/05/04/493000504.db2.gz NOAQXBIUCOLYGA-MSOLQXFVSA-N 2 0 352.523 0.807 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000639163369 493001142 /nfs/dbraw/zinc/00/11/42/493001142.db2.gz XGTMAJWKWAEODS-GOEBONIOSA-N 2 0 361.552 0.919 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000652724407 493004113 /nfs/dbraw/zinc/00/41/13/493004113.db2.gz AMBMXXDFNBBOGO-WMZOPIPTSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000652724918 493004422 /nfs/dbraw/zinc/00/44/22/493004422.db2.gz QMSTWQNIZHZMFL-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CS(=O)(=O)N1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639440919 493009632 /nfs/dbraw/zinc/00/96/32/493009632.db2.gz RQTNYKWNTDVYJR-GOSISDBHSA-N 2 0 367.515 0.591 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000652737498 493014208 /nfs/dbraw/zinc/01/42/08/493014208.db2.gz LXSIOIZSEMABLH-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000626895739 493055264 /nfs/dbraw/zinc/05/52/64/493055264.db2.gz NDYXIAYKDWYKPD-UHFFFAOYSA-N 2 0 362.474 0.697 20 0 FCADRP [NH3+]Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000626900169 493057248 /nfs/dbraw/zinc/05/72/48/493057248.db2.gz YXDBOOVHRMCPDD-CYBMUJFWSA-N 2 0 374.363 0.285 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653122680 493074890 /nfs/dbraw/zinc/07/48/90/493074890.db2.gz AVDYRPQFUKNLGH-PXNSSMCTSA-N 2 0 359.470 0.496 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124639 493075200 /nfs/dbraw/zinc/07/52/00/493075200.db2.gz CMRDKKMFDVWETI-GUDVDZBRSA-N 2 0 364.534 0.770 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653125093 493076550 /nfs/dbraw/zinc/07/65/50/493076550.db2.gz SLZJPCVCFGIJHX-IBGZPJMESA-N 2 0 361.534 0.719 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000627092301 493087332 /nfs/dbraw/zinc/08/73/32/493087332.db2.gz SWNQSVKTGNSBKU-YRGRVCCFSA-N 2 0 352.401 0.924 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272003 493087751 /nfs/dbraw/zinc/08/77/51/493087751.db2.gz UXRTYPGZTNIKGU-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627188539 493104321 /nfs/dbraw/zinc/10/43/21/493104321.db2.gz VXBCEVOUUAZWIY-INIZCTEOSA-N 2 0 350.463 0.757 20 0 FCADRP O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633026663 493105028 /nfs/dbraw/zinc/10/50/28/493105028.db2.gz HQHGQMMTLYMAJN-GJZGRUSLSA-N 2 0 360.483 0.747 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000653371316 493105417 /nfs/dbraw/zinc/10/54/17/493105417.db2.gz HDFOHHMGZDWEJL-UHFFFAOYSA-N 2 0 367.538 0.075 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000633030595 493105894 /nfs/dbraw/zinc/10/58/94/493105894.db2.gz VIDYNFSAOJOLJH-WMZOPIPTSA-N 2 0 371.485 0.728 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000633038443 493108828 /nfs/dbraw/zinc/10/88/28/493108828.db2.gz ONBZQOWVLQQKLB-HOCLYGCPSA-N 2 0 359.474 0.321 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627227996 493110832 /nfs/dbraw/zinc/11/08/32/493110832.db2.gz ASDCRBATQASLIF-SJORKVTESA-N 2 0 361.494 0.972 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000627233196 493113010 /nfs/dbraw/zinc/11/30/10/493113010.db2.gz OPDVLURFRRRAMZ-IJEWVQPXSA-N 2 0 365.482 0.063 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259096 493121200 /nfs/dbraw/zinc/12/12/00/493121200.db2.gz MZCGTTNWSHNCGR-DLBZAZTESA-N 2 0 351.491 0.689 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633090339 493121762 /nfs/dbraw/zinc/12/17/62/493121762.db2.gz VYGLCQPNIMNVDH-BZSNNMDCSA-N 2 0 356.470 0.540 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104665 493128261 /nfs/dbraw/zinc/12/82/61/493128261.db2.gz HCSJRYLXBFIQBB-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627292318 493136447 /nfs/dbraw/zinc/13/64/47/493136447.db2.gz RLHUAJYGSGQWJI-IRXDYDNUSA-N 2 0 362.474 0.290 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627292048 493136519 /nfs/dbraw/zinc/13/65/19/493136519.db2.gz KNTNLVDCXXTTSX-ZIAGYGMSSA-N 2 0 366.487 0.106 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291944 493137057 /nfs/dbraw/zinc/13/70/57/493137057.db2.gz ISFGKGDGSGFBLN-ROUUACIJSA-N 2 0 358.486 0.834 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000627293290 493137582 /nfs/dbraw/zinc/13/75/82/493137582.db2.gz POEJAXQQRFJIEM-KRWDZBQOSA-N 2 0 362.474 0.756 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627293455 493137904 /nfs/dbraw/zinc/13/79/04/493137904.db2.gz UHYKBAPSEHCULD-DGCLKSJQSA-N 2 0 364.412 0.573 20 0 FCADRP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297116 493139287 /nfs/dbraw/zinc/13/92/87/493139287.db2.gz BRBVJCICURWENZ-GJZGRUSLSA-N 2 0 354.495 0.189 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646989818 493141864 /nfs/dbraw/zinc/14/18/64/493141864.db2.gz PTHPBIDOOSVBEM-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627309973 493145085 /nfs/dbraw/zinc/14/50/85/493145085.db2.gz FFANIAPTJNDJAN-KRWDZBQOSA-N 2 0 360.458 0.003 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627314380 493147673 /nfs/dbraw/zinc/14/76/73/493147673.db2.gz AWXNRFBVUQNQMX-QGZVFWFLSA-N 2 0 368.522 0.448 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647058539 493154913 /nfs/dbraw/zinc/15/49/13/493154913.db2.gz PSNWYLTVAVIENI-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000659112018 493159146 /nfs/dbraw/zinc/15/91/46/493159146.db2.gz NZSUZXFCPUKCIC-ZDUSSCGKSA-N 2 0 350.488 0.898 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006178 493161899 /nfs/dbraw/zinc/16/18/99/493161899.db2.gz XQWPWHPCEOSUSA-DOTOQJQBSA-N 2 0 372.473 0.705 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC000627351597 493170381 /nfs/dbraw/zinc/17/03/81/493170381.db2.gz XIIYVMSACJIIFH-CABCVRRESA-N 2 0 368.503 0.352 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659442990 493178357 /nfs/dbraw/zinc/17/83/57/493178357.db2.gz UQRJLMDUBOIQHI-LBPRGKRZSA-N 2 0 350.467 0.951 20 0 FCADRP CN(CCC[NH3+])Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641228452 493186248 /nfs/dbraw/zinc/18/62/48/493186248.db2.gz AEQGIMRAEBLVFR-LJQANCHMSA-N 2 0 358.490 0.696 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627386942 493195017 /nfs/dbraw/zinc/19/50/17/493195017.db2.gz ASMXBAPDXLNQLP-YJBOKZPZSA-N 2 0 374.485 0.433 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627389802 493197174 /nfs/dbraw/zinc/19/71/74/493197174.db2.gz QNQFFYGHWVBWCD-NWDGAFQWSA-N 2 0 352.401 0.430 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627392653 493200012 /nfs/dbraw/zinc/20/00/12/493200012.db2.gz BCJYJSAJGJJKSJ-STQMWFEESA-N 2 0 366.428 0.820 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)n1 ZINC000659554242 493211106 /nfs/dbraw/zinc/21/11/06/493211106.db2.gz GAIMFRMOTUPYDT-UHFFFAOYSA-N 2 0 360.462 0.594 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659576818 493215853 /nfs/dbraw/zinc/21/58/53/493215853.db2.gz LVZKOFHFWFHVSL-IPMKNSEASA-N 2 0 357.502 0.821 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659646042 493228821 /nfs/dbraw/zinc/22/88/21/493228821.db2.gz KXFZFQMNYJBPJS-CQSZACIVSA-N 2 0 355.527 0.720 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000672700073 493236443 /nfs/dbraw/zinc/23/64/43/493236443.db2.gz YMYHOKLWABXOTK-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000641443781 493237696 /nfs/dbraw/zinc/23/76/96/493237696.db2.gz WDPDETFAKIZGDO-IAGOWNOFSA-N 2 0 360.506 0.972 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000659674472 493244886 /nfs/dbraw/zinc/24/48/86/493244886.db2.gz SXTPXTNCVYXYFG-TZMCWYRMSA-N 2 0 366.462 0.147 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)CCO2 ZINC000666979366 493245503 /nfs/dbraw/zinc/24/55/03/493245503.db2.gz VDMHSCIMYZNKQK-QGZVFWFLSA-N 2 0 366.506 0.746 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659678219 493247698 /nfs/dbraw/zinc/24/76/98/493247698.db2.gz VQDIBHGKIDGMBY-PMPSAXMXSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(CCO)C(C)(C)C2)c1 ZINC000667014731 493248912 /nfs/dbraw/zinc/24/89/12/493248912.db2.gz RBDDPZSTGUEMFW-UHFFFAOYSA-N 2 0 362.474 0.650 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000659685619 493252443 /nfs/dbraw/zinc/25/24/43/493252443.db2.gz UGZCSBWUKNJXHG-BZUAXINKSA-N 2 0 356.486 0.901 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000659687754 493253637 /nfs/dbraw/zinc/25/36/37/493253637.db2.gz ZYQHOKLGNOGLPJ-UONOGXRCSA-N 2 0 352.504 0.800 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000667084320 493257531 /nfs/dbraw/zinc/25/75/31/493257531.db2.gz LPOZXOZNKKQZCO-UHFFFAOYSA-N 2 0 363.462 0.570 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000659694341 493257664 /nfs/dbraw/zinc/25/76/64/493257664.db2.gz OBAVLWLHLXINSL-HPFXQQBRSA-N 2 0 360.502 0.983 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[N@@H+]1C1CC1 ZINC000659694532 493258126 /nfs/dbraw/zinc/25/81/26/493258126.db2.gz VJDKZRHVEVDHFD-HYVNUMGLSA-N 2 0 362.518 0.966 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672876532 493260830 /nfs/dbraw/zinc/26/08/30/493260830.db2.gz IRIFAPUTJJXPQB-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704418 493263107 /nfs/dbraw/zinc/26/31/07/493263107.db2.gz OUFLVQTZNNLDEB-QGZVFWFLSA-N 2 0 368.522 0.309 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709418 493266069 /nfs/dbraw/zinc/26/60/69/493266069.db2.gz ILMMBXIUKQVLSE-GOSISDBHSA-N 2 0 358.486 0.630 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659709648 493266890 /nfs/dbraw/zinc/26/68/90/493266890.db2.gz GYHPTHYXZLAANP-UHFFFAOYSA-N 2 0 361.490 0.526 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000659709999 493266991 /nfs/dbraw/zinc/26/69/91/493266991.db2.gz NWIXKCIOHIDDID-HNNXBMFYSA-N 2 0 352.479 0.134 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659711872 493267647 /nfs/dbraw/zinc/26/76/47/493267647.db2.gz CZDCHRNPFCQFLH-MRXNPFEDSA-N 2 0 373.501 0.526 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659714457 493268456 /nfs/dbraw/zinc/26/84/56/493268456.db2.gz VSYMIHBHAYEKPR-UHFFFAOYSA-N 2 0 359.474 0.278 20 0 FCADRP CC1(C)CN(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC[N@@H+]1CCO ZINC000672951384 493269417 /nfs/dbraw/zinc/26/94/17/493269417.db2.gz FGJSXLFYENLJNB-DLBZAZTESA-N 2 0 368.522 0.728 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720159 493271075 /nfs/dbraw/zinc/27/10/75/493271075.db2.gz ATBIKCQPYIJKGR-YJBOKZPZSA-N 2 0 373.501 0.667 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000641658852 493271359 /nfs/dbraw/zinc/27/13/59/493271359.db2.gz XVHPXTGISASYPW-AWEZNQCLSA-N 2 0 363.428 0.560 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659722453 493272499 /nfs/dbraw/zinc/27/24/99/493272499.db2.gz FKILEUMLWPBSMG-GOEBONIOSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659722455 493272532 /nfs/dbraw/zinc/27/25/32/493272532.db2.gz FKILEUMLWPBSMG-HOCLYGCPSA-N 2 0 352.479 0.004 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659726905 493274711 /nfs/dbraw/zinc/27/47/11/493274711.db2.gz COMKPAWNYREGOK-GOSISDBHSA-N 2 0 373.501 0.620 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659728505 493275327 /nfs/dbraw/zinc/27/53/27/493275327.db2.gz JSVHEIFWGUNURH-QAPCUYQASA-N 2 0 373.501 0.606 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1cccc(F)c1 ZINC000659732307 493277388 /nfs/dbraw/zinc/27/73/88/493277388.db2.gz LXHJTHLSIAUAJS-OAHLLOKOSA-N 2 0 350.438 0.932 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659735873 493278532 /nfs/dbraw/zinc/27/85/32/493278532.db2.gz KIWPKNLHLOMDJF-BZUAXINKSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000682222382 493280039 /nfs/dbraw/zinc/28/00/39/493280039.db2.gz SJIAKRQQVQDGKM-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000659752829 493286597 /nfs/dbraw/zinc/28/65/97/493286597.db2.gz NYUIRBVTTZMJGN-LBPRGKRZSA-N 2 0 356.417 0.579 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000659754702 493286649 /nfs/dbraw/zinc/28/66/49/493286649.db2.gz GMMHRATVTYQUEF-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000659753593 493286705 /nfs/dbraw/zinc/28/67/05/493286705.db2.gz QPXILDCLGUGAOF-LBPRGKRZSA-N 2 0 356.417 0.579 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673120040 493292456 /nfs/dbraw/zinc/29/24/56/493292456.db2.gz XZFYBWHFBWWYOC-ZBFHGGJFSA-N 2 0 362.478 0.468 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2ncc(C)cn2n1 ZINC000667812289 493303066 /nfs/dbraw/zinc/30/30/66/493303066.db2.gz IUHWCSLBIVMPDY-HNNXBMFYSA-N 2 0 359.478 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812648 493303333 /nfs/dbraw/zinc/30/33/33/493303333.db2.gz SIYYEHATPXBHSD-HUUCEWRRSA-N 2 0 362.540 0.189 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000673275054 493309599 /nfs/dbraw/zinc/30/95/99/493309599.db2.gz FIDLLDZFSXTSPY-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCSC1 ZINC000673982348 493379570 /nfs/dbraw/zinc/37/95/70/493379570.db2.gz LKKCIROKZZOBHF-UXLLHSPISA-N 2 0 356.536 0.664 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[C@H](NC(=O)C3([NH+](C)C)CC3)C2)CC1 ZINC000668590843 493381662 /nfs/dbraw/zinc/38/16/62/493381662.db2.gz KAZRYPYNOZXVHR-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000674329487 493408726 /nfs/dbraw/zinc/40/87/26/493408726.db2.gz CORVLUXGHBYTJL-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000668789359 493411320 /nfs/dbraw/zinc/41/13/20/493411320.db2.gz UKZQQEPQBFQXGR-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668934577 493440146 /nfs/dbraw/zinc/44/01/46/493440146.db2.gz PHSLLGGLJNJBDL-NVXWUHKLSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143833 493467984 /nfs/dbraw/zinc/46/79/84/493467984.db2.gz FGHIDPDWJOZGBX-GDBMZVCRSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685304955 493473914 /nfs/dbraw/zinc/47/39/14/493473914.db2.gz RXNNOCHTDFQFKO-KYJSFNMBSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685501069 493498199 /nfs/dbraw/zinc/49/81/99/493498199.db2.gz AYGKDOQPHWYHBU-SFHVURJKSA-N 2 0 371.485 0.863 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662261751 493500899 /nfs/dbraw/zinc/50/08/99/493500899.db2.gz NLWQQGJEXAPRLU-QGZVFWFLSA-N 2 0 350.507 0.384 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294462 493504690 /nfs/dbraw/zinc/50/46/90/493504690.db2.gz WITZTXSGBGEKBA-YJBOKZPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299003 493504887 /nfs/dbraw/zinc/50/48/87/493504887.db2.gz ZDKNVTWVZUVYDO-YOEHRIQHSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486472 493506346 /nfs/dbraw/zinc/50/63/46/493506346.db2.gz NETGBMNTFOXNJM-SJLPKXTDSA-N 2 0 353.511 0.082 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000669486291 493506369 /nfs/dbraw/zinc/50/63/69/493506369.db2.gz SXALZXAHDGFCPU-QAETUUGQSA-N 2 0 356.511 0.881 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486429 493506861 /nfs/dbraw/zinc/50/68/61/493506861.db2.gz FATWCZZYJAXVGG-YESZJQIVSA-N 2 0 353.511 0.210 20 0 FCADRP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N1CCOCC1 ZINC000662327236 493506949 /nfs/dbraw/zinc/50/69/49/493506949.db2.gz GYRDDLHDRIMEIJ-UHFFFAOYSA-N 2 0 361.490 0.915 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491437 493507606 /nfs/dbraw/zinc/50/76/06/493507606.db2.gz ZDKBKDBBOHKIIQ-KBPBESRZSA-N 2 0 363.428 0.606 20 0 FCADRP C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000669490712 493507733 /nfs/dbraw/zinc/50/77/33/493507733.db2.gz WIQRRTBMJKPJQI-GXTWGEPZSA-N 2 0 365.444 0.852 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000669529896 493508802 /nfs/dbraw/zinc/50/88/02/493508802.db2.gz ICEVRWZIUILBCE-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000669529898 493508858 /nfs/dbraw/zinc/50/88/58/493508858.db2.gz ICEVRWZIUILBCE-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000662365315 493509626 /nfs/dbraw/zinc/50/96/26/493509626.db2.gz RPPXLFCQHJGLLL-HNNXBMFYSA-N 2 0 369.473 0.563 20 0 FCADRP CNS(=O)(=O)NC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000685845845 493519850 /nfs/dbraw/zinc/51/98/50/493519850.db2.gz OCKDUCJNNXKWRE-UHFFFAOYSA-N 2 0 370.519 0.645 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)cc2)[nH]1 ZINC000662556610 493525827 /nfs/dbraw/zinc/52/58/27/493525827.db2.gz BMVNRWDUWSBUNR-NSHDSACASA-N 2 0 352.402 0.983 20 0 FCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577359 493526586 /nfs/dbraw/zinc/52/65/86/493526586.db2.gz HKQJSJBLYUOWCK-XIRDDKMYSA-N 2 0 365.522 0.744 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668654 493530649 /nfs/dbraw/zinc/53/06/49/493530649.db2.gz OOZVKUFXIATVOC-HOTGVXAUSA-N 2 0 364.494 0.679 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704663 493533184 /nfs/dbraw/zinc/53/31/84/493533184.db2.gz JOAPTDCTAOVTAH-SMDDNHRTSA-N 2 0 350.385 0.232 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662751982 493537783 /nfs/dbraw/zinc/53/77/83/493537783.db2.gz NNCDKEUSUIQRQQ-LSDHHAIUSA-N 2 0 354.495 0.093 20 0 FCADRP C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CN(C)CCO1 ZINC000676303493 493543163 /nfs/dbraw/zinc/54/31/63/493543163.db2.gz CUIOIYFWQOSQTJ-SJLPKXTDSA-N 2 0 368.522 0.849 20 0 FCADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832499 493545360 /nfs/dbraw/zinc/54/53/60/493545360.db2.gz HKYDLYIMYACWBT-CVEARBPZSA-N 2 0 362.478 0.357 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662930889 493555942 /nfs/dbraw/zinc/55/59/42/493555942.db2.gz YOQFJUCQYYCQNB-KRWDZBQOSA-N 2 0 368.522 0.261 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)CC1 ZINC000662943351 493558165 /nfs/dbraw/zinc/55/81/65/493558165.db2.gz SHIBGKZQCWRJJB-UHFFFAOYSA-N 2 0 367.538 0.199 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662951082 493559793 /nfs/dbraw/zinc/55/97/93/493559793.db2.gz HYERNXVLSGPFEV-RTBURBONSA-N 2 0 372.513 0.830 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000662953906 493560726 /nfs/dbraw/zinc/56/07/26/493560726.db2.gz RAIUXNGWEPHVMZ-ZIFCJYIRSA-N 2 0 372.513 0.971 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000662966014 493562084 /nfs/dbraw/zinc/56/20/84/493562084.db2.gz DZOGDXGSYPOKMY-SFHVURJKSA-N 2 0 358.486 0.712 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662972220 493562454 /nfs/dbraw/zinc/56/24/54/493562454.db2.gz ASZWIUULARTFMJ-KRWDZBQOSA-N 2 0 360.502 0.958 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000662984130 493563768 /nfs/dbraw/zinc/56/37/68/493563768.db2.gz OBMVGHLXAIRTKF-IKGGRYGDSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432433 493566288 /nfs/dbraw/zinc/56/62/88/493566288.db2.gz NQKGTJLNFWHLOA-NXOAAHMSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020027 493567181 /nfs/dbraw/zinc/56/71/81/493567181.db2.gz VNAPXKLOMRJVSU-JYJNAYRXSA-N 2 0 360.506 0.913 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000670670593 493586478 /nfs/dbraw/zinc/58/64/78/493586478.db2.gz HCDRBCNJCICJIN-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000677153506 493587189 /nfs/dbraw/zinc/58/71/89/493587189.db2.gz RJSSGPSHIKQJOT-HUUCEWRRSA-N 2 0 363.510 0.941 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000670709364 493589268 /nfs/dbraw/zinc/58/92/68/493589268.db2.gz OTKDYOHWUTXAEA-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000677237422 493592851 /nfs/dbraw/zinc/59/28/51/493592851.db2.gz GWRPFXBJYMBXAF-IRXDYDNUSA-N 2 0 358.490 0.732 20 0 FCADRP Cc1c(C(=O)N2CC([NH+](C)C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000677943050 493626073 /nfs/dbraw/zinc/62/60/73/493626073.db2.gz ZDNJFGIJSNEIJL-UHFFFAOYSA-N 2 0 354.458 0.950 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000663994596 493629533 /nfs/dbraw/zinc/62/95/33/493629533.db2.gz OLMCBCZSHWMMLL-ROUUACIJSA-N 2 0 364.490 0.486 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071934 493629874 /nfs/dbraw/zinc/62/98/74/493629874.db2.gz WGMBEOVHZJVMMI-YJBOKZPZSA-N 2 0 368.547 0.627 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664066072 493634171 /nfs/dbraw/zinc/63/41/71/493634171.db2.gz QYADGDIJTYUILP-DLBZAZTESA-N 2 0 354.495 0.338 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664219540 493645330 /nfs/dbraw/zinc/64/53/30/493645330.db2.gz NHCBGFDLZRLGRX-KRWDZBQOSA-N 2 0 356.511 0.851 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000679369669 493676579 /nfs/dbraw/zinc/67/65/79/493676579.db2.gz XMTSAFPEJHFUSZ-XJKSGUPXSA-N 2 0 354.414 0.758 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCCO1 ZINC000664758928 493681813 /nfs/dbraw/zinc/68/18/13/493681813.db2.gz QQOYPXXMAZIZLU-MRXNPFEDSA-N 2 0 371.526 0.149 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000671815792 493706950 /nfs/dbraw/zinc/70/69/50/493706950.db2.gz FUITYWSEJRQACI-RKVPGOIHSA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880935 493710820 /nfs/dbraw/zinc/71/08/20/493710820.db2.gz YFPKZIKIWZLHMX-SJORKVTESA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556078 493723233 /nfs/dbraw/zinc/72/32/33/493723233.db2.gz QJKXWOMSLANYDO-CVEARBPZSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672007672 493723687 /nfs/dbraw/zinc/72/36/87/493723687.db2.gz LAONWRUIWMCPPV-UAGQMJEPSA-N 2 0 350.507 0.918 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000672166177 493740298 /nfs/dbraw/zinc/74/02/98/493740298.db2.gz YEQWTBCOXGPDGL-KRWDZBQOSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304044 493752217 /nfs/dbraw/zinc/75/22/17/493752217.db2.gz FXTGUIHMWUGUQB-IRXDYDNUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308752 493753453 /nfs/dbraw/zinc/75/34/53/493753453.db2.gz BFTBGIVAKXDPHL-UXLLHSPISA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310088 493754199 /nfs/dbraw/zinc/75/41/99/493754199.db2.gz GKBJMKITNJELDD-CVEARBPZSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000410812504 527828448 /nfs/dbraw/zinc/82/84/48/527828448.db2.gz XWGGWVPUNUONJC-IRXDYDNUSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000193292241 528014059 /nfs/dbraw/zinc/01/40/59/528014059.db2.gz GXYPQSYNBFRECC-SFHVURJKSA-N 2 0 369.554 0.668 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410503884 528122814 /nfs/dbraw/zinc/12/28/14/528122814.db2.gz PHRYBKBLMBWMOT-INIZCTEOSA-N 2 0 356.511 0.356 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000411768900 528995196 /nfs/dbraw/zinc/99/51/96/528995196.db2.gz JICXKZWLBQGUBR-OALUTQOASA-N 2 0 353.507 0.885 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031261 529075366 /nfs/dbraw/zinc/07/53/66/529075366.db2.gz SLFXIRNNIXEDIX-QFBILLFUSA-N 2 0 350.507 0.872 20 0 FCADRP CC1(C)NC(=O)N(CCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000420390303 534977888 /nfs/dbraw/zinc/97/78/88/534977888.db2.gz ZHYVZAKOIIHIOJ-LSDHHAIUSA-N 2 0 352.479 0.925 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)N1CC[NH+](C)CC1 ZINC000419129261 534993043 /nfs/dbraw/zinc/99/30/43/534993043.db2.gz XXMWIFSUIJDCDG-IRXDYDNUSA-N 2 0 369.554 0.206 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423504199 535063279 /nfs/dbraw/zinc/06/32/79/535063279.db2.gz KSTZSRAWCVCIMV-DLBZAZTESA-N 2 0 368.522 0.530 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424541167 535068868 /nfs/dbraw/zinc/06/88/68/535068868.db2.gz HFXASBXLATYESB-RCCFBDPRSA-N 2 0 358.486 0.819 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419698583 535072095 /nfs/dbraw/zinc/07/20/95/535072095.db2.gz PVONFDVJTRUNSV-XHSDSOJGSA-N 2 0 368.522 0.842 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419698216 535072375 /nfs/dbraw/zinc/07/23/75/535072375.db2.gz PFDUKKFCVNXJBV-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419692521 535073193 /nfs/dbraw/zinc/07/31/93/535073193.db2.gz GZRBATIZOLCJSK-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000419158928 535082913 /nfs/dbraw/zinc/08/29/13/535082913.db2.gz WUHRBYVRCSAYBM-BZUAXINKSA-N 2 0 368.522 0.700 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419385977 535087705 /nfs/dbraw/zinc/08/77/05/535087705.db2.gz DABJZSZESFBVDI-QGZVFWFLSA-N 2 0 374.485 0.044 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419390310 535087805 /nfs/dbraw/zinc/08/78/05/535087805.db2.gz IOLNNFHRGHIUFN-KRWDZBQOSA-N 2 0 358.486 0.793 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423664148 535187780 /nfs/dbraw/zinc/18/77/80/535187780.db2.gz OURWXMSCYFXBOV-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@H]1CC[NH2+]C1 ZINC000423665798 535189116 /nfs/dbraw/zinc/18/91/16/535189116.db2.gz RDGDLTTZSNCSFJ-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CCCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000419375762 535189928 /nfs/dbraw/zinc/18/99/28/535189928.db2.gz QVNLFRYJVWGSBR-GOSISDBHSA-N 2 0 372.513 0.802 20 0 FCADRP CCCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000419375763 535190300 /nfs/dbraw/zinc/19/03/00/535190300.db2.gz QVNLFRYJVWGSBR-SFHVURJKSA-N 2 0 372.513 0.802 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415338703 535204995 /nfs/dbraw/zinc/20/49/95/535204995.db2.gz ZQQNRHKHAWZCMX-MRXNPFEDSA-N 2 0 359.474 0.634 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423474917 535523999 /nfs/dbraw/zinc/52/39/99/535523999.db2.gz PHBNDFYHIXNJOZ-ZDUSSCGKSA-N 2 0 366.428 0.916 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424163089 535525149 /nfs/dbraw/zinc/52/51/49/535525149.db2.gz XIQAZNDWGRCBCD-OAHLLOKOSA-N 2 0 352.483 0.633 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420147824 535544531 /nfs/dbraw/zinc/54/45/31/535544531.db2.gz SWMVLVPBWIPCKC-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419346794 535556453 /nfs/dbraw/zinc/55/64/53/535556453.db2.gz VWUONSAFCDYXOW-UHFFFAOYSA-N 2 0 362.474 0.455 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397204 535651830 /nfs/dbraw/zinc/65/18/30/535651830.db2.gz UKBJGVGVCVTLQQ-QZTJIDSGSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)Cc1ccccc1 ZINC000419371980 535668964 /nfs/dbraw/zinc/66/89/64/535668964.db2.gz LWCLUCFJDLJDLU-WMZOPIPTSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Cc1ccccc1 ZINC000419371968 535669361 /nfs/dbraw/zinc/66/93/61/535669361.db2.gz LUXNYLLUCCQTHY-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])CC(C)C ZINC000419128218 535669556 /nfs/dbraw/zinc/66/95/56/535669556.db2.gz VOLOYEVIKIAXGO-YESZJQIVSA-N 2 0 370.538 0.824 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375852 535717658 /nfs/dbraw/zinc/71/76/58/535717658.db2.gz FDPOTWDFRUNNOV-NHAYFPRASA-N 2 0 366.550 0.909 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000415340751 535751007 /nfs/dbraw/zinc/75/10/07/535751007.db2.gz NMOMZXJULBDMEK-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423203714 535862042 /nfs/dbraw/zinc/86/20/42/535862042.db2.gz NAMRMSJUJLBWTI-INIZCTEOSA-N 2 0 350.438 0.666 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419855586 535863288 /nfs/dbraw/zinc/86/32/88/535863288.db2.gz DCVXBDVCVMLYIP-MRXNPFEDSA-N 2 0 350.438 0.569 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423366090 535865764 /nfs/dbraw/zinc/86/57/64/535865764.db2.gz LFYRZQAOHDYJSP-OAHLLOKOSA-N 2 0 350.463 0.757 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423368785 535866220 /nfs/dbraw/zinc/86/62/20/535866220.db2.gz NNZDOQLCYWSEPJ-UAGQMJEPSA-N 2 0 362.474 0.756 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453739754 535894262 /nfs/dbraw/zinc/89/42/62/535894262.db2.gz GKMSKMGHRAAVPK-KRWDZBQOSA-N 2 0 362.474 0.868 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000419705992 535927144 /nfs/dbraw/zinc/92/71/44/535927144.db2.gz BWPSJNVRYBXZGB-SFHVURJKSA-N 2 0 360.502 0.994 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580021 536140956 /nfs/dbraw/zinc/14/09/56/536140956.db2.gz HWNQVGFWIRQLJR-YOEHRIQHSA-N 2 0 356.536 0.564 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586176 536141038 /nfs/dbraw/zinc/14/10/38/536141038.db2.gz NXELNYQTAWUWAP-GUYCJALGSA-N 2 0 356.536 0.434 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000423442296 536354835 /nfs/dbraw/zinc/35/48/35/536354835.db2.gz BNRXWFYNZKTVOF-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000423455943 536367471 /nfs/dbraw/zinc/36/74/71/536367471.db2.gz GFRMCATXYZHVKP-FUHWJXTLSA-N 2 0 358.486 0.930 20 0 FCADRP CN1CCN(c2ncc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000441361325 536427097 /nfs/dbraw/zinc/42/70/97/536427097.db2.gz YYXVHVGTDLQFGQ-UHFFFAOYSA-N 2 0 361.538 0.344 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419766198 536481147 /nfs/dbraw/zinc/48/11/47/536481147.db2.gz RGRZJBPBCCVLCV-QYZOEREBSA-N 2 0 370.497 0.834 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419761529 536481168 /nfs/dbraw/zinc/48/11/68/536481168.db2.gz KJKAWXRSXVXVMU-ROUUACIJSA-N 2 0 358.486 0.963 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424164230 536546806 /nfs/dbraw/zinc/54/68/06/536546806.db2.gz YTNDASICWKHMIX-HNNXBMFYSA-N 2 0 350.467 0.433 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000419745402 536747256 /nfs/dbraw/zinc/74/72/56/536747256.db2.gz ACJASLYWYKBLPM-KBPBESRZSA-N 2 0 354.495 0.188 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419754535 536747330 /nfs/dbraw/zinc/74/73/30/536747330.db2.gz PAGIYSUMAKHJSW-KBPBESRZSA-N 2 0 354.495 0.201 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419749534 536747486 /nfs/dbraw/zinc/74/74/86/536747486.db2.gz HHIGZWTYCKFAMF-HOCLYGCPSA-N 2 0 368.522 0.720 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419673292 536780343 /nfs/dbraw/zinc/78/03/43/536780343.db2.gz HCWMZGWOPPXOAU-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000423585730 537114321 /nfs/dbraw/zinc/11/43/21/537114321.db2.gz AGIXCKQXDFBMKI-CQSZACIVSA-N 2 0 361.446 0.079 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000080064527 546569176 /nfs/dbraw/zinc/56/91/76/546569176.db2.gz ZLCHZLKXIVPMTM-IYBDPMFKSA-N 2 0 356.511 0.896 20 0 FCADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999580 546682188 /nfs/dbraw/zinc/68/21/88/546682188.db2.gz BFOTYTRVOYQTQA-ZNMIVQPWSA-N 2 0 351.447 0.197 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736190 546747171 /nfs/dbraw/zinc/74/71/71/546747171.db2.gz JHSIHOBPGKMTAI-ZQDZILKHSA-N 2 0 356.467 0.065 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736187 546747291 /nfs/dbraw/zinc/74/72/91/546747291.db2.gz JHSIHOBPGKMTAI-AJNGGQMLSA-N 2 0 356.467 0.065 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418504878 546907171 /nfs/dbraw/zinc/90/71/71/546907171.db2.gz CQSXTXFAHHJGHT-UHFFFAOYSA-N 2 0 356.511 0.756 20 0 FCADRP CC(C)OCCN1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401115 546922529 /nfs/dbraw/zinc/92/25/29/546922529.db2.gz WJYHPXNQMMNXNY-HNNXBMFYSA-N 2 0 350.467 0.385 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715688 546928411 /nfs/dbraw/zinc/92/84/11/546928411.db2.gz JXMPXUTUCIJIRF-IRXDYDNUSA-N 2 0 356.511 0.633 20 0 FCADRP CC1(C)[C@H](NCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000641803583 546960392 /nfs/dbraw/zinc/96/03/92/546960392.db2.gz TXYALXZDFJKESZ-JKSUJKDBSA-N 2 0 352.523 0.853 20 0 FCADRP CC1(C)[C@H]([NH3+])C[C@H]1NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000641803582 546960503 /nfs/dbraw/zinc/96/05/03/546960503.db2.gz TXYALXZDFJKESZ-HZPDHXFCSA-N 2 0 352.523 0.853 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000550456261 547087321 /nfs/dbraw/zinc/08/73/21/547087321.db2.gz CFNHHPZISLFYTC-HOCLYGCPSA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000550456260 547087399 /nfs/dbraw/zinc/08/73/99/547087399.db2.gz CFNHHPZISLFYTC-GOEBONIOSA-N 2 0 354.495 0.058 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550644332 547093237 /nfs/dbraw/zinc/09/32/37/547093237.db2.gz QZDYXFGIRMFZAP-RDTXWAMCSA-N 2 0 366.531 0.937 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000550687424 547097900 /nfs/dbraw/zinc/09/79/00/547097900.db2.gz FXELZYDFMDGPKA-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550835463 547109753 /nfs/dbraw/zinc/10/97/53/547109753.db2.gz MTFHUAXVCUDEKF-KDOFPFPSSA-N 2 0 370.563 0.729 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000550840957 547110774 /nfs/dbraw/zinc/11/07/74/547110774.db2.gz XXBKAQOWWKWLKW-RVKKMQEKSA-N 2 0 370.563 0.871 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839288 547111321 /nfs/dbraw/zinc/11/13/21/547111321.db2.gz XFRWVAXCZVULBA-YJBOKZPZSA-N 2 0 368.547 0.627 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000550957729 547117254 /nfs/dbraw/zinc/11/72/54/547117254.db2.gz NJVKSNUCUUMNPC-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000551329218 547142256 /nfs/dbraw/zinc/14/22/56/547142256.db2.gz MYRDLUQUZAVJMM-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000552359176 547204051 /nfs/dbraw/zinc/20/40/51/547204051.db2.gz OIBXIOOWISOTPR-OAGGEKHMSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000552359175 547204325 /nfs/dbraw/zinc/20/43/25/547204325.db2.gz OIBXIOOWISOTPR-BZUAXINKSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC000949211238 674397519 /nfs/dbraw/zinc/39/75/19/674397519.db2.gz RRVZVNNSPFDHME-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000949947157 674416740 /nfs/dbraw/zinc/41/67/40/674416740.db2.gz GWKYYKORQCQJIQ-KLHDSHLOSA-N 2 0 350.507 0.774 20 0 FCADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736771022 598520248 /nfs/dbraw/zinc/52/02/48/598520248.db2.gz GVYZGLKTXDBLQD-OAHLLOKOSA-N 2 0 367.461 0.956 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000736767809 598701501 /nfs/dbraw/zinc/70/15/01/598701501.db2.gz SJODAIUQXCTZLI-UHFFFAOYSA-N 2 0 361.450 0.197 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000954412167 674496711 /nfs/dbraw/zinc/49/67/11/674496711.db2.gz DNEOJWAUMVKBOQ-JKSUJKDBSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000957014310 674533549 /nfs/dbraw/zinc/53/35/49/674533549.db2.gz WZXHWRKGTQOIDW-IDHHARJASA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480525 606860313 /nfs/dbraw/zinc/86/03/13/606860313.db2.gz LMLSGKKUSQXCML-RDTXWAMCSA-N 2 0 374.489 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000958169472 674560120 /nfs/dbraw/zinc/56/01/20/674560120.db2.gz QNDRURUQODFKOV-IXDOHACOSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000989995867 665836117 /nfs/dbraw/zinc/83/61/17/665836117.db2.gz AUOONYHRIDSDET-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924662153 665860174 /nfs/dbraw/zinc/86/01/74/665860174.db2.gz PUPCSPPHXQWYNB-INIZCTEOSA-N 2 0 360.568 0.664 20 0 FCADRP C[NH+](C)CCNC(=S)NCC(C)(C)CNC(=S)NCC[NH+](C)C ZINC000047582370 663332760 /nfs/dbraw/zinc/33/27/60/663332760.db2.gz LFPIKWVKSQOLAP-UHFFFAOYSA-N 2 0 362.613 0.064 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891445355 663397438 /nfs/dbraw/zinc/39/74/38/663397438.db2.gz LASSNHFUMJQIAX-YJNKXOJESA-N 2 0 353.467 0.293 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022109565 663405818 /nfs/dbraw/zinc/40/58/18/663405818.db2.gz OVQINIXRLQCCAX-RBGFHDKUSA-N 2 0 357.520 0.388 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495570 663409831 /nfs/dbraw/zinc/40/98/31/663409831.db2.gz ZVNCDOVXYOTSJU-YJNKXOJESA-N 2 0 353.467 0.293 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891563452 663415807 /nfs/dbraw/zinc/41/58/07/663415807.db2.gz GYTVHWLSDBRNSR-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP COCCC1(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC000891579907 663416896 /nfs/dbraw/zinc/41/68/96/663416896.db2.gz OHTDRGBPGUEUPR-UHFFFAOYSA-N 2 0 355.527 0.472 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCSC1 ZINC000891639873 663421361 /nfs/dbraw/zinc/42/13/61/663421361.db2.gz UYOHRVMSPXBITR-WMLDXEAASA-N 2 0 356.536 0.882 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891999597 663465511 /nfs/dbraw/zinc/46/55/11/663465511.db2.gz MGCSZVDFTWWWTF-IAGOWNOFSA-N 2 0 353.511 0.082 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892089006 663474857 /nfs/dbraw/zinc/47/48/57/663474857.db2.gz NYDDZCXDKPVFRR-BRWVUGGUSA-N 2 0 353.511 0.352 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097360 663475722 /nfs/dbraw/zinc/47/57/22/663475722.db2.gz NHHKEEWWONNZPZ-ZACQAIPSSA-N 2 0 353.511 0.223 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000892648552 664059266 /nfs/dbraw/zinc/05/92/66/664059266.db2.gz FGIOPKNXHMUATN-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892754956 664137912 /nfs/dbraw/zinc/13/79/12/664137912.db2.gz CQPDTWOBXHZGHI-MRXNPFEDSA-N 2 0 354.495 0.685 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C2 ZINC000892878961 664152383 /nfs/dbraw/zinc/15/23/83/664152383.db2.gz HZRLIKPCEDEHJU-GFCCVEGCSA-N 2 0 353.492 0.516 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@H]32)O1 ZINC001025818492 664195408 /nfs/dbraw/zinc/19/54/08/664195408.db2.gz XMTWWYWSUUTZDJ-OBRKIGFESA-N 2 0 351.491 0.711 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CCC1 ZINC001025818429 664195470 /nfs/dbraw/zinc/19/54/70/664195470.db2.gz QGHAOMSYLSQZSK-YYOXGBMASA-N 2 0 351.491 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000979885440 664465381 /nfs/dbraw/zinc/46/53/81/664465381.db2.gz OOSPDEDXHJQQLE-LUKYLMHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981649685 664834533 /nfs/dbraw/zinc/83/45/33/664834533.db2.gz LGIYICOYBRNGGS-UAGQMJEPSA-N 2 0 350.507 0.824 20 0 FCADRP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC[N@H+](CC2CC2)CC1 ZINC000981664151 664834732 /nfs/dbraw/zinc/83/47/32/664834732.db2.gz YSCCYYCPSOESFY-MSOLQXFVSA-N 2 0 351.491 0.811 20 0 FCADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925823331 664844017 /nfs/dbraw/zinc/84/40/17/664844017.db2.gz QZHAAMCMOCOQCJ-GVDBMIGSSA-N 2 0 359.536 0.937 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000894374920 664962874 /nfs/dbraw/zinc/96/28/74/664962874.db2.gz GVUBELVJJNTBSP-UHFFFAOYSA-N 2 0 360.568 0.854 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCCO2)O1 ZINC001029357676 665019071 /nfs/dbraw/zinc/01/90/71/665019071.db2.gz PEZUXKBOHMSVHY-UYTYNIKBSA-N 2 0 351.491 0.950 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCC(=O)NC(C)C ZINC000727277299 665030330 /nfs/dbraw/zinc/03/03/30/665030330.db2.gz KSHAGIVWKHKDPG-OAHLLOKOSA-N 2 0 357.568 0.733 20 0 FCADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000925217067 665187794 /nfs/dbraw/zinc/18/77/94/665187794.db2.gz WDXSDAILGAHDEU-HNNXBMFYSA-N 2 0 360.568 0.662 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)[NH+](C)C ZINC000986320522 665209243 /nfs/dbraw/zinc/20/92/43/665209243.db2.gz HDOMVJPJMJTIJB-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988106780 665276633 /nfs/dbraw/zinc/27/66/33/665276633.db2.gz IWKLJUJZVVQABZ-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC000988333627 665285362 /nfs/dbraw/zinc/28/53/62/665285362.db2.gz TVZMUBLKDQUZEQ-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353753 666018135 /nfs/dbraw/zinc/01/81/35/666018135.db2.gz JKZHKZNTLFLUMJ-SJLPKXTDSA-N 2 0 351.447 0.320 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000907202862 666106495 /nfs/dbraw/zinc/10/64/95/666106495.db2.gz KZTYIFLKBJXXNR-QGZVFWFLSA-N 2 0 353.507 0.794 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000908186921 666191843 /nfs/dbraw/zinc/19/18/43/666191843.db2.gz YLVMIRUOTJRCSV-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908541129 666211251 /nfs/dbraw/zinc/21/12/51/666211251.db2.gz QGCXPYJMFFDBDW-ADKAHSJRSA-N 2 0 353.507 0.840 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911033689 666307198 /nfs/dbraw/zinc/30/71/98/666307198.db2.gz JQUXVUIOVAPLPB-OWCLPIDISA-N 2 0 354.495 0.189 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000911529248 666362157 /nfs/dbraw/zinc/36/21/57/666362157.db2.gz BGBONDXHOYUUPC-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000912587908 666459316 /nfs/dbraw/zinc/45/93/16/666459316.db2.gz HFXUZVBPTHXHHO-UHFFFAOYSA-N 2 0 354.539 0.613 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000939125500 666502796 /nfs/dbraw/zinc/50/27/96/666502796.db2.gz JJIPOUMVNPWAFM-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000939329518 666512156 /nfs/dbraw/zinc/51/21/56/666512156.db2.gz DOURGSVMLGUEKR-DRRXZNNHSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000939336026 666512543 /nfs/dbraw/zinc/51/25/43/666512543.db2.gz GOTHHAGTWBKUEH-LTIDMASMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884932 666530722 /nfs/dbraw/zinc/53/07/22/666530722.db2.gz VNHAQRJJUMNYQJ-KBRIMQKVSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000940770386 666560980 /nfs/dbraw/zinc/56/09/80/666560980.db2.gz PRCBNAMVPMTUCY-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995150145 666630691 /nfs/dbraw/zinc/63/06/91/666630691.db2.gz BAMZKMJVRBTHJX-OIISXLGYSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000913677512 666641258 /nfs/dbraw/zinc/64/12/58/666641258.db2.gz SKHUDYZNRCNHCW-UHFFFAOYSA-N 2 0 354.539 0.708 20 0 FCADRP C[NH+]1CCC(NC(=S)NNC2=[NH+]CC3=CNN(C(C)(C)C)C3=N2)CC1 ZINC000731947807 666849789 /nfs/dbraw/zinc/84/97/89/666849789.db2.gz MBDLWRMUDRVCRS-UHFFFAOYSA-N 2 0 364.523 0.320 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827256 666891555 /nfs/dbraw/zinc/89/15/55/666891555.db2.gz TZBVBOZFBXXMIM-ARFHVFGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995830799 666892279 /nfs/dbraw/zinc/89/22/79/666892279.db2.gz IPTKHJQMXFDBDA-KFWWJZLASA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC000996608526 666944658 /nfs/dbraw/zinc/94/46/58/666944658.db2.gz SREMQEUNDHSQOF-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000996604552 666945451 /nfs/dbraw/zinc/94/54/51/666945451.db2.gz UOCOVSNUEWVTAH-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ncnn3CCF)CC2)CC[N@@H+]1C ZINC000996610373 666947068 /nfs/dbraw/zinc/94/70/68/666947068.db2.gz ZWEFBTABYXJTDF-UKRRQHHQSA-N 2 0 352.458 0.668 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)[NH+](C)C ZINC000994217586 666979344 /nfs/dbraw/zinc/97/93/44/666979344.db2.gz OWYHBHJHVZLWPT-OIISXLGYSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224709 667065189 /nfs/dbraw/zinc/06/51/89/667065189.db2.gz SRMYHDLISKNARC-WBVHZDCISA-N 2 0 353.511 0.175 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444022 667089213 /nfs/dbraw/zinc/08/92/13/667089213.db2.gz AYMFCLGLOLATQL-JKSUJKDBSA-N 2 0 350.463 0.646 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997597392 667166299 /nfs/dbraw/zinc/16/62/99/667166299.db2.gz VDZNVJKOIDSLPG-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](CN1CCOCC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000919510570 667182641 /nfs/dbraw/zinc/18/26/41/667182641.db2.gz UZEYAIUWCCLLJG-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000998790742 667221751 /nfs/dbraw/zinc/22/17/51/667221751.db2.gz DMMDFASGMPHTQN-SSHXOBKSSA-N 2 0 351.495 0.321 20 0 FCADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2)[NH+](C)C ZINC000999150260 667228722 /nfs/dbraw/zinc/22/87/22/667228722.db2.gz LZTMZPKDBLIVEZ-HMDCTGQHSA-N 2 0 350.507 0.915 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001002239908 667525868 /nfs/dbraw/zinc/52/58/68/667525868.db2.gz TWDRMEFHGIHNNV-NVXWUHKLSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC001002263160 667527615 /nfs/dbraw/zinc/52/76/15/667527615.db2.gz JCVNVJARGMZDNM-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033289112 667727545 /nfs/dbraw/zinc/72/75/45/667727545.db2.gz GTGIIZXOWNWRQB-ZACQAIPSSA-N 2 0 357.470 0.759 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001005408487 667740093 /nfs/dbraw/zinc/74/00/93/667740093.db2.gz ZSCKJKZUPHHJFG-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP COCc1noc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034940003 667772579 /nfs/dbraw/zinc/77/25/79/667772579.db2.gz RELYZSFDQVTSJW-MGPQQGTHSA-N 2 0 351.451 0.637 20 0 FCADRP O=C(CN1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCOCC1 ZINC000923316839 667824116 /nfs/dbraw/zinc/82/41/16/667824116.db2.gz APFDICGWVCEPIL-AYHJJNSGSA-N 2 0 350.507 0.384 20 0 FCADRP CN(CCOc1ccc(Br)cc1)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923353660 667827506 /nfs/dbraw/zinc/82/75/06/667827506.db2.gz ZQFWNSJFTIJKOI-UHFFFAOYSA-N 2 0 359.268 0.162 20 0 FCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378446 667829346 /nfs/dbraw/zinc/82/93/46/667829346.db2.gz CKIXSMWVFRDNOY-GVDBMIGSSA-N 2 0 354.495 0.383 20 0 FCADRP C[C@@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763298271 667948955 /nfs/dbraw/zinc/94/89/55/667948955.db2.gz CEQSDDAVJBPIEC-NVXWUHKLSA-N 2 0 353.580 0.913 20 0 FCADRP C[C@@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763298273 667949033 /nfs/dbraw/zinc/94/90/33/667949033.db2.gz CEQSDDAVJBPIEC-WBVHZDCISA-N 2 0 353.580 0.913 20 0 FCADRP CN(C1CCOCC1)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000739937339 667970710 /nfs/dbraw/zinc/97/07/10/667970710.db2.gz WMKPRCZUJVCPQR-UHFFFAOYSA-N 2 0 364.556 0.547 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000764500896 667985367 /nfs/dbraw/zinc/98/53/67/667985367.db2.gz ASJHCROHMNHUEL-HOTGVXAUSA-N 2 0 367.563 0.584 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000818782852 668945673 /nfs/dbraw/zinc/94/56/73/668945673.db2.gz TUFDKICZGHCKGX-HHARLNAUSA-N 2 0 352.479 0.137 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064830 669360819 /nfs/dbraw/zinc/36/08/19/669360819.db2.gz YVCNIWXTPVGSIR-RRFJBIMHSA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC000829891858 669731061 /nfs/dbraw/zinc/73/10/61/669731061.db2.gz VHUGSNIEUIPRET-FPAYPSAMSA-N 2 0 353.507 0.693 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817936280 670049288 /nfs/dbraw/zinc/04/92/88/670049288.db2.gz RIFORRSSGHGREC-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000818341211 670097791 /nfs/dbraw/zinc/09/77/91/670097791.db2.gz WYLDQHVFMNEWSB-HNNXBMFYSA-N 2 0 352.479 0.751 20 0 FCADRP O=C1C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1CCCO ZINC000840737523 670517608 /nfs/dbraw/zinc/51/76/08/670517608.db2.gz DNOCUDUEHMIECV-MRXNPFEDSA-N 2 0 353.463 0.073 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842050204 670630451 /nfs/dbraw/zinc/63/04/51/670630451.db2.gz PZRLSIYRVVUSRY-OLMMMNRUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088168 670632781 /nfs/dbraw/zinc/63/27/81/670632781.db2.gz KPFMXPYLKIBHLP-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000843355115 670804880 /nfs/dbraw/zinc/80/48/80/670804880.db2.gz BVOPZGPGTHHQGF-UHFFFAOYSA-N 2 0 356.467 0.117 20 0 FCADRP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354997 670805130 /nfs/dbraw/zinc/80/51/30/670805130.db2.gz IFQMGKLGYIQYRU-UHFFFAOYSA-N 2 0 370.475 0.483 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843364223 670808405 /nfs/dbraw/zinc/80/84/05/670808405.db2.gz SXQNRDMSZQPQRK-UHFFFAOYSA-N 2 0 366.487 0.738 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000843388942 670811941 /nfs/dbraw/zinc/81/19/41/670811941.db2.gz YUAFYJQDBWLEHK-CVEARBPZSA-N 2 0 352.479 0.609 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829863 675899495 /nfs/dbraw/zinc/89/94/95/675899495.db2.gz AHGAHKURZOABJK-UHDSXZAQSA-N 2 0 350.507 0.584 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903091076 675913258 /nfs/dbraw/zinc/91/32/58/675913258.db2.gz MTZCTEJRIDCHJZ-ZXFUBFMLSA-N 2 0 356.536 0.311 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000853347849 671546704 /nfs/dbraw/zinc/54/67/04/671546704.db2.gz RSUVFKQMRQTFDK-JKSUJKDBSA-N 2 0 355.527 0.768 20 0 FCADRP C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511478 675935954 /nfs/dbraw/zinc/93/59/54/675935954.db2.gz VFFOVGIQILTARJ-NRSFXHEJSA-N 2 0 350.507 0.571 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC000903524908 675938345 /nfs/dbraw/zinc/93/83/45/675938345.db2.gz DQNBUTGAQPSZLA-WBMJQRKESA-N 2 0 365.865 0.910 20 0 FCADRP CCCS(=O)(=O)NC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723033 675964037 /nfs/dbraw/zinc/96/40/37/675964037.db2.gz SFZQMRXUEYODEF-MRXNPFEDSA-N 2 0 359.536 0.939 20 0 FCADRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000863555416 672139072 /nfs/dbraw/zinc/13/90/72/672139072.db2.gz RNIMXPBSTNDKPK-UHFFFAOYSA-N 2 0 350.463 0.759 20 0 FCADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865412243 672242269 /nfs/dbraw/zinc/24/22/69/672242269.db2.gz LIQYGRGMTCRJEQ-SFHVURJKSA-N 2 0 350.511 0.964 20 0 FCADRP C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055609609 676027063 /nfs/dbraw/zinc/02/70/63/676027063.db2.gz MOGXMNKVQIVQIH-MUIFIZLQSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC001056674691 676048600 /nfs/dbraw/zinc/04/86/00/676048600.db2.gz BCCMWRCQHPDTLW-YYIAUSFCSA-N 2 0 350.507 0.728 20 0 FCADRP COC[C@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C[NH2+]CCO1 ZINC000876709574 672974050 /nfs/dbraw/zinc/97/40/50/672974050.db2.gz VCFKRYRBKSKSFB-WMZOPIPTSA-N 2 0 351.447 0.419 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878230449 673048898 /nfs/dbraw/zinc/04/88/98/673048898.db2.gz LZGSFMRQJMETQW-QGZVFWFLSA-N 2 0 353.507 0.962 20 0 FCADRP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCO1 ZINC001051620655 676106076 /nfs/dbraw/zinc/10/60/76/676106076.db2.gz UFQIONJUZLCJFM-KSZLIROESA-N 2 0 353.507 0.959 20 0 FCADRP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)sn1 ZINC001051624927 676107227 /nfs/dbraw/zinc/10/72/27/676107227.db2.gz VZAZOKHNLDUTIF-VNHYZAJKSA-N 2 0 368.503 0.809 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883439364 673375522 /nfs/dbraw/zinc/37/55/22/673375522.db2.gz PTZDIZUQNXLVOL-FXUDXRNXSA-N 2 0 351.447 0.582 20 0 FCADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001006347765 673399306 /nfs/dbraw/zinc/39/93/06/673399306.db2.gz YLCZPEHIPZLYSB-CKEIUWERSA-N 2 0 350.507 0.632 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884491227 673456999 /nfs/dbraw/zinc/45/69/99/673456999.db2.gz PUXLJRUJHSFXPU-XQHKEYJVSA-N 2 0 364.412 0.571 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000884502792 673457632 /nfs/dbraw/zinc/45/76/32/673457632.db2.gz TWNBGAOFQPYZRD-NXOAAHMSSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCC1 ZINC000884529727 673460072 /nfs/dbraw/zinc/46/00/72/673460072.db2.gz VCZLDZKSVNDIFV-GHMZBOCLSA-N 2 0 350.385 0.183 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884577805 673463569 /nfs/dbraw/zinc/46/35/69/673463569.db2.gz MNXZTTJWUSOUPJ-VVLHAWIVSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)[NH2+]C1 ZINC000884598098 673464744 /nfs/dbraw/zinc/46/47/44/673464744.db2.gz SPHCEILKLNBOIT-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603571 673464981 /nfs/dbraw/zinc/46/49/81/673464981.db2.gz MEQNUDBBZQLIMF-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601472 673465013 /nfs/dbraw/zinc/46/50/13/673465013.db2.gz MDDVBABEAOLVFZ-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000884626435 673467231 /nfs/dbraw/zinc/46/72/31/673467231.db2.gz LJUQRWUMLJJFKQ-DOXZYTNZSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000884626436 673467252 /nfs/dbraw/zinc/46/72/52/673467252.db2.gz LJUQRWUMLJJFKQ-KHYOSLBOSA-N 2 0 350.507 0.953 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643115 673469328 /nfs/dbraw/zinc/46/93/28/673469328.db2.gz XOFLUVRQKSAIRP-KSSFIOAISA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCCC1 ZINC000884669260 673470998 /nfs/dbraw/zinc/47/09/98/673470998.db2.gz QNTLGRJVKKIRET-ZDUSSCGKSA-N 2 0 360.449 0.728 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000884670322 673471160 /nfs/dbraw/zinc/47/11/60/673471160.db2.gz WGQKKYUXSWUVSW-FDYHWXHSSA-N 2 0 362.396 0.325 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000884669609 673471224 /nfs/dbraw/zinc/47/12/24/673471224.db2.gz AUKULSSVOWGUME-DOXZYTNZSA-N 2 0 350.507 0.953 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000884680994 673472051 /nfs/dbraw/zinc/47/20/51/673472051.db2.gz IZRLPXYSOUCDOO-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000884682905 673472490 /nfs/dbraw/zinc/47/24/90/673472490.db2.gz ODXODRNVZWFMBQ-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000884711311 673475895 /nfs/dbraw/zinc/47/58/95/673475895.db2.gz KUBLBHDAXVSQIF-GOSISDBHSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884954334 673493204 /nfs/dbraw/zinc/49/32/04/673493204.db2.gz CMLLYQBMVBXXBZ-HZPDHXFCSA-N 2 0 369.535 0.967 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884971439 673494621 /nfs/dbraw/zinc/49/46/21/673494621.db2.gz BFVHYAPQIURSDJ-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000884973703 673494713 /nfs/dbraw/zinc/49/47/13/673494713.db2.gz CTUQEFBYXJLDFA-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884975724 673494948 /nfs/dbraw/zinc/49/49/48/673494948.db2.gz GPQZIEWBNBRSRG-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000884976705 673495192 /nfs/dbraw/zinc/49/51/92/673495192.db2.gz XUUUVFGWESRBDV-GOEBONIOSA-N 2 0 354.495 0.188 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885010523 673497624 /nfs/dbraw/zinc/49/76/24/673497624.db2.gz QGTQQRQKPRXWNK-WCXIOVBPSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000885275618 673511044 /nfs/dbraw/zinc/51/10/44/673511044.db2.gz GMTMYLCINRYKKK-KGLIPLIRSA-N 2 0 358.433 0.434 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000885275425 673511074 /nfs/dbraw/zinc/51/10/74/673511074.db2.gz FCSHOMGZZQYXIA-KGLIPLIRSA-N 2 0 358.433 0.434 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885284542 673511943 /nfs/dbraw/zinc/51/19/43/673511943.db2.gz AYZSQMZBLZCPFU-MJBXVCDLSA-N 2 0 358.433 0.433 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285210 673511981 /nfs/dbraw/zinc/51/19/81/673511981.db2.gz NAKOTYUBSSRAAS-CQSZACIVSA-N 2 0 360.449 0.538 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000885285389 673512261 /nfs/dbraw/zinc/51/22/61/673512261.db2.gz KVYBCWCBTMPOSN-KGLIPLIRSA-N 2 0 358.433 0.434 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000885889212 673553409 /nfs/dbraw/zinc/55/34/09/673553409.db2.gz YYJDDDBYSXTWGF-GOSISDBHSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000886837162 673601628 /nfs/dbraw/zinc/60/16/28/673601628.db2.gz BYLMCNBTNZCOLE-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000887064585 673617749 /nfs/dbraw/zinc/61/77/49/673617749.db2.gz KLQAGWGSKUDICF-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@H]1CC[NH2+]C1 ZINC000887068084 673618521 /nfs/dbraw/zinc/61/85/21/673618521.db2.gz FJLWEBXTCBMWTE-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000887068848 673618851 /nfs/dbraw/zinc/61/88/51/673618851.db2.gz SJHMLWBKAGHGPB-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887080706 673620790 /nfs/dbraw/zinc/62/07/90/673620790.db2.gz DDSDPBHGQQLTOO-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[N@H+](CCN(C)C)CCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887422976 673630532 /nfs/dbraw/zinc/63/05/32/673630532.db2.gz FZTCECSAHDOWHJ-QGZVFWFLSA-N 2 0 351.543 0.721 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1N=NC(=O)N1C ZINC000889582952 673680482 /nfs/dbraw/zinc/68/04/82/673680482.db2.gz VETDNGZIRHVKTP-CYBMUJFWSA-N 2 0 353.471 0.078 20 0 FCADRP CCN1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000925961055 673806614 /nfs/dbraw/zinc/80/66/14/673806614.db2.gz TXTWSONQGUBUSQ-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927636186 673872940 /nfs/dbraw/zinc/87/29/40/673872940.db2.gz KQOVSFRWPADDHB-BFYDXBDKSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001007375584 675288520 /nfs/dbraw/zinc/28/85/20/675288520.db2.gz FDCCPIDLZIFVDG-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011209804 675376812 /nfs/dbraw/zinc/37/68/12/675376812.db2.gz RMTNFRWOECTARD-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020172108 675436487 /nfs/dbraw/zinc/43/64/87/675436487.db2.gz MIGRPHKACDKYEG-YIDVYQOGSA-N 2 0 357.520 0.388 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438689 675681694 /nfs/dbraw/zinc/68/16/94/675681694.db2.gz CFLMSNKRMIKITL-HIEASXQVSA-N 2 0 351.491 0.857 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000900443393 675682716 /nfs/dbraw/zinc/68/27/16/675682716.db2.gz WNLHZVOEALPXTJ-ROUUACIJSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000900693539 675707999 /nfs/dbraw/zinc/70/79/99/675707999.db2.gz WIUDCEQLWPRRPA-SFHVURJKSA-N 2 0 353.555 0.402 20 0 FCADRP C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900802433 675717427 /nfs/dbraw/zinc/71/74/27/675717427.db2.gz FJEWKEJCHMBRQU-BFWZDYSYSA-N 2 0 352.523 0.628 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000900936105 675732921 /nfs/dbraw/zinc/73/29/21/675732921.db2.gz HURGAPWAAOXLPE-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001048606513 675866737 /nfs/dbraw/zinc/86/67/37/675866737.db2.gz QICLPCZYQUWEAH-HHARLNAUSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000897493940 1192206953 /nfs/dbraw/zinc/20/69/53/1192206953.db2.gz JYCZIALPZZOPEV-SJORKVTESA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000969123832 1167733738 /nfs/dbraw/zinc/73/37/38/1167733738.db2.gz ZDPQKHAXHSHXAK-HSFUPAIVSA-N 2 0 362.518 0.870 20 0 FCADRP COc1coc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC000969699522 1168062783 /nfs/dbraw/zinc/06/27/83/1168062783.db2.gz KTFHDMDUQOIJOG-WOSRLPQWSA-N 2 0 363.458 0.925 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000897517532 1192288792 /nfs/dbraw/zinc/28/87/92/1192288792.db2.gz AXBHMGVYSUUWNI-MRXNPFEDSA-N 2 0 365.522 0.986 20 0 FCADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001167092530 1168161699 /nfs/dbraw/zinc/16/16/99/1168161699.db2.gz HEQCDUQBXVDHMV-MSOLQXFVSA-N 2 0 356.474 0.756 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104265174 1168848252 /nfs/dbraw/zinc/84/82/52/1168848252.db2.gz WILNQPZCUMZNKV-OAGGEKHMSA-N 2 0 363.510 0.659 20 0 FCADRP CO[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001212036013 1192340989 /nfs/dbraw/zinc/34/09/89/1192340989.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 0 368.522 0.541 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)CCC1 ZINC001021490622 1169468582 /nfs/dbraw/zinc/46/85/82/1169468582.db2.gz OHGOBESAHLCPEW-LSDHHAIUSA-N 2 0 359.474 0.886 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001021635724 1169856198 /nfs/dbraw/zinc/85/61/98/1169856198.db2.gz DXKYDMMFFDMVMM-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001021708916 1169907685 /nfs/dbraw/zinc/90/76/85/1169907685.db2.gz MBBGOJCHUCYOPD-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000891345748 1169984557 /nfs/dbraw/zinc/98/45/57/1169984557.db2.gz YGNRHAUSHLOWGL-CALCHBBNSA-N 2 0 358.490 0.869 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cn2)CC1 ZINC000891345014 1169985086 /nfs/dbraw/zinc/98/50/86/1169985086.db2.gz QVKDOSLVRMUQCN-FXAWDEMLSA-N 2 0 372.517 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001021941013 1170329142 /nfs/dbraw/zinc/32/91/42/1170329142.db2.gz DNJJLGNJWNPWSC-CYGHRXIMSA-N 2 0 362.518 0.870 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]21)C1CCC1 ZINC001021941947 1170330392 /nfs/dbraw/zinc/33/03/92/1170330392.db2.gz WMNBNTHLTNRUPM-XYJFISCASA-N 2 0 362.518 0.872 20 0 FCADRP Cc1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)c(OCC[NH+](C)C)c1 ZINC000581476306 1170363711 /nfs/dbraw/zinc/36/37/11/1170363711.db2.gz ZWBROEDYLOAUMZ-UHFFFAOYSA-N 2 0 363.462 0.489 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104362667 1170483154 /nfs/dbraw/zinc/48/31/54/1170483154.db2.gz CDONNDAYNSLPRK-HZPDHXFCSA-N 2 0 367.538 0.816 20 0 FCADRP COCCC1(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[NH2+]CC1 ZINC000891695279 1170819563 /nfs/dbraw/zinc/81/95/63/1170819563.db2.gz XEKZUCDLSOBSNW-IAGOWNOFSA-N 2 0 368.522 0.822 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001691251395 1170890781 /nfs/dbraw/zinc/89/07/81/1170890781.db2.gz WKOOEIAUCLSLLT-XHSDSOJGSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001691263551 1170986588 /nfs/dbraw/zinc/98/65/88/1170986588.db2.gz WEPNFZWFFAWVBQ-YESZJQIVSA-N 2 0 367.538 0.910 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001691272378 1171009025 /nfs/dbraw/zinc/00/90/25/1171009025.db2.gz UQAKXRCQVATGCJ-LZWOXQAQSA-N 2 0 367.494 0.176 20 0 FCADRP C[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001691355842 1171193119 /nfs/dbraw/zinc/19/31/19/1171193119.db2.gz BHSZGLOQXCIUOS-PMPSAXMXSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001691358732 1171203857 /nfs/dbraw/zinc/20/38/57/1171203857.db2.gz SBBOLKQZLFZMMV-NFAWXSAZSA-N 2 0 367.494 0.271 20 0 FCADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000891971084 1171361834 /nfs/dbraw/zinc/36/18/34/1171361834.db2.gz QSEOSXCBHPPBHQ-RDJZCZTQSA-N 2 0 365.522 0.747 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001022524122 1171362852 /nfs/dbraw/zinc/36/28/52/1171362852.db2.gz MOVUKUYRGSFWAW-HRCADAONSA-N 2 0 359.474 0.884 20 0 FCADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC[N@H+](C)CCO)cccc21 ZINC000892214056 1171754349 /nfs/dbraw/zinc/75/43/49/1171754349.db2.gz MXHSLUICUZHMOY-HNNXBMFYSA-N 2 0 364.446 0.051 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972144882 1171800142 /nfs/dbraw/zinc/80/01/42/1171800142.db2.gz UXDIZZZWCLIMRK-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723329 1171819385 /nfs/dbraw/zinc/81/93/85/1171819385.db2.gz QLPUWVFTJGWBFT-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022747003 1171855895 /nfs/dbraw/zinc/85/58/95/1171855895.db2.gz WFKQSMPVOCMJHG-WKULXVSPSA-N 2 0 356.470 0.457 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC000972245518 1171881777 /nfs/dbraw/zinc/88/17/77/1171881777.db2.gz FAUSZDGNBWWHCI-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249665 1172026721 /nfs/dbraw/zinc/02/67/21/1172026721.db2.gz QSAGHOSSWMTJTM-YESZJQIVSA-N 2 0 363.502 0.809 20 0 FCADRP NC(=[NH2+])Nc1ccc(C(=O)N2CC3(C2)C[NH+](CCn2ccnc2)C3)cc1 ZINC001272135201 1192574161 /nfs/dbraw/zinc/57/41/61/1192574161.db2.gz UYUDILCBLHQEGQ-UHFFFAOYSA-N 2 0 353.430 0.646 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000989066394 1192670502 /nfs/dbraw/zinc/67/05/02/1192670502.db2.gz GLJGAVBJTXUYRA-FMKPAKJESA-N 2 0 359.474 0.819 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573124 1192889165 /nfs/dbraw/zinc/88/91/65/1192889165.db2.gz KACNMYQAXRRYBR-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087236706 1179070324 /nfs/dbraw/zinc/07/03/24/1179070324.db2.gz ICRDTUMDISUWGA-QLFBSQMISA-N 2 0 362.474 0.104 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)ccc2c[nH+]cn21 ZINC001023216968 1179233679 /nfs/dbraw/zinc/23/36/79/1179233679.db2.gz RAKNBLJNEPKGRX-IXDOHACOSA-N 2 0 371.441 0.038 20 0 FCADRP CN1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@H+](C)CC1 ZINC000888991244 1179262017 /nfs/dbraw/zinc/26/20/17/1179262017.db2.gz USGSADRNXYUOJK-UHFFFAOYSA-N 2 0 374.533 0.300 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211603810 1179745670 /nfs/dbraw/zinc/74/56/70/1179745670.db2.gz TTYYGDSINBMFGK-NRSFXHEJSA-N 2 0 358.486 0.657 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)[NH2+]C1 ZINC000892379200 1180006495 /nfs/dbraw/zinc/00/64/95/1180006495.db2.gz YDSWUZUWVQVXCJ-YJNKXOJESA-N 2 0 365.478 0.341 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211620189 1180086578 /nfs/dbraw/zinc/08/65/78/1180086578.db2.gz IMIVWEBFOINRJZ-SCTDSRPQSA-N 2 0 360.502 0.903 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001211623720 1180216659 /nfs/dbraw/zinc/21/66/59/1180216659.db2.gz PWSZFQVTMBBEBO-IPMKNSEASA-N 2 0 363.502 0.920 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211623808 1180219178 /nfs/dbraw/zinc/21/91/78/1180219178.db2.gz UHJHEPKXCFZRKD-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001691479733 1180484571 /nfs/dbraw/zinc/48/45/71/1180484571.db2.gz FGZFSOMDVVSPPM-LSDHHAIUSA-N 2 0 364.490 0.589 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112519213 1180852149 /nfs/dbraw/zinc/85/21/49/1180852149.db2.gz ZLMJJYKBLBSZOJ-DOXZYTNZSA-N 2 0 364.490 0.352 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892430550 1180871237 /nfs/dbraw/zinc/87/12/37/1180871237.db2.gz KVMPJDSTJQIRCL-KZNAEPCWSA-N 2 0 367.538 0.600 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000892435811 1180904444 /nfs/dbraw/zinc/90/44/44/1180904444.db2.gz GJCOBYCSYKILEQ-LUKYLMHMSA-N 2 0 365.522 0.794 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000892456231 1181052307 /nfs/dbraw/zinc/05/23/07/1181052307.db2.gz WXHHFLXBIMGWEI-QCTRZYONSA-N 2 0 363.506 0.642 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892486581 1181328083 /nfs/dbraw/zinc/32/80/83/1181328083.db2.gz QPUXRNKDCDKSNT-BARDWOONSA-N 2 0 365.478 0.341 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000892500702 1181366668 /nfs/dbraw/zinc/36/66/68/1181366668.db2.gz DDGFYMLGUANRLL-QGZVFWFLSA-N 2 0 367.538 0.993 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892610818 1181928059 /nfs/dbraw/zinc/92/80/59/1181928059.db2.gz FSGAJDMDXABJSW-SFHVURJKSA-N 2 0 364.490 0.813 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892648676 1182003642 /nfs/dbraw/zinc/00/36/42/1182003642.db2.gz LMPRFQAOSONYID-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000892650814 1182004321 /nfs/dbraw/zinc/00/43/21/1182004321.db2.gz QZBWYAUQXIGXDX-BBWFWOEESA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC[N@@H+]1C ZINC000973331593 1182232086 /nfs/dbraw/zinc/23/20/86/1182232086.db2.gz XHMGPEPPQVMSMY-VUVWGQCBSA-N 2 0 359.474 0.627 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641196 1182326001 /nfs/dbraw/zinc/32/60/01/1182326001.db2.gz FEYRLOSNSASCFI-IIAWOOMASA-N 2 0 369.510 0.102 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104676671 1182359485 /nfs/dbraw/zinc/35/94/85/1182359485.db2.gz SXDZLKUVYQVZND-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP CC(C)OCCN1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892773255 1182495686 /nfs/dbraw/zinc/49/56/86/1182495686.db2.gz BXSFQIBKDBOTFF-QGZVFWFLSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2CN(CCn3cccn3)C[C@@H]21 ZINC001083284184 1182517932 /nfs/dbraw/zinc/51/79/32/1182517932.db2.gz VPXGNSPRSYTKRC-ZWKOTPCHSA-N 2 0 361.490 0.671 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063294 1182877609 /nfs/dbraw/zinc/87/76/09/1182877609.db2.gz DUZXIVSYJSKEFD-NYLIBXOJSA-N 2 0 368.481 0.267 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001104908396 1182990563 /nfs/dbraw/zinc/99/05/63/1182990563.db2.gz VIBZCBCHNQTKLQ-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001104908160 1182991191 /nfs/dbraw/zinc/99/11/91/1182991191.db2.gz LZFVRZWYVZPJFV-BZUAXINKSA-N 2 0 366.510 0.529 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104914204 1182993921 /nfs/dbraw/zinc/99/39/21/1182993921.db2.gz ZVCALKMLCKNLOH-NVXWUHKLSA-N 2 0 362.518 0.683 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007982 1183065006 /nfs/dbraw/zinc/06/50/06/1183065006.db2.gz KXVITEZBOWZGRU-BZUAXINKSA-N 2 0 363.510 0.780 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)CC1CC1 ZINC001105007544 1183065876 /nfs/dbraw/zinc/06/58/76/1183065876.db2.gz BMXWYVJXIMJOJN-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010635 1183068305 /nfs/dbraw/zinc/06/83/05/1183068305.db2.gz UDRLJIPAJMSHKY-NXHRZFHOSA-N 2 0 368.522 0.165 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014709 1183069018 /nfs/dbraw/zinc/06/90/18/1183069018.db2.gz YEDITWDNZCLAFI-IAGOWNOFSA-N 2 0 368.522 0.309 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000974588753 1183355700 /nfs/dbraw/zinc/35/57/00/1183355700.db2.gz HJBABUWXGGSRRA-ZTFGCOKTSA-N 2 0 371.485 0.915 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001026853433 1183423570 /nfs/dbraw/zinc/42/35/70/1183423570.db2.gz HADAZYIZMYRUPG-OWCLPIDISA-N 2 0 363.510 0.922 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)C1 ZINC000974723685 1183501333 /nfs/dbraw/zinc/50/13/33/1183501333.db2.gz UKPBTVUXZJNIPM-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727334 1183505440 /nfs/dbraw/zinc/50/54/40/1183505440.db2.gz YQHVDHQXZMRVCQ-DJIMGWMZSA-N 2 0 363.506 0.508 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211662139 1183828502 /nfs/dbraw/zinc/82/85/02/1183828502.db2.gz UBLBIXRFHDLRFQ-CEXWTWQISA-N 2 0 363.502 0.920 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC000975718534 1185637525 /nfs/dbraw/zinc/63/75/25/1185637525.db2.gz IZEZMZZQJSENMA-ULQDDVLXSA-N 2 0 360.502 0.483 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976503667 1185963276 /nfs/dbraw/zinc/96/32/76/1185963276.db2.gz AOLMNJKSSNJUSI-OBRKIGFESA-N 2 0 362.518 0.772 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000978970886 1186039119 /nfs/dbraw/zinc/03/91/19/1186039119.db2.gz SIDQKEODIUOXNK-DMRKSPOLSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000978982216 1186042916 /nfs/dbraw/zinc/04/29/16/1186042916.db2.gz RCSHQLHWYLWSAE-TXCZRRACSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000980240352 1186203391 /nfs/dbraw/zinc/20/33/91/1186203391.db2.gz XZVKLULERKHYIP-RDHHWEPZSA-N 2 0 362.518 0.966 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CCCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776856 1186517720 /nfs/dbraw/zinc/51/77/20/1186517720.db2.gz YVWUJMRYUVGGFI-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCCNC2=O)C3)CC[N@@H+]1C ZINC000981778290 1186519188 /nfs/dbraw/zinc/51/91/88/1186519188.db2.gz FOSMWMZLZMNALA-BBWFWOEESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1C ZINC001268309386 1186704607 /nfs/dbraw/zinc/70/46/07/1186704607.db2.gz WVQQZKPLSBWWEY-ATZDWAIDSA-N 2 0 371.485 0.779 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102003 1187616752 /nfs/dbraw/zinc/61/67/52/1187616752.db2.gz IDKYMYIMIGVMSM-RRFJBIMHSA-N 2 0 369.510 0.150 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102268 1187617563 /nfs/dbraw/zinc/61/75/63/1187617563.db2.gz JJJOWINDWQZENT-KCPJHIHWSA-N 2 0 364.494 0.647 20 0 FCADRP COC(=O)NC(C)(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000729352448 1187718068 /nfs/dbraw/zinc/71/80/68/1187718068.db2.gz PCURIZWHWGUJJL-UHFFFAOYSA-N 2 0 363.462 0.845 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000420159475 1187799485 /nfs/dbraw/zinc/79/94/85/1187799485.db2.gz CSKJUAJHDRYZQL-KRWDZBQOSA-N 2 0 366.506 0.372 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3cncc3C)C2)CC[N@@H+]1C ZINC000982994574 1187810179 /nfs/dbraw/zinc/81/01/79/1187810179.db2.gz OTHZNENCQJWVLV-IXDOHACOSA-N 2 0 361.490 0.887 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813703 1187915254 /nfs/dbraw/zinc/91/52/54/1187915254.db2.gz MRQGPJHUFWWUJS-GVDBMIGSSA-N 2 0 369.469 0.861 20 0 FCADRP CN(CC(=O)N1CC2(C1)C[NH+](CCc1c[nH]c3ccccc13)C2)C(N)=[NH2+] ZINC001269992289 1187961366 /nfs/dbraw/zinc/96/13/66/1187961366.db2.gz FKNBFMXEKXNAKO-UHFFFAOYSA-N 2 0 354.458 0.680 20 0 FCADRP CN(CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1)C(N)=[NH2+] ZINC001269992341 1187961392 /nfs/dbraw/zinc/96/13/92/1187961392.db2.gz HLUGJFFXGUQTOG-SFHVURJKSA-N 2 0 360.462 0.427 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033757 1188213089 /nfs/dbraw/zinc/21/30/89/1188213089.db2.gz HLACFYDTXWFAIX-HKUYNNGSSA-N 2 0 372.513 0.876 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000785400001 1188219828 /nfs/dbraw/zinc/21/98/28/1188219828.db2.gz SNTVPNMBEAORMZ-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000550094951 1188222966 /nfs/dbraw/zinc/22/29/66/1188222966.db2.gz LTXSDRRUXZFCGI-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCOCC2)C1 ZINC000550271460 1188252471 /nfs/dbraw/zinc/25/24/71/1188252471.db2.gz OFSRIKSBDOUQPU-KRWDZBQOSA-N 2 0 366.506 0.015 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)CC[N@@H+]1C ZINC000983714309 1188281406 /nfs/dbraw/zinc/28/14/06/1188281406.db2.gz PSTONZIMYSKASJ-OVYGPGRDSA-N 2 0 360.506 0.980 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382765334 1188311793 /nfs/dbraw/zinc/31/17/93/1188311793.db2.gz RVHYXPJUQCYWCG-IRXDYDNUSA-N 2 0 367.515 0.729 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000550311585 1188318821 /nfs/dbraw/zinc/31/88/21/1188318821.db2.gz MAHUAKPVLYOUTA-IRXDYDNUSA-N 2 0 368.522 0.329 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000550412999 1188366688 /nfs/dbraw/zinc/36/66/88/1188366688.db2.gz PVUZWYLHTFTOSL-SFHVURJKSA-N 2 0 360.502 0.828 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001270878817 1188394093 /nfs/dbraw/zinc/39/40/93/1188394093.db2.gz CKEAQGPNEURSHB-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001029313560 1189373857 /nfs/dbraw/zinc/37/38/57/1189373857.db2.gz GAUGAVYNQAZDEE-DFBDCSAJSA-N 2 0 361.490 0.259 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087529637 1189384259 /nfs/dbraw/zinc/38/42/59/1189384259.db2.gz OCAGEGAETNKVCI-BBWFWOEESA-N 2 0 364.494 0.195 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808886 1189463269 /nfs/dbraw/zinc/46/32/69/1189463269.db2.gz HNHNKKNLPWOIRU-BVPBIZIASA-N 2 0 360.506 0.768 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)CC[NH+]3CCCC3)C2)C1=O ZINC001271061376 1189546815 /nfs/dbraw/zinc/54/68/15/1189546815.db2.gz MPBMXIHDHNMIEB-LJQANCHMSA-N 2 0 364.490 0.402 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087712371 1189800196 /nfs/dbraw/zinc/80/01/96/1189800196.db2.gz FFGSUQBERJMGOO-JKSUJKDBSA-N 2 0 364.490 0.446 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271140563 1189810906 /nfs/dbraw/zinc/81/09/06/1189810906.db2.gz TYPCHCHCDYJKEW-DNVCBOLYSA-N 2 0 364.490 0.400 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087796953 1189828178 /nfs/dbraw/zinc/82/81/78/1189828178.db2.gz RWBKXJWWFDIFPV-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000895333999 1189835973 /nfs/dbraw/zinc/83/59/73/1189835973.db2.gz NUEJZDYLILEHKM-QGZVFWFLSA-N 2 0 367.538 0.424 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCN1CCNC1=O ZINC001087840620 1189848669 /nfs/dbraw/zinc/84/86/69/1189848669.db2.gz GNWBCYYJVSDNPX-BBWFWOEESA-N 2 0 365.522 0.855 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccn2nnnc12 ZINC000896017242 1189915697 /nfs/dbraw/zinc/91/56/97/1189915697.db2.gz KOZPXCKZAOEXRW-UHFFFAOYSA-N 2 0 366.429 0.461 20 0 FCADRP CN1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n[nH]1 ZINC000896154730 1189976494 /nfs/dbraw/zinc/97/64/94/1189976494.db2.gz FRQTWLYKJFWGHY-KRWDZBQOSA-N 2 0 374.489 0.557 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CCC1 ZINC001087992340 1190142255 /nfs/dbraw/zinc/14/22/55/1190142255.db2.gz QALATLSFYBVGRP-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993392 1190143737 /nfs/dbraw/zinc/14/37/37/1190143737.db2.gz MTLPGMBXSRRLFK-IXDOHACOSA-N 2 0 363.506 0.132 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994883 1190148210 /nfs/dbraw/zinc/14/82/10/1190148210.db2.gz IOPDOBSGZDTVHQ-RYRKJORJSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999236 1190169238 /nfs/dbraw/zinc/16/92/38/1190169238.db2.gz BZIMMUDDOPBOGM-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010093 1190207410 /nfs/dbraw/zinc/20/74/10/1190207410.db2.gz IZSBCXPLPHFPJX-SJORKVTESA-N 2 0 362.518 0.731 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088020165 1190239279 /nfs/dbraw/zinc/23/92/79/1190239279.db2.gz XCAGLKNCFCOBAG-CABCVRRESA-N 2 0 355.442 0.783 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@@H]3C2)C1=O ZINC001088028076 1190267864 /nfs/dbraw/zinc/26/78/64/1190267864.db2.gz TXTNBJBJKKYEIY-SOLBZPMBSA-N 2 0 367.453 0.959 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064678 1190343183 /nfs/dbraw/zinc/34/31/83/1190343183.db2.gz PKWXUUIRQOTNAB-SJORKVTESA-N 2 0 360.506 0.933 20 0 FCADRP CC[NH+]1CCC(C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001271217363 1190362332 /nfs/dbraw/zinc/36/23/32/1190362332.db2.gz JCNIAUWPHQMPAL-OXQOHEQNSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088082054 1190467709 /nfs/dbraw/zinc/46/77/09/1190467709.db2.gz SKINNNUDLILPMP-NXOAAHMSSA-N 2 0 362.518 0.776 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083973 1190478109 /nfs/dbraw/zinc/47/81/09/1190478109.db2.gz RDTJAYGCFFYXTJ-ZBFHGGJFSA-N 2 0 362.474 0.823 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083978 1190478876 /nfs/dbraw/zinc/47/88/76/1190478876.db2.gz RHVBXXTZZCUXMP-KBMXLJTQSA-N 2 0 362.474 0.999 20 0 FCADRP C[NH+](C)CCN1CC2(CN(C(=O)CC34CCC[NH+]3CCC4)C2)OCC1=O ZINC001271939652 1190775805 /nfs/dbraw/zinc/77/58/05/1190775805.db2.gz IHLHCFXVZJGIJO-UHFFFAOYSA-N 2 0 364.490 0.006 20 0 FCADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CC13CCC[NH+]1CCC3)C2 ZINC001271942217 1190777879 /nfs/dbraw/zinc/77/78/79/1190777879.db2.gz YIRCEVQPRWLNTM-UHFFFAOYSA-N 2 0 364.490 0.006 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CCn3cccn3)C2)CC[N@@H+]1C ZINC001691529307 1190811371 /nfs/dbraw/zinc/81/13/71/1190811371.db2.gz YXIIEBUTVDYEKO-FGTMMUONSA-N 2 0 363.506 0.509 20 0 FCADRP C[N@@H+]1CCCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000530952356 1190883986 /nfs/dbraw/zinc/88/39/86/1190883986.db2.gz WLVPGUAKFQZNGX-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)CC1 ZINC000986131283 1190901750 /nfs/dbraw/zinc/90/17/50/1190901750.db2.gz PFZJLWXDUXTUPI-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132854 1190903054 /nfs/dbraw/zinc/90/30/54/1190903054.db2.gz IKJVAIRZQJTDFO-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@](C[NH2+]CCO)(c3ccccc3)C2)O1 ZINC001105429036 1191018031 /nfs/dbraw/zinc/01/80/31/1191018031.db2.gz KTNGSNNBVZDAKN-UIXUWTQFSA-N 2 0 361.486 0.504 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000897389231 1191047958 /nfs/dbraw/zinc/04/79/58/1191047958.db2.gz IPSYGTMZSNOQGQ-HNNXBMFYSA-N 2 0 371.485 0.862 20 0 FCADRP COC(=O)[C@H](Cc1ccc(OC2CN(C)C2)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001217965527 1224133815 /nfs/dbraw/zinc/13/38/15/1224133815.db2.gz SNJUTKRIUQNKSA-IRXDYDNUSA-N 2 0 363.458 0.563 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1noc2cccnc21 ZINC001218502748 1224164054 /nfs/dbraw/zinc/16/40/54/1224164054.db2.gz ICKNVOQLJYAOFZ-RYUDHWBXSA-N 2 0 360.418 0.609 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC001691594762 1193765014 /nfs/dbraw/zinc/76/50/14/1193765014.db2.gz AQEXABGKIXDBJO-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CN3CCCC[C@H]([NH3+])C3=O)nc2)CC1 ZINC001218515704 1224166490 /nfs/dbraw/zinc/16/64/90/1224166490.db2.gz KSEVOAAKKWJPNK-HNNXBMFYSA-N 2 0 360.462 0.112 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550780621 1193787174 /nfs/dbraw/zinc/78/71/74/1193787174.db2.gz IMSXQCPJLSLUFM-SJORKVTESA-N 2 0 367.538 0.119 20 0 FCADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)sc2C1 ZINC001218532691 1224168698 /nfs/dbraw/zinc/16/86/98/1224168698.db2.gz IUQVYUCRQSVGIB-GHMZBOCLSA-N 2 0 373.486 0.440 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550946063 1193821713 /nfs/dbraw/zinc/82/17/13/1193821713.db2.gz CHNBWQRHSJFRQQ-IAGOWNOFSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550946062 1193821891 /nfs/dbraw/zinc/82/18/91/1193821891.db2.gz CHNBWQRHSJFRQQ-DLBZAZTESA-N 2 0 367.538 0.118 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000551043330 1193830246 /nfs/dbraw/zinc/83/02/46/1193830246.db2.gz VFNPTOQTTQIDKZ-DLBZAZTESA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000551073776 1193831672 /nfs/dbraw/zinc/83/16/72/1193831672.db2.gz IWIIFBWWOYOJIP-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000551111852 1193833182 /nfs/dbraw/zinc/83/31/82/1193833182.db2.gz PGWGJWYTNDCNGI-CVEARBPZSA-N 2 0 368.522 0.138 20 0 FCADRP Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000551112057 1193833381 /nfs/dbraw/zinc/83/33/81/1193833381.db2.gz QLCPTMFFBRUKHN-QGZVFWFLSA-N 2 0 373.501 0.887 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551139967 1193836596 /nfs/dbraw/zinc/83/65/96/1193836596.db2.gz OBKHIGKWMCJVJM-DLBZAZTESA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551163989 1193837661 /nfs/dbraw/zinc/83/76/61/1193837661.db2.gz IZUMUIQULGPSTG-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105666364 1193890418 /nfs/dbraw/zinc/89/04/18/1193890418.db2.gz DXFBYDPAUHSOBN-WWNBULGVSA-N 2 0 365.518 0.431 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667310 1193930423 /nfs/dbraw/zinc/93/04/23/1193930423.db2.gz QIWWYKBDJBOOEE-LTDCPUDJSA-N 2 0 368.522 0.040 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552544883 1193938015 /nfs/dbraw/zinc/93/80/15/1193938015.db2.gz DZJSYNFWOSEVKL-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1=O ZINC000553168791 1193976781 /nfs/dbraw/zinc/97/67/81/1193976781.db2.gz VJPNPGKSOHDWGD-QGZVFWFLSA-N 2 0 358.486 0.739 20 0 FCADRP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ccn2)c1 ZINC001218622481 1224183152 /nfs/dbraw/zinc/18/31/52/1224183152.db2.gz XPIVGAWOTPRJSE-AWEZNQCLSA-N 2 0 370.413 0.192 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000553343143 1193990364 /nfs/dbraw/zinc/99/03/64/1193990364.db2.gz FQIZMVALHUFCAN-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(Nc1nonc1-c1nc2ccccc2[nH]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218627130 1224186047 /nfs/dbraw/zinc/18/60/47/1224186047.db2.gz SOPMUILLJVXFTR-BMLIUANNSA-N 2 0 353.386 0.751 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001218642222 1224188566 /nfs/dbraw/zinc/18/85/66/1224188566.db2.gz QFJMIZZLGPLUPJ-JKSUJKDBSA-N 2 0 352.398 0.079 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1C[NH3+] ZINC000842147405 1194057064 /nfs/dbraw/zinc/05/70/64/1194057064.db2.gz BXRYOZKENOUSQY-DJIMGWMZSA-N 2 0 366.506 0.332 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650989 1224190810 /nfs/dbraw/zinc/19/08/10/1224190810.db2.gz RFJYOVJFCKBGLV-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000842175596 1194081597 /nfs/dbraw/zinc/08/15/97/1194081597.db2.gz UBKBCUXBZDQOTC-QGZVFWFLSA-N 2 0 362.474 0.109 20 0 FCADRP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218661687 1224192639 /nfs/dbraw/zinc/19/26/39/1224192639.db2.gz PAEDBIVEZGTLOY-AWEZNQCLSA-N 2 0 374.445 0.898 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105675766 1194104855 /nfs/dbraw/zinc/10/48/55/1194104855.db2.gz RHKOEWNDEKAWDD-LFGUQSLTSA-N 2 0 367.534 0.821 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000842226202 1194107991 /nfs/dbraw/zinc/10/79/91/1194107991.db2.gz GWJSHWXFAUDDLD-SFHVURJKSA-N 2 0 360.502 0.735 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230403 1194109121 /nfs/dbraw/zinc/10/91/21/1194109121.db2.gz YZJFEKTWFRBERN-UHFFFAOYSA-N 2 0 372.469 0.987 20 0 FCADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710858 1224201641 /nfs/dbraw/zinc/20/16/41/1224201641.db2.gz MYEALQPNJSFMDC-NWDGAFQWSA-N 2 0 357.418 0.580 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724554 1224206070 /nfs/dbraw/zinc/20/60/70/1224206070.db2.gz JFHXRMIMIPKLST-WFASDCNBSA-N 2 0 360.462 0.286 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001076161630 1194336215 /nfs/dbraw/zinc/33/62/15/1194336215.db2.gz RFHATMQXCKLXAO-OKZBNKHCSA-N 2 0 360.506 0.933 20 0 FCADRP COC(=O)[C@@H](C)CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794483 1224212155 /nfs/dbraw/zinc/21/21/55/1224212155.db2.gz KYKSBUFBLYSGBM-QMTMVMCOSA-N 2 0 369.506 0.469 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(CC(=O)NC3CCOCC3)C[C@H]21)[NH+](C)C ZINC001076253393 1194375409 /nfs/dbraw/zinc/37/54/09/1194375409.db2.gz IZYRBNQLHDRUEL-BHYGNILZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407654 1194453747 /nfs/dbraw/zinc/45/37/47/1194453747.db2.gz PCCLHTLEHAYDCN-HLLBOEOZSA-N 2 0 366.506 0.107 20 0 FCADRP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001076573785 1194571791 /nfs/dbraw/zinc/57/17/91/1194571791.db2.gz ZMCBQCTXARVFRB-ZWKOTPCHSA-N 2 0 356.470 0.914 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cc2)CC1 ZINC001218845848 1224238672 /nfs/dbraw/zinc/23/86/72/1224238672.db2.gz KORKGUBXOVPTSN-SFHVURJKSA-N 2 0 373.501 0.093 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844478 1224237111 /nfs/dbraw/zinc/23/71/11/1224237111.db2.gz DDKUBLPUUHMJTD-BPQIPLTHSA-N 2 0 369.506 0.170 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)cc1 ZINC001218855212 1224240078 /nfs/dbraw/zinc/24/00/78/1224240078.db2.gz GNNDMRLVNPBYLR-UZLBHIALSA-N 2 0 373.501 0.648 20 0 FCADRP O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218850431 1224240117 /nfs/dbraw/zinc/24/01/17/1224240117.db2.gz LYPAAXZXJDCVDJ-DNVCBOLYSA-N 2 0 358.442 0.297 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)cc1 ZINC001218855209 1224241190 /nfs/dbraw/zinc/24/11/90/1224241190.db2.gz GNNDMRLVNPBYLR-OXQOHEQNSA-N 2 0 373.501 0.648 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218859989 1224242183 /nfs/dbraw/zinc/24/21/83/1224242183.db2.gz RCLXFKCMNFWLEE-MRXNPFEDSA-N 2 0 363.462 0.876 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2n[nH]nc2c1 ZINC001218877950 1224244098 /nfs/dbraw/zinc/24/40/98/1224244098.db2.gz WVCZUKZRCRLSFU-WFASDCNBSA-N 2 0 359.434 0.344 20 0 FCADRP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218927699 1224261913 /nfs/dbraw/zinc/26/19/13/1224261913.db2.gz KVPVZCVEMVGGJF-ZDUSSCGKSA-N 2 0 363.393 0.764 20 0 FCADRP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007197 1195141944 /nfs/dbraw/zinc/14/19/44/1195141944.db2.gz CTONWBQLNSOTIA-IPMKNSEASA-N 2 0 359.470 0.182 20 0 FCADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)c1 ZINC001077014279 1195148835 /nfs/dbraw/zinc/14/88/35/1195148835.db2.gz NHJYNCJUEAONEB-RTBURBONSA-N 2 0 371.485 0.728 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001077219728 1195328477 /nfs/dbraw/zinc/32/84/77/1195328477.db2.gz VQHBGJRGJRUZOQ-KZNAEPCWSA-N 2 0 365.518 0.839 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC001218970576 1224275425 /nfs/dbraw/zinc/27/54/25/1224275425.db2.gz KRWFCNCSRNHHKT-ZWKOTPCHSA-N 2 0 365.449 0.816 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1 ZINC001218971381 1224276652 /nfs/dbraw/zinc/27/66/52/1224276652.db2.gz YDUOARJMSPIAPH-ZGUYJTEBSA-N 2 0 369.506 0.291 20 0 FCADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218994774 1224281432 /nfs/dbraw/zinc/28/14/32/1224281432.db2.gz LHUMNTGFVFLQNU-HOCLYGCPSA-N 2 0 367.457 0.640 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000948 1224283547 /nfs/dbraw/zinc/28/35/47/1224283547.db2.gz HXSRLXYGOQMMDM-ZWKOTPCHSA-N 2 0 363.506 0.606 20 0 FCADRP CC1(C)CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418543 1195517741 /nfs/dbraw/zinc/51/77/41/1195517741.db2.gz UCDXMVXSNADDPY-LUJDSPJVSA-N 2 0 363.502 0.447 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC000905147311 1195577911 /nfs/dbraw/zinc/57/79/11/1195577911.db2.gz UWTNNPOZJCSVQM-UXHICEINSA-N 2 0 364.486 0.635 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000906540182 1195637411 /nfs/dbraw/zinc/63/74/11/1195637411.db2.gz LVIFZHZICDHQFE-HXUWFJFHSA-N 2 0 373.545 0.585 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000908022289 1195720279 /nfs/dbraw/zinc/72/02/79/1195720279.db2.gz VAOIJJKYZZAWJA-IBGZPJMESA-N 2 0 366.550 0.973 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219028036 1224300596 /nfs/dbraw/zinc/30/05/96/1224300596.db2.gz MYHRLAYVFIMXDR-HOTGVXAUSA-N 2 0 358.442 0.850 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000910829231 1195850669 /nfs/dbraw/zinc/85/06/69/1195850669.db2.gz ADYVOUBMJHKHLF-MRXNPFEDSA-N 2 0 373.501 0.919 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910832282 1195851413 /nfs/dbraw/zinc/85/14/13/1195851413.db2.gz MDTIUPPFIOSKEP-WBVHZDCISA-N 2 0 359.474 0.671 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cnc(C(=O)NCC3([NH+](C)C)CC3)cn2)CC1 ZINC000910932183 1195864588 /nfs/dbraw/zinc/86/45/88/1195864588.db2.gz WUGZCWVKKAJPMZ-UHFFFAOYSA-N 2 0 360.462 0.125 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])Cc1ccccc1 ZINC000911002667 1195877160 /nfs/dbraw/zinc/87/71/60/1195877160.db2.gz MFVLTFSQCNUYNW-RTBURBONSA-N 2 0 366.465 0.976 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[C@@H](C)C1 ZINC000911032614 1195881051 /nfs/dbraw/zinc/88/10/51/1195881051.db2.gz FSRFTUSZWHRVDV-BBWFWOEESA-N 2 0 368.522 0.437 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000911099424 1195888510 /nfs/dbraw/zinc/88/85/10/1195888510.db2.gz DQZLAZXBPCLTAB-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911101186 1195889535 /nfs/dbraw/zinc/88/95/35/1195889535.db2.gz ICGXTEIIJIZRLO-JKIFEVAISA-N 2 0 359.474 0.529 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000911102215 1195889571 /nfs/dbraw/zinc/88/95/71/1195889571.db2.gz OHZMDDVSORWTQB-QGZVFWFLSA-N 2 0 373.501 0.811 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000911165215 1195902859 /nfs/dbraw/zinc/90/28/59/1195902859.db2.gz OVWSTRHODAQBDI-MXSMSXNCSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000911243351 1195921880 /nfs/dbraw/zinc/92/18/80/1195921880.db2.gz OKSGBNLQEPARBX-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000911403173 1195954461 /nfs/dbraw/zinc/95/44/61/1195954461.db2.gz NRZYUULJUMRNCS-UHFFFAOYSA-N 2 0 355.442 0.751 20 0 FCADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077444111 1196405520 /nfs/dbraw/zinc/40/55/20/1196405520.db2.gz KUQNFDIRYCIXFL-KFKAGJAMSA-N 2 0 361.486 0.602 20 0 FCADRP Cc1nn(C)cc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444294 1196410131 /nfs/dbraw/zinc/41/01/31/1196410131.db2.gz RXGDOZKEFRDTMI-KZNAEPCWSA-N 2 0 361.490 0.264 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000592487156 1196564449 /nfs/dbraw/zinc/56/44/49/1196564449.db2.gz CJVFRODSMNNCAZ-SJORKVTESA-N 2 0 362.474 0.242 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960875 1196601552 /nfs/dbraw/zinc/60/15/52/1196601552.db2.gz FZDXVDACZGHGHO-CVEARBPZSA-N 2 0 362.522 0.723 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736325 1196735165 /nfs/dbraw/zinc/73/51/65/1196735165.db2.gz AIIQCGGZJUTVLB-IEBWSBKVSA-N 2 0 358.486 0.905 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088939915 1196842734 /nfs/dbraw/zinc/84/27/34/1196842734.db2.gz QRCIRYUSUVVKQV-KURKYZTESA-N 2 0 363.506 0.555 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000992157799 1196981231 /nfs/dbraw/zinc/98/12/31/1196981231.db2.gz QVGVMYJERZUGDN-SJJHQCBESA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000992240251 1197029902 /nfs/dbraw/zinc/02/99/02/1197029902.db2.gz KBUYHONMNOCFLV-SJJHQCBESA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+](C)CC1(O)CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000913680591 1197106473 /nfs/dbraw/zinc/10/64/73/1197106473.db2.gz VYHQFIOBYYUYPL-HXUWFJFHSA-N 2 0 361.486 0.539 20 0 FCADRP C[C@H](CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949063 1197157740 /nfs/dbraw/zinc/15/77/40/1197157740.db2.gz MIZOOBUZGUNJKD-NSISKUIASA-N 2 0 362.518 0.969 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106143023 1197296111 /nfs/dbraw/zinc/29/61/11/1197296111.db2.gz KRBFQBJULSATCP-SUMDDJOVSA-N 2 0 359.518 0.989 20 0 FCADRP COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219261028 1224406653 /nfs/dbraw/zinc/40/66/53/1224406653.db2.gz ZLIOQLRKECZVPH-ZDUSSCGKSA-N 2 0 361.446 0.856 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085245917 1197738218 /nfs/dbraw/zinc/73/82/18/1197738218.db2.gz UFYWXEVQTBXRSF-KFWWJZLASA-N 2 0 365.478 0.040 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085269575 1197774461 /nfs/dbraw/zinc/77/44/61/1197774461.db2.gz GZYMIUJTPFPIOY-OAGGEKHMSA-N 2 0 368.441 0.786 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106248710 1197782981 /nfs/dbraw/zinc/78/29/81/1197782981.db2.gz XBOJFLALZXIHKI-FGTMMUONSA-N 2 0 362.522 0.940 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106249697 1197784493 /nfs/dbraw/zinc/78/44/93/1197784493.db2.gz NZDIVJZOGXKPRJ-SUYBPPKGSA-N 2 0 363.462 0.637 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106256073 1197794945 /nfs/dbraw/zinc/79/49/45/1197794945.db2.gz WPVWHSAVCOKXQX-HZPDHXFCSA-N 2 0 367.538 0.862 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnn(C)n2)C1 ZINC001085306886 1197809167 /nfs/dbraw/zinc/80/91/67/1197809167.db2.gz VNSAIJZUZMXLHS-BZUAXINKSA-N 2 0 363.510 0.849 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993098800 1197821709 /nfs/dbraw/zinc/82/17/09/1197821709.db2.gz VGWBAFVVIYPQAP-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085332371 1197824833 /nfs/dbraw/zinc/82/48/33/1197824833.db2.gz VBMFOINHEPKXQC-BRWVUGGUSA-N 2 0 366.506 0.347 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316203 1197863498 /nfs/dbraw/zinc/86/34/98/1197863498.db2.gz JEQHOFLCWXPCIP-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC[NH+]2CCCC2)CC1 ZINC000735585998 1197864235 /nfs/dbraw/zinc/86/42/35/1197864235.db2.gz REIXCOUDLRTZMP-UHFFFAOYSA-N 2 0 359.474 0.589 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106340371 1197870239 /nfs/dbraw/zinc/87/02/39/1197870239.db2.gz UVQRYWLHDIMQSU-HUUCEWRRSA-N 2 0 365.526 0.998 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001106346393 1197872924 /nfs/dbraw/zinc/87/29/24/1197872924.db2.gz AZWIRYBHDKMJTO-HZPDHXFCSA-N 2 0 371.489 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001106346570 1197873563 /nfs/dbraw/zinc/87/35/63/1197873563.db2.gz ISBGVESOLKLGEB-HZPDHXFCSA-N 2 0 371.489 0.921 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1)[NH+](C)C ZINC000993157979 1197901995 /nfs/dbraw/zinc/90/19/95/1197901995.db2.gz VHFHVYPSSPCUTR-MDZRGWNJSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1)[NH+](C)C ZINC000993162150 1197912333 /nfs/dbraw/zinc/91/23/33/1197912333.db2.gz KAWYYSCPCDQAHX-UWVAXJGDSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106599182 1198029276 /nfs/dbraw/zinc/02/92/76/1198029276.db2.gz BYGFEZGXGCRZEM-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001106599587 1198029315 /nfs/dbraw/zinc/02/93/15/1198029315.db2.gz NIUVYVJFSJVJKU-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106601727 1198031906 /nfs/dbraw/zinc/03/19/06/1198031906.db2.gz ANEGKSXPTAXMDZ-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP COC(=O)[C@H]1CCc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccc21 ZINC001219425812 1224463533 /nfs/dbraw/zinc/46/35/33/1224463533.db2.gz VUWUVUMJROZORO-IRXDYDNUSA-N 2 0 360.458 0.578 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001086091938 1198157438 /nfs/dbraw/zinc/15/74/38/1198157438.db2.gz SWLMBTCUJGBAEJ-XUWVNRHRSA-N 2 0 364.490 0.350 20 0 FCADRP COC(=O)[C@@H]1CCc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccc21 ZINC001219425813 1224464076 /nfs/dbraw/zinc/46/40/76/1224464076.db2.gz VUWUVUMJROZORO-SJORKVTESA-N 2 0 360.458 0.578 20 0 FCADRP COC(=O)c1nc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccc2o1 ZINC001219439357 1224468101 /nfs/dbraw/zinc/46/81/01/1224468101.db2.gz IHUZGNVQJJYFKI-GFCCVEGCSA-N 2 0 361.402 0.303 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086369051 1198329605 /nfs/dbraw/zinc/32/96/05/1198329605.db2.gz NDLWLESUVGOHKT-HSMRXVHUSA-N 2 0 366.506 0.092 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001086370020 1198331194 /nfs/dbraw/zinc/33/11/94/1198331194.db2.gz MEYRNKPQFUYSAR-BQJWPVKWSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001086371083 1198331872 /nfs/dbraw/zinc/33/18/72/1198331872.db2.gz OZTUDJRSKSOEQP-KLHDSHLOSA-N 2 0 360.506 0.939 20 0 FCADRP O=C(Nc1ccc(O[C@H]2CCNCC2(F)F)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453696 1224475908 /nfs/dbraw/zinc/47/59/08/1224475908.db2.gz NNGRWCULOQVGMW-GJZGRUSLSA-N 2 0 366.412 0.810 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000744907636 1198341341 /nfs/dbraw/zinc/34/13/41/1198341341.db2.gz HMAALYBTTXDFGI-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001219490009 1224486057 /nfs/dbraw/zinc/48/60/57/1224486057.db2.gz ZTAGMHVWFLPKIG-HOTGVXAUSA-N 2 0 361.490 0.711 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])C1CCOCC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504270 1224491602 /nfs/dbraw/zinc/49/16/02/1224491602.db2.gz RWQRYKWKCUTUNB-LPHOPBHVSA-N 2 0 374.441 0.571 20 0 FCADRP O=C(NCCN1CCCCC1=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219569230 1224512651 /nfs/dbraw/zinc/51/26/51/1224512651.db2.gz HWZCVTAQOOUZPF-GOSISDBHSA-N 2 0 370.497 0.837 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000746384285 1199019042 /nfs/dbraw/zinc/01/90/42/1199019042.db2.gz YFQYZRKPTBFJEC-MRXNPFEDSA-N 2 0 363.506 0.624 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001169194918 1199053012 /nfs/dbraw/zinc/05/30/12/1199053012.db2.gz FVTSGOPKTADKOT-HZSPNIEDSA-N 2 0 362.478 0.462 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001169170481 1199054304 /nfs/dbraw/zinc/05/43/04/1199054304.db2.gz VZHNJGGRVPWGHZ-KGLIPLIRSA-N 2 0 362.478 0.416 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1nncc1C[NH3+] ZINC001169308894 1199060897 /nfs/dbraw/zinc/06/08/97/1199060897.db2.gz UXGOCHPRRQGRTF-GFCCVEGCSA-N 2 0 362.434 0.227 20 0 FCADRP C[NH+]1CCN(Cc2ccccc2C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219625890 1224535328 /nfs/dbraw/zinc/53/53/28/1224535328.db2.gz GVKPONYHCOIKIU-PKOBYXMFSA-N 2 0 364.465 0.226 20 0 FCADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001219642369 1224543680 /nfs/dbraw/zinc/54/36/80/1224543680.db2.gz SGSOEKIWHPXRRB-OAGGEKHMSA-N 2 0 361.490 0.671 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001219648908 1224544194 /nfs/dbraw/zinc/54/41/94/1224544194.db2.gz CDGJYWDMKOLLPY-BVBHFADKSA-N 2 0 372.513 0.828 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723125 1224576774 /nfs/dbraw/zinc/57/67/74/1224576774.db2.gz JDALPUYNAUTVMM-RBUKOAKNSA-N 4 0 373.545 0.671 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219726977 1224579458 /nfs/dbraw/zinc/57/94/58/1224579458.db2.gz TTZSLCUABTWABX-QRVBRYPASA-N 3 0 372.513 0.185 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219737330 1224585578 /nfs/dbraw/zinc/58/55/78/1224585578.db2.gz SZCJTBUADGXJRS-RHSMWYFYSA-N 2 0 357.454 0.564 20 0 FCADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385974 1200110292 /nfs/dbraw/zinc/11/02/92/1200110292.db2.gz URJZNYKXMYKGTH-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)c2ccco2)CC1 ZINC001219747214 1224592761 /nfs/dbraw/zinc/59/27/61/1224592761.db2.gz RXBLDPIXGGWUER-QGZVFWFLSA-N 2 0 373.461 0.145 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765228 1224600825 /nfs/dbraw/zinc/60/08/25/1224600825.db2.gz XLBGFTSDUWDOOS-AABGKKOBSA-N 2 0 371.529 0.260 20 0 FCADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772160 1224606692 /nfs/dbraw/zinc/60/66/92/1224606692.db2.gz XPYGDZAHPZHNHU-XLIONFOSSA-N 2 0 360.477 0.916 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)c1 ZINC001219796121 1224615453 /nfs/dbraw/zinc/61/54/53/1224615453.db2.gz NDXACFAUAXKGBY-IBGZPJMESA-N 3 0 360.502 0.898 20 0 FCADRP C[C@@H](c1cnccn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847987 1200559356 /nfs/dbraw/zinc/55/93/56/1200559356.db2.gz QFQWYCACHNNYAE-DFGXFYAUSA-N 2 0 359.474 0.981 20 0 FCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001109848012 1200559854 /nfs/dbraw/zinc/55/98/54/1200559854.db2.gz RLBJSAAOMJXQRG-IKGGRYGDSA-N 2 0 364.490 0.053 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219799721 1224620201 /nfs/dbraw/zinc/62/02/01/1224620201.db2.gz BDAUGHHRKBBLHL-INIZCTEOSA-N 2 0 358.486 0.879 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803563 1224622712 /nfs/dbraw/zinc/62/27/12/1224622712.db2.gz XIQNCFQSYPFRTL-RDJZCZTQSA-N 2 0 354.454 0.989 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980138 1200664583 /nfs/dbraw/zinc/66/45/83/1200664583.db2.gz JTVGBYXMHVMEIM-OWSLCNJRSA-N 2 0 371.522 0.320 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110002557 1200695445 /nfs/dbraw/zinc/69/54/45/1200695445.db2.gz LOJYNOBZQJMLLL-OWSLCNJRSA-N 2 0 363.506 0.697 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805712 1224626224 /nfs/dbraw/zinc/62/62/24/1224626224.db2.gz QCUKHNRPQFAWBW-QYZOEREBSA-N 2 0 361.486 0.739 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219811665 1224628722 /nfs/dbraw/zinc/62/87/22/1224628722.db2.gz YJEOWIJOZBRMTA-XOBRGWDASA-N 2 0 367.453 0.663 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000785521363 1200766961 /nfs/dbraw/zinc/76/69/61/1200766961.db2.gz VILPRKGWVLTOOE-IAGOWNOFSA-N 2 0 366.506 0.204 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC1 ZINC001112551784 1200773273 /nfs/dbraw/zinc/77/32/73/1200773273.db2.gz QDLMXBHHLKPHCM-ICSRJNTNSA-N 2 0 367.534 0.946 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112548483 1200774626 /nfs/dbraw/zinc/77/46/26/1200774626.db2.gz CCCNPZGKAVAPJS-KHYOSLBOSA-N 2 0 364.490 0.352 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)N2CCC[NH2+]CC2)cc1 ZINC001219814459 1224632219 /nfs/dbraw/zinc/63/22/19/1224632219.db2.gz FFPRUJRSXBYZSF-ZJOUEHCJSA-N 2 0 372.513 0.684 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112557704 1200784210 /nfs/dbraw/zinc/78/42/10/1200784210.db2.gz TWXXWVHAJOBKND-MPGHIAIKSA-N 2 0 363.510 0.831 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815887 1224631620 /nfs/dbraw/zinc/63/16/20/1224631620.db2.gz PLKGSFCVHAFEKP-SJORKVTESA-N 2 0 364.494 0.094 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563552 1200797350 /nfs/dbraw/zinc/79/73/50/1200797350.db2.gz AJRMGWORQFVTGJ-LPHOPBHVSA-N 2 0 368.522 0.309 20 0 FCADRP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2)NC1CC1 ZINC001112564079 1200797534 /nfs/dbraw/zinc/79/75/34/1200797534.db2.gz CBJXFYPJQAEHHA-YWZLYKJASA-N 2 0 360.502 0.579 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112578898 1200817612 /nfs/dbraw/zinc/81/76/12/1200817612.db2.gz LYUFBMXURBJOBM-PXNSSMCTSA-N 2 0 362.518 0.827 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219833403 1224645327 /nfs/dbraw/zinc/64/53/27/1224645327.db2.gz CQUIYMLVSHJNBQ-ZNWBIBPKSA-N 2 0 359.470 0.849 20 0 FCADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219835152 1224646192 /nfs/dbraw/zinc/64/61/92/1224646192.db2.gz YHVAXOZMSIEDNZ-GPMSIDNRSA-N 2 0 362.474 0.109 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391187 1201073348 /nfs/dbraw/zinc/07/33/48/1201073348.db2.gz ZQKSONCXJIGOJK-HNAYVOBHSA-N 2 0 366.506 0.638 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219848089 1224652522 /nfs/dbraw/zinc/65/25/22/1224652522.db2.gz WHPQQBKPXMJHLV-MGPUTAFESA-N 2 0 359.470 0.500 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219849704 1224653083 /nfs/dbraw/zinc/65/30/83/1224653083.db2.gz GBIVMVBBHLZYKH-OKZBNKHCSA-N 2 0 358.486 0.735 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000793695447 1201257605 /nfs/dbraw/zinc/25/76/05/1201257605.db2.gz DDCXAQQDXOHTSK-INIZCTEOSA-N 2 0 368.522 0.282 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703316 1201259764 /nfs/dbraw/zinc/25/97/64/1201259764.db2.gz UMTGXFCPONKLFV-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793794648 1201265647 /nfs/dbraw/zinc/26/56/47/1201265647.db2.gz MUKCHQFIYSSJFM-DOTOQJQBSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129400280 1201305818 /nfs/dbraw/zinc/30/58/18/1201305818.db2.gz CJYCZQKJDBNNTM-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461636 1201328350 /nfs/dbraw/zinc/32/83/50/1201328350.db2.gz YDZVKSWTDAJGME-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP Cc1nccn1CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624158 1201358948 /nfs/dbraw/zinc/35/89/48/1201358948.db2.gz QENYXPOWKKVYAC-RCCFBDPRSA-N 2 0 367.453 0.664 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCC1 ZINC001129845725 1201404391 /nfs/dbraw/zinc/40/43/91/1201404391.db2.gz SSIQBPYCAKUQFU-CVEARBPZSA-N 2 0 364.494 0.267 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838127 1201410714 /nfs/dbraw/zinc/41/07/14/1201410714.db2.gz ROEDZBIAVFUFHR-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894697 1201428598 /nfs/dbraw/zinc/42/85/98/1201428598.db2.gz PWWGOCOVKZVQIP-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895918 1201430344 /nfs/dbraw/zinc/43/03/44/1201430344.db2.gz MCNAMYFCQMGDIA-ZACQAIPSSA-N 2 0 364.494 0.244 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129934129 1201436565 /nfs/dbraw/zinc/43/65/65/1201436565.db2.gz QDNSDXVKBNQHTK-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001219899355 1224674359 /nfs/dbraw/zinc/67/43/59/1224674359.db2.gz VDANHTXFIPFRIB-HOTGVXAUSA-N 2 0 364.490 0.185 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1n1ccnn1 ZINC001129945594 1201453581 /nfs/dbraw/zinc/45/35/81/1201453581.db2.gz RZVGXTHHBDNTKX-XHSDSOJGSA-N 2 0 364.494 0.265 20 0 FCADRP CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C1CC1 ZINC001129992039 1201470347 /nfs/dbraw/zinc/47/03/47/1201470347.db2.gz JBVWBABAFSOMIU-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130047827 1201486588 /nfs/dbraw/zinc/48/65/88/1201486588.db2.gz VQJNZNIAHVFFGW-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130079532 1201496004 /nfs/dbraw/zinc/49/60/04/1201496004.db2.gz ODIJPDUOVFTHCB-SJORKVTESA-N 2 0 357.462 0.557 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130137234 1201514138 /nfs/dbraw/zinc/51/41/38/1201514138.db2.gz OVQWYQKRZLFXTP-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130137235 1201514350 /nfs/dbraw/zinc/51/43/50/1201514350.db2.gz OVQWYQKRZLFXTP-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140000 1201515796 /nfs/dbraw/zinc/51/57/96/1201515796.db2.gz LOZCNOLTAMHTKX-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919929 1224681282 /nfs/dbraw/zinc/68/12/82/1224681282.db2.gz UETFFMNHQPPUAB-KSZLIROESA-N 2 0 362.474 0.638 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1)[NH+](C)C ZINC001130221106 1201551098 /nfs/dbraw/zinc/55/10/98/1201551098.db2.gz VDCOIUNPHROZFX-ZNMIVQPWSA-N 2 0 366.510 0.879 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)C[NH+](CC)CC)[nH]1 ZINC001130220920 1201551293 /nfs/dbraw/zinc/55/12/93/1201551293.db2.gz QSBCEOZRNKISKW-IHRRRGAJSA-N 2 0 370.473 0.583 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919810 1224681687 /nfs/dbraw/zinc/68/16/87/1224681687.db2.gz PAJFCDNDHRLHDM-JQHSSLGASA-N 2 0 362.474 0.496 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+](C)C)[nH]1 ZINC001130233070 1201558534 /nfs/dbraw/zinc/55/85/34/1201558534.db2.gz XKOYCYOZVKBDAL-GJZGRUSLSA-N 2 0 366.510 0.881 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1)[NH+](C)C ZINC001130238182 1201561106 /nfs/dbraw/zinc/56/11/06/1201561106.db2.gz XPIYMQRCIMXZLY-IHRRRGAJSA-N 2 0 370.473 0.583 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001130246339 1201565919 /nfs/dbraw/zinc/56/59/19/1201565919.db2.gz GOGAUWBNUWYIFU-KBPBESRZSA-N 2 0 362.478 0.389 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130246675 1201566414 /nfs/dbraw/zinc/56/64/14/1201566414.db2.gz MMOBJEFYFRSCEM-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931515 1224687946 /nfs/dbraw/zinc/68/79/46/1224687946.db2.gz TUNCBDGHUJTQGH-KRWDZBQOSA-N 2 0 361.490 0.799 20 0 FCADRP COC(=O)C1(NC(=O)C2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001219999026 1224722980 /nfs/dbraw/zinc/72/29/80/1224722980.db2.gz IJLXYFXCELDLFC-UHFFFAOYSA-N 2 0 360.458 0.405 20 0 FCADRP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)CC[NH2+]CC1 ZINC001220001647 1224723441 /nfs/dbraw/zinc/72/34/41/1224723441.db2.gz UTPQHHAQZLIPIM-OAHLLOKOSA-N 2 0 356.426 0.516 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)n3ccc(C[NH3+])cc3=N)cc(=O)oc2c1 ZINC001220045133 1224736052 /nfs/dbraw/zinc/73/60/52/1224736052.db2.gz MWFORRPPNGHNLM-HNNXBMFYSA-N 2 0 368.393 0.751 20 0 FCADRP COC(=O)CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220048282 1224737358 /nfs/dbraw/zinc/73/73/58/1224737358.db2.gz MQCPTXYNBLTKQV-GJZGRUSLSA-N 2 0 370.494 0.283 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209787 1202714143 /nfs/dbraw/zinc/71/41/43/1202714143.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 2 0 367.538 0.118 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCCO)c1 ZINC001130596916 1202728251 /nfs/dbraw/zinc/72/82/51/1202728251.db2.gz WRZRSLCBZWMJIS-SOLBZPMBSA-N 2 0 361.490 0.028 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130639460 1202741498 /nfs/dbraw/zinc/74/14/98/1202741498.db2.gz DCUDAOHIUGBZPP-DOTOQJQBSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672559 1202752204 /nfs/dbraw/zinc/75/22/04/1202752204.db2.gz SWPOVZNNSDXZJY-DOTOQJQBSA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)C(C)C ZINC001130692359 1202754789 /nfs/dbraw/zinc/75/47/89/1202754789.db2.gz GJQZOSZIPBRWHP-CGTJXYLNSA-N 2 0 365.522 0.663 20 0 FCADRP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130804501 1202800581 /nfs/dbraw/zinc/80/05/81/1202800581.db2.gz HEYCDFYMAIMGHU-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CCC3)O2)n[nH]1 ZINC001130802347 1202803388 /nfs/dbraw/zinc/80/33/88/1202803388.db2.gz PJMJOBBTUJFKFJ-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130812038 1202804897 /nfs/dbraw/zinc/80/48/97/1202804897.db2.gz YIVVZWLGSRNJRX-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130813570 1202806045 /nfs/dbraw/zinc/80/60/45/1202806045.db2.gz RHFVSROZPKOQDL-UONOGXRCSA-N 2 0 370.473 0.932 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130816384 1202807114 /nfs/dbraw/zinc/80/71/14/1202807114.db2.gz UJFXZBNSSAUFCU-UONOGXRCSA-N 2 0 370.473 0.932 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012081 1202844361 /nfs/dbraw/zinc/84/43/61/1202844361.db2.gz AFIWBZYHNSFHGZ-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCCO ZINC001131026169 1202848045 /nfs/dbraw/zinc/84/80/45/1202848045.db2.gz YWZOCVLTTJFBMU-IAGOWNOFSA-N 2 0 368.441 0.648 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)[NH+](CC)CC ZINC001131073546 1202859231 /nfs/dbraw/zinc/85/92/31/1202859231.db2.gz GUMKNQDSMAHSTL-ZACQAIPSSA-N 2 0 365.522 0.807 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108345 1202864750 /nfs/dbraw/zinc/86/47/50/1202864750.db2.gz QMORSEVIFMNFJF-BZUAXINKSA-N 2 0 369.485 0.630 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCO ZINC001131127743 1202868037 /nfs/dbraw/zinc/86/80/37/1202868037.db2.gz AOERNWAFMFTVFY-IAGOWNOFSA-N 2 0 363.506 0.563 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCO ZINC001131132815 1202869910 /nfs/dbraw/zinc/86/99/10/1202869910.db2.gz SOKYBRUXUPSFPW-IAGOWNOFSA-N 2 0 363.506 0.563 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131316147 1202885536 /nfs/dbraw/zinc/88/55/36/1202885536.db2.gz CRUHKJDFKNVRJM-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1 ZINC001131313555 1202888073 /nfs/dbraw/zinc/88/80/73/1202888073.db2.gz WFGDERJDEMDCLR-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555521 1202913401 /nfs/dbraw/zinc/91/34/01/1202913401.db2.gz JNVUPFRJJJYABF-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962805 1202938280 /nfs/dbraw/zinc/93/82/80/1202938280.db2.gz KQXPZZDQTRPOPB-APWZRJJASA-N 2 0 370.538 0.974 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126431 1203015796 /nfs/dbraw/zinc/01/57/96/1203015796.db2.gz QEDGCHLKCGRVHM-QGTPRVQTSA-N 2 0 358.486 0.705 20 0 FCADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126584 1203015875 /nfs/dbraw/zinc/01/58/75/1203015875.db2.gz YLGZIWAPOQKAIA-SQNIBIBYSA-N 2 0 358.486 0.658 20 0 FCADRP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1)N1CCC1 ZINC001086730565 1203050429 /nfs/dbraw/zinc/05/04/29/1203050429.db2.gz ZLJXDMMEHKPCFS-DLBZAZTESA-N 2 0 362.518 0.969 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086731286 1203052415 /nfs/dbraw/zinc/05/24/15/1203052415.db2.gz FAAUQPCQUQEKPW-LSDHHAIUSA-N 2 0 361.494 0.461 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001086737223 1203063226 /nfs/dbraw/zinc/06/32/26/1203063226.db2.gz BNYVDDUPTQASDM-MELADBBJSA-N 2 0 358.450 0.044 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086785343 1203089950 /nfs/dbraw/zinc/08/99/50/1203089950.db2.gz VAKZPOSLWRKSDM-UXLLHSPISA-N 2 0 364.494 0.299 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001086793766 1203095494 /nfs/dbraw/zinc/09/54/94/1203095494.db2.gz LJPMGYYCHDLSPU-UAGQMJEPSA-N 2 0 360.506 0.982 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000817926577 1203126648 /nfs/dbraw/zinc/12/66/48/1203126648.db2.gz NMIRRMFDFNWINK-UHFFFAOYSA-N 2 0 360.502 0.817 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986724 1203130158 /nfs/dbraw/zinc/13/01/58/1203130158.db2.gz NPVLTCVRWFWPHR-OXFYSEKESA-N 2 0 360.502 0.816 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086825598 1203151243 /nfs/dbraw/zinc/15/12/43/1203151243.db2.gz TWVHPRKAMWBOHE-NUEKZKHPSA-N 2 0 364.494 0.197 20 0 FCADRP CON(C)C(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000819369234 1203156181 /nfs/dbraw/zinc/15/61/81/1203156181.db2.gz WGVZYZYQEVIVGF-UHFFFAOYSA-N 2 0 362.474 0.883 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)CNC2CC[NH2+]CC2)c1 ZINC001220120428 1224776663 /nfs/dbraw/zinc/77/66/63/1224776663.db2.gz BSDAGZYIYOUAEH-UHFFFAOYSA-N 2 0 361.446 0.740 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000844004107 1203329384 /nfs/dbraw/zinc/32/93/84/1203329384.db2.gz XVBVHHSYNPINRM-KRZKXXONSA-N 2 0 359.470 0.918 20 0 FCADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000844190495 1203338643 /nfs/dbraw/zinc/33/86/43/1203338643.db2.gz IMKCWWVHPXNBAT-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844190902 1203338735 /nfs/dbraw/zinc/33/87/35/1203338735.db2.gz FJJSZXQJSNZVKZ-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP COC(=O)[C@]1(NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228704 1224810146 /nfs/dbraw/zinc/81/01/46/1224810146.db2.gz VGJSWESIWYCUFO-APWZRJJASA-N 2 0 361.442 0.299 20 0 FCADRP COC(=O)[C@]1(NC(=O)C2CC3(C[NH2+]C3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228399 1224810392 /nfs/dbraw/zinc/81/03/92/1224810392.db2.gz LSVJGAKKPZVBRZ-FQEVSTJZSA-N 2 0 357.454 0.920 20 0 FCADRP COC(=O)[C@]1(NC(=O)C[C@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228705 1224810416 /nfs/dbraw/zinc/81/04/16/1224810416.db2.gz VGJSWESIWYCUFO-LPHOPBHVSA-N 2 0 361.442 0.299 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228342 1224810424 /nfs/dbraw/zinc/81/04/24/1224810424.db2.gz JLZFECOOBCPJIV-PXNSSMCTSA-N 3 0 374.485 0.247 20 0 FCADRP O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000844225943 1204379307 /nfs/dbraw/zinc/37/93/07/1204379307.db2.gz JBLQVAJFVIKYRO-IBGZPJMESA-N 2 0 364.534 0.966 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844223113 1204379581 /nfs/dbraw/zinc/37/95/81/1204379581.db2.gz RAPHQNFWVDMXSR-INIZCTEOSA-N 2 0 358.490 0.589 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220315503 1224827085 /nfs/dbraw/zinc/82/70/85/1224827085.db2.gz DNVFYTDVROLAPS-IEZWGBDMSA-N 2 0 362.474 0.643 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315370 1224827213 /nfs/dbraw/zinc/82/72/13/1224827213.db2.gz BYYPEPMQIVXQDR-BXWFABGCSA-N 2 0 361.442 0.475 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220315505 1224827446 /nfs/dbraw/zinc/82/74/46/1224827446.db2.gz DNVFYTDVROLAPS-VDZJLULYSA-N 2 0 362.474 0.643 20 0 FCADRP CCC(=O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143972249 1204408426 /nfs/dbraw/zinc/40/84/26/1204408426.db2.gz YEHQDXLMKLQAPK-ACMLMGIUSA-N 2 0 373.494 0.261 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)cn2)CC1 ZINC000844916797 1204443670 /nfs/dbraw/zinc/44/36/70/1204443670.db2.gz XNURRLXFJOZZKV-KXBFYZLASA-N 2 0 370.457 0.761 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220351218 1224839267 /nfs/dbraw/zinc/83/92/67/1224839267.db2.gz WNLQGJWWHAKVTK-IXDOHACOSA-N 3 0 362.474 0.628 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358038 1224841977 /nfs/dbraw/zinc/84/19/77/1224841977.db2.gz OKRRSECYPWCEEP-KZNAEPCWSA-N 2 0 374.485 0.465 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358665 1224842146 /nfs/dbraw/zinc/84/21/46/1224842146.db2.gz WBRSVJMGMSSQKY-NCOADZHNSA-N 2 0 360.458 0.251 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357452 1224842163 /nfs/dbraw/zinc/84/21/63/1224842163.db2.gz JKOBSPGVRGRXRX-IPELMVKDSA-N 2 0 363.502 0.727 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC001144942749 1204664992 /nfs/dbraw/zinc/66/49/92/1204664992.db2.gz ANJFOOUGLRVVQV-INIZCTEOSA-N 2 0 363.458 0.838 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359713 1224843792 /nfs/dbraw/zinc/84/37/92/1224843792.db2.gz VSNLHBZNUFQJTN-BBWFWOEESA-N 2 0 369.506 0.075 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673817 /nfs/dbraw/zinc/67/38/17/1204673817.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 0 370.538 0.926 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387161 1224852265 /nfs/dbraw/zinc/85/22/65/1224852265.db2.gz DFNQPHDUMWCUSQ-UHOSZYNNSA-N 2 0 361.486 0.849 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086970596 1204870133 /nfs/dbraw/zinc/87/01/33/1204870133.db2.gz YSCJQGQRXPCFQZ-KSZLIROESA-N 2 0 371.489 0.295 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001086970999 1204870368 /nfs/dbraw/zinc/87/03/68/1204870368.db2.gz RZLKVQWKSRFCFM-KSZLIROESA-N 2 0 371.489 0.332 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1cnn(C)c1 ZINC001086979688 1204877750 /nfs/dbraw/zinc/87/77/50/1204877750.db2.gz MVQLYQZLUWIJPY-DOTOQJQBSA-N 2 0 359.478 0.396 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087003048 1204890900 /nfs/dbraw/zinc/89/09/00/1204890900.db2.gz BDJJTJAUFZLSBP-RYQLBKOJSA-N 2 0 363.506 0.417 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087034920 1204909546 /nfs/dbraw/zinc/90/95/46/1204909546.db2.gz DBCRPSHRSJQVIF-KBAYOESNSA-N 2 0 363.506 0.950 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087034971 1204909701 /nfs/dbraw/zinc/90/97/01/1204909701.db2.gz GGCXUPJMEZXDRI-IXDOHACOSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087035403 1204911308 /nfs/dbraw/zinc/91/13/08/1204911308.db2.gz ZQDLZCJGYXMZBQ-KBAYOESNSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087035108 1204911551 /nfs/dbraw/zinc/91/15/51/1204911551.db2.gz MCBNWSIFHIBCDK-HYVNUMGLSA-N 2 0 364.494 0.345 20 0 FCADRP CC(C)CC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OC(C)(C)C ZINC001220400508 1224859916 /nfs/dbraw/zinc/85/99/16/1224859916.db2.gz FREWTRFVAWIJMR-CVEARBPZSA-N 2 0 370.538 1.000 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]CC1CC1 ZINC001087054883 1204936018 /nfs/dbraw/zinc/93/60/18/1204936018.db2.gz IRMOHRUKFBSNPL-SJLPKXTDSA-N 2 0 363.506 0.921 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087059789 1204943870 /nfs/dbraw/zinc/94/38/70/1204943870.db2.gz VNANBUBWSOLSNI-GDBMZVCRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083380 1204970283 /nfs/dbraw/zinc/97/02/83/1204970283.db2.gz BOCSEDAKLGYRNZ-FVQBIDKESA-N 2 0 364.494 0.551 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083350 1204971447 /nfs/dbraw/zinc/97/14/47/1204971447.db2.gz AOIZNNBOIUDDDD-BFYDXBDKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087081040 1204993526 /nfs/dbraw/zinc/99/35/26/1204993526.db2.gz SBMRDNFACTYMCO-KBAYOESNSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087100986 1204998336 /nfs/dbraw/zinc/99/83/36/1204998336.db2.gz OCFTXRDVFZBWPO-ZMSDIMECSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087096567 1205004657 /nfs/dbraw/zinc/00/46/57/1205004657.db2.gz RVSLKZVDPKYPIW-BZUAXINKSA-N 2 0 364.494 0.110 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786293 1205012032 /nfs/dbraw/zinc/01/20/32/1205012032.db2.gz ABDOSMFPQGEAJM-SYNHAJSKSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001092157597 1205174372 /nfs/dbraw/zinc/17/43/72/1205174372.db2.gz GENIJPUQCBPGSX-XLIONFOSSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203150 1205197741 /nfs/dbraw/zinc/19/77/41/1205197741.db2.gz FVUDSVUYGJLXIG-CLCXKQKWSA-N 2 0 360.502 0.530 20 0 FCADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092203651 1205197783 /nfs/dbraw/zinc/19/77/83/1205197783.db2.gz URSHHUYOAUHXHG-GJYPPUQNSA-N 2 0 370.501 0.642 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275470 1205221809 /nfs/dbraw/zinc/22/18/09/1205221809.db2.gz DRNRYQXGGOIHJH-MJGOQNOKSA-N 2 0 360.506 0.771 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092274770 1205222101 /nfs/dbraw/zinc/22/21/01/1205222101.db2.gz LWAAQFRGNBVQIU-QKLQHJQFSA-N 2 0 362.518 0.779 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)CNCCC[NH3+])nc3ccc(C)cc3n12 ZINC001220458256 1224879062 /nfs/dbraw/zinc/87/90/62/1224879062.db2.gz LNEFGOCXBBXLQT-UHFFFAOYSA-N 2 0 369.473 0.729 20 0 FCADRP NC(=[NH2+])N(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001220460805 1224881042 /nfs/dbraw/zinc/88/10/42/1224881042.db2.gz ZIKVVCHIWDBVRQ-AWEZNQCLSA-N 3 0 362.478 0.596 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC[NH+]1C ZINC001092620644 1205329903 /nfs/dbraw/zinc/32/99/03/1205329903.db2.gz TUTDNOHTQZTZMO-JOCBIADPSA-N 2 0 360.502 0.910 20 0 FCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC001220499720 1224892796 /nfs/dbraw/zinc/89/27/96/1224892796.db2.gz BQNFBJYGXWHBRJ-RZQQEMMASA-N 2 0 350.422 0.912 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C3(N)CC[NH2+]CC3)cc2)CC1 ZINC001220515982 1224899879 /nfs/dbraw/zinc/89/98/79/1224899879.db2.gz NOKKZWQIUXCQLH-QQFBHYJXSA-N 2 0 373.501 0.790 20 0 FCADRP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519533 1224901568 /nfs/dbraw/zinc/90/15/68/1224901568.db2.gz RDQJEQSJNJLYDB-KRWDZBQOSA-N 2 0 367.490 0.842 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)CC[NH2+]C1 ZINC001220523495 1224905011 /nfs/dbraw/zinc/90/50/11/1224905011.db2.gz PNAGJUXQEXYBHK-OAHLLOKOSA-N 2 0 367.446 0.174 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001220521827 1224905369 /nfs/dbraw/zinc/90/53/69/1224905369.db2.gz QCNQSWXFXNVGKC-UHFFFAOYSA-N 2 0 372.469 0.921 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533901 1224910833 /nfs/dbraw/zinc/91/08/33/1224910833.db2.gz TTWRSNQWVHWIOH-PMACEKPBSA-N 2 0 370.497 0.842 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918716 1205944770 /nfs/dbraw/zinc/94/47/70/1205944770.db2.gz NCRLTQPZQZIFLP-BMFZPTHFSA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093285679 1206072623 /nfs/dbraw/zinc/07/26/23/1206072623.db2.gz SJIPPRNANSKXOK-BMFZPTHFSA-N 2 0 364.490 0.208 20 0 FCADRP CC(C)[C@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465437 1206084717 /nfs/dbraw/zinc/08/47/17/1206084717.db2.gz HXDLYFFIQMWRSP-HNBVOPMISA-N 2 0 367.534 0.677 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001093780908 1206115032 /nfs/dbraw/zinc/11/50/32/1206115032.db2.gz KJETYDTYLHUEID-KBUPBQIOSA-N 2 0 365.478 0.740 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n1C ZINC001093780186 1206115056 /nfs/dbraw/zinc/11/50/56/1206115056.db2.gz WNFZMCUQJLKWHG-KLHDSHLOSA-N 2 0 362.522 0.902 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093820228 1206123561 /nfs/dbraw/zinc/12/35/61/1206123561.db2.gz HKQOXTLISGDLAV-IXDOHACOSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093894660 1206152873 /nfs/dbraw/zinc/15/28/73/1206152873.db2.gz PZYVULRJFLJPFT-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1C ZINC001094010453 1206169785 /nfs/dbraw/zinc/16/97/85/1206169785.db2.gz BLOLGBCMBWMVLQ-GDBMZVCRSA-N 2 0 362.522 0.903 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094010527 1206169989 /nfs/dbraw/zinc/16/99/89/1206169989.db2.gz FZDAVROJCVOUES-GDBMZVCRSA-N 2 0 366.485 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094041008 1206174411 /nfs/dbraw/zinc/17/44/11/1206174411.db2.gz STUHJOXWQZLBIU-QLFBSQMISA-N 2 0 364.494 0.804 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001094041202 1206174437 /nfs/dbraw/zinc/17/44/37/1206174437.db2.gz ZWMDTZHPWQUFHM-RBSFLKMASA-N 2 0 361.494 0.676 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)C1 ZINC001094042431 1206174521 /nfs/dbraw/zinc/17/45/21/1206174521.db2.gz URULYIPJFDSWEC-RRFJBIMHSA-N 2 0 364.494 0.662 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)c1nnnn1C ZINC001094043899 1206174892 /nfs/dbraw/zinc/17/48/92/1206174892.db2.gz BRJBTELOZRYOGH-QLFBSQMISA-N 2 0 363.510 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094169916 1206198372 /nfs/dbraw/zinc/19/83/72/1206198372.db2.gz CAXIKJIOKZHVJC-ZIAGYGMSSA-N 2 0 357.462 0.774 20 0 FCADRP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001094169796 1206198393 /nfs/dbraw/zinc/19/83/93/1206198393.db2.gz VZFSHPXHVBNTKV-GDBMZVCRSA-N 2 0 360.506 0.886 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094170171 1206198475 /nfs/dbraw/zinc/19/84/75/1206198475.db2.gz QOXJGILDHOYSKX-CHWSQXEVSA-N 2 0 358.450 0.169 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094220796 1206203219 /nfs/dbraw/zinc/20/32/19/1206203219.db2.gz WBUBLQJGSAEICJ-FVQBIDKESA-N 2 0 360.506 0.828 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001094220857 1206203485 /nfs/dbraw/zinc/20/34/85/1206203485.db2.gz ZLXXLNNWNYPKMZ-RBSFLKMASA-N 2 0 365.478 0.394 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094237980 1206209329 /nfs/dbraw/zinc/20/93/29/1206209329.db2.gz UIEWMBBNEJMZQK-RHSMWYFYSA-N 2 0 371.489 0.770 20 0 FCADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220565149 1224935688 /nfs/dbraw/zinc/93/56/88/1224935688.db2.gz KFDYJODGFCZIRJ-HOTGVXAUSA-N 2 0 360.458 0.546 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015365 1206254845 /nfs/dbraw/zinc/25/48/45/1206254845.db2.gz PKKYVXPAFFSMID-SFHVURJKSA-N 2 0 372.513 0.964 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CC1=O ZINC001172039705 1206255184 /nfs/dbraw/zinc/25/51/84/1206255184.db2.gz RLCPAZNNZFLIMB-KRWDZBQOSA-N 2 0 360.502 0.821 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169134 1206258193 /nfs/dbraw/zinc/25/81/93/1206258193.db2.gz DLSTWLXFEKGDEO-QZTJIDSGSA-N 2 0 372.513 0.964 20 0 FCADRP COCCC[NH+]1CCC([NH2+]C2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001172245040 1206260778 /nfs/dbraw/zinc/26/07/78/1206260778.db2.gz OGYOMTJNSSFSIV-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173745942 1206287516 /nfs/dbraw/zinc/28/75/16/1206287516.db2.gz WSILSWICUURIEQ-IAGOWNOFSA-N 2 0 370.498 0.535 20 0 FCADRP CC(=O)NCCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522240 1206358672 /nfs/dbraw/zinc/35/86/72/1206358672.db2.gz JICUELWLKXQCSJ-SJLPKXTDSA-N 2 0 370.538 0.746 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178521807 1206358775 /nfs/dbraw/zinc/35/87/75/1206358775.db2.gz FHUSRBKRZYHEDY-RBSFLKMASA-N 2 0 369.510 0.437 20 0 FCADRP O[C@H](C[NH+]1CCC[C@@H](C2OCCO2)C1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000773749392 1206359622 /nfs/dbraw/zinc/35/96/22/1206359622.db2.gz VPBXSRXWADWLDQ-BJWYYQGGSA-N 2 0 370.490 0.517 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@H](O)C1 ZINC001179063210 1206371963 /nfs/dbraw/zinc/37/19/63/1206371963.db2.gz JTLOJFZKOJQHNM-SJKOYZFVSA-N 2 0 371.482 0.455 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@H](O)C1 ZINC001179063208 1206372221 /nfs/dbraw/zinc/37/22/21/1206372221.db2.gz JTLOJFZKOJQHNM-PXAZEXFGSA-N 2 0 371.482 0.455 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@@H](O)C1 ZINC001179063211 1206372231 /nfs/dbraw/zinc/37/22/31/1206372231.db2.gz JTLOJFZKOJQHNM-YVEFUNNKSA-N 2 0 371.482 0.455 20 0 FCADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])O2 ZINC001179138756 1206375610 /nfs/dbraw/zinc/37/56/10/1206375610.db2.gz KSBIIZBWVZIAMN-GFCCVEGCSA-N 2 0 369.466 0.616 20 0 FCADRP C[C@@H](C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)N1CCCC1 ZINC001180576743 1206395795 /nfs/dbraw/zinc/39/57/95/1206395795.db2.gz ACJLKYOKNAPSRM-LUKYLMHMSA-N 2 0 359.474 0.918 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001180613928 1206396511 /nfs/dbraw/zinc/39/65/11/1206396511.db2.gz XTSLSDYTUGXXQR-UHFFFAOYSA-N 2 0 359.474 0.754 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N2CCN(CCc3ccccn3)CC2)CC1 ZINC001180608870 1206396703 /nfs/dbraw/zinc/39/67/03/1206396703.db2.gz KWFFEEPQNSMXDK-UHFFFAOYSA-N 2 0 373.501 0.356 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001182035099 1206419120 /nfs/dbraw/zinc/41/91/20/1206419120.db2.gz YNNSVHQERPJVAQ-UHFFFAOYSA-N 2 0 358.442 0.299 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001182654316 1206441485 /nfs/dbraw/zinc/44/14/85/1206441485.db2.gz KPQKXSLJGMJDFA-DJIMGWMZSA-N 2 0 371.485 0.623 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)CC2)C1=O ZINC001183401096 1206452601 /nfs/dbraw/zinc/45/26/01/1206452601.db2.gz SAUCCNUWDNIVGU-MAUKXSAKSA-N 2 0 371.485 0.719 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001185253608 1206477354 /nfs/dbraw/zinc/47/73/54/1206477354.db2.gz XDLQTZMZAJQZSM-QGZVFWFLSA-N 2 0 360.506 0.109 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273510401 1206487245 /nfs/dbraw/zinc/48/72/45/1206487245.db2.gz GCXHQAHMHQLOMR-VSZNYVQBSA-N 2 0 360.502 0.624 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001186354162 1206496095 /nfs/dbraw/zinc/49/60/95/1206496095.db2.gz YMWCYEWEDZOTOO-QFBILLFUSA-N 2 0 366.506 0.015 20 0 FCADRP [NH3+]CCN(CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N(O)N=O ZINC001186945017 1206510178 /nfs/dbraw/zinc/51/01/78/1206510178.db2.gz JXCGDLUQEDQXHL-UHFFFAOYSA-N 2 0 364.450 0.951 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001220624191 1224975105 /nfs/dbraw/zinc/97/51/05/1224975105.db2.gz HLHSRAGSVOXXCH-HUUCEWRRSA-N 2 0 374.407 0.605 20 0 FCADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001220642843 1224981694 /nfs/dbraw/zinc/98/16/94/1224981694.db2.gz LIXHASQOTIWTLO-MOPGFXCFSA-N 2 0 361.486 0.767 20 0 FCADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220656237 1224994875 /nfs/dbraw/zinc/99/48/75/1224994875.db2.gz RGTXXQYGWPSPRS-SFHVURJKSA-N 2 0 353.470 0.985 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212018 1207434922 /nfs/dbraw/zinc/43/49/22/1207434922.db2.gz AGPQBJGYTMEFGP-CGTJXYLNSA-N 2 0 369.506 0.027 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035287 1207497770 /nfs/dbraw/zinc/49/77/70/1207497770.db2.gz ULJSIVJEZOUSRZ-IPMKNSEASA-N 2 0 367.534 0.894 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 ZINC001189433579 1207549570 /nfs/dbraw/zinc/54/95/70/1207549570.db2.gz QOMLLAQAETXZPU-DOTOQJQBSA-N 2 0 357.462 0.833 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189477142 1207553361 /nfs/dbraw/zinc/55/33/61/1207553361.db2.gz DUQDCULGLMHSEL-YESZJQIVSA-N 2 0 366.506 0.108 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001189786168 1207599712 /nfs/dbraw/zinc/59/97/12/1207599712.db2.gz ABVNERSAGQGNKJ-GOEBONIOSA-N 2 0 362.478 0.203 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189820044 1207605176 /nfs/dbraw/zinc/60/51/76/1207605176.db2.gz LQVWFEMQBIBWBS-RCCFBDPRSA-N 2 0 369.506 0.293 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801310 1207610860 /nfs/dbraw/zinc/61/08/60/1207610860.db2.gz CRHLWMGWPPYXIL-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317202 1207673089 /nfs/dbraw/zinc/67/30/89/1207673089.db2.gz FIJFGBSFPOCHES-GBESFXJTSA-N 2 0 361.486 0.902 20 0 FCADRP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220687048 1225013547 /nfs/dbraw/zinc/01/35/47/1225013547.db2.gz CWYSQZSMTKCDIG-SJORKVTESA-N 2 0 356.470 0.350 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690150 1225018435 /nfs/dbraw/zinc/01/84/35/1225018435.db2.gz RXBJRDIENJLNCT-VQIMIIECSA-N 2 0 358.486 0.868 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(CCOC[C@H]3CCCCO3)C[C@H]2O)CCC1 ZINC001193773850 1207887733 /nfs/dbraw/zinc/88/77/33/1207887733.db2.gz FAIRFVDOAFQKNW-BRWVUGGUSA-N 2 0 369.506 0.218 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001273666967 1207896672 /nfs/dbraw/zinc/89/66/72/1207896672.db2.gz YAKUPSALTAWRKM-UHFFFAOYSA-N 2 0 361.490 0.675 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194281986 1207932537 /nfs/dbraw/zinc/93/25/37/1207932537.db2.gz BRINJNGCZUEZAB-QZTJIDSGSA-N 2 0 364.490 0.886 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289819 1207934149 /nfs/dbraw/zinc/93/41/49/1207934149.db2.gz PAJFCDNDHRLHDM-KBAYOESNSA-N 2 0 362.474 0.496 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289817 1207934469 /nfs/dbraw/zinc/93/44/69/1207934469.db2.gz PAJFCDNDHRLHDM-CGTJXYLNSA-N 2 0 362.474 0.496 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194962143 1207984656 /nfs/dbraw/zinc/98/46/56/1207984656.db2.gz VDAFWBFYMJDRFJ-KFKAGJAMSA-N 2 0 363.502 0.727 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](CC)CC ZINC001196114923 1208058595 /nfs/dbraw/zinc/05/85/95/1208058595.db2.gz HDWXYSZHKCGGPS-IXDOHACOSA-N 2 0 364.490 0.167 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294497 1208153724 /nfs/dbraw/zinc/15/37/24/1208153724.db2.gz AAMLFWJCXXBDAA-DJIMGWMZSA-N 2 0 369.473 0.768 20 0 FCADRP C[N@@H+]1CCCN(Cc2cccc(C(=O)n3cnc(C[NH3+])cc3=N)c2)CC1 ZINC001197510776 1208169167 /nfs/dbraw/zinc/16/91/67/1208169167.db2.gz XJLFZDMAUXSSCE-UHFFFAOYSA-N 2 0 354.458 0.647 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535689 1208170679 /nfs/dbraw/zinc/17/06/79/1208170679.db2.gz BBFJGUPEUDDTDL-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001197536640 1208171812 /nfs/dbraw/zinc/17/18/12/1208171812.db2.gz XVCGIDSFERUNEQ-RTBURBONSA-N 2 0 361.486 0.762 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001197826492 1208201740 /nfs/dbraw/zinc/20/17/40/1208201740.db2.gz ZRCCJPBREPPDFM-QZTJIDSGSA-N 2 0 371.522 0.465 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001197825705 1208201808 /nfs/dbraw/zinc/20/18/08/1208201808.db2.gz GPWCCCDICLFRRI-QZTJIDSGSA-N 2 0 360.458 0.407 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000104533066 1208264230 /nfs/dbraw/zinc/26/42/30/1208264230.db2.gz ZCGAJLMTHLNTQX-KRWDZBQOSA-N 2 0 374.489 0.058 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129153 1208320422 /nfs/dbraw/zinc/32/04/22/1208320422.db2.gz YXYJZBFUNPNFGT-KZNAEPCWSA-N 2 0 363.506 0.244 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001220768570 1225062292 /nfs/dbraw/zinc/06/22/92/1225062292.db2.gz RQASUNODFBZQOF-MOPGFXCFSA-N 2 0 361.486 0.804 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)CC1 ZINC001273847423 1208425716 /nfs/dbraw/zinc/42/57/16/1208425716.db2.gz GHZOAJZTMBBEBZ-UHFFFAOYSA-N 2 0 360.506 0.470 20 0 FCADRP CCC(CC)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201230900 1208449275 /nfs/dbraw/zinc/44/92/75/1208449275.db2.gz YBDXKGFRXHGEAK-RHSMWYFYSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001489037899 1208615620 /nfs/dbraw/zinc/61/56/20/1208615620.db2.gz VTZPJPUBONHOOY-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H](O)CCN2Cc2ccccc2)C[NH2+]C1 ZINC001220827594 1225092844 /nfs/dbraw/zinc/09/28/44/1225092844.db2.gz UPZDRGWTRNCNAW-DLBZAZTESA-N 2 0 359.426 0.158 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001489527250 1208882023 /nfs/dbraw/zinc/88/20/23/1208882023.db2.gz ZDQSBJGWLBTICK-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001489545072 1208906408 /nfs/dbraw/zinc/90/64/08/1208906408.db2.gz DCZSRTQGOGGWNO-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220851489 1225107730 /nfs/dbraw/zinc/10/77/30/1225107730.db2.gz XVUWUTWNTKJDMV-OAHLLOKOSA-N 2 0 357.454 0.816 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001220855421 1225109262 /nfs/dbraw/zinc/10/92/62/1225109262.db2.gz XRMDZWCSOBQUSI-OXQOHEQNSA-N 2 0 350.422 0.871 20 0 FCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220859921 1225111801 /nfs/dbraw/zinc/11/18/01/1225111801.db2.gz SNJPFLZKNWHMIR-ULQDDVLXSA-N 2 0 360.502 0.956 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220913559 1225137149 /nfs/dbraw/zinc/13/71/49/1225137149.db2.gz VMTGHYPMNIMETN-KRWDZBQOSA-N 3 0 362.474 0.620 20 0 FCADRP O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220920621 1225141315 /nfs/dbraw/zinc/14/13/15/1225141315.db2.gz HDFSJQSKVXYSBD-BIENJYKASA-N 2 0 360.433 0.356 20 0 FCADRP CC(CN1CC[C@H](N2CCOC2=O)C1)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437565 1209549853 /nfs/dbraw/zinc/54/98/53/1209549853.db2.gz YXANDDQXPSAZAD-HOTGVXAUSA-N 2 0 366.462 0.676 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928140 1225145678 /nfs/dbraw/zinc/14/56/78/1225145678.db2.gz HEWBFFVQNNOKJX-KRWDZBQOSA-N 2 0 361.490 0.896 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937323 1225148466 /nfs/dbraw/zinc/14/84/66/1225148466.db2.gz OWEBQKZPQJLLIE-KURKYZTESA-N 2 0 374.485 0.042 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CCC1 ZINC001110664938 1209591540 /nfs/dbraw/zinc/59/15/40/1209591540.db2.gz FODKPYUSGMADSJ-VQHPVUNQSA-N 2 0 361.490 0.450 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NCCO[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001220939540 1225149775 /nfs/dbraw/zinc/14/97/75/1225149775.db2.gz OBKLUUOVKFMIMA-KRWDZBQOSA-N 2 0 360.458 0.358 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001220938884 1225149794 /nfs/dbraw/zinc/14/97/94/1225149794.db2.gz CXCDAPZMHLPUPC-QGZVFWFLSA-N 2 0 360.458 0.277 20 0 FCADRP COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673933 1209608768 /nfs/dbraw/zinc/60/87/68/1209608768.db2.gz ZLEOIZZUZUEICA-ZACQAIPSSA-N 2 0 366.506 0.345 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cncn3C1)C2 ZINC001110740859 1209777763 /nfs/dbraw/zinc/77/77/63/1209777763.db2.gz HBJLGTWQHKFLGJ-AHCXZYCDSA-N 2 0 362.474 0.830 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971200 1225165973 /nfs/dbraw/zinc/16/59/73/1225165973.db2.gz XJYMTLFGPYYGRR-INIZCTEOSA-N 3 0 361.490 0.079 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000863754464 1209950398 /nfs/dbraw/zinc/95/03/98/1209950398.db2.gz SMRQRNHZZLBHEA-KRWDZBQOSA-N 2 0 360.502 0.959 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000864884341 1209967042 /nfs/dbraw/zinc/96/70/42/1209967042.db2.gz JASHNKNZOWUTOB-KFESYUHLSA-N 2 0 366.481 0.811 20 0 FCADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000865605131 1209981685 /nfs/dbraw/zinc/98/16/85/1209981685.db2.gz NCNBEBOXOLLBRS-HOTGVXAUSA-N 2 0 366.481 0.526 20 0 FCADRP COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714731 1210005093 /nfs/dbraw/zinc/00/50/93/1210005093.db2.gz WCZKROCBYAGUTR-UAGQMJEPSA-N 2 0 374.441 0.891 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2F)CC1 ZINC000868250593 1210047134 /nfs/dbraw/zinc/04/71/34/1210047134.db2.gz GDLNAUBZFKGMMG-UHFFFAOYSA-N 2 0 363.437 0.336 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1)C1CC[NH+](C)CC1 ZINC000868276883 1210048888 /nfs/dbraw/zinc/04/88/88/1210048888.db2.gz HKRPLDTZEWYISO-YJBOKZPZSA-N 2 0 371.485 0.728 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000868287444 1210049440 /nfs/dbraw/zinc/04/94/40/1210049440.db2.gz YVYNDACMKGJCJA-GJZGRUSLSA-N 2 0 359.474 0.715 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)CC1 ZINC001221007085 1225183060 /nfs/dbraw/zinc/18/30/60/1225183060.db2.gz VDPOTJKRCCMGNC-FPCVCCKLSA-N 2 0 368.522 0.637 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1)[NH+](C)C ZINC000871461177 1210155996 /nfs/dbraw/zinc/15/59/96/1210155996.db2.gz GVFZFWXYYBDTNP-BRWVUGGUSA-N 2 0 370.538 0.502 20 0 FCADRP CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000872194680 1210177546 /nfs/dbraw/zinc/17/75/46/1210177546.db2.gz JAEAOILWUGWSKX-DLBZAZTESA-N 2 0 362.449 0.981 20 0 FCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000872300677 1210187733 /nfs/dbraw/zinc/18/77/33/1210187733.db2.gz ZPABKXDDHCJZCG-VVLHAWIVSA-N 2 0 363.506 0.641 20 0 FCADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000873248526 1210239461 /nfs/dbraw/zinc/23/94/61/1210239461.db2.gz FYRFYICAWREOJZ-KZNAEPCWSA-N 2 0 372.469 0.985 20 0 FCADRP C(CN1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000873290422 1210240395 /nfs/dbraw/zinc/24/03/95/1210240395.db2.gz DJKHTLDGIMKWRF-LJQANCHMSA-N 2 0 366.550 0.531 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000875334014 1210365982 /nfs/dbraw/zinc/36/59/82/1210365982.db2.gz JFGNOEQQZSSJJQ-RDJZCZTQSA-N 2 0 368.522 0.448 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001221073213 1225209943 /nfs/dbraw/zinc/20/99/43/1225209943.db2.gz LFEBUAQIYXDUAT-MSOLQXFVSA-N 2 0 363.506 0.537 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000876773465 1210429093 /nfs/dbraw/zinc/42/90/93/1210429093.db2.gz RJRBVVGUBAALDI-DLBZAZTESA-N 2 0 361.490 0.910 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783956 1210430760 /nfs/dbraw/zinc/43/07/60/1210430760.db2.gz RVEBEYNRJDOVNU-ZWKOTPCHSA-N 2 0 374.533 0.968 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)CC1 ZINC000877237961 1210441010 /nfs/dbraw/zinc/44/10/10/1210441010.db2.gz QVRDEXJDXXGSKH-RBUKOAKNSA-N 2 0 360.502 0.976 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877329877 1210442755 /nfs/dbraw/zinc/44/27/55/1210442755.db2.gz YYFPXDUYVUNUEG-LSDHHAIUSA-N 2 0 362.478 0.481 20 0 FCADRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)CC2 ZINC000879251225 1210475756 /nfs/dbraw/zinc/47/57/56/1210475756.db2.gz QWKVEHYSSZDVQR-UHFFFAOYSA-N 2 0 372.517 0.933 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)CC2)CC1 ZINC000879673839 1210493207 /nfs/dbraw/zinc/49/32/07/1210493207.db2.gz PVGIJPSSLVPDRJ-UHFFFAOYSA-N 2 0 363.510 0.688 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)cc2)CC1 ZINC000879996636 1210509776 /nfs/dbraw/zinc/50/97/76/1210509776.db2.gz KIQVMGBQLVCIDV-LJQANCHMSA-N 2 0 360.502 0.621 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)c1 ZINC001221092016 1225219659 /nfs/dbraw/zinc/21/96/59/1225219659.db2.gz LEHUQVZIMWWZGH-KRWDZBQOSA-N 2 0 374.485 0.811 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093859 1225220150 /nfs/dbraw/zinc/22/01/50/1225220150.db2.gz ZZNWGPONNHFYMM-OTWHNJEPSA-N 2 0 363.502 0.482 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]3C[NH2+]C[C@H]3OC(C)=O)CC[NH2+]CC2)c1 ZINC001221096471 1225221983 /nfs/dbraw/zinc/22/19/83/1225221983.db2.gz VMAHTGGUXIOGJH-IAGOWNOFSA-N 2 0 361.442 0.541 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001221116361 1225228473 /nfs/dbraw/zinc/22/84/73/1225228473.db2.gz XKXFVROBPIHEKK-SFHVURJKSA-N 2 0 371.529 0.893 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000883251142 1210660351 /nfs/dbraw/zinc/66/03/51/1210660351.db2.gz DOLHGPMVJGBUAM-GOSISDBHSA-N 3 0 360.506 0.987 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883346652 1210663129 /nfs/dbraw/zinc/66/31/29/1210663129.db2.gz DTKCEXSSCIGSFI-WMZOPIPTSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)CN1CCOCC1 ZINC000883441658 1210666822 /nfs/dbraw/zinc/66/68/22/1210666822.db2.gz UXWZSCJRBWEUGL-AEFFLSMTSA-N 2 0 368.522 0.897 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000883457999 1210669085 /nfs/dbraw/zinc/66/90/85/1210669085.db2.gz UJERAEPGJXGZIG-HOTGVXAUSA-N 2 0 365.522 0.985 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000883604645 1210673848 /nfs/dbraw/zinc/67/38/48/1210673848.db2.gz BMMCECOVLFJLJI-WBVHZDCISA-N 2 0 357.458 0.388 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611510 1210674935 /nfs/dbraw/zinc/67/49/35/1210674935.db2.gz AJBNIYOPUTYXQC-PBHICJAKSA-N 2 0 359.474 0.715 20 0 FCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883609990 1210674955 /nfs/dbraw/zinc/67/49/55/1210674955.db2.gz JYMDNGJOWYMZGN-QGTPRVQTSA-N 2 0 371.485 0.858 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611732 1210674979 /nfs/dbraw/zinc/67/49/79/1210674979.db2.gz HTJORRKZYHADKG-VKJFTORMSA-N 2 0 371.485 0.858 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883612132 1210675158 /nfs/dbraw/zinc/67/51/58/1210675158.db2.gz SYCXBTUFRQTSES-JCGIZDLHSA-N 2 0 371.485 0.776 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883611554 1210675199 /nfs/dbraw/zinc/67/51/99/1210675199.db2.gz BNYXOAXKITUUKX-MPGHIAIKSA-N 2 0 371.485 0.763 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611512 1210675317 /nfs/dbraw/zinc/67/53/17/1210675317.db2.gz AJBNIYOPUTYXQC-WMLDXEAASA-N 2 0 359.474 0.715 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611948 1210675326 /nfs/dbraw/zinc/67/53/26/1210675326.db2.gz OKYQNMKGJXHKSB-KRWDZBQOSA-N 2 0 359.474 0.717 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883638922 1210677034 /nfs/dbraw/zinc/67/70/34/1210677034.db2.gz ADKLFWVKCGABEE-HLLBOEOZSA-N 2 0 359.474 0.847 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883639735 1210677776 /nfs/dbraw/zinc/67/77/76/1210677776.db2.gz XHMVYQDXMBAISR-CYGHRXIMSA-N 2 0 371.485 0.705 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883640000 1210677936 /nfs/dbraw/zinc/67/79/36/1210677936.db2.gz DUJOWILQQODJRX-JKSUJKDBSA-N 2 0 359.474 0.577 20 0 FCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884422984 1210734603 /nfs/dbraw/zinc/73/46/03/1210734603.db2.gz KIUZYAJPNXFSEG-CABCVRRESA-N 2 0 360.506 0.771 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884463575 1210736382 /nfs/dbraw/zinc/73/63/82/1210736382.db2.gz LHQPBJJJFRVKBT-UHFFFAOYSA-N 2 0 367.457 0.548 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884486032 1210737906 /nfs/dbraw/zinc/73/79/06/1210737906.db2.gz MOACIZOOXTYVLZ-IAGOWNOFSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000884486177 1210738037 /nfs/dbraw/zinc/73/80/37/1210738037.db2.gz PZDODPCWUIKJBF-GDBMZVCRSA-N 2 0 362.474 0.296 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884503565 1210740267 /nfs/dbraw/zinc/74/02/67/1210740267.db2.gz NZLWICIRTKZOCL-GBESFXJTSA-N 2 0 370.497 0.630 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884509402 1210742025 /nfs/dbraw/zinc/74/20/25/1210742025.db2.gz FLIJUDRGHBJLCH-BFYDXBDKSA-N 2 0 373.501 0.776 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884513625 1210742352 /nfs/dbraw/zinc/74/23/52/1210742352.db2.gz NFWXZUDNTDTIES-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884516604 1210742806 /nfs/dbraw/zinc/74/28/06/1210742806.db2.gz ONAJUONRIGYHMK-INIZCTEOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000884516825 1210743052 /nfs/dbraw/zinc/74/30/52/1210743052.db2.gz VKVLNOVXFYPQSZ-SJLPKXTDSA-N 2 0 372.513 0.863 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884514067 1210743155 /nfs/dbraw/zinc/74/31/55/1210743155.db2.gz YVRPWQBMXRNTMH-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000884517183 1210743188 /nfs/dbraw/zinc/74/31/88/1210743188.db2.gz GWIKLZAIDFEMHE-MGPUTAFESA-N 2 0 371.485 0.230 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000884518702 1210743802 /nfs/dbraw/zinc/74/38/02/1210743802.db2.gz XLIMKBMHCMUFKY-IYBDPMFKSA-N 2 0 360.458 0.206 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000884518340 1210743903 /nfs/dbraw/zinc/74/39/03/1210743903.db2.gz MQAFMXZOKQRNIU-OXJNMPFZSA-N 2 0 374.485 0.311 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000884517907 1210744060 /nfs/dbraw/zinc/74/40/60/1210744060.db2.gz ZAKOERXPZABDMH-KRWDZBQOSA-N 2 0 359.474 0.373 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884532730 1210745505 /nfs/dbraw/zinc/74/55/05/1210745505.db2.gz PBVIWWKIPDCNRY-FZCLSBEQSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000884553852 1210748876 /nfs/dbraw/zinc/74/88/76/1210748876.db2.gz IRJAGCGQCSCSFX-CJNGLKHVSA-N 2 0 356.470 0.690 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000884553612 1210748991 /nfs/dbraw/zinc/74/89/91/1210748991.db2.gz CQIBPKSHKGAIFW-PVAVHDDUSA-N 2 0 358.486 0.804 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554230 1210749181 /nfs/dbraw/zinc/74/91/81/1210749181.db2.gz PJHVNFAOPMMSGK-FZKQIMNGSA-N 2 0 356.470 0.547 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000884559683 1210750741 /nfs/dbraw/zinc/75/07/41/1210750741.db2.gz BJFDCLFJLZSKSN-KURKYZTESA-N 2 0 374.485 0.042 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000884560173 1210751961 /nfs/dbraw/zinc/75/19/61/1210751961.db2.gz PDAGDAFRAKDVIP-YOEHRIQHSA-N 2 0 358.486 0.888 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884597461 1210758398 /nfs/dbraw/zinc/75/83/98/1210758398.db2.gz BJUPWUDMGSEASD-MRXNPFEDSA-N 2 0 367.538 0.025 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884597901 1210759112 /nfs/dbraw/zinc/75/91/12/1210759112.db2.gz NQPMBEIBXCOEFF-KRWDZBQOSA-N 2 0 367.538 0.250 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884601557 1210759849 /nfs/dbraw/zinc/75/98/49/1210759849.db2.gz PJJOUSZPDPFABN-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601917 1210760126 /nfs/dbraw/zinc/76/01/26/1210760126.db2.gz YWSZYOVQYZHLKN-OKZBNKHCSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884601466 1210760185 /nfs/dbraw/zinc/76/01/85/1210760185.db2.gz MBSGKXFBZWSVFP-BPQIPLTHSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000884608239 1210762035 /nfs/dbraw/zinc/76/20/35/1210762035.db2.gz NIRSOOBJSWPIPG-LVCYWYKZSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000884618620 1210763749 /nfs/dbraw/zinc/76/37/49/1210763749.db2.gz JBROXLCXTXVGHK-YOEHRIQHSA-N 2 0 374.485 0.208 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000884623683 1210764786 /nfs/dbraw/zinc/76/47/86/1210764786.db2.gz LOMJATZLMCUFSU-CQSZACIVSA-N 2 0 356.470 0.715 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884627368 1210766186 /nfs/dbraw/zinc/76/61/86/1210766186.db2.gz NDCDJJJBASUQHV-RHSMWYFYSA-N 2 0 356.470 0.418 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000884629842 1210766545 /nfs/dbraw/zinc/76/65/45/1210766545.db2.gz FUPXKYFDCAGKAE-BGTYHANMSA-N 2 0 356.470 0.728 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000884632418 1210768524 /nfs/dbraw/zinc/76/85/24/1210768524.db2.gz LFYWGTMVAHEWHE-OXJNMPFZSA-N 2 0 371.485 0.482 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884639688 1210769274 /nfs/dbraw/zinc/76/92/74/1210769274.db2.gz GVQXDSSRWUFQHH-JKSUJKDBSA-N 2 0 364.490 0.101 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000884641067 1210770855 /nfs/dbraw/zinc/77/08/55/1210770855.db2.gz ZFJMLMJSCKNDSD-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884660099 1210774382 /nfs/dbraw/zinc/77/43/82/1210774382.db2.gz LHYFVIUZDRFZCQ-OKZBNKHCSA-N 2 0 356.470 0.586 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669794 1210775516 /nfs/dbraw/zinc/77/55/16/1210775516.db2.gz HAPREJGXKATXAT-XHSDSOJGSA-N 2 0 364.490 0.004 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000884675479 1210776691 /nfs/dbraw/zinc/77/66/91/1210776691.db2.gz FHWZRRJIKDQCRB-GOSISDBHSA-N 2 0 374.485 0.180 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000884674898 1210776920 /nfs/dbraw/zinc/77/69/20/1210776920.db2.gz LJLJYDUTAHJLIS-KRWDZBQOSA-N 2 0 355.442 0.856 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000884675730 1210777586 /nfs/dbraw/zinc/77/75/86/1210777586.db2.gz NSQWEOYVWGYMKE-QGZVFWFLSA-N 2 0 362.474 0.038 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884678654 1210778463 /nfs/dbraw/zinc/77/84/63/1210778463.db2.gz HQMIVBORZNKMGX-RCCFBDPRSA-N 2 0 356.470 0.445 20 0 FCADRP CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884677687 1210778511 /nfs/dbraw/zinc/77/85/11/1210778511.db2.gz ALWCYDWSHBUPEW-SJORKVTESA-N 2 0 362.449 0.899 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884678849 1210779497 /nfs/dbraw/zinc/77/94/97/1210779497.db2.gz NUHPNBOWFBFNCB-BBTUJRGHSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690176 1210781758 /nfs/dbraw/zinc/78/17/58/1210781758.db2.gz OZXQDMKUDKCVEQ-NVXWUHKLSA-N 2 0 358.486 0.739 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000884703476 1210784019 /nfs/dbraw/zinc/78/40/19/1210784019.db2.gz AUKZBBOSOFOQLO-NVXWUHKLSA-N 2 0 362.474 0.166 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000884706548 1210784533 /nfs/dbraw/zinc/78/45/33/1210784533.db2.gz GYRUGSVPEUMQPR-GJZGRUSLSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884728047 1210791319 /nfs/dbraw/zinc/79/13/19/1210791319.db2.gz HKCUTEUSZDGHDU-UYSNPLJNSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000884783041 1210794386 /nfs/dbraw/zinc/79/43/86/1210794386.db2.gz PDXTZALXYLNECA-KBPBESRZSA-N 2 0 372.460 0.871 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884787309 1210795754 /nfs/dbraw/zinc/79/57/54/1210795754.db2.gz NQXLBCTZSFNQLG-MRXNPFEDSA-N 2 0 364.490 0.101 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000884804772 1210796760 /nfs/dbraw/zinc/79/67/60/1210796760.db2.gz JSDDBQJOCPFNAK-ZBFHGGJFSA-N 2 0 357.458 0.520 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833036 1210800112 /nfs/dbraw/zinc/80/01/12/1210800112.db2.gz FIKFFAQDCCXLMM-TYJOOELLSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834295 1210800312 /nfs/dbraw/zinc/80/03/12/1210800312.db2.gz UYVWNNSPMWMYNR-DSLXNQLJSA-N 2 0 370.497 0.549 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884835374 1210800472 /nfs/dbraw/zinc/80/04/72/1210800472.db2.gz QHDGQYDRMWKGJX-KBAYOESNSA-N 2 0 358.486 0.678 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000884839040 1210800768 /nfs/dbraw/zinc/80/07/68/1210800768.db2.gz VPHJRTGYJYQLSQ-INIZCTEOSA-N 2 0 370.497 0.893 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884851222 1210801455 /nfs/dbraw/zinc/80/14/55/1210801455.db2.gz HAXXKQIYTAOUOL-QGZVFWFLSA-N 2 0 358.486 0.890 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850760 1210801482 /nfs/dbraw/zinc/80/14/82/1210801482.db2.gz AAWQRIMKNFALPP-IEBWSBKVSA-N 2 0 370.497 0.891 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000884875769 1210802084 /nfs/dbraw/zinc/80/20/84/1210802084.db2.gz LKZPCUKLSDFKMU-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884891828 1210803149 /nfs/dbraw/zinc/80/31/49/1210803149.db2.gz OISZQCPCURFZIH-NXHRZFHOSA-N 2 0 360.502 0.861 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000884966079 1210805632 /nfs/dbraw/zinc/80/56/32/1210805632.db2.gz BNTIUPVKDZICQN-OAHLLOKOSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983406 1210806884 /nfs/dbraw/zinc/80/68/84/1210806884.db2.gz QWIDVRPBSZTWOL-ROUUACIJSA-N 2 0 358.486 0.753 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000885004969 1210807857 /nfs/dbraw/zinc/80/78/57/1210807857.db2.gz PYFUEZMHQTXIFR-NXOAAHMSSA-N 2 0 371.485 0.766 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885144093 1210812268 /nfs/dbraw/zinc/81/22/68/1210812268.db2.gz YTTXDHMVUUUDLK-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885148477 1210812663 /nfs/dbraw/zinc/81/26/63/1210812663.db2.gz PFWDSZRSMTYIMT-INIZCTEOSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000885162337 1210814172 /nfs/dbraw/zinc/81/41/72/1210814172.db2.gz KZYXRKOWQFMLGA-ZWKOTPCHSA-N 2 0 356.470 0.514 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885163203 1210814372 /nfs/dbraw/zinc/81/43/72/1210814372.db2.gz YQINRBVBGQRONS-GOSISDBHSA-N 2 0 358.486 0.761 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)ccn2)CC1 ZINC000885865719 1210820499 /nfs/dbraw/zinc/82/04/99/1210820499.db2.gz LOENBVSTOJKKSV-GOSISDBHSA-N 2 0 373.501 0.817 20 0 FCADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000886872106 1210838193 /nfs/dbraw/zinc/83/81/93/1210838193.db2.gz JHJIJKUGJZKZOS-IBGZPJMESA-N 2 0 374.489 0.289 20 0 FCADRP O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000887081469 1210846238 /nfs/dbraw/zinc/84/62/38/1210846238.db2.gz ULHFEQLBCBYEHX-PXNSSMCTSA-N 2 0 362.518 0.923 20 0 FCADRP O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000887081468 1210846321 /nfs/dbraw/zinc/84/63/21/1210846321.db2.gz ULHFEQLBCBYEHX-FXAWDEMLSA-N 2 0 362.518 0.923 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000887091344 1210847048 /nfs/dbraw/zinc/84/70/48/1210847048.db2.gz HZNZGMCTFGFGLM-INMHGKMJSA-N 2 0 357.458 0.329 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000887091866 1210847279 /nfs/dbraw/zinc/84/72/79/1210847279.db2.gz ZIZDHBZAPYKKJH-INIZCTEOSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000887091775 1210847506 /nfs/dbraw/zinc/84/75/06/1210847506.db2.gz VVSNDTFWBPSLCJ-ZRGWGRIASA-N 2 0 357.458 0.459 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887448896 1210858462 /nfs/dbraw/zinc/85/84/62/1210858462.db2.gz JEBLXPLAZYVJLE-HKUYNNGSSA-N 2 0 358.490 0.694 20 0 FCADRP C[C@@H](C(=O)N1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1)[NH+](C)C ZINC001274157073 1210898154 /nfs/dbraw/zinc/89/81/54/1210898154.db2.gz HXAYSHYFTYMRKN-LBPRGKRZSA-N 2 0 362.478 0.069 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274178374 1210905380 /nfs/dbraw/zinc/90/53/80/1210905380.db2.gz AUANMMICUTVIBZ-APMMTJHUSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001274194113 1210907543 /nfs/dbraw/zinc/90/75/43/1210907543.db2.gz BOSVGXDSZSELPO-RZQQEMMASA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933348 1210921639 /nfs/dbraw/zinc/92/16/39/1210921639.db2.gz NHTDFPXQCRWVHH-MIALQEHNSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000889805655 1210954494 /nfs/dbraw/zinc/95/44/94/1210954494.db2.gz QVYVZHLHXOMPLF-QAPCUYQASA-N 2 0 373.501 0.976 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000889909618 1210956339 /nfs/dbraw/zinc/95/63/39/1210956339.db2.gz BXAAHKHSTTZHMC-KRWDZBQOSA-N 2 0 359.474 0.587 20 0 FCADRP CCN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000890129780 1210965492 /nfs/dbraw/zinc/96/54/92/1210965492.db2.gz DGFNBTKNDWEVDT-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890137334 1210968304 /nfs/dbraw/zinc/96/83/04/1210968304.db2.gz CMCLZKSIOHJUIW-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890141677 1210969229 /nfs/dbraw/zinc/96/92/29/1210969229.db2.gz ODCPTRHFRZQPAE-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831382 1210987017 /nfs/dbraw/zinc/98/70/17/1210987017.db2.gz XPDOFFXUHTWYSH-COXLTSFISA-N 2 0 363.502 0.998 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)CC1 ZINC001274369174 1211038473 /nfs/dbraw/zinc/03/84/73/1211038473.db2.gz CYNAHWSONURQPR-HDICACEKSA-N 2 0 360.506 0.196 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001275053574 1211172854 /nfs/dbraw/zinc/17/28/54/1211172854.db2.gz MDOUWNBPXSWZIQ-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171065 1211188112 /nfs/dbraw/zinc/18/81/12/1211188112.db2.gz CRXOOPGUDKJSQX-ICSRJNTNSA-N 2 0 364.534 0.868 20 0 FCADRP CCc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)[nH]1 ZINC001275183506 1211193034 /nfs/dbraw/zinc/19/30/34/1211193034.db2.gz UTEASABVCPCCRT-IBGZPJMESA-N 2 0 363.506 0.893 20 0 FCADRP COc1ncc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275366745 1211224353 /nfs/dbraw/zinc/22/43/53/1211224353.db2.gz XZTOJWOFWJOTOM-SFHVURJKSA-N 2 0 361.446 0.388 20 0 FCADRP Nc1ccncc1C[N@@H+]1CCCC[C@]12CC(=O)N(C[C@H]1CCC(=O)N1)C2 ZINC001275456236 1211242597 /nfs/dbraw/zinc/24/25/97/1211242597.db2.gz XGVIMTXXFJZOOW-DNVCBOLYSA-N 2 0 357.458 0.730 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCCN2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511557 1211252489 /nfs/dbraw/zinc/25/24/89/1211252489.db2.gz KDYCEZYWXUVIRU-KXBFYZLASA-N 2 0 369.506 0.829 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CCCN2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511554 1211252599 /nfs/dbraw/zinc/25/25/99/1211252599.db2.gz KDYCEZYWXUVIRU-DNVCBOLYSA-N 2 0 369.506 0.829 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275556403 1211256500 /nfs/dbraw/zinc/25/65/00/1211256500.db2.gz KESUOJDOBOYTKY-LJQANCHMSA-N 2 0 359.474 0.622 20 0 FCADRP CC1(C)OC[C@@H](CN2C[C@@]3(CC[N@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736070 1211278478 /nfs/dbraw/zinc/27/84/78/1211278478.db2.gz AAHLPYBZJUGDIQ-APWZRJJASA-N 2 0 367.490 0.441 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737819 1211279463 /nfs/dbraw/zinc/27/94/63/1211279463.db2.gz OROBBGAUTBTLTA-HNAYVOBHSA-N 2 0 367.490 0.346 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001275743741 1211280329 /nfs/dbraw/zinc/28/03/29/1211280329.db2.gz WKVUPKRMMZWNDF-HXUWFJFHSA-N 3 0 366.550 0.831 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750729 1211280671 /nfs/dbraw/zinc/28/06/71/1211280671.db2.gz PLXZNERLXDLOKD-FXAWDEMLSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789678 1211283827 /nfs/dbraw/zinc/28/38/27/1211283827.db2.gz JGAAGCDUKGUDQF-FQEVSTJZSA-N 2 0 364.534 0.585 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803946 1211286581 /nfs/dbraw/zinc/28/65/81/1211286581.db2.gz NXCIHFHXURRZBT-ICSRJNTNSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833821 1211294100 /nfs/dbraw/zinc/29/41/00/1211294100.db2.gz QKMCRAPJSKNBIK-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CCN(C[C@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878361 1211303665 /nfs/dbraw/zinc/30/36/65/1211303665.db2.gz KHPRBZSKTAHLQX-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC[N@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894962 1211307715 /nfs/dbraw/zinc/30/77/15/1211307715.db2.gz COFGCGBREAJYTA-HXUWFJFHSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4ncccc34)C2)OCC1=O ZINC001275932341 1211312058 /nfs/dbraw/zinc/31/20/58/1211312058.db2.gz CZZPDIQZLSHIBZ-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C3)CC1 ZINC001276057295 1211342754 /nfs/dbraw/zinc/34/27/54/1211342754.db2.gz NQXMVGXXAKPNLL-UAGQMJEPSA-N 2 0 362.518 0.728 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CCC1=O ZINC001095625674 1211429282 /nfs/dbraw/zinc/42/92/82/1211429282.db2.gz BLHBDSGSPVKBMP-FXUDXRNXSA-N 2 0 362.474 0.341 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925351840 1211497376 /nfs/dbraw/zinc/49/73/76/1211497376.db2.gz YYSZWWXLDKGZKT-IXDOHACOSA-N 2 0 364.490 0.771 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000925494662 1211501954 /nfs/dbraw/zinc/50/19/54/1211501954.db2.gz LNFSJFASDSJMEI-JKSUJKDBSA-N 2 0 359.474 0.529 20 0 FCADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925936100 1211510360 /nfs/dbraw/zinc/51/03/60/1211510360.db2.gz JFKCWGCSHIRDKO-NJAFHUGGSA-N 2 0 360.502 0.922 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC000926142998 1211517809 /nfs/dbraw/zinc/51/78/09/1211517809.db2.gz MIKBSILUEBSNEG-NWGLXNPWSA-N 2 0 363.506 0.654 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926349328 1211537424 /nfs/dbraw/zinc/53/74/24/1211537424.db2.gz VSHHDDHHAICEAR-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP COc1ccc2c(c1)OC[C@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221320893 1225296951 /nfs/dbraw/zinc/29/69/51/1225296951.db2.gz HTLRMVNQYYQVQC-GUYCJALGSA-N 2 0 362.474 0.113 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632160 1211576438 /nfs/dbraw/zinc/57/64/38/1211576438.db2.gz XEBJXVKKBZJCSU-HOCLYGCPSA-N 2 0 367.494 0.001 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000927883249 1211590059 /nfs/dbraw/zinc/59/00/59/1211590059.db2.gz OYDNNJTYHTUKOY-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)c2)CC1 ZINC000927888913 1211590599 /nfs/dbraw/zinc/59/05/99/1211590599.db2.gz ZGTXOKMAXRXLIT-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000928559679 1211605168 /nfs/dbraw/zinc/60/51/68/1211605168.db2.gz MEWXWKWBKWOTRG-ROUUACIJSA-N 2 0 358.486 0.412 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001221366034 1225302331 /nfs/dbraw/zinc/30/23/31/1225302331.db2.gz KXBDPZNUHRRSBS-OLMNPRSZSA-N 2 0 359.449 0.930 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)c1 ZINC001221403156 1225305900 /nfs/dbraw/zinc/30/59/00/1225305900.db2.gz FWTYQDLYTKNHDW-IRXDYDNUSA-N 2 0 356.426 0.480 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000929976081 1211676954 /nfs/dbraw/zinc/67/69/54/1211676954.db2.gz YFSMZFJXCHAXFC-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001221414730 1225307464 /nfs/dbraw/zinc/30/74/64/1225307464.db2.gz SFWQRHSHBDQKMN-KZNAEPCWSA-N 2 0 354.454 0.603 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404059 1225307591 /nfs/dbraw/zinc/30/75/91/1225307591.db2.gz GISHEMDJIOKWEG-DLBZAZTESA-N 3 0 362.474 0.264 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)c1 ZINC001221404490 1225307712 /nfs/dbraw/zinc/30/77/12/1225307712.db2.gz MFQRYWAAEDATLL-GJZGRUSLSA-N 2 0 366.462 0.070 20 0 FCADRP C[NH+]1CC[C@@H]2C[NH+](CC3(CN4C[C@@H]5CC[N@@H+](C)C[C@@H]5C4)COC3)C[C@@H]2C1 ZINC000931436652 1211756332 /nfs/dbraw/zinc/75/63/32/1211756332.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 0 362.562 0.770 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCCON2C(=O)c3ccccc3C2=O)CC1 ZINC000931481554 1211757868 /nfs/dbraw/zinc/75/78/68/1211757868.db2.gz SPDNPESBXAZMAM-UHFFFAOYSA-N 2 0 361.442 0.993 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000931567342 1211761238 /nfs/dbraw/zinc/76/12/38/1211761238.db2.gz QKVZKNDKVDLGJC-INIZCTEOSA-N 2 0 363.510 0.688 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000931607149 1211763068 /nfs/dbraw/zinc/76/30/68/1211763068.db2.gz LWVFUYRFWDARNO-KRWDZBQOSA-N 2 0 359.474 0.851 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000931610849 1211763728 /nfs/dbraw/zinc/76/37/28/1211763728.db2.gz HZAAXWSESUOEOC-INIZCTEOSA-N 2 0 373.501 0.954 20 0 FCADRP Cc1cccc(NCCNC(=O)C(=O)N2CCC(n3ccnc3)CC2)n1 ZINC000932810880 1211822996 /nfs/dbraw/zinc/82/29/96/1211822996.db2.gz YFHLUMJLQHVAEU-UHFFFAOYSA-N 2 0 356.430 0.978 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)NC1CC1 ZINC001095767694 1211980032 /nfs/dbraw/zinc/98/00/32/1211980032.db2.gz SISWWGSXCXABQJ-PVAVHDDUSA-N 2 0 353.426 0.948 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000968629584 1212054471 /nfs/dbraw/zinc/05/44/71/1212054471.db2.gz MYEMEDSZORZSHG-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC000968864449 1212158055 /nfs/dbraw/zinc/15/80/55/1212158055.db2.gz WZYIADRJESLDIK-BRWVUGGUSA-N 2 0 365.522 0.713 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CCC1 ZINC000968867896 1212159919 /nfs/dbraw/zinc/15/99/19/1212159919.db2.gz JJRVJUQYDCLBNO-SJORKVTESA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001111281213 1212232506 /nfs/dbraw/zinc/23/25/06/1212232506.db2.gz JEVNIZPBUCPPDJ-TVFCKZIOSA-N 2 0 369.506 0.482 20 0 FCADRP CCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281485 1212233422 /nfs/dbraw/zinc/23/34/22/1212233422.db2.gz UVLDGFFLIRSKIL-VQHPVUNQSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559721 1225367338 /nfs/dbraw/zinc/36/73/38/1225367338.db2.gz NAYJDJZNDMNOPZ-LZLYRXPVSA-N 2 0 363.506 0.752 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662494 1212480888 /nfs/dbraw/zinc/48/08/88/1212480888.db2.gz CPEGFIZZSCNTDR-CGTJXYLNSA-N 2 0 366.506 0.650 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@@H+]1C ZINC000953172003 1213000562 /nfs/dbraw/zinc/00/05/62/1213000562.db2.gz HJIOQMGTPBHWPB-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410822 1213070454 /nfs/dbraw/zinc/07/04/54/1213070454.db2.gz ZYERTLJIXAHNKN-OIISXLGYSA-N 2 0 366.506 0.105 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3occc3C[NH+](C)C)C2)CC[N@@H+]1C ZINC000955135875 1213134540 /nfs/dbraw/zinc/13/45/40/1213134540.db2.gz GLRLXTDKQSWIJG-CZUORRHYSA-N 2 0 362.474 0.964 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000956377566 1213188599 /nfs/dbraw/zinc/18/85/99/1213188599.db2.gz APOLORVAZXAZQO-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000956386312 1213189470 /nfs/dbraw/zinc/18/94/70/1213189470.db2.gz ASUOYIHLCHXNAD-HZPDHXFCSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CCc3cncn3C)C2)CC[N@@H+]1C ZINC000957012417 1213230649 /nfs/dbraw/zinc/23/06/49/1213230649.db2.gz HCEOCQIMOQHKER-OGWOLHLISA-N 2 0 361.490 0.800 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001221682635 1225439344 /nfs/dbraw/zinc/43/93/44/1225439344.db2.gz FQYVTROIYROWIL-QGPMSJSTSA-N 2 0 371.441 0.421 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC000958166370 1213386126 /nfs/dbraw/zinc/38/61/26/1213386126.db2.gz ISDJBGLGTPIUOO-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H]1CN(C(=O)CN(C)CCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000796277512 1213402179 /nfs/dbraw/zinc/40/21/79/1213402179.db2.gz ZSFVKZYLOVGLCY-IBGZPJMESA-N 2 0 374.529 0.983 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701517 1225448052 /nfs/dbraw/zinc/44/80/52/1225448052.db2.gz SGMVTUWIECPIBE-SYJBPTKTSA-N 2 0 363.502 0.809 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21)[NH+](C)C ZINC000960663775 1213876973 /nfs/dbraw/zinc/87/69/73/1213876973.db2.gz SBSBKJSKJNHIKL-HRCADAONSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC001016633771 1214025102 /nfs/dbraw/zinc/02/51/02/1214025102.db2.gz XTXKNRBKPYRETL-BZUAXINKSA-N 2 0 363.506 0.323 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000419198790 1214050878 /nfs/dbraw/zinc/05/08/78/1214050878.db2.gz CWDXJALLOSITEZ-HXUWFJFHSA-N 2 0 374.485 0.598 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000419198787 1214050945 /nfs/dbraw/zinc/05/09/45/1214050945.db2.gz CWDXJALLOSITEZ-FQEVSTJZSA-N 2 0 374.485 0.598 20 0 FCADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825634 1225505716 /nfs/dbraw/zinc/50/57/16/1225505716.db2.gz WIXQYOUETYDHCO-UYAOXDASSA-N 2 0 366.550 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C3)CC[N@@H+]1C ZINC001019069560 1214189513 /nfs/dbraw/zinc/18/95/13/1214189513.db2.gz WOZKECYCFNOSIX-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1)[NH+](C)C ZINC000961668488 1214263545 /nfs/dbraw/zinc/26/35/45/1214263545.db2.gz FUSVFJXUOCTWHW-IGKNDFSCSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001020171204 1214316682 /nfs/dbraw/zinc/31/66/82/1214316682.db2.gz RTTRQNNVBQRADK-YFTGLANFSA-N 2 0 362.449 0.929 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC000961929269 1214362205 /nfs/dbraw/zinc/36/22/05/1214362205.db2.gz XPWCDAKQKWUMNX-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP CCn1nc(C)c(C[NH2+]CC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000961988256 1214393213 /nfs/dbraw/zinc/39/32/13/1214393213.db2.gz DZZMMSRGPMLNQQ-IGHZYHEGSA-N 2 0 364.494 0.310 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001039867290 1214451863 /nfs/dbraw/zinc/45/18/63/1214451863.db2.gz GLCROSUZXDOWSV-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[C@@H](C)NC(=O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946883 1225546483 /nfs/dbraw/zinc/54/64/83/1225546483.db2.gz HHZOXNAOCQLUFP-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221968441 1225556840 /nfs/dbraw/zinc/55/68/40/1225556840.db2.gz OILQJGHYHWQPIS-HZPDHXFCSA-N 2 0 364.490 0.400 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC000963811901 1214856139 /nfs/dbraw/zinc/85/61/39/1214856139.db2.gz RSJSQYMLYBYLGI-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000964214685 1214917077 /nfs/dbraw/zinc/91/70/77/1214917077.db2.gz XMHRMTUFFGSLKN-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000968014654 1215274529 /nfs/dbraw/zinc/27/45/29/1215274529.db2.gz ZCLQUJOJEFHOJP-DLBZAZTESA-N 2 0 362.518 0.872 20 0 FCADRP CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968094441 1215284984 /nfs/dbraw/zinc/28/49/84/1215284984.db2.gz DHZCQIWZJBAGGU-GDBMZVCRSA-N 2 0 366.506 0.249 20 0 FCADRP O=C1NCC[C@]12C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001222521781 1225631015 /nfs/dbraw/zinc/63/10/15/1225631015.db2.gz ZNGJBOMFSIILSX-FQEVSTJZSA-N 3 0 355.486 0.008 20 0 FCADRP CC[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633628 1215893184 /nfs/dbraw/zinc/89/31/84/1215893184.db2.gz WGHNTHHXQSMHGJ-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC001055652561 1215900183 /nfs/dbraw/zinc/90/01/83/1215900183.db2.gz CSQXLGMAMRCFMO-NVXWUHKLSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001056083669 1215947097 /nfs/dbraw/zinc/94/70/97/1215947097.db2.gz VFHMCPGQTJLGBS-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693848 1225645406 /nfs/dbraw/zinc/64/54/06/1225645406.db2.gz DPNXUZCUNWLQDN-KURKYZTESA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCC2)CC3)CC[N@@H+]1C ZINC001050523384 1216330067 /nfs/dbraw/zinc/33/00/67/1216330067.db2.gz BGKXSWRAEJEIRN-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccnc3C)C2)CC[N@@H+]1C ZINC001051624401 1216468631 /nfs/dbraw/zinc/46/86/31/1216468631.db2.gz PKJWJRROWVXWCI-XYJFISCASA-N 2 0 361.490 0.832 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001052393371 1216546441 /nfs/dbraw/zinc/54/64/41/1216546441.db2.gz IOHJJSQPUAMGCV-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1=O ZINC000827320074 1216586213 /nfs/dbraw/zinc/58/62/13/1216586213.db2.gz QQSSZOKDTIMXLN-BSDSXHPESA-N 2 0 362.518 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057854622 1216595433 /nfs/dbraw/zinc/59/54/33/1216595433.db2.gz OZYAPJILYTYDTD-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068884802 1216764843 /nfs/dbraw/zinc/76/48/43/1216764843.db2.gz ILRYIFJZZRTRLN-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CCC[NH+](C)C)CO3)CC[N@@H+]1C ZINC001068989509 1216772538 /nfs/dbraw/zinc/77/25/38/1216772538.db2.gz PTMBQEPWOLTFJM-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21)C1CC1 ZINC001223368251 1225701681 /nfs/dbraw/zinc/70/16/81/1225701681.db2.gz GTKIKXFEZIDBSB-WBVHZDCISA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223378479 1225702224 /nfs/dbraw/zinc/70/22/24/1225702224.db2.gz KPRQOWYJIMRNRW-SQNIBIBYSA-N 2 0 363.506 0.509 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCOCC2)CC[N@@H+]1C ZINC001070042122 1216918529 /nfs/dbraw/zinc/91/85/29/1216918529.db2.gz XPVUVPDCKNBNNI-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223569248 1225716980 /nfs/dbraw/zinc/71/69/80/1225716980.db2.gz ATDNYZHIVVIZAW-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP CCN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001224129591 1225758412 /nfs/dbraw/zinc/75/84/12/1225758412.db2.gz IJQFQCJVKWXLQM-RYRKJORJSA-N 2 0 362.518 0.872 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](C)CO)CC2 ZINC001276974418 1225780710 /nfs/dbraw/zinc/78/07/10/1225780710.db2.gz SBRNFAAJVCUGHW-HOTGVXAUSA-N 2 0 369.506 0.280 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001045672884 1217947493 /nfs/dbraw/zinc/94/74/93/1217947493.db2.gz WEBGKJHVOCDEBO-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000900339145 1217979719 /nfs/dbraw/zinc/97/97/19/1217979719.db2.gz MFSNVMHTTJFOOX-UHFFFAOYSA-N 2 0 359.474 0.883 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602739 1218011835 /nfs/dbraw/zinc/01/18/35/1218011835.db2.gz RUEPLBLPTATHJL-RTBURBONSA-N 2 0 366.550 0.850 20 0 FCADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900808768 1218040849 /nfs/dbraw/zinc/04/08/49/1218040849.db2.gz WUZKFIJANJWLGX-ROUUACIJSA-N 2 0 374.533 0.344 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)cn1 ZINC001096140430 1218089976 /nfs/dbraw/zinc/08/99/76/1218089976.db2.gz XZYKPWHXOKKDDN-IKGGRYGDSA-N 2 0 372.477 0.072 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001225345658 1225807454 /nfs/dbraw/zinc/80/74/54/1225807454.db2.gz CEUWZXREEQOJGO-KFWWJZLASA-N 2 0 365.478 0.040 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N2CCC2)CC[N@@H+]1C ZINC001048527760 1218280884 /nfs/dbraw/zinc/28/08/84/1218280884.db2.gz NGBFFPJRFWJGEM-UYTYNIKBSA-N 2 0 362.518 0.918 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538470 1218282972 /nfs/dbraw/zinc/28/29/72/1218282972.db2.gz WDVLGXMAYMHOFI-PHPOFCCKSA-N 2 0 366.506 0.199 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000803179224 1218360758 /nfs/dbraw/zinc/36/07/58/1218360758.db2.gz IZZBYHNUFYYVDL-SFHVURJKSA-N 2 0 372.513 0.972 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000803995636 1218579566 /nfs/dbraw/zinc/57/95/66/1218579566.db2.gz JLJXSBSOMQHENE-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001097079606 1218683592 /nfs/dbraw/zinc/68/35/92/1218683592.db2.gz LWKHTVYLBQYEEU-TWMKSMIVSA-N 2 0 374.485 0.199 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226322814 1225839761 /nfs/dbraw/zinc/83/97/61/1225839761.db2.gz AUOKFSUQARDDHN-KBUPBQIOSA-N 2 0 367.494 0.189 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCc4ccnn4C)C3)C2)CC[N@@H+]1C ZINC001053806639 1218891899 /nfs/dbraw/zinc/89/18/99/1218891899.db2.gz NINKYAIEZHSJCE-HLLBOEOZSA-N 2 0 361.490 0.262 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226799870 1225854806 /nfs/dbraw/zinc/85/48/06/1225854806.db2.gz FLBYZSYKQNGJRI-KZNAEPCWSA-N 2 0 368.522 0.496 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227224744 1225866965 /nfs/dbraw/zinc/86/69/65/1225866965.db2.gz IUFPXSXMSLPJNX-RBSFLKMASA-N 2 0 367.494 0.319 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055577849 1219085505 /nfs/dbraw/zinc/08/55/05/1219085505.db2.gz CPBYBKPVGCYDDV-VYDXJSESSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583681 1219088368 /nfs/dbraw/zinc/08/83/68/1219088368.db2.gz YCPWWLKHOYGFKH-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001055583549 1219088506 /nfs/dbraw/zinc/08/85/06/1219088506.db2.gz RVHYPANIFWEKCL-OIISXLGYSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055589915 1219090945 /nfs/dbraw/zinc/09/09/45/1219090945.db2.gz UNIDSWXIAVITBU-KXBFYZLASA-N 2 0 366.506 0.060 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057414 1219112276 /nfs/dbraw/zinc/11/22/76/1219112276.db2.gz PKMXNGKIKUSYCS-ULQDDVLXSA-N 2 0 366.506 0.156 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804062553 1219117491 /nfs/dbraw/zinc/11/74/91/1219117491.db2.gz ICARZSLAICBOHE-IAGOWNOFSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070207722 1219294009 /nfs/dbraw/zinc/29/40/09/1219294009.db2.gz KVJPHYPJSDRGJN-SJORKVTESA-N 2 0 369.473 0.699 20 0 FCADRP COc1cnc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277237704 1225884283 /nfs/dbraw/zinc/88/42/83/1225884283.db2.gz BXZFTVKKNFLNPU-GOSISDBHSA-N 2 0 361.446 0.388 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)c1 ZINC001070326728 1219376899 /nfs/dbraw/zinc/37/68/99/1219376899.db2.gz ADZVYDJNJDSLSI-KSZLIROESA-N 2 0 369.473 0.475 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326965 1219377764 /nfs/dbraw/zinc/37/77/64/1219377764.db2.gz LVBCZDWWBAHKFQ-KSZLIROESA-N 2 0 354.458 0.772 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070381604 1219406303 /nfs/dbraw/zinc/40/63/03/1219406303.db2.gz KGAJSAMIDWBBPQ-OGWOLHLISA-N 2 0 368.497 0.773 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCCF)CC2)C1 ZINC001070382819 1219407540 /nfs/dbraw/zinc/40/75/40/1219407540.db2.gz SIQIJIPXDMBIHM-JZXOWHBKSA-N 2 0 368.497 0.773 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001070382814 1219407546 /nfs/dbraw/zinc/40/75/46/1219407546.db2.gz SDUQSYXMPLNIRW-KPFFTGBYSA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070505821 1219443674 /nfs/dbraw/zinc/44/36/74/1219443674.db2.gz KABGURAUJHATFY-DOTOQJQBSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1 ZINC001070563463 1219470888 /nfs/dbraw/zinc/47/08/88/1219470888.db2.gz FQWBOIVWAZGUMK-XYJFISCASA-N 2 0 361.490 0.436 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n[nH]2)C1 ZINC001070577063 1219477695 /nfs/dbraw/zinc/47/76/95/1219477695.db2.gz MVUABAAOROATCW-QLFBSQMISA-N 2 0 362.478 0.592 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)ccc2c[nH+]cn21 ZINC001070662075 1219513429 /nfs/dbraw/zinc/51/34/29/1219513429.db2.gz KDYFSWRGHNOWAH-IAGOWNOFSA-N 2 0 368.441 0.566 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001070664306 1219514899 /nfs/dbraw/zinc/51/48/99/1219514899.db2.gz IYAPBNXZPLSXAO-BZUAXINKSA-N 2 0 361.490 0.313 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070706519 1219535430 /nfs/dbraw/zinc/53/54/30/1219535430.db2.gz VZBWJPKRYGHOED-IAGOWNOFSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070719161 1219541715 /nfs/dbraw/zinc/54/17/15/1219541715.db2.gz UUNNFBPPJPOKNJ-KBAYOESNSA-N 2 0 368.485 0.851 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(N)=O ZINC001071060960 1219597535 /nfs/dbraw/zinc/59/75/35/1219597535.db2.gz GLFRQODKJVFLLJ-IMJJTQAJSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCF)CC1 ZINC001071104284 1219607902 /nfs/dbraw/zinc/60/79/02/1219607902.db2.gz QCWCWIRPITZTTB-NXHRZFHOSA-N 2 0 371.497 0.910 20 0 FCADRP COCCc1noc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074657837 1219711321 /nfs/dbraw/zinc/71/13/21/1219711321.db2.gz HOHKZBFHMWKDGV-BARDWOONSA-N 2 0 365.478 0.678 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001098219907 1219743106 /nfs/dbraw/zinc/74/31/06/1219743106.db2.gz XGCRAVIJLUJBTI-FPCVCCKLSA-N 2 0 362.474 0.199 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355428 1225914664 /nfs/dbraw/zinc/91/46/64/1225914664.db2.gz NWSJLAWAFWAHPF-HUUCEWRRSA-N 2 0 369.510 0.581 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001098370954 1219767610 /nfs/dbraw/zinc/76/76/10/1219767610.db2.gz CRXOBYAAYWXQKX-DLBZAZTESA-N 2 0 368.522 0.090 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cncn2)C3)CC[N@@H+]1C ZINC001098846232 1219839227 /nfs/dbraw/zinc/83/92/27/1219839227.db2.gz AAJPAONIRRPEFZ-BMFAXAFESA-N 2 0 360.506 0.979 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099122462 1219921014 /nfs/dbraw/zinc/92/10/14/1219921014.db2.gz VBOSHLCZTQKLRT-GJYPPUQNSA-N 2 0 363.506 0.324 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001099122599 1219921714 /nfs/dbraw/zinc/92/17/14/1219921714.db2.gz BOSFVCIVZLSKJI-YWZLYKJASA-N 2 0 360.502 0.674 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228603672 1225934936 /nfs/dbraw/zinc/93/49/36/1225934936.db2.gz RIBZVDGZZSGDEH-RRFJBIMHSA-N 2 0 367.494 0.191 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001099446277 1219998665 /nfs/dbraw/zinc/99/86/65/1219998665.db2.gz KJLNBPHUXNEDBC-FCEWJHQRSA-N 2 0 362.518 0.920 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C3)nn1 ZINC001099446046 1219998783 /nfs/dbraw/zinc/99/87/83/1219998783.db2.gz HQYXEWRJBUFDCY-WDYCEAGBSA-N 2 0 360.506 0.874 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228594557 1225936046 /nfs/dbraw/zinc/93/60/46/1225936046.db2.gz MWSZCHTYBVRAHY-CGTJXYLNSA-N 2 0 368.522 0.640 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)nc1=O ZINC001228623461 1225936786 /nfs/dbraw/zinc/93/67/86/1225936786.db2.gz BRRCRTFAWDWMED-ZIAGYGMSSA-N 2 0 366.510 0.603 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[NH+]1CCCC1 ZINC001228669047 1225941158 /nfs/dbraw/zinc/94/11/58/1225941158.db2.gz KADQUQRGTYZMPF-KZNAEPCWSA-N 2 0 371.522 0.513 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240544 1220240707 /nfs/dbraw/zinc/24/07/07/1220240707.db2.gz AUSQUXNBGGGHEM-HLIPFELVSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243576 1220242617 /nfs/dbraw/zinc/24/26/17/1220242617.db2.gz NNKPDJSPYRLBHU-OYRIPWCXSA-N 2 0 362.518 0.633 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101342872 1220295587 /nfs/dbraw/zinc/29/55/87/1220295587.db2.gz RFDJCHUFXZFAQY-AOIWGVFYSA-N 2 0 363.506 0.366 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC1 ZINC001101349809 1220297903 /nfs/dbraw/zinc/29/79/03/1220297903.db2.gz FORKUGSZAKGHNR-XLIONFOSSA-N 2 0 362.518 0.635 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353131 1220298304 /nfs/dbraw/zinc/29/83/04/1220298304.db2.gz UKTYXQAUKFSJIE-MDZRGWNJSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417629 1220331600 /nfs/dbraw/zinc/33/16/00/1220331600.db2.gz YYPJIYKXJAHBCA-LMMKCTJWSA-N 2 0 363.506 0.366 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418580 1220333005 /nfs/dbraw/zinc/33/30/05/1220333005.db2.gz ZAPNMSBQJZBBJP-MDZRGWNJSA-N 2 0 360.506 0.888 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443256 1220347699 /nfs/dbraw/zinc/34/76/99/1220347699.db2.gz BIBPMHYUWCNMCF-MDZRGWNJSA-N 2 0 360.506 0.888 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461547 1220358529 /nfs/dbraw/zinc/35/85/29/1220358529.db2.gz ICKUVNDEXJFZCB-APWZRJJASA-N 2 0 366.506 0.015 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460380 1220358729 /nfs/dbraw/zinc/35/87/29/1220358729.db2.gz BRYOCYPVJCICSX-YRNRMSPPSA-N 2 0 362.518 0.729 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461682 1220360539 /nfs/dbraw/zinc/36/05/39/1220360539.db2.gz ORHYTBKHZOCUEE-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@]12CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001101487237 1220371180 /nfs/dbraw/zinc/37/11/80/1220371180.db2.gz UOAZGZGGFNPBLK-HLIPFELVSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@]12CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001101487238 1220372200 /nfs/dbraw/zinc/37/22/00/1220372200.db2.gz UOAZGZGGFNPBLK-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983023 1220452878 /nfs/dbraw/zinc/45/28/78/1220452878.db2.gz XZUJYZGFSJLSAH-QBPKDAKJSA-N 2 0 367.538 0.718 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015897 1220462874 /nfs/dbraw/zinc/46/28/74/1220462874.db2.gz UWJMLFQWJQOVKB-OIISXLGYSA-N 2 0 370.513 0.877 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015454 1220462883 /nfs/dbraw/zinc/46/28/83/1220462883.db2.gz GFTKKMBHKGQJCZ-BZUAXINKSA-N 2 0 371.501 0.376 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046298 1220477449 /nfs/dbraw/zinc/47/74/49/1220477449.db2.gz XAZOPTMMYNDKDX-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102060589 1220482058 /nfs/dbraw/zinc/48/20/58/1220482058.db2.gz HOXNWTDJSBDQJA-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108391 1220499051 /nfs/dbraw/zinc/49/90/51/1220499051.db2.gz KITLCEGJFIGUQN-NUJGCVRESA-N 2 0 364.490 0.599 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108395 1220499070 /nfs/dbraw/zinc/49/90/70/1220499070.db2.gz KOKOFKUMIWDKPH-HZPDHXFCSA-N 2 0 361.490 0.728 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108622 1220499148 /nfs/dbraw/zinc/49/91/48/1220499148.db2.gz UZHLATDOXMXVBA-INMHGKMJSA-N 2 0 361.490 0.856 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214904 1220557733 /nfs/dbraw/zinc/55/77/33/1220557733.db2.gz FWRKRFKABCPJHF-RBSFLKMASA-N 2 0 364.490 0.350 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102316484 1220582048 /nfs/dbraw/zinc/58/20/48/1220582048.db2.gz SEIWYCLPKYLNAD-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369661 1220595662 /nfs/dbraw/zinc/59/56/62/1220595662.db2.gz BWSAJFPAPOCIMJ-LZLYRXPVSA-N 2 0 360.502 0.911 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102369761 1220595926 /nfs/dbraw/zinc/59/59/26/1220595926.db2.gz GOJDCYLOIZGNBI-HDMKZQKVSA-N 2 0 362.522 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375503 1220597997 /nfs/dbraw/zinc/59/79/97/1220597997.db2.gz NKANFJPVJFHPNW-HZPDHXFCSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375568 1220600753 /nfs/dbraw/zinc/60/07/53/1220600753.db2.gz QFLNXSKPONGIRR-HZPDHXFCSA-N 2 0 367.538 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102496372 1220657035 /nfs/dbraw/zinc/65/70/35/1220657035.db2.gz RXWSZPOFZRLARB-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513503 1220672822 /nfs/dbraw/zinc/67/28/22/1220672822.db2.gz NFXZOIYHAJFDLK-VQIMIIECSA-N 2 0 363.502 0.941 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102524515 1220680673 /nfs/dbraw/zinc/68/06/73/1220680673.db2.gz JLWDGDAVQZZFIJ-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102525334 1220682058 /nfs/dbraw/zinc/68/20/58/1220682058.db2.gz XBTYYDWXZMRVOO-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578038 1220700306 /nfs/dbraw/zinc/70/03/06/1220700306.db2.gz ILBJHHLNJFNHGB-OWCLPIDISA-N 2 0 362.474 0.532 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001229193714 1225986982 /nfs/dbraw/zinc/98/69/82/1225986982.db2.gz CVCOWZYOQTYFQR-FMKPAKJESA-N 2 0 369.510 0.565 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596625 1220718116 /nfs/dbraw/zinc/71/81/16/1220718116.db2.gz PWRRFPKHPMLBIA-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612824 1220731387 /nfs/dbraw/zinc/73/13/87/1220731387.db2.gz ZHWFZAMKHDCSSU-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050258 1220824048 /nfs/dbraw/zinc/82/40/48/1220824048.db2.gz ZQFLOWJGISIPBI-ZACQAIPSSA-N 2 0 370.513 0.973 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083740 1220830376 /nfs/dbraw/zinc/83/03/76/1220830376.db2.gz HLSMGZCHBVZZPQ-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089786 1220830754 /nfs/dbraw/zinc/83/07/54/1220830754.db2.gz BAORRJBUZMNMEJ-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103087225 1220831028 /nfs/dbraw/zinc/83/10/28/1220831028.db2.gz CFYGGVXXGWTCDS-OLMNPRSZSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103087418 1220831193 /nfs/dbraw/zinc/83/11/93/1220831193.db2.gz GZOSNBJWCZXDSM-DJIMGWMZSA-N 2 0 365.522 0.426 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364521 1220871226 /nfs/dbraw/zinc/87/12/26/1220871226.db2.gz JXKCDUNDHBBXMF-ZACQAIPSSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378806 1220873865 /nfs/dbraw/zinc/87/38/65/1220873865.db2.gz LJDPEWYTIFYNKO-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407571 1220878027 /nfs/dbraw/zinc/87/80/27/1220878027.db2.gz JSJYDHDQJRBGLS-IIAWOOMASA-N 2 0 369.510 0.102 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436390 1220882370 /nfs/dbraw/zinc/88/23/70/1220882370.db2.gz WCGYSLLHPKZOOD-LZLYRXPVSA-N 2 0 364.534 0.929 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584551 1220907968 /nfs/dbraw/zinc/90/79/68/1220907968.db2.gz ZFECXGTXPTUIGG-ZACQAIPSSA-N 2 0 371.522 0.179 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641787 1220925166 /nfs/dbraw/zinc/92/51/66/1220925166.db2.gz DMYLLYGHNHPVPL-IAGOWNOFSA-N 2 0 370.538 0.506 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642251 1220926134 /nfs/dbraw/zinc/92/61/34/1220926134.db2.gz WQKWDIYUQBHRPN-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654785 1220929552 /nfs/dbraw/zinc/92/95/52/1220929552.db2.gz BIFPYGYFDIIJBK-HUUCEWRRSA-N 2 0 366.510 0.415 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722504 1220952118 /nfs/dbraw/zinc/95/21/18/1220952118.db2.gz QCUDZPVCUYZDCR-KURKYZTESA-N 2 0 371.522 0.180 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721539 1220952763 /nfs/dbraw/zinc/95/27/63/1220952763.db2.gz WWZPWBYVFLBHLC-NXHRZFHOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721252 1220953027 /nfs/dbraw/zinc/95/30/27/1220953027.db2.gz JLGDHCPKHBDGPL-OAGGEKHMSA-N 2 0 364.490 0.161 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757210 1220966412 /nfs/dbraw/zinc/96/64/12/1220966412.db2.gz QSGACVMRYBSMJF-KFWWJZLASA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104185978 1221018374 /nfs/dbraw/zinc/01/83/74/1221018374.db2.gz SCOPUJHOMCMJSX-RBSFLKMASA-N 2 0 367.494 0.128 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNC2=O)CC1 ZINC001229388396 1226007911 /nfs/dbraw/zinc/00/79/11/1226007911.db2.gz FOUFMENVDZMSPN-ZACQAIPSSA-N 2 0 366.506 0.393 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751200 1221088834 /nfs/dbraw/zinc/08/88/34/1221088834.db2.gz LRMVFWGFFDYOQN-QKLQHJQFSA-N 2 0 362.518 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001229503868 1226015270 /nfs/dbraw/zinc/01/52/70/1226015270.db2.gz NXYKDVHNCJQCMM-GVDBMIGSSA-N 2 0 368.522 0.640 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917093 1221166792 /nfs/dbraw/zinc/16/67/92/1221166792.db2.gz LTIVWWFCQSTLNR-KXBFYZLASA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCCCOC)C2 ZINC001111926648 1221173481 /nfs/dbraw/zinc/17/34/81/1221173481.db2.gz AMIKRHFMFRKLSC-LPHOPBHVSA-N 2 0 368.522 0.452 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111938385 1221179846 /nfs/dbraw/zinc/17/98/46/1221179846.db2.gz YUOPJYVWLYROLU-KNBMTAEXSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939447 1221180092 /nfs/dbraw/zinc/18/00/92/1221180092.db2.gz AEZVMXHUDHZGGA-DOXZYTNZSA-N 2 0 366.506 0.202 20 0 FCADRP Cn1[nH]c(CN2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001111949090 1221182156 /nfs/dbraw/zinc/18/21/56/1221182156.db2.gz NJBBZEARVOMWLX-KSSFIOAISA-N 2 0 364.494 0.311 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111947744 1221182445 /nfs/dbraw/zinc/18/24/45/1221182445.db2.gz YMZBFRRFOFIQOE-LPHOPBHVSA-N 2 0 365.522 0.714 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCCOCC)C2 ZINC001111951189 1221182606 /nfs/dbraw/zinc/18/26/06/1221182606.db2.gz XCMRWEASWAVHRN-LPHOPBHVSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C(N)=O ZINC001112424447 1221257129 /nfs/dbraw/zinc/25/71/29/1221257129.db2.gz ZURZHDQNGLEGIA-FTRWYGJKSA-N 2 0 362.518 0.955 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001112444099 1221260571 /nfs/dbraw/zinc/26/05/71/1221260571.db2.gz DPKSLHODPKXNIN-LIRRHRJNSA-N 2 0 355.442 0.960 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C12CCC[NH+]1CCC2 ZINC001112447256 1221261701 /nfs/dbraw/zinc/26/17/01/1221261701.db2.gz MDOJZFXSZWPINV-HKUYNNGSSA-N 2 0 365.518 0.842 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229692885 1226028103 /nfs/dbraw/zinc/02/81/03/1226028103.db2.gz LVYFGFDHNIOYTN-BRWVUGGUSA-N 2 0 370.538 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3CCNC3=O)CCCCC2)CC[N@@H+]1C ZINC001115543374 1221312860 /nfs/dbraw/zinc/31/28/60/1221312860.db2.gz DPHXOGFYYTUPOA-HZPDHXFCSA-N 2 0 365.522 0.761 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001116952289 1221407827 /nfs/dbraw/zinc/40/78/27/1221407827.db2.gz IPIIQJWUYJHFJL-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001116986798 1221419842 /nfs/dbraw/zinc/41/98/42/1221419842.db2.gz VECRKXHHDYRCEM-OAHLLOKOSA-N 2 0 373.501 0.934 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCc2ccco2)C1 ZINC001230138019 1226056585 /nfs/dbraw/zinc/05/65/85/1226056585.db2.gz CEBFWGDTOZJNNE-DJIMGWMZSA-N 2 0 362.474 0.865 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001117854488 1221632115 /nfs/dbraw/zinc/63/21/15/1221632115.db2.gz RKTMRGMLCFWUQC-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001117854489 1221632499 /nfs/dbraw/zinc/63/24/99/1221632499.db2.gz RKTMRGMLCFWUQC-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001230138161 1226057346 /nfs/dbraw/zinc/05/73/46/1226057346.db2.gz IHTCQDZDAMYEMN-RRFJBIMHSA-N 2 0 363.462 0.890 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230149929 1226059034 /nfs/dbraw/zinc/05/90/34/1226059034.db2.gz URKHFMWLPPBJKZ-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)nn1 ZINC001118133730 1221717875 /nfs/dbraw/zinc/71/78/75/1221717875.db2.gz AQADLEJVYNIEPG-UHFFFAOYSA-N 2 0 357.462 0.806 20 0 FCADRP [NH2+]=C(NC[C@H](O)CN1CCCC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001118411806 1221776442 /nfs/dbraw/zinc/77/64/42/1221776442.db2.gz OENLUGYXNVGDKQ-SFHVURJKSA-N 2 0 373.501 0.748 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118571485 1221801993 /nfs/dbraw/zinc/80/19/93/1221801993.db2.gz DMBBYFGARBLQGZ-HOTGVXAUSA-N 2 0 362.478 0.576 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118571489 1221802218 /nfs/dbraw/zinc/80/22/18/1221802218.db2.gz DMBBYFGARBLQGZ-JKSUJKDBSA-N 2 0 362.478 0.576 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001118644530 1221812728 /nfs/dbraw/zinc/81/27/28/1221812728.db2.gz OSIFBFPDFACEOV-QGZVFWFLSA-N 2 0 366.506 0.345 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119066631 1221861912 /nfs/dbraw/zinc/86/19/12/1221861912.db2.gz NXXXVSDPSAWVGP-IBGZPJMESA-N 2 0 358.442 0.409 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC001119368090 1221907295 /nfs/dbraw/zinc/90/72/95/1221907295.db2.gz HJBWXGUBBOGSMW-IAGOWNOFSA-N 2 0 360.458 0.426 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC001119417885 1221914525 /nfs/dbraw/zinc/91/45/25/1221914525.db2.gz VVNXRBCISMXJEV-KZNAEPCWSA-N 2 0 360.502 0.909 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC001119417413 1221914600 /nfs/dbraw/zinc/91/46/00/1221914600.db2.gz PQGOCHSNCCNSGY-CZIWCDLHSA-N 2 0 358.486 0.793 20 0 FCADRP COCC1(CNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]CC1 ZINC001119415826 1221914897 /nfs/dbraw/zinc/91/48/97/1221914897.db2.gz BHPMTIKUARYDJM-UHFFFAOYSA-N 2 0 368.522 0.945 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001119429689 1221917181 /nfs/dbraw/zinc/91/71/81/1221917181.db2.gz XLMPKOVGBDXDKV-QZTJIDSGSA-N 2 0 356.470 0.514 20 0 FCADRP COc1cccc([C@H](CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC001121898173 1222221108 /nfs/dbraw/zinc/22/11/08/1222221108.db2.gz YDBDJFXSWQGASM-FUHWJXTLSA-N 2 0 364.490 0.904 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001121917560 1222223460 /nfs/dbraw/zinc/22/34/60/1222223460.db2.gz WHABCLYKXDKHSC-FQEVSTJZSA-N 2 0 361.486 0.764 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001121923326 1222224172 /nfs/dbraw/zinc/22/41/72/1222224172.db2.gz XPFCBXYTYBFGDI-WBVHZDCISA-N 2 0 368.522 0.626 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC001121997770 1222231130 /nfs/dbraw/zinc/23/11/30/1222231130.db2.gz HIPFPVGVCQUDMP-LJQANCHMSA-N 2 0 362.474 0.099 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122521716 1222279718 /nfs/dbraw/zinc/27/97/18/1222279718.db2.gz QLCRYRDLGRRASR-MSOLQXFVSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001123696010 1222351488 /nfs/dbraw/zinc/35/14/88/1222351488.db2.gz YYZQKDCRTGEDDT-SOLBZPMBSA-N 2 0 360.506 0.936 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC001123775320 1222356423 /nfs/dbraw/zinc/35/64/23/1222356423.db2.gz UFLBWXXAJSPTBT-GSEOLPGOSA-N 2 0 372.513 0.374 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000828284774 1222399679 /nfs/dbraw/zinc/39/96/79/1222399679.db2.gz RXJJPWCREDARNI-BRWVUGGUSA-N 2 0 366.506 0.345 20 0 FCADRP CN(C)C(=O)CN1CCOCC2(CC[NH+](Cc3ncccc3O)CC2)C1 ZINC001138392798 1222504571 /nfs/dbraw/zinc/50/45/71/1222504571.db2.gz MPIYIRWCPQUXGP-UHFFFAOYSA-N 2 0 362.474 0.790 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138466684 1222510537 /nfs/dbraw/zinc/51/05/37/1222510537.db2.gz QROBRFTXNGDBSI-HUUCEWRRSA-N 2 0 358.446 0.884 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccn4ccnc4c3)CC[C@@H]2C1 ZINC001141043790 1222628341 /nfs/dbraw/zinc/62/83/41/1222628341.db2.gz LNLRADAWBKVLPJ-QZTJIDSGSA-N 2 0 371.485 0.945 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C2CC2)n1 ZINC001277620498 1226142081 /nfs/dbraw/zinc/14/20/81/1226142081.db2.gz JIRUOSJRBBEHFL-IBGZPJMESA-N 2 0 361.490 0.662 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000841161823 1222811183 /nfs/dbraw/zinc/81/11/83/1222811183.db2.gz VGZZXANLELYVFD-HNNXBMFYSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841162869 1222811321 /nfs/dbraw/zinc/81/13/21/1222811321.db2.gz NEJGFHCNQJYUQP-HNNXBMFYSA-N 2 0 359.474 0.574 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000841166288 1222811554 /nfs/dbraw/zinc/81/15/54/1222811554.db2.gz NQBQMWRTTFVTRF-UHFFFAOYSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841180063 1222811962 /nfs/dbraw/zinc/81/19/62/1222811962.db2.gz WQHQHFFMOKEOLM-HOTGVXAUSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841208049 1222813650 /nfs/dbraw/zinc/81/36/50/1222813650.db2.gz KDDRLSBJNJVLIO-LSDHHAIUSA-N 2 0 359.474 0.586 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC000841210174 1222813759 /nfs/dbraw/zinc/81/37/59/1222813759.db2.gz QQXLQJAWQODOQT-HZPDHXFCSA-N 2 0 373.501 0.976 20 0 FCADRP COC(=O)c1ccc(C2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)cc1 ZINC001161220740 1222816361 /nfs/dbraw/zinc/81/63/61/1222816361.db2.gz AKIBKRVEFSSGHG-QGZVFWFLSA-N 2 0 360.458 0.149 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000841266973 1222817277 /nfs/dbraw/zinc/81/72/77/1222817277.db2.gz JBUPXDZFIHYNFK-UHFFFAOYSA-N 2 0 359.474 0.587 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000841277323 1222817617 /nfs/dbraw/zinc/81/76/17/1222817617.db2.gz ZKMCJZUBCZRCOW-HZPDHXFCSA-N 2 0 373.501 0.820 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846339 1222829904 /nfs/dbraw/zinc/82/99/04/1222829904.db2.gz HWCDJQHWGFGKOK-HZPDHXFCSA-N 2 0 374.441 0.402 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000841932874 1222832324 /nfs/dbraw/zinc/83/23/24/1222832324.db2.gz IDIHLCSPIYFPHY-UHFFFAOYSA-N 2 0 373.501 0.637 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000842088480 1222835412 /nfs/dbraw/zinc/83/54/12/1222835412.db2.gz OYZBGTHXMBRCHX-KRWDZBQOSA-N 2 0 366.506 0.333 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000842171821 1222838915 /nfs/dbraw/zinc/83/89/15/1222838915.db2.gz XNUUJIIWPLYRAX-UHFFFAOYSA-N 2 0 372.513 0.930 20 0 FCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164387 1222838975 /nfs/dbraw/zinc/83/89/75/1222838975.db2.gz JMFSSCCKOVRZPX-SJORKVTESA-N 2 0 366.506 0.394 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188841 1222839377 /nfs/dbraw/zinc/83/93/77/1222839377.db2.gz LAUWTVVRKHISLW-FQEVSTJZSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188520 1222839419 /nfs/dbraw/zinc/83/94/19/1222839419.db2.gz HCRBYUYTMKKEER-HXUWFJFHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191068 1222839637 /nfs/dbraw/zinc/83/96/37/1222839637.db2.gz WOGOSRUYXWDUOO-PXNSSMCTSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000842203010 1222840973 /nfs/dbraw/zinc/84/09/73/1222840973.db2.gz OANWCLABQFGFAC-RDHHWEPZSA-N 2 0 366.506 0.474 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842274688 1222846131 /nfs/dbraw/zinc/84/61/31/1222846131.db2.gz YGDXDDJQYKLIHM-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000842478775 1222848113 /nfs/dbraw/zinc/84/81/13/1222848113.db2.gz PBXZVWMUUFHQSP-KBPBESRZSA-N 2 0 365.478 0.579 20 0 FCADRP C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C[NH3+] ZINC000842478780 1222848175 /nfs/dbraw/zinc/84/81/75/1222848175.db2.gz PBXZVWMUUFHQSP-UONOGXRCSA-N 2 0 365.478 0.579 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CC[NH+]2CCCCC2)CC3)CC1 ZINC001142914534 1222854700 /nfs/dbraw/zinc/85/47/00/1222854700.db2.gz RAFQBUXDIBGOAJ-UHFFFAOYSA-N 2 0 374.533 0.849 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000843261981 1222867698 /nfs/dbraw/zinc/86/76/98/1222867698.db2.gz PSWVOJAWXQFJCG-DLBZAZTESA-N 2 0 368.522 0.506 20 0 FCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843345930 1222871166 /nfs/dbraw/zinc/87/11/66/1222871166.db2.gz GPHDAHFKMKHNRV-AWEZNQCLSA-N 2 0 365.478 0.594 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000843348418 1222871834 /nfs/dbraw/zinc/87/18/34/1222871834.db2.gz FWWWLSYPOFZJGH-ZDUSSCGKSA-N 2 0 365.478 0.722 20 0 FCADRP CN1CC[NH+](CCC(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC001143237170 1222872585 /nfs/dbraw/zinc/87/25/85/1222872585.db2.gz HSCSHOOOMDVFJW-UHFFFAOYSA-N 2 0 371.526 0.197 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C[NH+](C)C ZINC001151536749 1222930623 /nfs/dbraw/zinc/93/06/23/1222930623.db2.gz YOOCCTAXUWHDBW-BZUAXINKSA-N 2 0 364.494 0.126 20 0 FCADRP CC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001277712571 1226168927 /nfs/dbraw/zinc/16/89/27/1226168927.db2.gz JWVJDENMCYKGSJ-UYAOXDASSA-N 2 0 366.550 0.852 20 0 FCADRP c1ccc(N2CCN(C3CN(c4cc5c(nn4)CC[NH2+]C5)C3)CC2)nc1 ZINC001154648505 1223014800 /nfs/dbraw/zinc/01/48/00/1223014800.db2.gz LJWUXRDSNREMJT-UHFFFAOYSA-N 2 0 351.458 0.528 20 0 FCADRP Nc1cccnc1N1CCN(c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001154787814 1223018691 /nfs/dbraw/zinc/01/86/91/1223018691.db2.gz SYLJLJIGLJVVDG-UHFFFAOYSA-N 2 0 355.446 0.911 20 0 FCADRP CCOC(=O)[C@H]1CCCN(c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)C1 ZINC001157098861 1223068258 /nfs/dbraw/zinc/06/82/58/1223068258.db2.gz CPYLJGFZRVITAR-ZDUSSCGKSA-N 2 0 363.466 0.931 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3CCN(c4ncc(O)cn4)CC3)[nH+]2)CC1 ZINC001157240042 1223071125 /nfs/dbraw/zinc/07/11/25/1223071125.db2.gz HZINYTLEACEORM-UHFFFAOYSA-N 2 0 355.446 0.831 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001157323788 1223073708 /nfs/dbraw/zinc/07/37/08/1223073708.db2.gz NXCYVGUOIPOWSQ-KGLIPLIRSA-N 2 0 374.407 0.935 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)Cc1ccc(CC[NH3+])cc1)C(=O)N1CCCC1 ZINC001157386411 1223075642 /nfs/dbraw/zinc/07/56/42/1223075642.db2.gz KLENHQHCGNDSKD-SFHVURJKSA-N 2 0 360.502 0.967 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001157449101 1223076488 /nfs/dbraw/zinc/07/64/88/1223076488.db2.gz RMHFJWWHHRGUDB-CVEARBPZSA-N 2 0 366.506 0.333 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC1 ZINC001157449088 1223076677 /nfs/dbraw/zinc/07/66/77/1223076677.db2.gz RDMOCQBVYJUVSP-DNVCBOLYSA-N 2 0 367.490 0.808 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720868 1223081178 /nfs/dbraw/zinc/08/11/78/1223081178.db2.gz QRNIOXRPCCPWNF-APWZRJJASA-N 2 0 371.485 0.561 20 0 FCADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001157847132 1223082678 /nfs/dbraw/zinc/08/26/78/1223082678.db2.gz KGVITHZCNOEDPZ-DEYYWGMASA-N 2 0 371.485 0.740 20 0 FCADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001157847138 1223082683 /nfs/dbraw/zinc/08/26/83/1223082683.db2.gz KGVITHZCNOEDPZ-LBTNJELSSA-N 2 0 371.485 0.740 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC001157916245 1223084101 /nfs/dbraw/zinc/08/41/01/1223084101.db2.gz PUWWSDFRKFADLL-UHFFFAOYSA-N 2 0 359.482 0.088 20 0 FCADRP O=C(C1=CC2(CC[NH2+]CC2)c2ccccc21)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093544 1223088691 /nfs/dbraw/zinc/08/86/91/1223088691.db2.gz XAQYXYLTQKADET-OAQYLSRUSA-N 2 0 366.465 0.395 20 0 FCADRP O=C(c1ccc2ccc(N3CC[NH2+]CC3)n2c1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178789 1223090261 /nfs/dbraw/zinc/09/02/61/1223090261.db2.gz CIWYABKVRVTQFX-SJLPKXTDSA-N 2 0 369.469 0.409 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198165 1223090530 /nfs/dbraw/zinc/09/05/30/1223090530.db2.gz ADKQAJNRVOXANT-XWTMOSNGSA-N 2 0 357.454 0.870 20 0 FCADRP Cc1ccc([C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)N2CCC[NH2+]CC2)cc1 ZINC001158180545 1223090743 /nfs/dbraw/zinc/09/07/43/1223090743.db2.gz ZXZSEUVUIQDQDI-VAMGGRTRSA-N 2 0 372.513 0.778 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260516 1223092305 /nfs/dbraw/zinc/09/23/05/1223092305.db2.gz FCEANNDYWVSMNE-KRWDZBQOSA-N 2 0 366.469 0.804 20 0 FCADRP COc1ccc([C@@H]([NH3+])CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cn1 ZINC001158261071 1223092632 /nfs/dbraw/zinc/09/26/32/1223092632.db2.gz JKFSXWAQPPTTOF-AWEZNQCLSA-N 2 0 371.445 0.193 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001158412645 1223097203 /nfs/dbraw/zinc/09/72/03/1223097203.db2.gz SMRNOUHSBSCJFJ-LSDHHAIUSA-N 2 0 364.494 0.493 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421221 1223097338 /nfs/dbraw/zinc/09/73/38/1223097338.db2.gz CZUBFDIYVDOKOL-BSDSXHPESA-N 2 0 357.454 0.870 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158415763 1223097364 /nfs/dbraw/zinc/09/73/64/1223097364.db2.gz ODMTWYKBVNVOFF-FHWLQOOXSA-N 2 0 369.469 0.890 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421224 1223097631 /nfs/dbraw/zinc/09/76/31/1223097631.db2.gz CZUBFDIYVDOKOL-XWTMOSNGSA-N 2 0 357.454 0.870 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001158496643 1223099704 /nfs/dbraw/zinc/09/97/04/1223099704.db2.gz WEGYTAXQIJHHML-YQFWSFKMSA-N 2 0 360.458 0.350 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533301 1223101763 /nfs/dbraw/zinc/10/17/63/1223101763.db2.gz JZHLWNNNGRVSPZ-QQTQMKHKSA-N 3 0 362.518 0.430 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@H]2CF)CC1 ZINC001158566269 1223102433 /nfs/dbraw/zinc/10/24/33/1223102433.db2.gz AMUCFMHODBSLNH-MCIONIFRSA-N 2 0 362.453 0.065 20 0 FCADRP CCOC(=O)C1(Nc2nccc(N3CCC([NH3+])CC3)n2)CC[NH+](C)CC1 ZINC001158572634 1223102615 /nfs/dbraw/zinc/10/26/15/1223102615.db2.gz RWHFWGJBKDZKNU-UHFFFAOYSA-N 2 0 362.478 0.844 20 0 FCADRP Cc1cc2c(c(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)n1)C(=O)NC2=O ZINC001158589486 1223102823 /nfs/dbraw/zinc/10/28/23/1223102823.db2.gz SMFILTPQIJPYQX-UHFFFAOYSA-N 2 0 357.458 0.926 20 0 FCADRP CN1CCN(c2nccc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)n2)CC1 ZINC001158589836 1223103026 /nfs/dbraw/zinc/10/30/26/1223103026.db2.gz ZUOTUNZQDJZQEX-UHFFFAOYSA-N 2 0 373.549 0.881 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001158602324 1223103268 /nfs/dbraw/zinc/10/32/68/1223103268.db2.gz XUUQIPHFTQLJEK-AWEZNQCLSA-N 2 0 355.442 0.714 20 0 FCADRP C[NH+]1CCC(N(c2ccnc(N3CCOCC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158581406 1223103310 /nfs/dbraw/zinc/10/33/10/1223103310.db2.gz REFKPCQXBVHFQG-UHFFFAOYSA-N 2 0 360.506 0.966 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC001158890690 1223112420 /nfs/dbraw/zinc/11/24/20/1223112420.db2.gz KAGHYEKMXGTBDT-SFHVURJKSA-N 2 0 370.497 0.904 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935674 1223113455 /nfs/dbraw/zinc/11/34/55/1223113455.db2.gz YYTUKYNTDXWGFN-LZLYRXPVSA-N 2 0 357.458 0.110 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159037038 1223116305 /nfs/dbraw/zinc/11/63/05/1223116305.db2.gz HRNPYFNEPGBJRS-KRWDZBQOSA-N 2 0 364.490 0.929 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001159134445 1223118260 /nfs/dbraw/zinc/11/82/60/1223118260.db2.gz NXVHYMMIYBJBNA-HOTGVXAUSA-N 3 0 360.506 0.277 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccc([C@@H](N)C[NH3+])cc2)C1 ZINC001159134817 1223118681 /nfs/dbraw/zinc/11/86/81/1223118681.db2.gz PTMXVYMYHNAPSC-YOEHRIQHSA-N 2 0 356.474 0.675 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160682 1223119422 /nfs/dbraw/zinc/11/94/22/1223119422.db2.gz OMLPVDGRQXEVPG-GJZGRUSLSA-N 2 0 366.506 0.474 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160207 1223119448 /nfs/dbraw/zinc/11/94/48/1223119448.db2.gz FKRVIAFXYZKRRU-MRXNPFEDSA-N 2 0 357.462 0.157 20 0 FCADRP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160644 1223119532 /nfs/dbraw/zinc/11/95/32/1223119532.db2.gz NNKZKFWGNNYSHL-GQIGUUNPSA-N 3 0 364.534 0.724 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235070 1223121844 /nfs/dbraw/zinc/12/18/44/1223121844.db2.gz QRQXXPPYPUYVNZ-HZPDHXFCSA-N 2 0 372.448 0.905 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1 ZINC001159256950 1223122318 /nfs/dbraw/zinc/12/23/18/1223122318.db2.gz MNXHMUJYNOJUNF-OKZBNKHCSA-N 2 0 373.501 0.809 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001159318415 1223124311 /nfs/dbraw/zinc/12/43/11/1223124311.db2.gz NVLIDDMKAABXOK-HNNXBMFYSA-N 2 0 373.461 0.188 20 0 FCADRP O=C(C=C1CC[NH2+]CC1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403678 1223125796 /nfs/dbraw/zinc/12/57/96/1223125796.db2.gz ROXYMOMNUFMTSZ-YESZJQIVSA-N 2 0 357.458 0.744 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402572 1223125894 /nfs/dbraw/zinc/12/58/94/1223125894.db2.gz HTVJJMDDPUOLCC-UVPYHEFZSA-N 2 0 363.437 0.382 20 0 FCADRP Nc1ncn(-c2ccc3c(c2)C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159407396 1223126057 /nfs/dbraw/zinc/12/60/57/1223126057.db2.gz WNAYGSVLGCWQQU-IUODEOHRSA-N 2 0 374.876 0.582 20 0 FCADRP CC(C)C[C@@](C)([NH3+])C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001159426537 1223126727 /nfs/dbraw/zinc/12/67/27/1223126727.db2.gz YFTOKXFNPTZBHV-LJQANCHMSA-N 2 0 362.522 0.736 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001159472578 1223127774 /nfs/dbraw/zinc/12/77/74/1223127774.db2.gz WHRCQDKOFZNPFL-ONCXSQPRSA-N 2 0 362.518 0.145 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001159481446 1223128040 /nfs/dbraw/zinc/12/80/40/1223128040.db2.gz PRXUJNGYGDFPRI-QWFCFKBJSA-N 3 0 364.534 0.520 20 0 FCADRP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159548403 1223129356 /nfs/dbraw/zinc/12/93/56/1223129356.db2.gz ADBTZUIPKAZSKM-AUUYWEPGSA-N 2 0 358.490 0.209 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159573695 1223129931 /nfs/dbraw/zinc/12/99/31/1223129931.db2.gz DINKOHVVDCASLF-HNNXBMFYSA-N 2 0 369.473 0.042 20 0 FCADRP [NH3+]C1(C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)CC1 ZINC001159565502 1223129962 /nfs/dbraw/zinc/12/99/62/1223129962.db2.gz FBPWOSSBAJLBCG-UHFFFAOYSA-N 2 0 352.442 0.857 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159585853 1223130515 /nfs/dbraw/zinc/13/05/15/1223130515.db2.gz UCOKHUKTNIURKM-SJORKVTESA-N 2 0 363.506 0.985 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)[C@@H]2C ZINC001159632817 1223131403 /nfs/dbraw/zinc/13/14/03/1223131403.db2.gz AIRXYZKAGDLINJ-YQFWSFKMSA-N 2 0 360.506 0.576 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)[C@@H]2C ZINC001159634590 1223131797 /nfs/dbraw/zinc/13/17/97/1223131797.db2.gz ZUHDHWHQTYWVMD-ZBFHGGJFSA-N 3 0 360.506 0.436 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001159665260 1223133219 /nfs/dbraw/zinc/13/32/19/1223133219.db2.gz INWQNXWPRUMQAM-FHWLQOOXSA-N 3 0 373.501 0.210 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677534 1223133624 /nfs/dbraw/zinc/13/36/24/1223133624.db2.gz LJQUMLJFAUPCCG-MRXNPFEDSA-N 2 0 371.485 0.088 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696118 1223133987 /nfs/dbraw/zinc/13/39/87/1223133987.db2.gz COCFJEOSPFJJRR-MSOLQXFVSA-N 2 0 370.497 0.836 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159722947 1223135248 /nfs/dbraw/zinc/13/52/48/1223135248.db2.gz NIDNEQHPUFILSC-UONOGXRCSA-N 2 0 371.445 0.263 20 0 FCADRP CN1Cc2ccccc2CC2(CCN(C(=O)C[NH2+]CCC[NH3+])CC2)C1=O ZINC001159800857 1223137237 /nfs/dbraw/zinc/13/72/37/1223137237.db2.gz YSRYBNYGWPBRDR-UHFFFAOYSA-N 2 0 358.486 0.748 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001159841098 1223137542 /nfs/dbraw/zinc/13/75/42/1223137542.db2.gz GZHBXRRTUGTIKK-QXCFHYIPSA-N 2 0 364.534 0.791 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001159929695 1223139952 /nfs/dbraw/zinc/13/99/52/1223139952.db2.gz JDAKCCMVKQOYKA-AJYBTWMASA-N 2 0 364.534 0.772 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)C1CC[NH2+]CC1 ZINC001159980743 1223141326 /nfs/dbraw/zinc/14/13/26/1223141326.db2.gz QWLRVQZCUGDAEQ-QGZVFWFLSA-N 2 0 357.462 0.187 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054120 1223143454 /nfs/dbraw/zinc/14/34/54/1223143454.db2.gz XKEIOOMCYKMJDS-LSIDRNEPSA-N 2 0 357.458 0.495 20 0 FCADRP Cc1ccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053280 1223143601 /nfs/dbraw/zinc/14/36/01/1223143601.db2.gz REUFXUUFBLSOCA-SNRMKQJTSA-N 2 0 374.489 0.110 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160083788 1223144865 /nfs/dbraw/zinc/14/48/65/1223144865.db2.gz CEEVCELQLATIAP-ZWOKBUDYSA-N 2 0 373.501 0.653 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160109718 1223145875 /nfs/dbraw/zinc/14/58/75/1223145875.db2.gz GVFGNTXYHPFSAE-CVEARBPZSA-N 2 0 359.474 0.503 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298893 1223153637 /nfs/dbraw/zinc/15/36/37/1223153637.db2.gz AUSQUBPNAZROGQ-LIRRHRJNSA-N 2 0 374.441 0.437 20 0 FCADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160380436 1223156836 /nfs/dbraw/zinc/15/68/36/1223156836.db2.gz FJBTUEHMQASAOD-HNNXBMFYSA-N 2 0 365.526 0.697 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414854 1223157722 /nfs/dbraw/zinc/15/77/22/1223157722.db2.gz DWUWQGZTIQKNKE-MAUKXSAKSA-N 2 0 360.462 0.278 20 0 FCADRP O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001160413484 1223157841 /nfs/dbraw/zinc/15/78/41/1223157841.db2.gz ZGLUHZCOPOKDOL-PMPSAXMXSA-N 2 0 372.469 0.827 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001160421614 1223158892 /nfs/dbraw/zinc/15/88/92/1223158892.db2.gz CEIKVMPNZMYLRZ-CSQLCUNESA-N 2 0 357.502 0.830 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3ccc4cccc(C[NH3+])c43)n1)CC[NH2+]CC2 ZINC001160453065 1223160785 /nfs/dbraw/zinc/16/07/85/1223160785.db2.gz CYKFFIWYRNHOFJ-UHFFFAOYSA-N 2 0 371.466 0.971 20 0 FCADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001160542113 1223163787 /nfs/dbraw/zinc/16/37/87/1223163787.db2.gz OJIVEAJQUVLNNP-HOCLYGCPSA-N 2 0 368.441 0.113 20 0 FCADRP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160709649 1223169367 /nfs/dbraw/zinc/16/93/67/1223169367.db2.gz HRMITOHLYKRTHZ-GHTZIAJQSA-N 2 0 354.498 0.987 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC001160726824 1223170380 /nfs/dbraw/zinc/17/03/80/1223170380.db2.gz XEKCKQBYKUHTAB-OALUTQOASA-N 2 0 370.497 0.773 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779508 1223171712 /nfs/dbraw/zinc/17/17/12/1223171712.db2.gz GXKNWTHGNVEWJV-HBFSDRIKSA-N 2 0 358.486 0.620 20 0 FCADRP CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@H]1c1ccccc1 ZINC001160765587 1223171729 /nfs/dbraw/zinc/17/17/29/1223171729.db2.gz BFEAPDFGIURFCN-BZSNNMDCSA-N 2 0 371.481 0.991 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780911 1223172447 /nfs/dbraw/zinc/17/24/47/1223172447.db2.gz ZRBFONGZYVKDQB-DKXUYOFUSA-N 2 0 372.513 0.864 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780960 1223172730 /nfs/dbraw/zinc/17/27/30/1223172730.db2.gz JMJJFLSSBINOIO-VIPLHTEESA-N 2 0 357.454 0.385 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]3([NH3+])CCc4ccccc43)C[C@H]1C2 ZINC001160793972 1223173059 /nfs/dbraw/zinc/17/30/59/1223173059.db2.gz JESYHPPRCBEQJS-MHBJJYSDSA-N 2 0 369.465 0.644 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc([C@@H](N)C[NH3+])cc3)C[C@H]1C2 ZINC001160800241 1223173660 /nfs/dbraw/zinc/17/36/60/1223173660.db2.gz RJLSSABPKPZLDQ-SUFIHLRJSA-N 2 0 372.469 0.116 20 0 FCADRP CO[C@@H](CN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904449 1223180434 /nfs/dbraw/zinc/18/04/34/1223180434.db2.gz GJYAZLGVERONRY-MSOLQXFVSA-N 2 0 358.486 0.327 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)N(c2ncccn2)C2C[NH2+]C2)c2ccccc21 ZINC001160915735 1223180599 /nfs/dbraw/zinc/18/05/99/1223180599.db2.gz KXHNGDBYMZMZGK-INIZCTEOSA-N 2 0 350.426 0.843 20 0 FCADRP COCCOc1cccc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)c1 ZINC001160943065 1223181210 /nfs/dbraw/zinc/18/12/10/1223181210.db2.gz HCFOMLRYKLJVET-SFHVURJKSA-N 2 0 374.485 0.169 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001160939765 1223181261 /nfs/dbraw/zinc/18/12/61/1223181261.db2.gz FMMZLVTYOVWMIF-LJQANCHMSA-N 2 0 358.486 0.617 20 0 FCADRP O=C([C@@H](c1ccco1)N1CCC[NH2+]CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999554 1223182540 /nfs/dbraw/zinc/18/25/40/1223182540.db2.gz HLCCRMXINNQYFG-IAGOWNOFSA-N 2 0 362.474 0.331 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)CC(F)(F)C1 ZINC001160972253 1223182671 /nfs/dbraw/zinc/18/26/71/1223182671.db2.gz ITMCPMLJSHWOKY-CQSZACIVSA-N 2 0 366.412 0.977 20 0 FCADRP O=C([C@H]1Oc2ccccc2C12CC[NH2+]CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001490 1223182999 /nfs/dbraw/zinc/18/29/99/1223182999.db2.gz YPXKPNQGCMPDIB-ZWKOTPCHSA-N 2 0 371.481 0.784 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010082 1223183019 /nfs/dbraw/zinc/18/30/19/1223183019.db2.gz GJJZYEOHVKRZHF-INIZCTEOSA-N 2 0 370.453 0.944 20 0 FCADRP Nc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001161077639 1223185237 /nfs/dbraw/zinc/18/52/37/1223185237.db2.gz WXVSGZOTPFWJRP-ROUUACIJSA-N 2 0 373.501 0.601 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161157792 1223187623 /nfs/dbraw/zinc/18/76/23/1223187623.db2.gz JVAHYATYZNXZPG-UZLBHIALSA-N 2 0 374.485 0.453 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161159134 1223187687 /nfs/dbraw/zinc/18/76/87/1223187687.db2.gz VLQVUIBLFUWKAU-MRXNPFEDSA-N 2 0 358.442 0.845 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001161158165 1223187830 /nfs/dbraw/zinc/18/78/30/1223187830.db2.gz QENKBMPGHBYLBN-INIZCTEOSA-N 2 0 358.442 0.845 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161159133 1223187833 /nfs/dbraw/zinc/18/78/33/1223187833.db2.gz VLQVUIBLFUWKAU-INIZCTEOSA-N 2 0 358.442 0.845 20 0 FCADRP O=C([C@H]1[NH2+][C@H]2CC[C@@H]1C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196400 1223188752 /nfs/dbraw/zinc/18/87/52/1223188752.db2.gz GESAJLBNCIGERN-QYZOEREBSA-N 2 0 364.534 0.677 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196817 1223188889 /nfs/dbraw/zinc/18/88/89/1223188889.db2.gz SGNXGKLKWCRJDK-IEBWSBKVSA-N 2 0 366.550 0.925 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc(=O)oc2c1 ZINC001161231764 1223191523 /nfs/dbraw/zinc/19/15/23/1223191523.db2.gz PYCUWVSLVWLYHW-MKBNYLNASA-N 2 0 359.426 0.880 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269471 1223193538 /nfs/dbraw/zinc/19/35/38/1223193538.db2.gz DXKFAXCPEKGLEC-INIZCTEOSA-N 2 0 369.510 0.078 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274182 1223193573 /nfs/dbraw/zinc/19/35/73/1223193573.db2.gz PYNPXUSDVCDKCZ-XIRDDKMYSA-N 2 0 359.474 0.500 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274790 1223193589 /nfs/dbraw/zinc/19/35/89/1223193589.db2.gz YVRVUJHNGFOIBV-IRXDYDNUSA-N 2 0 361.490 0.652 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001161302362 1223194858 /nfs/dbraw/zinc/19/48/58/1223194858.db2.gz KFLMIDGDRNSMLO-UGSOOPFHSA-N 2 0 361.490 0.965 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161308965 1223195238 /nfs/dbraw/zinc/19/52/38/1223195238.db2.gz JWHFMBMAJSWEOE-MRXNPFEDSA-N 3 0 362.478 0.206 20 0 FCADRP COc1cc(N2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)ccn1 ZINC001161306814 1223195276 /nfs/dbraw/zinc/19/52/76/1223195276.db2.gz ZVWIIPLRPFFLDO-MRXNPFEDSA-N 2 0 359.474 0.613 20 0 FCADRP Cc1cccc(N(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C2CC[NH2+]CC2)n1 ZINC001161302151 1223195360 /nfs/dbraw/zinc/19/53/60/1223195360.db2.gz HJKYSAWZUBBHPA-INIZCTEOSA-N 2 0 361.490 0.965 20 0 FCADRP CC(C)N(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC001161354187 1223196603 /nfs/dbraw/zinc/19/66/03/1223196603.db2.gz IWJNSVCNVGIJFK-BBRMVZONSA-N 2 0 358.446 0.603 20 0 FCADRP CCN(C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161352405 1223196661 /nfs/dbraw/zinc/19/66/61/1223196661.db2.gz VXOOHLLPNHGFJZ-CZUORRHYSA-N 2 0 358.446 0.604 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376591 1223197385 /nfs/dbraw/zinc/19/73/85/1223197385.db2.gz BLWUBYGSDZDWCS-RDJZCZTQSA-N 2 0 356.474 0.457 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386934 1223197771 /nfs/dbraw/zinc/19/77/71/1223197771.db2.gz NPMFZVWDVIADOA-MRXNPFEDSA-N 3 0 364.469 0.056 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412955 1223198374 /nfs/dbraw/zinc/19/83/74/1223198374.db2.gz MYFKBUQNDMRPAD-QXKUPLGCSA-N 2 0 366.506 0.316 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412953 1223198633 /nfs/dbraw/zinc/19/86/33/1223198633.db2.gz MYFKBUQNDMRPAD-QMHWVQJVSA-N 2 0 366.506 0.316 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161413065 1223198655 /nfs/dbraw/zinc/19/86/55/1223198655.db2.gz NURULEVTJUPLON-ZRSRNVLSSA-N 2 0 370.497 0.743 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CC1=O)[C@H]1CCC[NH2+]C1 ZINC001161444067 1223198829 /nfs/dbraw/zinc/19/88/29/1223198829.db2.gz BDZHKSNXEXGQIN-RBUKOAKNSA-N 2 0 372.513 0.830 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccnc1O[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161449714 1223199826 /nfs/dbraw/zinc/19/98/26/1223199826.db2.gz QJTUVTOOABKJER-CVEARBPZSA-N 3 0 361.490 0.578 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161445048 1223199875 /nfs/dbraw/zinc/19/98/75/1223199875.db2.gz MOGBBDTWSSFZJA-IEBWSBKVSA-N 4 0 365.566 0.593 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c3ncccc13)CC2 ZINC001161478214 1223200887 /nfs/dbraw/zinc/20/08/87/1223200887.db2.gz LKVZEVNBPBHHGM-QMTMVMCOSA-N 2 0 371.441 0.186 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161481491 1223201214 /nfs/dbraw/zinc/20/12/14/1223201214.db2.gz XZWGOEMPMPVGHG-ZJNRKIDTSA-N 2 0 369.462 0.060 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510339 1223202411 /nfs/dbraw/zinc/20/24/11/1223202411.db2.gz NOKRXSBNDGKIRP-GVDBMIGSSA-N 2 0 373.453 0.094 20 0 FCADRP COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001161572428 1223204660 /nfs/dbraw/zinc/20/46/60/1223204660.db2.gz NWASEPUTPUAURS-INIZCTEOSA-N 2 0 358.442 0.627 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596772 1223205578 /nfs/dbraw/zinc/20/55/78/1223205578.db2.gz AZNJCZJGIQQEPZ-SFHVURJKSA-N 3 0 357.502 0.358 20 0 FCADRP COC(=O)C1CCN(c2nccnc2NCCC[NH2+]CCCC[NH3+])CC1 ZINC001162292888 1223213546 /nfs/dbraw/zinc/21/35/46/1223213546.db2.gz RQNBARXDFXSRCQ-UHFFFAOYSA-N 2 0 364.494 0.997 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001162537588 1223218117 /nfs/dbraw/zinc/21/81/17/1223218117.db2.gz ORSKRWCFNYRTDL-LBPRGKRZSA-N 2 0 355.402 0.975 20 0 FCADRP [NH3+]C[C@@H](CO)c1ccc(Nc2ncccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC001163054022 1223225217 /nfs/dbraw/zinc/22/52/17/1223225217.db2.gz VRRAQBGBIUNSDF-HNNXBMFYSA-N 2 0 355.442 0.905 20 0 FCADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163163725 1223227696 /nfs/dbraw/zinc/22/76/96/1223227696.db2.gz LCKLYMWYQDIQSC-ZACQAIPSSA-N 2 0 360.506 0.997 20 0 FCADRP COC(=O)c1ccc([C@H]([NH3+])CNc2ccc(N3CC[NH2+]CC3)nn2)cc1 ZINC001163462870 1223230848 /nfs/dbraw/zinc/23/08/48/1223230848.db2.gz WRQPDVUIXFLYEA-OAHLLOKOSA-N 2 0 356.430 0.785 20 0 FCADRP CCOC(=O)[C@]12CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]1C[NH2+]CC2 ZINC001165170563 1223243202 /nfs/dbraw/zinc/24/32/02/1223243202.db2.gz UHWRTZFLZQPYCG-HNAYVOBHSA-N 2 0 374.489 0.207 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001165407235 1223245922 /nfs/dbraw/zinc/24/59/22/1223245922.db2.gz DXYBYWOGYYCROH-AEGPPILISA-N 2 0 360.462 0.134 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2cc3c(nn2)CC[NH2+]C3)nc1 ZINC001165802201 1223257057 /nfs/dbraw/zinc/25/70/57/1223257057.db2.gz WDQFFTKGIXNNBD-JLJPHGGASA-N 2 0 367.457 0.675 20 0 FCADRP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001205226293 1223317997 /nfs/dbraw/zinc/31/79/97/1223317997.db2.gz ORUKJJNZUVGGGO-QXAKKESOSA-N 2 0 363.502 0.781 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334037 1223320030 /nfs/dbraw/zinc/32/00/30/1223320030.db2.gz AEWBLFGGSQNFSO-NVXWUHKLSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205448161 1223323997 /nfs/dbraw/zinc/32/39/97/1223323997.db2.gz BBEQTGPLFCBHMS-FHLIZLRMSA-N 2 0 367.465 0.669 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205452393 1223324468 /nfs/dbraw/zinc/32/44/68/1223324468.db2.gz DEUHSUFKVCGESK-XOKHGSTOSA-N 2 0 364.465 0.925 20 0 FCADRP CCS(=O)(=O)NCCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001691747776 1223435727 /nfs/dbraw/zinc/43/57/27/1223435727.db2.gz DVCUXMVAUFRGIJ-ILXRZTDVSA-N 2 0 362.540 0.091 20 0 FCADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435333 1223446410 /nfs/dbraw/zinc/44/64/10/1223446410.db2.gz LFQOWHABDQTIHZ-FQEVSTJZSA-N 2 0 371.485 0.721 20 0 FCADRP O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436396 1223446621 /nfs/dbraw/zinc/44/66/21/1223446621.db2.gz BBTWJTJRFPYQRU-SZMVWBNQSA-N 2 0 359.474 0.685 20 0 FCADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+](CC4CC[NH2+]CC4)C[C@@H]32)cn1 ZINC001207437771 1223446901 /nfs/dbraw/zinc/44/69/01/1223446901.db2.gz ZCWUYHOITLBVPU-RYQLBKOJSA-N 2 0 361.490 0.486 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859764 1223487157 /nfs/dbraw/zinc/48/71/57/1223487157.db2.gz WQZUBFGNDWJTCC-BRWVUGGUSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036483 1223508043 /nfs/dbraw/zinc/50/80/43/1223508043.db2.gz MKOQCOMXBXYBIK-LGFHUAIBSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001208070363 1223513202 /nfs/dbraw/zinc/51/32/02/1223513202.db2.gz KGQMIFDAYBRNPB-RBSFLKMASA-N 2 0 360.462 0.336 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281296 1223529756 /nfs/dbraw/zinc/52/97/56/1223529756.db2.gz BEFNOXKZYSCIRA-IXDOHACOSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425589 1223543424 /nfs/dbraw/zinc/54/34/24/1223543424.db2.gz OYVDAFBUFBFUOK-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495873 1223550851 /nfs/dbraw/zinc/55/08/51/1223550851.db2.gz BBFSYERDIXEGMK-BFYDXBDKSA-N 2 0 367.465 0.954 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610628 1223562194 /nfs/dbraw/zinc/56/21/94/1223562194.db2.gz RIXDDPQJGOUTNA-QBPKDAKJSA-N 2 0 359.474 0.951 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612064 1223563888 /nfs/dbraw/zinc/56/38/88/1223563888.db2.gz DUZMUOAUMCMKJH-XGXHKWSGSA-N 2 0 373.501 0.885 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613364 1223564046 /nfs/dbraw/zinc/56/40/46/1223564046.db2.gz MWHSCRGHSAXSIB-LSTDLKDCSA-N 2 0 373.501 0.885 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CCN2CCOCC2)CC1 ZINC001209289468 1223608347 /nfs/dbraw/zinc/60/83/47/1223608347.db2.gz CKLFUHWXDPPRGW-RTBURBONSA-N 2 0 364.534 0.726 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCOC[C@]3(CC(=O)N(CC(F)F)C3)C2)CC1 ZINC001276637171 1223614805 /nfs/dbraw/zinc/61/48/05/1223614805.db2.gz XCDVKLXFXPGYDD-GOSISDBHSA-N 2 0 374.476 0.440 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CC(=O)N3CCOCC3)CC2)C1=O ZINC001276675517 1223657983 /nfs/dbraw/zinc/65/79/83/1223657983.db2.gz BIJFUPOZYKCDSF-IBGZPJMESA-N 2 0 366.506 0.111 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210041530 1223663073 /nfs/dbraw/zinc/66/30/73/1223663073.db2.gz SPXPPUQXATUDKQ-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528712 1223695458 /nfs/dbraw/zinc/69/54/58/1223695458.db2.gz CWUBXXHOMWAQSV-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001210538541 1223696625 /nfs/dbraw/zinc/69/66/25/1223696625.db2.gz CWKZRPRXVWHKCW-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3cncn3C)C2)n1 ZINC001210723330 1223704622 /nfs/dbraw/zinc/70/46/22/1223704622.db2.gz KJNVEEMXYQNJSC-CXAGYDPISA-N 2 0 359.478 0.698 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001213555606 1223813009 /nfs/dbraw/zinc/81/30/09/1223813009.db2.gz WLIXXNCADIPZMY-USXIJHARSA-N 2 0 367.494 0.035 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576552 1223816217 /nfs/dbraw/zinc/81/62/17/1223816217.db2.gz QDXXQCKMVRTAHM-RCCFBDPRSA-N 2 0 371.522 0.465 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638552 1223825983 /nfs/dbraw/zinc/82/59/83/1223825983.db2.gz UAFDPLAHCLVWAE-QZTJIDSGSA-N 2 0 371.522 0.585 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759769 1223845461 /nfs/dbraw/zinc/84/54/61/1223845461.db2.gz ZSVVTDJMGOMOJN-BRWVUGGUSA-N 2 0 370.538 0.694 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765004 1223846051 /nfs/dbraw/zinc/84/60/51/1223846051.db2.gz OTDNHGYWSOWELO-ARFHVFGLSA-N 2 0 364.494 0.313 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)on1 ZINC001214662102 1223930054 /nfs/dbraw/zinc/93/00/54/1223930054.db2.gz UKCAWPWGRQPENH-NMFUWQPSSA-N 2 0 363.462 0.698 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001214665522 1223930846 /nfs/dbraw/zinc/93/08/46/1223930846.db2.gz DREMGJIUGZFBEK-BZZMCLGOSA-N 2 0 368.522 0.306 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001214754930 1223938653 /nfs/dbraw/zinc/93/86/53/1223938653.db2.gz LRSRSLMIJSWUKJ-QLFBSQMISA-N 2 0 370.469 0.252 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001214780221 1223941735 /nfs/dbraw/zinc/94/17/35/1223941735.db2.gz PWWPYTGPQVNIKU-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214849970 1223947877 /nfs/dbraw/zinc/94/78/77/1223947877.db2.gz MCILYBSJIQPFKP-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847636 1223948080 /nfs/dbraw/zinc/94/80/80/1223948080.db2.gz LZESBWOQOBHHCJ-HZSPNIEDSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214855710 1223948641 /nfs/dbraw/zinc/94/86/41/1223948641.db2.gz LRBJZAZTZIJRCO-MZMPZRCHSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214948638 1223958514 /nfs/dbraw/zinc/95/85/14/1223958514.db2.gz UWPCNJPGNKHFJP-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1)[NH+](C)C ZINC001214952740 1223959295 /nfs/dbraw/zinc/95/92/95/1223959295.db2.gz KHTDNVGDBBMEKI-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1)[NH+](C)C ZINC001214954958 1223959303 /nfs/dbraw/zinc/95/93/03/1223959303.db2.gz MIOLYNAAHCXQKW-KCPJHIHWSA-N 2 0 364.494 0.742 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1)[NH+](C)C ZINC001214953055 1223959406 /nfs/dbraw/zinc/95/94/06/1223959406.db2.gz ZAZKKOHEJPAEJO-MGPQQGTHSA-N 2 0 369.510 0.387 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056725 1223968898 /nfs/dbraw/zinc/96/88/98/1223968898.db2.gz DOMQCXRFQLLFPQ-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(=O)N(C)C ZINC001215121724 1223975286 /nfs/dbraw/zinc/97/52/86/1223975286.db2.gz FTIOVJROZAPOKQ-JKIFEVAISA-N 2 0 370.457 0.794 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215200126 1223981572 /nfs/dbraw/zinc/98/15/72/1223981572.db2.gz QDSIEIVUKAIJHN-OWCLPIDISA-N 2 0 363.506 0.950 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215200130 1223981918 /nfs/dbraw/zinc/98/19/18/1223981918.db2.gz QNJKFPSKNRCCGF-HUUCEWRRSA-N 2 0 364.494 0.497 20 0 FCADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215225967 1223983519 /nfs/dbraw/zinc/98/35/19/1223983519.db2.gz ANUDWLLBZQCIDK-KZNAEPCWSA-N 2 0 371.522 0.587 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1C ZINC001215226826 1223983694 /nfs/dbraw/zinc/98/36/94/1223983694.db2.gz UFLKBEHIEUQHDS-OIISXLGYSA-N 2 0 366.506 0.060 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215299133 1223991242 /nfs/dbraw/zinc/99/12/42/1223991242.db2.gz YPHJNJNILQXMFK-MGPQQGTHSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215413422 1223997806 /nfs/dbraw/zinc/99/78/06/1223997806.db2.gz FVANJSYWKZDDKK-GDBMZVCRSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)no1 ZINC001215540029 1224005318 /nfs/dbraw/zinc/00/53/18/1224005318.db2.gz GSWCYSOAVSXTQP-GZBFAFLISA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215540986 1224005391 /nfs/dbraw/zinc/00/53/91/1224005391.db2.gz UBBXQLUMKDZUNZ-RRFJBIMHSA-N 2 0 360.462 0.193 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1)[NH+]1CCCC1 ZINC001215599157 1224008602 /nfs/dbraw/zinc/00/86/02/1224008602.db2.gz SYPZPRVJBITSRB-SOLBZPMBSA-N 2 0 363.506 0.858 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099217 1224034136 /nfs/dbraw/zinc/03/41/36/1224034136.db2.gz KWAQGKFABNQADF-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001216400847 1224048797 /nfs/dbraw/zinc/04/87/97/1224048797.db2.gz AUYCJYCCLOPBGT-RHSMWYFYSA-N 2 0 362.474 0.300 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001216757569 1224068779 /nfs/dbraw/zinc/06/87/79/1224068779.db2.gz CXSRCFYLWHGIEG-JFIYKMOQSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001216757817 1224069647 /nfs/dbraw/zinc/06/96/47/1224069647.db2.gz NAXHRHPNAZOJGC-NVXWUHKLSA-N 2 0 362.474 0.770 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(-c4nnn5c4C[NH2+]CC5)n3)c2)CC1 ZINC001217217488 1224094833 /nfs/dbraw/zinc/09/48/33/1224094833.db2.gz OWGSXPXLTKDEFW-UHFFFAOYSA-N 2 0 366.429 0.850 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000983929370 1248791433 /nfs/dbraw/zinc/79/14/33/1248791433.db2.gz NODHRBZNENJNMZ-IKGGRYGDSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993324586 1249471121 /nfs/dbraw/zinc/47/11/21/1249471121.db2.gz WOAFZOUSJMIYFV-ZFCANOHDSA-N 2 0 373.501 0.989 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000847500438 1245341300 /nfs/dbraw/zinc/34/13/00/1245341300.db2.gz JCYUZJQALHQTBL-HXUWFJFHSA-N 2 0 374.529 0.927 20 0 FCADRP NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000849089110 1245391875 /nfs/dbraw/zinc/39/18/75/1245391875.db2.gz UIXHASCSQOYKNX-IAGOWNOFSA-N 2 0 359.474 0.798 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563228 1245455048 /nfs/dbraw/zinc/45/50/48/1245455048.db2.gz BFKPWNGOTRLXEW-SJORKVTESA-N 2 0 367.538 0.470 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)C2C[NH+](C3CCOCC3)C2)ccn1 ZINC000897256313 1245468269 /nfs/dbraw/zinc/46/82/69/1245468269.db2.gz FGDUIGMSXXZXOI-UHFFFAOYSA-N 2 0 362.474 0.749 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000911506173 1245502928 /nfs/dbraw/zinc/50/29/28/1245502928.db2.gz IQGMCEBPOBYGIW-DLBZAZTESA-N 2 0 356.470 0.574 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000917085095 1245548877 /nfs/dbraw/zinc/54/88/77/1245548877.db2.gz XBDWSIFVCPTJOW-IAGOWNOFSA-N 2 0 357.502 0.918 20 0 FCADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000919517000 1245606588 /nfs/dbraw/zinc/60/65/88/1245606588.db2.gz FVKJTUKLGVLTHS-DLBZAZTESA-N 2 0 367.538 0.946 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000922342414 1245671226 /nfs/dbraw/zinc/67/12/26/1245671226.db2.gz ZVWBJIVFSVOFRF-QYZOEREBSA-N 2 0 364.534 0.916 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000922345330 1245672511 /nfs/dbraw/zinc/67/25/11/1245672511.db2.gz CXJLZPIOQDFUNA-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000923480523 1245725372 /nfs/dbraw/zinc/72/53/72/1245725372.db2.gz ACXHFDXYCWRXSP-KRWDZBQOSA-N 2 0 360.502 0.806 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000925003436 1245737235 /nfs/dbraw/zinc/73/72/35/1245737235.db2.gz UXXXPYZOAJSJOQ-IRXDYDNUSA-N 2 0 358.486 0.998 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000938608902 1245887576 /nfs/dbraw/zinc/88/75/76/1245887576.db2.gz FCEQUYAJXHBFHU-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000939593425 1246099299 /nfs/dbraw/zinc/09/92/99/1246099299.db2.gz PDTNPVWBVCZSBI-FVQBIDKESA-N 2 0 362.474 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217516 1250289835 /nfs/dbraw/zinc/28/98/35/1250289835.db2.gz NPBKJVPQSKTNLI-JFIYKMOQSA-N 2 0 364.534 0.881 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946426284 1247808799 /nfs/dbraw/zinc/80/87/99/1247808799.db2.gz IJWXKTTUYKROKY-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946429829 1247813186 /nfs/dbraw/zinc/81/31/86/1247813186.db2.gz CWAGRUVCYQKPKN-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595037 1247907829 /nfs/dbraw/zinc/90/78/29/1247907829.db2.gz GFFIYMJZWZJNAJ-SFFUCWETSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597675 1247911237 /nfs/dbraw/zinc/91/12/37/1247911237.db2.gz FROMJGCSEVCTCJ-RZFLPCETSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001327865261 1265445337 /nfs/dbraw/zinc/44/53/37/1265445337.db2.gz XRRSFKMQMWTEFC-GOSISDBHSA-N 2 0 368.522 0.728 20 0 FCADRP [NH3+]CCN(CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC001327931693 1265457470 /nfs/dbraw/zinc/45/74/70/1265457470.db2.gz AWOMASHRJZVXPA-LJQANCHMSA-N 2 0 360.502 0.817 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976986277 1248509441 /nfs/dbraw/zinc/50/94/41/1248509441.db2.gz HJMNCBDJGZTRPQ-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1C ZINC000977208559 1248576443 /nfs/dbraw/zinc/57/64/43/1248576443.db2.gz NUTGJUITHMKZHB-WMOPWKTHSA-N 2 0 362.518 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995843270 1251004912 /nfs/dbraw/zinc/00/49/12/1251004912.db2.gz WKPMTCLRAJIUHL-ARFHVFGLSA-N 2 0 365.522 0.569 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC000996544838 1251377930 /nfs/dbraw/zinc/37/79/30/1251377930.db2.gz LTSQKUPYIRAESY-BDXSIMOUSA-N 2 0 362.518 0.918 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCCO1 ZINC001328606940 1265585883 /nfs/dbraw/zinc/58/58/83/1265585883.db2.gz SELSPDJNYCAQNX-ROUUACIJSA-N 2 0 357.458 0.377 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328606969 1265586224 /nfs/dbraw/zinc/58/62/24/1265586224.db2.gz SUGZHJCHMQTEFP-KRWDZBQOSA-N 2 0 372.517 0.979 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997885595 1251736249 /nfs/dbraw/zinc/73/62/49/1251736249.db2.gz IAHADERASOILJJ-RANZSIQMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656558 1251941832 /nfs/dbraw/zinc/94/18/32/1251941832.db2.gz TXJBQABFHJYJRH-NCOADZHNSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001001698215 1252308159 /nfs/dbraw/zinc/30/81/59/1252308159.db2.gz JUOPBVLLESJJMF-WCXIOVBPSA-N 2 0 360.502 0.957 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001002793571 1252676320 /nfs/dbraw/zinc/67/63/20/1252676320.db2.gz BOQJRBVRYRTUHF-HZMVEIRTSA-N 2 0 362.518 0.918 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001002792979 1252676842 /nfs/dbraw/zinc/67/68/42/1252676842.db2.gz ZDVJWVCYBFDRRZ-MMNPAVHPSA-N 2 0 371.485 0.961 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001003862190 1253128017 /nfs/dbraw/zinc/12/80/17/1253128017.db2.gz HRTLOZUTHBKLSJ-NCOADZHNSA-N 2 0 360.502 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001005416340 1253550114 /nfs/dbraw/zinc/55/01/14/1253550114.db2.gz UKSNGYCUHNDQRR-XHSDSOJGSA-N 2 0 364.490 0.445 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842710 1265782836 /nfs/dbraw/zinc/78/28/36/1265782836.db2.gz ZESDSLCMKSESGG-BEFAXECRSA-N 2 0 358.486 0.970 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001329568612 1265784557 /nfs/dbraw/zinc/78/45/57/1265784557.db2.gz JTEYUUQPUCYJKS-MOPGFXCFSA-N 2 0 370.501 0.163 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055980745 1254091578 /nfs/dbraw/zinc/09/15/78/1254091578.db2.gz QFGXDHFWSQVRKE-GPMSIDNRSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001520304523 1265902429 /nfs/dbraw/zinc/90/24/29/1265902429.db2.gz VUJOQAWYLLTKDJ-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077570845 1254711070 /nfs/dbraw/zinc/71/10/70/1254711070.db2.gz BPRXPUFWGGPFFD-WQANXHIZSA-N 2 0 361.486 0.571 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)cn1 ZINC001077817158 1255019154 /nfs/dbraw/zinc/01/91/54/1255019154.db2.gz QHGZQTMMLAMNLV-QZTJIDSGSA-N 2 0 357.458 0.420 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)cn1 ZINC001077816934 1255019503 /nfs/dbraw/zinc/01/95/03/1255019503.db2.gz DPQCJNDIPDXYDU-RTBURBONSA-N 2 0 371.485 0.462 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078006115 1255162455 /nfs/dbraw/zinc/16/24/55/1255162455.db2.gz SMRPFCGWCKDLOB-BHIYHBOVSA-N 2 0 360.502 0.756 20 0 FCADRP CCn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405231 1255408471 /nfs/dbraw/zinc/40/84/71/1255408471.db2.gz IQEWBMGHSQVZEU-BPQIPLTHSA-N 2 0 363.506 0.950 20 0 FCADRP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405255 1255408573 /nfs/dbraw/zinc/40/85/73/1255408573.db2.gz JJVDGFNDRIXFOC-BRWVUGGUSA-N 2 0 363.506 0.950 20 0 FCADRP C[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001079142649 1255456741 /nfs/dbraw/zinc/45/67/41/1255456741.db2.gz NAMOFMHKXZUCPC-RTBURBONSA-N 2 0 361.486 0.394 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079197609 1255470970 /nfs/dbraw/zinc/47/09/70/1255470970.db2.gz SGZVKFOCIYAVQZ-LZLYRXPVSA-N 2 0 364.465 0.781 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079246157 1255486083 /nfs/dbraw/zinc/48/60/83/1255486083.db2.gz SOWIGNMQZXXDNY-OKZBNKHCSA-N 2 0 365.518 0.793 20 0 FCADRP O=C(N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)C12CC[NH+](CC1)C2 ZINC001079270468 1255495942 /nfs/dbraw/zinc/49/59/42/1255495942.db2.gz SYFQDPZUFJBZPA-DLBZAZTESA-N 2 0 363.502 0.404 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710395 1255583087 /nfs/dbraw/zinc/58/30/87/1255583087.db2.gz GTQXYHSWXGRTDN-ZTFGCOKTSA-N 2 0 358.486 0.664 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717480 1255585518 /nfs/dbraw/zinc/58/55/18/1255585518.db2.gz KJGFKDIWILGFLJ-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806584 1255614675 /nfs/dbraw/zinc/61/46/75/1255614675.db2.gz NNKUDVBNZGXCAV-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080106921 1255746776 /nfs/dbraw/zinc/74/67/76/1255746776.db2.gz GIXUONYOEIYXSY-RHSMWYFYSA-N 2 0 366.429 0.609 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164526 1255768704 /nfs/dbraw/zinc/76/87/04/1255768704.db2.gz FUVPMHJDPYSHOL-LVPSCPSHSA-N 2 0 356.470 0.881 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080557186 1255931058 /nfs/dbraw/zinc/93/10/58/1255931058.db2.gz JRMVHSDFUHXPMO-DJIMGWMZSA-N 2 0 360.506 0.934 20 0 FCADRP CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080919480 1256093663 /nfs/dbraw/zinc/09/36/63/1256093663.db2.gz DMOJQKLXLKNUGU-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999006 1256133307 /nfs/dbraw/zinc/13/33/07/1256133307.db2.gz XVDZUBLWECOWMU-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081095823 1256174766 /nfs/dbraw/zinc/17/47/66/1256174766.db2.gz WGHZREKIANCNFP-OTWHNJEPSA-N 2 0 368.485 0.957 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccccc1 ZINC001081140289 1256191696 /nfs/dbraw/zinc/19/16/96/1256191696.db2.gz SJRDKYMXXBEKGQ-DLBZAZTESA-N 2 0 356.470 0.684 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052498 1256511619 /nfs/dbraw/zinc/51/16/19/1256511619.db2.gz FPMSCVNYXPALSK-RCCFBDPRSA-N 2 0 363.506 0.821 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052494 1256511871 /nfs/dbraw/zinc/51/18/71/1256511871.db2.gz FPMSCVNYXPALSK-KZNAEPCWSA-N 2 0 363.506 0.821 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066391 1256519488 /nfs/dbraw/zinc/51/94/88/1256519488.db2.gz OJOZNZPLSNICRH-CWLKWCNXSA-N 2 0 363.506 0.508 20 0 FCADRP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515742 1256800155 /nfs/dbraw/zinc/80/01/55/1256800155.db2.gz XAWKEXYKMARKKP-XOKHGSTOSA-N 2 0 359.474 0.764 20 0 FCADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001330593689 1266065721 /nfs/dbraw/zinc/06/57/21/1266065721.db2.gz ARGYBAGTJKUZCF-INIZCTEOSA-N 2 0 363.510 0.258 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082544571 1256834711 /nfs/dbraw/zinc/83/47/11/1256834711.db2.gz IZRIKXOHOYPELG-OAGGEKHMSA-N 2 0 364.490 0.446 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1=O ZINC001082559286 1256858698 /nfs/dbraw/zinc/85/86/98/1256858698.db2.gz ANVQYXMDYHAQJH-CDHAZOANSA-N 2 0 363.458 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082637202 1256944387 /nfs/dbraw/zinc/94/43/87/1256944387.db2.gz RRQBMFHYHWUXAC-FRFSOERESA-N 2 0 368.441 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082653356 1256956841 /nfs/dbraw/zinc/95/68/41/1256956841.db2.gz HALNTWCKGDGUHU-PWRQTXRISA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082663641 1256966003 /nfs/dbraw/zinc/96/60/03/1256966003.db2.gz ZCRMWNMUZJPNAV-DJIMGWMZSA-N 2 0 363.506 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082709802 1257002179 /nfs/dbraw/zinc/00/21/79/1257002179.db2.gz QETQCOSPEWYUEL-KWCYVHTRSA-N 2 0 362.430 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082798362 1257058204 /nfs/dbraw/zinc/05/82/04/1257058204.db2.gz PPDGIMMBGWWDBY-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125025 1266087724 /nfs/dbraw/zinc/08/77/24/1266087724.db2.gz AAJZQQMWAPXJFA-IYBDPMFKSA-N 2 0 370.494 0.234 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082822705 1257081623 /nfs/dbraw/zinc/08/16/23/1257081623.db2.gz XTKASQKTZYYVHO-HZPDHXFCSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001082863202 1257113560 /nfs/dbraw/zinc/11/35/60/1257113560.db2.gz RXXMXMXNUFORCG-GVDBMIGSSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082921408 1257145073 /nfs/dbraw/zinc/14/50/73/1257145073.db2.gz JYTDZIKONMNLTD-HUUCEWRRSA-N 2 0 363.510 0.503 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082920985 1257145628 /nfs/dbraw/zinc/14/56/28/1257145628.db2.gz OOEPMBVJYMRAIL-QLFBSQMISA-N 2 0 363.510 0.359 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082921141 1257145758 /nfs/dbraw/zinc/14/57/58/1257145758.db2.gz YNNPRYBACMAANJ-BPQIPLTHSA-N 2 0 370.497 0.964 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC001521433293 1266120918 /nfs/dbraw/zinc/12/09/18/1266120918.db2.gz FHZOZDJXVADWKG-JTDSTZFVSA-N 2 0 360.502 0.816 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](CCn3cccn3)C[C@H]21 ZINC001084532624 1258154526 /nfs/dbraw/zinc/15/45/26/1258154526.db2.gz HBTAKDXMJXYOCR-MOXMWUHRSA-N 2 0 371.485 0.279 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662279 1258224638 /nfs/dbraw/zinc/22/46/38/1258224638.db2.gz DAXZSZPUCDBIAQ-BMGDILEWSA-N 2 0 360.506 0.769 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001331219547 1266174999 /nfs/dbraw/zinc/17/49/99/1266174999.db2.gz JGINEAOLFSDVFP-KSZLIROESA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CC3CCOCC3)C[C@H]21 ZINC001084833942 1258379667 /nfs/dbraw/zinc/37/96/67/1258379667.db2.gz CLRKRIWYLOSNFY-QXAKKESOSA-N 2 0 365.518 0.914 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]32)cc1=O ZINC001084903649 1258427545 /nfs/dbraw/zinc/42/75/45/1258427545.db2.gz LTASXEJAEPZRJF-KURKYZTESA-N 2 0 358.486 0.902 20 0 FCADRP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001084957585 1258469954 /nfs/dbraw/zinc/46/99/54/1258469954.db2.gz IQRPOSDHOLXNED-NEWSRXKRSA-N 2 0 365.518 0.935 20 0 FCADRP O=C(N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076038 1258572114 /nfs/dbraw/zinc/57/21/14/1258572114.db2.gz FLDFZSWZDIORKG-SJORKVTESA-N 2 0 360.502 0.627 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085201070 1258630204 /nfs/dbraw/zinc/63/02/04/1258630204.db2.gz NQIFTBIJPZLEQW-GVDBMIGSSA-N 2 0 363.506 0.370 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153638 1258666810 /nfs/dbraw/zinc/66/68/10/1258666810.db2.gz DBGHBVSCYRJXBH-XHSDSOJGSA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088157803 1258669493 /nfs/dbraw/zinc/66/94/93/1258669493.db2.gz ILSXPZFLDPCDKR-SQNIBIBYSA-N 2 0 362.518 0.776 20 0 FCADRP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171905 1258693963 /nfs/dbraw/zinc/69/39/63/1258693963.db2.gz MILMHBMDQMPBGL-SJORKVTESA-N 2 0 357.502 0.839 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331395409 1266206148 /nfs/dbraw/zinc/20/61/48/1266206148.db2.gz DIQDSMIZNRKYRS-OKZBNKHCSA-N 2 0 367.538 0.600 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC001331392770 1266207045 /nfs/dbraw/zinc/20/70/45/1266207045.db2.gz IWWJVGBGLBVHAI-SFHVURJKSA-N 2 0 361.490 0.646 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092658168 1258809764 /nfs/dbraw/zinc/80/97/64/1258809764.db2.gz KBYRQXJEYGCXCE-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670898 1258812308 /nfs/dbraw/zinc/81/23/08/1258812308.db2.gz BUVFGOUJPKOCLE-KZNAEPCWSA-N 2 0 362.522 0.940 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001331454114 1266218897 /nfs/dbraw/zinc/21/88/97/1266218897.db2.gz RVYJJSFQSQEOBW-HKUYNNGSSA-N 2 0 365.522 0.178 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828114 1258857180 /nfs/dbraw/zinc/85/71/80/1258857180.db2.gz GHYWOPUOQGLCIH-UKRRQHHQSA-N 2 0 355.442 0.911 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001331449271 1266216843 /nfs/dbraw/zinc/21/68/43/1266216843.db2.gz HEWNZGHIVBXXQW-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331453373 1266218279 /nfs/dbraw/zinc/21/82/79/1266218279.db2.gz IWYILMUOXBXLIV-SQNIBIBYSA-N 2 0 365.522 0.319 20 0 FCADRP CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2 ZINC001105666887 1258922887 /nfs/dbraw/zinc/92/28/87/1258922887.db2.gz KUMHBKWZXIBUJZ-LFGUQSLTSA-N 2 0 367.534 0.941 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106594550 1258926936 /nfs/dbraw/zinc/92/69/36/1258926936.db2.gz VGXPJJODFUOCAE-ZACQAIPSSA-N 2 0 363.506 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001106592414 1258927075 /nfs/dbraw/zinc/92/70/75/1258927075.db2.gz QVMXLGWHBTYITC-ZIAGYGMSSA-N 2 0 364.494 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106594549 1258927375 /nfs/dbraw/zinc/92/73/75/1258927375.db2.gz VGXPJJODFUOCAE-BRWVUGGUSA-N 2 0 363.506 0.270 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666708 1258936888 /nfs/dbraw/zinc/93/68/88/1258936888.db2.gz RFHJUXSAOJPDBR-BRWVUGGUSA-N 2 0 367.538 0.720 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106729356 1258948968 /nfs/dbraw/zinc/94/89/68/1258948968.db2.gz OJSSVWCHILMJTQ-RBSFLKMASA-N 2 0 367.494 0.128 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106779751 1258961437 /nfs/dbraw/zinc/96/14/37/1258961437.db2.gz VDOZSTPYHMXOKR-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106797515 1258965620 /nfs/dbraw/zinc/96/56/20/1258965620.db2.gz PEMZREPHASJCGZ-SJLPKXTDSA-N 2 0 364.534 0.929 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808684 1258967752 /nfs/dbraw/zinc/96/77/52/1258967752.db2.gz SZHQBKLLWRQOOQ-HZPDHXFCSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106874665 1258984696 /nfs/dbraw/zinc/98/46/96/1258984696.db2.gz OTLNKHRGNKMPJG-BPQIPLTHSA-N 2 0 364.534 0.881 20 0 FCADRP Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106880196 1258986297 /nfs/dbraw/zinc/98/62/97/1258986297.db2.gz DBFOPISRMXNCJH-CRAIPNDOSA-N 2 0 365.522 0.762 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106903971 1258992624 /nfs/dbraw/zinc/99/26/24/1258992624.db2.gz UAGPCBHRBFYUCU-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106906102 1258993600 /nfs/dbraw/zinc/99/36/00/1258993600.db2.gz XDBQHYNITDNIND-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107036156 1259022022 /nfs/dbraw/zinc/02/20/22/1259022022.db2.gz FXUGGFIYWQLUNS-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2)[NH+](C)C ZINC001107450144 1259092182 /nfs/dbraw/zinc/09/21/82/1259092182.db2.gz FJWLBMPFHWQZOK-HBUWYVDXSA-N 2 0 367.494 0.143 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485219 1259102061 /nfs/dbraw/zinc/10/20/61/1259102061.db2.gz PJGIFPSQXPDQGV-YVWKXTFCSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2)[NH+](C)C ZINC001107553153 1259115507 /nfs/dbraw/zinc/11/55/07/1259115507.db2.gz FJWLBMPFHWQZOK-PMUMKWKESA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001331576420 1266240804 /nfs/dbraw/zinc/24/08/04/1266240804.db2.gz ZSGSKFMYLRVJEO-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107609189 1259132826 /nfs/dbraw/zinc/13/28/26/1259132826.db2.gz HIQDNCFORUCXIV-ZHALLVOQSA-N 2 0 360.506 0.981 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107634099 1259139465 /nfs/dbraw/zinc/13/94/65/1259139465.db2.gz KKZPPUZYERWEMK-GPMSIDNRSA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CCC1 ZINC001109403410 1259157990 /nfs/dbraw/zinc/15/79/90/1259157990.db2.gz FMHJZFJUKRGJRI-UGUYLWEFSA-N 2 0 358.490 0.971 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C ZINC001127643691 1259182617 /nfs/dbraw/zinc/18/26/17/1259182617.db2.gz HAVBKIAUJAPXBW-RHSMWYFYSA-N 2 0 364.465 0.530 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127707237 1259184762 /nfs/dbraw/zinc/18/47/62/1259184762.db2.gz WTMRFMIEHFXZBR-QLFBSQMISA-N 2 0 369.510 0.293 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004078 1259287499 /nfs/dbraw/zinc/28/74/99/1259287499.db2.gz KZYJAGJHTHUBOF-VQHPVUNQSA-N 2 0 364.494 0.385 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@@H]1n1ccnn1 ZINC001129032286 1259293619 /nfs/dbraw/zinc/29/36/19/1259293619.db2.gz MXKNIZITLMWFNX-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199846 1259343363 /nfs/dbraw/zinc/34/33/63/1259343363.db2.gz MXKTWHYZOWDIIR-NXOAAHMSSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129205283 1259344760 /nfs/dbraw/zinc/34/47/60/1259344760.db2.gz RRZSXTUZRHIREE-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249371 1259375356 /nfs/dbraw/zinc/37/53/56/1259375356.db2.gz ZWSCCNNQVNUYDY-KKUMJFAQSA-N 2 0 364.494 0.491 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001157597289 1259384813 /nfs/dbraw/zinc/38/48/13/1259384813.db2.gz MKHDRCZOLQGNPK-KRWDZBQOSA-N 2 0 367.444 0.364 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001200547118 1259416770 /nfs/dbraw/zinc/41/67/70/1259416770.db2.gz MPNLBVDXKUJOSU-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555243 1259416893 /nfs/dbraw/zinc/41/68/93/1259416893.db2.gz PLFNVAHUWVVJLP-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cccn3)C2)CC[N@@H+]1C ZINC001200556409 1259417543 /nfs/dbraw/zinc/41/75/43/1259417543.db2.gz YDENVSGSKLCXND-FGTMMUONSA-N 2 0 363.506 0.821 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001200556473 1259417569 /nfs/dbraw/zinc/41/75/69/1259417569.db2.gz ZQNKDSLLKYYJJD-IXDOHACOSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001200556474 1259417975 /nfs/dbraw/zinc/41/79/75/1259417975.db2.gz ZQNKDSLLKYYJJD-YESZJQIVSA-N 2 0 368.522 0.448 20 0 FCADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001200619876 1259418249 /nfs/dbraw/zinc/41/82/49/1259418249.db2.gz NVXIQTZBBYKOEU-AEFFLSMTSA-N 2 0 366.506 0.060 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211713381 1259427535 /nfs/dbraw/zinc/42/75/35/1259427535.db2.gz JMZDIMOUCZKKFX-CEXWTWQISA-N 2 0 363.502 0.920 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670109 1266262077 /nfs/dbraw/zinc/26/20/77/1266262077.db2.gz TXOPRHVHFPFIIZ-KZNAEPCWSA-N 2 0 358.486 0.615 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416830 1259497806 /nfs/dbraw/zinc/49/78/06/1259497806.db2.gz UHUHEFXIPMZMLC-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216226336 1259537429 /nfs/dbraw/zinc/53/74/29/1259537429.db2.gz SRFOWRMDOQKYDH-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP c1cnc(Oc2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)cc2)nc1 ZINC001235869778 1259581811 /nfs/dbraw/zinc/58/18/11/1259581811.db2.gz DVDPBJXIVVJLNE-UHFFFAOYSA-N 2 0 356.474 0.853 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(OC)c(OC)n3)C[C@H]1C2 ZINC001236025406 1259585326 /nfs/dbraw/zinc/58/53/26/1259585326.db2.gz BIGYJGOWVLZNOL-JUIVLLAYSA-N 2 0 361.442 0.929 20 0 FCADRP COc1cc(OC)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1 ZINC001236310413 1259588569 /nfs/dbraw/zinc/58/85/69/1259588569.db2.gz YPMCMQUAFALHBK-UHFFFAOYSA-N 2 0 368.478 0.328 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1cccc(C(=O)NCC[NH3+])c1)CC2 ZINC001237065406 1259595596 /nfs/dbraw/zinc/59/55/96/1259595596.db2.gz UUSZOOHBSUXAEN-APWZRJJASA-N 2 0 360.458 0.102 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001237057742 1259595718 /nfs/dbraw/zinc/59/57/18/1259595718.db2.gz DHDQDEHQOXOTCR-UYAOXDASSA-N 2 0 358.486 0.823 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1cccc(C(=O)NCC[NH3+])c1)CC2 ZINC001237065408 1259595806 /nfs/dbraw/zinc/59/58/06/1259595806.db2.gz UUSZOOHBSUXAEN-QFBILLFUSA-N 2 0 360.458 0.102 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccn4nccc4c3)CC[C@@H]2C1 ZINC001237536776 1259600050 /nfs/dbraw/zinc/60/00/50/1259600050.db2.gz CCGMSBGRFLFECE-IEBWSBKVSA-N 2 0 371.485 0.945 20 0 FCADRP Cc1ncncc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001238164486 1259619916 /nfs/dbraw/zinc/61/99/16/1259619916.db2.gz KYJGSVMWAXHELA-UHFFFAOYSA-N 2 0 360.506 0.455 20 0 FCADRP O=C(c1ccc(-c2cncc(N3CC[NH2+]CC3)n2)cc1)N1CC[NH2+]CC1 ZINC001240113272 1259626452 /nfs/dbraw/zinc/62/64/52/1259626452.db2.gz ZCDBUSJELSILGG-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP C[NH+]1CCN(c2cc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)ncn2)CC1 ZINC001240112668 1259626772 /nfs/dbraw/zinc/62/67/72/1259626772.db2.gz NLUPSTZNFLUCSD-UHFFFAOYSA-N 2 0 366.469 0.941 20 0 FCADRP O=C(c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1)N1CC[NH2+]CC1 ZINC001241900622 1259632029 /nfs/dbraw/zinc/63/20/29/1259632029.db2.gz ZHOHFZZGTHSDQP-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245979573 1259641748 /nfs/dbraw/zinc/64/17/48/1259641748.db2.gz VUWOEIRAUURMPF-WQANXHIZSA-N 3 0 369.456 0.944 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245984723 1259642896 /nfs/dbraw/zinc/64/28/96/1259642896.db2.gz XVCXYAZQDNHBAP-LUKYLMHMSA-N 2 0 371.428 0.326 20 0 FCADRP CCOC(=O)C1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001246018012 1259642995 /nfs/dbraw/zinc/64/29/95/1259642995.db2.gz LIHTUXYFSIJEKY-JKSUJKDBSA-N 2 0 371.428 0.470 20 0 FCADRP CCCOC[C@@H](O)C[NH2+][C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246005187 1259644746 /nfs/dbraw/zinc/64/47/46/1259644746.db2.gz DHJPENFOXZWWGX-DWMDIXPDSA-N 2 0 374.522 0.666 20 0 FCADRP O[C@H](C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246044261 1259646120 /nfs/dbraw/zinc/64/61/20/1259646120.db2.gz FSKGDYRMKMLKSL-SFHVURJKSA-N 3 0 359.514 0.989 20 0 FCADRP COc1cccc(C(=O)N2CCC([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CC2)c1 ZINC001246085519 1259647526 /nfs/dbraw/zinc/64/75/26/1259647526.db2.gz XLFCFGGPTUCFHY-PKOBYXMFSA-N 2 0 365.449 0.952 20 0 FCADRP COc1ccc(C(=O)N2CCC([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246085911 1259647922 /nfs/dbraw/zinc/64/79/22/1259647922.db2.gz BEJUUPSUDQBRLQ-PKOBYXMFSA-N 2 0 365.449 0.952 20 0 FCADRP [NH3+]CCCC[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246190398 1259650602 /nfs/dbraw/zinc/65/06/02/1259650602.db2.gz CSUIBUKWMDHLJE-ROUUACIJSA-N 2 0 360.502 0.911 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246233290 1259651217 /nfs/dbraw/zinc/65/12/17/1259651217.db2.gz ZWUGLDXGDQFLJV-JYJNAYRXSA-N 2 0 369.506 0.970 20 0 FCADRP COC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246328353 1259652345 /nfs/dbraw/zinc/65/23/45/1259652345.db2.gz LHPIBVOCJKAZII-GOSISDBHSA-N 2 0 372.513 0.878 20 0 FCADRP NC(=O)[C@H](CCC(=O)OCc1ccccc1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246390494 1259653207 /nfs/dbraw/zinc/65/32/07/1259653207.db2.gz PDCFWLICKKJYAR-CVEARBPZSA-N 2 0 360.458 0.048 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246665027 1259658895 /nfs/dbraw/zinc/65/88/95/1259658895.db2.gz AJQQCRXENPRJBX-ZHNRDWHQSA-N 2 0 365.474 0.284 20 0 FCADRP CCOC(=O)[C@H]1CCCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679931 1259659987 /nfs/dbraw/zinc/65/99/87/1259659987.db2.gz RDKCEXWIVPOJMB-FUHWJXTLSA-N 2 0 364.534 0.820 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680344 1259660344 /nfs/dbraw/zinc/66/03/44/1259660344.db2.gz VVDCILSAQCHQHO-ODWBRZHOSA-N 2 0 365.474 0.001 20 0 FCADRP O=C([C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693988 1259661859 /nfs/dbraw/zinc/66/18/59/1259661859.db2.gz KITIALFLEGVKHU-DLBZAZTESA-N 2 0 360.502 0.207 20 0 FCADRP O=C([C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693993 1259662422 /nfs/dbraw/zinc/66/24/22/1259662422.db2.gz KITIALFLEGVKHU-IRXDYDNUSA-N 2 0 360.502 0.207 20 0 FCADRP c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)ccn1 ZINC001246697861 1259662892 /nfs/dbraw/zinc/66/28/92/1259662892.db2.gz SHFKHRIDJWTICL-INDMIFKZSA-N 2 0 358.486 0.924 20 0 FCADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246714080 1259667653 /nfs/dbraw/zinc/66/76/53/1259667653.db2.gz IULZNAVWQKTTDK-OKZBNKHCSA-N 2 0 355.486 0.659 20 0 FCADRP CC[C@@H]1[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246719975 1259668770 /nfs/dbraw/zinc/66/87/70/1259668770.db2.gz LHUVMFJNKUOAQA-ZWOKBUDYSA-N 2 0 364.534 0.962 20 0 FCADRP Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719435 1259669246 /nfs/dbraw/zinc/66/92/46/1259669246.db2.gz GCZDXTIXXPCPSR-HNAYVOBHSA-N 2 0 372.517 0.419 20 0 FCADRP Cn1cc(C[N@@H+]2CCCC23CCN([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731156 1259669994 /nfs/dbraw/zinc/66/99/94/1259669994.db2.gz BNPGVBJHCKZGQB-GOSISDBHSA-N 2 0 358.534 0.945 20 0 FCADRP CN(C)C(=O)N[C@H]1COCCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246728082 1259670184 /nfs/dbraw/zinc/67/01/84/1259670184.db2.gz FTDHMRCKDGZWGE-HOTGVXAUSA-N 2 0 365.522 0.223 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724024 1259671465 /nfs/dbraw/zinc/67/14/65/1259671465.db2.gz WIZISKPXLUYQJX-QGZVFWFLSA-N 3 0 374.533 0.383 20 0 FCADRP c1ccc(N2CCOC3(CC[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC3)C2)nc1 ZINC001246739859 1259675281 /nfs/dbraw/zinc/67/52/81/1259675281.db2.gz RVLDXSNKDVMGBE-QGZVFWFLSA-N 2 0 357.502 0.847 20 0 FCADRP O=C(c1ccco1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2C1 ZINC001246738510 1259675446 /nfs/dbraw/zinc/67/54/46/1259675446.db2.gz OAPXEVBROKESRV-SOLBZPMBSA-N 2 0 374.485 0.537 20 0 FCADRP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754812 1259681469 /nfs/dbraw/zinc/68/14/69/1259681469.db2.gz OKVQDOVDGXEXLY-IRXDYDNUSA-N 2 0 373.549 0.101 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]21)N1CCCC1 ZINC001246785888 1259688142 /nfs/dbraw/zinc/68/81/42/1259688142.db2.gz AYAOKEFOGBIJRG-TVFCKZIOSA-N 2 0 362.518 0.430 20 0 FCADRP O=C([C@H]1COc2ccccc2O1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246786370 1259689074 /nfs/dbraw/zinc/68/90/74/1259689074.db2.gz OHTCKARTWUALGA-MAUKXSAKSA-N 2 0 372.469 0.065 20 0 FCADRP COC(=O)[C@H]1C[C@H](N(CC[NH3+])CC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001246830683 1259690320 /nfs/dbraw/zinc/69/03/20/1259690320.db2.gz LLRIHEDQMQIKED-YESZJQIVSA-N 2 0 363.458 0.517 20 0 FCADRP c1ccc(CC[NH+]2CCC(N3CC[NH2+]CCNCC[NH2+]CC3)CC2)cc1 ZINC001246817840 1259690754 /nfs/dbraw/zinc/69/07/54/1259690754.db2.gz ALIFBNZMDKGMGR-UHFFFAOYSA-N 3 0 359.562 0.778 20 0 FCADRP O=C1CC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CCN1Cc1ccccc1 ZINC001246822778 1259691137 /nfs/dbraw/zinc/69/11/37/1259691137.db2.gz SPRKIQOMIIRDBI-HXUWFJFHSA-N 2 0 373.545 0.652 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856600 1259692453 /nfs/dbraw/zinc/69/24/53/1259692453.db2.gz FHNMVGSNRUQDOG-XDPVHMEUSA-N 2 0 360.462 0.487 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCC([NH+]4CCC([NH3+])CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246969536 1259697472 /nfs/dbraw/zinc/69/74/72/1259697472.db2.gz QKVMKVGYUSANIM-WPUGQYJPSA-N 3 0 364.534 0.946 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4CC[NH2+]C[C@@H]4O)n3)c2)CC1 ZINC001247760971 1259705214 /nfs/dbraw/zinc/70/52/14/1259705214.db2.gz YGCIFFUBORYPCT-SJORKVTESA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@H]4C[NH2+]CC45C[NH2+]C5)n3)c2)CC1 ZINC001247832149 1259705857 /nfs/dbraw/zinc/70/58/57/1259705857.db2.gz VYTJFBMZGHGOCC-MRXNPFEDSA-N 3 0 354.458 0.765 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@@H]4NC(=O)CC45C[NH2+]C5)n3)c2)CC1 ZINC001247867991 1259706480 /nfs/dbraw/zinc/70/64/80/1259706480.db2.gz FSMWXFVLLULIDN-INIZCTEOSA-N 2 0 368.441 0.639 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@]45C[NH2+]C[C@H]4CCN5)n3)c2)CC1 ZINC001247834525 1259706963 /nfs/dbraw/zinc/70/69/63/1259706963.db2.gz HUWXNOMJWYOARQ-YLJYHZDGSA-N 2 0 368.485 0.892 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@H]4NC(=O)CC45C[NH2+]C5)n3)c2)CC1 ZINC001247867993 1259707471 /nfs/dbraw/zinc/70/74/71/1259707471.db2.gz FSMWXFVLLULIDN-MRXNPFEDSA-N 2 0 368.441 0.639 20 0 FCADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251013621 1259728833 /nfs/dbraw/zinc/72/88/33/1259728833.db2.gz JKHGOSDCIOXUBB-VAMGGRTRSA-N 2 0 367.534 0.360 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC001251989443 1259772008 /nfs/dbraw/zinc/77/20/08/1259772008.db2.gz DLIBPFUDUIQNEY-UHFFFAOYSA-N 2 0 369.554 0.766 20 0 FCADRP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001252416820 1259786141 /nfs/dbraw/zinc/78/61/41/1259786141.db2.gz DCFZGAQNPDCPFH-KRWDZBQOSA-N 2 0 363.458 0.530 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335710701 1259798242 /nfs/dbraw/zinc/79/82/42/1259798242.db2.gz CSSIUCXMNVUFNR-OXFYSEKESA-N 2 0 374.485 0.030 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001253052038 1259819052 /nfs/dbraw/zinc/81/90/52/1259819052.db2.gz VMRFCTKVLNGDEJ-IBGZPJMESA-N 2 0 365.518 0.794 20 0 FCADRP CC[NH+](CC)C[C@H](O)CNC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001253212281 1259830173 /nfs/dbraw/zinc/83/01/73/1259830173.db2.gz HOJZOGBBAAMTMF-GOSISDBHSA-N 2 0 362.518 0.799 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001335821408 1259856304 /nfs/dbraw/zinc/85/63/04/1259856304.db2.gz XSCSBQLFGKOMIE-QZTJIDSGSA-N 2 0 353.507 0.575 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)CC1 ZINC001335832674 1259862546 /nfs/dbraw/zinc/86/25/46/1259862546.db2.gz PDORBFRYLOELBF-UHFFFAOYSA-N 2 0 366.550 0.708 20 0 FCADRP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524245 1259889581 /nfs/dbraw/zinc/88/95/81/1259889581.db2.gz VPEYNPGPWYGZAK-YLFCFFPRSA-N 2 0 361.490 0.866 20 0 FCADRP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)[C@@H]1CC[N@H+](C)C1 ZINC001255432012 1259914014 /nfs/dbraw/zinc/91/40/14/1259914014.db2.gz ODCPHWFKJLSIGI-MRXNPFEDSA-N 2 0 374.533 0.920 20 0 FCADRP CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]C1CCN(C3CC3)CC1)OCC2 ZINC001256066544 1259932738 /nfs/dbraw/zinc/93/27/38/1259932738.db2.gz HPVXJSLPOSQRSU-KRWDZBQOSA-N 2 0 361.490 0.802 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077237 1259934249 /nfs/dbraw/zinc/93/42/49/1259934249.db2.gz PCCLFLNOPIKHMP-UHFFFAOYSA-N 2 0 361.490 0.951 20 0 FCADRP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3C2CCC([NH+]3CCOCC3)CC2)N1 ZINC001256696873 1259957609 /nfs/dbraw/zinc/95/76/09/1259957609.db2.gz OMECJHLHSHNYDI-FLFHYWOWSA-N 2 0 362.474 0.835 20 0 FCADRP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256858635 1259975747 /nfs/dbraw/zinc/97/57/47/1259975747.db2.gz MCPFMDIGSZIDLC-ROUUACIJSA-N 2 0 371.485 0.814 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862314 1259976439 /nfs/dbraw/zinc/97/64/39/1259976439.db2.gz CDKBGQGIZLRELZ-RBUKOAKNSA-N 2 0 372.513 0.972 20 0 FCADRP COC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC001257568894 1260020822 /nfs/dbraw/zinc/02/08/22/1260020822.db2.gz JZOYBXGKAQPNGS-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257601544 1260024244 /nfs/dbraw/zinc/02/42/44/1260024244.db2.gz GUDKVPCGYRLKTC-CABCVRRESA-N 2 0 372.510 0.798 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H](O)C[NH3+])C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001257775887 1260029573 /nfs/dbraw/zinc/02/95/73/1260029573.db2.gz PVWKWAAZHQCFFO-PCGVCOGMSA-N 2 0 371.478 0.615 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001261492071 1260149159 /nfs/dbraw/zinc/14/91/59/1260149159.db2.gz QAFKEEDUAVOEOZ-DLBZAZTESA-N 2 0 362.474 0.242 20 0 FCADRP Cc1c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)nnn1C1CC[NH2+]CC1 ZINC001261494876 1260150209 /nfs/dbraw/zinc/15/02/09/1260150209.db2.gz IUTDCHMQSCQFDN-ZDUSSCGKSA-N 2 0 355.446 0.974 20 0 FCADRP Cc1c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)nnn1C1CC[NH2+]CC1 ZINC001261494875 1260150324 /nfs/dbraw/zinc/15/03/24/1260150324.db2.gz IUTDCHMQSCQFDN-CYBMUJFWSA-N 2 0 355.446 0.974 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H]1CC[NH3+] ZINC001336820902 1260230390 /nfs/dbraw/zinc/23/03/90/1260230390.db2.gz WRVAOIXKBXRYAB-KZNAEPCWSA-N 2 0 367.538 0.552 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001336845728 1260236052 /nfs/dbraw/zinc/23/60/52/1260236052.db2.gz PWNSNSQYTGZOPM-INIZCTEOSA-N 2 0 367.538 0.993 20 0 FCADRP CCNC(=O)C(C)(C)CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336850602 1260236793 /nfs/dbraw/zinc/23/67/93/1260236793.db2.gz YDTZFJCETUMJJY-IYBDPMFKSA-N 2 0 365.522 0.759 20 0 FCADRP COC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001336869131 1260240718 /nfs/dbraw/zinc/24/07/18/1260240718.db2.gz XRLDQJXRVNVRSB-XDNAFOTISA-N 2 0 366.506 0.791 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCCC1 ZINC001262060376 1260252409 /nfs/dbraw/zinc/25/24/09/1260252409.db2.gz YXHUYHOYYHJOFF-UXLLHSPISA-N 2 0 374.485 0.896 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001262063240 1260253808 /nfs/dbraw/zinc/25/38/08/1260253808.db2.gz UCKYXZSCAPCTHA-BRWVUGGUSA-N 2 0 366.506 0.210 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001262061627 1260254287 /nfs/dbraw/zinc/25/42/87/1260254287.db2.gz FFGVULVRVDLIEH-SFHVURJKSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001262067196 1260255319 /nfs/dbraw/zinc/25/53/19/1260255319.db2.gz VGQFQKFHRSUTGL-DKIMLUQUSA-N 2 0 358.486 0.867 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974514 1260272615 /nfs/dbraw/zinc/27/26/15/1260272615.db2.gz YUUUJLUBYPDQKW-YLJYHZDGSA-N 2 0 373.501 0.965 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974511 1260272847 /nfs/dbraw/zinc/27/28/47/1260272847.db2.gz YUUUJLUBYPDQKW-FXAWDEMLSA-N 2 0 373.501 0.965 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC001337026406 1260289155 /nfs/dbraw/zinc/28/91/55/1260289155.db2.gz NHNHBXIYBRIZII-CRAIPNDOSA-N 2 0 370.457 0.998 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063178 1260298578 /nfs/dbraw/zinc/29/85/78/1260298578.db2.gz YYQYHZLXDMWBLW-HOTGVXAUSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337533672 1260425071 /nfs/dbraw/zinc/42/50/71/1260425071.db2.gz XXAZGXGIPJEWAZ-KOMQPUFPSA-N 2 0 350.438 0.569 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337602731 1260437882 /nfs/dbraw/zinc/43/78/82/1260437882.db2.gz ZLEIAVPOIXVVBO-QGZVFWFLSA-N 2 0 359.474 0.193 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272641919 1260470582 /nfs/dbraw/zinc/47/05/82/1260470582.db2.gz BFUNHIBHOSVYKI-LJQANCHMSA-N 2 0 366.506 0.648 20 0 FCADRP CN1CCO[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217996 1260628404 /nfs/dbraw/zinc/62/84/04/1260628404.db2.gz PCFJFLKQXCHHOF-PKOBYXMFSA-N 2 0 361.490 0.528 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3CCN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001278183278 1260686918 /nfs/dbraw/zinc/68/69/18/1260686918.db2.gz JFRWVTIRKTWKBH-ZACQAIPSSA-N 2 0 368.522 0.942 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CCCC4)CC3)[C@@H]2C1 ZINC001278451848 1260693683 /nfs/dbraw/zinc/69/36/83/1260693683.db2.gz MXPBVFDWXHQRSL-IAGOWNOFSA-N 2 0 362.518 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478887 1260698007 /nfs/dbraw/zinc/69/80/07/1260698007.db2.gz DEISBZJZRYHIDL-XLIONFOSSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CCN(C)C)C[C@@H]23)[nH]1 ZINC001279289880 1260823907 /nfs/dbraw/zinc/82/39/07/1260823907.db2.gz DYGRKCJAFSVURV-ROUUACIJSA-N 2 0 359.518 0.897 20 0 FCADRP O=C1NC2(CC[NH+](Cc3cc[nH]c3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279309691 1260833639 /nfs/dbraw/zinc/83/36/39/1260833639.db2.gz JFOGWCWSXHAZAK-IAGOWNOFSA-N 2 0 354.458 0.950 20 0 FCADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279917 1266370058 /nfs/dbraw/zinc/37/00/58/1266370058.db2.gz LMTFHFOJXXKILJ-ROUUACIJSA-N 2 0 369.469 0.650 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251750 1266366683 /nfs/dbraw/zinc/36/66/83/1266366683.db2.gz GGSGTTFQIBLWPM-MAUKXSAKSA-N 2 0 358.486 0.665 20 0 FCADRP O=C1NC2(CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279468604 1260874648 /nfs/dbraw/zinc/87/46/48/1260874648.db2.gz WTTCYPNBUKWHAC-ULQDDVLXSA-N 2 0 359.474 0.601 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCCO4)CC3)[C@H]2C1 ZINC001279473625 1260877181 /nfs/dbraw/zinc/87/71/81/1260877181.db2.gz ASRMQMJBDWBCJN-BZSNNMDCSA-N 2 0 364.534 0.630 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(CN(C(=O)Cn4cccnc4=O)C3)C2)CC1 ZINC001279499215 1260880309 /nfs/dbraw/zinc/88/03/09/1260880309.db2.gz XWPKZXBTEDACSB-UHFFFAOYSA-N 2 0 359.474 0.119 20 0 FCADRP C[NH+](C)CCN1C[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H](C1)O2 ZINC001279500873 1260881043 /nfs/dbraw/zinc/88/10/43/1260881043.db2.gz GRQHDPFZQSSIPZ-CALCHBBNSA-N 2 0 368.522 0.800 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccnc(N3CCOCC3)c1)C2 ZINC001279668429 1260910836 /nfs/dbraw/zinc/91/08/36/1260910836.db2.gz WBDZOQKCLZIOBA-MOPGFXCFSA-N 2 0 359.518 0.986 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC001279714455 1260919542 /nfs/dbraw/zinc/91/95/42/1260919542.db2.gz LRMBBSUGNNRELV-RBUKOAKNSA-N 2 0 359.518 0.986 20 0 FCADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825484 1260939025 /nfs/dbraw/zinc/93/90/25/1260939025.db2.gz XRZRQRLMZCEEPO-UKRRQHHQSA-N 2 0 361.494 0.981 20 0 FCADRP COC(=O)CCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279885286 1260951349 /nfs/dbraw/zinc/95/13/49/1260951349.db2.gz QHUMARPMNPLULB-RDTXWAMCSA-N 2 0 363.462 0.658 20 0 FCADRP CN1CCC([N@@H+]2CCCC3(CN(C(=O)Cn4cccnc4=O)C3)C2)CC1 ZINC001280069835 1260989246 /nfs/dbraw/zinc/98/92/46/1260989246.db2.gz BAXNDTVOWVLDCA-UHFFFAOYSA-N 2 0 359.474 0.262 20 0 FCADRP CN1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073294 1260990817 /nfs/dbraw/zinc/99/08/17/1260990817.db2.gz AKGHDNALLHPJNG-FQEVSTJZSA-N 2 0 365.566 0.500 20 0 FCADRP CCOC(=O)CC[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280091659 1260999225 /nfs/dbraw/zinc/99/92/25/1260999225.db2.gz XTIAXVKCCRSAMJ-PVAVHDDUSA-N 2 0 367.490 0.629 20 0 FCADRP COCCC[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001280098785 1261002874 /nfs/dbraw/zinc/00/28/74/1261002874.db2.gz TYIMMRAZQIUMQC-LSDHHAIUSA-N 2 0 364.450 0.106 20 0 FCADRP Cn1c[nH+]cc1N1CC[N@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280119639 1261008992 /nfs/dbraw/zinc/00/89/92/1261008992.db2.gz ABAIIEKZZDOREM-SFHVURJKSA-N 2 0 357.462 0.478 20 0 FCADRP C[C@@H](NC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]12)c1ncc[nH]1 ZINC001280125509 1261010497 /nfs/dbraw/zinc/01/04/97/1261010497.db2.gz KXZSJURLBVVGRW-VHDGCEQUSA-N 2 0 360.462 0.615 20 0 FCADRP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH+](C)CC4)C[C@H]23)C[C@H](C)O1 ZINC001280125647 1261010915 /nfs/dbraw/zinc/01/09/15/1261010915.db2.gz MTEXEDSZVUXXPJ-HDEZJCGLSA-N 2 0 364.490 0.651 20 0 FCADRP COc1ccc(NC(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)nn1 ZINC001280138385 1261014441 /nfs/dbraw/zinc/01/44/41/1261014441.db2.gz XPYSLPSWJZJETA-QWHCGFSZSA-N 2 0 360.418 0.110 20 0 FCADRP CCn1ccnc1C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@H]2C1 ZINC001280188437 1261025169 /nfs/dbraw/zinc/02/51/69/1261025169.db2.gz GNSWSACRILRSCK-JYJNAYRXSA-N 2 0 361.490 0.296 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H]3C(=O)NC4(CC[NH+](C[C@@H](C)O)CC4)[C@H]3C2)n(C)n1 ZINC001280188740 1261025947 /nfs/dbraw/zinc/02/59/47/1261025947.db2.gz JODHDCRLHCSQLS-PVAVHDDUSA-N 2 0 361.490 0.122 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332332132 1266379216 /nfs/dbraw/zinc/37/92/16/1266379216.db2.gz NDUCUZZUIDDSFW-QAQDUYKDSA-N 2 0 358.486 0.963 20 0 FCADRP CCNC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215143 1261036243 /nfs/dbraw/zinc/03/62/43/1261036243.db2.gz KWGSYAIFJJETJD-YLJYHZDGSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280221020 1261038896 /nfs/dbraw/zinc/03/88/96/1261038896.db2.gz LZSBKDGOQIFWJQ-ROUUACIJSA-N 2 0 359.518 0.979 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@]23c2ccccc2NC3=O)CC1 ZINC001280241477 1261041445 /nfs/dbraw/zinc/04/14/45/1261041445.db2.gz HZRDACOFBFLTDN-JXFKEZNVSA-N 2 0 356.470 0.991 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)CC1 ZINC001280250820 1261041869 /nfs/dbraw/zinc/04/18/69/1261041869.db2.gz RISYNEXRGWIRMB-SFHVURJKSA-N 2 0 365.518 0.819 20 0 FCADRP C[NH+](C)CCN1CCN(CC[NH+]2CCCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280262737 1261044203 /nfs/dbraw/zinc/04/42/03/1261044203.db2.gz QDPKRSNTALVTHM-FQEVSTJZSA-N 2 0 365.566 0.690 20 0 FCADRP CC(=O)N1CCC(C[NH2+]C23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)CC1 ZINC001280272481 1261045691 /nfs/dbraw/zinc/04/56/91/1261045691.db2.gz NHUTUMPNHPXOTI-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC001281890503 1261261194 /nfs/dbraw/zinc/26/11/94/1261261194.db2.gz KXCQGJNFWPEULR-ZACQAIPSSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001281937377 1261299090 /nfs/dbraw/zinc/29/90/90/1261299090.db2.gz QEMQVXVRXNYWEB-CVEARBPZSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[NH+]1CCCCC1 ZINC001580292222 1278100557 /nfs/dbraw/zinc/10/05/57/1278100557.db2.gz QHMOIBSJWHXHMV-ZDUSSCGKSA-N 2 0 358.450 0.476 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001289524973 1262238361 /nfs/dbraw/zinc/23/83/61/1262238361.db2.gz WBRPXDILBPYXKL-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289719743 1262322248 /nfs/dbraw/zinc/32/22/48/1262322248.db2.gz CWFMFSGSKZARLQ-ZACQAIPSSA-N 2 0 368.522 0.279 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580341380 1278137993 /nfs/dbraw/zinc/13/79/93/1278137993.db2.gz WNWCXRKGJOUEEO-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn3cc(C[NH3+])ccc3n2)C1 ZINC001580340718 1278138314 /nfs/dbraw/zinc/13/83/14/1278138314.db2.gz GYNRMMFKYSLFKI-CQSZACIVSA-N 2 0 358.446 0.110 20 0 FCADRP CO[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001477926512 1263112409 /nfs/dbraw/zinc/11/24/09/1263112409.db2.gz IFLYANOYELPBKB-YQQAZPJKSA-N 2 0 354.495 0.506 20 0 FCADRP [NH3+][C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCC2)C1 ZINC001580372440 1278182384 /nfs/dbraw/zinc/18/23/84/1278182384.db2.gz FSQORPZNDMPVGV-HUUCEWRRSA-N 2 0 361.494 0.643 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001580377253 1278189718 /nfs/dbraw/zinc/18/97/18/1278189718.db2.gz SQWVUKDHDKHZBC-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP [NH3+][C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001580381045 1278196413 /nfs/dbraw/zinc/19/64/13/1278196413.db2.gz GBDSLLSUNJGCKH-GDBMZVCRSA-N 2 0 364.494 0.514 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001479672248 1263333500 /nfs/dbraw/zinc/33/35/00/1263333500.db2.gz OGEBZQSYZOPARZ-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317590156 1263516460 /nfs/dbraw/zinc/51/64/60/1263516460.db2.gz WDPZSTPHHRRMOL-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317590157 1263517001 /nfs/dbraw/zinc/51/70/01/1263517001.db2.gz WDPZSTPHHRRMOL-RRFJBIMHSA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580385559 1278204716 /nfs/dbraw/zinc/20/47/16/1278204716.db2.gz OISLWXQOPGZJQM-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001320427892 1263794456 /nfs/dbraw/zinc/79/44/56/1263794456.db2.gz NCAPXJUHSLBFLE-UHFFFAOYSA-N 2 0 362.474 0.651 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(O)ccc2Cl)CC[N@@H+]1C ZINC001496980018 1263905942 /nfs/dbraw/zinc/90/59/42/1263905942.db2.gz YSWBXDNNEZIPJX-BYCMXARLSA-N 2 0 355.866 0.953 20 0 FCADRP CCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001499060195 1264001678 /nfs/dbraw/zinc/00/16/78/1264001678.db2.gz ISYQUQLAYOSRPV-VQIMIIECSA-N 2 0 362.522 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580387970 1278211632 /nfs/dbraw/zinc/21/16/32/1278211632.db2.gz JUMMZMYGBKTXDG-HZSPNIEDSA-N 2 0 370.461 0.544 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCOC3)CC2)CC1 ZINC001322012202 1264130708 /nfs/dbraw/zinc/13/07/08/1264130708.db2.gz YUKGDDRYFWRZKK-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001322241746 1264172523 /nfs/dbraw/zinc/17/25/23/1264172523.db2.gz RCOCKACJVCNEKM-MRXNPFEDSA-N 2 0 359.474 0.721 20 0 FCADRP CN(Cc1ccc(C(N)=O)cc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC001323739286 1264498386 /nfs/dbraw/zinc/49/83/86/1264498386.db2.gz DYHIEELGRCPIFJ-UHFFFAOYSA-N 2 0 354.458 0.959 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001325083206 1264770116 /nfs/dbraw/zinc/77/01/16/1264770116.db2.gz KLYQXRKMNGQGFF-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001325318997 1264845806 /nfs/dbraw/zinc/84/58/06/1264845806.db2.gz LWISXKACPFDARL-MRXNPFEDSA-N 2 0 373.501 0.753 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580402929 1278234122 /nfs/dbraw/zinc/23/41/22/1278234122.db2.gz WGIZEWZJHWUDES-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325700864 1264973584 /nfs/dbraw/zinc/97/35/84/1264973584.db2.gz AXLSILVHVCZSMO-KRWDZBQOSA-N 2 0 362.474 0.235 20 0 FCADRP CN(C(=O)NCc1cc(C(N)=O)no1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001325721477 1264978856 /nfs/dbraw/zinc/97/88/56/1264978856.db2.gz FDYRRBCICHMAIO-ZDUSSCGKSA-N 2 0 364.450 0.083 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC001325728350 1264981658 /nfs/dbraw/zinc/98/16/58/1264981658.db2.gz GGYUIJASVMIESI-HOTGVXAUSA-N 2 0 373.501 0.263 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001513420005 1265111910 /nfs/dbraw/zinc/11/19/10/1265111910.db2.gz QOBYGSSKHZVVOB-BZUAXINKSA-N 2 0 368.522 0.256 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001326633558 1265147173 /nfs/dbraw/zinc/14/71/73/1265147173.db2.gz NAFHONCHPNGEMZ-JHNDHUHGSA-N 2 0 362.478 0.704 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC001327024728 1265218908 /nfs/dbraw/zinc/21/89/08/1265218908.db2.gz UIAODSFFHRWXEH-MRXNPFEDSA-N 2 0 362.474 0.497 20 0 FCADRP [NH3+]CCN(CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC001327196573 1265250731 /nfs/dbraw/zinc/25/07/31/1265250731.db2.gz RDHRBNDZFJNMQU-IBGZPJMESA-N 2 0 360.502 0.628 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC001327499455 1265342366 /nfs/dbraw/zinc/34/23/66/1265342366.db2.gz GBWCBYVRCFRDDF-XJKSGUPXSA-N 2 0 364.450 0.069 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001327598189 1265369602 /nfs/dbraw/zinc/36/96/02/1265369602.db2.gz ZCCGTOUGIZISQE-AWEZNQCLSA-N 2 0 362.478 0.433 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001332673648 1266458551 /nfs/dbraw/zinc/45/85/51/1266458551.db2.gz WZJVYZYGEIBDLY-ZMSDIMECSA-N 2 0 366.506 0.332 20 0 FCADRP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCNC(=O)CC1 ZINC001332914227 1266504692 /nfs/dbraw/zinc/50/46/92/1266504692.db2.gz QPNLZLNNNKNKNP-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP [NH3+][C@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001580415623 1278264070 /nfs/dbraw/zinc/26/40/70/1278264070.db2.gz YEWXBQRDDQXTFW-JYJNAYRXSA-N 2 0 364.494 0.166 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001580417624 1278268531 /nfs/dbraw/zinc/26/85/31/1278268531.db2.gz FUXALLYCTMDKJH-CHWSQXEVSA-N 2 0 358.450 0.475 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001333405060 1266594124 /nfs/dbraw/zinc/59/41/24/1266594124.db2.gz QCASBKZUYGEBRB-KZNAEPCWSA-N 2 0 358.486 0.521 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC001333656085 1266669005 /nfs/dbraw/zinc/66/90/05/1266669005.db2.gz YHCPLHKNRAJSTQ-UHFFFAOYSA-N 2 0 357.458 0.995 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001333676245 1266673285 /nfs/dbraw/zinc/67/32/85/1266673285.db2.gz BNRZENUSIZUTKT-DLBZAZTESA-N 2 0 362.518 0.955 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001334313288 1266941879 /nfs/dbraw/zinc/94/18/79/1266941879.db2.gz FLXLWQUOLLQLSL-PVAVHDDUSA-N 2 0 366.506 0.155 20 0 FCADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C[C@]1(O)CCOC1 ZINC001334658749 1267126140 /nfs/dbraw/zinc/12/61/40/1267126140.db2.gz AHMJJXFIIGXUQH-RBUKOAKNSA-N 2 0 356.507 0.713 20 0 FCADRP COC1(OC)CCOC[C@@H]1[NH2+]C/C=C\C[NH2+][C@H]1COCCC1(OC)OC ZINC001335067713 1267312314 /nfs/dbraw/zinc/31/23/14/1267312314.db2.gz OBRSCBZUCDEMPQ-XFCCUVRLSA-N 2 0 374.478 0.278 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC001335190875 1267395877 /nfs/dbraw/zinc/39/58/77/1267395877.db2.gz WDLQEMHWUFZTEX-BQFCYCMXSA-N 2 0 369.506 0.123 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572262 1267499904 /nfs/dbraw/zinc/49/99/04/1267499904.db2.gz JSZCZHAUKCKISE-GJZGRUSLSA-N 2 0 354.495 0.107 20 0 FCADRP Cn1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001548938262 1267773708 /nfs/dbraw/zinc/77/37/08/1267773708.db2.gz KUXMYSMAUGWSEV-UKRRQHHQSA-N 2 0 372.477 0.415 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1c1ccccc1F ZINC001549048226 1267796304 /nfs/dbraw/zinc/79/63/04/1267796304.db2.gz BKEJGGFVQSCJAQ-XNRPHZJLSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114107 1267813235 /nfs/dbraw/zinc/81/32/35/1267813235.db2.gz BHFWGFNJDGYHAF-APWZRJJASA-N 2 0 358.490 0.576 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC001338465775 1267950900 /nfs/dbraw/zinc/95/09/00/1267950900.db2.gz GLXOAHIQZHRCGL-WMLDXEAASA-N 2 0 355.504 0.349 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001549723159 1267979055 /nfs/dbraw/zinc/97/90/55/1267979055.db2.gz VYFMAYUDJZKFLM-IUODEOHRSA-N 2 0 358.364 0.981 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3C[NH2+]C[C@H]3C(F)(F)F)n2)C1 ZINC001549726192 1267979589 /nfs/dbraw/zinc/97/95/89/1267979589.db2.gz DOXJYTURSDBSKY-KGYLQXTDSA-N 2 0 357.380 0.633 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001549728141 1267980254 /nfs/dbraw/zinc/98/02/54/1267980254.db2.gz KDRYFSMONVBPLF-VVFCZOMOSA-N 2 0 350.507 0.775 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCCc3cccc(C[NH3+])c32)nn1 ZINC001549754262 1267988851 /nfs/dbraw/zinc/98/88/51/1267988851.db2.gz LTPNPIAVEGAYRK-RDJZCZTQSA-N 2 0 370.457 0.418 20 0 FCADRP CCO[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC001549792720 1268000552 /nfs/dbraw/zinc/00/05/52/1268000552.db2.gz MZRGDPCZSPAFLR-CJNGLKHVSA-N 2 0 350.467 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3[C@H](O)C(C)(C)[C@H]32)C1 ZINC001549897049 1268015528 /nfs/dbraw/zinc/01/55/28/1268015528.db2.gz BYRXHTNYOLJJPJ-NEPXVJNWSA-N 2 0 367.534 0.941 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+]4C[C@@H](O)C[C@H]4C3)cc21 ZINC001549941679 1268026775 /nfs/dbraw/zinc/02/67/75/1268026775.db2.gz XMKPNEONDPSTOM-GJZGRUSLSA-N 2 0 373.457 0.195 20 0 FCADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)[C@H]2C1 ZINC001550062884 1268065946 /nfs/dbraw/zinc/06/59/46/1268065946.db2.gz IKDPHXABFYCMJX-SRVKXCTJSA-N 2 0 370.404 0.295 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@@H]2[NH3+])cc1 ZINC001550113685 1268076608 /nfs/dbraw/zinc/07/66/08/1268076608.db2.gz RXVQDLDYJMVHRR-NJAFHUGGSA-N 2 0 374.485 0.358 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC001338760231 1268079064 /nfs/dbraw/zinc/07/90/64/1268079064.db2.gz XPHCAKKTCFJKDS-HNNXBMFYSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)c3cn([C@@H]4CCCC[C@H]4[NH3+])nn3)C2)CC1 ZINC001550116224 1268079840 /nfs/dbraw/zinc/07/98/40/1268079840.db2.gz KONAPERKNWWGLA-BFYDXBDKSA-N 2 0 361.494 0.182 20 0 FCADRP C[C@H](CCC(=O)NC[C@H]1CC[N@H+](C)C1)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001338824622 1268101634 /nfs/dbraw/zinc/10/16/34/1268101634.db2.gz NPZIPIRLXHSUPZ-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H](CCC(=O)NC[C@H]1CC[N@H+](C)C1)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC001338824619 1268102242 /nfs/dbraw/zinc/10/22/42/1268102242.db2.gz NPZIPIRLXHSUPZ-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@@H]2[NH3+])cn1 ZINC001550270586 1268102758 /nfs/dbraw/zinc/10/27/58/1268102758.db2.gz PFLVOYWXXCKFGU-ROUUACIJSA-N 2 0 354.458 0.702 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H](O)C2 ZINC001550485662 1268127822 /nfs/dbraw/zinc/12/78/22/1268127822.db2.gz BKNAPKUYBYARSF-UYKLPWQDSA-N 2 0 353.507 0.429 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001550754139 1268163346 /nfs/dbraw/zinc/16/33/46/1268163346.db2.gz ISJPFJFEHILSBB-LSDHHAIUSA-N 2 0 352.479 0.213 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550769019 1268165408 /nfs/dbraw/zinc/16/54/08/1268165408.db2.gz WJOQMUNKVQYJHK-GJZGRUSLSA-N 2 0 352.479 0.213 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912663 1268184469 /nfs/dbraw/zinc/18/44/69/1268184469.db2.gz JKSSPNXZNQRJNK-UEABVUSTSA-N 2 0 350.507 0.918 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3COC[C@@]3(c3nnc(C)o3)C2)CC1 ZINC001551007407 1268192024 /nfs/dbraw/zinc/19/20/24/1268192024.db2.gz IZFSFVHGMCLZEF-JOQOYGCGSA-N 2 0 363.462 0.130 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC001551284744 1268223259 /nfs/dbraw/zinc/22/32/59/1268223259.db2.gz DOOVGGQATMIUFE-TVRKMHQQSA-N 2 0 368.522 0.992 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001551404222 1268231632 /nfs/dbraw/zinc/23/16/32/1268231632.db2.gz XTORONSWLZZBEX-LRYGQEGESA-N 3 0 352.523 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H](C)[NH+]1CCO ZINC001551463390 1268256488 /nfs/dbraw/zinc/25/64/88/1268256488.db2.gz HUHVMQRMITYECF-BZUAXINKSA-N 2 0 354.495 0.242 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@H]12 ZINC001551469368 1268258296 /nfs/dbraw/zinc/25/82/96/1268258296.db2.gz YQRJFDPNFPQNNZ-CEXWTWQISA-N 2 0 357.502 0.971 20 0 FCADRP [NH3+]CC1(c2ccccc2)CC(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001551487256 1268261493 /nfs/dbraw/zinc/26/14/93/1268261493.db2.gz PTSSDVXPYJAJQY-QPIRBTGLSA-N 2 0 357.502 0.735 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001551536090 1268263678 /nfs/dbraw/zinc/26/36/78/1268263678.db2.gz PRYTXOBGCMMAPM-SOUVJXGZSA-N 2 0 371.407 0.746 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[NH2+]C1 ZINC001551552378 1268265305 /nfs/dbraw/zinc/26/53/05/1268265305.db2.gz DOYSSHMZWOWTPJ-INMHGKMJSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C2 ZINC001551554921 1268266321 /nfs/dbraw/zinc/26/63/21/1268266321.db2.gz KZJHYLYHWGPTDW-YCEFEEMOSA-N 2 0 363.506 0.274 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551568163 1268273644 /nfs/dbraw/zinc/27/36/44/1268273644.db2.gz IATPCQWZFWKPEU-WMZOPIPTSA-N 2 0 365.522 0.616 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551567681 1268273654 /nfs/dbraw/zinc/27/36/54/1268273654.db2.gz HJRFPDMVJPCKKJ-WMZOPIPTSA-N 2 0 365.522 0.805 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551575038 1268274305 /nfs/dbraw/zinc/27/43/05/1268274305.db2.gz DZTALMVAVTZIAS-OBQMCRIKSA-N 2 0 365.522 0.805 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551576870 1268275934 /nfs/dbraw/zinc/27/59/34/1268275934.db2.gz KKYNCUGGTNHIJO-YQQAZPJKSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC001551578922 1268276607 /nfs/dbraw/zinc/27/66/07/1268276607.db2.gz NMPHNDJYMAVUNX-NVXWUHKLSA-N 2 0 363.506 0.418 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551581505 1268277935 /nfs/dbraw/zinc/27/79/35/1268277935.db2.gz RWAGKSJSCJMQJB-MJEQTWJJSA-N 2 0 351.495 0.402 20 0 FCADRP C[C@]1(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001551582139 1268278637 /nfs/dbraw/zinc/27/86/37/1268278637.db2.gz UAVJAQNYWPBEKF-LESCRADOSA-N 2 0 351.495 0.322 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551582241 1268278867 /nfs/dbraw/zinc/27/88/67/1268278867.db2.gz UJFKNSVLNCPSLE-AEFFLSMTSA-N 2 0 365.522 0.664 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585856 1268279533 /nfs/dbraw/zinc/27/95/33/1268279533.db2.gz BAODMCFSAVIWJG-RYRKJORJSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001551598455 1268282692 /nfs/dbraw/zinc/28/26/92/1268282692.db2.gz XXZPYSLGYFNOGI-XCRHUMRWSA-N 2 0 365.522 0.663 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001551598450 1268283371 /nfs/dbraw/zinc/28/33/71/1268283371.db2.gz XXZPYSLGYFNOGI-OWQGQXMQSA-N 2 0 365.522 0.663 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597795 1268283381 /nfs/dbraw/zinc/28/33/81/1268283381.db2.gz XBWNETZNUAFWBW-NVXWUHKLSA-N 2 0 351.495 0.370 20 0 FCADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001339791624 1268331036 /nfs/dbraw/zinc/33/10/36/1268331036.db2.gz ZDSHIDPQHXETFA-HNNXBMFYSA-N 2 0 374.420 0.762 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2C)CC1 ZINC001339903529 1268365866 /nfs/dbraw/zinc/36/58/66/1268365866.db2.gz SWNCKGHTOIIGCK-AWEZNQCLSA-N 2 0 350.467 0.857 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552089064 1268369000 /nfs/dbraw/zinc/36/90/00/1268369000.db2.gz LKUIWKFOCVDFFZ-INIZCTEOSA-N 2 0 355.446 0.602 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])nn1 ZINC001552161081 1268396472 /nfs/dbraw/zinc/39/64/72/1268396472.db2.gz SFNWDEMMLDRRKB-KBAYOESNSA-N 2 0 370.457 0.065 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cnn1C ZINC001552160761 1268396480 /nfs/dbraw/zinc/39/64/80/1268396480.db2.gz HGWKZSWIUGEYPP-JQFCIGGWSA-N 2 0 354.458 0.881 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cnn1C ZINC001552167791 1268399650 /nfs/dbraw/zinc/39/96/50/1268399650.db2.gz SCORFJWINFLLQV-ROUUACIJSA-N 2 0 361.490 0.355 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168819 1268400903 /nfs/dbraw/zinc/40/09/03/1268400903.db2.gz WGOLUOLSSGLMAO-JKSUJKDBSA-N 2 0 361.494 0.053 20 0 FCADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200110 1268407558 /nfs/dbraw/zinc/40/75/58/1268407558.db2.gz COPYKRNBZDOYLB-SVFBPWRDSA-N 2 0 373.497 0.784 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC001552216205 1268413472 /nfs/dbraw/zinc/41/34/72/1268413472.db2.gz LLENBIFMDJREHU-BHYGNILZSA-N 2 0 370.457 0.697 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001552250958 1268421225 /nfs/dbraw/zinc/42/12/25/1268421225.db2.gz DYDYXGCYBADZTL-QZTJIDSGSA-N 2 0 358.486 0.564 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]([NH3+])C[C@@H]2c2ccccc2)nn1 ZINC001552257244 1268423763 /nfs/dbraw/zinc/42/37/63/1268423763.db2.gz LAYUAVXAPMYNNT-JOCBIADPSA-N 2 0 370.457 0.281 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340103649 1268436322 /nfs/dbraw/zinc/43/63/22/1268436322.db2.gz BIGZLECJVXOFSV-HXUWFJFHSA-N 2 0 360.502 0.938 20 0 FCADRP CN1CCC[C@@H]1c1cc(C(=O)N2C[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC001552307428 1268436638 /nfs/dbraw/zinc/43/66/38/1268436638.db2.gz UMZYRAZBFPLIQP-RVKKMQEKSA-N 2 0 362.522 0.988 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001340132268 1268445742 /nfs/dbraw/zinc/44/57/42/1268445742.db2.gz MTWJRBLXCNKYAW-HNNXBMFYSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@H]21 ZINC001552431045 1268461398 /nfs/dbraw/zinc/46/13/98/1268461398.db2.gz PNVNMJQBFAUMAW-GDBMZVCRSA-N 2 0 360.458 0.982 20 0 FCADRP Cc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434180 1268462106 /nfs/dbraw/zinc/46/21/06/1268462106.db2.gz DBHPSMFLNRPOTF-INIZCTEOSA-N 2 0 362.478 0.305 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)C2)CC1 ZINC001552436790 1268462946 /nfs/dbraw/zinc/46/29/46/1268462946.db2.gz JVGGEFREABGDMG-MRXNPFEDSA-N 2 0 361.490 0.994 20 0 FCADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH2+]CCN2C)CCOCC1)c1ccccc1 ZINC001340221775 1268475678 /nfs/dbraw/zinc/47/56/78/1268475678.db2.gz FSBONPIFZNMGJY-AEFFLSMTSA-N 2 0 360.502 0.906 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001340236072 1268481277 /nfs/dbraw/zinc/48/12/77/1268481277.db2.gz YBMQKXRYDJHDPE-SFHVURJKSA-N 2 0 360.502 0.691 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1n1ccnn1 ZINC001552599411 1268482953 /nfs/dbraw/zinc/48/29/53/1268482953.db2.gz QMAPWSSUZRKLBP-IRXDYDNUSA-N 2 0 361.494 0.649 20 0 FCADRP C[C@H](CNC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC001552603827 1268487579 /nfs/dbraw/zinc/48/75/79/1268487579.db2.gz VNEAYMBVLDDSPE-IKGGRYGDSA-N 2 0 363.510 0.895 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606748 1268489496 /nfs/dbraw/zinc/48/94/96/1268489496.db2.gz JNUBVLGMNLLEKA-GVDBMIGSSA-N 2 0 361.494 0.792 20 0 FCADRP CO[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@](C)(C[NH3+])C1 ZINC001552681208 1268519933 /nfs/dbraw/zinc/51/99/33/1268519933.db2.gz VMJJVJXMBFIAOH-BZNIZROVSA-N 2 0 372.420 0.719 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552690561 1268521983 /nfs/dbraw/zinc/52/19/83/1268521983.db2.gz GVIRGWSISLLHAJ-INMHGKMJSA-N 2 0 364.494 0.807 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)CC1 ZINC001552700142 1268523748 /nfs/dbraw/zinc/52/37/48/1268523748.db2.gz QRHSRALIIOFXNX-UHFFFAOYSA-N 2 0 374.533 0.976 20 0 FCADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@H]21 ZINC001552698799 1268523882 /nfs/dbraw/zinc/52/38/82/1268523882.db2.gz VAJFKFORAVFQKG-GDBMZVCRSA-N 2 0 359.474 0.717 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CCOCC1 ZINC001552696111 1268523890 /nfs/dbraw/zinc/52/38/90/1268523890.db2.gz FTNJVWLGAQMADE-ZFWWWQNUSA-N 2 0 350.467 0.561 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001552695574 1268524432 /nfs/dbraw/zinc/52/44/32/1268524432.db2.gz NXKCKDFWRMWHOL-NVXWUHKLSA-N 2 0 362.478 0.657 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)CC1 ZINC001552771863 1268542228 /nfs/dbraw/zinc/54/22/28/1268542228.db2.gz VDIJNHIJYSLZQA-DOTOQJQBSA-N 2 0 358.490 0.751 20 0 FCADRP C[C@@H]1[C@H](c2nnc(N3CC[C@@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774633 1268542522 /nfs/dbraw/zinc/54/25/22/1268542522.db2.gz MBYZIBMDDCFLEH-BRWVUGGUSA-N 2 0 361.538 0.839 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552798892 1268549138 /nfs/dbraw/zinc/54/91/38/1268549138.db2.gz GERRVTNDLMXSRX-KURKYZTESA-N 2 0 368.522 0.726 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552798894 1268550539 /nfs/dbraw/zinc/55/05/39/1268550539.db2.gz GERRVTNDLMXSRX-SQNIBIBYSA-N 2 0 368.522 0.726 20 0 FCADRP CCO[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@H]1C[NH3+] ZINC001552843344 1268558153 /nfs/dbraw/zinc/55/81/53/1268558153.db2.gz GCFOVKDTHDHOKY-PWSUYJOCSA-N 2 0 372.420 0.576 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552848890 1268559174 /nfs/dbraw/zinc/55/91/74/1268559174.db2.gz OJTICCMYBVNTKM-ZJIFWQFVSA-N 2 0 362.478 0.493 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC001552847454 1268559641 /nfs/dbraw/zinc/55/96/41/1268559641.db2.gz UUGIBCRUIYYTKZ-QWHCGFSZSA-N 2 0 363.487 0.303 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)c1 ZINC001552887830 1268561952 /nfs/dbraw/zinc/56/19/52/1268561952.db2.gz SCLRKGOOXJQUPW-HUUCEWRRSA-N 2 0 358.450 0.754 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957740 1268569441 /nfs/dbraw/zinc/56/94/41/1268569441.db2.gz JEIATRPKBPQDQO-KZNAEPCWSA-N 2 0 365.522 0.175 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)[C@@H](O)C2 ZINC001552996892 1268575659 /nfs/dbraw/zinc/57/56/59/1268575659.db2.gz WSWJLJFYGNFOKL-DFEOGRTESA-N 2 0 368.522 0.222 20 0 FCADRP O=C(c1cnc([C@@H]2CCC[NH2+]2)nc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355713 1268636611 /nfs/dbraw/zinc/63/66/11/1268636611.db2.gz VBXLWQNNOGVZKB-HOCLYGCPSA-N 2 0 372.473 0.185 20 0 FCADRP Cc1ccc(C(=O)NCCNC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cc1F ZINC001553383220 1268640486 /nfs/dbraw/zinc/64/04/86/1268640486.db2.gz LENPLDVSWDRVRV-HNAYVOBHSA-N 2 0 362.449 0.521 20 0 FCADRP CCNC(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cc1 ZINC001553389371 1268642093 /nfs/dbraw/zinc/64/20/93/1268642093.db2.gz LEROQRBKOWQDSV-IFXJQAMLSA-N 2 0 360.458 0.681 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553388042 1268642400 /nfs/dbraw/zinc/64/24/00/1268642400.db2.gz DGYJKWOHBMPVPJ-KUHUBIRLSA-N 2 0 371.441 0.218 20 0 FCADRP CCNC(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cc1 ZINC001553389368 1268643164 /nfs/dbraw/zinc/64/31/64/1268643164.db2.gz LEROQRBKOWQDSV-AUUYWEPGSA-N 2 0 360.458 0.681 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553405798 1268645253 /nfs/dbraw/zinc/64/52/53/1268645253.db2.gz DPHCKEKDUZJSEI-SLFFLAALSA-N 2 0 372.513 0.960 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412031 1268646714 /nfs/dbraw/zinc/64/67/14/1268646714.db2.gz SPEJJJODYPGHTM-HRCADAONSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)ccc2oc1=O ZINC001553413830 1268647052 /nfs/dbraw/zinc/64/70/52/1268647052.db2.gz QUNFWSHKGFLVGZ-DVOMOZLQSA-N 2 0 360.414 0.614 20 0 FCADRP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001553441948 1268649795 /nfs/dbraw/zinc/64/97/95/1268649795.db2.gz BZGQWEPWOSIVQW-ZIFCJYIRSA-N 2 0 366.506 0.637 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001553439130 1268650342 /nfs/dbraw/zinc/65/03/42/1268650342.db2.gz LMDIWJISNILMSA-IAGOWNOFSA-N 2 0 366.506 0.698 20 0 FCADRP CC1(C)NC(=O)CC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553478734 1268656837 /nfs/dbraw/zinc/65/68/37/1268656837.db2.gz DMJYRHDKDIGKCX-XHSDSOJGSA-N 2 0 363.506 0.654 20 0 FCADRP CC1(C)NC(=O)CC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553478730 1268656949 /nfs/dbraw/zinc/65/69/49/1268656949.db2.gz DMJYRHDKDIGKCX-OWCLPIDISA-N 2 0 363.506 0.654 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCO[C@@H]2C2CC[NH2+]CC2)CC12CCOCC2 ZINC001553501555 1268659260 /nfs/dbraw/zinc/65/92/60/1268659260.db2.gz HGJOKTBOCRZTEM-ARFHVFGLSA-N 2 0 352.479 0.293 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553504064 1268660342 /nfs/dbraw/zinc/66/03/42/1268660342.db2.gz QTBPJBWNGOGYMN-IHRRRGAJSA-N 2 0 363.428 0.606 20 0 FCADRP [NH3+][C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507173 1268660872 /nfs/dbraw/zinc/66/08/72/1268660872.db2.gz JWZQVTDHUSLBPU-HOTGVXAUSA-N 2 0 352.479 0.389 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553546592 1268667445 /nfs/dbraw/zinc/66/74/45/1268667445.db2.gz HYIFQIMUCIWDSK-HZPDHXFCSA-N 2 0 365.522 0.747 20 0 FCADRP CC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC001553551900 1268668691 /nfs/dbraw/zinc/66/86/91/1268668691.db2.gz YVXANUZCDLSQJC-OWCLPIDISA-N 2 0 351.495 0.463 20 0 FCADRP CCn1cc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nn1 ZINC001553554746 1268669372 /nfs/dbraw/zinc/66/93/72/1268669372.db2.gz ZTKJBNWMFNSWML-CALCHBBNSA-N 2 0 361.494 0.451 20 0 FCADRP Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001553620489 1268671442 /nfs/dbraw/zinc/67/14/42/1268671442.db2.gz GNLFFKMNPVHHRJ-NXNVCVFFSA-N 2 0 361.490 0.447 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244084 1268884556 /nfs/dbraw/zinc/88/45/56/1268884556.db2.gz LNEAHALVTUESEB-RDTXWAMCSA-N 2 0 372.469 0.922 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001341506143 1269040256 /nfs/dbraw/zinc/04/02/56/1269040256.db2.gz ILVWECZNNRCZIO-IXDOHACOSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)OCC(F)(F)F ZINC001558935781 1269153945 /nfs/dbraw/zinc/15/39/45/1269153945.db2.gz NOYQURJSTSSDRF-UHFFFAOYSA-N 2 0 356.389 0.617 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844830 1269243263 /nfs/dbraw/zinc/24/32/63/1269243263.db2.gz LOSAHYSOWCQCPF-HKUYNNGSSA-N 3 0 371.529 0.484 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001342929638 1269683058 /nfs/dbraw/zinc/68/30/58/1269683058.db2.gz JZSPIMFFOHFNSS-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036090 1269742392 /nfs/dbraw/zinc/74/23/92/1269742392.db2.gz CDSBDJKADROFNE-RDTXWAMCSA-N 2 0 372.469 0.922 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC ZINC001343103705 1269773114 /nfs/dbraw/zinc/77/31/14/1269773114.db2.gz XALJUEWXZQAUPL-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C ZINC001343115354 1269780570 /nfs/dbraw/zinc/78/05/70/1269780570.db2.gz BPNIBHZRUAXWRO-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC001343451998 1269912566 /nfs/dbraw/zinc/91/25/66/1269912566.db2.gz IXHCAPBOFKMVKS-RYRKJORJSA-N 2 0 368.522 0.137 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001343452955 1269913442 /nfs/dbraw/zinc/91/34/42/1269913442.db2.gz NIACUUAGEDTWNM-LJQANCHMSA-N 2 0 359.518 0.344 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001343487004 1269924114 /nfs/dbraw/zinc/92/41/14/1269924114.db2.gz QCZXJLUCXRBXPO-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001572970809 1270428958 /nfs/dbraw/zinc/42/89/58/1270428958.db2.gz PDIHZWLRYNHKLF-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001574359237 1271232044 /nfs/dbraw/zinc/23/20/44/1271232044.db2.gz JGTQFEHPAMBCLV-CJNGLKHVSA-N 2 0 372.477 0.673 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599202 1271401529 /nfs/dbraw/zinc/40/15/29/1271401529.db2.gz ZTTVQITUMLLSOR-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574606169 1271412219 /nfs/dbraw/zinc/41/22/19/1271412219.db2.gz QCWDSDKMSOORHD-ZDUSSCGKSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574611520 1271417832 /nfs/dbraw/zinc/41/78/32/1271417832.db2.gz DRULCQSWBOEJCR-CQSZACIVSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574612463 1271418758 /nfs/dbraw/zinc/41/87/58/1271418758.db2.gz PLQMAMMGDKLSIR-AWEZNQCLSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574777024 1271508117 /nfs/dbraw/zinc/50/81/17/1271508117.db2.gz VVBPSSRTXVORJI-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574781474 1271515940 /nfs/dbraw/zinc/51/59/40/1271515940.db2.gz KVMZCABIZYOVRQ-NWDGAFQWSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574805200 1271544776 /nfs/dbraw/zinc/54/47/76/1271544776.db2.gz PXTAGMXPXLNBNB-CYBMUJFWSA-N 2 0 370.461 0.831 20 0 FCADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574830071 1271575941 /nfs/dbraw/zinc/57/59/41/1271575941.db2.gz PLUKJQRQEMVYMW-GFCCVEGCSA-N 2 0 358.450 0.475 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574832411 1271580447 /nfs/dbraw/zinc/58/04/47/1271580447.db2.gz UVHQQUMGBAPBCB-BBRMVZONSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574853423 1271602553 /nfs/dbraw/zinc/60/25/53/1271602553.db2.gz OVUMQOUGQIQMBQ-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874887 1271629242 /nfs/dbraw/zinc/62/92/42/1271629242.db2.gz FLCRIKMSTRPCOM-VXGBXAGGSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574886662 1271647621 /nfs/dbraw/zinc/64/76/21/1271647621.db2.gz NQNSCAOUCQBSJY-SUMWQHHRSA-N 2 0 369.473 0.803 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574886658 1271647658 /nfs/dbraw/zinc/64/76/58/1271647658.db2.gz NQNSCAOUCQBSJY-GUYCJALGSA-N 2 0 369.473 0.803 20 0 FCADRP CC(C)[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cn[nH]n1 ZINC001575353102 1271981658 /nfs/dbraw/zinc/98/16/58/1271981658.db2.gz VGAFNSSAQAPVEA-IIAWOOMASA-N 2 0 351.499 0.883 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575383688 1272026759 /nfs/dbraw/zinc/02/67/59/1272026759.db2.gz FTXVGEWFRBUZCN-ZIAGYGMSSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391187 1272038386 /nfs/dbraw/zinc/03/83/86/1272038386.db2.gz HEEXAWQISPENEG-ZIAGYGMSSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575393829 1272041221 /nfs/dbraw/zinc/04/12/21/1272041221.db2.gz XXKYTWJXYNBYMY-NEPJUHHUSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575403177 1272053315 /nfs/dbraw/zinc/05/33/15/1272053315.db2.gz VLTQHIOGMMQWSX-UONOGXRCSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC12CC[NH+]([C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)CC2 ZINC001575524986 1272178626 /nfs/dbraw/zinc/17/86/26/1272178626.db2.gz XISONDVIVOIBDB-PMPSAXMXSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702097 1272324263 /nfs/dbraw/zinc/32/42/63/1272324263.db2.gz KMBFZNVONQUEJC-ZBFHGGJFSA-N 2 0 350.467 0.386 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1CC1([NH+](C)C)CCC1 ZINC001575716255 1272360556 /nfs/dbraw/zinc/36/05/56/1272360556.db2.gz OEFOZVXPKOUXHR-CQSZACIVSA-N 2 0 363.510 0.828 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001575722579 1272377641 /nfs/dbraw/zinc/37/76/41/1272377641.db2.gz OVKNDWYYGNOYMP-LJQANCHMSA-N 2 0 353.507 0.623 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001575722577 1272379344 /nfs/dbraw/zinc/37/93/44/1272379344.db2.gz OVKNDWYYGNOYMP-IBGZPJMESA-N 2 0 353.507 0.623 20 0 FCADRP CC(C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001575879905 1272544757 /nfs/dbraw/zinc/54/47/57/1272544757.db2.gz PZDKZOJTGOIUCT-HNNXBMFYSA-N 2 0 365.526 0.739 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001576052921 1272784192 /nfs/dbraw/zinc/78/41/92/1272784192.db2.gz OHUCORNFIIFAGA-STQMWFEESA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001576065429 1272816495 /nfs/dbraw/zinc/81/64/95/1272816495.db2.gz LWRZCPCSBOLPGR-RBSFLKMASA-N 2 0 363.510 0.362 20 0 FCADRP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[N@H+](C)CCN1C ZINC001576207664 1272989487 /nfs/dbraw/zinc/98/94/87/1272989487.db2.gz QBVDLHLNULUBQQ-JYJNAYRXSA-N 2 0 353.511 0.079 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576249040 1273028212 /nfs/dbraw/zinc/02/82/12/1273028212.db2.gz WLKMLJYTQMLSBI-CHWSQXEVSA-N 2 0 358.450 0.142 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576254357 1273034799 /nfs/dbraw/zinc/03/47/99/1273034799.db2.gz CNEDBTHAWCKMQY-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001576257477 1273043315 /nfs/dbraw/zinc/04/33/15/1273043315.db2.gz AYPFJCXCMAKVAI-GUYCJALGSA-N 2 0 358.483 0.049 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCc2cn[nH]n2)C1 ZINC001576479190 1273318713 /nfs/dbraw/zinc/31/87/13/1273318713.db2.gz FKFGGGHZRBZLBW-KRWDZBQOSA-N 2 0 352.483 0.022 20 0 FCADRP CC[C@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576481473 1273322290 /nfs/dbraw/zinc/32/22/90/1273322290.db2.gz AZWWETGTEMIBFM-OAHLLOKOSA-N 2 0 374.493 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576486721 1273335341 /nfs/dbraw/zinc/33/53/41/1273335341.db2.gz ZRXOJCDZUUMKQP-OAHLLOKOSA-N 2 0 364.494 0.682 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576498726 1273359456 /nfs/dbraw/zinc/35/94/56/1273359456.db2.gz MCUNQSCXFXSXRJ-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499971 1273363085 /nfs/dbraw/zinc/36/30/85/1273363085.db2.gz VKTXFZDKUHXTNZ-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576515901 1273397067 /nfs/dbraw/zinc/39/70/67/1273397067.db2.gz HUJKWSVUFIICDU-CRAIPNDOSA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576515155 1273398174 /nfs/dbraw/zinc/39/81/74/1273398174.db2.gz FJXDCFDIILSRQW-KCQAQPDRSA-N 2 0 370.461 0.700 20 0 FCADRP CC[C@@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518531 1273404211 /nfs/dbraw/zinc/40/42/11/1273404211.db2.gz MOPDWBDLTUJEFR-CABCVRRESA-N 2 0 358.450 0.331 20 0 FCADRP CC1([NH+]2CCC2)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001576535006 1273420924 /nfs/dbraw/zinc/42/09/24/1273420924.db2.gz XHXRHYBJYQYUPA-KFWWJZLASA-N 2 0 355.504 0.096 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001576709931 1273579765 /nfs/dbraw/zinc/57/97/65/1273579765.db2.gz WQBVJOAGWMLDKI-LSDHHAIUSA-N 2 0 363.510 0.686 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@](C)(C[NH2+]Cc3cnn[nH]3)C2)n1 ZINC001576749256 1273620147 /nfs/dbraw/zinc/62/01/47/1273620147.db2.gz BRDCBJQINXNVSG-QGZVFWFLSA-N 2 0 360.466 0.205 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3cnn[nH]3)C2)cn1 ZINC001576749272 1273620663 /nfs/dbraw/zinc/62/06/63/1273620663.db2.gz CKSQTLQLNJWSDL-KRWDZBQOSA-N 2 0 360.466 0.205 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCOCC2)cc1 ZINC001576750467 1273621864 /nfs/dbraw/zinc/62/18/64/1273621864.db2.gz QIBZTPYRRXKZMM-UHFFFAOYSA-N 2 0 372.473 0.935 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001576752058 1273623127 /nfs/dbraw/zinc/62/31/27/1273623127.db2.gz ONCJVWXVBWQKEH-MRXNPFEDSA-N 2 0 364.494 0.634 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001576772778 1273650958 /nfs/dbraw/zinc/65/09/58/1273650958.db2.gz ROFUYCPARZGCCY-IKGGRYGDSA-N 2 0 353.511 0.032 20 0 FCADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576784382 1273674075 /nfs/dbraw/zinc/67/40/75/1273674075.db2.gz DCODVGCMUQPWSX-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576785443 1273677212 /nfs/dbraw/zinc/67/72/12/1273677212.db2.gz LWJBPIXZDDUNLV-MRXNPFEDSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001576800569 1273706811 /nfs/dbraw/zinc/70/68/11/1273706811.db2.gz KGTCEUCOBPZLLR-HUUCEWRRSA-N 2 0 354.495 0.901 20 0 FCADRP C[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001576800571 1273708086 /nfs/dbraw/zinc/70/80/86/1273708086.db2.gz KGTCEUCOBPZLLR-LSDHHAIUSA-N 2 0 354.495 0.901 20 0 FCADRP C[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001576800568 1273708194 /nfs/dbraw/zinc/70/81/94/1273708194.db2.gz KGTCEUCOBPZLLR-GJZGRUSLSA-N 2 0 354.495 0.901 20 0 FCADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576825270 1273748855 /nfs/dbraw/zinc/74/88/55/1273748855.db2.gz UWRXHAKGEJPIGO-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576840000 1273777185 /nfs/dbraw/zinc/77/71/85/1273777185.db2.gz YFWAIWXXKODHHI-KBXCAEBGSA-N 2 0 350.511 0.731 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576848639 1273797474 /nfs/dbraw/zinc/79/74/74/1273797474.db2.gz XEVBLZMNKZEMAP-SWLSCSKDSA-N 2 0 358.450 0.393 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850001 1273801495 /nfs/dbraw/zinc/80/14/95/1273801495.db2.gz NZJPLQXRMWJPLR-ILXRZTDVSA-N 2 0 361.494 0.464 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cnn[nH]4)CC3)C2)C1 ZINC001576877371 1273857990 /nfs/dbraw/zinc/85/79/90/1273857990.db2.gz UZLCPODYONVCCH-SYJJWHGVSA-N 2 0 362.478 0.386 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)C1 ZINC001576996865 1274029140 /nfs/dbraw/zinc/02/91/40/1274029140.db2.gz XXELKMZINXIOGK-KFWWJZLASA-N 2 0 363.510 0.492 20 0 FCADRP CCC[N@H+](CC)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)CC1 ZINC001577507147 1274459620 /nfs/dbraw/zinc/45/96/20/1274459620.db2.gz GILYGNSSKNPWII-GASCZTMLSA-N 2 0 363.510 0.541 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577553788 1274494638 /nfs/dbraw/zinc/49/46/38/1274494638.db2.gz IVHCVBWRPBUHBJ-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001577554129 1274495077 /nfs/dbraw/zinc/49/50/77/1274495077.db2.gz BKAUSTSUNFLVOK-CYBMUJFWSA-N 2 0 356.492 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554073 1274496104 /nfs/dbraw/zinc/49/61/04/1274496104.db2.gz PDIYJECYYULDNJ-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577554487 1274496528 /nfs/dbraw/zinc/49/65/28/1274496528.db2.gz SJYCTMQULRZRSS-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577563013 1274515954 /nfs/dbraw/zinc/51/59/54/1274515954.db2.gz KDHRSCXCBZVFFU-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565289 1274519491 /nfs/dbraw/zinc/51/94/91/1274519491.db2.gz MWYXFVLVLAOWLZ-HDJSIYSDSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577567861 1274524501 /nfs/dbraw/zinc/52/45/01/1274524501.db2.gz JJGCMHBXQFGSQL-UHFFFAOYSA-N 2 0 360.466 0.594 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568271 1274526413 /nfs/dbraw/zinc/52/64/13/1274526413.db2.gz OFAFEDALRRRFOF-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568524 1274527397 /nfs/dbraw/zinc/52/73/97/1274527397.db2.gz SWRHEEHCUMCAFX-CJNGLKHVSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568525 1274528512 /nfs/dbraw/zinc/52/85/12/1274528512.db2.gz SWRHEEHCUMCAFX-CZUORRHYSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577670050 1274698657 /nfs/dbraw/zinc/69/86/57/1274698657.db2.gz SJVILOCXQVVJSI-MRXNPFEDSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673647 1274708411 /nfs/dbraw/zinc/70/84/11/1274708411.db2.gz SYCRDRTWMOXDGM-HNNXBMFYSA-N 2 0 372.477 0.997 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001577684751 1274738967 /nfs/dbraw/zinc/73/89/67/1274738967.db2.gz JEVXDBYGMPQCHA-ZJIFWQFVSA-N 2 0 357.520 0.199 20 0 FCADRP CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH3+])C1 ZINC001577690990 1274750278 /nfs/dbraw/zinc/75/02/78/1274750278.db2.gz FUGJWPISAXNIOT-HNNXBMFYSA-N 2 0 363.510 0.670 20 0 FCADRP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1)C(C)C ZINC001577731071 1274806312 /nfs/dbraw/zinc/80/63/12/1274806312.db2.gz FYAVRKMZJWVFQV-OAHLLOKOSA-N 2 0 363.510 0.668 20 0 FCADRP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1)C1CC1 ZINC001577730958 1274806517 /nfs/dbraw/zinc/80/65/17/1274806517.db2.gz BBIHHTOUJFHWOJ-UKRRQHHQSA-N 2 0 361.494 0.512 20 0 FCADRP CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC001577731011 1274806936 /nfs/dbraw/zinc/80/69/36/1274806936.db2.gz CVMQAYCSYBALBE-OAHLLOKOSA-N 2 0 359.478 0.921 20 0 FCADRP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC001577730956 1274807822 /nfs/dbraw/zinc/80/78/22/1274807822.db2.gz BBIHHTOUJFHWOJ-DZGCQCFKSA-N 2 0 361.494 0.512 20 0 FCADRP O=C(Nc1ccc(O)cc1)C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)CC1 ZINC001580767692 1278895534 /nfs/dbraw/zinc/89/55/34/1278895534.db2.gz ICFIVTYNOXQNSW-INIZCTEOSA-N 2 0 359.426 0.948 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[NH2+][C@H](C)C2)C1 ZINC001577763565 1274845261 /nfs/dbraw/zinc/84/52/61/1274845261.db2.gz FBJMDJFCTOTQJP-CABCVRRESA-N 2 0 356.478 0.875 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3OC)CC2)CC1 ZINC001577767465 1274853534 /nfs/dbraw/zinc/85/35/34/1274853534.db2.gz LOQGDKZMNBOMQX-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1C[C@@H](C[NH3+])[C@H](C(=O)OC)C1 ZINC001577773374 1274860536 /nfs/dbraw/zinc/86/05/36/1274860536.db2.gz CWTROJBHIZVIAP-OWCLPIDISA-N 2 0 364.494 0.645 20 0 FCADRP CC[NH+]1CCN(C2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001577775871 1274865441 /nfs/dbraw/zinc/86/54/41/1274865441.db2.gz QOPOMMPWHFPEHJ-SFHVURJKSA-N 2 0 355.486 0.886 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3C[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775994 1274865848 /nfs/dbraw/zinc/86/58/48/1274865848.db2.gz UWYRXHJHKRMOPS-QZTJIDSGSA-N 2 0 361.538 0.802 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001577775797 1274866756 /nfs/dbraw/zinc/86/67/56/1274866756.db2.gz QLNIMFTYADBPKS-UHFFFAOYSA-N 2 0 351.495 0.417 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH2+]C)C[C@H]1C ZINC001577780950 1274877170 /nfs/dbraw/zinc/87/71/70/1274877170.db2.gz HRNZVISHNVIBMV-LSDHHAIUSA-N 2 0 363.510 0.652 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577852216 1274996424 /nfs/dbraw/zinc/99/64/24/1274996424.db2.gz MHVPWXAETWGNSR-DZGCQCFKSA-N 2 0 372.477 0.735 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577855558 1275006351 /nfs/dbraw/zinc/00/63/51/1275006351.db2.gz JDSYBAMXGZWVPT-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577855771 1275010545 /nfs/dbraw/zinc/01/05/45/1275010545.db2.gz PMTMJLJPNYGFOW-JSGCOSHPSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577860157 1275023330 /nfs/dbraw/zinc/02/33/30/1275023330.db2.gz SEIVVUNQMKRSFC-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863360 1275036801 /nfs/dbraw/zinc/03/68/01/1275036801.db2.gz VCZABYVEWCTIMQ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001577865324 1275041018 /nfs/dbraw/zinc/04/10/18/1275041018.db2.gz JWXKHTNBBMMGGT-ILXRZTDVSA-N 2 0 363.510 0.758 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866350 1275043465 /nfs/dbraw/zinc/04/34/65/1275043465.db2.gz FKUZTDQPMARUIJ-GFCCVEGCSA-N 2 0 360.466 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577866712 1275045097 /nfs/dbraw/zinc/04/50/97/1275045097.db2.gz KEFCSNJXBAGRKJ-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577872104 1275059788 /nfs/dbraw/zinc/05/97/88/1275059788.db2.gz VLSONUAGBVVEHP-IYBDPMFKSA-N 2 0 357.462 0.945 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577885838 1275091139 /nfs/dbraw/zinc/09/11/39/1275091139.db2.gz POLVVIXKMPSTPZ-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888018 1275094095 /nfs/dbraw/zinc/09/40/95/1275094095.db2.gz ABMKLQPDHHOMKQ-CHWSQXEVSA-N 2 0 360.466 0.639 20 0 FCADRP CC[NH+](CC)CC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577888212 1275095450 /nfs/dbraw/zinc/09/54/50/1275095450.db2.gz GTCUHAIFPOQTHE-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892545 1275102446 /nfs/dbraw/zinc/10/24/46/1275102446.db2.gz PVRSZRISJMFXGZ-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577895119 1275105248 /nfs/dbraw/zinc/10/52/48/1275105248.db2.gz BCJHBKGXHPXJSI-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP O=C(NC[C@@H](CO)[NH2+]CCc1cn[nH]n1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986368 1275224469 /nfs/dbraw/zinc/22/44/69/1275224469.db2.gz AVBGLGFUBQTAPE-DOTOQJQBSA-N 2 0 364.494 0.211 20 0 FCADRP CCOCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CCC[NH+]1CCCCC1 ZINC001578144814 1275444482 /nfs/dbraw/zinc/44/44/82/1275444482.db2.gz QTQGMZJNHWMMND-INIZCTEOSA-N 2 0 366.510 0.855 20 0 FCADRP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001580805837 1278965344 /nfs/dbraw/zinc/96/53/44/1278965344.db2.gz YAYWKRMUKMGFLU-HZPDHXFCSA-N 2 0 358.442 0.560 20 0 FCADRP CCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578315633 1275654776 /nfs/dbraw/zinc/65/47/76/1275654776.db2.gz VBFLAHHMIPHYHK-SJORKVTESA-N 2 0 363.554 0.912 20 0 FCADRP CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1([NH3+])COC1 ZINC001578323922 1275667358 /nfs/dbraw/zinc/66/73/58/1275667358.db2.gz AKJFEAIIYCRQFY-AWEZNQCLSA-N 2 0 364.494 0.258 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578397760 1275772057 /nfs/dbraw/zinc/77/20/57/1275772057.db2.gz XFHKOIKWBWEPNC-HOTGVXAUSA-N 2 0 353.511 0.618 20 0 FCADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3=NO[C@@]4(CC[NH2+]C4)C3)nc2)C1 ZINC001578410779 1275783343 /nfs/dbraw/zinc/78/33/43/1275783343.db2.gz LSIHHOFLSFJODE-KSSFIOAISA-N 2 0 358.446 0.669 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001578418219 1275786962 /nfs/dbraw/zinc/78/69/62/1275786962.db2.gz ZAZIFIQKIOBASY-CVEARBPZSA-N 2 0 357.462 0.897 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1=O ZINC001578418644 1275787976 /nfs/dbraw/zinc/78/79/76/1275787976.db2.gz MWFQYTZZHOTLJC-MRXNPFEDSA-N 2 0 357.458 0.270 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446728 1275831725 /nfs/dbraw/zinc/83/17/25/1275831725.db2.gz FIDJPKCLFWTYMV-HEHGZKQESA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578449103 1275844592 /nfs/dbraw/zinc/84/45/92/1275844592.db2.gz VQLOIQYNZKNGLY-SLEUVZQESA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578449104 1275845565 /nfs/dbraw/zinc/84/55/65/1275845565.db2.gz VQLOIQYNZKNGLY-TYNCELHUSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001578471373 1275884602 /nfs/dbraw/zinc/88/46/02/1275884602.db2.gz IFTWALWSSAEIMI-JKSUJKDBSA-N 2 0 372.477 0.639 20 0 FCADRP C[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC001578481045 1275894505 /nfs/dbraw/zinc/89/45/05/1275894505.db2.gz LBBKHYXRWXXHAE-DZGCQCFKSA-N 2 0 361.494 0.641 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])C2CCCCC2)(N2CCOCC2)CC1 ZINC001578524072 1275957117 /nfs/dbraw/zinc/95/71/17/1275957117.db2.gz SLRAERMCXSLVCD-QGZVFWFLSA-N 2 0 352.523 0.807 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001578525564 1275957149 /nfs/dbraw/zinc/95/71/49/1275957149.db2.gz HTJIUFNJUNNUEY-LPHOPBHVSA-N 2 0 372.473 0.176 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001578524574 1275958460 /nfs/dbraw/zinc/95/84/60/1275958460.db2.gz YQUBFNFFTJHNJY-UHFFFAOYSA-N 2 0 355.527 0.409 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCCO3)nnc2N2CCC([NH3+])CC2)C1 ZINC001578526019 1275959490 /nfs/dbraw/zinc/95/94/90/1275959490.db2.gz XDVSFDDCKOJBLS-RHSMWYFYSA-N 2 0 350.467 0.124 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528127 1275959971 /nfs/dbraw/zinc/95/99/71/1275959971.db2.gz DMMSFJAQQXPOMV-ZWKOTPCHSA-N 2 0 356.470 0.638 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)c2cn3cc(C[NH3+])ccc3n2)CC1 ZINC001578533565 1275964627 /nfs/dbraw/zinc/96/46/27/1275964627.db2.gz NHYNAOALLQFYAN-UHFFFAOYSA-N 2 0 358.490 0.939 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001578533544 1275965123 /nfs/dbraw/zinc/96/51/23/1275965123.db2.gz MVRJWPAUAXHDEA-KRWDZBQOSA-N 2 0 358.552 0.562 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)C1 ZINC001578669917 1276123732 /nfs/dbraw/zinc/12/37/32/1276123732.db2.gz UJYCLHRSBOZUNA-CABCVRRESA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+]CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001578721317 1276194122 /nfs/dbraw/zinc/19/41/22/1276194122.db2.gz OVBQNTVHNOLKTC-MRXNPFEDSA-N 2 0 371.489 0.861 20 0 FCADRP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784196 1276265236 /nfs/dbraw/zinc/26/52/36/1276265236.db2.gz RYSUIHXIQDNEKH-VIRABCJISA-N 2 0 351.403 0.089 20 0 FCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893825 1276427916 /nfs/dbraw/zinc/42/79/16/1276427916.db2.gz QGXZGTYKGKCPHQ-DLBZAZTESA-N 2 0 369.473 0.994 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N[C@H]3CC[NH2+]C[C@@H]3O)CCCC2)CC1 ZINC001578941724 1276483721 /nfs/dbraw/zinc/48/37/21/1276483721.db2.gz XQEMOBNQIPDHJC-HOTGVXAUSA-N 2 0 354.495 0.432 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N[C@H]3CC[NH2+]C[C@H]3O)CCCC2)CC1 ZINC001578941726 1276483835 /nfs/dbraw/zinc/48/38/35/1276483835.db2.gz XQEMOBNQIPDHJC-JKSUJKDBSA-N 2 0 354.495 0.432 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578970489 1276514726 /nfs/dbraw/zinc/51/47/26/1276514726.db2.gz CTCQZTLWKVEZKA-LBPRGKRZSA-N 2 0 356.434 0.038 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578974844 1276524441 /nfs/dbraw/zinc/52/44/41/1276524441.db2.gz VFHHRWGTRBUNBC-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001578976096 1276525865 /nfs/dbraw/zinc/52/58/65/1276525865.db2.gz NIFAODKDLQIHPL-INIZCTEOSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001578976370 1276527549 /nfs/dbraw/zinc/52/75/49/1276527549.db2.gz WVPAXZXJPWZLPJ-CQSZACIVSA-N 2 0 360.466 0.578 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977852 1276534724 /nfs/dbraw/zinc/53/47/24/1276534724.db2.gz ATJUOQPRGQCXET-QWHCGFSZSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578978270 1276536232 /nfs/dbraw/zinc/53/62/32/1276536232.db2.gz HBDROQGXEMQJJP-UHFFFAOYSA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001578978738 1276537858 /nfs/dbraw/zinc/53/78/58/1276537858.db2.gz NIDCXVQIOFLRRU-OAHLLOKOSA-N 2 0 370.461 0.689 20 0 FCADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001578980215 1276541079 /nfs/dbraw/zinc/54/10/79/1276541079.db2.gz DCUOVEJOJPURCD-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578983546 1276547476 /nfs/dbraw/zinc/54/74/76/1276547476.db2.gz LZYPSIFNWIDAML-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578985174 1276551443 /nfs/dbraw/zinc/55/14/43/1276551443.db2.gz DBMSDRCJFKLTPJ-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001578987751 1276556559 /nfs/dbraw/zinc/55/65/59/1276556559.db2.gz PZKDGGQHPOIOBL-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578987363 1276557779 /nfs/dbraw/zinc/55/77/79/1276557779.db2.gz AJMXPRHLYHAIBA-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP COC[C@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001578989987 1276563790 /nfs/dbraw/zinc/56/37/90/1276563790.db2.gz VMLXXFMPIXPHSZ-ZNMIVQPWSA-N 2 0 352.483 0.504 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578990483 1276563911 /nfs/dbraw/zinc/56/39/11/1276563911.db2.gz CDUHAFMBHDZUGE-SHTZXODSSA-N 2 0 357.462 0.945 20 0 FCADRP COC[C@@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578990311 1276563935 /nfs/dbraw/zinc/56/39/35/1276563935.db2.gz QOZQNVLHNAXVCE-ZXFNITATSA-N 2 0 364.494 0.022 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C[NH+](C)C ZINC001578992375 1276567656 /nfs/dbraw/zinc/56/76/56/1276567656.db2.gz UFSVLKOBLSMQRQ-HZPDHXFCSA-N 2 0 357.462 0.678 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC001579020678 1276599795 /nfs/dbraw/zinc/59/97/95/1276599795.db2.gz HNHOKXLFNHWHAV-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH3+])C[C@@H]1C ZINC001579037576 1276621123 /nfs/dbraw/zinc/62/11/23/1276621123.db2.gz RWCXMLDMCWWSPZ-OWCLPIDISA-N 2 0 366.510 0.881 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172301 1276927447 /nfs/dbraw/zinc/92/74/47/1276927447.db2.gz PEXJGVACHYEAKX-GFCCVEGCSA-N 2 0 361.425 0.506 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001579214436 1277009961 /nfs/dbraw/zinc/00/99/61/1277009961.db2.gz CMTODHVUMVQWPY-CZUORRHYSA-N 2 0 370.461 0.571 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001579215106 1277010852 /nfs/dbraw/zinc/01/08/52/1277010852.db2.gz XYJHDGYTGMQOKP-CJNGLKHVSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160579 1287267705 /nfs/dbraw/zinc/26/77/05/1287267705.db2.gz PVZXKKNMCPRWEY-AIEDFZFUSA-N 2 0 360.462 0.381 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322752 1277137793 /nfs/dbraw/zinc/13/77/93/1277137793.db2.gz GOVZELKWXKUOKD-CJNGLKHVSA-N 2 0 370.461 0.284 20 0 FCADRP CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325278 1277142697 /nfs/dbraw/zinc/14/26/97/1277142697.db2.gz GYNOKLLFYGSRJY-KBPBESRZSA-N 2 0 370.461 0.498 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325467 1277146223 /nfs/dbraw/zinc/14/62/23/1277146223.db2.gz CWQBBQUNPWPODO-ZIAGYGMSSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326483 1277149116 /nfs/dbraw/zinc/14/91/16/1277149116.db2.gz JYFQMSSUVNBOSH-HUUCEWRRSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579326810 1277152026 /nfs/dbraw/zinc/15/20/26/1277152026.db2.gz MQPRWESWYBGUEV-KGLIPLIRSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331603 1277162856 /nfs/dbraw/zinc/16/28/56/1277162856.db2.gz CWTCIBFJKJBCMU-GJZGRUSLSA-N 2 0 355.446 0.509 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001579335162 1277172905 /nfs/dbraw/zinc/17/29/05/1277172905.db2.gz NKYZEYLSTPWQLO-UHFFFAOYSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579339599 1277183393 /nfs/dbraw/zinc/18/33/93/1277183393.db2.gz KHNMWJXQOZHUJI-SOUVJXGZSA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340041 1277184581 /nfs/dbraw/zinc/18/45/81/1277184581.db2.gz PMJKZSAUKJHMEO-KFWWJZLASA-N 2 0 373.436 0.694 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001579340027 1277185050 /nfs/dbraw/zinc/18/50/50/1277185050.db2.gz PJESKYFLNFPHPP-LBPRGKRZSA-N 2 0 363.491 0.818 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340045 1277186008 /nfs/dbraw/zinc/18/60/08/1277186008.db2.gz PMJKZSAUKJHMEO-RBSFLKMASA-N 2 0 373.436 0.694 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001579343818 1277192437 /nfs/dbraw/zinc/19/24/37/1277192437.db2.gz KYKKWSOEHBKJLD-GZBFAFLISA-N 2 0 356.496 0.010 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343657 1277193085 /nfs/dbraw/zinc/19/30/85/1277193085.db2.gz AXLMUKBESBEMHM-MELADBBJSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579346971 1277199141 /nfs/dbraw/zinc/19/91/41/1277199141.db2.gz VLIJUXCHGOEVSQ-OAHLLOKOSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579347293 1277201110 /nfs/dbraw/zinc/20/11/10/1277201110.db2.gz AHODPUPLNZKFFU-BPUTZDHNSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347884 1277201124 /nfs/dbraw/zinc/20/11/24/1277201124.db2.gz NTMFOIHODGOJKA-JHJVBQTASA-N 2 0 356.434 0.085 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352915 1277209492 /nfs/dbraw/zinc/20/94/92/1277209492.db2.gz BCZHJOHXEBZLPJ-KRWDZBQOSA-N 2 0 369.473 0.995 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355050 1277217697 /nfs/dbraw/zinc/21/76/97/1277217697.db2.gz CHJFPPHTLDTMLQ-SJORKVTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357008 1277223978 /nfs/dbraw/zinc/22/39/78/1277223978.db2.gz SJIOUQYVKAFXOS-GDBMZVCRSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579358433 1277227032 /nfs/dbraw/zinc/22/70/32/1277227032.db2.gz DNPNNORJFQJPIV-OAHLLOKOSA-N 2 0 355.446 0.699 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358314 1277227157 /nfs/dbraw/zinc/22/71/57/1277227157.db2.gz BSZDFXFPPDWPJV-INIZCTEOSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361599 1277239428 /nfs/dbraw/zinc/23/94/28/1277239428.db2.gz OUYPRTDVJYQESS-HOCLYGCPSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579375031 1277256960 /nfs/dbraw/zinc/25/69/60/1277256960.db2.gz PFPJVUHGEYTNIC-DJIMGWMZSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC001579444338 1277332079 /nfs/dbraw/zinc/33/20/79/1277332079.db2.gz FUMUWUKDODMNKS-OAHLLOKOSA-N 2 0 373.505 0.918 20 0 FCADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529929 1277492239 /nfs/dbraw/zinc/49/22/39/1277492239.db2.gz ONKPYTHZGWGWJF-JXFKEZNVSA-N 2 0 355.486 0.975 20 0 FCADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646673 1277715040 /nfs/dbraw/zinc/71/50/40/1277715040.db2.gz OWWHJBWLBPHHJV-ROUUACIJSA-N 2 0 357.502 0.994 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC001580222542 1278046156 /nfs/dbraw/zinc/04/61/56/1278046156.db2.gz XBVSWOPULKVCAU-CVEARBPZSA-N 2 0 353.511 0.781 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001580272518 1278066197 /nfs/dbraw/zinc/06/61/97/1278066197.db2.gz CIEUSFHBAYEVNU-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940504 1279148207 /nfs/dbraw/zinc/14/82/07/1279148207.db2.gz AIVSVAPSDWDLNG-TZMCWYRMSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942760 1279150789 /nfs/dbraw/zinc/15/07/89/1279150789.db2.gz ZPEPSLDNBNZXKR-ZFWWWQNUSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949101 1279154895 /nfs/dbraw/zinc/15/48/95/1279154895.db2.gz NSYPKEBKJNUZHI-KBPBESRZSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962037 1279167563 /nfs/dbraw/zinc/16/75/63/1279167563.db2.gz NMGZZWOWHCVHHX-KGLIPLIRSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975234 1279176391 /nfs/dbraw/zinc/17/63/91/1279176391.db2.gz ARAQKAZMEOBKFW-IUODEOHRSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977796 1279177104 /nfs/dbraw/zinc/17/71/04/1279177104.db2.gz PYLAADRYLSFXMR-VIKVFOODSA-N 2 0 356.434 0.073 20 0 FCADRP Cc1cc(N[C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580986821 1279182372 /nfs/dbraw/zinc/18/23/72/1279182372.db2.gz CWRBKYKRFPMUMU-OLZOCXBDSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987081 1279183770 /nfs/dbraw/zinc/18/37/70/1279183770.db2.gz FOUITEIKNQQUBB-ABAIWWIYSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989483 1279190502 /nfs/dbraw/zinc/19/05/02/1279190502.db2.gz NPKQCMZBKWQTMW-QWHCGFSZSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991423 1279194639 /nfs/dbraw/zinc/19/46/39/1279194639.db2.gz OSEWUGLJGZKDGH-XJKSGUPXSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994523 1279201246 /nfs/dbraw/zinc/20/12/46/1279201246.db2.gz OAKWWYNDPBTYNX-CYBMUJFWSA-N 2 0 370.461 0.537 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996152 1279207414 /nfs/dbraw/zinc/20/74/14/1279207414.db2.gz WBWIDZIEBGRJKA-AWEZNQCLSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NC2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002009 1279217516 /nfs/dbraw/zinc/21/75/16/1279217516.db2.gz MFRPGXLMCGKHQW-SEEARECTSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004249 1279222823 /nfs/dbraw/zinc/22/28/23/1279222823.db2.gz OWQLZIPPXRMLAE-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006293 1279225125 /nfs/dbraw/zinc/22/51/25/1279225125.db2.gz OMTBGTXTQKPVKU-DOMZBBRYSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006948 1279227066 /nfs/dbraw/zinc/22/70/66/1279227066.db2.gz YLVZETJNJWDIMH-OCCSQVGLSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010407 1279236478 /nfs/dbraw/zinc/23/64/78/1279236478.db2.gz MJILLUXBBKSEJP-BLLLJJGKSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011024 1279237436 /nfs/dbraw/zinc/23/74/36/1279237436.db2.gz AYXTVZDUTRMFNL-CJNGLKHVSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@H](CC(C)C)NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011133 1279237672 /nfs/dbraw/zinc/23/76/72/1279237672.db2.gz DAJPRMFUVCQPAH-AWEZNQCLSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011415 1279237863 /nfs/dbraw/zinc/23/78/63/1279237863.db2.gz JZUQEYZTUJLJFU-SWLSCSKDSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016325 1279246039 /nfs/dbraw/zinc/24/60/39/1279246039.db2.gz LBPJBPKZXFFSFL-OAHLLOKOSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(NC[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581017766 1279248026 /nfs/dbraw/zinc/24/80/26/1279248026.db2.gz SHIUONUCUAEQAN-GOSISDBHSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026028 1279259859 /nfs/dbraw/zinc/25/98/59/1279259859.db2.gz ANTXXHAKYMTKTK-MRXNPFEDSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031903 1279269251 /nfs/dbraw/zinc/26/92/51/1279269251.db2.gz MQEQBUWQJHYHTA-AAEUAGOBSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036320 1279272847 /nfs/dbraw/zinc/27/28/47/1279272847.db2.gz MZDZPORGVONDID-UONOGXRCSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038165 1279274700 /nfs/dbraw/zinc/27/47/00/1279274700.db2.gz FTJHFZKVLAEBNJ-BNOWGMLFSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039259 1279276090 /nfs/dbraw/zinc/27/60/90/1279276090.db2.gz QOJJYISNZGPURA-JOCQHMNTSA-N 2 0 356.434 0.147 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038979 1279276274 /nfs/dbraw/zinc/27/62/74/1279276274.db2.gz HZCJNCPZPSOVJY-JOCQHMNTSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-c1nn[nH]n1 ZINC001581421213 1279914130 /nfs/dbraw/zinc/91/41/30/1279914130.db2.gz MLCOJUHKAYWNLM-ZIAGYGMSSA-N 2 0 372.477 0.382 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+]1CCC2 ZINC001603493447 1287390434 /nfs/dbraw/zinc/39/04/34/1287390434.db2.gz MYHFQEPHTPRTTK-CYBMUJFWSA-N 2 0 370.461 0.619 20 0 FCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001603599173 1287434873 /nfs/dbraw/zinc/43/48/73/1287434873.db2.gz QAOYNZZPAIWABC-OLZOCXBDSA-N 2 0 360.466 0.676 20 0 FCADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603610123 1287441705 /nfs/dbraw/zinc/44/17/05/1287441705.db2.gz WXVBKSUEWBLNJV-QWHCGFSZSA-N 2 0 370.461 0.617 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001603610121 1287442595 /nfs/dbraw/zinc/44/25/95/1287442595.db2.gz WXVBKSUEWBLNJV-OLZOCXBDSA-N 2 0 370.461 0.617 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582097286 1281051771 /nfs/dbraw/zinc/05/17/71/1281051771.db2.gz CAUWZZDPZROEJO-QGZVFWFLSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582097542 1281052589 /nfs/dbraw/zinc/05/25/89/1281052589.db2.gz JDSZJEXPSQAKAI-AWEZNQCLSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582097832 1281053638 /nfs/dbraw/zinc/05/36/38/1281053638.db2.gz PKBZHWMFKXJDHI-OAHLLOKOSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582098026 1281053855 /nfs/dbraw/zinc/05/38/55/1281053855.db2.gz YXQONYPFUBKYLB-AWEZNQCLSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582100468 1281056767 /nfs/dbraw/zinc/05/67/67/1281056767.db2.gz HYQKQWJJETWXFC-JCNLHEQBSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582423956 1281490065 /nfs/dbraw/zinc/49/00/65/1281490065.db2.gz VWDQRYWZBONRBM-UHFFFAOYSA-N 2 0 368.445 0.086 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001584958890 1282185005 /nfs/dbraw/zinc/18/50/05/1282185005.db2.gz IJESUZXWXZAPHH-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198607 1287587593 /nfs/dbraw/zinc/58/75/93/1287587593.db2.gz OOSQNLPPEIXMOS-QWHCGFSZSA-N 2 0 360.466 0.721 20 0 FCADRP CC(C)[C@@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001589418419 1282875836 /nfs/dbraw/zinc/87/58/36/1282875836.db2.gz QUXGIIYJDJEVLC-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716274 1282960723 /nfs/dbraw/zinc/96/07/23/1282960723.db2.gz GACKIRYTDXIHAY-CWDCEQMOSA-N 2 0 370.461 0.641 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716684 1282961092 /nfs/dbraw/zinc/96/10/92/1282961092.db2.gz KRSZYNVXEIFZBN-HNNXBMFYSA-N 2 0 358.450 0.475 20 0 FCADRP CC(C)[C@@H](C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589762580 1282984646 /nfs/dbraw/zinc/98/46/46/1282984646.db2.gz FKBJGPJRWGGDFY-YVACAVLKSA-N 2 0 358.450 0.354 20 0 FCADRP C[C@@]1(O)CC[NH+](Cc2cc(C[N@H+]3CC[C@@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150472 1283246506 /nfs/dbraw/zinc/24/65/06/1283246506.db2.gz QYABYZLYHIAKNJ-RTBURBONSA-N 2 0 372.473 0.780 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH3+] ZINC001590192627 1283297659 /nfs/dbraw/zinc/29/76/59/1283297659.db2.gz VITMZUYAFKHUMV-CLWVCHIJSA-N 2 0 360.462 0.912 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682494848 1283623890 /nfs/dbraw/zinc/62/38/90/1283623890.db2.gz DSDZEEYGHSKGRW-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590866570 1283939220 /nfs/dbraw/zinc/93/92/20/1283939220.db2.gz KEEXXPREALEWSZ-SWLSCSKDSA-N 2 0 360.466 0.721 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1OC ZINC001683325789 1283944163 /nfs/dbraw/zinc/94/41/63/1283944163.db2.gz VYTOBORPPAWOHS-ARFHVFGLSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2CO)C[C@H]1C[NH+](C)C ZINC001591021057 1284076877 /nfs/dbraw/zinc/07/68/77/1284076877.db2.gz AXIMMHGNMWAKCL-HZPDHXFCSA-N 2 0 359.478 0.535 20 0 FCADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071168 1284131851 /nfs/dbraw/zinc/13/18/51/1284131851.db2.gz PJUYGAOCMBBRBK-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1([NH+](C)C)CCC1 ZINC001591089603 1284158864 /nfs/dbraw/zinc/15/88/64/1284158864.db2.gz QWUXDIIGRVAOMJ-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001591175107 1284261228 /nfs/dbraw/zinc/26/12/28/1284261228.db2.gz GYGUSRWPQLQTHF-UHFFFAOYSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174900 1284262396 /nfs/dbraw/zinc/26/23/96/1284262396.db2.gz CJYLKKBARWODNN-ZIAGYGMSSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175957 1284264961 /nfs/dbraw/zinc/26/49/61/1284264961.db2.gz ANOAGADLFRFCSH-LBPRGKRZSA-N 2 0 363.491 0.866 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175690 1284266650 /nfs/dbraw/zinc/26/66/50/1284266650.db2.gz RNUJGYVZSFFZID-ARWYELJZSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187347 1284298536 /nfs/dbraw/zinc/29/85/36/1284298536.db2.gz QJWBOJLVCLNTIU-RXYHWBRQSA-N 2 0 355.446 0.723 20 0 FCADRP C[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591217529 1284353578 /nfs/dbraw/zinc/35/35/78/1284353578.db2.gz INLFFVUNQNYBHQ-UHFFFAOYSA-N 2 0 360.466 0.549 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)CC1 ZINC001604680936 1287727690 /nfs/dbraw/zinc/72/76/90/1287727690.db2.gz RLWBANGUHCKHBM-UHFFFAOYSA-N 2 0 370.461 0.476 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683361 1287731620 /nfs/dbraw/zinc/73/16/20/1287731620.db2.gz SSDUDEZMSJBXBX-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591752521 1284878615 /nfs/dbraw/zinc/87/86/15/1284878615.db2.gz NXCDGKJZZBEMPX-CZUORRHYSA-N 2 0 372.477 0.548 20 0 FCADRP Cc1cc(NCCNC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048761 1285092615 /nfs/dbraw/zinc/09/26/15/1285092615.db2.gz VHBBJCYDNQJQEO-UHFFFAOYSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(NCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049191 1285094157 /nfs/dbraw/zinc/09/41/57/1285094157.db2.gz KGMQOLSDXWJLAC-BBRMVZONSA-N 2 0 370.461 0.537 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1-c1nn[nH]n1 ZINC001592154857 1285162556 /nfs/dbraw/zinc/16/25/56/1285162556.db2.gz MBQJGDUAGFYOEQ-HNNXBMFYSA-N 2 0 357.462 0.995 20 0 FCADRP FC(F)(F)c1cc(-c2nn[nH]n2)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC001592620139 1285557711 /nfs/dbraw/zinc/55/77/11/1285557711.db2.gz NTZPLBKZPKHTIC-UHFFFAOYSA-N 2 0 355.368 0.880 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038326 1285922022 /nfs/dbraw/zinc/92/20/22/1285922022.db2.gz RYXJVJLESTZUPS-WBVHZDCISA-N 2 0 369.473 0.947 20 0 FCADRP COC(=O)C1CC[NH+](CCCNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001609296668 1289065828 /nfs/dbraw/zinc/06/58/28/1289065828.db2.gz QKLBMADHEFKKIU-UHFFFAOYSA-N 2 0 359.434 0.679 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001604854362 1287799181 /nfs/dbraw/zinc/79/91/81/1287799181.db2.gz LXFXXOMKEDHVCY-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243995 1287936834 /nfs/dbraw/zinc/93/68/34/1287936834.db2.gz PEAKESLSZACPNT-ARFHVFGLSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001605431371 1287960218 /nfs/dbraw/zinc/96/02/18/1287960218.db2.gz MDQCOZYXXZFHCR-JHJVBQTASA-N 2 0 356.434 0.037 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[NH+]1CCCCC1 ZINC001605436125 1287963770 /nfs/dbraw/zinc/96/37/70/1287963770.db2.gz QHMOIBSJWHXHMV-CYBMUJFWSA-N 2 0 358.450 0.476 20 0 FCADRP Cc1cc(NC2CC(CNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605723077 1288061977 /nfs/dbraw/zinc/06/19/77/1288061977.db2.gz NMSILTFWCCHLHG-UHFFFAOYSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726675 1288063681 /nfs/dbraw/zinc/06/36/81/1288063681.db2.gz JYNRTFQZBQMTLK-CJNGLKHVSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605734661 1288066357 /nfs/dbraw/zinc/06/63/57/1288066357.db2.gz JKONTZMQEDQPON-UHFFFAOYSA-N 2 0 358.450 0.347 20 0 FCADRP O=C(C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)NCC[NH+]1CCCCC1 ZINC001606554418 1288382759 /nfs/dbraw/zinc/38/27/59/1288382759.db2.gz LFNKVJDDPDXMBO-MRXNPFEDSA-N 2 0 373.461 0.092 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001731802789 1288566393 /nfs/dbraw/zinc/56/63/93/1288566393.db2.gz BRUNGMPTZPCZTP-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732085676 1288573693 /nfs/dbraw/zinc/57/36/93/1288573693.db2.gz VNQQZZWSIZJHKM-BFYDXBDKSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1cccnc1 ZINC001732342918 1288581871 /nfs/dbraw/zinc/58/18/71/1288581871.db2.gz LCTHJVYYFBYYME-ZMSDIMECSA-N 2 0 361.490 0.380 20 0 FCADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172955 1288965349 /nfs/dbraw/zinc/96/53/49/1288965349.db2.gz HJRZODDPMLVJQZ-RHSMWYFYSA-N 2 0 360.462 0.991 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001735894574 1289004074 /nfs/dbraw/zinc/00/40/74/1289004074.db2.gz RXECTIMQPORFMH-BFYDXBDKSA-N 2 0 356.511 0.256 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001736232332 1289211036 /nfs/dbraw/zinc/21/10/36/1289211036.db2.gz WZDTUYUAJBRCAS-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](CCC[C@H](C)O)CC2)CC[N@@H+]1C ZINC001691933778 1289345168 /nfs/dbraw/zinc/34/51/68/1289345168.db2.gz QZOUAXOIQILFDW-GBESFXJTSA-N 2 0 368.566 0.954 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](OCC)C1 ZINC001692031404 1289371770 /nfs/dbraw/zinc/37/17/70/1289371770.db2.gz AYHGELSPVMVGEF-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692031431 1289372395 /nfs/dbraw/zinc/37/23/95/1289372395.db2.gz CNIBVJQIUOXVRP-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001692061831 1289380303 /nfs/dbraw/zinc/38/03/03/1289380303.db2.gz MDJIEWNQWKXGJP-NRSFXHEJSA-N 2 0 362.518 0.633 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001692277653 1289441549 /nfs/dbraw/zinc/44/15/49/1289441549.db2.gz NAEIJRVBZDEYSA-CVEARBPZSA-N 2 0 364.490 0.258 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CCCC2)CC[N@@H+]1C ZINC001698798330 1289536254 /nfs/dbraw/zinc/53/62/54/1289536254.db2.gz NOKZPMYHJORIIO-HUUCEWRRSA-N 2 0 364.490 0.494 20 0 FCADRP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001698998619 1289542268 /nfs/dbraw/zinc/54/22/68/1289542268.db2.gz FXUQUYQWCWFIMY-OTWHNJEPSA-N 2 0 363.502 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001737429315 1289547794 /nfs/dbraw/zinc/54/77/94/1289547794.db2.gz AQENOORUYUMFEL-WCXIOVBPSA-N 2 0 362.518 0.870 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309249 1289550004 /nfs/dbraw/zinc/55/00/04/1289550004.db2.gz XJOQUNAVFOCFAS-DRDDEIGGSA-N 2 0 370.497 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCc3nnn(C(C)(C)C)n3)CC2)CC[N@@H+]1C ZINC001699652129 1289560537 /nfs/dbraw/zinc/56/05/37/1289560537.db2.gz WFGQZNROSSGUFF-ZIAGYGMSSA-N 2 0 363.510 0.549 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001739579002 1290187374 /nfs/dbraw/zinc/18/73/74/1290187374.db2.gz PZYHTMUWBAIXKP-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001739590111 1290207714 /nfs/dbraw/zinc/20/77/14/1290207714.db2.gz OMBISQPAUNAFJL-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001739719627 1290391546 /nfs/dbraw/zinc/39/15/46/1290391546.db2.gz LQJLTAWCBIADIW-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001757229778 1290747558 /nfs/dbraw/zinc/74/75/58/1290747558.db2.gz TVEGGRRJKKKATC-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N1CC[NH+](C)CC1 ZINC001661353992 1291690273 /nfs/dbraw/zinc/69/02/73/1291690273.db2.gz KMWGHROIGPKYGG-LBPRGKRZSA-N 2 0 360.911 0.713 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001673434028 1292108296 /nfs/dbraw/zinc/10/82/96/1292108296.db2.gz BJEACHJBTAZKRX-RBSFLKMASA-N 2 0 369.510 0.341 20 0 FCADRP Cn1ccnc1[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001673552128 1292114448 /nfs/dbraw/zinc/11/44/48/1292114448.db2.gz LIGBVEJBDGANSJ-HOTGVXAUSA-N 2 0 366.510 0.775 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601276 1292310785 /nfs/dbraw/zinc/31/07/85/1292310785.db2.gz KOVDAKJQWIMVBQ-HZPDHXFCSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001688566589 1294508938 /nfs/dbraw/zinc/50/89/38/1294508938.db2.gz TYLVULKJUULCMT-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001689086505 1294606651 /nfs/dbraw/zinc/60/66/51/1294606651.db2.gz SEILBJGBTUIQHB-ZACQAIPSSA-N 2 0 368.522 0.353 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001689106498 1294619277 /nfs/dbraw/zinc/61/92/77/1294619277.db2.gz IRYHSMYZQNTTAB-PMPSAXMXSA-N 2 0 353.511 0.569 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001689222362 1294678030 /nfs/dbraw/zinc/67/80/30/1294678030.db2.gz LPYBCCWVANPHBL-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001689603329 1294809662 /nfs/dbraw/zinc/80/96/62/1294809662.db2.gz UAGMATXNUXYNAB-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCCc1ccsc1 ZINC001690576591 1294872084 /nfs/dbraw/zinc/87/20/84/1294872084.db2.gz DSWHSJJECDMTIM-IIAWOOMASA-N 2 0 366.531 0.841 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C[NH3+])ncn1)CCC2 ZINC001164814705 720217205 /nfs/dbraw/zinc/21/72/05/720217205.db2.gz VQTQNYOTBLXQAR-UHFFFAOYSA-N 2 0 357.462 0.743 20 0 FCADRP c1ncc(O[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164742301 720641418 /nfs/dbraw/zinc/64/14/18/720641418.db2.gz MOVQJLKBECFHLX-LSDHHAIUSA-N 2 0 353.430 0.254 20 0 FCADRP Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164743435 720807662 /nfs/dbraw/zinc/80/76/62/720807662.db2.gz FZDKHBLXXABCSY-HOTGVXAUSA-N 2 0 367.457 0.604 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164923179 721848376 /nfs/dbraw/zinc/84/83/76/721848376.db2.gz SPLPXLANMNVOFV-HUUCEWRRSA-N 2 0 350.898 0.990 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070207694 837634230 /nfs/dbraw/zinc/63/42/30/837634230.db2.gz JRRUXVABURRVEC-OAGGEKHMSA-N 2 0 352.458 0.567 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275523 837642488 /nfs/dbraw/zinc/64/24/88/837642488.db2.gz QKJLMNRXNQCYPG-KEYYUXOJSA-N 2 0 352.458 0.852 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070381454 837651220 /nfs/dbraw/zinc/65/12/20/837651220.db2.gz AWWHLCLRGZSBMR-GMBSWORKSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001070382898 837651229 /nfs/dbraw/zinc/65/12/29/837651229.db2.gz XUHVQANYOAGMHS-APWZRJJASA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382734 837651393 /nfs/dbraw/zinc/65/13/93/837651393.db2.gz OQZARRIQECYNNU-JZXOWHBKSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924788 837701891 /nfs/dbraw/zinc/70/18/91/837701891.db2.gz SODDGYIIPGALSU-OAGGEKHMSA-N 2 0 350.463 0.597 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001099341600 844034023 /nfs/dbraw/zinc/03/40/23/844034023.db2.gz KLDYMUKKKLAYKF-MGPQQGTHSA-N 2 0 359.396 0.814 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099343268 844036156 /nfs/dbraw/zinc/03/61/56/844036156.db2.gz FXRYWVKIHVILRE-GRYCIOLGSA-N 2 0 350.385 0.325 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187770 836066775 /nfs/dbraw/zinc/06/67/75/836066775.db2.gz YPPKBXRXFMZENY-RDJZCZTQSA-N 2 0 352.504 0.637 20 0 FCADRP O=S1(=O)CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000463118034 836075365 /nfs/dbraw/zinc/07/53/65/836075365.db2.gz YNRZJASNINJWHE-UHFFFAOYSA-N 2 0 352.504 0.761 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)CC1 ZINC000746190087 836165705 /nfs/dbraw/zinc/16/57/05/836165705.db2.gz FSKYZPRVBQPRNT-KRWDZBQOSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285290 844134401 /nfs/dbraw/zinc/13/44/01/844134401.db2.gz WWCSXOOYXXMRGN-VCBZYWHSSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284013 844134423 /nfs/dbraw/zinc/13/44/23/844134423.db2.gz IIFAAAMPBVDDLY-BEFAXECRSA-N 2 0 352.523 0.975 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351385 844155301 /nfs/dbraw/zinc/15/53/01/844155301.db2.gz FVINOUVAOKOFKK-QAPCUYQASA-N 2 0 366.531 0.950 20 0 FCADRP C[C@H](C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101352328 844156148 /nfs/dbraw/zinc/15/61/48/844156148.db2.gz AKGLMBDVSZRCAX-INMHGKMJSA-N 2 0 359.536 0.399 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353054 844156714 /nfs/dbraw/zinc/15/67/14/844156714.db2.gz QNPNZBOZZAXGJZ-FCEWJHQRSA-N 2 0 352.523 0.975 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368962 844162952 /nfs/dbraw/zinc/16/29/52/844162952.db2.gz WLKGCZNXMIPHNE-KHYOSLBOSA-N 2 0 352.523 0.879 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363857 844160887 /nfs/dbraw/zinc/16/08/87/844160887.db2.gz CLJWKFOHOMNLBL-SCTDSRPQSA-N 2 0 353.507 0.914 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000751040678 836460963 /nfs/dbraw/zinc/46/09/63/836460963.db2.gz VXWJPAQTCKIJSQ-HNNXBMFYSA-N 2 0 355.552 0.487 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038150 836461517 /nfs/dbraw/zinc/46/15/17/836461517.db2.gz IYZHPGRUAHPHTC-JKSUJKDBSA-N 2 0 369.579 0.878 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382340 844167044 /nfs/dbraw/zinc/16/70/44/844167044.db2.gz CAZLQJCSTKEUKJ-LMMKCTJWSA-N 2 0 353.507 0.506 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418507 844180655 /nfs/dbraw/zinc/18/06/55/844180655.db2.gz VNPAPDWGSYZLGU-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435569 844185921 /nfs/dbraw/zinc/18/59/21/844185921.db2.gz XDIQJIDIUHGGPR-MDZRGWNJSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429991 844184014 /nfs/dbraw/zinc/18/40/14/844184014.db2.gz JPLLESBDDCXRML-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431190 844184094 /nfs/dbraw/zinc/18/40/94/844184094.db2.gz CIRIZKOMVIUKOG-AEFFLSMTSA-N 2 0 351.491 0.526 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101438769 844187152 /nfs/dbraw/zinc/18/71/52/844187152.db2.gz SESBYEYCBKBTBF-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621210 836701600 /nfs/dbraw/zinc/70/16/00/836701600.db2.gz PURSJYOWGKBAOD-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621410 836701952 /nfs/dbraw/zinc/70/19/52/836701952.db2.gz VINBGUZDPZADDF-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461537 844193669 /nfs/dbraw/zinc/19/36/69/844193669.db2.gz HPCILPRHPICPKE-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+](C)C3CCC3)CCC2)CC[N@@H+]1C ZINC001063224495 836759192 /nfs/dbraw/zinc/75/91/92/836759192.db2.gz PNEDFVVNVSBWCH-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001076987088 838196496 /nfs/dbraw/zinc/19/64/96/838196496.db2.gz BXWSHCBMRCHNML-FGTMMUONSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002937 838207933 /nfs/dbraw/zinc/20/79/33/838207933.db2.gz MNLVBHSEVHOXCS-KZNAEPCWSA-N 2 0 351.491 0.306 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001077015382 838216166 /nfs/dbraw/zinc/21/61/66/838216166.db2.gz RUKKDACANIOJNE-TVFCKZIOSA-N 2 0 351.491 0.305 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077027794 838225885 /nfs/dbraw/zinc/22/58/85/838225885.db2.gz PRHHVTTZYFDLQW-BSDSXHPESA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077129225 838754860 /nfs/dbraw/zinc/75/48/60/838754860.db2.gz ZPRXWSIMNPIUAZ-KZNAEPCWSA-N 2 0 351.491 0.591 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077131532 838757294 /nfs/dbraw/zinc/75/72/94/838757294.db2.gz FDRDJHDDTRPZBU-CGTJXYLNSA-N 2 0 353.507 0.980 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219281 838823132 /nfs/dbraw/zinc/82/31/32/838823132.db2.gz OISKGEKAEUXAOV-IAGOWNOFSA-N 2 0 351.491 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102015196 844372807 /nfs/dbraw/zinc/37/28/07/844372807.db2.gz ADPLBBPQHGYDCU-OAGGEKHMSA-N 2 0 356.486 0.583 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299464 838887420 /nfs/dbraw/zinc/88/74/20/838887420.db2.gz CORBAFRWSOJHOH-BRWVUGGUSA-N 2 0 351.491 0.735 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440925 838968309 /nfs/dbraw/zinc/96/83/09/838968309.db2.gz XYHAGHHJVXKEQG-KURKYZTESA-N 2 0 351.491 0.449 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046029 844394601 /nfs/dbraw/zinc/39/46/01/844394601.db2.gz IQKNCAYJOPVMEI-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048615 844396142 /nfs/dbraw/zinc/39/61/42/844396142.db2.gz ILZUTKUSXFVXNQ-XYPHTWIQSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051626 844396314 /nfs/dbraw/zinc/39/63/14/844396314.db2.gz BFBCAGNOSGLYRA-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC001078405037 839458315 /nfs/dbraw/zinc/45/83/15/839458315.db2.gz CFUCLIMVKKJYHR-UMVBOHGHSA-N 2 0 353.492 0.585 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102191320 844439968 /nfs/dbraw/zinc/43/99/68/844439968.db2.gz UTJPGMNZWHCMTH-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079944311 839628766 /nfs/dbraw/zinc/62/87/66/839628766.db2.gz XYJFNFJUICUWOX-GDBMZVCRSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286914 844458511 /nfs/dbraw/zinc/45/85/11/844458511.db2.gz CVWPQZBCXRRANN-HUUCEWRRSA-N 2 0 350.507 0.633 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320560 844466602 /nfs/dbraw/zinc/46/66/02/844466602.db2.gz IJKAQXDLKNCJKX-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080936168 839836673 /nfs/dbraw/zinc/83/66/73/839836673.db2.gz LPCMFIVJLFAGBG-BPLDGKMQSA-N 2 0 352.504 0.606 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102368318 844476273 /nfs/dbraw/zinc/47/62/73/844476273.db2.gz PNMPWGQKEFJVRS-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369921 844478232 /nfs/dbraw/zinc/47/82/32/844478232.db2.gz KRAUGXFRTGAMCT-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081673086 839994211 /nfs/dbraw/zinc/99/42/11/839994211.db2.gz XBXIDDDQGBOSJC-KZNAEPCWSA-N 2 0 351.491 0.570 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894933 840091950 /nfs/dbraw/zinc/09/19/50/840091950.db2.gz KDBFGOXRYOMZFO-BRWVUGGUSA-N 2 0 351.491 0.999 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095652 840183292 /nfs/dbraw/zinc/18/32/92/840183292.db2.gz BGGMUBSWQYPDMB-QZTJIDSGSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102475532 844516096 /nfs/dbraw/zinc/51/60/96/844516096.db2.gz RYPYRACUWDBUMA-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082558891 840465217 /nfs/dbraw/zinc/46/52/17/840465217.db2.gz KTMZEUZRMRMYCS-KYJSFNMBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082557691 840465452 /nfs/dbraw/zinc/46/54/52/840465452.db2.gz ZMTVFZRCDPUNHY-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CCc1nocc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511324 844542184 /nfs/dbraw/zinc/54/21/84/844542184.db2.gz RVLBYBRXYRWKSB-HUUCEWRRSA-N 2 0 352.479 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082595384 840481704 /nfs/dbraw/zinc/48/17/04/840481704.db2.gz JYWJCIZKFFNUMM-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082705670 840531883 /nfs/dbraw/zinc/53/18/83/840531883.db2.gz SNTSJJBGNMGFIE-FXUDXRNXSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082743281 840543266 /nfs/dbraw/zinc/54/32/66/840543266.db2.gz RKHDEVHWOMXOKA-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082741310 840543382 /nfs/dbraw/zinc/54/33/82/840543382.db2.gz WUGLYQHBVDTJAD-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520772 844550002 /nfs/dbraw/zinc/55/00/02/844550002.db2.gz ZSPZMAQTZFQNFC-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082783890 840558965 /nfs/dbraw/zinc/55/89/65/840558965.db2.gz XJRCVECTAYMCBU-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082783819 840559166 /nfs/dbraw/zinc/55/91/66/840559166.db2.gz QRTMSUCZJNOZHU-GDBMZVCRSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082822118 840574364 /nfs/dbraw/zinc/57/43/64/840574364.db2.gz LQVMXWUQJSGFOC-BRWVUGGUSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082920189 840602012 /nfs/dbraw/zinc/60/20/12/840602012.db2.gz ULJPBVWJHGVUDH-FVQBIDKESA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082920190 840602021 /nfs/dbraw/zinc/60/20/21/840602021.db2.gz ULJPBVWJHGVUDH-VNQPRFMTSA-N 2 0 357.520 0.199 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923686 840605064 /nfs/dbraw/zinc/60/50/64/840605064.db2.gz XFJBMLQEBOFILW-JKIFEVAISA-N 2 0 350.463 0.888 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082943625 840617158 /nfs/dbraw/zinc/61/71/58/840617158.db2.gz SVUSGZPNBQHQCO-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083148950 840753612 /nfs/dbraw/zinc/75/36/12/840753612.db2.gz PIYLSXGIRVHCFC-HNCZQISISA-N 2 0 353.438 0.121 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578014 844571697 /nfs/dbraw/zinc/57/16/97/844571697.db2.gz HPPHEJAENVGBFT-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578285 844572567 /nfs/dbraw/zinc/57/25/67/844572567.db2.gz ULCGSAARLWCIAW-OWCLPIDISA-N 2 0 353.511 0.330 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578281 844572754 /nfs/dbraw/zinc/57/27/54/844572754.db2.gz UEVCFLIJKOUMGN-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579827 844575194 /nfs/dbraw/zinc/57/51/94/844575194.db2.gz RLNXNHSPVFXTBC-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582967 844576807 /nfs/dbraw/zinc/57/68/07/844576807.db2.gz HFNUBONSWJFPGU-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274893 840857406 /nfs/dbraw/zinc/85/74/06/840857406.db2.gz FAWMUYJXQAVYSB-OWCLPIDISA-N 2 0 364.515 0.857 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560165 841170538 /nfs/dbraw/zinc/17/05/38/841170538.db2.gz UDVCIDQVXAXCPI-ZACQAIPSSA-N 2 0 351.491 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083594172 841212518 /nfs/dbraw/zinc/21/25/18/841212518.db2.gz PHCHTEPWDKYVSL-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831324 841474557 /nfs/dbraw/zinc/47/45/57/841474557.db2.gz GXRABASQGGPDIR-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833428 841478657 /nfs/dbraw/zinc/47/86/57/841478657.db2.gz ASGOYLCVJQSUPL-CVEARBPZSA-N 2 0 366.531 0.887 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3COC(C)(C)O3)C2)C1=O ZINC001275813108 861206965 /nfs/dbraw/zinc/20/69/65/861206965.db2.gz NXRUBHWDKNOQIB-KBXCAEBGSA-N 2 0 353.463 0.541 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)CC1 ZINC001084352118 841774489 /nfs/dbraw/zinc/77/44/89/841774489.db2.gz RSZMXKFZAYPETL-TVFCKZIOSA-N 2 0 351.491 0.258 20 0 FCADRP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084405242 841788284 /nfs/dbraw/zinc/78/82/84/841788284.db2.gz DQJZZUVLWSZODM-BPQIPLTHSA-N 2 0 351.491 0.545 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084449018 841797675 /nfs/dbraw/zinc/79/76/75/841797675.db2.gz OOPNATXOGBQLJT-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877623 861239594 /nfs/dbraw/zinc/23/95/94/861239594.db2.gz CKURMUMVEHWVRJ-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877372 861239872 /nfs/dbraw/zinc/23/98/72/861239872.db2.gz AZSLYKDCILGPKX-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877369 861240605 /nfs/dbraw/zinc/24/06/05/861240605.db2.gz AZSLYKDCILGPKX-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877616 861241381 /nfs/dbraw/zinc/24/13/81/861241381.db2.gz CKURMUMVEHWVRJ-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879213 861243035 /nfs/dbraw/zinc/24/30/35/861243035.db2.gz OUKZEMLSFMIVDC-WMZOPIPTSA-N 2 0 371.547 0.687 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880108 861245984 /nfs/dbraw/zinc/24/59/84/861245984.db2.gz UCALFPXVDUJWKF-DNVCBOLYSA-N 2 0 350.507 0.777 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001275893164 861251502 /nfs/dbraw/zinc/25/15/02/861251502.db2.gz SQISZNWHSXOCRO-QZTJIDSGSA-N 2 0 350.507 0.872 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001275893441 861251625 /nfs/dbraw/zinc/25/16/25/861251625.db2.gz YMNYYDFDMOXLIM-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001084970663 841974198 /nfs/dbraw/zinc/97/41/98/841974198.db2.gz OTAGTYXUNMMECV-OAGGEKHMSA-N 2 0 351.495 0.275 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085152461 842028578 /nfs/dbraw/zinc/02/85/78/842028578.db2.gz FWQIJVYPUNRLBY-BRWVUGGUSA-N 2 0 371.547 0.922 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085421992 842097601 /nfs/dbraw/zinc/09/76/01/842097601.db2.gz DKXWVVSQDQLUHH-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086369270 842128715 /nfs/dbraw/zinc/12/87/15/842128715.db2.gz YNFDYMRORRMBGA-XWJBARJFSA-N 2 0 353.507 0.599 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001086875561 842186849 /nfs/dbraw/zinc/18/68/49/842186849.db2.gz XIBXGVLOWSZVCA-RRFJBIMHSA-N 2 0 352.458 0.574 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087079267 842273625 /nfs/dbraw/zinc/27/36/25/842273625.db2.gz HIANYECEYIVIHO-CGTJXYLNSA-N 2 0 353.507 0.818 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083477 842276601 /nfs/dbraw/zinc/27/66/01/842276601.db2.gz HGJVITYJKDOKSZ-RBSFLKMASA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087084652 842277419 /nfs/dbraw/zinc/27/74/19/842277419.db2.gz MQKQOGCFVVNGHZ-QLFBSQMISA-N 2 0 352.483 0.108 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCN1CCCC1=O ZINC001087828770 842442787 /nfs/dbraw/zinc/44/27/87/842442787.db2.gz VDYXADOQLPSSSY-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994965 842494693 /nfs/dbraw/zinc/49/46/93/842494693.db2.gz MAMXVTWOYNBBPK-OAGGEKHMSA-N 2 0 350.507 0.728 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129621 842538516 /nfs/dbraw/zinc/53/85/16/842538516.db2.gz XIRVRFKWQFRAEI-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088817841 842687382 /nfs/dbraw/zinc/68/73/82/842687382.db2.gz KEZOKSKSEZMKFM-YVSFHVDLSA-N 2 0 350.507 0.918 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001092129776 843165004 /nfs/dbraw/zinc/16/50/04/843165004.db2.gz OUQOATCYEWUXPQ-APWZRJJASA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001092610560 843251670 /nfs/dbraw/zinc/25/16/70/843251670.db2.gz WZODSGYYOPUXBJ-OWCLPIDISA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721237 843286491 /nfs/dbraw/zinc/28/64/91/843286491.db2.gz ISNNMFSHIYZUEV-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734714 843287991 /nfs/dbraw/zinc/28/79/91/843287991.db2.gz FJJQEGNAEDECAG-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092772727 843296518 /nfs/dbraw/zinc/29/65/18/843296518.db2.gz BPAFVUKFRXGVOS-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306877 861403466 /nfs/dbraw/zinc/40/34/66/861403466.db2.gz GGHVYLNKSCTVDK-PKOBYXMFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001092907590 843338765 /nfs/dbraw/zinc/33/87/65/843338765.db2.gz RLLNCWXAWLVFHB-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934744 843347561 /nfs/dbraw/zinc/34/75/61/843347561.db2.gz HNUMLFHUNRXHSV-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937824 843348301 /nfs/dbraw/zinc/34/83/01/843348301.db2.gz XYNGNTOCNLMQOY-IIAWOOMASA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001093673782 843454737 /nfs/dbraw/zinc/45/47/37/843454737.db2.gz XYAYGLLZCKYDKH-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262269 843995603 /nfs/dbraw/zinc/99/56/03/843995603.db2.gz GEKMELTZIUXWBP-FRRDWIJNSA-N 2 0 364.412 0.714 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004899 844683446 /nfs/dbraw/zinc/68/34/46/844683446.db2.gz FBGFKGJHEGGUDH-WCXIOVBPSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083969 844697573 /nfs/dbraw/zinc/69/75/73/844697573.db2.gz RBYHFKUTWJZVHH-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087936 844698698 /nfs/dbraw/zinc/69/86/98/844698698.db2.gz QDIGDUZVCZMUGN-QGPMSJSTSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103088190 844698738 /nfs/dbraw/zinc/69/87/38/844698738.db2.gz XBDXJFINVVBQRH-SIIHOXLZSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103142765 844706665 /nfs/dbraw/zinc/70/66/65/844706665.db2.gz BHQORNDXKOCDED-BRWVUGGUSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438307 844758439 /nfs/dbraw/zinc/75/84/39/844758439.db2.gz AKZHNVDLHXXLCM-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001103444711 844760739 /nfs/dbraw/zinc/76/07/39/844760739.db2.gz GSVONLMNAOICLR-OIISXLGYSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570910 844782544 /nfs/dbraw/zinc/78/25/44/844782544.db2.gz LHXCLXQTPPSNKT-ZACQAIPSSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722695 844807174 /nfs/dbraw/zinc/80/71/74/844807174.db2.gz ZVUKSQBHXDFICO-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723478 844807219 /nfs/dbraw/zinc/80/72/19/844807219.db2.gz LRFAOSFYCUJCQT-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751620 844814912 /nfs/dbraw/zinc/81/49/12/844814912.db2.gz JGTVDPPYKQLLIM-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103755340 844816691 /nfs/dbraw/zinc/81/66/91/844816691.db2.gz CTEQHUCRFGXZEX-HZPDHXFCSA-N 2 0 353.511 0.426 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3COC(C)(C)O3)C2)C1=O ZINC001276617966 861501940 /nfs/dbraw/zinc/50/19/40/861501940.db2.gz NXRUBHWDKNOQIB-RDTXWAMCSA-N 2 0 353.463 0.541 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001103999607 844851311 /nfs/dbraw/zinc/85/13/11/844851311.db2.gz FDMKDRHHQUGEIU-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276636695 861510358 /nfs/dbraw/zinc/51/03/58/861510358.db2.gz RBWXKYWPWCPEKB-QZTJIDSGSA-N 2 0 352.523 0.726 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202665 844876795 /nfs/dbraw/zinc/87/67/95/844876795.db2.gz KKTOQAWNEMKVJK-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001104212577 844877371 /nfs/dbraw/zinc/87/73/71/844877371.db2.gz RRMIFKJBZDDDFK-QBPKDAKJSA-N 2 0 373.563 0.836 20 0 FCADRP CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630387 861507831 /nfs/dbraw/zinc/50/78/31/861507831.db2.gz RHMLXDVIIYWSBB-QZTJIDSGSA-N 2 0 352.523 0.726 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291832 844891470 /nfs/dbraw/zinc/89/14/70/844891470.db2.gz WSTKZYNFEWFINE-QGPMSJSTSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001104348626 844895848 /nfs/dbraw/zinc/89/58/48/844895848.db2.gz LNPOPCCDAAZQND-BZUAXINKSA-N 2 0 353.511 0.426 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1)[NH+](C)C ZINC001104348714 844897026 /nfs/dbraw/zinc/89/70/26/844897026.db2.gz QQAWZROZBPACFB-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104599199 844924062 /nfs/dbraw/zinc/92/40/62/844924062.db2.gz LBIMFYMETNAJFI-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001104623889 844927909 /nfs/dbraw/zinc/92/79/09/844927909.db2.gz JBGJDOJTPBLLLC-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP COCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001104782104 844941579 /nfs/dbraw/zinc/94/15/79/844941579.db2.gz LDRBREHUZIIQSS-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104914181 844959581 /nfs/dbraw/zinc/95/95/81/844959581.db2.gz YTDITKICWATQDC-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104914095 844959780 /nfs/dbraw/zinc/95/97/80/844959780.db2.gz UYWGROPRUWXZPH-HUUCEWRRSA-N 2 0 357.520 0.201 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001105010184 844968696 /nfs/dbraw/zinc/96/86/96/844968696.db2.gz BDQHGNKWMSSHBD-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001105014291 844968877 /nfs/dbraw/zinc/96/88/77/844968877.db2.gz KYTQTLADMLMXHA-IXDOHACOSA-N 2 0 371.547 0.591 20 0 FCADRP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658476 845010331 /nfs/dbraw/zinc/01/03/31/845010331.db2.gz HFLMAKLWSRFPLY-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105668058 845014912 /nfs/dbraw/zinc/01/49/12/845014912.db2.gz WATKUGZHYUQQTB-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105669914 845015826 /nfs/dbraw/zinc/01/58/26/845015826.db2.gz WMLFBHLWWJJSCH-RWQQGDIJSA-N 2 0 355.523 0.677 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105669055 845015874 /nfs/dbraw/zinc/01/58/74/845015874.db2.gz PBTJNKCYGGAGRU-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676300 845017789 /nfs/dbraw/zinc/01/77/89/845017789.db2.gz VLVZYCJZNVJIDF-ZAWLATJESA-N 2 0 355.523 0.675 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106111977 845102522 /nfs/dbraw/zinc/10/25/22/845102522.db2.gz UNSLGNHVGQOHQO-BZUAXINKSA-N 2 0 359.536 0.588 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC001276678090 861531928 /nfs/dbraw/zinc/53/19/28/861531928.db2.gz KATDDVMJANADEW-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142884 845113204 /nfs/dbraw/zinc/11/32/04/845113204.db2.gz BMXUPKSQQPDHSP-NXHRZFHOSA-N 2 0 353.507 0.675 20 0 FCADRP COCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106146346 845114114 /nfs/dbraw/zinc/11/41/14/845114114.db2.gz XUPAZINQSNTPCE-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106198563 845129656 /nfs/dbraw/zinc/12/96/56/845129656.db2.gz FRVJBXHOXZZPJO-IIAWOOMASA-N 2 0 356.486 0.629 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106198889 845129739 /nfs/dbraw/zinc/12/97/39/845129739.db2.gz RMVLYEXDAOAPQL-OAGGEKHMSA-N 2 0 356.486 0.583 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](CC(=O)N1CCCC1)CC2 ZINC001276679008 861534599 /nfs/dbraw/zinc/53/45/99/861534599.db2.gz RZQFAEFYXWSNNA-UHFFFAOYSA-N 2 0 350.507 0.875 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106211021 845135172 /nfs/dbraw/zinc/13/51/72/845135172.db2.gz NHSAXGDIOIPJSC-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106245536 845141867 /nfs/dbraw/zinc/14/18/67/845141867.db2.gz DEXFPSLAEICELH-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106248536 845142998 /nfs/dbraw/zinc/14/29/98/845142998.db2.gz SMHKFOYHAFMJTG-BRWVUGGUSA-N 2 0 352.523 0.737 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249464 845143130 /nfs/dbraw/zinc/14/31/30/845143130.db2.gz IJYOLCRZBGSBQU-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106248568 845143202 /nfs/dbraw/zinc/14/32/02/845143202.db2.gz SWHNGJVERINQKP-RBSFLKMASA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249444 845143321 /nfs/dbraw/zinc/14/33/21/845143321.db2.gz HYVKAUDICAHXAY-KYJSFNMBSA-N 2 0 352.523 0.783 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1)[NH+](C)C ZINC001106313043 845152689 /nfs/dbraw/zinc/15/26/89/845152689.db2.gz UBEORUINBPBJRP-KBRIMQKVSA-N 2 0 350.511 0.919 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309657 845152911 /nfs/dbraw/zinc/15/29/11/845152911.db2.gz CSLAZPCVYTVUPC-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309654 845153146 /nfs/dbraw/zinc/15/31/46/845153146.db2.gz CSLAZPCVYTVUPC-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321544 845154143 /nfs/dbraw/zinc/15/41/43/845154143.db2.gz APDGYCGRJQQKDS-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106472326 845178573 /nfs/dbraw/zinc/17/85/73/845178573.db2.gz ULKCKOGOWJHNFE-KYJSFNMBSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106472424 845178814 /nfs/dbraw/zinc/17/88/14/845178814.db2.gz YULMGIQPAIGMEA-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106477714 845181119 /nfs/dbraw/zinc/18/11/19/845181119.db2.gz OSENBXCQDKVWEZ-NXHRZFHOSA-N 2 0 353.507 0.554 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106570851 845196849 /nfs/dbraw/zinc/19/68/49/845196849.db2.gz BOZPVNYPRXFCIE-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591652 845201798 /nfs/dbraw/zinc/20/17/98/845201798.db2.gz IRXSJXBDXJEPMZ-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106621293 845207047 /nfs/dbraw/zinc/20/70/47/845207047.db2.gz CIXLASZBQKZLHD-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001106622866 845207265 /nfs/dbraw/zinc/20/72/65/845207265.db2.gz UPBNYFWHOZUMCL-CHWSQXEVSA-N 2 0 358.437 0.679 20 0 FCADRP COCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001106626763 845208698 /nfs/dbraw/zinc/20/86/98/845208698.db2.gz KUAKAPHRZHHVCL-HZSPNIEDSA-N 2 0 353.467 0.913 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@H]2C)n1C ZINC001106779440 845250318 /nfs/dbraw/zinc/25/03/18/845250318.db2.gz OLNPYSJSAFLYBO-HUUCEWRRSA-N 2 0 350.511 0.903 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001106779361 845250629 /nfs/dbraw/zinc/25/06/29/845250629.db2.gz LCDUTWGXGGTONE-HUUCEWRRSA-N 2 0 351.499 0.780 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106784045 845251904 /nfs/dbraw/zinc/25/19/04/845251904.db2.gz AKXFNNLWNMPHGP-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840313 845265833 /nfs/dbraw/zinc/26/58/33/845265833.db2.gz HKNXQRSFZIVADC-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)s1 ZINC001106878538 845277127 /nfs/dbraw/zinc/27/71/27/845277127.db2.gz QMIGLOBBWAAGPQ-TZMCWYRMSA-N 2 0 355.508 0.609 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001106878599 845277209 /nfs/dbraw/zinc/27/72/09/845277209.db2.gz UAJSJDCZCYOTQS-GDBMZVCRSA-N 2 0 352.454 0.983 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001106881216 845278647 /nfs/dbraw/zinc/27/86/47/845278647.db2.gz ZFRYKVTVBATVEV-ZIAGYGMSSA-N 2 0 371.913 0.836 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106910504 845284091 /nfs/dbraw/zinc/28/40/91/845284091.db2.gz ATVKKYFCQZHIRR-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106907757 845284163 /nfs/dbraw/zinc/28/41/63/845284163.db2.gz BHLGHIRWWQRWIG-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106980766 845298927 /nfs/dbraw/zinc/29/89/27/845298927.db2.gz ARUCLFVMZWOXDR-JHJVBQTASA-N 2 0 366.491 0.112 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106983895 845301145 /nfs/dbraw/zinc/30/11/45/845301145.db2.gz OPCRKDSLMORKID-KURKYZTESA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106984126 845301289 /nfs/dbraw/zinc/30/12/89/845301289.db2.gz ZFFFUSORMDZPGO-KURKYZTESA-N 2 0 353.507 0.962 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040991 845316802 /nfs/dbraw/zinc/31/68/02/845316802.db2.gz WJTLJGOQTYFUDG-HZPDHXFCSA-N 2 0 356.511 0.163 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1 ZINC001107040645 845317062 /nfs/dbraw/zinc/31/70/62/845317062.db2.gz KTNCNUDOSJUBEL-RHSMWYFYSA-N 2 0 350.511 0.919 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001107042461 845318125 /nfs/dbraw/zinc/31/81/25/845318125.db2.gz NMMMHYCJBSRNSG-ARFHVFGLSA-N 2 0 361.552 0.691 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001107042476 845318342 /nfs/dbraw/zinc/31/83/42/845318342.db2.gz NVJKEZJTSDKOKH-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@@H](C(=O)OC)[N@@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727744 861557752 /nfs/dbraw/zinc/55/77/52/861557752.db2.gz SJUJMTOTSHOZAK-WMLDXEAASA-N 2 0 350.419 0.033 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCS(C)(=O)=O)CC2 ZINC001107329063 845352972 /nfs/dbraw/zinc/35/29/72/845352972.db2.gz GVFGYEHWDSSKMW-LZLYRXPVSA-N 2 0 371.547 0.876 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438881 845373947 /nfs/dbraw/zinc/37/39/47/845373947.db2.gz MAIHAFWQBKBBKM-ZHALLVOQSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001107530603 845391905 /nfs/dbraw/zinc/39/19/05/845391905.db2.gz BPKKZURWGNSVOI-LZLYRXPVSA-N 2 0 371.547 0.734 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530151 845392316 /nfs/dbraw/zinc/39/23/16/845392316.db2.gz JCTIILISRMYFPO-YQVWRLOYSA-N 2 0 353.507 0.696 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107585579 845402872 /nfs/dbraw/zinc/40/28/72/845402872.db2.gz HMJOPLMHWKABFF-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N1CCC1)CC2 ZINC001107646802 845415319 /nfs/dbraw/zinc/41/53/19/845415319.db2.gz WXIOPHZKBXJSMW-VQIMIIECSA-N 2 0 350.507 0.920 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961195 846002451 /nfs/dbraw/zinc/00/24/51/846002451.db2.gz VTALXPKQWQWTBX-VQHPVUNQSA-N 2 0 357.495 0.074 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415352 846103431 /nfs/dbraw/zinc/10/34/31/846103431.db2.gz QFNMEZBJFCMGQL-TVFCKZIOSA-N 2 0 353.507 0.981 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111860197 846232658 /nfs/dbraw/zinc/23/26/58/846232658.db2.gz UWSWIXXGDQDYMA-LPHOPBHVSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001111864313 846235656 /nfs/dbraw/zinc/23/56/56/846235656.db2.gz KDKBWWVJEJVKMS-BXWFABGCSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2)[NH+](C)C ZINC001111875120 846241497 /nfs/dbraw/zinc/24/14/97/846241497.db2.gz SENYXCWEFIWPIP-MPGHIAIKSA-N 2 0 351.495 0.323 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCC1)C2 ZINC001111948957 846271010 /nfs/dbraw/zinc/27/10/10/846271010.db2.gz FYEYBDDIXBMLDT-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCN(CC)C1=O)C2 ZINC001111952594 846274749 /nfs/dbraw/zinc/27/47/49/846274749.db2.gz QAJMLPRBDIYICN-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)C(=O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276868264 861658735 /nfs/dbraw/zinc/65/87/35/861658735.db2.gz IAQZMFJVMFRXOE-GOSISDBHSA-N 2 0 353.463 0.385 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001112114130 846393974 /nfs/dbraw/zinc/39/39/74/846393974.db2.gz ARBBEXWAJIDQIR-MCIONIFRSA-N 2 0 367.412 0.314 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112123684 846401703 /nfs/dbraw/zinc/40/17/03/846401703.db2.gz VZMLSCATJOICEB-IJLUTSLNSA-N 2 0 366.428 0.960 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112154637 846422321 /nfs/dbraw/zinc/42/23/21/846422321.db2.gz VPFXPYKRBLWGDE-IJLUTSLNSA-N 2 0 364.412 0.571 20 0 FCADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160172 846425713 /nfs/dbraw/zinc/42/57/13/846425713.db2.gz WGNTYGILDNGVSP-ZIAGYGMSSA-N 2 0 361.412 0.893 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001112166996 846430446 /nfs/dbraw/zinc/43/04/46/846430446.db2.gz CGAHMZMXMQGVHH-LPWJVIDDSA-N 2 0 355.401 0.313 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112182067 846441920 /nfs/dbraw/zinc/44/19/20/846441920.db2.gz MRCQUQWPZFZMDG-IJLUTSLNSA-N 2 0 352.401 0.571 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1 ZINC001112182065 846442030 /nfs/dbraw/zinc/44/20/30/846442030.db2.gz MRACDJBALPSPTK-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396972 846500769 /nfs/dbraw/zinc/50/07/69/846500769.db2.gz MTLTXOKAJIXZAI-YJBOKZPZSA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396930 846500907 /nfs/dbraw/zinc/50/09/07/846500907.db2.gz KUDBIBQTYLETIR-BQFCYCMXSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CC1 ZINC001112399141 846501054 /nfs/dbraw/zinc/50/10/54/846501054.db2.gz FDEMBYNTWWKITH-LNLFQRSKSA-N 2 0 353.507 0.554 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522396 846514101 /nfs/dbraw/zinc/51/41/01/846514101.db2.gz VVMSMUGVXFEEDE-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2)C(N)=O ZINC001112551861 846521316 /nfs/dbraw/zinc/52/13/16/846521316.db2.gz UCJGGOZMVHALHS-BXWFABGCSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001112552927 846522664 /nfs/dbraw/zinc/52/26/64/846522664.db2.gz WFZKWBQXLKPEIU-BXWFABGCSA-N 2 0 353.507 0.696 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112557396 846523740 /nfs/dbraw/zinc/52/37/40/846523740.db2.gz DRSSEZWHJJDYDR-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563128 846525197 /nfs/dbraw/zinc/52/51/97/846525197.db2.gz GVWPUSSJWMOSIG-BXWFABGCSA-N 2 0 350.507 0.683 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112567293 846526065 /nfs/dbraw/zinc/52/60/65/846526065.db2.gz HKKGPQMZAXGENQ-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578522 846528979 /nfs/dbraw/zinc/52/89/79/846528979.db2.gz SLRJADOQSYMVHC-GJYPPUQNSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2)C(N)=O ZINC001112585195 846532345 /nfs/dbraw/zinc/53/23/45/846532345.db2.gz GMAFPFFJOPIWEF-GJYPPUQNSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCS(C)(=O)=O)CCCCC2)CC[N@@H+]1C ZINC001115543568 846561350 /nfs/dbraw/zinc/56/13/50/846561350.db2.gz PUVTZJPMKUVCGE-HUUCEWRRSA-N 2 0 359.536 0.780 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC2=O)COCC[N@@H+](C2CC2)C3)CC1 ZINC001276937696 861696644 /nfs/dbraw/zinc/69/66/44/861696644.db2.gz FXUBIYCWWMSUTG-LJQANCHMSA-N 2 0 350.507 0.337 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](C)O)CC2 ZINC001276958752 861703098 /nfs/dbraw/zinc/70/30/98/861703098.db2.gz AHSJLUIFGLIEMS-LSDHHAIUSA-N 2 0 355.479 0.033 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001117121906 846898830 /nfs/dbraw/zinc/89/88/30/846898830.db2.gz FNRADXBEGDAOKX-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001118147573 847295799 /nfs/dbraw/zinc/29/57/99/847295799.db2.gz HQZMIZBONUTTOW-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCC1 ZINC001118330792 847385698 /nfs/dbraw/zinc/38/56/98/847385698.db2.gz ZNTKANXVBFCTFF-KXBFYZLASA-N 2 0 350.507 0.812 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304972 847807025 /nfs/dbraw/zinc/80/70/25/847807025.db2.gz XPKMJTHOWRPLJC-QWHCGFSZSA-N 2 0 364.412 0.669 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001119426878 847840545 /nfs/dbraw/zinc/84/05/45/847840545.db2.gz AKPFXBYPZMNICP-CALCHBBNSA-N 2 0 350.507 0.955 20 0 FCADRP O=C(C[NH2+]C[C@@H](O)COC1CCOCC1)NCC[NH+]1CCCCCC1 ZINC001120591195 848249784 /nfs/dbraw/zinc/24/97/84/848249784.db2.gz VAGQSIBHVQIBTQ-MRXNPFEDSA-N 2 0 357.495 0.125 20 0 FCADRP CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001121133630 848322042 /nfs/dbraw/zinc/32/20/42/848322042.db2.gz FXFWBQQOGQAMAC-FJGTUQKNSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001121928024 848420058 /nfs/dbraw/zinc/42/00/58/848420058.db2.gz MAIVPTVUGUORRK-KZNAEPCWSA-N 2 0 352.523 0.677 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564649 848606890 /nfs/dbraw/zinc/60/68/90/848606890.db2.gz ORQVESCJPNOKBL-DLBZAZTESA-N 2 0 350.507 0.526 20 0 FCADRP O=C(NCCN1CCC2(C1)OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001123714891 848628738 /nfs/dbraw/zinc/62/87/38/848628738.db2.gz TVQUPLAOLIGQMH-INIZCTEOSA-N 2 0 352.479 0.705 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCN1C ZINC001123794853 848639495 /nfs/dbraw/zinc/63/94/95/848639495.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 0 351.539 0.994 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638546 848730017 /nfs/dbraw/zinc/73/00/17/848730017.db2.gz LTBZRIATKQRQBQ-YNEHKIRRSA-N 2 0 355.483 0.045 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001127701848 848732446 /nfs/dbraw/zinc/73/24/46/848732446.db2.gz YWINSLVAPLUCQG-NWDGAFQWSA-N 2 0 352.401 0.491 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054963 848801255 /nfs/dbraw/zinc/80/12/55/848801255.db2.gz SEXJHLGFDAPSQY-XHSDSOJGSA-N 2 0 352.458 0.854 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219885 848819248 /nfs/dbraw/zinc/81/92/48/848819248.db2.gz MEKQGVWHHVWYFW-KFWWJZLASA-N 2 0 352.458 0.710 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337295 848832264 /nfs/dbraw/zinc/83/22/64/848832264.db2.gz AFSVXCQMGNBLGW-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370478 848835514 /nfs/dbraw/zinc/83/55/14/848835514.db2.gz XAQDPWRTJBTRNZ-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407560 848840983 /nfs/dbraw/zinc/84/09/83/848840983.db2.gz QDEHOUGWQYQALP-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129849979 848902028 /nfs/dbraw/zinc/90/20/28/848902028.db2.gz GZJNMHWGSOAAMB-KALZGNQQSA-N 2 0 364.881 0.714 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894935 848909510 /nfs/dbraw/zinc/90/95/10/848909510.db2.gz YZDXUXOCBSXNBC-KFWWJZLASA-N 2 0 350.467 0.139 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910423 848914199 /nfs/dbraw/zinc/91/41/99/848914199.db2.gz SGBAMOPJCMBZII-UPJWGTAASA-N 2 0 362.400 0.912 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129918554 848916396 /nfs/dbraw/zinc/91/63/96/848916396.db2.gz DGXDYCUKALLILI-KFWWJZLASA-N 2 0 352.483 0.385 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984946 848927109 /nfs/dbraw/zinc/92/71/09/848927109.db2.gz KNZSOMKLCXJACD-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)CC1 ZINC001129983200 848927131 /nfs/dbraw/zinc/92/71/31/848927131.db2.gz RCBHZBFQGBZAFY-IVDJAJHCSA-N 2 0 352.870 0.714 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001129994605 848927798 /nfs/dbraw/zinc/92/77/98/848927798.db2.gz XEHTXSLIOZLADG-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129991953 848928010 /nfs/dbraw/zinc/92/80/10/848928010.db2.gz DWCCNZKVFDJRKB-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107002 848945772 /nfs/dbraw/zinc/94/57/72/848945772.db2.gz CUNQLJNNVDIRRY-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125316 848948288 /nfs/dbraw/zinc/94/82/88/848948288.db2.gz HBPIELSBNODAQG-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137074 848949952 /nfs/dbraw/zinc/94/99/52/848949952.db2.gz HWNPFSGANSFSGC-CVEARBPZSA-N 2 0 352.483 0.385 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137041 848950562 /nfs/dbraw/zinc/95/05/62/848950562.db2.gz GKZMNWZTIMTRKD-CVEARBPZSA-N 2 0 350.467 0.142 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)[NH+](C)C ZINC001130301824 848998179 /nfs/dbraw/zinc/99/81/79/848998179.db2.gz GWWNRIICUZMVLK-VYDXJSESSA-N 2 0 356.486 0.772 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130305197 848999035 /nfs/dbraw/zinc/99/90/35/848999035.db2.gz NDJMENWDXXYEHH-QAPCUYQASA-N 2 0 356.486 0.773 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670082 849025499 /nfs/dbraw/zinc/02/54/99/849025499.db2.gz QILFBKFDESUAKO-HLLBOEOZSA-N 2 0 351.495 0.417 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001131003472 849069743 /nfs/dbraw/zinc/06/97/43/849069743.db2.gz GGDQCUFKVFRYJZ-QLFBSQMISA-N 2 0 357.449 0.954 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068341 849077170 /nfs/dbraw/zinc/07/71/70/849077170.db2.gz ZOZHQLMGKNZIBT-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131110718 849080714 /nfs/dbraw/zinc/08/07/14/849080714.db2.gz WGANJNRFVSPPMX-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316700 849095023 /nfs/dbraw/zinc/09/50/23/849095023.db2.gz SGOFBYQNFGQBJX-OAGGEKHMSA-N 2 0 352.479 0.844 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321105 849096639 /nfs/dbraw/zinc/09/66/39/849096639.db2.gz MTECTUTYZDYVGU-OAGGEKHMSA-N 2 0 352.479 0.843 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001142629639 849456716 /nfs/dbraw/zinc/45/67/16/849456716.db2.gz UGCWHYQOWORSMW-KZNAEPCWSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)CCCO2)CC[N@@H+]1C ZINC001149733807 849645337 /nfs/dbraw/zinc/64/53/37/849645337.db2.gz NMTJENJGBRTYEQ-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnn2cc(Br)cnc12 ZINC001151129912 849678468 /nfs/dbraw/zinc/67/84/68/849678468.db2.gz CZNUINFRQNGQKB-UHFFFAOYSA-N 2 0 354.212 0.566 20 0 FCADRP CCOC(=O)[C@]12CN(c3[nH+][nH]c(Cl)c4ncnc3-4)C[C@H]1C[NH2+]CC2 ZINC001154688030 849807217 /nfs/dbraw/zinc/80/72/17/849807217.db2.gz VMCXBALSRQRNRT-RFAUZJTJSA-N 2 0 350.810 0.985 20 0 FCADRP CCOC(=O)[C@]12CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001154681122 849807486 /nfs/dbraw/zinc/80/74/86/849807486.db2.gz QBGBKQBUHUSCJI-PIGZYNQJSA-N 2 0 365.865 0.755 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001154692775 849808223 /nfs/dbraw/zinc/80/82/23/849808223.db2.gz DBSVSFHYXKSSOR-SQNIBIBYSA-N 2 0 353.507 0.962 20 0 FCADRP CCCCOC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277777722 862071602 /nfs/dbraw/zinc/07/16/02/862071602.db2.gz GYKKBIOZPHBSLW-IRXDYDNUSA-N 2 0 355.523 0.944 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])C1CCC(O)CC1)C(=O)N1CCCC1 ZINC001157378489 849968684 /nfs/dbraw/zinc/96/86/84/849968684.db2.gz AZJCAQMWEHKIKB-CKUJCDMFSA-N 2 0 354.495 0.101 20 0 FCADRP CC1([NH3+])CN(C(=O)[C@H](c2cccc(Br)c2)N2CC[NH2+]CC2)C1 ZINC001157652125 849986617 /nfs/dbraw/zinc/98/66/17/849986617.db2.gz WFLXAPNFHPWWFJ-AWEZNQCLSA-N 2 0 367.291 0.955 20 0 FCADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC(C)([NH3+])C1 ZINC001157650459 849986905 /nfs/dbraw/zinc/98/69/05/849986905.db2.gz ABQOFKLFJBCFQZ-GJZGRUSLSA-N 2 0 364.515 0.354 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716153 849987498 /nfs/dbraw/zinc/98/74/98/849987498.db2.gz LKRHKEMBHCBBKU-JKSUJKDBSA-N 2 0 352.504 0.531 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241054 850027276 /nfs/dbraw/zinc/02/72/76/850027276.db2.gz QJGIIQXRBAKSQN-WDEREUQCSA-N 2 0 351.369 0.942 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241026 850027298 /nfs/dbraw/zinc/02/72/98/850027298.db2.gz QBFXVPLBSPRFOI-STQMWFEESA-N 2 0 359.396 0.965 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158247824 850028454 /nfs/dbraw/zinc/02/84/54/850028454.db2.gz BSDISLAQVZJUBU-NWDGAFQWSA-N 2 0 362.396 0.530 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]C[C@H]2CCOC2)CC1 ZINC001158283023 850034094 /nfs/dbraw/zinc/03/40/94/850034094.db2.gz ZHKHPMAILHRMSJ-NXHRZFHOSA-N 2 0 353.507 0.866 20 0 FCADRP CS(=O)(=O)c1c[n-]c2nc[nH+]c(NCc3[nH+]cn4c3C[NH2+]CCC4)c12 ZINC001158355855 850039404 /nfs/dbraw/zinc/03/94/04/850039404.db2.gz FJOHFVTXSVIDLR-UHFFFAOYSA-N 2 0 361.431 0.615 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC(F)F)C2 ZINC001158379931 850041642 /nfs/dbraw/zinc/04/16/42/850041642.db2.gz GNHRMDITLAQXRW-CKLFPEKLSA-N 2 0 373.322 0.513 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC001158380193 850042142 /nfs/dbraw/zinc/04/21/42/850042142.db2.gz DLYZXFLTMQKKJK-ZNLHFFCSSA-N 2 0 361.364 0.280 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1CC(C[NH3+])C1)C2 ZINC001158384348 850044633 /nfs/dbraw/zinc/04/46/33/850044633.db2.gz VKCPSZYASDKQPL-FWFPMQDGSA-N 2 0 363.380 0.515 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@]1(C)CC[NH2+]C1)C2 ZINC001158384475 850044995 /nfs/dbraw/zinc/04/49/95/850044995.db2.gz WNXASAMIYPMTQO-KFWWJZLASA-N 2 0 363.380 0.530 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001158403917 850047630 /nfs/dbraw/zinc/04/76/30/850047630.db2.gz MZCPVFHPUZBPTE-UONOGXRCSA-N 2 0 350.467 0.135 20 0 FCADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001158415992 850048978 /nfs/dbraw/zinc/04/89/78/850048978.db2.gz RAKNIQRMXIGUAA-HDMKZQKVSA-N 2 0 355.479 0.616 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001158428707 850049415 /nfs/dbraw/zinc/04/94/15/850049415.db2.gz PPHNQEYGCFTRCU-DAXOMENPSA-N 2 0 350.438 0.788 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C[C@H]2CF)CC1 ZINC001158579416 850061332 /nfs/dbraw/zinc/06/13/32/850061332.db2.gz SKXKXWBDENSBOV-VXGBXAGGSA-N 2 0 353.467 0.702 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]2CF)CC1 ZINC001158578199 850061640 /nfs/dbraw/zinc/06/16/40/850061640.db2.gz KUHIXMDSIASUGB-XGUBFFRZSA-N 2 0 352.454 0.265 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001158697994 850068135 /nfs/dbraw/zinc/06/81/35/850068135.db2.gz JQRNBUNENSDKEX-HWRSSNJWSA-N 2 0 369.535 0.506 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158855038 850081214 /nfs/dbraw/zinc/08/12/14/850081214.db2.gz AWBOLKZAFKQCFP-AWEZNQCLSA-N 3 0 350.511 0.981 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159035574 850092936 /nfs/dbraw/zinc/09/29/36/850092936.db2.gz BOMDQDQPEHPKQY-UHFFFAOYSA-N 2 0 350.463 0.411 20 0 FCADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@H]21 ZINC001159109070 850097416 /nfs/dbraw/zinc/09/74/16/850097416.db2.gz LYAGVDCUEDJGQI-FXUDXRNXSA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160870 850098828 /nfs/dbraw/zinc/09/88/28/850098828.db2.gz UIDIAGCQVSFRFP-CVEARBPZSA-N 3 0 352.523 0.852 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc(N3CCC([NH3+])CC3)n2)O1 ZINC001159243601 850104382 /nfs/dbraw/zinc/10/43/82/850104382.db2.gz QKINSZINJYCBJM-FMKPAKJESA-N 2 0 350.467 0.541 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001159481775 850117393 /nfs/dbraw/zinc/11/73/93/850117393.db2.gz VTCSPTSSGSVJDN-ZIFCJYIRSA-N 2 0 351.491 0.572 20 0 FCADRP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)[C@@H]([NH3+])CSCC[NH3+])O2)n1 ZINC001159519678 850120523 /nfs/dbraw/zinc/12/05/23/850120523.db2.gz MDAKCTCCJUWQOF-LOWDOPEQSA-N 2 0 355.464 0.218 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCC(C[NH3+])CC3)CC[C@@H]2C1 ZINC001159635139 850125617 /nfs/dbraw/zinc/12/56/17/850125617.db2.gz IBFDLPMLYBLZDI-OPQOLIRYSA-N 2 0 353.507 0.947 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159907513 850144096 /nfs/dbraw/zinc/14/40/96/850144096.db2.gz FNKMLPHHTUKWBY-JJRVBVJISA-N 2 0 368.503 0.604 20 0 FCADRP CC(=O)NCc1ncn2c1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCC2 ZINC001160335089 850167631 /nfs/dbraw/zinc/16/76/31/850167631.db2.gz JFDPYQZDEHGMBJ-AWEZNQCLSA-N 2 0 350.467 0.098 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160483146 850174721 /nfs/dbraw/zinc/17/47/21/850174721.db2.gz OXWWYXKTGGTBOD-INIZCTEOSA-N 2 0 371.547 0.734 20 0 FCADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490958 850176748 /nfs/dbraw/zinc/17/67/48/850176748.db2.gz NOCFBNFKNNOSSG-LPHOPBHVSA-N 2 0 351.491 0.858 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506306 850178479 /nfs/dbraw/zinc/17/84/79/850178479.db2.gz LVUYPBGNKABFHE-HOTGVXAUSA-N 2 0 354.495 0.286 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001160548771 850180297 /nfs/dbraw/zinc/18/02/97/850180297.db2.gz LDMCCTXZEUKYEC-LBPRGKRZSA-N 2 0 350.385 0.107 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160552119 850180578 /nfs/dbraw/zinc/18/05/78/850180578.db2.gz JHMOUKDFPKMYGB-VIFPVBQESA-N 2 0 367.397 0.814 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648367 850187436 /nfs/dbraw/zinc/18/74/36/850187436.db2.gz BLDAJUSNJSPCBI-HPCHECBXSA-N 2 0 362.515 0.495 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]2C1 ZINC001160704380 850194032 /nfs/dbraw/zinc/19/40/32/850194032.db2.gz JWQNNCDXFPEMJL-TUAOUCFPSA-N 2 0 350.385 0.183 20 0 FCADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160746472 850196233 /nfs/dbraw/zinc/19/62/33/850196233.db2.gz JTIOJYSSARZIOO-GJZGRUSLSA-N 2 0 352.479 0.004 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742933 850196301 /nfs/dbraw/zinc/19/63/01/850196301.db2.gz SNLVFPWSLKBSRR-INIZCTEOSA-N 2 0 354.495 0.332 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001160797917 850199392 /nfs/dbraw/zinc/19/93/92/850199392.db2.gz WYBTUZDNWNQCIH-OHHDELOUSA-N 2 0 357.401 0.088 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])Cc3ccsc3)C[C@H]1C[NH2+]CC2 ZINC001160806519 850199668 /nfs/dbraw/zinc/19/96/68/850199668.db2.gz UKWWXZFSWYWNGR-JKIFEVAISA-N 2 0 351.472 0.619 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC(F)(F)C1 ZINC001160971108 850217148 /nfs/dbraw/zinc/21/71/48/850217148.db2.gz FHTXBJMTDKPWEZ-JKIFEVAISA-N 2 0 350.413 0.907 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)Cc1ccc(F)c(F)c1 ZINC001160999589 850220090 /nfs/dbraw/zinc/22/00/90/850220090.db2.gz HYINBELYOBLYIY-XJKSGUPXSA-N 2 0 353.413 0.940 20 0 FCADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008683 850220948 /nfs/dbraw/zinc/22/09/48/850220948.db2.gz QTMHNFJSFDARAO-CQSZACIVSA-N 2 0 350.488 0.939 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)C2)CC1 ZINC001161377051 850255514 /nfs/dbraw/zinc/25/55/14/850255514.db2.gz DYQUBFAEVMTAGZ-OAHLLOKOSA-N 2 0 352.479 0.025 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381618 850255835 /nfs/dbraw/zinc/25/58/35/850255835.db2.gz YNEAMHFODARSHV-KVSKMBFKSA-N 2 0 350.507 0.559 20 0 FCADRP C[NH+](C)CCN(C(=O)C1([NH3+])CCC2(CC1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC001161444500 850259793 /nfs/dbraw/zinc/25/97/93/850259793.db2.gz IUGJLGVIJPXRCK-OAHLLOKOSA-N 3 0 354.495 0.143 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520409 850266836 /nfs/dbraw/zinc/26/68/36/850266836.db2.gz NAQOWQDHNAIFGW-VXGBXAGGSA-N 2 0 354.252 0.228 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161531450 850268673 /nfs/dbraw/zinc/26/86/73/850268673.db2.gz DSEPBVJLUMHUSK-IHRRRGAJSA-N 2 0 356.536 0.372 20 0 FCADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001161601286 850274500 /nfs/dbraw/zinc/27/45/00/850274500.db2.gz BRIDQGOPCOIYDU-ZDUSSCGKSA-N 2 0 351.451 0.498 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncnc(C2C[NH2+]C2)c1OC ZINC001162728792 850328307 /nfs/dbraw/zinc/32/83/07/850328307.db2.gz IBGSZNGUSIZZNU-ZDUSSCGKSA-N 2 0 351.451 0.715 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC2(C[C@@H]2C(=O)NCCCOC)CC1 ZINC001277833072 862120941 /nfs/dbraw/zinc/12/09/41/862120941.db2.gz BBARZAJCZSNKSO-DLBZAZTESA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001277833349 862121490 /nfs/dbraw/zinc/12/14/90/862121490.db2.gz CIQVJSKYAKVDFN-KRWDZBQOSA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582411 850417607 /nfs/dbraw/zinc/41/76/07/850417607.db2.gz KWMDVKJDYIMQTO-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP CN(C1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1)S(C)(=O)=O ZINC001166921885 850512364 /nfs/dbraw/zinc/51/23/64/850512364.db2.gz NOGBIXYWHSPSNY-UHFFFAOYSA-N 2 0 367.519 0.869 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2C1 ZINC001169140599 850608208 /nfs/dbraw/zinc/60/82/08/850608208.db2.gz SRYFIMHIDZIUGN-BPKGMFCQSA-N 2 0 356.536 0.672 20 0 FCADRP [NH3+]CCN(c1cnc(C[NH3+])nc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170075265 850644759 /nfs/dbraw/zinc/64/47/59/850644759.db2.gz XGWWORYNSRJVOG-UHFFFAOYSA-N 2 0 358.427 0.638 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001170871696 850668580 /nfs/dbraw/zinc/66/85/80/850668580.db2.gz QXOBSTDDGMVNQH-MELADBBJSA-N 2 0 355.483 0.176 20 0 FCADRP CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@H]21 ZINC001171638620 850689886 /nfs/dbraw/zinc/68/98/86/850689886.db2.gz XKKDPZXVDFXDOO-CVEARBPZSA-N 2 0 352.523 0.769 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])C[C@@H]1C(=O)OC ZINC001173572374 850727637 /nfs/dbraw/zinc/72/76/37/850727637.db2.gz DVWDCVJHMVDMDK-RHBIUNOYSA-N 2 0 358.435 0.042 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730983 850921714 /nfs/dbraw/zinc/92/17/14/850921714.db2.gz IPMFNDKEYYXJRH-QXSJWSMHSA-N 2 0 353.511 0.613 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178750045 850925612 /nfs/dbraw/zinc/92/56/12/850925612.db2.gz SHLGOJJMIIVGRQ-VXGBXAGGSA-N 2 0 357.455 0.065 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCC(=O)N1CCOCC1 ZINC001180492802 851040233 /nfs/dbraw/zinc/04/02/33/851040233.db2.gz FYGBDHJWMASZJE-UHFFFAOYSA-N 2 0 356.511 0.357 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976419 851142874 /nfs/dbraw/zinc/14/28/74/851142874.db2.gz FZWJAGWGAGAPLD-KZNAEPCWSA-N 2 0 353.507 0.912 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1(C)CC[NH+](C)CC1)CC2 ZINC001181987787 851145067 /nfs/dbraw/zinc/14/50/67/851145067.db2.gz XMDBUQHSOWVDSQ-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001182701626 851194380 /nfs/dbraw/zinc/19/43/80/851194380.db2.gz YRKHTHSVGNKODI-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCn1cc(Br)ccc1=O ZINC001183246083 851237255 /nfs/dbraw/zinc/23/72/55/851237255.db2.gz ZXOLGOOMZHJPJZ-UHFFFAOYSA-N 2 0 358.240 0.462 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254245 851347005 /nfs/dbraw/zinc/34/70/05/851347005.db2.gz ZQUOJUUWLJDREZ-JYJNAYRXSA-N 2 0 363.531 0.812 20 0 FCADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186372900 851428703 /nfs/dbraw/zinc/42/87/03/851428703.db2.gz FYLYUVAZUVXILQ-IXDOHACOSA-N 2 0 353.507 0.818 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944917 851630478 /nfs/dbraw/zinc/63/04/78/851630478.db2.gz OXAMIKUIVNJSQH-RCCFBDPRSA-N 2 0 351.491 0.524 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001188979796 851739285 /nfs/dbraw/zinc/73/92/85/851739285.db2.gz TYKKIFHFIUQNTI-YESZJQIVSA-N 2 0 371.547 0.686 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985833 851740095 /nfs/dbraw/zinc/74/00/95/851740095.db2.gz UJUMWTBPMCUJFO-JKSUJKDBSA-N 2 0 353.511 0.569 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1 ZINC001189810585 851826952 /nfs/dbraw/zinc/82/69/52/851826952.db2.gz BUYKJDXPRGRXKT-JYSRZZCRSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913716 851841645 /nfs/dbraw/zinc/84/16/45/851841645.db2.gz XOPSQKTZRWUOTH-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923218 851843753 /nfs/dbraw/zinc/84/37/53/851843753.db2.gz LXGKWAJIHFSXHN-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212923 851876172 /nfs/dbraw/zinc/87/61/72/851876172.db2.gz OJXUSOVSWVUTLH-RCCFBDPRSA-N 2 0 353.507 0.793 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481599 851911857 /nfs/dbraw/zinc/91/18/57/851911857.db2.gz XFHZRRPUZRIAHL-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278395739 862313886 /nfs/dbraw/zinc/31/38/86/862313886.db2.gz DEVHJIJCXKPSOV-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CC2CCOCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001278464571 862339597 /nfs/dbraw/zinc/33/95/97/862339597.db2.gz MJBVEMGLDSRASH-IBGZPJMESA-N 2 0 352.523 0.631 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738390 852479691 /nfs/dbraw/zinc/47/96/91/852479691.db2.gz SNHDXMGKFSMAPO-FGTMMUONSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)[NH+](C)C ZINC001193961226 852517040 /nfs/dbraw/zinc/51/70/40/852517040.db2.gz NUJQVKYMWXWQNB-KURKYZTESA-N 2 0 355.523 0.941 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001194102101 852536891 /nfs/dbraw/zinc/53/68/91/852536891.db2.gz BPMNUBOWQVQMFC-JHJVBQTASA-N 2 0 355.401 0.457 20 0 FCADRP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832817 852658869 /nfs/dbraw/zinc/65/88/69/852658869.db2.gz TYYOPBHLPDXLTJ-RVKOJVRFSA-N 2 0 351.491 0.591 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)CCCC1 ZINC001195006353 852691180 /nfs/dbraw/zinc/69/11/80/852691180.db2.gz HBUJGMIENKSQEM-IAGOWNOFSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001195980840 852860149 /nfs/dbraw/zinc/86/01/49/852860149.db2.gz HDDGVINVSUJKTH-JHJVBQTASA-N 2 0 355.401 0.313 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208053 852916033 /nfs/dbraw/zinc/91/60/33/852916033.db2.gz XUWFAELLRPCBEP-BRWVUGGUSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251600 852924831 /nfs/dbraw/zinc/92/48/31/852924831.db2.gz LWMNAHNELZXUEL-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001196308062 852934588 /nfs/dbraw/zinc/93/45/88/852934588.db2.gz VUPRVGFWTXMQBF-BFHYXJOUSA-N 2 0 367.412 0.601 20 0 FCADRP COC(=O)c1cccc(C)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001197016338 853048445 /nfs/dbraw/zinc/04/84/45/853048445.db2.gz OAKWKWJEDUIDGT-UHFFFAOYSA-N 2 0 371.503 0.896 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197024389 853050777 /nfs/dbraw/zinc/05/07/77/853050777.db2.gz CHJBTPDRXYQWKP-ZACQAIPSSA-N 2 0 351.495 0.448 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001197826495 853169011 /nfs/dbraw/zinc/16/90/11/853169011.db2.gz ZVOCRGAPRODQBK-IAGOWNOFSA-N 2 0 353.507 0.696 20 0 FCADRP Cc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071149 853363212 /nfs/dbraw/zinc/36/32/12/853363212.db2.gz LIAASSVIELFSJO-IAGOWNOFSA-N 2 0 350.463 0.829 20 0 FCADRP CCc1nocc1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071176 853363869 /nfs/dbraw/zinc/36/38/69/853363869.db2.gz MNFNRKKJHJFKFZ-IAGOWNOFSA-N 2 0 350.463 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCC(F)F)C2)CC[N@@H+]1C ZINC001200547454 853502313 /nfs/dbraw/zinc/50/23/13/853502313.db2.gz NETRYKDJXUHJCS-RBSFLKMASA-N 2 0 363.449 0.815 20 0 FCADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635645 853506322 /nfs/dbraw/zinc/50/63/22/853506322.db2.gz BNYDPZBQRKAESH-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205507921 853618276 /nfs/dbraw/zinc/61/82/76/853618276.db2.gz LFPOONNYPFIHSV-DLBZAZTESA-N 2 0 353.507 0.650 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205668890 853626428 /nfs/dbraw/zinc/62/64/28/853626428.db2.gz XNHNWPGEGGGYQJ-GOEBONIOSA-N 2 0 350.438 0.537 20 0 FCADRP CC(C)CCN1C[C@@]23C[N@H+](CC4CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207435618 853811933 /nfs/dbraw/zinc/81/19/33/853811933.db2.gz RZXJWESIUNSWOC-SQNIBIBYSA-N 2 0 371.547 0.889 20 0 FCADRP O=C([C@H]1COC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2)N1CCOCC1 ZINC001207437004 853813436 /nfs/dbraw/zinc/81/34/36/853813436.db2.gz NDEKCVSTTIKOPW-QGZVFWFLSA-N 2 0 351.491 0.716 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)CC1CCN(S(C)(=O)=O)CC1 ZINC001207449055 853815247 /nfs/dbraw/zinc/81/52/47/853815247.db2.gz XSMYAAMSXMHYRI-UHFFFAOYSA-N 2 0 362.584 0.863 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208071311 853891433 /nfs/dbraw/zinc/89/14/33/853891433.db2.gz ZRWCGHCZQSJGFF-OWCLPIDISA-N 2 0 353.511 0.615 20 0 FCADRP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110951 853897666 /nfs/dbraw/zinc/89/76/66/853897666.db2.gz ZPTNYLDRYRDYCG-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447873 853935679 /nfs/dbraw/zinc/93/56/79/853935679.db2.gz QAHOZVGVWQBEOQ-UKRRQHHQSA-N 2 0 354.520 0.997 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485852 853941015 /nfs/dbraw/zinc/94/10/15/853941015.db2.gz UJQQGZKXMCZXQF-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611940 853960608 /nfs/dbraw/zinc/96/06/08/853960608.db2.gz YPLFQBNEJRLACJ-IEBWSBKVSA-N 2 0 352.523 0.489 20 0 FCADRP O[C@H]1C[NH2+]CCN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001210398244 854105475 /nfs/dbraw/zinc/10/54/75/854105475.db2.gz CFEFWZNOCSONOK-HNNXBMFYSA-N 2 0 369.307 0.625 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426987 854108981 /nfs/dbraw/zinc/10/89/81/854108981.db2.gz MKDLURCEUNGBHO-HZPDHXFCSA-N 2 0 355.527 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309438 854176277 /nfs/dbraw/zinc/17/62/77/854176277.db2.gz DYUNMWOLACHWCJ-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213203836 854531795 /nfs/dbraw/zinc/53/17/95/854531795.db2.gz ZDUKVNLRLGBQLW-ARFHVFGLSA-N 2 0 350.463 0.595 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CCC1 ZINC001213342189 854582669 /nfs/dbraw/zinc/58/26/69/854582669.db2.gz LBFKNGSDOKHJCI-BRWVUGGUSA-N 2 0 353.507 0.959 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213730424 854740718 /nfs/dbraw/zinc/74/07/18/854740718.db2.gz OYZYGNAOOAFIQD-BRWVUGGUSA-N 2 0 357.495 0.195 20 0 FCADRP CCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213759249 854754629 /nfs/dbraw/zinc/75/46/29/854754629.db2.gz BXMXYESFRXOFOZ-ARFHVFGLSA-N 2 0 356.511 0.448 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213759274 854755048 /nfs/dbraw/zinc/75/50/48/854755048.db2.gz CYNLBLDONNOING-GDBMZVCRSA-N 2 0 352.483 0.264 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863289 854797845 /nfs/dbraw/zinc/79/78/45/854797845.db2.gz JFKOSMHPBPFUDG-GVDBMIGSSA-N 2 0 357.495 0.195 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214597137 854975922 /nfs/dbraw/zinc/97/59/22/854975922.db2.gz DUMDQTLMFPSGDC-OIISXLGYSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648719 854987206 /nfs/dbraw/zinc/98/72/06/854987206.db2.gz VBUYUIMORNQOGX-DJIMGWMZSA-N 2 0 350.507 0.537 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847615 855022207 /nfs/dbraw/zinc/02/22/07/855022207.db2.gz LOVOEIOUZAUXSZ-IXDOHACOSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214861241 855024923 /nfs/dbraw/zinc/02/49/23/855024923.db2.gz MJZNOLKVBOVFLZ-GDBMZVCRSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214890340 855028988 /nfs/dbraw/zinc/02/89/88/855028988.db2.gz WKNCGKXQAWCAPV-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001215000073 855049740 /nfs/dbraw/zinc/04/97/40/855049740.db2.gz WTRVVLUDDLXSBW-RBSFLKMASA-N 2 0 361.552 0.834 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224032 855083255 /nfs/dbraw/zinc/08/32/55/855083255.db2.gz FIUHBVCUQQBWIQ-QGPMSJSTSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215298948 855098040 /nfs/dbraw/zinc/09/80/40/855098040.db2.gz OJBGKUUEIGAYBM-IJEWVQPXSA-N 2 0 350.507 0.964 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001215413622 855112133 /nfs/dbraw/zinc/11/21/33/855112133.db2.gz JBNKGAAHSUBTPU-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001215413391 855112265 /nfs/dbraw/zinc/11/22/65/855112265.db2.gz FCOFUGUCFFLKMQ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)on1 ZINC001215421904 855113209 /nfs/dbraw/zinc/11/32/09/855113209.db2.gz PQNNZVQLPRQKIO-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001215463377 855118281 /nfs/dbraw/zinc/11/82/81/855118281.db2.gz UMUIWKBEJVGJGO-JHJVBQTASA-N 2 0 364.412 0.538 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](CC)CC ZINC001215518789 855123647 /nfs/dbraw/zinc/12/36/47/855123647.db2.gz MHTGPGHHBVCLLF-BZUAXINKSA-N 2 0 353.511 0.569 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540305 855126502 /nfs/dbraw/zinc/12/65/02/855126502.db2.gz LGZDQHPUXQMDKA-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215540995 855126960 /nfs/dbraw/zinc/12/69/60/855126960.db2.gz UJDFWUYYKVDSTD-ZMSDIMECSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541031 855127491 /nfs/dbraw/zinc/12/74/91/855127491.db2.gz VIEWSOOJNAEBRX-HBUWYVDXSA-N 2 0 356.486 0.724 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001215571835 855128940 /nfs/dbraw/zinc/12/89/40/855128940.db2.gz XCVIMSYRSHZMOH-UTUOFQBUSA-N 2 0 352.401 0.442 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001215563489 855129007 /nfs/dbraw/zinc/12/90/07/855129007.db2.gz IQGDDQRWUZVGHS-HZSPNIEDSA-N 2 0 352.479 0.206 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001215598454 855131704 /nfs/dbraw/zinc/13/17/04/855131704.db2.gz BGFSCECRCRFNPT-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216053746 855167211 /nfs/dbraw/zinc/16/72/11/855167211.db2.gz WSJYWCMCCOZWAR-HZPDHXFCSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216326413 855192213 /nfs/dbraw/zinc/19/22/13/855192213.db2.gz AFPAHNZDMMKYMD-RHSMWYFYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216384067 855197732 /nfs/dbraw/zinc/19/77/32/855197732.db2.gz WPSUWNFSGCWUDB-MGPQQGTHSA-N 2 0 365.503 0.860 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001216401313 855199573 /nfs/dbraw/zinc/19/95/73/855199573.db2.gz JPQFDHZDLHMFLR-CHWSQXEVSA-N 2 0 359.421 0.793 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409466 855200061 /nfs/dbraw/zinc/20/00/61/855200061.db2.gz HNSYOIYXIZPKAY-BRWVUGGUSA-N 2 0 353.507 0.552 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001216490946 855206905 /nfs/dbraw/zinc/20/69/05/855206905.db2.gz XVXFGZRBIMYFGW-HZPDHXFCSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216839624 855254515 /nfs/dbraw/zinc/25/45/15/855254515.db2.gz YUFZAPAMGLXKRU-HZPDHXFCSA-N 2 0 359.536 0.734 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216979820 855272803 /nfs/dbraw/zinc/27/28/03/855272803.db2.gz BLKLTAVGRGCLHF-HZPDHXFCSA-N 2 0 359.536 0.734 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113660 855398229 /nfs/dbraw/zinc/39/82/29/855398229.db2.gz CLZVQPOFOSOLGH-BTDLBPIBSA-N 2 0 350.419 0.282 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001218289172 855412432 /nfs/dbraw/zinc/41/24/32/855412432.db2.gz JIZXRLLRMVQOTG-LLVKDONJSA-N 2 0 350.419 0.234 20 0 FCADRP CCOC(=O)c1c(C)csc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218532941 855435412 /nfs/dbraw/zinc/43/54/12/855435412.db2.gz WCHKZNMRAZMILP-GFCCVEGCSA-N 2 0 354.476 0.922 20 0 FCADRP CN1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533924 855436654 /nfs/dbraw/zinc/43/66/54/855436654.db2.gz UAXLPZFLAPLWGG-WCQYABFASA-N 2 0 365.503 0.350 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]32)CC1 ZINC001218550547 855437468 /nfs/dbraw/zinc/43/74/68/855437468.db2.gz DTCFOHOKAKTFPI-IXDOHACOSA-N 2 0 351.491 0.666 20 0 FCADRP CCc1cc(C(=O)OC)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)s1 ZINC001218546714 855437736 /nfs/dbraw/zinc/43/77/36/855437736.db2.gz HYHYGTMWPBATAJ-CYBMUJFWSA-N 2 0 354.476 0.786 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1nc(Br)cn2ccnc12 ZINC001218565095 855440583 /nfs/dbraw/zinc/44/05/83/855440583.db2.gz RTFQAMGRRMFJGW-QMMMGPOBSA-N 2 0 350.180 0.723 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1ncnn2c(Br)ccc12)C1CC[NH2+]CC1 ZINC001218568057 855441373 /nfs/dbraw/zinc/44/13/73/855441373.db2.gz YHHGNKCNESTVPG-LLVKDONJSA-N 2 0 353.224 0.179 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218600999 855447239 /nfs/dbraw/zinc/44/72/39/855447239.db2.gz WVTVHJUKRZAONQ-YESZJQIVSA-N 2 0 355.479 0.045 20 0 FCADRP [NH3+][C@H](C(=O)Nc1nnc2c[nH]cc(Br)c1-2)C1CC[NH2+]CC1 ZINC001218610142 855449737 /nfs/dbraw/zinc/44/97/37/855449737.db2.gz FYUZQJFSHFFWRQ-NSHDSACASA-N 2 0 353.224 0.986 20 0 FCADRP O=C(Nc1ncnc2[nH]cc(Br)c21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218616555 855450537 /nfs/dbraw/zinc/45/05/37/855450537.db2.gz XHDILIJQIGLLJB-XLKFXECMSA-N 2 0 365.235 0.858 20 0 FCADRP CCOC(=O)c1cnn2ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc12 ZINC001218615557 855450721 /nfs/dbraw/zinc/45/07/21/855450721.db2.gz ZTRJCIFFPXENOA-LBPRGKRZSA-N 2 0 351.432 0.469 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646650 855457083 /nfs/dbraw/zinc/45/70/83/855457083.db2.gz XIHXNRHXBGALFW-IXDOHACOSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H](COCC(=O)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21)[NH+]1CCCC1 ZINC001218651110 855458681 /nfs/dbraw/zinc/45/86/81/855458681.db2.gz UJEJATFCYOQWRE-YESZJQIVSA-N 2 0 357.470 0.759 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218713833 855468724 /nfs/dbraw/zinc/46/87/24/855468724.db2.gz SGPIMWGRUTYZBY-WDEREUQCSA-N 2 0 353.423 0.296 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001218805465 855481386 /nfs/dbraw/zinc/48/13/86/855481386.db2.gz XBUOAKYYYXVOKX-ZDUSSCGKSA-N 2 0 364.841 0.005 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(Br)ccc1O ZINC001218834089 855483857 /nfs/dbraw/zinc/48/38/57/855483857.db2.gz POHWPECAIVOSIV-LLVKDONJSA-N 2 0 357.252 0.844 20 0 FCADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218893218 855491916 /nfs/dbraw/zinc/49/19/16/855491916.db2.gz ZZQRXACNNXPTDA-HNNXBMFYSA-N 2 0 354.476 0.044 20 0 FCADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1 ZINC001218891334 855491948 /nfs/dbraw/zinc/49/19/48/855491948.db2.gz NTLIDOPAEZQIQA-INIZCTEOSA-N 2 0 370.519 0.776 20 0 FCADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001218896903 855492785 /nfs/dbraw/zinc/49/27/85/855492785.db2.gz BZCQAPZBTMGBFY-CQSZACIVSA-N 2 0 351.472 0.638 20 0 FCADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218894380 855492826 /nfs/dbraw/zinc/49/28/26/855492826.db2.gz OIXBAJJZBWXDPH-CQSZACIVSA-N 2 0 366.487 0.750 20 0 FCADRP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218894517 855492994 /nfs/dbraw/zinc/49/29/94/855492994.db2.gz PPVQWZQWDILLDG-NSHDSACASA-N 2 0 360.505 0.331 20 0 FCADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218901956 855494167 /nfs/dbraw/zinc/49/41/67/855494167.db2.gz RKGGJRQHSIQARY-GFCCVEGCSA-N 2 0 368.459 0.113 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001218971298 855505369 /nfs/dbraw/zinc/50/53/69/855505369.db2.gz XDODNJRNRMVQDZ-YESZJQIVSA-N 2 0 355.479 0.045 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(OC)cc1Cl ZINC001218984884 855506370 /nfs/dbraw/zinc/50/63/70/855506370.db2.gz ZKKMVAIRQWUHBQ-JTQLQIEISA-N 2 0 353.806 0.883 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219117776 855555101 /nfs/dbraw/zinc/55/51/01/855555101.db2.gz FAIAXDMFXRAURJ-HNNXBMFYSA-N 2 0 351.476 0.189 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001219271181 855612154 /nfs/dbraw/zinc/61/21/54/855612154.db2.gz QCBGHIUKKCJDMW-JTQLQIEISA-N 2 0 371.406 0.938 20 0 FCADRP Nc1c(F)cccc1N(C(=O)COCCOCC[NH3+])C1CC[NH2+]CC1 ZINC001219280875 855615142 /nfs/dbraw/zinc/61/51/42/855615142.db2.gz PHQKUZUSVDECQH-UHFFFAOYSA-N 2 0 354.426 0.485 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290945 855619030 /nfs/dbraw/zinc/61/90/30/855619030.db2.gz OZASBCWHRYYUQH-QWRGUYRKSA-N 2 0 351.426 0.544 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219565805 855716377 /nfs/dbraw/zinc/71/63/77/855716377.db2.gz OIOOFIHEHJQIAG-NSHDSACASA-N 2 0 358.899 0.234 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccccc1OC(F)(F)F ZINC001219575292 855720693 /nfs/dbraw/zinc/72/06/93/855720693.db2.gz HZRFOPUYDDWJMM-ZDUSSCGKSA-N 2 0 360.380 0.952 20 0 FCADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cccc(Br)c1 ZINC001219577580 855720895 /nfs/dbraw/zinc/72/08/95/855720895.db2.gz FYULYNCEDCLDAJ-MLGOLLRUSA-N 2 0 366.259 0.947 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580705 855721301 /nfs/dbraw/zinc/72/13/01/855721301.db2.gz QRUAXOMXGVUCBH-MELADBBJSA-N 2 0 374.279 0.416 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614116 855734028 /nfs/dbraw/zinc/73/40/28/855734028.db2.gz SAPWHHUJQMIADP-SWLSCSKDSA-N 2 0 358.364 0.083 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC[NH+](Cc2ccccn2)CC1 ZINC001219616102 855734913 /nfs/dbraw/zinc/73/49/13/855734913.db2.gz OPQGJBITYAXSJH-FUHWJXTLSA-N 2 0 350.438 0.472 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001219627793 855743174 /nfs/dbraw/zinc/74/31/74/855743174.db2.gz HFDTZOAUIVVXCV-SOLBZPMBSA-N 2 0 351.422 0.046 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219683895 855770792 /nfs/dbraw/zinc/77/07/92/855770792.db2.gz GYWZUXSHZYJDRH-QRTUWBSPSA-N 2 0 358.552 0.712 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766528 855804022 /nfs/dbraw/zinc/80/40/22/855804022.db2.gz VMPDGFLQTIHQIN-OWSLCNJRSA-N 2 0 352.523 0.445 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219794230 855815055 /nfs/dbraw/zinc/81/50/55/855815055.db2.gz UQPFEFUNENPSPG-OLMNPRSZSA-N 3 0 350.507 0.334 20 0 FCADRP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794914 855816059 /nfs/dbraw/zinc/81/60/59/855816059.db2.gz SNHDXMGKFSMAPO-SQNIBIBYSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801140 855820965 /nfs/dbraw/zinc/82/09/65/855820965.db2.gz UIPRFPDDLQCWMB-KBPBESRZSA-N 2 0 355.479 0.711 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814181 855829481 /nfs/dbraw/zinc/82/94/81/855829481.db2.gz WUXPAXGYXQIFIO-FGTMMUONSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH2+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834485 855837272 /nfs/dbraw/zinc/83/72/72/855837272.db2.gz QLQKWWGRAAQAGF-LDDOYCOJSA-N 2 0 357.495 0.289 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062273 855941139 /nfs/dbraw/zinc/94/11/39/855941139.db2.gz SOWMCYMOWJIRPY-HZPDHXFCSA-N 2 0 371.547 0.782 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072377 855947003 /nfs/dbraw/zinc/94/70/03/855947003.db2.gz SHEGOMFUWBIPOH-ZACQAIPSSA-N 2 0 355.523 0.821 20 0 FCADRP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+])ccc2O1 ZINC001220106650 855963443 /nfs/dbraw/zinc/96/34/43/855963443.db2.gz WNQPAKBRESLLFZ-LBPRGKRZSA-N 2 0 352.460 0.944 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220166642 855991498 /nfs/dbraw/zinc/99/14/98/855991498.db2.gz FABGFJFYEPBKAR-SUNYJGFJSA-N 2 0 354.495 0.284 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220265899 856035383 /nfs/dbraw/zinc/03/53/83/856035383.db2.gz BSXXZEMLZHMFFO-INIZCTEOSA-N 2 0 368.503 0.412 20 0 FCADRP COC(=O)[C@H](COCc1ccccc1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220456621 856135285 /nfs/dbraw/zinc/13/52/85/856135285.db2.gz VYWHUKDESKXVMS-HOTGVXAUSA-N 2 0 351.447 0.707 20 0 FCADRP [NH3+][C@@H](CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501689 856157042 /nfs/dbraw/zinc/15/70/42/856157042.db2.gz UDDUJHOGRXILQB-CABCVRRESA-N 2 0 351.472 0.217 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC001220522592 856166100 /nfs/dbraw/zinc/16/61/00/856166100.db2.gz AOOSSWFGBLAVDC-XJKSGUPXSA-N 2 0 350.463 0.130 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535669 856170959 /nfs/dbraw/zinc/17/09/59/856170959.db2.gz IRWRGMHZDRZWQP-HNNXBMFYSA-N 2 0 368.503 0.268 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CSCc1ccc(OC)cc1 ZINC001220583084 856193589 /nfs/dbraw/zinc/19/35/89/856193589.db2.gz DBBSSJKDTMMUBD-HNNXBMFYSA-N 2 0 369.487 0.606 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2O)CC1 ZINC001220642443 856217182 /nfs/dbraw/zinc/21/71/82/856217182.db2.gz BHAQOZLMKWIVPG-MSOLQXFVSA-N 2 0 351.491 0.759 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803138 856307685 /nfs/dbraw/zinc/30/76/85/856307685.db2.gz CEHGGWXRAQXXEZ-WHOHXGKFSA-N 2 0 352.401 0.521 20 0 FCADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C1CCC2(CC1)OCCO2 ZINC001220803178 856307820 /nfs/dbraw/zinc/30/78/20/856307820.db2.gz CKYAHQUXAYCHRX-XQQFMLRXSA-N 2 0 365.396 0.904 20 0 FCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CCC2(CC1)OCCO2 ZINC001220803002 856308307 /nfs/dbraw/zinc/30/83/07/856308307.db2.gz AXVJQRVBYYLPKX-WDEREUQCSA-N 2 0 351.369 0.658 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930526 856379580 /nfs/dbraw/zinc/37/95/80/856379580.db2.gz QWHFFWUJJATUQT-YDHLFZDLSA-N 2 0 355.479 0.804 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220936512 856384795 /nfs/dbraw/zinc/38/47/95/856384795.db2.gz GQKLDQOMIKAWMP-CVEARBPZSA-N 2 0 352.504 0.579 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001220985888 856407896 /nfs/dbraw/zinc/40/78/96/856407896.db2.gz IVOUIWCAFANYAK-OIISXLGYSA-N 2 0 353.507 0.552 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037325 856432763 /nfs/dbraw/zinc/43/27/63/856432763.db2.gz QKFBOVQUWLOZGP-MKBNYLNASA-N 2 0 350.438 0.835 20 0 FCADRP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073357 856449731 /nfs/dbraw/zinc/44/97/31/856449731.db2.gz RVSMIXLTPVHKSC-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]([NH3+])CC[S@](C)=O)CC[NH2+]CC2)c1 ZINC001221095536 856461730 /nfs/dbraw/zinc/46/17/30/856461730.db2.gz AGCNDDMHCLYWKZ-OWJWWREXSA-N 2 0 353.488 0.486 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001221155097 856488113 /nfs/dbraw/zinc/48/81/13/856488113.db2.gz ZPXMHNKZOQYING-KURKYZTESA-N 2 0 353.507 0.840 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)[C@H]2C1 ZINC001279269099 862804872 /nfs/dbraw/zinc/80/48/72/862804872.db2.gz JXQXRUBAXOFZFA-NCOADZHNSA-N 2 0 351.491 0.775 20 0 FCADRP CC(C)CC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCS(=O)(=O)CC1 ZINC001221214330 856518822 /nfs/dbraw/zinc/51/88/22/856518822.db2.gz BAXMNGHOGPBMNS-LBPRGKRZSA-N 2 0 351.538 0.115 20 0 FCADRP CC(C)CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCS(=O)(=O)CC1 ZINC001221214520 856519061 /nfs/dbraw/zinc/51/90/61/856519061.db2.gz GZMNODCIPAEEFN-HNNXBMFYSA-N 2 0 371.547 0.970 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221240981 856526667 /nfs/dbraw/zinc/52/66/67/856526667.db2.gz JUHLOSXFJDILME-JUFZMCDQSA-N 2 0 362.565 0.301 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221248137 856528829 /nfs/dbraw/zinc/52/88/29/856528829.db2.gz KTIJWHSWUSYTNA-FUHWJXTLSA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616527 856625711 /nfs/dbraw/zinc/62/57/11/856625711.db2.gz OFBZSIKUJAAPKG-FGTMMUONSA-N 2 0 353.507 0.791 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765629 856675561 /nfs/dbraw/zinc/67/55/61/856675561.db2.gz NEVLUGQNKDUZJV-WNRNVDISSA-N 2 0 353.507 0.912 20 0 FCADRP CCOC(=O)c1cc(CN2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c[nH]1 ZINC001279321030 862825862 /nfs/dbraw/zinc/82/58/62/862825862.db2.gz FDWZDNFEDADYDG-IYBDPMFKSA-N 2 0 350.463 0.638 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221883751 856722644 /nfs/dbraw/zinc/72/26/44/856722644.db2.gz SQQJTKYAJFCCLY-KZNAEPCWSA-N 2 0 355.523 0.894 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969044 856752079 /nfs/dbraw/zinc/75/20/79/856752079.db2.gz NWUHHJDNZLLKKK-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018214 856767838 /nfs/dbraw/zinc/76/78/38/856767838.db2.gz RWCWRCYYAWDPPL-KZNAEPCWSA-N 2 0 353.507 0.914 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222906557 856881619 /nfs/dbraw/zinc/88/16/19/856881619.db2.gz ZEWXNNKBZUFNGN-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222920954 856882032 /nfs/dbraw/zinc/88/20/32/856882032.db2.gz AMOBDOJSAFQQFE-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223387576 856911847 /nfs/dbraw/zinc/91/18/47/856911847.db2.gz HCTVCMMFCQNCSG-ZACQAIPSSA-N 2 0 371.547 0.686 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223424914 856914980 /nfs/dbraw/zinc/91/49/80/856914980.db2.gz JBKZHNBOGOJRKZ-UAGQMJEPSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223570084 856925787 /nfs/dbraw/zinc/92/57/87/856925787.db2.gz JBWZOQHMSWZYMV-GDBMZVCRSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223570408 856925862 /nfs/dbraw/zinc/92/58/62/856925862.db2.gz NRADJABSJOMWAG-GDBMZVCRSA-N 2 0 354.495 0.058 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846688 856946524 /nfs/dbraw/zinc/94/65/24/856946524.db2.gz RFFXCWQKVGQTAO-ZACQAIPSSA-N 2 0 371.547 0.686 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912318 856951158 /nfs/dbraw/zinc/95/11/58/856951158.db2.gz QVPZYFZXANTQHW-SJORKVTESA-N 2 0 351.491 0.668 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223978335 856954455 /nfs/dbraw/zinc/95/44/55/856954455.db2.gz XEMISXOWHDHBAH-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001225346063 857035941 /nfs/dbraw/zinc/03/59/41/857035941.db2.gz IDAYLCKIOYJKBN-OAGGEKHMSA-N 2 0 371.547 0.922 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001226322838 857097729 /nfs/dbraw/zinc/09/77/29/857097729.db2.gz BAVJLRGQLGCHJV-MWQQHZPXSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001226782446 857125750 /nfs/dbraw/zinc/12/57/50/857125750.db2.gz NCHVFAFTHPSZAX-BZUAXINKSA-N 2 0 371.547 0.922 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001226800445 857126748 /nfs/dbraw/zinc/12/67/48/857126748.db2.gz KYERFHLADQWURD-NUJGCVRESA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001226942227 857132974 /nfs/dbraw/zinc/13/29/74/857132974.db2.gz UDTQFCVYUYXKQQ-OAGGEKHMSA-N 2 0 353.511 0.615 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001227038834 857138190 /nfs/dbraw/zinc/13/81/90/857138190.db2.gz MXWZRYCCESNBBJ-RBSFLKMASA-N 2 0 352.479 0.493 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065618 857139449 /nfs/dbraw/zinc/13/94/49/857139449.db2.gz JOYMPKGXUNNNOK-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP CCN(C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001227444314 857160514 /nfs/dbraw/zinc/16/05/14/857160514.db2.gz PVXPGSDAFFXJJO-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC)[NH+](C)C ZINC001228660267 857220774 /nfs/dbraw/zinc/22/07/74/857220774.db2.gz CIIONBPNYSNRJE-OAGGEKHMSA-N 2 0 356.511 0.496 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001228669881 857222430 /nfs/dbraw/zinc/22/24/30/857222430.db2.gz WIEQRQIHROEIGC-BZUAXINKSA-N 2 0 354.495 0.250 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229231253 857259815 /nfs/dbraw/zinc/25/98/15/857259815.db2.gz PEAPRNBKDBAJRM-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229230624 857260261 /nfs/dbraw/zinc/26/02/61/857260261.db2.gz JXMOUKLCIZQUEO-GVDBMIGSSA-N 2 0 359.511 0.369 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001229388871 857267778 /nfs/dbraw/zinc/26/77/78/857267778.db2.gz JTFIPLBPJZLGCM-BZUAXINKSA-N 2 0 354.495 0.378 20 0 FCADRP COc1ccc(Br)nc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871228 857433464 /nfs/dbraw/zinc/43/34/64/857433464.db2.gz SKENCKUWBLKLQP-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP [NH3+]CCN(CC[NH3+])Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235877966 857434415 /nfs/dbraw/zinc/43/44/15/857434415.db2.gz XJRHGNVIRHHGJP-UHFFFAOYSA-N 3 0 356.312 0.578 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc2c(c(Cl)c1)OCO2 ZINC001236309498 857437524 /nfs/dbraw/zinc/43/75/24/857437524.db2.gz OYCFITURWRPGBP-UHFFFAOYSA-N 2 0 356.854 0.685 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1n[nH]c2ccc(Cl)cc21 ZINC001236308289 857437890 /nfs/dbraw/zinc/43/78/90/857437890.db2.gz IOVRWGUSXRYXEH-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(O)ccc1Br ZINC001236309830 857437967 /nfs/dbraw/zinc/43/79/67/857437967.db2.gz QNZSRYSBMTVHDA-UHFFFAOYSA-N 2 0 373.295 0.771 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1[nH]nc2cc(Cl)ccc21 ZINC001236310778 857438796 /nfs/dbraw/zinc/43/87/96/857438796.db2.gz AXMFGITUPMABFA-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(Br)c(O)c1 ZINC001236312478 857439787 /nfs/dbraw/zinc/43/97/87/857439787.db2.gz VCYWDDTZMYHSIS-UHFFFAOYSA-N 2 0 373.295 0.771 20 0 FCADRP CC1(C)N[C@@H](CC[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CO1 ZINC001236398191 857441008 /nfs/dbraw/zinc/44/10/08/857441008.db2.gz DCNLRTYGOMOHCZ-SFHVURJKSA-N 2 0 354.539 0.735 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1ccccc1CN1CC[NH2+]CC1 ZINC001237956045 857458487 /nfs/dbraw/zinc/45/84/87/857458487.db2.gz SWWXGAFIDZJRJC-UHFFFAOYSA-N 2 0 352.504 0.833 20 0 FCADRP COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238239522 857464787 /nfs/dbraw/zinc/46/47/87/857464787.db2.gz CTZGVQWDNCBRFC-CYBMUJFWSA-N 2 0 369.487 0.856 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2nccnc2c1 ZINC001238241148 857465394 /nfs/dbraw/zinc/46/53/94/857465394.db2.gz JGMWSBQGORFJNX-CYBMUJFWSA-N 2 0 361.471 0.782 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2c(c1)CCO2 ZINC001238243330 857465441 /nfs/dbraw/zinc/46/54/41/857465441.db2.gz TUUFGDQNRMGUBU-AWEZNQCLSA-N 2 0 351.472 0.774 20 0 FCADRP COc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243742 857465908 /nfs/dbraw/zinc/46/59/08/857465908.db2.gz VVQKIKQHVOZCTG-NSHDSACASA-N 2 0 374.894 0.896 20 0 FCADRP [NH3+]CCS(=O)(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001238578236 857472932 /nfs/dbraw/zinc/47/29/32/857472932.db2.gz LYEMIWFYGQPMSJ-CABCVRRESA-N 2 0 355.460 0.324 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001238845542 857484491 /nfs/dbraw/zinc/48/44/91/857484491.db2.gz HILSAVADZBXUEG-UHFFFAOYSA-N 2 0 352.504 0.665 20 0 FCADRP COc1ccc(C2(CNS(=O)(=O)C3CC[NH2+]CC3)CC[NH2+]CC2)cc1 ZINC001238849186 857484612 /nfs/dbraw/zinc/48/46/12/857484612.db2.gz CIBSFAYLXDHVHR-UHFFFAOYSA-N 2 0 367.515 0.988 20 0 FCADRP COc1ccc(OCCCS(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001238878775 857485563 /nfs/dbraw/zinc/48/55/63/857485563.db2.gz LMXAJAZKSAGZSD-UHFFFAOYSA-N 2 0 359.492 0.712 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001239076907 857507398 /nfs/dbraw/zinc/50/73/98/857507398.db2.gz HVXXLWGXKRPEEA-IRXDYDNUSA-N 2 0 364.515 0.775 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239081322 857509248 /nfs/dbraw/zinc/50/92/48/857509248.db2.gz PLSXECZDJHTBSI-UHFFFAOYSA-N 2 0 369.535 0.868 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001239081975 857509348 /nfs/dbraw/zinc/50/93/48/857509348.db2.gz OBRCCPNQBNAVLX-UHFFFAOYSA-N 2 0 353.488 0.642 20 0 FCADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001239082880 857510353 /nfs/dbraw/zinc/51/03/53/857510353.db2.gz ZJNUJVOMIYFMBM-CQSZACIVSA-N 2 0 353.492 0.423 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccccc1Cl ZINC001239130744 857518091 /nfs/dbraw/zinc/51/80/91/857518091.db2.gz FECOWJSMVKYZRJ-UHFFFAOYSA-N 2 0 362.883 0.145 20 0 FCADRP Cc1cc(C)c(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c(C)c1 ZINC001239131250 857518131 /nfs/dbraw/zinc/51/81/31/857518131.db2.gz KWZXNSFSLSUQCE-UHFFFAOYSA-N 2 0 370.519 0.416 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC001239295163 857526235 /nfs/dbraw/zinc/52/62/35/857526235.db2.gz GFCWITZYEOVWKS-UHFFFAOYSA-N 2 0 351.407 0.063 20 0 FCADRP [NH3+][C@@H]1CCN(c2ccc(F)cc2NC[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245972588 857561473 /nfs/dbraw/zinc/56/14/73/857561473.db2.gz ISXQLPCYNMXQFQ-CABCVRRESA-N 2 0 352.454 0.641 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001245979037 857562002 /nfs/dbraw/zinc/56/20/02/857562002.db2.gz SAILABXWTRHBJQ-XDNAFOTISA-N 3 0 355.429 0.696 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984156 857563053 /nfs/dbraw/zinc/56/30/53/857563053.db2.gz IFKJYIUJUNZVBS-YESZJQIVSA-N 3 0 355.429 0.696 20 0 FCADRP O[C@H](C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1)COCC(F)(F)C(F)F ZINC001245983527 857563077 /nfs/dbraw/zinc/56/30/77/857563077.db2.gz GUXHDMBNNKBVAP-VXGBXAGGSA-N 2 0 357.392 0.728 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084484 857568446 /nfs/dbraw/zinc/56/84/46/857568446.db2.gz SUBAGKBLHMDGCO-WMLDXEAASA-N 2 0 362.442 0.694 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)O3)C[C@H](C1)[NH2+]2 ZINC001246136563 857569383 /nfs/dbraw/zinc/56/93/83/857569383.db2.gz SCSKQOZEWPRHBP-GADNRMJZSA-N 3 0 351.491 0.949 20 0 FCADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246206942 857571223 /nfs/dbraw/zinc/57/12/23/857571223.db2.gz LOXRRFRTSGIUTN-RDBSUJKOSA-N 2 0 372.535 0.289 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]CCNCC[NH3+])CC2=O)c(OC)c1 ZINC001246405391 857576304 /nfs/dbraw/zinc/57/63/04/857576304.db2.gz ODYBNLRWGOEVEV-OAHLLOKOSA-N 2 0 350.463 0.333 20 0 FCADRP COc1cccc([C@@H](C[NH3+])N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)c1 ZINC001246511086 857583197 /nfs/dbraw/zinc/58/31/97/857583197.db2.gz OTKWZBJESRYDLG-VNQPRFMTSA-N 2 0 350.488 0.548 20 0 FCADRP O=C([C@@H]1C[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246677661 857589656 /nfs/dbraw/zinc/58/96/56/857589656.db2.gz KTYQMESBNWROBN-QZWWFDLISA-N 2 0 352.548 0.961 20 0 FCADRP CC(C)CN1C[C@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246692694 857590455 /nfs/dbraw/zinc/59/04/55/857590455.db2.gz IAWQWZBHOGQRTP-BRWVUGGUSA-N 2 0 370.563 0.462 20 0 FCADRP COCCN1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699260 857591858 /nfs/dbraw/zinc/59/18/58/857591858.db2.gz ZLQOJQFDTQPBBU-MSOLQXFVSA-N 2 0 352.523 0.141 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246711238 857594173 /nfs/dbraw/zinc/59/41/73/857594173.db2.gz SMLZPDRQWLLRDE-SUTQANCOSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736792 857595171 /nfs/dbraw/zinc/59/51/71/857595171.db2.gz BLIFIHISFLFFCO-DZVNLGKHSA-N 2 0 351.491 0.570 20 0 FCADRP CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246860199 857604607 /nfs/dbraw/zinc/60/46/07/857604607.db2.gz UIRCVXNOMFDWQC-WPECMILSSA-N 2 0 351.491 0.964 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCN[C@@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859610 857604639 /nfs/dbraw/zinc/60/46/39/857604639.db2.gz PVGVHULFGOCEGZ-YKWBPFFISA-N 2 0 361.408 1.000 20 0 FCADRP CCOC(=O)N1CCC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924717 857605286 /nfs/dbraw/zinc/60/52/86/857605286.db2.gz JEWXTLOXHPTGGD-HNNXBMFYSA-N 2 0 357.499 0.113 20 0 FCADRP COc1cnc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)c(Br)c1 ZINC001247852936 857617818 /nfs/dbraw/zinc/61/78/18/857617818.db2.gz YSXCYVJXXDPOGZ-UHFFFAOYSA-N 2 0 366.219 0.963 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=S)NCC[NH+](C)C)C[C@H]3C2)cn1 ZINC001249832107 857649355 /nfs/dbraw/zinc/64/93/55/857649355.db2.gz DTNMRHYKTSYUFH-HZPDHXFCSA-N 2 0 350.536 0.610 20 0 FCADRP COC(=O)[C@@]1(NC(=S)NCC[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001249845708 857653248 /nfs/dbraw/zinc/65/32/48/857653248.db2.gz HIVILDJLSIDCOA-GOSISDBHSA-N 2 0 364.515 0.830 20 0 FCADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252058574 857781915 /nfs/dbraw/zinc/78/19/15/857781915.db2.gz DPVNOTVQZDANQG-ROUUACIJSA-N 2 0 356.507 0.569 20 0 FCADRP CC(C)OC[C@@H](O)C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252676310 857830938 /nfs/dbraw/zinc/83/09/38/857830938.db2.gz FIKHPUZJKPXPLQ-INIZCTEOSA-N 2 0 354.495 0.953 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204036 857871696 /nfs/dbraw/zinc/87/16/96/857871696.db2.gz OTCOPNNEGYARFU-IAGOWNOFSA-N 2 0 351.491 0.644 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)C(C)(C)C)CC2 ZINC001253722587 857908541 /nfs/dbraw/zinc/90/85/41/857908541.db2.gz AEJSFQAMTYVHKD-INIZCTEOSA-N 2 0 354.539 0.564 20 0 FCADRP C[N@@H+]1CCC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001254517224 857976334 /nfs/dbraw/zinc/97/63/34/857976334.db2.gz GDTYFJFDBYXAFF-AWEZNQCLSA-N 2 0 355.508 0.275 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254855963 857988384 /nfs/dbraw/zinc/98/83/84/857988384.db2.gz SDBVPITWTAUABM-ZDUSSCGKSA-N 2 0 354.476 0.566 20 0 FCADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001279617006 862982401 /nfs/dbraw/zinc/98/24/01/862982401.db2.gz UMSHNZWSEDGHGL-UHFFFAOYSA-N 2 0 372.579 0.617 20 0 FCADRP C[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)OC(C)(C)C ZINC001256462367 858081517 /nfs/dbraw/zinc/08/15/17/858081517.db2.gz PPBDUWPYZBBVNQ-STQMWFEESA-N 2 0 360.459 0.912 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001256792907 858098889 /nfs/dbraw/zinc/09/88/89/858098889.db2.gz VMHUYUKUQBAVOH-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP CN(C)S(=O)(=O)N1CC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001279620979 862984985 /nfs/dbraw/zinc/98/49/85/862984985.db2.gz QJUYZEZXSQUUKB-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257732190 858157851 /nfs/dbraw/zinc/15/78/51/858157851.db2.gz BDEMRFJWYTXMRI-MGPQQGTHSA-N 2 0 356.467 0.573 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001257917451 858163342 /nfs/dbraw/zinc/16/33/42/858163342.db2.gz GSJYTMDQTFKWEJ-AWEZNQCLSA-N 2 0 364.508 0.037 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CC[N@@H+]3CCN2CCOCC2)CC1 ZINC001279772771 863055418 /nfs/dbraw/zinc/05/54/18/863055418.db2.gz RVSZQIYKUKSXEM-APWZRJJASA-N 2 0 350.507 0.336 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N1CC[NH2+]CCC12CCOCC2 ZINC001262556856 858998770 /nfs/dbraw/zinc/99/87/70/858998770.db2.gz DUBFENXKHYWLOY-IXDOHACOSA-N 2 0 351.491 0.905 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001263104078 859103483 /nfs/dbraw/zinc/10/34/83/859103483.db2.gz VFFODTZUJUUJJA-CABCVRRESA-N 2 0 356.536 0.565 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001263108513 859103490 /nfs/dbraw/zinc/10/34/90/859103490.db2.gz ZSZMDDQKPKYJMC-DAWZGUTISA-N 2 0 350.507 0.384 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)CC[NH2+]CC1 ZINC001263173747 859116942 /nfs/dbraw/zinc/11/69/42/859116942.db2.gz JCUBFRBOAZGCBD-CYBMUJFWSA-N 2 0 351.472 0.632 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001264000035 859274956 /nfs/dbraw/zinc/27/49/56/859274956.db2.gz BTGVXPTYEUVXBS-KGLIPLIRSA-N 2 0 355.483 0.001 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001264421322 859352689 /nfs/dbraw/zinc/35/26/89/859352689.db2.gz CRVXAYQURICXTR-FDYHWXHSSA-N 2 0 364.412 0.490 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001264650189 859414311 /nfs/dbraw/zinc/41/43/11/859414311.db2.gz IGGYMXZBBXJONL-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H](C1)O2 ZINC001269991930 859624397 /nfs/dbraw/zinc/62/43/97/859624397.db2.gz CSHZEFZATHAXOI-OAGGEKHMSA-N 2 0 353.511 0.940 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489660 859770254 /nfs/dbraw/zinc/77/02/54/859770254.db2.gz IDHCUFDNLBAODA-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273310386 860446502 /nfs/dbraw/zinc/44/65/02/860446502.db2.gz IGIZVECHQVGWCT-LJQANCHMSA-N 2 0 350.507 0.908 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500599 860509895 /nfs/dbraw/zinc/50/98/95/860509895.db2.gz BVQIOOVWNYVKRO-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001273504608 860511805 /nfs/dbraw/zinc/51/18/05/860511805.db2.gz YEUXGRSUSOBXCX-ZACQAIPSSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274041230 860665355 /nfs/dbraw/zinc/66/53/55/860665355.db2.gz CKKZVULISANXLF-IBGZPJMESA-N 2 0 354.539 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274178935 860699796 /nfs/dbraw/zinc/69/97/96/860699796.db2.gz JXNLYVXMQZBAJL-MRXNPFEDSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274399924 860742951 /nfs/dbraw/zinc/74/29/51/860742951.db2.gz KHKMJCOXBUFRSM-QFBILLFUSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)[C@@H]2C1 ZINC001275172425 860977356 /nfs/dbraw/zinc/97/73/56/860977356.db2.gz WOFWYCGZLPRWHQ-ARFHVFGLSA-N 2 0 363.531 0.730 20 0 FCADRP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)[C@@H]2C1 ZINC001275172428 860977852 /nfs/dbraw/zinc/97/78/52/860977852.db2.gz WOFWYCGZLPRWHQ-XHSDSOJGSA-N 2 0 363.531 0.730 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001275226550 860993574 /nfs/dbraw/zinc/99/35/74/860993574.db2.gz QCGRWFCBDXQTMH-JTDSTZFVSA-N 2 0 350.507 0.729 20 0 FCADRP COCCOCN1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508437 861115207 /nfs/dbraw/zinc/11/52/07/861115207.db2.gz SUFCHTNTSWTQDP-GOSISDBHSA-N 2 0 357.495 0.498 20 0 FCADRP CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556644 861127844 /nfs/dbraw/zinc/12/78/44/861127844.db2.gz NGUKEXAZVYGUCQ-DNVCBOLYSA-N 2 0 351.491 0.857 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557261 861129660 /nfs/dbraw/zinc/12/96/60/861129660.db2.gz WNNHPTUWAYPJSP-GOSISDBHSA-N 2 0 371.547 0.687 20 0 FCADRP CCN(CC)C(=O)CN1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737537 861179856 /nfs/dbraw/zinc/17/98/56/861179856.db2.gz LFDWIXFPKBPMTA-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CCS(=O)(=O)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737888 861181851 /nfs/dbraw/zinc/18/18/51/861181851.db2.gz QPVPCDJKXVKWOE-GOSISDBHSA-N 2 0 371.547 0.878 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275742991 861185153 /nfs/dbraw/zinc/18/51/53/861185153.db2.gz KCWWBLHXLOPJET-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914410 863133795 /nfs/dbraw/zinc/13/37/95/863133795.db2.gz QRLQLTRZKIEMIG-APWZRJJASA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)CC1 ZINC001280125135 863276947 /nfs/dbraw/zinc/27/69/47/863276947.db2.gz FCDKQGOMXUPTAP-BJWYYQGGSA-N 2 0 371.547 0.447 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](CC2(C)COC2)C3)CC1 ZINC001280180782 863311813 /nfs/dbraw/zinc/31/18/13/863311813.db2.gz SSGWXUNZDYAGON-INIZCTEOSA-N 2 0 351.491 0.572 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1nnc2n1CCN(CC[NH+](C)C)C2 ZINC001280220415 863345165 /nfs/dbraw/zinc/34/51/65/863345165.db2.gz BSWBDKPMHYTEKN-UHFFFAOYSA-N 2 0 351.499 0.069 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@@H]2C1 ZINC001280277970 863373864 /nfs/dbraw/zinc/37/38/64/863373864.db2.gz JAHSKXBMHUTQEW-HUUCEWRRSA-N 2 0 354.470 0.337 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001281847595 863817526 /nfs/dbraw/zinc/81/75/26/863817526.db2.gz HGKPQECQHBBELO-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001281977775 864015707 /nfs/dbraw/zinc/01/57/07/864015707.db2.gz OWDCBLXHJBSTPT-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC001281983702 864018869 /nfs/dbraw/zinc/01/88/69/864018869.db2.gz BJUFBSHUDIFFJQ-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001304852626 866554908 /nfs/dbraw/zinc/55/49/08/866554908.db2.gz VBKMZHGLKITKKM-UHFFFAOYSA-N 2 0 350.511 0.964 20 0 FCADRP C/C(=C/C(=O)NC[C@H](C1CC1)[NH+](C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001350978855 866747969 /nfs/dbraw/zinc/74/79/69/866747969.db2.gz BVIMYBSZSFMSLP-YVYLTUATSA-N 2 0 350.507 0.846 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCC2(C1)OCCO2 ZINC001351419784 866854757 /nfs/dbraw/zinc/85/47/57/866854757.db2.gz DWVDKFIFEWWDPZ-CVEARBPZSA-N 2 0 352.479 0.703 20 0 FCADRP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC001352839588 867270334 /nfs/dbraw/zinc/27/03/34/867270334.db2.gz PBJTYZCHFJJSFX-LLVKDONJSA-N 2 0 354.405 0.966 20 0 FCADRP COC1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC001353107983 867348533 /nfs/dbraw/zinc/34/85/33/867348533.db2.gz CWTNOGKQNYXRMB-UHFFFAOYSA-N 2 0 352.479 0.087 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001353149411 867361322 /nfs/dbraw/zinc/36/13/22/867361322.db2.gz MDCADLIJXLJGND-ZHALLVOQSA-N 2 0 350.507 0.289 20 0 FCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353149370 867361411 /nfs/dbraw/zinc/36/14/11/867361411.db2.gz LRJQDNCUOQSKPL-FGTMMUONSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001353507476 867439036 /nfs/dbraw/zinc/43/90/36/867439036.db2.gz NHWFAWQSKDLKNJ-ZACQAIPSSA-N 2 0 353.511 0.162 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353507499 867439341 /nfs/dbraw/zinc/43/93/41/867439341.db2.gz NWVUWSIBTDXDNA-SJORKVTESA-N 2 0 353.511 0.306 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001316754907 867453152 /nfs/dbraw/zinc/45/31/52/867453152.db2.gz APMNLTITWWOICA-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001353647055 867462952 /nfs/dbraw/zinc/46/29/52/867462952.db2.gz YGWOLGOAVZIVTB-ABHNRTSZSA-N 2 0 350.507 0.384 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879782 867684633 /nfs/dbraw/zinc/68/46/33/867684633.db2.gz OCXDVPHXMOSHOY-IZHWHUGBSA-N 2 0 352.504 0.691 20 0 FCADRP CC(C)(CO)[NH+]1CCN(CCCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC001319596196 867959204 /nfs/dbraw/zinc/95/92/04/867959204.db2.gz HGZKZKSNTBQUHB-UHFFFAOYSA-N 2 0 356.555 0.154 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCCC2)CC[N@@H+]1C ZINC001356941358 868063253 /nfs/dbraw/zinc/06/32/53/868063253.db2.gz VPSCYHDDMMAHBK-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320064257 868073565 /nfs/dbraw/zinc/07/35/65/868073565.db2.gz PUQUHZWKIPUMGH-KRWDZBQOSA-N 2 0 353.507 0.937 20 0 FCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001357630271 868142220 /nfs/dbraw/zinc/14/22/20/868142220.db2.gz OXWLCMFTRNKTOH-QLFBSQMISA-N 2 0 351.495 0.497 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001321371769 868448582 /nfs/dbraw/zinc/44/85/82/868448582.db2.gz RHRCLPXARBNRGT-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001323400587 869176945 /nfs/dbraw/zinc/17/69/45/869176945.db2.gz RGAYDHROBWNYPC-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325706763 869994618 /nfs/dbraw/zinc/99/46/18/869994618.db2.gz YBOJLXHLKIZHGA-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)COC3CCOCC3)CC2)CC1 ZINC001325872239 870070314 /nfs/dbraw/zinc/07/03/14/870070314.db2.gz UTBDPNYIPKJGAX-GOSISDBHSA-N 2 0 355.523 0.691 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001326341073 870265066 /nfs/dbraw/zinc/26/50/66/870265066.db2.gz QWMCECOIYVUAFF-UHFFFAOYSA-N 2 0 352.483 0.590 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001326582866 870394674 /nfs/dbraw/zinc/39/46/74/870394674.db2.gz UBVBNRYSZPPBIP-ZMSDIMECSA-N 2 0 371.547 0.937 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC001327585418 870958002 /nfs/dbraw/zinc/95/80/02/870958002.db2.gz WENXGEBPBNWDNQ-RDJZCZTQSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC001329058673 871801277 /nfs/dbraw/zinc/80/12/77/871801277.db2.gz BUVIBSADTOLHEB-CMPLNLGQSA-N 2 0 350.385 0.183 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@@H](C)C1 ZINC001346550430 871896422 /nfs/dbraw/zinc/89/64/22/871896422.db2.gz YDELCSFFIPPECJ-JYJNAYRXSA-N 2 0 354.495 0.242 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC001329240844 871907475 /nfs/dbraw/zinc/90/74/75/871907475.db2.gz KXIYOYVORRJKSB-RWMBFGLXSA-N 2 0 364.412 0.382 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC001346570097 871911252 /nfs/dbraw/zinc/91/12/52/871911252.db2.gz PMVMTCWQLWGKOX-DLBZAZTESA-N 2 0 353.511 0.337 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001329314921 871949525 /nfs/dbraw/zinc/94/95/25/871949525.db2.gz DCIBZONUKDJXSH-HOCLYGCPSA-N 2 0 360.524 0.133 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001329314919 871949590 /nfs/dbraw/zinc/94/95/90/871949590.db2.gz DCIBZONUKDJXSH-GDBMZVCRSA-N 2 0 360.524 0.133 20 0 FCADRP C[C@@H](CCC(=O)N1CC(C[NH+](C)C)C1)CC(=O)N1CC(C[NH+](C)C)C1 ZINC001329321515 871953329 /nfs/dbraw/zinc/95/33/29/871953329.db2.gz NPPYLHITYQHUQC-HNNXBMFYSA-N 2 0 352.523 0.833 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC001329434154 872025001 /nfs/dbraw/zinc/02/50/01/872025001.db2.gz PQAMFVKQXOJARH-WPRPVWTQSA-N 2 0 362.356 0.310 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC(C)C)C[C@H]1C ZINC001347438699 872334065 /nfs/dbraw/zinc/33/40/65/872334065.db2.gz PANDKHBAMOUWNE-KGLIPLIRSA-N 2 0 350.467 0.950 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001347555029 872389832 /nfs/dbraw/zinc/38/98/32/872389832.db2.gz YFHDFZLCABULKL-AWEZNQCLSA-N 2 0 350.463 0.872 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001330867173 872852149 /nfs/dbraw/zinc/85/21/49/872852149.db2.gz MVGJBTCYMIHLTF-INIZCTEOSA-N 2 0 353.488 0.661 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001331415404 873099717 /nfs/dbraw/zinc/09/97/17/873099717.db2.gz ISVKFHAIYURVHC-AWEZNQCLSA-N 2 0 350.463 0.988 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453747 873111080 /nfs/dbraw/zinc/11/10/80/873111080.db2.gz PLPPGTQPIFSWMQ-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331906714 873299916 /nfs/dbraw/zinc/29/99/16/873299916.db2.gz VYQWBCUXIHNWHW-BBWFWOEESA-N 2 0 353.511 0.175 20 0 FCADRP [NH3+]CCCCCCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332283287 873434797 /nfs/dbraw/zinc/43/47/97/873434797.db2.gz WQSXMAFDYGZEIQ-JKSUJKDBSA-N 2 0 351.495 0.642 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])C2CCCCC2)c1 ZINC001332393722 873492049 /nfs/dbraw/zinc/49/20/49/873492049.db2.gz KQXXELCDSRCSIZ-HNNXBMFYSA-N 2 0 354.476 0.770 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001332974829 873741935 /nfs/dbraw/zinc/74/19/35/873741935.db2.gz BWDOUVMYFYHTQD-PWSUYJOCSA-N 2 0 354.405 0.964 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573732811 948609533 /nfs/dbraw/zinc/60/95/33/948609533.db2.gz YLWJJQUVVRBWDM-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263746 949406757 /nfs/dbraw/zinc/40/67/57/949406757.db2.gz JEPGRKLZQVGFRY-DYVFJYSZSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575264194 949420397 /nfs/dbraw/zinc/42/03/97/949420397.db2.gz MUDSHCYWBDKKAJ-VXGBXAGGSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574955853 949572245 /nfs/dbraw/zinc/57/22/45/949572245.db2.gz GAXXRULCKHOZMQ-XJKCOSOUSA-N 2 0 357.462 0.801 20 0 FCADRP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575271788 949629277 /nfs/dbraw/zinc/62/92/77/949629277.db2.gz MDKGEQKNMMYYGH-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575273046 949658664 /nfs/dbraw/zinc/65/86/64/949658664.db2.gz UYOYBARMJANQQJ-CYBMUJFWSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575274111 949679081 /nfs/dbraw/zinc/67/90/81/949679081.db2.gz YTIGXNZJOGDOND-LLVKDONJSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574721205 949815269 /nfs/dbraw/zinc/81/52/69/949815269.db2.gz LACYMQNWCPCGRB-LLVKDONJSA-N 2 0 351.480 0.816 20 0 FCADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725281 949898677 /nfs/dbraw/zinc/89/86/77/949898677.db2.gz RCEKPDBQYZZZOH-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574726287 949936653 /nfs/dbraw/zinc/93/66/53/949936653.db2.gz YOZYBUQNEITUJR-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574158032 950268469 /nfs/dbraw/zinc/26/84/69/950268469.db2.gz NBZDSFXAUWZJRG-ZIAGYGMSSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203692 950451353 /nfs/dbraw/zinc/45/13/53/950451353.db2.gz IMQWERSEVMWCFF-GDBMZVCRSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576204998 950489035 /nfs/dbraw/zinc/48/90/35/950489035.db2.gz FNHQLHORXIEXEQ-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205477 950519214 /nfs/dbraw/zinc/51/92/14/950519214.db2.gz YZZFCAGBNOAOSZ-OLZOCXBDSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206258 950567657 /nfs/dbraw/zinc/56/76/57/950567657.db2.gz VVEZZJRWZHVHHS-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576206610 950577111 /nfs/dbraw/zinc/57/71/11/950577111.db2.gz YGBRYVJNIZESDC-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208704 950615450 /nfs/dbraw/zinc/61/54/50/950615450.db2.gz TZKCEKGVDRUELL-MCIONIFRSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576209234 950625786 /nfs/dbraw/zinc/62/57/86/950625786.db2.gz ZSPAFPUMPKBQOL-KBPBESRZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575928134 950775208 /nfs/dbraw/zinc/77/52/08/950775208.db2.gz YZHUTJITSNLEMZ-JSGCOSHPSA-N 2 0 356.434 0.181 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001570989105 950821032 /nfs/dbraw/zinc/82/10/32/950821032.db2.gz ZAZIFIQKIOBASY-HZPDHXFCSA-N 2 0 357.462 0.897 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004642 951151437 /nfs/dbraw/zinc/15/14/37/951151437.db2.gz OXRDIZYOSYRSMV-DGCLKSJQSA-N 2 0 361.475 0.713 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081988 951729878 /nfs/dbraw/zinc/72/98/78/951729878.db2.gz WWJBFAMCENXKCU-GFCCVEGCSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575099588 951836600 /nfs/dbraw/zinc/83/66/00/951836600.db2.gz NLNRGDOTBUCDOB-AAEUAGOBSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575100152 951841793 /nfs/dbraw/zinc/84/17/93/951841793.db2.gz RCEKUSSIFOVIME-NWDGAFQWSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107044 951911734 /nfs/dbraw/zinc/91/17/34/951911734.db2.gz XXQCEQHLGYLUNM-CJNGLKHVSA-N 2 0 357.462 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063194 951963763 /nfs/dbraw/zinc/96/37/63/951963763.db2.gz JSYOOBJCKFHQQQ-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063196 951964063 /nfs/dbraw/zinc/96/40/63/951964063.db2.gz JSYOOBJCKFHQQQ-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065051 951983306 /nfs/dbraw/zinc/98/33/06/951983306.db2.gz YYQHUNSAFKIQEK-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575143467 952152896 /nfs/dbraw/zinc/15/28/96/952152896.db2.gz ASKVEZMZZPBTSH-CYBMUJFWSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575145347 952183350 /nfs/dbraw/zinc/18/33/50/952183350.db2.gz VYOBKELGRFAFGA-GFCCVEGCSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575147731 952201182 /nfs/dbraw/zinc/20/11/82/952201182.db2.gz VDNIWHXRTFVEDT-ZDUSSCGKSA-N 2 0 372.477 0.674 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105102 952386874 /nfs/dbraw/zinc/38/68/74/952386874.db2.gz HQXREFNTBOOPQQ-HOCLYGCPSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105216 952391087 /nfs/dbraw/zinc/39/10/87/952391087.db2.gz KEABLVIRZITION-BBRMVZONSA-N 2 0 373.436 0.791 20 0 FCADRP Cc1c(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000292275999 214090354 /nfs/dbraw/zinc/09/03/54/214090354.db2.gz OFQOQSIPNPIVKU-UHFFFAOYSA-N 2 0 356.474 0.995 20 0 FCADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)C[NH+](C)C)nc1)C[NH+](C)C ZINC000293948702 214214041 /nfs/dbraw/zinc/21/40/41/214214041.db2.gz VIRKHBGTMPFLFG-CABCVRRESA-N 2 0 363.506 0.937 20 0 FCADRP C[NH+](CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CC2)cn1)C1CC1 ZINC000291550894 214041818 /nfs/dbraw/zinc/04/18/18/214041818.db2.gz QECMNOFCPXGJKV-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@H]2C1 ZINC000410983666 529807101 /nfs/dbraw/zinc/80/71/01/529807101.db2.gz QBTXLZLHKQSMQG-ROUUACIJSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472842 529860990 /nfs/dbraw/zinc/86/09/90/529860990.db2.gz SFUJYQUVFUXRQF-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410557885 529886252 /nfs/dbraw/zinc/88/62/52/529886252.db2.gz OZVHWURLDQMRPL-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410432146 529907696 /nfs/dbraw/zinc/90/76/96/529907696.db2.gz JDTKXXFTLYCJST-UHFFFAOYSA-N 2 0 366.506 0.111 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]C1 ZINC000331472817 215002054 /nfs/dbraw/zinc/00/20/54/215002054.db2.gz UQNDHWXYKDRRNJ-LJQANCHMSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC000331496446 215004780 /nfs/dbraw/zinc/00/47/80/215004780.db2.gz AWXPNMIVYOMERW-QFBILLFUSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331502402 215006258 /nfs/dbraw/zinc/00/62/58/215006258.db2.gz QZZVBPDJKZDSDB-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331551329 215012694 /nfs/dbraw/zinc/01/26/94/215012694.db2.gz RTUIUBUPVOYYMV-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331572060 215017736 /nfs/dbraw/zinc/01/77/36/215017736.db2.gz LQFOVSTVXSTWNJ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000331590616 215019437 /nfs/dbraw/zinc/01/94/37/215019437.db2.gz YGWYELDJCOSBNB-TWMKSMIVSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331649096 215029068 /nfs/dbraw/zinc/02/90/68/215029068.db2.gz QUSDALGFYDOMRC-HOTGVXAUSA-N 2 0 351.495 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000331809191 215049822 /nfs/dbraw/zinc/04/98/22/215049822.db2.gz NQDOCMDKTYNLLK-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000331796487 215047143 /nfs/dbraw/zinc/04/71/43/215047143.db2.gz LILHLCJLEOAHEG-IXDOHACOSA-N 2 0 366.506 0.286 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000331852797 215056639 /nfs/dbraw/zinc/05/66/39/215056639.db2.gz WQKJZMOQEYEOIJ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331910127 215066602 /nfs/dbraw/zinc/06/66/02/215066602.db2.gz HXZISMPDDOORCO-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000264991055 210033563 /nfs/dbraw/zinc/03/35/63/210033563.db2.gz BPMVBDQEZSDYSI-MSOLQXFVSA-N 2 0 358.486 0.787 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332225076 215112436 /nfs/dbraw/zinc/11/24/36/215112436.db2.gz YXGDELLPXYMOHK-CVEARBPZSA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)[N@H+](C)C1 ZINC000332424880 215149864 /nfs/dbraw/zinc/14/98/64/215149864.db2.gz SYHQBWJBBKQDTN-IRXDYDNUSA-N 2 0 361.490 0.511 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000332446644 215154249 /nfs/dbraw/zinc/15/42/49/215154249.db2.gz DXQUUPRBHPSDCY-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000332509713 215163134 /nfs/dbraw/zinc/16/31/34/215163134.db2.gz YXDNQGHTCOLXQS-ZACQAIPSSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000332522709 215167229 /nfs/dbraw/zinc/16/72/29/215167229.db2.gz QEVLXXKUPVEADB-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000332550554 215177262 /nfs/dbraw/zinc/17/72/62/215177262.db2.gz PGVPRZIKBVOWPS-NVXWUHKLSA-N 2 0 366.506 0.001 20 0 FCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406869 215276495 /nfs/dbraw/zinc/27/64/95/215276495.db2.gz ZICGCLIMXDCUBJ-JKSUJKDBSA-N 2 0 359.478 0.977 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501141 215289815 /nfs/dbraw/zinc/28/98/15/215289815.db2.gz FLFOUBPFLITMLL-MCIONIFRSA-N 2 0 363.428 0.701 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333669709 215308209 /nfs/dbraw/zinc/30/82/09/215308209.db2.gz MWQRDVKGKASGDA-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000333686005 215309691 /nfs/dbraw/zinc/30/96/91/215309691.db2.gz PGMYPCRIQYIAAV-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333774620 215319280 /nfs/dbraw/zinc/31/92/80/215319280.db2.gz CPWZSRKPCFGHEO-IRXDYDNUSA-N 2 0 367.538 0.422 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333809896 215320674 /nfs/dbraw/zinc/32/06/74/215320674.db2.gz JBJHETUIAYEXCA-HNNXBMFYSA-N 2 0 351.495 0.596 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333823520 215322886 /nfs/dbraw/zinc/32/28/86/215322886.db2.gz LELCPZLMQLQOAA-QGZVFWFLSA-N 2 0 354.495 0.509 20 0 FCADRP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333824295 215322895 /nfs/dbraw/zinc/32/28/95/215322895.db2.gz LIPFAKGKNYZZKN-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP C[C@H](NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863984 215325805 /nfs/dbraw/zinc/32/58/05/215325805.db2.gz QNPJXWGYWXLWPB-ULQDDVLXSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863982 215326135 /nfs/dbraw/zinc/32/61/35/215326135.db2.gz QNPJXWGYWXLWPB-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360573849 215364931 /nfs/dbraw/zinc/36/49/31/215364931.db2.gz ULJQZWRYNDXJFS-LSDHHAIUSA-N 2 0 353.467 0.584 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000361106789 215380662 /nfs/dbraw/zinc/38/06/62/215380662.db2.gz OWGUWBATHZBYGU-KZNAEPCWSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000285261636 213313581 /nfs/dbraw/zinc/31/35/81/213313581.db2.gz ZQUWNKOEYKKOAY-DOTOQJQBSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000285261643 213312963 /nfs/dbraw/zinc/31/29/63/213312963.db2.gz ZQUWNKOEYKKOAY-RDJZCZTQSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000285076679 213277707 /nfs/dbraw/zinc/27/77/07/213277707.db2.gz POUBLADKWCSWBJ-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989811 213261867 /nfs/dbraw/zinc/26/18/67/213261867.db2.gz SRYNCYPKVHNCKY-QAPCUYQASA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000284850113 213235163 /nfs/dbraw/zinc/23/51/63/213235163.db2.gz NOTIHGRFDVKFKS-UHFFFAOYSA-N 2 0 358.486 0.931 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CCCC1 ZINC000284599811 213177535 /nfs/dbraw/zinc/17/75/35/213177535.db2.gz XLDSFLMZUIAWQH-HNNXBMFYSA-N 2 0 359.474 0.767 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182828 213092327 /nfs/dbraw/zinc/09/23/27/213092327.db2.gz RDFACZLULVNBLZ-KBXCAEBGSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1CCC1 ZINC000284180186 213091193 /nfs/dbraw/zinc/09/11/93/213091193.db2.gz UCZJWLTZCNQNKQ-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000284124981 213079798 /nfs/dbraw/zinc/07/97/98/213079798.db2.gz RNCOALQBPRMBOR-KURKYZTESA-N 2 0 358.486 0.958 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000262420015 209585499 /nfs/dbraw/zinc/58/54/99/209585499.db2.gz RQPOLDGCSNVPOQ-UHFFFAOYSA-N 2 0 369.487 0.732 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)N1CCOCC1 ZINC000245904818 209377607 /nfs/dbraw/zinc/37/76/07/209377607.db2.gz SWRBNDVHUHVADF-IKGGRYGDSA-N 2 0 356.511 0.440 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000237402751 209351942 /nfs/dbraw/zinc/35/19/42/209351942.db2.gz LTBZINUUVOEIIM-HUUCEWRRSA-N 2 0 364.494 0.822 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC[NH2+]CC3)c2)CC1 ZINC000237227272 209349460 /nfs/dbraw/zinc/34/94/60/209349460.db2.gz LGHYTEDJMGNOSZ-UHFFFAOYSA-N 2 0 366.487 0.561 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000237173269 209348975 /nfs/dbraw/zinc/34/89/75/209348975.db2.gz GWZXFDVPSHMNGR-INIZCTEOSA-N 2 0 364.515 0.689 20 0 FCADRP CC1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000368368477 216238973 /nfs/dbraw/zinc/23/89/73/216238973.db2.gz AVMCSMPLNRQNQG-QZTJIDSGSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368658707 216277887 /nfs/dbraw/zinc/27/78/87/216277887.db2.gz MNCLEIHTUAABOG-MSOLQXFVSA-N 2 0 352.523 0.506 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnns1 ZINC000192085662 209296351 /nfs/dbraw/zinc/29/63/51/209296351.db2.gz RIKVQRGXCQWTDT-LBPRGKRZSA-N 2 0 354.480 0.351 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192188381 209297457 /nfs/dbraw/zinc/29/74/57/209297457.db2.gz QFSCFEXSPPTSNZ-UHFFFAOYSA-N 2 0 369.554 0.624 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825962 216301356 /nfs/dbraw/zinc/30/13/56/216301356.db2.gz PDQXODRPEAYVBK-MRXNPFEDSA-N 2 0 367.538 0.959 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036871 216336426 /nfs/dbraw/zinc/33/64/26/216336426.db2.gz RTXRWNMEUNHEDJ-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395166 216393180 /nfs/dbraw/zinc/39/31/80/216393180.db2.gz LDASNEOEOPXSOX-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369401760 216396921 /nfs/dbraw/zinc/39/69/21/216396921.db2.gz NSCXIXVRIPQLCS-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000190016060 209265238 /nfs/dbraw/zinc/26/52/38/209265238.db2.gz QRAXLIAPZZRPBU-OAHLLOKOSA-N 2 0 362.478 0.470 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188748948 209238448 /nfs/dbraw/zinc/23/84/48/209238448.db2.gz JWQPIZADFOBVEI-HUUCEWRRSA-N 2 0 360.506 0.686 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)ccn2)CC1 ZINC000188796009 209239280 /nfs/dbraw/zinc/23/92/80/209239280.db2.gz XTMBHDYISBORKX-UHFFFAOYSA-N 2 0 355.446 0.132 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)cc2)CC1 ZINC000188795906 209238601 /nfs/dbraw/zinc/23/86/01/209238601.db2.gz KKYOUHFIWPOFRE-UHFFFAOYSA-N 2 0 368.485 0.733 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000187980544 209221583 /nfs/dbraw/zinc/22/15/83/209221583.db2.gz YHEYXAWYGBHZRH-RBUKOAKNSA-N 2 0 360.502 0.687 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000187979653 209220816 /nfs/dbraw/zinc/22/08/16/209220816.db2.gz RVKHYJIGYAUTMN-RBUKOAKNSA-N 2 0 360.502 0.817 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275491518 212037011 /nfs/dbraw/zinc/03/70/11/212037011.db2.gz PPQMPDSIXYYASE-UHFFFAOYSA-N 2 0 364.490 0.814 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000414654648 245307477 /nfs/dbraw/zinc/30/74/77/245307477.db2.gz CJFBRHHEWSOVEB-INIZCTEOSA-N 2 0 362.474 0.818 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414683461 245312623 /nfs/dbraw/zinc/31/26/23/245312623.db2.gz TXJBFJGIIODDAP-GASCZTMLSA-N 2 0 362.474 0.960 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000414716885 245313623 /nfs/dbraw/zinc/31/36/23/245313623.db2.gz PBLAVSDHCNSAGW-UHFFFAOYSA-N 2 0 373.501 0.585 20 0 FCADRP COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414899487 245328099 /nfs/dbraw/zinc/32/80/99/245328099.db2.gz BYTHGUJFGVZOQG-ZDUSSCGKSA-N 2 0 362.430 0.180 20 0 FCADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000414867104 245329297 /nfs/dbraw/zinc/32/92/97/245329297.db2.gz OCCXBIYSTIGLFI-AWEZNQCLSA-N 2 0 350.463 0.916 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC000415121650 245349120 /nfs/dbraw/zinc/34/91/20/245349120.db2.gz ZCQUQXXHZQTRBK-QGZVFWFLSA-N 2 0 352.523 0.808 20 0 FCADRP [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2C1 ZINC000415119094 245350528 /nfs/dbraw/zinc/35/05/28/245350528.db2.gz YQINYUKORPQDNL-RDJZCZTQSA-N 2 0 371.485 0.923 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC000415121648 245350658 /nfs/dbraw/zinc/35/06/58/245350658.db2.gz ZCQUQXXHZQTRBK-KRWDZBQOSA-N 2 0 352.523 0.808 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954531 245338066 /nfs/dbraw/zinc/33/80/66/245338066.db2.gz LIYQITMXISPMEB-WBMJQRKESA-N 2 0 358.442 0.706 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@@H+]1C1CC1 ZINC000414946378 245338639 /nfs/dbraw/zinc/33/86/39/245338639.db2.gz TXEYGIQUYKHGDN-DOMZBBRYSA-N 2 0 358.442 0.849 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275392156 212018123 /nfs/dbraw/zinc/01/81/23/212018123.db2.gz CPCDWJGMDZNWSY-UHFFFAOYSA-N 2 0 350.463 0.424 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000415322790 245385222 /nfs/dbraw/zinc/38/52/22/245385222.db2.gz BZEFAICGNKGURT-OAHLLOKOSA-N 2 0 362.474 0.990 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415358641 245398857 /nfs/dbraw/zinc/39/88/57/245398857.db2.gz ITTOVFAPBZXAGY-UHFFFAOYSA-N 2 0 359.474 0.493 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075967 217093199 /nfs/dbraw/zinc/09/31/99/217093199.db2.gz YMLDAMIQBHHCTF-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374941345 217194124 /nfs/dbraw/zinc/19/41/24/217194124.db2.gz BIAKALHFINKCMJ-UHFFFAOYSA-N 2 0 373.563 0.747 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551631 245707216 /nfs/dbraw/zinc/70/72/16/245707216.db2.gz OEVKURMRZVQKKC-JKSUJKDBSA-N 2 0 353.511 0.603 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000375936028 217335640 /nfs/dbraw/zinc/33/56/40/217335640.db2.gz UTZSNBWHZPVXEJ-SFHVURJKSA-N 2 0 354.470 0.529 20 0 FCADRP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+](C)C1CC1 ZINC000376331796 217385685 /nfs/dbraw/zinc/38/56/85/217385685.db2.gz CENBBPHICZDXGK-ZBSSRIJBSA-N 2 0 365.522 0.852 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418863723 245876624 /nfs/dbraw/zinc/87/66/24/245876624.db2.gz PQXHNWGORLPZSX-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418932173 245913800 /nfs/dbraw/zinc/91/38/00/245913800.db2.gz GAHHLWZIMZCDPH-LJQANCHMSA-N 2 0 350.507 0.971 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129598 246004621 /nfs/dbraw/zinc/00/46/21/246004621.db2.gz YNVNDTLOVHLLLL-HOTGVXAUSA-N 2 0 355.527 0.008 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000419131346 246006506 /nfs/dbraw/zinc/00/65/06/246006506.db2.gz GSDNIMCFAIUARS-AWEZNQCLSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419131827 246007028 /nfs/dbraw/zinc/00/70/28/246007028.db2.gz GYRRTRSCSGXGAO-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419135034 246008905 /nfs/dbraw/zinc/00/89/05/246008905.db2.gz LPOKAKSKVOGYRV-FGTMMUONSA-N 2 0 356.470 0.445 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000419137067 246011265 /nfs/dbraw/zinc/01/12/65/246011265.db2.gz PXXCZPYLBHEGCG-CQSZACIVSA-N 2 0 362.474 0.487 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419150156 246017169 /nfs/dbraw/zinc/01/71/69/246017169.db2.gz LXDNZMADTWTSFQ-HXUWFJFHSA-N 2 0 374.485 0.455 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000419164625 246027684 /nfs/dbraw/zinc/02/76/84/246027684.db2.gz AECWBEQZDVGNFU-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171371 246033492 /nfs/dbraw/zinc/03/34/92/246033492.db2.gz XNYPSIVZNBFEDF-MSOLQXFVSA-N 2 0 374.485 0.247 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419175984 246035281 /nfs/dbraw/zinc/03/52/81/246035281.db2.gz YLFNHNOVGOVMSE-IKGGRYGDSA-N 2 0 368.522 0.722 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176117 246035992 /nfs/dbraw/zinc/03/59/92/246035992.db2.gz YQHLKAHPFDDWNB-SJLPKXTDSA-N 2 0 358.486 0.521 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419182577 246038689 /nfs/dbraw/zinc/03/86/89/246038689.db2.gz CLYKGKJZTMHFBZ-KRWDZBQOSA-N 2 0 367.538 0.152 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419180460 246039401 /nfs/dbraw/zinc/03/94/01/246039401.db2.gz JWTJSKXDIJZBDE-MRXNPFEDSA-N 2 0 354.495 0.252 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000419186452 246042051 /nfs/dbraw/zinc/04/20/51/246042051.db2.gz IEBMVXSNEFNAJO-SFHVURJKSA-N 2 0 374.485 0.180 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H]1C[NH3+] ZINC000419185111 246042243 /nfs/dbraw/zinc/04/22/43/246042243.db2.gz GVBBFCSACLYZEO-CRAIPNDOSA-N 2 0 373.501 0.748 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419188382 246043421 /nfs/dbraw/zinc/04/34/21/246043421.db2.gz SNTOXTHQGNMAHT-HZPDHXFCSA-N 2 0 352.479 0.004 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419191634 246043689 /nfs/dbraw/zinc/04/36/89/246043689.db2.gz OHRHLTGFYMBIHB-UHFFFAOYSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C[NH2+]1 ZINC000419190020 246044832 /nfs/dbraw/zinc/04/48/32/246044832.db2.gz MEPRVUPHNKKRPT-HUUCEWRRSA-N 2 0 359.474 0.371 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419196151 246045416 /nfs/dbraw/zinc/04/54/16/246045416.db2.gz WPNKZCKKMZBZTK-INIZCTEOSA-N 2 0 360.502 0.781 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419212222 246056839 /nfs/dbraw/zinc/05/68/39/246056839.db2.gz UKKVFGZNOLBSAN-NQIIRXRSSA-N 2 0 370.497 0.979 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221875 246062205 /nfs/dbraw/zinc/06/22/05/246062205.db2.gz AWMUEZXXZWEKRR-OQIJWPOYSA-N 2 0 370.497 0.691 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419197465 246047622 /nfs/dbraw/zinc/04/76/22/246047622.db2.gz BYFSDXAWUIMIKC-GOSISDBHSA-N 2 0 356.470 0.803 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419198886 246048210 /nfs/dbraw/zinc/04/82/10/246048210.db2.gz ZJASDWOAGUJDKX-QGZVFWFLSA-N 2 0 362.449 0.760 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000419199594 246048823 /nfs/dbraw/zinc/04/88/23/246048823.db2.gz DTDVRFORKXRVRH-WMLDXEAASA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419199604 246048964 /nfs/dbraw/zinc/04/89/64/246048964.db2.gz DTWRNWHQVMGWFS-GDBMZVCRSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000419199595 246049382 /nfs/dbraw/zinc/04/93/82/246049382.db2.gz DTDVRFORKXRVRH-YOEHRIQHSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C)C[NH2+]1 ZINC000419202308 246051326 /nfs/dbraw/zinc/05/13/26/246051326.db2.gz GZTVIMRYUOBTEJ-HUUCEWRRSA-N 2 0 362.474 0.452 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419207358 246054962 /nfs/dbraw/zinc/05/49/62/246054962.db2.gz MKIOYEJGNIEQEN-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000419234946 246071787 /nfs/dbraw/zinc/07/17/87/246071787.db2.gz YEXFZEFTHKXXMI-JFIYKMOQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317839 246097738 /nfs/dbraw/zinc/09/77/38/246097738.db2.gz NESUVVKSLSBHEQ-OYYDLILQSA-N 2 0 374.460 0.820 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329484 246101154 /nfs/dbraw/zinc/10/11/54/246101154.db2.gz GJYVIBDYPFAKLL-BVPBIZIASA-N 2 0 356.470 0.539 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369450 246119834 /nfs/dbraw/zinc/11/98/34/246119834.db2.gz HTQYHXAFNIRJAZ-QZTJIDSGSA-N 2 0 360.502 0.876 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419367174 246120244 /nfs/dbraw/zinc/12/02/44/246120244.db2.gz CUYOQIXNOVJFHS-JKSUJKDBSA-N 2 0 354.495 0.045 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000419377785 246125159 /nfs/dbraw/zinc/12/51/59/246125159.db2.gz USMQFJNQRSHYNU-UHFFFAOYSA-N 2 0 372.513 0.660 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000419386668 246126488 /nfs/dbraw/zinc/12/64/88/246126488.db2.gz BVYLCXDCNGCXNM-HZPDHXFCSA-N 2 0 362.499 0.280 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000419360267 246116462 /nfs/dbraw/zinc/11/64/62/246116462.db2.gz SCNLAMFSIVWXGH-RDJZCZTQSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000419412162 246146982 /nfs/dbraw/zinc/14/69/82/246146982.db2.gz QSVXKYDLVJIPJL-WQVCFCJDSA-N 2 0 350.438 0.740 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000419412618 246147491 /nfs/dbraw/zinc/14/74/91/246147491.db2.gz RBBZYNOUMGTNBY-HZPDHXFCSA-N 2 0 350.438 0.884 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419414562 246148225 /nfs/dbraw/zinc/14/82/25/246148225.db2.gz SZUAWGFGZPLBKN-XJKSGUPXSA-N 2 0 350.438 0.613 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419415787 246149966 /nfs/dbraw/zinc/14/99/66/246149966.db2.gz GNVATMQLMRUJFD-MSOLQXFVSA-N 2 0 358.486 0.937 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404619 246138621 /nfs/dbraw/zinc/13/86/21/246138621.db2.gz UDVDWCZNGREINA-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419407172 246139558 /nfs/dbraw/zinc/13/95/58/246139558.db2.gz JUCJBBDGOIOEAC-DUVNUKRYSA-N 2 0 350.438 0.740 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419407819 246141428 /nfs/dbraw/zinc/14/14/28/246141428.db2.gz LEIRFSBJEVZSFM-IBGZPJMESA-N 2 0 370.497 0.975 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419408506 246142156 /nfs/dbraw/zinc/14/21/56/246142156.db2.gz LXWLXZDAFYEEPC-VVLHAWIVSA-N 2 0 350.507 0.539 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419411036 246145603 /nfs/dbraw/zinc/14/56/03/246145603.db2.gz PSVGIDHKWOSPMY-OAHLLOKOSA-N 2 0 352.454 0.988 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419420894 246154997 /nfs/dbraw/zinc/15/49/97/246154997.db2.gz NWURGYWHBNQZGO-UHFFFAOYSA-N 2 0 361.490 0.168 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000419425574 246157212 /nfs/dbraw/zinc/15/72/12/246157212.db2.gz WAAZAGVTZKCRHQ-GOSISDBHSA-N 2 0 373.501 0.168 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419504504 246183229 /nfs/dbraw/zinc/18/32/29/246183229.db2.gz GSYLDPSFLYTAJQ-OTWHNJEPSA-N 2 0 370.497 0.693 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419525836 246193489 /nfs/dbraw/zinc/19/34/89/246193489.db2.gz DPCYWXISFBMLPW-RYQLBKOJSA-N 2 0 358.486 0.834 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419479849 246179270 /nfs/dbraw/zinc/17/92/70/246179270.db2.gz MAJLVARFLGGUAA-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419536236 246194584 /nfs/dbraw/zinc/19/45/84/246194584.db2.gz UIXQWYZSURTOFZ-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419532193 246194729 /nfs/dbraw/zinc/19/47/29/246194729.db2.gz MSHXZVIGIFNCIQ-BPQIPLTHSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534578 246195091 /nfs/dbraw/zinc/19/50/91/246195091.db2.gz QMRWYJUTMFIDJZ-MAUKXSAKSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419535432 246195956 /nfs/dbraw/zinc/19/59/56/246195956.db2.gz RYHLJDFGCPZNAJ-WRWLIDTKSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419539283 246198385 /nfs/dbraw/zinc/19/83/85/246198385.db2.gz YJBJFKFMNVCITI-XYVMCAHJSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419659551 246233522 /nfs/dbraw/zinc/23/35/22/246233522.db2.gz AGNIEISSXRYOJL-GJZGRUSLSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419659553 246233749 /nfs/dbraw/zinc/23/37/49/246233749.db2.gz AGNIEISSXRYOJL-LSDHHAIUSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)CN)CC[N@@H+]1Cc1ccccc1 ZINC000419654517 246230435 /nfs/dbraw/zinc/23/04/35/246230435.db2.gz GRAIMEJUHMLXJK-DZGCQCFKSA-N 2 0 368.428 0.866 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419652361 246231719 /nfs/dbraw/zinc/23/17/19/246231719.db2.gz DXFRZWBRIKQSBF-CQSZACIVSA-N 2 0 350.463 0.091 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419717849 246268322 /nfs/dbraw/zinc/26/83/22/246268322.db2.gz VHPAKOUJRTWIMB-BZUAXINKSA-N 2 0 354.495 0.332 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419670124 246239017 /nfs/dbraw/zinc/23/90/17/246239017.db2.gz FRFBMMFHVQLSAW-OAGGEKHMSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419677938 246243292 /nfs/dbraw/zinc/24/32/92/246243292.db2.gz DDURTXMGVGUXPP-INIZCTEOSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419723099 246269858 /nfs/dbraw/zinc/26/98/58/246269858.db2.gz NMFVDQQYJJPXSG-JKSUJKDBSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419687325 246250675 /nfs/dbraw/zinc/25/06/75/246250675.db2.gz DOLLNDBWDZSIMX-LSDHHAIUSA-N 2 0 368.547 0.660 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419693577 246255552 /nfs/dbraw/zinc/25/55/52/246255552.db2.gz NRQFWGJGDRWIBO-HUUCEWRRSA-N 2 0 368.547 0.660 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419701911 246260066 /nfs/dbraw/zinc/26/00/66/246260066.db2.gz BLDPJDWPTXOPBM-CWLKWCNXSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000419709672 246264439 /nfs/dbraw/zinc/26/44/39/246264439.db2.gz HQGZXLHAJBAWPK-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419714391 246264891 /nfs/dbraw/zinc/26/48/91/246264891.db2.gz XUQAXFWAERWFCZ-RDJZCZTQSA-N 2 0 358.486 0.976 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CCCC2)CC1 ZINC000419750158 246282034 /nfs/dbraw/zinc/28/20/34/246282034.db2.gz ILBXSHPLVAALFA-HNNXBMFYSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754158 246284680 /nfs/dbraw/zinc/28/46/80/246284680.db2.gz BQGOPUPJBBOBMK-XJKSGUPXSA-N 2 0 350.438 0.630 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419757787 246286261 /nfs/dbraw/zinc/28/62/61/246286261.db2.gz DCZVMSZNVOINJK-QZTJIDSGSA-N 2 0 358.486 0.867 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000419756363 246286551 /nfs/dbraw/zinc/28/65/51/246286551.db2.gz AURHBDYBYVSEFW-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755720 246287006 /nfs/dbraw/zinc/28/70/06/246287006.db2.gz DVJOEAPUWXSLJP-GDBMZVCRSA-N 2 0 350.438 0.617 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419760352 246289558 /nfs/dbraw/zinc/28/95/58/246289558.db2.gz NQMSECSYGRDKJF-MRXNPFEDSA-N 2 0 364.465 0.832 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419766240 246290290 /nfs/dbraw/zinc/29/02/90/246290290.db2.gz RLHKJNDEYHSYKG-YJBOKZPZSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419769097 246291119 /nfs/dbraw/zinc/29/11/19/246291119.db2.gz DACMQGRNUVCVIX-MELADBBJSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000419766912 246291691 /nfs/dbraw/zinc/29/16/91/246291691.db2.gz ZMEVKWAAOBOXNC-HOCLYGCPSA-N 2 0 364.465 0.817 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419771727 246291973 /nfs/dbraw/zinc/29/19/73/246291973.db2.gz GUPAWHNDWKQYOV-INIZCTEOSA-N 2 0 350.507 0.871 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814108 246303290 /nfs/dbraw/zinc/30/32/90/246303290.db2.gz KFNBIKBZIQPHTQ-WMZOPIPTSA-N 2 0 374.485 0.898 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCCCC1 ZINC000419823829 246307325 /nfs/dbraw/zinc/30/73/25/246307325.db2.gz QAEBNPJSVKAPCE-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000419824083 246308147 /nfs/dbraw/zinc/30/81/47/246308147.db2.gz YRGWHMGSGFUTKS-GVDBMIGSSA-N 2 0 362.474 0.370 20 0 FCADRP CCN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419837753 246312421 /nfs/dbraw/zinc/31/24/21/246312421.db2.gz DMQJVHGSJVPLQX-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCCC1 ZINC000419840787 246314110 /nfs/dbraw/zinc/31/41/10/246314110.db2.gz ZLUQOIFZKPCVFU-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846403 246318401 /nfs/dbraw/zinc/31/84/01/246318401.db2.gz RPMQZIVBTYFHAG-OAHLLOKOSA-N 2 0 368.428 0.723 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000419851304 246321711 /nfs/dbraw/zinc/32/17/11/246321711.db2.gz NWKPEUFVSWGCHJ-UHFFFAOYSA-N 2 0 354.882 0.956 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419854434 246323370 /nfs/dbraw/zinc/32/33/70/246323370.db2.gz GNFRTOKXVWTXQH-GBESFXJTSA-N 2 0 370.497 0.693 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419859209 246328827 /nfs/dbraw/zinc/32/88/27/246328827.db2.gz JHDTYPSEHHBQNM-CPUCHLNUSA-N 2 0 366.506 0.188 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419872784 246341994 /nfs/dbraw/zinc/34/19/94/246341994.db2.gz FKGSOHFPCHWHDM-NJAFHUGGSA-N 2 0 358.486 0.976 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000419861203 246330502 /nfs/dbraw/zinc/33/05/02/246330502.db2.gz DSQPTGHGFOXJOY-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861139 246331223 /nfs/dbraw/zinc/33/12/23/246331223.db2.gz DQJUNGWLCKQNKM-INIZCTEOSA-N 2 0 367.538 0.025 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419864747 246332713 /nfs/dbraw/zinc/33/27/13/246332713.db2.gz GBJHPGKLACVZIQ-OWCLPIDISA-N 2 0 354.495 0.332 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000419865550 246335837 /nfs/dbraw/zinc/33/58/37/246335837.db2.gz PKWHMPVERFCWBT-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419915615 246366029 /nfs/dbraw/zinc/36/60/29/246366029.db2.gz XYPQNPFIEACXLU-ZOBUZTSGSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923238 246371664 /nfs/dbraw/zinc/37/16/64/246371664.db2.gz GHDSKTZZVZVMEI-CRAIPNDOSA-N 2 0 374.485 0.514 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419879201 246345111 /nfs/dbraw/zinc/34/51/11/246345111.db2.gz RFCOLOASIDHTRH-IAGOWNOFSA-N 2 0 374.485 0.726 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419882993 246347234 /nfs/dbraw/zinc/34/72/34/246347234.db2.gz CXEGUTUQTATEIR-WMZOPIPTSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419884249 246350596 /nfs/dbraw/zinc/35/05/96/246350596.db2.gz FUFCAELUPWBQJY-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419888607 246351614 /nfs/dbraw/zinc/35/16/14/246351614.db2.gz RESOBOCVXYAROV-SFHVURJKSA-N 2 0 370.497 0.979 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887489 246352876 /nfs/dbraw/zinc/35/28/76/246352876.db2.gz FALJADSATDIWCT-ZSYWTGECSA-N 2 0 370.497 0.963 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419888837 246353035 /nfs/dbraw/zinc/35/30/35/246353035.db2.gz GDOCYAGXRNFXJS-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419890338 246355123 /nfs/dbraw/zinc/35/51/23/246355123.db2.gz MDBUQEWQZWTKFS-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)CC1 ZINC000419895116 246356881 /nfs/dbraw/zinc/35/68/81/246356881.db2.gz OPONFHKDDLYHMV-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419899889 246360558 /nfs/dbraw/zinc/36/05/58/246360558.db2.gz ZSFRYJOJSKSCEM-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000419953841 246385039 /nfs/dbraw/zinc/38/50/39/246385039.db2.gz LNTAOOLOJJMEDF-INIZCTEOSA-N 2 0 354.495 0.047 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419977728 246399373 /nfs/dbraw/zinc/39/93/73/246399373.db2.gz NBBFURJOSDDVFI-GJZGRUSLSA-N 2 0 354.495 0.188 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH3+])c1 ZINC000419939486 246378460 /nfs/dbraw/zinc/37/84/60/246378460.db2.gz JGIJARFVRFGEPX-CQSZACIVSA-N 2 0 350.463 0.296 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419943391 246379766 /nfs/dbraw/zinc/37/97/66/246379766.db2.gz PQHZSUOWDUJZMK-LBPRGKRZSA-N 2 0 356.417 0.566 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000420188617 246519738 /nfs/dbraw/zinc/51/97/38/246519738.db2.gz FOWCPQSNRLYKHS-CABCVRRESA-N 2 0 350.463 0.722 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423063170 246957745 /nfs/dbraw/zinc/95/77/45/246957745.db2.gz VVKZEIBWCABMOG-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C[C@@H](C)[NH2+]1 ZINC000423362878 247011837 /nfs/dbraw/zinc/01/18/37/247011837.db2.gz ILEHVTRCTBYCRE-ZIAGYGMSSA-N 2 0 352.504 0.847 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000423362443 247011883 /nfs/dbraw/zinc/01/18/83/247011883.db2.gz HTEVFACHOGQNNH-GJZGRUSLSA-N 2 0 350.463 0.756 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000423372354 247013311 /nfs/dbraw/zinc/01/33/11/247013311.db2.gz BFFMICIWZJAVJX-DOTOQJQBSA-N 2 0 368.522 0.530 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423375045 247015627 /nfs/dbraw/zinc/01/56/27/247015627.db2.gz IPUXSKPQRVHTBD-IAGOWNOFSA-N 2 0 352.523 0.772 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423424438 247023251 /nfs/dbraw/zinc/02/32/51/247023251.db2.gz FPGDLJZFXUDPBA-QAETUUGQSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000423432308 247026293 /nfs/dbraw/zinc/02/62/93/247026293.db2.gz BALCNWUYDJBIRT-GVDBMIGSSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423442252 247028563 /nfs/dbraw/zinc/02/85/63/247028563.db2.gz JTTDNWHCPYLENF-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423450452 247029544 /nfs/dbraw/zinc/02/95/44/247029544.db2.gz SZDQRJSXDDAQSZ-HDICACEKSA-N 2 0 362.518 0.779 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423466430 247032457 /nfs/dbraw/zinc/03/24/57/247032457.db2.gz CZUSXLDVYNPGSW-GBESFXJTSA-N 2 0 370.497 0.645 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423463520 247033385 /nfs/dbraw/zinc/03/33/85/247033385.db2.gz AQFPDDBPGKUITM-HDICACEKSA-N 2 0 358.486 0.645 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423489467 247034796 /nfs/dbraw/zinc/03/47/96/247034796.db2.gz XEYCZJSSVOSTLZ-KURKYZTESA-N 2 0 356.470 0.384 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423489534 247035381 /nfs/dbraw/zinc/03/53/81/247035381.db2.gz XHGVAFLSKIYWFF-KDURUIRLSA-N 2 0 370.497 0.774 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@H](C)O1 ZINC000423514861 247040487 /nfs/dbraw/zinc/04/04/87/247040487.db2.gz WYGMXVQZTFLRPC-GJZGRUSLSA-N 2 0 354.495 0.141 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423522842 247042468 /nfs/dbraw/zinc/04/24/68/247042468.db2.gz HSNTUEYFDLZHOD-MSOLQXFVSA-N 2 0 360.502 0.863 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423602162 247071307 /nfs/dbraw/zinc/07/13/07/247071307.db2.gz FHSPCORSUSDIIY-OTWHNJEPSA-N 2 0 370.497 0.917 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000423647265 247089108 /nfs/dbraw/zinc/08/91/08/247089108.db2.gz HSILIHFRTYQFJN-MVJTYMMSSA-N 2 0 373.501 0.742 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423657897 247097351 /nfs/dbraw/zinc/09/73/51/247097351.db2.gz WWKGEGPJLIJXLJ-CVEARBPZSA-N 2 0 373.501 0.965 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000423668743 247103219 /nfs/dbraw/zinc/10/32/19/247103219.db2.gz WTLYVASERNZSOI-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423701164 247116369 /nfs/dbraw/zinc/11/63/69/247116369.db2.gz WBCZNSUEOVEGFL-HOTGVXAUSA-N 2 0 355.527 0.057 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000423705371 247117844 /nfs/dbraw/zinc/11/78/44/247117844.db2.gz HIACPCAPDCBUFJ-HNNXBMFYSA-N 3 0 350.511 0.832 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423712550 247120022 /nfs/dbraw/zinc/12/00/22/247120022.db2.gz DADMMVPLRSHYHH-HNNXBMFYSA-N 2 0 354.495 0.143 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423713817 247121189 /nfs/dbraw/zinc/12/11/89/247121189.db2.gz WNJLFGWXNRQRMG-KSZLIROESA-N 2 0 356.470 0.527 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423723032 247126839 /nfs/dbraw/zinc/12/68/39/247126839.db2.gz KYDVKBOVNKGIKR-UKPHBRMFSA-N 2 0 362.449 0.631 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000424125643 247169439 /nfs/dbraw/zinc/16/94/39/247169439.db2.gz ANPSKJBPMYMWFT-KFWWJZLASA-N 2 0 350.467 0.432 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000424486960 247237096 /nfs/dbraw/zinc/23/70/96/247237096.db2.gz AIWDUZWCDGMJNW-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424497292 247241552 /nfs/dbraw/zinc/24/15/52/247241552.db2.gz WSQYZLZNKCCCFD-GBESFXJTSA-N 2 0 370.497 0.930 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000424455818 247224697 /nfs/dbraw/zinc/22/46/97/247224697.db2.gz OBEUIKAJBQKITI-UHFFFAOYSA-N 2 0 362.474 0.961 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425387853 247330326 /nfs/dbraw/zinc/33/03/26/247330326.db2.gz OARHNXOOBBLTRF-GVDBMIGSSA-N 2 0 366.506 0.108 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000425726019 247369542 /nfs/dbraw/zinc/36/95/42/247369542.db2.gz OARWLAYMVSDZEK-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443069679 248305822 /nfs/dbraw/zinc/30/58/22/248305822.db2.gz KGYBAJUMRPGTKK-ZDUSSCGKSA-N 2 0 354.476 0.723 20 0 FCADRP CNc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443522728 248330333 /nfs/dbraw/zinc/33/03/33/248330333.db2.gz MUWDGQXAERAMBN-ZQDZILKHSA-N 2 0 362.526 0.393 20 0 FCADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCN(C)CC1 ZINC000446376748 248388370 /nfs/dbraw/zinc/38/83/70/248388370.db2.gz LPQFTAKOLZLPOR-YKTARERQSA-N 2 0 352.523 0.519 20 0 FCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453730323 249361644 /nfs/dbraw/zinc/36/16/44/249361644.db2.gz BIYLXQQDMAHCCI-KRWDZBQOSA-N 2 0 362.474 0.916 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000271124630 211340111 /nfs/dbraw/zinc/34/01/11/211340111.db2.gz KAAHQXHSOASCMM-SFHVURJKSA-N 2 0 364.490 0.385 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270676685 211245873 /nfs/dbraw/zinc/24/58/73/211245873.db2.gz PNRXMMBSWPASGV-UHFFFAOYSA-N 2 0 367.494 0.742 20 0 FCADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC000469962758 250014485 /nfs/dbraw/zinc/01/44/85/250014485.db2.gz FPJILMPXZVAKFD-KRWDZBQOSA-N 2 0 352.523 0.927 20 0 FCADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCOCC2 ZINC000469783019 250003898 /nfs/dbraw/zinc/00/38/98/250003898.db2.gz IQTXKOWGRWPVLY-MOPGFXCFSA-N 2 0 369.550 0.940 20 0 FCADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCOCC2 ZINC000469783020 250004105 /nfs/dbraw/zinc/00/41/05/250004105.db2.gz IQTXKOWGRWPVLY-OALUTQOASA-N 2 0 369.550 0.940 20 0 FCADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000470453915 250044656 /nfs/dbraw/zinc/04/46/56/250044656.db2.gz XZEBNWNQOADWLB-UHFFFAOYSA-N 2 0 361.446 0.515 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275863 250143362 /nfs/dbraw/zinc/14/33/62/250143362.db2.gz KDAPLHUOLAJDAJ-ROUUACIJSA-N 2 0 354.539 0.972 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000472172574 250136053 /nfs/dbraw/zinc/13/60/53/250136053.db2.gz OJAOKJIIYDNBTP-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278675 250142335 /nfs/dbraw/zinc/14/23/35/250142335.db2.gz OEFIPUOMKQLQFP-AEFFLSMTSA-N 2 0 368.522 0.498 20 0 FCADRP COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000473191165 250205906 /nfs/dbraw/zinc/20/59/06/250205906.db2.gz AYOBSFONCUXBPK-UHFFFAOYSA-N 2 0 355.439 0.242 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481772689 250356525 /nfs/dbraw/zinc/35/65/25/250356525.db2.gz BNMSLEXOYDAWBR-DOTOQJQBSA-N 2 0 358.552 0.816 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783772 250358681 /nfs/dbraw/zinc/35/86/81/250358681.db2.gz RWICOSOBYAVOGY-FUHWJXTLSA-N 2 0 369.579 0.845 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539414 250340780 /nfs/dbraw/zinc/34/07/80/250340780.db2.gz JFARQSHCAXNGIQ-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP NC(=O)C[C@@H](N)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000269683404 211043580 /nfs/dbraw/zinc/04/35/80/211043580.db2.gz IQMVVRNEVHJANB-OAHLLOKOSA-N 2 0 367.881 0.171 20 0 FCADRP Cc1cc(O)cc(=O)n1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000267885547 210658897 /nfs/dbraw/zinc/65/88/97/210658897.db2.gz YRHCMWMEMHZMGC-UHFFFAOYSA-N 2 0 352.479 0.594 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000377763070 532978948 /nfs/dbraw/zinc/97/89/48/532978948.db2.gz RIRMYZAPERKAOI-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000073399893 208047374 /nfs/dbraw/zinc/04/73/74/208047374.db2.gz MQZNXBDEFNXVOU-ZIAGYGMSSA-N 2 0 352.504 0.877 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000074223541 208054947 /nfs/dbraw/zinc/05/49/47/208054947.db2.gz KNTWESDQFCQLED-INIZCTEOSA-N 2 0 373.501 0.572 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119482315 208362134 /nfs/dbraw/zinc/36/21/34/208362134.db2.gz ZYJSLNIIZDUXBO-KTFSGNIMSA-N 2 0 363.506 0.606 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266722824 210391106 /nfs/dbraw/zinc/39/11/06/210391106.db2.gz ZTVJPWADIMVXCK-CYBMUJFWSA-N 2 0 358.402 0.043 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000131876217 208661232 /nfs/dbraw/zinc/66/12/32/208661232.db2.gz ZDUZEYQNKRFMIG-LJQANCHMSA-N 2 0 364.490 0.896 20 0 FCADRP COC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000178871709 209062847 /nfs/dbraw/zinc/06/28/47/209062847.db2.gz BXCCUQUSKYZQSC-UHFFFAOYSA-N 2 0 360.502 0.689 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178884473 209063760 /nfs/dbraw/zinc/06/37/60/209063760.db2.gz XUOKANIXMBWKKI-HOTGVXAUSA-N 2 0 358.552 0.320 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+](C)C1 ZINC000413447660 533477925 /nfs/dbraw/zinc/47/79/25/533477925.db2.gz DGQMZTVMLCGCGW-HNNXBMFYSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+](C)C1 ZINC000413111989 533480146 /nfs/dbraw/zinc/48/01/46/533480146.db2.gz UXKHBBDJUMATRA-SFHVURJKSA-N 2 0 374.485 0.791 20 0 FCADRP C(C[NH+]1CC[C@H](C2OCCO2)C1)OCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932002890 674161403 /nfs/dbraw/zinc/16/14/03/674161403.db2.gz KMSHQXLHSDRJLM-HOTGVXAUSA-N 2 0 356.463 0.393 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000173921743 229211724 /nfs/dbraw/zinc/21/17/24/229211724.db2.gz KAYJPTYMTGGTGG-OAHLLOKOSA-N 2 0 352.483 0.803 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410436944 230079791 /nfs/dbraw/zinc/07/97/91/230079791.db2.gz RXUFOWMICSEOCL-DLBZAZTESA-N 2 0 364.490 0.028 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000410472924 230093545 /nfs/dbraw/zinc/09/35/45/230093545.db2.gz STSYEIAJFLVTEV-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000933841464 674276277 /nfs/dbraw/zinc/27/62/77/674276277.db2.gz HQZXZKSDGQKSAN-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000363770194 488883251 /nfs/dbraw/zinc/88/32/51/488883251.db2.gz AGFSKFHPHYOFOC-INIZCTEOSA-N 2 0 373.563 0.933 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000562800573 491189545 /nfs/dbraw/zinc/18/95/45/491189545.db2.gz GEHIDJROOQQTGP-MRXNPFEDSA-N 2 0 369.579 0.941 20 0 FCADRP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O ZINC000327429161 488919669 /nfs/dbraw/zinc/91/96/69/488919669.db2.gz OBQNDUMBLHSFOY-UHFFFAOYSA-N 2 0 370.881 0.550 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283027 488943862 /nfs/dbraw/zinc/94/38/62/488943862.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 2 0 367.538 0.517 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000562815623 491191667 /nfs/dbraw/zinc/19/16/67/491191667.db2.gz DNRAHZXJOIZLOO-KBPBESRZSA-N 2 0 365.444 0.804 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CSCC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000067045136 488342608 /nfs/dbraw/zinc/34/26/08/488342608.db2.gz AOYFCJKAYODWIY-HZPDHXFCSA-N 2 0 370.563 0.825 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069858388 488374186 /nfs/dbraw/zinc/37/41/86/488374186.db2.gz OGFVCTAYQHEFRO-QGZVFWFLSA-N 2 0 352.523 0.631 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCOCC1 ZINC000073236378 488384285 /nfs/dbraw/zinc/38/42/85/488384285.db2.gz UBBMAVBQUALATA-UHFFFAOYSA-N 2 0 368.522 0.851 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000073428050 488384572 /nfs/dbraw/zinc/38/45/72/488384572.db2.gz RIAAUWVSEODEHS-QGZVFWFLSA-N 2 0 374.485 0.457 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667260 488385828 /nfs/dbraw/zinc/38/58/28/488385828.db2.gz UJCVBHTUAMTGRM-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345476 488391122 /nfs/dbraw/zinc/39/11/22/488391122.db2.gz BOSFBGXLJZWGTA-HOTGVXAUSA-N 2 0 353.511 0.605 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345212 488391155 /nfs/dbraw/zinc/39/11/55/488391155.db2.gz LGJSFKMICFJRAE-INIZCTEOSA-N 2 0 353.511 0.557 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000074345136 488391226 /nfs/dbraw/zinc/39/12/26/488391226.db2.gz DRQZALAAITYSKJ-MRXNPFEDSA-N 2 0 353.511 0.749 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185732719 488402573 /nfs/dbraw/zinc/40/25/73/488402573.db2.gz NHHCIPGTVBRCQI-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186666934 488407693 /nfs/dbraw/zinc/40/76/93/488407693.db2.gz YWUMWCCCVXWSNX-HNNXBMFYSA-N 2 0 364.494 0.764 20 0 FCADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000077176362 488408768 /nfs/dbraw/zinc/40/87/68/488408768.db2.gz VLGVXBRXCCLSKV-ZHALLVOQSA-N 2 0 355.523 0.501 20 0 FCADRP CC(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000077760803 488417335 /nfs/dbraw/zinc/41/73/35/488417335.db2.gz NETRBPCZPLLOHD-INIZCTEOSA-N 2 0 355.527 0.014 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554342756 491196802 /nfs/dbraw/zinc/19/68/02/491196802.db2.gz DHRXFXLXBOXPDW-WBVHZDCISA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000077822248 488418085 /nfs/dbraw/zinc/41/80/85/488418085.db2.gz BVDCLDKRUMAPNF-UHFFFAOYSA-N 3 0 369.554 0.766 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000077840381 488418726 /nfs/dbraw/zinc/41/87/26/488418726.db2.gz SEQUZZNIIRHMAJ-MRXNPFEDSA-N 2 0 350.463 0.506 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000078030966 488419766 /nfs/dbraw/zinc/41/97/66/488419766.db2.gz UHQAOPFWNSYENM-QZTJIDSGSA-N 2 0 373.501 0.573 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000562865042 491197423 /nfs/dbraw/zinc/19/74/23/491197423.db2.gz BYXFXUKCFQMLAG-HOCLYGCPSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000079124913 488427401 /nfs/dbraw/zinc/42/74/01/488427401.db2.gz MZQPIZAKUQCCHX-UHFFFAOYSA-N 2 0 360.506 0.939 20 0 FCADRP COc1ccc([C@H](CNC(=O)CN2CCNCC2=O)[NH+]2CCCCC2)cc1 ZINC000237324710 488454952 /nfs/dbraw/zinc/45/49/52/488454952.db2.gz GHROGGWEHOXGGV-SFHVURJKSA-N 2 0 374.485 0.770 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000246347874 488472134 /nfs/dbraw/zinc/47/21/34/488472134.db2.gz FJFKLDAFIHBWGS-ZWKOTPCHSA-N 2 0 370.538 0.689 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269239750 488481282 /nfs/dbraw/zinc/48/12/82/488481282.db2.gz AQMKRBPQMKEUSQ-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047772 488497584 /nfs/dbraw/zinc/49/75/84/488497584.db2.gz KAQMWNAKTJDUFE-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000103212277 488499911 /nfs/dbraw/zinc/49/99/11/488499911.db2.gz XJVXGNYIIFTNHE-UHFFFAOYSA-N 2 0 367.538 0.866 20 0 FCADRP C[C@H]1Oc2ccccc2N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000103210809 488500001 /nfs/dbraw/zinc/50/00/01/488500001.db2.gz IXCOMDRNFOPXLN-OAHLLOKOSA-N 2 0 362.474 0.752 20 0 FCADRP CCn1c2ccccc2n(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000103211168 488500264 /nfs/dbraw/zinc/50/02/64/488500264.db2.gz HIMDLZAEIKWUAL-UHFFFAOYSA-N 2 0 361.490 0.775 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922268 491203168 /nfs/dbraw/zinc/20/31/68/491203168.db2.gz FMAIJCMRMYIFDP-IRXDYDNUSA-N 2 0 356.474 0.933 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000569919183 491203361 /nfs/dbraw/zinc/20/33/61/491203361.db2.gz OIFMFOZIYXXGIT-KRWDZBQOSA-N 2 0 350.507 0.908 20 0 FCADRP CC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104788524 488505969 /nfs/dbraw/zinc/50/59/69/488505969.db2.gz GQQFBGPINRKKLV-INIZCTEOSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000249118516 488506839 /nfs/dbraw/zinc/50/68/39/488506839.db2.gz OSYLIRRXZMFLOJ-DLBZAZTESA-N 2 0 369.554 0.357 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223169 488507731 /nfs/dbraw/zinc/50/77/31/488507731.db2.gz PSZISRSAHOLJKO-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105233565 488509031 /nfs/dbraw/zinc/50/90/31/488509031.db2.gz PKMAPBWMFYUORC-HDICACEKSA-N 2 0 369.554 0.765 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1 ZINC000569926676 491203906 /nfs/dbraw/zinc/20/39/06/491203906.db2.gz PILUMXHKOASGJU-IAGOWNOFSA-N 2 0 363.506 0.465 20 0 FCADRP C[NH+]1CCC(CNC(=O)CSCC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000105598162 488509520 /nfs/dbraw/zinc/50/95/20/488509520.db2.gz YJEFXWGOZJGOJF-UHFFFAOYSA-N 2 0 370.563 0.636 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cncn2C)c1 ZINC000106246458 488512889 /nfs/dbraw/zinc/51/28/89/488512889.db2.gz USDOUMSLYBNMPJ-NSHDSACASA-N 2 0 351.432 0.445 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C/C=C\CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000255669504 488522924 /nfs/dbraw/zinc/52/29/24/488522924.db2.gz XJGRLYYRSWIRDB-WAYWQWQTSA-N 2 0 368.566 0.320 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261640858 488528462 /nfs/dbraw/zinc/52/84/62/488528462.db2.gz DMQVPNYMZZKXIM-MOPGFXCFSA-N 2 0 360.502 0.947 20 0 FCADRP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261687036 488530722 /nfs/dbraw/zinc/53/07/22/488530722.db2.gz CYJRSVFWLVRKLS-LSDHHAIUSA-N 2 0 363.462 0.892 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000261698007 488531555 /nfs/dbraw/zinc/53/15/55/488531555.db2.gz FIUCYSIXAWLADX-VQHPVUNQSA-N 2 0 350.507 0.905 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112747711 488536495 /nfs/dbraw/zinc/53/64/95/488536495.db2.gz YQVXXNOAJQDXMC-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261835647 488538117 /nfs/dbraw/zinc/53/81/17/488538117.db2.gz LEJPNCLQMVXTKP-GJZGRUSLSA-N 2 0 352.504 0.798 20 0 FCADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000271688641 488538427 /nfs/dbraw/zinc/53/84/27/488538427.db2.gz JWEYLSQLBJRGTN-KRWDZBQOSA-N 2 0 365.499 0.741 20 0 FCADRP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540368 /nfs/dbraw/zinc/54/03/68/488540368.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 2 0 356.511 0.448 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261896048 488540580 /nfs/dbraw/zinc/54/05/80/488540580.db2.gz RBWOGUPKAQUKKS-SOUVJXGZSA-N 2 0 367.494 0.189 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1)Cc1ccccc1 ZINC000261892538 488540655 /nfs/dbraw/zinc/54/06/55/488540655.db2.gz VQLRCFXUHXBQQU-MOPGFXCFSA-N 2 0 360.502 0.769 20 0 FCADRP C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000261998391 488544835 /nfs/dbraw/zinc/54/48/35/488544835.db2.gz ZMHGEYNNJXDKBY-DUVNUKRYSA-N 2 0 350.438 0.478 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000118880863 488554717 /nfs/dbraw/zinc/55/47/17/488554717.db2.gz HJPIHTGQUBXOLD-YYIAUSFCSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262269855 488560417 /nfs/dbraw/zinc/56/04/17/488560417.db2.gz SGOHHUOFNZCBPC-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000262274173 488560795 /nfs/dbraw/zinc/56/07/95/488560795.db2.gz YRGTUPPUHFRWSK-IRXDYDNUSA-N 3 0 352.523 0.630 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262318829 488563987 /nfs/dbraw/zinc/56/39/87/488563987.db2.gz BXKOAZOOCPBSEX-UHFFFAOYSA-N 2 0 360.487 0.721 20 0 FCADRP COC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262324897 488564248 /nfs/dbraw/zinc/56/42/48/488564248.db2.gz QWQLPLDPECBKGV-HNNXBMFYSA-N 2 0 350.463 0.249 20 0 FCADRP COC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000262343534 488565124 /nfs/dbraw/zinc/56/51/24/488565124.db2.gz SZAOKNGBNXYPHO-IAGOWNOFSA-N 2 0 361.490 0.416 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262367985 488566474 /nfs/dbraw/zinc/56/64/74/488566474.db2.gz IBHLLMNLWVLINL-UHFFFAOYSA-N 2 0 352.866 0.743 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000262598833 488580079 /nfs/dbraw/zinc/58/00/79/488580079.db2.gz WNYZKFKZTYEFNH-YLFCFFPRSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000262678294 488586009 /nfs/dbraw/zinc/58/60/09/488586009.db2.gz UNQOUAPSXLMMQL-KSSFIOAISA-N 2 0 372.473 0.836 20 0 FCADRP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000262677778 488586139 /nfs/dbraw/zinc/58/61/39/488586139.db2.gz UNQOUAPSXLMMQL-KDOFPFPSSA-N 2 0 372.473 0.836 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CC1=O ZINC000262791098 488593811 /nfs/dbraw/zinc/59/38/11/488593811.db2.gz NHAVLNAEYWRFTC-CYBMUJFWSA-N 2 0 371.445 0.279 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCN(C)CC1 ZINC000262889326 488598164 /nfs/dbraw/zinc/59/81/64/488598164.db2.gz ZZSSDYKYTGSAQT-SJLPKXTDSA-N 2 0 362.522 0.809 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263265342 488608489 /nfs/dbraw/zinc/60/84/89/488608489.db2.gz UZJWCOOIGUPXFP-RKVPGOIHSA-N 2 0 368.522 0.434 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000563064027 491211965 /nfs/dbraw/zinc/21/19/65/491211965.db2.gz OGKTVLKSIAWSBR-MRXNPFEDSA-N 2 0 364.515 0.945 20 0 FCADRP COC[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000563064041 491212120 /nfs/dbraw/zinc/21/21/20/491212120.db2.gz OTIDEGCZWOACBP-LJQANCHMSA-N 3 0 361.490 0.336 20 0 FCADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000127596800 488618796 /nfs/dbraw/zinc/61/87/96/488618796.db2.gz ICXOCOPMYQHMKA-CABCVRRESA-N 2 0 354.520 0.881 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000563077642 491213380 /nfs/dbraw/zinc/21/33/80/491213380.db2.gz LUNCITXXKBWKHI-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](CO[C@@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000131203318 488643607 /nfs/dbraw/zinc/64/36/07/488643607.db2.gz ZRBUSBCXBBTEEJ-DOTOQJQBSA-N 2 0 356.511 0.848 20 0 FCADRP CN(C(=O)C[C@H]1CSCC[NH2+]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000134031047 488663891 /nfs/dbraw/zinc/66/38/91/488663891.db2.gz JITYLXSYQDKQRW-HNNXBMFYSA-N 2 0 351.520 0.901 20 0 FCADRP C[N@H+](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000134105598 488664231 /nfs/dbraw/zinc/66/42/31/488664231.db2.gz VXRNCLOGQNTSKP-HNNXBMFYSA-N 2 0 354.520 0.190 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136814236 488678878 /nfs/dbraw/zinc/67/88/78/488678878.db2.gz CREOUGUWXQBFIM-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136814332 488679335 /nfs/dbraw/zinc/67/93/35/488679335.db2.gz CREOUGUWXQBFIM-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136835281 488679375 /nfs/dbraw/zinc/67/93/75/488679375.db2.gz PGJBLPJAFQMJMO-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP CN(CC[NH+](C)C)C(=O)Cc1ccc(CC(=O)N(C)CC[NH+](C)C)cc1 ZINC000274057186 488681400 /nfs/dbraw/zinc/68/14/00/488681400.db2.gz KKMAVGGZZCRGSD-UHFFFAOYSA-N 2 0 362.518 0.812 20 0 FCADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)Cc1ccccc1 ZINC000264666133 488696424 /nfs/dbraw/zinc/69/64/24/488696424.db2.gz ZOXUNYFXJBGKOF-KRWDZBQOSA-N 2 0 361.490 0.757 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000264717310 488702631 /nfs/dbraw/zinc/70/26/31/488702631.db2.gz KHVCNRKYZKWXAA-KRWDZBQOSA-N 2 0 363.506 0.672 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000264766719 488709300 /nfs/dbraw/zinc/70/93/00/488709300.db2.gz VBVGYTCAAHOXLP-KRWDZBQOSA-N 2 0 363.506 0.672 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2)CC1 ZINC000274510845 488715462 /nfs/dbraw/zinc/71/54/62/488715462.db2.gz LHEDAEIIEOMXCZ-OAHLLOKOSA-N 2 0 361.490 0.833 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1cccnc1 ZINC000264834775 488717503 /nfs/dbraw/zinc/71/75/03/488717503.db2.gz JUVWMTOQRNKOQJ-GOSISDBHSA-N 2 0 355.442 0.839 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000153574565 488732532 /nfs/dbraw/zinc/73/25/32/488732532.db2.gz UWIWLOYLNZINDA-OAHLLOKOSA-N 2 0 362.478 0.328 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154529800 488744080 /nfs/dbraw/zinc/74/40/80/488744080.db2.gz QQKFMQQFPRHUBZ-JYJNAYRXSA-N 2 0 354.495 0.155 20 0 FCADRP Cc1c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000164287016 488810203 /nfs/dbraw/zinc/81/02/03/488810203.db2.gz LBMVWLOCZQGXSM-KBPBESRZSA-N 2 0 364.494 0.740 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000164917527 488810842 /nfs/dbraw/zinc/81/08/42/488810842.db2.gz KOXKWTWCXGUHGI-IRXDYDNUSA-N 2 0 365.522 0.666 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000167702314 488812159 /nfs/dbraw/zinc/81/21/59/488812159.db2.gz VFMHTPHJZKJZJE-IBGZPJMESA-N 2 0 360.502 0.641 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000171658086 488825556 /nfs/dbraw/zinc/82/55/56/488825556.db2.gz UULMCYPSYOLPTR-UHFFFAOYSA-N 2 0 357.458 0.584 20 0 FCADRP CNC(=O)NC(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000171700665 488826155 /nfs/dbraw/zinc/82/61/55/488826155.db2.gz HADDYSSEHMICHA-UHFFFAOYSA-N 2 0 361.490 0.582 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000267935667 488829820 /nfs/dbraw/zinc/82/98/20/488829820.db2.gz AVYTYFJWAARVJH-UHFFFAOYSA-N 2 0 353.467 0.794 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000172809971 488838396 /nfs/dbraw/zinc/83/83/96/488838396.db2.gz LKDBPBZWURWPCY-SFHVURJKSA-N 2 0 374.533 0.346 20 0 FCADRP CCn1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000268129012 488841413 /nfs/dbraw/zinc/84/14/13/488841413.db2.gz KPJPSUUTTXXMRP-UHFFFAOYSA-N 2 0 352.483 0.574 20 0 FCADRP NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173954830 488846475 /nfs/dbraw/zinc/84/64/75/488846475.db2.gz HWCJKSAPRDYMFG-MRXNPFEDSA-N 2 0 366.506 0.287 20 0 FCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173950438 488846489 /nfs/dbraw/zinc/84/64/89/488846489.db2.gz XKTQPGXUVASKEX-UHFFFAOYSA-N 2 0 366.506 0.254 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176273717 488858009 /nfs/dbraw/zinc/85/80/09/488858009.db2.gz PSDQUDRYGUSPQW-UHFFFAOYSA-N 2 0 354.495 0.603 20 0 FCADRP CCN(C(=O)[C@H](C)N(C)CCCn1ccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000181076015 488863057 /nfs/dbraw/zinc/86/30/57/488863057.db2.gz KXTFYJHTWBPGBS-GJZGRUSLSA-N 2 0 356.492 0.629 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000364670981 488984355 /nfs/dbraw/zinc/98/43/55/488984355.db2.gz GNVBOWJEOIFGND-UXHICEINSA-N 2 0 372.513 0.649 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364787385 489002405 /nfs/dbraw/zinc/00/24/05/489002405.db2.gz BWIOZTWMCGEHNE-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CC[C@@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)O1 ZINC000330074207 489066571 /nfs/dbraw/zinc/06/65/71/489066571.db2.gz FOBQWMPCKWPBII-RDJZCZTQSA-N 2 0 366.506 0.251 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000289696764 489087523 /nfs/dbraw/zinc/08/75/23/489087523.db2.gz FEJNKNVYGVJWPO-QGZVFWFLSA-N 2 0 362.474 0.595 20 0 FCADRP COC(=O)[C@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000366032006 489136808 /nfs/dbraw/zinc/13/68/08/489136808.db2.gz ZEPYIKPYNUWBKS-QZTJIDSGSA-N 2 0 356.463 0.773 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)Cc1ccc(F)cc1 ZINC000563300662 491235851 /nfs/dbraw/zinc/23/58/51/491235851.db2.gz BWSBBZIICRKDEI-UHFFFAOYSA-N 2 0 364.465 0.961 20 0 FCADRP CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)nc1C ZINC000331264886 489191856 /nfs/dbraw/zinc/19/18/56/489191856.db2.gz BCVVVWKMRDULQK-UHFFFAOYSA-N 2 0 357.524 0.858 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350830 491238655 /nfs/dbraw/zinc/23/86/55/491238655.db2.gz RJVNTTAXLNVQKY-KRWDZBQOSA-N 2 0 356.555 0.715 20 0 FCADRP CN1CCN(C(=O)c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2)CC1 ZINC000555136357 491239598 /nfs/dbraw/zinc/23/95/98/491239598.db2.gz VSXXZVGAVOEGHA-IBGZPJMESA-N 3 0 360.502 0.619 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331460422 489214150 /nfs/dbraw/zinc/21/41/50/489214150.db2.gz YWTWRAIHPVUPTQ-IRXDYDNUSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283133899 489218414 /nfs/dbraw/zinc/21/84/14/489218414.db2.gz BJWFTGCOPTZLAM-MRXNPFEDSA-N 2 0 350.463 0.100 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000332786630 489230408 /nfs/dbraw/zinc/23/04/08/489230408.db2.gz HCLFCTXBZNLYEL-RDJZCZTQSA-N 2 0 357.520 0.279 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332855205 489239388 /nfs/dbraw/zinc/23/93/88/489239388.db2.gz YVYCZJOPXXUUQO-FGTMMUONSA-N 2 0 367.538 0.299 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369484286 489244109 /nfs/dbraw/zinc/24/41/09/489244109.db2.gz XRZHPJOPEZIHHA-OAHLLOKOSA-N 2 0 362.478 0.641 20 0 FCADRP C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1[NH+](C)C ZINC000332909700 489245286 /nfs/dbraw/zinc/24/52/86/489245286.db2.gz WLRSDDCDQTXTBV-RDJZCZTQSA-N 2 0 360.506 0.925 20 0 FCADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332971338 489252584 /nfs/dbraw/zinc/25/25/84/489252584.db2.gz DJPNHLMGJXIIKJ-NRSFXHEJSA-N 2 0 368.522 0.461 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333896495 489263708 /nfs/dbraw/zinc/26/37/08/489263708.db2.gz ZCLOUEYZSFOARN-ULQDDVLXSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532034 489271385 /nfs/dbraw/zinc/27/13/85/489271385.db2.gz RGGBWKKGWGXVGG-WBVHZDCISA-N 2 0 358.486 0.976 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1=O ZINC000369911349 489290443 /nfs/dbraw/zinc/29/04/43/489290443.db2.gz KVPJTMFWHOPPBM-TZNCUMHOSA-N 2 0 362.518 0.905 20 0 FCADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000570514544 491246414 /nfs/dbraw/zinc/24/64/14/491246414.db2.gz PTXMNARIWMUHMP-OAHLLOKOSA-N 2 0 357.524 0.682 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000286030290 489348631 /nfs/dbraw/zinc/34/86/31/489348631.db2.gz RDLFQTZHEFFLFO-INIZCTEOSA-N 2 0 368.453 0.239 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000286166757 489363262 /nfs/dbraw/zinc/36/32/62/489363262.db2.gz QQEUJFKENAJHSL-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP Cn1nccc1N1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563504671 491251861 /nfs/dbraw/zinc/25/18/61/491251861.db2.gz UNFRUYNNYQUJAN-MRXNPFEDSA-N 2 0 365.526 0.524 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896047 489403589 /nfs/dbraw/zinc/40/35/89/489403589.db2.gz GTSVCESKVJSVKE-SQNIBIBYSA-N 2 0 367.538 0.111 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000362962823 489407893 /nfs/dbraw/zinc/40/78/93/489407893.db2.gz WSIAXMDBSYWJRZ-IRXDYDNUSA-N 2 0 354.495 0.338 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000363180393 489434260 /nfs/dbraw/zinc/43/42/60/489434260.db2.gz CPMKHRVEPKVRGI-SJORKVTESA-N 2 0 354.495 0.338 20 0 FCADRP O=C(CN1CCCCC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299467187 489444792 /nfs/dbraw/zinc/44/47/92/489444792.db2.gz DZMRQUKVNUGEIK-UHFFFAOYSA-N 2 0 359.474 0.722 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCn1ccnc1 ZINC000299532759 489452659 /nfs/dbraw/zinc/45/26/59/489452659.db2.gz SREGDCPBDBBFHB-UHFFFAOYSA-N 2 0 357.462 0.790 20 0 FCADRP CC(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000299544116 489454016 /nfs/dbraw/zinc/45/40/16/489454016.db2.gz JZAOYUVHKICVHJ-SFHVURJKSA-N 2 0 373.501 0.968 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617446 491258800 /nfs/dbraw/zinc/25/88/00/491258800.db2.gz DRRPTNAXOUCQED-YRXWBPOGSA-N 2 0 356.555 0.320 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000363443112 489467692 /nfs/dbraw/zinc/46/76/92/489467692.db2.gz CBMUGXNXIDMHJV-WMZOPIPTSA-N 2 0 351.539 0.996 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1CCOC ZINC000371354561 489479749 /nfs/dbraw/zinc/47/97/49/489479749.db2.gz USLWBLZCUAPUIR-KZNAEPCWSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423093198 489493132 /nfs/dbraw/zinc/49/31/32/489493132.db2.gz GKXOPHCPPBLMKB-UHFFFAOYSA-N 2 0 350.438 0.666 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000423106399 489493590 /nfs/dbraw/zinc/49/35/90/489493590.db2.gz ZUWRVQDBAWEUOQ-AWEZNQCLSA-N 2 0 350.438 0.536 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423101931 489493669 /nfs/dbraw/zinc/49/36/69/489493669.db2.gz WOFNPZVRSAVLOM-HNNXBMFYSA-N 2 0 350.438 0.536 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423135084 489496202 /nfs/dbraw/zinc/49/62/02/489496202.db2.gz SLUUKRAGYMXIJZ-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000423145948 489496607 /nfs/dbraw/zinc/49/66/07/489496607.db2.gz NEZTYZHAPQEJPK-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000423164747 489498686 /nfs/dbraw/zinc/49/86/86/489498686.db2.gz AABOOPRFNZMUCW-LSDHHAIUSA-N 2 0 350.463 0.674 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423173378 489499697 /nfs/dbraw/zinc/49/96/97/489499697.db2.gz YGSQHKINEFEWGK-HNNXBMFYSA-N 2 0 354.495 0.143 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)o1 ZINC000423173147 489499805 /nfs/dbraw/zinc/49/98/05/489499805.db2.gz XDUWKMPZOBETGG-HZPDHXFCSA-N 2 0 362.474 0.546 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000423170437 489499816 /nfs/dbraw/zinc/49/98/16/489499816.db2.gz LWODEUJRAQPREF-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000423204649 489502835 /nfs/dbraw/zinc/50/28/35/489502835.db2.gz OGMZPXODBHAPPL-ZDUSSCGKSA-N 2 0 368.428 0.675 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000423207182 489502898 /nfs/dbraw/zinc/50/28/98/489502898.db2.gz RJSAPJNBYFYJCD-UHFFFAOYSA-N 2 0 352.454 0.784 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423259736 489508336 /nfs/dbraw/zinc/50/83/36/489508336.db2.gz FSKLOJNMHFFPMG-UHFFFAOYSA-N 2 0 354.495 0.014 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H]1c1ccccc1 ZINC000563638013 491259995 /nfs/dbraw/zinc/25/99/95/491259995.db2.gz QXIFQVICXHBJTF-VVLHAWIVSA-N 2 0 357.458 0.385 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415371708 489515865 /nfs/dbraw/zinc/51/58/65/489515865.db2.gz FOFYYOPTLBRUOW-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000415393911 489517420 /nfs/dbraw/zinc/51/74/20/489517420.db2.gz LMICRLXVBKIKSP-HNNXBMFYSA-N 2 0 362.474 0.942 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415419034 489519287 /nfs/dbraw/zinc/51/92/87/489519287.db2.gz PRXFMJSJUVRPLE-ZDUSSCGKSA-N 2 0 350.488 0.980 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)C1 ZINC000451719336 489519859 /nfs/dbraw/zinc/51/98/59/489519859.db2.gz XEXAGARAQRVGCZ-FCGDIQPGSA-N 2 0 367.534 0.942 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000415448297 489521656 /nfs/dbraw/zinc/52/16/56/489521656.db2.gz XVKOHKCRKDDWDM-INIZCTEOSA-N 2 0 373.501 0.583 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415449278 489522243 /nfs/dbraw/zinc/52/22/43/489522243.db2.gz IJAXBZBLXNTTOM-AWEZNQCLSA-N 2 0 354.426 0.804 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000415454392 489522362 /nfs/dbraw/zinc/52/23/62/489522362.db2.gz NZNKNABDVDFMCK-GOSISDBHSA-N 2 0 373.501 0.616 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000563640446 491260597 /nfs/dbraw/zinc/26/05/97/491260597.db2.gz RMWXISFHKORIBS-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000563640445 491260628 /nfs/dbraw/zinc/26/06/28/491260628.db2.gz RMWXISFHKORIBS-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000415482973 489524411 /nfs/dbraw/zinc/52/44/11/489524411.db2.gz MCOMXEJFJXKJDX-QGZVFWFLSA-N 2 0 359.474 0.322 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415493836 489524949 /nfs/dbraw/zinc/52/49/49/489524949.db2.gz MGKMZQDMZFVLEP-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415511450 489526347 /nfs/dbraw/zinc/52/63/47/489526347.db2.gz PAJZYHWVIOCHGI-CQSZACIVSA-N 2 0 364.515 0.927 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415520035 489526880 /nfs/dbraw/zinc/52/68/80/489526880.db2.gz OHXAZMWVIWBUBB-MRXNPFEDSA-N 2 0 368.441 1.196 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1F ZINC000415554275 489529187 /nfs/dbraw/zinc/52/91/87/489529187.db2.gz CZVVDDHKNUGVLT-UHFFFAOYSA-N 2 0 352.410 0.702 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)c2)CC1 ZINC000415551165 489529260 /nfs/dbraw/zinc/52/92/60/489529260.db2.gz DBMYHXMXMVBNSG-JKSUJKDBSA-N 2 0 373.501 0.976 20 0 FCADRP O=C1OC[C@@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371998488 489533727 /nfs/dbraw/zinc/53/37/27/489533727.db2.gz LDUXOTZVPYAZSM-GJZGRUSLSA-N 2 0 352.435 0.430 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000425882442 489539593 /nfs/dbraw/zinc/53/95/93/489539593.db2.gz DRKKHESCUXAKQA-GJZGRUSLSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415674360 489540892 /nfs/dbraw/zinc/54/08/92/489540892.db2.gz LAZUUDNYVHZSCB-WFASDCNBSA-N 2 0 366.437 0.961 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415736846 489548838 /nfs/dbraw/zinc/54/88/38/489548838.db2.gz BWYQSGIUYTYGDL-HZPDHXFCSA-N 2 0 374.485 0.942 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415736847 489548871 /nfs/dbraw/zinc/54/88/71/489548871.db2.gz BWYQSGIUYTYGDL-JKSUJKDBSA-N 2 0 374.485 0.942 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000555648936 491262225 /nfs/dbraw/zinc/26/22/25/491262225.db2.gz FMTYHKHWWPWCHH-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000415787511 489553126 /nfs/dbraw/zinc/55/31/26/489553126.db2.gz PGCTVDVOAHNMOP-CYBMUJFWSA-N 2 0 363.462 0.759 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c2)CC1 ZINC000415832101 489556918 /nfs/dbraw/zinc/55/69/18/489556918.db2.gz QDBRAJKQUZZYLG-CRAIPNDOSA-N 2 0 373.501 0.961 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000415876102 489562977 /nfs/dbraw/zinc/56/29/77/489562977.db2.gz ZTLKZUVPBWKUNU-HZPDHXFCSA-N 2 0 374.485 0.942 20 0 FCADRP CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC ZINC000454430441 489569468 /nfs/dbraw/zinc/56/94/68/489569468.db2.gz RMOGMQYHYKHUMC-INIZCTEOSA-N 2 0 362.478 0.418 20 0 FCADRP Cc1cccc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312362 489569746 /nfs/dbraw/zinc/56/97/46/489569746.db2.gz WFIXUFFERHHICF-VQTJNVASSA-N 2 0 372.513 0.874 20 0 FCADRP C[C@]1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC(=O)N1 ZINC000454419000 489569879 /nfs/dbraw/zinc/56/98/79/489569879.db2.gz HXRWIJPWIZWBRE-LJQANCHMSA-N 2 0 374.489 0.562 20 0 FCADRP O=C(NCC1CC[NH+](CCO)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426541722 489574607 /nfs/dbraw/zinc/57/46/07/489574607.db2.gz BXKVVNZKWDRTKX-QZTJIDSGSA-N 2 0 368.522 0.368 20 0 FCADRP C[C@@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000454647060 489574775 /nfs/dbraw/zinc/57/47/75/489574775.db2.gz TVQLCIJTWNVYGI-KBPBESRZSA-N 2 0 358.527 0.693 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426567627 489575724 /nfs/dbraw/zinc/57/57/24/489575724.db2.gz LMOSUTNCLZHOTO-DLBZAZTESA-N 2 0 368.522 0.510 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2ccnc(C(=O)NCC3([NH+](C)C)CC3)c2)CC1 ZINC000416300523 489580565 /nfs/dbraw/zinc/58/05/65/489580565.db2.gz JFXAGLGEBBNKMI-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000563713469 491264710 /nfs/dbraw/zinc/26/47/10/491264710.db2.gz GZLYPAKXZKETQZ-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCCN(c2nc(OC)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000426880196 489585146 /nfs/dbraw/zinc/58/51/46/489585146.db2.gz ABHHQCHEXVDSPH-UHFFFAOYSA-N 2 0 363.510 0.944 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000416835184 489631307 /nfs/dbraw/zinc/63/13/07/489631307.db2.gz TULXEXUIXSPSKN-MRXNPFEDSA-N 2 0 353.511 0.888 20 0 FCADRP O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000428043059 489634217 /nfs/dbraw/zinc/63/42/17/489634217.db2.gz XAQLKCAUAWRTKH-ZWKOTPCHSA-N 2 0 364.534 0.822 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417012682 489638690 /nfs/dbraw/zinc/63/86/90/489638690.db2.gz ATKHEGADKIBVES-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417238992 489645521 /nfs/dbraw/zinc/64/55/21/489645521.db2.gz NDLUBJDBLYNGSI-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362055 489649303 /nfs/dbraw/zinc/64/93/03/489649303.db2.gz DIXCMVRKEARCFD-DLBZAZTESA-N 3 0 360.506 0.972 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000417367402 489649798 /nfs/dbraw/zinc/64/97/98/489649798.db2.gz MHOFLMLBDGJFTL-KRWDZBQOSA-N 3 0 360.506 0.893 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000417391300 489651212 /nfs/dbraw/zinc/65/12/12/489651212.db2.gz RKOXEJZSBIUWMY-HNNXBMFYSA-N 3 0 370.448 0.875 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417425996 489651456 /nfs/dbraw/zinc/65/14/56/489651456.db2.gz FNWNZTRKNSXSBO-TWMKSMIVSA-N 2 0 365.522 0.616 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417436224 489653468 /nfs/dbraw/zinc/65/34/68/489653468.db2.gz ZNDKBLUWZNFWHD-CRAIPNDOSA-N 2 0 353.511 0.618 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449958 489654648 /nfs/dbraw/zinc/65/46/48/489654648.db2.gz YYQYXNXCVJLDPL-HZPDHXFCSA-N 2 0 353.511 0.570 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417497542 489656085 /nfs/dbraw/zinc/65/60/85/489656085.db2.gz BITMSOWXXBCKJN-MRXNPFEDSA-N 2 0 363.510 0.661 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000428621040 489657724 /nfs/dbraw/zinc/65/77/24/489657724.db2.gz KJPXFZFDDNWUQZ-CGTJXYLNSA-N 2 0 358.486 0.993 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582721 489658728 /nfs/dbraw/zinc/65/87/28/489658728.db2.gz JFDFSSLUYKBHEK-KGLIPLIRSA-N 2 0 365.444 0.996 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000417669052 489660855 /nfs/dbraw/zinc/66/08/55/489660855.db2.gz KRBLRGJLLCKAHE-ULQDDVLXSA-N 2 0 356.511 0.801 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417674513 489661051 /nfs/dbraw/zinc/66/10/51/489661051.db2.gz ZPWCPLSFQCUAEI-IRXDYDNUSA-N 2 0 355.527 0.328 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000428709765 489661906 /nfs/dbraw/zinc/66/19/06/489661906.db2.gz QYAAXEZZDMAGHT-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000417847209 489668556 /nfs/dbraw/zinc/66/85/56/489668556.db2.gz AGUDAUYCKRPGNN-FMKPAKJESA-N 2 0 351.495 0.641 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000417856364 489668580 /nfs/dbraw/zinc/66/85/80/489668580.db2.gz WCWBUVDOMOUYOL-UHFFFAOYSA-N 2 0 365.522 0.832 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417864012 489668845 /nfs/dbraw/zinc/66/88/45/489668845.db2.gz AWQRFEUMTISDOG-BMFZPTHFSA-N 2 0 351.495 0.498 20 0 FCADRP COC[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC[NH2+]1 ZINC000417907050 489670607 /nfs/dbraw/zinc/67/06/07/489670607.db2.gz GMUWZAWOBJPCTB-ZHALLVOQSA-N 2 0 368.522 0.822 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910189 489670634 /nfs/dbraw/zinc/67/06/34/489670634.db2.gz JKIKQHZIOIQPKV-DLBZAZTESA-N 2 0 367.538 0.851 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910190 489670645 /nfs/dbraw/zinc/67/06/45/489670645.db2.gz JKIKQHZIOIQPKV-IAGOWNOFSA-N 2 0 367.538 0.851 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000563804477 491270175 /nfs/dbraw/zinc/27/01/75/491270175.db2.gz OJVLPDNXUCEYMF-YVSFHVDLSA-N 2 0 366.506 0.284 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417945816 489673012 /nfs/dbraw/zinc/67/30/12/489673012.db2.gz XXTPIGKNMOICCO-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000555754711 491270936 /nfs/dbraw/zinc/27/09/36/491270936.db2.gz KRKIKAZPSRCGNS-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418179055 489682803 /nfs/dbraw/zinc/68/28/03/489682803.db2.gz GAXNDKCPOWZINN-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+](C)CCCC(C)(C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458427147 489682951 /nfs/dbraw/zinc/68/29/51/489682951.db2.gz NUIQSXXIHRQBHZ-OAHLLOKOSA-N 2 0 355.527 0.993 20 0 FCADRP CCN1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000418189198 489683824 /nfs/dbraw/zinc/68/38/24/489683824.db2.gz VBZRCQJBFYZJMK-XSLAGTTESA-N 2 0 362.474 0.328 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418243559 489686082 /nfs/dbraw/zinc/68/60/82/489686082.db2.gz RLICWBOHSCNCMR-UNEWFSDZSA-N 2 0 353.511 0.661 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273678 489687105 /nfs/dbraw/zinc/68/71/05/489687105.db2.gz BXBJVVVYXKUZSS-KBPBESRZSA-N 2 0 365.444 0.854 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429446083 489687800 /nfs/dbraw/zinc/68/78/00/489687800.db2.gz GMRVDUBFAGJAMK-CVEARBPZSA-N 2 0 364.556 0.545 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418309133 489691141 /nfs/dbraw/zinc/69/11/41/489691141.db2.gz VOSAWNMRLHDYRB-UHFFFAOYSA-N 2 0 351.470 0.804 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418359614 489693404 /nfs/dbraw/zinc/69/34/04/489693404.db2.gz ANMTYMCDFYKTQJ-IAGOWNOFSA-N 2 0 355.527 0.278 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418422964 489697451 /nfs/dbraw/zinc/69/74/51/489697451.db2.gz BPNDACLFFRHLHN-XHSDSOJGSA-N 2 0 353.511 0.650 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418521876 489704165 /nfs/dbraw/zinc/70/41/65/489704165.db2.gz RVRDYOIQRZWEMI-UHFFFAOYSA-N 2 0 353.511 0.572 20 0 FCADRP [NH3+]C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000418603250 489708869 /nfs/dbraw/zinc/70/88/69/489708869.db2.gz WKMZRLWOHFRJMC-OLZOCXBDSA-N 2 0 351.417 0.639 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000418604171 489709768 /nfs/dbraw/zinc/70/97/68/489709768.db2.gz XIVMENRUKFGDFS-XIRDDKMYSA-N 2 0 365.522 0.794 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610174 489710501 /nfs/dbraw/zinc/71/05/01/489710501.db2.gz GNDZRYPELAZXET-CHWSQXEVSA-N 2 0 351.417 0.593 20 0 FCADRP CCCN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000418622612 489712002 /nfs/dbraw/zinc/71/20/02/489712002.db2.gz VTNTVKBODUPQOA-AWEZNQCLSA-N 2 0 365.444 0.996 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418637916 489714614 /nfs/dbraw/zinc/71/46/14/489714614.db2.gz KBYLBLRCRRCMSU-UHFFFAOYSA-N 2 0 351.495 0.492 20 0 FCADRP COCC1(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000418649332 489715296 /nfs/dbraw/zinc/71/52/96/489715296.db2.gz UUULQBKBMLYEDB-INIZCTEOSA-N 2 0 356.511 0.755 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1)[C@H]1CCC[NH2+]1 ZINC000570923985 491273723 /nfs/dbraw/zinc/27/37/23/491273723.db2.gz PLDLAVDFMMAABR-ZYSHUDEJSA-N 2 0 370.497 0.980 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418738678 489721060 /nfs/dbraw/zinc/72/10/60/489721060.db2.gz YAADNCZEQFGUAS-CGTJXYLNSA-N 2 0 363.481 0.722 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789949 489727522 /nfs/dbraw/zinc/72/75/22/489727522.db2.gz MHMKNKLBSOWJMS-IRXDYDNUSA-N 3 0 355.527 0.422 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000471056161 489729690 /nfs/dbraw/zinc/72/96/90/489729690.db2.gz IZNJBLNHPGASQT-LJQANCHMSA-N 2 0 362.474 0.650 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000418800151 489729890 /nfs/dbraw/zinc/72/98/90/489729890.db2.gz IFMIXPHNHVCUSW-UHFFFAOYSA-N 2 0 366.506 0.335 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807384 489732051 /nfs/dbraw/zinc/73/20/51/489732051.db2.gz PUJUISJILZFQPD-INIZCTEOSA-N 2 0 368.522 0.357 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCCC1 ZINC000418826420 489740934 /nfs/dbraw/zinc/74/09/34/489740934.db2.gz CPVDTTOAPYJSJF-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418828382 489742462 /nfs/dbraw/zinc/74/24/62/489742462.db2.gz HVPLIAZBZHKSBO-CVEARBPZSA-N 2 0 366.506 0.524 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000418827140 489742511 /nfs/dbraw/zinc/74/25/11/489742511.db2.gz BWCIUYJFZJXUCJ-SQNIBIBYSA-N 2 0 358.486 0.628 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418828384 489742705 /nfs/dbraw/zinc/74/27/05/489742705.db2.gz HVPLIAZBZHKSBO-HOTGVXAUSA-N 2 0 366.506 0.524 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccs1 ZINC000418829430 489743088 /nfs/dbraw/zinc/74/30/88/489743088.db2.gz IWFZCBPUOZINJV-HZSPNIEDSA-N 2 0 350.488 0.535 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000418830212 489743266 /nfs/dbraw/zinc/74/32/66/489743266.db2.gz FNWZIDNWCOCIEC-NVXWUHKLSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]2CCCCC2)cc1 ZINC000418830733 489743714 /nfs/dbraw/zinc/74/37/14/489743714.db2.gz JWDPVWGDEMOYGF-WMLDXEAASA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCCC1 ZINC000418833233 489746006 /nfs/dbraw/zinc/74/60/06/489746006.db2.gz HYIYLPNQAOTFKX-DOTOQJQBSA-N 2 0 374.485 0.769 20 0 FCADRP O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000430581094 489748518 /nfs/dbraw/zinc/74/85/18/489748518.db2.gz ISONXZWZJCSSPZ-MSOLQXFVSA-N 2 0 364.534 0.964 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000418838580 489749276 /nfs/dbraw/zinc/74/92/76/489749276.db2.gz VNILSOTYXFQXPJ-KRWDZBQOSA-N 2 0 362.474 0.674 20 0 FCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000418840446 489749605 /nfs/dbraw/zinc/74/96/05/489749605.db2.gz FHADCICMZDDHMA-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418841791 489751537 /nfs/dbraw/zinc/75/15/37/489751537.db2.gz ATSIEAVXQCEKMC-QAPCUYQASA-N 2 0 374.485 0.756 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418841790 489751560 /nfs/dbraw/zinc/75/15/60/489751560.db2.gz ATSIEAVXQCEKMC-MAUKXSAKSA-N 2 0 374.485 0.756 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]2CCCCC2)cc1 ZINC000418842098 489752618 /nfs/dbraw/zinc/75/26/18/489752618.db2.gz ZRAXRBCQJDYATO-KRWDZBQOSA-N 2 0 362.474 0.756 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430612882 489753684 /nfs/dbraw/zinc/75/36/84/489753684.db2.gz UOWAWBAMAOKUFK-ZDUSSCGKSA-N 2 0 368.428 0.410 20 0 FCADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613943 489753833 /nfs/dbraw/zinc/75/38/33/489753833.db2.gz XVJGQXQBSNYIBY-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618294 489754726 /nfs/dbraw/zinc/75/47/26/489754726.db2.gz SOFXRLAWFRVHLA-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418849802 489755137 /nfs/dbraw/zinc/75/51/37/489755137.db2.gz NIABKJPZVOACHG-INIZCTEOSA-N 2 0 362.474 0.626 20 0 FCADRP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430619531 489755152 /nfs/dbraw/zinc/75/51/52/489755152.db2.gz GFVRXCZUJNYXJK-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000418849810 489755669 /nfs/dbraw/zinc/75/56/69/489755669.db2.gz NIUWHSSVLWMFAK-OKZBNKHCSA-N 2 0 360.502 0.909 20 0 FCADRP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430629549 489757861 /nfs/dbraw/zinc/75/78/61/489757861.db2.gz OOPHOKNBKQZHAE-HUUCEWRRSA-N 2 0 365.478 1.267 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853987 489758643 /nfs/dbraw/zinc/75/86/43/489758643.db2.gz SURFJYLLESOEPP-ROUUACIJSA-N 2 0 360.502 0.781 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418855854 489759234 /nfs/dbraw/zinc/75/92/34/489759234.db2.gz VSTMPFJOUZAVIN-ZWKOTPCHSA-N 2 0 360.502 0.734 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000418855429 489759553 /nfs/dbraw/zinc/75/95/53/489759553.db2.gz DHCQIIKSGONBEP-JKSUJKDBSA-N 2 0 368.522 0.579 20 0 FCADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430637223 489760088 /nfs/dbraw/zinc/76/00/88/489760088.db2.gz BZACWZSKKAVBIU-MRXNPFEDSA-N 2 0 362.474 0.236 20 0 FCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642069 489760503 /nfs/dbraw/zinc/76/05/03/489760503.db2.gz UPCSMQVGOUPZIQ-CHWSQXEVSA-N 2 0 362.430 0.529 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000418858510 489761359 /nfs/dbraw/zinc/76/13/59/489761359.db2.gz JSASKMPSVMPCGS-FGTMMUONSA-N 2 0 358.486 0.646 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418858056 489761463 /nfs/dbraw/zinc/76/14/63/489761463.db2.gz IJSVMNCKJYYMMG-KGLIPLIRSA-N 2 0 350.488 0.951 20 0 FCADRP CCN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3C)CC2)CC1 ZINC000459827093 489761873 /nfs/dbraw/zinc/76/18/73/489761873.db2.gz YOZLRUWPJUKVRR-UHFFFAOYSA-N 2 0 358.486 0.803 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418861102 489762946 /nfs/dbraw/zinc/76/29/46/489762946.db2.gz MLZNVINPUHJKBU-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418866579 489766263 /nfs/dbraw/zinc/76/62/63/489766263.db2.gz OBBJMPAOLSADHS-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000430714331 489767060 /nfs/dbraw/zinc/76/70/60/489767060.db2.gz NIUJQCQJJOEVRM-SFHVURJKSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418873652 489769023 /nfs/dbraw/zinc/76/90/23/489769023.db2.gz IICKKEGSKJTALY-SQNIBIBYSA-N 2 0 358.486 0.343 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000418875604 489769667 /nfs/dbraw/zinc/76/96/67/489769667.db2.gz KXERZHOEDIVYHO-YJBOKZPZSA-N 2 0 374.485 0.769 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418881031 489773407 /nfs/dbraw/zinc/77/34/07/489773407.db2.gz WORKPXJSYHHRJQ-MSOLQXFVSA-N 2 0 374.485 0.802 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418881846 489773548 /nfs/dbraw/zinc/77/35/48/489773548.db2.gz RQWXKIORBNLARC-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430874898 489774647 /nfs/dbraw/zinc/77/46/47/489774647.db2.gz JACOWGALOKZFIU-QZWWFDLISA-N 2 0 350.507 0.966 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C[NH3+])C1 ZINC000418906894 489785541 /nfs/dbraw/zinc/78/55/41/489785541.db2.gz WUYCSXLSPOCGSU-HZPDHXFCSA-N 2 0 368.522 0.722 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915240 489789815 /nfs/dbraw/zinc/78/98/15/489789815.db2.gz IBVIXCASPHWLRB-QZNHQWIBSA-N 2 0 368.522 0.842 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915239 489790353 /nfs/dbraw/zinc/79/03/53/489790353.db2.gz IBVIXCASPHWLRB-GPINWOSQSA-N 2 0 368.522 0.842 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000459917931 489791699 /nfs/dbraw/zinc/79/16/99/489791699.db2.gz KHXDBWSTICVVTE-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000459917927 489791948 /nfs/dbraw/zinc/79/19/48/489791948.db2.gz KHXDBWSTICVVTE-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000418919724 489792274 /nfs/dbraw/zinc/79/22/74/489792274.db2.gz KIBWDGZSALEAID-HNNXBMFYSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000418936042 489796176 /nfs/dbraw/zinc/79/61/76/489796176.db2.gz BECSEQNJZOJAOM-NVXWUHKLSA-N 2 0 362.474 0.118 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418934124 489796363 /nfs/dbraw/zinc/79/63/63/489796363.db2.gz BNUDEQGWQIAWAB-DNVCBOLYSA-N 2 0 362.474 0.991 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000431280879 489799207 /nfs/dbraw/zinc/79/92/07/489799207.db2.gz CQMGUTGRJTYOIE-HOTGVXAUSA-N 2 0 365.522 0.903 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298273 489799729 /nfs/dbraw/zinc/79/97/29/489799729.db2.gz TVYYDTYQQSAQBA-DOTOQJQBSA-N 2 0 365.522 0.761 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418950147 489801139 /nfs/dbraw/zinc/80/11/39/489801139.db2.gz VTFGAOPIHCKIKU-OKZBNKHCSA-N 2 0 358.486 0.739 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000418951834 489802689 /nfs/dbraw/zinc/80/26/89/489802689.db2.gz XZQCIPFMNXWJGF-LSDHHAIUSA-N 2 0 350.463 0.895 20 0 FCADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000431373688 489803741 /nfs/dbraw/zinc/80/37/41/489803741.db2.gz CXPOANDFRXSNIE-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418957550 489804696 /nfs/dbraw/zinc/80/46/96/489804696.db2.gz VATLZHIYBRHNOZ-UHFFFAOYSA-N 2 0 365.478 0.082 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418971108 489807969 /nfs/dbraw/zinc/80/79/69/489807969.db2.gz XHZUERDHXQEYLY-INIZCTEOSA-N 2 0 360.458 0.256 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459997186 489812764 /nfs/dbraw/zinc/81/27/64/489812764.db2.gz SIZNQBWBISPAKX-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000460001572 489814791 /nfs/dbraw/zinc/81/47/91/489814791.db2.gz YZUURTCLRYSDEY-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000419011696 489816722 /nfs/dbraw/zinc/81/67/22/489816722.db2.gz SYEQTRNYVJXKRF-OAHLLOKOSA-N 2 0 364.877 0.980 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419021348 489820414 /nfs/dbraw/zinc/82/04/14/489820414.db2.gz GXXSTLIRLUWJHH-QKPAOTATSA-N 2 0 354.495 0.045 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000460021179 489820564 /nfs/dbraw/zinc/82/05/64/489820564.db2.gz PYOKMEWYIDDZEX-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419023156 489821308 /nfs/dbraw/zinc/82/13/08/489821308.db2.gz JFJVFYPTBLZTRB-BQJWPVKWSA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023858 489821463 /nfs/dbraw/zinc/82/14/63/489821463.db2.gz KASPDQOFQNPGTE-HZPDHXFCSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419023060 489821670 /nfs/dbraw/zinc/82/16/70/489821670.db2.gz IZFHBDGRLQBCBZ-QRJUGERDSA-N 2 0 368.522 0.698 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419026589 489823423 /nfs/dbraw/zinc/82/34/23/489823423.db2.gz BQCLTQFUCLOBPL-OAHLLOKOSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419034022 489827418 /nfs/dbraw/zinc/82/74/18/489827418.db2.gz YYECRCSKLMMUCB-BQJWPVKWSA-N 2 0 352.523 0.912 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)[C@@H](C)C1 ZINC000419034754 489827672 /nfs/dbraw/zinc/82/76/72/489827672.db2.gz DWBMIXXDNYCRES-ULQDDVLXSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000419040142 489830025 /nfs/dbraw/zinc/83/00/25/489830025.db2.gz MDHSTXUGNMSKEK-OAGGEKHMSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419043370 489830942 /nfs/dbraw/zinc/83/09/42/489830942.db2.gz JIDXRSAFHDHRAG-DOTOQJQBSA-N 2 0 362.474 0.290 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000419049110 489835257 /nfs/dbraw/zinc/83/52/57/489835257.db2.gz WWRMSDXQDMUFCZ-GXTWGEPZSA-N 2 0 354.401 0.648 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000419068325 489843999 /nfs/dbraw/zinc/84/39/99/489843999.db2.gz HSEUCUTXFNGYKZ-GOSISDBHSA-N 2 0 374.485 0.201 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000419100879 489856222 /nfs/dbraw/zinc/85/62/22/489856222.db2.gz CHTXRMDTRINCLT-YSVLISHTSA-N 2 0 362.449 0.699 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000460265761 489860611 /nfs/dbraw/zinc/86/06/11/489860611.db2.gz ZEMCFGBMSIVQEB-RYRKJORJSA-N 2 0 356.511 0.489 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1F ZINC000419116591 489862633 /nfs/dbraw/zinc/86/26/33/489862633.db2.gz UWUMKBIZXUXCMI-IYBDPMFKSA-N 2 0 362.449 0.856 20 0 FCADRP C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CCSC1 ZINC000493946523 489863772 /nfs/dbraw/zinc/86/37/72/489863772.db2.gz DLKUFGJPNGSCDK-GJZGRUSLSA-N 2 0 354.520 0.189 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419119972 489864122 /nfs/dbraw/zinc/86/41/22/489864122.db2.gz KRGFOBOWCCYDNU-LTIDMASMSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCCCC1 ZINC000419123562 489867533 /nfs/dbraw/zinc/86/75/33/489867533.db2.gz HBTISGFMFZBTAW-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000433130062 489867998 /nfs/dbraw/zinc/86/79/98/489867998.db2.gz QHSPCFDXGFIXLV-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000433165446 489869444 /nfs/dbraw/zinc/86/94/44/489869444.db2.gz URMVMFMOGXXNRG-KRWDZBQOSA-N 3 0 352.523 0.761 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433173015 489870026 /nfs/dbraw/zinc/87/00/26/489870026.db2.gz IUGWTXIGBVPJRI-UHFFFAOYSA-N 2 0 367.538 0.297 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419978035 489872323 /nfs/dbraw/zinc/87/23/23/489872323.db2.gz NPNJAMKWZOYBAT-MRXNPFEDSA-N 2 0 366.506 0.063 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000419991521 489874682 /nfs/dbraw/zinc/87/46/82/489874682.db2.gz DLJLIAUQIDLFEM-DOTOQJQBSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H](CNC(=O)C1(CC(=O)NC[C@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000494244505 489876945 /nfs/dbraw/zinc/87/69/45/489876945.db2.gz JGISTKQHYIMMSE-LSDHHAIUSA-N 2 0 356.511 0.306 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420010636 489880909 /nfs/dbraw/zinc/88/09/09/489880909.db2.gz FRHSUKJVHPNTFW-YESZJQIVSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)C(C)C ZINC000420012522 489880980 /nfs/dbraw/zinc/88/09/80/489880980.db2.gz AYHKAXFODFJFMP-GJZGRUSLSA-N 2 0 356.511 0.793 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020280 489883369 /nfs/dbraw/zinc/88/33/69/489883369.db2.gz FBRGOAMOFKOWJA-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000433449839 489884215 /nfs/dbraw/zinc/88/42/15/489884215.db2.gz JGTQKLCKQIBBGB-KRWDZBQOSA-N 2 0 370.538 0.976 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420027646 489884927 /nfs/dbraw/zinc/88/49/27/489884927.db2.gz DAXKXFSEABFWPP-GJZGRUSLSA-N 2 0 356.511 0.796 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030614 489886862 /nfs/dbraw/zinc/88/68/62/489886862.db2.gz GOMRMXPKQOEFKL-UKRRQHHQSA-N 2 0 366.462 0.399 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420035330 489888119 /nfs/dbraw/zinc/88/81/19/489888119.db2.gz JZONAYJMSQKREO-GJZGRUSLSA-N 2 0 356.511 0.796 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420043311 489891718 /nfs/dbraw/zinc/89/17/18/489891718.db2.gz RSAHSIMEDJIUAO-KKUMJFAQSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420043313 489891744 /nfs/dbraw/zinc/89/17/44/489891744.db2.gz RSAHSIMEDJIUAO-SOUVJXGZSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420047124 489892362 /nfs/dbraw/zinc/89/23/62/489892362.db2.gz WBWVALRSZBQJFP-RRFJBIMHSA-N 2 0 352.479 0.302 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608758 489893018 /nfs/dbraw/zinc/89/30/18/489893018.db2.gz LPTUGCWJQCPXEI-NVXWUHKLSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420051015 489894476 /nfs/dbraw/zinc/89/44/76/489894476.db2.gz ZQLYRCURYDNLJA-XHSDSOJGSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420060253 489897976 /nfs/dbraw/zinc/89/79/76/489897976.db2.gz KXEYHMSSCHLPSR-HOCLYGCPSA-N 2 0 350.463 0.804 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420066652 489900976 /nfs/dbraw/zinc/90/09/76/489900976.db2.gz RPHQKGBOESPDND-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420073063 489903448 /nfs/dbraw/zinc/90/34/48/489903448.db2.gz XYEMBVVXKDKGQE-HLLBOEOZSA-N 2 0 366.506 0.332 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420074840 489904721 /nfs/dbraw/zinc/90/47/21/489904721.db2.gz ZYWVEKNNQHHFMG-IRXDYDNUSA-N 2 0 366.506 0.191 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000564062988 491286574 /nfs/dbraw/zinc/28/65/74/491286574.db2.gz JCHWDFVCHBUUIG-SFHVURJKSA-N 2 0 363.506 0.510 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420099745 489912178 /nfs/dbraw/zinc/91/21/78/489912178.db2.gz YPZNKKRLMMGZJG-HOTGVXAUSA-N 2 0 365.522 0.001 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000377513197 489912268 /nfs/dbraw/zinc/91/22/68/489912268.db2.gz SHOCLLYCPZXYDL-GOSISDBHSA-N 2 0 366.550 0.973 20 0 FCADRP CN(CCC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377528480 489915210 /nfs/dbraw/zinc/91/52/10/489915210.db2.gz REWFIBCPPZQLGB-QGZVFWFLSA-N 2 0 350.511 0.731 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420112617 489916744 /nfs/dbraw/zinc/91/67/44/489916744.db2.gz XQBQFRXIXQZWOF-IIDMSEBBSA-N 2 0 354.495 0.108 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420123333 489920085 /nfs/dbraw/zinc/92/00/85/489920085.db2.gz NHVLDPBQRADXFA-MRXNPFEDSA-N 2 0 368.522 0.724 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000377576802 489924051 /nfs/dbraw/zinc/92/40/51/489924051.db2.gz GFNBHXZDOODTID-IRXDYDNUSA-N 2 0 354.495 0.650 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000477033345 489933669 /nfs/dbraw/zinc/93/36/69/489933669.db2.gz MKMXPCUEKOSAEH-OAHLLOKOSA-N 2 0 356.511 0.138 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420163943 489936910 /nfs/dbraw/zinc/93/69/10/489936910.db2.gz LLHFZZBKNUQNNH-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000477069431 489939157 /nfs/dbraw/zinc/93/91/57/489939157.db2.gz QYYLITJHDUJRRM-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171944 489940074 /nfs/dbraw/zinc/94/00/74/489940074.db2.gz USENZCZYJPPIBR-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000420185043 489944567 /nfs/dbraw/zinc/94/45/67/489944567.db2.gz JFVRGBNZHAMRIW-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477202000 489949980 /nfs/dbraw/zinc/94/99/80/489949980.db2.gz GWKJULNEFHJWIM-QFBILLFUSA-N 2 0 370.538 0.650 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420207296 489952994 /nfs/dbraw/zinc/95/29/94/489952994.db2.gz UGADWZSMYUSETN-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420215127 489954644 /nfs/dbraw/zinc/95/46/44/489954644.db2.gz RWHACKOJGMQHKV-GVDBMIGSSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000377802004 489959979 /nfs/dbraw/zinc/95/99/79/489959979.db2.gz DQRYYJFYSFOJKU-BSDSXHPESA-N 2 0 353.507 0.912 20 0 FCADRP COC(=O)c1cccc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420305354 489962011 /nfs/dbraw/zinc/96/20/11/489962011.db2.gz YVZYHHSCSWWISB-CQSZACIVSA-N 2 0 362.430 0.199 20 0 FCADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000420319363 489962384 /nfs/dbraw/zinc/96/23/84/489962384.db2.gz PJGZNNGLYSJYPF-GDBMZVCRSA-N 2 0 355.504 0.999 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329220 489963703 /nfs/dbraw/zinc/96/37/03/489963703.db2.gz OCANHMFSNHPMRG-ZIAGYGMSSA-N 2 0 363.462 0.857 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556065183 491291648 /nfs/dbraw/zinc/29/16/48/491291648.db2.gz AOECBFSWWNYLBX-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1ccc2c(c1)OCO2 ZINC000420343837 489965903 /nfs/dbraw/zinc/96/59/03/489965903.db2.gz RURSZGZGCAZVFS-GASCZTMLSA-N 2 0 361.442 0.842 20 0 FCADRP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349296 489966717 /nfs/dbraw/zinc/96/67/17/489966717.db2.gz OJOBBXLEHBDTNW-CRAIPNDOSA-N 2 0 374.485 0.457 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373804 489968822 /nfs/dbraw/zinc/96/88/22/489968822.db2.gz NGWMVYBKGMRXKS-HKUYNNGSSA-N 2 0 352.523 0.535 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000420434030 489975421 /nfs/dbraw/zinc/97/54/21/489975421.db2.gz QTNHJESCKUOBLK-OAHLLOKOSA-N 2 0 357.524 0.811 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000477617026 489977558 /nfs/dbraw/zinc/97/75/58/489977558.db2.gz QAYIUUJOLZDDAR-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619549 489978220 /nfs/dbraw/zinc/97/82/20/489978220.db2.gz YJDUYWSCFRGOPR-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP CCn1c2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2oc1=O ZINC000420457886 489980350 /nfs/dbraw/zinc/98/03/50/489980350.db2.gz OXPPMDWGUGMADP-UHFFFAOYSA-N 2 0 356.448 0.303 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639119 489980475 /nfs/dbraw/zinc/98/04/75/489980475.db2.gz DRRGFQZJGKTRSW-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1C ZINC000420461391 489981472 /nfs/dbraw/zinc/98/14/72/489981472.db2.gz TYCCDCJOUFDFPB-UHFFFAOYSA-N 2 0 360.480 0.497 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477652336 489981880 /nfs/dbraw/zinc/98/18/80/489981880.db2.gz LMJXDBSOGUXCEQ-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000420465273 489982196 /nfs/dbraw/zinc/98/21/96/489982196.db2.gz YKPVIWSURIUQKW-UHFFFAOYSA-N 2 0 370.397 0.711 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000477670092 489983399 /nfs/dbraw/zinc/98/33/99/489983399.db2.gz BCWSAUCELQMXKN-UHFFFAOYSA-N 2 0 368.522 0.045 20 0 FCADRP O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000435240231 489991605 /nfs/dbraw/zinc/99/16/05/489991605.db2.gz NIMBZGZXDUGUFW-SFHVURJKSA-N 2 0 364.534 0.964 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000564094386 491288549 /nfs/dbraw/zinc/28/85/49/491288549.db2.gz PBCNUKYMAUWRGT-UHFFFAOYSA-N 2 0 373.501 0.750 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000435474519 490002615 /nfs/dbraw/zinc/00/26/15/490002615.db2.gz WVZPTKAGHSKSNM-CVEARBPZSA-N 2 0 361.446 0.584 20 0 FCADRP COc1nc(N(C)C[C@H]2CCC[N@@H+]2C)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420630946 490002901 /nfs/dbraw/zinc/00/29/01/490002901.db2.gz FVXQEPZFEAABFE-GASCZTMLSA-N 2 0 363.510 0.941 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000436490820 490007730 /nfs/dbraw/zinc/00/77/30/490007730.db2.gz UYUOEJHPBGOZLP-UHFFFAOYSA-N 2 0 352.483 0.755 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000420840096 490025880 /nfs/dbraw/zinc/02/58/80/490025880.db2.gz NXQWBMNEWPSOOK-ZWKOTPCHSA-N 2 0 360.502 0.828 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438715819 490036514 /nfs/dbraw/zinc/03/65/14/490036514.db2.gz KUBSIEMVRPZSNQ-MRXNPFEDSA-N 2 0 368.441 1.293 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044540 490050989 /nfs/dbraw/zinc/05/09/89/490050989.db2.gz XDNOGJCBYSBFOZ-HIFRSBDPSA-N 2 0 356.430 1.004 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202476 490074376 /nfs/dbraw/zinc/07/43/76/490074376.db2.gz QMJSEAFCDAZVRE-HOCLYGCPSA-N 2 0 350.438 0.572 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC(F)F ZINC000444137388 490079577 /nfs/dbraw/zinc/07/95/77/490079577.db2.gz GSHYLQBCLXBFDT-UHFFFAOYSA-N 2 0 355.389 0.091 20 0 FCADRP CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000479337872 490083061 /nfs/dbraw/zinc/08/30/61/490083061.db2.gz RMSVNFCMSVKEAP-MRXNPFEDSA-N 2 0 367.538 0.995 20 0 FCADRP C[C@H]1[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@@H+]1C ZINC000506433775 490092148 /nfs/dbraw/zinc/09/21/48/490092148.db2.gz ZPGXMQSCEHOQFL-MAUKXSAKSA-N 2 0 372.513 0.801 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727329 490102516 /nfs/dbraw/zinc/10/25/16/490102516.db2.gz WMARJORJUTWQJS-WMLDXEAASA-N 2 0 356.536 0.388 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000479689071 490115690 /nfs/dbraw/zinc/11/56/90/490115690.db2.gz QOTOMAUTXTXHAC-IYBDPMFKSA-N 2 0 374.551 0.348 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000520377450 490141139 /nfs/dbraw/zinc/14/11/39/490141139.db2.gz LTHWMTWTLWCMBV-LSDHHAIUSA-N 2 0 368.865 0.245 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351977 491302787 /nfs/dbraw/zinc/30/27/87/491302787.db2.gz RFLSPTHSVDTUPF-ROUUACIJSA-N 2 0 371.485 0.604 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000465919294 490153747 /nfs/dbraw/zinc/15/37/47/490153747.db2.gz AJAJVUUSTRKCDJ-SFHVURJKSA-N 2 0 369.554 0.502 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000556209121 491303398 /nfs/dbraw/zinc/30/33/98/491303398.db2.gz VPOZWHPAXKHBQE-MAUKXSAKSA-N 2 0 370.563 0.777 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000465960109 490158137 /nfs/dbraw/zinc/15/81/37/490158137.db2.gz VGBLAMSQXZDBNL-IAGOWNOFSA-N 2 0 365.522 0.844 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422107992 490160058 /nfs/dbraw/zinc/16/00/58/490160058.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000466130776 490167901 /nfs/dbraw/zinc/16/79/01/490167901.db2.gz JBZHZGSLGLTKPC-MSOLQXFVSA-N 2 0 369.554 0.262 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000422126880 490178145 /nfs/dbraw/zinc/17/81/45/490178145.db2.gz XHERRUPVGZLLAB-OAHLLOKOSA-N 2 0 350.463 0.722 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242595 491305330 /nfs/dbraw/zinc/30/53/30/491305330.db2.gz RADVWKCVRSNICT-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248456 491306040 /nfs/dbraw/zinc/30/60/40/491306040.db2.gz ZZHWFBQXTRLERC-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP CCO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@]12CCCO2 ZINC000546137278 490193968 /nfs/dbraw/zinc/19/39/68/490193968.db2.gz NNZQLCYIFARKKD-JZXOWHBKSA-N 2 0 356.511 0.848 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000480637103 490219183 /nfs/dbraw/zinc/21/91/83/490219183.db2.gz AWKWHQJYMHYSLG-DOMZBBRYSA-N 2 0 357.524 0.823 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000521070737 490221855 /nfs/dbraw/zinc/22/18/55/490221855.db2.gz GSCOBVDBKIHRMZ-SOUVJXGZSA-N 2 0 354.495 0.452 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000521412809 490258568 /nfs/dbraw/zinc/25/85/68/490258568.db2.gz APQYNSLJVAPEOA-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC([NH3+])C1 ZINC000571522109 491313027 /nfs/dbraw/zinc/31/30/27/491313027.db2.gz ZYVNFXSBJOILHC-UHFFFAOYSA-N 2 0 369.487 0.508 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000422379271 490287968 /nfs/dbraw/zinc/28/79/68/490287968.db2.gz NUCMJYAYDSDULH-SJORKVTESA-N 2 0 368.522 0.545 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000521675046 490289612 /nfs/dbraw/zinc/28/96/12/490289612.db2.gz ZGVNRLMPGMIQKY-IRXDYDNUSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456082 490330383 /nfs/dbraw/zinc/33/03/83/490330383.db2.gz PWYKCDNQNYRKIL-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@]1(C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707770 490333693 /nfs/dbraw/zinc/33/36/93/490333693.db2.gz USFHBEGRLNILPH-HKUYNNGSSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000534266575 490338914 /nfs/dbraw/zinc/33/89/14/490338914.db2.gz NEOYOJCKYXBMAY-LJQANCHMSA-N 2 0 357.502 0.762 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000571633867 491320004 /nfs/dbraw/zinc/32/00/04/491320004.db2.gz DDRVSRSENYMSAD-ZWKOTPCHSA-N 2 0 356.470 0.541 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC000409626142 490356844 /nfs/dbraw/zinc/35/68/44/490356844.db2.gz QNKWDFMMLDWUKX-DLBZAZTESA-N 2 0 351.495 0.982 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCC1 ZINC000448499078 490358798 /nfs/dbraw/zinc/35/87/98/490358798.db2.gz MFMKTHFOINLRBA-HNNXBMFYSA-N 2 0 364.494 0.620 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000422493619 490359082 /nfs/dbraw/zinc/35/90/82/490359082.db2.gz YRMXDGZULPSIBW-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410880732 490374559 /nfs/dbraw/zinc/37/45/59/490374559.db2.gz AJBCSGHRGVIESJ-QGZVFWFLSA-N 2 0 368.522 0.356 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522445924 490378772 /nfs/dbraw/zinc/37/87/72/490378772.db2.gz ALFSFZRJUOVBJP-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CCCC1 ZINC000564717803 491322259 /nfs/dbraw/zinc/32/22/59/491322259.db2.gz ABWQTYGBLHLYQE-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)COCC(=O)OC)cn2)CC1 ZINC000449083658 490400810 /nfs/dbraw/zinc/40/08/10/490400810.db2.gz UYVNFAWQUAZXTF-HNNXBMFYSA-N 2 0 350.463 0.891 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC)C2)CC1 ZINC000422548551 490403446 /nfs/dbraw/zinc/40/34/46/490403446.db2.gz ZGMCNZPFDPADIN-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000449820094 490429694 /nfs/dbraw/zinc/42/96/94/490429694.db2.gz UAZDKINKLGCIFI-KGZKIYMESA-N 2 0 360.502 0.574 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000422633591 490436371 /nfs/dbraw/zinc/43/63/71/490436371.db2.gz IODPJAKIBQLIJX-VSZNYVQBSA-N 2 0 354.539 0.765 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000509636328 490446180 /nfs/dbraw/zinc/44/61/80/490446180.db2.gz TYMXSXZNJLXUSM-WBVHZDCISA-N 2 0 356.511 0.339 20 0 FCADRP CS[C@@H]1CN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000484626383 490449288 /nfs/dbraw/zinc/44/92/88/490449288.db2.gz ITMYNYFYULIZIQ-MDMSPXHWSA-N 2 0 357.564 0.968 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000509723795 490458565 /nfs/dbraw/zinc/45/85/65/490458565.db2.gz ZJWZSNIVLVTTIQ-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000509760887 490460513 /nfs/dbraw/zinc/46/05/13/490460513.db2.gz TXWKZRNLINITDN-ZDUSSCGKSA-N 2 0 363.462 0.559 20 0 FCADRP CC1CC[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000523471738 490468318 /nfs/dbraw/zinc/46/83/18/490468318.db2.gz WQISHPVUOMOJFS-MRXNPFEDSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000509831472 490469577 /nfs/dbraw/zinc/46/95/77/490469577.db2.gz CBKWCCBYCJJWGL-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770981 490474940 /nfs/dbraw/zinc/47/49/40/490474940.db2.gz QYTRATFOQSVSFY-DOTOQJQBSA-N 2 0 353.488 0.925 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000523676168 490485246 /nfs/dbraw/zinc/48/52/46/490485246.db2.gz FVQRPCXOTQMQGL-YYIAUSFCSA-N 2 0 350.507 0.966 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889607 490491878 /nfs/dbraw/zinc/49/18/78/490491878.db2.gz PWVRGZGSXPPRJE-HUUCEWRRSA-N 2 0 354.495 0.237 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000523750867 490492594 /nfs/dbraw/zinc/49/25/94/490492594.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 0 369.554 0.668 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422985561 490511730 /nfs/dbraw/zinc/51/17/30/490511730.db2.gz FGTIWEGFLDRPOZ-UHFFFAOYSA-N 2 0 355.504 0.907 20 0 FCADRP CC1[C@@H](C(=O)N2CC[NH+]3CCC2CC3)[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000451096931 490514993 /nfs/dbraw/zinc/51/49/93/490514993.db2.gz CLJNMEHOFSCYHH-QZTJIDSGSA-N 2 0 360.502 0.482 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC1 ZINC000500438420 490515843 /nfs/dbraw/zinc/51/58/43/490515843.db2.gz DMEJXGCERMBFJI-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500452208 490517533 /nfs/dbraw/zinc/51/75/33/490517533.db2.gz AVWISHWYTRMGKL-OAHLLOKOSA-N 2 0 366.506 0.299 20 0 FCADRP C[S@@](=O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000524190997 490523223 /nfs/dbraw/zinc/52/32/23/490523223.db2.gz MJXWMIAOQFAWAU-RUZDIDTESA-N 2 0 367.519 0.662 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000423055149 490531972 /nfs/dbraw/zinc/53/19/72/490531972.db2.gz CUPZLZWZICICRA-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)CCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000548699464 490532183 /nfs/dbraw/zinc/53/21/83/490532183.db2.gz XMFIEHOWPDFWGS-UHFFFAOYSA-N 2 0 363.524 0.617 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000571872474 491333922 /nfs/dbraw/zinc/33/39/22/491333922.db2.gz DZOOJFMIWSGETF-NUJGCVRESA-N 2 0 358.486 0.915 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000423060466 490533777 /nfs/dbraw/zinc/53/37/77/490533777.db2.gz OLPULEMUITULNQ-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000423062064 490533880 /nfs/dbraw/zinc/53/38/80/490533880.db2.gz SFYLNYIWGLPTMC-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485809056 490560038 /nfs/dbraw/zinc/56/00/38/490560038.db2.gz CBJJBXKTGUAVKE-MRXNPFEDSA-N 2 0 364.494 0.822 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000485827858 490561343 /nfs/dbraw/zinc/56/13/43/490561343.db2.gz JCVNAKHSLZVXHY-JKSUJKDBSA-N 2 0 364.494 0.776 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524817937 490563437 /nfs/dbraw/zinc/56/34/37/490563437.db2.gz DRKTWCNQMWGHBL-OAQYLSRUSA-N 2 0 374.529 0.767 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214940 490571469 /nfs/dbraw/zinc/57/14/69/490571469.db2.gz GLRNUUWVVNMQBV-RDJZCZTQSA-N 2 0 365.522 0.879 20 0 FCADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCOC)C2)CC[N@@H+]1CCOC ZINC000501070558 490576434 /nfs/dbraw/zinc/57/64/34/490576434.db2.gz FKMYPRWYUYFLDT-DLBZAZTESA-N 2 0 356.511 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)CC2(C)C)CC1=O ZINC000501341238 490597720 /nfs/dbraw/zinc/59/77/20/490597720.db2.gz OSGZQTUBEWMONP-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000564947316 491338994 /nfs/dbraw/zinc/33/89/94/491338994.db2.gz JTVHLOPZWFLUPN-CJNGLKHVSA-N 2 0 357.458 0.351 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000550003180 490619414 /nfs/dbraw/zinc/61/94/14/490619414.db2.gz WIPZESXVLKTWOI-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501598654 490621150 /nfs/dbraw/zinc/62/11/50/490621150.db2.gz OGRZWBOAWYWXCQ-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501604367 490622427 /nfs/dbraw/zinc/62/24/27/490622427.db2.gz XNEVTQHNCXIZBY-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501637637 490630082 /nfs/dbraw/zinc/63/00/82/490630082.db2.gz JFGINNWDLIUSEJ-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643390 490630139 /nfs/dbraw/zinc/63/01/39/490630139.db2.gz VWVPXAJFXTWMAS-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000486475787 490636239 /nfs/dbraw/zinc/63/62/39/490636239.db2.gz BEQSEQRTOAFOTR-CVEARBPZSA-N 2 0 353.511 0.555 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815065 490636572 /nfs/dbraw/zinc/63/65/72/490636572.db2.gz FOOFZCPSOMHQNA-CVEARBPZSA-N 2 0 353.511 0.603 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2F ZINC000525882418 490645284 /nfs/dbraw/zinc/64/52/84/490645284.db2.gz MBGQTVIMNNMROR-UHFFFAOYSA-N 2 0 350.438 0.667 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550294292 490656362 /nfs/dbraw/zinc/65/63/62/490656362.db2.gz CTYUWPZWUQYYHF-ZBFHGGJFSA-N 2 0 350.507 0.964 20 0 FCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000564989122 491344282 /nfs/dbraw/zinc/34/42/82/491344282.db2.gz RCJKPJWMIVVHQE-AWEZNQCLSA-N 2 0 369.487 0.400 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(=O)OC)cn1 ZINC000502075574 490674839 /nfs/dbraw/zinc/67/48/39/490674839.db2.gz OJTOQGZFRYLRIE-CQSZACIVSA-N 2 0 363.462 0.751 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000572059418 491345872 /nfs/dbraw/zinc/34/58/72/491345872.db2.gz GYZSKRYNSYAAPG-JKSUJKDBSA-N 2 0 351.495 0.452 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](CC)CC ZINC000565039960 491347366 /nfs/dbraw/zinc/34/73/66/491347366.db2.gz HHPDLBNNCHSSMN-BRWVUGGUSA-N 2 0 365.522 0.854 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nnc2ccccc2c1=O ZINC000502607291 490712300 /nfs/dbraw/zinc/71/23/00/490712300.db2.gz GEYLRDGTUGOQHU-UHFFFAOYSA-N 2 0 374.489 0.524 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)CC1=O ZINC000487499869 490715581 /nfs/dbraw/zinc/71/55/81/490715581.db2.gz MQXDUMPZZRGXOL-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000572111557 491349111 /nfs/dbraw/zinc/34/91/11/491349111.db2.gz DDPRRTRZZNKGLN-CYBMUJFWSA-N 2 0 364.446 0.442 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000527374017 490720949 /nfs/dbraw/zinc/72/09/49/490720949.db2.gz UIKBVTRZGWMJSB-UHFFFAOYSA-N 2 0 372.473 0.763 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487596800 490720981 /nfs/dbraw/zinc/72/09/81/490720981.db2.gz KJKZNZVYPYZBKE-IAGOWNOFSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000557015956 491349738 /nfs/dbraw/zinc/34/97/38/491349738.db2.gz SDAAUVYIIIWBJI-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000502915763 490729721 /nfs/dbraw/zinc/72/97/21/490729721.db2.gz BNKAKGVSTSDSAX-YESZJQIVSA-N 2 0 356.511 0.584 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000488073953 490744372 /nfs/dbraw/zinc/74/43/72/490744372.db2.gz MMAWZBDMDNTBMP-MSOLQXFVSA-N 2 0 354.539 0.731 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000513927881 490754236 /nfs/dbraw/zinc/75/42/36/490754236.db2.gz NCNIIWKHLHGNNE-INIZCTEOSA-N 2 0 353.511 0.714 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCC1 ZINC000503488631 490759228 /nfs/dbraw/zinc/75/92/28/490759228.db2.gz OJVGDKMUZPUHOV-UHFFFAOYSA-N 2 0 365.522 0.810 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210875 490766057 /nfs/dbraw/zinc/76/60/57/490766057.db2.gz KQYAPGASFDZWAW-ZWKOTPCHSA-N 3 0 354.539 0.877 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000527969405 490769824 /nfs/dbraw/zinc/76/98/24/490769824.db2.gz XEGLJIBQVLYGNJ-UHFFFAOYSA-N 2 0 354.495 0.605 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000488689036 490771900 /nfs/dbraw/zinc/77/19/00/490771900.db2.gz POOQQPFEGIXBLM-INIZCTEOSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000514601258 490774268 /nfs/dbraw/zinc/77/42/68/490774268.db2.gz ZTUQYAXJSCLKSH-HIFRSBDPSA-N 2 0 350.467 0.407 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851630 490779025 /nfs/dbraw/zinc/77/90/25/490779025.db2.gz JIZKLBNKFNMNQP-FJIDUMEYSA-N 2 0 351.539 0.994 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000514788288 490787967 /nfs/dbraw/zinc/78/79/67/490787967.db2.gz HWOPHPDEIDHVMT-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000514848283 490792108 /nfs/dbraw/zinc/79/21/08/490792108.db2.gz SRKRIGGEKQGKLL-CVEARBPZSA-N 2 0 365.522 0.761 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000515187276 490812537 /nfs/dbraw/zinc/81/25/37/490812537.db2.gz VXVCBSCAVMISSI-IAGOWNOFSA-N 2 0 373.501 0.121 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000572241156 491357859 /nfs/dbraw/zinc/35/78/59/491357859.db2.gz BDHDWCIZBKBWCJ-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP CC[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000515381345 490822853 /nfs/dbraw/zinc/82/28/53/490822853.db2.gz IFKKEPPTHFKQQI-MSOLQXFVSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H](CNC(=O)CSCC(=O)NC[C@@H](C)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000540474474 490824525 /nfs/dbraw/zinc/82/45/25/490824525.db2.gz VTKKXQNOKGELBB-HZPDHXFCSA-N 2 0 370.563 0.921 20 0 FCADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498642 490829143 /nfs/dbraw/zinc/82/91/43/490829143.db2.gz AEGQXLCOPCQNHN-CJNGLKHVSA-N 2 0 356.426 0.307 20 0 FCADRP CO[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1O ZINC000515507775 490829900 /nfs/dbraw/zinc/82/99/00/490829900.db2.gz UZRUFJCQASGERZ-IAGOWNOFSA-N 2 0 365.499 0.865 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000515836980 490839890 /nfs/dbraw/zinc/83/98/90/490839890.db2.gz KUEWMLYXTLPITI-YJBOKZPZSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC[C@H]1COCC[NH2+]1 ZINC000529311952 490849886 /nfs/dbraw/zinc/84/98/86/490849886.db2.gz DSOFPESDLBQHOZ-KRWDZBQOSA-N 2 0 362.474 0.431 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000572306514 491361813 /nfs/dbraw/zinc/36/18/13/491361813.db2.gz GDNIAWAKNYSEBR-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000529374289 490857483 /nfs/dbraw/zinc/85/74/83/490857483.db2.gz DXPQCXRGWVAICY-KZNAEPCWSA-N 2 0 362.474 0.157 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000529377924 490858406 /nfs/dbraw/zinc/85/84/06/490858406.db2.gz HXKIPTAFLZSFDJ-INMHGKMJSA-N 2 0 354.495 0.506 20 0 FCADRP C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1 ZINC000541693198 490869525 /nfs/dbraw/zinc/86/95/25/490869525.db2.gz KBVQXWIISIWRPG-CVEARBPZSA-N 2 0 359.474 0.625 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@H]21 ZINC000516651073 490872818 /nfs/dbraw/zinc/87/28/18/490872818.db2.gz OFYZUXPWCLKAFZ-RCCFBDPRSA-N 2 0 362.518 0.907 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]21 ZINC000516651070 490873017 /nfs/dbraw/zinc/87/30/17/490873017.db2.gz OFYZUXPWCLKAFZ-FGTMMUONSA-N 2 0 362.518 0.907 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]21 ZINC000516651072 490873033 /nfs/dbraw/zinc/87/30/33/490873033.db2.gz OFYZUXPWCLKAFZ-OKZBNKHCSA-N 2 0 362.518 0.907 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516912885 490884444 /nfs/dbraw/zinc/88/44/44/490884444.db2.gz OHESRGGMHWVKDP-QGZVFWFLSA-N 3 0 369.554 0.271 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000516922618 490884899 /nfs/dbraw/zinc/88/48/99/490884899.db2.gz KEVYBVPLKYRQKW-QZTJIDSGSA-N 2 0 352.523 0.366 20 0 FCADRP CNC(=O)NC1CC[NH+](CCCC[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC000516924645 490885340 /nfs/dbraw/zinc/88/53/40/490885340.db2.gz UYENQSGZPFABKD-UHFFFAOYSA-N 2 0 368.526 0.553 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NCC1CC[NH2+]CC1 ZINC000517020125 490891138 /nfs/dbraw/zinc/89/11/38/490891138.db2.gz JQUMMRJNSDRDKB-IBGZPJMESA-N 2 0 372.513 0.783 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517019581 490891197 /nfs/dbraw/zinc/89/11/97/490891197.db2.gz QRLKQDVMMGZDFE-MRXNPFEDSA-N 2 0 365.522 0.714 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000530377548 490902188 /nfs/dbraw/zinc/90/21/88/490902188.db2.gz PWOIXZKTNRIQQM-WBMJQRKESA-N 2 0 369.535 0.823 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000517341158 490904649 /nfs/dbraw/zinc/90/46/49/490904649.db2.gz TWGIRLGQMWPQNB-GJZGRUSLSA-N 2 0 352.866 0.912 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000517341156 490904784 /nfs/dbraw/zinc/90/47/84/490904784.db2.gz TWGIRLGQMWPQNB-CABCVRRESA-N 2 0 352.866 0.912 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000530641699 490917115 /nfs/dbraw/zinc/91/71/15/490917115.db2.gz BQIGFWHHFAPIAR-UHFFFAOYSA-N 2 0 356.492 0.041 20 0 FCADRP CC1(C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000557276949 491364442 /nfs/dbraw/zinc/36/44/42/491364442.db2.gz FGOVDQZOLNJVGW-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000517998528 490927656 /nfs/dbraw/zinc/92/76/56/490927656.db2.gz YGNHREFEOARGIE-IXDOHACOSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000530881326 490929892 /nfs/dbraw/zinc/92/98/92/490929892.db2.gz RIAAUWVSEODEHS-KRWDZBQOSA-N 2 0 374.485 0.457 20 0 FCADRP C[C@H](CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380832 490931333 /nfs/dbraw/zinc/93/13/33/490931333.db2.gz RNSJRDAEMKAOBW-HZPDHXFCSA-N 2 0 353.511 0.890 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000518246580 490934799 /nfs/dbraw/zinc/93/47/99/490934799.db2.gz ODGNMPKMFGXDPQ-QGZVFWFLSA-N 2 0 370.538 0.650 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000518290452 490936214 /nfs/dbraw/zinc/93/62/14/490936214.db2.gz JEIMQLNSVGDBHG-UHFFFAOYSA-N 2 0 353.511 0.714 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000531118785 490941599 /nfs/dbraw/zinc/94/15/99/490941599.db2.gz DAJPJECJPLCQSQ-UHFFFAOYSA-N 2 0 356.492 0.624 20 0 FCADRP C[NH+](C)CC1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000543696337 490941924 /nfs/dbraw/zinc/94/19/24/490941924.db2.gz ORJZKTFJWGSTPD-INIZCTEOSA-N 2 0 367.538 0.995 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000518540315 490944581 /nfs/dbraw/zinc/94/45/81/490944581.db2.gz GQDNUZSASSXGPL-SOLBZPMBSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000519531474 490974408 /nfs/dbraw/zinc/97/44/08/490974408.db2.gz HWKISODSXVQWNK-GOSISDBHSA-N 2 0 362.474 0.947 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000519679423 490983733 /nfs/dbraw/zinc/98/37/33/490983733.db2.gz BSQYXTVSYNNLIE-HNNXBMFYSA-N 2 0 363.510 0.907 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000519691283 490984167 /nfs/dbraw/zinc/98/41/67/490984167.db2.gz RWLPSFPXOGRLIR-BZPMIXESSA-N 2 0 363.428 0.747 20 0 FCADRP COC(=O)CNC(=O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000602747332 491996907 /nfs/dbraw/zinc/99/69/07/491996907.db2.gz IWRWJXRTIPGXCP-UHFFFAOYSA-N 2 0 362.474 0.596 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1CCC[NH+](C)C1)C2 ZINC000553997896 491168372 /nfs/dbraw/zinc/16/83/72/491168372.db2.gz GBORTPQMBSOHON-XYTVBORESA-N 2 0 365.522 0.711 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569571609 491168987 /nfs/dbraw/zinc/16/89/87/491168987.db2.gz LNMLHUKFQIZXTR-SFHVURJKSA-N 2 0 373.501 0.944 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000569695184 491182531 /nfs/dbraw/zinc/18/25/31/491182531.db2.gz JWTDGTHROVHMQM-IBGZPJMESA-N 2 0 371.529 0.775 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@@H](C)O1 ZINC000562743308 491186341 /nfs/dbraw/zinc/18/63/41/491186341.db2.gz DUMLXUUZSPWQHZ-HUUCEWRRSA-N 2 0 374.485 0.886 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000557382087 491371374 /nfs/dbraw/zinc/37/13/74/491371374.db2.gz SZLBTKZWFZCLHY-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000572509525 491375375 /nfs/dbraw/zinc/37/53/75/491375375.db2.gz NUDCGWQSQCBYRP-HZPDHXFCSA-N 2 0 356.511 0.402 20 0 FCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000572510468 491375588 /nfs/dbraw/zinc/37/55/88/491375588.db2.gz OTBABPLARPYTGK-ZDUSSCGKSA-N 2 0 354.476 0.019 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@H]2C)CC1=O ZINC000565439906 491376996 /nfs/dbraw/zinc/37/69/96/491376996.db2.gz XIJTVIAXRIIDFI-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCS1 ZINC000572605962 491380817 /nfs/dbraw/zinc/38/08/17/491380817.db2.gz USQGCLYWXVKSNJ-HNNXBMFYSA-N 2 0 358.552 0.538 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565200 491383638 /nfs/dbraw/zinc/38/36/38/491383638.db2.gz XEOQMTIENWIZDC-GOEBONIOSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000565615494 491389611 /nfs/dbraw/zinc/38/96/11/491389611.db2.gz FYHYJVCXVBQQDN-HOTGVXAUSA-N 2 0 356.511 0.450 20 0 FCADRP Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000565647579 491390750 /nfs/dbraw/zinc/39/07/50/491390750.db2.gz UVTCQPRXKPVAFQ-QGZVFWFLSA-N 2 0 361.490 0.616 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000572740842 491390883 /nfs/dbraw/zinc/39/08/83/491390883.db2.gz ODLFCGOURWXUMT-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000572802335 491394510 /nfs/dbraw/zinc/39/45/10/491394510.db2.gz GQVXIESDQJXBMY-UHFFFAOYSA-N 2 0 372.473 0.763 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000557768070 491397048 /nfs/dbraw/zinc/39/70/48/491397048.db2.gz DXLBNMUIPSAAJK-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885614 491399941 /nfs/dbraw/zinc/39/99/41/491399941.db2.gz HNXCETJMXGZLKP-QZTJIDSGSA-N 2 0 372.517 0.837 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000572968414 491404649 /nfs/dbraw/zinc/40/46/49/491404649.db2.gz HCNVGQVJZDPQEE-UHFFFAOYSA-N 2 0 367.538 0.108 20 0 FCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CN1CCN1CCOCC1 ZINC000572990497 491405790 /nfs/dbraw/zinc/40/57/90/491405790.db2.gz CGXANMPRIDOUGI-CADBVGFASA-N 2 0 364.534 0.820 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573073820 491410723 /nfs/dbraw/zinc/41/07/23/491410723.db2.gz GDWUWDKNLSXLBA-MOPGFXCFSA-N 2 0 357.502 0.808 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573202219 491418877 /nfs/dbraw/zinc/41/88/77/491418877.db2.gz QPDPZIXNKQRXOB-ROUUACIJSA-N 2 0 358.486 0.932 20 0 FCADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000573221457 491420462 /nfs/dbraw/zinc/42/04/62/491420462.db2.gz DCEFHOYGWUSCGT-MVJTYMMSSA-N 2 0 373.501 0.940 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@H](C)O1 ZINC000566157421 491421687 /nfs/dbraw/zinc/42/16/87/491421687.db2.gz HATKDFNNFZBLQB-GJZGRUSLSA-N 2 0 364.494 0.588 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566190680 491424404 /nfs/dbraw/zinc/42/44/04/491424404.db2.gz IFSQDMFIAUEKPE-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP NC(=O)[C@@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000566207540 491425844 /nfs/dbraw/zinc/42/58/44/491425844.db2.gz GRVZNTLBDDZPLJ-JKSUJKDBSA-N 2 0 360.458 0.129 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511292 491437918 /nfs/dbraw/zinc/43/79/18/491437918.db2.gz BXQHHOVTHYWPJS-NVXWUHKLSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000573547202 491439785 /nfs/dbraw/zinc/43/97/85/491439785.db2.gz XQPIDOOFYBBIFC-MNEFBYGVSA-N 2 0 372.513 0.874 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000573701530 491449208 /nfs/dbraw/zinc/44/92/08/491449208.db2.gz BQRHBXFTQDDDIY-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000573724061 491450534 /nfs/dbraw/zinc/45/05/34/491450534.db2.gz NTETYZAYJKMCRQ-YRGYVZGLSA-N 2 0 362.518 0.714 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520098 491451333 /nfs/dbraw/zinc/45/13/33/491451333.db2.gz VJUUJANIIISRIL-IRXDYDNUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000566618211 491456311 /nfs/dbraw/zinc/45/63/11/491456311.db2.gz YJPRHIDAXOHOEC-LWYYNNOASA-N 2 0 370.582 0.540 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000566695196 491461312 /nfs/dbraw/zinc/46/13/12/491461312.db2.gz BDQXEXJPVHRXAF-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)N(C)C)CCN1C ZINC000559360641 491466864 /nfs/dbraw/zinc/46/68/64/491466864.db2.gz MKIHDHOUSYUMDZ-HUUCEWRRSA-N 2 0 350.463 0.797 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CC[NH+](C)CC1 ZINC000566795915 491467370 /nfs/dbraw/zinc/46/73/70/491467370.db2.gz XRJLEPMKQUAPKW-MRXNPFEDSA-N 2 0 351.499 0.019 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1=O ZINC000566800007 491468083 /nfs/dbraw/zinc/46/80/83/491468083.db2.gz RDDAOFJSTQBJFY-AWEZNQCLSA-N 2 0 374.489 0.060 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000559405673 491470711 /nfs/dbraw/zinc/47/07/11/491470711.db2.gz OPMUMZKEOZMLAC-BPQIPLTHSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000574050168 491471262 /nfs/dbraw/zinc/47/12/62/491471262.db2.gz CRCNBBIHGUECQX-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000559440179 491473215 /nfs/dbraw/zinc/47/32/15/491473215.db2.gz OJYHUAOGZRAGEQ-QGZVFWFLSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000559441191 491473472 /nfs/dbraw/zinc/47/34/72/491473472.db2.gz QMVDXXRCBLSWBF-QGZVFWFLSA-N 2 0 370.538 0.506 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441094 491473645 /nfs/dbraw/zinc/47/36/45/491473645.db2.gz KDULEBHLMVSJLD-DOTOQJQBSA-N 2 0 366.506 0.060 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566904860 491474317 /nfs/dbraw/zinc/47/43/17/491474317.db2.gz YIXAUWSQKVTJEH-CEXWTWQISA-N 2 0 357.502 0.663 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911779 491474641 /nfs/dbraw/zinc/47/46/41/491474641.db2.gz MXOOUNIQEKIFPA-NQIIRXRSSA-N 2 0 372.513 0.977 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559464000 491475534 /nfs/dbraw/zinc/47/55/34/491475534.db2.gz WIYSQDVOAXPWOQ-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000559466187 491476066 /nfs/dbraw/zinc/47/60/66/491476066.db2.gz XPZDHXMOMCMQIC-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145935 491477447 /nfs/dbraw/zinc/47/74/47/491477447.db2.gz QZVCTALNRCEEKQ-UXLLHSPISA-N 2 0 366.506 0.202 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000567118144 491486713 /nfs/dbraw/zinc/48/67/13/491486713.db2.gz FOZUKVUCOJMGFO-UHFFFAOYSA-N 2 0 366.506 0.335 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000567194295 491491937 /nfs/dbraw/zinc/49/19/37/491491937.db2.gz RQKKACOBIYYQEQ-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000559775330 491498935 /nfs/dbraw/zinc/49/89/35/491498935.db2.gz FYXYRUCSZKBTRI-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000559792600 491500013 /nfs/dbraw/zinc/50/00/13/491500013.db2.gz MGHZACFVKHCFMG-KRWDZBQOSA-N 2 0 367.538 0.119 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000574549432 491504659 /nfs/dbraw/zinc/50/46/59/491504659.db2.gz TZUSQAQERSPXNG-RTBURBONSA-N 2 0 372.513 0.865 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868915 491506773 /nfs/dbraw/zinc/50/67/73/491506773.db2.gz YDYDMRDURGHKFN-JKIFEVAISA-N 2 0 356.536 0.339 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585405 491507015 /nfs/dbraw/zinc/50/70/15/491507015.db2.gz VLJANOFPMLVLKD-KZNAEPCWSA-N 2 0 356.470 0.812 20 0 FCADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567481337 491508970 /nfs/dbraw/zinc/50/89/70/491508970.db2.gz OQXRUJPURQOZHX-ZACQAIPSSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C[NH+]1CCCC1 ZINC000560014421 491514423 /nfs/dbraw/zinc/51/44/23/491514423.db2.gz XZJPCBFEWPCCIQ-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000560015410 491515030 /nfs/dbraw/zinc/51/50/30/491515030.db2.gz GQEBOOZAIDRSDR-IRXDYDNUSA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560021429 491515698 /nfs/dbraw/zinc/51/56/98/491515698.db2.gz AFDNCNNAWCTCLW-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cc(F)cc3c2OCOC3)CC1 ZINC000567677351 491522847 /nfs/dbraw/zinc/52/28/47/491522847.db2.gz RGWQHGUXVIRZKY-QGZVFWFLSA-N 2 0 353.438 0.433 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567754804 491527342 /nfs/dbraw/zinc/52/73/42/491527342.db2.gz SHKWRLLVQKURMR-ROUUACIJSA-N 2 0 360.502 0.861 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1nnnc1-c1ccsc1 ZINC000575047879 491535779 /nfs/dbraw/zinc/53/57/79/491535779.db2.gz FKNDMZOMLKFGMZ-UHFFFAOYSA-N 2 0 351.480 0.353 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000575052581 491536165 /nfs/dbraw/zinc/53/61/65/491536165.db2.gz CCMFNXFAQGIEDU-NVXWUHKLSA-N 2 0 352.479 0.335 20 0 FCADRP COC[C@@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CC[NH2+]C1 ZINC000567972747 491544113 /nfs/dbraw/zinc/54/41/13/491544113.db2.gz LYOHGPXJJHFPIJ-LJQANCHMSA-N 2 0 365.474 0.878 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1=O ZINC000567982822 491544491 /nfs/dbraw/zinc/54/44/91/491544491.db2.gz SXRVQJMNFTUGJN-VEYWMJLUSA-N 2 0 362.518 0.666 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000575202759 491545463 /nfs/dbraw/zinc/54/54/63/491545463.db2.gz FWRKNILXIXGNLE-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000575200554 491545481 /nfs/dbraw/zinc/54/54/81/491545481.db2.gz BMCKNTHAVCEMSX-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000568200046 491558984 /nfs/dbraw/zinc/55/89/84/491558984.db2.gz OQWVWJKJSUIOMS-UHFFFAOYSA-N 2 0 350.511 0.592 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+](C)C1 ZINC000568225465 491561138 /nfs/dbraw/zinc/56/11/38/491561138.db2.gz IBNJYCBSYKLQRO-JKSUJKDBSA-N 2 0 369.531 0.767 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000568249426 491562054 /nfs/dbraw/zinc/56/20/54/491562054.db2.gz QDEQYGOYJZOFPK-HZPDHXFCSA-N 2 0 367.519 0.393 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000560932619 491565706 /nfs/dbraw/zinc/56/57/06/491565706.db2.gz JRMQAMALXHTISJ-WSTZPKSXSA-N 2 0 369.550 0.891 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568286849 491566925 /nfs/dbraw/zinc/56/69/25/491566925.db2.gz IEOYATNYSKGFDT-QZTJIDSGSA-N 2 0 373.501 0.982 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000575888678 491568110 /nfs/dbraw/zinc/56/81/10/491568110.db2.gz FYLAUHCFUFUBDS-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CN1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000575900240 491568668 /nfs/dbraw/zinc/56/86/68/491568668.db2.gz SDXJWBGVBTWJHJ-ROUUACIJSA-N 2 0 373.501 0.504 20 0 FCADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@]23C[C@H]2CC[NH2+]3)n1 ZINC000577055287 491584714 /nfs/dbraw/zinc/58/47/14/491584714.db2.gz ILWCNBIDUVUDJV-COJSNBRMSA-N 2 0 362.453 0.670 20 0 FCADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC1 ZINC000561218160 491585080 /nfs/dbraw/zinc/58/50/80/491585080.db2.gz WHJVHYIZIKLMFG-UHFFFAOYSA-N 2 0 373.501 0.772 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000584399791 491586321 /nfs/dbraw/zinc/58/63/21/491586321.db2.gz UOQYREZCIMORPJ-HNNXBMFYSA-N 2 0 351.426 0.159 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000584410942 491587683 /nfs/dbraw/zinc/58/76/83/491587683.db2.gz ZATJLDAYGIJCLK-IRXDYDNUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@H]1[NH3+] ZINC000577085004 491588733 /nfs/dbraw/zinc/58/87/33/491588733.db2.gz QKHMMDBMPMHLGK-LSDHHAIUSA-N 2 0 368.547 0.660 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000561256838 491590522 /nfs/dbraw/zinc/59/05/22/491590522.db2.gz SIZDAXBDPGISQY-HNNXBMFYSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000584464507 491594480 /nfs/dbraw/zinc/59/44/80/491594480.db2.gz RRYHDZDTIHKLRK-XGXHKWSGSA-N 2 0 370.497 0.915 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000577171768 491597679 /nfs/dbraw/zinc/59/76/79/491597679.db2.gz GJRYXCHQNMXIDS-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520255 491599987 /nfs/dbraw/zinc/59/99/87/491599987.db2.gz LKKKHMAQMYSETJ-UONOGXRCSA-N 2 0 352.479 0.302 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000561355568 491600600 /nfs/dbraw/zinc/60/06/00/491600600.db2.gz DMPKMNZPDSJOEQ-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000577200731 491601239 /nfs/dbraw/zinc/60/12/39/491601239.db2.gz XSNPXBWQWQHFQR-KDURUIRLSA-N 2 0 372.513 0.987 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000576513714 491621169 /nfs/dbraw/zinc/62/11/69/491621169.db2.gz CAPAMRLAZTYGQV-RBUKOAKNSA-N 2 0 360.502 0.860 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@H]2C1 ZINC000577421714 491621339 /nfs/dbraw/zinc/62/13/39/491621339.db2.gz JEVWRVUOWZEBKQ-HOCLYGCPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000561721461 491627331 /nfs/dbraw/zinc/62/73/31/491627331.db2.gz CVOLQOXEEZVPMM-QGZVFWFLSA-N 2 0 353.507 0.916 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000576589846 491627419 /nfs/dbraw/zinc/62/74/19/491627419.db2.gz FPXJVTYLBLRLOG-LBPRGKRZSA-N 2 0 354.476 0.722 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CCN2C1=O ZINC000577510150 491628396 /nfs/dbraw/zinc/62/83/96/491628396.db2.gz WOBSGXYDCKNSCG-IRXDYDNUSA-N 2 0 374.510 0.619 20 0 FCADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745876 491628557 /nfs/dbraw/zinc/62/85/57/491628557.db2.gz CEECOHCXTXZGHS-NXOAAHMSSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000576602660 491628812 /nfs/dbraw/zinc/62/88/12/491628812.db2.gz WEGXSBKEFQCGHP-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577637704 491639015 /nfs/dbraw/zinc/63/90/15/491639015.db2.gz BGLCPDRTGFIYBS-LMMKCTJWSA-N 2 0 353.470 0.869 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1[NH2+]CCc2ccccc21 ZINC000576730266 491640612 /nfs/dbraw/zinc/64/06/12/491640612.db2.gz OJQNJRUVOFVGQJ-LSDHHAIUSA-N 2 0 356.392 0.826 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766881 491643096 /nfs/dbraw/zinc/64/30/96/491643096.db2.gz ZOGUTGWLXZQYMQ-OALUTQOASA-N 2 0 354.539 0.565 20 0 FCADRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577714684 491644457 /nfs/dbraw/zinc/64/44/57/491644457.db2.gz SZZMOAKYVUWIMA-IEBWSBKVSA-N 2 0 358.486 0.942 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000576787469 491645024 /nfs/dbraw/zinc/64/50/24/491645024.db2.gz ZZSPEQDHIYPRGH-ZBFHGGJFSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000569266347 491647693 /nfs/dbraw/zinc/64/76/93/491647693.db2.gz UYHWOVYLYAIAFS-CVEARBPZSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000569334076 491653230 /nfs/dbraw/zinc/65/32/30/491653230.db2.gz WPSNUBXPBSTVFV-HNNXBMFYSA-N 2 0 351.495 0.324 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000569356610 491655660 /nfs/dbraw/zinc/65/56/60/491655660.db2.gz HBVSJOKDWDIQJF-AWEZNQCLSA-N 2 0 371.445 0.186 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000577851418 491656810 /nfs/dbraw/zinc/65/68/10/491656810.db2.gz BICWEEYFGOQTRY-CVEARBPZSA-N 2 0 371.547 0.734 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411426 491659662 /nfs/dbraw/zinc/65/96/62/491659662.db2.gz IEJLSNPGIROKAE-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576987025 491662738 /nfs/dbraw/zinc/66/27/38/491662738.db2.gz STJLCKNYAKUFIJ-MOPGFXCFSA-N 2 0 357.502 0.800 20 0 FCADRP CN1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000578051352 491668853 /nfs/dbraw/zinc/66/88/53/491668853.db2.gz SCUZGMMXYZIJSR-IBGZPJMESA-N 2 0 374.533 0.483 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000578066771 491669029 /nfs/dbraw/zinc/66/90/29/491669029.db2.gz FNBKVPDUPMMQBM-QGZVFWFLSA-N 2 0 362.474 0.502 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000578497676 491678455 /nfs/dbraw/zinc/67/84/55/491678455.db2.gz UDRFUPNGAODJLF-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542948 491679452 /nfs/dbraw/zinc/67/94/52/491679452.db2.gz IQYZHOZVKRYLDK-SJORKVTESA-N 2 0 350.507 0.907 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542946 491679557 /nfs/dbraw/zinc/67/95/57/491679557.db2.gz IQYZHOZVKRYLDK-IAGOWNOFSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610391 491680715 /nfs/dbraw/zinc/68/07/15/491680715.db2.gz PFKCHLUHHYNIKD-HHARLNAUSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000578692789 491682421 /nfs/dbraw/zinc/68/24/21/491682421.db2.gz GRHNFAJXQWMJKC-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000578914710 491686944 /nfs/dbraw/zinc/68/69/44/491686944.db2.gz JKRGXWKIGQRJRC-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000578985424 491688297 /nfs/dbraw/zinc/68/82/97/491688297.db2.gz SQGPRLOUOPZGTO-KFWWJZLASA-N 2 0 350.467 0.259 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccco1 ZINC000579333619 491695505 /nfs/dbraw/zinc/69/55/05/491695505.db2.gz QSUTZTCUYYQSBQ-GJZGRUSLSA-N 2 0 350.463 0.976 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000673673329 493356848 /nfs/dbraw/zinc/35/68/48/493356848.db2.gz UUVURULLRKOWIU-GOSISDBHSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCCCC2)(N2CCOCC2)CC1 ZINC000579807716 491705603 /nfs/dbraw/zinc/70/56/03/491705603.db2.gz UVWLVGMIRBQWMT-UHFFFAOYSA-N 2 0 367.538 0.568 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](CC)O1 ZINC000579944050 491710539 /nfs/dbraw/zinc/71/05/39/491710539.db2.gz MICXEMDRQIMVIV-HOTGVXAUSA-N 2 0 356.511 0.354 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584711106 491711104 /nfs/dbraw/zinc/71/11/04/491711104.db2.gz JHLTZEDIVARTCB-IUODEOHRSA-N 2 0 352.866 0.879 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000580058040 491715255 /nfs/dbraw/zinc/71/52/55/491715255.db2.gz RTSRTEIUZZAXMG-IRXDYDNUSA-N 2 0 366.506 0.300 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584828828 491716072 /nfs/dbraw/zinc/71/60/72/491716072.db2.gz CZOZIQVEKMNUQJ-ZIAGYGMSSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000580143404 491719217 /nfs/dbraw/zinc/71/92/17/491719217.db2.gz LMHPBFYJIMPMDT-HPFXQQBRSA-N 2 0 371.485 0.705 20 0 FCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580531646 491734560 /nfs/dbraw/zinc/73/45/60/491734560.db2.gz CSJGGOIOZWQNRD-IBGZPJMESA-N 2 0 357.502 0.734 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580529214 491734750 /nfs/dbraw/zinc/73/47/50/491734750.db2.gz WXWQRUQGTUHKBR-INIZCTEOSA-N 2 0 374.485 0.840 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccsc1 ZINC000580785771 491745814 /nfs/dbraw/zinc/74/58/14/491745814.db2.gz OBXPBCBDIXPRHX-MGPQQGTHSA-N 2 0 351.476 0.304 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580889703 491750455 /nfs/dbraw/zinc/75/04/55/491750455.db2.gz BIRLTTDFJIWCHZ-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542707 493360248 /nfs/dbraw/zinc/36/02/48/493360248.db2.gz FZBHJTSHILQDCJ-WMZOPIPTSA-N 2 0 371.485 0.673 20 0 FCADRP O=C(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)N1CC[NH2+]CC1 ZINC000581000934 491754768 /nfs/dbraw/zinc/75/47/68/491754768.db2.gz KIGKSTVOEZKDQQ-UHFFFAOYSA-N 2 0 369.535 0.079 20 0 FCADRP CN1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)[C@H](C[NH3+])C1 ZINC000581061342 491757561 /nfs/dbraw/zinc/75/75/61/491757561.db2.gz SKIGFLKNRZMVEG-LLVKDONJSA-N 2 0 371.367 0.532 20 0 FCADRP CSC1(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+](C)CC1 ZINC000589715877 491765721 /nfs/dbraw/zinc/76/57/21/491765721.db2.gz HYEIDIHCEXAWLZ-UHFFFAOYSA-N 2 0 358.552 0.912 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000581370134 491770242 /nfs/dbraw/zinc/77/02/42/491770242.db2.gz KMXNYBVWDPPLHG-VBNZEHGJSA-N 2 0 366.487 0.722 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000581370131 491770281 /nfs/dbraw/zinc/77/02/81/491770281.db2.gz KMXNYBVWDPPLHG-APHBMKBZSA-N 2 0 366.487 0.722 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000581432164 491772843 /nfs/dbraw/zinc/77/28/43/491772843.db2.gz MHUPPRHKAAVVRR-UHFFFAOYSA-N 2 0 370.461 0.602 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000581542422 491776950 /nfs/dbraw/zinc/77/69/50/491776950.db2.gz QNYHHIPGTGDVBN-GTPINHCMSA-N 2 0 365.522 0.713 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581683132 491782626 /nfs/dbraw/zinc/78/26/26/491782626.db2.gz CAMSZEUMZSQISR-OAGGEKHMSA-N 2 0 356.511 0.448 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000581723580 491784138 /nfs/dbraw/zinc/78/41/38/491784138.db2.gz KBVDMTNUCDYNFG-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891535 491789193 /nfs/dbraw/zinc/78/91/93/491789193.db2.gz OBZJKKKIUKLFNX-QUCCMNQESA-N 2 0 358.486 0.996 20 0 FCADRP CCc1nsc(N2CCCN(C[C@@H](O)C[N@H+](C)CCOC)CC2)n1 ZINC000581951723 491791526 /nfs/dbraw/zinc/79/15/26/491791526.db2.gz LHHRMTKVCKMGFF-AWEZNQCLSA-N 2 0 357.524 0.552 20 0 FCADRP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000582067599 491796809 /nfs/dbraw/zinc/79/68/09/491796809.db2.gz APKNAIHTOMJEEN-GJZGRUSLSA-N 2 0 363.510 0.941 20 0 FCADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000591412590 491805126 /nfs/dbraw/zinc/80/51/26/491805126.db2.gz BTJGYHFUSPXZGL-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476476 491814030 /nfs/dbraw/zinc/81/40/30/491814030.db2.gz ZHQRWHRQINAUFX-RHSMWYFYSA-N 2 0 356.536 0.821 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CCN2C1=O ZINC000582555952 491817671 /nfs/dbraw/zinc/81/76/71/491817671.db2.gz AAAFHIQYVMDQKT-IAGOWNOFSA-N 2 0 351.410 0.631 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740278 491824769 /nfs/dbraw/zinc/82/47/69/491824769.db2.gz KDZMEEVYOTWVGY-GUYCJALGSA-N 2 0 354.520 0.140 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668501089 493365673 /nfs/dbraw/zinc/36/56/73/493365673.db2.gz IZSDVYMFAVEDDY-WBVHZDCISA-N 2 0 366.506 0.347 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583592441 491848316 /nfs/dbraw/zinc/84/83/16/491848316.db2.gz IVJSAGHTZJFQMA-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583629911 491848908 /nfs/dbraw/zinc/84/89/08/491848908.db2.gz SUVKHXHAXVYPEZ-ZDUSSCGKSA-N 2 0 354.418 0.204 20 0 FCADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000583802035 491852247 /nfs/dbraw/zinc/85/22/47/491852247.db2.gz PBDXGBFWBVOGQN-PVAVHDDUSA-N 2 0 366.485 0.974 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000583806721 491852382 /nfs/dbraw/zinc/85/23/82/491852382.db2.gz VEQIFZZNLVEIBW-RCCFBDPRSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583820066 491852754 /nfs/dbraw/zinc/85/27/54/491852754.db2.gz ZZWKTONJDFDCJF-HDICACEKSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000583862119 491853396 /nfs/dbraw/zinc/85/33/96/491853396.db2.gz CKGHNHPIFLZGPM-UKRRQHHQSA-N 2 0 352.479 0.302 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881711 491854095 /nfs/dbraw/zinc/85/40/95/491854095.db2.gz JIWNQYAUZFTTAN-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000584147160 491859572 /nfs/dbraw/zinc/85/95/72/491859572.db2.gz PCPWIXOQTOFGRL-UZLBHIALSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000611642292 491864700 /nfs/dbraw/zinc/86/47/00/491864700.db2.gz WQKJRAIHPMAPOJ-HRCADAONSA-N 2 0 350.507 0.964 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000611954461 491884968 /nfs/dbraw/zinc/88/49/68/491884968.db2.gz BSBKEDZJOGUVAO-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263551 491908865 /nfs/dbraw/zinc/90/88/65/491908865.db2.gz FEVRAEHPEKNLKF-IRXDYDNUSA-N 2 0 372.473 0.251 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000612546246 491932191 /nfs/dbraw/zinc/93/21/91/491932191.db2.gz QQRWUAKSUOSICF-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612893214 491957283 /nfs/dbraw/zinc/95/72/83/491957283.db2.gz SPEDKDGVRNIHBD-SFHVURJKSA-N 2 0 353.511 0.664 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612907994 491958231 /nfs/dbraw/zinc/95/82/31/491958231.db2.gz AJAGPKKCBLOGHS-GJZGRUSLSA-N 2 0 363.510 0.658 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612988291 491961233 /nfs/dbraw/zinc/96/12/33/491961233.db2.gz PXCMITDWYMKKFB-QGZVFWFLSA-N 2 0 368.522 0.897 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000597226095 492023681 /nfs/dbraw/zinc/02/36/81/492023681.db2.gz QZZDPMPIOPIMCD-IAGOWNOFSA-N 2 0 365.522 0.855 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CCC[NH+]1C ZINC000614866454 492061947 /nfs/dbraw/zinc/06/19/47/492061947.db2.gz WYFYQZDMXLOLHH-QGZVFWFLSA-N 2 0 372.469 0.767 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274010 492083793 /nfs/dbraw/zinc/08/37/93/492083793.db2.gz JNACGNGJHVWOES-NRFANRHFSA-N 2 0 372.513 0.329 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274045 492084105 /nfs/dbraw/zinc/08/41/05/492084105.db2.gz KHDNRVGSQRVJEZ-FQEVSTJZSA-N 2 0 371.529 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CC1=O ZINC000615311483 492085641 /nfs/dbraw/zinc/08/56/41/492085641.db2.gz ZWRSHVBFILTXAD-QBPKDAKJSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000605576467 492099530 /nfs/dbraw/zinc/09/95/30/492099530.db2.gz ZPNRVSVYGJQCLT-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000605882095 492104972 /nfs/dbraw/zinc/10/49/72/492104972.db2.gz NZEVCDQTAWXMQI-MRXNPFEDSA-N 2 0 354.495 0.651 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633828 492125277 /nfs/dbraw/zinc/12/52/77/492125277.db2.gz WMWLPQNTXPGUQO-SJORKVTESA-N 2 0 355.527 0.278 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000607245697 492142267 /nfs/dbraw/zinc/14/22/67/492142267.db2.gz YTEAFQBCGNRGBN-IRXDYDNUSA-N 2 0 370.538 0.879 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000599356063 492163809 /nfs/dbraw/zinc/16/38/09/492163809.db2.gz UQJVXIBWJRCQIJ-BRSBDYLESA-N 2 0 364.534 0.929 20 0 FCADRP CCC[NH+]1CC[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000619898621 492282240 /nfs/dbraw/zinc/28/22/40/492282240.db2.gz LQAPVJQPAINWKW-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000619900058 492282249 /nfs/dbraw/zinc/28/22/49/492282249.db2.gz RMEIYEXFZBHRCT-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427500 492292308 /nfs/dbraw/zinc/29/23/08/492292308.db2.gz GYMXOLUDGAEUQZ-NVXWUHKLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641741427 492301915 /nfs/dbraw/zinc/30/19/15/492301915.db2.gz JIVOHQMNRRISTD-GOSISDBHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641779918 492303987 /nfs/dbraw/zinc/30/39/87/492303987.db2.gz TVFNVLIUZMIPRZ-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627460035 492304777 /nfs/dbraw/zinc/30/47/77/492304777.db2.gz YAPXXHJSDUCUNH-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627468882 492308307 /nfs/dbraw/zinc/30/83/07/492308307.db2.gz GEIMZKBMTRLVRQ-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627468835 492308398 /nfs/dbraw/zinc/30/83/98/492308398.db2.gz FJYHQQUTXCTWBR-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP CN1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1(C)C ZINC000641824260 492309825 /nfs/dbraw/zinc/30/98/25/492309825.db2.gz HMFOULMEANJSCM-JKSUJKDBSA-N 2 0 362.449 0.631 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473278 492311210 /nfs/dbraw/zinc/31/12/10/492311210.db2.gz KSCKFWFHAIBYJI-IKGGRYGDSA-N 2 0 366.506 0.204 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)CC1 ZINC000627483466 492317566 /nfs/dbraw/zinc/31/75/66/492317566.db2.gz GGUJAFLTQWXQMD-YZUHTNEWSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000641995889 492327031 /nfs/dbraw/zinc/32/70/31/492327031.db2.gz QVYVPLRHRNNHMR-QGZVFWFLSA-N 2 0 353.511 0.034 20 0 FCADRP CN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000634226735 492327911 /nfs/dbraw/zinc/32/79/11/492327911.db2.gz CZYWDJVDABILSP-GOSISDBHSA-N 2 0 373.501 0.724 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000654640102 492328275 /nfs/dbraw/zinc/32/82/75/492328275.db2.gz ZIQRAQFYXLSHBG-CYBMUJFWSA-N 2 0 353.471 0.291 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000634240081 492329825 /nfs/dbraw/zinc/32/98/25/492329825.db2.gz BPKJIAOVAXAYLC-UHFFFAOYSA-N 2 0 373.501 0.644 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253920 492345552 /nfs/dbraw/zinc/34/55/52/492345552.db2.gz QMXKHWCEJSUFNV-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000642255311 492345797 /nfs/dbraw/zinc/34/57/97/492345797.db2.gz JCTQVEXZDYXCEP-SQWLQELKSA-N 2 0 366.462 0.353 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254045 492345920 /nfs/dbraw/zinc/34/59/20/492345920.db2.gz ZZWGOIXOAXTKAN-FUHWJXTLSA-N 2 0 358.486 0.868 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253857 492345964 /nfs/dbraw/zinc/34/59/64/492345964.db2.gz LQKZWOFCFOLUNC-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706204 492347929 /nfs/dbraw/zinc/34/79/29/492347929.db2.gz FNWURBSDWJWGSP-FHWLQOOXSA-N 2 0 359.470 0.555 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642356704 492354636 /nfs/dbraw/zinc/35/46/36/492354636.db2.gz PLNBYCBCRRATBR-MRXNPFEDSA-N 2 0 354.495 0.250 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105063 492355873 /nfs/dbraw/zinc/35/58/73/492355873.db2.gz KPKLTDKCSJQXFQ-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000642425004 492357638 /nfs/dbraw/zinc/35/76/38/492357638.db2.gz GEWOINJIGHLISG-UHFFFAOYSA-N 2 0 358.486 0.883 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000642439385 492358104 /nfs/dbraw/zinc/35/81/04/492358104.db2.gz DMLMOBHHMMYBMB-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1=O ZINC000621153063 492358904 /nfs/dbraw/zinc/35/89/04/492358904.db2.gz JZUCXPCROOJFLN-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1=O ZINC000621153060 492359089 /nfs/dbraw/zinc/35/90/89/492359089.db2.gz JZUCXPCROOJFLN-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000642645880 492369961 /nfs/dbraw/zinc/36/99/61/492369961.db2.gz CUFCVQPQAFOGHK-QGZVFWFLSA-N 2 0 358.486 0.535 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642645418 492370108 /nfs/dbraw/zinc/37/01/08/492370108.db2.gz KBSYTBWUJUYBEE-BZUAXINKSA-N 2 0 354.495 0.332 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@H]1CCC[NH2+]1 ZINC000647905666 492380680 /nfs/dbraw/zinc/38/06/80/492380680.db2.gz LLPAOFIXBGDPKV-WNRNVDISSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000642732174 492382339 /nfs/dbraw/zinc/38/23/39/492382339.db2.gz RWDFJJRKVLNFLG-GDBMZVCRSA-N 2 0 354.495 0.332 20 0 FCADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642733858 492382407 /nfs/dbraw/zinc/38/24/07/492382407.db2.gz WTNVUXOMTQLZTP-QGZVFWFLSA-N 2 0 358.486 0.664 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642732676 492382621 /nfs/dbraw/zinc/38/26/21/492382621.db2.gz MKAGNOFFWRSHSN-YESZJQIVSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000642733852 492382725 /nfs/dbraw/zinc/38/27/25/492382725.db2.gz VAVQVBDODNHUEB-RYQLBKOJSA-N 2 0 374.485 0.514 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000642732685 492382985 /nfs/dbraw/zinc/38/29/85/492382985.db2.gz QAQNWAGVOLWBRY-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978729 492390500 /nfs/dbraw/zinc/39/05/00/492390500.db2.gz XIFNJKOSJCWTFE-ZWKOTPCHSA-N 2 0 372.517 0.837 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642787185 492391442 /nfs/dbraw/zinc/39/14/42/492391442.db2.gz GFOFLVKSNTUEEM-INIZCTEOSA-N 2 0 359.474 0.673 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000642787234 492392035 /nfs/dbraw/zinc/39/20/35/492392035.db2.gz XPDPIYTYFXAWLL-GOSISDBHSA-N 2 0 373.501 0.871 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000627826195 492393303 /nfs/dbraw/zinc/39/33/03/492393303.db2.gz QVKXNLVHTBZPKE-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000642800061 492395761 /nfs/dbraw/zinc/39/57/61/492395761.db2.gz JOOKZNMSJVKYJX-ZWKOTPCHSA-N 2 0 360.502 0.993 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000642808981 492396891 /nfs/dbraw/zinc/39/68/91/492396891.db2.gz YKIKMOISKAQKND-MRXNPFEDSA-N 2 0 350.438 0.632 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000635123519 492397028 /nfs/dbraw/zinc/39/70/28/492397028.db2.gz USDDPNHOOMLSAO-UHFFFAOYSA-N 2 0 354.426 0.725 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000642906035 492401038 /nfs/dbraw/zinc/40/10/38/492401038.db2.gz YVAPCSGWAKFZLZ-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C([C@@H]1C[NH2+]CCOC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119105 492401976 /nfs/dbraw/zinc/40/19/76/492401976.db2.gz OMXPOFITFKUIJE-ZIAGYGMSSA-N 2 0 350.488 0.850 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918533 492403640 /nfs/dbraw/zinc/40/36/40/492403640.db2.gz YCVABSQJJNSPPZ-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980018 492410130 /nfs/dbraw/zinc/41/01/30/492410130.db2.gz UUPMIVQZFWQABA-INIZCTEOSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838025 492421548 /nfs/dbraw/zinc/42/15/48/492421548.db2.gz WMHGSGJBEDWFSX-ABSDTBQOSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)([NH+](C)C)C1 ZINC000621839373 492422358 /nfs/dbraw/zinc/42/23/58/492422358.db2.gz RQEUEEAFKAMIMD-VVWQDTPRSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839150 492422625 /nfs/dbraw/zinc/42/26/25/492422625.db2.gz OMYRUIIECNBOPH-BEFAXECRSA-N 2 0 366.506 0.332 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845807 492425972 /nfs/dbraw/zinc/42/59/72/492425972.db2.gz PTEOCZKXXRJLHT-BEFAXECRSA-N 2 0 362.449 0.714 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028518 492443153 /nfs/dbraw/zinc/44/31/53/492443153.db2.gz RHKKFJUWRCPXHN-YZVOILCLSA-N 2 0 364.490 0.038 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028277 492443667 /nfs/dbraw/zinc/44/36/67/492443667.db2.gz OUUMWVWMIIBMTI-YJBOKZPZSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000655467197 492445025 /nfs/dbraw/zinc/44/50/25/492445025.db2.gz KJFJPPHRDPBMEJ-RYRKJORJSA-N 2 0 371.547 0.734 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)CC1 ZINC000655494389 492447581 /nfs/dbraw/zinc/44/75/81/492447581.db2.gz ANDZHSQMYZNUDG-GOEBONIOSA-N 2 0 364.494 0.313 20 0 FCADRP C[NH+](C)CC1(C(=O)NCCN(C(=O)C2(C[NH+](C)C)CC2)C2CC2)CC1 ZINC000635467879 492453164 /nfs/dbraw/zinc/45/31/64/492453164.db2.gz QTMHOUPBEWIVSB-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643453478 492466295 /nfs/dbraw/zinc/46/62/95/492466295.db2.gz FAAFPNOAQZQWGA-NVXWUHKLSA-N 2 0 354.520 0.112 20 0 FCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000635566752 492474241 /nfs/dbraw/zinc/47/42/41/492474241.db2.gz YMIVRTQISDGNMF-HNNXBMFYSA-N 2 0 350.507 0.729 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478831 /nfs/dbraw/zinc/47/88/31/492478831.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 2 0 352.523 0.807 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643486717 492479093 /nfs/dbraw/zinc/47/90/93/492479093.db2.gz FDNMZOOEBLPIMH-RDJZCZTQSA-N 2 0 368.522 0.532 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)o1 ZINC000643494315 492481305 /nfs/dbraw/zinc/48/13/05/492481305.db2.gz QHFYMPOZKZUUSF-WBVHZDCISA-N 2 0 362.474 0.689 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000643494595 492481467 /nfs/dbraw/zinc/48/14/67/492481467.db2.gz HRHZSGRGVSAYTH-HRCADAONSA-N 2 0 352.479 0.038 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCO1 ZINC000643494243 492481528 /nfs/dbraw/zinc/48/15/28/492481528.db2.gz WLFKYJMJMCVWOI-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643511160 492485356 /nfs/dbraw/zinc/48/53/56/492485356.db2.gz GGJIDQKZMATBKV-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643524408 492490347 /nfs/dbraw/zinc/49/03/47/492490347.db2.gz WJQCYCKAZYXXSK-HOCLYGCPSA-N 2 0 364.515 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643531720 492490657 /nfs/dbraw/zinc/49/06/57/492490657.db2.gz ARWBCGPVYHTOTA-NJAFHUGGSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000643531881 492491742 /nfs/dbraw/zinc/49/17/42/492491742.db2.gz RFVJRLFMBOEXJA-XLIONFOSSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000643531860 492492432 /nfs/dbraw/zinc/49/24/32/492492432.db2.gz QOGBIBJHEZVKRJ-SOLBZPMBSA-N 2 0 358.486 0.928 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643532531 492493032 /nfs/dbraw/zinc/49/30/32/492493032.db2.gz SCTCENOPJSIGHG-KZNAEPCWSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643539818 492493513 /nfs/dbraw/zinc/49/35/13/492493513.db2.gz VIKFVYHQCXTADO-BBWFWOEESA-N 2 0 366.506 0.156 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000643549826 492496834 /nfs/dbraw/zinc/49/68/34/492496834.db2.gz TYUXYZCLUDBRLG-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@H]21 ZINC000643549678 492496879 /nfs/dbraw/zinc/49/68/79/492496879.db2.gz BALZTOZFWYSCRN-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)[C@H]2C1 ZINC000643549992 492497498 /nfs/dbraw/zinc/49/74/98/492497498.db2.gz OAHYACVRLAZESH-PVAVHDDUSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643549937 492497926 /nfs/dbraw/zinc/49/79/26/492497926.db2.gz BVIUXGKLUJQYKL-PLYYQAHHSA-N 2 0 374.460 0.631 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC[C@H]21 ZINC000643549853 492498061 /nfs/dbraw/zinc/49/80/61/492498061.db2.gz WRMWEFGEZVWMRT-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643552899 492498140 /nfs/dbraw/zinc/49/81/40/492498140.db2.gz VRSSLPRWHZPIDF-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000643553787 492498871 /nfs/dbraw/zinc/49/88/71/492498871.db2.gz PIRAWQAXULAFIC-YESZJQIVSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643593007 492503159 /nfs/dbraw/zinc/50/31/59/492503159.db2.gz HQMFRDOJTWOJMQ-UHFFFAOYSA-N 2 0 350.463 0.900 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000649296011 492524667 /nfs/dbraw/zinc/52/46/67/492524667.db2.gz SCZRKCKAZNDHEE-GOSISDBHSA-N 2 0 374.485 0.840 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)nn1 ZINC000649309562 492528718 /nfs/dbraw/zinc/52/87/18/492528718.db2.gz WUPKENDVFRXEBV-YQQAZPJKSA-N 2 0 362.478 0.067 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934288 492530751 /nfs/dbraw/zinc/53/07/51/492530751.db2.gz OOKRIMDQUHXEBK-DOTOQJQBSA-N 2 0 366.506 0.299 20 0 FCADRP COc1ccc(CN2CC[C@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1 ZINC000635959034 492533767 /nfs/dbraw/zinc/53/37/67/492533767.db2.gz AWYPNRVOAAXHEU-FQEVSTJZSA-N 2 0 372.513 0.975 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000649335646 492538140 /nfs/dbraw/zinc/53/81/40/492538140.db2.gz PZKKJOCJGYKQKK-SFHVURJKSA-N 2 0 360.502 0.585 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347303 492542590 /nfs/dbraw/zinc/54/25/90/492542590.db2.gz PIYXTYDHFGYBDS-GJZGRUSLSA-N 2 0 370.457 1.000 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347332 492543052 /nfs/dbraw/zinc/54/30/52/492543052.db2.gz QWZQVIZALSPIJT-CABCVRRESA-N 2 0 360.458 0.601 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000656084135 492545614 /nfs/dbraw/zinc/54/56/14/492545614.db2.gz VGNPEGIUUFOLBK-HOTGVXAUSA-N 2 0 350.507 0.872 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649412406 492552424 /nfs/dbraw/zinc/55/24/24/492552424.db2.gz IPJIJVSMNJYMIJ-QGZVFWFLSA-N 2 0 354.539 0.925 20 0 FCADRP O=C(CNC1CC[NH+]([C@H]2CCOC2)CC1)NCC[NH+]1CCCCCC1 ZINC000656259577 492566184 /nfs/dbraw/zinc/56/61/84/492566184.db2.gz ANCLBFTXIQLJLC-SFHVURJKSA-N 2 0 352.523 0.822 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000636522784 492609642 /nfs/dbraw/zinc/60/96/42/492609642.db2.gz NGMFGSKOJZKQJM-DLBZAZTESA-N 2 0 356.511 0.489 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357579 492611750 /nfs/dbraw/zinc/61/17/50/492611750.db2.gz ZMLLTTGCJXWWCG-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000636536379 492612965 /nfs/dbraw/zinc/61/29/65/492612965.db2.gz FWQXYTFBSMSFRW-INIZCTEOSA-N 2 0 350.463 0.493 20 0 FCADRP Nc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000624022098 492613569 /nfs/dbraw/zinc/61/35/69/492613569.db2.gz BSUUCFSIRAKMOJ-UHFFFAOYSA-N 2 0 357.462 0.602 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000624115243 492621544 /nfs/dbraw/zinc/62/15/44/492621544.db2.gz REOFGQGSHADNGK-UHFFFAOYSA-N 2 0 368.522 0.995 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561739 492645305 /nfs/dbraw/zinc/64/53/05/492645305.db2.gz ZCZORRHYDHXAQN-VQTJNVASSA-N 2 0 374.529 0.930 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665023 492653811 /nfs/dbraw/zinc/65/38/11/492653811.db2.gz YTMCYZINTRMMBV-WMLDXEAASA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629581284 492656338 /nfs/dbraw/zinc/65/63/38/492656338.db2.gz UWORMYSRKWIMHO-HOTGVXAUSA-N 2 0 355.504 0.790 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@@H]3[N@@H+]3CC[C@H](O)C3)n2)CC1 ZINC000644228832 492673842 /nfs/dbraw/zinc/67/38/42/492673842.db2.gz TUTIOHXSVILVPF-JZXOWHBKSA-N 2 0 373.501 0.551 20 0 FCADRP COCCOCCN1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000650850467 492675325 /nfs/dbraw/zinc/67/53/25/492675325.db2.gz PZLQIWQYJHXIGI-SJORKVTESA-N 2 0 372.510 0.086 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650849241 492675860 /nfs/dbraw/zinc/67/58/60/492675860.db2.gz FWUAMBQMQJCJLY-MRXNPFEDSA-N 2 0 352.479 0.092 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636747479 492680942 /nfs/dbraw/zinc/68/09/42/492680942.db2.gz PLRCCZFOSFQAKP-HNNXBMFYSA-N 2 0 363.510 0.907 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000629816010 492687538 /nfs/dbraw/zinc/68/75/38/492687538.db2.gz STHQUJBRHDMIST-IRXDYDNUSA-N 2 0 350.507 0.633 20 0 FCADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000636911737 492726960 /nfs/dbraw/zinc/72/69/60/492726960.db2.gz BUTDXYBPEBPYCH-DAYGRLMNSA-N 2 0 354.495 0.242 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000636939819 492733109 /nfs/dbraw/zinc/73/31/09/492733109.db2.gz GRYRZYGFQCFATK-BBWFWOEESA-N 2 0 354.495 0.120 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000636939822 492733230 /nfs/dbraw/zinc/73/32/30/492733230.db2.gz GRYRZYGFQCFATK-IKGGRYGDSA-N 2 0 354.495 0.120 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636960853 492738307 /nfs/dbraw/zinc/73/83/07/492738307.db2.gz NLSBLPDEHPVIKE-QAPCUYQASA-N 2 0 361.490 0.973 20 0 FCADRP CCN1C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317226 492741673 /nfs/dbraw/zinc/74/16/73/492741673.db2.gz GQEKPYFKOVXHMJ-IAGOWNOFSA-N 2 0 367.538 0.912 20 0 FCADRP CCN1C(=O)CO[C@H](C(=O)N2CCC[N@H+](CC)CC2)[C@H]1c1nccn1C ZINC000625395132 492772771 /nfs/dbraw/zinc/77/27/71/492772771.db2.gz DBXXPUORVOZMBD-HOTGVXAUSA-N 2 0 363.462 0.263 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000637202224 492789415 /nfs/dbraw/zinc/78/94/15/492789415.db2.gz IXJMCXNXZDMHOT-INIZCTEOSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637280187 492804300 /nfs/dbraw/zinc/80/43/00/492804300.db2.gz JNKPNSDXVBYAOO-CVEARBPZSA-N 2 0 353.511 0.746 20 0 FCADRP COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990001 492836463 /nfs/dbraw/zinc/83/64/63/492836463.db2.gz PRSGJESJHDZSGU-MUGJNUQGSA-N 2 0 356.514 0.998 20 0 FCADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000631777803 492851203 /nfs/dbraw/zinc/85/12/03/492851203.db2.gz NZAJLOITYORBEU-KRWDZBQOSA-N 2 0 360.568 0.665 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000658261321 492856521 /nfs/dbraw/zinc/85/65/21/492856521.db2.gz LABUNCVACIQXPU-ZDUSSCGKSA-N 2 0 350.467 0.372 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000658263068 492856543 /nfs/dbraw/zinc/85/65/43/492856543.db2.gz GOFYRQUSVCKXJQ-ZDUSSCGKSA-N 2 0 350.467 0.372 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000631803959 492856697 /nfs/dbraw/zinc/85/66/97/492856697.db2.gz QOPPKZQVEYYVKI-KRWDZBQOSA-N 2 0 358.552 0.514 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000631891809 492871282 /nfs/dbraw/zinc/87/12/82/492871282.db2.gz MJUIQMFSXYJOFX-UHFFFAOYSA-N 2 0 370.519 0.349 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645136015 492872351 /nfs/dbraw/zinc/87/23/51/492872351.db2.gz KJSHCWFLZPMKHG-KURKYZTESA-N 2 0 358.486 0.663 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000645183658 492876511 /nfs/dbraw/zinc/87/65/11/492876511.db2.gz LRXXHOWMKDSKNZ-UONOGXRCSA-N 2 0 350.488 0.869 20 0 FCADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631935983 492891474 /nfs/dbraw/zinc/89/14/74/492891474.db2.gz PXLPVSIGAJAQHI-CYBMUJFWSA-N 2 0 372.457 0.228 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631941136 492893199 /nfs/dbraw/zinc/89/31/99/492893199.db2.gz OXBCXEBRMGQPQW-DLBZAZTESA-N 2 0 358.552 0.275 20 0 FCADRP O=C(C[NH+](C1CC1)C1CC1)N1CCN(C(=O)C[NH+](C2CC2)C2CC2)CC1 ZINC000625835894 492893274 /nfs/dbraw/zinc/89/32/74/492893274.db2.gz YBOCSHNBUIGKCY-UHFFFAOYSA-N 2 0 360.502 0.911 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652218694 492895600 /nfs/dbraw/zinc/89/56/00/492895600.db2.gz WWQAPDXXPVEWKA-AWEZNQCLSA-N 2 0 365.444 0.950 20 0 FCADRP COCC1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[NH2+]CC1 ZINC000652218514 492895750 /nfs/dbraw/zinc/89/57/50/492895750.db2.gz NNNSRSGTQPYVRS-ULQDDVLXSA-N 2 0 368.522 0.931 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000638091237 492903485 /nfs/dbraw/zinc/90/34/85/492903485.db2.gz RSBPFLBKBLZDCN-VXNCWWDNSA-N 2 0 352.523 0.770 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638108110 492907772 /nfs/dbraw/zinc/90/77/72/492907772.db2.gz LAHGQKPNDJNNBX-LPHOPBHVSA-N 2 0 362.474 0.361 20 0 FCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652348860 492913222 /nfs/dbraw/zinc/91/32/22/492913222.db2.gz UFZOGYWJDVBASS-QZWWFDLISA-N 2 0 359.536 0.876 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000652352314 492915210 /nfs/dbraw/zinc/91/52/10/492915210.db2.gz BHFWGFNJDGYHAF-LPHOPBHVSA-N 2 0 358.490 0.576 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363179 492916113 /nfs/dbraw/zinc/91/61/13/492916113.db2.gz ZNTFFLUYKXQZDZ-NXHRZFHOSA-N 3 0 352.523 0.948 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140135 492917482 /nfs/dbraw/zinc/91/74/82/492917482.db2.gz VNSKBBHOKVLLKT-IEBWSBKVSA-N 2 0 360.502 0.803 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000632070222 492922532 /nfs/dbraw/zinc/92/25/32/492922532.db2.gz UTXFKJXOWSWFGA-UHFFFAOYSA-N 2 0 372.579 0.950 20 0 FCADRP [NH3+]C1(CC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226409 492924301 /nfs/dbraw/zinc/92/43/01/492924301.db2.gz ILFVTSKRWLYGSL-RBUKOAKNSA-N 2 0 372.513 0.959 20 0 FCADRP Cn1cc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000638247288 492925792 /nfs/dbraw/zinc/92/57/92/492925792.db2.gz WYVJVHBBTKBGFY-PXTPFGJHSA-N 2 0 365.481 0.970 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000632112071 492932821 /nfs/dbraw/zinc/93/28/21/492932821.db2.gz MJUNZWANPNSURS-IRXDYDNUSA-N 2 0 358.552 0.370 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658538633 492936905 /nfs/dbraw/zinc/93/69/05/492936905.db2.gz YBJJFXJCGVOZPG-OAHLLOKOSA-N 2 0 370.413 0.139 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000638343427 492938559 /nfs/dbraw/zinc/93/85/59/492938559.db2.gz SRCWIMCVMMQLLM-QGZVFWFLSA-N 2 0 354.458 0.789 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349558 492939195 /nfs/dbraw/zinc/93/91/95/492939195.db2.gz QCSMXDMBRSLNPR-CVEARBPZSA-N 2 0 365.522 0.711 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)cn1 ZINC000652625662 492972741 /nfs/dbraw/zinc/97/27/41/492972741.db2.gz HAPUGRJEKAPILW-UHFFFAOYSA-N 2 0 356.430 0.668 20 0 FCADRP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1=O ZINC000638720240 492973025 /nfs/dbraw/zinc/97/30/25/492973025.db2.gz SGHXIOMQRBPGDB-SCLBCKFNSA-N 2 0 352.479 0.532 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(C[NH3+])cc2F)cn1 ZINC000652639533 492975322 /nfs/dbraw/zinc/97/53/22/492975322.db2.gz QUPDYEOAZKXUJL-UHFFFAOYSA-N 2 0 362.409 0.297 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652666890 492982254 /nfs/dbraw/zinc/98/22/54/492982254.db2.gz WQLOEAZCCMQIFA-SFHVURJKSA-N 2 0 360.502 0.781 20 0 FCADRP C[C@@H](CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)C1CC[NH2+]CC1 ZINC000638855641 492982830 /nfs/dbraw/zinc/98/28/30/492982830.db2.gz GNFQKDXEMYMXBT-YOEHRIQHSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903950 492985984 /nfs/dbraw/zinc/98/59/84/492985984.db2.gz JGDQJSSBMOPPAU-WMZOPIPTSA-N 2 0 369.473 0.817 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cnn1C ZINC000638985166 492990152 /nfs/dbraw/zinc/99/01/52/492990152.db2.gz BAZQTSQUIMSXNT-SJORKVTESA-N 3 0 369.473 0.475 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941208 492990808 /nfs/dbraw/zinc/99/08/08/492990808.db2.gz UGJWTDLAOKVIEH-CTNGQTDRSA-N 2 0 372.513 0.393 20 0 FCADRP O=C(Cn1cnc2sccc2c1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986908 492990989 /nfs/dbraw/zinc/99/09/89/492990989.db2.gz HEIMEADWFUBXLZ-UHFFFAOYSA-N 2 0 370.438 0.901 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978118 492994886 /nfs/dbraw/zinc/99/48/86/492994886.db2.gz SHHCDTZFGDAXDJ-WMZOPIPTSA-N 2 0 360.506 0.706 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646009439 493000596 /nfs/dbraw/zinc/00/05/96/493000596.db2.gz KBNMUTVHXFPYRH-MJGOQNOKSA-N 2 0 358.486 0.396 20 0 FCADRP C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172075 493000864 /nfs/dbraw/zinc/00/08/64/493000864.db2.gz ICSZXYSXBIGTFA-KRWDZBQOSA-N 2 0 366.531 0.934 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000652725865 493004981 /nfs/dbraw/zinc/00/49/81/493004981.db2.gz WATBHCYIIHOKTR-QGZVFWFLSA-N 2 0 366.506 0.063 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652728833 493006678 /nfs/dbraw/zinc/00/66/78/493006678.db2.gz CNMFAEVLPBYYHN-MWDXBVQZSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000646184955 493023910 /nfs/dbraw/zinc/02/39/10/493023910.db2.gz SHRPLGKIENCHTN-INIZCTEOSA-N 2 0 366.506 0.254 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851495 493055797 /nfs/dbraw/zinc/05/57/97/493055797.db2.gz MXDKEKGLHUIJGT-AZUAARDMSA-N 2 0 361.486 0.716 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653124562 493075311 /nfs/dbraw/zinc/07/53/11/493075311.db2.gz ACTBWAVVSBPVCX-KRWDZBQOSA-N 2 0 360.506 0.885 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)nc2)CC1 ZINC000653124831 493075834 /nfs/dbraw/zinc/07/58/34/493075834.db2.gz ILKYSXZQXBJVLA-LIRRHRJNSA-N 2 0 359.474 0.787 20 0 FCADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638520 493076188 /nfs/dbraw/zinc/07/61/88/493076188.db2.gz CUFZDRZDTYJZCE-INIZCTEOSA-N 2 0 373.501 0.697 20 0 FCADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638644 493076590 /nfs/dbraw/zinc/07/65/90/493076590.db2.gz MNWLUGWRRPZOHL-WBVHZDCISA-N 2 0 374.489 0.092 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CCC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000653147844 493077335 /nfs/dbraw/zinc/07/73/35/493077335.db2.gz CIAVRQMDWILJCK-JKSUJKDBSA-N 2 0 359.536 0.734 20 0 FCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000653164445 493081090 /nfs/dbraw/zinc/08/10/90/493081090.db2.gz MCYHGFBOGOESCE-LTIDMASMSA-N 2 0 361.490 0.264 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000646666680 493081763 /nfs/dbraw/zinc/08/17/63/493081763.db2.gz WZJCPFDQTSSPIF-MSOLQXFVSA-N 2 0 373.501 0.607 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272002 493088127 /nfs/dbraw/zinc/08/81/27/493088127.db2.gz UXRTYPGZTNIKGU-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cn2)CC1 ZINC000632961857 493098312 /nfs/dbraw/zinc/09/83/12/493098312.db2.gz UOIWOWJKRZUBAZ-QGZVFWFLSA-N 2 0 361.494 0.661 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000633034202 493107478 /nfs/dbraw/zinc/10/74/78/493107478.db2.gz XJXDVSUMCCIHLG-HDICACEKSA-N 2 0 371.485 0.335 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000633040445 493108811 /nfs/dbraw/zinc/10/88/11/493108811.db2.gz XMQBCTHSIDJFSU-NVXWUHKLSA-N 2 0 373.501 0.711 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000633038184 493108992 /nfs/dbraw/zinc/10/89/92/493108992.db2.gz ONBZQOWVLQQKLB-GDBMZVCRSA-N 2 0 359.474 0.321 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000627230665 493112024 /nfs/dbraw/zinc/11/20/24/493112024.db2.gz KXOHVWHDOTZBPJ-QGZVFWFLSA-N 2 0 361.494 0.972 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000627233611 493113599 /nfs/dbraw/zinc/11/35/99/493113599.db2.gz BXLDXSQETXPIBN-HNNXBMFYSA-N 2 0 365.482 0.065 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000627246493 493116346 /nfs/dbraw/zinc/11/63/46/493116346.db2.gz MVYRKMYWDPWYJU-RRFJBIMHSA-N 2 0 361.494 0.459 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000653401764 493121659 /nfs/dbraw/zinc/12/16/59/493121659.db2.gz GGQNARJLEBVMMF-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000633106844 493128712 /nfs/dbraw/zinc/12/87/12/493128712.db2.gz XIHDRDYWAURHMU-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633112036 493130577 /nfs/dbraw/zinc/13/05/77/493130577.db2.gz VSBIEMXGCBEAFQ-OTWHNJEPSA-N 2 0 370.497 0.725 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633149383 493136688 /nfs/dbraw/zinc/13/66/88/493136688.db2.gz XFWDPQMGMAWWQK-NXHRZFHOSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)[C@H]2C1 ZINC000659072850 493140024 /nfs/dbraw/zinc/14/00/24/493140024.db2.gz CYRLVNHMPVXBHA-FHLIZLRMSA-N 2 0 372.469 0.839 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627303123 493142570 /nfs/dbraw/zinc/14/25/70/493142570.db2.gz HYHBEAWIHRVILG-ZWKOTPCHSA-N 2 0 374.485 0.119 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627310684 493145495 /nfs/dbraw/zinc/14/54/95/493145495.db2.gz ZLLOUAQHYJIUDY-KRWDZBQOSA-N 2 0 362.474 0.249 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312503 493146868 /nfs/dbraw/zinc/14/68/68/493146868.db2.gz ZXJLPHVXCKVTOD-OIISXLGYSA-N 2 0 360.458 0.043 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659098726 493151111 /nfs/dbraw/zinc/15/11/11/493151111.db2.gz ZKUHBFXVBIAIGM-UHFFFAOYSA-N 2 0 362.478 0.866 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000627326533 493154511 /nfs/dbraw/zinc/15/45/11/493154511.db2.gz SJUMRNXJALOAMA-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627328759 493156230 /nfs/dbraw/zinc/15/62/30/493156230.db2.gz MSZBHXBCMOXLKO-IAGOWNOFSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000659113781 493160364 /nfs/dbraw/zinc/16/03/64/493160364.db2.gz YETYKDQQPDWWPU-LLVKDONJSA-N 2 0 356.854 0.943 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000627338999 493161358 /nfs/dbraw/zinc/16/13/58/493161358.db2.gz WKJPIGYFOOYAAO-SFHVURJKSA-N 2 0 373.501 0.619 20 0 FCADRP [NH3+]CCc1cn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)nn1 ZINC000641017527 493162003 /nfs/dbraw/zinc/16/20/03/493162003.db2.gz NQNUWQBCFCQUGV-UHFFFAOYSA-N 2 0 360.487 0.967 20 0 FCADRP CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000681452785 493171236 /nfs/dbraw/zinc/17/12/36/493171236.db2.gz KJDMCKBPJOWVFH-AWEZNQCLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659427942 493174643 /nfs/dbraw/zinc/17/46/43/493174643.db2.gz UZYUACUJYDBZGL-HNNXBMFYSA-N 2 0 358.446 0.613 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000659433417 493175628 /nfs/dbraw/zinc/17/56/28/493175628.db2.gz DMQCFGMVPBZRBY-UHFFFAOYSA-N 2 0 356.430 0.498 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659435452 493176424 /nfs/dbraw/zinc/17/64/24/493176424.db2.gz IYNPSXVFYIFTND-UHFFFAOYSA-N 2 0 350.467 0.952 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627367215 493181436 /nfs/dbraw/zinc/18/14/36/493181436.db2.gz NGDSAHAOTZIHGD-INIZCTEOSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659286764 493183279 /nfs/dbraw/zinc/18/32/79/493183279.db2.gz DQMFTVLNYPMHBV-INIZCTEOSA-N 2 0 360.462 0.676 20 0 FCADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@H+](C)C(C)C)nn2)c1 ZINC000641224628 493186120 /nfs/dbraw/zinc/18/61/20/493186120.db2.gz WOBCKIQPCHAFAA-MRXNPFEDSA-N 2 0 360.462 0.804 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627380016 493189094 /nfs/dbraw/zinc/18/90/94/493189094.db2.gz FMJKYAMXWGBDNU-HOCLYGCPSA-N 2 0 362.474 0.337 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000659318562 493189830 /nfs/dbraw/zinc/18/98/30/493189830.db2.gz GHTFONRFLILXFW-UHFFFAOYSA-N 2 0 370.538 0.744 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000659318585 493190616 /nfs/dbraw/zinc/19/06/16/493190616.db2.gz OUNDIMLLKSYFLK-QGZVFWFLSA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659318555 493190713 /nfs/dbraw/zinc/19/07/13/493190713.db2.gz FQAVTPUPAMWNGD-KRWDZBQOSA-N 3 0 367.538 0.025 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000627382225 493191176 /nfs/dbraw/zinc/19/11/76/493191176.db2.gz QOYKIUMLNNMFBY-OAHLLOKOSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000627397885 493202529 /nfs/dbraw/zinc/20/25/29/493202529.db2.gz YMJXQOAVKGGFOX-MRXNPFEDSA-N 2 0 366.506 0.396 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538763 493208261 /nfs/dbraw/zinc/20/82/61/493208261.db2.gz LYRZYPVIQWJVQQ-QWHCGFSZSA-N 2 0 351.417 0.606 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659553230 493211198 /nfs/dbraw/zinc/21/11/98/493211198.db2.gz WKTGMCXTZRVFMC-CABCVRRESA-N 2 0 353.511 0.794 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000659581328 493216168 /nfs/dbraw/zinc/21/61/68/493216168.db2.gz JEKHKHWEAMGMTI-JJRVBVJISA-N 2 0 367.444 0.695 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC2)c1 ZINC000666758169 493223276 /nfs/dbraw/zinc/22/32/76/493223276.db2.gz YGBYPRSZALPNJS-UHFFFAOYSA-N 2 0 369.425 0.836 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659646040 493228769 /nfs/dbraw/zinc/22/87/69/493228769.db2.gz KXFZFQMNYJBPJS-AWEZNQCLSA-N 2 0 355.527 0.720 20 0 FCADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000666805531 493228837 /nfs/dbraw/zinc/22/88/37/493228837.db2.gz VLKUFDZEOLQEHS-UHFFFAOYSA-N 2 0 360.458 0.655 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000672697316 493235470 /nfs/dbraw/zinc/23/54/70/493235470.db2.gz QLSQMYSYFRVGGU-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000672719437 493239462 /nfs/dbraw/zinc/23/94/62/493239462.db2.gz QUSKFGIASVTRPK-LBPRGKRZSA-N 2 0 353.467 0.420 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659673382 493243568 /nfs/dbraw/zinc/24/35/68/493243568.db2.gz CGZSDPMSCMGWRB-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659674572 493245632 /nfs/dbraw/zinc/24/56/32/493245632.db2.gz NAYGIYJDEYMWRV-YOEHRIQHSA-N 2 0 362.474 0.672 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000659676174 493246310 /nfs/dbraw/zinc/24/63/10/493246310.db2.gz FPSGSOZCNPLYEE-INIZCTEOSA-N 2 0 362.474 0.065 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000681948491 493256175 /nfs/dbraw/zinc/25/61/75/493256175.db2.gz BBACHSJVRUEHPU-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659693234 493257113 /nfs/dbraw/zinc/25/71/13/493257113.db2.gz DSTGNFFTOIMFPE-INMHGKMJSA-N 2 0 366.506 0.189 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659702799 493262274 /nfs/dbraw/zinc/26/22/74/493262274.db2.gz UXCNQWNJFRSIHC-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP CC1(C)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1CCO ZINC000682011166 493262560 /nfs/dbraw/zinc/26/25/60/493262560.db2.gz QZAINILFAQEFGZ-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP CC[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@H]1[NH3+] ZINC000641658763 493271212 /nfs/dbraw/zinc/27/12/12/493271212.db2.gz FPABUMMOSKZRPB-JHJVBQTASA-N 2 0 351.417 0.591 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659726909 493274219 /nfs/dbraw/zinc/27/42/19/493274219.db2.gz CQDSMBCJYGNXPT-QAPCUYQASA-N 2 0 373.501 0.606 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727162 493274312 /nfs/dbraw/zinc/27/43/12/493274312.db2.gz HSAHQAYDANFZJZ-QZTJIDSGSA-N 2 0 373.501 0.653 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000659735877 493278606 /nfs/dbraw/zinc/27/86/06/493278606.db2.gz KIWPKNLHLOMDJF-OWCLPIDISA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000659747648 493283668 /nfs/dbraw/zinc/28/36/68/493283668.db2.gz GALFDPUFTWFRAD-BPQIPLTHSA-N 2 0 371.485 0.449 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000682271967 493284437 /nfs/dbraw/zinc/28/44/37/493284437.db2.gz DMDWSIFOZNJPMK-AWEZNQCLSA-N 2 0 350.467 0.374 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000667480093 493286064 /nfs/dbraw/zinc/28/60/64/493286064.db2.gz VKVYLISOPJBSDV-MRXNPFEDSA-N 2 0 364.446 0.142 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659754251 493286619 /nfs/dbraw/zinc/28/66/19/493286619.db2.gz CJNDESXTELWJRO-RHSMWYFYSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659756479 493287107 /nfs/dbraw/zinc/28/71/07/493287107.db2.gz RBQSBWUZQUOOSE-RHSMWYFYSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000673275235 493309812 /nfs/dbraw/zinc/30/98/12/493309812.db2.gz OAPXMWFJPZFCPF-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000660093297 493324160 /nfs/dbraw/zinc/32/41/60/493324160.db2.gz XACDSZGUJKXGTB-QRVBRYPASA-N 2 0 358.571 0.395 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000673427651 493327422 /nfs/dbraw/zinc/32/74/22/493327422.db2.gz CCLWRANVXGPKHV-IRXDYDNUSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170756 493332129 /nfs/dbraw/zinc/33/21/29/493332129.db2.gz FWPILKXWYHUPTN-IAGOWNOFSA-N 2 0 366.506 0.252 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979979 493379219 /nfs/dbraw/zinc/37/92/19/493379219.db2.gz KVDSSHBOEUOVEI-CRAIPNDOSA-N 3 0 369.579 0.891 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585541 493380360 /nfs/dbraw/zinc/38/03/60/493380360.db2.gz PPDZMJIJHARBRY-BRWVUGGUSA-N 2 0 364.490 0.099 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[C@@H](NC(=O)C3([NH+](C)C)CC3)C2)CC1 ZINC000668590945 493381412 /nfs/dbraw/zinc/38/14/12/493381412.db2.gz KAZRYPYNOZXVHR-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853373 493386545 /nfs/dbraw/zinc/38/65/45/493386545.db2.gz WPQRIXNIWSTPPT-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668633998 493387655 /nfs/dbraw/zinc/38/76/55/493387655.db2.gz YLIMYEICQNPRFA-HNNXBMFYSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)c1cc(C(=O)N[C@@H](C)CC[NH+](C)C)[nH]n1 ZINC000668693920 493399074 /nfs/dbraw/zinc/39/90/74/493399074.db2.gz YBFBJYVZPIOQMI-BETUJISGSA-N 2 0 352.483 0.550 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668788272 493411351 /nfs/dbraw/zinc/41/13/51/493411351.db2.gz YCLUCXOQAOOHFD-MRXNPFEDSA-N 2 0 368.522 0.593 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000668992006 493447513 /nfs/dbraw/zinc/44/75/13/493447513.db2.gz JYAYWBGVCXNVRO-OAHLLOKOSA-N 2 0 367.538 0.118 20 0 FCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685501068 493498244 /nfs/dbraw/zinc/49/82/44/493498244.db2.gz AYGKDOQPHWYHBU-GOSISDBHSA-N 2 0 371.485 0.863 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291426 493503935 /nfs/dbraw/zinc/50/39/35/493503935.db2.gz RZEYRBZDBJODAE-PBHICJAKSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000669452527 493504292 /nfs/dbraw/zinc/50/42/92/493504292.db2.gz JIVCECGZQIVENQ-KRWDZBQOSA-N 2 0 361.490 0.919 20 0 FCADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000669444055 493504536 /nfs/dbraw/zinc/50/45/36/493504536.db2.gz QBRYVTCKEFHOHG-OAGGEKHMSA-N 2 0 353.511 0.698 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296735 493504532 /nfs/dbraw/zinc/50/45/32/493504532.db2.gz MHZWFQDGGXEHOJ-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486427 493506928 /nfs/dbraw/zinc/50/69/28/493506928.db2.gz FATWCZZYJAXVGG-GVDBMIGSSA-N 2 0 353.511 0.210 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)c1cccc(Cl)c1 ZINC000669513945 493508230 /nfs/dbraw/zinc/50/82/30/493508230.db2.gz DTKZPLBMCUHZCE-ZBFHGGJFSA-N 2 0 350.850 0.763 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC000662352623 493509048 /nfs/dbraw/zinc/50/90/48/493509048.db2.gz YNTWLHVJEOHONT-RYQLBKOJSA-N 2 0 363.506 0.505 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnnn1C1CC[NH2+]CC1 ZINC000662407472 493513727 /nfs/dbraw/zinc/51/37/27/493513727.db2.gz CXDNQGQBUIUPTH-UHFFFAOYSA-N 2 0 356.434 0.260 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C)CC2)c1 ZINC000662446856 493516159 /nfs/dbraw/zinc/51/61/59/493516159.db2.gz QAVDGQJROXNCMP-AWEZNQCLSA-N 2 0 371.445 0.487 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1C ZINC000662492588 493520566 /nfs/dbraw/zinc/52/05/66/493520566.db2.gz YHUHCMDPKWRVEL-RYQLBKOJSA-N 2 0 361.490 0.212 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662561600 493526262 /nfs/dbraw/zinc/52/62/62/493526262.db2.gz SIDMIDUJYJYBOF-ZYHUDNBSSA-N 2 0 360.384 0.053 20 0 FCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577358 493526677 /nfs/dbraw/zinc/52/66/77/493526677.db2.gz HKQJSJBLYUOWCK-USXIJHARSA-N 2 0 365.522 0.744 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717601 493534238 /nfs/dbraw/zinc/53/42/38/493534238.db2.gz PVSCSVCSUUJTEV-KSZLIROESA-N 2 0 374.485 0.364 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662724673 493535457 /nfs/dbraw/zinc/53/54/57/493535457.db2.gz SGVWLGBULJCPDD-ROUUACIJSA-N 2 0 374.485 0.492 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662748086 493537366 /nfs/dbraw/zinc/53/73/66/493537366.db2.gz LDDIZTNGKRQNJC-MRXNPFEDSA-N 2 0 363.510 0.349 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000662757368 493539147 /nfs/dbraw/zinc/53/91/47/493539147.db2.gz LMEVCXUDQQQPDA-QGZVFWFLSA-N 2 0 358.486 0.421 20 0 FCADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662817261 493544848 /nfs/dbraw/zinc/54/48/48/493544848.db2.gz UFTLFIDNWQMGDH-MAUKXSAKSA-N 2 0 361.490 0.947 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845247 493546318 /nfs/dbraw/zinc/54/63/18/493546318.db2.gz GSIQAPOGMQKVTM-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000662939768 493557361 /nfs/dbraw/zinc/55/73/61/493557361.db2.gz IJSXRSNYKRIJGX-UHFFFAOYSA-N 2 0 364.490 0.781 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662941718 493557536 /nfs/dbraw/zinc/55/75/36/493557536.db2.gz AXZKUSBSFPFBPP-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946844 493559193 /nfs/dbraw/zinc/55/91/93/493559193.db2.gz DEENMCNPEMHWPG-RTBURBONSA-N 2 0 372.513 0.972 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000662954360 493560425 /nfs/dbraw/zinc/56/04/25/493560425.db2.gz UUQGBWFVHCLIKC-IBGZPJMESA-N 2 0 372.513 0.972 20 0 FCADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014909 493566679 /nfs/dbraw/zinc/56/66/79/493566679.db2.gz PMUAGHUBZZAFHJ-MRXNPFEDSA-N 2 0 360.506 0.915 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000670671326 493587325 /nfs/dbraw/zinc/58/73/25/493587325.db2.gz OQQNFKQCWDSFIQ-BRWVUGGUSA-N 2 0 366.506 0.202 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670709289 493589394 /nfs/dbraw/zinc/58/93/94/493589394.db2.gz SYAHCIHQLDAJDC-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670787489 493596949 /nfs/dbraw/zinc/59/69/49/493596949.db2.gz CAWZWAOPTDCADT-ZBFHGGJFSA-N 2 0 355.442 0.736 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000663584205 493602075 /nfs/dbraw/zinc/60/20/75/493602075.db2.gz KOOBWZJHIAHEQA-IRXDYDNUSA-N 2 0 350.463 0.443 20 0 FCADRP O=C(NCCCc1nnc[nH]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000663880885 493622832 /nfs/dbraw/zinc/62/28/32/493622832.db2.gz YBHDYIDRKSBVTH-UHFFFAOYSA-N 2 0 372.477 0.644 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033115 493624952 /nfs/dbraw/zinc/62/49/52/493624952.db2.gz FXIBHZARIAZZSF-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091511 493632082 /nfs/dbraw/zinc/63/20/82/493632082.db2.gz NSGOTABJCAOSIQ-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080729 493633457 /nfs/dbraw/zinc/63/34/57/493633457.db2.gz GQRNZUPQNQKCOA-UXHICEINSA-N 2 0 374.529 0.893 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000671102357 493633523 /nfs/dbraw/zinc/63/35/23/493633523.db2.gz YIFMIPFIHPBZDA-ZACQAIPSSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103799 493634275 /nfs/dbraw/zinc/63/42/75/493634275.db2.gz IYVMTPAHELBXIW-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000671134667 493641857 /nfs/dbraw/zinc/64/18/57/493641857.db2.gz IEYLSWZZXMKWJD-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181565 493642469 /nfs/dbraw/zinc/64/24/69/493642469.db2.gz KNTIRTRQWRIYRN-KGLIPLIRSA-N 2 0 353.467 0.500 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000671374251 493661683 /nfs/dbraw/zinc/66/16/83/493661683.db2.gz GVWQZNTUWVACKP-INIZCTEOSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+](C)C ZINC000664884001 493688697 /nfs/dbraw/zinc/68/86/97/493688697.db2.gz UCGDKIKURHTQGW-WZYMTQMTSA-N 2 0 353.511 0.709 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664913473 493689786 /nfs/dbraw/zinc/68/97/86/493689786.db2.gz ZGVBEVFLGVTZCL-HOTGVXAUSA-N 2 0 365.478 0.228 20 0 FCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236406 493706403 /nfs/dbraw/zinc/70/64/03/493706403.db2.gz LWOYKRWCKRMBQG-UHTWSYAYSA-N 2 0 371.279 0.916 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820098 493707767 /nfs/dbraw/zinc/70/77/67/493707767.db2.gz GNGZUBJZRIXRIR-NVXWUHKLSA-N 2 0 367.538 0.070 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000671849291 493708528 /nfs/dbraw/zinc/70/85/28/493708528.db2.gz UBPNSHRHXRJNEH-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665460680 493715956 /nfs/dbraw/zinc/71/59/56/493715956.db2.gz RSOUEHQPLPSDLR-SFHVURJKSA-N 2 0 354.495 0.243 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000671963577 493719629 /nfs/dbraw/zinc/71/96/29/493719629.db2.gz STBMCWQDOONNFC-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099059 493735302 /nfs/dbraw/zinc/73/53/02/493735302.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 2 0 367.538 0.118 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672165604 493739869 /nfs/dbraw/zinc/73/98/69/493739869.db2.gz JWYIJTOYUDLFFW-KRWDZBQOSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000665887249 493742800 /nfs/dbraw/zinc/74/28/00/493742800.db2.gz HRHJKNJICZDCAN-QUCCMNQESA-N 2 0 361.486 0.586 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308751 493753267 /nfs/dbraw/zinc/75/32/67/493753267.db2.gz BFTBGIVAKXDPHL-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672311973 493754703 /nfs/dbraw/zinc/75/47/03/493754703.db2.gz XMRKAKQMUZATNS-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410479934 534019257 /nfs/dbraw/zinc/01/92/57/534019257.db2.gz XMJNHNHQRNXDHP-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886446 534148131 /nfs/dbraw/zinc/14/81/31/534148131.db2.gz URTDQBWMQUCKHJ-IAGOWNOFSA-N 2 0 352.523 0.772 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415757860 518200917 /nfs/dbraw/zinc/20/09/17/518200917.db2.gz HMRYKFMGVSSHPT-FVQHAEBGSA-N 2 0 374.510 0.550 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424520139 536496679 /nfs/dbraw/zinc/49/66/79/536496679.db2.gz KLPOACDSBHRPKM-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000410779954 527802740 /nfs/dbraw/zinc/80/27/40/527802740.db2.gz NSHWABPZYDJZDD-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000410494961 527823881 /nfs/dbraw/zinc/82/38/81/527823881.db2.gz UBDDVXZZYHRWTJ-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000410483021 528139371 /nfs/dbraw/zinc/13/93/71/528139371.db2.gz CLPDTTYYRJOTPH-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000410477375 528145302 /nfs/dbraw/zinc/14/53/02/528145302.db2.gz TUZWCDXKQBNHIL-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000410434816 528247986 /nfs/dbraw/zinc/24/79/86/528247986.db2.gz PELGPIXWXIELDY-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410807092 528433960 /nfs/dbraw/zinc/43/39/60/528433960.db2.gz HKFAIKSLLDITSY-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410799094 528446072 /nfs/dbraw/zinc/44/60/72/528446072.db2.gz DDAJWPUMIVWMSX-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP CC(C)[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCN(C)CC1 ZINC000173911518 528457479 /nfs/dbraw/zinc/45/74/79/528457479.db2.gz JIELMEXMTQKDJW-MRXNPFEDSA-N 2 0 365.526 0.838 20 0 FCADRP CC1(C)NC(=O)N(CCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000420390296 534978860 /nfs/dbraw/zinc/97/88/60/534978860.db2.gz ZHYVZAKOIIHIOJ-CABCVRRESA-N 2 0 352.479 0.925 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419698577 535071662 /nfs/dbraw/zinc/07/16/62/535071662.db2.gz PVONFDVJTRUNSV-ARFHVFGLSA-N 2 0 368.522 0.842 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419150808 535076108 /nfs/dbraw/zinc/07/61/08/535076108.db2.gz LUMCZEXEYQVBQA-BBWFWOEESA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419130129 535076878 /nfs/dbraw/zinc/07/68/78/535076878.db2.gz AQMCLELXEUIHSR-QFBILLFUSA-N 2 0 350.507 0.683 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419908854 535158560 /nfs/dbraw/zinc/15/85/60/535158560.db2.gz JYRZSZYIAIYNIC-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639973 535206835 /nfs/dbraw/zinc/20/68/35/535206835.db2.gz VXDYEFBLSCONID-OLZOCXBDSA-N 2 0 352.401 0.048 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000419966620 535304367 /nfs/dbraw/zinc/30/43/67/535304367.db2.gz YTOJQUNKIKTUAQ-LSDHHAIUSA-N 2 0 354.495 0.188 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423416264 535503654 /nfs/dbraw/zinc/50/36/54/535503654.db2.gz QGZSZGQSULLSQY-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419168087 535509162 /nfs/dbraw/zinc/50/91/62/535509162.db2.gz JZLMCCXMASQALL-AEFFLSMTSA-N 2 0 360.502 0.781 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423513579 535542886 /nfs/dbraw/zinc/54/28/86/535542886.db2.gz CKQHIFQZPZZSBY-HOTGVXAUSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419342354 535556564 /nfs/dbraw/zinc/55/65/64/535556564.db2.gz PFHGTKPDIADGIC-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419349107 535556572 /nfs/dbraw/zinc/55/65/72/535556572.db2.gz YFMJACQSXBRIDO-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000418937217 535669310 /nfs/dbraw/zinc/66/93/10/535669310.db2.gz FWXKMSGWOVFAJS-HUUCEWRRSA-N 2 0 350.463 0.895 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1)CC1CC1 ZINC000423482003 535713861 /nfs/dbraw/zinc/71/38/61/535713861.db2.gz XIKQTVNQDFQXCV-KRWDZBQOSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375238 535739700 /nfs/dbraw/zinc/73/97/00/535739700.db2.gz WEHCFNAXOYDTLJ-YKTARERQSA-N 2 0 352.523 0.661 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420092240 535856238 /nfs/dbraw/zinc/85/62/38/535856238.db2.gz VRVXASSICUZTAB-HOTGVXAUSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419655020 535902709 /nfs/dbraw/zinc/90/27/09/535902709.db2.gz HBSVKHQKTIEMPT-INIZCTEOSA-N 2 0 362.474 0.154 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423615735 536367376 /nfs/dbraw/zinc/36/73/76/536367376.db2.gz VHNGIRLVSIWWGJ-GBESFXJTSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419221462 536368970 /nfs/dbraw/zinc/36/89/70/536368970.db2.gz AQJSBOHGSHRUNE-JQHSSLGASA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613921 536416490 /nfs/dbraw/zinc/41/64/90/536416490.db2.gz RXEYAZUYOHHBEX-RXVVDRJESA-N 2 0 370.497 0.931 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480755 536416547 /nfs/dbraw/zinc/41/65/47/536416547.db2.gz PQZFIMOOQCLKQY-KSZLIROESA-N 2 0 356.470 0.397 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415318744 536416811 /nfs/dbraw/zinc/41/68/11/536416811.db2.gz RJLLMESQUHVAGN-QGZVFWFLSA-N 2 0 359.474 0.241 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000415326860 536417737 /nfs/dbraw/zinc/41/77/37/536417737.db2.gz WXJLMKLINURIOB-ZDUSSCGKSA-N 2 0 352.410 0.525 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146534 536450007 /nfs/dbraw/zinc/45/00/07/536450007.db2.gz BGDMZUNESXOAIY-SJLPKXTDSA-N 2 0 360.502 0.639 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C1CC1 ZINC000419763964 536481341 /nfs/dbraw/zinc/48/13/41/536481341.db2.gz OUHJDZPUTUFDIY-AEFFLSMTSA-N 2 0 358.486 0.820 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419773589 536481429 /nfs/dbraw/zinc/48/14/29/536481429.db2.gz ZSDNZLLOEBSJGD-ROUUACIJSA-N 2 0 358.486 0.881 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000423683675 536734259 /nfs/dbraw/zinc/73/42/59/536734259.db2.gz WWVOFJMOLTVEJE-CVEARBPZSA-N 2 0 368.522 0.532 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@@H](C[NH3+])C1 ZINC000423671752 536734824 /nfs/dbraw/zinc/73/48/24/536734824.db2.gz NMRFHUIMGPJFGA-CVEARBPZSA-N 2 0 356.511 0.528 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419751279 536746902 /nfs/dbraw/zinc/74/69/02/536746902.db2.gz KEYICNMVKGBXDA-ZBFHGGJFSA-N 2 0 368.522 0.626 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419752184 536747009 /nfs/dbraw/zinc/74/70/09/536747009.db2.gz LTBMHAVUGDEXJL-ZBFHGGJFSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H](NC(=O)N(C)CC(C)(C)CN1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000131658679 546570108 /nfs/dbraw/zinc/57/01/08/546570108.db2.gz OWOAWDFHKNSIRK-HOTGVXAUSA-N 2 0 356.511 0.705 20 0 FCADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000093583087 546592041 /nfs/dbraw/zinc/59/20/41/546592041.db2.gz WLJBJFGNJJZSMQ-SFHVURJKSA-N 2 0 351.491 0.752 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000592962407 546681473 /nfs/dbraw/zinc/68/14/73/546681473.db2.gz DXFLNQWTUHPWKR-OAHLLOKOSA-N 2 0 353.463 0.385 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000423245034 546914121 /nfs/dbraw/zinc/91/41/21/546914121.db2.gz IKYIRVLZKVFOEB-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1C[C@H](C)O ZINC000433406293 546922044 /nfs/dbraw/zinc/92/20/44/546922044.db2.gz NNKDUJADXWJFAE-RRFJBIMHSA-N 2 0 350.467 0.120 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550654461 547093992 /nfs/dbraw/zinc/09/39/92/547093992.db2.gz OTIAERAVOGVLMU-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000550692620 547098537 /nfs/dbraw/zinc/09/85/37/547098537.db2.gz YJQSFXWWBXXWGI-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550690544 547098552 /nfs/dbraw/zinc/09/85/52/547098552.db2.gz JHDKRCFDBZLTGV-WMLDXEAASA-N 2 0 350.507 0.822 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000550952357 547117101 /nfs/dbraw/zinc/11/71/01/547117101.db2.gz SALLWYHROGUBMU-HOTGVXAUSA-N 2 0 356.511 0.402 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043026 547122779 /nfs/dbraw/zinc/12/27/79/547122779.db2.gz RIWVJDZGYACGPN-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551138544 547128020 /nfs/dbraw/zinc/12/80/20/547128020.db2.gz ZPGOJCHZFOKBPI-ZACQAIPSSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000551499697 547149020 /nfs/dbraw/zinc/14/90/20/547149020.db2.gz VWUIBRUBJBCXFA-LTIDMASMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624555 547156556 /nfs/dbraw/zinc/15/65/56/547156556.db2.gz WDOXGMIWKKJGRU-XJKSGUPXSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000552289405 547198920 /nfs/dbraw/zinc/19/89/20/547198920.db2.gz XBOGSGCYJOLKSG-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000552364058 547205431 /nfs/dbraw/zinc/20/54/31/547205431.db2.gz UBCNKMBHNMQVDN-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000552634831 547220916 /nfs/dbraw/zinc/22/09/16/547220916.db2.gz OUILUOGNEXADGE-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)Nc1nc(NCC2([NH+](C)C)CCCCC2)nc(NCCO)[nH+]1 ZINC000552908005 547239314 /nfs/dbraw/zinc/23/93/14/547239314.db2.gz CIROEODGSIQSRL-UHFFFAOYSA-N 2 0 351.499 0.038 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000553359650 547271697 /nfs/dbraw/zinc/27/16/97/547271697.db2.gz AVGCIQKASYZMBA-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000553542999 547286920 /nfs/dbraw/zinc/28/69/20/547286920.db2.gz OTTTUWCOGFYXQK-PMPSAXMXSA-N 2 0 351.495 0.594 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686781 547300507 /nfs/dbraw/zinc/30/05/07/547300507.db2.gz JZEOZXPBSZROJF-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000475723660 547334737 /nfs/dbraw/zinc/33/47/37/547334737.db2.gz PWSHROFIEFHUGT-ZSYWTGECSA-N 2 0 357.539 0.889 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948994713 674391575 /nfs/dbraw/zinc/39/15/75/674391575.db2.gz GLOCQVUAIYEQHF-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C ZINC000950248442 674423515 /nfs/dbraw/zinc/42/35/15/674423515.db2.gz XHZQNVZXXULCCP-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269369 598518390 /nfs/dbraw/zinc/51/83/90/598518390.db2.gz WLADPYAXXBAOCA-KBPBESRZSA-N 2 0 359.482 0.959 20 0 FCADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838395 598761535 /nfs/dbraw/zinc/76/15/35/598761535.db2.gz MTUDJCUGRUETIG-GHMZBOCLSA-N 2 0 361.837 1.000 20 0 FCADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738393084 599491273 /nfs/dbraw/zinc/49/12/73/599491273.db2.gz IOISPIDHXXRMSF-OAHLLOKOSA-N 2 0 370.461 0.841 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738393082 599491859 /nfs/dbraw/zinc/49/18/59/599491859.db2.gz IOISPIDHXXRMSF-HNNXBMFYSA-N 2 0 370.461 0.841 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000954664643 674502728 /nfs/dbraw/zinc/50/27/28/674502728.db2.gz FONYXXNNLWHASM-DLBZAZTESA-N 2 0 350.507 0.728 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496831 665719394 /nfs/dbraw/zinc/71/93/94/665719394.db2.gz KJNVXORUGKLPFI-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729588571 665732480 /nfs/dbraw/zinc/73/24/80/665732480.db2.gz SMDNIJNVAFKDKJ-JKSUJKDBSA-N 2 0 353.511 0.175 20 0 FCADRP CO[C@@H]1CCOC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000898088361 665797504 /nfs/dbraw/zinc/79/75/04/665797504.db2.gz DOOCKKFZQQENOT-GVDBMIGSSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000990004619 665837602 /nfs/dbraw/zinc/83/76/02/665837602.db2.gz GPSDLMHBDZGJEX-PMPSAXMXSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924632288 665856666 /nfs/dbraw/zinc/85/66/66/665856666.db2.gz LYMPASVKAZDMOC-OAHLLOKOSA-N 2 0 360.568 0.662 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000969123547 663139321 /nfs/dbraw/zinc/13/93/21/663139321.db2.gz LPWZASBAUSKRLF-NQNKBUKLSA-N 2 0 350.507 0.869 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC001022020696 663388280 /nfs/dbraw/zinc/38/82/80/663388280.db2.gz SBZFOTLHECHCGX-USXIJHARSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891445339 663397544 /nfs/dbraw/zinc/39/75/44/663397544.db2.gz LASSNHFUMJQIAX-TUVASFSCSA-N 2 0 353.467 0.293 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971566819 663397944 /nfs/dbraw/zinc/39/79/44/663397944.db2.gz JOKZTCANFZANFK-OWCLPIDISA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000971564198 663398144 /nfs/dbraw/zinc/39/81/44/663398144.db2.gz UZFYFNOQVDGSCF-HYVNUMGLSA-N 2 0 371.547 0.684 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001022105141 663404851 /nfs/dbraw/zinc/40/48/51/663404851.db2.gz RCBFLSFMBLOLKO-DMRZNYOFSA-N 2 0 357.520 0.388 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022109688 663405821 /nfs/dbraw/zinc/40/58/21/663405821.db2.gz QQPMAYWYARUGGU-UHDSXZAQSA-N 2 0 371.547 0.778 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022109689 663405846 /nfs/dbraw/zinc/40/58/46/663405846.db2.gz QQPMAYWYARUGGU-ZOFXXKQRSA-N 2 0 371.547 0.778 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000891594039 663417461 /nfs/dbraw/zinc/41/74/61/663417461.db2.gz LGHZHIIBQQNDCG-IRXDYDNUSA-N 2 0 352.523 0.630 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891633350 663420584 /nfs/dbraw/zinc/42/05/84/663420584.db2.gz YLBSVVVCQCGBCN-ZNMIVQPWSA-N 2 0 353.467 0.295 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891655396 663424042 /nfs/dbraw/zinc/42/40/42/663424042.db2.gz PAAGIGISXRTFTN-SHTZXODSSA-N 2 0 353.511 0.650 20 0 FCADRP CC(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1CCN(C)CC1 ZINC000891752059 663433599 /nfs/dbraw/zinc/43/35/99/663433599.db2.gz DZEVSQGZICNKGP-JENIJYKNSA-N 2 0 351.539 0.852 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCN(C)CC1 ZINC000891751618 663433642 /nfs/dbraw/zinc/43/36/42/663433642.db2.gz BDCXPSTXRXMEKV-QGZVFWFLSA-N 2 0 355.527 0.014 20 0 FCADRP C(C[NH+]1CCC[C@@H]1C1OCCO1)OCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902006 663447697 /nfs/dbraw/zinc/44/76/97/663447697.db2.gz YMEQBDNJCBKRDK-HZPDHXFCSA-N 2 0 356.463 0.678 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892107644 663477124 /nfs/dbraw/zinc/47/71/24/663477124.db2.gz LWJPNKSMUMGTHQ-CRWXNKLISA-N 2 0 363.428 0.652 20 0 FCADRP COCC1(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000892111892 663477709 /nfs/dbraw/zinc/47/77/09/663477709.db2.gz FPFFHXOBXMOBON-RYUDHWBXSA-N 2 0 352.401 0.781 20 0 FCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892135152 663480692 /nfs/dbraw/zinc/48/06/92/663480692.db2.gz MYXXKTYNNFIYNF-DLBZAZTESA-N 2 0 355.527 0.600 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC000892250844 663500026 /nfs/dbraw/zinc/50/00/26/663500026.db2.gz OHMACSFBWGWQBL-MRXNPFEDSA-N 2 0 353.511 0.354 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000892263213 663508106 /nfs/dbraw/zinc/50/81/06/663508106.db2.gz LVLGLPUPRCVRDI-HZPDHXFCSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@H]32)O1 ZINC001025818490 664195301 /nfs/dbraw/zinc/19/53/01/664195301.db2.gz WOZYCYXKAOBKNR-OBRKIGFESA-N 2 0 351.491 0.569 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000893014022 664199291 /nfs/dbraw/zinc/19/92/91/664199291.db2.gz VFSWQOJVEHHYER-QGZVFWFLSA-N 2 0 354.495 0.386 20 0 FCADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000893100227 664205052 /nfs/dbraw/zinc/20/50/52/664205052.db2.gz CFHQNLXPIZGMKI-OAHLLOKOSA-N 2 0 355.527 0.803 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000893397365 664284267 /nfs/dbraw/zinc/28/42/67/664284267.db2.gz ANTSLITZTJJBSA-UHFFFAOYSA-N 2 0 356.511 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978668814 664441899 /nfs/dbraw/zinc/44/18/99/664441899.db2.gz RBRDUVFBWKDMML-DMRKSPOLSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000979582824 664460717 /nfs/dbraw/zinc/46/07/17/664460717.db2.gz RBRDUVFBWKDMML-VIQHNZTISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000979877501 664465253 /nfs/dbraw/zinc/46/52/53/664465253.db2.gz ZABMUQVAOYKUMY-MUIFIZLQSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184341 664815644 /nfs/dbraw/zinc/81/56/44/664815644.db2.gz GOAQVMRMWDLMJI-JQHSSLGASA-N 2 0 353.507 0.648 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C[C@]2(C)C1 ZINC000893739851 664873015 /nfs/dbraw/zinc/87/30/15/664873015.db2.gz AUELXQJDRATZJX-XZKMEQPCSA-N 2 0 350.507 0.957 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028551888 664902066 /nfs/dbraw/zinc/90/20/66/664902066.db2.gz AVAUJHGBKYSMMW-HRCADAONSA-N 2 0 351.495 0.180 20 0 FCADRP COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1(F)F ZINC000894165858 664902617 /nfs/dbraw/zinc/90/26/17/664902617.db2.gz ISKWRWQIKRAQAQ-DZGCQCFKSA-N 2 0 354.401 0.977 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262116999 665008617 /nfs/dbraw/zinc/00/86/17/665008617.db2.gz VZSRRLJTBLERIC-GJZGRUSLSA-N 2 0 350.850 0.681 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H]2CCOC2)O1 ZINC001029357705 665019054 /nfs/dbraw/zinc/01/90/54/665019054.db2.gz QSFGVHRTIYJQNX-MDMSPXHWSA-N 2 0 351.491 0.807 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000895962712 665065753 /nfs/dbraw/zinc/06/57/53/665065753.db2.gz BHTGLFVJANJHBS-UHFFFAOYSA-N 2 0 354.476 0.465 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)C1 ZINC000896389618 665083149 /nfs/dbraw/zinc/08/31/49/665083149.db2.gz GPDRMYKEKHVFSN-SFHVURJKSA-N 2 0 350.507 0.336 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000897293336 665165516 /nfs/dbraw/zinc/16/55/16/665165516.db2.gz JJALPJVLURXPOE-KKUMJFAQSA-N 2 0 354.520 0.235 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986690007 665225627 /nfs/dbraw/zinc/22/56/27/665225627.db2.gz RNBXMNBXPWNYQK-LTIDMASMSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000263046176 665228098 /nfs/dbraw/zinc/22/80/98/665228098.db2.gz UBKWCZZMHSCYPS-GOEBONIOSA-N 2 0 354.476 0.770 20 0 FCADRP C[NH+](C)CCNC(=S)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729160352 665236195 /nfs/dbraw/zinc/23/61/95/665236195.db2.gz MYZFKIZZZKAOJN-UHFFFAOYSA-N 2 0 365.551 0.405 20 0 FCADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353751 666018233 /nfs/dbraw/zinc/01/82/33/666018233.db2.gz JKZHKZNTLFLUMJ-AEFFLSMTSA-N 2 0 351.447 0.320 20 0 FCADRP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906653490 666060990 /nfs/dbraw/zinc/06/09/90/666060990.db2.gz DSSJCAVTIQQUNI-SFHVURJKSA-N 2 0 351.539 0.107 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000907453080 666133113 /nfs/dbraw/zinc/13/31/13/666133113.db2.gz UBPOUBKDWSNBMC-GOSISDBHSA-N 2 0 353.555 0.545 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000907599986 666146429 /nfs/dbraw/zinc/14/64/29/666146429.db2.gz OTBIRQYZLWMZJL-UHFFFAOYSA-N 2 0 354.539 0.708 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1ccco1 ZINC000911004361 666304860 /nfs/dbraw/zinc/30/48/60/666304860.db2.gz YFURTMGHKNVHII-CABCVRRESA-N 2 0 350.463 0.976 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1)CC1CC1 ZINC000911503912 666361753 /nfs/dbraw/zinc/36/17/53/666361753.db2.gz DKJQASRSSUOAPH-UHFFFAOYSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911564296 666366997 /nfs/dbraw/zinc/36/69/97/666366997.db2.gz SJFQCPUHDBNZSE-XHSDSOJGSA-N 2 0 354.495 0.250 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159046 666382210 /nfs/dbraw/zinc/38/22/10/666382210.db2.gz BSOZNUZSWWKCOP-OAHLLOKOSA-N 2 0 355.552 0.522 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000913330692 666521940 /nfs/dbraw/zinc/52/19/40/666521940.db2.gz IBOWIYDSFQIBQV-IBGZPJMESA-N 2 0 353.507 0.937 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939884974 666530765 /nfs/dbraw/zinc/53/07/65/666530765.db2.gz XQGAAXXUQLAKKK-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000940761593 666560578 /nfs/dbraw/zinc/56/05/78/666560578.db2.gz QGLKALNCIPVNIJ-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC000941216028 666593655 /nfs/dbraw/zinc/59/36/55/666593655.db2.gz CLSPFKWMJVYLID-BRWVUGGUSA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000992390542 666635672 /nfs/dbraw/zinc/63/56/72/666635672.db2.gz FHFNOOOXUVEUKC-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000992400128 666636091 /nfs/dbraw/zinc/63/60/91/666636091.db2.gz MDROBPSCBFFSRD-JKSUJKDBSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)CC[N@@H+]1C ZINC000992402443 666636388 /nfs/dbraw/zinc/63/63/88/666636388.db2.gz XUTPBCBVDUMHMA-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CC1(O)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000913680668 666641291 /nfs/dbraw/zinc/64/12/91/666641291.db2.gz YIJAENQNAVNZFJ-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC000961370876 674759366 /nfs/dbraw/zinc/75/93/66/674759366.db2.gz FJRDCLRUPVXLRM-DJIMGWMZSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC000961370880 674759490 /nfs/dbraw/zinc/75/94/90/674759490.db2.gz FJRDCLRUPVXLRM-HYVNUMGLSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000942249573 666719161 /nfs/dbraw/zinc/71/91/61/666719161.db2.gz YVGNGYDFWSUVHY-DMRKSPOLSA-N 2 0 350.507 0.774 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287386 666905413 /nfs/dbraw/zinc/90/54/13/666905413.db2.gz ZOCKHBWULAXGIC-GOEBONIOSA-N 2 0 352.479 0.750 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000734274696 666958482 /nfs/dbraw/zinc/95/84/82/666958482.db2.gz LIYDVCQENMZMIR-NVXWUHKLSA-N 2 0 354.495 0.602 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276472 666959128 /nfs/dbraw/zinc/95/91/28/666959128.db2.gz CYENDMCNCZNBEW-IRXDYDNUSA-N 2 0 353.511 0.175 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000734666585 666978050 /nfs/dbraw/zinc/97/80/50/666978050.db2.gz DYZLPFAYODHPGF-QGZVFWFLSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000997793510 667176092 /nfs/dbraw/zinc/17/60/92/667176092.db2.gz QCYIZHBYHRXGIM-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000998936184 667223934 /nfs/dbraw/zinc/22/39/34/667223934.db2.gz GOQOXPKMCRBXDY-RHSMWYFYSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000999188784 667230203 /nfs/dbraw/zinc/23/02/03/667230203.db2.gz CNYMLRIZSBFEJT-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000999196509 667230818 /nfs/dbraw/zinc/23/08/18/667230818.db2.gz SCSZVNGQNRYQIM-RBSFLKMASA-N 2 0 350.463 0.056 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247361 667526804 /nfs/dbraw/zinc/52/68/04/667526804.db2.gz KBKWREYBVHMZOE-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001002861204 667571432 /nfs/dbraw/zinc/57/14/32/667571432.db2.gz VZNPPZRNMXGSDF-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001002859210 667571795 /nfs/dbraw/zinc/57/17/95/667571795.db2.gz KPTVLHWIYHECSD-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCN(CC)C3=O)CC2)CC[N@@H+]1C ZINC001002858317 667571811 /nfs/dbraw/zinc/57/18/11/667571811.db2.gz BOQARCYAMRSJBU-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)[NH+](C)C ZINC001003747298 667627957 /nfs/dbraw/zinc/62/79/57/667627957.db2.gz YLRWSBPSBVSJMR-VQHPVUNQSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597617 667677328 /nfs/dbraw/zinc/67/73/28/667677328.db2.gz BEQDKOGPHXTHIA-VVLHAWIVSA-N 2 0 350.507 0.633 20 0 FCADRP CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407762 667740217 /nfs/dbraw/zinc/74/02/17/667740217.db2.gz SVOKJHAIJARPLY-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000923287687 667822339 /nfs/dbraw/zinc/82/23/39/667822339.db2.gz VTFDWQICQXWVOL-QGZVFWFLSA-N 2 0 350.463 0.222 20 0 FCADRP Cc1cc(I)ccc1NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923350830 667827250 /nfs/dbraw/zinc/82/72/50/667827250.db2.gz DYEGDQFAUJAZKB-UHFFFAOYSA-N 2 0 362.215 0.414 20 0 FCADRP Cc1ccc([C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000923602676 667875006 /nfs/dbraw/zinc/87/50/06/667875006.db2.gz RNUHGEKKMJGZGP-KRWDZBQOSA-N 2 0 352.504 0.872 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000738877794 667931081 /nfs/dbraw/zinc/93/10/81/667931081.db2.gz UTKILJMVGLQTJG-UHFFFAOYSA-N 2 0 354.495 0.999 20 0 FCADRP C[C@@H]1CCC[NH+]1CCNC(=O)COCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783917501 668636829 /nfs/dbraw/zinc/63/68/29/668636829.db2.gz ALPSZBDCNPPXDL-IYBDPMFKSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819063252 668975903 /nfs/dbraw/zinc/97/59/03/668975903.db2.gz YASHIJFTQWKVSE-SFHVURJKSA-N 2 0 358.527 0.878 20 0 FCADRP CC(C)N1C(=S)N=NC1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000820306030 669079708 /nfs/dbraw/zinc/07/97/08/669079708.db2.gz MSGDBLPNZRAKSM-UHFFFAOYSA-N 2 0 371.555 0.825 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000809968031 669654282 /nfs/dbraw/zinc/65/42/82/669654282.db2.gz KQDPPRWGHMLWEZ-SFHVURJKSA-N 2 0 358.527 0.831 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000834406971 669952558 /nfs/dbraw/zinc/95/25/58/669952558.db2.gz NHJUXNWSTHJEPR-IAGOWNOFSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000842088601 670632850 /nfs/dbraw/zinc/63/28/50/670632850.db2.gz RJEGEDIAAROPAM-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000842192417 670646393 /nfs/dbraw/zinc/64/63/93/670646393.db2.gz RXQIQBSUVOSSEI-GOSISDBHSA-N 2 0 364.515 0.358 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000842192420 670646618 /nfs/dbraw/zinc/64/66/18/670646618.db2.gz RXQIQBSUVOSSEI-SFHVURJKSA-N 2 0 364.515 0.358 20 0 FCADRP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000843071692 670773274 /nfs/dbraw/zinc/77/32/74/670773274.db2.gz BWLMFBLLYBWSHH-WMZOPIPTSA-N 2 0 370.515 0.950 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706825 671139180 /nfs/dbraw/zinc/13/91/80/671139180.db2.gz QMRIPATVDOPFFQ-CHWSQXEVSA-N 2 0 351.451 0.474 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968011456 675178290 /nfs/dbraw/zinc/17/82/90/675178290.db2.gz CDMCAZHJAHWWRV-XYPHTWIQSA-N 2 0 350.507 0.726 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968016047 675178455 /nfs/dbraw/zinc/17/84/55/675178455.db2.gz UUDMDZZLNMUNOC-GDBMZVCRSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103093 671317889 /nfs/dbraw/zinc/31/78/89/671317889.db2.gz GYXABMRVQKUPKK-INIZCTEOSA-N 3 0 352.527 0.577 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852063885 671484834 /nfs/dbraw/zinc/48/48/34/671484834.db2.gz SZBWARRHIFKCGG-IXDOHACOSA-N 2 0 352.479 0.402 20 0 FCADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000852741647 671522743 /nfs/dbraw/zinc/52/27/43/671522743.db2.gz XRBGCJSGZGLOFT-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000852752887 671523685 /nfs/dbraw/zinc/52/36/85/671523685.db2.gz POXILFLGWSXJFH-VKJFTORMSA-N 2 0 352.479 0.736 20 0 FCADRP O=C(N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000852930672 671532800 /nfs/dbraw/zinc/53/28/00/671532800.db2.gz MFPPSLNZUSJBBR-CXAGYDPISA-N 2 0 350.442 0.227 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000857334471 671725249 /nfs/dbraw/zinc/72/52/49/671725249.db2.gz AWKJQDXMNRDRPZ-QZTJIDSGSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511476 675935867 /nfs/dbraw/zinc/93/58/67/675935867.db2.gz VFFOVGIQILTARJ-BGTYHANMSA-N 2 0 350.507 0.571 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC000903522601 675938105 /nfs/dbraw/zinc/93/81/05/675938105.db2.gz UEBVHBNHBSNUMM-PBHICJAKSA-N 2 0 350.488 0.601 20 0 FCADRP CCS(=O)(=O)N(C)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903729419 675964581 /nfs/dbraw/zinc/96/45/81/675964581.db2.gz MPPFPRDBFVKFKR-INIZCTEOSA-N 2 0 359.536 0.891 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758441 675968953 /nfs/dbraw/zinc/96/89/53/675968953.db2.gz JYTYXKUZYNPKNG-HZPDHXFCSA-N 2 0 359.536 0.749 20 0 FCADRP O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863551518 672136821 /nfs/dbraw/zinc/13/68/21/672136821.db2.gz GMVPSFZNRQZYSI-ZDUSSCGKSA-N 2 0 355.451 0.297 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000863764571 672151458 /nfs/dbraw/zinc/15/14/58/672151458.db2.gz DTHSAEZBPHBUHH-AWEZNQCLSA-N 2 0 350.463 0.391 20 0 FCADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865412242 672242092 /nfs/dbraw/zinc/24/20/92/672242092.db2.gz LIQYGRGMTCRJEQ-GOSISDBHSA-N 2 0 350.511 0.964 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)C2C[NH2+]C2)c1 ZINC000923604142 672348780 /nfs/dbraw/zinc/34/87/80/672348780.db2.gz SUFMLPBVDLFRKS-UHFFFAOYSA-N 2 0 357.476 0.035 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000868355770 672395436 /nfs/dbraw/zinc/39/54/36/672395436.db2.gz NXWUXTYETQHGIO-GOSISDBHSA-N 2 0 369.579 0.845 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357496 676017574 /nfs/dbraw/zinc/01/75/74/676017574.db2.gz PFARZNPQUNOJQK-WCXIOVBPSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583654 676025368 /nfs/dbraw/zinc/02/53/68/676025368.db2.gz WRKBCKVRRTXVDA-ABFRBSLYSA-N 2 0 350.507 0.679 20 0 FCADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923637179 672654765 /nfs/dbraw/zinc/65/47/65/672654765.db2.gz URQQIIVHPGIAMB-QZTJIDSGSA-N 2 0 366.531 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001056717087 676048816 /nfs/dbraw/zinc/04/88/16/676048816.db2.gz VAHZITOZVORKOC-YYIAUSFCSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247437 673106683 /nfs/dbraw/zinc/10/66/83/673106683.db2.gz ACGDEQPMJKNEJX-HNNXBMFYSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000879592086 673129570 /nfs/dbraw/zinc/12/95/70/673129570.db2.gz DDMBJTVAJHDBNS-UHFFFAOYSA-N 2 0 351.495 0.419 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(C)n1 ZINC000879898909 673149604 /nfs/dbraw/zinc/14/96/04/673149604.db2.gz MLNWZYOGVFNMQB-AWEZNQCLSA-N 2 0 350.467 0.660 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000882635343 673329719 /nfs/dbraw/zinc/32/97/19/673329719.db2.gz FZWKIGQKZSKZLI-OKZBNKHCSA-N 2 0 352.523 0.630 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436600 673375588 /nfs/dbraw/zinc/37/55/88/673375588.db2.gz XCMQAIWEUPHEGV-SJORKVTESA-N 2 0 354.495 0.650 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000883689673 673390992 /nfs/dbraw/zinc/39/09/92/673390992.db2.gz RERGBOUEYSJSNZ-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884233341 673440689 /nfs/dbraw/zinc/44/06/89/673440689.db2.gz OHCFGNBTJKLPFQ-AWEZNQCLSA-N 2 0 355.280 0.813 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884490840 673456974 /nfs/dbraw/zinc/45/69/74/673456974.db2.gz IDFXYMNPMGHSLJ-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884493795 673457228 /nfs/dbraw/zinc/45/72/28/673457228.db2.gz CJOBGTIGOYNNHC-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884576175 673463247 /nfs/dbraw/zinc/46/32/47/673463247.db2.gz BKBHGEZIMFDPQI-LPHOPBHVSA-N 2 0 350.507 0.827 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884576442 673463254 /nfs/dbraw/zinc/46/32/54/673463254.db2.gz HQECXTQQWFBQLS-QWHCGFSZSA-N 2 0 364.412 0.430 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884601296 673465113 /nfs/dbraw/zinc/46/51/13/673465113.db2.gz HEKBXQQNNHOZCE-SRVKXCTJSA-N 2 0 352.401 0.429 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612843 673465901 /nfs/dbraw/zinc/46/59/01/673465901.db2.gz VVBDJWNQEYEXEV-UMPJEAMMSA-N 2 0 354.520 0.187 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCC1 ZINC000884633068 673467997 /nfs/dbraw/zinc/46/79/97/673467997.db2.gz QBWVBCLIFRVOIK-ZDUSSCGKSA-N 2 0 360.449 0.586 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884637690 673468729 /nfs/dbraw/zinc/46/87/29/673468729.db2.gz XPMMEJRUANARHY-GOSISDBHSA-N 2 0 354.495 0.063 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000884640344 673468968 /nfs/dbraw/zinc/46/89/68/673468968.db2.gz BKXSHDBAXQMRRO-DGCLKSJQSA-N 2 0 364.412 0.573 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884658984 673470353 /nfs/dbraw/zinc/47/03/53/673470353.db2.gz FHBUOTRHIKGYPI-UHFFFAOYSA-N 2 0 353.492 0.335 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884665111 673470673 /nfs/dbraw/zinc/47/06/73/673470673.db2.gz GOJHVUMCQYIXMA-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C(C)C ZINC000884669156 673471003 /nfs/dbraw/zinc/47/10/03/673471003.db2.gz NXXFDIXFRFXYLF-OLZOCXBDSA-N 2 0 366.428 0.817 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000884675012 673471487 /nfs/dbraw/zinc/47/14/87/673471487.db2.gz PGKDWMWHPWTCKS-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000884719788 673476524 /nfs/dbraw/zinc/47/65/24/673476524.db2.gz ZDXTVOPUMIOMEE-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884720648 673476810 /nfs/dbraw/zinc/47/68/10/673476810.db2.gz RJBXKVKNTATXTA-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[NH2+]C1 ZINC000884876125 673487654 /nfs/dbraw/zinc/48/76/54/673487654.db2.gz VTAKPOYEPWZEMJ-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[NH2+]C1 ZINC000884876126 673487687 /nfs/dbraw/zinc/48/76/87/673487687.db2.gz VTAKPOYEPWZEMJ-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC[C@H]21 ZINC000884879728 673488164 /nfs/dbraw/zinc/48/81/64/673488164.db2.gz MFEPVVUYRMMMNY-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884836 673488709 /nfs/dbraw/zinc/48/87/09/673488709.db2.gz MCQDQENPABYLDY-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000884914030 673490955 /nfs/dbraw/zinc/49/09/55/673490955.db2.gz BFRFHKICNGHMAG-JCNLHEQBSA-N 2 0 350.507 0.955 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884976012 673495013 /nfs/dbraw/zinc/49/50/13/673495013.db2.gz KASBOGZWCBAWGO-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285335 673512373 /nfs/dbraw/zinc/51/23/73/673512373.db2.gz OYIHRMGKHHZRDU-CYBMUJFWSA-N 2 0 360.449 0.680 20 0 FCADRP COC1CC[NH+](C2(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)CCCC2)CC1 ZINC000924610142 673759464 /nfs/dbraw/zinc/75/94/64/673759464.db2.gz YKJGMIKRKYWGNT-OAHLLOKOSA-N 2 0 352.479 0.892 20 0 FCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704472 673761321 /nfs/dbraw/zinc/76/13/21/673761321.db2.gz FLVPFQNHFUYGKB-UONOGXRCSA-N 2 0 353.488 0.938 20 0 FCADRP C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924949964 673770785 /nfs/dbraw/zinc/77/07/85/673770785.db2.gz MQXBKWMNCNVZQM-MRXNPFEDSA-N 2 0 368.547 0.976 20 0 FCADRP C[C@H](C[NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000924966679 673771564 /nfs/dbraw/zinc/77/15/64/673771564.db2.gz TVOSMIDDQBJUFI-CVEARBPZSA-N 2 0 356.511 0.848 20 0 FCADRP C[N@@H+]1CCN(CCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1(C)C ZINC000925306322 673786394 /nfs/dbraw/zinc/78/63/94/673786394.db2.gz GMOAFIROAMLBPA-HNNXBMFYSA-N 2 0 351.495 0.419 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000926300406 673821041 /nfs/dbraw/zinc/82/10/41/673821041.db2.gz UPRPOVDBCJLXSV-KRWDZBQOSA-N 2 0 350.507 0.908 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C[C@H]1[NH3+] ZINC000926320057 673822153 /nfs/dbraw/zinc/82/21/53/673822153.db2.gz JSYHUXABEQVAHF-WCXIOVBPSA-N 2 0 350.507 0.905 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926351917 673825803 /nfs/dbraw/zinc/82/58/03/673825803.db2.gz LHWGBSHVVMTZNW-JKSUJKDBSA-N 2 0 354.495 0.143 20 0 FCADRP COc1cc(N2C(=O)N[C@H](C[NH+](C)C)C2=O)ccc1OCC[NH+](C)C ZINC000927253029 673857529 /nfs/dbraw/zinc/85/75/29/673857529.db2.gz KDHCJUVFJQNDIH-CYBMUJFWSA-N 2 0 350.419 0.622 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000929646731 673969697 /nfs/dbraw/zinc/96/96/97/673969697.db2.gz TZLNTPPQUHVNTQ-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001007376376 675288466 /nfs/dbraw/zinc/28/84/66/675288466.db2.gz JHLKOWHWEDQLSN-RBSFLKMASA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020174784 675436543 /nfs/dbraw/zinc/43/65/43/675436543.db2.gz QQPMAYWYARUGGU-OVYGPGRDSA-N 2 0 371.547 0.778 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@@H+]1C ZINC001041302657 675512298 /nfs/dbraw/zinc/51/22/98/675512298.db2.gz XUNABHZUKXFRSW-FCEWJHQRSA-N 2 0 350.507 0.729 20 0 FCADRP CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001045443359 675653822 /nfs/dbraw/zinc/65/38/22/675653822.db2.gz MIXMKLJZPHZFII-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)CC[N@@H+]1C ZINC001046032276 675681139 /nfs/dbraw/zinc/68/11/39/675681139.db2.gz IDHPGNZGVSPTLG-FGTMMUONSA-N 2 0 352.523 0.318 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602269 675698806 /nfs/dbraw/zinc/69/88/06/675698806.db2.gz PLYVXVIHMHFWCL-ROUUACIJSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC001048527959 675859747 /nfs/dbraw/zinc/85/97/47/675859747.db2.gz QYPMNFIQWMNGAC-NQNKBUKLSA-N 2 0 350.507 0.774 20 0 FCADRP c1cn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c([C@H]2CCC[NH2+]C2)n1 ZINC001167058086 1167843684 /nfs/dbraw/zinc/84/36/84/1167843684.db2.gz XQADVLNVGVKVMW-ZDUSSCGKSA-N 2 0 355.446 0.934 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC(=O)NC2CCOCC2)C1 ZINC000969702956 1168065150 /nfs/dbraw/zinc/06/51/50/1168065150.db2.gz CJBIIQPSQJMDOJ-JJRVBVJISA-N 2 0 366.506 0.058 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001020603814 1168148663 /nfs/dbraw/zinc/14/86/63/1168148663.db2.gz NSBAHFHXOILLIE-MUIFIZLQSA-N 2 0 369.473 0.962 20 0 FCADRP CN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)N1CCC1 ZINC001266329116 1168155642 /nfs/dbraw/zinc/15/56/42/1168155642.db2.gz YKQUQODMLYQTLX-MSOLQXFVSA-N 2 0 358.486 0.612 20 0 FCADRP CCn1nnc(C)c1CN1CC([C@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000969958235 1168234797 /nfs/dbraw/zinc/23/47/97/1168234797.db2.gz KBIVVKVPJZNFFY-IIYDPXPESA-N 2 0 364.494 0.262 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC000970042705 1168302825 /nfs/dbraw/zinc/30/28/25/1168302825.db2.gz LBFATNJYFOJKMD-QRVBRYPASA-N 2 0 368.485 0.814 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CCCC3OCCO3)CC2)C1 ZINC001209302922 1168346128 /nfs/dbraw/zinc/34/61/28/1168346128.db2.gz LODWNPFNJJMXJM-UHFFFAOYSA-N 2 0 369.506 0.642 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104291777 1169659459 /nfs/dbraw/zinc/65/94/59/1169659459.db2.gz VEESFZPEYLYJBV-XPKDYRNWSA-N 2 0 364.494 0.023 20 0 FCADRP CC(C)N(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482731225 1192374603 /nfs/dbraw/zinc/37/46/03/1192374603.db2.gz QBQYJBPSUIGRTC-OWCLPIDISA-N 2 0 356.511 0.039 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104294695 1169691883 /nfs/dbraw/zinc/69/18/83/1169691883.db2.gz XZRRNAPTIYTCLF-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266593194 1169794714 /nfs/dbraw/zinc/79/47/14/1169794714.db2.gz AOAZGHLNPGTNIZ-KBUPBQIOSA-N 2 0 367.494 0.045 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001744820232 1169876911 /nfs/dbraw/zinc/87/69/11/1169876911.db2.gz CIOPKTCKUTXXFW-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1)[NH+](C)C ZINC001104346818 1170129807 /nfs/dbraw/zinc/12/98/07/1170129807.db2.gz KTSYEBOXFLYURU-IIAWOOMASA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCC1 ZINC000891384050 1170225769 /nfs/dbraw/zinc/22/57/69/1170225769.db2.gz DJZSIZHGQDAJSN-JONQDZQNSA-N 2 0 365.478 0.295 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581474654 1170364005 /nfs/dbraw/zinc/36/40/05/1170364005.db2.gz BJAFIDOICGBIJO-MRXNPFEDSA-N 2 0 362.474 0.867 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001022037910 1170459418 /nfs/dbraw/zinc/45/94/18/1170459418.db2.gz DXLAHDRNURZQQS-RCCFBDPRSA-N 2 0 362.518 0.728 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617007 1192418834 /nfs/dbraw/zinc/41/88/34/1192418834.db2.gz VBWYOVVOFUEOKA-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP CC(C)=CCN1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221125 1170589042 /nfs/dbraw/zinc/58/90/42/1170589042.db2.gz LPQDQWIGOAXKNY-ZWKOTPCHSA-N 2 0 361.490 0.936 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221305 1170594724 /nfs/dbraw/zinc/59/47/24/1170594724.db2.gz VELCGKNFUNXEKF-HYVNUMGLSA-N 2 0 365.478 0.005 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@@H+]1C ZINC001022217161 1170765424 /nfs/dbraw/zinc/76/54/24/1170765424.db2.gz GCGSNTBYEWKFOF-WNRNVDISSA-N 2 0 374.529 0.872 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891646408 1170781365 /nfs/dbraw/zinc/78/13/65/1170781365.db2.gz KZDGANQYIFJDIR-LJIZCISZSA-N 2 0 365.478 0.436 20 0 FCADRP C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@H+](C)CC1 ZINC000891766107 1170850679 /nfs/dbraw/zinc/85/06/79/1170850679.db2.gz RJJRAAOINCOZIE-HNKHHVNMSA-N 2 0 363.462 0.213 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC001691230121 1170875023 /nfs/dbraw/zinc/87/50/23/1170875023.db2.gz SFCTZDZSJIYWFX-JKSUJKDBSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001691251212 1170890762 /nfs/dbraw/zinc/89/07/62/1170890762.db2.gz PGZBZYWTLYOTMD-ZNMIVQPWSA-N 2 0 366.506 0.644 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@H]2C1 ZINC000891831007 1170893090 /nfs/dbraw/zinc/89/30/90/1170893090.db2.gz YYJZUQJDLUPGBM-SJORKVTESA-N 2 0 358.490 0.679 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001691263550 1170984105 /nfs/dbraw/zinc/98/41/05/1170984105.db2.gz WEPNFZWFFAWVBQ-GVDBMIGSSA-N 2 0 367.538 0.910 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001691268500 1171002411 /nfs/dbraw/zinc/00/24/11/1171002411.db2.gz RFADSNLNKXUSJD-ARFHVFGLSA-N 2 0 371.547 0.637 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909930 1171065830 /nfs/dbraw/zinc/06/58/30/1171065830.db2.gz OMYAAILHMDVNRZ-JJXSEGSLSA-N 2 0 367.494 0.683 20 0 FCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909928 1171066559 /nfs/dbraw/zinc/06/65/59/1171066559.db2.gz OMYAAILHMDVNRZ-FPCVCCKLSA-N 2 0 367.494 0.683 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001691324350 1171097809 /nfs/dbraw/zinc/09/78/09/1171097809.db2.gz BUNFTAHDASRQBD-JKSUJKDBSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001691378351 1171236944 /nfs/dbraw/zinc/23/69/44/1171236944.db2.gz DQPHYIKXEVZKOI-PMPSAXMXSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CCC[NH2+][C@H]1CCNC1=O ZINC001691411406 1171284907 /nfs/dbraw/zinc/28/49/07/1171284907.db2.gz LNBBRXSQARYRFR-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970222 1171355939 /nfs/dbraw/zinc/35/59/39/1171355939.db2.gz JEBMJWFCEGNBIZ-AEFFLSMTSA-N 2 0 373.501 0.486 20 0 FCADRP [NH3+][C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000892030094 1171492609 /nfs/dbraw/zinc/49/26/09/1171492609.db2.gz BMNSRUCRNSXLOI-QXSJWSMHSA-N 2 0 359.430 0.263 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000892212467 1171752428 /nfs/dbraw/zinc/75/24/28/1171752428.db2.gz WOCQERFQGMVIPD-OAGGEKHMSA-N 2 0 359.430 0.222 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000972242561 1171880447 /nfs/dbraw/zinc/88/04/47/1171880447.db2.gz KQICGQLYJUQNEL-IIDMSEBBSA-N 2 0 371.485 0.772 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC000972252588 1171886409 /nfs/dbraw/zinc/88/64/09/1171886409.db2.gz HSZCRTMPQSUXDP-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083247677 1172003554 /nfs/dbraw/zinc/00/35/54/1172003554.db2.gz AGOFCJKKEUUMLR-BPQIPLTHSA-N 2 0 361.490 0.216 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000989067346 1192670689 /nfs/dbraw/zinc/67/06/89/1192670689.db2.gz XTXSLMYSVSMOPU-ZBFHGGJFSA-N 2 0 371.485 0.963 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000989230662 1192759311 /nfs/dbraw/zinc/75/93/11/1192759311.db2.gz BHYQNSWHTQAFRN-OWCLPIDISA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842015410 1192853157 /nfs/dbraw/zinc/85/31/57/1192853157.db2.gz KZPDMNDFNMMKHU-RYQLBKOJSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000898030003 1192855262 /nfs/dbraw/zinc/85/52/62/1192855262.db2.gz KRONQKPVCOIMEQ-HZPDHXFCSA-N 2 0 371.485 0.885 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000898165348 1192861755 /nfs/dbraw/zinc/86/17/55/1192861755.db2.gz GOISQTDTKVWHOS-FJIDUMEYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087236314 1179057868 /nfs/dbraw/zinc/05/78/68/1179057868.db2.gz QRPJOJDGCCAQIP-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)ccc2c[nH+]cn21 ZINC001023216967 1179234217 /nfs/dbraw/zinc/23/42/17/1179234217.db2.gz RAKNBLJNEPKGRX-BRWVUGGUSA-N 2 0 371.441 0.038 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)[NH2+]C1 ZINC000892379198 1180006416 /nfs/dbraw/zinc/00/64/16/1180006416.db2.gz YDSWUZUWVQVXCJ-XQLPTFJDSA-N 2 0 365.478 0.341 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3COCC[NH2+]3)c2)C1 ZINC000262475163 1180214964 /nfs/dbraw/zinc/21/49/64/1180214964.db2.gz YTMQKMXUUPTDIH-ZWKOTPCHSA-N 2 0 374.485 0.379 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN2Cc2ccccn2)C1 ZINC000081326678 1180750921 /nfs/dbraw/zinc/75/09/21/1180750921.db2.gz JNOCYHJHIGLVSV-FUHWJXTLSA-N 2 0 373.501 0.750 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1)C1CC1 ZINC001024492625 1181240537 /nfs/dbraw/zinc/24/05/37/1181240537.db2.gz HEMBMVIGAWSWSF-BRWVUGGUSA-N 2 0 371.441 0.205 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000947249865 1181563210 /nfs/dbraw/zinc/56/32/10/1181563210.db2.gz MQDHLWMWCYPDDX-HYVNUMGLSA-N 2 0 366.506 0.297 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@@H]21 ZINC000892519223 1181710033 /nfs/dbraw/zinc/71/00/33/1181710033.db2.gz MZHQRSPSOCXJJK-YJBOKZPZSA-N 2 0 369.473 0.962 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000892524877 1181729748 /nfs/dbraw/zinc/72/97/48/1181729748.db2.gz QTMQBKNXHJAXJV-HNNXBMFYSA-N 2 0 357.462 0.819 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000947251705 1181837793 /nfs/dbraw/zinc/83/77/93/1181837793.db2.gz XZWOGZVUNRQZBU-ZMSDIMECSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)O1 ZINC000892543089 1181843983 /nfs/dbraw/zinc/84/39/83/1181843983.db2.gz CVNKSVZPJCZXGA-GOEBONIOSA-N 2 0 361.446 0.597 20 0 FCADRP Cc1nccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083275505 1181849575 /nfs/dbraw/zinc/84/95/75/1181849575.db2.gz HRDVAXRBRBXPTP-FGTMMUONSA-N 2 0 362.474 0.920 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994161 1181863550 /nfs/dbraw/zinc/86/35/50/1181863550.db2.gz HZZVIIBOQOEKSM-KBAYOESNSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892587695 1181896142 /nfs/dbraw/zinc/89/61/42/1181896142.db2.gz PASNAJSVNWCQJH-WCXIOVBPSA-N 2 0 363.506 0.370 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104598959 1182262111 /nfs/dbraw/zinc/26/21/11/1182262111.db2.gz GBBWUTYKLQYQBY-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000311405935 1182302180 /nfs/dbraw/zinc/30/21/80/1182302180.db2.gz WKTKNUFLUCMTHF-FQEVSTJZSA-N 2 0 358.486 0.837 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000973549956 1182384110 /nfs/dbraw/zinc/38/41/10/1182384110.db2.gz CXZWIBPOUFFICP-RFBLXINOSA-N 2 0 359.474 0.771 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892775289 1182496986 /nfs/dbraw/zinc/49/69/86/1182496986.db2.gz ZJYHOQIHJDSALL-INIZCTEOSA-N 2 0 368.522 0.680 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000892917912 1182579055 /nfs/dbraw/zinc/57/90/55/1182579055.db2.gz CXKPLXGHQDMEIM-HNAYVOBHSA-N 2 0 365.522 0.522 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001025683989 1182682654 /nfs/dbraw/zinc/68/26/54/1182682654.db2.gz WDAOLTOSMXBKJC-ARFHVFGLSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001025793963 1182845965 /nfs/dbraw/zinc/84/59/65/1182845965.db2.gz FDOWQHPGBSMNEH-LQYQHUGMSA-N 2 0 357.498 0.977 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)c4ccccc4)C[C@H]32)O1 ZINC001025818231 1182859346 /nfs/dbraw/zinc/85/93/46/1182859346.db2.gz FMPVFJYEOLLQTH-FSPSIFDESA-N 2 0 359.470 0.486 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063295 1182878097 /nfs/dbraw/zinc/87/80/97/1182878097.db2.gz DUZXIVSYJSKEFD-SVMUCYCZSA-N 2 0 368.481 0.267 20 0 FCADRP CN1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+](C)CC1 ZINC000893190020 1182933901 /nfs/dbraw/zinc/93/39/01/1182933901.db2.gz AGQVIMPEJQBGHR-UHFFFAOYSA-N 2 0 373.545 0.974 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104873640 1182968790 /nfs/dbraw/zinc/96/87/90/1182968790.db2.gz COEFXEHRLOAWLS-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP Cc1nnc([C@@H](C)[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001104908371 1182990839 /nfs/dbraw/zinc/99/08/39/1182990839.db2.gz UQLKAIALOFQFOF-IIAWOOMASA-N 2 0 366.510 0.827 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1nnnn1C ZINC001104914082 1182993321 /nfs/dbraw/zinc/99/33/21/1182993321.db2.gz UKEUYINLDXIVFN-RBSFLKMASA-N 2 0 361.494 0.441 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104932906 1183006947 /nfs/dbraw/zinc/00/69/47/1183006947.db2.gz VCKMIQQDQPMPEY-OAGGEKHMSA-N 2 0 366.506 0.598 20 0 FCADRP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1C ZINC001105008021 1183065109 /nfs/dbraw/zinc/06/51/09/1183065109.db2.gz MHOBSIZXDHYMQF-BZUAXINKSA-N 2 0 362.522 0.903 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008273 1183066989 /nfs/dbraw/zinc/06/69/89/1183066989.db2.gz WLSNJEFZPGIWND-ZACQAIPSSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001105008099 1183067008 /nfs/dbraw/zinc/06/70/08/1183067008.db2.gz PZGGBEJNHQZPQL-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014697 1183069046 /nfs/dbraw/zinc/06/90/46/1183069046.db2.gz XQRRCWJQOXMFOS-HZPDHXFCSA-N 2 0 363.510 0.753 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001105067034 1183100820 /nfs/dbraw/zinc/10/08/20/1183100820.db2.gz KAQVIPKQZJHPMD-KZNAEPCWSA-N 2 0 365.522 0.658 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC000974525876 1183299243 /nfs/dbraw/zinc/29/92/43/1183299243.db2.gz FVOKSMIKBVUBOO-QGPMSJSTSA-N 2 0 367.453 0.959 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974567021 1183337152 /nfs/dbraw/zinc/33/71/52/1183337152.db2.gz SZJPEINXVQLGJF-IXDOHACOSA-N 2 0 360.502 0.768 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1 ZINC000974571196 1183352340 /nfs/dbraw/zinc/35/23/40/1183352340.db2.gz NCKQZOZYRPFPKX-IXDOHACOSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC1 ZINC000974585125 1183365015 /nfs/dbraw/zinc/36/50/15/1183365015.db2.gz VDZZONIDJCFRHL-IAGOWNOFSA-N 2 0 360.502 0.483 20 0 FCADRP Cn1cncc1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974587301 1183366574 /nfs/dbraw/zinc/36/65/74/1183366574.db2.gz YYZBIOGBZDOGOH-BFYDXBDKSA-N 2 0 359.474 0.364 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CCC1 ZINC000974592831 1183370644 /nfs/dbraw/zinc/37/06/44/1183370644.db2.gz PAYGXFHXIKEREP-NVXWUHKLSA-N 2 0 360.502 0.626 20 0 FCADRP COCCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026852167 1183413513 /nfs/dbraw/zinc/41/35/13/1183413513.db2.gz LPBWXSYVLXNPKU-RBSFLKMASA-N 2 0 365.478 0.537 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975201990 1183760426 /nfs/dbraw/zinc/76/04/26/1183760426.db2.gz AZHBLMNFMDOAGK-CGTJXYLNSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)[NH+](C)C ZINC000975778971 1185732363 /nfs/dbraw/zinc/73/23/63/1185732363.db2.gz FTUANIKFRDRNRQ-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+][C@H]3CCNC3=O)cc2)CC[N@@H+]1C ZINC001027254979 1185834692 /nfs/dbraw/zinc/83/46/92/1185834692.db2.gz WGRCGWSATCIQSD-OLMNPRSZSA-N 2 0 358.486 0.664 20 0 FCADRP [NH3+]CCc1nnn(-c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)n1 ZINC001167792174 1186071689 /nfs/dbraw/zinc/07/16/89/1186071689.db2.gz YSGJSFKKZOSALF-UHFFFAOYSA-N 2 0 370.461 0.259 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112529735 1186089996 /nfs/dbraw/zinc/08/99/96/1186089996.db2.gz MMIMYARMFHMKRQ-GUXCAODWSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000979800709 1186123430 /nfs/dbraw/zinc/12/34/30/1186123430.db2.gz HQSDSZNWCHNOPK-RTKZEXODSA-N 2 0 362.518 0.679 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966592 1186241955 /nfs/dbraw/zinc/24/19/55/1186241955.db2.gz RMXOBMYJWKXEIU-HYVNUMGLSA-N 2 0 362.474 0.185 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC000981776056 1186516561 /nfs/dbraw/zinc/51/65/61/1186516561.db2.gz DZTDNHIDESDPNZ-RBSFLKMASA-N 2 0 362.474 0.056 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784918 1186520957 /nfs/dbraw/zinc/52/09/57/1186520957.db2.gz WLFJTHUUXKZAHH-IXDOHACOSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000981785803 1186521371 /nfs/dbraw/zinc/52/13/71/1186521371.db2.gz RBQBFEAZKDHXPF-YYIAUSFCSA-N 2 0 362.518 0.824 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC001028146108 1186553858 /nfs/dbraw/zinc/55/38/58/1186553858.db2.gz VLRXUFMUPFCGSB-ARFHVFGLSA-N 2 0 359.474 0.727 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211702840 1186586489 /nfs/dbraw/zinc/58/64/89/1186586489.db2.gz HNFSVXHPPFJRHJ-RBUKOAKNSA-N 2 0 363.502 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+][C@@H]3CCCN(C)C3=O)CCCC2)CC[N@@H+]1C ZINC001481897281 1187546186 /nfs/dbraw/zinc/54/61/86/1187546186.db2.gz UUOVENZBVDUMEC-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000894255722 1187815238 /nfs/dbraw/zinc/81/52/38/1187815238.db2.gz IGPOGXCYGBBBAF-KRWDZBQOSA-N 2 0 368.522 0.849 20 0 FCADRP C[NH+](C)CCC(=O)N1CCc2c(n[nH]c2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001270061738 1187985642 /nfs/dbraw/zinc/98/56/42/1187985642.db2.gz RFYHCKXWJPSNHA-UHFFFAOYSA-N 2 0 362.478 0.070 20 0 FCADRP Cn1cncc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CCC[N@H+](C)C2)C1=O ZINC001270333785 1188098375 /nfs/dbraw/zinc/09/83/75/1188098375.db2.gz WBLHSSWCWOTMNQ-HNAYVOBHSA-N 2 0 359.474 0.855 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001087529575 1189383611 /nfs/dbraw/zinc/38/36/11/1189383611.db2.gz METOOVCKBWLHGX-IPMKNSEASA-N 2 0 361.486 0.979 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1CCCC1=O ZINC001087574707 1189615733 /nfs/dbraw/zinc/61/57/33/1189615733.db2.gz UEEXFGNJKIVLAH-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087796954 1189828077 /nfs/dbraw/zinc/82/80/77/1189828077.db2.gz RWBKXJWWFDIFPV-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001087799326 1189829089 /nfs/dbraw/zinc/82/90/89/1189829089.db2.gz OTOUFJAFQIQQGM-DLBZAZTESA-N 2 0 358.486 0.950 20 0 FCADRP CN(c1ccccc1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000895314855 1189832958 /nfs/dbraw/zinc/83/29/58/1189832958.db2.gz RVRTVLCDTUISGI-IRXDYDNUSA-N 2 0 373.501 0.236 20 0 FCADRP CN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000895333968 1189836170 /nfs/dbraw/zinc/83/61/70/1189836170.db2.gz MZBBDQDPHDIXIQ-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008280 1189911744 /nfs/dbraw/zinc/91/17/44/1189911744.db2.gz CCIFCUGMKUSOPX-IAGOWNOFSA-N 2 0 374.489 0.731 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896009042 1189912271 /nfs/dbraw/zinc/91/22/71/1189912271.db2.gz JNPXWPJJQWJGAC-QGZVFWFLSA-N 2 0 364.490 0.038 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4nnnn4C4CC4)C[C@H]3C2)CC[N@@H+]1C ZINC001087971638 1190032216 /nfs/dbraw/zinc/03/22/16/1190032216.db2.gz KVPSQEDDDHVXHB-PNBKFKSVSA-N 2 0 373.505 0.629 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cnnn3C)C[C@H]2C1 ZINC001087986263 1190114838 /nfs/dbraw/zinc/11/48/38/1190114838.db2.gz DGLHZKUZSILRHK-SOLBZPMBSA-N 2 0 360.506 0.970 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)CCC1 ZINC001087992037 1190142587 /nfs/dbraw/zinc/14/25/87/1190142587.db2.gz AFMPRPGGEMGYOX-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010460 1190209804 /nfs/dbraw/zinc/20/98/04/1190209804.db2.gz VZBKLRZWEBTJKH-IKGGRYGDSA-N 2 0 362.518 0.907 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077103 1190411885 /nfs/dbraw/zinc/41/18/85/1190411885.db2.gz KCYZPPKLHPNWSQ-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)C1CC1 ZINC001088090509 1190538579 /nfs/dbraw/zinc/53/85/79/1190538579.db2.gz RWHDEPCMPQZJTQ-SJORKVTESA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)n1 ZINC001088120857 1190615654 /nfs/dbraw/zinc/61/56/54/1190615654.db2.gz BNFYGIPRDNUCFO-CVEARBPZSA-N 2 0 357.462 0.641 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC1 ZINC001088150428 1190673935 /nfs/dbraw/zinc/67/39/35/1190673935.db2.gz CBWKFQKLVBWAQZ-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664888 1190759692 /nfs/dbraw/zinc/75/96/92/1190759692.db2.gz PTEWUJYFPQCDTA-MSOLQXFVSA-N 2 0 358.486 0.740 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986130787 1190901121 /nfs/dbraw/zinc/90/11/21/1190901121.db2.gz MIYCWJOEPPRLCP-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)C1CCC1 ZINC000986283436 1190944630 /nfs/dbraw/zinc/94/46/30/1190944630.db2.gz OKMBVJCEZWHKKQ-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)C1 ZINC000986423710 1190986115 /nfs/dbraw/zinc/98/61/15/1190986115.db2.gz YPWOWHNYCNZNBP-OAGGEKHMSA-N 2 0 359.474 0.601 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1CCc1nnn(C(C)(C)C)n1 ZINC001088493350 1191008293 /nfs/dbraw/zinc/00/82/93/1191008293.db2.gz IIZJYMQSBQNPHY-ILXRZTDVSA-N 2 0 363.510 0.644 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988190164 1191157776 /nfs/dbraw/zinc/15/77/76/1191157776.db2.gz LVIQZYORHBYKJA-OLMNPRSZSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088563553 1191197665 /nfs/dbraw/zinc/19/76/65/1191197665.db2.gz VKNCJGIKQICDHL-OWCLPIDISA-N 2 0 364.490 0.587 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532618293 1191200199 /nfs/dbraw/zinc/20/01/99/1191200199.db2.gz MRXRLQODQPPAQX-ZWKOTPCHSA-N 2 0 368.522 0.774 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088567568 1191202742 /nfs/dbraw/zinc/20/27/42/1191202742.db2.gz WJRNOYCXMPCYBI-CVEARBPZSA-N 2 0 365.522 0.855 20 0 FCADRP CCN(C)C(=O)CN1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001218128743 1224141804 /nfs/dbraw/zinc/14/18/04/1224141804.db2.gz AECDGGOYYDALHD-YESZJQIVSA-N 2 0 366.506 0.251 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204500 1224147120 /nfs/dbraw/zinc/14/71/20/1224147120.db2.gz AGLHHQDHPYIEDF-BPQIPLTHSA-N 2 0 362.474 0.854 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1CC[NH+](CCF)CC1 ZINC001218223151 1224148413 /nfs/dbraw/zinc/14/84/13/1224148413.db2.gz WZPWANDGVIXRNK-UHFFFAOYSA-N 2 0 370.425 0.573 20 0 FCADRP CC(C)OCC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276778854 1224150844 /nfs/dbraw/zinc/15/08/44/1224150844.db2.gz MAYBKRJZFBRTDK-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP CCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333903 1224155070 /nfs/dbraw/zinc/15/50/70/1224155070.db2.gz YVZNFJCHZJBBOU-VVJOJPPRSA-N 2 0 363.502 0.951 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218362803 1224156180 /nfs/dbraw/zinc/15/61/80/1224156180.db2.gz DSWJSJBOAJMSIY-YESZJQIVSA-N 2 0 369.506 0.170 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1)C(N)=O ZINC001218385418 1224157755 /nfs/dbraw/zinc/15/77/55/1224157755.db2.gz IDQZCYWKNXJWHA-ISWURRPUSA-N 2 0 362.474 0.312 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582235 1193734253 /nfs/dbraw/zinc/73/42/53/1193734253.db2.gz WQJIJGOHDPJXIO-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001218515597 1224166131 /nfs/dbraw/zinc/16/61/31/1224166131.db2.gz JCCOXURQODKFGV-HNNXBMFYSA-N 2 0 362.478 0.262 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550780616 1193787454 /nfs/dbraw/zinc/78/74/54/1193787454.db2.gz IMSXQCPJLSLUFM-DLBZAZTESA-N 2 0 367.538 0.119 20 0 FCADRP COc1ccc(-c2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)n(C)n2)cc1 ZINC001218544023 1224170847 /nfs/dbraw/zinc/17/08/47/1224170847.db2.gz BKJBAHCARYNJFG-MRXNPFEDSA-N 2 0 372.473 0.785 20 0 FCADRP Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757213 1193891821 /nfs/dbraw/zinc/89/18/21/1193891821.db2.gz NWSVPKXUZLILTE-ADVWOHTOSA-N 2 0 371.485 0.727 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000552191193 1193914037 /nfs/dbraw/zinc/91/40/37/1193914037.db2.gz XBNHNDOHCZFAJV-OIISXLGYSA-N 2 0 368.522 0.327 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088770236 1193937001 /nfs/dbraw/zinc/93/70/01/1193937001.db2.gz DIVZSYMOJLMOHN-PVAVHDDUSA-N 2 0 363.506 0.465 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(-c2ccccc2)nn1CCO ZINC001218596739 1224178977 /nfs/dbraw/zinc/17/89/77/1224178977.db2.gz MADZOCZCHNNAOU-MRXNPFEDSA-N 2 0 372.473 0.231 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000552940746 1193960268 /nfs/dbraw/zinc/96/02/68/1193960268.db2.gz IKLDRKBSEUDOSY-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP COC(=O)c1c[nH]c2ncc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc12 ZINC001218613798 1224181993 /nfs/dbraw/zinc/18/19/93/1224181993.db2.gz RSKWJTJATYFIRP-AWEZNQCLSA-N 2 0 360.418 0.038 20 0 FCADRP CCOC(=O)c1cnn2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc12 ZINC001218613963 1224182080 /nfs/dbraw/zinc/18/20/80/1224182080.db2.gz DNYHNRRGSLOPAK-OAHLLOKOSA-N 2 0 374.445 0.200 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553263079 1193985979 /nfs/dbraw/zinc/98/59/79/1193985979.db2.gz CQLIOQDJRFMYRV-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088792516 1194003225 /nfs/dbraw/zinc/00/32/25/1194003225.db2.gz RSSNUEUMCHCZDV-ZACQAIPSSA-N 2 0 363.506 0.697 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C1 ZINC000553712128 1194015872 /nfs/dbraw/zinc/01/58/72/1194015872.db2.gz QUKQOISXHUZQBY-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506100 1194054557 /nfs/dbraw/zinc/05/45/57/1194054557.db2.gz PZFASMQVJBZMIZ-KURKYZTESA-N 2 0 363.506 0.536 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000842191482 1194086301 /nfs/dbraw/zinc/08/63/01/1194086301.db2.gz YDKZWHMXYQKBMD-XLIONFOSSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000842230919 1194108911 /nfs/dbraw/zinc/10/89/11/1194108911.db2.gz LDHPBBYSWXQMET-SFHVURJKSA-N 2 0 358.486 0.748 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765734 1194116953 /nfs/dbraw/zinc/11/69/53/1194116953.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 0 362.478 0.062 20 0 FCADRP CCOC(=O)c1nc(C2CC2)oc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218672358 1224194861 /nfs/dbraw/zinc/19/48/61/1224194861.db2.gz VJDFIHRHRBDLIR-GFCCVEGCSA-N 2 0 365.434 0.418 20 0 FCADRP COc1ccc(N)c(N(C(=O)[C@@H]([NH3+])CCC[NH3+])C2COC(C)(C)OC2)n1 ZINC001218685667 1224197043 /nfs/dbraw/zinc/19/70/43/1224197043.db2.gz ONOCEGMYJGELRH-ZDUSSCGKSA-N 2 0 367.450 0.223 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704985 1224201306 /nfs/dbraw/zinc/20/13/06/1224201306.db2.gz GYKCPCKGYXJMHS-KRWDZBQOSA-N 2 0 366.425 0.646 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076046608 1194273042 /nfs/dbraw/zinc/27/30/42/1194273042.db2.gz CIFNZBLWORKSKR-WMLDXEAASA-N 2 0 351.414 0.772 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001218727794 1224205452 /nfs/dbraw/zinc/20/54/52/1224205452.db2.gz QCQBXHGDHSGLMV-BHYGNILZSA-N 2 0 359.474 0.835 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)n1 ZINC001076107368 1194309225 /nfs/dbraw/zinc/30/92/25/1194309225.db2.gz SOGMOGVPNCNCMR-DLBZAZTESA-N 2 0 357.462 0.714 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001076241682 1194363048 /nfs/dbraw/zinc/36/30/48/1194363048.db2.gz XSJCJVWOOSDRGB-JCGIZDLHSA-N 2 0 360.506 0.912 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001218757859 1224212575 /nfs/dbraw/zinc/21/25/75/1224212575.db2.gz JXVYNJBWAMDGDW-DLBZAZTESA-N 2 0 365.478 0.006 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001076323830 1194396681 /nfs/dbraw/zinc/39/66/81/1194396681.db2.gz HGZBMKGCDNLMAE-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276795499 1224219886 /nfs/dbraw/zinc/21/98/86/1224219886.db2.gz LGIXMJFMPXOYLE-VQIMIIECSA-N 2 0 363.506 0.557 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001076604170 1194588850 /nfs/dbraw/zinc/58/88/50/1194588850.db2.gz QCGNYUYEWATGEP-OKZBNKHCSA-N 2 0 356.470 0.783 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]2(N)CCC[NH2+]C2)cc1 ZINC001218854941 1224241194 /nfs/dbraw/zinc/24/11/94/1224241194.db2.gz CVFWCTASIWOGGH-IBGZPJMESA-N 2 0 361.490 0.778 20 0 FCADRP N[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC001218869742 1224241620 /nfs/dbraw/zinc/24/16/20/1224241620.db2.gz DXXMHKUJQVEJEL-INIZCTEOSA-N 2 0 368.441 0.269 20 0 FCADRP O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218860209 1224241967 /nfs/dbraw/zinc/24/19/67/1224241967.db2.gz UTYHRAZLSYZDJF-QGZVFWFLSA-N 2 0 360.458 0.430 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1CCC(O)CC1 ZINC001218882013 1224248074 /nfs/dbraw/zinc/24/80/74/1224248074.db2.gz KIXNFRDOCNCBAV-KVULBXGLSA-N 2 0 360.458 0.549 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2F)CC1 ZINC001218889035 1224249714 /nfs/dbraw/zinc/24/97/14/1224249714.db2.gz IXRWJZZTKPAOTO-HNNXBMFYSA-N 3 0 361.465 0.715 20 0 FCADRP COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218932535 1224263337 /nfs/dbraw/zinc/26/33/37/1224263337.db2.gz PXYGITIUKZKOFC-ADLMAVQZSA-N 2 0 361.398 0.397 20 0 FCADRP Cc1nc(C)c(CN2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)o1 ZINC001218970609 1224274922 /nfs/dbraw/zinc/27/49/22/1224274922.db2.gz LWECNXKUUSHNJU-DOTOQJQBSA-N 2 0 366.462 0.281 20 0 FCADRP CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCN3)c2)CC1 ZINC001218961993 1224273513 /nfs/dbraw/zinc/27/35/13/1224273513.db2.gz DOSJZXBBYXLJMP-SFHVURJKSA-N 2 0 374.485 0.962 20 0 FCADRP Cc1cccnc1CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970489 1224274682 /nfs/dbraw/zinc/27/46/82/1224274682.db2.gz HTEWZAKWZYECDU-ZWKOTPCHSA-N 2 0 362.474 0.380 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218971314 1224275405 /nfs/dbraw/zinc/27/54/05/1224275405.db2.gz XZNGGBBTXJTWKO-RCCFBDPRSA-N 2 0 369.506 0.291 20 0 FCADRP COc1cc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(C(N)=O)cc1OC ZINC001218968456 1224275601 /nfs/dbraw/zinc/27/56/01/1224275601.db2.gz HHUFMBIWLIKBSC-LBPRGKRZSA-N 2 0 362.430 0.615 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276166 1195376253 /nfs/dbraw/zinc/37/62/53/1195376253.db2.gz PCDHRUBKSRJJIF-CGTJXYLNSA-N 2 0 358.442 0.987 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276323 1195377429 /nfs/dbraw/zinc/37/74/29/1195377429.db2.gz XOFAHLUSJXQGSP-QZTJIDSGSA-N 2 0 368.441 0.394 20 0 FCADRP COC(=O)c1c[nH]c2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc12 ZINC001218985419 1224278557 /nfs/dbraw/zinc/27/85/57/1224278557.db2.gz HJVMTKOXBCXQPB-HNNXBMFYSA-N 2 0 359.430 0.643 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366333 1195466257 /nfs/dbraw/zinc/46/62/57/1195466257.db2.gz BTNYDEQFKAWUSI-QZTJIDSGSA-N 2 0 371.441 0.469 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366686 1195466955 /nfs/dbraw/zinc/46/69/55/1195466955.db2.gz VPAXHQADRCZONV-KBAYOESNSA-N 2 0 371.441 0.611 20 0 FCADRP CCCC[C@@H](C(N)=O)N1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004272 1224285276 /nfs/dbraw/zinc/28/52/76/1224285276.db2.gz DJVJJNOWIVNBNN-YESZJQIVSA-N 2 0 368.522 0.674 20 0 FCADRP CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000906682123 1195645287 /nfs/dbraw/zinc/64/52/87/1195645287.db2.gz MKSCYMOTTIFCAJ-HOTGVXAUSA-N 2 0 360.458 0.918 20 0 FCADRP O=C(Nc1ccccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cnccn1 ZINC001219020511 1224295097 /nfs/dbraw/zinc/29/50/97/1224295097.db2.gz BGOUZLHGBAPPHU-GFCCVEGCSA-N 2 0 352.398 0.476 20 0 FCADRP COc1ccc(CN2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cc1 ZINC001083601798 1195664874 /nfs/dbraw/zinc/66/48/74/1195664874.db2.gz NPFOJKYQIYKMRH-MSOLQXFVSA-N 2 0 359.470 0.985 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000906861638 1195670155 /nfs/dbraw/zinc/67/01/55/1195670155.db2.gz XOHJAHPDKYUJQE-UHFFFAOYSA-N 2 0 374.529 0.753 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(OC2CCOCC2)cc1 ZINC001219035517 1224307438 /nfs/dbraw/zinc/30/74/38/1224307438.db2.gz CBTJRFOXTDSUHW-SFHVURJKSA-N 2 0 362.474 0.933 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000910829193 1195850675 /nfs/dbraw/zinc/85/06/75/1195850675.db2.gz OLQWIWPLNGTXBF-RDJZCZTQSA-N 2 0 359.474 0.671 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000910831220 1195851078 /nfs/dbraw/zinc/85/10/78/1195851078.db2.gz WUYAUBOXDKZXRE-OXJNMPFZSA-N 2 0 371.485 0.673 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000910960461 1195868929 /nfs/dbraw/zinc/86/89/29/1195868929.db2.gz UOXLKWFCWLXOPY-UHFFFAOYSA-N 2 0 358.486 0.716 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)C1CC1 ZINC000911052211 1195878833 /nfs/dbraw/zinc/87/88/33/1195878833.db2.gz BPZXZKQFIMUIHV-UHFFFAOYSA-N 2 0 358.486 0.716 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000911165214 1195903108 /nfs/dbraw/zinc/90/31/08/1195903108.db2.gz OVWSTRHODAQBDI-CYGHRXIMSA-N 2 0 358.486 0.819 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000911190318 1195906634 /nfs/dbraw/zinc/90/66/34/1195906634.db2.gz HUKOKEOXFABALS-UHFFFAOYSA-N 2 0 365.566 0.498 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000911217378 1195917359 /nfs/dbraw/zinc/91/73/59/1195917359.db2.gz BMYJWTXBTPEABN-QZTJIDSGSA-N 2 0 356.470 0.718 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000911231209 1195924596 /nfs/dbraw/zinc/92/45/96/1195924596.db2.gz YEBKXBOZCFRIIW-INIZCTEOSA-N 2 0 366.506 0.396 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318375 1195938196 /nfs/dbraw/zinc/93/81/96/1195938196.db2.gz GHNNNSWCRVCWME-DLBZAZTESA-N 2 0 368.522 0.658 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000911403732 1195954947 /nfs/dbraw/zinc/95/49/47/1195954947.db2.gz SBBGLYPBFUNZGS-ZWKOTPCHSA-N 2 0 367.453 0.717 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054621 1224323835 /nfs/dbraw/zinc/32/38/35/1224323835.db2.gz HCGNQDFZCYLKLH-IXDOHACOSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000911704365 1196308765 /nfs/dbraw/zinc/30/87/65/1196308765.db2.gz DCSCWPDSJYVXFT-CABCVRRESA-N 2 0 359.474 0.436 20 0 FCADRP [NH3+]Cc1ccc2nc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cn2c1 ZINC000911705596 1196308930 /nfs/dbraw/zinc/30/89/30/1196308930.db2.gz NPNATGFRNDEIRM-OAHLLOKOSA-N 2 0 370.457 0.077 20 0 FCADRP C[NH+]1CCC(N(CCO)C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000911939257 1196322632 /nfs/dbraw/zinc/32/26/32/1196322632.db2.gz SMCCAMXAPIZHTP-UHFFFAOYSA-N 2 0 374.529 0.963 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654907 1196350667 /nfs/dbraw/zinc/35/06/67/1196350667.db2.gz LVUJLMRTAHRFEP-QGRXYFRJSA-N 2 0 363.502 0.591 20 0 FCADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083668886 1196392348 /nfs/dbraw/zinc/39/23/48/1196392348.db2.gz KUQNFDIRYCIXFL-LZQZEXGQSA-N 2 0 361.486 0.602 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)c21 ZINC000592959599 1196600543 /nfs/dbraw/zinc/60/05/43/1196600543.db2.gz NEHIYLWSLUGUDD-MRXNPFEDSA-N 2 0 361.490 0.904 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000594077374 1196690152 /nfs/dbraw/zinc/69/01/52/1196690152.db2.gz WCVBASVEKLPAFL-SFHVURJKSA-N 2 0 373.501 0.684 20 0 FCADRP COC(=O)C1CN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)cc2)C1 ZINC001219127258 1224363277 /nfs/dbraw/zinc/36/32/77/1224363277.db2.gz ZMOWOAQJOLVFKU-AUUYWEPGSA-N 2 0 358.442 0.433 20 0 FCADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ncn1 ZINC000594702750 1196734672 /nfs/dbraw/zinc/73/46/72/1196734672.db2.gz WQFAJYMUCIFDLD-KRXQYRFLSA-N 2 0 374.489 0.840 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc2c(c1)nnn2C ZINC001089037727 1196872037 /nfs/dbraw/zinc/87/20/37/1196872037.db2.gz PAKYOIOVPADHSC-KBMXLJTQSA-N 2 0 356.474 0.999 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C2)CC[N@@H+]1C ZINC000992086709 1196944522 /nfs/dbraw/zinc/94/45/22/1196944522.db2.gz GXEDYSUOLYWDRK-CZUORRHYSA-N 2 0 368.441 0.548 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@@H]1C[NH2+]CCN1 ZINC001219194105 1224383116 /nfs/dbraw/zinc/38/31/16/1224383116.db2.gz ZVPNSJMPOAFIAB-HNNXBMFYSA-N 2 0 371.407 0.611 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000992320866 1197066689 /nfs/dbraw/zinc/06/66/89/1197066689.db2.gz YJWJKRXOEKPQEC-MUKKUYKPSA-N 2 0 368.497 0.866 20 0 FCADRP C[NH+](C)CC1(O)CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000913680590 1197106831 /nfs/dbraw/zinc/10/68/31/1197106831.db2.gz VYHQFIOBYYUYPL-FQEVSTJZSA-N 2 0 361.486 0.539 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925399369 1197130685 /nfs/dbraw/zinc/13/06/85/1197130685.db2.gz KXDBFDYYMDBGAI-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(NC(C)=O)cc1OC ZINC001219226106 1224393717 /nfs/dbraw/zinc/39/37/17/1224393717.db2.gz XXTAXRSCRSQRHJ-LBPRGKRZSA-N 2 0 366.418 0.835 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106196167 1197629660 /nfs/dbraw/zinc/62/96/60/1197629660.db2.gz UXFHUWRSAGLJTO-BRWVUGGUSA-N 2 0 370.513 0.973 20 0 FCADRP CC1(C)c2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc2CNC1=O ZINC001219336724 1224432600 /nfs/dbraw/zinc/43/26/00/1224432600.db2.gz QCHUEKJZQRJNKT-INIZCTEOSA-N 2 0 359.474 0.283 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743956 /nfs/dbraw/zinc/74/39/56/1197743956.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 2 0 365.522 0.317 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106244574 1197775823 /nfs/dbraw/zinc/77/58/23/1197775823.db2.gz PWMPFIVMQRANBJ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001085275241 1197783440 /nfs/dbraw/zinc/78/34/40/1197783440.db2.gz WNQUEOMIVNJMAB-BZUAXINKSA-N 2 0 369.425 0.770 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273317010 1197797273 /nfs/dbraw/zinc/79/72/73/1197797273.db2.gz ULVKLFYSOVLEJP-HOTGVXAUSA-N 2 0 364.490 0.051 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106272184 1197811839 /nfs/dbraw/zinc/81/18/39/1197811839.db2.gz UCUTVFYDVBEQPS-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085332372 1197825024 /nfs/dbraw/zinc/82/50/24/1197825024.db2.gz VBMFOINHEPKXQC-GVDBMIGSSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727359 1197833942 /nfs/dbraw/zinc/83/39/42/1197833942.db2.gz YZXMFHHCSLTNFP-NLNMYJFZSA-N 2 0 361.486 0.612 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1)[NH+](C)C ZINC001106313281 1197862444 /nfs/dbraw/zinc/86/24/44/1197862444.db2.gz VKGCIICHEVJCBO-BFYDXBDKSA-N 2 0 364.490 0.920 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316339 1197862978 /nfs/dbraw/zinc/86/29/78/1197862978.db2.gz QGXFBTXCLKCVBY-ZACQAIPSSA-N 2 0 371.522 0.036 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106378057 1197889521 /nfs/dbraw/zinc/88/95/21/1197889521.db2.gz FUHXAEHZONTOEQ-GDBMZVCRSA-N 2 0 353.430 0.924 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716147 1197946821 /nfs/dbraw/zinc/94/68/21/1197946821.db2.gz KIQXYZOUGXPBND-QUCCMNQESA-N 2 0 374.529 0.479 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106515750 1197991638 /nfs/dbraw/zinc/99/16/38/1197991638.db2.gz BASWVUCDUAGJRZ-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001086090682 1198156907 /nfs/dbraw/zinc/15/69/07/1198156907.db2.gz MEYRNKPQFUYSAR-OVYGPGRDSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001006289096 1198252908 /nfs/dbraw/zinc/25/29/08/1198252908.db2.gz PQCAUWQSDUNAEH-FPCVCCKLSA-N 2 0 359.474 0.932 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086205311 1198254005 /nfs/dbraw/zinc/25/40/05/1198254005.db2.gz KVDIKPOZEWXKCF-TVNOUSRMSA-N 2 0 358.486 0.690 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743980424 1198301997 /nfs/dbraw/zinc/30/19/97/1198301997.db2.gz FUXXWUPVJREZHA-INIZCTEOSA-N 2 0 373.501 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001086371096 1198332817 /nfs/dbraw/zinc/33/28/17/1198332817.db2.gz PWKVWGCNZLOTRV-YHUYYLMFSA-N 2 0 366.485 0.962 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@H]1C[NH2+]CCO1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501589 1224489092 /nfs/dbraw/zinc/48/90/92/1224489092.db2.gz XIGOKOUQRXKLJK-VOJFVSQTSA-N 2 0 360.414 0.195 20 0 FCADRP C[C@@H]1CN(c2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)nn2)CC[NH2+]1 ZINC001168878660 1199038726 /nfs/dbraw/zinc/03/87/26/1199038726.db2.gz WDEXENLIQRQYDP-GFCCVEGCSA-N 2 0 351.418 0.376 20 0 FCADRP CC[NH+]1CCC([NH2+]CCCC[C@H](NC(=O)CNC(C)=O)C(=O)OC)CC1 ZINC001169244197 1199058038 /nfs/dbraw/zinc/05/80/38/1199058038.db2.gz HJUCCZUYBANQCX-INIZCTEOSA-N 2 0 370.494 0.025 20 0 FCADRP CC(=O)N1CCC[C@@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)C1 ZINC001169605103 1199080552 /nfs/dbraw/zinc/08/05/52/1199080552.db2.gz IYTCQAUCHWWELP-GOSISDBHSA-N 2 0 360.502 0.821 20 0 FCADRP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCCCC1 ZINC000766880138 1199100695 /nfs/dbraw/zinc/10/06/95/1199100695.db2.gz JXMNGBMJKHBQGI-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000766959094 1199105043 /nfs/dbraw/zinc/10/50/43/1199105043.db2.gz CTKCOOSEIKLNMW-QZTJIDSGSA-N 2 0 363.506 0.909 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766959095 1199105705 /nfs/dbraw/zinc/10/57/05/1199105705.db2.gz CTKCOOSEIKLNMW-ROUUACIJSA-N 2 0 363.506 0.909 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370394 1199129689 /nfs/dbraw/zinc/12/96/89/1199129689.db2.gz RMNOETVQPPCVHD-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001219655942 1224545237 /nfs/dbraw/zinc/54/52/37/1224545237.db2.gz BXOLRZYIOQUEJG-OWYHZJEWSA-N 2 0 361.486 0.705 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001219666416 1224550341 /nfs/dbraw/zinc/55/03/41/1224550341.db2.gz IMVRTDFDOQCLII-WOSRLPQWSA-N 2 0 358.446 0.366 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219703184 1224566661 /nfs/dbraw/zinc/56/66/61/1224566661.db2.gz DGOKZYCTWOWRPC-GOSISDBHSA-N 3 0 358.486 0.401 20 0 FCADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219707803 1224567631 /nfs/dbraw/zinc/56/76/31/1224567631.db2.gz ROXHSGSDHYWXRY-UHFFFAOYSA-N 2 0 352.442 0.462 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001219720364 1224573922 /nfs/dbraw/zinc/57/39/22/1224573922.db2.gz KDDKWSMQFIAZHQ-HDMKZQKVSA-N 2 0 358.442 0.612 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001219723388 1224576362 /nfs/dbraw/zinc/57/63/62/1224576362.db2.gz LREVWLSCOIEQAZ-MOPGFXCFSA-N 3 0 372.513 0.593 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCN1 ZINC001219723280 1224576670 /nfs/dbraw/zinc/57/66/70/1224576670.db2.gz KMRLLAFTBATYOK-MSOLQXFVSA-N 2 0 358.486 0.550 20 0 FCADRP [NH3+][C@H](CO)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726443 1224579249 /nfs/dbraw/zinc/57/92/49/1224579249.db2.gz JJSMLNGRQIYMOE-MSOLQXFVSA-N 3 0 360.502 0.314 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726493 1224579913 /nfs/dbraw/zinc/57/99/13/1224579913.db2.gz KCUAEBYHMZUNHC-LJQANCHMSA-N 4 0 373.545 0.543 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219746026 1224591081 /nfs/dbraw/zinc/59/10/81/1224591081.db2.gz DROUOKZROHTHKN-UHFFFAOYSA-N 2 0 369.473 0.395 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)/C=C/C(=O)NCC[NH3+])CC21CC[NH2+]CC1 ZINC001219753373 1224596324 /nfs/dbraw/zinc/59/63/24/1224596324.db2.gz GTIXXVJCIDWRAD-LAQIPUCWSA-N 2 0 356.470 0.808 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765809 1224602542 /nfs/dbraw/zinc/60/25/42/1224602542.db2.gz CSRBOCIVKDRLDS-JLSDUUJJSA-N 2 0 353.470 0.515 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001109512526 1200353228 /nfs/dbraw/zinc/35/32/28/1200353228.db2.gz MBOPLJOYLDWZSD-NJAFHUGGSA-N 2 0 371.441 0.611 20 0 FCADRP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538504 1200371518 /nfs/dbraw/zinc/37/15/18/1200371518.db2.gz FQWFPFKVQAYHIQ-OWEAFNKSSA-N 2 0 363.502 0.996 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1cccnc1N1CC[NH2+]CC1 ZINC001219790088 1224613015 /nfs/dbraw/zinc/61/30/15/1224613015.db2.gz FMXZPWCBAGFIJD-MRXNPFEDSA-N 2 0 368.485 0.832 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219791965 1224614677 /nfs/dbraw/zinc/61/46/77/1224614677.db2.gz XTMAGJQIDDIJAO-APWZRJJASA-N 2 0 359.518 0.788 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219795685 1224615668 /nfs/dbraw/zinc/61/56/68/1224615668.db2.gz DQOFXNIIWAMQKY-LJQANCHMSA-N 3 0 363.550 0.393 20 0 FCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001109847892 1200560281 /nfs/dbraw/zinc/56/02/81/1200560281.db2.gz MRAUFKCHJOPNKY-FXUDXRNXSA-N 2 0 373.444 0.854 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219804138 1224623067 /nfs/dbraw/zinc/62/30/67/1224623067.db2.gz NPWDEALLPSEINJ-QYZOEREBSA-N 2 0 360.502 0.754 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001110019237 1200708520 /nfs/dbraw/zinc/70/85/20/1200708520.db2.gz MFQYZZHDMCFRMM-OWSLCNJRSA-N 2 0 363.506 0.697 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001110017823 1200709194 /nfs/dbraw/zinc/70/91/94/1200709194.db2.gz OCLYFJNUBGGBNL-OWSLCNJRSA-N 2 0 371.522 0.464 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219809437 1224628235 /nfs/dbraw/zinc/62/82/35/1224628235.db2.gz KEVGEOOFDDVXSE-KRWDZBQOSA-N 2 0 359.430 0.566 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219812568 1224629859 /nfs/dbraw/zinc/62/98/59/1224629859.db2.gz FIRPGTCJTSSHLF-YJLNNSPDSA-N 2 0 357.454 0.421 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219815895 1224631037 /nfs/dbraw/zinc/63/10/37/1224631037.db2.gz PVGARDKACFYFJQ-MOPGFXCFSA-N 2 0 361.486 0.883 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112557705 1200784612 /nfs/dbraw/zinc/78/46/12/1200784612.db2.gz TWXXWVHAJOBKND-VKJFTORMSA-N 2 0 363.510 0.831 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112563337 1200796368 /nfs/dbraw/zinc/79/63/68/1200796368.db2.gz QVYKEPRXTQESBH-LNLFQRSKSA-N 2 0 360.506 0.838 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112586367 1200822622 /nfs/dbraw/zinc/82/26/22/1200822622.db2.gz WCUPNAOVTFOMJJ-DOXZYTNZSA-N 2 0 364.490 0.350 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787122458 1200864542 /nfs/dbraw/zinc/86/45/42/1200864542.db2.gz IAXPOZOKWGCGGP-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829901 1224641269 /nfs/dbraw/zinc/64/12/69/1224641269.db2.gz HQFCPASOKGLUDN-BBWFWOEESA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000788481009 1200962562 /nfs/dbraw/zinc/96/25/62/1200962562.db2.gz NWCHFPJJGBKAEK-UHFFFAOYSA-N 2 0 360.506 0.777 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837135 1224646896 /nfs/dbraw/zinc/64/68/96/1224646896.db2.gz HWEVGCLQLMJHMO-ADLFWFRXSA-N 2 0 359.470 0.240 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837138 1224647011 /nfs/dbraw/zinc/64/70/11/1224647011.db2.gz HWEVGCLQLMJHMO-WNYOCNMUSA-N 2 0 359.470 0.240 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838639 1224647452 /nfs/dbraw/zinc/64/74/52/1224647452.db2.gz SMDLSTKWNJTHPC-SKDZVZGDSA-N 2 0 369.412 0.346 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O)[NH+](C)C ZINC001219846849 1224651210 /nfs/dbraw/zinc/65/12/10/1224651210.db2.gz GWGOIBTTXJOAPT-QYZOEREBSA-N 2 0 363.502 0.951 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1[nH]c(=O)c(CC[NH3+])c1C ZINC001170338703 1201208060 /nfs/dbraw/zinc/20/80/60/1201208060.db2.gz WYNRVJXAWPQTGN-CABCVRRESA-N 2 0 359.430 0.567 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793698386 1201257887 /nfs/dbraw/zinc/25/78/87/1201257887.db2.gz JZIJYXWTHQJAHE-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793902488 1201274603 /nfs/dbraw/zinc/27/46/03/1201274603.db2.gz RFWGNZVEEVEKQN-QZWWFDLISA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400525 1201307044 /nfs/dbraw/zinc/30/70/44/1201307044.db2.gz RJBPFXWAFVOXMZ-BBWFWOEESA-N 2 0 366.510 0.513 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461650 1201326753 /nfs/dbraw/zinc/32/67/53/1201326753.db2.gz YJBQVKXLMFENIN-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461638 1201327867 /nfs/dbraw/zinc/32/78/67/1201327867.db2.gz YDZVKSWTDAJGME-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001129884583 1201412659 /nfs/dbraw/zinc/41/26/59/1201412659.db2.gz OSJODPQQHCNNHY-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1ccnn1 ZINC001129918516 1201439847 /nfs/dbraw/zinc/43/98/47/1201439847.db2.gz BGHJZCFGFFRMKA-SJORKVTESA-N 2 0 357.462 0.951 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001129918508 1201439969 /nfs/dbraw/zinc/43/99/69/1201439969.db2.gz AZLXCWJPZVKAPQ-CVEARBPZSA-N 2 0 366.510 0.777 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129942898 1201444356 /nfs/dbraw/zinc/44/43/56/1201444356.db2.gz HIRMGSDCGMRHJL-IXDOHACOSA-N 2 0 362.478 0.140 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898201 1224673676 /nfs/dbraw/zinc/67/36/76/1224673676.db2.gz HILYNVXNZYVINY-KBPBESRZSA-N 2 0 362.409 0.165 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902412 1224674798 /nfs/dbraw/zinc/67/47/98/1224674798.db2.gz AZWLTMQMPNZFOJ-KURKYZTESA-N 2 0 363.502 0.482 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001129994294 1201464251 /nfs/dbraw/zinc/46/42/51/1201464251.db2.gz FXWSNCYPUIFKKL-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP CO[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129992012 1201470388 /nfs/dbraw/zinc/47/03/88/1201470388.db2.gz HSOUNQOXKYTBOS-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130047676 1201486299 /nfs/dbraw/zinc/48/62/99/1201486299.db2.gz NNWTUOCRAVGQMB-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047519 1201486724 /nfs/dbraw/zinc/48/67/24/1201486724.db2.gz FOBWDTXCFQSZLG-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CCCCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086041 1201494157 /nfs/dbraw/zinc/49/41/57/1201494157.db2.gz ILQCXTQQJKVNDO-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130074962 1201494754 /nfs/dbraw/zinc/49/47/54/1201494754.db2.gz KBJANZYWRGYSRB-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130106939 1201502098 /nfs/dbraw/zinc/50/20/98/1201502098.db2.gz ARASTODJVJYPAL-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919641 1224680461 /nfs/dbraw/zinc/68/04/61/1224680461.db2.gz HAWDEUVXWYJERL-KURKYZTESA-N 2 0 362.474 0.638 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC(C)(C)C2)n1 ZINC001130237911 1201560829 /nfs/dbraw/zinc/56/08/29/1201560829.db2.gz JLQPURKARPVUTG-KBPBESRZSA-N 2 0 364.494 0.635 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931523 1224688026 /nfs/dbraw/zinc/68/80/26/1224688026.db2.gz UHFMRDIQJYUANQ-INIZCTEOSA-N 2 0 361.490 0.654 20 0 FCADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999271 1224722449 /nfs/dbraw/zinc/72/24/49/1224722449.db2.gz OLUCFBRJPLBNJO-RTBURBONSA-N 2 0 359.518 0.690 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cnc2[nH]ccc2c1 ZINC001220012752 1224727429 /nfs/dbraw/zinc/72/74/29/1224727429.db2.gz BKZRRYMUGLSYJL-HOTGVXAUSA-N 2 0 372.473 0.626 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061609 1224741257 /nfs/dbraw/zinc/74/12/57/1224741257.db2.gz VDAFWBFYMJDRFJ-LZQZEXGQSA-N 2 0 363.502 0.727 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001130596841 1202728485 /nfs/dbraw/zinc/72/84/85/1202728485.db2.gz SINYNDROMSGDEX-CWLKWCNXSA-N 2 0 363.506 0.417 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610625 1202729929 /nfs/dbraw/zinc/72/99/29/1202729929.db2.gz OKJFVWXHTBYGRL-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607857 1202733884 /nfs/dbraw/zinc/73/38/84/1202733884.db2.gz NTMOWTNQCJEEBM-YQQAZPJKSA-N 2 0 363.506 0.823 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130657109 1202748842 /nfs/dbraw/zinc/74/88/42/1202748842.db2.gz ZBISOCCMHNMRCA-XYJFISCASA-N 2 0 365.522 0.807 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)cn1 ZINC001130670268 1202751853 /nfs/dbraw/zinc/75/18/53/1202751853.db2.gz UHYUNOHGCPOHLJ-FUHWJXTLSA-N 2 0 371.489 0.554 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712663 1202759505 /nfs/dbraw/zinc/75/95/05/1202759505.db2.gz GDHWSLMAHDUVGM-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712907 1202759865 /nfs/dbraw/zinc/75/98/65/1202759865.db2.gz RPVFXDLUZSSHSE-FUHWJXTLSA-N 2 0 365.522 0.928 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130736353 1202769250 /nfs/dbraw/zinc/76/92/50/1202769250.db2.gz CJMIAXKATSTESD-XYJFISCASA-N 2 0 365.522 0.805 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000806813746 1202777130 /nfs/dbraw/zinc/77/71/30/1202777130.db2.gz ANQDYACOKKKXLM-BQFCYCMXSA-N 2 0 368.522 0.726 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1)[NH+](C)C ZINC001130809458 1202802908 /nfs/dbraw/zinc/80/29/08/1202802908.db2.gz ZKIRZJGUSLTPPB-MELADBBJSA-N 2 0 370.473 0.930 20 0 FCADRP C[C@@H](F)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802490 1202803799 /nfs/dbraw/zinc/80/37/99/1202803799.db2.gz WIQIUZWUVZACKN-HZSPNIEDSA-N 2 0 370.473 0.930 20 0 FCADRP C[C@H](F)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802491 1202804007 /nfs/dbraw/zinc/80/40/07/1202804007.db2.gz WIQIUZWUVZACKN-MELADBBJSA-N 2 0 370.473 0.930 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130815841 1202806781 /nfs/dbraw/zinc/80/67/81/1202806781.db2.gz CFXVCGDVSCXBLS-HZSPNIEDSA-N 2 0 368.457 0.542 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003980 1202841222 /nfs/dbraw/zinc/84/12/22/1202841222.db2.gz VUUWORNPIHFGAC-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008168 1202842114 /nfs/dbraw/zinc/84/21/14/1202842114.db2.gz UYILAACSOOBTMP-USXIJHARSA-N 2 0 363.506 0.823 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCO ZINC001131012971 1202844963 /nfs/dbraw/zinc/84/49/63/1202844963.db2.gz VSEWKCKHLKUVGK-GVDBMIGSSA-N 2 0 363.506 0.561 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000807777887 1202850838 /nfs/dbraw/zinc/85/08/38/1202850838.db2.gz VJKDTNYBDDEIAF-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131060009 1202854010 /nfs/dbraw/zinc/85/40/10/1202854010.db2.gz UQKQBWROPKHUCE-USXIJHARSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)c1cnccn1 ZINC001131062015 1202854167 /nfs/dbraw/zinc/85/41/67/1202854167.db2.gz RFYXGMMCCGCZRK-ZMSDIMECSA-N 2 0 371.489 0.807 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001131061798 1202854305 /nfs/dbraw/zinc/85/43/05/1202854305.db2.gz LXCUZKUBABQNBR-IAGOWNOFSA-N 2 0 356.474 0.851 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C)OC ZINC001131121132 1202865957 /nfs/dbraw/zinc/86/59/57/1202865957.db2.gz NTUQWHWHCWHWBG-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131132415 1202870050 /nfs/dbraw/zinc/87/00/50/1202870050.db2.gz JUEUMLLRFSKLTR-ZACQAIPSSA-N 2 0 363.506 0.561 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313332 1202887858 /nfs/dbraw/zinc/88/78/58/1202887858.db2.gz OJYPQZHSFGJNCV-OAGGEKHMSA-N 2 0 364.490 0.843 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313484 1202888079 /nfs/dbraw/zinc/88/80/79/1202888079.db2.gz UIIJTOVYFYTFAO-OAGGEKHMSA-N 2 0 364.490 0.844 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001131519560 1202909023 /nfs/dbraw/zinc/90/90/23/1202909023.db2.gz RKCSVEXSAPIYJP-NUJGCVRESA-N 2 0 368.522 0.448 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001131562579 1202914498 /nfs/dbraw/zinc/91/44/98/1202914498.db2.gz ZSLLFGHRWHAIPS-OGWOLHLISA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1)[NH+](C)C ZINC001131570658 1202915222 /nfs/dbraw/zinc/91/52/22/1202915222.db2.gz LXIZPYYAZUWAAZ-MHORFTMASA-N 2 0 371.522 0.320 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131583190 1202917981 /nfs/dbraw/zinc/91/79/81/1202917981.db2.gz UTHREZVQCIDZJQ-LESCRADOSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813330472 1202993382 /nfs/dbraw/zinc/99/33/82/1202993382.db2.gz YHBZLRHGEONFAF-ZDUSSCGKSA-N 2 0 359.474 0.893 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086712024 1202995722 /nfs/dbraw/zinc/99/57/22/1202995722.db2.gz MDJJISBBILIZDT-BBWFWOEESA-N 2 0 365.522 0.761 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)[C@@H](c2ccccc2)C1 ZINC001134121373 1203014812 /nfs/dbraw/zinc/01/48/12/1203014812.db2.gz ZKNYWWJLGGSMHO-MSOLQXFVSA-N 2 0 358.486 0.564 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126430 1203015638 /nfs/dbraw/zinc/01/56/38/1203015638.db2.gz QEDGCHLKCGRVHM-OLMNPRSZSA-N 2 0 358.486 0.705 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C[NH+](C)C ZINC000815684237 1203047443 /nfs/dbraw/zinc/04/74/43/1203047443.db2.gz IIAPDVKUEJEHQX-HNNXBMFYSA-N 2 0 361.490 0.691 20 0 FCADRP Cc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001086732079 1203056869 /nfs/dbraw/zinc/05/68/69/1203056869.db2.gz UEDMAGTTYMACFW-YYIAUSFCSA-N 2 0 361.490 0.879 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086761562 1203083357 /nfs/dbraw/zinc/08/33/57/1203083357.db2.gz LIQLJTRWEFZJOS-WFEXCFOASA-N 2 0 361.446 0.307 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001170874868 1203109902 /nfs/dbraw/zinc/10/99/02/1203109902.db2.gz PJBKKACBMVLBNG-UMVBOHGHSA-N 2 0 359.430 0.558 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000817926531 1203126722 /nfs/dbraw/zinc/12/67/22/1203126722.db2.gz MGUZMRUSLPURDH-RTBURBONSA-N 2 0 372.513 0.830 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000817989164 1203131458 /nfs/dbraw/zinc/13/14/58/1203131458.db2.gz KIJJCSCJEUQMCO-OFLPRAFFSA-N 2 0 368.522 0.674 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822957147 1203242449 /nfs/dbraw/zinc/24/24/49/1203242449.db2.gz XZVURRXYTBIARP-OAHLLOKOSA-N 2 0 358.446 0.804 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844169617 1203337479 /nfs/dbraw/zinc/33/74/79/1203337479.db2.gz ARCUHXSBXWFGOW-KRWDZBQOSA-N 2 0 361.490 0.721 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000844192534 1203338626 /nfs/dbraw/zinc/33/86/26/1203338626.db2.gz WUWBTVOYGOKOQW-OALUTQOASA-N 2 0 360.502 0.860 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000844190949 1203338774 /nfs/dbraw/zinc/33/87/74/1203338774.db2.gz GSRWOVSVZUYJAN-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220158664 1224791559 /nfs/dbraw/zinc/79/15/59/1224791559.db2.gz CXOISKGVZILOJU-VKJFTORMSA-N 2 0 358.490 0.568 20 0 FCADRP COC(=O)[C@@]1(NC(=O)C2(N)CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228159 1224809695 /nfs/dbraw/zinc/80/96/95/1224809695.db2.gz BYSJUBLBTLCXSB-LJQANCHMSA-N 2 0 360.458 0.001 20 0 FCADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220320204 1224827151 /nfs/dbraw/zinc/82/71/51/1224827151.db2.gz LWSLEMNLNXEIOJ-QUCCMNQESA-N 2 0 358.486 0.733 20 0 FCADRP CO[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001090934012 1204402890 /nfs/dbraw/zinc/40/28/90/1204402890.db2.gz IJDFFHSVDKLHQH-ZIAGYGMSSA-N 2 0 361.450 0.025 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220323246 1224829096 /nfs/dbraw/zinc/82/90/96/1224829096.db2.gz DUBCJTVGXSCTKT-QIYDDFJZSA-N 2 0 370.453 0.126 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001091039262 1204453785 /nfs/dbraw/zinc/45/37/85/1204453785.db2.gz VYFYTWSOZPEYHV-PFSRBDOWSA-N 2 0 364.494 0.850 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483054 1204524255 /nfs/dbraw/zinc/52/42/55/1204524255.db2.gz JUOXZKONYZBFNV-CABCVRRESA-N 2 0 371.526 0.193 20 0 FCADRP O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354659 1224839807 /nfs/dbraw/zinc/83/98/07/1224839807.db2.gz VSTOWZHHHZLLGT-PFRQMTDMSA-N 2 0 373.453 0.693 20 0 FCADRP C[C@@H](C(=O)NOC1CC[NH+](C)CC1)[C@H](C)C(=O)NOC1CC[NH+](C)CC1 ZINC000846650674 1204649746 /nfs/dbraw/zinc/64/97/46/1204649746.db2.gz ULFJERNAFBZJQW-OKILXGFUSA-N 2 0 370.494 0.543 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358036 1224842276 /nfs/dbraw/zinc/84/22/76/1224842276.db2.gz OKRRSECYPWCEEP-KSZLIROESA-N 2 0 374.485 0.465 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358664 1224842385 /nfs/dbraw/zinc/84/23/85/1224842385.db2.gz WBRSVJMGMSSQKY-LUKYLMHMSA-N 2 0 360.458 0.251 20 0 FCADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cc1=O ZINC001220359635 1224843812 /nfs/dbraw/zinc/84/38/12/1224843812.db2.gz ROOKDFIKJXUVKF-CVEARBPZSA-N 2 0 364.490 0.025 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666607 1204812783 /nfs/dbraw/zinc/81/27/83/1204812783.db2.gz CJMLHXAPDZVTAC-LMMKCTJWSA-N 2 0 360.506 0.931 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091677620 1204818389 /nfs/dbraw/zinc/81/83/89/1204818389.db2.gz PNWZNGJHVADBQT-UWVAXJGDSA-N 2 0 360.502 0.341 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720914 1204832335 /nfs/dbraw/zinc/83/23/35/1204832335.db2.gz GVBIQNSAALPJNN-GJYPPUQNSA-N 2 0 360.506 0.970 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720822 1204832453 /nfs/dbraw/zinc/83/24/53/1204832453.db2.gz CXZJEPDPRPGIRV-SUMDDJOVSA-N 2 0 360.506 0.970 20 0 FCADRP C[C@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+]1CCCC1 ZINC001273448832 1204848516 /nfs/dbraw/zinc/84/85/16/1204848516.db2.gz CMLITPATLGSQCR-WBVHZDCISA-N 2 0 362.518 0.872 20 0 FCADRP Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001086853497 1204852648 /nfs/dbraw/zinc/85/26/48/1204852648.db2.gz DGTDPKLXGLEMCL-DOTOQJQBSA-N 2 0 358.486 0.856 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cnn(C)c1 ZINC001086986142 1204880548 /nfs/dbraw/zinc/88/05/48/1204880548.db2.gz YMUPACDPZRENTO-HYVNUMGLSA-N 2 0 361.490 0.313 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086990461 1204883056 /nfs/dbraw/zinc/88/30/56/1204883056.db2.gz DAEJLHYCMGORLW-HYVNUMGLSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087009516 1204897277 /nfs/dbraw/zinc/89/72/77/1204897277.db2.gz KEFQEEDXIONOJM-FHLIZLRMSA-N 2 0 371.489 0.190 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087035402 1204910662 /nfs/dbraw/zinc/91/06/62/1204910662.db2.gz ZQDLZCJGYXMZBQ-BPQIPLTHSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087035288 1204911182 /nfs/dbraw/zinc/91/11/82/1204911182.db2.gz UPVSTXCYUUVDOU-IXDOHACOSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059604 1204943849 /nfs/dbraw/zinc/94/38/49/1204943849.db2.gz LZGBGNGGSSCURS-NXHRZFHOSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083381 1204971645 /nfs/dbraw/zinc/97/16/45/1204971645.db2.gz BOCSEDAKLGYRNZ-NUEKZKHPSA-N 2 0 364.494 0.551 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083923 1204972677 /nfs/dbraw/zinc/97/26/77/1204972677.db2.gz XWPPYUDEVZSZNS-KBAYOESNSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087084815 1204974108 /nfs/dbraw/zinc/97/41/08/1204974108.db2.gz UPQUHNXLZRIAFU-HYVNUMGLSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087084854 1204974309 /nfs/dbraw/zinc/97/43/09/1204974309.db2.gz VYEAFERXQAEVAQ-HYVNUMGLSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087101069 1204997189 /nfs/dbraw/zinc/99/71/89/1204997189.db2.gz RQIOEYBMBANYDO-KBAYOESNSA-N 2 0 363.506 0.633 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087096945 1205004501 /nfs/dbraw/zinc/00/45/01/1205004501.db2.gz MIAWEVPMQOTECU-HUUCEWRRSA-N 2 0 362.478 0.162 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944189 1205085835 /nfs/dbraw/zinc/08/58/35/1205085835.db2.gz VHWUYNUGTDHTAP-HLIPFELVSA-N 2 0 364.534 0.977 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CCN(c2ncnc3c2CN(C)CC3)[C@@H]1C)[NH+](C)C ZINC001091996791 1205097470 /nfs/dbraw/zinc/09/74/70/1205097470.db2.gz YPWXCMQUCXIAAY-KMFMINBZSA-N 2 0 360.506 0.888 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011505 1205112635 /nfs/dbraw/zinc/11/26/35/1205112635.db2.gz XQQVHITXYDXTMB-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220432137 1224870267 /nfs/dbraw/zinc/87/02/67/1224870267.db2.gz YSHLNUUBXJPKJI-VQIMIIECSA-N 2 0 372.469 0.874 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@H]2COCC[NH2+]2)c2cc3ccccc3[nH]2)C1 ZINC001220431469 1224870286 /nfs/dbraw/zinc/87/02/86/1224870286.db2.gz HNUGFLHGOIIWJG-GJYPPUQNSA-N 2 0 371.485 0.737 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131002 1205169276 /nfs/dbraw/zinc/16/92/76/1205169276.db2.gz MTUWYOXHEJYNNU-QKLQHJQFSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092145481 1205171131 /nfs/dbraw/zinc/17/11/31/1205171131.db2.gz OIPDUKLPALHIOK-QKLQHJQFSA-N 2 0 365.518 0.914 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198147 1205193947 /nfs/dbraw/zinc/19/39/47/1205193947.db2.gz HJFWSHJCWMNAEN-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198918 1205196178 /nfs/dbraw/zinc/19/61/78/1205196178.db2.gz BUCJUWWVDKCYIQ-FCEWJHQRSA-N 2 0 363.506 0.134 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001092275742 1205222176 /nfs/dbraw/zinc/22/21/76/1205222176.db2.gz NRXBMDPDGAQOOA-BEFAXECRSA-N 2 0 362.474 0.012 20 0 FCADRP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)nn1 ZINC001092275691 1205222312 /nfs/dbraw/zinc/22/23/12/1205222312.db2.gz KRQGZVGPLYHLRT-BEFAXECRSA-N 2 0 359.474 0.861 20 0 FCADRP COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220456355 1224879170 /nfs/dbraw/zinc/87/91/70/1224879170.db2.gz LOBGGZBACYIIFO-JTDSTZFVSA-N 2 0 361.442 0.060 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3C[NH2+]C[C@@H]3N)nc3ccc(C)cc3n12 ZINC001220458365 1224879440 /nfs/dbraw/zinc/87/94/40/1224879440.db2.gz PBFLJOACOVGZFI-KBPBESRZSA-N 2 0 367.457 0.338 20 0 FCADRP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)C1=O ZINC001092775931 1205354949 /nfs/dbraw/zinc/35/49/49/1205354949.db2.gz NSKPUOYFWGAPIQ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220478650 1224885581 /nfs/dbraw/zinc/88/55/81/1224885581.db2.gz GGNJEHWOUNRTLZ-KURKYZTESA-N 2 0 369.506 0.075 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481958 1224887451 /nfs/dbraw/zinc/88/74/51/1224887451.db2.gz XFBSYUJSZFGGNX-DODZYUBVSA-N 2 0 365.474 0.632 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)O1 ZINC001220481355 1224887519 /nfs/dbraw/zinc/88/75/19/1224887519.db2.gz DUEIYYHRKFIHQU-ZCDKGFTFSA-N 2 0 372.469 0.946 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)O1 ZINC001220481614 1224887777 /nfs/dbraw/zinc/88/77/77/1224887777.db2.gz LKHSTKSEOROSJU-LUXYFRNMSA-N 2 0 361.446 0.274 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220517674 1224900076 /nfs/dbraw/zinc/90/00/76/1224900076.db2.gz VMZKXVNWWIHUAT-SFHVURJKSA-N 2 0 358.490 0.121 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2cn(C)c3ccccc23)CC[NH2+]C1 ZINC001220522890 1224904547 /nfs/dbraw/zinc/90/45/47/1224904547.db2.gz GZPNVZSQNZPCJL-INIZCTEOSA-N 2 0 370.453 0.975 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533970 1224911283 /nfs/dbraw/zinc/91/12/83/1224911283.db2.gz VCZVSMAJUSJTOL-VQTJNVASSA-N 2 0 371.481 0.876 20 0 FCADRP COc1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193537 1206052689 /nfs/dbraw/zinc/05/26/89/1206052689.db2.gz JIRDALDDUKUBCD-VNQPRFMTSA-N 2 0 361.490 0.929 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001093225600 1206063235 /nfs/dbraw/zinc/06/32/35/1206063235.db2.gz PKHXIHPPWPHNEL-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001093225599 1206063520 /nfs/dbraw/zinc/06/35/20/1206063520.db2.gz PKHXIHPPWPHNEL-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093469245 1206085651 /nfs/dbraw/zinc/08/56/51/1206085651.db2.gz FLDRRKWYXXAZIC-HNBVOPMISA-N 2 0 367.534 0.677 20 0 FCADRP CC(C)[C@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093480462 1206090440 /nfs/dbraw/zinc/09/04/40/1206090440.db2.gz JZLZXDZQJIKOAC-LFGUQSLTSA-N 2 0 367.534 0.821 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093853826 1206133214 /nfs/dbraw/zinc/13/32/14/1206133214.db2.gz ABPDAQUCRFWVJN-HUUCEWRRSA-N 2 0 361.494 0.270 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093864121 1206136801 /nfs/dbraw/zinc/13/68/01/1206136801.db2.gz FOLNYPQEXKFTSQ-KFWWJZLASA-N 2 0 365.478 0.884 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093857290 1206145922 /nfs/dbraw/zinc/14/59/22/1206145922.db2.gz YRXGMZPJLWWVBO-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093919971 1206150219 /nfs/dbraw/zinc/15/02/19/1206150219.db2.gz PPHJAVAKXGKRIT-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093894767 1206152852 /nfs/dbraw/zinc/15/28/52/1206152852.db2.gz SMPLBBLJJCIOHN-XPKDYRNWSA-N 2 0 369.425 0.437 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093998725 1206167284 /nfs/dbraw/zinc/16/72/84/1206167284.db2.gz YJGKHGTWJRALSV-BMFZPTHFSA-N 2 0 362.474 0.870 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)n1C ZINC001094042377 1206174061 /nfs/dbraw/zinc/17/40/61/1206174061.db2.gz STFDPXZXGAEFBG-BZUAXINKSA-N 2 0 362.522 0.903 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094043958 1206174755 /nfs/dbraw/zinc/17/47/55/1206174755.db2.gz FMLVPHLPGXKYDV-RBSFLKMASA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)c1nnnn1C ZINC001094043900 1206174825 /nfs/dbraw/zinc/17/48/25/1206174825.db2.gz BRJBTELOZRYOGH-RBSFLKMASA-N 2 0 363.510 0.687 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1)[NH+](C)C ZINC001094049086 1206176321 /nfs/dbraw/zinc/17/63/21/1206176321.db2.gz FOLOLEGMLRTDOB-KFWWJZLASA-N 2 0 367.494 0.783 20 0 FCADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001094169828 1206198436 /nfs/dbraw/zinc/19/84/36/1206198436.db2.gz YAAIVCWCBDHWQV-HUUCEWRRSA-N 2 0 359.474 0.765 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094170845 1206198730 /nfs/dbraw/zinc/19/87/30/1206198730.db2.gz CZEWYPJHNJBAPU-ZIAGYGMSSA-N 2 0 357.462 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094220798 1206203025 /nfs/dbraw/zinc/20/30/25/1206203025.db2.gz WCVZQFVQGDHZMV-QLFBSQMISA-N 2 0 362.474 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094241555 1206209727 /nfs/dbraw/zinc/20/97/27/1206209727.db2.gz ODTALHFNAINGSE-GDBMZVCRSA-N 2 0 371.489 0.770 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCN(C)CC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173526784 1206280190 /nfs/dbraw/zinc/28/01/90/1206280190.db2.gz XXEYICBQLGMYOB-KDOFPFPSSA-N 2 0 372.510 0.798 20 0 FCADRP c1cn(Cc2nnn3c2C[N@@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CCC3)cn1 ZINC001173752216 1206287107 /nfs/dbraw/zinc/28/71/07/1206287107.db2.gz KQCTZYQFZWVJHU-HUUCEWRRSA-N 2 0 368.449 0.899 20 0 FCADRP CN1CCCn2nc(C(=O)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)cc2C1 ZINC001175066341 1206299145 /nfs/dbraw/zinc/29/91/45/1206299145.db2.gz WAUIRSUSFXZRHO-HNNXBMFYSA-N 2 0 371.489 0.749 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175211234 1206301624 /nfs/dbraw/zinc/30/16/24/1206301624.db2.gz LHQOSZLEYZJSGF-ZACQAIPSSA-N 2 0 358.490 0.397 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001178523366 1206358922 /nfs/dbraw/zinc/35/89/22/1206358922.db2.gz XEMLOCKEVTYZEW-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001178588927 1206359787 /nfs/dbraw/zinc/35/97/87/1206359787.db2.gz XODYQWGVEKHATD-ZDUSSCGKSA-N 2 0 371.482 0.686 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)CC1 ZINC001179012785 1206370744 /nfs/dbraw/zinc/37/07/44/1206370744.db2.gz SXUQVRNHQJJJBJ-HDICACEKSA-N 2 0 362.518 0.729 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)n3c(C)ncc(C[NH3+])c3=N)CC2)CC1 ZINC001179014913 1206371262 /nfs/dbraw/zinc/37/12/62/1206371262.db2.gz OVJACZMXOFCBEF-UHFFFAOYSA-N 2 0 374.489 0.493 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001180407438 1206395084 /nfs/dbraw/zinc/39/50/84/1206395084.db2.gz LVYQKLNLAINYHJ-ZSYWTGECSA-N 2 0 371.481 0.928 20 0 FCADRP C[C@@H](C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N)N(C)C ZINC001180864727 1206401771 /nfs/dbraw/zinc/40/17/71/1206401771.db2.gz FICZEZDCBFELRF-NSHDSACASA-N 2 0 369.429 0.867 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181588608 1206411978 /nfs/dbraw/zinc/41/19/78/1206411978.db2.gz OFLVAXHYVGKFEQ-PTCFPADLSA-N 2 0 373.494 0.071 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)CC1 ZINC001182035801 1206419208 /nfs/dbraw/zinc/41/92/08/1206419208.db2.gz FPFVZOHXYWHZNZ-UHFFFAOYSA-N 2 0 361.446 0.206 20 0 FCADRP Nc1cn(C(=O)[C@@H]2C[NH+]3CCC2CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001182008689 1206419515 /nfs/dbraw/zinc/41/95/15/1206419515.db2.gz KTFCOYLNORYSMW-MRXNPFEDSA-N 2 0 359.474 0.285 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510675 1206487608 /nfs/dbraw/zinc/48/76/08/1206487608.db2.gz HPPUKUKJACWLQB-XLAORIBOSA-N 2 0 360.502 0.482 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001185942365 1206488665 /nfs/dbraw/zinc/48/86/65/1206488665.db2.gz KHBWNRNYIAQRRT-HYVNUMGLSA-N 2 0 364.494 0.254 20 0 FCADRP COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC001186098857 1206493015 /nfs/dbraw/zinc/49/30/15/1206493015.db2.gz COQUZYKSRAIFHI-AWEZNQCLSA-N 2 0 361.446 0.267 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001186354161 1206495984 /nfs/dbraw/zinc/49/59/84/1206495984.db2.gz YMWCYEWEDZOTOO-LPHOPBHVSA-N 2 0 366.506 0.015 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220651265 1224990525 /nfs/dbraw/zinc/99/05/25/1224990525.db2.gz IJEPYFJHXZGDRZ-MOPGFXCFSA-N 2 0 371.529 0.786 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273546561 1207386019 /nfs/dbraw/zinc/38/60/19/1207386019.db2.gz ABLIPUMVWMMQSZ-LJQANCHMSA-N 2 0 368.522 0.357 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188107732 1207422937 /nfs/dbraw/zinc/42/29/37/1207422937.db2.gz XGQCXATYHCQJJC-YESZJQIVSA-N 2 0 368.497 0.725 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405931 1207454727 /nfs/dbraw/zinc/45/47/27/1207454727.db2.gz VNKGYIUPZSBGGA-YQQAZPJKSA-N 2 0 359.474 0.575 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220680745 1225008801 /nfs/dbraw/zinc/00/88/01/1225008801.db2.gz PLGPNXJTXYPDCU-UDBOQTMYSA-N 2 0 354.454 0.885 20 0 FCADRP CN(C)C(=O)[C@@H]1CN(C(=O)C[N@H+](C)C2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001273641274 1207837773 /nfs/dbraw/zinc/83/77/73/1207837773.db2.gz GXGCHUUHMXXHEW-HZPDHXFCSA-N 2 0 361.490 0.925 20 0 FCADRP CC[N@H+](C)CC(=O)NC12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001273660097 1207877383 /nfs/dbraw/zinc/87/73/83/1207877383.db2.gz QCJRPUAXRUUPFB-UHFFFAOYSA-N 2 0 362.478 0.374 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737648 1207886773 /nfs/dbraw/zinc/88/67/73/1207886773.db2.gz DNBZFSUGCMJPBV-FGTMMUONSA-N 2 0 369.506 0.218 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791726 1207889327 /nfs/dbraw/zinc/88/93/27/1207889327.db2.gz PQINDGYUNDIZOQ-GUDVDZBRSA-N 2 0 361.486 0.705 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001220706696 1225027752 /nfs/dbraw/zinc/02/77/52/1225027752.db2.gz ITVLGUBROCWPHC-SFHVURJKSA-N 2 0 356.474 0.298 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)CC[NH+]2CCCC2)C3)CC1 ZINC001273672644 1207925052 /nfs/dbraw/zinc/92/50/52/1207925052.db2.gz IHAPFRKFGOMWPW-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290372 1207935409 /nfs/dbraw/zinc/93/54/09/1207935409.db2.gz UETFFMNHQPPUAB-KZNAEPCWSA-N 2 0 362.474 0.638 20 0 FCADRP C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961433 1207984278 /nfs/dbraw/zinc/98/42/78/1207984278.db2.gz LUFHGVALMTUOQP-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997871 1207988152 /nfs/dbraw/zinc/98/81/52/1207988152.db2.gz UHAYRDXGLVKRHA-QZTJIDSGSA-N 2 0 371.522 0.465 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N(CC)C2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196129858 1208056649 /nfs/dbraw/zinc/05/66/49/1208056649.db2.gz JMHMXIACKIUADK-BRWVUGGUSA-N 2 0 368.522 0.279 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185104 1208060079 /nfs/dbraw/zinc/06/00/79/1208060079.db2.gz PHUZLLCNVPZTEL-RTBURBONSA-N 2 0 363.502 0.992 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1=O ZINC001196200124 1208065506 /nfs/dbraw/zinc/06/55/06/1208065506.db2.gz ROOKDFIKJXUVKF-HZPDHXFCSA-N 2 0 364.490 0.025 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@H+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001196268233 1208069906 /nfs/dbraw/zinc/06/99/06/1208069906.db2.gz DCYAJWADQBDRAI-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1O)[NH+](C)C ZINC001196267649 1208069968 /nfs/dbraw/zinc/06/99/68/1208069968.db2.gz GAYXCRDHFJDXHK-CEXWTWQISA-N 2 0 371.485 0.874 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CC1 ZINC001197833572 1208198526 /nfs/dbraw/zinc/19/85/26/1208198526.db2.gz JRQUJNLPDGQIHP-NXHRZFHOSA-N 2 0 362.474 0.738 20 0 FCADRP Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826013 1208201585 /nfs/dbraw/zinc/20/15/85/1208201585.db2.gz MDFXPBHRTJICEA-RTBURBONSA-N 2 0 363.502 0.667 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038863 1208215951 /nfs/dbraw/zinc/21/59/51/1208215951.db2.gz VZNPJPLSRKFYBL-GVDBMIGSSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cncn2-c2cc[nH+]cc2)CC1 ZINC001198557165 1208269533 /nfs/dbraw/zinc/26/95/33/1208269533.db2.gz OSIFQFJDGRNEBC-SHTZXODSSA-N 2 0 370.457 0.986 20 0 FCADRP Cc1ccccc1OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198662383 1208280937 /nfs/dbraw/zinc/28/09/37/1208280937.db2.gz NCPNMRWGCMTUMT-KZNAEPCWSA-N 2 0 361.486 0.877 20 0 FCADRP CC[NH+](CC)CC(=O)N1Cc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273788688 1208372094 /nfs/dbraw/zinc/37/20/94/1208372094.db2.gz LIHLATJJHKREJL-UHFFFAOYSA-N 2 0 362.478 0.418 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001691701371 1208418462 /nfs/dbraw/zinc/41/84/62/1208418462.db2.gz PKESHLBOQBPANW-RCCFBDPRSA-N 2 0 363.506 0.559 20 0 FCADRP Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768447 1225063284 /nfs/dbraw/zinc/06/32/84/1225063284.db2.gz MDFXPBHRTJICEA-MOPGFXCFSA-N 2 0 363.502 0.667 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001691704259 1208428752 /nfs/dbraw/zinc/42/87/52/1208428752.db2.gz PJOBCULDBJYZNZ-ZWKOTPCHSA-N 2 0 363.506 0.682 20 0 FCADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001201119062 1208446156 /nfs/dbraw/zinc/44/61/56/1208446156.db2.gz ZXILWXHFJXWKDY-HUUCEWRRSA-N 2 0 363.462 0.247 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229426 1208449220 /nfs/dbraw/zinc/44/92/20/1208449220.db2.gz BUZFXUBEOPXAKT-KBAYOESNSA-N 2 0 371.522 0.320 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)[C@@H](c2ccccc2)C1 ZINC001201454420 1208456048 /nfs/dbraw/zinc/45/60/48/1208456048.db2.gz NWLZGYYBMSHWPQ-QRVBRYPASA-N 2 0 361.486 0.531 20 0 FCADRP C[C@@H](C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001488827172 1208551478 /nfs/dbraw/zinc/55/14/78/1208551478.db2.gz AMFQHMDKDCEINK-XFIYOXNOSA-N 2 0 359.536 0.492 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)c1nnnn1C ZINC001489056387 1208615983 /nfs/dbraw/zinc/61/59/83/1208615983.db2.gz UYEPIYLWVTUFAZ-ILXRZTDVSA-N 2 0 351.499 0.830 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489381265 1208803264 /nfs/dbraw/zinc/80/32/64/1208803264.db2.gz AAUVWMAELBCZDO-IXDOHACOSA-N 2 0 368.522 0.279 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2CC[NH+](Cc3ccncc3)CC2)C[NH2+]C1 ZINC001220825396 1225090196 /nfs/dbraw/zinc/09/01/96/1225090196.db2.gz GEIVWZQRQVZELN-UHFFFAOYSA-N 2 0 358.442 0.830 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H](NCc2ccccc2)C(C)(C)[NH3+])C[NH2+]C1 ZINC001220826838 1225092216 /nfs/dbraw/zinc/09/22/16/1225092216.db2.gz ARFJIZWZLVQVLY-MRXNPFEDSA-N 2 0 360.458 0.419 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1OC ZINC001489535231 1208896625 /nfs/dbraw/zinc/89/66/25/1208896625.db2.gz MLMUBXMKOXUDLM-KLHDSHLOSA-N 2 0 354.495 0.010 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220850918 1225106247 /nfs/dbraw/zinc/10/62/47/1225106247.db2.gz AHTWOLDFZXECBZ-OAHLLOKOSA-N 2 0 359.426 0.358 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220851351 1225108008 /nfs/dbraw/zinc/10/80/08/1225108008.db2.gz SESISFSWHKMWDM-HNNXBMFYSA-N 2 0 359.426 0.090 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220851352 1225108358 /nfs/dbraw/zinc/10/83/58/1225108358.db2.gz SESISFSWHKMWDM-OAHLLOKOSA-N 2 0 359.426 0.090 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001489672101 1209082165 /nfs/dbraw/zinc/08/21/65/1209082165.db2.gz GUWQZHJHWLWGEF-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000850595844 1209460436 /nfs/dbraw/zinc/46/04/36/1209460436.db2.gz GOVSBYQOKWPFCP-OAHLLOKOSA-N 2 0 361.490 0.833 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000850833709 1209491636 /nfs/dbraw/zinc/49/16/36/1209491636.db2.gz WRXDIAHDUFUOME-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000852739628 1209561762 /nfs/dbraw/zinc/56/17/62/1209561762.db2.gz CNKSIGQLXHTISZ-YRPNKDGESA-N 2 0 368.566 0.294 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748867 1209562503 /nfs/dbraw/zinc/56/25/03/1209562503.db2.gz FKQFPUSDTGANKE-DOTOQJQBSA-N 2 0 366.506 0.997 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)nn1 ZINC000852796080 1209564437 /nfs/dbraw/zinc/56/44/37/1209564437.db2.gz NDBPEZCAIDPWJF-GFCCVEGCSA-N 2 0 358.402 0.398 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c2ccncn2)CC1 ZINC001220940858 1225149950 /nfs/dbraw/zinc/14/99/50/1225149950.db2.gz IONCYHRKWVJDBM-JYJNAYRXSA-N 3 0 358.490 0.954 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000861730045 1209877740 /nfs/dbraw/zinc/87/77/40/1209877740.db2.gz JZNOOVBGKJNHNN-OCCSQVGLSA-N 2 0 366.462 0.228 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220974635 1225169237 /nfs/dbraw/zinc/16/92/37/1225169237.db2.gz FUNPKTSHKZMIES-UZLBHIALSA-N 2 0 360.477 0.806 20 0 FCADRP [NH3+]CCNC(=O)/C=C/C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220975390 1225169666 /nfs/dbraw/zinc/16/96/66/1225169666.db2.gz VGNNZQBHNOYWGB-AATRIKPKSA-N 2 0 362.449 0.485 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863550921 1209945285 /nfs/dbraw/zinc/94/52/85/1209945285.db2.gz FLVZXAQRRBUPAR-KRWDZBQOSA-N 2 0 370.538 0.976 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000868250669 1210047300 /nfs/dbraw/zinc/04/73/00/1210047300.db2.gz HCYMCLKUFKIUIF-CYBMUJFWSA-N 2 0 365.453 0.760 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000868280247 1210049281 /nfs/dbraw/zinc/04/92/81/1210049281.db2.gz YLHLGHLVKOFSSN-RDJZCZTQSA-N 2 0 357.458 0.340 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000868286513 1210049715 /nfs/dbraw/zinc/04/97/15/1210049715.db2.gz OHTUSDCUKXXWAF-CABCVRRESA-N 2 0 359.474 0.715 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H]1C[NH+](C)C ZINC000870018199 1210099605 /nfs/dbraw/zinc/09/96/05/1210099605.db2.gz WOEBZKLPHYWXMM-UYTYNIKBSA-N 2 0 364.534 0.879 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030195 1225192334 /nfs/dbraw/zinc/19/23/34/1225192334.db2.gz BJVWIJPZRVQXCU-CVEARBPZSA-N 2 0 365.453 0.758 20 0 FCADRP O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221030654 1225192790 /nfs/dbraw/zinc/19/27/90/1225192790.db2.gz HHBYPCTVTZRSDT-SJORKVTESA-N 2 0 362.449 0.313 20 0 FCADRP [NH3+]CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])c1ccc(F)cc1 ZINC001221060689 1225204036 /nfs/dbraw/zinc/20/40/36/1225204036.db2.gz KKEUBBJDYQKGQF-KRWDZBQOSA-N 2 0 358.417 0.804 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C[C@H]2[NH3+])cc1 ZINC000877240142 1210440737 /nfs/dbraw/zinc/44/07/37/1210440737.db2.gz YYPPWROPTBFNDC-BHYGNILZSA-N 2 0 370.457 0.778 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)ccn2)CC1 ZINC000877331135 1210443111 /nfs/dbraw/zinc/44/31/11/1210443111.db2.gz LDLYDEFYYYPUAY-KRWDZBQOSA-N 2 0 373.501 0.722 20 0 FCADRP Cc1c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)nnn1C1CC[NH2+]CC1 ZINC000877347698 1210444319 /nfs/dbraw/zinc/44/43/19/1210444319.db2.gz OKMCGKXHLQQALZ-MRXNPFEDSA-N 2 0 354.458 0.955 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C(=O)OC)n1 ZINC000878589727 1210462571 /nfs/dbraw/zinc/46/25/71/1210462571.db2.gz UEFMSTJTWGGXHP-OAHLLOKOSA-N 2 0 365.478 0.544 20 0 FCADRP O=C(C[NH+]1CC[C@@H](CF)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880292765 1210526964 /nfs/dbraw/zinc/52/69/64/1210526964.db2.gz VKLXNZNORZJIIO-HOTGVXAUSA-N 2 0 372.460 0.240 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000883308096 1210661966 /nfs/dbraw/zinc/66/19/66/1210661966.db2.gz HZRRAWBCKJWTMK-QGZVFWFLSA-N 2 0 361.490 0.871 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000883416429 1210665546 /nfs/dbraw/zinc/66/55/46/1210665546.db2.gz UWRIPIRCKDSZDH-HNNXBMFYSA-N 2 0 363.506 0.739 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439160 1210667061 /nfs/dbraw/zinc/66/70/61/1210667061.db2.gz KGSQIGCGBAFMNY-VVLHAWIVSA-N 2 0 365.474 0.829 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883604461 1210673472 /nfs/dbraw/zinc/67/34/72/1210673472.db2.gz XLWSANGVVABKQY-GOSISDBHSA-N 2 0 371.485 0.859 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883604903 1210673521 /nfs/dbraw/zinc/67/35/21/1210673521.db2.gz HHUCTWLGWKAENX-MAUKXSAKSA-N 2 0 371.485 0.730 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883605525 1210673739 /nfs/dbraw/zinc/67/37/39/1210673739.db2.gz WOHKAKHDUAHFAD-CRAIPNDOSA-N 2 0 371.485 0.717 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883606522 1210673787 /nfs/dbraw/zinc/67/37/87/1210673787.db2.gz UTFSURCHROZAFL-KRWDZBQOSA-N 2 0 359.474 0.717 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611487 1210675026 /nfs/dbraw/zinc/67/50/26/1210675026.db2.gz ZNBPAELXTBBXBF-RHSMWYFYSA-N 2 0 359.474 0.634 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883641914 1210678107 /nfs/dbraw/zinc/67/81/07/1210678107.db2.gz ZHBPASLKALKFAZ-SPYBWZPUSA-N 2 0 357.458 0.459 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCN1c1cc[nH+]cc1 ZINC000883642169 1210678210 /nfs/dbraw/zinc/67/82/10/1210678210.db2.gz FYKRLEGBUSFPBW-PVAVHDDUSA-N 2 0 357.458 0.472 20 0 FCADRP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221127920 1225232079 /nfs/dbraw/zinc/23/20/79/1225232079.db2.gz IIGCQYUIMNVTPY-MRXNPFEDSA-N 2 0 362.518 0.778 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000883659809 1210682752 /nfs/dbraw/zinc/68/27/52/1210682752.db2.gz UCRRSQZXOMWSEG-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221127916 1225232123 /nfs/dbraw/zinc/23/21/23/1225232123.db2.gz IIGCQYUIMNVTPY-INIZCTEOSA-N 2 0 362.518 0.778 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884205781 1210722550 /nfs/dbraw/zinc/72/25/50/1210722550.db2.gz FZZJPQCUXKKUDS-IRXDYDNUSA-N 2 0 360.506 0.938 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000884207817 1210723175 /nfs/dbraw/zinc/72/31/75/1210723175.db2.gz HCADIEKORZEZEY-INIZCTEOSA-N 2 0 362.474 0.602 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)cc2C1 ZINC000884243982 1210725596 /nfs/dbraw/zinc/72/55/96/1210725596.db2.gz ULIOXDUOZIQWPI-OAHLLOKOSA-N 2 0 352.442 0.955 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884235588 1210725764 /nfs/dbraw/zinc/72/57/64/1210725764.db2.gz ZANOGYQRZIYUHO-QGZVFWFLSA-N 2 0 374.533 0.495 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000884341475 1210731432 /nfs/dbraw/zinc/73/14/32/1210731432.db2.gz YNGRMLWQDIEREI-INIZCTEOSA-N 2 0 358.446 0.812 20 0 FCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884422986 1210734626 /nfs/dbraw/zinc/73/46/26/1210734626.db2.gz KIUZYAJPNXFSEG-HUUCEWRRSA-N 2 0 360.506 0.771 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884504044 1210740535 /nfs/dbraw/zinc/74/05/35/1210740535.db2.gz ZQAPDVXKZLASPF-NZSAHSFTSA-N 2 0 372.513 0.720 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884513968 1210742225 /nfs/dbraw/zinc/74/22/25/1210742225.db2.gz WLHQQWWFFDPLDS-KURKYZTESA-N 2 0 356.470 0.730 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884517422 1210742614 /nfs/dbraw/zinc/74/26/14/1210742614.db2.gz MVFATKCKUIHTLU-ZWKOTPCHSA-N 2 0 371.485 0.515 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000884516445 1210742733 /nfs/dbraw/zinc/74/27/33/1210742733.db2.gz KXRNQHGVCZKSRQ-BFYDXBDKSA-N 2 0 366.506 0.380 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000884517801 1210742824 /nfs/dbraw/zinc/74/28/24/1210742824.db2.gz WUYKDHUISPEXBC-KRWDZBQOSA-N 2 0 359.474 0.502 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572258 1210754119 /nfs/dbraw/zinc/75/41/19/1210754119.db2.gz JOOJOUISWVLCSW-RANZSIQMSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884604949 1210760566 /nfs/dbraw/zinc/76/05/66/1210760566.db2.gz RXVFIAXLAZBIFM-BVBHFADKSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000884618617 1210763505 /nfs/dbraw/zinc/76/35/05/1210763505.db2.gz JBROXLCXTXVGHK-PBHICJAKSA-N 2 0 374.485 0.208 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000884623941 1210764711 /nfs/dbraw/zinc/76/47/11/1210764711.db2.gz SLRGSOHNYDVEFL-QAPCUYQASA-N 2 0 358.486 0.829 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884626960 1210765373 /nfs/dbraw/zinc/76/53/73/1210765373.db2.gz AASKFUNEXGHWIM-AWEZNQCLSA-N 2 0 356.470 0.549 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000884626795 1210765403 /nfs/dbraw/zinc/76/54/03/1210765403.db2.gz VINWIHDHHYCHRD-FGTMMUONSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884627367 1210765522 /nfs/dbraw/zinc/76/55/22/1210765522.db2.gz NDCDJJJBASUQHV-PBHICJAKSA-N 2 0 356.470 0.418 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884664086 1210774120 /nfs/dbraw/zinc/77/41/20/1210774120.db2.gz CMZSPBGWBBTOGH-HXUWFJFHSA-N 2 0 362.518 0.969 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000884656886 1210774485 /nfs/dbraw/zinc/77/44/85/1210774485.db2.gz YXWXVNRITAPDDO-UHFFFAOYSA-N 2 0 368.522 0.722 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000884669960 1210775952 /nfs/dbraw/zinc/77/59/52/1210775952.db2.gz LKIFZGHFRFYDMC-HZPDHXFCSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675879 1210777189 /nfs/dbraw/zinc/77/71/89/1210777189.db2.gz TZFMYQNKYXNNKW-WBVHZDCISA-N 2 0 358.486 0.739 20 0 FCADRP O=C(NCCN(Cc1ccccc1)c1ccccn1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884678156 1210778644 /nfs/dbraw/zinc/77/86/44/1210778644.db2.gz QBDVMVZRXNVTHP-QGZVFWFLSA-N 2 0 367.453 0.683 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000884683796 1210780007 /nfs/dbraw/zinc/78/00/07/1210780007.db2.gz NWWQGCIZKRYGJX-PMPSAXMXSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690178 1210781208 /nfs/dbraw/zinc/78/12/08/1210781208.db2.gz OZXQDMKUDKCVEQ-WBVHZDCISA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884704947 1210783183 /nfs/dbraw/zinc/78/31/83/1210783183.db2.gz ZOIIWWSYIKPGQU-RYQLBKOJSA-N 2 0 358.486 0.820 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000884703779 1210783435 /nfs/dbraw/zinc/78/34/35/1210783435.db2.gz KIERZVMYBUKFBF-WBVHZDCISA-N 2 0 362.474 0.166 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000884706106 1210784825 /nfs/dbraw/zinc/78/48/25/1210784825.db2.gz RXSGIONRZCLRJO-GOEBONIOSA-N 2 0 368.522 0.842 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715614 1210786132 /nfs/dbraw/zinc/78/61/32/1210786132.db2.gz YUBDAQVFMSEUCE-RDJZCZTQSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000884723531 1210789914 /nfs/dbraw/zinc/78/99/14/1210789914.db2.gz PBTSPYMRMGLAIH-OAHLLOKOSA-N 2 0 357.458 0.545 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884727133 1210790754 /nfs/dbraw/zinc/79/07/54/1210790754.db2.gz MMDDFWZVFBBMEI-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884741338 1210792376 /nfs/dbraw/zinc/79/23/76/1210792376.db2.gz MZFDUWAOBVVVRO-MRXNPFEDSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832836 1210800063 /nfs/dbraw/zinc/80/00/63/1210800063.db2.gz AWKYQRYPKNKFKL-NUJGCVRESA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000884834286 1210800350 /nfs/dbraw/zinc/80/03/50/1210800350.db2.gz USZXQAIZLQYAMV-RWQQGDIJSA-N 2 0 372.513 0.924 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835500 1210800380 /nfs/dbraw/zinc/80/03/80/1210800380.db2.gz STOZATQGVJSHLZ-WBVHZDCISA-N 2 0 358.486 0.820 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000884875768 1210802232 /nfs/dbraw/zinc/80/22/32/1210802232.db2.gz LKZPCUKLSDFKMU-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH2+]C1 ZINC000884875523 1210802240 /nfs/dbraw/zinc/80/22/40/1210802240.db2.gz DPSAZVOZCTUSIN-HNNXBMFYSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884882165 1210802431 /nfs/dbraw/zinc/80/24/31/1210802431.db2.gz UVPSKGDDVWJYBP-HNNXBMFYSA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000884975545 1210806646 /nfs/dbraw/zinc/80/66/46/1210806646.db2.gz DEQKNDGIGZUZCZ-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982603 1210806650 /nfs/dbraw/zinc/80/66/50/1210806650.db2.gz GHRXAHGMBDYSHF-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000885007504 1210807640 /nfs/dbraw/zinc/80/76/40/1210807640.db2.gz BLEUEEXCZDKKBN-MUJYYYPQSA-N 2 0 357.458 0.377 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885152756 1210813160 /nfs/dbraw/zinc/81/31/60/1210813160.db2.gz VXVZXUNGSYAGCH-KZNAEPCWSA-N 2 0 356.470 0.370 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157724 1210813313 /nfs/dbraw/zinc/81/33/13/1210813313.db2.gz QUHBTMDIRPHATR-APWZRJJASA-N 2 0 372.513 0.911 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157730 1210813405 /nfs/dbraw/zinc/81/34/05/1210813405.db2.gz QUHBTMDIRPHATR-QFBILLFUSA-N 2 0 372.513 0.911 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000885167995 1210814546 /nfs/dbraw/zinc/81/45/46/1210814546.db2.gz RZURUCXOPVBAQO-RTBURBONSA-N 2 0 370.497 0.904 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000885204464 1210815445 /nfs/dbraw/zinc/81/54/45/1210815445.db2.gz NALYOODKCBALKK-CALCHBBNSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885290931 1210817571 /nfs/dbraw/zinc/81/75/71/1210817571.db2.gz JOTKGBDCKBBGNB-OAHLLOKOSA-N 2 0 374.476 0.928 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000887039498 1210843395 /nfs/dbraw/zinc/84/33/95/1210843395.db2.gz LXDLJOHAKJJYQL-SFHVURJKSA-N 2 0 362.478 0.375 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064214 1210844439 /nfs/dbraw/zinc/84/44/39/1210844439.db2.gz BYENDSFNPYSWNQ-GDAAHCPNSA-N 2 0 370.497 0.915 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064843 1210844550 /nfs/dbraw/zinc/84/45/50/1210844550.db2.gz QCQFJMYWDWWVKS-RYQLBKOJSA-N 2 0 358.486 0.773 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000887091751 1210847027 /nfs/dbraw/zinc/84/70/27/1210847027.db2.gz VGWRSLXPKPIBRQ-HNAYVOBHSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000887091750 1210847105 /nfs/dbraw/zinc/84/71/05/1210847105.db2.gz VGWRSLXPKPIBRQ-DNVCBOLYSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000887091217 1210847114 /nfs/dbraw/zinc/84/71/14/1210847114.db2.gz DLBQLKZVDVVHHY-JKSUJKDBSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000887091773 1210847395 /nfs/dbraw/zinc/84/73/95/1210847395.db2.gz VVSNDTFWBPSLCJ-SPYBWZPUSA-N 2 0 357.458 0.459 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000890283995 1210854014 /nfs/dbraw/zinc/85/40/14/1210854014.db2.gz RYRJAVRFKWZKHA-MAUKXSAKSA-N 2 0 373.501 0.976 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090877 1210878758 /nfs/dbraw/zinc/87/87/58/1210878758.db2.gz LPHBOVDBNQCMGW-IAGOWNOFSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134910 1210968163 /nfs/dbraw/zinc/96/81/63/1210968163.db2.gz VQFUVRKMEDSTJC-GOSISDBHSA-N 2 0 365.522 0.344 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397815 1211044184 /nfs/dbraw/zinc/04/41/84/1211044184.db2.gz TVTVZBZYTBBPSM-KSZLIROESA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397059 1211044231 /nfs/dbraw/zinc/04/42/31/1211044231.db2.gz MQYRGYBELHXPNU-AZUAARDMSA-N 2 0 366.550 0.972 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397062 1211044356 /nfs/dbraw/zinc/04/43/56/1211044356.db2.gz MQYRGYBELHXPNU-UYAOXDASSA-N 2 0 366.550 0.972 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2CC1 ZINC001274419194 1211049914 /nfs/dbraw/zinc/04/99/14/1211049914.db2.gz QZSYSIQRQOTBIJ-FGTMMUONSA-N 2 0 362.518 0.587 20 0 FCADRP CN1CC[NH+](CCCC(=O)N2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001274515408 1211071689 /nfs/dbraw/zinc/07/16/89/1211071689.db2.gz PNDVGSJRIRWSLC-KDURUIRLSA-N 2 0 364.534 0.868 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1 ZINC001221187968 1225260190 /nfs/dbraw/zinc/26/01/90/1225260190.db2.gz LQOXCOLEOUWOLX-BBWFWOEESA-N 2 0 363.458 0.721 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001221188558 1225260839 /nfs/dbraw/zinc/26/08/39/1225260839.db2.gz XMXDQHXHDKXIGJ-IRXDYDNUSA-N 2 0 362.474 0.247 20 0 FCADRP CCC[C@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275081424 1211174069 /nfs/dbraw/zinc/17/40/69/1211174069.db2.gz GQLFASYWIBHKQR-SFHVURJKSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143003 1211179307 /nfs/dbraw/zinc/17/93/07/1211179307.db2.gz QLKNPXQSKTYUNN-AZUAARDMSA-N 2 0 364.534 0.585 20 0 FCADRP O=C1CC[C@H](C[N@@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3=O)CC2)N1 ZINC001275149222 1211181444 /nfs/dbraw/zinc/18/14/44/1211181444.db2.gz VCVSIEQDTWBWJH-APWZRJJASA-N 2 0 359.474 0.866 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2)[NH+](C)C ZINC001275219419 1211198516 /nfs/dbraw/zinc/19/85/16/1211198516.db2.gz HYTXINZWAGMRTR-DLBZAZTESA-N 2 0 362.518 0.728 20 0 FCADRP COc1cccnc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275380237 1211226544 /nfs/dbraw/zinc/22/65/44/1211226544.db2.gz PELCFUPEDYIOPV-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnccc3N)C2)C1=O ZINC001275444426 1211239046 /nfs/dbraw/zinc/23/90/46/1211239046.db2.gz XVCMFURQODMWFN-GOSISDBHSA-N 2 0 362.430 0.456 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccn4ccnc4c3)C2)OCC1=O ZINC001275456801 1211243274 /nfs/dbraw/zinc/24/32/74/1211243274.db2.gz KXEZVJODJQVAGE-LJQANCHMSA-N 2 0 357.458 0.699 20 0 FCADRP COc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275500837 1211251425 /nfs/dbraw/zinc/25/14/25/1211251425.db2.gz SIEIDWQTQMGVAW-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(CCN(C[C@H]4CCC(=O)N4)C3=O)CC2)CC1 ZINC001275556715 1211256619 /nfs/dbraw/zinc/25/66/19/1211256619.db2.gz OPMKOYGMUPYPCL-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001275590143 1211261515 /nfs/dbraw/zinc/26/15/15/1211261515.db2.gz RYWBIGSAJUFSIH-LJQANCHMSA-N 2 0 361.490 0.513 20 0 FCADRP COc1cc(O)ccc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275704668 1211273701 /nfs/dbraw/zinc/27/37/01/1211273701.db2.gz VDMNLDFJQDGCRF-IBGZPJMESA-N 2 0 363.458 0.766 20 0 FCADRP O=C1COCC2(C[NH+](CC3CC[NH2+]CC3)C2)N1CCc1ccc(O)cc1 ZINC001275736882 1211278848 /nfs/dbraw/zinc/27/88/48/1211278848.db2.gz IAEUAUQNYREMOO-UHFFFAOYSA-N 2 0 359.470 0.848 20 0 FCADRP CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737395 1211278923 /nfs/dbraw/zinc/27/89/23/1211278923.db2.gz KGPQEUYVKFTWNW-IBGZPJMESA-N 2 0 366.506 0.015 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789660 1211283903 /nfs/dbraw/zinc/28/39/03/1211283903.db2.gz JAQMXZFMBQKAKH-HXUWFJFHSA-N 2 0 364.534 0.727 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250681 1225280639 /nfs/dbraw/zinc/28/06/39/1225280639.db2.gz UVLHNRRMPCGSKP-FXAWDEMLSA-N 2 0 358.486 0.711 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371304405 1211335456 /nfs/dbraw/zinc/33/54/56/1211335456.db2.gz SZDGAGWQIYGIIH-OKZBNKHCSA-N 2 0 367.538 0.375 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccnnc3)C2)C1=O ZINC001276039582 1211336441 /nfs/dbraw/zinc/33/64/41/1211336441.db2.gz BVVCPUDVWNIMNI-SFHVURJKSA-N 2 0 354.414 0.751 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001276055998 1211342119 /nfs/dbraw/zinc/34/21/19/1211342119.db2.gz BKBKHICXUDEUQM-UOSKARGWSA-N 2 0 362.518 0.870 20 0 FCADRP CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001276181372 1211374893 /nfs/dbraw/zinc/37/48/93/1211374893.db2.gz WKAJEPFIEXGDBX-IBGZPJMESA-N 2 0 363.506 0.885 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001095685526 1211446997 /nfs/dbraw/zinc/44/69/97/1211446997.db2.gz KTABDWUEEXUSMD-BDXSIMOUSA-N 2 0 373.501 0.594 20 0 FCADRP CC(C)[C@@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCN(C)CC1 ZINC000924457076 1211470296 /nfs/dbraw/zinc/47/02/96/1211470296.db2.gz PIBISLPDWDWJGH-DLBZAZTESA-N 2 0 365.522 0.665 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O ZINC000925276642 1211494480 /nfs/dbraw/zinc/49/44/80/1211494480.db2.gz PQUVXYCDMITQII-KRWDZBQOSA-N 2 0 359.474 0.416 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000925494660 1211501643 /nfs/dbraw/zinc/50/16/43/1211501643.db2.gz LNFSJFASDSJMEI-HZPDHXFCSA-N 2 0 359.474 0.529 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926368897 1211540839 /nfs/dbraw/zinc/54/08/39/1211540839.db2.gz YCMYERRFLSYHBD-LISAXSMJSA-N 2 0 360.502 0.530 20 0 FCADRP Cc1ccc(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000927218383 1211567665 /nfs/dbraw/zinc/56/76/65/1211567665.db2.gz ZYYWEEVULXEPBK-HNNXBMFYSA-N 2 0 361.446 0.872 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000927648398 1211579085 /nfs/dbraw/zinc/57/90/85/1211579085.db2.gz KCFZSQRKENTOCL-KSZLIROESA-N 2 0 366.506 0.480 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000927883250 1211590093 /nfs/dbraw/zinc/59/00/93/1211590093.db2.gz OYDNNJTYHTUKOY-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000930973442 1211732571 /nfs/dbraw/zinc/73/25/71/1211732571.db2.gz WIOHORQQYOFZDO-KRWDZBQOSA-N 2 0 359.474 0.230 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000931021318 1211735314 /nfs/dbraw/zinc/73/53/14/1211735314.db2.gz HCCOUGNQMPQRCM-MRXNPFEDSA-N 2 0 366.506 0.204 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000931021316 1211735531 /nfs/dbraw/zinc/73/55/31/1211735531.db2.gz HCCOUGNQMPQRCM-INIZCTEOSA-N 2 0 366.506 0.204 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931485336 1211757658 /nfs/dbraw/zinc/75/76/58/1211757658.db2.gz FAQLDZLMUHIVHU-HNNXBMFYSA-N 2 0 370.494 0.064 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931610321 1211763459 /nfs/dbraw/zinc/76/34/59/1211763459.db2.gz NZQSOERFUSUXAY-WBVHZDCISA-N 2 0 359.474 0.849 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cncc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC000931658232 1211768986 /nfs/dbraw/zinc/76/89/86/1211768986.db2.gz YJPVJZBDGWICFJ-GJZGRUSLSA-N 2 0 359.474 0.310 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1ccccn1)C1CC1 ZINC000931919931 1211783579 /nfs/dbraw/zinc/78/35/79/1211783579.db2.gz NECXMHARMNNQEK-KRWDZBQOSA-N 2 0 361.490 0.601 20 0 FCADRP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935365658 1211876757 /nfs/dbraw/zinc/87/67/57/1211876757.db2.gz KBTIIRJHLLPJGO-GVDBMIGSSA-N 2 0 368.522 0.325 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001111161718 1211906850 /nfs/dbraw/zinc/90/68/50/1211906850.db2.gz YNYDDVRSJWADCS-KFWWJZLASA-N 2 0 367.494 0.415 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000968631483 1212056130 /nfs/dbraw/zinc/05/61/30/1212056130.db2.gz GFQBUEPALULXPZ-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000947968824 1212105940 /nfs/dbraw/zinc/10/59/40/1212105940.db2.gz PHOSOEYJWRCBJJ-UNEWFSDZSA-N 2 0 359.474 0.819 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001111297599 1212479740 /nfs/dbraw/zinc/47/97/40/1212479740.db2.gz LOJYNOBZQJMLLL-TVFCKZIOSA-N 2 0 363.506 0.697 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001007692183 1212554957 /nfs/dbraw/zinc/55/49/57/1212554957.db2.gz JPRBAKVRBKWVPO-ZWOKBUDYSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001008358744 1212684476 /nfs/dbraw/zinc/68/44/76/1212684476.db2.gz XVKOCSZSRGMLCP-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001095921349 1212755328 /nfs/dbraw/zinc/75/53/28/1212755328.db2.gz PNNMXEZJUXDKFH-KSWRQPAISA-N 2 0 363.506 0.463 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000951357179 1212817529 /nfs/dbraw/zinc/81/75/29/1212817529.db2.gz GWFLYUQROHAUSJ-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000951420809 1212825738 /nfs/dbraw/zinc/82/57/38/1212825738.db2.gz AJUVDPBHGPVOSB-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001009278507 1212830579 /nfs/dbraw/zinc/83/05/79/1212830579.db2.gz ARFLDDFEXACQCX-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824106 1225417030 /nfs/dbraw/zinc/41/70/30/1225417030.db2.gz LQRGBHFUVVUJJY-AZUAARDMSA-N 2 0 366.550 0.708 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCc4nccn43)C2)CC[N@@H+]1C ZINC000954510760 1213080582 /nfs/dbraw/zinc/08/05/82/1213080582.db2.gz DNECUEZLCCUVDB-FVQBIDKESA-N 2 0 359.474 0.770 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000954812339 1213111901 /nfs/dbraw/zinc/11/19/01/1213111901.db2.gz NYNZYNLWDRCDPO-ZTFGCOKTSA-N 2 0 362.518 0.870 20 0 FCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796615 1213216260 /nfs/dbraw/zinc/21/62/60/1213216260.db2.gz DNJJAUOPXMSDSF-IRXDYDNUSA-N 2 0 365.522 0.319 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000641806043 1213216270 /nfs/dbraw/zinc/21/62/70/1213216270.db2.gz BCSWVIXHGOAVSF-SQNIBIBYSA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957083254 1213247828 /nfs/dbraw/zinc/24/78/28/1213247828.db2.gz RHIRIHURQGMDJJ-ZACQAIPSSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000957366893 1213295367 /nfs/dbraw/zinc/29/53/67/1213295367.db2.gz HXIIFJKAQPZVHN-UKPHBRMFSA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC000958166371 1213386315 /nfs/dbraw/zinc/38/63/15/1213386315.db2.gz ISDJBGLGTPIUOO-ZACQAIPSSA-N 2 0 366.506 0.012 20 0 FCADRP Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)c(C)n1 ZINC000960521831 1213800920 /nfs/dbraw/zinc/80/09/20/1213800920.db2.gz ACUSUSYZAPDNHK-SFKBXODTSA-N 2 0 358.486 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC001011177948 1213838008 /nfs/dbraw/zinc/83/80/08/1213838008.db2.gz FQABYARKWHWTCB-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CCC[NH+]2C)C3)CC[N@@H+]1C ZINC001013979415 1213913845 /nfs/dbraw/zinc/91/38/45/1213913845.db2.gz GRWHDUOHFMXAFZ-DDFPFOKPSA-N 2 0 362.518 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001016577656 1214019178 /nfs/dbraw/zinc/01/91/78/1214019178.db2.gz IRLKYMRZVSELAY-SJJHQCBESA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825631 1225505008 /nfs/dbraw/zinc/50/50/08/1225505008.db2.gz WIXQYOUETYDHCO-AZUAARDMSA-N 2 0 366.550 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)CC[NH+]1C ZINC001019071605 1214192147 /nfs/dbraw/zinc/19/21/47/1214192147.db2.gz RIMWZAWEMIBELQ-QBPKDAKJSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001019207867 1214217412 /nfs/dbraw/zinc/21/74/12/1214217412.db2.gz XRYMVQDGRHLXQV-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001020175526 1214316170 /nfs/dbraw/zinc/31/61/70/1214316170.db2.gz UJUCWCNDYFHSPR-OVYGPGRDSA-N 2 0 366.506 0.201 20 0 FCADRP CC(C)c1nnc(CNCC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)o1 ZINC000961987704 1214393137 /nfs/dbraw/zinc/39/31/37/1214393137.db2.gz CIYVSLAWXFBOGW-XSCHDIRWSA-N 2 0 365.478 0.897 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040182891 1214472765 /nfs/dbraw/zinc/47/27/65/1214472765.db2.gz WFPUEJFMQPCOEJ-SPYBWZPUSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040720027 1214573117 /nfs/dbraw/zinc/57/31/17/1214573117.db2.gz ZWGXHPROZMSCIV-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP COc1cc(CN2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)ccn1 ZINC001221946749 1225546457 /nfs/dbraw/zinc/54/64/57/1225546457.db2.gz AJNBWSXBVHGOTO-IAGOWNOFSA-N 2 0 362.474 0.701 20 0 FCADRP COc1ccnc(CN2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221947059 1225546962 /nfs/dbraw/zinc/54/69/62/1225546962.db2.gz PRBZKCFTXZRVKV-CRAIPNDOSA-N 2 0 362.474 0.701 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221958206 1225553159 /nfs/dbraw/zinc/55/31/59/1225553159.db2.gz KUTHSOXJIBRPIX-HZPDHXFCSA-N 2 0 364.490 0.400 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221958259 1225553326 /nfs/dbraw/zinc/55/33/26/1225553326.db2.gz MTJGFLUHLOKYOY-KZNAEPCWSA-N 2 0 363.506 0.509 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962593 1225554290 /nfs/dbraw/zinc/55/42/90/1225554290.db2.gz LVIMOFOVDKZSPJ-QZTJIDSGSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221969098 1225556629 /nfs/dbraw/zinc/55/66/29/1225556629.db2.gz QEULQKKTGZVCNE-KZNAEPCWSA-N 2 0 371.522 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC000963823429 1214859055 /nfs/dbraw/zinc/85/90/55/1214859055.db2.gz KBOKWTMBMMVHKM-FUNFLYJBSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000964237827 1214925337 /nfs/dbraw/zinc/92/53/37/1214925337.db2.gz PSOQUPRCZVAYFZ-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964925229 1215005497 /nfs/dbraw/zinc/00/54/97/1215005497.db2.gz MGVLYGYGLWZTDL-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633545 1215893247 /nfs/dbraw/zinc/89/32/47/1215893247.db2.gz RWHZWHNDOQMWLB-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC001222646452 1225642123 /nfs/dbraw/zinc/64/21/23/1225642123.db2.gz AXIVHWYMQUOJQC-SJORKVTESA-N 2 0 367.538 0.565 20 0 FCADRP CCCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959218 1225670255 /nfs/dbraw/zinc/67/02/55/1225670255.db2.gz QLIHWECZZBVLIL-WCXIOVBPSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC001051625418 1216469208 /nfs/dbraw/zinc/46/92/08/1216469208.db2.gz ZYYDVJMYIURDHI-ZTFGCOKTSA-N 2 0 361.490 0.487 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057741425 1216532719 /nfs/dbraw/zinc/53/27/19/1216532719.db2.gz SDWNSJISFSRMLS-BRWVUGGUSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001057861294 1216596926 /nfs/dbraw/zinc/59/69/26/1216596926.db2.gz PPSQVKXZULUUEN-IAGOWNOFSA-N 2 0 368.522 0.140 20 0 FCADRP CCOCC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276873974 1225691579 /nfs/dbraw/zinc/69/15/79/1225691579.db2.gz AGCOGUXVJFSKPY-SFHVURJKSA-N 2 0 366.550 0.879 20 0 FCADRP CCOCC[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276874273 1225691897 /nfs/dbraw/zinc/69/18/97/1225691897.db2.gz GOTIBKLPRUNUKT-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CC4CC4)n3CC2)CC[N@@H+]1C ZINC001069844868 1216805763 /nfs/dbraw/zinc/80/57/63/1216805763.db2.gz OSCJCXMDWMOYBW-FVQBIDKESA-N 2 0 360.506 0.939 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976549 1216879751 /nfs/dbraw/zinc/87/97/51/1216879751.db2.gz RYAJLEZOVPLNKZ-SJORKVTESA-N 2 0 366.429 0.923 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001070015233 1216898203 /nfs/dbraw/zinc/89/82/03/1216898203.db2.gz MJLXXDATWFKXGF-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@@H+]1C ZINC001041300213 1217273163 /nfs/dbraw/zinc/27/31/63/1217273163.db2.gz GCIFQZOCHTZNQA-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223721311 1225730615 /nfs/dbraw/zinc/73/06/15/1225730615.db2.gz GMKAKEOLDPXHSG-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001223763568 1225733751 /nfs/dbraw/zinc/73/37/51/1225733751.db2.gz BHVAYEPQFPRLEE-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223838513 1225740290 /nfs/dbraw/zinc/74/02/90/1225740290.db2.gz KISBKHYOOOLUJC-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912749 1225744713 /nfs/dbraw/zinc/74/47/13/1225744713.db2.gz ZFGWNUSSBASZBE-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223911325 1225744804 /nfs/dbraw/zinc/74/48/04/1225744804.db2.gz DVBYEXGVMNNNEQ-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958681 1225767392 /nfs/dbraw/zinc/76/73/92/1225767392.db2.gz IQLODSIVPXQQIH-HXUWFJFHSA-N 2 0 366.550 0.567 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276981864 1225784571 /nfs/dbraw/zinc/78/45/71/1225784571.db2.gz IKUZEJDUKABAAW-PXNSSMCTSA-N 2 0 358.486 0.612 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000900188329 1217969034 /nfs/dbraw/zinc/96/90/34/1217969034.db2.gz SRSDDIPEKVNIOE-UHFFFAOYSA-N 2 0 367.582 0.936 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000900601302 1218011429 /nfs/dbraw/zinc/01/14/29/1218011429.db2.gz MFPZMKOMNJGERD-BTRQGYIVSA-N 2 0 365.518 0.935 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nc(-c2cnccn2)no1 ZINC000900683195 1218023188 /nfs/dbraw/zinc/02/31/88/1218023188.db2.gz LOLNWQSCXYCYMG-UHFFFAOYSA-N 2 0 361.450 0.872 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000901119582 1218084118 /nfs/dbraw/zinc/08/41/18/1218084118.db2.gz SYEJTNCMHLRBOR-SJLPKXTDSA-N 2 0 363.506 0.942 20 0 FCADRP COc1cncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829134 1218323208 /nfs/dbraw/zinc/32/32/08/1218323208.db2.gz IIIMVOATRIZYOB-PNBKFKSVSA-N 2 0 359.474 0.716 20 0 FCADRP O=C1c2ccccc2C(=O)N1CCOCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453863 1218415877 /nfs/dbraw/zinc/41/58/77/1218415877.db2.gz OGUAOSOIXIDJFH-INIZCTEOSA-N 2 0 372.469 0.279 20 0 FCADRP COc1c(C)cnc(CN2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001277072097 1225822058 /nfs/dbraw/zinc/82/20/58/1225822058.db2.gz KJTKQPUWHQLHJF-UHFFFAOYSA-N 2 0 362.474 0.682 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCO)CC1 ZINC001049476228 1218459950 /nfs/dbraw/zinc/45/99/50/1218459950.db2.gz ADIWVJQCTZVRDO-HCXYKTFWSA-N 2 0 365.518 0.791 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000903777646 1218523244 /nfs/dbraw/zinc/52/32/44/1218523244.db2.gz CJIHEJHTWSKQAD-HUUCEWRRSA-N 2 0 359.474 0.610 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)n1 ZINC001097100991 1218688917 /nfs/dbraw/zinc/68/89/17/1218688917.db2.gz FXDZPUPMCGSXNG-YXWSMURKSA-N 2 0 360.506 0.957 20 0 FCADRP O=C(CCCn1cncn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000748358286 1218703213 /nfs/dbraw/zinc/70/32/13/1218703213.db2.gz SNRQLDNHGMFZPD-UHFFFAOYSA-N 2 0 357.462 0.782 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1=O ZINC001277146284 1225851615 /nfs/dbraw/zinc/85/16/15/1225851615.db2.gz GJVMZNSMQOPRCN-GOSISDBHSA-N 2 0 363.462 0.654 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226781789 1225853926 /nfs/dbraw/zinc/85/39/26/1225853926.db2.gz AXPREWQYUUMTCM-HZPDHXFCSA-N 2 0 368.522 0.640 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001226801393 1225854699 /nfs/dbraw/zinc/85/46/99/1225854699.db2.gz WIACTUYRLAHIBF-IIDMSEBBSA-N 2 0 364.490 0.493 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCCC[NH+](C)C)C[C@H]3C2)CC[N@@H+]1C ZINC001055357673 1219033531 /nfs/dbraw/zinc/03/35/31/1219033531.db2.gz ZQLPEOKUOZICAF-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H](C(=O)NCCN1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1)[NH+](C)C ZINC001055601742 1219095542 /nfs/dbraw/zinc/09/55/42/1219095542.db2.gz AAYMFGWODAZYCP-HYVNUMGLSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000804053041 1219106101 /nfs/dbraw/zinc/10/61/01/1219106101.db2.gz IDFISEXNXPTOOC-IXDOHACOSA-N 2 0 366.506 0.204 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059047 1219111709 /nfs/dbraw/zinc/11/17/09/1219111709.db2.gz JWUHPNZQGDQOLK-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061306 1219115912 /nfs/dbraw/zinc/11/59/12/1219115912.db2.gz XITUSVSYCPVPPR-DLBZAZTESA-N 2 0 364.490 0.053 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061173 1219117930 /nfs/dbraw/zinc/11/79/30/1219117930.db2.gz RURNQRWAGRSWHE-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000804062742 1219118057 /nfs/dbraw/zinc/11/80/57/1219118057.db2.gz KNKZNQQQCNCRAN-PMPSAXMXSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[NH+]3C)CCOCC2)CC[N@@H+]1C ZINC001070132795 1219207539 /nfs/dbraw/zinc/20/75/39/1219207539.db2.gz SMJQFAMFLHOBEL-OAGGEKHMSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208995 1219294452 /nfs/dbraw/zinc/29/44/52/1219294452.db2.gz HTTVPLNZXVVYKP-FGTMMUONSA-N 2 0 369.473 0.555 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209354 1219294631 /nfs/dbraw/zinc/29/46/31/1219294631.db2.gz ZZGXGOVNOCRKLE-IKGGRYGDSA-N 2 0 362.478 0.019 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1n1ccnn1 ZINC001070231853 1219309266 /nfs/dbraw/zinc/30/92/66/1219309266.db2.gz QJBWMQRRCNJJFP-SJORKVTESA-N 2 0 366.429 0.923 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CC1 ZINC001070267847 1219335985 /nfs/dbraw/zinc/33/59/85/1219335985.db2.gz SQJVGOKHTFODJD-MSOLQXFVSA-N 2 0 369.473 0.557 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)CC1 ZINC001070304302 1219363202 /nfs/dbraw/zinc/36/32/02/1219363202.db2.gz VGNDPCBAWQZUKQ-SJORKVTESA-N 2 0 362.478 0.140 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070372813 1219402126 /nfs/dbraw/zinc/40/21/26/1219402126.db2.gz IKTPQMLAXQLGCG-RYRKJORJSA-N 2 0 368.497 0.916 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070378198 1219404745 /nfs/dbraw/zinc/40/47/45/1219404745.db2.gz DJIUSQXVQGWHJJ-OGWOLHLISA-N 2 0 368.497 0.773 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001227901507 1225890209 /nfs/dbraw/zinc/89/02/09/1225890209.db2.gz YVWRFFOKGKCHSG-MGPQQGTHSA-N 2 0 367.494 0.461 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCCF)CC2)C1 ZINC001070382820 1219407776 /nfs/dbraw/zinc/40/77/76/1219407776.db2.gz SIQIJIPXDMBIHM-NUJGCVRESA-N 2 0 368.497 0.773 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]C[C@H]2CCOC2)c1 ZINC001070563462 1219470670 /nfs/dbraw/zinc/47/06/70/1219470670.db2.gz FQWBOIVWAZGUMK-SOLBZPMBSA-N 2 0 361.490 0.436 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070563391 1219470966 /nfs/dbraw/zinc/47/09/66/1219470966.db2.gz AVQUCCAGPVUWPP-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913191 1219566044 /nfs/dbraw/zinc/56/60/44/1219566044.db2.gz DWNOJGGKMPTCSA-BBWFWOEESA-N 2 0 364.490 0.985 20 0 FCADRP O=C(NCCn1ccnc1)[C@H]1CC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277284864 1225902669 /nfs/dbraw/zinc/90/26/69/1225902669.db2.gz ZFFYSFQSNWNQSK-OAHLLOKOSA-N 2 0 356.430 0.797 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070923002 1219579930 /nfs/dbraw/zinc/57/99/30/1219579930.db2.gz RBLGWUJKBBZHAH-OAGGEKHMSA-N 2 0 362.474 0.598 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001071080004 1219601450 /nfs/dbraw/zinc/60/14/50/1219601450.db2.gz HUUWAIPCNJWVNT-SCNOPHJPSA-N 2 0 366.506 0.188 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071080897 1219602091 /nfs/dbraw/zinc/60/20/91/1219602091.db2.gz AXGDXUIKLKQUOZ-SJORKVTESA-N 2 0 365.474 0.933 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342175 1225912028 /nfs/dbraw/zinc/91/20/28/1225912028.db2.gz UVSKMMOZAIAVGG-QZTJIDSGSA-N 2 0 368.522 0.498 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001098223228 1219742886 /nfs/dbraw/zinc/74/28/86/1219742886.db2.gz BCGUENNJBFSSTG-ZACQAIPSSA-N 2 0 358.490 0.712 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1=O ZINC001098223490 1219743708 /nfs/dbraw/zinc/74/37/08/1219743708.db2.gz NVFNYOVBKGFCOE-ZACQAIPSSA-N 2 0 356.470 0.703 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354786 1225914256 /nfs/dbraw/zinc/91/42/56/1225914256.db2.gz DNNZQYJMAHXONP-RBSFLKMASA-N 2 0 369.510 0.578 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCN(C2CCC2)C1=O ZINC001098401807 1219774278 /nfs/dbraw/zinc/77/42/78/1219774278.db2.gz PXCGXCCCCYKJJM-ZJPYXAASSA-N 2 0 360.502 0.957 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001098675701 1219809869 /nfs/dbraw/zinc/80/98/69/1219809869.db2.gz GAZLEGKHQYYFDS-IXDOHACOSA-N 2 0 364.494 0.254 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099114399 1219917841 /nfs/dbraw/zinc/91/78/41/1219917841.db2.gz RWSZAXRWIZGONS-LIVBEALHSA-N 2 0 362.518 0.953 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001099446634 1220000325 /nfs/dbraw/zinc/00/03/25/1220000325.db2.gz RBXLIRYZINPPAQ-WDYCEAGBSA-N 2 0 360.506 0.874 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001099487137 1220012816 /nfs/dbraw/zinc/01/28/16/1220012816.db2.gz BRHXCXYWYPCBKA-ZWOKBUDYSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001099509241 1220017746 /nfs/dbraw/zinc/01/77/46/1220017746.db2.gz ONAXKARSRVUULU-QKLQHJQFSA-N 2 0 362.518 0.825 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001099525838 1220023914 /nfs/dbraw/zinc/02/39/14/1220023914.db2.gz BVGFRYVVAFIVQP-VKJFTORMSA-N 2 0 361.494 0.270 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001099526659 1220023992 /nfs/dbraw/zinc/02/39/92/1220023992.db2.gz QBVXJUUGMXGKAH-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243550 1220242706 /nfs/dbraw/zinc/24/27/06/1220242706.db2.gz LVGSEWHRZBOTOG-VIPLHTEESA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)CC)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243665 1220242777 /nfs/dbraw/zinc/24/27/77/1220242777.db2.gz WZTLWFVQAIEOOU-YZLZLFLDSA-N 2 0 364.534 0.975 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257153 1220249924 /nfs/dbraw/zinc/24/99/24/1220249924.db2.gz IWQBHIYWRULUPG-GJYPPUQNSA-N 2 0 370.513 0.973 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101257208 1220250041 /nfs/dbraw/zinc/25/00/41/1220250041.db2.gz KSWJYDWEMGOSJR-GJYPPUQNSA-N 2 0 368.497 0.679 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267451 1220256399 /nfs/dbraw/zinc/25/63/99/1220256399.db2.gz FVABSPAXSSUQPK-KPFFTGBYSA-N 2 0 364.534 0.975 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342848 1220295278 /nfs/dbraw/zinc/29/52/78/1220295278.db2.gz PUKQBFBYDFGPCO-GJYPPUQNSA-N 2 0 362.518 0.729 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365706 1220303993 /nfs/dbraw/zinc/30/39/93/1220303993.db2.gz FSCBXQRQQWZPHS-GJYPPUQNSA-N 2 0 368.522 0.260 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429939 1220339781 /nfs/dbraw/zinc/33/97/81/1220339781.db2.gz HKTYGJJOBFJEHN-MDYRTPRTSA-N 2 0 362.518 0.635 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431388 1220340990 /nfs/dbraw/zinc/34/09/90/1220340990.db2.gz MNKIBWFGTXCASO-APWZRJJASA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432725 1220342478 /nfs/dbraw/zinc/34/24/78/1220342478.db2.gz YEMAWLHPEILZEE-MDZRGWNJSA-N 2 0 368.522 0.260 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101459550 1220357825 /nfs/dbraw/zinc/35/78/25/1220357825.db2.gz IOPMXOPKJZCZSI-QKLQHJQFSA-N 2 0 362.518 0.587 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001101461470 1220359415 /nfs/dbraw/zinc/35/94/15/1220359415.db2.gz DCFZQGWRYYTPIC-XLIONFOSSA-N 2 0 362.518 0.779 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461750 1220360311 /nfs/dbraw/zinc/36/03/11/1220360311.db2.gz RLPVZWQIMSRIAC-MJGOQNOKSA-N 2 0 366.506 0.015 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976357 1220449934 /nfs/dbraw/zinc/44/99/34/1220449934.db2.gz ZQFOLADOTGYLQC-NXHRZFHOSA-N 2 0 364.534 0.785 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975872 1220450008 /nfs/dbraw/zinc/45/00/08/1220450008.db2.gz FCXPVNJXKAHOBS-NXHRZFHOSA-N 2 0 364.534 0.881 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046284 1220476873 /nfs/dbraw/zinc/47/68/73/1220476873.db2.gz WCZZMGBEAUPGMY-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102050090 1220478241 /nfs/dbraw/zinc/47/82/41/1220478241.db2.gz UAKHFALMEFHMCZ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051878 1220479022 /nfs/dbraw/zinc/47/90/22/1220479022.db2.gz RIDNSGRAMPOPJX-JFIYKMOQSA-N 2 0 371.522 0.179 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109400 1220500467 /nfs/dbraw/zinc/50/04/67/1220500467.db2.gz JOBKPHBWGAWCHC-FRFSOERESA-N 2 0 360.458 0.948 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189100 1220542255 /nfs/dbraw/zinc/54/22/55/1220542255.db2.gz WBADUCBCRVBEKV-OGWOLHLISA-N 2 0 362.518 0.824 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312931 1220582881 /nfs/dbraw/zinc/58/28/81/1220582881.db2.gz VGCKBJFWWFLLGL-CRAIPNDOSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370344 1220595754 /nfs/dbraw/zinc/59/57/54/1220595754.db2.gz XQBXSPUHXYFBIY-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369703 1220597404 /nfs/dbraw/zinc/59/74/04/1220597404.db2.gz DGONYDJIXWVDQB-BRWVUGGUSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373210 1220599156 /nfs/dbraw/zinc/59/91/56/1220599156.db2.gz YUJNZMSOXSCQMG-ARFHVFGLSA-N 2 0 364.490 0.161 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427470 1220621430 /nfs/dbraw/zinc/62/14/30/1220621430.db2.gz VSQNFQXFIYPVHS-KFWWJZLASA-N 2 0 367.494 0.128 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473576 1220643837 /nfs/dbraw/zinc/64/38/37/1220643837.db2.gz GTHNNVOUEQZNLH-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102496313 1220656873 /nfs/dbraw/zinc/65/68/73/1220656873.db2.gz PUUFRRMBYXLCFY-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514090 1220673192 /nfs/dbraw/zinc/67/31/92/1220673192.db2.gz MGSOLHQBKLUQKK-IXDOHACOSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514032 1220673584 /nfs/dbraw/zinc/67/35/84/1220673584.db2.gz KAMMLLURWRVDFQ-BPQIPLTHSA-N 2 0 364.534 0.929 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580543 1220703452 /nfs/dbraw/zinc/70/34/52/1220703452.db2.gz BNAGTPWVBUEBPT-KZNAEPCWSA-N 2 0 371.522 0.302 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583091 1220705434 /nfs/dbraw/zinc/70/54/34/1220705434.db2.gz RBBOFCKYNLSOHM-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598820 1220721989 /nfs/dbraw/zinc/72/19/89/1220721989.db2.gz BAICFAOQFZZECE-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601004 1220723719 /nfs/dbraw/zinc/72/37/19/1220723719.db2.gz GNZYDSJNZHGTRA-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993965 1220817413 /nfs/dbraw/zinc/81/74/13/1220817413.db2.gz NQYKESYUBNUIGG-KYJSFNMBSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089897 1220830771 /nfs/dbraw/zinc/83/07/71/1220830771.db2.gz FNYFVZPBYOOMEH-FMKPAKJESA-N 2 0 364.490 0.350 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085315 1220830965 /nfs/dbraw/zinc/83/09/65/1220830965.db2.gz PRNPDSYGOTVPAB-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001103140094 1220839524 /nfs/dbraw/zinc/83/95/24/1220839524.db2.gz MUWTVOULPSHPDQ-BZUAXINKSA-N 2 0 366.506 0.550 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148022 1220840657 /nfs/dbraw/zinc/84/06/57/1220840657.db2.gz KVAPLTKVNQHFGU-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185829 1220847870 /nfs/dbraw/zinc/84/78/70/1220847870.db2.gz SKLWJVXNFXOCNK-ZACQAIPSSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103192123 1220848103 /nfs/dbraw/zinc/84/81/03/1220848103.db2.gz BFIXUIWXFSYYMX-FRFSOERESA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232533 1220854561 /nfs/dbraw/zinc/85/45/61/1220854561.db2.gz SUGKNXQSILWDIJ-CPUCHLNUSA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103396979 1220877109 /nfs/dbraw/zinc/87/71/09/1220877109.db2.gz SCDQUYVWRJOGOJ-NVXWUHKLSA-N 2 0 365.522 0.428 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001103444837 1220884529 /nfs/dbraw/zinc/88/45/29/1220884529.db2.gz LLPMPIWHEFYTKZ-ZACQAIPSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520513 1220894746 /nfs/dbraw/zinc/89/47/46/1220894746.db2.gz UAEGYMFGVRXUAV-QLFBSQMISA-N 2 0 364.494 0.006 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584505 1220908615 /nfs/dbraw/zinc/90/86/15/1220908615.db2.gz WNTVPQFAZWBJTR-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641855 1220924271 /nfs/dbraw/zinc/92/42/71/1220924271.db2.gz GUIOCUZAXHBKTK-NVXWUHKLSA-N 2 0 365.522 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103641801 1220924900 /nfs/dbraw/zinc/92/49/00/1220924900.db2.gz DYVAUFFFTVMISQ-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654941 1220930894 /nfs/dbraw/zinc/93/08/94/1220930894.db2.gz IXZFIOKHMLUWNK-BZUAXINKSA-N 2 0 366.506 0.598 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001103663420 1220932975 /nfs/dbraw/zinc/93/29/75/1220932975.db2.gz ACPRXTBZJVTCAV-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721549 1220952384 /nfs/dbraw/zinc/95/23/84/1220952384.db2.gz XLDLNLIFYNXWBL-ZACQAIPSSA-N 2 0 367.538 0.720 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1 ZINC001229353784 1226005791 /nfs/dbraw/zinc/00/57/91/1226005791.db2.gz CAYYKQKMLJHUHY-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001103999800 1220996630 /nfs/dbraw/zinc/99/66/30/1220996630.db2.gz LHHWQEMZNKFBLP-KFWWJZLASA-N 2 0 363.462 0.782 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001103999724 1220996663 /nfs/dbraw/zinc/99/66/63/1220996663.db2.gz JAWKORJVRKNDPU-IIAWOOMASA-N 2 0 361.494 0.676 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000012 1220997157 /nfs/dbraw/zinc/99/71/57/1220997157.db2.gz SCYRCCLYDYMHGB-OAGGEKHMSA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104202454 1221021185 /nfs/dbraw/zinc/02/11/85/1221021185.db2.gz AYQAZCKCCCMAFW-KYJSFNMBSA-N 2 0 362.518 0.681 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751277 1221088847 /nfs/dbraw/zinc/08/88/47/1221088847.db2.gz OMFKPZDKIUVBKN-NSHGMRRFSA-N 2 0 365.518 0.962 20 0 FCADRP CN(CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)c1cc[nH+]cc1 ZINC001111794696 1221112743 /nfs/dbraw/zinc/11/27/43/1221112743.db2.gz FQUDNYXDGIIKES-KNBMTAEXSA-N 2 0 371.485 0.767 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H](C1CC1)[NH+]1CCCC1 ZINC001111817232 1221125056 /nfs/dbraw/zinc/12/50/56/1221125056.db2.gz VQUCQZZGOXTNQY-BJLQDIEVSA-N 2 0 365.518 0.840 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000782588198 1221172990 /nfs/dbraw/zinc/17/29/90/1221172990.db2.gz VVZJSSRNCCPBFW-IRXDYDNUSA-N 2 0 374.485 0.709 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000782588200 1221173500 /nfs/dbraw/zinc/17/35/00/1221173500.db2.gz VVZJSSRNCCPBFW-SJORKVTESA-N 2 0 374.485 0.709 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN([C@@H](C)c1nnnn1C)C2 ZINC001111950831 1221182353 /nfs/dbraw/zinc/18/23/53/1221182353.db2.gz CRXWPNBHSUETKK-MPGHIAIKSA-N 2 0 363.510 0.974 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983538 1221193853 /nfs/dbraw/zinc/19/38/53/1221193853.db2.gz MTDVHHDATFVSLP-ZWOKBUDYSA-N 2 0 362.518 0.777 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1)C1CC1 ZINC001112021451 1221202588 /nfs/dbraw/zinc/20/25/88/1221202588.db2.gz ODIOOBQDMFZDHL-KXBFYZLASA-N 2 0 359.474 0.865 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001112401580 1221252614 /nfs/dbraw/zinc/25/26/14/1221252614.db2.gz MVOXEZVYAYCHGA-YWZLYKJASA-N 2 0 362.518 0.968 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229691894 1226027511 /nfs/dbraw/zinc/02/75/11/1226027511.db2.gz BILPJRNNVKSPIT-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447458 1221261842 /nfs/dbraw/zinc/26/18/42/1221261842.db2.gz YYGUJNBCSGDUBM-LPHOPBHVSA-N 2 0 362.518 0.969 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692524 1226027763 /nfs/dbraw/zinc/02/77/63/1226027763.db2.gz JGFCSVFVPFCTAC-RBSFLKMASA-N 2 0 367.494 0.191 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229691891 1226028046 /nfs/dbraw/zinc/02/80/46/1226028046.db2.gz BILPJRNNVKSPIT-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001229860647 1226036972 /nfs/dbraw/zinc/03/69/72/1226036972.db2.gz XVKRDDPNGBDWRC-HUUCEWRRSA-N 2 0 362.478 0.774 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001229877389 1226038391 /nfs/dbraw/zinc/03/83/91/1226038391.db2.gz RVTDIGAHHBWTNZ-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061349 1221450556 /nfs/dbraw/zinc/45/05/56/1221450556.db2.gz ALNIFGCTMHYWIQ-QGZVFWFLSA-N 2 0 370.497 0.555 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC=CCC1 ZINC001117357259 1221531097 /nfs/dbraw/zinc/53/10/97/1221531097.db2.gz JHCLRANXNITHIF-KRWDZBQOSA-N 2 0 371.485 0.935 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc(C(N)=O)c3)C2)OCC1=O ZINC001277444031 1226050711 /nfs/dbraw/zinc/05/07/11/1226050711.db2.gz YQZHSYHAHBLVJF-IBGZPJMESA-N 2 0 360.458 0.150 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC2CC[NH2+]CC2)ccc1N1CC[NH+](C)CC1 ZINC001117954882 1221666450 /nfs/dbraw/zinc/66/64/50/1221666450.db2.gz DZJQEJCIPSPYKP-UHFFFAOYSA-N 2 0 373.501 0.801 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001117956069 1221666878 /nfs/dbraw/zinc/66/68/78/1221666878.db2.gz VBZHOMRMBWAZTO-MRXNPFEDSA-N 2 0 361.490 0.785 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001118015900 1221687444 /nfs/dbraw/zinc/68/74/44/1221687444.db2.gz PDZAWCIWSDZTPD-UHFFFAOYSA-N 2 0 359.474 0.242 20 0 FCADRP Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001118019042 1221687805 /nfs/dbraw/zinc/68/78/05/1221687805.db2.gz MBTMELSHVZISCI-KRWDZBQOSA-N 2 0 360.506 0.853 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001118098836 1221709385 /nfs/dbraw/zinc/70/93/85/1221709385.db2.gz BDHOZAMCXWVCJK-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP [NH3+]CCn1cc(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nn1 ZINC001118505836 1221790533 /nfs/dbraw/zinc/79/05/33/1221790533.db2.gz HOWMLCZNJWLXLV-UHFFFAOYSA-N 2 0 372.477 0.447 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001230266331 1226070079 /nfs/dbraw/zinc/07/00/79/1226070079.db2.gz BBRPKLZNFMGFOP-OAGGEKHMSA-N 2 0 364.490 0.685 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001118928350 1221845608 /nfs/dbraw/zinc/84/56/08/1221845608.db2.gz LFZRJQJIRFLLER-WNRNVDISSA-N 2 0 364.534 0.833 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001119362156 1221905946 /nfs/dbraw/zinc/90/59/46/1221905946.db2.gz ILOFBILMSSLPCP-SJLPKXTDSA-N 2 0 360.502 0.987 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC001119368094 1221907546 /nfs/dbraw/zinc/90/75/46/1221907546.db2.gz HJBWXGUBBOGSMW-IRXDYDNUSA-N 2 0 360.458 0.426 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC001119412116 1221913560 /nfs/dbraw/zinc/91/35/60/1221913560.db2.gz QVCVLURFKPFUOE-GVDBMIGSSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001120394909 1222077119 /nfs/dbraw/zinc/07/71/19/1222077119.db2.gz TYOBEKVQSDZLOI-AWEZNQCLSA-N 2 0 360.458 0.701 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4c3OCC4)C2)OCC1=O ZINC001277478086 1226094102 /nfs/dbraw/zinc/09/41/02/1226094102.db2.gz GLQDFBXYNGUTPV-HXUWFJFHSA-N 2 0 359.470 0.986 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC001120465043 1222090077 /nfs/dbraw/zinc/09/00/77/1222090077.db2.gz LTVCRQFCMUIENU-UHFFFAOYSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001120478701 1222092873 /nfs/dbraw/zinc/09/28/73/1222092873.db2.gz URUSIMOFZNMWOP-NVXWUHKLSA-N 2 0 360.506 0.878 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001120626533 1222109784 /nfs/dbraw/zinc/10/97/84/1222109784.db2.gz RJGQAWJXMUIJCA-LPHOPBHVSA-N 2 0 359.474 0.447 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)CC1 ZINC001120748140 1222118276 /nfs/dbraw/zinc/11/82/76/1222118276.db2.gz CIATXAPKYBCLAG-UHFFFAOYSA-N 2 0 366.550 0.709 20 0 FCADRP C[NH+]1CC[C@@]2(CCN(c3ncnc(N4CC[C@@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC001120935065 1222131063 /nfs/dbraw/zinc/13/10/63/1222131063.db2.gz NDMKKILVTGRBCL-RTBURBONSA-N 2 0 357.506 0.936 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001121928312 1222225552 /nfs/dbraw/zinc/22/55/52/1222225552.db2.gz MPVSZAKTELRDKD-FOIQADDNSA-N 2 0 360.502 0.795 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122009540 1222233647 /nfs/dbraw/zinc/23/36/47/1222233647.db2.gz TUARIFJIALKFKF-IBGZPJMESA-N 2 0 359.518 0.344 20 0 FCADRP Cc1ccc(O)c(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001231671175 1226116203 /nfs/dbraw/zinc/11/62/03/1226116203.db2.gz GXJRVEJDKBSVBT-CRAIPNDOSA-N 2 0 362.474 0.707 20 0 FCADRP COCCn1cc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001139779949 1222558828 /nfs/dbraw/zinc/55/88/28/1222558828.db2.gz KIZXTAMORSEWEH-UHFFFAOYSA-N 2 0 373.501 0.854 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475739 1222681627 /nfs/dbraw/zinc/68/16/27/1222681627.db2.gz JPSASEIZWPMOIE-ROUUACIJSA-N 2 0 368.522 0.776 20 0 FCADRP C[NH+](C)CCCN1CCN(Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232362461 1226148327 /nfs/dbraw/zinc/14/83/27/1226148327.db2.gz WBQVOQDYCSHBIG-UHFFFAOYSA-N 2 0 360.550 0.903 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(N4CCOCC4=O)CC3)cn2)CC1 ZINC001232364602 1226148588 /nfs/dbraw/zinc/14/85/88/1226148588.db2.gz WUTJKBFKMORYOD-UHFFFAOYSA-N 2 0 373.501 0.657 20 0 FCADRP [NH3+]CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000841014254 1222804919 /nfs/dbraw/zinc/80/49/19/1222804919.db2.gz SBNAWWVZGNTOTC-UHFFFAOYSA-N 2 0 369.425 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@@H+](C2CC2)C1 ZINC000841136752 1222809238 /nfs/dbraw/zinc/80/92/38/1222809238.db2.gz ZULVZUJREGSZLU-AWEZNQCLSA-N 2 0 360.458 0.905 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1)C1CC[NH+](C)CC1 ZINC000841160693 1222811112 /nfs/dbraw/zinc/81/11/12/1222811112.db2.gz FFVWPNIVCDCHQX-AWEZNQCLSA-N 2 0 359.474 0.715 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000841162191 1222811510 /nfs/dbraw/zinc/81/15/10/1222811510.db2.gz XWBUJIJVRLHRII-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000841172993 1222811935 /nfs/dbraw/zinc/81/19/35/1222811935.db2.gz FWJLLPXWYKKHTD-HNNXBMFYSA-N 2 0 373.501 0.976 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841190109 1222812835 /nfs/dbraw/zinc/81/28/35/1222812835.db2.gz PULVYCVYAFAAAQ-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000841208006 1222813663 /nfs/dbraw/zinc/81/36/63/1222813663.db2.gz WOQRTMQUNLZTJK-CVEARBPZSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000841206773 1222813880 /nfs/dbraw/zinc/81/38/80/1222813880.db2.gz CSXRZKZXOPIJGB-HZPDHXFCSA-N 2 0 373.501 0.963 20 0 FCADRP CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220909 1222816070 /nfs/dbraw/zinc/81/60/70/1222816070.db2.gz ILFRVXWYNRQLGQ-FLXSYLCISA-N 2 0 356.470 0.142 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841754913 1222828949 /nfs/dbraw/zinc/82/89/49/1222828949.db2.gz WBXIFAFAYNQVCJ-UHFFFAOYSA-N 2 0 365.522 0.762 20 0 FCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164385 1222838608 /nfs/dbraw/zinc/83/86/08/1222838608.db2.gz JMFSSCCKOVRZPX-IAGOWNOFSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000842189812 1222839870 /nfs/dbraw/zinc/83/98/70/1222839870.db2.gz QLTLUIVAAVPFGG-LVCYWYKZSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842190487 1222840207 /nfs/dbraw/zinc/84/02/07/1222840207.db2.gz SNSQQNIEIYTBEZ-LVCYWYKZSA-N 2 0 370.497 0.693 20 0 FCADRP Nc1cn(C(=O)[C@@H]2CC3CC[NH+]2CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001142625990 1222845369 /nfs/dbraw/zinc/84/53/69/1222845369.db2.gz AOAVCZZXMSZPKM-SFHVURJKSA-N 2 0 359.474 0.428 20 0 FCADRP COc1cc(N(C(=O)CCN2CC[NH+](C)CC2)C2CC[NH2+]CC2)ccn1 ZINC001143230516 1222871509 /nfs/dbraw/zinc/87/15/09/1222871509.db2.gz ATMZELCMPOXSBI-UHFFFAOYSA-N 2 0 361.490 0.813 20 0 FCADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000843474850 1222878000 /nfs/dbraw/zinc/87/80/00/1222878000.db2.gz XSYKUMMNPUSXET-AWEZNQCLSA-N 2 0 356.430 0.748 20 0 FCADRP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](C[C@H](O)COC)CC1 ZINC001151138044 1222917734 /nfs/dbraw/zinc/91/77/34/1222917734.db2.gz RITKKXBSRICBKO-IXDOHACOSA-N 2 0 371.522 0.321 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCOCCNC(C)=O)CC[N@@H+]1C ZINC001153501356 1222978210 /nfs/dbraw/zinc/97/82/10/1222978210.db2.gz LOMJIPSGFCXKTE-BPQIPLTHSA-N 2 0 370.538 0.696 20 0 FCADRP O=C(c1cccnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001155597306 1223039022 /nfs/dbraw/zinc/03/90/22/1223039022.db2.gz LNPOJOGPCXDEIF-KXBFYZLASA-N 2 0 359.474 0.698 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001157323873 1223073857 /nfs/dbraw/zinc/07/38/57/1223073857.db2.gz YYSMBSKWSGRPSO-GOEBONIOSA-N 2 0 365.478 0.104 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1COC2(C1)CC[NH2+]CC2)C(=O)N1CCCC1 ZINC001157370931 1223075676 /nfs/dbraw/zinc/07/56/76/1223075676.db2.gz LFWDBHOJVHMJFL-CVEARBPZSA-N 2 0 366.506 0.381 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721523 1223081021 /nfs/dbraw/zinc/08/10/21/1223081021.db2.gz ZAPJBVKYJWEFTI-ZWKOTPCHSA-N 2 0 358.486 0.155 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)CC1 ZINC001157773098 1223081742 /nfs/dbraw/zinc/08/17/42/1223081742.db2.gz HWSRXSDBBYSMIH-FCEWJHQRSA-N 2 0 360.433 0.779 20 0 FCADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157850236 1223082631 /nfs/dbraw/zinc/08/26/31/1223082631.db2.gz XJUJMPGCLMTWRR-UGUYLWEFSA-N 2 0 368.522 0.706 20 0 FCADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001157847178 1223083073 /nfs/dbraw/zinc/08/30/73/1223083073.db2.gz KPSQXLOZWSLNTK-DVOMOZLQSA-N 2 0 358.446 0.590 20 0 FCADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970333 1223085261 /nfs/dbraw/zinc/08/52/61/1223085261.db2.gz BMOXMZRGTFQFNU-KRWDZBQOSA-N 2 0 352.442 0.673 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc(OC4CC[NH2+]CC4)nn3)n2)c1 ZINC001158045465 1223087656 /nfs/dbraw/zinc/08/76/56/1223087656.db2.gz BQWUHVKRKWAIRS-UHFFFAOYSA-N 2 0 352.402 0.709 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081386 1223088313 /nfs/dbraw/zinc/08/83/13/1223088313.db2.gz ADDMSTSEFPDUQF-AWEZNQCLSA-N 2 0 360.462 0.044 20 0 FCADRP O=C(c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158082232 1223088591 /nfs/dbraw/zinc/08/85/91/1223088591.db2.gz MHHMKTYEHDZNJY-IAGOWNOFSA-N 2 0 370.453 0.080 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001158102731 1223089104 /nfs/dbraw/zinc/08/91/04/1223089104.db2.gz WFBVETGMQQQEMN-BBRMVZONSA-N 2 0 370.375 0.786 20 0 FCADRP C[NH2+][C@@H](CO)C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138246 1223089326 /nfs/dbraw/zinc/08/93/26/1223089326.db2.gz PUEMOKBKQORCKF-MSOLQXFVSA-N 2 0 361.486 0.897 20 0 FCADRP [NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)c1ccc2ccccc2c1 ZINC001158119000 1223089720 /nfs/dbraw/zinc/08/97/20/1223089720.db2.gz FNRCLELKHKFBBR-LAUBAEHRSA-N 2 0 364.449 0.778 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167035 1223090213 /nfs/dbraw/zinc/09/02/13/1223090213.db2.gz HLTBKHNILYKZCA-BRWVUGGUSA-N 2 0 361.442 0.284 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167873 1223090289 /nfs/dbraw/zinc/09/02/89/1223090289.db2.gz MQQKDWLQCOFEAZ-GUDVDZBRSA-N 2 0 358.486 0.297 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192877 1223090483 /nfs/dbraw/zinc/09/04/83/1223090483.db2.gz HLSLWYOMGWBTHY-GBESFXJTSA-N 2 0 369.469 0.890 20 0 FCADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cn1 ZINC001158282009 1223093451 /nfs/dbraw/zinc/09/34/51/1223093451.db2.gz IKJZINOEASMCPQ-MSOLQXFVSA-N 2 0 363.506 0.763 20 0 FCADRP [NH3+]C1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC001158276683 1223093576 /nfs/dbraw/zinc/09/35/76/1223093576.db2.gz DHCKZRNKHLBYPJ-UHFFFAOYSA-N 2 0 352.442 0.195 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]CCn2cncn2)CC1 ZINC001158282169 1223093883 /nfs/dbraw/zinc/09/38/83/1223093883.db2.gz MONZLVOCMUBBLB-SJORKVTESA-N 2 0 364.494 0.121 20 0 FCADRP O=C(c1cccc2c1C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158284821 1223093920 /nfs/dbraw/zinc/09/39/20/1223093920.db2.gz DSVCLSVTMUDNAH-UHFFFAOYSA-N 2 0 352.442 0.659 20 0 FCADRP O=C(c1cncc2c1CC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286101 1223094208 /nfs/dbraw/zinc/09/42/08/1223094208.db2.gz QIPRVLUSEMSVJM-UHFFFAOYSA-N 2 0 353.430 0.054 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1C ZINC001158404176 1223096817 /nfs/dbraw/zinc/09/68/17/1223096817.db2.gz RJXXFUHYEXSZSO-SOUVJXGZSA-N 2 0 362.478 0.630 20 0 FCADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158416192 1223097370 /nfs/dbraw/zinc/09/73/70/1223097370.db2.gz SQUJFXZJAQUHEF-SPYBWZPUSA-N 2 0 365.474 0.431 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001158412585 1223097419 /nfs/dbraw/zinc/09/74/19/1223097419.db2.gz PZWVILMQUSQOJB-LSDHHAIUSA-N 2 0 365.526 0.797 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001158467479 1223099532 /nfs/dbraw/zinc/09/95/32/1223099532.db2.gz IIWKOHFCAFJEQP-YZVOILCLSA-N 3 0 366.506 0.224 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533439 1223101679 /nfs/dbraw/zinc/10/16/79/1223101679.db2.gz LRNCULDDIOVNLV-FTEYMNFISA-N 2 0 359.470 0.771 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548283 1223102584 /nfs/dbraw/zinc/10/25/84/1223102584.db2.gz RWXULZJWPBOYIF-QSFMABPGSA-N 2 0 357.454 0.861 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734860 1223105930 /nfs/dbraw/zinc/10/59/30/1223105930.db2.gz GVVPXBUVNZOWII-QAETUUGQSA-N 2 0 358.442 0.028 20 0 FCADRP C[N@H+](C1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C1)[C@H]1CCOC1 ZINC001158738100 1223106589 /nfs/dbraw/zinc/10/65/89/1223106589.db2.gz ZAQWVEZAPWVPGX-HNNXBMFYSA-N 2 0 373.505 0.981 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903789 1223112196 /nfs/dbraw/zinc/11/21/96/1223112196.db2.gz OYAOEYIDUHHTOO-XUWXXGDYSA-N 3 0 365.453 0.531 20 0 FCADRP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC3)cn1 ZINC001158991968 1223114781 /nfs/dbraw/zinc/11/47/81/1223114781.db2.gz RXXCPPVEDDFIPI-NVXWUHKLSA-N 2 0 361.490 0.612 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001159057875 1223116032 /nfs/dbraw/zinc/11/60/32/1223116032.db2.gz OCTYIALZPFIRDF-KRWDZBQOSA-N 2 0 374.485 0.867 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031642 1223116087 /nfs/dbraw/zinc/11/60/87/1223116087.db2.gz ZZZQNFUNAXLBRZ-INIZCTEOSA-N 2 0 359.474 0.489 20 0 FCADRP Cn1nnc2c1CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])[C@H]2COCC[NH+]1CCCC1 ZINC001159123591 1223118024 /nfs/dbraw/zinc/11/80/24/1223118024.db2.gz JUYWSSPFGZWBBO-DZKIICNBSA-N 2 0 362.478 0.091 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001159135759 1223118566 /nfs/dbraw/zinc/11/85/66/1223118566.db2.gz ZAQJOCUEIXKEDR-DOTOQJQBSA-N 2 0 357.458 0.679 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160681 1223119478 /nfs/dbraw/zinc/11/94/78/1223119478.db2.gz OMLPVDGRQXEVPG-CABCVRRESA-N 2 0 366.506 0.474 20 0 FCADRP Cc1cccc(N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339266 1223124567 /nfs/dbraw/zinc/12/45/67/1223124567.db2.gz NDOPAUHRNTYDAN-GIUOSPMZSA-N 2 0 370.497 0.801 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338475 1223124813 /nfs/dbraw/zinc/12/48/13/1223124813.db2.gz FHYSCOBBWMGCGO-LQWHRVPQSA-N 3 0 370.497 0.658 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CCC2 ZINC001159481811 1223127998 /nfs/dbraw/zinc/12/79/98/1223127998.db2.gz VZBKUMYOBORJPB-HWWDLCQESA-N 2 0 359.474 0.281 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)C2 ZINC001159472690 1223128022 /nfs/dbraw/zinc/12/80/22/1223128022.db2.gz XXIDNYHVBVRSKM-GNVJSZRZSA-N 2 0 362.518 0.415 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549169 1223129146 /nfs/dbraw/zinc/12/91/46/1223129146.db2.gz MLYQJUOPGWUKBC-LJQANCHMSA-N 2 0 361.490 0.762 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@@H]21 ZINC001159534660 1223129219 /nfs/dbraw/zinc/12/92/19/1223129219.db2.gz PMFBCBBYQGZSBX-OWSLCNJRSA-N 3 0 362.522 0.649 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@@H]21 ZINC001159534662 1223129409 /nfs/dbraw/zinc/12/94/09/1223129409.db2.gz PMFBCBBYQGZSBX-XDNAFOTISA-N 3 0 362.522 0.649 20 0 FCADRP C[C@@]1(C(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)CC[NH2+]C[C@@H]1O ZINC001159549537 1223129979 /nfs/dbraw/zinc/12/99/79/1223129979.db2.gz ONZJNRYCTPVGSY-PKOBYXMFSA-N 2 0 361.490 0.618 20 0 FCADRP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610834 1223131365 /nfs/dbraw/zinc/13/13/65/1223131365.db2.gz UYFSPCDXDIKZCQ-BLLLJJGKSA-N 2 0 374.489 0.246 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC(O)CC3)CC[C@@H]2C1 ZINC001159636556 1223131669 /nfs/dbraw/zinc/13/16/69/1223131669.db2.gz UPRLMVLTSJYDEM-GNBAHCQZSA-N 2 0 369.506 0.061 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)[C@@H]2C ZINC001159632996 1223131734 /nfs/dbraw/zinc/13/17/34/1223131734.db2.gz DVKVASBCFUYOKB-VCBZYWHSSA-N 2 0 360.506 0.578 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@H]2C ZINC001159634134 1223131777 /nfs/dbraw/zinc/13/17/77/1223131777.db2.gz WKPJBOFBFKQEOM-XJKSGUPXSA-N 2 0 359.478 0.920 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)[C@H]2C ZINC001159632995 1223131819 /nfs/dbraw/zinc/13/18/19/1223131819.db2.gz DVKVASBCFUYOKB-KHYOSLBOSA-N 2 0 360.506 0.578 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@@H]2C ZINC001159634132 1223131980 /nfs/dbraw/zinc/13/19/80/1223131980.db2.gz WKPJBOFBFKQEOM-CJNGLKHVSA-N 2 0 359.478 0.920 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2)C1CC[NH2+]CC1 ZINC001159677071 1223133362 /nfs/dbraw/zinc/13/33/62/1223133362.db2.gz DABYGBBYSNZUDK-GOSISDBHSA-N 2 0 373.501 0.606 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746082 1223135564 /nfs/dbraw/zinc/13/55/64/1223135564.db2.gz BBNJWQLLPZXTOE-FRQCXROJSA-N 2 0 366.506 0.237 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856315 1223138444 /nfs/dbraw/zinc/13/84/44/1223138444.db2.gz SWJRGHKOAJHQEU-KBAYOESNSA-N 2 0 373.432 0.783 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001159929696 1223139792 /nfs/dbraw/zinc/13/97/92/1223139792.db2.gz JDAKCCMVKQOYKA-GNBUJSLZSA-N 2 0 364.534 0.772 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159939947 1223140357 /nfs/dbraw/zinc/14/03/57/1223140357.db2.gz ZFTRKPQQAJJYCB-MXASKKJJSA-N 2 0 366.506 0.365 20 0 FCADRP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159967123 1223141475 /nfs/dbraw/zinc/14/14/75/1223141475.db2.gz LDEIOXBBKAXMMO-XOKHGSTOSA-N 2 0 372.444 0.308 20 0 FCADRP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]12 ZINC001159993448 1223142221 /nfs/dbraw/zinc/14/22/21/1223142221.db2.gz OZPSGRLAERVYCR-QUCCMNQESA-N 2 0 358.486 0.716 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160058628 1223143528 /nfs/dbraw/zinc/14/35/28/1223143528.db2.gz LRRYZRHRECQHKP-INIZCTEOSA-N 2 0 371.489 0.632 20 0 FCADRP [NH3+][C@H](C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1)C1CC[NH2+]CC1 ZINC001160065276 1223144058 /nfs/dbraw/zinc/14/40/58/1223144058.db2.gz IARNCWSUVRFXIC-SFHVURJKSA-N 2 0 369.473 0.241 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139409 1223146719 /nfs/dbraw/zinc/14/67/19/1223146719.db2.gz ZPEZWVBDGJJANS-GGXPGOJBSA-N 2 0 360.458 0.560 20 0 FCADRP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160203511 1223149831 /nfs/dbraw/zinc/14/98/31/1223149831.db2.gz WPKZHEOAWNNAEQ-IAGOWNOFSA-N 2 0 374.529 0.731 20 0 FCADRP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)O1 ZINC001160226832 1223150817 /nfs/dbraw/zinc/15/08/17/1223150817.db2.gz ARUQROYYDVXKHX-TXPKVOOTSA-N 2 0 368.522 0.755 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1CC[NH2+]C[C@@H]1F)CCC2 ZINC001160370960 1223156354 /nfs/dbraw/zinc/15/63/54/1223156354.db2.gz DROSXPXUZLFXAS-GJZGRUSLSA-N 2 0 367.469 0.641 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160417420 1223158245 /nfs/dbraw/zinc/15/82/45/1223158245.db2.gz CEQUZRUYCXNJOL-KXBFYZLASA-N 2 0 374.489 0.669 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001160422407 1223159022 /nfs/dbraw/zinc/15/90/22/1223159022.db2.gz FQOCRJTXPDMJSR-DZRGKWQISA-N 2 0 358.486 0.863 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423163 1223159147 /nfs/dbraw/zinc/15/91/47/1223159147.db2.gz KQLQSLNTENZJER-OQIJWPOYSA-N 2 0 357.502 0.702 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001160424478 1223159256 /nfs/dbraw/zinc/15/92/56/1223159256.db2.gz VAULNAONMSXBRE-DLVXIWMQSA-N 2 0 357.502 0.831 20 0 FCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160536856 1223163701 /nfs/dbraw/zinc/16/37/01/1223163701.db2.gz BCZIHOPTWBRPIP-IRXDYDNUSA-N 3 0 367.538 0.376 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160586141 1223165414 /nfs/dbraw/zinc/16/54/14/1223165414.db2.gz XJWQDPCYACBTPV-HNNXBMFYSA-N 2 0 368.441 0.146 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1ccccc1)C1CCOCC1 ZINC001160590269 1223165753 /nfs/dbraw/zinc/16/57/53/1223165753.db2.gz KHHJKILUVIRHQM-IBGZPJMESA-N 2 0 360.502 0.945 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2nccc3occc32)CC1 ZINC001160589903 1223166247 /nfs/dbraw/zinc/16/62/47/1223166247.db2.gz CWSXZZMMLLOEPW-INIZCTEOSA-N 2 0 372.473 0.227 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2cc3ccccc3[nH]2)N2CCC[C@@H]([NH3+])C2)CCO1 ZINC001160643231 1223167450 /nfs/dbraw/zinc/16/74/50/1223167450.db2.gz DLYUBVQZIZWLAK-JTDSTZFVSA-N 2 0 371.485 0.818 20 0 FCADRP O=C(N1CCN(c2cccc3n[nH]cc32)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160668689 1223168165 /nfs/dbraw/zinc/16/81/65/1223168165.db2.gz ZACCARAQWUJCIS-AUUYWEPGSA-N 2 0 354.458 0.411 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704526 1223169255 /nfs/dbraw/zinc/16/92/55/1223169255.db2.gz LLIYCSDZIBZLST-CEXWTWQISA-N 2 0 354.498 0.728 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCc3cc(=O)oc4cc(O)ccc34)C[C@H]2C1 ZINC001160703823 1223169337 /nfs/dbraw/zinc/16/93/37/1223169337.db2.gz FJHDDDNPURFQEW-VBQJREDUSA-N 2 0 371.437 0.779 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[C@@]4(C3)C[NH2+]CCO4)C[C@H]1C[NH2+]CC2 ZINC001160810576 1223174528 /nfs/dbraw/zinc/17/45/28/1223174528.db2.gz CMSYNIZNROHDQU-OSGQAZFXSA-N 2 0 365.474 0.146 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3Cc4cc(O)ccc4C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811328 1223174718 /nfs/dbraw/zinc/17/47/18/1223174718.db2.gz NSHPFRYOVSHZHW-OXFYSEKESA-N 2 0 373.453 0.408 20 0 FCADRP O=C([C@H](c1ccco1)N1CCC[NH2+]CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999556 1223182498 /nfs/dbraw/zinc/18/24/98/1223182498.db2.gz HLCCRMXINNQYFG-SJORKVTESA-N 2 0 362.474 0.331 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000066 1223182682 /nfs/dbraw/zinc/18/26/82/1223182682.db2.gz OWBZHACFPCWMSL-IAGOWNOFSA-N 2 0 360.502 0.598 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)c2ccco2)CC1 ZINC001161000898 1223182967 /nfs/dbraw/zinc/18/29/67/1223182967.db2.gz VXWQQLBKCLHKTI-DLBZAZTESA-N 2 0 362.474 0.459 20 0 FCADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161049290 1223184556 /nfs/dbraw/zinc/18/45/56/1223184556.db2.gz FLIAAERZLPANHO-IKGGRYGDSA-N 3 0 367.538 0.375 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062457 1223184609 /nfs/dbraw/zinc/18/46/09/1223184609.db2.gz KGYCCRJQIJAFNQ-JONQDZQNSA-N 2 0 368.522 0.848 20 0 FCADRP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC2)ncn1 ZINC001161093441 1223185509 /nfs/dbraw/zinc/18/55/09/1223185509.db2.gz OETSATBQXJHTJN-HNNXBMFYSA-N 2 0 364.494 0.629 20 0 FCADRP COc1cc(N2CCN(C(=O)c3ccc([C@H](N)C[NH3+])cc3)CC2)ncn1 ZINC001161092814 1223185918 /nfs/dbraw/zinc/18/59/18/1223185918.db2.gz BMPAUVQYLCAQMN-OAHLLOKOSA-N 2 0 356.430 0.406 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196383 1223188311 /nfs/dbraw/zinc/18/83/11/1223188311.db2.gz FQDOKJUKINQRHE-LJQANCHMSA-N 2 0 366.550 0.927 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC001161198514 1223189093 /nfs/dbraw/zinc/18/90/93/1223189093.db2.gz VPKDXHGPDYPDCU-KBXCAEBGSA-N 2 0 374.526 0.650 20 0 FCADRP C[C@H]1CC[NH2+][C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197024 1223189402 /nfs/dbraw/zinc/18/94/02/1223189402.db2.gz WIQRBBSBJMZALR-HKUYNNGSSA-N 2 0 366.550 0.925 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])Cc1cn(COCc2ccccc2)cn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219638 1223189726 /nfs/dbraw/zinc/18/97/26/1223189726.db2.gz SDOOLWPGCKBCFE-ZSYWTGECSA-N 2 0 369.469 0.603 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161209919 1223189963 /nfs/dbraw/zinc/18/99/63/1223189963.db2.gz FBQQUGRGNRLXBG-IBGZPJMESA-N 2 0 372.513 0.911 20 0 FCADRP Cc1cc(F)cc(CN(C(=O)/C=C/C(=O)NCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001161280020 1223193394 /nfs/dbraw/zinc/19/33/94/1223193394.db2.gz PALNGLUBGHLWIZ-NSCUHMNNSA-N 2 0 362.449 0.846 20 0 FCADRP CCn1c2ccccc2nc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161297205 1223194081 /nfs/dbraw/zinc/19/40/81/1223194081.db2.gz SWMKQSQRMXXHCX-HNNXBMFYSA-N 2 0 368.485 0.514 20 0 FCADRP COc1ccc(C(=O)N2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2)cc1 ZINC001161304053 1223195021 /nfs/dbraw/zinc/19/50/21/1223195021.db2.gz TZFYWNRWFUKWGN-INIZCTEOSA-N 2 0 362.474 0.826 20 0 FCADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC001161305900 1223195339 /nfs/dbraw/zinc/19/53/39/1223195339.db2.gz CFJBQFBGQJJXDZ-HOTGVXAUSA-N 2 0 361.490 0.917 20 0 FCADRP CC(C)N(C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC001161354188 1223196549 /nfs/dbraw/zinc/19/65/49/1223196549.db2.gz IWJNSVCNVGIJFK-XJKSGUPXSA-N 2 0 358.446 0.603 20 0 FCADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378741 1223197255 /nfs/dbraw/zinc/19/72/55/1223197255.db2.gz MINCSDMAGZSBJA-OALUTQOASA-N 2 0 360.502 0.945 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380789 1223197789 /nfs/dbraw/zinc/19/77/89/1223197789.db2.gz VNRYHWDNAKWISX-IAGOWNOFSA-N 2 0 366.506 0.271 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430975 1223199088 /nfs/dbraw/zinc/19/90/88/1223199088.db2.gz SHNRHSDQLRYNQD-IBGZPJMESA-N 3 0 359.518 0.518 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CC1=O)[C@@H]1CCC[NH2+]C1 ZINC001161444068 1223199208 /nfs/dbraw/zinc/19/92/08/1223199208.db2.gz BDZHKSNXEXGQIN-RTBURBONSA-N 2 0 372.513 0.830 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161459407 1223200152 /nfs/dbraw/zinc/20/01/52/1223200152.db2.gz JLHZILAKYYEJCD-UHFFFAOYSA-N 2 0 354.458 0.731 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]1CO[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001161477395 1223200972 /nfs/dbraw/zinc/20/09/72/1223200972.db2.gz HSQNNFMSCMQZGN-SFUIVIKGSA-N 2 0 365.474 0.289 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001161480927 1223200994 /nfs/dbraw/zinc/20/09/94/1223200994.db2.gz VVBLPKKVXAERGZ-FXAWDEMLSA-N 2 0 357.454 0.628 20 0 FCADRP Cc1ccc([C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)N2CCC[NH2+]CC2)cc1 ZINC001161509192 1223202885 /nfs/dbraw/zinc/20/28/85/1223202885.db2.gz IOBXGKLWEMJDSM-QZTJIDSGSA-N 2 0 358.486 0.518 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161514727 1223203264 /nfs/dbraw/zinc/20/32/64/1223203264.db2.gz RXRWPOIYYUSVJF-KRWDZBQOSA-N 2 0 364.465 0.999 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550094 1223203853 /nfs/dbraw/zinc/20/38/53/1223203853.db2.gz CPXVXFCAVVTIJI-SJORKVTESA-N 2 0 356.470 0.512 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161547546 1223204135 /nfs/dbraw/zinc/20/41/35/1223204135.db2.gz LICOIJBERLOJSC-DLBZAZTESA-N 2 0 357.454 0.872 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161579348 1223204677 /nfs/dbraw/zinc/20/46/77/1223204677.db2.gz CKKVWXYQMIJPKJ-INIZCTEOSA-N 2 0 359.474 0.426 20 0 FCADRP CCOC(=O)C1(C(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)C[NH2+]C1 ZINC001161582334 1223204831 /nfs/dbraw/zinc/20/48/31/1223204831.db2.gz LWBJMKBUQCXWBH-UHFFFAOYSA-N 2 0 357.454 0.803 20 0 FCADRP COC(=O)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC001161565512 1223204861 /nfs/dbraw/zinc/20/48/61/1223204861.db2.gz YFTBSQUCLFBZDS-NHAYFPRASA-N 2 0 357.454 0.948 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584926 1223204878 /nfs/dbraw/zinc/20/48/78/1223204878.db2.gz UETPPYHTIKHEED-YJBOKZPZSA-N 2 0 370.497 0.988 20 0 FCADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582750 1223204908 /nfs/dbraw/zinc/20/49/08/1223204908.db2.gz PPELHPOZQUEDIK-QGZVFWFLSA-N 2 0 354.454 0.128 20 0 FCADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972636 1223222517 /nfs/dbraw/zinc/22/25/17/1223222517.db2.gz JAJXVLWUKUVDKP-UHFFFAOYSA-N 2 0 371.493 0.657 20 0 FCADRP O=C(NC1CC[NH2+]CC1)c1ccccc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162980317 1223223386 /nfs/dbraw/zinc/22/33/86/1223223386.db2.gz YRKLHZVXYVZVQA-UHFFFAOYSA-N 2 0 369.473 0.865 20 0 FCADRP O=C1N[C@@H](c2ccc(NCc3nnc4n3CCC[NH2+]C4)cc2)CC12C[NH2+]C2 ZINC001163017538 1223224174 /nfs/dbraw/zinc/22/41/74/1223224174.db2.gz JLDVZTDMHOCQNE-OAHLLOKOSA-N 2 0 367.457 0.534 20 0 FCADRP COC(=O)c1ccc([C@@H]([NH3+])CNc2ccc(N3CC[NH2+]CC3)nn2)cc1 ZINC001163462869 1223230872 /nfs/dbraw/zinc/23/08/72/1223230872.db2.gz WRQPDVUIXFLYEA-HNNXBMFYSA-N 2 0 356.430 0.785 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2cc(C3C[NH2+]C3)ncn2)nc1 ZINC001165802679 1223257469 /nfs/dbraw/zinc/25/74/69/1223257469.db2.gz OTMGELUMLZSXHP-JLJPHGGASA-N 2 0 367.457 0.716 20 0 FCADRP COC(=O)C1(Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)CC[NH2+]CC1 ZINC001166968755 1223290433 /nfs/dbraw/zinc/29/04/33/1223290433.db2.gz SAUQSUDRVRAVGW-AWEZNQCLSA-N 2 0 359.430 0.702 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205211225 1223316844 /nfs/dbraw/zinc/31/68/44/1223316844.db2.gz BDVNWTNELWMHQC-IPMKNSEASA-N 2 0 361.486 0.394 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CC1 ZINC001205322145 1223320119 /nfs/dbraw/zinc/32/01/19/1223320119.db2.gz QKEBXCLSZTWFBZ-AEFFLSMTSA-N 2 0 366.506 0.047 20 0 FCADRP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205507674 1223329180 /nfs/dbraw/zinc/32/91/80/1223329180.db2.gz GXPMVSXHFOFIRY-OWCLPIDISA-N 2 0 366.506 0.141 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc[nH]c1=O)CC2 ZINC001207002124 1223403651 /nfs/dbraw/zinc/40/36/51/1223403651.db2.gz DBLAZQHNAONCGQ-UHFFFAOYSA-N 2 0 361.490 0.457 20 0 FCADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(CC3CC[NH+](C)CC3)C2)CC1 ZINC001207396954 1223443473 /nfs/dbraw/zinc/44/34/73/1223443473.db2.gz AXPAOPCSPRMRRN-IBGZPJMESA-N 2 0 360.550 0.904 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001207435845 1223446818 /nfs/dbraw/zinc/44/68/18/1223446818.db2.gz XQOHJEDVWVNRMT-JQHSSLGASA-N 2 0 359.474 0.685 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207602353 1223460655 /nfs/dbraw/zinc/46/06/55/1223460655.db2.gz QJGMNGBSDIUAQH-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP COc1ncc(CN2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1F ZINC001276549834 1223493741 /nfs/dbraw/zinc/49/37/41/1223493741.db2.gz HCVMUVAKVHQNFV-GOSISDBHSA-N 2 0 366.437 0.594 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001208073057 1223513268 /nfs/dbraw/zinc/51/32/68/1223513268.db2.gz AVPBIURYBRDSNW-QLFBSQMISA-N 2 0 363.462 0.924 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676318 1223569757 /nfs/dbraw/zinc/56/97/57/1223569757.db2.gz MMJANSNHUKBEOL-NXHRZFHOSA-N 2 0 360.502 0.861 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150201 1223601202 /nfs/dbraw/zinc/60/12/02/1223601202.db2.gz OAPGVVZBMMEIEG-BPQIPLTHSA-N 2 0 371.522 0.179 20 0 FCADRP CCCCN1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630453 1223609244 /nfs/dbraw/zinc/60/92/44/1223609244.db2.gz XRKGDKAYBVGWGN-HXUWFJFHSA-N 2 0 366.550 0.975 20 0 FCADRP CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276630233 1223609611 /nfs/dbraw/zinc/60/96/11/1223609611.db2.gz NNAYJEZVNPPANY-FUHWJXTLSA-N 2 0 364.534 0.820 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209341333 1223612561 /nfs/dbraw/zinc/61/25/61/1223612561.db2.gz MIVINRKLGSGKOP-AWEZNQCLSA-N 2 0 362.474 0.201 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001209643263 1223636598 /nfs/dbraw/zinc/63/65/98/1223636598.db2.gz WWQRNJZMFBORJE-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297441 1223681637 /nfs/dbraw/zinc/68/16/37/1223681637.db2.gz FYEIFNOCPLDTBZ-ZTFGCOKTSA-N 2 0 367.465 0.874 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213191458 1223765270 /nfs/dbraw/zinc/76/52/70/1223765270.db2.gz AUFFHAQPSIHHGZ-CBYDULDESA-N 2 0 367.490 0.090 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213111 1223769719 /nfs/dbraw/zinc/76/97/19/1223769719.db2.gz GACIEIXSJYUNCZ-IAGOWNOFSA-N 2 0 371.522 0.323 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342453 1223788897 /nfs/dbraw/zinc/78/88/97/1223788897.db2.gz YCUGRNQBDOOCEC-KZNAEPCWSA-N 2 0 361.486 0.877 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342374 1223788974 /nfs/dbraw/zinc/78/89/74/1223788974.db2.gz UJUFPJBQDHRIFO-BRWVUGGUSA-N 2 0 371.522 0.177 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555432 1223812975 /nfs/dbraw/zinc/81/29/75/1223812975.db2.gz LSGGMTDLTCGELP-IAGOWNOFSA-N 2 0 367.494 0.300 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755448 1223844979 /nfs/dbraw/zinc/84/49/79/1223844979.db2.gz AMAXHIGOTXMLIA-GVDBMIGSSA-N 2 0 370.538 0.694 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213864025 1223863735 /nfs/dbraw/zinc/86/37/35/1223863735.db2.gz YAZZRQFDRZKJFE-CGTJXYLNSA-N 2 0 369.506 0.339 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCC(=O)OC(C)(C)C)C2 ZINC001276709116 1223894037 /nfs/dbraw/zinc/89/40/37/1223894037.db2.gz QPATZABZPVDOJS-LJQANCHMSA-N 2 0 369.506 0.831 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335895 1223902304 /nfs/dbraw/zinc/90/23/04/1223902304.db2.gz LZJXLGYFIVUELY-ZACQAIPSSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214661987 1223930282 /nfs/dbraw/zinc/93/02/82/1223930282.db2.gz OCUHOASUDLSHID-MUIFIZLQSA-N 2 0 362.474 0.673 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001214665844 1223930705 /nfs/dbraw/zinc/93/07/05/1223930705.db2.gz KXOCCWSAHWJHBN-YYIAUSFCSA-N 2 0 367.538 0.861 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001214845430 1223947528 /nfs/dbraw/zinc/94/75/28/1223947528.db2.gz UGQJGLQLVDCRGV-KBAYOESNSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CCOCCO ZINC001214849671 1223947821 /nfs/dbraw/zinc/94/78/21/1223947821.db2.gz ASYZMMISTYYMSF-KBAYOESNSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214850623 1223948146 /nfs/dbraw/zinc/94/81/46/1223948146.db2.gz ZAFOOVPYQBARHR-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214860954 1223948879 /nfs/dbraw/zinc/94/88/79/1223948879.db2.gz CBUHVWRPOUSAOR-UKRRQHHQSA-N 2 0 360.462 0.336 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214860948 1223949229 /nfs/dbraw/zinc/94/92/29/1223949229.db2.gz BXNPCJKUJSRGCK-UKRRQHHQSA-N 2 0 367.494 0.143 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000978174608 1248715122 /nfs/dbraw/zinc/71/51/22/1248715122.db2.gz GHLMWGLZAPRMKI-SMLCLMEVSA-N 2 0 363.506 0.036 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215066834 1223970086 /nfs/dbraw/zinc/97/00/86/1223970086.db2.gz FJNKYSYGTRUSAF-CXAGYDPISA-N 2 0 355.442 0.911 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215121654 1223975292 /nfs/dbraw/zinc/97/52/92/1223975292.db2.gz BVLKFKVIAJKADM-CZUORRHYSA-N 2 0 356.430 0.454 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1C ZINC001215162118 1223979170 /nfs/dbraw/zinc/97/91/70/1223979170.db2.gz KMXVJWBNXGJWQK-GDBMZVCRSA-N 2 0 361.490 0.725 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001215199725 1223981810 /nfs/dbraw/zinc/98/18/10/1223981810.db2.gz BGDRRWCBFJHUJE-IXDOHACOSA-N 2 0 364.490 0.985 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215225979 1223983594 /nfs/dbraw/zinc/98/35/94/1223983594.db2.gz AXZGDFGKOKKPDI-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215397100 1223996341 /nfs/dbraw/zinc/99/63/41/1223996341.db2.gz SUMLYTAQPOBLMN-CBBWQLFWSA-N 2 0 363.462 0.780 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001215423687 1223998809 /nfs/dbraw/zinc/99/88/09/1223998809.db2.gz RKGPKGFTPGFJBK-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC001215423883 1223999120 /nfs/dbraw/zinc/99/91/20/1223999120.db2.gz WAJGIUUOKGDHOF-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC001215462945 1224000359 /nfs/dbraw/zinc/00/03/59/1224000359.db2.gz CRUUNJUCMXLBAY-SJLPKXTDSA-N 2 0 360.502 0.734 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215557934 1224006090 /nfs/dbraw/zinc/00/60/90/1224006090.db2.gz FLTNJAXDUOIPKY-BRWVUGGUSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001215571189 1224006409 /nfs/dbraw/zinc/00/64/09/1224006409.db2.gz DBDOJRIQLVORAC-VQIMIIECSA-N 2 0 370.501 0.926 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1)[NH+]1CCCC1 ZINC001215598569 1224008101 /nfs/dbraw/zinc/00/81/01/1224008101.db2.gz DJILKQOCPSNORV-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598738 1224008716 /nfs/dbraw/zinc/00/87/16/1224008716.db2.gz HOXMVKTUZLRBJR-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001216382823 1224047492 /nfs/dbraw/zinc/04/74/92/1224047492.db2.gz DJHDUNPQWMASEE-HLLBOEOZSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216828618 1224076046 /nfs/dbraw/zinc/07/60/46/1224076046.db2.gz JNEPJVKVZPFUKE-FGTMMUONSA-N 2 0 363.506 0.557 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216851945 1224078892 /nfs/dbraw/zinc/07/88/92/1224078892.db2.gz LSERFYPKDIQZOI-RBSFLKMASA-N 2 0 362.478 0.580 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216854078 1224079359 /nfs/dbraw/zinc/07/93/59/1224079359.db2.gz SEKOKVAZIAVJMJ-RBSFLKMASA-N 2 0 369.510 0.386 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994033457 1250158508 /nfs/dbraw/zinc/15/85/08/1250158508.db2.gz PXHPWASDRCLNLE-BPQIPLTHSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994034490 1250159431 /nfs/dbraw/zinc/15/94/31/1250159431.db2.gz VFAIDAPVEUSKPH-KZNAEPCWSA-N 2 0 364.534 0.881 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848614827 1245375689 /nfs/dbraw/zinc/37/56/89/1245375689.db2.gz YGWNHYIWPILXFR-QZTJIDSGSA-N 2 0 358.486 0.937 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1OC ZINC000849106472 1245392568 /nfs/dbraw/zinc/39/25/68/1245392568.db2.gz QUOPYFAMQSOAHU-MRXNPFEDSA-N 2 0 361.490 0.952 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891535397 1245453155 /nfs/dbraw/zinc/45/31/55/1245453155.db2.gz LDBJTCSTXHSKEZ-ACHSLPGTSA-N 2 0 365.522 0.759 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517284 1245505129 /nfs/dbraw/zinc/50/51/29/1245505129.db2.gz RERFJPDKIGDZEA-ZTFGCOKTSA-N 2 0 358.486 0.918 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911518393 1245506365 /nfs/dbraw/zinc/50/63/65/1245506365.db2.gz VDLDDECUQVOOLI-QZTJIDSGSA-N 2 0 374.485 0.033 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911561053 1245515091 /nfs/dbraw/zinc/51/50/91/1245515091.db2.gz GBUURHJUINOITC-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000915765947 1245529115 /nfs/dbraw/zinc/52/91/15/1245529115.db2.gz YVCOLIJYCCSTKF-MRXNPFEDSA-N 2 0 373.501 0.977 20 0 FCADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280668 1245705599 /nfs/dbraw/zinc/70/55/99/1245705599.db2.gz CEDTVCWKJCSNCP-ZWKOTPCHSA-N 2 0 361.486 0.879 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400077 1245714794 /nfs/dbraw/zinc/71/47/94/1245714794.db2.gz WKHIJNTYKAUGGF-HOTGVXAUSA-N 3 0 360.506 0.377 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939885155 1246183469 /nfs/dbraw/zinc/18/34/69/1246183469.db2.gz ZNYCCVHVGKCVBM-MWQQHZPXSA-N 2 0 373.501 0.829 20 0 FCADRP O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)C12CCC[NH+]1CCC2 ZINC000941644875 1246745419 /nfs/dbraw/zinc/74/54/19/1246745419.db2.gz BQQAJEWTWBEKDJ-RBSFLKMASA-N 2 0 357.458 0.859 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941785317 1246826004 /nfs/dbraw/zinc/82/60/04/1246826004.db2.gz DJNPRKDQSWIUGA-GVDBMIGSSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549079 1247122707 /nfs/dbraw/zinc/12/27/07/1247122707.db2.gz FGGBCCVKMVUNDY-BRWVUGGUSA-N 2 0 368.522 0.256 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)CC[N@@H+]1C ZINC000944616439 1247580835 /nfs/dbraw/zinc/58/08/35/1247580835.db2.gz ODLXXLUQJXGVDM-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)CC2)CC[N@@H+]1C ZINC000944948137 1247688406 /nfs/dbraw/zinc/68/84/06/1247688406.db2.gz SOMXEFPEDUAPPQ-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000946770228 1248001708 /nfs/dbraw/zinc/00/17/08/1248001708.db2.gz KSEVIXLKEUWJCI-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC000946907830 1248069581 /nfs/dbraw/zinc/06/95/81/1248069581.db2.gz PEVXULFMRULULZ-OLMNPRSZSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000976602260 1248281848 /nfs/dbraw/zinc/28/18/48/1248281848.db2.gz PRJODLPJFLWJQG-YKPDLDGBSA-N 2 0 362.518 0.632 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976656625 1248327632 /nfs/dbraw/zinc/32/76/32/1248327632.db2.gz CNEIPWQYIPWXDA-ZXLDYLNASA-N 2 0 362.518 0.774 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC000977197475 1248566860 /nfs/dbraw/zinc/56/68/60/1248566860.db2.gz SNICIBHLEGKKMT-ACZMQLADSA-N 2 0 371.485 0.581 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997869757 1251730127 /nfs/dbraw/zinc/73/01/27/1251730127.db2.gz AFSYYBHHWKPLJD-RANZSIQMSA-N 2 0 362.518 0.918 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001328805111 1265617794 /nfs/dbraw/zinc/61/77/94/1265617794.db2.gz ADTGDBHEFXSNNS-KXBFYZLASA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@@H+]1C ZINC001002245691 1252487491 /nfs/dbraw/zinc/48/74/91/1252487491.db2.gz HZXMQKLXNGKIPY-CXAGYDPISA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC[N@@H+]1C ZINC001004400261 1253313494 /nfs/dbraw/zinc/31/34/94/1253313494.db2.gz RQCLOIPQZAAQNQ-HHARLNAUSA-N 2 0 360.502 0.671 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001026496154 1253846824 /nfs/dbraw/zinc/84/68/24/1253846824.db2.gz NZGQUDYYZKAFTQ-RDHHWEPZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001519813202 1265777435 /nfs/dbraw/zinc/77/74/35/1265777435.db2.gz ZIQCCQQSVXQSTI-CRAIPNDOSA-N 2 0 372.517 0.939 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842712 1265783176 /nfs/dbraw/zinc/78/31/76/1265783176.db2.gz ZESDSLCMKSESGG-HNAYVOBHSA-N 2 0 358.486 0.970 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001034649689 1253997623 /nfs/dbraw/zinc/99/76/23/1253997623.db2.gz PHUIAPUQIYWBNN-UVPYHEFZSA-N 2 0 364.490 0.539 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1 ZINC001034648218 1253997758 /nfs/dbraw/zinc/99/77/58/1253997758.db2.gz AUPXRSQQLQHMON-KONPQCLYSA-N 2 0 366.506 0.236 20 0 FCADRP CCCn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647647 1253998180 /nfs/dbraw/zinc/99/81/80/1253998180.db2.gz OKCNSAPBAAWGJA-KLHDSHLOSA-N 2 0 363.510 0.940 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001329678462 1265810582 /nfs/dbraw/zinc/81/05/82/1265810582.db2.gz GYTJSRMIYHKBHQ-BSWAZPDLSA-N 2 0 366.506 0.317 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001061621414 1254194389 /nfs/dbraw/zinc/19/43/89/1254194389.db2.gz VJFFWVHEIICRRO-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC2)CC[N@@H+]1C ZINC001063152964 1254306574 /nfs/dbraw/zinc/30/65/74/1254306574.db2.gz RFOMHTZZGQKLMJ-OIISXLGYSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001065205300 1254487075 /nfs/dbraw/zinc/48/70/75/1254487075.db2.gz BSHRGFHJQQWIKV-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001520257757 1265891172 /nfs/dbraw/zinc/89/11/72/1265891172.db2.gz AAXCRMIPABIUJE-ZBFHGGJFSA-N 2 0 363.510 0.906 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001329936482 1265900402 /nfs/dbraw/zinc/90/04/02/1265900402.db2.gz FUMFJJMCIKUHBS-CVEARBPZSA-N 2 0 362.478 0.387 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077778444 1254981584 /nfs/dbraw/zinc/98/15/84/1254981584.db2.gz JZIPTJFWXWBFSV-QZTJIDSGSA-N 2 0 363.506 0.339 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838577 1255039298 /nfs/dbraw/zinc/03/92/98/1255039298.db2.gz CMRYCZMKWUVRSR-RTBURBONSA-N 2 0 371.485 0.499 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011797 1255167476 /nfs/dbraw/zinc/16/74/76/1255167476.db2.gz IGMXXHQGSLCUQB-RTBURBONSA-N 2 0 371.481 0.516 20 0 FCADRP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174207 1255287811 /nfs/dbraw/zinc/28/78/11/1255287811.db2.gz DSOFUXMKCFZHCE-RCCFBDPRSA-N 2 0 361.486 0.741 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175838 1255289693 /nfs/dbraw/zinc/28/96/93/1255289693.db2.gz OVMNTWAILYCWQK-QXAKKESOSA-N 2 0 369.469 0.485 20 0 FCADRP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405380 1255409273 /nfs/dbraw/zinc/40/92/73/1255409273.db2.gz LXABYWJZTYPHET-ZTFGCOKTSA-N 2 0 361.490 0.832 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079162381 1255462656 /nfs/dbraw/zinc/46/26/56/1255462656.db2.gz JAZVFHKZDUYFHY-HYVNUMGLSA-N 2 0 362.449 0.537 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001079186438 1255468664 /nfs/dbraw/zinc/46/86/64/1255468664.db2.gz LDPLGXBHKSLFPG-JKSUJKDBSA-N 2 0 362.449 0.679 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001079187433 1255468704 /nfs/dbraw/zinc/46/87/04/1255468704.db2.gz GBQMTZKOVOPJDI-LZLYRXPVSA-N 2 0 362.449 0.535 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001079187781 1255469062 /nfs/dbraw/zinc/46/90/62/1255469062.db2.gz YJARJQAFPQNYHQ-DLBZAZTESA-N 2 0 362.449 0.679 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079240764 1255483448 /nfs/dbraw/zinc/48/34/48/1255483448.db2.gz BRWDLKDLACCUIE-RCCFBDPRSA-N 2 0 365.518 0.791 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245593 1255485989 /nfs/dbraw/zinc/48/59/89/1255485989.db2.gz BDNODXNIZWUUNC-BPQIPLTHSA-N 2 0 365.518 0.791 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079260056 1255492436 /nfs/dbraw/zinc/49/24/36/1255492436.db2.gz YUELIKDEPCJVEV-DLBZAZTESA-N 2 0 365.518 0.650 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270501 1255496555 /nfs/dbraw/zinc/49/65/55/1255496555.db2.gz VTQVUFVAYJTRBZ-FGTMMUONSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079310672 1255506303 /nfs/dbraw/zinc/50/63/03/1255506303.db2.gz CRFBXGPMLIQYCX-UKPHBRMFSA-N 2 0 362.449 0.537 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080021607 1255712174 /nfs/dbraw/zinc/71/21/74/1255712174.db2.gz IKWICFFWTMKHOQ-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559155 1255929105 /nfs/dbraw/zinc/92/91/05/1255929105.db2.gz XRVMPUWHNFCAAW-GDBMZVCRSA-N 2 0 364.490 0.304 20 0 FCADRP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081681746 1256333437 /nfs/dbraw/zinc/33/34/37/1256333437.db2.gz APMOMZMDCBHRKJ-TVFCKZIOSA-N 2 0 371.497 0.908 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001081932769 1256458802 /nfs/dbraw/zinc/45/88/02/1256458802.db2.gz XOGPLURWDNKPJZ-ZTFGCOKTSA-N 2 0 371.441 0.733 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096048 1256533196 /nfs/dbraw/zinc/53/31/96/1256533196.db2.gz WCAJQNVCZXNGIV-DJIMGWMZSA-N 2 0 366.506 0.060 20 0 FCADRP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326828 1256669010 /nfs/dbraw/zinc/66/90/10/1256669010.db2.gz RONOUARLCIYRQL-ARFHVFGLSA-N 2 0 365.478 0.468 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328606 1256670721 /nfs/dbraw/zinc/67/07/21/1256670721.db2.gz BQURODAOGXVSHE-IAGOWNOFSA-N 2 0 361.490 0.411 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC001330563471 1266059764 /nfs/dbraw/zinc/05/97/64/1266059764.db2.gz LUUGUVPSSWMFCJ-UHFFFAOYSA-N 2 0 371.485 0.467 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001082517829 1256801698 /nfs/dbraw/zinc/80/16/98/1256801698.db2.gz ISSXSRHWSOKJSV-CZUORRHYSA-N 2 0 360.462 0.991 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082570888 1256877957 /nfs/dbraw/zinc/87/79/57/1256877957.db2.gz DZBJWBVHTRNSCL-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082570887 1256878167 /nfs/dbraw/zinc/87/81/67/1256878167.db2.gz DZBJWBVHTRNSCL-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653263 1256957184 /nfs/dbraw/zinc/95/71/84/1256957184.db2.gz CNDDJEUJGDYKRV-JISMVTRBSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082663642 1256966093 /nfs/dbraw/zinc/96/60/93/1256966093.db2.gz ZCRMWNMUZJPNAV-OIISXLGYSA-N 2 0 363.506 0.323 20 0 FCADRP O=C1NCCC12CC[NH+](CCCC[NH+]1CCC3(CCNC3=O)CC1)CC2 ZINC001330729914 1266084185 /nfs/dbraw/zinc/08/41/85/1266084185.db2.gz AADIKXWFLGFROX-UHFFFAOYSA-N 2 0 362.518 0.971 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082783439 1257048061 /nfs/dbraw/zinc/04/80/61/1257048061.db2.gz YOELLKXUDLFEKG-BRWVUGGUSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082798129 1257056898 /nfs/dbraw/zinc/05/68/98/1257056898.db2.gz CBMGVXVIUJWKDN-NVXWUHKLSA-N 2 0 359.478 0.392 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC001082828787 1257086340 /nfs/dbraw/zinc/08/63/40/1257086340.db2.gz IFHRBTRDZQCOJB-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001082835184 1257091712 /nfs/dbraw/zinc/09/17/12/1257091712.db2.gz LPAISUBFOWKXAO-UKRRQHHQSA-N 2 0 364.494 0.165 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001082923501 1257148297 /nfs/dbraw/zinc/14/82/97/1257148297.db2.gz MOBFCEVLFOVRPY-IIDMSEBBSA-N 2 0 361.490 0.690 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082943690 1257160836 /nfs/dbraw/zinc/16/08/36/1257160836.db2.gz XHJLZSMAIHYDFW-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP CC(=O)N(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001330776727 1266096627 /nfs/dbraw/zinc/09/66/27/1266096627.db2.gz GSPGLVNQJZWPJL-UHFFFAOYSA-N 2 0 372.469 0.764 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085108 1257286932 /nfs/dbraw/zinc/28/69/32/1257286932.db2.gz ZYBKZDHPZBJDNI-BHYGNILZSA-N 2 0 365.478 0.005 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085093 1257287146 /nfs/dbraw/zinc/28/71/46/1257287146.db2.gz ZMMBWZOSNNZERZ-BHYGNILZSA-N 2 0 367.469 0.718 20 0 FCADRP [NH3+]CCN(CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)Cc1ccccc1 ZINC001330890010 1266112235 /nfs/dbraw/zinc/11/22/35/1266112235.db2.gz GTLHZJBWVNOVPJ-UHFFFAOYSA-N 2 0 369.473 0.286 20 0 FCADRP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470234 1257461489 /nfs/dbraw/zinc/46/14/89/1257461489.db2.gz GRWPOYNTESEWPI-IPELMVKDSA-N 2 0 371.485 0.981 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)C[NH+]1CCN(C)CC1 ZINC001521503675 1266128797 /nfs/dbraw/zinc/12/87/97/1266128797.db2.gz JZIQDDPAQKNQHL-TVFCKZIOSA-N 2 0 352.523 0.533 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084609004 1258195835 /nfs/dbraw/zinc/19/58/35/1258195835.db2.gz RNIHRKJVOIHDIB-MWDXBVQZSA-N 2 0 363.506 0.275 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331197337 1266168538 /nfs/dbraw/zinc/16/85/38/1266168538.db2.gz QDUPZEAEDPBBKY-OKZBNKHCSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)CN1Cc1ccccc1 ZINC001331197303 1266168576 /nfs/dbraw/zinc/16/85/76/1266168576.db2.gz PLRQVAVGFJXYJO-JOCBIADPSA-N 2 0 358.486 0.961 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001331218904 1266174519 /nfs/dbraw/zinc/17/45/19/1266174519.db2.gz BWFHGISVELPKLJ-IYARVYRRSA-N 2 0 358.486 0.883 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830032 1258375307 /nfs/dbraw/zinc/37/53/07/1258375307.db2.gz HYXMHGQOBYIXKF-FGTMMUONSA-N 2 0 356.470 0.770 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCn4cncn4)[C@H]3C2)C1 ZINC001085033744 1258537097 /nfs/dbraw/zinc/53/70/97/1258537097.db2.gz YFIKYUJWDRIRRF-SJORKVTESA-N 2 0 360.506 0.933 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093599 1258588245 /nfs/dbraw/zinc/58/82/45/1258588245.db2.gz MVCXBLQVMMMYAO-ZACQAIPSSA-N 2 0 358.490 0.784 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001521859263 1266195146 /nfs/dbraw/zinc/19/51/46/1266195146.db2.gz VYVRCAHYCYGEEK-MRXNPFEDSA-N 2 0 353.511 0.762 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001085203098 1258629697 /nfs/dbraw/zinc/62/96/97/1258629697.db2.gz OSKCDIUIRWAQKL-RBSFLKMASA-N 2 0 364.494 0.339 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC001331392766 1266206321 /nfs/dbraw/zinc/20/63/21/1266206321.db2.gz IWWJVGBGLBVHAI-GOSISDBHSA-N 2 0 361.490 0.646 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199893 1258721933 /nfs/dbraw/zinc/72/19/33/1258721933.db2.gz HEFZMDNHNVKVBY-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201027 1258723365 /nfs/dbraw/zinc/72/33/65/1258723365.db2.gz HONNJYNIPUSMKT-MSOLQXFVSA-N 2 0 360.506 0.771 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088201173 1258723721 /nfs/dbraw/zinc/72/37/21/1258723721.db2.gz OVKRHLPNLNCCAD-IXDOHACOSA-N 2 0 358.490 0.642 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734871 1258824616 /nfs/dbraw/zinc/82/46/16/1258824616.db2.gz LHRXVHDALGBFPF-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633802 1258930274 /nfs/dbraw/zinc/93/02/74/1258930274.db2.gz VEZJLEPMIAGGDU-BRWVUGGUSA-N 2 0 369.554 0.964 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001106627128 1258931002 /nfs/dbraw/zinc/93/10/02/1258931002.db2.gz UDKOODJYZJHTMW-RBSFLKMASA-N 2 0 362.478 0.439 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1)[NH+](C)C ZINC001106674444 1258939373 /nfs/dbraw/zinc/93/93/73/1258939373.db2.gz VKGCIICHEVJCBO-INMHGKMJSA-N 2 0 364.490 0.920 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106775440 1258960891 /nfs/dbraw/zinc/96/08/91/1258960891.db2.gz FRUQVTOLNNXRIQ-HUUCEWRRSA-N 2 0 369.510 0.378 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106798658 1258965532 /nfs/dbraw/zinc/96/55/32/1258965532.db2.gz PDRUQEIPSXGUBO-SJLPKXTDSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106811196 1258967922 /nfs/dbraw/zinc/96/79/22/1258967922.db2.gz VJVBNJYDKKEQHY-HZPDHXFCSA-N 2 0 364.494 0.073 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001106874283 1258985037 /nfs/dbraw/zinc/98/50/37/1258985037.db2.gz AYWITTXUALALBG-FHLIZLRMSA-N 2 0 362.522 0.921 20 0 FCADRP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001106877885 1258986792 /nfs/dbraw/zinc/98/67/92/1258986792.db2.gz BVOVFSFLBNVVDO-HZPDHXFCSA-N 2 0 366.510 0.621 20 0 FCADRP CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882051 1258987184 /nfs/dbraw/zinc/98/71/84/1258987184.db2.gz OPKQGQPLDDMAFB-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884537 1258987405 /nfs/dbraw/zinc/98/74/05/1258987405.db2.gz JSZFWZDDDLPVCR-HZPDHXFCSA-N 2 0 365.522 0.474 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106884279 1258987553 /nfs/dbraw/zinc/98/75/53/1258987553.db2.gz BTTPZAJZCZTMCJ-HUUCEWRRSA-N 2 0 357.462 0.737 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)on1 ZINC001106983108 1259010935 /nfs/dbraw/zinc/01/09/35/1259010935.db2.gz UOIVLVXPYVUESI-BPLDGKMQSA-N 2 0 363.462 0.557 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001107037242 1259022738 /nfs/dbraw/zinc/02/27/38/1259022738.db2.gz YNIOBWBEWULVBF-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409501 1259079722 /nfs/dbraw/zinc/07/97/22/1259079722.db2.gz VMLPMDIHSLIVPD-SQGPQFPESA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107547000 1259112633 /nfs/dbraw/zinc/11/26/33/1259112633.db2.gz XIZZIVLEHXGTFH-HBUWYVDXSA-N 2 0 365.478 0.026 20 0 FCADRP C[C@H](COCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107552061 1259114125 /nfs/dbraw/zinc/11/41/25/1259114125.db2.gz BYNURCQVWGQKDQ-GPMSIDNRSA-N 2 0 366.506 0.333 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608167 1259132627 /nfs/dbraw/zinc/13/26/27/1259132627.db2.gz CXKDNEYEALGSAD-VQIMIIECSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107609607 1259134078 /nfs/dbraw/zinc/13/40/78/1259134078.db2.gz YNVCMLWVSVISOE-SQGPQFPESA-N 2 0 362.518 0.921 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543754 1259166046 /nfs/dbraw/zinc/16/60/46/1259166046.db2.gz UHYVFUGWDXRFKH-HKUYNNGSSA-N 2 0 363.506 0.923 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2ccccc2F)CC[N@@H+]1C ZINC001127705417 1259184586 /nfs/dbraw/zinc/18/45/86/1259184586.db2.gz CXTFMDZAKYVOHC-DOTOQJQBSA-N 2 0 364.465 0.878 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127695080 1259185321 /nfs/dbraw/zinc/18/53/21/1259185321.db2.gz AZZBKTRJHKQOCZ-LSDHHAIUSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCCF)n3CC2)CC[N@@H+]1C ZINC001127990626 1259188746 /nfs/dbraw/zinc/18/87/46/1259188746.db2.gz GNGLPDRGGHMKRJ-QLFBSQMISA-N 2 0 366.485 0.889 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@@H]1n1ccnn1 ZINC001129032288 1259294615 /nfs/dbraw/zinc/29/46/15/1259294615.db2.gz MXKNIZITLMWFNX-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001129210683 1259345465 /nfs/dbraw/zinc/34/54/65/1259345465.db2.gz TXAUBALYSXSHNS-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129228485 1259350198 /nfs/dbraw/zinc/35/01/98/1259350198.db2.gz UWKBCXGRYDYUTB-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP COC[C@H](C)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001331639445 1266253998 /nfs/dbraw/zinc/25/39/98/1266253998.db2.gz SSTMVXLPQVXLCN-HNNXBMFYSA-N 2 0 362.474 0.247 20 0 FCADRP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249302 1259376739 /nfs/dbraw/zinc/37/67/39/1259376739.db2.gz WSMYANKLGRLUOA-ILXRZTDVSA-N 2 0 364.494 0.635 20 0 FCADRP Cc1nc(N)nc2c1nc(NC(=[NH2+])N1CC[NH+](C)CC1)c(=O)n2C(C)C ZINC001168737045 1259391000 /nfs/dbraw/zinc/39/10/00/1259391000.db2.gz NSRPIBJOXCRPMC-UHFFFAOYSA-N 2 0 359.438 0.252 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610906 1259395903 /nfs/dbraw/zinc/39/59/03/1259395903.db2.gz NYZUFENQZDTREQ-UHFFFAOYSA-N 3 0 369.554 0.306 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200554927 1259416477 /nfs/dbraw/zinc/41/64/77/1259416477.db2.gz MZYPCONTIXANBA-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001200644934 1259418821 /nfs/dbraw/zinc/41/88/21/1259418821.db2.gz UBRBDSLLEDBHKM-HLLBOEOZSA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001200652061 1259418869 /nfs/dbraw/zinc/41/88/69/1259418869.db2.gz YHKAFQBOSZKOQZ-VHDGCEQUSA-N 2 0 367.494 0.141 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408460 1259493845 /nfs/dbraw/zinc/49/38/45/1259493845.db2.gz RKBWEECETJTDHK-BRWVUGGUSA-N 2 0 371.522 0.320 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215536853 1259534495 /nfs/dbraw/zinc/53/44/95/1259534495.db2.gz WZMHBKJTVMRQRL-QLFBSQMISA-N 2 0 360.462 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215535987 1259534738 /nfs/dbraw/zinc/53/47/38/1259534738.db2.gz BQLGAYGWPLBMLP-BFYDXBDKSA-N 2 0 362.474 0.817 20 0 FCADRP O=C1CCC[C@@]2(C[NH2+]CCN(Cc3ccccc3N3CC[NH2+]CC3)C2)N1 ZINC001235185337 1259567235 /nfs/dbraw/zinc/56/72/35/1259567235.db2.gz RQFFYPVQQGWEAD-FQEVSTJZSA-N 2 0 357.502 0.540 20 0 FCADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)CC1 ZINC001235616645 1259580846 /nfs/dbraw/zinc/58/08/46/1259580846.db2.gz RKPVLHXRKDDJOI-IRXDYDNUSA-N 2 0 362.522 0.287 20 0 FCADRP CC1(N2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)CC[NH2+]CC1 ZINC001235819752 1259583028 /nfs/dbraw/zinc/58/30/28/1259583028.db2.gz HRAORJABNLKKKE-UHFFFAOYSA-N 2 0 358.534 0.751 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001236310257 1259588942 /nfs/dbraw/zinc/58/89/42/1259588942.db2.gz VYKFEAZMLHQWDP-UHFFFAOYSA-N 2 0 362.453 0.832 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnn(Cc2ccccc2)c1 ZINC001236310322 1259589346 /nfs/dbraw/zinc/58/93/46/1259589346.db2.gz WZRPJYSQIWLZQW-UHFFFAOYSA-N 2 0 358.490 0.547 20 0 FCADRP c1nc2n(c1C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CCNC2 ZINC001236400525 1259590077 /nfs/dbraw/zinc/59/00/77/1259590077.db2.gz FGJKSWJPKRCMQY-UHFFFAOYSA-N 2 0 362.522 0.120 20 0 FCADRP COc1cc(N2CC[NH2+]CC2)ccc1-c1nccnc1N1CC[NH2+]CC1 ZINC001244286301 1259639203 /nfs/dbraw/zinc/63/92/03/1259639203.db2.gz RHRPBWINNQUPLS-UHFFFAOYSA-N 2 0 354.458 0.971 20 0 FCADRP O[C@H](CNc1ccc(OCC2CC[NH2+]CC2)nc1)CC1(O)CC[NH2+]CC1 ZINC001245959330 1259641768 /nfs/dbraw/zinc/64/17/68/1259641768.db2.gz SUXLGMJNGFBZTI-KRWDZBQOSA-N 2 0 364.490 0.737 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]C2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245988191 1259643606 /nfs/dbraw/zinc/64/36/06/1259643606.db2.gz GKGPWAQTIZVJBF-IBGZPJMESA-N 2 0 363.502 0.641 20 0 FCADRP COC(=O)CC1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001246009747 1259643665 /nfs/dbraw/zinc/64/36/65/1259643665.db2.gz HAYQWIWTUJTYRD-JKSUJKDBSA-N 2 0 371.428 0.470 20 0 FCADRP O[C@@H](C[NH2+]C1(Cc2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000297 1259644551 /nfs/dbraw/zinc/64/45/51/1259644551.db2.gz YZIAYSWUYBNVTD-QGZVFWFLSA-N 3 0 365.493 0.946 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246039279 1259645396 /nfs/dbraw/zinc/64/53/96/1259645396.db2.gz YRLBAEAJPJXHMG-UTJFUGJHSA-N 2 0 373.497 0.248 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246030412 1259645989 /nfs/dbraw/zinc/64/59/89/1259645989.db2.gz YFZSOIBFOMPOKD-IPMKNSEASA-N 2 0 369.456 0.898 20 0 FCADRP [NH3+]CC1CN([C@H]2CCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049357 1259646000 /nfs/dbraw/zinc/64/60/00/1259646000.db2.gz QTKSJMPOHQAAJF-GBESFXJTSA-N 2 0 368.472 0.550 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC[NH2+]CC1 ZINC001246077109 1259648545 /nfs/dbraw/zinc/64/85/45/1259648545.db2.gz GQKNIMOBSNFOQI-CYBMUJFWSA-N 2 0 362.478 0.334 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCNC1 ZINC001246130044 1259648650 /nfs/dbraw/zinc/64/86/50/1259648650.db2.gz RJUDIMRHDKWBFK-KBPBESRZSA-N 2 0 362.478 0.334 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@@]4(C3)C[NH2+]CCOC4)C[C@H](C1)[NH2+]2 ZINC001246147309 1259648672 /nfs/dbraw/zinc/64/86/72/1259648672.db2.gz XOPQFYHVKARHLE-PHXFHCBBSA-N 3 0 367.490 0.043 20 0 FCADRP c1c2c(nn1Cc1ccccn1)[C@@H](C[NH2+][C@@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246159367 1259649943 /nfs/dbraw/zinc/64/99/43/1259649943.db2.gz WBDFNZOZYHQOMV-SJLPKXTDSA-N 2 0 368.485 0.624 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188647 1259650181 /nfs/dbraw/zinc/65/01/81/1259650181.db2.gz ZIIUPIKCZSVNOP-UONOGXRCSA-N 2 0 362.478 0.334 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246216074 1259651138 /nfs/dbraw/zinc/65/11/38/1259651138.db2.gz LNSQYIFGSGGABQ-RBUKOAKNSA-N 3 0 373.538 0.523 20 0 FCADRP CCC(CC)[C@@H]([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246415877 1259651662 /nfs/dbraw/zinc/65/16/62/1259651662.db2.gz PGQKIQJBSLPNBD-KKCYAQHRSA-N 3 0 367.534 0.876 20 0 FCADRP COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2=O)c(OC)c1 ZINC001246569676 1259657657 /nfs/dbraw/zinc/65/76/57/1259657657.db2.gz RPOPILHWPJNJDY-USXIJHARSA-N 2 0 363.458 0.589 20 0 FCADRP O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246705170 1259664391 /nfs/dbraw/zinc/66/43/91/1259664391.db2.gz XHWSWRZOFHKREN-KFAOIVLFSA-N 2 0 357.458 0.893 20 0 FCADRP O=C1CCCN1C[C@H]1Cn2ccnc2C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711750 1259666515 /nfs/dbraw/zinc/66/65/15/1259666515.db2.gz WYFGJFAWRHXFAP-HZPDHXFCSA-N 2 0 358.490 0.031 20 0 FCADRP c1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1cccnc1)C2 ZINC001246718644 1259667602 /nfs/dbraw/zinc/66/76/02/1259667602.db2.gz JMYZSSQYMHOHGD-IRXDYDNUSA-N 2 0 368.485 0.883 20 0 FCADRP Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719436 1259668501 /nfs/dbraw/zinc/66/85/01/1259668501.db2.gz GCZDXTIXXPCPSR-KXBFYZLASA-N 2 0 372.517 0.419 20 0 FCADRP Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC[NH2+]CC1)CC2 ZINC001335457631 1259669924 /nfs/dbraw/zinc/66/99/24/1259669924.db2.gz NEQZJKKAVAECKD-OIISXLGYSA-N 2 0 373.505 0.512 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246729854 1259670138 /nfs/dbraw/zinc/67/01/38/1259670138.db2.gz PWTLUTDLGKNUBY-KBPBESRZSA-N 2 0 358.490 0.420 20 0 FCADRP CN(C)C(=O)N[C@@H]1COCCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246728085 1259670170 /nfs/dbraw/zinc/67/01/70/1259670170.db2.gz FTDHMRCKDGZWGE-JKSUJKDBSA-N 2 0 365.522 0.223 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461518 1259670982 /nfs/dbraw/zinc/67/09/82/1259670982.db2.gz WKKCPGDGFOOKFI-OWCLPIDISA-N 2 0 352.479 0.308 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246728858 1259671594 /nfs/dbraw/zinc/67/15/94/1259671594.db2.gz VAKXPVYASJJJPH-VVLHAWIVSA-N 2 0 358.490 0.002 20 0 FCADRP CC(C)C(=O)N[C@@H]1COCCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246742755 1259675041 /nfs/dbraw/zinc/67/50/41/1259675041.db2.gz DOWGSACAOULYFZ-DLBZAZTESA-N 2 0 364.534 0.724 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)NC2(C3CC[NH2+]CC3)CC2)CC1 ZINC001335478734 1259678595 /nfs/dbraw/zinc/67/85/95/1259678595.db2.gz VCNROGSSHHYPHD-UHFFFAOYSA-N 2 0 351.495 0.370 20 0 FCADRP O=C1[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246755202 1259682381 /nfs/dbraw/zinc/68/23/81/1259682381.db2.gz HMXHVMGDMDEYNC-SZMVWBNQSA-N 2 0 358.461 0.810 20 0 FCADRP Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246765757 1259683883 /nfs/dbraw/zinc/68/38/83/1259683883.db2.gz KMOHJXDYBCFUOG-VCBZYWHSSA-N 2 0 362.449 0.927 20 0 FCADRP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246759397 1259684581 /nfs/dbraw/zinc/68/45/81/1259684581.db2.gz KOAPUOOTYQAWSM-YRXWBPOGSA-N 2 0 372.517 0.288 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)c1ccco1 ZINC001246766358 1259686206 /nfs/dbraw/zinc/68/62/06/1259686206.db2.gz MZGQBOXLYRMVSJ-NBOOPKSLSA-N 2 0 374.485 0.440 20 0 FCADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@@H]32)cn1 ZINC001246771737 1259686608 /nfs/dbraw/zinc/68/66/08/1259686608.db2.gz VSKMHBIMJVNLQK-QHGSJHJHSA-N 2 0 373.501 0.770 20 0 FCADRP O=C(Nc1cccnc1)c1noc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767532 1259687202 /nfs/dbraw/zinc/68/72/02/1259687202.db2.gz RMRNZJDWDGJMPK-CQSZACIVSA-N 2 0 368.441 0.774 20 0 FCADRP CCOC(=O)CN1CCC([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CC1 ZINC001246855839 1259693469 /nfs/dbraw/zinc/69/34/69/1259693469.db2.gz BXWKLACLJQADCY-DNVCBOLYSA-N 2 0 367.490 0.489 20 0 FCADRP C[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001246923218 1259694833 /nfs/dbraw/zinc/69/48/33/1259694833.db2.gz BKSPLOQHCWJHCO-PKOBYXMFSA-N 3 0 361.534 0.765 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC001335522040 1259697398 /nfs/dbraw/zinc/69/73/98/1259697398.db2.gz MYHYXNQHICJBKN-MRXNPFEDSA-N 2 0 367.538 0.470 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001335530820 1259700437 /nfs/dbraw/zinc/70/04/37/1259700437.db2.gz WQXOJKHZDHFXTE-SJLPKXTDSA-N 2 0 362.522 0.543 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@@H]4CCN5)n3)cc2)CC1 ZINC001247834055 1259705811 /nfs/dbraw/zinc/70/58/11/1259705811.db2.gz GFKMXCGDJQQKPR-KXBFYZLASA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@]45C[NH2+]C[C@H]4CCN5)n3)c2)CC1 ZINC001247834524 1259706806 /nfs/dbraw/zinc/70/68/06/1259706806.db2.gz HUWXNOMJWYOARQ-XLIONFOSSA-N 2 0 368.485 0.892 20 0 FCADRP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416474 1259786056 /nfs/dbraw/zinc/78/60/56/1259786056.db2.gz YEZBTOHGMHZCJM-DLBZAZTESA-N 2 0 363.458 0.671 20 0 FCADRP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510374 1259793959 /nfs/dbraw/zinc/79/39/59/1259793959.db2.gz LPNXSTLQLFIWOY-KZNAEPCWSA-N 2 0 371.522 0.275 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335710702 1259798407 /nfs/dbraw/zinc/79/84/07/1259798407.db2.gz CSSIUCXMNVUFNR-SYNHAJSKSA-N 2 0 374.485 0.030 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790059 1259841225 /nfs/dbraw/zinc/84/12/25/1259841225.db2.gz HIJMKARNSJAZIG-ZFWWWQNUSA-N 2 0 370.494 0.157 20 0 FCADRP C[N@H+](CCO)CCC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915136 1259864460 /nfs/dbraw/zinc/86/44/60/1259864460.db2.gz KDFMNZXZQOCSMS-IRXDYDNUSA-N 2 0 369.416 0.410 20 0 FCADRP C[N@H+](CCO)CCC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915131 1259864842 /nfs/dbraw/zinc/86/48/42/1259864842.db2.gz KDFMNZXZQOCSMS-IAGOWNOFSA-N 2 0 369.416 0.410 20 0 FCADRP COC(=O)CN1CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254038395 1259869631 /nfs/dbraw/zinc/86/96/31/1259869631.db2.gz GKQSURABEJRVGJ-UHFFFAOYSA-N 2 0 361.486 0.804 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518815 1259888485 /nfs/dbraw/zinc/88/84/85/1259888485.db2.gz PGUUJTCMHKDVIY-GOSISDBHSA-N 3 0 365.566 0.641 20 0 FCADRP Cn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523859 1259889028 /nfs/dbraw/zinc/88/90/28/1259889028.db2.gz SBRWPDMUQWIVBQ-XMTFNYHQSA-N 2 0 361.490 0.866 20 0 FCADRP CCOC(=O)N1CC[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])C1 ZINC001256022566 1259931061 /nfs/dbraw/zinc/93/10/61/1259931061.db2.gz LNGFARRCOKRQSG-CQSZACIVSA-N 2 0 369.462 0.813 20 0 FCADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC001336174622 1260025451 /nfs/dbraw/zinc/02/54/51/1260025451.db2.gz FJTAEHATQXNFEO-HOTGVXAUSA-N 2 0 368.522 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC001336174623 1260025871 /nfs/dbraw/zinc/02/58/71/1260025871.db2.gz FJTAEHATQXNFEO-HZPDHXFCSA-N 2 0 368.522 0.632 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCOCCOCCC[NH3+])C[C@H]1C(=O)OC ZINC001257718546 1260026060 /nfs/dbraw/zinc/02/60/60/1260026060.db2.gz DCVCMCIOUSPWRH-BZUAXINKSA-N 2 0 374.478 0.479 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257724692 1260026504 /nfs/dbraw/zinc/02/65/04/1260026504.db2.gz SFXYYQHERGPXIP-PCBKOEHESA-N 2 0 372.462 0.432 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336176021 1260026944 /nfs/dbraw/zinc/02/69/44/1260026944.db2.gz NZRKPNBUMARKFW-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC001261381631 1260129513 /nfs/dbraw/zinc/12/95/13/1260129513.db2.gz OUZPYZNQUUBEEB-UHFFFAOYSA-N 2 0 359.474 0.052 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001336644173 1260191112 /nfs/dbraw/zinc/19/11/12/1260191112.db2.gz GDJMWRVBDUGIPD-INIZCTEOSA-N 2 0 373.501 0.252 20 0 FCADRP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001336749645 1260213955 /nfs/dbraw/zinc/21/39/55/1260213955.db2.gz FVICAUCCLLIIRT-WMZOPIPTSA-N 2 0 351.491 0.798 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001336755360 1260214727 /nfs/dbraw/zinc/21/47/27/1260214727.db2.gz IBLBQBSXHHRMKZ-QAPCUYQASA-N 2 0 358.527 0.878 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)C1 ZINC001262035569 1260249301 /nfs/dbraw/zinc/24/93/01/1260249301.db2.gz NVDMOMHQOFYDBT-KSZLIROESA-N 2 0 373.501 0.850 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC001262063961 1260253862 /nfs/dbraw/zinc/25/38/62/1260253862.db2.gz NQZFHSKTISUGRX-MWDXBVQZSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001262066353 1260254663 /nfs/dbraw/zinc/25/46/63/1260254663.db2.gz ZBNQOLXVXJSMNZ-SFHVURJKSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262095511 1260260116 /nfs/dbraw/zinc/26/01/16/1260260116.db2.gz VQXWALIIKZNGAJ-BZSNNMDCSA-N 2 0 367.538 0.470 20 0 FCADRP CC1([NH+]2CCC2)CCC(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC001336959084 1260268181 /nfs/dbraw/zinc/26/81/81/1260268181.db2.gz QIVGOYSGYKAXPY-MDCZIUGASA-N 2 0 365.522 0.890 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001336961844 1260269851 /nfs/dbraw/zinc/26/98/51/1260269851.db2.gz UIAKTMMJOUHHIW-MRXNPFEDSA-N 2 0 366.506 0.651 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC001262569405 1260327474 /nfs/dbraw/zinc/32/74/74/1260327474.db2.gz XVBBRKUPPLUREF-CVEARBPZSA-N 2 0 374.485 0.259 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]CCN2C)c1 ZINC001263099883 1260339764 /nfs/dbraw/zinc/33/97/64/1260339764.db2.gz XLQGNAFTYRYEGW-SFHVURJKSA-N 2 0 364.490 0.163 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756768 1260355675 /nfs/dbraw/zinc/35/56/75/1260355675.db2.gz YTCPPKOSYGUIMS-KPFFTGBYSA-N 2 0 358.486 0.128 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC001337532425 1260424141 /nfs/dbraw/zinc/42/41/41/1260424141.db2.gz QLERWAKDFFWJLG-WKILWMFISA-N 2 0 362.474 0.439 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001272744463 1260496123 /nfs/dbraw/zinc/49/61/23/1260496123.db2.gz GHNHYWSHXOWPFD-IRXDYDNUSA-N 2 0 360.502 0.626 20 0 FCADRP C=C/C=C/CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001332110531 1266337574 /nfs/dbraw/zinc/33/75/74/1266337574.db2.gz VYJKZMTZAKSRTJ-ONEGZZNKSA-N 2 0 371.485 0.958 20 0 FCADRP Cc1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCN(C)CC2)n(C)n1 ZINC001272868358 1260521536 /nfs/dbraw/zinc/52/15/36/1260521536.db2.gz QGIRXGYHDQDJLQ-ROUUACIJSA-N 2 0 360.506 0.151 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)CC1 ZINC001272924799 1260531265 /nfs/dbraw/zinc/53/12/65/1260531265.db2.gz RIRKYTJPRAQSQJ-PKOBYXMFSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249682 1260635706 /nfs/dbraw/zinc/63/57/06/1260635706.db2.gz YVUMYGVVVBIGBD-UYAOXDASSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]nc4c3CCC4)C2)C1=O ZINC001277726625 1260662742 /nfs/dbraw/zinc/66/27/42/1260662742.db2.gz RKGQKMBMVGKMSA-IBGZPJMESA-N 2 0 359.474 0.801 20 0 FCADRP CCCCOC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778682 1260670031 /nfs/dbraw/zinc/67/00/31/1260670031.db2.gz RBOXWCGMTCLLIY-PKOBYXMFSA-N 2 0 371.522 0.277 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278464020 1260694592 /nfs/dbraw/zinc/69/45/92/1260694592.db2.gz QEAGZPMIIFIJSA-BRWVUGGUSA-N 2 0 367.490 0.156 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC001278464023 1260694684 /nfs/dbraw/zinc/69/46/84/1260694684.db2.gz QEAGZPMIIFIJSA-ULQDDVLXSA-N 2 0 367.490 0.156 20 0 FCADRP COC(=O)Cc1ccccc1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278624229 1260714323 /nfs/dbraw/zinc/71/43/23/1260714323.db2.gz XPIZLEKUXKQDRX-OALUTQOASA-N 2 0 361.486 0.849 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001278769112 1260728915 /nfs/dbraw/zinc/72/89/15/1260728915.db2.gz ILUBEBZRQIBGFD-OALUTQOASA-N 2 0 360.502 0.835 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001278790444 1260732156 /nfs/dbraw/zinc/73/21/56/1260732156.db2.gz JFLBCGHHJLYIGB-MOPGFXCFSA-N 2 0 360.502 0.835 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001332254011 1266367147 /nfs/dbraw/zinc/36/71/47/1266367147.db2.gz UCKYXZSCAPCTHA-ULQDDVLXSA-N 2 0 366.506 0.210 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279572809 1260895578 /nfs/dbraw/zinc/89/55/78/1260895578.db2.gz PELHBEDGJHNKQT-OKILXGFUSA-N 2 0 363.462 0.428 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCOC4)CC3)[C@@H]2C1 ZINC001279617952 1260900752 /nfs/dbraw/zinc/90/07/52/1260900752.db2.gz NKNNPMNXAICUJJ-KZNAEPCWSA-N 2 0 364.534 0.487 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O1 ZINC001279914935 1260958970 /nfs/dbraw/zinc/95/89/70/1260958970.db2.gz YPWYAJUZRZNLHM-IKGGRYGDSA-N 2 0 368.522 0.354 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001279929159 1260968739 /nfs/dbraw/zinc/96/87/39/1260968739.db2.gz MGSXELVRXFGUBI-KPZWWZAWSA-N 2 0 361.446 0.371 20 0 FCADRP Cn1nncc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280061522 1260987120 /nfs/dbraw/zinc/98/71/20/1260987120.db2.gz KYOOTKCOZYEUQV-KRWDZBQOSA-N 2 0 358.490 0.724 20 0 FCADRP Cc1cccnc1N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280101733 1261003665 /nfs/dbraw/zinc/00/36/65/1261003665.db2.gz LZOFHVIOKOXVPQ-IRXDYDNUSA-N 2 0 357.502 0.968 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4ccccn4)CC3)[C@H]2C1 ZINC001280119783 1261009252 /nfs/dbraw/zinc/00/92/52/1261009252.db2.gz IPXBTNPVQCHMQZ-GJZGRUSLSA-N 2 0 357.458 0.187 20 0 FCADRP CN(C)C(=O)CNC(=O)c1cc2c([nH]1)C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001280125752 1261010544 /nfs/dbraw/zinc/01/05/44/1261010544.db2.gz NQQYTUDNBGFDTE-UHFFFAOYSA-N 2 0 361.490 0.533 20 0 FCADRP O=C([C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)N1CC(N2CC(F)C2)C1 ZINC001280135612 1261013451 /nfs/dbraw/zinc/01/34/51/1261013451.db2.gz PESYKINKWKXNAS-GOSISDBHSA-N 2 0 364.509 0.953 20 0 FCADRP CC(=O)NCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280169395 1261020217 /nfs/dbraw/zinc/02/02/17/1261020217.db2.gz CFQQDXUVLFHRBX-SFHVURJKSA-N 2 0 362.518 0.921 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@@H]2C1 ZINC001280187008 1261024366 /nfs/dbraw/zinc/02/43/66/1261024366.db2.gz BDGNHZDHFYHPIY-HZPDHXFCSA-N 2 0 369.506 0.138 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001332332492 1266379447 /nfs/dbraw/zinc/37/94/47/1266379447.db2.gz QLERWAKDFFWJLG-IYBDPMFKSA-N 2 0 362.474 0.439 20 0 FCADRP Cn1cnc([C@@H]2CN(CC[NH+](C)C)C[C@H]2C(=O)NC2CC[NH+](C)CC2)c1 ZINC001280222003 1261039608 /nfs/dbraw/zinc/03/96/08/1261039608.db2.gz XTFZTSAQDBNRME-IAGOWNOFSA-N 2 0 362.522 0.208 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCn2nccc2CN1CC[NH+](C)C ZINC001280222134 1261039664 /nfs/dbraw/zinc/03/96/64/1261039664.db2.gz ZJAADEXYUWHAKL-SFHVURJKSA-N 2 0 364.538 0.819 20 0 FCADRP C[NH+](C)CCCN1CC[N@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280223145 1261039670 /nfs/dbraw/zinc/03/96/70/1261039670.db2.gz CZOGOTMTDSSKPK-IBGZPJMESA-N 2 0 362.522 0.491 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2COC(C)(C)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280227677 1261040370 /nfs/dbraw/zinc/04/03/70/1261040370.db2.gz PZDRTCQHJOXOFL-VQIMIIECSA-N 2 0 368.522 0.356 20 0 FCADRP CC(=O)N1CCC(C[NH+]2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280273251 1261045308 /nfs/dbraw/zinc/04/53/08/1261045308.db2.gz VPSJNLKHGALPMY-SFHVURJKSA-N 2 0 362.518 0.777 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001281325086 1261110719 /nfs/dbraw/zinc/11/07/19/1261110719.db2.gz KCRJMBKJTLSKKA-QBPKDAKJSA-N 2 0 368.522 0.258 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001281862127 1261241288 /nfs/dbraw/zinc/24/12/88/1261241288.db2.gz JRRZQAXOLUZGRQ-BZUAXINKSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001332408196 1266395422 /nfs/dbraw/zinc/39/54/22/1266395422.db2.gz HIUGKQFZNSRBQS-IRXDYDNUSA-N 2 0 362.522 0.543 20 0 FCADRP Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116662 1261637127 /nfs/dbraw/zinc/63/71/27/1261637127.db2.gz IBBIAXZMTAMSJN-HZPDHXFCSA-N 2 0 373.501 0.802 20 0 FCADRP CN(C(=O)C(=O)NCc1cccc(O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001345288694 1261666685 /nfs/dbraw/zinc/66/66/85/1261666685.db2.gz FUMROKVIYLUSNS-QGZVFWFLSA-N 2 0 374.485 0.635 20 0 FCADRP CO[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001289519539 1262235474 /nfs/dbraw/zinc/23/54/74/1262235474.db2.gz HJMFPHUHGNVYES-BFYDXBDKSA-N 2 0 365.478 0.120 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001289846284 1262356473 /nfs/dbraw/zinc/35/64/73/1262356473.db2.gz DWZNYEHVCCNLON-ZACQAIPSSA-N 2 0 364.534 0.974 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn3cc(C[NH3+])ccc3n2)C1 ZINC001580340717 1278137790 /nfs/dbraw/zinc/13/77/90/1278137790.db2.gz GYNRMMFKYSLFKI-AWEZNQCLSA-N 2 0 358.446 0.110 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001580340889 1278138400 /nfs/dbraw/zinc/13/84/00/1278138400.db2.gz NYHDIJPBIUMSON-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C)[NH+](C)C ZINC001290709004 1262499331 /nfs/dbraw/zinc/49/93/31/1262499331.db2.gz BWLBCNOENNSLMU-HYVNUMGLSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001484568810 1263479565 /nfs/dbraw/zinc/47/95/65/1263479565.db2.gz OIXAESOUUZYVIV-MUIFIZLQSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001319531677 1263704341 /nfs/dbraw/zinc/70/43/41/1263704341.db2.gz JJSILUSIPVLLHN-LJQANCHMSA-N 2 0 362.474 0.650 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001320006443 1263753451 /nfs/dbraw/zinc/75/34/51/1263753451.db2.gz WOQMXFLFHGHCQO-BRSBDYLESA-N 2 0 364.534 0.929 20 0 FCADRP OC[C@@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CC1CCOCC1 ZINC001321296396 1263930643 /nfs/dbraw/zinc/93/06/43/1263930643.db2.gz OCWLAZBEFUEMFA-LJQANCHMSA-N 2 0 369.550 0.798 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580389748 1278219707 /nfs/dbraw/zinc/21/97/07/1278219707.db2.gz MRLCJCFMSXKEPI-FVCCEPFGSA-N 2 0 356.434 0.083 20 0 FCADRP CC1CC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001322609291 1264230103 /nfs/dbraw/zinc/23/01/03/1264230103.db2.gz QTAFALYYTBXGNO-UHFFFAOYSA-N 2 0 359.474 0.625 20 0 FCADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001580401186 1278224133 /nfs/dbraw/zinc/22/41/33/1278224133.db2.gz KCKZELJIABLJNI-IMBTUZDBSA-N 2 0 360.458 0.848 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580401873 1278227634 /nfs/dbraw/zinc/22/76/34/1278227634.db2.gz BFHGTEAOFYELMJ-DYVFJYSZSA-N 2 0 369.473 0.803 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001323018747 1264318448 /nfs/dbraw/zinc/31/84/48/1264318448.db2.gz QXWOLKWJEYHQQN-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001580402079 1278230858 /nfs/dbraw/zinc/23/08/58/1278230858.db2.gz FKGSYNUMQWWUMT-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC001333626152 1266655309 /nfs/dbraw/zinc/65/53/09/1266655309.db2.gz PEYBBSZPQSRIIO-WMLDXEAASA-N 2 0 362.474 0.802 20 0 FCADRP CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001323511424 1264445305 /nfs/dbraw/zinc/44/53/05/1264445305.db2.gz JSXYMOARPUEFLB-SJORKVTESA-N 2 0 370.538 0.506 20 0 FCADRP CC1=CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001323752484 1264504325 /nfs/dbraw/zinc/50/43/25/1264504325.db2.gz DZPHIOYTBKGPHX-UHFFFAOYSA-N 2 0 371.485 0.889 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC001324905631 1264732288 /nfs/dbraw/zinc/73/22/88/1264732288.db2.gz FZNMPKJOANRVBL-MRXNPFEDSA-N 2 0 357.458 0.427 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325700865 1264973669 /nfs/dbraw/zinc/97/36/69/1264973669.db2.gz AXLSILVHVCZSMO-QGZVFWFLSA-N 2 0 362.474 0.235 20 0 FCADRP COc1cccc(C[C@H](O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001326123628 1265061235 /nfs/dbraw/zinc/06/12/35/1265061235.db2.gz HJNSIXFRMCFKNC-APWZRJJASA-N 2 0 361.486 0.883 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1)[NH+](C)C ZINC001513387168 1265082759 /nfs/dbraw/zinc/08/27/59/1265082759.db2.gz YHGXHECHKHQWFK-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](CC)CC ZINC001513552079 1265198226 /nfs/dbraw/zinc/19/82/26/1265198226.db2.gz GWORVQZHDBGYMI-IKGGRYGDSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001327104196 1265236777 /nfs/dbraw/zinc/23/67/77/1265236777.db2.gz FGEYJJUMKORRSB-IRXDYDNUSA-N 2 0 363.506 0.513 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001327487889 1265340183 /nfs/dbraw/zinc/34/01/83/1265340183.db2.gz XZZLBGFPNSXEGY-HNNXBMFYSA-N 2 0 361.490 0.524 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001327598190 1265369997 /nfs/dbraw/zinc/36/99/97/1265369997.db2.gz ZCCGTOUGIZISQE-CQSZACIVSA-N 2 0 362.478 0.433 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574110 1266432598 /nfs/dbraw/zinc/43/25/98/1266432598.db2.gz SIEFMBYCGFRACT-OKZBNKHCSA-N 2 0 367.538 0.694 20 0 FCADRP [NH3+][C@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001580415622 1278263925 /nfs/dbraw/zinc/26/39/25/1278263925.db2.gz YEWXBQRDDQXTFW-HRCADAONSA-N 2 0 364.494 0.166 20 0 FCADRP COC(=O)[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039598 1266527550 /nfs/dbraw/zinc/52/75/50/1266527550.db2.gz XCYINBYPBFUGRH-AZUAARDMSA-N 2 0 361.486 0.660 20 0 FCADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC001333598190 1266643874 /nfs/dbraw/zinc/64/38/74/1266643874.db2.gz YZLOAWPALOYFDI-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001334062540 1266801224 /nfs/dbraw/zinc/80/12/24/1266801224.db2.gz GSNIGKBBQZNNHC-HKUYNNGSSA-N 2 0 355.523 0.238 20 0 FCADRP O=C(NCCN1CCc2sccc2C1)NCC[NH+]1CCC(O)CC1 ZINC001334140456 1266850029 /nfs/dbraw/zinc/85/00/29/1266850029.db2.gz KBGBCLSVXAPBBH-UHFFFAOYSA-N 2 0 352.504 0.862 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCN2CCC3(C2)OCCO3)C1 ZINC001527877729 1266931404 /nfs/dbraw/zinc/93/14/04/1266931404.db2.gz HVUMAGYHXVVQFZ-KRWDZBQOSA-N 2 0 366.506 0.809 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001334902452 1267225427 /nfs/dbraw/zinc/22/54/27/1267225427.db2.gz MWOKNKWQSRCELT-UHFFFAOYSA-N 2 0 350.507 0.764 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001335199414 1267401025 /nfs/dbraw/zinc/40/10/25/1267401025.db2.gz XPKGRVGSHLIOOF-INIZCTEOSA-N 2 0 359.474 0.004 20 0 FCADRP Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001580461815 1278335214 /nfs/dbraw/zinc/33/52/14/1278335214.db2.gz KLIQFSOJBYSVSW-CHWSQXEVSA-N 2 0 360.466 0.315 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937100 1267774726 /nfs/dbraw/zinc/77/47/26/1267774726.db2.gz FDHCOWXTCYVICR-OCCSQVGLSA-N 2 0 358.450 0.404 20 0 FCADRP Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCC[N@@H+]1C ZINC001548941620 1267775393 /nfs/dbraw/zinc/77/53/93/1267775393.db2.gz XLRGEIKNZPKSSY-KEYYUXOJSA-N 2 0 372.477 0.359 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1c1ccccc1F ZINC001549033304 1267793283 /nfs/dbraw/zinc/79/32/83/1267793283.db2.gz WXTOFSMTCISXJD-GDBMZVCRSA-N 2 0 358.421 0.909 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549125745 1267817491 /nfs/dbraw/zinc/81/74/91/1267817491.db2.gz PTGVHDIFRQMLML-HIRMHNASSA-N 2 0 361.490 0.497 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549125748 1267817616 /nfs/dbraw/zinc/81/76/16/1267817616.db2.gz PTGVHDIFRQMLML-RIVXBTQJSA-N 2 0 361.490 0.497 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(=O)N3CCOCC3)[C@H](C)C2)CC1 ZINC001549140507 1267822594 /nfs/dbraw/zinc/82/25/94/1267822594.db2.gz ZXGCILHBXLVKIT-WBVHZDCISA-N 2 0 366.506 0.014 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001549210729 1267857721 /nfs/dbraw/zinc/85/77/21/1267857721.db2.gz LLLITCQHXFZHDL-GVDBMIGSSA-N 2 0 350.438 0.949 20 0 FCADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nnn1[C@@H]1CC[NH2+]C1 ZINC001549293008 1267891797 /nfs/dbraw/zinc/89/17/97/1267891797.db2.gz QWPKMWMZBBRVLE-FPCVCCKLSA-N 2 0 362.478 0.622 20 0 FCADRP Cn1ncc2cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc21 ZINC001338373262 1267922314 /nfs/dbraw/zinc/92/23/14/1267922314.db2.gz IYXWHQWPHCCTJZ-UHFFFAOYSA-N 2 0 354.480 0.082 20 0 FCADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC001338465771 1267950275 /nfs/dbraw/zinc/95/02/75/1267950275.db2.gz GLXOAHIQZHRCGL-RHSMWYFYSA-N 2 0 355.504 0.349 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC001549723273 1267979135 /nfs/dbraw/zinc/97/91/35/1267979135.db2.gz XPEGCMLFXCJDLE-UPJWGTAASA-N 2 0 358.364 0.836 20 0 FCADRP O=C(C[NH2+]C[C@H](O)COc1ccccc1F)NCC[NH+]1CCCCC1 ZINC001338550070 1267981036 /nfs/dbraw/zinc/98/10/36/1267981036.db2.gz LRAAJLNZNJAMAJ-HNNXBMFYSA-N 2 0 353.438 0.757 20 0 FCADRP NC(=O)C1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001338567561 1267989018 /nfs/dbraw/zinc/98/90/18/1267989018.db2.gz OIQVOGDYAXEGBR-KZNFOHLHSA-N 2 0 363.506 0.641 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001338689115 1268044138 /nfs/dbraw/zinc/04/41/38/1268044138.db2.gz YIOHKKAWFHQXAJ-UHFFFAOYSA-N 2 0 367.538 0.696 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC001550005402 1268045738 /nfs/dbraw/zinc/04/57/38/1268045738.db2.gz SGTSRMUYVASCDD-KURKYZTESA-N 2 0 374.533 0.865 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@H]2[NH3+])cn1 ZINC001550067324 1268068199 /nfs/dbraw/zinc/06/81/99/1268068199.db2.gz OBDJVKLZNOQSKZ-KBPBESRZSA-N 2 0 360.487 0.911 20 0 FCADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090081 1268071645 /nfs/dbraw/zinc/07/16/45/1268071645.db2.gz MVOOSQGABVJCOH-HZPDHXFCSA-N 2 0 362.478 0.433 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@]4(C)C3)ccc2[nH]c1=O ZINC001550115741 1268075888 /nfs/dbraw/zinc/07/58/88/1268075888.db2.gz DDCWWPCVLWLKRI-AUUYWEPGSA-N 2 0 357.458 0.985 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)c1 ZINC001550208599 1268091686 /nfs/dbraw/zinc/09/16/86/1268091686.db2.gz JARAGZUDTSGAEL-WBVHZDCISA-N 2 0 370.457 0.916 20 0 FCADRP COC[C@@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC001550202446 1268091910 /nfs/dbraw/zinc/09/19/10/1268091910.db2.gz MKHHQBJSMGNCHX-QGZVFWFLSA-N 2 0 352.479 0.087 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285446 1268103791 /nfs/dbraw/zinc/10/37/91/1268103791.db2.gz NZOJWHYFNDPQFM-IRXDYDNUSA-N 2 0 365.522 0.176 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH+](C)C ZINC001550285322 1268103902 /nfs/dbraw/zinc/10/39/02/1268103902.db2.gz JUDQSRWIKPTQNP-AEUSTVAISA-N 3 0 351.539 0.898 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC001550410001 1268113170 /nfs/dbraw/zinc/11/31/70/1268113170.db2.gz OESUJNUJBKLBKI-BSDSXHPESA-N 2 0 351.491 0.807 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[NH+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476623 1268124509 /nfs/dbraw/zinc/12/45/09/1268124509.db2.gz ALGLFBORZGCHRT-PITCONLNSA-N 2 0 351.491 0.446 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H](O)C2 ZINC001550485663 1268127134 /nfs/dbraw/zinc/12/71/34/1268127134.db2.gz BKNAPKUYBYARSF-ZDMKNRLGSA-N 2 0 353.507 0.429 20 0 FCADRP Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913859 1268184058 /nfs/dbraw/zinc/18/40/58/1268184058.db2.gz QCDFEIWXPLVXLK-FXAWDEMLSA-N 2 0 358.486 0.848 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC001550914363 1268184361 /nfs/dbraw/zinc/18/43/61/1268184361.db2.gz UEBVHBNHBSNUMM-RHSMWYFYSA-N 2 0 350.488 0.601 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC001551274932 1268219892 /nfs/dbraw/zinc/21/98/92/1268219892.db2.gz QPDYHUIFDMQOLR-PQUAAJSLSA-N 2 0 354.495 0.386 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465631 1268257180 /nfs/dbraw/zinc/25/71/80/1268257180.db2.gz YECOTPVZMMIGKM-IRXDYDNUSA-N 2 0 365.522 0.176 20 0 FCADRP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@@H+]2C[C@@H](O)C[C@H]2C1 ZINC001551489317 1268261121 /nfs/dbraw/zinc/26/11/21/1268261121.db2.gz BWQZYLLAZSXYMR-COCVIAQXSA-N 2 0 372.469 0.703 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@]34C[C@]3(C(F)(F)F)C[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC001551549770 1268265427 /nfs/dbraw/zinc/26/54/27/1268265427.db2.gz GRBLDQJENLFWNS-NEBZKDRISA-N 2 0 372.395 0.398 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001551555014 1268266519 /nfs/dbraw/zinc/26/65/19/1268266519.db2.gz LQZCOUMDJKNAOM-MMTVNHQJSA-N 2 0 351.495 0.260 20 0 FCADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C2 ZINC001551554907 1268266893 /nfs/dbraw/zinc/26/68/93/1268266893.db2.gz KZJHYLYHWGPTDW-IAAVTCLWSA-N 2 0 363.506 0.274 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551560020 1268271090 /nfs/dbraw/zinc/27/10/90/1268271090.db2.gz HKFJRASBJJRZMM-RDJZCZTQSA-N 2 0 365.522 0.664 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551561752 1268271543 /nfs/dbraw/zinc/27/15/43/1268271543.db2.gz KKDOPFIQFZYZKG-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H](C)[NH+]1C ZINC001551563828 1268272604 /nfs/dbraw/zinc/27/26/04/1268272604.db2.gz SBQUPSXXQDQPQK-SMKXDYDZSA-N 2 0 351.495 0.367 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551568576 1268273881 /nfs/dbraw/zinc/27/38/81/1268273881.db2.gz JMTWJPVJUOMSMN-RDJZCZTQSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551573245 1268274505 /nfs/dbraw/zinc/27/45/05/1268274505.db2.gz WLRKOHFBYSRXLE-FUHWJXTLSA-N 2 0 365.522 0.616 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551576872 1268275279 /nfs/dbraw/zinc/27/52/79/1268275279.db2.gz KKYNCUGGTNHIJO-ZOBUZTSGSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001551578908 1268276356 /nfs/dbraw/zinc/27/63/56/1268276356.db2.gz NLXKUUNVHJSBNE-DPAVQSFQSA-N 2 0 351.495 0.321 20 0 FCADRP CC1(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001551579628 1268276572 /nfs/dbraw/zinc/27/65/72/1268276572.db2.gz ORKZVYQVKHCPPU-GDBMZVCRSA-N 2 0 351.495 0.322 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC001551580447 1268277822 /nfs/dbraw/zinc/27/78/22/1268277822.db2.gz PXSJAQMQNSCFDU-BOXZVXIZSA-N 2 0 351.495 0.545 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551581404 1268278028 /nfs/dbraw/zinc/27/80/28/1268278028.db2.gz QXTSLMIPQPOKNR-UXLLHSPISA-N 2 0 351.495 0.369 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551583719 1268278627 /nfs/dbraw/zinc/27/86/27/1268278627.db2.gz WJWVBPGZGKCEQO-PWXKEOIMSA-N 2 0 351.495 0.545 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585857 1268279348 /nfs/dbraw/zinc/27/93/48/1268279348.db2.gz BAODMCFSAVIWJG-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551589983 1268280438 /nfs/dbraw/zinc/28/04/38/1268280438.db2.gz JFAZLCHBAXBQQS-YXJHDRRASA-N 2 0 365.522 0.616 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597764 1268281745 /nfs/dbraw/zinc/28/17/45/1268281745.db2.gz WZDIGDLXMARNRE-FUHWJXTLSA-N 2 0 365.522 0.664 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001551617239 1268284544 /nfs/dbraw/zinc/28/45/44/1268284544.db2.gz UKZOLZNYFVDDOY-UHFFFAOYSA-N 2 0 353.507 0.840 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001339912774 1268370371 /nfs/dbraw/zinc/37/03/71/1268370371.db2.gz GURSOOYOVJJORR-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC001552154860 1268394888 /nfs/dbraw/zinc/39/48/88/1268394888.db2.gz URKRLEBMAWGTRW-SQNIBIBYSA-N 2 0 350.507 0.097 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cnn1C ZINC001552163947 1268396491 /nfs/dbraw/zinc/39/64/91/1268396491.db2.gz ZUERGBCFRDGSIE-IAGOWNOFSA-N 2 0 369.473 0.475 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cnn1C ZINC001552167788 1268398908 /nfs/dbraw/zinc/39/89/08/1268398908.db2.gz SCORFJWINFLLQV-QZTJIDSGSA-N 2 0 361.490 0.355 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC001552167302 1268399280 /nfs/dbraw/zinc/39/92/80/1268399280.db2.gz YNTWLHVJEOHONT-NJAFHUGGSA-N 2 0 363.506 0.505 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC001552167808 1268399925 /nfs/dbraw/zinc/39/99/25/1268399925.db2.gz RXKQCSXYBMYMCZ-ZMSDIMECSA-N 2 0 362.478 0.067 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)cn1 ZINC001552173206 1268401948 /nfs/dbraw/zinc/40/19/48/1268401948.db2.gz DLGUCSSQHXDACU-BZUAXINKSA-N 2 0 350.467 0.554 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552188993 1268406208 /nfs/dbraw/zinc/40/62/08/1268406208.db2.gz XDBRUBWYALIKFC-DNVCBOLYSA-N 2 0 365.522 0.700 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552188994 1268406597 /nfs/dbraw/zinc/40/65/97/1268406597.db2.gz XDBRUBWYALIKFC-HNAYVOBHSA-N 2 0 365.522 0.700 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)C1 ZINC001552201665 1268408154 /nfs/dbraw/zinc/40/81/54/1268408154.db2.gz RHXMXVHPMOVBQN-QINHECLXSA-N 2 0 372.469 0.558 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)nc1 ZINC001552203426 1268409408 /nfs/dbraw/zinc/40/94/08/1268409408.db2.gz BNHKNWVXCCAGPU-APWZRJJASA-N 2 0 359.474 0.028 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)nc2)CC1 ZINC001552202531 1268409680 /nfs/dbraw/zinc/40/96/80/1268409680.db2.gz ILKYSXZQXBJVLA-AUUYWEPGSA-N 2 0 359.474 0.787 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552216261 1268413304 /nfs/dbraw/zinc/41/33/04/1268413304.db2.gz MUFZKGYVMGRDFO-HRCADAONSA-N 2 0 358.421 0.827 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283511 1268432135 /nfs/dbraw/zinc/43/21/35/1268432135.db2.gz SYIRBWDCJZXJSZ-GFIVTLFCSA-N 2 0 351.491 0.570 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111432 1268438761 /nfs/dbraw/zinc/43/87/61/1268438761.db2.gz CAWGPQRNYZRSDH-CTNGQTDRSA-N 2 0 374.529 0.986 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340154266 1268453308 /nfs/dbraw/zinc/45/33/08/1268453308.db2.gz HZBWFNAPEIRSKC-RDJZCZTQSA-N 2 0 354.495 0.236 20 0 FCADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[NH2+]CCN2C)CCOCC1)c1ccccc1 ZINC001340221776 1268475890 /nfs/dbraw/zinc/47/58/90/1268475890.db2.gz FSBONPIFZNMGJY-FUHWJXTLSA-N 2 0 360.502 0.906 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1n1ccnn1 ZINC001552599407 1268483165 /nfs/dbraw/zinc/48/31/65/1268483165.db2.gz QMAPWSSUZRKLBP-DLBZAZTESA-N 2 0 361.494 0.649 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001552603494 1268486159 /nfs/dbraw/zinc/48/61/59/1268486159.db2.gz HPUDWDFNPXJENY-QZWWFDLISA-N 2 0 363.510 0.895 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC001340347689 1268518684 /nfs/dbraw/zinc/51/86/84/1268518684.db2.gz BBBHWUXZZWBFRF-GOSISDBHSA-N 2 0 360.506 0.486 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552696065 1268524169 /nfs/dbraw/zinc/52/41/69/1268524169.db2.gz SWNNOAIXGYWDND-GDBMZVCRSA-N 2 0 350.467 0.561 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1n1cc(C(=O)N2CC3(CC[NH2+]CC3)[C@H]3COC[C@@H]32)nn1 ZINC001552697803 1268524484 /nfs/dbraw/zinc/52/44/84/1268524484.db2.gz PRLRLXRJGGSMOM-FSDCSDTHSA-N 2 0 374.489 0.561 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001340397059 1268534666 /nfs/dbraw/zinc/53/46/66/1268534666.db2.gz DCYIEVIERSFQNL-QUCCMNQESA-N 2 0 361.486 0.898 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001552799320 1268549220 /nfs/dbraw/zinc/54/92/20/1268549220.db2.gz ZNWYLNDQFBKJFC-BRSBDYLESA-N 2 0 367.538 0.515 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)NCc1cn(C2CC[NH2+]CC2)nn1 ZINC001552842425 1268558275 /nfs/dbraw/zinc/55/82/75/1268558275.db2.gz FPCMWDZKMNJJGX-UHFFFAOYSA-N 2 0 354.458 0.707 20 0 FCADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552855932 1268560759 /nfs/dbraw/zinc/56/07/59/1268560759.db2.gz ZKCCELFLVDPTDI-FOGDFJRCSA-N 2 0 354.405 0.963 20 0 FCADRP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552855930 1268561630 /nfs/dbraw/zinc/56/16/30/1268561630.db2.gz ZKCCELFLVDPTDI-CKYFFXLPSA-N 2 0 354.405 0.963 20 0 FCADRP CN1CC[NH+](C2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC001552977070 1268571754 /nfs/dbraw/zinc/57/17/54/1268571754.db2.gz RLTSFVBYWDFWIW-UHFFFAOYSA-N 2 0 351.539 0.155 20 0 FCADRP CN1CC[NH+](C2CCC(NC(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC001552977021 1268572119 /nfs/dbraw/zinc/57/21/19/1268572119.db2.gz GDWYHIZKHLCYBQ-UHFFFAOYSA-N 2 0 364.534 0.772 20 0 FCADRP O=C([C@@H]1C[C@H](c2ccccc2)C[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355144 1268636043 /nfs/dbraw/zinc/63/60/43/1268636043.db2.gz TYCLQYLSRTXEBD-QYZOEREBSA-N 2 0 370.497 0.803 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnc([C@H]2CCC[NH2+]2)nc1 ZINC001553358674 1268637382 /nfs/dbraw/zinc/63/73/82/1268637382.db2.gz ZQFWAXXDTYTLTK-OAHLLOKOSA-N 2 0 353.430 0.958 20 0 FCADRP CN(C)C(=O)COc1cccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553389189 1268642558 /nfs/dbraw/zinc/64/25/58/1268642558.db2.gz KAUWLWXANCQDDE-KUHUBIRLSA-N 2 0 360.458 0.633 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001553451198 1268653342 /nfs/dbraw/zinc/65/33/42/1268653342.db2.gz AYCFPMJRGXYQRS-WBVHZDCISA-N 2 0 366.506 0.555 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001553456538 1268654398 /nfs/dbraw/zinc/65/43/98/1268654398.db2.gz CPAYRXWRLYBURU-KXBFYZLASA-N 2 0 365.522 0.746 20 0 FCADRP CCO[C@H]1COC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553491296 1268658489 /nfs/dbraw/zinc/65/84/89/1268658489.db2.gz UTVFTOGQMSEMCS-YVSFHVDLSA-N 2 0 352.479 0.401 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C2CC[NH2+]CC2)CC12CCOCC2 ZINC001553501557 1268659484 /nfs/dbraw/zinc/65/94/84/1268659484.db2.gz HGJOKTBOCRZTEM-OAGGEKHMSA-N 2 0 352.479 0.293 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553500546 1268659762 /nfs/dbraw/zinc/65/97/62/1268659762.db2.gz DUCGHWVYCBWJTL-OWCLPIDISA-N 2 0 352.479 0.211 20 0 FCADRP CC1(C)C[NH2+][C@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001553556621 1268669267 /nfs/dbraw/zinc/66/92/67/1268669267.db2.gz XGDNZZHQRFTDFH-HNNXBMFYSA-N 2 0 365.522 0.890 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2[C@H]3CCCC[NH2+][C@H]32)CC1 ZINC001553555304 1268669306 /nfs/dbraw/zinc/66/93/06/1268669306.db2.gz JJJVADAVSMOGLM-ARFHVFGLSA-N 2 0 363.506 0.642 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCCC[C@@H]3[C@@H]([NH3+])[C@@H]32)CC1 ZINC001553555492 1268669558 /nfs/dbraw/zinc/66/95/58/1268669558.db2.gz IZNWZQSFYMGMTD-BZUAXINKSA-N 2 0 363.506 0.724 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCCC[C@@H]3[C@H]([NH3+])[C@H]32)CC1 ZINC001553555495 1268669733 /nfs/dbraw/zinc/66/97/33/1268669733.db2.gz IZNWZQSFYMGMTD-PMPSAXMXSA-N 2 0 363.506 0.724 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001341102972 1268785003 /nfs/dbraw/zinc/78/50/03/1268785003.db2.gz LOCNEZOIBHTQSE-MSOLQXFVSA-N 2 0 371.485 0.548 20 0 FCADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N1CCC([NH2+]C2CCC2)CC1 ZINC001580518952 1278442533 /nfs/dbraw/zinc/44/25/33/1278442533.db2.gz QTMAHNVZZPEVGG-WQVCFCJDSA-N 2 0 355.504 0.142 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001341418136 1268984822 /nfs/dbraw/zinc/98/48/22/1268984822.db2.gz POZJMYLHQPAOEQ-OWSLCNJRSA-N 2 0 351.539 0.994 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1=O ZINC001341549500 1269074066 /nfs/dbraw/zinc/07/40/66/1269074066.db2.gz JTYAJKNGQJYIDU-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001341555976 1269079156 /nfs/dbraw/zinc/07/91/56/1269079156.db2.gz QKVJTFWAAYLJHR-UHFFFAOYSA-N 2 0 350.463 0.456 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341677902 1269147126 /nfs/dbraw/zinc/14/71/26/1269147126.db2.gz VIJZYIGDXXSNKI-LMMKCTJWSA-N 2 0 352.523 0.508 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001341678281 1269147463 /nfs/dbraw/zinc/14/74/63/1269147463.db2.gz WNUYTEWCUAHIBR-SFHVURJKSA-N 3 0 367.538 0.151 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2c1OCC2 ZINC001342088593 1269341187 /nfs/dbraw/zinc/34/11/87/1269341187.db2.gz WBEAEMCGNDCJLV-UHFFFAOYSA-N 2 0 362.474 0.190 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC1 ZINC001566048285 1269580803 /nfs/dbraw/zinc/58/08/03/1269580803.db2.gz IALNEYJKKBNCCI-SJORKVTESA-N 2 0 362.518 0.635 20 0 FCADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567841250 1269709406 /nfs/dbraw/zinc/70/94/06/1269709406.db2.gz VEUIXBZTEYQVSC-OTWHNJEPSA-N 2 0 361.486 0.387 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1OC ZINC001343015211 1269732077 /nfs/dbraw/zinc/73/20/77/1269732077.db2.gz SBHUMFWMLIXRJU-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001343103461 1269772965 /nfs/dbraw/zinc/77/29/65/1269772965.db2.gz UACAKFNRMGETTH-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)[C@@H](c2ccccc2)C1 ZINC001569419270 1269785063 /nfs/dbraw/zinc/78/50/63/1269785063.db2.gz ZXMVXEBGSQMNHR-MSOLQXFVSA-N 2 0 368.485 0.862 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O ZINC001343605333 1269958876 /nfs/dbraw/zinc/95/88/76/1269958876.db2.gz KUEBXNCMEPARLF-SJORKVTESA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001343783790 1270010808 /nfs/dbraw/zinc/01/08/08/1270010808.db2.gz PKCMURCMQONRIQ-LJQANCHMSA-N 2 0 360.502 0.866 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC001573066493 1270587600 /nfs/dbraw/zinc/58/76/00/1270587600.db2.gz PRZIGOVMPGMKDA-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001573069250 1270590585 /nfs/dbraw/zinc/59/05/85/1270590585.db2.gz JSXUNAWGRFNUOL-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CCOCc1nnc(N2CC[NH2+]CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001573803404 1270886751 /nfs/dbraw/zinc/88/67/51/1270886751.db2.gz YVIBNEUGSWRGSL-INIZCTEOSA-N 2 0 354.524 0.662 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573983004 1270976142 /nfs/dbraw/zinc/97/61/42/1270976142.db2.gz UBYVBSYZKNEUDU-XJKCOSOUSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260546 1271131631 /nfs/dbraw/zinc/13/16/31/1271131631.db2.gz LVGZECLAOZPYRX-UHFFFAOYSA-N 2 0 351.480 0.864 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574264836 1271141682 /nfs/dbraw/zinc/14/16/82/1271141682.db2.gz PUJFWMGBBIHQIC-WKILWMFISA-N 2 0 357.462 0.944 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574584497 1271381404 /nfs/dbraw/zinc/38/14/04/1271381404.db2.gz NTYIFAAENXTQKL-DOMZBBRYSA-N 2 0 360.466 0.577 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574671995 1271476218 /nfs/dbraw/zinc/47/62/18/1271476218.db2.gz RFPSAWISNQMAQK-LBPRGKRZSA-N 2 0 356.434 0.086 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580655568 1278636243 /nfs/dbraw/zinc/63/62/43/1278636243.db2.gz ZLSSDDSAKSKYIJ-SFHVURJKSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574785908 1271519869 /nfs/dbraw/zinc/51/98/69/1271519869.db2.gz PCYIMFHLBICIBF-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574837627 1271581019 /nfs/dbraw/zinc/58/10/19/1271581019.db2.gz CBFUTOYIMVTVCJ-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874884 1271629260 /nfs/dbraw/zinc/62/92/60/1271629260.db2.gz FLCRIKMSTRPCOM-RYUDHWBXSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877301 1271636748 /nfs/dbraw/zinc/63/67/48/1271636748.db2.gz QUKRLZYZGHUSRO-WCQYABFASA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877970 1271640373 /nfs/dbraw/zinc/64/03/73/1271640373.db2.gz UEVAUSKCGQCOOV-DGCLKSJQSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896674 1271659195 /nfs/dbraw/zinc/65/91/95/1271659195.db2.gz GGRVIWKBMQIMQY-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909582 1271673558 /nfs/dbraw/zinc/67/35/58/1271673558.db2.gz PRQQUDZXXUPJSO-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575115038 1271730025 /nfs/dbraw/zinc/73/00/25/1271730025.db2.gz MENNBXOTJJKSCN-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575380868 1272024222 /nfs/dbraw/zinc/02/42/22/1272024222.db2.gz XZZJLSQZCWMKLA-NWDGAFQWSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575390401 1272036925 /nfs/dbraw/zinc/03/69/25/1272036925.db2.gz ZRXPSBBYAKKWAI-NWDGAFQWSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001575430304 1272097290 /nfs/dbraw/zinc/09/72/90/1272097290.db2.gz CWDZGHGAZVJXNP-CJNGLKHVSA-N 2 0 372.477 0.817 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437702 1272107048 /nfs/dbraw/zinc/10/70/48/1272107048.db2.gz CJWOKJUXNPGRED-KGLIPLIRSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001575662568 1272278029 /nfs/dbraw/zinc/27/80/29/1272278029.db2.gz HDWVCESZGGMKIL-UHFFFAOYSA-N 2 0 350.511 0.733 20 0 FCADRP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(=O)[nH]c1=O ZINC001575672948 1272284889 /nfs/dbraw/zinc/28/48/89/1272284889.db2.gz GNXQVEJTKGMFTP-VXGBXAGGSA-N 2 0 351.451 0.287 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1CCC[N@H+](C)C(C)C ZINC001575711174 1272348735 /nfs/dbraw/zinc/34/87/35/1272348735.db2.gz CGHOYPLLAVJIOE-GJZGRUSLSA-N 2 0 365.526 0.930 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC(C)(C)[NH3+] ZINC001575713181 1272355010 /nfs/dbraw/zinc/35/50/10/1272355010.db2.gz SQMNNDDVIICEBY-ZIAGYGMSSA-N 2 0 363.510 0.827 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H](C3CC3)[C@H]([NH3+])C2)n1C[C@H](C)[NH+](C)C ZINC001575722899 1272378325 /nfs/dbraw/zinc/37/83/25/1272378325.db2.gz SLJOTQUYTGRVSN-AEGPPILISA-N 2 0 363.510 0.540 20 0 FCADRP C[C@H](C[NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001575995033 1272665915 /nfs/dbraw/zinc/66/59/15/1272665915.db2.gz CNYMCHYWAWNAQX-HIFRSBDPSA-N 2 0 361.494 0.356 20 0 FCADRP C[C@H](C[NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001575995856 1272666843 /nfs/dbraw/zinc/66/68/43/1272666843.db2.gz GARNEADLQVGZFI-RBSFLKMASA-N 2 0 361.494 0.499 20 0 FCADRP C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001576009268 1272703478 /nfs/dbraw/zinc/70/34/78/1272703478.db2.gz YBKGUGKWWCQHGD-HZPDHXFCSA-N 2 0 373.505 0.789 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001576046967 1272772403 /nfs/dbraw/zinc/77/24/03/1272772403.db2.gz OYPPIVKEGASPSL-ZIAGYGMSSA-N 2 0 370.461 0.571 20 0 FCADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CCc3cn[nH]n3)CCOCC2)CC1 ZINC001576105633 1272888611 /nfs/dbraw/zinc/88/86/11/1272888611.db2.gz WZGYHMRIZRZRPP-UHFFFAOYSA-N 2 0 364.494 0.334 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cn[nH]n1)CC2)[NH+](C)C ZINC001576182619 1272979291 /nfs/dbraw/zinc/97/92/91/1272979291.db2.gz APBIVDWTRWZFFA-HOTGVXAUSA-N 2 0 364.494 0.632 20 0 FCADRP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001576201817 1272987253 /nfs/dbraw/zinc/98/72/53/1272987253.db2.gz YZLISXKYDYKUTE-ARFHVFGLSA-N 2 0 353.511 0.160 20 0 FCADRP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001576201825 1272988005 /nfs/dbraw/zinc/98/80/05/1272988005.db2.gz YZLISXKYDYKUTE-XHSDSOJGSA-N 2 0 353.511 0.160 20 0 FCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576233136 1273001817 /nfs/dbraw/zinc/00/18/17/1273001817.db2.gz XSLPNRFITDFYOW-WFASDCNBSA-N 2 0 370.461 0.427 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486563 1273334697 /nfs/dbraw/zinc/33/46/97/1273334697.db2.gz XOEVFQARPKDYDD-CVEARBPZSA-N 2 0 350.467 0.039 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576492594 1273348016 /nfs/dbraw/zinc/34/80/16/1273348016.db2.gz PVKZMFYGAAYAGD-WCQYABFASA-N 2 0 363.491 0.959 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497083 1273354498 /nfs/dbraw/zinc/35/44/98/1273354498.db2.gz BSCYYSOXCZPUAQ-HOTGVXAUSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576497934 1273356287 /nfs/dbraw/zinc/35/62/87/1273356287.db2.gz ICWMPTQWEJYRBR-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576497933 1273356935 /nfs/dbraw/zinc/35/69/35/1273356935.db2.gz ICWMPTQWEJYRBR-DZGCQCFKSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576498333 1273358944 /nfs/dbraw/zinc/35/89/44/1273358944.db2.gz KKVSAGPWVMLMSW-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576498386 1273358982 /nfs/dbraw/zinc/35/89/82/1273358982.db2.gz KSHXCUMKDCSKDF-PWSUYJOCSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499173 1273361613 /nfs/dbraw/zinc/36/16/13/1273361613.db2.gz PSKVUHPPUSYIIJ-IAQYHMDHSA-N 2 0 360.466 0.496 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576500566 1273366442 /nfs/dbraw/zinc/36/64/42/1273366442.db2.gz YNQNLCHBQAYZHQ-GXTWGEPZSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576511983 1273387565 /nfs/dbraw/zinc/38/75/65/1273387565.db2.gz HVDBMVHWUWSCPI-HUBLWGQQSA-N 2 0 358.450 0.331 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557680 1273436546 /nfs/dbraw/zinc/43/65/46/1273436546.db2.gz SRTJVGMIJOTPLW-CVEARBPZSA-N 2 0 362.478 0.181 20 0 FCADRP CC1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CC[NH2+]CC2)CC1 ZINC001576731926 1273601683 /nfs/dbraw/zinc/60/16/83/1273601683.db2.gz PIFVQZJTOAMDFQ-UHFFFAOYSA-N 2 0 358.494 0.820 20 0 FCADRP CN(C[C@@H](O)C[NH2+]CCc1cn[nH]n1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001576747287 1273617778 /nfs/dbraw/zinc/61/77/78/1273617778.db2.gz KDOSDZSYZZCCGW-INIZCTEOSA-N 2 0 366.510 0.268 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]Cc3cnn[nH]3)CCOCC2)cc1 ZINC001576749278 1273620272 /nfs/dbraw/zinc/62/02/72/1273620272.db2.gz CNKMJISWDBHAQH-UHFFFAOYSA-N 2 0 372.473 0.935 20 0 FCADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576786948 1273676807 /nfs/dbraw/zinc/67/68/07/1273676807.db2.gz VHEJQSNDGDONEE-GFCCVEGCSA-N 2 0 356.434 0.086 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794291 1273696052 /nfs/dbraw/zinc/69/60/52/1273696052.db2.gz DUELENXRHQOBGK-JKSUJKDBSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794622 1273697183 /nfs/dbraw/zinc/69/71/83/1273697183.db2.gz FCKFYVMWBRUPHP-JKSUJKDBSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806977 1273717785 /nfs/dbraw/zinc/71/77/85/1273717785.db2.gz QCBFNXBTGQGCLL-CQSZACIVSA-N 2 0 372.477 0.722 20 0 FCADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824594 1273747947 /nfs/dbraw/zinc/74/79/47/1273747947.db2.gz SJAYMKNNXPGIDI-CHWSQXEVSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576841988 1273780378 /nfs/dbraw/zinc/78/03/78/1273780378.db2.gz QAIIVCAQHPDDPO-FRRDWIJNSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576848638 1273798551 /nfs/dbraw/zinc/79/85/51/1273798551.db2.gz XEVBLZMNKZEMAP-IUODEOHRSA-N 2 0 358.450 0.393 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC(OCCC[NH2+]Cc3cnn[nH]3)CC2)CC1 ZINC001576878702 1273861128 /nfs/dbraw/zinc/86/11/28/1273861128.db2.gz KTCKJQIOXWXPES-UHFFFAOYSA-N 2 0 364.494 0.634 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCC(CC[NH2+]Cc3cnn[nH]3)CC2)CC1 ZINC001576883443 1273865442 /nfs/dbraw/zinc/86/54/42/1273865442.db2.gz NEUWHCIJQIDDOF-UHFFFAOYSA-N 2 0 364.494 0.634 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576884587 1273870916 /nfs/dbraw/zinc/87/09/16/1273870916.db2.gz XRWCKOKTIYCIRL-OAHLLOKOSA-N 2 0 350.467 0.039 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001576898192 1273900185 /nfs/dbraw/zinc/90/01/85/1273900185.db2.gz NPEJSVAKOSULBJ-ZBFHGGJFSA-N 2 0 353.511 0.521 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576993758 1274027032 /nfs/dbraw/zinc/02/70/32/1274027032.db2.gz ADAIYEZWXOCLDI-HUUCEWRRSA-N 2 0 363.510 0.782 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001577430188 1274405138 /nfs/dbraw/zinc/40/51/38/1274405138.db2.gz SRZZEJWHCSGKJA-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP CCCN(C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CC[N@H+](C)C1 ZINC001577488608 1274445515 /nfs/dbraw/zinc/44/55/15/1274445515.db2.gz CBZJHBLHTXDDOD-CABCVRRESA-N 2 0 352.479 0.797 20 0 FCADRP CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001577530284 1274474346 /nfs/dbraw/zinc/47/43/46/1274474346.db2.gz ISKLGIXGAXAFRQ-HOTGVXAUSA-N 2 0 366.510 0.710 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577551459 1274491413 /nfs/dbraw/zinc/49/14/13/1274491413.db2.gz SKBPWIQJPDYRTM-HNNXBMFYSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577560381 1274508309 /nfs/dbraw/zinc/50/83/09/1274508309.db2.gz DDYPNWGXNAVGNI-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577560877 1274509988 /nfs/dbraw/zinc/50/99/88/1274509988.db2.gz KEJPSAIIPUYVSQ-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577561463 1274511566 /nfs/dbraw/zinc/51/15/66/1274511566.db2.gz ZUCZYNKLFKOXBE-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577562876 1274513773 /nfs/dbraw/zinc/51/37/73/1274513773.db2.gz IDKXDCRDABYXOA-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCC[N@H+](C)CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562837 1274514491 /nfs/dbraw/zinc/51/44/91/1274514491.db2.gz HCCGJFIYRVIPFW-AATRIKPKSA-N 2 0 358.450 0.418 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577567865 1274524236 /nfs/dbraw/zinc/52/42/36/1274524236.db2.gz JMTPSYLCIDVKLY-ZFWWWQNUSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570646 1274530879 /nfs/dbraw/zinc/53/08/79/1274530879.db2.gz BXBALXKOMTZDJD-CHWSQXEVSA-N 2 0 360.466 0.721 20 0 FCADRP Cc1ncc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571609 1274536450 /nfs/dbraw/zinc/53/64/50/1274536450.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 0 369.473 0.649 20 0 FCADRP CCN(C)C(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001577654340 1274656669 /nfs/dbraw/zinc/65/66/69/1274656669.db2.gz ANCBFRXARIEUGV-GJZGRUSLSA-N 2 0 363.510 0.711 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672743 1274705143 /nfs/dbraw/zinc/70/51/43/1274705143.db2.gz ADXXCLPKKCDAHU-XJKSGUPXSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577687982 1274741505 /nfs/dbraw/zinc/74/15/05/1274741505.db2.gz XJLDAQFSLGOHAP-CQSZACIVSA-N 2 0 351.499 0.686 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)c1 ZINC001577690868 1274752127 /nfs/dbraw/zinc/75/21/27/1274752127.db2.gz AGSBPTTUUDJNST-OAHLLOKOSA-N 2 0 350.463 0.795 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH3+])C1)C(C)C ZINC001577731421 1274807922 /nfs/dbraw/zinc/80/79/22/1274807922.db2.gz PTNQBOKJFJJWAI-LSDHHAIUSA-N 2 0 365.526 0.930 20 0 FCADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755607 1274835695 /nfs/dbraw/zinc/83/56/95/1274835695.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 0 358.490 0.898 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577770197 1274855996 /nfs/dbraw/zinc/85/59/96/1274855996.db2.gz BYXHKZLFEVQMJJ-HUUCEWRRSA-N 2 0 361.494 0.422 20 0 FCADRP CC[NH+]1CCN(CCCn2c([C@@H]3CCC[NH2+]C3)nnc2N(C)OC)CC1 ZINC001577778330 1274870472 /nfs/dbraw/zinc/87/04/72/1274870472.db2.gz SXRYBHSJZQYOMH-MRXNPFEDSA-N 2 0 365.526 0.770 20 0 FCADRP CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001577778263 1274871240 /nfs/dbraw/zinc/87/12/40/1274871240.db2.gz OVQZVXTVZVVTDQ-NVXWUHKLSA-N 2 0 361.538 0.967 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001577778233 1274871576 /nfs/dbraw/zinc/87/15/76/1274871576.db2.gz NNTINYUTAATRNH-HZPDHXFCSA-N 2 0 355.527 0.816 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2cnnn2C)C[C@@H]1C ZINC001577780760 1274875635 /nfs/dbraw/zinc/87/56/35/1274875635.db2.gz FHYCSVAXDFJQDH-MELADBBJSA-N 2 0 359.482 0.190 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@H]1C ZINC001577782308 1274876027 /nfs/dbraw/zinc/87/60/27/1274876027.db2.gz YTXLRYXWUYMHPO-HUUCEWRRSA-N 2 0 373.509 0.452 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@@H]1C ZINC001577782306 1274876084 /nfs/dbraw/zinc/87/60/84/1274876084.db2.gz YTXLRYXWUYMHPO-GJZGRUSLSA-N 2 0 373.509 0.452 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001577833960 1274947936 /nfs/dbraw/zinc/94/79/36/1274947936.db2.gz AQHJTCLVSRZLEZ-INIZCTEOSA-N 2 0 353.511 0.605 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577849408 1274983930 /nfs/dbraw/zinc/98/39/30/1274983930.db2.gz MDYGMBQYJDMZCL-UHFFFAOYSA-N 2 0 360.466 0.888 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577852008 1274994512 /nfs/dbraw/zinc/99/45/12/1274994512.db2.gz HXYFPLDHOGKSOJ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852287 1274995195 /nfs/dbraw/zinc/99/51/95/1274995195.db2.gz NVILVGRXRPTTOA-KGLIPLIRSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577855740 1275008402 /nfs/dbraw/zinc/00/84/02/1275008402.db2.gz OTSAFVMQYYPNQX-UHFFFAOYSA-N 2 0 358.450 0.561 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577860158 1275021225 /nfs/dbraw/zinc/02/12/25/1275021225.db2.gz SEIVVUNQMKRSFC-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001577861656 1275027416 /nfs/dbraw/zinc/02/74/16/1275027416.db2.gz YYPWZXFBCUSJMI-GDBMZVCRSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577863756 1275038301 /nfs/dbraw/zinc/03/83/01/1275038301.db2.gz ZJDLGUZIVKTJJE-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866113 1275043588 /nfs/dbraw/zinc/04/35/88/1275043588.db2.gz ADKKCFLBPCZLNW-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869819 1275054686 /nfs/dbraw/zinc/05/46/86/1275054686.db2.gz YHLCZNBUCGHWBG-HDJSIYSDSA-N 2 0 372.477 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577869726 1275055472 /nfs/dbraw/zinc/05/54/72/1275055472.db2.gz RLIYEMGTIWVUDK-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882373 1275080907 /nfs/dbraw/zinc/08/09/07/1275080907.db2.gz AZVTXCDHAFSROB-KGLIPLIRSA-N 2 0 372.477 0.532 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577885649 1275088742 /nfs/dbraw/zinc/08/87/42/1275088742.db2.gz IYXYVPUNRDSSDW-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577885497 1275089086 /nfs/dbraw/zinc/08/90/86/1275089086.db2.gz FEBONTZRVMBQNB-OCCSQVGLSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577888687 1275095311 /nfs/dbraw/zinc/09/53/11/1275095311.db2.gz SVCLEEBMTPCNOA-HNNXBMFYSA-N 2 0 374.493 0.968 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577892847 1275102529 /nfs/dbraw/zinc/10/25/29/1275102529.db2.gz UIZXEOZEWBOJRW-HIFRSBDPSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577902405 1275111943 /nfs/dbraw/zinc/11/19/43/1275111943.db2.gz DFAPJJHYXBBPCM-DGCLKSJQSA-N 2 0 364.429 0.280 20 0 FCADRP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577947110 1275166224 /nfs/dbraw/zinc/16/62/24/1275166224.db2.gz UFABINQCWRBWHO-OAHLLOKOSA-N 2 0 372.477 0.997 20 0 FCADRP CCN(CCNC(=O)C[N@H+](C)C(C)C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577994083 1275243710 /nfs/dbraw/zinc/24/37/10/1275243710.db2.gz NJUHMLNFJDZPEO-UHFFFAOYSA-N 2 0 360.466 0.853 20 0 FCADRP CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578004927 1275265813 /nfs/dbraw/zinc/26/58/13/1275265813.db2.gz WSPIFBAWVWOYFA-CYBMUJFWSA-N 2 0 372.477 0.854 20 0 FCADRP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001578181179 1275470294 /nfs/dbraw/zinc/47/02/94/1275470294.db2.gz HMVFRWUHGIIZCA-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578218968 1275511981 /nfs/dbraw/zinc/51/19/81/1275511981.db2.gz AQJFBOGHKUESCV-INIZCTEOSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220871 1275518262 /nfs/dbraw/zinc/51/82/62/1275518262.db2.gz BHOBMWRHENMQOZ-SWLSCSKDSA-N 2 0 358.450 0.475 20 0 FCADRP CCc1nnc(N2CC[C@@H](C[NH2+]C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001578311591 1275650947 /nfs/dbraw/zinc/65/09/47/1275650947.db2.gz IONDLNDWDBHNMH-HOTGVXAUSA-N 2 0 350.511 0.855 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578397761 1275772627 /nfs/dbraw/zinc/77/26/27/1275772627.db2.gz XFHKOIKWBWEPNC-HZPDHXFCSA-N 2 0 353.511 0.618 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC001578399018 1275773993 /nfs/dbraw/zinc/77/39/93/1275773993.db2.gz NALIWTVHNGPWGY-OAHLLOKOSA-N 2 0 353.511 0.700 20 0 FCADRP Cn1cc(-c2nnc(N3CC[NH2+]CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cn1 ZINC001578409025 1275780968 /nfs/dbraw/zinc/78/09/68/1275780968.db2.gz SNNWIBOPOZVLGS-HNNXBMFYSA-N 2 0 370.461 0.984 20 0 FCADRP C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCC([NH3+])CC1 ZINC001578419625 1275787380 /nfs/dbraw/zinc/78/73/80/1275787380.db2.gz WPIKEDXVMWJKTM-CQSZACIVSA-N 2 0 352.483 0.288 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)c2cn(C3C[NH2+]C3)nn2)cc1 ZINC001578419239 1275787438 /nfs/dbraw/zinc/78/74/38/1275787438.db2.gz MJUHSELIOQVDAS-UHFFFAOYSA-N 2 0 358.446 0.335 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001578420208 1275788433 /nfs/dbraw/zinc/78/84/33/1275788433.db2.gz ZRJPYSLCVFJMSL-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452116 1275847523 /nfs/dbraw/zinc/84/75/23/1275847523.db2.gz OUDAHGBKJHPKFY-RYUDHWBXSA-N 2 0 350.385 0.279 20 0 FCADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452115 1275848382 /nfs/dbraw/zinc/84/83/82/1275848382.db2.gz OUDAHGBKJHPKFY-NWDGAFQWSA-N 2 0 350.385 0.279 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578525998 1275959755 /nfs/dbraw/zinc/95/97/55/1275959755.db2.gz WPZXJOJIQJKNMX-APWZRJJASA-N 2 0 371.489 0.116 20 0 FCADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529745 1275961216 /nfs/dbraw/zinc/96/12/16/1275961216.db2.gz ZHRPTHUTVZXIML-IRXDYDNUSA-N 2 0 356.470 0.798 20 0 FCADRP C[NH2+][C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)CCOC)C1 ZINC001578601278 1276033693 /nfs/dbraw/zinc/03/36/93/1276033693.db2.gz AYBXXBVHRFRJLZ-HZPDHXFCSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001578654515 1276105419 /nfs/dbraw/zinc/10/54/19/1276105419.db2.gz RKDLVUFJHQUWCB-IAGOWNOFSA-N 2 0 353.511 0.034 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)C1 ZINC001578669920 1276123384 /nfs/dbraw/zinc/12/33/84/1276123384.db2.gz UJYCLHRSBOZUNA-LSDHHAIUSA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+]CCCn1c(C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001578691075 1276149018 /nfs/dbraw/zinc/14/90/18/1276149018.db2.gz IJIUSHLTGKHDFN-UHFFFAOYSA-N 2 0 360.510 0.993 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001578841296 1276359568 /nfs/dbraw/zinc/35/95/68/1276359568.db2.gz BLQULEPWJAILAH-KQVLKZGSSA-N 2 0 350.463 0.535 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C2 ZINC001578843477 1276364021 /nfs/dbraw/zinc/36/40/21/1276364021.db2.gz VUVKCXWBWAIWPC-DLTLXFJOSA-N 2 0 370.519 0.346 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)C2 ZINC001578843246 1276364122 /nfs/dbraw/zinc/36/41/22/1276364122.db2.gz XLJFXSQJOJAVCJ-BFQNTYOBSA-N 2 0 371.434 0.185 20 0 FCADRP CO[C@H]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936587 1276479724 /nfs/dbraw/zinc/47/97/24/1276479724.db2.gz WCXFPLTUPUVXHU-SJORKVTESA-N 2 0 359.474 0.313 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578962166 1276505328 /nfs/dbraw/zinc/50/53/28/1276505328.db2.gz HVSCKMOZCRRSBQ-ZDUSSCGKSA-N 2 0 370.461 0.428 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578970994 1276514191 /nfs/dbraw/zinc/51/41/91/1276514191.db2.gz QBNYBAAMBMNTAB-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578970995 1276514534 /nfs/dbraw/zinc/51/45/34/1276514534.db2.gz QBNYBAAMBMNTAB-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578973805 1276521058 /nfs/dbraw/zinc/52/10/58/1276521058.db2.gz BWAVXVNSCCIJTL-OAHLLOKOSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578974578 1276522354 /nfs/dbraw/zinc/52/23/54/1276522354.db2.gz PLZFYRILOSRQOX-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578974016 1276522905 /nfs/dbraw/zinc/52/29/05/1276522905.db2.gz GULGIPYWCNQJFU-LBPRGKRZSA-N 2 0 363.491 0.818 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578974990 1276523891 /nfs/dbraw/zinc/52/38/91/1276523891.db2.gz ZSWAOBSEQYGWRP-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578975627 1276525786 /nfs/dbraw/zinc/52/57/86/1276525786.db2.gz CCRLXUZZJJNMHN-GOSISDBHSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578976093 1276526281 /nfs/dbraw/zinc/52/62/81/1276526281.db2.gz NEUJXCICKGLMRA-NVXWUHKLSA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578976799 1276529824 /nfs/dbraw/zinc/52/98/24/1276529824.db2.gz FWHRHIILKDACLA-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578977278 1276531593 /nfs/dbraw/zinc/53/15/93/1276531593.db2.gz KXMYWZDECWPJDS-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP COC[C@]1(C[NH+](C)C)COCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC001578981114 1276542451 /nfs/dbraw/zinc/54/24/51/1276542451.db2.gz RIHRIBSAWBMUMA-PBDXBIJPSA-N 2 0 353.507 0.946 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578984237 1276549530 /nfs/dbraw/zinc/54/95/30/1276549530.db2.gz XWKSQHJYXXXNCN-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578983711 1276550173 /nfs/dbraw/zinc/55/01/73/1276550173.db2.gz PDFIDRYUJLLGMX-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578988290 1276562277 /nfs/dbraw/zinc/56/22/77/1276562277.db2.gz UFIDFHROKAPDMQ-JOCQHMNTSA-N 2 0 361.425 0.694 20 0 FCADRP COC[C@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578990308 1276563665 /nfs/dbraw/zinc/56/36/65/1276563665.db2.gz QOZQNVLHNAXVCE-AFIMGQEJSA-N 2 0 364.494 0.022 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579010996 1276585742 /nfs/dbraw/zinc/58/57/42/1276585742.db2.gz RKXRTXLNRMTPJE-HAQNSBGRSA-N 2 0 356.434 0.227 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001579151062 1276885945 /nfs/dbraw/zinc/88/59/45/1276885945.db2.gz OOCPZTPYHRJVLQ-HNNXBMFYSA-N 2 0 370.461 0.498 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001579206520 1276996901 /nfs/dbraw/zinc/99/69/01/1276996901.db2.gz HPHBSCPMSMFFDE-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP COc1cccc(C[C@@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[NH2+]2)c1 ZINC001579274261 1277081139 /nfs/dbraw/zinc/08/11/39/1277081139.db2.gz RNRYPMACLWCKSY-OAHLLOKOSA-N 2 0 358.446 0.292 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325159 1277142708 /nfs/dbraw/zinc/14/27/08/1277142708.db2.gz AZPFCQAVPGZKEK-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325156 1277142824 /nfs/dbraw/zinc/14/28/24/1277142824.db2.gz AZPFCQAVPGZKEK-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579327836 1277154079 /nfs/dbraw/zinc/15/40/79/1277154079.db2.gz XYEHDTINSHISAQ-CQSZACIVSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327892 1277155472 /nfs/dbraw/zinc/15/54/72/1277155472.db2.gz YKFFTTQOYOVANM-CVEARBPZSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001579331506 1277162761 /nfs/dbraw/zinc/16/27/61/1277162761.db2.gz FCKGSWNCOPTYPX-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001579331727 1277162827 /nfs/dbraw/zinc/16/28/27/1277162827.db2.gz HDZSPBLPWMSMKT-NSHDSACASA-N 2 0 361.475 0.618 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333360 1277169056 /nfs/dbraw/zinc/16/90/56/1277169056.db2.gz QEHDLNDTLBMGSE-DOTOQJQBSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339966 1277185559 /nfs/dbraw/zinc/18/55/59/1277185559.db2.gz OQFYVUCGLSMBAF-CQDKDKBSSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341465 1277189181 /nfs/dbraw/zinc/18/91/81/1277189181.db2.gz MSAKPZXILVNVDC-KGLIPLIRSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001579358365 1277226757 /nfs/dbraw/zinc/22/67/57/1277226757.db2.gz CNHYHILRXDZEOO-OAHLLOKOSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359296 1277231082 /nfs/dbraw/zinc/23/10/82/1277231082.db2.gz RWOMVIUBZNJWNQ-INIZCTEOSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359769 1277233212 /nfs/dbraw/zinc/23/32/12/1277233212.db2.gz CQXSQAXIGGOKSB-XEZPLFJOSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363121 1277241240 /nfs/dbraw/zinc/24/12/40/1277241240.db2.gz WCZXGOGHGVFPIV-LZWOXQAQSA-N 2 0 373.436 0.837 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCSCC2)CC[NH2+]1 ZINC001579448651 1277340107 /nfs/dbraw/zinc/34/01/07/1277340107.db2.gz XEHFXDXFEDMVHC-HUUCEWRRSA-N 2 0 366.535 0.977 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CCC[NH+](C)C ZINC001580276945 1278072117 /nfs/dbraw/zinc/07/21/17/1278072117.db2.gz OTUCPMIGUXMENV-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001580867563 1279070553 /nfs/dbraw/zinc/07/05/53/1279070553.db2.gz KHYNAEOKEBECBN-IRXDYDNUSA-N 2 0 359.536 0.817 20 0 FCADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001580867561 1279071262 /nfs/dbraw/zinc/07/12/62/1279071262.db2.gz KHYNAEOKEBECBN-DLBZAZTESA-N 2 0 359.536 0.817 20 0 FCADRP O=S(=O)(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001580869786 1279072378 /nfs/dbraw/zinc/07/23/78/1279072378.db2.gz IGKGWFXPSSFGNB-DLBZAZTESA-N 2 0 353.488 0.425 20 0 FCADRP CC(C)[C@H](C(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001603200879 1287327919 /nfs/dbraw/zinc/32/79/19/1287327919.db2.gz NNWYLOOBZWUCBW-OAHLLOKOSA-N 2 0 360.466 0.530 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942065 1279150305 /nfs/dbraw/zinc/15/03/05/1279150305.db2.gz MKSOCDZAWNJDTF-CYBMUJFWSA-N 2 0 358.450 0.559 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942839 1279151160 /nfs/dbraw/zinc/15/11/60/1279151160.db2.gz SSGVJLRXSKUWRN-CQSZACIVSA-N 2 0 372.477 0.947 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955657 1279159863 /nfs/dbraw/zinc/15/98/63/1279159863.db2.gz ZCCCJRNGRIWWFE-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959674 1279163750 /nfs/dbraw/zinc/16/37/50/1279163750.db2.gz YYHODPPARWTDJT-MGPQQGTHSA-N 2 0 370.461 0.605 20 0 FCADRP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967483 1279168481 /nfs/dbraw/zinc/16/84/81/1279168481.db2.gz SZZIFWHEWCUANQ-DZGCQCFKSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987083 1279184059 /nfs/dbraw/zinc/18/40/59/1279184059.db2.gz FOUITEIKNQQUBB-NHYWBVRUSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987838 1279186562 /nfs/dbraw/zinc/18/65/62/1279186562.db2.gz FMNUUAVYUSKNDU-QWHCGFSZSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987826 1279187169 /nfs/dbraw/zinc/18/71/69/1279187169.db2.gz MPSGCZNOPHLPCG-BLLLJJGKSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988320 1279189044 /nfs/dbraw/zinc/18/90/44/1279189044.db2.gz IQPZOFYKGSKOTQ-QWHCGFSZSA-N 2 0 360.466 0.637 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989482 1279189982 /nfs/dbraw/zinc/18/99/82/1279189982.db2.gz NPKQCMZBKWQTMW-OLZOCXBDSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990713 1279192797 /nfs/dbraw/zinc/19/27/97/1279192797.db2.gz HMEHLHJIQWNFRG-OCCSQVGLSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990707 1279193267 /nfs/dbraw/zinc/19/32/67/1279193267.db2.gz HISFYAVEPVHWJS-IUODEOHRSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990708 1279193534 /nfs/dbraw/zinc/19/35/34/1279193534.db2.gz HISFYAVEPVHWJS-SWLSCSKDSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)C[NH+]2CCCC2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993196 1279197708 /nfs/dbraw/zinc/19/77/08/1279197708.db2.gz GNHANUNXIFOAEY-MRXNPFEDSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995430 1279205605 /nfs/dbraw/zinc/20/56/05/1279205605.db2.gz HIOXAAASUFGROY-AWEZNQCLSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC2(CNC(=O)C[NH+]3CCCC3)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580999849 1279214988 /nfs/dbraw/zinc/21/49/88/1279214988.db2.gz RXZMAHKAPDJVPE-UHFFFAOYSA-N 2 0 370.461 0.539 20 0 FCADRP Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002387 1279218272 /nfs/dbraw/zinc/21/82/72/1279218272.db2.gz PRTKHDSDMDAYHW-ZIAGYGMSSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002675 1279218449 /nfs/dbraw/zinc/21/84/49/1279218449.db2.gz UXQJGHVQWDVESS-QWHCGFSZSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008550 1279232625 /nfs/dbraw/zinc/23/26/25/1279232625.db2.gz LPAAQSWMGKQQBK-MLGOLLRUSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009558 1279233626 /nfs/dbraw/zinc/23/36/26/1279233626.db2.gz YDMVYMABUCMZQH-NHYWBVRUSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011760 1279238132 /nfs/dbraw/zinc/23/81/32/1279238132.db2.gz OFKWRPVPURMAJU-BFHYXJOUSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013861 1279240887 /nfs/dbraw/zinc/24/08/87/1279240887.db2.gz YAJWDUFPQWDXFT-ZDUSSCGKSA-N 2 0 360.466 0.593 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)CCC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016728 1279246292 /nfs/dbraw/zinc/24/62/92/1279246292.db2.gz QTUFUXMIBHLTBU-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581020660 1279251994 /nfs/dbraw/zinc/25/19/94/1279251994.db2.gz IPOMRPFQBLYVII-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022200 1279253498 /nfs/dbraw/zinc/25/34/98/1279253498.db2.gz WPZLNTWDVSKXPZ-CQSZACIVSA-N 2 0 370.461 0.491 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024575 1279256899 /nfs/dbraw/zinc/25/68/99/1279256899.db2.gz JASLTBVXDOOOQC-BLLLJJGKSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026735 1279259446 /nfs/dbraw/zinc/25/94/46/1279259446.db2.gz JBBTWUHCFJJCKM-UHFFFAOYSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027226 1279260929 /nfs/dbraw/zinc/26/09/29/1279260929.db2.gz NNHCVHCVUSXCDN-HNNXBMFYSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026979 1279261693 /nfs/dbraw/zinc/26/16/93/1279261693.db2.gz PHVIHYLYJUBEHL-GFCCVEGCSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034654 1279271735 /nfs/dbraw/zinc/27/17/35/1279271735.db2.gz ATYBLQRWXZKZPZ-HUUCEWRRSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038477 1279275011 /nfs/dbraw/zinc/27/50/11/1279275011.db2.gz NMSILTFWCCHLHG-JOCQHMNTSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039347 1279278076 /nfs/dbraw/zinc/27/80/76/1279278076.db2.gz UYFJOXKBWXRLKQ-JOCQHMNTSA-N 2 0 370.461 0.393 20 0 FCADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603481266 1287386591 /nfs/dbraw/zinc/38/65/91/1287386591.db2.gz NQGMVGUMLNWOGC-CQSZACIVSA-N 2 0 372.477 0.866 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001716731869 1287388728 /nfs/dbraw/zinc/38/87/28/1287388728.db2.gz QBHFZQNNTMLBIJ-GPMSIDNRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](CN(C)C(=O)CCCC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603501010 1287393303 /nfs/dbraw/zinc/39/33/03/1287393303.db2.gz HTBVPXXOPREEKD-CYBMUJFWSA-N 2 0 360.466 0.674 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582097285 1281051763 /nfs/dbraw/zinc/05/17/63/1281051763.db2.gz CAUWZZDPZROEJO-KRWDZBQOSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582097680 1281051998 /nfs/dbraw/zinc/05/19/98/1281051998.db2.gz KEWMMKNOCVLIAR-CYBMUJFWSA-N 2 0 356.434 0.182 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582098008 1281053189 /nfs/dbraw/zinc/05/31/89/1281053189.db2.gz XVBCBENVHUFVNM-MRXNPFEDSA-N 2 0 355.446 0.653 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582100247 1281056657 /nfs/dbraw/zinc/05/66/57/1281056657.db2.gz BMPLYFWWMSHQNR-OKILXGFUSA-N 2 0 373.436 0.838 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582100750 1281056744 /nfs/dbraw/zinc/05/67/44/1281056744.db2.gz MYZFGWVVZXQVSJ-TXEJJXNPSA-N 2 0 361.475 0.761 20 0 FCADRP O=C(N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001582211146 1281192533 /nfs/dbraw/zinc/19/25/33/1281192533.db2.gz GEASMEGTEHOFDK-ZDUSSCGKSA-N 2 0 368.445 0.325 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001603905109 1287528097 /nfs/dbraw/zinc/52/80/97/1287528097.db2.gz FXNOAAJPGOXJNF-MGPQQGTHSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001583001611 1282061946 /nfs/dbraw/zinc/06/19/46/1282061946.db2.gz KWJGJUXOTRAKHT-IXDOHACOSA-N 2 0 368.522 0.186 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001604270451 1287596102 /nfs/dbraw/zinc/59/61/02/1287596102.db2.gz FBXPWQFZIFKYNU-INIZCTEOSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)(Cc1ccc(-c2nn[nH]n2)cc1)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001589307296 1282834906 /nfs/dbraw/zinc/83/49/06/1282834906.db2.gz QKAFMGSFQHUVEY-HNNXBMFYSA-N 2 0 371.489 0.975 20 0 FCADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001589418384 1282877589 /nfs/dbraw/zinc/87/75/89/1282877589.db2.gz QFFBDVNLVZMSKK-OAHLLOKOSA-N 2 0 363.441 0.798 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589676589 1282934664 /nfs/dbraw/zinc/93/46/64/1282934664.db2.gz FCTXTCJLDMUCTK-SNAWJCMRSA-N 2 0 357.462 0.969 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001589814005 1283041626 /nfs/dbraw/zinc/04/16/26/1283041626.db2.gz KTNHRBAMFRNTAH-ZDUSSCGKSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC[NH+](C)C ZINC001589830893 1283070835 /nfs/dbraw/zinc/07/08/35/1283070835.db2.gz RYZCQGDBQBYWIM-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001589849912 1283084689 /nfs/dbraw/zinc/08/46/89/1283084689.db2.gz WJTMGKBKNVBNMC-CQSZACIVSA-N 2 0 372.477 0.421 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590226681 1283357182 /nfs/dbraw/zinc/35/71/82/1283357182.db2.gz FGQJDLGBFLYDJJ-STQMWFEESA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001590270798 1283396366 /nfs/dbraw/zinc/39/63/66/1283396366.db2.gz NGVZRIJNDWQKAF-GFCCVEGCSA-N 2 0 361.425 0.553 20 0 FCADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001590370884 1283505505 /nfs/dbraw/zinc/50/55/05/1283505505.db2.gz XYMCSQWPTOAYQT-HNNXBMFYSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001590370885 1283506064 /nfs/dbraw/zinc/50/60/64/1283506064.db2.gz XYMCSQWPTOAYQT-OAHLLOKOSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001719066781 1287648943 /nfs/dbraw/zinc/64/89/43/1287648943.db2.gz UFDZFCVHPUNMEB-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](Cn1ccnc1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001682613314 1283717724 /nfs/dbraw/zinc/71/77/24/1283717724.db2.gz YGUYHZRVBPZJSU-INIZCTEOSA-N 2 0 364.494 0.367 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)C1 ZINC001682657676 1283741218 /nfs/dbraw/zinc/74/12/18/1283741218.db2.gz DWCZINZVRPVMIO-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001683246507 1283907798 /nfs/dbraw/zinc/90/77/98/1283907798.db2.gz IAMRETJCHYXPNX-HZPDHXFCSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591012981 1284073736 /nfs/dbraw/zinc/07/37/36/1284073736.db2.gz OUFPKJKANOBMNZ-ONEGZZNKSA-N 2 0 369.473 0.971 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)C[NH+]1CCCC1 ZINC001591102200 1284171596 /nfs/dbraw/zinc/17/15/96/1284171596.db2.gz XYHWKNQURNEDCK-UHFFFAOYSA-N 2 0 361.425 0.650 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001591172897 1284260569 /nfs/dbraw/zinc/26/05/69/1284260569.db2.gz MXPWDHALUUHDRD-AWEZNQCLSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591174577 1284262231 /nfs/dbraw/zinc/26/22/31/1284262231.db2.gz WWCIVHUJPLAKPU-LBPRGKRZSA-N 2 0 356.434 0.298 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175135 1284262760 /nfs/dbraw/zinc/26/27/60/1284262760.db2.gz HXLYYEVLXCNGKO-AWEZNQCLSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175341 1284267955 /nfs/dbraw/zinc/26/79/55/1284267955.db2.gz LOOKPUWGVVKOMV-XVWMLYKFSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001591176666 1284270222 /nfs/dbraw/zinc/27/02/22/1284270222.db2.gz SIPZNDLXUKUEFI-GFCCVEGCSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176257 1284271789 /nfs/dbraw/zinc/27/17/89/1284271789.db2.gz MLIHRNZFAUEQKO-KZSQQDEKSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187354 1284299278 /nfs/dbraw/zinc/29/92/78/1284299278.db2.gz QRBAMLPZLIMXFE-IBUXWKBASA-N 2 0 361.475 0.784 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591187528 1284302478 /nfs/dbraw/zinc/30/24/78/1284302478.db2.gz XXRDTLXPRRGNJT-DJIMGWMZSA-N 2 0 369.473 0.945 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683828 1287730419 /nfs/dbraw/zinc/73/04/19/1287730419.db2.gz NYDHLCRAWSBYJQ-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH2+]C1CC1 ZINC001604686759 1287733334 /nfs/dbraw/zinc/73/33/34/1287733334.db2.gz QUQIHHOXDOFXFF-UHFFFAOYSA-N 2 0 372.477 0.692 20 0 FCADRP Fc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(-c2nn[nH]n2)c1 ZINC001592651263 1285561840 /nfs/dbraw/zinc/56/18/40/1285561840.db2.gz UBTWHCRKDWVGBS-UHFFFAOYSA-N 2 0 360.441 0.033 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)N1CC[NH2+]CC1 ZINC001592783302 1285705320 /nfs/dbraw/zinc/70/53/20/1285705320.db2.gz HMESJMBBUZJHFQ-MRXNPFEDSA-N 2 0 355.446 0.511 20 0 FCADRP O=C(CC[NH+]1CCCCC1)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592845258 1285752819 /nfs/dbraw/zinc/75/28/19/1285752819.db2.gz VYUUWTFDDGCXEQ-IHWYPQMZSA-N 2 0 370.461 0.644 20 0 FCADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592865186 1285772634 /nfs/dbraw/zinc/77/26/34/1285772634.db2.gz MKQVSAPRQYFSHW-UHFFFAOYSA-N 2 0 361.425 0.698 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)[NH+](C)C ZINC001702669125 1285780397 /nfs/dbraw/zinc/78/03/97/1285780397.db2.gz SHSQBFJEGQTWST-RYRKJORJSA-N 2 0 352.523 0.831 20 0 FCADRP O=C(NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001593047165 1285938541 /nfs/dbraw/zinc/93/85/41/1285938541.db2.gz BPMIBFBKQKESQU-ONEGZZNKSA-N 2 0 367.457 0.725 20 0 FCADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505705 1286184578 /nfs/dbraw/zinc/18/45/78/1286184578.db2.gz PBGYOVYAAPDFMB-HIFRSBDPSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593505976 1286186495 /nfs/dbraw/zinc/18/64/95/1286186495.db2.gz UVEHGBYOCDUVTC-KBXCAEBGSA-N 2 0 372.473 0.991 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001593511056 1286187811 /nfs/dbraw/zinc/18/78/11/1286187811.db2.gz FGMXKXQOJAIVLL-DZKIICNBSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001593512109 1286189625 /nfs/dbraw/zinc/18/96/25/1286189625.db2.gz QXHRSEUKCUYATC-CQSZACIVSA-N 2 0 358.446 0.682 20 0 FCADRP OC[C@@H]1CCC[NH+]1Cc1cc(C[N@H+]2CCC[C@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529622 1286193322 /nfs/dbraw/zinc/19/33/22/1286193322.db2.gz WCQKRICBMQAUTF-ROUUACIJSA-N 2 0 372.473 0.780 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707065815 1286435765 /nfs/dbraw/zinc/43/57/65/1286435765.db2.gz KCFLITFTWGOJDR-OVYGPGRDSA-N 2 0 352.523 0.972 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707221735 1287066854 /nfs/dbraw/zinc/06/68/54/1287066854.db2.gz RTYPRTZERRWHGI-CVEARBPZSA-N 2 0 350.507 0.587 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228509 1287077939 /nfs/dbraw/zinc/07/79/39/1287077939.db2.gz QLXGJASRMCFTIQ-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605697581 1288053430 /nfs/dbraw/zinc/05/34/30/1288053430.db2.gz MYTHLSGAUXKGOO-OAHLLOKOSA-N 2 0 370.461 0.703 20 0 FCADRP Cc1cc(N[C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605722637 1288061183 /nfs/dbraw/zinc/06/11/83/1288061183.db2.gz HANYIZOYHDHVKP-UONOGXRCSA-N 2 0 372.477 0.783 20 0 FCADRP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001606780689 1288512082 /nfs/dbraw/zinc/51/20/82/1288512082.db2.gz JWYJIUUTKJPXPC-MRXNPFEDSA-N 2 0 370.461 0.619 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001735756141 1288861339 /nfs/dbraw/zinc/86/13/39/1288861339.db2.gz RYDFKGKZRZTKQA-NUJGCVRESA-N 2 0 368.522 0.137 20 0 FCADRP CC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609229822 1289003469 /nfs/dbraw/zinc/00/34/69/1289003469.db2.gz YCBRQMPSRLTMGI-UHFFFAOYSA-N 2 0 372.477 0.694 20 0 FCADRP c1cc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)ccc1-c1nn[nH]n1 ZINC001609614415 1289264514 /nfs/dbraw/zinc/26/45/14/1289264514.db2.gz PFHLCBYYYVBIIK-KRWDZBQOSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912737 1289342154 /nfs/dbraw/zinc/34/21/54/1289342154.db2.gz SLXMDOGBBIZCNW-JQHSSLGASA-N 2 0 358.486 0.645 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001691917706 1289342885 /nfs/dbraw/zinc/34/28/85/1289342885.db2.gz MLICHUUBCANMFF-OWCLPIDISA-N 2 0 366.485 0.964 20 0 FCADRP Cn1nccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001691934899 1289345491 /nfs/dbraw/zinc/34/54/91/1289345491.db2.gz HFGUXSJXOXPCAL-JKSUJKDBSA-N 2 0 363.506 0.905 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691981595 1289357130 /nfs/dbraw/zinc/35/71/30/1289357130.db2.gz DFIHWDNQEHKGDS-BHYGNILZSA-N 2 0 351.495 0.679 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001692083613 1289389546 /nfs/dbraw/zinc/38/95/46/1289389546.db2.gz AFONUZKZYHCTBD-WBVHZDCISA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CCOCCO ZINC001692182022 1289420199 /nfs/dbraw/zinc/42/01/99/1289420199.db2.gz KABZIISEFAQANS-ZBFHGGJFSA-N 2 0 359.430 0.469 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001692281023 1289441425 /nfs/dbraw/zinc/44/14/25/1289441425.db2.gz OLGBVFDKAQCJHA-UAGQMJEPSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692289039 1289444972 /nfs/dbraw/zinc/44/49/72/1289444972.db2.gz IHRXEWXNONKSDS-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692289132 1289445026 /nfs/dbraw/zinc/44/50/26/1289445026.db2.gz KGVTWJVNDRPHJJ-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)Nc2nncs2)C2CC2)CC[N@@H+]1C ZINC001699576750 1289557928 /nfs/dbraw/zinc/55/79/28/1289557928.db2.gz PCHAQJJUPDWURK-RAIGVLPGSA-N 2 0 366.491 0.301 20 0 FCADRP CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001614036302 1289734594 /nfs/dbraw/zinc/73/45/94/1289734594.db2.gz IAVQPIXSDYYCBP-HZPDHXFCSA-N 2 0 350.511 0.949 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)CCC1 ZINC001739431809 1289973194 /nfs/dbraw/zinc/97/31/94/1289973194.db2.gz RHTNRMWDNFDVHF-HZPDHXFCSA-N 2 0 371.441 0.120 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001702311902 1290011224 /nfs/dbraw/zinc/01/12/24/1290011224.db2.gz CLCWNNKBAFZAGS-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC)[NH+](C)C ZINC001739594525 1290213827 /nfs/dbraw/zinc/21/38/27/1290213827.db2.gz VHPHGDSKILBHOO-QKPAOTATSA-N 2 0 356.511 0.255 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CCC)C[C@@H]1O ZINC001739663048 1290325957 /nfs/dbraw/zinc/32/59/57/1290325957.db2.gz BIVRROLGOJLNCP-ZACQAIPSSA-N 2 0 368.522 0.281 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001628009687 1290501105 /nfs/dbraw/zinc/50/11/05/1290501105.db2.gz PNFRRLADQXCNCK-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc(CO)ccc2F)CC[N@@H+]1C ZINC001754882586 1290635218 /nfs/dbraw/zinc/63/52/18/1290635218.db2.gz KGBRFHYMTYWUJM-RHSMWYFYSA-N 2 0 367.465 0.569 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001754952202 1290639056 /nfs/dbraw/zinc/63/90/56/1290639056.db2.gz VFCUWAOKOFZJIM-KBUPBQIOSA-N 2 0 367.494 0.047 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001755280981 1290643130 /nfs/dbraw/zinc/64/31/30/1290643130.db2.gz TZCJSTFMJSHMSW-UONOGXRCSA-N 2 0 351.499 0.515 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)C1 ZINC001757247395 1290750727 /nfs/dbraw/zinc/75/07/27/1290750727.db2.gz SMIWFCULLIPWDY-GVDBMIGSSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001653845139 1291372610 /nfs/dbraw/zinc/37/26/10/1291372610.db2.gz JHVYRNLRLQLEAM-AYBZRNKSSA-N 2 0 361.486 0.441 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC001656044627 1291495150 /nfs/dbraw/zinc/49/51/50/1291495150.db2.gz IGOLXUCTJKNASV-OAHLLOKOSA-N 2 0 364.490 0.675 20 0 FCADRP CCCc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001667827513 1291944728 /nfs/dbraw/zinc/94/47/28/1291944728.db2.gz TZZMOSWZYCUYBL-RBSFLKMASA-N 2 0 352.479 0.842 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001668400837 1291962663 /nfs/dbraw/zinc/96/26/63/1291962663.db2.gz XGWGDISQYAKIHT-ALOPSCKCSA-N 2 0 365.522 0.854 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001685620535 1292574794 /nfs/dbraw/zinc/57/47/94/1292574794.db2.gz ZJIDFVTUWDEJNC-OKZBNKHCSA-N 2 0 368.522 0.510 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001688903451 1294549387 /nfs/dbraw/zinc/54/93/87/1294549387.db2.gz IQUCDODUXQOCHO-MXASKKJJSA-N 2 0 350.507 0.679 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001689006950 1294564390 /nfs/dbraw/zinc/56/43/90/1294564390.db2.gz FVDZSQIGPMZMEX-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1OCC ZINC001689069776 1294592265 /nfs/dbraw/zinc/59/22/65/1294592265.db2.gz RLKKFTJTGZFTHT-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001689075866 1294595973 /nfs/dbraw/zinc/59/59/73/1294595973.db2.gz DEAYIRIUUBMEFB-NVXWUHKLSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001689075983 1294596469 /nfs/dbraw/zinc/59/64/69/1294596469.db2.gz IMGUZYUOKYVDJF-ZIAGYGMSSA-N 2 0 355.508 0.831 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689083824 1294602737 /nfs/dbraw/zinc/60/27/37/1294602737.db2.gz PPABDJQMYDVOMG-IKGGRYGDSA-N 2 0 366.506 0.156 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001689097011 1294615273 /nfs/dbraw/zinc/61/52/73/1294615273.db2.gz MXONXLPOIAYQJR-BPQIPLTHSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001689295370 1294718711 /nfs/dbraw/zinc/71/87/11/1294718711.db2.gz CJTOARJEKVGYSX-ILXRZTDVSA-N 2 0 370.469 0.394 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@@H](O)COCC(F)(F)F ZINC001689314586 1294737627 /nfs/dbraw/zinc/73/76/27/1294737627.db2.gz CHIAAEXRPOPJDM-UPJWGTAASA-N 2 0 355.401 0.457 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001689587638 1294799515 /nfs/dbraw/zinc/79/95/15/1294799515.db2.gz BBKROIIIDPKFDK-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001690060446 1294852219 /nfs/dbraw/zinc/85/22/19/1294852219.db2.gz WRWHUPQHDSOAKX-CEXWTWQISA-N 2 0 366.550 0.877 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001690623784 1294876967 /nfs/dbraw/zinc/87/69/67/1294876967.db2.gz WPQNNKHLYIGDQR-JQHSSLGASA-N 2 0 360.502 0.904 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001691786024 1294922702 /nfs/dbraw/zinc/92/27/02/1294922702.db2.gz MAPDDGZNEDCQAW-KBUPBQIOSA-N 2 0 360.462 0.240 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691834439 1294932961 /nfs/dbraw/zinc/93/29/61/1294932961.db2.gz JNURPNLAGYRFHC-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691837498 1294933305 /nfs/dbraw/zinc/93/33/05/1294933305.db2.gz DUJLTNXRJZJCTC-CVEARBPZSA-N 2 0 355.527 0.862 20 0 FCADRP C[C@@H]1CCN(C(=O)Cc2cncn2C)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691851135 1294943033 /nfs/dbraw/zinc/94/30/33/1294943033.db2.gz IKKXNEVFVCFXPP-ZBFHGGJFSA-N 2 0 362.478 0.205 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001164829475 720317739 /nfs/dbraw/zinc/31/77/39/720317739.db2.gz MQYLRVDYDIKGPT-MSOLQXFVSA-N 2 0 370.501 0.991 20 0 FCADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866621 721111043 /nfs/dbraw/zinc/11/10/43/721111043.db2.gz UGOSRUDTKNCJEV-ZWKOTPCHSA-N 2 0 366.469 0.997 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001164869359 721272561 /nfs/dbraw/zinc/27/25/61/721272561.db2.gz LOEHNORVXSGIPT-UHFFFAOYSA-N 2 0 374.489 0.087 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926028 721871542 /nfs/dbraw/zinc/87/15/42/721871542.db2.gz PYTANNMYYFEKRS-IAGOWNOFSA-N 2 0 359.522 0.619 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(c1cc(C3C[NH2+]C3)ncn1)CCC2 ZINC001165005022 722258150 /nfs/dbraw/zinc/25/81/50/722258150.db2.gz ZYVRTINMTBCHGL-UHFFFAOYSA-N 2 0 371.489 0.848 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070367450 837650056 /nfs/dbraw/zinc/65/00/56/837650056.db2.gz VSXQUIGDJYKNOS-NUJGCVRESA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC[NH+](C)CC3)n2)O1 ZINC001070575809 837659771 /nfs/dbraw/zinc/65/97/71/837659771.db2.gz PJHDEALZJLZHEO-UONOGXRCSA-N 2 0 350.467 0.592 20 0 FCADRP CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)[NH+]1CCCC1 ZINC001071075474 837725207 /nfs/dbraw/zinc/72/52/07/837725207.db2.gz DQKDAAPLOIOOAY-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC1 ZINC001071091690 837730344 /nfs/dbraw/zinc/73/03/44/837730344.db2.gz QVIIYOKZUORIOM-MJGOQNOKSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071098839 837733033 /nfs/dbraw/zinc/73/30/33/837733033.db2.gz LEGZIPHTZRPDMS-UAGQMJEPSA-N 2 0 351.491 0.449 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(=O)N(C)C)C3)CC[N@@H+]1C ZINC001072755116 837743779 /nfs/dbraw/zinc/74/37/79/837743779.db2.gz UCGDNSARXKTXDR-HRCADAONSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001073063327 837754911 /nfs/dbraw/zinc/75/49/11/837754911.db2.gz OTZUNTJUKAQAKF-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001100344948 844051960 /nfs/dbraw/zinc/05/19/60/844051960.db2.gz KHVULRHUQXQIOT-ARAOSMHQSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(C)C)C2)CC[N@@H+]1C ZINC001100345110 844052085 /nfs/dbraw/zinc/05/20/85/844052085.db2.gz PZFLJPAZRQNPKN-SJJHQCBESA-N 2 0 352.523 0.973 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177287 844090838 /nfs/dbraw/zinc/09/08/38/844090838.db2.gz YMIDJFHXXRPAFR-VCBZYWHSSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230776 844112131 /nfs/dbraw/zinc/11/21/31/844112131.db2.gz IWWNHHZRYJBBEW-MDZRGWNJSA-N 2 0 350.507 0.776 20 0 FCADRP O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000379845928 836049623 /nfs/dbraw/zinc/04/96/23/836049623.db2.gz FLAYQANRGWQTDL-QGZVFWFLSA-N 2 0 352.504 0.638 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257009 844122340 /nfs/dbraw/zinc/12/23/40/844122340.db2.gz CQCITNVSVXQDMY-NUJGCVRESA-N 2 0 359.486 0.456 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272583 844127529 /nfs/dbraw/zinc/12/75/29/844127529.db2.gz SNNHVPBCGNIFSP-AYBZRNKSSA-N 2 0 352.523 0.878 20 0 FCADRP C[NH+]1CCC(C(=O)NCC(C)(C)CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000746244362 836168179 /nfs/dbraw/zinc/16/81/79/836168179.db2.gz IYNBULBZTSQXLP-UHFFFAOYSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352630 844155830 /nfs/dbraw/zinc/15/58/30/844155830.db2.gz IDSQJFWUSPNQKK-MDZRGWNJSA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001101365998 844161967 /nfs/dbraw/zinc/16/19/67/844161967.db2.gz VRLQAMNJPBZKKZ-GJYPPUQNSA-N 2 0 352.523 0.975 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101398115 844173536 /nfs/dbraw/zinc/17/35/36/844173536.db2.gz YIRYRSNRNPCYQN-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC)C[C@@]2(C)C1)C(C)C ZINC001101396596 844173853 /nfs/dbraw/zinc/17/38/53/844173853.db2.gz BAFSQGVXDCRDNW-AYBZRNKSSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101400497 844174822 /nfs/dbraw/zinc/17/48/22/844174822.db2.gz YZYCEUCSEBWFOX-KHYOSLBOSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402494 844175025 /nfs/dbraw/zinc/17/50/25/844175025.db2.gz LNDXQLCJVLOQMB-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430253 844183984 /nfs/dbraw/zinc/18/39/84/844183984.db2.gz WAWDYOKBLFGITD-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461505 844193655 /nfs/dbraw/zinc/19/36/55/844193655.db2.gz GALGQXJACXFBKS-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC2)CC[N@@H+]1C ZINC001063365257 836765127 /nfs/dbraw/zinc/76/51/27/836765127.db2.gz OEYFUNMLNVDKDY-FVQBIDKESA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063721083 836783611 /nfs/dbraw/zinc/78/36/11/836783611.db2.gz DTNADZCBBMSYDP-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815587 844279556 /nfs/dbraw/zinc/27/95/56/844279556.db2.gz LUCOKYSDFYARCF-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418540 837998125 /nfs/dbraw/zinc/99/81/25/837998125.db2.gz COATZAOBIGCVGL-YESZJQIVSA-N 2 0 350.507 0.903 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077131561 838758207 /nfs/dbraw/zinc/75/82/07/838758207.db2.gz GERGEYNECADAIB-RCCFBDPRSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219542 838823105 /nfs/dbraw/zinc/82/31/05/838823105.db2.gz UDVCIDQVXAXCPI-BRWVUGGUSA-N 2 0 351.491 0.450 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047711 844394275 /nfs/dbraw/zinc/39/42/75/844394275.db2.gz QWRKLCCJMIDGGK-QGPMSJSTSA-N 2 0 352.523 0.878 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047604 844394765 /nfs/dbraw/zinc/39/47/65/844394765.db2.gz MUCUCBKUPLGQRD-KYJSFNMBSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047646 844394893 /nfs/dbraw/zinc/39/48/93/844394893.db2.gz OHETWIONLVMSMZ-FRFSOERESA-N 2 0 352.523 0.925 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051903 844397929 /nfs/dbraw/zinc/39/79/29/844397929.db2.gz SDDWHSVZEPIZMP-RBSFLKMASA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678940 839105899 /nfs/dbraw/zinc/10/58/99/839105899.db2.gz BYJBTGJGBVRUKH-KBAYOESNSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102071078 844404778 /nfs/dbraw/zinc/40/47/78/844404778.db2.gz BZYBTKIYRJDYOI-OAGGEKHMSA-N 2 0 361.552 0.691 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077923801 839234596 /nfs/dbraw/zinc/23/45/96/839234596.db2.gz FGNSHTLYRZVOJY-CGTJXYLNSA-N 2 0 353.507 0.695 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)OC)C[C@H]2O)o1 ZINC001078261832 839433090 /nfs/dbraw/zinc/43/30/90/839433090.db2.gz HVVVNXOZUXLOEG-NUEKZKHPSA-N 2 0 353.463 0.931 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270147 839503104 /nfs/dbraw/zinc/50/31/04/839503104.db2.gz DJITYNQBKZYCQV-IXDOHACOSA-N 2 0 351.491 0.260 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079806770 839598331 /nfs/dbraw/zinc/59/83/31/839598331.db2.gz WVCSVJGZDOFWQH-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370134 844477535 /nfs/dbraw/zinc/47/75/35/844477535.db2.gz SAJHJNPVTHXJSM-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369843 844477617 /nfs/dbraw/zinc/47/76/17/844477617.db2.gz IHXCOAAFIYJHHI-GVDBMIGSSA-N 2 0 352.523 0.879 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001080998772 839857725 /nfs/dbraw/zinc/85/77/25/839857725.db2.gz MWRYVXCOGCWVFD-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375748 844481021 /nfs/dbraw/zinc/48/10/21/844481021.db2.gz ZRJVDLZXSPLQCW-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670308 839994365 /nfs/dbraw/zinc/99/43/65/839994365.db2.gz NLPAOEOLTLPETA-KZNAEPCWSA-N 2 0 351.491 0.713 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433724 844497517 /nfs/dbraw/zinc/49/75/17/844497517.db2.gz DKRVFNWDLYAHFG-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102473985 844515599 /nfs/dbraw/zinc/51/55/99/844515599.db2.gz ZKWUAIUBNIHGFI-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486575 844522410 /nfs/dbraw/zinc/52/24/10/844522410.db2.gz LVCAHDTWAVDOEH-IIAWOOMASA-N 2 0 354.495 0.045 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102497157 844530948 /nfs/dbraw/zinc/53/09/48/844530948.db2.gz DEYMGBKRNLMQTM-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082448063 840415459 /nfs/dbraw/zinc/41/54/59/840415459.db2.gz BVNQODSDDHKHKR-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082557240 840463435 /nfs/dbraw/zinc/46/34/35/840463435.db2.gz UFSMGRQLLDWJCR-BRWVUGGUSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082561580 840466539 /nfs/dbraw/zinc/46/65/39/840466539.db2.gz CEZLXLAFSVZXJR-BFYDXBDKSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082562222 840466594 /nfs/dbraw/zinc/46/65/94/840466594.db2.gz YJQNROSVVAZOTJ-RHSMWYFYSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1)[NH+](C)C ZINC001082588960 840477366 /nfs/dbraw/zinc/47/73/66/840477366.db2.gz AEGJMTQMHWMTPC-BPLDGKMQSA-N 2 0 354.520 0.995 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082596275 840481777 /nfs/dbraw/zinc/48/17/77/840481777.db2.gz CJDXBQXKHHJZOG-OIISXLGYSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511502 844543366 /nfs/dbraw/zinc/54/33/66/844543366.db2.gz ZMDPOBAGMSCHAM-HUUCEWRRSA-N 2 0 356.511 0.163 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514026 844545716 /nfs/dbraw/zinc/54/57/16/844545716.db2.gz JTNXLQMIELVIDF-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514404 844546349 /nfs/dbraw/zinc/54/63/49/844546349.db2.gz WGSOBUFZUHPQBV-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515372 844546413 /nfs/dbraw/zinc/54/64/13/844546413.db2.gz QIIWTBXOLVUYBC-HZPDHXFCSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514849 844546505 /nfs/dbraw/zinc/54/65/05/844546505.db2.gz QFSCPOOZJNSOJC-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102514406 844546660 /nfs/dbraw/zinc/54/66/60/844546660.db2.gz WHMNBRKJOQWXDJ-ZIAGYGMSSA-N 2 0 369.428 0.828 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082719968 840536826 /nfs/dbraw/zinc/53/68/26/840536826.db2.gz ZJSBBXJGYOADKG-BFYDXBDKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520887 844550087 /nfs/dbraw/zinc/55/00/87/844550087.db2.gz GKABHWUTYOEDHW-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102524370 844552181 /nfs/dbraw/zinc/55/21/81/844552181.db2.gz BVLKBQCZDRHKHB-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082921651 840603515 /nfs/dbraw/zinc/60/35/15/840603515.db2.gz ZKSGTJKMQZFREC-BZUAXINKSA-N 2 0 357.520 0.344 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082941864 840615552 /nfs/dbraw/zinc/61/55/52/840615552.db2.gz QPQQQYVFYFCTRA-QLFBSQMISA-N 2 0 350.463 0.104 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)CC[N@@H+]1C ZINC001083086021 840698355 /nfs/dbraw/zinc/69/83/55/840698355.db2.gz ZLXVQRAJOVYUBR-NRSFXHEJSA-N 2 0 351.491 0.807 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106603 840715265 /nfs/dbraw/zinc/71/52/65/840715265.db2.gz LWKOXRVFBCITHZ-RYQLBKOJSA-N 2 0 351.491 0.809 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001083169002 840767474 /nfs/dbraw/zinc/76/74/74/840767474.db2.gz YBEVXNHVEKQWMY-OKZBNKHCSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578144 844572846 /nfs/dbraw/zinc/57/28/46/844572846.db2.gz NRYBXFXGOHWZLA-BZUAXINKSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579220 844572892 /nfs/dbraw/zinc/57/28/92/844572892.db2.gz NXKFJJVMVMZJGH-KURKYZTESA-N 2 0 353.507 0.962 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083182911 840780508 /nfs/dbraw/zinc/78/05/08/840780508.db2.gz CTJUNLNDTXVUSQ-RYQLBKOJSA-N 2 0 351.491 0.666 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274892 840855482 /nfs/dbraw/zinc/85/54/82/840855482.db2.gz FAWMUYJXQAVYSB-HRCADAONSA-N 2 0 364.515 0.857 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CCC1 ZINC001083274818 840856283 /nfs/dbraw/zinc/85/62/83/840856283.db2.gz AWEBJJQDQAWBJF-RCCFBDPRSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102601081 844592512 /nfs/dbraw/zinc/59/25/12/844592512.db2.gz JKCCSSYNXDFLOG-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601590 841221043 /nfs/dbraw/zinc/22/10/43/841221043.db2.gz CORBAFRWSOJHOH-ZACQAIPSSA-N 2 0 351.491 0.735 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001083696376 841326834 /nfs/dbraw/zinc/32/68/34/841326834.db2.gz XOAIRSAMUXKYTB-BACDZXNISA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1COC(C)(C)O1)C2 ZINC001275812757 861203699 /nfs/dbraw/zinc/20/36/99/861203699.db2.gz HZDODYZSGCYHMC-YJBOKZPZSA-N 2 0 355.479 0.250 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083833319 841478694 /nfs/dbraw/zinc/47/86/94/841478694.db2.gz UVDRMRFIUGIOHG-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001275834190 861219460 /nfs/dbraw/zinc/21/94/60/861219460.db2.gz ZOMLHWSBXOEVIE-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001275833443 861219770 /nfs/dbraw/zinc/21/97/70/861219770.db2.gz GSWSITRRIIGVGF-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001085319942 842075961 /nfs/dbraw/zinc/07/59/61/842075961.db2.gz WXWDBZSNPMIJCK-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087035048 842232550 /nfs/dbraw/zinc/23/25/50/842232550.db2.gz JPRQSNLWEWFZRE-QLFBSQMISA-N 2 0 350.467 0.160 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087059752 842255415 /nfs/dbraw/zinc/25/54/15/842255415.db2.gz SYAFLJVZVNCUAL-DJIMGWMZSA-N 2 0 350.463 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087062599 842258761 /nfs/dbraw/zinc/25/87/61/842258761.db2.gz NLUOGCKUBFEMON-FVQBIDKESA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087100351 842289176 /nfs/dbraw/zinc/28/91/76/842289176.db2.gz PSVFCOLHXHAEHY-RBSFLKMASA-N 2 0 367.519 0.751 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129603 842538744 /nfs/dbraw/zinc/53/87/44/842538744.db2.gz WMWHQUCGXZCALO-BBWFWOEESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001088317830 842568737 /nfs/dbraw/zinc/56/87/37/842568737.db2.gz PLIQJZYBPPHKJY-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCN1CCCC1=O ZINC001088836296 842690873 /nfs/dbraw/zinc/69/08/73/842690873.db2.gz OPFGPABXUKQQOU-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001091784057 843093584 /nfs/dbraw/zinc/09/35/84/843093584.db2.gz NWDWLTSFQWOEBS-APWZRJJASA-N 2 0 353.507 0.508 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910421 843122608 /nfs/dbraw/zinc/12/26/08/843122608.db2.gz WZVCKIVUZMODPD-KHYOSLBOSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070858 843153301 /nfs/dbraw/zinc/15/33/01/843153301.db2.gz AVXFYWWXJGLLMN-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071472 843153442 /nfs/dbraw/zinc/15/34/42/843153442.db2.gz XOUWZMZIORAIRS-MDZRGWNJSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157682 843166195 /nfs/dbraw/zinc/16/61/95/843166195.db2.gz LHDONRDIIZVMQG-APWZRJJASA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504916 843222181 /nfs/dbraw/zinc/22/21/81/843222181.db2.gz DAXCGWNCEHEVSS-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001092650834 843266301 /nfs/dbraw/zinc/26/63/01/843266301.db2.gz UAOJXRNVQIUOPB-YUELXQCFSA-N 2 0 364.515 0.996 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658456 843268843 /nfs/dbraw/zinc/26/88/43/843268843.db2.gz VWOQABCEGFPQLA-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672250 843271997 /nfs/dbraw/zinc/27/19/97/843271997.db2.gz XDKOQHKGBWVSHR-BRWVUGGUSA-N 2 0 352.523 0.737 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677126 843275091 /nfs/dbraw/zinc/27/50/91/843275091.db2.gz YZKVIEQYZGSKSZ-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001276309345 861405862 /nfs/dbraw/zinc/40/58/62/861405862.db2.gz WLQNBYQFRZWTKW-KZNAEPCWSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936700 843348620 /nfs/dbraw/zinc/34/86/20/843348620.db2.gz HMEYGJCGRYQRCD-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097519 843387592 /nfs/dbraw/zinc/38/75/92/843387592.db2.gz GRJONPSTXAWCDY-HLLBOEOZSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCF)nn3)C2)CC[N@@H+]1C ZINC001098673598 843928288 /nfs/dbraw/zinc/92/82/88/843928288.db2.gz RXMZNPWEMKLTNE-VNQPRFMTSA-N 2 0 352.458 0.841 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010927 843955805 /nfs/dbraw/zinc/95/58/05/843955805.db2.gz QCILMCOZLMCYPY-ALKREAHSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)CC[N@@H+]1C ZINC001103005226 844682886 /nfs/dbraw/zinc/68/28/86/844682886.db2.gz XWYYKQWCEYSTEJ-ZJPYXAASSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090556 844698673 /nfs/dbraw/zinc/69/86/73/844698673.db2.gz YFCIUMULBVVEFA-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103088189 844699156 /nfs/dbraw/zinc/69/91/56/844699156.db2.gz XBDXJFINVVBQRH-DDUZABMNSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103139889 844707107 /nfs/dbraw/zinc/70/71/07/844707107.db2.gz COFOJUGQOLFBKD-MGPQQGTHSA-N 2 0 352.483 0.023 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185939 844718712 /nfs/dbraw/zinc/71/87/12/844718712.db2.gz YZZYNZQVWGWMNQ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103250059 844727582 /nfs/dbraw/zinc/72/75/82/844727582.db2.gz ZRBFVDCNMMXVCT-QCZOYZIOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103367679 844744244 /nfs/dbraw/zinc/74/42/44/844744244.db2.gz DHRNCLNAYVCXJG-VSZNYVQBSA-N 2 0 355.523 0.800 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398064 844751235 /nfs/dbraw/zinc/75/12/35/844751235.db2.gz BCGXXRPCTNLSOB-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433964 844757381 /nfs/dbraw/zinc/75/73/81/844757381.db2.gz PLGXOONCYOGCFJ-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(CCC[NH+](C)C)C2 ZINC001276608814 861495835 /nfs/dbraw/zinc/49/58/35/861495835.db2.gz FFBRHJSGIZGQLE-MAUKXSAKSA-N 2 0 355.479 0.441 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103613943 844787598 /nfs/dbraw/zinc/78/75/98/844787598.db2.gz CPMOJKSIRGOXKS-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723479 844807149 /nfs/dbraw/zinc/80/71/49/844807149.db2.gz LRFAOSFYCUJCQT-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722524 844807267 /nfs/dbraw/zinc/80/72/67/844807267.db2.gz RCUSWVCXMSLMON-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103753338 844815591 /nfs/dbraw/zinc/81/55/91/844815591.db2.gz CSRPOPHCSDSVAE-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630365 861506638 /nfs/dbraw/zinc/50/66/38/861506638.db2.gz PKRMYQDHIFFBOG-VQIMIIECSA-N 2 0 350.507 0.526 20 0 FCADRP CCOCCN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630188 861506928 /nfs/dbraw/zinc/50/69/28/861506928.db2.gz LRYMAGKCMAAELN-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104291170 844890970 /nfs/dbraw/zinc/89/09/70/844890970.db2.gz KRUCEDOYXDSEAV-FVQBIDKESA-N 2 0 359.536 0.445 20 0 FCADRP CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(N)=O ZINC001104385461 844905345 /nfs/dbraw/zinc/90/53/45/844905345.db2.gz XCCDTXGCFWRPMC-BZUAXINKSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104599387 844924084 /nfs/dbraw/zinc/92/40/84/844924084.db2.gz NWXBQPMCCASYKJ-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621890 844926749 /nfs/dbraw/zinc/92/67/49/844926749.db2.gz NAZPCPBINALLPX-HUUCEWRRSA-N 2 0 351.499 0.780 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104621803 844927162 /nfs/dbraw/zinc/92/71/62/844927162.db2.gz LZFKFICLNPFXNQ-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001104690734 844933945 /nfs/dbraw/zinc/93/39/45/844933945.db2.gz IZTRXLRPQDURLT-MCIONIFRSA-N 2 0 352.483 0.023 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104809510 844946378 /nfs/dbraw/zinc/94/63/78/844946378.db2.gz JGDMTWXBMXQATC-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104809696 844946444 /nfs/dbraw/zinc/94/64/44/844946444.db2.gz OPYWSGGMRUEMBE-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104874623 844953887 /nfs/dbraw/zinc/95/38/87/844953887.db2.gz ZDYYCQIYHXNRPO-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001104908523 844958655 /nfs/dbraw/zinc/95/86/55/844958655.db2.gz ZZRJAKBWXSDRAR-OWCLPIDISA-N 2 0 356.511 0.116 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001105007585 844968332 /nfs/dbraw/zinc/96/83/32/844968332.db2.gz CBCZEODJVIPMER-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001105014647 844968829 /nfs/dbraw/zinc/96/88/29/844968829.db2.gz VEOWSLMFLJSSTE-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001105058357 844974905 /nfs/dbraw/zinc/97/49/05/844974905.db2.gz DQCGUODVLCVJBJ-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105642924 845007230 /nfs/dbraw/zinc/00/72/30/845007230.db2.gz OUOACZCGARFBQY-NNFUDEMPSA-N 2 0 355.523 0.675 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667277 845014015 /nfs/dbraw/zinc/01/40/15/845014015.db2.gz AFOFIIBBCBKPJK-PSBWJHGTSA-N 2 0 355.523 0.677 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106134291 845110953 /nfs/dbraw/zinc/11/09/53/845110953.db2.gz YMHQPCMHODKAFM-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145569 845113976 /nfs/dbraw/zinc/11/39/76/845113976.db2.gz BOYIXYSPCYLSCC-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148217 845115161 /nfs/dbraw/zinc/11/51/61/845115161.db2.gz JMHAJAATBPSPCQ-QBPKDAKJSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106198578 845129574 /nfs/dbraw/zinc/12/95/74/845129574.db2.gz FZCMTWGMTKHQHT-IIAWOOMASA-N 2 0 354.474 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106255971 845144033 /nfs/dbraw/zinc/14/40/33/845144033.db2.gz RZEQFWGZWMIQRF-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106272322 845146210 /nfs/dbraw/zinc/14/62/10/845146210.db2.gz XUZXKEPQDZQQHM-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCOCCO ZINC001106309504 845153275 /nfs/dbraw/zinc/15/32/75/845153275.db2.gz VHZMBWJOMQFDEF-IAGOWNOFSA-N 2 0 353.507 0.555 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106340110 845159105 /nfs/dbraw/zinc/15/91/05/845159105.db2.gz LZLCFHXWQRQYQS-HUUCEWRRSA-N 2 0 353.511 0.426 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106357534 845163253 /nfs/dbraw/zinc/16/32/53/845163253.db2.gz CMQPPRZZIGYNLR-ZACQAIPSSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)N(C)C ZINC001106370787 845165116 /nfs/dbraw/zinc/16/51/16/845165116.db2.gz AGJMHZZFADMBMI-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453023 845176861 /nfs/dbraw/zinc/17/68/61/845176861.db2.gz BNERIBLUOFYRDZ-QCZOYZIOSA-N 2 0 351.491 0.570 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106570852 845197165 /nfs/dbraw/zinc/19/71/65/845197165.db2.gz BOZPVNYPRXFCIE-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001106592363 845201849 /nfs/dbraw/zinc/20/18/49/845201849.db2.gz PLNHSNXCFDANMC-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106599192 845202349 /nfs/dbraw/zinc/20/23/49/845202349.db2.gz CIPGSXXINFFSSM-CHWSQXEVSA-N 2 0 368.507 0.503 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106594564 845203078 /nfs/dbraw/zinc/20/30/78/845203078.db2.gz VXOLLTFNGFHBMP-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1=O ZINC001106628226 845209765 /nfs/dbraw/zinc/20/97/65/845209765.db2.gz ICGRBDDPVBEVIK-ZIAGYGMSSA-N 2 0 351.447 0.784 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001106672027 845221676 /nfs/dbraw/zinc/22/16/76/845221676.db2.gz AJFNAWSZOGHHQZ-HUUCEWRRSA-N 2 0 350.511 0.977 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1)[NH+](C)C ZINC001106673864 845223607 /nfs/dbraw/zinc/22/36/07/845223607.db2.gz OAZUXWULGPWMKX-OIISXLGYSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001106728637 845236354 /nfs/dbraw/zinc/23/63/54/845236354.db2.gz MEICJMSMBWRHNI-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001106779504 845251024 /nfs/dbraw/zinc/25/10/24/845251024.db2.gz PLMGKEQYACMQNH-ZIAGYGMSSA-N 2 0 352.483 0.662 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106779955 845251149 /nfs/dbraw/zinc/25/11/49/845251149.db2.gz ZMQONRFUPQGAFB-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106785178 845253163 /nfs/dbraw/zinc/25/31/63/845253163.db2.gz YSUYVTIRRXIRHL-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1 ZINC001106840438 845265057 /nfs/dbraw/zinc/26/50/57/845265057.db2.gz MQTXBOHROYUWLK-ZIAGYGMSSA-N 2 0 353.467 0.742 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860261 845273281 /nfs/dbraw/zinc/27/32/81/845273281.db2.gz QCWGEBMYGKPMRF-RHSMWYFYSA-N 2 0 350.507 0.539 20 0 FCADRP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877878 845276891 /nfs/dbraw/zinc/27/68/91/845276891.db2.gz BUSIOWBWJXZMRS-HZPDHXFCSA-N 2 0 351.495 0.665 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106880584 845277666 /nfs/dbraw/zinc/27/76/66/845277666.db2.gz KVPZKSUYKPLYHQ-RBSFLKMASA-N 2 0 352.483 0.138 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001106878642 845277737 /nfs/dbraw/zinc/27/77/37/845277737.db2.gz UZQZKJXVFXTDHC-ZIAGYGMSSA-N 2 0 371.913 0.836 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884314 845278235 /nfs/dbraw/zinc/27/82/35/845278235.db2.gz CMACLGQEQMVWOU-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882007 845278280 /nfs/dbraw/zinc/27/82/80/845278280.db2.gz OMRMTOLIRSGLLH-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106910971 845284203 /nfs/dbraw/zinc/28/42/03/845284203.db2.gz YEMDDHRVJKOTAG-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442777 845373051 /nfs/dbraw/zinc/37/30/51/845373051.db2.gz OZWICXLSMYHKOE-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107451177 845375236 /nfs/dbraw/zinc/37/52/36/845375236.db2.gz QPKNQFPQCHNFCV-YQVWRLOYSA-N 2 0 353.507 0.840 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609209 845407338 /nfs/dbraw/zinc/40/73/38/845407338.db2.gz IGQMWTZSKJDAAH-GPMSIDNRSA-N 2 0 350.507 0.777 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632101 845412101 /nfs/dbraw/zinc/41/21/01/845412101.db2.gz QJNPGADAVNWPFY-ZHALLVOQSA-N 2 0 353.507 0.962 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643926 845414618 /nfs/dbraw/zinc/41/46/18/845414618.db2.gz YZWUIAXXIQBHTQ-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC1CC1)CC2 ZINC001107646607 845415045 /nfs/dbraw/zinc/41/50/45/845415045.db2.gz MOTXSOGLEFERHX-VQIMIIECSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902549 845756662 /nfs/dbraw/zinc/75/66/62/845756662.db2.gz PMGKXXFVNMUJAR-LMSBXDPUSA-N 2 0 353.507 0.980 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110115369 845798307 /nfs/dbraw/zinc/79/83/07/845798307.db2.gz VCAPHAUEMDCAES-SQNIBIBYSA-N 2 0 353.507 0.983 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](C[C@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798134 861613345 /nfs/dbraw/zinc/61/33/45/861613345.db2.gz AYKDBNXPTOTROQ-MAUKXSAKSA-N 2 0 357.495 0.027 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001110847588 845980232 /nfs/dbraw/zinc/98/02/32/845980232.db2.gz XTIKHNQQNQNDCT-ZJPYXAASSA-N 2 0 351.491 0.591 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276827325 861639490 /nfs/dbraw/zinc/63/94/90/861639490.db2.gz MBFVIAVMYYTTBJ-MAUKXSAKSA-N 2 0 355.479 0.319 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111416965 846105119 /nfs/dbraw/zinc/10/51/19/846105119.db2.gz VCAPHAUEMDCAES-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778940 846201116 /nfs/dbraw/zinc/20/11/16/846201116.db2.gz PTBWURVTWYDAGJ-DOXZYTNZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855564 846232173 /nfs/dbraw/zinc/23/21/73/846232173.db2.gz BJFOWPIDEXYLAT-KXBFYZLASA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2)[NH+](C)C ZINC001111875071 846242226 /nfs/dbraw/zinc/24/22/26/846242226.db2.gz PXQNBZMQVXGPHL-BXWFABGCSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCCC1)C2 ZINC001111926047 846264493 /nfs/dbraw/zinc/26/44/93/846264493.db2.gz VDOAWANWRXSJKK-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983540 846279214 /nfs/dbraw/zinc/27/92/14/846279214.db2.gz MYQSYQNCGYTEHV-BXWFABGCSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001112009692 846294647 /nfs/dbraw/zinc/29/46/47/846294647.db2.gz PFIXEAYWPDCZEA-IYOUNJFTSA-N 2 0 350.463 0.103 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017449 846298409 /nfs/dbraw/zinc/29/84/09/846298409.db2.gz GBLHDUUXVSYDPC-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112154483 846422396 /nfs/dbraw/zinc/42/23/96/846422396.db2.gz NVMGYXARFJRTTE-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112155853 846423062 /nfs/dbraw/zinc/42/30/62/846423062.db2.gz NGUHHYDJHQSRJE-CHWSQXEVSA-N 2 0 362.400 0.599 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001112359958 846496948 /nfs/dbraw/zinc/49/69/48/846496948.db2.gz WBHSAXWOCMWDTG-HPFXQQBRSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001112413545 846501778 /nfs/dbraw/zinc/50/17/78/846501778.db2.gz SVOXBDNUCIVQRG-IEZWGBDMSA-N 2 0 352.523 0.879 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516322 846512166 /nfs/dbraw/zinc/51/21/66/846512166.db2.gz DQBJTYAMEXSPPV-FPXQBCRKSA-N 2 0 350.507 0.681 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529471 846516493 /nfs/dbraw/zinc/51/64/93/846516493.db2.gz AQZRGRCIRRLIRF-BXWFABGCSA-N 2 0 350.507 0.683 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578470 846529049 /nfs/dbraw/zinc/52/90/49/846529049.db2.gz PZIXNUWDTBTYIJ-GJYPPUQNSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578265 846529258 /nfs/dbraw/zinc/52/92/58/846529258.db2.gz GOVRRELUDQLBKC-BXWFABGCSA-N 2 0 350.507 0.681 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112579128 846529362 /nfs/dbraw/zinc/52/93/62/846529362.db2.gz XQLBDTXWMSGQOF-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276973282 861717150 /nfs/dbraw/zinc/71/71/50/861717150.db2.gz BQYPOUQNMFJEQB-PKOBYXMFSA-N 2 0 352.523 0.319 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001118035906 847257372 /nfs/dbraw/zinc/25/73/72/847257372.db2.gz XCKRTFCJTDVEFN-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC001119412345 847835746 /nfs/dbraw/zinc/83/57/46/847835746.db2.gz UKRFSRHESZZXFS-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP CC1(C)CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001119423629 847839649 /nfs/dbraw/zinc/83/96/49/847839649.db2.gz AQNCGUNOQLQODF-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCCC[NH2+]1 ZINC001120543700 848238428 /nfs/dbraw/zinc/23/84/28/848238428.db2.gz GCCOZSQQULVNHP-STQMWFEESA-N 2 0 351.417 0.654 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001120670771 848268517 /nfs/dbraw/zinc/26/85/17/848268517.db2.gz MLLVMKOPUYOINT-HOTGVXAUSA-N 2 0 351.495 0.372 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001121928846 848419675 /nfs/dbraw/zinc/41/96/75/848419675.db2.gz VDIZOGBVCMBAJG-QGZVFWFLSA-N 2 0 354.539 0.739 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[C@@H]1CSCC[NH2+]1 ZINC001122081905 848445444 /nfs/dbraw/zinc/44/54/44/848445444.db2.gz DLYAPQRFCYNBDB-MRXNPFEDSA-N 2 0 363.531 0.805 20 0 FCADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001122136278 848452325 /nfs/dbraw/zinc/45/23/25/848452325.db2.gz ISADAIXESUFLJV-HNNXBMFYSA-N 2 0 350.463 0.598 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564650 848606366 /nfs/dbraw/zinc/60/63/66/848606366.db2.gz ORQVESCJPNOKBL-IAGOWNOFSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCN1C ZINC001123794851 848639531 /nfs/dbraw/zinc/63/95/31/848639531.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 0 351.539 0.994 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001127570978 848725970 /nfs/dbraw/zinc/72/59/70/848725970.db2.gz IVORQSPYVGVPRY-JQHSSLGASA-N 2 0 353.507 0.866 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706559 848732578 /nfs/dbraw/zinc/73/25/78/848732578.db2.gz MZIFXIZIRSFGJU-HRCADAONSA-N 2 0 356.511 0.354 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001129030365 848797784 /nfs/dbraw/zinc/79/77/84/848797784.db2.gz XEZXGIYMPXQPAX-XHSDSOJGSA-N 2 0 354.474 0.956 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129084577 848805747 /nfs/dbraw/zinc/80/57/47/848805747.db2.gz OHJBZZFHLDGAMR-CABCVRRESA-N 2 0 352.483 0.386 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205369 848818554 /nfs/dbraw/zinc/81/85/54/848818554.db2.gz UKUKCCASLOKAFH-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386132 848837378 /nfs/dbraw/zinc/83/73/78/848837378.db2.gz YGKJGIVCSVADQB-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407434 848841125 /nfs/dbraw/zinc/84/11/25/848841125.db2.gz NHNDAYZVWRJWNC-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001129683966 848881594 /nfs/dbraw/zinc/88/15/94/848881594.db2.gz CZNKZWGLYIFRGI-PMPSAXMXSA-N 2 0 352.458 0.854 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686114 848881835 /nfs/dbraw/zinc/88/18/35/848881835.db2.gz XEIKIOMHFNFECB-PMPSAXMXSA-N 2 0 350.467 0.139 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129850429 848903122 /nfs/dbraw/zinc/90/31/22/848903122.db2.gz ZRXJUCZMZIVLKC-JJXSEGSLSA-N 2 0 352.458 0.710 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994367 848928025 /nfs/dbraw/zinc/92/80/25/848928025.db2.gz KGIZAXZGKVQERL-OWCLPIDISA-N 2 0 352.483 0.242 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130096290 848944797 /nfs/dbraw/zinc/94/47/97/848944797.db2.gz CVSFZNUARSIEOH-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130106968 848945819 /nfs/dbraw/zinc/94/58/19/848945819.db2.gz BMIOPEKDXVXKPY-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137218 848950069 /nfs/dbraw/zinc/95/00/69/848950069.db2.gz NTVPPMCPUHSUEC-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130137233 848951372 /nfs/dbraw/zinc/95/13/72/848951372.db2.gz OVCAVCWBGPHLNM-OLZOCXBDSA-N 2 0 362.400 0.912 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130307267 848998698 /nfs/dbraw/zinc/99/86/98/848998698.db2.gz NATJHHVDQKMDBI-QAPCUYQASA-N 2 0 356.486 0.773 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001130611850 849018852 /nfs/dbraw/zinc/01/88/52/849018852.db2.gz IYSKPGZFIMIOAO-UAGQMJEPSA-N 2 0 351.495 0.273 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001130603035 849019131 /nfs/dbraw/zinc/01/91/31/849019131.db2.gz VYNPFLKEEYXVJG-OFQRWUPVSA-N 2 0 357.449 0.954 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n2)O1 ZINC001130790384 849043557 /nfs/dbraw/zinc/04/35/57/849043557.db2.gz XPRPXUBUTRBVGG-GZBFAFLISA-N 2 0 350.467 0.591 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130802477 849046539 /nfs/dbraw/zinc/04/65/39/849046539.db2.gz VWZXQJLVROWMIX-UONOGXRCSA-N 2 0 350.467 0.592 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130816407 849048729 /nfs/dbraw/zinc/04/87/29/849048729.db2.gz VPAIDHGWZZFQAF-UONOGXRCSA-N 2 0 352.483 0.981 20 0 FCADRP CC(C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108592 849079514 /nfs/dbraw/zinc/07/95/14/849079514.db2.gz XCIVILTYIZWMRJ-HZPDHXFCSA-N 2 0 351.495 0.538 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131115771 849080292 /nfs/dbraw/zinc/08/02/92/849080292.db2.gz ZSXYEXNNMMZPSE-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313366 849095787 /nfs/dbraw/zinc/09/57/87/849095787.db2.gz PIHVQJGEICOEHF-OAGGEKHMSA-N 2 0 352.479 0.843 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131321136 849096941 /nfs/dbraw/zinc/09/69/41/849096941.db2.gz NYBIUUCTIVVPNP-OAGGEKHMSA-N 2 0 352.479 0.841 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131608436 849130260 /nfs/dbraw/zinc/13/02/60/849130260.db2.gz ANUAPBOEGRHLRM-UNEWFSDZSA-N 2 0 354.495 0.186 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551186 849271401 /nfs/dbraw/zinc/27/14/01/849271401.db2.gz BCDWYGINLIZJTK-XMTFNYHQSA-N 2 0 352.523 0.316 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277695617 862000282 /nfs/dbraw/zinc/00/02/82/862000282.db2.gz QEMAJYJAQAXHOL-RISCZKNCSA-N 2 0 351.369 0.312 20 0 FCADRP CN1CC[NH+](CCC(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001143238070 849479663 /nfs/dbraw/zinc/47/96/63/849479663.db2.gz WMSVHZFZYZTOHO-UHFFFAOYSA-N 2 0 370.295 0.388 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](O)Cc1ccc(O)c(OC)c1 ZINC001143605568 849495071 /nfs/dbraw/zinc/49/50/71/849495071.db2.gz SRLHUCGLUNHMJQ-AWEZNQCLSA-N 2 0 352.435 0.368 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)CN(C)C(N)=[NH2+])CC2)CC1 ZINC001144129684 849509570 /nfs/dbraw/zinc/50/95/70/849509570.db2.gz AFRLCUQFENGOFP-UHFFFAOYSA-N 2 0 353.467 0.078 20 0 FCADRP CC[NH+]1CCC(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001146779203 849565053 /nfs/dbraw/zinc/56/50/53/849565053.db2.gz LAULLSBGWPSRDK-UHFFFAOYSA-N 2 0 370.475 0.340 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583218 849584935 /nfs/dbraw/zinc/58/49/35/849584935.db2.gz OILJPAVLMMHOLU-BZUAXINKSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCSc1nc(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cs1 ZINC001150927589 849673259 /nfs/dbraw/zinc/67/32/59/849673259.db2.gz GVBLASRQVJAYME-CYBMUJFWSA-N 2 0 358.533 0.522 20 0 FCADRP CC1([NH3+])CN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)C1 ZINC001157644790 849985503 /nfs/dbraw/zinc/98/55/03/849985503.db2.gz ZIVZXSQMXPUTOF-NSHDSACASA-N 2 0 359.211 0.721 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157721267 849989234 /nfs/dbraw/zinc/98/92/34/849989234.db2.gz WJNHTQSDJUVMOS-XGUBFFRZSA-N 2 0 374.551 0.045 20 0 FCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001157756344 849991150 /nfs/dbraw/zinc/99/11/50/849991150.db2.gz XQPZVYHDUYCVQO-MAUKXSAKSA-N 2 0 350.438 0.352 20 0 FCADRP COC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157922343 850004857 /nfs/dbraw/zinc/00/48/57/850004857.db2.gz LWXVSDSMRPGCQI-JYJNAYRXSA-N 2 0 354.495 0.461 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158030956 850014555 /nfs/dbraw/zinc/01/45/55/850014555.db2.gz CDCBOQJIRAKYAF-DOTOQJQBSA-N 2 0 356.536 0.913 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076538 850015714 /nfs/dbraw/zinc/01/57/14/850015714.db2.gz IPOONPBYZPXYKL-AWEZNQCLSA-N 2 0 355.479 0.807 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070442 850015879 /nfs/dbraw/zinc/01/58/79/850015879.db2.gz HUOWFLLWJSXTHO-HNNXBMFYSA-N 2 0 353.463 0.561 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083111 850016702 /nfs/dbraw/zinc/01/67/02/850016702.db2.gz UUAJEGYXXYQQCM-LBPRGKRZSA-N 2 0 364.412 0.892 20 0 FCADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169724 850020725 /nfs/dbraw/zinc/02/07/25/850020725.db2.gz SHLJFFLUFYXFID-CQSZACIVSA-N 2 0 355.504 0.145 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC001158166599 850020974 /nfs/dbraw/zinc/02/09/74/850020974.db2.gz AIVWXFVHNDMWHD-BNOWGMLFSA-N 2 0 354.248 0.896 20 0 FCADRP [NH3+]CCOCCOCC(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158239263 850027706 /nfs/dbraw/zinc/02/77/06/850027706.db2.gz DEXTUJWMMIPWFR-LBPRGKRZSA-N 2 0 353.385 0.654 20 0 FCADRP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158283053 850033813 /nfs/dbraw/zinc/03/38/13/850033813.db2.gz ZOOIGQUYMYRLDG-NXHRZFHOSA-N 2 0 355.523 0.990 20 0 FCADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001158282662 850034147 /nfs/dbraw/zinc/03/41/47/850034147.db2.gz UWLCPLYEKRWENM-OAGGEKHMSA-N 2 0 354.495 0.093 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccs2)CC[N@@H+]1C ZINC001158379760 850041415 /nfs/dbraw/zinc/04/14/15/850041415.db2.gz HCAOEWMFQXJWQT-UKRRQHHQSA-N 2 0 352.504 0.800 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@]1(C)CCC[NH2+]1)C2 ZINC001158379740 850041534 /nfs/dbraw/zinc/04/15/34/850041534.db2.gz FXTDXNNNQYTNPI-KFWWJZLASA-N 2 0 363.380 0.672 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CC(F)C1)C2 ZINC001158383423 850043634 /nfs/dbraw/zinc/04/36/34/850043634.db2.gz PIJYBXHDPKADKC-SXNPUNGBSA-N 2 0 367.343 0.359 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])C(C)C)C2 ZINC001158383030 850043821 /nfs/dbraw/zinc/04/38/21/850043821.db2.gz LOFPSGVVAZKBOS-HONMWMINSA-N 2 0 351.369 0.513 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C(C)(C)[NH2+]C)C2 ZINC001158384374 850044227 /nfs/dbraw/zinc/04/42/27/850044227.db2.gz VTSFSQOAOKONRZ-ZIAGYGMSSA-N 2 0 351.369 0.528 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)C2 ZINC001158384072 850044644 /nfs/dbraw/zinc/04/46/44/850044644.db2.gz QKDYODPPCICVPI-VIDBKGRSSA-N 2 0 361.364 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001158404240 850047428 /nfs/dbraw/zinc/04/74/28/850047428.db2.gz SJFLHMBQPTXLOH-QWHCGFSZSA-N 2 0 353.492 0.908 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548794 850058849 /nfs/dbraw/zinc/05/88/49/850058849.db2.gz ZXMXSGMXCYVELZ-UHQDVWGKSA-N 2 0 353.463 0.415 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158576794 850060245 /nfs/dbraw/zinc/06/02/45/850060245.db2.gz DPKIHNIRVIERNA-ZNMIVQPWSA-N 2 0 355.454 0.782 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001158697997 850068434 /nfs/dbraw/zinc/06/84/34/850068434.db2.gz JQRNBUNENSDKEX-SXBQZSJRSA-N 2 0 369.535 0.506 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968688 850087892 /nfs/dbraw/zinc/08/78/92/850087892.db2.gz WJVBVAAUYSENHD-OAHLLOKOSA-N 2 0 351.495 0.629 20 0 FCADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC3)cs1 ZINC001158976597 850089081 /nfs/dbraw/zinc/08/90/81/850089081.db2.gz KOUGKKOHVHRUNS-HZPDHXFCSA-N 2 0 364.515 0.989 20 0 FCADRP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001159127560 850096764 /nfs/dbraw/zinc/09/67/64/850096764.db2.gz TWGVJCJJORZVTQ-HIFRSBDPSA-N 2 0 350.467 0.092 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(N3CC[NH+](C)CC3)nn2)O1 ZINC001159238743 850104395 /nfs/dbraw/zinc/10/43/95/850104395.db2.gz QUEXXSYCNVOBTA-CKEIUWERSA-N 2 0 350.467 0.365 20 0 FCADRP Nc1ncn(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159396806 850110537 /nfs/dbraw/zinc/11/05/37/850110537.db2.gz OJEDDMLQSRLWSI-KZVDOYCCSA-N 2 0 364.881 0.355 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159481217 850117513 /nfs/dbraw/zinc/11/75/13/850117513.db2.gz KAILRUYXUOUMGC-SOLBZPMBSA-N 3 0 370.563 0.213 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001159481159 850117725 /nfs/dbraw/zinc/11/77/25/850117725.db2.gz IHQBZDKFWHKZFH-YPRHSBRXSA-N 2 0 371.547 0.289 20 0 FCADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001159633801 850126132 /nfs/dbraw/zinc/12/61/32/850126132.db2.gz RJXYBMBSHXLTHL-WFASDCNBSA-N 2 0 351.451 0.517 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834656 850139808 /nfs/dbraw/zinc/13/98/08/850139808.db2.gz WFYDWUSVLOLVDT-CWVYHPPDSA-N 2 0 361.515 0.516 20 0 FCADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857081 850141014 /nfs/dbraw/zinc/14/10/14/850141014.db2.gz VXWDTYFIJPUAFZ-DOTOQJQBSA-N 2 0 350.438 0.428 20 0 FCADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857082 850141088 /nfs/dbraw/zinc/14/10/88/850141088.db2.gz VXWDTYFIJPUAFZ-NVXWUHKLSA-N 2 0 350.438 0.428 20 0 FCADRP CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159844873 850141311 /nfs/dbraw/zinc/14/13/11/850141311.db2.gz LGOUAKVOOVXOOE-CABCVRRESA-N 2 0 354.495 0.223 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159906211 850144208 /nfs/dbraw/zinc/14/42/08/850144208.db2.gz ZMXKNUPKKBXKFA-RZLSGREXSA-N 2 0 368.503 0.732 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201272 850158993 /nfs/dbraw/zinc/15/89/93/850158993.db2.gz FLGMUSMVZHJNBO-JKSUJKDBSA-N 2 0 350.507 0.988 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160483176 850175330 /nfs/dbraw/zinc/17/53/30/850175330.db2.gz QCIMTPUVNNTNAW-HNNXBMFYSA-N 2 0 356.511 0.578 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650484 850188871 /nfs/dbraw/zinc/18/88/71/850188871.db2.gz XMFQRVAMGPMIPL-RRFJBIMHSA-N 2 0 368.478 0.261 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3CC[NH2+]C[C@@H]3F)C[C@H]1C2 ZINC001160795270 850199636 /nfs/dbraw/zinc/19/96/36/850199636.db2.gz VXJSKRJLUPUBLR-YQBONMRBSA-N 2 0 353.438 0.181 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001160834126 850201716 /nfs/dbraw/zinc/20/17/16/850201716.db2.gz XKAWQUBSTPPTPQ-LLVKDONJSA-N 2 0 360.384 0.064 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001451 850220033 /nfs/dbraw/zinc/22/00/33/850220033.db2.gz YOJASVMUNHRIJH-NVXWUHKLSA-N 3 0 350.507 0.166 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062455 850226332 /nfs/dbraw/zinc/22/63/32/850226332.db2.gz KDBNIWSZSILRFF-VGWMRTNUSA-N 3 0 353.511 0.162 20 0 FCADRP CN(Cc1cncs1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161065016 850226916 /nfs/dbraw/zinc/22/69/16/850226916.db2.gz OBVGAQQYUKUVTJ-KBPBESRZSA-N 2 0 353.492 0.549 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001161158633 850235990 /nfs/dbraw/zinc/23/59/90/850235990.db2.gz ZEPNTONKDWUWSG-ZDUSSCGKSA-N 2 0 357.401 0.965 20 0 FCADRP [NH3+]CC1CC(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197577 850238980 /nfs/dbraw/zinc/23/89/80/850238980.db2.gz CKBNFHGPFKJAMD-UHFFFAOYSA-N 2 0 352.523 0.522 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC(N2CCCOC2=O)CC1 ZINC001161264694 850245103 /nfs/dbraw/zinc/24/51/03/850245103.db2.gz RFOYTJRWRYNAIR-HNNXBMFYSA-N 2 0 350.463 0.694 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C2CCOCC2)CC1 ZINC001161315899 850251152 /nfs/dbraw/zinc/25/11/52/850251152.db2.gz DZRYQJIOKRBUKK-HBUWYVDXSA-N 2 0 350.463 0.772 20 0 FCADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382259 850256001 /nfs/dbraw/zinc/25/60/01/850256001.db2.gz WFAASWRQIBWBGB-FGTMMUONSA-N 2 0 350.507 0.384 20 0 FCADRP O=C(N1CC[C@@H](n2cc(Br)cn2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161519661 850266364 /nfs/dbraw/zinc/26/63/64/850266364.db2.gz BMSYFQKFGIJAMO-UXIGCNINSA-N 2 0 368.279 0.618 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2ncc(Br)c2C1 ZINC001161526765 850267586 /nfs/dbraw/zinc/26/75/86/850267586.db2.gz SDXBTLZGFDBMLW-GFCCVEGCSA-N 2 0 368.279 0.862 20 0 FCADRP O=S(=O)(N(C[C@H]1CCC[NH2+]1)c1cc(C2C[NH2+]C2)ncn1)C(F)(F)F ZINC001166883655 850509688 /nfs/dbraw/zinc/50/96/88/850509688.db2.gz KUQDXHHCDPLIPS-SNVBAGLBSA-N 2 0 365.381 0.571 20 0 FCADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001167879525 850560473 /nfs/dbraw/zinc/56/04/73/850560473.db2.gz WQUFAJMMIAKEAO-UHFFFAOYSA-N 2 0 355.464 0.383 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1CCC([NH+](C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001168330251 850581946 /nfs/dbraw/zinc/58/19/46/850581946.db2.gz NUDNLXVRNDZSDD-OFLPRAFFSA-N 2 0 350.507 0.728 20 0 FCADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](CC3CC3)CC2)O1 ZINC001168378448 850585671 /nfs/dbraw/zinc/58/56/71/850585671.db2.gz NSJRZSMWPWHHAY-KURKYZTESA-N 2 0 351.491 0.855 20 0 FCADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181412 850609007 /nfs/dbraw/zinc/60/90/07/850609007.db2.gz PDZJZQKJSJHUCW-OLZOCXBDSA-N 2 0 350.467 0.177 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172148971 850706166 /nfs/dbraw/zinc/70/61/66/850706166.db2.gz CWWNSGTYXDXBKQ-SJORKVTESA-N 2 0 357.495 0.518 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172148969 850706252 /nfs/dbraw/zinc/70/62/52/850706252.db2.gz CWWNSGTYXDXBKQ-IAGOWNOFSA-N 2 0 357.495 0.518 20 0 FCADRP CC(C)OCC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001172440170 850711695 /nfs/dbraw/zinc/71/16/95/850711695.db2.gz HFNUYBCOJWZAEX-QGZVFWFLSA-N 2 0 350.500 0.805 20 0 FCADRP C[NH+](C)CCN1CC[NH+](C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001172892369 850714781 /nfs/dbraw/zinc/71/47/81/850714781.db2.gz NLKQMEKXJHGVED-UHFFFAOYSA-N 2 0 354.539 0.972 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2cn(C(C)(C)C)nn2)(N2CCOCC2)CC1 ZINC001178950949 850940173 /nfs/dbraw/zinc/94/01/73/850940173.db2.gz WJPZFRAEBRYZMA-UHFFFAOYSA-N 2 0 350.511 0.919 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001278102336 862188147 /nfs/dbraw/zinc/18/81/47/862188147.db2.gz XEXKQFJKZDKMGD-AWEZNQCLSA-N 2 0 355.552 0.202 20 0 FCADRP CS(=O)(=O)c1ccc(C(=O)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001180910309 851078132 /nfs/dbraw/zinc/07/81/32/851078132.db2.gz GCCXTXPLGQWCPN-UHFFFAOYSA-N 2 0 368.459 0.514 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCOCC(F)(F)F)C2)O1 ZINC001183581845 851252416 /nfs/dbraw/zinc/25/24/16/851252416.db2.gz MNBHSUDKCIYIPW-MGPQQGTHSA-N 2 0 367.412 0.865 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001185246080 851345220 /nfs/dbraw/zinc/34/52/20/851345220.db2.gz ZKDYOMHIWPEKRQ-GOSISDBHSA-N 2 0 352.523 0.583 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188897197 851732387 /nfs/dbraw/zinc/73/23/87/851732387.db2.gz TUSDJJRXGPJGFE-OKZBNKHCSA-N 2 0 353.507 0.650 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971618 851739478 /nfs/dbraw/zinc/73/94/78/851739478.db2.gz YLLTVPAQSSBLIB-HRCADAONSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001188985230 851740403 /nfs/dbraw/zinc/74/04/03/851740403.db2.gz AXXZARZLHVBVNY-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP COc1cc(OC)nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC001189227452 851765964 /nfs/dbraw/zinc/76/59/64/851765964.db2.gz YOXNCMXEYMCOES-UHFFFAOYSA-N 2 0 353.467 0.839 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189484085 851794952 /nfs/dbraw/zinc/79/49/52/851794952.db2.gz BLKYMLVLXSJHQF-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP COCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001278278526 862287347 /nfs/dbraw/zinc/28/73/47/862287347.db2.gz XHXQLCPFDKTGJL-IAGOWNOFSA-N 2 0 352.523 0.487 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001189811135 851826962 /nfs/dbraw/zinc/82/69/62/851826962.db2.gz SJSFHSJNFLSCDP-YESZJQIVSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001189913142 851841553 /nfs/dbraw/zinc/84/15/53/851841553.db2.gz MWCHYQPBAHWPJT-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371242 851899102 /nfs/dbraw/zinc/89/91/02/851899102.db2.gz RLVFNFNTSLZJNV-GVDBMIGSSA-N 2 0 350.507 0.869 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ncccc1I ZINC001191692195 852124374 /nfs/dbraw/zinc/12/43/74/852124374.db2.gz APLYJFISEQZAOM-UHFFFAOYSA-N 2 0 361.187 0.761 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)CCC1 ZINC001193737993 852479777 /nfs/dbraw/zinc/47/97/77/852479777.db2.gz LHABYWPNQCWSTK-CHWSQXEVSA-N 2 0 367.412 0.601 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](CC3C(=O)N=CNC3=O)C2)C1 ZINC001278561145 862372090 /nfs/dbraw/zinc/37/20/90/862372090.db2.gz UVVPVGGXAVLPAJ-KRWDZBQOSA-N 2 0 351.451 0.116 20 0 FCADRP CCc1onc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980881 852859889 /nfs/dbraw/zinc/85/98/89/852859889.db2.gz JJZRDIYDFSWKHU-BFYDXBDKSA-N 2 0 352.479 0.793 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251599 852925311 /nfs/dbraw/zinc/92/53/11/852925311.db2.gz LWMNAHNELZXUEL-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O)C(C)C ZINC001197026001 853050702 /nfs/dbraw/zinc/05/07/02/853050702.db2.gz WKOATTVNDDUPJJ-BRWVUGGUSA-N 2 0 351.495 0.448 20 0 FCADRP COc1ncccc1CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948998 853190133 /nfs/dbraw/zinc/19/01/33/853190133.db2.gz OZWHAQQAQOAFHY-HZPDHXFCSA-N 2 0 350.463 0.483 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198037901 853208071 /nfs/dbraw/zinc/20/80/71/853208071.db2.gz AGNPCQJSUZOUFJ-ZIAGYGMSSA-N 2 0 369.428 0.849 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198037947 853209128 /nfs/dbraw/zinc/20/91/28/853209128.db2.gz CRZOCNHOQIQFEX-GVDBMIGSSA-N 2 0 357.495 0.075 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198037946 853209993 /nfs/dbraw/zinc/20/99/93/853209993.db2.gz CRZOCNHOQIQFEX-BRWVUGGUSA-N 2 0 357.495 0.075 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001198699104 853303775 /nfs/dbraw/zinc/30/37/75/853303775.db2.gz IVOUIWCAFANYAK-DJIMGWMZSA-N 2 0 353.507 0.552 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O ZINC001198698773 853303797 /nfs/dbraw/zinc/30/37/97/853303797.db2.gz DXRKBYNHSXEXNP-GVDBMIGSSA-N 2 0 355.523 0.942 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001198744113 853312075 /nfs/dbraw/zinc/31/20/75/853312075.db2.gz LRYYAHYCTHQMBB-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP COCNC(=S)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001198824005 853329033 /nfs/dbraw/zinc/32/90/33/853329033.db2.gz ANEWZSVQWDPVNG-UHFFFAOYSA-N 2 0 369.579 0.641 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001199018385 853356983 /nfs/dbraw/zinc/35/69/83/853356983.db2.gz XLTBBDGWSUMART-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001199370172 853415011 /nfs/dbraw/zinc/41/50/11/853415011.db2.gz NUTTVBYMQTWULQ-RCCFBDPRSA-N 2 0 353.507 0.983 20 0 FCADRP COC(=O)CCCS(=O)(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001201911940 853557957 /nfs/dbraw/zinc/55/79/57/853557957.db2.gz FYCDXBLICQXCGY-UHFFFAOYSA-N 2 0 361.508 0.229 20 0 FCADRP [NH3+][C@@H]1CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001205352736 853604933 /nfs/dbraw/zinc/60/49/33/853604933.db2.gz NKXGJHPUFJLLOS-UKRRQHHQSA-N 2 0 355.280 0.363 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205432354 853609228 /nfs/dbraw/zinc/60/92/28/853609228.db2.gz MJGRMFNZJSBCAO-UHOFOFEASA-N 2 0 350.438 0.535 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205516784 853618958 /nfs/dbraw/zinc/61/89/58/853618958.db2.gz VSJHKEUOLAPURH-DLBZAZTESA-N 2 0 353.507 0.650 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F)C(N)=O ZINC001205649511 853625489 /nfs/dbraw/zinc/62/54/89/853625489.db2.gz WWTMXVYROVDMNR-DUVNUKRYSA-N 2 0 350.438 0.535 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001207232742 853792960 /nfs/dbraw/zinc/79/29/60/853792960.db2.gz YRDUBLISJIEWTM-UKRRQHHQSA-N 2 0 355.504 0.869 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207396564 853808619 /nfs/dbraw/zinc/80/86/19/853808619.db2.gz LZQOGNZMNOTXAZ-OKZBNKHCSA-N 2 0 351.491 0.524 20 0 FCADRP COCCN1CC2(CC[NH+](CC3CC[NH2+]CC3)CC2)[C@@H](COC)C1=O ZINC001207436680 853813475 /nfs/dbraw/zinc/81/34/75/853813475.db2.gz HMZMZJBQLXAPLR-KRWDZBQOSA-N 2 0 353.507 0.819 20 0 FCADRP CC(C)CN1C[C@@]23C[N@H+](CC4CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207437333 853813505 /nfs/dbraw/zinc/81/35/05/853813505.db2.gz UEGDFEDGSUXXMD-IKGGRYGDSA-N 2 0 357.520 0.499 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207543179 853822665 /nfs/dbraw/zinc/82/26/65/853822665.db2.gz GVSTWPVEUODKTN-ZIAGYGMSSA-N 2 0 350.463 0.056 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207750624 853854612 /nfs/dbraw/zinc/85/46/12/853854612.db2.gz USPJZDVEVUNVDF-ZIAGYGMSSA-N 2 0 352.479 0.302 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207954489 853875936 /nfs/dbraw/zinc/87/59/36/853875936.db2.gz JDDLBFLNVQUQBX-QGZVFWFLSA-N 2 0 352.523 0.726 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070310 853890860 /nfs/dbraw/zinc/89/08/60/853890860.db2.gz IVOQGHRRSKGIQI-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001208074187 853892278 /nfs/dbraw/zinc/89/22/78/853892278.db2.gz UPFXYXIOGTWBHU-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208106752 853896576 /nfs/dbraw/zinc/89/65/76/853896576.db2.gz JXKHGBMWPZUOLX-IXDOHACOSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435030 853934883 /nfs/dbraw/zinc/93/48/83/853934883.db2.gz OTZKEJHCGWLQDS-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494075 853942627 /nfs/dbraw/zinc/94/26/27/853942627.db2.gz DOEQCQMBAUSYFB-ZIAGYGMSSA-N 2 0 351.499 0.359 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001208698898 853967993 /nfs/dbraw/zinc/96/79/93/853967993.db2.gz HQMCFFLTVZCILX-KFWWJZLASA-N 2 0 362.540 0.093 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001209635258 854041998 /nfs/dbraw/zinc/04/19/98/854041998.db2.gz NRRQVZUNTRRDKK-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830319 854056332 /nfs/dbraw/zinc/05/63/32/854056332.db2.gz XXIINSALFRWBMM-CRAIPNDOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836130 854056348 /nfs/dbraw/zinc/05/63/48/854056348.db2.gz GCIBLILURKJQFF-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001210179533 854087149 /nfs/dbraw/zinc/08/71/49/854087149.db2.gz PILCOAXUEHTOFV-CRAIPNDOSA-N 2 0 353.507 0.554 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210321458 854100378 /nfs/dbraw/zinc/10/03/78/854100378.db2.gz AQVAWOIUWSCDTK-RHSMWYFYSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343939 854179255 /nfs/dbraw/zinc/17/92/55/854179255.db2.gz UIVNWDMVXDQWBR-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001211666597 854225656 /nfs/dbraw/zinc/22/56/56/854225656.db2.gz GDKCIMBQFPVUJI-DLBZAZTESA-N 2 0 367.515 0.567 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348386 854584729 /nfs/dbraw/zinc/58/47/29/854584729.db2.gz KPIMFWRXCYUTAE-IAGOWNOFSA-N 2 0 351.495 0.657 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1OC ZINC001213588415 854677607 /nfs/dbraw/zinc/67/76/07/854677607.db2.gz GCZAARWUDGBQOO-BRWVUGGUSA-N 2 0 359.511 0.321 20 0 FCADRP CO[C@@H]1CN(Cc2ncccc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728799 854739770 /nfs/dbraw/zinc/73/97/70/854739770.db2.gz TUAPPUDIOQLHBU-IAGOWNOFSA-N 2 0 350.463 0.284 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753657 854751237 /nfs/dbraw/zinc/75/12/37/854751237.db2.gz JIQLOKQTWNSSAB-IAGOWNOFSA-N 2 0 351.495 0.510 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929921 854831097 /nfs/dbraw/zinc/83/10/97/854831097.db2.gz RWHJRBSITXLPBZ-GVDBMIGSSA-N 2 0 357.495 0.338 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001214755093 855002766 /nfs/dbraw/zinc/00/27/66/855002766.db2.gz RFYODNYISQXLGD-BZUAXINKSA-N 2 0 358.502 0.875 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001214754862 855002864 /nfs/dbraw/zinc/00/28/64/855002864.db2.gz JOJNSYRLADBYEH-OWCLPIDISA-N 2 0 356.486 0.725 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C1CC1 ZINC001214847426 855022111 /nfs/dbraw/zinc/02/21/11/855022111.db2.gz DSYFHRSGOFLEHV-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001214855347 855023076 /nfs/dbraw/zinc/02/30/76/855023076.db2.gz CQEKBEBMQBJBJP-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214855660 855023399 /nfs/dbraw/zinc/02/33/99/855023399.db2.gz JXQHDJHVFFFRCK-QBIMZIAESA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001214949981 855038511 /nfs/dbraw/zinc/03/85/11/855038511.db2.gz IADLDWPMNCVSEA-FVQBIDKESA-N 2 0 354.495 0.058 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969694 855041520 /nfs/dbraw/zinc/04/15/20/855041520.db2.gz XAUUEGMRCWAVGY-DJIMGWMZSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215058470 855060113 /nfs/dbraw/zinc/06/01/13/855060113.db2.gz QYILVZSLXXTXPX-HUUCEWRRSA-N 2 0 357.520 0.486 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215224125 855083290 /nfs/dbraw/zinc/08/32/90/855083290.db2.gz JTFMNRRNGNBQRO-DJIMGWMZSA-N 2 0 371.547 0.732 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001215226326 855084471 /nfs/dbraw/zinc/08/44/71/855084471.db2.gz JAAJPSHSGOZFGV-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCCc1cccs1 ZINC001215463493 855118008 /nfs/dbraw/zinc/11/80/08/855118008.db2.gz ZMKHJDMDWVUMCG-GDBMZVCRSA-N 2 0 366.531 0.795 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001215463224 855118342 /nfs/dbraw/zinc/11/83/42/855118342.db2.gz NGGTYAQNJCPCDX-UKRRQHHQSA-N 2 0 352.504 0.753 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+]1CCCCCC1 ZINC001215774379 855144410 /nfs/dbraw/zinc/14/44/10/855144410.db2.gz NMADVJDBBUROTG-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215781954 855145561 /nfs/dbraw/zinc/14/55/61/855145561.db2.gz QCVVDEQEZSRKTH-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215930296 855157598 /nfs/dbraw/zinc/15/75/98/855157598.db2.gz WOOOVFJYKIWEIF-RHSMWYFYSA-N 2 0 367.515 0.843 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216001744 855164345 /nfs/dbraw/zinc/16/43/45/855164345.db2.gz JCDJSRWYZSRDNS-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090950 855168869 /nfs/dbraw/zinc/16/88/69/855168869.db2.gz QLEYYQKNAYCJKF-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226307 855182090 /nfs/dbraw/zinc/18/20/90/855182090.db2.gz RYGKGYLRRIHMNF-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216383110 855197038 /nfs/dbraw/zinc/19/70/38/855197038.db2.gz IPAQAJOIHVSVNQ-FRRDWIJNSA-N 2 0 366.491 0.255 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC001216400854 855198573 /nfs/dbraw/zinc/19/85/73/855198573.db2.gz AZVLNOUOLSXZGV-FRRDWIJNSA-N 2 0 355.401 0.314 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC001216401178 855199019 /nfs/dbraw/zinc/19/90/19/855199019.db2.gz HJRQPQSQVKPTCK-KBAYOESNSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001216401059 855199252 /nfs/dbraw/zinc/19/92/52/855199252.db2.gz FXBFFSXABPSZMY-CHWSQXEVSA-N 2 0 357.886 0.588 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001216511374 855210030 /nfs/dbraw/zinc/21/00/30/855210030.db2.gz PYFPFBLZSYGUFF-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216754266 855232754 /nfs/dbraw/zinc/23/27/54/855232754.db2.gz NHVROBRVQDCZIH-FRRDWIJNSA-N 2 0 351.476 0.470 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001216754386 855233072 /nfs/dbraw/zinc/23/30/72/855233072.db2.gz RWQTYQNJZFVWBN-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001216752557 855233124 /nfs/dbraw/zinc/23/31/24/855233124.db2.gz TXOFXCIELDFCGJ-IJEWVQPXSA-N 2 0 364.515 0.753 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216844998 855256633 /nfs/dbraw/zinc/25/66/33/855256633.db2.gz SVJIEYHMFDEKKJ-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218017268 855389500 /nfs/dbraw/zinc/38/95/00/855389500.db2.gz TWWGTMAGCUJVCN-ZJUUUORDSA-N 2 0 356.398 0.230 20 0 FCADRP [NH3+][C@@H]1CCc2nc(NC(=O)c3cnc(N4CC[NH2+]CC4)cn3)sc2C1 ZINC001218531680 855435378 /nfs/dbraw/zinc/43/53/78/855435378.db2.gz AKHXRRSYTPEMNC-SNVBAGLBSA-N 2 0 359.459 0.411 20 0 FCADRP CN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533922 855436660 /nfs/dbraw/zinc/43/66/60/855436660.db2.gz UAXLPZFLAPLWGG-AAEUAGOBSA-N 2 0 365.503 0.350 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1nc(Br)cn2ccnc12 ZINC001218563068 855439704 /nfs/dbraw/zinc/43/97/04/855439704.db2.gz DIIDNWQSNNAVNK-ZETCQYMHSA-N 2 0 359.253 0.450 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566497 855440151 /nfs/dbraw/zinc/44/01/51/855440151.db2.gz ILNWEEMQEDISSV-JTQLQIEISA-N 2 0 369.267 0.911 20 0 FCADRP Cc1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1Br ZINC001218566128 855440216 /nfs/dbraw/zinc/44/02/16/855440216.db2.gz BELCELZVYUQDLM-ZDUSSCGKSA-N 2 0 356.268 0.841 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ncnn2c(Br)ccc12)C1CC[NH2+]CC1 ZINC001218568058 855441294 /nfs/dbraw/zinc/44/12/94/855441294.db2.gz YHHGNKCNESTVPG-NSHDSACASA-N 2 0 353.224 0.179 20 0 FCADRP O=C(Nc1cn2cc(Br)ccc2n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218589706 855444620 /nfs/dbraw/zinc/44/46/20/855444620.db2.gz UKAQNHRQGWWZPM-SNVBAGLBSA-N 2 0 350.220 0.844 20 0 FCADRP COC(=O)c1cnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(Cl)c1 ZINC001218595167 855446332 /nfs/dbraw/zinc/44/63/32/855446332.db2.gz HPMRRCXVBXEHRR-LBPRGKRZSA-N 2 0 355.826 0.211 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646670 855457383 /nfs/dbraw/zinc/45/73/83/855457383.db2.gz XIHXNRHXBGALFW-YESZJQIVSA-N 2 0 353.507 0.912 20 0 FCADRP Cc1ccc(Br)nc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218749766 855474722 /nfs/dbraw/zinc/47/47/22/855474722.db2.gz JKWOLMVZVSWAJK-NSHDSACASA-N 2 0 356.268 0.841 20 0 FCADRP CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218798763 855480543 /nfs/dbraw/zinc/48/05/43/855480543.db2.gz YWPQPJSBNXWICY-NSHDSACASA-N 2 0 364.475 0.796 20 0 FCADRP CCOC(=O)c1sc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1C1CC1 ZINC001218805592 855481449 /nfs/dbraw/zinc/48/14/49/855481449.db2.gz ZBFWZPHHVFIHFS-JTQLQIEISA-N 2 0 350.444 0.945 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845057 855485836 /nfs/dbraw/zinc/48/58/36/855485836.db2.gz SQEMPWWAVLJTSJ-DLBZAZTESA-N 2 0 355.479 0.045 20 0 FCADRP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001218853394 855486347 /nfs/dbraw/zinc/48/63/47/855486347.db2.gz LGAOWWUBXGFHCZ-NSHDSACASA-N 2 0 361.489 0.447 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]21 ZINC001218965324 855504524 /nfs/dbraw/zinc/50/45/24/855504524.db2.gz JTIKZNWOTWLFLT-DLBZAZTESA-N 2 0 367.515 0.780 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001218970581 855505510 /nfs/dbraw/zinc/50/55/10/855505510.db2.gz KYEBTZQHELCPBR-IXDOHACOSA-N 2 0 355.479 0.045 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CC1 ZINC001219033403 855518524 /nfs/dbraw/zinc/51/85/24/855518524.db2.gz JOROXDXXBXBGBC-RCCFBDPRSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052270 855526380 /nfs/dbraw/zinc/52/63/80/855526380.db2.gz PVFWZMFWGNCVHS-OKZBNKHCSA-N 2 0 353.507 0.935 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001219052392 855528076 /nfs/dbraw/zinc/52/80/76/855528076.db2.gz YHTWPTYTWUDRRE-OKZBNKHCSA-N 2 0 351.491 0.811 20 0 FCADRP COC(=O)c1cc(O)c(F)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219080897 855541288 /nfs/dbraw/zinc/54/12/88/855541288.db2.gz ILDOZRFSLSZVNL-GFCCVEGCSA-N 2 0 354.382 0.007 20 0 FCADRP CCOC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c2c1OCCO2 ZINC001219375495 855651036 /nfs/dbraw/zinc/65/10/36/855651036.db2.gz PUOSCTGUCXXTQP-NSHDSACASA-N 2 0 369.443 0.592 20 0 FCADRP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219565967 855717000 /nfs/dbraw/zinc/71/70/00/855717000.db2.gz RBEIWJAUTDBIJA-SJKOYZFVSA-N 2 0 364.881 0.414 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580711 855721453 /nfs/dbraw/zinc/72/14/53/855721453.db2.gz QSWYKGAQNBQFKL-AVGNSLFASA-N 2 0 360.252 0.026 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219608299 855732913 /nfs/dbraw/zinc/73/29/13/855732913.db2.gz UHHGUSDWYFWIMJ-IAQYHMDHSA-N 2 0 357.380 0.545 20 0 FCADRP [NH3+][C@H](C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001219610291 855733002 /nfs/dbraw/zinc/73/30/02/855733002.db2.gz NGBFKAPQTLASMP-WCQYABFASA-N 2 0 351.369 0.658 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614204 855734018 /nfs/dbraw/zinc/73/40/18/855734018.db2.gz UZZBSRHVIUBZHG-SWLSCSKDSA-N 2 0 358.364 0.083 20 0 FCADRP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616713 855735142 /nfs/dbraw/zinc/73/51/42/855735142.db2.gz BWKBVWGWYANGFG-VNHYZAJKSA-N 2 0 363.355 0.754 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635495 855748138 /nfs/dbraw/zinc/74/81/38/855748138.db2.gz JHLTYCQNKXGFMC-IHRRRGAJSA-N 2 0 351.426 0.125 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219650688 855756021 /nfs/dbraw/zinc/75/60/21/855756021.db2.gz PPVSXWIWVRHPRU-YXMSTPNBSA-N 2 0 372.579 0.960 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1ccc(C(F)(F)F)nc1 ZINC001219691156 855773765 /nfs/dbraw/zinc/77/37/65/855773765.db2.gz LUBYYZXNLUCFMR-ZDUSSCGKSA-N 2 0 359.396 0.510 20 0 FCADRP [NH3+]C1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CCC2(CC1)OCCO2 ZINC001219743261 855794934 /nfs/dbraw/zinc/79/49/34/855794934.db2.gz APHLQHHJGFIGJV-AWEZNQCLSA-N 2 0 353.463 0.418 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219744108 855795012 /nfs/dbraw/zinc/79/50/12/855795012.db2.gz SJRNLBUBGHWQPK-ZACQAIPSSA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743755 855795191 /nfs/dbraw/zinc/79/51/91/855795191.db2.gz LFFBPQDJFUZWAH-UONOGXRCSA-N 2 0 355.479 0.853 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219803621 855820602 /nfs/dbraw/zinc/82/06/02/855820602.db2.gz BATWVZRXVBTWBZ-FGTMMUONSA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219823958 855831718 /nfs/dbraw/zinc/83/17/18/855831718.db2.gz WKQBSGGBLLJXRH-CHWSQXEVSA-N 2 0 358.471 0.551 20 0 FCADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219823963 855831971 /nfs/dbraw/zinc/83/19/71/855831971.db2.gz WKQBSGGBLLJXRH-STQMWFEESA-N 2 0 358.471 0.551 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001219829856 855834912 /nfs/dbraw/zinc/83/49/12/855834912.db2.gz GPNWNPXVNBEKEZ-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219833720 855836685 /nfs/dbraw/zinc/83/66/85/855836685.db2.gz HYCIMUOXRZVZBK-GJYPPUQNSA-N 2 0 351.491 0.668 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219834162 855836757 /nfs/dbraw/zinc/83/67/57/855836757.db2.gz OOTHCGLZKGEJIJ-OSFYFWSMSA-N 2 0 365.396 0.428 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219834674 855837049 /nfs/dbraw/zinc/83/70/49/855837049.db2.gz RXWVSNCVOLIMRS-SFDCQRBFSA-N 2 0 365.396 0.428 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001219874015 855855276 /nfs/dbraw/zinc/85/52/76/855855276.db2.gz WDLNZCILZRAFQP-SJORKVTESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)c2)CC1 ZINC001219961186 855897004 /nfs/dbraw/zinc/89/70/04/855897004.db2.gz ISHYLJFERJVGTM-UPCLLVRISA-N 2 0 352.504 0.151 20 0 FCADRP COC(=O)C1(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001219999451 855912179 /nfs/dbraw/zinc/91/21/79/855912179.db2.gz UDTLSWRBOQWFDE-GFCCVEGCSA-N 2 0 370.247 0.860 20 0 FCADRP CCOC(=O)C(=CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C(=O)OCC ZINC001220043276 855931691 /nfs/dbraw/zinc/93/16/91/855931691.db2.gz LUHRSZZBCNFPDU-AWEZNQCLSA-N 2 0 357.451 0.608 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)CCCC1 ZINC001220078235 855948577 /nfs/dbraw/zinc/94/85/77/855948577.db2.gz KYZRPZMKVQYKGW-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)CCCC1 ZINC001220078039 855948631 /nfs/dbraw/zinc/94/86/31/855948631.db2.gz HBUJGMIENKSQEM-SJORKVTESA-N 2 0 353.507 0.981 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+])cc(=O)oc2c1 ZINC001220106339 855963353 /nfs/dbraw/zinc/96/33/53/855963353.db2.gz KBLJXFBDEVYTHW-LBPRGKRZSA-N 2 0 364.427 0.414 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCOC(F)(F)F ZINC001220139819 855979210 /nfs/dbraw/zinc/97/92/10/855979210.db2.gz XCOPRTURDSTAOI-QWRGUYRKSA-N 2 0 354.373 0.086 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220160014 855988445 /nfs/dbraw/zinc/98/84/45/855988445.db2.gz UYYKFQFVMLJYSC-AJNGGQMLSA-N 2 0 358.552 0.808 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220166640 855991929 /nfs/dbraw/zinc/99/19/29/855991929.db2.gz FABGFJFYEPBKAR-GLJUWKHASA-N 2 0 354.495 0.284 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220254139 856030898 /nfs/dbraw/zinc/03/08/98/856030898.db2.gz KAKVMXMEWJHTFZ-NSHDSACASA-N 2 0 354.417 0.867 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355315 856081085 /nfs/dbraw/zinc/08/10/85/856081085.db2.gz LUQSWAFMCKUNLZ-MCIONIFRSA-N 2 0 367.412 0.459 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359419 856081831 /nfs/dbraw/zinc/08/18/31/856081831.db2.gz LOVUTDNIAOSSTB-RVKKMQEKSA-N 2 0 359.486 0.787 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359775 856083369 /nfs/dbraw/zinc/08/33/69/856083369.db2.gz XUTQXKMIUDSLKC-VKJFTORMSA-N 2 0 359.486 0.787 20 0 FCADRP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220395160 856104299 /nfs/dbraw/zinc/10/42/99/856104299.db2.gz YPARUATXXIVGIJ-AWEZNQCLSA-N 2 0 355.504 0.003 20 0 FCADRP O=C(Nc1ncc(Br)[nH]c1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220398686 856106751 /nfs/dbraw/zinc/10/67/51/856106751.db2.gz IYKOIMLPNLOUTA-MRVPVSSYSA-N 2 0 356.224 0.345 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC[NH2+]C1 ZINC001220521983 856164387 /nfs/dbraw/zinc/16/43/87/856164387.db2.gz WERVVGCRMAZURK-FZKQIMNGSA-N 2 0 351.447 0.462 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC[NH2+]C1 ZINC001220521984 856164719 /nfs/dbraw/zinc/16/47/19/856164719.db2.gz WERVVGCRMAZURK-SCLBCKFNSA-N 2 0 351.447 0.462 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220521610 856165205 /nfs/dbraw/zinc/16/52/05/856165205.db2.gz JVVBNAGFXPEOQX-UGSOOPFHSA-N 2 0 351.447 0.462 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2csc(N3CC[NH2+]CC3)n2)CC[NH2+]C1 ZINC001220523502 856166153 /nfs/dbraw/zinc/16/61/53/856166153.db2.gz PXVUCMWFLDVKRH-UHFFFAOYSA-N 2 0 365.459 0.093 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@@H]1CC[NH2+]C[C@@H]1F)S(=O)(=O)c1ccccc1 ZINC001220535929 856170839 /nfs/dbraw/zinc/17/08/39/856170839.db2.gz PZGZXLWUKQKCNZ-KGLIPLIRSA-N 2 0 357.451 0.889 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@]1(N)CCC[NH2+]C1)S(=O)(=O)c1ccccc1 ZINC001220535740 856170923 /nfs/dbraw/zinc/17/09/23/856170923.db2.gz KVPOLBLEWVYITI-INIZCTEOSA-N 2 0 354.476 0.022 20 0 FCADRP CC(C)([NH3+])CN(C(=O)C[C@H]1COCC[NH2+]1)S(=O)(=O)c1ccccc1 ZINC001220535421 856171178 /nfs/dbraw/zinc/17/11/78/856171178.db2.gz AXSQNECOCMHQIV-ZDUSSCGKSA-N 2 0 355.460 0.320 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606731 856202902 /nfs/dbraw/zinc/20/29/02/856202902.db2.gz CJSKAXQEFGPZEY-RYUDHWBXSA-N 2 0 358.236 0.846 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220740740 856274305 /nfs/dbraw/zinc/27/43/05/856274305.db2.gz PXQIOKVQAZOVMU-ZACQAIPSSA-N 2 0 359.511 0.057 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)CC(C)(C)CC[NH3+] ZINC001220763436 856286259 /nfs/dbraw/zinc/28/62/59/856286259.db2.gz BUKXZYXNNQVMMN-HUUCEWRRSA-N 2 0 373.563 0.918 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803347 856309203 /nfs/dbraw/zinc/30/92/03/856309203.db2.gz FFEGHWIJBWGLDW-AJNGGQMLSA-N 2 0 359.392 0.964 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)CNC1CC[NH2+]CC1 ZINC001220871109 856350257 /nfs/dbraw/zinc/35/02/57/856350257.db2.gz SYJDTQHHMGJJMW-UHFFFAOYSA-N 2 0 356.268 0.092 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220936513 856384700 /nfs/dbraw/zinc/38/47/00/856384700.db2.gz GQKLDQOMIKAWMP-HOTGVXAUSA-N 2 0 352.504 0.579 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220994300 856411893 /nfs/dbraw/zinc/41/18/93/856411893.db2.gz KXUSIYSDMXNJTF-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056743 856437850 /nfs/dbraw/zinc/43/78/50/856437850.db2.gz ZAQJOGFZADETRW-JYJNAYRXSA-N 2 0 354.495 0.236 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC001221056357 856438096 /nfs/dbraw/zinc/43/80/96/856438096.db2.gz OWUQCTZMUBMHMQ-JYJNAYRXSA-N 2 0 352.479 0.086 20 0 FCADRP CCC(CC)[C@@H](NC(=O)CCCC[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070590 856447022 /nfs/dbraw/zinc/44/70/22/856447022.db2.gz YBCPUMPKCZWKAB-IHWGESPNSA-N 2 0 357.495 0.534 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221073110 856448938 /nfs/dbraw/zinc/44/89/38/856448938.db2.gz GODAFMGVUALMJN-KURKYZTESA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CC1CC[NH2+]CC1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148791 856484267 /nfs/dbraw/zinc/48/42/67/856484267.db2.gz PGAJKKHYDZIKLN-UHFFFAOYSA-N 2 0 366.487 0.322 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149051 856484613 /nfs/dbraw/zinc/48/46/13/856484613.db2.gz WGMGMRQXGBNBJU-INIZCTEOSA-N 2 0 368.503 0.567 20 0 FCADRP [NH3+][C@@H](CC1CCC1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148869 856484787 /nfs/dbraw/zinc/48/47/87/856484787.db2.gz RWISQUZUFNHWDF-INIZCTEOSA-N 2 0 366.487 0.450 20 0 FCADRP C[C@]1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CCC[NH2+]1 ZINC001221148713 856484796 /nfs/dbraw/zinc/48/47/96/856484796.db2.gz MFHXQVZUFIPFFG-MRXNPFEDSA-N 2 0 352.460 0.075 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001221154318 856486695 /nfs/dbraw/zinc/48/66/95/856486695.db2.gz LGPOJQHNSLUEJB-KURKYZTESA-N 2 0 353.507 0.840 20 0 FCADRP COCCOc1nccc(CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001221158100 856490246 /nfs/dbraw/zinc/49/02/46/856490246.db2.gz TUQNKTYUVWOKKQ-HNNXBMFYSA-N 2 0 353.467 0.614 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)[C@H]2C1 ZINC001279269104 862805240 /nfs/dbraw/zinc/80/52/40/862805240.db2.gz JXQXRUBAXOFZFA-YVSFHVDLSA-N 2 0 351.491 0.775 20 0 FCADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001221240098 856525569 /nfs/dbraw/zinc/52/55/69/856525569.db2.gz ZSPGEYSADRPFOG-CPUCHLNUSA-N 2 0 350.488 0.359 20 0 FCADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221248528 856528862 /nfs/dbraw/zinc/52/88/62/856528862.db2.gz ZXRBNPSLFDPTJC-CRAIPNDOSA-N 2 0 369.531 0.439 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCOc2c(F)cc(F)cc21 ZINC001221260090 856532811 /nfs/dbraw/zinc/53/28/11/856532811.db2.gz GVVYJSIPFNKJHA-HUUCEWRRSA-N 2 0 354.401 0.655 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)c1ccccc1 ZINC001221271834 856534362 /nfs/dbraw/zinc/53/43/62/856534362.db2.gz KHWJMEJFADYGEN-KUBUGBAWSA-N 2 0 362.458 0.871 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccccc1 ZINC001221271810 856534935 /nfs/dbraw/zinc/53/49/35/856534935.db2.gz JPAJPWMXXYBZAX-GZWBLTSWSA-N 3 0 370.503 0.668 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001221311894 856546015 /nfs/dbraw/zinc/54/60/15/856546015.db2.gz NORCGKZWDVGVEK-LBPRGKRZSA-N 2 0 364.427 0.706 20 0 FCADRP NC(=[NH2+])N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(=O)[C@@H]1CC[NH2+]1 ZINC001221340262 856552640 /nfs/dbraw/zinc/55/26/40/856552640.db2.gz RWCNYQXXATVZTG-KBPBESRZSA-N 3 0 363.487 0.638 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)c2csc(N3CC[NH2+]CC3)n2)c1 ZINC001221403545 856559234 /nfs/dbraw/zinc/55/92/34/856559234.db2.gz IBWFBWJSIHWCRF-CQSZACIVSA-N 2 0 361.471 0.991 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407680 856559517 /nfs/dbraw/zinc/55/95/17/856559517.db2.gz DFXOGBHGJFAFES-QWHCGFSZSA-N 2 0 364.412 0.667 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)=O)c1ccc(Cl)cc1 ZINC001221413144 856560380 /nfs/dbraw/zinc/56/03/80/856560380.db2.gz OIBFNEFZSWATQO-HOTGVXAUSA-N 2 0 371.865 0.966 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1)c1ccc(Cl)cc1 ZINC001221411972 856560414 /nfs/dbraw/zinc/56/04/14/856560414.db2.gz HQIVGWLSFUCOPW-CVEARBPZSA-N 2 0 354.882 0.637 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001221587827 856614244 /nfs/dbraw/zinc/61/42/44/856614244.db2.gz JQGSOXXASNFPAA-BZUAXINKSA-N 2 0 352.458 0.491 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221848359 856708553 /nfs/dbraw/zinc/70/85/53/856708553.db2.gz LKQLGEWIFOJFEY-FGTMMUONSA-N 2 0 353.507 0.791 20 0 FCADRP Cc1ncc(CO)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1O ZINC001279326523 862829554 /nfs/dbraw/zinc/82/95/54/862829554.db2.gz IGLIFYVNWAPINP-SJORKVTESA-N 2 0 350.463 0.035 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001221910592 856731034 /nfs/dbraw/zinc/73/10/34/856731034.db2.gz LDPSEZMBUATQFH-QZTJIDSGSA-N 2 0 353.507 0.648 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221921597 856734279 /nfs/dbraw/zinc/73/42/79/856734279.db2.gz AXGQHUARPUDLLT-FGTMMUONSA-N 2 0 355.523 0.894 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221972840 856754253 /nfs/dbraw/zinc/75/42/53/856754253.db2.gz LVWLNJPBFCNCPK-IAGOWNOFSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223239863 856903934 /nfs/dbraw/zinc/90/39/34/856903934.db2.gz PZRVGBADEBKXTL-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505421 856920874 /nfs/dbraw/zinc/92/08/74/856920874.db2.gz BAIHDVIRVZUELX-IKGGRYGDSA-N 2 0 353.507 0.648 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223698214 856938075 /nfs/dbraw/zinc/93/80/75/856938075.db2.gz YTVNEKRCIFXNCA-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223846663 856947042 /nfs/dbraw/zinc/94/70/42/856947042.db2.gz QKZUOVAGSFESDI-WBVHZDCISA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224228193 856970161 /nfs/dbraw/zinc/97/01/61/856970161.db2.gz WLQWYPBNVZMPIN-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227432 856970604 /nfs/dbraw/zinc/97/06/04/856970604.db2.gz KSCKZJILGTZNBZ-KURKYZTESA-N 2 0 353.507 0.793 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297114 857095930 /nfs/dbraw/zinc/09/59/30/857095930.db2.gz PRURPMOZGMGSCX-BRWVUGGUSA-N 2 0 350.507 0.871 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001226333494 857097596 /nfs/dbraw/zinc/09/75/96/857097596.db2.gz KNGUJCPDQQSOFZ-ZJIFWQFVSA-N 2 0 359.536 0.778 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001226766303 857124898 /nfs/dbraw/zinc/12/48/98/857124898.db2.gz LPCOGMRBRDMQIV-YNEHKIRRSA-N 2 0 353.467 0.071 20 0 FCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354326 857155955 /nfs/dbraw/zinc/15/59/55/857155955.db2.gz ARISWFSHGZLJDW-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228270227 857199188 /nfs/dbraw/zinc/19/91/88/857199188.db2.gz OUGMTCWATUNEER-BFHYXJOUSA-N 2 0 355.483 0.189 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001228262400 857199315 /nfs/dbraw/zinc/19/93/15/857199315.db2.gz SXBAYEMMRLUZJQ-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001228365997 857206117 /nfs/dbraw/zinc/20/61/17/857206117.db2.gz LFYREEPOOVJZBY-HZPDHXFCSA-N 2 0 354.495 0.250 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365327 857206299 /nfs/dbraw/zinc/20/62/99/857206299.db2.gz BQPUOIFITNVQEE-MGPQQGTHSA-N 2 0 355.483 0.189 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229230929 857260163 /nfs/dbraw/zinc/26/01/63/857260163.db2.gz KJSMOFARMSRPEG-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001229231231 857260318 /nfs/dbraw/zinc/26/03/18/857260318.db2.gz OAWIQFWHBYKCSB-CHWSQXEVSA-N 2 0 368.507 0.835 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229503515 857272760 /nfs/dbraw/zinc/27/27/60/857272760.db2.gz JXDHMMAFYUNQMQ-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229524668 857273391 /nfs/dbraw/zinc/27/33/91/857273391.db2.gz QNGWCCZZWCFIPR-BRWVUGGUSA-N 2 0 359.511 0.369 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229523701 857273598 /nfs/dbraw/zinc/27/35/98/857273598.db2.gz IPAGJBTYIUEKAS-IAGOWNOFSA-N 2 0 356.511 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001229693292 857281907 /nfs/dbraw/zinc/28/19/07/857281907.db2.gz QYNIECYEZGMOIG-DJIMGWMZSA-N 2 0 350.507 0.871 20 0 FCADRP CCn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229717812 857284314 /nfs/dbraw/zinc/28/43/14/857284314.db2.gz YHWVLYXUEYDUBF-IAGOWNOFSA-N 2 0 351.495 0.998 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001229725176 857284648 /nfs/dbraw/zinc/28/46/48/857284648.db2.gz ZIVIHCLMTFKXPE-HUUCEWRRSA-N 2 0 368.503 0.823 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001229801730 857287775 /nfs/dbraw/zinc/28/77/75/857287775.db2.gz UPVCEZYFCYXEFN-HZPDHXFCSA-N 2 0 353.511 0.761 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230141492 857306803 /nfs/dbraw/zinc/30/68/03/857306803.db2.gz MZIRMRIPRNUUFB-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)CS(C)(=O)=O ZINC001230147706 857308170 /nfs/dbraw/zinc/30/81/70/857308170.db2.gz MSBZDRSYAASALV-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230263181 857319713 /nfs/dbraw/zinc/31/97/13/857319713.db2.gz KZGNOOUWFPNSHO-ZIAGYGMSSA-N 2 0 353.467 0.074 20 0 FCADRP COCCN1[C@@]2(CC[N@H+](CCCC[NH3+])C2)c2ccccc2S1(=O)=O ZINC001235575326 857429284 /nfs/dbraw/zinc/42/92/84/857429284.db2.gz SEZUCDKBOHCQCH-QGZVFWFLSA-N 2 0 353.488 0.977 20 0 FCADRP CCOC(=O)c1c(C)[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1C ZINC001235871084 857433753 /nfs/dbraw/zinc/43/37/53/857433753.db2.gz SMSRDWLBODJSSC-UHFFFAOYSA-N 2 0 351.495 0.393 20 0 FCADRP [NH3+]CCN(CC[NH3+])Cc1cnc2[nH]cc(I)c2c1 ZINC001235877380 857434780 /nfs/dbraw/zinc/43/47/80/857434780.db2.gz OOZDQRJPCVYEQC-UHFFFAOYSA-N 2 0 359.215 0.887 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc(C(F)(F)F)s1 ZINC001236310903 857438832 /nfs/dbraw/zinc/43/88/32/857438832.db2.gz DXXDOAXRXNBDBC-UHFFFAOYSA-N 2 0 353.414 0.778 20 0 FCADRP CCOC(=O)c1ccsc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311353 857438881 /nfs/dbraw/zinc/43/88/81/857438881.db2.gz HWZCZQUDTKYMOB-UHFFFAOYSA-N 2 0 356.492 0.541 20 0 FCADRP Nc1c(Br)cccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312762 857439888 /nfs/dbraw/zinc/43/98/88/857439888.db2.gz ZJJYAKKFLFRCNK-UHFFFAOYSA-N 2 0 372.311 0.647 20 0 FCADRP CCOC(=O)[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CCC12C[NH2+]C2 ZINC001237430652 857453045 /nfs/dbraw/zinc/45/30/45/857453045.db2.gz LQVXCXQJBTVRBO-GFCCVEGCSA-N 2 0 350.488 0.763 20 0 FCADRP [NH3+]CCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001238203944 857463843 /nfs/dbraw/zinc/46/38/43/857463843.db2.gz GMXMHDGNWMQQLE-QGZVFWFLSA-N 3 0 366.531 0.366 20 0 FCADRP COc1nc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)ccc1F ZINC001238243280 857464580 /nfs/dbraw/zinc/46/45/80/857464580.db2.gz SVKXVHDZZXJLJC-NSHDSACASA-N 2 0 358.439 0.382 20 0 FCADRP COc1ccc(C2(CNS(=O)(=O)[C@H]3CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001238849252 857485018 /nfs/dbraw/zinc/48/50/18/857485018.db2.gz FPCXFRRPSBRLRU-INIZCTEOSA-N 2 0 353.488 0.598 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001238846223 857485030 /nfs/dbraw/zinc/48/50/30/857485030.db2.gz NXSOKQSFDWESQU-UHFFFAOYSA-N 2 0 366.531 0.913 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239077010 857507039 /nfs/dbraw/zinc/50/70/39/857507039.db2.gz WBWHANCIWIRRPH-MRXNPFEDSA-N 2 0 368.503 0.425 20 0 FCADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001239082795 857510128 /nfs/dbraw/zinc/51/01/28/857510128.db2.gz OBYIYAWUVYDNHP-HNNXBMFYSA-N 2 0 367.519 0.813 20 0 FCADRP C[NH+]1CCC(N(C2CC[NH2+]CC2)S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239173115 857523578 /nfs/dbraw/zinc/52/35/78/857523578.db2.gz MWFPBEOLFYDTIK-UHFFFAOYSA-N 3 0 358.552 0.464 20 0 FCADRP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001279504401 862920933 /nfs/dbraw/zinc/92/09/33/862920933.db2.gz IDWVXDHTCQPIJP-TVFCKZIOSA-N 2 0 353.507 0.912 20 0 FCADRP COc1ccc(C)cc1NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239298107 857526316 /nfs/dbraw/zinc/52/63/16/857526316.db2.gz XNHHFQLEZVGZNK-UHFFFAOYSA-N 2 0 351.451 0.651 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)Nc1c(F)cc(F)cc1F ZINC001239295596 857526773 /nfs/dbraw/zinc/52/67/73/857526773.db2.gz KEZPUNOIZANPBB-UHFFFAOYSA-N 2 0 361.368 0.752 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245999197 857563142 /nfs/dbraw/zinc/56/31/42/857563142.db2.gz ZKMREHXRBWEOBD-WNRNVDISSA-N 3 0 355.429 0.696 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]CCC[NH2+]CCCC[NH3+])cc1 ZINC001246011508 857564223 /nfs/dbraw/zinc/56/42/23/857564223.db2.gz VKSVFLCODZVAOH-SFHVURJKSA-N 3 0 353.507 0.923 20 0 FCADRP CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246012539 857564490 /nfs/dbraw/zinc/56/44/90/857564490.db2.gz AKGIFZYAYALDGC-CABCVRRESA-N 2 0 359.511 0.281 20 0 FCADRP O[C@H](CN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246029641 857565844 /nfs/dbraw/zinc/56/58/44/857565844.db2.gz RONAHRSPULVGNE-KBPBESRZSA-N 2 0 365.440 0.858 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@]1(O)CC[NH2+]C1)C2 ZINC001246031593 857566264 /nfs/dbraw/zinc/56/62/64/857566264.db2.gz CIQNLXQVTCQDMB-ZYSHUDEJSA-N 3 0 351.491 0.356 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOC2(CC[NH2+]CC2)C1 ZINC001246035062 857566301 /nfs/dbraw/zinc/56/63/01/857566301.db2.gz YOIRXGVHUUITET-DLBZAZTESA-N 3 0 355.429 0.650 20 0 FCADRP COCCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246050130 857567074 /nfs/dbraw/zinc/56/70/74/857567074.db2.gz DMYVLNNFMXWLJC-OKZBNKHCSA-N 2 0 357.445 0.896 20 0 FCADRP CCCC[C@@H](CC)COC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055943 857567469 /nfs/dbraw/zinc/56/74/69/857567469.db2.gz MYFQAELZRANBNU-RTBURBONSA-N 2 0 358.571 0.665 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)COc1ccc(Cl)cc1 ZINC001246049783 857567478 /nfs/dbraw/zinc/56/74/78/857567478.db2.gz BIJAFEFPPJFPCI-HNNXBMFYSA-N 2 0 372.897 0.196 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147215 857569538 /nfs/dbraw/zinc/56/95/38/857569538.db2.gz WHNQPRDKEKHHJQ-XSWJXKHESA-N 2 0 355.479 0.043 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCOC4(CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246259093 857571398 /nfs/dbraw/zinc/57/13/98/857571398.db2.gz ZCBPWUHCZJTXNW-IZTSSTLKSA-N 3 0 351.491 0.949 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)NC1)C1CC[NH2+]CC1 ZINC001246230826 857571499 /nfs/dbraw/zinc/57/14/99/857571499.db2.gz SSLWYAVMOQHBHK-PMPSAXMXSA-N 2 0 355.479 0.581 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C3CCN([C@H]4CC[NH2+]C4)CC3)C[C@H](C1)[NH2+]2 ZINC001246377618 857576390 /nfs/dbraw/zinc/57/63/90/857576390.db2.gz OQGPXIFQMNMTGJ-TYPVFPSXSA-N 3 0 350.507 0.475 20 0 FCADRP O=S1(=O)CCC(Cc2ccccn2)([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246447162 857579654 /nfs/dbraw/zinc/57/96/54/857579654.db2.gz PIYBJEOPVPMTQX-INIZCTEOSA-N 2 0 364.515 0.255 20 0 FCADRP CCOC(=O)C1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246463880 857581228 /nfs/dbraw/zinc/58/12/28/857581228.db2.gz HUGVWRZRMJSEQA-HFDVOGEKSA-N 2 0 353.463 0.334 20 0 FCADRP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CO1 ZINC001246518662 857583320 /nfs/dbraw/zinc/58/33/20/857583320.db2.gz ISCMXEDSFLWDOV-HRCADAONSA-N 2 0 355.479 0.807 20 0 FCADRP O=C([C@@H]1C[C@H](N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246660932 857588060 /nfs/dbraw/zinc/58/80/60/857588060.db2.gz CNLNKTYXHVKPEP-LEUOFYLZSA-N 2 0 358.511 0.821 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697124 857590580 /nfs/dbraw/zinc/59/05/80/857590580.db2.gz UBZKASKKBIFBKO-IKGGRYGDSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@@H]1CC[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C[NH2+]1 ZINC001246693638 857590745 /nfs/dbraw/zinc/59/07/45/857590745.db2.gz KXRZBIKATJHXCF-SYAUCNOPSA-N 2 0 355.508 0.095 20 0 FCADRP c1csc(COCc2nn([C@H]3CCNC4(C[NH2+]C4)C3)c3c2C[NH2+]C3)n1 ZINC001246704574 857592183 /nfs/dbraw/zinc/59/21/83/857592183.db2.gz KRWPLEBQBUBCCL-LBPRGKRZSA-N 2 0 360.487 0.926 20 0 FCADRP CS(=O)(=O)N1CCOCC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246733352 857595841 /nfs/dbraw/zinc/59/58/41/857595841.db2.gz DMFFBEQQIKCBPV-XYPWUTKMSA-N 2 0 357.520 0.643 20 0 FCADRP FC(F)(F)c1nnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)s1 ZINC001246788731 857600828 /nfs/dbraw/zinc/60/08/28/857600828.db2.gz IGJGYAUCRGIEEU-JTQLQIEISA-N 2 0 362.425 0.773 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2Cc2ccccc2)C[NH2+]1)N1CCSC1 ZINC001246832250 857601929 /nfs/dbraw/zinc/60/19/29/857601929.db2.gz FWLWAHRGHQSRLK-KSZLIROESA-N 2 0 360.527 0.766 20 0 FCADRP [NH3+][C@H]1C[C@@H](C(F)(F)F)CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246827378 857602122 /nfs/dbraw/zinc/60/21/22/857602122.db2.gz KKOIVKJUNJLMPU-RHYQMDGZSA-N 2 0 352.426 0.461 20 0 FCADRP COCCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246836177 857602925 /nfs/dbraw/zinc/60/29/25/857602925.db2.gz LYIDQUMWWHWACP-CVEARBPZSA-N 2 0 356.536 0.340 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246925738 857606826 /nfs/dbraw/zinc/60/68/26/857606826.db2.gz PDWRZKLDCMPWSY-OAHLLOKOSA-N 2 0 354.445 0.938 20 0 FCADRP CS(=O)(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246986320 857609152 /nfs/dbraw/zinc/60/91/52/857609152.db2.gz KCBDXUNUOIQSTO-HNNXBMFYSA-N 2 0 356.536 0.218 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=S)NCCNC(=O)OC(C)(C)C ZINC001248050523 857619635 /nfs/dbraw/zinc/61/96/35/857619635.db2.gz CNADDIZNFPIREL-UHFFFAOYSA-N 2 0 361.556 0.811 20 0 FCADRP C[NH+](C)Cc1ccc(-c2noc(CN(CC[NH3+])S(C)(=O)=O)n2)cc1 ZINC001248898711 857639714 /nfs/dbraw/zinc/63/97/14/857639714.db2.gz HFXGFWRKWHOOSD-UHFFFAOYSA-N 2 0 353.448 0.519 20 0 FCADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cnn(CCS(C)(=O)=O)c2)CC1 ZINC001249675379 857647778 /nfs/dbraw/zinc/64/77/78/857647778.db2.gz GFBRWASRHGQRMV-UHFFFAOYSA-N 2 0 364.475 0.818 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001249833744 857650248 /nfs/dbraw/zinc/65/02/48/857650248.db2.gz XJHMRZNFDKHVRK-SJORKVTESA-N 2 0 363.531 0.793 20 0 FCADRP C[NH+](C)CCN1CC[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251369996 857720274 /nfs/dbraw/zinc/72/02/74/857720274.db2.gz WDHKUBUHBHBRCF-SFHVURJKSA-N 2 0 356.511 0.538 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC001253063918 857856957 /nfs/dbraw/zinc/85/69/57/857856957.db2.gz HZZSPKXQUCUXPT-SFHVURJKSA-N 2 0 351.491 0.452 20 0 FCADRP OCCc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC001253162311 857866898 /nfs/dbraw/zinc/86/68/98/857866898.db2.gz HYLKSOIYSWSQGG-GOSISDBHSA-N 2 0 352.475 0.255 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001253184669 857869532 /nfs/dbraw/zinc/86/95/32/857869532.db2.gz IQONUIIDBGDHDC-BRSBDYLESA-N 2 0 353.507 0.506 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204037 857872785 /nfs/dbraw/zinc/87/27/85/857872785.db2.gz OTCOPNNEGYARFU-IRXDYDNUSA-N 2 0 351.491 0.644 20 0 FCADRP CCS(=O)(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001253337714 857881395 /nfs/dbraw/zinc/88/13/95/857881395.db2.gz QHNBVRQPVKIGHO-UHFFFAOYSA-N 2 0 358.552 0.512 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)CC1 ZINC001279609292 862977804 /nfs/dbraw/zinc/97/78/04/862977804.db2.gz NYZZXEMPUCYGAO-OKILXGFUSA-N 2 0 364.412 0.985 20 0 FCADRP COC1(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H](C2)O3)CCC1 ZINC001279614630 862978848 /nfs/dbraw/zinc/97/88/48/862978848.db2.gz BGEQZOYHVDCWQM-CALCHBBNSA-N 2 0 351.491 0.857 20 0 FCADRP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](CC4CC[NH2+]CC4)[C@@H]3C2)c1 ZINC001279614720 862978975 /nfs/dbraw/zinc/97/89/75/862978975.db2.gz ATRNRFPLDHFIIC-LSDHHAIUSA-N 2 0 353.492 0.115 20 0 FCADRP C[C@@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)OC(C)(C)C ZINC001256462355 858081589 /nfs/dbraw/zinc/08/15/89/858081589.db2.gz PPBDUWPYZBBVNQ-CHWSQXEVSA-N 2 0 360.459 0.912 20 0 FCADRP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697021 858096293 /nfs/dbraw/zinc/09/62/93/858096293.db2.gz RJFJQPGNEREREP-WWDZGPRUSA-N 2 0 352.523 0.772 20 0 FCADRP CN(C)S(=O)(=O)N1CC2(C1)CCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001279621776 862984868 /nfs/dbraw/zinc/98/48/68/862984868.db2.gz YVPNPXQHWXDJNB-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279625641 862984950 /nfs/dbraw/zinc/98/49/50/862984950.db2.gz GUWSSDYFARYJRQ-QGZVFWFLSA-N 2 0 374.551 0.301 20 0 FCADRP CCC(CC)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001257289976 858136305 /nfs/dbraw/zinc/13/63/05/858136305.db2.gz IWCHLRSZLXDWAI-UHFFFAOYSA-N 2 0 350.500 0.806 20 0 FCADRP CCC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001257309066 858137843 /nfs/dbraw/zinc/13/78/43/858137843.db2.gz NPFIMJRDDRNBKV-QGZVFWFLSA-N 2 0 350.500 0.806 20 0 FCADRP COC(=O)[C@@H]1CC[C@H](N2CC[NH+](CCCC[NH3+])CC2)C[C@H]1C(=O)OC ZINC001257731976 858157987 /nfs/dbraw/zinc/15/79/87/858157987.db2.gz FPCZCLLHYBQQPU-ARFHVFGLSA-N 2 0 355.479 0.474 20 0 FCADRP COCC[N@@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001279721634 863024399 /nfs/dbraw/zinc/02/43/99/863024399.db2.gz FQTWVQYQUCPOGR-BPQIPLTHSA-N 2 0 353.507 0.912 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@@H]1C(F)(F)F ZINC001262036130 858764339 /nfs/dbraw/zinc/76/43/39/858764339.db2.gz GYMZVSZHSKOCHS-OLZOCXBDSA-N 2 0 357.380 0.700 20 0 FCADRP C[C@]1(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)NC(=O)NC1=O ZINC001262484969 858958193 /nfs/dbraw/zinc/95/81/93/858958193.db2.gz OVZHFKQKVKUMQJ-RHSMWYFYSA-N 2 0 350.463 0.455 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)N1CC[NH2+]CCC12CCOCC2 ZINC001262556854 858998684 /nfs/dbraw/zinc/99/86/84/858998684.db2.gz DUBFENXKHYWLOY-BRWVUGGUSA-N 2 0 351.491 0.905 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)O1)[NH+](C)C ZINC001262645262 859026551 /nfs/dbraw/zinc/02/65/51/859026551.db2.gz YMNCNCSOIIXLLH-SYMSYNOKSA-N 2 0 356.511 0.447 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cn1 ZINC001262772695 859046392 /nfs/dbraw/zinc/04/63/92/859046392.db2.gz KIAYUMHGULMQFM-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001263104079 859103150 /nfs/dbraw/zinc/10/31/50/859103150.db2.gz VFFODTZUJUUJJA-GJZGRUSLSA-N 2 0 356.536 0.565 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001263104081 859103386 /nfs/dbraw/zinc/10/33/86/859103386.db2.gz VFFODTZUJUUJJA-LSDHHAIUSA-N 2 0 356.536 0.565 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094555 859308982 /nfs/dbraw/zinc/30/89/82/859308982.db2.gz LOGRPKOAXSFXPL-OAGGEKHMSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001264552257 859383711 /nfs/dbraw/zinc/38/37/11/859383711.db2.gz PLXRPZMTOCPJGE-PBHICJAKSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264650028 859413391 /nfs/dbraw/zinc/41/33/91/859413391.db2.gz BGHUULSFHSOJCS-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001270332034 859718999 /nfs/dbraw/zinc/71/89/99/859718999.db2.gz DNWLATUHULRWIX-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001270489294 859769892 /nfs/dbraw/zinc/76/98/92/859769892.db2.gz FVZWTOSDWXBJNH-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@H](C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC001270490659 859771174 /nfs/dbraw/zinc/77/11/74/859771174.db2.gz PSPIDCKZDOBGKZ-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822539 860272530 /nfs/dbraw/zinc/27/25/30/860272530.db2.gz YPJKKEYUKMJHSV-APWZRJJASA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273383946 860473573 /nfs/dbraw/zinc/47/35/73/860473573.db2.gz DLKXQOIKEFMDKL-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001273405447 860480458 /nfs/dbraw/zinc/48/04/58/860480458.db2.gz QUUJRKSJKUNOCG-LJQANCHMSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)CC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001273514635 860515201 /nfs/dbraw/zinc/51/52/01/860515201.db2.gz KAODUHUVTMSOKM-ZIAGYGMSSA-N 2 0 351.451 0.734 20 0 FCADRP CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203371 860706650 /nfs/dbraw/zinc/70/66/50/860706650.db2.gz MKORWCJRZXYMLF-SFHVURJKSA-N 2 0 352.523 0.319 20 0 FCADRP Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC001274519865 860768707 /nfs/dbraw/zinc/76/87/07/860768707.db2.gz BPOJLZDVCWDRHE-GDBMZVCRSA-N 2 0 350.463 0.766 20 0 FCADRP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275171053 860977191 /nfs/dbraw/zinc/97/71/91/860977191.db2.gz CKBFBQPJRDHAJR-HNNXBMFYSA-N 2 0 363.531 0.732 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515309 861119223 /nfs/dbraw/zinc/11/92/23/861119223.db2.gz KATLWIGJCUZEHP-IBGZPJMESA-N 2 0 352.523 0.583 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557263 861129196 /nfs/dbraw/zinc/12/91/96/861129196.db2.gz WNNHPTUWAYPJSP-SFHVURJKSA-N 2 0 371.547 0.687 20 0 FCADRP COCCOCN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557041 861129396 /nfs/dbraw/zinc/12/93/96/861129396.db2.gz SZJUFPMPGONUJI-SFHVURJKSA-N 2 0 355.479 0.252 20 0 FCADRP CCN(CC)C(=O)CN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737535 861179998 /nfs/dbraw/zinc/17/99/98/861179998.db2.gz LFDWIXFPKBPMTA-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736429 861180786 /nfs/dbraw/zinc/18/07/86/861180786.db2.gz DPOFFRJQVXQDPU-YJBOKZPZSA-N 2 0 353.463 0.098 20 0 FCADRP COC(C)(C)CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738029 861181896 /nfs/dbraw/zinc/18/18/96/861181896.db2.gz RTYNWEILFOKMBA-LJQANCHMSA-N 2 0 353.507 0.962 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743865 861187842 /nfs/dbraw/zinc/18/78/42/861187842.db2.gz ZLXJSAVEZPVEEC-LJQANCHMSA-N 3 0 352.523 0.583 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893960 863120048 /nfs/dbraw/zinc/12/00/48/863120048.db2.gz NNWYRMZLJYRYLK-MVJTYMMSSA-N 2 0 351.491 0.713 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](C[C@@H]2CCOC2)C3)CC1 ZINC001279893619 863120332 /nfs/dbraw/zinc/12/03/32/863120332.db2.gz LYNXNLUJJWJRNK-DOTOQJQBSA-N 2 0 351.491 0.572 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893957 863120369 /nfs/dbraw/zinc/12/03/69/863120369.db2.gz NNWYRMZLJYRYLK-IDCNUPLLSA-N 2 0 351.491 0.713 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@H]1CCC[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280138444 863288604 /nfs/dbraw/zinc/28/86/04/863288604.db2.gz YUZSDGQVJJFLEH-SJLPKXTDSA-N 2 0 371.547 0.639 20 0 FCADRP C[NH+](C)CCN1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280221165 863344882 /nfs/dbraw/zinc/34/48/82/863344882.db2.gz MUJQKNGOKJLWDR-BPQIPLTHSA-N 2 0 352.523 0.485 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281848400 863819173 /nfs/dbraw/zinc/81/91/73/863819173.db2.gz SSUGEPFMHGWYMR-BFYDXBDKSA-N 2 0 356.511 0.256 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001282291271 864169546 /nfs/dbraw/zinc/16/95/46/864169546.db2.gz OGTHUWKPLBVEMS-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCCC2)CC[N@@H+]1C ZINC001285115990 864611071 /nfs/dbraw/zinc/61/10/71/864611071.db2.gz NUTJBYOAGSAAEQ-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC001289833108 865293497 /nfs/dbraw/zinc/29/34/97/865293497.db2.gz HUBQHPLVYCQPGG-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294457493 865835881 /nfs/dbraw/zinc/83/58/81/865835881.db2.gz MQZDKCATKUOJGI-WMZOPIPTSA-N 2 0 350.511 0.821 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@@H+]1C ZINC001296618974 865980648 /nfs/dbraw/zinc/98/06/48/865980648.db2.gz QGVMKSVFZWTWQH-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC001349485826 866357892 /nfs/dbraw/zinc/35/78/92/866357892.db2.gz AGMPZKBMHKJWIR-HNNXBMFYSA-N 2 0 357.520 0.630 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001353109967 867350128 /nfs/dbraw/zinc/35/01/28/867350128.db2.gz NYKOEXFKNSPLTF-ZDUSSCGKSA-N 2 0 358.433 0.564 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001316596994 867361394 /nfs/dbraw/zinc/36/13/94/867361394.db2.gz SCVCFHJTKFWDNC-FRRDWIJNSA-N 2 0 366.428 0.832 20 0 FCADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458405 867427436 /nfs/dbraw/zinc/42/74/36/867427436.db2.gz REOMPSFHCSWAFJ-HOTGVXAUSA-N 2 0 354.495 0.291 20 0 FCADRP O=C(CNC(=O)NC[C@@H]1CCCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC001353515551 867441982 /nfs/dbraw/zinc/44/19/82/867441982.db2.gz ZQGONJVRENWGED-INIZCTEOSA-N 2 0 353.511 0.810 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001316761038 867460036 /nfs/dbraw/zinc/46/00/36/867460036.db2.gz SNTHCSGJTRHUKB-FGTMMUONSA-N 2 0 353.507 0.650 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC001319325323 867886408 /nfs/dbraw/zinc/88/64/08/867886408.db2.gz QEZMCKOMIDAHDG-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC001357406235 868109945 /nfs/dbraw/zinc/10/99/45/868109945.db2.gz WKQIXDOVOJYVDH-UHFFFAOYSA-N 2 0 350.463 0.456 20 0 FCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001357630273 868142302 /nfs/dbraw/zinc/14/23/02/868142302.db2.gz OXWLCMFTRNKTOH-RBSFLKMASA-N 2 0 351.495 0.497 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320868582 868302406 /nfs/dbraw/zinc/30/24/06/868302406.db2.gz GAZYJSYWQKJZQU-AWEZNQCLSA-N 2 0 350.467 0.183 20 0 FCADRP CN1C[C@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)OC1=O ZINC001324267919 869527248 /nfs/dbraw/zinc/52/72/48/869527248.db2.gz SIWHCIIUROLKFH-OAHLLOKOSA-N 2 0 354.495 0.853 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCCC1 ZINC001325383907 869871153 /nfs/dbraw/zinc/87/11/53/869871153.db2.gz WHNKILPDOWOSNT-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001326806394 870508833 /nfs/dbraw/zinc/50/88/33/870508833.db2.gz SWZADXCIPKWZQW-MRXNPFEDSA-N 2 0 354.495 0.191 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001343966532 870688168 /nfs/dbraw/zinc/68/81/68/870688168.db2.gz HVMOQODFVWCJEI-WBVHZDCISA-N 2 0 354.495 0.189 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001344727522 870997011 /nfs/dbraw/zinc/99/70/11/870997011.db2.gz HOUPEMMUXXZCGA-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)CO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001328387270 871401980 /nfs/dbraw/zinc/40/19/80/871401980.db2.gz VRFQGMBTXHFJNM-MRXNPFEDSA-N 2 0 356.511 0.212 20 0 FCADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1C ZINC001329290173 871936373 /nfs/dbraw/zinc/93/63/73/871936373.db2.gz IBQYWZSTMGJYCH-MGPQQGTHSA-N 2 0 351.499 0.686 20 0 FCADRP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001347103321 872159753 /nfs/dbraw/zinc/15/97/53/872159753.db2.gz XQIBFUGOFHGXOS-INIZCTEOSA-N 2 0 353.511 0.129 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001330237841 872537406 /nfs/dbraw/zinc/53/74/06/872537406.db2.gz ULDCRCPQJLDFBQ-CVEARBPZSA-N 2 0 351.495 0.454 20 0 FCADRP CC1CC(CNC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC001331356517 873072235 /nfs/dbraw/zinc/07/22/35/873072235.db2.gz GZYLZHMPUMBTSB-UHFFFAOYSA-N 2 0 350.507 0.824 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC001332232732 873417112 /nfs/dbraw/zinc/41/71/12/873417112.db2.gz PTQBCCASWMZCEK-OJHJNGDYSA-N 2 0 350.507 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511488 873537940 /nfs/dbraw/zinc/53/79/40/873537940.db2.gz QHBFSYQQWXMZBQ-GJZGRUSLSA-N 2 0 351.499 0.439 20 0 FCADRP CCS(=O)(=O)CCCCCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001333120697 873809795 /nfs/dbraw/zinc/80/97/95/873809795.db2.gz HIMPPGZKFHLXBV-UHFFFAOYSA-N 2 0 357.524 0.849 20 0 FCADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926149 948986838 /nfs/dbraw/zinc/98/68/38/948986838.db2.gz JJVUNHFZUVZWDK-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253477 949189598 /nfs/dbraw/zinc/18/95/98/949189598.db2.gz KBZABIYFRPXDCP-RYUDHWBXSA-N 2 0 356.434 0.085 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263594 949403135 /nfs/dbraw/zinc/40/31/35/949403135.db2.gz IHWYWICMFHODOI-DYVFJYSZSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264207 949420974 /nfs/dbraw/zinc/42/09/74/949420974.db2.gz MWRGDUYSARDFMJ-CZUORRHYSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707657 949472352 /nfs/dbraw/zinc/47/23/52/949472352.db2.gz PRLZGVPRNIBQAA-YPMHNXCESA-N 2 0 363.491 0.959 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713106 949595616 /nfs/dbraw/zinc/59/56/16/949595616.db2.gz VYDRWWMHNCWHNE-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718455 949781786 /nfs/dbraw/zinc/78/17/86/949781786.db2.gz XKPXPRNLWIDSQN-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205162 950496151 /nfs/dbraw/zinc/49/61/51/950496151.db2.gz VSXINZYMYZYGGB-WBMJQRKESA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576205572 950523347 /nfs/dbraw/zinc/52/33/47/950523347.db2.gz KBBNJJFRDLRASA-CQSZACIVSA-N 2 0 369.473 0.757 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207122 950590823 /nfs/dbraw/zinc/59/08/23/950590823.db2.gz CQHHOVIPFQGXFF-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983760 950695736 /nfs/dbraw/zinc/69/57/36/950695736.db2.gz SBTRKVYLPYKALA-CQSZACIVSA-N 2 0 356.434 0.313 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001570988605 950789413 /nfs/dbraw/zinc/78/94/13/950789413.db2.gz KNHWHQPMEKOFKN-HOTGVXAUSA-N 2 0 357.462 0.897 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004643 951151541 /nfs/dbraw/zinc/15/15/41/951151541.db2.gz OXRDIZYOSYRSMV-WCQYABFASA-N 2 0 361.475 0.713 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092043 951788925 /nfs/dbraw/zinc/78/89/25/951788925.db2.gz YMCNSXYMVJPHNZ-AWEZNQCLSA-N 2 0 357.462 0.804 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101262 951856583 /nfs/dbraw/zinc/85/65/83/951856583.db2.gz BICBXZVKIONZDJ-GFCCVEGCSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077102 952118137 /nfs/dbraw/zinc/11/81/37/952118137.db2.gz YQZGWQOUKZLQBV-XDQVBPFNSA-N 2 0 370.461 0.616 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575146451 952193963 /nfs/dbraw/zinc/19/39/63/952193963.db2.gz LEYAYPWTXZUXQC-STQMWFEESA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575146598 952195296 /nfs/dbraw/zinc/19/52/96/952195296.db2.gz LYTGVQFNLDOSEA-IHRRRGAJSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571102720 952349632 /nfs/dbraw/zinc/34/96/32/952349632.db2.gz FOWAFEDYOOXTHJ-CZUORRHYSA-N 2 0 372.477 0.673 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105719 952400368 /nfs/dbraw/zinc/40/03/68/952400368.db2.gz XLIDTPQNBBOVLP-AWEZNQCLSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCNC(=O)C1 ZINC000293432326 214173400 /nfs/dbraw/zinc/17/34/00/214173400.db2.gz UKCVDJNCRBCWHY-UHFFFAOYSA-N 2 0 370.497 0.933 20 0 FCADRP C[C@@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)C[NH+](C)C)c1)C[NH+](C)C ZINC000293661346 214190695 /nfs/dbraw/zinc/19/06/95/214190695.db2.gz FTIWNVIHLBOLHN-GJZGRUSLSA-N 2 0 363.506 0.937 20 0 FCADRP Cc1cc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn2ccnc12 ZINC000294027724 214218889 /nfs/dbraw/zinc/21/88/89/214218889.db2.gz ZZDGXFABNSJAOS-HNNXBMFYSA-N 2 0 371.441 0.762 20 0 FCADRP C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000296048813 214328668 /nfs/dbraw/zinc/32/86/68/214328668.db2.gz UYCFLSPLWILHBM-IAOVAPTHSA-N 2 0 371.503 0.327 20 0 FCADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000262088018 529870412 /nfs/dbraw/zinc/87/04/12/529870412.db2.gz LGBGUHHOCBSXAW-UHFFFAOYSA-N 2 0 359.518 0.842 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331521095 215008791 /nfs/dbraw/zinc/00/87/91/215008791.db2.gz VWGOWVAQHYKSIK-GDBMZVCRSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000331643873 215028567 /nfs/dbraw/zinc/02/85/67/215028567.db2.gz PVHPMYAWSNMVGD-UHFFFAOYSA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000331863422 215058184 /nfs/dbraw/zinc/05/81/84/215058184.db2.gz KSKJBVBXXDXDTI-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000331891012 215063816 /nfs/dbraw/zinc/06/38/16/215063816.db2.gz GNTZJMPUDFRTGM-YYIAUSFCSA-N 2 0 350.507 0.809 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)CC1 ZINC000331871880 215059519 /nfs/dbraw/zinc/05/95/19/215059519.db2.gz ZQGJLBSXYIANDC-DLBZAZTESA-N 2 0 366.506 0.143 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000332155540 215101812 /nfs/dbraw/zinc/10/18/12/215101812.db2.gz ODTMZFLCVAAVFS-WCXIOVBPSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332339084 215133832 /nfs/dbraw/zinc/13/38/32/215133832.db2.gz MRONNUAWJPWHPL-XIRDDKMYSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332511425 215164581 /nfs/dbraw/zinc/16/45/81/215164581.db2.gz DTWJNMJZDXVLRX-WBVHZDCISA-N 2 0 366.506 0.286 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000332544608 215175136 /nfs/dbraw/zinc/17/51/36/215175136.db2.gz MAAJURQNJZIGDH-INIZCTEOSA-N 2 0 365.522 0.844 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000332563315 215180131 /nfs/dbraw/zinc/18/01/31/215180131.db2.gz YBHLOLPUMIAYQZ-UHFFFAOYSA-N 2 0 350.507 0.908 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332692310 215204919 /nfs/dbraw/zinc/20/49/19/215204919.db2.gz WQHKQHOTPYTPPK-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000333139687 215240469 /nfs/dbraw/zinc/24/04/69/215240469.db2.gz YLYGNOGMJCXYDP-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@@H](C)O1 ZINC000333508798 215291560 /nfs/dbraw/zinc/29/15/60/215291560.db2.gz ITOUYVKWONUCRD-BFYDXBDKSA-N 2 0 354.495 0.506 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333639928 215304286 /nfs/dbraw/zinc/30/42/86/215304286.db2.gz UHDCRUCEWWLAAV-IBGZPJMESA-N 2 0 372.517 0.987 20 0 FCADRP CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000333628663 215304293 /nfs/dbraw/zinc/30/42/93/215304293.db2.gz GFPDYFSICBQPGD-OLZOCXBDSA-N 2 0 351.417 0.606 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643545 215305017 /nfs/dbraw/zinc/30/50/17/215305017.db2.gz IRFZFDATXSGJMT-IRXDYDNUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)C[C@@H](C)O1 ZINC000333768813 215317971 /nfs/dbraw/zinc/31/79/71/215317971.db2.gz BRTHIMKPFAIHIW-JFIYKMOQSA-N 2 0 368.522 0.896 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333853870 215324381 /nfs/dbraw/zinc/32/43/81/215324381.db2.gz QNRNTOVUFAYJML-NUJGCVRESA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852290 215324551 /nfs/dbraw/zinc/32/45/51/215324551.db2.gz QFXNNXZKYKCQCE-KZNAEPCWSA-N 2 0 367.538 0.563 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832984 215323450 /nfs/dbraw/zinc/32/34/50/215323450.db2.gz MUNGXRQFCXCDOE-ROUUACIJSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000360887460 215373039 /nfs/dbraw/zinc/37/30/39/215373039.db2.gz CWKNAZKHOWNPDS-IXDOHACOSA-N 2 0 353.511 0.032 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000360977254 215377831 /nfs/dbraw/zinc/37/78/31/215377831.db2.gz NCAPVXXAKXHXMZ-FGTMMUONSA-N 2 0 368.522 0.584 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000361106790 215380900 /nfs/dbraw/zinc/38/09/00/215380900.db2.gz OWGUWBATHZBYGU-SQNIBIBYSA-N 2 0 351.539 0.996 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccco1 ZINC000284852173 213234996 /nfs/dbraw/zinc/23/49/96/213234996.db2.gz FBRFIUONQIPLSL-OAHLLOKOSA-N 2 0 350.463 0.989 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182843 213092913 /nfs/dbraw/zinc/09/29/13/213092913.db2.gz RDFACZLULVNBLZ-RDTXWAMCSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000283991954 213049455 /nfs/dbraw/zinc/04/94/55/213049455.db2.gz OQZSNZHJYGCXHZ-DOTOQJQBSA-N 2 0 355.442 0.779 20 0 FCADRP COC[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2COC)cc1 ZINC000411913569 237103049 /nfs/dbraw/zinc/10/30/49/237103049.db2.gz ROESNYSMDAYPRL-MUGJNUQGSA-N 2 0 364.486 0.850 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413239650 237297324 /nfs/dbraw/zinc/29/73/24/237297324.db2.gz JGNGCNJBUWDAMU-OAHLLOKOSA-N 2 0 370.494 0.234 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959671 216056250 /nfs/dbraw/zinc/05/62/50/216056250.db2.gz FNPLJSQCIIKZLL-QXSJWSMHSA-N 2 0 354.470 0.478 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367027822 216066343 /nfs/dbraw/zinc/06/63/43/216066343.db2.gz HFYMDQAMQZTYPO-GOSISDBHSA-N 2 0 364.534 0.775 20 0 FCADRP [NH3+]C1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)Cc2ccccc2C1 ZINC000367178086 216087454 /nfs/dbraw/zinc/08/74/54/216087454.db2.gz GOMUTOHYWJMRMU-CQSZACIVSA-N 2 0 356.392 0.435 20 0 FCADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(CCOc2ccccc2)CC1 ZINC000367148878 216082774 /nfs/dbraw/zinc/08/27/74/216082774.db2.gz NXRCILCDKYUNMD-LJQANCHMSA-N 2 0 358.486 0.600 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000246449627 209387398 /nfs/dbraw/zinc/38/73/98/209387398.db2.gz OLRQIVDOHXXCJD-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000238018477 209362688 /nfs/dbraw/zinc/36/26/88/209362688.db2.gz BVZPSKXJUYXRDR-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237912073 209360536 /nfs/dbraw/zinc/36/05/36/209360536.db2.gz MYPHIENRBCIMHI-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000237561889 209354316 /nfs/dbraw/zinc/35/43/16/209354316.db2.gz BAZUUWGBODHEIJ-GOEBONIOSA-N 2 0 355.504 0.775 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000237178544 209349392 /nfs/dbraw/zinc/34/93/92/209349392.db2.gz LYQHSPWKIVXWLM-QGZVFWFLSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000237214778 209348917 /nfs/dbraw/zinc/34/89/17/209348917.db2.gz OLOZTAHXJRZCCA-CQSZACIVSA-N 2 0 368.503 0.094 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000237171208 209347255 /nfs/dbraw/zinc/34/72/55/209347255.db2.gz RZPBWFCBPKLNJQ-GOOCMWNKSA-N 2 0 362.478 0.420 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000236838530 209344169 /nfs/dbraw/zinc/34/41/69/209344169.db2.gz IHTNYLZSMHWOSA-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194957571 209330175 /nfs/dbraw/zinc/33/01/75/209330175.db2.gz BXQNSJXYPVFCRV-YESZJQIVSA-N 2 0 355.527 0.373 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050425 216339917 /nfs/dbraw/zinc/33/99/17/216339917.db2.gz GZXBNKGZYAPORT-SJORKVTESA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407900 216398820 /nfs/dbraw/zinc/39/88/20/216398820.db2.gz NSXZGZYNLFDCOI-GOEBONIOSA-N 2 0 351.495 0.463 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369402969 216398878 /nfs/dbraw/zinc/39/88/78/216398878.db2.gz SXRYYGCTCNBOHD-QZTJIDSGSA-N 2 0 366.554 0.044 20 0 FCADRP C[C@H](CO)[NH+](Cc1ccc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)cc1)C[C@H](C)O ZINC000276222842 212189230 /nfs/dbraw/zinc/18/92/30/212189230.db2.gz QRNDIYLINCRVKJ-MHORFTMASA-N 2 0 368.518 0.814 20 0 FCADRP C[C@H](CO)[NH+](Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188191 /nfs/dbraw/zinc/18/81/91/212188191.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 2 0 368.518 0.814 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548750 212048666 /nfs/dbraw/zinc/04/86/66/212048666.db2.gz DZDSCGYYSSVGAN-MOPGFXCFSA-N 2 0 374.533 0.791 20 0 FCADRP COCCC[N@H+](CCO)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000275416510 212022787 /nfs/dbraw/zinc/02/27/87/212022787.db2.gz GXNMRTRDVZKSNQ-UHFFFAOYSA-N 2 0 363.502 0.970 20 0 FCADRP COc1cccc(COC[C@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931487159 674117257 /nfs/dbraw/zinc/11/72/57/674117257.db2.gz UGNNMFQXFIXEOY-QGZVFWFLSA-N 2 0 352.475 0.961 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000414684630 245311565 /nfs/dbraw/zinc/31/15/65/245311565.db2.gz WLRSKSZNUZAGCE-KRWDZBQOSA-N 2 0 370.501 0.649 20 0 FCADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737732 245317709 /nfs/dbraw/zinc/31/77/09/245317709.db2.gz OIULVSIMLWYGER-HUUCEWRRSA-N 2 0 352.504 0.844 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000414879519 245327898 /nfs/dbraw/zinc/32/78/98/245327898.db2.gz OXCNRJYJWSWZRA-UHFFFAOYSA-N 2 0 374.485 0.915 20 0 FCADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000415036482 245343207 /nfs/dbraw/zinc/34/32/07/245343207.db2.gz LIQOUWPZQJMYAL-HOCLYGCPSA-N 2 0 353.488 0.925 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415126432 245349575 /nfs/dbraw/zinc/34/95/75/245349575.db2.gz MDDXYTWTEUKQHY-AWEZNQCLSA-N 2 0 360.458 0.907 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000414914369 245335153 /nfs/dbraw/zinc/33/51/53/245335153.db2.gz KOHYWJBCEKLUFU-QGZVFWFLSA-N 2 0 350.488 0.898 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415233181 245366109 /nfs/dbraw/zinc/36/61/09/245366109.db2.gz VFINOMGCNHEMMW-UHFFFAOYSA-N 2 0 361.490 0.271 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415329679 245386308 /nfs/dbraw/zinc/38/63/08/245386308.db2.gz JOPBZDYFZQFPJJ-HNNXBMFYSA-N 2 0 359.474 0.554 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931567874 674120258 /nfs/dbraw/zinc/12/02/58/674120258.db2.gz ZGLCASSHLCUCRD-HUUCEWRRSA-N 2 0 350.467 0.508 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000373505376 217025974 /nfs/dbraw/zinc/02/59/74/217025974.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076054 209157566 /nfs/dbraw/zinc/15/75/66/209157566.db2.gz LIMCNEXFEXBUOA-WMZOPIPTSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933202 217075982 /nfs/dbraw/zinc/07/59/82/217075982.db2.gz IDAGERVLUFZNDE-AWEZNQCLSA-N 2 0 366.487 0.232 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075966 217092735 /nfs/dbraw/zinc/09/27/35/217092735.db2.gz YMLDAMIQBHHCTF-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000374251894 217114449 /nfs/dbraw/zinc/11/44/49/217114449.db2.gz ZZCXGMAXZIQMKR-IRXDYDNUSA-N 2 0 367.538 0.253 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1=O ZINC000374398670 217124889 /nfs/dbraw/zinc/12/48/89/217124889.db2.gz KNMVFWMISZBUJO-WCXIOVBPSA-N 2 0 366.506 0.107 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000374753242 217167996 /nfs/dbraw/zinc/16/79/96/217167996.db2.gz ZBWLLJMBUQNJOH-CVEARBPZSA-N 2 0 351.495 0.465 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049769 245666213 /nfs/dbraw/zinc/66/62/13/245666213.db2.gz VCJGDZGUHDBRLD-DLBZAZTESA-N 2 0 367.538 0.995 20 0 FCADRP Cc1nnc(COCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000375745508 217308120 /nfs/dbraw/zinc/30/81/20/217308120.db2.gz QTJVJJPEPRXTHW-CYBMUJFWSA-N 2 0 353.492 0.648 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376269487 217377379 /nfs/dbraw/zinc/37/73/79/217377379.db2.gz IEUYTHKOXOIZTH-KRWDZBQOSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000376434749 217399250 /nfs/dbraw/zinc/39/92/50/217399250.db2.gz JGUCBDZDYNCVLJ-IRXDYDNUSA-N 2 0 367.538 0.517 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000418811278 245839612 /nfs/dbraw/zinc/83/96/12/245839612.db2.gz VQAJILAARPLCOM-BZUAXINKSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000418854744 245867265 /nfs/dbraw/zinc/86/72/65/245867265.db2.gz UAFDXZJKRHHOBN-AWEZNQCLSA-N 2 0 352.504 0.973 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419028861 245945146 /nfs/dbraw/zinc/94/51/46/245945146.db2.gz QPWFEBBESWOXSF-RBSFLKMASA-N 2 0 354.495 0.045 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419043471 245953314 /nfs/dbraw/zinc/95/33/14/245953314.db2.gz REDDMEOMNCSGNW-ZACQAIPSSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419126699 246001298 /nfs/dbraw/zinc/00/12/98/246001298.db2.gz NRJCOHPOMJMMMA-IKGGRYGDSA-N 2 0 367.538 0.008 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000419128436 246002452 /nfs/dbraw/zinc/00/24/52/246002452.db2.gz WFVBLCUXVJXBLS-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CC[NH+](C)CC1 ZINC000419128610 246003449 /nfs/dbraw/zinc/00/34/49/246003449.db2.gz WPNJJHPKJSDMOG-INIZCTEOSA-N 2 0 367.538 0.152 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000419128815 246004325 /nfs/dbraw/zinc/00/43/25/246004325.db2.gz XEGRWUVINYEYJJ-IAGOWNOFSA-N 2 0 367.538 0.008 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419151140 246019989 /nfs/dbraw/zinc/01/99/89/246019989.db2.gz NDHSEYHILGBUGC-KBPBESRZSA-N 2 0 350.488 0.636 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000419153972 246020843 /nfs/dbraw/zinc/02/08/43/246020843.db2.gz PNBAGUXCJXILGX-QZTJIDSGSA-N 2 0 364.534 0.929 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419155490 246021894 /nfs/dbraw/zinc/02/18/94/246021894.db2.gz UALQQYGUNKTKMC-OAHLLOKOSA-N 2 0 364.515 0.898 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419155488 246022243 /nfs/dbraw/zinc/02/22/43/246022243.db2.gz UALQQYGUNKTKMC-HNNXBMFYSA-N 2 0 364.515 0.898 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158029 246024139 /nfs/dbraw/zinc/02/41/39/246024139.db2.gz XEKWCAYUWWMDMY-KGLIPLIRSA-N 2 0 352.504 0.882 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCc1nccn1CCCc1ccccc1)C1CC1 ZINC000419160058 246024268 /nfs/dbraw/zinc/02/42/68/246024268.db2.gz YGKASQDCVSHXFU-KRWDZBQOSA-N 2 0 369.469 0.986 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419159309 246025143 /nfs/dbraw/zinc/02/51/43/246025143.db2.gz XBIVJSNYWPTZDK-ZACQAIPSSA-N 2 0 352.523 0.914 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132502 246006785 /nfs/dbraw/zinc/00/67/85/246006785.db2.gz BOGXWHZZSLRYMF-RDJZCZTQSA-N 2 0 362.474 0.247 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419131828 246006929 /nfs/dbraw/zinc/00/69/29/246006929.db2.gz GYRRTRSCSGXGAO-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419140347 246011004 /nfs/dbraw/zinc/01/10/04/246011004.db2.gz VSWGNZKBYLVFFC-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419143062 246013778 /nfs/dbraw/zinc/01/37/78/246013778.db2.gz YRQXFQFSSNACNA-AEFFLSMTSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144336 246013906 /nfs/dbraw/zinc/01/39/06/246013906.db2.gz GRXIIPUANJIJBN-HUUCEWRRSA-N 2 0 364.515 0.945 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419145778 246015000 /nfs/dbraw/zinc/01/50/00/246015000.db2.gz HUBPJDUSHHHXOM-CABCVRRESA-N 2 0 362.474 0.439 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419150809 246017501 /nfs/dbraw/zinc/01/75/01/246017501.db2.gz LUMCZEXEYQVBQA-ZACQAIPSSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000419148154 246018344 /nfs/dbraw/zinc/01/83/44/246018344.db2.gz JUOQZXLVSCQQLY-HOCLYGCPSA-N 2 0 362.474 0.439 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166133 246028232 /nfs/dbraw/zinc/02/82/32/246028232.db2.gz ONPAHIFOOLZWJD-ROUUACIJSA-N 2 0 374.485 0.247 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168997 246030610 /nfs/dbraw/zinc/03/06/10/246030610.db2.gz TXYUXXUKYUBUKA-QZTJIDSGSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419170899 246031808 /nfs/dbraw/zinc/03/18/08/246031808.db2.gz OGMZTROLVAXXRI-NQIIRXRSSA-N 2 0 372.513 0.865 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419196086 246046593 /nfs/dbraw/zinc/04/65/93/246046593.db2.gz WBMKGXAFTCSCDN-INIZCTEOSA-N 2 0 358.486 0.630 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000419178761 246037904 /nfs/dbraw/zinc/03/79/04/246037904.db2.gz GYAVIOWZHDSXPQ-IAGOWNOFSA-N 2 0 366.506 0.476 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419182515 246039117 /nfs/dbraw/zinc/03/91/17/246039117.db2.gz CGXVACVHEAIGMK-GOSISDBHSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419185222 246041130 /nfs/dbraw/zinc/04/11/30/246041130.db2.gz OMWJAPRAEPEUDP-IAGOWNOFSA-N 2 0 366.506 0.394 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419183575 246042086 /nfs/dbraw/zinc/04/20/86/246042086.db2.gz DPWPECQQXVEDGA-HDICACEKSA-N 2 0 370.497 0.488 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419213891 246059546 /nfs/dbraw/zinc/05/95/46/246059546.db2.gz WYNFTPISSCGDJT-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419223445 246061515 /nfs/dbraw/zinc/06/15/15/246061515.db2.gz CYOBNQLIYGSBQM-KBAYOESNSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419222030 246061665 /nfs/dbraw/zinc/06/16/65/246061665.db2.gz WPOCOMGMHWQLBE-IYBDPMFKSA-N 2 0 374.485 0.344 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000419227839 246066396 /nfs/dbraw/zinc/06/63/96/246066396.db2.gz LJNWLKGWHZBZKU-BRWVUGGUSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419229095 246066498 /nfs/dbraw/zinc/06/64/98/246066498.db2.gz NNWHFQZIXBZGQO-KBAYOESNSA-N 2 0 374.485 0.118 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229635 246066863 /nfs/dbraw/zinc/06/68/63/246066863.db2.gz PBMDQZBLCDRWJR-NVXWUHKLSA-N 2 0 350.507 0.873 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000419197594 246048756 /nfs/dbraw/zinc/04/87/56/246048756.db2.gz XVZBGEZXVWJNED-SFHVURJKSA-N 2 0 358.486 0.663 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205946 246052062 /nfs/dbraw/zinc/05/20/62/246052062.db2.gz JXLVNHYPEXIWIG-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228601 246068975 /nfs/dbraw/zinc/06/89/75/246068975.db2.gz MLVAIFVONPNJSL-LZLYRXPVSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419235294 246070787 /nfs/dbraw/zinc/07/07/87/246070787.db2.gz YTBGYZWSCZNOPZ-XMTFNYHQSA-N 2 0 362.518 0.871 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[NH2+]1 ZINC000419326746 246099455 /nfs/dbraw/zinc/09/94/55/246099455.db2.gz CITFZMHMDBVJCE-GJZGRUSLSA-N 2 0 359.474 0.371 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000419341239 246106897 /nfs/dbraw/zinc/10/68/97/246106897.db2.gz OCSZRNOKJJKILV-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419362194 246117680 /nfs/dbraw/zinc/11/76/80/246117680.db2.gz BINSPXLUJYSNDI-UHFFFAOYSA-N 2 0 372.513 0.708 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)Cc2ccccc2C1 ZINC000419379347 246124463 /nfs/dbraw/zinc/12/44/63/246124463.db2.gz WHTOTMKKDOFRDW-SJORKVTESA-N 2 0 356.470 0.022 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419375808 246125827 /nfs/dbraw/zinc/12/58/27/246125827.db2.gz RGDORGRZXOPRRN-WMLDXEAASA-N 2 0 358.486 0.398 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419378511 246125905 /nfs/dbraw/zinc/12/59/05/246125905.db2.gz VSBVGKUGEXSNIJ-IAGOWNOFSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000419414633 246149425 /nfs/dbraw/zinc/14/94/25/246149425.db2.gz UBDHBGSKJREHQJ-IOASZLSFSA-N 2 0 350.438 0.753 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000419414636 246150096 /nfs/dbraw/zinc/15/00/96/246150096.db2.gz UBDHBGSKJREHQJ-XJKCOSOUSA-N 2 0 350.438 0.753 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399703 246133931 /nfs/dbraw/zinc/13/39/31/246133931.db2.gz KEZPGGIMYXJYBO-BMGDILEWSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC(F)(F)CN)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399419 246135690 /nfs/dbraw/zinc/13/56/90/246135690.db2.gz JUJXCOCOFBIANF-HIFRSBDPSA-N 2 0 368.428 0.723 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419408020 246140855 /nfs/dbraw/zinc/14/08/55/246140855.db2.gz LFMXBSLAXHLGHV-TWMKSMIVSA-N 2 0 352.523 0.914 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419410046 246145072 /nfs/dbraw/zinc/14/50/72/246145072.db2.gz OAJMUTGOFQRTPS-HZPDHXFCSA-N 2 0 366.437 0.121 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419410505 246145095 /nfs/dbraw/zinc/14/50/95/246145095.db2.gz OOQLQCAGODXIAW-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419421530 246154571 /nfs/dbraw/zinc/15/45/71/246154571.db2.gz LMJWVCVGUHLFSY-CVEARBPZSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419425341 246155963 /nfs/dbraw/zinc/15/59/63/246155963.db2.gz PJEAEAHTFBXBQB-CRAIPNDOSA-N 2 0 358.486 0.747 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000419425159 246156049 /nfs/dbraw/zinc/15/60/49/246156049.db2.gz VIIUHENSXZWJKB-GOSISDBHSA-N 2 0 373.501 0.168 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000419425576 246157621 /nfs/dbraw/zinc/15/76/21/246157621.db2.gz WAAZAGVTZKCRHQ-SFHVURJKSA-N 2 0 373.501 0.168 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419419910 246151270 /nfs/dbraw/zinc/15/12/70/246151270.db2.gz ZOBNBLHIGXGLCZ-ZWKOTPCHSA-N 2 0 374.485 0.126 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419418949 246151605 /nfs/dbraw/zinc/15/16/05/246151605.db2.gz YUQRPVLIPHVPPM-QAPCUYQASA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419510900 246185406 /nfs/dbraw/zinc/18/54/06/246185406.db2.gz WSFJVXWNTYLZNI-SOLBZPMBSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419474878 246177283 /nfs/dbraw/zinc/17/72/83/246177283.db2.gz CTMQCAYDUZQQAC-HRCADAONSA-N 2 0 368.522 0.986 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580017 246209079 /nfs/dbraw/zinc/20/90/79/246209079.db2.gz HWNQVGFWIRQLJR-WMLDXEAASA-N 2 0 356.536 0.564 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587858 246212099 /nfs/dbraw/zinc/21/20/99/246212099.db2.gz QHNLJIWZMYRMHN-GOSISDBHSA-N 2 0 364.515 0.527 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419532450 246194676 /nfs/dbraw/zinc/19/46/76/246194676.db2.gz MSYPUBSFHMDDGV-NXHRZFHOSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419532196 246196132 /nfs/dbraw/zinc/19/61/32/246196132.db2.gz MSHXZVIGIFNCIQ-NXHRZFHOSA-N 2 0 374.485 0.118 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419539902 246198162 /nfs/dbraw/zinc/19/81/62/246198162.db2.gz QCDDRKPIPLMFFK-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C[NH2+]1 ZINC000419659552 246232511 /nfs/dbraw/zinc/23/25/11/246232511.db2.gz AGNIEISSXRYOJL-HUUCEWRRSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000419656892 246233050 /nfs/dbraw/zinc/23/30/50/246233050.db2.gz VHQREIMDFJEFEA-GOEBONIOSA-N 2 0 362.474 0.337 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624758 246223157 /nfs/dbraw/zinc/22/31/57/246223157.db2.gz AKJQNELCPVQNJR-CZUORRHYSA-N 2 0 362.474 0.594 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419720530 246269413 /nfs/dbraw/zinc/26/94/13/246269413.db2.gz ICPPYLQCHIJRSP-OAQYLSRUSA-N 2 0 370.497 0.979 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419681630 246246392 /nfs/dbraw/zinc/24/63/92/246246392.db2.gz IQTDYCZMKCNXED-HNNXBMFYSA-N 2 0 354.495 0.381 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691555 246252115 /nfs/dbraw/zinc/25/21/15/246252115.db2.gz MLRDUAQADVXCRU-AWEZNQCLSA-N 2 0 356.536 0.436 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419695280 246253961 /nfs/dbraw/zinc/25/39/61/246253961.db2.gz KSWZHHWWEIMNET-BRWVUGGUSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419701884 246256123 /nfs/dbraw/zinc/25/61/23/246256123.db2.gz BJHHSGLBPDECLS-KYHPRHEASA-N 2 0 358.486 0.974 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000419705286 246261255 /nfs/dbraw/zinc/26/12/55/246261255.db2.gz AJDUYCCMWYNIRJ-QAPCUYQASA-N 2 0 360.502 0.850 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000419706312 246261689 /nfs/dbraw/zinc/26/16/89/246261689.db2.gz CTYFCWFUIDZGPY-CRAIPNDOSA-N 2 0 360.502 0.993 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419720068 246270468 /nfs/dbraw/zinc/27/04/68/246270468.db2.gz DMJIAAFVWZALDW-HOTGVXAUSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000419710171 246263434 /nfs/dbraw/zinc/26/34/34/246263434.db2.gz LHGZOLMNXRXBAD-HNNXBMFYSA-N 2 0 360.502 0.993 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)CCCC2)CC1 ZINC000419754606 246284481 /nfs/dbraw/zinc/28/44/81/246284481.db2.gz PCZDZHUOAKHOET-OAHLLOKOSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419759536 246286332 /nfs/dbraw/zinc/28/63/32/246286332.db2.gz XTMYOSQSRQKIAI-AWEZNQCLSA-N 2 0 354.495 0.202 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000419763967 246288306 /nfs/dbraw/zinc/28/83/06/246288306.db2.gz OUHJDZPUTUFDIY-FUHWJXTLSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762351 246288526 /nfs/dbraw/zinc/28/85/26/246288526.db2.gz RSVSWPQGUHKYID-ZBFHGGJFSA-N 2 0 364.465 0.960 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000419761943 246289462 /nfs/dbraw/zinc/28/94/62/246289462.db2.gz QQASTCQKIWQKFP-IBGZPJMESA-N 2 0 362.449 0.586 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000419766916 246290694 /nfs/dbraw/zinc/29/06/94/246290694.db2.gz ZMNFMYZJVPELDO-RHSMWYFYSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778323 246293458 /nfs/dbraw/zinc/29/34/58/246293458.db2.gz OQKWYAJTTJJKOL-SWLSCSKDSA-N 2 0 352.479 0.206 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419830415 246310101 /nfs/dbraw/zinc/31/01/01/246310101.db2.gz WASCJWSBPHGJHV-MRXNPFEDSA-N 2 0 366.506 0.396 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419843916 246316925 /nfs/dbraw/zinc/31/69/25/246316925.db2.gz KLBFVUKHEHKMLJ-HDICACEKSA-N 2 0 370.497 0.835 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)o1 ZINC000419854012 246323528 /nfs/dbraw/zinc/32/35/28/246323528.db2.gz FSBFVUHLHDSYKF-HNNXBMFYSA-N 2 0 350.463 0.594 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1Cc1ccccc1 ZINC000419853753 246324335 /nfs/dbraw/zinc/32/43/35/246324335.db2.gz AYPMUPQLCNREJC-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419854626 246324653 /nfs/dbraw/zinc/32/46/53/246324653.db2.gz VMWLPFHKBMBWAI-UHFFFAOYSA-N 2 0 356.417 0.581 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419858090 246327762 /nfs/dbraw/zinc/32/77/62/246327762.db2.gz HLSAGTMJHAEPRH-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419910400 246363962 /nfs/dbraw/zinc/36/39/62/246363962.db2.gz HUSMXCQPWDRYGR-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419913365 246365788 /nfs/dbraw/zinc/36/57/88/246365788.db2.gz NSACCQXUJANFQG-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923240 246370762 /nfs/dbraw/zinc/37/07/62/246370762.db2.gz GHDSKTZZVZVMEI-QAPCUYQASA-N 2 0 374.485 0.514 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419933556 246375169 /nfs/dbraw/zinc/37/51/69/246375169.db2.gz FGHQZJNINMGVIO-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419876852 246343500 /nfs/dbraw/zinc/34/35/00/246343500.db2.gz FJVSBPVYRDUSAN-HNNXBMFYSA-N 2 0 364.465 0.832 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000419878285 246346059 /nfs/dbraw/zinc/34/60/59/246346059.db2.gz YTXORBYJCYWYTG-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419882988 246347385 /nfs/dbraw/zinc/34/73/85/246347385.db2.gz CXEGUTUQTATEIR-AEFFLSMTSA-N 2 0 373.501 0.763 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000419881561 246348215 /nfs/dbraw/zinc/34/82/15/246348215.db2.gz UOCUSNMYPNWZRB-UYSNPLJNSA-N 2 0 350.438 0.931 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419882991 246348810 /nfs/dbraw/zinc/34/88/10/246348810.db2.gz CXEGUTUQTATEIR-SJLPKXTDSA-N 2 0 373.501 0.763 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000419883628 246348891 /nfs/dbraw/zinc/34/88/91/246348891.db2.gz WJNPOGGALIIACB-HOTGVXAUSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419884248 246349456 /nfs/dbraw/zinc/34/94/56/246349456.db2.gz FUFCAELUPWBQJY-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419888835 246352705 /nfs/dbraw/zinc/35/27/05/246352705.db2.gz GDOCYAGXRNFXJS-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419891947 246353565 /nfs/dbraw/zinc/35/35/65/246353565.db2.gz UMWRDULORCUKPT-OTWHNJEPSA-N 2 0 370.497 0.978 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419890337 246354122 /nfs/dbraw/zinc/35/41/22/246354122.db2.gz MDBUQEWQZWTKFS-GJZGRUSLSA-N 2 0 354.495 0.060 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419893940 246356641 /nfs/dbraw/zinc/35/66/41/246356641.db2.gz MZTPJFBHEOWQSS-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419899888 246360280 /nfs/dbraw/zinc/36/02/80/246360280.db2.gz ZSFRYJOJSKSCEM-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000419905364 246361139 /nfs/dbraw/zinc/36/11/39/246361139.db2.gz WFKDXPBPNANWHE-CABCVRRESA-N 2 0 350.463 0.674 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419962989 246391769 /nfs/dbraw/zinc/39/17/69/246391769.db2.gz VTHJYJQWCGJYSZ-HRCADAONSA-N 2 0 368.522 0.435 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967324 246392797 /nfs/dbraw/zinc/39/27/97/246392797.db2.gz NSJVQIIFFNYWCU-RDJZCZTQSA-N 2 0 350.507 0.955 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419965846 246393644 /nfs/dbraw/zinc/39/36/44/246393644.db2.gz KKJHVFIHGNKIPO-QGZVFWFLSA-N 2 0 367.538 0.106 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419973773 246396412 /nfs/dbraw/zinc/39/64/12/246396412.db2.gz ILGVNPQYFMGJLG-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419977730 246399592 /nfs/dbraw/zinc/39/95/92/246399592.db2.gz NBBFURJOSDDVFI-HUUCEWRRSA-N 2 0 354.495 0.188 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000420454505 246564130 /nfs/dbraw/zinc/56/41/30/246564130.db2.gz LLLDYAORMDSUPM-UHFFFAOYSA-N 2 0 354.476 0.267 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000423362445 247012044 /nfs/dbraw/zinc/01/20/44/247012044.db2.gz HTEVFACHOGQNNH-LSDHHAIUSA-N 2 0 350.463 0.756 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423394921 247019478 /nfs/dbraw/zinc/01/94/78/247019478.db2.gz SLJFMUDBEYHTBE-XLIONFOSSA-N 2 0 356.470 0.880 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)nn1 ZINC000423326195 247004625 /nfs/dbraw/zinc/00/46/25/247004625.db2.gz MJDLIOHORYFLSI-UHFFFAOYSA-N 2 0 352.508 0.718 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423578008 247060255 /nfs/dbraw/zinc/06/02/55/247060255.db2.gz JRCHKEAWYFNAJV-DLBZAZTESA-N 2 0 358.486 0.882 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000423599543 247068938 /nfs/dbraw/zinc/06/89/38/247068938.db2.gz YADHVPFTGBAAGC-AEFFLSMTSA-N 2 0 358.486 0.930 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423433416 247026111 /nfs/dbraw/zinc/02/61/11/247026111.db2.gz CIZPHNIEBQTSRL-KRWDZBQOSA-N 2 0 350.507 0.908 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423451467 247029013 /nfs/dbraw/zinc/02/90/13/247029013.db2.gz VEELEXSNIXDKNU-IAGOWNOFSA-N 2 0 368.522 0.533 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000423470745 247033085 /nfs/dbraw/zinc/03/30/85/247033085.db2.gz DMHPZQIAPASJQT-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423500060 247036754 /nfs/dbraw/zinc/03/67/54/247036754.db2.gz KBDRNIUCWZTOLI-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[C@H]1[NH3+] ZINC000423608148 247072597 /nfs/dbraw/zinc/07/25/97/247072597.db2.gz KGBLJXXDGIWMLK-DZGCQCFKSA-N 2 0 352.504 0.834 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000423615492 247076277 /nfs/dbraw/zinc/07/62/77/247076277.db2.gz RGEFFNXUPOMZHN-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000423616516 247077368 /nfs/dbraw/zinc/07/73/68/247077368.db2.gz SDQCZXCBUGHOCQ-GOSISDBHSA-N 2 0 358.486 0.850 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423615222 247078036 /nfs/dbraw/zinc/07/80/36/247078036.db2.gz YFMRESSYRSYIFX-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639975 247087573 /nfs/dbraw/zinc/08/75/73/247087573.db2.gz VXDYEFBLSCONID-STQMWFEESA-N 2 0 352.401 0.048 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000423656083 247096404 /nfs/dbraw/zinc/09/64/04/247096404.db2.gz TXWAFPSUAMOYHR-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000423656139 247097110 /nfs/dbraw/zinc/09/71/10/247097110.db2.gz TZOANKHMQQFESS-GMRIPVOYSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423657352 247097849 /nfs/dbraw/zinc/09/78/49/247097849.db2.gz YRJZJTSGQGUTBP-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000423758132 247138777 /nfs/dbraw/zinc/13/87/77/247138777.db2.gz JKFLCABDGUHTNM-UHFFFAOYSA-N 2 0 359.536 0.876 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861485 247145369 /nfs/dbraw/zinc/14/53/69/247145369.db2.gz COADEDWUFXKXFT-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000423701563 247115893 /nfs/dbraw/zinc/11/58/93/247115893.db2.gz WXQGMYBPSVFJBH-BBWFWOEESA-N 2 0 368.522 0.674 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423698975 247116247 /nfs/dbraw/zinc/11/62/47/247116247.db2.gz QDYXZGWQRFFONA-RDJZCZTQSA-N 2 0 368.522 0.674 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423724838 247126327 /nfs/dbraw/zinc/12/63/27/247126327.db2.gz RWTGQSDMQMFQOK-IRXDYDNUSA-N 2 0 366.506 0.158 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000423723788 247126660 /nfs/dbraw/zinc/12/66/60/247126660.db2.gz HHVMPJJXSQBIFZ-OAGGEKHMSA-N 2 0 359.536 0.732 20 0 FCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423727318 247127709 /nfs/dbraw/zinc/12/77/09/247127709.db2.gz KQXKJSMMCCMIAQ-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP COCC[C@@]1(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]C1 ZINC000423740243 247134616 /nfs/dbraw/zinc/13/46/16/247134616.db2.gz IRXYXUVBISNCHB-MJGOQNOKSA-N 2 0 352.523 0.631 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000424142662 247172672 /nfs/dbraw/zinc/17/26/72/247172672.db2.gz IQIKHDUFRYGKRA-INIZCTEOSA-N 2 0 362.478 0.387 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424155227 247173665 /nfs/dbraw/zinc/17/36/65/247173665.db2.gz MOEQBNVXMAMDDI-HNNXBMFYSA-N 2 0 362.478 0.577 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424163871 247174738 /nfs/dbraw/zinc/17/47/38/247174738.db2.gz YFUJMSFAAGLZEA-KGLIPLIRSA-N 2 0 362.478 0.194 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218258 247177771 /nfs/dbraw/zinc/17/77/71/247177771.db2.gz RUYCWEAZDKMWAX-OKZBNKHCSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1)CC[NH2+]CC2 ZINC000424491661 247238025 /nfs/dbraw/zinc/23/80/25/247238025.db2.gz FDNJLZUTHYCWRT-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000424549641 247259830 /nfs/dbraw/zinc/25/98/30/247259830.db2.gz RXHZNMLZLFPIAI-DLBZAZTESA-N 2 0 356.470 0.717 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@@H]1C ZINC000425396795 247334520 /nfs/dbraw/zinc/33/45/20/247334520.db2.gz ZHYSHNSHOQTOBG-MWDXBVQZSA-N 2 0 350.507 0.870 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425214847 247307287 /nfs/dbraw/zinc/30/72/87/247307287.db2.gz KRQJTUVKZFVFEQ-JKSUJKDBSA-N 2 0 369.535 0.776 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430951303 247742431 /nfs/dbraw/zinc/74/24/31/247742431.db2.gz LEFQRGJRWJUXDJ-NEPJUHHUSA-N 2 0 354.476 0.720 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000433149058 247845560 /nfs/dbraw/zinc/84/55/60/247845560.db2.gz CKWZKOMBVVNHGY-LBPRGKRZSA-N 2 0 350.385 0.469 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000439202416 248114495 /nfs/dbraw/zinc/11/44/95/248114495.db2.gz FSRKGZRWGNSBTM-JKSUJKDBSA-N 2 0 354.495 0.236 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000440794935 248214420 /nfs/dbraw/zinc/21/44/20/248214420.db2.gz HMEYDUFEVOCOLT-UYSNPLJNSA-N 2 0 353.511 0.746 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253164 248245793 /nfs/dbraw/zinc/24/57/93/248245793.db2.gz AKXJDFIVTYXRNM-RCCFBDPRSA-N 2 0 352.523 0.770 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000443650877 248335214 /nfs/dbraw/zinc/33/52/14/248335214.db2.gz INFBPVWDLKJABQ-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCN(C)CC1 ZINC000446376747 248387892 /nfs/dbraw/zinc/38/78/92/248387892.db2.gz LPQFTAKOLZLPOR-PASDCYSWSA-N 2 0 352.523 0.519 20 0 FCADRP C[C@@H]1[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449815404 248467361 /nfs/dbraw/zinc/46/73/61/248467361.db2.gz QLQJRUVEEQHZPA-STLJJKNPSA-N 2 0 364.534 0.781 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000459928632 249792478 /nfs/dbraw/zinc/79/24/78/249792478.db2.gz YBNYWIXUBNOCCP-KRWDZBQOSA-N 2 0 368.522 0.234 20 0 FCADRP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000469990911 250019262 /nfs/dbraw/zinc/01/92/62/250019262.db2.gz KTZSLOOBHSFCFZ-INIZCTEOSA-N 2 0 363.458 0.915 20 0 FCADRP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470019449 250021008 /nfs/dbraw/zinc/02/10/08/250021008.db2.gz UAYBBMNUZVAXSA-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000471216189 250093131 /nfs/dbraw/zinc/09/31/31/250093131.db2.gz OFBANNWXTNAJMS-UHFFFAOYSA-N 2 0 361.490 0.683 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000471662259 250113486 /nfs/dbraw/zinc/11/34/86/250113486.db2.gz BLKWEJFMPOMMKV-LJQANCHMSA-N 2 0 364.490 0.501 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471653664 250114559 /nfs/dbraw/zinc/11/45/59/250114559.db2.gz KTUHJKSBGWHDRG-UHFFFAOYSA-N 2 0 369.554 0.624 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000473002031 250192961 /nfs/dbraw/zinc/19/29/61/250192961.db2.gz POSVYJVSLUCKKR-IRXDYDNUSA-N 2 0 356.511 0.849 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000480942866 250298983 /nfs/dbraw/zinc/29/89/83/250298983.db2.gz WIUGTCWHVAQTNY-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000480972109 250304524 /nfs/dbraw/zinc/30/45/24/250304524.db2.gz PXPOXJVFIPGTQP-UHFFFAOYSA-N 2 0 368.503 0.936 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000480979130 250304939 /nfs/dbraw/zinc/30/49/39/250304939.db2.gz LGLZCVBBUOCJFE-NXOAAHMSSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000481023055 250309100 /nfs/dbraw/zinc/30/91/00/250309100.db2.gz ZZQXVPALAPVUHP-FZKCQIBNSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000481203652 250321143 /nfs/dbraw/zinc/32/11/43/250321143.db2.gz SSRQRFYWCCPTRX-BZUAXINKSA-N 2 0 350.507 0.990 20 0 FCADRP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000481680901 250350225 /nfs/dbraw/zinc/35/02/25/250350225.db2.gz AGSIUQZPMDULSX-MRXNPFEDSA-N 2 0 359.474 0.638 20 0 FCADRP CCC1(CC)NC(=O)N(CC(=O)NCCN2CCC([NH+](C)C)CC2)C1=O ZINC000482031168 250374537 /nfs/dbraw/zinc/37/45/37/250374537.db2.gz IDUSOANIGDCTSX-UHFFFAOYSA-N 2 0 367.494 0.239 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000483383383 250439962 /nfs/dbraw/zinc/43/99/62/250439962.db2.gz SJJWMACAPQGDLY-QBPKDAKJSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000484261747 250500936 /nfs/dbraw/zinc/50/09/36/250500936.db2.gz IEHRXRZIKOPXNK-NVXWUHKLSA-N 2 0 350.507 0.966 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+](C)C1 ZINC000413907915 532989185 /nfs/dbraw/zinc/98/91/85/532989185.db2.gz TZTZITDHYJPUIY-MRXNPFEDSA-N 2 0 367.490 0.585 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CC[N@H+](C)C1 ZINC000413098734 532993532 /nfs/dbraw/zinc/99/35/32/532993532.db2.gz COWYQIAYEZXJJX-ARFHVFGLSA-N 2 0 354.495 0.996 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+](C)C1 ZINC000413511817 532995566 /nfs/dbraw/zinc/99/55/66/532995566.db2.gz XEDGAEWXNNXKKE-CABCVRRESA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+](C)C1 ZINC000413346628 532996270 /nfs/dbraw/zinc/99/62/70/532996270.db2.gz IIKCXUDDYKXLBU-CZUORRHYSA-N 2 0 358.508 0.170 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000105211080 208193437 /nfs/dbraw/zinc/19/34/37/208193437.db2.gz SBXBSUURLOFDAG-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000119220181 208357153 /nfs/dbraw/zinc/35/71/53/208357153.db2.gz AMLCNHZNBVJYNY-KURKYZTESA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119482192 208361273 /nfs/dbraw/zinc/36/12/73/208361273.db2.gz ZYJSLNIIZDUXBO-JTUUTPGSSA-N 2 0 363.506 0.606 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266663362 210377101 /nfs/dbraw/zinc/37/71/01/210377101.db2.gz HURKWDMNANHVRR-OAHLLOKOSA-N 2 0 352.398 0.679 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000177415561 209023300 /nfs/dbraw/zinc/02/33/00/209023300.db2.gz WNLBTZLSCFDODQ-MRXNPFEDSA-N 2 0 356.511 0.441 20 0 FCADRP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000177509302 209026339 /nfs/dbraw/zinc/02/63/39/209026339.db2.gz XAHDVVCGPKAXEP-GJZGRUSLSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@](O)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320857 209048439 /nfs/dbraw/zinc/04/84/39/209048439.db2.gz XRZLEOJFRNMVDO-VQIMIIECSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000178884491 209063249 /nfs/dbraw/zinc/06/32/49/209063249.db2.gz LCJUVKZBWAGKFH-UXHICEINSA-N 2 0 374.529 0.982 20 0 FCADRP O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178962848 209068544 /nfs/dbraw/zinc/06/85/44/209068544.db2.gz ZJEJVVIQXOVFMT-UHFFFAOYSA-N 2 0 363.487 0.869 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@H+](C)C1 ZINC000413616179 533478027 /nfs/dbraw/zinc/47/80/27/533478027.db2.gz RZUIQIXLQNVVGA-AWEZNQCLSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000262087990 229297661 /nfs/dbraw/zinc/29/76/61/229297661.db2.gz LFKWAPHXRDYEDW-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410502622 230108010 /nfs/dbraw/zinc/10/80/10/230108010.db2.gz IQRFGVPOINANIF-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410714840 230208005 /nfs/dbraw/zinc/20/80/05/230208005.db2.gz CHCMRWSBOXODJT-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410781319 230245154 /nfs/dbraw/zinc/24/51/54/230245154.db2.gz BSMXERTYRGSBHB-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410874810 230287185 /nfs/dbraw/zinc/28/71/85/230287185.db2.gz ULLOJDFZBHWNHR-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000562798914 491189700 /nfs/dbraw/zinc/18/97/00/491189700.db2.gz YZQKVNALYYYHAS-MRXNPFEDSA-N 2 0 365.522 0.714 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000562805126 491190231 /nfs/dbraw/zinc/19/02/31/491190231.db2.gz YDCVNFZOOJLEMQ-QZTJIDSGSA-N 2 0 356.470 0.371 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCC(=O)N1 ZINC000279234819 488926302 /nfs/dbraw/zinc/92/63/02/488926302.db2.gz NKWHMYMXTHARNE-QGZVFWFLSA-N 2 0 359.474 0.769 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000364177175 488931104 /nfs/dbraw/zinc/93/11/04/488931104.db2.gz YPPVWIBPCGWUIV-IKGGRYGDSA-N 2 0 365.522 0.317 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041719253 487838802 /nfs/dbraw/zinc/83/88/02/487838802.db2.gz ZZJLGQJMBFMVTF-UHFFFAOYSA-N 2 0 361.490 0.440 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058201 488387438 /nfs/dbraw/zinc/38/74/38/488387438.db2.gz UTCMSSVFDBMSOO-IRXDYDNUSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000074345537 488391130 /nfs/dbraw/zinc/39/11/30/488391130.db2.gz AWVGXMHFRRMICF-HOTGVXAUSA-N 2 0 353.511 0.605 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000075007704 488394343 /nfs/dbraw/zinc/39/43/43/488394343.db2.gz FUXKMJKUNBPEGV-INIZCTEOSA-N 2 0 368.522 0.533 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074877870 488394686 /nfs/dbraw/zinc/39/46/86/488394686.db2.gz JJFYCEVCCZMPAG-SJLPKXTDSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000077208632 488409269 /nfs/dbraw/zinc/40/92/69/488409269.db2.gz MNMRUCBNBZNSGI-SJORKVTESA-N 2 0 367.538 0.995 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CN3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416531 /nfs/dbraw/zinc/41/65/31/488416531.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 0 364.486 0.850 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCCCC2 ZINC000077755327 488417255 /nfs/dbraw/zinc/41/72/55/488417255.db2.gz ZAWWYZILSDNOJN-UHFFFAOYSA-N 2 0 351.499 0.639 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000077801163 488418442 /nfs/dbraw/zinc/41/84/42/488418442.db2.gz RCMKRMKQFSTLDQ-CYBMUJFWSA-N 2 0 353.433 0.758 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000077836424 488418852 /nfs/dbraw/zinc/41/88/52/488418852.db2.gz QYCPFKCYYQWCRW-HZPDHXFCSA-N 2 0 355.527 0.911 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000192646941 488423574 /nfs/dbraw/zinc/42/35/74/488423574.db2.gz WSODLBXCWVKWEY-HNNXBMFYSA-N 2 0 357.524 0.634 20 0 FCADRP CC(C)[NH+]1CCN(CCCN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000192732664 488423981 /nfs/dbraw/zinc/42/39/81/488423981.db2.gz VUJVLCBADARFBC-UHFFFAOYSA-N 2 0 365.566 0.643 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000193943173 488429963 /nfs/dbraw/zinc/42/99/63/488429963.db2.gz JMCMRAVZGBTKMB-UHFFFAOYSA-N 2 0 359.430 0.895 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)CC1 ZINC000194832726 488434243 /nfs/dbraw/zinc/43/42/43/488434243.db2.gz QHJYJZRMJXPAGH-UHFFFAOYSA-N 2 0 351.520 0.933 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000081385174 488442056 /nfs/dbraw/zinc/44/20/56/488442056.db2.gz GCZJCXGEWNARDJ-FQEVSTJZSA-N 2 0 373.545 0.869 20 0 FCADRP COc1cccc([C@H](CNC(=O)CN2CCNCC2=O)[NH+]2CCCC2)c1 ZINC000237312764 488454870 /nfs/dbraw/zinc/45/48/70/488454870.db2.gz NOKFUNXBUXKASQ-KRWDZBQOSA-N 2 0 360.458 0.380 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000246342033 488471595 /nfs/dbraw/zinc/47/15/95/488471595.db2.gz OVWUNKLGBUVSPI-ZWKOTPCHSA-N 2 0 369.554 0.526 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269239747 488481091 /nfs/dbraw/zinc/48/10/91/488481091.db2.gz AQMKRBPQMKEUSQ-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000248564034 488498160 /nfs/dbraw/zinc/49/81/60/488498160.db2.gz HPYYWJRTATUWAQ-RDJZCZTQSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1c1ccccc1F ZINC000562958071 491203009 /nfs/dbraw/zinc/20/30/09/491203009.db2.gz ICHSQANJXCFIQQ-QILLFSRXSA-N 2 0 374.460 0.776 20 0 FCADRP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)O1 ZINC000249527457 488511509 /nfs/dbraw/zinc/51/15/09/488511509.db2.gz AHNGBRQHMWLNFJ-HOTGVXAUSA-N 2 0 356.511 0.447 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cncn2C)c1 ZINC000106246461 488512845 /nfs/dbraw/zinc/51/28/45/488512845.db2.gz USDOUMSLYBNMPJ-LLVKDONJSA-N 2 0 351.432 0.445 20 0 FCADRP C[C@H]1CN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CCN1CCO ZINC000250122696 488515560 /nfs/dbraw/zinc/51/55/60/488515560.db2.gz VPDYBFMZXJBBQP-HKUYNNGSSA-N 2 0 360.502 0.500 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261669559 488530038 /nfs/dbraw/zinc/53/00/38/488530038.db2.gz GGOUYXCNVOGOMX-IBGZPJMESA-N 2 0 360.502 0.804 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261682710 488530564 /nfs/dbraw/zinc/53/05/64/488530564.db2.gz HAPLJEINEIZACU-OIISXLGYSA-N 2 0 360.458 0.829 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000261695167 488531161 /nfs/dbraw/zinc/53/11/61/488531161.db2.gz DHTIZAFCVJDYNW-TWMKSMIVSA-N 2 0 366.506 0.202 20 0 FCADRP CN(CCCNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)S(C)(=O)=O ZINC000112731239 488536248 /nfs/dbraw/zinc/53/62/48/488536248.db2.gz MQOWOEPJBDBJDS-UHFFFAOYSA-N 2 0 362.540 0.048 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000261796549 488536641 /nfs/dbraw/zinc/53/66/41/488536641.db2.gz ZLUCORGPEJFALY-BRWVUGGUSA-N 2 0 350.507 0.955 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261835644 488537919 /nfs/dbraw/zinc/53/79/19/488537919.db2.gz LEJPNCLQMVXTKP-CABCVRRESA-N 2 0 352.504 0.798 20 0 FCADRP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261843561 488538036 /nfs/dbraw/zinc/53/80/36/488538036.db2.gz LSXATZGWJMAZKO-ULQDDVLXSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@]1(C[NH3+])CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261901860 488541157 /nfs/dbraw/zinc/54/11/57/488541157.db2.gz WPVPKEGLUKNCSZ-SFHVURJKSA-N 2 0 352.523 0.808 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000262058178 488548183 /nfs/dbraw/zinc/54/81/83/488548183.db2.gz RMNQTHXFEZZNEB-GWCFXTLKSA-N 2 0 360.384 0.053 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262097181 488549867 /nfs/dbraw/zinc/54/98/67/488549867.db2.gz LWCPIDYKQRXVAT-INIZCTEOSA-N 2 0 350.467 0.578 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000262341269 488564956 /nfs/dbraw/zinc/56/49/56/488564956.db2.gz HYFBCRQYCVCDEG-LJQANCHMSA-N 2 0 360.502 0.641 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000262352974 488565559 /nfs/dbraw/zinc/56/55/59/488565559.db2.gz JJXYOQDATQBJLV-OAHLLOKOSA-N 2 0 359.536 0.780 20 0 FCADRP C[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000262458712 488571093 /nfs/dbraw/zinc/57/10/93/488571093.db2.gz WVOYLUCGOBOTPJ-HNNXBMFYSA-N 2 0 358.486 0.984 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262453067 488571200 /nfs/dbraw/zinc/57/12/00/488571200.db2.gz WFCRQYZAFPLTFH-CVEARBPZSA-N 2 0 360.458 0.701 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262459805 488571685 /nfs/dbraw/zinc/57/16/85/488571685.db2.gz WXRPQIGBDXGHHM-WBVHZDCISA-N 2 0 360.458 0.701 20 0 FCADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262472691 488571954 /nfs/dbraw/zinc/57/19/54/488571954.db2.gz ZGKWZPGGPMGUEK-UHFFFAOYSA-N 2 0 361.446 0.515 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000122111718 488575329 /nfs/dbraw/zinc/57/53/29/488575329.db2.gz VRMXEHNYMTWOCO-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000262650702 488584510 /nfs/dbraw/zinc/58/45/10/488584510.db2.gz QVEXAQALJQBWKF-MSOLQXFVSA-N 2 0 358.486 1.000 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000554520952 491207391 /nfs/dbraw/zinc/20/73/91/491207391.db2.gz NTXGVPZKTLCEHI-UHFFFAOYSA-N 2 0 373.501 0.778 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccn1 ZINC000272656112 488595641 /nfs/dbraw/zinc/59/56/41/488595641.db2.gz GTOIHZWEOHEDKG-QGZVFWFLSA-N 2 0 364.490 0.989 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1C ZINC000125826871 488604527 /nfs/dbraw/zinc/60/45/27/488604527.db2.gz NIGIDALBFKIOHL-UHFFFAOYSA-N 2 0 352.483 0.399 20 0 FCADRP O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000126049203 488606516 /nfs/dbraw/zinc/60/65/16/488606516.db2.gz OSHZPDWAMNMGHT-OAHLLOKOSA-N 2 0 366.487 0.897 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](C)C1 ZINC000127141816 488614790 /nfs/dbraw/zinc/61/47/90/488614790.db2.gz UJTIAPLRVFGSPL-RYRKJORJSA-N 2 0 358.527 0.735 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@@H+]1C1CC1 ZINC000129079004 488628926 /nfs/dbraw/zinc/62/89/26/488628926.db2.gz SZEFVBBCHUDLOY-SJORKVTESA-N 2 0 367.538 0.301 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563078919 491213097 /nfs/dbraw/zinc/21/30/97/491213097.db2.gz CSOKGMDEROQSKQ-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000563074940 491213135 /nfs/dbraw/zinc/21/31/35/491213135.db2.gz VDRBYDACETUILE-RBUKOAKNSA-N 2 0 372.513 0.926 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000130526897 488637808 /nfs/dbraw/zinc/63/78/08/488637808.db2.gz CHKPAQDZUKQEKZ-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP CCOc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000130521107 488638171 /nfs/dbraw/zinc/63/81/71/488638171.db2.gz GKDRURPRIUZMJS-UHFFFAOYSA-N 2 0 350.463 0.976 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000130581236 488638739 /nfs/dbraw/zinc/63/87/39/488638739.db2.gz ZXIAQGJUNOHDMO-UHFFFAOYSA-N 3 0 363.506 0.639 20 0 FCADRP CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000130620820 488639351 /nfs/dbraw/zinc/63/93/51/488639351.db2.gz DZVWUYHCHYPVJD-UHFFFAOYSA-N 2 0 350.463 0.976 20 0 FCADRP CN(C)S(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)co1 ZINC000131514132 488646676 /nfs/dbraw/zinc/64/66/76/488646676.db2.gz XBBPGLGSDRJAIT-UHFFFAOYSA-N 2 0 360.480 0.095 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000264242154 488657534 /nfs/dbraw/zinc/65/75/34/488657534.db2.gz BRUDLYMMSBGYKK-UHFFFAOYSA-N 2 0 361.490 0.766 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264273631 488659708 /nfs/dbraw/zinc/65/97/08/488659708.db2.gz PRTLIHNTHCVBEZ-UHFFFAOYSA-N 2 0 365.478 0.890 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662778 491216244 /nfs/dbraw/zinc/21/62/44/491216244.db2.gz XYSIUJTWJDCFFE-ZBFHGGJFSA-N 2 0 350.507 0.824 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435529 488673392 /nfs/dbraw/zinc/67/33/92/488673392.db2.gz CNRSFIJKFXUNOL-ROUUACIJSA-N 2 0 373.501 0.900 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000138441364 488682291 /nfs/dbraw/zinc/68/22/91/488682291.db2.gz YIEIYUVPHNQHPX-MRXNPFEDSA-N 2 0 351.495 0.419 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccs1 ZINC000264524609 488682393 /nfs/dbraw/zinc/68/23/93/488682393.db2.gz XCTDNBSRMGBXPT-KGLIPLIRSA-N 2 0 367.519 0.990 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000151815585 488709984 /nfs/dbraw/zinc/70/99/84/488709984.db2.gz AGVHUABWTCEKGZ-MRXNPFEDSA-N 2 0 368.522 0.585 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)Cc2ccccc2C1 ZINC000563082954 491214473 /nfs/dbraw/zinc/21/44/73/491214473.db2.gz XDSHUVIUAGRWFU-KRWDZBQOSA-N 2 0 368.485 0.859 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154531344 488744102 /nfs/dbraw/zinc/74/41/02/488744102.db2.gz AIYOHDDYIKDCIL-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146737 491219712 /nfs/dbraw/zinc/21/97/12/491219712.db2.gz OMYOXJBIEGEEIF-SJORKVTESA-N 2 0 368.522 0.740 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000154657897 488745997 /nfs/dbraw/zinc/74/59/97/488745997.db2.gz IZWNQDJAJDEOHQ-UONOGXRCSA-N 2 0 350.467 0.372 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000154657797 488746011 /nfs/dbraw/zinc/74/60/11/488746011.db2.gz IZWNQDJAJDEOHQ-ZIAGYGMSSA-N 2 0 350.467 0.372 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000563143719 491220404 /nfs/dbraw/zinc/22/04/04/491220404.db2.gz OEGBIYPMHXOQQL-SFHVURJKSA-N 2 0 356.470 0.839 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000267075612 488759023 /nfs/dbraw/zinc/75/90/23/488759023.db2.gz INLSNOHWNLPWJX-UHFFFAOYSA-N 2 0 360.502 0.621 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000267120237 488763060 /nfs/dbraw/zinc/76/30/60/488763060.db2.gz IVLUOZBJYYIDGC-UHFFFAOYSA-N 2 0 365.478 0.937 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000166186983 488811647 /nfs/dbraw/zinc/81/16/47/488811647.db2.gz ZRQLZALXOIEOCZ-QGZVFWFLSA-N 2 0 360.458 0.829 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000169212992 488812968 /nfs/dbraw/zinc/81/29/68/488812968.db2.gz YUTLKDLAIVPCPD-SJORKVTESA-N 2 0 360.458 0.780 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199381 491224415 /nfs/dbraw/zinc/22/44/15/491224415.db2.gz NNNFHCXLODTVSA-ZBFHGGJFSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000175688523 488854966 /nfs/dbraw/zinc/85/49/66/488854966.db2.gz HBWPPZPHTRMYAG-KSZLIROESA-N 2 0 368.522 0.849 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+](C)CCCOC)C2)CC1 ZINC000175738432 488855131 /nfs/dbraw/zinc/85/51/31/488855131.db2.gz ILNNAOZTUGRQBC-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000176347535 488858154 /nfs/dbraw/zinc/85/81/54/488858154.db2.gz VSPZVPDXGZIJMY-UHFFFAOYSA-N 2 0 370.538 0.879 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000180047779 488861741 /nfs/dbraw/zinc/86/17/41/488861741.db2.gz TUNPBMVXJREMIX-UHFFFAOYSA-N 2 0 364.494 0.935 20 0 FCADRP C[C@H](CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCCC1 ZINC000182138785 488864184 /nfs/dbraw/zinc/86/41/84/488864184.db2.gz ZMZKUGKOKSQGSX-OAHLLOKOSA-N 2 0 364.494 0.764 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000554797000 491225839 /nfs/dbraw/zinc/22/58/39/491225839.db2.gz UYEBROSDFRINRE-IAGOWNOFSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000329277137 488988838 /nfs/dbraw/zinc/98/88/38/488988838.db2.gz JEDPBRPIVQUMGH-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000329334823 488993952 /nfs/dbraw/zinc/99/39/52/488993952.db2.gz KXMWMNUGYAGWSO-YJBOKZPZSA-N 2 0 353.507 0.933 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288613136 488997361 /nfs/dbraw/zinc/99/73/61/488997361.db2.gz RBFSGSNWYDKGKV-SFHVURJKSA-N 2 0 372.513 0.802 20 0 FCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389218 489000123 /nfs/dbraw/zinc/00/01/23/489000123.db2.gz UJCHWUDEZNBRRY-KBPBESRZSA-N 2 0 362.478 0.238 20 0 FCADRP C[C@@H](CO)[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916727 489017305 /nfs/dbraw/zinc/01/73/05/489017305.db2.gz OLACQGPJBJNYNY-HKUYNNGSSA-N 2 0 362.518 0.794 20 0 FCADRP CNS(=O)(=O)NC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000281005267 489046241 /nfs/dbraw/zinc/04/62/41/489046241.db2.gz MZYVKLQJRAWZGY-UHFFFAOYSA-N 2 0 350.448 0.286 20 0 FCADRP COC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312017 489066402 /nfs/dbraw/zinc/06/64/02/489066402.db2.gz ZEMLLRYZVDLHRT-HOCLYGCPSA-N 2 0 373.519 0.575 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000289696761 489086994 /nfs/dbraw/zinc/08/69/94/489086994.db2.gz FEJNKNVYGVJWPO-KRWDZBQOSA-N 2 0 362.474 0.595 20 0 FCADRP CO[C@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000289831269 489096048 /nfs/dbraw/zinc/09/60/48/489096048.db2.gz BFWMJFVBQQIDQA-MRXNPFEDSA-N 2 0 354.882 0.942 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(CCO)C[C@@H](C)O)CC1 ZINC000289928619 489103119 /nfs/dbraw/zinc/10/31/19/489103119.db2.gz UUHWRYTXAMTLLU-GOSISDBHSA-N 2 0 363.502 0.704 20 0 FCADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289964510 489105064 /nfs/dbraw/zinc/10/50/64/489105064.db2.gz XDXYCOSJAVVCNS-GOSISDBHSA-N 2 0 366.531 0.939 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000570323528 491234110 /nfs/dbraw/zinc/23/41/10/491234110.db2.gz VJWMQIVDHGPTIL-OAHLLOKOSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290415893 489138275 /nfs/dbraw/zinc/13/82/75/489138275.db2.gz JJSADDJFZSOVGC-CVEARBPZSA-N 2 0 359.474 0.625 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)[C@H]2C1 ZINC000290608725 489152613 /nfs/dbraw/zinc/15/26/13/489152613.db2.gz RQYXZQGECSULIW-PMPSAXMXSA-N 2 0 357.458 0.329 20 0 FCADRP C[C@@H]1OCC[C@@]12CN(C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)CCO2 ZINC000366308390 489169504 /nfs/dbraw/zinc/16/95/04/489169504.db2.gz HLTWTGRFNZARMR-TXPKVOOTSA-N 2 0 366.506 0.744 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000563324534 491236953 /nfs/dbraw/zinc/23/69/53/491236953.db2.gz UBFZRMATHGZSTB-QGZVFWFLSA-N 2 0 369.554 0.032 20 0 FCADRP CN1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000366465461 489186171 /nfs/dbraw/zinc/18/61/71/489186171.db2.gz XPMSBBYMHQKSHU-ROUUACIJSA-N 2 0 366.506 0.602 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570393986 491238107 /nfs/dbraw/zinc/23/81/07/491238107.db2.gz YUEGVXKFOMLPRM-QGZVFWFLSA-N 2 0 369.473 0.820 20 0 FCADRP COCCOC[C@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000295399015 489192697 /nfs/dbraw/zinc/19/26/97/489192697.db2.gz WAGJUZYDWJYRDD-HXUWFJFHSA-N 2 0 365.518 0.760 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000366553467 489193996 /nfs/dbraw/zinc/19/39/96/489193996.db2.gz GZTSVJVBRGGVDR-CRAIPNDOSA-N 2 0 368.522 0.584 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1[NH+](C)C ZINC000331381242 489204276 /nfs/dbraw/zinc/20/42/76/489204276.db2.gz FNPUZAHQJSCVGP-WMLDXEAASA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000331447066 489212540 /nfs/dbraw/zinc/21/25/40/489212540.db2.gz CFFKYZGJSJIRIR-JONQDZQNSA-N 2 0 350.507 0.727 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000332773284 489228267 /nfs/dbraw/zinc/22/82/67/489228267.db2.gz GJHNTVZWHDIWMI-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283231459 489230864 /nfs/dbraw/zinc/23/08/64/489230864.db2.gz AIGUJDQGVOHURB-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C)C1 ZINC000332834627 489237439 /nfs/dbraw/zinc/23/74/39/489237439.db2.gz HUZQAVRZEILUSM-CYGHRXIMSA-N 2 0 368.522 0.461 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283328564 489245656 /nfs/dbraw/zinc/24/56/56/489245656.db2.gz GCNXGNXAWJXAAL-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000563397173 491241850 /nfs/dbraw/zinc/24/18/50/491241850.db2.gz QRNUPOGLHPHPTA-WMZOPIPTSA-N 2 0 353.532 0.777 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000332970250 489252214 /nfs/dbraw/zinc/25/22/14/489252214.db2.gz XACZTDVMKHLCQX-OWCLPIDISA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCSC1 ZINC000333445638 489261254 /nfs/dbraw/zinc/26/12/54/489261254.db2.gz WTRCLPLOUITIDC-VYDXJSESSA-N 2 0 356.536 0.962 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333980416 489264285 /nfs/dbraw/zinc/26/42/85/489264285.db2.gz AIMWUUVJSKRAHT-UHFFFAOYSA-N 2 0 354.495 0.463 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000369698993 489266549 /nfs/dbraw/zinc/26/65/49/489266549.db2.gz ZKDNEYQTRRRIPI-OAHLLOKOSA-N 2 0 364.494 1.162 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738428 489269517 /nfs/dbraw/zinc/26/95/17/489269517.db2.gz XVWYCBDPMJJMLO-NXHRZFHOSA-N 2 0 366.506 0.744 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546523 489273153 /nfs/dbraw/zinc/27/31/53/489273153.db2.gz SCTADHGXFFCWQU-HHXXYDBFSA-N 2 0 370.497 0.976 20 0 FCADRP CO[C@H]1C[C@@H]2C(=O)N(CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C(=O)N2C1 ZINC000349303734 489286424 /nfs/dbraw/zinc/28/64/24/489286424.db2.gz AOCGLTRVQBDQBQ-DLBZAZTESA-N 2 0 373.457 0.645 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)nc2)C1 ZINC000284617610 489313488 /nfs/dbraw/zinc/31/34/88/489313488.db2.gz XVQNJMSUHUFZHD-INIZCTEOSA-N 2 0 359.474 0.851 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000284879015 489315352 /nfs/dbraw/zinc/31/53/52/489315352.db2.gz GJLWANBNQXFKAO-INIZCTEOSA-N 2 0 350.438 0.755 20 0 FCADRP NC(=O)NC(=O)CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286001619 489344145 /nfs/dbraw/zinc/34/41/45/489344145.db2.gz OVVZHQXVIDCGNH-GOSISDBHSA-N 2 0 373.501 0.854 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000563459823 491249512 /nfs/dbraw/zinc/24/95/12/491249512.db2.gz ZHKHEPSEJJQXJM-ZWKOTPCHSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000359870682 489357804 /nfs/dbraw/zinc/35/78/04/489357804.db2.gz MJDIMBKMIXMYDM-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CCCO1 ZINC000563471579 491250063 /nfs/dbraw/zinc/25/00/63/491250063.db2.gz FTTWLVOOJSOYTJ-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000286220085 489370117 /nfs/dbraw/zinc/37/01/17/489370117.db2.gz YUAHNMRKPIDEHA-MRXNPFEDSA-N 2 0 364.490 0.318 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+](C)C1CC1 ZINC000286337524 489381315 /nfs/dbraw/zinc/38/13/15/489381315.db2.gz BPWOMFOHHQNJML-CQSZACIVSA-N 2 0 364.465 0.973 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000299197016 489416287 /nfs/dbraw/zinc/41/62/87/489416287.db2.gz TXKZBYMIAIOIIX-UHFFFAOYSA-N 2 0 352.454 0.736 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@]1(C)C[NH3+] ZINC000563545964 491254205 /nfs/dbraw/zinc/25/42/05/491254205.db2.gz ZIFXWHHLETWWER-DNVCBOLYSA-N 2 0 360.506 0.960 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000570679766 491257273 /nfs/dbraw/zinc/25/72/73/491257273.db2.gz XWYFRPGDZGURSQ-ZBFHGGJFSA-N 2 0 362.478 0.125 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371027049 489440161 /nfs/dbraw/zinc/44/01/61/489440161.db2.gz FPIQXPKBWNKBJN-QGZVFWFLSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@]1(C)C[NH3+] ZINC000563615123 491258436 /nfs/dbraw/zinc/25/84/36/491258436.db2.gz XRQSXROMSZKBLK-IIDMSEBBSA-N 2 0 351.495 0.167 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)n1C ZINC000287062559 489457007 /nfs/dbraw/zinc/45/70/07/489457007.db2.gz TZUIEVYWRLCWAC-ZDUSSCGKSA-N 2 0 359.434 0.579 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC(=O)NC(N)=O)CC2)CC1 ZINC000371159006 489458382 /nfs/dbraw/zinc/45/83/82/489458382.db2.gz YQFCSUOLMYZCAO-UHFFFAOYSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000363443110 489467534 /nfs/dbraw/zinc/46/75/34/489467534.db2.gz CBMUGXNXIDMHJV-FUHWJXTLSA-N 2 0 351.539 0.996 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558160 489488417 /nfs/dbraw/zinc/48/84/17/489488417.db2.gz PIELFGUUAUCHCW-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000423161903 489497988 /nfs/dbraw/zinc/49/79/88/489497988.db2.gz JZJITHPCGDCASY-AWEZNQCLSA-N 2 0 350.438 0.536 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423162691 489498121 /nfs/dbraw/zinc/49/81/21/489498121.db2.gz LPPXPGZJJHNOFT-UHFFFAOYSA-N 2 0 350.438 0.666 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(C[NH3+])CC2)o1 ZINC000423163253 489498386 /nfs/dbraw/zinc/49/83/86/489498386.db2.gz MHWXDCQUHPSMMP-UHFFFAOYSA-N 2 0 350.463 0.676 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162992 489498418 /nfs/dbraw/zinc/49/84/18/489498418.db2.gz LZXRPDOBPXPPDD-SJORKVTESA-N 2 0 359.474 0.454 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC000423173145 489499397 /nfs/dbraw/zinc/49/93/97/489499397.db2.gz XDUWKMPZOBETGG-CVEARBPZSA-N 2 0 362.474 0.546 20 0 FCADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423189179 489500842 /nfs/dbraw/zinc/50/08/42/489500842.db2.gz QLNVNSJPPDSEIR-HNNXBMFYSA-N 2 0 354.520 0.897 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423199120 489501641 /nfs/dbraw/zinc/50/16/41/489501641.db2.gz JCLRPZBEHVDTID-GOSISDBHSA-N 2 0 374.485 0.296 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000423200209 489501854 /nfs/dbraw/zinc/50/18/54/489501854.db2.gz DWHJPVQVDGFFHA-UHFFFAOYSA-N 2 0 370.444 0.923 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000423201276 489501879 /nfs/dbraw/zinc/50/18/79/489501879.db2.gz OICUIPRIAWNGEQ-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423204232 489502020 /nfs/dbraw/zinc/50/20/20/489502020.db2.gz DFDUXOBYHBDHQP-MWDXBVQZSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423199400 489502322 /nfs/dbraw/zinc/50/23/22/489502322.db2.gz BHSVJJWPTFNNPO-HNNXBMFYSA-N 2 0 368.428 0.805 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555614085 491259581 /nfs/dbraw/zinc/25/95/81/491259581.db2.gz ILXCICYIRZXSGD-UHFFFAOYSA-N 2 0 356.511 0.496 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423301089 489512480 /nfs/dbraw/zinc/51/24/80/489512480.db2.gz FLSAUMQOHJRXOJ-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000415379712 489516408 /nfs/dbraw/zinc/51/64/08/489516408.db2.gz OKTZYHUXOXEYHB-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415388655 489516857 /nfs/dbraw/zinc/51/68/57/489516857.db2.gz YNPGQNNEILSHAU-MRXNPFEDSA-N 2 0 373.501 0.944 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415419010 489519259 /nfs/dbraw/zinc/51/92/59/489519259.db2.gz PPOUMAGPSCBRLS-OAHLLOKOSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000415540003 489527947 /nfs/dbraw/zinc/52/79/47/489527947.db2.gz NIVCGWYKRLWHTK-SFHVURJKSA-N 2 0 373.501 0.616 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843532 489533384 /nfs/dbraw/zinc/53/33/84/489533384.db2.gz JIFUIQVVDHRCDS-LSDHHAIUSA-N 2 0 367.494 0.191 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843530 489533439 /nfs/dbraw/zinc/53/34/39/489533439.db2.gz JIFUIQVVDHRCDS-HUUCEWRRSA-N 2 0 367.494 0.191 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000415667801 489540258 /nfs/dbraw/zinc/54/02/58/489540258.db2.gz YOALIMIKNXMEOD-OAHLLOKOSA-N 2 0 361.490 0.881 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415670565 489540768 /nfs/dbraw/zinc/54/07/68/489540768.db2.gz HSMFHJAUUNACFM-GASCZTMLSA-N 2 0 360.458 0.552 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1C[NH2+]C1 ZINC000415747598 489549485 /nfs/dbraw/zinc/54/94/85/489549485.db2.gz VJPHPMIUBGHUET-UHFFFAOYSA-N 2 0 362.499 0.647 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000454093310 489562667 /nfs/dbraw/zinc/56/26/67/489562667.db2.gz JTFCXJMVWOKWBH-HNNXBMFYSA-N 2 0 356.430 1.147 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000555660234 491263050 /nfs/dbraw/zinc/26/30/50/491263050.db2.gz FPKGCOQXWCRYNX-KRWDZBQOSA-N 2 0 370.538 0.694 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957018 489565911 /nfs/dbraw/zinc/56/59/11/489565911.db2.gz SQZBYPQQFLVHJB-UHFFFAOYSA-N 2 0 365.482 0.366 20 0 FCADRP Cc1cccc([C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312361 489569452 /nfs/dbraw/zinc/56/94/52/489569452.db2.gz WFIXUFFERHHICF-UXHICEINSA-N 2 0 372.513 0.874 20 0 FCADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC ZINC000454430443 489569528 /nfs/dbraw/zinc/56/95/28/489569528.db2.gz RMOGMQYHYKHUMC-MRXNPFEDSA-N 2 0 362.478 0.418 20 0 FCADRP CNC(=O)C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454422048 489569906 /nfs/dbraw/zinc/56/99/06/489569906.db2.gz LJUKNUITQFKHAR-HNNXBMFYSA-N 2 0 362.478 0.418 20 0 FCADRP CCN1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000454435357 489570007 /nfs/dbraw/zinc/57/00/07/489570007.db2.gz WAAWIWMVERHDOB-MRXNPFEDSA-N 2 0 374.489 0.514 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2nccn2C)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000570786188 491264465 /nfs/dbraw/zinc/26/44/65/491264465.db2.gz SEVBCVUVTIWJOP-IJEWVQPXSA-N 2 0 355.442 0.835 20 0 FCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000372399405 489580745 /nfs/dbraw/zinc/58/07/45/489580745.db2.gz JROVQLXQORRPPN-GOSISDBHSA-N 2 0 358.486 0.005 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000555670158 491264672 /nfs/dbraw/zinc/26/46/72/491264672.db2.gz INTFXQIWCGTFKF-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+](C)C1CC1 ZINC000427087315 489593629 /nfs/dbraw/zinc/59/36/29/489593629.db2.gz NRMZKFMSMXVHSS-CYBMUJFWSA-N 2 0 362.478 0.687 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000455613555 489596746 /nfs/dbraw/zinc/59/67/46/489596746.db2.gz NOQJFADJMPBAHJ-UHFFFAOYSA-N 2 0 365.522 0.810 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728673 491266458 /nfs/dbraw/zinc/26/64/58/491266458.db2.gz ADYGYJMUXRAAAJ-FUHWJXTLSA-N 2 0 358.486 0.628 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676036 489622711 /nfs/dbraw/zinc/62/27/11/489622711.db2.gz XNGGGVZJIFCTRZ-JFIYKMOQSA-N 2 0 365.522 0.175 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000416937291 489634505 /nfs/dbraw/zinc/63/45/05/489634505.db2.gz CXTVCYXMFKAVRU-IXDOHACOSA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000416946824 489635651 /nfs/dbraw/zinc/63/56/51/489635651.db2.gz XQPCMWDNEMSMQV-OAHLLOKOSA-N 2 0 353.511 0.603 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000417017300 489638424 /nfs/dbraw/zinc/63/84/24/489638424.db2.gz JAYUDZQULMIXTF-GOSISDBHSA-N 2 0 363.506 0.328 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000417017301 489638608 /nfs/dbraw/zinc/63/86/08/489638608.db2.gz JAYUDZQULMIXTF-SFHVURJKSA-N 2 0 363.506 0.328 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000417430841 489652438 /nfs/dbraw/zinc/65/24/38/489652438.db2.gz QDNMNCCYFPATPD-OWCLPIDISA-N 2 0 353.511 0.698 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417447367 489654218 /nfs/dbraw/zinc/65/42/18/489654218.db2.gz PDMNAZCZGYBENR-LXZKKBNFSA-N 2 0 353.511 0.663 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000417460620 489655081 /nfs/dbraw/zinc/65/50/81/489655081.db2.gz RCFIQQXOQUBHPJ-INIZCTEOSA-N 2 0 350.463 0.886 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417614901 489659637 /nfs/dbraw/zinc/65/96/37/489659637.db2.gz WIUUXLKWGHVBHM-INIZCTEOSA-N 2 0 353.511 0.572 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000417663743 489661063 /nfs/dbraw/zinc/66/10/63/489661063.db2.gz AOQKSCCKLMQHCM-BBWFWOEESA-N 2 0 355.527 0.326 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000417710347 489662190 /nfs/dbraw/zinc/66/21/90/489662190.db2.gz PIFCYPHQBKQNHK-HUUCEWRRSA-N 2 0 351.495 0.500 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762685 489663334 /nfs/dbraw/zinc/66/33/34/489663334.db2.gz XVLUFGQCJYFKMY-MRXNPFEDSA-N 2 0 351.495 0.500 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417750249 489663864 /nfs/dbraw/zinc/66/38/64/489663864.db2.gz KKZPVIIRNDNPOJ-WMZOPIPTSA-N 2 0 355.527 0.328 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000417781584 489665207 /nfs/dbraw/zinc/66/52/07/489665207.db2.gz KBSKBOKRKNJDIJ-WFASDCNBSA-N 2 0 354.476 0.770 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000417853104 489668544 /nfs/dbraw/zinc/66/85/44/489668544.db2.gz RRDRTHQXXJGRJK-OAHLLOKOSA-N 2 0 353.511 0.664 20 0 FCADRP C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000417852985 489668747 /nfs/dbraw/zinc/66/87/47/489668747.db2.gz HTYIXCPTUXWULX-UNEWFSDZSA-N 2 0 367.538 0.909 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417864014 489669058 /nfs/dbraw/zinc/66/90/58/489669058.db2.gz AWQRFEUMTISDOG-KBMXLJTQSA-N 2 0 351.495 0.498 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373110425 489669691 /nfs/dbraw/zinc/66/96/91/489669691.db2.gz NXHYXSSWOYQGMZ-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458326750 489677236 /nfs/dbraw/zinc/67/72/36/489677236.db2.gz BGPBFZKPGHFPBW-KRWDZBQOSA-N 2 0 368.522 0.777 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067976 489677238 /nfs/dbraw/zinc/67/72/38/489677238.db2.gz CONHRLGJFIOEHY-ROUUACIJSA-N 2 0 362.474 0.647 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458407330 489681378 /nfs/dbraw/zinc/68/13/78/489681378.db2.gz CXONAICMKDYUQO-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000418182684 489683180 /nfs/dbraw/zinc/68/31/80/489683180.db2.gz OBCNRAGNYGWCNN-BFZKSOEOSA-N 2 0 365.522 0.696 20 0 FCADRP CCN1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]C[C@H]2O)[C@@H]1c1ccccc1 ZINC000418189190 489683671 /nfs/dbraw/zinc/68/36/71/489683671.db2.gz VBZRCQJBFYZJMK-BDXSIMOUSA-N 2 0 362.474 0.328 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000555756391 491271062 /nfs/dbraw/zinc/27/10/62/491271062.db2.gz FUTBXOIIYWJWLH-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462159 489684662 /nfs/dbraw/zinc/68/46/62/489684662.db2.gz PUDOTNVYGKRZEH-ROUUACIJSA-N 2 0 369.554 0.406 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823303 491271299 /nfs/dbraw/zinc/27/12/99/491271299.db2.gz YOLVFAWBMSXNQS-NXNVCVFFSA-N 2 0 363.506 0.593 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823302 491271306 /nfs/dbraw/zinc/27/13/06/491271306.db2.gz YOLVFAWBMSXNQS-HDEZJCGLSA-N 2 0 363.506 0.593 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429446090 489687862 /nfs/dbraw/zinc/68/78/62/489687862.db2.gz GMRVDUBFAGJAMK-JKSUJKDBSA-N 2 0 364.556 0.545 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000418290292 489688809 /nfs/dbraw/zinc/68/88/09/489688809.db2.gz QOLVPPXHDPCYNF-UHFFFAOYSA-N 2 0 353.511 0.036 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418391461 489695593 /nfs/dbraw/zinc/69/55/93/489695593.db2.gz VDFJMQSZLQFGLF-SJORKVTESA-N 2 0 363.506 0.558 20 0 FCADRP CCC[NH2+]CCNC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000418488649 489702109 /nfs/dbraw/zinc/70/21/09/489702109.db2.gz LKPZNSCLDIMUOI-UHFFFAOYSA-N 2 0 367.538 0.962 20 0 FCADRP C[C@]1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[NH2+]C1 ZINC000418559336 489707049 /nfs/dbraw/zinc/70/70/49/489707049.db2.gz XZERBMOEBXCBTQ-SFHVURJKSA-N 2 0 353.511 0.668 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418605631 489709733 /nfs/dbraw/zinc/70/97/33/489709733.db2.gz AYCSSHMMDXZKSW-UONOGXRCSA-N 2 0 365.444 0.948 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000418610262 489710213 /nfs/dbraw/zinc/71/02/13/489710213.db2.gz GRHLESZSEKSVPA-JHJVBQTASA-N 2 0 351.417 0.449 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611550 489710631 /nfs/dbraw/zinc/71/06/31/489710631.db2.gz HVSVDDPEBCGJPY-CYBMUJFWSA-N 2 0 351.417 0.558 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418628764 489712395 /nfs/dbraw/zinc/71/23/95/489712395.db2.gz CRMRAQVLDLZQOD-DLBZAZTESA-N 2 0 359.474 0.512 20 0 FCADRP COC[C@]1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000418642759 489714329 /nfs/dbraw/zinc/71/43/29/489714329.db2.gz TXJPCJWDKAFQFE-GOSISDBHSA-N 2 0 369.510 0.046 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418636577 489714477 /nfs/dbraw/zinc/71/44/77/489714477.db2.gz MJLLIYLXVAVJAP-WMZOPIPTSA-N 2 0 373.501 0.903 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418649084 489715554 /nfs/dbraw/zinc/71/55/54/489715554.db2.gz VPTDDHAUCXKWCW-CABCVRRESA-N 2 0 353.511 0.794 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418724675 489720128 /nfs/dbraw/zinc/72/01/28/489720128.db2.gz OLVXTOOWINVUCP-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000418755733 489722913 /nfs/dbraw/zinc/72/29/13/489722913.db2.gz GGYGMZITWPSUND-QGZVFWFLSA-N 2 0 363.506 0.672 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000418773074 489724708 /nfs/dbraw/zinc/72/47/08/489724708.db2.gz XIVLHEGIVDCPBW-QGZVFWFLSA-N 2 0 351.470 0.803 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418772469 489725050 /nfs/dbraw/zinc/72/50/50/489725050.db2.gz WRECSLRMRGNNBJ-INIZCTEOSA-N 2 0 369.460 0.942 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000418769947 489725141 /nfs/dbraw/zinc/72/51/41/489725141.db2.gz QDLLAVQQUMUUOO-KRWDZBQOSA-N 2 0 350.463 0.757 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810273 489733946 /nfs/dbraw/zinc/73/39/46/489733946.db2.gz HAFVNNLPNCBFEA-OXJNMPFZSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2ccccn2)CC1 ZINC000489943576 489736797 /nfs/dbraw/zinc/73/67/97/489736797.db2.gz UFXZKTXEBAJFLE-GOSISDBHSA-N 2 0 372.517 0.100 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987093 489739100 /nfs/dbraw/zinc/73/91/00/489739100.db2.gz GJXFNNNIXIVFPF-JKSUJKDBSA-N 2 0 368.547 0.484 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCCC1 ZINC000418823949 489740322 /nfs/dbraw/zinc/74/03/22/489740322.db2.gz ADAISNGBCJXXCU-HRCADAONSA-N 2 0 350.507 0.871 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[NH+]1CCCC1 ZINC000418825574 489741000 /nfs/dbraw/zinc/74/10/00/489741000.db2.gz ACHUPUANRSHCHD-KRWDZBQOSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418826688 489741614 /nfs/dbraw/zinc/74/16/14/489741614.db2.gz GIDQZKQGWMDHPI-HZSPNIEDSA-N 2 0 352.504 0.910 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000418826668 489741678 /nfs/dbraw/zinc/74/16/78/489741678.db2.gz GHNBUXWDACKUEB-KBPBESRZSA-N 2 0 352.504 0.973 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418828380 489742077 /nfs/dbraw/zinc/74/20/77/489742077.db2.gz HVGJWXGFSLSAOI-OAHLLOKOSA-N 2 0 352.479 0.087 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418827826 489742655 /nfs/dbraw/zinc/74/26/55/489742655.db2.gz HGLBBZACNFELGO-CVEARBPZSA-N 2 0 366.506 0.333 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCCC1 ZINC000418829940 489743693 /nfs/dbraw/zinc/74/36/93/489743693.db2.gz FFIRNCRBUFQGJA-RDJZCZTQSA-N 2 0 374.485 0.769 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000418832064 489744578 /nfs/dbraw/zinc/74/45/78/489744578.db2.gz YRPFQKAJBUKMEN-FXAWDEMLSA-N 2 0 358.486 0.926 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418833279 489745577 /nfs/dbraw/zinc/74/55/77/489745577.db2.gz MYNJVNCFIYJIOQ-AVGNSLFASA-N 2 0 368.503 0.696 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418833280 489745921 /nfs/dbraw/zinc/74/59/21/489745921.db2.gz MYNJVNCFIYJIOQ-RWMBFGLXSA-N 2 0 368.503 0.696 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000418837296 489747588 /nfs/dbraw/zinc/74/75/88/489747588.db2.gz AHZKMYLQQOFTOI-NXHRZFHOSA-N 2 0 358.486 0.820 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[NH+](C)C)c1 ZINC000418839124 489748622 /nfs/dbraw/zinc/74/86/22/489748622.db2.gz DBNLUMGQOIFGOZ-ZQIUZPCESA-N 2 0 362.474 0.623 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000418839639 489749889 /nfs/dbraw/zinc/74/98/89/489749889.db2.gz DGXFGKGZAZNECT-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)CCCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000555850424 491276448 /nfs/dbraw/zinc/27/64/48/491276448.db2.gz PYYPMZFZNVNHIL-INIZCTEOSA-N 2 0 364.471 0.915 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418839729 489750000 /nfs/dbraw/zinc/75/00/00/489750000.db2.gz DMRJSJNWLZZSJH-KZNAEPCWSA-N 2 0 356.470 0.445 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418839904 489750546 /nfs/dbraw/zinc/75/05/46/489750546.db2.gz DTYLQAOJSAVYQW-ROUUACIJSA-N 2 0 374.485 0.434 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000430605067 489750824 /nfs/dbraw/zinc/75/08/24/489750824.db2.gz PNKLRNBDGDUXNT-KRWDZBQOSA-N 2 0 374.485 0.325 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430605418 489751595 /nfs/dbraw/zinc/75/15/95/489751595.db2.gz SSHALXBTIBUUJB-ZDUSSCGKSA-N 2 0 368.503 0.935 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC(=O)N1CC[NH2+]CC1 ZINC000430606430 489752649 /nfs/dbraw/zinc/75/26/49/489752649.db2.gz VPEGBUPOQBCOFX-GOSISDBHSA-N 2 0 358.486 0.934 20 0 FCADRP CC(C)[C@](C)(CN)[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000570964376 491276655 /nfs/dbraw/zinc/27/66/55/491276655.db2.gz QSPDYCWFSAPQAQ-KRWDZBQOSA-N 2 0 370.519 0.346 20 0 FCADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614841 489753400 /nfs/dbraw/zinc/75/34/00/489753400.db2.gz AMALLCAWZMHLGQ-GOSISDBHSA-N 2 0 358.486 0.789 20 0 FCADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618297 489754668 /nfs/dbraw/zinc/75/46/68/489754668.db2.gz SOFXRLAWFRVHLA-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)c2cccs2)CC1 ZINC000418849746 489755645 /nfs/dbraw/zinc/75/56/45/489755645.db2.gz NEJRHURTZVBNHE-OAHLLOKOSA-N 2 0 364.515 0.973 20 0 FCADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624231 489756353 /nfs/dbraw/zinc/75/63/53/489756353.db2.gz OFKXAUBYTYLFKK-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855554 489759290 /nfs/dbraw/zinc/75/92/90/489759290.db2.gz UZRZVHFFOUSKTR-GOEBONIOSA-N 2 0 362.474 0.659 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1)N1CC[NH2+]CC1 ZINC000430639899 489760001 /nfs/dbraw/zinc/76/00/01/489760001.db2.gz GQISOFGAVCGJGY-HNNXBMFYSA-N 2 0 355.442 0.338 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418857099 489760131 /nfs/dbraw/zinc/76/01/31/489760131.db2.gz YCULTNPKVAJECQ-CGTJXYLNSA-N 2 0 360.502 0.780 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418858503 489761320 /nfs/dbraw/zinc/76/13/20/489761320.db2.gz JQVWRZSJIIDZLN-UONOGXRCSA-N 2 0 350.488 0.855 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)[NH+](C)C)c1 ZINC000418861530 489762530 /nfs/dbraw/zinc/76/25/30/489762530.db2.gz NGMPCRSSEMYSIR-KMFMINBZSA-N 2 0 362.474 0.671 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)[NH+](C)C)c1 ZINC000418860758 489762823 /nfs/dbraw/zinc/76/28/23/489762823.db2.gz MFQUZSOWCFFGBV-RYRKJORJSA-N 2 0 374.485 0.482 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C[NH2+]1 ZINC000418862564 489763366 /nfs/dbraw/zinc/76/33/66/489763366.db2.gz ANOWVTSRKRVVQW-VKJFTORMSA-N 2 0 374.485 0.078 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418865386 489764494 /nfs/dbraw/zinc/76/44/94/489764494.db2.gz RRNKXHGOUKPWJE-WMLDXEAASA-N 2 0 362.474 0.530 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000430697741 489766176 /nfs/dbraw/zinc/76/61/76/489766176.db2.gz XUGPZOUOEPNHDS-KRWDZBQOSA-N 2 0 360.458 0.701 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418877304 489770720 /nfs/dbraw/zinc/77/07/20/489770720.db2.gz OLRQJPDYRVPHNZ-NVXWUHKLSA-N 2 0 360.458 0.426 20 0 FCADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878373 489773976 /nfs/dbraw/zinc/77/39/76/489773976.db2.gz NWBVKOQNPRSUAC-YJBOKZPZSA-N 2 0 354.495 0.062 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430880597 489774223 /nfs/dbraw/zinc/77/42/23/489774223.db2.gz USSOAALCAVHPDW-CVEARBPZSA-N 2 0 360.458 0.701 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@@H](C)[NH2+]1 ZINC000418884974 489774449 /nfs/dbraw/zinc/77/44/49/489774449.db2.gz XSWSTYOEVVQIRE-IIDMSEBBSA-N 2 0 374.485 0.078 20 0 FCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430951304 489780619 /nfs/dbraw/zinc/78/06/19/489780619.db2.gz LEFQRGJRWJUXDJ-NWDGAFQWSA-N 2 0 354.476 0.720 20 0 FCADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430958375 489782214 /nfs/dbraw/zinc/78/22/14/489782214.db2.gz SGBNLXAJFAHDSJ-UHFFFAOYSA-N 2 0 354.476 0.594 20 0 FCADRP COCC[C@]1(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000431019918 489785356 /nfs/dbraw/zinc/78/53/56/489785356.db2.gz UJHFZUUHWUBXCL-LJQANCHMSA-N 2 0 361.490 0.466 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418912547 489787678 /nfs/dbraw/zinc/78/76/78/489787678.db2.gz DGWQNBSXLKPRPU-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418913388 489788742 /nfs/dbraw/zinc/78/87/42/489788742.db2.gz DRLPPILUZLNWDH-BZUAXINKSA-N 2 0 354.495 0.093 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)([NH+](C)C)C1 ZINC000418921299 489791904 /nfs/dbraw/zinc/79/19/04/489791904.db2.gz JBTQPLVNSXCDRP-VKJFTORMSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418924842 489793541 /nfs/dbraw/zinc/79/35/41/489793541.db2.gz PNTCEYAOSYSXQK-JKSUJKDBSA-N 2 0 354.495 0.093 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418930722 489793959 /nfs/dbraw/zinc/79/39/59/489793959.db2.gz DUTGRSFSWQIGJL-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000459925086 489796717 /nfs/dbraw/zinc/79/67/17/489796717.db2.gz UBZWUGUIZGXBHO-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000418943287 489798049 /nfs/dbraw/zinc/79/80/49/489798049.db2.gz BIDJXENBGZRUDL-SFHVURJKSA-N 2 0 374.485 0.631 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccco1 ZINC000418941368 489798264 /nfs/dbraw/zinc/79/82/64/489798264.db2.gz KHNJQNYOFGZXEO-SOUVJXGZSA-N 2 0 350.463 0.988 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459931370 489798460 /nfs/dbraw/zinc/79/84/60/489798460.db2.gz IYJOAIQGJAJDMB-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+]1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431285650 489799365 /nfs/dbraw/zinc/79/93/65/489799365.db2.gz UPOJSSCXSDISGR-UHFFFAOYSA-N 2 0 353.511 0.762 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418945037 489799583 /nfs/dbraw/zinc/79/95/83/489799583.db2.gz KXELWVDBBPVJHW-RDJZCZTQSA-N 2 0 362.474 0.199 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000418950198 489801829 /nfs/dbraw/zinc/80/18/29/489801829.db2.gz SRSOMICFPONTBB-UKPHBRMFSA-N 2 0 364.465 0.925 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418950413 489801838 /nfs/dbraw/zinc/80/18/38/489801838.db2.gz HCYONHLFYSYPAM-IXDOHACOSA-N 2 0 368.522 0.360 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000418954178 489803281 /nfs/dbraw/zinc/80/32/81/489803281.db2.gz WCHCMXMXVWZJGG-OXQOHEQNSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418971153 489808477 /nfs/dbraw/zinc/80/84/77/489808477.db2.gz XNEXTMWKLNTXJF-MRXNPFEDSA-N 2 0 360.458 0.337 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000459995466 489812823 /nfs/dbraw/zinc/81/28/23/489812823.db2.gz OIEMYZBUDFXGDC-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418998950 489813448 /nfs/dbraw/zinc/81/34/48/489813448.db2.gz MVONBOVQXSQAGX-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP O=C(C(=O)N1CC[C@H](N2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000460004268 489815030 /nfs/dbraw/zinc/81/50/30/489815030.db2.gz AMJHTSMTKAZODW-SJORKVTESA-N 2 0 364.490 0.006 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000460008854 489816916 /nfs/dbraw/zinc/81/69/16/489816916.db2.gz FPRXVYITGAPVJF-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419012539 489818100 /nfs/dbraw/zinc/81/81/00/489818100.db2.gz WSMYAGNBCFNWBF-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067458 491283706 /nfs/dbraw/zinc/28/37/06/491283706.db2.gz UBAJBRALYUBXDA-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419017551 489819674 /nfs/dbraw/zinc/81/96/74/489819674.db2.gz BBMYDKFNDRZDGM-LVQVYYBASA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419021351 489821021 /nfs/dbraw/zinc/82/10/21/489821021.db2.gz GXXSTLIRLUWJHH-XUWVNRHRSA-N 2 0 354.495 0.045 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419025149 489822864 /nfs/dbraw/zinc/82/28/64/489822864.db2.gz LZFVBXPUFCKYDY-GJZGRUSLSA-N 2 0 350.507 0.895 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419027286 489823750 /nfs/dbraw/zinc/82/37/50/489823750.db2.gz OIUMDPDXZDWRKQ-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419033145 489826346 /nfs/dbraw/zinc/82/63/46/489826346.db2.gz XVKFWNPKRQMXCQ-BZUAXINKSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419047001 489832989 /nfs/dbraw/zinc/83/29/89/489832989.db2.gz RALJBVAKGKNMGN-QAPCUYQASA-N 2 0 356.470 0.974 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C1 ZINC000419046083 489833444 /nfs/dbraw/zinc/83/34/44/489833444.db2.gz XLTUFHNTSSWAFX-CVEARBPZSA-N 2 0 370.538 0.683 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419047056 489834252 /nfs/dbraw/zinc/83/42/52/489834252.db2.gz RGJOVGBORCCDSX-HRCADAONSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419047676 489834331 /nfs/dbraw/zinc/83/43/31/489834331.db2.gz YOFPOGRUNHHUKN-CVEARBPZSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000419083037 489848885 /nfs/dbraw/zinc/84/88/85/489848885.db2.gz JUMVYCNULFXLKQ-NMWPEEMBSA-N 2 0 354.495 0.199 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000564002763 491283012 /nfs/dbraw/zinc/28/30/12/491283012.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419103906 489856104 /nfs/dbraw/zinc/85/61/04/489856104.db2.gz GPMHVDNAAFZHMG-ZWNOBZJWSA-N 2 0 360.380 0.888 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419103900 489856139 /nfs/dbraw/zinc/85/61/39/489856139.db2.gz GPMHVDNAAFZHMG-GWCFXTLKSA-N 2 0 360.380 0.888 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419110362 489858490 /nfs/dbraw/zinc/85/84/90/489858490.db2.gz NUFWADQZFMOTLN-QWHCGFSZSA-N 2 0 350.438 0.712 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCCCC1 ZINC000419122262 489866465 /nfs/dbraw/zinc/86/64/65/489866465.db2.gz FIUBETCURIFFNX-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP Cc1noc([C@H](C)N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433136749 489868236 /nfs/dbraw/zinc/86/82/36/489868236.db2.gz MMVYUBJQBNSBSM-AWEZNQCLSA-N 2 0 364.494 0.787 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419982270 489871900 /nfs/dbraw/zinc/87/19/00/489871900.db2.gz BCKZWMBXOVWDJJ-PMPSAXMXSA-N 2 0 368.522 0.578 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625872 489876597 /nfs/dbraw/zinc/87/65/97/489876597.db2.gz IYGWFDMTGQYPCQ-CQSZACIVSA-N 2 0 367.498 0.693 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419999763 489877327 /nfs/dbraw/zinc/87/73/27/489877327.db2.gz SLNSXGBHVLAJEE-WBVHZDCISA-N 2 0 361.490 0.748 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C(C)C ZINC000420012521 489880306 /nfs/dbraw/zinc/88/03/06/489880306.db2.gz AYHKAXFODFJFMP-CABCVRRESA-N 2 0 356.511 0.793 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000377313878 489883183 /nfs/dbraw/zinc/88/31/83/489883183.db2.gz AATXGABELNXJKD-AEFFLSMTSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC000433451434 489885425 /nfs/dbraw/zinc/88/54/25/489885425.db2.gz BVZZMEZZQHJCPL-ZWKOTPCHSA-N 2 0 368.522 0.851 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C[NH+]1CCCCC1 ZINC000420031899 489886926 /nfs/dbraw/zinc/88/69/26/489886926.db2.gz HMEXOXLTOMLNDU-KFWWJZLASA-N 2 0 354.495 0.454 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420035332 489888319 /nfs/dbraw/zinc/88/83/19/489888319.db2.gz JZONAYJMSQKREO-LSDHHAIUSA-N 2 0 356.511 0.796 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420039851 489890016 /nfs/dbraw/zinc/89/00/16/489890016.db2.gz OGZFDBIHTZOHAD-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1c(C)nn(C)c1-n1ccnc1C ZINC000476459186 489890979 /nfs/dbraw/zinc/89/09/79/489890979.db2.gz LMGVHHVKSOGCOL-ZDUSSCGKSA-N 2 0 371.401 0.460 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420051014 489895239 /nfs/dbraw/zinc/89/52/39/489895239.db2.gz ZQLYRCURYDNLJA-JYJNAYRXSA-N 2 0 366.506 0.693 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000420064952 489899936 /nfs/dbraw/zinc/89/99/36/489899936.db2.gz PFOQPPDUQXILHB-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420067757 489901278 /nfs/dbraw/zinc/90/12/78/489901278.db2.gz SETDEQNIGSOVMX-GVDBMIGSSA-N 2 0 366.506 0.191 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420071044 489903355 /nfs/dbraw/zinc/90/33/55/489903355.db2.gz XHHGZTYDDAOTCB-MRXNPFEDSA-N 2 0 368.428 0.709 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420071043 489903711 /nfs/dbraw/zinc/90/37/11/489903711.db2.gz XHHGZTYDDAOTCB-INIZCTEOSA-N 2 0 368.428 0.709 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420077424 489904524 /nfs/dbraw/zinc/90/45/24/489904524.db2.gz CISPUJVZAAMXLG-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420083728 489906142 /nfs/dbraw/zinc/90/61/42/489906142.db2.gz UMRYCGKTSYTTKD-OAHLLOKOSA-N 2 0 367.538 0.247 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420086287 489907013 /nfs/dbraw/zinc/90/70/13/489907013.db2.gz YWAYXDIXWMVXCS-UHFFFAOYSA-N 2 0 355.527 0.105 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420087666 489907279 /nfs/dbraw/zinc/90/72/79/489907279.db2.gz GJFYWAIFXNSMQT-UHFFFAOYSA-N 2 0 368.428 0.853 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000420093587 489908961 /nfs/dbraw/zinc/90/89/61/489908961.db2.gz PXLSCMVPWOAZBZ-CALCHBBNSA-N 2 0 356.470 0.574 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420092241 489909068 /nfs/dbraw/zinc/90/90/68/489909068.db2.gz VRVXASSICUZTAB-HZPDHXFCSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000420095276 489910366 /nfs/dbraw/zinc/91/03/66/489910366.db2.gz FMHQLQMQHHFDFB-GJZGRUSLSA-N 2 0 374.485 0.522 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420119770 489919110 /nfs/dbraw/zinc/91/91/10/489919110.db2.gz JWBLNUFGQHADMS-MRXNPFEDSA-N 2 0 354.495 0.191 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000420151740 489931917 /nfs/dbraw/zinc/93/19/17/489931917.db2.gz YUKJPQJPFLKESC-RDJZCZTQSA-N 2 0 368.522 0.593 20 0 FCADRP CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@@H]1c1ncc[nH]1 ZINC000477103310 489943168 /nfs/dbraw/zinc/94/31/68/489943168.db2.gz VNRSHIRJCVATKW-LSDHHAIUSA-N 2 0 364.494 0.461 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169703 491290243 /nfs/dbraw/zinc/29/02/43/491290243.db2.gz YAVXQTCOODHJPB-BRWVUGGUSA-N 2 0 363.506 0.608 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420197103 489948179 /nfs/dbraw/zinc/94/81/79/489948179.db2.gz LGEGIWSBHKPXRL-WMLDXEAASA-N 2 0 364.465 0.960 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477201998 489949865 /nfs/dbraw/zinc/94/98/65/489949865.db2.gz GWKJULNEFHJWIM-APWZRJJASA-N 2 0 370.538 0.650 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000420217967 489955626 /nfs/dbraw/zinc/95/56/26/489955626.db2.gz XWSKUQJBQYFXDM-OWCLPIDISA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299652 489961522 /nfs/dbraw/zinc/96/15/22/489961522.db2.gz UEOVNXYDXQIIQU-RYUDHWBXSA-N 2 0 350.385 0.327 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420323919 489962623 /nfs/dbraw/zinc/96/26/23/489962623.db2.gz UPRAWOZVYNLAMS-QYZOEREBSA-N 2 0 361.486 0.488 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420310486 489962713 /nfs/dbraw/zinc/96/27/13/489962713.db2.gz PXWAUIZSIWOEAZ-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867507 489963388 /nfs/dbraw/zinc/96/33/88/489963388.db2.gz FDILKAKBEJKWEW-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324989 489963708 /nfs/dbraw/zinc/96/37/08/489963708.db2.gz HTJRGYGJPSGYBR-ZHALLVOQSA-N 2 0 358.486 0.911 20 0 FCADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349663 489966186 /nfs/dbraw/zinc/96/61/86/489966186.db2.gz PZYCWCCYOMMSSR-MSOLQXFVSA-N 2 0 360.502 0.858 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374768 489969587 /nfs/dbraw/zinc/96/95/87/489969587.db2.gz SJLIKEXXHAEMSI-ZWKOTPCHSA-N 2 0 354.539 0.957 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000420406790 489972832 /nfs/dbraw/zinc/97/28/32/489972832.db2.gz SDXDGKRWMAWAPY-UHFFFAOYSA-N 2 0 350.438 0.260 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619548 489978095 /nfs/dbraw/zinc/97/80/95/489978095.db2.gz YJDUYWSCFRGOPR-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000477678784 489984067 /nfs/dbraw/zinc/98/40/67/489984067.db2.gz NWRHEHJIFFNEMN-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000477675405 489984106 /nfs/dbraw/zinc/98/41/06/489984106.db2.gz GNOISISEFVIVHH-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000477678786 489984254 /nfs/dbraw/zinc/98/42/54/489984254.db2.gz NWRHEHJIFFNEMN-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000477720435 489987407 /nfs/dbraw/zinc/98/74/07/489987407.db2.gz SPDNNFWXNJPACV-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP CC[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)[NH+](C)C ZINC000462747210 489991252 /nfs/dbraw/zinc/99/12/52/489991252.db2.gz CFNDDWRPNGEAEN-OAHLLOKOSA-N 2 0 356.492 0.805 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477874182 489994636 /nfs/dbraw/zinc/99/46/36/489994636.db2.gz FSLGVJKOZZPRIO-QAETUUGQSA-N 2 0 356.511 0.582 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCOCC[NH+](C)C)([NH+](C)C)C1 ZINC000478013390 490000813 /nfs/dbraw/zinc/00/08/13/490000813.db2.gz CVMVLJNTBLZVDV-YJBOKZPZSA-N 2 0 356.511 0.308 20 0 FCADRP CNc1nc(N(C)C[C@H]2CCC[N@@H+]2C)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420643927 490003611 /nfs/dbraw/zinc/00/36/11/490003611.db2.gz XYXOQQBGOBYZJE-GASCZTMLSA-N 2 0 362.526 0.396 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000478067475 490004020 /nfs/dbraw/zinc/00/40/20/490004020.db2.gz ZIZPWHZGXPCQBA-MOPGFXCFSA-N 2 0 358.486 0.394 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000420904861 490030738 /nfs/dbraw/zinc/03/07/38/490030738.db2.gz PXPYTFKDDSAMEI-IRXDYDNUSA-N 2 0 368.522 0.308 20 0 FCADRP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058089 490066052 /nfs/dbraw/zinc/06/60/52/490066052.db2.gz JDKPKBHGUZXPTQ-ZDUSSCGKSA-N 2 0 366.487 0.284 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479201605 490072708 /nfs/dbraw/zinc/07/27/08/490072708.db2.gz ISCWKVCHMTVVPL-IAGOWNOFSA-N 2 0 364.465 0.927 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955943 490073926 /nfs/dbraw/zinc/07/39/26/490073926.db2.gz ZMJDAJBOANARQZ-JKSUJKDBSA-N 2 0 353.511 0.603 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000532672974 490094722 /nfs/dbraw/zinc/09/47/22/490094722.db2.gz BMEMFSPZFHJIBP-RTBURBONSA-N 2 0 366.550 0.898 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000421724450 490098734 /nfs/dbraw/zinc/09/87/34/490098734.db2.gz BSKBLUXVTYCIDJ-WMLDXEAASA-N 2 0 356.536 0.481 20 0 FCADRP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710173 490099938 /nfs/dbraw/zinc/09/99/38/490099938.db2.gz JFZQCSYQTXRNTN-UYTYNIKBSA-N 2 0 364.534 0.974 20 0 FCADRP CC1[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@@H]1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710172 490099993 /nfs/dbraw/zinc/09/99/93/490099993.db2.gz JFZQCSYQTXRNTN-BRSBDYLESA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727328 490101725 /nfs/dbraw/zinc/10/17/25/490101725.db2.gz WMARJORJUTWQJS-RHSMWYFYSA-N 2 0 356.536 0.388 20 0 FCADRP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@@H](C)C1 ZINC000571310014 491299479 /nfs/dbraw/zinc/29/94/79/491299479.db2.gz POJLGHJIWVMGDU-GASCZTMLSA-N 2 0 362.526 0.396 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1C1CC1 ZINC000571324421 491300873 /nfs/dbraw/zinc/30/08/73/491300873.db2.gz XBIWMWIBGLRNKR-HYVNUMGLSA-N 2 0 362.518 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1=O ZINC000422012802 490125461 /nfs/dbraw/zinc/12/54/61/490125461.db2.gz CJCMUQZBIPCLSQ-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000379674819 490126885 /nfs/dbraw/zinc/12/68/85/490126885.db2.gz VKZGNGVWLXJEAD-NVXWUHKLSA-N 2 0 355.504 0.805 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000479829413 490127322 /nfs/dbraw/zinc/12/73/22/490127322.db2.gz OTBDOKQWJDAGQE-YHUYYLMFSA-N 2 0 362.518 0.964 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000571336394 491301627 /nfs/dbraw/zinc/30/16/27/491301627.db2.gz MLBSAKSQEQKZBM-WBVHZDCISA-N 2 0 351.495 0.404 20 0 FCADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000520385188 490140582 /nfs/dbraw/zinc/14/05/82/490140582.db2.gz RMKSHRHZGCHXJR-MRXNPFEDSA-N 2 0 370.563 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852911 490147307 /nfs/dbraw/zinc/14/73/07/490147307.db2.gz XTRXHPDICZKTMQ-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465838558 490147334 /nfs/dbraw/zinc/14/73/34/490147334.db2.gz FBLVUGYQINROFI-UHFFFAOYSA-N 2 0 356.511 0.851 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460152 490151085 /nfs/dbraw/zinc/15/10/85/490151085.db2.gz ZAFGTTFMMUEXCN-RDJZCZTQSA-N 2 0 366.506 0.322 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000556205162 491302908 /nfs/dbraw/zinc/30/29/08/491302908.db2.gz HADBSVNZDLFUIH-WMLDXEAASA-N 2 0 354.520 0.237 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480030206 490152245 /nfs/dbraw/zinc/15/22/45/490152245.db2.gz IFSMYNWZHXWBTH-JKSUJKDBSA-N 2 0 364.494 0.728 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947095 490155963 /nfs/dbraw/zinc/15/59/63/490155963.db2.gz HQQWTCJKDBKBFD-SJORKVTESA-N 2 0 355.527 0.280 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000465964754 490158488 /nfs/dbraw/zinc/15/84/88/490158488.db2.gz ZTUURYFJOIAMDU-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000520619056 490171682 /nfs/dbraw/zinc/17/16/82/490171682.db2.gz HKYMAMHXGZMTJL-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422121158 490174189 /nfs/dbraw/zinc/17/41/89/490174189.db2.gz QVDYEAIKIWYWBC-RDJZCZTQSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242596 491305168 /nfs/dbraw/zinc/30/51/68/491305168.db2.gz RADVWKCVRSNICT-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242597 491305293 /nfs/dbraw/zinc/30/52/93/491305293.db2.gz RADVWKCVRSNICT-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000466502800 490192447 /nfs/dbraw/zinc/19/24/47/490192447.db2.gz ITYJZFQYAVVRTE-IIAWOOMASA-N 2 0 351.495 0.356 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@H]2C1 ZINC000497676571 490193451 /nfs/dbraw/zinc/19/34/51/490193451.db2.gz IIDKKTAWMFBRMN-MSOLQXFVSA-N 2 0 367.538 0.112 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000571418785 491306479 /nfs/dbraw/zinc/30/64/79/491306479.db2.gz NNJZABZOMPKREG-RTBURBONSA-N 2 0 359.518 0.848 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000497778053 490213054 /nfs/dbraw/zinc/21/30/54/490213054.db2.gz XLQUSEBJHPYNNU-MRXNPFEDSA-N 2 0 355.504 0.907 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414637 490218917 /nfs/dbraw/zinc/21/89/17/490218917.db2.gz PSZISRSAHOLJKO-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000497852025 490222395 /nfs/dbraw/zinc/22/23/95/490222395.db2.gz HJOSBUZONNQDCD-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000497920149 490232349 /nfs/dbraw/zinc/23/23/49/490232349.db2.gz ZQDFOVSAUISCHG-IBGZPJMESA-N 2 0 360.506 0.885 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000521473991 490266864 /nfs/dbraw/zinc/26/68/64/490266864.db2.gz GMPXXMZGWNRPLF-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344037 490269999 /nfs/dbraw/zinc/26/99/99/490269999.db2.gz USASOMCAOFDZBE-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000422348747 490271963 /nfs/dbraw/zinc/27/19/63/490271963.db2.gz GDALEPAQOMABEA-SFHVURJKSA-N 2 0 372.513 0.754 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H]1C ZINC000521591433 490278947 /nfs/dbraw/zinc/27/89/47/490278947.db2.gz WMCFDJGNHLLYBW-YZDRTPDPSA-N 2 0 351.495 0.462 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC1CC[NH+](C3CC3)CC1)CC[NH2+]CC2 ZINC000571551693 491315002 /nfs/dbraw/zinc/31/50/02/491315002.db2.gz UGROPQGDMMXZHG-HNNXBMFYSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447919337 490293926 /nfs/dbraw/zinc/29/39/26/490293926.db2.gz DSZMEIXXGSXEAR-JCHJZTRSSA-N 2 0 361.486 0.895 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000483333299 490309265 /nfs/dbraw/zinc/30/92/65/490309265.db2.gz LLCRLLIFHUMBJI-IXDOHACOSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897324 490310087 /nfs/dbraw/zinc/31/00/87/490310087.db2.gz BGJMKTBTVMGNDH-DOTOQJQBSA-N 2 0 361.490 0.476 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467707317 490332127 /nfs/dbraw/zinc/33/21/27/490332127.db2.gz XLLUDJAISJLAGQ-DJSILETISA-N 2 0 351.491 0.807 20 0 FCADRP CC[C@]1(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707771 490332963 /nfs/dbraw/zinc/33/29/63/490332963.db2.gz USFHBEGRLNILPH-IEBWSBKVSA-N 2 0 352.523 0.772 20 0 FCADRP O=C(CCN1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[NH2+]CC1 ZINC000508647666 490344435 /nfs/dbraw/zinc/34/44/35/490344435.db2.gz YWISEOQLSXCPIQ-UHFFFAOYSA-N 2 0 366.428 0.395 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000571642255 491320246 /nfs/dbraw/zinc/32/02/46/491320246.db2.gz KHAOXFBLYLTKOK-UONOGXRCSA-N 2 0 352.454 0.958 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000498934663 490365611 /nfs/dbraw/zinc/36/56/11/490365611.db2.gz BVPXRORVSMLJEW-QGZVFWFLSA-N 2 0 350.507 0.991 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000410710998 490367565 /nfs/dbraw/zinc/36/75/65/490367565.db2.gz YKVNDQHPANXVCG-UHFFFAOYSA-N 2 0 350.463 0.724 20 0 FCADRP CN(CCC(=O)OC(C)(C)C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000468136979 490368170 /nfs/dbraw/zinc/36/81/70/490368170.db2.gz TYDOBSYLSLUCCL-UHFFFAOYSA-N 2 0 357.495 0.877 20 0 FCADRP CO[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000571684339 491323003 /nfs/dbraw/zinc/32/30/03/491323003.db2.gz HREGYJZJUKTXBL-ZBFHGGJFSA-N 2 0 354.495 0.155 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000449120695 490403210 /nfs/dbraw/zinc/40/32/10/490403210.db2.gz DSWVFHBARALEAK-LXPRWKDFSA-N 2 0 352.523 0.901 20 0 FCADRP CCn1nnc(C)c1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449211618 490405641 /nfs/dbraw/zinc/40/56/41/490405641.db2.gz IBEXOXNCCYMKTF-KRWDZBQOSA-N 2 0 358.490 0.985 20 0 FCADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000548032947 490409350 /nfs/dbraw/zinc/40/93/50/490409350.db2.gz LQWMPSNMXRRRNB-QGZVFWFLSA-N 2 0 369.554 0.501 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339896 490409553 /nfs/dbraw/zinc/40/95/53/490409553.db2.gz LNHDOKXVHZPPTM-JXFKEZNVSA-N 2 0 358.486 0.621 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411247308 490413242 /nfs/dbraw/zinc/41/32/42/490413242.db2.gz UKNJGPHZXXGVHK-UHFFFAOYSA-N 2 0 350.463 0.690 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000509354866 490418977 /nfs/dbraw/zinc/41/89/77/490418977.db2.gz AYJGFCUBRVLRJP-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000509407427 490423042 /nfs/dbraw/zinc/42/30/42/490423042.db2.gz JZLVALOYOVDWNO-UHFFFAOYSA-N 2 0 355.527 0.914 20 0 FCADRP CN1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000564787480 491326195 /nfs/dbraw/zinc/32/61/95/491326195.db2.gz YCEOMZCOVGFUGJ-MOPGFXCFSA-N 2 0 374.533 0.259 20 0 FCADRP C[C@@H](Cc1ccsc1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556660088 491326299 /nfs/dbraw/zinc/32/62/99/491326299.db2.gz FCHHQKDAVFLRBO-AWEZNQCLSA-N 2 0 354.520 0.747 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411369461 490440357 /nfs/dbraw/zinc/44/03/57/490440357.db2.gz LSWVFHFAHWROPA-UHFFFAOYSA-N 2 0 350.463 0.426 20 0 FCADRP CS[C@@H]1CN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCCC1 ZINC000484626379 490449896 /nfs/dbraw/zinc/44/98/96/490449896.db2.gz ITMYNYFYULIZIQ-CWQOZTLDSA-N 2 0 357.564 0.968 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000509706601 490453515 /nfs/dbraw/zinc/45/35/15/490453515.db2.gz PMVXUWMZHDBNAC-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000484703484 490457984 /nfs/dbraw/zinc/45/79/84/490457984.db2.gz FMXSQEBYXSJOPE-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000509739910 490459224 /nfs/dbraw/zinc/45/92/24/490459224.db2.gz WTBNCDZUMCDHCY-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP NC(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500034397 490479914 /nfs/dbraw/zinc/47/99/14/490479914.db2.gz XOYPUMFBCTXCFM-MRXNPFEDSA-N 2 0 374.489 0.501 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422857118 490486339 /nfs/dbraw/zinc/48/63/39/490486339.db2.gz GYALCSLUASNJKM-SJORKVTESA-N 3 0 354.539 0.923 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889609 490491288 /nfs/dbraw/zinc/49/12/88/490491288.db2.gz PWVRGZGSXPPRJE-LSDHHAIUSA-N 2 0 354.495 0.237 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980170 490509916 /nfs/dbraw/zinc/50/99/16/490509916.db2.gz OSNHDWJAYBPJAK-DLBZAZTESA-N 3 0 355.523 0.990 20 0 FCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025390 490523019 /nfs/dbraw/zinc/52/30/19/490523019.db2.gz LRBADIKGYDSGRS-UHOSZYNNSA-N 2 0 362.518 0.632 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391186 490527748 /nfs/dbraw/zinc/52/77/48/490527748.db2.gz PSUCPKJRTFSKRT-HOTGVXAUSA-N 2 0 353.511 0.557 20 0 FCADRP CN1CCN([C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889552 491333802 /nfs/dbraw/zinc/33/38/02/491333802.db2.gz BAHSAPCBWWWCJA-CABCVRRESA-N 2 0 352.504 0.531 20 0 FCADRP COc1ccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000564894698 491333813 /nfs/dbraw/zinc/33/38/13/491333813.db2.gz PYXUCWDWBLFVSA-MSOLQXFVSA-N 2 0 374.485 0.817 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000423057363 490532306 /nfs/dbraw/zinc/53/23/06/490532306.db2.gz HFUPYQZMPZHZEH-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423059958 490533003 /nfs/dbraw/zinc/53/30/03/490533003.db2.gz GYKYSUSRKBMXKY-MRXNPFEDSA-N 2 0 368.522 0.247 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000423060463 490533171 /nfs/dbraw/zinc/53/31/71/490533171.db2.gz OLPULEMUITULNQ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063671 490533446 /nfs/dbraw/zinc/53/34/46/490533446.db2.gz XCFAVCCVUXONEE-QRVBRYPASA-N 2 0 370.497 0.787 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000571872476 491334084 /nfs/dbraw/zinc/33/40/84/491334084.db2.gz DZOOJFMIWSGETF-SOLBZPMBSA-N 2 0 358.486 0.915 20 0 FCADRP COC[C@@]1(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCC[NH2+]1 ZINC000571881666 491335025 /nfs/dbraw/zinc/33/50/25/491335025.db2.gz XBUYTWWFPUVXAQ-INIZCTEOSA-N 2 0 373.523 0.108 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000564911355 491335784 /nfs/dbraw/zinc/33/57/84/491335784.db2.gz WSUUZZUGEKTMSN-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000500848351 490558872 /nfs/dbraw/zinc/55/88/72/490558872.db2.gz VDADCLOGPMWCNP-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524794356 490561330 /nfs/dbraw/zinc/56/13/30/490561330.db2.gz PRPOCNTZVODEBR-NRFANRHFSA-N 2 0 374.529 0.767 20 0 FCADRP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH+](CCOC)C2)CC[N@@H+]1CCOC ZINC000501070876 490576656 /nfs/dbraw/zinc/57/66/56/490576656.db2.gz FKMYPRWYUYFLDT-IRXDYDNUSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000571941754 491338938 /nfs/dbraw/zinc/33/89/38/491338938.db2.gz XVZPTKXLVYPBAW-YVSFHVDLSA-N 2 0 365.522 0.698 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccccc2C[NH+](C)C)cn1 ZINC000486430314 490622875 /nfs/dbraw/zinc/62/28/75/490622875.db2.gz AANOTWIOQUKGQR-UHFFFAOYSA-N 2 0 372.473 0.875 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(Cl)c1 ZINC000550076988 490623307 /nfs/dbraw/zinc/62/33/07/490623307.db2.gz WOGQTQVRRNNBQM-UHFFFAOYSA-N 2 0 368.909 0.951 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000550102676 490624824 /nfs/dbraw/zinc/62/48/24/490624824.db2.gz AJFNGDBQKYIVFO-HOTGVXAUSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122044 490627392 /nfs/dbraw/zinc/62/73/92/490627392.db2.gz ONZRCHKSDZJROY-KSSFIOAISA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCC[N@@H+]1C ZINC000501636746 490627644 /nfs/dbraw/zinc/62/76/44/490627644.db2.gz HWZZREILXZNROI-OIISXLGYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1[NH+](C)C ZINC000501632856 490628583 /nfs/dbraw/zinc/62/85/83/490628583.db2.gz BJDKZQFWKXDWBJ-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643392 490629555 /nfs/dbraw/zinc/62/95/55/490629555.db2.gz VWVPXAJFXTWMAS-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001201 491341974 /nfs/dbraw/zinc/34/19/74/491341974.db2.gz BEWWFQKTKXAEDV-OALUTQOASA-N 2 0 359.518 0.385 20 0 FCADRP COC(=O)c1csc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882404 490645505 /nfs/dbraw/zinc/64/55/05/490645505.db2.gz DTRGNSIMMNOUCK-UHFFFAOYSA-N 2 0 370.475 0.425 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)c1 ZINC000564979133 491342384 /nfs/dbraw/zinc/34/23/84/491342384.db2.gz ISLWYBOIFZMWRQ-XEZPLFJOSA-N 2 0 350.463 0.656 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC(C)(C)[NH+](C)C)CC1 ZINC000537084604 490645702 /nfs/dbraw/zinc/64/57/02/490645702.db2.gz PNPPBIUPZXSASX-UHFFFAOYSA-N 2 0 364.494 0.935 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000564979128 491342401 /nfs/dbraw/zinc/34/24/01/491342401.db2.gz ISLWYBOIFZMWRQ-IOASZLSFSA-N 2 0 350.463 0.656 20 0 FCADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000537117741 490648589 /nfs/dbraw/zinc/64/85/89/490648589.db2.gz ZRLIPAWCFDGDJJ-IAGOWNOFSA-N 2 0 361.552 0.322 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCc1cnccn1 ZINC000525916322 490653212 /nfs/dbraw/zinc/65/32/12/490653212.db2.gz QPPSUJGHWNFZEJ-UHFFFAOYSA-N 2 0 369.473 0.926 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000486659261 490657742 /nfs/dbraw/zinc/65/77/42/490657742.db2.gz RZGAYTOLETZYRY-JKSUJKDBSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000550463835 490671642 /nfs/dbraw/zinc/67/16/42/490671642.db2.gz GGLYWSVOZHVZKU-INIZCTEOSA-N 2 0 350.507 0.991 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000526074989 490673159 /nfs/dbraw/zinc/67/31/59/490673159.db2.gz WYFRCYWRFVPWED-QGZVFWFLSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@@H](CS(C)(=O)=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000537487062 490679668 /nfs/dbraw/zinc/67/96/68/490679668.db2.gz HCXFYGHCQDDJGS-HOCLYGCPSA-N 2 0 355.504 0.298 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556997136 491347710 /nfs/dbraw/zinc/34/77/10/491347710.db2.gz XRORHEZBJYSXCX-INIZCTEOSA-N 2 0 374.485 0.596 20 0 FCADRP CCCn1c(N)c(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(=O)[nH]c1=O ZINC000572112792 491349106 /nfs/dbraw/zinc/34/91/06/491349106.db2.gz BJVQOZPLAGZZHF-LBPRGKRZSA-N 2 0 363.462 0.588 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557011345 491349410 /nfs/dbraw/zinc/34/94/10/491349410.db2.gz DNTBKVZFWQQYCG-MRXNPFEDSA-N 2 0 371.485 0.767 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502750543 490719689 /nfs/dbraw/zinc/71/96/89/490719689.db2.gz SKKHGPIJCDONQC-KRWDZBQOSA-N 2 0 365.522 0.809 20 0 FCADRP CNC(=O)COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527375490 490721297 /nfs/dbraw/zinc/72/12/97/490721297.db2.gz ANXAHXQFQLSXFX-UHFFFAOYSA-N 2 0 365.478 0.769 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015089 491349835 /nfs/dbraw/zinc/34/98/35/491349835.db2.gz BFCQJIWTYSNGKR-DLBZAZTESA-N 2 0 367.538 0.070 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487671685 490724334 /nfs/dbraw/zinc/72/43/34/490724334.db2.gz GRQDWROGCIWXCC-DLBZAZTESA-N 2 0 356.511 0.632 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557025790 491350078 /nfs/dbraw/zinc/35/00/78/491350078.db2.gz RLYIJNYWYNODNS-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP CC(=O)N1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000487730386 490727921 /nfs/dbraw/zinc/72/79/21/490727921.db2.gz NTEXSKBAEVJESP-KRWDZBQOSA-N 2 0 359.474 0.578 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCC1=O ZINC000565069760 491350285 /nfs/dbraw/zinc/35/02/85/491350285.db2.gz KSNOGAHNQRWJJG-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000488618717 490767823 /nfs/dbraw/zinc/76/78/23/490767823.db2.gz GQXDFTZXZSJZDF-LPHOPBHVSA-N 2 0 365.522 0.666 20 0 FCADRP C[C@@H]1COCCN1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557116718 491354139 /nfs/dbraw/zinc/35/41/39/491354139.db2.gz BLSFBCVWQZUBMX-QGZVFWFLSA-N 2 0 368.522 0.851 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132687 491355780 /nfs/dbraw/zinc/35/57/80/491355780.db2.gz CZKVXSVYSWLGST-INMHGKMJSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000514861882 490793530 /nfs/dbraw/zinc/79/35/30/490793530.db2.gz VKTQZMFMUOTUKE-ZQIUZPCESA-N 2 0 362.474 0.111 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514925116 490798100 /nfs/dbraw/zinc/79/81/00/490798100.db2.gz JNJDOJNWZZYTBN-QZTJIDSGSA-N 2 0 362.474 0.565 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000515073134 490807499 /nfs/dbraw/zinc/80/74/99/490807499.db2.gz GFEQADRYCZEVBC-OALUTQOASA-N 2 0 357.502 0.950 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000515073954 490807678 /nfs/dbraw/zinc/80/76/78/490807678.db2.gz VQRXNWXRNCRBNA-ZDUSSCGKSA-N 2 0 351.451 0.541 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000515187281 490812487 /nfs/dbraw/zinc/81/24/87/490812487.db2.gz VXVCBSCAVMISSI-SJORKVTESA-N 2 0 373.501 0.121 20 0 FCADRP O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528610403 490813115 /nfs/dbraw/zinc/81/31/15/490813115.db2.gz YUMOCZRQDSVCIG-OALUTQOASA-N 2 0 361.486 0.431 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1-c1ccccc1 ZINC000504924136 490814800 /nfs/dbraw/zinc/81/48/00/490814800.db2.gz NKMWBDDELFQKHN-FQEVSTJZSA-N 2 0 371.485 0.908 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242945 491357821 /nfs/dbraw/zinc/35/78/21/491357821.db2.gz DOHTWDJSCHZMNB-UOVPBQLFSA-N 2 0 358.486 0.961 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)ccn2)CC1 ZINC000529283880 490847538 /nfs/dbraw/zinc/84/75/38/490847538.db2.gz BPXZUHPFMKFBRE-MRXNPFEDSA-N 2 0 358.490 0.917 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529298941 490847997 /nfs/dbraw/zinc/84/79/97/490847997.db2.gz JDCSCOFCXLHIPK-MRXNPFEDSA-N 2 0 358.490 0.917 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529322101 490851673 /nfs/dbraw/zinc/85/16/73/490851673.db2.gz KMALYOKIZNIDPC-ZWKOTPCHSA-N 2 0 362.474 0.565 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207288 490856670 /nfs/dbraw/zinc/85/66/70/490856670.db2.gz MSHUZCGXGSYJKD-IAGOWNOFSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529379920 490858275 /nfs/dbraw/zinc/85/82/75/490858275.db2.gz LRGRSJOOXWKGHT-BBWFWOEESA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000516430661 490863439 /nfs/dbraw/zinc/86/34/39/490863439.db2.gz FJXULZPXSAKPPV-HZPDHXFCSA-N 2 0 353.511 0.476 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000542166137 490887918 /nfs/dbraw/zinc/88/79/18/490887918.db2.gz FEVGXKTXYCYVHE-ZWKOTPCHSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000542196599 490888773 /nfs/dbraw/zinc/88/87/73/490888773.db2.gz MWXYBBBFKOZVLU-NEWSRXKRSA-N 2 0 361.486 0.706 20 0 FCADRP O=C1[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1C1CCCCC1 ZINC000530124314 490889635 /nfs/dbraw/zinc/88/96/35/490889635.db2.gz GFFABFHTNCXIOQ-IBGZPJMESA-N 2 0 366.550 0.900 20 0 FCADRP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000517228230 490899637 /nfs/dbraw/zinc/89/96/37/490899637.db2.gz LSSXQARNKQEQQL-AWEZNQCLSA-N 2 0 350.463 0.423 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000530429429 490905339 /nfs/dbraw/zinc/90/53/39/490905339.db2.gz XHTYCYSXOGSHAV-CYBMUJFWSA-N 2 0 357.524 0.824 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000530429600 490905415 /nfs/dbraw/zinc/90/54/15/490905415.db2.gz JQWVPSCZUGVOAV-HZPDHXFCSA-N 2 0 369.535 0.967 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000517566379 490912539 /nfs/dbraw/zinc/91/25/39/490912539.db2.gz RJCLZINKHKPBHQ-UHFFFAOYSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC000517732412 490918081 /nfs/dbraw/zinc/91/80/81/490918081.db2.gz FPKXCYNUFZSHSD-QGZVFWFLSA-N 2 0 364.490 0.480 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[NH2+]CC3)C2)CC1 ZINC000517731061 490918365 /nfs/dbraw/zinc/91/83/65/490918365.db2.gz HFOKKRANCIVFKC-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000517738690 490918844 /nfs/dbraw/zinc/91/88/44/490918844.db2.gz OSLWDPHYBWLRJR-IRXDYDNUSA-N 2 0 363.506 0.563 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000543125096 490922599 /nfs/dbraw/zinc/92/25/99/490922599.db2.gz NWOZFFPASBQRNH-OAHLLOKOSA-N 2 0 350.463 0.607 20 0 FCADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000531122092 490941660 /nfs/dbraw/zinc/94/16/60/490941660.db2.gz VBRIASUSQYUHPK-CQSZACIVSA-N 2 0 367.494 0.191 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000518540312 490944772 /nfs/dbraw/zinc/94/47/72/490944772.db2.gz GQDNUZSASSXGPL-JFIYKMOQSA-N 2 0 366.506 0.141 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000565253993 491365937 /nfs/dbraw/zinc/36/59/37/491365937.db2.gz MBKMUZJWDXPPAK-UHFFFAOYSA-N 2 0 350.463 0.441 20 0 FCADRP C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300881 490951292 /nfs/dbraw/zinc/95/12/92/490951292.db2.gz XGKCPJFAUNTEQM-XLIONFOSSA-N 2 0 361.486 0.708 20 0 FCADRP O=C(N1CC[NH+](C2CCOCC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531335567 490952708 /nfs/dbraw/zinc/95/27/08/490952708.db2.gz HBCWFIRULFDFDE-NRFANRHFSA-N 2 0 373.497 0.947 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000565255619 491366654 /nfs/dbraw/zinc/36/66/54/491366654.db2.gz YILDNURRLWCTRG-HNNXBMFYSA-N 2 0 353.511 0.474 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000519352166 490969589 /nfs/dbraw/zinc/96/95/89/490969589.db2.gz UOKPHDVLQKNZOV-INIZCTEOSA-N 2 0 351.495 0.500 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000544628883 490973743 /nfs/dbraw/zinc/97/37/43/490973743.db2.gz WLDJYTQCDRWJTR-INIZCTEOSA-N 2 0 350.463 0.815 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519643550 490981489 /nfs/dbraw/zinc/98/14/89/490981489.db2.gz SVZGNZYQISZGBI-DOTOQJQBSA-N 2 0 350.507 0.635 20 0 FCADRP Nc1nc(=NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc2[nH][nH]cc1-2 ZINC000544857935 490984365 /nfs/dbraw/zinc/98/43/65/490984365.db2.gz BXFHAJUNTNRFAB-UHFFFAOYSA-N 2 0 353.434 0.328 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1(C)C ZINC000569719467 491185743 /nfs/dbraw/zinc/18/57/43/491185743.db2.gz BPQRCWSCNCKJOR-MDZRGWNJSA-N 2 0 352.523 0.757 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@@H]2C)CC1=O ZINC000565439907 491376639 /nfs/dbraw/zinc/37/66/39/491376639.db2.gz XIJTVIAXRIIDFI-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000557560764 491383088 /nfs/dbraw/zinc/38/30/88/491383088.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 2 0 367.538 0.070 20 0 FCADRP CCNc1nc(NCCN2CC[N@H+](C)C(C)(C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557670652 491390517 /nfs/dbraw/zinc/39/05/17/491390517.db2.gz YBUUTESOZWZYLY-UHFFFAOYSA-N 2 0 364.542 0.796 20 0 FCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1CCN1CCOCC1 ZINC000565651711 491391453 /nfs/dbraw/zinc/39/14/53/491391453.db2.gz PWPZRXYQERYTAK-XLAORIBOSA-N 2 0 350.507 0.430 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]1CCCC1 ZINC000565671910 491392861 /nfs/dbraw/zinc/39/28/61/491392861.db2.gz RAEQQUOIMBSHHK-MRXNPFEDSA-N 2 0 362.474 0.756 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668361784 493339929 /nfs/dbraw/zinc/33/99/29/493339929.db2.gz JRFCWVCAYCGQBS-IBGZPJMESA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845403 491397141 /nfs/dbraw/zinc/39/71/41/491397141.db2.gz QNUPHNFJHIZAIC-ZACQAIPSSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NCC[NH+](C)C ZINC000572898804 491400825 /nfs/dbraw/zinc/40/08/25/491400825.db2.gz KIEGJSQTCYEPSN-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000668360351 493340472 /nfs/dbraw/zinc/34/04/72/493340472.db2.gz ZTVDSAOTZGNHRS-MRXNPFEDSA-N 2 0 366.506 0.347 20 0 FCADRP CN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000565823306 491401364 /nfs/dbraw/zinc/40/13/64/491401364.db2.gz KFAGUVHQGXGHFK-OAHLLOKOSA-N 2 0 355.552 0.632 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000572943899 491403274 /nfs/dbraw/zinc/40/32/74/491403274.db2.gz DUGQPHRBUHBFKI-SFHVURJKSA-N 2 0 373.501 0.628 20 0 FCADRP C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000565859818 491403729 /nfs/dbraw/zinc/40/37/29/491403729.db2.gz IEHGVJVUEPOTLO-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209458 491419629 /nfs/dbraw/zinc/41/96/29/491419629.db2.gz OHVUBKFLHKFVLH-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000558210943 491420174 /nfs/dbraw/zinc/42/01/74/491420174.db2.gz WYLBTMNESTUSBT-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000573250891 491422534 /nfs/dbraw/zinc/42/25/34/491422534.db2.gz JDDPCJJVHLRCMT-ZWKOTPCHSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000573250890 491422578 /nfs/dbraw/zinc/42/25/78/491422578.db2.gz JDDPCJJVHLRCMT-ROUUACIJSA-N 2 0 374.485 0.817 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn(CCCC[NH3+])nn3)CC2)c1 ZINC000566179296 491423420 /nfs/dbraw/zinc/42/34/20/491423420.db2.gz CPNZIFQQBVWZGD-UHFFFAOYSA-N 2 0 359.434 0.383 20 0 FCADRP O=C(CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000573308554 491425441 /nfs/dbraw/zinc/42/54/41/491425441.db2.gz UACFHDCGTKZZEB-KRWDZBQOSA-N 2 0 359.474 0.382 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244166 491429934 /nfs/dbraw/zinc/42/99/34/491429934.db2.gz DBNSWYGNEDVJTQ-FYQPLNBISA-N 3 0 374.529 0.498 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000558458578 491431764 /nfs/dbraw/zinc/43/17/64/491431764.db2.gz SDFKAJMMKRZXRK-GOSISDBHSA-N 2 0 368.566 0.858 20 0 FCADRP CCC[NH+]1CCN(c2ccccc2CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566491671 491447897 /nfs/dbraw/zinc/44/78/97/491447897.db2.gz WBZYRZBAQAJDTQ-RTBURBONSA-N 2 0 371.529 0.962 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496680 491448979 /nfs/dbraw/zinc/44/89/79/491448979.db2.gz SZUAQUZXLWUVCI-QZTJIDSGSA-N 2 0 356.470 0.669 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc1C ZINC000559031338 491452336 /nfs/dbraw/zinc/45/23/36/491452336.db2.gz WVKCVRIPAVPEDM-UHFFFAOYSA-N 2 0 372.491 0.291 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)C[C@H](C)O1 ZINC000566673701 491459342 /nfs/dbraw/zinc/45/93/42/491459342.db2.gz XJRAMZGSWIOTEY-SOLBZPMBSA-N 2 0 364.490 0.478 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000573960057 491465433 /nfs/dbraw/zinc/46/54/33/491465433.db2.gz ZOXCLBIWMQWEAS-BZUAXINKSA-N 2 0 350.507 0.822 20 0 FCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573963562 491465916 /nfs/dbraw/zinc/46/59/16/491465916.db2.gz DCSIAHVPIQPJBO-KURKYZTESA-N 2 0 371.485 0.742 20 0 FCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573963561 491465986 /nfs/dbraw/zinc/46/59/86/491465986.db2.gz DCSIAHVPIQPJBO-KSZLIROESA-N 2 0 371.485 0.742 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000566786449 491466511 /nfs/dbraw/zinc/46/65/11/491466511.db2.gz LDEXUMYLBITSOY-MRXNPFEDSA-N 2 0 353.511 0.618 20 0 FCADRP CN1CCC(CNC(=O)NC[C@H]2C[NH2+]CCN2C)([NH+]2CCCCC2)CC1 ZINC000566845213 491470194 /nfs/dbraw/zinc/47/01/94/491470194.db2.gz AIOPMFZDVYALAN-QGZVFWFLSA-N 2 0 366.554 0.140 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)no1 ZINC000566916157 491475046 /nfs/dbraw/zinc/47/50/46/491475046.db2.gz VLNLDARAXOBIAW-QGZVFWFLSA-N 2 0 358.442 1.320 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000559563999 491481765 /nfs/dbraw/zinc/48/17/65/491481765.db2.gz APQVSDDCYPMMMH-INIZCTEOSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389129 493345601 /nfs/dbraw/zinc/34/56/01/493345601.db2.gz ROWSXJCYYZEXCF-HOTGVXAUSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000559668020 491490582 /nfs/dbraw/zinc/49/05/82/491490582.db2.gz DZSWVBMLOCFATK-MRXNPFEDSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000567201685 491491528 /nfs/dbraw/zinc/49/15/28/491491528.db2.gz HQNQYYNCDZLFCI-PMPSAXMXSA-N 2 0 353.511 0.746 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390207 493346269 /nfs/dbraw/zinc/34/62/69/493346269.db2.gz NRWPPIXIEHOIDV-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N3CCN(C[C@H](C)O)CC3)CC2)CC1 ZINC000574414927 491494796 /nfs/dbraw/zinc/49/47/96/491494796.db2.gz STAVABLQQZOXML-KRWDZBQOSA-N 3 0 366.550 0.708 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)[C@H]2C1 ZINC000574505650 491501372 /nfs/dbraw/zinc/50/13/72/491501372.db2.gz PMFKYBDVAYIJDR-ZBFHGGJFSA-N 2 0 359.474 0.431 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868012 491506719 /nfs/dbraw/zinc/50/67/19/491506719.db2.gz WZKJZBFNHIEXDI-HACGYAERSA-N 2 0 354.520 0.139 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000567455732 491507207 /nfs/dbraw/zinc/50/72/07/491507207.db2.gz LFUVDEWKUPDJEW-ZDUSSCGKSA-N 2 0 358.364 0.512 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559904188 491508992 /nfs/dbraw/zinc/50/89/92/491508992.db2.gz NABANBQRKBIASK-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013075 491514420 /nfs/dbraw/zinc/51/44/20/491514420.db2.gz HXDOEQBEKARVHG-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560024464 491516085 /nfs/dbraw/zinc/51/60/85/491516085.db2.gz LNUIIMQGYITMHB-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000567594400 491516361 /nfs/dbraw/zinc/51/63/61/491516361.db2.gz TURJDYGKHIQXFJ-ZWKOTPCHSA-N 2 0 372.517 0.974 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583032 493348441 /nfs/dbraw/zinc/34/84/41/493348441.db2.gz KMOIVCGKNIUJDM-DLBZAZTESA-N 2 0 366.506 0.035 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567754805 491527426 /nfs/dbraw/zinc/52/74/26/491527426.db2.gz SHKWRLLVQKURMR-ZWKOTPCHSA-N 2 0 360.502 0.861 20 0 FCADRP C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567815064 491531532 /nfs/dbraw/zinc/53/15/32/491531532.db2.gz VFAMNSGTDOGQAX-BZNIZROVSA-N 2 0 356.829 0.663 20 0 FCADRP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCOCC[NH3+])C2)cc1 ZINC000567897458 491539471 /nfs/dbraw/zinc/53/94/71/491539471.db2.gz PBDFZYLBCFANDD-MRXNPFEDSA-N 2 0 355.504 0.961 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(O)(C[NH3+])CC2)CC1 ZINC000567987224 491545103 /nfs/dbraw/zinc/54/51/03/491545103.db2.gz VTJLLYBVEDELRZ-UHFFFAOYSA-N 2 0 374.529 0.815 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567990234 491545686 /nfs/dbraw/zinc/54/56/86/491545686.db2.gz JWUMWVLWPWJPOU-MRXNPFEDSA-N 2 0 352.523 0.663 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000560670141 491551837 /nfs/dbraw/zinc/55/18/37/491551837.db2.gz OMKTXZWWUMFEJX-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+](C)C1 ZINC000568225463 491561146 /nfs/dbraw/zinc/56/11/46/491561146.db2.gz IBNJYCBSYKLQRO-HOTGVXAUSA-N 2 0 369.531 0.767 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568286848 491566907 /nfs/dbraw/zinc/56/69/07/491566907.db2.gz IEOYATNYSKGFDT-MSOLQXFVSA-N 2 0 373.501 0.982 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)nc2)CC1 ZINC000568284325 491566955 /nfs/dbraw/zinc/56/69/55/491566955.db2.gz CBYDUHQMNFEYCP-UHFFFAOYSA-N 2 0 358.450 0.415 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000568373555 491572008 /nfs/dbraw/zinc/57/20/08/491572008.db2.gz FZMVBOXZEJVIJZ-FXUDXRNXSA-N 2 0 350.507 0.809 20 0 FCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000568395056 491574098 /nfs/dbraw/zinc/57/40/98/491574098.db2.gz NBUXFRMZRXMXJU-RYRKJORJSA-N 2 0 367.490 0.759 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3ccccc3n2)C1 ZINC000668422156 493351326 /nfs/dbraw/zinc/35/13/26/493351326.db2.gz RQQDZWSNULVNSQ-HNNXBMFYSA-N 2 0 357.458 0.982 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCO1 ZINC000576027015 491576847 /nfs/dbraw/zinc/57/68/47/491576847.db2.gz IJTPNSXZNVZNRD-JKSUJKDBSA-N 2 0 352.479 0.040 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203898 491582661 /nfs/dbraw/zinc/58/26/61/491582661.db2.gz UQYUGBHSGOXGTC-KRWDZBQOSA-N 2 0 373.501 0.724 20 0 FCADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000568534836 491584369 /nfs/dbraw/zinc/58/43/69/491584369.db2.gz FKGSOHFPCHWHDM-SZMVWBNQSA-N 2 0 358.486 0.976 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000561226977 491585981 /nfs/dbraw/zinc/58/59/81/491585981.db2.gz NHZQJHFFVDQACE-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425254 491590029 /nfs/dbraw/zinc/59/00/29/491590029.db2.gz ONERPFWIXPHBLW-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000561257112 491589995 /nfs/dbraw/zinc/58/99/95/491589995.db2.gz GUSMZYCJBSGUKV-CZUORRHYSA-N 2 0 350.438 0.742 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000561256595 491590120 /nfs/dbraw/zinc/59/01/20/491590120.db2.gz JKNXVWDSFJJQPV-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561285512 491594476 /nfs/dbraw/zinc/59/44/76/491594476.db2.gz XXGSHYOXGWWDPC-RDJZCZTQSA-N 2 0 359.474 0.380 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[C@H](C)C[NH2+]1 ZINC000584524515 491600062 /nfs/dbraw/zinc/60/00/62/491600062.db2.gz JFWGSMXFLJKPBG-ZAWLATJESA-N 2 0 370.497 0.928 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000568745669 491605561 /nfs/dbraw/zinc/60/55/61/491605561.db2.gz YUUNXOXHHRHSOZ-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000568766663 491607888 /nfs/dbraw/zinc/60/78/88/491607888.db2.gz DPJVDDYGEQGLOA-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000568802305 491610828 /nfs/dbraw/zinc/61/08/28/491610828.db2.gz LODBNMMAIKMHIM-HUUCEWRRSA-N 2 0 350.507 0.942 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000561551400 491616405 /nfs/dbraw/zinc/61/64/05/491616405.db2.gz KNXRRACXJKBGQM-MRXNPFEDSA-N 2 0 351.495 0.989 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@H]2C1 ZINC000577421715 491621219 /nfs/dbraw/zinc/62/12/19/491621219.db2.gz JEVWRVUOWZEBKQ-ZBFHGGJFSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553954 491624381 /nfs/dbraw/zinc/62/43/81/491624381.db2.gz LMIJOBSPNWPNKR-AZUAARDMSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569002304 491626632 /nfs/dbraw/zinc/62/66/32/491626632.db2.gz ASJHJHOKMIZYGD-YHUYYLMFSA-N 2 0 368.522 0.576 20 0 FCADRP CC1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000577502072 491626703 /nfs/dbraw/zinc/62/67/03/491626703.db2.gz RWRMRFBGESVHRJ-HNNXBMFYSA-N 2 0 351.495 0.230 20 0 FCADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000569009190 491627070 /nfs/dbraw/zinc/62/70/70/491627070.db2.gz YPNJACJNFIANSB-SFHVURJKSA-N 2 0 372.517 0.979 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000569066163 491631458 /nfs/dbraw/zinc/63/14/58/491631458.db2.gz UDMPCVHVDHKMQB-DTTOXWODSA-N 2 0 358.486 0.915 20 0 FCADRP CO[C@@H](C[NH3+])C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000569217394 491642804 /nfs/dbraw/zinc/64/28/04/491642804.db2.gz FVKBJIBYBJMRHK-HNNXBMFYSA-N 2 0 365.865 0.996 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000577734898 491647138 /nfs/dbraw/zinc/64/71/38/491647138.db2.gz OHGIZSXVEZOCFL-HNNXBMFYSA-N 2 0 364.465 0.648 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000569266349 491647481 /nfs/dbraw/zinc/64/74/81/491647481.db2.gz UYHWOVYLYAIAFS-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000569409083 491659983 /nfs/dbraw/zinc/65/99/83/491659983.db2.gz MVOFAKBJDZVQQL-FVQBIDKESA-N 2 0 350.507 0.822 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576959182 491660599 /nfs/dbraw/zinc/66/05/99/491660599.db2.gz XWVBKCCKCLQDIA-PMPSAXMXSA-N 2 0 351.495 0.594 20 0 FCADRP CCn1ccnc1CN(CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569459023 491663306 /nfs/dbraw/zinc/66/33/06/491663306.db2.gz RFKDAYCSVWVFRK-QGZVFWFLSA-N 2 0 374.533 0.669 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000577935150 491663699 /nfs/dbraw/zinc/66/36/99/491663699.db2.gz MGLGODLWLKMKTG-GOEBONIOSA-N 2 0 360.458 0.858 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C1CC1 ZINC000578152460 491671087 /nfs/dbraw/zinc/67/10/87/491671087.db2.gz WOPZRNCEWUERGN-HUUCEWRRSA-N 2 0 366.506 0.297 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000578227182 491672695 /nfs/dbraw/zinc/67/26/95/491672695.db2.gz HQMJUEKIBZQSAM-UHFFFAOYSA-N 2 0 354.520 0.286 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000578340913 491675133 /nfs/dbraw/zinc/67/51/33/491675133.db2.gz NBQHIVNKHYYAEG-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000578401913 491676606 /nfs/dbraw/zinc/67/66/06/491676606.db2.gz FVBOCHDHQRGMEG-HNNXBMFYSA-N 2 0 356.511 0.260 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000578415401 491676898 /nfs/dbraw/zinc/67/68/98/491676898.db2.gz LKZMGMSIDICJLE-UHFFFAOYSA-N 3 0 365.526 1.107 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000578441901 491677262 /nfs/dbraw/zinc/67/72/62/491677262.db2.gz HNFBUYHIARXORS-OLMMMNRUSA-N 2 0 363.506 0.641 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000578497673 491678300 /nfs/dbraw/zinc/67/83/00/491678300.db2.gz UDRFUPNGAODJLF-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000578645096 491681653 /nfs/dbraw/zinc/68/16/53/491681653.db2.gz XOJVTNHPZIVZHD-LJQANCHMSA-N 2 0 359.518 0.850 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000579225617 491693369 /nfs/dbraw/zinc/69/33/69/491693369.db2.gz WAGOAGZPMVTNHC-RTBURBONSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359986 491696366 /nfs/dbraw/zinc/69/63/66/491696366.db2.gz YYNQVNMJMIPGBH-MSOLQXFVSA-N 2 0 372.517 0.979 20 0 FCADRP COc1cc(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC000579456349 491698121 /nfs/dbraw/zinc/69/81/21/491698121.db2.gz MWOCYWPWBCKQRK-HLLBOEOZSA-N 2 0 368.474 0.626 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000579566868 491700591 /nfs/dbraw/zinc/70/05/91/491700591.db2.gz UEAVJXNVPVKIBI-UHFFFAOYSA-N 2 0 367.538 0.520 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930076 491709389 /nfs/dbraw/zinc/70/93/89/491709389.db2.gz QESNOVPJNGBRCZ-AEFFLSMTSA-N 2 0 358.486 0.930 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000584778666 491713979 /nfs/dbraw/zinc/71/39/79/491713979.db2.gz TWORDEWMESUYNO-HZPDHXFCSA-N 2 0 364.494 0.603 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584836163 491716314 /nfs/dbraw/zinc/71/63/14/491716314.db2.gz BDDFCUIASCTCDB-YJBOKZPZSA-N 2 0 373.501 0.982 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580118246 491718418 /nfs/dbraw/zinc/71/84/18/491718418.db2.gz AFTQYEBZSVPQID-HYVNUMGLSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)Cn2nnnc2-c2ccsc2)CC1 ZINC000580195298 491721079 /nfs/dbraw/zinc/72/10/79/491721079.db2.gz SXCFVIJDBCHSRM-UHFFFAOYSA-N 2 0 363.491 0.544 20 0 FCADRP CN(C)c1nccc(N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)n1 ZINC000580327108 491726206 /nfs/dbraw/zinc/72/62/06/491726206.db2.gz XJCFMWVPWHIPQM-UHFFFAOYSA-N 2 0 372.477 0.263 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000580327485 491726212 /nfs/dbraw/zinc/72/62/12/491726212.db2.gz OCUGMYQRHUOPHO-IAGOWNOFSA-N 2 0 351.447 0.431 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1)CC[NH2+]CC2 ZINC000580422563 491730358 /nfs/dbraw/zinc/73/03/58/491730358.db2.gz SPVYOMYDRMXVSD-FHERZECASA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000580429599 491730909 /nfs/dbraw/zinc/73/09/09/491730909.db2.gz UDBNYJRTBDMVMC-QGZVFWFLSA-N 2 0 372.513 0.878 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580484586 491733309 /nfs/dbraw/zinc/73/33/09/491733309.db2.gz SYQDUYLIHUNFKQ-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587100107 491734803 /nfs/dbraw/zinc/73/48/03/491734803.db2.gz OUUYWZDMRJSAAG-BBWFWOEESA-N 2 0 365.522 0.855 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000580548450 491735551 /nfs/dbraw/zinc/73/55/51/491735551.db2.gz XWXKTJSZFUAHGK-QGZVFWFLSA-N 2 0 362.474 0.154 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580639658 491739686 /nfs/dbraw/zinc/73/96/86/491739686.db2.gz QBLLEWNVCBGDHW-NRFANRHFSA-N 2 0 370.497 0.933 20 0 FCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580646140 491739888 /nfs/dbraw/zinc/73/98/88/491739888.db2.gz CLSXYABRPKLTOL-JLLWLGSASA-N 2 0 366.384 0.591 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000580697277 491741941 /nfs/dbraw/zinc/74/19/41/491741941.db2.gz DYZYRLREZCVFDM-UHFFFAOYSA-N 2 0 368.522 0.853 20 0 FCADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000588294725 491743708 /nfs/dbraw/zinc/74/37/08/491743708.db2.gz IJIMBXDMBCXGRW-MRXNPFEDSA-N 2 0 355.527 0.959 20 0 FCADRP CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]2C1 ZINC000580925980 491751797 /nfs/dbraw/zinc/75/17/97/491751797.db2.gz RIPHLDYCPWDBNG-BZSNNMDCSA-N 2 0 367.538 0.768 20 0 FCADRP CN1CCC2(CC[NH+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)C1=O ZINC000683618423 493360422 /nfs/dbraw/zinc/36/04/22/493360422.db2.gz UDOMZJDABICKQK-CQSZACIVSA-N 2 0 350.463 0.010 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000581203030 491763696 /nfs/dbraw/zinc/76/36/96/491763696.db2.gz ITXPRPMCZCBTPU-GOEBONIOSA-N 2 0 363.437 0.341 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000581259391 491766177 /nfs/dbraw/zinc/76/61/77/491766177.db2.gz ICMGKLLUWDDOLW-SFHVURJKSA-N 2 0 366.550 0.972 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581426873 491772490 /nfs/dbraw/zinc/77/24/90/491772490.db2.gz NMUBYMQCLOVGDP-QGZVFWFLSA-N 2 0 354.458 0.818 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000581469898 491774337 /nfs/dbraw/zinc/77/43/37/491774337.db2.gz ILTDTGAASJUXNN-UHFFFAOYSA-N 2 0 367.475 0.037 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000581502683 491775704 /nfs/dbraw/zinc/77/57/04/491775704.db2.gz AQSYZDXTMYDJSJ-OAHLLOKOSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000581724377 491784243 /nfs/dbraw/zinc/78/42/43/491784243.db2.gz ZMZJJVOYUOWBOA-HNNXBMFYSA-N 2 0 368.547 0.723 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000581942762 491791407 /nfs/dbraw/zinc/79/14/07/491791407.db2.gz SIRWDAGFSFKXQG-DZUCGIPZSA-N 2 0 363.506 0.641 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C2)CC1 ZINC000582116415 491798619 /nfs/dbraw/zinc/79/86/19/491798619.db2.gz HVNYHLZVBPABCT-XDNAFOTISA-N 2 0 362.518 0.763 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000582423369 491811870 /nfs/dbraw/zinc/81/18/70/491811870.db2.gz USLNBOOSPWJHCB-QGZVFWFLSA-N 2 0 360.458 0.450 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000582783726 491826731 /nfs/dbraw/zinc/82/67/31/491826731.db2.gz SLPYMJDTZKGBAH-DOMZBBRYSA-N 2 0 366.437 0.645 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914919 491832317 /nfs/dbraw/zinc/83/23/17/491832317.db2.gz HNJWKQCLUHEDLR-KZNAEPCWSA-N 2 0 371.485 0.604 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932886 491832995 /nfs/dbraw/zinc/83/29/95/491832995.db2.gz WOZXQXLZACXNKB-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000583045811 491836910 /nfs/dbraw/zinc/83/69/10/491836910.db2.gz URRWPBRBRVXAHI-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP Cc1ccc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000583302205 491841915 /nfs/dbraw/zinc/84/19/15/491841915.db2.gz IELBZONLEDMOES-INIZCTEOSA-N 2 0 359.474 0.957 20 0 FCADRP COCC(C)(C)[NH+]1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000583436194 491844827 /nfs/dbraw/zinc/84/48/27/491844827.db2.gz VNMJFQFSDLRGRH-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP CO[C@@H](C[NH3+])C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000584050010 491857288 /nfs/dbraw/zinc/85/72/88/491857288.db2.gz FCOLZFDMTNBIED-SFHVURJKSA-N 2 0 365.474 0.766 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000594871815 491868900 /nfs/dbraw/zinc/86/89/00/491868900.db2.gz GAEORKMDILNVQT-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000611954463 491884851 /nfs/dbraw/zinc/88/48/51/491884851.db2.gz BSBKEDZJOGUVAO-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546877 491932605 /nfs/dbraw/zinc/93/26/05/491932605.db2.gz WUSSXBXNQHRLNQ-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000612591253 491935655 /nfs/dbraw/zinc/93/56/55/491935655.db2.gz INCMNVNNYUNNBY-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612919341 491958582 /nfs/dbraw/zinc/95/85/82/491958582.db2.gz UXJDOBCNPZDJEW-HUUCEWRRSA-N 2 0 361.494 0.460 20 0 FCADRP O=C(NC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916384 491958683 /nfs/dbraw/zinc/95/86/83/491958683.db2.gz PHRJELISBDALCE-LSDHHAIUSA-N 2 0 361.494 0.318 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000595894687 491959897 /nfs/dbraw/zinc/95/98/97/491959897.db2.gz YLMVPKNRUNGTMS-PMPSAXMXSA-N 2 0 353.463 0.369 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612970853 491960241 /nfs/dbraw/zinc/96/02/41/491960241.db2.gz QEZOGGULTNMMCZ-HNNXBMFYSA-N 2 0 351.495 0.324 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000602095132 491961105 /nfs/dbraw/zinc/96/11/05/491961105.db2.gz CXJXFSMRKHCEMP-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000603254746 492021615 /nfs/dbraw/zinc/02/16/15/492021615.db2.gz ANFATXFHOMVKDY-HNNXBMFYSA-N 2 0 370.519 0.305 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000597216210 492022604 /nfs/dbraw/zinc/02/26/04/492022604.db2.gz YCKWBKYTNGSWCA-DLBZAZTESA-N 2 0 365.522 0.855 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000597216213 492022778 /nfs/dbraw/zinc/02/27/78/492022778.db2.gz YCKWBKYTNGSWCA-IRXDYDNUSA-N 2 0 365.522 0.855 20 0 FCADRP CC(C)N1CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000604118255 492050928 /nfs/dbraw/zinc/05/09/28/492050928.db2.gz WVBIZSUWWTXWEN-MRXNPFEDSA-N 2 0 355.527 0.911 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC000614861994 492061201 /nfs/dbraw/zinc/06/12/01/492061201.db2.gz YRSQIOXTRTXYMK-HNNXBMFYSA-N 2 0 372.469 0.625 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604632830 492065250 /nfs/dbraw/zinc/06/52/50/492065250.db2.gz FVOWMRXAJPSEOC-QGZVFWFLSA-N 2 0 353.511 0.176 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000604641318 492065773 /nfs/dbraw/zinc/06/57/73/492065773.db2.gz OVNAHFYYLXAHCC-SQNIBIBYSA-N 2 0 365.522 0.319 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646633 492065929 /nfs/dbraw/zinc/06/59/29/492065929.db2.gz CRQPPDOAWMVGOJ-MSOLQXFVSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H](CNC(=O)c1cc(C(=O)NC[C@H](C)C[NH+](C)C)[nH]n1)C[NH+](C)C ZINC000615178497 492077092 /nfs/dbraw/zinc/07/70/92/492077092.db2.gz VLIQAOVNGMGDDV-STQMWFEESA-N 2 0 352.483 0.265 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)O1)C[NH+](C)C ZINC000615176811 492077113 /nfs/dbraw/zinc/07/71/13/492077113.db2.gz MHRZMRZXNHOMEN-GEEKYZPCSA-N 2 0 356.511 0.162 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000605884700 492105020 /nfs/dbraw/zinc/10/50/20/492105020.db2.gz UAYCHWUWODHFIN-HOCLYGCPSA-N 2 0 351.495 0.642 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000606665753 492126020 /nfs/dbraw/zinc/12/60/20/492126020.db2.gz ODIRAKFDYCPHSE-IRXDYDNUSA-N 2 0 367.538 0.911 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606702600 492127398 /nfs/dbraw/zinc/12/73/98/492127398.db2.gz ARWKOAAWHAZJGL-INIZCTEOSA-N 2 0 367.538 0.912 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000607245698 492142023 /nfs/dbraw/zinc/14/20/23/492142023.db2.gz YTEAFQBCGNRGBN-SJORKVTESA-N 2 0 370.538 0.879 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000617760836 492189686 /nfs/dbraw/zinc/18/96/86/492189686.db2.gz HQKLEMZBOQEWCB-YHUYYLMFSA-N 2 0 356.511 0.447 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000610250140 492238906 /nfs/dbraw/zinc/23/89/06/492238906.db2.gz BKFYHWFHIMRKPQ-IYWMVGAKSA-N 2 0 368.566 0.557 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552651 492303196 /nfs/dbraw/zinc/30/31/96/492303196.db2.gz OPORLZAZMMLITI-QZTJIDSGSA-N 2 0 358.486 0.822 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552652 492303631 /nfs/dbraw/zinc/30/36/31/492303631.db2.gz OPORLZAZMMLITI-ROUUACIJSA-N 2 0 358.486 0.822 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000641825336 492310146 /nfs/dbraw/zinc/31/01/46/492310146.db2.gz SACGZCYJCKHQDO-HZPDHXFCSA-N 2 0 354.495 0.286 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824229 492310458 /nfs/dbraw/zinc/31/04/58/492310458.db2.gz GQHFZZQOVVJVGH-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627471941 492310466 /nfs/dbraw/zinc/31/04/66/492310466.db2.gz BYFVAFQGHCSSJP-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000620475479 492311985 /nfs/dbraw/zinc/31/19/85/492311985.db2.gz PYSYFOQMCQRBMC-QRVBRYPASA-N 2 0 365.518 0.791 20 0 FCADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000627481708 492317014 /nfs/dbraw/zinc/31/70/14/492317014.db2.gz HHSHQQLOQOSTJZ-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000654640103 492328921 /nfs/dbraw/zinc/32/89/21/492328921.db2.gz ZIQRAQFYXLSHBG-ZDUSSCGKSA-N 2 0 353.471 0.291 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]1 ZINC000642080283 492331720 /nfs/dbraw/zinc/33/17/20/492331720.db2.gz GRZGQMDJRMDDAM-ZIAGYGMSSA-N 2 0 352.504 0.923 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647597645 492332001 /nfs/dbraw/zinc/33/20/01/492332001.db2.gz CKBZNSCFODQQRB-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC000634271673 492332190 /nfs/dbraw/zinc/33/21/90/492332190.db2.gz VMSSZEHHGGUENT-HRCADAONSA-N 2 0 351.495 0.418 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195162 492339847 /nfs/dbraw/zinc/33/98/47/492339847.db2.gz BSWLJZKXCISICI-KLHDSHLOSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194120 492340283 /nfs/dbraw/zinc/34/02/83/492340283.db2.gz XRJJUTZKGQNQNN-OVWQWFNUSA-N 2 0 362.518 0.966 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000642222675 492342815 /nfs/dbraw/zinc/34/28/15/492342815.db2.gz SYXPNAHJAOIUJN-OWCLPIDISA-N 2 0 354.495 0.045 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642253634 492345945 /nfs/dbraw/zinc/34/59/45/492345945.db2.gz CHIUPFVOHPITNH-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000642313741 492349877 /nfs/dbraw/zinc/34/98/77/492349877.db2.gz IYQLECVGECKWNE-GFCCVEGCSA-N 2 0 352.866 0.884 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000642332340 492352277 /nfs/dbraw/zinc/35/22/77/492352277.db2.gz GGTMVWGBINBUEH-BPQIPLTHSA-N 2 0 373.501 0.039 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642332328 492352289 /nfs/dbraw/zinc/35/22/89/492352289.db2.gz CDQOLGPZGVBVTB-MVJTYMMSSA-N 2 0 374.485 0.513 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000642330442 492352348 /nfs/dbraw/zinc/35/23/48/492352348.db2.gz JZGYRIFHHVVPQI-UUAJXVIYSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000642450048 492358560 /nfs/dbraw/zinc/35/85/60/492358560.db2.gz KAGKENIRXMRGSH-DOMZBBRYSA-N 2 0 352.866 0.866 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000642481209 492359045 /nfs/dbraw/zinc/35/90/45/492359045.db2.gz LXACUELEDYIGEI-OAHLLOKOSA-N 2 0 362.474 0.283 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000647777168 492360588 /nfs/dbraw/zinc/36/05/88/492360588.db2.gz BVKOCDGTPVPMEQ-MRXNPFEDSA-N 2 0 369.307 0.987 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642537941 492362517 /nfs/dbraw/zinc/36/25/17/492362517.db2.gz JSZMEVQAIAXFPI-UHFFFAOYSA-N 2 0 362.474 0.583 20 0 FCADRP O=C(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000647789697 492362743 /nfs/dbraw/zinc/36/27/43/492362743.db2.gz JPHMIPBHVKYXMB-IXDOHACOSA-N 2 0 358.490 0.493 20 0 FCADRP O=C(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000647789699 492363266 /nfs/dbraw/zinc/36/32/66/492363266.db2.gz JPHMIPBHVKYXMB-YESZJQIVSA-N 2 0 358.490 0.493 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640655 492368166 /nfs/dbraw/zinc/36/81/66/492368166.db2.gz FFKRFDSRNZYNEO-LEUOFYLZSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642680240 492372449 /nfs/dbraw/zinc/37/24/49/492372449.db2.gz KXPGDRSFAINFAE-JQHSSLGASA-N 2 0 374.485 0.342 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000642722788 492380233 /nfs/dbraw/zinc/38/02/33/492380233.db2.gz BZHBVQSZPXNYMI-BBWFWOEESA-N 2 0 368.522 0.434 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000642725938 492380453 /nfs/dbraw/zinc/38/04/53/492380453.db2.gz DVVZOYOSPAWHCM-KRWDZBQOSA-N 2 0 358.486 0.460 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc(F)cc1 ZINC000642731732 492381486 /nfs/dbraw/zinc/38/14/86/492381486.db2.gz XIECXXCMOBFYTB-KBRIMQKVSA-N 2 0 362.449 0.755 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000642731686 492381627 /nfs/dbraw/zinc/38/16/27/492381627.db2.gz JHNQMJRPYLHZIX-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000642733853 492382921 /nfs/dbraw/zinc/38/29/21/492382921.db2.gz VAVQVBDODNHUEB-SZMVWBNQSA-N 2 0 374.485 0.514 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642750498 492384363 /nfs/dbraw/zinc/38/43/63/492384363.db2.gz GXRVZYCIMVWQKQ-HOTGVXAUSA-N 2 0 354.495 0.189 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000642750519 492384783 /nfs/dbraw/zinc/38/47/83/492384783.db2.gz PEWYDFNPHSIRKA-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756641 492387000 /nfs/dbraw/zinc/38/70/00/492387000.db2.gz CXBSUFKPSIPVBX-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977442 492389870 /nfs/dbraw/zinc/38/98/70/492389870.db2.gz BJWBRCJGYCHMTN-MSOLQXFVSA-N 2 0 362.518 0.779 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647978422 492390664 /nfs/dbraw/zinc/39/06/64/492390664.db2.gz ROOOSUHJWLVWQC-OKZBNKHCSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1cc(N2CCC[C@@H](N3CC[NH+](CC4CC[NH2+]CC4)CC3)C2=O)n(C)n1 ZINC000647991258 492391709 /nfs/dbraw/zinc/39/17/09/492391709.db2.gz RLSMTSVDVCYEPK-GOSISDBHSA-N 2 0 374.533 0.841 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000627826194 492393320 /nfs/dbraw/zinc/39/33/20/492393320.db2.gz QVKXNLVHTBZPKE-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000642798907 492395200 /nfs/dbraw/zinc/39/52/00/492395200.db2.gz RUJFFOVZCHZTFV-OQIJWPOYSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000642800054 492395610 /nfs/dbraw/zinc/39/56/10/492395610.db2.gz IPTFGZZXLSNWLD-MSOLQXFVSA-N 2 0 358.486 0.617 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621621135 492397575 /nfs/dbraw/zinc/39/75/75/492397575.db2.gz SSVJNTPIURTYSK-ZDUSSCGKSA-N 2 0 354.476 0.642 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887405 492397668 /nfs/dbraw/zinc/39/76/68/492397668.db2.gz SZJGHUCNVLBFKR-XOYOTBSWSA-N 2 0 374.460 0.822 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000642898763 492398042 /nfs/dbraw/zinc/39/80/42/492398042.db2.gz AWXAIXYNPWMFJO-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902295 492399283 /nfs/dbraw/zinc/39/92/83/492399283.db2.gz OYJYOMUMBGLMNP-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642902039 492399324 /nfs/dbraw/zinc/39/93/24/492399324.db2.gz ITLLSGYAAUBDFL-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000642903039 492400035 /nfs/dbraw/zinc/40/00/35/492400035.db2.gz ACSUDBNGYSLRQN-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921476 492404978 /nfs/dbraw/zinc/40/49/78/492404978.db2.gz VMETVEWVCFQXRU-ROUUACIJSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000642958550 492406646 /nfs/dbraw/zinc/40/66/46/492406646.db2.gz NTZSJXBDDQVLSI-HRCADAONSA-N 2 0 366.506 0.693 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642974864 492409142 /nfs/dbraw/zinc/40/91/42/492409142.db2.gz CPFHLPBQTSOXHZ-MRXNPFEDSA-N 2 0 367.538 0.247 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000642981943 492410392 /nfs/dbraw/zinc/41/03/92/492410392.db2.gz LUXZJVCUFUDIJU-CGZBRXJRSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643014622 492414378 /nfs/dbraw/zinc/41/43/78/492414378.db2.gz LYVIAZQJGFFECB-HRCADAONSA-N 2 0 357.458 0.235 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1cccs1 ZINC000621837273 492420611 /nfs/dbraw/zinc/42/06/11/492420611.db2.gz DBNULDKRIARWEV-PBFPGSCMSA-N 2 0 350.488 0.807 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1NC(=O)CC[NH+](C)C ZINC000621833519 492420652 /nfs/dbraw/zinc/42/06/52/492420652.db2.gz RKKLVEBAVCCPME-ZDUSSCGKSA-N 2 0 363.462 0.677 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621837876 492421659 /nfs/dbraw/zinc/42/16/59/492421659.db2.gz SLMVUBPBQXLZRN-QKLQHJQFSA-N 2 0 356.470 0.717 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000621839504 492422470 /nfs/dbraw/zinc/42/24/70/492422470.db2.gz UHTUNBNNRMMVBM-OXFYSEKESA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843810 492424467 /nfs/dbraw/zinc/42/44/67/492424467.db2.gz LXTSJZMVMWMXCM-OLMMMNRUSA-N 2 0 350.507 0.810 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845682 492426154 /nfs/dbraw/zinc/42/61/54/492426154.db2.gz NQNICEDFZIZREH-IFXJQAMLSA-N 2 0 366.506 0.332 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233539 492433763 /nfs/dbraw/zinc/43/37/63/492433763.db2.gz VZICBUDFCZGAJN-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)o1 ZINC000622026231 492442656 /nfs/dbraw/zinc/44/26/56/492442656.db2.gz HDBFEPSVICHBLK-KXBFYZLASA-N 2 0 362.474 0.818 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028513 492443448 /nfs/dbraw/zinc/44/34/48/492443448.db2.gz RHKKFJUWRCPXHN-DOXZYTNZSA-N 2 0 364.490 0.038 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622031800 492446206 /nfs/dbraw/zinc/44/62/06/492446206.db2.gz UGVFZJBQSXEAAV-KXBFYZLASA-N 2 0 362.474 0.900 20 0 FCADRP CN1CCCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000635457500 492451542 /nfs/dbraw/zinc/45/15/42/492451542.db2.gz FVJRIPFDQXQKQS-SFHVURJKSA-N 2 0 373.501 0.968 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000655556563 492456278 /nfs/dbraw/zinc/45/62/78/492456278.db2.gz UFEZBVYMBDRHHT-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000628103781 492464084 /nfs/dbraw/zinc/46/40/84/492464084.db2.gz SPJIIOBPGXBIQD-SFHVURJKSA-N 2 0 374.485 0.446 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635557930 492472855 /nfs/dbraw/zinc/47/28/55/492472855.db2.gz DOBXGSOTQJFRCD-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643480983 492476791 /nfs/dbraw/zinc/47/67/91/492476791.db2.gz MGKHJPOUPIZAEB-OALUTQOASA-N 2 0 370.497 0.931 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000643486955 492478849 /nfs/dbraw/zinc/47/88/49/492478849.db2.gz LTCRRNOWBQECLX-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000643486912 492479023 /nfs/dbraw/zinc/47/90/23/492479023.db2.gz CZNZLIKKBXYDEU-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]1 ZINC000643487007 492479193 /nfs/dbraw/zinc/47/91/93/492479193.db2.gz SZDMNBRUCHTUFF-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643489790 492479707 /nfs/dbraw/zinc/47/97/07/492479707.db2.gz PZBGORSOLYJHJZ-BBWFWOEESA-N 2 0 350.507 0.635 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000643494319 492481635 /nfs/dbraw/zinc/48/16/35/492481635.db2.gz QIUUZQVHILCFEG-ZBFHGGJFSA-N 2 0 366.462 0.053 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000643494668 492481861 /nfs/dbraw/zinc/48/18/61/492481861.db2.gz WZGNVIBVHOFLTQ-CABCVRRESA-N 2 0 354.495 0.141 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000643500566 492482261 /nfs/dbraw/zinc/48/22/61/492482261.db2.gz CDVDLVBYGGHLJP-HRCADAONSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499504 492482884 /nfs/dbraw/zinc/48/28/84/492482884.db2.gz NOJCGXKMAHFSSO-XWTMOSNGSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000643503476 492483537 /nfs/dbraw/zinc/48/35/37/492483537.db2.gz DKHLBUWGRXATCV-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000643503012 492483963 /nfs/dbraw/zinc/48/39/63/492483963.db2.gz YMEZVBDBDBDFFE-OAGGEKHMSA-N 2 0 354.495 0.141 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000643509641 492484687 /nfs/dbraw/zinc/48/46/87/492484687.db2.gz BOENNIBIGPKZRJ-IRXDYDNUSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643531719 492490593 /nfs/dbraw/zinc/49/05/93/492490593.db2.gz ARWBCGPVYHTOTA-KBAYOESNSA-N 2 0 358.486 0.915 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655936621 492491755 /nfs/dbraw/zinc/49/17/55/492491755.db2.gz IMXDBPXQOCAGTR-NSHDSACASA-N 2 0 361.368 0.705 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643531923 492492135 /nfs/dbraw/zinc/49/21/35/492492135.db2.gz WYUWGYRYSXGOBH-GUDVDZBRSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000643541528 492495027 /nfs/dbraw/zinc/49/50/27/492495027.db2.gz RPUYGGLQLSCEAW-NRSFXHEJSA-N 2 0 356.470 0.382 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000643541529 492495580 /nfs/dbraw/zinc/49/55/80/492495580.db2.gz RPUYGGLQLSCEAW-OWLYRPNTSA-N 2 0 356.470 0.382 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549860 492497532 /nfs/dbraw/zinc/49/75/32/492497532.db2.gz WRWRUWNUNHJHQV-ONIAQPFYSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000643553784 492498777 /nfs/dbraw/zinc/49/87/77/492498777.db2.gz PIRAWQAXULAFIC-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000655973383 492499670 /nfs/dbraw/zinc/49/96/70/492499670.db2.gz FQZALKKMVMRDGA-BRWVUGGUSA-N 2 0 363.506 0.609 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643590317 492501418 /nfs/dbraw/zinc/50/14/18/492501418.db2.gz OHWVFFNSHNVNBH-DOTOQJQBSA-N 2 0 362.474 0.770 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000643619003 492506482 /nfs/dbraw/zinc/50/64/82/492506482.db2.gz JAYMLRMBUCWIRQ-INIZCTEOSA-N 2 0 366.506 0.478 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656028579 492521239 /nfs/dbraw/zinc/52/12/39/492521239.db2.gz MPFQHMLVHYXOFO-SJORKVTESA-N 2 0 366.506 0.476 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656081976 492542038 /nfs/dbraw/zinc/54/20/38/492542038.db2.gz BDFJBUQNIBZLSA-NQNKBUKLSA-N 2 0 366.506 0.153 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000649350180 492543583 /nfs/dbraw/zinc/54/35/83/492543583.db2.gz MPVAEYWXWKIZEB-AWEZNQCLSA-N 2 0 353.417 0.694 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC000649350638 492543620 /nfs/dbraw/zinc/54/36/20/492543620.db2.gz UTRICFYAXYOOMS-OLMNPRSZSA-N 2 0 362.522 0.174 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC000649350124 492544760 /nfs/dbraw/zinc/54/47/60/492544760.db2.gz GEKSEQZQGHVFEP-AWEZNQCLSA-N 2 0 353.417 0.694 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354741 492547466 /nfs/dbraw/zinc/54/74/66/492547466.db2.gz IOUZZWZIPNHPFN-DOTOQJQBSA-N 2 0 371.485 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000649365658 492548246 /nfs/dbraw/zinc/54/82/46/492548246.db2.gz IIZWZKYILXKMLE-WCXIOVBPSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000649366313 492548493 /nfs/dbraw/zinc/54/84/93/492548493.db2.gz UVFRKRGXCDVZPW-ROUUACIJSA-N 2 0 357.458 0.296 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000636155871 492557388 /nfs/dbraw/zinc/55/73/88/492557388.db2.gz CWVRIKNRSFCIFU-ZWKOTPCHSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656150500 492557585 /nfs/dbraw/zinc/55/75/85/492557585.db2.gz VYATUOBEXIBVCH-BZUAXINKSA-N 2 0 351.495 0.765 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCSC1 ZINC000656299372 492576982 /nfs/dbraw/zinc/57/69/82/492576982.db2.gz RGVHJKHMBUNZJP-VKJFTORMSA-N 2 0 368.547 0.673 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656300834 492577450 /nfs/dbraw/zinc/57/74/50/492577450.db2.gz DLUIRNBYJKAETE-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636487747 492599132 /nfs/dbraw/zinc/59/91/32/492599132.db2.gz XOTWCXBFDPAWGD-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP [NH3+]C1(c2noc(Cn3cc(CN4CC[NH2+]CC4)nn3)n2)CCCCCC1 ZINC000656440628 492622134 /nfs/dbraw/zinc/62/21/34/492622134.db2.gz WQTYLDHXKZDSEK-UHFFFAOYSA-N 2 0 360.466 0.623 20 0 FCADRP NC(=O)C1CC[NH+](Cc2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629579484 492656729 /nfs/dbraw/zinc/65/67/29/492656729.db2.gz DJYQYDLIFBHMGF-HXUWFJFHSA-N 2 0 374.529 0.930 20 0 FCADRP COCCCS(=O)(=O)NCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590788 492657621 /nfs/dbraw/zinc/65/76/21/492657621.db2.gz OMUYSKQZQWRYKN-MRXNPFEDSA-N 2 0 363.524 0.033 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1COCC[C@H]1O ZINC000636679748 492658588 /nfs/dbraw/zinc/65/85/88/492658588.db2.gz CBIHYJNHAJSTPH-IAGOWNOFSA-N 2 0 363.462 0.043 20 0 FCADRP C[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000650679498 492661047 /nfs/dbraw/zinc/66/10/47/492661047.db2.gz QUFUJFQIJGBSMQ-HNAYVOBHSA-N 2 0 358.486 0.894 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644193995 492665232 /nfs/dbraw/zinc/66/52/32/492665232.db2.gz JMIVDGRKWKBRLU-UHFFFAOYSA-N 2 0 361.490 0.534 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000629789008 492672627 /nfs/dbraw/zinc/67/26/27/492672627.db2.gz WNNGGYWAQSNXEX-UHFFFAOYSA-N 2 0 354.495 0.145 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629802772 492680028 /nfs/dbraw/zinc/68/00/28/492680028.db2.gz PTGXWFZTNUQZAW-DGCLKSJQSA-N 2 0 364.412 0.525 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000629811456 492684443 /nfs/dbraw/zinc/68/44/43/492684443.db2.gz FOXQSFLMRIQWLV-SJORKVTESA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000629816011 492687201 /nfs/dbraw/zinc/68/72/01/492687201.db2.gz STHQUJBRHDMIST-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000636795563 492695976 /nfs/dbraw/zinc/69/59/76/492695976.db2.gz MMZJDVJBOARRHR-YESZJQIVSA-N 2 0 356.511 0.489 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636795557 492696575 /nfs/dbraw/zinc/69/65/75/492696575.db2.gz MMZJDVJBOARRHR-BBWFWOEESA-N 2 0 356.511 0.489 20 0 FCADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629959001 492708434 /nfs/dbraw/zinc/70/84/34/492708434.db2.gz ZGQCQFDUNUITQI-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)nn1 ZINC000630705687 492767090 /nfs/dbraw/zinc/76/70/90/492767090.db2.gz GMCOAWNPLYPEBI-QIIPPGSGSA-N 2 0 370.457 0.144 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000630837985 492778269 /nfs/dbraw/zinc/77/82/69/492778269.db2.gz UCLADOFJLHXLNJ-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637372379 492813052 /nfs/dbraw/zinc/81/30/52/492813052.db2.gz CQEKQUOFJHEYIZ-INIZCTEOSA-N 2 0 353.511 0.844 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000637377093 492815896 /nfs/dbraw/zinc/81/58/96/492815896.db2.gz VTOXNLLXLLBBMP-HNNXBMFYSA-N 2 0 353.511 0.842 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377067 492816188 /nfs/dbraw/zinc/81/61/88/492816188.db2.gz VBHITJVESZQJMI-JYJNAYRXSA-N 2 0 353.511 0.840 20 0 FCADRP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990000 492836330 /nfs/dbraw/zinc/83/63/30/492836330.db2.gz PRSGJESJHDZSGU-LWYYNNOASA-N 2 0 356.514 0.998 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000631911138 492877051 /nfs/dbraw/zinc/87/70/51/492877051.db2.gz WSIRPGSPPPVJKY-MSOLQXFVSA-N 2 0 363.506 0.942 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+](C)C ZINC000658429150 492887026 /nfs/dbraw/zinc/88/70/26/492887026.db2.gz VVHLRUGTBHDEIM-ZDUSSCGKSA-N 2 0 350.467 0.545 20 0 FCADRP CCCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000645305420 492890732 /nfs/dbraw/zinc/89/07/32/492890732.db2.gz RMDIQUGTMFBNCW-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940007 492893310 /nfs/dbraw/zinc/89/33/10/492893310.db2.gz NEYMGCOYUKBSJJ-ZWKOTPCHSA-N 2 0 372.579 0.665 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)C2)C1 ZINC000652195563 492894772 /nfs/dbraw/zinc/89/47/72/492894772.db2.gz YFEAGLCUPALTOP-BRWVUGGUSA-N 2 0 354.495 0.637 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000638080392 492901584 /nfs/dbraw/zinc/90/15/84/492901584.db2.gz VCQUJJKKFKTOOG-LJQANCHMSA-N 2 0 362.518 0.955 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000632018855 492911197 /nfs/dbraw/zinc/91/11/97/492911197.db2.gz KMCKJZDZNNERDK-IRXDYDNUSA-N 2 0 360.568 0.758 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348461 492913085 /nfs/dbraw/zinc/91/30/85/492913085.db2.gz FGWABOUVCDHGQU-FJIDUMEYSA-N 2 0 352.523 0.757 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348665 492913445 /nfs/dbraw/zinc/91/34/45/492913445.db2.gz MLLMFUFCMXTQDT-BQFCYCMXSA-N 3 0 352.523 0.805 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652362740 492916555 /nfs/dbraw/zinc/91/65/55/492916555.db2.gz NUIWHKVMSVQKOU-BRSBDYLESA-N 2 0 366.506 0.474 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632113168 492932856 /nfs/dbraw/zinc/93/28/56/492932856.db2.gz SKPMJTKDVSSYRK-MRXNPFEDSA-N 2 0 372.535 0.041 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C2CCC2)CC1 ZINC000658534800 492934675 /nfs/dbraw/zinc/93/46/75/492934675.db2.gz CYWPXRPIDCNPPZ-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632125674 492935451 /nfs/dbraw/zinc/93/54/51/492935451.db2.gz SRMYWOJQTKNAJK-UHFFFAOYSA-N 2 0 360.568 0.758 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349560 492939060 /nfs/dbraw/zinc/93/90/60/492939060.db2.gz QCSMXDMBRSLNPR-HZPDHXFCSA-N 2 0 365.522 0.711 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000652463674 492939539 /nfs/dbraw/zinc/93/95/39/492939539.db2.gz PPPLWIGDOKVCIT-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439459 492947662 /nfs/dbraw/zinc/94/76/62/492947662.db2.gz IDUAOJHSWQMBPF-HZPDHXFCSA-N 2 0 360.506 0.867 20 0 FCADRP C[NH+](C)CC1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCC1 ZINC000632212495 492951107 /nfs/dbraw/zinc/95/11/07/492951107.db2.gz UAUFPOFYLFVTJX-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP COCC1(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000638526166 492958831 /nfs/dbraw/zinc/95/88/31/492958831.db2.gz GDXXLCOWZJEVOR-UHFFFAOYSA-N 2 0 362.474 0.933 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000638562848 492961097 /nfs/dbraw/zinc/96/10/97/492961097.db2.gz ZYJZIXSQTXTZRO-FRRDWIJNSA-N 2 0 364.412 0.382 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cn1 ZINC000652611752 492971426 /nfs/dbraw/zinc/97/14/26/492971426.db2.gz VZYOEUQERNYWOT-UHFFFAOYSA-N 2 0 359.438 0.288 20 0 FCADRP COc1ccncc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652627094 492972486 /nfs/dbraw/zinc/97/24/86/492972486.db2.gz RDSHNBQEKJZNCW-WOSRLPQWSA-N 2 0 362.430 0.774 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)C1=O ZINC000638856736 492982396 /nfs/dbraw/zinc/98/23/96/492982396.db2.gz SRLKOZXCVOAQTO-QZTJIDSGSA-N 2 0 356.470 0.512 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)C1=O ZINC000638855988 492982402 /nfs/dbraw/zinc/98/24/02/492982402.db2.gz KCLKDVKQURBICS-IAGOWNOFSA-N 2 0 362.449 0.679 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949240 492988943 /nfs/dbraw/zinc/98/89/43/492988943.db2.gz ZJUZUDVAKHYKFZ-LUKYLMHMSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000638976839 492989717 /nfs/dbraw/zinc/98/97/17/492989717.db2.gz DREYMXDYLPNIAJ-OAHLLOKOSA-N 2 0 358.450 0.918 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[N@H+](C)C1CC1 ZINC000652686262 492990811 /nfs/dbraw/zinc/99/08/11/492990811.db2.gz CNNULBDTUBYOBB-DLTWYDFYSA-N 2 0 366.506 0.330 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C[C@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941110 492990784 /nfs/dbraw/zinc/99/07/84/492990784.db2.gz KDKALHVNPFKVIJ-RTBURBONSA-N 2 0 360.502 0.421 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000652708631 492996625 /nfs/dbraw/zinc/99/66/25/492996625.db2.gz YMRTXWMINPFTGL-INIZCTEOSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639173372 493000784 /nfs/dbraw/zinc/00/07/84/493000784.db2.gz XYSXAUDKZSQPGY-UHFFFAOYSA-N 2 0 362.927 0.913 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652723454 493003469 /nfs/dbraw/zinc/00/34/69/493003469.db2.gz ASYKGJCQLAYOCB-QGZVFWFLSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724092 493004065 /nfs/dbraw/zinc/00/40/65/493004065.db2.gz VDMDOLWSGOKSOV-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP CNS(=O)(=O)[C@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639545124 493019045 /nfs/dbraw/zinc/01/90/45/493019045.db2.gz REIIZAOUEMCRGR-DLBZAZTESA-N 2 0 353.488 0.247 20 0 FCADRP O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616672 493023147 /nfs/dbraw/zinc/02/31/47/493023147.db2.gz CJOAXUZSQKHQJM-RBUKOAKNSA-N 2 0 358.442 0.297 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000626848785 493035520 /nfs/dbraw/zinc/03/55/20/493035520.db2.gz VSXUAQIMUXRASG-DOMZBBRYSA-N 2 0 361.446 0.101 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000626878832 493045153 /nfs/dbraw/zinc/04/51/53/493045153.db2.gz BATBJJJJBWACEJ-SFHVURJKSA-N 2 0 374.485 0.758 20 0 FCADRP COc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1OC ZINC000626920552 493063470 /nfs/dbraw/zinc/06/34/70/493063470.db2.gz DROFBERNEHRWDW-LSDHHAIUSA-N 2 0 366.462 0.594 20 0 FCADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1OC ZINC000626920549 493063739 /nfs/dbraw/zinc/06/37/39/493063739.db2.gz DROFBERNEHRWDW-CABCVRRESA-N 2 0 366.462 0.594 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000626967778 493071354 /nfs/dbraw/zinc/07/13/54/493071354.db2.gz IOGXRXXAOHUCPY-MSOLQXFVSA-N 2 0 361.490 0.263 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)CCCC2)CC1 ZINC000653118436 493073460 /nfs/dbraw/zinc/07/34/60/493073460.db2.gz LXVZAPBEKGLZCX-KXBFYZLASA-N 2 0 351.491 0.762 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124982 493075818 /nfs/dbraw/zinc/07/58/18/493075818.db2.gz ONNCQOARSGBCSM-ROUUACIJSA-N 2 0 352.523 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194663 493082740 /nfs/dbraw/zinc/08/27/40/493082740.db2.gz SAYFUSSZMFOUEO-YLAKUSLOSA-N 2 0 362.518 0.907 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000627064810 493085843 /nfs/dbraw/zinc/08/58/43/493085843.db2.gz XDJVTSVRCCSMQT-OLZOCXBDSA-N 2 0 351.417 0.450 20 0 FCADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000646802119 493099472 /nfs/dbraw/zinc/09/94/72/493099472.db2.gz ICVHQDMVCJQQTL-HNNXBMFYSA-N 2 0 370.461 0.460 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658944519 493114539 /nfs/dbraw/zinc/11/45/39/493114539.db2.gz GNTUMQXMGLERRW-INIZCTEOSA-N 2 0 373.501 0.919 20 0 FCADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627234658 493114612 /nfs/dbraw/zinc/11/46/12/493114612.db2.gz KCXPUCRKZCNETN-WBVHZDCISA-N 2 0 355.446 0.580 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633097811 493124041 /nfs/dbraw/zinc/12/40/41/493124041.db2.gz TVJYVKIUPJFLCL-KSZLIROESA-N 2 0 356.470 0.682 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640747846 493127430 /nfs/dbraw/zinc/12/74/30/493127430.db2.gz IXCFXJJXEKZZCH-UHFFFAOYSA-N 2 0 363.509 0.353 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)C1 ZINC000659038111 493128706 /nfs/dbraw/zinc/12/87/06/493128706.db2.gz KBYWMBVQIHVHJK-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000640836745 493134604 /nfs/dbraw/zinc/13/46/04/493134604.db2.gz IGBARVFFWDIURE-SFHVURJKSA-N 2 0 371.489 0.102 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291945 493136697 /nfs/dbraw/zinc/13/66/97/493136697.db2.gz ISFGKGDGSGFBLN-ZWKOTPCHSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627311811 493145790 /nfs/dbraw/zinc/14/57/90/493145790.db2.gz IDRZWWWHFHTOLO-HUUCEWRRSA-N 2 0 356.511 0.293 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627311810 493145800 /nfs/dbraw/zinc/14/58/00/493145800.db2.gz IDRZWWWHFHTOLO-GJZGRUSLSA-N 2 0 356.511 0.293 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627325932 493154778 /nfs/dbraw/zinc/15/47/78/493154778.db2.gz YPMULMCQJRRFQS-UTUOFQBUSA-N 2 0 352.401 0.429 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627325930 493154938 /nfs/dbraw/zinc/15/49/38/493154938.db2.gz YPMULMCQJRRFQS-GRYCIOLGSA-N 2 0 352.401 0.429 20 0 FCADRP CS(=O)(=O)CCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090748 493161505 /nfs/dbraw/zinc/16/15/05/493161505.db2.gz WENUKTAEHBZYJZ-UHFFFAOYSA-N 2 0 367.515 0.921 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCC(C)CC1 ZINC000627351611 493170573 /nfs/dbraw/zinc/17/05/73/493170573.db2.gz XZJIUSMIHPPFKR-MRXNPFEDSA-N 2 0 356.511 0.293 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659453311 493183388 /nfs/dbraw/zinc/18/33/88/493183388.db2.gz KYAXQCMVQINRMX-RCCFBDPRSA-N 2 0 363.481 0.816 20 0 FCADRP C[N@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000659467750 493187257 /nfs/dbraw/zinc/18/72/57/493187257.db2.gz ZDEVFWODGVXVQD-UHFFFAOYSA-N 2 0 362.409 0.711 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC000659318614 493190645 /nfs/dbraw/zinc/19/06/45/493190645.db2.gz RKPZWFXYVFTDDB-OAHLLOKOSA-N 2 0 350.463 0.547 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481073 493192294 /nfs/dbraw/zinc/19/22/94/493192294.db2.gz FEAPJBMMLWSTJX-XJKSGUPXSA-N 2 0 370.457 0.961 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000627393691 493199866 /nfs/dbraw/zinc/19/98/66/493199866.db2.gz ICRMCCOEWSNGSF-QGZVFWFLSA-N 2 0 364.465 0.830 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627392650 493200090 /nfs/dbraw/zinc/20/00/90/493200090.db2.gz BCJYJSAJGJJKSJ-CHWSQXEVSA-N 2 0 366.428 0.820 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627423345 493212143 /nfs/dbraw/zinc/21/21/43/493212143.db2.gz LEEOEZHOWYNWNC-HNNXBMFYSA-N 2 0 354.495 0.252 20 0 FCADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000666670366 493213212 /nfs/dbraw/zinc/21/32/12/493213212.db2.gz ODTBXWGNWJYZJA-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659580439 493215975 /nfs/dbraw/zinc/21/59/75/493215975.db2.gz AYOUTLPPXJAZGB-UAXWRAGISA-N 2 0 354.401 0.290 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000659582018 493216652 /nfs/dbraw/zinc/21/66/52/493216652.db2.gz ZRXNUNJKGLZQLX-WOSRLPQWSA-N 2 0 354.401 0.779 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659640876 493227375 /nfs/dbraw/zinc/22/73/75/493227375.db2.gz KFUHHYBSUITJMG-KRWDZBQOSA-N 2 0 365.522 0.605 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000672693174 493233818 /nfs/dbraw/zinc/23/38/18/493233818.db2.gz QQEPTWDDBGDUGY-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666974373 493243130 /nfs/dbraw/zinc/24/31/30/493243130.db2.gz OKNQNTDNCBMBJE-MRXNPFEDSA-N 2 0 354.495 0.650 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000666977703 493244413 /nfs/dbraw/zinc/24/44/13/493244413.db2.gz HGIFAZBBRWAGBJ-SJORKVTESA-N 2 0 354.495 0.386 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000659673976 493244867 /nfs/dbraw/zinc/24/48/67/493244867.db2.gz JTUYWYGEPTXAFL-NJAFHUGGSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000659675580 493245737 /nfs/dbraw/zinc/24/57/37/493245737.db2.gz WADMAOHZYZXUKS-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000659678628 493246991 /nfs/dbraw/zinc/24/69/91/493246991.db2.gz MDUHPLNMBXYWLB-PVAVHDDUSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000659678001 493247401 /nfs/dbraw/zinc/24/74/01/493247401.db2.gz JOVCUFFRDTXCCJ-OAHLLOKOSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000659681830 493249267 /nfs/dbraw/zinc/24/92/67/493249267.db2.gz BLEPSBGMEZDBFN-CQSZACIVSA-N 2 0 356.536 0.578 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000659701278 493261296 /nfs/dbraw/zinc/26/12/96/493261296.db2.gz CVXWMBRVAPCTJK-GOEBONIOSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000659700175 493261463 /nfs/dbraw/zinc/26/14/63/493261463.db2.gz CRLIZGDJOILEDY-YDHLFZDLSA-N 2 0 352.504 0.971 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659702797 493262635 /nfs/dbraw/zinc/26/26/35/493262635.db2.gz UXCNQWNJFRSIHC-KURKYZTESA-N 2 0 362.518 0.968 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704417 493263469 /nfs/dbraw/zinc/26/34/69/493263469.db2.gz OUFLVQTZNNLDEB-KRWDZBQOSA-N 2 0 368.522 0.309 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000659708257 493266245 /nfs/dbraw/zinc/26/62/45/493266245.db2.gz NYVRKDYMMUKURQ-CQSZACIVSA-N 2 0 354.495 0.250 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000659721233 493272029 /nfs/dbraw/zinc/27/20/29/493272029.db2.gz YRDWALCJYJHCEP-QGZVFWFLSA-N 2 0 350.507 0.858 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)c(C)c2)CC1 ZINC000667293320 493272609 /nfs/dbraw/zinc/27/26/09/493272609.db2.gz PTSJRYPPEREVKC-UHFFFAOYSA-N 2 0 373.501 0.944 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCCC1 ZINC000659734339 493278169 /nfs/dbraw/zinc/27/81/69/493278169.db2.gz MZDVBZSMXKUYAV-UHFFFAOYSA-N 2 0 366.506 0.478 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000659750074 493285330 /nfs/dbraw/zinc/28/53/30/493285330.db2.gz MDUAQRXYBNKZKY-QGZVFWFLSA-N 2 0 360.502 0.878 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659751724 493286244 /nfs/dbraw/zinc/28/62/44/493286244.db2.gz JEUWRLDUXZOPDP-HNNXBMFYSA-N 2 0 361.490 0.871 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC000659757539 493287104 /nfs/dbraw/zinc/28/71/04/493287104.db2.gz ZPZPRVWGZNYBMV-KZNAEPCWSA-N 2 0 362.518 0.810 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000667538625 493289231 /nfs/dbraw/zinc/28/92/31/493289231.db2.gz JAHPPAHRWYBURO-PBHICJAKSA-N 2 0 360.458 0.776 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCc2nn[nH]c21 ZINC000667680773 493296075 /nfs/dbraw/zinc/29/60/75/493296075.db2.gz QVDDVKIVOFTOET-INIZCTEOSA-N 2 0 369.473 0.948 20 0 FCADRP CC(C)O[C@@]1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOC1 ZINC000659903798 493300326 /nfs/dbraw/zinc/30/03/26/493300326.db2.gz DLGJFTCWYMNJKJ-INIZCTEOSA-N 2 0 365.540 0.326 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795589 493302527 /nfs/dbraw/zinc/30/25/27/493302527.db2.gz HXVDDVADDAYOCO-QGZVFWFLSA-N 2 0 374.489 0.792 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000673225236 493304824 /nfs/dbraw/zinc/30/48/24/493304824.db2.gz SLSNKXOTNILORD-OAHLLOKOSA-N 2 0 361.490 0.823 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351073 493320487 /nfs/dbraw/zinc/32/04/87/493320487.db2.gz JGODILIHVIPVHE-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000673427649 493327939 /nfs/dbraw/zinc/32/79/39/493327939.db2.gz CCLWRANVXGPKHV-DLBZAZTESA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668548835 493375170 /nfs/dbraw/zinc/37/51/70/493375170.db2.gz PONPXMVGSXGZSO-KRWDZBQOSA-N 2 0 362.518 0.825 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000683877867 493376120 /nfs/dbraw/zinc/37/61/20/493376120.db2.gz RYQHAOOTVQCDPV-GASCZTMLSA-N 2 0 360.458 0.715 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000668584771 493380208 /nfs/dbraw/zinc/38/02/08/493380208.db2.gz FIZHEVKULWRJSI-ZWKOTPCHSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000668830400 493417799 /nfs/dbraw/zinc/41/77/99/493417799.db2.gz BESXJVWCJCORHV-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000661231711 493420175 /nfs/dbraw/zinc/42/01/75/493420175.db2.gz SMHDUAHTBBFPLH-INIZCTEOSA-N 2 0 353.511 0.762 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000661408798 493435468 /nfs/dbraw/zinc/43/54/68/493435468.db2.gz FWIDZXGNISKQJS-NVXWUHKLSA-N 2 0 357.458 0.283 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000675086751 493466060 /nfs/dbraw/zinc/46/60/60/493466060.db2.gz AWCCYTAFHOHCNP-UHFFFAOYSA-N 2 0 368.522 0.545 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000675190046 493472599 /nfs/dbraw/zinc/47/25/99/493472599.db2.gz GYQYHBIAUNFKBF-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000675194229 493472876 /nfs/dbraw/zinc/47/28/76/493472876.db2.gz PEXHQTNQJQLSAI-QGZVFWFLSA-N 2 0 365.522 0.810 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000669251728 493483586 /nfs/dbraw/zinc/48/35/86/493483586.db2.gz YOKNOJRFVCUPDP-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000662058284 493486944 /nfs/dbraw/zinc/48/69/44/493486944.db2.gz WWOIRKHKOPKKHR-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000662221619 493497740 /nfs/dbraw/zinc/49/77/40/493497740.db2.gz BGZLOGJQEANVOV-JSJNYSNDSA-N 2 0 368.566 0.291 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498189 /nfs/dbraw/zinc/49/81/89/493498189.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 2 0 372.598 0.783 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222566 493498563 /nfs/dbraw/zinc/49/85/63/493498563.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 2 0 372.598 0.783 20 0 FCADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000662265557 493501503 /nfs/dbraw/zinc/50/15/03/493501503.db2.gz RALRFCZDYWCBQE-HUUCEWRRSA-N 2 0 363.510 0.551 20 0 FCADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262964 493501885 /nfs/dbraw/zinc/50/18/85/493501885.db2.gz JGIMVFKRMBCSIO-GJZGRUSLSA-N 2 0 365.478 0.806 20 0 FCADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262967 493501915 /nfs/dbraw/zinc/50/19/15/493501915.db2.gz JGIMVFKRMBCSIO-LSDHHAIUSA-N 2 0 365.478 0.806 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284911 493502360 /nfs/dbraw/zinc/50/23/60/493502360.db2.gz QOWBIBPSXRDPTJ-UHFFFAOYSA-N 2 0 374.529 0.733 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC2(CO)CC[NH2+]CC2)CC1 ZINC000662285946 493502664 /nfs/dbraw/zinc/50/26/64/493502664.db2.gz BNZQVJDAXVAZJA-UHFFFAOYSA-N 2 0 374.529 0.733 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000669452556 493504228 /nfs/dbraw/zinc/50/42/28/493504228.db2.gz SHYDDODJHSZYEL-AEFFLSMTSA-N 2 0 373.501 0.871 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000662296752 493504431 /nfs/dbraw/zinc/50/44/31/493504431.db2.gz MZMWYEULZQUNEK-GOSISDBHSA-N 2 0 362.518 0.779 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000662354344 493509232 /nfs/dbraw/zinc/50/92/32/493509232.db2.gz DDIBKRVHPQSXCL-ZWKOTPCHSA-N 2 0 354.458 0.775 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662384502 493511719 /nfs/dbraw/zinc/51/17/19/493511719.db2.gz PIGCSKYANNQIOW-UHFFFAOYSA-N 2 0 357.462 0.627 20 0 FCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401641 493512977 /nfs/dbraw/zinc/51/29/77/493512977.db2.gz PMIWCSJJYCGHHO-SJLPKXTDSA-N 2 0 356.470 0.891 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnn1C ZINC000662462267 493517713 /nfs/dbraw/zinc/51/77/13/493517713.db2.gz KJKBTPUWJBJZFF-NZSAHSFTSA-N 2 0 374.533 0.270 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662787299 493542070 /nfs/dbraw/zinc/54/20/70/493542070.db2.gz MGNJTDCPEILMPE-HNNXBMFYSA-N 2 0 350.467 0.387 20 0 FCADRP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676303494 493543223 /nfs/dbraw/zinc/54/32/23/493543223.db2.gz CUIOIYFWQOSQTJ-WMZOPIPTSA-N 2 0 368.522 0.849 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662817263 493544844 /nfs/dbraw/zinc/54/48/44/493544844.db2.gz UFTLFIDNWQMGDH-QAPCUYQASA-N 2 0 361.490 0.947 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000662867711 493548198 /nfs/dbraw/zinc/54/81/98/493548198.db2.gz LLENBIFMDJREHU-PVAVHDDUSA-N 2 0 370.457 0.697 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662921502 493553497 /nfs/dbraw/zinc/55/34/97/493553497.db2.gz BVZCFOVCOHVVEJ-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662926041 493554385 /nfs/dbraw/zinc/55/43/85/493554385.db2.gz OIFBVPMXQVKUGX-QGZVFWFLSA-N 2 0 361.490 0.702 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946171 493559145 /nfs/dbraw/zinc/55/91/45/493559145.db2.gz BBTBGSIEJXNOCM-SJLPKXTDSA-N 2 0 358.486 0.582 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662957198 493560765 /nfs/dbraw/zinc/56/07/65/493560765.db2.gz UTAYGGGRKWRIDC-FUHWJXTLSA-N 2 0 358.486 0.582 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000662979886 493563308 /nfs/dbraw/zinc/56/33/08/493563308.db2.gz CTVAZNYWAOTNND-IKGGRYGDSA-N 2 0 366.506 0.143 20 0 FCADRP O=C(CC1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014908 493566465 /nfs/dbraw/zinc/56/64/65/493566465.db2.gz PMUAGHUBZZAFHJ-INIZCTEOSA-N 2 0 360.506 0.915 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016683 493566714 /nfs/dbraw/zinc/56/67/14/493566714.db2.gz DTJRFNBWKLDTRK-RYUDHWBXSA-N 2 0 356.421 0.508 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@H](C)C2)CC1=O ZINC000677175776 493588106 /nfs/dbraw/zinc/58/81/06/493588106.db2.gz JODGYIXRTRZYIL-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663612952 493603829 /nfs/dbraw/zinc/60/38/29/493603829.db2.gz WGSQQEQXKYRRPN-IBGZPJMESA-N 2 0 359.474 0.635 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000670983747 493620141 /nfs/dbraw/zinc/62/01/41/493620141.db2.gz JJZIWPNCCCHHNQ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000670984971 493620584 /nfs/dbraw/zinc/62/05/84/493620584.db2.gz BHSIHPQBQQZPJD-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874791 493620754 /nfs/dbraw/zinc/62/07/54/493620754.db2.gz DLKFOLFWCBBNKL-GJZGRUSLSA-N 2 0 354.520 0.364 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071374 493629480 /nfs/dbraw/zinc/62/94/80/493629480.db2.gz FZEOUUHECARNPU-GUYCJALGSA-N 2 0 356.536 0.386 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000671071677 493629495 /nfs/dbraw/zinc/62/94/95/493629495.db2.gz GRTBDMFWIZNPIE-KRWDZBQOSA-N 2 0 356.536 0.529 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664066074 493634084 /nfs/dbraw/zinc/63/40/84/493634084.db2.gz QYADGDIJTYUILP-IRXDYDNUSA-N 2 0 354.495 0.338 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671103233 493634260 /nfs/dbraw/zinc/63/42/60/493634260.db2.gz ZWCIVXWHOIAZDQ-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104486 493634976 /nfs/dbraw/zinc/63/49/76/493634976.db2.gz JBMYGUXHPAQKTM-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000671108078 493635896 /nfs/dbraw/zinc/63/58/96/493635896.db2.gz MQOMOUOKQCIBIN-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108114 493636558 /nfs/dbraw/zinc/63/65/58/493636558.db2.gz VSXVZDZTMCJDFE-HZPDHXFCSA-N 2 0 362.474 0.913 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000664141318 493639721 /nfs/dbraw/zinc/63/97/21/493639721.db2.gz MSMSTWWYPYXQBS-YVSFHVDLSA-N 2 0 356.511 0.440 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000664311786 493651951 /nfs/dbraw/zinc/65/19/51/493651951.db2.gz SUAIHVXFPNLOPW-INIZCTEOSA-N 2 0 359.540 0.085 20 0 FCADRP C[C@@H](CCN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778926 493683134 /nfs/dbraw/zinc/68/31/34/493683134.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 0 370.582 0.539 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000665232843 493705560 /nfs/dbraw/zinc/70/55/60/493705560.db2.gz VZHQAIBCXYFTJK-QNDJGXFYSA-N 2 0 352.475 0.957 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000665271272 493707982 /nfs/dbraw/zinc/70/79/82/493707982.db2.gz KNGSOEKUZSDMIA-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009161 493723890 /nfs/dbraw/zinc/72/38/90/493723890.db2.gz YXQNUMFWDFSLCR-JKSUJKDBSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013574 493724901 /nfs/dbraw/zinc/72/49/01/493724901.db2.gz LRULFUDJBIRQCL-WMLDXEAASA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000672012961 493724952 /nfs/dbraw/zinc/72/49/52/493724952.db2.gz DXLPKMWOQUWYIK-USXIJHARSA-N 2 0 350.507 0.918 20 0 FCADRP c1cc(N2CC[NH+](CCCNc3ncnc4c3OCCN4)CC2)cc[nH+]1 ZINC000665696518 493730040 /nfs/dbraw/zinc/73/00/40/493730040.db2.gz CISRUGFIAOZUIW-UHFFFAOYSA-N 2 0 355.446 0.413 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308750 493753245 /nfs/dbraw/zinc/75/32/45/493753245.db2.gz BFTBGIVAKXDPHL-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308749 493753814 /nfs/dbraw/zinc/75/38/14/493753814.db2.gz BFTBGIVAKXDPHL-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310971 493754716 /nfs/dbraw/zinc/75/47/16/493754716.db2.gz QBLIUIOTAZCHEO-VYDXJSESSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672311310 493754774 /nfs/dbraw/zinc/75/47/74/493754774.db2.gz CUISJHPRWQWUSD-WMLDXEAASA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000666183890 493761040 /nfs/dbraw/zinc/76/10/40/493761040.db2.gz PTTRCQXWGJKVQN-OAHLLOKOSA-N 2 0 350.467 0.820 20 0 FCADRP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCN(C)CC1 ZINC000173919696 533999419 /nfs/dbraw/zinc/99/94/19/533999419.db2.gz UKDGFFRPJLNPGH-HNNXBMFYSA-N 2 0 351.499 0.450 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000410469674 534019766 /nfs/dbraw/zinc/01/97/66/534019766.db2.gz CSLADKUDGVBOPB-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410475691 534019799 /nfs/dbraw/zinc/01/97/99/534019799.db2.gz NLFFZJJIKIUBAI-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP CC1(C)NC(=O)N(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000173951368 527788814 /nfs/dbraw/zinc/78/88/14/527788814.db2.gz CKXCUSFBYVGVPQ-UHFFFAOYSA-N 2 0 352.479 0.894 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845228 527805160 /nfs/dbraw/zinc/80/51/60/527805160.db2.gz QMQVWNMIESDFTK-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413043403 528131115 /nfs/dbraw/zinc/13/11/15/528131115.db2.gz WEPCLCPLMHYZCI-UHFFFAOYSA-N 2 0 355.527 0.424 20 0 FCADRP CC(C)C[C@@H](C(N)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000411789470 528234095 /nfs/dbraw/zinc/23/40/95/528234095.db2.gz OEYOWDSLXUOZMO-KRWDZBQOSA-N 2 0 361.490 0.858 20 0 FCADRP CCCN1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000411789101 528274132 /nfs/dbraw/zinc/27/41/32/528274132.db2.gz NZMYBINSGIFZJL-KRWDZBQOSA-N 2 0 373.501 0.968 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410806340 528433117 /nfs/dbraw/zinc/43/31/17/528433117.db2.gz DPXUKBKWDNXEND-UHFFFAOYSA-N 2 0 369.554 0.271 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413296936 529200715 /nfs/dbraw/zinc/20/07/15/529200715.db2.gz RBKFCWUYNHPKDS-HOTGVXAUSA-N 2 0 354.495 0.997 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419538518 536542629 /nfs/dbraw/zinc/54/26/29/536542629.db2.gz OZNWWSYYZCBMOC-GOEBONIOSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000423417528 535055233 /nfs/dbraw/zinc/05/52/33/535055233.db2.gz SNCCUJBDDZHQQO-QGZVFWFLSA-N 2 0 367.538 0.070 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000423417527 535056722 /nfs/dbraw/zinc/05/67/22/535056722.db2.gz SNCCUJBDDZHQQO-KRWDZBQOSA-N 2 0 367.538 0.070 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419695575 535072068 /nfs/dbraw/zinc/07/20/68/535072068.db2.gz LAHDWQDVRZPFFK-CVEARBPZSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419698214 535074441 /nfs/dbraw/zinc/07/44/41/535074441.db2.gz PFDUKKFCVNXJBV-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419155871 535081604 /nfs/dbraw/zinc/08/16/04/535081604.db2.gz SENOFENFQKKYNH-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000444169457 535440254 /nfs/dbraw/zinc/44/02/54/535440254.db2.gz KGRQONCRSXIUQK-SPYBWZPUSA-N 2 0 368.522 0.578 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419143008 535463093 /nfs/dbraw/zinc/46/30/93/535463093.db2.gz YLCDUTMKIBKCHH-UHFFFAOYSA-N 2 0 352.504 0.802 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419156174 535463208 /nfs/dbraw/zinc/46/32/08/535463208.db2.gz VAXWYFXTXXINDP-CQSZACIVSA-N 2 0 352.504 0.802 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423627273 535542133 /nfs/dbraw/zinc/54/21/33/535542133.db2.gz HDYWPCYSPRPYGH-HZPDHXFCSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423527512 535542371 /nfs/dbraw/zinc/54/23/71/535542371.db2.gz RPOGIVZZZYMEHW-OAHLLOKOSA-N 2 0 354.495 0.286 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423627268 535542381 /nfs/dbraw/zinc/54/23/81/535542381.db2.gz HDYWPCYSPRPYGH-CVEARBPZSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423626527 535542393 /nfs/dbraw/zinc/54/23/93/535542393.db2.gz SMOHRMRQQYUKRK-INIZCTEOSA-N 2 0 368.522 0.676 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423658825 535542744 /nfs/dbraw/zinc/54/27/44/535542744.db2.gz YCEGMNLAVKKMIH-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423451469 535549111 /nfs/dbraw/zinc/54/91/11/535549111.db2.gz VEELEXSNIXDKNU-SJORKVTESA-N 2 0 368.522 0.533 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000423451019 535549162 /nfs/dbraw/zinc/54/91/62/535549162.db2.gz UIHRKOWBRZQPLB-RDJZCZTQSA-N 2 0 368.522 0.532 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843317 535579578 /nfs/dbraw/zinc/57/95/78/535579578.db2.gz HVIUIAJPOVOKAB-QZTJIDSGSA-N 2 0 361.490 0.477 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790532 535595611 /nfs/dbraw/zinc/59/56/11/535595611.db2.gz PPGKLXGWLABERL-HNNXBMFYSA-N 2 0 351.499 0.415 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389429 535669790 /nfs/dbraw/zinc/66/97/90/535669790.db2.gz HOSUERYUTYJNAT-ROUUACIJSA-N 2 0 360.502 0.863 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425675041 535711678 /nfs/dbraw/zinc/71/16/78/535711678.db2.gz DVGQHPWWAHZGKM-FGTMMUONSA-N 2 0 351.539 0.996 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375854 535717065 /nfs/dbraw/zinc/71/70/65/535717065.db2.gz FDPOTWDFRUNNOV-WOCWXWTJSA-N 2 0 366.550 0.909 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415329491 535749678 /nfs/dbraw/zinc/74/96/78/535749678.db2.gz DHNRMEDZTBGHLS-MRXNPFEDSA-N 2 0 373.501 0.883 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)c2)CC1 ZINC000415394345 535750819 /nfs/dbraw/zinc/75/08/19/535750819.db2.gz MGQVHWFRCIHGAC-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1=O ZINC000424010945 535877152 /nfs/dbraw/zinc/87/71/52/535877152.db2.gz MBUDLNJKOUGTPX-BHYGNILZSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419666299 535902748 /nfs/dbraw/zinc/90/27/48/535902748.db2.gz VXKZWYMMENNYRF-AEFFLSMTSA-N 2 0 374.485 0.106 20 0 FCADRP C[NH+](C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775938 535940937 /nfs/dbraw/zinc/94/09/37/535940937.db2.gz PVGBYDQWYMNESS-LSDHHAIUSA-N 2 0 352.866 0.927 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000419848686 535946066 /nfs/dbraw/zinc/94/60/66/535946066.db2.gz WMNOOIKAHWHIPP-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587862 536140568 /nfs/dbraw/zinc/14/05/68/536140568.db2.gz QHNLJIWZMYRMHN-SFHVURJKSA-N 2 0 364.515 0.527 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582085 536141580 /nfs/dbraw/zinc/14/15/80/536141580.db2.gz JXUUNWFVRONQHM-YJBOKZPZSA-N 2 0 368.547 0.531 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423615739 536367743 /nfs/dbraw/zinc/36/77/43/536367743.db2.gz VHNGIRLVSIWWGJ-IPMKNSEASA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419221466 536369262 /nfs/dbraw/zinc/36/92/62/536369262.db2.gz AQJSBOHGSHRUNE-NXHRZFHOSA-N 2 0 358.486 0.834 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000414964581 536376786 /nfs/dbraw/zinc/37/67/86/536376786.db2.gz MLDXJCKCJSZFBK-RHSMWYFYSA-N 2 0 360.458 0.905 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419948729 536449742 /nfs/dbraw/zinc/44/97/42/536449742.db2.gz KNSNQJJKDZHXTK-MRXNPFEDSA-N 2 0 367.538 0.025 20 0 FCADRP COC[C@]1(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000423384378 536654615 /nfs/dbraw/zinc/65/46/15/536654615.db2.gz LDDTYICIHOVQJO-LNLFQRSKSA-N 2 0 352.523 0.630 20 0 FCADRP COC[C@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000424024754 536655135 /nfs/dbraw/zinc/65/51/35/536655135.db2.gz XWWAOIZFPZJPGI-IBGZPJMESA-N 3 0 360.502 0.722 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419748127 536746932 /nfs/dbraw/zinc/74/69/32/536746932.db2.gz FHFLIDOHCIEBBX-ZIAGYGMSSA-N 2 0 354.495 0.201 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419673301 536780029 /nfs/dbraw/zinc/78/00/29/536780029.db2.gz HCWMZGWOPPXOAU-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CC[NH2+]CC2)c(OC)c1 ZINC000414868966 536780280 /nfs/dbraw/zinc/78/02/80/536780280.db2.gz QNGHYBZBIWXCBN-AWEZNQCLSA-N 2 0 350.463 0.916 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419680380 536780477 /nfs/dbraw/zinc/78/04/77/536780477.db2.gz RDLBORKVOPHKCM-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418804885 536913304 /nfs/dbraw/zinc/91/33/04/536913304.db2.gz ZPBMXNADCCDOBY-SJORKVTESA-N 2 0 350.463 0.976 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CC2)c1 ZINC000414812265 537113773 /nfs/dbraw/zinc/11/37/73/537113773.db2.gz KQOLCFYMUXZPJQ-UHFFFAOYSA-N 2 0 369.425 0.836 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC000948385695 674376208 /nfs/dbraw/zinc/37/62/08/674376208.db2.gz OMYJUBDFLSTVCG-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC000948410431 674377047 /nfs/dbraw/zinc/37/70/47/674377047.db2.gz PKTLMIAIKWCIOL-ZMSDIMECSA-N 2 0 350.507 0.918 20 0 FCADRP CC1(C)CC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC(C)(C)[NH2+]1 ZINC000594084543 546773974 /nfs/dbraw/zinc/77/39/74/546773974.db2.gz YBUZNURRAIVJOC-CQSZACIVSA-N 2 0 353.511 0.935 20 0 FCADRP C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172076 546879699 /nfs/dbraw/zinc/87/96/99/546879699.db2.gz ICSZXYSXBIGTFA-QGZVFWFLSA-N 2 0 366.531 0.934 20 0 FCADRP CCC[C@@H]1CN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000501791845 546907882 /nfs/dbraw/zinc/90/78/82/546907882.db2.gz GWLCRIWKIHJRMJ-FCGDIQPGSA-N 2 0 357.539 0.889 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000423245030 546913978 /nfs/dbraw/zinc/91/39/78/546913978.db2.gz IKYIRVLZKVFOEB-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000423245029 546914170 /nfs/dbraw/zinc/91/41/70/546914170.db2.gz IKYIRVLZKVFOEB-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550838429 547110372 /nfs/dbraw/zinc/11/03/72/547110372.db2.gz HITIMYWZQRZKNN-PBHICJAKSA-N 2 0 356.536 0.340 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550902979 547113853 /nfs/dbraw/zinc/11/38/53/547113853.db2.gz XDJUWZOAJPBUQV-LSDHHAIUSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550914107 547114628 /nfs/dbraw/zinc/11/46/28/547114628.db2.gz QGOJGDXFENBIER-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043024 547122408 /nfs/dbraw/zinc/12/24/08/547122408.db2.gz RIWVJDZGYACGPN-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551075449 547124804 /nfs/dbraw/zinc/12/48/04/547124804.db2.gz YISLDLCOFALUPC-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210593 547134482 /nfs/dbraw/zinc/13/44/82/547134482.db2.gz GYDQNDFXIFLMAA-GUYCJALGSA-N 2 0 358.552 0.632 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000551217583 547135124 /nfs/dbraw/zinc/13/51/24/547135124.db2.gz SAYKPYJAUVMEFQ-QAPCUYQASA-N 2 0 368.547 0.627 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+]1CCCC1 ZINC000551471082 547147491 /nfs/dbraw/zinc/14/74/91/547147491.db2.gz ZMDMDFUIZJRJAJ-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)C1CCS(=O)(=O)CC1 ZINC000552064707 547185552 /nfs/dbraw/zinc/18/55/52/547185552.db2.gz JMZFHLKFNHXXJH-OAHLLOKOSA-N 2 0 359.536 0.782 20 0 FCADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552278758 547198226 /nfs/dbraw/zinc/19/82/26/547198226.db2.gz MCSNWSNERBQQJA-HZPDHXFCSA-N 2 0 359.536 0.924 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000552359177 547204087 /nfs/dbraw/zinc/20/40/87/547204087.db2.gz OIBXIOOWISOTPR-XHSDSOJGSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000552769432 547231606 /nfs/dbraw/zinc/23/16/06/547231606.db2.gz DZUFHBFHVPPPLR-MYBQVCMBSA-N 2 0 350.507 0.776 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000552851870 547236180 /nfs/dbraw/zinc/23/61/80/547236180.db2.gz WFEMYIODBORULR-PBHICJAKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000553037940 547248996 /nfs/dbraw/zinc/24/89/96/547248996.db2.gz MLGIRJBDMDFTPW-GOEBONIOSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000553712395 547301812 /nfs/dbraw/zinc/30/18/12/547301812.db2.gz XBSLPQZDKCONPX-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC1(C)C[N@H+](CCCN2CC[NH+](CCO)C(C)(C)C2)CCN1CCO ZINC000682036243 547393637 /nfs/dbraw/zinc/39/36/37/547393637.db2.gz MOXDWMXPCNNHOG-UHFFFAOYSA-N 2 0 356.555 0.154 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)O1 ZINC000948541656 674380479 /nfs/dbraw/zinc/38/04/79/674380479.db2.gz HMMHWPPCJQTHQX-BZUAXINKSA-N 2 0 354.495 0.107 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000949197459 674397330 /nfs/dbraw/zinc/39/73/30/674397330.db2.gz SLJPJZHQLZUHKC-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206094 674397549 /nfs/dbraw/zinc/39/75/49/674397549.db2.gz LTFPNTAAWUBBOL-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950255329 674423440 /nfs/dbraw/zinc/42/34/40/674423440.db2.gz KYCVZRFXRSPARR-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000950809477 674439731 /nfs/dbraw/zinc/43/97/31/674439731.db2.gz HNKYCCHVKKTDKS-HLLBOEOZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000950809475 674439783 /nfs/dbraw/zinc/43/97/83/674439783.db2.gz HNKYCCHVKKTDKS-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737837469 598761607 /nfs/dbraw/zinc/76/16/07/598761607.db2.gz HJBKHYIWEIQJMH-QWRGUYRKSA-N 2 0 373.486 0.897 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000950996455 674445765 /nfs/dbraw/zinc/44/57/65/674445765.db2.gz NNHCKIPUOVYDED-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000821627069 599395772 /nfs/dbraw/zinc/39/57/72/599395772.db2.gz LZQRMRKSMLBNNR-UHFFFAOYSA-N 2 0 355.450 0.242 20 0 FCADRP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000738421338 599486038 /nfs/dbraw/zinc/48/60/38/599486038.db2.gz RSEZGJUJILVZFF-UHFFFAOYSA-N 2 0 356.434 0.716 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408244 674496577 /nfs/dbraw/zinc/49/65/77/674496577.db2.gz AICQFPLABIEFQE-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954411792 674496768 /nfs/dbraw/zinc/49/67/68/674496768.db2.gz WHCCQJGZELRFAR-DJIMGWMZSA-N 2 0 350.507 0.869 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954490565 674498193 /nfs/dbraw/zinc/49/81/93/674498193.db2.gz AHMUTEZKWFQKSR-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000956064751 674517355 /nfs/dbraw/zinc/51/73/55/674517355.db2.gz YPBZMZCLLYXCDC-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821268441 606284668 /nfs/dbraw/zinc/28/46/68/606284668.db2.gz XFBBEKXNUIHCCD-OAHLLOKOSA-N 2 0 374.493 0.693 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000957015503 674533711 /nfs/dbraw/zinc/53/37/11/674533711.db2.gz XLXFDENEWTZKNK-IIDMSEBBSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825865423 608641771 /nfs/dbraw/zinc/64/17/71/608641771.db2.gz DLRBVQGHZFQEHP-UHFFFAOYSA-N 2 0 363.491 0.818 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230694 665933283 /nfs/dbraw/zinc/93/32/83/665933283.db2.gz PDWZPANATJLRBS-KRWDZBQOSA-N 2 0 354.539 0.877 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891339471 663352030 /nfs/dbraw/zinc/35/20/30/663352030.db2.gz BUAXIECJFLEAPP-OCCSQVGLSA-N 2 0 365.444 0.791 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971566818 663398055 /nfs/dbraw/zinc/39/80/55/663398055.db2.gz JOKZTCANFZANFK-HRCADAONSA-N 2 0 351.495 0.275 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103942 663404684 /nfs/dbraw/zinc/40/46/84/663404684.db2.gz OYVIVJCMUDQTNN-APIJFGDWSA-N 2 0 352.504 0.795 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)CC[N@@H+]1C ZINC001022109708 663405815 /nfs/dbraw/zinc/40/58/15/663405815.db2.gz RPDUTZCDZZZPRW-BQJWPVKWSA-N 2 0 350.507 0.963 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891480311 663408797 /nfs/dbraw/zinc/40/87/97/663408797.db2.gz AYIJSFKKDOZBOY-MPGHIAIKSA-N 2 0 351.495 0.513 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891481817 663408868 /nfs/dbraw/zinc/40/88/68/663408868.db2.gz HKKQWOUBTBVXAE-HNNXBMFYSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526613 663411930 /nfs/dbraw/zinc/41/19/30/663411930.db2.gz COATYSNNDQFSJL-HZPDHXFCSA-N 2 0 353.511 0.080 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891536976 663412791 /nfs/dbraw/zinc/41/27/91/663412791.db2.gz YCCTVIXXMOIGQD-OAHLLOKOSA-N 2 0 353.511 0.842 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891579966 663416885 /nfs/dbraw/zinc/41/68/85/663416885.db2.gz QIPVBOLLZGCQTM-KGLIPLIRSA-N 2 0 365.444 0.793 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCSC1 ZINC000891639874 663421408 /nfs/dbraw/zinc/42/14/08/663421408.db2.gz UYOHRVMSPXBITR-YOEHRIQHSA-N 2 0 356.536 0.882 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022355929 663439656 /nfs/dbraw/zinc/43/96/56/663439656.db2.gz SZCIBUZWQAKDCR-HZMVEIRTSA-N 2 0 350.507 0.726 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891973723 663460038 /nfs/dbraw/zinc/46/00/38/663460038.db2.gz XIWYTDBDHCTDGO-SJORKVTESA-N 2 0 353.511 0.224 20 0 FCADRP [NH3+]C1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCCC1 ZINC000891977973 663460434 /nfs/dbraw/zinc/46/04/34/663460434.db2.gz YOKMDUUQBBRSIV-MCIONIFRSA-N 2 0 351.451 0.225 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892089009 663475022 /nfs/dbraw/zinc/47/50/22/663475022.db2.gz NYDDZCXDKPVFRR-ZACQAIPSSA-N 2 0 353.511 0.352 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@H]21 ZINC000892107639 663476987 /nfs/dbraw/zinc/47/69/87/663476987.db2.gz LVPVYQIDIBQSBH-MCIONIFRSA-N 2 0 363.428 0.558 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892109031 663477444 /nfs/dbraw/zinc/47/74/44/663477444.db2.gz YLCKTMTZZTWRQM-QWRGUYRKSA-N 2 0 373.370 0.367 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000892262682 663507591 /nfs/dbraw/zinc/50/75/91/663507591.db2.gz GNYNEOHCCWMJFF-OAHLLOKOSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000892263404 663508660 /nfs/dbraw/zinc/50/86/60/663508660.db2.gz OXZRJCILNYHNOJ-UHFFFAOYSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000924489527 663610927 /nfs/dbraw/zinc/61/09/27/663610927.db2.gz ALFXVJXTAFYNCS-HZPDHXFCSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001023377659 663620331 /nfs/dbraw/zinc/62/03/31/663620331.db2.gz SNWCVMPCTNHSSG-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023377989 663620343 /nfs/dbraw/zinc/62/03/43/663620343.db2.gz ZMTVQHFELLAWRI-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[NH2+]C1 ZINC000892384520 663797666 /nfs/dbraw/zinc/79/76/66/663797666.db2.gz MPTDBGUFDJQHIZ-LSDHHAIUSA-N 2 0 353.511 0.794 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000892651524 664059235 /nfs/dbraw/zinc/05/92/35/664059235.db2.gz ZLLQHGCBUOYTJY-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973267745 664091876 /nfs/dbraw/zinc/09/18/76/664091876.db2.gz CPLWEYHJMTZEPW-HHARLNAUSA-N 2 0 350.507 0.963 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892758601 664137532 /nfs/dbraw/zinc/13/75/32/664137532.db2.gz GEUDOPIPMHXAAL-LSDHHAIUSA-N 2 0 354.495 0.290 20 0 FCADRP CC1(C)CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1CCO ZINC000892761982 664138113 /nfs/dbraw/zinc/13/81/13/664138113.db2.gz DTKNQFOXNKZSJH-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000892933150 664156028 /nfs/dbraw/zinc/15/60/28/664156028.db2.gz GKYJASILPRZRRV-OAHLLOKOSA-N 2 0 351.495 0.454 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000892933149 664156035 /nfs/dbraw/zinc/15/60/35/664156035.db2.gz GKYJASILPRZRRV-HNNXBMFYSA-N 2 0 351.495 0.454 20 0 FCADRP CCC1([NH3+])CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000892932600 664156041 /nfs/dbraw/zinc/15/60/41/664156041.db2.gz SIKXDLQSUQMHEE-UHFFFAOYSA-N 2 0 353.511 0.892 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000893238706 664218672 /nfs/dbraw/zinc/21/86/72/664218672.db2.gz OZYQMCBBABELMU-MRXNPFEDSA-N 2 0 355.527 0.016 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000974189069 664226832 /nfs/dbraw/zinc/22/68/32/664226832.db2.gz CFSWRJCMZODDFC-UHDSXZAQSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC000975229944 664309446 /nfs/dbraw/zinc/30/94/46/664309446.db2.gz QHUFKIOWOSDLLQ-YYIAUSFCSA-N 2 0 352.523 0.972 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)CC1 ZINC000978175636 664432702 /nfs/dbraw/zinc/43/27/02/664432702.db2.gz HEOHMCFAPDULBK-DZVNLGKHSA-N 2 0 353.482 0.997 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978879434 664449015 /nfs/dbraw/zinc/44/90/15/664449015.db2.gz CYQOBILPLJICCU-NNXHMXCWSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000980018600 664468981 /nfs/dbraw/zinc/46/89/81/664468981.db2.gz UHNWKRNLOXMNCP-HHARLNAUSA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@]2(C)C1 ZINC000893739848 664873021 /nfs/dbraw/zinc/87/30/21/664873021.db2.gz AUELXQJDRATZJX-MYZZLAAOSA-N 2 0 350.507 0.957 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001028551012 664901731 /nfs/dbraw/zinc/90/17/31/664901731.db2.gz XJEBVSMREWJLAD-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001028551390 664901909 /nfs/dbraw/zinc/90/19/09/664901909.db2.gz OAAOBJJGEDFZCQ-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000261864189 664942658 /nfs/dbraw/zinc/94/26/58/664942658.db2.gz NMHMFRZIUWWKDA-OCCSQVGLSA-N 2 0 350.429 0.965 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983962239 665009775 /nfs/dbraw/zinc/00/97/75/665009775.db2.gz AMZNEBAOFZBLSP-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000895668780 665054649 /nfs/dbraw/zinc/05/46/49/665054649.db2.gz RAQOGVCJDSWGSU-SFHVURJKSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000896184087 665072819 /nfs/dbraw/zinc/07/28/19/665072819.db2.gz KPQQJMQFJGXSIP-UHFFFAOYSA-N 2 0 351.491 0.858 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985065521 665130052 /nfs/dbraw/zinc/13/00/52/665130052.db2.gz LKNNTDAOLAJJIH-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000988099849 665275450 /nfs/dbraw/zinc/27/54/50/665275450.db2.gz XQLALKRUDPKLGX-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)CC1 ZINC000905343352 666021127 /nfs/dbraw/zinc/02/11/27/666021127.db2.gz PSBXWURFRMUPBH-MRXNPFEDSA-N 2 0 366.531 0.906 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000906412090 666052855 /nfs/dbraw/zinc/05/28/55/666052855.db2.gz RTZBCDFYKAGOFZ-NUJGCVRESA-N 2 0 352.523 0.580 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000906713704 666063332 /nfs/dbraw/zinc/06/33/32/666063332.db2.gz FMULTXCTFALKDC-QGZVFWFLSA-N 2 0 352.523 0.774 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000908186923 666191661 /nfs/dbraw/zinc/19/16/61/666191661.db2.gz YLVMIRUOTJRCSV-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000908186922 666191788 /nfs/dbraw/zinc/19/17/88/666191788.db2.gz YLVMIRUOTJRCSV-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911027959 666303842 /nfs/dbraw/zinc/30/38/42/666303842.db2.gz GECSJXAQINVJIS-BPKGMFCQSA-N 2 0 350.507 0.537 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000911035314 666307406 /nfs/dbraw/zinc/30/74/06/666307406.db2.gz SSXFASWIUMZHQB-UHFFFAOYSA-N 2 0 354.520 0.462 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911034506 666307412 /nfs/dbraw/zinc/30/74/12/666307412.db2.gz OJSIUGKVGJLSJY-QKPAOTATSA-N 2 0 354.495 0.045 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC3([NH3+])CC3)CCCC2)CC1 ZINC000911253779 666329845 /nfs/dbraw/zinc/32/98/45/666329845.db2.gz AJSMKUDVDFOTON-UHFFFAOYSA-N 2 0 352.479 0.134 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557440 666365611 /nfs/dbraw/zinc/36/56/11/666365611.db2.gz OWEVYIFOKZNBOK-HNNXBMFYSA-N 2 0 350.463 0.818 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564713 666367256 /nfs/dbraw/zinc/36/72/56/666367256.db2.gz VJHMLCHONBTYGD-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939490276 666516927 /nfs/dbraw/zinc/51/69/27/666516927.db2.gz IATHJFLOUOREBX-IXDOHACOSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000940288557 666544708 /nfs/dbraw/zinc/54/47/08/666544708.db2.gz UQFJUMUHMDIVGJ-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000940407616 666549264 /nfs/dbraw/zinc/54/92/64/666549264.db2.gz FWGIAANVROUITJ-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000940755500 666561100 /nfs/dbraw/zinc/56/11/00/666561100.db2.gz AACLOGXFGXLVDP-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)[NH+](C)C ZINC000992949436 666763445 /nfs/dbraw/zinc/76/34/45/666763445.db2.gz UCJKFHDZFDIXMB-FRQCXROJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995827637 666891804 /nfs/dbraw/zinc/89/18/04/666891804.db2.gz AIVLIDVFNDHBSS-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)CC1 ZINC000995835142 666892841 /nfs/dbraw/zinc/89/28/41/666892841.db2.gz VVSRSUOMNFIHEU-IKGGRYGDSA-N 2 0 353.507 0.552 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000993844622 666943470 /nfs/dbraw/zinc/94/34/70/666943470.db2.gz UJRXDYBWGUWWTB-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734269296 666959723 /nfs/dbraw/zinc/95/97/23/666959723.db2.gz CKALOQHYGCVWLI-KRWDZBQOSA-N 2 0 356.511 0.897 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000916016105 666986585 /nfs/dbraw/zinc/98/65/85/666986585.db2.gz XBPFEROIYVNIDW-UHFFFAOYSA-N 2 0 371.595 0.983 20 0 FCADRP CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000997792659 667176587 /nfs/dbraw/zinc/17/65/87/667176587.db2.gz JJHUTIJUFADYKE-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001002263159 667527718 /nfs/dbraw/zinc/52/77/18/667527718.db2.gz JCVNVJARGMZDNM-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)CC[N@@H+]1C ZINC001002851522 667571091 /nfs/dbraw/zinc/57/10/91/667571091.db2.gz JGYOLGCJEMEIIN-RHSMWYFYSA-N 2 0 371.547 0.732 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423379329 667603582 /nfs/dbraw/zinc/60/35/82/667603582.db2.gz XEPWYZJZDOLYTK-SFHVURJKSA-N 2 0 364.515 0.993 20 0 FCADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)CC1 ZINC000755777541 667648040 /nfs/dbraw/zinc/64/80/40/667648040.db2.gz HIQRQTLLLZLAON-HNNXBMFYSA-N 2 0 350.463 0.709 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001034570512 667761287 /nfs/dbraw/zinc/76/12/87/667761287.db2.gz LULUJCQCSGONMO-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001034647847 667762106 /nfs/dbraw/zinc/76/21/06/667762106.db2.gz QFNBDNKMSFQSML-WRQOLXDDSA-N 2 0 371.547 0.778 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280900 667821956 /nfs/dbraw/zinc/82/19/56/667821956.db2.gz LSBBLQAYQBPYFW-ZFWWWQNUSA-N 2 0 355.866 0.867 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923346259 667827297 /nfs/dbraw/zinc/82/72/97/667827297.db2.gz QOXQYDFIJSRMJT-JKSUJKDBSA-N 2 0 353.438 0.885 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923490969 667840855 /nfs/dbraw/zinc/84/08/55/667840855.db2.gz GMDWZAJRISVQSU-ZDUSSCGKSA-N 2 0 354.476 0.546 20 0 FCADRP C[NH+]1CCC(CNC(=S)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000760461548 667850467 /nfs/dbraw/zinc/85/04/67/667850467.db2.gz AHHBXANTXGXCNX-UHFFFAOYSA-N 2 0 353.580 0.916 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760481678 667850770 /nfs/dbraw/zinc/85/07/70/667850770.db2.gz CRSMMWJTMKDMSI-UHFFFAOYSA-N 2 0 369.579 0.689 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000739020056 667935323 /nfs/dbraw/zinc/93/53/23/667935323.db2.gz CFADZUQVDTXQIJ-IRXDYDNUSA-N 2 0 354.495 0.650 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000763034718 667941320 /nfs/dbraw/zinc/94/13/20/667941320.db2.gz YYUVLOHRBRKZLH-GJZGRUSLSA-N 2 0 352.483 0.206 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608583 668038390 /nfs/dbraw/zinc/03/83/90/668038390.db2.gz FTQZBEZSWZSHJP-STQMWFEESA-N 2 0 355.508 0.417 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064829 669360876 /nfs/dbraw/zinc/36/08/76/669360876.db2.gz YVCNIWXTPVGSIR-KKUMJFAQSA-N 2 0 354.495 0.058 20 0 FCADRP CSC1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+](C)CC1 ZINC000811876807 669777245 /nfs/dbraw/zinc/77/72/45/669777245.db2.gz ZZVZHYXGRGVGRM-LSDHHAIUSA-N 2 0 356.536 0.976 20 0 FCADRP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644268 669859957 /nfs/dbraw/zinc/85/99/57/669859957.db2.gz RCKQFJGBNURRMT-LSDHHAIUSA-N 2 0 351.882 0.939 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834521985 669962364 /nfs/dbraw/zinc/96/23/64/669962364.db2.gz BBQJIQLPGMQOLD-CQSZACIVSA-N 2 0 354.495 0.996 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000964929261 675076900 /nfs/dbraw/zinc/07/69/00/675076900.db2.gz YWDPFWCBDVQFNF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)NC(=O)N[C@@H]1C ZINC000818340515 670097527 /nfs/dbraw/zinc/09/75/27/670097527.db2.gz OMMNWSINEIUVBA-QWHCGFSZSA-N 2 0 350.463 0.969 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000965971961 675115563 /nfs/dbraw/zinc/11/55/63/675115563.db2.gz PXLXTQBFVRLKSQ-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCCCC1 ZINC000841727108 670606795 /nfs/dbraw/zinc/60/67/95/670606795.db2.gz XHPPCCOPWBZNNE-KBPBESRZSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCCCC1 ZINC000842014887 670625904 /nfs/dbraw/zinc/62/59/04/670625904.db2.gz GCPPFDWSUAWABL-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000842473265 670692212 /nfs/dbraw/zinc/69/22/12/670692212.db2.gz WOZYHANCWCORDZ-MRXNPFEDSA-N 2 0 352.479 0.751 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261331 670789578 /nfs/dbraw/zinc/78/95/78/670789578.db2.gz IOBUPLUHFGCABU-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000843263530 670790352 /nfs/dbraw/zinc/79/03/52/670790352.db2.gz XYHOELVXZYNUAU-HZPDHXFCSA-N 2 0 354.495 0.116 20 0 FCADRP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CC[NH2+]CC1 ZINC000843347882 670802262 /nfs/dbraw/zinc/80/22/62/670802262.db2.gz XZSMXTVVPCMNGP-UHFFFAOYSA-N 2 0 351.451 0.346 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000843388943 670811531 /nfs/dbraw/zinc/81/15/31/670811531.db2.gz YUAFYJQDBWLEHK-HOTGVXAUSA-N 2 0 352.479 0.609 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000845946381 671055274 /nfs/dbraw/zinc/05/52/74/671055274.db2.gz KMCOQYBOEQTPIL-GUYCJALGSA-N 2 0 358.483 0.014 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000846218895 671091284 /nfs/dbraw/zinc/09/12/84/671091284.db2.gz XUWAZWRYVQVSJP-HZPDHXFCSA-N 2 0 362.540 0.477 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000968010168 675177709 /nfs/dbraw/zinc/17/77/09/675177709.db2.gz NOHDSACYCHJNOM-RHSMWYFYSA-N 2 0 350.507 0.728 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000852746082 671523113 /nfs/dbraw/zinc/52/31/13/671523113.db2.gz DNBQXFBGTPDWGZ-YHUYYLMFSA-N 2 0 352.479 0.735 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000859293604 671811255 /nfs/dbraw/zinc/81/12/55/671811255.db2.gz JBJHNJGSFCBVMS-QKPAOTATSA-N 2 0 368.598 0.923 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC001049483531 675950566 /nfs/dbraw/zinc/95/05/66/675950566.db2.gz YITVSDGBAXFMAC-YVSFHVDLSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000861539804 671970159 /nfs/dbraw/zinc/97/01/59/671970159.db2.gz IAPHUOOENRYIGG-CYBMUJFWSA-N 2 0 350.488 0.980 20 0 FCADRP O=C([C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729606 675964483 /nfs/dbraw/zinc/96/44/83/675964483.db2.gz PHSGGGWDQPRDBQ-SJORKVTESA-N 2 0 351.491 0.858 20 0 FCADRP O=C([C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729603 675964595 /nfs/dbraw/zinc/96/45/95/675964595.db2.gz PHSGGGWDQPRDBQ-DLBZAZTESA-N 2 0 351.491 0.858 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937425 672088569 /nfs/dbraw/zinc/08/85/69/672088569.db2.gz FXYCTTIXTCMBOP-JKIFEVAISA-N 2 0 352.458 0.804 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)nc1F ZINC000866730918 672293612 /nfs/dbraw/zinc/29/36/12/672293612.db2.gz OIRMILLZFLQQSB-UHFFFAOYSA-N 2 0 352.863 0.988 20 0 FCADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055505065 676021611 /nfs/dbraw/zinc/02/16/11/676021611.db2.gz DBCGHIPLFPKPAX-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)O1 ZINC001055650993 676029709 /nfs/dbraw/zinc/02/97/09/676029709.db2.gz CPPRFFTYUPMDCA-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP CC[C@@H]1COCCN1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000875429361 672881709 /nfs/dbraw/zinc/88/17/09/672881709.db2.gz JZRHQIUIIPGSMA-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001001423556 676071466 /nfs/dbraw/zinc/07/14/66/676071466.db2.gz DGVNXTJXVUGOSK-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001421439 676071564 /nfs/dbraw/zinc/07/15/64/676071564.db2.gz YARQBSPAWKHXGU-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051621708 676106358 /nfs/dbraw/zinc/10/63/58/676106358.db2.gz BIBLYAXFHBMITC-FVQBIDKESA-N 2 0 350.463 0.949 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)C1 ZINC000879249470 673107272 /nfs/dbraw/zinc/10/72/72/673107272.db2.gz QTFITSQLMCHQNV-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248665 673107307 /nfs/dbraw/zinc/10/73/07/673107307.db2.gz WQKQEQIJXFZACS-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000880129467 673174876 /nfs/dbraw/zinc/17/48/76/673174876.db2.gz JOLSJESDQSAUMT-FGTMMUONSA-N 2 0 352.523 0.628 20 0 FCADRP C[C@@H]1C[NH+](CCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000880253442 673183759 /nfs/dbraw/zinc/18/37/59/673183759.db2.gz PSYAJZJLKKYOCF-IAGOWNOFSA-N 2 0 352.523 0.901 20 0 FCADRP COC(=O)C1(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000882471536 673313838 /nfs/dbraw/zinc/31/38/38/673313838.db2.gz VLJSTWGAXQNMFN-ZIAGYGMSSA-N 2 0 361.508 0.083 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000882767120 673346969 /nfs/dbraw/zinc/34/69/69/673346969.db2.gz BYLOPZKPOMIIMW-UHFFFAOYSA-N 2 0 358.552 0.514 20 0 FCADRP CNS(=O)(=O)c1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000883410893 673373962 /nfs/dbraw/zinc/37/39/62/673373962.db2.gz LWXZCTTXNCQFBQ-UHFFFAOYSA-N 2 0 352.504 0.716 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883457898 673376491 /nfs/dbraw/zinc/37/64/91/673376491.db2.gz RBVDKSWRJIXYDV-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344333 673448781 /nfs/dbraw/zinc/44/87/81/673448781.db2.gz CMVBOQYEBKQUEK-JYJNAYRXSA-N 2 0 351.495 0.367 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccsc1 ZINC000884559052 673462291 /nfs/dbraw/zinc/46/22/91/673462291.db2.gz LDRMUUOSIDQGLR-KKUMJFAQSA-N 2 0 350.488 0.820 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884587420 673464133 /nfs/dbraw/zinc/46/41/33/673464133.db2.gz IJSYQKKFPFPJAG-GOSISDBHSA-N 2 0 356.511 0.294 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884597802 673464863 /nfs/dbraw/zinc/46/48/63/673464863.db2.gz KHKAWQSGHAMNDF-LUKYLMHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884616926 673466271 /nfs/dbraw/zinc/46/62/71/673466271.db2.gz FENKXIMUXJPGQV-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884616691 673466298 /nfs/dbraw/zinc/46/62/98/673466298.db2.gz ANCRCQIMWLUTAE-LBPRGKRZSA-N 2 0 365.503 0.477 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1=CC[N@H+](C)CC1 ZINC000884623718 673466935 /nfs/dbraw/zinc/46/69/35/673466935.db2.gz MLRZNMMQSPMKCH-LLVKDONJSA-N 2 0 363.487 0.253 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[NH2+]C1 ZINC000884625442 673466996 /nfs/dbraw/zinc/46/69/96/673466996.db2.gz JKGOKQIDIHVWSL-INIZCTEOSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000884638956 673468752 /nfs/dbraw/zinc/46/87/52/673468752.db2.gz MUSNEMUYKZQVPS-ZIAGYGMSSA-N 2 0 354.520 0.412 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664148 673470711 /nfs/dbraw/zinc/47/07/11/673470711.db2.gz DTMWVWBOIIYRPX-STQMWFEESA-N 2 0 360.449 0.584 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000884669853 673471164 /nfs/dbraw/zinc/47/11/64/673471164.db2.gz IGHRBRZEWUEXHT-FRRDWIJNSA-N 2 0 364.412 0.430 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000884669666 673471320 /nfs/dbraw/zinc/47/13/20/673471320.db2.gz CJWJDGUGFJSPDJ-AAEUAGOBSA-N 2 0 363.487 0.230 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000885007860 673497280 /nfs/dbraw/zinc/49/72/80/673497280.db2.gz LVFPYDIBXQSBST-KSWRQPAISA-N 2 0 350.507 0.964 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009275 673497630 /nfs/dbraw/zinc/49/76/30/673497630.db2.gz OWPSPOSFUWQWBE-YYIAUSFCSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000885008923 673497638 /nfs/dbraw/zinc/49/76/38/673497638.db2.gz UIFDKKUBVRKNHR-NQNKBUKLSA-N 2 0 350.507 0.822 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885291524 673513027 /nfs/dbraw/zinc/51/30/27/673513027.db2.gz OVDSATPWGKQNOE-UONOGXRCSA-N 2 0 360.449 0.680 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000887064796 673617675 /nfs/dbraw/zinc/61/76/75/673617675.db2.gz PLXWHFZIJRXCMN-OAHLLOKOSA-N 2 0 352.479 0.040 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887078842 673620462 /nfs/dbraw/zinc/62/04/62/673620462.db2.gz FAVQAWBJHWNUMO-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000887303284 673626953 /nfs/dbraw/zinc/62/69/53/673626953.db2.gz PGFRFMMGQCGBKZ-DEYYWGMASA-N 2 0 351.447 0.341 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926129389 673812420 /nfs/dbraw/zinc/81/24/20/673812420.db2.gz DBSJXRDGNPQCOM-AWEZNQCLSA-N 2 0 350.467 0.725 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)CC1 ZINC000926336753 673824307 /nfs/dbraw/zinc/82/43/07/673824307.db2.gz HNNWRFUCPYEKSG-CGZBRXJRSA-N 2 0 350.507 0.907 20 0 FCADRP CC1(C)CN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC[N@@H+]1CCO ZINC000927637774 673873362 /nfs/dbraw/zinc/87/33/62/673873362.db2.gz VURJCBFRYXZHPE-INIZCTEOSA-N 2 0 354.495 0.338 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCSC1 ZINC000929465356 673957681 /nfs/dbraw/zinc/95/76/81/673957681.db2.gz PFEORMPIFQBBLC-KRWDZBQOSA-N 2 0 356.536 0.388 20 0 FCADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000929506805 673959844 /nfs/dbraw/zinc/95/98/44/673959844.db2.gz QBBXRZBXBAHCJN-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1C[C@H]1CCC[NH+]1C ZINC000930033520 673993780 /nfs/dbraw/zinc/99/37/80/673993780.db2.gz YOOGZMCEMDGLFX-KZNAEPCWSA-N 2 0 351.539 0.249 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001007370003 675288271 /nfs/dbraw/zinc/28/82/71/675288271.db2.gz VPJGBSLZZYLGFF-HRCADAONSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC[N@@H+]1C ZINC001011212043 675377405 /nfs/dbraw/zinc/37/74/05/675377405.db2.gz YTNXJSRUINXLEM-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001020171105 675436125 /nfs/dbraw/zinc/43/61/25/675436125.db2.gz OBKOLYMVGIYIKG-FDYHWXHSSA-N 2 0 356.421 0.620 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001020171936 675436444 /nfs/dbraw/zinc/43/64/44/675436444.db2.gz DSDAVPWECCQSSA-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444659 675653711 /nfs/dbraw/zinc/65/37/11/675653711.db2.gz FKRCXUZWCVZNEC-IJEWVQPXSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000900602371 675698605 /nfs/dbraw/zinc/69/86/05/675698605.db2.gz QMDZFCNVQZPTBJ-UHFFFAOYSA-N 2 0 354.539 0.708 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900694251 675708330 /nfs/dbraw/zinc/70/83/30/675708330.db2.gz BZYKSDLRNYHNRF-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001046329952 675708675 /nfs/dbraw/zinc/70/86/75/675708675.db2.gz DFVKJOQHNQSRLS-HDMKZQKVSA-N 2 0 351.495 0.323 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000900812532 675719982 /nfs/dbraw/zinc/71/99/82/675719982.db2.gz WDYBHZFYRHOOIC-ROUUACIJSA-N 2 0 353.555 0.543 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000900844995 675723464 /nfs/dbraw/zinc/72/34/64/675723464.db2.gz IZXUOCXLDYQTTQ-MSOLQXFVSA-N 2 0 354.539 0.706 20 0 FCADRP C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001020597842 1168136954 /nfs/dbraw/zinc/13/69/54/1168136954.db2.gz PXIJBAWLFHLMTJ-CQJMVSDSSA-N 2 0 359.474 0.723 20 0 FCADRP CCCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001020603645 1168148166 /nfs/dbraw/zinc/14/81/66/1168148166.db2.gz KJVZZVJZPQOALI-KBUPBQIOSA-N 2 0 357.462 0.962 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001167096206 1168207898 /nfs/dbraw/zinc/20/78/98/1168207898.db2.gz WMNPPVBISSUGOC-OIISXLGYSA-N 2 0 371.489 0.712 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104289282 1169435029 /nfs/dbraw/zinc/43/50/29/1169435029.db2.gz IVYJDRKZDNHURA-INMHGKMJSA-N 2 0 366.506 0.189 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)C1 ZINC001021490995 1169472400 /nfs/dbraw/zinc/47/24/00/1169472400.db2.gz VNGISEGYYLEUIE-HRCADAONSA-N 2 0 359.474 0.743 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897527007 1192372048 /nfs/dbraw/zinc/37/20/48/1192372048.db2.gz WBOAOPHQGSOPBJ-HZPDHXFCSA-N 2 0 361.490 0.965 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)c2nccc(N3CC[NH2+]CC3)n2)COC1 ZINC001167364933 1169681108 /nfs/dbraw/zinc/68/11/08/1169681108.db2.gz GTFSHYJUZPOITA-UHFFFAOYSA-N 2 0 354.458 0.621 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C ZINC001104294231 1169683359 /nfs/dbraw/zinc/68/33/59/1169683359.db2.gz DSQOAOLVSIIGES-QLFBSQMISA-N 2 0 363.510 0.830 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)c2ccnc(N3CC[NH2+]CC3)n2)COC1 ZINC001167365372 1169684841 /nfs/dbraw/zinc/68/48/41/1169684841.db2.gz SFWVLTWZQBLOMY-UHFFFAOYSA-N 2 0 354.458 0.621 20 0 FCADRP COc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001482769325 1192381550 /nfs/dbraw/zinc/38/15/50/1192381550.db2.gz HVETXZCPNFGDJA-RBSFLKMASA-N 2 0 359.430 0.194 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC001021699321 1169894158 /nfs/dbraw/zinc/89/41/58/1169894158.db2.gz OSZMEJSBJMFKAO-YESZJQIVSA-N 2 0 360.502 0.626 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001021713986 1169919196 /nfs/dbraw/zinc/91/91/96/1169919196.db2.gz GWHKVNRJDBODQF-GVDBMIGSSA-N 2 0 359.474 0.735 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356189 1170005547 /nfs/dbraw/zinc/00/55/47/1170005547.db2.gz RLYKNFWJUDRQFA-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000897529341 1192396638 /nfs/dbraw/zinc/39/66/38/1192396638.db2.gz JBAFIXORAOWYMF-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@@H+]1C ZINC001687261835 1170098341 /nfs/dbraw/zinc/09/83/41/1170098341.db2.gz UTQOYHVOMJKIGD-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC001021885300 1170250586 /nfs/dbraw/zinc/25/05/86/1170250586.db2.gz HKSZOEAMZAJGBY-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CCc4ncc[nH]4)C[C@H]32)CC1 ZINC001022035525 1170447919 /nfs/dbraw/zinc/44/79/19/1170447919.db2.gz QMCJJMJKUTZMFP-JKSUJKDBSA-N 2 0 359.474 0.743 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569254 1170545269 /nfs/dbraw/zinc/54/52/69/1170545269.db2.gz AJSRHSPDISBNIO-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@H]1C ZINC001104367129 1170649610 /nfs/dbraw/zinc/64/96/10/1170649610.db2.gz IELGGNCDQRGNTO-BPLDGKMQSA-N 2 0 361.490 0.643 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891646407 1170781207 /nfs/dbraw/zinc/78/12/07/1170781207.db2.gz KZDGANQYIFJDIR-GCSSGZNBSA-N 2 0 365.478 0.436 20 0 FCADRP C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C[NH+](C)C ZINC000891663651 1170802527 /nfs/dbraw/zinc/80/25/27/1170802527.db2.gz BSKCGGWBCXYPIE-BARDWOONSA-N 2 0 367.494 0.539 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673265 1170804287 /nfs/dbraw/zinc/80/42/87/1170804287.db2.gz JATOWBCBKSYGAE-BTAUDXDXSA-N 2 0 363.462 0.046 20 0 FCADRP COCCC1(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[NH2+]CC1 ZINC000891695281 1170819669 /nfs/dbraw/zinc/81/96/69/1170819669.db2.gz XEKZUCDLSOBSNW-SJORKVTESA-N 2 0 368.522 0.822 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)O1 ZINC000891728723 1170836990 /nfs/dbraw/zinc/83/69/90/1170836990.db2.gz OKCIWMRVQJNOMJ-XDNAFOTISA-N 2 0 368.522 0.726 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CC1 ZINC001691249473 1170886827 /nfs/dbraw/zinc/88/68/27/1170886827.db2.gz TWHXZBJGVZMHSF-DOTOQJQBSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001691254816 1170892985 /nfs/dbraw/zinc/89/29/85/1170892985.db2.gz CUOIRZRRZILKRB-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001691258854 1170924196 /nfs/dbraw/zinc/92/41/96/1170924196.db2.gz QAFOEZIQDNTDLY-LSDHHAIUSA-N 2 0 364.494 0.215 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691268611 1171002936 /nfs/dbraw/zinc/00/29/36/1171002936.db2.gz WEORENNTPZZQID-IXDOHACOSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001691268303 1171003504 /nfs/dbraw/zinc/00/35/04/1171003504.db2.gz JRVVGRZNDRVMML-QLFBSQMISA-N 2 0 367.519 0.881 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)[C@H](CNCc2nncn2C)C1 ZINC001087183524 1171064768 /nfs/dbraw/zinc/06/47/68/1171064768.db2.gz UYUUUMRGIVLMQS-INMHGKMJSA-N 2 0 371.489 0.991 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000891926846 1171084028 /nfs/dbraw/zinc/08/40/28/1171084028.db2.gz OXZLGYQCPOTRMQ-HNAYVOBHSA-N 2 0 365.522 0.570 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001691324489 1171097595 /nfs/dbraw/zinc/09/75/95/1171097595.db2.gz IJTOWESNTXKQBD-BFHYXJOUSA-N 2 0 351.451 0.698 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001691355830 1171192860 /nfs/dbraw/zinc/19/28/60/1171192860.db2.gz AQYIEDUXUILBAD-WCXIOVBPSA-N 2 0 365.522 0.569 20 0 FCADRP Cc1ccc(-n2cnnn2)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548521336 1171435868 /nfs/dbraw/zinc/43/58/68/1171435868.db2.gz KSQWFVGOGSAPJH-UHFFFAOYSA-N 2 0 360.466 0.928 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000892093960 1171573899 /nfs/dbraw/zinc/57/38/99/1171573899.db2.gz XZGKQVJMPNUZHX-QZTJIDSGSA-N 2 0 367.538 0.600 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892189122 1171711011 /nfs/dbraw/zinc/71/10/11/1171711011.db2.gz RHCVHDGMPZQTLT-NEADZQPHSA-N 2 0 365.478 0.436 20 0 FCADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746055 1171852618 /nfs/dbraw/zinc/85/26/18/1171852618.db2.gz CMNFRFIEYRPXTD-XDNAFOTISA-N 2 0 368.485 0.897 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC000972236449 1171873545 /nfs/dbraw/zinc/87/35/45/1171873545.db2.gz DWFJFWWZFZBWDD-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000892267140 1171879115 /nfs/dbraw/zinc/87/91/15/1171879115.db2.gz SFVBOMNXFLXNPU-HNNXBMFYSA-N 2 0 363.506 0.644 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC000972243820 1171883529 /nfs/dbraw/zinc/88/35/29/1171883529.db2.gz YTVMCJQASADYMH-BRWVUGGUSA-N 2 0 360.502 0.626 20 0 FCADRP O=C(N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249682 1172022980 /nfs/dbraw/zinc/02/29/80/1172022980.db2.gz REAOAUVHRMYOCD-OKZBNKHCSA-N 2 0 363.502 0.953 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000989065023 1192668881 /nfs/dbraw/zinc/66/88/81/1192668881.db2.gz NKMBHSWLEQDZQJ-GUXCAODWSA-N 2 0 360.502 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897544512 1192747524 /nfs/dbraw/zinc/74/75/24/1192747524.db2.gz ABONYHURTABFHV-KRWDZBQOSA-N 2 0 367.538 0.914 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)O1 ZINC001075938694 1192824770 /nfs/dbraw/zinc/82/47/70/1192824770.db2.gz FVRCZDWOTGDDJF-CYGHRXIMSA-N 2 0 361.490 0.214 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001059976911 1192837655 /nfs/dbraw/zinc/83/76/55/1192837655.db2.gz VUGLETFHIZNPRF-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000897939886 1192852258 /nfs/dbraw/zinc/85/22/58/1192852258.db2.gz ULYJWJUHYDHQCT-HOTGVXAUSA-N 2 0 366.506 0.033 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001691570407 1192886985 /nfs/dbraw/zinc/88/69/85/1192886985.db2.gz FAPCTASBFDZFQJ-SOLBZPMBSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104450867 1178885924 /nfs/dbraw/zinc/88/59/24/1178885924.db2.gz LOPGLVXSPKABLR-NVXWUHKLSA-N 2 0 360.502 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001691440514 1179019712 /nfs/dbraw/zinc/01/97/12/1179019712.db2.gz NFWDRFIUTNCQSW-LVQVYYBASA-N 2 0 371.547 0.636 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)[NH+](C)C ZINC000972664690 1180214904 /nfs/dbraw/zinc/21/49/04/1180214904.db2.gz KCRQJWBZGVINNZ-KURKYZTESA-N 2 0 364.534 0.974 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000080066412 1180399102 /nfs/dbraw/zinc/39/91/02/1180399102.db2.gz UHBMHEFZUQYDET-GOSISDBHSA-N 2 0 369.554 0.668 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC000972738708 1180682183 /nfs/dbraw/zinc/68/21/83/1180682183.db2.gz FMBNQJLPDYFQNM-SUMDDJOVSA-N 2 0 362.518 0.870 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccccc1 ZINC001211629478 1180863544 /nfs/dbraw/zinc/86/35/44/1180863544.db2.gz SLISHUZVEJCFIY-ZWKOTPCHSA-N 2 0 370.497 0.945 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462747 1181206239 /nfs/dbraw/zinc/20/62/39/1181206239.db2.gz UHQIFHQYHPAFSU-IXDOHACOSA-N 2 0 371.441 0.038 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024861911 1181702071 /nfs/dbraw/zinc/70/20/71/1181702071.db2.gz MEEZRXMCBBLVJL-BRWVUGGUSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)CCC1 ZINC001024863477 1181703608 /nfs/dbraw/zinc/70/36/08/1181703608.db2.gz CTNUPRXVOVULQV-HZPDHXFCSA-N 2 0 371.441 0.120 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@@H]21 ZINC000892519222 1181710346 /nfs/dbraw/zinc/71/03/46/1181710346.db2.gz MZHQRSPSOCXJJK-QAPCUYQASA-N 2 0 369.473 0.962 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892523890 1181731835 /nfs/dbraw/zinc/73/18/35/1181731835.db2.gz GPJQNUUCWDMESA-UHFFFAOYSA-N 2 0 357.462 0.962 20 0 FCADRP COc1cccc(CN2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083274010 1181741189 /nfs/dbraw/zinc/74/11/89/1181741189.db2.gz RNPKCFKEMNDKMU-HYVNUMGLSA-N 2 0 360.458 0.454 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000892528009 1181741654 /nfs/dbraw/zinc/74/16/54/1181741654.db2.gz AZLRHDFCOOPIAU-QGZVFWFLSA-N 2 0 357.462 0.962 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892788112 1182507400 /nfs/dbraw/zinc/50/74/00/1182507400.db2.gz BJLDWOVTFOJBGF-ZWKOTPCHSA-N 2 0 373.501 0.730 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083283907 1182511662 /nfs/dbraw/zinc/51/16/62/1182511662.db2.gz AYRLAGVPNGYXBO-IXDOHACOSA-N 2 0 364.490 0.053 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000892933842 1182595473 /nfs/dbraw/zinc/59/54/73/1182595473.db2.gz QSRUPOFKIUKRJO-JKSUJKDBSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001025683990 1182682483 /nfs/dbraw/zinc/68/24/83/1182682483.db2.gz WDAOLTOSMXBKJC-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001112523046 1182774189 /nfs/dbraw/zinc/77/41/89/1182774189.db2.gz ZPODVWNYPJUTQJ-FCEWJHQRSA-N 2 0 360.506 0.935 20 0 FCADRP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792915 1182844382 /nfs/dbraw/zinc/84/43/82/1182844382.db2.gz KSJJFRGBCJISOJ-SUMCQTLJSA-N 2 0 362.518 0.774 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063349 1182878036 /nfs/dbraw/zinc/87/80/36/1182878036.db2.gz PKNGSZCKQLHXDI-VIGLNSERSA-N 2 0 370.497 0.513 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104809728 1182929208 /nfs/dbraw/zinc/92/92/08/1182929208.db2.gz PWZCBIBLXQBFDA-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908432 1182990860 /nfs/dbraw/zinc/99/08/60/1182990860.db2.gz WVNNSMBRVCGWEM-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001104908977 1182992402 /nfs/dbraw/zinc/99/24/02/1182992402.db2.gz QXVQFGYXMJSOJE-OAGGEKHMSA-N 2 0 371.489 0.816 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104932920 1183007014 /nfs/dbraw/zinc/00/70/14/1183007014.db2.gz VORSRUCPJCFJJM-IAGOWNOFSA-N 2 0 367.538 0.818 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104932772 1183007540 /nfs/dbraw/zinc/00/75/40/1183007540.db2.gz NCBWMRCSTVSXDG-RBSFLKMASA-N 2 0 369.510 0.376 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104932682 1183007720 /nfs/dbraw/zinc/00/77/20/1183007720.db2.gz HFQBGMLXDTZCRB-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000974163996 1183021946 /nfs/dbraw/zinc/02/19/46/1183021946.db2.gz WSMUYSTWPRUNRA-FLXSYLCISA-N 2 0 362.518 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001105062167 1183098147 /nfs/dbraw/zinc/09/81/47/1183098147.db2.gz DCCYYFGVSYGQQW-HZPDHXFCSA-N 2 0 363.510 0.660 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001026514353 1183145890 /nfs/dbraw/zinc/14/58/90/1183145890.db2.gz BDVZJNDKBUTJPG-RDHHWEPZSA-N 2 0 366.506 0.345 20 0 FCADRP COCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243817 1183151257 /nfs/dbraw/zinc/15/12/57/1183151257.db2.gz JCUNPORYHDKCTQ-RHSMWYFYSA-N 2 0 364.494 0.518 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267925028 1183154340 /nfs/dbraw/zinc/15/43/40/1183154340.db2.gz LSRHPCVAUTZUDS-KBUPBQIOSA-N 2 0 367.494 0.189 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418506655 1183236876 /nfs/dbraw/zinc/23/68/76/1183236876.db2.gz GWMDGRIWWQVREZ-UHFFFAOYSA-N 2 0 367.538 0.993 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@@H]2CN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC000974632399 1183383748 /nfs/dbraw/zinc/38/37/48/1183383748.db2.gz HHXXVKXWMNLWEM-HZPDHXFCSA-N 2 0 356.430 0.538 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1 ZINC000974635475 1183397995 /nfs/dbraw/zinc/39/79/95/1183397995.db2.gz VUBAFCHRUPNGRO-JFIYKMOQSA-N 2 0 367.453 0.959 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(C4CC4)nn3C)C2)CC[N@@H+]1C ZINC001026853191 1183416941 /nfs/dbraw/zinc/41/69/41/1183416941.db2.gz AEVLOGHATQXYHK-IJEWVQPXSA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC[N@@H+]1C ZINC000978870604 1186014886 /nfs/dbraw/zinc/01/48/86/1186014886.db2.gz MSDBXZUYBXRDSX-BKQXGZDCSA-N 2 0 359.474 0.864 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001481469562 1186092647 /nfs/dbraw/zinc/09/26/47/1186092647.db2.gz UQLDGZBYIVGPDP-GUDVDZBRSA-N 2 0 366.550 0.829 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001481514280 1186214271 /nfs/dbraw/zinc/21/42/71/1186214271.db2.gz VXQPHFHPZKTAEG-UMVBOHGHSA-N 2 0 367.494 0.080 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001211720973 1187466902 /nfs/dbraw/zinc/46/69/02/1187466902.db2.gz UQWLBFVEVXEUAF-CEXWTWQISA-N 2 0 361.486 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211732366 1187519252 /nfs/dbraw/zinc/51/92/52/1187519252.db2.gz CDSVJFLPXOTBHK-ZWKOTPCHSA-N 2 0 360.502 0.999 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000420159461 1187799434 /nfs/dbraw/zinc/79/94/34/1187799434.db2.gz CPPGAPYGCKXEDR-QGZVFWFLSA-N 2 0 362.449 0.971 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1n[nH]c2c1CN(C(=O)CC[NH+](C)C)C2 ZINC001270062386 1187984167 /nfs/dbraw/zinc/98/41/67/1187984167.db2.gz YBYWZJHZRWXYAN-UHFFFAOYSA-N 2 0 364.494 0.617 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270102461 1188009667 /nfs/dbraw/zinc/00/96/67/1188009667.db2.gz MXNWNQOMBQFZQU-KRWDZBQOSA-N 2 0 364.534 0.977 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270155693 1188034020 /nfs/dbraw/zinc/03/40/20/1188034020.db2.gz QGHWOFRFFBQPGL-LPHOPBHVSA-N 2 0 359.474 0.998 20 0 FCADRP O=C(CCc1ncc[nH]1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075744334 1188060135 /nfs/dbraw/zinc/06/01/35/1188060135.db2.gz KRNYGOYDVXEDBI-RRFJBIMHSA-N 2 0 355.446 0.654 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000894788465 1188250932 /nfs/dbraw/zinc/25/09/32/1188250932.db2.gz QDYOIXUEXQGLRF-XYTVBORESA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101491 1188270210 /nfs/dbraw/zinc/27/02/10/1188270210.db2.gz HAJKPDTVPVOBIN-UMVBOHGHSA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC000983708718 1188277453 /nfs/dbraw/zinc/27/74/53/1188277453.db2.gz MTDIVOIOUYRXBR-UTGUJQJDSA-N 2 0 361.494 0.894 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC000983714349 1188281232 /nfs/dbraw/zinc/28/12/32/1188281232.db2.gz QGDPSPHNASPTLD-DARAHFNDSA-N 2 0 361.494 0.723 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000550381818 1188344174 /nfs/dbraw/zinc/34/41/74/1188344174.db2.gz IFYDRXLZHACLFR-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000550384051 1188344471 /nfs/dbraw/zinc/34/44/71/1188344471.db2.gz YEKSZCGGIXXIJY-QGZVFWFLSA-N 2 0 369.554 0.221 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCc4nccn4C3)CC2)CC[N@@H+]1C ZINC001299175719 1188396620 /nfs/dbraw/zinc/39/66/20/1188396620.db2.gz WGZWYGOPXXDQOP-RBSFLKMASA-N 2 0 359.474 0.551 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)n1 ZINC001075804140 1189394490 /nfs/dbraw/zinc/39/44/90/1189394490.db2.gz XPJSOJDWYKTQLU-XYJFISCASA-N 2 0 361.490 0.628 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1CCNC1=O ZINC001087574047 1189609365 /nfs/dbraw/zinc/60/93/65/1189609365.db2.gz PVCHZLUWAYBJCU-IXDOHACOSA-N 2 0 363.506 0.323 20 0 FCADRP Cc1nccn1CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984234888 1189662915 /nfs/dbraw/zinc/66/29/15/1189662915.db2.gz SIJLXEQYRMYFQU-HYVNUMGLSA-N 2 0 361.490 0.981 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000984263296 1189743839 /nfs/dbraw/zinc/74/38/39/1189743839.db2.gz XXJCTKOBVPIYFN-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001087799360 1189828943 /nfs/dbraw/zinc/82/89/43/1189828943.db2.gz QBRSLDHRNCFNLP-HRCADAONSA-N 2 0 358.490 0.830 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000984413969 1189840676 /nfs/dbraw/zinc/84/06/76/1189840676.db2.gz YIVPDNIDLXJDMW-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908572 1189893672 /nfs/dbraw/zinc/89/36/72/1189893672.db2.gz GNRBDHKNWBHWSV-HLLBOEOZSA-N 2 0 359.474 0.860 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964065 1190010439 /nfs/dbraw/zinc/01/04/39/1190010439.db2.gz UZIKYUJIGDFWRI-FGTMMUONSA-N 2 0 360.506 0.931 20 0 FCADRP CCn1nncc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971450 1190032392 /nfs/dbraw/zinc/03/23/92/1190032392.db2.gz AGKLICMQXMGBFK-XLMAVXFVSA-N 2 0 360.506 0.919 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971317 1190035942 /nfs/dbraw/zinc/03/59/42/1190035942.db2.gz RWZAUOORCAGKBQ-XLMAVXFVSA-N 2 0 362.518 0.728 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1)C1CC1 ZINC001088014495 1190216764 /nfs/dbraw/zinc/21/67/64/1190216764.db2.gz XCZREMIDXVDPPZ-RYRKJORJSA-N 2 0 362.518 0.872 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001271217320 1190361242 /nfs/dbraw/zinc/36/12/42/1190361242.db2.gz HXWMHUUQOJPGNQ-OXJNMPFZSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+]1CCC(C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)CC1 ZINC001271218463 1190362370 /nfs/dbraw/zinc/36/23/70/1190362370.db2.gz OSJICGUXIZABBD-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC1 ZINC001088090300 1190537496 /nfs/dbraw/zinc/53/74/96/1190537496.db2.gz HDYIVKYRANYYCP-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088130570 1190632711 /nfs/dbraw/zinc/63/27/11/1190632711.db2.gz VBMXRNZKLBMKQW-MSOLQXFVSA-N 2 0 360.506 0.790 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128073 1190899611 /nfs/dbraw/zinc/89/96/11/1190899611.db2.gz QXNPRZINFDZSHV-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)CCOCCN1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595142 1224116035 /nfs/dbraw/zinc/11/60/35/1224116035.db2.gz LQAGQFUWWUHZEG-RCCFBDPRSA-N 2 0 369.506 0.291 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)CC[C@@H]3C2)CC[N@@H+]1C ZINC000986191913 1190918019 /nfs/dbraw/zinc/91/80/19/1190918019.db2.gz ZRGZVFUSYTYYLY-ZJPYXAASSA-N 2 0 374.529 0.729 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1(C)C ZINC000262765888 1190926216 /nfs/dbraw/zinc/92/62/16/1190926216.db2.gz FYVNKYHMZMYGDD-KXBFYZLASA-N 2 0 368.522 0.532 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)CC1 ZINC000986340097 1190959893 /nfs/dbraw/zinc/95/98/93/1190959893.db2.gz SOQASSOUTLKGFS-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC000986523829 1191018106 /nfs/dbraw/zinc/01/81/06/1191018106.db2.gz RPHWLRNJNHNJPJ-VSZNYVQBSA-N 2 0 362.518 0.872 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NCCN3CCO[C@@H](C)C3)CC2)c1 ZINC000729605489 1191119600 /nfs/dbraw/zinc/11/96/00/1191119600.db2.gz KAHSNGOUUSXMJA-HNNXBMFYSA-N 2 0 363.462 0.643 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000151479331 1191167965 /nfs/dbraw/zinc/16/79/65/1191167965.db2.gz JZJJJXZYLSUDPT-UHFFFAOYSA-N 2 0 371.445 0.127 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC[N@@H+]1C ZINC000988388214 1191205743 /nfs/dbraw/zinc/20/57/43/1191205743.db2.gz MNJWXAPTPGCAKT-HYVNUMGLSA-N 2 0 361.490 0.989 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618897 1191208475 /nfs/dbraw/zinc/20/84/75/1191208475.db2.gz FMJROIADBQTQJD-DLBZAZTESA-N 2 0 366.506 0.794 20 0 FCADRP O=C(CCN1CC[NH2+]CC1)c1ccc2nc(OC[C@H]3C[NH2+]CCO3)oc2c1 ZINC001218179462 1224145484 /nfs/dbraw/zinc/14/54/84/1224145484.db2.gz RKXGCFWCRAYODT-OAHLLOKOSA-N 2 0 374.441 0.673 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262442 1224150639 /nfs/dbraw/zinc/15/06/39/1224150639.db2.gz LGUGWTCDMMCOEK-UHFFFAOYSA-N 2 0 364.446 0.672 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1)C(N)=O ZINC001218388962 1224157786 /nfs/dbraw/zinc/15/77/86/1224157786.db2.gz WCNYJPAXGBJOAS-ZCPGHIKRSA-N 2 0 362.474 0.312 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218510103 1224164965 /nfs/dbraw/zinc/16/49/65/1224164965.db2.gz ISOVUHBJOSIBBP-HNNXBMFYSA-N 2 0 363.462 0.552 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001691620768 1193807990 /nfs/dbraw/zinc/80/79/90/1193807990.db2.gz LBCAHQKTSRAZDT-HRCADAONSA-N 2 0 359.536 0.637 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000550901431 1193819525 /nfs/dbraw/zinc/81/95/25/1193819525.db2.gz HTVKGXUIDQZOTL-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000550986095 1193824500 /nfs/dbraw/zinc/82/45/00/1193824500.db2.gz MYRIUOQFXPMHOT-HOCLYGCPSA-N 2 0 364.490 0.971 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551075173 1193832062 /nfs/dbraw/zinc/83/20/62/1193832062.db2.gz SUBSCOMCCXZZKV-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCc1cn2c(n1)CCCC2)C(C)(C)C[NH+](C)C ZINC000551334795 1193850433 /nfs/dbraw/zinc/85/04/33/1193850433.db2.gz ZVSSBFSWJGXXEL-CQSZACIVSA-N 2 0 363.506 0.971 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ncccc1N1CCOCC1 ZINC000551962405 1193879437 /nfs/dbraw/zinc/87/94/37/1193879437.db2.gz UADMQVDLSZXAKU-UHFFFAOYSA-N 2 0 364.494 0.875 20 0 FCADRP CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2 ZINC001105666886 1193898712 /nfs/dbraw/zinc/89/87/12/1193898712.db2.gz KUMHBKWZXIBUJZ-JYBIWHBTSA-N 2 0 367.534 0.941 20 0 FCADRP CCN1CCN(C(=O)CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052608 1193899782 /nfs/dbraw/zinc/89/97/82/1193899782.db2.gz HGGHJXHUFCUBFL-JZXOWHBKSA-N 2 0 368.522 0.401 20 0 FCADRP CN1CCN(c2ncc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cn2)CC1 ZINC001218580575 1224176892 /nfs/dbraw/zinc/17/68/92/1224176892.db2.gz SBEANYRMWRBOFD-HNNXBMFYSA-N 2 0 359.478 0.041 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001075995058 1193952776 /nfs/dbraw/zinc/95/27/76/1193952776.db2.gz WLGXBBMKJCIEPB-BHYGNILZSA-N 2 0 353.426 0.711 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000552969372 1193962176 /nfs/dbraw/zinc/96/21/76/1193962176.db2.gz JIHHNIDBDHMKFU-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CCOC(=O)c1cnn2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc12 ZINC001218613962 1224182538 /nfs/dbraw/zinc/18/25/38/1224182538.db2.gz DNYHNRRGSLOPAK-HNNXBMFYSA-N 2 0 374.445 0.200 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735636 1194017323 /nfs/dbraw/zinc/01/73/23/1194017323.db2.gz WPIJLSGHECXZTF-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083506024 1194054815 /nfs/dbraw/zinc/05/48/15/1194054815.db2.gz MQILEBRVWMJIII-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000842188411 1194084650 /nfs/dbraw/zinc/08/46/50/1194084650.db2.gz FOLQBLSYJJKGOX-OXJNMPFZSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000842221416 1194105479 /nfs/dbraw/zinc/10/54/79/1194105479.db2.gz SETRPOGUVCQORX-UHFFFAOYSA-N 2 0 359.474 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765740 1194116712 /nfs/dbraw/zinc/11/67/12/1194116712.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 0 362.478 0.062 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792292 1194164545 /nfs/dbraw/zinc/16/45/45/1194164545.db2.gz RJOMSHIBVFALAW-JEWRLFTDSA-N 2 0 363.506 0.465 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001218696287 1224198128 /nfs/dbraw/zinc/19/81/28/1224198128.db2.gz QVPOHMFNQSOCIM-AEFFLSMTSA-N 2 0 372.517 0.965 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001218696290 1224198455 /nfs/dbraw/zinc/19/84/55/1224198455.db2.gz QVPOHMFNQSOCIM-WMZOPIPTSA-N 2 0 372.517 0.965 20 0 FCADRP COc1ccccc1-n1nccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218728293 1224205714 /nfs/dbraw/zinc/20/57/14/1224205714.db2.gz MRGKBEGIBMIEQW-AWEZNQCLSA-N 2 0 358.446 0.570 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001218726256 1224206459 /nfs/dbraw/zinc/20/64/59/1224206459.db2.gz DGXGVDYDXFLPBN-IAGOWNOFSA-N 2 0 359.474 0.835 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076086031 1194298596 /nfs/dbraw/zinc/29/85/96/1194298596.db2.gz LYFWAOBODPXZLM-RCCFBDPRSA-N 2 0 358.490 0.685 20 0 FCADRP NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)CNC1CC[NH2+]CC1 ZINC001218769462 1224215969 /nfs/dbraw/zinc/21/59/69/1224215969.db2.gz JFAPIXVYMQDZTQ-UHFFFAOYSA-N 2 0 374.470 0.445 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794784 1224214346 /nfs/dbraw/zinc/21/43/46/1224214346.db2.gz SHHIBQVJTQCSLE-DNVCBOLYSA-N 3 0 368.522 0.138 20 0 FCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)cn1 ZINC001076407660 1194452892 /nfs/dbraw/zinc/45/28/92/1194452892.db2.gz PNDBCDJLXXNMPK-FUHWJXTLSA-N 2 0 361.490 0.564 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001076398780 1194454716 /nfs/dbraw/zinc/45/47/16/1194454716.db2.gz FLXZCZVDJALADG-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076399100 1194456407 /nfs/dbraw/zinc/45/64/07/1194456407.db2.gz WDGFPRPJOZSRFM-HRCADAONSA-N 2 0 362.474 0.056 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467632 1194502617 /nfs/dbraw/zinc/50/26/17/1194502617.db2.gz PLJFUVIMSWNAMK-DLBZAZTESA-N 2 0 358.490 0.523 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567737 1194573827 /nfs/dbraw/zinc/57/38/27/1194573827.db2.gz HBDLYPLASRGNBF-RCCFBDPRSA-N 2 0 356.470 0.770 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795991 1224226741 /nfs/dbraw/zinc/22/67/41/1224226741.db2.gz SWVGXQLLFYMAFL-DNVCBOLYSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001218860598 1224241492 /nfs/dbraw/zinc/24/14/92/1224241492.db2.gz FWVXJWSBSYZLHL-CYBMUJFWSA-N 2 0 366.441 0.292 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879394 1224243961 /nfs/dbraw/zinc/24/39/61/1224243961.db2.gz BHRQCGRUPGEEJT-INIZCTEOSA-N 3 0 361.490 0.730 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882014 1224248320 /nfs/dbraw/zinc/24/83/20/1224248320.db2.gz KJQOJCFMXMNGQU-HUUCEWRRSA-N 2 0 374.441 0.069 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218879954 1224245341 /nfs/dbraw/zinc/24/53/41/1224245341.db2.gz NJWJLKUMOXALAP-KRWDZBQOSA-N 3 0 371.485 0.545 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001218880463 1224246323 /nfs/dbraw/zinc/24/63/23/1224246323.db2.gz YFYYDLWGYUTWNX-FOIQADDNSA-N 2 0 372.469 0.829 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563210 1195219557 /nfs/dbraw/zinc/21/95/57/1195219557.db2.gz DUBDMGGGVRYLEO-KURKYZTESA-N 2 0 365.518 0.840 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127872 1195242242 /nfs/dbraw/zinc/24/22/42/1195242242.db2.gz NBPNOEBZYRCDBO-GUDVDZBRSA-N 2 0 367.534 0.942 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127894 1195242548 /nfs/dbraw/zinc/24/25/48/1195242548.db2.gz OCEKKDKUEOCVFM-KBAYOESNSA-N 2 0 363.506 0.102 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cncn3C)[C@H]2C1 ZINC001218965438 1224273029 /nfs/dbraw/zinc/27/30/29/1224273029.db2.gz KJMJUEIHKCJKAB-ZWKOTPCHSA-N 2 0 364.490 0.937 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CCC1 ZINC001218969992 1224275670 /nfs/dbraw/zinc/27/56/70/1224275670.db2.gz AMXVLHSGBIBNIJ-RCCFBDPRSA-N 2 0 369.506 0.291 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CCC1 ZINC001077308670 1195410113 /nfs/dbraw/zinc/41/01/13/1195410113.db2.gz GFKYZAUOIFMJKW-KURKYZTESA-N 2 0 358.442 0.924 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CCC1 ZINC001077395976 1195493524 /nfs/dbraw/zinc/49/35/24/1195493524.db2.gz ICIFDBTYKYHTKP-KURKYZTESA-N 2 0 358.442 0.924 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418011 1195516835 /nfs/dbraw/zinc/51/68/35/1195516835.db2.gz GHNFMFDJAGGLPW-KJBWJIBOSA-N 2 0 371.481 0.254 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418321 1195517611 /nfs/dbraw/zinc/51/76/11/1195517611.db2.gz NMGIWSZROYZVOA-AAGJERLFSA-N 2 0 371.428 0.056 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)cc2C1 ZINC000904509196 1195540129 /nfs/dbraw/zinc/54/01/29/1195540129.db2.gz DORPBMVIYTWPEA-OLMNPRSZSA-N 2 0 359.474 0.961 20 0 FCADRP O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221654 1195617575 /nfs/dbraw/zinc/61/75/75/1195617575.db2.gz XHLBEBHTUTZNGV-DLBZAZTESA-N 2 0 361.490 0.721 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000906402038 1195628085 /nfs/dbraw/zinc/62/80/85/1195628085.db2.gz SKVBWDGUDIAXMW-UHFFFAOYSA-N 2 0 359.518 0.866 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000906678060 1195644647 /nfs/dbraw/zinc/64/46/47/1195644647.db2.gz JWSVGBSAKXOBIP-INIZCTEOSA-N 2 0 360.458 0.797 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000906658648 1195645917 /nfs/dbraw/zinc/64/59/17/1195645917.db2.gz MCUDUZPZFWLDNK-MAUKXSAKSA-N 2 0 373.501 0.568 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000906658649 1195646318 /nfs/dbraw/zinc/64/63/18/1195646318.db2.gz MCUDUZPZFWLDNK-QAPCUYQASA-N 2 0 373.501 0.568 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000907354962 1195691158 /nfs/dbraw/zinc/69/11/58/1195691158.db2.gz MXQLXLDBBQTBSX-UHFFFAOYSA-N 2 0 365.566 0.356 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630763 1195802569 /nfs/dbraw/zinc/80/25/69/1195802569.db2.gz MMVTZMGDXXEZQB-OLMNPRSZSA-N 2 0 371.441 0.469 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000910830777 1195851003 /nfs/dbraw/zinc/85/10/03/1195851003.db2.gz UJNICFJZKDRWNQ-IAGOWNOFSA-N 2 0 373.501 0.919 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000910830779 1195851056 /nfs/dbraw/zinc/85/10/56/1195851056.db2.gz UJNICFJZKDRWNQ-SJORKVTESA-N 2 0 373.501 0.919 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(OC2CCOCC2)cc1 ZINC001219035516 1224308398 /nfs/dbraw/zinc/30/83/98/1224308398.db2.gz CBTJRFOXTDSUHW-GOSISDBHSA-N 2 0 362.474 0.933 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[NH+](C)C)c1 ZINC000910963116 1195869407 /nfs/dbraw/zinc/86/94/07/1195869407.db2.gz QGKVVEKBCHHGKZ-PBHICJAKSA-N 2 0 362.474 0.611 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911041897 1195882754 /nfs/dbraw/zinc/88/27/54/1195882754.db2.gz YCJZWFULCHRROU-KRWDZBQOSA-N 2 0 368.522 0.640 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000911092755 1195887761 /nfs/dbraw/zinc/88/77/61/1195887761.db2.gz VCMHPHKJYPZXFQ-OALUTQOASA-N 2 0 372.513 0.865 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911103807 1195890736 /nfs/dbraw/zinc/89/07/36/1195890736.db2.gz YUASMRWFYNKRHV-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000911145066 1195897476 /nfs/dbraw/zinc/89/74/76/1195897476.db2.gz GYXYBMVWKLHNRD-GOSISDBHSA-N 2 0 373.501 0.811 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000911166058 1195903093 /nfs/dbraw/zinc/90/30/93/1195903093.db2.gz UDVDWCZNGREINA-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000911243348 1195921937 /nfs/dbraw/zinc/92/19/37/1195921937.db2.gz OKSGBNLQEPARBX-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000911401805 1195954030 /nfs/dbraw/zinc/95/40/30/1195954030.db2.gz CHYHNCAQVPZKAV-KRWDZBQOSA-N 2 0 359.474 0.754 20 0 FCADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1=O ZINC000911634895 1196305976 /nfs/dbraw/zinc/30/59/76/1196305976.db2.gz FMIFXSLXHYNLIF-GOSISDBHSA-N 2 0 358.486 0.918 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654947 1196350414 /nfs/dbraw/zinc/35/04/14/1196350414.db2.gz NMGIWSZROYZVOA-VNPHFLKHSA-N 2 0 371.428 0.056 20 0 FCADRP NC(=O)C1CCN(c2ccccc2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001219088507 1224348597 /nfs/dbraw/zinc/34/85/97/1224348597.db2.gz XEGHWJLWLIFGTD-FOIQADDNSA-N 2 0 371.485 0.526 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592560408 1196569524 /nfs/dbraw/zinc/56/95/24/1196569524.db2.gz NHENSYYKDJHGBW-IRXDYDNUSA-N 2 0 374.533 0.961 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)c21 ZINC000592959597 1196600169 /nfs/dbraw/zinc/60/01/69/1196600169.db2.gz NEHIYLWSLUGUDD-INIZCTEOSA-N 2 0 361.490 0.904 20 0 FCADRP O=C(Nc1cc(F)ccc1OCC1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219130977 1224362893 /nfs/dbraw/zinc/36/28/93/1224362893.db2.gz WEAVZFPKNAXWDI-HNNXBMFYSA-N 3 0 362.449 0.952 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001105945080 1196749021 /nfs/dbraw/zinc/74/90/21/1196749021.db2.gz KGMUQXTUCLKTAQ-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)on1 ZINC001105945338 1196749935 /nfs/dbraw/zinc/74/99/35/1196749935.db2.gz UAVSOUZMNPLJDR-YUELXQCFSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CC(=O)N1CCC(C)CC1 ZINC001088983402 1196856250 /nfs/dbraw/zinc/85/62/50/1196856250.db2.gz VERPIXKGWZTPJF-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2cnn(C)c2)O1 ZINC001089191355 1197019427 /nfs/dbraw/zinc/01/94/27/1197019427.db2.gz AMNXJKLARUURJW-BPQIPLTHSA-N 2 0 363.506 0.952 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106120446 1197041135 /nfs/dbraw/zinc/04/11/35/1197041135.db2.gz VRHNOUABCHKCPB-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP COC(=O)c1c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccc2c1OC[C@@H]1C[C@H]21 ZINC001219217628 1224391101 /nfs/dbraw/zinc/39/11/01/1224391101.db2.gz NMJZHEXMKBEBSM-DRZSPHRISA-N 2 0 357.410 0.717 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106142975 1197291025 /nfs/dbraw/zinc/29/10/25/1197291025.db2.gz IALZMPQCOCVDNI-OIISXLGYSA-N 2 0 363.506 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106142971 1197291553 /nfs/dbraw/zinc/29/15/53/1197291553.db2.gz HRFFOGBXMHTSDN-LZQZEXGQSA-N 2 0 359.518 0.989 20 0 FCADRP [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001219291102 1224416524 /nfs/dbraw/zinc/41/65/24/1224416524.db2.gz RPFORFVWZARGCG-MRXNPFEDSA-N 2 0 361.421 0.170 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1)[NH+](C)C ZINC000992838872 1197544384 /nfs/dbraw/zinc/54/43/84/1197544384.db2.gz BAWMPORHUQQHMP-YZVOILCLSA-N 2 0 361.490 0.989 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106198862 1197665918 /nfs/dbraw/zinc/66/59/18/1197665918.db2.gz QKILGNBJKQCPPI-OIISXLGYSA-N 2 0 370.513 0.877 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)CCC1 ZINC000993026107 1197692069 /nfs/dbraw/zinc/69/20/69/1197692069.db2.gz CWQQJXATMBTGQU-APWZRJJASA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276228 1197742811 /nfs/dbraw/zinc/74/28/11/1197742811.db2.gz WWAKLSDKFOFKQY-SJLPKXTDSA-N 2 0 367.538 0.565 20 0 FCADRP COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000734277097 1197743270 /nfs/dbraw/zinc/74/32/70/1197743270.db2.gz XSEZHLOQMZZRJJ-HUUCEWRRSA-N 2 0 367.494 0.685 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273317952 1197808617 /nfs/dbraw/zinc/80/86/17/1197808617.db2.gz YNOIBRFPGOFFST-MVJTYMMSSA-N 2 0 362.518 0.776 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106272097 1197811907 /nfs/dbraw/zinc/81/19/07/1197811907.db2.gz ROMVFNITHLZSLC-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085331801 1197824236 /nfs/dbraw/zinc/82/42/36/1197824236.db2.gz AJLWALFBCOPVBA-BZUAXINKSA-N 2 0 364.490 0.494 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281874 1197826143 /nfs/dbraw/zinc/82/61/43/1197826143.db2.gz ILUCOVWBRMQXLP-NUJGCVRESA-N 2 0 370.538 0.409 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001085352855 1197840459 /nfs/dbraw/zinc/84/04/59/1197840459.db2.gz AQIZQEHUWPAUJS-OAGGEKHMSA-N 2 0 364.490 0.541 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589170 1197863951 /nfs/dbraw/zinc/86/39/51/1197863951.db2.gz FMIKSSSTCDCNHJ-LSDHHAIUSA-N 2 0 370.413 0.185 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106339807 1197869970 /nfs/dbraw/zinc/86/99/70/1197869970.db2.gz BBUZUVHWPFDAOY-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106371168 1197882929 /nfs/dbraw/zinc/88/29/29/1197882929.db2.gz VECJIBQYJHGOCB-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106412650 1197908227 /nfs/dbraw/zinc/90/82/27/1197908227.db2.gz RRUDUDLKHYARQQ-RBSFLKMASA-N 2 0 370.457 0.700 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106412139 1197908633 /nfs/dbraw/zinc/90/86/33/1197908633.db2.gz HSMQZQXADUIUAL-HUUCEWRRSA-N 2 0 370.457 0.701 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2(C(=O)N3CC[C@H](C[NH+](C)C)C3)CCC2)C1 ZINC000762217500 1197946157 /nfs/dbraw/zinc/94/61/57/1197946157.db2.gz ARJGTHZKFKSWQJ-CALCHBBNSA-N 2 0 364.534 0.977 20 0 FCADRP CC1(C)COC(c2ccccc2NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)=N1 ZINC001219385960 1224449362 /nfs/dbraw/zinc/44/93/62/1224449362.db2.gz ADHJIGMHCNYWAT-OAHLLOKOSA-N 2 0 359.474 0.931 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1)c1nnnn1C ZINC001086202425 1198253496 /nfs/dbraw/zinc/25/34/96/1198253496.db2.gz YOTDPYMGGIOJCS-ODXJTPSBSA-N 2 0 358.450 0.293 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273413899 1198267922 /nfs/dbraw/zinc/26/79/22/1198267922.db2.gz VEHOEXJDPWUSIM-IBGZPJMESA-N 2 0 368.522 0.500 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@@H](F)C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500507 1224489064 /nfs/dbraw/zinc/48/90/64/1224489064.db2.gz CHZNHSBFICCUHB-LDLUMPKVSA-N 2 0 362.405 0.765 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501226 1224489235 /nfs/dbraw/zinc/48/92/35/1224489235.db2.gz RRQZPPBDCQCCTD-MWJQBAMBSA-N 2 0 362.405 0.907 20 0 FCADRP COc1cc2c(cc1NC(=O)C1CC3(C[NH2+]C3)C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501264 1224489392 /nfs/dbraw/zinc/48/93/92/1224489392.db2.gz SLEYWRKVAYQQPJ-LJQANCHMSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503144 1224490029 /nfs/dbraw/zinc/49/00/29/1224490029.db2.gz BXEGAYCTIIXBNH-MYFIVHGGSA-N 2 0 362.405 0.765 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc4nc([C@H]5CC[NH2+]C5)nn4c3)n2)c1 ZINC001168882875 1199039507 /nfs/dbraw/zinc/03/95/07/1199039507.db2.gz ACNCTTVUQREIGX-AWEZNQCLSA-N 2 0 361.413 0.908 20 0 FCADRP [NH3+]Cc1cnnn1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001169312378 1199061136 /nfs/dbraw/zinc/06/11/36/1199061136.db2.gz VZLBSOVIRKKJLJ-UHFFFAOYSA-N 2 0 355.446 0.821 20 0 FCADRP CCOC(=O)C1(Nc2cncc(N3CCC([NH3+])CC3)n2)CC[NH+](C)CC1 ZINC001169491781 1199070761 /nfs/dbraw/zinc/07/07/61/1199070761.db2.gz IZMKFKRKTBDGFF-UHFFFAOYSA-N 2 0 362.478 0.844 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370736 1199132191 /nfs/dbraw/zinc/13/21/91/1199132191.db2.gz ZPJKXVHFAPDCTI-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219620194 1224530971 /nfs/dbraw/zinc/53/09/71/1224530971.db2.gz XWWSNVIRMGNBEI-RVKKMQEKSA-N 2 0 367.421 0.016 20 0 FCADRP COc1ccc(C2(C(=O)NC[C@]3(O)CC[NH2+]C[C@@H]3F)CC[NH2+]CC2)cc1 ZINC001219621765 1224532224 /nfs/dbraw/zinc/53/22/24/1224532224.db2.gz HCKGCVPMXBYGQW-QFBILLFUSA-N 2 0 365.449 0.495 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635725 1224539696 /nfs/dbraw/zinc/53/96/96/1224539696.db2.gz OXSCGNLCDCWXIA-NXOAAHMSSA-N 2 0 362.449 0.364 20 0 FCADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219705441 1224566086 /nfs/dbraw/zinc/56/60/86/1224566086.db2.gz JAHLEIDEURKIEH-ROUUACIJSA-N 2 0 356.470 0.692 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722693 1224575464 /nfs/dbraw/zinc/57/54/64/1224575464.db2.gz DPQKRPHJJFRZNA-MSOLQXFVSA-N 3 0 360.502 0.314 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219726978 1224579657 /nfs/dbraw/zinc/57/96/57/1224579657.db2.gz TTZSLCUABTWABX-QYZOEREBSA-N 3 0 372.513 0.185 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219741631 1224587331 /nfs/dbraw/zinc/58/73/31/1224587331.db2.gz PPLAHURPBYAQPI-CVEARBPZSA-N 2 0 373.501 0.552 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219744086 1224588961 /nfs/dbraw/zinc/58/89/61/1224588961.db2.gz RSSOLSCTMSZEFZ-PMPSAXMXSA-N 2 0 364.490 0.147 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743326 1224589410 /nfs/dbraw/zinc/58/94/10/1224589410.db2.gz BWVUSWHXWKAADB-SJORKVTESA-N 2 0 374.485 0.090 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219745739 1224591072 /nfs/dbraw/zinc/59/10/72/1224591072.db2.gz AMLXLQCPGSAHIG-HUUCEWRRSA-N 2 0 360.458 0.853 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129386155 1200110003 /nfs/dbraw/zinc/11/00/03/1200110003.db2.gz ZBIMTBLBXCKJTE-CVEARBPZSA-N 2 0 370.473 0.338 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC21CC[NH2+]CC1 ZINC001219753403 1224595787 /nfs/dbraw/zinc/59/57/87/1224595787.db2.gz HHGPXJFMOAVUFO-QZTJIDSGSA-N 2 0 370.497 0.508 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001109402264 1200250402 /nfs/dbraw/zinc/25/04/02/1200250402.db2.gz LHNHCODTVOAJAB-DFEOGRTESA-N 2 0 358.486 0.947 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001109651035 1200443480 /nfs/dbraw/zinc/44/34/80/1200443480.db2.gz FXVAPLWYBLQJCP-QZWWFDLISA-N 2 0 361.490 0.307 20 0 FCADRP CN(C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2)C1CC1 ZINC001109847679 1200560107 /nfs/dbraw/zinc/56/01/07/1200560107.db2.gz BYEXEBOWAVUHQX-IKGGRYGDSA-N 2 0 364.490 0.051 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)c2ccco2)CC1 ZINC001219801405 1224620915 /nfs/dbraw/zinc/62/09/15/1224620915.db2.gz ZEMGGOZRWLGGOW-YOEHRIQHSA-N 2 0 362.474 0.629 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CCC1 ZINC001219802477 1224621692 /nfs/dbraw/zinc/62/16/92/1224621692.db2.gz PSGFBZDLKLCGPI-KSZLIROESA-N 2 0 361.486 0.236 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803562 1224623228 /nfs/dbraw/zinc/62/32/28/1224623228.db2.gz XIQNCFQSYPFRTL-NVXWUHKLSA-N 2 0 354.454 0.989 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109980158 1200664462 /nfs/dbraw/zinc/66/44/62/1200664462.db2.gz KGUBBVZSMTUVGN-WCVJEAGWSA-N 2 0 362.478 0.065 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NCc1noc2c1C[NH2+]CC2 ZINC001219809667 1224628488 /nfs/dbraw/zinc/62/84/88/1224628488.db2.gz PTGZEMOPJHOUIU-INIZCTEOSA-N 2 0 369.469 0.801 20 0 FCADRP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001112561020 1200793987 /nfs/dbraw/zinc/79/39/87/1200793987.db2.gz CRRQVBXJLWMBQH-PXNSSMCTSA-N 2 0 362.518 0.812 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112565816 1200799741 /nfs/dbraw/zinc/79/97/41/1200799741.db2.gz UGVAOIIKJKHCIF-KSSFIOAISA-N 2 0 367.494 0.132 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)C(=O)NC1CC1 ZINC001112578812 1200817658 /nfs/dbraw/zinc/81/76/58/1200817658.db2.gz ILOIHRRDIDCVGN-GUXCAODWSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112586247 1200822271 /nfs/dbraw/zinc/82/22/71/1200822271.db2.gz PEGHHGTZKGMJGD-MPGHIAIKSA-N 2 0 363.510 0.830 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000786330041 1200834513 /nfs/dbraw/zinc/83/45/13/1200834513.db2.gz BCRWVKZLKLLAQR-IRXDYDNUSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000786330039 1200834999 /nfs/dbraw/zinc/83/49/99/1200834999.db2.gz BCRWVKZLKLLAQR-DLBZAZTESA-N 2 0 366.506 0.202 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831768 1224644271 /nfs/dbraw/zinc/64/42/71/1224644271.db2.gz XNFDKIBJKMQBBI-BQUDOFGOSA-N 2 0 356.426 0.043 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837093 1224646917 /nfs/dbraw/zinc/64/69/17/1224646917.db2.gz HRDGSVDYLUXURY-MNEFBYGVSA-N 2 0 365.449 0.597 20 0 FCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nnnn1C ZINC000790263673 1201064017 /nfs/dbraw/zinc/06/40/17/1201064017.db2.gz AWYQNZPBJIDCJP-CQSZACIVSA-N 2 0 373.465 0.178 20 0 FCADRP COc1ccc(C2(C(=O)N[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)CC[NH2+]CC2)cc1 ZINC001219847378 1224651010 /nfs/dbraw/zinc/65/10/10/1224651010.db2.gz FNIDJWDTPBWLBY-OKZBNKHCSA-N 2 0 359.470 0.952 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219852503 1224654662 /nfs/dbraw/zinc/65/46/62/1224654662.db2.gz SZTGJXNMLCYHCZ-WWWUOXLMSA-N 2 0 370.497 0.453 20 0 FCADRP CC(C)C[C@@H](C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O)n1ccnc1 ZINC001219853331 1224655362 /nfs/dbraw/zinc/65/53/62/1224655362.db2.gz PZXLHYJBRCSUPO-IKGGRYGDSA-N 2 0 360.462 0.528 20 0 FCADRP CN(C(=O)C(=O)Nc1cccc(F)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793046326 1201223476 /nfs/dbraw/zinc/22/34/76/1201223476.db2.gz HTNMHLOGSWDVBF-CQSZACIVSA-N 2 0 363.437 0.786 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CC1 ZINC001219866925 1224661884 /nfs/dbraw/zinc/66/18/84/1224661884.db2.gz FDTNNRFSCGCPRX-SQNIBIBYSA-N 2 0 365.518 0.839 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400526 1201306591 /nfs/dbraw/zinc/30/65/91/1201306591.db2.gz RJBPFXWAFVOXMZ-ZACQAIPSSA-N 2 0 366.510 0.513 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624190 1201360088 /nfs/dbraw/zinc/36/00/88/1201360088.db2.gz RPRDCFSMLIMFKI-GBESFXJTSA-N 2 0 368.485 0.814 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925255 1201444218 /nfs/dbraw/zinc/44/42/18/1201444218.db2.gz WULBYSOTGGOOGM-XHSDSOJGSA-N 2 0 362.478 0.283 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130006144 1201476435 /nfs/dbraw/zinc/47/64/35/1201476435.db2.gz VEUWQXLIYHXIRV-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130028645 1201480247 /nfs/dbraw/zinc/48/02/47/1201480247.db2.gz ZBBZNEGITFZWHI-OIISXLGYSA-N 2 0 364.494 0.386 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130084079 1201494138 /nfs/dbraw/zinc/49/41/38/1201494138.db2.gz YRAMGCDMSMZDGX-SJORKVTESA-N 2 0 366.510 0.514 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091504 1201497964 /nfs/dbraw/zinc/49/79/64/1201497964.db2.gz XIOPOFVFWLSPGT-CVEARBPZSA-N 2 0 362.478 0.140 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130106984 1201502232 /nfs/dbraw/zinc/50/22/32/1201502232.db2.gz BXXNKUWFCGIPAJ-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125518 1201506478 /nfs/dbraw/zinc/50/64/78/1201506478.db2.gz ROPMAGDRLKBQLH-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130125141 1201506560 /nfs/dbraw/zinc/50/65/60/1201506560.db2.gz AHXPDKBPXQDKEL-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC[N@@H+]1C ZINC001130213046 1201545326 /nfs/dbraw/zinc/54/53/26/1201545326.db2.gz QWUAAQZWPQAWJP-MQYQWHSLSA-N 2 0 368.457 0.193 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)C[NH+](CC)CC)[nH]1 ZINC001130220921 1201550980 /nfs/dbraw/zinc/55/09/80/1201550980.db2.gz QSBCEOZRNKISKW-MJBXVCDLSA-N 2 0 370.473 0.583 20 0 FCADRP CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234582 1201558291 /nfs/dbraw/zinc/55/82/91/1201558291.db2.gz BQCDMSULEYAVAZ-KKUMJFAQSA-N 2 0 366.510 0.881 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1)[NH+](C)C ZINC001130238063 1201562215 /nfs/dbraw/zinc/56/22/15/1201562215.db2.gz REEUHMHARJRNFG-KKUMJFAQSA-N 2 0 364.494 0.633 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130246685 1201566322 /nfs/dbraw/zinc/56/63/22/1201566322.db2.gz MUFIZZSTUDJKIL-ILXRZTDVSA-N 2 0 364.494 0.633 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931677 1224687732 /nfs/dbraw/zinc/68/77/32/1224687732.db2.gz WQWSEFQRQCMSTK-INIZCTEOSA-N 2 0 361.490 0.654 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219981228 1224712392 /nfs/dbraw/zinc/71/23/92/1224712392.db2.gz ZXDHCBVOLBBVHC-IKGGRYGDSA-N 3 0 367.538 0.282 20 0 FCADRP COC(=O)C1(NC(=O)C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[NH2+]CC1 ZINC001220001080 1224723363 /nfs/dbraw/zinc/72/33/63/1224723363.db2.gz GYUIIMSAEYILSC-AWEZNQCLSA-N 2 0 358.442 0.839 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)n3cnc(C[NH3+])cc3=N)cc(=O)oc2c1 ZINC001220020762 1224729601 /nfs/dbraw/zinc/72/96/01/1224729601.db2.gz VASOZMYSLRPXCZ-AWEZNQCLSA-N 2 0 369.381 0.146 20 0 FCADRP CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033474 1224733114 /nfs/dbraw/zinc/73/31/14/1224733114.db2.gz CZBCCVNERCPXIO-LXJOXGFSSA-N 2 0 365.518 0.837 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1ccc2c(c1)COC(C)(C)O2 ZINC001220043353 1224735812 /nfs/dbraw/zinc/73/58/12/1224735812.db2.gz OMHWJSDCKQFGPH-HNNXBMFYSA-N 2 0 371.441 0.985 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614896 1202731380 /nfs/dbraw/zinc/73/13/80/1202731380.db2.gz GOXPZMHMCNZAJD-JQHSSLGASA-N 2 0 363.506 0.825 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130607445 1202733907 /nfs/dbraw/zinc/73/39/07/1202733907.db2.gz BBCNYBJZXQMNLG-CGTJXYLNSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2[NH2+]CCCO)c1 ZINC001130628148 1202736232 /nfs/dbraw/zinc/73/62/32/1202736232.db2.gz ATXOWURYGULUQE-FUHWJXTLSA-N 2 0 368.441 0.648 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001130670294 1202751664 /nfs/dbraw/zinc/75/16/64/1202751664.db2.gz WFFQDZFCSURCCS-FUHWJXTLSA-N 2 0 356.474 0.851 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672518 1202752377 /nfs/dbraw/zinc/75/23/77/1202752377.db2.gz RCDASSTXBCBVOI-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130695276 1202757345 /nfs/dbraw/zinc/75/73/45/1202757345.db2.gz KVUYHCIQTQWJGJ-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712846 1202759770 /nfs/dbraw/zinc/75/97/70/1202759770.db2.gz OPEGJQHTYBSTMJ-FUHWJXTLSA-N 2 0 363.506 0.849 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130734618 1202768733 /nfs/dbraw/zinc/76/87/33/1202768733.db2.gz VZAHCQKTNHKVNW-FUHWJXTLSA-N 2 0 363.506 0.827 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000806814088 1202776987 /nfs/dbraw/zinc/77/69/87/1202776987.db2.gz IZRUFWJFJTWSPF-QGZVFWFLSA-N 2 0 368.522 0.728 20 0 FCADRP C[N@H+](CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)C1CCC1 ZINC001130790191 1202798649 /nfs/dbraw/zinc/79/86/49/1202798649.db2.gz LZQKTEUXXODVMC-UONOGXRCSA-N 2 0 368.457 0.684 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130944104 1202827360 /nfs/dbraw/zinc/82/73/60/1202827360.db2.gz VHABMSZJEQSPFS-BRWVUGGUSA-N 2 0 363.506 0.823 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994299 1202838455 /nfs/dbraw/zinc/83/84/55/1202838455.db2.gz RTVRTSMXQDILGT-GVDBMIGSSA-N 2 0 361.490 0.292 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055653 1202854914 /nfs/dbraw/zinc/85/49/14/1202854914.db2.gz GPJIBAVZGNLFEC-ARFHVFGLSA-N 2 0 363.506 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131091662 1202861375 /nfs/dbraw/zinc/86/13/75/1202861375.db2.gz ODKZUXMBGUDGMV-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108060 1202864194 /nfs/dbraw/zinc/86/41/94/1202864194.db2.gz IATPNBQVUYCODN-HZPDHXFCSA-N 2 0 361.490 0.436 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC1CCC1 ZINC001131108083 1202864224 /nfs/dbraw/zinc/86/42/24/1202864224.db2.gz ITVXFIWSUQBPDN-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808220605 1202876788 /nfs/dbraw/zinc/87/67/88/1202876788.db2.gz KLXSOJZWYOSKGR-GOSISDBHSA-N 2 0 360.502 0.772 20 0 FCADRP Cn1nccc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555555 1202913484 /nfs/dbraw/zinc/91/34/84/1202913484.db2.gz LDQNPEANEVKSBS-MJGOQNOKSA-N 2 0 363.506 0.858 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001131561966 1202914442 /nfs/dbraw/zinc/91/44/42/1202914442.db2.gz HSJSYEXGVLYYMC-OGWOLHLISA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131604670 1202918438 /nfs/dbraw/zinc/91/84/38/1202918438.db2.gz AZPYJWGHJAJLBN-NUJGCVRESA-N 2 0 366.506 0.060 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131596930 1202919050 /nfs/dbraw/zinc/91/90/50/1202919050.db2.gz BKOGNWANHARWFX-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962806 1202938396 /nfs/dbraw/zinc/93/83/96/1202938396.db2.gz KQXPZZDQTRPOPB-LPHOPBHVSA-N 2 0 370.538 0.974 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001086731427 1203052158 /nfs/dbraw/zinc/05/21/58/1203052158.db2.gz LAOJUWRBSWVXLH-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001086793667 1203095274 /nfs/dbraw/zinc/09/52/74/1203095274.db2.gz FZRNVIBADWFUSW-GOEBONIOSA-N 2 0 364.490 0.352 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170874167 1203109495 /nfs/dbraw/zinc/10/94/95/1203109495.db2.gz PIZZXQFWPWLSNP-OWCLPIDISA-N 2 0 358.442 0.400 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001170877749 1203115181 /nfs/dbraw/zinc/11/51/81/1203115181.db2.gz GQFZZTHFJXXTQK-QLFBSQMISA-N 2 0 366.510 0.603 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817926918 1203124505 /nfs/dbraw/zinc/12/45/05/1203124505.db2.gz WRIMCHUZTMGIGC-GOSISDBHSA-N 2 0 360.502 0.830 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC001170901031 1203137719 /nfs/dbraw/zinc/13/77/19/1203137719.db2.gz UGWWNZKNNJYSFT-GOSISDBHSA-N 2 0 369.462 0.943 20 0 FCADRP COCC(C)(C)[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000819894746 1203173227 /nfs/dbraw/zinc/17/32/27/1203173227.db2.gz AWIQYWRNHOAXIG-IBGZPJMESA-N 2 0 366.506 0.903 20 0 FCADRP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)C1([NH3+])CC1 ZINC001220117211 1224775284 /nfs/dbraw/zinc/77/52/84/1224775284.db2.gz CINKMDOPOIWBMC-UHFFFAOYSA-N 2 0 353.386 0.408 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c1 ZINC001220120585 1224777492 /nfs/dbraw/zinc/77/74/92/1224777492.db2.gz IIZUXYHNUBAGPW-UGSOOPFHSA-N 2 0 359.430 0.350 20 0 FCADRP O=C([C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001143671071 1203323528 /nfs/dbraw/zinc/32/35/28/1203323528.db2.gz QCSIASKCUHOFOQ-AABGKKOBSA-N 2 0 373.497 0.945 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158873 1224791131 /nfs/dbraw/zinc/79/11/31/1224791131.db2.gz JGMZYSGCUSDIKK-YZVOILCLSA-N 2 0 374.489 0.352 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254617 1224815307 /nfs/dbraw/zinc/81/53/07/1224815307.db2.gz SUOZDVJUTVYJHG-PMPSAXMXSA-N 2 0 368.522 0.720 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844223114 1204379758 /nfs/dbraw/zinc/37/97/58/1204379758.db2.gz RAPHQNFWVDMXSR-MRXNPFEDSA-N 2 0 358.490 0.589 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315862 1224826785 /nfs/dbraw/zinc/82/67/85/1224826785.db2.gz JOCITXYENPPDPZ-QKLQHJQFSA-N 2 0 360.502 0.909 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316268 1224826886 /nfs/dbraw/zinc/82/68/86/1224826886.db2.gz NRICIRYDGGWBGX-MDYRTPRTSA-N 2 0 370.453 0.577 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315645 1224827159 /nfs/dbraw/zinc/82/71/59/1224827159.db2.gz GJFNLUCFKHMBEU-DYXWJJEUSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220321456 1224827698 /nfs/dbraw/zinc/82/76/98/1224827698.db2.gz UHSQOPXOTUWTTL-OVQGTLEDSA-N 2 0 370.497 0.740 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC001220345674 1224836612 /nfs/dbraw/zinc/83/66/12/1224836612.db2.gz LOUIHPOVQHIDIO-CYBMUJFWSA-N 2 0 371.478 0.579 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220351219 1224838800 /nfs/dbraw/zinc/83/88/00/1224838800.db2.gz WNLQGJWWHAKVTK-ULQDDVLXSA-N 3 0 362.474 0.628 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353241 1224839774 /nfs/dbraw/zinc/83/97/74/1224839774.db2.gz HQNWBCMWVBRZNM-QZTJIDSGSA-N 2 0 374.485 0.467 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354217 1224840018 /nfs/dbraw/zinc/84/00/18/1224840018.db2.gz OXLAGCJZXCPTHJ-OWCLPIDISA-N 2 0 363.458 0.660 20 0 FCADRP O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCN1 ZINC001220356838 1224840877 /nfs/dbraw/zinc/84/08/77/1224840877.db2.gz FMRDAMPTYXDBDY-BBWFWOEESA-N 2 0 360.458 0.123 20 0 FCADRP O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCN1 ZINC001220356840 1224841690 /nfs/dbraw/zinc/84/16/90/1224841690.db2.gz FMRDAMPTYXDBDY-GVDBMIGSSA-N 2 0 360.458 0.123 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359714 1224843667 /nfs/dbraw/zinc/84/36/67/1224843667.db2.gz VSNLHBZNUFQJTN-ZACQAIPSSA-N 2 0 369.506 0.075 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543132 1204707716 /nfs/dbraw/zinc/70/77/16/1204707716.db2.gz CVYNRRRLOSOEAO-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091677229 1204817867 /nfs/dbraw/zinc/81/78/67/1204817867.db2.gz NDAGYFYUDSIFKH-AOIWGVFYSA-N 2 0 358.490 0.400 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091683387 1204821065 /nfs/dbraw/zinc/82/10/65/1204821065.db2.gz OHQNKADIDNMYCH-YVTWGWGSSA-N 2 0 362.518 0.728 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738459 1204837636 /nfs/dbraw/zinc/83/76/36/1204837636.db2.gz YXPUHHZOVMRLES-POAQFYNOSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1cnnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754177 1204844170 /nfs/dbraw/zinc/84/41/70/1204844170.db2.gz HMJAATYXUCZJGS-MDZRGWNJSA-N 2 0 360.506 0.970 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452782 1204849956 /nfs/dbraw/zinc/84/99/56/1204849956.db2.gz BHFZAXFOSPAJAK-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001086855303 1204850573 /nfs/dbraw/zinc/85/05/73/1204850573.db2.gz RKIIGCGAVAGBAA-UONOGXRCSA-N 2 0 357.462 0.964 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273454065 1204850855 /nfs/dbraw/zinc/85/08/55/1204850855.db2.gz MAVVULSNDGSDQX-CFVWQIKISA-N 2 0 362.518 0.679 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)C1 ZINC001086875356 1204858628 /nfs/dbraw/zinc/85/86/28/1204858628.db2.gz PJSLIZKEVRHUBI-MELADBBJSA-N 2 0 370.448 0.869 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087000703 1204889427 /nfs/dbraw/zinc/88/94/27/1204889427.db2.gz KZLWUANLZOPKCK-RCCFBDPRSA-N 2 0 363.506 0.559 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087010475 1204897707 /nfs/dbraw/zinc/89/77/07/1204897707.db2.gz CHMKTPFFNRALHB-BPQIPLTHSA-N 2 0 363.506 0.561 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087054644 1204936034 /nfs/dbraw/zinc/93/60/34/1204936034.db2.gz UYHSENOQTOEMJJ-KBAYOESNSA-N 2 0 362.474 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087059717 1204943551 /nfs/dbraw/zinc/94/35/51/1204943551.db2.gz RUAAUGCYCSRLHW-BFYDXBDKSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087059866 1204944054 /nfs/dbraw/zinc/94/40/54/1204944054.db2.gz YEQUVLPLKDXQOY-NUJGCVRESA-N 2 0 361.490 0.770 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087061030 1204947871 /nfs/dbraw/zinc/94/78/71/1204947871.db2.gz KMIKDIBJQZJDPC-NXHRZFHOSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087067834 1204956055 /nfs/dbraw/zinc/95/60/55/1204956055.db2.gz XOIOLOWYXZJILI-MOXMWUHRSA-N 2 0 363.502 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083547 1204969994 /nfs/dbraw/zinc/96/99/94/1204969994.db2.gz KEUHWQGCRVQQIZ-BZUAXINKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083365 1204971625 /nfs/dbraw/zinc/97/16/25/1204971625.db2.gz BABGOBTZTBEDIB-ARFHVFGLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083904 1204971909 /nfs/dbraw/zinc/97/19/09/1204971909.db2.gz XHFAMAGQSOGQCV-BRWVUGGUSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087100490 1204998168 /nfs/dbraw/zinc/99/81/68/1204998168.db2.gz VPEUAWQSFHVJRB-GVDBMIGSSA-N 2 0 363.506 0.808 20 0 FCADRP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091855204 1205050902 /nfs/dbraw/zinc/05/09/02/1205050902.db2.gz ZCDNGYLVTSDOMS-UZLBHIALSA-N 2 0 367.453 0.961 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856484 1205051722 /nfs/dbraw/zinc/05/17/22/1205051722.db2.gz STZWRXILUVVLGG-OGWOLHLISA-N 2 0 355.442 0.992 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091984696 1205094232 /nfs/dbraw/zinc/09/42/32/1205094232.db2.gz AORKMRFTAQGAHF-ZTNFWEORSA-N 2 0 364.534 0.974 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975276 1205105876 /nfs/dbraw/zinc/10/58/76/1205105876.db2.gz NASWVGRJLPPTBG-HLIPFELVSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013474 1205113369 /nfs/dbraw/zinc/11/33/69/1205113369.db2.gz RTICYSBMIORCDY-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015791 1205114803 /nfs/dbraw/zinc/11/48/03/1205114803.db2.gz WEDGKORQIKXXBA-GUXCAODWSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022591 1205120118 /nfs/dbraw/zinc/12/01/18/1205120118.db2.gz YZKMFZGFJRFGPZ-VCBZYWHSSA-N 2 0 364.490 0.256 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092130950 1205169407 /nfs/dbraw/zinc/16/94/07/1205169407.db2.gz JVYOXNLWMWBYAA-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131001 1205169589 /nfs/dbraw/zinc/16/95/89/1205169589.db2.gz MTUWYOXHEJYNNU-HLIPFELVSA-N 2 0 364.534 0.975 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145342 1205171241 /nfs/dbraw/zinc/17/12/41/1205171241.db2.gz KFJPGELBUHDXLS-KHYOSLBOSA-N 2 0 366.506 0.012 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092189007 1205187798 /nfs/dbraw/zinc/18/77/98/1205187798.db2.gz WPTAQTZMWRNKDD-XLIONFOSSA-N 2 0 362.518 0.635 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198919 1205194760 /nfs/dbraw/zinc/19/47/60/1205194760.db2.gz BUCJUWWVDKCYIQ-MDZRGWNJSA-N 2 0 363.506 0.134 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203846 1205197083 /nfs/dbraw/zinc/19/70/83/1205197083.db2.gz ZTDHOVGAPVBZAO-MDZRGWNJSA-N 2 0 360.502 0.483 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092203718 1205197111 /nfs/dbraw/zinc/19/71/11/1205197111.db2.gz IDMBZDVXJYJGOC-LIVBEALHSA-N 2 0 371.485 0.820 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092232919 1205205205 /nfs/dbraw/zinc/20/52/05/1205205205.db2.gz FFCBXXLSZPOSIN-KSMMKXTCSA-N 2 0 359.474 0.708 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273426 1205220462 /nfs/dbraw/zinc/22/04/62/1205220462.db2.gz NUYCRLVAJHEUFT-SCTDSRPQSA-N 2 0 360.506 0.627 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273769 1205220910 /nfs/dbraw/zinc/22/09/10/1205220910.db2.gz RDIHZDPWCBBNIM-FCEWJHQRSA-N 2 0 360.506 0.838 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273465 1205221113 /nfs/dbraw/zinc/22/11/13/1205221113.db2.gz NZFBIRKNCJUIOE-YRNRMSPPSA-N 2 0 362.518 0.777 20 0 FCADRP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273440 1205221456 /nfs/dbraw/zinc/22/14/56/1205221456.db2.gz NVZWHLKSBQPRPL-KHYOSLBOSA-N 2 0 359.474 0.717 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604316 1205317828 /nfs/dbraw/zinc/31/78/28/1205317828.db2.gz GDTOXYVVJFOFDF-RBSFLKMASA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615802 1205329190 /nfs/dbraw/zinc/32/91/90/1205329190.db2.gz PXUCBWBQOCHQMW-BRWVUGGUSA-N 2 0 363.506 0.779 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773972 1205353825 /nfs/dbraw/zinc/35/38/25/1205353825.db2.gz CUJYOLZQYRBHCW-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773973 1205354143 /nfs/dbraw/zinc/35/41/43/1205354143.db2.gz CUJYOLZQYRBHCW-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cn(C)c3ccccc23)O1 ZINC001220481741 1224888007 /nfs/dbraw/zinc/88/80/07/1224888007.db2.gz PRZLEOZIBIIAIL-MMTROXRISA-N 2 0 374.485 0.889 20 0 FCADRP [NH3+][C@H](CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O)c1ccccc1 ZINC001220504070 1224894802 /nfs/dbraw/zinc/89/48/02/1224894802.db2.gz QXMFAPMVKSOGGR-RCCFBDPRSA-N 2 0 350.422 0.915 20 0 FCADRP [NH3+][C@H](CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O)c1ccccc1 ZINC001220504068 1224895308 /nfs/dbraw/zinc/89/53/08/1224895308.db2.gz QXMFAPMVKSOGGR-KURKYZTESA-N 2 0 350.422 0.915 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[C@H]([NH3+])CN3)cc2)CC1 ZINC001220515664 1224899097 /nfs/dbraw/zinc/89/90/97/1224899097.db2.gz IQUIZMRZVZWWKS-KAVNZZFMSA-N 2 0 359.474 0.398 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220519621 1224901718 /nfs/dbraw/zinc/90/17/18/1224901718.db2.gz VDPGOLVRSFXFMS-KRWDZBQOSA-N 2 0 361.486 0.903 20 0 FCADRP [NH3+]CCNCC(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220535974 1224911833 /nfs/dbraw/zinc/91/18/33/1224911833.db2.gz QXKLJBWRXTWODV-FQEVSTJZSA-N 2 0 370.497 0.714 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911648 1205940458 /nfs/dbraw/zinc/94/04/58/1205940458.db2.gz WGLUNHYDCNTUMQ-INMHGKMJSA-N 2 0 366.506 0.058 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC001092934509 1205962079 /nfs/dbraw/zinc/96/20/79/1205962079.db2.gz CLJHHOOHCDBEIV-RDTXWAMCSA-N 2 0 362.522 0.921 20 0 FCADRP CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132989 1206032632 /nfs/dbraw/zinc/03/26/32/1206032632.db2.gz JVTFXLTWEJONNZ-GDBMZVCRSA-N 2 0 360.506 0.886 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193819 1206052200 /nfs/dbraw/zinc/05/22/00/1206052200.db2.gz MQTVGIDUZBJGMC-FGTMMUONSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093277025 1206069677 /nfs/dbraw/zinc/06/96/77/1206069677.db2.gz ANDVHEWRMGCKCY-KFWWJZLASA-N 2 0 364.490 0.350 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001093780946 1206114632 /nfs/dbraw/zinc/11/46/32/1206114632.db2.gz MMNGIIRVLHDFQL-KLHDSHLOSA-N 2 0 363.510 0.607 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)CC[N@@H+]1C ZINC001093780961 1206114899 /nfs/dbraw/zinc/11/48/99/1206114899.db2.gz NJKSLNLNDVJSEY-KLHDSHLOSA-N 2 0 366.485 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093777983 1206122960 /nfs/dbraw/zinc/12/29/60/1206122960.db2.gz CKSMJTIHXSLTSM-HUUCEWRRSA-N 2 0 360.462 0.931 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)n1 ZINC001093825625 1206123888 /nfs/dbraw/zinc/12/38/88/1206123888.db2.gz MWNQRQTVHOLBSD-ZIAGYGMSSA-N 2 0 365.478 0.884 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093822135 1206124058 /nfs/dbraw/zinc/12/40/58/1206124058.db2.gz LIESKDRMUOTEJZ-ZIAGYGMSSA-N 2 0 364.494 0.804 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093856770 1206131564 /nfs/dbraw/zinc/13/15/64/1206131564.db2.gz DFEJNYWUZWVEBE-BRWVUGGUSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093864002 1206136958 /nfs/dbraw/zinc/13/69/58/1206136958.db2.gz DRAKGDPBXFQMHT-IIAWOOMASA-N 2 0 361.494 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093864687 1206137115 /nfs/dbraw/zinc/13/71/15/1206137115.db2.gz SUHXFJBNMONSGR-BZUAXINKSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C)c1nnnn1C ZINC001093894776 1206152408 /nfs/dbraw/zinc/15/24/08/1206152408.db2.gz TVOBWGRUUREEFU-VNHYZAJKSA-N 2 0 368.445 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093994801 1206166185 /nfs/dbraw/zinc/16/61/85/1206166185.db2.gz PUMQBJOGPHOSKM-CBBWQLFWSA-N 2 0 364.494 0.023 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001094137365 1206191546 /nfs/dbraw/zinc/19/15/46/1206191546.db2.gz NEMGOPMJTGVYFM-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094171051 1206198827 /nfs/dbraw/zinc/19/88/27/1206198827.db2.gz HIJVOEYRBFNWBS-FMKPAKJESA-N 2 0 359.474 0.676 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094220533 1206203239 /nfs/dbraw/zinc/20/32/39/1206203239.db2.gz FKDJSXJRGHILAL-BZUAXINKSA-N 2 0 363.510 0.609 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495358 1206232181 /nfs/dbraw/zinc/23/21/81/1206232181.db2.gz KFRBMJSDJYQVIM-FRQCXROJSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCC4CC4)C3)C2)CC[N@@H+]1C ZINC001094741098 1206245909 /nfs/dbraw/zinc/24/59/09/1206245909.db2.gz YEOHQZPNVYTLAR-BPQIPLTHSA-N 2 0 362.518 0.918 20 0 FCADRP CC[N@@H+]1CC[C@@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1 ZINC001173362350 1206269094 /nfs/dbraw/zinc/26/90/94/1206269094.db2.gz DZHXLMHLRPWBIX-AEFFLSMTSA-N 2 0 362.522 0.921 20 0 FCADRP CCOCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178518339 1206358431 /nfs/dbraw/zinc/35/84/31/1206358431.db2.gz MDBDJOVJLYNYTI-IAGOWNOFSA-N 2 0 370.538 0.746 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@@H](O)C1 ZINC001179063209 1206371976 /nfs/dbraw/zinc/37/19/76/1206371976.db2.gz JTLOJFZKOJQHNM-SJCJKPOMSA-N 2 0 371.482 0.455 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@H]2C1 ZINC001179372314 1206379932 /nfs/dbraw/zinc/37/99/32/1206379932.db2.gz DBYWVWUJFNMAEI-FRRDWIJNSA-N 2 0 369.466 0.329 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181588603 1206411884 /nfs/dbraw/zinc/41/18/84/1206411884.db2.gz OFLVAXHYVGKFEQ-HPEALNBZSA-N 2 0 373.494 0.071 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181588610 1206411895 /nfs/dbraw/zinc/41/18/95/1206411895.db2.gz OFLVAXHYVGKFEQ-YDVRFCCISA-N 2 0 373.494 0.071 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001181896927 1206416950 /nfs/dbraw/zinc/41/69/50/1206416950.db2.gz SSZXWDZFXBEQNU-YKTARERQSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001182032249 1206419302 /nfs/dbraw/zinc/41/93/02/1206419302.db2.gz SYMYQYKZRCBLRF-MSOLQXFVSA-N 2 0 374.485 0.340 20 0 FCADRP Nc1cn(C(=O)C23CCC[NH+]2CCC3)ccc1=[NH+]CCN1CCOCC1 ZINC001183555970 1206455558 /nfs/dbraw/zinc/45/55/58/1206455558.db2.gz QPBLQZCUPQOXEY-UHFFFAOYSA-N 2 0 359.474 0.572 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCN1C(=O)Cc2ccccc2C1=O ZINC001183531784 1206456036 /nfs/dbraw/zinc/45/60/36/1206456036.db2.gz SKYRKPRQXUNQAZ-UHFFFAOYSA-N 2 0 373.457 0.665 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CCc1ccc(N)nc1)CC2 ZINC001183931202 1206462001 /nfs/dbraw/zinc/46/20/01/1206462001.db2.gz AAPSMTXSAIHJLU-UHFFFAOYSA-N 2 0 359.474 0.799 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000774814401 1206474730 /nfs/dbraw/zinc/47/47/30/1206474730.db2.gz HYHIZDLKTQUZNO-JKSUJKDBSA-N 2 0 366.506 0.347 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001187958035 1207404678 /nfs/dbraw/zinc/40/46/78/1207404678.db2.gz FRUNKABEFUMBSJ-CYGHRXIMSA-N 2 0 362.518 0.870 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654455 1224994658 /nfs/dbraw/zinc/99/46/58/1224994658.db2.gz SSWHLOUTKSVZER-HZPDHXFCSA-N 2 0 360.458 0.111 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001189055010 1207498489 /nfs/dbraw/zinc/49/84/89/1207498489.db2.gz MJOVACSUSQHLHL-YQVWRLOYSA-N 2 0 361.486 0.911 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189424979 1207548352 /nfs/dbraw/zinc/54/83/52/1207548352.db2.gz HACPIKJSEOXQMC-IPMKNSEASA-N 2 0 361.486 0.902 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189543537 1207565095 /nfs/dbraw/zinc/56/50/95/1207565095.db2.gz FSMIXPMMLVAXHM-FUHWJXTLSA-N 2 0 369.506 0.293 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220688972 1225015233 /nfs/dbraw/zinc/01/52/33/1225015233.db2.gz XVCGIDSFERUNEQ-MOPGFXCFSA-N 2 0 361.486 0.762 20 0 FCADRP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1F ZINC001193755137 1207890046 /nfs/dbraw/zinc/89/00/46/1207890046.db2.gz GHZXDQLGBRDJIT-NUJGCVRESA-N 2 0 365.449 0.836 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CCC1 ZINC001193766219 1207890882 /nfs/dbraw/zinc/89/08/82/1207890882.db2.gz PSGFBZDLKLCGPI-KZNAEPCWSA-N 2 0 361.486 0.236 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(CCOc2cccc(OC)c2)C[C@H]1O)[NH+](C)C ZINC001194095624 1207918258 /nfs/dbraw/zinc/91/82/58/1207918258.db2.gz JAJOXZPOMQYNSO-KZNAEPCWSA-N 2 0 365.474 0.576 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194299216 1207930069 /nfs/dbraw/zinc/93/00/69/1207930069.db2.gz SNHJWMZHNQSSRS-QZTJIDSGSA-N 2 0 362.474 0.496 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603906 1207964810 /nfs/dbraw/zinc/96/48/10/1207964810.db2.gz MXNXXKRTMDTCPK-IAGOWNOFSA-N 2 0 359.430 0.469 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001195708211 1208035699 /nfs/dbraw/zinc/03/56/99/1208035699.db2.gz IKOZYFNUEXWUEW-RTBURBONSA-N 2 0 371.485 0.875 20 0 FCADRP CC(C)N(C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001195859067 1208041422 /nfs/dbraw/zinc/04/14/22/1208041422.db2.gz DJIYDSRYCAWZDT-IAGOWNOFSA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@H]1O)[NH+](CC)CC ZINC001196122866 1208059096 /nfs/dbraw/zinc/05/90/96/1208059096.db2.gz HYSXRAKMLGWFEF-BZUAXINKSA-N 2 0 367.494 0.592 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184881 1208064512 /nfs/dbraw/zinc/06/45/12/1208064512.db2.gz JKOBSPGVRGRXRX-KFKAGJAMSA-N 2 0 363.502 0.727 20 0 FCADRP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cn1 ZINC001196199230 1208064813 /nfs/dbraw/zinc/06/48/13/1208064813.db2.gz FFWCHCCFDQWCJP-HZPDHXFCSA-N 2 0 364.490 0.729 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O)[NH+](C)C ZINC001196267909 1208069999 /nfs/dbraw/zinc/06/99/99/1208069999.db2.gz JMKZVOLCKGKJDS-QLFBSQMISA-N 2 0 363.462 0.061 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307290 1208070844 /nfs/dbraw/zinc/07/08/44/1208070844.db2.gz NWXLNMNXAQJOHE-KZNAEPCWSA-N 2 0 371.522 0.464 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O ZINC001197000292 1208127865 /nfs/dbraw/zinc/12/78/65/1208127865.db2.gz CCLAQFKVGPZAFD-QZTJIDSGSA-N 2 0 365.522 0.636 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)C(C)C ZINC001197018153 1208132393 /nfs/dbraw/zinc/13/23/93/1208132393.db2.gz NTZSDUFBXMCOLC-KURKYZTESA-N 2 0 365.522 0.490 20 0 FCADRP O=C(N[C@@H]1CN(CCOCC2CC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001197644192 1208181105 /nfs/dbraw/zinc/18/11/05/1208181105.db2.gz JXFWXTNTVRIXDG-RTBURBONSA-N 2 0 365.518 0.696 20 0 FCADRP COCCn1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnc1=O ZINC001197706163 1208187798 /nfs/dbraw/zinc/18/77/98/1208187798.db2.gz NUXSRNXFCPAYBZ-UHFFFAOYSA-N 2 0 367.494 0.235 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O ZINC001197723340 1208190342 /nfs/dbraw/zinc/19/03/42/1208190342.db2.gz GHVFQWYHFGFKGX-QZTJIDSGSA-N 2 0 365.522 0.984 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@H]1O ZINC001197825009 1208201643 /nfs/dbraw/zinc/20/16/43/1208201643.db2.gz AHHDMSIBQBSEDD-CEXWTWQISA-N 2 0 361.486 0.804 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)CC2)cc1 ZINC001220743888 1225049151 /nfs/dbraw/zinc/04/91/51/1225049151.db2.gz UMKSBQUDWNJKSH-LAUBAEHRSA-N 2 0 372.513 0.770 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220740953 1225049199 /nfs/dbraw/zinc/04/91/99/1225049199.db2.gz ZAEZWVVTSJVZDZ-MSOLQXFVSA-N 2 0 365.522 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652786 1208276888 /nfs/dbraw/zinc/27/68/88/1208276888.db2.gz BRQZGVNVXUZSPC-GUDVDZBRSA-N 2 0 361.486 0.706 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001199071224 1208316664 /nfs/dbraw/zinc/31/66/64/1208316664.db2.gz ORPRKZINWXWCES-GUDVDZBRSA-N 2 0 361.486 0.757 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@@H]1O ZINC001220764132 1225060910 /nfs/dbraw/zinc/06/09/10/1225060910.db2.gz AHHDMSIBQBSEDD-QYZOEREBSA-N 2 0 361.486 0.804 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001220764752 1225061078 /nfs/dbraw/zinc/06/10/78/1225061078.db2.gz VLPYUXSLUNFCHP-MOPGFXCFSA-N 2 0 361.486 0.415 20 0 FCADRP Cc1ccc(CCC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768586 1225062847 /nfs/dbraw/zinc/06/28/47/1225062847.db2.gz SKEOXWALKBEFKT-MOPGFXCFSA-N 2 0 363.502 0.667 20 0 FCADRP CCN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569531 1208463393 /nfs/dbraw/zinc/46/33/93/1208463393.db2.gz QWXGZINSUIEYPN-TVFCKZIOSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001488524658 1208528862 /nfs/dbraw/zinc/52/88/62/1208528862.db2.gz FKAYPHOALVGJLX-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001488870241 1208554994 /nfs/dbraw/zinc/55/49/94/1208554994.db2.gz SERJNTUJLPEOFG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220791158 1225076027 /nfs/dbraw/zinc/07/60/27/1225076027.db2.gz WVQMXKPWBDQYNK-XLAORIBOSA-N 2 0 371.485 0.591 20 0 FCADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220791157 1225076233 /nfs/dbraw/zinc/07/62/33/1225076233.db2.gz WVQMXKPWBDQYNK-VSZNYVQBSA-N 2 0 371.485 0.591 20 0 FCADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220794476 1225077942 /nfs/dbraw/zinc/07/79/42/1225077942.db2.gz QDLAQOJJFSIFNC-QAPCUYQASA-N 2 0 367.457 0.362 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828927 1225094461 /nfs/dbraw/zinc/09/44/61/1225094461.db2.gz JIECMTDQONDIEC-OTWHNJEPSA-N 2 0 363.502 0.483 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccc(CN3CC[NH2+]CC3)c2)C[NH2+]C1 ZINC001220834055 1225096779 /nfs/dbraw/zinc/09/67/79/1225096779.db2.gz GDILAZWYZFNTBE-UHFFFAOYSA-N 2 0 358.442 0.242 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001489535868 1208897266 /nfs/dbraw/zinc/89/72/66/1208897266.db2.gz ZHVBAEGSDUWKFQ-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC001489544986 1208906461 /nfs/dbraw/zinc/90/64/61/1208906461.db2.gz ANTQLUBHCUHQLT-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC)[NH+](C)C ZINC001489546791 1208910325 /nfs/dbraw/zinc/91/03/25/1208910325.db2.gz VHPHGDSKILBHOO-QXSJWSMHSA-N 2 0 356.511 0.255 20 0 FCADRP COC(=O)[C@@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840543 1225101572 /nfs/dbraw/zinc/10/15/72/1225101572.db2.gz PCPWOBZLDXNJJL-LSDHHAIUSA-N 2 0 362.430 0.616 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220850907 1225106902 /nfs/dbraw/zinc/10/69/02/1225106902.db2.gz AFRGNRNAPIOGFH-QGZVFWFLSA-N 2 0 374.485 0.481 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@]3(N)CCC[NH2+]C3)CC2)c1 ZINC001220913008 1225136927 /nfs/dbraw/zinc/13/69/27/1225136927.db2.gz FFICXXMSCLDPHQ-FQEVSTJZSA-N 2 0 374.485 0.635 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)COC1(C)C ZINC001220920627 1225140851 /nfs/dbraw/zinc/14/08/51/1225140851.db2.gz HKAIDFPUJBOSFW-LZWOXQAQSA-N 2 0 366.506 0.820 20 0 FCADRP O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220921051 1225140948 /nfs/dbraw/zinc/14/09/48/1225140948.db2.gz XQZCWEPGKUMXNO-CVEARBPZSA-N 2 0 357.458 0.287 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851879592 1209523179 /nfs/dbraw/zinc/52/31/79/1209523179.db2.gz LELGGVLINMYTFF-OAQYLSRUSA-N 2 0 374.529 0.850 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000852739627 1209560826 /nfs/dbraw/zinc/56/08/26/1209560826.db2.gz CNKSIGQLXHTISZ-JVSBHGNQSA-N 2 0 368.566 0.294 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220970988 1225166218 /nfs/dbraw/zinc/16/62/18/1225166218.db2.gz OLWVHILKGJZABK-UHFFFAOYSA-N 2 0 374.489 0.276 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220970998 1225166297 /nfs/dbraw/zinc/16/62/97/1225166297.db2.gz ORKZDKQCUMKCMH-HZPDHXFCSA-N 2 0 362.449 0.570 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000861512668 1209869252 /nfs/dbraw/zinc/86/92/52/1209869252.db2.gz OWSHWLYLBOACAU-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861749559 1209879545 /nfs/dbraw/zinc/87/95/45/1209879545.db2.gz CJUHGUZBFLFWCK-IAGOWNOFSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3(C(=O)N4C[C@H]5[C@@H](C4)[C@@H]5[NH+](C)C)CCC3)C[C@H]21 ZINC000861911608 1209888327 /nfs/dbraw/zinc/88/83/27/1209888327.db2.gz WPFATULTONXOTJ-QIYORIJCSA-N 2 0 360.502 0.194 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220974616 1225169383 /nfs/dbraw/zinc/16/93/83/1225169383.db2.gz FCSYUAMAGYZJDU-QGZVFWFLSA-N 3 0 360.477 0.663 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220975032 1225169660 /nfs/dbraw/zinc/16/96/60/1225169660.db2.gz OADSJTLXSQLLFI-KRWDZBQOSA-N 2 0 374.460 0.332 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863750567 1209949381 /nfs/dbraw/zinc/94/93/81/1209949381.db2.gz QUYZIDZNIAJRDN-NVXWUHKLSA-N 2 0 361.490 0.700 20 0 FCADRP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)C(F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000864906109 1209967637 /nfs/dbraw/zinc/96/76/37/1209967637.db2.gz LTJXIVPOFJXAKL-KLHDSHLOSA-N 2 0 366.481 0.811 20 0 FCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000866044238 1209990454 /nfs/dbraw/zinc/99/04/54/1209990454.db2.gz PCXOQWGFQWGGNC-QEOTZNIISA-N 2 0 370.513 0.922 20 0 FCADRP O=C(NCC1(Cc2ccncc2)CCOCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220996813 1225181346 /nfs/dbraw/zinc/18/13/46/1225181346.db2.gz KYYXCIXFNBSGDX-YLJYHZDGSA-N 2 0 358.486 0.736 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000868256771 1210047630 /nfs/dbraw/zinc/04/76/30/1210047630.db2.gz CNESHPVASWJISW-CYBMUJFWSA-N 2 0 365.453 0.712 20 0 FCADRP C[NH+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000871463556 1210157565 /nfs/dbraw/zinc/15/75/65/1210157565.db2.gz IIHJZTFVFUGVLT-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000875182594 1210348033 /nfs/dbraw/zinc/34/80/33/1210348033.db2.gz SOWFLMUZZMONIF-KRWDZBQOSA-N 2 0 368.522 0.450 20 0 FCADRP COC[C@@]1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000877224128 1210440061 /nfs/dbraw/zinc/44/00/61/1210440061.db2.gz FDPVQPNGGLRMHP-HXUWFJFHSA-N 2 0 361.486 0.771 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221081412 1225213187 /nfs/dbraw/zinc/21/31/87/1225213187.db2.gz KBJLHHOMDGETMT-KSZLIROESA-N 2 0 369.506 0.219 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C(=O)OC)n1 ZINC000878589726 1210462657 /nfs/dbraw/zinc/46/26/57/1210462657.db2.gz UEFMSTJTWGGXHP-HNNXBMFYSA-N 2 0 365.478 0.544 20 0 FCADRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)N1CCN(C(=O)C3CC3)CC1)CC2 ZINC000879247416 1210475850 /nfs/dbraw/zinc/47/58/50/1210475850.db2.gz COBTYEAHFLOXBU-UHFFFAOYSA-N 2 0 362.518 0.875 20 0 FCADRP Cn1nc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000879896694 1210502340 /nfs/dbraw/zinc/50/23/40/1210502340.db2.gz GIJBCTDXRLQGOR-UHFFFAOYSA-N 2 0 371.445 0.509 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089664 1225216645 /nfs/dbraw/zinc/21/66/45/1225216645.db2.gz LLKFORBJACJEEY-KSZLIROESA-N 2 0 367.465 0.231 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604241 1210673530 /nfs/dbraw/zinc/67/35/30/1210673530.db2.gz QWKLBDYPFSEUEU-MAUKXSAKSA-N 2 0 371.485 0.859 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000883604642 1210673764 /nfs/dbraw/zinc/67/37/64/1210673764.db2.gz BMMCECOVLFJLJI-DOTOQJQBSA-N 2 0 357.458 0.388 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883607426 1210674407 /nfs/dbraw/zinc/67/44/07/1210674407.db2.gz UWYMFYQYTZXOHX-QZTJIDSGSA-N 2 0 371.485 0.763 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221123582 1225230064 /nfs/dbraw/zinc/23/00/64/1225230064.db2.gz AJHGUCSRCALMJX-IRXDYDNUSA-N 2 0 371.485 0.520 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883639212 1210677349 /nfs/dbraw/zinc/67/73/49/1210677349.db2.gz JIMVXPUTJPSJIB-OAGGEKHMSA-N 2 0 357.458 0.472 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883638609 1210677362 /nfs/dbraw/zinc/67/73/62/1210677362.db2.gz RGWNZCQYWFAXAU-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883639997 1210677531 /nfs/dbraw/zinc/67/75/31/1210677531.db2.gz DUJOWILQQODJRX-CVEARBPZSA-N 2 0 359.474 0.577 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000883645745 1210678872 /nfs/dbraw/zinc/67/88/72/1210678872.db2.gz VDWNKIPJZPTVSX-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CCO1 ZINC000883661020 1210683490 /nfs/dbraw/zinc/68/34/90/1210683490.db2.gz ZTMMRRUVSALRQI-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884011313 1210709441 /nfs/dbraw/zinc/70/94/41/1210709441.db2.gz ZLPYFASWAAUIEK-INIZCTEOSA-N 2 0 355.442 0.930 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000884183230 1210720427 /nfs/dbraw/zinc/72/04/27/1210720427.db2.gz GQIIBHDLXPDTCB-HOTGVXAUSA-N 2 0 361.490 0.720 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884186165 1210721217 /nfs/dbraw/zinc/72/12/17/1210721217.db2.gz RSQOYYUPDAZDKY-SFHVURJKSA-N 2 0 373.501 0.864 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884205779 1210722711 /nfs/dbraw/zinc/72/27/11/1210722711.db2.gz FZZJPQCUXKKUDS-DLBZAZTESA-N 2 0 360.506 0.938 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000884207733 1210723155 /nfs/dbraw/zinc/72/31/55/1210723155.db2.gz DLDUYOGOQQOQQJ-HNNXBMFYSA-N 2 0 362.474 0.602 20 0 FCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000884236132 1210725811 /nfs/dbraw/zinc/72/58/11/1210725811.db2.gz NAQIKUWGOAGDNA-INIZCTEOSA-N 2 0 360.506 0.741 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884388500 1210732419 /nfs/dbraw/zinc/73/24/19/1210732419.db2.gz XODRVMCHAJFASU-SQNIBIBYSA-N 2 0 373.501 0.992 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000884486453 1210737958 /nfs/dbraw/zinc/73/79/58/1210737958.db2.gz XAAWGBRHDUFLCR-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000884488825 1210738284 /nfs/dbraw/zinc/73/82/84/1210738284.db2.gz HVHJBXZHYHYWQE-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000884489295 1210738735 /nfs/dbraw/zinc/73/87/35/1210738735.db2.gz UWHXUBJVMPIXCZ-BBTUJRGHSA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884490892 1210739097 /nfs/dbraw/zinc/73/90/97/1210739097.db2.gz IYCVCTLPUWDRSW-IRXDYDNUSA-N 2 0 358.486 0.938 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)cc1 ZINC000884502950 1210740525 /nfs/dbraw/zinc/74/05/25/1210740525.db2.gz XKZNXXQVRMZLDR-OKZBNKHCSA-N 2 0 356.470 0.821 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884509360 1210742158 /nfs/dbraw/zinc/74/21/58/1210742158.db2.gz DJUSILNHAVZFBY-SQWLQELKSA-N 2 0 359.474 0.671 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000884516620 1210742992 /nfs/dbraw/zinc/74/29/92/1210742992.db2.gz OQTICMCOFSEGGR-NVXWUHKLSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000884517864 1210744124 /nfs/dbraw/zinc/74/41/24/1210744124.db2.gz YFHAYPQBRAMIDD-BBRMVZONSA-N 2 0 362.449 0.854 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532512 1210745373 /nfs/dbraw/zinc/74/53/73/1210745373.db2.gz KUZZTMGLSFJRBR-YSHGAJCASA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554229 1210749076 /nfs/dbraw/zinc/74/90/76/1210749076.db2.gz PJHVNFAOPMMSGK-ACJLOTCBSA-N 2 0 356.470 0.547 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000884560172 1210751560 /nfs/dbraw/zinc/75/15/60/1210751560.db2.gz PDAGDAFRAKDVIP-WMLDXEAASA-N 2 0 358.486 0.888 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884576248 1210754356 /nfs/dbraw/zinc/75/43/56/1210754356.db2.gz CNXSYWQNKHSKTD-KSZLIROESA-N 2 0 356.470 0.512 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000884576584 1210754850 /nfs/dbraw/zinc/75/48/50/1210754850.db2.gz LALMQIFYEOUWJI-ATZDWAIDSA-N 2 0 372.513 0.993 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577150 1210755615 /nfs/dbraw/zinc/75/56/15/1210755615.db2.gz YPFZELMUCIIFAZ-CVEARBPZSA-N 2 0 366.506 0.109 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884597902 1210758960 /nfs/dbraw/zinc/75/89/60/1210758960.db2.gz NQPMBEIBXCOEFF-QGZVFWFLSA-N 2 0 367.538 0.250 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000884601818 1210759525 /nfs/dbraw/zinc/75/95/25/1210759525.db2.gz WGTUHPHUGCFOIS-LVCYWYKZSA-N 2 0 370.497 0.693 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884601571 1210759947 /nfs/dbraw/zinc/75/99/47/1210759947.db2.gz PQKJMVMSVLNVEW-FHWLQOOXSA-N 2 0 370.497 0.978 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884601559 1210760251 /nfs/dbraw/zinc/76/02/51/1210760251.db2.gz PJJOUSZPDPFABN-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884603508 1210761030 /nfs/dbraw/zinc/76/10/30/1210761030.db2.gz LGKPYGOEBXVJEX-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626665 1210765422 /nfs/dbraw/zinc/76/54/22/1210765422.db2.gz RHCUHHHUMILPCR-SQNIBIBYSA-N 2 0 356.470 0.560 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000884630049 1210767496 /nfs/dbraw/zinc/76/74/96/1210767496.db2.gz VAWAIFYTRLTOSJ-CALCHBBNSA-N 2 0 374.485 0.249 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000884647736 1210772301 /nfs/dbraw/zinc/77/23/01/1210772301.db2.gz KHJSHEHIKWBKEP-MSOLQXFVSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000884652420 1210773043 /nfs/dbraw/zinc/77/30/43/1210773043.db2.gz SWVZGRIQEVERRW-NVXWUHKLSA-N 2 0 358.486 0.820 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884656527 1210773180 /nfs/dbraw/zinc/77/31/80/1210773180.db2.gz KQKVTZPWXAFXEW-OAHLLOKOSA-N 2 0 368.522 0.722 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884652365 1210773335 /nfs/dbraw/zinc/77/33/35/1210773335.db2.gz RKBZVNRVIRKBMG-HDICACEKSA-N 2 0 356.470 0.730 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000884668534 1210775104 /nfs/dbraw/zinc/77/51/04/1210775104.db2.gz VWLCPRGJIVZVPY-CABCVRRESA-N 2 0 368.428 0.767 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000884668727 1210775153 /nfs/dbraw/zinc/77/51/53/1210775153.db2.gz ASHUNAALMZZJPN-HFTRVMKXSA-N 2 0 374.485 0.896 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884669941 1210775909 /nfs/dbraw/zinc/77/59/09/1210775909.db2.gz KRLQFLDQDDMYSZ-SJORKVTESA-N 2 0 367.538 0.106 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CC[NH2+]CC3)C2)cc1 ZINC000884675228 1210777136 /nfs/dbraw/zinc/77/71/36/1210777136.db2.gz WPAYEJYMWFDMBH-SFHVURJKSA-N 2 0 358.486 0.801 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000884676351 1210777844 /nfs/dbraw/zinc/77/78/44/1210777844.db2.gz KOIPCPVEVGLNJZ-GOSISDBHSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884678009 1210778429 /nfs/dbraw/zinc/77/84/29/1210778429.db2.gz MHZSKPPAQVKPQY-SQGPQFPESA-N 2 0 356.470 0.445 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678812 1210779732 /nfs/dbraw/zinc/77/97/32/1210779732.db2.gz MWUXVEVUWMTVCA-JLSDUUJJSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884688226 1210781249 /nfs/dbraw/zinc/78/12/49/1210781249.db2.gz WGKPGMZJZUSZOF-WAOWUJCRSA-N 2 0 370.497 0.835 20 0 FCADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000884693711 1210782690 /nfs/dbraw/zinc/78/26/90/1210782690.db2.gz LLPGMGJZVIGCOI-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000884706108 1210784276 /nfs/dbraw/zinc/78/42/76/1210784276.db2.gz RXSGIONRZCLRJO-ZBFHGGJFSA-N 2 0 368.522 0.842 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884707168 1210784681 /nfs/dbraw/zinc/78/46/81/1210784681.db2.gz ALXGCJZGJFEWDH-IPMKNSEASA-N 2 0 370.497 0.820 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884833431 1210800362 /nfs/dbraw/zinc/80/03/62/1210800362.db2.gz KOHWHCPLQTUAQW-WMZOPIPTSA-N 2 0 360.502 0.939 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833223 1210800404 /nfs/dbraw/zinc/80/04/04/1210800404.db2.gz IOARDAXRRKRMJV-RANZSIQMSA-N 2 0 356.470 0.443 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839051 1210800741 /nfs/dbraw/zinc/80/07/41/1210800741.db2.gz WCMCBGPXUVETQB-HNNXBMFYSA-N 2 0 358.486 0.797 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839974 1210800949 /nfs/dbraw/zinc/80/09/49/1210800949.db2.gz DORYOHWGRRDMAL-OAHLLOKOSA-N 2 0 358.486 0.749 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000884912861 1210803873 /nfs/dbraw/zinc/80/38/73/1210803873.db2.gz GRKNESHPHCCILW-JCNLHEQBSA-N 2 0 366.506 0.191 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000884916079 1210803962 /nfs/dbraw/zinc/80/39/62/1210803962.db2.gz ZTIDCTVQHAYTHB-JCNLHEQBSA-N 2 0 366.506 0.191 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884983375 1210807006 /nfs/dbraw/zinc/80/70/06/1210807006.db2.gz QFIASIRLMHZYLM-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000884983774 1210807140 /nfs/dbraw/zinc/80/71/40/1210807140.db2.gz WDTQKISCVSYSOE-KURKYZTESA-N 2 0 356.470 0.506 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140778 1210811905 /nfs/dbraw/zinc/81/19/05/1210811905.db2.gz YRSOSWZUCZPVPU-INIZCTEOSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141325 1210812344 /nfs/dbraw/zinc/81/23/44/1210812344.db2.gz LWYXMRHCZNGGRN-HZPDHXFCSA-N 2 0 366.506 0.062 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000885152327 1210813087 /nfs/dbraw/zinc/81/30/87/1210813087.db2.gz KAUVSNPEIAUGSQ-QFBILLFUSA-N 2 0 370.497 0.761 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000885162288 1210814221 /nfs/dbraw/zinc/81/42/21/1210814221.db2.gz KGPKPMJYEBYFAH-SJLPKXTDSA-N 2 0 356.470 0.512 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167680 1210814678 /nfs/dbraw/zinc/81/46/78/1210814678.db2.gz ORSYMDMASDIFID-ZWKOTPCHSA-N 2 0 358.486 0.758 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885284427 1210817170 /nfs/dbraw/zinc/81/71/70/1210817170.db2.gz GKKSHGCMFUPKER-HNNXBMFYSA-N 2 0 374.476 0.928 20 0 FCADRP O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000887079684 1210846076 /nfs/dbraw/zinc/84/60/76/1210846076.db2.gz XGTRHLVYDWDHKF-HXUWFJFHSA-N 2 0 371.485 0.722 20 0 FCADRP O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000887081470 1210846221 /nfs/dbraw/zinc/84/62/21/1210846221.db2.gz ULHFEQLBCBYEHX-XLIONFOSSA-N 2 0 362.518 0.923 20 0 FCADRP CNC(=O)C1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000887089491 1210846580 /nfs/dbraw/zinc/84/65/80/1210846580.db2.gz CVIJZQXKJNZCTF-INIZCTEOSA-N 2 0 362.474 0.290 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000887091167 1210847163 /nfs/dbraw/zinc/84/71/63/1210847163.db2.gz BRGJJBJNQCZXGA-YSGRDPCXSA-N 2 0 371.485 0.577 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000887091294 1210847174 /nfs/dbraw/zinc/84/71/74/1210847174.db2.gz GRZDDJZGKMNUJX-OAHLLOKOSA-N 2 0 359.474 0.706 20 0 FCADRP O=C1C[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306003 1210854586 /nfs/dbraw/zinc/85/45/86/1210854586.db2.gz GDCHQTLTNSBYTC-OTWHNJEPSA-N 2 0 371.481 0.950 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C45CC[NH+](CC4)CC5)(C2)C3)CC1 ZINC001274004817 1210857902 /nfs/dbraw/zinc/85/79/02/1210857902.db2.gz KPHKCOPPEPNKAD-UHFFFAOYSA-N 2 0 360.502 0.722 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274084349 1210876081 /nfs/dbraw/zinc/87/60/81/1210876081.db2.gz TYXIYSUYCRMRKZ-APMMTJHUSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1)[NH+](C)C ZINC001274157150 1210898800 /nfs/dbraw/zinc/89/88/00/1210898800.db2.gz IPPMBMPSHAKCML-ABFRBSLYSA-N 2 0 366.506 0.153 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000887924418 1210920170 /nfs/dbraw/zinc/92/01/70/1210920170.db2.gz KFRQMVOQPUPGJT-BGEMRTGESA-N 2 0 366.481 0.145 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750722 1210947389 /nfs/dbraw/zinc/94/73/89/1210947389.db2.gz OBJDMPNSFAAIRF-OALUTQOASA-N 2 0 366.550 0.850 20 0 FCADRP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831028 1210986501 /nfs/dbraw/zinc/98/65/01/1210986501.db2.gz PLFYVNFEMCOTLB-WEXBMKDWSA-N 2 0 363.502 0.998 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@@H](N)CC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183026 1225257701 /nfs/dbraw/zinc/25/77/01/1225257701.db2.gz DCZUODBCWVWBNF-ULQDDVLXSA-N 2 0 362.474 0.748 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](CC2CCCC2)C3)CC1 ZINC001275130336 1211176977 /nfs/dbraw/zinc/17/69/77/1211176977.db2.gz LDQLZUJYOAVNFO-UHFFFAOYSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170312 1211187150 /nfs/dbraw/zinc/18/71/50/1211187150.db2.gz UCFSQMXGOJDDPO-IBGZPJMESA-N 2 0 360.506 0.472 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171697 1211188239 /nfs/dbraw/zinc/18/82/39/1211188239.db2.gz NKIJGROMNCCELH-SCTDSRPQSA-N 2 0 359.518 0.931 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172601 1211188871 /nfs/dbraw/zinc/18/88/71/1211188871.db2.gz ZWPFSMMYMWEVDB-HKUYNNGSSA-N 2 0 360.506 0.470 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172603 1211188970 /nfs/dbraw/zinc/18/89/70/1211188970.db2.gz ZWPFSMMYMWEVDB-MJGOQNOKSA-N 2 0 360.506 0.470 20 0 FCADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275325808 1211215493 /nfs/dbraw/zinc/21/54/93/1211215493.db2.gz REVNJMKMANAWFH-GGPKGHCWSA-N 2 0 364.534 0.583 20 0 FCADRP Cc1ncc(CO)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1O ZINC001275335429 1211216376 /nfs/dbraw/zinc/21/63/76/1211216376.db2.gz JRDAMOQPFMLQAX-IAGOWNOFSA-N 2 0 362.474 0.715 20 0 FCADRP COc1cnccc1CN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275372106 1211225518 /nfs/dbraw/zinc/22/55/18/1211225518.db2.gz VFWXBZOZCOOCRU-IBGZPJMESA-N 2 0 362.474 0.703 20 0 FCADRP Nc1cc[nH+]cc1CN1CC[C@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456206 1211242786 /nfs/dbraw/zinc/24/27/86/1211242786.db2.gz VYASOVUDRDRCLS-IBGZPJMESA-N 2 0 360.458 0.724 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556002 1211255627 /nfs/dbraw/zinc/25/56/27/1211255627.db2.gz GLMSRAUYAITNSY-BEFAXECRSA-N 2 0 364.490 0.433 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556958 1211256648 /nfs/dbraw/zinc/25/66/48/1211256648.db2.gz QXHKOCVEHTZZLP-VQIMIIECSA-N 2 0 367.490 0.583 20 0 FCADRP COC(CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2)OC ZINC001275557022 1211257006 /nfs/dbraw/zinc/25/70/06/1211257006.db2.gz SOHKABVAMQJDER-LJQANCHMSA-N 2 0 369.506 0.498 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)CC1 ZINC001275557321 1211257009 /nfs/dbraw/zinc/25/70/09/1211257009.db2.gz XHCATKYUFXOBTQ-HXUWFJFHSA-N 2 0 364.534 0.727 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)nc1 ZINC001275603799 1211263104 /nfs/dbraw/zinc/26/31/04/1211263104.db2.gz MQOUZIIQFBTUPO-IBGZPJMESA-N 2 0 360.458 0.854 20 0 FCADRP COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275736848 1211278695 /nfs/dbraw/zinc/27/86/95/1211278695.db2.gz HUTOVZSYDYCIRC-LPHOPBHVSA-N 2 0 367.490 0.631 20 0 FCADRP COC[C@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275736847 1211278831 /nfs/dbraw/zinc/27/88/31/1211278831.db2.gz HUTOVZSYDYCIRC-APWZRJJASA-N 2 0 367.490 0.631 20 0 FCADRP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736545 1211278949 /nfs/dbraw/zinc/27/89/49/1211278949.db2.gz FSOUFTPPQDTHRL-LJQANCHMSA-N 2 0 364.490 0.352 20 0 FCADRP Cc1cc(CN2C[C@@]3(CC[N@H+](CC4CC[NH2+]CC4)C3)OCC2=O)n(C)n1 ZINC001275737805 1211279125 /nfs/dbraw/zinc/27/91/25/1211279125.db2.gz OJKYCDAAWWKTGQ-IBGZPJMESA-N 2 0 361.490 0.531 20 0 FCADRP O=C1C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1ccnc1 ZINC001275738218 1211279405 /nfs/dbraw/zinc/27/94/05/1211279405.db2.gz VWOTWCZSPCHGHE-LJQANCHMSA-N 2 0 359.474 0.724 20 0 FCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](Cc2ccc[nH]2)C3)C1 ZINC001275817599 1211290412 /nfs/dbraw/zinc/29/04/12/1211290412.db2.gz PDBZLPWMMISRSS-HNNXBMFYSA-N 2 0 360.458 0.544 20 0 FCADRP COCCOCN1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833920 1211293983 /nfs/dbraw/zinc/29/39/83/1211293983.db2.gz SFOVIIDLPVVPLG-LJQANCHMSA-N 2 0 369.506 0.642 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000363477413 1211294513 /nfs/dbraw/zinc/29/45/13/1211294513.db2.gz VUJQKPVOWKLLMA-IAGOWNOFSA-N 2 0 363.506 0.563 20 0 FCADRP Cn1cnnc1CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001275877359 1211303088 /nfs/dbraw/zinc/30/30/88/1211303088.db2.gz AMRKHZZVJYIOMH-HOTGVXAUSA-N 2 0 360.506 0.875 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879878 1211304550 /nfs/dbraw/zinc/30/45/50/1211304550.db2.gz QRZLNSVAYAFWFJ-BXWFABGCSA-N 2 0 367.490 0.583 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001095425329 1211333793 /nfs/dbraw/zinc/33/37/93/1211333793.db2.gz LWKHTVYLBQYEEU-QZWWFDLISA-N 2 0 374.485 0.199 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001095425328 1211334023 /nfs/dbraw/zinc/33/40/23/1211334023.db2.gz LWKHTVYLBQYEEU-NCOADZHNSA-N 2 0 374.485 0.199 20 0 FCADRP CN(C)c1ncc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cn1 ZINC001276106009 1211354801 /nfs/dbraw/zinc/35/48/01/1211354801.db2.gz GKRNQFFOFKJELZ-UHFFFAOYSA-N 2 0 360.506 0.919 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276130482 1211363084 /nfs/dbraw/zinc/36/30/84/1211363084.db2.gz MWJJUOOQXFRYHJ-SFHVURJKSA-N 2 0 363.462 0.715 20 0 FCADRP Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001095611061 1211426413 /nfs/dbraw/zinc/42/64/13/1211426413.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 0 359.474 0.726 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CCC1=O ZINC001095625675 1211429596 /nfs/dbraw/zinc/42/95/96/1211429596.db2.gz BLHBDSGSPVKBMP-UGUYLWEFSA-N 2 0 362.474 0.341 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)cc2)CC1 ZINC000924466193 1211470648 /nfs/dbraw/zinc/47/06/48/1211470648.db2.gz HEUFLLAWEKRUKI-SFHVURJKSA-N 2 0 373.501 0.806 20 0 FCADRP C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000924478044 1211471130 /nfs/dbraw/zinc/47/11/30/1211471130.db2.gz JNXUNHCSDLWGFJ-WBVHZDCISA-N 2 0 359.474 0.679 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC000924674062 1211476842 /nfs/dbraw/zinc/47/68/42/1211476842.db2.gz KHFYAOMRJFXALC-CVEARBPZSA-N 2 0 358.450 0.436 20 0 FCADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)ccn2)CC1 ZINC000924688233 1211477312 /nfs/dbraw/zinc/47/73/12/1211477312.db2.gz FDEPCYWEVCYFDB-KRWDZBQOSA-N 2 0 359.474 0.218 20 0 FCADRP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221312192 1225293677 /nfs/dbraw/zinc/29/36/77/1225293677.db2.gz XOJDUIYLKSCZPD-CYBMUJFWSA-N 2 0 356.382 0.496 20 0 FCADRP CN(C)c1ccnc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000926086107 1211515815 /nfs/dbraw/zinc/51/58/15/1211515815.db2.gz IFZPGARGQJLBMP-GASCZTMLSA-N 2 0 359.478 0.975 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926326094 1211531276 /nfs/dbraw/zinc/53/12/76/1211531276.db2.gz KKARAGVYLQSLPA-ZWKOTPCHSA-N 2 0 358.486 0.775 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927636994 1211577486 /nfs/dbraw/zinc/57/74/86/1211577486.db2.gz QUJPVSJMJSZJRF-KRWDZBQOSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000927644391 1211578233 /nfs/dbraw/zinc/57/82/33/1211578233.db2.gz MURPIZSGBZEPBX-SJLPKXTDSA-N 2 0 366.506 0.603 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000927643513 1211578283 /nfs/dbraw/zinc/57/82/83/1211578283.db2.gz JEEIYJRBFXCMNT-GOSISDBHSA-N 2 0 366.506 0.746 20 0 FCADRP COc1ccccc1[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1nnc(C)o1 ZINC001221335877 1225299974 /nfs/dbraw/zinc/29/99/74/1225299974.db2.gz IAGHSUOZZYLIPM-HIFRSBDPSA-N 2 0 357.414 0.401 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956783 1211614862 /nfs/dbraw/zinc/61/48/62/1211614862.db2.gz ZXRDOZHQKNNNKC-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365675 1225303114 /nfs/dbraw/zinc/30/31/14/1225303114.db2.gz GWYVYNSUOMWGPK-VQHPVUNQSA-N 2 0 362.449 0.364 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)COC1(C)C ZINC001221398479 1225306580 /nfs/dbraw/zinc/30/65/80/1225306580.db2.gz ACFYYCJTYYDVQA-RCBQFDQVSA-N 2 0 360.458 0.128 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)c1 ZINC001221403154 1225306733 /nfs/dbraw/zinc/30/67/33/1225306733.db2.gz FWTYQDLYTKNHDW-DLBZAZTESA-N 2 0 356.426 0.480 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)c1 ZINC001221404491 1225307509 /nfs/dbraw/zinc/30/75/09/1225307509.db2.gz MFQRYWAAEDATLL-LSDHHAIUSA-N 2 0 366.462 0.070 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000930958237 1211731695 /nfs/dbraw/zinc/73/16/95/1211731695.db2.gz LEFJQQVVMIFUOB-DLBZAZTESA-N 2 0 359.474 0.897 20 0 FCADRP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001111022777 1211795125 /nfs/dbraw/zinc/79/51/25/1211795125.db2.gz XCPKAWMNHUWGLO-IDCNUPLLSA-N 2 0 362.474 0.484 20 0 FCADRP O=C(NC[C@H]1CCCCC[N@H+]1CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962358 1212202926 /nfs/dbraw/zinc/20/29/26/1212202926.db2.gz APFOUIBVXXRSSK-KURKYZTESA-N 2 0 369.506 0.219 20 0 FCADRP COC[C@@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949395656 1212371098 /nfs/dbraw/zinc/37/10/98/1212371098.db2.gz YDURQWRZOINITJ-BRWVUGGUSA-N 2 0 369.506 0.434 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007482180 1212503962 /nfs/dbraw/zinc/50/39/62/1212503962.db2.gz CAMGAWXMLCPFQQ-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001111308300 1212537715 /nfs/dbraw/zinc/53/77/15/1212537715.db2.gz MFQYZZHDMCFRMM-XDNAFOTISA-N 2 0 363.506 0.697 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000950391001 1212566739 /nfs/dbraw/zinc/56/67/39/1212566739.db2.gz PYCMYDMMGAPMBS-FHLIZLRMSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950673584 1212627090 /nfs/dbraw/zinc/62/70/90/1212627090.db2.gz BMDJDUPKICZCBR-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000950704411 1212634174 /nfs/dbraw/zinc/63/41/74/1212634174.db2.gz DTBOUMMZILQRGW-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC(C)(C)C2)O1 ZINC000950790175 1212675039 /nfs/dbraw/zinc/67/50/39/1212675039.db2.gz ZRPJXEWNZSGWIO-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000080977849 1212883388 /nfs/dbraw/zinc/88/33/88/1212883388.db2.gz BXMZFRSBPQBYJB-INIZCTEOSA-N 2 0 373.501 0.787 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000952407747 1212947566 /nfs/dbraw/zinc/94/75/66/1212947566.db2.gz NZOWSCLPEOHENI-GDBMZVCRSA-N 2 0 359.474 0.783 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000954048671 1213035708 /nfs/dbraw/zinc/03/57/08/1213035708.db2.gz AFJBRGYAGANKKN-BFYDXBDKSA-N 2 0 366.506 0.107 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221654399 1225420021 /nfs/dbraw/zinc/42/00/21/1225420021.db2.gz IVHISEDVGMBDDF-BRWVUGGUSA-N 2 0 363.506 0.507 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663910 1225425450 /nfs/dbraw/zinc/42/54/50/1225425450.db2.gz URGHPANLVOBDQO-QGPMSJSTSA-N 2 0 358.442 0.796 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000955077438 1213132468 /nfs/dbraw/zinc/13/24/68/1213132468.db2.gz CQDWTXSEMOKBPT-OIISXLGYSA-N 2 0 366.506 0.105 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000956984278 1213226322 /nfs/dbraw/zinc/22/63/22/1213226322.db2.gz MOVWMJMNSZZXPP-SUMDDJOVSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000957012489 1213230590 /nfs/dbraw/zinc/23/05/90/1213230590.db2.gz INZPMKNREFWPNT-MDZRGWNJSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000957746189 1213354760 /nfs/dbraw/zinc/35/47/60/1213354760.db2.gz GPKVVNVPMDGHBB-BFYDXBDKSA-N 2 0 361.490 0.658 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC000960000521 1213575760 /nfs/dbraw/zinc/57/57/60/1213575760.db2.gz HPLOMGALMFUFNO-DOEOUOAPSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1)C1CCC1 ZINC000960138962 1213633290 /nfs/dbraw/zinc/63/32/90/1213633290.db2.gz MHXMWQJGLPINOK-IXDOHACOSA-N 2 0 364.490 0.003 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)CC[N@@H+]1C ZINC001010588527 1213803113 /nfs/dbraw/zinc/80/31/13/1213803113.db2.gz UMLBTCFZXPPDES-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[NH+](C)C)c1 ZINC000418837235 1213851031 /nfs/dbraw/zinc/85/10/31/1213851031.db2.gz AAWMKEZIONHPFL-FXAWDEMLSA-N 2 0 374.485 0.769 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC000960740462 1213917179 /nfs/dbraw/zinc/91/71/79/1213917179.db2.gz KKJLKHCDVNQGMJ-VVLHAWIVSA-N 2 0 364.490 0.003 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC000960780098 1213934104 /nfs/dbraw/zinc/93/41/04/1213934104.db2.gz CWIXFWIJOCHUOE-LTIDMASMSA-N 2 0 364.490 0.003 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960780695 1213934909 /nfs/dbraw/zinc/93/49/09/1213934909.db2.gz JWQGQSCPJQWHPA-LTIDMASMSA-N 2 0 366.506 0.249 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001016770704 1214041611 /nfs/dbraw/zinc/04/16/11/1214041611.db2.gz AJJUQSHUVBRYBU-SJJHQCBESA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)[C@@H](c2ccccc2)C1 ZINC001016839351 1214052083 /nfs/dbraw/zinc/05/20/83/1214052083.db2.gz BVAIEQKNIDQARF-SQNIBIBYSA-N 2 0 370.497 0.788 20 0 FCADRP COCCCC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276370379 1214159468 /nfs/dbraw/zinc/15/94/68/1214159468.db2.gz ZGQNZAHRNLIQFF-HXUWFJFHSA-N 2 0 366.550 0.975 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001019038656 1214183376 /nfs/dbraw/zinc/18/33/76/1214183376.db2.gz XRMSVDOYUXIBNP-YESZJQIVSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019070352 1214190223 /nfs/dbraw/zinc/19/02/23/1214190223.db2.gz KEHVXZRVRPRJSD-BRWVUGGUSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1 ZINC001019070150 1214190743 /nfs/dbraw/zinc/19/07/43/1214190743.db2.gz ATAYIKUEBBJQIS-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019112475 1214197643 /nfs/dbraw/zinc/19/76/43/1214197643.db2.gz UCEMTKCXLIJKNK-ZACQAIPSSA-N 2 0 364.534 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001020174713 1214316461 /nfs/dbraw/zinc/31/64/61/1214316461.db2.gz NWOZDBNCJNUIGG-ZQDZILKHSA-N 2 0 362.478 0.275 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000961989884 1214393344 /nfs/dbraw/zinc/39/33/44/1214393344.db2.gz HUWFVNVGYZSNMU-YOODTLSXSA-N 2 0 361.486 0.882 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cnnn2C)CC3)CC[N@@H+]1C ZINC001040707536 1214570498 /nfs/dbraw/zinc/57/04/98/1214570498.db2.gz DTEFSPIQZVEYDR-NVXWUHKLSA-N 2 0 360.506 0.970 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CC(=O)NC3CCCC3)C[C@H]21 ZINC001221946987 1225546630 /nfs/dbraw/zinc/54/66/30/1225546630.db2.gz LWCHLXAIPLUENO-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963043433 1214721411 /nfs/dbraw/zinc/72/14/11/1214721411.db2.gz WJISEACDBCSUTK-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001221950765 1225550514 /nfs/dbraw/zinc/55/05/14/1225550514.db2.gz WZMYJLZOXKQKJZ-KZNAEPCWSA-N 2 0 369.506 0.293 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963485373 1214813797 /nfs/dbraw/zinc/81/37/97/1214813797.db2.gz AXJCOSCSWRZSGP-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N2CCCC2)C3)CC[N@@H+]1C ZINC000963823540 1214859111 /nfs/dbraw/zinc/85/91/11/1214859111.db2.gz PYYOFGPZUNJCAU-FUNFLYJBSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000963874342 1214866158 /nfs/dbraw/zinc/86/61/58/1214866158.db2.gz UXFAQLNIHQGWRU-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC3CC3)C[C@H]21 ZINC001222050693 1225591119 /nfs/dbraw/zinc/59/11/19/1225591119.db2.gz CWALNBMHSAXCTG-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)cnc12 ZINC001222095050 1225599380 /nfs/dbraw/zinc/59/93/80/1225599380.db2.gz NNHIOSSNHKURAG-UHFFFAOYSA-N 3 0 369.517 0.724 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC[C@]3(C[NH2+]CCO3)C2)c1 ZINC001222186347 1225608816 /nfs/dbraw/zinc/60/88/16/1225608816.db2.gz FEYTYXRWPWSHSC-FQEVSTJZSA-N 2 0 360.502 0.283 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055647561 1215897431 /nfs/dbraw/zinc/89/74/31/1215897431.db2.gz UIVAQTQZUUJRRL-QAPCUYQASA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055651322 1215899481 /nfs/dbraw/zinc/89/94/81/1215899481.db2.gz IWTNOYHIWPMNGT-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001055651634 1215899514 /nfs/dbraw/zinc/89/95/14/1215899514.db2.gz UYEINIUNAXKBLL-HYVNUMGLSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccnc3C)C2)CC[N@@H+]1C ZINC001051624398 1216467940 /nfs/dbraw/zinc/46/79/40/1216467940.db2.gz PKJWJRROWVXWCI-SOLBZPMBSA-N 2 0 361.490 0.832 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057738650 1216528828 /nfs/dbraw/zinc/52/88/28/1216528828.db2.gz DRIIPUSNMIAQNW-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001057746281 1216537047 /nfs/dbraw/zinc/53/70/47/1216537047.db2.gz RGVHXWSJHBWNSV-DLBZAZTESA-N 2 0 370.538 0.386 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000827321535 1216586801 /nfs/dbraw/zinc/58/68/01/1216586801.db2.gz QEQKIBYBJLMFEN-DOTOQJQBSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057966479 1216611329 /nfs/dbraw/zinc/61/13/29/1216611329.db2.gz JFSZEXGZQPLKKE-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827706337 1216643266 /nfs/dbraw/zinc/64/32/66/1216643266.db2.gz LMIUJXFLOJLZKT-GVDBMIGSSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068884800 1216764344 /nfs/dbraw/zinc/76/43/44/1216764344.db2.gz ILRYIFJZZRTRLN-HRCADAONSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)CC[N@@H+]1C ZINC001069014873 1216772503 /nfs/dbraw/zinc/77/25/03/1216772503.db2.gz MYCQHJQEUAOAQA-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP COCCOC[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248365 1225694476 /nfs/dbraw/zinc/69/44/76/1225694476.db2.gz JFQUQPKHMKMYOC-KBAYOESNSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CC4CC4)n3CC2)CC[N@@H+]1C ZINC001069844869 1216805663 /nfs/dbraw/zinc/80/56/63/1216805663.db2.gz OSCJCXMDWMOYBW-VNQPRFMTSA-N 2 0 360.506 0.939 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001069988290 1216885602 /nfs/dbraw/zinc/88/56/02/1216885602.db2.gz QLZMTZZYMTUJQO-FGTMMUONSA-N 2 0 358.490 0.904 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070050475 1216926806 /nfs/dbraw/zinc/92/68/06/1216926806.db2.gz BNVLBNKSCLCDIN-CVEARBPZSA-N 2 0 360.466 0.102 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N(C)C4CC4)C3)C2)CC[N@@H+]1C ZINC001041295992 1217270616 /nfs/dbraw/zinc/27/06/16/1217270616.db2.gz BOXAAFFBXRUYLX-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP COC(=O)c1ccnc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001276923377 1225739124 /nfs/dbraw/zinc/73/91/24/1225739124.db2.gz XNVUFJGHRRYTRQ-IBGZPJMESA-N 2 0 360.458 0.997 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224140248 1225760161 /nfs/dbraw/zinc/76/01/61/1225760161.db2.gz JCXPRHUBNDTJBS-WBVHZDCISA-N 2 0 359.474 0.641 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233498 1225766198 /nfs/dbraw/zinc/76/61/98/1225766198.db2.gz ULQTVNUBHMWDBR-SQNIBIBYSA-N 2 0 363.506 0.507 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045969032 1217982452 /nfs/dbraw/zinc/98/24/52/1217982452.db2.gz XUQCMNCNFVAGIZ-SPYBWZPUSA-N 2 0 359.474 0.714 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC000900480564 1217995693 /nfs/dbraw/zinc/99/56/93/1217995693.db2.gz HYVFTMMEUMHKSF-QGZVFWFLSA-N 3 0 364.538 0.933 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000900601303 1218011705 /nfs/dbraw/zinc/01/17/05/1218011705.db2.gz MFPZMKOMNJGERD-CSODTCANSA-N 2 0 365.518 0.935 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000901229865 1218096291 /nfs/dbraw/zinc/09/62/91/1218096291.db2.gz VZGRUCJHLIYXMC-INIZCTEOSA-N 2 0 369.506 0.567 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC2CC2)CC[N@@H+]1C ZINC001048527761 1218279944 /nfs/dbraw/zinc/27/99/44/1218279944.db2.gz NGEGGFOHHHVTFL-AGTSVGGPSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001048528462 1218280791 /nfs/dbraw/zinc/28/07/91/1218280791.db2.gz WTTMHZBXHRKQBN-OOOWVJFSSA-N 2 0 362.518 0.917 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccncn1 ZINC001225367479 1225808467 /nfs/dbraw/zinc/80/84/67/1225808467.db2.gz AXOZRCHJBMBELN-UHFFFAOYSA-N 2 0 355.446 0.883 20 0 FCADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048824914 1218320833 /nfs/dbraw/zinc/32/08/33/1218320833.db2.gz JUVRSDVJIZLFNK-NLNMYJFZSA-N 2 0 365.518 0.504 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000803564424 1218437022 /nfs/dbraw/zinc/43/70/22/1218437022.db2.gz MAROCLHOAKDLJL-IKGGRYGDSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCO)CC1 ZINC001049476239 1218458694 /nfs/dbraw/zinc/45/86/94/1218458694.db2.gz ADIWVJQCTZVRDO-YRXWBPOGSA-N 2 0 365.518 0.791 20 0 FCADRP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757605 1218516694 /nfs/dbraw/zinc/51/66/94/1218516694.db2.gz DVSUAIRUQHHLQW-HUUCEWRRSA-N 2 0 363.462 0.860 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000903770850 1218521859 /nfs/dbraw/zinc/52/18/59/1218521859.db2.gz ZKXZAFJLYYHKBH-XLMAVXFVSA-N 2 0 361.490 0.803 20 0 FCADRP CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)C1 ZINC001096583166 1218564213 /nfs/dbraw/zinc/56/42/13/1218564213.db2.gz KDRIMCMMUHUZAE-OWSLCNJRSA-N 2 0 361.490 0.405 20 0 FCADRP CN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001097095531 1218687456 /nfs/dbraw/zinc/68/74/56/1218687456.db2.gz RORCESHPNWYOCJ-SIXLDLHFSA-N 2 0 374.489 0.011 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226315778 1225839946 /nfs/dbraw/zinc/83/99/46/1225839946.db2.gz FMEDMIAVAWTQPR-HUUCEWRRSA-N 2 0 364.494 0.211 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000826882997 1218910226 /nfs/dbraw/zinc/91/02/26/1218910226.db2.gz QSCQGLHKBRKOLL-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226800208 1225854594 /nfs/dbraw/zinc/85/45/94/1225854594.db2.gz HXADMSPMTQMUNS-NUJGCVRESA-N 2 0 368.522 0.496 20 0 FCADRP CN(CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001227184481 1225865285 /nfs/dbraw/zinc/86/52/85/1225865285.db2.gz LFXZAZWCFPGPAK-BRWVUGGUSA-N 2 0 359.474 0.813 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)CCOC)CC2)CC[N@@H+]1C ZINC001055486668 1219059037 /nfs/dbraw/zinc/05/90/37/1219059037.db2.gz ZTZUGPDPOWPQEG-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001055534269 1219070502 /nfs/dbraw/zinc/07/05/02/1219070502.db2.gz FHKUWGSINZBYAE-BHYGNILZSA-N 2 0 368.522 0.448 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065639 1225862903 /nfs/dbraw/zinc/86/29/03/1225862903.db2.gz KNEARRZYRPQMTL-BZUAXINKSA-N 2 0 368.522 0.496 20 0 FCADRP CC[C@H](OC)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583612 1219088349 /nfs/dbraw/zinc/08/83/49/1219088349.db2.gz VBYGKLHCJQNRKH-OIISXLGYSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)CCOC)CC2)CC[N@@H+]1C ZINC001055583715 1219088384 /nfs/dbraw/zinc/08/83/84/1219088384.db2.gz ZVUYSHMAXNZURW-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055583119 1219088398 /nfs/dbraw/zinc/08/83/98/1219088398.db2.gz YZSRKGPNBYMUAX-BPQIPLTHSA-N 2 0 362.518 0.681 20 0 FCADRP CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583682 1219088647 /nfs/dbraw/zinc/08/86/47/1219088647.db2.gz YCPWWLKHOYGFKH-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804049239 1219102204 /nfs/dbraw/zinc/10/22/04/1219102204.db2.gz CAQCTDQGYQBSKY-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000804058952 1219112679 /nfs/dbraw/zinc/11/26/79/1219112679.db2.gz HAVPZHMLZFKBSI-HOTGVXAUSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804059675 1219114036 /nfs/dbraw/zinc/11/40/36/1219114036.db2.gz JRSASMHRRDQKBL-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158492 1219244549 /nfs/dbraw/zinc/24/45/49/1219244549.db2.gz MTSXSROBYFDOIR-SQNIBIBYSA-N 2 0 369.473 0.617 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070183559 1219276598 /nfs/dbraw/zinc/27/65/98/1219276598.db2.gz MKLIWBXSSVCDMG-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070304057 1219362836 /nfs/dbraw/zinc/36/28/36/1219362836.db2.gz IKDXPOVCMAHJDU-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326838 1219376558 /nfs/dbraw/zinc/37/65/58/1219376558.db2.gz FVRXGVFVUVEITO-BBWFWOEESA-N 2 0 355.446 0.167 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070378221 1219404910 /nfs/dbraw/zinc/40/49/10/1219404910.db2.gz GFPSKXWPGHTVFW-GMBSWORKSA-N 2 0 368.497 0.916 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070475346 1219426335 /nfs/dbraw/zinc/42/63/35/1219426335.db2.gz OMUPXDOCTYWABR-CGTJXYLNSA-N 2 0 371.489 0.332 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070517094 1219449465 /nfs/dbraw/zinc/44/94/65/1219449465.db2.gz XPTACPGOGDPDBI-JQHSSLGASA-N 2 0 361.490 0.171 20 0 FCADRP COc1ccnc(CN2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277260945 1225893445 /nfs/dbraw/zinc/89/34/45/1225893445.db2.gz QMAHOBHFDBSKMI-IBGZPJMESA-N 2 0 362.474 0.703 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001070526139 1219453680 /nfs/dbraw/zinc/45/36/80/1219453680.db2.gz SJVZUWWRCFPXGA-GOEBONIOSA-N 2 0 361.446 0.265 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070629713 1219494487 /nfs/dbraw/zinc/49/44/87/1219494487.db2.gz SHSJZKBEXKUDOG-KZNAEPCWSA-N 2 0 368.485 0.994 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277274318 1225896716 /nfs/dbraw/zinc/89/67/16/1225896716.db2.gz MKPWIRMZBSSJRJ-OXFYSEKESA-N 2 0 362.518 0.870 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cncn1C ZINC001070664448 1219515570 /nfs/dbraw/zinc/51/55/70/1219515570.db2.gz RXDHHFFALVKQLM-IAOVAPTHSA-N 2 0 368.441 0.646 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070680748 1219522135 /nfs/dbraw/zinc/52/21/35/1219522135.db2.gz AGFWFNAVOHQAER-GVDBMIGSSA-N 2 0 363.506 0.418 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+]1CCCCCC1 ZINC001070697897 1219530940 /nfs/dbraw/zinc/53/09/40/1219530940.db2.gz YAXXXYWDIIDPMW-GVDBMIGSSA-N 2 0 363.506 0.561 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070706315 1219535434 /nfs/dbraw/zinc/53/54/34/1219535434.db2.gz LFXGXDMOCMRKCA-IAGOWNOFSA-N 2 0 363.506 0.823 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001070721027 1219542913 /nfs/dbraw/zinc/54/29/13/1219542913.db2.gz KKULYANCRRGDCO-GVDBMIGSSA-N 2 0 363.506 0.561 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071055647 1219596282 /nfs/dbraw/zinc/59/62/82/1219596282.db2.gz PDBPVQGNHHGDRT-RYRKJORJSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001071068415 1219599907 /nfs/dbraw/zinc/59/99/07/1219599907.db2.gz CMLOAOQOCYJTAW-NXHRZFHOSA-N 2 0 365.518 0.981 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071074516 1219600832 /nfs/dbraw/zinc/60/08/32/1219600832.db2.gz LLDPWAXVAHBYOU-QYZOEREBSA-N 2 0 365.518 0.839 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC1 ZINC001071091885 1219604361 /nfs/dbraw/zinc/60/43/61/1219604361.db2.gz ZHIYKJFBVKQQLZ-APWZRJJASA-N 2 0 366.506 0.189 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCN(C)C2=O)C3)CC[N@@H+]1C ZINC001072755154 1219621488 /nfs/dbraw/zinc/62/14/88/1219621488.db2.gz WMQOQDKHYUMRSR-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2C(=O)CCC2=O)C3)CC[N@@H+]1C ZINC001072752529 1219621704 /nfs/dbraw/zinc/62/17/04/1219621704.db2.gz OFHWPNWMVYYAFU-HUUCEWRRSA-N 2 0 362.474 0.010 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001228260384 1225905769 /nfs/dbraw/zinc/90/57/69/1225905769.db2.gz AGQXHGKQGUDUPF-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@@H+]1C ZINC001073613776 1219673509 /nfs/dbraw/zinc/67/35/09/1219673509.db2.gz MIKPGIDQEJOINU-YESZJQIVSA-N 2 0 364.494 0.216 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228341595 1225912506 /nfs/dbraw/zinc/91/25/06/1225912506.db2.gz IFPRUPCSBXDUOL-RCCFBDPRSA-N 2 0 371.522 0.369 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074603531 1219702160 /nfs/dbraw/zinc/70/21/60/1219702160.db2.gz NFVONTKJOHFOBI-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)n1 ZINC001098219400 1219742239 /nfs/dbraw/zinc/74/22/39/1219742239.db2.gz CSZKKHJQLJRODH-TVFCKZIOSA-N 2 0 360.506 0.958 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001228355961 1225914841 /nfs/dbraw/zinc/91/48/41/1225914841.db2.gz XFLIJTZFHVJZNZ-ZIAGYGMSSA-N 2 0 367.494 0.286 20 0 FCADRP CCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001098685286 1219810553 /nfs/dbraw/zinc/81/05/53/1219810553.db2.gz DUCAJGPYCSLKRR-DJIMGWMZSA-N 2 0 364.494 0.660 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)c1ccn2c[nH+]cc2c1 ZINC001098923717 1219865654 /nfs/dbraw/zinc/86/56/54/1219865654.db2.gz AYLMDXRSJPOPNZ-QOKNQOGYSA-N 2 0 353.426 0.807 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001099119168 1219920571 /nfs/dbraw/zinc/92/05/71/1219920571.db2.gz JGEOSPFIVGFDOT-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001228603218 1225935484 /nfs/dbraw/zinc/93/54/84/1225935484.db2.gz PDPSECGROWOFKF-RBSFLKMASA-N 2 0 363.462 0.972 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001099473428 1220008072 /nfs/dbraw/zinc/00/80/72/1220008072.db2.gz BLCZQAXSRMIQQT-FTRWYGJKSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)c1nnnn1C ZINC001099538181 1220027543 /nfs/dbraw/zinc/02/75/43/1220027543.db2.gz PCNMWHXVCSZILU-MPGHIAIKSA-N 2 0 361.494 0.585 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001228661787 1225941615 /nfs/dbraw/zinc/94/16/15/1225941615.db2.gz XLRKWKUVZWGAAT-HZMVEIRTSA-N 2 0 368.522 0.327 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101257383 1220251161 /nfs/dbraw/zinc/25/11/61/1220251161.db2.gz RIENEEFBRSRMBS-OGWOLHLISA-N 2 0 368.497 0.725 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279691 1220264072 /nfs/dbraw/zinc/26/40/72/1220264072.db2.gz VVPIQFPLGLBDQZ-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317045 1220284118 /nfs/dbraw/zinc/28/41/18/1220284118.db2.gz DZTLAAMXSLXJFD-FCEWJHQRSA-N 2 0 361.490 0.968 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001101342733 1220295105 /nfs/dbraw/zinc/29/51/05/1220295105.db2.gz KTQBQZNDEMIFFA-QAPCUYQASA-N 2 0 363.506 0.134 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101344822 1220295371 /nfs/dbraw/zinc/29/53/71/1220295371.db2.gz FVHGEKDDUUFSTG-GJYPPUQNSA-N 2 0 360.506 0.888 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342849 1220295817 /nfs/dbraw/zinc/29/58/17/1220295817.db2.gz PUKQBFBYDFGPCO-MDZRGWNJSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364494 1220302458 /nfs/dbraw/zinc/30/24/58/1220302458.db2.gz UVTFAAZMJYCTSJ-QKLQHJQFSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101363950 1220302725 /nfs/dbraw/zinc/30/27/25/1220302725.db2.gz HURWXLAHQDJHIK-MDYRTPRTSA-N 2 0 362.518 0.635 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101366056 1220303947 /nfs/dbraw/zinc/30/39/47/1220303947.db2.gz YRRYCEUWRBRSDT-GJYPPUQNSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101399960 1220324550 /nfs/dbraw/zinc/32/45/50/1220324550.db2.gz ADRMYZWWZNWRDS-APWZRJJASA-N 2 0 367.538 0.816 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399990 1220324609 /nfs/dbraw/zinc/32/46/09/1220324609.db2.gz AZIVJDFRZPQGGI-GJYPPUQNSA-N 2 0 360.506 0.888 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101435599 1220344457 /nfs/dbraw/zinc/34/44/57/1220344457.db2.gz YNRLEVQGJMJWNT-VCBZYWHSSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101477046 1220367874 /nfs/dbraw/zinc/36/78/74/1220367874.db2.gz AKBUQFQMAQWWCM-XLIONFOSSA-N 2 0 364.534 0.975 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982929 1220452708 /nfs/dbraw/zinc/45/27/08/1220452708.db2.gz SGVYBZUBNMIKTL-JOCBIADPSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046061 1220476509 /nfs/dbraw/zinc/47/65/09/1220476509.db2.gz KNPVXTJIRKTBON-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001102088459 1220492265 /nfs/dbraw/zinc/49/22/65/1220492265.db2.gz WIDYLNDWJQEVKR-BFYDXBDKSA-N 2 0 364.490 0.920 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276253 1220569628 /nfs/dbraw/zinc/56/96/28/1220569628.db2.gz LEFPUEZSUMIROK-ZACQAIPSSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290479 1220575431 /nfs/dbraw/zinc/57/54/31/1220575431.db2.gz GFQRCHACSSIYGP-BRWVUGGUSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320813 1220584699 /nfs/dbraw/zinc/58/46/99/1220584699.db2.gz UPQNJTIHWWUHMV-ZACQAIPSSA-N 2 0 371.522 0.179 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102369762 1220595285 /nfs/dbraw/zinc/59/52/85/1220595285.db2.gz GOJDCYLOIZGNBI-IIDMSEBBSA-N 2 0 362.522 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375622 1220600066 /nfs/dbraw/zinc/60/00/66/1220600066.db2.gz UHIJWLBGKREOJF-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375544 1220600452 /nfs/dbraw/zinc/60/04/52/1220600452.db2.gz PCTWRTOGGRRPFX-RBSFLKMASA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375543 1220600539 /nfs/dbraw/zinc/60/05/39/1220600539.db2.gz PCTWRTOGGRRPFX-KFWWJZLASA-N 2 0 364.490 0.208 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102473544 1220643811 /nfs/dbraw/zinc/64/38/11/1220643811.db2.gz FCRLTRDBYCKGFL-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102475157 1220645088 /nfs/dbraw/zinc/64/50/88/1220645088.db2.gz ADJLVQQAGYBCKQ-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489216 1220652326 /nfs/dbraw/zinc/65/23/26/1220652326.db2.gz XPRLMNSOXJENCU-IAGOWNOFSA-N 2 0 371.522 0.444 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497181 1220657699 /nfs/dbraw/zinc/65/76/99/1220657699.db2.gz FALHLNLAVFLUHQ-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP COc1ncccc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511135 1220670335 /nfs/dbraw/zinc/67/03/35/1220670335.db2.gz KTVAHFAZDSSJAW-NVXWUHKLSA-N 2 0 364.490 0.853 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513734 1220672073 /nfs/dbraw/zinc/67/20/73/1220672073.db2.gz ZHWSZXPKRSRBAD-CRAIPNDOSA-N 2 0 365.522 0.762 20 0 FCADRP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514059 1220673798 /nfs/dbraw/zinc/67/37/98/1220673798.db2.gz LFYAADIJDNXEQH-BZUAXINKSA-N 2 0 370.538 0.552 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580833 1220702620 /nfs/dbraw/zinc/70/26/20/1220702620.db2.gz NKBQUJBQSYIRTC-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993930 1220817499 /nfs/dbraw/zinc/81/74/99/1220817499.db2.gz KFZFZQFFIACUNT-NXHRZFHOSA-N 2 0 360.506 0.694 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103086495 1220831368 /nfs/dbraw/zinc/83/13/68/1220831368.db2.gz FSPOQALFCONSFQ-LSBZLQRGSA-N 2 0 364.534 0.927 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140242 1220839728 /nfs/dbraw/zinc/83/97/28/1220839728.db2.gz UFJTVQINLULVDT-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436314 1220882327 /nfs/dbraw/zinc/88/23/27/1220882327.db2.gz SVNIUZRIRHHKOE-LZLYRXPVSA-N 2 0 364.534 0.929 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001103445136 1220884892 /nfs/dbraw/zinc/88/48/92/1220884892.db2.gz ZOXBXHXFWPZUDJ-ZACQAIPSSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584419 1220908036 /nfs/dbraw/zinc/90/80/36/1220908036.db2.gz SXJDXLYBAALCPO-IAGOWNOFSA-N 2 0 371.522 0.180 20 0 FCADRP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001103643138 1220925485 /nfs/dbraw/zinc/92/54/85/1220925485.db2.gz FBNWPRWPODOBMM-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643191 1220926646 /nfs/dbraw/zinc/92/66/46/1220926646.db2.gz GGXLYXIBKQWYNP-OWCLPIDISA-N 2 0 366.510 0.529 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001103663567 1220933392 /nfs/dbraw/zinc/93/33/92/1220933392.db2.gz IBEIHPKRGJJROT-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719200 1220951459 /nfs/dbraw/zinc/95/14/59/1220951459.db2.gz UUNIOKJQZFVBNU-NXHRZFHOSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752335 1220964751 /nfs/dbraw/zinc/96/47/51/1220964751.db2.gz ABDBWANZEZSKQM-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999729 1220996462 /nfs/dbraw/zinc/99/64/62/1220996462.db2.gz JPZLEVUDZUGJKC-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001103999868 1220997133 /nfs/dbraw/zinc/99/71/33/1220997133.db2.gz NIHVTOLRCLDGJP-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104185690 1221017823 /nfs/dbraw/zinc/01/78/23/1221017823.db2.gz KHRRXJQFELJSDP-BZUAXINKSA-N 2 0 363.510 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104202598 1221021014 /nfs/dbraw/zinc/02/10/14/1221021014.db2.gz HSAOUAQEWKAODC-NXHRZFHOSA-N 2 0 360.506 0.694 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202585 1221021166 /nfs/dbraw/zinc/02/11/66/1221021166.db2.gz HFPQRNLQSSOJLP-NXHRZFHOSA-N 2 0 364.534 0.881 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111799777 1221115655 /nfs/dbraw/zinc/11/56/55/1221115655.db2.gz HUDCXHIZJNXKFJ-IEZWGBDMSA-N 2 0 358.442 0.926 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855868 1221138722 /nfs/dbraw/zinc/13/87/22/1221138722.db2.gz PWBIFQFSZZPJMI-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861200 1221140766 /nfs/dbraw/zinc/14/07/66/1221140766.db2.gz BBPUEMGUBKYYSU-DEYYWGMASA-N 2 0 367.494 0.143 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001111925853 1221172656 /nfs/dbraw/zinc/17/26/56/1221172656.db2.gz MPGJCKHWNQEVKB-SCTDSRPQSA-N 2 0 363.506 0.557 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111951143 1221181978 /nfs/dbraw/zinc/18/19/78/1221181978.db2.gz VDQQITNZHCKIDN-DEYYWGMASA-N 2 0 367.494 0.272 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001111951197 1221182744 /nfs/dbraw/zinc/18/27/44/1221182744.db2.gz XJYINKCURAAWFT-LPHOPBHVSA-N 2 0 365.522 0.714 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1 ZINC001112021327 1221202659 /nfs/dbraw/zinc/20/26/59/1221202659.db2.gz HJJCRPATWPPMLC-WMZOPIPTSA-N 2 0 363.462 0.007 20 0 FCADRP C[C@@H](NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1)C1CC1 ZINC001112021431 1221202983 /nfs/dbraw/zinc/20/29/83/1221202983.db2.gz NHICZOPMQMTGAR-ALKREAHSSA-N 2 0 359.474 0.769 20 0 FCADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112396766 1221252189 /nfs/dbraw/zinc/25/21/89/1221252189.db2.gz CPVVYFCUIZDDEW-HQRMLTQVSA-N 2 0 365.518 0.840 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229717844 1226030859 /nfs/dbraw/zinc/03/08/59/1226030859.db2.gz YRHDUHRKTJTPLV-BRWVUGGUSA-N 2 0 368.522 0.591 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3C(=O)NCC[C@@H]3C)cc2)CC1 ZINC000799346056 1221309277 /nfs/dbraw/zinc/30/92/77/1221309277.db2.gz VKRXQWVSHKUUAM-KXBFYZLASA-N 2 0 373.501 0.881 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117312831 1221514743 /nfs/dbraw/zinc/51/47/43/1221514743.db2.gz AXYSOZYUXINVRF-IAGOWNOFSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001117886807 1221641933 /nfs/dbraw/zinc/64/19/33/1221641933.db2.gz MNOOBSCNAONJTP-RBUKOAKNSA-N 2 0 372.513 0.782 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001230149547 1226059367 /nfs/dbraw/zinc/05/93/67/1226059367.db2.gz NFKGGEMTHMCPDM-KBAYOESNSA-N 2 0 363.506 0.905 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001118044032 1221697308 /nfs/dbraw/zinc/69/73/08/1221697308.db2.gz YWXYOYRAWLTYCZ-UHFFFAOYSA-N 2 0 373.501 0.896 20 0 FCADRP [NH3+]CCN(CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC001118286249 1221751433 /nfs/dbraw/zinc/75/14/33/1221751433.db2.gz CJQRVBTWIHRRHQ-LJQANCHMSA-N 2 0 360.502 0.628 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001230263166 1226069705 /nfs/dbraw/zinc/06/97/05/1226069705.db2.gz KJIHDLFHTDXTCW-IAGOWNOFSA-N 2 0 365.522 0.905 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118678844 1221818290 /nfs/dbraw/zinc/81/82/90/1221818290.db2.gz RVLIQIMJNLDQOV-IRXDYDNUSA-N 2 0 364.490 0.053 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001230284502 1226071916 /nfs/dbraw/zinc/07/19/16/1226071916.db2.gz IHOVMBNAAMFZNU-GVDBMIGSSA-N 2 0 368.522 0.591 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC001119349229 1221902966 /nfs/dbraw/zinc/90/29/66/1221902966.db2.gz NFLOBLFWUWTFNL-ZACQAIPSSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362806 1221906668 /nfs/dbraw/zinc/90/66/68/1221906668.db2.gz PKVVELYAZUHAPL-LZLYRXPVSA-N 2 0 360.502 0.985 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC001120394710 1222077470 /nfs/dbraw/zinc/07/74/70/1222077470.db2.gz QFPSIWQQJZWJMY-UHFFFAOYSA-N 2 0 359.474 0.322 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC001120557701 1222104044 /nfs/dbraw/zinc/10/40/44/1222104044.db2.gz MJSZPDVKODEYMB-QAPCUYQASA-N 2 0 361.490 0.349 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)N1CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C1)C2 ZINC001120584638 1222106713 /nfs/dbraw/zinc/10/67/13/1222106713.db2.gz PUKULKPIIRCFPB-VICYEXPPSA-N 2 0 363.506 0.546 20 0 FCADRP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001123696011 1222350907 /nfs/dbraw/zinc/35/09/07/1222350907.db2.gz YYZQKDCRTGEDDT-XYJFISCASA-N 2 0 360.506 0.936 20 0 FCADRP CCC[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2C1 ZINC001161176333 1222406105 /nfs/dbraw/zinc/40/61/05/1222406105.db2.gz SZLLMDGWFMOVCD-KSZLIROESA-N 2 0 358.486 0.473 20 0 FCADRP Cn1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC001231766838 1226124055 /nfs/dbraw/zinc/12/40/55/1226124055.db2.gz IFQCOXUNXNDRKK-UHFFFAOYSA-N 2 0 364.490 0.408 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3cc(O)cc(O)c3)CC[C@@H]2C1 ZINC001138327286 1222500516 /nfs/dbraw/zinc/50/05/16/1222500516.db2.gz TYINYHZWOAKDKQ-CRAIPNDOSA-N 2 0 363.458 0.709 20 0 FCADRP O=C1CC[C@H](CN2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)N1 ZINC001202830352 1222508632 /nfs/dbraw/zinc/50/86/32/1222508632.db2.gz BFBYERHSFMIBPT-OAHLLOKOSA-N 2 0 362.478 0.375 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2ccc(N3CC[NH+](C)CC3)nc2)CCC1=O ZINC001232360953 1226149150 /nfs/dbraw/zinc/14/91/50/1226149150.db2.gz AWVJGYWNZBSOCZ-UHFFFAOYSA-N 2 0 374.533 0.429 20 0 FCADRP COC(=O)c1cccc2[nH]nc(CN3CCC(=O)N(CC[NH+](C)C)CC3)c21 ZINC001232438767 1226152299 /nfs/dbraw/zinc/15/22/99/1226152299.db2.gz BRIROJGTGAHURU-UHFFFAOYSA-N 2 0 373.457 0.945 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000841149455 1222809917 /nfs/dbraw/zinc/80/99/17/1222809917.db2.gz KSWNSKAVMSOOQN-UHFFFAOYSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC[NH2+]1 ZINC000841172910 1222811840 /nfs/dbraw/zinc/81/18/40/1222811840.db2.gz DHAJHAPMXRTJJN-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841170331 1222811870 /nfs/dbraw/zinc/81/18/70/1222811870.db2.gz UOIYESCEBGKOTI-INIZCTEOSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000841173341 1222811914 /nfs/dbraw/zinc/81/19/14/1222811914.db2.gz VUPLIXGSJQXOKL-UHFFFAOYSA-N 2 0 359.474 0.491 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000841171604 1222812073 /nfs/dbraw/zinc/81/20/73/1222812073.db2.gz TXSIKGWJMOWHMD-UHFFFAOYSA-N 2 0 373.501 0.835 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000841227872 1222815087 /nfs/dbraw/zinc/81/50/87/1222815087.db2.gz IIMFMSBBJVALAZ-IYBDPMFKSA-N 2 0 371.485 0.445 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000841229966 1222815203 /nfs/dbraw/zinc/81/52/03/1222815203.db2.gz TVROSIXTNHOSLR-HZPDHXFCSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000841233806 1222815503 /nfs/dbraw/zinc/81/55/03/1222815503.db2.gz HTABJCMNLUXYCV-HXUWFJFHSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841897317 1222830834 /nfs/dbraw/zinc/83/08/34/1222830834.db2.gz XAXGHXWRJLOIOB-FQEVSTJZSA-N 2 0 373.501 0.630 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164671 1222838153 /nfs/dbraw/zinc/83/81/53/1222838153.db2.gz MGYRKXULOWAKRO-ZWKOTPCHSA-N 2 0 374.485 0.343 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000842215467 1222842920 /nfs/dbraw/zinc/84/29/20/1222842920.db2.gz VAKVCXKRTWPCOY-SFHVURJKSA-N 2 0 358.486 0.937 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000842513397 1222848556 /nfs/dbraw/zinc/84/85/56/1222848556.db2.gz XTAZZPRVZPPYFS-IXDOHACOSA-N 2 0 357.458 0.433 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843206689 1222860424 /nfs/dbraw/zinc/86/04/24/1222860424.db2.gz DIDMXGMZSDFVTE-OAHLLOKOSA-N 2 0 358.446 0.804 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386200 1222874786 /nfs/dbraw/zinc/87/47/86/1222874786.db2.gz DVCFXBDSTMGDAF-DLBZAZTESA-N 2 0 366.506 0.999 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001143317613 1222877705 /nfs/dbraw/zinc/87/77/05/1222877705.db2.gz ZGYIYXMBEONBKL-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1nc(N)ccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277696491 1226160514 /nfs/dbraw/zinc/16/05/14/1226160514.db2.gz WIHCDTXVUCWGBC-IBGZPJMESA-N 2 0 361.490 0.585 20 0 FCADRP CNC(=O)[C@@H](C)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151138059 1222917556 /nfs/dbraw/zinc/91/75/56/1222917556.db2.gz RWYLYANKKFEOCA-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](C[C@@H](O)COC)CC1 ZINC001151138043 1222917767 /nfs/dbraw/zinc/91/77/67/1222917767.db2.gz RITKKXBSRICBKO-BRWVUGGUSA-N 2 0 371.522 0.321 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001153507069 1222978313 /nfs/dbraw/zinc/97/83/13/1222978313.db2.gz LHPNUSKURRMDRZ-QLFBSQMISA-N 2 0 367.494 0.095 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)C1 ZINC001157098860 1223067977 /nfs/dbraw/zinc/06/79/77/1223067977.db2.gz CPYLJGFZRVITAR-CYBMUJFWSA-N 2 0 363.466 0.931 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001157323274 1223073808 /nfs/dbraw/zinc/07/38/08/1223073808.db2.gz NWOOBJXINFBGRL-DLBZAZTESA-N 2 0 374.485 0.696 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001157322954 1223074021 /nfs/dbraw/zinc/07/40/21/1223074021.db2.gz GDKVRJPGCHHSLA-HOTGVXAUSA-N 2 0 363.506 0.242 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157530315 1223078242 /nfs/dbraw/zinc/07/82/42/1223078242.db2.gz DWRSRZVRDFFUKZ-IKGGRYGDSA-N 2 0 361.421 0.435 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157610079 1223079214 /nfs/dbraw/zinc/07/92/14/1223079214.db2.gz NZNWBIHCQNCNNU-SOLBZPMBSA-N 2 0 358.486 0.438 20 0 FCADRP [NH3+][C@@H](Cc1cccc2ccccc21)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102734 1223088981 /nfs/dbraw/zinc/08/89/81/1223088981.db2.gz WJEODXXEFZOWAT-PXNSSMCTSA-N 2 0 352.438 0.400 20 0 FCADRP COc1ccc(C2(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)CC[NH2+]CC2)cc1 ZINC001158101049 1223089275 /nfs/dbraw/zinc/08/92/75/1223089275.db2.gz GOLOLVMNJTUNPN-LJQANCHMSA-N 2 0 372.469 0.007 20 0 FCADRP O=C([C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120474 1223089391 /nfs/dbraw/zinc/08/93/91/1223089391.db2.gz NFYHCENAUFABKV-XGHQBKJUSA-N 2 0 368.481 0.460 20 0 FCADRP O=C(c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158167043 1223090073 /nfs/dbraw/zinc/09/00/73/1223090073.db2.gz HQMGEICLYWLJGO-DLBZAZTESA-N 2 0 354.454 0.844 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159792 1223090350 /nfs/dbraw/zinc/09/03/50/1223090350.db2.gz CFTJXGOASBSDGA-KBXCAEBGSA-N 2 0 360.462 0.059 20 0 FCADRP [NH3+]Cc1cc(N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)ncn1 ZINC001158216648 1223091220 /nfs/dbraw/zinc/09/12/20/1223091220.db2.gz NNFKOWXPRSGYRK-UHFFFAOYSA-N 2 0 374.470 0.886 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]1 ZINC001158214794 1223091228 /nfs/dbraw/zinc/09/12/28/1223091228.db2.gz CPGFXCIOTRPCKB-XLAORIBOSA-N 2 0 356.470 0.429 20 0 FCADRP O=C([C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260833 1223092526 /nfs/dbraw/zinc/09/25/26/1223092526.db2.gz IEGNLVYBFJALCQ-RYUDHWBXSA-N 2 0 372.395 0.630 20 0 FCADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001158281877 1223093409 /nfs/dbraw/zinc/09/34/09/1223093409.db2.gz FACPHLDDQGGAQQ-SJORKVTESA-N 2 0 364.494 0.158 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3ncc4c3cccc4C[NH3+])n1)CC[NH2+]CC2 ZINC001158303176 1223094134 /nfs/dbraw/zinc/09/41/34/1223094134.db2.gz UOOIKHKWRSKLAZ-UHFFFAOYSA-N 2 0 372.454 0.366 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001158499059 1223100926 /nfs/dbraw/zinc/10/09/26/1223100926.db2.gz VGJJYLDQXAJQRX-QCEMKRCNSA-N 2 0 371.441 0.185 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c2ccco2)CC1 ZINC001158534847 1223101794 /nfs/dbraw/zinc/10/17/94/1223101794.db2.gz UTTAWVPGBFPQDH-JYJIFUJCSA-N 2 0 374.485 0.723 20 0 FCADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535130 1223101961 /nfs/dbraw/zinc/10/19/61/1223101961.db2.gz VWUYABGLVWCHNA-SOAMZJECSA-N 2 0 359.470 0.900 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548281 1223102162 /nfs/dbraw/zinc/10/21/62/1223102162.db2.gz RWXULZJWPBOYIF-GNUPYSACSA-N 2 0 357.454 0.861 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555267 1223102228 /nfs/dbraw/zinc/10/22/28/1223102228.db2.gz KXXSXEYANNJEPC-DMUMMCEESA-N 2 0 357.454 0.743 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001158641596 1223103658 /nfs/dbraw/zinc/10/36/58/1223103658.db2.gz KEBBMXAPRVOXRF-KBXCAEBGSA-N 2 0 361.446 0.339 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158657296 1223104390 /nfs/dbraw/zinc/10/43/90/1223104390.db2.gz ASYVENWQVAULOK-UHFFFAOYSA-N 2 0 372.433 0.297 20 0 FCADRP Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@]45C[NH2+]C[C@H]4C[NH2+]CC5)C[C@H]3O2)n1 ZINC001158692504 1223104872 /nfs/dbraw/zinc/10/48/72/1223104872.db2.gz GFBYUDZWAAHKOU-CGSPGFDNSA-N 2 0 361.446 0.256 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759543 1223107379 /nfs/dbraw/zinc/10/73/79/1223107379.db2.gz QBZDMNGIRDURQN-OAHLLOKOSA-N 2 0 356.474 0.247 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001158855510 1223111681 /nfs/dbraw/zinc/11/16/81/1223111681.db2.gz GLASSQKDPGNLIX-HNNXBMFYSA-N 2 0 359.478 0.438 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903787 1223112438 /nfs/dbraw/zinc/11/24/38/1223112438.db2.gz OYAOEYIDUHHTOO-DHSIGJKJSA-N 3 0 365.453 0.531 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])Cc1cccc(O)c1)CC2 ZINC001158890949 1223112476 /nfs/dbraw/zinc/11/24/76/1223112476.db2.gz QXPWFDJRFKONQY-QGZVFWFLSA-N 2 0 374.485 0.465 20 0 FCADRP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158957899 1223113534 /nfs/dbraw/zinc/11/35/34/1223113534.db2.gz AYIMSWHJWXNUMW-OAHLLOKOSA-N 2 0 363.462 0.367 20 0 FCADRP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159125799 1223117704 /nfs/dbraw/zinc/11/77/04/1223117704.db2.gz ITQAWVCZLRSJET-HOCLYGCPSA-N 2 0 364.494 0.482 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159136381 1223118211 /nfs/dbraw/zinc/11/82/11/1223118211.db2.gz WFFZNDYFAMNSLR-OWCLPIDISA-N 2 0 360.462 0.033 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[C@@H]1CCC[NH2+]C1)CC2 ZINC001159190367 1223120129 /nfs/dbraw/zinc/12/01/29/1223120129.db2.gz JGLTXHOALVZDSW-ZDUSSCGKSA-N 2 0 363.462 0.240 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C=C2CC[NH2+]CC2)CC3)CC1 ZINC001159424209 1223126715 /nfs/dbraw/zinc/12/67/15/1223126715.db2.gz FGWDGZXKRSXJMU-UHFFFAOYSA-N 2 0 358.490 0.283 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC001159437019 1223127339 /nfs/dbraw/zinc/12/73/39/1223127339.db2.gz QTTMNLQHPSPUJN-INIZCTEOSA-N 2 0 369.444 0.952 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CCC2 ZINC001159482200 1223127727 /nfs/dbraw/zinc/12/77/27/1223127727.db2.gz ZZZYMKRANPOLDX-HZPDHXFCSA-N 2 0 361.490 0.943 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])CC(F)F)CCC2 ZINC001159481367 1223127792 /nfs/dbraw/zinc/12/77/92/1223127792.db2.gz MPVNDRMRLKWTCP-ZDUSSCGKSA-N 2 0 371.432 0.798 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159472865 1223128051 /nfs/dbraw/zinc/12/80/51/1223128051.db2.gz ZKWXXCMKGCMESR-ZIFCJYIRSA-N 3 0 362.518 0.002 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514727 1223129154 /nfs/dbraw/zinc/12/91/54/1223129154.db2.gz JSXMESOBCAPYMT-AWEZNQCLSA-N 2 0 360.466 0.102 20 0 FCADRP C[NH2+][C@H]1CCCN(CC(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)C1 ZINC001159561167 1223129937 /nfs/dbraw/zinc/12/99/37/1223129937.db2.gz XSNLXOWGQDIAJH-KRWDZBQOSA-N 2 0 374.533 0.941 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666081 1223132981 /nfs/dbraw/zinc/13/29/81/1223132981.db2.gz OYUNYUHLQVYGHQ-FGTMMUONSA-N 2 0 370.457 0.176 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677013 1223133541 /nfs/dbraw/zinc/13/35/41/1223133541.db2.gz AZRMDQAKFHFIKL-INIZCTEOSA-N 2 0 361.490 0.736 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799689 1223137092 /nfs/dbraw/zinc/13/70/92/1223137092.db2.gz SWCRFFBKVDFBGY-YOEHRIQHSA-N 2 0 357.462 0.065 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856317 1223138071 /nfs/dbraw/zinc/13/80/71/1223138071.db2.gz SWJRGHKOAJHQEU-NXHRZFHOSA-N 2 0 373.432 0.783 20 0 FCADRP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C[NH2+]CCC[NH3+])C[C@H]12 ZINC001159993447 1223142568 /nfs/dbraw/zinc/14/25/68/1223142568.db2.gz OZPSGRLAERVYCR-ICSRJNTNSA-N 2 0 358.486 0.716 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2)CC1 ZINC001160034935 1223143119 /nfs/dbraw/zinc/14/31/19/1223143119.db2.gz LVIYYMPFBIKBDZ-HXUWFJFHSA-N 2 0 372.513 0.818 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160083787 1223144513 /nfs/dbraw/zinc/14/45/13/1223144513.db2.gz CEEVCELQLATIAP-UWVAXJGDSA-N 2 0 373.501 0.653 20 0 FCADRP O=C(N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160137211 1223146471 /nfs/dbraw/zinc/14/64/71/1223146471.db2.gz BZAKYNOMHLJZAU-GSXURMFVSA-N 2 0 371.485 0.133 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2C[NH2+]CCN2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172023 1223147220 /nfs/dbraw/zinc/14/72/20/1223147220.db2.gz SUEFCMZWUZRWIT-GOSISDBHSA-N 2 0 366.469 0.699 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001160155820 1223147390 /nfs/dbraw/zinc/14/73/90/1223147390.db2.gz LREPTMZHVWLYHP-KRWDZBQOSA-N 2 0 358.486 0.924 20 0 FCADRP Cc1ccc(N(C(=O)[C@]2(N)CC[NH2+]C2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171657 1223147490 /nfs/dbraw/zinc/14/74/90/1223147490.db2.gz QADLHXBISCMBGQ-FQEVSTJZSA-N 2 0 366.469 0.829 20 0 FCADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155133 1223147571 /nfs/dbraw/zinc/14/75/71/1223147571.db2.gz DSFDJBVYARXUTF-MKXGPGLRSA-N 2 0 362.518 0.382 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2[NH2+]CC[C@H]2O)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160170851 1223147581 /nfs/dbraw/zinc/14/75/81/1223147581.db2.gz CSLJOUWUMNQMBD-MSOLQXFVSA-N 2 0 367.453 0.861 20 0 FCADRP CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160271711 1223152862 /nfs/dbraw/zinc/15/28/62/1223152862.db2.gz XBOHLGYAQWRGAY-HOTGVXAUSA-N 2 0 368.522 0.566 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160313041 1223154456 /nfs/dbraw/zinc/15/44/56/1223154456.db2.gz ZEWHQFYLSLGIMP-LJQANCHMSA-N 2 0 374.441 0.309 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356581 1223156742 /nfs/dbraw/zinc/15/67/42/1223156742.db2.gz DEXUJKDKDFVUIW-KSSFIOAISA-N 2 0 364.446 0.179 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1CC[NH2+]C[C@H]1F)CCC2 ZINC001160370961 1223156778 /nfs/dbraw/zinc/15/67/78/1223156778.db2.gz DROSXPXUZLFXAS-HUUCEWRRSA-N 2 0 367.469 0.641 20 0 FCADRP O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001160413482 1223158047 /nfs/dbraw/zinc/15/80/47/1223158047.db2.gz ZGLUHZCOPOKDOL-OWCLPIDISA-N 2 0 372.469 0.827 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc[nH+]cc1 ZINC001160612420 1223166659 /nfs/dbraw/zinc/16/66/59/1223166659.db2.gz GIYGNVGTWDOZHH-HNNXBMFYSA-N 2 0 365.478 0.877 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)CCO1 ZINC001160643456 1223167037 /nfs/dbraw/zinc/16/70/37/1223167037.db2.gz IJIASOSENAARQK-LPHOPBHVSA-N 2 0 372.469 0.955 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001160669968 1223168151 /nfs/dbraw/zinc/16/81/51/1223168151.db2.gz OWZXFJCDQRAQCI-QZTJIDSGSA-N 2 0 364.534 0.774 20 0 FCADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001160697780 1223168902 /nfs/dbraw/zinc/16/89/02/1223168902.db2.gz CSSZMGDOERUNMO-CJNGLKHVSA-N 2 0 358.446 0.462 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C[C@H]2C1 ZINC001160704871 1223169268 /nfs/dbraw/zinc/16/92/68/1223169268.db2.gz PTZFDBNFOYGJBB-RDGPPVDQSA-N 2 0 370.497 0.486 20 0 FCADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787567 1223172353 /nfs/dbraw/zinc/17/23/53/1223172353.db2.gz LHDRYBZQSSQOFP-HIFRSBDPSA-N 2 0 361.446 0.273 20 0 FCADRP C[NH2+][C@H](C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1)c1ccccc1 ZINC001160792220 1223172952 /nfs/dbraw/zinc/17/29/52/1223172952.db2.gz TZCAZHZLGSUYBS-SUFIHLRJSA-N 2 0 357.454 0.804 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CC34CCC[NH+]3CCC4)C[C@H]1C2 ZINC001160792501 1223173244 /nfs/dbraw/zinc/17/32/44/1223173244.db2.gz VQJGYGOQORJPGT-ASKKUZCQSA-N 2 0 361.486 0.862 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)Cc3ccc(CC[NH3+])cc3)C[C@H]1C[NH2+]CC2 ZINC001160814164 1223175309 /nfs/dbraw/zinc/17/53/09/1223175309.db2.gz WSNKNKSMAKPMBE-YLJYHZDGSA-N 2 0 359.470 0.732 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H](C)[C@@H](OC)[C@@H]3CCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160812787 1223175363 /nfs/dbraw/zinc/17/53/63/1223175363.db2.gz SDVGXDKNLXWRCV-RUEZSYAVSA-N 2 0 367.490 0.391 20 0 FCADRP O=C(N1CCc2nn(-c3ccccc3)cc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160834031 1223176676 /nfs/dbraw/zinc/17/66/76/1223176676.db2.gz VTYNLKFOBPCHDY-OXQOHEQNSA-N 2 0 351.454 0.956 20 0 FCADRP CC(C)(C)OC(=O)CC1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160886341 1223179027 /nfs/dbraw/zinc/17/90/27/1223179027.db2.gz JHWZVCKFLJKGHQ-MRXNPFEDSA-N 2 0 368.522 0.707 20 0 FCADRP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160939936 1223181265 /nfs/dbraw/zinc/18/12/65/1223181265.db2.gz IBHBYCPXSZPSJP-WIYYLYMNSA-N 2 0 370.497 0.489 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(COCc3ccccc3)cn2)CC[NH2+]1 ZINC001161014545 1223182889 /nfs/dbraw/zinc/18/28/89/1223182889.db2.gz GZRRQKWBJVFQDF-QAPCUYQASA-N 2 0 357.458 0.748 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])CC[NH2+]1 ZINC001161015925 1223183297 /nfs/dbraw/zinc/18/32/97/1223183297.db2.gz MHDRYIRGEJNZCY-CXAGYDPISA-N 2 0 371.485 0.753 20 0 FCADRP N[C@@]1(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001161089130 1223185254 /nfs/dbraw/zinc/18/52/54/1223185254.db2.gz FAVXUWVBCWJIQL-IBGZPJMESA-N 2 0 354.458 0.796 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001161165484 1223187864 /nfs/dbraw/zinc/18/78/64/1223187864.db2.gz OHWQIPOHWUSWMC-GOSISDBHSA-N 2 0 356.474 0.689 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1cn(C)c2ccccc12 ZINC001161158180 1223187961 /nfs/dbraw/zinc/18/79/61/1223187961.db2.gz QVADKTWDLBHDSQ-INIZCTEOSA-N 2 0 360.458 0.789 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222097 1223190017 /nfs/dbraw/zinc/19/00/17/1223190017.db2.gz VHJWULWZGMHJFJ-WKULXVSPSA-N 2 0 356.470 0.224 20 0 FCADRP O=C(NC1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1cccc(F)c1 ZINC001161253107 1223193007 /nfs/dbraw/zinc/19/30/07/1223193007.db2.gz RTOYFUCWTUOZKB-INIZCTEOSA-N 2 0 360.433 0.356 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001161253447 1223193012 /nfs/dbraw/zinc/19/30/12/1223193012.db2.gz SSOYWULDNDBWND-ZACQAIPSSA-N 2 0 371.485 0.941 20 0 FCADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271188 1223193545 /nfs/dbraw/zinc/19/35/45/1223193545.db2.gz WZDWEQXMBPDCSM-IRXDYDNUSA-N 2 0 371.485 0.278 20 0 FCADRP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC001161352891 1223196533 /nfs/dbraw/zinc/19/65/33/1223196533.db2.gz GGLQCSCMMDQAOQ-JYJNAYRXSA-N 2 0 368.522 0.719 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378301 1223197284 /nfs/dbraw/zinc/19/72/84/1223197284.db2.gz LUCIQPVBGVOBKT-RTBURBONSA-N 2 0 373.545 0.906 20 0 FCADRP COc1cc(N(C(=O)[C@@H]([NH3+])Cc2cncn2C)C2CC[NH2+]CC2)ccn1 ZINC001161387102 1223197774 /nfs/dbraw/zinc/19/77/74/1223197774.db2.gz ZXNLUWBSLAUZQX-INIZCTEOSA-N 2 0 358.446 0.479 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3cccc(CN4CC[NH2+]CC4)c3)C2)CC1 ZINC001161381879 1223197903 /nfs/dbraw/zinc/19/79/03/1223197903.db2.gz QOJJCSNNAKUAQO-HXUWFJFHSA-N 2 0 371.529 0.729 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001161445049 1223199620 /nfs/dbraw/zinc/19/96/20/1223199620.db2.gz MOGBBDTWSSFZJA-MJGOQNOKSA-N 4 0 365.566 0.593 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161444900 1223199711 /nfs/dbraw/zinc/19/97/11/1223199711.db2.gz LWLNOXUMGLOJGU-HOTGVXAUSA-N 3 0 370.538 0.968 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC001161449143 1223199886 /nfs/dbraw/zinc/19/98/86/1223199886.db2.gz KBIFJYFRPKWIKL-IAGOWNOFSA-N 3 0 368.522 0.389 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1ccc(C)cc1C)CC2 ZINC001161479962 1223200665 /nfs/dbraw/zinc/20/06/65/1223200665.db2.gz RGEJMXDXBGUWED-ABSDTBQOSA-N 2 0 359.470 0.927 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)CC2 ZINC001161479933 1223200754 /nfs/dbraw/zinc/20/07/54/1223200754.db2.gz RANZPXISSQKNDU-FCEWJHQRSA-N 2 0 361.442 0.319 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)CC2 ZINC001161479932 1223200848 /nfs/dbraw/zinc/20/08/48/1223200848.db2.gz RANZPXISSQKNDU-BXWFABGCSA-N 2 0 361.442 0.319 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1cccnc1O[C@H]1CC[NH2+]C1)CC2 ZINC001161477679 1223200857 /nfs/dbraw/zinc/20/08/57/1223200857.db2.gz FYBLXYLOHHWTOD-OHNRDTAOSA-N 2 0 374.441 0.190 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1ccc3c(c1)CC[NH2+]CC3)CC2 ZINC001161483491 1223201258 /nfs/dbraw/zinc/20/12/58/1223201258.db2.gz MZLGXAWABZSJJR-PXNSSMCTSA-N 2 0 357.454 0.742 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(OC)ccc31)CC2 ZINC001161481656 1223201484 /nfs/dbraw/zinc/20/14/84/1223201484.db2.gz YVFMJMBROWZSJZ-QKLQHJQFSA-N 2 0 373.453 0.636 20 0 FCADRP C[C@]1(C[NH3+])CCCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001161488821 1223202113 /nfs/dbraw/zinc/20/21/13/1223202113.db2.gz OFIGHJLWCMVNRL-CRAIPNDOSA-N 2 0 358.446 0.591 20 0 FCADRP C[N@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161501001 1223202461 /nfs/dbraw/zinc/20/24/61/1223202461.db2.gz WNIWHNRDGHMKOH-PLMTUMEDSA-N 2 0 370.497 0.644 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](c2cc3ccccc3o2)N2CC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493313 1223202743 /nfs/dbraw/zinc/20/27/43/1223202743.db2.gz KOGHYGJOEUXSAJ-LTCOOKNTSA-N 2 0 358.442 0.691 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)C1=O ZINC001161584739 1223205103 /nfs/dbraw/zinc/20/51/03/1223205103.db2.gz LXKCAHJEFJODHR-SFHVURJKSA-N 2 0 370.497 0.990 20 0 FCADRP COC(=O)c1cnc2c(c1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001161572429 1223205113 /nfs/dbraw/zinc/20/51/13/1223205113.db2.gz NWASEPUTPUAURS-MRXNPFEDSA-N 2 0 358.442 0.627 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001162537586 1223217983 /nfs/dbraw/zinc/21/79/83/1223217983.db2.gz ORSKRWCFNYRTDL-GFCCVEGCSA-N 2 0 355.402 0.975 20 0 FCADRP [NH3+]CCCC[C@H](Nc1ccc(N2CC[NH2+]CC2)nn1)C(=O)N1CCCC1 ZINC001163456376 1223230570 /nfs/dbraw/zinc/23/05/70/1223230570.db2.gz ZMRIPKUQDFCILJ-HNNXBMFYSA-N 2 0 361.494 0.418 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001164583395 1223240327 /nfs/dbraw/zinc/24/03/27/1223240327.db2.gz YIZYVOXTIYNDJB-SOUVJXGZSA-N 2 0 364.490 0.398 20 0 FCADRP CCOC(=O)[C@@]12CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001165172160 1223242976 /nfs/dbraw/zinc/24/29/76/1223242976.db2.gz HOMNPMQFGJDMKQ-UZLBHIALSA-N 2 0 373.501 0.812 20 0 FCADRP [NH3+]C1CCN(c2ccnc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n2)CC1 ZINC001165311498 1223244252 /nfs/dbraw/zinc/24/42/52/1223244252.db2.gz NNLXJRPTPZIVGZ-UHFFFAOYSA-N 2 0 369.477 0.095 20 0 FCADRP CC(C)N(c1cncc(N2CC[NH2+]CC2)n1)c1ncnc2c1CC[NH2+]CC2 ZINC001165511147 1223247349 /nfs/dbraw/zinc/24/73/49/1223247349.db2.gz YXZGBXPDFBUYMM-UHFFFAOYSA-N 2 0 368.489 0.911 20 0 FCADRP Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)ncn1 ZINC001165729082 1223255251 /nfs/dbraw/zinc/25/52/51/1223255251.db2.gz YKTCEPUGTOCKDW-NVXWUHKLSA-N 2 0 361.490 0.880 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165935153 1223261864 /nfs/dbraw/zinc/26/18/64/1223261864.db2.gz BFZUWVJJNIUDPP-LBPRGKRZSA-N 2 0 367.457 0.578 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1noc2c1COCC2 ZINC001166969594 1223290440 /nfs/dbraw/zinc/29/04/40/1223290440.db2.gz XVZBWJNDKLQTSX-CHWSQXEVSA-N 2 0 359.430 0.880 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205151323 1223312649 /nfs/dbraw/zinc/31/26/49/1223312649.db2.gz RANRIFDMXCBLBV-QZTJIDSGSA-N 2 0 363.502 0.783 20 0 FCADRP C[N@H+](CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001205151762 1223313449 /nfs/dbraw/zinc/31/34/49/1223313449.db2.gz XHEPEHXSRDDICH-RTBURBONSA-N 2 0 361.486 0.537 20 0 FCADRP O=C(C[NH+]1CCCC1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205216643 1223317551 /nfs/dbraw/zinc/31/75/51/1223317551.db2.gz IKXZSVHCZVMLEA-RTBURBONSA-N 2 0 361.486 0.539 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205318788 1223319503 /nfs/dbraw/zinc/31/95/03/1223319503.db2.gz RSWFEDDOWHFKBK-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cccc(F)c1 ZINC001205458600 1223324523 /nfs/dbraw/zinc/32/45/23/1223324523.db2.gz OMHZYHCIYUVJCW-JKSUJKDBSA-N 2 0 359.405 0.352 20 0 FCADRP CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1 ZINC001205528771 1223331072 /nfs/dbraw/zinc/33/10/72/1223331072.db2.gz RBBDLZVSQFUZID-UHFFFAOYSA-N 2 0 362.522 0.573 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4cc[nH]c4n3)C2)OCC1=O ZINC001276511572 1223424659 /nfs/dbraw/zinc/42/46/59/1223424659.db2.gz SZUSWALHFNKNJJ-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207231610 1223427181 /nfs/dbraw/zinc/42/71/81/1223427181.db2.gz MOSRGWQEIIJIDS-QLFBSQMISA-N 2 0 370.469 0.252 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)CC1 ZINC001207395555 1223441769 /nfs/dbraw/zinc/44/17/69/1223441769.db2.gz UUBVBFPMEULHGN-BRWVUGGUSA-N 2 0 359.474 0.951 20 0 FCADRP c1cncc(CN2CCOC[C@@]3(C[N@H+](CC4CC[NH2+]CC4)CCO3)C2)c1 ZINC001207437034 1223446658 /nfs/dbraw/zinc/44/66/58/1223446658.db2.gz OKTRMMDJJHHJIH-FQEVSTJZSA-N 2 0 360.502 0.984 20 0 FCADRP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CCC2)C1CC1 ZINC001207437193 1223446884 /nfs/dbraw/zinc/44/68/84/1223446884.db2.gz QFBURMYHMXLOHT-UHFFFAOYSA-N 2 0 359.474 0.475 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001207537489 1223452665 /nfs/dbraw/zinc/45/26/65/1223452665.db2.gz BUOWRMIUAQEMEB-BPQIPLTHSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001207537490 1223452694 /nfs/dbraw/zinc/45/26/94/1223452694.db2.gz BUOWRMIUAQEMEB-KBAYOESNSA-N 2 0 364.534 0.927 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705636 1223472661 /nfs/dbraw/zinc/47/26/61/1223472661.db2.gz GASUQCMPVNLDLM-IAGOWNOFSA-N 2 0 371.522 0.444 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001208995529 1223590645 /nfs/dbraw/zinc/59/06/45/1223590645.db2.gz LJWHWYCPXHPMJJ-OWCLPIDISA-N 2 0 364.494 0.978 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209333614 1223611556 /nfs/dbraw/zinc/61/15/56/1223611556.db2.gz JPBPGRGLNUWIHD-ZOCIIQOWSA-N 2 0 360.502 0.816 20 0 FCADRP C[C@@H](C(=O)NC1CC1)N1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830236 1223651984 /nfs/dbraw/zinc/65/19/84/1223651984.db2.gz VFBILZXROWUWNI-JKIFEVAISA-N 2 0 366.506 0.201 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329888 1223683112 /nfs/dbraw/zinc/68/31/12/1223683112.db2.gz JPSLSVGZCHFJJQ-HUUCEWRRSA-N 2 0 365.522 0.616 20 0 FCADRP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684804 1223693546 /nfs/dbraw/zinc/69/35/46/1223693546.db2.gz FCPNSPQHIFUZEJ-JXFKEZNVSA-N 2 0 359.470 0.954 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528711 1223695562 /nfs/dbraw/zinc/69/55/62/1223695562.db2.gz CWUBXXHOMWAQSV-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054167 1223722454 /nfs/dbraw/zinc/72/24/54/1223722454.db2.gz IPYYYQFDHTUSBX-RVKKMQEKSA-N 2 0 363.506 0.633 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](NC(=O)CCCn2ccnc2C)[C@H](OC)C1 ZINC001213576194 1223816559 /nfs/dbraw/zinc/81/65/59/1223816559.db2.gz JKBPAXBKOXKWIK-HZPDHXFCSA-N 2 0 365.478 0.265 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638623 1223826361 /nfs/dbraw/zinc/82/63/61/1223826361.db2.gz XHOOBYKAVYHLQM-QZTJIDSGSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728836 1223840217 /nfs/dbraw/zinc/84/02/17/1223840217.db2.gz VJYLFSZTIORURH-BRWVUGGUSA-N 2 0 367.490 0.093 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1OC ZINC001213768893 1223846787 /nfs/dbraw/zinc/84/67/87/1223846787.db2.gz FFSUMFNBBZUQEM-IAGOWNOFSA-N 2 0 366.510 0.606 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213802017 1223852420 /nfs/dbraw/zinc/85/24/20/1223852420.db2.gz KOPCPCQWNCMCKZ-QZTJIDSGSA-N 2 0 364.490 0.985 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868510 1223864969 /nfs/dbraw/zinc/86/49/69/1223864969.db2.gz YSYFBZGHJKZVNY-QZTJIDSGSA-N 2 0 371.522 0.731 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922202 1223873219 /nfs/dbraw/zinc/87/32/19/1223873219.db2.gz VHKVMDJLVAECEO-QZTJIDSGSA-N 2 0 363.506 0.654 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214646421 1223929238 /nfs/dbraw/zinc/92/92/38/1223929238.db2.gz RWOLSGQNFOVSSU-FHLIZLRMSA-N 2 0 362.518 0.633 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214780403 1223941704 /nfs/dbraw/zinc/94/17/04/1223941704.db2.gz YNSBFKGSBGGKQW-KFWWJZLASA-N 2 0 363.462 0.924 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214849971 1223948154 /nfs/dbraw/zinc/94/81/54/1223948154.db2.gz MCILYBSJIQPFKP-OIISXLGYSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214855662 1223948504 /nfs/dbraw/zinc/94/85/04/1223948504.db2.gz KJGCNWFRSBSEKQ-BMFZPTHFSA-N 2 0 367.538 0.861 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001214998532 1223962243 /nfs/dbraw/zinc/96/22/43/1223962243.db2.gz YDJQSKIKEZCXQC-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001215015065 1223964434 /nfs/dbraw/zinc/96/44/34/1223964434.db2.gz DZTNOBZPJGYAOM-NVXWUHKLSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215150410 1223978223 /nfs/dbraw/zinc/97/82/23/1223978223.db2.gz DDKWKJCDVBVALX-CXAGYDPISA-N 2 0 355.442 0.911 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215200110 1223981671 /nfs/dbraw/zinc/98/16/71/1223981671.db2.gz PIXYNPPCYUHIFV-IXDOHACOSA-N 2 0 366.506 0.823 20 0 FCADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001215227068 1223983844 /nfs/dbraw/zinc/98/38/44/1223983844.db2.gz XVWMKRRFGASCBY-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc4cc[nH]c4cn3)C2)OCC1=O ZINC001276720931 1223992069 /nfs/dbraw/zinc/99/20/69/1223992069.db2.gz XMZIGLHNNIJJRN-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001215461108 1224000728 /nfs/dbraw/zinc/00/07/28/1224000728.db2.gz SDYAVAMAWIRPLF-OIISXLGYSA-N 2 0 366.506 0.012 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](CC)CC ZINC001215516737 1224003648 /nfs/dbraw/zinc/00/36/48/1224003648.db2.gz SUFQVZSKXROFCT-RBSFLKMASA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215781065 1224017237 /nfs/dbraw/zinc/01/72/37/1224017237.db2.gz DGOGFZDUJJVEGL-UKRRQHHQSA-N 2 0 363.462 0.782 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778349 1224017625 /nfs/dbraw/zinc/01/76/25/1224017625.db2.gz HMXYJIZOMCPEJD-KBAYOESNSA-N 2 0 371.522 0.179 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001215993942 1224028963 /nfs/dbraw/zinc/02/89/63/1224028963.db2.gz IWOCGRVASVLTQH-RBSFLKMASA-N 2 0 362.478 0.582 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216002503 1224029545 /nfs/dbraw/zinc/02/95/45/1224029545.db2.gz SCMGKOKAMQLLSU-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099218 1224034038 /nfs/dbraw/zinc/03/40/38/1224034038.db2.gz KWAQGKFABNQADF-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)no1 ZINC001216383311 1224047580 /nfs/dbraw/zinc/04/75/80/1224047580.db2.gz KASZHCAGFZXINS-BPLDGKMQSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001216413696 1224049608 /nfs/dbraw/zinc/04/96/08/1224049608.db2.gz QAMHZZHFLCLUGR-XJKCOSOUSA-N 2 0 359.474 0.865 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001216463318 1224052736 /nfs/dbraw/zinc/05/27/36/1224052736.db2.gz DLOJZSBNABPVTC-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216515465 1224054348 /nfs/dbraw/zinc/05/43/48/1224054348.db2.gz QRMFEBKBQUVGHQ-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752464 1224068278 /nfs/dbraw/zinc/06/82/78/1224068278.db2.gz PPLFEOIFHBXFOH-BYCMXARLSA-N 2 0 362.478 0.353 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757934 1224069407 /nfs/dbraw/zinc/06/94/07/1224069407.db2.gz RVJQIQWRPKHHIC-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000993871055 1250036658 /nfs/dbraw/zinc/03/66/58/1250036658.db2.gz DJWJWJMTESDQHM-OAGGEKHMSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000823698175 1245321162 /nfs/dbraw/zinc/32/11/62/1245321162.db2.gz SWXUVXMELGRBCB-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000823698176 1245321338 /nfs/dbraw/zinc/32/13/38/1245321338.db2.gz SWXUVXMELGRBCB-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000848931893 1245387189 /nfs/dbraw/zinc/38/71/89/1245387189.db2.gz IHHRIHQPPWYCAX-VQHPVUNQSA-N 2 0 364.490 0.099 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000848932784 1245388001 /nfs/dbraw/zinc/38/80/01/1245388001.db2.gz VBXYZJAABLJVBN-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000849055552 1245390781 /nfs/dbraw/zinc/39/07/81/1245390781.db2.gz KBIYUJWNBSJOEK-UHFFFAOYSA-N 2 0 360.510 0.149 20 0 FCADRP [NH2+]=C(NCCN1CCNC(=O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849078356 1245391579 /nfs/dbraw/zinc/39/15/79/1245391579.db2.gz PDSKYGSNSKVMGA-UHFFFAOYSA-N 2 0 358.490 0.197 20 0 FCADRP NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000849089112 1245391926 /nfs/dbraw/zinc/39/19/26/1245391926.db2.gz UIXHASCSQOYKNX-SJORKVTESA-N 2 0 359.474 0.798 20 0 FCADRP C[N@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000891519116 1245451743 /nfs/dbraw/zinc/45/17/43/1245451743.db2.gz WLEOTTPKXOGDQR-OAGGEKHMSA-N 2 0 365.478 0.437 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919642236 1245609929 /nfs/dbraw/zinc/60/99/29/1245609929.db2.gz JSHFJGCFYRCCNT-BMGDNIKJSA-N 2 0 368.522 0.486 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000922912435 1245691970 /nfs/dbraw/zinc/69/19/70/1245691970.db2.gz XWVHVRKZLMBPRZ-SFHVURJKSA-N 2 0 373.501 0.887 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280657 1245703564 /nfs/dbraw/zinc/70/35/64/1245703564.db2.gz CDIJOBRVXAKBRO-RDJZCZTQSA-N 2 0 365.449 0.709 20 0 FCADRP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281091 1245705642 /nfs/dbraw/zinc/70/56/42/1245705642.db2.gz DNCOVDAVPQKYMT-MSOLQXFVSA-N 2 0 361.486 0.879 20 0 FCADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324675 1245709058 /nfs/dbraw/zinc/70/90/58/1245709058.db2.gz YTCVJWUJUQELTO-SFHVURJKSA-N 2 0 364.534 0.631 20 0 FCADRP O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000923518936 1245724391 /nfs/dbraw/zinc/72/43/91/1245724391.db2.gz ZJFHDUUSMRLMPF-ZWKOTPCHSA-N 2 0 364.534 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000937439144 1245788452 /nfs/dbraw/zinc/78/84/52/1245788452.db2.gz LMESNRZCEMWSRI-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000938608903 1245887078 /nfs/dbraw/zinc/88/70/78/1245887078.db2.gz FCEQUYAJXHBFHU-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000939593426 1246099349 /nfs/dbraw/zinc/09/93/49/1246099349.db2.gz PDTNPVWBVCZSBI-VNQPRFMTSA-N 2 0 362.474 0.870 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1)[NH+](C)C ZINC000941786088 1246826166 /nfs/dbraw/zinc/82/61/66/1246826166.db2.gz QCMDZFAMLKKMCB-BRWVUGGUSA-N 2 0 368.522 0.401 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553452 1247129057 /nfs/dbraw/zinc/12/90/57/1247129057.db2.gz YDXKAXFCXAJVFN-HZPDHXFCSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1)[NH+](C)C ZINC000944396142 1247547826 /nfs/dbraw/zinc/54/78/26/1247547826.db2.gz GKXWYKMVXKLTHY-BZUAXINKSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CCO2)CC[N@@H+]1C ZINC000944619560 1247585152 /nfs/dbraw/zinc/58/51/52/1247585152.db2.gz ZCHRDNRTYKIYFB-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC000946907831 1248069861 /nfs/dbraw/zinc/06/98/61/1248069861.db2.gz PEVXULFMRULULZ-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]cn3)[C@@H]2C1)C1CC1 ZINC000972739072 1248127217 /nfs/dbraw/zinc/12/72/17/1248127217.db2.gz NEOQNRDVCDNKHN-QGPMSJSTSA-N 2 0 359.474 0.742 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH+]ccc4N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976595519 1248269237 /nfs/dbraw/zinc/26/92/37/1248269237.db2.gz MBOHVABTFVUFFA-PDFKHUOFSA-N 2 0 371.485 0.674 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC(C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000976600250 1248277670 /nfs/dbraw/zinc/27/76/70/1248277670.db2.gz BSYLRSSRKJTERE-RXYDEIHYSA-N 2 0 362.518 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000976606019 1248287837 /nfs/dbraw/zinc/28/78/37/1248287837.db2.gz AKDPSSGCCZNCMZ-PVWHLQNVSA-N 2 0 362.518 0.774 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976656624 1248327515 /nfs/dbraw/zinc/32/75/15/1248327515.db2.gz CNEIPWQYIPWXDA-OBRKIGFESA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncc2C)CC[N@@H+]1C ZINC000976851775 1248431663 /nfs/dbraw/zinc/43/16/63/1248431663.db2.gz JVIRDLBPBCOFNN-ZNFSNMQZSA-N 2 0 359.474 0.495 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000976898403 1248450632 /nfs/dbraw/zinc/45/06/32/1248450632.db2.gz RSESOKJPYZOAEA-IAGOWNOFSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994322881 1250372960 /nfs/dbraw/zinc/37/29/60/1250372960.db2.gz QYGLSINIGYCRTQ-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994336833 1250386050 /nfs/dbraw/zinc/38/60/50/1250386050.db2.gz YBKQXANAPJSGFF-DJIMGWMZSA-N 2 0 362.518 0.633 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996313762 1251309967 /nfs/dbraw/zinc/30/99/67/1251309967.db2.gz GZKVMJCQFYMBTC-NUJGCVRESA-N 2 0 371.485 0.725 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ncnn3CC(F)F)CC2)CC[N@@H+]1C ZINC000996605189 1251402316 /nfs/dbraw/zinc/40/23/16/1251402316.db2.gz BQNHCVJVJDEWDP-TZMCWYRMSA-N 2 0 370.448 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC000997785644 1251706425 /nfs/dbraw/zinc/70/64/25/1251706425.db2.gz KJXZVXQKFZRUNF-CZUORRHYSA-N 2 0 361.494 0.676 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000997792702 1251709595 /nfs/dbraw/zinc/70/95/95/1251709595.db2.gz KFMPDRRUGRNWQS-LSDHHAIUSA-N 2 0 364.494 0.167 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC000998633841 1251935227 /nfs/dbraw/zinc/93/52/27/1251935227.db2.gz XUWDXACJVDQXFA-RANZSIQMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC[N@@H+]1C ZINC000998659751 1251944158 /nfs/dbraw/zinc/94/41/58/1251944158.db2.gz RQCLOIPQZAAQNQ-MTSZKFMLSA-N 2 0 360.502 0.671 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@@H+]1C ZINC001002261552 1252494017 /nfs/dbraw/zinc/49/40/17/1252494017.db2.gz YVRDCVWXBSMLHX-QKLQHJQFSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760455 1265678435 /nfs/dbraw/zinc/67/84/35/1265678435.db2.gz INEGNRJKBUGBJF-SJORKVTESA-N 2 0 355.527 0.278 20 0 FCADRP Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC001329282331 1265726324 /nfs/dbraw/zinc/72/63/24/1265726324.db2.gz RVOJHXNGZYSNLW-CQSZACIVSA-N 2 0 363.510 0.124 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001006178401 1253719863 /nfs/dbraw/zinc/71/98/63/1253719863.db2.gz BGAIDLKINNMBCB-BFYDXBDKSA-N 2 0 362.518 0.918 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC[NH3+])cc2F)CC1 ZINC001329563347 1265782076 /nfs/dbraw/zinc/78/20/76/1265782076.db2.gz STYAHPZJSKWHJL-UHFFFAOYSA-N 2 0 365.453 0.761 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647929 1265798883 /nfs/dbraw/zinc/79/88/83/1265798883.db2.gz RPKVUCUMORTNDA-SWLSCSKDSA-N 2 0 358.442 0.408 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCN4CCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035708202 1254056875 /nfs/dbraw/zinc/05/68/75/1254056875.db2.gz FVQAHBGYFUPYMI-HZPDHXFCSA-N 2 0 363.506 0.276 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC2)CC[N@@H+]1C ZINC001063221399 1254314256 /nfs/dbraw/zinc/31/42/56/1254314256.db2.gz ARIOPXSGCJGSSK-OIISXLGYSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1 ZINC001064545940 1254430932 /nfs/dbraw/zinc/43/09/32/1254430932.db2.gz YSDFYJNEJXOZAV-BZUAXINKSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001065212731 1254493616 /nfs/dbraw/zinc/49/36/16/1254493616.db2.gz UOXFVSGZOWNAFU-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001329925601 1265896645 /nfs/dbraw/zinc/89/66/45/1265896645.db2.gz KRQGBYQCPXHQAW-UHFFFAOYSA-N 2 0 362.478 0.387 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001329944191 1265901962 /nfs/dbraw/zinc/90/19/62/1265901962.db2.gz HMHIXAHWVPXZGP-UHFFFAOYSA-N 2 0 361.490 0.354 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001077618943 1254786867 /nfs/dbraw/zinc/78/68/67/1254786867.db2.gz WHGNDDUQQGPSCV-RTBURBONSA-N 2 0 361.486 0.741 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012024 1255168366 /nfs/dbraw/zinc/16/83/66/1255168366.db2.gz RLLZLDUPUAMCLM-QZTJIDSGSA-N 2 0 371.481 0.421 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nccn3C)C2)CC[N@@H+]1C ZINC001078404330 1255409164 /nfs/dbraw/zinc/40/91/64/1255409164.db2.gz YHDBWRDQMQSGJE-IXDOHACOSA-N 2 0 363.506 0.858 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079159221 1255463293 /nfs/dbraw/zinc/46/32/93/1255463293.db2.gz PMLIUJGZIDAOKO-BBWFWOEESA-N 2 0 364.465 0.925 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259591 1255492241 /nfs/dbraw/zinc/49/22/41/1255492241.db2.gz IJAJYTHRCSGXQT-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079300311 1255503487 /nfs/dbraw/zinc/50/34/87/1255503487.db2.gz BLWRNRACDKNETG-UAGQMJEPSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707709 1255582210 /nfs/dbraw/zinc/58/22/10/1255582210.db2.gz RGZMNKCLKCPQKT-BPQIPLTHSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717333 1255583029 /nfs/dbraw/zinc/58/30/29/1255583029.db2.gz CLWAAAUTKNMUBK-NVXWUHKLSA-N 2 0 359.478 0.392 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717636 1255584974 /nfs/dbraw/zinc/58/49/74/1255584974.db2.gz SOGOCAWISCLMNL-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080051043 1255725622 /nfs/dbraw/zinc/72/56/22/1255725622.db2.gz LBQRTTVJTZKYTJ-CZUORRHYSA-N 2 0 369.425 0.533 20 0 FCADRP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080936077 1256103033 /nfs/dbraw/zinc/10/30/33/1256103033.db2.gz HKWPFWLPZMJARP-RBSFLKMASA-N 2 0 363.510 0.359 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001081098185 1256176369 /nfs/dbraw/zinc/17/63/69/1256176369.db2.gz YZINEBALCRLKSU-OTWHNJEPSA-N 2 0 370.497 0.897 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)n1 ZINC001081118709 1256185206 /nfs/dbraw/zinc/18/52/06/1256185206.db2.gz RQPBGDUQUDAPGV-PKOBYXMFSA-N 2 0 371.485 0.635 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001081118474 1256185630 /nfs/dbraw/zinc/18/56/30/1256185630.db2.gz GARBNWPCCHDVGT-WNRNVDISSA-N 2 0 358.486 0.786 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213978 1256207926 /nfs/dbraw/zinc/20/79/26/1256207926.db2.gz YHFYYXWWXPVACT-OKZBNKHCSA-N 2 0 370.497 0.930 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001081226704 1256211810 /nfs/dbraw/zinc/21/18/10/1256211810.db2.gz GKIBWRUNTAULGE-GBESFXJTSA-N 2 0 370.497 0.755 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227097 1256212876 /nfs/dbraw/zinc/21/28/76/1256212876.db2.gz PWKJBZZYIAODAE-YTQUADARSA-N 2 0 368.485 0.851 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330452353 1266029221 /nfs/dbraw/zinc/02/92/21/1266029221.db2.gz XYOOUYZHODACHY-GVDBMIGSSA-N 2 0 366.506 0.345 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001330502002 1266043164 /nfs/dbraw/zinc/04/31/64/1266043164.db2.gz MHSNONAOKQEGHO-ARFHVFGLSA-N 2 0 362.474 0.455 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095869 1256532748 /nfs/dbraw/zinc/53/27/48/1256532748.db2.gz MKOSZDDCUHZCEA-RTBURBONSA-N 2 0 361.486 0.836 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082317695 1256654285 /nfs/dbraw/zinc/65/42/85/1256654285.db2.gz IPGGMUQPIJJXSX-QXAKKESOSA-N 2 0 365.518 0.960 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001330543449 1266055428 /nfs/dbraw/zinc/05/54/28/1266055428.db2.gz ITTBGUCBTXVMAY-KRWDZBQOSA-N 2 0 366.506 0.204 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC001330543456 1266056290 /nfs/dbraw/zinc/05/62/90/1266056290.db2.gz JDVGECRBSBPSEJ-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082448213 1256765696 /nfs/dbraw/zinc/76/56/96/1256765696.db2.gz IIMQXINLUPCCPG-QBIMZIAESA-N 2 0 356.474 0.999 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001082517941 1256800405 /nfs/dbraw/zinc/80/04/05/1256800405.db2.gz PYAGUAGFHJXWQG-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001082517942 1256800843 /nfs/dbraw/zinc/80/08/43/1256800843.db2.gz PYPMPRUTFHDZRG-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001082517890 1256800995 /nfs/dbraw/zinc/80/09/95/1256800995.db2.gz MSMBTRJVQOUTTE-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)ccc2c[nH+]cn21 ZINC001082609772 1256920370 /nfs/dbraw/zinc/92/03/70/1256920370.db2.gz FFCNNROBONEANR-OAUYIBNBSA-N 2 0 355.442 0.924 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)ccc2c[nH+]cn21 ZINC001082610034 1256920856 /nfs/dbraw/zinc/92/08/56/1256920856.db2.gz XSDZKXDOJPOWGN-HFBAOOFYSA-N 2 0 369.425 0.498 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082617137 1256928056 /nfs/dbraw/zinc/92/80/56/1256928056.db2.gz WECSCYWIMAHVRA-OWCLPIDISA-N 2 0 358.490 0.830 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082617498 1256928582 /nfs/dbraw/zinc/92/85/82/1256928582.db2.gz YBFGTONPALBVQW-HUUCEWRRSA-N 2 0 362.474 0.200 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082636983 1256944250 /nfs/dbraw/zinc/94/42/50/1256944250.db2.gz DMGSIRCSAUEIPT-RHSMWYFYSA-N 2 0 366.429 0.609 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082637322 1256944665 /nfs/dbraw/zinc/94/46/65/1256944665.db2.gz ZMROYPDNXZGZFX-IVMMDQJWSA-N 2 0 354.414 0.206 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653466 1256958205 /nfs/dbraw/zinc/95/82/05/1256958205.db2.gz LZUCBKYKYQFAGK-JISMVTRBSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082743712 1257024201 /nfs/dbraw/zinc/02/42/01/1257024201.db2.gz WWOQCTAHCCYPGQ-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082783729 1257048730 /nfs/dbraw/zinc/04/87/30/1257048730.db2.gz LXEGDPLNHDPCII-HYVNUMGLSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082797746 1257057941 /nfs/dbraw/zinc/05/79/41/1257057941.db2.gz NCAOIJOUEUCSCM-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082828056 1257085440 /nfs/dbraw/zinc/08/54/40/1257085440.db2.gz PVFAWPMLHBZNRF-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082827820 1257085531 /nfs/dbraw/zinc/08/55/31/1257085531.db2.gz CFEJYBYVSGKUMJ-RDTXWAMCSA-N 2 0 363.506 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082828836 1257086720 /nfs/dbraw/zinc/08/67/20/1257086720.db2.gz LHTITOYDHZYQJO-CRAIPNDOSA-N 2 0 363.506 0.510 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001082863097 1257113620 /nfs/dbraw/zinc/11/36/20/1257113620.db2.gz KWCBIOPWKIBINL-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082863548 1257113661 /nfs/dbraw/zinc/11/36/61/1257113661.db2.gz IMJUDPKFTXRDTD-DJIMGWMZSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+]1CCCC1 ZINC001082944031 1257160494 /nfs/dbraw/zinc/16/04/94/1257160494.db2.gz AFWYJDHJIIJJLR-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCC4)C[C@@H]32)n1 ZINC001083085089 1257286761 /nfs/dbraw/zinc/28/67/61/1257286761.db2.gz ZHMVWWRIBSSYFF-ZWKOTPCHSA-N 2 0 361.490 0.770 20 0 FCADRP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001521343013 1266115168 /nfs/dbraw/zinc/11/51/68/1266115168.db2.gz UXHLWVYOCNVZMR-AEFFLSMTSA-N 2 0 366.554 0.042 20 0 FCADRP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001521343014 1266115598 /nfs/dbraw/zinc/11/55/98/1266115598.db2.gz UXHLWVYOCNVZMR-FUHWJXTLSA-N 2 0 366.554 0.042 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC001330929834 1266117522 /nfs/dbraw/zinc/11/75/22/1266117522.db2.gz BFEHQOSDEXAVHQ-SJORKVTESA-N 2 0 360.458 0.426 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782625 1257528597 /nfs/dbraw/zinc/52/85/97/1257528597.db2.gz DSCZBGQZNCHZAN-SQNIBIBYSA-N 2 0 367.534 0.821 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC001521482239 1266126114 /nfs/dbraw/zinc/12/61/14/1266126114.db2.gz JCYXCRHBTRFZCH-ICSRJNTNSA-N 2 0 361.486 0.551 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)C[NH+]1CCN(C)CC1 ZINC001521503674 1266128714 /nfs/dbraw/zinc/12/87/14/1266128714.db2.gz JZIQDDPAQKNQHL-BRSBDYLESA-N 2 0 352.523 0.533 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1)C1CCC1 ZINC001083961689 1257754069 /nfs/dbraw/zinc/75/40/69/1257754069.db2.gz FASDJYRYUTZAMV-BPQIPLTHSA-N 2 0 362.474 0.738 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054160 1257864976 /nfs/dbraw/zinc/86/49/76/1257864976.db2.gz YTMQKYQKOFJKMC-KSZLIROESA-N 2 0 359.470 0.277 20 0 FCADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087842 1257910960 /nfs/dbraw/zinc/91/09/60/1257910960.db2.gz CRBHXVQTQIGARV-MOPGFXCFSA-N 2 0 371.485 0.499 20 0 FCADRP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352015 1258044768 /nfs/dbraw/zinc/04/47/68/1258044768.db2.gz MDTGRQUCLWZTMB-MKXGPGLRSA-N 2 0 365.518 0.912 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)[C@@H]3C2)cc1=O ZINC001084406019 1258083683 /nfs/dbraw/zinc/08/36/83/1258083683.db2.gz CQTNTOYGFZTARH-LMMKCTJWSA-N 2 0 358.486 0.758 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001521663516 1266160593 /nfs/dbraw/zinc/16/05/93/1266160593.db2.gz IEXRSHWBHVDFFM-HFTRVMKXSA-N 2 0 350.507 0.951 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001521697401 1266165330 /nfs/dbraw/zinc/16/53/30/1266165330.db2.gz IUDHIENZKQHWJM-IBGZPJMESA-N 2 0 362.474 0.414 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCn4cccn4)C[C@H]32)cn1 ZINC001084714619 1258260201 /nfs/dbraw/zinc/26/02/01/1258260201.db2.gz QXMHFWWZZRRUPP-SJLPKXTDSA-N 2 0 371.489 0.488 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001084775830 1258318381 /nfs/dbraw/zinc/31/83/81/1258318381.db2.gz VXQGIUPGVBFNID-RCCFBDPRSA-N 2 0 360.506 0.769 20 0 FCADRP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001084777526 1258318534 /nfs/dbraw/zinc/31/85/34/1258318534.db2.gz BIIPYNXJTPMXJY-QZTJIDSGSA-N 2 0 368.481 0.914 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001084964897 1258477581 /nfs/dbraw/zinc/47/75/81/1258477581.db2.gz XBMQBUQQMVXDMF-IKGGRYGDSA-N 2 0 365.522 0.521 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032735 1258534444 /nfs/dbraw/zinc/53/44/44/1258534444.db2.gz XEMIOONMPWZOPP-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085196634 1258626731 /nfs/dbraw/zinc/62/67/31/1258626731.db2.gz IFPODYPEJTUXAU-ZACQAIPSSA-N 2 0 365.522 0.901 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cn2)CC1 ZINC001331363129 1266199923 /nfs/dbraw/zinc/19/99/23/1266199923.db2.gz PSSJTKQLSWMMIK-SJORKVTESA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+](C)[C@](C)(C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)c1ccccc1 ZINC001088166972 1258682196 /nfs/dbraw/zinc/68/21/96/1258682196.db2.gz AZICMWZLRJMFRV-GUXCAODWSA-N 2 0 358.486 0.729 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782029 1258845063 /nfs/dbraw/zinc/84/50/63/1258845063.db2.gz BOMKERGKLLSBFT-GDBMZVCRSA-N 2 0 355.442 0.864 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)ccc1N1CC[NH+](C)CC1 ZINC001331434463 1266215726 /nfs/dbraw/zinc/21/57/26/1266215726.db2.gz ZZGQHYOMNRGESS-INIZCTEOSA-N 2 0 373.501 0.944 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001100344939 1258908575 /nfs/dbraw/zinc/90/85/75/1258908575.db2.gz JUMFPWBMTKRFHC-ZGUYJTEBSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637441 1258920436 /nfs/dbraw/zinc/92/04/36/1258920436.db2.gz PQQIUYAQJZKLTD-LFGUQSLTSA-N 2 0 367.534 0.819 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105652362 1258922355 /nfs/dbraw/zinc/92/23/55/1258922355.db2.gz LJXDMPLJWIUKNI-LTDCPUDJSA-N 2 0 368.522 0.040 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001106672513 1258938162 /nfs/dbraw/zinc/93/81/62/1258938162.db2.gz AJTSYQQGJNGGKS-QLFBSQMISA-N 2 0 365.526 0.933 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106673448 1258939069 /nfs/dbraw/zinc/93/90/69/1258939069.db2.gz ZDRWXYJOHNOUGU-RBSFLKMASA-N 2 0 366.506 0.454 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1)[NH+](C)C ZINC001106674055 1258939620 /nfs/dbraw/zinc/93/96/20/1258939620.db2.gz PKHBXENKFAHGDC-YUELXQCFSA-N 2 0 365.478 0.946 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001106807962 1258967659 /nfs/dbraw/zinc/96/76/59/1258967659.db2.gz GTBWPRXYHPNSHJ-IAGOWNOFSA-N 2 0 363.506 0.678 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106811248 1258968349 /nfs/dbraw/zinc/96/83/49/1258968349.db2.gz YBGHSPQGHPUMSY-BZUAXINKSA-N 2 0 368.522 0.258 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106840330 1258973549 /nfs/dbraw/zinc/97/35/49/1258973549.db2.gz IKBSIEWOYMAJMW-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874564 1258985410 /nfs/dbraw/zinc/98/54/10/1258985410.db2.gz LAINUAFIENQEDQ-BRWVUGGUSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106878583 1258985882 /nfs/dbraw/zinc/98/58/82/1258985882.db2.gz SMDULFSKVUBWRA-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039457 1259022089 /nfs/dbraw/zinc/02/20/89/1259022089.db2.gz SGWZQULMFJMZMU-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042426 1259023796 /nfs/dbraw/zinc/02/37/96/1259023796.db2.gz MFVFOHKTPWXXBW-BRWVUGGUSA-N 2 0 370.538 0.552 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001107042698 1259023928 /nfs/dbraw/zinc/02/39/28/1259023928.db2.gz YMERNTMEIJYJSY-IXDOHACOSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107550188 1259114085 /nfs/dbraw/zinc/11/40/85/1259114085.db2.gz PGQKVJGQKRWWQA-YQVWRLOYSA-N 2 0 360.506 0.981 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107598812 1259129227 /nfs/dbraw/zinc/12/92/27/1259129227.db2.gz YELQACFYLKSWAO-RDTXWAMCSA-N 2 0 364.494 0.311 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608460 1259132355 /nfs/dbraw/zinc/13/23/55/1259132355.db2.gz RZWGQBIANFZYNR-VQIMIIECSA-N 2 0 362.518 0.969 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC001127659472 1259185029 /nfs/dbraw/zinc/18/50/29/1259185029.db2.gz CHAVQTQKFUSAON-CRAIPNDOSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603597 1266247930 /nfs/dbraw/zinc/24/79/30/1266247930.db2.gz HBCZECOCUNXMNE-DDBAPUKQSA-N 2 0 358.486 0.867 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048711 1259299565 /nfs/dbraw/zinc/29/95/65/1259299565.db2.gz HRWBKOKCUHOJJW-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052262 1259299757 /nfs/dbraw/zinc/29/97/57/1259299757.db2.gz AUAPMOHVQVFWEF-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001129103582 1259315578 /nfs/dbraw/zinc/31/55/78/1259315578.db2.gz NJOWBCUFZSCEBO-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129204805 1259344865 /nfs/dbraw/zinc/34/48/65/1259344865.db2.gz KGSPFKLJXKWXQD-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267083 1259361966 /nfs/dbraw/zinc/36/19/66/1259361966.db2.gz WSCYYNZWRCFWDC-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276402 1259363960 /nfs/dbraw/zinc/36/39/60/1259363960.db2.gz INULWORRLPADEU-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N[C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC001180612988 1259395976 /nfs/dbraw/zinc/39/59/76/1259395976.db2.gz KSPDUHOOHOELBQ-KRWDZBQOSA-N 2 0 359.474 0.360 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCOC)C2)CC[N@@H+]1C ZINC001200554719 1259416404 /nfs/dbraw/zinc/41/64/04/1259416404.db2.gz LUEHKEIJEVCBSQ-FGTMMUONSA-N 2 0 371.522 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001200636054 1259419392 /nfs/dbraw/zinc/41/93/92/1259419392.db2.gz FFGGGTRZPDRNFJ-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001212295340 1259454927 /nfs/dbraw/zinc/45/49/27/1259454927.db2.gz JFEHWHIAKDWGIU-IAGOWNOFSA-N 2 0 367.494 0.299 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405785 1259492327 /nfs/dbraw/zinc/49/23/27/1259492327.db2.gz BZXWKURKLVHFMG-FGTMMUONSA-N 2 0 369.506 0.482 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418124 1259498030 /nfs/dbraw/zinc/49/80/30/1259498030.db2.gz BLPAJGIRRPWYGK-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1)OC ZINC001212458492 1259514007 /nfs/dbraw/zinc/51/40/07/1259514007.db2.gz HRZJHFDMFAZQGV-GVDBMIGSSA-N 2 0 371.522 0.585 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216229108 1259537508 /nfs/dbraw/zinc/53/75/08/1259537508.db2.gz BFASBGSYEFBFLN-IAGOWNOFSA-N 2 0 370.538 0.696 20 0 FCADRP c1cc(CN2CCNC[C@]23CC[NH2+]C3)cc(OCCN2CCOCC2)c1 ZINC001234985652 1259565939 /nfs/dbraw/zinc/56/59/39/1259565939.db2.gz DERJNZKOQGTKML-HXUWFJFHSA-N 2 0 360.502 0.535 20 0 FCADRP CC1(C)NC[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)O1 ZINC001235469990 1259572988 /nfs/dbraw/zinc/57/29/88/1259572988.db2.gz UTDWFUIBEBIIMF-LXTVHRRPSA-N 2 0 361.446 0.334 20 0 FCADRP Nc1ncc(-c2ccccc2CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235869871 1259582120 /nfs/dbraw/zinc/58/21/20/1259582120.db2.gz JIRDWSISKUPJHM-UHFFFAOYSA-N 2 0 355.490 0.310 20 0 FCADRP COC(=O)c1ccc(OC)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236306900 1259588607 /nfs/dbraw/zinc/58/86/07/1259588607.db2.gz APMMQATXDUBVNL-UHFFFAOYSA-N 2 0 366.462 0.098 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC(C)=O ZINC001236311206 1259589033 /nfs/dbraw/zinc/58/90/33/1259589033.db2.gz FVFVABAZIIZPPO-UHFFFAOYSA-N 2 0 366.462 0.236 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236309532 1259589447 /nfs/dbraw/zinc/58/94/47/1259589447.db2.gz MMEUGHIZSMBMNO-LJQANCHMSA-N 3 0 361.534 0.624 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001237057740 1259595910 /nfs/dbraw/zinc/59/59/10/1259595910.db2.gz DHDQDEHQOXOTCR-ICSRJNTNSA-N 2 0 358.486 0.823 20 0 FCADRP C[NH+]1CCN(c2cc(-c3ncccc3C(=O)N3CC[NH2+]CC3)ccn2)CC1 ZINC001238819413 1259622319 /nfs/dbraw/zinc/62/23/19/1259622319.db2.gz UMNFMQWRCZOUDB-UHFFFAOYSA-N 2 0 366.469 0.941 20 0 FCADRP S=C(Nc1ccc(-n2cccn2)cc1)N1CCNCC[NH2+]CCNCC1 ZINC001239438879 1259624535 /nfs/dbraw/zinc/62/45/35/1259624535.db2.gz KMAOTBHLQRHTEI-UHFFFAOYSA-N 2 0 373.530 0.654 20 0 FCADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241900094 1259631364 /nfs/dbraw/zinc/63/13/64/1259631364.db2.gz LTNXMVFUGRFBGK-MRXNPFEDSA-N 2 0 355.442 0.844 20 0 FCADRP O[C@]1(CNc2ncc(Br)nc2N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001245955791 1259640994 /nfs/dbraw/zinc/64/09/94/1259640994.db2.gz FWFBBASNHFNQMB-CQSZACIVSA-N 2 0 371.283 0.175 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245978754 1259641401 /nfs/dbraw/zinc/64/14/01/1259641401.db2.gz DYGFJGJUUSMHHU-JCGIZDLHSA-N 3 0 369.456 0.944 20 0 FCADRP CCCC[C@@H](CC)COC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053260 1259644880 /nfs/dbraw/zinc/64/48/80/1259644880.db2.gz NLUXDGJMXGULPF-QZTJIDSGSA-N 3 0 374.570 0.696 20 0 FCADRP CCCC[C@H](CC)COC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053271 1259646144 /nfs/dbraw/zinc/64/61/44/1259646144.db2.gz NLUXDGJMXGULPF-ZWKOTPCHSA-N 3 0 374.570 0.696 20 0 FCADRP COc1cccc(C(=O)N2CCC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246352914 1259652103 /nfs/dbraw/zinc/65/21/03/1259652103.db2.gz BOWHVIGPZUMACO-QGZVFWFLSA-N 2 0 358.486 0.983 20 0 FCADRP c1ccc(COCCOCCOCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246517706 1259654065 /nfs/dbraw/zinc/65/40/65/1259654065.db2.gz BEDAEDBROQLOBU-IBGZPJMESA-N 2 0 363.502 0.920 20 0 FCADRP O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246519320 1259655273 /nfs/dbraw/zinc/65/52/73/1259655273.db2.gz MFKRSYXBUWBCLF-QGZVFWFLSA-N 2 0 355.486 0.509 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CN1 ZINC001246609374 1259656564 /nfs/dbraw/zinc/65/65/64/1259656564.db2.gz MZHPTNWAICAFQP-RCJHGTSTSA-N 2 0 367.490 0.535 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671275 1259659257 /nfs/dbraw/zinc/65/92/57/1259659257.db2.gz ILDRWHJBPFPGIU-TVRAHDOYSA-N 2 0 365.474 0.001 20 0 FCADRP c1cnc(N([C@@H]2COC3(C2)CC[NH2+]CC3)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246704188 1259663329 /nfs/dbraw/zinc/66/33/29/1259663329.db2.gz LOSRQNSTJWPFCX-HOTGVXAUSA-N 2 0 358.490 0.288 20 0 FCADRP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246712145 1259666752 /nfs/dbraw/zinc/66/67/52/1259666752.db2.gz FBFZLCUGTNZIQL-FCGDIQPGSA-N 2 0 365.518 0.755 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CN1 ZINC001246706915 1259667141 /nfs/dbraw/zinc/66/71/41/1259667141.db2.gz DEHMPJUQLXQETM-RDJZCZTQSA-N 2 0 361.490 0.631 20 0 FCADRP Cc1nc2n(n1)C[C@@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC[NH2+]CC1)CC2 ZINC001335457630 1259670520 /nfs/dbraw/zinc/67/05/20/1259670520.db2.gz NEQZJKKAVAECKD-BHYGNILZSA-N 2 0 373.505 0.512 20 0 FCADRP CN(C)C(=O)N[C@H]1COCCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246728075 1259670952 /nfs/dbraw/zinc/67/09/52/1259670952.db2.gz FTDHMRCKDGZWGE-CVEARBPZSA-N 2 0 365.522 0.223 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733007 1259673106 /nfs/dbraw/zinc/67/31/06/1259673106.db2.gz CPGWSPWJAUNENH-WFXMFSGNSA-N 2 0 358.490 0.634 20 0 FCADRP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)N1Cc1cccnc1 ZINC001246741361 1259675805 /nfs/dbraw/zinc/67/58/05/1259675805.db2.gz XWSKTPLVSOEWTQ-RCCFBDPRSA-N 2 0 355.486 0.741 20 0 FCADRP Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246748439 1259679897 /nfs/dbraw/zinc/67/98/97/1259679897.db2.gz UDFBNHMAHIEUBI-JQHSSLGASA-N 2 0 361.490 0.270 20 0 FCADRP O=C(C1CC[NH+](C2CCN([C@H]3CCC[NH2+]C3)CC2)CC1)N1CCOCC1 ZINC001246749369 1259680845 /nfs/dbraw/zinc/68/08/45/1259680845.db2.gz WFRRTDMMJINKHB-IBGZPJMESA-N 2 0 364.534 0.774 20 0 FCADRP O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766035 1259684032 /nfs/dbraw/zinc/68/40/32/1259684032.db2.gz OKCVTUGVPPAAOI-OXJNMPFZSA-N 2 0 374.485 0.681 20 0 FCADRP COc1ccc(OC)c(CN2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246773978 1259689314 /nfs/dbraw/zinc/68/93/14/1259689314.db2.gz DPDDCAGOJUZSEN-QGZVFWFLSA-N 2 0 360.502 0.915 20 0 FCADRP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C2 ZINC001246919050 1259694667 /nfs/dbraw/zinc/69/46/67/1259694667.db2.gz IPBLZYJTCXUYGE-ZSHCYNCHSA-N 2 0 369.510 0.254 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC001335522038 1259697590 /nfs/dbraw/zinc/69/75/90/1259697590.db2.gz MYHYXNQHICJBKN-INIZCTEOSA-N 2 0 367.538 0.470 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246945476 1259698191 /nfs/dbraw/zinc/69/81/91/1259698191.db2.gz YTTFHKVHTPXKRS-LJQANCHMSA-N 3 0 366.550 0.531 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4C[NH2+]CC[C@H]4O)n3)c2)CC1 ZINC001247754548 1259704692 /nfs/dbraw/zinc/70/46/92/1259704692.db2.gz ANMUKWYDIVCWQQ-IAGOWNOFSA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4C[NH2+]C[C@H](O)C4)n3)c2)CC1 ZINC001247746260 1259705119 /nfs/dbraw/zinc/70/51/19/1259705119.db2.gz ALKQRLNCPKHDKI-DLBZAZTESA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3COC4(C[NH2+]C4)CN3)n2)CC1 ZINC001247855580 1259706429 /nfs/dbraw/zinc/70/64/29/1259706429.db2.gz YAOZQXQEALEEGD-HNNXBMFYSA-N 2 0 370.457 0.491 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986841 1259771952 /nfs/dbraw/zinc/77/19/52/1259771952.db2.gz ZAEHFMWVJSBGQA-CEXWTWQISA-N 2 0 361.486 0.831 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@@H]21 ZINC001335685898 1259786122 /nfs/dbraw/zinc/78/61/22/1259786122.db2.gz FYOQKGCDVROWEF-ZBFHGGJFSA-N 2 0 357.458 0.329 20 0 FCADRP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001252422094 1259787219 /nfs/dbraw/zinc/78/72/19/1259787219.db2.gz QDKBPTGDWCICIB-QGZVFWFLSA-N 2 0 363.458 0.530 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335711447 1259799326 /nfs/dbraw/zinc/79/93/26/1259799326.db2.gz ACXBTYBJVLMTHS-AWEZNQCLSA-N 2 0 372.477 0.727 20 0 FCADRP O=C1COCCN1C1CC[NH+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC001252933774 1259813783 /nfs/dbraw/zinc/81/37/83/1259813783.db2.gz MZBKHNKGALNNRD-OAQYLSRUSA-N 2 0 373.497 0.947 20 0 FCADRP O=c1[nH]c(=O)c2c([nH]1)CCN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252930518 1259814443 /nfs/dbraw/zinc/81/44/43/1259814443.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 0 356.426 0.883 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253185983 1259829047 /nfs/dbraw/zinc/82/90/47/1259829047.db2.gz WDUSKIFITCIXJY-BRSBDYLESA-N 2 0 369.506 0.438 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CNC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001253212282 1259830946 /nfs/dbraw/zinc/83/09/46/1259830946.db2.gz HOJZOGBBAAMTMF-SFHVURJKSA-N 2 0 362.518 0.799 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253388529 1259837975 /nfs/dbraw/zinc/83/79/75/1259837975.db2.gz KNNOIQDLLZNKPB-SJORKVTESA-N 2 0 365.518 0.862 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253388986 1259838838 /nfs/dbraw/zinc/83/88/38/1259838838.db2.gz SDPZLOKLNBGZDF-VQHPVUNQSA-N 2 0 369.506 0.484 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452971 1259842564 /nfs/dbraw/zinc/84/25/64/1259842564.db2.gz APBRVZDQOPWDNX-BRWVUGGUSA-N 2 0 371.522 0.273 20 0 FCADRP CC(=O)N1CCC([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CC1 ZINC001254423334 1259883111 /nfs/dbraw/zinc/88/31/11/1259883111.db2.gz FHRLAZUBDISGII-UHFFFAOYSA-N 2 0 360.502 0.821 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC001331833410 1266293275 /nfs/dbraw/zinc/29/32/75/1266293275.db2.gz HKGMNLMBEBYHCG-OKZBNKHCSA-N 2 0 356.470 0.636 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)C2CCOCC2)C1 ZINC001255033356 1259903572 /nfs/dbraw/zinc/90/35/72/1259903572.db2.gz ARSXQKJQUAEQRR-OGCZYDBJSA-N 2 0 373.538 0.934 20 0 FCADRP Cn1nnc2c1CCN([C@@H]1CCC[N@H+](C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001255490550 1259916223 /nfs/dbraw/zinc/91/62/23/1259916223.db2.gz UGXIINJBSLQNOC-AEFFLSMTSA-N 2 0 362.522 0.921 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)[C@@H](N)C1 ZINC001256049946 1259931520 /nfs/dbraw/zinc/93/15/20/1259931520.db2.gz XJSHVNCXBVRZMC-LSDHHAIUSA-N 2 0 362.478 0.982 20 0 FCADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@@H+](C4CC[NH+](C)CC4)CC[C@@H]32)cn1 ZINC001256207913 1259937412 /nfs/dbraw/zinc/93/74/12/1259937412.db2.gz RNLBLNYNDSAWTD-RYQLBKOJSA-N 2 0 361.490 0.581 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC001336001818 1259938275 /nfs/dbraw/zinc/93/82/75/1259938275.db2.gz QSJOEAGXBHJLPR-OAHLLOKOSA-N 2 0 361.490 0.858 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001336044585 1259955945 /nfs/dbraw/zinc/95/59/45/1259955945.db2.gz BHTURGJOMCVVAZ-UHFFFAOYSA-N 2 0 353.507 0.794 20 0 FCADRP COCCOCCOCCOCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256685796 1259957434 /nfs/dbraw/zinc/95/74/34/1259957434.db2.gz HLSPHOUCIJMMLL-UHFFFAOYSA-N 2 0 374.522 0.916 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC001256993022 1259985506 /nfs/dbraw/zinc/98/55/06/1259985506.db2.gz VBKMPRCYUYRRKA-UHFFFAOYSA-N 2 0 369.506 0.879 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001258373393 1260046758 /nfs/dbraw/zinc/04/67/58/1260046758.db2.gz HNUGBILHKQRGAM-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336256670 1260059789 /nfs/dbraw/zinc/05/97/89/1260059789.db2.gz RBLNJAOXMUEVEB-KZNAEPCWSA-N 2 0 371.485 0.559 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273176 1260064187 /nfs/dbraw/zinc/06/41/87/1260064187.db2.gz RTLDAMFRNWRZGA-INIZCTEOSA-N 2 0 351.495 0.468 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC001261134351 1260081548 /nfs/dbraw/zinc/08/15/48/1260081548.db2.gz TUDKCMYJZCYHNL-DZUCGIPZSA-N 2 0 366.506 0.079 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001261492613 1260150069 /nfs/dbraw/zinc/15/00/69/1260150069.db2.gz MPFRDBGKNOBFNH-UHFFFAOYSA-N 2 0 374.485 0.633 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515739 1260153893 /nfs/dbraw/zinc/15/38/93/1260153893.db2.gz RMRTYXLGZWUMOU-ZACQAIPSSA-N 2 0 366.506 0.333 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891846 1260208264 /nfs/dbraw/zinc/20/82/64/1260208264.db2.gz REARYCMCYOWVPV-BETUJISGSA-N 2 0 358.442 0.421 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC001336723542 1260208794 /nfs/dbraw/zinc/20/87/94/1260208794.db2.gz NYNGXVICOSHEAM-INIZCTEOSA-N 2 0 351.447 0.050 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1(C)C ZINC001262010195 1260244742 /nfs/dbraw/zinc/24/47/42/1260244742.db2.gz XOINGYNGYIEVRO-CLCXKQKWSA-N 2 0 366.506 0.330 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1(C)C ZINC001262010197 1260245338 /nfs/dbraw/zinc/24/53/38/1260245338.db2.gz XOINGYNGYIEVRO-QMTMVMCOSA-N 2 0 366.506 0.330 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC001262060525 1260253149 /nfs/dbraw/zinc/25/31/49/1260253149.db2.gz CKUYAMSDKALJEF-MSOLQXFVSA-N 2 0 374.485 0.080 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001262063242 1260253830 /nfs/dbraw/zinc/25/38/30/1260253830.db2.gz UCKYXZSCAPCTHA-IXDOHACOSA-N 2 0 366.506 0.210 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001262063964 1260254068 /nfs/dbraw/zinc/25/40/68/1260254068.db2.gz NQZFHSKTISUGRX-WCXIOVBPSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)NCc3cc(N)cc[nH+]3)ccn2)CC1 ZINC001262092538 1260259469 /nfs/dbraw/zinc/25/94/69/1260259469.db2.gz YJOMAZZJJPTUPS-UHFFFAOYSA-N 2 0 355.446 0.810 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC001262117114 1260261969 /nfs/dbraw/zinc/26/19/69/1260261969.db2.gz DLMPIGONAFASFM-OAHLLOKOSA-N 2 0 359.474 0.719 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC001337023573 1260288249 /nfs/dbraw/zinc/28/82/49/1260288249.db2.gz BYCGZTYJSVLSHZ-UHFFFAOYSA-N 2 0 351.495 0.501 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC001337026407 1260289696 /nfs/dbraw/zinc/28/96/96/1260289696.db2.gz NHNHBXIYBRIZII-MAUKXSAKSA-N 2 0 370.457 0.998 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001337052300 1260295743 /nfs/dbraw/zinc/29/57/43/1260295743.db2.gz IXANJOTZAOOTBW-GJZGRUSLSA-N 2 0 364.494 0.421 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001262564147 1260327612 /nfs/dbraw/zinc/32/76/12/1260327612.db2.gz ZZBBOVOCWCPCRL-JKSUJKDBSA-N 2 0 367.490 0.669 20 0 FCADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001263103595 1260341081 /nfs/dbraw/zinc/34/10/81/1260341081.db2.gz FGZKPOSQVXGFNZ-KBXCAEBGSA-N 2 0 363.481 0.658 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001263101268 1260341917 /nfs/dbraw/zinc/34/19/17/1260341917.db2.gz NOFSCDKZURMYSY-SFHVURJKSA-N 2 0 364.465 0.689 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001337312462 1260365711 /nfs/dbraw/zinc/36/57/11/1260365711.db2.gz YIRDWNIXSULXEY-CVEARBPZSA-N 2 0 366.506 0.333 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001337341700 1260375832 /nfs/dbraw/zinc/37/58/32/1260375832.db2.gz SGBVEMPRESVUBC-UHFFFAOYSA-N 2 0 366.506 0.023 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001337486589 1260413435 /nfs/dbraw/zinc/41/34/35/1260413435.db2.gz XCIHVKLJXNXAFX-ORQFMDKSSA-N 2 0 364.490 0.003 20 0 FCADRP COCCN1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2C)CC1 ZINC001337897207 1260513648 /nfs/dbraw/zinc/51/36/48/1260513648.db2.gz GSMLEIPXNNCSIV-ALOPSCKCSA-N 2 0 362.522 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249680 1260634655 /nfs/dbraw/zinc/63/46/55/1260634655.db2.gz YVUMYGVVVBIGBD-ICSRJNTNSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)[C@H]4CCC[N@H+](C)C4)(C2)C3)CC1 ZINC001273272353 1260643493 /nfs/dbraw/zinc/64/34/93/1260643493.db2.gz HFLMKYRAWWEPJE-VMEOHVCESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001273272744 1260645805 /nfs/dbraw/zinc/64/58/05/1260645805.db2.gz MQPBDWAHRSXRFO-YRNRMSPPSA-N 2 0 362.518 0.872 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001273273777 1260647613 /nfs/dbraw/zinc/64/76/13/1260647613.db2.gz ZJBFQIAQYHPMKD-SQGPQFPESA-N 2 0 364.534 0.977 20 0 FCADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cc(C)nn3C)C[C@H]12 ZINC001278272035 1260688437 /nfs/dbraw/zinc/68/84/37/1260688437.db2.gz DMHJMYFUUBKVIF-IAGOWNOFSA-N 2 0 361.490 0.387 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2ccncc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001278463709 1260695044 /nfs/dbraw/zinc/69/50/44/1260695044.db2.gz LTGKJRQPHWZVDU-LJQANCHMSA-N 2 0 361.490 0.505 20 0 FCADRP O=C1CC[C@H](C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472465 1260695871 /nfs/dbraw/zinc/69/58/71/1260695871.db2.gz NMLVXHUGTDMRJB-PVAVHDDUSA-N 2 0 360.502 0.720 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@@H]2C1 ZINC001278509231 1260702832 /nfs/dbraw/zinc/70/28/32/1260702832.db2.gz SMENNNKQLXZAMO-IAGOWNOFSA-N 2 0 363.458 0.913 20 0 FCADRP Cn1ncnc1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502453 1260881557 /nfs/dbraw/zinc/88/15/57/1260881557.db2.gz RFACBYSCYZNYAY-YESZJQIVSA-N 2 0 360.506 0.941 20 0 FCADRP CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001279619421 1260901548 /nfs/dbraw/zinc/90/15/48/1260901548.db2.gz BJCWGJODYDWPOS-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCC(CC[NH+]2CC3(CCN3C(=O)Cn3cccnc3=O)C2)CC1 ZINC001279639196 1260906316 /nfs/dbraw/zinc/90/63/16/1260906316.db2.gz YFHNSABBDARVLS-UHFFFAOYSA-N 2 0 359.474 0.262 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(-n4ccnn4)cc3)C[C@H]21 ZINC001279662870 1260909809 /nfs/dbraw/zinc/90/98/09/1260909809.db2.gz WXXZXZNBVXENSQ-MOPGFXCFSA-N 2 0 356.474 0.714 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@@H](C)C(=O)OC)C[C@H]12 ZINC001280025618 1260980698 /nfs/dbraw/zinc/98/06/98/1260980698.db2.gz GCMHXLBWFUQSOA-QLFBSQMISA-N 2 0 368.478 0.282 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001280081907 1260994303 /nfs/dbraw/zinc/99/43/03/1260994303.db2.gz ZAYLDFCBRQTTGP-SQGPQFPESA-N 2 0 362.518 0.777 20 0 FCADRP CCOC(=O)CC[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280091555 1260999232 /nfs/dbraw/zinc/99/92/32/1260999232.db2.gz USOBUBVOEBBWMD-OAHLLOKOSA-N 2 0 363.462 0.658 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4c[nH+]cn4C)CC3)[C@H]2C1 ZINC001280121184 1261008941 /nfs/dbraw/zinc/00/89/41/1261008941.db2.gz WHJRVHOTEWAEQM-GJZGRUSLSA-N 2 0 363.462 0.057 20 0 FCADRP Cn1nccc1CNC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]12 ZINC001280126227 1261010471 /nfs/dbraw/zinc/01/04/71/1261010471.db2.gz UBWUDVLWIMBHBT-JKSUJKDBSA-N 2 0 360.462 0.065 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)CC1 ZINC001280124981 1261011110 /nfs/dbraw/zinc/01/11/10/1261011110.db2.gz CGSJAKBFBFOJPD-NJAFHUGGSA-N 2 0 361.490 0.847 20 0 FCADRP COCCN(C)C(=O)c1nnc2n1CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)C2 ZINC001280134693 1261013279 /nfs/dbraw/zinc/01/32/79/1261013279.db2.gz FJJSSAOEWPQWIM-CQSZACIVSA-N 2 0 364.494 0.243 20 0 FCADRP CN(C)C(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@]12c1ccccc1NC2=O ZINC001280138375 1261014724 /nfs/dbraw/zinc/01/47/24/1261014724.db2.gz XHHGFTUUEIZORI-UZLBHIALSA-N 2 0 356.470 0.896 20 0 FCADRP CC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280169758 1261019626 /nfs/dbraw/zinc/01/96/26/1261019626.db2.gz KGGBYERHSYSDLN-CEXWTWQISA-N 2 0 362.518 0.777 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001332331109 1266378868 /nfs/dbraw/zinc/37/88/68/1266378868.db2.gz IGEDNRQTFWBKEP-WNRNVDISSA-N 2 0 356.470 0.573 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280211035 1261033760 /nfs/dbraw/zinc/03/37/60/1261033760.db2.gz MAZUSAZQCNSYFO-SQNIBIBYSA-N 2 0 365.518 0.960 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280216446 1261036427 /nfs/dbraw/zinc/03/64/27/1261036427.db2.gz SVEPGAWDJKJHRS-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1CCC[C@@]12CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255142 1261041829 /nfs/dbraw/zinc/04/18/29/1261041829.db2.gz FBGXTBCERNQJGV-DAYGRLMNSA-N 2 0 361.494 0.983 20 0 FCADRP CC[N@@H+]1C[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2cn(C)cn2)C1 ZINC001280260502 1261043678 /nfs/dbraw/zinc/04/36/78/1261043678.db2.gz UQAHQYWOPWFNJY-HZPDHXFCSA-N 2 0 359.478 0.852 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001281839534 1261223367 /nfs/dbraw/zinc/22/33/67/1261223367.db2.gz JBTXETADWDVTBG-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)CCC1 ZINC001281899572 1261268899 /nfs/dbraw/zinc/26/88/99/1261268899.db2.gz SLNBFYKUKGLPOM-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP COC[C@@H](O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1 ZINC001285005058 1261801062 /nfs/dbraw/zinc/80/10/62/1261801062.db2.gz PJKKIDZOKDNQCL-XOKHGSTOSA-N 2 0 367.465 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580321766 1278122975 /nfs/dbraw/zinc/12/29/75/1278122975.db2.gz IAWJTPOBMKWDER-UKPHBRMFSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580324039 1278124829 /nfs/dbraw/zinc/12/48/29/1278124829.db2.gz ATUZNMGHGRNISI-DVOMOZLQSA-N 2 0 370.461 0.284 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001289647902 1262288092 /nfs/dbraw/zinc/28/80/92/1262288092.db2.gz TTXLECFTNKECJG-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290873473 1262525395 /nfs/dbraw/zinc/52/53/95/1262525395.db2.gz FFNLAOCZQQHOPX-GOSISDBHSA-N 2 0 362.522 0.965 20 0 FCADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1nnc2n1CCC2 ZINC001311751435 1263262179 /nfs/dbraw/zinc/26/21/79/1263262179.db2.gz ANLXTJOMIWPJPS-RBSFLKMASA-N 2 0 363.510 0.666 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCNC(=O)CC3)CCC2)CC[N@@H+]1C ZINC001484633978 1263480756 /nfs/dbraw/zinc/48/07/56/1263480756.db2.gz BYYVXXHPNNMWIF-OWCLPIDISA-N 2 0 350.507 0.871 20 0 FCADRP CC[N@@H+](CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001485031534 1263496792 /nfs/dbraw/zinc/49/67/92/1263496792.db2.gz QBIPXQFTQRMSIO-NVXWUHKLSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001580385248 1278203413 /nfs/dbraw/zinc/20/34/13/1278203413.db2.gz ADCQYNXPWQAKHG-CHWSQXEVSA-N 2 0 358.450 0.497 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC001318857178 1263617096 /nfs/dbraw/zinc/61/70/96/1263617096.db2.gz ALAMPMYUQANPKC-UHFFFAOYSA-N 2 0 365.566 0.500 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCn3ccnc3C2)CC1 ZINC001320484170 1263803345 /nfs/dbraw/zinc/80/33/45/1263803345.db2.gz PSTQAAXOFWDRHJ-HNNXBMFYSA-N 2 0 362.478 0.440 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)[C@@H](c2ccccc2)C1 ZINC001495943810 1263846595 /nfs/dbraw/zinc/84/65/95/1263846595.db2.gz VFSNWCWULAMYHV-SJORKVTESA-N 2 0 358.486 0.836 20 0 FCADRP Cc1cn(C)c(CC(=O)NCC[NH+]2CCC2)c1C(=O)NCC[NH+]1CCC1 ZINC001321081260 1263903841 /nfs/dbraw/zinc/90/38/41/1263903841.db2.gz NFCBKRPHUXGCCT-UHFFFAOYSA-N 2 0 361.490 0.133 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001497088690 1263915756 /nfs/dbraw/zinc/91/57/56/1263915756.db2.gz NCXDOIFAXOSFHR-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC001321668955 1264028142 /nfs/dbraw/zinc/02/81/42/1264028142.db2.gz ABBCYZDLGNMCNN-UHFFFAOYSA-N 2 0 368.453 0.402 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219303 1264111982 /nfs/dbraw/zinc/11/19/82/1264111982.db2.gz GVJOQZCAWFGFLM-OVYGPGRDSA-N 2 0 350.507 0.632 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001501952299 1264156901 /nfs/dbraw/zinc/15/69/01/1264156901.db2.gz MMZZGDCCTZKICF-ZIAGYGMSSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580400593 1278225824 /nfs/dbraw/zinc/22/58/24/1278225824.db2.gz GMGZQCOZYOPCFB-NEPJUHHUSA-N 2 0 361.425 0.552 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322932492 1264296091 /nfs/dbraw/zinc/29/60/91/1264296091.db2.gz YGKPLBLTNWXWHK-IBGZPJMESA-N 2 0 363.506 0.550 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001323018749 1264318649 /nfs/dbraw/zinc/31/86/49/1264318649.db2.gz QXWOLKWJEYHQQN-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(=O)NC)n1 ZINC001323918286 1264541198 /nfs/dbraw/zinc/54/11/98/1264541198.db2.gz WAJSLTMBATUTJM-OAHLLOKOSA-N 2 0 361.490 0.929 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(=O)NC)n1 ZINC001323918285 1264541406 /nfs/dbraw/zinc/54/14/06/1264541406.db2.gz WAJSLTMBATUTJM-HNNXBMFYSA-N 2 0 361.490 0.929 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001326036686 1265049831 /nfs/dbraw/zinc/04/98/31/1265049831.db2.gz TWUVOPIBOZBWGO-RCCFBDPRSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CC(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC001326185232 1265074780 /nfs/dbraw/zinc/07/47/80/1265074780.db2.gz AWKYQYIUBXZVDP-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001580407081 1278245044 /nfs/dbraw/zinc/24/50/44/1278245044.db2.gz GFYZMMFGWNUXNX-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001326633559 1265147348 /nfs/dbraw/zinc/14/73/48/1265147348.db2.gz NAFHONCHPNGEMZ-OHFALNGGSA-N 2 0 362.478 0.704 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cn1 ZINC001326857912 1265185337 /nfs/dbraw/zinc/18/53/37/1265185337.db2.gz GQLSCPYKAPRRBR-UHFFFAOYSA-N 2 0 372.429 0.504 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001327485583 1265338786 /nfs/dbraw/zinc/33/87/86/1265338786.db2.gz MBESNZUQGFMSLO-UHFFFAOYSA-N 2 0 358.486 1.000 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC001332673705 1266458412 /nfs/dbraw/zinc/45/84/12/1266458412.db2.gz YSKNNXBAEGUJQS-UEXGIBASSA-N 2 0 372.513 0.863 20 0 FCADRP COC(=O)[C@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039605 1266527411 /nfs/dbraw/zinc/52/74/11/1266527411.db2.gz XCYINBYPBFUGRH-QUCCMNQESA-N 2 0 361.486 0.660 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001333407131 1266594187 /nfs/dbraw/zinc/59/41/87/1266594187.db2.gz YPMKUCIFOQCGTK-INIZCTEOSA-N 2 0 366.506 0.109 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC001333678034 1266675218 /nfs/dbraw/zinc/67/52/18/1266675218.db2.gz NSRGXOCGAJCWMU-UHFFFAOYSA-N 2 0 370.497 0.815 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCCC1 ZINC001333886075 1266739035 /nfs/dbraw/zinc/73/90/35/1266739035.db2.gz YQVDTEGZCASLOV-KRWDZBQOSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006129 1266774546 /nfs/dbraw/zinc/77/45/46/1266774546.db2.gz SNBAOXIKCLOLFB-QAETUUGQSA-N 2 0 350.507 0.953 20 0 FCADRP CN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001334241551 1266906141 /nfs/dbraw/zinc/90/61/41/1266906141.db2.gz OEYLPLDTQJFDCQ-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP COC1(OC)CCOC[C@@H]1[NH2+]C/C=C/C[NH2+][C@H]1COCCC1(OC)OC ZINC001335067711 1267312599 /nfs/dbraw/zinc/31/25/99/1267312599.db2.gz OBRSCBZUCDEMPQ-DKLOGILVSA-N 2 0 374.478 0.278 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC001335190877 1267396398 /nfs/dbraw/zinc/39/63/98/1267396398.db2.gz WDLQEMHWUFZTEX-LZLYRXPVSA-N 2 0 369.506 0.123 20 0 FCADRP Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[NH+](C)C ZINC001543292977 1267539381 /nfs/dbraw/zinc/53/93/81/1267539381.db2.gz INUIWETZVJJESH-HNNXBMFYSA-N 2 0 360.510 0.982 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H]1c1ccccc1F ZINC001548937865 1267774823 /nfs/dbraw/zinc/77/48/23/1267774823.db2.gz ISLIZTGDYFYAKY-XNRPHZJLSA-N 2 0 358.421 0.909 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)nn1 ZINC001549045835 1267795124 /nfs/dbraw/zinc/79/51/24/1267795124.db2.gz ALNHCDYADDEVBG-YOEHRIQHSA-N 2 0 372.429 0.101 20 0 FCADRP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114109 1267814153 /nfs/dbraw/zinc/81/41/53/1267814153.db2.gz BHFWGFNJDGYHAF-QFBILLFUSA-N 2 0 358.490 0.576 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)n1 ZINC001549213617 1267859078 /nfs/dbraw/zinc/85/90/78/1267859078.db2.gz CXANXFFFWQIQHD-GJZGRUSLSA-N 2 0 356.430 0.586 20 0 FCADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nnn1[C@@H]1CC[NH2+]C1 ZINC001549293014 1267891910 /nfs/dbraw/zinc/89/19/10/1267891910.db2.gz QWPKMWMZBBRVLE-JJXSEGSLSA-N 2 0 362.478 0.622 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCOCC1 ZINC001549302427 1267897448 /nfs/dbraw/zinc/89/74/48/1267897448.db2.gz QZORLTHMZTZPCJ-AWEZNQCLSA-N 2 0 362.478 0.033 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC001338348201 1267914905 /nfs/dbraw/zinc/91/49/05/1267914905.db2.gz XJUYPZIBQBIKCW-MRXNPFEDSA-N 2 0 373.501 0.976 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001338522156 1267971309 /nfs/dbraw/zinc/97/13/09/1267971309.db2.gz XOQLBRLRRUQYCA-MRXNPFEDSA-N 2 0 353.511 0.761 20 0 FCADRP c1nn2c(c1C[N@@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CNCC2 ZINC001549754966 1267989134 /nfs/dbraw/zinc/98/91/34/1267989134.db2.gz XPEIJHGLELTPOA-HNNXBMFYSA-N 2 0 370.505 0.499 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H](C[NH3+])Cc3ccccc32)nn1 ZINC001549756167 1267990491 /nfs/dbraw/zinc/99/04/91/1267990491.db2.gz GMCOAWNPLYPEBI-JCKWVBRZSA-N 2 0 370.457 0.144 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001338583133 1267995763 /nfs/dbraw/zinc/99/57/63/1267995763.db2.gz REDACQIDHOEXSN-UHFFFAOYSA-N 2 0 374.529 0.625 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CCC[N@H+](CCO)C3)cn2)CC1 ZINC001550040872 1268061754 /nfs/dbraw/zinc/06/17/54/1268061754.db2.gz LUQCUUJDPZCGSS-CQSZACIVSA-N 2 0 350.467 0.728 20 0 FCADRP Cc1c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001550090815 1268072315 /nfs/dbraw/zinc/07/23/15/1268072315.db2.gz UENDVKGMKOLUGA-JKSUJKDBSA-N 2 0 362.478 0.352 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C[C@@H]2[NH3+])cc1 ZINC001550107392 1268075015 /nfs/dbraw/zinc/07/50/15/1268075015.db2.gz CSYCAAHQWAEELI-ROUUACIJSA-N 2 0 369.469 0.924 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550266059 1268100198 /nfs/dbraw/zinc/10/01/98/1268100198.db2.gz QVZLZJKRXOBLKC-PKOBYXMFSA-N 2 0 357.502 0.905 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001550286470 1268104512 /nfs/dbraw/zinc/10/45/12/1268104512.db2.gz VOFLJWWTUAXALK-GVDBMIGSSA-N 2 0 366.506 0.601 20 0 FCADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)[C@@H](O)C2 ZINC001550480923 1268125605 /nfs/dbraw/zinc/12/56/05/1268125605.db2.gz VAULERSZFAFKDS-ILYVXUQDSA-N 2 0 353.507 0.551 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550725087 1268155525 /nfs/dbraw/zinc/15/55/25/1268155525.db2.gz YYJSVBBREHZILA-FZMWSMFESA-N 2 0 361.490 0.781 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@H]2[NH3+])c1 ZINC001550742597 1268158859 /nfs/dbraw/zinc/15/88/59/1268158859.db2.gz ZNSOLTAXNXZLFT-DLBZAZTESA-N 2 0 354.458 0.702 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)C[C@H]2C1 ZINC001550743307 1268160583 /nfs/dbraw/zinc/16/05/83/1268160583.db2.gz BITNVTWBSGSQQF-MUIFIZLQSA-N 2 0 361.494 0.684 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@@H]3CC[NH2+]C3)C[C@@]2(C)C1 ZINC001550753962 1268162512 /nfs/dbraw/zinc/16/25/12/1268162512.db2.gz HTBRGFRSALNNNP-GPMSIDNRSA-N 2 0 359.474 0.915 20 0 FCADRP CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550910708 1268183415 /nfs/dbraw/zinc/18/34/15/1268183415.db2.gz AIFUMXBMCFHKLM-YJBOKZPZSA-N 2 0 364.515 0.943 20 0 FCADRP Cc1cccn2c(=O)cc(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)nc12 ZINC001550914734 1268184373 /nfs/dbraw/zinc/18/43/73/1268184373.db2.gz ZEUDBODLCIDIRK-LPHOPBHVSA-N 2 0 369.469 0.739 20 0 FCADRP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550911703 1268184633 /nfs/dbraw/zinc/18/46/33/1268184633.db2.gz FJNROOHKJQCJBS-YLJYHZDGSA-N 2 0 358.486 0.848 20 0 FCADRP Cn1nc([C@H]2C[C@@H](O)[C@H](C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223537 1268216210 /nfs/dbraw/zinc/21/62/10/1268216210.db2.gz NHKMDLOMWMNIRD-CBBWQLFWSA-N 2 0 351.495 0.436 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC001551466963 1268256747 /nfs/dbraw/zinc/25/67/47/1268256747.db2.gz ANTJRRJVRMJKTF-QZTJIDSGSA-N 2 0 363.481 0.981 20 0 FCADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NCc1ccc(CN3CC[NH2+]CC3)cc1)C2 ZINC001551468344 1268257652 /nfs/dbraw/zinc/25/76/52/1268257652.db2.gz NSJZYLIZUBYNCJ-UYAOXDASSA-N 2 0 357.502 0.843 20 0 FCADRP CC1([NH+]2CCCC2)CCC(NC(=O)N2C[C@@H]([NH3+])[C@H](n3ccnn3)C2)CC1 ZINC001551471624 1268257827 /nfs/dbraw/zinc/25/78/27/1268257827.db2.gz RSZPRLKSHIBBQK-GARNVTTQSA-N 2 0 361.494 0.969 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH2+]CCC23CCOCC3)nn1 ZINC001551468927 1268258023 /nfs/dbraw/zinc/25/80/23/1268258023.db2.gz YQBOEVTZBROXTD-GDBMZVCRSA-N 2 0 362.478 0.705 20 0 FCADRP [NH3+][C@]1(CO)CCCN(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551492693 1268260476 /nfs/dbraw/zinc/26/04/76/1268260476.db2.gz XXBALGFAGFBPCX-IPELMVKDSA-N 2 0 360.458 0.738 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492917 1268261348 /nfs/dbraw/zinc/26/13/48/1268261348.db2.gz YWHILBQXCROBIN-GTACMHHNSA-N 2 0 360.458 0.607 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC001551499075 1268261679 /nfs/dbraw/zinc/26/16/79/1268261679.db2.gz WBUYZTSMUJVJOG-UERKLNTKSA-N 2 0 354.495 0.778 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001551498418 1268261825 /nfs/dbraw/zinc/26/18/25/1268261825.db2.gz QMRLKIZZHAPGLJ-VJFUWPCTSA-N 2 0 354.495 0.515 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CC1 ZINC001551547723 1268264239 /nfs/dbraw/zinc/26/42/39/1268264239.db2.gz YEKPRLLQPBOTCV-HUUCEWRRSA-N 2 0 364.412 0.627 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@@H]1C ZINC001551546889 1268264920 /nfs/dbraw/zinc/26/49/20/1268264920.db2.gz VWIBUCULNFXMEU-JURCDPSOSA-N 2 0 364.412 0.625 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C[C@@]2(C)C1 ZINC001551553023 1268265684 /nfs/dbraw/zinc/26/56/84/1268265684.db2.gz GNOMAVOHTKQSDD-FXRXJOCMSA-N 2 0 363.506 0.226 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC001551555743 1268267984 /nfs/dbraw/zinc/26/79/84/1268267984.db2.gz ONTYRSYMSZJPKZ-NYTXWWLZSA-N 2 0 355.458 0.023 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557270 1268268320 /nfs/dbraw/zinc/26/83/20/1268268320.db2.gz UUHMJVMAYNFRFP-RDJZCZTQSA-N 2 0 365.522 0.759 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551562394 1268271522 /nfs/dbraw/zinc/27/15/22/1268271522.db2.gz MNHJGZGGDRNTDB-DOTOQJQBSA-N 2 0 365.522 0.759 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551573251 1268274593 /nfs/dbraw/zinc/27/45/93/1268274593.db2.gz WLRKOHFBYSRXLE-WMZOPIPTSA-N 2 0 365.522 0.616 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551576888 1268275614 /nfs/dbraw/zinc/27/56/14/1268275614.db2.gz KQSBBJTZUJYKNB-AEFFLSMTSA-N 2 0 365.522 0.761 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551575727 1268275686 /nfs/dbraw/zinc/27/56/86/1268275686.db2.gz GVHNIQFEUTYJJH-IEBWSBKVSA-N 2 0 371.485 0.736 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551578099 1268276459 /nfs/dbraw/zinc/27/64/59/1268276459.db2.gz LZOGMFJJQRULJH-VYDXJSESSA-N 2 0 351.495 0.417 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551581408 1268277682 /nfs/dbraw/zinc/27/76/82/1268277682.db2.gz QXTSLMIPQPOKNR-ZOBUZTSGSA-N 2 0 351.495 0.369 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551582035 1268277966 /nfs/dbraw/zinc/27/79/66/1268277966.db2.gz SUHGYCPBFRHSRS-QILLFSRXSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@]1(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001551582141 1268278348 /nfs/dbraw/zinc/27/83/48/1268278348.db2.gz UAVJAQNYWPBEKF-ZVZYQTTQSA-N 2 0 351.495 0.322 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC001551583080 1268278562 /nfs/dbraw/zinc/27/85/62/1268278562.db2.gz UXOVTBBQBHSEGU-DNNBLBMLSA-N 2 0 351.495 0.402 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551586912 1268279686 /nfs/dbraw/zinc/27/96/86/1268279686.db2.gz CZIIFMLCLMHQPT-SOLBZPMBSA-N 2 0 365.522 0.805 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597768 1268282099 /nfs/dbraw/zinc/28/20/99/1268282099.db2.gz WZDIGDLXMARNRE-WMZOPIPTSA-N 2 0 365.522 0.664 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551598532 1268283358 /nfs/dbraw/zinc/28/33/58/1268283358.db2.gz YGKDDOYRQYALOG-FUHWJXTLSA-N 2 0 365.522 0.664 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)nn1 ZINC001552089174 1268369365 /nfs/dbraw/zinc/36/93/65/1268369365.db2.gz AQWMWNZDSVZCSV-KBAYOESNSA-N 2 0 370.457 0.153 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC1 ZINC001552168342 1268400952 /nfs/dbraw/zinc/40/09/52/1268400952.db2.gz UTRICFYAXYOOMS-JLSDUUJJSA-N 2 0 362.522 0.174 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552168205 1268401030 /nfs/dbraw/zinc/40/10/30/1268401030.db2.gz PJBKKYKRMUSTRG-MRXNPFEDSA-N 2 0 369.473 0.494 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)nn1 ZINC001552179593 1268404033 /nfs/dbraw/zinc/40/40/33/1268404033.db2.gz LPNQPXULWYSVAV-BSWAZPDLSA-N 2 0 362.478 0.065 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC001552201663 1268408149 /nfs/dbraw/zinc/40/81/49/1268408149.db2.gz RHXMXVHPMOVBQN-GQIGUUNPSA-N 2 0 372.469 0.558 20 0 FCADRP C[C@@H]1C[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC001340120116 1268442464 /nfs/dbraw/zinc/44/24/64/1268442464.db2.gz VZOLBAWFZBRGRY-IAGOWNOFSA-N 2 0 360.506 0.883 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340154265 1268453050 /nfs/dbraw/zinc/45/30/50/1268453050.db2.gz HZBWFNAPEIRSKC-NVXWUHKLSA-N 2 0 354.495 0.236 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552429584 1268460981 /nfs/dbraw/zinc/46/09/81/1268460981.db2.gz IAOZHFDDVCUGNV-ULQDDVLXSA-N 2 0 354.458 0.935 20 0 FCADRP Cc1c(C(=O)N2C[C@H]([NH3+])[C@H](c3cccc(F)c3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552429746 1268461347 /nfs/dbraw/zinc/46/13/47/1268461347.db2.gz BOUZPQOLRGSDLA-PMPSAXMXSA-N 2 0 358.421 0.827 20 0 FCADRP C[C@@H]1Cn2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2CN1 ZINC001340181597 1268462198 /nfs/dbraw/zinc/46/21/98/1268462198.db2.gz HWXKLULQUFGYLB-OAHLLOKOSA-N 2 0 350.511 0.720 20 0 FCADRP Cc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434206 1268462276 /nfs/dbraw/zinc/46/22/76/1268462276.db2.gz DBHPSMFLNRPOTF-MRXNPFEDSA-N 2 0 362.478 0.305 20 0 FCADRP Cc1c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435281 1268462440 /nfs/dbraw/zinc/46/24/40/1268462440.db2.gz CXTVTEHMIDXUIX-HOCLYGCPSA-N 2 0 361.494 0.019 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552692669 1268521406 /nfs/dbraw/zinc/52/14/06/1268521406.db2.gz GSJVYCXBCWMZAR-CYBMUJFWSA-N 2 0 374.411 0.443 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001552799321 1268550367 /nfs/dbraw/zinc/55/03/67/1268550367.db2.gz ZNWYLNDQFBKJFC-BSDSXHPESA-N 2 0 367.538 0.515 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C(F)F)C[C@@H]12 ZINC001552836328 1268556762 /nfs/dbraw/zinc/55/67/62/1268556762.db2.gz CLIBYCUNYBXDIO-YUSALJHKSA-N 2 0 354.405 0.950 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552840021 1268557866 /nfs/dbraw/zinc/55/78/66/1268557866.db2.gz YQEQEFRGSOJDFI-WDEREUQCSA-N 2 0 358.393 0.153 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552839938 1268558567 /nfs/dbraw/zinc/55/85/67/1268558567.db2.gz YQEQEFRGSOJDFI-GHMZBOCLSA-N 2 0 358.393 0.153 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC001552847440 1268558996 /nfs/dbraw/zinc/55/89/96/1268558996.db2.gz UUGIBCRUIYYTKZ-CHWSQXEVSA-N 2 0 363.487 0.303 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC001552910914 1268565203 /nfs/dbraw/zinc/56/52/03/1268565203.db2.gz HLCTZLBWZMQVFE-GOSISDBHSA-N 2 0 372.517 0.343 20 0 FCADRP CC[C@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552957513 1268569463 /nfs/dbraw/zinc/56/94/63/1268569463.db2.gz JVSKTQKDEPQMQG-HUUCEWRRSA-N 2 0 351.495 0.642 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@@H]2C1 ZINC001553383560 1268640896 /nfs/dbraw/zinc/64/08/96/1268640896.db2.gz QMTBNVFYVXHHMP-RDTXWAMCSA-N 2 0 364.877 0.727 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553389032 1268641937 /nfs/dbraw/zinc/64/19/37/1268641937.db2.gz ICMGRXKNPSDPQB-MGPUTAFESA-N 2 0 370.453 0.815 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553388043 1268642850 /nfs/dbraw/zinc/64/28/50/1268642850.db2.gz DGYJKWOHBMPVPJ-LIRRHRJNSA-N 2 0 371.441 0.218 20 0 FCADRP CN(C)C(=O)COc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553389568 1268643036 /nfs/dbraw/zinc/64/30/36/1268643036.db2.gz MYFSQNRHPARKHK-OXJNMPFZSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415278 1268646817 /nfs/dbraw/zinc/64/68/17/1268646817.db2.gz SOGFPNUMMNAEHP-FLXSYLCISA-N 2 0 350.507 0.523 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553448060 1268651771 /nfs/dbraw/zinc/65/17/71/1268651771.db2.gz IUYGKOXOUZXOTM-RDTXWAMCSA-N 2 0 351.495 0.370 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450231 1268653525 /nfs/dbraw/zinc/65/35/25/1268653525.db2.gz ITFIGLJHLBAEOG-DOTOQJQBSA-N 2 0 365.522 0.223 20 0 FCADRP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@@H]1CN(C)CCO1 ZINC001553460702 1268654697 /nfs/dbraw/zinc/65/46/97/1268654697.db2.gz AKTLAGGGQRQBBI-QILLFSRXSA-N 2 0 354.495 0.493 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001553456532 1268654737 /nfs/dbraw/zinc/65/47/37/1268654737.db2.gz CPAYRXWRLYBURU-DNVCBOLYSA-N 2 0 365.522 0.746 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)NC[C@]34CCC[C@H]3[NH2+]CC4)n2)C1 ZINC001553535067 1268666105 /nfs/dbraw/zinc/66/61/05/1268666105.db2.gz YUDBSAIDHIOJKA-IDHHARJASA-N 2 0 358.490 0.950 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@H]3C[C@@H]3C3CC[NH2+]CC3)n2)C1 ZINC001553547950 1268667844 /nfs/dbraw/zinc/66/78/44/1268667844.db2.gz IEAWZYJONNGQAA-OIISXLGYSA-N 2 0 358.490 0.806 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001340894927 1268697500 /nfs/dbraw/zinc/69/75/00/1268697500.db2.gz MLDCLXNKOMTYHM-GOSISDBHSA-N 2 0 361.490 0.867 20 0 FCADRP Cc1c(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)nnn1[C@H]1CC[NH2+]C1 ZINC001554047355 1268748931 /nfs/dbraw/zinc/74/89/31/1268748931.db2.gz UCEQGMKCOSPHLM-ZDUSSCGKSA-N 2 0 367.417 0.617 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001556855031 1268900869 /nfs/dbraw/zinc/90/08/69/1268900869.db2.gz NZJUYZLSBGKYLC-LSDHHAIUSA-N 2 0 372.510 0.404 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001341663936 1269139449 /nfs/dbraw/zinc/13/94/49/1269139449.db2.gz JLJFNZPISFSVGZ-IXDOHACOSA-N 2 0 368.522 0.279 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001341712153 1269164838 /nfs/dbraw/zinc/16/48/38/1269164838.db2.gz JNLWLOWKMUJPHE-MSOLQXFVSA-N 2 0 373.501 0.695 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001342084303 1269339357 /nfs/dbraw/zinc/33/93/57/1269339357.db2.gz CNFJUGBRNPUDHT-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001565775402 1269493077 /nfs/dbraw/zinc/49/30/77/1269493077.db2.gz FPIGLHIHCQNZFU-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@@H+]1C ZINC001565866151 1269498094 /nfs/dbraw/zinc/49/80/94/1269498094.db2.gz ZCHMAPVAJFVBQN-OVYGPGRDSA-N 2 0 366.506 0.106 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC1 ZINC001566048520 1269581470 /nfs/dbraw/zinc/58/14/70/1269581470.db2.gz RDLPCOLLBZQIHX-SJORKVTESA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001566673706 1269657110 /nfs/dbraw/zinc/65/71/10/1269657110.db2.gz PQWDOLCMCKPNJT-KRWDZBQOSA-N 2 0 359.474 0.522 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001342929637 1269683549 /nfs/dbraw/zinc/68/35/49/1269683549.db2.gz JZSPIMFFOHFNSS-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001342936174 1269686960 /nfs/dbraw/zinc/68/69/60/1269686960.db2.gz KRGDKEMLPWCDKY-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001343064504 1269753212 /nfs/dbraw/zinc/75/32/12/1269753212.db2.gz CZWZSSHMKJIUJV-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP Cc1cnn(CC2CC2)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001343317523 1269858278 /nfs/dbraw/zinc/85/82/78/1269858278.db2.gz BXLJGDXOSWEOQF-UHFFFAOYSA-N 2 0 364.494 0.492 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001343359425 1269876381 /nfs/dbraw/zinc/87/63/81/1269876381.db2.gz KUIJEHAZTGVQCU-UHFFFAOYSA-N 2 0 362.474 0.915 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001343693526 1269984086 /nfs/dbraw/zinc/98/40/86/1269984086.db2.gz HKRYWVIQLKUMHT-SJORKVTESA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001573518216 1270804170 /nfs/dbraw/zinc/80/41/70/1270804170.db2.gz FFFBHGYQQNEHCU-INIZCTEOSA-N 2 0 350.511 0.855 20 0 FCADRP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001573518849 1270806822 /nfs/dbraw/zinc/80/68/22/1270806822.db2.gz VDAKLKCNYKRYKA-INIZCTEOSA-N 2 0 350.511 0.733 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573976087 1270970245 /nfs/dbraw/zinc/97/02/45/1270970245.db2.gz WCSWDUFZFQQYIS-JKSUJKDBSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573982361 1270974030 /nfs/dbraw/zinc/97/40/30/1270974030.db2.gz NSJNBSOMHJEFAC-ZOWXZIJZSA-N 2 0 358.450 0.329 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574252468 1271122129 /nfs/dbraw/zinc/12/21/29/1271122129.db2.gz IDLHGKKKMMCVED-LBPRGKRZSA-N 2 0 363.491 0.959 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574259802 1271129592 /nfs/dbraw/zinc/12/95/92/1271129592.db2.gz AIZOIZITKROLJG-MRXNPFEDSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574260757 1271135548 /nfs/dbraw/zinc/13/55/48/1271135548.db2.gz WHHSKDBVPIZHKC-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261655 1271136513 /nfs/dbraw/zinc/13/65/13/1271136513.db2.gz KREMLUGTYBPRKG-UKRRQHHQSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574262027 1271138028 /nfs/dbraw/zinc/13/80/28/1271138028.db2.gz NQHVCSCTODMLJT-UHFFFAOYSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574264735 1271141133 /nfs/dbraw/zinc/14/11/33/1271141133.db2.gz LFOAWNAPBNGVTI-SHTZXODSSA-N 2 0 357.462 0.944 20 0 FCADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288937 1271164121 /nfs/dbraw/zinc/16/41/21/1271164121.db2.gz UXDYJZHKDKUWPD-CZUORRHYSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288935 1271165802 /nfs/dbraw/zinc/16/58/02/1271165802.db2.gz UXDYJZHKDKUWPD-BBRMVZONSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574606422 1271413697 /nfs/dbraw/zinc/41/36/97/1271413697.db2.gz IEAUOXBGMLYUHQ-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574670781 1271472135 /nfs/dbraw/zinc/47/21/35/1271472135.db2.gz CJCITEYPRPARLR-IHRRRGAJSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574672066 1271474206 /nfs/dbraw/zinc/47/42/06/1271474206.db2.gz SXSFLHJCDUGCDP-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574672244 1271474233 /nfs/dbraw/zinc/47/42/33/1271474233.db2.gz VIBAODARRJLQTO-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673126 1271477688 /nfs/dbraw/zinc/47/76/88/1271477688.db2.gz ZGYDMMMOQUKRRA-XJKSGUPXSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574672666 1271477883 /nfs/dbraw/zinc/47/78/83/1271477883.db2.gz YBOCNQSYPIZCMM-QWHCGFSZSA-N 2 0 358.450 0.332 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001580654888 1278637259 /nfs/dbraw/zinc/63/72/59/1278637259.db2.gz PUDHYEAJLYIDRK-CABCVRRESA-N 2 0 350.467 0.169 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574803221 1271540868 /nfs/dbraw/zinc/54/08/68/1271540868.db2.gz BLKWKHPGPJLYNJ-QWHCGFSZSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574805397 1271545361 /nfs/dbraw/zinc/54/53/61/1271545361.db2.gz RWBOHRCQOZLZMT-IUODEOHRSA-N 2 0 370.461 0.544 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873961 1271626528 /nfs/dbraw/zinc/62/65/28/1271626528.db2.gz PDNSSZOWLTVCCL-BBRMVZONSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874824 1271629167 /nfs/dbraw/zinc/62/91/67/1271629167.db2.gz DVHZWCKLRIWVCF-DGCLKSJQSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574876486 1271633983 /nfs/dbraw/zinc/63/39/83/1271633983.db2.gz LXYWEJIWGZZQBB-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877299 1271637768 /nfs/dbraw/zinc/63/77/68/1271637768.db2.gz QUKRLZYZGHUSRO-DGCLKSJQSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574889671 1271651066 /nfs/dbraw/zinc/65/10/66/1271651066.db2.gz XSLAJRZCIOUFAL-DYVFJYSZSA-N 2 0 369.473 0.803 20 0 FCADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H](O)C2CC[NH2+]CC2)CC1 ZINC001575068399 1271705451 /nfs/dbraw/zinc/70/54/51/1271705451.db2.gz FGDRGTFLFDJIDK-YJBOKZPZSA-N 2 0 352.523 0.412 20 0 FCADRP CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](C[C@@H](O)C2CC[NH2+]CC2)C1 ZINC001575214489 1271793933 /nfs/dbraw/zinc/79/39/33/1271793933.db2.gz UXFBJZFKJUCKMM-QAPCUYQASA-N 2 0 357.495 0.699 20 0 FCADRP CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](C[C@H](O)C2CC[NH2+]CC2)C1 ZINC001575214487 1271794388 /nfs/dbraw/zinc/79/43/88/1271794388.db2.gz UXFBJZFKJUCKMM-MAUKXSAKSA-N 2 0 357.495 0.699 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575393832 1272039890 /nfs/dbraw/zinc/03/98/90/1272039890.db2.gz XXKYTWJXYNBYMY-VXGBXAGGSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cn2cc(C[NH3+])ccc2n1)[NH+]1CCN(C)CC1 ZINC001575429987 1272094873 /nfs/dbraw/zinc/09/48/73/1272094873.db2.gz YLBLJCIWNOUSIW-QGZVFWFLSA-N 2 0 358.490 0.795 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cn2cc(C[NH3+])ccc2n1)[NH+]1CCN(C)CC1 ZINC001575429986 1272096738 /nfs/dbraw/zinc/09/67/38/1272096738.db2.gz YLBLJCIWNOUSIW-KRWDZBQOSA-N 2 0 358.490 0.795 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437701 1272106659 /nfs/dbraw/zinc/10/66/59/1272106659.db2.gz CJWOKJUXNPGRED-KBPBESRZSA-N 2 0 372.477 0.673 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565849 1272199450 /nfs/dbraw/zinc/19/94/50/1272199450.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 2 0 364.494 0.096 20 0 FCADRP C[C@@H](C[NH2+]CCc1cn[nH]n1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575613360 1272235128 /nfs/dbraw/zinc/23/51/28/1272235128.db2.gz SYRRLDIGEAJIPF-AWEZNQCLSA-N 2 0 352.483 0.142 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001575717125 1272362855 /nfs/dbraw/zinc/36/28/55/1272362855.db2.gz ZXJIDQORWUUPHV-UONOGXRCSA-N 2 0 363.510 0.827 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001575832499 1272497829 /nfs/dbraw/zinc/49/78/29/1272497829.db2.gz BETYTFFCJGUZCA-ZOBUZTSGSA-N 2 0 354.495 0.093 20 0 FCADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)CC[NH+](C)C ZINC001576024791 1272727624 /nfs/dbraw/zinc/72/76/24/1272727624.db2.gz PSZKWSOMUAVZHQ-DZGCQCFKSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001576044987 1272769956 /nfs/dbraw/zinc/76/99/56/1272769956.db2.gz JJOBEYISXUTLMI-OLZOCXBDSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCC[NH+](C)C ZINC001576053722 1272786380 /nfs/dbraw/zinc/78/63/80/1272786380.db2.gz VJNGMMKGBYYPHS-CHWSQXEVSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486382 1273336477 /nfs/dbraw/zinc/33/64/77/1273336477.db2.gz UZJFZDWVFMVVCH-HOTGVXAUSA-N 2 0 350.467 0.386 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576498385 1273358271 /nfs/dbraw/zinc/35/82/71/1273358271.db2.gz KSHXCUMKDCSKDF-JQWIXIFHSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576498384 1273358971 /nfs/dbraw/zinc/35/89/71/1273358971.db2.gz KSHXCUMKDCSKDF-CMPLNLGQSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499172 1273361592 /nfs/dbraw/zinc/36/15/92/1273361592.db2.gz PSKVUHPPUSYIIJ-ABAIWWIYSA-N 2 0 360.466 0.496 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576505699 1273375972 /nfs/dbraw/zinc/37/59/72/1273375972.db2.gz KJEBXEGNSCJWSF-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001576508371 1273379705 /nfs/dbraw/zinc/37/97/05/1273379705.db2.gz IFLZERLVBFZZMB-DFBGVHRSSA-N 2 0 372.477 0.851 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[NH+](C)C ZINC001576512628 1273389323 /nfs/dbraw/zinc/38/93/23/1273389323.db2.gz ROUBUZJPCMLWAC-TWMKSMIVSA-N 2 0 369.473 0.753 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[NH+](C)C ZINC001576512630 1273390364 /nfs/dbraw/zinc/39/03/64/1273390364.db2.gz ROUBUZJPCMLWAC-VVLHAWIVSA-N 2 0 369.473 0.753 20 0 FCADRP CC[C@@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[NH+](C)C ZINC001576513400 1273392086 /nfs/dbraw/zinc/39/20/86/1273392086.db2.gz BHOOMBJRHHVSDD-HNNXBMFYSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576515147 1273398336 /nfs/dbraw/zinc/39/83/36/1273398336.db2.gz FERPSAUFPFPLJX-DFBGVHRSSA-N 2 0 358.450 0.283 20 0 FCADRP CC[C@@H](C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576520601 1273404511 /nfs/dbraw/zinc/40/45/11/1273404511.db2.gz PWIHGDUXGFSAQM-KSSFIOAISA-N 2 0 372.477 0.995 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576748217 1273619914 /nfs/dbraw/zinc/61/99/14/1273619914.db2.gz VGTYTVFBTKKFPU-GOEBONIOSA-N 2 0 364.494 0.680 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H](C[NH2+]Cc2cnn[nH]2)C(C)(C)C)n1 ZINC001576750121 1273620388 /nfs/dbraw/zinc/62/03/88/1273620388.db2.gz MIRTWANVXUXHJT-HNNXBMFYSA-N 2 0 362.482 0.497 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@H]2C[NH2+]CCc2cn[nH]n2)cn1 ZINC001576750197 1273620509 /nfs/dbraw/zinc/62/05/09/1273620509.db2.gz OCHGAXYBMIDDMZ-KRWDZBQOSA-N 2 0 374.493 0.390 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576767259 1273645033 /nfs/dbraw/zinc/64/50/33/1273645033.db2.gz LUKJVBNCUQAWQN-XJKSGUPXSA-N 2 0 374.493 0.885 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001576772779 1273651057 /nfs/dbraw/zinc/65/10/57/1273651057.db2.gz ROFUYCPARZGCCY-IXDOHACOSA-N 2 0 353.511 0.032 20 0 FCADRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576776181 1273658956 /nfs/dbraw/zinc/65/89/56/1273658956.db2.gz HWHOXOPHUYWOBX-DOMZBBRYSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794618 1273696577 /nfs/dbraw/zinc/69/65/77/1273696577.db2.gz FCKFYVMWBRUPHP-HOTGVXAUSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576816905 1273734752 /nfs/dbraw/zinc/73/47/52/1273734752.db2.gz LTTZMZSEYZNQCW-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576818073 1273740172 /nfs/dbraw/zinc/74/01/72/1273740172.db2.gz XHSARCCVVPLNLS-AWEZNQCLSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)[NH+](C)C)CC[NH2+]1 ZINC001576825583 1273749715 /nfs/dbraw/zinc/74/97/15/1273749715.db2.gz JACHJENPXHCYIW-BBRMVZONSA-N 2 0 356.478 0.873 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1[NH3+] ZINC001576830285 1273755476 /nfs/dbraw/zinc/75/54/76/1273755476.db2.gz FOEVUGCTVPMMGU-ZXFNITATSA-N 2 0 364.494 0.370 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576830541 1273757133 /nfs/dbraw/zinc/75/71/33/1273757133.db2.gz GYVGDLGROIMELG-IIDMSEBBSA-N 2 0 364.494 0.037 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N(CC[NH2+]CCc2cn[nH]n2)Cc2ccccc2)C1 ZINC001576876835 1273858850 /nfs/dbraw/zinc/85/88/50/1273858850.db2.gz BFGQASVEZRKEIF-QGZVFWFLSA-N 2 0 356.474 0.917 20 0 FCADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H](C[NH2+]CCc1cn[nH]n1)C1CC1 ZINC001576881666 1273862890 /nfs/dbraw/zinc/86/28/90/1273862890.db2.gz FJWDMMBRQDYAFA-KRWDZBQOSA-N 2 0 364.494 0.285 20 0 FCADRP CN(C(=O)COC1CC[NH+](C)CC1)[C@H](C[NH2+]CCc1cn[nH]n1)C1CC1 ZINC001576881667 1273862930 /nfs/dbraw/zinc/86/29/30/1273862930.db2.gz FJWDMMBRQDYAFA-QGZVFWFLSA-N 2 0 364.494 0.285 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH3+])C1 ZINC001576995065 1274029009 /nfs/dbraw/zinc/02/90/09/1274029009.db2.gz IKKHWPJQGMCRLH-HUUCEWRRSA-N 2 0 365.526 0.932 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577548010 1274486849 /nfs/dbraw/zinc/48/68/49/1274486849.db2.gz ZHHJHANOTDLQDC-MRXNPFEDSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577553795 1274495145 /nfs/dbraw/zinc/49/51/45/1274495145.db2.gz IYOHRCWZWGKOCJ-UKRRQHHQSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558192 1274500557 /nfs/dbraw/zinc/50/05/57/1274500557.db2.gz CTMUVSZPVDQFLV-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1CC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558761 1274504137 /nfs/dbraw/zinc/50/41/37/1274504137.db2.gz MWYXFVLVLAOWLZ-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577561152 1274509882 /nfs/dbraw/zinc/50/98/82/1274509882.db2.gz RIJQGSCSLLQGLX-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577568246 1274528543 /nfs/dbraw/zinc/52/85/43/1274528543.db2.gz NMPLYFWSQIZQOC-CQSZACIVSA-N 2 0 374.493 0.983 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573794 1274537515 /nfs/dbraw/zinc/53/75/15/1274537515.db2.gz BVFMGFUOLRXINE-AWEZNQCLSA-N 2 0 372.477 0.936 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576291 1274543055 /nfs/dbraw/zinc/54/30/55/1274543055.db2.gz VBMCIYCMPUUYOU-BETUJISGSA-N 2 0 358.450 0.475 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH2+]C)C1 ZINC001577681299 1274730415 /nfs/dbraw/zinc/73/04/15/1274730415.db2.gz QQLOEPADANCPDI-ILXRZTDVSA-N 2 0 363.510 0.758 20 0 FCADRP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577687861 1274740956 /nfs/dbraw/zinc/74/09/56/1274740956.db2.gz UJTZVYSQBALLLC-OAHLLOKOSA-N 2 0 363.510 0.783 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC001577691087 1274751602 /nfs/dbraw/zinc/75/16/02/1274751602.db2.gz JNQRGMGFZUMGCI-QKPAOTATSA-N 2 0 357.520 0.199 20 0 FCADRP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1)C(C)C ZINC001577731515 1274807212 /nfs/dbraw/zinc/80/72/12/1274807212.db2.gz SRCXPMQZBPYMFW-OAHLLOKOSA-N 2 0 363.510 0.887 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3C[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775996 1274866832 /nfs/dbraw/zinc/86/68/32/1274866832.db2.gz UWYRXHJHKRMOPS-ZWKOTPCHSA-N 2 0 361.538 0.802 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852567 1274995842 /nfs/dbraw/zinc/99/58/42/1274995842.db2.gz USERMDIVQCNWLD-WBMJQRKESA-N 2 0 372.477 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869685 1275054795 /nfs/dbraw/zinc/05/47/95/1275054795.db2.gz OMPQCZXOYFGODM-BETUJISGSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577869727 1275055345 /nfs/dbraw/zinc/05/53/45/1275055345.db2.gz RLIYEMGTIWVUDK-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577871989 1275060881 /nfs/dbraw/zinc/06/08/81/1275060881.db2.gz SDXGDZCHLRRRME-JOCQHMNTSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882372 1275080556 /nfs/dbraw/zinc/08/05/56/1275080556.db2.gz AZVTXCDHAFSROB-KBPBESRZSA-N 2 0 372.477 0.532 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577882941 1275084091 /nfs/dbraw/zinc/08/40/91/1275084091.db2.gz PQPOVNNLELJAEP-CHWSQXEVSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577883371 1275085350 /nfs/dbraw/zinc/08/53/50/1275085350.db2.gz ZNKOVXCLQDFJHG-KBPBESRZSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883247 1275086571 /nfs/dbraw/zinc/08/65/71/1275086571.db2.gz XKYJVEUFNHERKG-SFHVURJKSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888914 1275097426 /nfs/dbraw/zinc/09/74/26/1275097426.db2.gz ZXGCPELMOIPGMX-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577891469 1275098468 /nfs/dbraw/zinc/09/84/68/1275098468.db2.gz DGFMZVKOGNVJCC-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577891445 1275099261 /nfs/dbraw/zinc/09/92/61/1275099261.db2.gz CQRUKHPBCIDUPY-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH2+][C@H](C)Cn1c(C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001577894187 1275103793 /nfs/dbraw/zinc/10/37/93/1275103793.db2.gz NRWLPBWIUYLHEJ-OAHLLOKOSA-N 2 0 363.510 0.329 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895829 1275107126 /nfs/dbraw/zinc/10/71/26/1275107126.db2.gz PELTXXKVNBZVFT-CQSZACIVSA-N 2 0 372.477 0.854 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577898628 1275108651 /nfs/dbraw/zinc/10/86/51/1275108651.db2.gz CVVQSDURNXYHFZ-HDJSIYSDSA-N 2 0 372.477 0.641 20 0 FCADRP CCN(CCNC(=O)C1([NH+](C)C)CCC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577933501 1275148688 /nfs/dbraw/zinc/14/86/88/1275148688.db2.gz BEFNLKYTUUCFTL-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP CCN(CCNC(=O)C1CC[NH+](C)CC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577949494 1275171025 /nfs/dbraw/zinc/17/10/25/1275171025.db2.gz JWKQRTWXMAPLGO-UHFFFAOYSA-N 2 0 372.477 0.854 20 0 FCADRP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)CC[NH+](C)C ZINC001578105235 1275407946 /nfs/dbraw/zinc/40/79/46/1275407946.db2.gz QCOWKUKMBQBJGT-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1([NH+](C)C)CCC1 ZINC001578136434 1275434568 /nfs/dbraw/zinc/43/45/68/1275434568.db2.gz PZNCJEVEJQJKPT-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001578136220 1275435278 /nfs/dbraw/zinc/43/52/78/1275435278.db2.gz OHFCAIJDHCFQPC-MRXNPFEDSA-N 2 0 372.477 0.818 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219542 1275517190 /nfs/dbraw/zinc/51/71/90/1275517190.db2.gz MNLFSMSZEBMMLH-CZUORRHYSA-N 2 0 372.477 0.783 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578221418 1275520591 /nfs/dbraw/zinc/52/05/91/1275520591.db2.gz WXYLDMPRIIHJHX-DVOMOZLQSA-N 2 0 370.461 0.617 20 0 FCADRP CCc1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578308184 1275643516 /nfs/dbraw/zinc/64/35/16/1275643516.db2.gz DTTBQGRLQQRUAD-GJZGRUSLSA-N 2 0 350.511 0.861 20 0 FCADRP CCc1nnc(N2CC[C@H]([NH3+])C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001578328644 1275675323 /nfs/dbraw/zinc/67/53/23/1275675323.db2.gz JRNDNMLUAQMLJF-LSDHHAIUSA-N 2 0 363.510 0.321 20 0 FCADRP CCc1nnc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001578331257 1275677488 /nfs/dbraw/zinc/67/74/88/1275677488.db2.gz QNYDZOPDAVFOAF-ZACQAIPSSA-N 2 0 362.522 0.997 20 0 FCADRP C[NH+](C)C1(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC001578409598 1275782330 /nfs/dbraw/zinc/78/23/30/1275782330.db2.gz ZLZSQRSTIZGOHU-AWEZNQCLSA-N 2 0 359.478 0.921 20 0 FCADRP C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001578413145 1275784649 /nfs/dbraw/zinc/78/46/49/1275784649.db2.gz HDSNSUMYLMEMNX-CQSZACIVSA-N 2 0 363.510 0.526 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578418095 1275785824 /nfs/dbraw/zinc/78/58/24/1275785824.db2.gz IHVBSSUVXSQSEL-MAUKXSAKSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578418096 1275786251 /nfs/dbraw/zinc/78/62/51/1275786251.db2.gz IHVBSSUVXSQSEL-YJBOKZPZSA-N 2 0 372.477 0.674 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC001578418360 1275787689 /nfs/dbraw/zinc/78/76/89/1275787689.db2.gz JHDFVTLHQFHIIB-KSZLIROESA-N 2 0 360.502 0.909 20 0 FCADRP CN(C)Cc1nc(CNC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)co1 ZINC001578421033 1275790238 /nfs/dbraw/zinc/79/02/38/1275790238.db2.gz ZRZKWZDHNZTENW-AWEZNQCLSA-N 2 0 357.414 0.878 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578444238 1275828017 /nfs/dbraw/zinc/82/80/17/1275828017.db2.gz NNXGYLIUEZSFFN-DZGCQCFKSA-N 2 0 372.477 0.887 20 0 FCADRP CN(C[C@H]1CCCO1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578525803 1275957307 /nfs/dbraw/zinc/95/73/07/1275957307.db2.gz QLTVWPHYEGVNOV-FSZRXZPDSA-N 2 0 364.494 0.165 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)C2)CC1 ZINC001578523010 1275957749 /nfs/dbraw/zinc/95/77/49/1275957749.db2.gz FHGXSVQFPBSXFN-HNNXBMFYSA-N 2 0 357.520 0.344 20 0 FCADRP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525018 1275958185 /nfs/dbraw/zinc/95/81/85/1275958185.db2.gz MJXOMTIEPDDZJG-IRXDYDNUSA-N 2 0 352.523 0.900 20 0 FCADRP CN(Cc1ccoc1)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578526046 1275960303 /nfs/dbraw/zinc/96/03/03/1275960303.db2.gz YDACHNSUHDUVLG-MAUKXSAKSA-N 2 0 360.462 0.999 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@]3(O)CCC[NH2+]CC3)CC2)CC1 ZINC001578532557 1275963485 /nfs/dbraw/zinc/96/34/85/1275963485.db2.gz LMAWUQWJXGTDBZ-IBGZPJMESA-N 2 0 352.523 0.367 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578533637 1275964802 /nfs/dbraw/zinc/96/48/02/1275964802.db2.gz QKZLBBDSXGMHPG-SFHVURJKSA-N 2 0 357.502 0.980 20 0 FCADRP CNC(=O)CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[NH+]1CCCCC1 ZINC001578553303 1275980627 /nfs/dbraw/zinc/98/06/27/1275980627.db2.gz PKAKAGGLNVGTAQ-HNNXBMFYSA-N 2 0 363.510 0.761 20 0 FCADRP O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001580829407 1279008376 /nfs/dbraw/zinc/00/83/76/1279008376.db2.gz UPUQQEAZJRMNCE-CYBMUJFWSA-N 2 0 350.488 0.888 20 0 FCADRP C[NH2+]CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001578721315 1276194215 /nfs/dbraw/zinc/19/42/15/1276194215.db2.gz OVBQNTVHNOLKTC-INIZCTEOSA-N 2 0 371.489 0.861 20 0 FCADRP COC(=O)C1([C@]2(O)CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778253 1276261157 /nfs/dbraw/zinc/26/11/57/1276261157.db2.gz RDCXTGATTSDLHP-SUMDDJOVSA-N 2 0 352.475 0.925 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](CCOCC[NH3+])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001578796624 1276285190 /nfs/dbraw/zinc/28/51/90/1276285190.db2.gz KOXACINXBMOURE-ZDUSSCGKSA-N 2 0 357.451 0.304 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001578840874 1276359855 /nfs/dbraw/zinc/35/98/55/1276359855.db2.gz LOOSIXIUZNUELV-QWQRMKEZSA-N 2 0 353.463 0.084 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001578970895 1276515102 /nfs/dbraw/zinc/51/51/02/1276515102.db2.gz NHBRISDSMSFOBJ-HNNXBMFYSA-N 2 0 370.461 0.332 20 0 FCADRP CN(CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578973597 1276520713 /nfs/dbraw/zinc/52/07/13/1276520713.db2.gz UXAOSHJVQFNMSF-UHFFFAOYSA-N 2 0 363.441 0.848 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578974804 1276524378 /nfs/dbraw/zinc/52/43/78/1276524378.db2.gz UBZVIIDIZHDZCC-KRWDZBQOSA-N 2 0 358.450 0.286 20 0 FCADRP COC[C@@]1(C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C[NH2+]CCO1 ZINC001578975600 1276524543 /nfs/dbraw/zinc/52/45/43/1276524543.db2.gz UEKBQXRHQMPYKJ-HLAWJBBLSA-N 2 0 373.497 0.972 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578974797 1276524877 /nfs/dbraw/zinc/52/48/77/1276524877.db2.gz SZPHSPOHHJWFQW-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578976143 1276526519 /nfs/dbraw/zinc/52/65/19/1276526519.db2.gz PBPGRPAWGPIPJL-KRWDZBQOSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001578979087 1276537850 /nfs/dbraw/zinc/53/78/50/1276537850.db2.gz VKQQNKTYLXUPHI-UHFFFAOYSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001578980332 1276540528 /nfs/dbraw/zinc/54/05/28/1276540528.db2.gz HBHWQZYVPZOZHH-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001578980258 1276540753 /nfs/dbraw/zinc/54/07/53/1276540753.db2.gz FEELRXHNVQMTBW-DEZZGGKRSA-N 2 0 356.434 0.012 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578980922 1276542214 /nfs/dbraw/zinc/54/22/14/1276542214.db2.gz QXNPZQBANYKFRG-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578980998 1276542340 /nfs/dbraw/zinc/54/23/40/1276542340.db2.gz RYLYNDSEQANSCK-UHFFFAOYSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578981237 1276542380 /nfs/dbraw/zinc/54/23/80/1276542380.db2.gz VJWOZHYSGKATJT-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578985473 1276551771 /nfs/dbraw/zinc/55/17/71/1276551771.db2.gz IIMDEKFMFMNSEN-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP COC[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001578989984 1276563933 /nfs/dbraw/zinc/56/39/33/1276563933.db2.gz VMLXXFMPIXPHSZ-ILXRZTDVSA-N 2 0 352.483 0.504 20 0 FCADRP COCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001579019260 1276597704 /nfs/dbraw/zinc/59/77/04/1276597704.db2.gz NMAXJJPUTMIMGL-HRCADAONSA-N 2 0 366.510 0.676 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001579021267 1276600080 /nfs/dbraw/zinc/60/00/80/1276600080.db2.gz LJDQCBXQSLYUOC-LSDHHAIUSA-N 2 0 359.478 0.702 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001579022505 1276601242 /nfs/dbraw/zinc/60/12/42/1276601242.db2.gz YAWUZKCGXZSZST-GDBMZVCRSA-N 2 0 359.478 0.702 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2C[NH2+]C2)C[C@H]1C ZINC001579038533 1276625430 /nfs/dbraw/zinc/62/54/30/1276625430.db2.gz IASVOEJJOTZVPX-CQSZACIVSA-N 2 0 359.478 0.650 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579127346 1276812171 /nfs/dbraw/zinc/81/21/71/1276812171.db2.gz RYWSFOWFAVARBG-ZDUSSCGKSA-N 2 0 363.491 0.961 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579133083 1276827123 /nfs/dbraw/zinc/82/71/23/1276827123.db2.gz UQAGKIMWBIZULH-MRXNPFEDSA-N 2 0 357.462 0.709 20 0 FCADRP COc1cc(C[NH2+][C@@H]2CC(=O)N(C3C[NH2+]C3)C2)ccc1OC(=O)C1CC1 ZINC001579153047 1276893411 /nfs/dbraw/zinc/89/34/11/1276893411.db2.gz QBACCCIBOJPOAP-CQSZACIVSA-N 2 0 359.426 0.673 20 0 FCADRP CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579161995 1276908822 /nfs/dbraw/zinc/90/88/22/1276908822.db2.gz DCUOGEVAGMUFRO-UHFFFAOYSA-N 2 0 358.450 0.689 20 0 FCADRP CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579175794 1276935857 /nfs/dbraw/zinc/93/58/57/1276935857.db2.gz MIQFWVBMHIKHQU-ZDUSSCGKSA-N 2 0 358.450 0.689 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCC[NH+]1CCCC1 ZINC001579214682 1277009027 /nfs/dbraw/zinc/00/90/27/1277009027.db2.gz LQVVQEAIMLBQRJ-UHFFFAOYSA-N 2 0 358.450 0.430 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001579214437 1277009907 /nfs/dbraw/zinc/00/99/07/1277009907.db2.gz CMTODHVUMVQWPY-XJKSGUPXSA-N 2 0 370.461 0.571 20 0 FCADRP COc1cccc(C[C@H]2CN(C(=O)c3cn(C4C[NH2+]C4)nn3)CC[NH2+]2)c1 ZINC001579273925 1277082051 /nfs/dbraw/zinc/08/20/51/1277082051.db2.gz KGRBSPUKZVBRIV-AWEZNQCLSA-N 2 0 356.430 0.088 20 0 FCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322741 1277138401 /nfs/dbraw/zinc/13/84/01/1277138401.db2.gz GKLBBTPTHWPJJB-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579325150 1277142486 /nfs/dbraw/zinc/14/24/86/1277142486.db2.gz AVXKQBZDHYXWJN-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325466 1277147852 /nfs/dbraw/zinc/14/78/52/1277147852.db2.gz CWQBBQUNPWPODO-UONOGXRCSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327003 1277151875 /nfs/dbraw/zinc/15/18/75/1277151875.db2.gz NWHUBEQEGKDTIC-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327921 1277157721 /nfs/dbraw/zinc/15/77/21/1277157721.db2.gz ZHAXXRRGPHBTDX-CVEARBPZSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCC2)C1 ZINC001579331282 1277159806 /nfs/dbraw/zinc/15/98/06/1277159806.db2.gz BVRBSOPQOXGINP-OAHLLOKOSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579331189 1277160113 /nfs/dbraw/zinc/16/01/13/1277160113.db2.gz AROJKIKMQBEMIL-CQSZACIVSA-N 2 0 355.446 0.557 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331604 1277162777 /nfs/dbraw/zinc/16/27/77/1277162777.db2.gz CWTCIBFJKJBCMU-HUUCEWRRSA-N 2 0 355.446 0.509 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC001579332992 1277164741 /nfs/dbraw/zinc/16/47/41/1277164741.db2.gz OKOCXQUSCLREPO-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001579332262 1277165221 /nfs/dbraw/zinc/16/52/21/1277165221.db2.gz KPYWSFKHFQLVRI-CQSZACIVSA-N 2 0 373.436 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333844 1277167944 /nfs/dbraw/zinc/16/79/44/1277167944.db2.gz SKZQIEBZDRTHRS-KXBFYZLASA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001579334038 1277170797 /nfs/dbraw/zinc/17/07/97/1277170797.db2.gz UUIVWPJTWWRUOD-ZDUSSCGKSA-N 2 0 370.461 0.476 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334007 1277170810 /nfs/dbraw/zinc/17/08/10/1277170810.db2.gz UJVGBQUHSPVUSV-RDJZCZTQSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334292 1277171057 /nfs/dbraw/zinc/17/10/57/1277171057.db2.gz WLRRVBDSHDOJIG-HZPDHXFCSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335055 1277173829 /nfs/dbraw/zinc/17/38/29/1277173829.db2.gz MTURHJRGKHSZGR-CABCVRRESA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338380 1277181427 /nfs/dbraw/zinc/18/14/27/1277181427.db2.gz LXCCPSQBBWIVRQ-CVEARBPZSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579339792 1277183592 /nfs/dbraw/zinc/18/35/92/1277183592.db2.gz MOFOWXYLSVTTLC-YUELXQCFSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579340400 1277185269 /nfs/dbraw/zinc/18/52/69/1277185269.db2.gz WWMFELWGHIDNFM-QMCVQRASSA-N 2 0 367.457 0.365 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579343994 1277194003 /nfs/dbraw/zinc/19/40/03/1277194003.db2.gz BMTINHXLAPIFNI-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355048 1277217399 /nfs/dbraw/zinc/21/73/99/1277217399.db2.gz CHJFPPHTLDTMLQ-IAGOWNOFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355263 1277219062 /nfs/dbraw/zinc/21/90/62/1277219062.db2.gz DMTDWZDUTZFMRO-ZBFHGGJFSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358155 1277225593 /nfs/dbraw/zinc/22/55/93/1277225593.db2.gz AIPBTERHHSREHM-DLBZAZTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358911 1277229680 /nfs/dbraw/zinc/22/96/80/1277229680.db2.gz LOFPRACHNKMFRS-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579359501 1277233542 /nfs/dbraw/zinc/23/35/42/1277233542.db2.gz WJVWTCUAQLVKQG-HNNXBMFYSA-N 2 0 361.425 0.696 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579360484 1277235936 /nfs/dbraw/zinc/23/59/36/1277235936.db2.gz JLMIZGDOSYSERQ-UKPHBRMFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579362108 1277237504 /nfs/dbraw/zinc/23/75/04/1277237504.db2.gz QBJVVSAZAUSQGU-NTZNESFSSA-N 2 0 361.475 0.759 20 0 FCADRP C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]1CCC[NH3+] ZINC001579421076 1277290899 /nfs/dbraw/zinc/29/08/99/1277290899.db2.gz YYCMGELCGIZRQD-OAGGEKHMSA-N 2 0 353.511 0.875 20 0 FCADRP C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+]2CCCO)CC[NH2+]1 ZINC001579489636 1277402544 /nfs/dbraw/zinc/40/25/44/1277402544.db2.gz PDKDKXDKRZWGFG-JKSUJKDBSA-N 2 0 373.505 0.918 20 0 FCADRP Cn1cc(-c2nnc(N3CCO[C@H](C[NH3+])C3)n2CCC[NH+]2CCCC2)cn1 ZINC001579951182 1277975956 /nfs/dbraw/zinc/97/59/56/1277975956.db2.gz KBCQFQLTESIVIC-MRXNPFEDSA-N 2 0 374.493 0.328 20 0 FCADRP Cn1cc(-c2nnc(N3CC[C@@H](C[NH3+])C3)n2CCC[NH+]2CCCC2)cn1 ZINC001579949089 1277976102 /nfs/dbraw/zinc/97/61/02/1277976102.db2.gz GECPGJJRCTYHAS-HNNXBMFYSA-N 2 0 358.494 0.950 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001579967290 1277981645 /nfs/dbraw/zinc/98/16/45/1277981645.db2.gz UKCXYLGEHXNTEF-SHTZXODSSA-N 2 0 373.461 0.564 20 0 FCADRP COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580014788 1277990766 /nfs/dbraw/zinc/99/07/66/1277990766.db2.gz JRIJJHBKAKZMMA-GFCCVEGCSA-N 2 0 361.450 0.421 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580277932 1278075038 /nfs/dbraw/zinc/07/50/38/1278075038.db2.gz YYEVSQAAGQWQBO-DMDPSCGWSA-N 2 0 363.491 0.863 20 0 FCADRP O=S(=O)(CC1C[NH2+]C1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001580864022 1279063153 /nfs/dbraw/zinc/06/31/53/1279063153.db2.gz ZFHHVZDVQLMXHW-UHFFFAOYSA-N 2 0 353.488 0.800 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940502 1279148361 /nfs/dbraw/zinc/14/83/61/1279148361.db2.gz AIVSVAPSDWDLNG-JSGCOSHPSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941439 1279149641 /nfs/dbraw/zinc/14/96/41/1279149641.db2.gz HPVWABRKDMGVNP-ZFWWWQNUSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943462 1279150857 /nfs/dbraw/zinc/15/08/57/1279150857.db2.gz IAXODCPNKFXDLL-ZDUSSCGKSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943266 1279151635 /nfs/dbraw/zinc/15/16/35/1279151635.db2.gz BQQRPPLAXCQNHI-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580944830 1279153073 /nfs/dbraw/zinc/15/30/73/1279153073.db2.gz VCJXHLSLRCGXNP-CYBMUJFWSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960441 1279163624 /nfs/dbraw/zinc/16/36/24/1279163624.db2.gz DLDFZEKHCPNQFJ-UHFFFAOYSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CCC[C@@H]2CNC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580966750 1279168602 /nfs/dbraw/zinc/16/86/02/1279168602.db2.gz MJGGXRKHCUSSKU-CYBMUJFWSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CCCC[C@H]2CNC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967921 1279169248 /nfs/dbraw/zinc/16/92/48/1279169248.db2.gz CGBAFKOQQJYECP-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974527 1279174961 /nfs/dbraw/zinc/17/49/61/1279174961.db2.gz HZXIRCIGSVJVNQ-YDHLFZDLSA-N 2 0 368.445 0.454 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974848 1279175912 /nfs/dbraw/zinc/17/59/12/1279175912.db2.gz XOBGEBBPRMUTNC-IHRRRGAJSA-N 2 0 368.445 0.311 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977239 1279177887 /nfs/dbraw/zinc/17/78/87/1279177887.db2.gz HKDVAOABKXXISS-YYWXWVFPSA-N 2 0 368.445 0.073 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991433 1279194417 /nfs/dbraw/zinc/19/44/17/1279194417.db2.gz OZXHWDMKMZQZLH-MRVWCRGKSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993795 1279198893 /nfs/dbraw/zinc/19/88/93/1279198893.db2.gz NKEAVWLMCKSSOZ-MRXNPFEDSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993597 1279199766 /nfs/dbraw/zinc/19/97/66/1279199766.db2.gz JYFDGJMWZVIDQA-HNNXBMFYSA-N 2 0 358.450 0.250 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001714705346 1287332531 /nfs/dbraw/zinc/33/25/31/1287332531.db2.gz FAFNXIIMOVKPSH-JHJVBQTASA-N 2 0 364.412 0.538 20 0 FCADRP Cc1cc(NC2CC(CNC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581001429 1279216813 /nfs/dbraw/zinc/21/68/13/1279216813.db2.gz GZNMDFLURZJAEQ-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003847 1279220330 /nfs/dbraw/zinc/22/03/30/1279220330.db2.gz YFGHWIZEFOHSCV-SEEARECTSA-N 2 0 370.461 0.488 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006309 1279225047 /nfs/dbraw/zinc/22/50/47/1279225047.db2.gz OPVWKVNKIMJKGN-ZFWWWQNUSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007633 1279227587 /nfs/dbraw/zinc/22/75/87/1279227587.db2.gz BUPHUPUWDQKGMG-MLGOLLRUSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010261 1279236765 /nfs/dbraw/zinc/23/67/65/1279236765.db2.gz IFJKMEGATLDITA-ABAIWWIYSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012909 1279239382 /nfs/dbraw/zinc/23/93/82/1279239382.db2.gz DVCDREKMQLFDGL-ZDUSSCGKSA-N 2 0 360.466 0.591 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013110 1279239788 /nfs/dbraw/zinc/23/97/88/1279239788.db2.gz JBWZDDJLLHEEKW-CYBMUJFWSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013658 1279240213 /nfs/dbraw/zinc/24/02/13/1279240213.db2.gz UVPIAIPLFBKRRP-TZMCWYRMSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581020750 1279250966 /nfs/dbraw/zinc/25/09/66/1279250966.db2.gz KIRIURLUYBTWAM-DZGCQCFKSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026011 1279259741 /nfs/dbraw/zinc/25/97/41/1279259741.db2.gz ACYNUOAGUFVFKC-CYBMUJFWSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026980 1279260741 /nfs/dbraw/zinc/26/07/41/1279260741.db2.gz PHVIHYLYJUBEHL-LBPRGKRZSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(NCCN(C)C(=O)CCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028162 1279263051 /nfs/dbraw/zinc/26/30/51/1279263051.db2.gz JBJSRZLWMASQTA-UHFFFAOYSA-N 2 0 372.477 0.738 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031693 1279269587 /nfs/dbraw/zinc/26/95/87/1279269587.db2.gz BHSDUCJFSSBJAO-WFASDCNBSA-N 2 0 358.450 0.393 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001603318283 1287352375 /nfs/dbraw/zinc/35/23/75/1287352375.db2.gz CEQJLBDMYQVBQL-HDJSIYSDSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001603608165 1287438763 /nfs/dbraw/zinc/43/87/63/1287438763.db2.gz MEGSGGCZUFDOCS-OLZOCXBDSA-N 2 0 372.477 0.863 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582099056 1281055108 /nfs/dbraw/zinc/05/51/08/1281055108.db2.gz HVLZTMASYJVNMI-MRXNPFEDSA-N 2 0 355.446 0.653 20 0 FCADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001718181777 1287470053 /nfs/dbraw/zinc/47/00/53/1287470053.db2.gz GIXPOGLZZIGZCC-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582212379 1281193931 /nfs/dbraw/zinc/19/39/31/1281193931.db2.gz IEEXANZMBPDQTA-ZDUSSCGKSA-N 2 0 368.445 0.182 20 0 FCADRP O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001582395356 1281456932 /nfs/dbraw/zinc/45/69/32/1281456932.db2.gz CISLSYWNHRHXRZ-CQSZACIVSA-N 2 0 368.445 0.086 20 0 FCADRP O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582481005 1281620883 /nfs/dbraw/zinc/62/08/83/1281620883.db2.gz YCXCSSNOOYRQOW-UHFFFAOYSA-N 2 0 367.457 0.511 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001589812594 1283035890 /nfs/dbraw/zinc/03/58/90/1283035890.db2.gz AOFREGXJLVROLY-CZUORRHYSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589912651 1283119716 /nfs/dbraw/zinc/11/97/16/1283119716.db2.gz KMTRZRBKUFKFJI-OLZOCXBDSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001590210933 1283339457 /nfs/dbraw/zinc/33/94/57/1283339457.db2.gz WTQGUPCMRBPJMP-OCCSQVGLSA-N 2 0 370.461 0.427 20 0 FCADRP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001590710948 1283745940 /nfs/dbraw/zinc/74/59/40/1283745940.db2.gz FFLXTXQRBMFSBA-CYBMUJFWSA-N 2 0 363.491 0.961 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590732496 1283764180 /nfs/dbraw/zinc/76/41/80/1283764180.db2.gz HVMKFHSNRAHTMB-OAHLLOKOSA-N 2 0 372.477 0.750 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001683308553 1283939037 /nfs/dbraw/zinc/93/90/37/1283939037.db2.gz XKQCBVRPTHAFSI-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001591104670 1284178091 /nfs/dbraw/zinc/17/80/91/1284178091.db2.gz SADMMWREGWIIGC-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001591104557 1284178164 /nfs/dbraw/zinc/17/81/64/1284178164.db2.gz OOJGMFBINQORFA-QGZVFWFLSA-N 2 0 369.473 0.757 20 0 FCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172501 1284254171 /nfs/dbraw/zinc/25/41/71/1284254171.db2.gz VRPGTNCQSCPSMC-JKSUJKDBSA-N 2 0 369.473 0.851 20 0 FCADRP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001591178500 1284277506 /nfs/dbraw/zinc/27/75/06/1284277506.db2.gz KQGXOSMNELMVOH-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001591178490 1284278703 /nfs/dbraw/zinc/27/87/03/1284278703.db2.gz KJALGNNSXRXJBK-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683827 1287730763 /nfs/dbraw/zinc/73/07/63/1287730763.db2.gz NYDHLCRAWSBYJQ-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC001591599542 1284762234 /nfs/dbraw/zinc/76/22/34/1284762234.db2.gz LVUXPTHRUIVGOI-HNNXBMFYSA-N 2 0 373.461 0.565 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996554 1285049501 /nfs/dbraw/zinc/04/95/01/1285049501.db2.gz UBSWZKHFDVKBKK-UHFFFAOYSA-N 2 0 370.461 0.608 20 0 FCADRP Cc1cc(N2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000835 1285052678 /nfs/dbraw/zinc/05/26/78/1285052678.db2.gz ZKSSVTCZCIWQEE-UGSOOPFHSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592038680 1285081027 /nfs/dbraw/zinc/08/10/27/1285081027.db2.gz PLPXWFXOKQEBRC-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047936 1285089442 /nfs/dbraw/zinc/08/94/42/1285089442.db2.gz VKAIPHYNBSJFFV-OAHLLOKOSA-N 2 0 370.461 0.252 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047581 1285091293 /nfs/dbraw/zinc/09/12/93/1285091293.db2.gz NYUXKNXGLVDBNW-HNNXBMFYSA-N 2 0 358.450 0.395 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001604754896 1287763358 /nfs/dbraw/zinc/76/33/58/1287763358.db2.gz YNLGHDBTAMESLZ-OAHLLOKOSA-N 2 0 370.461 0.286 20 0 FCADRP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592864025 1285766578 /nfs/dbraw/zinc/76/65/78/1285766578.db2.gz VVXBXLGRNCIYGW-UPHRSURJSA-N 2 0 373.436 0.864 20 0 FCADRP O=C(NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1C[NH+]2CCC1CC2 ZINC001593058683 1285954478 /nfs/dbraw/zinc/95/44/78/1285954478.db2.gz YHASWRWPSFRQFV-YLSAJCSVSA-N 2 0 368.445 0.110 20 0 FCADRP O=C(NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593089276 1285989116 /nfs/dbraw/zinc/98/91/16/1285989116.db2.gz SWFMHZSVYOTNFR-MRXNPFEDSA-N 2 0 355.446 0.414 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001609284042 1289046089 /nfs/dbraw/zinc/04/60/89/1289046089.db2.gz ZQLRKRUKVVLDGS-SJLPKXTDSA-N 2 0 371.489 0.658 20 0 FCADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504938 1286184735 /nfs/dbraw/zinc/18/47/35/1286184735.db2.gz HBYZEZZFBNENAU-CZUORRHYSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505707 1286184894 /nfs/dbraw/zinc/18/48/94/1286184894.db2.gz PBGYOVYAAPDFMB-ZFWWWQNUSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC001593508432 1286188341 /nfs/dbraw/zinc/18/83/41/1286188341.db2.gz RWJGVIGUKKNCCJ-OAHLLOKOSA-N 2 0 358.446 0.823 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001604865740 1287804069 /nfs/dbraw/zinc/80/40/69/1287804069.db2.gz KEOWPNQLPSHZMG-GOSISDBHSA-N 2 0 371.489 0.612 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001605007520 1287835153 /nfs/dbraw/zinc/83/51/53/1287835153.db2.gz OXBVMSNUQQRBGK-MRXNPFEDSA-N 2 0 373.461 0.311 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001719295654 1288056048 /nfs/dbraw/zinc/05/60/48/1288056048.db2.gz HZWZLAQOVBTSES-IKGGRYGDSA-N 2 0 368.522 0.281 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605719975 1288059369 /nfs/dbraw/zinc/05/93/69/1288059369.db2.gz NHQNMCQFGQMBAG-BFHYXJOUSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733756 1288065606 /nfs/dbraw/zinc/06/56/06/1288065606.db2.gz LARYPTIBWAGXAA-ZIAGYGMSSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605737786 1288068694 /nfs/dbraw/zinc/06/86/94/1288068694.db2.gz RTJXXUUBFQNIJR-WFASDCNBSA-N 2 0 360.466 0.495 20 0 FCADRP Cc1cc(NC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605738148 1288068941 /nfs/dbraw/zinc/06/89/41/1288068941.db2.gz IWMXLXLLRYNQRK-JOCQHMNTSA-N 2 0 358.450 0.250 20 0 FCADRP CCOC1CC(C[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001731365538 1288553135 /nfs/dbraw/zinc/55/31/35/1288553135.db2.gz NJBMKGKKMDNYLH-LWSMDNFKSA-N 2 0 366.550 0.876 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104866 1288663278 /nfs/dbraw/zinc/66/32/78/1288663278.db2.gz RYGANCDULCIZQH-DLBZAZTESA-N 2 0 360.462 0.727 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCCC1 ZINC001735769898 1288889932 /nfs/dbraw/zinc/88/99/32/1288889932.db2.gz ULESUTYBSAUGMT-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912738 1289341352 /nfs/dbraw/zinc/34/13/52/1289341352.db2.gz SLXMDOGBBIZCNW-NXHRZFHOSA-N 2 0 358.486 0.645 20 0 FCADRP CC(C)CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961871 1289351417 /nfs/dbraw/zinc/35/14/17/1289351417.db2.gz RUYCCCVFWAPFCX-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052808 1289376415 /nfs/dbraw/zinc/37/64/15/1289376415.db2.gz KRCIHLDYYQHGDL-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001692087029 1289394994 /nfs/dbraw/zinc/39/49/94/1289394994.db2.gz WHERDNVVQZLMAN-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001692096833 1289398514 /nfs/dbraw/zinc/39/85/14/1289398514.db2.gz HGSSUTLWEQQEIB-VYDXJSESSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001692319609 1289446413 /nfs/dbraw/zinc/44/64/13/1289446413.db2.gz RKDJJYWKOKKRID-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309251 1289550065 /nfs/dbraw/zinc/55/00/65/1289550065.db2.gz XJOQUNAVFOCFAS-PEHGNSNYSA-N 2 0 370.497 0.872 20 0 FCADRP C[C@H](C[NH2+]CC(=O)NCc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699364025 1289551402 /nfs/dbraw/zinc/55/14/02/1289551402.db2.gz YQOGKKIXLARTCA-IIAWOOMASA-N 2 0 364.465 0.876 20 0 FCADRP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309307 1289551438 /nfs/dbraw/zinc/55/14/38/1289551438.db2.gz XRERHVOSVVQMMO-ISMNZJHXSA-N 2 0 358.486 0.858 20 0 FCADRP Cc1nc(CC[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001699896641 1289571206 /nfs/dbraw/zinc/57/12/06/1289571206.db2.gz BMWWRSKDAIGMFN-QBIMZIAESA-N 2 0 366.531 0.887 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001615788446 1289761710 /nfs/dbraw/zinc/76/17/10/1289761710.db2.gz SMFHDNQEALHTIW-UHFFFAOYSA-N 2 0 353.515 0.703 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001739449278 1290014464 /nfs/dbraw/zinc/01/44/64/1290014464.db2.gz MGHRJTHXBRMLIC-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739457732 1290033867 /nfs/dbraw/zinc/03/38/67/1290033867.db2.gz CWFMFSGSKZARLQ-IXDOHACOSA-N 2 0 368.522 0.279 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001702354920 1290118151 /nfs/dbraw/zinc/11/81/51/1290118151.db2.gz DIMFONVEGOVDFL-CVEARBPZSA-N 2 0 368.522 0.281 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001739577768 1290185094 /nfs/dbraw/zinc/18/50/94/1290185094.db2.gz AWTTXTUFGFXYOJ-HZPDHXFCSA-N 2 0 366.506 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OC ZINC001739584228 1290196860 /nfs/dbraw/zinc/19/68/60/1290196860.db2.gz IFEADTOPQIYQCA-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+]1CCC(CCO)(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC001624474621 1290275253 /nfs/dbraw/zinc/27/52/53/1290275253.db2.gz RRIUASNATIDJAT-UHFFFAOYSA-N 2 0 353.507 0.985 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001741847667 1290561351 /nfs/dbraw/zinc/56/13/51/1290561351.db2.gz PQMHYDLUSAKHHZ-LSDHHAIUSA-N 2 0 363.510 0.710 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001745980725 1290585893 /nfs/dbraw/zinc/58/58/93/1290585893.db2.gz MLEIHYRCQMYZSW-RHSMWYFYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)C2CC2)CC[N@@H+]1C ZINC001754441771 1290627640 /nfs/dbraw/zinc/62/76/40/1290627640.db2.gz QYUOLDMZRQTAFJ-FVQBIDKESA-N 2 0 371.547 0.636 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001756770266 1290663671 /nfs/dbraw/zinc/66/36/71/1290663671.db2.gz DNRSGNVCKSAWLG-NVXWUHKLSA-N 2 0 366.506 0.180 20 0 FCADRP C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525483 1290673765 /nfs/dbraw/zinc/67/37/65/1290673765.db2.gz QMMTZGXNHZYSKN-BRSBDYLESA-N 2 0 353.507 0.716 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001757120378 1290718347 /nfs/dbraw/zinc/71/83/47/1290718347.db2.gz WBRPXDILBPYXKL-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC001643457929 1290893714 /nfs/dbraw/zinc/89/37/14/1290893714.db2.gz BITYQMSHMVWDPJ-KRWDZBQOSA-N 2 0 352.523 0.772 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001652554702 1291284798 /nfs/dbraw/zinc/28/47/98/1291284798.db2.gz HSDTVKSJYPCXIF-INIZCTEOSA-N 2 0 371.522 0.717 20 0 FCADRP C[C@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001653481982 1291347569 /nfs/dbraw/zinc/34/75/69/1291347569.db2.gz BUMJWSOLABFZBN-LPHOPBHVSA-N 2 0 363.502 0.688 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC001658106240 1291618882 /nfs/dbraw/zinc/61/88/82/1291618882.db2.gz PMEUCMUITPEYRK-MRXNPFEDSA-N 2 0 358.527 0.831 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001668400240 1291962929 /nfs/dbraw/zinc/96/29/29/1291962929.db2.gz LWBGGILBDLBWSV-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP Cn1ccnc1[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001673552129 1292114401 /nfs/dbraw/zinc/11/44/01/1292114401.db2.gz LIGBVEJBDGANSJ-HZPDHXFCSA-N 2 0 366.510 0.775 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001688986180 1294560606 /nfs/dbraw/zinc/56/06/06/1294560606.db2.gz DSOOYHJXGJILDU-USXIJHARSA-N 2 0 368.522 0.496 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001688992457 1294562625 /nfs/dbraw/zinc/56/26/25/1294562625.db2.gz WYIHCSWYSIVMFX-LSDHHAIUSA-N 2 0 370.457 0.844 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001689019128 1294569606 /nfs/dbraw/zinc/56/96/06/1294569606.db2.gz HTEWSOFONSNDAT-IXDOHACOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001689036346 1294581381 /nfs/dbraw/zinc/58/13/81/1294581381.db2.gz VGWKPJOPOPRGGV-RYQLBKOJSA-N 2 0 363.506 0.561 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001689067192 1294591214 /nfs/dbraw/zinc/59/12/14/1294591214.db2.gz SPENVTXUHDMECP-KZNAEPCWSA-N 2 0 363.506 0.821 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O)[NH+](CC)CC ZINC001689100248 1294618211 /nfs/dbraw/zinc/61/82/11/1294618211.db2.gz UBELAJJMOBXOBN-ILXRZTDVSA-N 2 0 369.510 0.518 20 0 FCADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+]Cc1nnnn1C ZINC001689130909 1294621103 /nfs/dbraw/zinc/62/11/03/1294621103.db2.gz GZGZJQRESPMGNB-HUUCEWRRSA-N 2 0 351.499 0.659 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001689234522 1294695994 /nfs/dbraw/zinc/69/59/94/1294695994.db2.gz CHJFCRMEPHSNHH-BBWFWOEESA-N 2 0 350.507 0.587 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001689239044 1294700535 /nfs/dbraw/zinc/70/05/35/1294700535.db2.gz WTZDZLNUODYXDA-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001690405105 1294867592 /nfs/dbraw/zinc/86/75/92/1294867592.db2.gz BZLQOJCMZRPPTL-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001691841986 1294937819 /nfs/dbraw/zinc/93/78/19/1294937819.db2.gz LTUSVGXPVGIVNF-ZWKOTPCHSA-N 2 0 356.474 0.814 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cncn1C)C(=O)NC1CC1 ZINC001691850712 1294941974 /nfs/dbraw/zinc/94/19/74/1294941974.db2.gz CMTFPDSIVHEISH-CPUCHLNUSA-N 2 0 361.490 0.846 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001165009843 721733071 /nfs/dbraw/zinc/73/30/71/721733071.db2.gz ZPMDGWKCDIDXJO-UHFFFAOYSA-N 2 0 358.490 0.645 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924371 721870841 /nfs/dbraw/zinc/87/08/41/721870841.db2.gz LEBYKYVEHOBFBZ-MSOLQXFVSA-N 2 0 372.517 0.342 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924373 721870967 /nfs/dbraw/zinc/87/09/67/721870967.db2.gz LEBYKYVEHOBFBZ-ROUUACIJSA-N 2 0 372.517 0.342 20 0 FCADRP C[NH+](C)CC1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001165041870 721942057 /nfs/dbraw/zinc/94/20/57/721942057.db2.gz HGMYDJKOHYZKET-UHFFFAOYSA-N 2 0 367.519 0.346 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCCC1 ZINC001070194669 837632484 /nfs/dbraw/zinc/63/24/84/837632484.db2.gz HSPZUYFYYKDHQQ-CABCVRRESA-N 2 0 352.458 0.854 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070223898 837636007 /nfs/dbraw/zinc/63/60/07/837636007.db2.gz CHRPJAJAPICXEB-OAGGEKHMSA-N 2 0 352.458 0.710 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070242662 837637361 /nfs/dbraw/zinc/63/73/61/837637361.db2.gz LHJWYZACXRITTK-PMPSAXMXSA-N 2 0 350.442 0.464 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001070378223 837650776 /nfs/dbraw/zinc/65/07/76/837650776.db2.gz GFPYKUZUVGUFGP-GMBSWORKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074659023 837820404 /nfs/dbraw/zinc/82/04/04/837820404.db2.gz UHSURHKRIIDRDA-LUKYLMHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001074659028 837821379 /nfs/dbraw/zinc/82/13/79/837821379.db2.gz UNHXJTCSSCIZMA-BARDWOONSA-N 2 0 350.463 0.055 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171985 844088296 /nfs/dbraw/zinc/08/82/96/844088296.db2.gz RIHQFVAKXUZWBD-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101278979 844131195 /nfs/dbraw/zinc/13/11/95/844131195.db2.gz BVBYVGZFQHWDIN-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001101351252 844155115 /nfs/dbraw/zinc/15/51/15/844155115.db2.gz ZXZIVIJCUYLHTB-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345012 844153967 /nfs/dbraw/zinc/15/39/67/844153967.db2.gz PFAPOKYGQSVMLN-APWZRJJASA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@]2(C)C1 ZINC001101352692 844155998 /nfs/dbraw/zinc/15/59/98/844155998.db2.gz JSIQZAVAPKWRFK-AOIWGVFYSA-N 2 0 353.507 0.914 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363492 844160252 /nfs/dbraw/zinc/16/02/52/844160252.db2.gz WEGYHNJNPZVEJE-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101402326 844174923 /nfs/dbraw/zinc/17/49/23/844174923.db2.gz CVNFZPGQQJOYNO-MJGOQNOKSA-N 2 0 353.507 0.508 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCOCC3CC3)C[C@@]2(C)C1 ZINC001101432400 844184322 /nfs/dbraw/zinc/18/43/22/844184322.db2.gz QCTUHSQSTKUZBL-MJGOQNOKSA-N 2 0 353.507 0.772 20 0 FCADRP Cc1oncc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432193 844184495 /nfs/dbraw/zinc/18/44/95/844184495.db2.gz GPTRNAJISARWFO-AEFFLSMTSA-N 2 0 350.463 0.842 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3([NH+](C)C)CCC3)CCC2)CC[N@@H+]1C ZINC001063362512 836764730 /nfs/dbraw/zinc/76/47/30/836764730.db2.gz UYFMYWVOEZJDGK-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101477495 844202507 /nfs/dbraw/zinc/20/25/07/844202507.db2.gz XLOZPHJNPRKFHQ-APWZRJJASA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001076987089 838196350 /nfs/dbraw/zinc/19/63/50/838196350.db2.gz BXWSHCBMRCHNML-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219081 838822930 /nfs/dbraw/zinc/82/29/30/838822930.db2.gz JBJXEDPCUHXOIW-BRWVUGGUSA-N 2 0 351.491 0.593 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051604 844395913 /nfs/dbraw/zinc/39/59/13/844395913.db2.gz AEBIDFVJKLJJKQ-HUUCEWRRSA-N 2 0 351.495 0.180 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@H]2O)C1 ZINC001077685641 839114807 /nfs/dbraw/zinc/11/48/07/839114807.db2.gz XRUAKSRHUHXNDQ-GVDBMIGSSA-N 2 0 353.507 0.696 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077779405 839153251 /nfs/dbraw/zinc/15/32/51/839153251.db2.gz LPYLMYXNHNZUSF-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077927705 839234287 /nfs/dbraw/zinc/23/42/87/839234287.db2.gz AXBFBQBGWKHMPP-CGTJXYLNSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102112741 844420662 /nfs/dbraw/zinc/42/06/62/844420662.db2.gz FCZDJRPUDPJHGB-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC001078403697 839456833 /nfs/dbraw/zinc/45/68/33/839456833.db2.gz GHRSRGJYGJMMCQ-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079258192 839501424 /nfs/dbraw/zinc/50/14/24/839501424.db2.gz RDGHJONESUPYBR-DLBZAZTESA-N 2 0 351.491 0.260 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079806771 839598022 /nfs/dbraw/zinc/59/80/22/839598022.db2.gz WVCSVJGZDOFWQH-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079946843 839628565 /nfs/dbraw/zinc/62/85/65/839628565.db2.gz CZIJVERAXSORTE-KBRIMQKVSA-N 2 0 350.507 0.726 20 0 FCADRP CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080189540 839679395 /nfs/dbraw/zinc/67/93/95/839679395.db2.gz YVLWGBSKCQSBJU-DJIMGWMZSA-N 2 0 352.523 0.972 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383836 839714315 /nfs/dbraw/zinc/71/43/15/839714315.db2.gz ZPOTXMJRIZMWLG-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558828 839746056 /nfs/dbraw/zinc/74/60/56/839746056.db2.gz GRFCUXJXIWOYLJ-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558751 839746867 /nfs/dbraw/zinc/74/68/67/839746867.db2.gz BQFTVWQWSCXEHJ-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C(=O)C[NH+]1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080558340 839747408 /nfs/dbraw/zinc/74/74/08/839747408.db2.gz RCLGPSDZJQVXJV-BFYDXBDKSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368233 844476197 /nfs/dbraw/zinc/47/61/97/844476197.db2.gz LZXRXPWMZJXHJU-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369753 844478283 /nfs/dbraw/zinc/47/82/83/844478283.db2.gz GDEHYSJDMGRGDQ-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370128 844478328 /nfs/dbraw/zinc/47/83/28/844478328.db2.gz RQYOAZGFFGBHQR-ZMSDIMECSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430424 844497178 /nfs/dbraw/zinc/49/71/78/844497178.db2.gz PWTDXIKDNRMQCJ-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095681 840183482 /nfs/dbraw/zinc/18/34/82/840183482.db2.gz CUBMMIJRSMHILG-GVDBMIGSSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368796 840356719 /nfs/dbraw/zinc/35/67/19/840356719.db2.gz NHGLZHQNUKZQKI-RRFJBIMHSA-N 2 0 352.504 0.761 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082544928 840457417 /nfs/dbraw/zinc/45/74/17/840457417.db2.gz YEBBOGCAFAYEES-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082558892 840465526 /nfs/dbraw/zinc/46/55/26/840465526.db2.gz KTMZEUZRMRMYCS-QGPMSJSTSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082570425 840470251 /nfs/dbraw/zinc/47/02/51/840470251.db2.gz LGBARWQHZFMQMP-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082575016 840473163 /nfs/dbraw/zinc/47/31/63/840473163.db2.gz GIGQQSBTRAAQBE-XYPHTWIQSA-N 2 0 350.511 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513619 844544682 /nfs/dbraw/zinc/54/46/82/844544682.db2.gz UBFGFVVJBIQGPT-HZPDHXFCSA-N 2 0 351.495 0.225 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccs1 ZINC001082653417 840513078 /nfs/dbraw/zinc/51/30/78/840513078.db2.gz JXJNMDSQGJUFKQ-ILLDSPSKSA-N 2 0 362.499 0.943 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[NH+](C)C ZINC001082747529 840545644 /nfs/dbraw/zinc/54/56/44/840545644.db2.gz YJXMQZPATOIHEA-BMFZPTHFSA-N 2 0 359.536 0.588 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525669 844552806 /nfs/dbraw/zinc/55/28/06/844552806.db2.gz OMQJKOAQHLGLAY-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082921961 840603347 /nfs/dbraw/zinc/60/33/47/840603347.db2.gz ZJSNGWXAKQIIFC-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]21 ZINC001083024702 840661393 /nfs/dbraw/zinc/66/13/93/840661393.db2.gz WWSKRDJJRGMKNW-FGTMMUONSA-N 2 0 351.491 0.809 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](C[C@H]4CCOC4)C[C@@H]32)C1 ZINC001083193358 840788123 /nfs/dbraw/zinc/78/81/23/840788123.db2.gz NUDKERWWDOSOPC-IXDOHACOSA-N 2 0 351.491 0.666 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102580477 844575111 /nfs/dbraw/zinc/57/51/11/844575111.db2.gz YIMIQYQIBWRYCO-GDBMZVCRSA-N 2 0 366.531 0.998 20 0 FCADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083244892 840828826 /nfs/dbraw/zinc/82/88/26/840828826.db2.gz OVMASLHARCXQIA-ZWKOTPCHSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596426 844587636 /nfs/dbraw/zinc/58/76/36/844587636.db2.gz FJJWGJOVNNARHH-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600061 844591016 /nfs/dbraw/zinc/59/10/16/844591016.db2.gz JYQHHESXAGLMNJ-JFIYKMOQSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472566 841046460 /nfs/dbraw/zinc/04/64/60/841046460.db2.gz FEFJNRWZJBDALK-DDBAPUKQSA-N 2 0 353.507 0.695 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083505921 841092991 /nfs/dbraw/zinc/09/29/91/841092991.db2.gz IRSFNEDRUVAGST-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654828 841281408 /nfs/dbraw/zinc/28/14/08/841281408.db2.gz IOWCNNMLFGTGBR-XFHVWQCUSA-N 2 0 351.491 0.447 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959318 841604552 /nfs/dbraw/zinc/60/45/52/841604552.db2.gz QZUIJHGCBACOQO-KGLIPLIRSA-N 2 0 350.488 0.251 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001275834189 861219527 /nfs/dbraw/zinc/21/95/27/861219527.db2.gz ZOMLHWSBXOEVIE-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084668264 841877683 /nfs/dbraw/zinc/87/76/83/841877683.db2.gz OOPNATXOGBQLJT-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001275892509 861250269 /nfs/dbraw/zinc/25/02/69/861250269.db2.gz DDNLODLYJLOSKZ-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085245934 842055224 /nfs/dbraw/zinc/05/52/24/842055224.db2.gz UXSQYACYRJHHRW-OAGGEKHMSA-N 2 0 351.495 0.513 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001085319784 842076770 /nfs/dbraw/zinc/07/67/70/842076770.db2.gz OQZQZJFZGRFTMW-USXIJHARSA-N 2 0 371.547 0.780 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001085374558 842090030 /nfs/dbraw/zinc/09/00/30/842090030.db2.gz WZGNXFAUKQRMSM-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085423495 842099511 /nfs/dbraw/zinc/09/95/11/842099511.db2.gz SRWAXESOFVEBFM-BZUAXINKSA-N 2 0 357.520 0.534 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001086784952 842173304 /nfs/dbraw/zinc/17/33/04/842173304.db2.gz CRBUJFJUYJXCMO-LZWOXQAQSA-N 2 0 351.451 0.553 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087059120 842253525 /nfs/dbraw/zinc/25/35/25/842253525.db2.gz RSOUVISKMIFYNU-UKRRQHHQSA-N 2 0 351.451 0.507 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059029 842254080 /nfs/dbraw/zinc/25/40/80/842254080.db2.gz MZQKPNAYLYPOQP-GVDBMIGSSA-N 2 0 353.507 0.960 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087101070 842289487 /nfs/dbraw/zinc/28/94/87/842289487.db2.gz RQPRVNZTCKGRKZ-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087101209 842291180 /nfs/dbraw/zinc/29/11/80/842291180.db2.gz YNFMDMVTRKJSBI-UMVBOHGHSA-N 2 0 353.492 0.443 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087101208 842291877 /nfs/dbraw/zinc/29/18/77/842291877.db2.gz YNFMDMVTRKJSBI-GZBFAFLISA-N 2 0 353.492 0.443 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964041 842480899 /nfs/dbraw/zinc/48/08/99/842480899.db2.gz TYCPVCGFLHPNBP-IXDOHACOSA-N 2 0 350.507 0.728 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001088166951 842548721 /nfs/dbraw/zinc/54/87/21/842548721.db2.gz ZSNKJVASPQDXNV-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212642 842563738 /nfs/dbraw/zinc/56/37/38/842563738.db2.gz FKZGPPKNZPNOGF-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091673112 843068933 /nfs/dbraw/zinc/06/89/33/843068933.db2.gz ZLQDGZGQFNGKFR-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022341 843143062 /nfs/dbraw/zinc/14/30/62/843143062.db2.gz SVXOJLPEFDPZON-ALKREAHSSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604846 843249572 /nfs/dbraw/zinc/24/95/72/843249572.db2.gz PPSRCWGXKSKWKN-INMHGKMJSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721426 843285719 /nfs/dbraw/zinc/28/57/19/843285719.db2.gz MOTKZPFYLLYKPX-OAGGEKHMSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937104 843348519 /nfs/dbraw/zinc/34/85/19/843348519.db2.gz OLYBJQWXPPZAQD-BFYDXBDKSA-N 2 0 371.547 0.447 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097518 843387647 /nfs/dbraw/zinc/38/76/47/843387647.db2.gz GRJONPSTXAWCDY-BFYDXBDKSA-N 2 0 352.523 0.925 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195620 843404992 /nfs/dbraw/zinc/40/49/92/843404992.db2.gz SEDVHSCGWTYUKR-FVQBIDKESA-N 2 0 366.531 0.854 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448542 843433814 /nfs/dbraw/zinc/43/38/14/843433814.db2.gz APTYFTYUJSDOIO-KONPQCLYSA-N 2 0 353.507 0.429 20 0 FCADRP CC(C)[C@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093474681 843441277 /nfs/dbraw/zinc/44/12/77/843441277.db2.gz UBYCFNCBPNKMHN-YKTARERQSA-N 2 0 351.491 0.041 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094043889 843507746 /nfs/dbraw/zinc/50/77/46/843507746.db2.gz BHTTVQVTTZHPBJ-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001094221239 843532061 /nfs/dbraw/zinc/53/20/61/843532061.db2.gz ZNLCTLNHHZZEPF-IXDOHACOSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094219869 843532996 /nfs/dbraw/zinc/53/29/96/843532996.db2.gz VAUXAQYYCJGKNC-HZSPNIEDSA-N 2 0 350.467 0.271 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412997 843549304 /nfs/dbraw/zinc/54/93/04/843549304.db2.gz RRSCNWSCAVLFLM-GPMSIDNRSA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740276 843697215 /nfs/dbraw/zinc/69/72/15/843697215.db2.gz NEFBBYPWTNAABC-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740274 843697237 /nfs/dbraw/zinc/69/72/37/843697237.db2.gz NEFBBYPWTNAABC-BHYGNILZSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215786 843854488 /nfs/dbraw/zinc/85/44/88/843854488.db2.gz DTCMBLISESLOCF-BDXSIMOUSA-N 2 0 351.491 0.998 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099263780 843995636 /nfs/dbraw/zinc/99/56/36/843995636.db2.gz YDWFEXGTWLEAQR-GRYCIOLGSA-N 2 0 364.412 0.714 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102783045 844647643 /nfs/dbraw/zinc/64/76/43/844647643.db2.gz SRCZOERVMTWDFN-OAGGEKHMSA-N 2 0 351.495 0.180 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049887 844690475 /nfs/dbraw/zinc/69/04/75/844690475.db2.gz JIUWFNPBALVGLX-OAGGEKHMSA-N 2 0 358.502 0.829 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049886 844690646 /nfs/dbraw/zinc/69/06/46/844690646.db2.gz JIUWFNPBALVGLX-BZUAXINKSA-N 2 0 358.502 0.829 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083848 844697899 /nfs/dbraw/zinc/69/78/99/844697899.db2.gz LTALXOBTURMFER-ZACQAIPSSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090543 844699405 /nfs/dbraw/zinc/69/94/05/844699405.db2.gz XUEFPXTWXZJZNQ-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249859 844727105 /nfs/dbraw/zinc/72/71/05/844727105.db2.gz VAJJXUQULCYACI-LDBBTLTOSA-N 2 0 351.491 0.306 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438438 844759183 /nfs/dbraw/zinc/75/91/83/844759183.db2.gz IYRPDYGSXSOFGZ-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103444650 844760990 /nfs/dbraw/zinc/76/09/90/844760990.db2.gz COFOJUGQOLFBKD-MCIONIFRSA-N 2 0 352.483 0.023 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103550546 844778010 /nfs/dbraw/zinc/77/80/10/844778010.db2.gz WBPQUSXTZYQZBY-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570952 844782691 /nfs/dbraw/zinc/78/26/91/844782691.db2.gz NFGTUZJLRMQETL-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642282 844793205 /nfs/dbraw/zinc/79/32/05/844793205.db2.gz YADSDFCJRDAZSW-HZPDHXFCSA-N 2 0 356.511 0.163 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644587 844793995 /nfs/dbraw/zinc/79/39/95/844793995.db2.gz HBTXQYDBQDTNAH-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103644920 844794951 /nfs/dbraw/zinc/79/49/51/844794951.db2.gz YAMXULZFRKQRNX-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719194 844806752 /nfs/dbraw/zinc/80/67/52/844806752.db2.gz UNFMMQDARIDYOE-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718768 844807193 /nfs/dbraw/zinc/80/71/93/844807193.db2.gz DRQVBAKBIRGKJD-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723514 844808300 /nfs/dbraw/zinc/80/83/00/844808300.db2.gz NQHAYARQYJZOEK-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP CC[C@H](C)N1C[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630415 861506209 /nfs/dbraw/zinc/50/62/09/861506209.db2.gz TYPCVGFWDWPXLT-PKOBYXMFSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001104211218 844877708 /nfs/dbraw/zinc/87/77/08/844877708.db2.gz YHAIPGPRQIOJOT-KCYZZUKISA-N 2 0 350.507 0.679 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104265053 844886738 /nfs/dbraw/zinc/88/67/38/844886738.db2.gz QYTQQVPNOFHMOV-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286423 844890674 /nfs/dbraw/zinc/89/06/74/844890674.db2.gz CGSPXYZXNFLAFC-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104294389 844891324 /nfs/dbraw/zinc/89/13/24/844891324.db2.gz NEKGAVTUVIWUIT-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104354185 844896912 /nfs/dbraw/zinc/89/69/12/844896912.db2.gz VJCOVDQJKLOSKP-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104595814 844924106 /nfs/dbraw/zinc/92/41/06/844924106.db2.gz ZYUHJRAQMJAHSI-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001104680099 844932429 /nfs/dbraw/zinc/93/24/29/844932429.db2.gz PHPVAULGWKVVFX-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104676828 844932577 /nfs/dbraw/zinc/93/25/77/844932577.db2.gz ZNRXMQVEWJNTNB-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104809986 844946647 /nfs/dbraw/zinc/94/66/47/844946647.db2.gz UPOZQMDHJBRZKL-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908469 844958645 /nfs/dbraw/zinc/95/86/45/844958645.db2.gz XZCHCXYXSGKKGH-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104938340 844961730 /nfs/dbraw/zinc/96/17/30/844961730.db2.gz UQURKDACHOLCOF-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001105014153 844968714 /nfs/dbraw/zinc/96/87/14/844968714.db2.gz FGJKLLJPRXKRDW-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001105668035 845015011 /nfs/dbraw/zinc/01/50/11/845015011.db2.gz VZEGAWFPUMUKIL-LMSBXDPUSA-N 2 0 359.486 0.500 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105669054 845015799 /nfs/dbraw/zinc/01/57/99/845015799.db2.gz PBTJNKCYGGAGRU-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105669044 845016138 /nfs/dbraw/zinc/01/61/38/845016138.db2.gz OXJNYOAQWJIYFZ-FPAYPSAMSA-N 2 0 355.523 0.677 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676299 845018103 /nfs/dbraw/zinc/01/81/03/845018103.db2.gz VLVZYCJZNVJIDF-RWQQGDIJSA-N 2 0 355.523 0.675 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001105945352 845064550 /nfs/dbraw/zinc/06/45/50/845064550.db2.gz UKQTYTNGDKWPCI-UPJWGTAASA-N 2 0 364.412 0.443 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106198577 845129729 /nfs/dbraw/zinc/12/97/29/845129729.db2.gz FZCMTWGMTKHQHT-FMKPAKJESA-N 2 0 354.474 0.679 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1 ZINC001106199013 845130644 /nfs/dbraw/zinc/13/06/44/845130644.db2.gz WNERVUIOUCXLFG-KFWWJZLASA-N 2 0 354.474 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106249497 845143407 /nfs/dbraw/zinc/14/34/07/845143407.db2.gz JICPRJSUECWFAI-FVQBIDKESA-N 2 0 351.495 0.036 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106339673 845158996 /nfs/dbraw/zinc/15/89/96/845158996.db2.gz YIEPQCCOQDEBOB-CHWSQXEVSA-N 2 0 352.483 0.023 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597959 845202415 /nfs/dbraw/zinc/20/24/15/845202415.db2.gz REMUTHNRBNMCCN-HUUCEWRRSA-N 2 0 351.499 0.780 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600466 845203067 /nfs/dbraw/zinc/20/30/67/845203067.db2.gz ZVSROBZOTRXKGD-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621436 845207313 /nfs/dbraw/zinc/20/73/13/845207313.db2.gz KWBXPCGGSTYINC-NVXWUHKLSA-N 2 0 352.523 0.785 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621413 845207436 /nfs/dbraw/zinc/20/74/36/845207436.db2.gz JPXWAQPXGKEJTM-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)[NH+](CC)CC ZINC001106660200 845216696 /nfs/dbraw/zinc/21/66/96/845216696.db2.gz FOQLBNGQIIJHGV-OAGGEKHMSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)N(C)C ZINC001106668479 845219976 /nfs/dbraw/zinc/21/99/76/845219976.db2.gz MIEDRTCJGVEPHL-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106672186 845221326 /nfs/dbraw/zinc/22/13/26/845221326.db2.gz IVIPHEIMVYYAEU-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001106673325 845222234 /nfs/dbraw/zinc/22/22/34/845222234.db2.gz VOIHIBJJRBGSAN-HUUCEWRRSA-N 2 0 350.511 0.977 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106729187 845235601 /nfs/dbraw/zinc/23/56/01/845235601.db2.gz LTLWCYOBHWIDIE-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106779604 845250501 /nfs/dbraw/zinc/25/05/01/845250501.db2.gz SHZQTGINUGTHAR-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106784084 845251886 /nfs/dbraw/zinc/25/18/86/845251886.db2.gz AZPIXGOXHQEDEF-ZIAGYGMSSA-N 2 0 351.451 0.639 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106798606 845255446 /nfs/dbraw/zinc/25/54/46/845255446.db2.gz MOXZSIUAXANCGF-IXDOHACOSA-N 2 0 352.523 0.879 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)s1 ZINC001106880856 845277158 /nfs/dbraw/zinc/27/71/58/845277158.db2.gz PCJPQFXNQZSGPI-ZIAGYGMSSA-N 2 0 369.535 0.863 20 0 FCADRP Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106880444 845277470 /nfs/dbraw/zinc/27/74/70/845277470.db2.gz JMTBPXVAYCRZBS-VNHYZAJKSA-N 2 0 353.467 0.701 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878409 845277493 /nfs/dbraw/zinc/27/74/93/845277493.db2.gz PNFSRIPLTICXIR-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106880616 845277714 /nfs/dbraw/zinc/27/77/14/845277714.db2.gz LYUBVFAOOYDTLL-UMVBOHGHSA-N 2 0 352.483 0.436 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884505 845278855 /nfs/dbraw/zinc/27/88/55/845278855.db2.gz IJLRWLOHCBGWOO-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CCCC[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106881565 845278926 /nfs/dbraw/zinc/27/89/26/845278926.db2.gz FSKDJFGQWBQDCI-BZUAXINKSA-N 2 0 356.511 0.293 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106982563 845300368 /nfs/dbraw/zinc/30/03/68/845300368.db2.gz MSZJWXJAWGBZKP-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984463 845301431 /nfs/dbraw/zinc/30/14/31/845301431.db2.gz OZVCBDBFNYUKRW-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001107038957 845317014 /nfs/dbraw/zinc/31/70/14/845317014.db2.gz IRQXKIIZLNPWRJ-HUUCEWRRSA-N 2 0 354.474 0.772 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328958 845353869 /nfs/dbraw/zinc/35/38/69/845353869.db2.gz CNXNCINMIVEEEK-GPMSIDNRSA-N 2 0 350.507 0.966 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438703 845373143 /nfs/dbraw/zinc/37/31/43/845373143.db2.gz HJPGHHSFZVLELX-HHXXYDBFSA-N 2 0 350.507 0.824 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12)C1CC1 ZINC001107530702 845392199 /nfs/dbraw/zinc/39/21/99/845392199.db2.gz HKKSRCKFOWCSEV-VQIMIIECSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001107546448 845396029 /nfs/dbraw/zinc/39/60/29/845396029.db2.gz CREIIFUBHXUFFC-FRQCXROJSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107546676 845396301 /nfs/dbraw/zinc/39/63/01/845396301.db2.gz LHRNIBIDCXTJEO-YQVWRLOYSA-N 2 0 353.507 0.698 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550079 845396531 /nfs/dbraw/zinc/39/65/31/845396531.db2.gz MGLKQNKOYPCXPA-DNVCBOLYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593450 845404244 /nfs/dbraw/zinc/40/42/44/845404244.db2.gz MTVRUKSDOAQTRM-KVSKMBFKSA-N 2 0 353.507 0.839 20 0 FCADRP CCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546209 845502408 /nfs/dbraw/zinc/50/24/08/845502408.db2.gz QRNZXHNCIZXWBB-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442871 845654232 /nfs/dbraw/zinc/65/42/32/845654232.db2.gz KKTMXAYODPXONG-NCOADZHNSA-N 2 0 351.491 0.591 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001109932928 845763302 /nfs/dbraw/zinc/76/33/02/845763302.db2.gz ZJZRJLSGHGEBTP-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001110017562 845776629 /nfs/dbraw/zinc/77/66/29/845776629.db2.gz CBTXVHIUVNHKPD-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110188513 845816713 /nfs/dbraw/zinc/81/67/13/845816713.db2.gz DPMAUFPIKLCUOE-SQNIBIBYSA-N 2 0 353.507 0.983 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](C[C@@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798132 861613030 /nfs/dbraw/zinc/61/30/30/861613030.db2.gz AYKDBNXPTOTROQ-CRAIPNDOSA-N 2 0 357.495 0.027 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001111097268 846032880 /nfs/dbraw/zinc/03/28/80/846032880.db2.gz QMVUFDOVQHDFAI-MLHJIOFPSA-N 2 0 353.507 0.981 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276827553 861639274 /nfs/dbraw/zinc/63/92/74/861639274.db2.gz MBFVIAVMYYTTBJ-YJBOKZPZSA-N 2 0 355.479 0.319 20 0 FCADRP CC(C)[N@@H+]1CCC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276848393 861652333 /nfs/dbraw/zinc/65/23/33/861652333.db2.gz BHQLNSXWCURWFA-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111860149 846233494 /nfs/dbraw/zinc/23/34/94/846233494.db2.gz SCHKHVTZLLVLLA-LPHOPBHVSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111871009 846239740 /nfs/dbraw/zinc/23/97/40/846239740.db2.gz WLJYKZXUDNNTCN-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2)[NH+](C)C ZINC001111874940 846241546 /nfs/dbraw/zinc/24/15/46/846241546.db2.gz HYXLVPOHTSUGNF-QOKNQOGYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001111907713 846256365 /nfs/dbraw/zinc/25/63/65/846256365.db2.gz IPJYGYKWNSYPIN-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111909562 846257735 /nfs/dbraw/zinc/25/77/35/846257735.db2.gz CYBKRZZPVQMLAU-YJBOKZPZSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC001111938377 846270461 /nfs/dbraw/zinc/27/04/61/846270461.db2.gz YLQFKPYOMPXZDK-LNLFQRSKSA-N 2 0 353.507 0.962 20 0 FCADRP CCOCC[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276874263 861663247 /nfs/dbraw/zinc/66/32/47/861663247.db2.gz GKJXSXLMEORWFB-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112071105 846348819 /nfs/dbraw/zinc/34/88/19/846348819.db2.gz QUAQMVRMNZWRIX-JHJVBQTASA-N 2 0 353.385 0.068 20 0 FCADRP CCCC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112159104 846425248 /nfs/dbraw/zinc/42/52/48/846425248.db2.gz QCMSEMCANFUOAF-FRRDWIJNSA-N 2 0 366.428 0.961 20 0 FCADRP CN1CCC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112159798 846425438 /nfs/dbraw/zinc/42/54/38/846425438.db2.gz AMKPWVDSFMWZFT-FRRDWIJNSA-N 2 0 364.412 0.538 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159889 846425996 /nfs/dbraw/zinc/42/59/96/846425996.db2.gz GGKFOCQYVMJQKJ-REWJHTLYSA-N 2 0 369.428 0.559 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001112167541 846430896 /nfs/dbraw/zinc/43/08/96/846430896.db2.gz QKWDNPIKBASLFY-UPJWGTAASA-N 2 0 355.401 0.314 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001112167860 846431855 /nfs/dbraw/zinc/43/18/55/846431855.db2.gz JLVOLAQZINTFNR-BFHYXJOUSA-N 2 0 367.412 0.459 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112182213 846443303 /nfs/dbraw/zinc/44/33/03/846443303.db2.gz UZDKKPVPLJAZPJ-CHWSQXEVSA-N 2 0 355.401 0.316 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112190207 846449182 /nfs/dbraw/zinc/44/91/82/846449182.db2.gz PXMQTHXPYMHXCT-GRYCIOLGSA-N 2 0 352.401 0.571 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193989 846452742 /nfs/dbraw/zinc/45/27/42/846452742.db2.gz GTSMAFZMRPIJEH-JHJVBQTASA-N 2 0 355.401 0.578 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)OC ZINC001112194317 846454423 /nfs/dbraw/zinc/45/44/23/846454423.db2.gz YMHRPUJOHSQTRH-BFHYXJOUSA-N 2 0 369.428 0.969 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001112197343 846455207 /nfs/dbraw/zinc/45/52/07/846455207.db2.gz MENYUBBXMCDSAB-JHJVBQTASA-N 2 0 366.428 0.961 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112198290 846456157 /nfs/dbraw/zinc/45/61/57/846456157.db2.gz NBZKUDWEQJGOJZ-YNEHKIRRSA-N 2 0 355.401 0.314 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112284883 846487904 /nfs/dbraw/zinc/48/79/04/846487904.db2.gz CMRYCWQTOKFSQN-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413235 846501958 /nfs/dbraw/zinc/50/19/58/846501958.db2.gz DQMJCZYVXDNLHX-IEZWGBDMSA-N 2 0 352.523 0.927 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518673 846512040 /nfs/dbraw/zinc/51/20/40/846512040.db2.gz WGJXJECPOQILTK-KXBFYZLASA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001112522116 846513162 /nfs/dbraw/zinc/51/31/62/846513162.db2.gz GHDLSKCZEGNGTF-WMZOPIPTSA-N 2 0 371.547 0.591 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522389 846514427 /nfs/dbraw/zinc/51/44/27/846514427.db2.gz VOWGVGQEJAPMDA-LPHOPBHVSA-N 2 0 350.507 0.635 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529562 846516029 /nfs/dbraw/zinc/51/60/29/846516029.db2.gz GASGRCIASIEUJP-GJYPPUQNSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112540238 846518731 /nfs/dbraw/zinc/51/87/31/846518731.db2.gz MRDJPOIMQYGRAB-FCEWJHQRSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)CC1 ZINC001112555489 846522754 /nfs/dbraw/zinc/52/27/54/846522754.db2.gz VMYMOVFBNBKENB-LPHOPBHVSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncs2)C1 ZINC001112563808 846525208 /nfs/dbraw/zinc/52/52/08/846525208.db2.gz OVONUFBKNBORIG-YOEHRIQHSA-N 2 0 367.519 0.835 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566146 846525321 /nfs/dbraw/zinc/52/53/21/846525321.db2.gz MRUCEXRUKGFFJC-LNLFQRSKSA-N 2 0 355.523 0.944 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112563375 846525416 /nfs/dbraw/zinc/52/54/16/846525416.db2.gz SKAQWYNKIIZIDD-LNLFQRSKSA-N 2 0 353.507 0.555 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304537 846549454 /nfs/dbraw/zinc/54/94/54/846549454.db2.gz SSNQKFLCIHUYFY-SUJAAXHWSA-N 2 0 351.495 0.081 20 0 FCADRP C[C@H](CO)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276973553 861718386 /nfs/dbraw/zinc/71/83/86/861718386.db2.gz DWZHSGVAISMMTK-PKOBYXMFSA-N 2 0 352.523 0.177 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001117091178 846883954 /nfs/dbraw/zinc/88/39/54/846883954.db2.gz AJVVTWHMDUYJRK-GDBMZVCRSA-N 2 0 354.495 0.012 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001117091181 846884065 /nfs/dbraw/zinc/88/40/65/846884065.db2.gz AJVVTWHMDUYJRK-ZBFHGGJFSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001118035909 847257443 /nfs/dbraw/zinc/25/74/43/847257443.db2.gz XCKRTFCJTDVEFN-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C[NH+]1CCCC1 ZINC001118328819 847384965 /nfs/dbraw/zinc/38/49/65/847384965.db2.gz NQORIHFKMVZWMV-KXBFYZLASA-N 2 0 350.507 0.812 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118631654 847507063 /nfs/dbraw/zinc/50/70/63/847507063.db2.gz XJSSTEYTYWEAJV-NVXWUHKLSA-N 2 0 353.511 0.175 20 0 FCADRP Cc1cc(F)ncc1CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277261257 861809044 /nfs/dbraw/zinc/80/90/44/861809044.db2.gz GRIMQQOBNWCLJO-SFHVURJKSA-N 2 0 350.438 0.894 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304970 847806993 /nfs/dbraw/zinc/80/69/93/847806993.db2.gz XPKMJTHOWRPLJC-CHWSQXEVSA-N 2 0 364.412 0.669 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)cn2)CC1 ZINC001119301084 847807039 /nfs/dbraw/zinc/80/70/39/847807039.db2.gz OXQDYCLQXLIWQM-UHFFFAOYSA-N 2 0 369.491 0.255 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119403651 847834839 /nfs/dbraw/zinc/83/48/39/847834839.db2.gz MUBCYRJQQWOTLT-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCCC[NH2+]1 ZINC001120543699 848238423 /nfs/dbraw/zinc/23/84/23/848238423.db2.gz GCCOZSQQULVNHP-QWHCGFSZSA-N 2 0 351.417 0.654 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001120642583 848260969 /nfs/dbraw/zinc/26/09/69/848260969.db2.gz SAPLLMOHMWRJKR-SJORKVTESA-N 2 0 353.511 0.163 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001121134220 848321131 /nfs/dbraw/zinc/32/11/31/848321131.db2.gz YRIWPIDDYPUFSZ-KBMGIXFMSA-N 2 0 357.520 0.388 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)n1 ZINC001121142531 848322623 /nfs/dbraw/zinc/32/26/23/848322623.db2.gz DRNNDMMQJOLQKE-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@H]1C ZINC001121362755 848343885 /nfs/dbraw/zinc/34/38/85/848343885.db2.gz QGWDSPBWAOAJMI-HUUCEWRRSA-N 2 0 350.511 0.906 20 0 FCADRP Cc1nc(F)ccc1CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277474894 861893568 /nfs/dbraw/zinc/89/35/68/861893568.db2.gz SDQHHBCNLJAGIQ-SFHVURJKSA-N 2 0 350.438 0.894 20 0 FCADRP CC1(C)CCC[N@H+](CCNC(=O)NCCN2CCC3(C2)OCCO3)C1 ZINC001123708289 848628662 /nfs/dbraw/zinc/62/86/62/848628662.db2.gz RLFZDWXPSAOBEN-UHFFFAOYSA-N 2 0 354.495 0.856 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]C[C@H]2CCCOC2)CC1 ZINC001127570913 848725441 /nfs/dbraw/zinc/72/54/41/848725441.db2.gz FLBZVVDTQQSTHJ-NXHRZFHOSA-N 2 0 353.507 0.866 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)Nc2nccs2)CC[N@@H+]1C ZINC001127695457 848732253 /nfs/dbraw/zinc/73/22/53/848732253.db2.gz MNPDFROCXIBBEL-RWMBFGLXSA-N 2 0 353.492 0.906 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2cccs2)CC[N@@H+]1C ZINC001127701472 848732523 /nfs/dbraw/zinc/73/25/23/848732523.db2.gz PQGMKKCSVFDQPG-LSDHHAIUSA-N 2 0 352.504 0.800 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219247 848819477 /nfs/dbraw/zinc/81/94/77/848819477.db2.gz BLXSNICTKISIDP-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276460 848825080 /nfs/dbraw/zinc/82/50/80/848825080.db2.gz MBJYYSGJWNGSPI-PMPSAXMXSA-N 2 0 352.483 0.386 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129837466 848902104 /nfs/dbraw/zinc/90/21/04/848902104.db2.gz DXYGFOYTIQLWRQ-OAGGEKHMSA-N 2 0 352.458 0.852 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129879047 848906449 /nfs/dbraw/zinc/90/64/49/848906449.db2.gz OWMZRVJYYSDLDT-ZNMIVQPWSA-N 2 0 358.437 0.659 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910426 848914017 /nfs/dbraw/zinc/91/40/17/848914017.db2.gz SLEGARWWMGCPAX-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910503 848914126 /nfs/dbraw/zinc/91/41/26/848914126.db2.gz WDHPSPIZPBYCKH-OAGGEKHMSA-N 2 0 352.483 0.385 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129992155 848927864 /nfs/dbraw/zinc/92/78/64/848927864.db2.gz NPJSMXIHMOEURF-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009627 848930398 /nfs/dbraw/zinc/93/03/98/848930398.db2.gz YHNGLOLISYKAFI-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130011940 848930526 /nfs/dbraw/zinc/93/05/26/848930526.db2.gz GEZBPKSZRFBMNX-QMEZGKNLSA-N 2 0 352.870 0.856 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130014235 848930733 /nfs/dbraw/zinc/93/07/33/848930733.db2.gz FXJWUMBRAYZJLU-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130047890 848936377 /nfs/dbraw/zinc/93/63/77/848936377.db2.gz YHRBLLULONKMFZ-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130123429 848947659 /nfs/dbraw/zinc/94/76/59/848947659.db2.gz QSODMWYXOMEHNE-OAGGEKHMSA-N 2 0 352.458 0.711 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130247010 848986346 /nfs/dbraw/zinc/98/63/46/848986346.db2.gz QMKXHBGXHFJNJC-RDBSUJKOSA-N 2 0 350.467 0.245 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130249294 848988768 /nfs/dbraw/zinc/98/87/68/848988768.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670076 849025538 /nfs/dbraw/zinc/02/55/38/849025538.db2.gz PWLSANBMJSAMQD-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+](CC)CC ZINC001131073954 849077414 /nfs/dbraw/zinc/07/74/14/849077414.db2.gz RAQBJVXOWKIFBK-OAGGEKHMSA-N 2 0 351.495 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCO ZINC001131074147 849077448 /nfs/dbraw/zinc/07/74/48/849077448.db2.gz WNCDYGXCLDONLE-HUUCEWRRSA-N 2 0 351.495 0.274 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCCO ZINC001131110264 849079363 /nfs/dbraw/zinc/07/93/63/849079363.db2.gz JYSOMVSYERFFHG-HZPDHXFCSA-N 2 0 351.495 0.418 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131115773 849080677 /nfs/dbraw/zinc/08/06/77/849080677.db2.gz ZZDZEZLRQDZANO-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130707 849082013 /nfs/dbraw/zinc/08/20/13/849082013.db2.gz ZMFANCLEWVCSMR-HZPDHXFCSA-N 2 0 351.495 0.681 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131562502 849123742 /nfs/dbraw/zinc/12/37/42/849123742.db2.gz VVJONBOLSCEWTF-WDYCEAGBSA-N 2 0 353.507 0.839 20 0 FCADRP COc1ccc(OC)c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1N ZINC001139280030 849335013 /nfs/dbraw/zinc/33/50/13/849335013.db2.gz KHSSDPSZAARSGF-UHFFFAOYSA-N 2 0 350.463 0.882 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001142680758 849458513 /nfs/dbraw/zinc/45/85/13/849458513.db2.gz DFUSRFRTINALEZ-WNZSCWOMSA-N 2 0 357.495 0.692 20 0 FCADRP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153419756 849746161 /nfs/dbraw/zinc/74/61/61/849746161.db2.gz UNXQUDHAEFHXLA-NXHRZFHOSA-N 2 0 355.523 0.942 20 0 FCADRP CCCCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778927 862075322 /nfs/dbraw/zinc/07/53/22/862075322.db2.gz VEQNWNGJKMOZDO-WMZOPIPTSA-N 2 0 357.495 0.029 20 0 FCADRP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778925 862076755 /nfs/dbraw/zinc/07/67/55/862076755.db2.gz VEQNWNGJKMOZDO-FUHWJXTLSA-N 2 0 357.495 0.029 20 0 FCADRP CCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001157616770 849984872 /nfs/dbraw/zinc/98/48/72/849984872.db2.gz XRABWWZYWHDRHF-AWEZNQCLSA-N 2 0 352.504 0.753 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627007 849985822 /nfs/dbraw/zinc/98/58/22/849985822.db2.gz LBADBGRLKHJAEP-UHFFFAOYSA-N 2 0 352.523 0.679 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC001158166602 850021033 /nfs/dbraw/zinc/02/10/33/850021033.db2.gz AIVWXFVHNDMWHD-MRVWCRGKSA-N 2 0 354.248 0.896 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191289 850023641 /nfs/dbraw/zinc/02/36/41/850023641.db2.gz OMPKQRVHNBUDKJ-FEPWIYDJSA-N 2 0 356.536 0.547 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250512 850029077 /nfs/dbraw/zinc/02/90/77/850029077.db2.gz UMJRBQYACGLWMD-YCINEILWSA-N 2 0 355.426 0.758 20 0 FCADRP COC(OC)c1c(CO)ccnc1N1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001158263053 850031124 /nfs/dbraw/zinc/03/11/24/850031124.db2.gz XMICIFJZKRFLNM-AWEZNQCLSA-N 2 0 350.463 0.867 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]Cc2cnns2)CC1 ZINC001158282205 850033670 /nfs/dbraw/zinc/03/36/70/850033670.db2.gz NMOBLVRTBSJRJK-CVEARBPZSA-N 2 0 367.519 0.881 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001158337408 850037553 /nfs/dbraw/zinc/03/75/53/850037553.db2.gz NCRWRWOTXBANRO-NWDGAFQWSA-N 2 0 352.401 0.491 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCCc2ccsc2)CC[N@@H+]1C ZINC001158379558 850041044 /nfs/dbraw/zinc/04/10/44/850041044.db2.gz CFFFKQLZKSDNDR-GDBMZVCRSA-N 2 0 366.531 0.843 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC(F)F)C2 ZINC001158379930 850041238 /nfs/dbraw/zinc/04/12/38/850041238.db2.gz GNHRMDITLAQXRW-AQUOVQTQSA-N 2 0 373.322 0.513 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CCCC[NH3+])C2 ZINC001158384056 850043608 /nfs/dbraw/zinc/04/36/08/850043608.db2.gz QCSMTORYNFWAAN-UONOGXRCSA-N 2 0 351.369 0.659 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1CC[NH2+]CC1)C2 ZINC001158384293 850044753 /nfs/dbraw/zinc/04/47/53/850044753.db2.gz RTXIBGLKOARLAZ-LSDHHAIUSA-N 2 0 363.380 0.530 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158389709 850045523 /nfs/dbraw/zinc/04/55/23/850045523.db2.gz JANVFMUICOVYAB-BZUAXINKSA-N 2 0 356.511 0.354 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158403850 850047527 /nfs/dbraw/zinc/04/75/27/850047527.db2.gz JVVJOFQDWOPMRY-UONOGXRCSA-N 2 0 355.483 0.048 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158423103 850049135 /nfs/dbraw/zinc/04/91/35/850049135.db2.gz NEEUZGCZBNZYPY-BZUAXINKSA-N 2 0 362.499 0.326 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001158413398 850049317 /nfs/dbraw/zinc/04/93/17/850049317.db2.gz ZZRSQCWTSFJBKX-QWHCGFSZSA-N 2 0 366.428 0.833 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533351 850059309 /nfs/dbraw/zinc/05/93/09/850059309.db2.gz KQWMKMOYRWPESX-GMLZMKKNSA-N 2 0 351.397 0.814 20 0 FCADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC3)cs1 ZINC001158976232 850089131 /nfs/dbraw/zinc/08/91/31/850089131.db2.gz FQOXJSZYFIPPGO-INIZCTEOSA-N 2 0 363.531 0.970 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160920 850098209 /nfs/dbraw/zinc/09/82/09/850098209.db2.gz VRHHZXZPRDWKIA-QWJLCTJOSA-N 2 0 359.536 0.621 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159191532 850099428 /nfs/dbraw/zinc/09/94/28/850099428.db2.gz IACAXEKXXFCQPL-HOCLYGCPSA-N 2 0 367.519 0.287 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc(N3CCC([NH3+])CC3)n2)O1 ZINC001159243603 850103999 /nfs/dbraw/zinc/10/39/99/850103999.db2.gz QKINSZINJYCBJM-IIAWOOMASA-N 2 0 350.467 0.541 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001159481158 850117612 /nfs/dbraw/zinc/11/76/12/850117612.db2.gz IHQBZDKFWHKZFH-DWJUFWINSA-N 2 0 371.547 0.289 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])NC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001159780378 850136117 /nfs/dbraw/zinc/13/61/17/850136117.db2.gz ZEYBSQNYRPWZDX-SNVBAGLBSA-N 2 0 350.801 0.629 20 0 FCADRP N[C@@H](C[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159887996 850143429 /nfs/dbraw/zinc/14/34/29/850143429.db2.gz ZHWHSZOZKKXTSJ-GOEBONIOSA-N 2 0 353.417 0.427 20 0 FCADRP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793990 862096251 /nfs/dbraw/zinc/09/62/51/862096251.db2.gz BXWNZBLBXWCAFX-QAPCUYQASA-N 2 0 355.479 0.175 20 0 FCADRP COC[C@H]1COCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001160057106 850150680 /nfs/dbraw/zinc/15/06/80/850150680.db2.gz GEZRAGCIWDLZCZ-JTDSTZFVSA-N 2 0 351.491 0.477 20 0 FCADRP Cc1ccc(N2C[C@]3(CCN(C(=O)C[NH2+]CCC[NH3+])C3)CC2=O)s1 ZINC001160094905 850153118 /nfs/dbraw/zinc/15/31/18/850153118.db2.gz RDDMQIJAZWBNLL-QGZVFWFLSA-N 2 0 350.488 0.950 20 0 FCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)C1 ZINC001160388575 850170018 /nfs/dbraw/zinc/17/00/18/850170018.db2.gz LDXLTRMTIGUVRB-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160387788 850170144 /nfs/dbraw/zinc/17/01/44/850170144.db2.gz DAKVCFKTUKSTCQ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506175 850177644 /nfs/dbraw/zinc/17/76/44/850177644.db2.gz JCWHEMPYLWPGLS-LBPRGKRZSA-N 2 0 351.838 0.309 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2cc(Br)cnc2C1 ZINC001160663969 850190009 /nfs/dbraw/zinc/19/00/09/850190009.db2.gz LRBSXWNSSURLHM-CYBMUJFWSA-N 2 0 368.279 0.437 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@H]1C[NH2+]CC2 ZINC001160811634 850200752 /nfs/dbraw/zinc/20/07/52/850200752.db2.gz QYYKRLMHFCMRRX-RVKKMQEKSA-N 2 0 354.495 0.047 20 0 FCADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC2 ZINC001160906007 850212866 /nfs/dbraw/zinc/21/28/66/850212866.db2.gz YOQMEGMZBPPYKO-ZDUSSCGKSA-N 2 0 351.451 0.508 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967443 850215711 /nfs/dbraw/zinc/21/57/11/850215711.db2.gz LRWGSDGWPPDPBO-GXTWGEPZSA-N 2 0 350.369 0.744 20 0 FCADRP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2)ncn1 ZINC001161093678 850230081 /nfs/dbraw/zinc/23/00/81/850230081.db2.gz VCXOWRZCULWVBB-AWEZNQCLSA-N 2 0 350.467 0.193 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001161176553 850237744 /nfs/dbraw/zinc/23/77/44/850237744.db2.gz VUWQOFVGILFJOO-DLBZAZTESA-N 2 0 352.523 0.366 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196994 850238668 /nfs/dbraw/zinc/23/86/68/850238668.db2.gz VZPLKAGKCSBWAG-QZTJIDSGSA-N 2 0 352.523 0.664 20 0 FCADRP C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H](C)[NH2+]1 ZINC001161231733 850241616 /nfs/dbraw/zinc/24/16/16/850241616.db2.gz OAHKRHWUCHGGPV-AJNGGQMLSA-N 2 0 354.495 0.329 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321820 850252333 /nfs/dbraw/zinc/25/23/33/850252333.db2.gz QBNKMLVPDZZWQS-OTRWWLKZSA-N 2 0 353.463 0.415 20 0 FCADRP O=C([C@@H]1CC[NH2+]1)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354975 850252769 /nfs/dbraw/zinc/25/27/69/850252769.db2.gz TTXZCGVBZSNNCC-AWEZNQCLSA-N 2 0 350.444 0.194 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381619 850255406 /nfs/dbraw/zinc/25/54/06/850255406.db2.gz YNEAMHFODARSHV-SUMDDJOVSA-N 2 0 350.507 0.559 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380366 850255782 /nfs/dbraw/zinc/25/57/82/850255782.db2.gz VEKREKGCZZTULU-IRXDYDNUSA-N 2 0 352.429 0.859 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444062 850260183 /nfs/dbraw/zinc/26/01/83/850260183.db2.gz BAWIIDPADPACBT-KURKYZTESA-N 3 0 351.539 0.203 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])Cc1cccs1)CC2 ZINC001161481061 850262206 /nfs/dbraw/zinc/26/22/06/850262206.db2.gz WETZLSIBJXQGBX-QEORTHHSSA-N 2 0 351.472 0.762 20 0 FCADRP C[NH2+][C@H](C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479639 850262557 /nfs/dbraw/zinc/26/25/57/850262557.db2.gz QFSROTBERLRTHM-ZXTQRBJTSA-N 2 0 355.479 0.532 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H](c2ccsc2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161500841 850265076 /nfs/dbraw/zinc/26/50/76/850265076.db2.gz QGDGOOYGGGEUJV-HUUCEWRRSA-N 2 0 350.488 0.271 20 0 FCADRP CCOC(=O)c1cnc([S@@](C)=O)nc1NC(=[NH2+])NCC[NH+](CC)CC ZINC001163129411 850356468 /nfs/dbraw/zinc/35/64/68/850356468.db2.gz WVLUHZVLUJDBHE-RUZDIDTESA-N 2 0 370.479 0.669 20 0 FCADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)N1 ZINC001163246892 850361803 /nfs/dbraw/zinc/36/18/03/850361803.db2.gz BWCCKNCITQBJGV-DOTOQJQBSA-N 2 0 364.471 0.202 20 0 FCADRP CCOC(=O)c1cn(-c2nc(Cl)nc3c2C[N@H+](C)CC3)nc1C[NH3+] ZINC001163522125 850371876 /nfs/dbraw/zinc/37/18/76/850371876.db2.gz DQJQFIKLVUCNAV-UHFFFAOYSA-N 2 0 350.810 0.939 20 0 FCADRP C[NH+](C)C[C@@H]1CCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001165071592 850422349 /nfs/dbraw/zinc/42/23/49/850422349.db2.gz JMCRKVFUXKGPPR-LBPRGKRZSA-N 2 0 353.492 0.099 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(NCC[NH+]3CCSCC3)nn2)CC1 ZINC001167837262 850555701 /nfs/dbraw/zinc/55/57/01/850555701.db2.gz IDBFPYKKHLFGMX-UHFFFAOYSA-N 2 0 364.519 0.761 20 0 FCADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133387 850608107 /nfs/dbraw/zinc/60/81/07/850608107.db2.gz FJYJUABIYWSGFH-ILYVXUQDSA-N 2 0 351.491 0.665 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(O[C@@H]3CCC[NH2+]C3)nn2)O1 ZINC001170276595 850648795 /nfs/dbraw/zinc/64/87/95/850648795.db2.gz FGBNAGPTSHIXJN-VMUDFCTBSA-N 2 0 351.451 0.744 20 0 FCADRP Cc1nc(N2CCOCC2)cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])[nH+]1 ZINC001170271036 850648899 /nfs/dbraw/zinc/64/88/99/850648899.db2.gz SANDYEWHWJVJRO-CKEIUWERSA-N 2 0 351.451 0.758 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001170878830 850669394 /nfs/dbraw/zinc/66/93/94/850669394.db2.gz RTYYOINPNYLXKG-SOUVJXGZSA-N 2 0 351.499 0.705 20 0 FCADRP CC(=O)NC[C@H]1CN(c2ccc(N[C@H]([NH3+])CCC[NH3+])c(F)c2)C(=O)O1 ZINC001170900629 850669898 /nfs/dbraw/zinc/66/98/98/850669898.db2.gz MTYNKOORMXEOII-WFASDCNBSA-N 2 0 353.398 0.723 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172282406 850709823 /nfs/dbraw/zinc/70/98/23/850709823.db2.gz AAUNQOQKJPJSKH-MRXNPFEDSA-N 2 0 352.523 0.724 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)N(O)N=O ZINC001172664947 850712218 /nfs/dbraw/zinc/71/22/18/850712218.db2.gz SYZGRBIHBMANOX-OAHLLOKOSA-N 2 0 350.423 0.316 20 0 FCADRP CC[N@@H+]1CC[C@@H](N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)C1 ZINC001173363424 850720554 /nfs/dbraw/zinc/72/05/54/850720554.db2.gz XIMDSRSZYJILSF-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CC1 ZINC001180344833 851027104 /nfs/dbraw/zinc/02/71/04/851027104.db2.gz DIJWWRUOXXCDOQ-HDICACEKSA-N 2 0 350.507 0.334 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CN2CC[NH+](C(C)C)CC2)CC1 ZINC001180351960 851027803 /nfs/dbraw/zinc/02/78/03/851027803.db2.gz FJUMYLCEHPMSCQ-UHFFFAOYSA-N 2 0 354.495 0.286 20 0 FCADRP CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001181317866 851101757 /nfs/dbraw/zinc/10/17/57/851101757.db2.gz BMUNRJAOUUEYDT-CQSZACIVSA-N 2 0 355.389 0.473 20 0 FCADRP C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N(c1ccccc1)S(C)(=O)=O ZINC001182105012 851155300 /nfs/dbraw/zinc/15/53/00/851155300.db2.gz UKFRGBMFHUXMIS-GFCCVEGCSA-N 2 0 355.464 0.302 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001182676178 851190580 /nfs/dbraw/zinc/19/05/80/851190580.db2.gz DDKQJETYSWCXPM-IJLUTSLNSA-N 2 0 350.385 0.196 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001182693064 851192858 /nfs/dbraw/zinc/19/28/58/851192858.db2.gz RCRGBDFUFZLKNP-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001182692324 851192880 /nfs/dbraw/zinc/19/28/80/851192880.db2.gz IRKWSWZKYWRPDC-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250463 851345005 /nfs/dbraw/zinc/34/50/05/851345005.db2.gz GREYRHZUYDHGNX-HZPDHXFCSA-N 2 0 352.523 0.770 20 0 FCADRP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)CCCC1 ZINC001188690937 851720296 /nfs/dbraw/zinc/72/02/96/851720296.db2.gz SWGXHWCWQYQNAM-DLBZAZTESA-N 2 0 353.507 0.793 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978604 851739070 /nfs/dbraw/zinc/73/90/70/851739070.db2.gz AAWYKOAVOIAKMX-DLBZAZTESA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062318 851747495 /nfs/dbraw/zinc/74/74/95/851747495.db2.gz RMJNSCVBDISKEY-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC1(C)OCC(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2ccnc2)CO1 ZINC001278267774 862282865 /nfs/dbraw/zinc/28/28/65/862282865.db2.gz NRBKCPFHYLXUPW-SJORKVTESA-N 2 0 350.463 0.667 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCc3ccns3)C[C@H]21 ZINC001189811327 851827332 /nfs/dbraw/zinc/82/73/32/851827332.db2.gz XKCSRMCTXPSFMQ-GOEBONIOSA-N 2 0 352.504 0.797 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177567 851870618 /nfs/dbraw/zinc/87/06/18/851870618.db2.gz OWBCRFRABPQHGD-RCCFBDPRSA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001190237347 851881323 /nfs/dbraw/zinc/88/13/23/851881323.db2.gz AJMQFRGVXYFTOQ-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190480805 851911007 /nfs/dbraw/zinc/91/10/07/851911007.db2.gz LOIZYFPOKGEDAH-ZWKOTPCHSA-N 2 0 353.507 0.794 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192990242 852331182 /nfs/dbraw/zinc/33/11/82/852331182.db2.gz WNXMQGXNTPOCKJ-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024400 852339189 /nfs/dbraw/zinc/33/91/89/852339189.db2.gz PRTANFZTCKVJBF-KZNAEPCWSA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066808 852348931 /nfs/dbraw/zinc/34/89/31/852348931.db2.gz IQPSXBAYFZYIPF-IAGOWNOFSA-N 2 0 351.495 0.656 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CCC1 ZINC001193766798 852485890 /nfs/dbraw/zinc/48/58/90/852485890.db2.gz XSTLVOSTYXPGDS-BRWVUGGUSA-N 2 0 353.507 0.573 20 0 FCADRP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102337 852537145 /nfs/dbraw/zinc/53/71/45/852537145.db2.gz IGLLVACBAGADTP-IAGOWNOFSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832753 852658559 /nfs/dbraw/zinc/65/85/59/852658559.db2.gz RXTMNLACVNMOGS-RVKOJVRFSA-N 2 0 351.491 0.447 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)CCCC1 ZINC001195006021 852690920 /nfs/dbraw/zinc/69/09/20/852690920.db2.gz CRWDXLVYDINURT-BRWVUGGUSA-N 2 0 353.507 0.981 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196177380 852906041 /nfs/dbraw/zinc/90/60/41/852906041.db2.gz XUTQXKMIUDSLKC-IIDMSEBBSA-N 2 0 359.486 0.787 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645299 852992152 /nfs/dbraw/zinc/99/21/52/852992152.db2.gz NHHGISUXNFLLRV-QZTJIDSGSA-N 2 0 355.523 0.942 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O)C(C)C ZINC001197024640 853050805 /nfs/dbraw/zinc/05/08/05/853050805.db2.gz GULRWFMXFCIVJD-ZACQAIPSSA-N 2 0 359.511 0.177 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001197724209 853152962 /nfs/dbraw/zinc/15/29/62/853152962.db2.gz PXQIOKVQAZOVMU-GVDBMIGSSA-N 2 0 359.511 0.057 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001197948866 853189708 /nfs/dbraw/zinc/18/97/08/853189708.db2.gz MKPIOGUZIKTTFK-KZNAEPCWSA-N 2 0 355.523 0.821 20 0 FCADRP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699368 853304213 /nfs/dbraw/zinc/30/42/13/853304213.db2.gz ORUQNNHSXZHVMC-CPRFOPHYSA-N 2 0 353.507 0.862 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057449 853361619 /nfs/dbraw/zinc/36/16/19/853361619.db2.gz JXXOPCZXPGBRTD-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200546488 853502598 /nfs/dbraw/zinc/50/25/98/853502598.db2.gz DFCUZQBZRJWOML-IXDOHACOSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205432355 853609423 /nfs/dbraw/zinc/60/94/23/853609423.db2.gz MJGRMFNZJSBCAO-VBNZEHGJSA-N 2 0 350.438 0.535 20 0 FCADRP [NH3+][C@@H]1CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)CC[C@H]1O ZINC001206092478 853657135 /nfs/dbraw/zinc/65/71/35/853657135.db2.gz ISPZPBANIDXMCN-GDBMZVCRSA-N 2 0 369.307 0.753 20 0 FCADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992683 853777982 /nfs/dbraw/zinc/77/79/82/853777982.db2.gz AWFHMHWLFYWBJP-KLHDSHLOSA-N 2 0 374.551 0.093 20 0 FCADRP O=C(CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC[NH2+]CC1)N1CCCC1 ZINC001207435883 853812873 /nfs/dbraw/zinc/81/28/73/853812873.db2.gz ZHQBSSVBEBCJAT-YQVWRLOYSA-N 2 0 351.491 0.857 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001207443248 853814585 /nfs/dbraw/zinc/81/45/85/853814585.db2.gz PLEIDWIVFPSDPW-DLBZAZTESA-N 2 0 358.552 0.368 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001207483113 853818404 /nfs/dbraw/zinc/81/84/04/853818404.db2.gz TZXATUIYTDIUFK-KZNAEPCWSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563367 853826047 /nfs/dbraw/zinc/82/60/47/853826047.db2.gz RCXBIGJPIFRMTB-UKRRQHHQSA-N 2 0 350.463 0.056 20 0 FCADRP CCN1C[C@@]23C[N@H+](CC4CC[NH+](CC)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001208596274 853957951 /nfs/dbraw/zinc/95/79/51/853957951.db2.gz ILRIGXJRZNBFCD-IKGGRYGDSA-N 2 0 357.520 0.596 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001208604807 853958847 /nfs/dbraw/zinc/95/88/47/853958847.db2.gz WHVOWCJLJGBFRL-KRWDZBQOSA-N 2 0 350.507 0.587 20 0 FCADRP CC(=O)N1CCC[C@@H](C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001208983578 853986615 /nfs/dbraw/zinc/98/66/15/853986615.db2.gz UEPVBBJWAOTUQY-INIZCTEOSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829887 854056904 /nfs/dbraw/zinc/05/69/04/854056904.db2.gz MCJWMNURDACJAC-CRAIPNDOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1C ZINC001211046276 854150404 /nfs/dbraw/zinc/15/04/04/854150404.db2.gz LROKVLFPZILHCO-RBSFLKMASA-N 2 0 363.449 0.673 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204613 854531838 /nfs/dbraw/zinc/53/18/38/854531838.db2.gz VGWGDINUNHTOKU-HZPDHXFCSA-N 2 0 352.479 0.983 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378621 854594989 /nfs/dbraw/zinc/59/49/89/854594989.db2.gz ZICACSPEKKLRSZ-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446144 854619926 /nfs/dbraw/zinc/61/99/26/854619926.db2.gz BSVNTFCJJMASIV-HZPDHXFCSA-N 2 0 359.511 0.443 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1)OC ZINC001213638555 854694432 /nfs/dbraw/zinc/69/44/32/854694432.db2.gz UBSCPSQLNZHQSP-USXIJHARSA-N 2 0 357.495 0.338 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213678123 854712361 /nfs/dbraw/zinc/71/23/61/854712361.db2.gz FTQYFXPFGDGWOY-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336161 854927507 /nfs/dbraw/zinc/92/75/07/854927507.db2.gz WMABULDVGOXJTF-OAGGEKHMSA-N 2 0 359.536 0.730 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655955 854987056 /nfs/dbraw/zinc/98/70/56/854987056.db2.gz XTFDDFJZLFJMKF-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001214668242 854988820 /nfs/dbraw/zinc/98/88/20/854988820.db2.gz YPSDJTPBSXOQTK-QKPAOTATSA-N 2 0 359.536 0.588 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001214755094 855002430 /nfs/dbraw/zinc/00/24/30/855002430.db2.gz RFYODNYISQXLGD-OWCLPIDISA-N 2 0 358.502 0.875 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C1CC1 ZINC001214847848 855022369 /nfs/dbraw/zinc/02/23/69/855022369.db2.gz VHEBWMWKAQPYKV-IJEWVQPXSA-N 2 0 350.507 0.822 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855758 855023193 /nfs/dbraw/zinc/02/31/93/855023193.db2.gz NFIOZHLRGURLIZ-BMFZPTHFSA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214855240 855023374 /nfs/dbraw/zinc/02/33/74/855023374.db2.gz AUFGSGUSWPKBLH-MPKXVKKWSA-N 2 0 364.412 0.442 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214855588 855023545 /nfs/dbraw/zinc/02/35/45/855023545.db2.gz HPCJWVNSKKUKDB-QKCSRTOESA-N 2 0 366.491 0.253 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214855587 855023601 /nfs/dbraw/zinc/02/36/01/855023601.db2.gz HPCJWVNSKKUKDB-MPKXVKKWSA-N 2 0 366.491 0.253 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214889291 855028866 /nfs/dbraw/zinc/02/88/66/855028866.db2.gz IQMACHBBOPCTLI-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1)[NH+](C)C ZINC001214905122 855031122 /nfs/dbraw/zinc/03/11/22/855031122.db2.gz ZIMWYPMGMDXECY-BZPMIXESSA-N 2 0 368.507 0.499 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948408 855039047 /nfs/dbraw/zinc/03/90/47/855039047.db2.gz NYVGHAWMTOERBR-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001215003797 855051011 /nfs/dbraw/zinc/05/10/11/855051011.db2.gz KLLLABNZAHHFSQ-HUUCEWRRSA-N 2 0 356.511 0.306 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215036279 855057074 /nfs/dbraw/zinc/05/70/74/855057074.db2.gz VEYUCDHDBRYRPD-DJIMGWMZSA-N 2 0 350.507 0.822 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224350 855084478 /nfs/dbraw/zinc/08/44/78/855084478.db2.gz OLWXTQWSQMGZRD-QGPMSJSTSA-N 2 0 350.507 0.824 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414367 855112006 /nfs/dbraw/zinc/11/20/06/855112006.db2.gz VNNRFCPRBHNOFA-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001215416643 855112319 /nfs/dbraw/zinc/11/23/19/855112319.db2.gz VWPDICBLRXZYDR-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215453846 855117217 /nfs/dbraw/zinc/11/72/17/855117217.db2.gz VBUWVOFNTKAINB-DGCLKSJQSA-N 2 0 364.412 0.443 20 0 FCADRP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461082 855118247 /nfs/dbraw/zinc/11/82/47/855118247.db2.gz QXAUJKXUFZONPE-HZPDHXFCSA-N 2 0 361.552 0.980 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001215539864 855126305 /nfs/dbraw/zinc/12/63/05/855126305.db2.gz AVRHXKOLYWYYKH-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001215544263 855127338 /nfs/dbraw/zinc/12/73/38/855127338.db2.gz MRVHWCKYTHNYJU-JHJVBQTASA-N 2 0 364.412 0.443 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001215993907 855163117 /nfs/dbraw/zinc/16/31/17/855163117.db2.gz HPIOQURTOFGRSW-CHWSQXEVSA-N 2 0 353.492 0.860 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216002620 855163976 /nfs/dbraw/zinc/16/39/76/855163976.db2.gz XOVKUCOVHPOYHU-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001215998853 855164005 /nfs/dbraw/zinc/16/40/05/855164005.db2.gz FNGABSXNVJOYNE-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053415 855166604 /nfs/dbraw/zinc/16/66/04/855166604.db2.gz LWUPCDLQULOAQY-IAGOWNOFSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216226080 855180292 /nfs/dbraw/zinc/18/02/92/855180292.db2.gz MDSDKKMKLRUFFH-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216217560 855180420 /nfs/dbraw/zinc/18/04/20/855180420.db2.gz YWLQJWBLIQUMAR-GDBMZVCRSA-N 2 0 350.463 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1 ZINC001216217292 855180550 /nfs/dbraw/zinc/18/05/50/855180550.db2.gz PBYGPBKXGZIJPO-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001216463266 855204924 /nfs/dbraw/zinc/20/49/24/855204924.db2.gz BIVLPELAQGTUAC-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216464883 855205265 /nfs/dbraw/zinc/20/52/65/855205265.db2.gz UZKOGPOIRSLAHD-BRWVUGGUSA-N 2 0 359.511 0.179 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463878 855205319 /nfs/dbraw/zinc/20/53/19/855205319.db2.gz KBLRVMZYRINGIV-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216507078 855209722 /nfs/dbraw/zinc/20/97/22/855209722.db2.gz RNRAKOICVBWJBV-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216515031 855210819 /nfs/dbraw/zinc/21/08/19/855210819.db2.gz NDQYHDMQCJELEO-UKRRQHHQSA-N 2 0 351.447 0.927 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757539 855234048 /nfs/dbraw/zinc/23/40/48/855234048.db2.gz CLHYBZQMQZWZIY-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216841070 855255087 /nfs/dbraw/zinc/25/50/87/855255087.db2.gz OIFLSZWJFKYFRK-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncc(Br)nc1C(=O)OC ZINC001218525330 855434238 /nfs/dbraw/zinc/43/42/38/855434238.db2.gz USOJDWCZRISIAU-QMMMGPOBSA-N 2 0 374.239 0.681 20 0 FCADRP CCc1cc(C(=O)OC)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)s1 ZINC001218546718 855437453 /nfs/dbraw/zinc/43/74/53/855437453.db2.gz HYHYGTMWPBATAJ-ZDUSSCGKSA-N 2 0 354.476 0.786 20 0 FCADRP [NH3+][C@H](C(=O)Nc1nc(Br)cn2ccnc12)C1CC[NH2+]CC1 ZINC001218562975 855439300 /nfs/dbraw/zinc/43/93/00/855439300.db2.gz ABUFKCOIFHVYAW-JTQLQIEISA-N 2 0 353.224 0.757 20 0 FCADRP O=C(Nc1nc(Br)cn2ccnc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563352 855439406 /nfs/dbraw/zinc/43/94/06/855439406.db2.gz KUZXCDMATKVSNL-QMMMGPOBSA-N 2 0 351.208 0.239 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnc2[nH]cc(Br)c21 ZINC001218616388 855450256 /nfs/dbraw/zinc/45/02/56/855450256.db2.gz RRZKNUCWMOREKN-ZETCQYMHSA-N 2 0 359.253 0.678 20 0 FCADRP O=C(Nc1csc(N2CCOCC2)n1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218622914 855451978 /nfs/dbraw/zinc/45/19/78/855451978.db2.gz XGCXHBBBWWMVOY-GFCCVEGCSA-N 2 0 351.476 0.792 20 0 FCADRP COc1ccc(Br)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218655082 855459940 /nfs/dbraw/zinc/45/99/40/855459940.db2.gz RPRIXXDAFXKPOZ-LLVKDONJSA-N 2 0 372.267 0.542 20 0 FCADRP NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218666535 855460339 /nfs/dbraw/zinc/46/03/39/855460339.db2.gz OGWOZNYCLXYJSV-NXSYQRQQSA-N 2 0 358.229 0.625 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1CCSC12C[NH2+]C2 ZINC001218880188 855490224 /nfs/dbraw/zinc/49/02/24/855490224.db2.gz SZUVMLWUUXINRA-AWEZNQCLSA-N 2 0 360.483 0.766 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580712 855721508 /nfs/dbraw/zinc/72/15/08/855721508.db2.gz QSWYKGAQNBQFKL-RWMBFGLXSA-N 2 0 360.252 0.026 20 0 FCADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219608300 855732876 /nfs/dbraw/zinc/73/28/76/855732876.db2.gz UHHGUSDWYFWIMJ-NHYWBVRUSA-N 2 0 357.380 0.545 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732172 855789810 /nfs/dbraw/zinc/78/98/10/855789810.db2.gz PKIKIYLWVPTUIG-BBWFWOEESA-N 2 0 359.486 0.644 20 0 FCADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741458 855794997 /nfs/dbraw/zinc/79/49/97/855794997.db2.gz LKYHPUYEAFMCJZ-FCEWJHQRSA-N 2 0 351.491 0.953 20 0 FCADRP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794913 855816272 /nfs/dbraw/zinc/81/62/72/855816272.db2.gz SNHDXMGKFSMAPO-KURKYZTESA-N 2 0 353.507 0.981 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800404 855819064 /nfs/dbraw/zinc/81/90/64/855819064.db2.gz JLSUUXXXJFFTKR-KBPBESRZSA-N 2 0 355.479 0.711 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c2ccsc2)C1 ZINC001219813151 855828350 /nfs/dbraw/zinc/82/83/50/855828350.db2.gz OTSJYEBMEVAGKZ-DFGXFYAUSA-N 2 0 364.515 0.565 20 0 FCADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219823502 855832159 /nfs/dbraw/zinc/83/21/59/855832159.db2.gz QUSRFQFDRGKNGT-OLZOCXBDSA-N 2 0 369.512 0.423 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219829742 855835067 /nfs/dbraw/zinc/83/50/67/855835067.db2.gz CMAVHFHBIQCWQS-KSZLIROESA-N 2 0 353.507 0.839 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219831178 855835927 /nfs/dbraw/zinc/83/59/27/855835927.db2.gz AJGVMBDMIKVNHW-NCOADZHNSA-N 2 0 364.515 0.578 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)Cc1cccs1 ZINC001219835184 855838333 /nfs/dbraw/zinc/83/83/33/855838333.db2.gz YRWQZYYPQYKTRR-JKIFEVAISA-N 2 0 353.488 0.519 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001219847459 855843940 /nfs/dbraw/zinc/84/39/40/855843940.db2.gz IARKILUVIULFGN-LUKYLMHMSA-N 2 0 365.499 0.891 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccsc2)C1 ZINC001219854284 855846828 /nfs/dbraw/zinc/84/68/28/855846828.db2.gz HCHVKSXLZYSBCC-IBEHDNSVSA-N 2 0 350.488 0.315 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867985 855853569 /nfs/dbraw/zinc/85/35/69/855853569.db2.gz WEYYSVUMPRPQJN-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867833 855854135 /nfs/dbraw/zinc/85/41/35/855854135.db2.gz SGUNVWKBHIANNL-SJORKVTESA-N 2 0 353.507 0.840 20 0 FCADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220053579 855934699 /nfs/dbraw/zinc/93/46/99/855934699.db2.gz WJSSOUUOOWJJGH-OAGGEKHMSA-N 2 0 350.463 0.331 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220058080 855937521 /nfs/dbraw/zinc/93/75/21/855937521.db2.gz SAWOYASZMAMOKN-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220253785 856030966 /nfs/dbraw/zinc/03/09/66/856030966.db2.gz DBJFZGIUABHHIC-NEPJUHHUSA-N 2 0 352.401 0.763 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220315700 856061251 /nfs/dbraw/zinc/06/12/51/856061251.db2.gz HFKNJKZMRPNDBW-GJYPPUQNSA-N 3 0 350.507 0.478 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220318885 856063806 /nfs/dbraw/zinc/06/38/06/856063806.db2.gz BJGIGYWNDGHMNT-SUNYJGFJSA-N 2 0 355.479 0.853 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369859 856088819 /nfs/dbraw/zinc/08/88/19/856088819.db2.gz VFRVSYLRARWKTR-XHSDSOJGSA-N 2 0 355.523 0.941 20 0 FCADRP CCCn1c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc(=O)n(CCC)c1=O ZINC001220424926 856119753 /nfs/dbraw/zinc/11/97/53/856119753.db2.gz YXNHFYXRJWIIST-OAHLLOKOSA-N 2 0 351.451 0.095 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)O1 ZINC001220481698 856147658 /nfs/dbraw/zinc/14/76/58/856147658.db2.gz NSDCMLAETPCZCX-WRYZSIRCSA-N 2 0 353.385 0.758 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCC1([NH3+])CCCC1 ZINC001220497382 856155021 /nfs/dbraw/zinc/15/50/21/856155021.db2.gz UDQPXLXRLQHWLF-IHRRRGAJSA-N 2 0 358.552 0.985 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nccc(Cl)n1 ZINC001220530256 856169726 /nfs/dbraw/zinc/16/97/26/856169726.db2.gz OQRTYLLSHXVCCL-RYUDHWBXSA-N 2 0 368.869 0.194 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220575011 856190668 /nfs/dbraw/zinc/19/06/68/856190668.db2.gz MVQVZVHUIAASLI-OLZOCXBDSA-N 2 0 355.401 0.459 20 0 FCADRP CCOC(=O)C1(C(=O)N[C@@H](C[NH3+])c2ccc(Br)cc2)C[NH2+]C1 ZINC001220607336 856204117 /nfs/dbraw/zinc/20/41/17/856204117.db2.gz KCTATGXPMOOFTA-LBPRGKRZSA-N 2 0 370.247 0.718 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)c1ccc(Br)cc1 ZINC001220607337 856204154 /nfs/dbraw/zinc/20/41/54/856204154.db2.gz KCTDOQFFAIPFPI-REWJHTLYSA-N 2 0 354.248 0.942 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608234 856204235 /nfs/dbraw/zinc/20/42/35/856204235.db2.gz SNCUIOZINWXEBU-UONOGXRCSA-N 2 0 366.263 0.869 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607900 856204427 /nfs/dbraw/zinc/20/44/27/856204427.db2.gz PLVZWIIVCTZGKK-VXGBXAGGSA-N 2 0 372.267 0.341 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220610201 856206015 /nfs/dbraw/zinc/20/60/15/856206015.db2.gz LBRAUXBJVUZCPS-NWDGAFQWSA-N 3 0 361.309 0.584 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001220716312 856260202 /nfs/dbraw/zinc/26/02/02/856260202.db2.gz DJQGSQNBQLFRPN-XQLPTFJDSA-N 2 0 354.495 0.377 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@H](O)[C@@H]([NH3+])CC2CCCCC2)C[NH2+]C1 ZINC001220827911 856327652 /nfs/dbraw/zinc/32/76/52/856327652.db2.gz CLRPGGWKUXIXEY-HOCLYGCPSA-N 2 0 353.463 0.572 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(C(F)(F)F)CC1 ZINC001220838574 856332470 /nfs/dbraw/zinc/33/24/70/856332470.db2.gz VNVLYWRLNVCSBD-QWRGUYRKSA-N 2 0 350.385 0.645 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220870199 856348835 /nfs/dbraw/zinc/34/88/35/856348835.db2.gz IXIDKORBJQNMKG-LLVKDONJSA-N 2 0 353.224 0.043 20 0 FCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001220898561 856362860 /nfs/dbraw/zinc/36/28/60/856362860.db2.gz NOKHUHUAQIDSPP-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]([NH3+])CSCNC(C)=O)cc1 ZINC001220903531 856366595 /nfs/dbraw/zinc/36/65/95/856366595.db2.gz UOTIVIAABIHAQB-INIZCTEOSA-N 2 0 352.504 0.690 20 0 FCADRP [NH3+][C@H](C(=O)NC1CCN(C(=O)NC2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001220909248 856369284 /nfs/dbraw/zinc/36/92/84/856369284.db2.gz PLJRAJIZJNXJDW-INIZCTEOSA-N 2 0 351.495 0.546 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)c2ccsc2)C1 ZINC001220936155 856384671 /nfs/dbraw/zinc/38/46/71/856384671.db2.gz CYXNUSFBRRBYSM-PMPSAXMXSA-N 2 0 352.504 0.707 20 0 FCADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccc(F)cc1 ZINC001221060692 856439275 /nfs/dbraw/zinc/43/92/75/856439275.db2.gz KMFACZGHSOZTIW-HNNXBMFYSA-N 2 0 369.462 0.532 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221073537 856449634 /nfs/dbraw/zinc/44/96/34/856449634.db2.gz ZTDTZSGXTYCXOY-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001221148542 856484297 /nfs/dbraw/zinc/48/42/97/856484297.db2.gz FSCGJTHXZGRUSF-WFASDCNBSA-N 2 0 370.450 0.023 20 0 FCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221148692 856485037 /nfs/dbraw/zinc/48/50/37/856485037.db2.gz LISQEUGHSKTMTO-BBRMVZONSA-N 2 0 366.487 0.321 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001221154206 856487023 /nfs/dbraw/zinc/48/70/23/856487023.db2.gz GXUMJDQEFPTIMN-KSZLIROESA-N 2 0 353.507 0.983 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001221158550 856490040 /nfs/dbraw/zinc/49/00/40/856490040.db2.gz LWKDAHXUARHOJP-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCC[NH3+])cc1 ZINC001221348123 856553710 /nfs/dbraw/zinc/55/37/10/856553710.db2.gz UNHZOVQHPICADS-INIZCTEOSA-N 2 0 370.519 0.626 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NC2(CO)CC[NH+](C)CC2)cc1 ZINC001221404627 856558740 /nfs/dbraw/zinc/55/87/40/856558740.db2.gz KSCYLEQLZGALNF-INIZCTEOSA-N 2 0 367.515 0.829 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414583 856560441 /nfs/dbraw/zinc/56/04/41/856560441.db2.gz VEKZQCREQXWGPA-JYJNAYRXSA-N 2 0 355.866 0.798 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669163 856647008 /nfs/dbraw/zinc/64/70/08/856647008.db2.gz BKEVFVALOLTIFW-IAGOWNOFSA-N 2 0 351.491 0.811 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714237 856662255 /nfs/dbraw/zinc/66/22/55/856662255.db2.gz UORPIZYSDYNECM-BRWVUGGUSA-N 2 0 353.507 0.791 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001221950629 856745732 /nfs/dbraw/zinc/74/57/32/856745732.db2.gz QEPASVRLANBZNQ-RCCFBDPRSA-N 2 0 353.507 0.914 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962389 856750201 /nfs/dbraw/zinc/75/02/01/856750201.db2.gz AUUJXWPMUBDYMT-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053483 856788705 /nfs/dbraw/zinc/78/87/05/856788705.db2.gz SBGNTUIJQBCVNS-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1)[NH+](C)C ZINC001222959244 856885081 /nfs/dbraw/zinc/88/50/81/856885081.db2.gz RZOZOUQDOWPCID-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354635 856909816 /nfs/dbraw/zinc/90/98/16/856909816.db2.gz OPUIEEALIZXVHW-YVSFHVDLSA-N 2 0 350.507 0.776 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001223505959 856921083 /nfs/dbraw/zinc/92/10/83/856921083.db2.gz VJADRZHNUHIVRN-SJORKVTESA-N 2 0 353.507 0.650 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500396 856921245 /nfs/dbraw/zinc/92/12/45/856921245.db2.gz SAJQTKOIHOKIGK-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346068 857036249 /nfs/dbraw/zinc/03/62/49/857036249.db2.gz IJOVQMKLNBLVRF-BZUAXINKSA-N 2 0 353.511 0.805 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226563954 857109656 /nfs/dbraw/zinc/10/96/56/857109656.db2.gz GBFBUBBXCYGGNK-RRFJBIMHSA-N 2 0 365.515 0.728 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)CCC1 ZINC001226765531 857124654 /nfs/dbraw/zinc/12/46/54/857124654.db2.gz DGAYFQXYXVYOQX-HUUCEWRRSA-N 2 0 359.536 0.922 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001226819142 857127927 /nfs/dbraw/zinc/12/79/27/857127927.db2.gz VOLQRNXIKWSFLQ-IACUBPJLSA-N 2 0 353.467 0.071 20 0 FCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354325 857155930 /nfs/dbraw/zinc/15/59/30/857155930.db2.gz ARISWFSHGZLJDW-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001228238301 857198460 /nfs/dbraw/zinc/19/84/60/857198460.db2.gz AIWMUPDNEJOLTD-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001228366508 857206842 /nfs/dbraw/zinc/20/68/42/857206842.db2.gz RDHXEDCHIUDDNK-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229524672 857273197 /nfs/dbraw/zinc/27/31/97/857273197.db2.gz QNGWCCZZWCFIPR-GVDBMIGSSA-N 2 0 359.511 0.369 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716326 857283826 /nfs/dbraw/zinc/28/38/26/857283826.db2.gz HCELNCFVKCYGFB-HZPDHXFCSA-N 2 0 350.507 0.871 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001230138009 857305901 /nfs/dbraw/zinc/30/59/01/857305901.db2.gz BLHKTUUDIHRXGI-ARFHVFGLSA-N 2 0 371.547 0.780 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256974 857318722 /nfs/dbraw/zinc/31/87/22/857318722.db2.gz IJVRSFYSNQENJJ-HZPDHXFCSA-N 2 0 359.536 0.924 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001230274569 857322446 /nfs/dbraw/zinc/32/24/46/857322446.db2.gz AABRRZDBIUSNEK-ZIAGYGMSSA-N 2 0 351.451 0.970 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284496 857322527 /nfs/dbraw/zinc/32/25/27/857322527.db2.gz HORXHRFWWCGWJP-HUUCEWRRSA-N 2 0 362.540 0.283 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2ccc(NS(C)(=O)=O)cc2)CCC1=O ZINC001233267955 857379120 /nfs/dbraw/zinc/37/91/20/857379120.db2.gz OQPIGPVMQJJZDG-UHFFFAOYSA-N 2 0 368.503 0.654 20 0 FCADRP COc1cc(Cl)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1 ZINC001235871707 857433761 /nfs/dbraw/zinc/43/37/61/857433761.db2.gz YASJWHAJDCSDRA-UHFFFAOYSA-N 2 0 356.898 0.942 20 0 FCADRP Clc1nc(N2CCCC2)sc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871432 857433815 /nfs/dbraw/zinc/43/38/15/857433815.db2.gz UVIKKNJTBFICQU-UHFFFAOYSA-N 2 0 372.970 0.981 20 0 FCADRP CS(=O)(=O)c1cc(Br)ccc1CN(CC[NH3+])CC[NH3+] ZINC001235878117 857434221 /nfs/dbraw/zinc/43/42/21/857434221.db2.gz ZZNKDGBPQFPREI-UHFFFAOYSA-N 2 0 350.282 0.572 20 0 FCADRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Br)n1 ZINC001235874621 857434329 /nfs/dbraw/zinc/43/43/29/857434329.db2.gz LNWWDFZLLJCQGY-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP Cc1cnc(F)c(CN(CC[NH3+])CC[NH3+])c1I ZINC001235880979 857434470 /nfs/dbraw/zinc/43/44/70/857434470.db2.gz SMQGXUJCICEUMU-UHFFFAOYSA-N 2 0 352.195 0.853 20 0 FCADRP COc1nccc(I)c1CN(CC[NH3+])CC[NH3+] ZINC001235876639 857434699 /nfs/dbraw/zinc/43/46/99/857434699.db2.gz GOPLIPCVUNHCGP-UHFFFAOYSA-N 2 0 350.204 0.414 20 0 FCADRP CCOC(=O)c1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)sc1C ZINC001235875068 857434704 /nfs/dbraw/zinc/43/47/04/857434704.db2.gz ZQSUNQBBYOMPPS-UHFFFAOYSA-N 2 0 355.508 0.213 20 0 FCADRP Cc1cc(Br)ncc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312006 857439635 /nfs/dbraw/zinc/43/96/35/857439635.db2.gz MPYMBDNHRNKDKO-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP COC(=O)c1cc(F)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236311828 857439729 /nfs/dbraw/zinc/43/97/29/857439729.db2.gz NAJQPVJCKBOHMB-UHFFFAOYSA-N 2 0 354.426 0.228 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1Cl ZINC001236316957 857440611 /nfs/dbraw/zinc/44/06/11/857440611.db2.gz WLWBWNZFSNDSOL-UHFFFAOYSA-N 2 0 372.897 0.973 20 0 FCADRP COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1OC ZINC001238241264 857464625 /nfs/dbraw/zinc/46/46/25/857464625.db2.gz JSTZFBPIDYAZQR-CYBMUJFWSA-N 2 0 369.487 0.856 20 0 FCADRP O=S(=O)(NCC1(Cc2cccnc2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238846547 857484562 /nfs/dbraw/zinc/48/45/62/857484562.db2.gz SGTAGEJMIDAYEN-UHFFFAOYSA-N 2 0 352.504 0.665 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c(C)cc1O ZINC001238878586 857485717 /nfs/dbraw/zinc/48/57/17/857485717.db2.gz IJMLMFJLYYJPMJ-UHFFFAOYSA-N 2 0 359.448 0.094 20 0 FCADRP COC(=O)c1cccc(C)c1S(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238880223 857486673 /nfs/dbraw/zinc/48/66/73/857486673.db2.gz YUQJQNPHJNCJQR-UHFFFAOYSA-N 2 0 357.476 0.779 20 0 FCADRP CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502427 862919150 /nfs/dbraw/zinc/91/91/50/862919150.db2.gz QRKBWVCOGHQYHO-HKUYNNGSSA-N 2 0 352.523 0.583 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1c(F)cc(F)cc1Br ZINC001239096400 857512603 /nfs/dbraw/zinc/51/26/03/857512603.db2.gz HLZKLZYJDJUNCV-UHFFFAOYSA-N 2 0 358.208 0.635 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)Nc1cccc2nsnc21 ZINC001239299044 857526868 /nfs/dbraw/zinc/52/68/68/857526868.db2.gz JLXSNECAPVIQJO-UHFFFAOYSA-N 2 0 365.463 0.339 20 0 FCADRP C[C@@H](NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC001239453447 857530105 /nfs/dbraw/zinc/53/01/05/857530105.db2.gz VUDPDLBZOZNNJU-CYBMUJFWSA-N 2 0 369.510 0.877 20 0 FCADRP O[C@@H](CNc1cc(F)ccc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245973447 857561530 /nfs/dbraw/zinc/56/15/30/857561530.db2.gz KVPKWQFFHMMIET-OAHLLOKOSA-N 2 0 352.454 0.513 20 0 FCADRP CCOC(=O)CC1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[NH2+]C1 ZINC001245997108 857562815 /nfs/dbraw/zinc/56/28/15/857562815.db2.gz UICKTOGTHJVPFG-LSDHHAIUSA-N 2 0 357.401 0.080 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245999204 857563264 /nfs/dbraw/zinc/56/32/64/857563264.db2.gz ZKMREHXRBWEOBD-XMTFNYHQSA-N 3 0 355.429 0.696 20 0 FCADRP O[C@H](C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1)COCC(F)(F)C(F)F ZINC001245983524 857563460 /nfs/dbraw/zinc/56/34/60/857563460.db2.gz GUXHDMBNNKBVAP-NWDGAFQWSA-N 2 0 357.392 0.728 20 0 FCADRP [NH3+]CCCC[C@H]([NH2+]C[C@@H](O)COCc1ccco1)C(=O)N1CCCC1 ZINC001246018944 857564666 /nfs/dbraw/zinc/56/46/66/857564666.db2.gz HOVOMHJOARJOLH-WBVHZDCISA-N 2 0 353.463 0.867 20 0 FCADRP O[C@@H](CNC1(c2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008032 857565049 /nfs/dbraw/zinc/56/50/49/857565049.db2.gz RRXJZJRWWBIFBT-QGZVFWFLSA-N 2 0 351.466 0.860 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001246030926 857566286 /nfs/dbraw/zinc/56/62/86/857566286.db2.gz PMWWQMOHGGGHKK-DLBZAZTESA-N 3 0 355.429 0.650 20 0 FCADRP COCCCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC001246060095 857566729 /nfs/dbraw/zinc/56/67/29/857566729.db2.gz SEHJJSZBUMXJCF-OKZBNKHCSA-N 2 0 357.445 0.896 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)COc1ccc(Cl)cc1 ZINC001246049784 857566740 /nfs/dbraw/zinc/56/67/40/857566740.db2.gz BIJAFEFPPJFPCI-OAHLLOKOSA-N 2 0 372.897 0.196 20 0 FCADRP C[NH+]1CCC(N(C[C@H](O)CC2(O)CC[NH2+]CC2)C2CC[NH2+]CC2)CC1 ZINC001246061608 857567261 /nfs/dbraw/zinc/56/72/61/857567261.db2.gz ZAJKEFNXQCYTIY-GOSISDBHSA-N 3 0 354.539 0.000 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@H]2CCCC[C@@]23C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246159848 857569929 /nfs/dbraw/zinc/56/99/29/857569929.db2.gz LETUKPCVQMSAJT-QBYUYEEZSA-N 2 0 354.520 0.141 20 0 FCADRP CC(C)[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215906 857570984 /nfs/dbraw/zinc/57/09/84/857570984.db2.gz KTPWMTCPZFBAES-QZTJIDSGSA-N 3 0 361.527 0.378 20 0 FCADRP COCCC1(C[NH2+][C@H]2CN[C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246367775 857576249 /nfs/dbraw/zinc/57/62/49/857576249.db2.gz CMQGOMXSTHEDPX-CABCVRRESA-N 2 0 356.536 0.246 20 0 FCADRP CCC(CC)[C@@H]([NH2+][C@@H]1CCCN(C)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410487 857577365 /nfs/dbraw/zinc/57/73/65/857577365.db2.gz HLTFPKIUEBRCAF-SISKNIMQSA-N 2 0 355.523 0.972 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246419399 857577637 /nfs/dbraw/zinc/57/76/37/857577637.db2.gz VIANZEAGDDPDEC-AWEZNQCLSA-N 2 0 359.467 0.614 20 0 FCADRP O=C([C@@H]1C[C@H](NC2(c3cccnc3)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246423609 857578660 /nfs/dbraw/zinc/57/86/60/857578660.db2.gz MDIJBXPFTYRIKI-HOTGVXAUSA-N 2 0 361.515 0.513 20 0 FCADRP COc1cccc([C@H](C[NH3+])N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)c1 ZINC001246511070 857582767 /nfs/dbraw/zinc/58/27/67/857582767.db2.gz OTKWZBJESRYDLG-BPUTZDHNSA-N 2 0 350.488 0.548 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246521416 857583576 /nfs/dbraw/zinc/58/35/76/857583576.db2.gz VGSWBEIESCVKLA-MPGHIAIKSA-N 2 0 354.495 0.380 20 0 FCADRP O=C([C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[NH2+]1)N1CCSC1 ZINC001246657957 857587901 /nfs/dbraw/zinc/58/79/01/857587901.db2.gz RTYRHXVGIMKGCA-MNXVOIDGSA-N 2 0 364.437 0.334 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726309 857593792 /nfs/dbraw/zinc/59/37/92/857593792.db2.gz CUXBVYFVMRKFPT-DLBZAZTESA-N 3 0 351.539 0.297 20 0 FCADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737613 857596053 /nfs/dbraw/zinc/59/60/53/857596053.db2.gz DWJKOECDNUMXBH-ZKXLYKBJSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745370 857596913 /nfs/dbraw/zinc/59/69/13/857596913.db2.gz HGTQCYZLJOYIEI-MTNOOBJLSA-N 2 0 351.491 0.999 20 0 FCADRP COCCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246805809 857601017 /nfs/dbraw/zinc/60/10/17/857601017.db2.gz DUIKMTHVNBGVNG-PMPSAXMXSA-N 2 0 356.536 0.340 20 0 FCADRP O=C([C@@H]1C[C@H](N2CCC(C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246797634 857601063 /nfs/dbraw/zinc/60/10/63/857601063.db2.gz UXRRWXFBINHMKL-IRXDYDNUSA-N 2 0 352.548 0.961 20 0 FCADRP [NH3+][C@H]1C[C@@H](C(F)(F)F)CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246827377 857601801 /nfs/dbraw/zinc/60/18/01/857601801.db2.gz KKOIVKJUNJLMPU-KXNHARMFSA-N 2 0 352.426 0.461 20 0 FCADRP CC1(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC[NH2+]CC1 ZINC001246808475 857602062 /nfs/dbraw/zinc/60/20/62/857602062.db2.gz BPSFCEVARSCJOO-CVEARBPZSA-N 2 0 367.563 0.010 20 0 FCADRP Brc1cnc(O[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807502 857602132 /nfs/dbraw/zinc/60/21/32/857602132.db2.gz KKXOHXJKAPXLQW-QWHCGFSZSA-N 2 0 368.279 0.786 20 0 FCADRP CCOC(=O)[C@]12C[N@@H+](C3CCC(S(C)(=O)=O)CC3)C[C@H]1C[NH2+]CC2 ZINC001246855606 857603070 /nfs/dbraw/zinc/60/30/70/857603070.db2.gz PIPSBRDUDLXJES-ARAOSMHQSA-N 2 0 358.504 0.817 20 0 FCADRP COCCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246836178 857603170 /nfs/dbraw/zinc/60/31/70/857603170.db2.gz LYIDQUMWWHWACP-HOTGVXAUSA-N 2 0 356.536 0.340 20 0 FCADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855913 857603449 /nfs/dbraw/zinc/60/34/49/857603449.db2.gz QXGAUBZEFMKGDC-BASYENTBSA-N 2 0 354.447 0.572 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@H]2c2cccs2)C[NH2+]1)N1CCSC1 ZINC001246883247 857605572 /nfs/dbraw/zinc/60/55/72/857605572.db2.gz DIGWHWMQYJFQCE-IHRRRGAJSA-N 2 0 352.529 0.958 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2c2cccs2)C[NH2+]1)N1CCSC1 ZINC001246883253 857605599 /nfs/dbraw/zinc/60/55/99/857605599.db2.gz DIGWHWMQYJFQCE-RDBSUJKOSA-N 2 0 352.529 0.958 20 0 FCADRP [NH3+][C@@H]1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1C(F)(F)F ZINC001246936512 857606244 /nfs/dbraw/zinc/60/62/44/857606244.db2.gz LFXAWBDRFFODMF-KXNHARMFSA-N 2 0 352.426 0.461 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CCN1 ZINC001247004952 857608868 /nfs/dbraw/zinc/60/88/68/857608868.db2.gz DWAQCMXNBRETQN-KKUMJFAQSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CN1 ZINC001246995289 857609013 /nfs/dbraw/zinc/60/90/13/857609013.db2.gz STJHCOZUOSOIPF-ROUUACIJSA-N 2 0 352.523 0.818 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001249834581 857651260 /nfs/dbraw/zinc/65/12/60/857651260.db2.gz NFLFDBBXOPNLOE-UHFFFAOYSA-N 2 0 350.536 0.773 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251402094 857722309 /nfs/dbraw/zinc/72/23/09/857722309.db2.gz MDZXCIIQQWHMQH-SFHVURJKSA-N 2 0 358.527 0.784 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)COCC(F)(F)C(F)F ZINC001251569400 857731165 /nfs/dbraw/zinc/73/11/65/857731165.db2.gz GVTLZZOFKYUICW-MELADBBJSA-N 2 0 371.419 0.975 20 0 FCADRP CC(C)(C)OC(=O)N1CCC(N2CCC([NH2+]C[C@H](O)CO)CC2)CC1 ZINC001252069266 857782986 /nfs/dbraw/zinc/78/29/86/857782986.db2.gz NIDLQJSLWCSQHC-INIZCTEOSA-N 2 0 357.495 0.793 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253145774 857864911 /nfs/dbraw/zinc/86/49/11/857864911.db2.gz NOJHORYXLQJCAR-SFHVURJKSA-N 2 0 351.491 0.140 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001253187523 857870341 /nfs/dbraw/zinc/87/03/41/857870341.db2.gz YKVRKSPLDMQRIA-ZHALLVOQSA-N 2 0 353.507 0.696 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H](O)C(C)(C)C)CC2 ZINC001253722610 857907992 /nfs/dbraw/zinc/90/79/92/857907992.db2.gz AEJSFQAMTYVHKD-MRXNPFEDSA-N 2 0 354.539 0.564 20 0 FCADRP CCOC(=O)CN1CCC([N@H+](CCC[NH+](C)C)CCC(=O)OC)CC1 ZINC001254408918 857970284 /nfs/dbraw/zinc/97/02/84/857970284.db2.gz OHHIJKPJPDYIHT-UHFFFAOYSA-N 2 0 357.495 0.831 20 0 FCADRP C[N@@H+]1CCC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001254517225 857976063 /nfs/dbraw/zinc/97/60/63/857976063.db2.gz GDTYFJFDBYXAFF-CQSZACIVSA-N 2 0 355.508 0.275 20 0 FCADRP O=S1(=O)CCN(c2cc[nH+]c(CN[C@@H]3CC4CC[NH+](CC4)C3)c2)CC1 ZINC001254847808 857987736 /nfs/dbraw/zinc/98/77/36/857987736.db2.gz JASIBFIXQSFVNA-QGZVFWFLSA-N 2 0 364.515 0.890 20 0 FCADRP CN1CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001255488320 858014397 /nfs/dbraw/zinc/01/43/97/858014397.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 2 0 351.539 0.251 20 0 FCADRP O=C(NCC(F)(F)F)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001279614815 862980754 /nfs/dbraw/zinc/98/07/54/862980754.db2.gz FIYUGKHXSLHOMN-STQMWFEESA-N 2 0 350.385 0.643 20 0 FCADRP C[NH+](C)CCN1CC2(C1)CC[NH+](CC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001279616749 862982187 /nfs/dbraw/zinc/98/21/87/862982187.db2.gz PYBWQSOLRAFXTB-UHFFFAOYSA-N 2 0 372.579 0.617 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCOC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279618382 862984021 /nfs/dbraw/zinc/98/40/21/862984021.db2.gz WHNBUSLQCBHVQC-PKOBYXMFSA-N 2 0 352.523 0.631 20 0 FCADRP C[NH+](C)CCN1CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCC1=O ZINC001256696033 858096639 /nfs/dbraw/zinc/09/66/39/858096639.db2.gz UPGNWCRIKCRZEZ-UHFFFAOYSA-N 3 0 352.523 0.726 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257742538 858159172 /nfs/dbraw/zinc/15/91/72/858159172.db2.gz CMQHZNPLNSYLDE-BZUAXINKSA-N 2 0 355.479 0.297 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CCC2(COC2)CC1 ZINC001257901084 858162068 /nfs/dbraw/zinc/16/20/68/858162068.db2.gz VPGGDWRBJFNNFE-UHFFFAOYSA-N 2 0 360.495 0.560 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001263103726 859102927 /nfs/dbraw/zinc/10/29/27/859102927.db2.gz JSYNFHAHZAACER-YESZJQIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001263861792 859221706 /nfs/dbraw/zinc/22/17/06/859221706.db2.gz NFWDRFIUTNCQSW-KLHDSHLOSA-N 2 0 371.547 0.636 20 0 FCADRP CCN(CC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451133 859533139 /nfs/dbraw/zinc/53/31/39/859533139.db2.gz DVAUTDFUAHELAG-YNEHKIRRSA-N 2 0 366.428 0.832 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001270118174 859661413 /nfs/dbraw/zinc/66/14/13/859661413.db2.gz FWMWLFKXJNQZMS-UHFFFAOYSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489658 859770175 /nfs/dbraw/zinc/77/01/75/859770175.db2.gz IDHCUFDNLBAODA-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651463 859984975 /nfs/dbraw/zinc/98/49/75/859984975.db2.gz UIRFALRQMFVOAR-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CCC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001272642717 860216136 /nfs/dbraw/zinc/21/61/36/860216136.db2.gz PAAHRNXWEDPSHB-IAGOWNOFSA-N 2 0 360.449 0.381 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1=O ZINC001273191635 860405940 /nfs/dbraw/zinc/40/59/40/860405940.db2.gz HAXSKTZQNZGIFW-IYBDPMFKSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CC2(CN(C(=O)C3(NC(=O)OC(C)(C)C)CC[NH+](C)CC3)C2)C1 ZINC001273871205 860623172 /nfs/dbraw/zinc/62/31/72/860623172.db2.gz XGLLWEHZHGOZOR-UHFFFAOYSA-N 2 0 352.479 0.750 20 0 FCADRP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274204146 860706916 /nfs/dbraw/zinc/70/69/16/860706916.db2.gz RWSWDDIDOIIEPT-CALCHBBNSA-N 2 0 352.523 0.175 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCC3(CN(CC[NH+](C)C)C3)CC2)CC1 ZINC001274369618 860737834 /nfs/dbraw/zinc/73/78/34/860737834.db2.gz JMIPNXIFEZTFQT-UHFFFAOYSA-N 2 0 351.539 0.110 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)C3([NH+](C)C)CC3)C2)C1 ZINC001274953986 860880736 /nfs/dbraw/zinc/88/07/36/860880736.db2.gz WPNRQGLEZSTGLN-SFHVURJKSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCC1CCOCC1)C2 ZINC001275140773 860946194 /nfs/dbraw/zinc/94/61/94/860946194.db2.gz MHROLGPFGRADMX-LJQANCHMSA-N 2 0 353.507 0.916 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCC1CCOCC1)C2 ZINC001275140772 860946222 /nfs/dbraw/zinc/94/62/22/860946222.db2.gz MHROLGPFGRADMX-IBGZPJMESA-N 2 0 353.507 0.916 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1 ZINC001275225968 860992741 /nfs/dbraw/zinc/99/27/41/860992741.db2.gz IIBLWJYQZUSRQF-SCTDSRPQSA-N 2 0 352.523 0.582 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507464 861114863 /nfs/dbraw/zinc/11/48/63/861114863.db2.gz CFUCKEULUDPUQF-KSSFIOAISA-N 2 0 354.495 0.141 20 0 FCADRP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556645 861127682 /nfs/dbraw/zinc/12/76/82/861127682.db2.gz NGUKEXAZVYGUCQ-HNAYVOBHSA-N 2 0 351.491 0.857 20 0 FCADRP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556646 861127886 /nfs/dbraw/zinc/12/78/86/861127886.db2.gz NGUKEXAZVYGUCQ-KXBFYZLASA-N 2 0 351.491 0.857 20 0 FCADRP COC(CN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275556435 861127946 /nfs/dbraw/zinc/12/79/46/861127946.db2.gz KTWPPNPSEXUYRZ-GOSISDBHSA-N 2 0 355.479 0.250 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736799 861180524 /nfs/dbraw/zinc/18/05/24/861180524.db2.gz HIFIZCXALWLKHF-QFBILLFUSA-N 2 0 350.507 0.955 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743668 861187653 /nfs/dbraw/zinc/18/76/53/861187653.db2.gz UKMHUHYIYMAKLV-QFBILLFUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001280136107 863287353 /nfs/dbraw/zinc/28/73/53/863287353.db2.gz BHMYODMPTNXVKP-NSHDSACASA-N 2 0 356.421 0.519 20 0 FCADRP C[C@H]1CN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)C[C@H](C)O1 ZINC001280138531 863288648 /nfs/dbraw/zinc/28/86/48/863288648.db2.gz ZVRSWGDMOJHCAX-DARAHFNDSA-N 2 0 350.463 0.308 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@@H]2C1 ZINC001280187702 863316830 /nfs/dbraw/zinc/31/68/30/863316830.db2.gz KUJFFRXPAQMPEV-HZPDHXFCSA-N 2 0 352.523 0.079 20 0 FCADRP Cc1ncsc1C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@H]2C1 ZINC001280188655 863318006 /nfs/dbraw/zinc/31/80/06/863318006.db2.gz IOKYXEPMYNIGTR-SNPRPXQTSA-N 2 0 364.515 0.845 20 0 FCADRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280246367 863358625 /nfs/dbraw/zinc/35/86/25/863358625.db2.gz WHIPKGRJMUSDAW-UHFFFAOYSA-N 3 0 351.583 0.973 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001280256155 863361822 /nfs/dbraw/zinc/36/18/22/863361822.db2.gz ATJCRFKXNXOAKZ-UXDQUXDASA-N 2 0 350.507 0.537 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001281961726 864003656 /nfs/dbraw/zinc/00/36/56/864003656.db2.gz QWCMJANRGQSOLZ-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001282053874 864047003 /nfs/dbraw/zinc/04/70/03/864047003.db2.gz GOIODZZLCZICQR-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001288981329 864838282 /nfs/dbraw/zinc/83/82/82/864838282.db2.gz YQLJSBVZDITVKW-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001289847348 865295592 /nfs/dbraw/zinc/29/55/92/865295592.db2.gz XPTKNSWFLCNIFS-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C/C(=C\C(=O)NC[C@H](C1CC1)[NH+](C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001350978853 866747728 /nfs/dbraw/zinc/74/77/28/866747728.db2.gz BVIMYBSZSFMSLP-WCEBEWAISA-N 2 0 350.507 0.846 20 0 FCADRP C[C@H]1C[C@H](CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001309759242 866884533 /nfs/dbraw/zinc/88/45/33/866884533.db2.gz ZIDUMPPGMCYPFM-YLFCFFPRSA-N 2 0 361.552 0.803 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[S@](=O)CC(F)(F)F ZINC001312995625 867223282 /nfs/dbraw/zinc/22/32/82/867223282.db2.gz MFMCUINYRXWUGP-QHCPKHFHSA-N 2 0 360.446 0.432 20 0 FCADRP C[C@@]1(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CCC[NH2+]C1 ZINC001352789016 867255173 /nfs/dbraw/zinc/25/51/73/867255173.db2.gz UCSVVXJSUFDYLZ-LJQANCHMSA-N 2 0 350.507 0.812 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001353109966 867351237 /nfs/dbraw/zinc/35/12/37/867351237.db2.gz NYKOEXFKNSPLTF-CYBMUJFWSA-N 2 0 358.433 0.564 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC001353331266 867397853 /nfs/dbraw/zinc/39/78/53/867397853.db2.gz YLLFDECTYXIZBZ-ZACQAIPSSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001353334635 867399428 /nfs/dbraw/zinc/39/94/28/867399428.db2.gz IYVULPBCCAYUOT-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001353334633 867399614 /nfs/dbraw/zinc/39/96/14/867399614.db2.gz IYVULPBCCAYUOT-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP [NH3+]CCNCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001353591741 867453498 /nfs/dbraw/zinc/45/34/98/867453498.db2.gz SNUIUFGEHSWDHG-UHFFFAOYSA-N 2 0 353.898 0.517 20 0 FCADRP CCC[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1CCOC ZINC001354157349 867556515 /nfs/dbraw/zinc/55/65/15/867556515.db2.gz BNKJQTHMTXXJAZ-CVEARBPZSA-N 2 0 354.495 0.143 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001354312933 867580032 /nfs/dbraw/zinc/58/00/32/867580032.db2.gz FYHUEHWKTGEZHP-XHSDSOJGSA-N 2 0 351.499 0.703 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC001318696750 867728950 /nfs/dbraw/zinc/72/89/50/867728950.db2.gz SWSGLYSPPXYINP-FPCVCCKLSA-N 2 0 354.495 0.201 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CSCC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001319950021 868043653 /nfs/dbraw/zinc/04/36/53/868043653.db2.gz FEUVQLYSAXXAPF-HOTGVXAUSA-N 2 0 370.563 0.540 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558891 868132101 /nfs/dbraw/zinc/13/21/01/868132101.db2.gz ARXHNPWIPVBEIK-CVEARBPZSA-N 2 0 354.495 0.291 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001357668148 868144680 /nfs/dbraw/zinc/14/46/80/868144680.db2.gz LCEQSQMZZKKFBM-CYBMUJFWSA-N 2 0 365.444 0.854 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001357896530 868160910 /nfs/dbraw/zinc/16/09/10/868160910.db2.gz DMQGODJTMVQNNK-MRXNPFEDSA-N 2 0 359.536 0.732 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001320982799 868335993 /nfs/dbraw/zinc/33/59/93/868335993.db2.gz UDPRUWDDGRQCNI-UHFFFAOYSA-N 2 0 351.495 0.419 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC001322227614 868769871 /nfs/dbraw/zinc/76/98/71/868769871.db2.gz QNFLLCUYIHQLND-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519837 868841574 /nfs/dbraw/zinc/84/15/74/868841574.db2.gz HUBALMSRBLUZGF-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323856575 869387689 /nfs/dbraw/zinc/38/76/89/869387689.db2.gz BWIUWRLEKKGVTC-GPMSIDNRSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC001325137390 869791148 /nfs/dbraw/zinc/79/11/48/869791148.db2.gz RAVILBVFZPLGMR-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001325740528 870012983 /nfs/dbraw/zinc/01/29/83/870012983.db2.gz LBFBMGLHHIOLMO-BPKGMFCQSA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001343522966 870469078 /nfs/dbraw/zinc/46/90/78/870469078.db2.gz JBPIHJAPBRELSW-CYBMUJFWSA-N 2 0 350.467 0.950 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)C[NH2+]CC2 ZINC001326781255 870496066 /nfs/dbraw/zinc/49/60/66/870496066.db2.gz ROOCSELPNMCANL-OAHLLOKOSA-N 2 0 356.392 0.898 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)C[NH2+]CC2 ZINC001326781252 870497097 /nfs/dbraw/zinc/49/70/97/870497097.db2.gz ROOCSELPNMCANL-HNNXBMFYSA-N 2 0 356.392 0.898 20 0 FCADRP C[C@@H]1CN(C(=O)NCCN2CCC3(C2)OCCO3)CC[N@@H+](C2CC2)C1 ZINC001346553835 871900036 /nfs/dbraw/zinc/90/00/36/871900036.db2.gz LWHJAMOHEUCBTL-HNNXBMFYSA-N 2 0 352.479 0.561 20 0 FCADRP CC(C)(C)[NH2+]CC(=O)NCCN1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001329311023 871947755 /nfs/dbraw/zinc/94/77/55/871947755.db2.gz HDVCVHXHOYJZCY-UHFFFAOYSA-N 2 0 355.527 0.023 20 0 FCADRP C[NH+](C)C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704047 871967711 /nfs/dbraw/zinc/96/77/11/871967711.db2.gz WQKFNBBDQCIPMV-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001329379108 871988374 /nfs/dbraw/zinc/98/83/74/871988374.db2.gz QTHFQVGIYAGVQI-JQWIXIFHSA-N 2 0 358.430 0.374 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC001347058196 872138458 /nfs/dbraw/zinc/13/84/58/872138458.db2.gz IGMQITAXARDOOF-WMLDXEAASA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001329744061 872222892 /nfs/dbraw/zinc/22/28/92/872222892.db2.gz CHQJLJPTUNYUPM-ALKREAHSSA-N 2 0 350.507 0.763 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001348575054 872728777 /nfs/dbraw/zinc/72/87/77/872728777.db2.gz UXHOHKHDAISNIC-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663068 872756977 /nfs/dbraw/zinc/75/69/77/872756977.db2.gz GPEJFTFCBJFQIF-CVEARBPZSA-N 2 0 355.527 0.109 20 0 FCADRP C[NH+](C)CC1CN(C(=O)CCSCCC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC001330851972 872845468 /nfs/dbraw/zinc/84/54/68/872845468.db2.gz XRDHUFWLGWCYRR-UHFFFAOYSA-N 2 0 370.563 0.540 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001331020412 872917258 /nfs/dbraw/zinc/91/72/58/872917258.db2.gz DBAJLWJEZLKTIH-CQSZACIVSA-N 2 0 366.487 0.286 20 0 FCADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H]1C ZINC001331906722 873299279 /nfs/dbraw/zinc/29/92/79/873299279.db2.gz VYQWBCUXIHNWHW-ULQDDVLXSA-N 2 0 353.511 0.175 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001331968227 873318366 /nfs/dbraw/zinc/31/83/66/873318366.db2.gz FRUUSHJCTWHIME-INIZCTEOSA-N 2 0 353.488 0.661 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC001332109995 873379140 /nfs/dbraw/zinc/37/91/40/873379140.db2.gz DXBMZYNOWRGPLL-CQSZACIVSA-N 2 0 353.417 0.808 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332685 873460224 /nfs/dbraw/zinc/46/02/24/873460224.db2.gz SNBAOXIKCLOLFB-TWMKSMIVSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001332568733 873561417 /nfs/dbraw/zinc/56/14/17/873561417.db2.gz ONUCDWAIOUZSMD-RBUKOAKNSA-N 2 0 355.523 0.379 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001333161821 873829814 /nfs/dbraw/zinc/82/98/14/873829814.db2.gz SWNONFJODDUINA-QGZVFWFLSA-N 2 0 353.511 0.175 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001333449616 873962215 /nfs/dbraw/zinc/96/22/15/873962215.db2.gz YRFGSBDMSOTGCS-ZACQAIPSSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001333449615 873962765 /nfs/dbraw/zinc/96/27/65/873962765.db2.gz YRFGSBDMSOTGCS-YESZJQIVSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574925489 948972989 /nfs/dbraw/zinc/97/29/89/948972989.db2.gz AMFATSQKSSAMCD-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574925854 948980164 /nfs/dbraw/zinc/98/01/64/948980164.db2.gz FKYVOTWZHNYBEB-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574926162 948988572 /nfs/dbraw/zinc/98/85/72/948988572.db2.gz JRIFJENWIIYPDB-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575252392 949164046 /nfs/dbraw/zinc/16/40/46/949164046.db2.gz GCECEPTYHUBRHI-RYUDHWBXSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704254 949377649 /nfs/dbraw/zinc/37/76/49/949377649.db2.gz BMKOKPBAGWYGNO-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574722705 949840443 /nfs/dbraw/zinc/84/04/43/949840443.db2.gz VRFDGBVNXMJVLO-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283684 949882594 /nfs/dbraw/zinc/88/25/94/949882594.db2.gz GRRWZHIMYYFKOF-QWHCGFSZSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196460 950367716 /nfs/dbraw/zinc/36/77/16/950367716.db2.gz FAHOEVJSRVCRJY-KGLIPLIRSA-N 2 0 370.461 0.286 20 0 FCADRP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909607 950403858 /nfs/dbraw/zinc/40/38/58/950403858.db2.gz ZOKPAGBOKUCAGR-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576199188 950417110 /nfs/dbraw/zinc/41/71/10/950417110.db2.gz XCFVKFZXSZSMFD-AWEZNQCLSA-N 2 0 372.477 0.888 20 0 FCADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204762 950472010 /nfs/dbraw/zinc/47/20/10/950472010.db2.gz BYUAGJIQCVEQQX-CJNGLKHVSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214570 950673979 /nfs/dbraw/zinc/67/39/79/950673979.db2.gz QBMWWLPXJOYAQE-JQFCIGGWSA-N 2 0 369.473 0.945 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570994466 950961888 /nfs/dbraw/zinc/96/18/88/950961888.db2.gz QJNKMUWBYJIIMP-WFASDCNBSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574774061 951003887 /nfs/dbraw/zinc/00/38/87/951003887.db2.gz BTDPFJPLOOGBDW-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571004843 951160214 /nfs/dbraw/zinc/16/02/14/951160214.db2.gz SAJLZBUQSLRUHQ-VXGBXAGGSA-N 2 0 361.475 0.570 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575100154 951841045 /nfs/dbraw/zinc/84/10/45/951841045.db2.gz RCEKUSSIFOVIME-RYUDHWBXSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101266 951855891 /nfs/dbraw/zinc/85/58/91/951855891.db2.gz BICBXZVKIONZDJ-LBPRGKRZSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[NH+](C)C ZINC001575106552 951905474 /nfs/dbraw/zinc/90/54/74/951905474.db2.gz SATWQFNFQYLKLO-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001571062734 951956454 /nfs/dbraw/zinc/95/64/54/951956454.db2.gz BEFLZGZQQFTVDU-IRXDYDNUSA-N 2 0 369.473 0.851 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077953 952123624 /nfs/dbraw/zinc/12/36/24/952123624.db2.gz JTIQBQVBTSYRIM-AWEZNQCLSA-N 2 0 370.461 0.348 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078426 952129347 /nfs/dbraw/zinc/12/93/47/952129347.db2.gz QCSFAWPDZVQBHC-HIFRSBDPSA-N 2 0 370.461 0.607 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575146450 952193844 /nfs/dbraw/zinc/19/38/44/952193844.db2.gz LEYAYPWTXZUXQC-QWHCGFSZSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571103630 952356653 /nfs/dbraw/zinc/35/66/53/952356653.db2.gz MZQGGBAJAAKQMA-CJNGLKHVSA-N 2 0 372.477 0.593 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105217 952391328 /nfs/dbraw/zinc/39/13/28/952391328.db2.gz KEABLVIRZITION-CJNGLKHVSA-N 2 0 373.436 0.791 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)cn2ccnc12 ZINC000294122409 214224472 /nfs/dbraw/zinc/22/44/72/214224472.db2.gz PBJXLTQZHGZXMP-UHFFFAOYSA-N 2 0 371.441 0.904 20 0 FCADRP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)C1 ZINC000410779410 529799253 /nfs/dbraw/zinc/79/92/53/529799253.db2.gz JTSAZAYRLMAKAI-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1)C1CC1 ZINC000265389801 210117106 /nfs/dbraw/zinc/11/71/06/210117106.db2.gz LKENKDNDWSBTIW-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000331552717 215014778 /nfs/dbraw/zinc/01/47/78/215014778.db2.gz WZEKXZSBPLUTPH-WSMBLCCSSA-N 2 0 354.520 0.126 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331684053 215034247 /nfs/dbraw/zinc/03/42/47/215034247.db2.gz SAQXMOKBENBOOF-GBJTYRQASA-N 2 0 352.479 0.158 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000331697263 215036964 /nfs/dbraw/zinc/03/69/64/215036964.db2.gz WXFZZZLGLCRJFS-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])C2)CC1 ZINC000331756884 215043660 /nfs/dbraw/zinc/04/36/60/215043660.db2.gz CICHGKIKVGLIFY-SJORKVTESA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000331797947 215048646 /nfs/dbraw/zinc/04/86/46/215048646.db2.gz LSFIGPBULVUKFZ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)CC1 ZINC000331794187 215047023 /nfs/dbraw/zinc/04/70/23/215047023.db2.gz OQJLLTBGBJYGDI-DLBZAZTESA-N 2 0 350.507 0.764 20 0 FCADRP O=C(NCCCN1CCOCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265128489 210060986 /nfs/dbraw/zinc/06/09/86/210060986.db2.gz XWIZJKXHAPKEJA-UHFFFAOYSA-N 2 0 358.402 0.044 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000331859589 215058684 /nfs/dbraw/zinc/05/86/84/215058684.db2.gz FRBWVXIBDYROOA-GOSISDBHSA-N 2 0 353.507 0.935 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000331999916 215077770 /nfs/dbraw/zinc/07/77/70/215077770.db2.gz BOJKFZRQICKRHR-RRFJBIMHSA-N 2 0 352.479 0.084 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332130891 215099516 /nfs/dbraw/zinc/09/95/16/215099516.db2.gz DTZYUGZRIYDBDV-BBWFWOEESA-N 2 0 350.507 0.763 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1C ZINC000332256072 215117357 /nfs/dbraw/zinc/11/73/57/215117357.db2.gz CSKDWMQYLUFIQJ-XAJHFOFHSA-N 2 0 350.507 0.903 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C[NH3+] ZINC000332446627 215154220 /nfs/dbraw/zinc/15/42/20/215154220.db2.gz DXQUUPRBHPSDCY-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332511418 215164525 /nfs/dbraw/zinc/16/45/25/215164525.db2.gz DTWJNMJZDXVLRX-DOTOQJQBSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000332531080 215170666 /nfs/dbraw/zinc/17/06/66/215170666.db2.gz QHDFXGITEZGWLD-ARFHVFGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000332537928 215173900 /nfs/dbraw/zinc/17/39/00/215173900.db2.gz VIHSHPWRWZCPKJ-HRCADAONSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000332552726 215178035 /nfs/dbraw/zinc/17/80/35/215178035.db2.gz QGIUFXSWQIFFHQ-ARFHVFGLSA-N 2 0 366.506 0.141 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000332704076 215206194 /nfs/dbraw/zinc/20/61/94/215206194.db2.gz XRAWEXPQZMYSOE-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000333006800 215223398 /nfs/dbraw/zinc/22/33/98/215223398.db2.gz OWEJRIREAKATRQ-TVFCKZIOSA-N 2 0 368.522 0.848 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000333144745 215242248 /nfs/dbraw/zinc/24/22/48/215242248.db2.gz ZKNLGOYKEDLQJY-CVEARBPZSA-N 2 0 355.527 0.109 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000333167878 215245485 /nfs/dbraw/zinc/24/54/85/215245485.db2.gz HRDUXSZDMDONOL-MRXNPFEDSA-N 2 0 354.495 0.638 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCN(c3cnccn3)CC2)CC1 ZINC000333199043 215249214 /nfs/dbraw/zinc/24/92/14/215249214.db2.gz YFIZQHDYGPRNML-UHFFFAOYSA-N 2 0 360.506 0.978 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@@H]21 ZINC000333258750 215256017 /nfs/dbraw/zinc/25/60/17/215256017.db2.gz DOSBWVNNXMWMDM-HOCLYGCPSA-N 2 0 359.478 0.834 20 0 FCADRP C[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CC(C)(C)O ZINC000333282121 215259064 /nfs/dbraw/zinc/25/90/64/215259064.db2.gz PPSNVYZJOQTAFK-WMLDXEAASA-N 2 0 358.552 0.910 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCSC1 ZINC000333393016 215275344 /nfs/dbraw/zinc/27/53/44/215275344.db2.gz PAHHPSAWVHLOPF-LEOMRAHMSA-N 2 0 369.579 0.939 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333499465 215290284 /nfs/dbraw/zinc/29/02/84/215290284.db2.gz FFSTTXHBSFSKDI-UKRRQHHQSA-N 2 0 363.428 0.608 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333546672 215296684 /nfs/dbraw/zinc/29/66/84/215296684.db2.gz OQUGYWWLFCSSOW-BBWFWOEESA-N 2 0 353.511 0.175 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000333676008 215307667 /nfs/dbraw/zinc/30/76/67/215307667.db2.gz NYEPDMCTIVRBEK-IHRRRGAJSA-N 2 0 365.444 0.947 20 0 FCADRP COCC1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC[NH2+]CC1 ZINC000333673276 215308174 /nfs/dbraw/zinc/30/81/74/215308174.db2.gz NNKQSQGGORYMSG-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333736720 215315080 /nfs/dbraw/zinc/31/50/80/215315080.db2.gz QPTMPZXCGCIOGG-SJORKVTESA-N 2 0 354.495 0.386 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C1 ZINC000333791937 215320278 /nfs/dbraw/zinc/32/02/78/215320278.db2.gz MOCMEQFWMIOLJA-KRWDZBQOSA-N 2 0 353.511 0.175 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333865216 215325706 /nfs/dbraw/zinc/32/57/06/215325706.db2.gz SUHGYCPBFRHSRS-KYJSFNMBSA-N 2 0 365.522 0.759 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333871748 215327880 /nfs/dbraw/zinc/32/78/80/215327880.db2.gz BVBHKTGXGHBNNK-GVDBMIGSSA-N 2 0 365.522 0.570 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333952108 215333039 /nfs/dbraw/zinc/33/30/39/215333039.db2.gz ZQXLNQQBFASRFE-RDBSUJKOSA-N 2 0 363.428 0.749 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333945493 215333162 /nfs/dbraw/zinc/33/31/62/215333162.db2.gz SXLRMVJYKSYUTM-BZUAXINKSA-N 2 0 351.495 0.370 20 0 FCADRP O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1CCN(C2CCC2)CC1 ZINC000285793124 213396336 /nfs/dbraw/zinc/39/63/36/213396336.db2.gz XPHMBHRPYAELBR-UHFFFAOYSA-N 2 0 371.485 0.995 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000361106787 215379891 /nfs/dbraw/zinc/37/98/91/215379891.db2.gz OWGUWBATHZBYGU-FGTMMUONSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCc1nccn1C)N1CCc2sccc2C1 ZINC000285272143 213315275 /nfs/dbraw/zinc/31/52/75/213315275.db2.gz PTPPURVUQFCBRE-GFCCVEGCSA-N 2 0 361.471 0.661 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285218875 213305396 /nfs/dbraw/zinc/30/53/96/213305396.db2.gz RPCCEBFPDTVYIH-FHWLQOOXSA-N 2 0 372.513 0.828 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000930958697 674081935 /nfs/dbraw/zinc/08/19/35/674081935.db2.gz XSPWUHUDPZJGOK-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000285078118 213280019 /nfs/dbraw/zinc/28/00/19/213280019.db2.gz PGCJUCSKSABECQ-WBVHZDCISA-N 2 0 358.486 0.976 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000285042175 213272972 /nfs/dbraw/zinc/27/29/72/213272972.db2.gz NTJLXQPADKHBPN-QGZVFWFLSA-N 2 0 362.474 0.072 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285022731 213267621 /nfs/dbraw/zinc/26/76/21/213267621.db2.gz MWPNAJFZJAOHDP-UHFFFAOYSA-N 2 0 364.490 0.271 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000284892312 213243105 /nfs/dbraw/zinc/24/31/05/213243105.db2.gz LWCZIRZXZMCWQH-SFHVURJKSA-N 2 0 373.501 0.715 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000284882662 213241019 /nfs/dbraw/zinc/24/10/19/213241019.db2.gz LIPLVZXIMUROOZ-UHFFFAOYSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000284430319 213138194 /nfs/dbraw/zinc/13/81/94/213138194.db2.gz KWMYUOMPDGIMJM-OAHLLOKOSA-N 2 0 364.490 0.700 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000284320898 213110288 /nfs/dbraw/zinc/11/02/88/213110288.db2.gz WJSIFOOCWAWUQY-UHFFFAOYSA-N 2 0 368.478 0.254 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284106570 213074703 /nfs/dbraw/zinc/07/47/03/213074703.db2.gz UQGIGGPNUIIFOM-UHFFFAOYSA-N 2 0 362.474 0.913 20 0 FCADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000366881530 216046101 /nfs/dbraw/zinc/04/61/01/216046101.db2.gz JPJTWWKAMLEYIX-UHFFFAOYSA-N 2 0 372.517 0.933 20 0 FCADRP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@H](CC(N)=O)C3)CC2)c1 ZINC000367987934 216189133 /nfs/dbraw/zinc/18/91/33/216189133.db2.gz IBWYBGUXJFRIGG-GOSISDBHSA-N 2 0 358.486 0.837 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368188353 216214053 /nfs/dbraw/zinc/21/40/53/216214053.db2.gz CFELCPYYIRKBMR-SJORKVTESA-N 2 0 355.527 0.375 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000246534059 209390455 /nfs/dbraw/zinc/39/04/55/209390455.db2.gz WWYUECQBMLDLPH-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC)CC1=O ZINC000246479899 209390040 /nfs/dbraw/zinc/39/00/40/209390040.db2.gz RMJQXJFLIUROLR-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[NH2+]CCO1 ZINC000237863015 209359906 /nfs/dbraw/zinc/35/99/06/209359906.db2.gz PDAYKZVRQQKOGO-QGZVFWFLSA-N 2 0 366.893 0.957 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229515 /nfs/dbraw/zinc/22/95/15/216229515.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 0 354.495 0.648 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368576532 216266681 /nfs/dbraw/zinc/26/66/81/216266681.db2.gz JOWQMZMHMLKCRF-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369344300 216387884 /nfs/dbraw/zinc/38/78/84/216387884.db2.gz PMOUNMZSFZRSKE-XWTMOSNGSA-N 2 0 352.523 0.770 20 0 FCADRP C[NH+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000190232863 209269970 /nfs/dbraw/zinc/26/99/70/209269970.db2.gz GJCKBNQHLCJBDJ-UHFFFAOYSA-N 2 0 373.501 0.931 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407901 216399175 /nfs/dbraw/zinc/39/91/75/216399175.db2.gz NSXZGZYNLFDCOI-HOCLYGCPSA-N 2 0 351.495 0.463 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188756625 209238869 /nfs/dbraw/zinc/23/88/69/209238869.db2.gz BPTZNFXKYUXJRB-UHFFFAOYSA-N 2 0 369.469 0.942 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188586044 209233020 /nfs/dbraw/zinc/23/30/20/209233020.db2.gz IPSHJWZAPILTBE-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP CN(CC(=O)N1CCN(C)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188305805 209227793 /nfs/dbraw/zinc/22/77/93/209227793.db2.gz AOHFWRDIXBLYER-HXUWFJFHSA-N 2 0 360.502 0.329 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187191838 209205813 /nfs/dbraw/zinc/20/58/13/209205813.db2.gz PXNYFQOBBIHVQO-MRXNPFEDSA-N 2 0 354.495 0.509 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@@H+]2CCCOCC2)ccn1 ZINC000275686540 212072654 /nfs/dbraw/zinc/07/26/54/212072654.db2.gz VFOSGUJGLLMZEQ-UHFFFAOYSA-N 2 0 365.478 0.544 20 0 FCADRP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481680 674116971 /nfs/dbraw/zinc/11/69/71/674116971.db2.gz RBMNZNJCVVLQGK-PTNGSMBKSA-N 2 0 371.503 0.355 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000414660870 245307681 /nfs/dbraw/zinc/30/76/81/245307681.db2.gz NVUCMDWMECKBSA-QGZVFWFLSA-N 2 0 362.474 0.818 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414675259 245309626 /nfs/dbraw/zinc/30/96/26/245309626.db2.gz FNAJPRSRXXGWJV-HUUCEWRRSA-N 2 0 362.474 0.960 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[NH+](C)C ZINC000414685533 245310108 /nfs/dbraw/zinc/31/01/08/245310108.db2.gz ZOCSGAMQHOTZLR-HOCLYGCPSA-N 2 0 361.490 0.929 20 0 FCADRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737728 245318914 /nfs/dbraw/zinc/31/89/14/245318914.db2.gz OIULVSIMLWYGER-GJZGRUSLSA-N 2 0 352.504 0.844 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CCN1C1CC[NH+](C)CC1 ZINC000415059454 245341809 /nfs/dbraw/zinc/34/18/09/245341809.db2.gz JGEAZHCGRUETDN-OAHLLOKOSA-N 2 0 373.501 0.711 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000414964584 245336889 /nfs/dbraw/zinc/33/68/89/245336889.db2.gz MLDXJCKCJSZFBK-WMLDXEAASA-N 2 0 360.458 0.905 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415336484 245390926 /nfs/dbraw/zinc/39/09/26/245390926.db2.gz WAHWJHWWDLMERT-INIZCTEOSA-N 2 0 362.499 0.695 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000415350452 245395412 /nfs/dbraw/zinc/39/54/12/245395412.db2.gz FTXOSULVUMFSMJ-HNNXBMFYSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076105 209157889 /nfs/dbraw/zinc/15/78/89/209157889.db2.gz LIMCNEXFEXBUOA-SJLPKXTDSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415358643 245397762 /nfs/dbraw/zinc/39/77/62/245397762.db2.gz IUASPTBLMZFBPG-UHFFFAOYSA-N 2 0 361.490 0.800 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[NH2+]C)CC1 ZINC000415360159 245397910 /nfs/dbraw/zinc/39/79/10/245397910.db2.gz LIJJWSHUHYNDQT-UHFFFAOYSA-N 2 0 367.881 0.756 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(C)c2)CC1 ZINC000415354064 245396681 /nfs/dbraw/zinc/39/66/81/245396681.db2.gz BIQKABAHWPYSIZ-HNNXBMFYSA-N 2 0 361.490 0.929 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000374753246 217167413 /nfs/dbraw/zinc/16/74/13/217167413.db2.gz ZBWLLJMBUQNJOH-HZPDHXFCSA-N 2 0 351.495 0.465 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000415595476 245442840 /nfs/dbraw/zinc/44/28/40/245442840.db2.gz HESCZNNEDSYIGP-QGZVFWFLSA-N 2 0 360.458 0.450 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1=O ZINC000374918552 217190355 /nfs/dbraw/zinc/19/03/55/217190355.db2.gz SJNCZQOETVMBIZ-BSDSXHPESA-N 2 0 362.518 0.872 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000375217450 217233685 /nfs/dbraw/zinc/23/36/85/217233685.db2.gz GIBYJBNAVPPNAK-INIZCTEOSA-N 2 0 353.511 0.129 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375239618 217238127 /nfs/dbraw/zinc/23/81/27/217238127.db2.gz VERYQOXGOVRRST-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000181612894 209118091 /nfs/dbraw/zinc/11/80/91/209118091.db2.gz NCJVTBRFHJJWAU-SFHVURJKSA-N 2 0 364.490 0.631 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417849185 245731664 /nfs/dbraw/zinc/73/16/64/245731664.db2.gz LHHZBFVIPYSQMF-MJBXVCDLSA-N 2 0 365.444 0.995 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000418559153 245798859 /nfs/dbraw/zinc/79/88/59/245798859.db2.gz PMDFBNBBWGHDKL-NJAFHUGGSA-N 2 0 361.490 0.344 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418962670 245930006 /nfs/dbraw/zinc/93/00/06/245930006.db2.gz LEXQWNJMDAKPJM-QGZVFWFLSA-N 2 0 374.485 0.646 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419000000 245938861 /nfs/dbraw/zinc/93/88/61/245938861.db2.gz JURKXXVJIUAYRR-RBUKOAKNSA-N 2 0 370.497 0.967 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419126698 246001165 /nfs/dbraw/zinc/00/11/65/246001165.db2.gz NRJCOHPOMJMMMA-BBWFWOEESA-N 2 0 367.538 0.008 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419128432 246003530 /nfs/dbraw/zinc/00/35/30/246003530.db2.gz WFRGFRNNDCPBFP-CVEARBPZSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129254 246004666 /nfs/dbraw/zinc/00/46/66/246004666.db2.gz XXMWIFSUIJDCDG-DLBZAZTESA-N 2 0 369.554 0.206 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419151151 246020850 /nfs/dbraw/zinc/02/08/50/246020850.db2.gz NFBKWTYTYMBLQX-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419159306 246023917 /nfs/dbraw/zinc/02/39/17/246023917.db2.gz XBIVJSNYWPTZDK-BBWFWOEESA-N 2 0 352.523 0.914 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419162023 246026191 /nfs/dbraw/zinc/02/61/91/246026191.db2.gz SVSDWCCQMNRFFG-RBSFLKMASA-N 2 0 354.495 0.452 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419135623 246009766 /nfs/dbraw/zinc/00/97/66/246009766.db2.gz NJPCSPKKNJCVDV-CYBMUJFWSA-N 2 0 352.504 0.787 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419140043 246012026 /nfs/dbraw/zinc/01/20/26/246012026.db2.gz VJLFSVZDPDPYQS-OAHLLOKOSA-N 2 0 364.515 0.945 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000419141827 246013712 /nfs/dbraw/zinc/01/37/12/246013712.db2.gz XKZZERTXMFAWIX-KRWDZBQOSA-N 2 0 374.485 0.583 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146535 246015170 /nfs/dbraw/zinc/01/51/70/246015170.db2.gz BGDMZUNESXOAIY-WMZOPIPTSA-N 2 0 360.502 0.639 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419171574 246032794 /nfs/dbraw/zinc/03/27/94/246032794.db2.gz PGDUSAGDPUQNFG-ROUUACIJSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419181128 246039152 /nfs/dbraw/zinc/03/91/52/246039152.db2.gz XXKPGFRDKKRAAU-BZUAXINKSA-N 2 0 373.501 0.932 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419162022 246026271 /nfs/dbraw/zinc/02/62/71/246026271.db2.gz SVSDWCCQMNRFFG-QLFBSQMISA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419223122 246060855 /nfs/dbraw/zinc/06/08/55/246060855.db2.gz CLCSPKCWMINDTM-OIISXLGYSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221873 246062148 /nfs/dbraw/zinc/06/21/48/246062148.db2.gz AWMUEZXXZWEKRR-KANFNMMFSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226544 246065614 /nfs/dbraw/zinc/06/56/14/246065614.db2.gz JEUZHPCFCJYTIR-YSHGAJCASA-N 2 0 370.497 0.834 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419229043 246066727 /nfs/dbraw/zinc/06/67/27/246066727.db2.gz NKGITDKDSVNDPQ-LZLYRXPVSA-N 2 0 360.502 0.985 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419199024 246047866 /nfs/dbraw/zinc/04/78/66/246047866.db2.gz DIVGMUVTTOLRRN-GOEBONIOSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419199606 246048395 /nfs/dbraw/zinc/04/83/95/246048395.db2.gz DTWRNWHQVMGWFS-HOCLYGCPSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000419204710 246052278 /nfs/dbraw/zinc/05/22/78/246052278.db2.gz JABYUAXENRLEER-HUUCEWRRSA-N 2 0 362.474 0.452 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419208014 246054662 /nfs/dbraw/zinc/05/46/62/246054662.db2.gz NQIDMTZBPZGVAI-NUJGCVRESA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419231766 246071401 /nfs/dbraw/zinc/07/14/01/246071401.db2.gz SFOQOORUBSNEGL-BHYGNILZSA-N 2 0 350.507 0.953 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419240222 246074032 /nfs/dbraw/zinc/07/40/32/246074032.db2.gz QYSONUHJHDJJMT-UKRRQHHQSA-N 2 0 354.495 0.596 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419247522 246076182 /nfs/dbraw/zinc/07/61/82/246076182.db2.gz NLTLDZUOIHUDMK-CIRFHOKZSA-N 2 0 358.486 0.737 20 0 FCADRP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)nc1 ZINC000419302999 246091862 /nfs/dbraw/zinc/09/18/62/246091862.db2.gz RBMQZRIPNVTUMQ-GJZGRUSLSA-N 2 0 359.474 0.684 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)[C@@H](C)C[NH2+]1 ZINC000419303877 246091077 /nfs/dbraw/zinc/09/10/77/246091077.db2.gz ISMVSCDPLPTMTE-GJZGRUSLSA-N 2 0 359.474 0.897 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419369755 246121343 /nfs/dbraw/zinc/12/13/43/246121343.db2.gz GAHYHLRDIPEQGI-GJZGRUSLSA-N 2 0 358.486 0.398 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419375437 246121757 /nfs/dbraw/zinc/12/17/57/246121757.db2.gz RMRJIRCKSKNEAJ-GVDBMIGSSA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419374815 246121910 /nfs/dbraw/zinc/12/19/10/246121910.db2.gz PIZMXPYJUHTSIY-MAUKXSAKSA-N 2 0 372.513 0.930 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373345 246122809 /nfs/dbraw/zinc/12/28/09/246122809.db2.gz MQJVOBJGWVJRIO-PBHICJAKSA-N 2 0 358.486 0.445 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccsc1 ZINC000419372878 246123113 /nfs/dbraw/zinc/12/31/13/246123113.db2.gz MWXCNVLJVPIQFW-GJZGRUSLSA-N 2 0 368.503 0.433 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419375806 246125325 /nfs/dbraw/zinc/12/53/25/246125325.db2.gz RGDORGRZXOPRRN-PBHICJAKSA-N 2 0 358.486 0.398 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000419360268 246116438 /nfs/dbraw/zinc/11/64/38/246116438.db2.gz SCNLAMFSIVWXGH-WBVHZDCISA-N 2 0 374.485 0.817 20 0 FCADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419414053 246146133 /nfs/dbraw/zinc/14/61/33/246146133.db2.gz DUVAURMXCLFXPY-KURKYZTESA-N 2 0 356.470 0.760 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419412946 246146941 /nfs/dbraw/zinc/14/69/41/246146941.db2.gz DYRKDMVRIIIZBI-KRWDZBQOSA-N 2 0 373.501 0.122 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC000419397208 246132769 /nfs/dbraw/zinc/13/27/69/246132769.db2.gz UKUIZSZARIVRRV-RHSMWYFYSA-N 2 0 358.486 0.745 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419415892 246150484 /nfs/dbraw/zinc/15/04/84/246150484.db2.gz IIZIJCHBVCQRBN-KRWDZBQOSA-N 2 0 373.501 0.135 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419402148 246137315 /nfs/dbraw/zinc/13/73/15/246137315.db2.gz BHOIEANEHWFMJN-ZWKOTPCHSA-N 2 0 358.486 0.793 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000419402311 246137479 /nfs/dbraw/zinc/13/74/79/246137479.db2.gz CFSTZJIKNUDJGF-XJKSGUPXSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419404745 246139955 /nfs/dbraw/zinc/13/99/55/246139955.db2.gz GQHXXMXMYYUCKQ-BZUAXINKSA-N 2 0 350.438 0.931 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419407174 246140140 /nfs/dbraw/zinc/14/01/40/246140140.db2.gz JUCJBBDGOIOEAC-NOLJZWGESA-N 2 0 350.438 0.740 20 0 FCADRP CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409501 246142203 /nfs/dbraw/zinc/14/22/03/246142203.db2.gz FDAUSJPMFZWNLA-BZSNNMDCSA-N 2 0 374.485 0.260 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419411924 246144551 /nfs/dbraw/zinc/14/45/51/246144551.db2.gz CDMUDLCLSWDKLB-MOPGFXCFSA-N 2 0 370.497 0.619 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419427294 246157357 /nfs/dbraw/zinc/15/73/57/246157357.db2.gz RWDJYVKHJZFMOV-BBWFWOEESA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430824 246159630 /nfs/dbraw/zinc/15/96/30/246159630.db2.gz WEEGFLNAKLGMAT-YJBOKZPZSA-N 2 0 358.486 0.808 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419418291 246151934 /nfs/dbraw/zinc/15/19/34/246151934.db2.gz YCBFBJNTPXUJIZ-ZWKOTPCHSA-N 2 0 374.485 0.044 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419521208 246189495 /nfs/dbraw/zinc/18/94/95/246189495.db2.gz JLSWESOGAKWPAF-XOKHGSTOSA-N 2 0 364.465 0.925 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419528550 246192561 /nfs/dbraw/zinc/19/25/61/246192561.db2.gz WJNGNIVPFJJXMB-USXIJHARSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419474884 246176451 /nfs/dbraw/zinc/17/64/51/246176451.db2.gz CTMQCAYDUZQQAC-PMPSAXMXSA-N 2 0 368.522 0.986 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419532144 246195709 /nfs/dbraw/zinc/19/57/09/246195709.db2.gz MIDHOYUFUURAKV-XLMAVXFVSA-N 2 0 358.486 0.832 20 0 FCADRP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000419556946 246202560 /nfs/dbraw/zinc/20/25/60/246202560.db2.gz LMHXKRPFXGGEQZ-XOYOTBSWSA-N 2 0 358.486 0.786 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H](C[NH3+])C1 ZINC000419659790 246233481 /nfs/dbraw/zinc/23/34/81/246233481.db2.gz AWQTUOJEAIGLNB-HOTGVXAUSA-N 2 0 356.511 0.576 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000419609966 246218024 /nfs/dbraw/zinc/21/80/24/246218024.db2.gz ZRMIQOZWTFLWOK-OAHLLOKOSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000419620641 246220036 /nfs/dbraw/zinc/22/00/36/246220036.db2.gz DDVNJGATIRGNOV-QANKJYHBSA-N 2 0 374.460 0.845 20 0 FCADRP COc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000419654030 246230369 /nfs/dbraw/zinc/23/03/69/246230369.db2.gz RQOKQOLSZVDMBN-ZDUSSCGKSA-N 2 0 366.462 0.640 20 0 FCADRP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419695998 246254310 /nfs/dbraw/zinc/25/43/10/246254310.db2.gz NTLDLHYXYSAPIC-QGZVFWFLSA-N 2 0 373.501 0.811 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696152 246254366 /nfs/dbraw/zinc/25/43/66/246254366.db2.gz UPMVMXIKALMWGO-UHFFFAOYSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419703493 246258671 /nfs/dbraw/zinc/25/86/71/246258671.db2.gz DILMIXAIWMEDDX-NUJGCVRESA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702298 246259547 /nfs/dbraw/zinc/25/95/47/246259547.db2.gz AVGCBLGZMVMOAW-KKUMJFAQSA-N 2 0 354.495 0.596 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419702405 246259865 /nfs/dbraw/zinc/25/98/65/246259865.db2.gz BSSGBTLXCZOHDO-WBVHZDCISA-N 2 0 362.474 0.118 20 0 FCADRP [NH3+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000419749229 246281774 /nfs/dbraw/zinc/28/17/74/246281774.db2.gz VSLAJRDTIJZHOQ-UHFFFAOYSA-N 2 0 352.866 0.743 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757885 246285711 /nfs/dbraw/zinc/28/57/11/246285711.db2.gz JFVMFMGIAQMSJU-HIFRSBDPSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762348 246288944 /nfs/dbraw/zinc/28/89/44/246288944.db2.gz RSVSWPQGUHKYID-GDBMZVCRSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419766237 246291143 /nfs/dbraw/zinc/29/11/43/246291143.db2.gz RLHKJNDEYHSYKG-CRAIPNDOSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000419765642 246291208 /nfs/dbraw/zinc/29/12/08/246291208.db2.gz QNLXRMLVYPGEQH-ZTFGCOKTSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419766239 246291765 /nfs/dbraw/zinc/29/17/65/246291765.db2.gz RLHKJNDEYHSYKG-QAPCUYQASA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778321 246293010 /nfs/dbraw/zinc/29/30/10/246293010.db2.gz OQKWYAJTTJJKOL-IUODEOHRSA-N 2 0 352.479 0.206 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813865 246304057 /nfs/dbraw/zinc/30/40/57/246304057.db2.gz JTCVGIQVWPANTH-KGLIPLIRSA-N 2 0 354.495 0.596 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C[NH3+])C1 ZINC000419822148 246305994 /nfs/dbraw/zinc/30/59/94/246305994.db2.gz OXNFUZREYQAFDQ-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000419823981 246308236 /nfs/dbraw/zinc/30/82/36/246308236.db2.gz QHBFAJSTYJQHPA-QAPCUYQASA-N 2 0 374.485 0.769 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419865909 246336600 /nfs/dbraw/zinc/33/66/00/246336600.db2.gz BOJKFZRQICKRHR-RBSFLKMASA-N 2 0 352.479 0.084 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419869322 246337493 /nfs/dbraw/zinc/33/74/93/246337493.db2.gz NDPPCFUPGMGUHR-KRWDZBQOSA-N 2 0 367.538 0.026 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000419869438 246338306 /nfs/dbraw/zinc/33/83/06/246338306.db2.gz BMYKOEIQCVRICH-HZPDHXFCSA-N 2 0 364.490 0.983 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)o1 ZINC000419935238 246378080 /nfs/dbraw/zinc/37/80/80/246378080.db2.gz IPDIMUBFNKDXCG-OAHLLOKOSA-N 2 0 350.463 0.737 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419933521 246376235 /nfs/dbraw/zinc/37/62/35/246376235.db2.gz FFNIAIWZKYXYDZ-HRCADAONSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419933523 246376535 /nfs/dbraw/zinc/37/65/35/246376535.db2.gz FFNIAIWZKYXYDZ-JYJNAYRXSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419889153 246351437 /nfs/dbraw/zinc/35/14/37/246351437.db2.gz GOLLUBIVSMBLQJ-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000419951001 246383813 /nfs/dbraw/zinc/38/38/13/246383813.db2.gz IXJDNIHNSHWCFI-HNNXBMFYSA-N 2 0 356.511 0.435 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419982919 246401707 /nfs/dbraw/zinc/40/17/07/246401707.db2.gz UHVURDOMSJJNGX-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000420341514 246547428 /nfs/dbraw/zinc/54/74/28/246547428.db2.gz UYHCMFUZTSIPNY-SJORKVTESA-N 2 0 353.488 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C[C@H](C)[NH2+]1 ZINC000423362877 247011636 /nfs/dbraw/zinc/01/16/36/247011636.db2.gz ILEHVTRCTBYCRE-OKILXGFUSA-N 2 0 352.504 0.847 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@@H]1C[NH3+] ZINC000423375612 247015217 /nfs/dbraw/zinc/01/52/17/247015217.db2.gz UJDXXEFBZBJTAX-GJZGRUSLSA-N 2 0 350.463 0.613 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000423392362 247017815 /nfs/dbraw/zinc/01/78/15/247017815.db2.gz QGIUFXSWQIFFHQ-HRCADAONSA-N 2 0 366.506 0.141 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)CC1 ZINC000423306801 247001638 /nfs/dbraw/zinc/00/16/38/247001638.db2.gz UWRSKNNEAQQIJE-OFLPRAFFSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1[NH2+]CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[C@H]1C ZINC000423602967 247070209 /nfs/dbraw/zinc/07/02/09/247070209.db2.gz HRRAMPQCHZZCIE-HOTGVXAUSA-N 2 0 359.474 0.719 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423583832 247063440 /nfs/dbraw/zinc/06/34/40/247063440.db2.gz BBLZKDNCNIFZCJ-HOTGVXAUSA-N 2 0 364.515 0.706 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000423440320 247028537 /nfs/dbraw/zinc/02/85/37/247028537.db2.gz INTJLKRJZIQOSQ-GVDBMIGSSA-N 2 0 368.522 0.389 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423470920 247032889 /nfs/dbraw/zinc/03/28/89/247032889.db2.gz DPYXEMWSFPGAFT-QGZVFWFLSA-N 2 0 370.538 0.778 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470797 247033460 /nfs/dbraw/zinc/03/34/60/247033460.db2.gz GUGOIXNGDZLXAO-WZGPROSRSA-N 2 0 370.497 0.773 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CCN1CCOC ZINC000423515996 247039049 /nfs/dbraw/zinc/03/90/49/247039049.db2.gz AJPCXJPPPDPRED-BZUAXINKSA-N 2 0 354.495 0.141 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423529094 247040954 /nfs/dbraw/zinc/04/09/54/247040954.db2.gz VGPIHRZITJZGNJ-DLBZAZTESA-N 2 0 362.449 0.631 20 0 FCADRP CCOc1ccc(CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000423603811 247071264 /nfs/dbraw/zinc/07/12/64/247071264.db2.gz FHYXPPLWGAGPOZ-UHFFFAOYSA-N 2 0 374.485 0.551 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000423769531 247138750 /nfs/dbraw/zinc/13/87/50/247138750.db2.gz YQDGHPCUENMJRM-KRWDZBQOSA-N 2 0 352.454 0.815 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423788621 247142456 /nfs/dbraw/zinc/14/24/56/247142456.db2.gz YALSVJSUDFFOHM-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423703610 247116698 /nfs/dbraw/zinc/11/66/98/247116698.db2.gz CEUUPKHWTMRTLE-ROUUACIJSA-N 2 0 358.486 0.645 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000423724429 247126003 /nfs/dbraw/zinc/12/60/03/247126003.db2.gz HELAWIADQMYRQS-ZACQAIPSSA-N 2 0 368.522 0.532 20 0 FCADRP Cn1cc([C@@H]2CN(CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424291544 247195082 /nfs/dbraw/zinc/19/50/82/247195082.db2.gz MGKFSSLSFYPCNR-IPMKNSEASA-N 2 0 370.501 0.566 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000424046512 247164901 /nfs/dbraw/zinc/16/49/01/247164901.db2.gz RJSWFTDCFBZJCI-RBUKOAKNSA-N 2 0 358.486 0.706 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000424458206 247224746 /nfs/dbraw/zinc/22/47/46/247224746.db2.gz SPQQUJLZTPKRJD-UHFFFAOYSA-N 2 0 374.485 0.963 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424536816 247255711 /nfs/dbraw/zinc/25/57/11/247255711.db2.gz BOFWFYDJIZWSSA-OKZBNKHCSA-N 2 0 356.470 0.573 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cnc(N(C)C)n2C)CC1 ZINC000425329803 247324904 /nfs/dbraw/zinc/32/49/04/247324904.db2.gz UJKRQRSEABQMFL-UHFFFAOYSA-N 2 0 350.511 0.862 20 0 FCADRP c1cn([C@@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500945 247346766 /nfs/dbraw/zinc/34/67/66/247346766.db2.gz DSELMAYSNOSXOW-HDICACEKSA-N 2 0 374.493 0.860 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441095524 248238329 /nfs/dbraw/zinc/23/83/29/248238329.db2.gz RHOWBXCLXVTXAE-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441353807 248249840 /nfs/dbraw/zinc/24/98/40/248249840.db2.gz HGPBUXXDUQCJJP-UHFFFAOYSA-N 2 0 364.538 0.681 20 0 FCADRP Cn1cnc2c1c(=O)n(CCC[N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH2+]3)c(=O)n2C ZINC000442767226 248295611 /nfs/dbraw/zinc/29/56/11/248295611.db2.gz QHZRPPKJZOEWJI-PBWFPOADSA-N 2 0 360.462 0.039 20 0 FCADRP CNc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443522715 248330471 /nfs/dbraw/zinc/33/04/71/248330471.db2.gz MUWDGQXAERAMBN-AJNGGQMLSA-N 2 0 362.526 0.393 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444271970 248353668 /nfs/dbraw/zinc/35/36/68/248353668.db2.gz UWIJCWLKRBJWTF-HNAYVOBHSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000444353838 248355919 /nfs/dbraw/zinc/35/59/19/248355919.db2.gz RXYNTKJNVTXUPE-QAPCUYQASA-N 2 0 353.507 0.933 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446140343 248382806 /nfs/dbraw/zinc/38/28/06/248382806.db2.gz UZRVATHCJOPBDB-OAHLLOKOSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1CC(=O)C[C@H](C(=O)NCCC[NH+](C)C)[C@H]1C(=O)NCCC[NH+](C)C ZINC000448544086 248451076 /nfs/dbraw/zinc/45/10/76/248451076.db2.gz VUCOJNMBKHDHTN-PVAVHDDUSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@H](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000452565915 249322458 /nfs/dbraw/zinc/32/24/58/249322458.db2.gz NKWPUVBEKKZRTB-MZBWOGCUSA-N 2 0 352.523 0.783 20 0 FCADRP CC1[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452967654 249339024 /nfs/dbraw/zinc/33/90/24/249339024.db2.gz CBMDIJYQMFMJFN-DWMDIXPDSA-N 2 0 360.502 0.194 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459931369 249794681 /nfs/dbraw/zinc/79/46/81/249794681.db2.gz IYJOAIQGJAJDMB-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270708017 211252069 /nfs/dbraw/zinc/25/20/69/211252069.db2.gz KLYOMTIZCBHWAC-INIZCTEOSA-N 2 0 364.494 0.067 20 0 FCADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007385 250020907 /nfs/dbraw/zinc/02/09/07/250020907.db2.gz BJGPXUFQWVZRQI-HOCLYGCPSA-N 2 0 363.458 0.914 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000471639212 250111661 /nfs/dbraw/zinc/11/16/61/250111661.db2.gz XIZSAUBKESKFNL-DLBZAZTESA-N 2 0 356.511 0.632 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000471639214 250111908 /nfs/dbraw/zinc/11/19/08/250111908.db2.gz XIZSAUBKESKFNL-IRXDYDNUSA-N 2 0 356.511 0.632 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000472279830 250142709 /nfs/dbraw/zinc/14/27/09/250142709.db2.gz VPFCYECPCBLODO-ZWKOTPCHSA-N 2 0 368.522 0.546 20 0 FCADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594684 250163938 /nfs/dbraw/zinc/16/39/38/250163938.db2.gz CSSSSUFKTHDXTB-MAUKXSAKSA-N 2 0 369.506 0.875 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000480870919 250290514 /nfs/dbraw/zinc/29/05/14/250290514.db2.gz CCNOQLPIXWKATL-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCSC1 ZINC000481794482 250361995 /nfs/dbraw/zinc/36/19/95/250361995.db2.gz JUYZKNOISLUMTK-QGZVFWFLSA-N 2 0 356.536 0.930 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCSC1 ZINC000481797635 250362773 /nfs/dbraw/zinc/36/27/73/250362773.db2.gz SLACQMGCHXAZHH-CZUORRHYSA-N 2 0 357.524 0.063 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879239 250370629 /nfs/dbraw/zinc/37/06/29/250370629.db2.gz NDRSWWXIWMNJEH-CVEARBPZSA-N 2 0 368.522 0.044 20 0 FCADRP C[C@@H](C(=O)N(C)CC(=O)NCCN1CCC([NH+](C)C)CC1)n1cccn1 ZINC000482031710 250375383 /nfs/dbraw/zinc/37/53/83/250375383.db2.gz NFLGHHKUVOWEFZ-HNNXBMFYSA-N 2 0 364.494 0.045 20 0 FCADRP CCCC(=O)N1CSC[C@@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482016197 250375389 /nfs/dbraw/zinc/37/53/89/250375389.db2.gz KURAHMGIIMEVDI-OAHLLOKOSA-N 2 0 356.536 0.830 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413075483 532991913 /nfs/dbraw/zinc/99/19/13/532991913.db2.gz PPHRZYFXJMTQGC-HRCADAONSA-N 2 0 370.494 0.232 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CC[N@H+](C)C1 ZINC000413098736 532993306 /nfs/dbraw/zinc/99/33/06/532993306.db2.gz COWYQIAYEZXJJX-BZUAXINKSA-N 2 0 354.495 0.996 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@H+](C)C1 ZINC000413160522 532998000 /nfs/dbraw/zinc/99/80/00/532998000.db2.gz CYFLJEXNUVSKJB-HRCADAONSA-N 2 0 354.495 0.853 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1=O ZINC000072998353 208044992 /nfs/dbraw/zinc/04/49/92/208044992.db2.gz JBFGGQIZGGOYOX-WBVHZDCISA-N 2 0 364.465 0.955 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000105319593 208196372 /nfs/dbraw/zinc/19/63/72/208196372.db2.gz WWYUECQBMLDLPH-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](CCCO)C1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000115547486 208326286 /nfs/dbraw/zinc/32/62/86/208326286.db2.gz FUVSGPYQTOPLMS-UHFFFAOYSA-N 2 0 368.503 0.954 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616871 208388151 /nfs/dbraw/zinc/38/81/51/208388151.db2.gz FPYYVABKNWDODX-JKSUJKDBSA-N 2 0 367.538 0.911 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)CN1CCOCC1 ZINC000120923258 208395317 /nfs/dbraw/zinc/39/53/17/208395317.db2.gz AMSVOKHLMXPVQH-OAHLLOKOSA-N 2 0 371.441 0.895 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000177481768 209026172 /nfs/dbraw/zinc/02/61/72/209026172.db2.gz UBCATZFPNYDCEP-GASCZTMLSA-N 2 0 352.479 0.750 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000177071375 209015006 /nfs/dbraw/zinc/01/50/06/209015006.db2.gz SZVTZNQDICPPQX-HNNXBMFYSA-N 2 0 350.467 0.631 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884443 209064127 /nfs/dbraw/zinc/06/41/27/209064127.db2.gz MTLRMFQQYLWEDL-VQTJNVASSA-N 2 0 374.529 0.810 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000188765949 229248986 /nfs/dbraw/zinc/24/89/86/229248986.db2.gz IFOLBFDJFAIVLY-OAHLLOKOSA-N 2 0 356.511 0.584 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410429797 230076041 /nfs/dbraw/zinc/07/60/41/230076041.db2.gz DKGZKYWDQRFJNR-INIZCTEOSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466546 230088917 /nfs/dbraw/zinc/08/89/17/230088917.db2.gz IZIZCYICTGPOLK-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000410472925 230093383 /nfs/dbraw/zinc/09/33/83/230093383.db2.gz STSYEIAJFLVTEV-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410708567 230205067 /nfs/dbraw/zinc/20/50/67/230205067.db2.gz JUBNTMCZMMSOKY-UHFFFAOYSA-N 2 0 364.490 0.970 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410956771 230325552 /nfs/dbraw/zinc/32/55/52/230325552.db2.gz ZKFQNWQPEUJCTQ-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000411026065 230354467 /nfs/dbraw/zinc/35/44/67/230354467.db2.gz BSAPVIOVMPHNPJ-JKSUJKDBSA-N 2 0 364.515 0.801 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000934259882 674289158 /nfs/dbraw/zinc/28/91/58/674289158.db2.gz LCJAFAYKALBWQF-MSOLQXFVSA-N 2 0 352.523 0.506 20 0 FCADRP Cn1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc(=O)n(C)c1=O ZINC000363666924 488870978 /nfs/dbraw/zinc/87/09/78/488870978.db2.gz SDWQOSHKSQEVRJ-UHFFFAOYSA-N 2 0 350.463 0.018 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000287872652 488916187 /nfs/dbraw/zinc/91/61/87/488916187.db2.gz GCVWCRDERIWHKM-UHFFFAOYSA-N 2 0 363.462 0.583 20 0 FCADRP O=S(=O)(CCCN1CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000364048348 488917441 /nfs/dbraw/zinc/91/74/41/488917441.db2.gz OQLFGCYNVYKSDD-QGZVFWFLSA-N 2 0 359.536 0.846 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1(C)C ZINC000328242439 488921794 /nfs/dbraw/zinc/92/17/94/488921794.db2.gz AHXIKPSOIWKCOF-FCEWJHQRSA-N 2 0 354.539 0.907 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)o1 ZINC000042742136 487875997 /nfs/dbraw/zinc/87/59/97/487875997.db2.gz QKIUUVOZGINJJE-UHFFFAOYSA-N 2 0 350.463 0.967 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000329039905 488962925 /nfs/dbraw/zinc/96/29/25/488962925.db2.gz HWHBAGLOUVAIRS-QGZVFWFLSA-N 2 0 366.506 0.111 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000569793452 491191933 /nfs/dbraw/zinc/19/19/33/491191933.db2.gz NLSDYNQBJXJQFE-LSDHHAIUSA-N 2 0 351.495 0.323 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000569793380 491192066 /nfs/dbraw/zinc/19/20/66/491192066.db2.gz LUNIBGUFMLUXCL-AWEZNQCLSA-N 2 0 363.428 0.749 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCc2ccccc21 ZINC000554321713 491193964 /nfs/dbraw/zinc/19/39/64/491193964.db2.gz KQRJYJGYIGSDII-QGZVFWFLSA-N 2 0 360.502 0.784 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)c1 ZINC000569807704 491194072 /nfs/dbraw/zinc/19/40/72/491194072.db2.gz NGIYJFLLUWTUKO-CQSZACIVSA-N 2 0 371.445 0.396 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1=O ZINC000072827094 488382916 /nfs/dbraw/zinc/38/29/16/488382916.db2.gz JYJOZKUKUMCGRO-ROUUACIJSA-N 2 0 360.502 0.686 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152716 488388212 /nfs/dbraw/zinc/38/82/12/488388212.db2.gz LNMWDXPJOOXREK-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682482 488402188 /nfs/dbraw/zinc/40/21/88/488402188.db2.gz VBSIAQJDIYCZME-LSDHHAIUSA-N 2 0 369.535 0.941 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000076324657 488403514 /nfs/dbraw/zinc/40/35/14/488403514.db2.gz HEDUNASXIBQBBH-QGZVFWFLSA-N 2 0 365.522 0.660 20 0 FCADRP CCOC(=O)c1nn(C)cc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000186343887 488406177 /nfs/dbraw/zinc/40/61/77/488406177.db2.gz MMCLOSJZWLADKW-UHFFFAOYSA-N 2 0 351.495 0.960 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000187167999 488408785 /nfs/dbraw/zinc/40/87/85/488408785.db2.gz MUJCMGVJSWDNEI-UHFFFAOYSA-N 2 0 364.490 0.632 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554342755 491196691 /nfs/dbraw/zinc/19/66/91/491196691.db2.gz DHRXFXLXBOXPDW-RDJZCZTQSA-N 2 0 368.522 0.591 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000189430418 488414772 /nfs/dbraw/zinc/41/47/72/488414772.db2.gz MQGJBHYMDITFBX-OAHLLOKOSA-N 2 0 357.524 0.682 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000077840380 488418766 /nfs/dbraw/zinc/41/87/66/488418766.db2.gz SEQUZZNIIRHMAJ-INIZCTEOSA-N 2 0 350.463 0.506 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nnnn1-c1ccccc1 ZINC000077831991 488418887 /nfs/dbraw/zinc/41/88/87/488418887.db2.gz CJLCIAMQNNKPRH-OAHLLOKOSA-N 2 0 374.493 0.858 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(-n3cccn3)nc(N)n2)CC1 ZINC000268454338 488420391 /nfs/dbraw/zinc/42/03/91/488420391.db2.gz WIAHRGDEPSGOJO-UHFFFAOYSA-N 2 0 372.477 0.625 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554342639 491197205 /nfs/dbraw/zinc/19/72/05/491197205.db2.gz BTTJJMVTXOTNDQ-QGZVFWFLSA-N 2 0 369.554 0.175 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000080061081 488433286 /nfs/dbraw/zinc/43/32/86/488433286.db2.gz APALMOZSGJOHCE-HUUCEWRRSA-N 2 0 352.479 0.113 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873427 488434685 /nfs/dbraw/zinc/43/46/85/488434685.db2.gz PKZRLHIGIKEBHA-HNNXBMFYSA-N 2 0 359.478 0.541 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000080450128 488435652 /nfs/dbraw/zinc/43/56/52/488435652.db2.gz WUBRMDLZROYKCB-MRXNPFEDSA-N 2 0 355.527 0.016 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000246380124 488472147 /nfs/dbraw/zinc/47/21/47/488472147.db2.gz QQDBCEDPBHRCCC-OKZBNKHCSA-N 2 0 369.554 0.668 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC000246491748 488473400 /nfs/dbraw/zinc/47/34/00/488473400.db2.gz SMSJNGDKWHLEKN-ROUUACIJSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246549821 488473479 /nfs/dbraw/zinc/47/34/79/488473479.db2.gz XDWXHFFPFIQMIO-CABCVRRESA-N 2 0 364.494 0.620 20 0 FCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092599375 488475336 /nfs/dbraw/zinc/47/53/36/488475336.db2.gz HURREDXCBYCJTP-QGZVFWFLSA-N 2 0 362.474 0.302 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288104 488487238 /nfs/dbraw/zinc/48/72/38/488487238.db2.gz JQJRKXHUVLFTQA-RBUKOAKNSA-N 2 0 360.502 0.860 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000248372925 488495410 /nfs/dbraw/zinc/49/54/10/488495410.db2.gz DTOKTRNNFLXFLE-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000103212251 488500138 /nfs/dbraw/zinc/50/01/38/488500138.db2.gz ASYDKQORUZRURC-UHFFFAOYSA-N 2 0 371.485 0.862 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1c1ccccc1F ZINC000562958072 491203143 /nfs/dbraw/zinc/20/31/43/491203143.db2.gz ICHSQANJXCFIQQ-UWWQBHOKSA-N 2 0 374.460 0.776 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000103508571 488502437 /nfs/dbraw/zinc/50/24/37/488502437.db2.gz GNUBGUFGHHUEPM-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP Cc1nn(C)c2ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc12 ZINC000104102641 488504248 /nfs/dbraw/zinc/50/42/48/488504248.db2.gz QLGZPFCYLRVOGP-UHFFFAOYSA-N 2 0 368.507 0.391 20 0 FCADRP CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369628 488517517 /nfs/dbraw/zinc/51/75/17/488517517.db2.gz NZSSSVIETZWVBP-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000107371894 488517623 /nfs/dbraw/zinc/51/76/23/488517623.db2.gz DMJVRYHEIRDHFF-HCXYKTFWSA-N 2 0 354.539 0.168 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108555006 488519474 /nfs/dbraw/zinc/51/94/74/488519474.db2.gz LLJFMEYQWLERMP-OAHLLOKOSA-N 2 0 353.511 0.618 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261653995 488529515 /nfs/dbraw/zinc/52/95/15/488529515.db2.gz JXYMPBGMYXGKKH-OAHLLOKOSA-N 2 0 368.503 0.224 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261896044 488540586 /nfs/dbraw/zinc/54/05/86/488540586.db2.gz RBWOGUPKAQUKKS-KKUMJFAQSA-N 2 0 367.494 0.189 20 0 FCADRP O=C(CC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1)N1CC[NH2+]CC1 ZINC000261956455 488543708 /nfs/dbraw/zinc/54/37/08/488543708.db2.gz ADJKFSHSHXTEJK-UHFFFAOYSA-N 2 0 360.458 0.865 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000116399995 488547552 /nfs/dbraw/zinc/54/75/52/488547552.db2.gz YASKXFJIWCQUBC-ZGXWSNOMSA-N 2 0 368.566 0.558 20 0 FCADRP Cc1ccc([C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000569945706 491205712 /nfs/dbraw/zinc/20/57/12/491205712.db2.gz JWNOSJZZHOARKV-SFHVURJKSA-N 2 0 373.501 0.863 20 0 FCADRP O=C(N1CC[NH+](CC2CCOCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262264902 488560111 /nfs/dbraw/zinc/56/01/11/488560111.db2.gz MNELLJJEHMDHIJ-UHFFFAOYSA-N 2 0 361.490 0.533 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646692 488562135 /nfs/dbraw/zinc/56/21/35/488562135.db2.gz NVBPVBXDCHMXOA-SJORKVTESA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262299477 488562447 /nfs/dbraw/zinc/56/24/47/488562447.db2.gz XGUSWVSKMIXPDO-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308187 488562960 /nfs/dbraw/zinc/56/29/60/488562960.db2.gz YMXHBDJTUREVLT-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308189 488563079 /nfs/dbraw/zinc/56/30/79/488563079.db2.gz YMXHBDJTUREVLT-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP CS(=O)(=O)C1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262330405 488564313 /nfs/dbraw/zinc/56/43/13/488564313.db2.gz GPLNBEVXVUVIRC-INIZCTEOSA-N 2 0 365.499 0.544 20 0 FCADRP COC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000262337883 488564785 /nfs/dbraw/zinc/56/47/85/488564785.db2.gz SIASLPIPYMKBKC-GOSISDBHSA-N 2 0 365.474 0.766 20 0 FCADRP C[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000262458714 488571047 /nfs/dbraw/zinc/57/10/47/488571047.db2.gz WVOYLUCGOBOTPJ-OAHLLOKOSA-N 2 0 358.486 0.984 20 0 FCADRP COc1cc(CNC(=O)C[C@@H]2COCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000262466451 488571646 /nfs/dbraw/zinc/57/16/46/488571646.db2.gz XWXORGFWTZXUNJ-OAHLLOKOSA-N 2 0 351.447 0.630 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262459801 488571704 /nfs/dbraw/zinc/57/17/04/488571704.db2.gz WXRPQIGBDXGHHM-NVXWUHKLSA-N 2 0 360.458 0.701 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000121824437 488571703 /nfs/dbraw/zinc/57/17/03/488571703.db2.gz MJXYOEMWOSYEDP-SFHVURJKSA-N 2 0 351.539 0.996 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1=O ZINC000262508926 488574205 /nfs/dbraw/zinc/57/42/05/488574205.db2.gz MIHMTKQMTQCBLF-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000122359690 488577645 /nfs/dbraw/zinc/57/76/45/488577645.db2.gz GDPPMDNAGOYBRW-MRXNPFEDSA-N 2 0 358.552 0.960 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000262674235 488585380 /nfs/dbraw/zinc/58/53/80/488585380.db2.gz QQCCQKQFJMFLIK-MRXNPFEDSA-N 2 0 358.446 0.069 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554573294 491210639 /nfs/dbraw/zinc/21/06/39/491210639.db2.gz WWCNDDNNYMQIJW-SJORKVTESA-N 2 0 355.527 0.111 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1(C)C ZINC000262782734 488593029 /nfs/dbraw/zinc/59/30/29/488593029.db2.gz LKEKJZKXEOKIGY-HNAYVOBHSA-N 2 0 366.506 0.286 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C ZINC000124649760 488594373 /nfs/dbraw/zinc/59/43/73/488594373.db2.gz DJUAVJPHOQMFQD-CQSZACIVSA-N 2 0 350.467 0.233 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCN(C)CC1 ZINC000262889324 488598304 /nfs/dbraw/zinc/59/83/04/488598304.db2.gz ZZSSDYKYTGSAQT-FUHWJXTLSA-N 2 0 362.522 0.809 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000262931731 488599516 /nfs/dbraw/zinc/59/95/16/488599516.db2.gz HVTUDHAXKDMNOC-UHFFFAOYSA-N 2 0 354.476 0.642 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2nccc(C)n2n1 ZINC000125559022 488602391 /nfs/dbraw/zinc/60/23/91/488602391.db2.gz VKWKIEFPQUTGJH-HNNXBMFYSA-N 2 0 359.478 0.921 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000127929471 488620772 /nfs/dbraw/zinc/62/07/72/488620772.db2.gz MEFKZDJTWAJRJD-UHFFFAOYSA-N 2 0 364.494 0.983 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000263829960 488629696 /nfs/dbraw/zinc/62/96/96/488629696.db2.gz UBZRWIDQYAMXTM-CYBMUJFWSA-N 2 0 372.491 0.415 20 0 FCADRP O=C(COCC(=O)NCC[NH+]1CCCCC1)NCC[NH+]1CCCCC1 ZINC000129550523 488631999 /nfs/dbraw/zinc/63/19/99/488631999.db2.gz GYJUMQJULUOICI-UHFFFAOYSA-N 2 0 354.495 0.207 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000273159373 488635448 /nfs/dbraw/zinc/63/54/48/488635448.db2.gz ZCQGUMLUUANGLO-QFBILLFUSA-N 2 0 361.486 0.838 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130660994 488639415 /nfs/dbraw/zinc/63/94/15/488639415.db2.gz SEZHQXQRYVKCBM-HZPDHXFCSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000133163407 488657666 /nfs/dbraw/zinc/65/76/66/488657666.db2.gz KRBDBSDOSQEGPG-UHFFFAOYSA-N 2 0 352.483 0.618 20 0 FCADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000134030843 488663974 /nfs/dbraw/zinc/66/39/74/488663974.db2.gz JITYLXSYQDKQRW-OAHLLOKOSA-N 2 0 351.520 0.901 20 0 FCADRP C[NH+](C)CCCNC(=O)Cc1ccc(CC(=O)NCCC[NH+](C)C)cc1 ZINC000274006719 488678672 /nfs/dbraw/zinc/67/86/72/488678672.db2.gz ADRHKHZQVKHPDN-UHFFFAOYSA-N 2 0 362.518 0.907 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000137243413 488680214 /nfs/dbraw/zinc/68/02/14/488680214.db2.gz BZRUSSSRAURFEH-QGZVFWFLSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccs1 ZINC000264524608 488682443 /nfs/dbraw/zinc/68/24/43/488682443.db2.gz XCTDNBSRMGBXPT-KBPBESRZSA-N 2 0 367.519 0.990 20 0 FCADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000150761011 488699680 /nfs/dbraw/zinc/69/96/80/488699680.db2.gz TWBBYESDGFJZBT-GOSISDBHSA-N 2 0 372.517 0.933 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCn2cnnc2C1 ZINC000264713039 488701752 /nfs/dbraw/zinc/70/17/52/488701752.db2.gz COVNVBOFZANBHT-UHFFFAOYSA-N 2 0 370.461 0.411 20 0 FCADRP COc1cccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713893 488702221 /nfs/dbraw/zinc/70/22/21/488702221.db2.gz DZDJYBJGPWQBOZ-AEFFLSMTSA-N 2 0 363.506 0.843 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000151222875 488702905 /nfs/dbraw/zinc/70/29/05/488702905.db2.gz XYKTVQWZWKPPGH-UHFFFAOYSA-N 2 0 372.473 0.761 20 0 FCADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151879512 488711004 /nfs/dbraw/zinc/71/10/04/488711004.db2.gz VGJUKINISCBAIP-CQSZACIVSA-N 2 0 355.504 0.950 20 0 FCADRP COC(=O)[C@@H](NC(=O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)C ZINC000570087603 491215639 /nfs/dbraw/zinc/21/56/39/491215639.db2.gz RXVVSAVSUSAKAG-NUJGCVRESA-N 2 0 368.522 0.258 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154531266 488744124 /nfs/dbraw/zinc/74/41/24/488744124.db2.gz AIYOHDDYIKDCIL-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266955461 488747513 /nfs/dbraw/zinc/74/75/13/488747513.db2.gz YREFUKFXMPMSBB-UHFFFAOYSA-N 2 0 363.506 0.678 20 0 FCADRP CCC[C@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000161798531 488799078 /nfs/dbraw/zinc/79/90/78/488799078.db2.gz KSGJDOXTJSIBCZ-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190027 491223088 /nfs/dbraw/zinc/22/30/88/491223088.db2.gz ZFRNQKCSCWSILJ-UKRRQHHQSA-N 2 0 350.488 0.649 20 0 FCADRP Cc1nc2n(n1)C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000171088174 488819671 /nfs/dbraw/zinc/81/96/71/488819671.db2.gz FENCGJCQJLEJTA-MRXNPFEDSA-N 2 0 365.526 0.816 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000171305947 488821843 /nfs/dbraw/zinc/82/18/43/488821843.db2.gz PWXLWDXAZJJQKD-LMMKCTJWSA-N 2 0 355.523 0.501 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000173579905 488843639 /nfs/dbraw/zinc/84/36/39/488843639.db2.gz YJMGQJBQAFSRNM-UHFFFAOYSA-N 2 0 356.511 0.709 20 0 FCADRP NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173954819 488846568 /nfs/dbraw/zinc/84/65/68/488846568.db2.gz HWCJKSAPRDYMFG-INIZCTEOSA-N 2 0 366.506 0.287 20 0 FCADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000174546599 488849648 /nfs/dbraw/zinc/84/96/48/488849648.db2.gz BUDXBLVNFDUKDI-SFHVURJKSA-N 2 0 373.501 0.826 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000174785361 488851119 /nfs/dbraw/zinc/85/11/19/488851119.db2.gz RMSYBLRTPDHULK-IAGOWNOFSA-N 2 0 355.527 0.375 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000174825799 488851597 /nfs/dbraw/zinc/85/15/97/488851597.db2.gz JYZZDAURRFNUOX-QGZVFWFLSA-N 2 0 369.554 0.264 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000175425297 488854025 /nfs/dbraw/zinc/85/40/25/488854025.db2.gz YRTVKRRNYYDLQC-UHFFFAOYSA-N 2 0 351.499 0.592 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178885574 488860704 /nfs/dbraw/zinc/86/07/04/488860704.db2.gz XUOKANIXMBWKKI-HZPDHXFCSA-N 2 0 358.552 0.320 20 0 FCADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329334821 488993929 /nfs/dbraw/zinc/99/39/29/488993929.db2.gz KXMWMNUGYAGWSO-MAUKXSAKSA-N 2 0 353.507 0.933 20 0 FCADRP C[C@]1(C(N)=O)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000280294771 488995617 /nfs/dbraw/zinc/99/56/17/488995617.db2.gz PCXLQPUMSXYUMG-IBGZPJMESA-N 2 0 374.489 0.501 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000563221157 491228119 /nfs/dbraw/zinc/22/81/19/491228119.db2.gz ZQHYPAVBRGQYNF-JZXOWHBKSA-N 2 0 355.523 0.283 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1C1CC1 ZINC000289036044 489037394 /nfs/dbraw/zinc/03/73/94/489037394.db2.gz WHMNWSKZZKNFLV-HUUCEWRRSA-N 2 0 362.474 0.911 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccn3ccnc3c2)C[C@H](C)O1 ZINC000289308693 489057510 /nfs/dbraw/zinc/05/75/10/489057510.db2.gz WIOITIPBGYROHK-GASCZTMLSA-N 2 0 373.457 0.566 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000554875314 491230605 /nfs/dbraw/zinc/23/06/05/491230605.db2.gz AARDRQQCEUZPJP-UHFFFAOYSA-N 2 0 352.527 0.490 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289378507 489063057 /nfs/dbraw/zinc/06/30/57/489063057.db2.gz IWYCLFRZLIFOMW-HNNXBMFYSA-N 2 0 363.506 0.928 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000366242770 489162090 /nfs/dbraw/zinc/16/20/90/489162090.db2.gz CADJHMLISAAPJB-DLBZAZTESA-N 2 0 356.511 0.897 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)C1=CC[N@H+](C)CC1 ZINC000290760115 489163553 /nfs/dbraw/zinc/16/35/53/489163553.db2.gz ZUSLXZLAIADBSR-ZBFHGGJFSA-N 2 0 357.458 0.543 20 0 FCADRP C[N@H+](C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778481 489164679 /nfs/dbraw/zinc/16/46/79/489164679.db2.gz MOPBBKYUYLAGPN-FXAWDEMLSA-N 2 0 372.469 0.638 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000366327111 489171369 /nfs/dbraw/zinc/17/13/69/489171369.db2.gz SDCWUYIQIZAUDC-SFHVURJKSA-N 2 0 362.474 0.264 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000331173425 489181051 /nfs/dbraw/zinc/18/10/51/489181051.db2.gz DLRMWOGPFDACPE-UHFFFAOYSA-N 2 0 355.504 0.825 20 0 FCADRP CN1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000366465459 489185824 /nfs/dbraw/zinc/18/58/24/489185824.db2.gz XPMSBBYMHQKSHU-MSOLQXFVSA-N 2 0 366.506 0.602 20 0 FCADRP CCNC(=O)COc1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1OC ZINC000570396743 491238163 /nfs/dbraw/zinc/23/81/63/491238163.db2.gz PDVOZGXNLLXPIU-OAHLLOKOSA-N 2 0 350.463 0.285 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000331368187 489202266 /nfs/dbraw/zinc/20/22/66/489202266.db2.gz BWPJQIAWCLUDFK-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000331370873 489202495 /nfs/dbraw/zinc/20/24/95/489202495.db2.gz GIBDOJQVZPUIEJ-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000283193321 489225089 /nfs/dbraw/zinc/22/50/89/489225089.db2.gz APXAJRWKCRTXMP-ZDUSSCGKSA-N 2 0 356.492 0.161 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000297697076 489225226 /nfs/dbraw/zinc/22/52/26/489225226.db2.gz HLMVGHWXLNCLMR-HNNXBMFYSA-N 2 0 350.463 0.722 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C1 ZINC000332838087 489237381 /nfs/dbraw/zinc/23/73/81/489237381.db2.gz GRUWOMQRZKBGPP-DLBZAZTESA-N 2 0 368.522 0.728 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332842762 489238022 /nfs/dbraw/zinc/23/80/22/489238022.db2.gz OIKAKMJXIYZFOG-OKZBNKHCSA-N 2 0 368.522 0.774 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000369469128 489241567 /nfs/dbraw/zinc/24/15/67/489241567.db2.gz QTOFOIAKIJAJSY-ROUUACIJSA-N 2 0 374.485 0.709 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332979685 489253019 /nfs/dbraw/zinc/25/30/19/489253019.db2.gz KYCIAWCMBBXFME-NJAFHUGGSA-N 2 0 367.538 0.299 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000333639485 489262735 /nfs/dbraw/zinc/26/27/35/489262735.db2.gz HWKVOZRLXSMPOJ-JYJNAYRXSA-N 2 0 351.495 0.323 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501427 489267113 /nfs/dbraw/zinc/26/71/13/489267113.db2.gz PPORNQPCPUQHQT-QRVBRYPASA-N 2 0 370.497 0.930 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738429 489269531 /nfs/dbraw/zinc/26/95/31/489269531.db2.gz XVWYCBDPMJJMLO-RYQLBKOJSA-N 2 0 366.506 0.744 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370068295 489313293 /nfs/dbraw/zinc/31/32/93/489313293.db2.gz WQNDFXRNVAOTGU-DLBZAZTESA-N 2 0 374.485 0.975 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285816635 489321856 /nfs/dbraw/zinc/32/18/56/489321856.db2.gz NPWIKZAKYZRFJL-GOSISDBHSA-N 2 0 360.502 0.687 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000298724236 489357653 /nfs/dbraw/zinc/35/76/53/489357653.db2.gz WVZJDRWGOSNOEC-OAGGEKHMSA-N 2 0 366.510 0.374 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000370516291 489369581 /nfs/dbraw/zinc/36/95/81/489369581.db2.gz AIDBIOBKPCLJJC-MSOLQXFVSA-N 2 0 357.539 0.748 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000362077529 489374635 /nfs/dbraw/zinc/37/46/35/489374635.db2.gz JPEFHKDYFCLBAR-CQSZACIVSA-N 2 0 352.460 0.252 20 0 FCADRP COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000570683239 491257438 /nfs/dbraw/zinc/25/74/38/491257438.db2.gz KVFMQYQJRNLFOY-CYBMUJFWSA-N 2 0 364.446 0.388 20 0 FCADRP COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000570683240 491257695 /nfs/dbraw/zinc/25/76/95/491257695.db2.gz KVFMQYQJRNLFOY-ZDUSSCGKSA-N 2 0 364.446 0.388 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021573 489439094 /nfs/dbraw/zinc/43/90/94/489439094.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371030001 489441404 /nfs/dbraw/zinc/44/14/04/489441404.db2.gz ZJXVGQDGCCUAAF-GOSISDBHSA-N 2 0 369.554 0.622 20 0 FCADRP COc1ccncc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000299472105 489445662 /nfs/dbraw/zinc/44/56/62/489445662.db2.gz DHWISAUJJCHRLX-UHFFFAOYSA-N 2 0 365.478 0.761 20 0 FCADRP CC(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299598617 489461091 /nfs/dbraw/zinc/46/10/91/489461091.db2.gz VHOWFUAUHDHXAL-GOSISDBHSA-N 2 0 359.474 0.721 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1C ZINC000287150741 489465684 /nfs/dbraw/zinc/46/56/84/489465684.db2.gz YLMHPUCAYVPZQJ-ZFWWWQNUSA-N 2 0 362.478 0.045 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1CCOC ZINC000371354562 489479642 /nfs/dbraw/zinc/47/96/42/489479642.db2.gz USLWBLZCUAPUIR-SQNIBIBYSA-N 2 0 368.522 0.992 20 0 FCADRP Cc1oc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363617437 489483710 /nfs/dbraw/zinc/48/37/10/489483710.db2.gz TVVWSJAWGXWNAX-GFCCVEGCSA-N 2 0 370.475 0.134 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423166999 489498742 /nfs/dbraw/zinc/49/87/42/489498742.db2.gz RRZFEEKMPCYIDR-SFHVURJKSA-N 2 0 373.501 0.844 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423164725 489499002 /nfs/dbraw/zinc/49/90/02/489499002.db2.gz PAECPLPNUSKHNT-OAHLLOKOSA-N 2 0 350.438 0.523 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423169488 489499131 /nfs/dbraw/zinc/49/91/31/489499131.db2.gz WAFZFZYMSKTBJV-ZBFHGGJFSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423163810 489499153 /nfs/dbraw/zinc/49/91/53/489499153.db2.gz NLXSVJTWYZQAAR-INIZCTEOSA-N 2 0 364.465 0.784 20 0 FCADRP COC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000414488063 489501096 /nfs/dbraw/zinc/50/10/96/489501096.db2.gz SWQPNVMKAMEFQN-UHFFFAOYSA-N 2 0 351.447 0.952 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423201371 489502052 /nfs/dbraw/zinc/50/20/52/489502052.db2.gz IJSNEXBABOFTJO-AWEZNQCLSA-N 2 0 368.428 0.675 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423209498 489503059 /nfs/dbraw/zinc/50/30/59/489503059.db2.gz UXHPXTNPMFIIAY-INIZCTEOSA-N 2 0 350.438 0.536 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423214232 489503201 /nfs/dbraw/zinc/50/32/01/489503201.db2.gz OLGUSHRWTHXYKU-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423240643 489506412 /nfs/dbraw/zinc/50/64/12/489506412.db2.gz KUDVOCWURVOCOF-JQHSSLGASA-N 2 0 358.486 0.740 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423261677 489508714 /nfs/dbraw/zinc/50/87/14/489508714.db2.gz SQKXOPRIFIPEKX-OALUTQOASA-N 2 0 372.513 0.953 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000423294047 489512242 /nfs/dbraw/zinc/51/22/42/489512242.db2.gz BBBXYJREIHTUTF-SOLBZPMBSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415380291 489516793 /nfs/dbraw/zinc/51/67/93/489516793.db2.gz PKOVHWUCVZFTNY-KRWDZBQOSA-N 2 0 359.474 0.241 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415419736 489519307 /nfs/dbraw/zinc/51/93/07/489519307.db2.gz VIYFTPSCZUJSNU-LBPRGKRZSA-N 2 0 354.426 0.676 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000415424826 489519711 /nfs/dbraw/zinc/51/97/11/489519711.db2.gz BPBGQEOTWOEPLV-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000415429499 489520299 /nfs/dbraw/zinc/52/02/99/489520299.db2.gz IMPLVTBFDCBXQM-HNNXBMFYSA-N 2 0 359.474 0.193 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000415431504 489520521 /nfs/dbraw/zinc/52/05/21/489520521.db2.gz GMCIOMPOGKNKHJ-YJBOKZPZSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[NH2+]1 ZINC000415435176 489521259 /nfs/dbraw/zinc/52/12/59/489521259.db2.gz NJYATKCLAGEFGF-ZDUSSCGKSA-N 2 0 361.446 0.313 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000415445309 489521959 /nfs/dbraw/zinc/52/19/59/489521959.db2.gz DWGXCTBHFOFCGI-QGZVFWFLSA-N 2 0 359.474 0.226 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000415465636 489523323 /nfs/dbraw/zinc/52/33/23/489523323.db2.gz SKDXSHRJYZLZIH-SWLSCSKDSA-N 2 0 366.437 0.900 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415493838 489524845 /nfs/dbraw/zinc/52/48/45/489524845.db2.gz MGKMZQDMZFVLEP-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415498888 489525482 /nfs/dbraw/zinc/52/54/82/489525482.db2.gz QMGZKQZPTSCBFW-CQSZACIVSA-N 2 0 366.437 0.915 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000415515260 489526371 /nfs/dbraw/zinc/52/63/71/489526371.db2.gz HTANMDDMTZBQRU-OAHLLOKOSA-N 2 0 361.490 0.474 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC000415557375 489529909 /nfs/dbraw/zinc/52/99/09/489529909.db2.gz HRICKKDDLMGNPV-UHFFFAOYSA-N 2 0 359.474 0.370 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843525 489533335 /nfs/dbraw/zinc/53/33/35/489533335.db2.gz JIFUIQVVDHRCDS-CABCVRRESA-N 2 0 367.494 0.191 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415601033 489534888 /nfs/dbraw/zinc/53/48/88/489534888.db2.gz PDSVDLGBBKKAPG-OAHLLOKOSA-N 2 0 361.490 0.927 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000415674632 489540913 /nfs/dbraw/zinc/54/09/13/489540913.db2.gz KCNBDRKDUJUESO-CQSZACIVSA-N 2 0 356.430 1.100 20 0 FCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCC[NH2+]1 ZINC000415716146 489544665 /nfs/dbraw/zinc/54/46/65/489544665.db2.gz ZUKQJGHKBTXGTR-IBGZPJMESA-N 2 0 362.474 0.880 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c2)CC1 ZINC000415747155 489549454 /nfs/dbraw/zinc/54/94/54/489549454.db2.gz URTFMEOIPGSYOY-UHFFFAOYSA-N 2 0 359.474 0.586 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C1C[NH2+]C1 ZINC000415743821 489549678 /nfs/dbraw/zinc/54/96/78/489549678.db2.gz NSGOTKPPOYROIN-UHFFFAOYSA-N 2 0 354.838 0.649 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC[NH+](C)C ZINC000415753486 489550115 /nfs/dbraw/zinc/55/01/15/489550115.db2.gz YMNADQNYNCJIBT-CVEARBPZSA-N 2 0 374.485 0.942 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000415767153 489551275 /nfs/dbraw/zinc/55/12/75/489551275.db2.gz YALHRFVOXLJXKG-PIIMJCKOSA-N 2 0 371.485 0.097 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000415782163 489552564 /nfs/dbraw/zinc/55/25/64/489552564.db2.gz KMWQNZMABXTLCA-OAHLLOKOSA-N 2 0 361.490 0.929 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000415791310 489553381 /nfs/dbraw/zinc/55/33/81/489553381.db2.gz RRKLEAYKKIOKSA-MRXNPFEDSA-N 2 0 361.490 0.616 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C[C@H]1[NH3+] ZINC000415837123 489557295 /nfs/dbraw/zinc/55/72/95/489557295.db2.gz YFPNACFCJSZKKP-BXUZGUMPSA-N 2 0 352.410 0.510 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415844909 489557995 /nfs/dbraw/zinc/55/79/95/489557995.db2.gz ZWQDFXSMOJIUDJ-GOSISDBHSA-N 2 0 374.485 0.758 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCO1 ZINC000415858428 489560012 /nfs/dbraw/zinc/56/00/12/489560012.db2.gz JPVQNLOFLJHFKO-GOSISDBHSA-N 2 0 374.485 0.840 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415998378 489567609 /nfs/dbraw/zinc/56/76/09/489567609.db2.gz UDAJSWJFWHFVRL-ZDUSSCGKSA-N 2 0 374.411 0.912 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426567628 489575781 /nfs/dbraw/zinc/57/57/81/489575781.db2.gz LMOSUTNCLZHOTO-IAGOWNOFSA-N 2 0 368.522 0.510 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)O1 ZINC000426591951 489576148 /nfs/dbraw/zinc/57/61/48/489576148.db2.gz AUNPESATJQHTJE-ZIAGYGMSSA-N 2 0 356.511 0.447 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000555674376 491265279 /nfs/dbraw/zinc/26/52/79/491265279.db2.gz BOYGUVRZPRYIQB-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000455663960 489597733 /nfs/dbraw/zinc/59/77/33/489597733.db2.gz YQQLCBQUVUOBLR-AWEZNQCLSA-N 2 0 352.483 0.754 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)C1 ZINC000427291647 489601557 /nfs/dbraw/zinc/60/15/57/489601557.db2.gz IIRIAIZJNCEXNH-SJLPKXTDSA-N 2 0 358.486 1.000 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)OC(C)(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000456060197 489606216 /nfs/dbraw/zinc/60/62/16/489606216.db2.gz ZFAGDDWKPKGUCN-KBPBESRZSA-N 2 0 358.527 0.693 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000555700649 491266828 /nfs/dbraw/zinc/26/68/28/491266828.db2.gz QBOWAOGALJFOMM-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000570817794 491266947 /nfs/dbraw/zinc/26/69/47/491266947.db2.gz BEQQBROZBGPRLM-UHFFFAOYSA-N 2 0 368.522 0.642 20 0 FCADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000416799125 489630067 /nfs/dbraw/zinc/63/00/67/489630067.db2.gz PDRXKEBDBSFHBQ-HZPDHXFCSA-N 2 0 353.511 0.618 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416943544 489634899 /nfs/dbraw/zinc/63/48/99/489634899.db2.gz CHGUNSFCUQRDBZ-GOSISDBHSA-N 2 0 369.554 0.718 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)ccn2)CC1 ZINC000416990217 489637945 /nfs/dbraw/zinc/63/79/45/489637945.db2.gz PEABYBXQGMOGAY-CYBMUJFWSA-N 2 0 356.421 0.615 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000417016136 489638717 /nfs/dbraw/zinc/63/87/17/489638717.db2.gz NRAIYVRYXSZTCU-ZFWWWQNUSA-N 2 0 367.519 0.847 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C(C)C ZINC000563763291 491268001 /nfs/dbraw/zinc/26/80/01/491268001.db2.gz RSDGWSVJDSLPNU-MRXNPFEDSA-N 2 0 356.511 0.450 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000417158004 489643894 /nfs/dbraw/zinc/64/38/94/489643894.db2.gz NLZDSFCJBAIJIE-KRWDZBQOSA-N 2 0 365.522 0.890 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000555730022 491268493 /nfs/dbraw/zinc/26/84/93/491268493.db2.gz BZWKXZUTFJEUJQ-KRWDZBQOSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000457502451 489647366 /nfs/dbraw/zinc/64/73/66/489647366.db2.gz FCFLROXLBLDICY-IAGOWNOFSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570840034 491268768 /nfs/dbraw/zinc/26/87/68/491268768.db2.gz RMPDYDXUNRSDSY-QGTPRVQTSA-N 2 0 358.486 0.998 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417360754 489649339 /nfs/dbraw/zinc/64/93/39/489649339.db2.gz BJODAFCNMFCROT-DLBZAZTESA-N 3 0 360.506 0.972 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417363217 489649359 /nfs/dbraw/zinc/64/93/59/489649359.db2.gz AQOCGIXXVXVNEG-QZTJIDSGSA-N 3 0 372.517 0.845 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417363584 489649829 /nfs/dbraw/zinc/64/98/29/489649829.db2.gz GAERHWZICGDZEE-GOSISDBHSA-N 3 0 360.506 0.987 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000555731966 491268828 /nfs/dbraw/zinc/26/88/28/491268828.db2.gz WHCOZYRXLISULJ-INIZCTEOSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622631 489651512 /nfs/dbraw/zinc/65/15/12/489651512.db2.gz QNRVSAYNTZHKNI-ROUUACIJSA-N 2 0 369.554 0.404 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417425998 489651549 /nfs/dbraw/zinc/65/15/49/489651549.db2.gz FNWNZTRKNSXSBO-VQHPVUNQSA-N 2 0 365.522 0.616 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417426688 489651833 /nfs/dbraw/zinc/65/18/33/489651833.db2.gz HFPHEBWTXURPLP-HZPDHXFCSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000417430840 489652599 /nfs/dbraw/zinc/65/25/99/489652599.db2.gz QDNMNCCYFPATPD-OAGGEKHMSA-N 2 0 353.511 0.698 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417429043 489652870 /nfs/dbraw/zinc/65/28/70/489652870.db2.gz MPDJOKRUNDFJAC-XHSDSOJGSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000417434028 489653381 /nfs/dbraw/zinc/65/33/81/489653381.db2.gz WJUSOGDLCWSICC-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417479843 489655704 /nfs/dbraw/zinc/65/57/04/489655704.db2.gz LCGJQNQDGIIZKA-KRWDZBQOSA-N 2 0 363.506 0.720 20 0 FCADRP C[NH+]1CCC(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417505013 489656210 /nfs/dbraw/zinc/65/62/10/489656210.db2.gz OBZVKIHZPZWLPR-AWEZNQCLSA-N 2 0 365.444 0.854 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582725 489658883 /nfs/dbraw/zinc/65/88/83/489658883.db2.gz JFDFSSLUYKBHEK-ZIAGYGMSSA-N 2 0 365.444 0.996 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H](C)C1 ZINC000417668888 489660945 /nfs/dbraw/zinc/66/09/45/489660945.db2.gz KRBLRGJLLCKAHE-IKGGRYGDSA-N 2 0 356.511 0.801 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000417663745 489661161 /nfs/dbraw/zinc/66/11/61/489661161.db2.gz AOQKSCCKLMQHCM-ULQDDVLXSA-N 2 0 355.527 0.326 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417674511 489661302 /nfs/dbraw/zinc/66/13/02/489661302.db2.gz ZPWCPLSFQCUAEI-DLBZAZTESA-N 2 0 355.527 0.328 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417823842 489667272 /nfs/dbraw/zinc/66/72/72/489667272.db2.gz APIUXKKSBAHLBX-ZFWWWQNUSA-N 2 0 355.280 0.643 20 0 FCADRP C[N@H+](CCNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000417834833 489668029 /nfs/dbraw/zinc/66/80/29/489668029.db2.gz VPDKKYPKKIBSAJ-UHFFFAOYSA-N 2 0 351.470 0.852 20 0 FCADRP O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417839223 489668201 /nfs/dbraw/zinc/66/82/01/489668201.db2.gz NMOCZETXVBUBPZ-MRXNPFEDSA-N 2 0 362.474 0.678 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000417847211 489668627 /nfs/dbraw/zinc/66/86/27/489668627.db2.gz AGUDAUYCKRPGNN-IJEWVQPXSA-N 2 0 351.495 0.641 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867471 489669039 /nfs/dbraw/zinc/66/90/39/489669039.db2.gz DIINYSAIVAMYMD-JKSUJKDBSA-N 2 0 353.511 0.461 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867464 489669126 /nfs/dbraw/zinc/66/91/26/489669126.db2.gz DIINYSAIVAMYMD-CVEARBPZSA-N 2 0 353.511 0.461 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417896890 489670009 /nfs/dbraw/zinc/67/00/09/489670009.db2.gz WFZULCDLYAZMSJ-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417913311 489671214 /nfs/dbraw/zinc/67/12/14/489671214.db2.gz PZGRXHNLNFMBSV-MSOLQXFVSA-N 2 0 367.538 0.349 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)nc2)CC1 ZINC000563809006 491270210 /nfs/dbraw/zinc/27/02/10/491270210.db2.gz DRTRWCGOCSAHPW-INIZCTEOSA-N 2 0 374.489 0.419 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418067205 489677226 /nfs/dbraw/zinc/67/72/26/489677226.db2.gz BHCTWSYUPVCHHX-SFHVURJKSA-N 2 0 364.490 0.813 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+](C2CC2)C1 ZINC000458404018 489681165 /nfs/dbraw/zinc/68/11/65/489681165.db2.gz AXTWBOFJGANIIY-HZPDHXFCSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000418172956 489682347 /nfs/dbraw/zinc/68/23/47/489682347.db2.gz BMAPYGXUVFMDFW-UCHQMPSGSA-N 2 0 365.522 0.839 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373329068 489683700 /nfs/dbraw/zinc/68/37/00/489683700.db2.gz UIUHDDBCZQHNGC-UHFFFAOYSA-N 2 0 364.494 0.936 20 0 FCADRP COC[C@]1(CNC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[NH2+]1 ZINC000418197817 489684165 /nfs/dbraw/zinc/68/41/65/489684165.db2.gz UECDRBIQUCVVLM-GOSISDBHSA-N 2 0 365.478 0.590 20 0 FCADRP CCOCCN1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000373353564 489684577 /nfs/dbraw/zinc/68/45/77/489684577.db2.gz ZZTBSKYSEPIUNG-UHFFFAOYSA-N 2 0 364.494 1.336 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429446087 489687753 /nfs/dbraw/zinc/68/77/53/489687753.db2.gz GMRVDUBFAGJAMK-HZPDHXFCSA-N 2 0 364.556 0.545 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000418297525 489689497 /nfs/dbraw/zinc/68/94/97/489689497.db2.gz LBHHVUJQQSJYCY-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP O=C(CNC(=O)NCC[C@H]1CCC[NH2+]C1)NCC[NH+]1CCCCCC1 ZINC000418343403 489692864 /nfs/dbraw/zinc/69/28/64/489692864.db2.gz JMPVLTATAYPJHD-MRXNPFEDSA-N 2 0 353.511 0.668 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418355636 489693304 /nfs/dbraw/zinc/69/33/04/489693304.db2.gz WYRHDXXKQAAMAO-QWHCGFSZSA-N 2 0 351.417 0.511 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418352167 489693610 /nfs/dbraw/zinc/69/36/10/489693610.db2.gz SLKJBCGJFYCUDO-MRXNPFEDSA-N 2 0 353.511 0.572 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418398350 489695865 /nfs/dbraw/zinc/69/58/65/489695865.db2.gz CRLPWJDHHAYKMT-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442210 489698308 /nfs/dbraw/zinc/69/83/08/489698308.db2.gz JGVOMFDSHWPXNY-JKSUJKDBSA-N 2 0 369.510 0.078 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418447865 489699108 /nfs/dbraw/zinc/69/91/08/489699108.db2.gz PXQQUFROVGNSQN-ZWKOTPCHSA-N 2 0 369.554 0.940 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418484778 489701892 /nfs/dbraw/zinc/70/18/92/489701892.db2.gz DRGUBEJQFJVTDW-IRXDYDNUSA-N 2 0 361.490 0.312 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000418565585 489707912 /nfs/dbraw/zinc/70/79/12/489707912.db2.gz VNTIAMPXUWEETF-JENIJYKNSA-N 2 0 362.474 0.507 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000418610263 489710449 /nfs/dbraw/zinc/71/04/49/489710449.db2.gz GRHLESZSEKSVPA-UPJWGTAASA-N 2 0 351.417 0.449 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418617887 489711419 /nfs/dbraw/zinc/71/14/19/489711419.db2.gz NREANXDEJKQJFY-CQSZACIVSA-N 2 0 365.444 0.995 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623401 489711795 /nfs/dbraw/zinc/71/17/95/489711795.db2.gz XCVZZVSRYMXHKK-RWMBFGLXSA-N 2 0 351.417 0.734 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418624630 489712633 /nfs/dbraw/zinc/71/26/33/489712633.db2.gz ZGPZPLNGMRKXNU-BFHYXJOUSA-N 2 0 363.428 0.510 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418634923 489713452 /nfs/dbraw/zinc/71/34/52/489713452.db2.gz GJAICFKWMVGJNP-STQMWFEESA-N 2 0 365.444 0.900 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000418629719 489713539 /nfs/dbraw/zinc/71/35/39/489713539.db2.gz CNHAEIYEOYBOQK-FUHWJXTLSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000489542010 489716607 /nfs/dbraw/zinc/71/66/07/489716607.db2.gz AAOIXSUPZYBTFM-QZTJIDSGSA-N 2 0 369.554 0.549 20 0 FCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000418733220 489720534 /nfs/dbraw/zinc/72/05/34/489720534.db2.gz VBKRYNFVNAPGDK-HOTGVXAUSA-N 2 0 353.511 0.795 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418755253 489723415 /nfs/dbraw/zinc/72/34/15/489723415.db2.gz FMAJCSVTBZHOLO-SFHVURJKSA-N 2 0 367.538 0.424 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418768278 489724098 /nfs/dbraw/zinc/72/40/98/489724098.db2.gz RNPVRBLDLMGZGU-SFHVURJKSA-N 2 0 369.554 0.670 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418794667 489728626 /nfs/dbraw/zinc/72/86/26/489728626.db2.gz RKXUVMUFCNHHGI-IEBWSBKVSA-N 2 0 362.474 0.301 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418821364 489738608 /nfs/dbraw/zinc/73/86/08/489738608.db2.gz QHXYLHMTXDVKDA-IRXDYDNUSA-N 2 0 362.474 0.209 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)[NH+](C)C)cc1 ZINC000418825176 489740721 /nfs/dbraw/zinc/74/07/21/489740721.db2.gz UERCKBFPVGPYRE-KURKYZTESA-N 2 0 358.486 0.782 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000418826670 489741297 /nfs/dbraw/zinc/74/12/97/489741297.db2.gz GHNBUXWDACKUEB-UONOGXRCSA-N 2 0 352.504 0.973 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829952 489742958 /nfs/dbraw/zinc/74/29/58/489742958.db2.gz FHOJWAOTRTXBAH-PXNSSMCTSA-N 2 0 360.502 0.781 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430597281 489749019 /nfs/dbraw/zinc/74/90/19/489749019.db2.gz ZSDNDWHWIGRSPT-UHFFFAOYSA-N 2 0 351.447 0.999 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418839899 489750303 /nfs/dbraw/zinc/75/03/03/489750303.db2.gz DTYLQAOJSAVYQW-QZTJIDSGSA-N 2 0 374.485 0.434 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1cccs1 ZINC000418840859 489751014 /nfs/dbraw/zinc/75/10/14/489751014.db2.gz YFTYQMUJQPBWMF-CYBMUJFWSA-N 2 0 352.504 0.973 20 0 FCADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613387 489753174 /nfs/dbraw/zinc/75/31/74/489753174.db2.gz WGPHWRHEXHPBHC-BRWVUGGUSA-N 2 0 368.522 0.485 20 0 FCADRP CC(C)[C@@](C)(CN)[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000570964377 491276669 /nfs/dbraw/zinc/27/66/69/491276669.db2.gz QSPDYCWFSAPQAQ-QGZVFWFLSA-N 2 0 370.519 0.346 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000418847245 489754231 /nfs/dbraw/zinc/75/42/31/489754231.db2.gz IXKFNUSABAXQFK-ROUUACIJSA-N 2 0 360.502 0.876 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000418848381 489754303 /nfs/dbraw/zinc/75/43/03/489754303.db2.gz LLEIVZQTMRSCSE-GDBMZVCRSA-N 2 0 360.458 0.426 20 0 FCADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618212 489755173 /nfs/dbraw/zinc/75/51/73/489755173.db2.gz RWDRFAAHMNHXAD-RDJZCZTQSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000430623923 489755821 /nfs/dbraw/zinc/75/58/21/489755821.db2.gz HKELVVSHDYADQQ-KRWDZBQOSA-N 2 0 352.523 0.951 20 0 FCADRP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630625 489757575 /nfs/dbraw/zinc/75/75/75/489757575.db2.gz ZCWDMJMICXXIIU-HNNXBMFYSA-N 2 0 364.515 0.817 20 0 FCADRP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430629547 489757599 /nfs/dbraw/zinc/75/75/99/489757599.db2.gz OOPHOKNBKQZHAE-CABCVRRESA-N 2 0 365.478 1.267 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000418852216 489757734 /nfs/dbraw/zinc/75/77/34/489757734.db2.gz QKIJEMRNXKZETR-KRWDZBQOSA-N 2 0 360.502 0.781 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418858804 489761291 /nfs/dbraw/zinc/76/12/91/489761291.db2.gz KAQDWWLVZDEHTE-KBPBESRZSA-N 2 0 350.488 0.822 20 0 FCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000430645160 489761680 /nfs/dbraw/zinc/76/16/80/489761680.db2.gz ZNBVBWCCDSZZLA-UHFFFAOYSA-N 2 0 372.513 0.936 20 0 FCADRP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646614 489761893 /nfs/dbraw/zinc/76/18/93/489761893.db2.gz WRRVHUSWAGJSAE-JKSUJKDBSA-N 2 0 374.489 0.059 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1 ZINC000418861475 489762233 /nfs/dbraw/zinc/76/22/33/489762233.db2.gz NAALIWCYQQSEKZ-KURKYZTESA-N 2 0 358.486 0.788 20 0 FCADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430646510 489762258 /nfs/dbraw/zinc/76/22/58/489762258.db2.gz WHXICVLVXDKXBI-KRWDZBQOSA-N 2 0 362.474 0.236 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418862816 489764138 /nfs/dbraw/zinc/76/41/38/489764138.db2.gz OUBZBZIPBUZUSJ-KURKYZTESA-N 2 0 356.470 0.760 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000418865433 489764295 /nfs/dbraw/zinc/76/42/95/489764295.db2.gz RXUQGUMQPCDOJS-CQSZACIVSA-N 2 0 350.488 0.951 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418867231 489765824 /nfs/dbraw/zinc/76/58/24/489765824.db2.gz URMCVPRSRYEELT-ZIAGYGMSSA-N 2 0 350.488 0.855 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)c1 ZINC000418867985 489765841 /nfs/dbraw/zinc/76/58/41/489765841.db2.gz VLWAVGFKDZJLLX-OIISXLGYSA-N 2 0 360.458 0.234 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418878648 489771333 /nfs/dbraw/zinc/77/13/33/489771333.db2.gz RIFAMZWDMCQFLN-GOSISDBHSA-N 2 0 374.485 0.770 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCO1 ZINC000418879704 489772652 /nfs/dbraw/zinc/77/26/52/489772652.db2.gz NXFLMHGWVBQNEG-LTIDMASMSA-N 2 0 366.506 0.189 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)c1 ZINC000418880271 489772790 /nfs/dbraw/zinc/77/27/90/489772790.db2.gz VAZSYBSUVRVLAK-MRXNPFEDSA-N 2 0 362.474 0.802 20 0 FCADRP CC(C)CN1CCN(C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000459871555 489775724 /nfs/dbraw/zinc/77/57/24/489775724.db2.gz SWMYCHVQPXRECG-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459894668 489783718 /nfs/dbraw/zinc/78/37/18/489783718.db2.gz IRJXHCQFHHXCQF-MOPGFXCFSA-N 2 0 372.513 0.987 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431030436 489785303 /nfs/dbraw/zinc/78/53/03/489785303.db2.gz MXFSQMZSLWKERM-UHFFFAOYSA-N 2 0 360.458 0.242 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418912546 489787394 /nfs/dbraw/zinc/78/73/94/489787394.db2.gz DGWQNBSXLKPRPU-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000459916799 489790864 /nfs/dbraw/zinc/79/08/64/489790864.db2.gz ITIHJYZHGYJCMG-BBWFWOEESA-N 2 0 368.522 0.497 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418921423 489792134 /nfs/dbraw/zinc/79/21/34/489792134.db2.gz JJSZWMLKHBWLPY-MKSNKDDYSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000418929726 489794227 /nfs/dbraw/zinc/79/42/27/489794227.db2.gz WYMKGCCBZTUIBC-MRXNPFEDSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000431280878 489798717 /nfs/dbraw/zinc/79/87/17/489798717.db2.gz CQMGUTGRJTYOIE-CVEARBPZSA-N 2 0 365.522 0.903 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1ccco1 ZINC000418947597 489800409 /nfs/dbraw/zinc/80/04/09/489800409.db2.gz SOBLCZPTJKOUGK-LSDHHAIUSA-N 2 0 350.463 0.847 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000459941946 489800610 /nfs/dbraw/zinc/80/06/10/489800610.db2.gz FCOXPUAEPINFTM-UHFFFAOYSA-N 2 0 366.506 0.111 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418951710 489802634 /nfs/dbraw/zinc/80/26/34/489802634.db2.gz JAENOHMMLBIPTC-HOTGVXAUSA-N 2 0 368.522 0.504 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1ccco1 ZINC000418952931 489802647 /nfs/dbraw/zinc/80/26/47/489802647.db2.gz ZBOZOLMVQIYFSS-GJZGRUSLSA-N 2 0 350.463 0.989 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccco1 ZINC000418952933 489802698 /nfs/dbraw/zinc/80/26/98/489802698.db2.gz ZBOZOLMVQIYFSS-HUUCEWRRSA-N 2 0 350.463 0.989 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418952941 489802870 /nfs/dbraw/zinc/80/28/70/489802870.db2.gz ZBWUFHBULBTOEV-BZSNNMDCSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000418955610 489803191 /nfs/dbraw/zinc/80/31/91/489803191.db2.gz XZJMDZNRMSLZHW-KBAYOESNSA-N 2 0 358.486 0.691 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418966247 489806336 /nfs/dbraw/zinc/80/63/36/489806336.db2.gz QCBQLRSRWHHDHM-QGZVFWFLSA-N 2 0 374.485 0.727 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1[NH3+] ZINC000418972602 489808173 /nfs/dbraw/zinc/80/81/73/489808173.db2.gz ZEGPAWSYSQDGDG-CRAIPNDOSA-N 2 0 374.485 0.583 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418981002 489809681 /nfs/dbraw/zinc/80/96/81/489809681.db2.gz GDBQNRQBVUTYHY-CZUORRHYSA-N 2 0 362.474 0.594 20 0 FCADRP CC(C)Nc1nc(NC[C@H](c2cccs2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000555895804 491280432 /nfs/dbraw/zinc/28/04/32/491280432.db2.gz BQBGHIYMTMXVPE-GFCCVEGCSA-N 2 0 365.507 0.138 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000459995464 489812899 /nfs/dbraw/zinc/81/28/99/489812899.db2.gz OIEMYZBUDFXGDC-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000459997769 489812989 /nfs/dbraw/zinc/81/29/89/489812989.db2.gz UDZYACVWAPLRAF-ROUUACIJSA-N 2 0 364.534 0.977 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000419003601 489814298 /nfs/dbraw/zinc/81/42/98/489814298.db2.gz DFIAVEZPPSOYPB-SFHVURJKSA-N 2 0 374.485 0.475 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005026 489814933 /nfs/dbraw/zinc/81/49/33/489814933.db2.gz RKUHUFALVYBTFC-LSDHHAIUSA-N 2 0 354.495 0.454 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419006121 489815486 /nfs/dbraw/zinc/81/54/86/489815486.db2.gz HBIBITNSCPDYJT-LBPRGKRZSA-N 2 0 352.866 0.884 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419020184 489820249 /nfs/dbraw/zinc/82/02/49/489820249.db2.gz RRTLYARTRJBTGM-SFHVURJKSA-N 2 0 374.485 0.393 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419027234 489823856 /nfs/dbraw/zinc/82/38/56/489823856.db2.gz ODJVJCQPXSAXPK-XHSDSOJGSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419028859 489824344 /nfs/dbraw/zinc/82/43/44/489824344.db2.gz QPWFEBBESWOXSF-KFWWJZLASA-N 2 0 354.495 0.045 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419030254 489825408 /nfs/dbraw/zinc/82/54/08/489825408.db2.gz SVVMWUAXXBMADF-BPKGMFCQSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419031990 489826398 /nfs/dbraw/zinc/82/63/98/489826398.db2.gz VXBHULWHPPHBRB-OLMMMNRUSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419034026 489827508 /nfs/dbraw/zinc/82/75/08/489827508.db2.gz YYIVQSXTFXNRSP-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]CCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419036656 489828697 /nfs/dbraw/zinc/82/86/97/489828697.db2.gz PKXJKYQKRCKTDV-UHFFFAOYSA-N 2 0 356.536 0.709 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000419040138 489829981 /nfs/dbraw/zinc/82/99/81/489829981.db2.gz MDHSTXUGNMSKEK-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419042013 489831113 /nfs/dbraw/zinc/83/11/13/489831113.db2.gz ORNNYKGSPHCELN-CYBMUJFWSA-N 2 0 359.430 0.138 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000460047342 489831702 /nfs/dbraw/zinc/83/17/02/489831702.db2.gz ZUEUOSPCHUBZTN-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419043389 489832270 /nfs/dbraw/zinc/83/22/70/489832270.db2.gz JLRCPGKIZMVJDR-NRSFXHEJSA-N 2 0 356.470 0.616 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419043470 489832329 /nfs/dbraw/zinc/83/23/29/489832329.db2.gz REDDMEOMNCSGNW-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419048162 489834375 /nfs/dbraw/zinc/83/43/75/489834375.db2.gz UTRJNKGHZAZSOE-PVAVHDDUSA-N 2 0 360.458 0.124 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419067864 489843043 /nfs/dbraw/zinc/84/30/43/489843043.db2.gz GZTSCTZVLSQLRT-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419069907 489844275 /nfs/dbraw/zinc/84/42/75/489844275.db2.gz JLSUEVLCSYZNJY-GOSISDBHSA-N 2 0 374.485 0.119 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419078648 489848549 /nfs/dbraw/zinc/84/85/49/489848549.db2.gz SWFWPZLICBFXMQ-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000419084890 489850514 /nfs/dbraw/zinc/85/05/14/489850514.db2.gz UZIXQYYAQPVGNI-QGZVFWFLSA-N 2 0 362.474 0.626 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000419100844 489855707 /nfs/dbraw/zinc/85/57/07/489855707.db2.gz CECJVJYXQTZDOE-ZIAGYGMSSA-N 2 0 372.391 0.984 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000460233985 489855815 /nfs/dbraw/zinc/85/58/15/489855815.db2.gz DVCVTJHLIIJUJZ-AEFFLSMTSA-N 2 0 356.511 0.489 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000419100841 489856393 /nfs/dbraw/zinc/85/63/93/489856393.db2.gz CECJVJYXQTZDOE-KBPBESRZSA-N 2 0 372.391 0.984 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000555923140 491283607 /nfs/dbraw/zinc/28/36/07/491283607.db2.gz ZCEOUNZTUXEFHJ-IRXDYDNUSA-N 2 0 369.554 0.221 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000419114242 489860970 /nfs/dbraw/zinc/86/09/70/489860970.db2.gz RMYXUMNTNDSEPJ-CVEARBPZSA-N 2 0 362.449 0.856 20 0 FCADRP CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433120263 489866238 /nfs/dbraw/zinc/86/62/38/489866238.db2.gz JKBSFJUKBMZURY-INIZCTEOSA-N 2 0 374.551 0.510 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000433121526 489868180 /nfs/dbraw/zinc/86/81/80/489868180.db2.gz RXQNDSLPHRPOST-UHFFFAOYSA-N 2 0 360.524 0.025 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420003427 489878526 /nfs/dbraw/zinc/87/85/26/489878526.db2.gz UZMVFPMCXIKAHK-KRWDZBQOSA-N 2 0 368.522 0.437 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C(C)C ZINC000420012523 489880585 /nfs/dbraw/zinc/88/05/85/489880585.db2.gz AYHKAXFODFJFMP-HUUCEWRRSA-N 2 0 356.511 0.793 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020274 489883209 /nfs/dbraw/zinc/88/32/09/489883209.db2.gz FBRGOAMOFKOWJA-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030615 489887451 /nfs/dbraw/zinc/88/74/51/489887451.db2.gz GOMRMXPKQOEFKL-ZFWWWQNUSA-N 2 0 366.462 0.399 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420039855 489889935 /nfs/dbraw/zinc/88/99/35/489889935.db2.gz OGZFDBIHTZOHAD-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420050589 489894045 /nfs/dbraw/zinc/89/40/45/489894045.db2.gz ZEJJDIAAOQADSN-SOUVJXGZSA-N 2 0 354.495 0.406 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062010 489899260 /nfs/dbraw/zinc/89/92/60/489899260.db2.gz MJAALQOMKDVYEQ-ZFWWWQNUSA-N 2 0 354.495 0.406 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)CC1 ZINC000420063841 489900003 /nfs/dbraw/zinc/90/00/03/489900003.db2.gz NXVCUPKOUHFZSV-DOTOQJQBSA-N 2 0 350.507 0.810 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433925899 489904726 /nfs/dbraw/zinc/90/47/26/489904726.db2.gz XCHOGXDGURPJEP-HOTGVXAUSA-N 2 0 351.495 0.642 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000564064571 491286362 /nfs/dbraw/zinc/28/63/62/491286362.db2.gz VGTZMDIIGALPOH-KRWDZBQOSA-N 2 0 365.522 0.572 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000564064572 491286508 /nfs/dbraw/zinc/28/65/08/491286508.db2.gz VGTZMDIIGALPOH-QGZVFWFLSA-N 2 0 365.522 0.572 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097684 489911125 /nfs/dbraw/zinc/91/11/25/489911125.db2.gz AFQJTXLYLKSDQH-RHSMWYFYSA-N 2 0 364.465 0.973 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000420106038 489914071 /nfs/dbraw/zinc/91/40/71/489914071.db2.gz REYWDMPLDFIFQO-QFBILLFUSA-N 2 0 366.506 0.063 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000420120714 489918806 /nfs/dbraw/zinc/91/88/06/489918806.db2.gz KBWSXDYCAWJOGA-GMRIPVOYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126510 489921704 /nfs/dbraw/zinc/92/17/04/489921704.db2.gz OHCLEFQVLDRHKO-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000420131257 489923559 /nfs/dbraw/zinc/92/35/59/489923559.db2.gz WZTOZSWQCWMKSR-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000420135776 489925480 /nfs/dbraw/zinc/92/54/80/489925480.db2.gz VRCNJFPDWSQKGX-ARFHVFGLSA-N 2 0 354.495 0.202 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420151162 489932600 /nfs/dbraw/zinc/93/26/00/489932600.db2.gz BBAHQEKKNDSGLL-OAHLLOKOSA-N 2 0 361.490 0.871 20 0 FCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420153571 489933456 /nfs/dbraw/zinc/93/34/56/489933456.db2.gz ZZJSNHRLDKSGAC-MAUKXSAKSA-N 2 0 373.501 0.871 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420171259 489939022 /nfs/dbraw/zinc/93/90/22/489939022.db2.gz ZEWYPPDZNNMAHB-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420173064 489939524 /nfs/dbraw/zinc/93/95/24/489939524.db2.gz WJBATKOJNNPQQJ-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000477073973 489939581 /nfs/dbraw/zinc/93/95/81/489939581.db2.gz VZZKDRQNSJRWQP-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477081557 489940044 /nfs/dbraw/zinc/94/00/44/489940044.db2.gz LZFKVAQKKCEDNZ-OAGGEKHMSA-N 2 0 356.511 0.448 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190268 489946677 /nfs/dbraw/zinc/94/66/77/489946677.db2.gz PHXKDWDSRAHGOM-CQSZACIVSA-N 2 0 368.503 0.133 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420195107 489948408 /nfs/dbraw/zinc/94/84/08/489948408.db2.gz SXJLBYHCNRVTIS-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420203342 489951370 /nfs/dbraw/zinc/95/13/70/489951370.db2.gz ODZLMTSGSAQGAO-NVXWUHKLSA-N 2 0 374.485 0.583 20 0 FCADRP C[C@]1(O)CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420205645 489952235 /nfs/dbraw/zinc/95/22/35/489952235.db2.gz NUWDXWMERIACPY-IBGZPJMESA-N 2 0 374.485 0.079 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000420210427 489953957 /nfs/dbraw/zinc/95/39/57/489953957.db2.gz HBAGCSGRCXHPFA-HOTGVXAUSA-N 2 0 366.437 0.039 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477263249 489954465 /nfs/dbraw/zinc/95/44/65/489954465.db2.gz JMGQKTKYOBOVRP-QAPCUYQASA-N 2 0 356.511 0.308 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000377772733 489956543 /nfs/dbraw/zinc/95/65/43/489956543.db2.gz QFSJJKKLBBDTPP-GOSISDBHSA-N 2 0 368.522 0.851 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000571185265 491291072 /nfs/dbraw/zinc/29/10/72/491291072.db2.gz PWTNBAZDRSOVSS-UHFFFAOYSA-N 2 0 373.501 0.763 20 0 FCADRP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324985 489963698 /nfs/dbraw/zinc/96/36/98/489963698.db2.gz HTJRGYGJPSGYBR-JENIJYKNSA-N 2 0 358.486 0.911 20 0 FCADRP O=C(C[C@H]1CSCC[NH2+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434880569 489964770 /nfs/dbraw/zinc/96/47/70/489964770.db2.gz PEAITPKWFSRUGY-INIZCTEOSA-N 3 0 363.531 0.805 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373806 489968617 /nfs/dbraw/zinc/96/86/17/489968617.db2.gz NGWMVYBKGMRXKS-IEBWSBKVSA-N 2 0 352.523 0.535 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000420408999 489972368 /nfs/dbraw/zinc/97/23/68/489972368.db2.gz VCPULKJJDTXMCB-MSOLQXFVSA-N 2 0 360.502 0.849 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000420445922 489978010 /nfs/dbraw/zinc/97/80/10/489978010.db2.gz AUASBAOKSKTXSG-UHFFFAOYSA-N 2 0 355.439 0.700 20 0 FCADRP CC(=O)N1c2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2C[C@H]1C ZINC000420446402 489978133 /nfs/dbraw/zinc/97/81/33/489978133.db2.gz BMIBMCWZNWLCEY-CYBMUJFWSA-N 2 0 368.503 0.672 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000377931439 489981746 /nfs/dbraw/zinc/98/17/46/489981746.db2.gz JGKBXAFQVZFIFM-KSZLIROESA-N 2 0 368.522 0.992 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420473207 489982599 /nfs/dbraw/zinc/98/25/99/489982599.db2.gz DGZZEINAJMKIJN-WFASDCNBSA-N 2 0 357.524 0.667 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477683516 489984084 /nfs/dbraw/zinc/98/40/84/489984084.db2.gz OQPWHOGVVPOIOO-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000477705240 489986303 /nfs/dbraw/zinc/98/63/03/489986303.db2.gz URJQLJGYICVBBO-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000477968632 489998485 /nfs/dbraw/zinc/99/84/85/489998485.db2.gz VMALJDWHCYCTHK-TXPKVOOTSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000463484272 490019728 /nfs/dbraw/zinc/01/97/28/490019728.db2.gz LFHKUXHHBJRIGO-UHFFFAOYSA-N 2 0 355.442 0.762 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)onc1N ZINC000439164514 490039093 /nfs/dbraw/zinc/03/90/93/490039093.db2.gz BXNWKMNGZGBQSE-CYBMUJFWSA-N 2 0 359.496 0.602 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378303093 490044027 /nfs/dbraw/zinc/04/40/27/490044027.db2.gz BTJDSPAJYWHLLA-HXUWFJFHSA-N 2 0 371.529 0.310 20 0 FCADRP CC(C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798062 490068092 /nfs/dbraw/zinc/06/80/92/490068092.db2.gz ZVFDRMMWUIKRNT-PMACEKPBSA-N 2 0 362.518 0.827 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000519810182 490086813 /nfs/dbraw/zinc/08/68/13/490086813.db2.gz LWUGMVOSNMMEDD-OAHLLOKOSA-N 2 0 353.511 0.618 20 0 FCADRP COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000564389790 491304518 /nfs/dbraw/zinc/30/45/18/491304518.db2.gz YZWDUGGXDOENFS-UHFFFAOYSA-N 2 0 354.476 0.638 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000520216894 490117271 /nfs/dbraw/zinc/11/72/71/490117271.db2.gz TULHLNIUYZLRTA-ZWKOTPCHSA-N 2 0 358.486 0.569 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000545337182 490119692 /nfs/dbraw/zinc/11/96/92/490119692.db2.gz UJKLSFPFFUOCKI-QGZVFWFLSA-N 2 0 356.511 0.709 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000479829411 490126543 /nfs/dbraw/zinc/12/65/43/490126543.db2.gz OTBDOKQWJDAGQE-SYMSYNOKSA-N 2 0 362.518 0.964 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000382757728 490128466 /nfs/dbraw/zinc/12/84/66/490128466.db2.gz RIIHQALKVLEHSB-SFHVURJKSA-N 2 0 358.486 0.789 20 0 FCADRP COC[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000390931634 490139087 /nfs/dbraw/zinc/13/90/87/490139087.db2.gz GFMVHAVFOXUHNA-HXUWFJFHSA-N 2 0 360.502 0.547 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556206799 491303078 /nfs/dbraw/zinc/30/30/78/491303078.db2.gz NXILGLPPOASTRR-MAUKXSAKSA-N 2 0 370.563 0.634 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272731 490156106 /nfs/dbraw/zinc/15/61/06/490156106.db2.gz UKNIZEZYJWMKSY-ZTENYAIWSA-N 2 0 366.506 0.223 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000506937885 490156776 /nfs/dbraw/zinc/15/67/76/490156776.db2.gz BBKSFZPTUFKHLU-INIZCTEOSA-N 2 0 356.511 0.753 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465964756 490158175 /nfs/dbraw/zinc/15/81/75/490158175.db2.gz ZTUURYFJOIAMDU-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465960091 490158968 /nfs/dbraw/zinc/15/89/68/490158968.db2.gz SMLHFBSJVZNHJJ-MRXNPFEDSA-N 2 0 355.527 0.803 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548747 490160216 /nfs/dbraw/zinc/16/02/16/490160216.db2.gz OQBMPWGFOFTFRY-CHWSQXEVSA-N 2 0 351.417 0.558 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548750 490160290 /nfs/dbraw/zinc/16/02/90/490160290.db2.gz OQBMPWGFOFTFRY-STQMWFEESA-N 2 0 351.417 0.558 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000545885427 490162986 /nfs/dbraw/zinc/16/29/86/490162986.db2.gz ZQLUGRUHKQMGRE-IBGZPJMESA-N 2 0 368.522 0.635 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401120 491305051 /nfs/dbraw/zinc/30/50/51/491305051.db2.gz PYNVTMUBRWYQIF-FUHWJXTLSA-N 2 0 362.522 0.811 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000422131654 490179935 /nfs/dbraw/zinc/17/99/35/490179935.db2.gz HHQLKNQJAOXJCH-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000422131653 490181281 /nfs/dbraw/zinc/18/12/81/490181281.db2.gz HHQLKNQJAOXJCH-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000422131651 490181478 /nfs/dbraw/zinc/18/14/78/490181478.db2.gz HHQLKNQJAOXJCH-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000520726516 490183963 /nfs/dbraw/zinc/18/39/63/490183963.db2.gz UMXYTEITIFIILN-ZWKOTPCHSA-N 2 0 366.554 0.044 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000466502801 490191718 /nfs/dbraw/zinc/19/17/18/490191718.db2.gz ITYJZFQYAVVRTE-IJEWVQPXSA-N 2 0 351.495 0.356 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000520834442 490196512 /nfs/dbraw/zinc/19/65/12/490196512.db2.gz BYZAKVCIKJWBOE-UHFFFAOYSA-N 2 0 362.522 0.733 20 0 FCADRP C[NH+](C)CC1(NC(=O)COCC(=O)NC2(C[NH+](C)C)CCC2)CCC1 ZINC000466578408 490196733 /nfs/dbraw/zinc/19/67/33/490196733.db2.gz RRCNKXXROQFWQP-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000571430062 491307658 /nfs/dbraw/zinc/30/76/58/491307658.db2.gz ZJNCXSOQXDORNO-IYBDPMFKSA-N 2 0 368.522 0.593 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422295742 490239568 /nfs/dbraw/zinc/23/95/68/490239568.db2.gz FWUYYNQVQLUGLX-OAHLLOKOSA-N 2 0 368.522 0.545 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000571483670 491311091 /nfs/dbraw/zinc/31/10/91/491311091.db2.gz JIMDIZMCDDTIOG-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521370748 490253246 /nfs/dbraw/zinc/25/32/46/490253246.db2.gz IFJPMTCZLPGZRI-DOTOQJQBSA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000521412808 490257853 /nfs/dbraw/zinc/25/78/53/490257853.db2.gz APQYNSLJVAPEOA-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000564543743 491313080 /nfs/dbraw/zinc/31/30/80/491313080.db2.gz LEPOINVOWPDIHP-MSOLQXFVSA-N 2 0 358.486 0.788 20 0 FCADRP [NH3+][C@H](CC(F)F)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498195080 490270054 /nfs/dbraw/zinc/27/00/54/490270054.db2.gz IEQKVTWVHAKPPA-CYBMUJFWSA-N 2 0 356.421 0.478 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000521648661 490285917 /nfs/dbraw/zinc/28/59/17/490285917.db2.gz KEYYTPUQCSCXIJ-MRXNPFEDSA-N 2 0 373.501 0.715 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498619652 490318656 /nfs/dbraw/zinc/31/86/56/490318656.db2.gz URAGNQIEAUUVKS-DLBZAZTESA-N 2 0 370.538 0.972 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CC1 ZINC000422456938 490331168 /nfs/dbraw/zinc/33/11/68/490331168.db2.gz RVVOGWBEKXXMEE-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456081 490331231 /nfs/dbraw/zinc/33/12/31/490331231.db2.gz PWYKCDNQNYRKIL-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000467704135 490332418 /nfs/dbraw/zinc/33/24/18/490332418.db2.gz HKWSVQNKJOZGHK-IYBDPMFKSA-N 2 0 354.495 0.108 20 0 FCADRP CO[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000522061026 490338014 /nfs/dbraw/zinc/33/80/14/490338014.db2.gz UENKRYWTKKKJCO-IRXDYDNUSA-N 2 0 361.490 0.558 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483753296 490342802 /nfs/dbraw/zinc/34/28/02/490342802.db2.gz YZTOFMPXPUEWAM-KRWDZBQOSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000508709284 490351811 /nfs/dbraw/zinc/35/18/11/490351811.db2.gz KJMPVSJXKOEBCY-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000498857593 490354589 /nfs/dbraw/zinc/35/45/89/490354589.db2.gz RFGSGMUVEFBLRB-GOSISDBHSA-N 2 0 362.518 0.945 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCCC[C@@H]1C ZINC000448488090 490356626 /nfs/dbraw/zinc/35/66/26/490356626.db2.gz OTQKWBWVVRCSKX-GJZGRUSLSA-N 2 0 364.494 0.762 20 0 FCADRP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000522258393 490359732 /nfs/dbraw/zinc/35/97/32/490359732.db2.gz QVUWKBNQXDYEQZ-JTDSTZFVSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)cnn1C ZINC000508777487 490359865 /nfs/dbraw/zinc/35/98/65/490359865.db2.gz FKDLZZYGZYZYBL-HNNXBMFYSA-N 2 0 357.524 0.765 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000571642253 491320377 /nfs/dbraw/zinc/32/03/77/491320377.db2.gz KHAOXFBLYLTKOK-KGLIPLIRSA-N 2 0 352.454 0.958 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422496347 490361289 /nfs/dbraw/zinc/36/12/89/490361289.db2.gz TZKWQCPQNHYVQW-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000522267922 490364385 /nfs/dbraw/zinc/36/43/85/490364385.db2.gz YCAMANUAMNZPHW-SFHVURJKSA-N 2 0 369.554 0.406 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000522308428 490368263 /nfs/dbraw/zinc/36/82/63/490368263.db2.gz MZCLMULFYPTLQC-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCCCC1 ZINC000571658703 491321239 /nfs/dbraw/zinc/32/12/39/491321239.db2.gz QKTIBQCJGQATMK-HUUCEWRRSA-N 2 0 351.495 0.594 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000498966765 490374222 /nfs/dbraw/zinc/37/42/22/490374222.db2.gz FKOMTHUODDTRIO-ROUUACIJSA-N 2 0 369.554 0.501 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000484161858 490390612 /nfs/dbraw/zinc/39/06/12/490390612.db2.gz MWEILJZGJMMXMV-RDJZCZTQSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000422539367 490393931 /nfs/dbraw/zinc/39/39/31/490393931.db2.gz KEFXUGZEFDUBIU-KRWDZBQOSA-N 2 0 358.486 0.733 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000449120694 490402440 /nfs/dbraw/zinc/40/24/40/490402440.db2.gz DSWVFHBARALEAK-ADKAHSJRSA-N 2 0 352.523 0.901 20 0 FCADRP CC1[C@@H](C(=O)N2CC[NH+](C)CC[C@@H]2C)[C@@H]1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000449856340 490431750 /nfs/dbraw/zinc/43/17/50/490431750.db2.gz MWYKHQLWGGBHBY-CWLKWCNXSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422637386 490438294 /nfs/dbraw/zinc/43/82/94/490438294.db2.gz ONTRATHHMMYVIW-RYTJFDOTSA-N 2 0 368.522 0.591 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000556666978 491326315 /nfs/dbraw/zinc/32/63/15/491326315.db2.gz YDDPRFRXNYWOBS-SFHVURJKSA-N 2 0 358.486 0.931 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210430 490448942 /nfs/dbraw/zinc/44/89/42/490448942.db2.gz ZEQABIPVQIVJFW-IRXDYDNUSA-N 2 0 367.538 0.959 20 0 FCADRP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000535097782 490456297 /nfs/dbraw/zinc/45/62/97/490456297.db2.gz YFNBQJMJSNAZIP-HOTGVXAUSA-N 2 0 359.536 0.827 20 0 FCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714586 490463603 /nfs/dbraw/zinc/46/36/03/490463603.db2.gz LDHSXUOMQFSXBH-QZTJIDSGSA-N 2 0 362.522 0.735 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000509811096 490467432 /nfs/dbraw/zinc/46/74/32/490467432.db2.gz JDQDTQALNNPHAC-INMHGKMJSA-N 2 0 356.511 0.339 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000468950119 490467779 /nfs/dbraw/zinc/46/77/79/490467779.db2.gz IVWJYCAODQUDGG-MRXNPFEDSA-N 2 0 366.506 0.478 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846246 490484426 /nfs/dbraw/zinc/48/44/26/490484426.db2.gz FEPIQQFWRBHWFS-LSDHHAIUSA-N 2 0 355.479 0.535 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422857116 490486556 /nfs/dbraw/zinc/48/65/56/490486556.db2.gz GYALCSLUASNJKM-IAGOWNOFSA-N 3 0 354.539 0.923 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCCC1 ZINC000571824266 491331225 /nfs/dbraw/zinc/33/12/25/491331225.db2.gz RKSWMWDSMYJYDW-UHFFFAOYSA-N 2 0 368.522 0.282 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000413578311 490504828 /nfs/dbraw/zinc/50/48/28/490504828.db2.gz YOXUEHSLTVSTGG-INIZCTEOSA-N 2 0 354.495 0.999 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676474 490511501 /nfs/dbraw/zinc/51/15/01/490511501.db2.gz NYNCIMUIRRZYRZ-OAHLLOKOSA-N 2 0 360.462 0.923 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422998223 490514290 /nfs/dbraw/zinc/51/42/90/490514290.db2.gz VZGXMLCJBGFPLQ-ZBFHGGJFSA-N 2 0 355.504 0.907 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473654 490520346 /nfs/dbraw/zinc/52/03/46/490520346.db2.gz RCQYMZXRMWIKFL-HKUYNNGSSA-N 2 0 352.523 0.772 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H](C[NH+](C)C)C1)C2 ZINC000510478384 490521509 /nfs/dbraw/zinc/52/15/09/490521509.db2.gz ZRULVHLSINTGFK-XYTVBORESA-N 2 0 365.522 0.663 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391185 490528234 /nfs/dbraw/zinc/52/82/34/490528234.db2.gz PSUCPKJRTFSKRT-CVEARBPZSA-N 2 0 353.511 0.557 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423055547 490531953 /nfs/dbraw/zinc/53/19/53/490531953.db2.gz DDYZQNAPINWTQD-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C(=O)CCC1=O ZINC000524319540 490532013 /nfs/dbraw/zinc/53/20/13/490532013.db2.gz IMIFXHMRNRPWAF-HNNXBMFYSA-N 2 0 373.457 0.247 20 0 FCADRP CN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423068301 490535103 /nfs/dbraw/zinc/53/51/03/490535103.db2.gz JONVPMSUZMLZRK-QGZVFWFLSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000485499885 490535648 /nfs/dbraw/zinc/53/56/48/490535648.db2.gz DRDOKNWBPRLWDV-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510807363 490541341 /nfs/dbraw/zinc/54/13/41/490541341.db2.gz BOCLPQJNFPJYOD-DLBZAZTESA-N 2 0 360.568 0.853 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)CC2)c1 ZINC000485808855 490560656 /nfs/dbraw/zinc/56/06/56/490560656.db2.gz AXNSGCCCJQJZQX-CQSZACIVSA-N 2 0 371.445 0.569 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000485847807 490563021 /nfs/dbraw/zinc/56/30/21/490563021.db2.gz RVFDAVLFSIAIEU-LMMKCTJWSA-N 2 0 364.534 0.724 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000564922546 491337149 /nfs/dbraw/zinc/33/71/49/491337149.db2.gz XEDQQCSSKAWJFO-QZTJIDSGSA-N 2 0 358.486 0.535 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](COC(F)F)C1 ZINC000556795379 491337586 /nfs/dbraw/zinc/33/75/86/491337586.db2.gz LWGWOSYAQOCJJP-ZDUSSCGKSA-N 2 0 364.437 0.026 20 0 FCADRP COc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000549603433 490591878 /nfs/dbraw/zinc/59/18/78/490591878.db2.gz DAATWRAPUMAYMD-NMWPEEMBSA-N 2 0 363.510 0.938 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000549877115 490613337 /nfs/dbraw/zinc/61/33/37/490613337.db2.gz DEPRWESDAIBGPN-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000550146621 490630982 /nfs/dbraw/zinc/63/09/82/490630982.db2.gz DKUSUCNUUBCERM-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP CC[C@H](C(=O)OC)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000511888956 490635128 /nfs/dbraw/zinc/63/51/28/490635128.db2.gz KDJLMXOEZMESFW-GOSISDBHSA-N 2 0 354.539 0.972 20 0 FCADRP C[NH+](C)C1(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000525823898 490639359 /nfs/dbraw/zinc/63/93/59/490639359.db2.gz XYDJSFKLOGGGGB-FQEVSTJZSA-N 2 0 361.486 0.850 20 0 FCADRP COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000550295658 490655923 /nfs/dbraw/zinc/65/59/23/490655923.db2.gz FMOCSEXHSAHHJQ-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000502019829 490667883 /nfs/dbraw/zinc/66/78/83/490667883.db2.gz SULGSCFRAHIEBR-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@H+](C)C1CC1 ZINC000572037387 491344677 /nfs/dbraw/zinc/34/46/77/491344677.db2.gz GKGWKVMRQGGEIQ-XYPHTWIQSA-N 2 0 366.506 0.079 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)Cc2ccccc2C1 ZINC000556996452 491347477 /nfs/dbraw/zinc/34/74/77/491347477.db2.gz MHZZXVLZPUFMFT-QGZVFWFLSA-N 2 0 370.497 0.555 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000527124058 490701000 /nfs/dbraw/zinc/70/10/00/490701000.db2.gz GVHRNBJNBBJGHH-UHFFFAOYSA-N 2 0 372.473 0.967 20 0 FCADRP COC(=O)c1sccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527124357 490701626 /nfs/dbraw/zinc/70/16/26/490701626.db2.gz OAYLEPPDWGMIAM-UHFFFAOYSA-N 2 0 370.475 0.425 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000527236138 490710497 /nfs/dbraw/zinc/71/04/97/490710497.db2.gz RQXOOHSJMZGTTC-WBVHZDCISA-N 2 0 365.478 0.752 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103741 491348723 /nfs/dbraw/zinc/34/87/23/491348723.db2.gz FDOVLMLRHZQJCX-QAPCUYQASA-N 2 0 358.486 0.739 20 0 FCADRP CN(CCC[N@H+](C)C1CCN(CCO)CC1)C1CC[NH+](CCO)CC1 ZINC000487452491 490714002 /nfs/dbraw/zinc/71/40/02/490714002.db2.gz XWVAFRLMKFKRSZ-UHFFFAOYSA-N 2 0 356.555 0.154 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238485 490716202 /nfs/dbraw/zinc/71/62/02/490716202.db2.gz MXUBHKUVUAMNJD-YYIAUSFCSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000557014720 491349592 /nfs/dbraw/zinc/34/95/92/491349592.db2.gz OUGXLXDIAUEEHJ-OAHLLOKOSA-N 2 0 356.511 0.402 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015092 491349777 /nfs/dbraw/zinc/34/97/77/491349777.db2.gz BFCQJIWTYSNGKR-SJORKVTESA-N 2 0 367.538 0.070 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210873 490766488 /nfs/dbraw/zinc/76/64/88/490766488.db2.gz KQYAPGASFDZWAW-QZTJIDSGSA-N 3 0 354.539 0.877 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000514661657 490778805 /nfs/dbraw/zinc/77/88/05/490778805.db2.gz KBXPVAPWAISKMZ-HUUCEWRRSA-N 2 0 360.458 0.906 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000565143078 491355392 /nfs/dbraw/zinc/35/53/92/491355392.db2.gz HXJYMYNMRURYLD-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000514924334 490798230 /nfs/dbraw/zinc/79/82/30/490798230.db2.gz AFDKLTJOOFSECU-QGZVFWFLSA-N 2 0 367.538 0.472 20 0 FCADRP COC[C@]1(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000514934631 490798723 /nfs/dbraw/zinc/79/87/23/490798723.db2.gz LSYQGMYQLLVEJT-NRFANRHFSA-N 2 0 374.529 0.889 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000515073948 490807746 /nfs/dbraw/zinc/80/77/46/490807746.db2.gz VQRXNWXRNCRBNA-CYBMUJFWSA-N 2 0 351.451 0.541 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604897 490811798 /nfs/dbraw/zinc/81/17/98/490811798.db2.gz PGQZTFDVLXBULT-BVBHFADKSA-N 2 0 361.486 0.298 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC000515346944 490820633 /nfs/dbraw/zinc/82/06/33/490820633.db2.gz HCPHOTLHCYCDQX-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872193 490842218 /nfs/dbraw/zinc/84/22/18/490842218.db2.gz VCJUAXOPWCUSIX-UBDQQSCGSA-N 2 0 371.485 0.603 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303545 490848784 /nfs/dbraw/zinc/84/87/84/490848784.db2.gz OIJXUOCYKPVZQM-CVEARBPZSA-N 2 0 353.511 0.569 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224458 491361510 /nfs/dbraw/zinc/36/15/10/491361510.db2.gz JENATBPKJNDRCU-APWZRJJASA-N 2 0 360.458 0.496 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000516167743 490853742 /nfs/dbraw/zinc/85/37/42/490853742.db2.gz UQUGHWDDVCBSHY-UHFFFAOYSA-N 2 0 365.453 0.331 20 0 FCADRP C[C@@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1 ZINC000541693200 490869272 /nfs/dbraw/zinc/86/92/72/490869272.db2.gz KBVQXWIISIWRPG-HZPDHXFCSA-N 2 0 359.474 0.625 20 0 FCADRP CCCc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000572339778 491363309 /nfs/dbraw/zinc/36/33/09/491363309.db2.gz XMCZQCLFCNINOY-UHFFFAOYSA-N 2 0 355.508 0.986 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000516922620 490884985 /nfs/dbraw/zinc/88/49/85/490884985.db2.gz KEVYBVPLKYRQKW-ZWKOTPCHSA-N 2 0 352.523 0.366 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000542168670 490887861 /nfs/dbraw/zinc/88/78/61/490887861.db2.gz STXZBZNFVDBTLP-KAKFPZCNSA-N 2 0 364.534 0.724 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000542180841 490888397 /nfs/dbraw/zinc/88/83/97/490888397.db2.gz JVHVSBZFPYZZBQ-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000516997201 490890052 /nfs/dbraw/zinc/89/00/52/490890052.db2.gz BYDRWQJBPQQDOE-OAHLLOKOSA-N 2 0 366.506 0.322 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000516997200 490890266 /nfs/dbraw/zinc/89/02/66/490890266.db2.gz BYDRWQJBPQQDOE-HNNXBMFYSA-N 2 0 366.506 0.322 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530238434 490895165 /nfs/dbraw/zinc/89/51/65/490895165.db2.gz AEJCRHNCKPIOFJ-ROUUACIJSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517341406 490904520 /nfs/dbraw/zinc/90/45/20/490904520.db2.gz LXENKAVQLQMOLP-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)ccc21 ZINC000565237000 491363510 /nfs/dbraw/zinc/36/35/10/491363510.db2.gz OTBPFAQCPDULII-CVEARBPZSA-N 2 0 355.442 0.374 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000542777818 490908492 /nfs/dbraw/zinc/90/84/92/490908492.db2.gz CCWGOKQUBDSPMG-NVXWUHKLSA-N 2 0 365.522 0.665 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)COC3CCC([NH3+])CC3)C2)CC1 ZINC000517563573 490912083 /nfs/dbraw/zinc/91/20/83/490912083.db2.gz UXDZHWWKJDVZQA-ADKAHSJRSA-N 2 0 352.523 0.900 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517719276 490917908 /nfs/dbraw/zinc/91/79/08/490917908.db2.gz OSPKJSJFEPKZKO-HXUWFJFHSA-N 2 0 373.545 0.951 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000517895535 490923798 /nfs/dbraw/zinc/92/37/98/490923798.db2.gz VEKIUSLMHKTBRL-HUUCEWRRSA-N 2 0 360.458 0.763 20 0 FCADRP CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000530880858 490929767 /nfs/dbraw/zinc/92/97/67/490929767.db2.gz UUWAVMINLJEKSW-UHFFFAOYSA-N 2 0 370.519 0.550 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CCN2C1=O ZINC000565251440 491365392 /nfs/dbraw/zinc/36/53/92/491365392.db2.gz SDXVFJMYOMJJDW-KFWWJZLASA-N 2 0 361.446 0.370 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000557288768 491365603 /nfs/dbraw/zinc/36/56/03/491365603.db2.gz ROJNKOOMRBUYEC-BPQIPLTHSA-N 2 0 358.486 0.820 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000565252987 491365969 /nfs/dbraw/zinc/36/59/69/491365969.db2.gz GNSUTALWUFPLPN-ROUUACIJSA-N 2 0 358.486 0.630 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252968 491366070 /nfs/dbraw/zinc/36/60/70/491366070.db2.gz FZXVTQIFIYOGPQ-PVAVHDDUSA-N 2 0 359.474 0.460 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518738561 490949573 /nfs/dbraw/zinc/94/95/73/490949573.db2.gz ZVJIQKIYMVSCDD-ZNMIVQPWSA-N 2 0 352.479 0.302 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000565256389 491366246 /nfs/dbraw/zinc/36/62/46/491366246.db2.gz ZJURSNJBKHCQBO-OAGGEKHMSA-N 2 0 365.522 0.840 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CCOCC2(C)C)CC1 ZINC000518813916 490952826 /nfs/dbraw/zinc/95/28/26/490952826.db2.gz DSNIUXIFLJHPFV-INIZCTEOSA-N 2 0 356.511 0.489 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)CC[C@@H]21 ZINC000518960824 490957078 /nfs/dbraw/zinc/95/70/78/490957078.db2.gz VVTBPKUWMDPPPG-XDNAFOTISA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970584 490957504 /nfs/dbraw/zinc/95/75/04/490957504.db2.gz JAUNKWXJDODRMB-BZUAXINKSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000531770667 490973334 /nfs/dbraw/zinc/97/33/34/490973334.db2.gz KGUCCXAVGUJWBB-ROUUACIJSA-N 3 0 369.554 0.499 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000544668636 490975060 /nfs/dbraw/zinc/97/50/60/490975060.db2.gz WTRJLVFQMOTVDW-RDJZCZTQSA-N 2 0 367.538 0.946 20 0 FCADRP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000519541565 490975280 /nfs/dbraw/zinc/97/52/80/490975280.db2.gz CPSRWWAJMLMLFF-IRXDYDNUSA-N 2 0 351.495 0.324 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000519635087 490980550 /nfs/dbraw/zinc/98/05/50/490980550.db2.gz RZKVMTRJTRFRLI-UHFFFAOYSA-N 2 0 351.495 0.324 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000532264884 490990101 /nfs/dbraw/zinc/99/01/01/490990101.db2.gz ZMXJSEQJRGMULI-BBWFWOEESA-N 2 0 354.495 0.384 20 0 FCADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562442361 491166120 /nfs/dbraw/zinc/16/61/20/491166120.db2.gz PUGCEZOGPBWIFA-LMMKCTJWSA-N 2 0 357.539 0.747 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)C1=O ZINC000562733779 491185401 /nfs/dbraw/zinc/18/54/01/491185401.db2.gz NAIPDNHCJKOORW-IXDOHACOSA-N 2 0 372.469 0.267 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000557346371 491368944 /nfs/dbraw/zinc/36/89/44/491368944.db2.gz HVDMHRRAXXTDBE-QGZVFWFLSA-N 2 0 369.554 0.175 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000557382225 491371780 /nfs/dbraw/zinc/37/17/80/491371780.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 2 0 369.554 0.317 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000557501379 491379162 /nfs/dbraw/zinc/37/91/62/491379162.db2.gz RWNQOKIWQNDKJK-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000673512512 493337917 /nfs/dbraw/zinc/33/79/17/493337917.db2.gz CVCOYKQPZCGXEB-ZBRFXRBCSA-N 2 0 353.507 0.788 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619457 491382016 /nfs/dbraw/zinc/38/20/16/491382016.db2.gz PSCHLZLJNBNGLB-SJORKVTESA-N 2 0 365.522 0.572 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557554531 491382152 /nfs/dbraw/zinc/38/21/52/491382152.db2.gz MPDKFALJADESOM-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565202 491383705 /nfs/dbraw/zinc/38/37/05/491383705.db2.gz XEOQMTIENWIZDC-ZBFHGGJFSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1=CC[N@H+](C)CC1 ZINC000572667406 491386001 /nfs/dbraw/zinc/38/60/01/491386001.db2.gz WVMVIYDYOFIUBM-CXAGYDPISA-N 2 0 354.520 0.307 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC000673514469 493339412 /nfs/dbraw/zinc/33/94/12/493339412.db2.gz GZXSEUYZSHDOSO-WOJBJXKFSA-N 2 0 372.513 0.715 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CCN1C ZINC000660281352 493339468 /nfs/dbraw/zinc/33/94/68/493339468.db2.gz XRIOPDTZOSFLPQ-GJZGRUSLSA-N 2 0 362.478 0.023 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000565672250 491393081 /nfs/dbraw/zinc/39/30/81/491393081.db2.gz ZFMXLGNALQBTAK-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000572857260 491398027 /nfs/dbraw/zinc/39/80/27/491398027.db2.gz RTQBFYPTQWMKTO-HNNXBMFYSA-N 2 0 361.446 0.384 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885616 491399662 /nfs/dbraw/zinc/39/96/62/491399662.db2.gz HNXCETJMXGZLKP-ZWKOTPCHSA-N 2 0 372.517 0.837 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904610 491404647 /nfs/dbraw/zinc/40/46/47/491404647.db2.gz JDEKQANPOUMASC-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)cc2)[nH]1 ZINC000566067719 491415745 /nfs/dbraw/zinc/41/57/45/491415745.db2.gz YCDINRUUXPKAMF-NSHDSACASA-N 2 0 352.402 0.983 20 0 FCADRP CC(C)(CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000566166078 491421810 /nfs/dbraw/zinc/42/18/10/491421810.db2.gz YBQJEHAPCCTNPG-KRWDZBQOSA-N 2 0 358.486 0.808 20 0 FCADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000566180280 491423318 /nfs/dbraw/zinc/42/33/18/491423318.db2.gz APNZADNHBNSLIO-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000566193850 491424647 /nfs/dbraw/zinc/42/46/47/491424647.db2.gz NLGGEXZQTUNQAT-HNNXBMFYSA-N 2 0 350.467 0.385 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000573313644 491425861 /nfs/dbraw/zinc/42/58/61/491425861.db2.gz FCXLUWJMRZMYSM-UHFFFAOYSA-N 2 0 364.494 0.875 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000566244932 491430090 /nfs/dbraw/zinc/43/00/90/491430090.db2.gz COLXYVPXLUZJJY-ZIAGYGMSSA-N 2 0 366.487 0.594 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244176 491430159 /nfs/dbraw/zinc/43/01/59/491430159.db2.gz DBNSWYGNEDVJTQ-WCIQWLHISA-N 3 0 374.529 0.498 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000573429824 491432709 /nfs/dbraw/zinc/43/27/09/491432709.db2.gz GQYRYCKYONOZSU-FHULIHMCSA-N 2 0 350.507 0.665 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000573429825 491432771 /nfs/dbraw/zinc/43/27/71/491432771.db2.gz GQYRYCKYONOZSU-FQMQPWHVSA-N 2 0 350.507 0.665 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000566288850 491433182 /nfs/dbraw/zinc/43/31/82/491433182.db2.gz NCURUQFPUVKXFR-OAGGEKHMSA-N 2 0 364.494 0.649 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000566479809 491446758 /nfs/dbraw/zinc/44/67/58/491446758.db2.gz BRUJNTILMCZNLG-GOSISDBHSA-N 2 0 372.469 0.942 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496567 491449002 /nfs/dbraw/zinc/44/90/02/491449002.db2.gz SAUHAULPYJQSRS-KZNAEPCWSA-N 2 0 356.470 0.669 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566562120 491453209 /nfs/dbraw/zinc/45/32/09/491453209.db2.gz HQMCQXVBBWLLSI-QYZOEREBSA-N 3 0 360.502 0.061 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566728277 491462807 /nfs/dbraw/zinc/46/28/07/491462807.db2.gz VHPIWHHZRUBSCW-DLBZAZTESA-N 2 0 359.474 0.634 20 0 FCADRP Cn1cnnc1COCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000559357141 491466921 /nfs/dbraw/zinc/46/69/21/491466921.db2.gz JBZZTRUBIZGBRW-UHFFFAOYSA-N 2 0 373.461 0.055 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000559410601 491470300 /nfs/dbraw/zinc/47/03/00/491470300.db2.gz AEDIPDNMLPBLBN-GOSISDBHSA-N 2 0 360.502 0.876 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574035833 491470403 /nfs/dbraw/zinc/47/04/03/491470403.db2.gz CBVWBWVSHSUPEN-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574035834 491470455 /nfs/dbraw/zinc/47/04/55/491470455.db2.gz CBVWBWVSHSUPEN-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP C[N@H+](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000566912935 491474773 /nfs/dbraw/zinc/47/47/73/491474773.db2.gz NCUCWSMWVCZOHE-INIZCTEOSA-N 2 0 350.438 0.632 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145930 491477159 /nfs/dbraw/zinc/47/71/59/491477159.db2.gz QZVCTALNRCEEKQ-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000574224373 491482449 /nfs/dbraw/zinc/48/24/49/491482449.db2.gz NEUHXTZHIWKJJI-UHFFFAOYSA-N 2 0 354.495 0.014 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559574786 491482547 /nfs/dbraw/zinc/48/25/47/491482547.db2.gz NCHQEVBGXZZWKU-INIZCTEOSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567062558 491483711 /nfs/dbraw/zinc/48/37/11/491483711.db2.gz ANNWHVVVOIUAOY-ZWKOTPCHSA-N 2 0 373.501 0.980 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000574262791 491484468 /nfs/dbraw/zinc/48/44/68/491484468.db2.gz SIWICNWAKOGPQV-QGZVFWFLSA-N 2 0 365.522 0.001 20 0 FCADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567139119 491488307 /nfs/dbraw/zinc/48/83/07/491488307.db2.gz DSOSIRIQONRPQZ-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339811 491490515 /nfs/dbraw/zinc/49/05/15/491490515.db2.gz VYKHAWDRZRPJGL-YLJYHZDGSA-N 2 0 374.485 0.886 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000574446543 491497195 /nfs/dbraw/zinc/49/71/95/491497195.db2.gz FBODPZFYGQPGIM-JKSUJKDBSA-N 2 0 355.527 0.957 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000559762457 491497394 /nfs/dbraw/zinc/49/73/94/491497394.db2.gz GCMRZZQBJDXFLM-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567356388 491501725 /nfs/dbraw/zinc/50/17/25/491501725.db2.gz JRQLGPMIUZDUGO-IEBWSBKVSA-N 3 0 352.523 0.805 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000567374661 491502549 /nfs/dbraw/zinc/50/25/49/491502549.db2.gz HLKJDOUFNRPBPT-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868680 491506755 /nfs/dbraw/zinc/50/67/55/491506755.db2.gz TUQQWBPKODZGEE-CRAIPNDOSA-N 2 0 368.547 0.484 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559904187 491509190 /nfs/dbraw/zinc/50/91/90/491509190.db2.gz NABANBQRKBIASK-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488052 491509441 /nfs/dbraw/zinc/50/94/41/491509441.db2.gz DNCJJRASMHPVFF-NJAFHUGGSA-N 2 0 373.501 0.850 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000559923077 491510005 /nfs/dbraw/zinc/51/00/05/491510005.db2.gz PFWMQOWOWZHCCK-KRWDZBQOSA-N 2 0 368.522 0.261 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560021427 491515693 /nfs/dbraw/zinc/51/56/93/491515693.db2.gz AFDNCNNAWCTCLW-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000560026994 491516503 /nfs/dbraw/zinc/51/65/03/491516503.db2.gz YTGXVIXHGCXICH-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567605719 491517383 /nfs/dbraw/zinc/51/73/83/491517383.db2.gz BKWNQZIUPLEUNR-WMZOPIPTSA-N 2 0 351.491 0.798 20 0 FCADRP Cc1cccn2cc(CC(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)nc12 ZINC000574751572 491517660 /nfs/dbraw/zinc/51/76/60/491517660.db2.gz ZXHGREKKTKXZBR-KRWDZBQOSA-N 2 0 369.469 0.997 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000567811572 491531735 /nfs/dbraw/zinc/53/17/35/491531735.db2.gz WHBUVDRZWMUJLN-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000567861792 491535489 /nfs/dbraw/zinc/53/54/89/491535489.db2.gz ZIBNPLMZMRFNMG-UHFFFAOYSA-N 2 0 369.535 0.826 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567982565 491544521 /nfs/dbraw/zinc/54/45/21/491544521.db2.gz BGUBVDHICUXVLA-IEBWSBKVSA-N 2 0 352.523 0.759 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567982564 491544642 /nfs/dbraw/zinc/54/46/42/491544642.db2.gz BGUBVDHICUXVLA-HKUYNNGSSA-N 2 0 352.523 0.759 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000560596922 491546499 /nfs/dbraw/zinc/54/64/99/491546499.db2.gz YWTGALVHYWTKMG-VVLHAWIVSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC12CCC2 ZINC000560637394 491548014 /nfs/dbraw/zinc/54/80/14/491548014.db2.gz DGLPTVCZTUZWBL-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321355 491548893 /nfs/dbraw/zinc/54/88/93/491548893.db2.gz YLOQAPUNRUZXTA-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000560733127 491554301 /nfs/dbraw/zinc/55/43/01/491554301.db2.gz PGPYUIJEWAMJMT-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(F)cc1 ZINC000575818488 491563041 /nfs/dbraw/zinc/56/30/41/491563041.db2.gz MUVQMWWSULEHSB-UHFFFAOYSA-N 2 0 352.454 0.436 20 0 FCADRP CN(CCC1CCOCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000575847976 491565055 /nfs/dbraw/zinc/56/50/55/491565055.db2.gz IDVROIVXGVXVPU-UHFFFAOYSA-N 2 0 356.511 0.213 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000584396559 491586354 /nfs/dbraw/zinc/58/63/54/491586354.db2.gz RIJFJTWHEGADIX-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568565945 491586999 /nfs/dbraw/zinc/58/69/99/491586999.db2.gz ZQJHLPKGMIYYME-RDJZCZTQSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000561257111 491590547 /nfs/dbraw/zinc/59/05/47/491590547.db2.gz GUSMZYCJBSGUKV-CJNGLKHVSA-N 2 0 350.438 0.742 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000576293250 491602568 /nfs/dbraw/zinc/60/25/68/491602568.db2.gz NXJBPPATVIQWIU-ROUUACIJSA-N 2 0 358.486 0.630 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000577359768 491614251 /nfs/dbraw/zinc/61/42/51/491614251.db2.gz XQGOTDWEEIYZOS-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000577371055 491615732 /nfs/dbraw/zinc/61/57/32/491615732.db2.gz KFZUBZKTVMQNRN-OAGGEKHMSA-N 2 0 366.506 0.202 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000576469180 491617370 /nfs/dbraw/zinc/61/73/70/491617370.db2.gz NJEJGPCPNGBGOB-UHFFFAOYSA-N 2 0 364.465 0.650 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000577574817 491633241 /nfs/dbraw/zinc/63/32/41/491633241.db2.gz BUTPQWYMHHKJOW-MRXNPFEDSA-N 2 0 356.511 0.849 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000569104396 491634061 /nfs/dbraw/zinc/63/40/61/491634061.db2.gz FNBYWLYHMDIMQT-UHFFFAOYSA-N 2 0 354.476 0.649 20 0 FCADRP C[C@H](Cc1ccccc1F)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569146534 491638174 /nfs/dbraw/zinc/63/81/74/491638174.db2.gz ROLHKITZJHIRSP-OAHLLOKOSA-N 2 0 366.481 0.825 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577637705 491639004 /nfs/dbraw/zinc/63/90/04/491639004.db2.gz BGLCPDRTGFIYBS-LNLFQRSKSA-N 2 0 353.470 0.869 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000577649793 491640396 /nfs/dbraw/zinc/64/03/96/491640396.db2.gz PVOHWXGDSQNFER-UHFFFAOYSA-N 2 0 364.465 0.928 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000576787467 491644829 /nfs/dbraw/zinc/64/48/29/491644829.db2.gz ZZSPEQDHIYPRGH-GOEBONIOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440176 491661734 /nfs/dbraw/zinc/66/17/34/491661734.db2.gz QOWVYRUJQGHTIJ-VYDXJSESSA-N 2 0 363.506 0.323 20 0 FCADRP CO[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097301 491669881 /nfs/dbraw/zinc/66/98/81/491669881.db2.gz QZTHJEKESQUKSS-HOTGVXAUSA-N 2 0 368.522 0.401 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000578156899 491670961 /nfs/dbraw/zinc/67/09/61/491670961.db2.gz GKWYQRRLEPBHKG-OAGGEKHMSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578504386 491678619 /nfs/dbraw/zinc/67/86/19/491678619.db2.gz BSOMOYHLDARNPZ-JKSUJKDBSA-N 2 0 363.510 0.804 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000578966994 491687917 /nfs/dbraw/zinc/68/79/17/491687917.db2.gz PWJIIQHJHQRQBB-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000578996739 491688628 /nfs/dbraw/zinc/68/86/28/491688628.db2.gz RWRNLBJAJUMISS-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210960 491693157 /nfs/dbraw/zinc/69/31/57/491693157.db2.gz ALFJKYFWFKXLOO-RTBURBONSA-N 2 0 359.518 0.848 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253186 491694073 /nfs/dbraw/zinc/69/40/73/491694073.db2.gz LBXLKBHFWXAPSQ-BBRMVZONSA-N 2 0 367.453 0.296 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000579261081 491694272 /nfs/dbraw/zinc/69/42/72/491694272.db2.gz YKYMSBYCZBKSIW-HNNXBMFYSA-N 2 0 361.490 0.619 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579618142 491701683 /nfs/dbraw/zinc/70/16/83/491701683.db2.gz ZDFCAEFPBIUPFB-GASCZTMLSA-N 2 0 354.495 0.202 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000579936580 491710130 /nfs/dbraw/zinc/71/01/30/491710130.db2.gz XHOQQNFLQPOUHH-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580053986 491714951 /nfs/dbraw/zinc/71/49/51/491714951.db2.gz SUDNXAPAMMZIMF-BQFCYCMXSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000580125460 491718746 /nfs/dbraw/zinc/71/87/46/491718746.db2.gz KWUZZPCOGZUHAT-LZWOXQAQSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000580429598 491730766 /nfs/dbraw/zinc/73/07/66/491730766.db2.gz UDBNYJRTBDMVMC-KRWDZBQOSA-N 2 0 372.513 0.878 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000580910238 491751446 /nfs/dbraw/zinc/75/14/46/491751446.db2.gz IMGCUVNTQDGSSU-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000589220990 491757670 /nfs/dbraw/zinc/75/76/70/491757670.db2.gz WSCWMSWTLKJVMP-HOTGVXAUSA-N 2 0 355.527 0.959 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000581205574 491764179 /nfs/dbraw/zinc/76/41/79/491764179.db2.gz CBLCBIVRPJGYFY-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCO[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000581448336 491773322 /nfs/dbraw/zinc/77/33/22/491773322.db2.gz OGFQACCSCFDZKR-CVEARBPZSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000581459491 491773927 /nfs/dbraw/zinc/77/39/27/491773927.db2.gz UVNPPYJRUHQPSV-UHFFFAOYSA-N 2 0 372.473 1.392 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)nn1 ZINC000581485442 491774519 /nfs/dbraw/zinc/77/45/19/491774519.db2.gz VFUQGBXEBJOOHB-UHFFFAOYSA-N 2 0 372.473 0.854 20 0 FCADRP CN1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccn2)CC1 ZINC000581483366 491774614 /nfs/dbraw/zinc/77/46/14/491774614.db2.gz HTQIBXYVFLPHCQ-HUUCEWRRSA-N 2 0 360.462 0.861 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000581809783 491786202 /nfs/dbraw/zinc/78/62/02/491786202.db2.gz RSBOJXLJZBOODN-MAUKXSAKSA-N 2 0 364.490 0.610 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581895890 491789341 /nfs/dbraw/zinc/78/93/41/491789341.db2.gz RXFGDHHDPZPJNZ-JYJNAYRXSA-N 2 0 351.495 0.450 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCc2ccccc2C1 ZINC000591085734 491795793 /nfs/dbraw/zinc/79/57/93/491795793.db2.gz WGZFDSXWCWCNJX-UHFFFAOYSA-N 2 0 354.520 0.715 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000582110675 491798264 /nfs/dbraw/zinc/79/82/64/491798264.db2.gz HOSAQCTXLNNPGZ-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000582120168 491798704 /nfs/dbraw/zinc/79/87/04/491798704.db2.gz IUALVHKAHDZYCS-HNNXBMFYSA-N 2 0 352.479 0.006 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000582141618 491800141 /nfs/dbraw/zinc/80/01/41/491800141.db2.gz ZQZJQPIRPNFBDU-INIZCTEOSA-N 2 0 374.485 0.261 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591627885 491813291 /nfs/dbraw/zinc/81/32/91/491813291.db2.gz MFJJOZLCFNEIAP-UHFFFAOYSA-N 2 0 356.511 0.851 20 0 FCADRP CN1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000582655790 491821279 /nfs/dbraw/zinc/82/12/79/491821279.db2.gz HNJSNNJQBJZNDX-CGTJXYLNSA-N 2 0 363.481 0.803 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932884 491832947 /nfs/dbraw/zinc/83/29/47/491832947.db2.gz WOZXQXLZACXNKB-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000583260702 491841022 /nfs/dbraw/zinc/84/10/22/491841022.db2.gz ZGGFVLFRAQTYAT-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1 ZINC000583435527 491844767 /nfs/dbraw/zinc/84/47/67/491844767.db2.gz KHMSWGNWRGOWCQ-QGZVFWFLSA-N 2 0 372.473 0.648 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000583529219 491846898 /nfs/dbraw/zinc/84/68/98/491846898.db2.gz CJADFXPLDFSRNL-HZPDHXFCSA-N 2 0 361.490 0.798 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583578110 491847888 /nfs/dbraw/zinc/84/78/88/491847888.db2.gz BXLGHCFELICFHM-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000583629900 491848857 /nfs/dbraw/zinc/84/88/57/491848857.db2.gz RKRNCDRPXCWYDJ-HZPDHXFCSA-N 2 0 362.478 0.267 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583687790 491849960 /nfs/dbraw/zinc/84/99/60/491849960.db2.gz VHSTUNIOVHTOOV-SJLPKXTDSA-N 2 0 362.518 0.779 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583742771 491850940 /nfs/dbraw/zinc/85/09/40/491850940.db2.gz CYQWQOSXVPYFFV-ARFHVFGLSA-N 2 0 351.495 0.357 20 0 FCADRP CC(=O)N1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000583811768 491852599 /nfs/dbraw/zinc/85/25/99/491852599.db2.gz WLNKAMHTFQZDDI-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000583862120 491853556 /nfs/dbraw/zinc/85/35/56/491853556.db2.gz CKGHNHPIFLZGPM-ZFWWWQNUSA-N 2 0 352.479 0.302 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000583881055 491854106 /nfs/dbraw/zinc/85/41/06/491854106.db2.gz QREQHFXKHUQFEM-ZWKOTPCHSA-N 2 0 371.485 0.810 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583921934 491854772 /nfs/dbraw/zinc/85/47/72/491854772.db2.gz WGOHGZCVRIMPMT-CALCHBBNSA-N 2 0 362.518 0.827 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1N ZINC000583982496 491855949 /nfs/dbraw/zinc/85/59/49/491855949.db2.gz ZLPWOWIUNQDRMW-UHFFFAOYSA-N 2 0 351.451 0.168 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000584002930 491856387 /nfs/dbraw/zinc/85/63/87/491856387.db2.gz PRXMIZQKMDPLBF-QGZVFWFLSA-N 2 0 354.564 0.958 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079036 491858075 /nfs/dbraw/zinc/85/80/75/491858075.db2.gz KYEPDXOWUHIFCU-JYYAWHABSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649019 491865150 /nfs/dbraw/zinc/86/51/50/491865150.db2.gz LYACCWURWLTPRT-KDOFPFPSSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000595263270 491908586 /nfs/dbraw/zinc/90/85/86/491908586.db2.gz RMAGFJDYDWHJJV-BYNSBNAKSA-N 2 0 363.462 0.662 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1nnc2n1CCC2 ZINC000612294073 491909083 /nfs/dbraw/zinc/90/90/83/491909083.db2.gz LSDWCXDNKDICJC-UHFFFAOYSA-N 2 0 351.499 0.639 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595266487 491909251 /nfs/dbraw/zinc/90/92/51/491909251.db2.gz WYSUCGSMPHZBKX-FZKCQIBNSA-N 2 0 351.495 0.308 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000612549467 491933094 /nfs/dbraw/zinc/93/30/94/491933094.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 2 0 367.538 0.071 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000612548710 491933173 /nfs/dbraw/zinc/93/31/73/491933173.db2.gz QIEYXWDOWRRFOT-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599630 491937776 /nfs/dbraw/zinc/93/77/76/491937776.db2.gz ZQSMTANEXCCTSS-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612930411 491958825 /nfs/dbraw/zinc/95/88/25/491958825.db2.gz NNQIZDHIBDLDCD-HVEKOLDVSA-N 2 0 373.505 0.460 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612972306 491960347 /nfs/dbraw/zinc/96/03/47/491960347.db2.gz WWZXIYXBZVQQGE-KRWDZBQOSA-N 2 0 373.501 0.919 20 0 FCADRP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595977507 491967714 /nfs/dbraw/zinc/96/77/14/491967714.db2.gz LMMCVCQHBAVWAJ-NVXWUHKLSA-N 2 0 374.533 0.960 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)[nH]n1 ZINC000613259045 491975241 /nfs/dbraw/zinc/97/52/41/491975241.db2.gz CGXBSEXMVHPENZ-UHFFFAOYSA-N 2 0 352.483 0.457 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506297 491990358 /nfs/dbraw/zinc/99/03/58/491990358.db2.gz NDSSUZXSMODVMA-VQTJNVASSA-N 2 0 373.545 0.684 20 0 FCADRP CCOC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)on1 ZINC000602695190 491995605 /nfs/dbraw/zinc/99/56/05/491995605.db2.gz LUQFWPQEQPFCQA-UHFFFAOYSA-N 2 0 366.462 0.738 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653347 492066848 /nfs/dbraw/zinc/06/68/48/492066848.db2.gz QIKQOWMZSJPQMM-IRXDYDNUSA-N 2 0 353.511 0.034 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000598253215 492090356 /nfs/dbraw/zinc/09/03/56/492090356.db2.gz IYEGAFTVMHNQCN-HZPDHXFCSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC(C[NH+](C)C)C3)C2)C1 ZINC000615505125 492092801 /nfs/dbraw/zinc/09/28/01/492092801.db2.gz NSZZUOWCOSCLQZ-HDICACEKSA-N 2 0 364.534 0.833 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000606684777 492126135 /nfs/dbraw/zinc/12/61/35/492126135.db2.gz MZWJEPJJEYAICL-QGZVFWFLSA-N 2 0 367.538 0.911 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000599091500 492134551 /nfs/dbraw/zinc/13/45/51/492134551.db2.gz APYUMKVKOSUKLN-ZBFHGGJFSA-N 2 0 355.479 0.223 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC1=O ZINC000607689504 492149025 /nfs/dbraw/zinc/14/90/25/492149025.db2.gz ATTGOOUIYYTXON-QBPKDAKJSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000608328177 492172742 /nfs/dbraw/zinc/17/27/42/492172742.db2.gz AKWAOCKXUNZSEL-UHFFFAOYSA-N 2 0 351.499 0.592 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000608687262 492186672 /nfs/dbraw/zinc/18/66/72/492186672.db2.gz DIJTXEMOMFAWKI-IXDOHACOSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659867 492233850 /nfs/dbraw/zinc/23/38/50/492233850.db2.gz GKOJIZLMEJYRQF-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nnc2n1C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000610146429 492235936 /nfs/dbraw/zinc/23/59/36/492235936.db2.gz XINRDHMCURHNTI-HNNXBMFYSA-N 2 0 351.499 0.284 20 0 FCADRP Cc1nnc2n1C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000610146430 492236055 /nfs/dbraw/zinc/23/60/55/492236055.db2.gz XINRDHMCURHNTI-OAHLLOKOSA-N 2 0 351.499 0.284 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641744046 492301781 /nfs/dbraw/zinc/30/17/81/492301781.db2.gz QHSBRTBBTUQEHP-SFHVURJKSA-N 2 0 367.538 0.568 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641779915 492304060 /nfs/dbraw/zinc/30/40/60/492304060.db2.gz TVFNVLIUZMIPRZ-DLBZAZTESA-N 2 0 355.527 0.422 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000641825407 492310297 /nfs/dbraw/zinc/31/02/97/492310297.db2.gz UMLPGEDINGMPKH-MRXNPFEDSA-N 2 0 354.495 0.287 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(C)C ZINC000641824976 492310467 /nfs/dbraw/zinc/31/04/67/492310467.db2.gz OYVLXERVQCKSQZ-VXGBXAGGSA-N 2 0 364.412 0.525 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000627472537 492310502 /nfs/dbraw/zinc/31/05/02/492310502.db2.gz SFABRFALCTUKRS-DLBZAZTESA-N 2 0 366.506 0.206 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474294 492313184 /nfs/dbraw/zinc/31/31/84/492313184.db2.gz KZBTWKURDKBLMR-KRWDZBQOSA-N 2 0 374.485 0.214 20 0 FCADRP O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485724 492313861 /nfs/dbraw/zinc/31/38/61/492313861.db2.gz WSKHXFMSLKWQME-TZIWHRDSSA-N 2 0 373.497 0.681 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647567280 492314028 /nfs/dbraw/zinc/31/40/28/492314028.db2.gz POLYMPAFKVQRNJ-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccn2)CC1 ZINC000620484441 492314484 /nfs/dbraw/zinc/31/44/84/492314484.db2.gz LJEGWTZLCCBVGT-SFHVURJKSA-N 2 0 373.501 0.505 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202090 492325692 /nfs/dbraw/zinc/32/56/92/492325692.db2.gz DOVHDKVSJHXZJK-IRXDYDNUSA-N 2 0 355.527 0.421 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202079 492326578 /nfs/dbraw/zinc/32/65/78/492326578.db2.gz BOTFKYLMKAIYNY-ZWKOTPCHSA-N 2 0 369.554 0.813 20 0 FCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202162 492327740 /nfs/dbraw/zinc/32/77/40/492327740.db2.gz HIANDHOJNNOYAI-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1cccs1 ZINC000642080382 492332111 /nfs/dbraw/zinc/33/21/11/492332111.db2.gz QRSUYTUECCGZBC-MGPQQGTHSA-N 2 0 350.488 0.677 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)[NH+](C)C)c1 ZINC000642096120 492333857 /nfs/dbraw/zinc/33/38/57/492333857.db2.gz BWLAFYLKUDJTBM-OLMNPRSZSA-N 2 0 374.485 0.625 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)[NH+](C)C)c1 ZINC000642096119 492334294 /nfs/dbraw/zinc/33/42/94/492334294.db2.gz BWLAFYLKUDJTBM-JLSDUUJJSA-N 2 0 374.485 0.625 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000642102258 492334938 /nfs/dbraw/zinc/33/49/38/492334938.db2.gz XPQLMPGITKJSAP-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@@H]1c1ccccc1 ZINC000642195271 492340012 /nfs/dbraw/zinc/34/00/12/492340012.db2.gz YAWVUXMUXHJJJG-DKIMLUQUSA-N 2 0 356.470 0.758 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253659 492345134 /nfs/dbraw/zinc/34/51/34/492345134.db2.gz DXZMBLZSBTUDSJ-FUHWJXTLSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253890 492345278 /nfs/dbraw/zinc/34/52/78/492345278.db2.gz OXIHOEKIGVPHMD-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253660 492345726 /nfs/dbraw/zinc/34/57/26/492345726.db2.gz DXZMBLZSBTUDSJ-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000642262598 492346538 /nfs/dbraw/zinc/34/65/38/492346538.db2.gz KABAKNQXPFIGGC-HLLBOEOZSA-N 2 0 362.474 0.198 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654781551 492350997 /nfs/dbraw/zinc/35/09/97/492350997.db2.gz HNPZQXYLFLXQPM-UHFFFAOYSA-N 2 0 350.511 0.543 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642330551 492351764 /nfs/dbraw/zinc/35/17/64/492351764.db2.gz UOUBFWICSSQRTQ-VVLHAWIVSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000642330440 492352123 /nfs/dbraw/zinc/35/21/23/492352123.db2.gz JZGYRIFHHVVPQI-HHARLNAUSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000642330439 492352326 /nfs/dbraw/zinc/35/23/26/492352326.db2.gz JZGYRIFHHVVPQI-BQJWPVKWSA-N 2 0 350.507 0.822 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000642346541 492353332 /nfs/dbraw/zinc/35/33/32/492353332.db2.gz RBVZRGOTEWAEKY-BBWFWOEESA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382774 492356030 /nfs/dbraw/zinc/35/60/30/492356030.db2.gz RJXBFLRYUNJJAZ-BBRMVZONSA-N 2 0 350.463 0.658 20 0 FCADRP Cn1nc2c(cc1=O)CN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634644838 492357772 /nfs/dbraw/zinc/35/77/72/492357772.db2.gz BTSCOFQWPRTHBH-FQEVSTJZSA-N 2 0 354.454 0.775 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000642439516 492358109 /nfs/dbraw/zinc/35/81/09/492358109.db2.gz KHYJSYKKVCRUTD-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000642450051 492358370 /nfs/dbraw/zinc/35/83/70/492358370.db2.gz KAGKENIRXMRGSH-WFASDCNBSA-N 2 0 352.866 0.866 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642538010 492362487 /nfs/dbraw/zinc/36/24/87/492362487.db2.gz YOTMYZHEBAXKJD-WBVHZDCISA-N 2 0 374.485 0.454 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H](C)[NH3+])CC2)cc1 ZINC000642540610 492362579 /nfs/dbraw/zinc/36/25/79/492362579.db2.gz KGLQXQKCYBMMEV-AWEZNQCLSA-N 2 0 362.474 0.487 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642538007 492362767 /nfs/dbraw/zinc/36/27/67/492362767.db2.gz YOTMYZHEBAXKJD-DOTOQJQBSA-N 2 0 374.485 0.454 20 0 FCADRP O=C(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000647789694 492362820 /nfs/dbraw/zinc/36/28/20/492362820.db2.gz JPHMIPBHVKYXMB-BRWVUGGUSA-N 2 0 358.490 0.493 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cn1 ZINC000647789811 492363056 /nfs/dbraw/zinc/36/30/56/492363056.db2.gz LVJUBRHPPYGBKU-OFQRWUPVSA-N 2 0 367.519 0.551 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000642686257 492373164 /nfs/dbraw/zinc/37/31/64/492373164.db2.gz RRCSNLGYLPZSCO-UHFFFAOYSA-N 2 0 362.474 0.583 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000642708025 492376813 /nfs/dbraw/zinc/37/68/13/492376813.db2.gz LGPGIPTVLLUURS-QAPCUYQASA-N 2 0 374.485 0.473 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642725986 492380428 /nfs/dbraw/zinc/38/04/28/492380428.db2.gz WDFRWBDAWPOGKA-CRAIPNDOSA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000642731452 492382146 /nfs/dbraw/zinc/38/21/46/492382146.db2.gz JYYMIQOHZQOXBX-HNNXBMFYSA-N 2 0 350.438 0.884 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642732946 492382498 /nfs/dbraw/zinc/38/24/98/492382498.db2.gz IZXGKDAQACFQNP-GOSISDBHSA-N 2 0 358.486 0.809 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732657 492382956 /nfs/dbraw/zinc/38/29/56/492382956.db2.gz HZRGEPVIIIZOEF-QXSJWSMHSA-N 2 0 354.495 0.045 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000654947966 492384016 /nfs/dbraw/zinc/38/40/16/492384016.db2.gz XDHIXLRJUIBUCS-LSDHHAIUSA-N 2 0 362.478 0.516 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H](C)[NH3+])CC2)c1 ZINC000642754939 492386573 /nfs/dbraw/zinc/38/65/73/492386573.db2.gz JSTAZJBHXHBIRZ-MRXNPFEDSA-N 2 0 361.490 0.087 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978727 492390221 /nfs/dbraw/zinc/39/02/21/492390221.db2.gz XIFNJKOSJCWTFE-QZTJIDSGSA-N 2 0 372.517 0.837 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977114 492390576 /nfs/dbraw/zinc/39/05/76/492390576.db2.gz XYRXXKQNNADJPD-DLBZAZTESA-N 2 0 350.507 0.827 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000642785808 492391560 /nfs/dbraw/zinc/39/15/60/492391560.db2.gz LZLCTXSKOAVNPG-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785831 492391781 /nfs/dbraw/zinc/39/17/81/492391781.db2.gz MMFGTEQXAUUNSX-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000642789437 492392700 /nfs/dbraw/zinc/39/27/00/492392700.db2.gz GTFKXQORNHMPFD-HOTGVXAUSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000642798908 492394820 /nfs/dbraw/zinc/39/48/20/492394820.db2.gz RUJFFOVZCHZTFV-XGXHKWSGSA-N 2 0 370.497 0.976 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621621134 492397771 /nfs/dbraw/zinc/39/77/71/492397771.db2.gz SSVJNTPIURTYSK-CYBMUJFWSA-N 2 0 354.476 0.642 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905472 492400541 /nfs/dbraw/zinc/40/05/41/492400541.db2.gz NIRHPNIPGGJLCX-CQSZACIVSA-N 2 0 352.504 0.897 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642906075 492400859 /nfs/dbraw/zinc/40/08/59/492400859.db2.gz ZSXCBLMWUTUEIK-CEXWTWQISA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)cn1 ZINC000621650771 492401180 /nfs/dbraw/zinc/40/11/80/492401180.db2.gz CGYNYFIEPLFNPP-CQSZACIVSA-N 2 0 350.467 0.279 20 0 FCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000648178237 492412491 /nfs/dbraw/zinc/41/24/91/492412491.db2.gz HMFDHUXJLJYIJL-LSDHHAIUSA-N 2 0 351.495 0.498 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643012290 492413712 /nfs/dbraw/zinc/41/37/12/492413712.db2.gz WXQDPNGHCXAVLM-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP COc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c2cccnc12 ZINC000643088708 492418794 /nfs/dbraw/zinc/41/87/94/492418794.db2.gz IWICWIFHYFUDNK-UHFFFAOYSA-N 2 0 352.460 0.932 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621840367 492423147 /nfs/dbraw/zinc/42/31/47/492423147.db2.gz HSGXAZJLCSWICN-UZLBHIALSA-N 2 0 374.485 0.583 20 0 FCADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccc21 ZINC000627982729 492434662 /nfs/dbraw/zinc/43/46/62/492434662.db2.gz XULKCJAGJLMQRN-WBVHZDCISA-N 2 0 360.458 0.357 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655414474 492442396 /nfs/dbraw/zinc/44/23/96/492442396.db2.gz QTQRZECOCXLTEU-ZBFHGGJFSA-N 2 0 352.460 0.252 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026536 492442643 /nfs/dbraw/zinc/44/26/43/492442643.db2.gz MDKQKNLZXNNEKI-QFBILLFUSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000622029445 492444149 /nfs/dbraw/zinc/44/41/49/492444149.db2.gz GRGWHKAZJOEGAS-VZHLBOQGSA-N 2 0 360.502 0.802 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556287 492456135 /nfs/dbraw/zinc/45/61/35/492456135.db2.gz GTOAAHLPKATSIZ-MSOLQXFVSA-N 2 0 367.538 0.517 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635526210 492464242 /nfs/dbraw/zinc/46/42/42/492464242.db2.gz IAHHZVLYPJPTPN-IAGOWNOFSA-N 2 0 357.462 0.996 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635571793 492475085 /nfs/dbraw/zinc/47/50/85/492475085.db2.gz CRBGQWZPSMLOEX-WMZOPIPTSA-N 2 0 350.507 0.526 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643490260 492479656 /nfs/dbraw/zinc/47/96/56/492479656.db2.gz IYZQEXLHRCDJDN-HOTGVXAUSA-N 2 0 356.511 0.387 20 0 FCADRP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643494168 492481745 /nfs/dbraw/zinc/48/17/45/492481745.db2.gz NHNJDWONXMFXKY-GDBMZVCRSA-N 2 0 354.495 0.140 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643494348 492481760 /nfs/dbraw/zinc/48/17/60/492481760.db2.gz YPNXYPVFRJBXHI-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000643498780 492482960 /nfs/dbraw/zinc/48/29/60/492482960.db2.gz VKCCUYJCUNIZIG-KZNAEPCWSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643531933 492492285 /nfs/dbraw/zinc/49/22/85/492492285.db2.gz ZYBAUCINYZKGAU-FGTMMUONSA-N 2 0 356.470 0.397 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC[C@@H]1[NH3+] ZINC000643539791 492493997 /nfs/dbraw/zinc/49/39/97/492493997.db2.gz JPLXVYDBRPGLGK-ZACQAIPSSA-N 2 0 368.522 0.532 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000635703961 492494555 /nfs/dbraw/zinc/49/45/55/492494555.db2.gz PNKHCPMUKIHMJU-LJQANCHMSA-N 2 0 372.513 0.926 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549859 492498124 /nfs/dbraw/zinc/49/81/24/492498124.db2.gz WRWRUWNUNHJHQV-IDCNUPLLSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[C@@H]2C1 ZINC000643550004 492498169 /nfs/dbraw/zinc/49/81/69/492498169.db2.gz QOCYEYDYTVLERY-VSZNYVQBSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CCO1 ZINC000643560503 492498799 /nfs/dbraw/zinc/49/87/99/492498799.db2.gz SQMMDZDCWXHNIM-DZGCQCFKSA-N 2 0 368.503 0.213 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643560034 492498914 /nfs/dbraw/zinc/49/89/14/492498914.db2.gz FRVOTMHCEBGYOB-HZPDHXFCSA-N 2 0 364.515 0.849 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643567603 492499470 /nfs/dbraw/zinc/49/94/70/492499470.db2.gz XOJUIBXNLIDIDM-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643586154 492500552 /nfs/dbraw/zinc/50/05/52/492500552.db2.gz YASHMLAAGAFITC-KBAYOESNSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000643593365 492502921 /nfs/dbraw/zinc/50/29/21/492502921.db2.gz QYEBMIRXCDDVJN-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000643593649 492503144 /nfs/dbraw/zinc/50/31/44/492503144.db2.gz CAQFCVWAUJNEEE-BBWFWOEESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000649274332 492517777 /nfs/dbraw/zinc/51/77/77/492517777.db2.gz DMZFSCSNLTWTJZ-JLSDUUJJSA-N 2 0 357.458 0.376 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)nn1 ZINC000649296042 492525503 /nfs/dbraw/zinc/52/55/03/492525503.db2.gz UTUGWEOVDNYXLP-UHFFFAOYSA-N 2 0 358.446 0.836 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321230 492532384 /nfs/dbraw/zinc/53/23/84/492532384.db2.gz PEZKBWXOJCQEAO-ROUUACIJSA-N 2 0 374.485 0.236 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)C1 ZINC000649344185 492539569 /nfs/dbraw/zinc/53/95/69/492539569.db2.gz CCPZNVDUPZHKHX-HZPDHXFCSA-N 2 0 354.495 0.286 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)cc2)CC1 ZINC000649350233 492544636 /nfs/dbraw/zinc/54/46/36/492544636.db2.gz SIGQVRZPQYOEEQ-KRWDZBQOSA-N 2 0 369.473 0.812 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000649365659 492548412 /nfs/dbraw/zinc/54/84/12/492548412.db2.gz IIZWZKYILXKMLE-YLFCFFPRSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000649410376 492551029 /nfs/dbraw/zinc/55/10/29/492551029.db2.gz ZAVQONMOBDQDFT-QFBILLFUSA-N 2 0 360.502 0.947 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000656300257 492577083 /nfs/dbraw/zinc/57/70/83/492577083.db2.gz MZYRDHDUGZXHCX-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000623782789 492594003 /nfs/dbraw/zinc/59/40/03/492594003.db2.gz AQLNIZHAVBHSDT-CVEARBPZSA-N 2 0 354.495 0.602 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354534 492608829 /nfs/dbraw/zinc/60/88/29/492608829.db2.gz GIMVHQXIYKJHDO-SJORKVTESA-N 3 0 367.538 0.071 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656355406 492610645 /nfs/dbraw/zinc/61/06/45/492610645.db2.gz KSSCCSLICIZEHL-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@H+](CCOCC[NH3+])CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000629577862 492655000 /nfs/dbraw/zinc/65/50/00/492655000.db2.gz KEGNSHQWRGHLCC-UHFFFAOYSA-N 2 0 352.454 0.772 20 0 FCADRP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CCOCC[NH3+] ZINC000629580050 492656698 /nfs/dbraw/zinc/65/66/98/492656698.db2.gz SFUIUYWAVQAXED-LSDHHAIUSA-N 2 0 351.447 0.580 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCOC[C@H]1O ZINC000636680965 492659786 /nfs/dbraw/zinc/65/97/86/492659786.db2.gz PNVJREQLIRRYGW-IAGOWNOFSA-N 2 0 363.462 0.043 20 0 FCADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707090 492663793 /nfs/dbraw/zinc/66/37/93/492663793.db2.gz YICJULYDGDLHNG-FHWLQOOXSA-N 2 0 374.533 0.947 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225748 492673024 /nfs/dbraw/zinc/67/30/24/492673024.db2.gz YESQXDRLJVBIRP-RBUKOAKNSA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H]3[N@@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC000644227800 492674369 /nfs/dbraw/zinc/67/43/69/492674369.db2.gz UJPVBCHESYDOQR-KSZLIROESA-N 2 0 373.501 0.551 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629798968 492677626 /nfs/dbraw/zinc/67/76/26/492677626.db2.gz CNIIKTHQMDUZTO-QWHCGFSZSA-N 2 0 366.428 0.772 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000629800876 492678953 /nfs/dbraw/zinc/67/89/53/492678953.db2.gz CVNDGMXSCHPMRZ-UHFFFAOYSA-N 2 0 361.490 0.954 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629802770 492679834 /nfs/dbraw/zinc/67/98/34/492679834.db2.gz PTGXWFZTNUQZAW-AAEUAGOBSA-N 2 0 364.412 0.525 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753865 492682264 /nfs/dbraw/zinc/68/22/64/492682264.db2.gz ZTYCZFCCQCXYMJ-RTBURBONSA-N 2 0 360.502 0.917 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000624955619 492702771 /nfs/dbraw/zinc/70/27/71/492702771.db2.gz LVGLHYCVUCJQJE-UHFFFAOYSA-N 2 0 366.491 0.381 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636960851 492738610 /nfs/dbraw/zinc/73/86/10/492738610.db2.gz NLSBLPDEHPVIKE-CRAIPNDOSA-N 2 0 361.490 0.973 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644446523 492756596 /nfs/dbraw/zinc/75/65/96/492756596.db2.gz COUZMJAZEIGEAT-KSZLIROESA-N 2 0 367.538 0.299 20 0 FCADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(=O)n(C)c1=O ZINC000657613008 492765353 /nfs/dbraw/zinc/76/53/53/492765353.db2.gz UFKIXMFBYOYTSL-UHFFFAOYSA-N 2 0 357.458 0.481 20 0 FCADRP Cc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637092708 492765460 /nfs/dbraw/zinc/76/54/60/492765460.db2.gz KKQFUJQEIMNQRI-SFHVURJKSA-N 2 0 373.501 0.633 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630879729 492781868 /nfs/dbraw/zinc/78/18/68/492781868.db2.gz MXETWEZUWCUKOB-SFHVURJKSA-N 3 0 364.538 0.933 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC2)c1 ZINC000630929959 492786278 /nfs/dbraw/zinc/78/62/78/492786278.db2.gz BMLQRSVERYLFHG-UHFFFAOYSA-N 2 0 358.446 0.811 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000631065293 492795760 /nfs/dbraw/zinc/79/57/60/492795760.db2.gz QFNYCIRYBLEQPE-LBPRGKRZSA-N 2 0 360.911 0.713 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000657871029 492806710 /nfs/dbraw/zinc/80/67/10/492806710.db2.gz YNXSQHVULVAOHY-KRWDZBQOSA-N 2 0 355.442 0.203 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C2CC2)C1 ZINC000651715806 492811517 /nfs/dbraw/zinc/81/15/17/492811517.db2.gz OULZYSCMBVHNAQ-AWEZNQCLSA-N 2 0 362.478 0.326 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000637376498 492816716 /nfs/dbraw/zinc/81/67/16/492816716.db2.gz KWGWREWOSDOMSA-SJORKVTESA-N 2 0 365.522 0.986 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000631809998 492857042 /nfs/dbraw/zinc/85/70/42/492857042.db2.gz PJAMTLFKVBYHMR-LJQANCHMSA-N 2 0 371.485 0.594 20 0 FCADRP CS(=O)(=O)N1CCC(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000631826006 492858651 /nfs/dbraw/zinc/85/86/51/492858651.db2.gz BCEJBDFKDDTGAA-UHFFFAOYSA-N 2 0 374.551 0.368 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000631895245 492871565 /nfs/dbraw/zinc/87/15/65/492871565.db2.gz PMOOPVZUUPEAJK-SFHVURJKSA-N 2 0 372.579 0.904 20 0 FCADRP NS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000637904219 492876841 /nfs/dbraw/zinc/87/68/41/492876841.db2.gz CMRZYVDZPDWNTF-UHFFFAOYSA-N 2 0 353.488 0.878 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000631911139 492876878 /nfs/dbraw/zinc/87/68/78/492876878.db2.gz WSIRPGSPPPVJKY-QZTJIDSGSA-N 2 0 363.506 0.942 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645213312 492878817 /nfs/dbraw/zinc/87/88/17/492878817.db2.gz NMCCNRLIUGDURO-UHFFFAOYSA-N 2 0 354.495 0.603 20 0 FCADRP CCO[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652128648 492884165 /nfs/dbraw/zinc/88/41/65/492884165.db2.gz FZNHAVRGJAUCSK-IAGOWNOFSA-N 2 0 355.527 0.409 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000631922855 492885822 /nfs/dbraw/zinc/88/58/22/492885822.db2.gz GBOKYEBGXJJWIN-UHFFFAOYSA-N 2 0 366.531 0.604 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652144801 492886265 /nfs/dbraw/zinc/88/62/65/492886265.db2.gz UBSJXBDYSXOFSV-BXWFABGCSA-N 2 0 365.522 0.700 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631925143 492887288 /nfs/dbraw/zinc/88/72/88/492887288.db2.gz NUDHTTPDEDJDRK-INIZCTEOSA-N 2 0 362.540 0.348 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)C2)C1 ZINC000652195562 492894534 /nfs/dbraw/zinc/89/45/34/492894534.db2.gz YFEAGLCUPALTOP-BBWFWOEESA-N 2 0 354.495 0.637 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCCCN3CC[NH2+]CC3)C2)C1 ZINC000652200925 492894643 /nfs/dbraw/zinc/89/46/43/492894643.db2.gz OEOOJTDAPOSVKC-GVDBMIGSSA-N 2 0 353.511 0.210 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC000638068809 492899487 /nfs/dbraw/zinc/89/94/87/492899487.db2.gz ZXZIBZVSOFPTOP-UHFFFAOYSA-N 2 0 359.474 0.228 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC000631975482 492902056 /nfs/dbraw/zinc/90/20/56/492902056.db2.gz GJIDZUGOJVMKRB-QGZVFWFLSA-N 2 0 358.552 0.514 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000638097168 492904840 /nfs/dbraw/zinc/90/48/40/492904840.db2.gz BLMKEVXTKOXHTK-SFHVURJKSA-N 2 0 374.485 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638098805 492904955 /nfs/dbraw/zinc/90/49/55/492904955.db2.gz PLMJFYWESDEPPA-GOSISDBHSA-N 2 0 362.474 0.708 20 0 FCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652348861 492913105 /nfs/dbraw/zinc/91/31/05/492913105.db2.gz UFZOGYWJDVBASS-TWMKSMIVSA-N 2 0 359.536 0.876 20 0 FCADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346792 492913737 /nfs/dbraw/zinc/91/37/37/492913737.db2.gz IKRDLFRARFKOBB-HRCADAONSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638221079 492922841 /nfs/dbraw/zinc/92/28/41/492922841.db2.gz VNRPFBWZYYDWDX-MRXNPFEDSA-N 2 0 370.419 0.827 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000632112069 492932375 /nfs/dbraw/zinc/93/23/75/492932375.db2.gz MJUNZWANPNSURS-DLBZAZTESA-N 2 0 358.552 0.370 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3CCCO[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638342990 492937939 /nfs/dbraw/zinc/93/79/39/492937939.db2.gz JSKJAHQWONIFPX-AWEZNQCLSA-N 2 0 361.446 0.493 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638347127 492937999 /nfs/dbraw/zinc/93/79/99/492937999.db2.gz LMYVVXFHJWIWRC-HKUYNNGSSA-N 3 0 360.502 0.863 20 0 FCADRP C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632228933 492953628 /nfs/dbraw/zinc/95/36/28/492953628.db2.gz NOPSDGVHEHSKFN-UHFFFAOYSA-N 2 0 360.568 0.808 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000652622907 492971896 /nfs/dbraw/zinc/97/18/96/492971896.db2.gz WKJSEPUWWCOYET-INIZCTEOSA-N 2 0 362.478 0.374 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652622288 492972033 /nfs/dbraw/zinc/97/20/33/492972033.db2.gz FQDWOIDDOSYNCM-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP CCCN(CC[NH+]1CCCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632331595 492975089 /nfs/dbraw/zinc/97/50/89/492975089.db2.gz PKVIMCFIGYHYFG-UHFFFAOYSA-N 2 0 360.568 0.762 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638754738 492976598 /nfs/dbraw/zinc/97/65/98/492976598.db2.gz DLARFJNOBSOLPC-AEFFLSMTSA-N 2 0 354.458 0.951 20 0 FCADRP [NH3+]CCOCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000645817329 492977571 /nfs/dbraw/zinc/97/75/71/492977571.db2.gz HKPINEVIHJFUHX-QGZVFWFLSA-N 2 0 361.490 0.418 20 0 FCADRP O=C(N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000638784007 492978621 /nfs/dbraw/zinc/97/86/21/492978621.db2.gz QPCBMFFTIOWSMP-QGZVFWFLSA-N 2 0 361.490 0.579 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836001 492981122 /nfs/dbraw/zinc/98/11/22/492981122.db2.gz PPMHQOKZLIDERA-SUMDDJOVSA-N 2 0 360.502 0.970 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)C1=O ZINC000638855990 492982257 /nfs/dbraw/zinc/98/22/57/492982257.db2.gz KCLKDVKQURBICS-SJORKVTESA-N 2 0 362.449 0.679 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC000638855555 492982878 /nfs/dbraw/zinc/98/28/78/492982878.db2.gz DSLHVMCFASRSBF-AEFFLSMTSA-N 2 0 358.486 0.758 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCCO1 ZINC000652669159 492983345 /nfs/dbraw/zinc/98/33/45/492983345.db2.gz XORIZTYUKZUHMQ-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652670542 492984088 /nfs/dbraw/zinc/98/40/88/492984088.db2.gz VVUJVIJQQAWLCD-NNFUDEMPSA-N 2 0 368.522 0.435 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673710 492984808 /nfs/dbraw/zinc/98/48/08/492984808.db2.gz YSQOENVWSLGNBR-FIDHJVLJSA-N 2 0 368.522 0.291 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652676905 492985651 /nfs/dbraw/zinc/98/56/51/492985651.db2.gz KFVKYVWMHOWZMO-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000632375573 492986458 /nfs/dbraw/zinc/98/64/58/492986458.db2.gz WTNSWKHARXGOHR-LJQANCHMSA-N 2 0 371.485 0.941 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC000638978042 492989630 /nfs/dbraw/zinc/98/96/30/492989630.db2.gz SARKSGVZQNVUOT-HNNXBMFYSA-N 2 0 358.450 0.918 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000638985146 492990407 /nfs/dbraw/zinc/99/04/07/492990407.db2.gz ADPYYALELUTRGC-FQEVSTJZSA-N 2 0 365.437 0.888 20 0 FCADRP O=C(NCc1ccc(F)cc1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985801 492990461 /nfs/dbraw/zinc/99/04/61/492990461.db2.gz GNAVSAYJHBLHSF-UHFFFAOYSA-N 2 0 357.389 0.885 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009473 492999863 /nfs/dbraw/zinc/99/98/63/492999863.db2.gz MDSDRMPXTDVPRX-CTNGQTDRSA-N 2 0 372.513 0.440 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000652725120 493004029 /nfs/dbraw/zinc/00/40/29/493004029.db2.gz XVTDHBYFYFSOGP-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000652724405 493004315 /nfs/dbraw/zinc/00/43/15/493004315.db2.gz AMBMXXDFNBBOGO-FUHWJXTLSA-N 2 0 362.518 0.968 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652726814 493005630 /nfs/dbraw/zinc/00/56/30/493005630.db2.gz PDOBPUYKVBHFFE-JYJNAYRXSA-N 2 0 354.495 0.141 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730376 493008232 /nfs/dbraw/zinc/00/82/32/493008232.db2.gz VYEUPQNIJCSENI-ULQDDVLXSA-N 2 0 368.522 0.532 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000646069088 493009638 /nfs/dbraw/zinc/00/96/38/493009638.db2.gz NHIUQUARXJMLBT-UHFFFAOYSA-N 3 0 365.526 0.548 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652733947 493011451 /nfs/dbraw/zinc/01/14/51/493011451.db2.gz VDPAMBOAJIFWIF-LUKYLMHMSA-N 2 0 366.506 0.284 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639681897 493030593 /nfs/dbraw/zinc/03/05/93/493030593.db2.gz HORSIBZSQBKWGN-INIZCTEOSA-N 2 0 359.474 0.673 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000626855768 493038163 /nfs/dbraw/zinc/03/81/63/493038163.db2.gz CPJZESPHRODPDP-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626947980 493069132 /nfs/dbraw/zinc/06/91/32/493069132.db2.gz LKPXBSKBHSEPAA-DLTWYDFYSA-N 2 0 363.510 0.978 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000626958060 493070263 /nfs/dbraw/zinc/07/02/63/493070263.db2.gz BXBXDQSOWRKSOX-UHFFFAOYSA-N 3 0 364.494 0.210 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124586 493074814 /nfs/dbraw/zinc/07/48/14/493074814.db2.gz AXPHBGPZOLLMDQ-FPOVZHCZSA-N 2 0 372.513 0.676 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194661 493082596 /nfs/dbraw/zinc/08/25/96/493082596.db2.gz SAYFUSSZMFOUEO-BOSXTWCSSA-N 2 0 362.518 0.907 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[C@@H]1C(F)(F)F ZINC000627044513 493084599 /nfs/dbraw/zinc/08/45/99/493084599.db2.gz NEJGPHAWGLEIBI-STQMWFEESA-N 2 0 352.401 0.877 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000633027982 493105420 /nfs/dbraw/zinc/10/54/20/493105420.db2.gz YSIWKEMEWYBYBH-STQMWFEESA-N 2 0 350.394 0.277 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000633038187 493108772 /nfs/dbraw/zinc/10/87/72/493108772.db2.gz ONBZQOWVLQQKLB-GOEBONIOSA-N 2 0 359.474 0.321 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000633038444 493108879 /nfs/dbraw/zinc/10/88/79/493108879.db2.gz ONBZQOWVLQQKLB-ZBFHGGJFSA-N 2 0 359.474 0.321 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627227993 493110802 /nfs/dbraw/zinc/11/08/02/493110802.db2.gz ASDCRBATQASLIF-DLBZAZTESA-N 2 0 361.494 0.972 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000627235734 493115221 /nfs/dbraw/zinc/11/52/21/493115221.db2.gz WZDKBLYVLUCQDX-WBVHZDCISA-N 2 0 361.494 0.734 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627247991 493117100 /nfs/dbraw/zinc/11/71/00/493117100.db2.gz ZQNHBRNIQVMVBQ-MRXNPFEDSA-N 2 0 353.511 0.618 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083401 493117342 /nfs/dbraw/zinc/11/73/42/493117342.db2.gz BXBIMBCRAFAZQV-CALCHBBNSA-N 2 0 362.449 0.679 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259098 493120783 /nfs/dbraw/zinc/12/07/83/493120783.db2.gz MZCGTTNWSHNCGR-IRXDYDNUSA-N 2 0 351.491 0.689 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259660 493122060 /nfs/dbraw/zinc/12/20/60/493122060.db2.gz XHBHHQHJWCPJRE-PMACEKPBSA-N 2 0 372.513 0.715 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633099454 493125364 /nfs/dbraw/zinc/12/53/64/493125364.db2.gz BKWFLGBDGPHBCQ-FHWLQOOXSA-N 2 0 370.497 0.930 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633102853 493125925 /nfs/dbraw/zinc/12/59/25/493125925.db2.gz YHPHUFHBYCTSJG-STQMWFEESA-N 2 0 364.412 0.682 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000659027263 493127157 /nfs/dbraw/zinc/12/71/57/493127157.db2.gz CWXDKJZLBOCBCT-UHFFFAOYSA-N 2 0 359.474 0.673 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000633103003 493127221 /nfs/dbraw/zinc/12/72/21/493127221.db2.gz JVDUASHWIQCRQH-AAEUAGOBSA-N 2 0 362.396 0.434 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633110688 493130749 /nfs/dbraw/zinc/13/07/49/493130749.db2.gz JYBUIPPUBSTQKT-KSZLIROESA-N 2 0 356.470 0.335 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000633116558 493132366 /nfs/dbraw/zinc/13/23/66/493132366.db2.gz VHCDLZQVWHZVGM-ULQDDVLXSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000633143524 493135790 /nfs/dbraw/zinc/13/57/90/493135790.db2.gz MJVAQLDGZXKWOE-RDJZCZTQSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000627292306 493136891 /nfs/dbraw/zinc/13/68/91/493136891.db2.gz REZYIUGCKFMLLC-MSOLQXFVSA-N 2 0 360.502 0.732 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000646974536 493137597 /nfs/dbraw/zinc/13/75/97/493137597.db2.gz RMOSQMBHVUOKBQ-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627365079 493180521 /nfs/dbraw/zinc/18/05/21/493180521.db2.gz FFQWCWVMALPWID-AAEUAGOBSA-N 2 0 364.412 0.573 20 0 FCADRP C[C@@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000672467530 493182975 /nfs/dbraw/zinc/18/29/75/493182975.db2.gz YUKUZDJXNGAXMG-IRXDYDNUSA-N 3 0 369.554 0.269 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cnn1C ZINC000659285740 493183873 /nfs/dbraw/zinc/18/38/73/493183873.db2.gz SCORFJWINFLLQV-ZWKOTPCHSA-N 2 0 361.490 0.355 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cnn1C ZINC000659301466 493187191 /nfs/dbraw/zinc/18/71/91/493187191.db2.gz HGWKZSWIUGEYPP-RRQGHBQHSA-N 2 0 354.458 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481070 493191802 /nfs/dbraw/zinc/19/18/02/493191802.db2.gz FEAPJBMMLWSTJX-CZUORRHYSA-N 2 0 370.457 0.961 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659497426 493197281 /nfs/dbraw/zinc/19/72/81/493197281.db2.gz AKJNMGBIJDYJFY-AWEZNQCLSA-N 2 0 350.467 0.951 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000627392970 493200641 /nfs/dbraw/zinc/20/06/41/493200641.db2.gz KVSOBFBISVHLGJ-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659508191 493202831 /nfs/dbraw/zinc/20/28/31/493202831.db2.gz OGZJVCHCAIKGME-HOTGVXAUSA-N 2 0 363.437 0.002 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000659574520 493215699 /nfs/dbraw/zinc/21/56/99/493215699.db2.gz CXANXFFFWQIQHD-HUUCEWRRSA-N 2 0 356.430 0.586 20 0 FCADRP CC(C)c1ccnc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000666699610 493218578 /nfs/dbraw/zinc/21/85/78/493218578.db2.gz JCSIKVTVMQCFJQ-INIZCTEOSA-N 2 0 360.506 0.919 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630304 493224455 /nfs/dbraw/zinc/22/44/55/493224455.db2.gz OMKGXGXPKIQEPV-UHFFFAOYSA-N 2 0 364.475 0.976 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000672695132 493234290 /nfs/dbraw/zinc/23/42/90/493234290.db2.gz JKYVLQUKEFIAOL-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000672700074 493236700 /nfs/dbraw/zinc/23/67/00/493236700.db2.gz YMYHOKLWABXOTK-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974371 493242823 /nfs/dbraw/zinc/24/28/23/493242823.db2.gz OGYAIJZJGPHXNP-QGZVFWFLSA-N 3 0 355.527 0.375 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974346 493243384 /nfs/dbraw/zinc/24/33/84/493243384.db2.gz NVLWOFVLZDEDIH-MSOLQXFVSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978218 493245577 /nfs/dbraw/zinc/24/55/77/493245577.db2.gz UQQLUOHMTDNCPL-IAGOWNOFSA-N 2 0 354.495 0.386 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659686504 493252675 /nfs/dbraw/zinc/25/26/75/493252675.db2.gz ZTNPUAOGSZTWKZ-INIZCTEOSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659687766 493253643 /nfs/dbraw/zinc/25/36/43/493253643.db2.gz MLGPEKRDCDNNQL-DOTOQJQBSA-N 2 0 362.474 0.118 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000659694343 493257637 /nfs/dbraw/zinc/25/76/37/493257637.db2.gz OBAVLWLHLXINSL-OAGGEKHMSA-N 2 0 360.502 0.983 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)Cc2ccccc2C1 ZINC000659695935 493258579 /nfs/dbraw/zinc/25/85/79/493258579.db2.gz HSRGBOQTIXCEMI-UHFFFAOYSA-N 2 0 358.486 0.590 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000659705303 493264537 /nfs/dbraw/zinc/26/45/37/493264537.db2.gz XPEWEWDQFHBSSC-UHFFFAOYSA-N 2 0 352.479 0.135 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000659711091 493267261 /nfs/dbraw/zinc/26/72/61/493267261.db2.gz VWUBNNLKYSJVNI-WMLDXEAASA-N 2 0 362.474 0.672 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000659712193 493267910 /nfs/dbraw/zinc/26/79/10/493267910.db2.gz HQBDOGAHWMECNQ-IRXDYDNUSA-N 2 0 360.458 0.172 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000667264318 493269944 /nfs/dbraw/zinc/26/99/44/493269944.db2.gz JKDRBPKHSYKWER-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659721937 493272202 /nfs/dbraw/zinc/27/22/02/493272202.db2.gz LRPLBTLMCOUXDV-SFHVURJKSA-N 2 0 373.501 0.668 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[NH2+]1 ZINC000659726670 493274657 /nfs/dbraw/zinc/27/46/57/493274657.db2.gz BDTPVENWCNAGDK-HOTGVXAUSA-N 2 0 373.501 0.619 20 0 FCADRP CC1([NH3+])CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659729022 493276172 /nfs/dbraw/zinc/27/61/72/493276172.db2.gz LGQPTPWMRDSYJC-UHFFFAOYSA-N 2 0 373.501 0.750 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659729354 493276350 /nfs/dbraw/zinc/27/63/50/493276350.db2.gz QZLQMFDPYXOBTA-GJZGRUSLSA-N 2 0 361.490 0.652 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659730291 493277063 /nfs/dbraw/zinc/27/70/63/493277063.db2.gz RTEFWVJCQUNSEW-HNNXBMFYSA-N 2 0 359.474 0.230 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC000659734610 493278425 /nfs/dbraw/zinc/27/84/25/493278425.db2.gz AADBFFVTLDWPNL-DOTOQJQBSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659735348 493278494 /nfs/dbraw/zinc/27/84/94/493278494.db2.gz RYVSJNDSUOWXJF-INIZCTEOSA-N 3 0 365.522 0.001 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000659738843 493279885 /nfs/dbraw/zinc/27/98/85/493279885.db2.gz IYHGEMYFOPXJLM-IXDOHACOSA-N 2 0 366.506 0.332 20 0 FCADRP CC(C)Oc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000682222430 493280216 /nfs/dbraw/zinc/28/02/16/493280216.db2.gz VRGOEPPTIVEYMR-UHFFFAOYSA-N 2 0 365.478 0.759 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)CCCO1 ZINC000673044039 493283952 /nfs/dbraw/zinc/28/39/52/493283952.db2.gz WHBYGZBUJVWLDW-MRXNPFEDSA-N 2 0 356.511 0.585 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000667558014 493289645 /nfs/dbraw/zinc/28/96/45/493289645.db2.gz RFQGGSPCPQSZRE-OAHLLOKOSA-N 2 0 361.490 0.927 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000667584498 493291468 /nfs/dbraw/zinc/29/14/68/493291468.db2.gz NTCYNFJKWFTVCQ-ZFWWWQNUSA-N 2 0 366.437 0.724 20 0 FCADRP CN1C(=O)CC[C@@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680520 493296180 /nfs/dbraw/zinc/29/61/80/493296180.db2.gz JCYPJKDJUOTZKQ-QGZVFWFLSA-N 2 0 359.474 0.721 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673337087 493318783 /nfs/dbraw/zinc/31/87/83/493318783.db2.gz WKXMYKOMTXERQS-KRWDZBQOSA-N 2 0 368.522 0.405 20 0 FCADRP CNS(=O)(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000660145483 493330249 /nfs/dbraw/zinc/33/02/49/493330249.db2.gz SHCZFTBFIQKCOW-UHFFFAOYSA-N 2 0 354.520 0.664 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000668511042 493367818 /nfs/dbraw/zinc/36/78/18/493367818.db2.gz CFYNUCBACRPKMW-KRWDZBQOSA-N 2 0 367.538 0.121 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000668518628 493369950 /nfs/dbraw/zinc/36/99/50/493369950.db2.gz CKFAUSPNJBKOGD-UHFFFAOYSA-N 2 0 359.474 0.382 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660655259 493370403 /nfs/dbraw/zinc/37/04/03/493370403.db2.gz WDOFGLFNKWPBGZ-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCOCC1 ZINC000660710289 493374771 /nfs/dbraw/zinc/37/47/71/493374771.db2.gz MCMNNMBBAIUPRB-INIZCTEOSA-N 2 0 354.495 0.650 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000683872986 493375734 /nfs/dbraw/zinc/37/57/34/493375734.db2.gz IVAQLYRXUVMPLR-UHFFFAOYSA-N 2 0 362.478 0.643 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668557005 493375784 /nfs/dbraw/zinc/37/57/84/493375784.db2.gz DMAMJIKLXLXSPL-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H]1CN(C/C=C/CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000660726591 493375966 /nfs/dbraw/zinc/37/59/66/493375966.db2.gz XEXAALJKEFGWHM-MCBGNAOOSA-N 2 0 368.566 0.316 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036562 493404029 /nfs/dbraw/zinc/40/40/29/493404029.db2.gz JZXWIHTYISDKMN-WMZOPIPTSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000668893140 493430424 /nfs/dbraw/zinc/43/04/24/493430424.db2.gz MXUWFYXJAVRRCG-PBHICJAKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668934576 493440093 /nfs/dbraw/zinc/44/00/93/493440093.db2.gz PHSLLGGLJNJBDL-DOTOQJQBSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596720 493449631 /nfs/dbraw/zinc/44/96/31/493449631.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000685276925 493471869 /nfs/dbraw/zinc/47/18/69/493471869.db2.gz DKWGIWOYTTVJRB-GJZGRUSLSA-N 2 0 357.458 0.472 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000675190044 493472719 /nfs/dbraw/zinc/47/27/19/493472719.db2.gz GYQYHBIAUNFKBF-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000685310747 493474705 /nfs/dbraw/zinc/47/47/05/493474705.db2.gz IETOVUPLGULMDG-INMHGKMJSA-N 2 0 350.507 0.918 20 0 FCADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662262001 493501984 /nfs/dbraw/zinc/50/19/84/493501984.db2.gz RIICISXRCHTRON-SFHVURJKSA-N 2 0 364.534 0.774 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420520 493503079 /nfs/dbraw/zinc/50/30/79/493503079.db2.gz NZUBJCHTQDIKRE-GOSISDBHSA-N 2 0 373.501 0.630 20 0 FCADRP C[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH3+] ZINC000662313835 493505817 /nfs/dbraw/zinc/50/58/17/493505817.db2.gz NVJUJZDEOQUIAS-HUUCEWRRSA-N 2 0 362.540 0.224 20 0 FCADRP CN1CCN(C(=O)CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000685614221 493505834 /nfs/dbraw/zinc/50/58/34/493505834.db2.gz RYVHGHIKRSGKMI-UHFFFAOYSA-N 2 0 366.263 0.960 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000669529895 493508998 /nfs/dbraw/zinc/50/89/98/493508998.db2.gz ICEVRWZIUILBCE-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662388799 493511526 /nfs/dbraw/zinc/51/15/26/493511526.db2.gz UKMMHSYOGSNKFW-OAHLLOKOSA-N 2 0 370.461 0.520 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662407865 493513543 /nfs/dbraw/zinc/51/35/43/493513543.db2.gz KHSYILQPBYOBOY-CQSZACIVSA-N 2 0 370.461 0.650 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000662577278 493526706 /nfs/dbraw/zinc/52/67/06/493526706.db2.gz UBIXXVHPTZSSAD-GOEBONIOSA-N 2 0 358.421 0.909 20 0 FCADRP COc1cc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000662691696 493531889 /nfs/dbraw/zinc/53/18/89/493531889.db2.gz LMHBDIJBGGBJAI-YOEHRIQHSA-N 2 0 351.447 0.616 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC000662733751 493535829 /nfs/dbraw/zinc/53/58/29/493535829.db2.gz MOBVBZKULWLGDX-KRWDZBQOSA-N 2 0 358.486 0.469 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758772 493540230 /nfs/dbraw/zinc/54/02/30/493540230.db2.gz STNOOUOERUUURG-UKRRQHHQSA-N 2 0 350.429 0.918 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1CC[NH2+]C2 ZINC000662772926 493540540 /nfs/dbraw/zinc/54/05/40/493540540.db2.gz JFURPYUBZQCNJE-HNNXBMFYSA-N 2 0 356.392 0.898 20 0 FCADRP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CN(C)CCO1 ZINC000676303492 493543394 /nfs/dbraw/zinc/54/33/94/493543394.db2.gz CUIOIYFWQOSQTJ-FUHWJXTLSA-N 2 0 368.522 0.849 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842579 493546084 /nfs/dbraw/zinc/54/60/84/493546084.db2.gz PXKJTLNPXMHKNQ-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662857369 493547616 /nfs/dbraw/zinc/54/76/16/493547616.db2.gz AMNHZTOBGLQKMG-IRXDYDNUSA-N 2 0 369.469 0.983 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000662926740 493554378 /nfs/dbraw/zinc/55/43/78/493554378.db2.gz WBGCBGUBGZCHEC-UHFFFAOYSA-N 2 0 352.454 0.912 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662941720 493557862 /nfs/dbraw/zinc/55/78/62/493557862.db2.gz AXZKUSBSFPFBPP-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662950531 493560022 /nfs/dbraw/zinc/56/00/22/493560022.db2.gz MRBNFLBHGRIRFM-NZSAHSFTSA-N 2 0 372.513 0.958 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000662984131 493564047 /nfs/dbraw/zinc/56/40/47/493564047.db2.gz OBMVGHLXAIRTKF-IXDOHACOSA-N 2 0 368.522 0.532 20 0 FCADRP CN(C(=O)C(=O)NCc1ccccn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670478569 493572036 /nfs/dbraw/zinc/57/20/36/493572036.db2.gz NRIZHHSOSVGCKG-KRWDZBQOSA-N 2 0 359.474 0.325 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000670545909 493579380 /nfs/dbraw/zinc/57/93/80/493579380.db2.gz SJAXEHNQBSGLSD-GOSISDBHSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671181 493587096 /nfs/dbraw/zinc/58/70/96/493587096.db2.gz OUMCBFCIFNFUFJ-SJORKVTESA-N 2 0 366.506 0.060 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670787339 493597070 /nfs/dbraw/zinc/59/70/70/493597070.db2.gz GAJYWONGXCKPKL-INIZCTEOSA-N 2 0 355.442 0.594 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000670878104 493608262 /nfs/dbraw/zinc/60/82/62/493608262.db2.gz GUNOSMLTXUGDGF-KRWDZBQOSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000677579667 493609460 /nfs/dbraw/zinc/60/94/60/493609460.db2.gz XRAWNHZGUDXMAK-UHFFFAOYSA-N 2 0 360.506 0.939 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000671071961 493630143 /nfs/dbraw/zinc/63/01/43/493630143.db2.gz VTOHBPBNLSRGQT-SFHVURJKSA-N 2 0 368.547 0.627 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671100735 493632711 /nfs/dbraw/zinc/63/27/11/493632711.db2.gz KUBOFIJKXXBYDZ-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671100737 493632844 /nfs/dbraw/zinc/63/28/44/493632844.db2.gz KUBOFIJKXXBYDZ-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000678199396 493637701 /nfs/dbraw/zinc/63/77/01/493637701.db2.gz OKQAIGXEKPMQPC-INIZCTEOSA-N 2 0 365.522 0.844 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000671122642 493639180 /nfs/dbraw/zinc/63/91/80/493639180.db2.gz DWLCJJRLMWJZCM-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664177286 493641603 /nfs/dbraw/zinc/64/16/03/493641603.db2.gz CJAQACHLQYISPZ-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181865 493647648 /nfs/dbraw/zinc/64/76/48/493647648.db2.gz SZWDSPWNPAWVEP-SJORKVTESA-N 2 0 357.458 0.473 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664957023 493691703 /nfs/dbraw/zinc/69/17/03/493691703.db2.gz CBLGCBRPPIYRIH-QGZVFWFLSA-N 2 0 354.495 0.605 20 0 FCADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000680284097 493712601 /nfs/dbraw/zinc/71/26/01/493712601.db2.gz ITZDFABKPFHWLD-OFQRWUPVSA-N 2 0 364.494 0.032 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665460679 493715945 /nfs/dbraw/zinc/71/59/45/493715945.db2.gz RSOUEHQPLPSDLR-GOSISDBHSA-N 2 0 354.495 0.243 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671941238 493716143 /nfs/dbraw/zinc/71/61/43/493716143.db2.gz WFMUDSSFSAYKBK-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672011570 493724452 /nfs/dbraw/zinc/72/44/52/493724452.db2.gz JXPRYMMCWRTKIQ-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672014052 493724760 /nfs/dbraw/zinc/72/47/60/493724760.db2.gz POQDHXKLAABIQG-USXIJHARSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681164134 493748006 /nfs/dbraw/zinc/74/80/06/493748006.db2.gz NTGIUIWWCUSJMX-QGZVFWFLSA-N 2 0 360.506 0.939 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305728 493751898 /nfs/dbraw/zinc/75/18/98/493751898.db2.gz BEIPGDAEGIJPEU-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000672330220 493757598 /nfs/dbraw/zinc/75/75/98/493757598.db2.gz VFGYZGZNFYEZMF-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1O ZINC000666148576 493760069 /nfs/dbraw/zinc/76/00/69/493760069.db2.gz KCVKWTWEUJBMCE-ROUUACIJSA-N 2 0 361.490 0.610 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000666147719 493760149 /nfs/dbraw/zinc/76/01/49/493760149.db2.gz LZTCSPZNAYQXLC-RBUKOAKNSA-N 2 0 373.501 0.754 20 0 FCADRP CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)nn1 ZINC000666269909 493765918 /nfs/dbraw/zinc/76/59/18/493765918.db2.gz AYRKYQOCZHKORV-MRXNPFEDSA-N 2 0 351.499 0.856 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[C@H](C)O1 ZINC000187299979 534467328 /nfs/dbraw/zinc/46/73/28/534467328.db2.gz ONPCEVOVIQHBQQ-ZACQAIPSSA-N 2 0 370.538 0.972 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423206291 536460199 /nfs/dbraw/zinc/46/01/99/536460199.db2.gz QHWCPVWQZWPFAI-INIZCTEOSA-N 2 0 364.465 0.784 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000410845123 527804452 /nfs/dbraw/zinc/80/44/52/527804452.db2.gz QELCWRPUKCFGHL-ULQDDVLXSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410811956 527842092 /nfs/dbraw/zinc/84/20/92/527842092.db2.gz XAZSKFITVUUKDV-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000411905147 528274783 /nfs/dbraw/zinc/27/47/83/528274783.db2.gz BFKOZVBOMTZWII-BRSBDYLESA-N 2 0 364.534 0.974 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCN(C)CC1 ZINC000186862906 528452757 /nfs/dbraw/zinc/45/27/57/528452757.db2.gz SJDOGWQOYNXEAF-QGZVFWFLSA-N 2 0 355.527 0.280 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410886735 528890817 /nfs/dbraw/zinc/89/08/17/528890817.db2.gz OLSLJRVEPUZDKS-UHFFFAOYSA-N 2 0 370.538 0.744 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419129242 534992781 /nfs/dbraw/zinc/99/27/81/534992781.db2.gz XVVORAIXVCBTKQ-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419973516 535068628 /nfs/dbraw/zinc/06/86/28/535068628.db2.gz JCMPPWOBIHITBO-YESZJQIVSA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419688441 535070898 /nfs/dbraw/zinc/07/08/98/535070898.db2.gz AQAJMHNFOVLMLV-GVDBMIGSSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000419154729 535082896 /nfs/dbraw/zinc/08/28/96/535082896.db2.gz QLLAEFSRWAIKMM-ZACQAIPSSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419384552 535083965 /nfs/dbraw/zinc/08/39/65/535083965.db2.gz BBDMYPWXFWLIJU-UHFFFAOYSA-N 2 0 370.497 0.975 20 0 FCADRP CCCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665343 535186216 /nfs/dbraw/zinc/18/62/16/535186216.db2.gz QOPCMCIKAUZGAD-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419284163 535218960 /nfs/dbraw/zinc/21/89/60/535218960.db2.gz KJVIMXBMVILQNO-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419761125 535297738 /nfs/dbraw/zinc/29/77/38/535297738.db2.gz JTOBNLWTSNVMMH-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132429 535462806 /nfs/dbraw/zinc/46/28/06/535462806.db2.gz BKXXZGHYKLSRGO-KRWDZBQOSA-N 2 0 362.474 0.119 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423414936 535503302 /nfs/dbraw/zinc/50/33/02/535503302.db2.gz OFFFJSLHGRBYAB-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000423595246 535549070 /nfs/dbraw/zinc/54/90/70/535549070.db2.gz PPECWHYSTWIMPH-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000423448944 535549543 /nfs/dbraw/zinc/54/95/43/535549543.db2.gz QWRCDAHFQYSSPM-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423451468 535549577 /nfs/dbraw/zinc/54/95/77/535549577.db2.gz VEELEXSNIXDKNU-IRXDYDNUSA-N 2 0 368.522 0.533 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418949586 535651870 /nfs/dbraw/zinc/65/18/70/535651870.db2.gz VBFBYCOAPBLHGO-GJZGRUSLSA-N 2 0 366.462 0.273 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369324 535652670 /nfs/dbraw/zinc/65/26/70/535652670.db2.gz HMHCUPLIYASZTF-QZTJIDSGSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000419382432 535669491 /nfs/dbraw/zinc/66/94/91/535669491.db2.gz YXVNGMOEDOALBJ-QYZOEREBSA-N 2 0 372.513 0.876 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)Cc1ccccc1 ZINC000419371488 535669606 /nfs/dbraw/zinc/66/96/06/535669606.db2.gz KXNLXRFKCMYNNT-WMZOPIPTSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Cc1ccccc1 ZINC000419371485 535669735 /nfs/dbraw/zinc/66/97/35/535669735.db2.gz KXNLXRFKCMYNNT-AEFFLSMTSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419773072 535894624 /nfs/dbraw/zinc/89/46/24/535894624.db2.gz IPLJRQJGWYHMCE-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]CC2)cc1Cl ZINC000415282679 535906108 /nfs/dbraw/zinc/90/61/08/535906108.db2.gz LCMPPEAGZAWTQI-UHFFFAOYSA-N 2 0 354.838 0.651 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419711969 535927133 /nfs/dbraw/zinc/92/71/33/535927133.db2.gz OJWXNXMNKMWTGL-MSOLQXFVSA-N 2 0 358.486 0.475 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000419647848 536027941 /nfs/dbraw/zinc/02/79/41/536027941.db2.gz RTLWAZLBBDJNIL-UHFFFAOYSA-N 2 0 358.486 0.967 20 0 FCADRP CC[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423829566 536110999 /nfs/dbraw/zinc/11/09/99/536110999.db2.gz TXVONPXJKGGYCI-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000419405046 536122762 /nfs/dbraw/zinc/12/27/62/536122762.db2.gz HCCCSYGDBUKXNW-HOTGVXAUSA-N 2 0 366.437 0.039 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424494568 536355581 /nfs/dbraw/zinc/35/55/81/536355581.db2.gz NSLYZNOQRVYWSM-IPMKNSEASA-N 2 0 370.497 0.930 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480054 536356492 /nfs/dbraw/zinc/35/64/92/536356492.db2.gz OQQJPMFBNAJNLN-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419152546 536416916 /nfs/dbraw/zinc/41/69/16/536416916.db2.gz ONSOEZFPFCUGDD-CABCVRRESA-N 2 0 364.515 0.897 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419835705 536449042 /nfs/dbraw/zinc/44/90/42/536449042.db2.gz AOZFQZYJAYUHJL-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419196152 536449926 /nfs/dbraw/zinc/44/99/26/536449926.db2.gz WPNKZCKKMZBZTK-MRXNPFEDSA-N 2 0 360.502 0.781 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000419756364 536481293 /nfs/dbraw/zinc/48/12/93/536481293.db2.gz AURHBDYBYVSEFW-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419678282 536779705 /nfs/dbraw/zinc/77/97/05/536779705.db2.gz OBIUZTULRSTDBF-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)c1 ZINC000419861563 537113762 /nfs/dbraw/zinc/11/37/62/537113762.db2.gz BXQPWTFKOSMJKY-UHFFFAOYSA-N 2 0 361.446 0.125 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC000948385917 674376259 /nfs/dbraw/zinc/37/62/59/674376259.db2.gz RGAVSMCOFWOIIZ-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000080064537 546568921 /nfs/dbraw/zinc/56/89/21/546568921.db2.gz ZLCHZLKXIVPMTM-HZPDHXFCSA-N 2 0 356.511 0.896 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC000636243471 546574752 /nfs/dbraw/zinc/57/47/52/546574752.db2.gz SIROSHSCOREIFM-OAHLLOKOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000591640616 546595703 /nfs/dbraw/zinc/59/57/03/546595703.db2.gz AFJKDVONPGWBPE-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940190 546872569 /nfs/dbraw/zinc/87/25/69/546872569.db2.gz PCMFIQKZAVWGQG-ZOWXZIJZSA-N 2 0 354.476 0.720 20 0 FCADRP C[N@H+](CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641792477 546958198 /nfs/dbraw/zinc/95/81/98/546958198.db2.gz WBLDAWMRVCOELO-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCC[NH+](C)C)CC1 ZINC000539284056 547024928 /nfs/dbraw/zinc/02/49/28/547024928.db2.gz RXJLRIZQYCCKQN-UHFFFAOYSA-N 2 0 350.467 0.546 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000550133419 547079114 /nfs/dbraw/zinc/07/91/14/547079114.db2.gz OCRDWAHYQMEWGX-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000550653519 547094863 /nfs/dbraw/zinc/09/48/63/547094863.db2.gz KMSVYXWLYCCVLH-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(F)ccc1F ZINC000550856305 547112114 /nfs/dbraw/zinc/11/21/14/547112114.db2.gz QOOLCMBAWLJNLR-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000550957129 547117346 /nfs/dbraw/zinc/11/73/46/547117346.db2.gz IZRDACOAMRQFGS-OAHLLOKOSA-N 2 0 356.511 0.260 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+](C)CCOC ZINC000550954080 547117533 /nfs/dbraw/zinc/11/75/33/547117533.db2.gz GLSDYUMKDYVDMU-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000551039115 547121176 /nfs/dbraw/zinc/12/11/76/547121176.db2.gz LGFNEVCVPRSGIF-QGZVFWFLSA-N 2 0 357.568 0.749 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000552192434 547194714 /nfs/dbraw/zinc/19/47/14/547194714.db2.gz SZKUIYRJMMNOEA-LSDHHAIUSA-N 2 0 354.495 0.155 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000552856634 547236127 /nfs/dbraw/zinc/23/61/27/547236127.db2.gz NHCUWCKDBGFVEE-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000553734869 547304254 /nfs/dbraw/zinc/30/42/54/547304254.db2.gz OKZONZAFDLTILR-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000948994823 674391595 /nfs/dbraw/zinc/39/15/95/674391595.db2.gz JQLDOPFMMDQCDT-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206093 674397280 /nfs/dbraw/zinc/39/72/80/674397280.db2.gz LTFPNTAAWUBBOL-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000141475496 568295693 /nfs/dbraw/zinc/29/56/93/568295693.db2.gz NNUPQKFPAQIOLV-SJORKVTESA-N 2 0 363.506 0.419 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736858414 598285719 /nfs/dbraw/zinc/28/57/19/598285719.db2.gz ZXOHAMCDSPICBR-UHFFFAOYSA-N 2 0 370.465 0.027 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000736767899 598287179 /nfs/dbraw/zinc/28/71/79/598287179.db2.gz TXWPKGXYZJFSBD-MRXNPFEDSA-N 2 0 357.462 0.709 20 0 FCADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735618957 598522695 /nfs/dbraw/zinc/52/26/95/598522695.db2.gz OMELTEZZWQOJRW-LBPRGKRZSA-N 2 0 359.482 0.957 20 0 FCADRP CCCC[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736457943 598527392 /nfs/dbraw/zinc/52/73/92/598527392.db2.gz SDZSENBXZNPYKN-ZDUSSCGKSA-N 2 0 359.482 0.959 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000821277751 599403485 /nfs/dbraw/zinc/40/34/85/599403485.db2.gz XCCYPNHWQBKSTI-UHFFFAOYSA-N 2 0 359.478 0.993 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000953948538 674486831 /nfs/dbraw/zinc/48/68/31/674486831.db2.gz VPJPGGZMYPNWKD-HLLBOEOZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000954840131 674505946 /nfs/dbraw/zinc/50/59/46/674505946.db2.gz LISREEDKOAWWDD-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821268440 606284864 /nfs/dbraw/zinc/28/48/64/606284864.db2.gz XFBBEKXNUIHCCD-HNNXBMFYSA-N 2 0 374.493 0.693 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[NH+](C)C ZINC000957099905 674535544 /nfs/dbraw/zinc/53/55/44/674535544.db2.gz GAPZDNNBORMGRX-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958166636 674560164 /nfs/dbraw/zinc/56/01/64/674560164.db2.gz VTPILQJCDPBAGO-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897590649 665740682 /nfs/dbraw/zinc/74/06/82/665740682.db2.gz HOJBFCADURUZFY-HNNXBMFYSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000897661047 665761685 /nfs/dbraw/zinc/76/16/85/665761685.db2.gz RTQSRBIBQNJIBB-KRWDZBQOSA-N 2 0 351.491 0.811 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COCC[C@H]1OC ZINC000898097797 665803302 /nfs/dbraw/zinc/80/33/02/665803302.db2.gz GYHMIIFJEQTFEY-GVDBMIGSSA-N 2 0 356.511 0.848 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000898471112 665879071 /nfs/dbraw/zinc/87/90/71/665879071.db2.gz MFXNYCLYBBNBFG-UHFFFAOYSA-N 2 0 352.523 0.630 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C)CC[N@@H+]1C ZINC001020456955 663157537 /nfs/dbraw/zinc/15/75/37/663157537.db2.gz WQDMSHUDWZABJU-SMLCLMEVSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000969706767 663190419 /nfs/dbraw/zinc/19/04/19/663190419.db2.gz PHMSZEYARZDENL-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891445335 663397485 /nfs/dbraw/zinc/39/74/85/663397485.db2.gz LASSNHFUMJQIAX-BARDWOONSA-N 2 0 353.467 0.293 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@@H+]1C ZINC001022103657 663404593 /nfs/dbraw/zinc/40/45/93/663404593.db2.gz KCXPVCQIXRSJQU-GUIRCDHDSA-N 2 0 369.487 0.760 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022109564 663405844 /nfs/dbraw/zinc/40/58/44/663405844.db2.gz OVQINIXRLQCCAX-ARKGTOAJSA-N 2 0 357.520 0.388 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000891493183 663409889 /nfs/dbraw/zinc/40/98/89/663409889.db2.gz NIJCVPWSOJCNSB-KRWDZBQOSA-N 2 0 350.463 0.929 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000891513451 663410759 /nfs/dbraw/zinc/41/07/59/663410759.db2.gz CIPGULPBMJUUHN-BZUAXINKSA-N 2 0 352.479 0.308 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891536208 663413064 /nfs/dbraw/zinc/41/30/64/663413064.db2.gz PVRGSFSDUKVNLF-CVEARBPZSA-N 2 0 351.495 0.465 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000891694370 663428061 /nfs/dbraw/zinc/42/80/61/663428061.db2.gz MARMKQBUOFODMP-QEJZJMRPSA-N 2 0 360.449 0.908 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891977215 663460613 /nfs/dbraw/zinc/46/06/13/663460613.db2.gz ZFGXZDOLRUQBGQ-KRWDZBQOSA-N 2 0 353.511 0.082 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892109030 663477397 /nfs/dbraw/zinc/47/73/97/663477397.db2.gz YLCKTMTZZTWRQM-MNOVXSKESA-N 2 0 373.370 0.367 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001022737520 663507227 /nfs/dbraw/zinc/50/72/27/663507227.db2.gz WSGMQBMIKOCDCA-MWDXBVQZSA-N 2 0 352.523 0.972 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892265760 663510177 /nfs/dbraw/zinc/51/01/77/663510177.db2.gz RTOVMRLLQRMKEW-UHFFFAOYSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000892292292 663523035 /nfs/dbraw/zinc/52/30/35/663523035.db2.gz AEFJGMKDSUVJMN-HUUCEWRRSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000959659255 674582387 /nfs/dbraw/zinc/58/23/87/674582387.db2.gz WQQNUXFLEBRVFH-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnnn2C)O1 ZINC001024997880 664034113 /nfs/dbraw/zinc/03/41/13/664034113.db2.gz BDAYEZAMLSQXNO-IIAWOOMASA-N 2 0 350.467 0.005 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649375 664058871 /nfs/dbraw/zinc/05/88/71/664058871.db2.gz LDAMPWZVZLYQNL-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000892651519 664059175 /nfs/dbraw/zinc/05/91/75/664059175.db2.gz ZJJYHDAZCMNMEK-JYJNAYRXSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000973271210 664092031 /nfs/dbraw/zinc/09/20/31/664092031.db2.gz UWGBZTWOMZIIDV-MWQQHZPXSA-N 2 0 350.507 0.822 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973331051 664098043 /nfs/dbraw/zinc/09/80/43/664098043.db2.gz GVEIDIGDIOMBPO-HHARLNAUSA-N 2 0 350.507 0.964 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973331052 664098104 /nfs/dbraw/zinc/09/81/04/664098104.db2.gz GVEIDIGDIOMBPO-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000973334086 664100078 /nfs/dbraw/zinc/10/00/78/664100078.db2.gz YDITZKVUEBQRNP-VIQHNZTISA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892751225 664136438 /nfs/dbraw/zinc/13/64/38/664136438.db2.gz MYPGSHHXBMYVLX-ZBFHGGJFSA-N 2 0 352.504 0.746 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000892764664 664138851 /nfs/dbraw/zinc/13/88/51/664138851.db2.gz VZUNJVZRRFSWBR-JYJNAYRXSA-N 2 0 354.495 0.242 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@H](C)N1CCOCC1 ZINC000892837529 664149057 /nfs/dbraw/zinc/14/90/57/664149057.db2.gz CTOUOGCLXLAOCL-MWDXBVQZSA-N 2 0 354.495 0.336 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892837079 664149082 /nfs/dbraw/zinc/14/90/82/664149082.db2.gz WFHNPDRLMJYWQK-UHFFFAOYSA-N 2 0 354.495 0.387 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000892880917 664152375 /nfs/dbraw/zinc/15/23/75/664152375.db2.gz LOIXVILZWNSWTM-ZDUSSCGKSA-N 2 0 365.503 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000974191478 664227598 /nfs/dbraw/zinc/22/75/98/664227598.db2.gz CVPDFVLJKXADNF-ZOFXXKQRSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000974191476 664227620 /nfs/dbraw/zinc/22/76/20/664227620.db2.gz CVPDFVLJKXADNF-UHDSXZAQSA-N 2 0 350.507 0.822 20 0 FCADRP Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)s1 ZINC001026913469 664276727 /nfs/dbraw/zinc/27/67/27/664276727.db2.gz ACLFGZOADWAZGL-MRVWCRGKSA-N 2 0 353.492 0.504 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000978870028 664447316 /nfs/dbraw/zinc/44/73/16/664447316.db2.gz ONDWSIAXLPTSRO-OVYGPGRDSA-N 2 0 350.507 0.679 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC000983707937 664985309 /nfs/dbraw/zinc/98/53/09/664985309.db2.gz GHPYWGVGGCASCG-WRQOLXDDSA-N 2 0 350.507 0.820 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000983708673 664985324 /nfs/dbraw/zinc/98/53/24/664985324.db2.gz MFYGOJMGFAGCBV-MWQQHZPXSA-N 2 0 371.547 0.636 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000895743418 665057819 /nfs/dbraw/zinc/05/78/19/665057819.db2.gz IAFOIFDRMNXJRU-UHFFFAOYSA-N 2 0 351.491 0.668 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896540964 665092545 /nfs/dbraw/zinc/09/25/45/665092545.db2.gz HDRRZFQFTPRXQD-UAGQMJEPSA-N 2 0 354.564 0.954 20 0 FCADRP CC(C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000896707938 665104011 /nfs/dbraw/zinc/10/40/11/665104011.db2.gz KHRSTODEOJKCSX-SFHVURJKSA-N 2 0 352.523 0.485 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000985065715 665130131 /nfs/dbraw/zinc/13/01/31/665130131.db2.gz MFQWYKMYJPCFJO-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985160742 665138040 /nfs/dbraw/zinc/13/80/40/665138040.db2.gz KPKIKJGFSLIWBA-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728452290 665146768 /nfs/dbraw/zinc/14/67/68/665146768.db2.gz ZVOKWJDFYRVTET-UHFFFAOYSA-N 2 0 369.579 0.689 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1)[NH+](C)C ZINC000986327900 665209289 /nfs/dbraw/zinc/20/92/89/665209289.db2.gz LLHVJNFDEMMHMP-YYIAUSFCSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001029966520 665219681 /nfs/dbraw/zinc/21/96/81/665219681.db2.gz WKDSHLOCJMAERA-DJIMGWMZSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000897433502 665258788 /nfs/dbraw/zinc/25/87/88/665258788.db2.gz XUWWWGFCWWBTGL-MRXNPFEDSA-N 2 0 351.495 0.278 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)CC[N@@H+]1C ZINC000988782314 665314389 /nfs/dbraw/zinc/31/43/89/665314389.db2.gz ITJWQNBSLDWDKN-SRABZTEZSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000989050171 665337623 /nfs/dbraw/zinc/33/76/23/665337623.db2.gz IBTBPMXWFPVEMX-VYDXJSESSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504559 666361711 /nfs/dbraw/zinc/36/17/11/666361711.db2.gz LAUFUAGRNZWZCT-UHFFFAOYSA-N 2 0 354.401 0.463 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)C2)CC1 ZINC000911559827 666366159 /nfs/dbraw/zinc/36/61/59/666366159.db2.gz ZDZDAEQTAZHXLF-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@@H](C)O1 ZINC000911564294 666366953 /nfs/dbraw/zinc/36/69/53/666366953.db2.gz SJFQCPUHDBNZSE-OAGGEKHMSA-N 2 0 354.495 0.250 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564714 666367274 /nfs/dbraw/zinc/36/72/74/666367274.db2.gz VJHMLCHONBTYGD-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000992401586 666636106 /nfs/dbraw/zinc/63/61/06/666636106.db2.gz RNPUYKDUYGGWOV-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000914155395 666709892 /nfs/dbraw/zinc/70/98/92/666709892.db2.gz ADFBXFKFZRTXGS-AEFFLSMTSA-N 2 0 373.563 0.827 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc2c1COC2=O ZINC000732815355 666901997 /nfs/dbraw/zinc/90/19/97/666901997.db2.gz MJAKTHLQHWPZDA-UHFFFAOYSA-N 2 0 355.460 0.471 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000993821417 666940347 /nfs/dbraw/zinc/94/03/47/666940347.db2.gz VXSULMUNVZYODH-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000997389716 667146880 /nfs/dbraw/zinc/14/68/80/667146880.db2.gz JSZQYMKXJJSWOE-JKSUJKDBSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985426 667258675 /nfs/dbraw/zinc/25/86/75/667258675.db2.gz CCELKIWSWYYTPI-FVQBIDKESA-N 2 0 350.467 0.128 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001002263249 667527739 /nfs/dbraw/zinc/52/77/39/667527739.db2.gz NBCOHUNHFBURHG-BHYGNILZSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001002860319 667572430 /nfs/dbraw/zinc/57/24/30/667572430.db2.gz ZXUNHWHHDBOUAZ-JKSUJKDBSA-N 2 0 351.495 0.323 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348716 667642418 /nfs/dbraw/zinc/64/24/18/667642418.db2.gz WVHFCKXFIJIQGV-MSOLQXFVSA-N 2 0 352.523 0.774 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348717 667642677 /nfs/dbraw/zinc/64/26/77/667642677.db2.gz WVHFCKXFIJIQGV-QZTJIDSGSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922349314 667642936 /nfs/dbraw/zinc/64/29/36/667642936.db2.gz SDBIVXLTQZHVCL-KZNAEPCWSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922349313 667642981 /nfs/dbraw/zinc/64/29/81/667642981.db2.gz SDBIVXLTQZHVCL-KURKYZTESA-N 2 0 352.523 0.772 20 0 FCADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091052 667669768 /nfs/dbraw/zinc/66/97/68/667669768.db2.gz JTDJDHJNGGVGSJ-KSZLIROESA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595157 667676071 /nfs/dbraw/zinc/67/60/71/667676071.db2.gz LHMBZEAIAAQESA-WCXIOVBPSA-N 2 0 371.547 0.542 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001005407711 667740042 /nfs/dbraw/zinc/74/00/42/667740042.db2.gz QKUWFSFIOMTMFR-YUELXQCFSA-N 2 0 350.463 0.055 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001034649734 667762445 /nfs/dbraw/zinc/76/24/45/667762445.db2.gz RREIIGFGPDNJTC-LUKYLMHMSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280895 667821794 /nfs/dbraw/zinc/82/17/94/667821794.db2.gz LSBBLQAYQBPYFW-DZGCQCFKSA-N 2 0 355.866 0.867 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923346248 667827153 /nfs/dbraw/zinc/82/71/53/667827153.db2.gz QOXQYDFIJSRMJT-CVEARBPZSA-N 2 0 353.438 0.885 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923535195 667846421 /nfs/dbraw/zinc/84/64/21/667846421.db2.gz ZJJANZDRPQUKAK-IEBWSBKVSA-N 2 0 352.523 0.677 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000946916194 667847534 /nfs/dbraw/zinc/84/75/34/667847534.db2.gz NZDRPOKKXNNSDP-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000764500891 667985390 /nfs/dbraw/zinc/98/53/90/667985390.db2.gz ASJHCROHMNHUEL-CVEARBPZSA-N 2 0 367.563 0.584 20 0 FCADRP Cc1noc(C)c1CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000839285763 667990509 /nfs/dbraw/zinc/99/05/09/667990509.db2.gz HDDHBTXWOVFRRK-UHFFFAOYSA-N 2 0 353.467 0.202 20 0 FCADRP C[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000742532467 668037002 /nfs/dbraw/zinc/03/70/02/668037002.db2.gz MITNQERHPNJBDI-AOOOYVTPSA-N 2 0 358.380 0.390 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000788252021 668821461 /nfs/dbraw/zinc/82/14/61/668821461.db2.gz NLAYBJIKJHCHEQ-PBHICJAKSA-N 2 0 356.536 0.531 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000790051873 668871111 /nfs/dbraw/zinc/87/11/11/668871111.db2.gz XTRKAYNSPDXBQF-ZDUSSCGKSA-N 2 0 357.524 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701381 668943093 /nfs/dbraw/zinc/94/30/93/668943093.db2.gz PYGVQOJPNMOIEB-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCCCC1 ZINC000793728581 668945952 /nfs/dbraw/zinc/94/59/52/668945952.db2.gz VQZWLAIWJBTYDM-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058043 668975285 /nfs/dbraw/zinc/97/52/85/668975285.db2.gz CYWZRFXRUJKVPX-CRAIPNDOSA-N 2 0 358.527 0.735 20 0 FCADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NCCCN3CCCC3=O)C2)CC1 ZINC000799178695 669287712 /nfs/dbraw/zinc/28/77/12/669287712.db2.gz DHWHEVUAFPDRDT-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000831290678 669839210 /nfs/dbraw/zinc/83/92/10/669839210.db2.gz DQKXIZCXGPTBPZ-HOTGVXAUSA-N 2 0 353.511 0.795 20 0 FCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817945647 670050083 /nfs/dbraw/zinc/05/00/83/670050083.db2.gz ISEZYSZHTDPZDS-NSHDSACASA-N 2 0 361.414 0.765 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)([NH+](C)C)C1 ZINC000842034912 670629115 /nfs/dbraw/zinc/62/91/15/670629115.db2.gz DGNSDPIOOCJHML-MNEFBYGVSA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000842480896 670693123 /nfs/dbraw/zinc/69/31/23/670693123.db2.gz DQZVIKLYACJKGD-UHFFFAOYSA-N 2 0 363.867 0.815 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C2=O ZINC000842619126 670702826 /nfs/dbraw/zinc/70/28/26/670702826.db2.gz UHMGARYZSMYIOT-HUUCEWRRSA-N 2 0 350.463 0.851 20 0 FCADRP [NH3+]CC1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000843344909 670801993 /nfs/dbraw/zinc/80/19/93/670801993.db2.gz GSUOIIQHZLZGMM-UHFFFAOYSA-N 2 0 351.451 0.333 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362928 670807293 /nfs/dbraw/zinc/80/72/93/670807293.db2.gz VIUDKVBIKSIWMR-CHWSQXEVSA-N 2 0 351.451 0.332 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646260 671134601 /nfs/dbraw/zinc/13/46/01/671134601.db2.gz BFLXJZGQPNJDGP-LSDHHAIUSA-N 2 0 352.479 0.461 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968010517 675177716 /nfs/dbraw/zinc/17/77/16/675177716.db2.gz RCXZVHRRPORBIC-OIISXLGYSA-N 2 0 352.523 0.972 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000968014598 675178053 /nfs/dbraw/zinc/17/80/53/675178053.db2.gz WXYXQDHXQDTPRG-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000849111124 671318185 /nfs/dbraw/zinc/31/81/85/671318185.db2.gz UBSOIHKSAXWTBW-CQSZACIVSA-N 2 0 357.499 0.982 20 0 FCADRP CCCCNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511111 675935972 /nfs/dbraw/zinc/93/59/72/675935972.db2.gz PARCVNHDXCXADT-IYBDPMFKSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000859293602 671811179 /nfs/dbraw/zinc/81/11/79/671811179.db2.gz JBJHNJGSFCBVMS-GEEKYZPCSA-N 2 0 368.598 0.923 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000861729026 671988009 /nfs/dbraw/zinc/98/80/09/671988009.db2.gz RZNWNMMWUHPQTI-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000861742274 671989594 /nfs/dbraw/zinc/98/95/94/671989594.db2.gz FXDJBDNLDWSRDD-CYBMUJFWSA-N 2 0 352.504 0.882 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863316437 672112849 /nfs/dbraw/zinc/11/28/49/672112849.db2.gz NORPVMPZMGMWBU-KGLIPLIRSA-N 2 0 358.483 0.014 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863763595 672151091 /nfs/dbraw/zinc/15/10/91/672151091.db2.gz FYTPLKSNTNUOSV-HNNXBMFYSA-N 2 0 356.511 0.389 20 0 FCADRP C[NH+]1CCC(CNC(=O)C(F)(F)C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000865922919 672256081 /nfs/dbraw/zinc/25/60/81/672256081.db2.gz PMJWHBQBGWPUIS-UHFFFAOYSA-N 2 0 360.449 0.538 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000866554810 672282081 /nfs/dbraw/zinc/28/20/81/672282081.db2.gz ULHYGGHBBHCAKG-UHFFFAOYSA-N 2 0 360.568 0.806 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@@H+]1C ZINC001054135100 676001094 /nfs/dbraw/zinc/00/10/94/676001094.db2.gz VBZSPATZEAUCAR-GPMSIDNRSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCN(C2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC000867817072 672371732 /nfs/dbraw/zinc/37/17/32/672371732.db2.gz RQOVNYBGDZCJOC-UHFFFAOYSA-N 2 0 358.552 0.514 20 0 FCADRP CC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055511396 676021804 /nfs/dbraw/zinc/02/18/04/676021804.db2.gz IMNMPRRIIJZIAO-NVXWUHKLSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3(C)CC3)CC2)CC[N@@H+]1C ZINC001055583217 676025075 /nfs/dbraw/zinc/02/50/75/676025075.db2.gz DUCBTGRDLXCLCI-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)=CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583310 676025497 /nfs/dbraw/zinc/02/54/97/676025497.db2.gz ILQGUBNDHYUIFL-NVXWUHKLSA-N 2 0 350.507 0.990 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210263 672712264 /nfs/dbraw/zinc/71/22/64/672712264.db2.gz AKMQUTPQXVPGGV-UHFFFAOYSA-N 2 0 366.531 0.616 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C1\SCC(=O)N1C ZINC000874266293 672771704 /nfs/dbraw/zinc/77/17/04/672771704.db2.gz IOOWMBWWMPEBGS-FMNVXAMXSA-N 2 0 354.520 0.908 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC001050050869 676077985 /nfs/dbraw/zinc/07/79/85/676077985.db2.gz JGMFYBQQINNCGR-MWDXBVQZSA-N 2 0 350.507 0.728 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876849205 672982786 /nfs/dbraw/zinc/98/27/86/672982786.db2.gz QRCZIPAWKOHLDY-CYBMUJFWSA-N 2 0 366.487 0.896 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248662 673107349 /nfs/dbraw/zinc/10/73/49/673107349.db2.gz WQKQEQIJXFZACS-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000881735670 673238018 /nfs/dbraw/zinc/23/80/18/673238018.db2.gz OOTIIBGRNHPGCY-QFIPXVFZSA-N 2 0 371.573 0.011 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001052395078 676122709 /nfs/dbraw/zinc/12/27/09/676122709.db2.gz KJTJTQHUEIBLQG-BHYGNILZSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001052395079 676122926 /nfs/dbraw/zinc/12/29/26/676122926.db2.gz KJTJTQHUEIBLQG-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000882471638 673313860 /nfs/dbraw/zinc/31/38/60/673313860.db2.gz YOAWPZVXWXHTFO-BRWVUGGUSA-N 2 0 361.552 0.947 20 0 FCADRP CCC1([NH3+])CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000883483281 673379404 /nfs/dbraw/zinc/37/94/04/673379404.db2.gz ZVCQRGSFMQEAQT-UHFFFAOYSA-N 2 0 357.524 0.954 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000883647347 673388446 /nfs/dbraw/zinc/38/84/46/673388446.db2.gz RIKFQFKGJAXEFZ-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000883646273 673388543 /nfs/dbraw/zinc/38/85/43/673388543.db2.gz LZZPKVXMCVVCBU-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884486258 673456654 /nfs/dbraw/zinc/45/66/54/673456654.db2.gz RQKLFLMXNLHLKJ-ILXRZTDVSA-N 2 0 362.499 0.649 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@H]1C[NH3+] ZINC000884508171 673458329 /nfs/dbraw/zinc/45/83/29/673458329.db2.gz WSNNONAHMUCOIV-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCC1 ZINC000884529728 673460181 /nfs/dbraw/zinc/46/01/81/673460181.db2.gz VCZLDZKSVNDIFV-MNOVXSKESA-N 2 0 350.385 0.183 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884546179 673461074 /nfs/dbraw/zinc/46/10/74/673461074.db2.gz CHTAKOHGAUBXBP-RYUDHWBXSA-N 2 0 352.401 0.430 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000884576387 673463153 /nfs/dbraw/zinc/46/31/53/673463153.db2.gz GSAJVSZQGSMHLE-LJQANCHMSA-N 2 0 350.507 0.827 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000884576997 673463709 /nfs/dbraw/zinc/46/37/09/673463709.db2.gz VJTWRRVGPNJZKL-HZPDHXFCSA-N 2 0 350.438 0.755 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611972 673465835 /nfs/dbraw/zinc/46/58/35/673465835.db2.gz AEBCILGWQHRFPA-MSOLQXFVSA-N 2 0 370.563 0.763 20 0 FCADRP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1(C[NH3+])CCCCC1 ZINC000884612106 673465861 /nfs/dbraw/zinc/46/58/61/673465861.db2.gz DGGYWLQVFQPNSR-KRWDZBQOSA-N 2 0 356.536 0.660 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000884631477 673468071 /nfs/dbraw/zinc/46/80/71/673468071.db2.gz LRKOBSNBOPMSBH-AGIUHOORSA-N 2 0 362.396 0.183 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884637691 673468687 /nfs/dbraw/zinc/46/86/87/673468687.db2.gz XPMMEJRUANARHY-SFHVURJKSA-N 2 0 354.495 0.063 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884637098 673468772 /nfs/dbraw/zinc/46/87/72/673468772.db2.gz AOMTUTQPNLSTJV-GOSISDBHSA-N 2 0 356.511 0.294 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000884640898 673468985 /nfs/dbraw/zinc/46/89/85/673468985.db2.gz UDFVGYUKRMARKZ-IBGZPJMESA-N 2 0 350.507 0.969 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884656632 673470093 /nfs/dbraw/zinc/47/00/93/673470093.db2.gz NXKZPQODIJOTDX-ZIAGYGMSSA-N 2 0 354.495 0.045 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[NH2+]C1 ZINC000884663660 673470611 /nfs/dbraw/zinc/47/06/11/673470611.db2.gz SALQOADJHJLHGR-OAHLLOKOSA-N 2 0 350.507 0.871 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000884663522 673470659 /nfs/dbraw/zinc/47/06/59/673470659.db2.gz OZCXUUUGPGGHLT-OAHLLOKOSA-N 2 0 350.507 0.871 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000884675322 673471537 /nfs/dbraw/zinc/47/15/37/673471537.db2.gz ZRPBBSWKWJOINZ-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000884680995 673472188 /nfs/dbraw/zinc/47/21/88/673472188.db2.gz IZRLPXYSOUCDOO-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000884797187 673482965 /nfs/dbraw/zinc/48/29/65/673482965.db2.gz QPNFWKSOCUCICK-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[NH2+]C1 ZINC000884876371 673487970 /nfs/dbraw/zinc/48/79/70/673487970.db2.gz AFWOBSIKOMIZMI-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884909207 673490510 /nfs/dbraw/zinc/49/05/10/673490510.db2.gz UBMMVSGMLLOKPZ-XIRDDKMYSA-N 2 0 350.507 0.810 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884954335 673493139 /nfs/dbraw/zinc/49/31/39/673493139.db2.gz CMLLYQBMVBXXBZ-JKSUJKDBSA-N 2 0 369.535 0.967 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884971440 673494692 /nfs/dbraw/zinc/49/46/92/673494692.db2.gz BFVHYAPQIURSDJ-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884975712 673494941 /nfs/dbraw/zinc/49/49/41/673494941.db2.gz GLKVFFUMJNHCLH-LJQANCHMSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974130 673495049 /nfs/dbraw/zinc/49/50/49/673495049.db2.gz NDQKCNKHESQPJT-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000884976657 673495243 /nfs/dbraw/zinc/49/52/43/673495243.db2.gz WMIOJERHWAOWRL-VQIMIIECSA-N 2 0 350.507 0.953 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC[C@H]21 ZINC000885286344 673512231 /nfs/dbraw/zinc/51/22/31/673512231.db2.gz WOAAXJBOYJCJDH-HZSPNIEDSA-N 2 0 358.433 0.290 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000887062928 673617242 /nfs/dbraw/zinc/61/72/42/673617242.db2.gz JQAXLBVXJMIRPK-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924661629 673760876 /nfs/dbraw/zinc/76/08/76/673760876.db2.gz OXPGVJGVPQTVJP-INIZCTEOSA-N 2 0 360.568 0.664 20 0 FCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704471 673761398 /nfs/dbraw/zinc/76/13/98/673761398.db2.gz FLVPFQNHFUYGKB-KGLIPLIRSA-N 2 0 353.488 0.938 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@@H]1CCOC1 ZINC000927520321 673865250 /nfs/dbraw/zinc/86/52/50/673865250.db2.gz WNWXQPFHEDLJFT-IAGOWNOFSA-N 2 0 356.511 0.849 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927630159 673870972 /nfs/dbraw/zinc/87/09/72/673870972.db2.gz NFQORMBIRPBWIX-HOCLYGCPSA-N 2 0 354.495 0.384 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929189490 673942669 /nfs/dbraw/zinc/94/26/69/673942669.db2.gz QFOQSGKELIZGHX-KBPBESRZSA-N 2 0 350.488 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)N2CCC2)CC[N@@H+]1C ZINC000968866621 675242132 /nfs/dbraw/zinc/24/21/32/675242132.db2.gz KZYBGLMOHCKESC-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001007376375 675288502 /nfs/dbraw/zinc/28/85/02/675288502.db2.gz JHLKOWHWEDQLSN-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001017487435 675411894 /nfs/dbraw/zinc/41/18/94/675411894.db2.gz OQLWJFLZPBKKOH-DJIMGWMZSA-N 2 0 350.507 0.942 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001020170928 675436208 /nfs/dbraw/zinc/43/62/08/675436208.db2.gz DNGCYYFNCLPTNN-BQJWPVKWSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@@H+]1C ZINC001020171875 675436585 /nfs/dbraw/zinc/43/65/85/675436585.db2.gz AOQNOPXZYGSMFN-QCODTGAPSA-N 2 0 350.507 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001045441002 675653869 /nfs/dbraw/zinc/65/38/69/675653869.db2.gz UCYUPNKEAZRMEM-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCOC)C3)CC2)CC[N@@H+]1C ZINC001046032465 675681083 /nfs/dbraw/zinc/68/10/83/675681083.db2.gz KGYKJQBCDPEETG-OKZBNKHCSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900805749 675718407 /nfs/dbraw/zinc/71/84/07/675718407.db2.gz QERVLAMKDXAPRT-SJORKVTESA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385069 675795781 /nfs/dbraw/zinc/79/57/81/675795781.db2.gz WWSOJJYAUGWMCF-BGTYHANMSA-N 2 0 353.507 0.647 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001746134737 1192203231 /nfs/dbraw/zinc/20/32/31/1192203231.db2.gz GLKVKSLSTWTZAL-OAHLLOKOSA-N 2 0 365.526 0.527 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193675 1168276208 /nfs/dbraw/zinc/27/62/08/1168276208.db2.gz COEJATFJTXDKPN-ZYSHUDEJSA-N 2 0 361.486 0.697 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001272095763 1192322606 /nfs/dbraw/zinc/32/26/06/1192322606.db2.gz ADEFVWATOVUPGW-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104265051 1168847299 /nfs/dbraw/zinc/84/72/99/1168847299.db2.gz QXKNUZJWLLXJKN-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001021235599 1168848320 /nfs/dbraw/zinc/84/83/20/1168848320.db2.gz JWFZVBPJYSWTRT-JCGIZDLHSA-N 2 0 371.485 0.915 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001021262665 1168883240 /nfs/dbraw/zinc/88/32/40/1168883240.db2.gz VAVWOZFOGUDQDR-VAQLIOGMSA-N 2 0 362.478 0.060 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001021385147 1169191590 /nfs/dbraw/zinc/19/15/90/1169191590.db2.gz OHALMMCHCRFPDS-SLUKUZTOSA-N 2 0 371.485 0.914 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104291933 1169660077 /nfs/dbraw/zinc/66/00/77/1169660077.db2.gz AESISTDVBOKSKT-OIISXLGYSA-N 2 0 365.522 0.426 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001021712182 1169913456 /nfs/dbraw/zinc/91/34/56/1169913456.db2.gz JRWCSQVCKXZZID-BHYGNILZSA-N 2 0 359.474 0.593 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001021711892 1169913826 /nfs/dbraw/zinc/91/38/26/1169913826.db2.gz FOEGBFKUEISENR-GOEBONIOSA-N 2 0 356.430 0.525 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891339456 1169962233 /nfs/dbraw/zinc/96/22/33/1169962233.db2.gz BBTVVSSIHBMAOV-KRWDZBQOSA-N 2 0 367.538 0.470 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891350843 1170000313 /nfs/dbraw/zinc/00/03/13/1170000313.db2.gz VXKDCLAPKDYOND-QXSJWSMHSA-N 2 0 365.478 0.437 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000891356807 1170016230 /nfs/dbraw/zinc/01/62/30/1170016230.db2.gz RZXWOOGTRPBNMG-UHFFFAOYSA-N 2 0 369.554 0.862 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC001021802006 1170076343 /nfs/dbraw/zinc/07/63/43/1170076343.db2.gz SGMXKCREOZDRRA-YYIAUSFCSA-N 2 0 360.502 0.482 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC001021802636 1170076558 /nfs/dbraw/zinc/07/65/58/1170076558.db2.gz ICSWZGAXPOKHKH-BZZMCLGOSA-N 2 0 362.518 0.728 20 0 FCADRP CC(C)[C@@]1(CO)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000581474587 1170363664 /nfs/dbraw/zinc/36/36/64/1170363664.db2.gz LLGHKWZWQJBDOT-IBGZPJMESA-N 2 0 370.538 0.195 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891444150 1170507031 /nfs/dbraw/zinc/50/70/31/1170507031.db2.gz FFCAEWPJIXZSKK-QFBILLFUSA-N 2 0 358.490 0.917 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104368762 1170684534 /nfs/dbraw/zinc/68/45/34/1170684534.db2.gz JVXMKZSSMIYERI-HZPDHXFCSA-N 2 0 361.490 0.728 20 0 FCADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000891714042 1170833354 /nfs/dbraw/zinc/83/33/54/1170833354.db2.gz KMBNEQRQDPFRAD-IRXDYDNUSA-N 2 0 358.490 0.679 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)O1 ZINC000891728725 1170837229 /nfs/dbraw/zinc/83/72/29/1170837229.db2.gz OKCIWMRVQJNOMJ-XMTFNYHQSA-N 2 0 368.522 0.726 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000891830652 1170892350 /nfs/dbraw/zinc/89/23/50/1170892350.db2.gz SQDVGWCYZUFILX-MRXNPFEDSA-N 2 0 360.506 0.974 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)C1 ZINC001691268596 1171003384 /nfs/dbraw/zinc/00/33/84/1171003384.db2.gz VKBQJEHIKLWAKY-MELADBBJSA-N 2 0 365.503 0.908 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn2)CC1 ZINC000891860420 1171008080 /nfs/dbraw/zinc/00/80/80/1171008080.db2.gz GPNHVARGGSUUPT-HDICACEKSA-N 2 0 372.517 0.927 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C[NH2+]CCO ZINC001691325909 1171098233 /nfs/dbraw/zinc/09/82/33/1171098233.db2.gz ZJDFMLAIMBRLPZ-RHSMWYFYSA-N 2 0 359.430 0.326 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691329890 1171114134 /nfs/dbraw/zinc/11/41/34/1171114134.db2.gz AUTSFEDVFFQUHB-IAGOWNOFSA-N 2 0 364.494 0.073 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001691330160 1171115152 /nfs/dbraw/zinc/11/51/52/1171115152.db2.gz GHVXVPQWVRUYIT-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001691382131 1171243455 /nfs/dbraw/zinc/24/34/55/1171243455.db2.gz INORXWPEKMOQFW-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000891971082 1171361439 /nfs/dbraw/zinc/36/14/39/1171361439.db2.gz QSEOSXCBHPPBHQ-DOTOQJQBSA-N 2 0 365.522 0.747 20 0 FCADRP C[C@@]1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC[NH2+]C1 ZINC000892060446 1171542142 /nfs/dbraw/zinc/54/21/42/1171542142.db2.gz PXBJZLRGDINOSA-GOSISDBHSA-N 2 0 365.522 0.892 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000130568294 1171733954 /nfs/dbraw/zinc/73/39/54/1171733954.db2.gz OGVPSOBQYKMPAY-UHFFFAOYSA-N 2 0 372.473 0.763 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC1 ZINC000972145068 1171800162 /nfs/dbraw/zinc/80/01/62/1171800162.db2.gz YLGMPNBIYFWJSZ-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001022746300 1171852638 /nfs/dbraw/zinc/85/26/38/1171852638.db2.gz LTRWYWSATUIWON-HCXYKTFWSA-N 2 0 370.497 0.801 20 0 FCADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001022747278 1171855306 /nfs/dbraw/zinc/85/53/06/1171855306.db2.gz AHJIOTJGWRRJBS-WKULXVSPSA-N 2 0 358.486 0.833 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC000972238974 1171878379 /nfs/dbraw/zinc/87/83/79/1171878379.db2.gz XFZCZCLBIWUCLI-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CCC1 ZINC001083249500 1172020951 /nfs/dbraw/zinc/02/09/51/1172020951.db2.gz HXZAQRAVUCIKBQ-RCCFBDPRSA-N 2 0 363.502 0.809 20 0 FCADRP O=C(N1CCO[C@@H]2CN(CCO[C@@H]3CC3(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249502 1172021132 /nfs/dbraw/zinc/02/11/32/1172021132.db2.gz ICAJFSTZKXWAAN-RRFJBIMHSA-N 2 0 371.428 0.418 20 0 FCADRP Cc1cnc([C@@H](C)N2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cn1 ZINC001083249693 1172025370 /nfs/dbraw/zinc/02/53/70/1172025370.db2.gz RJNIUMKQSWKHNQ-BPQIPLTHSA-N 2 0 371.485 0.853 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC000972418094 1172101751 /nfs/dbraw/zinc/10/17/51/1172101751.db2.gz WMAXEXPQROHAAJ-QBPKDAKJSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000989230666 1192759624 /nfs/dbraw/zinc/75/96/24/1192759624.db2.gz BHYQNSWHTQAFRN-PMPSAXMXSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCN1CCNC1=O ZINC001088655550 1192802168 /nfs/dbraw/zinc/80/21/68/1192802168.db2.gz FGAOVAOORNHRQQ-CVEARBPZSA-N 2 0 363.506 0.467 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000897649530 1192839956 /nfs/dbraw/zinc/83/99/56/1192839956.db2.gz TVEQATGXMLQKPS-CABCVRRESA-N 2 0 359.474 0.718 20 0 FCADRP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872401 /nfs/dbraw/zinc/87/24/01/1192872401.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 0 361.490 0.480 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573125 1192888901 /nfs/dbraw/zinc/88/89/01/1192888901.db2.gz KACNMYQAXRRYBR-PMPSAXMXSA-N 2 0 350.507 0.633 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892330036 1178889472 /nfs/dbraw/zinc/88/94/72/1178889472.db2.gz UBAIBULLOXFDAZ-MRXNPFEDSA-N 2 0 359.474 0.329 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001087236742 1179069769 /nfs/dbraw/zinc/06/97/69/1179069769.db2.gz JLMYTSCIJHVZCI-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001023444889 1179748131 /nfs/dbraw/zinc/74/81/31/1179748131.db2.gz ZLJGAWBHDUMXSH-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CCN(C(=O)CCc2cncn2C)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087241702 1179749355 /nfs/dbraw/zinc/74/93/55/1179749355.db2.gz JKDQKRADIUSANX-HYVNUMGLSA-N 2 0 361.490 0.800 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)[NH2+]C1 ZINC000892379096 1180006123 /nfs/dbraw/zinc/00/61/23/1180006123.db2.gz YDSWUZUWVQVXCJ-BARDWOONSA-N 2 0 365.478 0.341 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21)C1CC1 ZINC000972649079 1180187343 /nfs/dbraw/zinc/18/73/43/1180187343.db2.gz MZOWPLSNHIXFSV-BRWVUGGUSA-N 2 0 362.518 0.870 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023994119 1180730411 /nfs/dbraw/zinc/73/04/11/1180730411.db2.gz YYJATCNJQGGGNR-OWCLPIDISA-N 2 0 363.510 0.922 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000892484349 1181316710 /nfs/dbraw/zinc/31/67/10/1181316710.db2.gz CBJMJLVNFZCPHY-HNNXBMFYSA-N 2 0 366.510 0.117 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892486582 1181328315 /nfs/dbraw/zinc/32/83/15/1181328315.db2.gz QPUXRNKDCDKSNT-TUVASFSCSA-N 2 0 365.478 0.341 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000892524878 1181729518 /nfs/dbraw/zinc/72/95/18/1181729518.db2.gz QTMQBKNXHJAXJV-OAHLLOKOSA-N 2 0 357.462 0.819 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001267572710 1181876526 /nfs/dbraw/zinc/87/65/26/1181876526.db2.gz UMXNYOIDIJZJLL-CEXWTWQISA-N 2 0 366.550 0.829 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598955 1181911535 /nfs/dbraw/zinc/91/15/35/1181911535.db2.gz OZQOFTUQBFQALZ-YYIAUSFCSA-N 2 0 363.506 0.465 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621515 1182291404 /nfs/dbraw/zinc/29/14/04/1182291404.db2.gz FJZLRKCLQVGIML-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001104625399 1182302645 /nfs/dbraw/zinc/30/26/45/1182302645.db2.gz KQVLHBSJHMCLTF-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104682250 1182364308 /nfs/dbraw/zinc/36/43/08/1182364308.db2.gz JDAWNQUPTPNDNE-CRAIPNDOSA-N 2 0 360.502 0.964 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892759143 1182482005 /nfs/dbraw/zinc/48/20/05/1182482005.db2.gz IBXIVPGHSAPCQL-IRXDYDNUSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000892774680 1182499289 /nfs/dbraw/zinc/49/92/89/1182499289.db2.gz UNVLZJHJNFRIOR-IAGOWNOFSA-N 2 0 366.506 0.509 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063293 1182877734 /nfs/dbraw/zinc/87/77/34/1182877734.db2.gz DUNSTGCOIUVHQP-SVMUCYCZSA-N 2 0 370.497 0.642 20 0 FCADRP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001104908029 1182989827 /nfs/dbraw/zinc/98/98/27/1182989827.db2.gz FWSIWSUTUIIIQJ-CRAIPNDOSA-N 2 0 363.506 0.937 20 0 FCADRP Cc1nnc([C@H](C)[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001104908372 1182990527 /nfs/dbraw/zinc/99/05/27/1182990527.db2.gz UQLKAIALOFQFOF-IJEWVQPXSA-N 2 0 366.510 0.827 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916938 1182992236 /nfs/dbraw/zinc/99/22/36/1182992236.db2.gz LMEMPEWHYWCDIK-OAGGEKHMSA-N 2 0 364.490 0.843 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001104924467 1183000941 /nfs/dbraw/zinc/00/09/41/1183000941.db2.gz NUAIDMPFPIUKHO-OAGGEKHMSA-N 2 0 366.506 0.598 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008327 1183066289 /nfs/dbraw/zinc/06/62/89/1183066289.db2.gz YJKNCERTYFYVNZ-ZACQAIPSSA-N 2 0 368.522 0.165 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010634 1183067783 /nfs/dbraw/zinc/06/77/83/1183067783.db2.gz UDRLJIPAJMSHKY-KBAYOESNSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001105014262 1183068872 /nfs/dbraw/zinc/06/88/72/1183068872.db2.gz JLVXJXGUJWJTPB-HUUCEWRRSA-N 2 0 361.494 0.678 20 0 FCADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001105042550 1183089854 /nfs/dbraw/zinc/08/98/54/1183089854.db2.gz WPWASSQIAUTBEQ-INMHGKMJSA-N 2 0 364.494 0.110 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066995 1183100506 /nfs/dbraw/zinc/10/05/06/1183100506.db2.gz IIFGZIFBADICQU-HZPDHXFCSA-N 2 0 365.526 0.998 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)CCn4ccnc4)C[C@H]32)C1 ZINC000974574996 1183343047 /nfs/dbraw/zinc/34/30/47/1183343047.db2.gz APDOTACUWZCFPQ-BRWVUGGUSA-N 2 0 359.474 0.674 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000974576971 1183346420 /nfs/dbraw/zinc/34/64/20/1183346420.db2.gz PDLYSMPVELXBEX-CGTJXYLNSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@@H+]1C ZINC000974593939 1183371658 /nfs/dbraw/zinc/37/16/58/1183371658.db2.gz QTLVDCKNUAGDAQ-XMTFNYHQSA-N 2 0 374.529 0.872 20 0 FCADRP c1cc(NCC[N@@H+]2CCCOCC2)nc(NCC[NH+]2CCCOCC2)n1 ZINC000893382900 1183405731 /nfs/dbraw/zinc/40/57/31/1183405731.db2.gz LSAUIJITTAHFEN-UHFFFAOYSA-N 2 0 364.494 0.745 20 0 FCADRP CC(C)n1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001026916370 1183490224 /nfs/dbraw/zinc/49/02/24/1183490224.db2.gz GOVRLKZIRGZOIO-BZUAXINKSA-N 2 0 364.494 0.516 20 0 FCADRP COc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001026916387 1183490257 /nfs/dbraw/zinc/49/02/57/1183490257.db2.gz HBDJNKADMAFMGM-HLLBOEOZSA-N 2 0 362.474 0.747 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)C1 ZINC000974723679 1183501539 /nfs/dbraw/zinc/50/15/39/1183501539.db2.gz UKPBTVUXZJNIPM-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)Cn3ccnc3C)C[C@@H]21)[NH+](C)C ZINC000975717671 1185633966 /nfs/dbraw/zinc/63/39/66/1185633966.db2.gz NMIRNUXZHDDQHL-BBWFWOEESA-N 2 0 361.490 0.981 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666681 1185934846 /nfs/dbraw/zinc/93/48/46/1185934846.db2.gz IMIVWEBFOINRJZ-YQVWRLOYSA-N 2 0 360.502 0.903 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211667031 1185956324 /nfs/dbraw/zinc/95/63/24/1185956324.db2.gz SAMIPDFWBBTEFZ-ZWKOTPCHSA-N 2 0 358.486 0.658 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000979855288 1186131120 /nfs/dbraw/zinc/13/11/20/1186131120.db2.gz CVFBBVTUTLBKMX-QBPKDAKJSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000979996826 1186160117 /nfs/dbraw/zinc/16/01/17/1186160117.db2.gz SIDQKEODIUOXNK-WRQOLXDDSA-N 2 0 366.506 0.058 20 0 FCADRP CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001481519266 1186221358 /nfs/dbraw/zinc/22/13/58/1186221358.db2.gz ZDXKMPKUBSJJCV-HZPDHXFCSA-N 2 0 361.490 0.830 20 0 FCADRP COc1ccnc(CN2CCC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1 ZINC001027966804 1186242140 /nfs/dbraw/zinc/24/21/40/1186242140.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 0 362.474 0.890 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3ccnc3)C2)O1 ZINC000981638681 1186472191 /nfs/dbraw/zinc/47/21/91/1186472191.db2.gz TUWQTNJWGQWYST-QKPAOTATSA-N 2 0 363.462 0.003 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCCN(C)C2=O)C3)CC[N@@H+]1C ZINC000981776823 1186517277 /nfs/dbraw/zinc/51/72/77/1186517277.db2.gz XNUCLKMBYQPLST-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC000981776609 1186517410 /nfs/dbraw/zinc/51/74/10/1186517410.db2.gz RYDZCVMETOQCOI-HZPDHXFCSA-N 2 0 363.506 0.276 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000982827816 1187741505 /nfs/dbraw/zinc/74/15/05/1187741505.db2.gz NWMNRXOHANJAEX-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549978743 1187973956 /nfs/dbraw/zinc/97/39/56/1187973956.db2.gz GTCJENGIZMUGMI-QGZVFWFLSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001270117945 1188019545 /nfs/dbraw/zinc/01/95/45/1188019545.db2.gz CORBKIWWFQDANM-NVXWUHKLSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332601 1188101346 /nfs/dbraw/zinc/10/13/46/1188101346.db2.gz KMGKVLBJBZNPNV-BEFAXECRSA-N 2 0 364.490 0.258 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc5c[nH+]cn54)CC3)[C@@H]2C1 ZINC001270368002 1188121033 /nfs/dbraw/zinc/12/10/33/1188121033.db2.gz DOCPVJPWFHFMEH-HUUCEWRRSA-N 2 0 353.426 0.617 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095027 1188223240 /nfs/dbraw/zinc/22/32/40/1188223240.db2.gz HXGKMOXMIHZLLU-IRXDYDNUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]([NH2+]Cc1ncnn1C)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111595 1188293893 /nfs/dbraw/zinc/29/38/93/1188293893.db2.gz KXSONAKYFUMZPO-IIAWOOMASA-N 2 0 364.494 0.251 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C(C)C ZINC000550349022 1188341464 /nfs/dbraw/zinc/34/14/64/1188341464.db2.gz SYBJFDZNEOVKKU-UHFFFAOYSA-N 2 0 369.554 0.317 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000550371456 1188343192 /nfs/dbraw/zinc/34/31/92/1188343192.db2.gz AHXZYZHTOMWYSJ-SFHVURJKSA-N 2 0 372.513 0.878 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)N1CC[NH+](C)CC1 ZINC000550381483 1188344245 /nfs/dbraw/zinc/34/42/45/1188344245.db2.gz KJWMLRYOPSHPQR-QGZVFWFLSA-N 2 0 369.554 0.173 20 0 FCADRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001746848445 1188361765 /nfs/dbraw/zinc/36/17/65/1188361765.db2.gz OSFGJLFPKCOBMY-OAGGEKHMSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)c1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)[nH]1 ZINC000984013392 1189372782 /nfs/dbraw/zinc/37/27/82/1189372782.db2.gz IMXQNTJCNPHMSH-KBUPBQIOSA-N 2 0 364.494 0.632 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)C3C[NH+](C4CCOCC4)C3)nc2)CC1 ZINC000895745840 1189879979 /nfs/dbraw/zinc/87/99/79/1189879979.db2.gz GDFDENLKWBBGQN-UHFFFAOYSA-N 2 0 359.474 0.883 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)cc1=O ZINC001087908546 1189894180 /nfs/dbraw/zinc/89/41/80/1189894180.db2.gz FUFOFCRNOGVVQE-SQNIBIBYSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964066 1190010655 /nfs/dbraw/zinc/01/06/55/1190010655.db2.gz UZIKYUJIGDFWRI-SQNIBIBYSA-N 2 0 360.506 0.931 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)NC1CC1 ZINC001087967671 1190025542 /nfs/dbraw/zinc/02/55/42/1190025542.db2.gz GOCZPHHYXWBMKE-SOLBZPMBSA-N 2 0 360.502 0.387 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027953 1190267042 /nfs/dbraw/zinc/26/70/42/1190267042.db2.gz NVSDMSKKELNZSH-BMFZPTHFSA-N 2 0 355.442 0.863 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041653 1190300123 /nfs/dbraw/zinc/30/01/23/1190300123.db2.gz CGFWBUXUNUPLRK-ZBFHGGJFSA-N 2 0 355.442 0.816 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985066997 1190498457 /nfs/dbraw/zinc/49/84/57/1190498457.db2.gz VRQKEYWHTWJGCP-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105962 1190591981 /nfs/dbraw/zinc/59/19/81/1190591981.db2.gz JMINPARZQPWAMN-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106599 1190594098 /nfs/dbraw/zinc/59/40/98/1190594098.db2.gz IYTKYUZAZSJVCQ-ZACQAIPSSA-N 2 0 363.506 0.134 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150695 1190674451 /nfs/dbraw/zinc/67/44/51/1190674451.db2.gz RKNFNANJYOVFMH-KURKYZTESA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)CCC1 ZINC000985825647 1190825131 /nfs/dbraw/zinc/82/51/31/1190825131.db2.gz CSEWQJFQHXBNQO-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830784 1190828551 /nfs/dbraw/zinc/82/85/51/1190828551.db2.gz IKJUHZJVMLZCLQ-RYRKJORJSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)C1CC1 ZINC000986137337 1190904124 /nfs/dbraw/zinc/90/41/24/1190904124.db2.gz PYSSOHILHJCVGP-ZIFCJYIRSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)CC[C@@H]3C2)C1 ZINC000986135790 1190906001 /nfs/dbraw/zinc/90/60/01/1190906001.db2.gz WRORWUMOJDVFKW-IKGGRYGDSA-N 2 0 360.502 0.341 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282524 1190944443 /nfs/dbraw/zinc/94/44/43/1190944443.db2.gz ICKQAWPZSDGIEA-RYRKJORJSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1)[NH+](C)C ZINC000986322525 1190955332 /nfs/dbraw/zinc/95/53/32/1190955332.db2.gz ZYSZJFYAIYZKQO-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)C1 ZINC000986423714 1190986045 /nfs/dbraw/zinc/98/60/45/1190986045.db2.gz YPWOWHNYCNZNBP-XHSDSOJGSA-N 2 0 359.474 0.601 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)CC[N@@H+]1C ZINC000986427791 1190988211 /nfs/dbraw/zinc/98/82/11/1190988211.db2.gz MOHJDVQXWBBTKO-ZJPYXAASSA-N 2 0 374.529 0.729 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1 ZINC000986429626 1190988382 /nfs/dbraw/zinc/98/83/82/1190988382.db2.gz XRNMIJDZCKZLEZ-IKGGRYGDSA-N 2 0 360.502 0.341 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088572116 1191207827 /nfs/dbraw/zinc/20/78/27/1191207827.db2.gz YEURYSLRUTZCAN-OLMNPRSZSA-N 2 0 358.486 0.806 20 0 FCADRP COC(=O)[C@H](Cc1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001218387672 1224157715 /nfs/dbraw/zinc/15/77/15/1224157715.db2.gz QATLOMYLIAHOGV-ZFVVBOAOSA-N 2 0 363.458 0.609 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@H]2C[NH2+][C@H]2C)cc1)C(N)=O ZINC001218385420 1224157751 /nfs/dbraw/zinc/15/77/51/1224157751.db2.gz IDQZCYWKNXJWHA-STECZYCISA-N 2 0 362.474 0.312 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582234 1193734031 /nfs/dbraw/zinc/73/40/31/1193734031.db2.gz WQJIJGOHDPJXIO-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582212 1193734067 /nfs/dbraw/zinc/73/40/67/1193734067.db2.gz VSMKPLAWWHFQFE-IKGGRYGDSA-N 2 0 360.506 0.888 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2ccc3c(n2)OCCO3)C1=O ZINC001276788440 1224164840 /nfs/dbraw/zinc/16/48/40/1224164840.db2.gz LUDOXIJOJDJFPM-IBGZPJMESA-N 2 0 360.458 0.981 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)C1 ZINC001218510227 1224165535 /nfs/dbraw/zinc/16/55/35/1224165535.db2.gz PDLDETRBHKXHDJ-FGTMMUONSA-N 2 0 369.506 0.029 20 0 FCADRP COc1ncccc1CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465496 1193765069 /nfs/dbraw/zinc/76/50/69/1193765069.db2.gz HBHLHIMNCBIMJM-BBWFWOEESA-N 2 0 360.458 0.093 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000152365445 1193773302 /nfs/dbraw/zinc/77/33/02/1193773302.db2.gz OEDDUGUCHSCNSR-KSZLIROESA-N 2 0 369.554 0.763 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cnc(C)n4C3)[C@H]2C1 ZINC001218535632 1224168410 /nfs/dbraw/zinc/16/84/10/1224168410.db2.gz CROGCOCAGAMHHK-RYQLBKOJSA-N 2 0 362.474 0.702 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088702131 1193800152 /nfs/dbraw/zinc/80/01/52/1193800152.db2.gz FAFCGQWMJBQYPX-IKGGRYGDSA-N 2 0 361.490 0.451 20 0 FCADRP C[C@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000550986094 1193824721 /nfs/dbraw/zinc/82/47/21/1193824721.db2.gz MYRIUOQFXPMHOT-GOEBONIOSA-N 2 0 364.490 0.971 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551139969 1193836640 /nfs/dbraw/zinc/83/66/40/1193836640.db2.gz OBKHIGKWMCJVJM-IRXDYDNUSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105658375 1193861717 /nfs/dbraw/zinc/86/17/17/1193861717.db2.gz GMLVCUAGJHPVSM-XSYGEPLQSA-N 2 0 367.534 0.677 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105666399 1193890901 /nfs/dbraw/zinc/89/09/01/1193890901.db2.gz FFGRNAAORMOULG-WOCWXWTJSA-N 2 0 365.518 0.695 20 0 FCADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218597474 1224180277 /nfs/dbraw/zinc/18/02/77/1224180277.db2.gz WIQRVJSFURHHCY-LLVKDONJSA-N 2 0 364.402 0.401 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105669271 1193967072 /nfs/dbraw/zinc/96/70/72/1193967072.db2.gz QOCKYGFJOGOBLT-VVWQDTPRSA-N 2 0 368.522 0.170 20 0 FCADRP Nc1cn(C(=O)C2CCC(C[NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621551 1224183475 /nfs/dbraw/zinc/18/34/75/1224183475.db2.gz WUGDVHHHKCDISH-UHFFFAOYSA-N 2 0 361.490 0.709 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nonc1-c1nc2ccccc2[nH]1 ZINC001218627558 1224185983 /nfs/dbraw/zinc/18/59/83/1224185983.db2.gz WVPOODANJFNTCL-NSHDSACASA-N 2 0 370.417 0.302 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553599862 1194009395 /nfs/dbraw/zinc/00/93/95/1194009395.db2.gz LSLHDDZOVHZCFP-OAHLLOKOSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1C[NH3+] ZINC000842147406 1194057193 /nfs/dbraw/zinc/05/71/93/1194057193.db2.gz BXRYOZKENOUSQY-HYVNUMGLSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1C[NH3+] ZINC000842147407 1194057646 /nfs/dbraw/zinc/05/76/46/1194057646.db2.gz BXRYOZKENOUSQY-OIISXLGYSA-N 2 0 366.506 0.332 20 0 FCADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000842175593 1194081699 /nfs/dbraw/zinc/08/16/99/1194081699.db2.gz UBKBCUXBZDQOTC-KRWDZBQOSA-N 2 0 362.474 0.109 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188617 1194084917 /nfs/dbraw/zinc/08/49/17/1194084917.db2.gz IZPAQJVZCVOPMF-YLJYHZDGSA-N 2 0 374.485 0.119 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000842191480 1194086103 /nfs/dbraw/zinc/08/61/03/1194086103.db2.gz YDKZWHMXYQKBMD-FXAWDEMLSA-N 2 0 358.486 0.835 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899205454 1194120244 /nfs/dbraw/zinc/12/02/44/1194120244.db2.gz OITSRKQHXGVFGD-MRXNPFEDSA-N 2 0 364.490 0.040 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083524120 1194155756 /nfs/dbraw/zinc/15/57/56/1194155756.db2.gz ILSRFASXLRWLCW-KURKYZTESA-N 2 0 363.506 0.387 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218695631 1224197923 /nfs/dbraw/zinc/19/79/23/1224197923.db2.gz FGKZMVHWCBIMFQ-INIZCTEOSA-N 2 0 362.478 0.383 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218711729 1224202005 /nfs/dbraw/zinc/20/20/05/1224202005.db2.gz SWBQMQDOXOJASA-NWDGAFQWSA-N 2 0 373.417 0.365 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076047024 1194273633 /nfs/dbraw/zinc/27/36/33/1194273633.db2.gz YNJCFWIUIAGABA-APHBMKBZSA-N 2 0 367.409 0.286 20 0 FCADRP COc1ccccc1-n1nccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218728294 1224205868 /nfs/dbraw/zinc/20/58/68/1224205868.db2.gz MRGKBEGIBMIEQW-CQSZACIVSA-N 2 0 358.446 0.570 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001076206586 1194353350 /nfs/dbraw/zinc/35/33/50/1194353350.db2.gz WWTADODIWJPBQQ-BPQIPLTHSA-N 2 0 362.518 0.777 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168366570 1194391163 /nfs/dbraw/zinc/39/11/63/1194391163.db2.gz WUJNODDPRXWCLR-UHFFFAOYSA-N 3 0 373.538 0.476 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076324781 1194393546 /nfs/dbraw/zinc/39/35/46/1194393546.db2.gz ZVZUTDYBLBJSMP-HRCADAONSA-N 2 0 362.474 0.056 20 0 FCADRP CCOC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794926 1224213936 /nfs/dbraw/zinc/21/39/36/1224213936.db2.gz UWNFYTYHGIHHCZ-KHYOSLBOSA-N 2 0 369.506 0.611 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462142 1194505911 /nfs/dbraw/zinc/50/59/11/1194505911.db2.gz JEXQSCGOYNVUOI-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001218880169 1224245305 /nfs/dbraw/zinc/24/53/05/1224245305.db2.gz SKWKCJDGOUBQLM-RRQGHBQHSA-N 2 0 358.442 0.438 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H](O)COC(C)(C)C)C2 ZINC001276798471 1224251685 /nfs/dbraw/zinc/25/16/85/1224251685.db2.gz DKCHPUHECYLLIL-APWZRJJASA-N 2 0 371.522 0.275 20 0 FCADRP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001076812621 1195033906 /nfs/dbraw/zinc/03/39/06/1195033906.db2.gz NRPSJZBIDDXEOJ-KZNAEPCWSA-N 2 0 361.486 0.883 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919644 1224259440 /nfs/dbraw/zinc/25/94/40/1224259440.db2.gz WUMFWEGHRRYASW-OWCLPIDISA-N 2 0 362.478 0.019 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]2O)CC[N@@H+]1C ZINC001077024718 1195156158 /nfs/dbraw/zinc/15/61/58/1195156158.db2.gz MLYXCFKQSGBTHY-UTRMSSBJSA-N 2 0 373.497 0.666 20 0 FCADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218935329 1224265844 /nfs/dbraw/zinc/26/58/44/1224265844.db2.gz CYYGODIRRSDGQA-INIZCTEOSA-N 2 0 367.457 0.251 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001077133004 1195248541 /nfs/dbraw/zinc/24/85/41/1195248541.db2.gz FAMNMCIHOOFAJY-GUDVDZBRSA-N 2 0 365.518 0.981 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077218919 1195327508 /nfs/dbraw/zinc/32/75/08/1195327508.db2.gz APTHYUBWHPFOIH-BRWVUGGUSA-N 2 0 365.518 0.839 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218988 1195327662 /nfs/dbraw/zinc/32/76/62/1195327662.db2.gz DUBDMGGGVRYLEO-KZNAEPCWSA-N 2 0 365.518 0.840 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CC1 ZINC001218965314 1224274004 /nfs/dbraw/zinc/27/40/04/1224274004.db2.gz JQEWXLFZQXYWAK-OKZBNKHCSA-N 2 0 363.502 0.809 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC001218970893 1224275561 /nfs/dbraw/zinc/27/55/61/1224275561.db2.gz NNKIRSQKDVZVHG-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418118 1195518030 /nfs/dbraw/zinc/51/80/30/1195518030.db2.gz JMCCFIMTVRTZBB-MOXMWUHRSA-N 2 0 363.502 0.591 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C[C@@]1(O)CCOC1 ZINC000905113625 1195575159 /nfs/dbraw/zinc/57/51/59/1195575159.db2.gz IJSSIBCWNNVCLI-UXHICEINSA-N 2 0 364.486 0.635 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905154454 1195576238 /nfs/dbraw/zinc/57/62/38/1195576238.db2.gz PPBOJLDKRQWQMD-QFBILLFUSA-N 2 0 371.522 0.105 20 0 FCADRP Cc1nocc1CN1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591335 1195588877 /nfs/dbraw/zinc/58/88/77/1195588877.db2.gz YAZGOYHMAKJRCA-SJORKVTESA-N 2 0 355.398 0.914 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591767 1195592751 /nfs/dbraw/zinc/59/27/51/1195592751.db2.gz VWAXTQPCEKLWOT-NXHRZFHOSA-N 2 0 358.442 0.987 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001083593913 1195606277 /nfs/dbraw/zinc/60/62/77/1195606277.db2.gz DKSHIDLTNKPAKI-SQNIBIBYSA-N 2 0 363.506 0.244 20 0 FCADRP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906665285 1195643894 /nfs/dbraw/zinc/64/38/94/1195643894.db2.gz VGQTXXFBTZOFGZ-KRWDZBQOSA-N 3 0 373.501 0.711 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)NCC2([NH3+])CC2)cc1)C1CC[NH+](C)CC1 ZINC000906696680 1195650470 /nfs/dbraw/zinc/65/04/70/1195650470.db2.gz GCGSPMXFOPXBAN-UHFFFAOYSA-N 2 0 359.474 0.763 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCCC1 ZINC001083602519 1195667239 /nfs/dbraw/zinc/66/72/39/1195667239.db2.gz ZQLYISAQRLEBLW-FGTMMUONSA-N 2 0 365.518 0.981 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907555878 1195700585 /nfs/dbraw/zinc/70/05/85/1195700585.db2.gz ZEUMTJWDYJGXQT-YZGWKJHDSA-N 2 0 361.486 0.537 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907553905 1195700895 /nfs/dbraw/zinc/70/08/95/1195700895.db2.gz LCNWXDDHRJFBED-OAQYLSRUSA-N 2 0 374.529 0.575 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757223 1195709351 /nfs/dbraw/zinc/70/93/51/1195709351.db2.gz UWNDNFPEDXRMPO-DLBZAZTESA-N 2 0 369.506 0.879 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908204670 1195733041 /nfs/dbraw/zinc/73/30/41/1195733041.db2.gz SJKVAGLGLBXCOS-QGZVFWFLSA-N 2 0 361.490 0.167 20 0 FCADRP O=C1[C@@H]2C[C@H](F)CN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348377076 1195778793 /nfs/dbraw/zinc/77/87/93/1195778793.db2.gz DBLNDMXJMMIRIX-HOCLYGCPSA-N 2 0 361.421 0.968 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842435 1195849050 /nfs/dbraw/zinc/84/90/50/1195849050.db2.gz BRAXAQZVIMPNEM-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC000910844177 1195849365 /nfs/dbraw/zinc/84/93/65/1195849365.db2.gz YQKKIXKZVBIQSB-MRXNPFEDSA-N 2 0 359.474 0.719 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1 ZINC000910843841 1195849399 /nfs/dbraw/zinc/84/93/99/1195849399.db2.gz QOOKGEYWDPFNMA-UHFFFAOYSA-N 2 0 373.501 0.967 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000910977625 1195872805 /nfs/dbraw/zinc/87/28/05/1195872805.db2.gz VPFKBXNLKORQEH-MAUKXSAKSA-N 2 0 374.485 0.067 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000911016086 1195878520 /nfs/dbraw/zinc/87/85/20/1195878520.db2.gz SYRHQOINWPENKC-OIISXLGYSA-N 2 0 366.506 0.068 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000911058450 1195884426 /nfs/dbraw/zinc/88/44/26/1195884426.db2.gz XNQQPGSNTUJERE-UHFFFAOYSA-N 2 0 374.485 0.427 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000911099428 1195888732 /nfs/dbraw/zinc/88/87/32/1195888732.db2.gz DQZLAZXBPCLTAB-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911099957 1195888999 /nfs/dbraw/zinc/88/89/99/1195888999.db2.gz OEVWKHRAWWZDMB-IAGOWNOFSA-N 2 0 366.506 0.394 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911099956 1195889162 /nfs/dbraw/zinc/88/91/62/1195889162.db2.gz OEVWKHRAWWZDMB-DLBZAZTESA-N 2 0 366.506 0.394 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000911149156 1195898925 /nfs/dbraw/zinc/89/89/25/1195898925.db2.gz UTLSYIXBAASHTC-KBAYOESNSA-N 2 0 360.502 0.861 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000911163371 1195901117 /nfs/dbraw/zinc/90/11/17/1195901117.db2.gz XDKJFDKSGPTLLN-MRXNPFEDSA-N 2 0 358.486 0.748 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000911187113 1195904271 /nfs/dbraw/zinc/90/42/71/1195904271.db2.gz MGZOHVDYYAPKFD-ZWKOTPCHSA-N 2 0 358.486 0.822 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000911227513 1195924012 /nfs/dbraw/zinc/92/40/12/1195924012.db2.gz FCBSQDGDIWEDIU-MRXNPFEDSA-N 2 0 359.474 0.612 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000911231210 1195924631 /nfs/dbraw/zinc/92/46/31/1195924631.db2.gz YEBKXBOZCFRIIW-MRXNPFEDSA-N 2 0 366.506 0.396 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)cc1 ZINC000911358567 1195941334 /nfs/dbraw/zinc/94/13/34/1195941334.db2.gz OXBBQQWVTKTSAH-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cnnn2C)CC3)O1 ZINC000991363823 1196323883 /nfs/dbraw/zinc/32/38/83/1196323883.db2.gz ZDPRCPPUHNPJJZ-GFOCRRMGSA-N 2 0 362.478 0.147 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)CC1=O ZINC000155987149 1196325690 /nfs/dbraw/zinc/32/56/90/1196325690.db2.gz IAGMZCFLSQTMOH-MRXNPFEDSA-N 2 0 355.442 0.899 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654277 1196346799 /nfs/dbraw/zinc/34/67/99/1196346799.db2.gz GHNFMFDJAGGLPW-DXWXDBEXSA-N 2 0 371.481 0.254 20 0 FCADRP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219092360 1224350559 /nfs/dbraw/zinc/35/05/59/1224350559.db2.gz GMQJTRSKPIQAJD-HNNXBMFYSA-N 2 0 360.393 0.843 20 0 FCADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ncn1 ZINC000594702752 1196733949 /nfs/dbraw/zinc/73/39/49/1196733949.db2.gz WQFAJYMUCIFDLD-XSWJXKHESA-N 2 0 374.489 0.840 20 0 FCADRP [NH3+]CCNC(=O)/C=C/C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219131198 1224363903 /nfs/dbraw/zinc/36/39/03/1224363903.db2.gz XSFJCIPSUKSKNZ-ONEGZZNKSA-N 2 0 364.421 0.774 20 0 FCADRP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC000991725194 1196748925 /nfs/dbraw/zinc/74/89/25/1196748925.db2.gz YHQOFROACSFUIC-QRQLOZEOSA-N 2 0 370.497 0.611 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001105945343 1196750481 /nfs/dbraw/zinc/75/04/81/1196750481.db2.gz UDEHWFHHAGZLNM-KFWWJZLASA-N 2 0 360.462 0.193 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897291 1196830573 /nfs/dbraw/zinc/83/05/73/1196830573.db2.gz CESYLRDEZMWGLG-IKGGRYGDSA-N 2 0 365.522 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000992244780 1197030919 /nfs/dbraw/zinc/03/09/19/1197030919.db2.gz OLJOAYCCRWREBY-RDHHWEPZSA-N 2 0 362.518 0.966 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236488 1224396884 /nfs/dbraw/zinc/39/68/84/1224396884.db2.gz VGASJMFBWHAIIG-CRAIPNDOSA-N 3 0 360.506 0.303 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106142864 1197294178 /nfs/dbraw/zinc/29/41/78/1197294178.db2.gz ABKLDMBOQUMDFH-OLMNPRSZSA-N 2 0 362.518 0.539 20 0 FCADRP C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145544 1197307486 /nfs/dbraw/zinc/30/74/86/1197307486.db2.gz AKMUJFSAXNPISZ-IXDOHACOSA-N 2 0 365.522 0.903 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)CC[N@@H+]1C ZINC001106149834 1197309386 /nfs/dbraw/zinc/30/93/86/1197309386.db2.gz VHDGDDHBCOSYKL-KBUPBQIOSA-N 2 0 363.462 0.637 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219287747 1224415159 /nfs/dbraw/zinc/41/51/59/1224415159.db2.gz BDRYBICFUYUQML-ZDUSSCGKSA-N 2 0 366.441 0.468 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219300979 1224419761 /nfs/dbraw/zinc/41/97/61/1224419761.db2.gz CTUDRXVCDAVZBQ-CYBMUJFWSA-N 2 0 367.425 0.671 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1)[NH+](C)C ZINC000992838865 1197544095 /nfs/dbraw/zinc/54/40/95/1197544095.db2.gz BAWMPORHUQQHMP-QMTMVMCOSA-N 2 0 361.490 0.989 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@H]2CN(C(=O)CCn3ccnc3)C[C@@]2(C)C1 ZINC000992946815 1197626785 /nfs/dbraw/zinc/62/67/85/1197626785.db2.gz SRBWAFBEMSTMRP-APWZRJJASA-N 2 0 370.457 0.785 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000992947610 1197626858 /nfs/dbraw/zinc/62/68/58/1197626858.db2.gz LPXYEYGFPINGFH-QFBILLFUSA-N 2 0 360.502 0.485 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001085232174 1197720823 /nfs/dbraw/zinc/72/08/23/1197720823.db2.gz OUVZCWXTJABAHB-KBUPBQIOSA-N 2 0 373.457 0.679 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276226 1197743017 /nfs/dbraw/zinc/74/30/17/1197743017.db2.gz WWAKLSDKFOFKQY-FUHWJXTLSA-N 2 0 367.538 0.565 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249261 1197782417 /nfs/dbraw/zinc/78/24/17/1197782417.db2.gz DVDFNTVVILWIHL-ZTFGCOKTSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001085310603 1197810721 /nfs/dbraw/zinc/81/07/21/1197810721.db2.gz GQBDCFMAAOGKPH-MWDXBVQZSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001085309169 1197811138 /nfs/dbraw/zinc/81/11/38/1197811138.db2.gz BIDGBXAJPUCQNB-BYNSBNAKSA-N 2 0 364.494 0.356 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106272099 1197811940 /nfs/dbraw/zinc/81/19/40/1197811940.db2.gz ROMVFNITHLZSLC-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001085319549 1197816206 /nfs/dbraw/zinc/81/62/06/1197816206.db2.gz BWRRYWXQRFMZCJ-IAGOWNOFSA-N 2 0 366.506 0.204 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001085333569 1197827005 /nfs/dbraw/zinc/82/70/05/1197827005.db2.gz XFLOYIFKLQHZCV-RBSFLKMASA-N 2 0 364.490 0.541 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316240 1197863178 /nfs/dbraw/zinc/86/31/78/1197863178.db2.gz LGMHYHCVYYIHTL-BZUAXINKSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106322136 1197865411 /nfs/dbraw/zinc/86/54/11/1197865411.db2.gz KSZROAFUMAYMRX-ZACQAIPSSA-N 2 0 366.506 0.014 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106347159 1197871098 /nfs/dbraw/zinc/87/10/98/1197871098.db2.gz NJGUQRVUGKJXJA-OWCLPIDISA-N 2 0 361.490 0.727 20 0 FCADRP Cc1nc2c([nH]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106343249 1197871949 /nfs/dbraw/zinc/87/19/49/1197871949.db2.gz WCMRLBGKEIPKJP-BPLDGKMQSA-N 2 0 361.490 0.595 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106346552 1197873488 /nfs/dbraw/zinc/87/34/88/1197873488.db2.gz HOPBZKJNRFXLTK-HZPDHXFCSA-N 2 0 361.490 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001106346430 1197873771 /nfs/dbraw/zinc/87/37/71/1197873771.db2.gz DGBKFVNXGPRISP-HZPDHXFCSA-N 2 0 371.489 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]CCOCCO ZINC001106346544 1197873787 /nfs/dbraw/zinc/87/37/87/1197873787.db2.gz HDMVRBWHNOWZGP-IAGOWNOFSA-N 2 0 364.490 0.601 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993155312 1197894863 /nfs/dbraw/zinc/89/48/63/1197894863.db2.gz JNVYJBJMLHVIMJ-GJYPPUQNSA-N 2 0 360.502 0.483 20 0 FCADRP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453508 1197933136 /nfs/dbraw/zinc/93/31/36/1197933136.db2.gz LWVICUKNWUPFEH-QUJXQBBWSA-N 2 0 365.518 0.959 20 0 FCADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000915062467 1197934021 /nfs/dbraw/zinc/93/40/21/1197934021.db2.gz IGYNLCAVAGOUER-SFHVURJKSA-N 2 0 366.506 0.166 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716149 1197945952 /nfs/dbraw/zinc/94/59/52/1197945952.db2.gz KIQXYZOUGXPBND-UYAOXDASSA-N 2 0 374.529 0.479 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001106591599 1198026512 /nfs/dbraw/zinc/02/65/12/1198026512.db2.gz GEAIKCLNKNHYEC-ZIAGYGMSSA-N 2 0 361.494 0.534 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273386214 1198087295 /nfs/dbraw/zinc/08/72/95/1198087295.db2.gz ZMDXKXJDWWXZOB-KXBFYZLASA-N 2 0 364.490 0.398 20 0 FCADRP C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090851 1198157504 /nfs/dbraw/zinc/15/75/04/1198157504.db2.gz UPNVXZHRKINESW-AQDIXCGQSA-N 2 0 361.494 0.894 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)CC1 ZINC001273405957 1198232027 /nfs/dbraw/zinc/23/20/27/1198232027.db2.gz XOBDPIKAALLIAE-IAGOWNOFSA-N 2 0 362.518 0.776 20 0 FCADRP CCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001086202214 1198251621 /nfs/dbraw/zinc/25/16/21/1198251621.db2.gz NDRMYSXFKIKUJH-LXTVHRRPSA-N 2 0 357.462 0.820 20 0 FCADRP CCn1nnc(-c2ccccc2NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219483327 1224483007 /nfs/dbraw/zinc/48/30/07/1224483007.db2.gz UOYBTUPIRLGZJL-CQSZACIVSA-N 2 0 358.450 0.049 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@]13CC[NH2+]C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500833 1224488913 /nfs/dbraw/zinc/48/89/13/1224488913.db2.gz JEMDBCARRMKNTN-GESALYCCSA-N 2 0 356.426 0.817 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)COC1(C)C ZINC001219539792 1224502404 /nfs/dbraw/zinc/50/24/04/1224502404.db2.gz AUHRWNKFZNOESO-UHXUCMFUSA-N 2 0 374.441 0.384 20 0 FCADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219542480 1224504304 /nfs/dbraw/zinc/50/43/04/1224504304.db2.gz SFEQPAWLQXVYLK-LRDDRELGSA-N 2 0 366.425 0.586 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@H](C)C1 ZINC000745794296 1198945525 /nfs/dbraw/zinc/94/55/25/1198945525.db2.gz YORLYWIAYYPZJO-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001219587039 1224518493 /nfs/dbraw/zinc/51/84/93/1224518493.db2.gz OKIKGUUPOWMJPV-OWLYRPNTSA-N 2 0 358.486 0.804 20 0 FCADRP C[NH+]1CCN(c2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)nc2)CC1 ZINC001168884093 1199039739 /nfs/dbraw/zinc/03/97/39/1199039739.db2.gz RKGOQFNQPATEKO-UHFFFAOYSA-N 2 0 350.430 0.935 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001169131617 1199047893 /nfs/dbraw/zinc/04/78/93/1199047893.db2.gz WLPHYIQZGQLRQW-PIIMJCKOSA-N 2 0 364.534 0.867 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001169131616 1199048708 /nfs/dbraw/zinc/04/87/08/1199048708.db2.gz WLPHYIQZGQLRQW-BCDXTJNWSA-N 2 0 364.534 0.867 20 0 FCADRP Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169115612 1199049807 /nfs/dbraw/zinc/04/98/07/1199049807.db2.gz LPBBUWXPSWXHFR-RWHKXBQASA-N 2 0 364.446 0.121 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1nncc1C[NH3+] ZINC001169308895 1199060557 /nfs/dbraw/zinc/06/05/57/1199060557.db2.gz UXGOCHPRRQGRTF-LBPRGKRZSA-N 2 0 362.434 0.227 20 0 FCADRP CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1 ZINC001169547820 1199072604 /nfs/dbraw/zinc/07/26/04/1199072604.db2.gz WNINLLCKUUZRTJ-VAMGGRTRSA-N 2 0 364.534 0.868 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001129348040 1199097360 /nfs/dbraw/zinc/09/73/60/1199097360.db2.gz JDHMENVCPPXNQY-SJORKVTESA-N 2 0 362.478 0.140 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129369950 1199127632 /nfs/dbraw/zinc/12/76/32/1199127632.db2.gz KTLWEWJVVUNDIT-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc(=O)oc2c1 ZINC001219636384 1224539805 /nfs/dbraw/zinc/53/98/05/1224539805.db2.gz ZRUMWUWFWRXYIA-HUBLWGQQSA-N 2 0 363.389 0.488 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001219648909 1224544864 /nfs/dbraw/zinc/54/48/64/1224544864.db2.gz CDGJYWDMKOLLPY-NQYYFHDYSA-N 2 0 372.513 0.828 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651869 1224545710 /nfs/dbraw/zinc/54/57/10/1224545710.db2.gz YQELTIFNQLQSCW-VGWMRTNUSA-N 2 0 368.522 0.482 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001219656001 1224546207 /nfs/dbraw/zinc/54/62/07/1224546207.db2.gz GKFRYKDUERCWMX-OWYHZJEWSA-N 2 0 361.486 0.957 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001219666418 1224550530 /nfs/dbraw/zinc/55/05/30/1224550530.db2.gz IMVRTDFDOQCLII-ZENOOKHLSA-N 2 0 358.446 0.366 20 0 FCADRP C[C@@H](O)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723404 1224576496 /nfs/dbraw/zinc/57/64/96/1224576496.db2.gz LUYUUFFUBBBRGH-NXHRZFHOSA-N 3 0 360.502 0.313 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001219725754 1224578604 /nfs/dbraw/zinc/57/86/04/1224578604.db2.gz GIUXGBCNEBKSBT-RTBURBONSA-N 3 0 371.529 0.166 20 0 FCADRP NC1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH+](Cc2ccccc2)CC1 ZINC001219736361 1224584246 /nfs/dbraw/zinc/58/42/46/1224584246.db2.gz BSXKWOKAWAATIK-QGZVFWFLSA-N 2 0 358.486 0.475 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219737372 1224585518 /nfs/dbraw/zinc/58/55/18/1224585518.db2.gz UONYKXSGWCJGCO-YOEHRIQHSA-N 2 0 357.454 0.831 20 0 FCADRP [NH3+][C@H](CC(=O)NCc1nnc2n1CCC[NH2+]C2)Cc1c[nH]c2ccccc12 ZINC001219749872 1224595099 /nfs/dbraw/zinc/59/50/99/1224595099.db2.gz SASBFMZICJDPHT-AWEZNQCLSA-N 2 0 367.457 0.829 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/C(=O)NCC[NH3+])CC21CC[NH2+]CC1 ZINC001219753372 1224595801 /nfs/dbraw/zinc/59/58/01/1224595801.db2.gz GTIXXVJCIDWRAD-BDUNBXCCSA-N 2 0 356.470 0.808 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001109419484 1200258056 /nfs/dbraw/zinc/25/80/56/1200258056.db2.gz RUMNGCUUCIVIDC-YVSFHVDLSA-N 2 0 363.506 0.608 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764206 1224601622 /nfs/dbraw/zinc/60/16/22/1224601622.db2.gz AODKSSIDTHDVSW-FGTMMUONSA-N 2 0 359.518 0.292 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512728 1200353277 /nfs/dbraw/zinc/35/32/77/1200353277.db2.gz WSHODMRXZLFZOT-LMSBXDPUSA-N 2 0 371.441 0.610 20 0 FCADRP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538881 1200371325 /nfs/dbraw/zinc/37/13/25/1200371325.db2.gz XPDOFFXUHTWYSH-IBTBTWTJSA-N 2 0 363.502 0.998 20 0 FCADRP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219798521 1224618146 /nfs/dbraw/zinc/61/81/46/1224618146.db2.gz VQNVZMCBJJYACT-KRWDZBQOSA-N 2 0 373.501 0.769 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)NCC[C@H]2CCOC23C[NH2+]C3)c2ccccc21 ZINC001219800390 1224619277 /nfs/dbraw/zinc/61/92/77/1224619277.db2.gz IYZNRZSFZFWWCS-RDJZCZTQSA-N 2 0 356.470 0.933 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219801452 1224621288 /nfs/dbraw/zinc/62/12/88/1224621288.db2.gz ZVEDGMZRAFYHKE-KRWDZBQOSA-N 2 0 358.486 0.879 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001110016334 1200705700 /nfs/dbraw/zinc/70/57/00/1200705700.db2.gz JBCDFZRRXJOWCZ-NCOADZHNSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809862 1224628596 /nfs/dbraw/zinc/62/85/96/1224628596.db2.gz TZMKJOSVXFEKAX-QGZVFWFLSA-N 2 0 357.458 0.832 20 0 FCADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219815316 1224631226 /nfs/dbraw/zinc/63/12/26/1224631226.db2.gz XEIMLYDOAQPVTC-OAGGEKHMSA-N 2 0 367.457 0.144 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)N2CCC[NH2+]CC2)cc1 ZINC001219814461 1224632280 /nfs/dbraw/zinc/63/22/80/1224632280.db2.gz FFPRUJRSXBYZSF-ZVDOUQERSA-N 2 0 372.513 0.684 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787113538 1200863572 /nfs/dbraw/zinc/86/35/72/1200863572.db2.gz GSRIWWRVNXEMTL-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000787123502 1200869388 /nfs/dbraw/zinc/86/93/88/1200869388.db2.gz LJPKQGZJJPXWOH-YOEHRIQHSA-N 2 0 366.506 0.345 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831665 1224644263 /nfs/dbraw/zinc/64/42/63/1224644263.db2.gz STRQIGDHGGJPHB-VQHPVUNQSA-N 2 0 361.442 0.330 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001219834145 1224644774 /nfs/dbraw/zinc/64/47/74/1224644774.db2.gz OLFGMFLKAHFDFG-BOFXEDATSA-N 2 0 373.497 0.891 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579116 1201023539 /nfs/dbraw/zinc/02/35/39/1201023539.db2.gz NATMDSFDNAMUOC-OTWHNJEPSA-N 2 0 368.485 0.957 20 0 FCADRP O=C1O[C@@]2(CN1CN1CC[C@H](C[NH+]3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368677 1201075824 /nfs/dbraw/zinc/07/58/24/1201075824.db2.gz OGWZXLAJIFPTGM-VQIMIIECSA-N 2 0 364.490 0.515 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219852500 1224655065 /nfs/dbraw/zinc/65/50/65/1224655065.db2.gz SZTGJXNMLCYHCZ-FQUGODAKSA-N 2 0 370.497 0.453 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001219848694 1224652992 /nfs/dbraw/zinc/65/29/92/1224652992.db2.gz RGYLEDSARBMKNH-SQNIBIBYSA-N 2 0 367.465 0.952 20 0 FCADRP NC1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC001219852612 1224655413 /nfs/dbraw/zinc/65/54/13/1224655413.db2.gz VYUGDSUCTQWTDL-GBESFXJTSA-N 2 0 372.513 0.721 20 0 FCADRP COc1ccccc1C1(CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC[NH2+]CC1 ZINC001219856397 1224656184 /nfs/dbraw/zinc/65/61/84/1224656184.db2.gz LGXLIJSKDQKOMA-UWWQBHOKSA-N 2 0 359.470 0.810 20 0 FCADRP C/C=C(\NC=[NH2+])N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389953 1201208511 /nfs/dbraw/zinc/20/85/11/1201208511.db2.gz SLKYPJSSSMPPJS-OXYCPHIZSA-N 3 0 371.526 0.813 20 0 FCADRP Cn1c[nH+]cc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392986 1201209249 /nfs/dbraw/zinc/20/92/49/1201209249.db2.gz JAULBTBDFSTCDI-WAXYHTEFSA-N 3 0 369.510 0.694 20 0 FCADRP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001114296290 1201290634 /nfs/dbraw/zinc/29/06/34/1201290634.db2.gz LSPIKYHWHOTMNR-GFEQUFNTSA-N 2 0 365.518 0.816 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129484784 1201331869 /nfs/dbraw/zinc/33/18/69/1201331869.db2.gz HMJQKJCSBKCTKX-SJORKVTESA-N 2 0 364.494 0.268 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684753 1201370280 /nfs/dbraw/zinc/37/02/80/1201370280.db2.gz JUEGAFRGALOKFA-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130005904 1201475539 /nfs/dbraw/zinc/47/55/39/1201475539.db2.gz KXYZYTBIWWRHQQ-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130047687 1201486491 /nfs/dbraw/zinc/48/64/91/1201486491.db2.gz NZHRIIGCQIMLLG-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001130067093 1201490666 /nfs/dbraw/zinc/49/06/66/1201490666.db2.gz TVMRSPFFDZHHTP-SJORKVTESA-N 2 0 364.494 0.122 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130074641 1201494668 /nfs/dbraw/zinc/49/46/68/1201494668.db2.gz CORSZTXALDQFRX-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130075353 1201494869 /nfs/dbraw/zinc/49/48/69/1201494869.db2.gz UAQRLMFBYYOAIL-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1)OC ZINC001130091320 1201498110 /nfs/dbraw/zinc/49/81/10/1201498110.db2.gz LSFIXMIUSWAPHM-OAGGEKHMSA-N 2 0 362.478 0.140 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130094422 1201498597 /nfs/dbraw/zinc/49/85/97/1201498597.db2.gz KJIIGAVHHKNXRI-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123180 1201511289 /nfs/dbraw/zinc/51/12/89/1201511289.db2.gz KELOCBNZHAPROB-UAGQMJEPSA-N 2 0 362.478 0.140 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123112 1201511650 /nfs/dbraw/zinc/51/16/50/1201511650.db2.gz GXMMRNCBHIKYJB-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130132716 1201512710 /nfs/dbraw/zinc/51/27/10/1201512710.db2.gz MAWKPEHYOXLTGG-BBWFWOEESA-N 2 0 364.494 0.267 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130221094 1201550535 /nfs/dbraw/zinc/55/05/35/1201550535.db2.gz UFWDYZCRMVRJEM-STQMWFEESA-N 2 0 370.473 0.583 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130247149 1201567825 /nfs/dbraw/zinc/56/78/25/1201567825.db2.gz WKXORSVNLDDCLY-RDBSUJKOSA-N 2 0 368.457 0.194 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130251448 1201570415 /nfs/dbraw/zinc/57/04/15/1201570415.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251327 1201570485 /nfs/dbraw/zinc/57/04/85/1201570485.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 2 0 366.510 0.879 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130304870 1201581030 /nfs/dbraw/zinc/58/10/30/1201581030.db2.gz DKCRUJLIDIOAOP-GMBSWORKSA-N 2 0 368.522 0.184 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130305140 1201581220 /nfs/dbraw/zinc/58/12/20/1201581220.db2.gz KUKMVNPTDKJWDD-APWZRJJASA-N 2 0 368.522 0.186 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130307676 1201582549 /nfs/dbraw/zinc/58/25/49/1201582549.db2.gz YIVFIICHYYFFIE-GMBSWORKSA-N 2 0 368.522 0.184 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941410 1224692817 /nfs/dbraw/zinc/69/28/17/1224692817.db2.gz XPSYIBGYDRHSBI-IAGOWNOFSA-N 2 0 361.490 0.791 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)c2)CC1 ZINC001219959554 1224701590 /nfs/dbraw/zinc/70/15/90/1224701590.db2.gz YQNFGBYZXIPEDD-YLJYHZDGSA-N 3 0 357.502 0.254 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCc1ccncc1 ZINC001219980770 1224712709 /nfs/dbraw/zinc/71/27/09/1224712709.db2.gz OVWYZAUKPUPGIQ-IRXDYDNUSA-N 2 0 361.490 0.578 20 0 FCADRP COC(=O)C1(NC(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)CC[NH2+]CC1 ZINC001219998913 1224722733 /nfs/dbraw/zinc/72/27/33/1224722733.db2.gz FMYYOWIYDPKGAQ-INIZCTEOSA-N 2 0 373.453 0.748 20 0 FCADRP COC(=O)C1(NC(=O)C[C@H]2CN(Cc3ccccc3)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999536 1224722673 /nfs/dbraw/zinc/72/26/73/1224722673.db2.gz WRXQORJTXRSNMS-KRWDZBQOSA-N 2 0 374.485 0.262 20 0 FCADRP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)CC[NH2+]CC1 ZINC001220001520 1224723476 /nfs/dbraw/zinc/72/34/76/1224723476.db2.gz ROXDTWXPSCCNHC-OAHLLOKOSA-N 2 0 356.426 0.516 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H](c2ccco2)N2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001219999204 1224722915 /nfs/dbraw/zinc/72/29/15/1224722915.db2.gz NBYAYXRDBQWRJX-OAHLLOKOSA-N 2 0 364.446 0.027 20 0 FCADRP CCOC(=O)Cc1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220011091 1224726633 /nfs/dbraw/zinc/72/66/33/1224726633.db2.gz QTPJWXZWCAUXNZ-KRWDZBQOSA-N 2 0 362.474 0.159 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220043055 1224735605 /nfs/dbraw/zinc/73/56/05/1224735605.db2.gz CWRZFGIRIVDJBW-DNVCBOLYSA-N 2 0 352.442 0.496 20 0 FCADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220045149 1224736168 /nfs/dbraw/zinc/73/61/68/1224736168.db2.gz NSBVLZQQHVBKLV-INIZCTEOSA-N 2 0 366.425 0.234 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672537 1202752154 /nfs/dbraw/zinc/75/21/54/1202752154.db2.gz RRWFYZALJOBGDU-HLLBOEOZSA-N 2 0 365.522 0.663 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001130731425 1202772012 /nfs/dbraw/zinc/77/20/12/1202772012.db2.gz CWLZNJWPOXWEHO-FUHWJXTLSA-N 2 0 363.506 0.563 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n2)O1 ZINC001130790120 1202798934 /nfs/dbraw/zinc/79/89/34/1202798934.db2.gz IQFCBDQCKJNQOY-SQWLQELKSA-N 2 0 364.494 0.979 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC3CC[NH+](C)CC3)n2)O1 ZINC001130808994 1202801618 /nfs/dbraw/zinc/80/16/18/1202801618.db2.gz BKDGLVLXFSCRTK-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP CC[C@@H](F)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802168 1202803401 /nfs/dbraw/zinc/80/34/01/1202803401.db2.gz GAIMUJRUHPVUPP-HZSPNIEDSA-N 2 0 370.473 0.930 20 0 FCADRP C[NH+](C)CC1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC1 ZINC001130802156 1202803539 /nfs/dbraw/zinc/80/35/39/1202803539.db2.gz FRCIQCXTZSTBHI-QWHCGFSZSA-N 2 0 368.457 0.542 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CC[NH+](CC3)C4)n2)O1 ZINC001130817173 1202807877 /nfs/dbraw/zinc/80/78/77/1202807877.db2.gz DGRKCXBBSXCXIW-UONOGXRCSA-N 2 0 362.478 0.736 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131007830 1202841965 /nfs/dbraw/zinc/84/19/65/1202841965.db2.gz NHJINXYATBVWPL-JFIYKMOQSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131060178 1202853819 /nfs/dbraw/zinc/85/38/19/1202853819.db2.gz XTXHAFIEQNHGGW-GVDBMIGSSA-N 2 0 365.522 0.807 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)o1 ZINC001131068244 1202855868 /nfs/dbraw/zinc/85/58/68/1202855868.db2.gz VLDIGWFVAIETCW-HZPDHXFCSA-N 2 0 360.462 0.752 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCCO ZINC001131071959 1202856650 /nfs/dbraw/zinc/85/66/50/1202856650.db2.gz GLKGVVQQBAKYER-HZPDHXFCSA-N 2 0 363.506 0.418 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131100898 1202862965 /nfs/dbraw/zinc/86/29/65/1202862965.db2.gz BGICMYCJYYHKMK-GVDBMIGSSA-N 2 0 365.522 0.807 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131316859 1202886241 /nfs/dbraw/zinc/88/62/41/1202886241.db2.gz ZIGKLFMOEGAPRY-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCCNC2=O)CC1 ZINC001131564362 1202915012 /nfs/dbraw/zinc/91/50/12/1202915012.db2.gz JEGZKUQMGFDXOS-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131604825 1202918625 /nfs/dbraw/zinc/91/86/25/1202918625.db2.gz IYOHEHPOOJDDOY-JZXOWHBKSA-N 2 0 366.506 0.012 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131595457 1202919263 /nfs/dbraw/zinc/91/92/63/1202919263.db2.gz XXXNFFRYLVJUOQ-LESCRADOSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001086699970 1202974766 /nfs/dbraw/zinc/97/47/66/1202974766.db2.gz QFCWCDZEFVAUOG-YYIAUSFCSA-N 2 0 366.506 0.060 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134129573 1203014308 /nfs/dbraw/zinc/01/43/08/1203014308.db2.gz LGLRCOYSIZEFQS-NXHRZFHOSA-N 2 0 360.502 0.952 20 0 FCADRP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001086732183 1203056878 /nfs/dbraw/zinc/05/68/78/1203056878.db2.gz ZPGKYWZISVOZCZ-JYYAWHABSA-N 2 0 364.494 0.392 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001086808845 1203108956 /nfs/dbraw/zinc/10/89/56/1203108956.db2.gz DVTNXXJFFLXURV-HPBDAGMYSA-N 2 0 358.486 0.692 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817927176 1203124652 /nfs/dbraw/zinc/12/46/52/1203124652.db2.gz YJSOBJWIWQEIER-OAQYLSRUSA-N 2 0 372.513 0.974 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817927200 1203124701 /nfs/dbraw/zinc/12/47/01/1203124701.db2.gz ZCKPQYQJZIZFTG-SJLPKXTDSA-N 2 0 360.502 0.815 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986731 1203130362 /nfs/dbraw/zinc/13/03/62/1203130362.db2.gz NPVLTCVRWFWPHR-XAUMDUMWSA-N 2 0 360.502 0.816 20 0 FCADRP Cn1nnc(CN[C@@H]2CC[C@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC001086829559 1203166937 /nfs/dbraw/zinc/16/69/37/1203166937.db2.gz FNSOCPRKWAVHFU-DOTOQJQBSA-N 2 0 371.489 0.960 20 0 FCADRP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@@H]1CC[NH2+]1 ZINC001220118270 1224775136 /nfs/dbraw/zinc/77/51/36/1224775136.db2.gz UYHWBTWJKKPZSB-LBPRGKRZSA-N 2 0 353.386 0.279 20 0 FCADRP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001220117375 1224775437 /nfs/dbraw/zinc/77/54/37/1224775437.db2.gz JQPZGBYWTIXNSX-STQMWFEESA-N 2 0 367.413 0.654 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@H]2CCN3)c1 ZINC001220120582 1224777380 /nfs/dbraw/zinc/77/73/80/1224777380.db2.gz IIZUXYHNUBAGPW-ACJLOTCBSA-N 2 0 359.430 0.350 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143682597 1203325396 /nfs/dbraw/zinc/32/53/96/1203325396.db2.gz XKHXFXIKGUHKDE-ZWKOTPCHSA-N 2 0 361.486 0.978 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)CO[C@H]3CCC[NH2+]C3)ccc2oc1=O ZINC000844179719 1203338254 /nfs/dbraw/zinc/33/82/54/1203338254.db2.gz XGQDCWFEWWBOCN-AWEZNQCLSA-N 2 0 362.430 0.863 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228074 1224809540 /nfs/dbraw/zinc/80/95/40/1224809540.db2.gz ABFJVPVFGPVYDJ-RTBURBONSA-N 2 0 360.458 0.001 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001220230330 1224811057 /nfs/dbraw/zinc/81/10/57/1224811057.db2.gz BDSRYOPJRSCSNJ-KSZLIROESA-N 2 0 361.486 0.093 20 0 FCADRP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220296581 1224822974 /nfs/dbraw/zinc/82/29/74/1224822974.db2.gz SIUYEKQAOGEPLJ-BEFAXECRSA-N 2 0 370.453 0.567 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)NCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC001220306152 1224824569 /nfs/dbraw/zinc/82/45/69/1224824569.db2.gz DPHNKOLYOGSUJR-SFHVURJKSA-N 2 0 357.502 0.802 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311911 1224826333 /nfs/dbraw/zinc/82/63/33/1224826333.db2.gz TYBBQMLGUASVNX-AWEZNQCLSA-N 2 0 363.462 0.586 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315860 1224827423 /nfs/dbraw/zinc/82/74/23/1224827423.db2.gz JOCITXYENPPDPZ-HLIPFELVSA-N 2 0 360.502 0.909 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220323245 1224828923 /nfs/dbraw/zinc/82/89/23/1224828923.db2.gz DUBCJTVGXSCTKT-FVINJOMDSA-N 2 0 370.453 0.126 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000846323041 1204613634 /nfs/dbraw/zinc/61/36/34/1204613634.db2.gz DAKRUCDKRBZGPZ-UHFFFAOYSA-N 2 0 373.501 0.964 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCN1 ZINC001220356839 1224841378 /nfs/dbraw/zinc/84/13/78/1224841378.db2.gz FMRDAMPTYXDBDY-BRWVUGGUSA-N 2 0 360.458 0.123 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001144934345 1204660047 /nfs/dbraw/zinc/66/00/47/1204660047.db2.gz XZLYEARQZDYCFN-SJLPKXTDSA-N 2 0 371.485 0.982 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220369242 1224845088 /nfs/dbraw/zinc/84/50/88/1224845088.db2.gz CXBVSYZUGWXPFK-SJORKVTESA-N 2 0 365.522 0.639 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758819 1204843650 /nfs/dbraw/zinc/84/36/50/1204843650.db2.gz MGXFWNUWVFEYPD-KPFFTGBYSA-N 2 0 364.534 0.975 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086854776 1204852860 /nfs/dbraw/zinc/85/28/60/1204852860.db2.gz PELDMVJMMZSVRF-LSDHHAIUSA-N 2 0 362.474 0.106 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086982377 1204878227 /nfs/dbraw/zinc/87/82/27/1204878227.db2.gz GAZKQPUQBJWKCE-FGTMMUONSA-N 2 0 363.506 0.559 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)[NH+]1CCCCCC1 ZINC001087000928 1204889599 /nfs/dbraw/zinc/88/95/99/1204889599.db2.gz VOQFHOTUIFKISB-RYQLBKOJSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087009801 1204897583 /nfs/dbraw/zinc/89/75/83/1204897583.db2.gz YXFNWIBMITYJPK-YTQUADARSA-N 2 0 368.485 0.851 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087059372 1204942856 /nfs/dbraw/zinc/94/28/56/1204942856.db2.gz BIXCYFDKZWPRSW-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087059865 1204943711 /nfs/dbraw/zinc/94/37/11/1204943711.db2.gz YEQUVLPLKDXQOY-JFIYKMOQSA-N 2 0 361.490 0.770 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059648 1204944131 /nfs/dbraw/zinc/94/41/31/1204944131.db2.gz OANPJZPVOBBIPB-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059541 1204944181 /nfs/dbraw/zinc/94/41/81/1204944181.db2.gz KRFGNDLDEPEOAE-IAGOWNOFSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087059662 1204944672 /nfs/dbraw/zinc/94/46/72/1204944672.db2.gz OUVPNCYJVMGNCZ-DJIMGWMZSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059649 1204944723 /nfs/dbraw/zinc/94/47/23/1204944723.db2.gz OANPJZPVOBBIPB-HYVNUMGLSA-N 2 0 366.506 0.202 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087061107 1204947989 /nfs/dbraw/zinc/94/79/89/1204947989.db2.gz OCHFCRYDSLMAMZ-OIISXLGYSA-N 2 0 367.494 0.917 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087062921 1204949763 /nfs/dbraw/zinc/94/97/63/1204949763.db2.gz BAHPJAVARPAKQR-DJIMGWMZSA-N 2 0 365.478 0.815 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087062794 1204950819 /nfs/dbraw/zinc/95/08/19/1204950819.db2.gz VOEVPBJZHPXZHO-FVQBIDKESA-N 2 0 368.478 0.977 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087063098 1204951034 /nfs/dbraw/zinc/95/10/34/1204951034.db2.gz IQZHINZNUWJPLQ-OWCLPIDISA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087080736 1204993566 /nfs/dbraw/zinc/99/35/66/1204993566.db2.gz CFNNFAGCYHTSBJ-BFYDXBDKSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](C)c1nncn1C ZINC001087101725 1204999931 /nfs/dbraw/zinc/99/99/31/1204999931.db2.gz YSJBWJZNAGSQBY-BZUAXINKSA-N 2 0 364.494 0.425 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087101645 1205000135 /nfs/dbraw/zinc/00/01/35/1205000135.db2.gz VDUPXTAENKAJOF-SJLPKXTDSA-N 2 0 361.490 0.834 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087102716 1205001157 /nfs/dbraw/zinc/00/11/57/1205001157.db2.gz SBZWLNQWNKYHOQ-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087096695 1205004195 /nfs/dbraw/zinc/00/41/95/1205004195.db2.gz XTCRKHCRGHVYFR-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087096566 1205004267 /nfs/dbraw/zinc/00/42/67/1205004267.db2.gz RVSLKZVDPKYPIW-ARFHVFGLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087096464 1205005012 /nfs/dbraw/zinc/00/50/12/1205005012.db2.gz OQSOREZVWUJXLN-BRWVUGGUSA-N 2 0 361.490 0.772 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910088 1205068676 /nfs/dbraw/zinc/06/86/76/1205068676.db2.gz HQTPAPKRDAWZIM-APWZRJJASA-N 2 0 360.506 0.933 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960020 1205093208 /nfs/dbraw/zinc/09/32/08/1205093208.db2.gz KMZUGBPJXKCBIC-CLCXKQKWSA-N 2 0 362.474 0.999 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CCN(c2ncnc3c2CN(C)CC3)[C@@H]1C)[NH+](C)C ZINC001091996792 1205097669 /nfs/dbraw/zinc/09/76/69/1205097669.db2.gz YPWXCMQUCXIAAY-UKPHBRMFSA-N 2 0 360.506 0.888 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220428562 1224869504 /nfs/dbraw/zinc/86/95/04/1224869504.db2.gz ALMHLKIGEMWHHI-MSOLQXFVSA-N 2 0 373.457 0.032 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092157536 1205174360 /nfs/dbraw/zinc/17/43/60/1205174360.db2.gz CXUSUYDFXIJZDF-UWVAXJGDSA-N 2 0 362.518 0.776 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092203720 1205197140 /nfs/dbraw/zinc/19/71/40/1205197140.db2.gz IDMBZDVXJYJGOC-ZTQAJYAQSA-N 2 0 371.485 0.820 20 0 FCADRP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)n1 ZINC001092203327 1205198143 /nfs/dbraw/zinc/19/81/43/1205198143.db2.gz JWCGFLCWAXSDGO-BEFAXECRSA-N 2 0 371.485 0.861 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272593 1205220058 /nfs/dbraw/zinc/22/00/58/1205220058.db2.gz GUHMADBDESEGJK-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273814 1205221319 /nfs/dbraw/zinc/22/13/19/1205221319.db2.gz SOXYGZXPPZSGCQ-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3C[C@@H](O)C[NH2+]3)nc3ccc(C)cc3n12 ZINC001220456157 1224878021 /nfs/dbraw/zinc/87/80/21/1224878021.db2.gz DRAKCTXOMIAIPY-UKRRQHHQSA-N 2 0 368.441 0.514 20 0 FCADRP CC(C)n1cc(CN2C[C@@H](CNC(=O)[C@H]3CN(C)CCO3)[C@H](C)C2)nn1 ZINC001092522031 1205302395 /nfs/dbraw/zinc/30/23/95/1205302395.db2.gz JFFLXDCNCFQPOO-BFYDXBDKSA-N 2 0 364.494 0.374 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001092615935 1205329483 /nfs/dbraw/zinc/32/94/83/1205329483.db2.gz SLBHYGQPDZWPSL-OWYHZJEWSA-N 2 0 367.534 0.800 20 0 FCADRP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])OC(C)(C)O1 ZINC001220466282 1224881859 /nfs/dbraw/zinc/88/18/59/1224881859.db2.gz ABTYATBUWQGGLV-RDBSUJKOSA-N 2 0 373.494 0.811 20 0 FCADRP [NH3+][C@@H](CNC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC001220503555 1224895009 /nfs/dbraw/zinc/89/50/09/1224895009.db2.gz DXARGSOMVUDQBU-DOTOQJQBSA-N 2 0 366.425 0.820 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)cc2)CC1 ZINC001220515761 1224899608 /nfs/dbraw/zinc/89/96/08/1224899608.db2.gz JVNQQCVHLQWQMM-HVOIHPLZSA-N 2 0 360.458 0.290 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1 ZINC001220519692 1224901227 /nfs/dbraw/zinc/90/12/27/1224901227.db2.gz YGTNUGJQSOFJBT-ZWKOTPCHSA-N 2 0 365.474 0.432 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc2ccnn21 ZINC001220553485 1224926318 /nfs/dbraw/zinc/92/63/18/1224926318.db2.gz NOCICNZJWXZHBV-IRXDYDNUSA-N 2 0 372.473 0.398 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001093287695 1206073057 /nfs/dbraw/zinc/07/30/57/1206073057.db2.gz GLAPWPZSFVYZPB-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093452011 1206081984 /nfs/dbraw/zinc/08/19/84/1206081984.db2.gz BMGMFCQIACTWTC-VXIBKDFQSA-N 2 0 365.518 0.573 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093820899 1206123406 /nfs/dbraw/zinc/12/34/06/1206123406.db2.gz QQVRCDMMIWFPOA-IXDOHACOSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093835992 1206128221 /nfs/dbraw/zinc/12/82/21/1206128221.db2.gz SIHIXOJGZXPMFT-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001093865022 1206136734 /nfs/dbraw/zinc/13/67/34/1206136734.db2.gz BQXUQQBFLOOCHF-BZUAXINKSA-N 2 0 363.510 0.752 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001093864210 1206136762 /nfs/dbraw/zinc/13/67/62/1206136762.db2.gz JORWBRSBSDSNGH-BZUAXINKSA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093920229 1206150076 /nfs/dbraw/zinc/15/00/76/1206150076.db2.gz YTEYQJUUIXMQDD-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093929778 1206151898 /nfs/dbraw/zinc/15/18/98/1206151898.db2.gz DGMBBPHWPLEADZ-YVVKENRBSA-N 2 0 361.446 0.117 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093941077 1206163407 /nfs/dbraw/zinc/16/34/07/1206163407.db2.gz FWVSQYINRVYWCE-UNEWFSDZSA-N 2 0 361.494 0.269 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)C1 ZINC001094041911 1206174570 /nfs/dbraw/zinc/17/45/70/1206174570.db2.gz IBVXOKYVRMKHTE-RRFJBIMHSA-N 2 0 361.494 0.534 20 0 FCADRP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001094224670 1206211308 /nfs/dbraw/zinc/21/13/08/1206211308.db2.gz XATBJAIIZVMKAH-IJEWVQPXSA-N 2 0 365.478 0.530 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169132 1206258479 /nfs/dbraw/zinc/25/84/79/1206258479.db2.gz DLSTWLXFEKGDEO-MSOLQXFVSA-N 2 0 372.513 0.964 20 0 FCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCOCC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172261299 1206260937 /nfs/dbraw/zinc/26/09/37/1206260937.db2.gz UYXLJHSRXKDVHL-IXDOHACOSA-N 2 0 364.442 0.863 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]CCN(C)CC[NH3+])CC2=O)c(OC)c1 ZINC001173035143 1206265638 /nfs/dbraw/zinc/26/56/38/1206265638.db2.gz JNQCCYXCYQIISY-MRXNPFEDSA-N 2 0 364.490 0.675 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=NO[C@@H]2C1 ZINC001179229622 1206378611 /nfs/dbraw/zinc/37/86/11/1206378611.db2.gz XUTGJNHLPAPVQZ-WDEREUQCSA-N 2 0 368.438 0.069 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496218 1206438139 /nfs/dbraw/zinc/43/81/39/1206438139.db2.gz ZVLVHDQSYJZCHT-GJZGRUSLSA-N 2 0 366.506 0.391 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001182693537 1206442186 /nfs/dbraw/zinc/44/21/86/1206442186.db2.gz VVEGNMQJPOYAEK-HYVNUMGLSA-N 2 0 362.474 0.817 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001183373442 1206453056 /nfs/dbraw/zinc/45/30/56/1206453056.db2.gz UEVOZVVVAHKTGT-ZOFXXKQRSA-N 2 0 359.474 0.774 20 0 FCADRP Cc1cncc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001203167886 1206462349 /nfs/dbraw/zinc/46/23/49/1206462349.db2.gz LOGKSKHVNCJUJU-UHFFFAOYSA-N 2 0 360.506 0.455 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273510403 1206487346 /nfs/dbraw/zinc/48/73/46/1206487346.db2.gz GCXHQAHMHQLOMR-XSLAGTTESA-N 2 0 360.502 0.624 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001220651277 1224989972 /nfs/dbraw/zinc/98/99/72/1224989972.db2.gz IOMHUQLIHSNQHE-KRWDZBQOSA-N 2 0 358.486 0.729 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220654231 1224993857 /nfs/dbraw/zinc/99/38/57/1224993857.db2.gz KAOASEBIOGNNPU-QUCCMNQESA-N 2 0 371.529 0.929 20 0 FCADRP N[C@H](C[NH3+])c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220656236 1224993895 /nfs/dbraw/zinc/99/38/95/1224993895.db2.gz RGTXXQYGWPSPRS-GOSISDBHSA-N 2 0 353.470 0.985 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405168 1207454174 /nfs/dbraw/zinc/45/41/74/1207454174.db2.gz CFWMDUFUFCMSRP-BHYGNILZSA-N 2 0 357.458 0.329 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391017 1207539239 /nfs/dbraw/zinc/53/92/39/1207539239.db2.gz NSANZLKFAIDWSK-SOLBZPMBSA-N 2 0 363.506 0.752 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCN3CCOCC3)[C@@H]2C1 ZINC001189426549 1207547832 /nfs/dbraw/zinc/54/78/32/1207547832.db2.gz YVBRUAWNWWGCRC-OKZBNKHCSA-N 2 0 369.506 0.029 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001189433839 1207550095 /nfs/dbraw/zinc/55/00/95/1207550095.db2.gz XETHHSVPHRRVKL-BHYGNILZSA-N 2 0 361.490 0.981 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189820043 1207605353 /nfs/dbraw/zinc/60/53/53/1207605353.db2.gz LQVWFEMQBIBWBS-OKZBNKHCSA-N 2 0 369.506 0.293 20 0 FCADRP C[C@H](NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189802389 1207610582 /nfs/dbraw/zinc/61/05/82/1207610582.db2.gz XZHCSDZCNNPXQT-BHYGNILZSA-N 2 0 360.502 0.530 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189912813 1207619697 /nfs/dbraw/zinc/61/96/97/1207619697.db2.gz GEBWTPBEFUASLW-DLBZAZTESA-N 2 0 367.538 0.959 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148996 1207648290 /nfs/dbraw/zinc/64/82/90/1207648290.db2.gz NBXIZDMEJHTKJD-RCCFBDPRSA-N 2 0 360.506 0.933 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220683580 1225011958 /nfs/dbraw/zinc/01/19/58/1225011958.db2.gz OTRKGUJZRGMIQZ-ZCHQSPEWSA-N 2 0 354.454 0.888 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001190323678 1207675711 /nfs/dbraw/zinc/67/57/11/1207675711.db2.gz AYFZNSXLYCLHOI-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)Cc1ccccc1 ZINC001190467033 1207691009 /nfs/dbraw/zinc/69/10/09/1207691009.db2.gz KGVFNDDEEAQBLA-GBESFXJTSA-N 2 0 370.497 0.882 20 0 FCADRP CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc(-c2ccccn2)nc1O ZINC001190637608 1207712246 /nfs/dbraw/zinc/71/22/46/1207712246.db2.gz JXCVBLKIHFBIAJ-UHFFFAOYSA-N 2 0 357.418 0.922 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001273660019 1207877274 /nfs/dbraw/zinc/87/72/74/1207877274.db2.gz OXMAOUUDDPTISK-KBXCAEBGSA-N 2 0 362.478 0.326 20 0 FCADRP C[C@@H]1CCCCN1C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791702 1207889502 /nfs/dbraw/zinc/88/95/02/1207889502.db2.gz PDMHADYALRYOSQ-DJIMGWMZSA-N 2 0 366.506 0.033 20 0 FCADRP COCc1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001193791260 1207889607 /nfs/dbraw/zinc/88/96/07/1207889607.db2.gz HYAIXPXKCFQYCI-RTBURBONSA-N 2 0 361.486 0.979 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001194103044 1207919277 /nfs/dbraw/zinc/91/92/77/1207919277.db2.gz SUFAJLBZRROEHE-GVDBMIGSSA-N 2 0 369.506 0.075 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CC1 ZINC001194430312 1207950167 /nfs/dbraw/zinc/95/01/67/1207950167.db2.gz AOENFYZBAJYDLY-KURKYZTESA-N 2 0 358.442 0.924 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194552340 1207961338 /nfs/dbraw/zinc/96/13/38/1207961338.db2.gz YVAGDIZCNQCPCE-UHFFFAOYSA-N 2 0 366.437 0.542 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CC1 ZINC001195640159 1208030455 /nfs/dbraw/zinc/03/04/55/1208030455.db2.gz BCFAIYXMNDYIHQ-BRWVUGGUSA-N 2 0 365.474 0.931 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001195870538 1208045199 /nfs/dbraw/zinc/04/51/99/1208045199.db2.gz IEGVLEMFGKTPNQ-QZTJIDSGSA-N 2 0 357.458 0.485 20 0 FCADRP CN(CC1CCCCC1)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871590 1208045306 /nfs/dbraw/zinc/04/53/06/1208045306.db2.gz QIDGEBDYKHWTKL-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001195981738 1208049146 /nfs/dbraw/zinc/04/91/46/1208049146.db2.gz ZQJWKGCOHXMTFL-KZNAEPCWSA-N 2 0 367.465 0.566 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001197536160 1208170970 /nfs/dbraw/zinc/17/09/70/1208170970.db2.gz MNSLBVFIXFHPDW-RTBURBONSA-N 2 0 371.485 0.875 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197723338 1208190566 /nfs/dbraw/zinc/19/05/66/1208190566.db2.gz GGQOPGPKWOVOLZ-BRWVUGGUSA-N 2 0 368.522 0.329 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819405 1208201260 /nfs/dbraw/zinc/20/12/60/1208201260.db2.gz BFJNYYBVWHANCL-QZTJIDSGSA-N 2 0 359.470 0.713 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046397 1208212500 /nfs/dbraw/zinc/21/25/00/1208212500.db2.gz CCEWVBSNUJQVCC-GVDBMIGSSA-N 2 0 368.522 0.137 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001198029689 1208215314 /nfs/dbraw/zinc/21/53/14/1208215314.db2.gz VOTWXRQVKZXGRQ-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)n2cc(N)c(=O)nc2N)cc1 ZINC001198042668 1208217156 /nfs/dbraw/zinc/21/71/56/1208217156.db2.gz ZHDWVRZFZINZIO-UHFFFAOYSA-N 2 0 358.446 0.722 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001199097465 1208318754 /nfs/dbraw/zinc/31/87/54/1208318754.db2.gz ZXRLFKIDKPKGPY-QZTJIDSGSA-N 2 0 361.486 0.666 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220794477 1225076953 /nfs/dbraw/zinc/07/69/53/1225076953.db2.gz QDLAQOJJFSIFNC-YJBOKZPZSA-N 2 0 367.457 0.362 20 0 FCADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220791156 1225075478 /nfs/dbraw/zinc/07/54/78/1225075478.db2.gz WVQMXKPWBDQYNK-OWSLCNJRSA-N 2 0 371.485 0.591 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4(C[NH+](C)C)CC4)C3)C2)CC[N@@H+]1C ZINC001488840463 1208556147 /nfs/dbraw/zinc/55/61/47/1208556147.db2.gz BZBVJNTXFPVNFZ-HZPDHXFCSA-N 2 0 362.518 0.729 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001489052754 1208622513 /nfs/dbraw/zinc/62/25/13/1208622513.db2.gz QDMKTYSYZYJIMQ-SQNIBIBYSA-N 2 0 355.523 0.942 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220801513 1225080292 /nfs/dbraw/zinc/08/02/92/1225080292.db2.gz ZYHINKCNAPYMTI-GRYCIOLGSA-N 2 0 372.395 0.186 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220802955 1225081318 /nfs/dbraw/zinc/08/13/18/1225081318.db2.gz AKTSVEGUNSILLQ-IHRRRGAJSA-N 2 0 372.391 0.329 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001489249607 1208689473 /nfs/dbraw/zinc/68/94/73/1208689473.db2.gz CEOOWKIESANGAH-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001489361125 1208821343 /nfs/dbraw/zinc/82/13/43/1208821343.db2.gz FFRVWZXTRPQTGG-INMHGKMJSA-N 2 0 370.538 0.238 20 0 FCADRP CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220845401 1225104248 /nfs/dbraw/zinc/10/42/48/1225104248.db2.gz NWOVPEDWMCMVTA-JKSUJKDBSA-N 2 0 370.538 1.000 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001489662985 1209077413 /nfs/dbraw/zinc/07/74/13/1209077413.db2.gz HWPOUIDFFFLAHG-NUJGCVRESA-N 2 0 352.523 0.974 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865576 1225115026 /nfs/dbraw/zinc/11/50/26/1225115026.db2.gz BYXDDFCXUAAHDC-SFHVURJKSA-N 2 0 365.437 0.908 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900302 1225129334 /nfs/dbraw/zinc/12/93/34/1225129334.db2.gz GPXQNMRZKBWDCC-INIZCTEOSA-N 2 0 367.538 0.426 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@]3(N)CC[NH2+]C3)CC2)c1 ZINC001220913145 1225137057 /nfs/dbraw/zinc/13/70/57/1225137057.db2.gz JNVYYULRSGETIT-LJQANCHMSA-N 2 0 360.458 0.245 20 0 FCADRP C[NH+](C)CCN1CCC2(CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2)C1=O ZINC001276817266 1225139869 /nfs/dbraw/zinc/13/98/69/1225139869.db2.gz FJLZQDILZOOYSZ-OAHLLOKOSA-N 2 0 369.506 0.565 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851680108 1209510674 /nfs/dbraw/zinc/51/06/74/1209510674.db2.gz GJIGZCQAGSFDBG-UHFFFAOYSA-N 2 0 372.473 0.957 20 0 FCADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001220926289 1225144214 /nfs/dbraw/zinc/14/42/14/1225144214.db2.gz FWIZFQIQRSGYOJ-RDJZCZTQSA-N 2 0 357.458 0.689 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000852753904 1209562147 /nfs/dbraw/zinc/56/21/47/1209562147.db2.gz KKSOOBNLDSAKED-KRWDZBQOSA-N 2 0 366.506 0.999 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935912 1225148575 /nfs/dbraw/zinc/14/85/75/1225148575.db2.gz ANKVPYZTUQOQQB-QZTJIDSGSA-N 2 0 358.486 0.203 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941810 1225150109 /nfs/dbraw/zinc/15/01/09/1225150109.db2.gz ZQAQMOLGQGDPLE-JYJNAYRXSA-N 2 0 362.478 0.713 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857244629 1209748082 /nfs/dbraw/zinc/74/80/82/1209748082.db2.gz IYZQAIWVJIBEBV-NQIIRXRSSA-N 2 0 372.513 0.959 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000861574425 1209871674 /nfs/dbraw/zinc/87/16/74/1209871674.db2.gz UKCVNLDTCJEHQO-YOEHRIQHSA-N 2 0 361.490 0.873 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741325 1209878696 /nfs/dbraw/zinc/87/86/96/1209878696.db2.gz ZXZFLSYMONUZRT-WMLDXEAASA-N 2 0 364.490 1.000 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000861745479 1209879158 /nfs/dbraw/zinc/87/91/58/1209879158.db2.gz MKDOGDDMYTXPSG-RDJZCZTQSA-N 2 0 362.474 0.199 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000861756681 1209880253 /nfs/dbraw/zinc/88/02/53/1209880253.db2.gz GHTONPHDZVPCLS-INIZCTEOSA-N 2 0 361.490 0.121 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000861763011 1209880632 /nfs/dbraw/zinc/88/06/32/1209880632.db2.gz JGFNSBUXBCGFIY-AWEZNQCLSA-N 2 0 362.474 0.065 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CCOCC2)c1 ZINC001220990707 1225177904 /nfs/dbraw/zinc/17/79/04/1225177904.db2.gz VYEIXXFFWHRLCC-OAHLLOKOSA-N 2 0 360.458 0.064 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863750566 1209949514 /nfs/dbraw/zinc/94/95/14/1209949514.db2.gz QUYZIDZNIAJRDN-DOTOQJQBSA-N 2 0 361.490 0.700 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863750568 1209949564 /nfs/dbraw/zinc/94/95/64/1209949564.db2.gz QUYZIDZNIAJRDN-RDJZCZTQSA-N 2 0 361.490 0.700 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000863754103 1209949996 /nfs/dbraw/zinc/94/99/96/1209949996.db2.gz NYSMBYGDGUURHG-OAHLLOKOSA-N 2 0 361.490 0.353 20 0 FCADRP CC[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCNC1=O ZINC000865069558 1209970347 /nfs/dbraw/zinc/97/03/47/1209970347.db2.gz HUZXUZOKMQHCFW-LJQANCHMSA-N 2 0 359.474 0.626 20 0 FCADRP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665750 1210001123 /nfs/dbraw/zinc/00/11/23/1210001123.db2.gz GECVQAQCNQPANM-ZWKOTPCHSA-N 2 0 371.485 0.548 20 0 FCADRP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866710851 1210004234 /nfs/dbraw/zinc/00/42/34/1210004234.db2.gz WMRXRKTVSIIHRI-ZACQAIPSSA-N 2 0 358.442 0.755 20 0 FCADRP O=C(/C=C\CN1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000866768147 1210005556 /nfs/dbraw/zinc/00/55/56/1210005556.db2.gz PLXRRPSDANFJLC-ZDMMHOJSSA-N 2 0 373.497 0.874 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221004899 1225182341 /nfs/dbraw/zinc/18/23/41/1225182341.db2.gz SMJCKFAKDPLHIQ-ULQDDVLXSA-N 2 0 359.474 0.630 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218089 1210044726 /nfs/dbraw/zinc/04/47/26/1210044726.db2.gz ZKGKYQOSIXCNFY-QZTJIDSGSA-N 2 0 374.489 0.210 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037303 1225193904 /nfs/dbraw/zinc/19/39/04/1225193904.db2.gz QBXVUDDREASMIW-WMZOPIPTSA-N 2 0 362.449 0.851 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783954 1210431380 /nfs/dbraw/zinc/43/13/80/1210431380.db2.gz RVEBEYNRJDOVNU-QZTJIDSGSA-N 2 0 374.533 0.968 20 0 FCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981600 1210435833 /nfs/dbraw/zinc/43/58/33/1210435833.db2.gz WPEXTOYJNVNOTN-OFQRWUPVSA-N 2 0 360.506 0.899 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246818 1210440949 /nfs/dbraw/zinc/44/09/49/1210440949.db2.gz QJFXOWLVJHRJSU-JCECYMMASA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879595848 1210491136 /nfs/dbraw/zinc/49/11/36/1210491136.db2.gz GPFIQVBQWFIZBQ-IBGZPJMESA-N 2 0 370.538 0.974 20 0 FCADRP CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000880310900 1210526515 /nfs/dbraw/zinc/52/65/15/1210526515.db2.gz OAEPUAVPQVYWBL-NXHRZFHOSA-N 2 0 371.485 0.529 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001221113874 1225227310 /nfs/dbraw/zinc/22/73/10/1225227310.db2.gz DZMHCVUIJYCMSK-UZLBHIALSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883331899 1210662488 /nfs/dbraw/zinc/66/24/88/1210662488.db2.gz JFNAMQNIVGBXBS-KZNAEPCWSA-N 2 0 366.506 0.792 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604024 1210672913 /nfs/dbraw/zinc/67/29/13/1210672913.db2.gz KQUZGIGSWLTWFO-FUHWJXTLSA-N 2 0 371.485 0.730 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604023 1210672927 /nfs/dbraw/zinc/67/29/27/1210672927.db2.gz KQUZGIGSWLTWFO-AEFFLSMTSA-N 2 0 371.485 0.730 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883606629 1210673690 /nfs/dbraw/zinc/67/36/90/1210673690.db2.gz XZTWRYMWHAKIDT-QZTJIDSGSA-N 2 0 371.485 0.859 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883612131 1210675297 /nfs/dbraw/zinc/67/52/97/1210675297.db2.gz SYCXBTUFRQTSES-BMGDILEWSA-N 2 0 371.485 0.776 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883639278 1210677204 /nfs/dbraw/zinc/67/72/04/1210677204.db2.gz KQKZIEUGPXKTTR-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000883639171 1210677214 /nfs/dbraw/zinc/67/72/14/1210677214.db2.gz HWUIOFKLPGINBD-WBVHZDCISA-N 2 0 359.474 0.719 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883639396 1210677768 /nfs/dbraw/zinc/67/77/68/1210677768.db2.gz OGVWFVOZBFYTJO-JKSUJKDBSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCN1c1cc[nH+]cc1 ZINC000883643433 1210678115 /nfs/dbraw/zinc/67/81/15/1210678115.db2.gz LVYPIYXCPZTREV-INIZCTEOSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000889333032 1210703343 /nfs/dbraw/zinc/70/33/43/1210703343.db2.gz RGJCLSHIOCRVLM-HOTGVXAUSA-N 2 0 370.542 0.020 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884186164 1210721101 /nfs/dbraw/zinc/72/11/01/1210721101.db2.gz RSQOYYUPDAZDKY-GOSISDBHSA-N 2 0 373.501 0.864 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000884280739 1210728333 /nfs/dbraw/zinc/72/83/33/1210728333.db2.gz SIBWRFWLUAELQJ-OAHLLOKOSA-N 2 0 374.407 0.851 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCO1 ZINC000884420598 1210734207 /nfs/dbraw/zinc/73/42/07/1210734207.db2.gz YETYQJNBAPPKFW-QGZVFWFLSA-N 2 0 361.490 0.674 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000884488824 1210738650 /nfs/dbraw/zinc/73/86/50/1210738650.db2.gz HVHJBXZHYHYWQE-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884503566 1210740444 /nfs/dbraw/zinc/74/04/44/1210740444.db2.gz NZLWICIRTKZOCL-QRVBRYPASA-N 2 0 370.497 0.630 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000884508270 1210741382 /nfs/dbraw/zinc/74/13/82/1210741382.db2.gz ZGOMVJBTBPZZOF-HNNXBMFYSA-N 2 0 367.538 0.023 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884516957 1210742788 /nfs/dbraw/zinc/74/27/88/1210742788.db2.gz ZCNQJGKFRPBWFF-BBWFWOEESA-N 2 0 364.490 0.099 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000884518326 1210743639 /nfs/dbraw/zinc/74/36/39/1210743639.db2.gz LZELRXYBYHYHTJ-OXJNMPFZSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884533082 1210745751 /nfs/dbraw/zinc/74/57/51/1210745751.db2.gz YTNPLTUALRVFHS-HAYURNKSSA-N 2 0 370.497 0.832 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884532728 1210745863 /nfs/dbraw/zinc/74/58/63/1210745863.db2.gz PBVIWWKIPDCNRY-AHCXZYCDSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884555459 1210749814 /nfs/dbraw/zinc/74/98/14/1210749814.db2.gz RRHNMNPGSGKUHH-QBIMZIAESA-N 2 0 356.470 0.416 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000884559682 1210751190 /nfs/dbraw/zinc/75/11/90/1210751190.db2.gz BJFDCLFJLZSKSN-FGTMMUONSA-N 2 0 374.485 0.042 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572791 1210754403 /nfs/dbraw/zinc/75/44/03/1210754403.db2.gz VYTDUXCDFWPSBV-CWLKWCNXSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884576425 1210754890 /nfs/dbraw/zinc/75/48/90/1210754890.db2.gz HIIAFXOLAFHVBK-FUHWJXTLSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000884578150 1210755348 /nfs/dbraw/zinc/75/53/48/1210755348.db2.gz UTMDZBWUVWUPPV-KBAYOESNSA-N 2 0 373.501 0.039 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884597751 1210757795 /nfs/dbraw/zinc/75/77/95/1210757795.db2.gz JAOMQXGGTKXEMS-LJQANCHMSA-N 2 0 366.506 0.207 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884598084 1210759306 /nfs/dbraw/zinc/75/93/06/1210759306.db2.gz SGTPPBGPEQLRDP-QAQDUYKDSA-N 2 0 367.538 0.154 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000884608843 1210762109 /nfs/dbraw/zinc/76/21/09/1210762109.db2.gz YNRFLOUVGFTWAN-PBHICJAKSA-N 2 0 360.502 0.910 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616983 1210763290 /nfs/dbraw/zinc/76/32/90/1210763290.db2.gz FULRSSNUCJSOGK-HOTGVXAUSA-N 2 0 366.506 0.252 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884639935 1210770317 /nfs/dbraw/zinc/77/03/17/1210770317.db2.gz OXDSCBMAHSUOIW-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000884649448 1210772671 /nfs/dbraw/zinc/77/26/71/1210772671.db2.gz DBHWCFAHZYHQIN-HKUYNNGSSA-N 2 0 370.497 0.950 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884660098 1210773851 /nfs/dbraw/zinc/77/38/51/1210773851.db2.gz LHYFVIUZDRFZCQ-BZSNNMDCSA-N 2 0 356.470 0.586 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000884661568 1210774517 /nfs/dbraw/zinc/77/45/17/1210774517.db2.gz VEVKDMVTCMGTSO-IAGOWNOFSA-N 2 0 362.449 0.727 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669652 1210775656 /nfs/dbraw/zinc/77/56/56/1210775656.db2.gz CDWVOKUCFJDFAN-ZWKOTPCHSA-N 2 0 356.470 0.692 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)cc1 ZINC000884669548 1210775806 /nfs/dbraw/zinc/77/58/06/1210775806.db2.gz ZALAHUOIZFASKB-BQFCYCMXSA-N 2 0 372.469 0.521 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884670155 1210775850 /nfs/dbraw/zinc/77/58/50/1210775850.db2.gz QFLUZTSSAJKCPV-BRWVUGGUSA-N 2 0 367.538 0.010 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCCC1 ZINC000884670086 1210775937 /nfs/dbraw/zinc/77/59/37/1210775937.db2.gz ORTNOJFZULFWEE-MAUKXSAKSA-N 2 0 358.486 0.665 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669791 1210776277 /nfs/dbraw/zinc/77/62/77/1210776277.db2.gz HAPREJGXKATXAT-ARFHVFGLSA-N 2 0 364.490 0.004 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884675851 1210777608 /nfs/dbraw/zinc/77/76/08/1210777608.db2.gz RRKMAPXDKYNCTA-FXAWDEMLSA-N 2 0 358.486 0.693 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000884678504 1210778117 /nfs/dbraw/zinc/77/81/17/1210778117.db2.gz DKKYUVYSFLOHMM-QZTJIDSGSA-N 2 0 374.485 0.166 20 0 FCADRP CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884677686 1210778261 /nfs/dbraw/zinc/77/82/61/1210778261.db2.gz ALWCYDWSHBUPEW-IRXDYDNUSA-N 2 0 362.449 0.899 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884701874 1210783665 /nfs/dbraw/zinc/78/36/65/1210783665.db2.gz QQVINMKQJVEBAI-CGTJXYLNSA-N 2 0 360.502 0.970 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721120 1210788485 /nfs/dbraw/zinc/78/84/85/1210788485.db2.gz AUSFCQOSGKSLCM-VQIMIIECSA-N 2 0 370.497 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000884727424 1210790199 /nfs/dbraw/zinc/79/01/99/1210790199.db2.gz SOXDVEJYPWVBGN-LTIDMASMSA-N 2 0 371.485 0.623 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000884726863 1210790607 /nfs/dbraw/zinc/79/06/07/1210790607.db2.gz DYDMWKNGQBGEKY-YYIAUSFCSA-N 2 0 371.485 0.623 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000884783046 1210794407 /nfs/dbraw/zinc/79/44/07/1210794407.db2.gz PDXTZALXYLNECA-ZIAGYGMSSA-N 2 0 372.460 0.871 20 0 FCADRP CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1(C[NH3+])CCCCC1 ZINC000884786955 1210795240 /nfs/dbraw/zinc/79/52/40/1210795240.db2.gz BEEHFQLQZYDTBI-MRXNPFEDSA-N 2 0 366.506 0.476 20 0 FCADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884812757 1210797650 /nfs/dbraw/zinc/79/76/50/1210797650.db2.gz ZMFUNPNGIBDBEL-QGZVFWFLSA-N 2 0 362.474 0.038 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884833078 1210799808 /nfs/dbraw/zinc/79/98/08/1210799808.db2.gz FVWRSDLQLPGGRB-BPQIPLTHSA-N 2 0 374.485 0.057 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835244 1210800383 /nfs/dbraw/zinc/80/03/83/1210800383.db2.gz NMLKMHKNAXDGND-RYRKJORJSA-N 2 0 358.486 0.691 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884848348 1210801105 /nfs/dbraw/zinc/80/11/05/1210801105.db2.gz VZWODDIQMNJTCF-UHFFFAOYSA-N 2 0 358.486 0.938 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc3ccccc3)CC[C@H]21 ZINC000884895785 1210803193 /nfs/dbraw/zinc/80/31/93/1210803193.db2.gz NJLXRUNAJTYVIJ-FGTMMUONSA-N 2 0 358.486 0.615 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884890123 1210803383 /nfs/dbraw/zinc/80/33/83/1210803383.db2.gz PZNMSZCNNRXFIK-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)C2)cc1 ZINC000884982844 1210806624 /nfs/dbraw/zinc/80/66/24/1210806624.db2.gz KQJWJNATYPGUEQ-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)C2)cc1 ZINC000884982839 1210806631 /nfs/dbraw/zinc/80/66/31/1210806631.db2.gz KQJWJNATYPGUEQ-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000884983278 1210807012 /nfs/dbraw/zinc/80/70/12/1210807012.db2.gz QAKJYPQIWKPKRQ-ROUUACIJSA-N 2 0 358.486 0.896 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141323 1210812182 /nfs/dbraw/zinc/81/21/82/1210812182.db2.gz LWYXMRHCZNGGRN-HOTGVXAUSA-N 2 0 366.506 0.062 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157304 1210813496 /nfs/dbraw/zinc/81/34/96/1210813496.db2.gz KOUSQKCSYSCAMP-ZWKOTPCHSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885154429 1210813521 /nfs/dbraw/zinc/81/35/21/1210813521.db2.gz WLMUQMCAPPJEQR-ZTFGCOKTSA-N 2 0 358.486 0.616 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885162627 1210813983 /nfs/dbraw/zinc/81/39/83/1210813983.db2.gz QJIOGLSDAJVHQD-QYZOEREBSA-N 2 0 370.497 0.760 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885161208 1210814257 /nfs/dbraw/zinc/81/42/57/1210814257.db2.gz CMAJMLROWYYRBJ-SFHVURJKSA-N 2 0 370.497 0.904 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000887091201 1210847074 /nfs/dbraw/zinc/84/70/74/1210847074.db2.gz DDBHCHVSKAPWDH-HZPDHXFCSA-N 2 0 359.474 0.849 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887091488 1210847121 /nfs/dbraw/zinc/84/71/21/1210847121.db2.gz MCZMFKHXCPYRTM-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C24CC[NH+](CC2)CC4)C3)CC1 ZINC001274006746 1210859611 /nfs/dbraw/zinc/85/96/11/1210859611.db2.gz XOHPSNXVHXEMFI-INIZCTEOSA-N 2 0 360.502 0.531 20 0 FCADRP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)C3(O)CC[NH+](C)CC3)(C1)CCC2 ZINC001274202581 1210910669 /nfs/dbraw/zinc/91/06/69/1210910669.db2.gz GLCPIXLWXZDPQP-ZWKOTPCHSA-N 2 0 369.506 0.615 20 0 FCADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000889754360 1210947085 /nfs/dbraw/zinc/94/70/85/1210947085.db2.gz OWWSIOOXYBQQDK-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890139620 1210968926 /nfs/dbraw/zinc/96/89/26/1210968926.db2.gz WSPIHJOLNBIVSJ-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001274419401 1211049814 /nfs/dbraw/zinc/04/98/14/1211049814.db2.gz SHVWUQTWFJKIAT-PXNSSMCTSA-N 2 0 362.518 0.731 20 0 FCADRP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCN(C)CC1 ZINC001274513391 1211071468 /nfs/dbraw/zinc/07/14/68/1211071468.db2.gz BOWZZRUAIFMPRE-YQQQUEKLSA-N 2 0 365.566 0.687 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)CC1 ZINC001274954212 1211152338 /nfs/dbraw/zinc/15/23/38/1211152338.db2.gz XZARRZKBFGASLC-INIZCTEOSA-N 2 0 360.502 0.626 20 0 FCADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068639 1211173702 /nfs/dbraw/zinc/17/37/02/1211173702.db2.gz JTKWMASBEHORPG-UYAOXDASSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCOC2)CC1 ZINC001275141521 1211178787 /nfs/dbraw/zinc/17/87/87/1211178787.db2.gz GMVBWWYWRWILGK-GUDVDZBRSA-N 2 0 364.534 0.726 20 0 FCADRP Cn1cccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275190168 1211194168 /nfs/dbraw/zinc/19/41/68/1211194168.db2.gz CHNPGLAMQOZCHV-IBGZPJMESA-N 2 0 357.458 0.973 20 0 FCADRP COc1cnccc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275372057 1211225473 /nfs/dbraw/zinc/22/54/73/1211225473.db2.gz UPEIBHTZDICAED-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP COc1cncc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001275423097 1211234058 /nfs/dbraw/zinc/23/40/58/1211234058.db2.gz HZXSGLTWCYAGSV-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555226 1211255977 /nfs/dbraw/zinc/25/59/77/1211255977.db2.gz PFMHLVXLBYMWME-IBGZPJMESA-N 2 0 361.490 0.565 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556726 1211256428 /nfs/dbraw/zinc/25/64/28/1211256428.db2.gz OWHNOKWKOCJNDT-APWZRJJASA-N 2 0 366.506 0.143 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)nc1 ZINC001275603800 1211263213 /nfs/dbraw/zinc/26/32/13/1211263213.db2.gz MQOUZIIQFBTUPO-LJQANCHMSA-N 2 0 360.458 0.854 20 0 FCADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221242968 1225279042 /nfs/dbraw/zinc/27/90/42/1225279042.db2.gz DATJFZQAVXKCSO-YZVOILCLSA-N 2 0 368.522 0.720 20 0 FCADRP NC(=O)CCCCCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737463 1211278944 /nfs/dbraw/zinc/27/89/44/1211278944.db2.gz KVTDVZLXMPABSZ-LJQANCHMSA-N 2 0 366.506 0.335 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC3(C2)CC[C@H](C(=O)NC2CC[NH+](C)CC2)O3)CC1 ZINC001275942008 1211313389 /nfs/dbraw/zinc/31/33/89/1211313389.db2.gz WGKXRAABNQVTSW-OAHLLOKOSA-N 2 0 364.490 0.051 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)n1 ZINC001095432189 1211335163 /nfs/dbraw/zinc/33/51/63/1211335163.db2.gz VWQWNDKGGIJQEY-NJAFHUGGSA-N 2 0 371.489 0.677 20 0 FCADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001221256748 1225282848 /nfs/dbraw/zinc/28/28/48/1225282848.db2.gz KTBJXQCYQMCVBE-HOTGVXAUSA-N 2 0 367.494 0.506 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221275350 1225287419 /nfs/dbraw/zinc/28/74/19/1225287419.db2.gz AYCNAYOECIHHMA-ROUUACIJSA-N 2 0 370.497 0.535 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)O1 ZINC001095611410 1211426529 /nfs/dbraw/zinc/42/65/29/1211426529.db2.gz PVFLKRBOALWSAK-FWEDZOCSSA-N 2 0 361.490 0.403 20 0 FCADRP O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221275352 1225287653 /nfs/dbraw/zinc/28/76/53/1225287653.db2.gz AYCNAYOECIHHMA-ZWKOTPCHSA-N 2 0 370.497 0.535 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592030 1211438652 /nfs/dbraw/zinc/43/86/52/1211438652.db2.gz BOKGIJDNSIRDHU-KXBFYZLASA-N 2 0 361.490 0.973 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925634593 1211505657 /nfs/dbraw/zinc/50/56/57/1211505657.db2.gz OTOIBTTWTUGOED-SIRBJWHBSA-N 2 0 356.514 0.862 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000927884053 1211589957 /nfs/dbraw/zinc/58/99/57/1211589957.db2.gz UGGFZPMUIRAYES-OAHLLOKOSA-N 2 0 359.474 0.574 20 0 FCADRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350516 1225301952 /nfs/dbraw/zinc/30/19/52/1225301952.db2.gz TWGWQSWVVVMKIS-IHRRRGAJSA-N 2 0 372.510 0.397 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961684 1211617720 /nfs/dbraw/zinc/61/77/20/1211617720.db2.gz DTYQCSMRIRQMLE-VQHPVUNQSA-N 2 0 368.522 0.591 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001221366035 1225303006 /nfs/dbraw/zinc/30/30/06/1225303006.db2.gz KXBDPZNUHRRSBS-ZTFGCOKTSA-N 2 0 359.449 0.930 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404060 1225307138 /nfs/dbraw/zinc/30/71/38/1225307138.db2.gz GISHEMDJIOKWEG-IAGOWNOFSA-N 3 0 362.474 0.264 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000930719356 1211719604 /nfs/dbraw/zinc/71/96/04/1211719604.db2.gz ASUIMRBBELQRMR-KRWDZBQOSA-N 2 0 359.474 0.897 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931487899 1211757882 /nfs/dbraw/zinc/75/78/82/1211757882.db2.gz KNKHVEVAJZJSFR-MRXNPFEDSA-N 2 0 366.458 0.601 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000931606313 1211762866 /nfs/dbraw/zinc/76/28/66/1211762866.db2.gz CJQQMCJJNCQINO-UHFFFAOYSA-N 2 0 361.490 0.954 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCCO1 ZINC001111169413 1211910067 /nfs/dbraw/zinc/91/00/67/1211910067.db2.gz SESVAJCEBYRWJC-TWMKSMIVSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2 ZINC001095772607 1211986605 /nfs/dbraw/zinc/98/66/05/1211986605.db2.gz XEHNTUVFBUVIRT-JWDQPFGJSA-N 2 0 359.474 0.747 20 0 FCADRP COc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001111277479 1212204324 /nfs/dbraw/zinc/20/43/24/1212204324.db2.gz UGGCCTZRNKDGFK-ZACQAIPSSA-N 2 0 362.474 0.890 20 0 FCADRP CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098886 1212291488 /nfs/dbraw/zinc/29/14/88/1212291488.db2.gz JUKVTUMIBYNHQW-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001007853306 1212592223 /nfs/dbraw/zinc/59/22/23/1212592223.db2.gz UNRHIXCOWTWQDM-YRNRMSPPSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3cnc(F)cn3)CC2)CC[N@@H+]1C ZINC001111323526 1212643122 /nfs/dbraw/zinc/64/31/22/1212643122.db2.gz HFQMRIXFFFBXDO-UKRRQHHQSA-N 2 0 364.469 0.948 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC000950786343 1212670356 /nfs/dbraw/zinc/67/03/56/1212670356.db2.gz TVVOKIJZXLCCTB-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000950805871 1212681781 /nfs/dbraw/zinc/68/17/81/1212681781.db2.gz ZKCLTLPEEOFPBR-FHLIZLRMSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001009120497 1212807204 /nfs/dbraw/zinc/80/72/04/1212807204.db2.gz RBFLXCHKOYEXOH-FGTAOJJYSA-N 2 0 362.518 0.632 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954649683 1213097516 /nfs/dbraw/zinc/09/75/16/1213097516.db2.gz RVESJSULIAFGRA-DJIMGWMZSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@@H+]1C ZINC000954774936 1213110001 /nfs/dbraw/zinc/11/00/01/1213110001.db2.gz VIRHMSDKRROIGI-CXAGYDPISA-N 2 0 355.442 0.957 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CCc3nccn3C)C2)CC[N@@H+]1C ZINC000957012586 1213230741 /nfs/dbraw/zinc/23/07/41/1213230741.db2.gz KTBWGDKAASBNCZ-CLCXKQKWSA-N 2 0 361.490 0.800 20 0 FCADRP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701527 1225448629 /nfs/dbraw/zinc/44/86/29/1225448629.db2.gz SNSQCNKXXOQFKC-MOXMWUHRSA-N 2 0 363.502 0.807 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC000958860429 1213443600 /nfs/dbraw/zinc/44/36/00/1213443600.db2.gz QENNKHJGUFQROA-QEOTZNIISA-N 2 0 368.522 0.087 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21)[NH+](C)C ZINC000960569942 1213824393 /nfs/dbraw/zinc/82/43/93/1213824393.db2.gz SBSBKJSKJNHIKL-OWCLPIDISA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)CC[N@@H+]1C ZINC001011208242 1213847884 /nfs/dbraw/zinc/84/78/84/1213847884.db2.gz OSZLMZAZMAZYES-RHSMWYFYSA-N 2 0 355.442 0.959 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@@H+]1C ZINC001014477652 1213964039 /nfs/dbraw/zinc/96/40/39/1213964039.db2.gz YCWCEGXGBIUAKY-VNQPRFMTSA-N 2 0 356.474 0.999 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960968413 1214043791 /nfs/dbraw/zinc/04/37/91/1214043791.db2.gz IFJSPVHMZAQLIZ-LUKYLMHMSA-N 2 0 366.506 0.249 20 0 FCADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276825592 1225502227 /nfs/dbraw/zinc/50/22/27/1225502227.db2.gz VTVKEDWGBFDPDL-QRVBRYPASA-N 2 0 366.550 0.706 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001017547571 1214116762 /nfs/dbraw/zinc/11/67/62/1214116762.db2.gz NARSTADNLYZONU-CRAIPNDOSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001017564724 1214118366 /nfs/dbraw/zinc/11/83/66/1214118366.db2.gz QXTLJTVUQXMYFF-FTWQHDNSSA-N 2 0 365.518 0.789 20 0 FCADRP COCCCC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276370378 1214159732 /nfs/dbraw/zinc/15/97/32/1214159732.db2.gz ZGQNZAHRNLIQFF-FQEVSTJZSA-N 2 0 366.550 0.975 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419660370 1214247876 /nfs/dbraw/zinc/24/78/76/1214247876.db2.gz BTBKPKJXXPZFKB-HXUWFJFHSA-N 2 0 371.485 0.769 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@@H]3C2)CC[NH+]1C ZINC000961665528 1214261851 /nfs/dbraw/zinc/26/18/51/1214261851.db2.gz WRTQGSWHMSUMQD-IGKNDFSCSA-N 2 0 362.518 0.585 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccc(F)cc1 ZINC000419756964 1214288043 /nfs/dbraw/zinc/28/80/43/1214288043.db2.gz HECMJFJVDRGZNY-IBGZPJMESA-N 2 0 362.449 0.728 20 0 FCADRP CCCCn1nnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000961857508 1214336656 /nfs/dbraw/zinc/33/66/56/1214336656.db2.gz VJKQHFVAYGHTQZ-PRLABOORSA-N 2 0 363.510 0.798 20 0 FCADRP CCCn1nnnc1C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000961855078 1214336835 /nfs/dbraw/zinc/33/68/35/1214336835.db2.gz KVUCZSZLXYSJKE-SSHXOBKSSA-N 2 0 363.510 0.798 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039867296 1214452187 /nfs/dbraw/zinc/45/21/87/1214452187.db2.gz GOSPVLUYXYKXQU-CLCXKQKWSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)CC2 ZINC001095934500 1214459186 /nfs/dbraw/zinc/45/91/86/1214459186.db2.gz QLCMNOVUCSGWRL-LMSBXDPUSA-N 2 0 369.473 0.767 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001040450362 1214510928 /nfs/dbraw/zinc/51/09/28/1214510928.db2.gz PGMRKKNQPNGNDO-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001040707774 1214570756 /nfs/dbraw/zinc/57/07/56/1214570756.db2.gz IFOGDTLWLGIOLD-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC000963812368 1214856112 /nfs/dbraw/zinc/85/61/12/1214856112.db2.gz WBICKFOBAQDCOF-OAGGEKHMSA-N 2 0 368.522 0.279 20 0 FCADRP C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)c1nnnn1C ZINC000963830985 1214860811 /nfs/dbraw/zinc/86/08/11/1214860811.db2.gz WCVIQEAOQPLQGD-MQCXNYSVSA-N 2 0 361.494 0.628 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCOCC3CC3)C[C@H]21 ZINC001222017891 1225577646 /nfs/dbraw/zinc/57/76/46/1225577646.db2.gz AWOWWGZCFQZHBJ-QXAKKESOSA-N 2 0 365.518 0.914 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042574 1225587994 /nfs/dbraw/zinc/58/79/94/1225587994.db2.gz GLHUUEJFTAKNQI-CEXWTWQISA-N 2 0 361.486 0.902 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000968163939 1215292694 /nfs/dbraw/zinc/29/26/94/1215292694.db2.gz IZSXIHDUUZJCSY-DLBZAZTESA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055643135 1215894415 /nfs/dbraw/zinc/89/44/15/1215894415.db2.gz WTLSNZDAJJYMNZ-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055645929 1215896353 /nfs/dbraw/zinc/89/63/53/1215896353.db2.gz MGICRPGNIFVXNO-PVAVHDDUSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001055646825 1215897427 /nfs/dbraw/zinc/89/74/27/1215897427.db2.gz GHCQOFMDUHHMEX-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1)[NH+](C)C ZINC001055651609 1215899176 /nfs/dbraw/zinc/89/91/76/1215899176.db2.gz SQTILYLXWDWYJW-DJIMGWMZSA-N 2 0 368.522 0.591 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967946 1215930168 /nfs/dbraw/zinc/93/01/68/1215930168.db2.gz WHDVKSNVUAISGL-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000476829 1216068805 /nfs/dbraw/zinc/06/88/05/1216068805.db2.gz MTNLWONLHIYSEZ-YVSFHVDLSA-N 2 0 360.502 0.672 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001000696611 1216106689 /nfs/dbraw/zinc/10/66/89/1216106689.db2.gz PYVOHCMNWDOWDJ-DLBZAZTESA-N 2 0 363.506 0.490 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001000700428 1216107856 /nfs/dbraw/zinc/10/78/56/1216107856.db2.gz QFMIQFPGQMKFBJ-BPQIPLTHSA-N 2 0 361.490 0.333 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841923 1225656476 /nfs/dbraw/zinc/65/64/76/1225656476.db2.gz GLUXUSYRGNHLQO-KDOFPFPSSA-N 2 0 361.446 0.632 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068406508 1216733131 /nfs/dbraw/zinc/73/31/31/1216733131.db2.gz WCAQCJAQYFIVJU-HZPDHXFCSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)CCC[NH+](C)C)CCO3)CC[N@@H+]1C ZINC001068445631 1216737958 /nfs/dbraw/zinc/73/79/58/1216737958.db2.gz IPCWIIFFKXSDLL-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CC(=O)[C@H](C)[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276901789 1225717996 /nfs/dbraw/zinc/71/79/96/1225717996.db2.gz SKKYDKSHBBWJQZ-KRWDZBQOSA-N 2 0 364.534 0.916 20 0 FCADRP CC(=O)[C@@H](C)[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276901790 1225718038 /nfs/dbraw/zinc/71/80/38/1225718038.db2.gz SKKYDKSHBBWJQZ-QGZVFWFLSA-N 2 0 364.534 0.916 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912419 1225745298 /nfs/dbraw/zinc/74/52/98/1225745298.db2.gz SZHPWZZNXFYDBF-SJORKVTESA-N 2 0 362.518 0.872 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130563 1225759447 /nfs/dbraw/zinc/75/94/47/1225759447.db2.gz QKUNSINIMWILOK-MSOLQXFVSA-N 2 0 366.506 0.158 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1=O ZINC001095962777 1217780950 /nfs/dbraw/zinc/78/09/50/1217780950.db2.gz FJQNLBYFACBFOH-SQNIBIBYSA-N 2 0 358.486 0.949 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001095964961 1217789217 /nfs/dbraw/zinc/78/92/17/1217789217.db2.gz IOWIPMNINMVDDD-PMPSAXMXSA-N 2 0 362.474 0.199 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC001045673125 1217947266 /nfs/dbraw/zinc/94/72/66/1217947266.db2.gz ZKSHOTQTOHVAHU-OWCLPIDISA-N 2 0 366.506 0.189 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000900056929 1217958332 /nfs/dbraw/zinc/95/83/32/1217958332.db2.gz AOORJTQYNYWLDO-PXNSSMCTSA-N 2 0 374.485 0.661 20 0 FCADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900804849 1218039057 /nfs/dbraw/zinc/03/90/57/1218039057.db2.gz NRFRMPXJXLYPJJ-QUCCMNQESA-N 2 0 373.545 0.949 20 0 FCADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900804851 1218039546 /nfs/dbraw/zinc/03/95/46/1218039546.db2.gz NRFRMPXJXLYPJJ-UYAOXDASSA-N 2 0 373.545 0.949 20 0 FCADRP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000900899994 1218050640 /nfs/dbraw/zinc/05/06/40/1218050640.db2.gz UWHVGURJJGPRAD-NRFANRHFSA-N 2 0 373.497 0.850 20 0 FCADRP CC[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)CC1 ZINC000902296416 1218241720 /nfs/dbraw/zinc/24/17/20/1218241720.db2.gz JJGSGJKTDMTCFD-INIZCTEOSA-N 2 0 362.430 0.925 20 0 FCADRP CC[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)CC1 ZINC000902296418 1218241824 /nfs/dbraw/zinc/24/18/24/1218241824.db2.gz JJGSGJKTDMTCFD-MRXNPFEDSA-N 2 0 362.430 0.925 20 0 FCADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048825257 1218321702 /nfs/dbraw/zinc/32/17/02/1218321702.db2.gz NMWTVCLJLBKKTM-HCXYKTFWSA-N 2 0 365.518 0.770 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829094 1218322446 /nfs/dbraw/zinc/32/24/46/1218322446.db2.gz HBLFHXCOVAZXTP-ZJPYXAASSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001049349530 1218424349 /nfs/dbraw/zinc/42/43/49/1218424349.db2.gz TVSXCTFLDFQKDA-YVSFHVDLSA-N 2 0 368.522 0.089 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757137 1218517275 /nfs/dbraw/zinc/51/72/75/1218517275.db2.gz YIZCXVRKFSQMJG-IIDMSEBBSA-N 2 0 357.462 0.403 20 0 FCADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793973 1218528675 /nfs/dbraw/zinc/52/86/75/1218528675.db2.gz LPFWYQNNQQECKD-OAHLLOKOSA-N 2 0 362.474 0.840 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225961099 1225829365 /nfs/dbraw/zinc/82/93/65/1225829365.db2.gz LDQGMRHDXGVFIZ-HZPDHXFCSA-N 2 0 365.478 0.512 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226824099 1225855113 /nfs/dbraw/zinc/85/51/13/1225855113.db2.gz KNEUAJJIRFJJDZ-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226890804 1225856895 /nfs/dbraw/zinc/85/68/95/1225856895.db2.gz OSXALJDPHVGYAJ-RBSFLKMASA-N 2 0 367.494 0.333 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001226904194 1225857834 /nfs/dbraw/zinc/85/78/34/1225857834.db2.gz OICVXLBUGSWAAF-RCCFBDPRSA-N 3 0 368.570 0.003 20 0 FCADRP Cn1ncc2c1ncnc2N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055510559 1219062523 /nfs/dbraw/zinc/06/25/23/1219062523.db2.gz ZFECEWIIBQNCDC-RFUYNDQBSA-N 2 0 369.473 0.933 20 0 FCADRP CC[C@@H](OC)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583611 1219088666 /nfs/dbraw/zinc/08/86/66/1219088666.db2.gz VBYGKLHCJQNRKH-DJIMGWMZSA-N 2 0 368.522 0.448 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055606566 1219097632 /nfs/dbraw/zinc/09/76/32/1219097632.db2.gz IEAWPSQCSOAFCE-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000804058933 1219111625 /nfs/dbraw/zinc/11/16/25/1219111625.db2.gz GYWYMNXUQWIJDH-IXDOHACOSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804059676 1219113753 /nfs/dbraw/zinc/11/37/53/1219113753.db2.gz JRSASMHRRDQKBL-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804059678 1219113831 /nfs/dbraw/zinc/11/38/31/1219113831.db2.gz JRSASMHRRDQKBL-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804059712 1219115214 /nfs/dbraw/zinc/11/52/14/1219115214.db2.gz JYZBCFNQMOUFFB-GVDBMIGSSA-N 2 0 364.490 0.053 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001227437857 1225874998 /nfs/dbraw/zinc/87/49/98/1225874998.db2.gz NBTADVSJSMANMZ-HZPDHXFCSA-N 2 0 370.457 0.986 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCC[NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC001070133864 1219209550 /nfs/dbraw/zinc/20/95/50/1219209550.db2.gz RWXCQRLDYZSCDM-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196528 1219287957 /nfs/dbraw/zinc/28/79/57/1219287957.db2.gz CJNFLFXJHNWUTO-DDBAPUKQSA-N 2 0 369.473 0.555 20 0 FCADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209022 1219294757 /nfs/dbraw/zinc/29/47/57/1219294757.db2.gz JAVPEPPHIKJYST-ZACQAIPSSA-N 2 0 364.469 0.996 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217898 1219300104 /nfs/dbraw/zinc/30/01/04/1219300104.db2.gz XQCMZNDMMZFHRK-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1n1ccnn1 ZINC001070231682 1219309157 /nfs/dbraw/zinc/30/91/57/1219309157.db2.gz FTSPXTZZNXGWGQ-SJORKVTESA-N 2 0 366.429 0.924 20 0 FCADRP O=C(Cc1cnc[nH]1)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070284376 1219348141 /nfs/dbraw/zinc/34/81/41/1219348141.db2.gz AFSQEYFACPPBRK-OAGGEKHMSA-N 2 0 359.434 0.155 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070327730 1219378400 /nfs/dbraw/zinc/37/84/00/1219378400.db2.gz DQZSHFAJPOKEQQ-MSOLQXFVSA-N 2 0 354.458 0.916 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[nH]1 ZINC001070354355 1219391127 /nfs/dbraw/zinc/39/11/27/1219391127.db2.gz FSPWQRDUANKKNO-XQLPTFJDSA-N 2 0 364.494 0.633 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070357226 1219393836 /nfs/dbraw/zinc/39/38/36/1219393836.db2.gz BUSOWZJKHCOXHP-KBPBESRZSA-N 2 0 362.478 0.387 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC3CC3)CC2)C1 ZINC001070382928 1219407690 /nfs/dbraw/zinc/40/76/90/1219407690.db2.gz ZPDSOORISBJRIZ-LMMKCTJWSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070499187 1219440759 /nfs/dbraw/zinc/44/07/59/1219440759.db2.gz GFWHPJPUVRSOCQ-XYJFISCASA-N 2 0 363.506 0.274 20 0 FCADRP CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)[NH+](CCO)C1 ZINC001070596684 1219481764 /nfs/dbraw/zinc/48/17/64/1219481764.db2.gz UEVXWEHEEUVONF-FXUDXRNXSA-N 2 0 365.478 0.243 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)cn1 ZINC001277277142 1225899005 /nfs/dbraw/zinc/89/90/05/1225899005.db2.gz RWOOFRNYTFWZGR-IAGOWNOFSA-N 2 0 360.458 0.995 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070718584 1219541003 /nfs/dbraw/zinc/54/10/03/1219541003.db2.gz BEWDGBXDOGHXGA-QZTJIDSGSA-N 2 0 368.485 0.995 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719270 1219541420 /nfs/dbraw/zinc/54/14/20/1219541420.db2.gz WPBUUAWAZDXXAZ-GVDBMIGSSA-N 2 0 371.489 0.190 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913192 1219565892 /nfs/dbraw/zinc/56/58/92/1219565892.db2.gz DWNOJGGKMPTCSA-ZACQAIPSSA-N 2 0 364.490 0.985 20 0 FCADRP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924336 1219581937 /nfs/dbraw/zinc/58/19/37/1219581937.db2.gz KYULFKFFDRLBPQ-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001071069145 1219599810 /nfs/dbraw/zinc/59/98/10/1219599810.db2.gz VUKFALYXLGUUQP-AEFFLSMTSA-N 2 0 371.441 0.419 20 0 FCADRP COCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746503 1219620650 /nfs/dbraw/zinc/62/06/50/1219620650.db2.gz QPJZQMGOQTYZIU-MSOLQXFVSA-N 2 0 365.518 0.914 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342275 1225912264 /nfs/dbraw/zinc/91/22/64/1225912264.db2.gz WRBAPYKNMPZTGW-NWANDNLSSA-N 2 0 367.494 0.189 20 0 FCADRP C[C@@H]1CN(C(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001098401723 1219774249 /nfs/dbraw/zinc/77/42/49/1219774249.db2.gz LVUILDJEEDMUKN-VQHPVUNQSA-N 2 0 364.490 0.051 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001099026943 1219892823 /nfs/dbraw/zinc/89/28/23/1219892823.db2.gz ILHHYQWCIPKKRO-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099118840 1219920540 /nfs/dbraw/zinc/92/05/40/1219920540.db2.gz DMLJAZIRIJPTOG-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H](C2CC2)[NH+](C)C)C3)nn1 ZINC001099446044 1219999050 /nfs/dbraw/zinc/99/90/50/1219999050.db2.gz HQYXEWRJBUFDCY-IEZWGBDMSA-N 2 0 360.506 0.874 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001099488149 1220012716 /nfs/dbraw/zinc/01/27/16/1220012716.db2.gz MWSLPGJJBHQLPR-YJBOKZPZSA-N 2 0 361.494 0.270 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnn(C)n3)C2)C1 ZINC001099500564 1220016414 /nfs/dbraw/zinc/01/64/14/1220016414.db2.gz WAAHVEOYNGDRTE-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001099527370 1220024078 /nfs/dbraw/zinc/02/40/78/1220024078.db2.gz WHVHUUYZOHAMSQ-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243690 1220242191 /nfs/dbraw/zinc/24/21/91/1220242191.db2.gz YZTWTPXMUUSKSH-OYRIPWCXSA-N 2 0 362.518 0.633 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243481 1220242750 /nfs/dbraw/zinc/24/27/50/1220242750.db2.gz HAGYNYBAXVCDNG-VIPLHTEESA-N 2 0 364.534 0.974 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290393 1220270450 /nfs/dbraw/zinc/27/04/50/1220270450.db2.gz NYNQIRYONPCMBS-APWZRJJASA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CCCC1 ZINC001101314226 1220282453 /nfs/dbraw/zinc/28/24/53/1220282453.db2.gz WLXXBJILSBAYCI-MDZRGWNJSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101365759 1220304327 /nfs/dbraw/zinc/30/43/27/1220304327.db2.gz IHFMDVWVUHUVPD-GJYPPUQNSA-N 2 0 367.538 0.815 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418578 1220332820 /nfs/dbraw/zinc/33/28/20/1220332820.db2.gz YWDXDRSGAKQTCO-LMMKCTJWSA-N 2 0 371.522 0.132 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431407 1220340864 /nfs/dbraw/zinc/34/08/64/1220340864.db2.gz NDXSIGBHAKHTAY-APWZRJJASA-N 2 0 362.518 0.779 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432330 1220341155 /nfs/dbraw/zinc/34/11/55/1220341155.db2.gz MJBOGPITQLGWAC-APWZRJJASA-N 2 0 363.506 0.321 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440505 1220346971 /nfs/dbraw/zinc/34/69/71/1220346971.db2.gz OLNGVRWBASJZCO-LMMKCTJWSA-N 2 0 363.506 0.366 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443495 1220347822 /nfs/dbraw/zinc/34/78/22/1220347822.db2.gz HSPHNODFJKIICU-AOIWGVFYSA-N 2 0 371.522 0.132 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001101473334 1220365383 /nfs/dbraw/zinc/36/53/83/1220365383.db2.gz QMKZSMMMZGVDSP-XLIONFOSSA-N 2 0 362.518 0.875 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476121 1220366907 /nfs/dbraw/zinc/36/69/07/1220366907.db2.gz CTBRDUUNEZJJGK-LMMKCTJWSA-N 2 0 363.506 0.365 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477465 1220367736 /nfs/dbraw/zinc/36/77/36/1220367736.db2.gz WEEJVRCDSKPTQC-APWZRJJASA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102016015 1220463666 /nfs/dbraw/zinc/46/36/66/1220463666.db2.gz YJEARYABSHFVFP-OIISXLGYSA-N 2 0 370.513 0.877 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071563 1220485867 /nfs/dbraw/zinc/48/58/67/1220485867.db2.gz OTFVKMCERCJEJS-NXHRZFHOSA-N 2 0 370.538 0.409 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091029 1220492923 /nfs/dbraw/zinc/49/29/23/1220492923.db2.gz OLFSDAAHFCORGB-BRWVUGGUSA-N 2 0 367.538 0.862 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101097 1220496264 /nfs/dbraw/zinc/49/62/64/1220496264.db2.gz MSNALELEEDFEOF-MGPQQGTHSA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286867 1220574490 /nfs/dbraw/zinc/57/44/90/1220574490.db2.gz AOLOCDIJIBUZBU-NVXWUHKLSA-N 2 0 360.502 0.911 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330143 1220583888 /nfs/dbraw/zinc/58/38/88/1220583888.db2.gz FCWQVNMWLVDGIL-IIAWOOMASA-N 2 0 369.510 0.102 20 0 FCADRP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320923 1220584269 /nfs/dbraw/zinc/58/42/69/1220584269.db2.gz ZJYNAZDNYGXEFT-IAGOWNOFSA-N 2 0 370.538 0.554 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330079 1220585166 /nfs/dbraw/zinc/58/51/66/1220585166.db2.gz ASFSUHWTYWZRPD-JFIYKMOQSA-N 2 0 370.538 0.409 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001102356507 1220590122 /nfs/dbraw/zinc/59/01/22/1220590122.db2.gz MVNDUPFDDHWZAK-KFWWJZLASA-N 2 0 366.510 0.413 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370360 1220596302 /nfs/dbraw/zinc/59/63/02/1220596302.db2.gz YBXVEPVLFOYHRO-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369660 1220597276 /nfs/dbraw/zinc/59/72/76/1220597276.db2.gz BWSAJFPAPOCIMJ-JFIYKMOQSA-N 2 0 360.502 0.911 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102475156 1220644626 /nfs/dbraw/zinc/64/46/26/1220644626.db2.gz ADJLVQQAGYBCKQ-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520527 1220678918 /nfs/dbraw/zinc/67/89/18/1220678918.db2.gz OEUFEQGUHSNFIO-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524611 1220680532 /nfs/dbraw/zinc/68/05/32/1220680532.db2.gz NUPXOFJMPXFSPV-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578037 1220700898 /nfs/dbraw/zinc/70/08/98/1220700898.db2.gz ILBJHHLNJFNHGB-BZUAXINKSA-N 2 0 362.474 0.532 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102600995 1220723100 /nfs/dbraw/zinc/72/31/00/1220723100.db2.gz GHDGUPLFWGDXFV-IXDOHACOSA-N 2 0 368.522 0.163 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001229229511 1225991190 /nfs/dbraw/zinc/99/11/90/1225991190.db2.gz BBDYMZJBKKQEGP-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103087419 1220830980 /nfs/dbraw/zinc/83/09/80/1220830980.db2.gz GZOSNBJWCZXDSM-OIISXLGYSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001103141427 1220839805 /nfs/dbraw/zinc/83/98/05/1220839805.db2.gz FIAZXTNYTFSFJY-ZACQAIPSSA-N 2 0 362.518 0.825 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103156632 1220841717 /nfs/dbraw/zinc/84/17/17/1220841717.db2.gz OQENJCLAIJQYOS-ZIAGYGMSSA-N 2 0 366.510 0.413 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249419 1220856514 /nfs/dbraw/zinc/85/65/14/1220856514.db2.gz HFVIXBVOWJCMKZ-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434010 1220882314 /nfs/dbraw/zinc/88/23/14/1220882314.db2.gz QWPXLIMMYCHSES-IXDOHACOSA-N 2 0 365.522 0.570 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103630522 1220920716 /nfs/dbraw/zinc/92/07/16/1220920716.db2.gz UUKRZWQOPSJCEP-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103662568 1220932873 /nfs/dbraw/zinc/93/28/73/1220932873.db2.gz BUTMGMVNRZGXBX-IAGOWNOFSA-N 2 0 367.538 0.818 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723711 1220952577 /nfs/dbraw/zinc/95/25/77/1220952577.db2.gz YQVMKAIVODSWKG-BRWVUGGUSA-N 2 0 360.506 0.935 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723712 1220953115 /nfs/dbraw/zinc/95/31/15/1220953115.db2.gz YQVMKAIVODSWKG-ZACQAIPSSA-N 2 0 360.506 0.935 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724632 1220954316 /nfs/dbraw/zinc/95/43/16/1220954316.db2.gz MZXGEBREFIGPRX-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COC2CC[NH+](C)CC2)[nH]1 ZINC001229389178 1226008916 /nfs/dbraw/zinc/00/89/16/1226008916.db2.gz KNVJQOBLGVMRPJ-HZPDHXFCSA-N 2 0 364.494 0.741 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104202563 1221020705 /nfs/dbraw/zinc/02/07/05/1221020705.db2.gz GLEKCBQXKXJBQV-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001104211228 1221022121 /nfs/dbraw/zinc/02/21/21/1221022121.db2.gz YRVVXHFOZAYSKM-KBUPBQIOSA-N 2 0 364.494 0.023 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001229389174 1226008463 /nfs/dbraw/zinc/00/84/63/1226008463.db2.gz KNUKQQPZULXFMT-BRWVUGGUSA-N 2 0 366.506 0.345 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001229523298 1226016150 /nfs/dbraw/zinc/01/61/50/1226016150.db2.gz FOUXUHLDZIVNSF-GVDBMIGSSA-N 2 0 368.522 0.593 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916573 1221167043 /nfs/dbraw/zinc/16/70/43/1221167043.db2.gz AXBORISANDMHOT-FCEWJHQRSA-N 2 0 369.506 0.075 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939906 1221179652 /nfs/dbraw/zinc/17/96/52/1221179652.db2.gz ZLYAZSGSMZYHDV-GJYPPUQNSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN([C@H](C)c1nnnn1C)C2 ZINC001111950832 1221182554 /nfs/dbraw/zinc/18/25/54/1221182554.db2.gz CRXWPNBHSUETKK-VKJFTORMSA-N 2 0 363.510 0.974 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009832 1221199871 /nfs/dbraw/zinc/19/98/71/1221199871.db2.gz WCRWPFKUDPMABJ-DEYYWGMASA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112018623 1221202080 /nfs/dbraw/zinc/20/20/80/1221202080.db2.gz IBHKAGISDCKIMP-KNBMTAEXSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001112021245 1221203252 /nfs/dbraw/zinc/20/32/52/1221203252.db2.gz BMCSTWRZJXCOEG-FCEWJHQRSA-N 2 0 359.474 0.913 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112428073 1221257737 /nfs/dbraw/zinc/25/77/37/1221257737.db2.gz AIISVMGHTCYUOY-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229692262 1226027911 /nfs/dbraw/zinc/02/79/11/1226027911.db2.gz FWHAFGPPGGDHMV-GVDBMIGSSA-N 2 0 370.538 0.742 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001229715963 1226030437 /nfs/dbraw/zinc/03/04/37/1226030437.db2.gz DPTGWAWSBPIKDJ-KZNAEPCWSA-N 2 0 371.522 0.777 20 0 FCADRP O=C1N[C@H]2CC[NH+](C/C=C/C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179336 1221304420 /nfs/dbraw/zinc/30/44/20/1221304420.db2.gz IMCFPHCXMLWFJP-ACUIUQEKSA-N 2 0 364.446 0.403 20 0 FCADRP CC(C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799181051 1221304877 /nfs/dbraw/zinc/30/48/77/1221304877.db2.gz VRKHGIMLLUEVCY-WCVJEAGWSA-N 2 0 366.462 0.483 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229808167 1226036205 /nfs/dbraw/zinc/03/62/05/1226036205.db2.gz OACYRSUCOMSQNG-KZNAEPCWSA-N 2 0 365.522 0.993 20 0 FCADRP Cc1cc(CNC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)no1 ZINC001117032543 1221438640 /nfs/dbraw/zinc/43/86/40/1221438640.db2.gz ZOWQHAWEDWLCQS-UHFFFAOYSA-N 2 0 363.462 0.274 20 0 FCADRP CCN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001117180426 1221491657 /nfs/dbraw/zinc/49/16/57/1221491657.db2.gz LELOCUNZCADTJS-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001230138676 1226056421 /nfs/dbraw/zinc/05/64/21/1226056421.db2.gz QEVDVUDNJYBGGW-RBSFLKMASA-N 2 0 363.462 0.890 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001230149391 1226057938 /nfs/dbraw/zinc/05/79/38/1226057938.db2.gz HQAOJPCUJRWTNH-KBAYOESNSA-N 2 0 363.506 0.905 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1F ZINC001118057118 1221701534 /nfs/dbraw/zinc/70/15/34/1221701534.db2.gz AKBQCIZCYOCLEW-QILLFSRXSA-N 2 0 374.460 0.776 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001230284570 1226071338 /nfs/dbraw/zinc/07/13/38/1226071338.db2.gz LJJLRYKNGPHUOI-BRWVUGGUSA-N 2 0 368.522 0.639 20 0 FCADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118572872 1221802391 /nfs/dbraw/zinc/80/23/91/1221802391.db2.gz XRVYCBFEXSVMDH-CQSZACIVSA-N 2 0 358.450 0.966 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001118921817 1221844802 /nfs/dbraw/zinc/84/48/02/1221844802.db2.gz FYMSLRRDHJJYCF-TVFCKZIOSA-N 2 0 364.534 0.925 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC001119300873 1221898533 /nfs/dbraw/zinc/89/85/33/1221898533.db2.gz JKKUYZKFLCXFMW-HUUCEWRRSA-N 3 0 363.510 0.014 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001119343651 1221901984 /nfs/dbraw/zinc/90/19/84/1221901984.db2.gz KTRXMIRCWWFUFG-MRXNPFEDSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119354376 1221904470 /nfs/dbraw/zinc/90/44/70/1221904470.db2.gz HJCOHHFEXNKJMT-MRXNPFEDSA-N 2 0 364.490 0.004 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001119362802 1221906540 /nfs/dbraw/zinc/90/65/40/1221906540.db2.gz PKVVELYAZUHAPL-JFIYKMOQSA-N 2 0 360.502 0.985 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC001119402102 1221911800 /nfs/dbraw/zinc/91/18/00/1221911800.db2.gz MWRRZZSSJJUONF-YJBOKZPZSA-N 2 0 358.486 0.808 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001119425372 1221916133 /nfs/dbraw/zinc/91/61/33/1221916133.db2.gz UOOORBUPBILARG-SFHVURJKSA-N 2 0 367.538 0.553 20 0 FCADRP C([NH+]1CC[C@@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913799 1221998867 /nfs/dbraw/zinc/99/88/67/1221998867.db2.gz UHGZCKZVYTWZHN-HZPDHXFCSA-N 2 0 368.474 0.393 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001120643230 1222110906 /nfs/dbraw/zinc/11/09/06/1222110906.db2.gz YRUYGQPDGAGGGY-GVDBMIGSSA-N 2 0 366.506 0.386 20 0 FCADRP COc1nn(C)cc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120668744 1222112758 /nfs/dbraw/zinc/11/27/58/1222112758.db2.gz MHEHVWBVARHPCA-IYBDPMFKSA-N 2 0 362.478 0.539 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001120702532 1222115372 /nfs/dbraw/zinc/11/53/72/1222115372.db2.gz FOFVKEPXFZOGOD-INIZCTEOSA-N 2 0 364.494 0.620 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC001121044561 1222142459 /nfs/dbraw/zinc/14/24/59/1222142459.db2.gz GRPMBGKTDRDDCF-UHFFFAOYSA-N 2 0 359.434 0.161 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001121928314 1222225055 /nfs/dbraw/zinc/22/50/55/1222225055.db2.gz MPVSZAKTELRDKD-QRWLVFNGSA-N 2 0 360.502 0.795 20 0 FCADRP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122079917 1222239400 /nfs/dbraw/zinc/23/94/00/1222239400.db2.gz UKPPVKGFVVHMPM-OTWHNJEPSA-N 2 0 355.438 0.584 20 0 FCADRP CC1CC[NH+](CC(=O)NC[C@H](C[NH3+])NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001122136561 1222243084 /nfs/dbraw/zinc/24/30/84/1222243084.db2.gz MWMFOUCFLBISHV-KRWDZBQOSA-N 3 0 367.538 0.010 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513294 1222336579 /nfs/dbraw/zinc/33/65/79/1222336579.db2.gz WRABSNRJTUPXMN-APWZRJJASA-N 2 0 357.502 0.761 20 0 FCADRP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001123696008 1222351076 /nfs/dbraw/zinc/35/10/76/1222351076.db2.gz YYZQKDCRTGEDDT-BQFCYCMXSA-N 2 0 360.506 0.936 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC001123775321 1222355762 /nfs/dbraw/zinc/35/57/62/1222355762.db2.gz UFLBWXXAJSPTBT-RSPOEFSDSA-N 2 0 372.513 0.374 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)c2ccccc2)CC1 ZINC000828503007 1222407569 /nfs/dbraw/zinc/40/75/69/1222407569.db2.gz QUPWVEDQRVIAJE-GOSISDBHSA-N 2 0 368.485 0.774 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001138466484 1222510521 /nfs/dbraw/zinc/51/05/21/1222510521.db2.gz KEPOGBIPSUBFBR-UHFFFAOYSA-N 2 0 360.418 0.220 20 0 FCADRP CC1CN(C[C@@H](O)C[NH+]2CCCC2)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000832317388 1222526897 /nfs/dbraw/zinc/52/68/97/1222526897.db2.gz GPFKVVPGDYAJCJ-PMACEKPBSA-N 2 0 368.566 0.154 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302255 1222677254 /nfs/dbraw/zinc/67/72/54/1222677254.db2.gz OKINPPJLVGADEY-IAGOWNOFSA-N 2 0 367.538 0.565 20 0 FCADRP Cc1nc(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)c[nH]1 ZINC001232459323 1226153178 /nfs/dbraw/zinc/15/31/78/1226153178.db2.gz CHZVJOZAPHHVDG-BHYGNILZSA-N 2 0 358.446 0.719 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@H]21 ZINC000841071562 1222806838 /nfs/dbraw/zinc/80/68/38/1222806838.db2.gz PMGSGLWTPOWRCU-WMLDXEAASA-N 2 0 360.458 0.905 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[NH2+]1 ZINC000841174466 1222811932 /nfs/dbraw/zinc/81/19/32/1222811932.db2.gz YXKWWXNXROJJSL-HNNXBMFYSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000841206774 1222813890 /nfs/dbraw/zinc/81/38/90/1222813890.db2.gz CSXRZKZXOPIJGB-JKSUJKDBSA-N 2 0 373.501 0.963 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000841230511 1222815229 /nfs/dbraw/zinc/81/52/29/1222815229.db2.gz AIYPLYZEODYVEI-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841287659 1222818107 /nfs/dbraw/zinc/81/81/07/1222818107.db2.gz HSCIIVGXHYWJEL-AWEZNQCLSA-N 2 0 363.462 0.733 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000841919210 1222831537 /nfs/dbraw/zinc/83/15/37/1222831537.db2.gz GXEYPJLORZABKN-UHFFFAOYSA-N 2 0 361.490 0.234 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000841931257 1222832040 /nfs/dbraw/zinc/83/20/40/1222832040.db2.gz QEQYRSVYHGPFSU-SFHVURJKSA-N 2 0 373.501 0.541 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842011497 1222832486 /nfs/dbraw/zinc/83/24/86/1222832486.db2.gz PEAAMAAHRIXLOT-HKUYNNGSSA-N 2 0 362.474 0.253 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000842189810 1222839621 /nfs/dbraw/zinc/83/96/21/1222839621.db2.gz QLTLUIVAAVPFGG-LQWHRVPQSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000842190926 1222839821 /nfs/dbraw/zinc/83/98/21/1222839821.db2.gz VAQJEUXWPINWKV-YLJYHZDGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191004 1222839858 /nfs/dbraw/zinc/83/98/58/1222839858.db2.gz VUDYNCJNFIEOIX-FXAWDEMLSA-N 2 0 358.486 0.883 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000843260574 1222867631 /nfs/dbraw/zinc/86/76/31/1222867631.db2.gz XYCKABICXGUMSB-UHFFFAOYSA-N 2 0 367.538 0.297 20 0 FCADRP Cc1nc(N)ccc1C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277693568 1226159814 /nfs/dbraw/zinc/15/98/14/1226159814.db2.gz BFTZHYNVWPFGPS-IBGZPJMESA-N 2 0 359.474 0.875 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000843348416 1222871731 /nfs/dbraw/zinc/87/17/31/1222871731.db2.gz FWWWLSYPOFZJGH-CYBMUJFWSA-N 2 0 365.478 0.722 20 0 FCADRP CC[N@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153492091 1222978518 /nfs/dbraw/zinc/97/85/18/1222978518.db2.gz SPPBLQKCHMRTQX-RBSFLKMASA-N 2 0 367.494 0.095 20 0 FCADRP COC(=O)[C@H]([NH3+])C1CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001155169298 1223027689 /nfs/dbraw/zinc/02/76/89/1223027689.db2.gz LAAQYECZKYCTSG-QGZVFWFLSA-N 2 0 363.462 0.572 20 0 FCADRP [NH3+]Cc1nn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2ccccc12 ZINC001156860361 1223063161 /nfs/dbraw/zinc/06/31/61/1223063161.db2.gz GIERXXBZUUZMLH-UHFFFAOYSA-N 2 0 351.414 0.714 20 0 FCADRP CO[C@H]([C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC001157380131 1223075713 /nfs/dbraw/zinc/07/57/13/1223075713.db2.gz WPKGSXBSSMRKBX-LTIDMASMSA-N 2 0 368.522 0.626 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2cnccc2C1 ZINC001157568768 1223079011 /nfs/dbraw/zinc/07/90/11/1223079011.db2.gz VEHZDFFWMKJXCJ-IRXDYDNUSA-N 2 0 359.474 0.414 20 0 FCADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(C)([NH3+])C1 ZINC001157644801 1223079919 /nfs/dbraw/zinc/07/99/19/1223079919.db2.gz ZRYZXJXYFVQVOL-OAHLLOKOSA-N 2 0 357.458 0.492 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720870 1223080894 /nfs/dbraw/zinc/08/08/94/1223080894.db2.gz QRNIOXRPCCPWNF-QFBILLFUSA-N 2 0 371.485 0.561 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001157720628 1223081262 /nfs/dbraw/zinc/08/12/62/1223081262.db2.gz NBJMZRSNKXFYEU-QGZVFWFLSA-N 2 0 360.458 0.310 20 0 FCADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001157842085 1223083014 /nfs/dbraw/zinc/08/30/14/1223083014.db2.gz IYWNJXPJAXEWCS-OAGGEKHMSA-N 2 0 361.490 0.895 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157967011 1223085275 /nfs/dbraw/zinc/08/52/75/1223085275.db2.gz BJUMMDYRHYRBSB-RBUKOAKNSA-N 2 0 366.465 0.846 20 0 FCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971452 1223085910 /nfs/dbraw/zinc/08/59/10/1223085910.db2.gz YMEVVPYQBVOSLC-BZSNNMDCSA-N 2 0 356.470 0.903 20 0 FCADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001158076929 1223088557 /nfs/dbraw/zinc/08/85/57/1223088557.db2.gz QOEPHDJNWHXJLB-LAUBAEHRSA-N 2 0 370.497 0.693 20 0 FCADRP O=C([C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120234 1223089595 /nfs/dbraw/zinc/08/95/95/1223089595.db2.gz KQMFHLDWICUWMP-WWMYMODYSA-N 2 0 368.481 0.665 20 0 FCADRP C[NH2+][C@@H](CO)C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138247 1223089774 /nfs/dbraw/zinc/08/97/74/1223089774.db2.gz PUEMOKBKQORCKF-ROUUACIJSA-N 2 0 361.486 0.897 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162319 1223090202 /nfs/dbraw/zinc/09/02/02/1223090202.db2.gz XFURTHRIOVRCAI-BEVDRBHNSA-N 2 0 354.454 0.841 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138581 1223090314 /nfs/dbraw/zinc/09/03/14/1223090314.db2.gz XJRRGJUBDSHVED-ROUUACIJSA-N 2 0 360.502 0.993 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001158256380 1223091854 /nfs/dbraw/zinc/09/18/54/1223091854.db2.gz IEXDHRVWTCCTEE-BZUAXINKSA-N 2 0 359.474 0.528 20 0 FCADRP O=C([C@H]1Cc2cc(O)ccc2C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263005 1223092492 /nfs/dbraw/zinc/09/24/92/1223092492.db2.gz XSOJYUFZCKCZMV-MRXNPFEDSA-N 2 0 368.441 0.119 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277916 1223093659 /nfs/dbraw/zinc/09/36/59/1223093659.db2.gz XLFHFCKBNKUZHU-KGLIPLIRSA-N 2 0 362.478 0.245 20 0 FCADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001158282458 1223094090 /nfs/dbraw/zinc/09/40/90/1223094090.db2.gz ROPZPZHJQRZAIS-MSOLQXFVSA-N 2 0 363.506 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001158379565 1223095944 /nfs/dbraw/zinc/09/59/44/1223095944.db2.gz CLJMAHPGWKSRHB-BFYDXBDKSA-N 2 0 364.494 0.251 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccccc2F)CC[N@@H+]1C ZINC001158381120 1223096225 /nfs/dbraw/zinc/09/62/25/1223096225.db2.gz YFJGKTOADUMDKN-GDBMZVCRSA-N 2 0 364.465 0.878 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421222 1223097410 /nfs/dbraw/zinc/09/74/10/1223097410.db2.gz CZUBFDIYVDOKOL-MHORFTMASA-N 2 0 357.454 0.870 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001158496631 1223100200 /nfs/dbraw/zinc/10/02/00/1223100200.db2.gz WALSJMHRLMGGEI-OKZBNKHCSA-N 2 0 357.454 0.627 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001158507504 1223100640 /nfs/dbraw/zinc/10/06/40/1223100640.db2.gz YPOUKAVOSUNFBF-RYQLBKOJSA-N 2 0 372.469 0.462 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)CN3CC[NH2+]CC3)CC2)CC1 ZINC001158513672 1223100803 /nfs/dbraw/zinc/10/08/03/1223100803.db2.gz PFRMYVBQCLFRBF-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001158498257 1223100909 /nfs/dbraw/zinc/10/09/09/1223100909.db2.gz NHQQKXRPUQQLNR-XLAORIBOSA-N 2 0 357.454 0.843 20 0 FCADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158545304 1223101637 /nfs/dbraw/zinc/10/16/37/1223101637.db2.gz ATWXKDVIJZNQKP-AYBZRNKSSA-N 2 0 354.454 0.070 20 0 FCADRP O=C([C@H](c1ccco1)N1CCC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533283 1223101723 /nfs/dbraw/zinc/10/17/23/1223101723.db2.gz JRAQPTBETBHIPL-WBQJQJEBSA-N 2 0 374.485 0.595 20 0 FCADRP O=C(c1cccnc1O[C@H]1CC[NH2+]C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544265 1223101974 /nfs/dbraw/zinc/10/19/74/1223101974.db2.gz CDRMJCMTTFZKGB-NXEZDXNNSA-N 2 0 358.442 0.415 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558583 1223102136 /nfs/dbraw/zinc/10/21/36/1223102136.db2.gz SQAGKPIPWNZNQH-DYXWJJEUSA-N 3 0 371.529 0.343 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@]34C(=O)Nc3ccccc34)C[C@H]2CF)CC1 ZINC001158566631 1223102142 /nfs/dbraw/zinc/10/21/42/1223102142.db2.gz BXJIMSLYCSCSIE-FVMRLONNSA-N 2 0 372.444 0.631 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158578988 1223103071 /nfs/dbraw/zinc/10/30/71/1223103071.db2.gz NNAPLLKAWDHXJW-XHSDSOJGSA-N 2 0 362.449 0.208 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661667 1223104829 /nfs/dbraw/zinc/10/48/29/1223104829.db2.gz YLIKAKBHTUIYMD-GFCCVEGCSA-N 2 0 358.402 0.022 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158871848 1223111668 /nfs/dbraw/zinc/11/16/68/1223111668.db2.gz VVGRCENTOHLSLA-AWEZNQCLSA-N 2 0 373.461 0.093 20 0 FCADRP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158957898 1223113252 /nfs/dbraw/zinc/11/32/52/1223113252.db2.gz AYIMSWHJWXNUMW-HNNXBMFYSA-N 2 0 363.462 0.367 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)C1 ZINC001159030765 1223115626 /nfs/dbraw/zinc/11/56/26/1223115626.db2.gz VBLLGTQDJPTHOV-HOCLYGCPSA-N 2 0 357.458 0.112 20 0 FCADRP [NH3+][C@H](C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)C1CC[NH2+]CC1 ZINC001159157523 1223119858 /nfs/dbraw/zinc/11/98/58/1223119858.db2.gz HHSNSFYRLBFQKG-SFHVURJKSA-N 3 0 360.506 0.191 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC2 ZINC001159189302 1223120115 /nfs/dbraw/zinc/12/01/15/1223120115.db2.gz CPJZREHPLFXNMO-CQSZACIVSA-N 2 0 365.478 0.614 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159234192 1223121528 /nfs/dbraw/zinc/12/15/28/1223121528.db2.gz GAPCPYIVLTVQOZ-OAHLLOKOSA-N 2 0 370.457 0.336 20 0 FCADRP Cc1cccc(N(C(=O)CN2CC[NH2+]CC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338858 1223124811 /nfs/dbraw/zinc/12/48/11/1223124811.db2.gz IVCOGWDCMDHAIF-QUCCMNQESA-N 2 0 358.486 0.754 20 0 FCADRP Cc1cccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339437 1223124947 /nfs/dbraw/zinc/12/49/47/1223124947.db2.gz NTCHMSOYRDUIRV-RLLQIKCJSA-N 2 0 358.486 0.930 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402574 1223126107 /nfs/dbraw/zinc/12/61/07/1223126107.db2.gz HTVJJMDDPUOLCC-XFIYOXNOSA-N 2 0 363.437 0.382 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CC[NH2+]CC1)CCC2 ZINC001159481526 1223127962 /nfs/dbraw/zinc/12/79/62/1223127962.db2.gz UEDUJVMCRGEGKE-UHFFFAOYSA-N 2 0 361.490 0.815 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CCCCNC(N)=[NH2+])C2 ZINC001159481878 1223128072 /nfs/dbraw/zinc/12/80/72/1223128072.db2.gz XHZIFNOGUVADSQ-VQIMIIECSA-N 2 0 365.522 0.847 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159584109 1223130258 /nfs/dbraw/zinc/13/02/58/1223130258.db2.gz GNLGNOQJUZWMBP-JKSUJKDBSA-N 2 0 359.474 0.077 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159643184 1223132288 /nfs/dbraw/zinc/13/22/88/1223132288.db2.gz KOQVLPAQZUFVBB-INIZCTEOSA-N 2 0 359.478 0.230 20 0 FCADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H]([NH3+])C4CC[NH2+]CC4)C[C@@H]32)C1=O ZINC001159687934 1223133998 /nfs/dbraw/zinc/13/39/98/1223133998.db2.gz LWOLSOLHCZFBJA-YYAJDYIMSA-N 2 0 361.490 0.201 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159698326 1223134647 /nfs/dbraw/zinc/13/46/47/1223134647.db2.gz LRKGKLBWLAZXKC-IRXDYDNUSA-N 2 0 368.481 0.318 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159722943 1223135194 /nfs/dbraw/zinc/13/51/94/1223135194.db2.gz NIDNEQHPUFILSC-KBPBESRZSA-N 2 0 371.445 0.263 20 0 FCADRP CN1Cc2ccccc2CC2(CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)C1=O ZINC001159790624 1223136637 /nfs/dbraw/zinc/13/66/37/1223136637.db2.gz IVSGSEPNWHZSPX-QGZVFWFLSA-N 2 0 358.486 0.876 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819151 1223137096 /nfs/dbraw/zinc/13/70/96/1223137096.db2.gz UTHRVQCRNOUZNP-ZBFHGGJFSA-N 2 0 366.506 0.509 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856318 1223138505 /nfs/dbraw/zinc/13/85/05/1223138505.db2.gz SWJRGHKOAJHQEU-RYQLBKOJSA-N 2 0 373.432 0.783 20 0 FCADRP O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001159929690 1223140031 /nfs/dbraw/zinc/14/00/31/1223140031.db2.gz IWIGCLFQDNJYRF-FXUPRZHBSA-N 2 0 372.469 0.761 20 0 FCADRP Cc1ccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054320 1223143238 /nfs/dbraw/zinc/14/32/38/1223143238.db2.gz ZMEDMACIVFJGSM-CRAIPNDOSA-N 2 0 374.489 0.110 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001160041911 1223143410 /nfs/dbraw/zinc/14/34/10/1223143410.db2.gz RRGICSKSRFDIIG-RVKKMQEKSA-N 2 0 369.510 0.125 20 0 FCADRP O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C[C@H]21 ZINC001160119098 1223146109 /nfs/dbraw/zinc/14/61/09/1223146109.db2.gz CAFFEZBFPZCVOF-HRCADAONSA-N 2 0 372.469 0.827 20 0 FCADRP O=C(N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160137212 1223146403 /nfs/dbraw/zinc/14/64/03/1223146403.db2.gz BZAKYNOMHLJZAU-KFYUBCHVSA-N 2 0 371.485 0.133 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2C[NH2+]C[C@H]2O)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172580 1223148126 /nfs/dbraw/zinc/14/81/26/1223148126.db2.gz YWUDQPOLHDZVHU-FUHWJXTLSA-N 2 0 367.453 0.718 20 0 FCADRP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160203513 1223149436 /nfs/dbraw/zinc/14/94/36/1223149436.db2.gz WPKZHEOAWNNAEQ-SJORKVTESA-N 2 0 374.529 0.731 20 0 FCADRP COCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160325561 1223155076 /nfs/dbraw/zinc/15/50/76/1223155076.db2.gz MFEHGTSDWWTBTL-ULQDDVLXSA-N 2 0 367.494 0.051 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1CC[NH2+]C[C@@H]1F)CCC2 ZINC001160370959 1223156797 /nfs/dbraw/zinc/15/67/97/1223156797.db2.gz DROSXPXUZLFXAS-CABCVRRESA-N 2 0 367.469 0.641 20 0 FCADRP COc1cc2c(cc1Nc1cnn(C3C[NH2+]C3)c1)NC(=O)[C@]21CC[NH2+]C1 ZINC001160362422 1223156873 /nfs/dbraw/zinc/15/68/73/1223156873.db2.gz QPPFKEVILCGWEY-SFHVURJKSA-N 2 0 354.414 0.963 20 0 FCADRP C[C@]1(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CC[NH2+]C1 ZINC001160408921 1223157728 /nfs/dbraw/zinc/15/77/28/1223157728.db2.gz WKPIKZZEMFAXGK-SFHVURJKSA-N 2 0 355.446 0.699 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160405103 1223157882 /nfs/dbraw/zinc/15/78/82/1223157882.db2.gz FRDXSYUCHZENNH-KBPBESRZSA-N 2 0 373.436 0.790 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422496 1223159060 /nfs/dbraw/zinc/15/90/60/1223159060.db2.gz HACXNTPTRZZKGT-IKLKHMQRSA-N 2 0 358.486 0.863 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001160422498 1223159371 /nfs/dbraw/zinc/15/93/71/1223159371.db2.gz HACXNTPTRZZKGT-LZBKUMLDSA-N 2 0 358.486 0.863 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160463891 1223160728 /nfs/dbraw/zinc/16/07/28/1223160728.db2.gz PRUQRCZGLFLQAC-CVEARBPZSA-N 2 0 368.522 0.722 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584374 1223165563 /nfs/dbraw/zinc/16/55/63/1223165563.db2.gz DKCPKLQJVGPSKA-HNNXBMFYSA-N 3 0 359.474 0.560 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001160627765 1223166596 /nfs/dbraw/zinc/16/65/96/1223166596.db2.gz GLXIZOKEUIXGFO-RTBURBONSA-N 3 0 367.582 0.792 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766229 1223171827 /nfs/dbraw/zinc/17/18/27/1223171827.db2.gz NPBXCVFGPSJEEP-YESZJQIVSA-N 2 0 372.469 0.476 20 0 FCADRP CCOC(=O)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@H]1c1ccccc1 ZINC001160765588 1223172088 /nfs/dbraw/zinc/17/20/88/1223172088.db2.gz BFEAPDFGIURFCN-OKZBNKHCSA-N 2 0 371.481 0.991 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C)C[C@H]1C[NH2+]CC2 ZINC001160811376 1223174741 /nfs/dbraw/zinc/17/47/41/1223174741.db2.gz OOWDCHCXNYATMQ-BKEDOTJMSA-N 2 0 369.506 0.779 20 0 FCADRP COc1cccnc1N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160846821 1223177535 /nfs/dbraw/zinc/17/75/35/1223177535.db2.gz OMNDAYMMPYBNPW-OAHLLOKOSA-N 2 0 359.474 0.613 20 0 FCADRP CO[C@@H](CN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906087 1223180183 /nfs/dbraw/zinc/18/01/83/1223180183.db2.gz BLXPRDCFROVOBN-OALUTQOASA-N 2 0 360.502 0.845 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160906146 1223180319 /nfs/dbraw/zinc/18/03/19/1223180319.db2.gz ZWYHSHUKZVTAAF-HNNXBMFYSA-N 2 0 358.446 0.411 20 0 FCADRP [NH3+]CCc1cn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c2cc[nH+]cc12 ZINC001160950632 1223181936 /nfs/dbraw/zinc/18/19/36/1223181936.db2.gz ORVAFAWXMYTILU-UHFFFAOYSA-N 3 0 350.426 0.967 20 0 FCADRP O=C(c1cccc(CN2CC[NH2+]CC2)c1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009126 1223182920 /nfs/dbraw/zinc/18/29/20/1223182920.db2.gz SARYTSMDCMYAPU-GOSISDBHSA-N 2 0 358.486 0.421 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161039350 1223184172 /nfs/dbraw/zinc/18/41/72/1223184172.db2.gz RWPGJSHCLMDJFT-OAHLLOKOSA-N 2 0 373.428 0.961 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001161152947 1223188042 /nfs/dbraw/zinc/18/80/42/1223188042.db2.gz BXXUTUKXBVCJNV-UHFFFAOYSA-N 2 0 362.474 0.734 20 0 FCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196410 1223188653 /nfs/dbraw/zinc/18/86/53/1223188653.db2.gz GONVTONSEJKIMV-AZUAARDMSA-N 2 0 364.534 0.537 20 0 FCADRP COc1cnc(O[C@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)nc1 ZINC001161299532 1223194562 /nfs/dbraw/zinc/19/45/62/1223194562.db2.gz WRDWFRVGAPXVEY-DZGCQCFKSA-N 2 0 361.446 0.339 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322261 1223195665 /nfs/dbraw/zinc/19/56/65/1223195665.db2.gz NOPXGHDBIUYTGP-ZVZYQTTQSA-N 3 0 367.538 0.014 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321534 1223196130 /nfs/dbraw/zinc/19/61/30/1223196130.db2.gz JEAYOGODDHGRPM-ZOBUZTSGSA-N 2 0 368.522 0.754 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001161379814 1223196918 /nfs/dbraw/zinc/19/69/18/1223196918.db2.gz QRKAZNAHPZWTER-HKUYNNGSSA-N 2 0 360.502 0.979 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379923 1223197962 /nfs/dbraw/zinc/19/79/62/1223197962.db2.gz RWBVBTIJDXLOEL-LPHOPBHVSA-N 3 0 363.550 0.474 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C(=O)NC4CC[NH2+]CC4)cc3)C[C@H]12 ZINC001161416615 1223198351 /nfs/dbraw/zinc/19/83/51/1223198351.db2.gz JIBAETZMUBHQTK-RYQLBKOJSA-N 2 0 356.470 0.978 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C[C@H]12 ZINC001161417870 1223199023 /nfs/dbraw/zinc/19/90/23/1223199023.db2.gz YOMLKMHSYBKBDW-UZMCECQYSA-N 2 0 356.430 0.200 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161443610 1223199169 /nfs/dbraw/zinc/19/91/69/1223199169.db2.gz ZQWUTPXSUDEGKY-IRXDYDNUSA-N 3 0 374.533 0.276 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)CC12COC2 ZINC001161509881 1223202699 /nfs/dbraw/zinc/20/26/99/1223202699.db2.gz MCBJPNYRDBAOSM-ROUUACIJSA-N 2 0 369.469 0.300 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC4(C3)C[NH+](C)C4)cc(=O)oc2c1 ZINC001161531216 1223204393 /nfs/dbraw/zinc/20/43/93/1223204393.db2.gz CPYYPPOLKJRNII-HNNXBMFYSA-N 2 0 357.410 0.445 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001162536993 1223218022 /nfs/dbraw/zinc/21/80/22/1223218022.db2.gz CZCQDQNXVHTTJV-AWEZNQCLSA-N 2 0 369.425 0.658 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(C[C@@H](C[NH3+])C(=O)OC)cc1 ZINC001162537034 1223218263 /nfs/dbraw/zinc/21/82/63/1223218263.db2.gz MQCFQEKZUCOEJI-ZDUSSCGKSA-N 2 0 360.414 0.798 20 0 FCADRP C[NH+]1CCC(COc2cnc(NCc3nnc4n3CCC[NH2+]C4)nc2)CC1 ZINC001163016355 1223223842 /nfs/dbraw/zinc/22/38/42/1223223842.db2.gz BAWMOWVJUZOHCG-UHFFFAOYSA-N 2 0 372.477 0.894 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(OC)nc(N2CCCCCC2)n1 ZINC001163129435 1223227294 /nfs/dbraw/zinc/22/72/94/1223227294.db2.gz XWTHQIJVSOKMKE-UHFFFAOYSA-N 2 0 364.498 0.961 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316128 1223229057 /nfs/dbraw/zinc/22/90/57/1223229057.db2.gz OPPZGNGERFEVNT-HNAYVOBHSA-N 2 0 374.489 0.624 20 0 FCADRP COCCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164583426 1223240316 /nfs/dbraw/zinc/24/03/16/1223240316.db2.gz ZHTIOYMFVPPYSR-HZPDHXFCSA-N 2 0 368.522 0.355 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001165134189 1223242627 /nfs/dbraw/zinc/24/26/27/1223242627.db2.gz RJESAMMARRYIDN-UHFFFAOYSA-N 2 0 373.501 0.818 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165370594 1223245098 /nfs/dbraw/zinc/24/50/98/1223245098.db2.gz BGJGNVZZTUHTAC-LSDHHAIUSA-N 2 0 371.363 0.601 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ncc3c(n2)CC[NH2+]C3)nc1 ZINC001165458391 1223246563 /nfs/dbraw/zinc/24/65/63/1223246563.db2.gz LJNHGYDTFLHNAU-UHFFFAOYSA-N 2 0 364.413 0.884 20 0 FCADRP CC(C)N(c1ccc(N2CC[NH2+]CC2)nn1)c1ncnc2c1CC[NH2+]CC2 ZINC001165513273 1223247519 /nfs/dbraw/zinc/24/75/19/1223247519.db2.gz UTOWOIRBAGPGQZ-UHFFFAOYSA-N 2 0 368.489 0.911 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncnc3c2CC[NH2+]C3)nc1 ZINC001165800427 1223256978 /nfs/dbraw/zinc/25/69/78/1223256978.db2.gz AIRXHOUCORTQRX-JLJPHGGASA-N 2 0 367.457 0.675 20 0 FCADRP CCOC(=O)C[C@H]1C(=O)NCCN1c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001166548109 1223281956 /nfs/dbraw/zinc/28/19/56/1223281956.db2.gz OXMPHRHCOTYGAF-AWEZNQCLSA-N 2 0 361.446 0.267 20 0 FCADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001166700264 1223284194 /nfs/dbraw/zinc/28/41/94/1223284194.db2.gz DOXQVIVZYCRKGI-CQSZACIVSA-N 2 0 353.430 0.217 20 0 FCADRP COC(=O)C1(Nc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)CC[NH2+]CC1 ZINC001166967765 1223290278 /nfs/dbraw/zinc/29/02/78/1223290278.db2.gz LKXXBGWPJAJLCB-UHFFFAOYSA-N 2 0 360.458 0.957 20 0 FCADRP c1c2c(cccc2N2CC[NH2+]CC2)nn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001166991932 1223291095 /nfs/dbraw/zinc/29/10/95/1223291095.db2.gz ZSWIGVCZNSRYHP-UHFFFAOYSA-N 2 0 364.457 0.635 20 0 FCADRP C[NH+](C)[C@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC001205144651 1223312434 /nfs/dbraw/zinc/31/24/34/1223312434.db2.gz JNOIHXRZXBYMMY-QRVBRYPASA-N 2 0 361.486 0.393 20 0 FCADRP C[NH+](C)C1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)CCC1 ZINC001205150316 1223312735 /nfs/dbraw/zinc/31/27/35/1223312735.db2.gz ANOSTNRTQIAAKQ-QZTJIDSGSA-N 2 0 361.486 0.537 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335290 1223320122 /nfs/dbraw/zinc/32/01/22/1223320122.db2.gz WNNHSFVQLUWLOL-BPQIPLTHSA-N 2 0 371.522 0.179 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205318928 1223320147 /nfs/dbraw/zinc/32/01/47/1223320147.db2.gz VNUJQNURYYEYIR-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001205339417 1223320542 /nfs/dbraw/zinc/32/05/42/1223320542.db2.gz FWODRKXXLWFWOX-AEGPPILISA-N 2 0 367.494 0.128 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205387849 1223321758 /nfs/dbraw/zinc/32/17/58/1223321758.db2.gz NCSQHAMIUPJWOH-GVDBMIGSSA-N 2 0 362.449 0.550 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)CC1 ZINC001205511077 1223329453 /nfs/dbraw/zinc/32/94/53/1223329453.db2.gz VXFZJSJRAUDYJE-DLBZAZTESA-N 2 0 365.518 0.650 20 0 FCADRP [NH3+]C[C@@]1(O)CCCCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001205681876 1223335141 /nfs/dbraw/zinc/33/51/41/1223335141.db2.gz NWMMXWCPGBOKHU-IBGZPJMESA-N 2 0 358.490 0.872 20 0 FCADRP Cc1ncc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1C ZINC001206793106 1223370262 /nfs/dbraw/zinc/37/02/62/1223370262.db2.gz QCNTUQXBDFICCA-UHFFFAOYSA-N 2 0 362.522 0.399 20 0 FCADRP CNC(=O)[C@]12C[N@H+](CC3CC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001207397727 1223443023 /nfs/dbraw/zinc/44/30/23/1223443023.db2.gz RNXHAXVLYUKPJR-YLJYHZDGSA-N 2 0 372.517 0.835 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC1 ZINC001207397879 1223443075 /nfs/dbraw/zinc/44/30/75/1223443075.db2.gz SYDUXVYZAYHMJE-JENIJYKNSA-N 2 0 373.501 0.885 20 0 FCADRP Cn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001207398166 1223443209 /nfs/dbraw/zinc/44/32/09/1223443209.db2.gz YQEQQYQOJMOAEZ-KZNAEPCWSA-N 2 0 361.490 0.724 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001207396959 1223443557 /nfs/dbraw/zinc/44/35/57/1223443557.db2.gz AYGCQYBCBGHICE-LJQANCHMSA-N 2 0 361.490 0.726 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001207397463 1223443736 /nfs/dbraw/zinc/44/37/36/1223443736.db2.gz LHBSPVLCVSXPPN-QRVBRYPASA-N 2 0 365.518 0.772 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207396844 1223443834 /nfs/dbraw/zinc/44/38/34/1223443834.db2.gz WJKDNHZJYBHIKL-UHFFFAOYSA-N 3 0 365.566 0.498 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207537480 1223452851 /nfs/dbraw/zinc/45/28/51/1223452851.db2.gz BIHDAGBGOAFZBJ-HZSPNIEDSA-N 2 0 367.494 0.141 20 0 FCADRP COc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)nc1 ZINC001276542880 1223462979 /nfs/dbraw/zinc/46/29/79/1223462979.db2.gz HDITUEWJWOCUHH-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682668 1223469983 /nfs/dbraw/zinc/46/99/83/1223469983.db2.gz STHXVUBNVPXSTA-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CCC[C@H](CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615329 1223563618 /nfs/dbraw/zinc/56/36/18/1223563618.db2.gz VWPZEZSYOLOGMH-MANSERQUSA-N 2 0 365.518 0.914 20 0 FCADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612183 1223564165 /nfs/dbraw/zinc/56/41/65/1223564165.db2.gz GJHHAKTZHWLIOK-OALUTQOASA-N 2 0 360.550 0.904 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC1=O)COCCN(CC[NH+]1CCCC1)C2 ZINC001276610964 1223594835 /nfs/dbraw/zinc/59/48/35/1223594835.db2.gz HJGICUOTBGODBC-IBGZPJMESA-N 2 0 361.490 0.567 20 0 FCADRP CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276630235 1223609516 /nfs/dbraw/zinc/60/95/16/1223609516.db2.gz NNAYJEZVNPPANY-SJLPKXTDSA-N 2 0 364.534 0.820 20 0 FCADRP COCCOCN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630368 1223609593 /nfs/dbraw/zinc/60/95/93/1223609593.db2.gz PRXIGLOFSFEUAF-IBGZPJMESA-N 2 0 368.522 0.169 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCC[C@@]3(CC(=O)N(CC(F)F)C3=O)C2)CC1 ZINC001276636245 1223613412 /nfs/dbraw/zinc/61/34/12/1223613412.db2.gz LSMGOALQUGBYIZ-GOSISDBHSA-N 2 0 372.460 0.730 20 0 FCADRP Cc1nnc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001209836988 1223652718 /nfs/dbraw/zinc/65/27/18/1223652718.db2.gz UCAFSBOTTOGEAJ-DVOMOZLQSA-N 2 0 365.478 0.986 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342127 1223788184 /nfs/dbraw/zinc/78/81/84/1223788184.db2.gz IAPGLJMKXCQHFD-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346675 1223788995 /nfs/dbraw/zinc/78/89/95/1223788995.db2.gz XZKMACPTXUKAKN-IAGOWNOFSA-N 2 0 366.510 0.606 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348417 1223789453 /nfs/dbraw/zinc/78/94/53/1223789453.db2.gz LVNWOZOUQMWBQA-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368456 1223791106 /nfs/dbraw/zinc/79/11/06/1223791106.db2.gz ALRXEJUIWPYKAF-RCCFBDPRSA-N 2 0 371.522 0.177 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378391 1223792425 /nfs/dbraw/zinc/79/24/25/1223792425.db2.gz OVLZGVYGXCARRK-RCCFBDPRSA-N 2 0 367.465 0.496 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574950 1223816092 /nfs/dbraw/zinc/81/60/92/1223816092.db2.gz REAWVZKMOHJBQG-RCCFBDPRSA-N 2 0 365.474 0.185 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213596821 1223820456 /nfs/dbraw/zinc/82/04/56/1223820456.db2.gz LVVQUIJNYPWDDV-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213596820 1223820724 /nfs/dbraw/zinc/82/07/24/1223820724.db2.gz LVVQUIJNYPWDDV-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213763494 1223846085 /nfs/dbraw/zinc/84/60/85/1223846085.db2.gz WDASVZMFVMBPPW-HZPDHXFCSA-N 2 0 367.494 0.858 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767402 1223846687 /nfs/dbraw/zinc/84/66/87/1223846687.db2.gz RMNZJEQCBIAXDQ-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921560 1223873187 /nfs/dbraw/zinc/87/31/87/1223873187.db2.gz DQGRLWBSWCXCLJ-KBAYOESNSA-N 2 0 365.474 0.185 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)n(C)n1 ZINC001214337697 1223902392 /nfs/dbraw/zinc/90/23/92/1223902392.db2.gz AMWDFYKHXBUVGP-BPLDGKMQSA-N 2 0 362.478 0.198 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214648602 1223929128 /nfs/dbraw/zinc/92/91/28/1223929128.db2.gz QVMVXEYDTVMWCX-VHDGCEQUSA-N 2 0 361.446 0.391 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001214665956 1223930510 /nfs/dbraw/zinc/93/05/10/1223930510.db2.gz NUKJKZYUJVRXRZ-YYIAUSFCSA-N 2 0 368.522 0.306 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001214757228 1223939417 /nfs/dbraw/zinc/93/94/17/1223939417.db2.gz FJFCPKXDQGAZCJ-HYVNUMGLSA-N 2 0 370.513 0.971 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001214780222 1223941814 /nfs/dbraw/zinc/94/18/14/1223941814.db2.gz PWWPYTGPQVNIKU-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214847652 1223948015 /nfs/dbraw/zinc/94/80/15/1223948015.db2.gz MOZMAFXQQIFPCW-ZIAGYGMSSA-N 2 0 360.462 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001214863438 1223949117 /nfs/dbraw/zinc/94/91/17/1223949117.db2.gz NRYIHCGUDVKIKO-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214890010 1223951991 /nfs/dbraw/zinc/95/19/91/1223951991.db2.gz RSUBUFIDRABJTI-QLFBSQMISA-N 2 0 363.462 0.924 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214969203 1223960833 /nfs/dbraw/zinc/96/08/33/1223960833.db2.gz KZWRBMRLKYTZAP-OIISXLGYSA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215001339 1223963065 /nfs/dbraw/zinc/96/30/65/1223963065.db2.gz DUKMLGSEKXLANX-MGPQQGTHSA-N 2 0 369.510 0.387 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122286 1223975850 /nfs/dbraw/zinc/97/58/50/1223975850.db2.gz OTZGWORJNCFHGM-RHSMWYFYSA-N 2 0 370.457 0.842 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215185116 1223980817 /nfs/dbraw/zinc/98/08/17/1223980817.db2.gz ZELUTDMVHPDKCN-QUJXQBBWSA-N 2 0 365.518 0.959 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C)C1CC1 ZINC001215200450 1223981653 /nfs/dbraw/zinc/98/16/53/1223981653.db2.gz WIMDVGATMPMDJB-IIAWOOMASA-N 2 0 361.490 0.704 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219407 1223983139 /nfs/dbraw/zinc/98/31/39/1223983139.db2.gz AJAPDWRHDMHQLW-RVKKMQEKSA-N 2 0 360.502 0.975 20 0 FCADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215226252 1223983606 /nfs/dbraw/zinc/98/36/06/1223983606.db2.gz HHNCFHVRTMVHSP-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001215220151 1223983703 /nfs/dbraw/zinc/98/37/03/1223983703.db2.gz WRFBLEHWUPOQJG-VQIMIIECSA-N 2 0 363.502 0.850 20 0 FCADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001215226837 1223983790 /nfs/dbraw/zinc/98/37/90/1223983790.db2.gz UJJPIDFWHATUAB-ZACQAIPSSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001215416224 1223998297 /nfs/dbraw/zinc/99/82/97/1223998297.db2.gz QAIITVPCBGWNCN-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215453535 1223999813 /nfs/dbraw/zinc/99/98/13/1223999813.db2.gz HCEBZPFTKVEQQE-RHSMWYFYSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001215461045 1224000635 /nfs/dbraw/zinc/00/06/35/1224000635.db2.gz PBNWOPZAKQAADL-HZSPNIEDSA-N 2 0 369.510 0.387 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)C(C)C ZINC001215977148 1224028295 /nfs/dbraw/zinc/02/82/95/1224028295.db2.gz HTNKYRUMMAGZRE-FMKPAKJESA-N 2 0 369.510 0.245 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001215989983 1224028838 /nfs/dbraw/zinc/02/88/38/1224028838.db2.gz PXRAMGAAZNSGSI-RBSFLKMASA-N 2 0 369.510 0.387 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215990046 1224028942 /nfs/dbraw/zinc/02/89/42/1224028942.db2.gz RNJCBNDYTDFPOG-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001216402001 1224048700 /nfs/dbraw/zinc/04/87/00/1224048700.db2.gz RPWMIPZHXZBDKL-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410174 1224048960 /nfs/dbraw/zinc/04/89/60/1224048960.db2.gz RZEYTXBFVXXCBN-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463781 1224052385 /nfs/dbraw/zinc/05/23/85/1224052385.db2.gz IQOZRJUTWWBYGC-QLFBSQMISA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001216463317 1224052439 /nfs/dbraw/zinc/05/24/39/1224052439.db2.gz DLOJZSBNABPVTC-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216507501 1224053597 /nfs/dbraw/zinc/05/35/97/1224053597.db2.gz YGBPJLJHYBNSPB-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216514578 1224053608 /nfs/dbraw/zinc/05/36/08/1224053608.db2.gz JSYFDPXJUQHKLU-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216511154 1224053863 /nfs/dbraw/zinc/05/38/63/1224053863.db2.gz KKZMGNVMYQHUAB-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752433 1224068501 /nfs/dbraw/zinc/06/85/01/1224068501.db2.gz OMPMEPFODAMRJQ-VHDGCEQUSA-N 2 0 362.478 0.055 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772986 1224071150 /nfs/dbraw/zinc/07/11/50/1224071150.db2.gz SZPGYOABRSNVDB-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@]2(C)C1 ZINC000993315435 1249458193 /nfs/dbraw/zinc/45/81/93/1249458193.db2.gz FADLKWNXMFYWKB-ZRGWGRIASA-N 2 0 359.474 0.743 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994027919 1250153001 /nfs/dbraw/zinc/15/30/01/1250153001.db2.gz AXKJLORWIZHCED-BRWVUGGUSA-N 2 0 364.534 0.881 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848614828 1245375844 /nfs/dbraw/zinc/37/58/44/1245375844.db2.gz YGWNHYIWPILXFR-ROUUACIJSA-N 2 0 358.486 0.937 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000849062568 1245391849 /nfs/dbraw/zinc/39/18/49/1245391849.db2.gz PTMZWCSKOCORGD-INIZCTEOSA-N 2 0 360.510 0.149 20 0 FCADRP [NH2+]=C(NCCN1C(=O)CNC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849102014 1245392749 /nfs/dbraw/zinc/39/27/49/1245392749.db2.gz KQSWNBULEYNIDX-UHFFFAOYSA-N 2 0 358.446 0.317 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000891504649 1245451825 /nfs/dbraw/zinc/45/18/25/1245451825.db2.gz UDNCDQPIACXUFZ-IRXDYDNUSA-N 2 0 362.474 0.899 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891511408 1245452286 /nfs/dbraw/zinc/45/22/86/1245452286.db2.gz BKTJYELZLOHHPU-CALCHBBNSA-N 2 0 373.505 0.525 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538723 1245453569 /nfs/dbraw/zinc/45/35/69/1245453569.db2.gz SGIMWHCLOKBRFE-JONQDZQNSA-N 2 0 365.478 0.437 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000908037635 1245480074 /nfs/dbraw/zinc/48/00/74/1245480074.db2.gz VAOIJJKYZZAWJA-LJQANCHMSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516481 1245504318 /nfs/dbraw/zinc/50/43/18/1245504318.db2.gz KLOVFDMVFOFTBU-CGTJXYLNSA-N 2 0 374.485 0.297 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000911516472 1245504400 /nfs/dbraw/zinc/50/44/00/1245504400.db2.gz KJGNTADDJUQYKJ-BMGDILEWSA-N 2 0 356.470 0.672 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000916759376 1245540280 /nfs/dbraw/zinc/54/02/80/1245540280.db2.gz LFXFALAZZPSXSN-INIZCTEOSA-N 2 0 361.494 0.382 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cnc2n1CCOC2 ZINC000921928981 1245656320 /nfs/dbraw/zinc/65/63/20/1245656320.db2.gz WSXPZIIQVQXYSZ-SFHVURJKSA-N 2 0 371.485 0.792 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282344 1245705150 /nfs/dbraw/zinc/70/51/50/1245705150.db2.gz NQLQMURXGHSPFN-JKSUJKDBSA-N 2 0 365.449 0.709 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400078 1245714550 /nfs/dbraw/zinc/71/45/50/1245714550.db2.gz WKHIJNTYKAUGGF-HZPDHXFCSA-N 3 0 360.506 0.377 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000941272564 1246535830 /nfs/dbraw/zinc/53/58/30/1246535830.db2.gz YVJGZKKQIJFMKQ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943796986 1247416927 /nfs/dbraw/zinc/41/69/27/1247416927.db2.gz SVWALVMYEUKTHO-BRWVUGGUSA-N 2 0 371.441 0.384 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000944465583 1247560624 /nfs/dbraw/zinc/56/06/24/1247560624.db2.gz KBPZXFSLLIKTAM-FIDHJVLJSA-N 2 0 366.506 0.153 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@@H+]1C ZINC000944619501 1247585008 /nfs/dbraw/zinc/58/50/08/1247585008.db2.gz XTOBLDSPBOKKSO-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1)[NH+](C)C ZINC000946430151 1247812368 /nfs/dbraw/zinc/81/23/68/1247812368.db2.gz SNEILTRBRZEXQR-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000946776050 1248012335 /nfs/dbraw/zinc/01/23/35/1248012335.db2.gz ZIHHAWAJAILZLK-USXIJHARSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1)[NH+](C)C ZINC000946776057 1248012793 /nfs/dbraw/zinc/01/27/93/1248012793.db2.gz ZPTHKSYHFZSQJW-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@H]32)CC[N@@H+]1C ZINC000976598362 1248272837 /nfs/dbraw/zinc/27/28/37/1248272837.db2.gz CXCZYCBZCALXMM-FUEZWAHWSA-N 2 0 367.453 0.861 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976602431 1248281439 /nfs/dbraw/zinc/28/14/39/1248281439.db2.gz RAXRLOKNPROHPD-ZXLDYLNASA-N 2 0 362.518 0.772 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976986275 1248509131 /nfs/dbraw/zinc/50/91/31/1248509131.db2.gz HJMNCBDJGZTRPQ-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC001328133005 1265489035 /nfs/dbraw/zinc/48/90/35/1265489035.db2.gz ZWLMCKFAKWIYSZ-QGZVFWFLSA-N 2 0 359.474 0.635 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001515328252 1265505459 /nfs/dbraw/zinc/50/54/59/1265505459.db2.gz VEGFETFTCNXWOS-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+]1CC2(C1)CCN(C(=O)CCCCC(=O)N1CCC3(C[NH+](C)C3)C1)C2 ZINC001328288387 1265522452 /nfs/dbraw/zinc/52/24/52/1265522452.db2.gz GNQHAEZZSVZTIB-UHFFFAOYSA-N 2 0 362.518 0.875 20 0 FCADRP CCCCN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000996328094 1251317222 /nfs/dbraw/zinc/31/72/22/1251317222.db2.gz CHNRZCDKHAGJOI-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP CCCn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000996602904 1251402258 /nfs/dbraw/zinc/40/22/58/1251402258.db2.gz ILSPCLGGOCEUIM-JKSUJKDBSA-N 2 0 363.510 0.894 20 0 FCADRP CCCCn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996607327 1251403380 /nfs/dbraw/zinc/40/33/80/1251403380.db2.gz MWGGLGFPNMMYOQ-GDBMZVCRSA-N 2 0 363.510 0.894 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnnn3C(C)(C)C)CC2)CC[N@@H+]1C ZINC000996607181 1251403675 /nfs/dbraw/zinc/40/36/75/1251403675.db2.gz KZXVVTROMLBHMW-UKRRQHHQSA-N 2 0 363.510 0.849 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)C2)CC[N@@H+]1C ZINC000996913786 1251449204 /nfs/dbraw/zinc/44/92/04/1251449204.db2.gz YNHBICTZHCYWAL-CZUORRHYSA-N 2 0 368.441 0.548 20 0 FCADRP [NH3+]CC[C@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC001580284566 1278088595 /nfs/dbraw/zinc/08/85/95/1278088595.db2.gz JQBIRSDCLBMGDR-CABZTGNLSA-N 2 0 350.200 0.624 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC000998655425 1251942867 /nfs/dbraw/zinc/94/28/67/1251942867.db2.gz NBNJFSPHOGZQCT-LTIDMASMSA-N 2 0 360.502 0.671 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001517857114 1265637069 /nfs/dbraw/zinc/63/70/69/1265637069.db2.gz PDZLHUROAGZKON-MRXNPFEDSA-N 2 0 373.501 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC001002260643 1252494734 /nfs/dbraw/zinc/49/47/34/1252494734.db2.gz SBFREIZSRORQNG-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC001002789348 1252675243 /nfs/dbraw/zinc/67/52/43/1252675243.db2.gz DGMROEBKZWZCEM-MLHJIOFPSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003744693 1253086625 /nfs/dbraw/zinc/08/66/25/1253086625.db2.gz AFSYYBHHWKPLJD-HPBDAGMYSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362845 1265716407 /nfs/dbraw/zinc/71/64/07/1265716407.db2.gz MNTBNEKDKJVJJQ-LPHOPBHVSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001061655570 1254198842 /nfs/dbraw/zinc/19/88/42/1254198842.db2.gz RFXXFKCELOMUML-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)C34CC[NH+](CC3)C4)CCC2)CC[N@@H+]1C ZINC001063731384 1254383601 /nfs/dbraw/zinc/38/36/01/1254383601.db2.gz KODZXZXGCGUSPL-JKSUJKDBSA-N 2 0 362.518 0.968 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207983 1254491039 /nfs/dbraw/zinc/49/10/39/1254491039.db2.gz YFSBKMBPCLOPQG-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065402627 1254527599 /nfs/dbraw/zinc/52/75/99/1254527599.db2.gz XMSLEGHBOCHIQG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553933 1254679367 /nfs/dbraw/zinc/67/93/67/1254679367.db2.gz UXGDKIWNCNYLBK-KBAYOESNSA-N 2 0 363.506 0.246 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001077570813 1254709719 /nfs/dbraw/zinc/70/97/19/1254709719.db2.gz ABKVRBJJJFNIQV-DZJNRPSUSA-N 2 0 363.506 0.337 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175062 1255287567 /nfs/dbraw/zinc/28/75/67/1255287567.db2.gz VSXABJUPTAJLRY-ATZDWAIDSA-N 2 0 359.470 0.372 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259590 1255492749 /nfs/dbraw/zinc/49/27/49/1255492749.db2.gz IJAJYTHRCSGXQT-FGTMMUONSA-N 2 0 365.518 0.914 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681219 1255570031 /nfs/dbraw/zinc/57/00/31/1255570031.db2.gz ATJDSZAOHICJSR-OAGGEKHMSA-N 2 0 364.490 0.445 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080136238 1255756215 /nfs/dbraw/zinc/75/62/15/1255756215.db2.gz IACHZWXFYXADON-CZUORRHYSA-N 2 0 369.425 0.533 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593174 1255947168 /nfs/dbraw/zinc/94/71/68/1255947168.db2.gz MKYFMPUZFNFFFC-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001080935212 1256103586 /nfs/dbraw/zinc/10/35/86/1256103586.db2.gz NNCKJLHLNYCYJU-FHLIZLRMSA-N 2 0 358.486 0.934 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001081173821 1256198697 /nfs/dbraw/zinc/19/86/97/1256198697.db2.gz OTFASIFYHCPQKE-IPMKNSEASA-N 2 0 370.497 0.801 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1)OC ZINC001081686073 1256335108 /nfs/dbraw/zinc/33/51/08/1256335108.db2.gz DTARNQQGLASMPS-DJIMGWMZSA-N 2 0 367.494 0.299 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2OC)CC[N@@H+]1C ZINC001081699407 1256338006 /nfs/dbraw/zinc/33/80/06/1256338006.db2.gz UVKYBLGBXKFSAD-BSDSXHPESA-N 2 0 363.506 0.508 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081788498 1256368941 /nfs/dbraw/zinc/36/89/41/1256368941.db2.gz RCEGPYFOFGYXQU-RCCFBDPRSA-N 2 0 363.506 0.676 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948205 1256467308 /nfs/dbraw/zinc/46/73/08/1256467308.db2.gz OCUHBULLTIJQBV-QZTJIDSGSA-N 2 0 368.441 0.740 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082515251 1256799403 /nfs/dbraw/zinc/79/94/03/1256799403.db2.gz GCFRPVNIGLQSID-KBAYOESNSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001082518100 1256803145 /nfs/dbraw/zinc/80/31/45/1256803145.db2.gz ZTYDEYQWTKUKGK-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001082518101 1256803274 /nfs/dbraw/zinc/80/32/74/1256803274.db2.gz ZTYDEYQWTKUKGK-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082518042 1256804076 /nfs/dbraw/zinc/80/40/76/1256804076.db2.gz WOBGBWQZEUJCMZ-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592458 1266065980 /nfs/dbraw/zinc/06/59/80/1266065980.db2.gz QFCYSTMBSHPJAS-AWEZNQCLSA-N 2 0 361.494 0.101 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)ccc2c[nH+]cn21 ZINC001082610001 1256920905 /nfs/dbraw/zinc/92/09/05/1256920905.db2.gz VJJHLMJGLOSXSA-CXAGYDPISA-N 2 0 353.430 0.985 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001082798229 1257058212 /nfs/dbraw/zinc/05/82/12/1257058212.db2.gz IOXAKECOVDJRKL-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082851884 1257104172 /nfs/dbraw/zinc/10/41/72/1257104172.db2.gz HMBDBNZVSBYPKO-FHLIZLRMSA-N 2 0 362.518 0.824 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)nn1C ZINC001082923314 1257146583 /nfs/dbraw/zinc/14/65/83/1257146583.db2.gz DADOERFDAHPSMH-RVKKMQEKSA-N 2 0 363.506 0.633 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001082923545 1257147589 /nfs/dbraw/zinc/14/75/89/1257147589.db2.gz ODHXRWQRVGYORV-RVKKMQEKSA-N 2 0 361.490 0.690 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084701 1257285805 /nfs/dbraw/zinc/28/58/05/1257285805.db2.gz ACFDSSGRGDEFIN-HYVNUMGLSA-N 2 0 365.478 0.005 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001521266395 1266106979 /nfs/dbraw/zinc/10/69/79/1266106979.db2.gz NGHCLFHTDBFUNT-HYVNUMGLSA-N 2 0 358.490 0.549 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781325 1257525329 /nfs/dbraw/zinc/52/53/29/1257525329.db2.gz CDJFRUZAYHDSMD-IPELMVKDSA-N 2 0 361.486 0.741 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083833732 1257587683 /nfs/dbraw/zinc/58/76/83/1257587683.db2.gz RQHFQBXRAFDDBU-QYZOEREBSA-N 2 0 367.534 0.821 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)c1 ZINC001331115430 1266150768 /nfs/dbraw/zinc/15/07/68/1266150768.db2.gz XDPOKDXBOPALFV-LESCRADOSA-N 2 0 374.485 0.896 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCOC4)C[C@H]32)n1 ZINC001084351864 1258044297 /nfs/dbraw/zinc/04/42/97/1258044297.db2.gz BWHUZXHOSZOSBD-LZLYRXPVSA-N 2 0 361.490 0.628 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[N@H+](CCCO)C[C@H]32)CC1 ZINC001084352215 1258044306 /nfs/dbraw/zinc/04/43/06/1258044306.db2.gz YLLRWCVOVALXMO-MKXGPGLRSA-N 2 0 365.518 0.648 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001521697402 1266165204 /nfs/dbraw/zinc/16/52/04/1266165204.db2.gz IUDHIENZKQHWJM-LJQANCHMSA-N 2 0 362.474 0.414 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661694 1258225786 /nfs/dbraw/zinc/22/57/86/1258225786.db2.gz FGVDSUVKDXWUKS-CGTJXYLNSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001084702608 1258251991 /nfs/dbraw/zinc/25/19/91/1258251991.db2.gz HZDQUMDNWBZUJW-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830033 1258375235 /nfs/dbraw/zinc/37/52/35/1258375235.db2.gz HYXMHGQOBYIXKF-KZNAEPCWSA-N 2 0 356.470 0.770 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084834321 1258380888 /nfs/dbraw/zinc/38/08/88/1258380888.db2.gz VMBMMRLDKSPCCK-RCCFBDPRSA-N 2 0 361.490 0.384 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)C1CC1 ZINC001085076070 1258571982 /nfs/dbraw/zinc/57/19/82/1258571982.db2.gz IDJZLKKGPDLUGW-WBVHZDCISA-N 2 0 360.502 0.626 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)cc1=O ZINC001085076096 1258572752 /nfs/dbraw/zinc/57/27/52/1258572752.db2.gz JNLCJQWCTISKRG-MSOLQXFVSA-N 2 0 370.497 0.904 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001085204580 1258628977 /nfs/dbraw/zinc/62/89/77/1258628977.db2.gz YCWCWPKFYPEZPT-KONPQCLYSA-N 2 0 366.506 0.236 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199831 1258722553 /nfs/dbraw/zinc/72/25/53/1258722553.db2.gz DTULGIFQTFYFKV-IKGGRYGDSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658513 1258809919 /nfs/dbraw/zinc/80/99/19/1258809919.db2.gz XYVCWSIYKLOSGU-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720965 1258819110 /nfs/dbraw/zinc/81/91/10/1258819110.db2.gz ARRSQVJXRGJUCJ-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782003 1258844781 /nfs/dbraw/zinc/84/47/81/1258844781.db2.gz AKVXRASAMHSCEX-UKRRQHHQSA-N 2 0 355.442 0.911 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816719 1258852536 /nfs/dbraw/zinc/85/25/36/1258852536.db2.gz FLVIICYTYBRSBO-ZIAGYGMSSA-N 2 0 356.430 0.311 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105652365 1258921914 /nfs/dbraw/zinc/92/19/14/1258921914.db2.gz LJXDMPLJWIUKNI-VVWQDTPRSA-N 2 0 368.522 0.040 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106581401 1258926282 /nfs/dbraw/zinc/92/62/82/1258926282.db2.gz BIWKLHUVSDCIGQ-MXSMSXNCSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001106594354 1258927549 /nfs/dbraw/zinc/92/75/49/1258927549.db2.gz QGZKPWARWNYVHP-IXDOHACOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001106598024 1258927622 /nfs/dbraw/zinc/92/76/22/1258927622.db2.gz UTWBWYSADPEYJQ-HUUCEWRRSA-N 2 0 365.526 0.954 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)C1 ZINC001106666884 1258937128 /nfs/dbraw/zinc/93/71/28/1258937128.db2.gz YEIWEUPTZQKJKE-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC001331495490 1266226006 /nfs/dbraw/zinc/22/60/06/1266226006.db2.gz CNWIXLYJTGFJHM-UHFFFAOYSA-N 2 0 373.501 0.265 20 0 FCADRP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)c1 ZINC001106878545 1258985965 /nfs/dbraw/zinc/98/59/65/1258985965.db2.gz QTJNAWIDNSPMFU-HZPDHXFCSA-N 2 0 364.490 0.853 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878686 1258986005 /nfs/dbraw/zinc/98/60/05/1258986005.db2.gz XKTKLNGSHDJNSA-IXDOHACOSA-N 2 0 370.538 0.409 20 0 FCADRP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106878731 1258986148 /nfs/dbraw/zinc/98/61/48/1258986148.db2.gz ZPDNXSNAVPOVLY-HUUCEWRRSA-N 2 0 367.494 0.955 20 0 FCADRP CCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106882469 1258987590 /nfs/dbraw/zinc/98/75/90/1258987590.db2.gz WKGVZQYSQYQRJM-QLFBSQMISA-N 2 0 367.494 0.955 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106898909 1258993023 /nfs/dbraw/zinc/99/30/23/1258993023.db2.gz SYYZJUJHMYEXJA-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)on1 ZINC001106983110 1259010747 /nfs/dbraw/zinc/01/07/47/1259010747.db2.gz UOIVLVXPYVUESI-VHDGCEQUSA-N 2 0 363.462 0.557 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001106986491 1259011622 /nfs/dbraw/zinc/01/16/22/1259011622.db2.gz RHNWCXUJJORQNU-FGTMMUONSA-N 2 0 363.506 0.536 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107036157 1259022298 /nfs/dbraw/zinc/02/22/98/1259022298.db2.gz FXUGGFIYWQLUNS-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042427 1259024428 /nfs/dbraw/zinc/02/44/28/1259024428.db2.gz MFVFOHKTPWXXBW-IXDOHACOSA-N 2 0 370.538 0.552 20 0 FCADRP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439042 1259087825 /nfs/dbraw/zinc/08/78/25/1259087825.db2.gz PAGKAMNSKRKPRJ-ZIFCJYIRSA-N 2 0 360.506 0.979 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)CC1 ZINC001107521147 1259107568 /nfs/dbraw/zinc/10/75/68/1259107568.db2.gz OLWXAWMJSROUKZ-VQIMIIECSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107609147 1259131838 /nfs/dbraw/zinc/13/18/38/1259131838.db2.gz FHRSIEJTPREZFV-VQIMIIECSA-N 2 0 366.506 0.204 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12 ZINC001107622953 1259135383 /nfs/dbraw/zinc/13/53/83/1259135383.db2.gz JNHPMKXQMYLMEK-VQIMIIECSA-N 2 0 361.490 0.802 20 0 FCADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570750 1259180168 /nfs/dbraw/zinc/18/01/68/1259180168.db2.gz DYFARJBOPOQTNI-IKGGRYGDSA-N 2 0 366.506 0.060 20 0 FCADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570980 1259180496 /nfs/dbraw/zinc/18/04/96/1259180496.db2.gz IVQFGAYWSAZPEV-IKGGRYGDSA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571651 1259181719 /nfs/dbraw/zinc/18/17/19/1259181719.db2.gz VYDGWWLHCQORTP-KYJSFNMBSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653233 1259183953 /nfs/dbraw/zinc/18/39/53/1259183953.db2.gz OLJNXENHEZLHTG-RRFJBIMHSA-N 2 0 364.494 0.837 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001127707147 1259184060 /nfs/dbraw/zinc/18/40/60/1259184060.db2.gz VVGNPOYWSNNUNL-UONOGXRCSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC001127653063 1259184838 /nfs/dbraw/zinc/18/48/38/1259184838.db2.gz KDYNIDCVLWUGSI-DJIMGWMZSA-N 2 0 367.465 0.749 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC001331590616 1266244825 /nfs/dbraw/zinc/24/48/25/1266244825.db2.gz QVCVLURFKPFUOE-YESZJQIVSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129032329 1259294499 /nfs/dbraw/zinc/29/44/99/1259294499.db2.gz NHWSRWLYIOQJQA-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049019 1259299297 /nfs/dbraw/zinc/29/92/97/1259299297.db2.gz OKLSAVQGIQACEP-XHSDSOJGSA-N 2 0 364.494 0.265 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089640 1259309761 /nfs/dbraw/zinc/30/97/61/1259309761.db2.gz MNBHHYAAEUGORT-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001129210682 1259346466 /nfs/dbraw/zinc/34/64/66/1259346466.db2.gz TXAUBALYSXSHNS-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228313 1259349962 /nfs/dbraw/zinc/34/99/62/1259349962.db2.gz NFWBRGTVCWSEAX-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001331655464 1266259737 /nfs/dbraw/zinc/25/97/37/1266259737.db2.gz BWFHGISVELPKLJ-HDICACEKSA-N 2 0 358.486 0.883 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459983 1259513898 /nfs/dbraw/zinc/51/38/98/1259513898.db2.gz CBKCMQUWWBFKGQ-BRWVUGGUSA-N 2 0 369.506 0.197 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461137 1259515147 /nfs/dbraw/zinc/51/51/47/1259515147.db2.gz RLEWNKDDRMDIST-IAGOWNOFSA-N 2 0 371.522 0.587 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216230048 1259537091 /nfs/dbraw/zinc/53/70/91/1259537091.db2.gz WLZKGGWXBIOKCQ-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001331695325 1266266667 /nfs/dbraw/zinc/26/66/67/1266266667.db2.gz QSJGBJDGYXGPQX-ZWKOTPCHSA-N 2 0 373.501 0.892 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCN4CC[NH2+]C[C@H]4C3)cnc12 ZINC001234981093 1259565515 /nfs/dbraw/zinc/56/55/15/1259565515.db2.gz VLSSKVNNCVAHLW-KRWDZBQOSA-N 2 0 355.490 0.286 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235330240 1259570889 /nfs/dbraw/zinc/57/08/89/1259570889.db2.gz MKMVWFZNJXWSAE-YTQUADARSA-N 2 0 358.486 0.822 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235330133 1259571143 /nfs/dbraw/zinc/57/11/43/1259571143.db2.gz KQMKYQJBTMVJHB-SLFFLAALSA-N 2 0 372.513 0.817 20 0 FCADRP COC(=O)c1cccc2c(CN3CC[NH2+]CCNCC[NH2+]CC3)c[nH]c21 ZINC001235869560 1259582546 /nfs/dbraw/zinc/58/25/46/1259582546.db2.gz DZGJYOCYNFWWKB-UHFFFAOYSA-N 2 0 359.474 0.539 20 0 FCADRP c1ccc(C[NH+]2CCC(CN3CC[NH2+]CCNCC[NH2+]CC3)CC2)cc1 ZINC001235870158 1259582919 /nfs/dbraw/zinc/58/29/19/1259582919.db2.gz OITFHUJQDKFIKY-UHFFFAOYSA-N 3 0 359.562 0.983 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]1C2 ZINC001236025988 1259586885 /nfs/dbraw/zinc/58/68/85/1259586885.db2.gz HEDCFPAMRJQXNG-OLMMMNRUSA-N 2 0 368.441 0.697 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnn(-c2ccc(F)cc2)c1 ZINC001236308304 1259588307 /nfs/dbraw/zinc/58/83/07/1259588307.db2.gz IURYSBNHXRQWEE-UHFFFAOYSA-N 2 0 362.453 0.627 20 0 FCADRP COc1cccc2c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccnc12 ZINC001236311358 1259588416 /nfs/dbraw/zinc/58/84/16/1259588416.db2.gz JGRLAXRGBBAYDN-UHFFFAOYSA-N 2 0 359.474 0.859 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCOCCOCc1ccccc1 ZINC001236307458 1259589212 /nfs/dbraw/zinc/58/92/12/1259589212.db2.gz BZTIIIGNTGXQIY-UHFFFAOYSA-N 2 0 366.506 0.336 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(Oc2ncccn2)c1 ZINC001236307228 1259589295 /nfs/dbraw/zinc/58/92/95/1259589295.db2.gz DMZQEPCPRGDEQM-UHFFFAOYSA-N 2 0 372.473 0.885 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc2c1OCC=C2 ZINC001236314756 1259589355 /nfs/dbraw/zinc/58/93/55/1259589355.db2.gz NVWGKEVJOLYZSF-UHFFFAOYSA-N 2 0 362.474 0.717 20 0 FCADRP Cn1ccc(-c2ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc2)n1 ZINC001236313839 1259589382 /nfs/dbraw/zinc/58/93/82/1259589382.db2.gz AIGPJEYMMHIZNJ-UHFFFAOYSA-N 2 0 358.490 0.703 20 0 FCADRP c1c(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)nc2n1CCNC2 ZINC001236398848 1259590942 /nfs/dbraw/zinc/59/09/42/1259590942.db2.gz KDCBQZYLAMEQMF-UHFFFAOYSA-N 2 0 362.522 0.120 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333769 1259609536 /nfs/dbraw/zinc/60/95/36/1259609536.db2.gz NOXDXHOLCALAOH-IAGOWNOFSA-N 2 0 368.522 0.801 20 0 FCADRP COC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239214917 1259622495 /nfs/dbraw/zinc/62/24/95/1259622495.db2.gz IQVZQWVIXNMALY-IRXDYDNUSA-N 2 0 374.485 0.944 20 0 FCADRP COc1ccc(OC)c(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239295162 1259624653 /nfs/dbraw/zinc/62/46/53/1259624653.db2.gz GEXGRJFLZFEGAQ-UHFFFAOYSA-N 2 0 367.450 0.352 20 0 FCADRP COc1cccc([C@H](C)NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239300644 1259625015 /nfs/dbraw/zinc/62/50/15/1259625015.db2.gz YZHMEJJMHMAUQX-AWEZNQCLSA-N 2 0 365.478 0.582 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335367519 1259627265 /nfs/dbraw/zinc/62/72/65/1259627265.db2.gz NGUZTKLJPLCUCL-MAUKXSAKSA-N 2 0 364.490 0.610 20 0 FCADRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384212 1259636991 /nfs/dbraw/zinc/63/69/91/1259636991.db2.gz LKNCIDHJTQBCLM-KRWDZBQOSA-N 2 0 355.504 0.351 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384625 1259637282 /nfs/dbraw/zinc/63/72/82/1259637282.db2.gz PEJSOCPYJUTOIH-YJBOKZPZSA-N 2 0 369.531 0.739 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245978753 1259641117 /nfs/dbraw/zinc/64/11/17/1259641117.db2.gz DYGFJGJUUSMHHU-FHLIZLRMSA-N 3 0 369.456 0.944 20 0 FCADRP CCOC(=O)[C@H]1NC[C@@H]2[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC001245978943 1259641288 /nfs/dbraw/zinc/64/12/88/1259641288.db2.gz QDVFTDCDXVPSTR-ZUQJMZMUSA-N 2 0 361.486 0.437 20 0 FCADRP O=C(c1ccccc1NC[C@H](O)CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001245962388 1259641381 /nfs/dbraw/zinc/64/13/81/1259641381.db2.gz XNIBPIPVGVKWHU-OAHLLOKOSA-N 2 0 362.474 0.009 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246019839 1259643416 /nfs/dbraw/zinc/64/34/16/1259643416.db2.gz ATVUHFQWCFIMRS-ZWKOTPCHSA-N 3 0 369.456 0.898 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246004278 1259643550 /nfs/dbraw/zinc/64/35/50/1259643550.db2.gz KMLAXOUMDFDLOS-NZSAHSFTSA-N 3 0 368.472 0.611 20 0 FCADRP O[C@H](C[NH2+]CC1(c2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245994897 1259643751 /nfs/dbraw/zinc/64/37/51/1259643751.db2.gz FVEONBIHCQJUKH-SFHVURJKSA-N 3 0 365.493 0.902 20 0 FCADRP O[C@@H](C[NH2+]CC1(Cc2cccnc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246010760 1259643814 /nfs/dbraw/zinc/64/38/14/1259643814.db2.gz ZEUAWGDMMDUYKB-GOSISDBHSA-N 3 0 362.518 0.449 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001245987488 1259644018 /nfs/dbraw/zinc/64/40/18/1259644018.db2.gz ZOOUKAYCRXQCFJ-MANSERQUSA-N 2 0 369.456 0.944 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246006522 1259644391 /nfs/dbraw/zinc/64/43/91/1259644391.db2.gz WUVMSVFFFLOVSV-IPMKNSEASA-N 3 0 363.502 0.828 20 0 FCADRP C[NH+](C)CCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246057801 1259646877 /nfs/dbraw/zinc/64/68/77/1259646877.db2.gz HKWPJILSGHDYHV-GBESFXJTSA-N 3 0 370.488 0.811 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@]1(O)CCC[NH2+]C1)C2 ZINC001246037377 1259646988 /nfs/dbraw/zinc/64/69/88/1259646988.db2.gz SEYYOBCCIWMQQD-FFZOFVMBSA-N 2 0 365.518 0.746 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@@]4(C3)C[NH2+]CCOC4)C[C@H](C1)[NH2+]2 ZINC001246147308 1259647502 /nfs/dbraw/zinc/64/75/02/1259647502.db2.gz XOPQFYHVKARHLE-NJGHQYNVSA-N 3 0 367.490 0.043 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001246129608 1259648742 /nfs/dbraw/zinc/64/87/42/1259648742.db2.gz GFHBCTGSQYDEKF-ZIAGYGMSSA-N 2 0 374.489 0.334 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+][C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246233296 1259651497 /nfs/dbraw/zinc/65/14/97/1259651497.db2.gz ZWUGLDXGDQFLJV-XHSDSOJGSA-N 2 0 369.506 0.970 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@H]3CNCCN3)CC2=O)c(OC)c1 ZINC001246489773 1259653567 /nfs/dbraw/zinc/65/35/67/1259653567.db2.gz ATSYSWKGEHBRMA-JKSUJKDBSA-N 2 0 362.474 0.346 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246512044 1259653673 /nfs/dbraw/zinc/65/36/73/1259653673.db2.gz LARKZMGUNCQUEU-HNNXBMFYSA-N 2 0 373.494 0.875 20 0 FCADRP O=C([C@@H]1C[C@H](N2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246625035 1259657836 /nfs/dbraw/zinc/65/78/36/1259657836.db2.gz QUPDYDGTFDAFCL-BZSNNMDCSA-N 2 0 372.538 0.939 20 0 FCADRP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605572 1259658050 /nfs/dbraw/zinc/65/80/50/1259658050.db2.gz VGBGVZWWVKNHLU-HRCADAONSA-N 2 0 367.490 0.677 20 0 FCADRP Cn1ncc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2COc1cccnc1 ZINC001246696260 1259661074 /nfs/dbraw/zinc/66/10/74/1259661074.db2.gz QYKFFRFVHZHURK-HOTGVXAUSA-N 2 0 368.485 0.887 20 0 FCADRP c1cnc(N([C@@H]2COC3(C2)CC[NH2+]CC3)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246704186 1259664259 /nfs/dbraw/zinc/66/42/59/1259664259.db2.gz LOSRQNSTJWPFCX-CVEARBPZSA-N 2 0 358.490 0.288 20 0 FCADRP O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711751 1259666016 /nfs/dbraw/zinc/66/60/16/1259666016.db2.gz WYFGJFAWRHXFAP-JKSUJKDBSA-N 2 0 358.490 0.031 20 0 FCADRP Fc1cccnc1N([C@@H]1CO[C@]2(CC[NH2+]C2)C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246710340 1259666804 /nfs/dbraw/zinc/66/68/04/1259666804.db2.gz URBOZKNMVUQZPC-ZRGWGRIASA-N 2 0 361.465 0.642 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246728052 1259671203 /nfs/dbraw/zinc/67/12/03/1259671203.db2.gz JZDYRDZVTRPEQR-JWTNVVGKSA-N 3 0 363.550 0.440 20 0 FCADRP c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246737422 1259671998 /nfs/dbraw/zinc/67/19/98/1259671998.db2.gz PYAANVAMQVMTNP-FCGDIQPGSA-N 2 0 358.486 0.924 20 0 FCADRP c1cncc(CO[C@@H]2C[C@@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)c1 ZINC001246735563 1259672405 /nfs/dbraw/zinc/67/24/05/1259672405.db2.gz UPIMBCFDTJZWJY-IPMKNSEASA-N 2 0 357.502 0.451 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737570 1259672448 /nfs/dbraw/zinc/67/24/48/1259672448.db2.gz JLWGXBMQIBGTOX-XWSJACJDSA-N 2 0 373.549 0.545 20 0 FCADRP O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246734510 1259673395 /nfs/dbraw/zinc/67/33/95/1259673395.db2.gz OILJEHDYBBKLDN-DZOHQFGASA-N 2 0 374.485 0.612 20 0 FCADRP CC[C@H]1[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246733619 1259673720 /nfs/dbraw/zinc/67/37/20/1259673720.db2.gz LHUVMFJNKUOAQA-HLIPFELVSA-N 2 0 364.534 0.962 20 0 FCADRP c1ccc(N2CCOC3(CC[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC3)C2)nc1 ZINC001246739856 1259673986 /nfs/dbraw/zinc/67/39/86/1259673986.db2.gz RVLDXSNKDVMGBE-KRWDZBQOSA-N 2 0 357.502 0.847 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NCC1CC1 ZINC001246738789 1259674563 /nfs/dbraw/zinc/67/45/63/1259674563.db2.gz GNAOHJLPYBTWQJ-TVFCKZIOSA-N 2 0 362.518 0.191 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21)c1ccnnc1 ZINC001246739810 1259675697 /nfs/dbraw/zinc/67/56/97/1259675697.db2.gz LAOGLBRXZRNSCQ-RVMBUKDFSA-N 2 0 371.485 0.826 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NC1CCC1 ZINC001246745681 1259676913 /nfs/dbraw/zinc/67/69/13/1259676913.db2.gz GSMGIEGDJSBHON-LMSBXDPUSA-N 2 0 362.518 0.334 20 0 FCADRP Cc1ccc(N([C@H]2CO[C@@]3(C2)CCC[NH2+]C3)[C@@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246750609 1259678967 /nfs/dbraw/zinc/67/89/67/1259678967.db2.gz FUUIHHFNORILHI-MBOZVWFJSA-N 2 0 372.517 0.597 20 0 FCADRP O=C(C[C@H]1OC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NC1CCC1 ZINC001246749652 1259680486 /nfs/dbraw/zinc/68/04/86/1259680486.db2.gz REGSWBIUVPOGEQ-BZZMCLGOSA-N 2 0 362.518 0.476 20 0 FCADRP c1cc(COC[C@]23COC[C@H]2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)ccn1 ZINC001246755050 1259682240 /nfs/dbraw/zinc/68/22/40/1259682240.db2.gz SMBSTUCZTPOHSN-GUDVDZBRSA-N 2 0 358.486 0.641 20 0 FCADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246756946 1259682258 /nfs/dbraw/zinc/68/22/58/1259682258.db2.gz UDXOSUIARRYGFA-HTUJPFKRSA-N 2 0 358.534 0.845 20 0 FCADRP c1cnc(N2CCC[C@@]3(C2)C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756214 1259683021 /nfs/dbraw/zinc/68/30/21/1259683021.db2.gz MUQJVBUYKIKVMP-APWZRJJASA-N 2 0 358.490 0.242 20 0 FCADRP O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765382 1259684519 /nfs/dbraw/zinc/68/45/19/1259684519.db2.gz JMQLBAYIUXWIOH-MAUKXSAKSA-N 2 0 356.474 0.390 20 0 FCADRP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)ncn1 ZINC001246771572 1259686588 /nfs/dbraw/zinc/68/65/88/1259686588.db2.gz VFVYEYMCPVWBIL-HNNXBMFYSA-N 2 0 370.505 0.643 20 0 FCADRP O=C(Nc1cccnc1)c1noc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767524 1259686947 /nfs/dbraw/zinc/68/69/47/1259686947.db2.gz RMRNZJDWDGJMPK-AWEZNQCLSA-N 2 0 368.441 0.774 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1=O ZINC001335498706 1259687712 /nfs/dbraw/zinc/68/77/12/1259687712.db2.gz QWPFASLNGDGYOU-IAGOWNOFSA-N 2 0 353.438 0.628 20 0 FCADRP C(c1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCCCC1 ZINC001246770325 1259687760 /nfs/dbraw/zinc/68/77/60/1259687760.db2.gz YHGIWTHPKSZEJG-MRXNPFEDSA-N 2 0 359.522 0.216 20 0 FCADRP O=C(c1ccccc1)N1CCC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246822098 1259691378 /nfs/dbraw/zinc/69/13/78/1259691378.db2.gz QXPBVNJJYALPCX-FQEVSTJZSA-N 2 0 373.545 0.766 20 0 FCADRP NC(=O)c1cc2cc(N3CC[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC3)ccc2o1 ZINC001246886643 1259692675 /nfs/dbraw/zinc/69/26/75/1259692675.db2.gz HSLYIZZYNFNFSB-INIZCTEOSA-N 2 0 369.469 0.748 20 0 FCADRP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C2 ZINC001246919040 1259694464 /nfs/dbraw/zinc/69/44/64/1259694464.db2.gz IPBLZYJTCXUYGE-MUJYYYPQSA-N 2 0 369.510 0.254 20 0 FCADRP CC[C@@H](Cc1ccc2c(c1)OCO2)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246924339 1259694807 /nfs/dbraw/zinc/69/48/07/1259694807.db2.gz IAWGCWZBMLOJFU-INIZCTEOSA-N 2 0 364.490 0.852 20 0 FCADRP C[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001246923217 1259695488 /nfs/dbraw/zinc/69/54/88/1259695488.db2.gz BKSPLOQHCWJHCO-MJGOQNOKSA-N 3 0 361.534 0.765 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[C@@]4(C(=O)OC)CC[NH2+][C@H]4C3)C[C@H](C1)[NH2+]2 ZINC001246988705 1259697741 /nfs/dbraw/zinc/69/77/41/1259697741.db2.gz PXKLHJFAPOMOQD-GZUQPEOESA-N 2 0 365.474 0.286 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)C1C[C@@H]2COC[C@H](C1)N2 ZINC001246945264 1259697900 /nfs/dbraw/zinc/69/79/00/1259697900.db2.gz WSFBJKVLHPNWEJ-YOFSQIOKSA-N 2 0 366.550 0.530 20 0 FCADRP COCCOc1ccccc1N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247003960 1259698239 /nfs/dbraw/zinc/69/82/39/1259698239.db2.gz NGSFGNLCFSPUTR-KRWDZBQOSA-N 2 0 360.502 0.928 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005756 1259698342 /nfs/dbraw/zinc/69/83/42/1259698342.db2.gz GGNSKEABLURJGA-KKUMJFAQSA-N 2 0 367.490 0.533 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[NH2+]CC45C[NH2+]C5)n3)cc2)CC1 ZINC001247832267 1259704630 /nfs/dbraw/zinc/70/46/30/1259704630.db2.gz XDWOEUZPHIRTOH-INIZCTEOSA-N 3 0 354.458 0.765 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@@H]4COC5(C[NH2+]C5)CN4)n3)c2)CC1 ZINC001247854227 1259706723 /nfs/dbraw/zinc/70/67/23/1259706723.db2.gz FGVBHIHXPMDGJY-INIZCTEOSA-N 2 0 370.457 0.491 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(COCCOCC[NH3+])n2)CC1 ZINC001248345389 1259709415 /nfs/dbraw/zinc/70/94/15/1259709415.db2.gz HINAYDGZEVPLKA-UHFFFAOYSA-N 2 0 361.446 0.980 20 0 FCADRP C[C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]1CC[NH3+] ZINC001335554430 1259713357 /nfs/dbraw/zinc/71/33/57/1259713357.db2.gz MWWSSLJDULDQQA-MCIONIFRSA-N 2 0 365.444 0.981 20 0 FCADRP C[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001249265415 1259721818 /nfs/dbraw/zinc/72/18/18/1259721818.db2.gz IPTDYNYDKCPQRC-CYBMUJFWSA-N 2 0 358.446 0.447 20 0 FCADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016579 1259730546 /nfs/dbraw/zinc/73/05/46/1259730546.db2.gz XVLQBACUJVUOFT-UFYCRDLUSA-N 2 0 367.534 0.360 20 0 FCADRP C[N@@H+]1CCCN(CC[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251341490 1259744497 /nfs/dbraw/zinc/74/44/97/1259744497.db2.gz BTTWDBSHOHWBRU-IBGZPJMESA-N 2 0 370.538 0.976 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC001251987542 1259772048 /nfs/dbraw/zinc/77/20/48/1259772048.db2.gz OWVOMVDYEWBDDE-LJQANCHMSA-N 2 0 374.529 0.890 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335715171 1259801403 /nfs/dbraw/zinc/80/14/03/1259801403.db2.gz NEQZHYIALHLZFQ-UHFFFAOYSA-N 2 0 355.479 0.082 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC001253038995 1259819123 /nfs/dbraw/zinc/81/91/23/1259819123.db2.gz WIYNCVPFMGNWHY-LJQANCHMSA-N 2 0 365.518 0.842 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181596 1259825905 /nfs/dbraw/zinc/82/59/05/1259825905.db2.gz FVHUUDBINHIKSU-QZTJIDSGSA-N 2 0 365.518 0.816 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184607 1259826905 /nfs/dbraw/zinc/82/69/05/1259826905.db2.gz HEQYGRDXUPKTKT-APWZRJJASA-N 2 0 368.522 0.092 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001253390382 1259838058 /nfs/dbraw/zinc/83/80/58/1259838058.db2.gz OAKGFLGHUJPTJC-AHCXZYCDSA-N 2 0 367.534 0.989 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001335821407 1259856548 /nfs/dbraw/zinc/85/65/48/1259856548.db2.gz XSCSBQLFGKOMIE-MSOLQXFVSA-N 2 0 353.507 0.575 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523395 1259890312 /nfs/dbraw/zinc/89/03/12/1259890312.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 2 0 366.550 0.973 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCN(C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001256201311 1259935903 /nfs/dbraw/zinc/93/59/03/1259935903.db2.gz DQVQUUHFLFOTTP-ROUUACIJSA-N 2 0 360.502 0.908 20 0 FCADRP CNC(=O)[C@H](CCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1)NC(C)=O ZINC001256687369 1259957372 /nfs/dbraw/zinc/95/73/72/1259957372.db2.gz TWCYOCSGBNDENI-ABHNRTSZSA-N 2 0 368.522 0.640 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862315 1259975719 /nfs/dbraw/zinc/97/57/19/1259975719.db2.gz CDKBGQGIZLRELZ-RTBURBONSA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)C1 ZINC001336119175 1259994876 /nfs/dbraw/zinc/99/48/76/1259994876.db2.gz PKNWHQXWAOPNBM-KRWDZBQOSA-N 2 0 372.513 0.916 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001336135528 1260002713 /nfs/dbraw/zinc/00/27/13/1260002713.db2.gz ZWDYAZFFUIFXEI-ZFWWWQNUSA-N 2 0 363.428 0.750 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257724691 1260026186 /nfs/dbraw/zinc/02/61/86/1260026186.db2.gz SFXYYQHERGPXIP-JIOXDANUSA-N 2 0 372.462 0.432 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1)N(O)N=O ZINC001258577846 1260055138 /nfs/dbraw/zinc/05/51/38/1260055138.db2.gz HWBZWHDTQZIZMO-MRXNPFEDSA-N 2 0 364.450 0.706 20 0 FCADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001258902880 1260057307 /nfs/dbraw/zinc/05/73/07/1260057307.db2.gz IFADLYBWKYTMJI-HNNXBMFYSA-N 2 0 367.494 0.474 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC001261134354 1260081916 /nfs/dbraw/zinc/08/19/16/1260081916.db2.gz TUDKCMYJZCYHNL-SIXLDLHFSA-N 2 0 366.506 0.079 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515737 1260153788 /nfs/dbraw/zinc/15/37/88/1260153788.db2.gz RMRTYXLGZWUMOU-BRWVUGGUSA-N 2 0 366.506 0.333 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001336713346 1260207697 /nfs/dbraw/zinc/20/76/97/1260207697.db2.gz PBOOUEPDXMWVNZ-KRWDZBQOSA-N 2 0 368.522 0.897 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891847 1260208167 /nfs/dbraw/zinc/20/81/67/1260208167.db2.gz REARYCMCYOWVPV-CHWSQXEVSA-N 2 0 358.442 0.421 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1=O ZINC001336829535 1260232842 /nfs/dbraw/zinc/23/28/42/1260232842.db2.gz DBDFIFXODVUGCW-XJKSGUPXSA-N 2 0 371.428 0.767 20 0 FCADRP CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336857381 1260238680 /nfs/dbraw/zinc/23/86/80/1260238680.db2.gz CVAVIBAGOAGJSO-VVLHAWIVSA-N 2 0 363.506 0.511 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)c1 ZINC001262059582 1260252865 /nfs/dbraw/zinc/25/28/65/1260252865.db2.gz CQPHYNOHLIGYQT-XYJFISCASA-N 2 0 372.469 0.521 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C(F)(F)F ZINC001336925632 1260255016 /nfs/dbraw/zinc/25/50/16/1260255016.db2.gz CXZLUFAAHFTXDQ-QJPTWQEYSA-N 2 0 350.385 0.676 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001336961847 1260269738 /nfs/dbraw/zinc/26/97/38/1260269738.db2.gz ULELHOBHDDCFPZ-BZUAXINKSA-N 2 0 351.495 0.085 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001336994577 1260279212 /nfs/dbraw/zinc/27/92/12/1260279212.db2.gz HQDOUHBHVHCQLV-UHFFFAOYSA-N 2 0 352.442 0.713 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337016927 1260286063 /nfs/dbraw/zinc/28/60/63/1260286063.db2.gz YPWFVLBXYIBKEQ-DLBZAZTESA-N 2 0 353.511 0.224 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001337052302 1260296280 /nfs/dbraw/zinc/29/62/80/1260296280.db2.gz IXANJOTZAOOTBW-HUUCEWRRSA-N 2 0 364.494 0.421 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001263942635 1260358102 /nfs/dbraw/zinc/35/81/02/1260358102.db2.gz XYUNRBFEKSCSPP-JCGIZDLHSA-N 2 0 363.506 0.681 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC001337440947 1260402000 /nfs/dbraw/zinc/40/20/00/1260402000.db2.gz NYHRBODOLVTXBC-QGZVFWFLSA-N 2 0 373.501 0.394 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4ccc5c[nH+]cn5c4)CC3)[C@H]2C1 ZINC001272745909 1260497314 /nfs/dbraw/zinc/49/73/14/1260497314.db2.gz UGHAVMGNEFYGFD-HOTGVXAUSA-N 2 0 353.426 0.617 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC4(C3)CC[N@@H+](C)C4)CC2)CC1 ZINC001272922923 1260529184 /nfs/dbraw/zinc/52/91/84/1260529184.db2.gz ADGMNKQOPWGTDY-UHFFFAOYSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1N1CC[NH+](C)CC1 ZINC001332119177 1266340192 /nfs/dbraw/zinc/34/01/92/1266340192.db2.gz IXMGADDBOFXOOJ-HOTGVXAUSA-N 2 0 357.458 0.258 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273257324 1260638778 /nfs/dbraw/zinc/63/87/78/1260638778.db2.gz ZPWFQKUEYPUCTH-ICSRJNTNSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001273272240 1260643990 /nfs/dbraw/zinc/64/39/90/1260643990.db2.gz FSMMCSGFVXBRNI-WBVHZDCISA-N 2 0 362.518 0.729 20 0 FCADRP COc1ncnc(OC)c1C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277761211 1260667217 /nfs/dbraw/zinc/66/72/17/1260667217.db2.gz AVRQHGFKHQTBOU-SFHVURJKSA-N 2 0 363.462 0.480 20 0 FCADRP CCCCOC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778681 1260669920 /nfs/dbraw/zinc/66/99/20/1260669920.db2.gz RBOXWCGMTCLLIY-MJGOQNOKSA-N 2 0 371.522 0.277 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](Cc3cn4c(n3)COCC4)C[C@H]2CC1 ZINC001278797808 1260733833 /nfs/dbraw/zinc/73/38/33/1260733833.db2.gz RTJILTOHSIJGBD-IYBDPMFKSA-N 2 0 361.490 0.645 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279354974 1260847251 /nfs/dbraw/zinc/84/72/51/1260847251.db2.gz JQMWBZLGGZHZSL-IBGZPJMESA-N 2 0 362.522 0.447 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332251636 1266366669 /nfs/dbraw/zinc/36/66/69/1266366669.db2.gz DKSFVIZJPRBWTG-ROUUACIJSA-N 2 0 356.470 0.861 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(CN(C(=O)c4cccc(=O)n4C)C3)C2)CC1 ZINC001279498273 1260880330 /nfs/dbraw/zinc/88/03/30/1260880330.db2.gz BGZJGFRBDJQFNS-UHFFFAOYSA-N 2 0 358.486 0.875 20 0 FCADRP C[NH+](C)CCN1CCN(C[C@H]2CCC[N@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501456 1260880701 /nfs/dbraw/zinc/88/07/01/1260880701.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 2 0 365.566 0.546 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001279509348 1260882305 /nfs/dbraw/zinc/88/23/05/1260882305.db2.gz YVPOBGMWUBBRJY-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP O=C(Cn1cccnc1=O)N1CC2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001279616145 1260899738 /nfs/dbraw/zinc/89/97/38/1260899738.db2.gz WFFWHLNTIKWREU-UHFFFAOYSA-N 2 0 359.474 0.167 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCOC4)CC3)[C@H]2C1 ZINC001279617951 1260901296 /nfs/dbraw/zinc/90/12/96/1260901296.db2.gz NKNNPMNXAICUJJ-BZSNNMDCSA-N 2 0 364.534 0.487 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001332288695 1266370909 /nfs/dbraw/zinc/37/09/09/1266370909.db2.gz QCASBKZUYGEBRB-KURKYZTESA-N 2 0 358.486 0.521 20 0 FCADRP C[C@H]1C[C@H]1C[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825485 1260939221 /nfs/dbraw/zinc/93/92/21/1260939221.db2.gz XRZRQRLMZCEEPO-ZFWWWQNUSA-N 2 0 361.494 0.981 20 0 FCADRP C[C@H](NC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]12)c1ncc[nH]1 ZINC001280125508 1261010579 /nfs/dbraw/zinc/01/05/79/1261010579.db2.gz KXZSJURLBVVGRW-AEGPPILISA-N 2 0 360.462 0.615 20 0 FCADRP C[NH+]1CCC(CN2Cc3n[nH]c(C(=O)NC4CC[NH+](C)CC4)c3C2)CC1 ZINC001280126205 1261011198 /nfs/dbraw/zinc/01/11/98/1261011198.db2.gz SNTWUGGCDIZEOH-UHFFFAOYSA-N 2 0 360.506 0.891 20 0 FCADRP O=C(c1noc2c1C[N@H+](CC1CC[NH2+]CC1)CC2)N1CC2(CC(O)C2)C1 ZINC001280134235 1261012762 /nfs/dbraw/zinc/01/27/62/1261012762.db2.gz AWAJAGLROSZFMC-UHFFFAOYSA-N 2 0 360.458 0.629 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](C[C@H]2CCCOC2)C3)CC1 ZINC001280135515 1261013029 /nfs/dbraw/zinc/01/30/29/1261013029.db2.gz JIZLZGVDSCMTMR-AEFFLSMTSA-N 2 0 365.518 0.962 20 0 FCADRP COCCN(C)C(=O)c1nnc2n1CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)C2 ZINC001280134692 1261013240 /nfs/dbraw/zinc/01/32/40/1261013240.db2.gz FJJSSAOEWPQWIM-AWEZNQCLSA-N 2 0 364.494 0.243 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]23)CC1 ZINC001280202878 1261031234 /nfs/dbraw/zinc/03/12/34/1261031234.db2.gz AYAFHDPLEFTYNF-IXDOHACOSA-N 2 0 364.490 0.795 20 0 FCADRP C[NH+](C)CCN1CC2(C1)CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)O2 ZINC001280220347 1261038185 /nfs/dbraw/zinc/03/81/85/1261038185.db2.gz AJAYAEBZEVLDSN-INIZCTEOSA-N 2 0 364.494 0.178 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)CC1 ZINC001280250819 1261041781 /nfs/dbraw/zinc/04/17/81/1261041781.db2.gz RISYNEXRGWIRMB-GOSISDBHSA-N 2 0 365.518 0.819 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259443 1261043399 /nfs/dbraw/zinc/04/33/99/1261043399.db2.gz ONGARQPFRRNBLN-IDCNUPLLSA-N 2 0 361.490 0.847 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001332340412 1266381664 /nfs/dbraw/zinc/38/16/64/1266381664.db2.gz WWXSQTPMWAFYIA-LSDHHAIUSA-N 2 0 361.490 0.927 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332341732 1266382224 /nfs/dbraw/zinc/38/22/24/1266382224.db2.gz RJVMSAIXXCCGJM-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC001332364309 1266386904 /nfs/dbraw/zinc/38/69/04/1266386904.db2.gz FDAGJWMFFTZNLR-QGZVFWFLSA-N 2 0 373.501 0.896 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C)[NH+](C)C ZINC001282392506 1261442861 /nfs/dbraw/zinc/44/28/61/1261442861.db2.gz DEPFYFHXTAESLJ-PVAVHDDUSA-N 2 0 368.522 0.543 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001345100683 1261635007 /nfs/dbraw/zinc/63/50/07/1261635007.db2.gz VCMJJPLAUHWATJ-INIZCTEOSA-N 2 0 358.442 0.804 20 0 FCADRP [NH3+]CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001580317663 1278118142 /nfs/dbraw/zinc/11/81/42/1278118142.db2.gz CJUYXAIWBWHAQR-AWEZNQCLSA-N 2 0 370.461 0.559 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580329226 1278128971 /nfs/dbraw/zinc/12/89/71/1278128971.db2.gz JNWONYJFXWOHEB-BRXULGCHSA-N 2 0 370.461 0.283 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001290532119 1262465147 /nfs/dbraw/zinc/46/51/47/1262465147.db2.gz DWYVWKGREPIWCS-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001476679258 1263071036 /nfs/dbraw/zinc/07/10/36/1263071036.db2.gz FZROGIUOTPDPQT-CVEARBPZSA-N 2 0 364.494 0.944 20 0 FCADRP NC(=O)Cn1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC001308344371 1263216416 /nfs/dbraw/zinc/21/64/16/1263216416.db2.gz HEEIWQAAQCEVNE-QGZVFWFLSA-N 2 0 358.446 0.010 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479564604 1263255670 /nfs/dbraw/zinc/25/56/70/1263255670.db2.gz PAYJJGVETFHSLQ-HIFRSBDPSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1nnc2n1CCC2 ZINC001311751436 1263262202 /nfs/dbraw/zinc/26/22/02/1263262202.db2.gz ANLXTJOMIWPJPS-RRFJBIMHSA-N 2 0 363.510 0.666 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001312055408 1263270021 /nfs/dbraw/zinc/27/00/21/1263270021.db2.gz PMWIOFQNDXUNDJ-ZIFCJYIRSA-N 2 0 368.522 0.776 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001316614964 1263385903 /nfs/dbraw/zinc/38/59/03/1263385903.db2.gz KIXKDWCLJBDBAW-LJISPDSOSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCCO3)CCC2)CC[N@@H+]1C ZINC001484634342 1263481754 /nfs/dbraw/zinc/48/17/54/1263481754.db2.gz LMEODKROEIYCDZ-OWCLPIDISA-N 2 0 366.506 0.250 20 0 FCADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632315 1263518693 /nfs/dbraw/zinc/51/86/93/1263518693.db2.gz SWEGPUOLZBTYMB-JQHSSLGASA-N 2 0 360.502 0.857 20 0 FCADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001318923204 1263626364 /nfs/dbraw/zinc/62/63/64/1263626364.db2.gz CHZIBIOUGPYRQX-AWEZNQCLSA-N 2 0 356.430 0.924 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001321423396 1263958577 /nfs/dbraw/zinc/95/85/77/1263958577.db2.gz VLGYYKRHVRHESO-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001321510862 1263979464 /nfs/dbraw/zinc/97/94/64/1263979464.db2.gz ZRXPSCOZAHLWJB-INIZCTEOSA-N 2 0 373.501 0.572 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)N1CCOCC1 ZINC001321643033 1264019916 /nfs/dbraw/zinc/01/99/16/1264019916.db2.gz ONDPSQWDIKEXBR-IKGGRYGDSA-N 2 0 368.522 0.448 20 0 FCADRP CNC(=O)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499526508 1264032264 /nfs/dbraw/zinc/03/22/64/1264032264.db2.gz VHFJTAGVECGWNU-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580400594 1278226250 /nfs/dbraw/zinc/22/62/50/1278226250.db2.gz GMGZQCOZYOPCFB-VXGBXAGGSA-N 2 0 361.425 0.552 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001322960089 1264302111 /nfs/dbraw/zinc/30/21/11/1264302111.db2.gz XOSVANBMYBJHSX-HZPDHXFCSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001580401884 1278229547 /nfs/dbraw/zinc/22/95/47/1278229547.db2.gz BVXYAYHEEPACKE-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580402679 1278230312 /nfs/dbraw/zinc/23/03/12/1278230312.db2.gz OZPQSLUCJOEJTB-CYBMUJFWSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC001323850391 1264528293 /nfs/dbraw/zinc/52/82/93/1264528293.db2.gz CHDCOGYMOPKLQU-INMHGKMJSA-N 2 0 373.501 0.800 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001512851994 1264693553 /nfs/dbraw/zinc/69/35/53/1264693553.db2.gz CENAJQBIBWKEAS-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1cc(NC(=O)NCCN2CC[NH2+]CC2)ccc1N1CC[NH+](C)CC1 ZINC001325317706 1264846035 /nfs/dbraw/zinc/84/60/35/1264846035.db2.gz CNSMCOOVHDFXPA-UHFFFAOYSA-N 2 0 360.506 0.774 20 0 FCADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)COC1 ZINC001326571256 1265136961 /nfs/dbraw/zinc/13/69/61/1265136961.db2.gz FVJDTRDCLJYMND-WCVJEAGWSA-N 2 0 368.474 0.866 20 0 FCADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001326794072 1265167539 /nfs/dbraw/zinc/16/75/39/1265167539.db2.gz WILINXPKPTWTHH-FUHWJXTLSA-N 2 0 362.522 0.543 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001332966491 1266512745 /nfs/dbraw/zinc/51/27/45/1266512745.db2.gz MQGVSLGCFSWRMR-OAHLLOKOSA-N 2 0 372.477 0.888 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC001333541642 1266625701 /nfs/dbraw/zinc/62/57/01/1266625701.db2.gz CXOLZEDAKPKWDR-UHFFFAOYSA-N 2 0 359.474 0.278 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001333550027 1266628023 /nfs/dbraw/zinc/62/80/23/1266628023.db2.gz UQVIERPAQSUIHF-ROUUACIJSA-N 2 0 370.497 0.965 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC1CC[NH+](C)CC1 ZINC001580418057 1278271655 /nfs/dbraw/zinc/27/16/55/1278271655.db2.gz XVEAFOHFILPQDN-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333618453 1266652928 /nfs/dbraw/zinc/65/29/28/1266652928.db2.gz NBOOMKVPUDYRRP-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001524009210 1266675855 /nfs/dbraw/zinc/67/58/55/1266675855.db2.gz PQUFJFJTGWVUOB-IAGOWNOFSA-N 2 0 359.474 0.162 20 0 FCADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001333795220 1266719690 /nfs/dbraw/zinc/71/96/90/1266719690.db2.gz XCPHCHGXIVSHLS-OAHLLOKOSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001334406420 1266984330 /nfs/dbraw/zinc/98/43/30/1266984330.db2.gz QGCWBBZBZLPSQJ-NZSAHSFTSA-N 2 0 370.497 0.960 20 0 FCADRP Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCC[N@@H+]1C ZINC001548941618 1267775655 /nfs/dbraw/zinc/77/56/55/1267775655.db2.gz XLRGEIKNZPKSSY-CPUCHLNUSA-N 2 0 372.477 0.359 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1c1ccc(F)cc1 ZINC001549031384 1267791910 /nfs/dbraw/zinc/79/19/10/1267791910.db2.gz SECJWKDADTZQOD-HZPDHXFCSA-N 2 0 358.421 0.909 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)CC1=O ZINC001549075308 1267801593 /nfs/dbraw/zinc/80/15/93/1267801593.db2.gz SPUALLYNPQZZBS-FRFSOERESA-N 2 0 362.449 0.489 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC001549295570 1267892215 /nfs/dbraw/zinc/89/22/15/1267892215.db2.gz LFNREVQZKLPHNF-MUIFIZLQSA-N 2 0 362.478 0.113 20 0 FCADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001580477751 1278369947 /nfs/dbraw/zinc/36/99/47/1278369947.db2.gz IEGQNTRZNRYVEX-UHFFFAOYSA-N 2 0 350.463 0.238 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC001549740185 1267985164 /nfs/dbraw/zinc/98/51/64/1267985164.db2.gz IJWLEUADZPUBCR-OCCSQVGLSA-N 2 0 355.389 0.619 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@H]([NH3+])[C@@H](n4ccnn4)C3)C2)cc1 ZINC001549756503 1267990017 /nfs/dbraw/zinc/99/00/17/1267990017.db2.gz SZYAJTMONUYUAI-BZSNNMDCSA-N 2 0 369.473 0.755 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC001549763464 1267996179 /nfs/dbraw/zinc/99/61/79/1267996179.db2.gz NGSPTCMKZSVVEM-KBAYOESNSA-N 2 0 374.533 0.722 20 0 FCADRP CCO[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC001549792718 1268000965 /nfs/dbraw/zinc/00/09/65/1268000965.db2.gz MZRGDPCZSPAFLR-BBRMVZONSA-N 2 0 350.467 0.977 20 0 FCADRP [NH3+]CC12CC(C(=O)N3CCC[C@@H](c4cc(N5CC[NH2+]CC5)n[nH]4)C3)(C1)C2 ZINC001550069349 1268068612 /nfs/dbraw/zinc/06/86/12/1268068612.db2.gz SYDJGISWKLOMNV-FTXHTYHOSA-N 2 0 358.490 0.654 20 0 FCADRP [NH3+]C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1(F)F ZINC001550069310 1268069508 /nfs/dbraw/zinc/06/95/08/1268069508.db2.gz RLRKXDAFSWTGEL-JMSVASOKSA-N 2 0 368.432 0.365 20 0 FCADRP O=C(NC[C@H]1CC12CC[NH2+]CC2)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001550083535 1268070635 /nfs/dbraw/zinc/07/06/35/1268070635.db2.gz ZYPRQGWEGOBCDD-GHMZBOCLSA-N 2 0 354.405 0.870 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C[C@@H]2[NH3+])cc1 ZINC001550110821 1268077060 /nfs/dbraw/zinc/07/70/60/1268077060.db2.gz YYPPWROPTBFNDC-PVAVHDDUSA-N 2 0 370.457 0.778 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC001550200371 1268091730 /nfs/dbraw/zinc/09/17/30/1268091730.db2.gz DZOZUGRDVVYESF-WBVHZDCISA-N 2 0 370.457 0.998 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2C[C@H](O)C23CCOCC3)C[C@H]1C[NH+](C)C ZINC001550262208 1268098145 /nfs/dbraw/zinc/09/81/45/1268098145.db2.gz AQHUYCXYSIAPSP-TWMKSMIVSA-N 2 0 368.522 0.297 20 0 FCADRP O=C(NCc1cn(C2CC[NH2+]CC2)nn1)NCc1cccc2c1CC[NH2+]C2 ZINC001550270254 1268102639 /nfs/dbraw/zinc/10/26/39/1268102639.db2.gz IUGMJWVYUQAJFQ-UHFFFAOYSA-N 2 0 369.473 0.848 20 0 FCADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001550288928 1268103552 /nfs/dbraw/zinc/10/35/52/1268103552.db2.gz PASNAJSVNWCQJH-IFFAKLHKSA-N 2 0 363.506 0.370 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001550286479 1268104073 /nfs/dbraw/zinc/10/40/73/1268104073.db2.gz VOFLJWWTUAXALK-YESZJQIVSA-N 2 0 366.506 0.601 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001338997081 1268143551 /nfs/dbraw/zinc/14/35/51/1268143551.db2.gz BQIVBCFBUMNYBE-IRXDYDNUSA-N 2 0 350.507 0.918 20 0 FCADRP COCCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001339016640 1268150350 /nfs/dbraw/zinc/15/03/50/1268150350.db2.gz OSLQHHZXINFFMZ-GVDBMIGSSA-N 2 0 368.522 0.260 20 0 FCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[NH2+]C[C@H](O)C3)cc2)CC1 ZINC001550727596 1268156391 /nfs/dbraw/zinc/15/63/91/1268156391.db2.gz XCTIHYWDUSWUSZ-INIZCTEOSA-N 2 0 362.474 0.635 20 0 FCADRP C[N@H+]1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]2C[C@H]1CO ZINC001550745794 1268160066 /nfs/dbraw/zinc/16/00/66/1268160066.db2.gz UKSMAAIMJOBTIL-ZRSRNVLSSA-N 2 0 358.486 0.839 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@@H]2COCC[C@@H]2[NH3+])C1 ZINC001550753246 1268161219 /nfs/dbraw/zinc/16/12/19/1268161219.db2.gz XWTBEKIVMDPAFQ-FGTMMUONSA-N 2 0 362.474 0.611 20 0 FCADRP [NH3+][C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC12CCOCC2 ZINC001550754248 1268163339 /nfs/dbraw/zinc/16/33/39/1268163339.db2.gz JOZOLZDPJXQNLY-CABCVRRESA-N 2 0 352.479 0.294 20 0 FCADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[N@H+](C)C1 ZINC001550762512 1268164816 /nfs/dbraw/zinc/16/48/16/1268164816.db2.gz POSYPHWMEAIJQA-BZUAXINKSA-N 2 0 354.495 0.506 20 0 FCADRP Cn1c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)nc2ccccc2c1=O ZINC001550913813 1268184390 /nfs/dbraw/zinc/18/43/90/1268184390.db2.gz PEVRNYVACAYHPB-VQIMIIECSA-N 2 0 369.469 0.670 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC001550912650 1268184412 /nfs/dbraw/zinc/18/44/12/1268184412.db2.gz JKLCELHCHCKZST-PXNSSMCTSA-N 2 0 358.486 0.848 20 0 FCADRP O=C1CC[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914492 1268184421 /nfs/dbraw/zinc/18/44/21/1268184421.db2.gz YCACNNBVWQKPOW-KXBFYZLASA-N 2 0 355.442 0.431 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001550980241 1268188472 /nfs/dbraw/zinc/18/84/72/1268188472.db2.gz RRMWANHGZZFFHJ-BSDSXHPESA-N 2 0 366.506 0.527 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001550980906 1268189133 /nfs/dbraw/zinc/18/91/33/1268189133.db2.gz SDHQEFZAPHMYSC-YESZJQIVSA-N 2 0 354.495 0.600 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001551099959 1268205269 /nfs/dbraw/zinc/20/52/69/1268205269.db2.gz KLTNRBPSSPTJSJ-MANSERQUSA-N 2 0 365.518 0.791 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC001551277995 1268221004 /nfs/dbraw/zinc/22/10/04/1268221004.db2.gz SIAGIUXPRAWCOE-URSIVYNOSA-N 2 0 366.506 0.480 20 0 FCADRP O=C(CC[N@@H+]1CCOC[C@@H]1[C@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387263 1268230866 /nfs/dbraw/zinc/23/08/66/1268230866.db2.gz JAOROQLYJROFTR-ZWKOTPCHSA-N 2 0 374.485 0.858 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001551463208 1268256757 /nfs/dbraw/zinc/25/67/57/1268256757.db2.gz FEJADWZRJWWXAO-CABCVRRESA-N 2 0 354.495 0.290 20 0 FCADRP CC[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CCOC ZINC001551466428 1268256855 /nfs/dbraw/zinc/25/68/55/1268256855.db2.gz XYVXLNKVFJYYSR-SJORKVTESA-N 2 0 368.522 0.897 20 0 FCADRP CC1([NH+]2CCCC2)CCC(NC(=O)N2C[C@H]([NH3+])[C@@H](n3ccnn3)C2)CC1 ZINC001551471625 1268258353 /nfs/dbraw/zinc/25/83/53/1268258353.db2.gz RSZPRLKSHIBBQK-LPMVOBIJSA-N 2 0 361.494 0.969 20 0 FCADRP CN1CCN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)[C@@H](C[NH3+])C1 ZINC001551498074 1268261845 /nfs/dbraw/zinc/26/18/45/1268261845.db2.gz POOIMIXMOHVKCF-PQUAAJSLSA-N 2 0 353.511 0.304 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551554518 1268266370 /nfs/dbraw/zinc/26/63/70/1268266370.db2.gz KHRZIVZJQGQDQU-VNHYZAJKSA-N 2 0 373.448 0.177 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1(C[NH3+])CCCCC1 ZINC001551554445 1268266856 /nfs/dbraw/zinc/26/68/56/1268266856.db2.gz JHWXWZVUIJDRFM-NVXWUHKLSA-N 2 0 365.522 0.936 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551557261 1268268494 /nfs/dbraw/zinc/26/84/94/1268268494.db2.gz UTXXCLQWQYLTAW-UTXMOHQDSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@H](C)[N@H+]1CCO ZINC001551557444 1268268637 /nfs/dbraw/zinc/26/86/37/1268268637.db2.gz JAAOOAGBGNPEET-NEBZKDRISA-N 2 0 364.412 0.625 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551557855 1268269898 /nfs/dbraw/zinc/26/98/98/1268269898.db2.gz XAFARQWOWFSCFU-XYJFISCASA-N 2 0 365.522 0.615 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001551557810 1268269949 /nfs/dbraw/zinc/26/99/49/1268269949.db2.gz WSONXFOEYFYTGW-NBOOPKSLSA-N 2 0 363.506 0.417 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC1 ZINC001551564447 1268272542 /nfs/dbraw/zinc/27/25/42/1268272542.db2.gz UONIIVSIBCBHMD-GDBMZVCRSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551569024 1268273771 /nfs/dbraw/zinc/27/37/71/1268273771.db2.gz CSZJUGUBNIKTFE-WMZOPIPTSA-N 2 0 365.522 0.664 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC001551568354 1268273914 /nfs/dbraw/zinc/27/39/14/1268273914.db2.gz JDPQLRDGBYIZFI-HFTRVMKXSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551575081 1268274636 /nfs/dbraw/zinc/27/46/36/1268274636.db2.gz DZTALMVAVTZIAS-UNGSAITNSA-N 2 0 365.522 0.805 20 0 FCADRP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551576166 1268275238 /nfs/dbraw/zinc/27/52/38/1268275238.db2.gz HNXXFQFUBNQJLW-HKUYNNGSSA-N 2 0 373.501 0.852 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001551579573 1268276531 /nfs/dbraw/zinc/27/65/31/1268276531.db2.gz OLOIHBWJTWOMMI-DNNBLBMLSA-N 2 0 351.495 0.402 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC001551578920 1268276666 /nfs/dbraw/zinc/27/66/66/1268276666.db2.gz NMPHNDJYMAVUNX-DOTOQJQBSA-N 2 0 363.506 0.418 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001551583163 1268278701 /nfs/dbraw/zinc/27/87/01/1268278701.db2.gz VGMIFXYRENQYID-DNNBLBMLSA-N 2 0 351.495 0.260 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001551583167 1268279021 /nfs/dbraw/zinc/27/90/21/1268279021.db2.gz VGMIFXYRENQYID-DUFGSWQCSA-N 2 0 351.495 0.260 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551589985 1268280380 /nfs/dbraw/zinc/28/03/80/1268280380.db2.gz JFAZLCHBAXBQQS-ZVZYQTTQSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC001551596286 1268281704 /nfs/dbraw/zinc/28/17/04/1268281704.db2.gz SJHDKJGERUDCIF-DNNBLBMLSA-N 2 0 351.495 0.225 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597250 1268282323 /nfs/dbraw/zinc/28/23/23/1268282323.db2.gz UWZRHKAALZKPMF-FUHWJXTLSA-N 2 0 365.522 0.759 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551598534 1268283257 /nfs/dbraw/zinc/28/32/57/1268283257.db2.gz YGKDDOYRQYALOG-SJLPKXTDSA-N 2 0 365.522 0.664 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@H]2C[NH2+]C[C@H]2OC)nn1 ZINC001552088640 1268367077 /nfs/dbraw/zinc/36/70/77/1268367077.db2.gz FJSWABXZUZOPJQ-KCYZZUKISA-N 2 0 362.478 0.065 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2cccc3c2CC[NH2+]C3)nn1 ZINC001552163051 1268395947 /nfs/dbraw/zinc/39/59/47/1268395947.db2.gz SAYVJFNEQVWJHC-RHSMWYFYSA-N 2 0 356.430 0.264 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cnn1C ZINC001552163948 1268396230 /nfs/dbraw/zinc/39/62/30/1268396230.db2.gz ZUERGBCFRDGSIE-IRXDYDNUSA-N 2 0 369.473 0.475 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cnn1C ZINC001552161244 1268396299 /nfs/dbraw/zinc/39/62/99/1268396299.db2.gz LCUNFBNIWBORDC-IAGOWNOFSA-N 2 0 357.462 0.791 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)nn1 ZINC001552162462 1268396504 /nfs/dbraw/zinc/39/65/04/1268396504.db2.gz CIKQVYKYEXXLDQ-RDJZCZTQSA-N 2 0 356.430 0.264 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)nn1 ZINC001552162465 1268397083 /nfs/dbraw/zinc/39/70/83/1268397083.db2.gz CIKQVYKYEXXLDQ-WBVHZDCISA-N 2 0 356.430 0.264 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)nn1 ZINC001552167548 1268399341 /nfs/dbraw/zinc/39/93/41/1268399341.db2.gz NWPDVSJGFUESPO-JYYAWHABSA-N 2 0 362.478 0.065 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)nn1 ZINC001552179596 1268403623 /nfs/dbraw/zinc/40/36/23/1268403623.db2.gz LPNQPXULWYSVAV-XLNGHYISSA-N 2 0 362.478 0.065 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@@H+]1C[C@@H](C)O ZINC001552181628 1268405169 /nfs/dbraw/zinc/40/51/69/1268405169.db2.gz VVXIAWPXLBQQAJ-MOIQIXESSA-N 2 0 363.506 0.335 20 0 FCADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200100 1268407084 /nfs/dbraw/zinc/40/70/84/1268407084.db2.gz COPYKRNBZDOYLB-DYXWJJEUSA-N 2 0 373.497 0.784 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001340021805 1268408355 /nfs/dbraw/zinc/40/83/55/1268408355.db2.gz ZRSPYFOXPMKHNQ-UHFFFAOYSA-N 2 0 359.268 0.640 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201578 1268408358 /nfs/dbraw/zinc/40/83/58/1268408358.db2.gz SJEMELYHINMSSY-YLJYHZDGSA-N 2 0 359.470 0.496 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)ccc2oc1=O ZINC001552201472 1268408643 /nfs/dbraw/zinc/40/86/43/1268408643.db2.gz NZUAOTNXDIAAFR-KZULUSFZSA-N 2 0 360.414 0.331 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201432 1268408657 /nfs/dbraw/zinc/40/86/57/1268408657.db2.gz WABALHHKDBQEDA-UYAOXDASSA-N 2 0 358.486 0.286 20 0 FCADRP CN1CCC(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)([NH+]2CCCCC2)CC1 ZINC001552202947 1268409479 /nfs/dbraw/zinc/40/94/79/1268409479.db2.gz UBJQLIUNZRNEPS-APWZRJJASA-N 2 0 350.507 0.289 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC001552216208 1268413361 /nfs/dbraw/zinc/41/33/61/1268413361.db2.gz LLENBIFMDJREHU-HYVNUMGLSA-N 2 0 370.457 0.697 20 0 FCADRP CCn1c(Cc2nccn2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001340047171 1268417265 /nfs/dbraw/zinc/41/72/65/1268417265.db2.gz DXLJDNGSHMJTTA-HNNXBMFYSA-N 2 0 359.478 0.781 20 0 FCADRP Cc1c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435283 1268461877 /nfs/dbraw/zinc/46/18/77/1268461877.db2.gz KAAFLNQOGMWIMT-CZUORRHYSA-N 2 0 364.494 0.286 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)C2)CC1 ZINC001552436789 1268463398 /nfs/dbraw/zinc/46/33/98/1268463398.db2.gz JVGGEFREABGDMG-INIZCTEOSA-N 2 0 361.490 0.994 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[NH+](C)C ZINC001552554514 1268476005 /nfs/dbraw/zinc/47/60/05/1268476005.db2.gz PLCJUQYEFYTNJJ-HUUCEWRRSA-N 2 0 363.510 0.658 20 0 FCADRP CN(C)[C@H](CNC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1)c1ccco1 ZINC001552793272 1268548126 /nfs/dbraw/zinc/54/81/26/1268548126.db2.gz PPWJKRBCDAXFNW-RBSFLKMASA-N 2 0 361.450 0.671 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1n1ccnn1 ZINC001552801993 1268550996 /nfs/dbraw/zinc/55/09/96/1268550996.db2.gz XBRQCNMCWNPPHD-SLUKUZTOSA-N 2 0 361.494 0.790 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)c1 ZINC001552887828 1268562173 /nfs/dbraw/zinc/56/21/73/1268562173.db2.gz SCLRKGOOXJQUPW-GJZGRUSLSA-N 2 0 358.450 0.754 20 0 FCADRP C[NH+](C)C1CC(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001552898447 1268564021 /nfs/dbraw/zinc/56/40/21/1268564021.db2.gz PPBVKKREALBPRE-UHFFFAOYSA-N 2 0 365.522 0.842 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552899204 1268564786 /nfs/dbraw/zinc/56/47/86/1268564786.db2.gz SSYMBPKHABPAPE-MRXNPFEDSA-N 2 0 365.522 0.986 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCO[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957742 1268568943 /nfs/dbraw/zinc/56/89/43/1268568943.db2.gz JEIATRPKBPQDQO-SQNIBIBYSA-N 2 0 365.522 0.175 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC001552966522 1268570557 /nfs/dbraw/zinc/57/05/57/1268570557.db2.gz HVTOAHMXDQUKTM-IBGZPJMESA-N 2 0 364.534 0.724 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)c1 ZINC001553019333 1268581367 /nfs/dbraw/zinc/58/13/67/1268581367.db2.gz KHFYAOMRJFXALC-HOTGVXAUSA-N 2 0 358.450 0.436 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@H]4CC[NH2+]C[C@@H]4C3)ccn2)CC1 ZINC001553424603 1268648267 /nfs/dbraw/zinc/64/82/67/1268648267.db2.gz YHEGYMBFHAVYKI-ZWKOTPCHSA-N 2 0 372.517 0.974 20 0 FCADRP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001553441943 1268649671 /nfs/dbraw/zinc/64/96/71/1268649671.db2.gz BZGQWEPWOSIVQW-YQVWRLOYSA-N 2 0 366.506 0.637 20 0 FCADRP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001553490758 1268657995 /nfs/dbraw/zinc/65/79/95/1268657995.db2.gz YXGKAAGYSRHTLW-GOSISDBHSA-N 2 0 354.495 0.496 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553531802 1268664762 /nfs/dbraw/zinc/66/47/62/1268664762.db2.gz VUECMKDQIJWUNM-HOTGVXAUSA-N 2 0 365.522 0.747 20 0 FCADRP CO[C@H]1CCOC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553535737 1268665312 /nfs/dbraw/zinc/66/53/12/1268665312.db2.gz BGULJHIUWZWQGF-TWMKSMIVSA-N 2 0 352.479 0.401 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)NC[C@@]34CCC[C@@H]3[NH2+]CC4)n2)C1 ZINC001553535065 1268665804 /nfs/dbraw/zinc/66/58/04/1268665804.db2.gz YUDBSAIDHIOJKA-ALKREAHSSA-N 2 0 358.490 0.950 20 0 FCADRP CO[C@H]1CCOC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553535740 1268665875 /nfs/dbraw/zinc/66/58/75/1268665875.db2.gz BGULJHIUWZWQGF-YVSFHVDLSA-N 2 0 352.479 0.401 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2[C@@H]3[NH2+]CCCC[C@@H]23)CC1 ZINC001553555307 1268669173 /nfs/dbraw/zinc/66/91/73/1268669173.db2.gz JJJVADAVSMOGLM-BZUAXINKSA-N 2 0 363.506 0.642 20 0 FCADRP CC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC001553551904 1268669705 /nfs/dbraw/zinc/66/97/05/1268669705.db2.gz YVXANUZCDLSQJC-XHSDSOJGSA-N 2 0 351.495 0.463 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001340863896 1268685682 /nfs/dbraw/zinc/68/56/82/1268685682.db2.gz CEZGPLCMOWMDAT-KRWDZBQOSA-N 2 0 354.495 0.047 20 0 FCADRP [NH3+][C@H](Cc1ccccn1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340892400 1268696441 /nfs/dbraw/zinc/69/64/41/1268696441.db2.gz FIWJXGHAAJIXKT-LJQANCHMSA-N 3 0 368.485 0.675 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)C3=NOC4(C3)CC[NH2+]CC4)cn2)CC1 ZINC001340951733 1268721343 /nfs/dbraw/zinc/72/13/43/1268721343.db2.gz JNVJEURXLQQEDB-UHFFFAOYSA-N 2 0 358.446 0.670 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1n1ccnn1 ZINC001554064302 1268750241 /nfs/dbraw/zinc/75/02/41/1268750241.db2.gz BXIXTQBMQVJNBZ-JKSUJKDBSA-N 2 0 367.417 0.878 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341207134 1268858153 /nfs/dbraw/zinc/85/81/53/1268858153.db2.gz WSIBBCFOEITFNU-UHFFFAOYSA-N 2 0 373.501 0.575 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001341344765 1268945650 /nfs/dbraw/zinc/94/56/50/1268945650.db2.gz JVDPIIWLMHTESN-OAHLLOKOSA-N 2 0 350.467 0.679 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496648 1269033013 /nfs/dbraw/zinc/03/30/13/1269033013.db2.gz LTNWEBRGJUWOMY-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496652 1269033739 /nfs/dbraw/zinc/03/37/39/1269033739.db2.gz LTNWEBRGJUWOMY-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCCC[NH2+]2)CC1=O ZINC001341549498 1269073308 /nfs/dbraw/zinc/07/33/08/1269073308.db2.gz JTYAJKNGQJYIDU-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCN2C)c1 ZINC001341551592 1269075089 /nfs/dbraw/zinc/07/50/89/1269075089.db2.gz INRGCHQZOOQQTG-KRWDZBQOSA-N 2 0 361.490 0.600 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001341585855 1269095500 /nfs/dbraw/zinc/09/55/00/1269095500.db2.gz NTTHVCVJKULRFT-XLMAVXFVSA-N 2 0 368.522 0.576 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341677904 1269147069 /nfs/dbraw/zinc/14/70/69/1269147069.db2.gz VIJZYIGDXXSNKI-ZHALLVOQSA-N 2 0 352.523 0.508 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC001341717057 1269167544 /nfs/dbraw/zinc/16/75/44/1269167544.db2.gz MCTGRFKQLUBBAV-RDTXWAMCSA-N 2 0 362.474 0.832 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC001341733334 1269176678 /nfs/dbraw/zinc/17/66/78/1269176678.db2.gz NOGOXDHWRZKOHK-SJLPKXTDSA-N 2 0 358.486 0.908 20 0 FCADRP O=C(CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC001580551444 1278485167 /nfs/dbraw/zinc/48/51/67/1278485167.db2.gz IJBYPIPQFFXHLJ-FQEVSTJZSA-N 2 0 358.486 0.636 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342935918 1269686949 /nfs/dbraw/zinc/68/69/49/1269686949.db2.gz IAZCBYRDSNBITC-OAGGEKHMSA-N 2 0 368.522 0.399 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)cc1 ZINC001344437162 1270180090 /nfs/dbraw/zinc/18/00/90/1270180090.db2.gz OFXHCXYVMHJKSL-MEQKGCOVSA-N 2 0 358.442 0.636 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001572960769 1270414115 /nfs/dbraw/zinc/41/41/15/1270414115.db2.gz WYBVMYXFQYFLNQ-BZUAXINKSA-N 2 0 370.538 0.647 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001572995086 1270469318 /nfs/dbraw/zinc/46/93/18/1270469318.db2.gz HMJUXYYZHAFWLQ-SJORKVTESA-N 2 0 368.522 0.138 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607785 1278566988 /nfs/dbraw/zinc/56/69/88/1278566988.db2.gz AOIAWXRNMRGQLQ-GJZGRUSLSA-N 2 0 353.532 0.967 20 0 FCADRP CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH2+]CC2)C1 ZINC001573759948 1270872779 /nfs/dbraw/zinc/87/27/79/1270872779.db2.gz LESHURIABHVMKS-HNNXBMFYSA-N 2 0 363.510 0.558 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573981985 1270974304 /nfs/dbraw/zinc/97/43/04/1270974304.db2.gz KPTROSARXTWELJ-XEZPLFJOSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573982359 1270974663 /nfs/dbraw/zinc/97/46/63/1270974663.db2.gz NSJNBSOMHJEFAC-LALPHHSUSA-N 2 0 358.450 0.329 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574252494 1271121111 /nfs/dbraw/zinc/12/11/11/1271121111.db2.gz JFWWPKFQFGNVIL-ZDUSSCGKSA-N 2 0 358.450 0.284 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289057 1271165657 /nfs/dbraw/zinc/16/56/57/1271165657.db2.gz VHPAIHUBHIIYFO-WFASDCNBSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@H](CCCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574577176 1271375526 /nfs/dbraw/zinc/37/55/26/1271375526.db2.gz QBKYEZJVHYOJEN-CZUORRHYSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595722 1271395560 /nfs/dbraw/zinc/39/55/60/1271395560.db2.gz FVVVGCCRYOPHEA-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598802 1271401973 /nfs/dbraw/zinc/40/19/73/1271401973.db2.gz SEEKDINBOBNVEJ-IUODEOHRSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574606421 1271413523 /nfs/dbraw/zinc/41/35/23/1271413523.db2.gz IEAUOXBGMLYUHQ-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574672214 1271475082 /nfs/dbraw/zinc/47/50/82/1271475082.db2.gz UVLQRKAZESZMLX-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574672212 1271475909 /nfs/dbraw/zinc/47/59/09/1271475909.db2.gz UVLQRKAZESZMLX-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574673127 1271476994 /nfs/dbraw/zinc/47/69/94/1271476994.db2.gz ZGZQYEALAZBKGW-CYBMUJFWSA-N 2 0 374.493 0.968 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574832413 1271578878 /nfs/dbraw/zinc/57/88/78/1271578878.db2.gz UVHQQUMGBAPBCB-CZUORRHYSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574854490 1271606526 /nfs/dbraw/zinc/60/65/26/1271606526.db2.gz NPLWKQAGOPZTMM-LLVKDONJSA-N 2 0 361.475 0.618 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873966 1271624181 /nfs/dbraw/zinc/62/41/81/1271624181.db2.gz PDNSSZOWLTVCCL-XJKSGUPXSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873316 1271624970 /nfs/dbraw/zinc/62/49/70/1271624970.db2.gz MVIXVWOKBKSGBU-XJKSGUPXSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873963 1271625886 /nfs/dbraw/zinc/62/58/86/1271625886.db2.gz PDNSSZOWLTVCCL-CJNGLKHVSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877971 1271639225 /nfs/dbraw/zinc/63/92/25/1271639225.db2.gz UEVAUSKCGQCOOV-WCQYABFASA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H](O)C2CC[NH2+]CC2)CC1 ZINC001575068396 1271705414 /nfs/dbraw/zinc/70/54/14/1271705414.db2.gz FGDRGTFLFDJIDK-CRAIPNDOSA-N 2 0 352.523 0.412 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001575430429 1272099068 /nfs/dbraw/zinc/09/90/68/1272099068.db2.gz DOQSXDKUFULMPP-KBPBESRZSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CCc2cn[nH]n2)C1 ZINC001575566662 1272202391 /nfs/dbraw/zinc/20/23/91/1272202391.db2.gz LEVLMSKUBYQHLT-JKSUJKDBSA-N 2 0 364.494 0.144 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567129 1272203754 /nfs/dbraw/zinc/20/37/54/1272203754.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 2 0 364.494 0.238 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001575715790 1272358410 /nfs/dbraw/zinc/35/84/10/1272358410.db2.gz KLQGRNDEGLHPQG-CABCVRRESA-N 2 0 363.510 0.684 20 0 FCADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)CC1 ZINC001575722232 1272380537 /nfs/dbraw/zinc/38/05/37/1272380537.db2.gz JATZLGRSHVHRGG-HNNXBMFYSA-N 2 0 373.509 0.846 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001576017374 1272717934 /nfs/dbraw/zinc/71/79/34/1272717934.db2.gz SBWNLDROBRQHFI-UWWQBHOKSA-N 2 0 363.481 0.898 20 0 FCADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC001576245196 1273024724 /nfs/dbraw/zinc/02/47/24/1273024724.db2.gz OIMKVQKWDNTZFG-AAEUAGOBSA-N 2 0 357.442 0.625 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576247349 1273026460 /nfs/dbraw/zinc/02/64/60/1273026460.db2.gz OJJROHAVZBHDJQ-XJKSGUPXSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001576254785 1273036536 /nfs/dbraw/zinc/03/65/36/1273036536.db2.gz FTIOUOCLDWLPGF-HIFRSBDPSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254731 1273037486 /nfs/dbraw/zinc/03/74/86/1273037486.db2.gz FAYGTZQGAPOZGW-KBPBESRZSA-N 2 0 372.477 0.530 20 0 FCADRP CC[C@@H](C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576482899 1273323725 /nfs/dbraw/zinc/32/37/25/1273323725.db2.gz OZHZBHKIRYSVET-DOMZBBRYSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@@H](C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576484003 1273326853 /nfs/dbraw/zinc/32/68/53/1273326853.db2.gz YINORSSIRZKJJC-INIZCTEOSA-N 2 0 374.493 0.983 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)[NH+](C)C ZINC001576490490 1273342216 /nfs/dbraw/zinc/34/22/16/1273342216.db2.gz MNXDNJVMKVRYSD-GJZGRUSLSA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576492593 1273349720 /nfs/dbraw/zinc/34/97/20/1273349720.db2.gz PVKZMFYGAAYAGD-DGCLKSJQSA-N 2 0 363.491 0.959 20 0 FCADRP CC[C@H](C(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576492766 1273351047 /nfs/dbraw/zinc/35/10/47/1273351047.db2.gz SXNJOTWRNHZPHZ-CQSZACIVSA-N 2 0 358.450 0.559 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498134 1273358147 /nfs/dbraw/zinc/35/81/47/1273358147.db2.gz JOJWDCRLBBXWEC-ZBFHGGJFSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576507108 1273377801 /nfs/dbraw/zinc/37/78/01/1273377801.db2.gz VSRYJRQZYKJHKS-BZUAXINKSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576506652 1273378166 /nfs/dbraw/zinc/37/81/66/1273378166.db2.gz RADCBHFGHRGBOB-WFASDCNBSA-N 2 0 360.466 0.721 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576508605 1273380470 /nfs/dbraw/zinc/38/04/70/1273380470.db2.gz KPNIMHPEWOPOCX-ZYHUDNBSSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576512538 1273390309 /nfs/dbraw/zinc/39/03/09/1273390309.db2.gz QVCRVWAAHLBMFS-XEZPLFJOSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576513064 1273391081 /nfs/dbraw/zinc/39/10/81/1273391081.db2.gz UJGJJYNZWSMZLG-HUBLWGQQSA-N 2 0 358.450 0.391 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576513069 1273391454 /nfs/dbraw/zinc/39/14/54/1273391454.db2.gz UJGJJYNZWSMZLG-ZOWXZIJZSA-N 2 0 358.450 0.391 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576512802 1273392184 /nfs/dbraw/zinc/39/21/84/1273392184.db2.gz SQIQZLNWBNUIKN-DVOMOZLQSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576514653 1273394672 /nfs/dbraw/zinc/39/46/72/1273394672.db2.gz CXEVCNNCAUBJQZ-TZMCWYRMSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518533 1273404433 /nfs/dbraw/zinc/40/44/33/1273404433.db2.gz MOPDWBDLTUJEFR-HUUCEWRRSA-N 2 0 358.450 0.331 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@@]2(C)C1 ZINC001576521397 1273405219 /nfs/dbraw/zinc/40/52/19/1273405219.db2.gz FTDMPWBLTOWPGN-KYJSFNMBSA-N 2 0 366.485 0.807 20 0 FCADRP CC1=C(C)C(=O)N(CCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1=O ZINC001576554196 1273434970 /nfs/dbraw/zinc/43/49/70/1273434970.db2.gz RENZIFJQPSNSTB-UHFFFAOYSA-N 2 0 357.414 0.525 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001576715145 1273586348 /nfs/dbraw/zinc/58/63/48/1273586348.db2.gz SXJGSYJVSHZVSH-SOUVJXGZSA-N 2 0 366.535 0.536 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001576729519 1273597683 /nfs/dbraw/zinc/59/76/83/1273597683.db2.gz PYOYTVXDPUDPME-HNNXBMFYSA-N 2 0 351.495 0.370 20 0 FCADRP C[C@@H]1CN(C(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC[N@@H+]1CC(C)(C)O ZINC001576760015 1273633645 /nfs/dbraw/zinc/63/36/45/1273633645.db2.gz IBXNVUGNWKOXRR-BEFAXECRSA-N 2 0 353.507 0.575 20 0 FCADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576785440 1273676750 /nfs/dbraw/zinc/67/67/50/1273676750.db2.gz LWJBPIXZDDUNLV-INIZCTEOSA-N 2 0 369.473 0.947 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788745 1273682500 /nfs/dbraw/zinc/68/25/00/1273682500.db2.gz CPKDEABZROZHAE-GOEBONIOSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788747 1273683843 /nfs/dbraw/zinc/68/38/43/1273683843.db2.gz CPKDEABZROZHAE-ZBFHGGJFSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576817275 1273737192 /nfs/dbraw/zinc/73/71/92/1273737192.db2.gz NNVXLOGGTKNSQA-CYBMUJFWSA-N 2 0 363.441 0.942 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576882684 1273862941 /nfs/dbraw/zinc/86/29/41/1273862941.db2.gz JAVFIJVPLDGFRT-PBHICJAKSA-N 2 0 364.494 0.333 20 0 FCADRP C[NH+]1CCC(OCC(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCCC2)CC1 ZINC001576883444 1273865638 /nfs/dbraw/zinc/86/56/38/1273865638.db2.gz NGCLRNQOWIPXBR-UHFFFAOYSA-N 2 0 350.467 0.434 20 0 FCADRP CCC[N@H+](CC)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)C1 ZINC001577507136 1274459984 /nfs/dbraw/zinc/45/99/84/1274459984.db2.gz FTJHPSSZORJFPW-OAHLLOKOSA-N 2 0 363.510 0.413 20 0 FCADRP CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001577530286 1274473903 /nfs/dbraw/zinc/47/39/03/1274473903.db2.gz ISKLGIXGAXAFRQ-HZPDHXFCSA-N 2 0 366.510 0.710 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577557174 1274498890 /nfs/dbraw/zinc/49/88/90/1274498890.db2.gz SVVVDPAELNYYDL-UHFFFAOYSA-N 2 0 372.477 0.951 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577556593 1274499363 /nfs/dbraw/zinc/49/93/63/1274499363.db2.gz AXJKQHXQAAYKJZ-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558190 1274500998 /nfs/dbraw/zinc/50/09/98/1274500998.db2.gz CTMUVSZPVDQFLV-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558282 1274502019 /nfs/dbraw/zinc/50/20/19/1274502019.db2.gz FMLBKRNVIFRHJH-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558942 1274504647 /nfs/dbraw/zinc/50/46/47/1274504647.db2.gz OLMIAONZZGJMHD-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560906 1274509720 /nfs/dbraw/zinc/50/97/20/1274509720.db2.gz KYCWPIZHMRMPSO-GFCCVEGCSA-N 2 0 360.466 0.498 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577561004 1274510218 /nfs/dbraw/zinc/51/02/18/1274510218.db2.gz NMSRIIKSYCVUIL-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577561138 1274510528 /nfs/dbraw/zinc/51/05/28/1274510528.db2.gz QXQGWNOUEPDVTI-ZDUSSCGKSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577567673 1274525342 /nfs/dbraw/zinc/52/53/42/1274525342.db2.gz GUILUEWVPJTZLF-AWEZNQCLSA-N 2 0 374.493 0.983 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574122 1274537603 /nfs/dbraw/zinc/53/76/03/1274537603.db2.gz OUIWMCTYINFGPX-ZDUSSCGKSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577672824 1274705862 /nfs/dbraw/zinc/70/58/62/1274705862.db2.gz CUDBJZKRPRXZCU-OAHLLOKOSA-N 2 0 370.461 0.619 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2=CC[NH2+]CC2)CC1 ZINC001577687570 1274741524 /nfs/dbraw/zinc/74/15/24/1274741524.db2.gz KREZVKANIRCXER-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577697677 1274763079 /nfs/dbraw/zinc/76/30/79/1274763079.db2.gz PENGFXXSSKOWBK-HUUCEWRRSA-N 2 0 363.510 0.782 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH2+]CC2)C1 ZINC001577763872 1274849312 /nfs/dbraw/zinc/84/93/12/1274849312.db2.gz LKFLJLLWLJILKJ-OAHLLOKOSA-N 2 0 361.494 0.152 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCC[NH2+]CCOC)CC2)CC1 ZINC001577767462 1274853077 /nfs/dbraw/zinc/85/30/77/1274853077.db2.gz LKQKGCSGBFHRGS-UHFFFAOYSA-N 2 0 355.527 0.424 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001577778231 1274871151 /nfs/dbraw/zinc/87/11/51/1274871151.db2.gz NNTINYUTAATRNH-CVEARBPZSA-N 2 0 355.527 0.816 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC001577780894 1274876641 /nfs/dbraw/zinc/87/66/41/1274876641.db2.gz FYNMMCSVFAQSRF-KFWWJZLASA-N 2 0 363.510 0.743 20 0 FCADRP CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577799227 1274900385 /nfs/dbraw/zinc/90/03/85/1274900385.db2.gz YSJVPLSIYVCZRT-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849793 1274987442 /nfs/dbraw/zinc/98/74/42/1274987442.db2.gz ZCABLIXBKZWBRI-ZDUSSCGKSA-N 2 0 360.466 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577852072 1274992875 /nfs/dbraw/zinc/99/28/75/1274992875.db2.gz JGELOBCLPKMSGP-ZIAGYGMSSA-N 2 0 372.477 0.532 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852288 1274995947 /nfs/dbraw/zinc/99/59/47/1274995947.db2.gz NVILVGRXRPTTOA-UONOGXRCSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577852393 1274996693 /nfs/dbraw/zinc/99/66/93/1274996693.db2.gz QCYDNGUSMMBUQH-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852236 1274996938 /nfs/dbraw/zinc/99/69/38/1274996938.db2.gz MSWHRHIIPPVSQV-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852286 1274997433 /nfs/dbraw/zinc/99/74/33/1274997433.db2.gz NVILVGRXRPTTOA-KBPBESRZSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852289 1274998050 /nfs/dbraw/zinc/99/80/50/1274998050.db2.gz NVILVGRXRPTTOA-ZIAGYGMSSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852605 1275000113 /nfs/dbraw/zinc/00/01/13/1275000113.db2.gz VSBMQFYDZFYSLQ-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577856307 1275013473 /nfs/dbraw/zinc/01/34/73/1275013473.db2.gz WSDKXNKRFHOMHV-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577862509 1275026710 /nfs/dbraw/zinc/02/67/10/1275026710.db2.gz DJSXKBAGJQFEPS-GFCCVEGCSA-N 2 0 360.466 0.498 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862864 1275029322 /nfs/dbraw/zinc/02/93/22/1275029322.db2.gz LYHCPSLLTFJPIB-DZGCQCFKSA-N 2 0 372.477 0.722 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577862605 1275030616 /nfs/dbraw/zinc/03/06/16/1275030616.db2.gz GYDMZPXISQLDDJ-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577862918 1275033786 /nfs/dbraw/zinc/03/37/86/1275033786.db2.gz NEGMGXCGAMQTRL-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863505 1275037658 /nfs/dbraw/zinc/03/76/58/1275037658.db2.gz WWJXSQWPWVFAKP-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577866976 1275047265 /nfs/dbraw/zinc/04/72/65/1275047265.db2.gz QQBZKSSIXGHNGQ-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867273 1275050333 /nfs/dbraw/zinc/05/03/33/1275050333.db2.gz ZIFCVVMMAWVRDR-AWEZNQCLSA-N 2 0 372.477 0.936 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869792 1275054421 /nfs/dbraw/zinc/05/44/21/1275054421.db2.gz WYANFNHSDZMPDY-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577879863 1275079124 /nfs/dbraw/zinc/07/91/24/1275079124.db2.gz OZJSJRRMEXCUFS-MRXNPFEDSA-N 2 0 372.477 0.674 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+](CC)CC ZINC001577882922 1275084247 /nfs/dbraw/zinc/08/42/47/1275084247.db2.gz PIWNLDWDEPIOHE-UHFFFAOYSA-N 2 0 360.466 0.594 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577902407 1275111455 /nfs/dbraw/zinc/11/14/55/1275111455.db2.gz DFAPJJHYXBBPCM-WCQYABFASA-N 2 0 364.429 0.280 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577949999 1275170179 /nfs/dbraw/zinc/17/01/79/1275170179.db2.gz WDJYMSPJZDWUTR-CYBMUJFWSA-N 2 0 358.450 0.464 20 0 FCADRP O=C(NCC=CC[NH2+]CCc1cn[nH]n1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578005617 1275267515 /nfs/dbraw/zinc/26/75/15/1275267515.db2.gz BWJPDKCYNWXEBL-UPHRSURJSA-N 2 0 352.402 0.504 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001578135875 1275434630 /nfs/dbraw/zinc/43/46/30/1275434630.db2.gz JGTPBYDLGWBEJQ-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001578136167 1275435212 /nfs/dbraw/zinc/43/52/12/1275435212.db2.gz NJRCNGFQXDEOJP-UHFFFAOYSA-N 2 0 358.450 0.286 20 0 FCADRP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH3+] ZINC001578142078 1275442001 /nfs/dbraw/zinc/44/20/01/1275442001.db2.gz KCAOGQGSABROGV-HNNXBMFYSA-N 2 0 352.483 0.322 20 0 FCADRP CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCC[NH2+]C ZINC001578312295 1275650413 /nfs/dbraw/zinc/65/04/13/1275650413.db2.gz QUBMMVAMQXLTEF-UHFFFAOYSA-N 2 0 350.511 0.999 20 0 FCADRP CCc1nnc(N2CCC[C@H](C[NH3+])C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001578316981 1275657269 /nfs/dbraw/zinc/65/72/69/1275657269.db2.gz HLYGWETZJYCMKL-HZPDHXFCSA-N 2 0 350.511 0.984 20 0 FCADRP CCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001578331291 1275678813 /nfs/dbraw/zinc/67/88/13/1275678813.db2.gz RKTQEYKJKBYPGJ-BXWFABGCSA-N 2 0 361.538 0.652 20 0 FCADRP CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578404652 1275776302 /nfs/dbraw/zinc/77/63/02/1275776302.db2.gz QTYWITVSDNTZMX-UAGQMJEPSA-N 2 0 358.442 0.755 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)C2(C3(O)CC[NH2+]CC3)CCC2)CC1 ZINC001578411625 1275782759 /nfs/dbraw/zinc/78/27/59/1275782759.db2.gz WCOXYONNEOIAGE-UHFFFAOYSA-N 2 0 352.523 0.413 20 0 FCADRP C[NH+](C)C1(Cn2c([C@@H]3CCC[NH2+]3)nnc2N2CCNC(=O)C2)CCCC1 ZINC001578410246 1275783079 /nfs/dbraw/zinc/78/30/79/1275783079.db2.gz FFJSNRJWECFIGV-AWEZNQCLSA-N 2 0 361.494 0.513 20 0 FCADRP C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[NH2+]CC2)CCC1 ZINC001578410628 1275783164 /nfs/dbraw/zinc/78/31/64/1275783164.db2.gz IPTKUAZPVUEBPS-UHFFFAOYSA-N 2 0 361.494 0.294 20 0 FCADRP C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001578418995 1275787700 /nfs/dbraw/zinc/78/77/00/1275787700.db2.gz UOLNIFQIXZEUST-CQSZACIVSA-N 2 0 360.466 0.241 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001578447050 1275836635 /nfs/dbraw/zinc/83/66/35/1275836635.db2.gz MJLPXZTTZLXSGU-SWLSCSKDSA-N 2 0 370.461 0.475 20 0 FCADRP C[N@H+](CCC[NH3+])CCCn1c(C2CCC2)nnc1N1CCNC(=O)CC1 ZINC001578466501 1275875849 /nfs/dbraw/zinc/87/58/49/1275875849.db2.gz OMZYKJUDYDEPKY-UHFFFAOYSA-N 2 0 363.510 0.543 20 0 FCADRP CC[C@H](C(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001578469410 1275880490 /nfs/dbraw/zinc/88/04/90/1275880490.db2.gz GVACZCQGMKDYGP-MRXNPFEDSA-N 2 0 372.477 0.735 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578470959 1275882761 /nfs/dbraw/zinc/88/27/61/1275882761.db2.gz IHOKUEYCUWWLFW-OAHLLOKOSA-N 2 0 352.479 0.261 20 0 FCADRP CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001578549952 1275977725 /nfs/dbraw/zinc/97/77/25/1275977725.db2.gz ZCOSHUSAQQYTQC-ILXRZTDVSA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001578609482 1276045631 /nfs/dbraw/zinc/04/56/31/1276045631.db2.gz UIQJUUZFHSMNIY-HOTGVXAUSA-N 2 0 373.505 0.918 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001578610752 1276046638 /nfs/dbraw/zinc/04/66/38/1276046638.db2.gz BNCAOTJSKSRMEW-GUTXKFCHSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+](C)C)C1 ZINC001578673383 1276124785 /nfs/dbraw/zinc/12/47/85/1276124785.db2.gz RFDLSRDRWCGKBN-GJZGRUSLSA-N 2 0 363.510 0.396 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001580828160 1279007015 /nfs/dbraw/zinc/00/70/15/1279007015.db2.gz CUDDLLFZXDDFOC-INIZCTEOSA-N 2 0 354.458 0.859 20 0 FCADRP C[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001578719983 1276194057 /nfs/dbraw/zinc/19/40/57/1276194057.db2.gz AJXCCEMSCGGAGM-HNNXBMFYSA-N 2 0 374.493 0.057 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C2 ZINC001578843300 1276364246 /nfs/dbraw/zinc/36/42/46/1276364246.db2.gz ZCYUSSGZNINTKN-BIENJYKASA-N 2 0 374.441 0.796 20 0 FCADRP C[NH+](C)CC1(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578970988 1276514566 /nfs/dbraw/zinc/51/45/66/1276514566.db2.gz PVOGZGVPICTKCE-UHFFFAOYSA-N 2 0 370.461 0.332 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578970488 1276515262 /nfs/dbraw/zinc/51/52/62/1276515262.db2.gz CTCQZTLWKVEZKA-GFCCVEGCSA-N 2 0 356.434 0.038 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578974845 1276523944 /nfs/dbraw/zinc/52/39/44/1276523944.db2.gz VFHHRWGTRBUNBC-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578974940 1276524559 /nfs/dbraw/zinc/52/45/59/1276524559.db2.gz XZPJZFZZFLXANH-GFCCVEGCSA-N 2 0 363.491 0.913 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979274 1276539476 /nfs/dbraw/zinc/53/94/76/1276539476.db2.gz YPUPKVOYWDZPEP-GXTWGEPZSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578986006 1276554812 /nfs/dbraw/zinc/55/48/12/1276554812.db2.gz WFVYWPPCANHHOK-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578987007 1276555451 /nfs/dbraw/zinc/55/54/51/1276555451.db2.gz BXRGGMGZYFRKCX-UHFFFAOYSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578987362 1276556746 /nfs/dbraw/zinc/55/67/46/1276556746.db2.gz AJMXPRHLYHAIBA-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP COC[C@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001578990310 1276563907 /nfs/dbraw/zinc/56/39/07/1276563907.db2.gz QOZQNVLHNAXVCE-OIPACUDHSA-N 2 0 364.494 0.022 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001579082320 1276709281 /nfs/dbraw/zinc/70/92/81/1276709281.db2.gz ZBJXLQPPVIOEOD-WCVJEAGWSA-N 2 0 366.510 0.750 20 0 FCADRP COC[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001579083082 1276711136 /nfs/dbraw/zinc/71/11/36/1276711136.db2.gz LNKICJCZAXFKKA-INIZCTEOSA-N 2 0 354.495 0.141 20 0 FCADRP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[NH+]1C ZINC001579137040 1276839539 /nfs/dbraw/zinc/83/95/39/1276839539.db2.gz RBCBSMVARDEAAC-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579167311 1276919330 /nfs/dbraw/zinc/91/93/30/1276919330.db2.gz SNQSADZRCINMPI-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172302 1276927773 /nfs/dbraw/zinc/92/77/73/1276927773.db2.gz PEXJGVACHYEAKX-LBPRGKRZSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177190 1276937873 /nfs/dbraw/zinc/93/78/73/1276937873.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001579180641 1276947414 /nfs/dbraw/zinc/94/74/14/1276947414.db2.gz TUCCKABNBDGPLO-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001579214547 1277008918 /nfs/dbraw/zinc/00/89/18/1277008918.db2.gz GTWGYNMKRPLOPS-KBPBESRZSA-N 2 0 372.477 0.674 20 0 FCADRP COc1cccc([C@H](CNC(=O)[C@]2(F)C[NH2+]CC23COC3)[NH+](C)C)c1 ZINC001579258838 1277054933 /nfs/dbraw/zinc/05/49/33/1277054933.db2.gz CJLCYUMUZSQKJF-MAUKXSAKSA-N 2 0 351.422 0.742 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579262968 1277061668 /nfs/dbraw/zinc/06/16/68/1277061668.db2.gz YFIZABUESKXBRY-MRXNPFEDSA-N 2 0 369.473 0.995 20 0 FCADRP COc1cccc(C[C@H]2CN(C(=O)c3cn(CCC[NH3+])nn3)CC[NH2+]2)c1 ZINC001579274260 1277081670 /nfs/dbraw/zinc/08/16/70/1277081670.db2.gz RNRYPMACLWCKSY-HNNXBMFYSA-N 2 0 358.446 0.292 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579322548 1277137322 /nfs/dbraw/zinc/13/73/22/1277137322.db2.gz BBJWYNMKKMNUFU-CYBMUJFWSA-N 2 0 370.461 0.641 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579322549 1277137997 /nfs/dbraw/zinc/13/79/97/1277137997.db2.gz BBJWYNMKKMNUFU-ZDUSSCGKSA-N 2 0 370.461 0.641 20 0 FCADRP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326586 1277149733 /nfs/dbraw/zinc/14/97/33/1277149733.db2.gz PRKORLKSQKIAPY-GFCCVEGCSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579326565 1277149862 /nfs/dbraw/zinc/14/98/62/1277149862.db2.gz KLSSXJVGPQNDRD-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327338 1277155588 /nfs/dbraw/zinc/15/55/88/1277155588.db2.gz QWXOBELQOJGMQR-UONOGXRCSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331794 1277162741 /nfs/dbraw/zinc/16/27/41/1277162741.db2.gz FQWMVIYYTTVQIC-IRXDYDNUSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001579331822 1277162875 /nfs/dbraw/zinc/16/28/75/1277162875.db2.gz GEFZUSNLNLHJFH-INIZCTEOSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332050 1277163723 /nfs/dbraw/zinc/16/37/23/1277163723.db2.gz IERCHQKGRSVEOR-WIHSUSGWSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579333972 1277168537 /nfs/dbraw/zinc/16/85/37/1277168537.db2.gz AWPCCDLISDEJOS-CYBMUJFWSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333363 1277168855 /nfs/dbraw/zinc/16/88/55/1277168855.db2.gz QEHDLNDTLBMGSE-RDJZCZTQSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335709 1277178095 /nfs/dbraw/zinc/17/80/95/1277178095.db2.gz UFHMQHVBGUIEFN-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579335960 1277178121 /nfs/dbraw/zinc/17/81/21/1277178121.db2.gz XHHYROIVKNKACJ-NZBPQXDJSA-N 2 0 368.445 0.012 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339435 1277183101 /nfs/dbraw/zinc/18/31/01/1277183101.db2.gz IERCHQKGRSVEOR-DJIMGWMZSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579339598 1277183683 /nfs/dbraw/zinc/18/36/83/1277183683.db2.gz KHNMWJXQOZHUJI-KFWWJZLASA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340043 1277185378 /nfs/dbraw/zinc/18/53/78/1277185378.db2.gz PMJKZSAUKJHMEO-KKUMJFAQSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347265 1277201411 /nfs/dbraw/zinc/20/14/11/1277201411.db2.gz ZRBMNXFAUODZMJ-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353087 1277208406 /nfs/dbraw/zinc/20/84/06/1277208406.db2.gz CVZXKLMHIKDKOJ-BBRMVZONSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358315 1277226607 /nfs/dbraw/zinc/22/66/07/1277226607.db2.gz BSZDFXFPPDWPJV-MRXNPFEDSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359763 1277233713 /nfs/dbraw/zinc/23/37/13/1277233713.db2.gz CLJYCNYBGWTZIX-ZIAGYGMSSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361603 1277238197 /nfs/dbraw/zinc/23/81/97/1277238197.db2.gz OUYPRTDVJYQESS-ZBFHGGJFSA-N 2 0 355.446 0.651 20 0 FCADRP CSC1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001579364943 1277243740 /nfs/dbraw/zinc/24/37/40/1277243740.db2.gz GRODVRYDBOQDKI-UHFFFAOYSA-N 2 0 352.508 0.760 20 0 FCADRP Cc1c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc2c[nH+]cn21 ZINC001579521787 1277476897 /nfs/dbraw/zinc/47/68/97/1277476897.db2.gz ASEICAZUMBQQOR-HNNXBMFYSA-N 2 0 355.442 0.927 20 0 FCADRP Cc1nnc(N2CC[NH2+][C@H](C)C2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001579910069 1277957539 /nfs/dbraw/zinc/95/75/39/1277957539.db2.gz CVSQICAYVVAHBF-CQSZACIVSA-N 2 0 357.462 0.665 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001579966202 1277981748 /nfs/dbraw/zinc/98/17/48/1277981748.db2.gz WXPJKJHPDIYFIS-ZDUSSCGKSA-N 2 0 373.461 0.565 20 0 FCADRP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015150 1277990185 /nfs/dbraw/zinc/99/01/85/1277990185.db2.gz NQNHZEMBXOBXIW-JSGCOSHPSA-N 2 0 373.461 0.421 20 0 FCADRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC001580030165 1277996860 /nfs/dbraw/zinc/99/68/60/1277996860.db2.gz NDRKSEPKPDARHP-OKILXGFUSA-N 2 0 373.461 0.564 20 0 FCADRP NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[NH+]2CCCC2)C1 ZINC001580089105 1278004063 /nfs/dbraw/zinc/00/40/63/1278004063.db2.gz KFXYKWFUXNUMTL-CABCVRRESA-N 2 0 361.494 0.500 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001580270075 1278062483 /nfs/dbraw/zinc/06/24/83/1278062483.db2.gz FGVJTIJTRSEVSE-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001580271554 1278063676 /nfs/dbraw/zinc/06/36/76/1278063676.db2.gz OYYAPJUWVFMPGS-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580270745 1278064373 /nfs/dbraw/zinc/06/43/73/1278064373.db2.gz WIIZFUIKMWHGDD-WCQYABFASA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001580271988 1278065881 /nfs/dbraw/zinc/06/58/81/1278065881.db2.gz VTFNWGXSXDMYHY-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001580867562 1279071387 /nfs/dbraw/zinc/07/13/87/1279071387.db2.gz KHYNAEOKEBECBN-IAGOWNOFSA-N 2 0 359.536 0.817 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940044 1279148392 /nfs/dbraw/zinc/14/83/92/1279148392.db2.gz JWLQQPBGIDUSNT-ZDUSSCGKSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942521 1279151517 /nfs/dbraw/zinc/15/15/17/1279151517.db2.gz QXHVDTOTJLTBED-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961620 1279165789 /nfs/dbraw/zinc/16/57/89/1279165789.db2.gz KQRQYAXZUUBRFS-CYBMUJFWSA-N 2 0 358.450 0.605 20 0 FCADRP Cc1cc(N2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580966767 1279168317 /nfs/dbraw/zinc/16/83/17/1279168317.db2.gz MOFYKJWYVAYNEE-CQSZACIVSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968769 1279169885 /nfs/dbraw/zinc/16/98/85/1279169885.db2.gz WUSWBWUEXIYXFA-HNNXBMFYSA-N 2 0 370.461 0.703 20 0 FCADRP Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988012 1279187161 /nfs/dbraw/zinc/18/71/61/1279187161.db2.gz OVDSSTDOPPRIQG-ZIAGYGMSSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988221 1279188811 /nfs/dbraw/zinc/18/88/11/1279188811.db2.gz QCOZWYGYTYGSOK-UONOGXRCSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991633 1279194863 /nfs/dbraw/zinc/19/48/63/1279194863.db2.gz RZDYNNYZDDGQFV-CYBMUJFWSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991760 1279196385 /nfs/dbraw/zinc/19/63/85/1279196385.db2.gz VPXXHXDGICNHFY-CYBMUJFWSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992919 1279198342 /nfs/dbraw/zinc/19/83/42/1279198342.db2.gz BKHRANVDVTWZCT-ZDUSSCGKSA-N 2 0 360.466 0.591 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993454 1279199054 /nfs/dbraw/zinc/19/90/54/1279199054.db2.gz IXLZMFYEPCWVOJ-MRXNPFEDSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994994 1279202668 /nfs/dbraw/zinc/20/26/68/1279202668.db2.gz VFQDDMYGEIQGSK-XJKSGUPXSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580998363 1279213413 /nfs/dbraw/zinc/21/34/13/1279213413.db2.gz FWGRPLWZKBNACB-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002673 1279218314 /nfs/dbraw/zinc/21/83/14/1279218314.db2.gz UXQJGHVQWDVESS-CHWSQXEVSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002573 1279219551 /nfs/dbraw/zinc/21/95/51/1279219551.db2.gz SGOKKQZKWRFCJO-MOKVOYLWSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004144 1279222770 /nfs/dbraw/zinc/22/27/70/1279222770.db2.gz MPIOUGROSQRMQK-UONOGXRCSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006052 1279224712 /nfs/dbraw/zinc/22/47/12/1279224712.db2.gz JOBPXWNKJWTFMJ-ZDUSSCGKSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006274 1279225035 /nfs/dbraw/zinc/22/50/35/1279225035.db2.gz NYXINNDRYPAXSN-ZDUSSCGKSA-N 2 0 356.434 0.101 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010260 1279236406 /nfs/dbraw/zinc/23/64/06/1279236406.db2.gz IDONKCYAOKOHJG-LBPRGKRZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010262 1279236596 /nfs/dbraw/zinc/23/65/96/1279236596.db2.gz IFJKMEGATLDITA-IAQYHMDHSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010825 1279237200 /nfs/dbraw/zinc/23/72/00/1279237200.db2.gz WNSKQFBDFHWAFB-LBPRGKRZSA-N 2 0 360.466 0.498 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011960 1279238386 /nfs/dbraw/zinc/23/83/86/1279238386.db2.gz PYLCYERDIQSPNL-BBRMVZONSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581020753 1279251855 /nfs/dbraw/zinc/25/18/55/1279251855.db2.gz KIRIURLUYBTWAM-ZFWWWQNUSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022413 1279253160 /nfs/dbraw/zinc/25/31/60/1279253160.db2.gz YRQKCNSLPWXDRM-AWEZNQCLSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024974 1279256129 /nfs/dbraw/zinc/25/61/29/1279256129.db2.gz LXJKHKPWQHUOAW-MLGOLLRUSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025163 1279257584 /nfs/dbraw/zinc/25/75/84/1279257584.db2.gz QASRCQNHMBZDQE-NHYWBVRUSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026027 1279259393 /nfs/dbraw/zinc/25/93/93/1279259393.db2.gz ANTXXHAKYMTKTK-INIZCTEOSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028299 1279264686 /nfs/dbraw/zinc/26/46/86/1279264686.db2.gz PCWWXMINZRYCMI-OKILXGFUSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036239 1279273379 /nfs/dbraw/zinc/27/33/79/1279273379.db2.gz HHFDHXWRXNUZKJ-AXAPSJFSSA-N 2 0 370.461 0.203 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038454 1279275091 /nfs/dbraw/zinc/27/50/91/1279275091.db2.gz MFRPGXLMCGKHQW-XEZPLFJOSA-N 2 0 370.461 0.393 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001715202433 1287346680 /nfs/dbraw/zinc/34/66/80/1287346680.db2.gz UICGNGZOJLSHTM-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001603477140 1287384529 /nfs/dbraw/zinc/38/45/29/1287384529.db2.gz ZBPHMFLUIZZLLC-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COC3CCOCC3)CC2)CC[N@@H+]1C ZINC001716682626 1287386627 /nfs/dbraw/zinc/38/66/27/1287386627.db2.gz RIHXJODVPLDMFG-BFYDXBDKSA-N 2 0 369.506 0.122 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H](O)COC3CCOCC3)CC2)CC[N@@H+]1C ZINC001716682627 1287386633 /nfs/dbraw/zinc/38/66/33/1287386633.db2.gz RIHXJODVPLDMFG-HLLBOEOZSA-N 2 0 369.506 0.122 20 0 FCADRP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603482179 1287387915 /nfs/dbraw/zinc/38/79/15/1287387915.db2.gz ZLPDBWWIDSYSNW-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001603483745 1287388148 /nfs/dbraw/zinc/38/81/48/1287388148.db2.gz YGXNLKDCBPYIIT-CYBMUJFWSA-N 2 0 370.465 0.025 20 0 FCADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603524967 1287404055 /nfs/dbraw/zinc/40/40/55/1287404055.db2.gz RVQMDZBSKUQYOV-ZDUSSCGKSA-N 2 0 370.461 0.476 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@@H](O)COC)CC2)CC[N@@H+]1C ZINC001717120823 1287407740 /nfs/dbraw/zinc/40/77/40/1287407740.db2.gz KRFWBKDSOVBTHU-HSFUPAIVSA-N 2 0 355.523 0.989 20 0 FCADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001717212159 1287412521 /nfs/dbraw/zinc/41/25/21/1287412521.db2.gz QXSFOJSZFQMLFT-NXHRZFHOSA-N 2 0 360.502 0.986 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581950319 1280780686 /nfs/dbraw/zinc/78/06/86/1280780686.db2.gz ZAQBGGFUQFSCBA-UKRRQHHQSA-N 2 0 368.445 0.038 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582099706 1281056553 /nfs/dbraw/zinc/05/65/53/1281056553.db2.gz YZBQWTPMFLNSND-UHFFFAOYSA-N 2 0 355.446 0.701 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001582100943 1281058262 /nfs/dbraw/zinc/05/82/62/1281058262.db2.gz WKLODBUGVJBLSV-VQFNDLOPSA-N 2 0 367.457 0.509 20 0 FCADRP O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CCC[NH+]1CCC2 ZINC001582396020 1281458538 /nfs/dbraw/zinc/45/85/38/1281458538.db2.gz KHKQHJAQQLVJJZ-UHFFFAOYSA-N 2 0 368.445 0.373 20 0 FCADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001589764435 1282987705 /nfs/dbraw/zinc/98/77/05/1282987705.db2.gz YYRMYDILEOWGTK-OAHLLOKOSA-N 2 0 363.441 0.798 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001589813033 1283038384 /nfs/dbraw/zinc/03/83/84/1283038384.db2.gz DSWWDYMUTIQGHT-WFASDCNBSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589820957 1283057494 /nfs/dbraw/zinc/05/74/94/1283057494.db2.gz UKHPZNIMMGWEJM-ZDUSSCGKSA-N 2 0 360.466 0.677 20 0 FCADRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC001589869593 1283102977 /nfs/dbraw/zinc/10/29/77/1283102977.db2.gz IABAMRUSPJSKBS-HUUCEWRRSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@]1(O)CC[NH+](Cc2cc(C[N@H+]3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150471 1283246895 /nfs/dbraw/zinc/24/68/95/1283246895.db2.gz QYABYZLYHIAKNJ-OALUTQOASA-N 2 0 372.473 0.780 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495320 1283624152 /nfs/dbraw/zinc/62/41/52/1283624152.db2.gz VCYNVGNAUVQXBN-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001590618245 1283653338 /nfs/dbraw/zinc/65/33/38/1283653338.db2.gz APKQPWOYAWWTPE-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001590734096 1283770831 /nfs/dbraw/zinc/77/08/31/1283770831.db2.gz XWCWCLMDLFIMEI-OAHLLOKOSA-N 2 0 372.477 0.750 20 0 FCADRP CC[NH2+]CC1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001590745573 1283797705 /nfs/dbraw/zinc/79/77/05/1283797705.db2.gz HSGRFYKOUUNDAF-HNNXBMFYSA-N 2 0 360.462 0.928 20 0 FCADRP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001591012758 1284073491 /nfs/dbraw/zinc/07/34/91/1284073491.db2.gz XPPXJCDUPQLCGJ-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001591038795 1284099897 /nfs/dbraw/zinc/09/98/97/1284099897.db2.gz UNTATUCBKZEPGG-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174894 1284262512 /nfs/dbraw/zinc/26/25/12/1284262512.db2.gz CJYLKKBARWODNN-KBPBESRZSA-N 2 0 370.461 0.546 20 0 FCADRP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001591178501 1284276834 /nfs/dbraw/zinc/27/68/34/1284276834.db2.gz KQGXOSMNELMVOH-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187368 1284298445 /nfs/dbraw/zinc/29/84/45/1284298445.db2.gz RJIFBSIHVQMAKY-DWTRPJMMSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187369 1284299078 /nfs/dbraw/zinc/29/90/78/1284299078.db2.gz RJIFBSIHVQMAKY-YIEVGGLXSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591189343 1284303826 /nfs/dbraw/zinc/30/38/26/1284303826.db2.gz PJNLCSWCKQNWRA-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)c(OC)c1)C2 ZINC001591284296 1284442211 /nfs/dbraw/zinc/44/22/11/1284442211.db2.gz GPIMXFPIZCHXIR-JCGVRSQUSA-N 2 0 372.429 0.588 20 0 FCADRP Cc1cc(N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000833 1285052721 /nfs/dbraw/zinc/05/27/21/1285052721.db2.gz ZKSSVTCZCIWQEE-FZKQIMNGSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049423 1285094875 /nfs/dbraw/zinc/09/48/75/1285094875.db2.gz UJHHLVARQIJDRA-STQMWFEESA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049400 1285095168 /nfs/dbraw/zinc/09/51/68/1285095168.db2.gz SZJHGIXOKNSQPI-OAHLLOKOSA-N 2 0 358.450 0.393 20 0 FCADRP Cn1ncc(-c2nn[nH]n2)c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001592597729 1285531709 /nfs/dbraw/zinc/53/17/09/1285531709.db2.gz MQPGJBOCKNOYNY-UHFFFAOYSA-N 2 0 368.449 0.619 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001593507928 1286186943 /nfs/dbraw/zinc/18/69/43/1286186943.db2.gz LYMWYLMGMGEWNR-HLLBOEOZSA-N 2 0 358.446 0.680 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001707222674 1287067249 /nfs/dbraw/zinc/06/72/49/1287067249.db2.gz GWAGNEKDTXKLRI-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001604854678 1287799452 /nfs/dbraw/zinc/79/94/52/1287799452.db2.gz RCJVGKKFXXKBMD-OIISXLGYSA-N 2 0 369.473 0.945 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001605007518 1287836046 /nfs/dbraw/zinc/83/60/46/1287836046.db2.gz OXBVMSNUQQRBGK-INIZCTEOSA-N 2 0 373.461 0.311 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001605445365 1287964972 /nfs/dbraw/zinc/96/49/72/1287964972.db2.gz NOUWOYWXHMJUSV-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726673 1288063411 /nfs/dbraw/zinc/06/34/11/1288063411.db2.gz JYNRTFQZBQMTLK-BBRMVZONSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733541 1288065423 /nfs/dbraw/zinc/06/54/23/1288065423.db2.gz FWSHXZSMRZUMIS-INIZCTEOSA-N 2 0 374.493 0.839 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001721149616 1288300082 /nfs/dbraw/zinc/30/00/82/1288300082.db2.gz SSMYUQHNNGISIF-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001606545636 1288374673 /nfs/dbraw/zinc/37/46/73/1288374673.db2.gz HWNZNRRESARYCZ-SHTZXODSSA-N 2 0 373.436 0.838 20 0 FCADRP FC(F)(F)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N1CC[NH2+]CC1 ZINC001609483656 1289177363 /nfs/dbraw/zinc/17/73/63/1289177363.db2.gz OXMUHGKSZBIGQC-ZDUSSCGKSA-N 2 0 355.368 0.792 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001734731948 1288672165 /nfs/dbraw/zinc/67/21/65/1288672165.db2.gz TZFMBBTZVBBDPS-OWCLPIDISA-N 2 0 352.523 0.879 20 0 FCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001609237099 1289011161 /nfs/dbraw/zinc/01/11/61/1289011161.db2.gz TUNHDBXZYWILCC-CYBMUJFWSA-N 2 0 359.438 0.356 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CC1 ZINC001691913036 1289341037 /nfs/dbraw/zinc/34/10/37/1289341037.db2.gz CMKZUIFKNOVVBL-WMLDXEAASA-N 2 0 350.507 0.729 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC ZINC001692052842 1289376994 /nfs/dbraw/zinc/37/69/94/1289376994.db2.gz MKBHOTRENDCGLZ-NUJGCVRESA-N 2 0 368.522 0.306 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001692061761 1289380013 /nfs/dbraw/zinc/38/00/13/1289380013.db2.gz JHZFJZDJPDKRFJ-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001692064287 1289382465 /nfs/dbraw/zinc/38/24/65/1289382465.db2.gz FLKPXGXINLFBAI-IKGGRYGDSA-N 2 0 370.513 0.973 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001692084215 1289390459 /nfs/dbraw/zinc/39/04/59/1289390459.db2.gz YFSFWJIEJVJESF-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCC[NH2+][C@@H]1CCNC1=O ZINC001692126395 1289402620 /nfs/dbraw/zinc/40/26/20/1289402620.db2.gz YFYZXFDASXHABA-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001692159039 1289410342 /nfs/dbraw/zinc/41/03/42/1289410342.db2.gz FQBJSWFRCFFGSI-BZUAXINKSA-N 2 0 366.506 0.740 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCNC(C)=O)[C@@H]2C)CC[N@@H+]1C ZINC001692164475 1289413102 /nfs/dbraw/zinc/41/31/02/1289413102.db2.gz YICOYRHUPZXZSL-LAVFITLUSA-N 2 0 368.522 0.448 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692281231 1289440705 /nfs/dbraw/zinc/44/07/05/1289440705.db2.gz WOEHNPXPMOFLRS-ZACQAIPSSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001698748775 1289534917 /nfs/dbraw/zinc/53/49/17/1289534917.db2.gz PJRRZKISUNFLCT-SQWLQELKSA-N 2 0 359.536 0.493 20 0 FCADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067834 1289545502 /nfs/dbraw/zinc/54/55/02/1289545502.db2.gz ZVHBCJCDRVEWPG-QRVBRYPASA-N 2 0 371.485 0.332 20 0 FCADRP C[C@H](CC[NH2+]CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102941 1289546704 /nfs/dbraw/zinc/54/67/04/1289546704.db2.gz WJPNMIWXZGOBHW-JHJVBQTASA-N 2 0 353.492 0.906 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699404001 1289552297 /nfs/dbraw/zinc/55/22/97/1289552297.db2.gz WZXSEWVZRPIFQU-BFHYXJOUSA-N 2 0 355.483 0.047 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001699750986 1289565498 /nfs/dbraw/zinc/56/54/98/1289565498.db2.gz JWWFPPWZBZPUAT-HRCADAONSA-N 2 0 359.536 0.732 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699813645 1289566851 /nfs/dbraw/zinc/56/68/51/1289566851.db2.gz MUTYVNXCABSXTL-QGPMSJSTSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001702197878 1289847975 /nfs/dbraw/zinc/84/79/75/1289847975.db2.gz YUMBOGNYJLWSNY-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739457731 1290033980 /nfs/dbraw/zinc/03/39/80/1290033980.db2.gz CWFMFSGSKZARLQ-BRWVUGGUSA-N 2 0 368.522 0.279 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CCC)C[C@@H]1O ZINC001739663046 1290326708 /nfs/dbraw/zinc/32/67/08/1290326708.db2.gz BIVRROLGOJLNCP-IKGGRYGDSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001739714977 1290381444 /nfs/dbraw/zinc/38/14/44/1290381444.db2.gz XBNMGRMLCFXAEA-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001754225991 1290626514 /nfs/dbraw/zinc/62/65/14/1290626514.db2.gz VCGSQKMDKDOTGW-GRYCIOLGSA-N 2 0 354.480 0.301 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)C1 ZINC001757247394 1290750574 /nfs/dbraw/zinc/75/05/74/1290750574.db2.gz SMIWFCULLIPWDY-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC2CCN(C(C)=O)CC2)CC1 ZINC001654760872 1291433075 /nfs/dbraw/zinc/43/30/75/1291433075.db2.gz LRGXWPMTGWQQFD-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001656134506 1291497798 /nfs/dbraw/zinc/49/77/98/1291497798.db2.gz CRVXAYQURICXTR-FVCCEPFGSA-N 2 0 364.412 0.490 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001656842504 1291566570 /nfs/dbraw/zinc/56/65/70/1291566570.db2.gz AZBYNAODKCEYFC-SJORKVTESA-N 2 0 367.538 0.816 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC001658106239 1291618991 /nfs/dbraw/zinc/61/89/91/1291618991.db2.gz PMEUCMUITPEYRK-INIZCTEOSA-N 2 0 358.527 0.831 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956302 1292286322 /nfs/dbraw/zinc/28/63/22/1292286322.db2.gz AWPCDSVVEPITOK-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001685085252 1292421761 /nfs/dbraw/zinc/42/17/61/1292421761.db2.gz GZMSBYFKEBOWJL-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001688985190 1294560571 /nfs/dbraw/zinc/56/05/71/1294560571.db2.gz UNHJLTVELVKXIS-ZNMIVQPWSA-N 2 0 364.494 0.357 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2ccns2)cn1 ZINC001689034371 1294580441 /nfs/dbraw/zinc/58/04/41/1294580441.db2.gz UWHNKDYWZJTNQU-JKSUJKDBSA-N 2 0 362.503 0.913 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689067130 1294589555 /nfs/dbraw/zinc/58/95/55/1294589555.db2.gz QJWOXFSEPITZMP-HZPDHXFCSA-N 2 0 368.522 0.448 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001689083856 1294602881 /nfs/dbraw/zinc/60/28/81/1294602881.db2.gz QODSWSLEDQDDCV-IKGGRYGDSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001689098510 1294617006 /nfs/dbraw/zinc/61/70/06/1294617006.db2.gz PSHJTNUASDSGSI-PBHICJAKSA-N 2 0 350.507 0.824 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001689106449 1294619992 /nfs/dbraw/zinc/61/99/92/1294619992.db2.gz GNFQOWJYGCRKIH-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001689101732 1294620148 /nfs/dbraw/zinc/62/01/48/1294620148.db2.gz PAKLAXPFPBYRIG-YCPHGPKFSA-N 2 0 364.494 0.149 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1)C1CCC1 ZINC001689222218 1294679881 /nfs/dbraw/zinc/67/98/81/1294679881.db2.gz GQSDWKFQWZCINE-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689229777 1294685036 /nfs/dbraw/zinc/68/50/36/1294685036.db2.gz ANLMGBREOVKLHI-SJORKVTESA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC001689314986 1294742171 /nfs/dbraw/zinc/74/21/71/1294742171.db2.gz URDMJAZJJFXQDS-NEPJUHHUSA-N 2 0 352.401 0.586 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001690576597 1294872026 /nfs/dbraw/zinc/87/20/26/1294872026.db2.gz DWMIXFDJRGSVBI-NJZAAPMLSA-N 2 0 364.494 0.410 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(n2)CC[NH2+]C4)CC3)CC1 ZINC001164794753 721509240 /nfs/dbraw/zinc/50/92/40/721509240.db2.gz VKEJQQHFUFKFHJ-UHFFFAOYSA-N 2 0 367.501 0.691 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933312 721881104 /nfs/dbraw/zinc/88/11/04/721881104.db2.gz LXIWIKHJQJIXLN-IRXDYDNUSA-N 2 0 360.506 0.822 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(c1cc3c(nn1)CC[NH2+]C3)CCC2 ZINC001165002216 722254953 /nfs/dbraw/zinc/25/49/53/722254953.db2.gz LPIQJHKHQBPBSS-UHFFFAOYSA-N 2 0 371.489 0.807 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001067535979 837464455 /nfs/dbraw/zinc/46/44/55/837464455.db2.gz JZABRYXHFCOJSM-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070158648 837628334 /nfs/dbraw/zinc/62/83/34/837628334.db2.gz UHLADFNBQMHOQL-PMPSAXMXSA-N 2 0 360.487 0.976 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209052 837634311 /nfs/dbraw/zinc/63/43/11/837634311.db2.gz KLDBZLVGEVKNJB-XHSDSOJGSA-N 2 0 352.458 0.852 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC001070574376 837659497 /nfs/dbraw/zinc/65/94/97/837659497.db2.gz JTIYPJFWUQVHBN-XJFOESAGSA-N 2 0 350.467 0.591 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099301907 844013702 /nfs/dbraw/zinc/01/37/02/844013702.db2.gz XCYXIJDMSGCIKB-FRRDWIJNSA-N 2 0 364.412 0.571 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CC([NH2+]CCCO)C2)CC1 ZINC001100341316 844051429 /nfs/dbraw/zinc/05/14/29/844051429.db2.gz RJNKAWPBFPEFKB-SYNTWQANSA-N 2 0 353.507 0.600 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267369 844126109 /nfs/dbraw/zinc/12/61/09/844126109.db2.gz BBLSAOFKVJBBBJ-SUMDDJOVSA-N 2 0 350.507 0.632 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266860 844126934 /nfs/dbraw/zinc/12/69/34/844126934.db2.gz ZFOBYZQXZBQEFA-QAPCUYQASA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279549 844131078 /nfs/dbraw/zinc/13/10/78/844131078.db2.gz PZVJNFRJRBVSQE-GJYPPUQNSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320124 844146232 /nfs/dbraw/zinc/14/62/32/844146232.db2.gz GODYEGZMFHBOLU-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)(F)C(=O)N(C)CC[NH+](C)C ZINC000748406987 836301331 /nfs/dbraw/zinc/30/13/31/836301331.db2.gz OXRVSCWKFWMDIF-UHFFFAOYSA-N 2 0 358.380 0.297 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC001101352693 844155777 /nfs/dbraw/zinc/15/57/77/844155777.db2.gz JSIQZAVAPKWRFK-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101352415 844155814 /nfs/dbraw/zinc/15/58/14/844155814.db2.gz FTWPKVKOGUKZJD-GJYPPUQNSA-N 2 0 350.507 0.728 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354158 844155888 /nfs/dbraw/zinc/15/58/88/844155888.db2.gz UBZDAMMKNSFNAS-SUMDDJOVSA-N 2 0 352.523 0.831 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363856 844160753 /nfs/dbraw/zinc/16/07/53/844160753.db2.gz CLJWKFOHOMNLBL-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101397077 844173415 /nfs/dbraw/zinc/17/34/15/844173415.db2.gz YQBKGPIGSNHWEL-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429791 844184280 /nfs/dbraw/zinc/18/42/80/844184280.db2.gz ADYUMRWZIBAHKN-SCTDSRPQSA-N 2 0 353.507 0.772 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621209 836701618 /nfs/dbraw/zinc/70/16/18/836701618.db2.gz PURSJYOWGKBAOD-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460436 844193704 /nfs/dbraw/zinc/19/37/04/844193704.db2.gz FOWPVJPJRKROPW-MDZRGWNJSA-N 2 0 350.507 0.491 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061899271 836720065 /nfs/dbraw/zinc/72/00/65/836720065.db2.gz UQHQSLCUWFQMQH-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101476198 844200847 /nfs/dbraw/zinc/20/08/47/844200847.db2.gz HRPUILNPXDYHGV-APWZRJJASA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[NH+]3CCCC3)CCC2)CC[N@@H+]1C ZINC001063228792 836758841 /nfs/dbraw/zinc/75/88/41/836758841.db2.gz JSMSXILWXPLOBN-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569513 838017312 /nfs/dbraw/zinc/01/73/12/838017312.db2.gz ZGSVBTWFSKCSTF-ARFHVFGLSA-N 2 0 364.515 0.703 20 0 FCADRP O=C(N[C@@H]1CN(CCOC2CCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440320 838968606 /nfs/dbraw/zinc/96/86/06/838968606.db2.gz JLHPVPPVCXCKII-KZNAEPCWSA-N 2 0 351.491 0.591 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001077778330 839152013 /nfs/dbraw/zinc/15/20/13/839152013.db2.gz DILXFIFGBPIOLU-OPQOLIRYSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2O)cn1 ZINC001077816986 839174773 /nfs/dbraw/zinc/17/47/73/839174773.db2.gz GQXFDBVIUDHRIZ-HZPDHXFCSA-N 2 0 351.495 0.656 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077927706 839234103 /nfs/dbraw/zinc/23/41/03/839234103.db2.gz AXBFBQBGWKHMPP-KBAYOESNSA-N 2 0 353.507 0.695 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175060 839382837 /nfs/dbraw/zinc/38/28/37/839382837.db2.gz VMWBLVKMDYYGNA-USXIJHARSA-N 2 0 351.878 0.996 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC001078404057 839458237 /nfs/dbraw/zinc/45/82/37/839458237.db2.gz QGFUKYGMIRDZRM-VNQPRFMTSA-N 2 0 367.519 0.976 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102188609 844438658 /nfs/dbraw/zinc/43/86/58/844438658.db2.gz BVLPGYWSMVENDB-KYJSFNMBSA-N 2 0 350.507 0.681 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079227337 839495171 /nfs/dbraw/zinc/49/51/71/839495171.db2.gz NWGRXHONNVUXFL-YESZJQIVSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243028 839498055 /nfs/dbraw/zinc/49/80/55/839498055.db2.gz HHHFZJXYIVQRRA-WCXIOVBPSA-N 2 0 351.491 0.258 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294217 844459740 /nfs/dbraw/zinc/45/97/40/844459740.db2.gz OTLGRXHRVGDTHU-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382616 839714744 /nfs/dbraw/zinc/71/47/44/839714744.db2.gz VATMLUAZMMQSEX-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP CCN(C(=O)C[NH+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080561129 839746393 /nfs/dbraw/zinc/74/63/93/839746393.db2.gz OMAWKDSJBLRRSW-ZMSDIMECSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102330111 844468159 /nfs/dbraw/zinc/46/81/59/844468159.db2.gz BZYBTKIYRJDYOI-BZUAXINKSA-N 2 0 361.552 0.691 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369942 844477294 /nfs/dbraw/zinc/47/72/94/844477294.db2.gz LGHBZANDYDOXPD-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001102378069 844480042 /nfs/dbraw/zinc/48/00/42/844480042.db2.gz MPGHTTXPGKFCFC-OAGGEKHMSA-N 2 0 356.511 0.163 20 0 FCADRP COCCC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102452821 844503237 /nfs/dbraw/zinc/50/32/37/844503237.db2.gz LGNGFDCMYPMNGG-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102475630 844516149 /nfs/dbraw/zinc/51/61/49/844516149.db2.gz XDBYSUWAATUSPO-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082512250 840444331 /nfs/dbraw/zinc/44/43/31/840444331.db2.gz UDZSJPVBSYZFJD-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001102515199 844546300 /nfs/dbraw/zinc/54/63/00/844546300.db2.gz IKJUJDIEIYFQTG-HUUCEWRRSA-N 2 0 350.463 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082570555 840470586 /nfs/dbraw/zinc/47/05/86/840470586.db2.gz QIGLCVQZZKVDKD-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513889 844544339 /nfs/dbraw/zinc/54/43/39/844544339.db2.gz FKYWFKPAGLTNOS-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514554 844546588 /nfs/dbraw/zinc/54/65/88/844546588.db2.gz AVVGTILPDCUBFO-HLLBOEOZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082653268 840512789 /nfs/dbraw/zinc/51/27/89/840512789.db2.gz CRLNSGYOOAXXEU-VPSOLEHFSA-N 2 0 363.487 0.338 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1)[NH+](C)C ZINC001082748481 840545933 /nfs/dbraw/zinc/54/59/33/840545933.db2.gz NREYVMIWRWBMCX-YUELXQCFSA-N 2 0 351.447 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082783635 840559376 /nfs/dbraw/zinc/55/93/76/840559376.db2.gz FXKSTPYJYBHICJ-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082822022 840574467 /nfs/dbraw/zinc/57/44/67/840574467.db2.gz DWWNFGBGHZONSS-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082921601 840603642 /nfs/dbraw/zinc/60/36/42/840603642.db2.gz WOCMOGYICUGROB-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923685 840605083 /nfs/dbraw/zinc/60/50/83/840605083.db2.gz XFJBMLQEBOFILW-CKEIUWERSA-N 2 0 350.463 0.888 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579764 844574517 /nfs/dbraw/zinc/57/45/17/844574517.db2.gz OJPVEJGLKQWTKK-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579489 844573949 /nfs/dbraw/zinc/57/39/49/844573949.db2.gz ACDUXYYSGOJMDU-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248194 840832419 /nfs/dbraw/zinc/83/24/19/840832419.db2.gz VITICJHVEYKFTN-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601306 844591592 /nfs/dbraw/zinc/59/15/92/844591592.db2.gz WJSQMPKYXKXOTD-BZUAXINKSA-N 2 0 361.552 0.691 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600632 844592648 /nfs/dbraw/zinc/59/26/48/844592648.db2.gz NUGOMOQJBJGUMB-HZPDHXFCSA-N 2 0 355.527 0.718 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083455413 841021135 /nfs/dbraw/zinc/02/11/35/841021135.db2.gz BXWSHCBMRCHNML-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563638 841173902 /nfs/dbraw/zinc/17/39/02/841173902.db2.gz YQPZXLPDRRPMDT-BBWFWOEESA-N 2 0 351.491 0.450 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833532 861219196 /nfs/dbraw/zinc/21/91/96/861219196.db2.gz JQQRBMNVWLDYPI-BEFAXECRSA-N 2 0 350.507 0.907 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054075 841668574 /nfs/dbraw/zinc/66/85/74/841668574.db2.gz VMWBLVKMDYYGNA-UAGQMJEPSA-N 2 0 351.878 0.996 20 0 FCADRP COC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450793 841797373 /nfs/dbraw/zinc/79/73/73/841797373.db2.gz ZLRCNQMVKJQEKA-BRWVUGGUSA-N 2 0 353.507 0.912 20 0 FCADRP CC[C@H](C(N)=O)N1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275878812 861243190 /nfs/dbraw/zinc/24/31/90/861243190.db2.gz LTMZDVNFGKJZQJ-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962402 841970791 /nfs/dbraw/zinc/97/07/91/841970791.db2.gz MZAQNAOHQIOWKR-IKGGRYGDSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962403 841971529 /nfs/dbraw/zinc/97/15/29/841971529.db2.gz MZAQNAOHQIOWKR-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085331891 842079354 /nfs/dbraw/zinc/07/93/54/842079354.db2.gz CPWBCLBCNIKUAG-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086091044 842120181 /nfs/dbraw/zinc/12/01/81/842120181.db2.gz FXXXBCYIXWUPLH-XPABHHOTSA-N 2 0 350.463 0.006 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001086091488 842120735 /nfs/dbraw/zinc/12/07/35/842120735.db2.gz ANSSUGGADOJDGS-VVLHAWIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086659982 842146116 /nfs/dbraw/zinc/14/61/16/842146116.db2.gz SKXAWDHMUKTQBF-RRFJBIMHSA-N 2 0 350.463 0.104 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087059830 842255198 /nfs/dbraw/zinc/25/51/98/842255198.db2.gz XFCJRBXVSRUPAA-FMKPAKJESA-N 2 0 367.519 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087062567 842258965 /nfs/dbraw/zinc/25/89/65/842258965.db2.gz LXINBLFTQVQYIN-DJIMGWMZSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087062884 842259186 /nfs/dbraw/zinc/25/91/86/842259186.db2.gz ZIHCUHNPMCNUSJ-FVQBIDKESA-N 2 0 353.467 0.671 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087062910 842259674 /nfs/dbraw/zinc/25/96/74/842259674.db2.gz ADPQYIHXEUSJIL-VNQPRFMTSA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087084795 842278065 /nfs/dbraw/zinc/27/80/65/842278065.db2.gz TYFDBXDVHMRQKD-OWCLPIDISA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083830 842278074 /nfs/dbraw/zinc/27/80/74/842278074.db2.gz URLASKFBXKRMFN-IIAWOOMASA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087101540 842291551 /nfs/dbraw/zinc/29/15/51/842291551.db2.gz PNWFWJLJIANDAT-HUUCEWRRSA-N 2 0 350.467 0.162 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087208811 842319674 /nfs/dbraw/zinc/31/96/74/842319674.db2.gz XYEZDCIOLKTZKJ-PVAVHDDUSA-N 2 0 350.507 0.824 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001087230679 842321931 /nfs/dbraw/zinc/32/19/31/842321931.db2.gz HXYPABIGVMZCMC-IKGGRYGDSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577629 842617184 /nfs/dbraw/zinc/61/71/84/842617184.db2.gz GFSOJNVKLGKBNL-TUVASFSCSA-N 2 0 350.463 0.055 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088817494 842687183 /nfs/dbraw/zinc/68/71/83/842687183.db2.gz SDZSUVBLPUJSQX-FZKCQIBNSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088860481 842698076 /nfs/dbraw/zinc/69/80/76/842698076.db2.gz NITSVWGHBVNOAL-ZNMIVQPWSA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCCC1=O ZINC001088899346 842708973 /nfs/dbraw/zinc/70/89/73/842708973.db2.gz ZZHDNZPBJDMKQQ-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941353 842776262 /nfs/dbraw/zinc/77/62/62/842776262.db2.gz HEIDYHCTCGQIOY-YESZJQIVSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091671977 843067968 /nfs/dbraw/zinc/06/79/68/843067968.db2.gz ATCOZMOLVWDZDU-CLCXKQKWSA-N 2 0 350.507 0.905 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721206 843081235 /nfs/dbraw/zinc/08/12/35/843081235.db2.gz WCTRMZKHDYMFNS-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809579 843102659 /nfs/dbraw/zinc/10/26/59/843102659.db2.gz LKWNEWIYYVJEFX-GJYPPUQNSA-N 2 0 350.507 0.633 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302243 843182681 /nfs/dbraw/zinc/18/26/81/843182681.db2.gz UZTMGCSRPHAEOI-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092508056 843224574 /nfs/dbraw/zinc/22/45/74/843224574.db2.gz RNOYIFZAICWWSK-FVQBIDKESA-N 2 0 366.531 0.997 20 0 FCADRP COC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092616180 843253419 /nfs/dbraw/zinc/25/34/19/843253419.db2.gz WIKIUCPNYLAEAV-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)CC[NH+]1C ZINC001092620391 843255396 /nfs/dbraw/zinc/25/53/96/843255396.db2.gz FMCXGNHTDPERNJ-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP COCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675624 843274425 /nfs/dbraw/zinc/27/44/25/843274425.db2.gz KERFIXVQANVVSS-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936815 843348962 /nfs/dbraw/zinc/34/89/62/843348962.db2.gz JPQAGPPRCLMRMC-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093287770 843421889 /nfs/dbraw/zinc/42/18/89/843421889.db2.gz MYEVESORYNHYCB-ZACQAIPSSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001093292747 843421983 /nfs/dbraw/zinc/42/19/83/843421983.db2.gz XEGZHYJDVWCAOC-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC3COC(C)(C)OC3)C2)OCC1=O ZINC001276345446 861420332 /nfs/dbraw/zinc/42/03/32/861420332.db2.gz BNTRMXHRXQWZKS-SFHVURJKSA-N 2 0 355.479 0.250 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093820860 843475313 /nfs/dbraw/zinc/47/53/13/843475313.db2.gz PMQZDXIMTAKUAB-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093820543 843475377 /nfs/dbraw/zinc/47/53/77/843475377.db2.gz LUPAVOXNJLZGCI-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094131253 843519422 /nfs/dbraw/zinc/51/94/22/843519422.db2.gz YLKPRIXJLYHLEB-ZACQAIPSSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094219975 843532686 /nfs/dbraw/zinc/53/26/86/843532686.db2.gz YYTURLARWMQSCW-QLFBSQMISA-N 2 0 352.458 0.383 20 0 FCADRP COCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276357503 861427619 /nfs/dbraw/zinc/42/76/19/861427619.db2.gz NCQLPSIGZYZQTN-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001094457244 843553918 /nfs/dbraw/zinc/55/39/18/843553918.db2.gz YQNQJJMSZSQREQ-FRQCXROJSA-N 2 0 350.507 0.953 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450243 843554380 /nfs/dbraw/zinc/55/43/80/843554380.db2.gz HUNVFLILNWEXMZ-GPMSIDNRSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371459 843911214 /nfs/dbraw/zinc/91/12/14/843911214.db2.gz RNOKXPROMWWXIS-LZLYRXPVSA-N 2 0 355.523 0.773 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092510 843961080 /nfs/dbraw/zinc/96/10/80/843961080.db2.gz DOIUILGZMOUWNJ-FCEWJHQRSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782815 844647531 /nfs/dbraw/zinc/64/75/31/844647531.db2.gz QJTYDRDTMHNQGP-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103086949 844699428 /nfs/dbraw/zinc/69/94/28/844699428.db2.gz YNMXHACOPPCNIY-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103309317 844735181 /nfs/dbraw/zinc/73/51/81/844735181.db2.gz VUOBUOIWTUIVBL-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374593 844744286 /nfs/dbraw/zinc/74/42/86/844744286.db2.gz KGIZYUIVLMMMDN-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](COCC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001103448574 844759873 /nfs/dbraw/zinc/75/98/73/844759873.db2.gz TVKSEBXPZQDMTK-BZUAXINKSA-N 2 0 354.495 0.047 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103550414 844777828 /nfs/dbraw/zinc/77/78/28/844777828.db2.gz OQROZJSCFUMYMG-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103644457 844793433 /nfs/dbraw/zinc/79/34/33/844793433.db2.gz AJZZPFMDWSQHPT-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104288052 844890639 /nfs/dbraw/zinc/89/06/39/844890639.db2.gz RVBNRQCWRLSAAQ-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CCO ZINC001104289527 844890699 /nfs/dbraw/zinc/89/06/99/844890699.db2.gz LTCIQZMRUWIYAR-NUJGCVRESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001104350667 844896862 /nfs/dbraw/zinc/89/68/62/844896862.db2.gz DUSFSQSXVHGIAX-BRWVUGGUSA-N 2 0 355.523 0.800 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104362980 844900730 /nfs/dbraw/zinc/90/07/30/844900730.db2.gz SVKHYBFMJLNTKK-ZIAGYGMSSA-N 2 0 351.499 0.515 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104621549 844926760 /nfs/dbraw/zinc/92/67/60/844926760.db2.gz GPABNNGKWAHJSE-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754928 844938994 /nfs/dbraw/zinc/93/89/94/844938994.db2.gz KGRJIWRAGXVHMJ-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104809695 844946343 /nfs/dbraw/zinc/94/63/43/844946343.db2.gz OPYWSGGMRUEMBE-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)s1 ZINC001104908440 844958696 /nfs/dbraw/zinc/95/86/96/844958696.db2.gz XESHSCYQYNNOTF-UKRRQHHQSA-N 2 0 369.535 0.999 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105642926 845006820 /nfs/dbraw/zinc/00/68/20/845006820.db2.gz OUOACZCGARFBQY-YKTARERQSA-N 2 0 355.523 0.675 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660794 845011379 /nfs/dbraw/zinc/01/13/79/845011379.db2.gz YNWIKARJOOULOM-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667279 845013778 /nfs/dbraw/zinc/01/37/78/845013778.db2.gz AFOFIIBBCBKPJK-ZAWLATJESA-N 2 0 355.523 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106143008 845113396 /nfs/dbraw/zinc/11/33/96/845113396.db2.gz JOXUNKIVOHBRPQ-DJIMGWMZSA-N 2 0 371.547 0.447 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106150973 845115237 /nfs/dbraw/zinc/11/52/37/845115237.db2.gz KFZLOCVOARPEAZ-WCXIOVBPSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106152309 845116083 /nfs/dbraw/zinc/11/60/83/845116083.db2.gz NYLGVVWAUMNDBV-WCXIOVBPSA-N 2 0 373.563 0.836 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106198562 845129852 /nfs/dbraw/zinc/12/98/52/845129852.db2.gz FRVJBXHOXZZPJO-FMKPAKJESA-N 2 0 356.486 0.629 20 0 FCADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001106246545 845142077 /nfs/dbraw/zinc/14/20/77/845142077.db2.gz NZVOBUSSLGKPGI-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106248029 845143191 /nfs/dbraw/zinc/14/31/91/845143191.db2.gz HKHJLWUNCBFDTC-KZNAEPCWSA-N 2 0 355.523 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106249664 845143292 /nfs/dbraw/zinc/14/32/92/845143292.db2.gz MQUKHYUDOBUKQD-BMFZPTHFSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106255736 845144269 /nfs/dbraw/zinc/14/42/69/845144269.db2.gz FOJORSJJDSVKST-HUUCEWRRSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106272321 845146466 /nfs/dbraw/zinc/14/64/66/845146466.db2.gz XUZXKEPQDZQQHM-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309064 845151677 /nfs/dbraw/zinc/15/16/77/845151677.db2.gz ODMWPROOWGHWHS-BRWVUGGUSA-N 2 0 353.507 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106321806 845153537 /nfs/dbraw/zinc/15/35/37/845153537.db2.gz FMMCGDJIKOXQAB-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106431319 845175023 /nfs/dbraw/zinc/17/50/23/845175023.db2.gz BDOHBXGHWJJBHW-UKRRQHHQSA-N 2 0 364.471 0.677 20 0 FCADRP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453022 845177077 /nfs/dbraw/zinc/17/70/77/845177077.db2.gz BNERIBLUOFYRDZ-LDBBTLTOSA-N 2 0 351.491 0.570 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599162 845202630 /nfs/dbraw/zinc/20/26/30/845202630.db2.gz BBLPUKUHUYHRKJ-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001106626967 845208619 /nfs/dbraw/zinc/20/86/19/845208619.db2.gz POXLZWQQZJUVLE-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106662722 845217112 /nfs/dbraw/zinc/21/71/12/845217112.db2.gz AASNUINXHOSBIC-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106662723 845217144 /nfs/dbraw/zinc/21/71/44/845217144.db2.gz AASNUINXHOSBIC-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106662891 845217758 /nfs/dbraw/zinc/21/77/58/845217758.db2.gz IUMXCIONLVAZME-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001106673368 845221228 /nfs/dbraw/zinc/22/12/28/845221228.db2.gz WRPFBPFGDKKSGD-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106784042 845251799 /nfs/dbraw/zinc/25/17/99/845251799.db2.gz AKXFNNLWNMPHGP-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106839402 845265025 /nfs/dbraw/zinc/26/50/25/845265025.db2.gz GPJBNOXHOMWMPI-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878277 845277447 /nfs/dbraw/zinc/27/74/47/845277447.db2.gz KGITZXQLQJIQBC-HZPDHXFCSA-N 2 0 356.511 0.117 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106878526 845277455 /nfs/dbraw/zinc/27/74/55/845277455.db2.gz QFRYVFGLFWMSAW-ZIAGYGMSSA-N 2 0 353.467 0.394 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106898687 845281654 /nfs/dbraw/zinc/28/16/54/845281654.db2.gz NJZPJXGSJFRUTD-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106898478 845282253 /nfs/dbraw/zinc/28/22/53/845282253.db2.gz HDBYXZJHCPYPEG-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C1CC1 ZINC001106984553 845301038 /nfs/dbraw/zinc/30/10/38/845301038.db2.gz SNQHCEBVGFFCRF-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)CC[N@@H+]1C ZINC001107410882 845367565 /nfs/dbraw/zinc/36/75/65/845367565.db2.gz YXWDIVUIHWYAAY-YWTNHNAXSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2 ZINC001107424578 845369167 /nfs/dbraw/zinc/36/91/67/845369167.db2.gz WCFKUUWCXZMFOX-HDMKZQKVSA-N 2 0 356.486 0.773 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438755 845373208 /nfs/dbraw/zinc/37/32/08/845373208.db2.gz IFKKWETZRCJLDF-HHXXYDBFSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107546563 845395451 /nfs/dbraw/zinc/39/54/51/845395451.db2.gz HUGWUGOUXUVICA-YQVWRLOYSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593451 845404295 /nfs/dbraw/zinc/40/42/95/845404295.db2.gz MTVRUKSDOAQTRM-SZVBFZGTSA-N 2 0 353.507 0.839 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629369 845411725 /nfs/dbraw/zinc/41/17/25/845411725.db2.gz BTSMVIAJRRVWAV-JFIYKMOQSA-N 2 0 371.547 0.734 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632100 845411987 /nfs/dbraw/zinc/41/19/87/845411987.db2.gz QJNPGADAVNWPFY-YQVWRLOYSA-N 2 0 353.507 0.962 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001111466496 846118172 /nfs/dbraw/zinc/11/81/72/846118172.db2.gz XMOFWMKUQMINFP-VQHPVUNQSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2)[NH+](C)C ZINC001111788996 846206722 /nfs/dbraw/zinc/20/67/22/846206722.db2.gz SENYXCWEFIWPIP-DAYGRLMNSA-N 2 0 351.495 0.323 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873316 846241761 /nfs/dbraw/zinc/24/17/61/846241761.db2.gz VEZKJJAHBYAQDZ-KHYOSLBOSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCC1CC1)C2 ZINC001111939909 846269129 /nfs/dbraw/zinc/26/91/29/846269129.db2.gz ZNSZMJLEHDZZRL-HKUYNNGSSA-N 2 0 353.507 0.962 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCN(C)C1=O)C2 ZINC001111950795 846272546 /nfs/dbraw/zinc/27/25/46/846272546.db2.gz ALOSEARUMIYJGZ-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CCOCC[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276874264 861663505 /nfs/dbraw/zinc/66/35/05/861663505.db2.gz GKJXSXLMEORWFB-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1)[NH+](C)C ZINC001112120466 846399371 /nfs/dbraw/zinc/39/93/71/846399371.db2.gz VFSVIRUOXLWCBP-MGPQQGTHSA-N 2 0 369.428 0.969 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112160245 846426409 /nfs/dbraw/zinc/42/64/09/846426409.db2.gz ZSJBFRVHNXBFSC-IJLUTSLNSA-N 2 0 350.385 0.196 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112182178 846442017 /nfs/dbraw/zinc/44/20/17/846442017.db2.gz TTWNWVRVFBFSEK-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112190234 846448810 /nfs/dbraw/zinc/44/88/10/846448810.db2.gz QXFGVWUXHKMIAZ-JHJVBQTASA-N 2 0 366.428 0.784 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)OC ZINC001112194318 846454326 /nfs/dbraw/zinc/45/43/26/846454326.db2.gz YMHRPUJOHSQTRH-MGPQQGTHSA-N 2 0 369.428 0.969 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001112194281 846454353 /nfs/dbraw/zinc/45/43/53/846454353.db2.gz WJQOBABGHARQSJ-MGPQQGTHSA-N 2 0 367.412 0.580 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206648 846464338 /nfs/dbraw/zinc/46/43/38/846464338.db2.gz ZHJJGGIQKNQLGY-MGPQQGTHSA-N 2 0 367.412 0.580 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112211964 846468742 /nfs/dbraw/zinc/46/87/42/846468742.db2.gz GEOCOUSDEGLPNL-CHWSQXEVSA-N 2 0 362.400 0.597 20 0 FCADRP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2)C(N)=O ZINC001112396823 846501323 /nfs/dbraw/zinc/50/13/23/846501323.db2.gz GMIHQLBAFDZQOE-DAYGRLMNSA-N 2 0 350.507 0.953 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410665 846502051 /nfs/dbraw/zinc/50/20/51/846502051.db2.gz KACOMMAPIOVZQM-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413225 846502242 /nfs/dbraw/zinc/50/22/42/846502242.db2.gz CWBUMWJLLFYUEP-DWRORGKVSA-N 2 0 355.523 0.798 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112529836 846516539 /nfs/dbraw/zinc/51/65/39/846516539.db2.gz RFEGUYYSIVMBLK-AOIWGVFYSA-N 2 0 353.507 0.555 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(CC)CC)C[C@H]32)CC[N@@H+]1C ZINC001114303928 846550210 /nfs/dbraw/zinc/55/02/10/846550210.db2.gz HLPNUPDOGKCFNO-ZNFSNMQZSA-N 2 0 350.507 0.632 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H](C)O)CC2 ZINC001276958740 861703909 /nfs/dbraw/zinc/70/39/09/861703909.db2.gz AHSJLUIFGLIEMS-CABCVRRESA-N 2 0 355.479 0.033 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276973281 861716660 /nfs/dbraw/zinc/71/66/60/861716660.db2.gz BQYPOUQNMFJEQB-HKUYNNGSSA-N 2 0 352.523 0.319 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(O)cc1 ZINC001117061685 846869383 /nfs/dbraw/zinc/86/93/83/846869383.db2.gz KNJCOXRBXMOTRU-UHFFFAOYSA-N 2 0 350.463 0.003 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001117396931 847000534 /nfs/dbraw/zinc/00/05/34/847000534.db2.gz KUNDNYBDSKFWFR-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001118034690 847256780 /nfs/dbraw/zinc/25/67/80/847256780.db2.gz HGKLSFPEGVXBMD-BBRMVZONSA-N 2 0 350.463 0.528 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001119343065 847817035 /nfs/dbraw/zinc/81/70/35/847817035.db2.gz BLNCHUNYWHWCDQ-MGPQQGTHSA-N 2 0 350.488 0.949 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cn1 ZINC001119764976 847968386 /nfs/dbraw/zinc/96/83/86/847968386.db2.gz DJKSHHAGNAALOO-HOTGVXAUSA-N 2 0 350.467 0.508 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119948408 848042966 /nfs/dbraw/zinc/04/29/66/848042966.db2.gz ILLIAMZVYSEFHD-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120499371 848222635 /nfs/dbraw/zinc/22/26/35/848222635.db2.gz AMECMVXRIZDPIS-KRWDZBQOSA-N 2 0 370.515 0.948 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC001120555766 848240813 /nfs/dbraw/zinc/24/08/13/848240813.db2.gz DKBUMWTYWUXBDS-UHFFFAOYSA-N 2 0 354.495 0.651 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001122009386 848433897 /nfs/dbraw/zinc/43/38/97/848433897.db2.gz NUPOFEORUSSYDV-BRSBDYLESA-N 2 0 352.523 0.676 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122055145 848441106 /nfs/dbraw/zinc/44/11/06/848441106.db2.gz GROBAFDWQLTHDW-KBXIAJHMSA-N 2 0 357.520 0.246 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001123663815 848621857 /nfs/dbraw/zinc/62/18/57/848621857.db2.gz HYSKOMXJDCHTDG-BZZMCLGOSA-N 2 0 350.507 0.259 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001123663817 848621890 /nfs/dbraw/zinc/62/18/90/848621890.db2.gz HYSKOMXJDCHTDG-DDBAPUKQSA-N 2 0 350.507 0.259 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001123839299 848643762 /nfs/dbraw/zinc/64/37/62/848643762.db2.gz XAQGEKOIKCMAJO-YESZJQIVSA-N 2 0 355.527 0.421 20 0 FCADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571355 848727027 /nfs/dbraw/zinc/72/70/27/848727027.db2.gz QFNGYKNTJRFCFE-ZBFHGGJFSA-N 2 0 367.519 0.799 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)CC[N@@H+]1C ZINC001127643690 848729897 /nfs/dbraw/zinc/72/98/97/848729897.db2.gz GXQOBCZCDFYANE-UKRRQHHQSA-N 2 0 352.504 0.453 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001127638774 848730059 /nfs/dbraw/zinc/73/00/59/848730059.db2.gz PUDULVGNDWOHLG-NVXWUHKLSA-N 2 0 367.515 0.896 20 0 FCADRP CCOCCN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049509 848800129 /nfs/dbraw/zinc/80/01/29/848800129.db2.gz ZCLPAGRLSMJCQT-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220464 848819335 /nfs/dbraw/zinc/81/93/35/848819335.db2.gz WUFNHBPGWKFTEP-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001129228140 848819581 /nfs/dbraw/zinc/81/95/81/848819581.db2.gz FNOJOBNLBUXQOP-KGLIPLIRSA-N 2 0 356.421 0.617 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129228102 848819775 /nfs/dbraw/zinc/81/97/75/848819775.db2.gz CEWMDXJHZCJMIO-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276628 848824485 /nfs/dbraw/zinc/82/44/85/848824485.db2.gz OWPKEZMJAUCCRX-PMPSAXMXSA-N 2 0 352.483 0.386 20 0 FCADRP CC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267196 848824986 /nfs/dbraw/zinc/82/49/86/848824986.db2.gz YCBAAEBSGPHQBZ-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894887 848909771 /nfs/dbraw/zinc/90/97/71/848909771.db2.gz WPARETGXAKRNRB-BMFZPTHFSA-N 2 0 352.458 0.852 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129899997 848912053 /nfs/dbraw/zinc/91/20/53/848912053.db2.gz WIGGUVULOJQWAP-OAGGEKHMSA-N 2 0 352.458 0.854 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129910047 848913020 /nfs/dbraw/zinc/91/30/20/848913020.db2.gz ACADGROWBSBHQJ-HGLTYJKISA-N 2 0 352.870 0.856 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983221 848926441 /nfs/dbraw/zinc/92/64/41/848926441.db2.gz RZILOIGJVUAPBX-KFWWJZLASA-N 2 0 352.458 0.710 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991935 848926562 /nfs/dbraw/zinc/92/65/62/848926562.db2.gz DDGBKUVXPDQIMX-OAGGEKHMSA-N 2 0 352.458 0.710 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991909 848926870 /nfs/dbraw/zinc/92/68/70/848926870.db2.gz CDUXVOWJMFTUOS-CVEARBPZSA-N 2 0 352.483 0.244 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)C(C)C ZINC001130057100 848937094 /nfs/dbraw/zinc/93/70/94/848937094.db2.gz IUGQYWYOSNNKGM-PMPSAXMXSA-N 2 0 354.474 0.956 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)[N@H+](C)CC)n1 ZINC001130221182 848978993 /nfs/dbraw/zinc/97/89/93/848978993.db2.gz YMEFLDYRNYIMCJ-STQMWFEESA-N 2 0 352.483 0.633 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+](CC)CC ZINC001130674853 849026103 /nfs/dbraw/zinc/02/61/03/849026103.db2.gz FHWYPLLNPIQKEU-UAGQMJEPSA-N 2 0 351.495 0.417 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130698390 849028049 /nfs/dbraw/zinc/02/80/49/849028049.db2.gz KYLJMSWQMHAJSU-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131010494 849070531 /nfs/dbraw/zinc/07/05/31/849070531.db2.gz NRURKXLNTXVDDV-INMHGKMJSA-N 2 0 351.495 0.537 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131091240 849078508 /nfs/dbraw/zinc/07/85/08/849078508.db2.gz BIEDEPKTKZBAQD-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CNc1nc(SC)ncc1CN1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001140842215 849372724 /nfs/dbraw/zinc/37/27/24/849372724.db2.gz VWIPBHYQQJDLJQ-UHFFFAOYSA-N 2 0 352.508 0.836 20 0 FCADRP CC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001277712089 862021274 /nfs/dbraw/zinc/02/12/74/862021274.db2.gz HIAVDPHXPQXRKM-MJGOQNOKSA-N 2 0 352.523 0.462 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](O)Cc1ccc(O)c(OC)c1 ZINC001143605571 849495144 /nfs/dbraw/zinc/49/51/44/849495144.db2.gz SRLHUCGLUNHMJQ-CQSZACIVSA-N 2 0 352.435 0.368 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCOCC(F)F)CCCO2)CC[N@@H+]1C ZINC001149733448 849645915 /nfs/dbraw/zinc/64/59/15/849645915.db2.gz DVRKVOCYKPOWJX-QLFBSQMISA-N 2 0 363.449 0.815 20 0 FCADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155021260 849825986 /nfs/dbraw/zinc/82/59/86/849825986.db2.gz VBIWYILKGKJNDK-STQMWFEESA-N 2 0 367.519 0.616 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001157324382 849963156 /nfs/dbraw/zinc/96/31/56/849963156.db2.gz YKCSDLOHCXRUOC-CVEARBPZSA-N 2 0 350.463 0.280 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626163 849984951 /nfs/dbraw/zinc/98/49/51/849984951.db2.gz BHFGMEWEKHWBQZ-FYSMJZIKSA-N 2 0 359.536 0.433 20 0 FCADRP C[NH+](C)C1CN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)C1 ZINC001157689769 849987978 /nfs/dbraw/zinc/98/79/78/849987978.db2.gz XXIFJNBAEMAJBX-ZDUSSCGKSA-N 2 0 373.238 0.933 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001157716664 849989119 /nfs/dbraw/zinc/98/91/19/849989119.db2.gz QMXQZRSMKDQJQY-HRCADAONSA-N 2 0 352.504 0.659 20 0 FCADRP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157857002 850000473 /nfs/dbraw/zinc/00/04/73/850000473.db2.gz YTZZOEWEQPXBPD-WCVJEAGWSA-N 2 0 354.495 0.053 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158030957 850014724 /nfs/dbraw/zinc/01/47/24/850014724.db2.gz CDCBOQJIRAKYAF-RDJZCZTQSA-N 2 0 356.536 0.913 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032911 850015186 /nfs/dbraw/zinc/01/51/86/850015186.db2.gz XXUZIDLLKWNEMF-HKUYNNGSSA-N 3 0 351.539 0.509 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071317 850015685 /nfs/dbraw/zinc/01/56/85/850015685.db2.gz ZWWFCPSQCAAHBE-MRXNPFEDSA-N 3 0 350.507 0.431 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)Cc1ccccc1Cl ZINC001158091472 850018026 /nfs/dbraw/zinc/01/80/26/850018026.db2.gz CWEINDGMVSCVCY-DYVFJYSZSA-N 2 0 350.850 0.290 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241000 850027649 /nfs/dbraw/zinc/02/76/49/850027649.db2.gz POSPEOARGVVHBB-GHMZBOCLSA-N 2 0 365.400 0.438 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158247827 850028582 /nfs/dbraw/zinc/02/85/82/850028582.db2.gz BSDISLAQVZJUBU-RYUDHWBXSA-N 2 0 362.396 0.530 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250524 850029098 /nfs/dbraw/zinc/02/90/98/850029098.db2.gz URJTVGOPPFWHNS-YNEHKIRRSA-N 2 0 363.380 0.813 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](C[NH3+])C(C)C)C2 ZINC001158383479 850043600 /nfs/dbraw/zinc/04/36/00/850043600.db2.gz NKZCADDRPMYMJL-GLQYFDAESA-N 2 0 365.396 0.761 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1CC[NH2+]CC1)C2 ZINC001158384292 850044778 /nfs/dbraw/zinc/04/47/78/850044778.db2.gz RTXIBGLKOARLAZ-HUUCEWRRSA-N 2 0 363.380 0.530 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158389878 850045320 /nfs/dbraw/zinc/04/53/20/850045320.db2.gz KWTWAWVKVXMFIK-ZIAGYGMSSA-N 2 0 355.483 0.048 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001158404621 850047836 /nfs/dbraw/zinc/04/78/36/850047836.db2.gz XUYXUGPYNDRLOA-NWDGAFQWSA-N 2 0 354.480 0.303 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC[N@@H+]1C ZINC001158412600 850048038 /nfs/dbraw/zinc/04/80/38/850048038.db2.gz QQNKRZZLLYYMKP-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1csc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001158428648 850048420 /nfs/dbraw/zinc/04/84/20/850048420.db2.gz MNLZQGCQKYXYDE-CHWSQXEVSA-N 2 0 353.492 0.826 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001158428849 850049145 /nfs/dbraw/zinc/04/91/45/850049145.db2.gz WOYGSAGZDHLGSK-ZYHUDNBSSA-N 2 0 354.480 0.221 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001158428708 850049373 /nfs/dbraw/zinc/04/93/73/850049373.db2.gz PPHNQEYGCFTRCU-WQVCFCJDSA-N 2 0 350.438 0.788 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533352 850059406 /nfs/dbraw/zinc/05/94/06/850059406.db2.gz KQWMKMOYRWPESX-OBZJAWTPSA-N 2 0 351.397 0.814 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C[C@H]2CF)CC1 ZINC001158568224 850060352 /nfs/dbraw/zinc/06/03/52/850060352.db2.gz NOUZBLLGDPTNCR-ZMSDIMECSA-N 3 0 352.498 0.986 20 0 FCADRP C[NH+](C)CCC(C)(C)Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001158753509 850073339 /nfs/dbraw/zinc/07/33/39/850073339.db2.gz FHQRQCCJGFAHRD-UHFFFAOYSA-N 2 0 355.508 0.711 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158890897 850083538 /nfs/dbraw/zinc/08/35/38/850083538.db2.gz PUTPWHOGNGFRDG-HNNXBMFYSA-N 3 0 353.511 0.036 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159292442 850106947 /nfs/dbraw/zinc/10/69/47/850106947.db2.gz XOGKQOGFRHKIKR-HOCLYGCPSA-N 2 0 350.507 0.809 20 0 FCADRP Nc1ncn(/C=C/C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159405676 850111875 /nfs/dbraw/zinc/11/18/75/850111875.db2.gz PVVCPXZYBGXNIO-ZDINUOIKSA-N 2 0 366.897 0.460 20 0 FCADRP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001159625513 850124792 /nfs/dbraw/zinc/12/47/92/850124792.db2.gz XDBYFRBHTWCVMK-SOLBZPMBSA-N 2 0 351.491 0.905 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853940 850141347 /nfs/dbraw/zinc/14/13/47/850141347.db2.gz CJTSXNBCOLNEIF-XIRDDKMYSA-N 3 0 350.438 0.556 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001159929335 850146333 /nfs/dbraw/zinc/14/63/33/850146333.db2.gz CMQKSTHTXHQJJP-LTIDMASMSA-N 2 0 352.523 0.769 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001160390505 850170597 /nfs/dbraw/zinc/17/05/97/850170597.db2.gz BWGPGYVKUKPTFR-HUUCEWRRSA-N 2 0 354.470 0.479 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160454738 850173479 /nfs/dbraw/zinc/17/34/79/850173479.db2.gz SINANCKOBMAUHC-ZDUSSCGKSA-N 2 0 366.428 0.963 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160477918 850175113 /nfs/dbraw/zinc/17/51/13/850175113.db2.gz HQWSGMDQMNNICU-QMMMGPOBSA-N 2 0 352.386 0.272 20 0 FCADRP [NH3+]C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)CC1 ZINC001160522294 850179393 /nfs/dbraw/zinc/17/93/93/850179393.db2.gz DPSQBGAIUAKQPN-UHFFFAOYSA-N 2 0 366.487 0.280 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001160557624 850181936 /nfs/dbraw/zinc/18/19/36/850181936.db2.gz WEVYIMGKOHDMFJ-ZDUSSCGKSA-N 2 0 364.471 0.777 20 0 FCADRP CCOC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160563914 850181949 /nfs/dbraw/zinc/18/19/49/850181949.db2.gz IEFDUOWYFBPDFU-NSHDSACASA-N 2 0 357.501 0.829 20 0 FCADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160699070 850192995 /nfs/dbraw/zinc/19/29/95/850192995.db2.gz ZAJGFFASZBVGTA-NEPJUHHUSA-N 2 0 352.401 0.621 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CCSC34C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160810760 850199536 /nfs/dbraw/zinc/19/95/36/850199536.db2.gz DZSFZJKMDSUSKJ-XJKCOSOUSA-N 2 0 353.488 0.083 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C[C@H]1C[NH2+]CC2 ZINC001160812041 850200822 /nfs/dbraw/zinc/20/08/22/850200822.db2.gz YDYQFBXQEHWUFE-HBUWYVDXSA-N 2 0 355.479 0.520 20 0 FCADRP CO[C@@H](CN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1)c1ccccc1 ZINC001160906667 850212522 /nfs/dbraw/zinc/21/25/22/850212522.db2.gz KAQJCIJKQGXAEV-IRXDYDNUSA-N 2 0 366.531 0.538 20 0 FCADRP O=C(N1CCC(Oc2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160913320 850213496 /nfs/dbraw/zinc/21/34/96/850213496.db2.gz VVLGUOZCHRRPJW-SJKOYZFVSA-N 2 0 365.865 0.699 20 0 FCADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C2 ZINC001160964637 850214776 /nfs/dbraw/zinc/21/47/76/850214776.db2.gz QYTQNZMCSOEWRY-TYNCELHUSA-N 2 0 364.412 0.573 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161019554 850221310 /nfs/dbraw/zinc/22/13/10/850221310.db2.gz FWKKFTPXKNOFGO-AGIUHOORSA-N 2 0 362.565 0.125 20 0 FCADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001161174926 850237435 /nfs/dbraw/zinc/23/74/35/850237435.db2.gz HAXHLQYGBOXMLE-OAGGEKHMSA-N 2 0 369.531 0.201 20 0 FCADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001161240275 850243011 /nfs/dbraw/zinc/24/30/11/850243011.db2.gz XSLJHTMWPNYTIA-GUYCJALGSA-N 2 0 351.426 0.208 20 0 FCADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001161245377 850243261 /nfs/dbraw/zinc/24/32/61/850243261.db2.gz DBUCEGGPSOMGAV-RHSMWYFYSA-N 2 0 368.478 0.263 20 0 FCADRP CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1C ZINC001161499148 850264980 /nfs/dbraw/zinc/26/49/80/850264980.db2.gz IHBKLCWDCKFRIQ-OFQRWUPVSA-N 2 0 354.495 0.175 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC001161493624 850265381 /nfs/dbraw/zinc/26/53/81/850265381.db2.gz QBFJDXXNENVAJN-CBBWQLFWSA-N 2 0 368.275 0.937 20 0 FCADRP C[NH+]1CC2(CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc3ccccc3)C2)C1 ZINC001161532941 850268744 /nfs/dbraw/zinc/26/87/44/850268744.db2.gz ZWISTHPDLNXQFI-OAHLLOKOSA-N 2 0 362.499 0.137 20 0 FCADRP C[NH+]1CCC(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)(N2CCOCC2)CC1 ZINC001161816772 850284756 /nfs/dbraw/zinc/28/47/56/850284756.db2.gz RRJHKRSNQBIHSU-INIZCTEOSA-N 2 0 356.486 0.333 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277833321 862121309 /nfs/dbraw/zinc/12/13/09/862121309.db2.gz BYGYJMABICZPKL-KRWDZBQOSA-N 3 0 354.539 0.565 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835801 862123006 /nfs/dbraw/zinc/12/30/06/862123006.db2.gz MHBXCVKXFCQARJ-DLBZAZTESA-N 2 0 354.539 0.469 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001164578551 850417430 /nfs/dbraw/zinc/41/74/30/850417430.db2.gz GWCKMBNUXWHDCT-GDBMZVCRSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001170878825 850670034 /nfs/dbraw/zinc/67/00/34/850670034.db2.gz RTYYOINPNYLXKG-QLFBSQMISA-N 2 0 351.499 0.705 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172529 850707437 /nfs/dbraw/zinc/70/74/37/850707437.db2.gz FKJDOCVBJNZBAW-BRSBDYLESA-N 2 0 351.491 0.809 20 0 FCADRP CC[NH+](CC)C1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001173104118 850718063 /nfs/dbraw/zinc/71/80/63/850718063.db2.gz JKFATSOUXKEJFE-UHFFFAOYSA-N 2 0 360.568 0.806 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522151 850724353 /nfs/dbraw/zinc/72/43/53/850724353.db2.gz XEIYOFHWANRSIR-DYVFJYSZSA-N 2 0 359.467 0.883 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178663727 850914231 /nfs/dbraw/zinc/91/42/31/850914231.db2.gz DNNDYYIJTWALKL-VXGBXAGGSA-N 2 0 357.455 0.065 20 0 FCADRP CC(C)(C)OC(=O)N1CCCO[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178710542 850919166 /nfs/dbraw/zinc/91/91/66/850919166.db2.gz DVKWYBFMPBRGCK-LBPRGKRZSA-N 2 0 357.455 0.473 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCN3CCCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001178740777 850923438 /nfs/dbraw/zinc/92/34/38/850923438.db2.gz SPRPJBPYAJYOFJ-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001278101466 862186669 /nfs/dbraw/zinc/18/66/69/862186669.db2.gz LQOFOPUHHUCMAP-GOSISDBHSA-N 2 0 369.579 0.689 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1c2cc(Cl)ccc2OCC1=O ZINC001180422064 851035385 /nfs/dbraw/zinc/03/53/85/851035385.db2.gz RCRBYNTVHBLBBW-UHFFFAOYSA-N 2 0 353.810 0.526 20 0 FCADRP C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N(c1ccccc1)S(C)(=O)=O ZINC001182105013 851155073 /nfs/dbraw/zinc/15/50/73/851155073.db2.gz UKFRGBMFHUXMIS-LBPRGKRZSA-N 2 0 355.464 0.302 20 0 FCADRP CC(C)N1CC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001182870836 851204547 /nfs/dbraw/zinc/20/45/47/851204547.db2.gz DSCVFWGZAPSDCN-INIZCTEOSA-N 2 0 366.487 0.415 20 0 FCADRP CC(C)[C@H](C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[NH+](C)C ZINC001183360010 851244624 /nfs/dbraw/zinc/24/46/24/851244624.db2.gz MWWBFPRMISMDSB-CQSZACIVSA-N 2 0 358.464 0.195 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001183577035 851252836 /nfs/dbraw/zinc/25/28/36/851252836.db2.gz VIPCAXWFKVOVQO-RBSFLKMASA-N 2 0 354.495 0.058 20 0 FCADRP [NH3+]CCN(CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(O)N=O ZINC001183576110 851252939 /nfs/dbraw/zinc/25/29/39/851252939.db2.gz YVRQDLQLODNCIA-OAHLLOKOSA-N 2 0 350.423 0.173 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001188964168 851738116 /nfs/dbraw/zinc/73/81/16/851738116.db2.gz XTDVTDVOXLYTEN-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189453354 851792852 /nfs/dbraw/zinc/79/28/52/851792852.db2.gz HELGYAAELMAIQU-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612131 851808449 /nfs/dbraw/zinc/80/84/49/851808449.db2.gz GDMNPKZGDRAPST-OKZBNKHCSA-N 2 0 353.507 0.647 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178392 851870813 /nfs/dbraw/zinc/87/08/13/851870813.db2.gz YKFXYGBZHGEGMA-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193447069 852429109 /nfs/dbraw/zinc/42/91/09/852429109.db2.gz INZLHQZOQTZZTA-MGPQQGTHSA-N 2 0 351.413 0.873 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755534 852482199 /nfs/dbraw/zinc/48/21/99/852482199.db2.gz MROCUGQQDHJBSK-KZNAEPCWSA-N 2 0 353.507 0.981 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039689 852529290 /nfs/dbraw/zinc/52/92/90/852529290.db2.gz SGUNVWKBHIANNL-IAGOWNOFSA-N 2 0 353.507 0.840 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001196206437 852913876 /nfs/dbraw/zinc/91/38/76/852913876.db2.gz CNFOOOKIDKKRNA-BHUNQDJPSA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)CC1 ZINC001197319334 853097454 /nfs/dbraw/zinc/09/74/54/853097454.db2.gz AFRSDPIPVWQNCB-HUUCEWRRSA-N 2 0 361.433 0.304 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319473 853097981 /nfs/dbraw/zinc/09/79/81/853097981.db2.gz IZKUAMOGANGRAI-IAGOWNOFSA-N 2 0 357.495 0.075 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1O ZINC001197536115 853128031 /nfs/dbraw/zinc/12/80/31/853128031.db2.gz KDQITFQCSPRQGV-HUUCEWRRSA-N 2 0 363.487 0.694 20 0 FCADRP CCc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948661 853190058 /nfs/dbraw/zinc/19/00/58/853190058.db2.gz KZNNPGCHAVLJNP-IAGOWNOFSA-N 2 0 352.479 0.939 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1O ZINC001197996619 853200302 /nfs/dbraw/zinc/20/03/02/853200302.db2.gz AFMAQRTUISUDES-HZPDHXFCSA-N 2 0 350.463 0.483 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653650 853296608 /nfs/dbraw/zinc/29/66/08/853296608.db2.gz LOFZAPKBJIYKKD-KZNAEPCWSA-N 2 0 353.507 0.696 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001199370128 853414083 /nfs/dbraw/zinc/41/40/83/853414083.db2.gz LWKDAHXUARHOJP-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CCC3)CC2)CC[N@@H+]1C ZINC001200637090 853506146 /nfs/dbraw/zinc/50/61/46/853506146.db2.gz QVOPLCFMIVWKQM-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001200643198 853506223 /nfs/dbraw/zinc/50/62/23/853506223.db2.gz BBPXYUMXAAJIPB-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP CCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229718 853520670 /nfs/dbraw/zinc/52/06/70/853520670.db2.gz HJLJNYGXZCXVGX-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334250 853603671 /nfs/dbraw/zinc/60/36/71/853603671.db2.gz ILKLOJNINBRLIZ-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205507575 853618058 /nfs/dbraw/zinc/61/80/58/853618058.db2.gz DXCZVMGDZWWKGO-YESZJQIVSA-N 2 0 353.507 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001207001105 853779589 /nfs/dbraw/zinc/77/95/89/853779589.db2.gz QMVRYIBCONTICV-XLNGHYISSA-N 2 0 350.507 0.679 20 0 FCADRP O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21)N1CCOCC1 ZINC001207436906 853813444 /nfs/dbraw/zinc/81/34/44/853813444.db2.gz LKAGXAHYIYQNBV-KURKYZTESA-N 2 0 351.491 0.429 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563494 853826012 /nfs/dbraw/zinc/82/60/12/853826012.db2.gz WXIJJQASOJJKHQ-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001207697648 853841651 /nfs/dbraw/zinc/84/16/51/853841651.db2.gz HQMCFFLTVZCILX-RBSFLKMASA-N 2 0 362.540 0.093 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114321 853897783 /nfs/dbraw/zinc/89/77/83/853897783.db2.gz OADMOGBBGPOUNA-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110950 853898008 /nfs/dbraw/zinc/89/80/08/853898008.db2.gz ZPTNYLDRYRDYCG-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447745 853935517 /nfs/dbraw/zinc/93/55/17/853935517.db2.gz OTRAHHFRFNZVGO-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208986118 853987898 /nfs/dbraw/zinc/98/78/98/853987898.db2.gz GWEHPUOJYOISND-MRXNPFEDSA-N 2 0 356.511 0.802 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327775 854019886 /nfs/dbraw/zinc/01/98/86/854019886.db2.gz PQWAJCJMWOSHEB-NVXWUHKLSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327857 854020005 /nfs/dbraw/zinc/02/00/05/854020005.db2.gz RQHGPAGQAATWSK-HLLBOEOZSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314939 854099664 /nfs/dbraw/zinc/09/96/64/854099664.db2.gz GWRHLNGMMXJPSH-NXHRZFHOSA-N 2 0 355.523 0.942 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001210499395 854114104 /nfs/dbraw/zinc/11/41/04/854114104.db2.gz YCDZMBVQYXIOBU-IXDOHACOSA-N 2 0 351.495 0.412 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444075 854199969 /nfs/dbraw/zinc/19/99/69/854199969.db2.gz NGKHXMPIMOOMSB-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(CCCC3CCOCC3)C2)CC[N@@H+]1C ZINC001278868303 862545558 /nfs/dbraw/zinc/54/55/58/862545558.db2.gz VKCCQQDXMCLJHV-NVXWUHKLSA-N 2 0 353.507 0.696 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192338 854528340 /nfs/dbraw/zinc/52/83/40/854528340.db2.gz QBNNTVNBBKDTMZ-RVKOJVRFSA-N 2 0 351.491 0.855 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526691 854652731 /nfs/dbraw/zinc/65/27/31/854652731.db2.gz UZUYHCFAPHKNJZ-IAGOWNOFSA-N 2 0 357.495 0.197 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213598770 854680759 /nfs/dbraw/zinc/68/07/59/854680759.db2.gz MUODIJHCCNXFFL-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213673194 854709880 /nfs/dbraw/zinc/70/98/80/854709880.db2.gz ATYPQWNJANTFBY-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759533 854754862 /nfs/dbraw/zinc/75/48/62/854754862.db2.gz PRWBDEKTDOEFEM-ARFHVFGLSA-N 2 0 356.511 0.304 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001213764746 854757220 /nfs/dbraw/zinc/75/72/20/854757220.db2.gz APBKDMGPYYRGHR-IAGOWNOFSA-N 2 0 351.495 0.510 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214335762 854927330 /nfs/dbraw/zinc/92/73/30/854927330.db2.gz IBPQJSHPMPHVHP-KFWWJZLASA-N 2 0 357.520 0.342 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001214343748 854928028 /nfs/dbraw/zinc/92/80/28/854928028.db2.gz FDXCEZVKQVHAEK-MRVWCRGKSA-N 2 0 365.503 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214343933 854928214 /nfs/dbraw/zinc/92/82/14/854928214.db2.gz KACCWNZSGNGUOH-UTUOFQBUSA-N 2 0 350.385 0.196 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636027 854983649 /nfs/dbraw/zinc/98/36/49/854983649.db2.gz AQWIVUFRHHVNHI-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655218 854986959 /nfs/dbraw/zinc/98/69/59/854986959.db2.gz DQTAGOHSMKXEFB-HLLBOEOZSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214661756 854987672 /nfs/dbraw/zinc/98/76/72/854987672.db2.gz CBHNRSNZIQVRKA-AAVRWANBSA-N 2 0 365.503 0.858 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214856041 855024372 /nfs/dbraw/zinc/02/43/72/855024372.db2.gz VVHKXNUKJGUHIE-BMFZPTHFSA-N 2 0 353.511 0.471 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214889844 855028491 /nfs/dbraw/zinc/02/84/91/855028491.db2.gz QDTQIOWFUZMIFH-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214889294 855028649 /nfs/dbraw/zinc/02/86/49/855028649.db2.gz IQMACHBBOPCTLI-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)[NH+](C)C ZINC001214952937 855038823 /nfs/dbraw/zinc/03/88/23/855038823.db2.gz SWCABMUTKHAWEB-RBSFLKMASA-N 2 0 362.540 0.045 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214948234 855039025 /nfs/dbraw/zinc/03/90/25/855039025.db2.gz LYZBEUMTJSHDCP-HZPDHXFCSA-N 2 0 371.547 0.734 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968775 855042237 /nfs/dbraw/zinc/04/22/37/855042237.db2.gz BGOSPCIRBCMIDD-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413598 855112390 /nfs/dbraw/zinc/11/23/90/855112390.db2.gz ISJROFGBRHHBGQ-BZUAXINKSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415574 855112447 /nfs/dbraw/zinc/11/24/47/855112447.db2.gz AVJDJAFDOUWEHG-BZUAXINKSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215415640 855112467 /nfs/dbraw/zinc/11/24/67/855112467.db2.gz FIGVKHLRMNUJJK-VXGBXAGGSA-N 2 0 366.491 0.255 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423276 855112698 /nfs/dbraw/zinc/11/26/98/855112698.db2.gz FHMHALOJJPFQCI-UKRRQHHQSA-N 2 0 354.520 0.997 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1)[NH+](C)C ZINC001215476411 855119910 /nfs/dbraw/zinc/11/99/10/855119910.db2.gz IDGBDRHBECNJBG-QGPMSJSTSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001215544295 855127294 /nfs/dbraw/zinc/12/72/94/855127294.db2.gz OAWJISNBAJVSKG-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001215571418 855128672 /nfs/dbraw/zinc/12/86/72/855128672.db2.gz NVRJVLDDAKKNKL-KFWWJZLASA-N 2 0 362.540 0.093 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1)[NH+](C)C ZINC001215571244 855129030 /nfs/dbraw/zinc/12/90/30/855129030.db2.gz GWDHVERLRFVQPN-UTUOFQBUSA-N 2 0 354.480 0.253 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1)[NH+](C)C ZINC001215571294 855129101 /nfs/dbraw/zinc/12/91/01/855129101.db2.gz JDCKZAQYQWKPJE-RTXFEEFZSA-N 2 0 368.507 0.562 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)C(C)C ZINC001215977301 855162514 /nfs/dbraw/zinc/16/25/14/855162514.db2.gz MQJKSVVQGAIEME-BZUAXINKSA-N 2 0 361.552 0.834 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001215990230 855163268 /nfs/dbraw/zinc/16/32/68/855163268.db2.gz XIFFWCXPAKGSIV-BZUAXINKSA-N 2 0 356.511 0.306 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1 ZINC001215993830 855163320 /nfs/dbraw/zinc/16/33/20/855163320.db2.gz FVZKOPWFYZSVSF-DGCLKSJQSA-N 2 0 368.507 0.563 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216001507 855164332 /nfs/dbraw/zinc/16/43/32/855164332.db2.gz FPLNDGHSKCADMG-ZIAGYGMSSA-N 2 0 367.519 0.884 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216225170 855180371 /nfs/dbraw/zinc/18/03/71/855180371.db2.gz AVZKPSVGWMAXAQ-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216225319 855180489 /nfs/dbraw/zinc/18/04/89/855180489.db2.gz DRWIJAZYXBMUIT-UKRRQHHQSA-N 2 0 371.503 0.961 20 0 FCADRP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)c1 ZINC001216401302 855199163 /nfs/dbraw/zinc/19/91/63/855199163.db2.gz JCBSRRLACPVCJC-RHSMWYFYSA-N 2 0 350.463 0.605 20 0 FCADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001216401838 855199604 /nfs/dbraw/zinc/19/96/04/855199604.db2.gz PGYYWJQYHTYLSV-NVXWUHKLSA-N 2 0 351.495 0.460 20 0 FCADRP CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409228 855199850 /nfs/dbraw/zinc/19/98/50/855199850.db2.gz DCOODDJOZAWKLT-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410165 855199956 /nfs/dbraw/zinc/19/99/56/855199956.db2.gz RQJUYUVUKGPFQJ-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413831 855201120 /nfs/dbraw/zinc/20/11/20/855201120.db2.gz SXEOZMQZFUXXDM-GDBMZVCRSA-N 2 0 350.463 0.861 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001216490595 855207311 /nfs/dbraw/zinc/20/73/11/855207311.db2.gz GCKPZPRQBJUYCG-IXDOHACOSA-N 2 0 351.495 0.412 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216503338 855208871 /nfs/dbraw/zinc/20/88/71/855208871.db2.gz PPTMGJLFNJEBOU-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1 ZINC001216499536 855208897 /nfs/dbraw/zinc/20/88/97/855208897.db2.gz NBKSSCMPRPWWSL-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216515984 855210954 /nfs/dbraw/zinc/21/09/54/855210954.db2.gz WOTDFQPFOBHZEJ-HZPDHXFCSA-N 2 0 361.552 0.978 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216754232 855232664 /nfs/dbraw/zinc/23/26/64/855232664.db2.gz LOAMFBAPTBRZKP-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216852396 855260625 /nfs/dbraw/zinc/26/06/25/855260625.db2.gz XVLGSXSIEBAZDU-OWCLPIDISA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216980327 855273172 /nfs/dbraw/zinc/27/31/72/855273172.db2.gz GXJCUHHBDFGAEW-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218087127 855396169 /nfs/dbraw/zinc/39/61/69/855396169.db2.gz BWHSNVOQANRFQO-OKZBNKHCSA-N 2 0 353.507 0.912 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OC1CC[NH+](CCF)CC1 ZINC001218223089 855408284 /nfs/dbraw/zinc/40/82/84/855408284.db2.gz VKVJSIQQBBRQEJ-UHFFFAOYSA-N 2 0 356.398 0.975 20 0 FCADRP CSc1nnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(SC)n1 ZINC001218521919 855432848 /nfs/dbraw/zinc/43/28/48/855432848.db2.gz CKSIFJLONQLCJT-SECBINFHSA-N 2 0 357.509 0.004 20 0 FCADRP CCOC(=O)c1ncn2c1cccc2NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218532210 855435368 /nfs/dbraw/zinc/43/53/68/855435368.db2.gz FQPLIJAPJLDALM-JTQLQIEISA-N 2 0 351.432 0.469 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]32)CC1 ZINC001218550617 855437797 /nfs/dbraw/zinc/43/77/97/855437797.db2.gz GZUBWQNBIOJCON-IXDOHACOSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(Nc1cn2cc(Br)ccc2n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218589705 855444862 /nfs/dbraw/zinc/44/48/62/855444862.db2.gz UKAQNHRQGWWZPM-JTQLQIEISA-N 2 0 350.220 0.844 20 0 FCADRP O=C(Nc1ncnc2[nH]cc(Br)c21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218614051 855450849 /nfs/dbraw/zinc/45/08/49/855450849.db2.gz ABHMUEYNPWRHSY-SSDOTTSWSA-N 2 0 351.208 0.468 20 0 FCADRP COc1ccc(Br)nc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218618527 855451862 /nfs/dbraw/zinc/45/18/62/855451862.db2.gz RFRSBGYEJSCSGR-JTQLQIEISA-N 2 0 372.267 0.542 20 0 FCADRP COc1ccc(Br)nc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218618699 855451955 /nfs/dbraw/zinc/45/19/55/855451955.db2.gz VGJZOPQJDMXEQM-YMTOWFKASA-N 2 0 355.236 0.990 20 0 FCADRP CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218649195 855457143 /nfs/dbraw/zinc/45/71/43/855457143.db2.gz AUOAZFWYWLXAQX-ZCFIWIBFSA-N 2 0 350.206 0.965 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218644110 855457350 /nfs/dbraw/zinc/45/73/50/855457350.db2.gz SIJKYDNECOMZKE-VHSXEESVSA-N 2 0 351.436 0.093 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC001218772182 855477471 /nfs/dbraw/zinc/47/74/71/855477471.db2.gz KIPPBUGEYUOKMV-RYUDHWBXSA-N 2 0 358.393 0.664 20 0 FCADRP NC(=O)c1cc(Br)ccc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218844399 855484814 /nfs/dbraw/zinc/48/48/14/855484814.db2.gz VRESWFQVCFNDSQ-LBPRGKRZSA-N 2 0 355.236 0.813 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218849991 855485785 /nfs/dbraw/zinc/48/57/85/855485785.db2.gz CIGGSEZXSRQWMO-AWEZNQCLSA-N 2 0 352.460 0.117 20 0 FCADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001218872694 855489325 /nfs/dbraw/zinc/48/93/25/855489325.db2.gz AJYCTOKLWDTIIO-YOEHRIQHSA-N 2 0 350.438 0.830 20 0 FCADRP O=C(C[C@H]1C[NH2+]CC1(F)F)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882409 855491214 /nfs/dbraw/zinc/49/12/14/855491214.db2.gz SIIBQOCOMUHDJK-LBPRGKRZSA-N 2 0 352.385 0.915 20 0 FCADRP COC(=O)c1cc(O)c(F)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219080898 855541332 /nfs/dbraw/zinc/54/13/32/855541332.db2.gz ILDOZRFSLSZVNL-LBPRGKRZSA-N 2 0 354.382 0.007 20 0 FCADRP C[C@]1(C(=O)N(c2cccc(F)c2N)C2CC[NH2+]CC2)CC[NH2+]C[C@@H]1O ZINC001219280217 855615450 /nfs/dbraw/zinc/61/54/50/855615450.db2.gz BHPKTCOUOSHOKL-YJBOKZPZSA-N 2 0 350.438 0.853 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219293849 855620784 /nfs/dbraw/zinc/62/07/84/855620784.db2.gz SAUYHJVWBIRHRE-ZDUSSCGKSA-N 3 0 355.483 0.711 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302926 855622429 /nfs/dbraw/zinc/62/24/29/855622429.db2.gz BNVLAJFWNPAJGP-RZFZLAGVSA-N 2 0 357.451 0.991 20 0 FCADRP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219565604 855717164 /nfs/dbraw/zinc/71/71/64/855717164.db2.gz KRCRZKJCWOCVPO-LBPRGKRZSA-N 2 0 350.854 0.024 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618185 855735874 /nfs/dbraw/zinc/73/58/74/855735874.db2.gz XQKNFTATMOZRAU-KCQAQPDRSA-N 2 0 363.355 0.754 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741460 855795058 /nfs/dbraw/zinc/79/50/58/855795058.db2.gz LKYHPUYEAFMCJZ-TXPKVOOTSA-N 2 0 351.491 0.953 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219743739 855795251 /nfs/dbraw/zinc/79/52/51/855795251.db2.gz KVYQVFVOHBAXDH-ULQDDVLXSA-N 2 0 350.507 0.620 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219812699 855828386 /nfs/dbraw/zinc/82/83/86/855828386.db2.gz GYLGCKFJLUNAPN-JZXOWHBKSA-N 2 0 364.515 0.437 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815924 855830034 /nfs/dbraw/zinc/83/00/34/855830034.db2.gz QXZWSFPCRNOCSM-KGLIPLIRSA-N 2 0 367.412 0.601 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219833723 855837475 /nfs/dbraw/zinc/83/74/75/855837475.db2.gz HYCIMUOXRZVZBK-MDZRGWNJSA-N 2 0 351.491 0.668 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)C[NH2+]CC2 ZINC001219843923 855843166 /nfs/dbraw/zinc/84/31/66/855843166.db2.gz FSCDXABSJBPGMI-SJCJKPOMSA-N 2 0 351.472 0.519 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1csc(C2CC[NH2+]CC2)n1 ZINC001219851772 855846535 /nfs/dbraw/zinc/84/65/35/855846535.db2.gz DROFCCJDEFJSMI-KCQAQPDRSA-N 2 0 350.488 0.964 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCC[NH2+]CCO)cc1 ZINC001219918230 855878201 /nfs/dbraw/zinc/87/82/01/855878201.db2.gz IIFRINHQMSHNSR-HNNXBMFYSA-N 2 0 351.447 0.210 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219938743 855888207 /nfs/dbraw/zinc/88/82/07/855888207.db2.gz BXOCKDMLMCXNCH-HNNXBMFYSA-N 2 0 370.475 0.072 20 0 FCADRP CN(C)Cc1nc(CSCCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cs1 ZINC001220128557 855973841 /nfs/dbraw/zinc/97/38/41/855973841.db2.gz JLFQAMUQXQCFOB-CYBMUJFWSA-N 2 0 369.560 0.363 20 0 FCADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281887 856042654 /nfs/dbraw/zinc/04/26/54/856042654.db2.gz CWYJSSPQBOQQQQ-JYJNAYRXSA-N 2 0 364.515 0.272 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CCN(c2ncccc2Cl)CC1 ZINC001220304272 856055091 /nfs/dbraw/zinc/05/50/91/856055091.db2.gz WUEVVXTXDLVYMT-ZDUSSCGKSA-N 2 0 357.911 0.839 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH+](C)CC1 ZINC001220345697 856077777 /nfs/dbraw/zinc/07/77/77/856077777.db2.gz MERIWTNXLUZEGL-AWEZNQCLSA-N 3 0 352.479 0.004 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ncc(Br)[nH]c1=O ZINC001220398660 856106655 /nfs/dbraw/zinc/10/66/55/856106655.db2.gz ICETXFQRXKEOOQ-VIFPVBQESA-N 2 0 360.256 0.967 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220521608 856165137 /nfs/dbraw/zinc/16/51/37/856165137.db2.gz JVVBNAGFXPEOQX-FZKQIMNGSA-N 2 0 351.447 0.462 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607743 856204268 /nfs/dbraw/zinc/20/42/68/856204268.db2.gz OLGONSDWZHHTGZ-CHWSQXEVSA-N 3 0 353.264 0.374 20 0 FCADRP CCCC[C@@](CC)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220638437 856215632 /nfs/dbraw/zinc/21/56/32/856215632.db2.gz SPXVFIPTDJZHHX-MAUKXSAKSA-N 2 0 356.511 0.755 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220690033 856245074 /nfs/dbraw/zinc/24/50/74/856245074.db2.gz OPEJPXQLLACXKW-HOTGVXAUSA-N 2 0 364.515 0.561 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220804790 856308826 /nfs/dbraw/zinc/30/88/26/856308826.db2.gz PNVLKUJFSHCOKZ-WDEREUQCSA-N 2 0 358.368 0.156 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[NH2+]C1 ZINC001220827592 856328111 /nfs/dbraw/zinc/32/81/11/856328111.db2.gz UOIKMOONHCEZIP-CYBMUJFWSA-N 2 0 368.231 0.986 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCc2ccc(C)cc2)C[NH2+]C1 ZINC001220850939 856336549 /nfs/dbraw/zinc/33/65/49/856336549.db2.gz AZAXGFLXHKYHGE-AWEZNQCLSA-N 2 0 351.472 0.577 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220936514 856385090 /nfs/dbraw/zinc/38/50/90/856385090.db2.gz GQKLDQOMIKAWMP-HZPDHXFCSA-N 2 0 352.504 0.579 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220935892 856385154 /nfs/dbraw/zinc/38/51/54/856385154.db2.gz AAUGALMVZPSDNK-XGUBFFRZSA-N 2 0 374.551 0.092 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220936515 856385174 /nfs/dbraw/zinc/38/51/74/856385174.db2.gz GQKLDQOMIKAWMP-JKSUJKDBSA-N 2 0 352.504 0.579 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003725 856418395 /nfs/dbraw/zinc/41/83/95/856418395.db2.gz FJNCARSIBGLQAG-KWQMQONOSA-N 2 0 352.504 0.776 20 0 FCADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221007015 856420370 /nfs/dbraw/zinc/42/03/70/856420370.db2.gz RQLARVCJLYERQJ-IXYNUQLISA-N 2 0 356.511 0.623 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001221073459 856450244 /nfs/dbraw/zinc/45/02/44/856450244.db2.gz XLTBBDGWSUMART-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221129244 856473145 /nfs/dbraw/zinc/47/31/45/856473145.db2.gz YYKIQHLLEXGMKA-HNNXBMFYSA-N 2 0 356.536 0.817 20 0 FCADRP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221128272 856473840 /nfs/dbraw/zinc/47/38/40/856473840.db2.gz LPCJEBQJYSLFRB-HNNXBMFYSA-N 2 0 369.531 0.439 20 0 FCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221148695 856484601 /nfs/dbraw/zinc/48/46/01/856484601.db2.gz LISQEUGHSKTMTO-XJKSGUPXSA-N 2 0 366.487 0.321 20 0 FCADRP COc1cccc2c1SC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221303444 856543289 /nfs/dbraw/zinc/54/32/89/856543289.db2.gz LNJMFYSTYBJRSR-CABCVRRESA-N 2 0 364.515 0.579 20 0 FCADRP CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359047 856554790 /nfs/dbraw/zinc/55/47/90/856554790.db2.gz ZWVVZWUIHPAPLI-HZPDHXFCSA-N 2 0 352.523 0.724 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366527 856555568 /nfs/dbraw/zinc/55/55/68/856555568.db2.gz OUUMIPMNTHJGOA-VNHYZAJKSA-N 2 0 351.426 0.125 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406588 856559507 /nfs/dbraw/zinc/55/95/07/856559507.db2.gz HDFNBNVUVDQVMH-OWCLPIDISA-N 2 0 371.547 0.636 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCOCCOC)C[C@H]21 ZINC001221587762 856614034 /nfs/dbraw/zinc/61/40/34/856614034.db2.gz HEIBDAOHMJGIPF-IXDOHACOSA-N 2 0 359.486 0.862 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221921908 856733863 /nfs/dbraw/zinc/73/38/63/856733863.db2.gz PPYWUNFHDLBSBM-HUUCEWRRSA-N 2 0 350.463 0.010 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947182 856744203 /nfs/dbraw/zinc/74/42/03/856744203.db2.gz WTENICSNHRGTFX-HZSPNIEDSA-N 2 0 367.412 0.411 20 0 FCADRP CCO[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950625 856745487 /nfs/dbraw/zinc/74/54/87/856745487.db2.gz QCKNOSHYFGWIPV-KZNAEPCWSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969043 856753359 /nfs/dbraw/zinc/75/33/59/856753359.db2.gz NWUHHJDNZLLKKK-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018259 856770116 /nfs/dbraw/zinc/77/01/16/856770116.db2.gz USQRYDLVYVDUMR-FGTMMUONSA-N 2 0 353.507 0.648 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001222049771 856784116 /nfs/dbraw/zinc/78/41/16/856784116.db2.gz LRTIMSLDDAGISF-KZNAEPCWSA-N 2 0 353.507 0.648 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892046 856880813 /nfs/dbraw/zinc/88/08/13/856880813.db2.gz LIPHIGWRGYHEQP-NJAFHUGGSA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222897921 856881504 /nfs/dbraw/zinc/88/15/04/856881504.db2.gz OAPWFTQBVSCLSA-WBVHZDCISA-N 2 0 350.507 0.918 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222920952 856881730 /nfs/dbraw/zinc/88/17/30/856881730.db2.gz AMOBDOJSAFQQFE-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505620 856921379 /nfs/dbraw/zinc/92/13/79/856921379.db2.gz KUQBBLAVYYUICN-KURKYZTESA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCCOC3)[C@H]2C1 ZINC001223916252 856950758 /nfs/dbraw/zinc/95/07/58/856950758.db2.gz CQBKXLCZWVWDOJ-KURKYZTESA-N 2 0 353.507 0.914 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131428 856962054 /nfs/dbraw/zinc/96/20/54/856962054.db2.gz ZKRDCWWIUUUPHV-ZACQAIPSSA-N 2 0 350.507 0.729 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346442 857036101 /nfs/dbraw/zinc/03/61/01/857036101.db2.gz MTQJBTDHWKQVKP-OAGGEKHMSA-N 2 0 359.536 0.922 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225379149 857038264 /nfs/dbraw/zinc/03/82/64/857038264.db2.gz XZMRIHXYTAGZLN-BZUAXINKSA-N 2 0 354.495 0.250 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226296712 857096383 /nfs/dbraw/zinc/09/63/83/857096383.db2.gz NDRRKFWXRGKDMJ-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001227150171 857145481 /nfs/dbraw/zinc/14/54/81/857145481.db2.gz LLTJPRKSSJVEKN-MGPQQGTHSA-N 2 0 352.479 0.539 20 0 FCADRP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227613807 857166751 /nfs/dbraw/zinc/16/67/51/857166751.db2.gz NFXOWHUBHBVXGD-CBYDULDESA-N 2 0 351.491 0.903 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)CC1 ZINC001228215983 857197286 /nfs/dbraw/zinc/19/72/86/857197286.db2.gz OGGTUOZHYJEYRP-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365326 857206282 /nfs/dbraw/zinc/20/62/82/857206282.db2.gz BQPUOIFITNVQEE-BFHYXJOUSA-N 2 0 355.483 0.189 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001228366510 857206703 /nfs/dbraw/zinc/20/67/03/857206703.db2.gz RDHXEDCHIUDDNK-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001228445929 857209649 /nfs/dbraw/zinc/20/96/49/857209649.db2.gz XPSZBVBGORGGKM-RBSFLKMASA-N 2 0 362.540 0.139 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001229693445 857281705 /nfs/dbraw/zinc/28/17/05/857281705.db2.gz SMCDMISUHWHPQU-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CCn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709222 857283692 /nfs/dbraw/zinc/28/36/92/857283692.db2.gz DUTLOBMQCVZNRW-HZPDHXFCSA-N 2 0 351.495 0.998 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001229801220 857287472 /nfs/dbraw/zinc/28/74/72/857287472.db2.gz NMWIEQJDGMFWEI-RBSFLKMASA-N 2 0 352.479 0.541 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229859840 857290183 /nfs/dbraw/zinc/29/01/83/857290183.db2.gz FFTCYJNHKJHPKT-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229868823 857290494 /nfs/dbraw/zinc/29/04/94/857290494.db2.gz PLYXSIZHDKBJLT-HUUCEWRRSA-N 2 0 362.540 0.237 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001230274831 857322712 /nfs/dbraw/zinc/32/27/12/857322712.db2.gz NXYYTVDLFMJYFL-BRWVUGGUSA-N 2 0 351.495 0.601 20 0 FCADRP [NH3+]CCCC[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001235569404 857429005 /nfs/dbraw/zinc/42/90/05/857429005.db2.gz JYCGSTRIPJGWOM-IKGGRYGDSA-N 2 0 366.487 0.178 20 0 FCADRP COc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1Br ZINC001235871988 857433670 /nfs/dbraw/zinc/43/36/70/857433670.db2.gz WUMAGYWPBXUSIE-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Cl)c1OC ZINC001235871429 857433703 /nfs/dbraw/zinc/43/37/03/857433703.db2.gz QYLSGPWEWMWLFV-UHFFFAOYSA-N 2 0 356.898 0.942 20 0 FCADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ncc1Br ZINC001235871280 857433822 /nfs/dbraw/zinc/43/38/22/857433822.db2.gz TYSRCWRZZCATNY-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024945 857435758 /nfs/dbraw/zinc/43/57/58/857435758.db2.gz SSVICVLLLFWKGU-QWCKYMPWSA-N 3 0 357.445 0.808 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c2ncc(Cl)cc12 ZINC001236309251 857437650 /nfs/dbraw/zinc/43/76/50/857437650.db2.gz KVVTUNXKARYUQE-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP Nc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Br)cn1 ZINC001236310759 857438720 /nfs/dbraw/zinc/43/87/20/857438720.db2.gz AFMICQXDIBKZFU-UHFFFAOYSA-N 2 0 373.299 0.042 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc2ncnc(Cl)c2c1 ZINC001236311260 857438786 /nfs/dbraw/zinc/43/87/86/857438786.db2.gz HTFUHNKTTVSNSV-UHFFFAOYSA-N 2 0 364.881 0.899 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c2nc(Cl)ccc12 ZINC001236310847 857438930 /nfs/dbraw/zinc/43/89/30/857438930.db2.gz MKEJPJAJGQOQDU-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2ccc(Cl)cn12 ZINC001236311994 857440005 /nfs/dbraw/zinc/44/00/05/857440005.db2.gz YSNMIWINTZMHJP-UHFFFAOYSA-N 2 0 352.870 0.604 20 0 FCADRP CC1(C)NC[C@@H](C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)O1 ZINC001236387280 857441183 /nfs/dbraw/zinc/44/11/83/857441183.db2.gz XHGDPOXDDICKOQ-SFHVURJKSA-N 2 0 354.539 0.735 20 0 FCADRP CN(C)S(=O)(=O)N1C[C@@H]2CCN(CC3(C[NH+](C)C)CCCC3)[C@@H]2C1 ZINC001279491781 862912930 /nfs/dbraw/zinc/91/29/30/862912930.db2.gz GIGJMEBCZIEWLB-JKSUJKDBSA-N 2 0 358.552 0.921 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC001237993137 857459848 /nfs/dbraw/zinc/45/98/48/857459848.db2.gz BRBKVLQGSKDPGJ-UHFFFAOYSA-N 2 0 353.488 0.999 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc2nonc21 ZINC001238239568 857465351 /nfs/dbraw/zinc/46/53/51/857465351.db2.gz DQSBRNAEAFECEQ-NSHDSACASA-N 2 0 351.432 0.375 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1cccnc1C1CC[NH2+]CC1 ZINC001238367243 857470673 /nfs/dbraw/zinc/47/06/73/857470673.db2.gz BQLGEBFHFUOLIA-UHFFFAOYSA-N 2 0 352.504 0.968 20 0 FCADRP [NH3+]CCS(=O)(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001238578241 857473240 /nfs/dbraw/zinc/47/32/40/857473240.db2.gz LYEMIWFYGQPMSJ-LSDHHAIUSA-N 2 0 355.460 0.324 20 0 FCADRP COc1ccccc1CC1(NS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001238858764 857484910 /nfs/dbraw/zinc/48/49/10/857484910.db2.gz KGCWJCFLMPMSDG-HNNXBMFYSA-N 2 0 353.488 0.641 20 0 FCADRP CS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001238878763 857485777 /nfs/dbraw/zinc/48/57/77/857485777.db2.gz CSSQAGOCXSOYRA-UHFFFAOYSA-N 2 0 363.505 0.087 20 0 FCADRP [NH3+]CCCC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001238918195 857489664 /nfs/dbraw/zinc/48/96/64/857489664.db2.gz SPKQNGVFOUNPEI-HNNXBMFYSA-N 2 0 360.524 0.025 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001239082511 857510673 /nfs/dbraw/zinc/51/06/73/857510673.db2.gz XGQTVXFMXGQDEC-IKGGRYGDSA-N 2 0 367.519 0.346 20 0 FCADRP CC[N@H+]([C@H]1CCOC1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239097982 857513825 /nfs/dbraw/zinc/51/38/25/857513825.db2.gz UORCGTNBDRSACH-KRWDZBQOSA-N 2 0 359.536 0.891 20 0 FCADRP COc1ccc(CN(C2CC[NH2+]CC2)S(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC001239145650 857523039 /nfs/dbraw/zinc/52/30/39/857523039.db2.gz HPODZZOMVCQKFO-QGZVFWFLSA-N 2 0 353.488 0.941 20 0 FCADRP COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC[NH2+]CCCC[NH3+] ZINC001239252545 857525163 /nfs/dbraw/zinc/52/51/63/857525163.db2.gz GBWNQUKYDOACBQ-INIZCTEOSA-N 2 0 350.463 0.789 20 0 FCADRP [NH3+]CCC[NH2+]CCCNC(=S)Nc1ccc(N2CCOCC2)nc1 ZINC001239396574 857527538 /nfs/dbraw/zinc/52/75/38/857527538.db2.gz JNJCNEPIPJFXII-UHFFFAOYSA-N 2 0 352.508 0.533 20 0 FCADRP OC1(C[NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH+](Cc2ccccc2)CC1 ZINC001245977643 857562102 /nfs/dbraw/zinc/56/21/02/857562102.db2.gz WYZRVEHVPAVPFM-PKOBYXMFSA-N 3 0 351.466 0.666 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001245984906 857562614 /nfs/dbraw/zinc/56/26/14/857562614.db2.gz KDWTYIOYOUPVKE-WUJZJPHMSA-N 2 0 353.507 0.935 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]1C2 ZINC001246044318 857566220 /nfs/dbraw/zinc/56/62/20/857566220.db2.gz GRMOGKALTYXFFD-FWIBFFJGSA-N 2 0 354.447 0.020 20 0 FCADRP C[NH+]1CCC(N(C[C@@H](O)CC2(O)CC[NH2+]CC2)C2CC[NH2+]CC2)CC1 ZINC001246061611 857567351 /nfs/dbraw/zinc/56/73/51/857567351.db2.gz ZAJKEFNXQCYTIY-SFHVURJKSA-N 3 0 354.539 0.000 20 0 FCADRP OC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H](O)c1ccc(Br)cc1 ZINC001246078350 857567880 /nfs/dbraw/zinc/56/78/80/857567880.db2.gz HRLULRJOWBGZTR-ILXRZTDVSA-N 2 0 370.291 0.527 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246188308 857569845 /nfs/dbraw/zinc/56/98/45/857569845.db2.gz FCWGKGKQTDEZIV-AVGNSLFASA-N 2 0 366.453 0.770 20 0 FCADRP O=C([C@@H]1C[C@@H](N[C@H]2CCCC[C@@]23C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246159851 857570331 /nfs/dbraw/zinc/57/03/31/857570331.db2.gz LETUKPCVQMSAJT-WBTNSWJXSA-N 2 0 354.520 0.141 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@H]1CCN[C@H](C(=O)OCC)C1)C1CC[NH2+]CC1 ZINC001246226712 857571238 /nfs/dbraw/zinc/57/12/38/857571238.db2.gz JCTTZVOHWXKENE-JYJNAYRXSA-N 2 0 355.479 0.581 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246216710 857571509 /nfs/dbraw/zinc/57/15/09/857571509.db2.gz NTDNELWQSYEXSJ-PIIMJCKOSA-N 3 0 359.511 0.274 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246344206 857573962 /nfs/dbraw/zinc/57/39/62/857573962.db2.gz YVYGRVDXEOSUOJ-BJDJZHNGSA-N 2 0 352.426 0.380 20 0 FCADRP OC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H](O)c1ccc(Br)cc1 ZINC001246487836 857581598 /nfs/dbraw/zinc/58/15/98/857581598.db2.gz HRLULRJOWBGZTR-RRFJBIMHSA-N 2 0 370.291 0.527 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CCN1 ZINC001246521409 857583594 /nfs/dbraw/zinc/58/35/94/857583594.db2.gz VGLZQQZYYBFUBQ-JYJNAYRXSA-N 2 0 354.495 0.380 20 0 FCADRP O=S(=O)(c1ccccc1)N(C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246530430 857584623 /nfs/dbraw/zinc/58/46/23/857584623.db2.gz YDVOLSACMPZTJA-INIZCTEOSA-N 2 0 364.515 0.523 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[NH2+][C@@H](Cc3ccccc3)C2)C[NH2+]1)N1CCSC1 ZINC001246603779 857585769 /nfs/dbraw/zinc/58/57/69/857585769.db2.gz RXIGURQRFCVUBX-BZSNNMDCSA-N 2 0 360.527 0.766 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700545 857592580 /nfs/dbraw/zinc/59/25/80/857592580.db2.gz GYBYYHGOGWDTHS-LVEJAMMSSA-N 2 0 351.491 0.998 20 0 FCADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246737376 857594780 /nfs/dbraw/zinc/59/47/80/857594780.db2.gz PPJKMINKHVPRNG-PBWFPOADSA-N 2 0 353.492 0.073 20 0 FCADRP CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750410 857596692 /nfs/dbraw/zinc/59/66/92/857596692.db2.gz XTFHNYHQLMTTDA-WBVHZDCISA-N 2 0 356.536 0.361 20 0 FCADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCNCC[NH2+]CCNCC1)CC2 ZINC001246823011 857601810 /nfs/dbraw/zinc/60/18/10/857601810.db2.gz UELIMFNIQKDKEZ-TVRKMHQQSA-N 2 0 352.523 0.583 20 0 FCADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855867 857603536 /nfs/dbraw/zinc/60/35/36/857603536.db2.gz QXGAUBZEFMKGDC-ATNYBXOESA-N 2 0 354.447 0.572 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2c2cccs2)C[NH2+]1)N1CCSC1 ZINC001246883249 857605530 /nfs/dbraw/zinc/60/55/30/857605530.db2.gz DIGWHWMQYJFQCE-MELADBBJSA-N 2 0 352.529 0.958 20 0 FCADRP [NH3+][C@@H]1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1C(F)(F)F ZINC001246936511 857606202 /nfs/dbraw/zinc/60/62/02/857606202.db2.gz LFXAWBDRFFODMF-KKOKHZNYSA-N 2 0 352.426 0.461 20 0 FCADRP C(C[N@H+](CC1CC[NH2+]CC1)[C@H]1CSC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246932282 857606482 /nfs/dbraw/zinc/60/64/82/857606482.db2.gz CJQZARNGMMLYDG-QGZVFWFLSA-N 3 0 354.564 0.468 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CCN1 ZINC001247004602 857609002 /nfs/dbraw/zinc/60/90/02/857609002.db2.gz DWAQCMXNBRETQN-ILXRZTDVSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CN[C@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007261 857609073 /nfs/dbraw/zinc/60/90/73/857609073.db2.gz KBJZTCVMWSVUGH-DEYYWGMASA-N 2 0 353.463 0.145 20 0 FCADRP CC(C)CN1CCN(C)C2(CCN(C(=S)NCC[NH+](C)C)CC2)C1=O ZINC001249832140 857649319 /nfs/dbraw/zinc/64/93/19/857649319.db2.gz BBDIWZZWHHPTSV-UHFFFAOYSA-N 2 0 369.579 0.687 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001249832339 857649771 /nfs/dbraw/zinc/64/97/71/857649771.db2.gz CTIYKPOWIZCQAH-KBPBESRZSA-N 2 0 350.492 0.050 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001249833741 857650472 /nfs/dbraw/zinc/65/04/72/857650472.db2.gz XJHMRZNFDKHVRK-DLBZAZTESA-N 2 0 363.531 0.793 20 0 FCADRP COC(=O)[C@]1(NC(=S)NCC[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001249845709 857653304 /nfs/dbraw/zinc/65/33/04/857653304.db2.gz HIVILDJLSIDCOA-SFHVURJKSA-N 2 0 364.515 0.830 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001251779941 857751169 /nfs/dbraw/zinc/75/11/69/857751169.db2.gz WSUGALVENISFNX-BZUAXINKSA-N 2 0 353.511 0.746 20 0 FCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252023148 857776018 /nfs/dbraw/zinc/77/60/18/857776018.db2.gz FWELOXJVKKGEMC-GUDVDZBRSA-N 2 0 355.523 0.645 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253142199 857863576 /nfs/dbraw/zinc/86/35/76/857863576.db2.gz HJVWNVSELNQMLI-SFHVURJKSA-N 2 0 353.507 0.386 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3[C@H]2CCS(=O)(=O)C2)CC1 ZINC001254332422 857960157 /nfs/dbraw/zinc/96/01/57/857960157.db2.gz KARGBYDVDIUOPI-GVDBMIGSSA-N 2 0 369.531 0.581 20 0 FCADRP CCOC(=O)CN1CCC([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001254407706 857969838 /nfs/dbraw/zinc/96/98/38/857969838.db2.gz NCUSTHWQQKTXKC-ZWKOTPCHSA-N 2 0 352.523 0.724 20 0 FCADRP C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001254515667 857976473 /nfs/dbraw/zinc/97/64/73/857976473.db2.gz ANQUKALJBNDPKW-OAHLLOKOSA-N 2 0 352.504 0.859 20 0 FCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CCC[N@H+](C)CC2)S(C)(=O)=O)cn1 ZINC001254519667 857977205 /nfs/dbraw/zinc/97/72/05/857977205.db2.gz UPPWKQASPIKBHC-YESZJQIVSA-N 2 0 369.535 0.439 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685764 857980925 /nfs/dbraw/zinc/98/09/25/857980925.db2.gz IXHAIVCPIJNZAG-NEPJUHHUSA-N 2 0 359.492 0.819 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254930392 857991626 /nfs/dbraw/zinc/99/16/26/857991626.db2.gz ANAXIRGTNPJUPB-HOTGVXAUSA-N 2 0 358.479 0.359 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC001255485470 858015267 /nfs/dbraw/zinc/01/52/67/858015267.db2.gz PMKCLJNGBSLQHO-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256344749 858071479 /nfs/dbraw/zinc/07/14/79/858071479.db2.gz PGPPJUUEHLULOV-GOSISDBHSA-N 2 0 354.539 0.973 20 0 FCADRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616986 862982140 /nfs/dbraw/zinc/98/21/40/862982140.db2.gz UDESJTXJFQANON-AYHJJNSGSA-N 2 0 372.579 0.805 20 0 FCADRP CC(C)C[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)NCC(N)=O ZINC001256688408 858095406 /nfs/dbraw/zinc/09/54/06/858095406.db2.gz YFKVKPDLEDIQLO-GPANFISMSA-N 2 0 354.495 0.236 20 0 FCADRP CC(C)NC(=O)CN1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256695343 858096624 /nfs/dbraw/zinc/09/66/24/858096624.db2.gz WWKUXJGRQCFRHL-UHFFFAOYSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257229733 858127986 /nfs/dbraw/zinc/12/79/86/858127986.db2.gz QLAPXUDISCWXPY-ZDUSSCGKSA-N 2 0 364.512 0.590 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC001257354978 858141451 /nfs/dbraw/zinc/14/14/51/858141451.db2.gz YKNUPOUPCVFBJA-UHFFFAOYSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001258150016 858180106 /nfs/dbraw/zinc/18/01/06/858180106.db2.gz WPVFWCGLZHPSLW-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[NH+]1CCC([N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001258775052 858210557 /nfs/dbraw/zinc/21/05/57/858210557.db2.gz YDLBMCZCSNAIET-CVEARBPZSA-N 2 0 358.552 0.921 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001262063647 858769457 /nfs/dbraw/zinc/76/94/57/858769457.db2.gz FKBRLENRSRDOLK-HOCLYGCPSA-N 2 0 354.495 0.378 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC001262214632 858821731 /nfs/dbraw/zinc/82/17/31/858821731.db2.gz WUEZHLOQUIVTLJ-HNNXBMFYSA-N 2 0 351.499 0.704 20 0 FCADRP CSC1(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764508 859207174 /nfs/dbraw/zinc/20/71/74/859207174.db2.gz LFVNSJYQBUFIGB-LSDHHAIUSA-N 2 0 357.568 0.747 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264655471 859416528 /nfs/dbraw/zinc/41/65/28/859416528.db2.gz BHBWJLKJTUUUIY-IKGGRYGDSA-N 2 0 350.507 0.633 20 0 FCADRP Cc1csc(=O)n1CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268237087 859526560 /nfs/dbraw/zinc/52/65/60/859526560.db2.gz KKHKLMMCQFFUGI-HUUCEWRRSA-N 2 0 354.520 0.949 20 0 FCADRP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CO)n3ccnc3)[C@@H]2C1 ZINC001272468334 860161187 /nfs/dbraw/zinc/16/11/87/860161187.db2.gz YAXFXQIKKQCHSP-RRFJBIMHSA-N 2 0 361.471 0.914 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)C2(C)CC[NH+](C)CC2)C1=O ZINC001272820882 860272848 /nfs/dbraw/zinc/27/28/48/860272848.db2.gz NCYSJUOBCJEWIU-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831551 860274857 /nfs/dbraw/zinc/27/48/57/860274857.db2.gz NRLRYXSRMAOJIZ-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001273192993 860406338 /nfs/dbraw/zinc/40/63/38/860406338.db2.gz VPZRKYQYYIFOIS-FCEWJHQRSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001273512703 860515592 /nfs/dbraw/zinc/51/55/92/860515592.db2.gz WWTFWMXONICLGD-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP C[N@@H+]1CCC[C@H](CC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274195771 860706020 /nfs/dbraw/zinc/70/60/20/860706020.db2.gz VFYNOPLCKQAHMQ-OAHLLOKOSA-N 2 0 350.507 0.907 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274195770 860706168 /nfs/dbraw/zinc/70/61/68/860706168.db2.gz VFYNOPLCKQAHMQ-HNNXBMFYSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001274408646 860745147 /nfs/dbraw/zinc/74/51/47/860745147.db2.gz OYRUGPOSENAWJO-MSOLQXFVSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C[C@H](C1)O2 ZINC001274924902 860872667 /nfs/dbraw/zinc/87/26/67/860872667.db2.gz SLBGWGNHZJHLGL-KSZLIROESA-N 2 0 350.507 0.334 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515310 861118801 /nfs/dbraw/zinc/11/88/01/861118801.db2.gz KATLWIGJCUZEHP-LJQANCHMSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001275668033 861150937 /nfs/dbraw/zinc/15/09/37/861150937.db2.gz CHWIMJWTRNQAHG-CHWSQXEVSA-N 2 0 352.483 0.023 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736503 861180313 /nfs/dbraw/zinc/18/03/13/861180313.db2.gz FEXSHJZHDYGPOO-LJQANCHMSA-N 2 0 350.507 0.827 20 0 FCADRP COC(C)(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738028 861182070 /nfs/dbraw/zinc/18/20/70/861182070.db2.gz RTYNWEILFOKMBA-IBGZPJMESA-N 2 0 353.507 0.962 20 0 FCADRP NC(=O)CCCCCN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738282 861182215 /nfs/dbraw/zinc/18/22/15/861182215.db2.gz XTZOIFMRVPTBGA-IBGZPJMESA-N 2 0 350.507 0.956 20 0 FCADRP CS(=O)(=O)CCNC(=O)C12CC([NH2+]CCC[NH+]3CCCCC3)(C1)C2 ZINC001279844750 863097387 /nfs/dbraw/zinc/09/73/87/863097387.db2.gz SJUFAUTXHXLVTR-UHFFFAOYSA-N 2 0 357.520 0.536 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001279976190 863163019 /nfs/dbraw/zinc/16/30/19/863163019.db2.gz ZKGKKMYLNVBJDY-UHFFFAOYSA-N 2 0 355.552 0.299 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279995277 863171720 /nfs/dbraw/zinc/17/17/20/863171720.db2.gz VJQORNYDYARRNA-SJORKVTESA-N 2 0 371.595 0.539 20 0 FCADRP CC(C)OCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280082011 863251868 /nfs/dbraw/zinc/25/18/68/863251868.db2.gz CMLPODQVJQSHLO-IRXDYDNUSA-N 2 0 352.523 0.485 20 0 FCADRP CN(C(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12)C1CC(F)(F)C1 ZINC001280134718 863285747 /nfs/dbraw/zinc/28/57/47/863285747.db2.gz GEKQHZPCICVSAZ-UONOGXRCSA-N 2 0 356.417 0.929 20 0 FCADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]23)CC1 ZINC001280136853 863287184 /nfs/dbraw/zinc/28/71/84/863287184.db2.gz RYPKOJZQAMCVPV-VNQPRFMTSA-N 2 0 350.463 0.310 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280138446 863288485 /nfs/dbraw/zinc/28/84/85/863288485.db2.gz YUZSDGQVJJFLEH-WMZOPIPTSA-N 2 0 371.547 0.639 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](C[C@@H]2CCCO2)C3)CC1 ZINC001280191049 863319826 /nfs/dbraw/zinc/31/98/26/863319826.db2.gz CELQMWOOTKQOPJ-DLBZAZTESA-N 2 0 351.491 0.714 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1n[nH]c2c1CCN(CC[NH+](C)C)C2 ZINC001280221748 863345119 /nfs/dbraw/zinc/34/51/19/863345119.db2.gz UDDYNCXBNKRHOC-UHFFFAOYSA-N 2 0 350.511 0.743 20 0 FCADRP CC[NH+]1CCC(C[NH2+]C23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)CC1 ZINC001280254827 863362944 /nfs/dbraw/zinc/36/29/44/863362944.db2.gz ATGMDDHEOJFIEU-UHFFFAOYSA-N 2 0 357.520 0.391 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001280391421 863421219 /nfs/dbraw/zinc/42/12/19/863421219.db2.gz QNJANZVWYQHELE-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001281848911 863820505 /nfs/dbraw/zinc/82/05/05/863820505.db2.gz YAFCZVKBSHIYJY-INMHGKMJSA-N 2 0 356.511 0.256 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[NH+](C)C2CCC2)C2CC2)CC[N@@H+]1C ZINC001284737928 864594730 /nfs/dbraw/zinc/59/47/30/864594730.db2.gz ZGNCNFVVFUAKAV-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001288988689 864838761 /nfs/dbraw/zinc/83/87/61/864838761.db2.gz JUIRJSGDUVDDCY-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001288988447 864839547 /nfs/dbraw/zinc/83/95/47/864839547.db2.gz DHICGDNCCJHWNY-HRCADAONSA-N 2 0 350.507 0.728 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001289816102 865288464 /nfs/dbraw/zinc/28/84/64/865288464.db2.gz KXMPIVNCOHLXBZ-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001289833653 865292985 /nfs/dbraw/zinc/29/29/85/865292985.db2.gz VHACVRWFUDTBHK-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001293091610 865775709 /nfs/dbraw/zinc/77/57/09/865775709.db2.gz GAPDCJZDNKCRTQ-GOSISDBHSA-N 2 0 350.511 0.828 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[C@H]1CC[NH2+]C1 ZINC001349990968 866486398 /nfs/dbraw/zinc/48/63/98/866486398.db2.gz BFFJXWGKHBAYMP-GJZGRUSLSA-N 2 0 350.463 0.989 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[C@@H]1CC[NH2+]C1 ZINC001349990964 866486766 /nfs/dbraw/zinc/48/67/66/866486766.db2.gz BFFJXWGKHBAYMP-CABCVRRESA-N 2 0 350.463 0.989 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC001351364966 866841111 /nfs/dbraw/zinc/84/11/11/866841111.db2.gz VWKSXJKYZWDMAT-CABCVRRESA-N 2 0 350.467 0.508 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCN1CCC2(C1)OCCO2 ZINC001351410325 866851670 /nfs/dbraw/zinc/85/16/70/866851670.db2.gz SXSCCDWDCDFXAW-MRXNPFEDSA-N 2 0 354.495 0.855 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC001353150572 867361660 /nfs/dbraw/zinc/36/16/60/867361660.db2.gz UGLVLGFWGANHHF-LSDHHAIUSA-N 2 0 360.449 0.144 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001353188277 867371735 /nfs/dbraw/zinc/37/17/35/867371735.db2.gz NCMFUZULXRWLTL-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC001353245179 867381139 /nfs/dbraw/zinc/38/11/39/867381139.db2.gz JLMYGDNMJKACEE-JYJNAYRXSA-N 2 0 354.495 0.237 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)CSCC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001319950023 868043225 /nfs/dbraw/zinc/04/32/25/868043225.db2.gz FEUVQLYSAXXAPF-HZPDHXFCSA-N 2 0 370.563 0.540 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CCCC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001319963433 868047044 /nfs/dbraw/zinc/04/70/44/868047044.db2.gz JFQGNPNVAHUJQW-CALCHBBNSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)C[C@H](NC[C@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001357209249 868087334 /nfs/dbraw/zinc/08/73/34/868087334.db2.gz FWNGDRRUMJVNPK-BZSNNMDCSA-N 2 0 354.539 0.610 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC001357365669 868105086 /nfs/dbraw/zinc/10/50/86/868105086.db2.gz CNYGYBGQPDATRN-HUUCEWRRSA-N 2 0 352.479 0.891 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC001320379119 868152059 /nfs/dbraw/zinc/15/20/59/868152059.db2.gz PJZKAOVGYJPEJK-UHFFFAOYSA-N 2 0 356.492 0.853 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001322860333 868972763 /nfs/dbraw/zinc/97/27/63/868972763.db2.gz CMGYDEDUOLNTSK-SFHVURJKSA-N 2 0 351.539 0.299 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)CC[NH2+]CC2 ZINC001326142799 870183397 /nfs/dbraw/zinc/18/33/97/870183397.db2.gz QGVWUALWOVJEOL-RDTXWAMCSA-N 2 0 368.547 0.531 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001326882514 870550614 /nfs/dbraw/zinc/55/06/14/870550614.db2.gz DVUSIVCPJVTEBP-BXWFABGCSA-N 2 0 350.507 0.764 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC001327585416 870958322 /nfs/dbraw/zinc/95/83/22/870958322.db2.gz WENXGEBPBNWDNQ-DOTOQJQBSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001345166663 871212132 /nfs/dbraw/zinc/21/21/32/871212132.db2.gz JXTYNRFVIVZFSZ-HZPDHXFCSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001345166654 871212333 /nfs/dbraw/zinc/21/23/33/871212333.db2.gz JXTYNRFVIVZFSZ-CVEARBPZSA-N 2 0 354.495 0.332 20 0 FCADRP CC(C)([NH3+])c1noc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001328490201 871459515 /nfs/dbraw/zinc/45/95/15/871459515.db2.gz LBNDEFMWLGOFMP-CHWSQXEVSA-N 2 0 350.467 0.344 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346265017 871737294 /nfs/dbraw/zinc/73/72/94/871737294.db2.gz RTZNBFVSMILSBK-JKSUJKDBSA-N 2 0 353.511 0.761 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC001346521496 871881462 /nfs/dbraw/zinc/88/14/62/871881462.db2.gz YAGMPDRWSQJGPW-NVXWUHKLSA-N 2 0 353.511 0.175 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC001346570178 871911417 /nfs/dbraw/zinc/91/14/17/871911417.db2.gz PMVMTCWQLWGKOX-SJORKVTESA-N 2 0 353.511 0.337 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606331 871927866 /nfs/dbraw/zinc/92/78/66/871927866.db2.gz KKTFQOMPHSDIPW-PMPSAXMXSA-N 2 0 355.527 0.107 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC001329434152 872024560 /nfs/dbraw/zinc/02/45/60/872024560.db2.gz PQAMFVKQXOJARH-SCZZXKLOSA-N 2 0 362.356 0.310 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC001347058193 872138319 /nfs/dbraw/zinc/13/83/19/872138319.db2.gz IGMQITAXARDOOF-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001347187300 872210373 /nfs/dbraw/zinc/21/03/73/872210373.db2.gz QESATBOAJOUEEY-RDJZCZTQSA-N 2 0 353.511 0.127 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001347335761 872281191 /nfs/dbraw/zinc/28/11/91/872281191.db2.gz NEYDPTNFQAKZGD-WBVHZDCISA-N 2 0 355.527 0.421 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001330589947 872721303 /nfs/dbraw/zinc/72/13/03/872721303.db2.gz ZIHNURHTWUQLOX-KOLCDFICSA-N 2 0 358.393 0.328 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)CC[C@H]21 ZINC001330619678 872737191 /nfs/dbraw/zinc/73/71/91/872737191.db2.gz RWNNINSFGPWVTA-GRYCIOLGSA-N 2 0 354.405 0.916 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001348603518 872737845 /nfs/dbraw/zinc/73/78/45/872737845.db2.gz DGZSDYYKNMFJDI-AWEZNQCLSA-N 2 0 352.454 0.830 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001348603520 872739510 /nfs/dbraw/zinc/73/95/10/872739510.db2.gz DGZSDYYKNMFJDI-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330776822 872809167 /nfs/dbraw/zinc/80/91/67/872809167.db2.gz AXHUMXLISSOANU-CZUORRHYSA-N 2 0 350.467 0.100 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001330879873 872858414 /nfs/dbraw/zinc/85/84/14/872858414.db2.gz NFHMPLDQWXXGOE-HNNXBMFYSA-N 2 0 373.544 0.838 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)CC1 ZINC001331136411 872977344 /nfs/dbraw/zinc/97/73/44/872977344.db2.gz XCKJMCWBZIPOPO-CTYIDZIISA-N 2 0 364.515 0.856 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331906816 873299225 /nfs/dbraw/zinc/29/92/25/873299225.db2.gz XNSPICAMOQUKER-SJORKVTESA-N 2 0 353.511 0.163 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001331915049 873302237 /nfs/dbraw/zinc/30/22/37/873302237.db2.gz LZTBRHJLDUADOI-SQWLQELKSA-N 2 0 360.524 0.133 20 0 FCADRP CCN(C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC001332234355 873418051 /nfs/dbraw/zinc/41/80/51/873418051.db2.gz WPRCVIWCJJCCEH-INMHGKMJSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(Cl)cc1 ZINC001332271794 873429682 /nfs/dbraw/zinc/42/96/82/873429682.db2.gz YTHDVHQTAIAZBT-SOUVJXGZSA-N 2 0 350.850 0.632 20 0 FCADRP OCC1(CO)CC[NH+](CCCCC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001333488173 873980533 /nfs/dbraw/zinc/98/05/33/873980533.db2.gz XQXBWPAHWQQQJP-UHFFFAOYSA-N 2 0 358.523 0.290 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1C[NH2+]CC3(CCOCC3)C1)C2 ZINC001336947235 874035895 /nfs/dbraw/zinc/03/58/95/874035895.db2.gz NRKMFNDVEKXRAA-LBPRGKRZSA-N 2 0 365.503 0.828 20 0 FCADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925479 948974671 /nfs/dbraw/zinc/97/46/71/948974671.db2.gz ALFMCEJGCPLKOE-GFCCVEGCSA-N 2 0 360.466 0.578 20 0 FCADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574692764 949038814 /nfs/dbraw/zinc/03/88/14/949038814.db2.gz BWGIETUTRUWFMY-ZDUSSCGKSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574704055 949366561 /nfs/dbraw/zinc/36/65/61/949366561.db2.gz JZZREAFJEKYYBE-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263581 949403713 /nfs/dbraw/zinc/40/37/13/949403713.db2.gz IEZSVGHHRLOWNO-CXAGYDPISA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270289 949581622 /nfs/dbraw/zinc/58/16/22/949581622.db2.gz CCYUKSDTLLZVNK-ZDUSSCGKSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575285314 949940933 /nfs/dbraw/zinc/94/09/33/949940933.db2.gz MTWYKRJEUPZZOV-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908120 950350582 /nfs/dbraw/zinc/35/05/82/950350582.db2.gz AKSGOHCKYDNFLR-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908119 950351829 /nfs/dbraw/zinc/35/18/29/950351829.db2.gz AKSGOHCKYDNFLR-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909609 950406172 /nfs/dbraw/zinc/40/61/72/950406172.db2.gz ZOKPAGBOKUCAGR-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570993350 950942633 /nfs/dbraw/zinc/94/26/33/950942633.db2.gz FQUWQEDIBWUZKH-DOMZBBRYSA-N 2 0 358.450 0.283 20 0 FCADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082212 951731310 /nfs/dbraw/zinc/73/13/10/951731310.db2.gz VUSQCWGPSVFNMX-LBPRGKRZSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[NH+](C)C ZINC001575082223 951731948 /nfs/dbraw/zinc/73/19/48/951731948.db2.gz VXXILBFWBFMGBU-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[NH+](C)C ZINC001575098075 951819987 /nfs/dbraw/zinc/81/99/87/951819987.db2.gz ADQXTOBCGKYXQF-NSHDSACASA-N 2 0 351.480 0.816 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099816 951839995 /nfs/dbraw/zinc/83/99/95/951839995.db2.gz OXBMAAIJWJXPQV-YPMHNXCESA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575100150 951842317 /nfs/dbraw/zinc/84/23/17/951842317.db2.gz RCEKUSSIFOVIME-NEPJUHHUSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575109561 951931863 /nfs/dbraw/zinc/93/18/63/951931863.db2.gz SMSKOZRZGKHHIU-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113891 951949201 /nfs/dbraw/zinc/94/92/01/951949201.db2.gz HRVRBMVUKDFHKD-CZUORRHYSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001571064056 951969939 /nfs/dbraw/zinc/96/99/39/951969939.db2.gz QQKRLVGTAKNFFB-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077693 952120767 /nfs/dbraw/zinc/12/07/67/952120767.db2.gz FNIVWPMAASULIZ-BLLLJJGKSA-N 2 0 370.461 0.347 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001575145175 952180321 /nfs/dbraw/zinc/18/03/21/952180321.db2.gz RUQCNCWFEZZKPK-CYBMUJFWSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575145260 952181371 /nfs/dbraw/zinc/18/13/71/952181371.db2.gz UNIFSOBLCJGERS-LBPRGKRZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575146599 952195254 /nfs/dbraw/zinc/19/52/54/952195254.db2.gz LYTGVQFNLDOSEA-MJBXVCDLSA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@@H](C(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571102790 952351664 /nfs/dbraw/zinc/35/16/64/952351664.db2.gz GVACZCQGMKDYGP-INIZCTEOSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571103654 952356558 /nfs/dbraw/zinc/35/65/58/952356558.db2.gz NJTZMSXQZKSSOH-HFBAOOFYSA-N 2 0 372.477 0.591 20 0 FCADRP C[C@@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)C[NH+](C)C)c1)C[NH+](C)C ZINC000293629361 214189091 /nfs/dbraw/zinc/18/90/91/214189091.db2.gz CQFAKIJYPQFICG-GJZGRUSLSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)C[NH+](C)C)ccn1)C[NH+](C)C ZINC000293661351 214191282 /nfs/dbraw/zinc/19/12/82/214191282.db2.gz FTIWNVIHLBOLHN-LSDHHAIUSA-N 2 0 363.506 0.937 20 0 FCADRP CN(C)C(=O)CN(C)Cc1ccc(F)c(CN(C)CC(=O)N(C)C)c1 ZINC000296597709 214355596 /nfs/dbraw/zinc/35/55/96/214355596.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 0 352.454 0.866 20 0 FCADRP CCc1nnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000297207181 214386904 /nfs/dbraw/zinc/38/69/04/214386904.db2.gz LXELGQAOCDDYHI-UHFFFAOYSA-N 2 0 372.477 0.774 20 0 FCADRP COC[C@@H](CCO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265773464 210217811 /nfs/dbraw/zinc/21/78/11/210217811.db2.gz FVLDURQTACGCAB-MRXNPFEDSA-N 2 0 365.478 0.290 20 0 FCADRP COC[C@H](CCO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265773461 210217706 /nfs/dbraw/zinc/21/77/06/210217706.db2.gz FVLDURQTACGCAB-INIZCTEOSA-N 2 0 365.478 0.290 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC[C@@H]21 ZINC000410780696 529799124 /nfs/dbraw/zinc/79/91/24/529799124.db2.gz UYORHUIBYWGXRB-VSZNYVQBSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC[C@H]21 ZINC000410780697 529799534 /nfs/dbraw/zinc/79/95/34/529799534.db2.gz UYORHUIBYWGXRB-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923270 529810453 /nfs/dbraw/zinc/81/04/53/529810453.db2.gz BKCCZNFGPVMMOX-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779167 529886271 /nfs/dbraw/zinc/88/62/71/529886271.db2.gz HLIIRJUTHUIDPM-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410441415 529907728 /nfs/dbraw/zinc/90/77/28/529907728.db2.gz YMUYEDVEWGSWMT-KRWDZBQOSA-N 2 0 350.507 0.731 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482550 215003943 /nfs/dbraw/zinc/00/39/43/215003943.db2.gz BAJVAFQRKZRTRJ-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562849 215015605 /nfs/dbraw/zinc/01/56/05/215015605.db2.gz SKKUKRAWWWLETD-IIDMSEBBSA-N 2 0 368.547 0.483 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562848 215016137 /nfs/dbraw/zinc/01/61/37/215016137.db2.gz SKKUKRAWWWLETD-HDMKZQKVSA-N 2 0 368.547 0.483 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[NH+](C)C1 ZINC000331700986 215036167 /nfs/dbraw/zinc/03/61/67/215036167.db2.gz XYKDXMDKUBEMFZ-QAETUUGQSA-N 2 0 366.506 0.107 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000331697267 215036453 /nfs/dbraw/zinc/03/64/53/215036453.db2.gz WXFZZZLGLCRJFS-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000331718161 215038549 /nfs/dbraw/zinc/03/85/49/215038549.db2.gz PVIAZOSRRJPHOB-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H](C)C1 ZINC000331727519 215040000 /nfs/dbraw/zinc/04/00/00/215040000.db2.gz YMMDXBGQXBPMJH-WCXIOVBPSA-N 2 0 350.507 0.918 20 0 FCADRP CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265127543 210061267 /nfs/dbraw/zinc/06/12/67/210061267.db2.gz XOJJHAMKDIICSE-UHFFFAOYSA-N 2 0 372.429 0.433 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331945272 215070085 /nfs/dbraw/zinc/07/00/85/215070085.db2.gz HBZFBAWUOVAGDS-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000332028198 215081727 /nfs/dbraw/zinc/08/17/27/215081727.db2.gz XYPQNPFIEACXLU-UXLLHSPISA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC[C@@H]21 ZINC000332059761 215084987 /nfs/dbraw/zinc/08/49/87/215084987.db2.gz XGBSKAMWKMQWRX-IKGGRYGDSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000332096856 215091724 /nfs/dbraw/zinc/09/17/24/215091724.db2.gz AWPVXRYRMAYSAS-CGZBRXJRSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000332225080 215112349 /nfs/dbraw/zinc/11/23/49/215112349.db2.gz YXGDELLPXYMOHK-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000332325363 215130839 /nfs/dbraw/zinc/13/08/39/215130839.db2.gz XEIRNPHXKAJBAF-MPTYRVRUSA-N 2 0 366.506 0.140 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000332325356 215131042 /nfs/dbraw/zinc/13/10/42/215131042.db2.gz XEIRNPHXKAJBAF-LJIGWXMPSA-N 2 0 366.506 0.140 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332330949 215131164 /nfs/dbraw/zinc/13/11/64/215131164.db2.gz QFNPFDYPQCGJMI-UAGQMJEPSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334827 215132998 /nfs/dbraw/zinc/13/29/98/215132998.db2.gz VNXJZVYKCULIQX-SPUZQDLCSA-N 2 0 358.486 0.738 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332462427 215156785 /nfs/dbraw/zinc/15/67/85/215156785.db2.gz JPDGJKKMVWGJBF-OWCLPIDISA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332460396 215155067 /nfs/dbraw/zinc/15/50/67/215155067.db2.gz HPKOKXUHIJDLEJ-ZGRYLRDCSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332460395 215155342 /nfs/dbraw/zinc/15/53/42/215155342.db2.gz HPKOKXUHIJDLEJ-VXLLPVPCSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000332544609 215175935 /nfs/dbraw/zinc/17/59/35/215175935.db2.gz MAAJURQNJZIGDH-MRXNPFEDSA-N 2 0 365.522 0.844 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332592755 215186727 /nfs/dbraw/zinc/18/67/27/215186727.db2.gz MIXMSDYVRRBAQT-DOTOQJQBSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@@H]21 ZINC000333258751 215256358 /nfs/dbraw/zinc/25/63/58/215256358.db2.gz DOSBWVNNXMWMDM-ZBFHGGJFSA-N 2 0 359.478 0.834 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333298174 215260489 /nfs/dbraw/zinc/26/04/89/215260489.db2.gz IOIPAQBYRVRFNG-ULQDDVLXSA-N 2 0 354.495 0.635 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333486567 215288015 /nfs/dbraw/zinc/28/80/15/215288015.db2.gz CSXPPMHKRSFDRQ-CQSZACIVSA-N 2 0 365.444 0.948 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333594566 215299232 /nfs/dbraw/zinc/29/92/32/215299232.db2.gz VQGIWXFKFAHIHB-SOLBZPMBSA-N 2 0 368.522 0.896 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C2CC3CC(C2)CC1C3 ZINC000333611999 215301882 /nfs/dbraw/zinc/30/18/82/215301882.db2.gz YCMDHTKGVOZBSI-RJFAQORQSA-N 2 0 361.534 0.829 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333641278 215302922 /nfs/dbraw/zinc/30/29/22/215302922.db2.gz IHQFHZVXXRNXDA-UONOGXRCSA-N 2 0 363.428 0.702 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1 ZINC000333637556 215302970 /nfs/dbraw/zinc/30/29/70/215302970.db2.gz WTEKLMDDDZPWDT-TUKIKUTGSA-N 2 0 367.396 0.986 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C1 ZINC000333707848 215310212 /nfs/dbraw/zinc/31/02/12/215310212.db2.gz RVAWEJPVZLBWOX-DAWZGUTISA-N 2 0 367.538 0.693 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000333676009 215307621 /nfs/dbraw/zinc/30/76/21/215307621.db2.gz NYEPDMCTIVRBEK-MELADBBJSA-N 2 0 365.444 0.947 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000333733814 215313194 /nfs/dbraw/zinc/31/31/94/215313194.db2.gz WOTWDDCFNPRIFX-XQQFMLRXSA-N 2 0 351.417 0.557 20 0 FCADRP C[C@H]1NC(=O)N(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803948 215319484 /nfs/dbraw/zinc/31/94/84/215319484.db2.gz DXASZPAVTMZASM-QLFBSQMISA-N 2 0 352.479 0.748 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811425 215321307 /nfs/dbraw/zinc/32/13/07/215321307.db2.gz JJJNBSRZUBXWRE-KZNAEPCWSA-N 2 0 367.538 0.421 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851103 215324487 /nfs/dbraw/zinc/32/44/87/215324487.db2.gz QAXZMHOTJSJXHK-SCNOPHJPSA-N 2 0 363.506 0.511 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C[C@@H]21 ZINC000333825713 215322934 /nfs/dbraw/zinc/32/29/34/215322934.db2.gz KPEZYLLLQBQHQY-SJORKVTESA-N 2 0 358.490 0.679 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000333835013 215323024 /nfs/dbraw/zinc/32/30/24/215323024.db2.gz NEXIEKJQXLNRFP-INIZCTEOSA-N 2 0 353.511 0.304 20 0 FCADRP C[C@H](NC(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863983 215326224 /nfs/dbraw/zinc/32/62/24/215326224.db2.gz QNPJXWGYWXLWPB-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333885991 215328442 /nfs/dbraw/zinc/32/84/42/215328442.db2.gz VWYPWVYNWNWCBS-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000333909627 215329646 /nfs/dbraw/zinc/32/96/46/215329646.db2.gz KWOCUNGEUCASIS-SJORKVTESA-N 2 0 358.490 0.869 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333952106 215332971 /nfs/dbraw/zinc/33/29/71/215332971.db2.gz ZQXLNQQBFASRFE-MCIONIFRSA-N 2 0 363.428 0.749 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000334126509 215348079 /nfs/dbraw/zinc/34/80/79/215348079.db2.gz PTRNEWDSDDKGFO-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285558977 213357906 /nfs/dbraw/zinc/35/79/06/213357906.db2.gz RMAKOJJCSCQOLN-YIONKMFJSA-N 2 0 366.487 0.830 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000361106788 215381310 /nfs/dbraw/zinc/38/13/10/215381310.db2.gz OWGUWBATHZBYGU-KURKYZTESA-N 2 0 351.539 0.996 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000262665379 209637118 /nfs/dbraw/zinc/63/71/18/209637118.db2.gz JFACOSCLUNLTMD-MRXNPFEDSA-N 2 0 364.494 0.776 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000284441635 213140567 /nfs/dbraw/zinc/14/05/67/213140567.db2.gz LQVZNAUBHBHKLX-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000284014116 213054979 /nfs/dbraw/zinc/05/49/79/213054979.db2.gz IKRGRVCIDUUIPC-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000283965911 213044053 /nfs/dbraw/zinc/04/40/53/213044053.db2.gz IEQGDPKQESRUOD-OAHLLOKOSA-N 2 0 370.519 0.552 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283910819 213034031 /nfs/dbraw/zinc/03/40/31/213034031.db2.gz HYJNLHPAPZEGHI-QGZVFWFLSA-N 2 0 364.490 0.490 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000283842158 213017217 /nfs/dbraw/zinc/01/72/17/213017217.db2.gz BFNCXQMSEAPQGX-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CNC(=O)C1 ZINC000413195748 237294844 /nfs/dbraw/zinc/29/48/44/237294844.db2.gz DCCSCBRNPIWFPY-OAHLLOKOSA-N 2 0 360.462 0.029 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886448 237393949 /nfs/dbraw/zinc/39/39/49/237393949.db2.gz URTDQBWMQUCKHJ-IRXDYDNUSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)ccc2oc1=O ZINC000367051884 216068269 /nfs/dbraw/zinc/06/82/69/216068269.db2.gz FPBWGCNFEZANKO-MRXNPFEDSA-N 2 0 373.457 0.485 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(CCOc2ccccc2)CC1 ZINC000367148877 216083029 /nfs/dbraw/zinc/08/30/29/216083029.db2.gz NXRCILCDKYUNMD-IBGZPJMESA-N 2 0 358.486 0.600 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230911 216094921 /nfs/dbraw/zinc/09/49/21/216094921.db2.gz LFEPFYDXPKGENH-WFASDCNBSA-N 2 0 365.396 0.966 20 0 FCADRP C[C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000261864195 209490494 /nfs/dbraw/zinc/49/04/94/209490494.db2.gz NMHMFRZIUWWKDA-TZMCWYRMSA-N 2 0 350.429 0.965 20 0 FCADRP NC(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000367989551 216188695 /nfs/dbraw/zinc/18/86/95/216188695.db2.gz QVSMRZCJBOVRSZ-INIZCTEOSA-N 2 0 360.458 0.655 20 0 FCADRP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)CC2)c1 ZINC000367987935 216189827 /nfs/dbraw/zinc/18/98/27/216189827.db2.gz IBWYBGUXJFRIGG-SFHVURJKSA-N 2 0 358.486 0.837 20 0 FCADRP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000368198137 216215560 /nfs/dbraw/zinc/21/55/60/216215560.db2.gz KQQXJMDKTWUAGP-IXDOHACOSA-N 2 0 353.507 0.933 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000246535154 209390298 /nfs/dbraw/zinc/39/02/98/209390298.db2.gz AMLCNHZNBVJYNY-FGTMMUONSA-N 2 0 351.539 0.996 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2cncc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000246407083 209387901 /nfs/dbraw/zinc/38/79/01/209387901.db2.gz PWNNJJBSSXZDGQ-HUUCEWRRSA-N 2 0 359.474 0.445 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000237228572 209348602 /nfs/dbraw/zinc/34/86/02/209348602.db2.gz GKOXZJAUFJPHGI-QGZVFWFLSA-N 2 0 366.487 0.561 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000237946476 209361396 /nfs/dbraw/zinc/36/13/96/209361396.db2.gz DZOJZKUYFWFYMO-INIZCTEOSA-N 2 0 366.506 0.335 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000237457239 209352831 /nfs/dbraw/zinc/35/28/31/209352831.db2.gz BAZUUWGBODHEIJ-ZBFHGGJFSA-N 2 0 355.504 0.775 20 0 FCADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237216995 209349927 /nfs/dbraw/zinc/34/99/27/209349927.db2.gz QWBOXPHNDCDJRT-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000237227952 209349354 /nfs/dbraw/zinc/34/93/54/209349354.db2.gz SVVVVQBCODYIAG-ZIAGYGMSSA-N 2 0 366.487 0.689 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000237228453 209348370 /nfs/dbraw/zinc/34/83/70/209348370.db2.gz SVVVVQBCODYIAG-KBPBESRZSA-N 2 0 366.487 0.689 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000369333351 216384204 /nfs/dbraw/zinc/38/42/04/216384204.db2.gz BMHXCJKPBYHPPG-HKUYNNGSSA-N 2 0 357.539 0.889 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401137 216396781 /nfs/dbraw/zinc/39/67/81/216396781.db2.gz KQDKZSLROAWSLZ-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CC1)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188292101 209227631 /nfs/dbraw/zinc/22/76/31/209227631.db2.gz JVWUWSDJDOVTHS-FOIQADDNSA-N 2 0 374.485 0.932 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000276619015 212265385 /nfs/dbraw/zinc/26/53/85/212265385.db2.gz INQGYEZEJLVLHZ-FRFSOERESA-N 2 0 364.465 0.868 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000414709037 245314423 /nfs/dbraw/zinc/31/44/23/245314423.db2.gz DPVNWNCVYDPWHJ-INIZCTEOSA-N 2 0 373.501 0.885 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415312707 245384036 /nfs/dbraw/zinc/38/40/36/245384036.db2.gz GVXYVSUUZIWKJA-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415339850 245393465 /nfs/dbraw/zinc/39/34/65/245393465.db2.gz CWEXYTWDEMPPMR-GFCCVEGCSA-N 2 0 352.410 0.525 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145987 217101749 /nfs/dbraw/zinc/10/17/49/217101749.db2.gz DKOXRYCMKCVJQU-CVEARBPZSA-N 2 0 353.511 0.175 20 0 FCADRP O[C@@H](COCc1cccs1)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000375000392 217202300 /nfs/dbraw/zinc/20/23/00/217202300.db2.gz WIRNBTYQXZAJIQ-MRXNPFEDSA-N 2 0 370.515 0.785 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000183088028 209140039 /nfs/dbraw/zinc/14/00/39/209140039.db2.gz BLJBTMDFMAQAFD-SQNIBIBYSA-N 2 0 351.539 0.996 20 0 FCADRP CN(C(=O)NCCN1CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375382332 217257911 /nfs/dbraw/zinc/25/79/11/217257911.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 2 0 353.511 0.129 20 0 FCADRP CCN1C(=O)[C@@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCN2C1=O ZINC000375596060 217288726 /nfs/dbraw/zinc/28/87/26/217288726.db2.gz HCJPPTPOZYKIRI-INIZCTEOSA-N 2 0 351.495 0.371 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C[NH2+]1 ZINC000417363654 245686693 /nfs/dbraw/zinc/68/66/93/245686693.db2.gz GIRLMUTVEBCSSN-IAGOWNOFSA-N 3 0 360.506 0.986 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H]([NH3+])C3CC3)c2)C1 ZINC000417543294 245706688 /nfs/dbraw/zinc/70/66/88/245706688.db2.gz FTENGLVHIQRRDD-ROUUACIJSA-N 2 0 373.501 0.920 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418370593 245781405 /nfs/dbraw/zinc/78/14/05/245781405.db2.gz OUADGHDOXAFSAR-INIZCTEOSA-N 2 0 367.538 0.864 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418548565 245797252 /nfs/dbraw/zinc/79/72/52/245797252.db2.gz KVYWALNSFNUQBG-BZSNNMDCSA-N 2 0 362.474 0.818 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418442301 245786758 /nfs/dbraw/zinc/78/67/58/245786758.db2.gz JREKKJVMWJSJPN-XHSDSOJGSA-N 2 0 353.511 0.794 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419118626 245993221 /nfs/dbraw/zinc/99/32/21/245993221.db2.gz XDWRABDLORVZHE-CYBMUJFWSA-N 2 0 360.380 0.841 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419129918 246004267 /nfs/dbraw/zinc/00/42/67/246004267.db2.gz DSBRYXXMJBMNAK-RYRKJORJSA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000419151138 246018936 /nfs/dbraw/zinc/01/89/36/246018936.db2.gz NDHGZJIOIHGATA-XJKSGUPXSA-N 2 0 364.515 0.930 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419153332 246020442 /nfs/dbraw/zinc/02/04/42/246020442.db2.gz PJWGCJWTHFUBQQ-SJORKVTESA-N 2 0 374.485 0.596 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419158834 246024790 /nfs/dbraw/zinc/02/47/90/246024790.db2.gz YLBIVIZUEVAFBG-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419135397 246009392 /nfs/dbraw/zinc/00/93/92/246009392.db2.gz MMRNKOPKPFOQLB-QZTJIDSGSA-N 2 0 374.485 0.262 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000419139437 246011112 /nfs/dbraw/zinc/01/11/12/246011112.db2.gz URSQFAPZGARTDY-ROUUACIJSA-N 2 0 374.485 0.343 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000419137065 246011591 /nfs/dbraw/zinc/01/15/91/246011591.db2.gz PXXCZPYLBHEGCG-AWEZNQCLSA-N 2 0 362.474 0.487 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419137122 246011966 /nfs/dbraw/zinc/01/19/66/246011966.db2.gz QDQWGUQXZNPVIQ-SQNIBIBYSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419141829 246013557 /nfs/dbraw/zinc/01/35/57/246013557.db2.gz XLDOWXPPINRXCU-CYBMUJFWSA-N 2 0 352.504 0.930 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419146833 246015890 /nfs/dbraw/zinc/01/58/90/246015890.db2.gz IQWJVHYNMRMQSS-KBPBESRZSA-N 2 0 350.488 0.554 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419145812 246016122 /nfs/dbraw/zinc/01/61/22/246016122.db2.gz AOZKAXRBCQUBRM-OTWHNJEPSA-N 2 0 370.497 0.488 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168999 246030558 /nfs/dbraw/zinc/03/05/58/246030558.db2.gz TXYUXXUKYUBUKA-ROUUACIJSA-N 2 0 374.485 0.262 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171376 246032599 /nfs/dbraw/zinc/03/25/99/246032599.db2.gz XNYPSIVZNBFEDF-ZWKOTPCHSA-N 2 0 374.485 0.247 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419181137 246039373 /nfs/dbraw/zinc/03/93/73/246039373.db2.gz XXKPGFRDKKRAAU-PMPSAXMXSA-N 2 0 373.501 0.932 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H]1C[NH3+] ZINC000419185112 246041492 /nfs/dbraw/zinc/04/14/92/246041492.db2.gz GVBBFCSACLYZEO-MAUKXSAKSA-N 2 0 373.501 0.748 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419196452 246046286 /nfs/dbraw/zinc/04/62/86/246046286.db2.gz BAUMBNBGODEFPL-ZBFHGGJFSA-N 2 0 362.474 0.439 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419215759 246058693 /nfs/dbraw/zinc/05/86/93/246058693.db2.gz ZEJAPBGFNRKBAH-KRWDZBQOSA-N 2 0 362.474 0.119 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213906 246058855 /nfs/dbraw/zinc/05/88/55/246058855.db2.gz WZUVIMFWTYJVCC-ZWKOTPCHSA-N 2 0 374.485 0.343 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419213890 246060500 /nfs/dbraw/zinc/06/05/00/246060500.db2.gz WYNFTPISSCGDJT-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221871 246062007 /nfs/dbraw/zinc/06/20/07/246062007.db2.gz AWMUEZXXZWEKRR-GDAAHCPNSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419223443 246062853 /nfs/dbraw/zinc/06/28/53/246062853.db2.gz CYOBNQLIYGSBQM-BPQIPLTHSA-N 2 0 374.485 0.199 20 0 FCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NCC3C[NH2+]C3)c2)CC1 ZINC000419198635 246049010 /nfs/dbraw/zinc/04/90/10/246049010.db2.gz BWVNXLRLFYNMDA-UHFFFAOYSA-N 2 0 358.486 0.870 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCC3C[NH2+]C3)cc2)C1 ZINC000419204832 246052458 /nfs/dbraw/zinc/05/24/58/246052458.db2.gz JHSAGODMEKWWMV-HNNXBMFYSA-N 2 0 358.486 0.870 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419238689 246074852 /nfs/dbraw/zinc/07/48/52/246074852.db2.gz DMPZZAVMOGSBDL-HZPDHXFCSA-N 2 0 360.502 0.937 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317841 246097762 /nfs/dbraw/zinc/09/77/62/246097762.db2.gz NESUVVKSLSBHEQ-ZYRRHWMLSA-N 2 0 374.460 0.820 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419324837 246099478 /nfs/dbraw/zinc/09/94/78/246099478.db2.gz WDHUFCYGLPPZGJ-RASHJEQFSA-N 2 0 374.460 0.820 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329487 246100866 /nfs/dbraw/zinc/10/08/66/246100866.db2.gz GJYVIBDYPFAKLL-VIBAHUMZSA-N 2 0 356.470 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419344877 246107293 /nfs/dbraw/zinc/10/72/93/246107293.db2.gz SMNCOYSZFIRNAY-CABCVRRESA-N 2 0 359.474 0.371 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419366016 246120035 /nfs/dbraw/zinc/12/00/35/246120035.db2.gz YFMQCNBBLUBNOL-GOSISDBHSA-N 2 0 372.469 0.650 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H]1C[NH3+] ZINC000419372111 246122831 /nfs/dbraw/zinc/12/28/31/246122831.db2.gz KHGLQXWZFPKEMZ-YJBOKZPZSA-N 2 0 372.513 0.788 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419371620 246123393 /nfs/dbraw/zinc/12/33/93/246123393.db2.gz IZLGOLITNWCRNZ-QGZVFWFLSA-N 2 0 360.502 0.836 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419375807 246124521 /nfs/dbraw/zinc/12/45/21/246124521.db2.gz RGDORGRZXOPRRN-RHSMWYFYSA-N 2 0 358.486 0.398 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419380708 246125501 /nfs/dbraw/zinc/12/55/01/246125501.db2.gz XJIWOFILKVBWEY-HNNXBMFYSA-N 2 0 358.486 0.318 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000419376300 246125679 /nfs/dbraw/zinc/12/56/79/246125679.db2.gz RXNRUFJOUBVMOJ-QGZVFWFLSA-N 2 0 358.486 0.460 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCCN1CCc2ccccc2C1 ZINC000419387511 246126894 /nfs/dbraw/zinc/12/68/94/246126894.db2.gz FRJJMIFXPWSLIN-UHFFFAOYSA-N 2 0 356.470 0.587 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000419360266 246115950 /nfs/dbraw/zinc/11/59/50/246115950.db2.gz SCNLAMFSIVWXGH-NVXWUHKLSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419413372 246146502 /nfs/dbraw/zinc/14/65/02/246146502.db2.gz FKLKVDDFCPWMBM-GOSISDBHSA-N 2 0 373.501 0.265 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419398456 246133813 /nfs/dbraw/zinc/13/38/13/246133813.db2.gz XCGYPWOZNDLWKD-UHFFFAOYSA-N 2 0 358.486 0.889 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401997 246136145 /nfs/dbraw/zinc/13/61/45/246136145.db2.gz PRBCWOYFWMIEMG-NQYYFHDYSA-N 2 0 370.497 0.834 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419415642 246150675 /nfs/dbraw/zinc/15/06/75/246150675.db2.gz VNRNTZJWTXLRLG-APHBMKBZSA-N 2 0 350.438 0.788 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419408508 246142006 /nfs/dbraw/zinc/14/20/06/246142006.db2.gz LXWLXZDAFYEEPC-YYIAUSFCSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409186 246143125 /nfs/dbraw/zinc/14/31/25/246143125.db2.gz DTRLBMYAWNUULY-DJIMGWMZSA-N 2 0 362.474 0.246 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419410918 246143934 /nfs/dbraw/zinc/14/39/34/246143934.db2.gz AXDDRZKIIVQDIJ-QGZVFWFLSA-N 2 0 373.501 0.265 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419420695 246153845 /nfs/dbraw/zinc/15/38/45/246153845.db2.gz KFUOQYQVRUDNFK-QAPCUYQASA-N 2 0 358.486 0.795 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000419428135 246159824 /nfs/dbraw/zinc/15/98/24/246159824.db2.gz SRKONXIKSZVIGI-SJORKVTESA-N 2 0 360.458 0.126 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419418941 246151360 /nfs/dbraw/zinc/15/13/60/246151360.db2.gz YUQRPVLIPHVPPM-CRAIPNDOSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419510893 246185355 /nfs/dbraw/zinc/18/53/55/246185355.db2.gz WSFJVXWNTYLZNI-JFIYKMOQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419506475 246185539 /nfs/dbraw/zinc/18/55/39/246185539.db2.gz MJQDFRQAXRMYRE-JFIYKMOQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419475108 246176419 /nfs/dbraw/zinc/17/64/19/246176419.db2.gz DEOHBHYZKMVLFK-ZACQAIPSSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419485741 246177602 /nfs/dbraw/zinc/17/76/02/246177602.db2.gz WGDURLVXGVAVNW-XHSDSOJGSA-N 2 0 354.495 0.047 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419479847 246178211 /nfs/dbraw/zinc/17/82/11/246178211.db2.gz MAJLVARFLGGUAA-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419481873 246178378 /nfs/dbraw/zinc/17/83/78/246178378.db2.gz PVLJIEBFGXJGKN-XWTMOSNGSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419482364 246179024 /nfs/dbraw/zinc/17/90/24/246179024.db2.gz QIUYCISVWYZTGU-BRWVUGGUSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419587086 246211340 /nfs/dbraw/zinc/21/13/40/246211340.db2.gz NFGBTWIKXKAEIS-OAUYIBNBSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419536580 246194089 /nfs/dbraw/zinc/19/40/89/246194089.db2.gz USSMLGMSAMIVQZ-SPUZQDLCSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419532199 246195672 /nfs/dbraw/zinc/19/56/72/246195672.db2.gz MSYPUBSFHMDDGV-NJAFHUGGSA-N 2 0 358.486 0.739 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419647816 246228598 /nfs/dbraw/zinc/22/85/98/246228598.db2.gz LSYHCUSBFFPMRZ-RPVQJOFSSA-N 2 0 374.460 0.679 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)CN)CC[N@@H+]1Cc1ccccc1 ZINC000419654519 246231054 /nfs/dbraw/zinc/23/10/54/246231054.db2.gz GRAIMEJUHMLXJK-UKRRQHHQSA-N 2 0 368.428 0.866 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650621 246231800 /nfs/dbraw/zinc/23/18/00/246231800.db2.gz OGHIYXJULDLNER-FHLIZLRMSA-N 2 0 356.470 0.540 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419688296 246249610 /nfs/dbraw/zinc/24/96/10/246249610.db2.gz GJTUHSBHNHAEQD-OAHLLOKOSA-N 2 0 368.547 0.580 20 0 FCADRP [NH3+]C1CCC(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000419687036 246250103 /nfs/dbraw/zinc/25/01/03/246250103.db2.gz OWEPSJLWFJUNLV-UHFFFAOYSA-N 2 0 368.547 0.850 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691689 246252452 /nfs/dbraw/zinc/25/24/52/246252452.db2.gz MVNZYPDLIUESSF-UHFFFAOYSA-N 2 0 356.536 0.580 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000419695820 246255541 /nfs/dbraw/zinc/25/55/41/246255541.db2.gz NFDUFDQXZDCREU-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000419722708 246270211 /nfs/dbraw/zinc/27/02/11/246270211.db2.gz MVKDYZUUROVYPC-HOTGVXAUSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419722710 246270271 /nfs/dbraw/zinc/27/02/71/246270271.db2.gz MVKDYZUUROVYPC-HZPDHXFCSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419703491 246260005 /nfs/dbraw/zinc/26/00/05/246260005.db2.gz DILMIXAIWMEDDX-JFIYKMOQSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419705929 246262041 /nfs/dbraw/zinc/26/20/41/246262041.db2.gz BSSNLVKQHSJJMX-MAUKXSAKSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419709934 246263218 /nfs/dbraw/zinc/26/32/18/246263218.db2.gz PMMRHOQEJBCWSF-NJAFHUGGSA-N 2 0 374.485 0.260 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CCCC2)CC1 ZINC000419750887 246281526 /nfs/dbraw/zinc/28/15/26/246281526.db2.gz JLNVPCRYVMAUDW-MRXNPFEDSA-N 2 0 368.522 0.626 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000419750596 246281559 /nfs/dbraw/zinc/28/15/59/246281559.db2.gz IZUCIQNAIHTACT-OAHLLOKOSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757887 246285989 /nfs/dbraw/zinc/28/59/89/246285989.db2.gz JFVMFMGIAQMSJU-ZFWWWQNUSA-N 2 0 350.438 0.569 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755722 246286083 /nfs/dbraw/zinc/28/60/83/246286083.db2.gz DVJOEAPUWXSLJP-HOCLYGCPSA-N 2 0 350.438 0.617 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419756542 246286953 /nfs/dbraw/zinc/28/69/53/246286953.db2.gz GNVYMVXRKWIOCU-UHFFFAOYSA-N 2 0 364.465 0.880 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419760240 246289732 /nfs/dbraw/zinc/28/97/32/246289732.db2.gz ZAFHWXSEXRRAPI-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000419766917 246290820 /nfs/dbraw/zinc/29/08/20/246290820.db2.gz ZMNFMYZJVPELDO-WMLDXEAASA-N 2 0 364.465 0.960 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000419769885 246291234 /nfs/dbraw/zinc/29/12/34/246291234.db2.gz WJMAAKHOKBUDTN-ZWKOTPCHSA-N 2 0 374.485 0.118 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419808063 246302760 /nfs/dbraw/zinc/30/27/60/246302760.db2.gz GMRKNWVLLHCRLP-PBHICJAKSA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000419808137 246303233 /nfs/dbraw/zinc/30/32/33/246303233.db2.gz GRRZBSJLVILQQO-FUHWJXTLSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCCC1 ZINC000419821128 246306016 /nfs/dbraw/zinc/30/60/16/246306016.db2.gz PBRIQAGJHSVOSR-UHFFFAOYSA-N 2 0 366.506 0.335 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419828303 246307374 /nfs/dbraw/zinc/30/73/74/246307374.db2.gz URAASRREOAZROA-WMLDXEAASA-N 2 0 362.474 0.659 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862632 246332431 /nfs/dbraw/zinc/33/24/31/246332431.db2.gz MYQSQFNRTPQFBB-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419866948 246334852 /nfs/dbraw/zinc/33/48/52/246334852.db2.gz QFBDXRJIAKZHSB-MRXNPFEDSA-N 2 0 350.438 0.569 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419866947 246335671 /nfs/dbraw/zinc/33/56/71/246335671.db2.gz QFBDXRJIAKZHSB-INIZCTEOSA-N 2 0 350.438 0.569 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419913550 246365693 /nfs/dbraw/zinc/36/56/93/246365693.db2.gz NBAXRDYLRZIEGD-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419916374 246368838 /nfs/dbraw/zinc/36/88/38/246368838.db2.gz QPEFBHKFNUBXEK-AWEZNQCLSA-N 2 0 352.504 0.754 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000419931381 246375375 /nfs/dbraw/zinc/37/53/75/246375375.db2.gz PDMWYCDNHNJNPV-AEFFLSMTSA-N 2 0 374.485 0.373 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419933562 246376647 /nfs/dbraw/zinc/37/66/47/246376647.db2.gz FGHQZJNINMGVIO-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419876412 246344197 /nfs/dbraw/zinc/34/41/97/246344197.db2.gz PPSDZGFLDNSAKN-SJORKVTESA-N 2 0 367.538 0.118 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419889146 246352828 /nfs/dbraw/zinc/35/28/28/246352828.db2.gz GOLLUBIVSMBLQJ-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901508 246359150 /nfs/dbraw/zinc/35/91/50/246359150.db2.gz UCITYINKWOZEOQ-OAHLLOKOSA-N 2 0 368.428 0.723 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419900853 246360736 /nfs/dbraw/zinc/36/07/36/246360736.db2.gz RVCOJEKSZIJZRB-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000419908554 246363028 /nfs/dbraw/zinc/36/30/28/246363028.db2.gz YQGIGBCKGAQRFU-HRCADAONSA-N 2 0 354.495 0.060 20 0 FCADRP CN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419943795 246381705 /nfs/dbraw/zinc/38/17/05/246381705.db2.gz HUDLVBIHRVODDL-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419960698 246388825 /nfs/dbraw/zinc/38/88/25/246388825.db2.gz WQTHEHQIKPPRTL-WMZOPIPTSA-N 2 0 360.502 0.939 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419962953 246389716 /nfs/dbraw/zinc/38/97/16/246389716.db2.gz VOXFMNCCTJNDFU-KRWDZBQOSA-N 2 0 360.502 0.865 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420074838 246453244 /nfs/dbraw/zinc/45/32/44/246453244.db2.gz ZYWVEKNNQHHFMG-DLBZAZTESA-N 2 0 366.506 0.191 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422998222 246943188 /nfs/dbraw/zinc/94/31/88/246943188.db2.gz VZGXMLCJBGFPLQ-HOCLYGCPSA-N 2 0 355.504 0.907 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000423170434 246971033 /nfs/dbraw/zinc/97/10/33/246971033.db2.gz LWODEUJRAQPREF-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423368842 247013864 /nfs/dbraw/zinc/01/38/64/247013864.db2.gz NRLSZZJYPASEIY-AWEZNQCLSA-N 2 0 352.504 0.849 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000423392365 247018260 /nfs/dbraw/zinc/01/82/60/247018260.db2.gz QGIUFXSWQIFFHQ-OWCLPIDISA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)[NH2+]1 ZINC000423567460 247054723 /nfs/dbraw/zinc/05/47/23/247054723.db2.gz CXSCYGICTNWXAX-MVJTYMMSSA-N 2 0 373.501 0.742 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423569675 247057089 /nfs/dbraw/zinc/05/70/89/247057089.db2.gz SGYPVDJIRDFICM-GDBMZVCRSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423583544 247061985 /nfs/dbraw/zinc/06/19/85/247061985.db2.gz KJCHZYBQIASDOE-HNNXBMFYSA-N 2 0 368.522 0.532 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423581567 247062610 /nfs/dbraw/zinc/06/26/10/247062610.db2.gz VKIVIASFBSHAAK-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423583825 247063108 /nfs/dbraw/zinc/06/31/08/247063108.db2.gz BADHLBJNUNOHHZ-HNNXBMFYSA-N 2 0 368.503 0.215 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423588669 247064629 /nfs/dbraw/zinc/06/46/29/247064629.db2.gz BBMJRKSBBVNGEV-AEFFLSMTSA-N 2 0 358.486 0.787 20 0 FCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC000423596094 247068242 /nfs/dbraw/zinc/06/82/42/247068242.db2.gz QXVYZKFIFBRLFX-DZGCQCFKSA-N 2 0 353.488 0.750 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@@H]1C[NH3+] ZINC000423437646 247027372 /nfs/dbraw/zinc/02/73/72/247027372.db2.gz GJVOKERQBBYOAJ-PVAVHDDUSA-N 2 0 350.507 0.620 20 0 FCADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423440949 247027661 /nfs/dbraw/zinc/02/76/61/247027661.db2.gz IUUWMZOLUPGYRJ-KRWDZBQOSA-N 2 0 373.501 0.572 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000423438210 247028332 /nfs/dbraw/zinc/02/83/32/247028332.db2.gz GZCPULTYTSFOHK-BRWVUGGUSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000423452723 247030180 /nfs/dbraw/zinc/03/01/80/247030180.db2.gz WSMWFPHGLFTZAL-CRAIPNDOSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000423467672 247033670 /nfs/dbraw/zinc/03/36/70/247033670.db2.gz BMYUFPWRAXJVAE-GJZGRUSLSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423686450 247111562 /nfs/dbraw/zinc/11/15/62/247111562.db2.gz UBGGYZUOMPKEDD-GVDBMIGSSA-N 2 0 366.506 0.286 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423619709 247079338 /nfs/dbraw/zinc/07/93/38/247079338.db2.gz IQMWLBFTJLJVCT-HNNXBMFYSA-N 2 0 350.463 0.900 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000423649870 247092068 /nfs/dbraw/zinc/09/20/68/247092068.db2.gz TUMGMCMAUDWNOB-MSOLQXFVSA-N 2 0 370.497 0.917 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CCN1CCOC ZINC000423666964 247103754 /nfs/dbraw/zinc/10/37/54/247103754.db2.gz AFEZYPLXHQIKHT-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC000423709598 247118965 /nfs/dbraw/zinc/11/89/65/247118965.db2.gz WJFDOUMPFRYCNE-KURKYZTESA-N 2 0 351.491 0.842 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423730638 247130181 /nfs/dbraw/zinc/13/01/81/247130181.db2.gz NKEZYHOMOBDMRN-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423730386 247131391 /nfs/dbraw/zinc/13/13/91/247131391.db2.gz XWNPCGKWKPQHRQ-BZUAXINKSA-N 2 0 368.522 0.530 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000423743363 247134213 /nfs/dbraw/zinc/13/42/13/247134213.db2.gz LRBKBUWZPKKDTQ-LULLPPNCSA-N 2 0 370.497 0.773 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000425457712 247342305 /nfs/dbraw/zinc/34/23/05/247342305.db2.gz LBYFKQOPWVLDKJ-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP CC[C@](C)(OC)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000435679070 248007972 /nfs/dbraw/zinc/00/79/72/248007972.db2.gz VPGPBSADCOSQHJ-IBGZPJMESA-N 2 0 368.522 0.498 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000436062489 248031004 /nfs/dbraw/zinc/03/10/04/248031004.db2.gz RJGDEWVNNWZBAB-HNNXBMFYSA-N 2 0 372.469 0.992 20 0 FCADRP CC1=CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC=C(C)C3)CC2)C1 ZINC000436268846 248037056 /nfs/dbraw/zinc/03/70/56/248037056.db2.gz IAIAPTGPBFYVFF-UHFFFAOYSA-N 2 0 360.502 0.961 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000440972903 248227333 /nfs/dbraw/zinc/22/73/33/248227333.db2.gz NUHJHEBRGOCQBU-INMHGKMJSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440982067 248229583 /nfs/dbraw/zinc/22/95/83/248229583.db2.gz PNBKXYLSYRKRJM-QGZVFWFLSA-N 2 0 368.570 0.338 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1(C)C ZINC000442878698 248299273 /nfs/dbraw/zinc/29/92/73/248299273.db2.gz ZQKQRZIZAQFUAS-UHFFFAOYSA-N 3 0 367.582 0.399 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)C1 ZINC000444261556 248353586 /nfs/dbraw/zinc/35/35/86/248353586.db2.gz FYCQJKQFPTXAJJ-ZHALLVOQSA-N 2 0 350.507 0.239 20 0 FCADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000444353836 248355960 /nfs/dbraw/zinc/35/59/60/248355960.db2.gz RXYNTKJNVTXUPE-CRAIPNDOSA-N 2 0 353.507 0.933 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445878876 248378804 /nfs/dbraw/zinc/37/88/04/248378804.db2.gz WWLMJWSSPJYNRO-UHFFFAOYSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCN(C)CC1 ZINC000446376749 248388393 /nfs/dbraw/zinc/38/83/93/248388393.db2.gz LPQFTAKOLZLPOR-YYAJDYIMSA-N 2 0 352.523 0.519 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446615835 248392223 /nfs/dbraw/zinc/39/22/23/248392223.db2.gz RMBUIGQTNFZKAN-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP COC(=O)C1CC[NH+](CCCNc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000271338112 211381956 /nfs/dbraw/zinc/38/19/56/211381956.db2.gz SUTSOULMHZXOSU-UHFFFAOYSA-N 2 0 359.434 0.932 20 0 FCADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCOCC2 ZINC000469783022 250003502 /nfs/dbraw/zinc/00/35/02/250003502.db2.gz IQTXKOWGRWPVLY-RTBURBONSA-N 2 0 369.550 0.940 20 0 FCADRP CC(C)OCCN1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000470724473 250058482 /nfs/dbraw/zinc/05/84/82/250058482.db2.gz UDXJIBOOAWXSHO-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP CNS(=O)(=O)c1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)co1 ZINC000270076437 211149526 /nfs/dbraw/zinc/14/95/26/211149526.db2.gz UBRDANWFOBATHJ-UHFFFAOYSA-N 2 0 374.507 0.533 20 0 FCADRP CC(C)[NH+]1CCN(C2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471662131 250114605 /nfs/dbraw/zinc/11/46/05/250114605.db2.gz JPCPRZJJPFKKDI-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000472982261 250191050 /nfs/dbraw/zinc/19/10/50/250191050.db2.gz BTRSTWZFEHNBDP-IRXDYDNUSA-N 2 0 355.527 0.375 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000472982262 250191372 /nfs/dbraw/zinc/19/13/72/250191372.db2.gz BTRSTWZFEHNBDP-SJORKVTESA-N 2 0 355.527 0.375 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000480979133 250305301 /nfs/dbraw/zinc/30/53/01/250305301.db2.gz LGLZCVBBUOCJFE-VQHPVUNQSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481067191 250310501 /nfs/dbraw/zinc/31/05/01/250310501.db2.gz BJEFDCKVBLSYKA-KRWDZBQOSA-N 2 0 357.568 0.749 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000481203661 250321497 /nfs/dbraw/zinc/32/14/97/250321497.db2.gz SSRQRFYWCCPTRX-PMPSAXMXSA-N 2 0 350.507 0.990 20 0 FCADRP CCc1ncc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000269677626 211042364 /nfs/dbraw/zinc/04/23/64/211042364.db2.gz NMVWGFXGPSCZDJ-UHFFFAOYSA-N 2 0 364.494 0.710 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+](C)C1 ZINC000413111986 532992622 /nfs/dbraw/zinc/99/26/22/532992622.db2.gz UXKHBBDJUMATRA-GOSISDBHSA-N 2 0 374.485 0.791 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413160524 532998058 /nfs/dbraw/zinc/99/80/58/532998058.db2.gz CYFLJEXNUVSKJB-OWCLPIDISA-N 2 0 354.495 0.853 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000073236668 208047283 /nfs/dbraw/zinc/04/72/83/208047283.db2.gz RLPNLGPNFBDFCK-KRWDZBQOSA-N 2 0 368.522 0.851 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000063723359 208010793 /nfs/dbraw/zinc/01/07/93/208010793.db2.gz GYWHVJBYTDGVKI-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000076464690 208068614 /nfs/dbraw/zinc/06/86/14/208068614.db2.gz WWBZXHMTDQRXET-FUHWJXTLSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000089393413 208122300 /nfs/dbraw/zinc/12/23/00/208122300.db2.gz NHMPGCTYIIRSTM-QGZVFWFLSA-N 2 0 373.501 0.824 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000089896001 208125477 /nfs/dbraw/zinc/12/54/77/208125477.db2.gz RJPKYIJSOJVRDG-MSOLQXFVSA-N 2 0 364.490 0.499 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000083231543 208104240 /nfs/dbraw/zinc/10/42/40/208104240.db2.gz DSNUUHKCRKILHC-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266712973 210386874 /nfs/dbraw/zinc/38/68/74/210386874.db2.gz IMDHZVVEHLLOEN-GOSISDBHSA-N 2 0 359.518 0.631 20 0 FCADRP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NCC[NH+]1CCCCC1 ZINC000412315792 533071724 /nfs/dbraw/zinc/07/17/24/533071724.db2.gz CBOKXGMFSYCKDT-HUUCEWRRSA-N 2 0 356.536 0.531 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000177890898 209037228 /nfs/dbraw/zinc/03/72/28/209037228.db2.gz GYMLDKHJRBWLPV-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000178647468 209056021 /nfs/dbraw/zinc/05/60/21/209056021.db2.gz NEXKCEYPGVLEFO-INIZCTEOSA-N 2 0 367.465 0.955 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000179032652 209070136 /nfs/dbraw/zinc/07/01/36/209070136.db2.gz KEYSQRDLTMYUNZ-NJAFHUGGSA-N 2 0 358.486 0.836 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413489058 533478387 /nfs/dbraw/zinc/47/83/87/533478387.db2.gz QXWBFZHCRNBGJW-HOTGVXAUSA-N 2 0 370.494 0.234 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413150820 533480598 /nfs/dbraw/zinc/48/05/98/533480598.db2.gz VWBOPAUUJSQZPG-HOTGVXAUSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+](C)C1 ZINC000413322774 533481848 /nfs/dbraw/zinc/48/18/48/533481848.db2.gz IMFNGEQRZFAKBV-IRXDYDNUSA-N 2 0 366.506 0.997 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000410166176 533492481 /nfs/dbraw/zinc/49/24/81/533492481.db2.gz AKSIKKSWDBXUDW-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412320028 533493730 /nfs/dbraw/zinc/49/37/30/533493730.db2.gz VEDMSMKRADMUDZ-IXDOHACOSA-N 2 0 368.522 0.497 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156162566 229190435 /nfs/dbraw/zinc/19/04/35/229190435.db2.gz GQVMOIUYBRGIHY-QZTJIDSGSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)n1 ZINC000178763973 229224443 /nfs/dbraw/zinc/22/44/43/229224443.db2.gz WGGMDFPAKDJKLM-UHFFFAOYSA-N 2 0 350.467 0.375 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187334721 229239611 /nfs/dbraw/zinc/23/96/11/229239611.db2.gz OJXLWTJWWZDVCG-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410454973 230086412 /nfs/dbraw/zinc/08/64/12/230086412.db2.gz YTVAZNZTWIJSST-SFHVURJKSA-N 2 0 360.502 0.936 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000410474231 230093164 /nfs/dbraw/zinc/09/31/64/230093164.db2.gz KRTYVYMUSODVOI-GOSISDBHSA-N 2 0 372.513 0.926 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410479383 230097799 /nfs/dbraw/zinc/09/77/99/230097799.db2.gz UAAJZYIUMQQXEX-DOTOQJQBSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729049 230218552 /nfs/dbraw/zinc/21/85/52/230218552.db2.gz GSUVXCHDZFWBOI-RDJZCZTQSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410937991 230313025 /nfs/dbraw/zinc/31/30/25/230313025.db2.gz MMOXFVWGNNHALR-HNNXBMFYSA-N 2 0 368.522 0.090 20 0 FCADRP CC[C@@H]1C(=O)NCCC[NH+]1CCOCC[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933217614 674250883 /nfs/dbraw/zinc/25/08/83/674250883.db2.gz MLNQSRAKZFEFRI-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)c1 ZINC000278290113 488866049 /nfs/dbraw/zinc/86/60/49/488866049.db2.gz ACDQOBBZDYJCPI-ZDUSSCGKSA-N 2 0 356.430 0.853 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000475452872 484302083 /nfs/dbraw/zinc/30/20/83/484302083.db2.gz VVUWSOLQLBEUHR-UHFFFAOYSA-N 2 0 350.467 0.374 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000562800564 491189513 /nfs/dbraw/zinc/18/95/13/491189513.db2.gz GEHIDJROOQQTGP-INIZCTEOSA-N 2 0 369.579 0.941 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000562795314 491189738 /nfs/dbraw/zinc/18/97/38/491189738.db2.gz CVKMULDKUVPXPQ-HNNXBMFYSA-N 2 0 363.462 0.538 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312041185 488895301 /nfs/dbraw/zinc/89/53/01/488895301.db2.gz WHQILHXQHIXDBD-MSOLQXFVSA-N 2 0 356.470 0.399 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278968269 488907692 /nfs/dbraw/zinc/90/76/92/488907692.db2.gz IQYDEIFLMKVBEI-BBRMVZONSA-N 2 0 362.478 0.159 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364232367 488938546 /nfs/dbraw/zinc/93/85/46/488938546.db2.gz YUJWBXZJVQMXBU-IYBDPMFKSA-N 2 0 369.506 0.877 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000569793450 491191642 /nfs/dbraw/zinc/19/16/42/491191642.db2.gz NLSDYNQBJXJQFE-GJZGRUSLSA-N 2 0 351.495 0.323 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000066102843 488324781 /nfs/dbraw/zinc/32/47/81/488324781.db2.gz FLDKHGUYZMXGGT-HNNXBMFYSA-N 2 0 357.524 0.765 20 0 FCADRP O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805367 488374194 /nfs/dbraw/zinc/37/41/94/488374194.db2.gz HDFMVHYSZFBZAW-KRWDZBQOSA-N 2 0 364.534 0.774 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC000073429847 488384687 /nfs/dbraw/zinc/38/46/87/488384687.db2.gz VFSMAEKZCCQPHS-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152717 488388180 /nfs/dbraw/zinc/38/81/80/488388180.db2.gz LNMWDXPJOOXREK-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223759 488389151 /nfs/dbraw/zinc/38/91/51/488389151.db2.gz JWLKPOPWUCBVAH-QGZVFWFLSA-N 2 0 369.554 0.670 20 0 FCADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000183290166 488391469 /nfs/dbraw/zinc/39/14/69/488391469.db2.gz FOGZUGFWWLDYON-AWEZNQCLSA-N 2 0 355.504 0.891 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185244402 488400303 /nfs/dbraw/zinc/40/03/03/488400303.db2.gz BYAKFBMZQSBMRK-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000187372470 488409748 /nfs/dbraw/zinc/40/97/48/488409748.db2.gz OMUDJVHOPSQGQH-SJORKVTESA-N 2 0 356.511 0.368 20 0 FCADRP C[C@@H]1CN(Cc2ccccc2CN2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416505 /nfs/dbraw/zinc/41/65/05/488416505.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 0 364.486 0.850 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077836788 488418693 /nfs/dbraw/zinc/41/86/93/488418693.db2.gz RPSMVXILKVSHGB-QGZVFWFLSA-N 3 0 369.554 0.622 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000569843001 491197670 /nfs/dbraw/zinc/19/76/70/491197670.db2.gz RRCHTMOOOYLMLD-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079490887 488430168 /nfs/dbraw/zinc/43/01/68/488430168.db2.gz WGTAUXGWWWIPNM-UHFFFAOYSA-N 2 0 356.511 0.709 20 0 FCADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CN1CCNCC1=O ZINC000237590809 488455999 /nfs/dbraw/zinc/45/59/99/488455999.db2.gz MZRFFABOPVZMGU-UHFFFAOYSA-N 2 0 362.499 0.914 20 0 FCADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237929547 488457532 /nfs/dbraw/zinc/45/75/32/488457532.db2.gz MOHNTVFQOYPYFS-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961961 488459090 /nfs/dbraw/zinc/45/90/90/488459090.db2.gz JTFIICOJERMFCJ-OALUTQOASA-N 2 0 360.502 0.376 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000245557064 488464997 /nfs/dbraw/zinc/46/49/97/488464997.db2.gz UQJVXIBWJRCQIJ-TVFCKZIOSA-N 2 0 364.534 0.929 20 0 FCADRP CCC[C@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000245897857 488466896 /nfs/dbraw/zinc/46/68/96/488466896.db2.gz KSGJDOXTJSIBCZ-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246344063 488471782 /nfs/dbraw/zinc/47/17/82/488471782.db2.gz FAQITUCFDDSOQC-HUUCEWRRSA-N 2 0 364.494 0.620 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269260652 488484034 /nfs/dbraw/zinc/48/40/34/488484034.db2.gz VLVIZAUPDOSVPS-IBGZPJMESA-N 2 0 373.501 0.886 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C[C@H](C)O ZINC000248451625 488496484 /nfs/dbraw/zinc/49/64/84/488496484.db2.gz GAVHVFAGECJJLR-DOTOQJQBSA-N 2 0 364.490 0.939 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249010295 488505342 /nfs/dbraw/zinc/50/53/42/488505342.db2.gz OMUDJVHOPSQGQH-IAGOWNOFSA-N 2 0 356.511 0.368 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CCOCC1 ZINC000249108387 488506258 /nfs/dbraw/zinc/50/62/58/488506258.db2.gz MBVDQHGAICAZOX-IAGOWNOFSA-N 2 0 370.538 0.830 20 0 FCADRP C[C@H](O)CN1CC[N@H+](CCCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249405265 488509690 /nfs/dbraw/zinc/50/96/90/488509690.db2.gz XEXAVUVHPRZUIC-ZRNYENFQSA-N 2 0 370.582 0.540 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106557269 488514937 /nfs/dbraw/zinc/51/49/37/488514937.db2.gz FRRSGKYWOULFLL-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261600124 488526876 /nfs/dbraw/zinc/52/68/76/488526876.db2.gz AYKQUQJQKOICLW-OAHLLOKOSA-N 2 0 350.438 0.571 20 0 FCADRP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261609976 488527028 /nfs/dbraw/zinc/52/70/28/488527028.db2.gz DNNXVDIXCOFODK-ZDUSSCGKSA-N 2 0 351.447 0.999 20 0 FCADRP [NH3+][C@@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261614014 488527433 /nfs/dbraw/zinc/52/74/33/488527433.db2.gz BPADOXOZWYJPAX-LJQANCHMSA-N 2 0 360.502 0.674 20 0 FCADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000569987702 491208631 /nfs/dbraw/zinc/20/86/31/491208631.db2.gz FEPNUOAECBSLCL-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP C[NH2+][C@H]1CCCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261736159 488533789 /nfs/dbraw/zinc/53/37/89/488533789.db2.gz KCIATWNFYNSFRV-IBGZPJMESA-N 2 0 372.513 0.950 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261877241 488539470 /nfs/dbraw/zinc/53/94/70/488539470.db2.gz UGHNCRYMEPXGOX-SUMWQHHRSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261885989 488540033 /nfs/dbraw/zinc/54/00/33/488540033.db2.gz PXBCJWDSKQYKJE-LTIDMASMSA-N 2 0 366.506 0.250 20 0 FCADRP O=C1[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1c1ccccc1 ZINC000114501885 488540840 /nfs/dbraw/zinc/54/08/40/488540840.db2.gz KGMYYAAQHVOGGU-LJQANCHMSA-N 2 0 360.502 0.772 20 0 FCADRP CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000262164159 488554849 /nfs/dbraw/zinc/55/48/49/488554849.db2.gz HDOQSZFNPVWDLF-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000262283576 488561366 /nfs/dbraw/zinc/56/13/66/488561366.db2.gz UYOIGSBUWVQLJC-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000262283577 488561418 /nfs/dbraw/zinc/56/14/18/488561418.db2.gz UYOIGSBUWVQLJC-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122072357 488574768 /nfs/dbraw/zinc/57/47/68/488574768.db2.gz KJSHCWFLZPMKHG-FGTMMUONSA-N 2 0 358.486 0.663 20 0 FCADRP O=C1[C@@H]2COCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272443204 488581302 /nfs/dbraw/zinc/58/13/02/488581302.db2.gz OOAXJWRIISLKDF-INIZCTEOSA-N 2 0 359.430 0.257 20 0 FCADRP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000262677777 488585923 /nfs/dbraw/zinc/58/59/23/488585923.db2.gz UNQOUAPSXLMMQL-KBXCAEBGSA-N 2 0 372.473 0.836 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000124374310 488591835 /nfs/dbraw/zinc/59/18/35/488591835.db2.gz RMRKNUJDXCEGFI-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CC1=O ZINC000262791102 488593684 /nfs/dbraw/zinc/59/36/84/488593684.db2.gz NHAVLNAEYWRFTC-ZDUSSCGKSA-N 2 0 371.445 0.279 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1(C)C ZINC000262803265 488594655 /nfs/dbraw/zinc/59/46/55/488594655.db2.gz RQYJLXJHVUKVHU-FCEWJHQRSA-N 2 0 354.539 0.909 20 0 FCADRP C[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccnc2)(N2CCOCC2)CC1 ZINC000570037597 491211446 /nfs/dbraw/zinc/21/14/46/491211446.db2.gz CCVZSMGNFGQMJH-UHFFFAOYSA-N 2 0 361.490 0.796 20 0 FCADRP [NH3+]CCCn1cc(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)nn1 ZINC000563069189 491212247 /nfs/dbraw/zinc/21/22/47/491212247.db2.gz HXWCJVIRIKQSBX-KRWDZBQOSA-N 2 0 372.473 0.300 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000563074939 491213082 /nfs/dbraw/zinc/21/30/82/491213082.db2.gz VDRBYDACETUILE-OALUTQOASA-N 2 0 372.513 0.926 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000129466245 488631323 /nfs/dbraw/zinc/63/13/23/488631323.db2.gz RXYXSZYHJRLHHL-QGZVFWFLSA-N 2 0 360.506 0.927 20 0 FCADRP CN1CCN(CCOCCN2CCN(C)C(=O)C2(C)C)C(C)(C)C1=O ZINC000129868893 488634125 /nfs/dbraw/zinc/63/41/25/488634125.db2.gz TVUGZSUHVBGQKP-UHFFFAOYSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000273159376 488635314 /nfs/dbraw/zinc/63/53/14/488635314.db2.gz ZCQGUMLUUANGLO-VQIMIIECSA-N 2 0 361.486 0.838 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000133577309 488660680 /nfs/dbraw/zinc/66/06/80/488660680.db2.gz QIGUPVZPFHSPCZ-UHFFFAOYSA-N 2 0 372.473 0.761 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435532 488673538 /nfs/dbraw/zinc/67/35/38/488673538.db2.gz CNRSFIJKFXUNOL-ZWKOTPCHSA-N 2 0 373.501 0.900 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000140193445 488686233 /nfs/dbraw/zinc/68/62/33/488686233.db2.gz CSTHVIDHBCCLCX-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264583358 488687441 /nfs/dbraw/zinc/68/74/41/488687441.db2.gz KBYVQKOURBBXIG-QGZVFWFLSA-N 2 0 361.490 0.887 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000151208750 488703023 /nfs/dbraw/zinc/70/30/23/488703023.db2.gz OHHUKTUPMACPEA-IYBDPMFKSA-N 2 0 356.511 0.584 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000563086539 491214414 /nfs/dbraw/zinc/21/44/14/491214414.db2.gz MWJDATULCRQMRQ-KRWDZBQOSA-N 2 0 359.474 0.673 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000152965834 488724969 /nfs/dbraw/zinc/72/49/69/488724969.db2.gz PKJRXJZYMIKPIY-OAHLLOKOSA-N 2 0 364.494 0.764 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)c1 ZINC000153170817 488728138 /nfs/dbraw/zinc/72/81/38/488728138.db2.gz PSIVSMDDGKTYQF-FQEVSTJZSA-N 2 0 362.518 0.936 20 0 FCADRP NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000266930559 488745376 /nfs/dbraw/zinc/74/53/76/488745376.db2.gz MEEZAYLXHYZJOQ-GOSISDBHSA-N 2 0 358.486 0.918 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1=O ZINC000154646937 488745801 /nfs/dbraw/zinc/74/58/01/488745801.db2.gz DQBMBPFGPJVMMP-INIZCTEOSA-N 2 0 364.465 0.914 20 0 FCADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000155030990 488749701 /nfs/dbraw/zinc/74/97/01/488749701.db2.gz KJXYMWVDBSYKIR-HUUCEWRRSA-N 2 0 354.520 0.881 20 0 FCADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155123982 488751561 /nfs/dbraw/zinc/75/15/61/488751561.db2.gz GSAREUQZYLLBLL-GJZGRUSLSA-N 2 0 354.520 0.881 20 0 FCADRP C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CCSC1 ZINC000157863263 488774037 /nfs/dbraw/zinc/77/40/37/488774037.db2.gz DLKUFGJPNGSCDK-CABCVRRESA-N 2 0 354.520 0.189 20 0 FCADRP O=C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)NC1CC1 ZINC000159339621 488784560 /nfs/dbraw/zinc/78/45/60/488784560.db2.gz SASPJIUJPPPHJJ-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000277944374 488794224 /nfs/dbraw/zinc/79/42/24/488794224.db2.gz KMOSLGCZVDAVJT-KRWDZBQOSA-N 2 0 373.501 0.968 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000164917390 488810879 /nfs/dbraw/zinc/81/08/79/488810879.db2.gz KOXKWTWCXGUHGI-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000166186478 488811617 /nfs/dbraw/zinc/81/16/17/488811617.db2.gz HYQZFZCXVQAYBA-KRWDZBQOSA-N 2 0 360.458 0.829 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C[C@@H](C)O1 ZINC000171899899 488828144 /nfs/dbraw/zinc/82/81/44/488828144.db2.gz XKLUGTCSSXSPCL-HZPDHXFCSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000172809959 488838349 /nfs/dbraw/zinc/83/83/49/488838349.db2.gz YZDFTNUQENRBGT-IBGZPJMESA-N 2 0 373.545 0.951 20 0 FCADRP CN1Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2C1 ZINC000173230173 488841922 /nfs/dbraw/zinc/84/19/22/488841922.db2.gz SJOXYNBXULKZFT-HNNXBMFYSA-N 2 0 372.469 0.751 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000181057795 488863042 /nfs/dbraw/zinc/86/30/42/488863042.db2.gz SBNVPGNDIZMODJ-CABCVRRESA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000563221159 491228396 /nfs/dbraw/zinc/22/83/96/491228396.db2.gz ZQHYPAVBRGQYNF-SOLBZPMBSA-N 2 0 355.523 0.283 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184376 489047407 /nfs/dbraw/zinc/04/74/07/489047407.db2.gz NHXMXPLLHOUFJP-QZTJIDSGSA-N 2 0 366.506 0.603 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473340 489078899 /nfs/dbraw/zinc/07/88/99/489078899.db2.gz ZXTKVPYTVIIKRV-ZACQAIPSSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473330 489078988 /nfs/dbraw/zinc/07/89/88/489078988.db2.gz ZXTKVPYTVIIKRV-BRWVUGGUSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570308794 491232746 /nfs/dbraw/zinc/23/27/46/491232746.db2.gz DFFHKUPSISHTOD-KBPBESRZSA-N 2 0 363.437 0.842 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000290640314 489154982 /nfs/dbraw/zinc/15/49/82/489154982.db2.gz RDJOKJYRFLTNIE-QXAKKESOSA-N 2 0 374.485 0.761 20 0 FCADRP C[N@H+](C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778488 489164725 /nfs/dbraw/zinc/16/47/25/489164725.db2.gz MOPBBKYUYLAGPN-YLJYHZDGSA-N 2 0 372.469 0.638 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000366321195 489170645 /nfs/dbraw/zinc/17/06/45/489170645.db2.gz GQYJZDDPJYHIFU-KRWDZBQOSA-N 2 0 350.442 0.197 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000570390066 491237591 /nfs/dbraw/zinc/23/75/91/491237591.db2.gz HASGAIJZAGIQLE-ZCRFILTFSA-N 2 0 357.495 0.072 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]C1 ZINC000331371303 489202768 /nfs/dbraw/zinc/20/27/68/489202768.db2.gz AYNGQFHUGFZVRI-LJQANCHMSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000331385403 489204788 /nfs/dbraw/zinc/20/47/88/489204788.db2.gz KPDDSVVDSZAEND-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331386330 489204822 /nfs/dbraw/zinc/20/48/22/489204822.db2.gz IAFQLQAPBZAQHA-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000367571539 489207572 /nfs/dbraw/zinc/20/75/72/489207572.db2.gz BFNUGTVLZNDUBO-WMZOPIPTSA-N 2 0 352.523 0.770 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000367850047 489212447 /nfs/dbraw/zinc/21/24/47/489212447.db2.gz RFFYQQDKRONNBK-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332821982 489235681 /nfs/dbraw/zinc/23/56/81/489235681.db2.gz CMTUCRHRPQTNDY-NJAFHUGGSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1[NH+](C)C ZINC000332909697 489245247 /nfs/dbraw/zinc/24/52/47/489245247.db2.gz WLRSDDCDQTXTBV-DOTOQJQBSA-N 2 0 360.506 0.925 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[N@H+](C)C2CC2)[NH+](C)C)c1 ZINC000283378704 489251618 /nfs/dbraw/zinc/25/16/18/489251618.db2.gz IWFZAMVGDWTYEN-QGZVFWFLSA-N 2 0 362.474 0.625 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283407560 489255302 /nfs/dbraw/zinc/25/53/02/489255302.db2.gz KMUUGSUWEZGMFX-MSOLQXFVSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283407569 489255346 /nfs/dbraw/zinc/25/53/46/489255346.db2.gz KMUUGSUWEZGMFX-ZWKOTPCHSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)NCC[NH+](C)C ZINC000563402574 491242672 /nfs/dbraw/zinc/24/26/72/491242672.db2.gz BBUBLCWWWBFEKG-ZFWWWQNUSA-N 2 0 356.536 0.386 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820627 489279086 /nfs/dbraw/zinc/27/90/86/489279086.db2.gz CHSLUMQYJBPXJB-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369861578 489283606 /nfs/dbraw/zinc/28/36/06/489283606.db2.gz SBGRQLNPFSKSMZ-SQNIBIBYSA-N 2 0 367.538 0.422 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369864962 489284726 /nfs/dbraw/zinc/28/47/26/489284726.db2.gz ZWWPDGSBPNQXMZ-ULQDDVLXSA-N 2 0 354.495 0.602 20 0 FCADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)CC1 ZINC000369899724 489289266 /nfs/dbraw/zinc/28/92/66/489289266.db2.gz JONAZASCDDDBGM-QGZVFWFLSA-N 2 0 359.474 0.957 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000570520018 491247002 /nfs/dbraw/zinc/24/70/02/491247002.db2.gz QCQVELBMJNDIGJ-OAHLLOKOSA-N 2 0 354.524 0.975 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284269108 489308987 /nfs/dbraw/zinc/30/89/87/489308987.db2.gz WSUMQJGSEYDLLX-UHFFFAOYSA-N 2 0 364.490 0.449 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563448715 491247454 /nfs/dbraw/zinc/24/74/54/491247454.db2.gz LXYUZBNTFDTJFB-GOEBONIOSA-N 2 0 361.446 0.403 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370075991 489314024 /nfs/dbraw/zinc/31/40/24/489314024.db2.gz CWOKLWAJEMOTLA-FUHWJXTLSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285834347 489324948 /nfs/dbraw/zinc/32/49/48/489324948.db2.gz CACDPFFTLJTZFV-UHFFFAOYSA-N 2 0 373.545 0.905 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000285850340 489326393 /nfs/dbraw/zinc/32/63/93/489326393.db2.gz DOWDZDWYPCQEBP-UHFFFAOYSA-N 2 0 372.513 0.802 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000563455043 491248545 /nfs/dbraw/zinc/24/85/45/491248545.db2.gz RLHXFTABWCATPR-UHFFFAOYSA-N 2 0 364.490 0.831 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000563549564 491254531 /nfs/dbraw/zinc/25/45/31/491254531.db2.gz ZYZAUDPNIAEMDY-ARFHVFGLSA-N 2 0 351.495 0.450 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000563558359 491254643 /nfs/dbraw/zinc/25/46/43/491254643.db2.gz MVHDZWVLRQWVOP-LSDHHAIUSA-N 2 0 354.495 0.060 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000570618938 491253295 /nfs/dbraw/zinc/25/32/95/491253295.db2.gz HUJIUTVSXHXEDF-DLBZAZTESA-N 2 0 363.506 0.324 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000363066140 489418894 /nfs/dbraw/zinc/41/88/94/489418894.db2.gz LCMPEXWAPHTJHU-KRWDZBQOSA-N 2 0 365.522 0.319 20 0 FCADRP C[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000563601625 491257575 /nfs/dbraw/zinc/25/75/75/491257575.db2.gz MFBPHEVTYFHXDG-CRAIPNDOSA-N 2 0 351.495 0.230 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183136 489434872 /nfs/dbraw/zinc/43/48/72/489434872.db2.gz OHRZHFBACJNJLA-MSOLQXFVSA-N 2 0 366.506 0.603 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371025708 489439610 /nfs/dbraw/zinc/43/96/10/489439610.db2.gz BDPOXIFZMKRSBF-MSOLQXFVSA-N 2 0 365.522 0.273 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027458 489440734 /nfs/dbraw/zinc/44/07/34/489440734.db2.gz IKNZDUMNHCLSJA-ZWKOTPCHSA-N 2 0 367.538 0.376 20 0 FCADRP CC(=O)NCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299475888 489446011 /nfs/dbraw/zinc/44/60/11/489446011.db2.gz FPTQLNOXKLCTRY-UHFFFAOYSA-N 2 0 362.478 0.419 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697829 491258383 /nfs/dbraw/zinc/25/83/83/491258383.db2.gz BMOIJPFPMLDFSM-QZTJIDSGSA-N 2 0 371.485 0.736 20 0 FCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000371087984 489449768 /nfs/dbraw/zinc/44/97/68/489449768.db2.gz NHFOVKWLZQWTLI-INIZCTEOSA-N 2 0 370.457 0.686 20 0 FCADRP CCOC(=O)NCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299539712 489452969 /nfs/dbraw/zinc/45/29/69/489452969.db2.gz IWFZIFQDHSTIIP-UHFFFAOYSA-N 2 0 363.462 0.846 20 0 FCADRP COC(=O)CCNC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363359758 489457299 /nfs/dbraw/zinc/45/72/99/489457299.db2.gz YATMFBAELHBWBC-HOTGVXAUSA-N 2 0 369.506 0.877 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC[NH2+]CC1 ZINC000423097153 489492679 /nfs/dbraw/zinc/49/26/79/489492679.db2.gz IYMZTWPNWLCXFG-MRXNPFEDSA-N 3 0 354.539 0.923 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423128512 489495466 /nfs/dbraw/zinc/49/54/66/489495466.db2.gz KTGMFUJWTWQJGS-DLBZAZTESA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423160769 489498187 /nfs/dbraw/zinc/49/81/87/489498187.db2.gz HVGQMIDMYBMYST-MSOLQXFVSA-N 2 0 373.501 0.702 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000423173376 489499602 /nfs/dbraw/zinc/49/96/02/489499602.db2.gz YFTHOGDVEFCGCW-INIZCTEOSA-N 2 0 364.490 0.936 20 0 FCADRP COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000451332492 489499674 /nfs/dbraw/zinc/49/96/74/489499674.db2.gz HLBFUYDFNKLEAH-GOSISDBHSA-N 2 0 355.479 0.487 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)o1 ZINC000423171399 489499701 /nfs/dbraw/zinc/49/97/01/489499701.db2.gz OHHXNIPMGWKEGV-MRXNPFEDSA-N 2 0 366.462 0.054 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423200204 489501979 /nfs/dbraw/zinc/50/19/79/489501979.db2.gz DVSQXCQKLWFNRO-CQSZACIVSA-N 2 0 368.428 0.805 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423203448 489502282 /nfs/dbraw/zinc/50/22/82/489502282.db2.gz MSOXCFOUHUTTSV-GASCZTMLSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[C@@H](C)[NH2+]1 ZINC000423199226 489502344 /nfs/dbraw/zinc/50/23/44/489502344.db2.gz AWXPMKXBRONEHV-HUUCEWRRSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000423209619 489502543 /nfs/dbraw/zinc/50/25/43/489502543.db2.gz VIHSHPWRWZCPKJ-ARFHVFGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423210764 489502566 /nfs/dbraw/zinc/50/25/66/489502566.db2.gz XHTCJBRBXOQVHI-KRWDZBQOSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000423211337 489503353 /nfs/dbraw/zinc/50/33/53/489503353.db2.gz KYBBBKCOJDEJLZ-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423234828 489506654 /nfs/dbraw/zinc/50/66/54/489506654.db2.gz QMQGEQSVTIIBMC-IEBWSBKVSA-N 2 0 372.513 0.959 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423259038 489508679 /nfs/dbraw/zinc/50/86/79/489508679.db2.gz CZUYQBBUOYOMBC-HNNXBMFYSA-N 2 0 356.511 0.389 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423265441 489509048 /nfs/dbraw/zinc/50/90/48/489509048.db2.gz RAXQKRXSVODFEM-JKSUJKDBSA-N 2 0 356.511 0.247 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423272833 489509866 /nfs/dbraw/zinc/50/98/66/489509866.db2.gz ZNUMCGJSNKXGNR-CVEARBPZSA-N 2 0 356.511 0.389 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423301897 489513510 /nfs/dbraw/zinc/51/35/10/489513510.db2.gz INJGYABDUZKSPY-GMRIPVOYSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1CCCCC1 ZINC000415425282 489519929 /nfs/dbraw/zinc/51/99/29/489519929.db2.gz KLVVLGNJUDJKNK-HNNXBMFYSA-N 2 0 356.430 1.230 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000415428324 489520619 /nfs/dbraw/zinc/52/06/19/489520619.db2.gz GWVUTMMNPUAKAB-INIZCTEOSA-N 2 0 373.501 0.976 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c(OCC[NH+](C)C)c1 ZINC000415431655 489520642 /nfs/dbraw/zinc/52/06/42/489520642.db2.gz DTXRPZKPXLODOI-AWEZNQCLSA-N 2 0 350.463 0.973 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[C@@H]1[NH3+] ZINC000415468266 489523623 /nfs/dbraw/zinc/52/36/23/489523623.db2.gz VPEOCUMABSRDFC-YJBOKZPZSA-N 2 0 373.501 0.568 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451861397 489526719 /nfs/dbraw/zinc/52/67/19/489526719.db2.gz ADDNIYVOXAEUCF-LSDHHAIUSA-N 2 0 355.508 0.386 20 0 FCADRP CN1C(=O)CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000425838090 489532979 /nfs/dbraw/zinc/53/29/79/489532979.db2.gz DGVDEJROXMPPMR-AWEZNQCLSA-N 2 0 355.483 0.049 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000415595474 489533841 /nfs/dbraw/zinc/53/38/41/489533841.db2.gz HESCZNNEDSYIGP-KRWDZBQOSA-N 2 0 360.458 0.450 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000425873503 489536817 /nfs/dbraw/zinc/53/68/17/489536817.db2.gz QEQWOKYHBVHUQT-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415624127 489538145 /nfs/dbraw/zinc/53/81/45/489538145.db2.gz JMQRQOUTEHAXJE-QGZVFWFLSA-N 2 0 373.501 0.631 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415644548 489539419 /nfs/dbraw/zinc/53/94/19/489539419.db2.gz KYLDQFHBSPLYHW-AEFFLSMTSA-N 2 0 373.501 0.759 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000425881623 489539679 /nfs/dbraw/zinc/53/96/79/489539679.db2.gz CWBCTEKLLURZOQ-ZBFHGGJFSA-N 2 0 366.506 0.155 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000415657052 489540092 /nfs/dbraw/zinc/54/00/92/489540092.db2.gz MKYBBTDKLIYTSA-CQSZACIVSA-N 2 0 350.463 0.988 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415687496 489541676 /nfs/dbraw/zinc/54/16/76/489541676.db2.gz VVTPMERBKGISDC-YJBOKZPZSA-N 2 0 373.501 0.629 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1F ZINC000415698935 489541918 /nfs/dbraw/zinc/54/19/18/489541918.db2.gz ZNISBOHNLRUEOY-GOSISDBHSA-N 2 0 366.437 0.902 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415727631 489547128 /nfs/dbraw/zinc/54/71/28/489547128.db2.gz QTLRHAATIFFILC-QGZVFWFLSA-N 2 0 373.501 0.501 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000415733442 489548346 /nfs/dbraw/zinc/54/83/46/489548346.db2.gz XHFHRLOFVYAGQX-GOSISDBHSA-N 2 0 373.501 0.235 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415736844 489548710 /nfs/dbraw/zinc/54/87/10/489548710.db2.gz BWYQSGIUYTYGDL-CVEARBPZSA-N 2 0 374.485 0.942 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007258 489567531 /nfs/dbraw/zinc/56/75/31/489567531.db2.gz MLCFDHKYNLWMLL-VXGBXAGGSA-N 2 0 365.400 0.214 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2nccn2C)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000570786186 491264480 /nfs/dbraw/zinc/26/44/80/491264480.db2.gz SEVBCVUVTIWJOP-FMKPAKJESA-N 2 0 355.442 0.835 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455670087 489597999 /nfs/dbraw/zinc/59/79/99/489597999.db2.gz PVKFALQMWNPWQW-OAHLLOKOSA-N 2 0 352.483 0.923 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455672886 489598207 /nfs/dbraw/zinc/59/82/07/489598207.db2.gz WFGURQIRCIVWFL-OAHLLOKOSA-N 2 0 352.483 0.659 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000427298216 489601685 /nfs/dbraw/zinc/60/16/85/489601685.db2.gz AJHZICJXQCPMAK-HIFRSBDPSA-N 2 0 362.478 0.687 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(CC2CC2)CC1 ZINC000555686477 491265936 /nfs/dbraw/zinc/26/59/36/491265936.db2.gz HLSJPGICCBTVRW-LJQANCHMSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000416898790 489633001 /nfs/dbraw/zinc/63/30/01/489633001.db2.gz ZGWVGSZNZSXQEW-AEFFLSMTSA-N 2 0 365.522 0.808 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000416950420 489635384 /nfs/dbraw/zinc/63/53/84/489635384.db2.gz RDSJZGYYXGCZJY-BBWFWOEESA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242118 489645644 /nfs/dbraw/zinc/64/56/44/489645644.db2.gz SYCXIXJSOMIJHP-JKSUJKDBSA-N 2 0 367.538 0.993 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236362 489645656 /nfs/dbraw/zinc/64/56/56/489645656.db2.gz FIJQYPATORBJPZ-KBPBESRZSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417252265 489645683 /nfs/dbraw/zinc/64/56/83/489645683.db2.gz JIAOIXBCAVKLIR-YYIAUSFCSA-N 2 0 367.538 0.849 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417323625 489649053 /nfs/dbraw/zinc/64/90/53/489649053.db2.gz HAADHLVSWBRHOX-PMPSAXMXSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CCCO)C[C@H](C)O1 ZINC000457570693 489650135 /nfs/dbraw/zinc/65/01/35/489650135.db2.gz HMVLLZRIKJAVOZ-IXDOHACOSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428513991 489651298 /nfs/dbraw/zinc/65/12/98/489651298.db2.gz ZUXAYWIAXHYCNO-BETUJISGSA-N 2 0 354.476 0.735 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417430768 489652753 /nfs/dbraw/zinc/65/27/53/489652753.db2.gz PVWJQFDIGCZKGY-XHSDSOJGSA-N 2 0 353.511 0.840 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417432786 489652849 /nfs/dbraw/zinc/65/28/49/489652849.db2.gz UBDVAORIXLSELH-HNNXBMFYSA-N 2 0 353.511 0.890 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448769 489655009 /nfs/dbraw/zinc/65/50/09/489655009.db2.gz WIIQRVDDTAMMFW-QWHCGFSZSA-N 2 0 353.433 0.852 20 0 FCADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000417521111 489656936 /nfs/dbraw/zinc/65/69/36/489656936.db2.gz YOIWRZAVGTWHPK-MRXNPFEDSA-N 2 0 361.494 0.382 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511056 489656996 /nfs/dbraw/zinc/65/69/96/489656996.db2.gz YCZSIBRFKWKZQV-OALUTQOASA-N 2 0 359.518 0.754 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000417519128 489657045 /nfs/dbraw/zinc/65/70/45/489657045.db2.gz ULFMMZNJRTUYKH-FGTMMUONSA-N 2 0 364.490 0.576 20 0 FCADRP C[N@H+](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000417510070 489657078 /nfs/dbraw/zinc/65/70/78/489657078.db2.gz SNCXJCDYMSWDJQ-CQSZACIVSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417542277 489657560 /nfs/dbraw/zinc/65/75/60/489657560.db2.gz DKZDHGWKTOXAFR-RHSMWYFYSA-N 2 0 361.490 0.920 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417542276 489657571 /nfs/dbraw/zinc/65/75/71/489657571.db2.gz DKZDHGWKTOXAFR-PBHICJAKSA-N 2 0 361.490 0.920 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000417548589 489658227 /nfs/dbraw/zinc/65/82/27/489658227.db2.gz QZMQPMOUGSOVFT-MSOLQXFVSA-N 2 0 373.501 0.887 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620619 489660469 /nfs/dbraw/zinc/66/04/69/489660469.db2.gz DHSDBSQZVZSYFN-ZBFHGGJFSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417845376 489668143 /nfs/dbraw/zinc/66/81/43/489668143.db2.gz OXIRGLQUWMVIKN-HNNXBMFYSA-N 2 0 355.527 0.896 20 0 FCADRP CN(C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC([NH3+])C1 ZINC000417856824 489668719 /nfs/dbraw/zinc/66/87/19/489668719.db2.gz WODPIOGWKRZCSZ-UHFFFAOYSA-N 2 0 353.511 0.744 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417864016 489669119 /nfs/dbraw/zinc/66/91/19/489669119.db2.gz AWQRFEUMTISDOG-VNQPRFMTSA-N 2 0 351.495 0.498 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373110424 489669758 /nfs/dbraw/zinc/66/97/58/489669758.db2.gz NXHYXSSWOYQGMZ-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[N@@H+]1C ZINC000418001085 489674706 /nfs/dbraw/zinc/67/47/06/489674706.db2.gz KHLSDOXAAXMHLU-VQHPVUNQSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418039560 489676720 /nfs/dbraw/zinc/67/67/20/489676720.db2.gz IFQCRVUVGALXNS-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP COCC1(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000418120227 489679372 /nfs/dbraw/zinc/67/93/72/489679372.db2.gz VSKBXXJMVXEPSS-INIZCTEOSA-N 2 0 356.511 0.803 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000555756389 491270787 /nfs/dbraw/zinc/27/07/87/491270787.db2.gz FUTBXOIIYWJWLH-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823304 491271271 /nfs/dbraw/zinc/27/12/71/491271271.db2.gz YOLVFAWBMSXNQS-XJNFMUPTSA-N 2 0 363.506 0.593 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000570880000 491271374 /nfs/dbraw/zinc/27/13/74/491271374.db2.gz VZXZQEJFHMVKFT-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418355632 489693506 /nfs/dbraw/zinc/69/35/06/489693506.db2.gz WYRHDXXKQAAMAO-CHWSQXEVSA-N 2 0 351.417 0.511 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000418372247 489694234 /nfs/dbraw/zinc/69/42/34/489694234.db2.gz YKTRTJJWSGSGDP-QGZVFWFLSA-N 2 0 365.522 0.844 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418377659 489695027 /nfs/dbraw/zinc/69/50/27/489695027.db2.gz HJHSJIBATLWJSW-SJORKVTESA-N 2 0 361.490 0.327 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418434277 489698359 /nfs/dbraw/zinc/69/83/59/489698359.db2.gz FIMLBIGEZOMZAW-HNNXBMFYSA-N 2 0 369.510 0.078 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000458798628 489703123 /nfs/dbraw/zinc/70/31/23/489703123.db2.gz ZDDJSSWKNIXHIX-MRXNPFEDSA-N 2 0 356.511 0.896 20 0 FCADRP CN(C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418572206 489708012 /nfs/dbraw/zinc/70/80/12/489708012.db2.gz SJCFBFBPSIWCCJ-MEYUZBJRSA-N 2 0 354.401 0.384 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418620042 489710991 /nfs/dbraw/zinc/71/09/91/489710991.db2.gz QESDHAIVLJCMID-CQSZACIVSA-N 2 0 365.444 0.950 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418624951 489712912 /nfs/dbraw/zinc/71/29/12/489712912.db2.gz ZZKYDUNCGNXCPQ-IHRRRGAJSA-N 2 0 365.444 0.887 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCSC1 ZINC000489496023 489714067 /nfs/dbraw/zinc/71/40/67/489714067.db2.gz KNJIMRSUHDXVMO-NVXWUHKLSA-N 2 0 356.536 0.787 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418642702 489714695 /nfs/dbraw/zinc/71/46/95/489714695.db2.gz RWNXDUZPPCOMNQ-UHFFFAOYSA-N 2 0 369.554 0.718 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000555730134 491268215 /nfs/dbraw/zinc/26/82/15/491268215.db2.gz KYSOSDJYAWEQFB-IAGOWNOFSA-N 2 0 368.522 0.260 20 0 FCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418651155 489715515 /nfs/dbraw/zinc/71/55/15/489715515.db2.gz LDBMIXVWAIJCEY-WBVHZDCISA-N 2 0 361.490 0.745 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC[NH2+]1 ZINC000418655160 489716283 /nfs/dbraw/zinc/71/62/83/489716283.db2.gz NCPGVNKWOUZSDB-SFHVURJKSA-N 2 0 356.511 0.897 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418752635 489721977 /nfs/dbraw/zinc/72/19/77/489721977.db2.gz BYUHFKJHFDHHTN-KRWDZBQOSA-N 2 0 351.470 0.803 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000563890895 491275607 /nfs/dbraw/zinc/27/56/07/491275607.db2.gz UNWRTXAJRWFJHQ-QZWWFDLISA-N 2 0 358.490 0.573 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829953 489743037 /nfs/dbraw/zinc/74/30/37/489743037.db2.gz FHOJWAOTRTXBAH-XLIONFOSSA-N 2 0 360.502 0.781 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000418832066 489744754 /nfs/dbraw/zinc/74/47/54/489744754.db2.gz YRPFQKAJBUKMEN-XLIONFOSSA-N 2 0 358.486 0.926 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000418832065 489744936 /nfs/dbraw/zinc/74/49/36/489744936.db2.gz YRPFQKAJBUKMEN-PXNSSMCTSA-N 2 0 358.486 0.926 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418835894 489746396 /nfs/dbraw/zinc/74/63/96/489746396.db2.gz QFDWTWGOKFQWTO-JSGCOSHPSA-N 2 0 366.462 0.228 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000418834864 489746943 /nfs/dbraw/zinc/74/69/43/489746943.db2.gz YJIJOFMMOMMVHH-XHSDSOJGSA-N 2 0 350.507 0.810 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)[NH+](C)C)c1 ZINC000418839120 489748890 /nfs/dbraw/zinc/74/88/90/489748890.db2.gz DBNLUMGQOIFGOZ-CPUCHLNUSA-N 2 0 362.474 0.623 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418839003 489749008 /nfs/dbraw/zinc/74/90/08/489749008.db2.gz WHVICNHRZFUZPG-AWEZNQCLSA-N 2 0 366.462 0.101 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(OCCC[NH3+])CC2)C1 ZINC000430589007 489749747 /nfs/dbraw/zinc/74/97/47/489749747.db2.gz GSTDGFQQVWQRGB-GOSISDBHSA-N 2 0 370.538 0.289 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC000418839694 489749808 /nfs/dbraw/zinc/74/98/08/489749808.db2.gz DJJZXWXXFDLKLL-CVEARBPZSA-N 2 0 350.463 0.514 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC000418839699 489749965 /nfs/dbraw/zinc/74/99/65/489749965.db2.gz DJJZXWXXFDLKLL-JKSUJKDBSA-N 2 0 350.463 0.514 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000418839644 489750198 /nfs/dbraw/zinc/75/01/98/489750198.db2.gz DGXFGKGZAZNECT-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418841048 489751341 /nfs/dbraw/zinc/75/13/41/489751341.db2.gz GFGPOLWXMWTVSZ-UONOGXRCSA-N 2 0 366.487 0.106 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000430614498 489753115 /nfs/dbraw/zinc/75/31/15/489753115.db2.gz YTULOTDJJWVPLN-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611590 489753220 /nfs/dbraw/zinc/75/32/20/489753220.db2.gz ORIQBFJAIGPHCK-GDBMZVCRSA-N 2 0 362.474 0.487 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000418850192 489755122 /nfs/dbraw/zinc/75/51/22/489755122.db2.gz DWHZMHQEHJPAMQ-MAUKXSAKSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418849804 489755770 /nfs/dbraw/zinc/75/57/70/489755770.db2.gz NIABKJPZVOACHG-MRXNPFEDSA-N 2 0 362.474 0.626 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633760 489759029 /nfs/dbraw/zinc/75/90/29/489759029.db2.gz QDFBQRFBOIFQAP-HOCLYGCPSA-N 2 0 364.465 0.660 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633755 489759264 /nfs/dbraw/zinc/75/92/64/489759264.db2.gz QDFBQRFBOIFQAP-GDBMZVCRSA-N 2 0 364.465 0.660 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418857389 489760542 /nfs/dbraw/zinc/76/05/42/489760542.db2.gz ZAVMVOHFBOJWJT-OIISXLGYSA-N 2 0 374.485 0.754 20 0 FCADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646606 489761472 /nfs/dbraw/zinc/76/14/72/489761472.db2.gz WRRVHUSWAGJSAE-CVEARBPZSA-N 2 0 374.489 0.059 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418863220 489763426 /nfs/dbraw/zinc/76/34/26/489763426.db2.gz PCJMFUXRKIFFFR-FCGDIQPGSA-N 2 0 370.497 0.881 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1)N1CC[NH2+]CC1 ZINC000430656713 489763507 /nfs/dbraw/zinc/76/35/07/489763507.db2.gz ULMLLXDCWVGXOX-CYBMUJFWSA-N 2 0 361.471 0.400 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418864961 489764892 /nfs/dbraw/zinc/76/48/92/489764892.db2.gz RGHNLYPNWUIDDF-KBPBESRZSA-N 2 0 350.488 0.869 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000418865646 489764913 /nfs/dbraw/zinc/76/49/13/489764913.db2.gz SAQJRRYWXPTYNK-CZUORRHYSA-N 2 0 350.463 0.528 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418865334 489765207 /nfs/dbraw/zinc/76/52/07/489765207.db2.gz RKLGGUKUUVFWHH-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418866227 489765228 /nfs/dbraw/zinc/76/52/28/489765228.db2.gz SJTJBESHVAFFCW-QGZVFWFLSA-N 2 0 360.458 0.450 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)c1 ZINC000418867989 489766031 /nfs/dbraw/zinc/76/60/31/489766031.db2.gz VLWAVGFKDZJLLX-PVAVHDDUSA-N 2 0 360.458 0.234 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[NH+](C)C)c1 ZINC000418868378 489767219 /nfs/dbraw/zinc/76/72/19/489767219.db2.gz VXGUTCLNALMQKL-WBVHZDCISA-N 2 0 362.474 0.672 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418871604 489767706 /nfs/dbraw/zinc/76/77/06/489767706.db2.gz FEPRGHLVCOBVRV-WMZOPIPTSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870616 489767737 /nfs/dbraw/zinc/76/77/37/489767737.db2.gz YKRKWHVODRSYTJ-BHYGNILZSA-N 2 0 374.485 0.606 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000418875039 489769759 /nfs/dbraw/zinc/76/97/59/489769759.db2.gz CLGOKYFARRKBAG-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418875544 489770148 /nfs/dbraw/zinc/77/01/48/489770148.db2.gz KORLLWNNMLGULO-QGZVFWFLSA-N 2 0 362.474 0.674 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000418877691 489770950 /nfs/dbraw/zinc/77/09/50/489770950.db2.gz PNGHITVXMLLSGT-DLBZAZTESA-N 2 0 362.449 0.679 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000418880259 489771899 /nfs/dbraw/zinc/77/18/99/489771899.db2.gz PCACPMVKMYCAHS-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418879353 489772633 /nfs/dbraw/zinc/77/26/33/489772633.db2.gz SPBVVYFHDBMWJT-OLMNPRSZSA-N 2 0 374.485 0.754 20 0 FCADRP O=C(CNC(=O)NCCC[NH+]1CCCC1)NCC[NH+]1CCCCCC1 ZINC000430918756 489777774 /nfs/dbraw/zinc/77/77/74/489777774.db2.gz IPLOAVHPKSDZDN-UHFFFAOYSA-N 2 0 353.511 0.764 20 0 FCADRP C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430932013 489778940 /nfs/dbraw/zinc/77/89/40/489778940.db2.gz DCPQUYLLAPBQBG-CJNGLKHVSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000430941204 489779553 /nfs/dbraw/zinc/77/95/53/489779553.db2.gz UXKNWZFXGLLFNF-IRXDYDNUSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000430949460 489780638 /nfs/dbraw/zinc/78/06/38/489780638.db2.gz NPTSVBIKGJCSLV-GFCCVEGCSA-N 2 0 366.487 0.282 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000418900499 489782010 /nfs/dbraw/zinc/78/20/10/489782010.db2.gz DCIFSEBLBKCJDT-BSDSXHPESA-N 2 0 374.485 0.513 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000418900496 489782586 /nfs/dbraw/zinc/78/25/86/489782586.db2.gz DCIFSEBLBKCJDT-BRSBDYLESA-N 2 0 374.485 0.513 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3(OC)CC[NH2+]CC3)cn2)CC1 ZINC000431009992 489784630 /nfs/dbraw/zinc/78/46/30/489784630.db2.gz LZHSWNBEWWLNPL-UHFFFAOYSA-N 2 0 361.490 0.608 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431009528 489784686 /nfs/dbraw/zinc/78/46/86/489784686.db2.gz YVRKLWVJXMZBJV-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000459900983 489785605 /nfs/dbraw/zinc/78/56/05/489785605.db2.gz SWFLJTORALOAQY-SFHVURJKSA-N 2 0 360.502 0.936 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000474804210 489786241 /nfs/dbraw/zinc/78/62/41/489786241.db2.gz MCWKBLGASAWONM-UHFFFAOYSA-N 2 0 353.555 0.546 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000418911906 489787168 /nfs/dbraw/zinc/78/71/68/489787168.db2.gz CNXRXLWZDGWXPQ-KRWDZBQOSA-N 2 0 368.522 0.308 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000459916800 489791065 /nfs/dbraw/zinc/79/10/65/489791065.db2.gz ITIHJYZHGYJCMG-IXDOHACOSA-N 2 0 368.522 0.497 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418921424 489792228 /nfs/dbraw/zinc/79/22/28/489792228.db2.gz JJSZWMLKHBWLPY-NNFUDEMPSA-N 2 0 368.522 0.578 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000459922081 489795388 /nfs/dbraw/zinc/79/53/88/489795388.db2.gz PWOYCLNENCDNDX-KRWDZBQOSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418937178 489795911 /nfs/dbraw/zinc/79/59/11/489795911.db2.gz FRFCJBMAUJOMJY-HOCLYGCPSA-N 2 0 362.474 0.464 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418937179 489796156 /nfs/dbraw/zinc/79/61/56/489796156.db2.gz FRFCJBMAUJOMJY-ZBFHGGJFSA-N 2 0 362.474 0.464 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccco1 ZINC000418937198 489796511 /nfs/dbraw/zinc/79/65/11/489796511.db2.gz FTKDFRUESWCTMR-OAHLLOKOSA-N 2 0 350.463 0.976 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)c1ccco1 ZINC000418947593 489800547 /nfs/dbraw/zinc/80/05/47/489800547.db2.gz SOBLCZPTJKOUGK-CABCVRRESA-N 2 0 350.463 0.847 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1ccco1 ZINC000418952935 489802495 /nfs/dbraw/zinc/80/24/95/489802495.db2.gz ZBOZOLMVQIYFSS-LSDHHAIUSA-N 2 0 350.463 0.989 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418952946 489802884 /nfs/dbraw/zinc/80/28/84/489802884.db2.gz ZBWUFHBULBTOEV-OKZBNKHCSA-N 2 0 358.486 0.820 20 0 FCADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563957784 491279693 /nfs/dbraw/zinc/27/96/93/491279693.db2.gz SUYDDKODDMDOML-SQNIBIBYSA-N 2 0 369.531 0.711 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418961353 489805432 /nfs/dbraw/zinc/80/54/32/489805432.db2.gz JUPMDDSPMXSJLK-KRWDZBQOSA-N 2 0 374.485 0.585 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418988002 489811399 /nfs/dbraw/zinc/81/13/99/489811399.db2.gz RAWLNEUTCNWOFI-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419003969 489814450 /nfs/dbraw/zinc/81/44/50/489814450.db2.gz DSYRFLMLGPBNIJ-HDICACEKSA-N 2 0 358.486 0.822 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCn2c(C)nc3ccccc32)C1 ZINC000419006406 489814850 /nfs/dbraw/zinc/81/48/50/489814850.db2.gz WGEPXENOYMTAFG-HNNXBMFYSA-N 2 0 357.458 0.919 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000460018694 489819930 /nfs/dbraw/zinc/81/99/30/489819930.db2.gz OULLYXYZTNBJEE-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419019383 489820508 /nfs/dbraw/zinc/82/05/08/489820508.db2.gz DIRBYJVLAISCSI-BARDWOONSA-N 2 0 354.495 0.452 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419021714 489821966 /nfs/dbraw/zinc/82/19/66/489821966.db2.gz UDKBCPXRDUKHLJ-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419029835 489825230 /nfs/dbraw/zinc/82/52/30/489825230.db2.gz SKYJCDKWFGRKCD-OAGGEKHMSA-N 2 0 368.522 0.435 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419031010 489825774 /nfs/dbraw/zinc/82/57/74/489825774.db2.gz IIGHHEKMTDXPHU-UHFFFAOYSA-N 2 0 356.536 0.532 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000419032275 489826846 /nfs/dbraw/zinc/82/68/46/489826846.db2.gz AVWUEUSBCUQOEL-NXOAAHMSSA-N 2 0 368.522 0.626 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@H](C)C1 ZINC000419035980 489828714 /nfs/dbraw/zinc/82/87/14/489828714.db2.gz FWIDTGMRYJQPTB-NCOADZHNSA-N 2 0 368.522 0.435 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419037525 489829055 /nfs/dbraw/zinc/82/90/55/489829055.db2.gz DCEMTFZFIPPXLN-WBVHZDCISA-N 2 0 368.522 0.626 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000419040143 489830566 /nfs/dbraw/zinc/83/05/66/489830566.db2.gz MDHSTXUGNMSKEK-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CCC[NH2+]C1 ZINC000419042015 489830908 /nfs/dbraw/zinc/83/09/08/489830908.db2.gz OROLAQLYUNCZRP-IBGZPJMESA-N 2 0 355.442 0.994 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431869 489841543 /nfs/dbraw/zinc/84/15/43/489841543.db2.gz FHHAYESQAFRTDN-SJORKVTESA-N 2 0 365.522 0.905 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419068702 489843461 /nfs/dbraw/zinc/84/34/61/489843461.db2.gz IFSGFRMUZMGFEA-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419069909 489844646 /nfs/dbraw/zinc/84/46/46/489844646.db2.gz JLSUEVLCSYZNJY-SFHVURJKSA-N 2 0 374.485 0.119 20 0 FCADRP CCN1CCO[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367218 489845303 /nfs/dbraw/zinc/84/53/03/489845303.db2.gz FJZFTFGLNXFWJX-GOSISDBHSA-N 2 0 361.490 0.431 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432538643 489845813 /nfs/dbraw/zinc/84/58/13/489845813.db2.gz OKKJKCMDLNYBKW-ZWKOTPCHSA-N 2 0 352.523 0.364 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077570 489846938 /nfs/dbraw/zinc/84/69/38/489846938.db2.gz RKODJQKNVAVGPL-RHSMWYFYSA-N 2 0 360.458 0.083 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000460084190 489847175 /nfs/dbraw/zinc/84/71/75/489847175.db2.gz UENKCJOGAZCAFA-IRXDYDNUSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460082167 489847742 /nfs/dbraw/zinc/84/77/42/489847742.db2.gz ZVAOGUJHVSSPNQ-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419099054 489854706 /nfs/dbraw/zinc/85/47/06/489854706.db2.gz DIARLZYSYWMICI-QGZVFWFLSA-N 2 0 374.485 0.380 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000419106456 489857260 /nfs/dbraw/zinc/85/72/60/489857260.db2.gz JTYOMVWHBHYCIW-KBPBESRZSA-N 2 0 372.391 0.902 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000419109230 489857382 /nfs/dbraw/zinc/85/73/82/489857382.db2.gz MOEKZPHSOYFCFB-XJKSGUPXSA-N 2 0 364.465 0.947 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433136811 489867505 /nfs/dbraw/zinc/86/75/05/489867505.db2.gz NBHOLVVNXZHKSO-MRXNPFEDSA-N 3 0 354.539 0.741 20 0 FCADRP CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146063 489868793 /nfs/dbraw/zinc/86/87/93/489868793.db2.gz KBSPFDWKQQLMQX-HIFRSBDPSA-N 2 0 360.524 0.024 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433162945 489869430 /nfs/dbraw/zinc/86/94/30/489869430.db2.gz WCYKVYSMLGDDFV-UHFFFAOYSA-N 3 0 353.555 0.724 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419990663 489874607 /nfs/dbraw/zinc/87/46/07/489874607.db2.gz JZNMAPVORQTHBT-OAHLLOKOSA-N 2 0 354.495 0.191 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000419999896 489877662 /nfs/dbraw/zinc/87/76/62/489877662.db2.gz NLZNIENUIPEIDD-CGZBRXJRSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420003429 489878115 /nfs/dbraw/zinc/87/81/15/489878115.db2.gz UZMVFPMCXIKAHK-QGZVFWFLSA-N 2 0 368.522 0.437 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433396315 489881100 /nfs/dbraw/zinc/88/11/00/489881100.db2.gz VYYBNVOTBDAKFW-OAHLLOKOSA-N 2 0 362.478 0.577 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420017973 489882193 /nfs/dbraw/zinc/88/21/93/489882193.db2.gz PHLPNJBARZXJLK-KRWDZBQOSA-N 2 0 367.538 0.103 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000433460838 489886392 /nfs/dbraw/zinc/88/63/92/489886392.db2.gz RUPGORKCJQKMCR-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461230 489886984 /nfs/dbraw/zinc/88/69/84/489886984.db2.gz DHPKXOKOAWMERS-JKSUJKDBSA-N 2 0 369.510 0.126 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420035329 489888033 /nfs/dbraw/zinc/88/80/33/489888033.db2.gz JZONAYJMSQKREO-CABCVRRESA-N 2 0 356.511 0.796 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433467059 489888233 /nfs/dbraw/zinc/88/82/33/489888233.db2.gz PHWPKZLTOREUFO-ZWKOTPCHSA-N 2 0 370.538 0.879 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420037660 489889014 /nfs/dbraw/zinc/88/90/14/489889014.db2.gz UWIWTODHBUJLQU-AEFFLSMTSA-N 2 0 358.486 0.820 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000433477794 489889120 /nfs/dbraw/zinc/88/91/20/489889120.db2.gz OACDKEUEPVFDQD-UHFFFAOYSA-N 2 0 355.527 0.234 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420051013 489893996 /nfs/dbraw/zinc/89/39/96/489893996.db2.gz ZQLYRCURYDNLJA-HRCADAONSA-N 2 0 366.506 0.693 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433925901 489904519 /nfs/dbraw/zinc/90/45/19/489904519.db2.gz XCHOGXDGURPJEP-HZPDHXFCSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000420076099 489904609 /nfs/dbraw/zinc/90/46/09/489904609.db2.gz LJCCSAJPMMDDKW-ZIAGYGMSSA-N 2 0 354.495 0.188 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCCC1 ZINC000420082842 489906604 /nfs/dbraw/zinc/90/66/04/489906604.db2.gz JZUUGTNBYIUXLN-QGZVFWFLSA-N 2 0 366.506 0.191 20 0 FCADRP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000564064104 491286353 /nfs/dbraw/zinc/28/63/53/491286353.db2.gz HTVGNKGIULUYEU-CQSZACIVSA-N 2 0 370.379 0.970 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095685 489909971 /nfs/dbraw/zinc/90/99/71/489909971.db2.gz SVIPDQVOLBXUFW-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP CN(CCC[N@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377489216 489910497 /nfs/dbraw/zinc/91/04/97/489910497.db2.gz DBBCDGGNOPGSJW-INIZCTEOSA-N 2 0 350.511 0.731 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420112623 489916461 /nfs/dbraw/zinc/91/64/61/489916461.db2.gz XQBQFRXIXQZWOF-RVKKMQEKSA-N 2 0 354.495 0.108 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000564072657 491287023 /nfs/dbraw/zinc/28/70/23/491287023.db2.gz GWPLSYPRBPNUGL-INIZCTEOSA-N 2 0 364.494 0.067 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]1 ZINC000420130424 489923589 /nfs/dbraw/zinc/92/35/89/489923589.db2.gz RHGHAPHKFCLBKA-DAXOMENPSA-N 2 0 350.438 0.801 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]1 ZINC000420130426 489923916 /nfs/dbraw/zinc/92/39/16/489923916.db2.gz RHGHAPHKFCLBKA-KCXAZCMYSA-N 2 0 350.438 0.801 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134706 489924594 /nfs/dbraw/zinc/92/45/94/489924594.db2.gz UXXJJHCBTYJMDN-ZIAGYGMSSA-N 2 0 352.504 0.895 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000420136786 489925705 /nfs/dbraw/zinc/92/57/05/489925705.db2.gz JUZSVSIZUIPEHY-UHFFFAOYSA-N 2 0 358.486 0.921 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000477027090 489932543 /nfs/dbraw/zinc/93/25/43/489932543.db2.gz JJAVDPNSQVLCCK-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420152574 489933017 /nfs/dbraw/zinc/93/30/17/489933017.db2.gz AGEFIWDKOJWNJA-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477031048 489933723 /nfs/dbraw/zinc/93/37/23/489933723.db2.gz XAVZKTXOHPRYGE-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420163944 489937116 /nfs/dbraw/zinc/93/71/16/489937116.db2.gz LLHFZZBKNUQNNH-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000477087322 489940699 /nfs/dbraw/zinc/94/06/99/489940699.db2.gz WJHGUKDQGZFHAE-SJORKVTESA-N 2 0 369.554 0.221 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000477084724 489940885 /nfs/dbraw/zinc/94/08/85/489940885.db2.gz RFTTWUBJXRZVMG-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000477104199 489943510 /nfs/dbraw/zinc/94/35/10/489943510.db2.gz YSTCKDUKMGGBPJ-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000477104196 489943645 /nfs/dbraw/zinc/94/36/45/489943645.db2.gz YSTCKDUKMGGBPJ-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000420185039 489944261 /nfs/dbraw/zinc/94/42/61/489944261.db2.gz JFVRGBNZHAMRIW-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000420183576 489944535 /nfs/dbraw/zinc/94/45/35/489944535.db2.gz HNFBENCQIGTRHY-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000420185041 489944588 /nfs/dbraw/zinc/94/45/88/489944588.db2.gz JFVRGBNZHAMRIW-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189291 489945946 /nfs/dbraw/zinc/94/59/46/489945946.db2.gz DIHUKVWIWDXQBC-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202621 489950157 /nfs/dbraw/zinc/95/01/57/489950157.db2.gz JOFMVEJWROTNFE-QGZVFWFLSA-N 2 0 374.485 0.079 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)C1 ZINC000420203489 489950861 /nfs/dbraw/zinc/95/08/61/489950861.db2.gz OJIHJCUERBSNBS-GJZGRUSLSA-N 2 0 364.515 0.678 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420207331 489953247 /nfs/dbraw/zinc/95/32/47/489953247.db2.gz QKMVYAILXWGAHU-MRXNPFEDSA-N 2 0 374.485 0.343 20 0 FCADRP COC(=O)c1cccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000420305353 489961865 /nfs/dbraw/zinc/96/18/65/489961865.db2.gz YVZYHHSCSWWISB-AWEZNQCLSA-N 2 0 362.430 0.199 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327218 489963677 /nfs/dbraw/zinc/96/36/77/489963677.db2.gz LBCTZTXXCPPLML-SJORKVTESA-N 2 0 358.490 0.447 20 0 FCADRP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333731 489963825 /nfs/dbraw/zinc/96/38/25/489963825.db2.gz SVEKELWCHJRXOG-STQMWFEESA-N 2 0 363.462 0.445 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1ccc(Cl)cc1 ZINC000420348829 489965210 /nfs/dbraw/zinc/96/52/10/489965210.db2.gz MYXFMWBBJGGIAS-QGZVFWFLSA-N 2 0 350.894 0.978 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345297 489965605 /nfs/dbraw/zinc/96/56/05/489965605.db2.gz ALOYISKPPJQQCR-OALUTQOASA-N 2 0 359.518 0.385 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000420411865 489973274 /nfs/dbraw/zinc/97/32/74/489973274.db2.gz COOFJMGTNQDWEO-HNNXBMFYSA-N 2 0 357.524 0.730 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000477612183 489976262 /nfs/dbraw/zinc/97/62/62/489976262.db2.gz DMUBJCJMNISLDB-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000477617698 489977678 /nfs/dbraw/zinc/97/76/78/489977678.db2.gz SMSPAQQEZGWRMI-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420447385 489978292 /nfs/dbraw/zinc/97/82/92/489978292.db2.gz IUHBFVQNECFBFJ-SWLSCSKDSA-N 2 0 357.524 0.809 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639116 489980283 /nfs/dbraw/zinc/98/02/83/489980283.db2.gz DRRGFQZJGKTRSW-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000477647865 489981703 /nfs/dbraw/zinc/98/17/03/489981703.db2.gz SVCSJPOKMLVCNH-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](C[NH3+])C1 ZINC000478265231 490012896 /nfs/dbraw/zinc/01/28/96/490012896.db2.gz FVVGRCGYBFOVOS-APWZRJJASA-N 2 0 360.502 0.815 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044539 490050708 /nfs/dbraw/zinc/05/07/08/490050708.db2.gz XDNOGJCBYSBFOZ-DZGCQCFKSA-N 2 0 356.430 1.004 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000479078592 490065266 /nfs/dbraw/zinc/06/52/66/490065266.db2.gz JZHMVNIIHKKSEB-HNNXBMFYSA-N 2 0 352.483 0.585 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000564290481 491298313 /nfs/dbraw/zinc/29/83/13/491298313.db2.gz JAEAKSJAHXPTPJ-OAGGEKHMSA-N 2 0 366.506 0.012 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000495659702 490086780 /nfs/dbraw/zinc/08/67/80/490086780.db2.gz YBANWJKFGLQWOK-KRWDZBQOSA-N 2 0 362.449 0.680 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000564290479 491298210 /nfs/dbraw/zinc/29/82/10/491298210.db2.gz JAEAKSJAHXPTPJ-ARFHVFGLSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCSC1 ZINC000421727586 490101902 /nfs/dbraw/zinc/10/19/02/490101902.db2.gz YNWHEEINXSHATF-QGZVFWFLSA-N 2 0 356.536 0.531 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000421792062 490105850 /nfs/dbraw/zinc/10/58/50/490105850.db2.gz MKQLQKQZBZQNJM-KRWDZBQOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1C1CC1 ZINC000571324420 491300834 /nfs/dbraw/zinc/30/08/34/491300834.db2.gz XBIWMWIBGLRNKR-DJIMGWMZSA-N 2 0 362.518 0.918 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000382757725 490129249 /nfs/dbraw/zinc/12/92/49/490129249.db2.gz RIIHQALKVLEHSB-GOSISDBHSA-N 2 0 358.486 0.789 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000520371311 490139152 /nfs/dbraw/zinc/13/91/52/490139152.db2.gz RPGSWHIQLIGJNY-UHFFFAOYSA-N 2 0 359.478 0.882 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000391647361 490142613 /nfs/dbraw/zinc/14/26/13/490142613.db2.gz MZMWMPWJFIGQIN-INIZCTEOSA-N 2 0 355.504 0.907 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000556205160 491303129 /nfs/dbraw/zinc/30/31/29/491303129.db2.gz HADBSVNZDLFUIH-PBHICJAKSA-N 2 0 354.520 0.237 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000465951608 490155622 /nfs/dbraw/zinc/15/56/22/490155622.db2.gz NUGNOUBKNDEWBF-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950511 490155675 /nfs/dbraw/zinc/15/56/75/490155675.db2.gz OVHHTSFXZKVBGV-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000465950502 490155890 /nfs/dbraw/zinc/15/58/90/490155890.db2.gz OTGKMFGZCROFOW-ZWKOTPCHSA-N 3 0 369.554 0.765 20 0 FCADRP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000465949291 490156508 /nfs/dbraw/zinc/15/65/08/490156508.db2.gz DOAHFWKEMNJJMH-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000520550291 490162779 /nfs/dbraw/zinc/16/27/79/490162779.db2.gz BQLZYZDNSLFYNS-FPCVCCKLSA-N 2 0 350.507 0.537 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000497478316 490166639 /nfs/dbraw/zinc/16/66/39/490166639.db2.gz JOZCBIKHZPXYCD-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000422126483 490177715 /nfs/dbraw/zinc/17/77/15/490177715.db2.gz WVNXXPQOFINNAS-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000507153975 490183115 /nfs/dbraw/zinc/18/31/15/490183115.db2.gz KZBMPBIWWLPNEQ-DZGCQCFKSA-N 2 0 354.414 0.949 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000422156924 490193785 /nfs/dbraw/zinc/19/37/85/490193785.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 2 0 369.554 0.766 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507355830 490201956 /nfs/dbraw/zinc/20/19/56/490201956.db2.gz GEJMALZKICUWOG-AWEZNQCLSA-N 2 0 369.510 0.247 20 0 FCADRP CCOC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1C ZINC000546174109 490202308 /nfs/dbraw/zinc/20/23/08/490202308.db2.gz FCUADDFXPIKEKL-UHFFFAOYSA-N 2 0 374.507 0.316 20 0 FCADRP NC(=O)CCC1CC[NH+](CC(O)C[NH+]2CCC(CCC(N)=O)CC2)CC1 ZINC000447308368 490219418 /nfs/dbraw/zinc/21/94/18/490219418.db2.gz CUEDNZGJBYYEKY-UHFFFAOYSA-N 2 0 368.522 0.302 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000521070735 490222047 /nfs/dbraw/zinc/22/20/47/490222047.db2.gz GSCOBVDBKIHRMZ-KKUMJFAQSA-N 2 0 354.495 0.452 20 0 FCADRP CNC(=O)N[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947654 490233371 /nfs/dbraw/zinc/23/33/71/490233371.db2.gz WUFBYMCZIFYMKJ-GJZGRUSLSA-N 2 0 354.499 0.163 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000571466428 491310118 /nfs/dbraw/zinc/31/01/18/491310118.db2.gz APBXOPJMMMVQOU-UHFFFAOYSA-N 2 0 356.511 0.452 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422299393 490240768 /nfs/dbraw/zinc/24/07/68/490240768.db2.gz TYPKJSUDIJDKSE-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000521273833 490244101 /nfs/dbraw/zinc/24/41/01/490244101.db2.gz IEQDTCNEIWSYQF-RBUKOAKNSA-N 2 0 372.513 0.878 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000521339002 490249664 /nfs/dbraw/zinc/24/96/64/490249664.db2.gz DXBWWYGKTIOUHD-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000521624437 490283300 /nfs/dbraw/zinc/28/33/00/490283300.db2.gz AQMACGHOJGIEOJ-HUUCEWRRSA-N 2 0 355.508 0.292 20 0 FCADRP COc1ccccc1C(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000547464355 490297730 /nfs/dbraw/zinc/29/77/30/490297730.db2.gz IFYGOWVZOXVGBO-UHFFFAOYSA-N 2 0 350.463 0.377 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C[C@@H]21 ZINC000521806216 490298585 /nfs/dbraw/zinc/29/85/85/490298585.db2.gz YTSWNTCIDSFNIR-CVEARBPZSA-N 2 0 351.495 0.324 20 0 FCADRP O=C(CC[NH2+]C1CC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000571579342 491317070 /nfs/dbraw/zinc/31/70/70/491317070.db2.gz GBYQHHZCSILWLO-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437171 490319113 /nfs/dbraw/zinc/31/91/13/490319113.db2.gz YZGDLFZDVFRUCJ-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000422456934 490331022 /nfs/dbraw/zinc/33/10/22/490331022.db2.gz RVVOGWBEKXXMEE-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H](C)O1 ZINC000467707318 490331566 /nfs/dbraw/zinc/33/15/66/490331566.db2.gz XLLUDJAISJLAGQ-DQIHPLBOSA-N 2 0 351.491 0.807 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000467708693 490333266 /nfs/dbraw/zinc/33/32/66/490333266.db2.gz JWOMFNJGTNXRTQ-GOSISDBHSA-N 2 0 374.485 0.155 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138264 490345305 /nfs/dbraw/zinc/34/53/05/490345305.db2.gz VRDWFWQBUWXCKP-ROUUACIJSA-N 2 0 358.486 0.952 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000534335527 490353190 /nfs/dbraw/zinc/35/31/90/490353190.db2.gz IJZLHDDSBRHBJV-UHFFFAOYSA-N 2 0 357.480 0.019 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000422488431 490353415 /nfs/dbraw/zinc/35/34/15/490353415.db2.gz NBJQGEQTKHWOTB-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCCC[C@H]1C ZINC000448488089 490356826 /nfs/dbraw/zinc/35/68/26/490356826.db2.gz OTQKWBWVVRCSKX-CABCVRRESA-N 2 0 364.494 0.762 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000409626144 490356974 /nfs/dbraw/zinc/35/69/74/490356974.db2.gz QNKWDFMMLDWUKX-IRXDYDNUSA-N 2 0 351.495 0.982 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000498945498 490370108 /nfs/dbraw/zinc/37/01/08/490370108.db2.gz YNCIDENSKDOFMR-IAGOWNOFSA-N 2 0 366.506 0.370 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCCCC1 ZINC000571658702 491321213 /nfs/dbraw/zinc/32/12/13/491321213.db2.gz QKTIBQCJGQATMK-GJZGRUSLSA-N 2 0 351.495 0.594 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410992965 490377027 /nfs/dbraw/zinc/37/70/27/490377027.db2.gz XXKNIQSDSWWQGD-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000522449026 490379610 /nfs/dbraw/zinc/37/96/10/490379610.db2.gz FAJDOKIZPSAGPY-SJORKVTESA-N 2 0 367.538 0.912 20 0 FCADRP COC(=O)Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1F ZINC000422551334 490402271 /nfs/dbraw/zinc/40/22/71/490402271.db2.gz NHXHBPGWBYUQSH-UHFFFAOYSA-N 2 0 361.439 0.230 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1F ZINC000411240227 490411376 /nfs/dbraw/zinc/41/13/76/490411376.db2.gz HEYYFRHPHXKHNW-CQSZACIVSA-N 2 0 366.437 0.915 20 0 FCADRP Cc1cc(CNC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc(C)n1 ZINC000422587470 490417226 /nfs/dbraw/zinc/41/72/26/490417226.db2.gz HZXFERQVEMTOLA-OAHLLOKOSA-N 2 0 362.474 0.618 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000499446431 490424526 /nfs/dbraw/zinc/42/45/26/490424526.db2.gz ZXGCILHBXLVKIT-NVXWUHKLSA-N 2 0 366.506 0.014 20 0 FCADRP CC1[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449815403 490427806 /nfs/dbraw/zinc/42/78/06/490427806.db2.gz QLQJRUVEEQHZPA-BRSBDYLESA-N 2 0 364.534 0.781 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000422610816 490427753 /nfs/dbraw/zinc/42/77/53/490427753.db2.gz QUPFUSBEOHAWEG-RUXDESIVSA-N 2 0 365.444 0.995 20 0 FCADRP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C(C)[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000449814309 490428415 /nfs/dbraw/zinc/42/84/15/490428415.db2.gz KKDMILJYWYGJJL-WNRNVDISSA-N 2 0 364.534 0.785 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625234 490430607 /nfs/dbraw/zinc/43/06/07/490430607.db2.gz BACIIFFJFSLBDJ-RDBSUJKOSA-N 2 0 368.503 0.886 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)CC1=O ZINC000509636966 490445761 /nfs/dbraw/zinc/44/57/61/490445761.db2.gz VALJLQDTSQNJBB-YYIAUSFCSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000509673306 490451413 /nfs/dbraw/zinc/45/14/13/490451413.db2.gz YWURLWPDQKEWHG-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP O=C(COC[C@@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523315617 490455828 /nfs/dbraw/zinc/45/58/28/490455828.db2.gz JVPBYYHOKGIFPB-SFHVURJKSA-N 2 0 362.474 0.906 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000509723731 490458454 /nfs/dbraw/zinc/45/84/54/490458454.db2.gz GLILLLQLDMIRFG-HNNXBMFYSA-N 2 0 356.511 0.308 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746102 490469352 /nfs/dbraw/zinc/46/93/52/490469352.db2.gz VYWIRRLMIOYOSS-JKSUJKDBSA-N 3 0 368.522 0.485 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482358 490470039 /nfs/dbraw/zinc/47/00/39/490470039.db2.gz TZLUOYRFTMSYIN-INIZCTEOSA-N 2 0 366.506 0.790 20 0 FCADRP O=C(CSCC(=O)N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000535262629 490471106 /nfs/dbraw/zinc/47/11/06/490471106.db2.gz OEWISZZRRIVVKO-OKILXGFUSA-N 2 0 366.531 0.425 20 0 FCADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422753947 490471698 /nfs/dbraw/zinc/47/16/98/490471698.db2.gz FMKUWVDUMRDAHN-OAHLLOKOSA-N 2 0 354.520 0.840 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000500089275 490483156 /nfs/dbraw/zinc/48/31/56/490483156.db2.gz HCOBTPDOGVDULL-QGZVFWFLSA-N 2 0 360.568 0.664 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843318 490485264 /nfs/dbraw/zinc/48/52/64/490485264.db2.gz HVIUIAJPOVOKAB-ROUUACIJSA-N 2 0 361.490 0.477 20 0 FCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000548464253 490490609 /nfs/dbraw/zinc/49/06/09/490490609.db2.gz NXYUZSOHTNDTRR-UHFFFAOYSA-N 2 0 368.503 0.432 20 0 FCADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856166 491331830 /nfs/dbraw/zinc/33/18/30/491331830.db2.gz VZHFUDKWIZBNJJ-HCXYKTFWSA-N 2 0 356.555 0.318 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985299 490511744 /nfs/dbraw/zinc/51/17/44/490511744.db2.gz DANHINDXLJBWQU-BBWFWOEESA-N 2 0 360.506 0.999 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC1 ZINC000500429395 490515024 /nfs/dbraw/zinc/51/50/24/490515024.db2.gz VVSZMXKKJQZIIM-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000535720679 490517226 /nfs/dbraw/zinc/51/72/26/490517226.db2.gz GFOHRJYHWQJYGR-KRWDZBQOSA-N 2 0 359.474 0.905 20 0 FCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423019521 490520629 /nfs/dbraw/zinc/52/06/29/490520629.db2.gz WBMAKOUHVVBDGN-UHFFFAOYSA-N 2 0 352.504 0.850 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423041875 490528578 /nfs/dbraw/zinc/52/85/78/490528578.db2.gz XZJHNZNBUAHSDB-HXUWFJFHSA-N 2 0 358.486 0.918 20 0 FCADRP CN1CCN([C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889553 491333767 /nfs/dbraw/zinc/33/37/67/491333767.db2.gz BAHSAPCBWWWCJA-GJZGRUSLSA-N 2 0 352.504 0.531 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423061834 490534218 /nfs/dbraw/zinc/53/42/18/490534218.db2.gz LUQPJMMFZRKZET-KRWDZBQOSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423066180 490535514 /nfs/dbraw/zinc/53/55/14/490535514.db2.gz WHYJKWMEEBXYGJ-UHFFFAOYSA-N 2 0 356.511 0.389 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000564890084 491334160 /nfs/dbraw/zinc/33/41/60/491334160.db2.gz ZIURBXAUVOYIRD-QGZVFWFLSA-N 2 0 372.473 0.648 20 0 FCADRP CN1CCN([C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889554 491334164 /nfs/dbraw/zinc/33/41/64/491334164.db2.gz BAHSAPCBWWWCJA-HUUCEWRRSA-N 2 0 352.504 0.531 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510807372 490541031 /nfs/dbraw/zinc/54/10/31/490541031.db2.gz BOCLPQJNFPJYOD-SJORKVTESA-N 2 0 360.568 0.853 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000548800209 490542372 /nfs/dbraw/zinc/54/23/72/490542372.db2.gz IJCBDKDDMNBUNL-VAMGGRTRSA-N 2 0 372.513 0.376 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000485563833 490544075 /nfs/dbraw/zinc/54/40/75/490544075.db2.gz VCUVVTNAXHNEQT-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000500764018 490549564 /nfs/dbraw/zinc/54/95/64/490549564.db2.gz LFPOKYBIEPPBIE-UHFFFAOYSA-N 2 0 366.506 0.348 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000564914818 491335692 /nfs/dbraw/zinc/33/56/92/491335692.db2.gz UFLIFFMXZIZRMF-KRWDZBQOSA-N 2 0 362.474 0.595 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485801452 490559236 /nfs/dbraw/zinc/55/92/36/490559236.db2.gz ZSCJUYLORJMRCR-KRWDZBQOSA-N 2 0 369.473 0.992 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485805224 490560423 /nfs/dbraw/zinc/56/04/23/490560423.db2.gz LBWMBHMRYFOBGF-XHSDSOJGSA-N 2 0 364.494 0.822 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000536218462 490561573 /nfs/dbraw/zinc/56/15/73/490561573.db2.gz BIJJQBZPAIJFKW-IBGZPJMESA-N 2 0 366.550 0.900 20 0 FCADRP COc1nc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)n1 ZINC000485846368 490563682 /nfs/dbraw/zinc/56/36/82/490563682.db2.gz HXSCRRBAPBOBHC-UHFFFAOYSA-N 2 0 363.510 0.231 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1nc(C)no1 ZINC000511157846 490566430 /nfs/dbraw/zinc/56/64/30/490566430.db2.gz UMRMAYSVVGDYTF-HNNXBMFYSA-N 2 0 353.467 0.769 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000556796942 491337918 /nfs/dbraw/zinc/33/79/18/491337918.db2.gz CLXPVVUBMGPDPW-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486109355 490590929 /nfs/dbraw/zinc/59/09/29/490590929.db2.gz NCHXYEAVZOOQFG-IRXDYDNUSA-N 2 0 360.506 0.693 20 0 FCADRP C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000564940945 491338687 /nfs/dbraw/zinc/33/86/87/491338687.db2.gz VIKQYSWHSACKCY-CVEARBPZSA-N 2 0 366.506 0.394 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000564947315 491339158 /nfs/dbraw/zinc/33/91/58/491339158.db2.gz JTVHLOPZWFLUPN-BBRMVZONSA-N 2 0 357.458 0.351 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564949765 491339422 /nfs/dbraw/zinc/33/94/22/491339422.db2.gz IICUNAPKBXMSIS-ZIAGYGMSSA-N 2 0 374.411 0.374 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486289725 490606530 /nfs/dbraw/zinc/60/65/30/490606530.db2.gz FDLJDCRIPWUISQ-UTSKFRMZSA-N 2 0 352.523 0.639 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000486289724 490606955 /nfs/dbraw/zinc/60/69/55/490606955.db2.gz FDLJDCRIPWUISQ-SIRPWMCASA-N 2 0 352.523 0.639 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000549986474 490617162 /nfs/dbraw/zinc/61/71/62/490617162.db2.gz DAHVYNBFXZKXCP-QGZVFWFLSA-N 2 0 362.474 0.625 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)CC1 ZINC000525684491 490618428 /nfs/dbraw/zinc/61/84/28/490618428.db2.gz SNCDIAXDGXDMSW-QRVBRYPASA-N 2 0 355.523 0.643 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000556849125 491340541 /nfs/dbraw/zinc/34/05/41/491340541.db2.gz HUNRGVAWNJYSLL-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688396 490620893 /nfs/dbraw/zinc/62/08/93/490620893.db2.gz BZLAYWPLYQOGNW-HOTGVXAUSA-N 2 0 364.490 0.304 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000550107876 490625841 /nfs/dbraw/zinc/62/58/41/490625841.db2.gz OXAPVAZYHJKZCQ-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP CO[C@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@H](C[NH3+])C1 ZINC000564970563 491341694 /nfs/dbraw/zinc/34/16/94/491341694.db2.gz MCFCRPYVCPRTSI-GJZGRUSLSA-N 2 0 373.523 0.188 20 0 FCADRP CO[C@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@@H](C[NH3+])C1 ZINC000564970561 491341776 /nfs/dbraw/zinc/34/17/76/491341776.db2.gz MCFCRPYVCPRTSI-CABCVRRESA-N 2 0 373.523 0.188 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486517809 490642483 /nfs/dbraw/zinc/64/24/83/490642483.db2.gz NCHUNVNYIVVHNZ-LTIDMASMSA-N 2 0 366.550 0.983 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000502019827 490668145 /nfs/dbraw/zinc/66/81/45/490668145.db2.gz SULGSCFRAHIEBR-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP COC(=O)c1ccsc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132150 490678887 /nfs/dbraw/zinc/67/88/87/490678887.db2.gz LJOFYUWMEXOTLI-UHFFFAOYSA-N 2 0 370.475 0.425 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000557036107 491350020 /nfs/dbraw/zinc/35/00/20/491350020.db2.gz WINIZNYNZCWJMQ-CABCVRRESA-N 2 0 360.458 0.763 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000557036110 491350093 /nfs/dbraw/zinc/35/00/93/491350093.db2.gz WINIZNYNZCWJMQ-LSDHHAIUSA-N 2 0 360.458 0.763 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000488351136 490756609 /nfs/dbraw/zinc/75/66/09/490756609.db2.gz FBDSUBFROQVDCO-UGUYLWEFSA-N 2 0 350.507 0.537 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)CC1=O ZINC000538922477 490757620 /nfs/dbraw/zinc/75/76/20/490757620.db2.gz VTDAAIPWGBPDPN-QBPKDAKJSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000514596400 490773596 /nfs/dbraw/zinc/77/35/96/490773596.db2.gz VUBGPSUTXQJWIX-OAHLLOKOSA-N 2 0 352.504 0.782 20 0 FCADRP Cc1csc2ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n12 ZINC000539562001 490789420 /nfs/dbraw/zinc/78/94/20/490789420.db2.gz NMHCTJLUYXCZPW-UHFFFAOYSA-N 2 0 351.476 0.630 20 0 FCADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000514856301 490793684 /nfs/dbraw/zinc/79/36/84/490793684.db2.gz CKCRMZFSIXOHOR-FUHWJXTLSA-N 2 0 351.491 0.798 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514925118 490797985 /nfs/dbraw/zinc/79/79/85/490797985.db2.gz JNJDOJNWZZYTBN-ZWKOTPCHSA-N 2 0 362.474 0.565 20 0 FCADRP CN1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000557151608 491356980 /nfs/dbraw/zinc/35/69/80/491356980.db2.gz UZZYOMSYHJVFMR-QGZVFWFLSA-N 2 0 363.506 0.454 20 0 FCADRP CC(=O)Nc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000515117011 490809654 /nfs/dbraw/zinc/80/96/54/490809654.db2.gz HCLIWDRZKVOBMU-UHFFFAOYSA-N 2 0 350.467 0.675 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000515303266 490816926 /nfs/dbraw/zinc/81/69/26/490816926.db2.gz YZRGZMHFKOLQMK-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]CC1(CC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCCC1 ZINC000557169148 491357912 /nfs/dbraw/zinc/35/79/12/491357912.db2.gz YHGKQNWOOSLPOZ-INIZCTEOSA-N 2 0 350.507 0.956 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000528731165 490824069 /nfs/dbraw/zinc/82/40/69/490824069.db2.gz RKNKNBHUNAPLRJ-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000540696199 490834260 /nfs/dbraw/zinc/83/42/60/490834260.db2.gz KKNMIKWIPAWADV-ZWKOTPCHSA-N 2 0 373.501 0.715 20 0 FCADRP O=C(NC[C@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000515836979 490839856 /nfs/dbraw/zinc/83/98/56/490839856.db2.gz KUEWMLYXTLPITI-QAPCUYQASA-N 2 0 362.518 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838365 490841718 /nfs/dbraw/zinc/84/17/18/490841718.db2.gz KGQUOHFKTOUCNG-OAHLLOKOSA-N 2 0 352.479 0.400 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515919443 490843499 /nfs/dbraw/zinc/84/34/99/490843499.db2.gz KRVTYOTUHJKOBC-QGZVFWFLSA-N 3 0 367.538 0.071 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000557245653 491361834 /nfs/dbraw/zinc/36/18/34/491361834.db2.gz WXMSARXGJVTEKZ-FQEVSTJZSA-N 2 0 358.486 0.967 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367603 490856739 /nfs/dbraw/zinc/85/67/39/490856739.db2.gz RFOGNAQNBJNRJY-OAHLLOKOSA-N 2 0 351.495 0.467 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000541267507 490856924 /nfs/dbraw/zinc/85/69/24/490856924.db2.gz WNNIUFJVEAKFSX-KSZLIROESA-N 2 0 352.523 0.439 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1 ZINC000541693201 490869564 /nfs/dbraw/zinc/86/95/64/490869564.db2.gz KBVQXWIISIWRPG-JKSUJKDBSA-N 2 0 359.474 0.625 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000516591853 490869709 /nfs/dbraw/zinc/86/97/09/490869709.db2.gz BLRBMMXFHONBHK-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000516766567 490877331 /nfs/dbraw/zinc/87/73/31/490877331.db2.gz NWZPJQRZCNEHGO-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000565192361 491359044 /nfs/dbraw/zinc/35/90/44/491359044.db2.gz ZYJTWRYCWMUGLT-FQEVSTJZSA-N 2 0 371.485 0.812 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557206244 491359455 /nfs/dbraw/zinc/35/94/55/491359455.db2.gz QQDDWKZWVFMSPH-DLBZAZTESA-N 2 0 373.501 0.723 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC000572274719 491359977 /nfs/dbraw/zinc/35/99/77/491359977.db2.gz LMNCHZOZNRMDDN-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000542607723 490901465 /nfs/dbraw/zinc/90/14/65/490901465.db2.gz MAGFZMREMVKLIA-QZTJIDSGSA-N 2 0 353.555 0.497 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000530429430 490905256 /nfs/dbraw/zinc/90/52/56/490905256.db2.gz XHTYCYSXOGSHAV-ZDUSSCGKSA-N 2 0 357.524 0.824 20 0 FCADRP COc1nc(NCC[NH+]2CC=CCC2)nc(NCC[N@H+]2CC=CCC2)n1 ZINC000530430952 490905435 /nfs/dbraw/zinc/90/54/35/490905435.db2.gz SUDOYODSATUWCB-UHFFFAOYSA-N 2 0 359.478 0.072 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000542778706 490908826 /nfs/dbraw/zinc/90/88/26/490908826.db2.gz HHFIZSRMCNVUBO-AQNXPRMDSA-N 2 0 372.513 0.376 20 0 FCADRP COCn1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000518056617 490929180 /nfs/dbraw/zinc/92/91/80/490929180.db2.gz VPIXNMZWSZKIKZ-UHFFFAOYSA-N 2 0 361.512 0.218 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000572362627 491365171 /nfs/dbraw/zinc/36/51/71/491365171.db2.gz VYYDQHPUQFZZTN-LJQANCHMSA-N 2 0 359.518 0.609 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244186 490947497 /nfs/dbraw/zinc/94/74/97/490947497.db2.gz BGZWVKNHXIVANX-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797896 490952241 /nfs/dbraw/zinc/95/22/41/490952241.db2.gz YGJZUMCIWSPKEF-IRXDYDNUSA-N 2 0 363.506 0.737 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000531356909 490953411 /nfs/dbraw/zinc/95/34/11/490953411.db2.gz SCBZVRGDWYKHTE-HNNXBMFYSA-N 2 0 350.463 0.580 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970590 490957527 /nfs/dbraw/zinc/95/75/27/490957527.db2.gz JAUNKWXJDODRMB-OWCLPIDISA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000519558207 490976749 /nfs/dbraw/zinc/97/67/49/490976749.db2.gz PZJYRRKEQFGPFG-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000519597136 490978556 /nfs/dbraw/zinc/97/85/56/490978556.db2.gz DVTOAEFOBWOSPH-GOSISDBHSA-N 2 0 358.486 0.886 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531935303 490981284 /nfs/dbraw/zinc/98/12/84/490981284.db2.gz YUEHXSPKPGCUAC-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000519646957 490981614 /nfs/dbraw/zinc/98/16/14/490981614.db2.gz BMIRCRPZEOMFPT-VXGBXAGGSA-N 2 0 355.451 0.326 20 0 FCADRP [NH3+][C@@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000519690581 490984230 /nfs/dbraw/zinc/98/42/30/490984230.db2.gz GHBVPZDNZPMNEY-HUUCEWRRSA-N 2 0 358.408 0.899 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067609 490985405 /nfs/dbraw/zinc/98/54/05/490985405.db2.gz PSZMVTUJTJUEMP-DOTOQJQBSA-N 2 0 365.522 0.665 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000569554432 491167619 /nfs/dbraw/zinc/16/76/19/491167619.db2.gz MZLPWPBQHCIAGS-UHFFFAOYSA-N 2 0 367.538 0.567 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569571604 491168785 /nfs/dbraw/zinc/16/87/85/491168785.db2.gz LNMLHUKFQIZXTR-GOSISDBHSA-N 2 0 373.501 0.944 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557381438 491371546 /nfs/dbraw/zinc/37/15/46/491371546.db2.gz QXZBJMMBKCCHNR-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)CC1 ZINC000572466192 491372241 /nfs/dbraw/zinc/37/22/41/491372241.db2.gz RXTRKOXKUWAFEK-QRVBRYPASA-N 2 0 357.502 0.978 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000565372714 491372870 /nfs/dbraw/zinc/37/28/70/491372870.db2.gz NDRMRMZTRJYIEG-JLSDUUJJSA-N 2 0 371.485 0.387 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C[NH2+]C(CO)CO)[NH+]2CCCCC2)cc1 ZINC000572494238 491373843 /nfs/dbraw/zinc/37/38/43/491373843.db2.gz OKALKYHUHNFFGO-GOSISDBHSA-N 2 0 365.474 0.281 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270753 493337577 /nfs/dbraw/zinc/33/75/77/493337577.db2.gz PMAMTGCFDQDNGE-RDJZCZTQSA-N 2 0 359.474 0.529 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000557500931 491379148 /nfs/dbraw/zinc/37/91/48/491379148.db2.gz OOLUEWOLTVLJSS-IRXDYDNUSA-N 2 0 368.522 0.593 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000557501885 491379230 /nfs/dbraw/zinc/37/92/30/491379230.db2.gz VPCHSWCLOCCQIX-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](CCNc1nc(NCC[N@@H+](C)C2CC2)nc2c1SCC2)C1CC1 ZINC000557538928 491381132 /nfs/dbraw/zinc/38/11/32/491381132.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 2 0 362.547 0.981 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000557558048 491382580 /nfs/dbraw/zinc/38/25/80/491382580.db2.gz CKVJQTRDMGDJMK-HNNXBMFYSA-N 2 0 368.522 0.591 20 0 FCADRP CC[C@@H]1C[NH+](C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000572634519 491383142 /nfs/dbraw/zinc/38/31/42/491383142.db2.gz VMDAMNUECBXNQP-BJWYYQGGSA-N 2 0 368.522 0.233 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000557561597 491383307 /nfs/dbraw/zinc/38/33/07/491383307.db2.gz OHMDCVSBUPEYAC-CABCVRRESA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540227 491383493 /nfs/dbraw/zinc/38/34/93/491383493.db2.gz MTCRJODAVWWSGM-NVXWUHKLSA-N 2 0 374.485 0.390 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000565549301 491383954 /nfs/dbraw/zinc/38/39/54/491383954.db2.gz LDCARFGCBXZOPF-ULQDDVLXSA-N 2 0 359.474 0.113 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1=CC[N@H+](C)CC1 ZINC000572667408 491386021 /nfs/dbraw/zinc/38/60/21/491386021.db2.gz WVMVIYDYOFIUBM-GUYCJALGSA-N 2 0 354.520 0.307 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742100 491395543 /nfs/dbraw/zinc/39/55/43/491395543.db2.gz JPFZZJRJDMYFAE-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751272 491395757 /nfs/dbraw/zinc/39/57/57/491395757.db2.gz RCVYZQAVQOJELS-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751275 491396048 /nfs/dbraw/zinc/39/60/48/491396048.db2.gz RCVYZQAVQOJELS-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000565765502 491398354 /nfs/dbraw/zinc/39/83/54/491398354.db2.gz SREJLENGMUXOJL-ZACQAIPSSA-N 2 0 353.511 0.039 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885615 491399901 /nfs/dbraw/zinc/39/99/01/491399901.db2.gz HNXCETJMXGZLKP-ROUUACIJSA-N 2 0 372.517 0.837 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H](C)C1 ZINC000573102919 491412835 /nfs/dbraw/zinc/41/28/35/491412835.db2.gz RBSNOBZYFHYIMY-HOTGVXAUSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573114742 491413877 /nfs/dbraw/zinc/41/38/77/491413877.db2.gz NICVZAGKTQKROQ-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000573222495 491420487 /nfs/dbraw/zinc/42/04/87/491420487.db2.gz ILPXNQHBACSYMJ-UHFFFAOYSA-N 2 0 374.438 0.374 20 0 FCADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000573250888 491422547 /nfs/dbraw/zinc/42/25/47/491422547.db2.gz JDDPCJJVHLRCMT-MSOLQXFVSA-N 2 0 374.485 0.817 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566223844 491427243 /nfs/dbraw/zinc/42/72/43/491427243.db2.gz MMVCPNAOSOMQLX-ARFHVFGLSA-N 2 0 369.535 0.809 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000566236859 491428792 /nfs/dbraw/zinc/42/87/92/491428792.db2.gz CEFSDMFFNAFHHB-MAUKXSAKSA-N 2 0 358.486 0.919 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412999 491429464 /nfs/dbraw/zinc/42/94/64/491429464.db2.gz XCVPNTFKUGYEHE-JKSUJKDBSA-N 2 0 350.507 0.847 20 0 FCADRP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000573441204 491433464 /nfs/dbraw/zinc/43/34/64/491433464.db2.gz AQBYMCRZAYCXEY-FQEVSTJZSA-N 2 0 374.485 0.949 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511298 491437870 /nfs/dbraw/zinc/43/78/70/491437870.db2.gz BXQHHOVTHYWPJS-WBVHZDCISA-N 2 0 358.486 0.976 20 0 FCADRP CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000573561577 491440748 /nfs/dbraw/zinc/44/07/48/491440748.db2.gz PGPHKPAQGZJIPE-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496570 491448779 /nfs/dbraw/zinc/44/87/79/491448779.db2.gz SAUHAULPYJQSRS-RCCFBDPRSA-N 2 0 356.470 0.669 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508776 491449814 /nfs/dbraw/zinc/44/98/14/491449814.db2.gz ZCXDWKPLRVINEC-GVDBMIGSSA-N 2 0 357.458 0.214 20 0 FCADRP Cn1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C(F)(F)F)n1 ZINC000559032430 491452261 /nfs/dbraw/zinc/45/22/61/491452261.db2.gz HXPFBLBDZOHPOY-UHFFFAOYSA-N 2 0 371.429 0.553 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000573839697 491458337 /nfs/dbraw/zinc/45/83/37/491458337.db2.gz FHNKGZGZIYTUIB-AWEZNQCLSA-N 2 0 354.520 0.332 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000566736521 491463660 /nfs/dbraw/zinc/46/36/60/491463660.db2.gz DBEUBYYCSQRLAD-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000559404942 491470670 /nfs/dbraw/zinc/47/06/70/491470670.db2.gz LWADKACYAQOBDH-QGZVFWFLSA-N 2 0 362.474 0.072 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412744 491471096 /nfs/dbraw/zinc/47/10/96/491471096.db2.gz UOSOYOSZMYQXMP-MSOLQXFVSA-N 2 0 360.502 0.828 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000559465333 491476059 /nfs/dbraw/zinc/47/60/59/491476059.db2.gz LSGWZORSPQMKHY-KRWDZBQOSA-N 2 0 350.507 0.923 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000574167814 491478895 /nfs/dbraw/zinc/47/88/95/491478895.db2.gz UWMNPFUAAKREGN-VSZNYVQBSA-N 2 0 351.539 0.947 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1 ZINC000559748167 491495375 /nfs/dbraw/zinc/49/53/75/491495375.db2.gz OYOTUAXEMSUFQM-DTTOXWODSA-N 2 0 358.486 0.915 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)C1(C)C ZINC000574451049 491497938 /nfs/dbraw/zinc/49/79/38/491497938.db2.gz ZWRJMGVVTUNDHY-VCBZYWHSSA-N 2 0 368.522 0.626 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000559775341 491499061 /nfs/dbraw/zinc/49/90/61/491499061.db2.gz FYXYRUCSZKBTRI-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)[C@@H]2C1 ZINC000574505647 491501331 /nfs/dbraw/zinc/50/13/31/491501331.db2.gz PMFKYBDVAYIJDR-GDBMZVCRSA-N 2 0 359.474 0.431 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000567368994 491502376 /nfs/dbraw/zinc/50/23/76/491502376.db2.gz NSUWCMXVHCPQQS-QXSJWSMHSA-N 2 0 365.522 0.696 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585404 491506701 /nfs/dbraw/zinc/50/67/01/491506701.db2.gz VLJANOFPMLVLKD-KURKYZTESA-N 2 0 356.470 0.812 20 0 FCADRP CCC[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000574640887 491509889 /nfs/dbraw/zinc/50/98/89/491509889.db2.gz OGGMEASAMXBJJY-KRWDZBQOSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567522074 491511822 /nfs/dbraw/zinc/51/18/22/491511822.db2.gz FGOKQZCLOUVZKS-HOTGVXAUSA-N 2 0 353.511 0.603 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000574688646 491513326 /nfs/dbraw/zinc/51/33/26/491513326.db2.gz QNVMTNFXGLGYGY-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)COC1C[NH2+]C1)CC2 ZINC000574689810 491513903 /nfs/dbraw/zinc/51/39/03/491513903.db2.gz UNXWBOMLRXOERL-CQSZACIVSA-N 2 0 350.488 0.944 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000560026995 491516774 /nfs/dbraw/zinc/51/67/74/491516774.db2.gz YTGXVIXHGCXICH-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574910914 491527307 /nfs/dbraw/zinc/52/73/07/491527307.db2.gz BFRHLRBDSKAWAK-KSZLIROESA-N 2 0 362.518 0.920 20 0 FCADRP COC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000574917585 491527484 /nfs/dbraw/zinc/52/74/84/491527484.db2.gz INTSXGXMJGSWHT-UHFFFAOYSA-N 2 0 360.502 0.865 20 0 FCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000567811575 491531685 /nfs/dbraw/zinc/53/16/85/491531685.db2.gz WHBUVDRZWMUJLN-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000567835473 491533218 /nfs/dbraw/zinc/53/32/18/491533218.db2.gz RDPSGHDOTPMYCG-SPYBWZPUSA-N 2 0 366.506 0.189 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575028338 491534291 /nfs/dbraw/zinc/53/42/91/491534291.db2.gz KHSIVFZCFSODPH-HUUCEWRRSA-N 2 0 352.866 0.879 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000560666161 491551678 /nfs/dbraw/zinc/55/16/78/491551678.db2.gz GWPVJBBFXXYLLI-OAHLLOKOSA-N 2 0 362.449 0.856 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400011 491551804 /nfs/dbraw/zinc/55/18/04/491551804.db2.gz HKOIBAAYYZEUQQ-KZNAEPCWSA-N 2 0 371.485 0.303 20 0 FCADRP Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748705 491558390 /nfs/dbraw/zinc/55/83/90/491558390.db2.gz UADBVRCQBFJIBP-QWHCGFSZSA-N 2 0 354.476 0.640 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000575812821 491562552 /nfs/dbraw/zinc/56/25/52/491562552.db2.gz SLLJVTWDXHXFEJ-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295696 491567999 /nfs/dbraw/zinc/56/79/99/491567999.db2.gz LUFXNSQDHACJEI-OKZBNKHCSA-N 2 0 371.485 0.604 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000568309870 491568763 /nfs/dbraw/zinc/56/87/63/491568763.db2.gz YMIVXJNFEDVXFH-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000568309869 491568844 /nfs/dbraw/zinc/56/88/44/491568844.db2.gz YMIVXJNFEDVXFH-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP COC[C@H](O)C[NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000575916538 491569773 /nfs/dbraw/zinc/56/97/73/491569773.db2.gz MGKVQQHGNQAKQW-QGZVFWFLSA-N 2 0 351.447 0.444 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000568384149 491573061 /nfs/dbraw/zinc/57/30/61/491573061.db2.gz YLAKLTIHAOYMDD-INIZCTEOSA-N 2 0 374.485 0.259 20 0 FCADRP C[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000575987997 491574315 /nfs/dbraw/zinc/57/43/15/491574315.db2.gz XEAOLQYSNFZVKL-PSLQGDIJSA-N 2 0 350.507 0.775 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000561122764 491576674 /nfs/dbraw/zinc/57/66/74/491576674.db2.gz RNWDDSOZELTGJE-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000568490614 491580209 /nfs/dbraw/zinc/58/02/09/491580209.db2.gz IVXZAUQPJDNRAY-INIZCTEOSA-N 2 0 361.490 0.628 20 0 FCADRP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568501511 491580939 /nfs/dbraw/zinc/58/09/39/491580939.db2.gz PBNBKMJSSDLTEI-YOEHRIQHSA-N 2 0 358.442 0.938 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nnc2c1CCCC2 ZINC000561258391 491590114 /nfs/dbraw/zinc/59/01/14/491590114.db2.gz AYSXGLUJWQPOQJ-UHFFFAOYSA-N 2 0 350.511 0.889 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000561267219 491591522 /nfs/dbraw/zinc/59/15/22/491591522.db2.gz DCFOSIYJMGMWBY-OAHLLOKOSA-N 2 0 352.866 0.929 20 0 FCADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000577122841 491593044 /nfs/dbraw/zinc/59/30/44/491593044.db2.gz YTNWDIJJFGVRJX-PMACEKPBSA-N 2 0 374.529 0.636 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC(C)C1)[NH+]1CC(C)C1 ZINC000568646485 491596538 /nfs/dbraw/zinc/59/65/38/491596538.db2.gz GDUYHAXBBDRLMH-QZTJIDSGSA-N 2 0 364.534 0.974 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540964 491602028 /nfs/dbraw/zinc/60/20/28/491602028.db2.gz RHKSVBJRSKQGDG-BPQIPLTHSA-N 2 0 374.460 0.808 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000568729592 491604255 /nfs/dbraw/zinc/60/42/55/491604255.db2.gz PPGIQYAXSAERMZ-ZWKOTPCHSA-N 2 0 352.523 0.820 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561426765 491607886 /nfs/dbraw/zinc/60/78/86/491607886.db2.gz ZJTMKHRDBBMHPX-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000577365217 491615041 /nfs/dbraw/zinc/61/50/41/491615041.db2.gz RISPXTIUMGZCSL-RCCFBDPRSA-N 2 0 354.458 0.743 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)nc2)CC1 ZINC000577488319 491625580 /nfs/dbraw/zinc/62/55/80/491625580.db2.gz VTACGCGUNMTVDA-ZDUSSCGKSA-N 2 0 355.446 0.886 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000569025147 491628198 /nfs/dbraw/zinc/62/81/98/491628198.db2.gz BWWFBTIEHZROJA-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000576695587 491636762 /nfs/dbraw/zinc/63/67/62/491636762.db2.gz OJFFSAGZAILQLI-UIBIWLFHSA-N 2 0 360.502 0.815 20 0 FCADRP CO[C@H](C[NH3+])C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000569217395 491642660 /nfs/dbraw/zinc/64/26/60/491642660.db2.gz FVKBJIBYBJMRHK-OAHLLOKOSA-N 2 0 365.865 0.996 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968642 491642955 /nfs/dbraw/zinc/64/29/55/491642955.db2.gz OFXKXMWQIDJLPZ-GOEBONIOSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968643 491643388 /nfs/dbraw/zinc/64/33/88/491643388.db2.gz OFXKXMWQIDJLPZ-HOCLYGCPSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000576787466 491644803 /nfs/dbraw/zinc/64/48/03/491644803.db2.gz ZZSPEQDHIYPRGH-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000561997895 491645142 /nfs/dbraw/zinc/64/51/42/491645142.db2.gz XROVUMXUPSVTTI-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000577725343 491646052 /nfs/dbraw/zinc/64/60/52/491646052.db2.gz NDOXYQXJMDIWLR-WCXIOVBPSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001719 491646047 /nfs/dbraw/zinc/64/60/47/491646047.db2.gz OOSDDZPSSASEEV-GJZGRUSLSA-N 2 0 350.463 0.769 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000577726819 491646327 /nfs/dbraw/zinc/64/63/27/491646327.db2.gz IVIPKAQRTVCOJL-GOSISDBHSA-N 2 0 356.470 0.640 20 0 FCADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000562049610 491650477 /nfs/dbraw/zinc/65/04/77/491650477.db2.gz NDQWELOOQCCEOP-KRWDZBQOSA-N 2 0 360.568 0.758 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000569349552 491655013 /nfs/dbraw/zinc/65/50/13/491655013.db2.gz LXCARGFMOKBEDS-LJQANCHMSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000576999394 491663320 /nfs/dbraw/zinc/66/33/20/491663320.db2.gz WNVDJPVNMRXDGX-KRWDZBQOSA-N 2 0 368.522 0.533 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000577955747 491665723 /nfs/dbraw/zinc/66/57/23/491665723.db2.gz GREGELHLQLWFTJ-AEFFLSMTSA-N 3 0 352.523 0.805 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000578339474 491675086 /nfs/dbraw/zinc/67/50/86/491675086.db2.gz HGAJZGFRRKVHST-IRXDYDNUSA-N 2 0 365.522 0.698 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578504384 491678544 /nfs/dbraw/zinc/67/85/44/491678544.db2.gz BSOMOYHLDARNPZ-HZPDHXFCSA-N 2 0 363.510 0.804 20 0 FCADRP C[C@@]([NH3+])(C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000578608654 491680501 /nfs/dbraw/zinc/68/05/01/491680501.db2.gz CSQVWKKWMBTWRX-HNNXBMFYSA-N 2 0 369.263 0.171 20 0 FCADRP COCc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000578662399 491681958 /nfs/dbraw/zinc/68/19/58/491681958.db2.gz VALHHDKTWWCWQO-UHFFFAOYSA-N 2 0 357.480 0.180 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000578886307 491686405 /nfs/dbraw/zinc/68/64/05/491686405.db2.gz TUXZHKMNJYXVAB-QGZVFWFLSA-N 2 0 362.449 0.775 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043266 491689880 /nfs/dbraw/zinc/68/98/80/491689880.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 2 0 368.566 0.291 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000579130157 491691689 /nfs/dbraw/zinc/69/16/89/491691689.db2.gz NJTNERQCIJHYGE-SJORKVTESA-N 2 0 359.474 0.244 20 0 FCADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000579259592 491694249 /nfs/dbraw/zinc/69/42/49/491694249.db2.gz XLLYKTJBVPQCHA-SJLPKXTDSA-N 2 0 374.485 0.791 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000579308737 491695009 /nfs/dbraw/zinc/69/50/09/491695009.db2.gz YMMMNJWPRPNBGA-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000579437623 491697918 /nfs/dbraw/zinc/69/79/18/491697918.db2.gz DJUIAPONMCWGBP-UHFFFAOYSA-N 2 0 353.511 0.428 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579448907 491698026 /nfs/dbraw/zinc/69/80/26/491698026.db2.gz XERSZQFBESTAIB-UHFFFAOYSA-N 2 0 374.489 0.300 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000579456239 491698097 /nfs/dbraw/zinc/69/80/97/491698097.db2.gz HGVLIZSEQOBKRY-HUUCEWRRSA-N 2 0 364.494 0.461 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461750 491698218 /nfs/dbraw/zinc/69/82/18/491698218.db2.gz PIFKOKIQLTUMIK-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590128 491700988 /nfs/dbraw/zinc/70/09/88/491700988.db2.gz KLWIMVAAWVSJPM-KSZLIROESA-N 2 0 371.485 0.476 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000579607392 491701407 /nfs/dbraw/zinc/70/14/07/491701407.db2.gz WEKDRAPBBJCHHV-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[NH+](C)C)cc1 ZINC000579616260 491701687 /nfs/dbraw/zinc/70/16/87/491701687.db2.gz KPXOEBSSKPNSAO-IKGGRYGDSA-N 2 0 359.474 0.551 20 0 FCADRP Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[NH+](C)C)cc1 ZINC000579616259 491701814 /nfs/dbraw/zinc/70/18/14/491701814.db2.gz KPXOEBSSKPNSAO-BBWFWOEESA-N 2 0 359.474 0.551 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000579619563 491702038 /nfs/dbraw/zinc/70/20/38/491702038.db2.gz UUKNXUKFYCBAEP-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000579690631 491702960 /nfs/dbraw/zinc/70/29/60/491702960.db2.gz VAJGUWAACFYKSM-HUUCEWRRSA-N 2 0 351.495 0.370 20 0 FCADRP Cc1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)nnn1C1CC[NH2+]CC1 ZINC000584589441 491708649 /nfs/dbraw/zinc/70/86/49/491708649.db2.gz RBQZNWPKYPTRHD-MRXNPFEDSA-N 2 0 364.494 0.694 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](CC)O1 ZINC000579944051 491710370 /nfs/dbraw/zinc/71/03/70/491710370.db2.gz MICXEMDRQIMVIV-HZPDHXFCSA-N 2 0 356.511 0.354 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC000584736165 491712245 /nfs/dbraw/zinc/71/22/45/491712245.db2.gz WNCNJMGZXJSTCK-SFHVURJKSA-N 2 0 370.563 0.873 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000580006183 491713538 /nfs/dbraw/zinc/71/35/38/491713538.db2.gz OOODIOQGGBMAOA-JKSUJKDBSA-N 2 0 350.507 0.991 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000584778665 491713897 /nfs/dbraw/zinc/71/38/97/491713897.db2.gz TWORDEWMESUYNO-HOTGVXAUSA-N 2 0 364.494 0.603 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000580054964 491714946 /nfs/dbraw/zinc/71/49/46/491714946.db2.gz VYKSSHJWZXEPBN-GJZGRUSLSA-N 2 0 352.866 0.927 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000668487136 493361937 /nfs/dbraw/zinc/36/19/37/493361937.db2.gz VPBGTKFDNOAGLO-SFHVURJKSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000580075077 491716152 /nfs/dbraw/zinc/71/61/52/491716152.db2.gz UEEYQWWQRYDRRN-KGLIPLIRSA-N 2 0 350.463 0.485 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[NH+](C)CC1)C2 ZINC000584859394 491717600 /nfs/dbraw/zinc/71/76/00/491717600.db2.gz JCGHLGPUYQLOTP-MQVJKMGUSA-N 2 0 351.495 0.417 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000580293507 491724480 /nfs/dbraw/zinc/72/44/80/491724480.db2.gz UQKHMVFIDUTWIT-IYBDPMFKSA-N 2 0 365.522 0.474 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000580530963 491734608 /nfs/dbraw/zinc/73/46/08/491734608.db2.gz JYCUOWBBOCOZOW-MAUKXSAKSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100177 491734670 /nfs/dbraw/zinc/73/46/70/491734670.db2.gz WBPPURCXGMENPL-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C)C[NH2+]1 ZINC000580541333 491735203 /nfs/dbraw/zinc/73/52/03/491735203.db2.gz JBSFDQKPNAISGG-GJZGRUSLSA-N 2 0 368.547 0.673 20 0 FCADRP CO[C@H]1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000580565147 491736484 /nfs/dbraw/zinc/73/64/84/491736484.db2.gz WLQRZZOHDJKLGP-ZBFHGGJFSA-N 2 0 371.503 0.754 20 0 FCADRP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]2C1 ZINC000580925983 491751772 /nfs/dbraw/zinc/75/17/72/491751772.db2.gz RIPHLDYCPWDBNG-RCCFBDPRSA-N 2 0 367.538 0.768 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542702 493360182 /nfs/dbraw/zinc/36/01/82/493360182.db2.gz FZBHJTSHILQDCJ-FUHWJXTLSA-N 2 0 371.485 0.673 20 0 FCADRP COC[C@@]1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]C1 ZINC000580949338 491752861 /nfs/dbraw/zinc/75/28/61/491752861.db2.gz LTHUDENPDJDEOC-GOSISDBHSA-N 2 0 362.430 0.721 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000580963942 491753680 /nfs/dbraw/zinc/75/36/80/491753680.db2.gz HFTQJIAMEHXXTF-RRFJBIMHSA-N 2 0 363.462 0.616 20 0 FCADRP Cc1noc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000589216158 491757420 /nfs/dbraw/zinc/75/74/20/491757420.db2.gz CXQMBDSYWVQICB-UHFFFAOYSA-N 2 0 359.434 0.785 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542699 493360510 /nfs/dbraw/zinc/36/05/10/493360510.db2.gz FZBHJTSHILQDCJ-AEFFLSMTSA-N 2 0 371.485 0.673 20 0 FCADRP CC1(C)COCCN1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581536028 491776473 /nfs/dbraw/zinc/77/64/73/491776473.db2.gz YHWHJYPDKDLOIZ-UHFFFAOYSA-N 2 0 360.458 0.498 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000590536386 491777981 /nfs/dbraw/zinc/77/79/81/491777981.db2.gz LOUQTVHBTNPPLG-KLHDSHLOSA-N 2 0 370.563 0.917 20 0 FCADRP O=C(CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CC[NH2+]CC1 ZINC000581611377 491779859 /nfs/dbraw/zinc/77/98/59/491779859.db2.gz YNTUIWMNZLBSRV-UHFFFAOYSA-N 2 0 374.485 0.397 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000581721863 491784115 /nfs/dbraw/zinc/78/41/15/491784115.db2.gz TUEJZTKSEFJMDD-HZPDHXFCSA-N 2 0 367.490 0.669 20 0 FCADRP CC(=O)N1CCN(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891533 491789216 /nfs/dbraw/zinc/78/92/16/491789216.db2.gz OBZJKKKIUKLFNX-AZUAARDMSA-N 2 0 358.486 0.996 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2CC[NH2+]CC2)c1 ZINC000581932784 491790692 /nfs/dbraw/zinc/79/06/92/491790692.db2.gz GSAYKSSAXFPRIR-UHFFFAOYSA-N 2 0 361.490 0.777 20 0 FCADRP COc1cccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000581940540 491791122 /nfs/dbraw/zinc/79/11/22/491791122.db2.gz OYYOJLRAAQWXHH-ROUUACIJSA-N 2 0 374.485 0.817 20 0 FCADRP CNC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000591085547 491795850 /nfs/dbraw/zinc/79/58/50/491795850.db2.gz JIMKIFXJRXBFKD-UHFFFAOYSA-N 2 0 356.492 0.160 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000582057507 491796104 /nfs/dbraw/zinc/79/61/04/491796104.db2.gz PRUCIGDCHHUVRW-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)S(C)(=O)=O ZINC000582122847 491799081 /nfs/dbraw/zinc/79/90/81/491799081.db2.gz GVTQKLFVFAVPKU-XHSDSOJGSA-N 2 0 374.551 0.222 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000591354632 491803935 /nfs/dbraw/zinc/80/39/35/491803935.db2.gz HKZRAMHVPWFODG-QGZVFWFLSA-N 2 0 358.442 0.967 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000591413910 491805037 /nfs/dbraw/zinc/80/50/37/491805037.db2.gz ZIOWILHYSGQHJB-OWCLPIDISA-N 2 0 351.495 0.500 20 0 FCADRP Cn1c2ncn(CCN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291790 491805794 /nfs/dbraw/zinc/80/57/94/491805794.db2.gz VMRYVWYORHWMCH-UONOGXRCSA-N 2 0 360.462 0.040 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000582350609 491808782 /nfs/dbraw/zinc/80/87/82/491808782.db2.gz CFKFYRRUGPHNKC-QZTJIDSGSA-N 2 0 373.501 0.041 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000591586489 491809570 /nfs/dbraw/zinc/80/95/70/491809570.db2.gz MGCLHJUCZBEZOG-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP CSC1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH+](C)CC1 ZINC000582660647 491821564 /nfs/dbraw/zinc/82/15/64/491821564.db2.gz LDIXQIOXOXUKEX-LSDHHAIUSA-N 2 0 366.535 0.684 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668813 491821778 /nfs/dbraw/zinc/82/17/78/491821778.db2.gz MFMRLMFENJMCCJ-HDEZJCGLSA-N 2 0 363.506 0.606 20 0 FCADRP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000582670461 491822068 /nfs/dbraw/zinc/82/20/68/491822068.db2.gz YRVVBVAYKHPMPD-ZWKOTPCHSA-N 2 0 364.534 0.679 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CC(C)C ZINC000582976831 491834999 /nfs/dbraw/zinc/83/49/99/491834999.db2.gz UXYKILHHHPDOAE-XHSDSOJGSA-N 2 0 353.511 0.696 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253362 491840927 /nfs/dbraw/zinc/84/09/27/491840927.db2.gz QOZMQHSSSYHGMH-KBPBESRZSA-N 2 0 354.495 0.548 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000583257353 491840991 /nfs/dbraw/zinc/84/09/91/491840991.db2.gz BRAOBKQPNPGQGF-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262154 491841218 /nfs/dbraw/zinc/84/12/18/491841218.db2.gz UMRHEJGNBVJCBW-OXQOHEQNSA-N 2 0 359.470 0.919 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000583563317 491847551 /nfs/dbraw/zinc/84/75/51/491847551.db2.gz OYWBNQHNJCKXPW-MSOLQXFVSA-N 2 0 373.501 0.935 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000583629898 491848878 /nfs/dbraw/zinc/84/88/78/491848878.db2.gz RKRNCDRPXCWYDJ-CVEARBPZSA-N 2 0 362.478 0.267 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000583806719 491852370 /nfs/dbraw/zinc/85/23/70/491852370.db2.gz VEQIFZZNLVEIBW-KURKYZTESA-N 2 0 362.518 0.777 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 ZINC000583825915 491852766 /nfs/dbraw/zinc/85/27/66/491852766.db2.gz MCPWNGZAWSFYIB-QGZVFWFLSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000583823716 491852815 /nfs/dbraw/zinc/85/28/15/491852815.db2.gz FNILGCDXKJDVJB-JQFCIGGWSA-N 2 0 368.441 0.887 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000583859059 491853406 /nfs/dbraw/zinc/85/34/06/491853406.db2.gz YYFYWWZLIIXDJM-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP Cc1cc(Cn2nnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2C)on1 ZINC000583886088 491854209 /nfs/dbraw/zinc/85/42/09/491854209.db2.gz VBTIBBCPEISEGZ-UHFFFAOYSA-N 2 0 363.466 0.497 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000583897952 491854440 /nfs/dbraw/zinc/85/44/40/491854440.db2.gz TUOPTAJAVCRRRS-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583919919 491854698 /nfs/dbraw/zinc/85/46/98/491854698.db2.gz QTRUIAFYPZVPNH-LJQANCHMSA-N 2 0 360.458 0.907 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000583984587 491856002 /nfs/dbraw/zinc/85/60/02/491856002.db2.gz HGDQZBUEPZLHHW-SJORKVTESA-N 2 0 362.518 0.969 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000584014427 491856742 /nfs/dbraw/zinc/85/67/42/491856742.db2.gz NZWMHNYWAHANNT-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CO[C@H](C[NH3+])C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000584050009 491857243 /nfs/dbraw/zinc/85/72/43/491857243.db2.gz FCOLZFDMTNBIED-GOSISDBHSA-N 2 0 365.474 0.766 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3C[NH2+]CCN3C)c2)CC1 ZINC000584220013 491860819 /nfs/dbraw/zinc/86/08/19/491860819.db2.gz DNLXIUJJIQOZCU-GOSISDBHSA-N 2 0 360.506 0.854 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000584226086 491861034 /nfs/dbraw/zinc/86/10/34/491861034.db2.gz LIVHOLUZMWYDLR-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCN(c2ncccn2)CC1 ZINC000584295352 491862553 /nfs/dbraw/zinc/86/25/53/491862553.db2.gz ZTDLHAYRKUBPQS-IBGZPJMESA-N 2 0 358.490 0.591 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000584349040 491863549 /nfs/dbraw/zinc/86/35/49/491863549.db2.gz YYPLTPMSSWXXCL-OAFZBRQQSA-N 2 0 353.507 0.728 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594885712 491871249 /nfs/dbraw/zinc/87/12/49/491871249.db2.gz DHCCJRXMAGNCRF-QZTJIDSGSA-N 2 0 371.485 0.213 20 0 FCADRP c1cc2n(n1)C[C@H](C[NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CN2 ZINC000595145638 491889570 /nfs/dbraw/zinc/88/95/70/491889570.db2.gz MNZSRVXJEFPJMI-QGZVFWFLSA-N 2 0 370.505 0.907 20 0 FCADRP CCOCCN1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000601229901 491899854 /nfs/dbraw/zinc/89/98/54/491899854.db2.gz CUORQBFWBYUEGZ-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000612551760 491933856 /nfs/dbraw/zinc/93/38/56/491933856.db2.gz JPAMBEPCBSCEQO-OAGGEKHMSA-N 2 0 354.495 0.202 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612593880 491936162 /nfs/dbraw/zinc/93/61/62/491936162.db2.gz GBIXKYJFIFVQFI-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595057 491936810 /nfs/dbraw/zinc/93/68/10/491936810.db2.gz ITAROEVBKUOYPL-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@]1(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878749 491956518 /nfs/dbraw/zinc/95/65/18/491956518.db2.gz MNVJQSVKHYWGPA-XLIONFOSSA-N 2 0 373.501 0.935 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000595893124 491959771 /nfs/dbraw/zinc/95/97/71/491959771.db2.gz POKMZVYRMYTFPA-VYDXJSESSA-N 2 0 353.463 0.369 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000602531069 491992250 /nfs/dbraw/zinc/99/22/50/491992250.db2.gz XGTVRAFBUBXYCP-XQQFMLRXSA-N 2 0 356.348 0.476 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967151 492007592 /nfs/dbraw/zinc/00/75/92/492007592.db2.gz SOHBIMPCQQNSLQ-JYJNAYRXSA-N 2 0 354.495 0.996 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000604166423 492052480 /nfs/dbraw/zinc/05/24/80/492052480.db2.gz UEVRUKLUUYRQQH-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC000614866453 492061701 /nfs/dbraw/zinc/06/17/01/492061701.db2.gz WYFYQZDMXLOLHH-KRWDZBQOSA-N 2 0 372.469 0.767 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646634 492066270 /nfs/dbraw/zinc/06/62/70/492066270.db2.gz CRQPPDOAWMVGOJ-QZTJIDSGSA-N 2 0 367.538 0.422 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604654908 492066449 /nfs/dbraw/zinc/06/64/49/492066449.db2.gz WHHHCKSVALBYIO-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983455 492067351 /nfs/dbraw/zinc/06/73/51/492067351.db2.gz FQWPTXUNIYJCQI-HLTONANMSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000615091066 492072132 /nfs/dbraw/zinc/07/21/32/492072132.db2.gz XONGMRMRCFZPFI-HOTGVXAUSA-N 2 0 366.506 0.108 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000599356064 492164117 /nfs/dbraw/zinc/16/41/17/492164117.db2.gz UQJVXIBWJRCQIJ-XMTFNYHQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H]1CC(=O)NCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000608660450 492184437 /nfs/dbraw/zinc/18/44/37/492184437.db2.gz XYTDAUWIGDGXLS-INIZCTEOSA-N 2 0 374.489 0.514 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687413 492186545 /nfs/dbraw/zinc/18/65/45/492186545.db2.gz KKKPXKXKVCMDQW-SFHVURJKSA-N 2 0 367.538 0.567 20 0 FCADRP COC(=O)[C@@H]1CC12CC[NH+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)CC2 ZINC000610259360 492240229 /nfs/dbraw/zinc/24/02/29/492240229.db2.gz RCUYUKMXCLOUSZ-UONOGXRCSA-N 2 0 351.447 0.341 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000627461545 492305423 /nfs/dbraw/zinc/30/54/23/492305423.db2.gz SPJHWFVJRSEFCC-BPQIPLTHSA-N 2 0 358.486 0.976 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627468834 492308027 /nfs/dbraw/zinc/30/80/27/492308027.db2.gz FJYHQQUTXCTWBR-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000627472540 492310056 /nfs/dbraw/zinc/31/00/56/492310056.db2.gz SFABRFALCTUKRS-SJORKVTESA-N 2 0 366.506 0.206 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000627474486 492313016 /nfs/dbraw/zinc/31/30/16/492313016.db2.gz PEWDEBYFSPYGKQ-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CN(Cc1c[nH]cn1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841843 492318171 /nfs/dbraw/zinc/31/81/71/492318171.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 0 350.467 0.348 20 0 FCADRP CC[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000634226732 492327857 /nfs/dbraw/zinc/32/78/57/492327857.db2.gz CQVROADSMZURJA-SFHVURJKSA-N 2 0 373.501 0.724 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)[NH+](C)C)cc1 ZINC000642047389 492329392 /nfs/dbraw/zinc/32/93/92/492329392.db2.gz ITVRCWZJYFJIBX-NJAFHUGGSA-N 2 0 358.486 0.924 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642104453 492334722 /nfs/dbraw/zinc/33/47/22/492334722.db2.gz UNPXXTMSGFYWQM-OKZBNKHCSA-N 2 0 358.486 0.486 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195163 492340155 /nfs/dbraw/zinc/34/01/55/492340155.db2.gz BSWLJZKXCISICI-QKPAOTATSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCCCCC1 ZINC000642220483 492342534 /nfs/dbraw/zinc/34/25/34/492342534.db2.gz IHFSWWSSFWJNST-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642253637 492345252 /nfs/dbraw/zinc/34/52/52/492345252.db2.gz CHIUPFVOHPITNH-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000642332326 492352268 /nfs/dbraw/zinc/35/22/68/492352268.db2.gz CDQOLGPZGVBVTB-LAQRGFTBSA-N 2 0 374.485 0.513 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000642346542 492353352 /nfs/dbraw/zinc/35/33/52/492353352.db2.gz RBVZRGOTEWAEKY-IKGGRYGDSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000642489023 492359465 /nfs/dbraw/zinc/35/94/65/492359465.db2.gz VWNZMZXPYCCSJM-MFKMUULPSA-N 2 0 360.380 0.888 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000642540955 492362866 /nfs/dbraw/zinc/36/28/66/492362866.db2.gz RJZJRPPOPOZCMC-UHFFFAOYSA-N 2 0 364.515 0.945 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642550348 492363343 /nfs/dbraw/zinc/36/33/43/492363343.db2.gz AMASLAZCYGKHFV-QYZOEREBSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642550346 492363415 /nfs/dbraw/zinc/36/34/15/492363415.db2.gz AMASLAZCYGKHFV-FHWLQOOXSA-N 2 0 370.497 0.978 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640687 492368078 /nfs/dbraw/zinc/36/80/78/492368078.db2.gz ISOVKRBOMSCCRY-CADBVGFASA-N 2 0 370.497 0.963 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647834969 492368407 /nfs/dbraw/zinc/36/84/07/492368407.db2.gz HMEMDBXMTHLASM-UHFFFAOYSA-N 2 0 370.519 0.153 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000647831153 492368773 /nfs/dbraw/zinc/36/87/73/492368773.db2.gz HFNZMRRPFPNIJI-QKPAOTATSA-N 2 0 354.495 0.105 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000642708023 492376667 /nfs/dbraw/zinc/37/66/67/492376667.db2.gz LGPGIPTVLLUURS-CRAIPNDOSA-N 2 0 374.485 0.473 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000642725993 492380440 /nfs/dbraw/zinc/38/04/40/492380440.db2.gz XPRVABHVBUUPKR-MAUKXSAKSA-N 2 0 370.497 0.412 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)Cc2ccccc2C1 ZINC000642725994 492380962 /nfs/dbraw/zinc/38/09/62/492380962.db2.gz XPRVABHVBUUPKR-QAPCUYQASA-N 2 0 370.497 0.412 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]1 ZINC000642732674 492382765 /nfs/dbraw/zinc/38/27/65/492382765.db2.gz MKAGNOFFWRSHSN-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000642732948 492382823 /nfs/dbraw/zinc/38/28/23/492382823.db2.gz JALBVMHTCVCRDY-ROUUACIJSA-N 2 0 373.501 0.041 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000642732999 492383023 /nfs/dbraw/zinc/38/30/23/492383023.db2.gz PHPGPFKHQOBVNA-ROUUACIJSA-N 2 0 374.485 0.516 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000642732175 492383128 /nfs/dbraw/zinc/38/31/28/492383128.db2.gz RWDFJJRKVLNFLG-GOEBONIOSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642756710 492386288 /nfs/dbraw/zinc/38/62/88/492386288.db2.gz ZJGGVIZHSWINGA-RYQLBKOJSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642759508 492386991 /nfs/dbraw/zinc/38/69/91/492386991.db2.gz FVLRZRLXIMNJEP-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756644 492387126 /nfs/dbraw/zinc/38/71/26/492387126.db2.gz CXBSUFKPSIPVBX-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975912 492389638 /nfs/dbraw/zinc/38/96/38/492389638.db2.gz HNFKQVNCVBWULR-SZMVWBNQSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1F ZINC000642785705 492392060 /nfs/dbraw/zinc/39/20/60/492392060.db2.gz DTKSVHSVCRXCCP-UWWQBHOKSA-N 2 0 374.460 0.679 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642806197 492395643 /nfs/dbraw/zinc/39/56/43/492395643.db2.gz KEFWJZPIKIMEAD-CQSZACIVSA-N 2 0 354.495 0.250 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887404 492397361 /nfs/dbraw/zinc/39/73/61/492397361.db2.gz SZJGHUCNVLBFKR-RANZSIQMSA-N 2 0 374.460 0.822 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896485 492398199 /nfs/dbraw/zinc/39/81/99/492398199.db2.gz POTJQTFNWVXXJL-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902479 492399349 /nfs/dbraw/zinc/39/93/49/492399349.db2.gz TXXVBJCVTLPOFU-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000642902137 492399376 /nfs/dbraw/zinc/39/93/76/492399376.db2.gz LCFKLKGPOQSBTC-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000642908456 492401277 /nfs/dbraw/zinc/40/12/77/492401277.db2.gz SDGQBZRGMIOJOD-INIZCTEOSA-N 2 0 358.486 0.965 20 0 FCADRP O=C([C@@H]1C[NH2+]CCOC1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119103 492402238 /nfs/dbraw/zinc/40/22/38/492402238.db2.gz OMXPOFITFKUIJE-KGLIPLIRSA-N 2 0 350.488 0.850 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642917416 492403076 /nfs/dbraw/zinc/40/30/76/492403076.db2.gz HPVPGNHCSQSUGY-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919937 492404085 /nfs/dbraw/zinc/40/40/85/492404085.db2.gz OLUMBCPPSCSNBO-UHFFFAOYSA-N 2 0 358.486 0.978 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000642972206 492409429 /nfs/dbraw/zinc/40/94/29/492409429.db2.gz YGFVXICNARTYOE-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984285 492411170 /nfs/dbraw/zinc/41/11/70/492411170.db2.gz BXICLCQMLURPPB-NJAFHUGGSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000642982530 492411182 /nfs/dbraw/zinc/41/11/82/492411182.db2.gz WQIGIZVOVIMFKR-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000648178235 492413147 /nfs/dbraw/zinc/41/31/47/492413147.db2.gz HMFDHUXJLJYIJL-GJZGRUSLSA-N 2 0 351.495 0.498 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621838587 492421333 /nfs/dbraw/zinc/42/13/33/492421333.db2.gz GGSYZFBOOLFZQD-POORBHPNSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621838777 492422248 /nfs/dbraw/zinc/42/22/48/492422248.db2.gz JDJOICSSXUHRJX-CLCXKQKWSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655414473 492442015 /nfs/dbraw/zinc/44/20/15/492442015.db2.gz QTQRZECOCXLTEU-HOCLYGCPSA-N 2 0 352.460 0.252 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)CC2)c1 ZINC000622027836 492443182 /nfs/dbraw/zinc/44/31/82/492443182.db2.gz IHOUMLMLHVAFJA-LIRRHRJNSA-N 2 0 373.457 0.079 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000635487445 492457104 /nfs/dbraw/zinc/45/71/04/492457104.db2.gz OFCPKJPNRVOFNN-INIZCTEOSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000635483727 492457174 /nfs/dbraw/zinc/45/71/74/492457174.db2.gz BSCSGNUTGKSTDH-OAHLLOKOSA-N 2 0 354.495 0.048 20 0 FCADRP O=C(N1CCC([NH+]2CCOCC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628125896 492472256 /nfs/dbraw/zinc/47/22/56/492472256.db2.gz SNVZUTWGURRLHQ-NRFANRHFSA-N 2 0 373.497 0.947 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000643478979 492475083 /nfs/dbraw/zinc/47/50/83/492475083.db2.gz YBBXFEWEMRNQEL-HYVNUMGLSA-N 2 0 357.458 0.316 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000643483271 492476891 /nfs/dbraw/zinc/47/68/91/492476891.db2.gz DBNIETXEPGTBJH-RDJZCZTQSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000643481003 492477314 /nfs/dbraw/zinc/47/73/14/492477314.db2.gz XFTILKVROKMPII-CALCHBBNSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]1 ZINC000643483173 492477346 /nfs/dbraw/zinc/47/73/46/492477346.db2.gz XLOVFMRTKSSUQC-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000643484576 492478397 /nfs/dbraw/zinc/47/83/97/492478397.db2.gz BYLAJBRGLNMCGG-QGZVFWFLSA-N 2 0 358.486 0.850 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000643494671 492481717 /nfs/dbraw/zinc/48/17/17/492481717.db2.gz WZGNVIBVHOFLTQ-LSDHHAIUSA-N 2 0 354.495 0.141 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000643494215 492481989 /nfs/dbraw/zinc/48/19/89/492481989.db2.gz QTMRXSDRKJVNJC-QGZVFWFLSA-N 2 0 350.507 0.908 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000643503013 492483957 /nfs/dbraw/zinc/48/39/57/492483957.db2.gz YMEZVBDBDBDFFE-OWCLPIDISA-N 2 0 354.495 0.141 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509680 492484637 /nfs/dbraw/zinc/48/46/37/492484637.db2.gz JMVCAUAHKDXIQF-DLBZAZTESA-N 2 0 350.507 0.908 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000643511217 492485771 /nfs/dbraw/zinc/48/57/71/492485771.db2.gz SNACTVPLZIVBFI-HZPDHXFCSA-N 2 0 356.511 0.389 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCO1 ZINC000643516175 492487046 /nfs/dbraw/zinc/48/70/46/492487046.db2.gz WMXAZCSMGVIKJQ-XGHPGWEVSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000643532118 492492058 /nfs/dbraw/zinc/49/20/58/492492058.db2.gz NANKWYYAFNQBKR-ZBFHGGJFSA-N 2 0 354.495 0.141 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000643531887 492492085 /nfs/dbraw/zinc/49/20/85/492492085.db2.gz SRSJXPYXDWVKOG-GUDVDZBRSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000643531859 492492184 /nfs/dbraw/zinc/49/21/84/492492184.db2.gz QOGBIBJHEZVKRJ-NUJGCVRESA-N 2 0 358.486 0.928 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643560009 492498822 /nfs/dbraw/zinc/49/88/22/492498822.db2.gz DZPWJZVAIREGKE-UHFFFAOYSA-N 2 0 352.504 0.978 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)C1 ZINC000643590196 492501774 /nfs/dbraw/zinc/50/17/74/492501774.db2.gz DDHVKCJTLUZETE-FQEVSTJZSA-N 2 0 362.518 0.921 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000643592225 492502648 /nfs/dbraw/zinc/50/26/48/492502648.db2.gz JELSTSIQBAEBAM-GOSISDBHSA-N 2 0 358.486 0.930 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643594553 492503675 /nfs/dbraw/zinc/50/36/75/492503675.db2.gz PLMWLNKAWYCPLC-JKSUJKDBSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C2)C1 ZINC000643593934 492503820 /nfs/dbraw/zinc/50/38/20/492503820.db2.gz JOJPSHCUVKZJEV-SQGPQFPESA-N 2 0 374.460 0.633 20 0 FCADRP COC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635835871 492513729 /nfs/dbraw/zinc/51/37/29/492513729.db2.gz YBFQSPDGNJCKNZ-JYJNAYRXSA-N 2 0 354.495 0.202 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000649271467 492516582 /nfs/dbraw/zinc/51/65/82/492516582.db2.gz IIMDZBCNSXYSFL-LJQANCHMSA-N 2 0 360.502 0.641 20 0 FCADRP O=C(NCCCn1cncn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623158363 492522137 /nfs/dbraw/zinc/52/21/37/492522137.db2.gz AYEQEFNXCBQWQL-UHFFFAOYSA-N 2 0 372.477 0.575 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000649311549 492528653 /nfs/dbraw/zinc/52/86/53/492528653.db2.gz YWJXXIQFKCFSRH-OAHLLOKOSA-N 2 0 368.428 0.839 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649327692 492535519 /nfs/dbraw/zinc/53/55/19/492535519.db2.gz FCCYGUVZYZHLCB-HNNXBMFYSA-N 2 0 368.428 0.839 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)C[C@@H]1C ZINC000649340362 492538417 /nfs/dbraw/zinc/53/84/17/492538417.db2.gz UEDYAMQKRZKOFJ-QBYUYEEZSA-N 2 0 364.494 0.311 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)[C@H](C)C1 ZINC000649340837 492539290 /nfs/dbraw/zinc/53/92/90/492539290.db2.gz YQVZKCQIUQHWIK-YQFWSFKMSA-N 2 0 364.494 0.169 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649351708 492544619 /nfs/dbraw/zinc/54/46/19/492544619.db2.gz LDJLARWASIFPAA-ZDUSSCGKSA-N 2 0 356.434 0.212 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649353581 492547294 /nfs/dbraw/zinc/54/72/94/492547294.db2.gz NQYOHINOLRXHIB-GOSISDBHSA-N 2 0 366.550 0.877 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354742 492547355 /nfs/dbraw/zinc/54/73/55/492547355.db2.gz IOUZZWZIPNHPFN-NVXWUHKLSA-N 2 0 371.485 0.999 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000656104604 492552526 /nfs/dbraw/zinc/55/25/26/492552526.db2.gz SBEJYLDAQAJFEV-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000649410564 492552722 /nfs/dbraw/zinc/55/27/22/492552722.db2.gz IKQTUINLOIIMLA-IRXDYDNUSA-N 2 0 368.522 0.186 20 0 FCADRP COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[NH+](C)C)c1 ZINC000636473404 492595107 /nfs/dbraw/zinc/59/51/07/492595107.db2.gz ZOSBGQBVUWYXFZ-RDJZCZTQSA-N 2 0 350.463 0.664 20 0 FCADRP Nc1nc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nc(N)[nH+]1 ZINC000623911576 492605429 /nfs/dbraw/zinc/60/54/29/492605429.db2.gz GKIZHXQFCHYMGB-AWEZNQCLSA-N 2 0 369.477 0.130 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000636536443 492613207 /nfs/dbraw/zinc/61/32/07/492613207.db2.gz ICFSESIKFXYKPR-MRXNPFEDSA-N 2 0 350.463 0.493 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)C1 ZINC000656449063 492622650 /nfs/dbraw/zinc/62/26/50/492622650.db2.gz XNPPIYNEAAZAEI-KRWDZBQOSA-N 2 0 364.494 0.251 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665025 492653906 /nfs/dbraw/zinc/65/39/06/492653906.db2.gz YTMCYZINTRMMBV-YOEHRIQHSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000644152291 492654227 /nfs/dbraw/zinc/65/42/27/492654227.db2.gz RLJJHAYEXQQNFT-LJQANCHMSA-N 2 0 365.522 0.666 20 0 FCADRP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CCOCC[NH3+] ZINC000629580044 492656546 /nfs/dbraw/zinc/65/65/46/492656546.db2.gz SFUIUYWAVQAXED-CABCVRRESA-N 2 0 351.447 0.580 20 0 FCADRP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629581283 492656610 /nfs/dbraw/zinc/65/66/10/492656610.db2.gz UWORMYSRKWIMHO-CVEARBPZSA-N 2 0 355.504 0.790 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629579444 492656827 /nfs/dbraw/zinc/65/68/27/492656827.db2.gz NXPVRUVETIKOPY-HNNXBMFYSA-N 2 0 350.463 0.336 20 0 FCADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707091 492664042 /nfs/dbraw/zinc/66/40/42/492664042.db2.gz YICJULYDGDLHNG-GBESFXJTSA-N 2 0 374.533 0.947 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644291251 492693022 /nfs/dbraw/zinc/69/30/22/492693022.db2.gz UXIMSOMOHXXKSQ-ZACQAIPSSA-N 2 0 367.538 0.299 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cn(C2CC2)nn1 ZINC000624950965 492701644 /nfs/dbraw/zinc/70/16/44/492701644.db2.gz ITBFPBYLCJGABT-UHFFFAOYSA-N 2 0 355.446 0.950 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CC[N@@H+]1C ZINC000636843760 492707368 /nfs/dbraw/zinc/70/73/68/492707368.db2.gz MIWGLSZTCRFHEX-IIDMSEBBSA-N 2 0 354.495 0.384 20 0 FCADRP COC1(CS(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CCOCC1 ZINC000657071713 492709071 /nfs/dbraw/zinc/70/90/71/492709071.db2.gz SPBVWKKMQLFHHU-HNNXBMFYSA-N 2 0 365.540 0.373 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630588250 492754817 /nfs/dbraw/zinc/75/48/17/492754817.db2.gz BIGKZTQYNOGGNI-SFHVURJKSA-N 2 0 350.511 0.601 20 0 FCADRP CC(C)C[N@H+](CCN(C)C)CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000630610621 492755652 /nfs/dbraw/zinc/75/56/52/492755652.db2.gz OCJHNQSFGMRULW-UHFFFAOYSA-N 2 0 351.543 0.545 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439644 492757850 /nfs/dbraw/zinc/75/78/50/492757850.db2.gz RXYPCLOBHOYUCN-HKUYNNGSSA-N 2 0 370.538 0.976 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H](C[NH3+])Cc3ccccc32)nn1 ZINC000630705682 492767542 /nfs/dbraw/zinc/76/75/42/492767542.db2.gz GMCOAWNPLYPEBI-DHSIGJKJSA-N 2 0 370.457 0.144 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000630825448 492777791 /nfs/dbraw/zinc/77/77/91/492777791.db2.gz HBEXZHLZNMIBIA-MHGIMSBQSA-N 2 0 360.502 0.718 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc2c1OCCCO2 ZINC000651548722 492778683 /nfs/dbraw/zinc/77/86/83/492778683.db2.gz HZGMFUXIFXEBSN-UHFFFAOYSA-N 2 0 371.503 0.962 20 0 FCADRP COc1ccccc1[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000644512839 492780963 /nfs/dbraw/zinc/78/09/63/492780963.db2.gz SGWHLGFOVHNTHO-SJLPKXTDSA-N 2 0 350.507 0.496 20 0 FCADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000631247576 492806085 /nfs/dbraw/zinc/80/60/85/492806085.db2.gz YYFDOCHKBQEDHN-GOSISDBHSA-N 3 0 362.522 0.685 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000657874431 492808000 /nfs/dbraw/zinc/80/80/00/492808000.db2.gz RSVKXJPJUTXVTF-QGZVFWFLSA-N 2 0 371.485 0.675 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000637376747 492816641 /nfs/dbraw/zinc/81/66/41/492816641.db2.gz NNTKIGUKVLMJEQ-CVEARBPZSA-N 2 0 351.495 0.596 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000657975522 492824117 /nfs/dbraw/zinc/82/41/17/492824117.db2.gz VCGRJIPBXQHKEA-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000651845316 492833131 /nfs/dbraw/zinc/83/31/31/492833131.db2.gz IWYBKYUSDOYBDC-OAHLLOKOSA-N 2 0 350.467 0.324 20 0 FCADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000631742966 492846697 /nfs/dbraw/zinc/84/66/97/492846697.db2.gz JQNLXFMQPULYAP-IAGOWNOFSA-N 2 0 360.568 0.806 20 0 FCADRP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830215 492859151 /nfs/dbraw/zinc/85/91/51/492859151.db2.gz MMHNHONSLNUFTE-GJZGRUSLSA-N 2 0 356.478 0.778 20 0 FCADRP O=C(CCN1CCC([NH2+]CCO)CC1)N1CCN(c2ccccn2)CC1 ZINC000631864204 492865607 /nfs/dbraw/zinc/86/56/07/492865607.db2.gz JMRBTCCSBZTDGA-UHFFFAOYSA-N 3 0 361.490 0.167 20 0 FCADRP O=C(CN1CCC([NH2+]CCO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000631863410 492865845 /nfs/dbraw/zinc/86/58/45/492865845.db2.gz VTIBLIDOVXACPM-UHFFFAOYSA-N 2 0 374.529 0.945 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631901308 492873565 /nfs/dbraw/zinc/87/35/65/492873565.db2.gz YJHQMJDNOFFTJS-MRXNPFEDSA-N 2 0 370.519 0.252 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000645183657 492876474 /nfs/dbraw/zinc/87/64/74/492876474.db2.gz LRXXHOWMKDSKNZ-KGLIPLIRSA-N 2 0 350.488 0.869 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652149230 492887266 /nfs/dbraw/zinc/88/72/66/492887266.db2.gz XDBRUBWYALIKFC-KXBFYZLASA-N 2 0 365.522 0.700 20 0 FCADRP CCCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000645305419 492890333 /nfs/dbraw/zinc/89/03/33/492890333.db2.gz RMDIQUGTMFBNCW-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631941139 492892852 /nfs/dbraw/zinc/89/28/52/492892852.db2.gz OXBCXEBRMGQPQW-SJORKVTESA-N 2 0 358.552 0.275 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631941138 492893032 /nfs/dbraw/zinc/89/30/32/492893032.db2.gz OXBCXEBRMGQPQW-IRXDYDNUSA-N 2 0 358.552 0.275 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)C2)C1 ZINC000652195564 492894663 /nfs/dbraw/zinc/89/46/63/492894663.db2.gz YFEAGLCUPALTOP-GVDBMIGSSA-N 2 0 354.495 0.637 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000638064138 492898853 /nfs/dbraw/zinc/89/88/53/492898853.db2.gz RWJOQKJFMHSOKD-CALCHBBNSA-N 2 0 360.502 0.817 20 0 FCADRP COc1cc(CNC(=O)CN2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000638075277 492901106 /nfs/dbraw/zinc/90/11/06/492901106.db2.gz DERCUTSXSBNLNR-UHFFFAOYSA-N 2 0 350.463 0.157 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000638089680 492903509 /nfs/dbraw/zinc/90/35/09/492903509.db2.gz CRPQGBSEAKIYJL-ACJLOTCBSA-N 2 0 362.430 0.862 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638099886 492905619 /nfs/dbraw/zinc/90/56/19/492905619.db2.gz WDKNTDDXZUCQCM-UHFFFAOYSA-N 2 0 372.513 0.887 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000652292422 492907752 /nfs/dbraw/zinc/90/77/52/492907752.db2.gz POFMFIXYFYHTDL-UHFFFAOYSA-N 2 0 356.430 0.572 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000632017261 492911392 /nfs/dbraw/zinc/91/13/92/492911392.db2.gz SBZGZCLTEOPHIA-KRWDZBQOSA-N 2 0 358.552 0.371 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000632022389 492912716 /nfs/dbraw/zinc/91/27/16/492912716.db2.gz IQILLGUFWMWQLO-KRWDZBQOSA-N 2 0 355.504 0.495 20 0 FCADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348599 492913117 /nfs/dbraw/zinc/91/31/17/492913117.db2.gz JUXLDSGVPCFAOW-JYJNAYRXSA-N 2 0 363.524 0.161 20 0 FCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652348862 492913203 /nfs/dbraw/zinc/91/32/03/492913203.db2.gz UFZOGYWJDVBASS-YYIAUSFCSA-N 2 0 359.536 0.876 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348464 492913699 /nfs/dbraw/zinc/91/36/99/492913699.db2.gz FGWABOUVCDHGQU-XSLAGTTESA-N 2 0 352.523 0.757 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348164 492913782 /nfs/dbraw/zinc/91/37/82/492913782.db2.gz WGJJZDMOODWHLC-DRRXZNNHSA-N 2 0 366.506 0.317 20 0 FCADRP CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632046221 492919190 /nfs/dbraw/zinc/91/91/90/492919190.db2.gz DBWIRMFPMIEIMQ-QGZVFWFLSA-N 2 0 360.568 0.617 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638221086 492923266 /nfs/dbraw/zinc/92/32/66/492923266.db2.gz VOYWPLKPOPRDNT-CABCVRRESA-N 2 0 374.407 0.517 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658520870 492924741 /nfs/dbraw/zinc/92/47/41/492924741.db2.gz AARHMEXEZJVHLU-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000652463671 492939610 /nfs/dbraw/zinc/93/96/10/492939610.db2.gz PPPLWIGDOKVCIT-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486868 492955298 /nfs/dbraw/zinc/95/52/98/492955298.db2.gz YJVXIZQCEVWOKU-QGZVFWFLSA-N 2 0 357.458 0.390 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255375 492958351 /nfs/dbraw/zinc/95/83/51/492958351.db2.gz QNCUKKQCPASEGS-SJORKVTESA-N 2 0 360.568 0.664 20 0 FCADRP COc1ccncc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652627096 492972773 /nfs/dbraw/zinc/97/27/73/492972773.db2.gz RDSHNBQEKJZNCW-ZENOOKHLSA-N 2 0 362.430 0.774 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638727688 492973035 /nfs/dbraw/zinc/97/30/35/492973035.db2.gz IUEJGLSMUJQGHW-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000638748240 492975071 /nfs/dbraw/zinc/97/50/71/492975071.db2.gz PTFQPCVNZZPSLA-QGZVFWFLSA-N 2 0 354.458 0.750 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000638855703 492982139 /nfs/dbraw/zinc/98/21/39/492982139.db2.gz HUQRLONJIAZAHD-XJKSGUPXSA-N 2 0 374.489 0.302 20 0 FCADRP C[C@H](CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[C@H]1CCC[NH2+]C1 ZINC000638856800 492982529 /nfs/dbraw/zinc/98/25/29/492982529.db2.gz UAEVVWZBOXHDMH-VYDXJSESSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)C1=O ZINC000638856254 492982554 /nfs/dbraw/zinc/98/25/54/492982554.db2.gz LTAUYLPNEFXMSS-NVXWUHKLSA-N 2 0 374.489 0.233 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc4c(s3)CC[NH2+]C4)CC2)C1=O ZINC000638856642 492982702 /nfs/dbraw/zinc/98/27/02/492982702.db2.gz QCQQMRULFYCRNU-AWEZNQCLSA-N 2 0 362.499 0.819 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCCO1 ZINC000652669160 492983047 /nfs/dbraw/zinc/98/30/47/492983047.db2.gz XORIZTYUKZUHMQ-OAHLLOKOSA-N 2 0 354.495 0.191 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652670544 492984061 /nfs/dbraw/zinc/98/40/61/492984061.db2.gz VVUJVIJQQAWLCD-YKTARERQSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(Cc1cccc(F)c1)NCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987448 492990311 /nfs/dbraw/zinc/99/03/11/492990311.db2.gz JFOSYQWAOIANBB-UHFFFAOYSA-N 2 0 371.416 0.928 20 0 FCADRP CS(=O)(=O)CC1(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000638986593 492990593 /nfs/dbraw/zinc/99/05/93/492990593.db2.gz VAIUTJHXJPRZBG-UHFFFAOYSA-N 2 0 352.460 0.645 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCO2)CC1 ZINC000645941045 492990597 /nfs/dbraw/zinc/99/05/97/492990597.db2.gz FGZURZGJJYZYJH-FDIDQYAWSA-N 2 0 364.534 0.615 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000652690645 492991245 /nfs/dbraw/zinc/99/12/45/492991245.db2.gz KYZYMIJBMGWMIC-UHFFFAOYSA-N 2 0 366.506 0.254 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693221 492992252 /nfs/dbraw/zinc/99/22/52/492992252.db2.gz PPEBSOJPAZSLQL-YESZJQIVSA-N 2 0 368.522 0.579 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646009425 493000179 /nfs/dbraw/zinc/00/01/79/493000179.db2.gz JCBUXMYUJHSKOM-OKZBNKHCSA-N 2 0 350.507 0.145 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000652724872 493004538 /nfs/dbraw/zinc/00/45/38/493004538.db2.gz OTQSJDQQKGIFAB-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000632539432 493024569 /nfs/dbraw/zinc/02/45/69/493024569.db2.gz HNHJEKAVZVNPQF-SJORKVTESA-N 2 0 358.552 0.560 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683491 493030447 /nfs/dbraw/zinc/03/04/47/493030447.db2.gz ZYLDYYXHINHVSB-JKSUJKDBSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639849631 493055634 /nfs/dbraw/zinc/05/56/34/493055634.db2.gz PWLBXVYFQCCSMT-JVSBHGNQSA-N 2 0 364.486 0.322 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH+](C)C)o1 ZINC000658792692 493056862 /nfs/dbraw/zinc/05/68/62/493056862.db2.gz GVHUYHYCLCNBHO-UHFFFAOYSA-N 2 0 352.479 0.888 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626971963 493071930 /nfs/dbraw/zinc/07/19/30/493071930.db2.gz CUNBMSXETSKIQY-HZSPNIEDSA-N 2 0 365.444 0.791 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626975501 493072599 /nfs/dbraw/zinc/07/25/99/493072599.db2.gz YACKFCSVHSWPJC-YNEHKIRRSA-N 2 0 351.417 0.401 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC[NH+](C)CC1 ZINC000626982127 493074904 /nfs/dbraw/zinc/07/49/04/493074904.db2.gz AWZPWGYSDFUIAT-OAHLLOKOSA-N 2 0 366.510 0.069 20 0 FCADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638642 493076782 /nfs/dbraw/zinc/07/67/82/493076782.db2.gz MNWLUGWRRPZOHL-NVXWUHKLSA-N 2 0 374.489 0.092 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000646666682 493081787 /nfs/dbraw/zinc/08/17/87/493081787.db2.gz WZJCPFDQTSSPIF-ROUUACIJSA-N 2 0 373.501 0.607 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000653260064 493086969 /nfs/dbraw/zinc/08/69/69/493086969.db2.gz BWGSCSYUPFWOJT-WCVJEAGWSA-N 2 0 352.479 0.132 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653260798 493087102 /nfs/dbraw/zinc/08/71/02/493087102.db2.gz LGPRJRXKBVZYCK-KURKYZTESA-N 2 0 352.523 0.901 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653260800 493087470 /nfs/dbraw/zinc/08/74/70/493087470.db2.gz LGPRJRXKBVZYCK-RCCFBDPRSA-N 2 0 352.523 0.901 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000627113462 493088958 /nfs/dbraw/zinc/08/89/58/493088958.db2.gz ASHFKOIGZIZJNS-CKEIUWERSA-N 2 0 368.428 0.776 20 0 FCADRP Cn1cc(Br)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000640313914 493093826 /nfs/dbraw/zinc/09/38/26/493093826.db2.gz VJXFOIYTXLIIMT-UHFFFAOYSA-N 2 0 361.288 1.140 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000633041274 493109025 /nfs/dbraw/zinc/10/90/25/493109025.db2.gz VGUYIMPYXWGETB-NEPJUHHUSA-N 2 0 352.410 0.653 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259662 493121874 /nfs/dbraw/zinc/12/18/74/493121874.db2.gz XHBHHQHJWCPJRE-VQTJNVASSA-N 2 0 372.513 0.715 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1=O ZINC000633106576 493128852 /nfs/dbraw/zinc/12/88/52/493128852.db2.gz VLZPFKRIYFZZPZ-HRCADAONSA-N 2 0 354.495 0.155 20 0 FCADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000633115744 493132714 /nfs/dbraw/zinc/13/27/14/493132714.db2.gz WLCWEENBDXEXSF-BBTUJRGHSA-N 2 0 368.481 0.684 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000627292834 493136851 /nfs/dbraw/zinc/13/68/51/493136851.db2.gz FBIXQFPLQFOFQN-QZTJIDSGSA-N 2 0 360.502 0.732 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000627296668 493139631 /nfs/dbraw/zinc/13/96/31/493139631.db2.gz OJYZDOLQZDYSQJ-CGZBRXJRSA-N 2 0 366.506 0.250 20 0 FCADRP CCCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646984081 493142031 /nfs/dbraw/zinc/14/20/31/493142031.db2.gz IKHUMLKOVJQBCZ-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000627324953 493153691 /nfs/dbraw/zinc/15/36/91/493153691.db2.gz UKSXYWUUQOPXIB-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP CCCN(C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647076123 493158095 /nfs/dbraw/zinc/15/80/95/493158095.db2.gz NPQPHGGRTHCYKH-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627334535 493158832 /nfs/dbraw/zinc/15/88/32/493158832.db2.gz TXCQWWLGHSFDBO-HOCLYGCPSA-N 2 0 352.479 0.004 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344841 493165137 /nfs/dbraw/zinc/16/51/37/493165137.db2.gz SICBKWCBUSIQGR-QGZVFWFLSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000653687174 493169063 /nfs/dbraw/zinc/16/90/63/493169063.db2.gz HSMAQJFTCOAHTB-PMACEKPBSA-N 2 0 374.529 0.636 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627356580 493173163 /nfs/dbraw/zinc/17/31/63/493173163.db2.gz KOFSYVZYSLGALZ-CGTJXYLNSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000659446930 493180639 /nfs/dbraw/zinc/18/06/39/493180639.db2.gz VTXDVJOOTTVQBW-CYBMUJFWSA-N 2 0 370.457 0.887 20 0 FCADRP CN(Cc1c(F)cccc1F)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659318647 493190205 /nfs/dbraw/zinc/19/02/05/493190205.db2.gz UGFFEXMVFFLBKP-UHFFFAOYSA-N 2 0 370.444 0.875 20 0 FCADRP CCO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C ZINC000659318511 493190312 /nfs/dbraw/zinc/19/03/12/493190312.db2.gz INHUWCODXKFMAO-HOTGVXAUSA-N 2 0 356.511 0.212 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000627382925 493192385 /nfs/dbraw/zinc/19/23/85/493192385.db2.gz NOPWIRPXBZMEMJ-UHFFFAOYSA-N 2 0 368.522 0.583 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659490626 493195162 /nfs/dbraw/zinc/19/51/62/493195162.db2.gz ZIQIHUPKEFACHZ-HNNXBMFYSA-N 2 0 370.457 0.962 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388253 493195628 /nfs/dbraw/zinc/19/56/28/493195628.db2.gz PKBGUROBWDSCCZ-NVXWUHKLSA-N 2 0 362.474 0.199 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659584797 493216666 /nfs/dbraw/zinc/21/66/66/493216666.db2.gz MLJDKOMZIYCPPW-NUJGCVRESA-N 2 0 352.454 0.883 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000672695785 493234495 /nfs/dbraw/zinc/23/44/95/493234495.db2.gz HWZKCADPQCKZQN-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000666927122 493238764 /nfs/dbraw/zinc/23/87/64/493238764.db2.gz GNPQCVLHZDEXMB-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979323 493245373 /nfs/dbraw/zinc/24/53/73/493245373.db2.gz TYBWCRACPFKBGF-XDNAFOTISA-N 2 0 366.506 0.527 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659682082 493249220 /nfs/dbraw/zinc/24/92/20/493249220.db2.gz GSEKUBAKDKRORP-HZPDHXFCSA-N 2 0 368.522 0.627 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659687690 493253203 /nfs/dbraw/zinc/25/32/03/493253203.db2.gz XSSWEZCKOIQFMJ-UHFFFAOYSA-N 2 0 362.474 0.631 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000659690356 493255234 /nfs/dbraw/zinc/25/52/34/493255234.db2.gz RVGAFTPJNLVYCW-CYBMUJFWSA-N 2 0 350.438 0.630 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659695085 493258012 /nfs/dbraw/zinc/25/80/12/493258012.db2.gz RHTMYORUNGRGHF-UWWQBHOKSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000659701281 493261388 /nfs/dbraw/zinc/26/13/88/493261388.db2.gz CVXWMBRVAPCTJK-ZBFHGGJFSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659710572 493267073 /nfs/dbraw/zinc/26/70/73/493267073.db2.gz RCFHOYLAWGXYTP-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000641658817 493270722 /nfs/dbraw/zinc/27/07/22/493270722.db2.gz OIZHGZOCWQTONB-CQSZACIVSA-N 2 0 365.444 0.806 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666517 493272450 /nfs/dbraw/zinc/27/24/50/493272450.db2.gz FQJVZKCQSJLGBY-ROUUACIJSA-N 2 0 352.523 0.774 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659727508 493275070 /nfs/dbraw/zinc/27/50/70/493275070.db2.gz GRNIIYLHDUVTBB-UHFFFAOYSA-N 2 0 361.490 0.606 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000641668793 493275147 /nfs/dbraw/zinc/27/51/47/493275147.db2.gz DJGCNMSXSGSXDW-AEFFLSMTSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659730292 493276911 /nfs/dbraw/zinc/27/69/11/493276911.db2.gz RTEFWVJCQUNSEW-OAHLLOKOSA-N 2 0 359.474 0.230 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659738644 493279832 /nfs/dbraw/zinc/27/98/32/493279832.db2.gz HIWJPFLJLDEZQT-ULQDDVLXSA-N 2 0 366.506 0.332 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000659739377 493280639 /nfs/dbraw/zinc/28/06/39/493280639.db2.gz RZCHIBBBNIQBHZ-IXDOHACOSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000667398354 493282068 /nfs/dbraw/zinc/28/20/68/493282068.db2.gz PKVHOJFRUQKFGU-YJBOKZPZSA-N 2 0 374.485 0.838 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000659751326 493285880 /nfs/dbraw/zinc/28/58/80/493285880.db2.gz GNXNGMHFCQSENS-AWEZNQCLSA-N 2 0 350.463 0.310 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750512 493286163 /nfs/dbraw/zinc/28/61/63/493286163.db2.gz CLUSSCMWCJUTGV-NVXWUHKLSA-N 2 0 361.490 0.619 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659754252 493286497 /nfs/dbraw/zinc/28/64/97/493286497.db2.gz CJNDESXTELWJRO-WMLDXEAASA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659756477 493287124 /nfs/dbraw/zinc/28/71/24/493287124.db2.gz RBQSBWUZQUOOSE-PBHICJAKSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(O)cc(=O)[nH]1 ZINC000667680675 493296288 /nfs/dbraw/zinc/29/62/88/493296288.db2.gz NSHJJCXSCKPGAQ-UHFFFAOYSA-N 2 0 357.414 0.830 20 0 FCADRP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1C/C=C\C[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539062 493306824 /nfs/dbraw/zinc/30/68/24/493306824.db2.gz VLPWRAUKYJJIRT-YZMBWLAVSA-N 2 0 360.502 0.714 20 0 FCADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673299469 493314130 /nfs/dbraw/zinc/31/41/30/493314130.db2.gz DSKVKJFNPXMHNJ-HZPDHXFCSA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170754 493332137 /nfs/dbraw/zinc/33/21/37/493332137.db2.gz FWPILKXWYHUPTN-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170759 493332217 /nfs/dbraw/zinc/33/22/17/493332217.db2.gz FWPILKXWYHUPTN-SJORKVTESA-N 2 0 366.506 0.252 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000668526240 493371301 /nfs/dbraw/zinc/37/13/01/493371301.db2.gz BQXKZIIPNZGZRU-SUMWQHHRSA-N 2 0 356.536 0.529 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000660693056 493373055 /nfs/dbraw/zinc/37/30/55/493373055.db2.gz VIWWSROTRBCGQI-UHFFFAOYSA-N 2 0 354.539 0.659 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668546261 493374193 /nfs/dbraw/zinc/37/41/93/493374193.db2.gz WVYNFSVZBIRKIN-MSOLQXFVSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668546447 493374253 /nfs/dbraw/zinc/37/42/53/493374253.db2.gz ZTZGRKSNHRGLTP-BBWFWOEESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982733 493379587 /nfs/dbraw/zinc/37/95/87/493379587.db2.gz NKFKNXDOTXCHEP-AEFFLSMTSA-N 2 0 369.579 0.845 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000669072082 493460743 /nfs/dbraw/zinc/46/07/43/493460743.db2.gz ZKCKNNSMKARKCY-GOSISDBHSA-N 2 0 372.513 0.802 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000675194228 493472884 /nfs/dbraw/zinc/47/28/84/493472884.db2.gz PEXHQTNQJQLSAI-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661985757 493481185 /nfs/dbraw/zinc/48/11/85/493481185.db2.gz XLZVXRVJKGEWPQ-NVXWUHKLSA-N 2 0 368.522 0.726 20 0 FCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000662272058 493501835 /nfs/dbraw/zinc/50/18/35/493501835.db2.gz CFLRJGNAXMCHQW-OAHLLOKOSA-N 2 0 353.488 0.782 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662291179 493503692 /nfs/dbraw/zinc/50/36/92/493503692.db2.gz CQHZLFIRTWVDNW-ROUUACIJSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298999 493504544 /nfs/dbraw/zinc/50/45/44/493504544.db2.gz ZDKNVTWVZUVYDO-RHSMWYFYSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669462501 493505234 /nfs/dbraw/zinc/50/52/34/493505234.db2.gz QHJWDHQJUSYQLV-QAPCUYQASA-N 2 0 364.490 0.927 20 0 FCADRP O=C(CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N1CC[NH2+]CC1 ZINC000662327265 493506691 /nfs/dbraw/zinc/50/66/91/493506691.db2.gz LKSDKZZZYRQOEH-UHFFFAOYSA-N 3 0 374.533 0.878 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491031 493507321 /nfs/dbraw/zinc/50/73/21/493507321.db2.gz IZHFMLWNBKDIAV-HOTGVXAUSA-N 2 0 351.495 0.500 20 0 FCADRP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337597 493507641 /nfs/dbraw/zinc/50/76/41/493507641.db2.gz LUOQFZRUUKUXTM-IAGOWNOFSA-N 2 0 362.522 0.719 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337671 493507684 /nfs/dbraw/zinc/50/76/84/493507684.db2.gz NAGVYSYNJRMFQK-CVEARBPZSA-N 3 0 360.506 0.520 20 0 FCADRP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338480 493508128 /nfs/dbraw/zinc/50/81/28/493508128.db2.gz SASAQAYKUXIJRN-IAGOWNOFSA-N 2 0 362.522 0.719 20 0 FCADRP COc1cccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCCC2)c1 ZINC000662343336 493508547 /nfs/dbraw/zinc/50/85/47/493508547.db2.gz ORVCTMFETMYTNP-QGZVFWFLSA-N 2 0 358.446 0.812 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000662402118 493512880 /nfs/dbraw/zinc/51/28/80/493512880.db2.gz XFMWROCNOUJKDZ-WFASDCNBSA-N 2 0 362.396 0.199 20 0 FCADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662402140 493512933 /nfs/dbraw/zinc/51/29/33/493512933.db2.gz YBTFNPQTQSZLLL-CYBMUJFWSA-N 2 0 362.499 0.678 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC1 ZINC000662453414 493516742 /nfs/dbraw/zinc/51/67/42/493516742.db2.gz YBBPVGIEVSSNGP-CQSZACIVSA-N 2 0 364.494 0.740 20 0 FCADRP C[C@@H]([NH2+]C1(CNC(=O)c2cn(CC[NH3+])nn2)CCOCC1)c1ccccc1 ZINC000662461102 493518090 /nfs/dbraw/zinc/51/80/90/493518090.db2.gz ZTABLBOTBLDMFR-OAHLLOKOSA-N 2 0 372.473 0.867 20 0 FCADRP Cc1c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662467746 493518635 /nfs/dbraw/zinc/51/86/35/493518635.db2.gz ZVIGRJZFZWKGPR-MRXNPFEDSA-N 2 0 362.478 0.305 20 0 FCADRP COc1cc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000662691692 493532165 /nfs/dbraw/zinc/53/21/65/493532165.db2.gz LMHBDIJBGGBJAI-PBHICJAKSA-N 2 0 351.447 0.616 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662714792 493534264 /nfs/dbraw/zinc/53/42/64/493534264.db2.gz BNERZIRVIUFLEM-HNNXBMFYSA-N 2 0 364.412 0.541 20 0 FCADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662724672 493535446 /nfs/dbraw/zinc/53/54/46/493535446.db2.gz SGVWLGBULJCPDD-QZTJIDSGSA-N 2 0 374.485 0.492 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662724671 493535535 /nfs/dbraw/zinc/53/55/35/493535535.db2.gz SGVWLGBULJCPDD-MSOLQXFVSA-N 2 0 374.485 0.492 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734562 493535757 /nfs/dbraw/zinc/53/57/57/493535757.db2.gz RGHDVRFZWLYLIC-HIFRSBDPSA-N 2 0 364.412 0.051 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734564 493536049 /nfs/dbraw/zinc/53/60/49/493536049.db2.gz RGHDVRFZWLYLIC-UKRRQHHQSA-N 2 0 364.412 0.051 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662755496 493539011 /nfs/dbraw/zinc/53/90/11/493539011.db2.gz CFOJIKNKILHBEW-RBUKOAKNSA-N 2 0 360.502 0.804 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676307218 493544641 /nfs/dbraw/zinc/54/46/41/493544641.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 2 0 369.554 0.763 20 0 FCADRP O=C(N1CCC[C@H]([NH+]2CCOCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662833616 493545301 /nfs/dbraw/zinc/54/53/01/493545301.db2.gz SVWMNQRWQMBOKM-KRWDZBQOSA-N 2 0 361.490 0.675 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836938 493545814 /nfs/dbraw/zinc/54/58/14/493545814.db2.gz IPYVIZVOSMFXAH-UONOGXRCSA-N 2 0 362.478 0.459 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000662859843 493547485 /nfs/dbraw/zinc/54/74/85/493547485.db2.gz SUEQNMMMRCEEKG-SFHVURJKSA-N 2 0 373.501 0.750 20 0 FCADRP O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000662887566 493549643 /nfs/dbraw/zinc/54/96/43/493549643.db2.gz JPKONAMLBXERED-KRWDZBQOSA-N 2 0 358.486 0.693 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927811 493554879 /nfs/dbraw/zinc/55/48/79/493554879.db2.gz GCMAPWWUPNGQQA-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000662930387 493555380 /nfs/dbraw/zinc/55/53/80/493555380.db2.gz PNXIALLLKXLCNJ-UHFFFAOYSA-N 2 0 360.502 0.961 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000662949219 493559390 /nfs/dbraw/zinc/55/93/90/493559390.db2.gz AOCKODQFUHZLHQ-GOSISDBHSA-N 2 0 358.486 0.584 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000662949220 493559521 /nfs/dbraw/zinc/55/95/21/493559521.db2.gz AOCKODQFUHZLHQ-SFHVURJKSA-N 2 0 358.486 0.584 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000662951548 493559900 /nfs/dbraw/zinc/55/99/00/493559900.db2.gz LSNDDAHCRGJTJE-RXVVDRJESA-N 2 0 372.513 0.959 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000662954361 493560640 /nfs/dbraw/zinc/56/06/40/493560640.db2.gz UUQGBWFVHCLIKC-LJQANCHMSA-N 2 0 372.513 0.972 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662954219 493560676 /nfs/dbraw/zinc/56/06/76/493560676.db2.gz SXMVTPAQIGVTBY-QXAKKESOSA-N 2 0 372.513 0.958 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662972181 493562403 /nfs/dbraw/zinc/56/24/03/493562403.db2.gz ANUSNDSQVUHSFY-OALUTQOASA-N 2 0 372.513 0.972 20 0 FCADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016840 493566783 /nfs/dbraw/zinc/56/67/83/493566783.db2.gz GHLIODCZUGSYMJ-HZPDHXFCSA-N 2 0 372.517 0.915 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000677129007 493585574 /nfs/dbraw/zinc/58/55/74/493585574.db2.gz KAGHKVMMCXOSJJ-MSOLQXFVSA-N 2 0 370.501 0.804 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000663416732 493587893 /nfs/dbraw/zinc/58/78/93/493587893.db2.gz PYSIKBSDGSRWII-KRWDZBQOSA-N 2 0 363.506 0.951 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670709290 493589305 /nfs/dbraw/zinc/58/93/05/493589305.db2.gz SYAHCIHQLDAJDC-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000677237423 493593033 /nfs/dbraw/zinc/59/30/33/493593033.db2.gz GWRPFXBJYMBXAF-SJORKVTESA-N 2 0 358.490 0.732 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCC(C)CC1 ZINC000663848700 493621201 /nfs/dbraw/zinc/62/12/01/493621201.db2.gz LWAFDWUWBZBMJI-MRXNPFEDSA-N 2 0 355.527 0.768 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671099209 493632783 /nfs/dbraw/zinc/63/27/83/493632783.db2.gz AEZRFJHVGBNEIA-BZSNNMDCSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104568 493634733 /nfs/dbraw/zinc/63/47/33/493634733.db2.gz WEPMBMPKUBKBLT-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000671105622 493634749 /nfs/dbraw/zinc/63/47/49/493634749.db2.gz SMTFOVNYNZWMGF-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000664141314 493639580 /nfs/dbraw/zinc/63/95/80/493639580.db2.gz MSMSTWWYPYXQBS-QAETUUGQSA-N 2 0 356.511 0.440 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671365613 493660819 /nfs/dbraw/zinc/66/08/19/493660819.db2.gz IVUDAKMYWYURDF-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000671418965 493669321 /nfs/dbraw/zinc/66/93/21/493669321.db2.gz KEZKRJNUKVDDEM-SFHVURJKSA-N 2 0 358.486 0.930 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000664743726 493681077 /nfs/dbraw/zinc/68/10/77/493681077.db2.gz FNPJYEFKSINTAL-UHFFFAOYSA-N 2 0 355.527 0.770 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000664815612 493684795 /nfs/dbraw/zinc/68/47/95/493684795.db2.gz QPYHYDTWQSDANM-QGZVFWFLSA-N 2 0 367.538 0.253 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000665232845 493705814 /nfs/dbraw/zinc/70/58/14/493705814.db2.gz VZHQAIBCXYFTJK-SKWUIDRYSA-N 2 0 352.475 0.957 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(C)CC1 ZINC000671872965 493709861 /nfs/dbraw/zinc/70/98/61/493709861.db2.gz NCBBEASTIKUHKG-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000672008863 493724154 /nfs/dbraw/zinc/72/41/54/493724154.db2.gz CPBKLUZUSLINLW-CQSZACIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1CC[NH+](C)CC1 ZINC000672012779 493725025 /nfs/dbraw/zinc/72/50/25/493725025.db2.gz WJDOJSJBINTSRD-USXIJHARSA-N 2 0 350.507 0.776 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000672166178 493740030 /nfs/dbraw/zinc/74/00/30/493740030.db2.gz YEQWTBCOXGPDGL-QGZVFWFLSA-N 2 0 368.522 0.593 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304755 493752341 /nfs/dbraw/zinc/75/23/41/493752341.db2.gz JITJHQNYUDNULW-ROUUACIJSA-N 2 0 362.518 0.777 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672312510 493755528 /nfs/dbraw/zinc/75/55/28/493755528.db2.gz UQHJQSWWLXXAAU-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000666239012 493763751 /nfs/dbraw/zinc/76/37/51/493763751.db2.gz MUMBWALSGQFJSW-INIZCTEOSA-N 2 0 350.467 0.508 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423616399 536466356 /nfs/dbraw/zinc/46/63/56/536466356.db2.gz SAHSBJKLEJONJR-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000410429772 528147835 /nfs/dbraw/zinc/14/78/35/528147835.db2.gz DGLSLIZEYHSPJM-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410812172 528433579 /nfs/dbraw/zinc/43/35/79/528433579.db2.gz SXCMIMZXKSXDHD-KRWDZBQOSA-N 2 0 368.522 0.357 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000411027618 529074829 /nfs/dbraw/zinc/07/48/29/529074829.db2.gz OVASTLAAWKZIOJ-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446364779 535042400 /nfs/dbraw/zinc/04/24/00/535042400.db2.gz UTDRWSNQFKMNFQ-YIOZNXECSA-N 2 0 351.491 0.700 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419688442 535071342 /nfs/dbraw/zinc/07/13/42/535071342.db2.gz AQAJMHNFOVLMLV-IXDOHACOSA-N 2 0 350.507 0.681 20 0 FCADRP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000419749150 535188235 /nfs/dbraw/zinc/18/82/35/535188235.db2.gz GOQITMPZGCFNRM-HNNXBMFYSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415338699 535205459 /nfs/dbraw/zinc/20/54/59/535205459.db2.gz ZQQNRHKHAWZCMX-INIZCTEOSA-N 2 0 359.474 0.634 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419958705 535305277 /nfs/dbraw/zinc/30/52/77/535305277.db2.gz QDWGRLDMHMDIHY-HZPDHXFCSA-N 2 0 354.495 0.047 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000415362471 535464359 /nfs/dbraw/zinc/46/43/59/535464359.db2.gz BNGMWIAUYUKEEQ-UHFFFAOYSA-N 2 0 361.490 0.801 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423524298 535543150 /nfs/dbraw/zinc/54/31/50/535543150.db2.gz ODXXGJIBGXILFN-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000423619179 535548942 /nfs/dbraw/zinc/54/89/42/535548942.db2.gz HZOKJOFNTWYXRC-CVEARBPZSA-N 2 0 354.495 0.286 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988455 535553310 /nfs/dbraw/zinc/55/33/10/535553310.db2.gz XOLZUASLISWEPG-YKTARERQSA-N 2 0 350.507 0.763 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419824368 535710490 /nfs/dbraw/zinc/71/04/90/535710490.db2.gz MRAUMLQYQBEXPK-ZACQAIPSSA-N 2 0 367.538 0.010 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419666752 535839564 /nfs/dbraw/zinc/83/95/64/535839564.db2.gz WJMJCDQPEVOYCQ-CALCHBBNSA-N 2 0 374.485 0.311 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419660043 535901954 /nfs/dbraw/zinc/90/19/54/535901954.db2.gz KJRKZKDSAWGSJU-MRXNPFEDSA-N 2 0 362.474 0.235 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000419664078 535902546 /nfs/dbraw/zinc/90/25/46/535902546.db2.gz QXLHGSHDTSXANY-UHFFFAOYSA-N 2 0 362.474 0.108 20 0 FCADRP Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2[NH3+])cn1 ZINC000424390751 536018920 /nfs/dbraw/zinc/01/89/20/536018920.db2.gz LFPDZICLCIVMLY-DLBZAZTESA-N 2 0 363.487 0.597 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419410210 536100591 /nfs/dbraw/zinc/10/05/91/536100591.db2.gz OHCPIKIVOBZKSL-QZTJIDSGSA-N 2 0 358.486 0.889 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000419405897 536122573 /nfs/dbraw/zinc/12/25/73/536122573.db2.gz ICPQMUYJNAWLFZ-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000446373640 536342521 /nfs/dbraw/zinc/34/25/21/536342521.db2.gz WDVUKPUJFRWPGQ-INIZCTEOSA-N 2 0 361.446 0.829 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000423455944 536367702 /nfs/dbraw/zinc/36/77/02/536367702.db2.gz GFRMCATXYZHVKP-SJLPKXTDSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000419688146 536368574 /nfs/dbraw/zinc/36/85/74/536368574.db2.gz ZQFCHEUUZSTMLA-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000419657278 536368781 /nfs/dbraw/zinc/36/87/81/536368781.db2.gz JMZOQMXBPATUMD-RYQLBKOJSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419176165 536417143 /nfs/dbraw/zinc/41/71/43/536417143.db2.gz YWBNVPCACRJQFU-ROUUACIJSA-N 2 0 358.486 0.488 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000419758123 536417167 /nfs/dbraw/zinc/41/71/67/536417167.db2.gz DMRBOVPTZUHENX-ROUUACIJSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000415313960 536417649 /nfs/dbraw/zinc/41/76/49/536417649.db2.gz FMJHTSJCIBPKSD-KRWDZBQOSA-N 2 0 373.501 0.976 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419835711 536433166 /nfs/dbraw/zinc/43/31/66/536433166.db2.gz AOZFQZYJAYUHJL-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423657725 536449294 /nfs/dbraw/zinc/44/92/94/536449294.db2.gz ZPBFNDCXJRDKBS-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419759226 536481668 /nfs/dbraw/zinc/48/16/68/536481668.db2.gz GMZPRVKRQOLUPG-OTWHNJEPSA-N 2 0 370.497 0.691 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419752183 536747080 /nfs/dbraw/zinc/74/70/80/536747080.db2.gz LTBMHAVUGDEXJL-HOCLYGCPSA-N 2 0 368.522 0.578 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419676334 536781165 /nfs/dbraw/zinc/78/11/65/536781165.db2.gz LOWAMKGQTDGAAC-DLBZAZTESA-N 2 0 362.474 0.024 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000592492514 546649424 /nfs/dbraw/zinc/64/94/24/546649424.db2.gz UXCKQXFRCNHWEU-YPMHNXCESA-N 2 0 366.384 0.593 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594099368 546773872 /nfs/dbraw/zinc/77/38/72/546773872.db2.gz HMVZMVKNYFHSSK-INIZCTEOSA-N 2 0 353.511 0.746 20 0 FCADRP CC1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000418505090 546906641 /nfs/dbraw/zinc/90/66/41/546906641.db2.gz CAFZUGPEEFUQMB-GFCCVEGCSA-N 2 0 351.417 0.511 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000458717208 546929118 /nfs/dbraw/zinc/92/91/18/546929118.db2.gz LKEBRCUJFXFILX-BBWFWOEESA-N 2 0 356.511 0.584 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000458717209 546929264 /nfs/dbraw/zinc/92/92/64/546929264.db2.gz LKEBRCUJFXFILX-IXDOHACOSA-N 2 0 356.511 0.584 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330386 547082425 /nfs/dbraw/zinc/08/24/25/547082425.db2.gz AXOMSMAAIQAZCT-ZBFHGGJFSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784066 547105099 /nfs/dbraw/zinc/10/50/99/547105099.db2.gz COVHWFVMADGHHH-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835718 547110031 /nfs/dbraw/zinc/11/00/31/547110031.db2.gz MCTBGMKJPCQISV-YJBOKZPZSA-N 2 0 370.563 0.777 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCSC1 ZINC000550839281 547111538 /nfs/dbraw/zinc/11/15/38/547111538.db2.gz SOHOTASVYDUEGV-GOSISDBHSA-N 2 0 370.563 0.921 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000550957730 547117312 /nfs/dbraw/zinc/11/73/12/547117312.db2.gz NJVKSNUCUUMNPC-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000551210836 547133902 /nfs/dbraw/zinc/13/39/02/547133902.db2.gz ABDPSOSVZBVLAH-PBHICJAKSA-N 2 0 356.536 0.340 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551214905 547134040 /nfs/dbraw/zinc/13/40/40/547134040.db2.gz IPIUEMVUZSDVSS-PBHICJAKSA-N 2 0 356.536 0.531 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278640 547138931 /nfs/dbraw/zinc/13/89/31/547138931.db2.gz SUNCQULNCJQMLE-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000552364059 547204921 /nfs/dbraw/zinc/20/49/21/547204921.db2.gz UBCNKMBHNMQVDN-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000552623803 547219718 /nfs/dbraw/zinc/21/97/18/547219718.db2.gz GTPRGLCRNGAWFF-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@@H](C)C1 ZINC000553264219 547263167 /nfs/dbraw/zinc/26/31/67/547263167.db2.gz IBLNTGZENHDOGD-HNNXBMFYSA-N 2 0 367.519 0.548 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000553367729 547273379 /nfs/dbraw/zinc/27/33/79/547273379.db2.gz YQZVVPKWJPFWKI-HUUCEWRRSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000950386323 674426551 /nfs/dbraw/zinc/42/65/51/674426551.db2.gz OKHVGUUDXHQPLU-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735618537 598522454 /nfs/dbraw/zinc/52/24/54/598522454.db2.gz OMELTEZZWQOJRW-GFCCVEGCSA-N 2 0 359.482 0.957 20 0 FCADRP C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)CN1CC[NH+](C)CC1 ZINC000736025779 599488600 /nfs/dbraw/zinc/48/86/00/599488600.db2.gz NEEMOHCNEIWSGF-AWEZNQCLSA-N 2 0 369.477 0.488 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000954410815 674496829 /nfs/dbraw/zinc/49/68/29/674496829.db2.gz KJBHZBAQSCURGO-RHSMWYFYSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000954412421 674496854 /nfs/dbraw/zinc/49/68/54/674496854.db2.gz HXQRXJOOKJRBTG-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480523 606860533 /nfs/dbraw/zinc/86/05/33/606860533.db2.gz LMLSGKKUSQXCML-KDOFPFPSSA-N 2 0 374.489 0.925 20 0 FCADRP CN(CC[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000826023027 608418278 /nfs/dbraw/zinc/41/82/78/608418278.db2.gz VZSWPKDZLYQALD-GOSISDBHSA-N 2 0 373.505 0.858 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000989393773 665745329 /nfs/dbraw/zinc/74/53/29/665745329.db2.gz VMOXOHRCDYAJPR-YVSFHVDLSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778904 665772421 /nfs/dbraw/zinc/77/24/21/665772421.db2.gz JBXOVKYSYDAKDJ-CABCVRRESA-N 2 0 354.495 0.155 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000990004754 665837525 /nfs/dbraw/zinc/83/75/25/665837525.db2.gz JVQLHYGCYWICJB-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CC[NH+](C)CC1 ZINC000090081307 663386230 /nfs/dbraw/zinc/38/62/30/663386230.db2.gz UGJPSAYGLOUXPI-AWEZNQCLSA-N 2 0 369.535 0.893 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022105226 663404668 /nfs/dbraw/zinc/40/46/68/663404668.db2.gz VKHRDKQJIZLEMQ-DGADGQDISA-N 2 0 357.520 0.388 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891481791 663408909 /nfs/dbraw/zinc/40/89/09/663408909.db2.gz GYQSGSJNHKENQE-BZUAXINKSA-N 2 0 353.511 0.746 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891564447 663415400 /nfs/dbraw/zinc/41/54/00/663415400.db2.gz NHCQFJKASLZYJX-SJORKVTESA-N 2 0 353.511 0.306 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000891563501 663415769 /nfs/dbraw/zinc/41/57/69/663415769.db2.gz IBWYZVPXBNJPMK-INIZCTEOSA-N 2 0 353.511 0.306 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891781329 663436263 /nfs/dbraw/zinc/43/62/63/663436263.db2.gz YWLSHORHGITXOB-MRXNPFEDSA-N 2 0 356.511 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847038 663444304 /nfs/dbraw/zinc/44/43/04/663444304.db2.gz DKZRAYYJZKPBSD-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCCC1 ZINC000891977974 663460445 /nfs/dbraw/zinc/46/04/45/663460445.db2.gz YOKMDUUQBBRSIV-MJBXVCDLSA-N 2 0 351.451 0.225 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891980447 663461093 /nfs/dbraw/zinc/46/10/93/663461093.db2.gz VJYIOMGNQMONDI-IAGOWNOFSA-N 2 0 353.511 0.082 20 0 FCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892090091 663475045 /nfs/dbraw/zinc/47/50/45/663475045.db2.gz CMRFLJFHRMSDJT-GJZGRUSLSA-N 2 0 351.495 0.500 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926356246 663479793 /nfs/dbraw/zinc/47/97/93/663479793.db2.gz JGNCBHCKSHKLRA-OAHLLOKOSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892135153 663480816 /nfs/dbraw/zinc/48/08/16/663480816.db2.gz MYXXKTYNNFIYNF-IAGOWNOFSA-N 2 0 355.527 0.600 20 0 FCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892161026 663483789 /nfs/dbraw/zinc/48/37/89/663483789.db2.gz YOPRPNDQSJRABM-YJNKXOJESA-N 2 0 351.451 0.095 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC000972737862 663856267 /nfs/dbraw/zinc/85/62/67/663856267.db2.gz KVGAUBWAFACSEC-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000892648553 664059028 /nfs/dbraw/zinc/05/90/28/664059028.db2.gz FGIOPKNXHMUATN-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973332114 664099765 /nfs/dbraw/zinc/09/97/65/664099765.db2.gz HHPFZKCFXJUPGY-HHARLNAUSA-N 2 0 350.507 0.964 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892756766 664137146 /nfs/dbraw/zinc/13/71/46/664137146.db2.gz RVTKGMRREQVPLP-INIZCTEOSA-N 2 0 354.495 0.555 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892758596 664137172 /nfs/dbraw/zinc/13/71/72/664137172.db2.gz GEUDOPIPMHXAAL-GJZGRUSLSA-N 2 0 354.495 0.290 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO[C@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818444 664195389 /nfs/dbraw/zinc/19/53/89/664195389.db2.gz RDELBAPLDHPGDN-JEWKUQAESA-N 2 0 359.417 0.176 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000974189070 664226783 /nfs/dbraw/zinc/22/67/83/664226783.db2.gz CFSWRJCMZODDFC-ZOFXXKQRSA-N 2 0 350.507 0.822 20 0 FCADRP Cc1nonc1C[NH2+]C1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001026514591 664239402 /nfs/dbraw/zinc/23/94/02/664239402.db2.gz KLINRVJFWQVBGL-JIFUTNICSA-N 2 0 351.451 0.614 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21)[NH+](C)C ZINC000975856369 664355589 /nfs/dbraw/zinc/35/55/89/664355589.db2.gz KNLXXVCAWHMOHI-NXOAAHMSSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccns4)C[C@H]32)O1 ZINC000978319081 664435126 /nfs/dbraw/zinc/43/51/26/664435126.db2.gz IXLUVBMCEIZSBL-CSOUEMRRSA-N 2 0 350.488 0.656 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000978881104 664448274 /nfs/dbraw/zinc/44/82/74/664448274.db2.gz OOSPDEDXHJQQLE-VVLHAWIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000978869505 664448463 /nfs/dbraw/zinc/44/84/63/664448463.db2.gz FUNOBQATRRXVDC-OVYGPGRDSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000979857531 664464872 /nfs/dbraw/zinc/46/48/72/664464872.db2.gz ONDWSIAXLPTSRO-ZHCJQAHYSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000979857624 664465010 /nfs/dbraw/zinc/46/50/10/664465010.db2.gz CYQOBILPLJICCU-SMLCLMEVSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001027894777 664472790 /nfs/dbraw/zinc/47/27/90/664472790.db2.gz PZGVHWXABJUAIU-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283458 664864178 /nfs/dbraw/zinc/86/41/78/664864178.db2.gz SPNXIKXBECABDC-HIGHGGLBSA-N 2 0 350.507 0.761 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C[C@H]2C1 ZINC000893739469 664872928 /nfs/dbraw/zinc/87/29/28/664872928.db2.gz BCIBADZUXNZJRQ-CIRFHOKZSA-N 2 0 350.507 0.957 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001028549549 664901610 /nfs/dbraw/zinc/90/16/10/664901610.db2.gz BAPNZEVWKPLJJE-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894163736 664902020 /nfs/dbraw/zinc/90/20/20/664902020.db2.gz GQGNDYMXDOYLGB-DLBZAZTESA-N 2 0 356.511 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000982897385 664933034 /nfs/dbraw/zinc/93/30/34/664933034.db2.gz LUCXTKAJXSTSGF-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP CCc1noc([C@@H](C)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000261973529 664962851 /nfs/dbraw/zinc/96/28/51/664962851.db2.gz BNHXHXNXBLMHEV-CQSZACIVSA-N 2 0 350.467 0.133 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728450796 665146538 /nfs/dbraw/zinc/14/65/38/665146538.db2.gz HSTNJOVUWVAVRD-INIZCTEOSA-N 2 0 367.563 0.585 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1cccs1 ZINC000418822795 674689646 /nfs/dbraw/zinc/68/96/46/674689646.db2.gz BFDQYTYKRKLRQN-DYVFJYSZSA-N 2 0 350.488 0.822 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1)[NH+](C)C ZINC000986689983 665225539 /nfs/dbraw/zinc/22/55/39/665225539.db2.gz LLHVJNFDEMMHMP-QZWWFDLISA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)CC[N@@H+]1C ZINC000988319174 665285086 /nfs/dbraw/zinc/28/50/86/665285086.db2.gz FXFOFHTVZYFHBX-SRABZTEZSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000897458549 665289430 /nfs/dbraw/zinc/28/94/30/665289430.db2.gz AVDMEQZIJSBSJO-MRXNPFEDSA-N 2 0 353.511 0.620 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000905356300 666018462 /nfs/dbraw/zinc/01/84/62/666018462.db2.gz MTBCVGVXFRJPFC-QGZVFWFLSA-N 2 0 372.579 0.664 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000907041436 666088578 /nfs/dbraw/zinc/08/85/78/666088578.db2.gz AALROIVZTPKBGO-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198647 666193589 /nfs/dbraw/zinc/19/35/89/666193589.db2.gz AXQJSVGOHNAGPU-ROUUACIJSA-N 2 0 352.523 0.460 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908204023 666194630 /nfs/dbraw/zinc/19/46/30/666194630.db2.gz UDOWBSXPVYABTG-OPQOLIRYSA-N 2 0 351.491 0.545 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000910985405 666301990 /nfs/dbraw/zinc/30/19/90/666301990.db2.gz XNRQVURGOQXGLC-XHSDSOJGSA-N 2 0 350.507 0.953 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159049 666382384 /nfs/dbraw/zinc/38/23/84/666382384.db2.gz BSOZNUZSWWKCOP-HNNXBMFYSA-N 2 0 355.552 0.522 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000921362337 666439733 /nfs/dbraw/zinc/43/97/33/666439733.db2.gz JOEGOWXRSKQXNU-HNNXBMFYSA-N 2 0 353.511 0.616 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880545 666530891 /nfs/dbraw/zinc/53/08/91/666530891.db2.gz QOWDNFHCHWUKDY-HLLBOEOZSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001030328608 666573747 /nfs/dbraw/zinc/57/37/47/666573747.db2.gz PJFXSOZMEPHDGI-OLMNPRSZSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000992158372 666621010 /nfs/dbraw/zinc/62/10/10/666621010.db2.gz ZABMUQVAOYKUMY-RKHAHWSXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000942437068 666728580 /nfs/dbraw/zinc/72/85/80/666728580.db2.gz KOCRASIGDWRTFW-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000943268405 666767878 /nfs/dbraw/zinc/76/78/78/666767878.db2.gz BEBLDZASBVLBIR-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827329 666891511 /nfs/dbraw/zinc/89/15/11/666891511.db2.gz UVSWALXSPYOJMG-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827328 666891597 /nfs/dbraw/zinc/89/15/97/666891597.db2.gz UVSWALXSPYOJMG-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)c1nc(CNC(=O)[C@@H]2CC[NH+](C)C2)cs1 ZINC000732911748 666909736 /nfs/dbraw/zinc/90/97/36/666909736.db2.gz GWIZWIQAXVXVAA-CHWSQXEVSA-N 2 0 365.503 0.626 20 0 FCADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2)[NH+](C)C ZINC000996558561 666936229 /nfs/dbraw/zinc/93/62/29/666936229.db2.gz BHMLDKIFYGMMMG-MUQADHOPSA-N 2 0 350.507 0.917 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734282621 666960976 /nfs/dbraw/zinc/96/09/76/666960976.db2.gz ORSWOURGTQUCSR-KRWDZBQOSA-N 2 0 356.511 0.849 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)[NH+](C)C ZINC000994336960 667021069 /nfs/dbraw/zinc/02/10/69/667021069.db2.gz ZUDXJLZCDCNQFD-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+]1CCC(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000920307074 667234617 /nfs/dbraw/zinc/23/46/17/667234617.db2.gz QQTDZTDXMHBCSZ-UHFFFAOYSA-N 2 0 362.547 0.892 20 0 FCADRP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679109 667260000 /nfs/dbraw/zinc/26/00/00/667260000.db2.gz INFIGGFLDCNMQG-OLMNPRSZSA-N 2 0 353.507 0.816 20 0 FCADRP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679110 667260015 /nfs/dbraw/zinc/26/00/15/667260015.db2.gz INFIGGFLDCNMQG-QGTPRVQTSA-N 2 0 353.507 0.816 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001034647444 667762014 /nfs/dbraw/zinc/76/20/14/667762014.db2.gz IFVPSNDXSRRNJP-KLHDSHLOSA-N 2 0 351.495 0.369 20 0 FCADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923307238 667823199 /nfs/dbraw/zinc/82/31/99/667823199.db2.gz QHFJVYBYCGEKLM-ALOPSCKCSA-N 2 0 372.535 0.102 20 0 FCADRP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc(OC)c1OC ZINC000923486005 667840531 /nfs/dbraw/zinc/84/05/31/667840531.db2.gz AWJLWODCKDDJDE-CYBMUJFWSA-N 2 0 351.447 0.999 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923535200 667845801 /nfs/dbraw/zinc/84/58/01/667845801.db2.gz ZJJANZDRPQUKAK-PKOBYXMFSA-N 2 0 352.523 0.677 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)C2C[NH2+]C2)cc1OC ZINC000923592198 667854036 /nfs/dbraw/zinc/85/40/36/667854036.db2.gz QXVORDQVYIMKNO-UHFFFAOYSA-N 2 0 371.503 0.807 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001006183438 667856443 /nfs/dbraw/zinc/85/64/43/667856443.db2.gz KNRJVYPUJMZVTF-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524800 668005268 /nfs/dbraw/zinc/00/52/68/668005268.db2.gz KVXXQEVTXJGNGB-LBPRGKRZSA-N 2 0 354.480 0.351 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000743304022 668046470 /nfs/dbraw/zinc/04/64/70/668046470.db2.gz YFKDTPOWTIXRMI-KRWDZBQOSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000777757792 668337213 /nfs/dbraw/zinc/33/72/13/668337213.db2.gz ZPVIBHRPQNWZFG-OAHLLOKOSA-N 2 0 358.483 0.043 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC000963344245 674981617 /nfs/dbraw/zinc/98/16/17/674981617.db2.gz KJLLBUGGCHAAKL-RDHHWEPZSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000799125479 669282592 /nfs/dbraw/zinc/28/25/92/669282592.db2.gz FZCOIZIGTNOBIH-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804048875 669353508 /nfs/dbraw/zinc/35/35/08/669353508.db2.gz ABZLISOHJSJUEA-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483898 669703244 /nfs/dbraw/zinc/70/32/44/669703244.db2.gz FHIKXIGRCRQVHD-QZTJIDSGSA-N 2 0 352.523 0.772 20 0 FCADRP CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000830768210 669804482 /nfs/dbraw/zinc/80/44/82/669804482.db2.gz ZSXQRYXTBAIPOI-MRXNPFEDSA-N 2 0 370.519 0.159 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000834792246 669975354 /nfs/dbraw/zinc/97/53/54/669975354.db2.gz HRUTZJPWEOMCPO-MDCZIUGASA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817936754 670049217 /nfs/dbraw/zinc/04/92/17/670049217.db2.gz VGZDANCGGPFGDR-IBGZPJMESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCNS(=O)(=O)c1cccc(-c2noc(CCC[NH3+])n2)c1 ZINC000843202685 670779846 /nfs/dbraw/zinc/77/98/46/670779846.db2.gz LPXGPJBWEMADIN-UHFFFAOYSA-N 2 0 367.475 0.858 20 0 FCADRP C[NH2+]Cc1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000843203944 670780220 /nfs/dbraw/zinc/78/02/20/670780220.db2.gz ZLSJCXNIRFXZIL-UHFFFAOYSA-N 2 0 353.448 0.686 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC([NH3+])CC1 ZINC000843353855 670804423 /nfs/dbraw/zinc/80/44/23/670804423.db2.gz NGJHPKOZZNQUMF-UHFFFAOYSA-N 2 0 354.476 0.864 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCCc3cc(C[NH3+])ccc32)CC[NH2+]CC1 ZINC000844160855 670902648 /nfs/dbraw/zinc/90/26/48/670902648.db2.gz MRZLEZXDEALFEP-UHFFFAOYSA-N 2 0 351.472 0.591 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000845946382 671055339 /nfs/dbraw/zinc/05/53/39/671055339.db2.gz KMCOQYBOEQTPIL-SUMWQHHRSA-N 2 0 358.483 0.014 20 0 FCADRP C[NH+](C)[C@H]1CCCN(CCS(=O)(=O)CCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000109805534 671431948 /nfs/dbraw/zinc/43/19/48/671431948.db2.gz WMHJFVUCIWPMHB-ROUUACIJSA-N 2 0 374.595 0.453 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852063883 671484641 /nfs/dbraw/zinc/48/46/41/671484641.db2.gz SZBWARRHIFKCGG-BRWVUGGUSA-N 2 0 352.479 0.402 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000852748765 671523234 /nfs/dbraw/zinc/52/32/34/671523234.db2.gz CQQCJQXUFJBZRS-HNNXBMFYSA-N 2 0 352.479 0.751 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC001049483530 675950532 /nfs/dbraw/zinc/95/05/32/675950532.db2.gz YITVSDGBAXFMAC-YLFCFFPRSA-N 2 0 350.507 0.870 20 0 FCADRP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756825 675968491 /nfs/dbraw/zinc/96/84/91/675968491.db2.gz WGXCLQSTQXMMDR-HZPDHXFCSA-N 2 0 357.520 0.645 20 0 FCADRP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724411 675964085 /nfs/dbraw/zinc/96/40/85/675964085.db2.gz NFHIRKRSWJABHM-JKSUJKDBSA-N 2 0 359.536 0.939 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000863764572 672151490 /nfs/dbraw/zinc/15/14/90/672151490.db2.gz DTHSAEZBPHBUHH-CQSZACIVSA-N 2 0 350.463 0.391 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863834850 672159150 /nfs/dbraw/zinc/15/91/50/672159150.db2.gz NORPVMPZMGMWBU-KBPBESRZSA-N 2 0 358.483 0.014 20 0 FCADRP [NH3+][C@H]1CCN(c2cccc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)n2)C1 ZINC000864797282 672210674 /nfs/dbraw/zinc/21/06/74/672210674.db2.gz VPHDQNZKJYELEF-AAEUAGOBSA-N 2 0 354.405 0.415 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865449656 672243025 /nfs/dbraw/zinc/24/30/25/672243025.db2.gz YPXBVFPUGIVBGE-FUHWJXTLSA-N 2 0 350.511 0.820 20 0 FCADRP C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000865932646 672256392 /nfs/dbraw/zinc/25/63/92/672256392.db2.gz XTVOHAFXBSZUAQ-OKILXGFUSA-N 2 0 360.449 0.538 20 0 FCADRP C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000865932645 672256466 /nfs/dbraw/zinc/25/64/66/672256466.db2.gz XTVOHAFXBSZUAQ-KBPBESRZSA-N 2 0 360.449 0.538 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000865942801 672257319 /nfs/dbraw/zinc/25/73/19/672257319.db2.gz CFSWBCHIRBTFRV-XJFOESAGSA-N 2 0 360.449 0.820 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883356 672515917 /nfs/dbraw/zinc/51/59/17/672515917.db2.gz UKNXCPXPPWRBOK-CYBMUJFWSA-N 2 0 351.520 0.976 20 0 FCADRP CNC(=O)[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162549 676051708 /nfs/dbraw/zinc/05/17/08/676051708.db2.gz YSKDKTPQNUNCDR-IJEWVQPXSA-N 2 0 350.507 0.822 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C1/SCC(=O)N1C ZINC000874266294 672771773 /nfs/dbraw/zinc/77/17/73/672771773.db2.gz IOOWMBWWMPEBGS-MPMPPSQCSA-N 2 0 354.520 0.908 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001001418891 676071143 /nfs/dbraw/zinc/07/11/43/676071143.db2.gz PBMYIQRAGKRCOV-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876526258 672961795 /nfs/dbraw/zinc/96/17/95/672961795.db2.gz RMOPAAGOVVHCAW-UHFFFAOYSA-N 2 0 351.520 0.896 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877015927 672993661 /nfs/dbraw/zinc/99/36/61/672993661.db2.gz GCLIJLIJWFOOGG-HNNXBMFYSA-N 2 0 354.520 0.697 20 0 FCADRP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624581 676107159 /nfs/dbraw/zinc/10/71/59/676107159.db2.gz RTWFJBVFCISRTC-FVQBIDKESA-N 2 0 350.463 0.894 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001052394611 676122908 /nfs/dbraw/zinc/12/29/08/676122908.db2.gz ZECGYXBDVYOYKX-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883139473 673367809 /nfs/dbraw/zinc/36/78/09/673367809.db2.gz NPFCPENVHQAKHH-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP COC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000883228788 673369219 /nfs/dbraw/zinc/36/92/19/673369219.db2.gz UPERFIFDGCHZIN-QZTJIDSGSA-N 2 0 355.523 0.814 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883710434 673392200 /nfs/dbraw/zinc/39/22/00/673392200.db2.gz KUUCSAYCJXSZMO-UHFFFAOYSA-N 2 0 354.495 0.651 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000883898206 673402163 /nfs/dbraw/zinc/40/21/63/673402163.db2.gz VNMZLUBFDVLAJA-QGZVFWFLSA-N 2 0 356.511 0.849 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884289691 673444371 /nfs/dbraw/zinc/44/43/71/673444371.db2.gz HOYCBLSALLWKSQ-HUUCEWRRSA-N 2 0 367.291 0.955 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413253 673452164 /nfs/dbraw/zinc/45/21/64/673452164.db2.gz NPHHVVWIRZLMSU-CABCVRRESA-N 2 0 367.291 0.955 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884490839 673456991 /nfs/dbraw/zinc/45/69/91/673456991.db2.gz IDFXYMNPMGHSLJ-FCEWJHQRSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000884553709 673461602 /nfs/dbraw/zinc/46/16/02/673461602.db2.gz FRXWGXLCSMXZFU-QWRGUYRKSA-N 2 0 363.487 0.228 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000884553710 673461635 /nfs/dbraw/zinc/46/16/35/673461635.db2.gz FRXWGXLCSMXZFU-WDEREUQCSA-N 2 0 363.487 0.228 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884577693 673463532 /nfs/dbraw/zinc/46/35/32/673463532.db2.gz KQVDHOJYVJQMGY-UPJWGTAASA-N 2 0 364.412 0.573 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884597842 673464707 /nfs/dbraw/zinc/46/47/07/673464707.db2.gz LTINBMJVEOWFRK-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)(C)C[NH+](C)C ZINC000884608075 673465365 /nfs/dbraw/zinc/46/53/65/673465365.db2.gz KTZWCWOHZKEOOG-NSHDSACASA-N 2 0 367.519 0.579 20 0 FCADRP CCN(C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000884639344 673468653 /nfs/dbraw/zinc/46/86/53/673468653.db2.gz VVKCUFGTZYHONX-OAHLLOKOSA-N 2 0 368.547 0.675 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643113 673469282 /nfs/dbraw/zinc/46/92/82/673469282.db2.gz XOFLUVRQKSAIRP-KBXCAEBGSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C[NH+]1CCCC1 ZINC000884670145 673471137 /nfs/dbraw/zinc/47/11/37/673471137.db2.gz PVNCTYMUNHWLHO-VQIMIIECSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000884669852 673471285 /nfs/dbraw/zinc/47/12/85/673471285.db2.gz IGHRBRZEWUEXHT-AGIUHOORSA-N 2 0 364.412 0.430 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000884682904 673472380 /nfs/dbraw/zinc/47/23/80/673472380.db2.gz ODXODRNVZWFMBQ-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884807980 673483164 /nfs/dbraw/zinc/48/31/64/673483164.db2.gz LQSDWDJHJAYPCQ-UHFFFAOYSA-N 2 0 352.479 0.087 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878943 673487863 /nfs/dbraw/zinc/48/78/63/673487863.db2.gz OEPBZDKAUAKANA-CVEARBPZSA-N 2 0 352.523 0.975 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC[C@H]21 ZINC000884879731 673488169 /nfs/dbraw/zinc/48/81/69/673488169.db2.gz MFEPVVUYRMMMNY-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970481 673494411 /nfs/dbraw/zinc/49/44/11/673494411.db2.gz KDCPOFWCKHDBBG-HOTGVXAUSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H](C)C1 ZINC000885015202 673498532 /nfs/dbraw/zinc/49/85/32/673498532.db2.gz VTFRLQBDAKGRGI-BPKGMFCQSA-N 2 0 350.507 0.870 20 0 FCADRP CC1([NH+]2CCCC2)CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000886522348 673590397 /nfs/dbraw/zinc/59/03/97/673590397.db2.gz HLVGXSUIWXTUQS-UHFFFAOYSA-N 2 0 372.579 0.950 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000887064971 673617796 /nfs/dbraw/zinc/61/77/96/673617796.db2.gz SOCWECPCGYHCLI-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000887083146 673621081 /nfs/dbraw/zinc/62/10/81/673621081.db2.gz RHGNFCYJEUMWBD-IBGZPJMESA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924949174 673770444 /nfs/dbraw/zinc/77/04/44/673770444.db2.gz FZUHMTVRCJRBAU-IAGOWNOFSA-N 2 0 374.595 0.910 20 0 FCADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023663 673774457 /nfs/dbraw/zinc/77/44/57/673774457.db2.gz OKDQBHCNDYVFFF-NVXWUHKLSA-N 2 0 361.552 0.873 20 0 FCADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925811420 673805014 /nfs/dbraw/zinc/80/50/14/673805014.db2.gz ILZHGOSIGOQTMI-KZNAEPCWSA-N 2 0 367.515 0.853 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000929464669 673957738 /nfs/dbraw/zinc/95/77/38/673957738.db2.gz ODVGUSQQMZJTJS-KRWDZBQOSA-N 2 0 365.503 0.317 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC001011209669 675376984 /nfs/dbraw/zinc/37/69/84/675376984.db2.gz NIDAITLCPKHSSN-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001017487436 675411828 /nfs/dbraw/zinc/41/18/28/675411828.db2.gz OQLWJFLZPBKKOH-OIISXLGYSA-N 2 0 350.507 0.942 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001018870199 675417887 /nfs/dbraw/zinc/41/78/87/675417887.db2.gz HWORQMWJQRVELW-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@@H+]1C ZINC001020172045 675436429 /nfs/dbraw/zinc/43/64/29/675436429.db2.gz KCXPVCQIXRSJQU-RGCMKSIDSA-N 2 0 369.487 0.760 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001020174452 675436476 /nfs/dbraw/zinc/43/64/76/675436476.db2.gz BNVKFKOQJWVJSE-ZQDZILKHSA-N 2 0 352.458 0.715 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001020174597 675436501 /nfs/dbraw/zinc/43/65/01/675436501.db2.gz IQOGZHNGPDDEIH-ZQDZILKHSA-N 2 0 350.463 0.103 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)CC[N@@H+]1C ZINC001020175491 675436761 /nfs/dbraw/zinc/43/67/61/675436761.db2.gz RPDUTZCDZZZPRW-SMLCLMEVSA-N 2 0 350.507 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)CC[N@@H+]1C ZINC001046032277 675681019 /nfs/dbraw/zinc/68/10/19/675681019.db2.gz IDHPGNZGVSPTLG-OKZBNKHCSA-N 2 0 352.523 0.318 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CCO2)CC1 ZINC000900596260 675698035 /nfs/dbraw/zinc/69/80/35/675698035.db2.gz ACHOWJFMEYSGJZ-KSZLIROESA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000900812531 675719896 /nfs/dbraw/zinc/71/98/96/675719896.db2.gz WDYBHZFYRHOOIC-QZTJIDSGSA-N 2 0 353.555 0.543 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001048606514 675866705 /nfs/dbraw/zinc/86/67/05/675866705.db2.gz QICLPCZYQUWEAH-WRQOLXDDSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897484891 1192184851 /nfs/dbraw/zinc/18/48/51/1192184851.db2.gz YAIRXIFHFJAAIO-NUJGCVRESA-N 2 0 371.485 0.862 20 0 FCADRP c1cn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c([C@H]2CCC[NH2+]C2)n1 ZINC001167055635 1167823122 /nfs/dbraw/zinc/82/31/22/1167823122.db2.gz KCPRQRUYEZHXQH-ZDUSSCGKSA-N 2 0 355.446 0.569 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000969428412 1167952398 /nfs/dbraw/zinc/95/23/98/1167952398.db2.gz OPTRMYDKWXFOFN-HSFUPAIVSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969509261 1167997908 /nfs/dbraw/zinc/99/79/08/1167997908.db2.gz WUOAMZIOMVNJSX-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)COC1(C)C ZINC001211990735 1192280389 /nfs/dbraw/zinc/28/03/89/1192280389.db2.gz ISKFLROYRPLYRB-HZMBPMFUSA-N 2 0 372.429 0.761 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3cccc(OC)n3)C[C@@H]21)[NH+](C)C ZINC001083195872 1168370998 /nfs/dbraw/zinc/37/09/98/1168370998.db2.gz SUELJNNHMPUPCU-YESZJQIVSA-N 2 0 362.474 0.842 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481981 1168559410 /nfs/dbraw/zinc/55/94/10/1168559410.db2.gz ZSLUUKRCYJSSRK-JOQVEUFWSA-N 2 0 363.502 0.714 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cnn(C)n2)O1 ZINC001021297720 1168965140 /nfs/dbraw/zinc/96/51/40/1168965140.db2.gz UAZDCOHBYGNRGA-IBWRZXHSSA-N 2 0 362.478 0.146 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001021388875 1169200863 /nfs/dbraw/zinc/20/08/63/1169200863.db2.gz OXOGJTKOEUCQPV-TZOQOTQKSA-N 2 0 370.497 0.929 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704401 1169899575 /nfs/dbraw/zinc/89/95/75/1169899575.db2.gz QKAVBHDBWVGGGE-YESZJQIVSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021707443 1169904954 /nfs/dbraw/zinc/90/49/54/1169904954.db2.gz LNQUTQVCSIRIDH-OKZBNKHCSA-N 2 0 360.502 0.483 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]21 ZINC001021712173 1169914780 /nfs/dbraw/zinc/91/47/80/1169914780.db2.gz JLBCTEZDYYEWJH-LSDHHAIUSA-N 2 0 356.430 0.607 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001691774372 1169935772 /nfs/dbraw/zinc/93/57/72/1169935772.db2.gz RIODYXAGWZESOI-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000897529342 1192397415 /nfs/dbraw/zinc/39/74/15/1192397415.db2.gz JBAFIXORAOWYMF-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCC1 ZINC000891384048 1170225323 /nfs/dbraw/zinc/22/53/23/1170225323.db2.gz DJZSIZHGQDAJSN-JJXSEGSLSA-N 2 0 365.478 0.295 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001104350937 1170227291 /nfs/dbraw/zinc/22/72/91/1170227291.db2.gz RLMUYEKKPAOZLC-BZUAXINKSA-N 2 0 368.522 0.293 20 0 FCADRP C[C@H](CO)[NH+](Cc1cccc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1)C[C@H](C)O ZINC000276220758 1170361034 /nfs/dbraw/zinc/36/10/34/1170361034.db2.gz QOBJUSGOLXSYHG-BDXSIMOUSA-N 2 0 368.518 0.814 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415256 1170371039 /nfs/dbraw/zinc/37/10/39/1170371039.db2.gz PDQKMESLWQRRMU-QXSJWSMHSA-N 2 0 365.478 0.295 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415255 1170371349 /nfs/dbraw/zinc/37/13/49/1170371349.db2.gz PDQKMESLWQRRMU-JONQDZQNSA-N 2 0 365.478 0.295 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000971568053 1170546950 /nfs/dbraw/zinc/54/69/50/1170546950.db2.gz PVXBQAAPCXNTKW-IXDOHACOSA-N 2 0 360.502 0.768 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221318 1170594573 /nfs/dbraw/zinc/59/45/73/1170594573.db2.gz VPGCRGADGSKCPI-BHYGNILZSA-N 2 0 367.469 0.718 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001022109854 1170672635 /nfs/dbraw/zinc/67/26/35/1170672635.db2.gz UJUCWCNDYFHSPR-ZOFXXKQRSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@H](CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000891602705 1170710569 /nfs/dbraw/zinc/71/05/69/1170710569.db2.gz LLTYBUBUJNIMPG-VQIMIIECSA-N 2 0 359.518 0.884 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000891602702 1170710789 /nfs/dbraw/zinc/71/07/89/1170710789.db2.gz LLTYBUBUJNIMPG-LPHOPBHVSA-N 2 0 359.518 0.884 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673266 1170804136 /nfs/dbraw/zinc/80/41/36/1170804136.db2.gz JATOWBCBKSYGAE-CHUNWDLHSA-N 2 0 363.462 0.046 20 0 FCADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000891714040 1170832859 /nfs/dbraw/zinc/83/28/59/1170832859.db2.gz KMBNEQRQDPFRAD-DLBZAZTESA-N 2 0 358.490 0.679 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000891714043 1170833041 /nfs/dbraw/zinc/83/30/41/1170833041.db2.gz KMBNEQRQDPFRAD-SJORKVTESA-N 2 0 358.490 0.679 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691226079 1170871182 /nfs/dbraw/zinc/87/11/82/1170871182.db2.gz LOGOMTRQQAPXKU-IMJJTQAJSA-N 2 0 357.520 0.247 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805841 1170881397 /nfs/dbraw/zinc/88/13/97/1170881397.db2.gz RRZPVXVWAXQSHU-QZTJIDSGSA-N 2 0 367.538 0.253 20 0 FCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892163312 1171666376 /nfs/dbraw/zinc/66/63/76/1171666376.db2.gz NAVLVUCPZBBNSM-ZWKOTPCHSA-N 2 0 367.538 0.614 20 0 FCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892163311 1171666625 /nfs/dbraw/zinc/66/66/25/1171666625.db2.gz NAVLVUCPZBBNSM-ROUUACIJSA-N 2 0 367.538 0.614 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001104409067 1171804867 /nfs/dbraw/zinc/80/48/67/1171804867.db2.gz NWIDTNFJMTXYMK-HUUCEWRRSA-N 2 0 370.457 0.701 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000892274486 1171951200 /nfs/dbraw/zinc/95/12/00/1171951200.db2.gz NQSLFVWOTUBOEC-HNNXBMFYSA-N 2 0 363.506 0.786 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)Cc1cncn1C ZINC000989233775 1192758768 /nfs/dbraw/zinc/75/87/68/1192758768.db2.gz ZJFQHOHSSIQQHY-ZBFHGGJFSA-N 2 0 361.490 0.943 20 0 FCADRP COc1c[nH+]ccc1N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000897630001 1192837860 /nfs/dbraw/zinc/83/78/60/1192837860.db2.gz UNSSIGSWIJMTDB-UHFFFAOYSA-N 2 0 360.458 0.850 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000897939888 1192852337 /nfs/dbraw/zinc/85/23/37/1192852337.db2.gz ULYJWJUHYDHQCT-JKSUJKDBSA-N 2 0 366.506 0.033 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000898129012 1192859088 /nfs/dbraw/zinc/85/90/88/1192859088.db2.gz XLDKRAMZYLXTQH-JKSUJKDBSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001087237012 1179071852 /nfs/dbraw/zinc/07/18/52/1179071852.db2.gz XOAZLCZDGKQZAV-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2)CC1 ZINC000583612696 1179218826 /nfs/dbraw/zinc/21/88/26/1179218826.db2.gz HSLHLIDKQONLTN-QGZVFWFLSA-N 2 0 373.501 0.570 20 0 FCADRP CN1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+](C)CC1 ZINC000888991331 1179275085 /nfs/dbraw/zinc/27/50/85/1179275085.db2.gz YOAOWKFTUDHJJJ-HXUWFJFHSA-N 2 0 360.502 0.329 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516705 1179731076 /nfs/dbraw/zinc/73/10/76/1179731076.db2.gz XAQGACCKYIXUPW-VKESLTNKSA-N 2 0 367.534 0.942 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211623807 1180218690 /nfs/dbraw/zinc/21/86/90/1180218690.db2.gz UHJHEPKXCFZRKD-KSZLIROESA-N 2 0 358.486 0.801 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)ccc2c[nH+]cn21 ZINC001023795385 1180321831 /nfs/dbraw/zinc/32/18/31/1180321831.db2.gz GTCAIDYXWUIGFS-IAGOWNOFSA-N 2 0 371.441 0.040 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001023847896 1180382642 /nfs/dbraw/zinc/38/26/42/1180382642.db2.gz RSJSQYMLYBYLGI-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]cn4)[C@@H]3C2)C1 ZINC000972738838 1180685571 /nfs/dbraw/zinc/68/55/71/1180685571.db2.gz IEVQADJIDPZKQD-ZMSDIMECSA-N 2 0 359.474 0.743 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112518923 1180852399 /nfs/dbraw/zinc/85/23/99/1180852399.db2.gz JKOLYOIJDIHRJP-LPHOPBHVSA-N 2 0 365.522 0.572 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000892435814 1180904672 /nfs/dbraw/zinc/90/46/72/1180904672.db2.gz GJCOBYCSYKILEQ-VQHPVUNQSA-N 2 0 365.522 0.794 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000892435813 1180904783 /nfs/dbraw/zinc/90/47/83/1180904783.db2.gz GJCOBYCSYKILEQ-QBPKDAKJSA-N 2 0 365.522 0.794 20 0 FCADRP CCCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000548926097 1181339449 /nfs/dbraw/zinc/33/94/49/1181339449.db2.gz URRGNJIDIDQZCQ-SJORKVTESA-N 2 0 374.485 0.875 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892517621 1181697901 /nfs/dbraw/zinc/69/79/01/1181697901.db2.gz ADZLTFPZBOGPNU-KRWDZBQOSA-N 2 0 357.462 0.962 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000892526069 1181735034 /nfs/dbraw/zinc/73/50/34/1181735034.db2.gz VTALQKCLVNPESY-UHFFFAOYSA-N 2 0 357.462 0.962 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000973000329 1181878034 /nfs/dbraw/zinc/87/80/34/1181878034.db2.gz QYFVZSZIBIYLIC-IXDOHACOSA-N 2 0 359.474 0.817 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1)[NH+](C)C ZINC001025435192 1182376886 /nfs/dbraw/zinc/37/68/86/1182376886.db2.gz REODCPZWIVGYCX-BRWVUGGUSA-N 2 0 368.522 0.135 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)CC1 ZINC001112522633 1182429317 /nfs/dbraw/zinc/42/93/17/1182429317.db2.gz HHMYJSRKYXHLPZ-HKUYNNGSSA-N 2 0 360.506 0.838 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794012 1182845611 /nfs/dbraw/zinc/84/56/11/1182845611.db2.gz HYHNONCWCILEMV-VKSRGFPUSA-N 2 0 360.502 0.526 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000893050002 1182868937 /nfs/dbraw/zinc/86/89/37/1182868937.db2.gz GRQZAOBADBYPML-WMZOPIPTSA-N 2 0 370.538 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104754661 1182900609 /nfs/dbraw/zinc/90/06/09/1182900609.db2.gz HEABZVGZEOMQBM-GDBMZVCRSA-N 2 0 363.510 0.516 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809529 1182928881 /nfs/dbraw/zinc/92/88/81/1182928881.db2.gz KACSRZPMBYKESC-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000728747360 1182961683 /nfs/dbraw/zinc/96/16/83/1182961683.db2.gz MKYYETLVORRAJZ-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104907952 1182990184 /nfs/dbraw/zinc/99/01/84/1182990184.db2.gz BIRARYMCMCWMIT-IAGOWNOFSA-N 2 0 370.538 0.507 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104908071 1182990503 /nfs/dbraw/zinc/99/05/03/1182990503.db2.gz HYUWSKWJYOQJLC-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104912150 1182992734 /nfs/dbraw/zinc/99/27/34/1182992734.db2.gz NEFOPUUXEAFGCS-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104939566 1183012482 /nfs/dbraw/zinc/01/24/82/1183012482.db2.gz XASPFHUBGKHIFP-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001105014504 1183068730 /nfs/dbraw/zinc/06/87/30/1183068730.db2.gz STMHCFKQRGOUJW-BRWVUGGUSA-N 2 0 360.506 0.935 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001105058800 1183095945 /nfs/dbraw/zinc/09/59/45/1183095945.db2.gz YWVHUDFWOWRYNV-HZPDHXFCSA-N 2 0 363.510 0.660 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974587612 1183354643 /nfs/dbraw/zinc/35/46/43/1183354643.db2.gz AJWYQGQZPUROHN-RVKKMQEKSA-N 2 0 371.485 0.772 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCCO)CC2(C)C)CC1 ZINC000974596112 1183374383 /nfs/dbraw/zinc/37/43/83/1183374383.db2.gz ODRFVHPYLKOEBC-KURKYZTESA-N 2 0 367.534 0.942 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000974597642 1183375453 /nfs/dbraw/zinc/37/54/53/1183375453.db2.gz HJBABUWXGGSRRA-FHLIZLRMSA-N 2 0 371.485 0.915 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001112523384 1183387356 /nfs/dbraw/zinc/38/73/56/1183387356.db2.gz PZSPTDNYQSHTPZ-KSSFIOAISA-N 2 0 361.494 0.678 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnnn1C ZINC001268005488 1183468332 /nfs/dbraw/zinc/46/83/32/1183468332.db2.gz VJFHKZCWGSMMBT-OIISXLGYSA-N 2 0 371.489 0.397 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[N@H+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727338 1183505886 /nfs/dbraw/zinc/50/58/86/1183505886.db2.gz YQHVDHQXZMRVCQ-OIISXLGYSA-N 2 0 363.506 0.508 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)[C@@H](c2ccccc2)C1 ZINC000975083782 1183705954 /nfs/dbraw/zinc/70/59/54/1183705954.db2.gz ZVHUUWSAVRDLBQ-IXDOHACOSA-N 2 0 358.486 0.644 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765263 1186004479 /nfs/dbraw/zinc/00/44/79/1186004479.db2.gz YGDCSYRGZGIKOQ-QQXKLLMISA-N 2 0 370.497 0.372 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3cncn3C)C2)CC[N@@H+]1C ZINC000978878242 1186024279 /nfs/dbraw/zinc/02/42/79/1186024279.db2.gz NTWLSVDKBVSEER-HDEZJCGLSA-N 2 0 361.490 0.704 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112530199 1186127357 /nfs/dbraw/zinc/12/73/57/1186127357.db2.gz ILZMYHZSJSGUHX-PXNSSMCTSA-N 2 0 367.534 0.946 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCN2CCCC2=O)O1 ZINC001027966413 1186241056 /nfs/dbraw/zinc/24/10/56/1186241056.db2.gz PKQSMSXXELXUTK-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP COc1cncc(CN2CCC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001027966344 1186241211 /nfs/dbraw/zinc/24/12/11/1186241211.db2.gz NTAHTNVDEBEPFS-FVQBIDKESA-N 2 0 363.462 0.285 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784919 1186520719 /nfs/dbraw/zinc/52/07/19/1186520719.db2.gz WLFJTHUUXKZAHH-YESZJQIVSA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCn2cncn2)C3)CC[N@@H+]1C ZINC000981779176 1186522475 /nfs/dbraw/zinc/52/24/75/1186522475.db2.gz WGESMRPTEDCUIC-DLBZAZTESA-N 2 0 360.506 0.933 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211713609 1186699070 /nfs/dbraw/zinc/69/90/70/1186699070.db2.gz RKNMLXFDJFNATG-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000893742065 1187513457 /nfs/dbraw/zinc/51/34/57/1187513457.db2.gz ZVNGOOQPWPXAST-ZWKOTPCHSA-N 2 0 368.522 0.510 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818498 1187921250 /nfs/dbraw/zinc/92/12/50/1187921250.db2.gz UKUJRTVSDPHSQC-NXHRZFHOSA-N 2 0 358.486 0.516 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001270060251 1187982217 /nfs/dbraw/zinc/98/22/17/1187982217.db2.gz BDUKSXSJZMOBBZ-RDTXWAMCSA-N 2 0 362.478 0.183 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001270060929 1187984716 /nfs/dbraw/zinc/98/47/16/1187984716.db2.gz GBFYMQJQZLHAKW-KBXCAEBGSA-N 2 0 362.478 0.326 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cccc5c[nH+]cn54)CC3)[C@H]2C1 ZINC001270368001 1188120651 /nfs/dbraw/zinc/12/06/51/1188120651.db2.gz DOCPVJPWFHFMEH-GJZGRUSLSA-N 2 0 353.426 0.617 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@]23CC(=O)N(CCn2ccnc2)C3)C1 ZINC001270488748 1188170899 /nfs/dbraw/zinc/17/08/99/1188170899.db2.gz DJHPKTFRYONEHI-VQIMIIECSA-N 2 0 359.474 0.818 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095028 1188222866 /nfs/dbraw/zinc/22/28/66/1188222866.db2.gz HXGKMOXMIHZLLU-SJORKVTESA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000894788588 1188250836 /nfs/dbraw/zinc/25/08/36/1188250836.db2.gz UDSBNLRAZQUAOV-MGNMYUMUSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC000983704975 1188276476 /nfs/dbraw/zinc/27/64/76/1188276476.db2.gz PCPJTHFRRTZWSY-KBUPBQIOSA-N 2 0 363.510 0.753 20 0 FCADRP C[C@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111598 1188293947 /nfs/dbraw/zinc/29/39/47/1188293947.db2.gz KYCFIHDFPHXAHB-RVKKMQEKSA-N 2 0 363.506 0.856 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409828 1188356729 /nfs/dbraw/zinc/35/67/29/1188356729.db2.gz BNVXEIMUMZXYQW-RTBURBONSA-N 2 0 372.513 0.972 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075798747 1188423317 /nfs/dbraw/zinc/42/33/17/1188423317.db2.gz MUVVNLFUOOKOLL-OKZBNKHCSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCc3ncnn32)CC[N@@H+]1C ZINC001029314074 1189374145 /nfs/dbraw/zinc/37/41/45/1189374145.db2.gz ZVCKGJNVPYQIMH-UHDSXZAQSA-N 2 0 358.490 0.781 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909101 1189895121 /nfs/dbraw/zinc/89/51/21/1189895121.db2.gz YOXBATBNRBOZJJ-IXDOHACOSA-N 2 0 360.506 0.981 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896009039 1189913352 /nfs/dbraw/zinc/91/33/52/1189913352.db2.gz JNPXWPJJQWJGAC-KRWDZBQOSA-N 2 0 364.490 0.038 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985778 1190107198 /nfs/dbraw/zinc/10/71/98/1190107198.db2.gz DDIAZOCNRPXIQF-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC000984839951 1190181254 /nfs/dbraw/zinc/18/12/54/1190181254.db2.gz ZDYXLHFXUSKNCE-DBDQLMEASA-N 2 0 370.497 0.705 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000984946350 1190313989 /nfs/dbraw/zinc/31/39/89/1190313989.db2.gz NCXJUNKKRGLCJL-WCXIOVBPSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107484 1190595719 /nfs/dbraw/zinc/59/57/19/1190595719.db2.gz ZVMYSBRZALYRPG-ZACQAIPSSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)[NH+](C)C ZINC000986132448 1190902975 /nfs/dbraw/zinc/90/29/75/1190902975.db2.gz YIAJVCHNLLXZKW-AOIWGVFYSA-N 2 0 364.534 0.975 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1(C)C ZINC000262765883 1190925866 /nfs/dbraw/zinc/92/58/66/1190925866.db2.gz FYVNKYHMZMYGDD-BEFAXECRSA-N 2 0 368.522 0.532 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2CN(CCOCC3CC3)C[C@@H]21 ZINC001217923283 1224132298 /nfs/dbraw/zinc/13/22/98/1224132298.db2.gz KAVAGNMXBUOFCB-GBESFXJTSA-N 2 0 363.502 0.666 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204492 1224147264 /nfs/dbraw/zinc/14/72/64/1224147264.db2.gz ADYMMFDTSWGQNK-RYQLBKOJSA-N 2 0 362.474 0.854 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000550653458 1193725287 /nfs/dbraw/zinc/72/52/87/1193725287.db2.gz IJEBJBJVQURMOT-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP O=C(NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001691589618 1193757388 /nfs/dbraw/zinc/75/73/88/1193757388.db2.gz WXQHZJQFGLYETC-QGTPRVQTSA-N 2 0 362.518 0.729 20 0 FCADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)sc2C1 ZINC001218532693 1224168488 /nfs/dbraw/zinc/16/84/88/1224168488.db2.gz IUQVYUCRQSVGIB-QWRGUYRKSA-N 2 0 373.486 0.440 20 0 FCADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)sc2C1 ZINC001218532692 1224168846 /nfs/dbraw/zinc/16/88/46/1224168846.db2.gz IUQVYUCRQSVGIB-MNOVXSKESA-N 2 0 373.486 0.440 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000550878644 1193818111 /nfs/dbraw/zinc/81/81/11/1193818111.db2.gz LZJJKHXHHMSZCO-UHFFFAOYSA-N 2 0 369.554 0.364 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550946064 1193821722 /nfs/dbraw/zinc/82/17/22/1193821722.db2.gz CHNBWQRHSJFRQQ-IRXDYDNUSA-N 2 0 367.538 0.118 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550944137 1193821956 /nfs/dbraw/zinc/82/19/56/1193821956.db2.gz XHZPBANOXOQRAX-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CCN1C ZINC000551346774 1193851539 /nfs/dbraw/zinc/85/15/39/1193851539.db2.gz DKSSKZHTUBNTEF-INIZCTEOSA-N 2 0 361.490 0.677 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218557504 1224173109 /nfs/dbraw/zinc/17/31/09/1224173109.db2.gz AMELHNRMUCRTTF-OWCLPIDISA-N 2 0 362.478 0.019 20 0 FCADRP Cc1nc2ccccc2c(=O)n1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551916311 1193876774 /nfs/dbraw/zinc/87/67/74/1193876774.db2.gz HNBMYZKXHCDYNI-UHFFFAOYSA-N 2 0 359.474 0.657 20 0 FCADRP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000551931188 1193876892 /nfs/dbraw/zinc/87/68/92/1193876892.db2.gz KWJVXAJWBUNJIQ-WTGUMLROSA-N 2 0 366.550 0.576 20 0 FCADRP COc1cncc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1C ZINC001218561371 1224174392 /nfs/dbraw/zinc/17/43/92/1224174392.db2.gz GFJMYLNQLQGNJJ-ZFWWWQNUSA-N 2 0 363.462 0.784 20 0 FCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5cncc5C4)[C@@H]3C2)cn1 ZINC001075961477 1193883585 /nfs/dbraw/zinc/88/35/85/1193883585.db2.gz PLZLNOHYDNEHRC-XYJFISCASA-N 2 0 354.458 0.912 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001075965820 1193885251 /nfs/dbraw/zinc/88/52/51/1193885251.db2.gz FDOMDTMRAGMCLB-XYJFISCASA-N 2 0 368.485 0.954 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075993209 1193929011 /nfs/dbraw/zinc/92/90/11/1193929011.db2.gz JMTRQMPTEXYONR-USXIJHARSA-N 2 0 353.426 0.759 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075993208 1193929158 /nfs/dbraw/zinc/92/91/58/1193929158.db2.gz JMTRQMPTEXYONR-BHYGNILZSA-N 2 0 353.426 0.759 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000552495818 1193934295 /nfs/dbraw/zinc/93/42/95/1193934295.db2.gz UEJQYMNLHRVUAX-QGZVFWFLSA-N 2 0 358.486 0.760 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105667816 1193942702 /nfs/dbraw/zinc/94/27/02/1193942702.db2.gz UDCMKTYABGRPIW-FPAYPSAMSA-N 2 0 371.522 0.177 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105668049 1193946566 /nfs/dbraw/zinc/94/65/66/1193946566.db2.gz HCJNIPAHPYKXAZ-RGCFKVTRSA-N 2 0 368.522 0.040 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105669267 1193967210 /nfs/dbraw/zinc/96/72/10/1193967210.db2.gz QOCKYGFJOGOBLT-OHDICMOHSA-N 2 0 368.522 0.170 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000553095969 1193971762 /nfs/dbraw/zinc/97/17/62/1193971762.db2.gz SZLBTKZWFZCLHY-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)ccn2)c1 ZINC001218621793 1224183363 /nfs/dbraw/zinc/18/33/63/1224183363.db2.gz MRKZPCSNGMLJCC-MRXNPFEDSA-N 2 0 372.429 0.709 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105670096 1193998795 /nfs/dbraw/zinc/99/87/95/1193998795.db2.gz XTOPXPGJTPURBA-FPAYPSAMSA-N 2 0 364.490 0.873 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001218640844 1224187869 /nfs/dbraw/zinc/18/78/69/1224187869.db2.gz MEMWOPIICGBKID-AUUYWEPGSA-N 2 0 352.442 0.692 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001218640847 1224188130 /nfs/dbraw/zinc/18/81/30/1224188130.db2.gz MEMWOPIICGBKID-LIRRHRJNSA-N 2 0 352.442 0.692 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645093 1224188227 /nfs/dbraw/zinc/18/82/27/1224188227.db2.gz CQEFVBICHUZNJO-HRCADAONSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188592 1194084553 /nfs/dbraw/zinc/08/45/53/1194084553.db2.gz ITHGTTBANBYRAT-PXNSSMCTSA-N 2 0 358.486 0.868 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(C(=O)OC)nnn1Cc1ccccc1 ZINC001218661669 1224192642 /nfs/dbraw/zinc/19/26/42/1224192642.db2.gz YANGPDBMKFBIJS-AWEZNQCLSA-N 2 0 374.445 0.769 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105675764 1194104694 /nfs/dbraw/zinc/10/46/94/1194104694.db2.gz RHKOEWNDEKAWDD-IZBJGVDFSA-N 2 0 367.534 0.821 20 0 FCADRP C[NH+](C)CCNC(=O)C[C@@]1(C(=O)NCC[NH+](C)C)CCc2ccccc21 ZINC000899919569 1194221554 /nfs/dbraw/zinc/22/15/54/1194221554.db2.gz AOGCHTMNLVOCGZ-FQEVSTJZSA-N 2 0 360.502 0.616 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001218727796 1224206428 /nfs/dbraw/zinc/20/64/28/1224206428.db2.gz QCQBXHGDHSGLMV-HYVNUMGLSA-N 2 0 359.474 0.835 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001076177132 1194339520 /nfs/dbraw/zinc/33/95/20/1194339520.db2.gz MPXBIHFDNARKGY-NBOOPKSLSA-N 2 0 362.518 0.870 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001076247008 1194366014 /nfs/dbraw/zinc/36/60/14/1194366014.db2.gz UUSBYCCNFGDJML-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242769 1194369349 /nfs/dbraw/zinc/36/93/49/1194369349.db2.gz QUUHZEJRGVAZDT-FHLIZLRMSA-N 2 0 360.506 0.769 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001076398754 1194455671 /nfs/dbraw/zinc/45/56/71/1194455671.db2.gz DDCYRAYNAOOBAX-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467053 1194500853 /nfs/dbraw/zinc/50/08/53/1194500853.db2.gz ASSYPIMXSUVHHJ-ZWKOTPCHSA-N 2 0 368.481 0.914 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001076569454 1194575438 /nfs/dbraw/zinc/57/54/38/1194575438.db2.gz XSSNUQOEWMFNLV-FRQCXROJSA-N 2 0 368.485 0.953 20 0 FCADRP COCCCN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795996 1224226447 /nfs/dbraw/zinc/22/64/47/1224226447.db2.gz SYBXJHDJKYJYTE-BEFAXECRSA-N 2 0 369.506 0.613 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796095 1224229091 /nfs/dbraw/zinc/22/90/91/1224229091.db2.gz WDXPJMBGMNZMKX-KUHUBIRLSA-N 2 0 368.522 0.184 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC001218811638 1224227881 /nfs/dbraw/zinc/22/78/81/1224227881.db2.gz RKBOYLARKCLDTK-HOCLYGCPSA-N 2 0 358.446 0.949 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874898 1224243706 /nfs/dbraw/zinc/24/37/06/1224243706.db2.gz ZGCNQGDUMSGWKD-INIZCTEOSA-N 3 0 363.506 0.586 20 0 FCADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879709 1224244894 /nfs/dbraw/zinc/24/48/94/1224244894.db2.gz HCIQAAMJOPRAGN-JJRVBVJISA-N 2 0 358.442 0.438 20 0 FCADRP CN(CC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001218882403 1224247460 /nfs/dbraw/zinc/24/74/60/1224247460.db2.gz SHDUFOLUJAWTFS-HNNXBMFYSA-N 2 0 359.474 0.354 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CCC1 ZINC001083563561 1195222327 /nfs/dbraw/zinc/22/23/27/1195222327.db2.gz VQHBGJRGJRUZOQ-FGTMMUONSA-N 2 0 365.518 0.839 20 0 FCADRP CC(C)CNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218956435 1224272390 /nfs/dbraw/zinc/27/23/90/1224272390.db2.gz GNBUQHVZSPAFTJ-KRWDZBQOSA-N 2 0 361.490 0.761 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219419 1195328501 /nfs/dbraw/zinc/32/85/01/1195328501.db2.gz QDDAQLXBMWSHJI-KZNAEPCWSA-N 2 0 365.518 0.983 20 0 FCADRP CC(C)N(C)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965256 1224273948 /nfs/dbraw/zinc/27/39/48/1224273948.db2.gz IHWVLYIDPFSQFP-IXDOHACOSA-N 2 0 366.506 0.107 20 0 FCADRP CCN(CC)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218964919 1224274188 /nfs/dbraw/zinc/27/41/88/1224274188.db2.gz AGADCLYEEVBWAG-IXDOHACOSA-N 2 0 366.506 0.108 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC001218971006 1224274706 /nfs/dbraw/zinc/27/47/06/1224274706.db2.gz QXZFKFUYNDWKJY-ZWKOTPCHSA-N 2 0 365.449 0.816 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299485 1195398572 /nfs/dbraw/zinc/39/85/72/1195398572.db2.gz DDJVTXAMKMCARW-FGTMMUONSA-N 2 0 365.518 0.717 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 ZINC001219004243 1224285522 /nfs/dbraw/zinc/28/55/22/1224285522.db2.gz BZFQCPYSKBYEJT-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418743 1195517458 /nfs/dbraw/zinc/51/74/58/1195517458.db2.gz ZAOLWDYTFYAULT-MOXMWUHRSA-N 2 0 363.502 0.591 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219025461 1224298724 /nfs/dbraw/zinc/29/87/24/1224298724.db2.gz KPONTGXDTJKXTL-HNNXBMFYSA-N 2 0 368.441 0.650 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219029513 1224302805 /nfs/dbraw/zinc/30/28/05/1224302805.db2.gz AVLCGHWEBBODOG-UHFFFAOYSA-N 2 0 354.414 0.621 20 0 FCADRP O=C(C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910843009 1195849311 /nfs/dbraw/zinc/84/93/11/1195849311.db2.gz JDJPFKGEIUZGNP-QGZVFWFLSA-N 2 0 369.469 0.639 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+](C)C)c1 ZINC000910962629 1195869213 /nfs/dbraw/zinc/86/92/13/1195869213.db2.gz MFQUZSOWCFFGBV-LZLYRXPVSA-N 2 0 374.485 0.482 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000911240966 1195921461 /nfs/dbraw/zinc/92/14/61/1195921461.db2.gz BTOIKIMNMIOTEJ-KANFNMMFSA-N 2 0 370.497 0.834 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000911366266 1195948223 /nfs/dbraw/zinc/94/82/23/1195948223.db2.gz ZRFMAMHEVBECIN-OAHLLOKOSA-N 2 0 366.506 0.109 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)C1)N1CC[NH2+]CC1 ZINC000911705151 1196308866 /nfs/dbraw/zinc/30/88/66/1196308866.db2.gz KJHUTTWJPITFQG-XWTMOSNGSA-N 2 0 362.518 0.825 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654353 1196347381 /nfs/dbraw/zinc/34/73/81/1196347381.db2.gz KCYXZAAGZJYHEF-OITNMJJTSA-N 2 0 371.481 0.520 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000991426413 1196393872 /nfs/dbraw/zinc/39/38/72/1196393872.db2.gz ASVZWAVMWBNRAQ-HYVNUMGLSA-N 2 0 366.506 0.295 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000592487155 1196564364 /nfs/dbraw/zinc/56/43/64/1196564364.db2.gz CJVFRODSMNNCAZ-IRXDYDNUSA-N 2 0 362.474 0.242 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000592487154 1196564459 /nfs/dbraw/zinc/56/44/59/1196564459.db2.gz CJVFRODSMNNCAZ-IAGOWNOFSA-N 2 0 362.474 0.242 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960877 1196601726 /nfs/dbraw/zinc/60/17/26/1196601726.db2.gz FZDXVDACZGHGHO-HZPDHXFCSA-N 2 0 362.522 0.723 20 0 FCADRP COCCOCCN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000593918656 1196671004 /nfs/dbraw/zinc/67/10/04/1196671004.db2.gz FGRHHPDMJWRANY-HNNXBMFYSA-N 2 0 365.478 0.140 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001105946534 1196750097 /nfs/dbraw/zinc/75/00/97/1196750097.db2.gz WYXXLKBWPOCQBN-BFYDXBDKSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001105945344 1196750501 /nfs/dbraw/zinc/75/05/01/1196750501.db2.gz UDEHWFHHAGZLNM-RBSFLKMASA-N 2 0 360.462 0.193 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1ccnc1C(N)=[NH2+] ZINC001168409430 1196761248 /nfs/dbraw/zinc/76/12/48/1196761248.db2.gz BZPWSWAHEQBVJD-LBPRGKRZSA-N 2 0 374.445 0.657 20 0 FCADRP CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219170486 1224373032 /nfs/dbraw/zinc/37/30/32/1224373032.db2.gz SQTYNISZMGHEAI-HNNXBMFYSA-N 2 0 369.425 0.797 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@H]1C[NH2+]C[C@H]1O ZINC001219193890 1224382422 /nfs/dbraw/zinc/38/24/22/1224382422.db2.gz QHYQWQGITVKWFB-LSDHHAIUSA-N 2 0 372.391 0.629 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000992418835 1197098336 /nfs/dbraw/zinc/09/83/36/1197098336.db2.gz YPSVMDVDHDRGIW-QDIHITRGSA-N 2 0 359.474 0.630 20 0 FCADRP O=C(CCc1ncc[nH]1)N1[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272541444 1197280930 /nfs/dbraw/zinc/28/09/30/1197280930.db2.gz ZDEHHYKCSOTLGF-XHSDSOJGSA-N 2 0 357.458 0.638 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001106145744 1197307397 /nfs/dbraw/zinc/30/73/97/1197307397.db2.gz FQDJLWUGZJIBEY-KFWWJZLASA-N 2 0 364.494 0.006 20 0 FCADRP Nc1c(F)cccc1N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001219283370 1224413502 /nfs/dbraw/zinc/41/35/02/1224413502.db2.gz LRKBARHVGINMAT-AWEZNQCLSA-N 2 0 363.437 0.361 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219293773 1224417506 /nfs/dbraw/zinc/41/75/06/1224417506.db2.gz PFPKXTSLPLRWJG-CZUORRHYSA-N 2 0 364.421 0.843 20 0 FCADRP O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219301463 1224418798 /nfs/dbraw/zinc/41/87/98/1224418798.db2.gz WGJPHHCMFGOEJP-INIZCTEOSA-N 2 0 362.405 0.373 20 0 FCADRP O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219301536 1224419302 /nfs/dbraw/zinc/41/93/02/1224419302.db2.gz ZAHHYQCZABNUIT-OAHLLOKOSA-N 2 0 364.421 0.225 20 0 FCADRP O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)c1nnn2c1CNCC2 ZINC001219307471 1224420650 /nfs/dbraw/zinc/42/06/50/1224420650.db2.gz YHEGBGDUJKEWRH-UHFFFAOYSA-N 2 0 360.393 0.904 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1 ZINC000992839233 1197544202 /nfs/dbraw/zinc/54/42/02/1197544202.db2.gz IQWZZNAZBURILH-QMTMVMCOSA-N 2 0 359.474 0.743 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992950992 1197628181 /nfs/dbraw/zinc/62/81/81/1197628181.db2.gz GLFIATVKIAOHCQ-FUHIMQAGSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992951022 1197628806 /nfs/dbraw/zinc/62/88/06/1197628806.db2.gz HRPXXVMEFULIGR-ABSDTBQOSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CCC1 ZINC000992955147 1197629358 /nfs/dbraw/zinc/62/93/58/1197629358.db2.gz ZZJWYCOVARWQDN-UZLBHIALSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001085258030 1197757568 /nfs/dbraw/zinc/75/75/68/1197757568.db2.gz MTINTINEONRBHX-HZPDHXFCSA-N 2 0 363.506 0.657 20 0 FCADRP Cc1nnc(CN(CCO)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001098371023 1197795152 /nfs/dbraw/zinc/79/51/52/1197795152.db2.gz GLLQPWIXZRMIHO-CZUORRHYSA-N 2 0 365.478 0.504 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)nc1=O ZINC001085295696 1197801502 /nfs/dbraw/zinc/80/15/02/1197801502.db2.gz UNZBNLAHWCVEEP-ZIAGYGMSSA-N 2 0 364.494 0.500 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1)[NH+](C)C ZINC000993077082 1197801800 /nfs/dbraw/zinc/80/18/00/1197801800.db2.gz KAWYYSCPCDQAHX-ABSDTBQOSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)CC1 ZINC000993086552 1197810224 /nfs/dbraw/zinc/81/02/24/1197810224.db2.gz RCBVAGYGPVGIGW-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085332269 1197825286 /nfs/dbraw/zinc/82/52/86/1197825286.db2.gz QRGQHXWEKSHUFV-RBSFLKMASA-N 2 0 365.478 0.040 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001085374390 1197851027 /nfs/dbraw/zinc/85/10/27/1197851027.db2.gz NINVIKYODMWCJB-BZUAXINKSA-N 2 0 364.490 0.541 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322096 1197865004 /nfs/dbraw/zinc/86/50/04/1197865004.db2.gz JFWPJSVWQVAMIQ-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106322410 1197865111 /nfs/dbraw/zinc/86/51/11/1197865111.db2.gz OBYNEZCSBAPAHK-KFWWJZLASA-N 2 0 363.462 0.782 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106339877 1197870100 /nfs/dbraw/zinc/87/01/00/1197870100.db2.gz DAGYHUZSBIANSQ-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453832 1197934943 /nfs/dbraw/zinc/93/49/43/1197934943.db2.gz ZSHIGTSZIUPSRO-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106477712 1197960654 /nfs/dbraw/zinc/96/06/54/1197960654.db2.gz OOOROESFXRBDTH-HUUCEWRRSA-N 2 0 363.510 0.659 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)CC2 ZINC001106590932 1198025460 /nfs/dbraw/zinc/02/54/60/1198025460.db2.gz FSURDZVWTKEJJC-DJIMGWMZSA-N 2 0 364.490 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001106600203 1198029700 /nfs/dbraw/zinc/02/97/00/1198029700.db2.gz UFXVDIZOGSYXDT-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086088712 1198152582 /nfs/dbraw/zinc/15/25/82/1198152582.db2.gz NDLWLESUVGOHKT-GJVDQKBNSA-N 2 0 366.506 0.092 20 0 FCADRP C[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1)[NH+](C)C ZINC001273404038 1198218706 /nfs/dbraw/zinc/21/87/06/1198218706.db2.gz RMLWTNGIJLTUMU-RDJZCZTQSA-N 2 0 362.518 0.872 20 0 FCADRP COc1cc2c(cc1NC(=O)c1c[nH+]ccc1N)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504192 1224491051 /nfs/dbraw/zinc/49/10/51/1224491051.db2.gz QNZUQPJAOFRUDB-SFHVURJKSA-N 2 0 353.382 0.938 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006329176 1198997412 /nfs/dbraw/zinc/99/74/12/1198997412.db2.gz BJVVNWUHVGNBSQ-IIAWOOMASA-N 2 0 366.506 0.153 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168810604 1199035588 /nfs/dbraw/zinc/03/55/88/1199035588.db2.gz BGOAPYRUOIZMPE-BMFZPTHFSA-N 2 0 355.442 0.868 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129337400 1199076521 /nfs/dbraw/zinc/07/65/21/1199076521.db2.gz GNMIUSQYKAXABU-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348550 1199095588 /nfs/dbraw/zinc/09/55/88/1199095588.db2.gz SPEYIEBUYHZCBS-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001219650092 1224545960 /nfs/dbraw/zinc/54/59/60/1224545960.db2.gz MBURNNJIRLJIMU-LBTNJELSSA-N 2 0 371.485 0.516 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753086 1224595894 /nfs/dbraw/zinc/59/58/94/1224595894.db2.gz ALWDPTWJXCHDBS-IRXDYDNUSA-N 2 0 373.501 0.953 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753087 1224596229 /nfs/dbraw/zinc/59/62/29/1224596229.db2.gz ALWDPTWJXCHDBS-SJORKVTESA-N 2 0 373.501 0.953 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109447150 1200291020 /nfs/dbraw/zinc/29/10/20/1200291020.db2.gz CNZQZZSSNKZQLU-IKGGRYGDSA-N 2 0 369.506 0.075 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668901 1200457556 /nfs/dbraw/zinc/45/75/56/1200457556.db2.gz GMIIXGBASOJQBS-OWSLCNJRSA-N 2 0 369.506 0.074 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001219794784 1224616134 /nfs/dbraw/zinc/61/61/34/1224616134.db2.gz ONMGWAMHYNYFKM-KURKYZTESA-N 2 0 371.497 0.931 20 0 FCADRP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219798522 1224618354 /nfs/dbraw/zinc/61/83/54/1224618354.db2.gz VQNVZMCBJJYACT-QGZVFWFLSA-N 2 0 373.501 0.769 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980137 1200663168 /nfs/dbraw/zinc/66/31/68/1200663168.db2.gz JTVGBYXMHVMEIM-BDXSIMOUSA-N 2 0 371.522 0.320 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001110019185 1200708881 /nfs/dbraw/zinc/70/88/81/1200708881.db2.gz JQFHHLBUGJZUAN-PMPSAXMXSA-N 2 0 364.490 0.589 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112548602 1200773684 /nfs/dbraw/zinc/77/36/84/1200773684.db2.gz HUUQNFHJXYXNIO-LPHOPBHVSA-N 2 0 365.522 0.572 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112567422 1200801884 /nfs/dbraw/zinc/80/18/84/1200801884.db2.gz OHJMUYZVRZDWBS-KSSFIOAISA-N 2 0 364.494 0.169 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112568074 1200801991 /nfs/dbraw/zinc/80/19/91/1200801991.db2.gz WOQAHHSSOIJZPD-LPHOPBHVSA-N 2 0 365.522 0.572 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001112578392 1200816704 /nfs/dbraw/zinc/81/67/04/1200816704.db2.gz MQKRVPAPEYWWBS-UWVAXJGDSA-N 2 0 362.518 0.683 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCCC3=O)C2)C1 ZINC001112579149 1200818183 /nfs/dbraw/zinc/81/81/83/1200818183.db2.gz YNOLWUBIXGXNOJ-ZWOKBUDYSA-N 2 0 362.518 0.779 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834491 1224646591 /nfs/dbraw/zinc/64/65/91/1224646591.db2.gz QLRZEICTFBOVNE-RNIPGJKVSA-N 2 0 367.490 0.047 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837945 1224647078 /nfs/dbraw/zinc/64/70/78/1224647078.db2.gz NACFVPFULFDUSM-ZAAXVRCTSA-N 2 0 359.470 0.602 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837942 1224647338 /nfs/dbraw/zinc/64/73/38/1224647338.db2.gz NACFVPFULFDUSM-BPAFIMBUSA-N 2 0 359.470 0.602 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc2)n1 ZINC001086588806 1201096244 /nfs/dbraw/zinc/09/62/44/1201096244.db2.gz PFVOABFGOIWITD-PKOBYXMFSA-N 2 0 371.485 0.635 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219848088 1224653198 /nfs/dbraw/zinc/65/31/98/1224653198.db2.gz WHPQQBKPXMJHLV-FOIQADDNSA-N 2 0 359.470 0.500 20 0 FCADRP COCCOCCN1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](O)C1 ZINC001219853150 1224654829 /nfs/dbraw/zinc/65/48/29/1224654829.db2.gz HLLGOMUAYKPBSS-IKGGRYGDSA-N 2 0 368.478 0.295 20 0 FCADRP Cn1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170392211 1201208986 /nfs/dbraw/zinc/20/89/86/1201208986.db2.gz FERLPZNNYFEWLW-CUINURIISA-N 2 0 369.510 0.694 20 0 FCADRP C[C@H](O)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000793628560 1201249047 /nfs/dbraw/zinc/24/90/47/1201249047.db2.gz FTQCKGSTYPMDNT-HNNXBMFYSA-N 2 0 364.490 0.308 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000793699223 1201257631 /nfs/dbraw/zinc/25/76/31/1201257631.db2.gz KRKVNOFUGAGZMG-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793703920 1201259629 /nfs/dbraw/zinc/25/96/29/1201259629.db2.gz ZVQUEWKABPFMMZ-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407193 1201296489 /nfs/dbraw/zinc/29/64/89/1201296489.db2.gz IAPMODDPANEYFV-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400423 1201305902 /nfs/dbraw/zinc/30/59/02/1201305902.db2.gz NPQCBDNCOZGGGJ-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485114 1201331046 /nfs/dbraw/zinc/33/10/46/1201331046.db2.gz WBRCICPZQQFWNR-BBWFWOEESA-N 2 0 364.494 0.267 20 0 FCADRP O=C([C@H]1CCc2nccn2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917090 1201426949 /nfs/dbraw/zinc/42/69/49/1201426949.db2.gz LDCSFTHVQUGLBQ-ZNMIVQPWSA-N 2 0 361.425 0.438 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129918500 1201440083 /nfs/dbraw/zinc/44/00/83/1201440083.db2.gz ARLKALMZSRWLRQ-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980428 1201460924 /nfs/dbraw/zinc/46/09/24/1201460924.db2.gz KOSUBPUCASTMGE-NXOAAHMSSA-N 2 0 364.494 0.386 20 0 FCADRP O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219901523 1224674938 /nfs/dbraw/zinc/67/49/38/1224674938.db2.gz LEKHQCKISARLTC-KSMMKXTCSA-N 2 0 358.442 0.485 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982341 1201461961 /nfs/dbraw/zinc/46/19/61/1201461961.db2.gz DVGWEVMEPVCCQJ-OAGGEKHMSA-N 2 0 364.494 0.122 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012139 1201471196 /nfs/dbraw/zinc/47/11/96/1201471196.db2.gz QVCKVRIZIZEYMC-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)C(C)C ZINC001130045814 1201485659 /nfs/dbraw/zinc/48/56/59/1201485659.db2.gz BPXOANAPZRHZEV-IKGGRYGDSA-N 2 0 366.510 0.632 20 0 FCADRP CC1CC(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@@H]2n2ccnn2)C1 ZINC001130085946 1201494046 /nfs/dbraw/zinc/49/40/46/1201494046.db2.gz FLUYPGPUDRLZLN-BACDZXNISA-N 2 0 364.494 0.244 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130107554 1201503195 /nfs/dbraw/zinc/50/31/95/1201503195.db2.gz QXHMNAODCKOKFT-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123262 1201511462 /nfs/dbraw/zinc/51/14/62/1201511462.db2.gz LOHMTIJOEFULHM-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130137330 1201515481 /nfs/dbraw/zinc/51/54/81/1201515481.db2.gz UFWHELZEUUCPKM-SJORKVTESA-N 2 0 364.494 0.529 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001130238039 1201560249 /nfs/dbraw/zinc/56/02/49/1201560249.db2.gz QAQIGNDWXARQJN-KKUMJFAQSA-N 2 0 364.494 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130248959 1201568514 /nfs/dbraw/zinc/56/85/14/1201568514.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 2 0 366.510 0.881 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)C1CC1 ZINC001130292834 1201578668 /nfs/dbraw/zinc/57/86/68/1201578668.db2.gz DKIMPKZRAXXVBC-NJAFHUGGSA-N 2 0 368.497 0.772 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130293043 1201578736 /nfs/dbraw/zinc/57/87/36/1201578736.db2.gz JYTWRAUPKCUMDB-WBVHZDCISA-N 2 0 368.522 0.184 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130307077 1201581784 /nfs/dbraw/zinc/58/17/84/1201581784.db2.gz HYZIYHPEAZXPEK-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220045106 1224736130 /nfs/dbraw/zinc/73/61/30/1224736130.db2.gz LXUWRQBJEYQLRP-IRXDYDNUSA-N 2 0 367.453 0.546 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061195 1224741502 /nfs/dbraw/zinc/74/15/02/1224741502.db2.gz CBAYXUCRYSPXMY-MOPGFXCFSA-N 2 0 363.502 0.991 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130612244 1202730675 /nfs/dbraw/zinc/73/06/75/1202730675.db2.gz TULVSQZSQWDUKC-JQHSSLGASA-N 2 0 365.522 0.927 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607981 1202734229 /nfs/dbraw/zinc/73/42/29/1202734229.db2.gz VFBIAFHDOSOIOC-DOTOQJQBSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001130670056 1202751627 /nfs/dbraw/zinc/75/16/27/1202751627.db2.gz PBFDBEALPOHSHR-DOTOQJQBSA-N 2 0 359.478 0.190 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712739 1202759732 /nfs/dbraw/zinc/75/97/32/1202759732.db2.gz JSICNWAJGBBNNR-HLLBOEOZSA-N 2 0 369.485 0.630 20 0 FCADRP C[NH+](C)[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)C1CC1 ZINC001130790061 1202798083 /nfs/dbraw/zinc/79/80/83/1202798083.db2.gz GBJLFXFRAKBKJZ-GZBFAFLISA-N 2 0 368.457 0.540 20 0 FCADRP CO[C@@H](C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802427 1202803878 /nfs/dbraw/zinc/80/38/78/1202803878.db2.gz UDMBJOMFHVAIAB-MELADBBJSA-N 2 0 368.482 0.217 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008167 1202842007 /nfs/dbraw/zinc/84/20/07/1202842007.db2.gz UYILAACSOOBTMP-DJIMGWMZSA-N 2 0 363.506 0.823 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131008256 1202842486 /nfs/dbraw/zinc/84/24/86/1202842486.db2.gz ZATACENXJHJCOL-NUJGCVRESA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001131062045 1202854248 /nfs/dbraw/zinc/85/42/48/1202854248.db2.gz SQVNJQAFQJVGON-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108029 1202864062 /nfs/dbraw/zinc/86/40/62/1202864062.db2.gz GSRRIRCLHMEHJO-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cncn1C ZINC001131115541 1202864721 /nfs/dbraw/zinc/86/47/21/1202864721.db2.gz RIAUTUXUGITSSW-MDZRGWNJSA-N 2 0 361.490 0.436 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)c2)CC1 ZINC000808220436 1202876875 /nfs/dbraw/zinc/87/68/75/1202876875.db2.gz GFFPVYSFEDLUJH-LJQANCHMSA-N 2 0 360.502 0.621 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316716 1202885781 /nfs/dbraw/zinc/88/57/81/1202885781.db2.gz STLOHLUBRYCMDV-XHSDSOJGSA-N 2 0 368.478 0.079 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131313316 1202887288 /nfs/dbraw/zinc/88/72/88/1202887288.db2.gz NWRPYVWOCOSIBU-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131313317 1202887986 /nfs/dbraw/zinc/88/79/86/1202887986.db2.gz NWRPYVWOCOSIBU-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)cn1 ZINC001131555461 1202913357 /nfs/dbraw/zinc/91/33/57/1202913357.db2.gz HOVFTWNEZNYVLV-MJGOQNOKSA-N 2 0 363.506 0.858 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001131561965 1202914543 /nfs/dbraw/zinc/91/45/43/1202914543.db2.gz HSJSYEXGVLYYMC-GMBSWORKSA-N 2 0 366.506 0.202 20 0 FCADRP COC(=O)CC[C@]1(C)NC(=O)N(CN(C)CCCn2ccnc2C)C1=O ZINC000811761116 1202973152 /nfs/dbraw/zinc/97/31/52/1202973152.db2.gz ZWLVAIRQANGMAA-KRWDZBQOSA-N 2 0 365.434 0.735 20 0 FCADRP Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)ccc2c[nH+]cn21 ZINC001086739622 1203065820 /nfs/dbraw/zinc/06/58/20/1203065820.db2.gz JAXVCNUIZBNTOS-UONOGXRCSA-N 2 0 368.445 0.855 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001086747377 1203070702 /nfs/dbraw/zinc/07/07/02/1203070702.db2.gz WPBNAHROVYFAIQ-JGGQBBKZSA-N 2 0 369.425 0.628 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001086755586 1203078643 /nfs/dbraw/zinc/07/86/43/1203078643.db2.gz CRCOZVPQJIPYFM-SQWLQELKSA-N 2 0 368.441 0.644 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086763149 1203084628 /nfs/dbraw/zinc/08/46/28/1203084628.db2.gz UWTVBPLFONZIBH-XEBSJPFGSA-N 2 0 371.485 0.714 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086785295 1203092481 /nfs/dbraw/zinc/09/24/81/1203092481.db2.gz RXCAITAGJWJWBM-UXLLHSPISA-N 2 0 364.494 0.299 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001170870976 1203106704 /nfs/dbraw/zinc/10/67/04/1203106704.db2.gz WFTBNSHNJAEXMP-HUUCEWRRSA-N 2 0 362.478 0.523 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817926911 1203124607 /nfs/dbraw/zinc/12/46/07/1203124607.db2.gz WJHFLEIDRDTXBU-SFHVURJKSA-N 2 0 360.502 0.687 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000817926528 1203126743 /nfs/dbraw/zinc/12/67/43/1203126743.db2.gz MGUZMRUSLPURDH-MOPGFXCFSA-N 2 0 372.513 0.830 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000817951764 1203127751 /nfs/dbraw/zinc/12/77/51/1203127751.db2.gz HCKIFHONQOIWPP-PBHICJAKSA-N 2 0 362.474 0.281 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000817953435 1203127889 /nfs/dbraw/zinc/12/78/89/1203127889.db2.gz ONIYPFIPORVTNG-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)cn1 ZINC001086825361 1203151503 /nfs/dbraw/zinc/15/15/03/1203151503.db2.gz GVHHXYKJOIRWOQ-XYJFISCASA-N 2 0 363.506 0.969 20 0 FCADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182341 1203338271 /nfs/dbraw/zinc/33/82/71/1203338271.db2.gz JLNQFBAMDXFMLT-QGZVFWFLSA-N 2 0 362.474 0.848 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844190903 1203338495 /nfs/dbraw/zinc/33/84/95/1203338495.db2.gz FJJSZXQJSNZVKZ-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CCC([NH3+])CC1 ZINC000844221110 1203340185 /nfs/dbraw/zinc/34/01/85/1203340185.db2.gz VERPVQKCYYEJCW-UHFFFAOYSA-N 2 0 367.538 0.247 20 0 FCADRP COC(=O)[C@@]1(NC(=O)C2CC3(C[NH2+]C3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228400 1224810162 /nfs/dbraw/zinc/81/01/62/1224810162.db2.gz LSVJGAKKPZVBRZ-HXUWFJFHSA-N 2 0 357.454 0.920 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001220228647 1224810403 /nfs/dbraw/zinc/81/04/03/1224810403.db2.gz SCKYCYNNDZOKFB-MDZRGWNJSA-N 2 0 363.433 0.868 20 0 FCADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C(=O)OCC ZINC001220230151 1224810933 /nfs/dbraw/zinc/81/09/33/1224810933.db2.gz AWJCLYHUXJIOPV-GJZGRUSLSA-N 2 0 373.494 0.873 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281827 1224820037 /nfs/dbraw/zinc/82/00/37/1224820037.db2.gz AIXSVDJNEZVZOI-XIRDDKMYSA-N 2 0 362.474 0.271 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001091035965 1204449073 /nfs/dbraw/zinc/44/90/73/1204449073.db2.gz OZTUDJRSKSOEQP-PRLABOORSA-N 2 0 360.506 0.939 20 0 FCADRP O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCN1 ZINC001220356843 1224841409 /nfs/dbraw/zinc/84/14/09/1224841409.db2.gz FMRDAMPTYXDBDY-ULQDDVLXSA-N 2 0 360.458 0.123 20 0 FCADRP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091543679 1204709251 /nfs/dbraw/zinc/70/92/51/1204709251.db2.gz NJYUHYHLMAUKNB-ALKREAHSSA-N 2 0 359.474 0.860 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091677618 1204818366 /nfs/dbraw/zinc/81/83/66/1204818366.db2.gz PNWZNGJHVADBQT-HLIPFELVSA-N 2 0 360.502 0.341 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673114 1204818915 /nfs/dbraw/zinc/81/89/15/1204818915.db2.gz ZMECAVJAFDFNSW-QINHECLXSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754057 1204843964 /nfs/dbraw/zinc/84/39/64/1204843964.db2.gz AXDKNWOHUJGMCG-AOIWGVFYSA-N 2 0 360.506 0.933 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001086855397 1204850483 /nfs/dbraw/zinc/85/04/83/1204850483.db2.gz XTCNOXLKLCKJKQ-LSDHHAIUSA-N 2 0 357.462 0.927 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273454068 1204850838 /nfs/dbraw/zinc/85/08/38/1204850838.db2.gz MAVVULSNDGSDQX-DTYCBIMDSA-N 2 0 362.518 0.679 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)C12CC[NH+](CC1)C2 ZINC001086854394 1204852763 /nfs/dbraw/zinc/85/27/63/1204852763.db2.gz WZHLGOCGPYWZCD-UONOGXRCSA-N 2 0 359.478 0.478 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086882662 1204856787 /nfs/dbraw/zinc/85/67/87/1204856787.db2.gz DRWYPOXMVGVMOJ-BBWFWOEESA-N 2 0 365.522 0.761 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)C1 ZINC001086875369 1204858595 /nfs/dbraw/zinc/85/85/95/1204858595.db2.gz PUMWJTZZPLWCHU-ARFHVFGLSA-N 2 0 360.506 0.941 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cnn(C)c1 ZINC001086987941 1204881552 /nfs/dbraw/zinc/88/15/52/1204881552.db2.gz VWCZHXBKFNIWPT-DOPJRALCSA-N 2 0 368.441 0.646 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087034940 1204909500 /nfs/dbraw/zinc/90/95/00/1204909500.db2.gz FADRDNAEAZSWCC-BRWVUGGUSA-N 2 0 363.506 0.950 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087059870 1204944297 /nfs/dbraw/zinc/94/42/97/1204944297.db2.gz YLFKZXVVCUEEPY-HUUCEWRRSA-N 2 0 364.494 0.551 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087059491 1204944771 /nfs/dbraw/zinc/94/47/71/1204944771.db2.gz ILHHWXZDSOZZDF-HUUCEWRRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087059529 1204944815 /nfs/dbraw/zinc/94/48/15/1204944815.db2.gz KNYYTNILOHKTBH-RHSMWYFYSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087063417 1204950820 /nfs/dbraw/zinc/95/08/20/1204950820.db2.gz XMLSJDRTFYIYLZ-KBAYOESNSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083640 1204970290 /nfs/dbraw/zinc/97/02/90/1204970290.db2.gz NQEGGIZXAIWVCO-LZLYRXPVSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083906 1204973013 /nfs/dbraw/zinc/97/30/13/1204973013.db2.gz XJYLGVGNPYVGET-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087096922 1205004226 /nfs/dbraw/zinc/00/42/26/1205004226.db2.gz LCMPOGCRDUDCEW-HZPDHXFCSA-N 2 0 361.490 0.469 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776638 1205010117 /nfs/dbraw/zinc/01/01/17/1205010117.db2.gz NGDPMFYELYSELG-MDZRGWNJSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001091959783 1205093360 /nfs/dbraw/zinc/09/33/60/1205093360.db2.gz FULCHRWSYNKEOV-CLCXKQKWSA-N 2 0 360.458 0.624 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2CN(C)CC3)[C@@H]1C ZINC001091996585 1205097635 /nfs/dbraw/zinc/09/76/35/1205097635.db2.gz SFNPAXSCFMIBNB-ZBFHGGJFSA-N 2 0 360.506 0.890 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220428998 1224869112 /nfs/dbraw/zinc/86/91/12/1224869112.db2.gz JALVBMJACDFZCP-HOTGVXAUSA-N 2 0 363.458 0.616 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)cc1 ZINC001092016485 1205115832 /nfs/dbraw/zinc/11/58/32/1205115832.db2.gz RPGCUSVHCDURME-XLIONFOSSA-N 2 0 358.486 0.670 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220432182 1224870330 /nfs/dbraw/zinc/87/03/30/1224870330.db2.gz ZZOICUFVQPBXFF-QAPCUYQASA-N 2 0 357.458 0.219 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)c2cc3ccccc3o2)C1 ZINC001220431456 1224870400 /nfs/dbraw/zinc/87/04/00/1224870400.db2.gz HGRPSMPRARDGJL-IIDMSEBBSA-N 2 0 358.442 0.612 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092100901 1205157430 /nfs/dbraw/zinc/15/74/30/1205157430.db2.gz DFYYMEUMBKCVKK-XLIONFOSSA-N 2 0 358.486 0.888 20 0 FCADRP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)nn1 ZINC001092203162 1205197840 /nfs/dbraw/zinc/19/78/40/1205197840.db2.gz GISMWGVCLPQMKM-BEFAXECRSA-N 2 0 371.485 0.861 20 0 FCADRP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001092300240 1205233517 /nfs/dbraw/zinc/23/35/17/1205233517.db2.gz SQFDIRQMDOKETD-UZLBHIALSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620313 1205329774 /nfs/dbraw/zinc/32/97/74/1205329774.db2.gz AYQQDXWRUQSTCB-DTTOXWODSA-N 2 0 362.522 0.919 20 0 FCADRP [NH3+][C@H](CNC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC001220503558 1224894977 /nfs/dbraw/zinc/89/49/77/1224894977.db2.gz DXARGSOMVUDQBU-WBVHZDCISA-N 2 0 366.425 0.820 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[NH2+]C[C@H]3O)cc2)CC1 ZINC001220515763 1224899092 /nfs/dbraw/zinc/89/90/92/1224899092.db2.gz JVNQQCVHLQWQMM-WJTDJKIZSA-N 2 0 360.458 0.290 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1 ZINC001220517404 1224899853 /nfs/dbraw/zinc/89/98/53/1224899853.db2.gz KDOCPHXUPYZNEU-MAUKXSAKSA-N 2 0 359.474 0.514 20 0 FCADRP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517155 1224900627 /nfs/dbraw/zinc/90/06/27/1224900627.db2.gz YTDCXQAHPHIHPP-IBQUMJASSA-N 2 0 363.506 0.966 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533969 1224911231 /nfs/dbraw/zinc/91/12/31/1224911231.db2.gz VCZVSMAJUSJTOL-UXHICEINSA-N 2 0 371.481 0.876 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136977 1206033422 /nfs/dbraw/zinc/03/34/22/1206033422.db2.gz GKBYGXKQCYSLHS-CKEIUWERSA-N 2 0 359.474 0.676 20 0 FCADRP COc1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193535 1206052882 /nfs/dbraw/zinc/05/28/82/1206052882.db2.gz JIRDALDDUKUBCD-FVQBIDKESA-N 2 0 361.490 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093281987 1206072154 /nfs/dbraw/zinc/07/21/54/1206072154.db2.gz XEYSKGTVCLCNIY-CKEIUWERSA-N 2 0 355.442 0.911 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093768025 1206112131 /nfs/dbraw/zinc/11/21/31/1206112131.db2.gz JDBMZCPMPGSQDP-RBSFLKMASA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001093781100 1206114667 /nfs/dbraw/zinc/11/46/67/1206114667.db2.gz WHMZWMUNPQHDQV-IXYNUQLISA-N 2 0 361.494 0.532 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)CC[N@@H+]1C ZINC001093781992 1206115553 /nfs/dbraw/zinc/11/55/53/1206115553.db2.gz QTQMZXWBLIUTRF-APIJFGDWSA-N 2 0 364.494 0.023 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093821868 1206123090 /nfs/dbraw/zinc/12/30/90/1206123090.db2.gz HNAAUABGZVSHIS-BZUAXINKSA-N 2 0 363.510 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093822434 1206124382 /nfs/dbraw/zinc/12/43/82/1206124382.db2.gz QQHUAVNGWCNPHD-LSBZLQRGSA-N 2 0 360.502 0.910 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093821870 1206124385 /nfs/dbraw/zinc/12/43/85/1206124385.db2.gz HNAAUABGZVSHIS-OAGGEKHMSA-N 2 0 363.510 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093894023 1206152016 /nfs/dbraw/zinc/15/20/16/1206152016.db2.gz FQYQIMHCDHDTEP-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093894020 1206152158 /nfs/dbraw/zinc/15/21/58/1206152158.db2.gz FNKSGCHIKOSORF-TZMCWYRMSA-N 2 0 354.418 0.356 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001094011112 1206169626 /nfs/dbraw/zinc/16/96/26/1206169626.db2.gz ZXSWFGJZMGBTAH-GDBMZVCRSA-N 2 0 363.510 0.780 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)C1 ZINC001094041784 1206174340 /nfs/dbraw/zinc/17/43/40/1206174340.db2.gz FGZJNXGRPOIQQH-LZLYRXPVSA-N 2 0 360.502 0.911 20 0 FCADRP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001094137730 1206191189 /nfs/dbraw/zinc/19/11/89/1206191189.db2.gz WEQWSOIJFMQDSI-UKRRQHHQSA-N 2 0 364.494 0.408 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001094137153 1206191560 /nfs/dbraw/zinc/19/15/60/1206191560.db2.gz IZOHWVWBXANCMF-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094219152 1206202593 /nfs/dbraw/zinc/20/25/93/1206202593.db2.gz FQNKFNYQTSFQEQ-HYVNUMGLSA-N 2 0 360.506 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094219404 1206203278 /nfs/dbraw/zinc/20/32/78/1206203278.db2.gz JUILBQDULWWRGW-BZUAXINKSA-N 2 0 360.506 0.750 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001094221103 1206203846 /nfs/dbraw/zinc/20/38/46/1206203846.db2.gz PSVGTPBENGPBAP-JFIYKMOQSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CCCC4)C3)C2)CC[N@@H+]1C ZINC001094738863 1206244760 /nfs/dbraw/zinc/24/47/60/1206244760.db2.gz OZJYJZPMRWOKCT-UWWQBHOKSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001171718245 1206251201 /nfs/dbraw/zinc/25/12/01/1206251201.db2.gz RUCCNKDAQKJNHC-CQSZACIVSA-N 2 0 368.478 0.618 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@H]2C(=O)N(C)C ZINC001172132730 1206257079 /nfs/dbraw/zinc/25/70/79/1206257079.db2.gz NOHNROJBUAOISN-MHORFTMASA-N 2 0 362.518 0.870 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001172118844 1206258165 /nfs/dbraw/zinc/25/81/65/1206258165.db2.gz TYIKTYMCUWQQSR-LDLYASANSA-N 3 0 373.538 0.616 20 0 FCADRP [NH3+]CCN1CC[NH+](C2CCN(CC(=O)OCc3ccccc3)CC2)CC1 ZINC001173462768 1206274840 /nfs/dbraw/zinc/27/48/40/1206274840.db2.gz TXWDBHIPIGZXDU-UHFFFAOYSA-N 2 0 360.502 0.771 20 0 FCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173497053 1206275306 /nfs/dbraw/zinc/27/53/06/1206275306.db2.gz QYYBLPAZGUUAOX-DLBZAZTESA-N 2 0 362.474 0.313 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749465 1206287320 /nfs/dbraw/zinc/28/73/20/1206287320.db2.gz CQERKFQXAKDMJE-ZJPYXAASSA-N 2 0 364.494 0.826 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)C(C)C ZINC001220572914 1224941618 /nfs/dbraw/zinc/94/16/18/1224941618.db2.gz NTZSDUFBXMCOLC-FGTMMUONSA-N 2 0 365.522 0.490 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001178523147 1206358983 /nfs/dbraw/zinc/35/89/83/1206358983.db2.gz UQSRSBUYSFWVPU-HZPDHXFCSA-N 2 0 366.506 0.742 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC3)CC1 ZINC001178691899 1206362461 /nfs/dbraw/zinc/36/24/61/1206362461.db2.gz JCKWWXKUPJJHPH-QGZVFWFLSA-N 2 0 360.506 0.457 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C24CC[NH+](CC2)CC4)CC3)CC1 ZINC001181548605 1206410715 /nfs/dbraw/zinc/41/07/15/1206410715.db2.gz FHGZNABVRQJHNV-UHFFFAOYSA-N 2 0 372.517 0.459 20 0 FCADRP O=C(CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CC[NH+](C2CCCCC2)CC1 ZINC001182017909 1206419853 /nfs/dbraw/zinc/41/98/53/1206419853.db2.gz UTZFBHZWGYHNMO-SFHVURJKSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001184445614 1206470236 /nfs/dbraw/zinc/47/02/36/1206470236.db2.gz VPYDDXDFYPNVLV-ZDUSSCGKSA-N 2 0 370.494 0.550 20 0 FCADRP CN1CCN(C)[C@H](C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)C1 ZINC001185252178 1206477645 /nfs/dbraw/zinc/47/76/45/1206477645.db2.gz RUFWPHORLNPPHQ-INIZCTEOSA-N 2 0 357.458 0.089 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784411 1206485370 /nfs/dbraw/zinc/48/53/70/1206485370.db2.gz VKCPDUXFERAPCW-HCXYKTFWSA-N 2 0 361.486 0.530 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001186354166 1206496032 /nfs/dbraw/zinc/49/60/32/1206496032.db2.gz YOKNLXHROFSEQJ-ZDUSSCGKSA-N 2 0 363.462 0.193 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001220637342 1224977939 /nfs/dbraw/zinc/97/79/39/1224977939.db2.gz BXVXBHRGUAZCGS-ZACQAIPSSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220642460 1224981240 /nfs/dbraw/zinc/98/12/40/1224981240.db2.gz BVNWRUBBRZWCOF-NXHRZFHOSA-N 2 0 369.506 0.218 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)[C@@H]2C1 ZINC001188374858 1207447867 /nfs/dbraw/zinc/44/78/67/1207447867.db2.gz DCZYLCVHLCPGFD-GVDBMIGSSA-N 2 0 362.474 0.641 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001189035420 1207497754 /nfs/dbraw/zinc/49/77/54/1207497754.db2.gz YVBXMSACTINLHN-FUHWJXTLSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189151708 1207512988 /nfs/dbraw/zinc/51/29/88/1207512988.db2.gz NYBUSBNFOVGKOQ-IPMKNSEASA-N 2 0 370.497 0.582 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802082 1207610026 /nfs/dbraw/zinc/61/00/26/1207610026.db2.gz RCMJFSVHFNAVFO-RCCFBDPRSA-N 2 0 365.518 0.648 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189913666 1207619658 /nfs/dbraw/zinc/61/96/58/1207619658.db2.gz UUTXXHBHBICCAB-OKZBNKHCSA-N 2 0 371.522 0.275 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)CC3)C2 ZINC001273589817 1207620643 /nfs/dbraw/zinc/62/06/43/1207620643.db2.gz RJSDXPARRFCHQY-IBGZPJMESA-N 2 0 362.518 0.875 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923140 1207621601 /nfs/dbraw/zinc/62/16/01/1207621601.db2.gz JIRSCIUOBXIGOM-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001190238766 1207666749 /nfs/dbraw/zinc/66/67/49/1207666749.db2.gz PSHROFZVDHJRLN-OWCLPIDISA-N 2 0 367.538 0.957 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220682118 1225011454 /nfs/dbraw/zinc/01/14/54/1225011454.db2.gz UTEGXNWUMZIQPO-MOPGFXCFSA-N 2 0 371.485 0.875 20 0 FCADRP CN1CCN(c2cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)ncn2)CC1=O ZINC000775444894 1207763580 /nfs/dbraw/zinc/76/35/80/1207763580.db2.gz DSFOVUNZSMHZEN-MRXNPFEDSA-N 2 0 374.489 0.810 20 0 FCADRP COCCOC(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001193398207 1207872193 /nfs/dbraw/zinc/87/21/93/1207872193.db2.gz QLYIMXIFOVJNTJ-UHFFFAOYSA-N 2 0 368.522 0.946 20 0 FCADRP CCC(CC)NC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773715 1207888050 /nfs/dbraw/zinc/88/80/50/1207888050.db2.gz CDINUHNATSEYDW-FVQBIDKESA-N 2 0 368.522 0.325 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821462 1207892489 /nfs/dbraw/zinc/89/24/89/1207892489.db2.gz JIKKISXCFWTLNK-RTBURBONSA-N 2 0 361.486 0.849 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821837 1207892570 /nfs/dbraw/zinc/89/25/70/1207892570.db2.gz SWZVRWTYBCZCIK-GUDVDZBRSA-N 2 0 361.486 0.236 20 0 FCADRP [NH3+]Cc1ncccc1NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220711290 1225029132 /nfs/dbraw/zinc/02/91/32/1225029132.db2.gz NJRSECUZKPBPHU-CQSZACIVSA-N 2 0 373.482 0.856 20 0 FCADRP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831915 1207978002 /nfs/dbraw/zinc/97/80/02/1207978002.db2.gz IVWKFBGNOAHGDT-NWNORPDESA-N 2 0 363.502 0.757 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194961473 1207984636 /nfs/dbraw/zinc/98/46/36/1207984636.db2.gz OCMJLODOWHQNIQ-RTBURBONSA-N 2 0 363.502 0.992 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1O ZINC001195869966 1208045049 /nfs/dbraw/zinc/04/50/49/1208045049.db2.gz GHJJRFUZKGQWCU-IAGOWNOFSA-N 2 0 366.506 0.033 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nccn(Cc2ccc(F)cc2)c1=O ZINC001196120366 1208059069 /nfs/dbraw/zinc/05/90/69/1208059069.db2.gz JIXNGWSBUDCGNR-UHFFFAOYSA-N 2 0 360.393 0.505 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001197319377 1208152387 /nfs/dbraw/zinc/15/23/87/1208152387.db2.gz BXVXBHRGUAZCGS-GVDBMIGSSA-N 2 0 369.506 0.074 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]([NH3+])COC(C)=O)CC2)cc1 ZINC001220743708 1225048068 /nfs/dbraw/zinc/04/80/68/1225048068.db2.gz MSHYLGQTZIUHKU-SFHVURJKSA-N 2 0 363.458 0.709 20 0 FCADRP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)c1 ZINC001197783873 1208196738 /nfs/dbraw/zinc/19/67/38/1208196738.db2.gz QYPMJUOLVPNLTO-RTBURBONSA-N 2 0 363.502 0.851 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC2)cc1 ZINC001220743831 1225048534 /nfs/dbraw/zinc/04/85/34/1225048534.db2.gz RKUFJWXKGZNKNA-FFZOFVMBSA-N 2 0 372.513 0.768 20 0 FCADRP Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826253 1208201856 /nfs/dbraw/zinc/20/18/56/1208201856.db2.gz SKEOXWALKBEFKT-RTBURBONSA-N 2 0 363.502 0.667 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CC3(CCN3C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835747 1208406789 /nfs/dbraw/zinc/40/67/89/1208406789.db2.gz QIIIAGGIECRSLA-SJORKVTESA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CC3(CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C3)C2)C1 ZINC001273834287 1208409403 /nfs/dbraw/zinc/40/94/03/1208409403.db2.gz CMYWYXXZDOVPCX-DLBZAZTESA-N 2 0 360.502 0.483 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001488981979 1208598152 /nfs/dbraw/zinc/59/81/52/1208598152.db2.gz BRVUQJUNVKNBOX-BHYGNILZSA-N 2 0 351.495 0.681 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001489206132 1208670000 /nfs/dbraw/zinc/67/00/00/1208670000.db2.gz OWJFTIKIJKVQSI-QYZOEREBSA-N 2 0 367.534 0.894 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489381264 1208803149 /nfs/dbraw/zinc/80/31/49/1208803149.db2.gz AAUVWMAELBCZDO-BRWVUGGUSA-N 2 0 368.522 0.279 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489399595 1208832125 /nfs/dbraw/zinc/83/21/25/1208832125.db2.gz VNJWLGUXPRVLPU-BRWVUGGUSA-N 2 0 368.522 0.279 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[NH2+]C1 ZINC001220829061 1225094503 /nfs/dbraw/zinc/09/45/03/1225094503.db2.gz WUGMSHYOMIUPRV-ZDUSSCGKSA-N 2 0 356.426 0.964 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1OC ZINC001489534772 1208896157 /nfs/dbraw/zinc/89/61/57/1208896157.db2.gz GWYOVQLWLQUTHX-GVDBMIGSSA-N 2 0 368.522 0.402 20 0 FCADRP CCOC(=O)C1(NC(=O)C2(Cc3ccccc3F)CC[NH2+]CC2)C[NH2+]C1 ZINC001220851131 1225106914 /nfs/dbraw/zinc/10/69/14/1225106914.db2.gz IWEBFCHUJUATFL-UHFFFAOYSA-N 2 0 363.433 0.759 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001220853368 1225109510 /nfs/dbraw/zinc/10/95/10/1225109510.db2.gz XYKNJEQCFYFQTO-HNNXBMFYSA-N 2 0 356.430 0.089 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC001220913598 1225137250 /nfs/dbraw/zinc/13/72/50/1225137250.db2.gz WWWXAJVJGYTXOP-IAGOWNOFSA-N 2 0 361.442 0.277 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]CCN3)CC2)c1 ZINC001220913568 1225137290 /nfs/dbraw/zinc/13/72/90/1225137290.db2.gz VXPVYTKEHMEGHF-QGZVFWFLSA-N 2 0 360.458 0.115 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000850595843 1209460344 /nfs/dbraw/zinc/46/03/44/1209460344.db2.gz GOVSBYQOKWPFCP-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851879591 1209522905 /nfs/dbraw/zinc/52/29/05/1209522905.db2.gz LELGGVLINMYTFF-NRFANRHFSA-N 2 0 374.529 0.850 20 0 FCADRP Cc1ccc([C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)N2CCC([NH3+])CC2)cc1 ZINC001220937537 1225148745 /nfs/dbraw/zinc/14/87/45/1225148745.db2.gz UTMCCZVTLCQSCY-MOPGFXCFSA-N 2 0 360.502 0.954 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937322 1225148759 /nfs/dbraw/zinc/14/87/59/1225148759.db2.gz OWEBQKZPQJLLIE-KSZLIROESA-N 2 0 374.485 0.042 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853683405 1209603059 /nfs/dbraw/zinc/60/30/59/1209603059.db2.gz SDJBXRGUMMPMMU-KZNAEPCWSA-N 2 0 366.506 0.746 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc(-c4cn(CC[NH3+])nn4)n3)cn2)CC1 ZINC000854147137 1209616917 /nfs/dbraw/zinc/61/69/17/1209616917.db2.gz WWUWFCCSLAICMC-UHFFFAOYSA-N 2 0 369.433 0.491 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccn1 ZINC000857444254 1209752804 /nfs/dbraw/zinc/75/28/04/1209752804.db2.gz PBDVROSDERGIPA-SFHVURJKSA-N 2 0 355.442 0.839 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000861574424 1209871816 /nfs/dbraw/zinc/87/18/16/1209871816.db2.gz UKCVNLDTCJEHQO-WMLDXEAASA-N 2 0 361.490 0.873 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861749561 1209879534 /nfs/dbraw/zinc/87/95/34/1209879534.db2.gz CJUHGUZBFLFWCK-SJORKVTESA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001220975033 1225169211 /nfs/dbraw/zinc/16/92/11/1225169211.db2.gz OADSJTLXSQLLFI-QGZVFWFLSA-N 2 0 374.460 0.332 20 0 FCADRP COC(=O)N1CCC([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000777256492 1209912054 /nfs/dbraw/zinc/91/20/54/1209912054.db2.gz YJYYIYVAPWLXRG-HNNXBMFYSA-N 2 0 371.526 0.988 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000863773990 1209951874 /nfs/dbraw/zinc/95/18/74/1209951874.db2.gz NLUZCWUXQLVTDT-OXJNMPFZSA-N 2 0 358.486 0.917 20 0 FCADRP O=C(NC[C@H]1CC[NH+](C2CC2)C1)C(F)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864962365 1209968486 /nfs/dbraw/zinc/96/84/86/1209968486.db2.gz LDNHIDPRDWZKOG-ZIAGYGMSSA-N 2 0 366.481 0.526 20 0 FCADRP O=C(NCc1cccc(N2CCOCC2=O)c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220990200 1225177042 /nfs/dbraw/zinc/17/70/42/1225177042.db2.gz CHTZELYMGKOUIR-KRWDZBQOSA-N 2 0 372.469 0.540 20 0 FCADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000865605132 1209981573 /nfs/dbraw/zinc/98/15/73/1209981573.db2.gz NCNBEBOXOLLBRS-HZPDHXFCSA-N 2 0 366.481 0.526 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CCOCC2)c1 ZINC001220990720 1225177594 /nfs/dbraw/zinc/17/75/94/1225177594.db2.gz WLKVWDHSXYBXBD-KRWDZBQOSA-N 2 0 362.474 0.582 20 0 FCADRP O=C(/C=C\CN1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000866768145 1210005746 /nfs/dbraw/zinc/00/57/46/1210005746.db2.gz PLXRRPSDANFJLC-GIHXKGJKSA-N 2 0 373.497 0.874 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2F)CC1 ZINC000868248864 1210047112 /nfs/dbraw/zinc/04/71/12/1210047112.db2.gz XOWXFYUHBMKJRT-ZDUSSCGKSA-N 2 0 365.453 0.617 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000868309150 1210051248 /nfs/dbraw/zinc/05/12/48/1210051248.db2.gz FJPMDOLUXRQNRK-UHFFFAOYSA-N 2 0 373.501 0.583 20 0 FCADRP O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221031850 1225193000 /nfs/dbraw/zinc/19/30/00/1225193000.db2.gz USRYDXQMFJMJSG-DLBZAZTESA-N 2 0 360.433 0.461 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2ncccc12 ZINC000872856013 1210213275 /nfs/dbraw/zinc/21/32/75/1210213275.db2.gz SFCPTNZLVMLXSF-UHFFFAOYSA-N 2 0 371.485 0.803 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C1CC(C[NH3+])C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072422 1225209550 /nfs/dbraw/zinc/20/95/50/1225209550.db2.gz BMJJWFLQVDZQPO-XYLUMXTOSA-N 2 0 369.506 0.390 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876777354 1210428646 /nfs/dbraw/zinc/42/86/46/1210428646.db2.gz VYNAPXMGBWLFOV-SJORKVTESA-N 2 0 361.490 0.910 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]([NH3+])CCCNC(N)=O)CC[NH2+]CC2)c1 ZINC001221094318 1225220109 /nfs/dbraw/zinc/22/01/09/1225220109.db2.gz PGCBCUMTLNSSQT-HNNXBMFYSA-N 2 0 363.462 0.166 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114059 1225226660 /nfs/dbraw/zinc/22/66/60/1225226660.db2.gz LHZBSQZECLYUIU-ZACQAIPSSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221114095 1225226965 /nfs/dbraw/zinc/22/69/65/1225226965.db2.gz MRVKODXBIHCFOL-ROUUACIJSA-N 2 0 371.529 0.893 20 0 FCADRP [NH3+]C1(C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)CCC2(CC1)OCCO2 ZINC001221114028 1225227112 /nfs/dbraw/zinc/22/71/12/1225227112.db2.gz KEIRAGYYNFHMML-UHFFFAOYSA-N 2 0 374.485 0.834 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221113828 1225227397 /nfs/dbraw/zinc/22/73/97/1225227397.db2.gz CVCIWFGYCALCMD-MRXNPFEDSA-N 3 0 357.502 0.693 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116304 1225227971 /nfs/dbraw/zinc/22/79/71/1225227971.db2.gz UWJJTJBHAPFBHG-HUUCEWRRSA-N 2 0 360.458 0.218 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000883065384 1210651277 /nfs/dbraw/zinc/65/12/77/1210651277.db2.gz JWIOETIRJOLGHA-UHFFFAOYSA-N 2 0 365.522 0.986 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883606592 1210673702 /nfs/dbraw/zinc/67/37/02/1210673702.db2.gz XFRLVOSGBIJYJC-MRXNPFEDSA-N 2 0 359.474 0.763 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883608983 1210674377 /nfs/dbraw/zinc/67/43/77/1210674377.db2.gz LSFTYZRWDHGTJZ-PBHICJAKSA-N 2 0 359.474 0.763 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883639092 1210677219 /nfs/dbraw/zinc/67/72/19/1210677219.db2.gz GFWARWNXPHVKIH-HRCADAONSA-N 2 0 357.458 0.472 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883638700 1210677270 /nfs/dbraw/zinc/67/72/70/1210677270.db2.gz UMEAUVPDYGZLSP-NVXWUHKLSA-N 2 0 361.490 0.951 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[C@H]1C[NH3+] ZINC000883640426 1210677513 /nfs/dbraw/zinc/67/75/13/1210677513.db2.gz PIKNQSUBEONGMY-VYDXJSESSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883639693 1210677801 /nfs/dbraw/zinc/67/78/01/1210677801.db2.gz WGEMRKDBAVZWPS-LSDHHAIUSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883643489 1210678400 /nfs/dbraw/zinc/67/84/00/1210678400.db2.gz NAOQOWBFOYXDKK-JXFKEZNVSA-N 2 0 371.485 0.721 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CCC1CCOCC1)CC2 ZINC001202637500 1210713461 /nfs/dbraw/zinc/71/34/61/1210713461.db2.gz LKKOTGWMLCBYSD-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884205780 1210722792 /nfs/dbraw/zinc/72/27/92/1210722792.db2.gz FZZJPQCUXKKUDS-IAGOWNOFSA-N 2 0 360.506 0.938 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884388499 1210732375 /nfs/dbraw/zinc/73/23/75/1210732375.db2.gz XODRVMCHAJFASU-KZNAEPCWSA-N 2 0 373.501 0.992 20 0 FCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427120 1210734740 /nfs/dbraw/zinc/73/47/40/1210734740.db2.gz IHYKKWVZQRTQSG-DOTOQJQBSA-N 2 0 361.442 0.454 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494199 1210739340 /nfs/dbraw/zinc/73/93/40/1210739340.db2.gz MZMOBISWRRHASN-GJZGRUSLSA-N 2 0 374.476 0.832 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000884503467 1210740625 /nfs/dbraw/zinc/74/06/25/1210740625.db2.gz LZLPSKMROZPVNA-NJAFHUGGSA-N 2 0 358.486 0.615 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000884518364 1210743725 /nfs/dbraw/zinc/74/37/25/1210743725.db2.gz NDPUUGYENHABNV-QZTJIDSGSA-N 2 0 374.485 0.596 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884531883 1210745267 /nfs/dbraw/zinc/74/52/67/1210745267.db2.gz XJRFVNPUUOMSHW-CVEARBPZSA-N 2 0 366.506 0.333 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000884538618 1210746172 /nfs/dbraw/zinc/74/61/72/1210746172.db2.gz DISICECQYJSABP-CYBMUJFWSA-N 2 0 372.460 0.871 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001221136865 1225235641 /nfs/dbraw/zinc/23/56/41/1225235641.db2.gz WIVSNTCAIZOARR-INIZCTEOSA-N 2 0 362.474 0.029 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000884557104 1210750067 /nfs/dbraw/zinc/75/00/67/1210750067.db2.gz HCZQRNMKQUUUKO-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884557400 1210750420 /nfs/dbraw/zinc/75/04/20/1210750420.db2.gz OIWZRYVNRKAWGU-QGZVFWFLSA-N 2 0 373.501 0.892 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000884559684 1210750789 /nfs/dbraw/zinc/75/07/89/1210750789.db2.gz BJFDCLFJLZSKSN-KZNAEPCWSA-N 2 0 374.485 0.042 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884577363 1210755384 /nfs/dbraw/zinc/75/53/84/1210755384.db2.gz DHKIRHMFCVZPMB-CRAIPNDOSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576921 1210755603 /nfs/dbraw/zinc/75/56/03/1210755603.db2.gz TUFQNBHVIRSFCP-YJBOKZPZSA-N 2 0 358.486 0.665 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884597460 1210757893 /nfs/dbraw/zinc/75/78/93/1210757893.db2.gz BJUPWUDMGSEASD-INIZCTEOSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000884608926 1210761718 /nfs/dbraw/zinc/76/17/18/1210761718.db2.gz ZMEQKLPYBSZKTP-SYNHAJSKSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626124 1210765974 /nfs/dbraw/zinc/76/59/74/1210765974.db2.gz BCIUEFORGBAFBB-SJORKVTESA-N 2 0 356.470 0.692 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000884629954 1210767113 /nfs/dbraw/zinc/76/71/13/1210767113.db2.gz NQNNQKDTEIPZRZ-ZBFHGGJFSA-N 2 0 362.474 0.581 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000884630046 1210768077 /nfs/dbraw/zinc/76/80/77/1210768077.db2.gz UYVPCXIHBHYEJB-GOEBONIOSA-N 2 0 362.474 0.234 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884632624 1210768502 /nfs/dbraw/zinc/76/85/02/1210768502.db2.gz VJRKOXKHJVOXJJ-MSOLQXFVSA-N 2 0 371.485 0.767 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884632625 1210768891 /nfs/dbraw/zinc/76/88/91/1210768891.db2.gz VJRKOXKHJVOXJJ-QZTJIDSGSA-N 2 0 371.485 0.767 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000884646579 1210771996 /nfs/dbraw/zinc/77/19/96/1210771996.db2.gz XLFYBALDTLBVLY-LNNXQNCSSA-N 2 0 370.497 0.834 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CCCC2)CC1 ZINC000884656795 1210773933 /nfs/dbraw/zinc/77/39/33/1210773933.db2.gz ULUYPADHIOFTOO-LSDHHAIUSA-N 2 0 366.506 0.474 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000884659918 1210774106 /nfs/dbraw/zinc/77/41/06/1210774106.db2.gz HDIPOJQZALEXLB-OTWHNJEPSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000884660521 1210774143 /nfs/dbraw/zinc/77/41/43/1210774143.db2.gz VSHFWDSUJRNKTE-ZTFGCOKTSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000884660518 1210774446 /nfs/dbraw/zinc/77/44/46/1210774446.db2.gz VSHFWDSUJRNKTE-FHLIZLRMSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675065 1210776602 /nfs/dbraw/zinc/77/66/02/1210776602.db2.gz QSUXYHHDGALLGK-VQIMIIECSA-N 2 0 372.513 0.987 20 0 FCADRP CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884677684 1210778320 /nfs/dbraw/zinc/77/83/20/1210778320.db2.gz ALWCYDWSHBUPEW-DLBZAZTESA-N 2 0 362.449 0.899 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884676764 1210778528 /nfs/dbraw/zinc/77/85/28/1210778528.db2.gz XGVJFOTWJVIDHW-SJLPKXTDSA-N 2 0 360.502 0.987 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884688016 1210780812 /nfs/dbraw/zinc/78/08/12/1210780812.db2.gz QBHHTKQMZZCIRL-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1C[NH2+]C1 ZINC000884693073 1210782767 /nfs/dbraw/zinc/78/27/67/1210782767.db2.gz KWGVVAUWEOAKRK-UHFFFAOYSA-N 2 0 358.486 0.741 20 0 FCADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000884703477 1210783221 /nfs/dbraw/zinc/78/32/21/1210783221.db2.gz AUKZBBOSOFOQLO-RDJZCZTQSA-N 2 0 362.474 0.166 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884701873 1210783525 /nfs/dbraw/zinc/78/35/25/1210783525.db2.gz QQVINMKQJVEBAI-BPQIPLTHSA-N 2 0 360.502 0.970 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000884709269 1210784370 /nfs/dbraw/zinc/78/43/70/1210784370.db2.gz BEFWFYSGBPTFPD-OAHLLOKOSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884712505 1210785971 /nfs/dbraw/zinc/78/59/71/1210785971.db2.gz SJNXFVAIDIYJEM-BEFAXECRSA-N 2 0 359.474 0.625 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000884720722 1210788377 /nfs/dbraw/zinc/78/83/77/1210788377.db2.gz TUWBYYADBAYKCJ-BPQIPLTHSA-N 2 0 358.486 0.800 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000884720724 1210788906 /nfs/dbraw/zinc/78/89/06/1210788906.db2.gz TUWBYYADBAYKCJ-RYQLBKOJSA-N 2 0 358.486 0.800 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000884726860 1210790349 /nfs/dbraw/zinc/79/03/49/1210790349.db2.gz DYDMWKNGQBGEKY-LTIDMASMSA-N 2 0 371.485 0.623 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000884726861 1210790656 /nfs/dbraw/zinc/79/06/56/1210790656.db2.gz DYDMWKNGQBGEKY-QBPKDAKJSA-N 2 0 371.485 0.623 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884726660 1210790970 /nfs/dbraw/zinc/79/09/70/1210790970.db2.gz ZEEBCCZYEGBRFU-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000884778844 1210794425 /nfs/dbraw/zinc/79/44/25/1210794425.db2.gz KHKCBHCKVFKDBP-CRAIPNDOSA-N 2 0 373.501 0.463 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000884787209 1210795906 /nfs/dbraw/zinc/79/59/06/1210795906.db2.gz KLMXMPHNGWJIFW-HZPDHXFCSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884787308 1210796350 /nfs/dbraw/zinc/79/63/50/1210796350.db2.gz NQXLBCTZSFNQLG-INIZCTEOSA-N 2 0 364.490 0.101 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884834968 1210800419 /nfs/dbraw/zinc/80/04/19/1210800419.db2.gz ICDQRBVZHFFLKF-CGTJXYLNSA-N 2 0 358.486 0.691 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884851221 1210801380 /nfs/dbraw/zinc/80/13/80/1210801380.db2.gz HAXXKQIYTAOUOL-KRWDZBQOSA-N 2 0 358.486 0.890 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884884624 1210802927 /nfs/dbraw/zinc/80/29/27/1210802927.db2.gz GRIWGLRRYJVJGK-OAHLLOKOSA-N 2 0 368.522 0.186 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000884908284 1210803531 /nfs/dbraw/zinc/80/35/31/1210803531.db2.gz IPLLJWSOGUTEMC-BZUAXINKSA-N 2 0 359.474 0.752 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884911922 1210804018 /nfs/dbraw/zinc/80/40/18/1210804018.db2.gz WTBJOEXZVKFKMR-BRWVUGGUSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968811 1210805679 /nfs/dbraw/zinc/80/56/79/1210805679.db2.gz VODRBBPBOQECAE-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884974323 1210806212 /nfs/dbraw/zinc/80/62/12/1210806212.db2.gz RWIDNWQBKVQPCZ-OAHLLOKOSA-N 2 0 368.522 0.186 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884975907 1210806450 /nfs/dbraw/zinc/80/64/50/1210806450.db2.gz ILCMSFBIOCCKFL-HNNXBMFYSA-N 2 0 374.476 0.974 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982635 1210806503 /nfs/dbraw/zinc/80/65/03/1210806503.db2.gz GXTYIBDYDFBRME-ROUUACIJSA-N 2 0 374.485 0.262 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000884982445 1210806575 /nfs/dbraw/zinc/80/65/75/1210806575.db2.gz BXHNBFIDQQPPQY-GVDBMIGSSA-N 2 0 362.449 0.583 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000885005717 1210807689 /nfs/dbraw/zinc/80/76/89/1210807689.db2.gz YVMFMERQLUVFJK-YYIAUSFCSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000885012806 1210808035 /nfs/dbraw/zinc/80/80/35/1210808035.db2.gz NZOSILGYYXPOAS-NRSFXHEJSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000885140941 1210812316 /nfs/dbraw/zinc/81/23/16/1210812316.db2.gz CSVXILUSHAJHMW-PMPSAXMXSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000885152325 1210812972 /nfs/dbraw/zinc/81/29/72/1210812972.db2.gz KAUVSNPEIAUGSQ-APWZRJJASA-N 2 0 370.497 0.761 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885154426 1210813588 /nfs/dbraw/zinc/81/35/88/1210813588.db2.gz WLMUQMCAPPJEQR-FHLIZLRMSA-N 2 0 358.486 0.616 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167835 1210814404 /nfs/dbraw/zinc/81/44/04/1210814404.db2.gz PRRVOSRHVRQUMH-IPMKNSEASA-N 2 0 370.497 0.760 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000885167255 1210814491 /nfs/dbraw/zinc/81/44/91/1210814491.db2.gz LFTMMTBAJSHZMB-MOPGFXCFSA-N 2 0 370.497 0.904 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885163205 1210814538 /nfs/dbraw/zinc/81/45/38/1210814538.db2.gz YQINRBVBGQRONS-SFHVURJKSA-N 2 0 358.486 0.761 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000885200670 1210815461 /nfs/dbraw/zinc/81/54/61/1210815461.db2.gz IJCNNPPGVQDQET-UHFFFAOYSA-N 2 0 364.490 0.829 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885204414 1210815501 /nfs/dbraw/zinc/81/55/01/1210815501.db2.gz LUPAPNLIVYPQDT-IYBDPMFKSA-N 2 0 367.538 0.247 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885284428 1210817127 /nfs/dbraw/zinc/81/71/27/1210817127.db2.gz GKKSHGCMFUPKER-OAHLLOKOSA-N 2 0 374.476 0.928 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885294559 1210817577 /nfs/dbraw/zinc/81/75/77/1210817577.db2.gz IEGIWMCYKKAAEC-CQSZACIVSA-N 2 0 372.460 0.824 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000887006977 1210842263 /nfs/dbraw/zinc/84/22/63/1210842263.db2.gz AJSGZCHDRWVNIQ-AWEZNQCLSA-N 2 0 366.437 0.915 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000887004296 1210842486 /nfs/dbraw/zinc/84/24/86/1210842486.db2.gz KYJZIVYBKIIWTD-OAHLLOKOSA-N 2 0 362.478 0.689 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064217 1210844534 /nfs/dbraw/zinc/84/45/34/1210844534.db2.gz BYENDSFNPYSWNQ-QXCFHYIPSA-N 2 0 370.497 0.915 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081097 1210846333 /nfs/dbraw/zinc/84/63/33/1210846333.db2.gz LNTPAAWGDVSZCN-PMACEKPBSA-N 2 0 362.518 0.923 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000887091484 1210847012 /nfs/dbraw/zinc/84/70/12/1210847012.db2.gz MCQAXDFBNHPWBX-OXQOHEQNSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000887091641 1210847045 /nfs/dbraw/zinc/84/70/45/1210847045.db2.gz QQDHDTFULUVGMC-ATLSCFEFSA-N 2 0 371.485 0.705 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001274098479 1210880178 /nfs/dbraw/zinc/88/01/78/1210880178.db2.gz PJPGQYDCRUYZEN-IAGOWNOFSA-N 2 0 360.502 0.387 20 0 FCADRP C[C@@H](C(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](C)C ZINC001274158151 1210899847 /nfs/dbraw/zinc/89/98/47/1210899847.db2.gz VBYICAKSLIISAC-IYOUNJFTSA-N 2 0 362.478 0.324 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2)[NH+](C)C ZINC001274161097 1210900969 /nfs/dbraw/zinc/90/09/69/1210900969.db2.gz JINXADJNLAFASO-GOEBONIOSA-N 2 0 366.506 0.249 20 0 FCADRP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)C3(O)CC[NH+](C)CC3)(C1)CCC2 ZINC001274204928 1210910580 /nfs/dbraw/zinc/91/05/80/1210910580.db2.gz YVPJCWLIZFSRBN-MSOLQXFVSA-N 2 0 366.506 0.083 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000887924419 1210920678 /nfs/dbraw/zinc/92/06/78/1210920678.db2.gz KFRQMVOQPUPGJT-JJNZLZSFSA-N 2 0 366.481 0.145 20 0 FCADRP CCN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000890129779 1210965901 /nfs/dbraw/zinc/96/59/01/1210965901.db2.gz DGFNBTKNDWEVDT-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275093057 1211175269 /nfs/dbraw/zinc/17/52/69/1211175269.db2.gz IIRCAXVZFNQITK-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1)[NH+](C)C ZINC001275219258 1211198348 /nfs/dbraw/zinc/19/83/48/1211198348.db2.gz DHKAHFMVRYBWOU-IAGOWNOFSA-N 2 0 362.518 0.870 20 0 FCADRP O=C1CO[C@@]2(CC[N@H+](CCCC3OCCO3)C2)CN1CCn1ccnc1 ZINC001275294465 1211210704 /nfs/dbraw/zinc/21/07/04/1211210704.db2.gz WIIVHIREFPFAJY-GOSISDBHSA-N 2 0 364.446 0.340 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507854 1211252377 /nfs/dbraw/zinc/25/23/77/1211252377.db2.gz KXAAVQUDZDTVOC-AUUYWEPGSA-N 2 0 366.506 0.679 20 0 FCADRP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1C ZINC001275556438 1211256356 /nfs/dbraw/zinc/25/63/56/1211256356.db2.gz KTYLCNMVSZFBQJ-LJQANCHMSA-N 2 0 362.474 0.798 20 0 FCADRP CCOC(=O)c1n[nH]cc1C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001275556858 1211256583 /nfs/dbraw/zinc/25/65/83/1211256583.db2.gz PDRXWBJQACQZCU-GOSISDBHSA-N 2 0 363.462 0.572 20 0 FCADRP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1C ZINC001275556437 1211256657 /nfs/dbraw/zinc/25/66/57/1211256657.db2.gz KTYLCNMVSZFBQJ-IBGZPJMESA-N 2 0 362.474 0.798 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557529 1211257608 /nfs/dbraw/zinc/25/76/08/1211257608.db2.gz ZEXQMAPSDQJMEX-IBGZPJMESA-N 2 0 366.506 0.156 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736080 1211278516 /nfs/dbraw/zinc/27/85/16/1211278516.db2.gz AGOJMYNTVDLPJL-IBGZPJMESA-N 2 0 359.474 0.761 20 0 FCADRP COC[C@@H](C(=O)OC)N1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275737540 1211278631 /nfs/dbraw/zinc/27/86/31/1211278631.db2.gz LHFYFHQBECEODX-INIZCTEOSA-N 2 0 367.490 0.489 20 0 FCADRP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737571 1211278729 /nfs/dbraw/zinc/27/87/29/1211278729.db2.gz LNRDOTCZKBRFMV-KUHUBIRLSA-N 2 0 365.474 0.779 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001275743740 1211279927 /nfs/dbraw/zinc/27/99/27/1211279927.db2.gz WKVUPKRMMZWNDF-FQEVSTJZSA-N 3 0 366.550 0.831 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803707 1211287115 /nfs/dbraw/zinc/28/71/15/1211287115.db2.gz KOVIMYBZSTVQED-QUCCMNQESA-N 2 0 364.534 0.870 20 0 FCADRP CC1(C)OC[C@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)O1 ZINC001275812588 1211289507 /nfs/dbraw/zinc/28/95/07/1211289507.db2.gz AQAHPFKHLNGZBB-MAUKXSAKSA-N 2 0 364.446 0.338 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833326 1211293711 /nfs/dbraw/zinc/29/37/11/1211293711.db2.gz BAAQBKKAIBTLTM-KXBFYZLASA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552704 1211295571 /nfs/dbraw/zinc/29/55/71/1211295571.db2.gz GXSINKCSIVYNKH-MSOLQXFVSA-N 2 0 367.538 0.375 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)NC[C@@H]3CCC(=O)N3)CC2)C1 ZINC001275881345 1211305559 /nfs/dbraw/zinc/30/55/59/1211305559.db2.gz ZDEWWEFCKUTTIS-YESZJQIVSA-N 2 0 362.518 0.825 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001095424591 1211334071 /nfs/dbraw/zinc/33/40/71/1211334071.db2.gz WHSIWRYDFOTKBE-YRXWBPOGSA-N 2 0 370.497 0.949 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4c3OCO4)C2)OCC1=O ZINC001276131006 1211362347 /nfs/dbraw/zinc/36/23/47/1211362347.db2.gz SHYQSBYILLDOJJ-IBGZPJMESA-N 2 0 361.442 0.780 20 0 FCADRP Cc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001276258491 1211395743 /nfs/dbraw/zinc/39/57/43/1211395743.db2.gz BUGZWJOJNQCBBJ-IBGZPJMESA-N 2 0 359.474 0.875 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCCc2nccn21 ZINC001095531764 1211398300 /nfs/dbraw/zinc/39/83/00/1211398300.db2.gz QZAYBDPYZZZOSD-FXUDXRNXSA-N 2 0 372.473 0.507 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@]3(O)CC[N@H+](C)C3)CCCC2)CC1 ZINC000545176907 1211414577 /nfs/dbraw/zinc/41/45/77/1211414577.db2.gz QZNFUXQMJVNTCQ-LJQANCHMSA-N 2 0 368.522 0.776 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924668921 1211476881 /nfs/dbraw/zinc/47/68/81/1211476881.db2.gz SEKGOFIQASIQBD-KGLIPLIRSA-N 2 0 359.474 0.893 20 0 FCADRP C[C@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CN1CC[NH+](C)CC1 ZINC000924951586 1211486694 /nfs/dbraw/zinc/48/66/94/1211486694.db2.gz SJFFHPDVWMVRFY-ZIAGYGMSSA-N 2 0 359.474 0.751 20 0 FCADRP C(CN1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768336 1211508260 /nfs/dbraw/zinc/50/82/60/1211508260.db2.gz JOUHUBZNSWRZHB-MUGJNUQGSA-N 2 0 366.550 0.530 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000927648399 1211578624 /nfs/dbraw/zinc/57/86/24/1211578624.db2.gz KCFZSQRKENTOCL-OKZBNKHCSA-N 2 0 366.506 0.480 20 0 FCADRP COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337325 1225299671 /nfs/dbraw/zinc/29/96/71/1225299671.db2.gz PQRHKZISQLBYDP-HOTGVXAUSA-N 2 0 359.430 0.919 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000927884052 1211590203 /nfs/dbraw/zinc/59/02/03/1211590203.db2.gz UGGFZPMUIRAYES-HNNXBMFYSA-N 2 0 359.474 0.574 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000927888914 1211590632 /nfs/dbraw/zinc/59/06/32/1211590632.db2.gz ZGTXOKMAXRXLIT-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP Cc1cn(C)c(CC(=O)NC[C@H]2CC[NH+]2C)c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556212 1211604293 /nfs/dbraw/zinc/60/42/93/1211604293.db2.gz NQSYADBTCYWZGE-HUUCEWRRSA-N 2 0 361.490 0.130 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001110956724 1211615071 /nfs/dbraw/zinc/61/50/71/1211615071.db2.gz WVPDKEPJPUHUDE-VQHPVUNQSA-N 2 0 362.518 0.966 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)[NH2+]C1 ZINC001221391203 1225305423 /nfs/dbraw/zinc/30/54/23/1225305423.db2.gz CQMWHTLZILGESQ-ICSRJNTNSA-N 2 0 370.497 0.876 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2c1cccc2O ZINC001221394958 1225306675 /nfs/dbraw/zinc/30/66/75/1225306675.db2.gz KGVUTTFHHITNAX-ULQDDVLXSA-N 2 0 374.485 0.943 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cccnc1N1CC[NH2+]CC1 ZINC001221398840 1225306697 /nfs/dbraw/zinc/30/66/97/1225306697.db2.gz IIVLXHDFYAUSCR-KRWDZBQOSA-N 2 0 351.454 0.936 20 0 FCADRP C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)CC1 ZINC001221402950 1225306716 /nfs/dbraw/zinc/30/67/16/1225306716.db2.gz OBAVXNSMXMNZFW-MRXNPFEDSA-N 2 0 363.458 0.410 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c1 ZINC001221406943 1225307576 /nfs/dbraw/zinc/30/75/76/1225307576.db2.gz VQTZFCBZKRHDSM-JKSUJKDBSA-N 2 0 370.457 0.354 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000931254197 1211747803 /nfs/dbraw/zinc/74/78/03/1211747803.db2.gz IODLIRNDIXUKKG-IAGOWNOFSA-N 2 0 360.458 0.909 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931612711 1211763355 /nfs/dbraw/zinc/76/33/55/1211763355.db2.gz YVSJNQRKZUGQGO-HNNXBMFYSA-N 2 0 361.490 0.858 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000931611478 1211763486 /nfs/dbraw/zinc/76/34/86/1211763486.db2.gz VEIHCNONBMUEFY-PBHICJAKSA-N 2 0 359.474 0.707 20 0 FCADRP CC(C)[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000932774472 1211821089 /nfs/dbraw/zinc/82/10/89/1211821089.db2.gz WPZMCYPQBBXTSC-MRXNPFEDSA-N 2 0 366.510 0.185 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNC(=O)C2CC2)CC1 ZINC001111099991 1211880520 /nfs/dbraw/zinc/88/05/20/1211880520.db2.gz ZEIONBPZEBAYFN-KURKYZTESA-N 2 0 362.518 0.966 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1)C1CCC1 ZINC000968604069 1212042786 /nfs/dbraw/zinc/04/27/86/1212042786.db2.gz AMNGTAGYJUCENS-SJORKVTESA-N 2 0 371.441 0.349 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC000968728407 1212102137 /nfs/dbraw/zinc/10/21/37/1212102137.db2.gz NGGWYEMLDPOCEE-RBSFLKMASA-N 2 0 363.510 0.501 20 0 FCADRP CCC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277407 1212204479 /nfs/dbraw/zinc/20/44/79/1212204479.db2.gz PZEQXXKUUUZYMJ-OAGGEKHMSA-N 2 0 368.522 0.591 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001007370191 1212464273 /nfs/dbraw/zinc/46/42/73/1212464273.db2.gz XFMBTGIPXFJNEU-HRCADAONSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007481541 1212502740 /nfs/dbraw/zinc/50/27/40/1212502740.db2.gz NNZFVSBHEJHCFD-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007482177 1212503363 /nfs/dbraw/zinc/50/33/63/1212503363.db2.gz CAMGAWXMLCPFQQ-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(Cc1ncc[nH]1)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007499989 1212509260 /nfs/dbraw/zinc/50/92/60/1212509260.db2.gz IWTQMHJJYVWSNO-YRNRMSPPSA-N 2 0 371.485 0.791 20 0 FCADRP COc1ccncc1CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000950243776 1212539592 /nfs/dbraw/zinc/53/95/92/1212539592.db2.gz MERIBQJDZVNWKA-VNQPRFMTSA-N 2 0 360.458 0.690 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007857645 1212592804 /nfs/dbraw/zinc/59/28/04/1212592804.db2.gz PDEKYMDLAGNVPZ-JXFKEZNVSA-N 2 0 360.502 0.675 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000950791703 1212674834 /nfs/dbraw/zinc/67/48/34/1212674834.db2.gz AWZCITNUTGAWMR-XOKHGSTOSA-N 2 0 371.441 0.384 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000950809552 1212681711 /nfs/dbraw/zinc/68/17/11/1212681711.db2.gz JQNXUCSEWKSPMS-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620461 1225400294 /nfs/dbraw/zinc/40/02/94/1225400294.db2.gz GHWUZHMEQNPCIA-SJLPKXTDSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000952724096 1212973689 /nfs/dbraw/zinc/97/36/89/1212973689.db2.gz FXNZREOYCCSVRM-MDMSPXHWSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000954644358 1213095008 /nfs/dbraw/zinc/09/50/08/1213095008.db2.gz WGDNVLOAFKRIGL-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954649685 1213098064 /nfs/dbraw/zinc/09/80/64/1213098064.db2.gz RVESJSULIAFGRA-HYVNUMGLSA-N 2 0 366.506 0.249 20 0 FCADRP Cc1nccn1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000955364940 1213149917 /nfs/dbraw/zinc/14/99/17/1213149917.db2.gz YJCKCJNGXVKUFB-HUUCEWRRSA-N 2 0 356.430 0.398 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799308 1213216286 /nfs/dbraw/zinc/21/62/86/1213216286.db2.gz TXPARWNYYWLVDR-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000957096036 1213251279 /nfs/dbraw/zinc/25/12/79/1213251279.db2.gz BHKHKJXHFHJNNM-IJEWVQPXSA-N 2 0 359.474 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000957705128 1213349590 /nfs/dbraw/zinc/34/95/90/1213349590.db2.gz DBUIDJXDLLQBKS-HUUCEWRRSA-N 2 0 359.474 0.412 20 0 FCADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2)CC1 ZINC000644672609 1213353802 /nfs/dbraw/zinc/35/38/02/1213353802.db2.gz DDJXGRSUZQCCBT-LJQANCHMSA-N 2 0 371.485 0.731 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276318073 1213404095 /nfs/dbraw/zinc/40/40/95/1213404095.db2.gz UAWQOPVMTUQURZ-GOSISDBHSA-N 2 0 364.446 0.424 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771537 1225476000 /nfs/dbraw/zinc/47/60/00/1225476000.db2.gz ACRKTQSZCOWDSQ-FGTMMUONSA-N 2 0 367.534 0.894 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CCC1 ZINC000960415732 1213747387 /nfs/dbraw/zinc/74/73/87/1213747387.db2.gz NQUZBMXNMNIRIT-DLBZAZTESA-N 2 0 364.490 0.005 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001010667850 1213807733 /nfs/dbraw/zinc/80/77/33/1213807733.db2.gz QTFBWABQWOTVMX-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001221793289 1225482142 /nfs/dbraw/zinc/48/21/42/1225482142.db2.gz ZMCRNMCBZVPOFH-SOLBZPMBSA-N 2 0 365.474 0.642 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793250 1225482942 /nfs/dbraw/zinc/48/29/42/1225482942.db2.gz XVLFIKYAZFVRMP-KZNAEPCWSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCN2CCCC2=O)CC3)CC[N@@H+]1C ZINC001016634031 1214024984 /nfs/dbraw/zinc/02/49/84/1214024984.db2.gz ZIOQAHQOJXVOKS-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000419212514 1214075201 /nfs/dbraw/zinc/07/52/01/1214075201.db2.gz KKOKHMWPPPKTCC-FQEVSTJZSA-N 2 0 374.485 0.598 20 0 FCADRP CC(C)[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825633 1225505586 /nfs/dbraw/zinc/50/55/86/1225505586.db2.gz WIXQYOUETYDHCO-QUCCMNQESA-N 2 0 366.550 0.565 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419537670 1214216157 /nfs/dbraw/zinc/21/61/57/1214216157.db2.gz VYODGMHGCSUNIC-PLMTUMEDSA-N 2 0 370.497 0.978 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001039865905 1214450756 /nfs/dbraw/zinc/45/07/56/1214450756.db2.gz UVKUNOACDRKXET-FRQCXROJSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001040902351 1214618181 /nfs/dbraw/zinc/61/81/81/1214618181.db2.gz RJHMMLPEMWYUCR-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949591 1225548066 /nfs/dbraw/zinc/54/80/66/1225548066.db2.gz CNRAJRAOPJOWMB-FGTMMUONSA-N 2 0 363.502 0.811 20 0 FCADRP Cc1cnc2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3O)ccn12 ZINC000963806936 1214854360 /nfs/dbraw/zinc/85/43/60/1214854360.db2.gz OCGDPDWASQPLDA-PMPSAXMXSA-N 2 0 371.441 0.038 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)C[NH+]2CCCC2)CC3)CC[N@@H+]1C ZINC000963923425 1214875362 /nfs/dbraw/zinc/87/53/62/1214875362.db2.gz CVSJNMDDYKHXOA-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1)[NH+](C)C ZINC000965950399 1215149907 /nfs/dbraw/zinc/14/99/07/1215149907.db2.gz SCAMMXSBYRRCOC-KLHDSHLOSA-N 2 0 361.490 0.971 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000968009425 1215271830 /nfs/dbraw/zinc/27/18/30/1215271830.db2.gz KQVYGYZUCNSJRX-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP CCOC(=O)[C@H]1CC2(CN1Cc1cnc3n1CC[NH2+]CC3)CC[NH2+]CC2 ZINC001222221046 1225612136 /nfs/dbraw/zinc/61/21/36/1225612136.db2.gz IVFQOYQGUWNMMI-MRXNPFEDSA-N 2 0 361.490 0.536 20 0 FCADRP O=C1NCC[C@]12C[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520791 1225630738 /nfs/dbraw/zinc/63/07/38/1225630738.db2.gz JXCRYWBSOBKVNZ-FQEVSTJZSA-N 3 0 355.486 0.008 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055966869 1215929400 /nfs/dbraw/zinc/92/94/00/1215929400.db2.gz LBZJRFQKWTVMMC-MDZRGWNJSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001055968181 1215930255 /nfs/dbraw/zinc/93/02/55/1215930255.db2.gz VLFZMXLXKXOCLN-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCCC2)CC3)CC[N@@H+]1C ZINC001050523935 1216330558 /nfs/dbraw/zinc/33/05/58/1216330558.db2.gz MOJPBSHNTNSWTP-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050523842 1216330968 /nfs/dbraw/zinc/33/09/68/1216330968.db2.gz KDWAAFJFFPTGOL-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)NC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959328 1225669759 /nfs/dbraw/zinc/66/97/59/1225669759.db2.gz WVTCFIACTCMLSQ-WCXIOVBPSA-N 2 0 366.506 0.153 20 0 FCADRP CCn1nnc(C)c1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624672 1216469143 /nfs/dbraw/zinc/46/91/43/1216469143.db2.gz SKAPNDFNWRGVSK-OWCLPIDISA-N 2 0 364.494 0.264 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccn(CC)n3)C2)CC[N@@H+]1C ZINC001051624929 1216470375 /nfs/dbraw/zinc/47/03/75/1216470375.db2.gz VZBMVBIKGSBPKO-OKZBNKHCSA-N 2 0 363.506 0.950 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738876 1216529596 /nfs/dbraw/zinc/52/95/96/1216529596.db2.gz HIIFAZRXYGOLMK-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH+](C)C ZINC001057883852 1216599966 /nfs/dbraw/zinc/59/99/66/1216599966.db2.gz ZAKXBKFYQKMTHV-FMKPAKJESA-N 2 0 365.478 0.037 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115715 1225682641 /nfs/dbraw/zinc/68/26/41/1225682641.db2.gz JNTVYCHKHLVKIN-JLSDUUJJSA-N 2 0 358.442 0.878 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000682035318 1216655775 /nfs/dbraw/zinc/65/57/75/1216655775.db2.gz LNLCHFVOWHRQKE-GOSISDBHSA-N 2 0 362.518 0.794 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401477 1216730463 /nfs/dbraw/zinc/73/04/63/1216730463.db2.gz JEERPKGOVSLKNC-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068400000 1216730994 /nfs/dbraw/zinc/73/09/94/1216730994.db2.gz WIMXKJDMXRXEQO-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001069038577 1216773488 /nfs/dbraw/zinc/77/34/88/1216773488.db2.gz GFPDFCXLLUZKAN-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006061 1216893188 /nfs/dbraw/zinc/89/31/88/1216893188.db2.gz BCXYNZIBPUJWOU-BBWFWOEESA-N 2 0 364.494 0.124 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223846949 1225739844 /nfs/dbraw/zinc/73/98/44/1225739844.db2.gz VCLCRLYZLADMKM-MSOLQXFVSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223962008 1225749237 /nfs/dbraw/zinc/74/92/37/1225749237.db2.gz FUYHFCZZLYBTNB-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP C[C@H](CO)C[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276973621 1225780448 /nfs/dbraw/zinc/78/04/48/1225780448.db2.gz GMEDSNHIZLILNR-SFHVURJKSA-N 2 0 366.550 0.567 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276981865 1225784788 /nfs/dbraw/zinc/78/47/88/1225784788.db2.gz IKUZEJDUKABAAW-XLIONFOSSA-N 2 0 358.486 0.612 20 0 FCADRP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)n1NC(N)=O ZINC000900673859 1218022084 /nfs/dbraw/zinc/02/20/84/1218022084.db2.gz RKRVYHJXNYHGEU-CQSZACIVSA-N 2 0 362.478 0.625 20 0 FCADRP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900670747 1218022708 /nfs/dbraw/zinc/02/27/08/1218022708.db2.gz VWJINBDTSBBWFJ-KRWDZBQOSA-N 2 0 362.522 0.685 20 0 FCADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900808767 1218040548 /nfs/dbraw/zinc/04/05/48/1218040548.db2.gz WUZKFIJANJWLGX-QZTJIDSGSA-N 2 0 374.533 0.344 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000900843884 1218045486 /nfs/dbraw/zinc/04/54/86/1218045486.db2.gz MKYBIKNHGJIYOE-IBGZPJMESA-N 2 0 366.550 0.973 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001096356659 1218263233 /nfs/dbraw/zinc/26/32/33/1218263233.db2.gz WJEDEGJUPRRRIK-IKGGRYGDSA-N 2 0 360.502 0.816 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001277041071 1225810250 /nfs/dbraw/zinc/81/02/50/1225810250.db2.gz DGPCUWCEPJIFOQ-IBGZPJMESA-N 2 0 357.458 0.699 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cn(C)nn1 ZINC000902865351 1218319779 /nfs/dbraw/zinc/31/97/79/1218319779.db2.gz JYKKAJHNIZWYMK-LSDHHAIUSA-N 2 0 372.477 0.761 20 0 FCADRP CC(C)N1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827707 1218322543 /nfs/dbraw/zinc/32/25/43/1218322543.db2.gz CKAYTUNRMLFFRY-SFFUCWETSA-N 2 0 362.518 0.726 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048830728 1218325522 /nfs/dbraw/zinc/32/55/22/1218325522.db2.gz RMMHPVHTVOBRNG-XWTMOSNGSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541322 1218428822 /nfs/dbraw/zinc/42/88/22/1218428822.db2.gz NCJNIGWCZKTFCE-IKGGRYGDSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000903741743 1218512451 /nfs/dbraw/zinc/51/24/51/1218512451.db2.gz SIAIXYATZJTMGY-OKZBNKHCSA-N 3 0 364.534 0.725 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903770848 1218521192 /nfs/dbraw/zinc/52/11/92/1218521192.db2.gz ZKXZAFJLYYHKBH-CVYDXHPNSA-N 2 0 361.490 0.803 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001226295959 1225839521 /nfs/dbraw/zinc/83/95/21/1225839521.db2.gz CJTZIQONFGDTAP-RCCFBDPRSA-N 2 0 362.518 0.966 20 0 FCADRP O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001226348050 1225840940 /nfs/dbraw/zinc/84/09/40/1225840940.db2.gz IIZAGWJTZYQPNU-IAGOWNOFSA-N 2 0 364.490 0.788 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC001226767265 1225854142 /nfs/dbraw/zinc/85/41/42/1225854142.db2.gz UQARVDVBCRKQFT-HUUCEWRRSA-N 2 0 364.490 0.637 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001227056713 1225862383 /nfs/dbraw/zinc/86/23/83/1225862383.db2.gz JJIATGGJDKKZRE-RBSFLKMASA-N 2 0 367.494 0.332 20 0 FCADRP CO[C@H](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055540520 1219073053 /nfs/dbraw/zinc/07/30/53/1219073053.db2.gz PJEITVGLMRPLOB-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065795 1225862919 /nfs/dbraw/zinc/86/29/19/1225862919.db2.gz MNQXZBZDYULQRX-BRWVUGGUSA-N 2 0 371.522 0.369 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CC=CC3)CC2)CC[N@@H+]1C ZINC001055583503 1219087666 /nfs/dbraw/zinc/08/76/66/1219087666.db2.gz QLIAKTLMXXPWSI-CRAIPNDOSA-N 2 0 362.518 0.990 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)OC)CC2)CC[N@@H+]1C ZINC001055583283 1219088465 /nfs/dbraw/zinc/08/84/65/1219088465.db2.gz HKOPRYTXSHNYGU-HYVNUMGLSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)CC[N@@H+]1C ZINC001055583314 1219088700 /nfs/dbraw/zinc/08/87/00/1219088700.db2.gz INCIHBNJBWVPTB-GDBMZVCRSA-N 2 0 361.490 0.665 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057412 1219111680 /nfs/dbraw/zinc/11/16/80/1219111680.db2.gz PKMXNGKIKUSYCS-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059897 1219113556 /nfs/dbraw/zinc/11/35/56/1219113556.db2.gz ONKOTVHTCMTIMF-QBPKDAKJSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001227345904 1225871107 /nfs/dbraw/zinc/87/11/07/1225871107.db2.gz PGGGSVRSISVWAC-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097211 1219168651 /nfs/dbraw/zinc/16/86/51/1219168651.db2.gz HLGHYVQYPAAXHK-OTWHNJEPSA-N 2 0 368.485 0.814 20 0 FCADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209355 1219294924 /nfs/dbraw/zinc/29/49/24/1219294924.db2.gz ZZGXGOVNOCRKLE-ZACQAIPSSA-N 2 0 362.478 0.019 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277067 1219343858 /nfs/dbraw/zinc/34/38/58/1219343858.db2.gz FVEZDAPZKPLOES-SQNIBIBYSA-N 2 0 371.489 0.863 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327173 1219377470 /nfs/dbraw/zinc/37/74/70/1219377470.db2.gz VYLGDWOYTCONLM-KURKYZTESA-N 2 0 369.473 0.475 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070332833 1219382496 /nfs/dbraw/zinc/38/24/96/1219382496.db2.gz XVOSMIGUPNKZGN-SJORKVTESA-N 2 0 360.437 0.965 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)CC1 ZINC001070377093 1219404435 /nfs/dbraw/zinc/40/44/35/1219404435.db2.gz FCYQVBCNTRXAFG-AEFFLSMTSA-N 2 0 368.497 0.773 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070382723 1219407583 /nfs/dbraw/zinc/40/75/83/1219407583.db2.gz ODBVFKRCVZCARZ-APWZRJJASA-N 2 0 368.497 0.917 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccncc2O[C@H]2CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001070386313 1219408519 /nfs/dbraw/zinc/40/85/19/1219408519.db2.gz JSDWWWJEAJLFGI-HYVNUMGLSA-N 2 0 362.474 0.483 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070507692 1219444695 /nfs/dbraw/zinc/44/46/95/1219444695.db2.gz KEFOATUACQVLKT-JQHSSLGASA-N 2 0 363.506 0.417 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070507691 1219444820 /nfs/dbraw/zinc/44/48/20/1219444820.db2.gz KEFOATUACQVLKT-CGTJXYLNSA-N 2 0 363.506 0.417 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070520769 1219450745 /nfs/dbraw/zinc/45/07/45/1219450745.db2.gz HETFTOXGBGJLTD-HLLBOEOZSA-N 2 0 363.506 0.559 20 0 FCADRP COc1ccnc(CN2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277260946 1225893558 /nfs/dbraw/zinc/89/35/58/1225893558.db2.gz QMAHOBHFDBSKMI-LJQANCHMSA-N 2 0 362.474 0.703 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070563752 1219470894 /nfs/dbraw/zinc/47/08/94/1219470894.db2.gz KGPAWMHZWJAEHM-VDZJLULYSA-N 2 0 368.485 0.851 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001070629186 1219493842 /nfs/dbraw/zinc/49/38/42/1219493842.db2.gz CYZLYQOLDILQFS-BRWVUGGUSA-N 2 0 371.489 0.295 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001228207423 1225900056 /nfs/dbraw/zinc/90/00/56/1225900056.db2.gz SXMNQVDKYYBODG-BYNSBNAKSA-N 2 0 367.494 0.189 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228238963 1225903559 /nfs/dbraw/zinc/90/35/59/1225903559.db2.gz KWZNLWRZHRWOEQ-HZPDHXFCSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001228265821 1225905578 /nfs/dbraw/zinc/90/55/78/1225905578.db2.gz ZKEKCBODABZJMB-BRWVUGGUSA-N 2 0 368.522 0.584 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074603373 1219701540 /nfs/dbraw/zinc/70/15/40/1219701540.db2.gz HCAQYRJYZVFOMO-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001228355877 1225914098 /nfs/dbraw/zinc/91/40/98/1225914098.db2.gz VFTXOBOGVUUMEQ-KBAYOESNSA-N 2 0 371.522 0.512 20 0 FCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC([N@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098398318 1219773277 /nfs/dbraw/zinc/77/32/77/1219773277.db2.gz OLBGTZRNVRWPFL-DJIMGWMZSA-N 2 0 362.474 0.835 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030039 1219892569 /nfs/dbraw/zinc/89/25/69/1219892569.db2.gz UNVMAMPCPKOMKR-GUXCAODWSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099123199 1219921324 /nfs/dbraw/zinc/92/13/24/1219921324.db2.gz XOLIVHFQWHZXCT-JXFKEZNVSA-N 2 0 360.502 0.675 20 0 FCADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099279425 1219960767 /nfs/dbraw/zinc/96/07/67/1219960767.db2.gz XUXNDWUEBQUDMK-TZMCWYRMSA-N 2 0 369.347 0.852 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001099473429 1220007501 /nfs/dbraw/zinc/00/75/01/1220007501.db2.gz BLCZQAXSRMIQQT-YRNRMSPPSA-N 2 0 362.518 0.968 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001099488703 1220012486 /nfs/dbraw/zinc/01/24/86/1220012486.db2.gz PKGARMKGLUXETH-LPHOPBHVSA-N 2 0 360.506 0.875 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001099488137 1220012498 /nfs/dbraw/zinc/01/24/98/1220012498.db2.gz LSUSYVFTLUMXBN-ZWOKBUDYSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001099538177 1220027232 /nfs/dbraw/zinc/02/72/32/1220027232.db2.gz OZMMRJKBLYJIOW-DOXZYTNZSA-N 2 0 362.474 0.106 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241091 1220241602 /nfs/dbraw/zinc/24/16/02/1220241602.db2.gz QFZNSUXIAXNWTE-HLIPFELVSA-N 2 0 362.518 0.587 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267871 1220256473 /nfs/dbraw/zinc/25/64/73/1220256473.db2.gz WORYPJYGWGMQNJ-QKLQHJQFSA-N 2 0 364.534 0.881 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267591 1220256802 /nfs/dbraw/zinc/25/68/02/1220256802.db2.gz LOXCUSZWFVFNTN-UWVAXJGDSA-N 2 0 362.518 0.633 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279346 1220264143 /nfs/dbraw/zinc/26/41/43/1220264143.db2.gz LUPQCYZTCZYQNL-HLIPFELVSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101284823 1220266932 /nfs/dbraw/zinc/26/69/32/1220266932.db2.gz AWNOBBQCYARQOT-BEFAXECRSA-N 2 0 365.522 0.522 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101287519 1220268632 /nfs/dbraw/zinc/26/86/32/1220268632.db2.gz QDYUOGBQFOMINP-GGPKGHCWSA-N 2 0 367.534 0.896 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305762 1220278348 /nfs/dbraw/zinc/27/83/48/1220278348.db2.gz QUIPDXXLKXLDBL-RMQWMXHSSA-N 2 0 363.502 0.666 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341665 1220295127 /nfs/dbraw/zinc/29/51/27/1220295127.db2.gz OYVCYXQNERFMKX-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364323 1220302852 /nfs/dbraw/zinc/30/28/52/1220302852.db2.gz RHSJHGBQVAKWAG-VPWXQRGCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101363951 1220303327 /nfs/dbraw/zinc/30/33/27/1220303327.db2.gz HURWXLAHQDJHIK-VPWXQRGCSA-N 2 0 362.518 0.635 20 0 FCADRP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101432350 1220340839 /nfs/dbraw/zinc/34/08/39/1220340839.db2.gz NQSHNTGCEXGFAQ-MJGOQNOKSA-N 2 0 361.490 0.644 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441099 1220347017 /nfs/dbraw/zinc/34/70/17/1220347017.db2.gz MBMVEQOXIRSPNF-CLCXKQKWSA-N 2 0 364.490 0.304 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460379 1220358602 /nfs/dbraw/zinc/35/86/02/1220358602.db2.gz BRYOCYPVJCICSX-QINHECLXSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051953 1220479109 /nfs/dbraw/zinc/47/91/09/1220479109.db2.gz VJENKHRDLOEAKV-HZPDHXFCSA-N 2 0 367.538 0.862 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051639 1220479376 /nfs/dbraw/zinc/47/93/76/1220479376.db2.gz BUBCJNCQKOIEPK-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085782 1220490962 /nfs/dbraw/zinc/49/09/62/1220490962.db2.gz AUUCXHAKJVQRQT-BZUAXINKSA-N 2 0 368.522 0.293 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185674 1220541008 /nfs/dbraw/zinc/54/10/08/1220541008.db2.gz NXYNPTNYTBNMEV-KYJSFNMBSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189917 1220544226 /nfs/dbraw/zinc/54/42/26/1220544226.db2.gz IFDRGGBGTVKYAG-NXHRZFHOSA-N 2 0 360.506 0.837 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276252 1220568818 /nfs/dbraw/zinc/56/88/18/1220568818.db2.gz LEFPUEZSUMIROK-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319067 1220581919 /nfs/dbraw/zinc/58/19/19/1220581919.db2.gz XJRWMMABIKVMSA-RHSMWYFYSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320532 1220582892 /nfs/dbraw/zinc/58/28/92/1220582892.db2.gz HAMPTPXADMRYPT-HZPDHXFCSA-N 2 0 364.490 0.874 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102367003 1220597371 /nfs/dbraw/zinc/59/73/71/1220597371.db2.gz YAAAZYIJBYCMHE-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375310 1220599073 /nfs/dbraw/zinc/59/90/73/1220599073.db2.gz BURSWFITENUTDZ-KFWWJZLASA-N 2 0 366.506 0.454 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511086 1220669885 /nfs/dbraw/zinc/66/98/85/1220669885.db2.gz IODCVUISLMPEKC-IXDOHACOSA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513343 1220672648 /nfs/dbraw/zinc/67/26/48/1220672648.db2.gz GSSZPHHFUFZIFF-OAGGEKHMSA-N 2 0 364.494 0.028 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514089 1220673343 /nfs/dbraw/zinc/67/33/43/1220673343.db2.gz MGSOLHQBKLUQKK-BRWVUGGUSA-N 2 0 367.538 0.720 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514392 1220673684 /nfs/dbraw/zinc/67/36/84/1220673684.db2.gz WASFCVKADITCJG-FHLIZLRMSA-N 2 0 362.522 0.921 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515417 1220674780 /nfs/dbraw/zinc/67/47/80/1220674780.db2.gz RTCLJZITXLSHHK-HUUCEWRRSA-N 2 0 361.490 0.972 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580366 1220702688 /nfs/dbraw/zinc/70/26/88/1220702688.db2.gz SPWLOZFTDAEJKG-JFIYKMOQSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993891 1220817460 /nfs/dbraw/zinc/81/74/60/1220817460.db2.gz HZPXTNGAEPNSGV-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993889 1220817791 /nfs/dbraw/zinc/81/77/91/1220817791.db2.gz HZPXTNGAEPNSGV-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103084005 1220830999 /nfs/dbraw/zinc/83/09/99/1220830999.db2.gz TURHTNCKIUTBDI-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103157879 1220841975 /nfs/dbraw/zinc/84/19/75/1220841975.db2.gz HDOPJGQOKAUXTM-HZPDHXFCSA-N 2 0 367.538 0.816 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162757 1220842133 /nfs/dbraw/zinc/84/21/33/1220842133.db2.gz JAJYLPRYJPHMAH-HZPDHXFCSA-N 2 0 361.490 0.728 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229288252 1225997110 /nfs/dbraw/zinc/99/71/10/1225997110.db2.gz YYDPFNHXCAYDFN-HUUCEWRRSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397022 1220876896 /nfs/dbraw/zinc/87/68/96/1220876896.db2.gz VEAUUUKVJXAUKK-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397000 1220877017 /nfs/dbraw/zinc/87/70/17/1220877017.db2.gz TXDYAMHQODSQKF-BMFZPTHFSA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436127 1220882852 /nfs/dbraw/zinc/88/28/52/1220882852.db2.gz LLHBAGCNDWVTGZ-BRWVUGGUSA-N 2 0 365.522 0.428 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444833 1220884725 /nfs/dbraw/zinc/88/47/25/1220884725.db2.gz LGAZUYICFOVOBY-ZACQAIPSSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103641802 1220925174 /nfs/dbraw/zinc/92/51/74/1220925174.db2.gz DYVAUFFFTVMISQ-SOLBZPMBSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642997 1220925429 /nfs/dbraw/zinc/92/54/29/1220925429.db2.gz CWGGAWKLHHWAGS-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001103647097 1220927490 /nfs/dbraw/zinc/92/74/90/1220927490.db2.gz UNKDYHNMDFVAFX-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654836 1220931204 /nfs/dbraw/zinc/93/12/04/1220931204.db2.gz DVSKLHIEBIBLOQ-IAGOWNOFSA-N 2 0 367.538 0.818 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103663599 1220933662 /nfs/dbraw/zinc/93/36/62/1220933662.db2.gz JJJKIPUDJOLAOA-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001103999971 1220997016 /nfs/dbraw/zinc/99/70/16/1220997016.db2.gz QGMRSNRHWKDLFU-OAGGEKHMSA-N 2 0 364.490 0.304 20 0 FCADRP CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)Cc1ccccc1 ZINC001111499381 1221024119 /nfs/dbraw/zinc/02/41/19/1221024119.db2.gz DCDTWOFQSADJBZ-QRVBRYPASA-N 2 0 361.486 0.849 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1 ZINC001229452487 1226013058 /nfs/dbraw/zinc/01/30/58/1226013058.db2.gz YWPHKHDRRGLIJZ-HUUCEWRRSA-N 2 0 367.494 0.319 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001229523106 1226015981 /nfs/dbraw/zinc/01/59/81/1226015981.db2.gz BALQEBCCGOMCSX-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229496965 1226015289 /nfs/dbraw/zinc/01/52/89/1226015289.db2.gz ZOHFHFCNUTWNDG-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001229504224 1226015303 /nfs/dbraw/zinc/01/53/03/1226015303.db2.gz RGGWHNHAYJMZII-HUUCEWRRSA-N 2 0 367.494 0.333 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779138 1221105210 /nfs/dbraw/zinc/10/52/10/1221105210.db2.gz WLULCUCJXDNPLP-OHNRDTAOSA-N 2 0 362.474 0.247 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001229523295 1226016119 /nfs/dbraw/zinc/01/61/19/1226016119.db2.gz FOUXUHLDZIVNSF-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861201 1221140372 /nfs/dbraw/zinc/14/03/72/1221140372.db2.gz BBPUEMGUBKYYSU-GLJUWKHASA-N 2 0 367.494 0.143 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001111938170 1221178870 /nfs/dbraw/zinc/17/88/70/1221178870.db2.gz OJXADDRVTIEXME-KXBFYZLASA-N 2 0 366.506 0.156 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111951144 1221182098 /nfs/dbraw/zinc/18/20/98/1221182098.db2.gz VDQQITNZHCKIDN-GLJUWKHASA-N 2 0 367.494 0.272 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1 ZINC001112285335 1221230380 /nfs/dbraw/zinc/23/03/80/1221230380.db2.gz TWTXSEAWUNHGSI-ZWOKBUDYSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001112399234 1221252757 /nfs/dbraw/zinc/25/27/57/1221252757.db2.gz IWBUKIKXSJHYMN-CVAIRZPRSA-N 2 0 362.518 0.824 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447156 1221261212 /nfs/dbraw/zinc/26/12/12/1221261212.db2.gz HAZYDOGQFOMBSD-BXWFABGCSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229716337 1226030720 /nfs/dbraw/zinc/03/07/20/1226030720.db2.gz HGJVWGPUZIQBLO-GVDBMIGSSA-N 2 0 370.538 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001229877388 1226037671 /nfs/dbraw/zinc/03/76/71/1226037671.db2.gz RVTDIGAHHBWTNZ-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC001117481937 1221555169 /nfs/dbraw/zinc/55/51/69/1221555169.db2.gz LGZQFVOVMHNLLP-IAGOWNOFSA-N 2 0 366.506 0.300 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149530 1226059378 /nfs/dbraw/zinc/05/93/78/1226059378.db2.gz MYRBOYYNHIVFLO-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC001230149639 1226059391 /nfs/dbraw/zinc/05/93/91/1226059391.db2.gz OVBVFNINAKXKMT-KZNAEPCWSA-N 2 0 363.506 0.868 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001117971507 1221670083 /nfs/dbraw/zinc/67/00/83/1221670083.db2.gz WHIVEMCORILYFB-MRXNPFEDSA-N 2 0 361.490 0.168 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC001117981473 1221676330 /nfs/dbraw/zinc/67/63/30/1221676330.db2.gz WKERDAWIMHEUDR-UHFFFAOYSA-N 2 0 358.486 0.898 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118678522 1221818352 /nfs/dbraw/zinc/81/83/52/1221818352.db2.gz JLAGZENTELILEQ-QGZVFWFLSA-N 2 0 366.506 0.156 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119002927 1221854044 /nfs/dbraw/zinc/85/40/44/1221854044.db2.gz DMGZRFBEZUWVPO-UHFFFAOYSA-N 2 0 358.442 0.422 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001119358532 1221906306 /nfs/dbraw/zinc/90/63/06/1221906306.db2.gz ZOMSILXOEOKZBS-IBGZPJMESA-N 2 0 352.442 0.756 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001119418578 1221915217 /nfs/dbraw/zinc/91/52/17/1221915217.db2.gz QVVVFFVGKIHSDY-KBAYOESNSA-N 2 0 358.486 0.867 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119423646 1221916098 /nfs/dbraw/zinc/91/60/98/1221916098.db2.gz BBTOILXRIYWXLV-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001119610935 1221940569 /nfs/dbraw/zinc/94/05/69/1221940569.db2.gz KKUKIBDPRJBABX-LSDHHAIUSA-N 2 0 359.474 0.752 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC001119724958 1221957611 /nfs/dbraw/zinc/95/76/11/1221957611.db2.gz DNEHFADIPMFBEZ-RDJZCZTQSA-N 2 0 363.510 0.847 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CCN1C ZINC001119809967 1221976619 /nfs/dbraw/zinc/97/66/19/1221976619.db2.gz IDRBLYMGTURSIX-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC001120515502 1222099221 /nfs/dbraw/zinc/09/92/21/1222099221.db2.gz XJBGRCZRZVNVCO-JKSUJKDBSA-N 2 0 363.506 0.630 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC001120574892 1222105438 /nfs/dbraw/zinc/10/54/38/1222105438.db2.gz RXQCZJOGZSVSLE-WBVHZDCISA-N 2 0 365.474 0.438 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069785 1222238282 /nfs/dbraw/zinc/23/82/82/1222238282.db2.gz GALDXTLWWGNOPR-BRWVUGGUSA-N 2 0 363.506 0.606 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N3CCC(OC4C[NH2+]C4)CC3)ccn2)CC1 ZINC001122476224 1222277583 /nfs/dbraw/zinc/27/75/83/1222277583.db2.gz WHDIZLHWLLSINY-UHFFFAOYSA-N 2 0 359.474 0.426 20 0 FCADRP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122521719 1222280188 /nfs/dbraw/zinc/28/01/88/1222280188.db2.gz QLCRYRDLGRRASR-ZWKOTPCHSA-N 2 0 369.554 0.813 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]21 ZINC001231700793 1226117532 /nfs/dbraw/zinc/11/75/32/1226117532.db2.gz MFRMBIYBCLQRHB-KBMXLJTQSA-N 2 0 373.461 0.853 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769895 1222355597 /nfs/dbraw/zinc/35/55/97/1222355597.db2.gz PJXLGUBWDFSCMR-RSPOEFSDSA-N 2 0 372.513 0.374 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001123886520 1222362592 /nfs/dbraw/zinc/36/25/92/1222362592.db2.gz QPPGUNKYXKSEQI-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP Cc1nc(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)c[nH]1 ZINC001232461573 1226153200 /nfs/dbraw/zinc/15/32/00/1226153200.db2.gz MLZUCYBREFVXJS-JLJPHGGASA-N 2 0 356.430 0.775 20 0 FCADRP CCOC(=O)N1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000840832630 1222803094 /nfs/dbraw/zinc/80/30/94/1222803094.db2.gz YLEZBDROLRJABM-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000841164785 1222811466 /nfs/dbraw/zinc/81/14/66/1222811466.db2.gz MSWUKJYKTRWCAM-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000841170285 1222812021 /nfs/dbraw/zinc/81/20/21/1222812021.db2.gz ZGJDGBWLENOWTP-OAHLLOKOSA-N 2 0 373.501 0.963 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841187464 1222812708 /nfs/dbraw/zinc/81/27/08/1222812708.db2.gz WKFCEMBMWHFFOO-QGZVFWFLSA-N 2 0 359.474 0.717 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000841208046 1222813916 /nfs/dbraw/zinc/81/39/16/1222813916.db2.gz KDDRLSBJNJVLIO-GJZGRUSLSA-N 2 0 359.474 0.586 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000841226030 1222814579 /nfs/dbraw/zinc/81/45/79/1222814579.db2.gz OHJBDMROOZXOCP-GJZGRUSLSA-N 2 0 359.474 0.763 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000841230310 1222815187 /nfs/dbraw/zinc/81/51/87/1222815187.db2.gz TXGMQLHVOUOPKT-OAHLLOKOSA-N 2 0 361.490 0.881 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000841234314 1222815430 /nfs/dbraw/zinc/81/54/30/1222815430.db2.gz HRMDFCKDBQHWNK-FQEVSTJZSA-N 2 0 373.501 0.964 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846340 1222830031 /nfs/dbraw/zinc/83/00/31/1222830031.db2.gz HWCDJQHWGFGKOK-JKSUJKDBSA-N 2 0 374.441 0.402 20 0 FCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164386 1222838700 /nfs/dbraw/zinc/83/87/00/1222838700.db2.gz JMFSSCCKOVRZPX-IRXDYDNUSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000842190924 1222839642 /nfs/dbraw/zinc/83/96/42/1222839642.db2.gz VAQJEUXWPINWKV-XLIONFOSSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCCCCC[NH3+])Cc2ccccc2C1 ZINC000843259596 1222867381 /nfs/dbraw/zinc/86/73/81/1222867381.db2.gz OWVYLXMUZNWGKT-UHFFFAOYSA-N 2 0 360.502 0.837 20 0 FCADRP O=C(CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843359228 1222872800 /nfs/dbraw/zinc/87/28/00/1222872800.db2.gz NTIZZXHGYTVSOQ-UHFFFAOYSA-N 2 0 358.442 0.823 20 0 FCADRP CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000843356134 1222872885 /nfs/dbraw/zinc/87/28/85/1222872885.db2.gz RHPMTGOMQQJBCO-UHFFFAOYSA-N 2 0 370.494 0.553 20 0 FCADRP c1cc(OCC2CC[NH2+]CC2)nnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155400195 1223034867 /nfs/dbraw/zinc/03/48/67/1223034867.db2.gz MOSGRBBKTIHFRO-UHFFFAOYSA-N 2 0 358.450 0.552 20 0 FCADRP O=C(c1cccnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001155597304 1223039407 /nfs/dbraw/zinc/03/94/07/1223039407.db2.gz LNPOJOGPCXDEIF-DNVCBOLYSA-N 2 0 359.474 0.698 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001157336358 1223074567 /nfs/dbraw/zinc/07/45/67/1223074567.db2.gz NVLJVRQZEITWSX-KNBMTAEXSA-N 2 0 373.501 0.072 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157380085 1223075519 /nfs/dbraw/zinc/07/55/19/1223075519.db2.gz UUEWUJMAPSRCGI-HOTGVXAUSA-N 2 0 367.538 0.295 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC1 ZINC001157449089 1223076956 /nfs/dbraw/zinc/07/69/56/1223076956.db2.gz RDMOCQBVYJUVSP-HNAYVOBHSA-N 2 0 367.490 0.808 20 0 FCADRP CN1CCN(C(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CC1=O ZINC001157486164 1223077301 /nfs/dbraw/zinc/07/73/01/1223077301.db2.gz RZCBQEMVCXQPMX-WIYYLYMNSA-N 2 0 370.497 0.789 20 0 FCADRP Cc1ccc([C@@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720602 1223080834 /nfs/dbraw/zinc/08/08/34/1223080834.db2.gz MKGNONXEBJUMMV-MOPGFXCFSA-N 2 0 360.502 0.906 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)CC1 ZINC001157773096 1223082016 /nfs/dbraw/zinc/08/20/16/1223082016.db2.gz HWSRXSDBBYSMIH-BXWFABGCSA-N 2 0 360.433 0.779 20 0 FCADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001157842089 1223082691 /nfs/dbraw/zinc/08/26/91/1223082691.db2.gz IYWNJXPJAXEWCS-XHSDSOJGSA-N 2 0 361.490 0.895 20 0 FCADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960413 1223085342 /nfs/dbraw/zinc/08/53/42/1223085342.db2.gz KJBOWFWICVUAAM-IAGOWNOFSA-N 2 0 366.469 0.702 20 0 FCADRP O=C(CC1(c2ccccc2F)CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102384 1223089007 /nfs/dbraw/zinc/08/90/07/1223089007.db2.gz QQQKTUOLPHMBMO-HXUWFJFHSA-N 2 0 374.460 0.528 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167027 1223090098 /nfs/dbraw/zinc/09/00/98/1223090098.db2.gz HCXKHIYBNDFEME-LTIDMASMSA-N 2 0 368.522 0.338 20 0 FCADRP COc1ccc(C2(C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]4C3)CC[NH2+]CC2)cc1 ZINC001158179771 1223090138 /nfs/dbraw/zinc/09/01/38/1223090138.db2.gz OBWQVVSDTVWRRB-CRAIPNDOSA-N 2 0 359.470 0.763 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC001158180076 1223090710 /nfs/dbraw/zinc/09/07/10/1223090710.db2.gz SNUDZGJSITXZQW-SJLPKXTDSA-N 2 0 372.469 0.310 20 0 FCADRP O=C([C@H]1CC[C@H](C(F)(F)F)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260832 1223092132 /nfs/dbraw/zinc/09/21/32/1223092132.db2.gz IEGNLVYBFJALCQ-NWDGAFQWSA-N 2 0 372.395 0.630 20 0 FCADRP O=C([C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260831 1223092292 /nfs/dbraw/zinc/09/22/92/1223092292.db2.gz IEGNLVYBFJALCQ-NEPJUHHUSA-N 2 0 372.395 0.630 20 0 FCADRP O=C([C@H]1[NH2+]CCc2cc(F)ccc21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276595 1223093307 /nfs/dbraw/zinc/09/33/07/1223093307.db2.gz AGUZTWWVKNSUEM-KRWDZBQOSA-N 2 0 370.432 0.725 20 0 FCADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)nn1 ZINC001158282083 1223093986 /nfs/dbraw/zinc/09/39/86/1223093986.db2.gz KEKFFHKIHHDKCD-SJORKVTESA-N 2 0 364.494 0.158 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380347 1223096248 /nfs/dbraw/zinc/09/62/48/1223096248.db2.gz QMVXRRJLGQCITA-RBSFLKMASA-N 2 0 369.510 0.293 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001158428532 1223097382 /nfs/dbraw/zinc/09/73/82/1223097382.db2.gz IBBHQSONQAWFIV-RHSMWYFYSA-N 2 0 364.465 0.878 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001158495631 1223100083 /nfs/dbraw/zinc/10/00/83/1223100083.db2.gz AHSLUKRWXICTHM-ZAHIEGGZSA-N 2 0 365.474 0.287 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001158496535 1223100118 /nfs/dbraw/zinc/10/01/18/1223100118.db2.gz RFEQAVSEZJXBSD-ZAHIEGGZSA-N 2 0 365.474 0.287 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533039 1223101861 /nfs/dbraw/zinc/10/18/61/1223101861.db2.gz HJFGKZSIHNLEII-NXEZDXNNSA-N 2 0 367.490 0.805 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001158568406 1223102132 /nfs/dbraw/zinc/10/21/32/1223102132.db2.gz OZZNCSJMHJVRNL-ZNMIVQPWSA-N 2 0 361.465 0.670 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759542 1223107217 /nfs/dbraw/zinc/10/72/17/1223107217.db2.gz QBZDMNGIRDURQN-HNNXBMFYSA-N 2 0 356.474 0.247 20 0 FCADRP CN(C[C@@H](O)CO)C(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001158800639 1223110049 /nfs/dbraw/zinc/11/00/49/1223110049.db2.gz XIDLZYHEQQVTRV-QWFCFKBJSA-N 2 0 361.486 0.300 20 0 FCADRP Cn1ncc2c1CN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158855079 1223111380 /nfs/dbraw/zinc/11/13/80/1223111380.db2.gz BTAIKGGUYHACLZ-CQSZACIVSA-N 2 0 358.446 0.258 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001159134446 1223118379 /nfs/dbraw/zinc/11/83/79/1223118379.db2.gz NXVHYMMIYBJBNA-HZPDHXFCSA-N 3 0 360.506 0.277 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159133960 1223118594 /nfs/dbraw/zinc/11/85/94/1223118594.db2.gz LEZPJXFAOJHZRH-GBESFXJTSA-N 2 0 373.501 0.891 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159191377 1223119989 /nfs/dbraw/zinc/11/99/89/1223119989.db2.gz ULDYCNOGMGSKBW-CHWSQXEVSA-N 2 0 363.462 0.239 20 0 FCADRP [NH3+][C@@H](C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192895 1223120252 /nfs/dbraw/zinc/12/02/52/1223120252.db2.gz YTVPLRDKUYGIKB-MAUKXSAKSA-N 2 0 361.490 0.595 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)COC1(C)C ZINC001159291630 1223123767 /nfs/dbraw/zinc/12/37/67/1223123767.db2.gz ROOBXAGKLHFINT-ZFWWWQNUSA-N 2 0 364.490 0.241 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccncn2)[C@H](O)OC(C)(C)C)C1 ZINC001159344049 1223124890 /nfs/dbraw/zinc/12/48/90/1223124890.db2.gz SQRKCXDMQVPHCO-WLRQEKSISA-N 2 0 367.494 0.750 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159343147 1223124921 /nfs/dbraw/zinc/12/49/21/1223124921.db2.gz OCGRLVODURHONR-BWJWTDLKSA-N 2 0 367.494 0.750 20 0 FCADRP Nc1ncn(-c2ccc3c(c2)C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159407397 1223125801 /nfs/dbraw/zinc/12/58/01/1223125801.db2.gz WNAYGSVLGCWQQU-SWLSCSKDSA-N 2 0 374.876 0.582 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001159411410 1223126277 /nfs/dbraw/zinc/12/62/77/1223126277.db2.gz BKAWVWGAFYFRFD-MSOLQXFVSA-N 2 0 358.486 0.865 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159624907 1223131388 /nfs/dbraw/zinc/13/13/88/1223131388.db2.gz PNPJOEKSNPFCST-ZJIFWQFVSA-N 2 0 368.478 0.145 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]2C1 ZINC001159636473 1223131769 /nfs/dbraw/zinc/13/17/69/1223131769.db2.gz TULFBMXZEMUZJM-VAMGGRTRSA-N 2 0 373.497 0.897 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666210 1223133183 /nfs/dbraw/zinc/13/31/83/1223133183.db2.gz OYUNYUHLQVYGHQ-SQNIBIBYSA-N 2 0 370.457 0.176 20 0 FCADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC[C@H]21 ZINC001159781000 1223136627 /nfs/dbraw/zinc/13/66/27/1223136627.db2.gz FRDZPBHOHJFJTK-BRWVUGGUSA-N 2 0 362.518 0.966 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853193 1223138090 /nfs/dbraw/zinc/13/80/90/1223138090.db2.gz ALFBTYUELNABKH-SZMVWBNQSA-N 3 0 374.460 0.299 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856316 1223138345 /nfs/dbraw/zinc/13/83/45/1223138345.db2.gz SWJRGHKOAJHQEU-NJAFHUGGSA-N 2 0 373.432 0.783 20 0 FCADRP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]12 ZINC001159993750 1223142521 /nfs/dbraw/zinc/14/25/21/1223142521.db2.gz QNINRAXRHOKILK-HBFSDRIKSA-N 2 0 358.486 0.844 20 0 FCADRP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160053877 1223143588 /nfs/dbraw/zinc/14/35/88/1223143588.db2.gz WNFWVCLKQLWBPF-GHTZIAJQSA-N 3 0 369.513 0.848 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139298 1223146686 /nfs/dbraw/zinc/14/66/86/1223146686.db2.gz XXUBMFBMSSFIFA-HMYPWROXSA-N 2 0 371.485 0.132 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160415358 1223158332 /nfs/dbraw/zinc/15/83/32/1223158332.db2.gz RXUAWILJMQFYRB-LPHOPBHVSA-N 2 0 374.489 0.539 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415366 1223158581 /nfs/dbraw/zinc/15/85/81/1223158581.db2.gz SGQRAVBHLMPBQB-QFBILLFUSA-N 2 0 372.473 0.149 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001160443453 1223159698 /nfs/dbraw/zinc/15/96/98/1223159698.db2.gz JZGANLJFUUNCDI-IRXDYDNUSA-N 2 0 361.490 0.792 20 0 FCADRP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160434824 1223160248 /nfs/dbraw/zinc/16/02/48/1223160248.db2.gz HOFBYRSJFGDLML-HNAYVOBHSA-N 2 0 368.441 0.789 20 0 FCADRP C[NH2+]CC1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])CC1 ZINC001160459102 1223160380 /nfs/dbraw/zinc/16/03/80/1223160380.db2.gz GWGBNODXEUHEBW-SFHVURJKSA-N 2 0 371.485 0.612 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(CCc2ccncc2)CC1 ZINC001160490633 1223162689 /nfs/dbraw/zinc/16/26/89/1223162689.db2.gz VLSIRVSRNJSHRY-GOSISDBHSA-N 2 0 357.502 0.643 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CCC[C@@H]([NH3+])C2)CCO1 ZINC001160643230 1223167113 /nfs/dbraw/zinc/16/71/13/1223167113.db2.gz DLYUBVQZIZWLAK-GJYPPUQNSA-N 2 0 371.485 0.818 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(COCc3ccccc3)cn2)CCO1 ZINC001160644091 1223167543 /nfs/dbraw/zinc/16/75/43/1223167543.db2.gz RYQDJPMXHCYCRP-ROUUACIJSA-N 2 0 373.457 0.113 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H](c2cc3ccccc3o2)N2CC[C@H]([NH3+])C2)CCO1 ZINC001160643720 1223167559 /nfs/dbraw/zinc/16/75/59/1223167559.db2.gz MZJDZIULRXYFOO-MPGHIAIKSA-N 2 0 358.442 0.693 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001160669970 1223167821 /nfs/dbraw/zinc/16/78/21/1223167821.db2.gz OWZXFJCDQRAQCI-ROUUACIJSA-N 2 0 364.534 0.774 20 0 FCADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001160694390 1223168616 /nfs/dbraw/zinc/16/86/16/1223168616.db2.gz AVKMHSWDPXYGOH-HOTGVXAUSA-N 2 0 361.490 0.767 20 0 FCADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787568 1223172761 /nfs/dbraw/zinc/17/27/61/1223172761.db2.gz LHDRYBZQSSQOFP-UKRRQHHQSA-N 2 0 361.446 0.273 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3[NH2+]Cc4ccccc43)C[C@H]1C2 ZINC001160793567 1223173092 /nfs/dbraw/zinc/17/30/92/1223173092.db2.gz BJDFOIIHBGNYAA-MMIUEUIISA-N 2 0 355.438 0.688 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]3(C(C)C)CCC[NH2+]C3)C[C@H]1C2 ZINC001160794119 1223173225 /nfs/dbraw/zinc/17/32/25/1223173225.db2.gz LIEOYWUVVGHOTK-YMBUTIGBSA-N 2 0 363.502 0.869 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C34CCC([NH3+])(CC3)CC4)C[C@H]1C2 ZINC001160797747 1223173467 /nfs/dbraw/zinc/17/34/67/1223173467.db2.gz UMGJETYTUJOLMF-XQZNJSSTSA-N 2 0 361.486 0.895 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@@H](OC(C)(C)C)C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160810820 1223174877 /nfs/dbraw/zinc/17/48/77/1223174877.db2.gz HAGMMKLKOFNXFX-BKEDOTJMSA-N 2 0 367.490 0.533 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1)C1CC[NH2+]CC1 ZINC001160839023 1223176768 /nfs/dbraw/zinc/17/67/68/1223176768.db2.gz MQIVGWMGHPFQRC-QGZVFWFLSA-N 2 0 373.505 0.052 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C1CC[NH2+]CC1 ZINC001160842352 1223176771 /nfs/dbraw/zinc/17/67/71/1223176771.db2.gz DQQKNXXBTUSFPB-ZDUSSCGKSA-N 2 0 372.395 0.471 20 0 FCADRP CC(C)(C)OC(=O)CC1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160886338 1223179259 /nfs/dbraw/zinc/17/92/59/1223179259.db2.gz JHWZVCKFLJKGHQ-INIZCTEOSA-N 2 0 368.522 0.707 20 0 FCADRP CO[C@H](CN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906086 1223180518 /nfs/dbraw/zinc/18/05/18/1223180518.db2.gz BLXPRDCFROVOBN-MOPGFXCFSA-N 2 0 360.502 0.845 20 0 FCADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160955991 1223181747 /nfs/dbraw/zinc/18/17/47/1223181747.db2.gz FJRVVFOTOGBYRS-WDSOQIARSA-N 2 0 372.513 0.686 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160969233 1223182285 /nfs/dbraw/zinc/18/22/85/1223182285.db2.gz XXASYODUVPZHKV-ZBFHGGJFSA-N 2 0 363.412 0.996 20 0 FCADRP O=C(N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161000956 1223183230 /nfs/dbraw/zinc/18/32/30/1223183230.db2.gz WSYRIACVIFJVIP-QGZVFWFLSA-N 2 0 358.486 0.709 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007506 1223183336 /nfs/dbraw/zinc/18/33/36/1223183336.db2.gz KJFHJZBZTXGIAS-FUHWJXTLSA-N 2 0 354.454 0.820 20 0 FCADRP CN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)C1(C)CC[NH2+]CC1 ZINC001161073190 1223184428 /nfs/dbraw/zinc/18/44/28/1223184428.db2.gz KKZLVIZMCIXRPD-HNNXBMFYSA-N 2 0 358.446 0.604 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1c1ccc(F)cc1 ZINC001161085489 1223184781 /nfs/dbraw/zinc/18/47/81/1223184781.db2.gz ZFTZGNRUTTYYIA-IKGGRYGDSA-N 2 0 363.433 0.868 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161091991 1223185538 /nfs/dbraw/zinc/18/55/38/1223185538.db2.gz VYQFRMDAQTUDIF-HNNXBMFYSA-N 3 0 374.514 0.734 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001161154069 1223187561 /nfs/dbraw/zinc/18/75/61/1223187561.db2.gz UHOHVYURTINCJX-MRXNPFEDSA-N 2 0 374.441 0.290 20 0 FCADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C1 ZINC001161173412 1223188391 /nfs/dbraw/zinc/18/83/91/1223188391.db2.gz ZDPFAENWNXBPBF-ZNMIVQPWSA-N 2 0 365.478 0.683 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H](Oc4ccccc4)C[NH2+]3)C2)CC1 ZINC001161377509 1223197178 /nfs/dbraw/zinc/19/71/78/1223197178.db2.gz GNPDFHJGOYXVCZ-NEWSRXKRSA-N 2 0 358.486 0.820 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412200 1223198315 /nfs/dbraw/zinc/19/83/15/1223198315.db2.gz HIPAAXSQRSSQGR-JONQDZQNSA-N 2 0 359.474 0.505 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412201 1223198526 /nfs/dbraw/zinc/19/85/26/1223198526.db2.gz HIPAAXSQRSSQGR-QXSJWSMHSA-N 2 0 359.474 0.505 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C[C@@H]12 ZINC001161412625 1223198595 /nfs/dbraw/zinc/19/85/95/1223198595.db2.gz LKOIUFJCUHDUIK-QQXKLLMISA-N 2 0 370.497 0.662 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC2 ZINC001161480608 1223200642 /nfs/dbraw/zinc/20/06/42/1223200642.db2.gz PMBKVPWDXJFPFH-VBHSOAQHSA-N 2 0 369.462 0.189 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001161480931 1223200780 /nfs/dbraw/zinc/20/07/80/1223200780.db2.gz VVBLPKKVXAERGZ-YLJYHZDGSA-N 2 0 357.454 0.628 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1)CC2 ZINC001161477683 1223200939 /nfs/dbraw/zinc/20/09/39/1223200939.db2.gz FYBLXYLOHHWTOD-WTANOLMUSA-N 2 0 374.441 0.190 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001161489244 1223201973 /nfs/dbraw/zinc/20/19/73/1223201973.db2.gz SAKZENBDDBKOSG-PXNSSMCTSA-N 2 0 371.485 0.741 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(COCc3ccccc3)cn2)C[C@@H]1[NH3+] ZINC001161492377 1223202001 /nfs/dbraw/zinc/20/20/01/1223202001.db2.gz PFDUYKOIXJXLGW-OKZBNKHCSA-N 2 0 373.457 0.112 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2ccc(C(=O)N3CCC([NH3+])CC3)cc2)CC12COC2 ZINC001161506639 1223202823 /nfs/dbraw/zinc/20/28/23/1223202823.db2.gz MUCJBMWWURLFNL-INIZCTEOSA-N 2 0 358.442 0.050 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[NH2+]C4(CC4)C3)cc(=O)oc2c1 ZINC001161550417 1223204179 /nfs/dbraw/zinc/20/41/79/1223204179.db2.gz IIANOLKOUIGWPR-HNNXBMFYSA-N 2 0 357.410 0.636 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161586009 1223204899 /nfs/dbraw/zinc/20/48/99/1223204899.db2.gz APGPXFZGRZWFSH-LJQANCHMSA-N 3 0 371.529 0.400 20 0 FCADRP [NH3+]CCN(CCO)c1cc(N2CCC[C@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001163832359 1223234567 /nfs/dbraw/zinc/23/45/67/1223234567.db2.gz OTJZCDJRBJYQHS-HNNXBMFYSA-N 2 0 372.473 0.954 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001164583394 1223240208 /nfs/dbraw/zinc/24/02/08/1223240208.db2.gz YIZYVOXTIYNDJB-RRFJBIMHSA-N 2 0 364.490 0.398 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164578591 1223240303 /nfs/dbraw/zinc/24/03/03/1223240303.db2.gz IRCWIGBOTBLJBN-HZPDHXFCSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001165728838 1223255745 /nfs/dbraw/zinc/25/57/45/1223255745.db2.gz VPKFKXSQFDLCLR-GDBMZVCRSA-N 2 0 366.506 0.108 20 0 FCADRP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncc3c(n2)C[NH2+]C3)nc1 ZINC001165802114 1223257037 /nfs/dbraw/zinc/25/70/37/1223257037.db2.gz RTCABXBMMOPLRL-DUVNUKRYSA-N 2 0 353.430 0.632 20 0 FCADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001166702309 1223284861 /nfs/dbraw/zinc/28/48/61/1223284861.db2.gz LXCRJIXOMDDVBP-CQSZACIVSA-N 2 0 355.446 0.945 20 0 FCADRP C[NH+](C)CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205167361 1223314121 /nfs/dbraw/zinc/31/41/21/1223314121.db2.gz MNRGVZRMBGZRDZ-RTBURBONSA-N 2 0 363.502 0.785 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001205339418 1223320612 /nfs/dbraw/zinc/32/06/12/1223320612.db2.gz FWODRKXXLWFWOX-VHDGCEQUSA-N 2 0 367.494 0.128 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432091 1223323250 /nfs/dbraw/zinc/32/32/50/1223323250.db2.gz CCZQAZCZKSRWPG-OKZBNKHCSA-N 2 0 367.465 0.669 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001205436934 1223323331 /nfs/dbraw/zinc/32/33/31/1223323331.db2.gz RPRCPJBTEGARDQ-BBWFWOEESA-N 2 0 364.465 0.796 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432090 1223323432 /nfs/dbraw/zinc/32/34/32/1223323432.db2.gz CCZQAZCZKSRWPG-FGTMMUONSA-N 2 0 367.465 0.669 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205458811 1223324551 /nfs/dbraw/zinc/32/45/51/1223324551.db2.gz VLDPMERYFXYTAA-XOKHGSTOSA-N 2 0 364.465 0.924 20 0 FCADRP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205511159 1223329156 /nfs/dbraw/zinc/32/91/56/1223329156.db2.gz ZRTSNOABZGNUTM-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC2(CC[NH+](CCCF)CC2)[C@H]2COC[C@H]21 ZINC001205516773 1223330168 /nfs/dbraw/zinc/33/01/68/1223330168.db2.gz UWWLUOOWJSONQT-DLBZAZTESA-N 2 0 371.497 0.864 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001205624916 1223333042 /nfs/dbraw/zinc/33/30/42/1223333042.db2.gz CYYFLDORRLPLGI-USXIJHARSA-N 2 0 364.465 0.796 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001205648764 1223333994 /nfs/dbraw/zinc/33/39/94/1223333994.db2.gz RNIUZVMRGAVKPP-BHYGNILZSA-N 2 0 362.449 0.550 20 0 FCADRP C[NH+](C)CCn1cc(-c2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)cn1 ZINC001206333798 1223355806 /nfs/dbraw/zinc/35/58/06/1223355806.db2.gz ZXTJGOHHBQVDKY-UHFFFAOYSA-N 2 0 357.462 0.726 20 0 FCADRP Cn1nnc2c1CCN(CC1CC[NH2+]CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001207435330 1223446643 /nfs/dbraw/zinc/44/66/43/1223446643.db2.gz LEBBITBPRICVJW-GOSISDBHSA-N 2 0 362.522 0.826 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001207482089 1223449698 /nfs/dbraw/zinc/44/96/98/1223449698.db2.gz IOBJUECPNSAUBB-KBAYOESNSA-N 2 0 359.474 0.638 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766704 1223478191 /nfs/dbraw/zinc/47/81/91/1223478191.db2.gz DZGGTFXRDDMHPV-OIISXLGYSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784213 1223479011 /nfs/dbraw/zinc/47/90/11/1223479011.db2.gz GGZXKWCSMQZASS-DJIMGWMZSA-N 2 0 359.474 0.575 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1(C)CCOCC1)CC2 ZINC001207968214 1223501348 /nfs/dbraw/zinc/50/13/48/1223501348.db2.gz QDLMETFBUYJUKE-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207988652 1223503372 /nfs/dbraw/zinc/50/33/72/1223503372.db2.gz TZSQVYGRUUJIBU-CXAGYDPISA-N 2 0 355.442 0.911 20 0 FCADRP CC(C)COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036535 1223507692 /nfs/dbraw/zinc/50/76/92/1223507692.db2.gz ORXZBIBWJAMFHA-MJQPBPLVSA-N 2 0 365.518 0.959 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001208092138 1223515857 /nfs/dbraw/zinc/51/58/57/1223515857.db2.gz JSVSVCGLNCMREV-VQIMIIECSA-N 2 0 363.502 0.850 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281295 1223529588 /nfs/dbraw/zinc/52/95/88/1223529588.db2.gz BEFNOXKZYSCIRA-BRWVUGGUSA-N 2 0 371.522 0.321 20 0 FCADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612182 1223563535 /nfs/dbraw/zinc/56/35/35/1223563535.db2.gz GJHHAKTZHWLIOK-MOPGFXCFSA-N 2 0 360.550 0.904 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611964 1223564229 /nfs/dbraw/zinc/56/42/29/1223564229.db2.gz YVVHSLNAPFUSEV-ZWKOTPCHSA-N 2 0 365.518 0.916 20 0 FCADRP C[NH+](C)CCCN1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276609911 1223594334 /nfs/dbraw/zinc/59/43/34/1223594334.db2.gz MMTQRNNJSLLTJQ-HXUWFJFHSA-N 2 0 365.566 0.643 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149698 1223600681 /nfs/dbraw/zinc/60/06/81/1223600681.db2.gz CNURWIATDOKLBY-NVXWUHKLSA-N 2 0 367.538 0.862 20 0 FCADRP CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276630231 1223609142 /nfs/dbraw/zinc/60/91/42/1223609142.db2.gz NNAYJEZVNPPANY-AEFFLSMTSA-N 2 0 364.534 0.820 20 0 FCADRP COCCOCN1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276630213 1223609455 /nfs/dbraw/zinc/60/94/55/1223609455.db2.gz MKPBRWWARAPFQS-LJQANCHMSA-N 2 0 368.522 0.311 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)CC1 ZINC001276637180 1223614581 /nfs/dbraw/zinc/61/45/81/1223614581.db2.gz XKINOAKJYLOKDI-FQEVSTJZSA-N 2 0 364.534 0.727 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001209642700 1223636191 /nfs/dbraw/zinc/63/61/91/1223636191.db2.gz NNCGHBUBWMZOLT-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001209642701 1223636476 /nfs/dbraw/zinc/63/64/76/1223636476.db2.gz NNCGHBUBWMZOLT-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP CCN(CC)C(=O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835896 1223652594 /nfs/dbraw/zinc/65/25/94/1223652594.db2.gz FBJCIMJVNDLRJG-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297193 1223681299 /nfs/dbraw/zinc/68/12/99/1223681299.db2.gz DICXLAWLQUJUEF-IAGOWNOFSA-N 2 0 366.510 0.463 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315661 1223682431 /nfs/dbraw/zinc/68/24/31/1223682431.db2.gz UZXLERRFGGRXDL-RHSMWYFYSA-N 2 0 362.474 0.300 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213344270 1223788954 /nfs/dbraw/zinc/78/89/54/1223788954.db2.gz JZRGEPFEDFRSOL-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730840 1223840840 /nfs/dbraw/zinc/84/08/40/1223840840.db2.gz ZHNIMSUFNODXGX-KZNAEPCWSA-N 2 0 365.474 0.114 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213754252 1223844353 /nfs/dbraw/zinc/84/43/53/1223844353.db2.gz VUPNRSGQWFYMTF-QZTJIDSGSA-N 2 0 365.522 0.993 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863046 1223863725 /nfs/dbraw/zinc/86/37/25/1223863725.db2.gz ASHWKBWGYSXEOZ-KBAYOESNSA-N 2 0 369.506 0.197 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863032 1223863913 /nfs/dbraw/zinc/86/39/13/1223863913.db2.gz ADFGCYNIMCSTOU-KZNAEPCWSA-N 2 0 371.522 0.585 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929576 1223874225 /nfs/dbraw/zinc/87/42/25/1223874225.db2.gz CCRREGHCVCMWLJ-IAGOWNOFSA-N 2 0 366.510 0.604 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCC(=O)OC(C)(C)C)C2 ZINC001276709115 1223893924 /nfs/dbraw/zinc/89/39/24/1223893924.db2.gz QPATZABZPVDOJS-IBGZPJMESA-N 2 0 369.506 0.831 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335612 1223901929 /nfs/dbraw/zinc/90/19/29/1223901929.db2.gz DGCSNVJOTZVYKD-KCPJHIHWSA-N 2 0 362.478 0.496 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001214336247 1223902183 /nfs/dbraw/zinc/90/21/83/1223902183.db2.gz ZMMKXOCRTQRPIQ-DJIMGWMZSA-N 2 0 362.474 0.769 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000978163024 1248711325 /nfs/dbraw/zinc/71/13/25/1248711325.db2.gz AKBVTJDVUZLAMY-FGTAOJJYSA-N 2 0 362.518 0.679 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214610671 1223926004 /nfs/dbraw/zinc/92/60/04/1223926004.db2.gz BZGVEGKCFVFVNB-NXHRZFHOSA-N 2 0 368.522 0.448 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856004 1223948368 /nfs/dbraw/zinc/94/83/68/1223948368.db2.gz UHVFOIFXDXZWHN-RBSFLKMASA-N 2 0 367.494 0.141 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)no1 ZINC001214968816 1223960245 /nfs/dbraw/zinc/96/02/45/1223960245.db2.gz DMJFZORTODLEAC-YUELXQCFSA-N 2 0 363.462 0.842 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122195 1223975484 /nfs/dbraw/zinc/97/54/84/1223975484.db2.gz MLUULATZCBZFBW-DVOMOZLQSA-N 2 0 356.430 0.452 20 0 FCADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001215226486 1223983638 /nfs/dbraw/zinc/98/36/38/1223983638.db2.gz KNLOZFZRNPAWQG-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298880 1223991280 /nfs/dbraw/zinc/99/12/80/1223991280.db2.gz LOWFAYRHHKEGGN-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@@H+]1C ZINC000978180209 1248717601 /nfs/dbraw/zinc/71/76/01/1248717601.db2.gz MFDZLWCUIMWEJI-FGTAOJJYSA-N 2 0 358.486 0.520 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)no1 ZINC001215473753 1224001149 /nfs/dbraw/zinc/00/11/49/1224001149.db2.gz GCBOGYYSHXARCQ-SUYBPPKGSA-N 2 0 365.478 0.944 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518997 1224003918 /nfs/dbraw/zinc/00/39/18/1224003918.db2.gz UCHXAMDACILFLW-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1)[NH+](C)C ZINC001215571911 1224007013 /nfs/dbraw/zinc/00/70/13/1224007013.db2.gz ZAZKKOHEJPAEJO-MCIONIFRSA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1)[NH+]1CCCC1 ZINC001215599086 1224008597 /nfs/dbraw/zinc/00/85/97/1224008597.db2.gz QOHUONZZINTDLB-FGTMMUONSA-N 2 0 363.506 0.821 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001215989425 1224028347 /nfs/dbraw/zinc/02/83/47/1224028347.db2.gz BDCONXYYIUXUKZ-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001215989982 1224029040 /nfs/dbraw/zinc/02/90/40/1224029040.db2.gz PXRAMGAAZNSGSI-QLFBSQMISA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216090694 1224033614 /nfs/dbraw/zinc/03/36/14/1224033614.db2.gz NAGMUYBVAAJMMX-RHSMWYFYSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216099582 1224034214 /nfs/dbraw/zinc/03/42/14/1224034214.db2.gz UUINKABMJOOJDH-CKEIUWERSA-N 2 0 366.506 0.201 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216213573 1224038932 /nfs/dbraw/zinc/03/89/32/1224038932.db2.gz OGWLSBZZLMBQNQ-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216382802 1224047502 /nfs/dbraw/zinc/04/75/02/1224047502.db2.gz CWCDCMGZWBCTDG-OWCLPIDISA-N 2 0 367.538 0.862 20 0 FCADRP COc1ncc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)c(C)n1 ZINC001216401575 1224048420 /nfs/dbraw/zinc/04/84/20/1224048420.db2.gz NBAROFAAGKZURY-CZUORRHYSA-N 2 0 365.478 0.308 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413476 1224048938 /nfs/dbraw/zinc/04/89/38/1224048938.db2.gz KGIWNBYSYNNJPF-GDBMZVCRSA-N 2 0 361.490 0.970 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001216772880 1224070907 /nfs/dbraw/zinc/07/09/07/1224070907.db2.gz OMELCPANMZHHSU-BZUAXINKSA-N 2 0 364.490 0.494 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216830415 1224076255 /nfs/dbraw/zinc/07/62/55/1224076255.db2.gz PATFVUVNOPZCJA-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838738 1224077495 /nfs/dbraw/zinc/07/74/95/1224077495.db2.gz DIEJAIYQYHLXMT-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC001217009804 1224084232 /nfs/dbraw/zinc/08/42/32/1224084232.db2.gz GHFCYAWERHBJIJ-JFIYKMOQSA-N 2 0 358.442 0.760 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988085440 1249330508 /nfs/dbraw/zinc/33/05/08/1249330508.db2.gz JKEWHXBTALBXBB-VYDXJSESSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993832941 1250000108 /nfs/dbraw/zinc/00/01/08/1250000108.db2.gz FWDDPTAOFXSWEM-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000848931894 1245388283 /nfs/dbraw/zinc/38/82/83/1245388283.db2.gz IHHRIHQPPWYCAX-WCXIOVBPSA-N 2 0 364.490 0.099 20 0 FCADRP CCN(C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000891497206 1245452166 /nfs/dbraw/zinc/45/21/66/1245452166.db2.gz GNTBPUHYGHBLSW-KRWDZBQOSA-N 2 0 361.490 0.871 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH2+]CCC12CCC2 ZINC000891567139 1245455455 /nfs/dbraw/zinc/45/54/55/1245455455.db2.gz VWDHZNKGCMKZPQ-QGZVFWFLSA-N 2 0 365.522 0.321 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575909 1245455660 /nfs/dbraw/zinc/45/56/60/1245455660.db2.gz IUOUNTOQUDHOJT-QXSJWSMHSA-N 2 0 363.462 0.047 20 0 FCADRP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000891601466 1245456865 /nfs/dbraw/zinc/45/68/65/1245456865.db2.gz GABROYUMPHYTQA-IAGOWNOFSA-N 2 0 367.538 0.328 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892410040 1245459755 /nfs/dbraw/zinc/45/97/55/1245459755.db2.gz FNADBBLWKVKFEA-QGZVFWFLSA-N 2 0 363.506 0.608 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556805 1245513779 /nfs/dbraw/zinc/51/37/79/1245513779.db2.gz MJQGEBLMPKHDDG-JKSUJKDBSA-N 2 0 359.474 0.767 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NC1CC[NH+](CCO)CC1)C2 ZINC000917838632 1245562374 /nfs/dbraw/zinc/56/23/74/1245562374.db2.gz WSWJLJFYGNFOKL-VXNCWWDNSA-N 2 0 368.522 0.222 20 0 FCADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280663 1245703377 /nfs/dbraw/zinc/70/33/77/1245703377.db2.gz CEDTVCWKJCSNCP-QZTJIDSGSA-N 2 0 361.486 0.879 20 0 FCADRP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923264671 1245703481 /nfs/dbraw/zinc/70/34/81/1245703481.db2.gz UWYBSUOFYAXPGO-JGAFCMAOSA-N 2 0 366.481 0.715 20 0 FCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000923485762 1245725155 /nfs/dbraw/zinc/72/51/55/1245725155.db2.gz LFZFFZQAWMCIML-QGZVFWFLSA-N 2 0 374.485 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000938041165 1245815009 /nfs/dbraw/zinc/81/50/09/1245815009.db2.gz TZPOVNVYUVUDNB-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941374772 1246583384 /nfs/dbraw/zinc/58/33/84/1246583384.db2.gz ITFZLABWNVPNEP-BRWVUGGUSA-N 2 0 371.441 0.384 20 0 FCADRP CO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941376602 1246585374 /nfs/dbraw/zinc/58/53/74/1246585374.db2.gz CBEYCTJAYRUPGG-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548271 1247122790 /nfs/dbraw/zinc/12/27/90/1247122790.db2.gz RBCJNCQNXWBDQF-IXDOHACOSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000946775790 1248009529 /nfs/dbraw/zinc/00/95/29/1248009529.db2.gz QHQGLLIRPPLASY-USXIJHARSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@@H+]1C ZINC000946907672 1248069680 /nfs/dbraw/zinc/06/96/80/1248069680.db2.gz MSDMJIYJTNNRDO-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC000972739087 1248127140 /nfs/dbraw/zinc/12/71/40/1248127140.db2.gz NWXGCFMECZHJJW-JFIYKMOQSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)n1 ZINC001515185396 1265458704 /nfs/dbraw/zinc/45/87/04/1265458704.db2.gz YCHWESHNDZDCCD-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC000974905537 1248185020 /nfs/dbraw/zinc/18/50/20/1248185020.db2.gz FMSAEPBWVGGIPQ-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976661251 1248329775 /nfs/dbraw/zinc/32/97/75/1248329775.db2.gz VKWBRXVVHIJHKK-OBRKIGFESA-N 2 0 362.518 0.774 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000976697856 1248344046 /nfs/dbraw/zinc/34/40/46/1248344046.db2.gz FVJMWEIIWCUGHG-KZNAEPCWSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1 ZINC000994335049 1250383400 /nfs/dbraw/zinc/38/34/00/1250383400.db2.gz FPLGWPPQBFNQNJ-GVDBMIGSSA-N 2 0 362.518 0.635 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)cc1 ZINC001516584489 1265558200 /nfs/dbraw/zinc/55/82/00/1265558200.db2.gz VXNZUONXEVDMMX-OAHLLOKOSA-N 2 0 361.446 0.336 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC000996385416 1251334812 /nfs/dbraw/zinc/33/48/12/1251334812.db2.gz JUELLXZZBIUIPB-MHORFTMASA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000996607378 1251403417 /nfs/dbraw/zinc/40/34/17/1251403417.db2.gz NUWCLVZKLMZFAV-ZMSDIMECSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1)C(N)=O ZINC000997036202 1251477252 /nfs/dbraw/zinc/47/72/52/1251477252.db2.gz WPAYNNSZKGEADS-OLMNPRSZSA-N 2 0 358.486 0.786 20 0 FCADRP CC(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001517146075 1265587118 /nfs/dbraw/zinc/58/71/18/1265587118.db2.gz KIFDULPJDBDRFQ-CQSZACIVSA-N 2 0 350.467 0.950 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001328732714 1265604324 /nfs/dbraw/zinc/60/43/24/1265604324.db2.gz MBDUBTNJYZELLN-AEFFLSMTSA-N 2 0 360.502 0.987 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCO)C3)nn2)CC[N@@H+]1C ZINC000999985441 1252258268 /nfs/dbraw/zinc/25/82/68/1252258268.db2.gz CDWIQOISSWQVPJ-IXDOHACOSA-N 2 0 364.494 0.254 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001003744821 1253086889 /nfs/dbraw/zinc/08/68/89/1253086889.db2.gz BMNHKSUKCPZMNL-ZJPYXAASSA-N 2 0 362.518 0.917 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC001329273046 1265724196 /nfs/dbraw/zinc/72/41/96/1265724196.db2.gz NRFGIKROPYJEDJ-UHFFFAOYSA-N 2 0 354.458 0.737 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001519813204 1265777325 /nfs/dbraw/zinc/77/73/25/1265777325.db2.gz ZIQCCQQSVXQSTI-QAPCUYQASA-N 2 0 372.517 0.939 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1C[NH+](C)CCN1C ZINC001519902876 1265795821 /nfs/dbraw/zinc/79/58/21/1265795821.db2.gz VNLZNQJYEXOOET-PMPSAXMXSA-N 2 0 355.527 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@H]4CCCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035186341 1254019919 /nfs/dbraw/zinc/01/99/19/1254019919.db2.gz ARCKBXMCUHUFBW-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1C[NH+](C)CCN1C ZINC001519902872 1265797500 /nfs/dbraw/zinc/79/75/00/1265797500.db2.gz VNLZNQJYEXOOET-JYJNAYRXSA-N 2 0 355.527 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC2)CC[N@@H+]1C ZINC001063869665 1254398441 /nfs/dbraw/zinc/39/84/41/1254398441.db2.gz STTKPSPRICWQCC-MDZRGWNJSA-N 2 0 362.518 0.968 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065291696 1254500801 /nfs/dbraw/zinc/50/08/01/1254500801.db2.gz XTQKYMHGEHPRRG-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798712 1254619422 /nfs/dbraw/zinc/61/94/22/1254619422.db2.gz LOCZKTDLVJGQBI-YTQUADARSA-N 2 0 357.502 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440516 1254664538 /nfs/dbraw/zinc/66/45/38/1254664538.db2.gz OMNATYOCVYAFOL-GUDVDZBRSA-N 2 0 365.518 0.839 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cc1 ZINC001077675485 1254857142 /nfs/dbraw/zinc/85/71/42/1254857142.db2.gz OQUCYGOHDCXINW-KFKAGJAMSA-N 2 0 361.486 0.883 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)cc1 ZINC001077838828 1255038788 /nfs/dbraw/zinc/03/87/88/1255038788.db2.gz QCSVPEJMPSOWCR-RTBURBONSA-N 2 0 361.486 0.950 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978541 1255140527 /nfs/dbraw/zinc/14/05/27/1255140527.db2.gz HQEURGOJNKEGES-RTBURBONSA-N 2 0 365.518 0.696 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078011941 1255167816 /nfs/dbraw/zinc/16/78/16/1255167816.db2.gz ORVNBPYPUMUFED-QZTJIDSGSA-N 2 0 359.470 0.495 20 0 FCADRP O=C(N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001079146408 1255458769 /nfs/dbraw/zinc/45/87/69/1255458769.db2.gz KVMICNKMEUEIKQ-QZTJIDSGSA-N 2 0 359.470 0.148 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494428 1255529015 /nfs/dbraw/zinc/52/90/15/1255529015.db2.gz CZBFFZICRUYNGM-MZMPZRCHSA-N 2 0 356.474 0.999 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001079861313 1255638699 /nfs/dbraw/zinc/63/86/99/1255638699.db2.gz UZJDWOGBTCRYEN-DLBZAZTESA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254982 1255808762 /nfs/dbraw/zinc/80/87/62/1255808762.db2.gz KYOWHBHJRIRAOR-HUUCEWRRSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593175 1255946230 /nfs/dbraw/zinc/94/62/30/1255946230.db2.gz MKYFMPUZFNFFFC-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593236 1255946449 /nfs/dbraw/zinc/94/64/49/1255946449.db2.gz PWXBPGWDRQRKHP-NVXWUHKLSA-N 2 0 359.478 0.392 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)CCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001080878056 1256072100 /nfs/dbraw/zinc/07/21/00/1256072100.db2.gz YBROLKCTNFIWIG-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)CC1 ZINC001081205302 1256206814 /nfs/dbraw/zinc/20/68/14/1256206814.db2.gz OFKZFTJVXKLLGE-RBUKOAKNSA-N 2 0 361.486 0.674 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001081932768 1256458469 /nfs/dbraw/zinc/45/84/69/1256458469.db2.gz XOGPLURWDNKPJZ-BMGDILEWSA-N 2 0 371.441 0.733 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223085 1256597129 /nfs/dbraw/zinc/59/71/29/1256597129.db2.gz ASGKXZSXHTYFES-NANBGGJNSA-N 2 0 363.506 0.920 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515173 1256799366 /nfs/dbraw/zinc/79/93/66/1256799366.db2.gz CTNHFDOETLAFNP-FSPWUOQZSA-N 2 0 360.506 0.673 20 0 FCADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)nn1 ZINC001082515389 1256801449 /nfs/dbraw/zinc/80/14/49/1256801449.db2.gz MHKQMCMTKFUUJT-XOKHGSTOSA-N 2 0 359.474 0.764 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082557055 1256851480 /nfs/dbraw/zinc/85/14/80/1256851480.db2.gz MXXKMKYMTXRROD-RBSFLKMASA-N 2 0 364.494 0.023 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082592758 1256905387 /nfs/dbraw/zinc/90/53/87/1256905387.db2.gz VRVUCJDUIXHARX-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082620526 1256931732 /nfs/dbraw/zinc/93/17/32/1256931732.db2.gz AUZCYDQPZAPOLC-RHSMWYFYSA-N 2 0 371.441 0.243 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001082637148 1256944179 /nfs/dbraw/zinc/94/41/79/1256944179.db2.gz OGBNNZFGUQPSCW-IVMMDQJWSA-N 2 0 356.430 0.581 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082783785 1257048240 /nfs/dbraw/zinc/04/82/40/1257048240.db2.gz OTJMWUOCEOUTNU-GDBMZVCRSA-N 2 0 364.490 0.304 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001082798505 1257057643 /nfs/dbraw/zinc/05/76/43/1257057643.db2.gz XUONTKKKHGEZCK-CZUORRHYSA-N 2 0 360.462 0.991 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001082835759 1257092561 /nfs/dbraw/zinc/09/25/61/1257092561.db2.gz VCQXJBSUZLSYGK-NVXWUHKLSA-N 2 0 365.522 0.569 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001082923631 1257147569 /nfs/dbraw/zinc/14/75/69/1257147569.db2.gz UWIQTXIHIACATE-JFIYKMOQSA-N 2 0 363.506 0.367 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)ncn1 ZINC001082923579 1257147830 /nfs/dbraw/zinc/14/78/30/1257147830.db2.gz RAMBHRWVXKQMKE-IIDMSEBBSA-N 2 0 361.490 0.690 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001082923502 1257148460 /nfs/dbraw/zinc/14/84/60/1257148460.db2.gz MOBFCEVLFOVRPY-RVKKMQEKSA-N 2 0 361.490 0.690 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC001330969515 1266124166 /nfs/dbraw/zinc/12/41/66/1266124166.db2.gz IDGACOCMMUYHCV-IBGZPJMESA-N 2 0 358.486 0.816 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083833731 1257587140 /nfs/dbraw/zinc/58/71/40/1257587140.db2.gz RQHFQBXRAFDDBU-QRVBRYPASA-N 2 0 367.534 0.821 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)cn1 ZINC001083851187 1257607980 /nfs/dbraw/zinc/60/79/80/1257607980.db2.gz RJIHOOCFUNADOI-CABCVRRESA-N 2 0 371.432 0.265 20 0 FCADRP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083952933 1257740934 /nfs/dbraw/zinc/74/09/34/1257740934.db2.gz APGIFZNEAGULKT-QRQLOZEOSA-N 2 0 361.486 0.836 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083955088 1257743476 /nfs/dbraw/zinc/74/34/76/1257743476.db2.gz WBPFIKGLUMXZFC-UHOSZYNNSA-N 2 0 361.486 0.741 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053955 1257865072 /nfs/dbraw/zinc/86/50/72/1257865072.db2.gz QNALSHOTSIDRSV-QRQLOZEOSA-N 2 0 369.469 0.485 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001521604717 1266148160 /nfs/dbraw/zinc/14/81/60/1266148160.db2.gz VDBDVXQMURATCF-LJQANCHMSA-N 2 0 353.507 0.842 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@@H+]1C ZINC001084355879 1258047197 /nfs/dbraw/zinc/04/71/97/1258047197.db2.gz MKPCAURZKUKVMF-VDHUWJSZSA-N 2 0 358.486 0.758 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)n1 ZINC001084406314 1258086952 /nfs/dbraw/zinc/08/69/52/1258086952.db2.gz MDOWJLNGVWDGTN-KZNAEPCWSA-N 2 0 360.506 0.768 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084521930 1258149063 /nfs/dbraw/zinc/14/90/63/1258149063.db2.gz AWWWBCCNMQTOMM-RHSMWYFYSA-N 2 0 368.441 0.506 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660561 1258222547 /nfs/dbraw/zinc/22/25/47/1258222547.db2.gz LLNBIVYQIJWCQP-CGTJXYLNSA-N 2 0 358.486 0.902 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663276 1258224401 /nfs/dbraw/zinc/22/44/01/1258224401.db2.gz VHLZJAHGBPBZKV-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331197335 1266168447 /nfs/dbraw/zinc/16/84/47/1266168447.db2.gz QDUPZEAEDPBBKY-KURKYZTESA-N 2 0 358.486 0.820 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702065 1258250629 /nfs/dbraw/zinc/25/06/29/1258250629.db2.gz FGOXQEURNZTWJK-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084834320 1258381929 /nfs/dbraw/zinc/38/19/29/1258381929.db2.gz VMBMMRLDKSPCCK-KZNAEPCWSA-N 2 0 361.490 0.384 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084941489 1258454871 /nfs/dbraw/zinc/45/48/71/1258454871.db2.gz LMIZWTRFXYXGSV-SQNIBIBYSA-N 2 0 358.490 0.543 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cncn4)[C@H]3C2)CC[N@@H+]1C ZINC001084944737 1258457455 /nfs/dbraw/zinc/45/74/55/1258457455.db2.gz KJORYBRASJUUQM-XDNAFOTISA-N 2 0 360.506 0.931 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001084969113 1258483460 /nfs/dbraw/zinc/48/34/60/1258483460.db2.gz VYHRSNKIVKSYMQ-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001085203099 1258629225 /nfs/dbraw/zinc/62/92/25/1258629225.db2.gz OSKCDIUIRWAQKL-RRFJBIMHSA-N 2 0 364.494 0.339 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086734932 1258632276 /nfs/dbraw/zinc/63/22/76/1258632276.db2.gz ZDUDHLVDQIMJIM-SQWLQELKSA-N 2 0 361.494 0.867 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153583 1258665069 /nfs/dbraw/zinc/66/50/69/1258665069.db2.gz BECVPNMGFTXUHI-HLLBOEOZSA-N 2 0 366.506 0.141 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170072 1258690557 /nfs/dbraw/zinc/69/05/57/1258690557.db2.gz DBXAMLQMEIOLSB-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172183 1258692246 /nfs/dbraw/zinc/69/22/46/1258692246.db2.gz ZCBYMXHZAWUXJL-IKGGRYGDSA-N 2 0 360.502 0.483 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173120 1258693190 /nfs/dbraw/zinc/69/31/90/1258693190.db2.gz TXJRNMQYPGVYPA-CABCVRRESA-N 2 0 359.474 0.630 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088172864 1258693681 /nfs/dbraw/zinc/69/36/81/1258693681.db2.gz HXHHFTWLTMWZLH-KEYYUXOJSA-N 2 0 357.458 0.430 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200964 1258721285 /nfs/dbraw/zinc/72/12/85/1258721285.db2.gz DGYAEPQBGUIVSC-SJORKVTESA-N 2 0 360.506 0.983 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088200177 1258721972 /nfs/dbraw/zinc/72/19/72/1258721972.db2.gz RVQFUOUAQLXTIH-OAGGEKHMSA-N 2 0 359.474 0.717 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211711 1258734854 /nfs/dbraw/zinc/73/48/54/1258734854.db2.gz WDEQOUVNEBOCFM-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)C1=O ZINC001088211989 1258734893 /nfs/dbraw/zinc/73/48/93/1258734893.db2.gz JGCWHQYUAVODMI-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828888 1258857669 /nfs/dbraw/zinc/85/76/69/1258857669.db2.gz UKLSUVXAMUTHJE-UNEWFSDZSA-N 2 0 355.442 0.911 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC001331450341 1266216817 /nfs/dbraw/zinc/21/68/17/1266216817.db2.gz FBGDTWNBIIIHFH-UHFFFAOYSA-N 2 0 374.533 0.138 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C)C(N)=O ZINC001104369123 1258915756 /nfs/dbraw/zinc/91/57/56/1258915756.db2.gz UFLOSBVHJDJAPU-OWCLPIDISA-N 2 0 361.490 0.856 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105652554 1258922386 /nfs/dbraw/zinc/92/23/86/1258922386.db2.gz NGOXUKYRKZNINM-PDOICOKGSA-N 2 0 367.534 0.677 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105662638 1258922946 /nfs/dbraw/zinc/92/29/46/1258922946.db2.gz POOHHOXYAPHJAD-VVWQDTPRSA-N 2 0 368.522 0.040 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001106594661 1258926907 /nfs/dbraw/zinc/92/69/07/1258926907.db2.gz ZYZPEAMNPORIQE-HLLBOEOZSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC001106622968 1258929364 /nfs/dbraw/zinc/92/93/64/1258929364.db2.gz ADWKPQPXKGVQSF-ZACQAIPSSA-N 2 0 367.490 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106666548 1258936799 /nfs/dbraw/zinc/93/67/99/1258936799.db2.gz NYHICNKHCNMGQG-CLCXKQKWSA-N 2 0 370.513 0.971 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106672156 1258938063 /nfs/dbraw/zinc/93/80/63/1258938063.db2.gz HRLROJLFPKLYLT-MGPQQGTHSA-N 2 0 369.510 0.232 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001106877829 1258985942 /nfs/dbraw/zinc/98/59/42/1258985942.db2.gz ARNSJSBXFWCMJM-NVXWUHKLSA-N 2 0 364.490 0.148 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)NC(C)(C)C ZINC001106881598 1258987667 /nfs/dbraw/zinc/98/76/67/1258987667.db2.gz GENRKCMCBNNFIX-OWCLPIDISA-N 2 0 370.538 0.552 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106997619 1259015225 /nfs/dbraw/zinc/01/52/25/1259015225.db2.gz MJFAXKPYDQXOEY-HZPDHXFCSA-N 2 0 363.510 0.660 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC1CC1)CC2 ZINC001107329556 1259054497 /nfs/dbraw/zinc/05/44/97/1259054497.db2.gz ZHTMEXSIIPLXPA-MBOZVWFJSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609506 1259132255 /nfs/dbraw/zinc/13/22/55/1259132255.db2.gz VMOYBNCDANLUOI-VQIMIIECSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107615522 1259133698 /nfs/dbraw/zinc/13/36/98/1259133698.db2.gz FSCIYCWLDLSNKT-RDTXWAMCSA-N 2 0 367.494 0.274 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2 ZINC001107633154 1259141013 /nfs/dbraw/zinc/14/10/13/1259141013.db2.gz MFTMORSNWBMSPH-YLJYHZDGSA-N 2 0 362.518 0.969 20 0 FCADRP C[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543827 1259166104 /nfs/dbraw/zinc/16/61/04/1259166104.db2.gz XVJBDIPNJLTRJW-AYBZRNKSSA-N 2 0 363.506 0.657 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127695425 1259184374 /nfs/dbraw/zinc/18/43/74/1259184374.db2.gz KLPYNRZXRYHESZ-MELADBBJSA-N 2 0 369.510 0.435 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089639 1259308875 /nfs/dbraw/zinc/30/88/75/1259308875.db2.gz MNBHHYAAEUGORT-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001129093715 1259310337 /nfs/dbraw/zinc/31/03/37/1259310337.db2.gz OYYQOAWWLJGBMT-CVEARBPZSA-N 2 0 362.478 0.285 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210266 1259345452 /nfs/dbraw/zinc/34/54/52/1259345452.db2.gz OOFZELGLEVPIFX-CVEARBPZSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219869 1259347867 /nfs/dbraw/zinc/34/78/67/1259347867.db2.gz LCRCRYSIDUALMW-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258381 1259357898 /nfs/dbraw/zinc/35/78/98/1259357898.db2.gz YAUPLJHBLNNMGC-IKGGRYGDSA-N 2 0 366.510 0.777 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276191 1259360932 /nfs/dbraw/zinc/36/09/32/1259360932.db2.gz AGZYXVBXPXVAFP-XHSDSOJGSA-N 2 0 366.510 0.632 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267234 1259361623 /nfs/dbraw/zinc/36/16/23/1259361623.db2.gz ZVVMDUPGTVMYDL-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001200537647 1259416536 /nfs/dbraw/zinc/41/65/36/1259416536.db2.gz SISQRJMDXKWDGZ-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCO[C@H](C[NH2+]CCF)C2)CC1 ZINC001200529697 1259416688 /nfs/dbraw/zinc/41/66/88/1259416688.db2.gz XIFNEEAPCSQTOD-KURKYZTESA-N 2 0 371.497 0.910 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001200547481 1259416859 /nfs/dbraw/zinc/41/68/59/1259416859.db2.gz NQHGNOHFNIYVKD-DJIMGWMZSA-N 2 0 366.506 0.060 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555244 1259416947 /nfs/dbraw/zinc/41/69/47/1259416947.db2.gz PLFNVAHUWVVJLP-YESZJQIVSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(=O)N(C)C ZINC001211669147 1259426413 /nfs/dbraw/zinc/42/64/13/1259426413.db2.gz KUHMZWXCFWYMKC-RYQLBKOJSA-N 2 0 360.502 0.999 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707500 1259427359 /nfs/dbraw/zinc/42/73/59/1259427359.db2.gz WMKAZZNPCYMZPS-RYQLBKOJSA-N 2 0 358.486 0.658 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001331670702 1266261999 /nfs/dbraw/zinc/26/19/99/1266261999.db2.gz YSTWXXZVYHSEBO-QAQDUYKDSA-N 2 0 366.506 0.191 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419244 1259498695 /nfs/dbraw/zinc/49/86/95/1259498695.db2.gz XRSJZLDWACIEMJ-ARFHVFGLSA-N 2 0 362.478 0.065 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC001331695322 1266266742 /nfs/dbraw/zinc/26/67/42/1266266742.db2.gz QSJGBJDGYXGPQX-ROUUACIJSA-N 2 0 373.501 0.892 20 0 FCADRP c1c(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)c2cccc3c2n1CC[NH2+]C3 ZINC001234996724 1259565875 /nfs/dbraw/zinc/56/58/75/1259565875.db2.gz CUYPDLMRZRSEGU-HXUWFJFHSA-N 2 0 356.470 0.935 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001234998472 1259566043 /nfs/dbraw/zinc/56/60/43/1259566043.db2.gz NTVBEFQSMRZKHQ-FQEVSTJZSA-N 2 0 360.502 0.283 20 0 FCADRP [NH3+]CCNC(=O)c1cccc(CN2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001235142426 1259567153 /nfs/dbraw/zinc/56/71/53/1259567153.db2.gz AMRJFYXVLVNVIA-UHFFFAOYSA-N 2 0 369.473 0.061 20 0 FCADRP O=C(C1CC[NH+](Cc2ccccc2N2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001235299663 1259569874 /nfs/dbraw/zinc/56/98/74/1259569874.db2.gz LEXKQPZHDKBVKJ-UHFFFAOYSA-N 3 0 371.529 0.740 20 0 FCADRP CCOC(=O)c1[nH]c2ccccc2c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869291 1259582143 /nfs/dbraw/zinc/58/21/43/1259582143.db2.gz AMKWTPMZMVOBAX-UHFFFAOYSA-N 2 0 373.501 0.929 20 0 FCADRP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)nn1C ZINC001236035308 1259587684 /nfs/dbraw/zinc/58/76/84/1259587684.db2.gz BBUTWKPSZACPCH-KEIZMWOVSA-N 2 0 362.430 0.037 20 0 FCADRP CCOC(=O)Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310875 1259588498 /nfs/dbraw/zinc/58/84/98/1259588498.db2.gz CYFDSRTWUUONNN-UHFFFAOYSA-N 2 0 364.490 0.408 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cncn1Cc1ccccc1 ZINC001236309818 1259588533 /nfs/dbraw/zinc/58/85/33/1259588533.db2.gz PUAHTPJACJJTTI-UHFFFAOYSA-N 2 0 358.490 0.547 20 0 FCADRP COC(=O)[C@@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1[NH3+] ZINC001236350252 1259591200 /nfs/dbraw/zinc/59/12/00/1259591200.db2.gz RGKLOHLSXRMNED-HUUCEWRRSA-N 2 0 358.446 0.128 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccn2)CC1 ZINC001335336097 1259612463 /nfs/dbraw/zinc/61/24/63/1259612463.db2.gz CAJJIHKYYBKOLL-DLBZAZTESA-N 2 0 358.490 0.584 20 0 FCADRP Cn1nncc1CN1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001238165174 1259618678 /nfs/dbraw/zinc/61/86/78/1259618678.db2.gz YJDJXMISMRHHDI-UHFFFAOYSA-N 2 0 361.538 0.491 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001335352298 1259621004 /nfs/dbraw/zinc/62/10/04/1259621004.db2.gz RZADFBAPYVODKP-JKSUJKDBSA-N 2 0 374.485 0.259 20 0 FCADRP COc1ccc(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001239297194 1259624335 /nfs/dbraw/zinc/62/43/35/1259624335.db2.gz UDWCMQDCOXPEFC-UHFFFAOYSA-N 2 0 367.450 0.352 20 0 FCADRP O=C(c1ccc(-c2ccc(N3CC[NH2+]CC3)nn2)cc1)N1CC[NH2+]CC1 ZINC001240108539 1259626336 /nfs/dbraw/zinc/62/63/36/1259626336.db2.gz YWWVHDMLKXDOTN-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP COc1ccccc1C1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246004973 1259642854 /nfs/dbraw/zinc/64/28/54/1259642854.db2.gz LQYWVJNCRHUZKI-MRXNPFEDSA-N 2 0 363.502 0.729 20 0 FCADRP O[C@H](C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036358 1259646669 /nfs/dbraw/zinc/64/66/69/1259646669.db2.gz QHIOKGFWIISLAW-XUVXKRRUSA-N 2 0 359.514 0.931 20 0 FCADRP C[NH+](C)CCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC001246058863 1259646817 /nfs/dbraw/zinc/64/68/17/1259646817.db2.gz MAONUUQKEDRXMV-RBUKOAKNSA-N 3 0 370.488 0.811 20 0 FCADRP O[C@@H](C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036322 1259647163 /nfs/dbraw/zinc/64/71/63/1259647163.db2.gz QHIOKGFWIISLAW-AQNXPRMDSA-N 2 0 359.514 0.931 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@]4(C3)C[NH2+]CCOC4)C[C@H](C1)[NH2+]2 ZINC001246147307 1259648073 /nfs/dbraw/zinc/64/80/73/1259648073.db2.gz XOPQFYHVKARHLE-IMBNWFMCSA-N 3 0 367.490 0.043 20 0 FCADRP CCOC(=O)CC1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246324068 1259652712 /nfs/dbraw/zinc/65/27/12/1259652712.db2.gz FJXYCSXLKZNONF-IRHLINNNSA-N 2 0 367.490 0.724 20 0 FCADRP O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246519311 1259655141 /nfs/dbraw/zinc/65/51/41/1259655141.db2.gz MFKRSYXBUWBCLF-KRWDZBQOSA-N 2 0 355.486 0.509 20 0 FCADRP O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCCO1 ZINC001246691468 1259662643 /nfs/dbraw/zinc/66/26/43/1259662643.db2.gz XSFJZAFXNJGJNB-YLFCFFPRSA-N 2 0 364.490 0.114 20 0 FCADRP c1cnc(N([C@H]2COC3(C2)CC[NH2+]CC3)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246704190 1259664249 /nfs/dbraw/zinc/66/42/49/1259664249.db2.gz LOSRQNSTJWPFCX-JKSUJKDBSA-N 2 0 358.490 0.288 20 0 FCADRP Cn1ccnc1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705039 1259664761 /nfs/dbraw/zinc/66/47/61/1259664761.db2.gz VRMXGKXZOBJAQX-CVEARBPZSA-N 2 0 360.506 0.232 20 0 FCADRP CC(C)C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452940 1259668513 /nfs/dbraw/zinc/66/85/13/1259668513.db2.gz RDNPMEAZZFBAQO-BZSNNMDCSA-N 2 0 354.539 0.608 20 0 FCADRP c1nc2n(c1CN(c1ccccn1)[C@@H]1CCNC3(C[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246723616 1259669492 /nfs/dbraw/zinc/66/94/92/1259669492.db2.gz RPQQLPVMGRJNPV-MRXNPFEDSA-N 2 0 367.501 0.524 20 0 FCADRP c1cnn(C[C@@H]2CC[C@]3(COCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726761 1259669775 /nfs/dbraw/zinc/66/97/75/1259669775.db2.gz TZFZNDSWBGJADR-AOIWGVFYSA-N 2 0 361.490 0.227 20 0 FCADRP O=C(NC1CCC1)[C@H]1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246747357 1259676830 /nfs/dbraw/zinc/67/68/30/1259676830.db2.gz WACMDBOSIJVQML-NVXWUHKLSA-N 2 0 362.518 0.620 20 0 FCADRP O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756627 1259682582 /nfs/dbraw/zinc/68/25/82/1259682582.db2.gz VUQAABTVRSXUED-ZIFCJYIRSA-N 2 0 355.486 0.504 20 0 FCADRP O=C([C@@H]1COc2ccccc2O1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246786371 1259688458 /nfs/dbraw/zinc/68/84/58/1259688458.db2.gz OHTCKARTWUALGA-QAPCUYQASA-N 2 0 372.469 0.065 20 0 FCADRP COc1ccc(OC)c(CN2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246773973 1259689283 /nfs/dbraw/zinc/68/92/83/1259689283.db2.gz DPDDCAGOJUZSEN-KRWDZBQOSA-N 2 0 360.502 0.915 20 0 FCADRP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246778994 1259689404 /nfs/dbraw/zinc/68/94/04/1259689404.db2.gz RHCKXVJRAHKFMB-KRWDZBQOSA-N 3 0 372.517 0.139 20 0 FCADRP O=C([C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[NH2+]1)N1CCSC1 ZINC001246881548 1259692938 /nfs/dbraw/zinc/69/29/38/1259692938.db2.gz UUJYTKPIUSMZNF-LXZJYRNTSA-N 2 0 372.538 0.723 20 0 FCADRP CCN(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335520627 1259695806 /nfs/dbraw/zinc/69/58/06/1259695806.db2.gz HUNARPMKMNDWFS-BMFZPTHFSA-N 2 0 351.495 0.463 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[C@@]4(C(=O)OC)CC[NH2+][C@@H]4C3)C[C@H](C1)[NH2+]2 ZINC001246988708 1259697422 /nfs/dbraw/zinc/69/74/22/1259697422.db2.gz PXKLHJFAPOMOQD-OFVDPTAXSA-N 2 0 365.474 0.286 20 0 FCADRP C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001335530823 1259701042 /nfs/dbraw/zinc/70/10/42/1259701042.db2.gz WQXOJKHZDHFXTE-WMZOPIPTSA-N 2 0 362.522 0.543 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(CNC(=O)[C@@H]3CCC[NH2+]3)n2)CC1 ZINC001248981453 1259719837 /nfs/dbraw/zinc/71/98/37/1259719837.db2.gz HXRXXQBYMRLXRG-HNNXBMFYSA-N 2 0 370.457 0.857 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016577 1259731218 /nfs/dbraw/zinc/73/12/18/1259731218.db2.gz XVLQBACUJVUOFT-AABGKKOBSA-N 2 0 367.534 0.360 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC001335650844 1259764295 /nfs/dbraw/zinc/76/42/95/1259764295.db2.gz SCGCBEQCNSCNLZ-KRWDZBQOSA-N 2 0 350.463 0.222 20 0 FCADRP COc1ccc(OC[C@H](O)C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001252718275 1259805559 /nfs/dbraw/zinc/80/55/59/1259805559.db2.gz PFAQFDHHVQZURJ-MRXNPFEDSA-N 2 0 365.474 0.531 20 0 FCADRP OCCc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C3COC3)CC2)cc1 ZINC001253174169 1259826057 /nfs/dbraw/zinc/82/60/57/1259826057.db2.gz URTFAEVBWKWCJT-IBGZPJMESA-N 2 0 364.486 0.662 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253182388 1259826834 /nfs/dbraw/zinc/82/68/34/1259826834.db2.gz ORDVMYXONSZZGQ-GOSISDBHSA-N 2 0 364.534 0.513 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184609 1259827436 /nfs/dbraw/zinc/82/74/36/1259827436.db2.gz HEQYGRDXUPKTKT-QFBILLFUSA-N 2 0 368.522 0.092 20 0 FCADRP CC(=O)N1CCC([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001254425576 1259883367 /nfs/dbraw/zinc/88/33/67/1259883367.db2.gz IOMMEOOONWVRCP-SJLPKXTDSA-N 2 0 366.506 0.108 20 0 FCADRP CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]C1CCN(C3CC3)CC1)OCC2 ZINC001256066552 1259931993 /nfs/dbraw/zinc/93/19/93/1259931993.db2.gz HPVXJSLPOSQRSU-QGZVFWFLSA-N 2 0 361.490 0.802 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCO)CCN1C(=O)OC(C)(C)C ZINC001256507968 1259953991 /nfs/dbraw/zinc/95/39/91/1259953991.db2.gz ZYDXPSPWAKBFNS-GJZGRUSLSA-N 2 0 373.494 0.831 20 0 FCADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CC[NH+](Cc2ccncc2)CC1 ZINC001256580604 1259956195 /nfs/dbraw/zinc/95/61/95/1259956195.db2.gz STFNODDQZCJPCP-INIZCTEOSA-N 2 0 362.478 0.440 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862313 1259975817 /nfs/dbraw/zinc/97/58/17/1259975817.db2.gz CDKBGQGIZLRELZ-OALUTQOASA-N 2 0 372.513 0.972 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1CC[NH+](CC(C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001258020443 1260032963 /nfs/dbraw/zinc/03/29/63/1260032963.db2.gz TXPLTJORSQOHGH-SFHVURJKSA-N 2 0 364.534 0.975 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC001336253824 1260058350 /nfs/dbraw/zinc/05/83/50/1260058350.db2.gz YRRIOHIHNXAQRB-YESZJQIVSA-N 2 0 365.522 0.808 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270984 1260063614 /nfs/dbraw/zinc/06/36/14/1260063614.db2.gz IBAUGCVIAWQKGH-ZSZQSSIHSA-N 2 0 360.458 0.608 20 0 FCADRP COCC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001261493015 1260150251 /nfs/dbraw/zinc/15/02/51/1260150251.db2.gz GMTVIJQKBNJZGE-HZPDHXFCSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC001331973669 1266311898 /nfs/dbraw/zinc/31/18/98/1266311898.db2.gz QQWHSJOQMVVDMR-XMTFNYHQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(c2nc(NC3CC3)nc(N3C[C@@H](C)[NH2+][C@@H](C)C3)n2)C[C@H](C)[NH2+]1 ZINC001336694776 1260205108 /nfs/dbraw/zinc/20/51/08/1260205108.db2.gz DNEZGSWHOKLFJH-KPWCQOOUSA-N 2 0 360.510 0.241 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccn1 ZINC001336794679 1260224555 /nfs/dbraw/zinc/22/45/55/1260224555.db2.gz MCARCDKPUCIMJN-RBUKOAKNSA-N 2 0 356.470 0.994 20 0 FCADRP COC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001336869129 1260241337 /nfs/dbraw/zinc/24/13/37/1260241337.db2.gz XRLDQJXRVNVRSB-MHORFTMASA-N 2 0 366.506 0.791 20 0 FCADRP CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336893026 1260246956 /nfs/dbraw/zinc/24/69/56/1260246956.db2.gz DIWUEIMLIAXYPL-NRSFXHEJSA-N 2 0 366.506 0.648 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001262073562 1260256555 /nfs/dbraw/zinc/25/65/55/1260256555.db2.gz VWINNGZRPCTIHZ-IYARVYRRSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262095514 1260260205 /nfs/dbraw/zinc/26/02/05/1260260205.db2.gz VQXWALIIKZNGAJ-RCCFBDPRSA-N 2 0 367.538 0.470 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001336966253 1260270951 /nfs/dbraw/zinc/27/09/51/1260270951.db2.gz WLTAUAAIBIWFGG-RDJZCZTQSA-N 2 0 362.474 0.247 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC001337026408 1260289256 /nfs/dbraw/zinc/28/92/56/1260289256.db2.gz NHNHBXIYBRIZII-QAPCUYQASA-N 2 0 370.457 0.998 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001337359139 1260378350 /nfs/dbraw/zinc/37/83/50/1260378350.db2.gz UJIUWDLYGIKHKI-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP CC(C)NC(=O)NCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266183465 1260424010 /nfs/dbraw/zinc/42/40/10/1260424010.db2.gz FTQRLGURVOPFKK-NVXWUHKLSA-N 2 0 367.538 0.957 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001272744461 1260496352 /nfs/dbraw/zinc/49/63/52/1260496352.db2.gz GHNHYWSHXOWPFD-DLBZAZTESA-N 2 0 360.502 0.626 20 0 FCADRP C=C/C=C\CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001332110530 1266337771 /nfs/dbraw/zinc/33/77/71/1266337771.db2.gz VYJKZMTZAKSRTJ-ARJAWSKDSA-N 2 0 371.485 0.958 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)C[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273253923 1260636399 /nfs/dbraw/zinc/63/63/99/1260636399.db2.gz HEBQJIIIWJHXDI-OKZBNKHCSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273257325 1260639705 /nfs/dbraw/zinc/63/97/05/1260639705.db2.gz ZPWFQKUEYPUCTH-QUCCMNQESA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)[C@@H]4CCC[N@H+](C)C4)(C2)C3)CC1 ZINC001273272352 1260643846 /nfs/dbraw/zinc/64/38/46/1260643846.db2.gz HFLMKYRAWWEPJE-APMMTJHUSA-N 2 0 362.518 0.920 20 0 FCADRP CCOC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001278210817 1260687570 /nfs/dbraw/zinc/68/75/70/1260687570.db2.gz HIHOUWCQVDMUMH-IAGOWNOFSA-N 2 0 366.550 0.876 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H](C1)O2 ZINC001278792718 1260733209 /nfs/dbraw/zinc/73/32/09/1260733209.db2.gz ZCQCUXHAFWSAOU-KDURUIRLSA-N 2 0 360.502 0.835 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251748 1266366864 /nfs/dbraw/zinc/36/68/64/1266366864.db2.gz GGSGTTFQIBLWPM-CRAIPNDOSA-N 2 0 358.486 0.665 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCCO4)CC3)[C@@H]2C1 ZINC001279473626 1260876247 /nfs/dbraw/zinc/87/62/47/1260876247.db2.gz ASRMQMJBDWBCJN-KZNAEPCWSA-N 2 0 364.534 0.630 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCCO4)CC3)[C@H]2C1 ZINC001279473628 1260876897 /nfs/dbraw/zinc/87/68/97/1260876897.db2.gz ASRMQMJBDWBCJN-SQNIBIBYSA-N 2 0 364.534 0.630 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2ncccc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001279559377 1260892728 /nfs/dbraw/zinc/89/27/28/1260892728.db2.gz QCJCUCFPGGKZSN-IBGZPJMESA-N 2 0 361.490 0.505 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2cc[nH]c(=O)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001279570093 1260894495 /nfs/dbraw/zinc/89/44/95/1260894495.db2.gz SCRJHPOGUZULBC-IBGZPJMESA-N 2 0 361.490 0.505 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CC[NH2+]CC4)CC3)[C@@H]2C1 ZINC001279614828 1260898946 /nfs/dbraw/zinc/89/89/46/1260898946.db2.gz FYRKCAUMKQYBDU-QZTJIDSGSA-N 3 0 363.550 0.060 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618199 1260900703 /nfs/dbraw/zinc/90/07/03/1260900703.db2.gz UIHFRJJQXYMIEE-INDMIFKZSA-N 2 0 363.502 0.809 20 0 FCADRP COCC[N@@H+]1C[C@H]2C[C@@H](CC(=O)Nc3cnn(CC[NH+](C)C)c3)O[C@H]2C1 ZINC001279720658 1260920823 /nfs/dbraw/zinc/92/08/23/1260920823.db2.gz FVCQPGODJNLVBF-PVAVHDDUSA-N 2 0 365.478 0.509 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2nccnc2N)C3)CC1 ZINC001279870520 1260947810 /nfs/dbraw/zinc/94/78/10/1260947810.db2.gz INHUSECQQUMKSR-XOIINTDNSA-N 2 0 358.490 0.727 20 0 FCADRP CN(C)c1ncc(C[NH2+]C23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)cn1 ZINC001279880461 1260949841 /nfs/dbraw/zinc/94/98/41/1260949841.db2.gz YHQPDFUHVXAITI-UHFFFAOYSA-N 2 0 358.490 0.765 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@H+](C[C@H]2CCC(=O)N2)C3)CC1 ZINC001279900676 1260956396 /nfs/dbraw/zinc/95/63/96/1260956396.db2.gz UWALNMRIASGWAF-UWVAXJGDSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001280076006 1260992218 /nfs/dbraw/zinc/99/22/18/1260992218.db2.gz VLXKWQTVRMDLAB-IAGOWNOFSA-N 2 0 362.518 0.920 20 0 FCADRP COCCC[N@@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001280096606 1261000934 /nfs/dbraw/zinc/00/09/34/1261000934.db2.gz PSEIRNDUDTVCRA-CQSZACIVSA-N 2 0 364.494 0.385 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](C(=O)NCC3COC3)n3nccc3C2)CC1 ZINC001280125424 1261010780 /nfs/dbraw/zinc/01/07/80/1261010780.db2.gz IRERZCCFDWUIRY-GOSISDBHSA-N 2 0 361.490 0.734 20 0 FCADRP CN(C)C(=O)CNC(=O)C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126288 1261011922 /nfs/dbraw/zinc/01/19/22/1261011922.db2.gz WDZJIGVXCPHAFC-ZACQAIPSSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H]1Cc2nnc(C(=O)N3CCCCO3)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001280134289 1261012575 /nfs/dbraw/zinc/01/25/75/1261012575.db2.gz BXHDPGPJMZJNRC-AWEZNQCLSA-N 2 0 362.478 0.692 20 0 FCADRP O=C([C@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1)N1Cc2cncnc2C1 ZINC001280135626 1261013737 /nfs/dbraw/zinc/01/37/37/1261013737.db2.gz PNDXQVRMGVTGFB-QGZVFWFLSA-N 2 0 357.458 0.552 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001280189504 1261026161 /nfs/dbraw/zinc/02/61/61/1261026161.db2.gz VDWLBUSTOOOGMH-FVQBIDKESA-N 2 0 360.458 0.180 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213804 1261035176 /nfs/dbraw/zinc/03/51/76/1261035176.db2.gz SDGQJVONQIAVPB-XMTFNYHQSA-N 2 0 362.518 0.905 20 0 FCADRP C[NH+]1CCC(C)(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280214177 1261035685 /nfs/dbraw/zinc/03/56/85/1261035685.db2.gz AUIUALOTAXZXLU-QGZVFWFLSA-N 2 0 364.509 0.905 20 0 FCADRP CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280214810 1261036484 /nfs/dbraw/zinc/03/64/84/1261036484.db2.gz GMRGMDIMZXOFMK-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCN1CC2(C1)CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)O2 ZINC001280220348 1261038755 /nfs/dbraw/zinc/03/87/55/1261038755.db2.gz AJAYAEBZEVLDSN-MRXNPFEDSA-N 2 0 364.494 0.178 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280220382 1261038869 /nfs/dbraw/zinc/03/88/69/1261038869.db2.gz BIGUGJMYLUNXNH-ALXJQNPVSA-N 2 0 362.522 0.903 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CCCCCC(N)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001280280045 1261045914 /nfs/dbraw/zinc/04/59/14/1261045914.db2.gz HSTHIIRGHQATRM-LJQANCHMSA-N 2 0 367.538 0.250 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001281862126 1261241400 /nfs/dbraw/zinc/24/14/00/1261241400.db2.gz JRRZQAXOLUZGRQ-ARFHVFGLSA-N 2 0 368.522 0.258 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533796 1261472942 /nfs/dbraw/zinc/47/29/42/1261472942.db2.gz BKYGIDMPBVNDBL-SJLPKXTDSA-N 2 0 371.485 0.673 20 0 FCADRP COc1ccc([C@H](CN(C)C)NS(=O)(=O)N2CCN(C)CC2)cc1 ZINC001475287081 1261524876 /nfs/dbraw/zinc/52/48/76/1261524876.db2.gz MIYHBQFZHUSKBG-INIZCTEOSA-N 2 0 356.492 0.380 20 0 FCADRP [NH3+]CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001580319724 1278120564 /nfs/dbraw/zinc/12/05/64/1278120564.db2.gz BDPISYLWAODYMQ-JKSUJKDBSA-N 2 0 364.494 0.637 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580320919 1278121400 /nfs/dbraw/zinc/12/14/00/1278121400.db2.gz NYLJHFYOOWESSL-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580320846 1278121652 /nfs/dbraw/zinc/12/16/52/1278121652.db2.gz LENKJIKKQCTATF-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001580331079 1278130620 /nfs/dbraw/zinc/13/06/20/1278130620.db2.gz ANPRFBHXEWPXGO-ULQDDVLXSA-N 2 0 359.536 0.878 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(NC3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208990 1263136307 /nfs/dbraw/zinc/13/63/07/1263136307.db2.gz RVLGOHLULFGGAJ-ZWKOTPCHSA-N 2 0 361.490 0.433 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374285 1278185288 /nfs/dbraw/zinc/18/52/88/1278185288.db2.gz AOBZEFQGKJKOLL-KMFMINBZSA-N 2 0 369.473 0.897 20 0 FCADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304849593 1263152414 /nfs/dbraw/zinc/15/24/14/1263152414.db2.gz DSRNCRMCTGGAPP-GOEBONIOSA-N 2 0 363.510 0.279 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479295601 1263183120 /nfs/dbraw/zinc/18/31/20/1263183120.db2.gz QCRDZZSLTZPIAC-OVYGPGRDSA-N 2 0 352.523 0.972 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001479511623 1263235791 /nfs/dbraw/zinc/23/57/91/1263235791.db2.gz SHOMJGSKXZJBNC-HYVNUMGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001483769672 1263444956 /nfs/dbraw/zinc/44/49/56/1263444956.db2.gz AVAXHJSNFXVLFZ-SJORKVTESA-N 2 0 358.486 0.706 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001580385253 1278202195 /nfs/dbraw/zinc/20/21/95/1278202195.db2.gz ALZGHXVIGOBIAR-TZMCWYRMSA-N 2 0 370.461 0.427 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318661784 1263597593 /nfs/dbraw/zinc/59/75/93/1263597593.db2.gz OZLQHSZCENPHHU-MSOLQXFVSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC001319601399 1263713236 /nfs/dbraw/zinc/71/32/36/1263713236.db2.gz KMCIAAHYNNNRLR-LJQANCHMSA-N 2 0 357.502 0.445 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580387665 1278210534 /nfs/dbraw/zinc/21/05/34/1278210534.db2.gz ASXCUEWSYHKDQT-XOKHGSTOSA-N 2 0 369.473 0.897 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001495160898 1263800470 /nfs/dbraw/zinc/80/04/70/1263800470.db2.gz NVSCNDYBAOJNKZ-MGPQQGTHSA-N 2 0 367.494 0.189 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001495454718 1263819925 /nfs/dbraw/zinc/81/99/25/1263819925.db2.gz AHYCDGSQLAEYHD-KCYZZUKISA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)CC1 ZINC001321082126 1263904026 /nfs/dbraw/zinc/90/40/26/1263904026.db2.gz YAXSXHFBLLMWCZ-GOEBONIOSA-N 2 0 374.489 0.831 20 0 FCADRP OC[C@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CC1CCOCC1 ZINC001321296394 1263930825 /nfs/dbraw/zinc/93/08/25/1263930825.db2.gz OCWLAZBEFUEMFA-IBGZPJMESA-N 2 0 369.550 0.798 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC001321410973 1263955598 /nfs/dbraw/zinc/95/55/98/1263955598.db2.gz WKVMKNYOODSPLE-SJORKVTESA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001502871065 1264183095 /nfs/dbraw/zinc/18/30/95/1264183095.db2.gz YCJUXQQMBMWRMY-BZUAXINKSA-N 2 0 361.490 0.821 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3ccns3)CC2)CC[N@@H+]1C ZINC001502870202 1264183186 /nfs/dbraw/zinc/18/31/86/1264183186.db2.gz HDGXSWTUYHXBPP-UKRRQHHQSA-N 2 0 352.504 0.926 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322736164 1264252982 /nfs/dbraw/zinc/25/29/82/1264252982.db2.gz VYMBMMVAZNAGMM-SFHVURJKSA-N 2 0 374.533 0.483 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506099984 1264292880 /nfs/dbraw/zinc/29/28/80/1264292880.db2.gz BJIBFGNRJNZZHS-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC001323427030 1264427167 /nfs/dbraw/zinc/42/71/67/1264427167.db2.gz HUZSAUPXYXUXMG-IRXDYDNUSA-N 2 0 366.506 0.081 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001324269368 1264607573 /nfs/dbraw/zinc/60/75/73/1264607573.db2.gz ZRJHGXGKFVWBLF-RDJZCZTQSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001512855498 1264696781 /nfs/dbraw/zinc/69/67/81/1264696781.db2.gz TWDHFTMAJMLNAS-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001325312518 1264843178 /nfs/dbraw/zinc/84/31/78/1264843178.db2.gz ZBVOXQULSRKCCA-KRWDZBQOSA-N 2 0 361.490 0.698 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3ccccc3C[NH3+])C2)CC1 ZINC001325428791 1264883656 /nfs/dbraw/zinc/88/36/56/1264883656.db2.gz UJSDITMNUPSMQY-SFHVURJKSA-N 2 0 358.486 0.952 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001325495115 1264908626 /nfs/dbraw/zinc/90/86/26/1264908626.db2.gz SVBORYIAQOTAFB-LJQANCHMSA-N 2 0 360.458 0.404 20 0 FCADRP O=C(NCC[NH+]1CC=CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001325652553 1264959434 /nfs/dbraw/zinc/95/94/34/1264959434.db2.gz UNSGOQPCEJWMCC-UHFFFAOYSA-N 2 0 359.474 0.964 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326048243 1265051821 /nfs/dbraw/zinc/05/18/21/1265051821.db2.gz XGULMILWHPDSSM-UXLLHSPISA-N 2 0 362.478 0.561 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001580408512 1278246911 /nfs/dbraw/zinc/24/69/11/1278246911.db2.gz MXLVYCIYOVDRKW-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001326473606 1265119268 /nfs/dbraw/zinc/11/92/68/1265119268.db2.gz MHCMQXGEJBMOOH-UHFFFAOYSA-N 2 0 371.485 0.722 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580407879 1278247544 /nfs/dbraw/zinc/24/75/44/1278247544.db2.gz QVPRUOBWDMTVCJ-CXAGYDPISA-N 2 0 369.473 0.803 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001514131001 1265325879 /nfs/dbraw/zinc/32/58/79/1265325879.db2.gz KAFJAPQIVLMUEH-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001327450842 1265325992 /nfs/dbraw/zinc/32/59/92/1265325992.db2.gz YHKNUTAMJIACNL-QGZVFWFLSA-N 2 0 367.538 0.106 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC001327494900 1265341030 /nfs/dbraw/zinc/34/10/30/1265341030.db2.gz CXXVCTVVJMSUQJ-UHFFFAOYSA-N 2 0 357.502 0.985 20 0 FCADRP Cc1ncc2n1CC[C@H](C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2 ZINC001327560791 1265359503 /nfs/dbraw/zinc/35/95/03/1265359503.db2.gz ZFXIMJXRYXDVGZ-INIZCTEOSA-N 2 0 362.474 0.440 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001332673646 1266459127 /nfs/dbraw/zinc/45/91/27/1266459127.db2.gz WZJVYZYGEIBDLY-YQQAZPJKSA-N 2 0 366.506 0.332 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC001522447100 1266556583 /nfs/dbraw/zinc/55/65/83/1266556583.db2.gz SHORFIXMJAUEKA-FUHWJXTLSA-N 2 0 362.474 0.658 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC001333403347 1266593371 /nfs/dbraw/zinc/59/33/71/1266593371.db2.gz CGFNPEXWBGSYKF-QKLQHJQFSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@@H+]1C ZINC001523223044 1266614681 /nfs/dbraw/zinc/61/46/81/1266614681.db2.gz XKBHQHRNBNVAEZ-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)ccn2)CC1 ZINC001333573837 1266635751 /nfs/dbraw/zinc/63/57/51/1266635751.db2.gz DLQPOOYOQGLHAZ-IAGOWNOFSA-N 2 0 358.490 0.869 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001524624790 1266719746 /nfs/dbraw/zinc/71/97/46/1266719746.db2.gz FMMRYQWJAYECAN-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP COC1(OC)CCOC[C@H]1[NH2+]C/C=C/C[NH2+][C@H]1COCCC1(OC)OC ZINC001335067710 1267312181 /nfs/dbraw/zinc/31/21/81/1267312181.db2.gz OBRSCBZUCDEMPQ-AXHPFZFWSA-N 2 0 374.478 0.278 20 0 FCADRP Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001543224373 1267532932 /nfs/dbraw/zinc/53/29/32/1267532932.db2.gz AGLGLXLWRGBJTE-PKOBYXMFSA-N 2 0 362.522 0.965 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1ccc(F)cc1 ZINC001549031382 1267791655 /nfs/dbraw/zinc/79/16/55/1267791655.db2.gz SECJWKDADTZQOD-HOTGVXAUSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047563 1267795400 /nfs/dbraw/zinc/79/54/00/1267795400.db2.gz SYRDSQQKWRZACW-CABCVRRESA-N 2 0 358.450 0.335 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001549140506 1267821966 /nfs/dbraw/zinc/82/19/66/1267821966.db2.gz ZXGCILHBXLVKIT-RDJZCZTQSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1=O ZINC001549296709 1267893561 /nfs/dbraw/zinc/89/35/61/1267893561.db2.gz SPVNZKDJOWDAHZ-FGTMMUONSA-N 2 0 358.486 0.658 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)C1 ZINC001549897050 1268014228 /nfs/dbraw/zinc/01/42/28/1268014228.db2.gz BYRXHTNYOLJJPJ-UKBAYJJMSA-N 2 0 367.534 0.941 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001550005037 1268044395 /nfs/dbraw/zinc/04/43/95/1268044395.db2.gz RILDLUUTCKDQPO-FHWLQOOXSA-N 2 0 364.534 0.582 20 0 FCADRP [NH3+]C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1(F)F ZINC001550069313 1268069467 /nfs/dbraw/zinc/06/94/67/1268069467.db2.gz RLRKXDAFSWTGEL-ZOWXZIJZSA-N 2 0 368.432 0.365 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116796 1268079327 /nfs/dbraw/zinc/07/93/27/1268079327.db2.gz RVCDWJQJVUJLEP-IRXDYDNUSA-N 2 0 360.506 0.578 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)cc1 ZINC001550202241 1268090309 /nfs/dbraw/zinc/09/03/09/1268090309.db2.gz RRTBFTDYAQONFH-DOTOQJQBSA-N 2 0 370.457 0.916 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550204824 1268090802 /nfs/dbraw/zinc/09/08/02/1268090802.db2.gz SUOHPZPMGOBDSF-CVEARBPZSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550204830 1268090981 /nfs/dbraw/zinc/09/09/81/1268090981.db2.gz SUOHPZPMGOBDSF-HZPDHXFCSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476621 1268124413 /nfs/dbraw/zinc/12/44/13/1268124413.db2.gz ALGLFBORZGCHRT-HTCPCDBNSA-N 2 0 351.491 0.446 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001550478239 1268124734 /nfs/dbraw/zinc/12/47/34/1268124734.db2.gz MHWSUPYCDPQBCJ-ZMMAXQRCSA-N 2 0 363.506 0.654 20 0 FCADRP COCCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001339016639 1268149963 /nfs/dbraw/zinc/14/99/63/1268149963.db2.gz OSLQHHZXINFFMZ-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001550719437 1268154532 /nfs/dbraw/zinc/15/45/32/1268154532.db2.gz GSSJYUMZSOLNPW-JHNDHUHGSA-N 2 0 374.489 0.045 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C[C@H]2[NH3+])c1 ZINC001550732940 1268157578 /nfs/dbraw/zinc/15/75/78/1268157578.db2.gz VDIFEWPNTGGGCT-BRWVUGGUSA-N 2 0 354.458 0.743 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C[C@@H]2[NH3+])c1 ZINC001550732943 1268157882 /nfs/dbraw/zinc/15/78/82/1268157882.db2.gz VDIFEWPNTGGGCT-IXDOHACOSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+][C@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC12CCOCC2 ZINC001550754251 1268162827 /nfs/dbraw/zinc/16/28/27/1268162827.db2.gz JOZOLZDPJXQNLY-GJZGRUSLSA-N 2 0 352.479 0.294 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550757911 1268164095 /nfs/dbraw/zinc/16/40/95/1268164095.db2.gz CASYNULGUBQSBD-OWCLPIDISA-N 2 0 354.495 0.506 20 0 FCADRP CN(Cc1cccs1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550910696 1268182932 /nfs/dbraw/zinc/18/29/32/1268182932.db2.gz AIFUMXBMCFHKLM-CRAIPNDOSA-N 2 0 364.515 0.943 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001339230240 1268191273 /nfs/dbraw/zinc/19/12/73/1268191273.db2.gz IDDCSRAJSSKEGX-UHFFFAOYSA-N 2 0 362.474 0.915 20 0 FCADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551159372 1268209173 /nfs/dbraw/zinc/20/91/73/1268209173.db2.gz PSPDVSRFFCMUNN-KVZIAJEVSA-N 2 0 353.507 0.983 20 0 FCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@@H]2O)CC1 ZINC001551224144 1268215623 /nfs/dbraw/zinc/21/56/23/1268215623.db2.gz RTKYRGRXUWLQDA-DZKIICNBSA-N 2 0 351.495 0.436 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+]Cc2cnc3c(C(N)=O)cnn3c2)CC1 ZINC001551237567 1268217531 /nfs/dbraw/zinc/21/75/31/1268217531.db2.gz WDDFJEFFHJWVSF-UHFFFAOYSA-N 2 0 372.473 0.951 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275657 1268220611 /nfs/dbraw/zinc/22/06/11/1268220611.db2.gz WEFOULPGDYUCAR-GARNVTTQSA-N 2 0 354.495 0.384 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC001551499077 1268262442 /nfs/dbraw/zinc/26/24/42/1268262442.db2.gz WBUYZTSMUJVJOG-VUGNNNGISA-N 2 0 354.495 0.778 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001551553382 1268265613 /nfs/dbraw/zinc/26/56/13/1268265613.db2.gz GSUMQRVEFYDTFC-GFOCRRMGSA-N 2 0 365.522 0.792 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551558746 1268270304 /nfs/dbraw/zinc/27/03/04/1268270304.db2.gz ZRHPCLRRSNBUBE-GDBMZVCRSA-N 2 0 351.495 0.546 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001551579756 1268277305 /nfs/dbraw/zinc/27/73/05/1268277305.db2.gz PCLYYCGTXHXOAG-VDZJLULYSA-N 2 0 363.506 0.418 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551582039 1268278081 /nfs/dbraw/zinc/27/80/81/1268278081.db2.gz SUHGYCPBFRHSRS-ZVZYQTTQSA-N 2 0 365.522 0.759 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551582248 1268278385 /nfs/dbraw/zinc/27/83/85/1268278385.db2.gz UJFKNSVLNCPSLE-FUHWJXTLSA-N 2 0 365.522 0.664 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551588780 1268279408 /nfs/dbraw/zinc/27/94/08/1268279408.db2.gz GJJMOOTUWMVDGE-JHMUCCBASA-N 2 0 363.506 0.415 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551585358 1268279855 /nfs/dbraw/zinc/27/98/55/1268279855.db2.gz ATUZEOSQUKVIKA-GFOCRRMGSA-N 2 0 365.522 0.757 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551593789 1268280692 /nfs/dbraw/zinc/28/06/92/1268280692.db2.gz OKACHIJZOJZAQV-DOTOQJQBSA-N 2 0 351.495 0.370 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596450 1268281884 /nfs/dbraw/zinc/28/18/84/1268281884.db2.gz UASMDMQBCNVCFI-GRZALLJUSA-N 2 0 365.522 0.615 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596453 1268282076 /nfs/dbraw/zinc/28/20/76/1268282076.db2.gz UASMDMQBCNVCFI-KBEGMRNHSA-N 2 0 365.522 0.615 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551593940 1268282406 /nfs/dbraw/zinc/28/24/06/1268282406.db2.gz OOONCVXGBWSOFJ-HLLBOEOZSA-N 2 0 351.495 0.369 20 0 FCADRP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001339791627 1268331732 /nfs/dbraw/zinc/33/17/32/1268331732.db2.gz ZDSHIDPQHXETFA-OAHLLOKOSA-N 2 0 374.420 0.762 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001552013518 1268352923 /nfs/dbraw/zinc/35/29/23/1268352923.db2.gz SYKMQEDIJRSBJB-TVFCKZIOSA-N 2 0 366.506 0.744 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552109585 1268377050 /nfs/dbraw/zinc/37/70/50/1268377050.db2.gz VFBXBTQHMVNUIE-BRWVUGGUSA-N 2 0 354.495 0.384 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552154521 1268395530 /nfs/dbraw/zinc/39/55/30/1268395530.db2.gz JCBUXMYUJHSKOM-KZNAEPCWSA-N 2 0 350.507 0.145 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cnn1C ZINC001552161247 1268396419 /nfs/dbraw/zinc/39/64/19/1268396419.db2.gz LCUNFBNIWBORDC-IRXDYDNUSA-N 2 0 357.462 0.791 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)cnn1C ZINC001552163510 1268396753 /nfs/dbraw/zinc/39/67/53/1268396753.db2.gz GUBJUHUIRYOLGL-INDMIFKZSA-N 2 0 353.470 0.985 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCC([C@H]3OCC[C@H]3[NH3+])CC2)cnn1C ZINC001552164743 1268397820 /nfs/dbraw/zinc/39/78/20/1268397820.db2.gz ZTJHOUUYABCPLC-WNRNVDISSA-N 2 0 361.490 0.386 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168817 1268401159 /nfs/dbraw/zinc/40/11/59/1268401159.db2.gz WGOLUOLSSGLMAO-HZPDHXFCSA-N 2 0 361.494 0.053 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@@H]4COC5)n3)cn2)CC1 ZINC001552176903 1268402805 /nfs/dbraw/zinc/40/28/05/1268402805.db2.gz XNURRLXFJOZZKV-BEFAXECRSA-N 2 0 370.457 0.761 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cnn1C ZINC001552181601 1268404717 /nfs/dbraw/zinc/40/47/17/1268404717.db2.gz VBQDKXRBNLBMDS-XSLAGTTESA-N 2 0 361.490 0.089 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552202570 1268409425 /nfs/dbraw/zinc/40/94/25/1268409425.db2.gz KCCOHLKPUCBFKA-QUCCMNQESA-N 2 0 358.486 0.286 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552202569 1268409669 /nfs/dbraw/zinc/40/96/69/1268409669.db2.gz KCCOHLKPUCBFKA-AZUAARDMSA-N 2 0 358.486 0.286 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@@H]4C[NH+](C)C[C@H]4C3)ccc2[nH]c1=O ZINC001552264809 1268427170 /nfs/dbraw/zinc/42/71/70/1268427170.db2.gz JQSULYJIOSWSJW-GJZGRUSLSA-N 2 0 357.458 0.937 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434306 1268461756 /nfs/dbraw/zinc/46/17/56/1268461756.db2.gz IREWHUJSJPDYFA-HOTGVXAUSA-N 2 0 362.478 0.494 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001552435141 1268462033 /nfs/dbraw/zinc/46/20/33/1268462033.db2.gz FPMTZLZXRSJAHX-AWEZNQCLSA-N 2 0 364.494 0.367 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)cn1 ZINC001552650365 1268509315 /nfs/dbraw/zinc/50/93/15/1268509315.db2.gz BCXJJNQEMZKNBZ-GJZGRUSLSA-N 2 0 361.454 0.055 20 0 FCADRP CO[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@](C)(C[NH3+])C1 ZINC001552681214 1268519783 /nfs/dbraw/zinc/51/97/83/1268519783.db2.gz VMJJVJXMBFIAOH-ZBEGNZNMSA-N 2 0 372.420 0.719 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)CC1 ZINC001552771866 1268543377 /nfs/dbraw/zinc/54/33/77/1268543377.db2.gz VDIJNHIJYSLZQA-WBVHZDCISA-N 2 0 358.490 0.751 20 0 FCADRP CN(C)[C@H](CNC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1)c1ccco1 ZINC001552793266 1268548466 /nfs/dbraw/zinc/54/84/66/1268548466.db2.gz PPWJKRBCDAXFNW-ILXRZTDVSA-N 2 0 361.450 0.671 20 0 FCADRP O=C(CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC001552819857 1268555808 /nfs/dbraw/zinc/55/58/08/1268555808.db2.gz YRQKJOHDDWZRBW-CABCVRRESA-N 2 0 350.850 0.191 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC001552839922 1268558618 /nfs/dbraw/zinc/55/86/18/1268558618.db2.gz OFCDWEXPQJAEDH-JQWIXIFHSA-N 2 0 354.405 0.964 20 0 FCADRP CC[C@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552957511 1268568906 /nfs/dbraw/zinc/56/89/06/1268568906.db2.gz JVSKTQKDEPQMQG-CABCVRRESA-N 2 0 351.495 0.642 20 0 FCADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372570 1268639265 /nfs/dbraw/zinc/63/92/65/1268639265.db2.gz JBEYLOXEUFGHOM-ZSZQSSIHSA-N 2 0 354.458 0.986 20 0 FCADRP CN(C)C(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cc1 ZINC001553389350 1268642843 /nfs/dbraw/zinc/64/28/43/1268642843.db2.gz LDWOULWLYAGOHP-AUUYWEPGSA-N 2 0 360.458 0.633 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553500547 1268659307 /nfs/dbraw/zinc/65/93/07/1268659307.db2.gz DUCGHWVYCBWJTL-PMPSAXMXSA-N 2 0 352.479 0.211 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553528838 1268663741 /nfs/dbraw/zinc/66/37/41/1268663741.db2.gz VHWNOXYUWUFLRK-ZHALLVOQSA-N 2 0 365.522 0.224 20 0 FCADRP Cn1nnc2c1C[C@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC[NH2+]CC1)CC2 ZINC001553539092 1268665921 /nfs/dbraw/zinc/66/59/21/1268665921.db2.gz RSEDXRRVVZKULB-BMFZPTHFSA-N 2 0 373.505 0.283 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001553544488 1268666155 /nfs/dbraw/zinc/66/61/55/1268666155.db2.gz QNSLZHXGGBTURE-KCQAQPDRSA-N 2 0 365.457 0.018 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3[nH]cnc3C23CC[NH2+]CC3)c1 ZINC001340866500 1268686820 /nfs/dbraw/zinc/68/68/20/1268686820.db2.gz HFWWZYQSTZHCQY-INIZCTEOSA-N 2 0 369.469 0.952 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244083 1268884985 /nfs/dbraw/zinc/88/49/85/1268884985.db2.gz LNEAHALVTUESEB-KSSFIOAISA-N 2 0 372.469 0.922 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001556855029 1268900310 /nfs/dbraw/zinc/90/03/10/1268900310.db2.gz NZJUYZLSBGKYLC-GJZGRUSLSA-N 2 0 372.510 0.404 20 0 FCADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001341579057 1269093056 /nfs/dbraw/zinc/09/30/56/1269093056.db2.gz GSRXCTRQXZMFMF-INWMFGNUSA-N 2 0 360.462 0.754 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001341685906 1269151725 /nfs/dbraw/zinc/15/17/25/1269151725.db2.gz ZQQIJBJOQPLRFC-NVXWUHKLSA-N 2 0 359.474 0.226 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C34CC(C3)C[NH2+]4)c2)C1 ZINC001341696060 1269155756 /nfs/dbraw/zinc/15/57/56/1269155756.db2.gz JMWZNPJXQCSTJG-GNZRSQJKSA-N 2 0 356.470 0.752 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](CCCS(=O)(=O)N(C)C)CC2)CC1 ZINC001559919452 1269180917 /nfs/dbraw/zinc/18/09/17/1269180917.db2.gz JECFRDGQABLCBE-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(C)c(=O)c1 ZINC001563333068 1269381263 /nfs/dbraw/zinc/38/12/63/1269381263.db2.gz FPGIZKCXWZANBJ-HNNXBMFYSA-N 2 0 350.467 0.660 20 0 FCADRP CC[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)C1 ZINC001564725409 1269431475 /nfs/dbraw/zinc/43/14/75/1269431475.db2.gz KJXWQOLCLORKSH-XYTVBORESA-N 2 0 365.522 0.806 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001566048293 1269580843 /nfs/dbraw/zinc/58/08/43/1269580843.db2.gz IHNKLGVMNNUKIL-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001342939495 1269691345 /nfs/dbraw/zinc/69/13/45/1269691345.db2.gz IPQPNNFXEOOXKT-JFIYKMOQSA-N 2 0 368.522 0.399 20 0 FCADRP CCN(C)C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001567746334 1269705107 /nfs/dbraw/zinc/70/51/07/1269705107.db2.gz CHGYVXLGVDUHLH-NVXWUHKLSA-N 2 0 352.523 0.975 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001343060264 1269751174 /nfs/dbraw/zinc/75/11/74/1269751174.db2.gz UWDHROTVBHQBMT-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@]2(O)CCC[NH2+]C2)c1 ZINC001343407557 1269899923 /nfs/dbraw/zinc/89/99/23/1269899923.db2.gz FQZZBWJVPQRYGF-LJQANCHMSA-N 2 0 362.474 0.099 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001343439585 1269910579 /nfs/dbraw/zinc/91/05/79/1269910579.db2.gz RTVJBPFUWZKTQY-HXUWFJFHSA-N 2 0 361.486 0.764 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCCCn3ccnc3)n2)CC1 ZINC001344003517 1270072696 /nfs/dbraw/zinc/07/26/96/1270072696.db2.gz STJAWKGLDOQKIE-UHFFFAOYSA-N 2 0 373.461 0.881 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001580611469 1278568175 /nfs/dbraw/zinc/56/81/75/1278568175.db2.gz KQTLGHAWCPKXDT-INIZCTEOSA-N 2 0 352.479 0.404 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974646 1270967565 /nfs/dbraw/zinc/96/75/65/1270967565.db2.gz OMKIEUDKNAYZQF-BBRMVZONSA-N 2 0 372.477 0.530 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974651 1270967635 /nfs/dbraw/zinc/96/76/35/1270967635.db2.gz OMKIEUDKNAYZQF-CZUORRHYSA-N 2 0 372.477 0.530 20 0 FCADRP CC(C)[C@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977118 1270972104 /nfs/dbraw/zinc/97/21/04/1270972104.db2.gz KPTROSARXTWELJ-SEEARECTSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574251249 1271119561 /nfs/dbraw/zinc/11/95/61/1271119561.db2.gz ABKRELYPVZHGPO-UHFFFAOYSA-N 2 0 363.441 0.894 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001574251526 1271119691 /nfs/dbraw/zinc/11/96/91/1271119691.db2.gz GVKFEVGLFCDHSX-STQMWFEESA-N 2 0 358.450 0.425 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574255373 1271125674 /nfs/dbraw/zinc/12/56/74/1271125674.db2.gz PQDNAUAEFGXACK-INIZCTEOSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261032 1271134983 /nfs/dbraw/zinc/13/49/83/1271134983.db2.gz CWHWGZDOIBZPBG-OAHLLOKOSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574264384 1271141087 /nfs/dbraw/zinc/14/10/87/1271141087.db2.gz FWYITVRCZYUXNG-WKILWMFISA-N 2 0 357.462 0.944 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574264381 1271141626 /nfs/dbraw/zinc/14/16/26/1271141626.db2.gz FWYITVRCZYUXNG-IYBDPMFKSA-N 2 0 357.462 0.944 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289056 1271165724 /nfs/dbraw/zinc/16/57/24/1271165724.db2.gz VHPAIHUBHIIYFO-SWLSCSKDSA-N 2 0 358.450 0.473 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288578 1271165829 /nfs/dbraw/zinc/16/58/29/1271165829.db2.gz KUJYTFIBLYGKDK-XJKSGUPXSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574542905 1271324240 /nfs/dbraw/zinc/32/42/40/1271324240.db2.gz GHZJIJXAOPGSDP-STQMWFEESA-N 2 0 372.477 0.863 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598414 1271401431 /nfs/dbraw/zinc/40/14/31/1271401431.db2.gz QJKMWLZKIZYRDW-CZUORRHYSA-N 2 0 357.462 0.803 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574670960 1271472706 /nfs/dbraw/zinc/47/27/06/1271472706.db2.gz HIBCLIMTZFVIJW-WFASDCNBSA-N 2 0 360.466 0.577 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574672544 1271477153 /nfs/dbraw/zinc/47/71/53/1271477153.db2.gz WLOAOOSYHASPGX-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574853795 1271603718 /nfs/dbraw/zinc/60/37/18/1271603718.db2.gz SVVHYRBWNCLVIX-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574854634 1271607541 /nfs/dbraw/zinc/60/75/41/1271607541.db2.gz RPQGNFJLWLPQJD-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870926 1271622020 /nfs/dbraw/zinc/62/20/20/1271622020.db2.gz FHYKICNVBAWSLC-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575115958 1271729238 /nfs/dbraw/zinc/72/92/38/1271729238.db2.gz UAGTXRTWGWELCV-ZFWWWQNUSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]C3CC(CC[NH3+])C3)CC2=O)C1 ZINC001575170452 1271761648 /nfs/dbraw/zinc/76/16/48/1271761648.db2.gz RXXWSFPWLLKZFA-JXQTWKCFSA-N 2 0 352.479 0.924 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183400 1271773192 /nfs/dbraw/zinc/77/31/92/1271773192.db2.gz HZQWTWGFUNWYDI-YJBOKZPZSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575391181 1272037359 /nfs/dbraw/zinc/03/73/59/1272037359.db2.gz HBYFAROSWBTWTB-KGLIPLIRSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001575391185 1272038155 /nfs/dbraw/zinc/03/81/55/1272038155.db2.gz HEEXAWQISPENEG-KGLIPLIRSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575403179 1272054393 /nfs/dbraw/zinc/05/43/93/1272054393.db2.gz VLTQHIOGMMQWSX-ZIAGYGMSSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001575443242 1272114743 /nfs/dbraw/zinc/11/47/43/1272114743.db2.gz YDBHNTWPAVYBMC-KRWDZBQOSA-N 2 0 354.495 0.236 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C)([NH2+]Cc2cnn[nH]2)CC1 ZINC001575566527 1272203681 /nfs/dbraw/zinc/20/36/81/1272203681.db2.gz JORZOYWHRMLBEN-AWEZNQCLSA-N 2 0 350.467 0.244 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCn2cncn2)CC1 ZINC001575697956 1272317913 /nfs/dbraw/zinc/31/79/13/1272317913.db2.gz IOBMHTQNVWCCSM-GASCZTMLSA-N 2 0 359.482 0.305 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001575701726 1272319877 /nfs/dbraw/zinc/31/98/77/1272319877.db2.gz GPFDZBPHNUZSEX-KSSFIOAISA-N 2 0 372.473 0.886 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(C)(C)[NH3+] ZINC001575713173 1272354082 /nfs/dbraw/zinc/35/40/82/1272354082.db2.gz SQMNNDDVIICEBY-KBPBESRZSA-N 2 0 363.510 0.827 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH3+])CC1 ZINC001575998932 1272678127 /nfs/dbraw/zinc/67/81/27/1272678127.db2.gz SGMOGAWYOREKBC-GJZGRUSLSA-N 2 0 363.510 0.745 20 0 FCADRP C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001576017373 1272717647 /nfs/dbraw/zinc/71/76/47/1272717647.db2.gz SBWNLDROBRQHFI-QILLFSRXSA-N 2 0 363.481 0.898 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCC[NH+](C)C ZINC001576053725 1272786280 /nfs/dbraw/zinc/78/62/80/1272786280.db2.gz VJNGMMKGBYYPHS-STQMWFEESA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576115285 1272908716 /nfs/dbraw/zinc/90/87/16/1272908716.db2.gz OHQQHZOLNBWFSJ-BETUJISGSA-N 2 0 370.461 0.617 20 0 FCADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576246009 1273024709 /nfs/dbraw/zinc/02/47/09/1273024709.db2.gz KPQNVMPIIROMNO-SWLSCSKDSA-N 2 0 358.450 0.284 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254807 1273036042 /nfs/dbraw/zinc/03/60/42/1273036042.db2.gz FXQZXVGPQACMGD-DOMZBBRYSA-N 2 0 358.450 0.283 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254808 1273038281 /nfs/dbraw/zinc/03/82/81/1273038281.db2.gz FXQZXVGPQACMGD-SWLSCSKDSA-N 2 0 358.450 0.283 20 0 FCADRP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576481562 1273321658 /nfs/dbraw/zinc/32/16/58/1273321658.db2.gz CXAMFLGLTSXEFV-HNNXBMFYSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576485135 1273328926 /nfs/dbraw/zinc/32/89/26/1273328926.db2.gz YHNNMBKCQXGDLC-CVEARBPZSA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576491319 1273347137 /nfs/dbraw/zinc/34/71/37/1273347137.db2.gz XCLXWZTYGMCPOY-BBRMVZONSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576498598 1273358229 /nfs/dbraw/zinc/35/82/29/1273358229.db2.gz BPZUNNVMTYAXGW-HNNXBMFYSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC001576500157 1273363873 /nfs/dbraw/zinc/36/38/73/1273363873.db2.gz POTLLGOPDZUFNZ-OAHLLOKOSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576500567 1273365281 /nfs/dbraw/zinc/36/52/81/1273365281.db2.gz YNQNLCHBQAYZHQ-JSGCOSHPSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@@H](C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576501876 1273368620 /nfs/dbraw/zinc/36/86/20/1273368620.db2.gz ZINJEXUZWIYVDW-INIZCTEOSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@@H](C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576506387 1273374317 /nfs/dbraw/zinc/37/43/17/1273374317.db2.gz PHYMCCDDCDHJQE-AWEZNQCLSA-N 2 0 360.466 0.935 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576505714 1273374335 /nfs/dbraw/zinc/37/43/35/1273374335.db2.gz KPNIMHPEWOPOCX-JQWIXIFHSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576511984 1273387136 /nfs/dbraw/zinc/38/71/36/1273387136.db2.gz HVDBMVHWUWSCPI-LALPHHSUSA-N 2 0 358.450 0.331 20 0 FCADRP CC1([NH+]2CCC2)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)CC1 ZINC001576535008 1273421353 /nfs/dbraw/zinc/42/13/53/1273421353.db2.gz XHXRHYBJYQYUPA-QLFBSQMISA-N 2 0 355.504 0.096 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]Cc1cnn[nH]1 ZINC001576586066 1273466378 /nfs/dbraw/zinc/46/63/78/1273466378.db2.gz LTJSKPXYNQDEKK-NVXWUHKLSA-N 2 0 364.494 0.490 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC2(O)CC[NH2+]CC2)CC1 ZINC001576648025 1273506472 /nfs/dbraw/zinc/50/64/72/1273506472.db2.gz KXFXVDGHHZBVEN-IAGOWNOFSA-N 2 0 352.523 0.508 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576748215 1273619170 /nfs/dbraw/zinc/61/91/70/1273619170.db2.gz VGTYTVFBTKKFPU-GDBMZVCRSA-N 2 0 364.494 0.680 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCC[C@H]2CC[N@H+](CCc3cn[nH]n3)C2)cn1 ZINC001576750167 1273620703 /nfs/dbraw/zinc/62/07/03/1273620703.db2.gz NSDZHWDGERXOIG-HNNXBMFYSA-N 2 0 374.493 0.247 20 0 FCADRP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576776182 1273657688 /nfs/dbraw/zinc/65/76/88/1273657688.db2.gz HWHOXOPHUYWOBX-IUODEOHRSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794288 1273696745 /nfs/dbraw/zinc/69/67/45/1273696745.db2.gz DUELENXRHQOBGK-CVEARBPZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001576827945 1273753254 /nfs/dbraw/zinc/75/32/54/1273753254.db2.gz VGQLDVDYRYGQLC-OAHLLOKOSA-N 2 0 359.478 0.716 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCOCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001576833235 1273760500 /nfs/dbraw/zinc/76/05/00/1273760500.db2.gz RMCIKTKPAJHLKO-OWCLPIDISA-N 2 0 366.510 0.881 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852306 /nfs/dbraw/zinc/85/23/06/1273852306.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 0 368.485 0.883 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881773 /nfs/dbraw/zinc/88/17/73/1273881773.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 0 368.485 0.883 20 0 FCADRP CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH3+])CC[N@@H+]1CCOC ZINC001577296545 1274312373 /nfs/dbraw/zinc/31/23/73/1274312373.db2.gz QDXZWKNKVOCANR-KRWDZBQOSA-N 2 0 373.505 0.770 20 0 FCADRP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH3+])CC[N@@H+]1CCOC ZINC001577296546 1274313725 /nfs/dbraw/zinc/31/37/25/1274313725.db2.gz QDXZWKNKVOCANR-QGZVFWFLSA-N 2 0 373.505 0.770 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551771 1274491556 /nfs/dbraw/zinc/49/15/56/1274491556.db2.gz UXJVUCMIKOOBLA-KGLIPLIRSA-N 2 0 372.477 0.532 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550910 1274491919 /nfs/dbraw/zinc/49/19/19/1274491919.db2.gz OMICRKCZXHANQN-IUODEOHRSA-N 2 0 358.450 0.284 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554421 1274497253 /nfs/dbraw/zinc/49/72/53/1274497253.db2.gz RTWHVIPJCCAPFD-CQSZACIVSA-N 2 0 372.477 0.594 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577559220 1274503451 /nfs/dbraw/zinc/50/34/51/1274503451.db2.gz UJCPFRRHYKRRNQ-HNNXBMFYSA-N 2 0 374.493 0.968 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577562650 1274513412 /nfs/dbraw/zinc/51/34/12/1274513412.db2.gz DQEPZDPXBUPHLN-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CCC[N@H+](C)CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562845 1274514323 /nfs/dbraw/zinc/51/43/23/1274514323.db2.gz HCCGJFIYRVIPFW-WAYWQWQTSA-N 2 0 358.450 0.418 20 0 FCADRP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577633732 1274621685 /nfs/dbraw/zinc/62/16/85/1274621685.db2.gz IEKOZMXUQNCPDY-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577633735 1274622097 /nfs/dbraw/zinc/62/20/97/1274622097.db2.gz IEKOZMXUQNCPDY-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673907 1274707218 /nfs/dbraw/zinc/70/72/18/1274707218.db2.gz ZXVDOKPVFCTJJO-CJNGLKHVSA-N 2 0 372.477 0.783 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH2+]C)C1 ZINC001577681301 1274729455 /nfs/dbraw/zinc/72/94/55/1274729455.db2.gz QQLOEPADANCPDI-QLFBSQMISA-N 2 0 363.510 0.758 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001577684785 1274739401 /nfs/dbraw/zinc/73/94/01/1274739401.db2.gz KIFBJPQULPCQGI-OAHLLOKOSA-N 2 0 353.511 0.570 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC001577691088 1274751755 /nfs/dbraw/zinc/75/17/55/1274751755.db2.gz JNQRGMGFZUMGCI-QXSJWSMHSA-N 2 0 357.520 0.199 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@@H]1C ZINC001577760598 1274843750 /nfs/dbraw/zinc/84/37/50/1274843750.db2.gz YRHUUTWIPICRNE-KKUMJFAQSA-N 2 0 363.510 0.887 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001577763577 1274848141 /nfs/dbraw/zinc/84/81/41/1274848141.db2.gz FMAFDKLACIJTNN-HUUCEWRRSA-N 2 0 356.478 0.862 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852154 1274993069 /nfs/dbraw/zinc/99/30/69/1274993069.db2.gz KVZHEJYTKXNRQU-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577860405 1275021311 /nfs/dbraw/zinc/02/13/11/1275021311.db2.gz WRSJCWODKJHLOM-KBPBESRZSA-N 2 0 370.461 0.701 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577860255 1275022432 /nfs/dbraw/zinc/02/24/32/1275022432.db2.gz UVVSWOWKSROJBC-GOSISDBHSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577860208 1275023617 /nfs/dbraw/zinc/02/36/17/1275023617.db2.gz SYOHSUWEQKUKHF-OAHLLOKOSA-N 2 0 374.493 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862865 1275031062 /nfs/dbraw/zinc/03/10/62/1275031062.db2.gz LYHCPSLLTFJPIB-HIFRSBDPSA-N 2 0 372.477 0.722 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577863181 1275034464 /nfs/dbraw/zinc/03/44/64/1275034464.db2.gz SDXGDZCHLRRRME-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577867059 1275047115 /nfs/dbraw/zinc/04/71/15/1275047115.db2.gz SUSFEWJBJWIFTB-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577867148 1275049449 /nfs/dbraw/zinc/04/94/49/1275049449.db2.gz WAIAXVWPYDDKHP-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577869856 1275055383 /nfs/dbraw/zinc/05/53/83/1275055383.db2.gz ZRHDIBONIAYFNM-ZIAGYGMSSA-N 2 0 372.477 0.792 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869853 1275057315 /nfs/dbraw/zinc/05/73/15/1275057315.db2.gz ZNQJZMHCNWQIQJ-CYBMUJFWSA-N 2 0 358.450 0.607 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577872196 1275062390 /nfs/dbraw/zinc/06/23/90/1275062390.db2.gz WDYOIGQJZTWPGJ-IYBDPMFKSA-N 2 0 357.462 0.945 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577885840 1275090505 /nfs/dbraw/zinc/09/05/05/1275090505.db2.gz POLVVIXKMPSTPZ-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577902402 1275111992 /nfs/dbraw/zinc/11/19/92/1275111992.db2.gz DFAPJJHYXBBPCM-AAEUAGOBSA-N 2 0 364.429 0.280 20 0 FCADRP CCN(CCNC(=O)C12CC[NH+](CC1)C2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577934161 1275149299 /nfs/dbraw/zinc/14/92/99/1275149299.db2.gz PHTRFLPXTHZZQV-UHFFFAOYSA-N 2 0 356.434 0.300 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@H](C)C1 ZINC001578108082 1275411065 /nfs/dbraw/zinc/41/10/65/1275411065.db2.gz NVBJXFFNXJZZGJ-HZPDHXFCSA-N 2 0 353.507 0.744 20 0 FCADRP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH3+] ZINC001578142079 1275441610 /nfs/dbraw/zinc/44/16/10/1275441610.db2.gz KCAOGQGSABROGV-OAHLLOKOSA-N 2 0 352.483 0.322 20 0 FCADRP CCOCc1nnc(N2CC[NH2+]CC2)n1CCCC[NH+]1CCOCC1 ZINC001578142337 1275441958 /nfs/dbraw/zinc/44/19/58/1275441958.db2.gz SPKJHEHTJUICNU-UHFFFAOYSA-N 2 0 352.483 0.337 20 0 FCADRP CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001578206092 1275496151 /nfs/dbraw/zinc/49/61/51/1275496151.db2.gz AGPZGEJYWPAWQU-INIZCTEOSA-N 2 0 359.536 0.735 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578221177 1275519373 /nfs/dbraw/zinc/51/93/73/1275519373.db2.gz OEFNWJJLEORAHZ-HNNXBMFYSA-N 2 0 372.477 0.997 20 0 FCADRP CCc1nnc(N2CC[C@@H]([NH2+]C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001578314870 1275655286 /nfs/dbraw/zinc/65/52/86/1275655286.db2.gz FGGMVNDDUNEXCT-IAGOWNOFSA-N 2 0 363.554 0.912 20 0 FCADRP CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001578326642 1275672326 /nfs/dbraw/zinc/67/23/26/1275672326.db2.gz MQAFTOQOXYHQKO-OAHLLOKOSA-N 2 0 365.526 0.030 20 0 FCADRP Cn1cc(-c2nnc(N3CC[NH2+]CC3)n2C[C@H](c2ccco2)[NH+](C)C)cn1 ZINC001578409026 1275781794 /nfs/dbraw/zinc/78/17/94/1275781794.db2.gz SNNWIBOPOZVLGS-OAHLLOKOSA-N 2 0 370.461 0.984 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2CC3(C2)C[C@H]([NH3+])CCS3)CC1 ZINC001578412907 1275783909 /nfs/dbraw/zinc/78/39/09/1275783909.db2.gz CCUVXYJDGGYCGZ-XOYHFGRZSA-N 2 0 354.520 0.222 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC001578413204 1275784261 /nfs/dbraw/zinc/78/42/61/1275784261.db2.gz IQPRYQPQSMXAIU-UHFFFAOYSA-N 2 0 353.511 0.331 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446839 1275841576 /nfs/dbraw/zinc/84/15/76/1275841576.db2.gz HWMQXEOPGWTEMX-TYNCELHUSA-N 2 0 358.450 0.331 20 0 FCADRP CN(C[C@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578525970 1275960156 /nfs/dbraw/zinc/96/01/56/1275960156.db2.gz VQRCRWYKGQJOMZ-ZXFNITATSA-N 2 0 364.494 0.022 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529711 1275961832 /nfs/dbraw/zinc/96/18/32/1275961832.db2.gz YLQVBRYLCSUBQA-QLFBSQMISA-N 2 0 350.463 0.550 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529712 1275962432 /nfs/dbraw/zinc/96/24/32/1275962432.db2.gz YLQVBRYLCSUBQA-RBSFLKMASA-N 2 0 350.463 0.550 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@@H](c2ccccc2)C1 ZINC001578533723 1275964856 /nfs/dbraw/zinc/96/48/56/1275964856.db2.gz VARBOEQAHJZERC-SFHLNBCPSA-N 2 0 372.513 0.717 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])Cc3ccncc3)cn2)CC1 ZINC001578536958 1275966984 /nfs/dbraw/zinc/96/69/84/1275966984.db2.gz KWZXPNFHRWQCFB-KRWDZBQOSA-N 2 0 354.458 0.415 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001578609487 1276044708 /nfs/dbraw/zinc/04/47/08/1276044708.db2.gz UIQJUUZFHSMNIY-JKSUJKDBSA-N 2 0 373.505 0.918 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001578610754 1276046803 /nfs/dbraw/zinc/04/68/03/1276046803.db2.gz BNCAOTJSKSRMEW-NFAWXSAZSA-N 2 0 361.494 0.510 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@H]2CC23C[NH2+]C3)CCC[N@H+](Cc2ccccc2)C1 ZINC001578781999 1276264386 /nfs/dbraw/zinc/26/43/86/1276264386.db2.gz WKOYEYXJVUVSCJ-OXQOHEQNSA-N 2 0 357.454 0.920 20 0 FCADRP CO[C@@H]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936585 1276479005 /nfs/dbraw/zinc/47/90/05/1276479005.db2.gz WCXFPLTUPUVXHU-IAGOWNOFSA-N 2 0 359.474 0.313 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578974552 1276522474 /nfs/dbraw/zinc/52/24/74/1276522474.db2.gz OXNAEVDUUWZVKC-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578976412 1276528119 /nfs/dbraw/zinc/52/81/19/1276528119.db2.gz YTMCLWRZASJDAV-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP COC[C@@]1(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[NH2+]C1 ZINC001578976880 1276529837 /nfs/dbraw/zinc/52/98/37/1276529837.db2.gz LGFQUWHUPZQQDC-GOSISDBHSA-N 2 0 350.463 0.654 20 0 FCADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578976798 1276529932 /nfs/dbraw/zinc/52/99/32/1276529932.db2.gz FWHRHIILKDACLA-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CN(C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578977262 1276531387 /nfs/dbraw/zinc/53/13/87/1276531387.db2.gz KSCJJYGMAHTAFR-AWEZNQCLSA-N 2 0 372.477 0.888 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578977493 1276531765 /nfs/dbraw/zinc/53/17/65/1276531765.db2.gz RFBJXKFGPBELMP-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977854 1276533448 /nfs/dbraw/zinc/53/34/48/1276533448.db2.gz ATJUOQPRGQCXET-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578978049 1276533992 /nfs/dbraw/zinc/53/39/92/1276533992.db2.gz DCSWLRBYZNASHT-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001578977866 1276534579 /nfs/dbraw/zinc/53/45/79/1276534579.db2.gz AUUVFIIDKHLIKI-UHFFFAOYSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578978106 1276535599 /nfs/dbraw/zinc/53/55/99/1276535599.db2.gz DVCLMZRJYWFPMR-OLZOCXBDSA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578979173 1276539023 /nfs/dbraw/zinc/53/90/23/1276539023.db2.gz WTDSOCVDKKDDQT-SFHVURJKSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578980139 1276540487 /nfs/dbraw/zinc/54/04/87/1276540487.db2.gz BHFVWRBQNFJCHN-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578980517 1276540844 /nfs/dbraw/zinc/54/08/44/1276540844.db2.gz JNOAMMZYSSICPY-UHFFFAOYSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001578981267 1276542503 /nfs/dbraw/zinc/54/25/03/1276542503.db2.gz WGBJFOYWJRTFFM-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578981238 1276542549 /nfs/dbraw/zinc/54/25/49/1276542549.db2.gz VJWOZHYSGKATJT-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578983127 1276546966 /nfs/dbraw/zinc/54/69/66/1276546966.db2.gz CFXORGQRXQQSME-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578982709 1276547659 /nfs/dbraw/zinc/54/76/59/1276547659.db2.gz ZOKKEJNLWWTNER-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578985172 1276551512 /nfs/dbraw/zinc/55/15/12/1276551512.db2.gz DBMSDRCJFKLTPJ-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987661 1276556622 /nfs/dbraw/zinc/55/66/22/1276556622.db2.gz NASXFJFKBQILRQ-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578987885 1276559526 /nfs/dbraw/zinc/55/95/26/1276559526.db2.gz GOEQKOYXTKTGGV-HAQNSBGRSA-N 2 0 363.491 0.864 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cscc2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001578991776 1276565022 /nfs/dbraw/zinc/56/50/22/1276565022.db2.gz FPWFSIWBMAVXPH-VXGBXAGGSA-N 2 0 363.491 0.740 20 0 FCADRP COCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021694 1276598744 /nfs/dbraw/zinc/59/87/44/1276598744.db2.gz PRTRFDSGYNBFPW-INIZCTEOSA-N 2 0 373.505 0.640 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001579022507 1276600603 /nfs/dbraw/zinc/60/06/03/1276600603.db2.gz YAWUZKCGXZSZST-HOCLYGCPSA-N 2 0 359.478 0.702 20 0 FCADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579166290 1276917662 /nfs/dbraw/zinc/91/76/62/1276917662.db2.gz BYEKRSYODLVTMA-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168368 1276919964 /nfs/dbraw/zinc/91/99/64/1276919964.db2.gz GUKDJJRJIBIOFZ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCNC(=O)CC[NH+]1CCCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579177480 1276940555 /nfs/dbraw/zinc/94/05/55/1276940555.db2.gz NJRMNORJIPKUKT-UHFFFAOYSA-N 2 0 358.450 0.690 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579325892 1277147211 /nfs/dbraw/zinc/14/72/11/1277147211.db2.gz GFLCXHFDFGACDP-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327201 1277153015 /nfs/dbraw/zinc/15/30/15/1277153015.db2.gz QCQPCXKFFXEJNZ-SJORKVTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327516 1277155732 /nfs/dbraw/zinc/15/57/32/1277155732.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327923 1277156753 /nfs/dbraw/zinc/15/67/53/1277156753.db2.gz ZHAXXRRGPHBTDX-HZPDHXFCSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579329636 1277159963 /nfs/dbraw/zinc/15/99/63/1277159963.db2.gz SAJLZBUQSLRUHQ-RYUDHWBXSA-N 2 0 361.475 0.570 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331628 1277163013 /nfs/dbraw/zinc/16/30/13/1277163013.db2.gz DGHWAZNWCGJCTP-VXGBXAGGSA-N 2 0 361.475 0.570 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001579332260 1277166112 /nfs/dbraw/zinc/16/61/12/1277166112.db2.gz KPYWSFKHFQLVRI-AWEZNQCLSA-N 2 0 373.436 0.696 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579333625 1277169220 /nfs/dbraw/zinc/16/92/20/1277169220.db2.gz RMXKFVDWBUSXRP-OAHLLOKOSA-N 2 0 355.446 0.557 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334012 1277170366 /nfs/dbraw/zinc/17/03/66/1277170366.db2.gz BBLTYVVJPANWBM-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334009 1277171026 /nfs/dbraw/zinc/17/10/26/1277171026.db2.gz BBLTYVVJPANWBM-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334936 1277172978 /nfs/dbraw/zinc/17/29/78/1277172978.db2.gz JVAPRRDCQJKDQX-OGVSOVDVSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334796 1277173778 /nfs/dbraw/zinc/17/37/78/1277173778.db2.gz HBFSQZNWCUMTHA-MRXNPFEDSA-N 2 0 355.446 0.366 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334769 1277173895 /nfs/dbraw/zinc/17/38/95/1277173895.db2.gz ZYHIMTKVYKXDCH-IYXRBSQSSA-N 2 0 370.461 0.475 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335977 1277179244 /nfs/dbraw/zinc/17/92/44/1277179244.db2.gz XNPKCXWZGBNFTM-HOTGVXAUSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579339788 1277183588 /nfs/dbraw/zinc/18/35/88/1277183588.db2.gz MLAMCFPDQFPGCI-MQMHXKEQSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579339791 1277183639 /nfs/dbraw/zinc/18/36/39/1277183639.db2.gz MOFOWXYLSVTTLC-AEGPPILISA-N 2 0 373.436 0.694 20 0 FCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579340214 1277185661 /nfs/dbraw/zinc/18/56/61/1277185661.db2.gz QSVJXUYCSJFSDX-OAHLLOKOSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341467 1277189293 /nfs/dbraw/zinc/18/92/93/1277189293.db2.gz MSAKPZXILVNVDC-ZIAGYGMSSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579357587 1277225236 /nfs/dbraw/zinc/22/52/36/1277225236.db2.gz YZPRNOPZWNAUSK-HOTGVXAUSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001579358399 1277227281 /nfs/dbraw/zinc/22/72/81/1277227281.db2.gz CWZOTFYZTCCPJR-OAHLLOKOSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361719 1277238893 /nfs/dbraw/zinc/23/88/93/1277238893.db2.gz PSDCNIGSIXJXTH-TWMKSMIVSA-N 2 0 367.457 0.507 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361428 1277239418 /nfs/dbraw/zinc/23/94/18/1277239418.db2.gz KVNLVZZJJKFKGG-HZSPNIEDSA-N 2 0 370.461 0.617 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001579493239 1277407239 /nfs/dbraw/zinc/40/72/39/1277407239.db2.gz HZEOIZVVXZZBPB-KRXQYRFLSA-N 2 0 364.494 0.383 20 0 FCADRP Cc1nnc(N2CCN(c3cnccn3)CC2)n1CCC[N@H+](C)CCC[NH3+] ZINC001579910964 1277959040 /nfs/dbraw/zinc/95/90/40/1277959040.db2.gz YEWUJARWHNGDOP-UHFFFAOYSA-N 2 0 373.509 0.374 20 0 FCADRP Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001579910969 1277959236 /nfs/dbraw/zinc/95/92/36/1277959236.db2.gz YGPIQSUJJVSNSA-GOEBONIOSA-N 2 0 363.510 0.327 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC001580027553 1277994703 /nfs/dbraw/zinc/99/47/03/1277994703.db2.gz DNSNVYPBOARALL-IUODEOHRSA-N 2 0 373.461 0.564 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC001580028592 1277995844 /nfs/dbraw/zinc/99/58/44/1277995844.db2.gz REQSFXZDJPSPGT-ZDUSSCGKSA-N 2 0 373.461 0.565 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC001580258855 1278056663 /nfs/dbraw/zinc/05/66/63/1278056663.db2.gz ZWYUGYYIFJOFMK-HUUCEWRRSA-N 2 0 351.495 0.629 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580274110 1278066845 /nfs/dbraw/zinc/06/68/45/1278066845.db2.gz LALZGBIRCIWVNV-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP [NH3+]CC[C@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC001580284567 1278087673 /nfs/dbraw/zinc/08/76/73/1278087673.db2.gz JQBIRSDCLBMGDR-JOYOIKCWSA-N 2 0 350.200 0.624 20 0 FCADRP Cc1cc(N(C)CCNC(=O)CC2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949201 1279154881 /nfs/dbraw/zinc/15/48/81/1279154881.db2.gz SRXZNUJAKKIMPR-UHFFFAOYSA-N 2 0 372.477 0.854 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949102 1279155239 /nfs/dbraw/zinc/15/52/39/1279155239.db2.gz NSYPKEBKJNUZHI-OKILXGFUSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959880 1279163547 /nfs/dbraw/zinc/16/35/47/1279163547.db2.gz BGHHZXDLGSGPEZ-CYBMUJFWSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972964 1279172961 /nfs/dbraw/zinc/17/29/61/1279172961.db2.gz RLOKOGCNOOOSHJ-HIFRSBDPSA-N 2 0 372.477 0.994 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977842 1279178079 /nfs/dbraw/zinc/17/80/79/1279178079.db2.gz SYEVMAHKLIKEDP-KNCOVGOOSA-N 2 0 368.445 0.215 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988318 1279188517 /nfs/dbraw/zinc/18/85/17/1279188517.db2.gz IQPZOFYKGSKOTQ-OLZOCXBDSA-N 2 0 360.466 0.637 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991420 1279194282 /nfs/dbraw/zinc/19/42/82/1279194282.db2.gz OSEWUGLJGZKDGH-BBRMVZONSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992798 1279196253 /nfs/dbraw/zinc/19/62/53/1279196253.db2.gz AXLRLBOMJITDGO-HZPDHXFCSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992797 1279196738 /nfs/dbraw/zinc/19/67/38/1279196738.db2.gz AXLRLBOMJITDGO-HOTGVXAUSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994251 1279201732 /nfs/dbraw/zinc/20/17/32/1279201732.db2.gz SVBOZECQFWFBEQ-CZUORRHYSA-N 2 0 372.477 0.496 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994879 1279203855 /nfs/dbraw/zinc/20/38/55/1279203855.db2.gz SAQBIKZZCGVWDR-GFCCVEGCSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003673 1279221331 /nfs/dbraw/zinc/22/13/31/1279221331.db2.gz FGXSODPKLSIYJQ-CJNGLKHVSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004250 1279223440 /nfs/dbraw/zinc/22/34/40/1279223440.db2.gz OWQLZIPPXRMLAE-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008669 1279233121 /nfs/dbraw/zinc/23/31/21/1279233121.db2.gz NOLPTLBXEFFPMP-HNNXBMFYSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009998 1279236130 /nfs/dbraw/zinc/23/61/30/1279236130.db2.gz BHIUIRFLTIZKLK-MLGOLLRUSA-N 2 0 374.493 0.742 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010767 1279236285 /nfs/dbraw/zinc/23/62/85/1279236285.db2.gz VKVFKIDGXPXIKM-GFCCVEGCSA-N 2 0 360.466 0.496 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011761 1279238344 /nfs/dbraw/zinc/23/83/44/1279238344.db2.gz OFKWRPVPURMAJU-MGPQQGTHSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581017205 1279248474 /nfs/dbraw/zinc/24/84/74/1279248474.db2.gz VVAJQZMOPNLCFF-MRXNPFEDSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023990 1279255171 /nfs/dbraw/zinc/25/51/71/1279255171.db2.gz YMTJFUIEPRKURD-CQSZACIVSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030495 1279268453 /nfs/dbraw/zinc/26/84/53/1279268453.db2.gz BHSDUCJFSSBJAO-DOMZBBRYSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030766 1279268505 /nfs/dbraw/zinc/26/85/05/1279268505.db2.gz MQEQBUWQJHYHTA-DGCLKSJQSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038197 1279274491 /nfs/dbraw/zinc/27/44/91/1279274491.db2.gz GVOYCUJSURLFAU-BETUJISGSA-N 2 0 358.450 0.391 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001715230006 1287346483 /nfs/dbraw/zinc/34/64/83/1287346483.db2.gz LPWNVXCLEJQAAU-IACUBPJLSA-N 2 0 351.451 0.604 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001715201094 1287346525 /nfs/dbraw/zinc/34/65/25/1287346525.db2.gz CASUNFFPFADKAV-UMVBOHGHSA-N 2 0 367.494 0.128 20 0 FCADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716103410 1287372807 /nfs/dbraw/zinc/37/28/07/1287372807.db2.gz PIPBKTRDFXVXLH-OTWHNJEPSA-N 2 0 371.485 0.332 20 0 FCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603524678 1287402227 /nfs/dbraw/zinc/40/22/27/1287402227.db2.gz RFOHPQZWUOUWFO-GFCCVEGCSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530596 1287409313 /nfs/dbraw/zinc/40/93/13/1287409313.db2.gz MXFBPIGIXQYFKE-CYBMUJFWSA-N 2 0 372.477 0.580 20 0 FCADRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nn[nH]n1)Cn1ccnc1 ZINC001603552070 1287420656 /nfs/dbraw/zinc/42/06/56/1287420656.db2.gz PJXWDJWMOWJOOH-KBPBESRZSA-N 2 0 357.418 0.729 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1)C(N)=O ZINC001718034271 1287453728 /nfs/dbraw/zinc/45/37/28/1287453728.db2.gz GCHOHCVPPHNTKL-LALPHHSUSA-N 2 0 350.438 0.746 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582097545 1281052404 /nfs/dbraw/zinc/05/24/04/1281052404.db2.gz JDSZJEXPSQAKAI-CQSZACIVSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582098022 1281053456 /nfs/dbraw/zinc/05/34/56/1281053456.db2.gz YRMHSYDDPDSGMX-OAHLLOKOSA-N 2 0 355.446 0.653 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582311177 1281312802 /nfs/dbraw/zinc/31/28/02/1281312802.db2.gz HNJAUVQPCHHYKH-INIZCTEOSA-N 2 0 367.457 0.653 20 0 FCADRP O=C(NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)C12CC[NH+](CC1)C2 ZINC001582389950 1281450693 /nfs/dbraw/zinc/45/06/93/1281450693.db2.gz JAOIYJCTGLTVFC-UHFFFAOYSA-N 2 0 367.457 0.701 20 0 FCADRP O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582607704 1281798288 /nfs/dbraw/zinc/79/82/88/1281798288.db2.gz LHSJKZYESINOQJ-JOCQHMNTSA-N 2 0 368.445 0.086 20 0 FCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001631849939 1282123898 /nfs/dbraw/zinc/12/38/98/1282123898.db2.gz FKZYYCIGHFRMMX-HNNXBMFYSA-N 2 0 352.479 0.404 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001642835576 1283044034 /nfs/dbraw/zinc/04/40/34/1283044034.db2.gz CISQRIVZXRBYFP-SFHVURJKSA-N 2 0 358.486 0.952 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590733554 1283768442 /nfs/dbraw/zinc/76/84/42/1283768442.db2.gz UAEMMWVEKDGQBP-OAHLLOKOSA-N 2 0 358.450 0.395 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OC ZINC001683325606 1283942149 /nfs/dbraw/zinc/94/21/49/1283942149.db2.gz OXFBMQRGVZQJJS-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)C[C@@H]1CN(c2nc3ccccn3c2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001591021041 1284077748 /nfs/dbraw/zinc/07/77/48/1284077748.db2.gz ARKRLYQQMHMITK-ZIAGYGMSSA-N 2 0 369.477 0.690 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccncc2-c2nn[nH]n2)CC1 ZINC001591020695 1284078158 /nfs/dbraw/zinc/07/81/58/1284078158.db2.gz XVYLUIMUGXCPFS-UHFFFAOYSA-N 2 0 358.450 0.152 20 0 FCADRP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001591102134 1284172256 /nfs/dbraw/zinc/17/22/56/1284172256.db2.gz VJGSOHBBENXXPX-OAHLLOKOSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001591175260 1284262869 /nfs/dbraw/zinc/26/28/69/1284262869.db2.gz KNFCNAGSMYBMBL-UHFFFAOYSA-N 2 0 363.491 0.866 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175747 1284265309 /nfs/dbraw/zinc/26/53/09/1284265309.db2.gz UKIPCWLZWOVYEN-YPQKKHBXSA-N 2 0 355.446 0.580 20 0 FCADRP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001591175748 1284267330 /nfs/dbraw/zinc/26/73/30/1284267330.db2.gz UNIJKQRGKWOEDY-UHFFFAOYSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591184307 1284291388 /nfs/dbraw/zinc/29/13/88/1284291388.db2.gz JFKSBGTYGSYHHW-INIZCTEOSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591186272 1284294297 /nfs/dbraw/zinc/29/42/97/1284294297.db2.gz OZIDRZSYMJNXLF-MRXNPFEDSA-N 2 0 357.462 0.947 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591187621 1284302639 /nfs/dbraw/zinc/30/26/39/1284302639.db2.gz FZPJZSNCPOKBHW-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591216656 1284352054 /nfs/dbraw/zinc/35/20/54/1284352054.db2.gz VMMGORKLALMUBF-CQSZACIVSA-N 2 0 372.477 0.692 20 0 FCADRP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591217150 1284354677 /nfs/dbraw/zinc/35/46/77/1284354677.db2.gz XLWPWPMPHQOOOC-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604680790 1287726470 /nfs/dbraw/zinc/72/64/70/1287726470.db2.gz PFSQVKGRORCDML-UHFFFAOYSA-N 2 0 370.461 0.427 20 0 FCADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604680668 1287726824 /nfs/dbraw/zinc/72/68/24/1287726824.db2.gz PTIZDIBUEWYORP-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604681386 1287728471 /nfs/dbraw/zinc/72/84/71/1287728471.db2.gz XFCLHWGHNZRBMP-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001604681381 1287730127 /nfs/dbraw/zinc/73/01/27/1287730127.db2.gz ZYKIVODXVMLGPJ-CYBMUJFWSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001719104964 1287739708 /nfs/dbraw/zinc/73/97/08/1287739708.db2.gz WHPXEOFLRCLUKG-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592040167 1285082548 /nfs/dbraw/zinc/08/25/48/1285082548.db2.gz JDYJSPJXBNIRLY-HNNXBMFYSA-N 2 0 356.434 0.099 20 0 FCADRP Cc1cc(NC[C@@H]2CC[N@H+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[NH+]2C)[nH+]1 ZINC001592044830 1285085645 /nfs/dbraw/zinc/08/56/45/1285085645.db2.gz JQMADCOBVZYEPG-STQMWFEESA-N 3 0 357.466 0.802 20 0 FCADRP Cc1cc(NCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049193 1285094521 /nfs/dbraw/zinc/09/45/21/1285094521.db2.gz KGMQOLSDXWJLAC-CZUORRHYSA-N 2 0 370.461 0.537 20 0 FCADRP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001592739942 1285657594 /nfs/dbraw/zinc/65/75/94/1285657594.db2.gz HDHSRIKURONVAO-INIZCTEOSA-N 2 0 367.457 0.995 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001702427450 1285671605 /nfs/dbraw/zinc/67/16/05/1285671605.db2.gz RPOILRSEVXUNCO-NUJGCVRESA-N 2 0 352.523 0.974 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)N1CC[NH2+]CC1 ZINC001592784097 1285707455 /nfs/dbraw/zinc/70/74/55/1285707455.db2.gz UKSJUFQJEXKMIJ-HNNXBMFYSA-N 2 0 355.446 0.511 20 0 FCADRP O=C(NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001593073011 1285967185 /nfs/dbraw/zinc/96/71/85/1285967185.db2.gz IGRVDDBBMRCDCY-KRWDZBQOSA-N 2 0 369.473 0.804 20 0 FCADRP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001593075798 1285972096 /nfs/dbraw/zinc/97/20/96/1285972096.db2.gz DRFHAMQFXXUBMA-BBRMVZONSA-N 2 0 370.461 0.619 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609285037 1289048069 /nfs/dbraw/zinc/04/80/69/1289048069.db2.gz WCRJJDVFPBYPPX-MRXNPFEDSA-N 2 0 359.478 0.516 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284582 1289049152 /nfs/dbraw/zinc/04/91/52/1289049152.db2.gz UXILANTZKMGYKJ-GOEBONIOSA-N 2 0 360.462 0.928 20 0 FCADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504092 1286182924 /nfs/dbraw/zinc/18/29/24/1286182924.db2.gz FUUZMAWTJIIISA-RRFJBIMHSA-N 2 0 358.446 0.823 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001593512335 1286190014 /nfs/dbraw/zinc/19/00/14/1286190014.db2.gz UVJYHFMWUWQQRH-CVEARBPZSA-N 2 0 372.473 0.928 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC001604866140 1287804133 /nfs/dbraw/zinc/80/41/33/1287804133.db2.gz ZCADEHIJZROAIN-UHFFFAOYSA-N 2 0 371.489 0.957 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001719282772 1288021287 /nfs/dbraw/zinc/02/12/87/1288021287.db2.gz GIFZFVBNPTWAHV-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)NCC[NH+]1CCCCC1 ZINC001606554417 1288382776 /nfs/dbraw/zinc/38/27/76/1288382776.db2.gz LFNKVJDDPDXMBO-INIZCTEOSA-N 2 0 373.461 0.092 20 0 FCADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001606882577 1288546547 /nfs/dbraw/zinc/54/65/47/1288546547.db2.gz OXDDVJZHEQUBFS-GASCZTMLSA-N 2 0 367.457 0.699 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)C3CC3)CCCC2)CC[N@@H+]1C ZINC001732392018 1288582588 /nfs/dbraw/zinc/58/25/88/1288582588.db2.gz BKBRTLQWPRYXGB-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(C3CC3)C3CC3)CC2)CC[N@@H+]1C ZINC001733244916 1288604673 /nfs/dbraw/zinc/60/46/73/1288604673.db2.gz CHXUFCJZKAPACG-CZUORRHYSA-N 2 0 362.518 0.870 20 0 FCADRP c1cc(-c2nn[nH]n2)cc(C2([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCOCC2)c1 ZINC001607113873 1288667630 /nfs/dbraw/zinc/66/76/30/1288667630.db2.gz XXIJFGNLNWGIFF-MRXNPFEDSA-N 2 0 370.457 0.841 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCCc2cc(-c3nn[nH]n3)ccc21)N1CC[NH2+]CC1 ZINC001609527489 1289197203 /nfs/dbraw/zinc/19/72/03/1289197203.db2.gz DPQYJHMMBBXQHO-MRXNPFEDSA-N 2 0 355.446 0.656 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001691897717 1289336716 /nfs/dbraw/zinc/33/67/16/1289336716.db2.gz XRKRJZYQTCQSNT-SOUVJXGZSA-N 2 0 370.457 0.890 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691947385 1289348001 /nfs/dbraw/zinc/34/80/01/1289348001.db2.gz BIVBESRZKJGRMJ-GVDBMIGSSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCC[NH2+][C@H]1CCNC1=O ZINC001692126396 1289402780 /nfs/dbraw/zinc/40/27/80/1289402780.db2.gz YFYZXFDASXHABA-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001737454601 1289550636 /nfs/dbraw/zinc/55/06/36/1289550636.db2.gz RWEQCIDDOVOKEX-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001700196538 1289585279 /nfs/dbraw/zinc/58/52/79/1289585279.db2.gz ZEJGBLGOPMXHDD-UKRRQHHQSA-N 2 0 367.494 0.095 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(=O)N3CCC(O)CC3)C2)CC1 ZINC001616890442 1289798015 /nfs/dbraw/zinc/79/80/15/1289798015.db2.gz NLISNMAULYIVRO-OAHLLOKOSA-N 2 0 366.506 0.035 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001739235972 1289823803 /nfs/dbraw/zinc/82/38/03/1289823803.db2.gz FAJPSHVAZGFRGL-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001702362230 1290131973 /nfs/dbraw/zinc/13/19/73/1290131973.db2.gz JYSBBGUOPJHWKH-OAGGEKHMSA-N 2 0 368.522 0.279 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C[C@@H]1O ZINC001739663081 1290327365 /nfs/dbraw/zinc/32/73/65/1290327365.db2.gz CUNKEPQUKFHJGN-ZACQAIPSSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001627324490 1290456204 /nfs/dbraw/zinc/45/62/04/1290456204.db2.gz WFLCTVAEFUFCBO-UHFFFAOYSA-N 2 0 367.494 0.790 20 0 FCADRP C[N@H+](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525486 1290673826 /nfs/dbraw/zinc/67/38/26/1290673826.db2.gz QMMTZGXNHZYSKN-XMTFNYHQSA-N 2 0 353.507 0.716 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661886 1291289141 /nfs/dbraw/zinc/28/91/41/1291289141.db2.gz CSFQHSKEJXATCX-HZPDHXFCSA-N 2 0 355.479 0.583 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661885 1291289788 /nfs/dbraw/zinc/28/97/88/1291289788.db2.gz CSFQHSKEJXATCX-HOTGVXAUSA-N 2 0 355.479 0.583 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1noc(C)n1 ZINC001653953069 1291384506 /nfs/dbraw/zinc/38/45/06/1291384506.db2.gz AQCWPKHXVJIZPH-AWEZNQCLSA-N 2 0 359.496 0.556 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1noc(C)n1 ZINC001653953078 1291385036 /nfs/dbraw/zinc/38/50/36/1291385036.db2.gz AQCWPKHXVJIZPH-CQSZACIVSA-N 2 0 359.496 0.556 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001656588188 1291550468 /nfs/dbraw/zinc/55/04/68/1291550468.db2.gz JQZMNJMJFOBZIT-CABCVRRESA-N 2 0 366.510 0.557 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001661354421 1291690256 /nfs/dbraw/zinc/69/02/56/1291690256.db2.gz SSAZRENGIYJTLX-HNNXBMFYSA-N 2 0 350.511 0.291 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)N(C)C ZINC001666621231 1291914959 /nfs/dbraw/zinc/91/49/59/1291914959.db2.gz XCRSYNSCFHRTRW-JQHSSLGASA-N 2 0 360.502 0.762 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601277 1292311018 /nfs/dbraw/zinc/31/10/18/1292311018.db2.gz KOVDAKJQWIMVBQ-JKSUJKDBSA-N 2 0 354.495 0.650 20 0 FCADRP 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 ZINC001688903456 1294548412 /nfs/dbraw/zinc/54/84/12/1294548412.db2.gz IXVKVEGFUNGCSX-VFPIZLKKSA-N 2 0 350.507 0.726 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001688984904 1294559336 /nfs/dbraw/zinc/55/93/36/1294559336.db2.gz MKXNUILCURHPPJ-MELADBBJSA-N 2 0 367.494 0.189 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001688985174 1294560365 /nfs/dbraw/zinc/56/03/65/1294560365.db2.gz UEKULDZVPNGGCT-LSDHHAIUSA-N 2 0 351.495 0.370 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001689075959 1294596249 /nfs/dbraw/zinc/59/62/49/1294596249.db2.gz HQXCTFOAOARGLM-LZLYRXPVSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C ZINC001689084572 1294604215 /nfs/dbraw/zinc/60/42/15/1294604215.db2.gz CJNWOOROLAWGBQ-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001689099949 1294616939 /nfs/dbraw/zinc/61/69/39/1294616939.db2.gz LFXZOTYWOPYJHN-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001689131935 1294621814 /nfs/dbraw/zinc/62/18/14/1294621814.db2.gz YLPXYWBDTIGCHR-BZUAXINKSA-N 2 0 366.506 0.740 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001689222096 1294678476 /nfs/dbraw/zinc/67/84/76/1294678476.db2.gz BFRMZOBVBUUMDR-IKGGRYGDSA-N 2 0 368.497 0.679 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224318 1294682394 /nfs/dbraw/zinc/68/23/94/1294682394.db2.gz HOYQVIJVWVQHMD-IKGGRYGDSA-N 2 0 371.547 0.686 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001690337902 1294864103 /nfs/dbraw/zinc/86/41/03/1294864103.db2.gz DOCIUNDEXADXFM-NJMOYASZSA-N 2 0 364.412 0.630 20 0 FCADRP c1ncc(O[C@@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@@H+]3C2)cn1 ZINC001164740904 720806841 /nfs/dbraw/zinc/80/68/41/720806841.db2.gz AWIGVWWUTGURBK-LSDHHAIUSA-N 2 0 353.430 0.295 20 0 FCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164847053 720832820 /nfs/dbraw/zinc/83/28/20/720832820.db2.gz HVXJAKHUYZJNGU-YJBOKZPZSA-N 2 0 361.490 0.338 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@@H]3C2)cn1 ZINC001164767980 721249455 /nfs/dbraw/zinc/24/94/55/721249455.db2.gz XIROHAVXLXSWKK-WBVHZDCISA-N 2 0 353.474 0.855 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883618 721400218 /nfs/dbraw/zinc/40/02/18/721400218.db2.gz BGAJPIIEHGNGMQ-MJGOQNOKSA-N 2 0 360.506 0.701 20 0 FCADRP Cc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(C[NH3+])c1 ZINC001164798368 721517369 /nfs/dbraw/zinc/51/73/69/721517369.db2.gz SJGLQOUIRWAZDJ-UHFFFAOYSA-N 2 0 355.490 0.813 20 0 FCADRP O=C(c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)N1CC[NH2+]CC1 ZINC001164966912 722073764 /nfs/dbraw/zinc/07/37/64/722073764.db2.gz GZGGKJVUCOPCGI-CALCHBBNSA-N 2 0 371.485 0.426 20 0 FCADRP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164966582 722073978 /nfs/dbraw/zinc/07/39/78/722073978.db2.gz CHDGLVRMORBOIM-CALCHBBNSA-N 2 0 358.490 0.704 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1CC[NH2+]C3)CCC2 ZINC001165001006 722251842 /nfs/dbraw/zinc/25/18/42/722251842.db2.gz YCQDZOCJUPKHBO-UHFFFAOYSA-N 2 0 371.489 0.807 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070382632 837651134 /nfs/dbraw/zinc/65/11/34/837651134.db2.gz JUGGZOKYUCLYIV-INMHGKMJSA-N 2 0 354.470 0.383 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CC1 ZINC001072746603 837743903 /nfs/dbraw/zinc/74/39/03/837743903.db2.gz WMEOJMQYFLLXPH-SJORKVTESA-N 2 0 351.491 0.260 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001099341478 844033889 /nfs/dbraw/zinc/03/38/89/844033889.db2.gz FLYHXFWCVDAONG-YNEHKIRRSA-N 2 0 360.384 0.209 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243698 844117095 /nfs/dbraw/zinc/11/70/95/844117095.db2.gz ZLWIXCNKGXKSMZ-NTDBWNAOSA-N 2 0 353.507 0.506 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257010 844122315 /nfs/dbraw/zinc/12/23/15/844122315.db2.gz CQCITNVSVXQDMY-RYRKJORJSA-N 2 0 359.486 0.456 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257455 844122361 /nfs/dbraw/zinc/12/23/61/844122361.db2.gz VEMSBZUUAHZROA-RKVPGOIHSA-N 2 0 356.486 0.583 20 0 FCADRP CS(=O)(=O)N1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000701603941 836099940 /nfs/dbraw/zinc/09/99/40/836099940.db2.gz DXVVBMCGMPMOOA-KRWDZBQOSA-N 2 0 367.515 0.637 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101283954 844134336 /nfs/dbraw/zinc/13/43/36/844134336.db2.gz FRIFDCDQHKTAET-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101290572 844137254 /nfs/dbraw/zinc/13/72/54/844137254.db2.gz ZCVMQAIVUHCVRA-AEFFLSMTSA-N 2 0 351.491 0.404 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342713 844152267 /nfs/dbraw/zinc/15/22/67/844152267.db2.gz JJCJZQUAUVUAES-QAPCUYQASA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351312 844155152 /nfs/dbraw/zinc/15/51/52/844155152.db2.gz CMBJCKYCJWKFHY-UXLLHSPISA-N 2 0 357.520 0.153 20 0 FCADRP C[C@@H](C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101352329 844156421 /nfs/dbraw/zinc/15/64/21/844156421.db2.gz AKGLMBDVSZRCAX-UXLLHSPISA-N 2 0 359.536 0.399 20 0 FCADRP C[C@H](COCC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369856 844163330 /nfs/dbraw/zinc/16/33/30/844163330.db2.gz QUONINOPXLXMRL-LMMKCTJWSA-N 2 0 353.507 0.650 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038148 836461039 /nfs/dbraw/zinc/46/10/39/836461039.db2.gz IYZHPGRUAHPHTC-HZPDHXFCSA-N 2 0 369.579 0.878 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804986858 836497646 /nfs/dbraw/zinc/49/76/46/836497646.db2.gz STISZZWUWZNKOX-UHFFFAOYSA-N 2 0 352.863 0.988 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)C1=O ZINC001101400306 844174674 /nfs/dbraw/zinc/17/46/74/844174674.db2.gz QHJFWTVMRNXWIU-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418506 844179947 /nfs/dbraw/zinc/17/99/47/844179947.db2.gz VNPAPDWGSYZLGU-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCOCC(F)F)C[C@@]2(C)C1 ZINC001101432112 844184224 /nfs/dbraw/zinc/18/42/24/844184224.db2.gz BHHGSZVLILUYJC-PBHICJAKSA-N 2 0 363.449 0.627 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101437027 844185520 /nfs/dbraw/zinc/18/55/20/844185520.db2.gz ZCWUGXQGXAYCRQ-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441209 844187065 /nfs/dbraw/zinc/18/70/65/844187065.db2.gz NTTWBHYXVRNEFX-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)CC[N@@H+]1C ZINC001061021998 836678987 /nfs/dbraw/zinc/67/89/87/836678987.db2.gz CAXMOEAGWWFCGX-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061620633 836700374 /nfs/dbraw/zinc/70/03/74/836700374.db2.gz DKLPUJXAYKONPH-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461720 844192788 /nfs/dbraw/zinc/19/27/88/844192788.db2.gz QLDYDRIRCLXJNC-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063099823 836750321 /nfs/dbraw/zinc/75/03/21/836750321.db2.gz BJSWYHUSBNBXJP-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[NH+](C)C3CCC3)CCC2)CC[N@@H+]1C ZINC001063401994 836765956 /nfs/dbraw/zinc/76/59/56/836765956.db2.gz IZCRWSQEKSTRGF-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3CC[NH+](C)CC3)CCC2)CC[N@@H+]1C ZINC001063518195 836774259 /nfs/dbraw/zinc/77/42/59/836774259.db2.gz ARXDEPAFBMANQW-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476181 844199809 /nfs/dbraw/zinc/19/98/09/844199809.db2.gz HCASSYDOVZHONV-CLCXKQKWSA-N 2 0 350.507 0.774 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207035 836822341 /nfs/dbraw/zinc/82/23/41/836822341.db2.gz OOEBPCIPFBNYGT-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001075943326 837930504 /nfs/dbraw/zinc/93/05/04/837930504.db2.gz LGSHQEGOMRATCV-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1)C1CC1 ZINC001101815769 844279497 /nfs/dbraw/zinc/27/94/97/844279497.db2.gz RUVXKEVEBSPRPE-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219795 838821952 /nfs/dbraw/zinc/82/19/52/838821952.db2.gz YQPZXLPDRRPMDT-BRWVUGGUSA-N 2 0 351.491 0.450 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015890 844374817 /nfs/dbraw/zinc/37/48/17/844374817.db2.gz URYWWTRKVNUFLE-BZUAXINKSA-N 2 0 358.502 0.829 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001102015710 844375557 /nfs/dbraw/zinc/37/55/57/844375557.db2.gz ORWWPWAGQPWZGM-IIAWOOMASA-N 2 0 354.474 0.679 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299465 838887046 /nfs/dbraw/zinc/88/70/46/838887046.db2.gz CORBAFRWSOJHOH-GVDBMIGSSA-N 2 0 351.491 0.735 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102045161 844395007 /nfs/dbraw/zinc/39/50/07/844395007.db2.gz USPNYGFTNFDYJK-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001077618750 839072332 /nfs/dbraw/zinc/07/23/32/839072332.db2.gz RVDLJDHNKNHVJS-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048724 844396360 /nfs/dbraw/zinc/39/63/60/844396360.db2.gz MQSXVFQSJUNAQE-QGPMSJSTSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051627 844397754 /nfs/dbraw/zinc/39/77/54/844397754.db2.gz BFBCAGNOSGLYRA-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102103239 844415063 /nfs/dbraw/zinc/41/50/63/844415063.db2.gz KIQPYSBPHDGURZ-CHWSQXEVSA-N 2 0 352.483 0.023 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102101310 844415461 /nfs/dbraw/zinc/41/54/61/844415461.db2.gz XJTYIVVTWBQQKQ-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171461 844434063 /nfs/dbraw/zinc/43/40/63/844434063.db2.gz YXIVGCIUKLOWJB-LDBBTLTOSA-N 2 0 351.491 0.570 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273788 839504859 /nfs/dbraw/zinc/50/48/59/839504859.db2.gz QIFGVYSBVONPJC-YESZJQIVSA-N 2 0 351.491 0.524 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288800 844458693 /nfs/dbraw/zinc/45/86/93/844458693.db2.gz WBXBKNSVCAOGOD-HZPDHXFCSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287300 844458766 /nfs/dbraw/zinc/45/87/66/844458766.db2.gz XFWNETOHWDBWGM-GDBMZVCRSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254795 839692018 /nfs/dbraw/zinc/69/20/18/839692018.db2.gz GUMGYPGTUBGLPJ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312986 844464557 /nfs/dbraw/zinc/46/45/57/844464557.db2.gz XWQNHNDBMYMFTH-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080789045 839800893 /nfs/dbraw/zinc/80/08/93/839800893.db2.gz OHFVLKKCSMRKQP-UKRRQHHQSA-N 2 0 364.515 0.751 20 0 FCADRP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959834 840123941 /nfs/dbraw/zinc/12/39/41/840123941.db2.gz ZSDQBWIPAUXSGY-RVKOJVRFSA-N 2 0 351.491 0.711 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102475241 844516205 /nfs/dbraw/zinc/51/62/05/844516205.db2.gz FRMKYDIELXPXAI-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479731 844518766 /nfs/dbraw/zinc/51/87/66/844518766.db2.gz DXZNFZXBFRBHHC-BRWVUGGUSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102487008 844523917 /nfs/dbraw/zinc/52/39/17/844523917.db2.gz GNZWZPQJDVUCJQ-IXDOHACOSA-N 2 0 353.507 0.818 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CCC1 ZINC001082329066 840313255 /nfs/dbraw/zinc/31/32/55/840313255.db2.gz ZJZKSRLHSFSEHU-BRWVUGGUSA-N 2 0 351.491 0.713 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328805 840313335 /nfs/dbraw/zinc/31/33/35/840313335.db2.gz MMASCRNIPSFOOZ-BZUAXINKSA-N 2 0 351.491 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102497480 844530411 /nfs/dbraw/zinc/53/04/11/844530411.db2.gz VETOVRXUUDOROP-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497488 844530825 /nfs/dbraw/zinc/53/08/25/844530825.db2.gz VIBWUFSKLGQSFK-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497419 844531091 /nfs/dbraw/zinc/53/10/91/844531091.db2.gz RXVKBIAHEDAENV-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082517733 840446878 /nfs/dbraw/zinc/44/68/78/840446878.db2.gz BVYCGZGSJNVNKR-IUODEOHRSA-N 2 0 363.491 0.547 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513755 844544622 /nfs/dbraw/zinc/54/46/22/844544622.db2.gz AEVXYDFYPJBXTJ-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513870 844544810 /nfs/dbraw/zinc/54/48/10/844544810.db2.gz DSYRIHMWUJYRHL-HYVNUMGLSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741744 840542661 /nfs/dbraw/zinc/54/26/61/840542661.db2.gz AHHUIVZCZCEIKJ-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741110 840543511 /nfs/dbraw/zinc/54/35/11/840543511.db2.gz PWBOJZVJFLMCTC-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082743710 840544323 /nfs/dbraw/zinc/54/43/23/840544323.db2.gz WVUFFQHIQBJCNC-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082783634 840558818 /nfs/dbraw/zinc/55/88/18/840558818.db2.gz FXKSTPYJYBHICJ-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524668 844551429 /nfs/dbraw/zinc/55/14/29/844551429.db2.gz QCYKPRNZELXYPW-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102525137 844553073 /nfs/dbraw/zinc/55/30/73/844553073.db2.gz MPOPKBSBUKAQLD-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863707 840588265 /nfs/dbraw/zinc/58/82/65/840588265.db2.gz UGRBBWWTZKSDJE-UKRRQHHQSA-N 2 0 364.515 0.751 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106602 840715457 /nfs/dbraw/zinc/71/54/57/840715457.db2.gz LWKOXRVFBCITHZ-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578385 844572796 /nfs/dbraw/zinc/57/27/96/844572796.db2.gz ZNSNEMGWCKLTFZ-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578145 844573598 /nfs/dbraw/zinc/57/35/98/844573598.db2.gz NRYBXFXGOHWZLA-OWCLPIDISA-N 2 0 352.523 0.785 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102600067 844591146 /nfs/dbraw/zinc/59/11/46/844591146.db2.gz KNDSRARNGXJPJP-ZACQAIPSSA-N 2 0 351.495 0.268 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466448 841038106 /nfs/dbraw/zinc/03/81/06/841038106.db2.gz VAUUNLNARWKCJP-OAGGEKHMSA-N 2 0 364.515 0.497 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563417 841172990 /nfs/dbraw/zinc/17/29/90/841172990.db2.gz OISKGEKAEUXAOV-SJORKVTESA-N 2 0 351.491 0.450 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563310 841173084 /nfs/dbraw/zinc/17/30/84/841173084.db2.gz JBJXEDPCUHXOIW-BBWFWOEESA-N 2 0 351.491 0.593 20 0 FCADRP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654827 841280959 /nfs/dbraw/zinc/28/09/59/841280959.db2.gz IOWCNNMLFGTGBR-ASLPWWTFSA-N 2 0 351.491 0.447 20 0 FCADRP Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001275799913 861195796 /nfs/dbraw/zinc/19/57/96/861195796.db2.gz PKWLFIZMKKWNIE-OAHLLOKOSA-N 2 0 364.515 0.943 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083908411 841555667 /nfs/dbraw/zinc/55/56/67/841555667.db2.gz BIXZQOFKGXMMKF-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP CC(=O)[C@@H](C)N1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833362 861218875 /nfs/dbraw/zinc/21/88/75/861218875.db2.gz CIULDASTJJPPSJ-BEFAXECRSA-N 2 0 351.491 0.999 20 0 FCADRP C[NH+](C)CCN1CC2(CN(CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862063 861230298 /nfs/dbraw/zinc/23/02/98/861230298.db2.gz AQJSXLRZZGLZLV-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2)C(N)=O ZINC001275881271 861246713 /nfs/dbraw/zinc/24/67/13/861246713.db2.gz YRBTUSCSYVIOBR-JYJNAYRXSA-N 2 0 350.507 0.810 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958322 841969051 /nfs/dbraw/zinc/96/90/51/841969051.db2.gz VOMUBWQCSBBBBH-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014200 841990738 /nfs/dbraw/zinc/99/07/38/841990738.db2.gz KXRGGYJGPNIJGV-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001085035744 841996880 /nfs/dbraw/zinc/99/68/80/841996880.db2.gz OTAGTYXUNMMECV-PMPSAXMXSA-N 2 0 351.495 0.275 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085224801 842051283 /nfs/dbraw/zinc/05/12/83/842051283.db2.gz WICGNKGYGBGDNO-BZUAXINKSA-N 2 0 352.479 0.132 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085331892 842078988 /nfs/dbraw/zinc/07/89/88/842078988.db2.gz CPWBCLBCNIKUAG-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085393837 842091960 /nfs/dbraw/zinc/09/19/60/842091960.db2.gz MLDJMPZLKDKYRK-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086700094 842154125 /nfs/dbraw/zinc/15/41/25/842154125.db2.gz WWUXWMDPWBLWOL-QKPAOTATSA-N 2 0 351.495 0.226 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087059543 842255678 /nfs/dbraw/zinc/25/56/78/842255678.db2.gz KXBZCBLYDUDWSV-CZUORRHYSA-N 2 0 351.451 0.507 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087062342 842258950 /nfs/dbraw/zinc/25/89/50/842258950.db2.gz CGIJACWCOBZTAV-DJIMGWMZSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083595 842276522 /nfs/dbraw/zinc/27/65/22/842276522.db2.gz MJZABJWCHRYMSG-IIAWOOMASA-N 2 0 351.451 0.507 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087096346 842286849 /nfs/dbraw/zinc/28/68/49/842286849.db2.gz JLLCIZIIYAAPCM-BFYDXBDKSA-N 2 0 350.463 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087100268 842289713 /nfs/dbraw/zinc/28/97/13/842289713.db2.gz MRQWFIDTKVWQNU-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087213066 842319634 /nfs/dbraw/zinc/31/96/34/842319634.db2.gz CTGUNJLASZOMBX-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064584 842521272 /nfs/dbraw/zinc/52/12/72/842521272.db2.gz LSWNEROPPOYTFB-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211707 842563658 /nfs/dbraw/zinc/56/36/58/842563658.db2.gz VZXPONULYXYIRH-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCN1CCCC1=O ZINC001088939766 842723397 /nfs/dbraw/zinc/72/33/97/842723397.db2.gz ISSBUNXZZSDCCW-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758818 843088873 /nfs/dbraw/zinc/08/88/73/843088873.db2.gz MAAULHFPQJRJCU-LJHODMEESA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014924 843140667 /nfs/dbraw/zinc/14/06/67/843140667.db2.gz GYVDVPRRZSBVHG-VCBZYWHSSA-N 2 0 350.507 0.763 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145905 843164085 /nfs/dbraw/zinc/16/40/85/843164085.db2.gz VOFKIWDDSKOFGE-MDZRGWNJSA-N 2 0 353.507 0.912 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190073 843168490 /nfs/dbraw/zinc/16/84/90/843168490.db2.gz MPSKHWRMQMLEAF-GJYPPUQNSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604669 843249176 /nfs/dbraw/zinc/24/91/76/843249176.db2.gz OJYQQWDEWAADRB-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)CC[NH+]1C ZINC001092621232 843255360 /nfs/dbraw/zinc/25/53/60/843255360.db2.gz WNBLFKYKDDNKBF-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092910144 843337548 /nfs/dbraw/zinc/33/75/48/843337548.db2.gz VNQZLHAYFLBWDJ-LTIDMASMSA-N 2 0 350.507 0.633 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309625 861405979 /nfs/dbraw/zinc/40/59/79/861405979.db2.gz YYNILLVZKFQRHG-HKUYNNGSSA-N 2 0 350.507 0.731 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093117199 843393811 /nfs/dbraw/zinc/39/38/11/843393811.db2.gz GYRWDLGRRNMOGU-RHSMWYFYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093284926 843420645 /nfs/dbraw/zinc/42/06/45/843420645.db2.gz LORIBBOSPVSOJS-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093461435 843438400 /nfs/dbraw/zinc/43/84/00/843438400.db2.gz ITPBSOBTQKPAJB-YWTNHNAXSA-N 2 0 353.507 0.287 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093474678 843441252 /nfs/dbraw/zinc/44/12/52/843441252.db2.gz UBYCFNCBPNKMHN-JEWRLFTDSA-N 2 0 351.491 0.041 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1=O ZINC001093821158 843475298 /nfs/dbraw/zinc/47/52/98/843475298.db2.gz TTXMBFLMPWYMGW-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001093859286 843480241 /nfs/dbraw/zinc/48/02/41/843480241.db2.gz RKFVSNNWGCWYOV-RBSFLKMASA-N 2 0 351.499 0.607 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001094137847 843521526 /nfs/dbraw/zinc/52/15/26/843521526.db2.gz ZGUIPUCWKWHKDU-IXDOHACOSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094220891 843532858 /nfs/dbraw/zinc/53/28/58/843532858.db2.gz BPBLMVARVBVUKL-HUUCEWRRSA-N 2 0 352.458 0.528 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450242 843555180 /nfs/dbraw/zinc/55/51/80/843555180.db2.gz HUNVFLILNWEXMZ-FRQCXROJSA-N 2 0 350.507 0.920 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875996 843943379 /nfs/dbraw/zinc/94/33/79/843943379.db2.gz YWTBRCUOWNNQEW-FCEWJHQRSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099269449 843998815 /nfs/dbraw/zinc/99/88/15/843998815.db2.gz LNJYCULIADQKNT-CHWSQXEVSA-N 2 0 367.412 0.316 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994323 844682014 /nfs/dbraw/zinc/68/20/14/844682014.db2.gz YKKNMEBCIJHZEE-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103050136 844690273 /nfs/dbraw/zinc/69/02/73/844690273.db2.gz UCNSOOBDPNSSDK-BZUAXINKSA-N 2 0 358.502 0.877 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103140266 844706920 /nfs/dbraw/zinc/70/69/20/844706920.db2.gz VNYPONMYEPLDNA-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001103398482 844750701 /nfs/dbraw/zinc/75/07/01/844750701.db2.gz UYRJIGLBACSCJA-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397019 844751096 /nfs/dbraw/zinc/75/10/96/844751096.db2.gz VCILLAMNEOBYEX-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433951 844757585 /nfs/dbraw/zinc/75/75/85/844757585.db2.gz OTRUJFCVLINWCJ-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436375 844757904 /nfs/dbraw/zinc/75/79/04/844757904.db2.gz VPPUOSUQPLLUDU-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103444811 844760172 /nfs/dbraw/zinc/76/01/72/844760172.db2.gz KIWOIGPPFZJHEE-OAGGEKHMSA-N 2 0 353.511 0.426 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570731 844781658 /nfs/dbraw/zinc/78/16/58/844781658.db2.gz CIHJAWBUFQZKNN-QZTJIDSGSA-N 2 0 355.523 0.801 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103612890 844787321 /nfs/dbraw/zinc/78/73/21/844787321.db2.gz ZWUIMYIKJBQKOF-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643819 844793302 /nfs/dbraw/zinc/79/33/02/844793302.db2.gz RWAHOLLXHFERHP-ZIAGYGMSSA-N 2 0 355.508 0.691 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723527 844808971 /nfs/dbraw/zinc/80/89/71/844808971.db2.gz OCMSYAKTCXVZOX-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103754530 844816868 /nfs/dbraw/zinc/81/68/68/844816868.db2.gz JPJGITLKIVLNHD-ZIAGYGMSSA-N 2 0 352.483 0.023 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001103999632 844852294 /nfs/dbraw/zinc/85/22/94/844852294.db2.gz FRGQYAZGBADVNP-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999998 844852414 /nfs/dbraw/zinc/85/24/14/844852414.db2.gz RILJZBZGERTKAN-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP COCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001104209703 844877718 /nfs/dbraw/zinc/87/77/18/844877718.db2.gz NWTCBEAOUOQBPR-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001104213784 844878594 /nfs/dbraw/zinc/87/85/94/844878594.db2.gz QCCOBCRMUQJZJV-WCXIOVBPSA-N 2 0 352.523 0.879 20 0 FCADRP CCOCCN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630187 861507508 /nfs/dbraw/zinc/50/75/08/861507508.db2.gz LRYMAGKCMAAELN-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104256742 844883116 /nfs/dbraw/zinc/88/31/16/844883116.db2.gz OCVYHSSHJDTERT-BZUAXINKSA-N 2 0 358.502 0.829 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104256495 844883290 /nfs/dbraw/zinc/88/32/90/844883290.db2.gz CIYTZUZLMMUNQB-BRWVUGGUSA-N 2 0 361.502 0.749 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001104319156 844894613 /nfs/dbraw/zinc/89/46/13/844894613.db2.gz FUGKYJJXWCIWKG-ZACQAIPSSA-N 2 0 350.511 0.939 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1)[NH+](C)C ZINC001104348636 844896231 /nfs/dbraw/zinc/89/62/31/844896231.db2.gz MCOZRHHMUIFABQ-DJIMGWMZSA-N 2 0 352.523 0.927 20 0 FCADRP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433585 844911431 /nfs/dbraw/zinc/91/14/31/844911431.db2.gz MFBJUIOTAAGISV-LDBBTLTOSA-N 2 0 351.491 0.570 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754771 844939050 /nfs/dbraw/zinc/93/90/50/844939050.db2.gz JOMLUSFEYDNYIC-NXHRZFHOSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104754880 844939078 /nfs/dbraw/zinc/93/90/78/844939078.db2.gz JWZLKIODEULAEV-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104811595 844946241 /nfs/dbraw/zinc/94/62/41/844946241.db2.gz BVDIVVHBOQFRSV-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001104908236 844958607 /nfs/dbraw/zinc/95/86/07/844958607.db2.gz OHMLXMQZRVIUCE-UKRRQHHQSA-N 2 0 352.483 0.266 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001105010775 844968913 /nfs/dbraw/zinc/96/89/13/844968913.db2.gz ZCQWBGLBVCBDFD-BZUAXINKSA-N 2 0 351.495 0.038 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105659756 845011475 /nfs/dbraw/zinc/01/14/75/845011475.db2.gz PXENEQPUPQURCI-FPAYPSAMSA-N 2 0 355.523 0.677 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675495 845017059 /nfs/dbraw/zinc/01/70/59/845017059.db2.gz PSSAYDLYDNYXRB-PSBWJHGTSA-N 2 0 355.523 0.939 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941849 845064066 /nfs/dbraw/zinc/06/40/66/845064066.db2.gz NJFDONYHOLNJCT-BMFZPTHFSA-N 2 0 366.531 0.997 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106198494 845129432 /nfs/dbraw/zinc/12/94/32/845129432.db2.gz CKRDDGHFBGYGFY-BPLDGKMQSA-N 2 0 354.474 0.977 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198635 845129837 /nfs/dbraw/zinc/12/98/37/845129837.db2.gz IEUBISHNHYYCOI-BZUAXINKSA-N 2 0 358.502 0.829 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106249785 845143091 /nfs/dbraw/zinc/14/30/91/845143091.db2.gz PWFOVAFYWDFPJO-FRFSOERESA-N 2 0 352.523 0.925 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248036 845143152 /nfs/dbraw/zinc/14/31/52/845143152.db2.gz HXLJYBYBENBSFA-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)[NH+](C)C ZINC001106281788 845147021 /nfs/dbraw/zinc/14/70/21/845147021.db2.gz CNWZPUPNRGEUSC-RKVPGOIHSA-N 2 0 352.523 0.878 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)[NH+](C)C ZINC001106282192 845147920 /nfs/dbraw/zinc/14/79/20/845147920.db2.gz XRRMDQSMXGUPLZ-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106477713 845180931 /nfs/dbraw/zinc/18/09/31/845180931.db2.gz OSENBXCQDKVWEZ-KBAYOESNSA-N 2 0 353.507 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106482759 845181943 /nfs/dbraw/zinc/18/19/43/845181943.db2.gz MRXHJFSUJGTBNN-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106622843 845206845 /nfs/dbraw/zinc/20/68/45/845206845.db2.gz TWCJTGHZTNVQMK-HUUCEWRRSA-N 2 0 350.463 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001106626989 845208650 /nfs/dbraw/zinc/20/86/50/845208650.db2.gz QLGOLYFZIXQJBI-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106665144 845218786 /nfs/dbraw/zinc/21/87/86/845218786.db2.gz JKLLNXJPISYQOW-OWCLPIDISA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001106666335 845219130 /nfs/dbraw/zinc/21/91/30/845219130.db2.gz KXQIQZOAQFMGPF-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106665143 845219299 /nfs/dbraw/zinc/21/92/99/845219299.db2.gz JKLLNXJPISYQOW-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106673255 845221633 /nfs/dbraw/zinc/22/16/33/845221633.db2.gz SYLZPAHEDQLFQB-HUUCEWRRSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001106728635 845235817 /nfs/dbraw/zinc/23/58/17/845235817.db2.gz MEICJMSMBWRHNI-FGTMMUONSA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106778843 845250440 /nfs/dbraw/zinc/25/04/40/845250440.db2.gz UMTHMTRLFMCYST-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106797824 845255614 /nfs/dbraw/zinc/25/56/14/845255614.db2.gz YBRQXFLCXJIPRG-HZPDHXFCSA-N 2 0 350.507 0.681 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825578 845263408 /nfs/dbraw/zinc/26/34/08/845263408.db2.gz YJMDXTPZZLPTKJ-BFYDXBDKSA-N 2 0 352.523 0.925 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106839360 845264605 /nfs/dbraw/zinc/26/46/05/845264605.db2.gz DJGWDPTWXGIDFN-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106839636 845265151 /nfs/dbraw/zinc/26/51/51/845265151.db2.gz LZNSXWMHQSRSTE-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106874941 845275662 /nfs/dbraw/zinc/27/56/62/845275662.db2.gz ZVYWCOCZHBRLEZ-OWCLPIDISA-N 2 0 351.495 0.038 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106880583 845277812 /nfs/dbraw/zinc/27/78/12/845277812.db2.gz KVPZKSUYKPLYHQ-QLFBSQMISA-N 2 0 352.483 0.138 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106881765 845278686 /nfs/dbraw/zinc/27/86/86/845278686.db2.gz JKMUSBRHVYAYDD-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)CS(C)(=O)=O ZINC001106984647 845301051 /nfs/dbraw/zinc/30/10/51/845301051.db2.gz XHBVGWKJHWHBOV-ARFHVFGLSA-N 2 0 359.536 0.447 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438879 845373120 /nfs/dbraw/zinc/37/31/20/845373120.db2.gz MAIHAFWQBKBBKM-YQVWRLOYSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2)[NH+](C)C ZINC001107451244 845375723 /nfs/dbraw/zinc/37/57/23/845375723.db2.gz RZAXCNKOVROBIR-GPMSIDNRSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107530599 845391747 /nfs/dbraw/zinc/39/17/47/845391747.db2.gz BMOXXZODMSUOQI-CRAIPNDOSA-N 2 0 351.495 0.324 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001107952888 845418873 /nfs/dbraw/zinc/41/88/73/845418873.db2.gz MYJCUELFWPNHGX-SZVBFZGTSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109474408 845667731 /nfs/dbraw/zinc/66/77/31/845667731.db2.gz VPWZAWPTKUIXDL-OWSLCNJRSA-N 2 0 353.507 0.837 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001109732902 845724683 /nfs/dbraw/zinc/72/46/83/845724683.db2.gz BAZVKFKNSIKDAC-QZWWFDLISA-N 2 0 354.495 0.201 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115162 845798727 /nfs/dbraw/zinc/79/87/27/845798727.db2.gz QFNMEZBJFCMGQL-OWSLCNJRSA-N 2 0 353.507 0.981 20 0 FCADRP COCCOCN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794384 861610330 /nfs/dbraw/zinc/61/03/30/861610330.db2.gz IQEPZFQEGLWVAR-CRAIPNDOSA-N 2 0 357.495 0.280 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001110715950 845954680 /nfs/dbraw/zinc/95/46/80/845954680.db2.gz BAZVKFKNSIKDAC-VQHPVUNQSA-N 2 0 354.495 0.201 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110934810 845999080 /nfs/dbraw/zinc/99/90/80/845999080.db2.gz OABQTUJIQDGGCR-TVFCKZIOSA-N 2 0 353.507 0.839 20 0 FCADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961155 846002594 /nfs/dbraw/zinc/00/25/94/846002594.db2.gz UAGZARPEYJTVCO-OAGGEKHMSA-N 2 0 374.551 0.331 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001111233999 846066584 /nfs/dbraw/zinc/06/65/84/846066584.db2.gz ZJZRJLSGHGEBTP-HZMVEIRTSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111857873 846233802 /nfs/dbraw/zinc/23/38/02/846233802.db2.gz CRAWUFBVGLSECN-DEYYWGMASA-N 2 0 350.463 0.104 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001111862466 846236072 /nfs/dbraw/zinc/23/60/72/846236072.db2.gz OFURCOCKLQEQJE-GJYPPUQNSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891201 846250554 /nfs/dbraw/zinc/25/05/54/846250554.db2.gz IXOBWELWUYPPCR-SCTDSRPQSA-N 2 0 353.507 0.696 20 0 FCADRP CCOC(=O)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276887961 861670330 /nfs/dbraw/zinc/67/03/30/861670330.db2.gz LDTZXJNUTVENOW-SFHVURJKSA-N 2 0 355.479 0.442 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154235 846421492 /nfs/dbraw/zinc/42/14/92/846421492.db2.gz BCTAEDVQINGFHN-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112156088 846423042 /nfs/dbraw/zinc/42/30/42/846423042.db2.gz YQUHMDVTCKVUOX-YNEHKIRRSA-N 2 0 366.428 0.784 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112166239 846429739 /nfs/dbraw/zinc/42/97/39/846429739.db2.gz KVTKDDBGMJTXTF-MGPQQGTHSA-N 2 0 367.412 0.316 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194215 846452478 /nfs/dbraw/zinc/45/24/78/846452478.db2.gz SMFCNLLXUAUXBB-JHJVBQTASA-N 2 0 355.401 0.578 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194019 846453057 /nfs/dbraw/zinc/45/30/57/846453057.db2.gz IJRQMHVLJDFREB-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112198096 846455084 /nfs/dbraw/zinc/45/50/84/846455084.db2.gz AMQRZOXBPKBTJZ-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196457 846455448 /nfs/dbraw/zinc/45/54/48/846455448.db2.gz LSHZSKUPUGAFBO-BFHYXJOUSA-N 2 0 369.428 0.705 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001112399166 846500874 /nfs/dbraw/zinc/50/08/74/846500874.db2.gz FXKYBGBJTLYCLE-WDYCEAGBSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2)C(N)=O ZINC001112522753 846513949 /nfs/dbraw/zinc/51/39/49/846513949.db2.gz MQAVEIVJLKJQGV-BXWFABGCSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC1 ZINC001112522397 846514053 /nfs/dbraw/zinc/51/40/53/846514053.db2.gz VWXACGNZWCBNCY-HKUYNNGSSA-N 2 0 353.507 0.555 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2)C(N)=O ZINC001112540492 846518742 /nfs/dbraw/zinc/51/87/42/846518742.db2.gz ZQEVXVQHBYRYKN-ALKREAHSSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112548850 846521425 /nfs/dbraw/zinc/52/14/25/846521425.db2.gz VSHZXFLQZRAGMF-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112567572 846526207 /nfs/dbraw/zinc/52/62/07/846526207.db2.gz XFWPJARSEHSXIG-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112567326 846526524 /nfs/dbraw/zinc/52/65/24/846526524.db2.gz IVMVVINRBNFESA-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001118135002 847292810 /nfs/dbraw/zinc/29/28/10/847292810.db2.gz AACKIYZOCBHJSC-UHFFFAOYSA-N 2 0 350.467 0.352 20 0 FCADRP CS(=O)(=O)CCN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC001118387032 847409172 /nfs/dbraw/zinc/40/91/72/847409172.db2.gz LDMDDAGEAJJBCD-GOSISDBHSA-N 2 0 373.563 0.728 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001119310323 847808010 /nfs/dbraw/zinc/80/80/10/847808010.db2.gz YKWXOELVGGPDOU-WMLDXEAASA-N 2 0 352.479 0.086 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC001119424964 847839992 /nfs/dbraw/zinc/83/99/92/847839992.db2.gz NGNDVZWBRIYMCZ-ZACQAIPSSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cn1 ZINC001119764971 847968340 /nfs/dbraw/zinc/96/83/40/847968340.db2.gz DJKSHHAGNAALOO-CVEARBPZSA-N 2 0 350.467 0.508 20 0 FCADRP COCn1ncc(C)c1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001120057986 848067437 /nfs/dbraw/zinc/06/74/37/848067437.db2.gz PTXJYIMLQOHLFS-UHFFFAOYSA-N 2 0 351.495 0.682 20 0 FCADRP CO[C@]1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCOC1 ZINC001120529829 848233828 /nfs/dbraw/zinc/23/38/28/848233828.db2.gz SLVYGVLOXBXQSR-JZXOWHBKSA-N 2 0 352.479 0.402 20 0 FCADRP CO[C@@]1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCOC1 ZINC001120529831 848234081 /nfs/dbraw/zinc/23/40/81/848234081.db2.gz SLVYGVLOXBXQSR-SOLBZPMBSA-N 2 0 352.479 0.402 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001121928021 848420108 /nfs/dbraw/zinc/42/01/08/848420108.db2.gz MAIVPTVUGUORRK-FGTMMUONSA-N 2 0 352.523 0.677 20 0 FCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993641 848430830 /nfs/dbraw/zinc/43/08/30/848430830.db2.gz WYTPNWSFCSCYGI-HNKHHVNMSA-N 2 0 351.495 0.497 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001123885040 848649583 /nfs/dbraw/zinc/64/95/83/848649583.db2.gz AGIFACQNXIHWEQ-MRXNPFEDSA-N 2 0 355.527 0.157 20 0 FCADRP CCc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001127643907 848729556 /nfs/dbraw/zinc/72/95/56/848729556.db2.gz QXWGETFWQWDIPT-CZUORRHYSA-N 2 0 366.531 0.973 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC001127637986 848730215 /nfs/dbraw/zinc/73/02/15/848730215.db2.gz DNHDJDMLSHNJLR-CZUORRHYSA-N 2 0 353.488 0.636 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638544 848730656 /nfs/dbraw/zinc/73/06/56/848730656.db2.gz LTBZRIATKQRQBQ-JHJVBQTASA-N 2 0 355.483 0.045 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2F)CC[N@@H+]1C ZINC001127652867 848731624 /nfs/dbraw/zinc/73/16/24/848731624.db2.gz GBLRDGARQXEVSP-QLFBSQMISA-N 2 0 353.438 0.611 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001127701894 848732607 /nfs/dbraw/zinc/73/26/07/848732607.db2.gz ZTGXGWGLXZNKDD-DLBZAZTESA-N 2 0 367.515 0.896 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706560 848733019 /nfs/dbraw/zinc/73/30/19/848733019.db2.gz MZIFXIZIRSFGJU-OWCLPIDISA-N 2 0 356.511 0.354 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1C ZINC001127707260 848734263 /nfs/dbraw/zinc/73/42/63/848734263.db2.gz XKRDGVMJOHSIGJ-HYVNUMGLSA-N 2 0 353.463 0.593 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129030104 848798022 /nfs/dbraw/zinc/79/80/22/848798022.db2.gz QVAOBAXQWNJWGF-ZNMIVQPWSA-N 2 0 358.437 0.659 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397058 848840181 /nfs/dbraw/zinc/84/01/81/848840181.db2.gz OOUJQLKQXJMWEK-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461740 848847753 /nfs/dbraw/zinc/84/77/53/848847753.db2.gz ZXBXZXDZMLGYTN-OAGGEKHMSA-N 2 0 352.483 0.121 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894631 848909739 /nfs/dbraw/zinc/90/97/39/848909739.db2.gz LURPQMWHPIXDEE-ZNMIVQPWSA-N 2 0 352.458 0.852 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894833 848909787 /nfs/dbraw/zinc/90/97/87/848909787.db2.gz UUXPYEKEMUCUSI-KFWWJZLASA-N 2 0 350.467 0.139 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)CCCC1 ZINC001129948976 848920802 /nfs/dbraw/zinc/92/08/02/848920802.db2.gz IWLNOTKVADMXQK-CABCVRRESA-N 2 0 352.458 0.854 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130009510 848931252 /nfs/dbraw/zinc/93/12/52/848931252.db2.gz SLEGARWWMGCPAX-PMPSAXMXSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001130081498 848941261 /nfs/dbraw/zinc/94/12/61/848941261.db2.gz RRBTWSRQQBYPPO-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086155 848942453 /nfs/dbraw/zinc/94/24/53/848942453.db2.gz NTJXSSJMANLYHU-OAGGEKHMSA-N 2 0 352.483 0.244 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086284 848942789 /nfs/dbraw/zinc/94/27/89/848942789.db2.gz UGOPKTCZWMMGGS-GCRBFPJHSA-N 2 0 352.870 0.714 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1)[NH+](C)C ZINC001130221175 848978917 /nfs/dbraw/zinc/97/89/17/848978917.db2.gz YFFXTGRUTFLUPA-MJBXVCDLSA-N 2 0 352.483 0.632 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001130221108 848978972 /nfs/dbraw/zinc/97/89/72/848978972.db2.gz VDWMAJLWIPWWET-KCQAQPDRSA-N 2 0 350.467 0.243 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130251292 848988620 /nfs/dbraw/zinc/98/86/20/848988620.db2.gz LPUANRIBGAOULG-STQMWFEESA-N 2 0 356.446 0.193 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001130290588 848997121 /nfs/dbraw/zinc/99/71/21/848997121.db2.gz GKEKOXBIIZWIBT-WBVHZDCISA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1)[NH+](C)C ZINC001130614669 849020058 /nfs/dbraw/zinc/02/00/58/849020058.db2.gz AUPJNBUKPBVTGM-USXIJHARSA-N 2 0 351.495 0.681 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130657099 849024334 /nfs/dbraw/zinc/02/43/34/849024334.db2.gz YMQRFPHTWNFEMD-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)OC ZINC001130669864 849025596 /nfs/dbraw/zinc/02/55/96/849025596.db2.gz KXTSVEXGUNALQO-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712927 849028526 /nfs/dbraw/zinc/02/85/26/849028526.db2.gz SJKKLSKIIFERKP-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130719332 849028664 /nfs/dbraw/zinc/02/86/64/849028664.db2.gz JYYICJZCCFWWQT-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP CC(C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712971 849028867 /nfs/dbraw/zinc/02/88/67/849028867.db2.gz VZCCBPYMKCQRPI-DOTOQJQBSA-N 2 0 351.495 0.538 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130719679 849029955 /nfs/dbraw/zinc/02/99/55/849029955.db2.gz ZTJYIPZWYQAQAB-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC[NH+](C)C)n2)O1 ZINC001130817305 849048770 /nfs/dbraw/zinc/04/87/70/849048770.db2.gz LDVQAKGNCMKGHZ-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001131010380 849070026 /nfs/dbraw/zinc/07/00/26/849070026.db2.gz KTDNGHRECZNLCM-INMHGKMJSA-N 2 0 351.495 0.273 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131060209 849076041 /nfs/dbraw/zinc/07/60/41/849076041.db2.gz ZOLWLDNSTJGNMX-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321106 849096623 /nfs/dbraw/zinc/09/66/23/849096623.db2.gz MTECTUTYZDYVGU-XHSDSOJGSA-N 2 0 352.479 0.843 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)CC1 ZINC001131549913 849121907 /nfs/dbraw/zinc/12/19/07/849121907.db2.gz GICBCPCYEPYYEV-SJORKVTESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@@H](O)C(F)(F)F)C2 ZINC001277694503 862001980 /nfs/dbraw/zinc/00/19/80/862001980.db2.gz JZMJSZUGQIIHQO-OCCSQVGLSA-N 2 0 353.385 0.022 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3cccnc3F)CC[C@@H]2C1 ZINC001138785531 849318898 /nfs/dbraw/zinc/31/88/98/849318898.db2.gz BOWDLWFGQRGEDM-GDBMZVCRSA-N 2 0 350.438 0.832 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CC[NH+]1CCCCC1 ZINC001142913285 849465395 /nfs/dbraw/zinc/46/53/95/849465395.db2.gz PYLSRWIEHHRNGF-UHFFFAOYSA-N 2 0 370.475 0.485 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)no1 ZINC001143140197 849476967 /nfs/dbraw/zinc/47/69/67/849476967.db2.gz LLSLBNBNRAKCND-CYBMUJFWSA-N 2 0 352.435 0.949 20 0 FCADRP CSCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001144051908 849507652 /nfs/dbraw/zinc/50/76/52/849507652.db2.gz NXNKRUJRFPGFGF-UHFFFAOYSA-N 2 0 356.536 0.436 20 0 FCADRP CNC(=O)CN1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151137801 849679088 /nfs/dbraw/zinc/67/90/88/849679088.db2.gz KCJHYFXPJZBOOW-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761361 862056695 /nfs/dbraw/zinc/05/66/95/862056695.db2.gz MKDRUPHCCCKWSX-IBGZPJMESA-N 2 0 352.523 0.462 20 0 FCADRP CCCCOC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277777720 862071393 /nfs/dbraw/zinc/07/13/93/862071393.db2.gz GYKKBIOZPHBSLW-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)[N@H+](C)[C@H]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001157000580 849936461 /nfs/dbraw/zinc/93/64/61/849936461.db2.gz GMVUCUHKURAMFH-ZDUSSCGKSA-N 2 0 367.519 0.487 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001157448677 849974078 /nfs/dbraw/zinc/97/40/78/849974078.db2.gz FNOKNZQRPMSLPS-CQSZACIVSA-N 3 0 352.479 0.134 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626129 849984811 /nfs/dbraw/zinc/98/48/11/849984811.db2.gz AKNFRAUXMDKNAI-KRWDZBQOSA-N 3 0 350.507 0.146 20 0 FCADRP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001157626982 849985885 /nfs/dbraw/zinc/98/58/85/849985885.db2.gz KQAWWENEKZQXGP-PKOBYXMFSA-N 2 0 350.507 0.289 20 0 FCADRP C[C@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1F ZINC001157926311 850004259 /nfs/dbraw/zinc/00/42/59/850004259.db2.gz ORZGCOJHUGHEOD-WSMBLCCSSA-N 2 0 360.449 0.732 20 0 FCADRP Cc1cnc(N([C@H]2CCC[NH2+]C2)S(=O)(=O)C(C)C)nc1C1C[NH2+]C1 ZINC001157994048 850010134 /nfs/dbraw/zinc/01/01/34/850010134.db2.gz GJLHBWCHZATEMT-AWEZNQCLSA-N 2 0 353.492 0.768 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CC[C@H](O)CC1 ZINC001157997760 850011453 /nfs/dbraw/zinc/01/14/53/850011453.db2.gz PVTSXJLUQNVUFJ-VGWMRTNUSA-N 2 0 354.495 0.196 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250683 850029683 /nfs/dbraw/zinc/02/96/83/850029683.db2.gz WAGQZRPYJFGWHA-NWDGAFQWSA-N 2 0 362.396 0.612 20 0 FCADRP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262139 850030978 /nfs/dbraw/zinc/03/09/78/850030978.db2.gz QKVXTCCCSCICTL-OCCSQVGLSA-N 2 0 350.467 0.230 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CC(F)C1)C2 ZINC001158383421 850043360 /nfs/dbraw/zinc/04/33/60/850043360.db2.gz PIJYBXHDPKADKC-SGYKNSOCSA-N 2 0 367.343 0.359 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)C2 ZINC001158384073 850044247 /nfs/dbraw/zinc/04/42/47/850044247.db2.gz QKDYODPPCICVPI-XBIAIPMCSA-N 2 0 361.364 0.138 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])C(C)(C)C)C2 ZINC001158386659 850044512 /nfs/dbraw/zinc/04/45/12/850044512.db2.gz ZWRHKSXLXPAJOW-COLVAYQJSA-N 2 0 365.396 0.903 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1CC(C[NH3+])C1)C2 ZINC001158384345 850044935 /nfs/dbraw/zinc/04/49/35/850044935.db2.gz VKCPSZYASDKQPL-FBDPFYNOSA-N 2 0 363.380 0.515 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158420882 850048485 /nfs/dbraw/zinc/04/84/85/850048485.db2.gz ACHNWVAYPVZNMJ-YTFOTSKYSA-N 2 0 356.536 0.561 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158576792 850060157 /nfs/dbraw/zinc/06/01/57/850060157.db2.gz DPKIHNIRVIERNA-KFWWJZLASA-N 2 0 355.454 0.782 20 0 FCADRP C[NH+]1CCC(N(c2nc(Cl)cnc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158575679 850060804 /nfs/dbraw/zinc/06/08/04/850060804.db2.gz QWLFHEBJAJIVPU-UHFFFAOYSA-N 2 0 352.870 0.882 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1=O ZINC001158700607 850067729 /nfs/dbraw/zinc/06/77/29/850067729.db2.gz CGQNKEKGYGLDJH-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158697581 850068171 /nfs/dbraw/zinc/06/81/71/850068171.db2.gz DGAWBHGGKOMJRC-HNNXBMFYSA-N 2 0 350.511 0.867 20 0 FCADRP CS(=O)(=O)c1nc2c(c(NCC34CC[NH+](CC3)CC4)n1)CC[NH2+]CC2 ZINC001158823678 850079874 /nfs/dbraw/zinc/07/98/74/850079874.db2.gz CFICHNHAQRUUTJ-UHFFFAOYSA-N 2 0 365.503 0.466 20 0 FCADRP [NH3+]CCCNCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903094 850084162 /nfs/dbraw/zinc/08/41/62/850084162.db2.gz MGOUMZHTYPZGMZ-SUMWQHHRSA-N 2 0 351.426 0.013 20 0 FCADRP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC3)cn1 ZINC001158992253 850090021 /nfs/dbraw/zinc/09/00/21/850090021.db2.gz UHRHJIDMGNWOHZ-ZFWWWQNUSA-N 2 0 367.519 0.304 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001159134328 850098461 /nfs/dbraw/zinc/09/84/61/850098461.db2.gz MQSGDNPAHNUSST-LSDHHAIUSA-N 2 0 351.495 0.936 20 0 FCADRP CC[C@@H]1N(C(=O)[C@@H]([NH3+])CCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159278819 850106881 /nfs/dbraw/zinc/10/68/81/850106881.db2.gz DBYPROCQNULOGM-MPGHIAIKSA-N 2 0 354.495 0.461 20 0 FCADRP Nc1ncn(C=C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397252 850111039 /nfs/dbraw/zinc/11/10/39/850111039.db2.gz QBWLHBQDKPLWQZ-STQMWFEESA-N 2 0 352.870 0.214 20 0 FCADRP CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC[C@H]2S1(=O)=O ZINC001159404590 850111930 /nfs/dbraw/zinc/11/19/30/850111930.db2.gz UJKBYQQPNRPRBQ-OWCLPIDISA-N 2 0 374.551 0.318 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159404929 850112246 /nfs/dbraw/zinc/11/22/46/850112246.db2.gz ZKZATBMYXYPXSF-IFIJOSMWSA-N 2 0 352.410 0.141 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834932 850138929 /nfs/dbraw/zinc/13/89/29/850138929.db2.gz WUHBQMZEWMRRGS-HZSPNIEDSA-N 3 0 369.560 0.585 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853932 850141245 /nfs/dbraw/zinc/14/12/45/850141245.db2.gz CJTSXNBCOLNEIF-OIISXLGYSA-N 3 0 350.438 0.556 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490767 850176115 /nfs/dbraw/zinc/17/61/15/850176115.db2.gz IEURLRILQDCODE-HNNXBMFYSA-N 2 0 355.479 0.629 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611191 850185373 /nfs/dbraw/zinc/18/53/73/850185373.db2.gz SFRIPMQNYISADH-JKSUJKDBSA-N 2 0 351.472 0.388 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160689006 850191158 /nfs/dbraw/zinc/19/11/58/850191158.db2.gz SHTYXLDAJBURRX-LBPRGKRZSA-N 2 0 352.401 0.717 20 0 FCADRP CCc1noc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)n1 ZINC001160741689 850196214 /nfs/dbraw/zinc/19/62/14/850196214.db2.gz JKHWITPPPAIOPT-OCCSQVGLSA-N 2 0 350.467 0.088 20 0 FCADRP C[C@](O)(C1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1)C(F)(F)F ZINC001160838400 850201662 /nfs/dbraw/zinc/20/16/62/850201662.db2.gz NDRSGSDOBVYXGG-ZFWWWQNUSA-N 2 0 366.428 0.289 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001161030015 850224520 /nfs/dbraw/zinc/22/45/20/850224520.db2.gz RJOQJQFXOIYMHA-IRXDYDNUSA-N 2 0 366.893 0.990 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001161030018 850224729 /nfs/dbraw/zinc/22/47/29/850224729.db2.gz RJOQJQFXOIYMHA-SJORKVTESA-N 2 0 366.893 0.990 20 0 FCADRP [NH3+]C1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC(F)C1 ZINC001161198820 850238735 /nfs/dbraw/zinc/23/87/35/850238735.db2.gz ZHJQHNCUVLEURW-UHFFFAOYSA-N 2 0 356.486 0.366 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321819 850252217 /nfs/dbraw/zinc/25/22/17/850252217.db2.gz QBNKMLVPDZZWQS-NXNVCVFFSA-N 2 0 353.463 0.415 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161378856 850255347 /nfs/dbraw/zinc/25/53/47/850255347.db2.gz AGRYAWLDJQDLLP-CABCVRRESA-N 2 0 355.479 0.629 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423582 850258414 /nfs/dbraw/zinc/25/84/14/850258414.db2.gz GEIGPFJWACTMMR-XGUBFFRZSA-N 2 0 356.536 0.514 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC2 ZINC001161480309 850261865 /nfs/dbraw/zinc/26/18/65/850261865.db2.gz OVAURTWEAKLOCE-DAYGRLMNSA-N 3 0 354.495 0.236 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1csc([C@H]3CCC[NH2+]3)n1)CC2 ZINC001161477331 850262353 /nfs/dbraw/zinc/26/23/53/850262353.db2.gz DYYFNKOGJXLNAT-ZUCKAHLUSA-N 2 0 364.471 0.935 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)CC2 ZINC001161481113 850263155 /nfs/dbraw/zinc/26/31/55/850263155.db2.gz WIVDASMLCXTUQD-ZAZJYDDPSA-N 2 0 363.380 0.671 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511147 850266022 /nfs/dbraw/zinc/26/60/22/850266022.db2.gz XHIPAELYBNTREY-KKUMJFAQSA-N 2 0 354.495 0.077 20 0 FCADRP CCOC(=O)c1cnc([S@](C)=O)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162291083 850306850 /nfs/dbraw/zinc/30/68/50/850306850.db2.gz ACGKBYBAVSIHFO-DEOSSOPVSA-N 2 0 357.480 0.521 20 0 FCADRP CCOC(=O)c1cnc([S@@](C)=O)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162291084 850307051 /nfs/dbraw/zinc/30/70/51/850307051.db2.gz ACGKBYBAVSIHFO-XMMPIXPASA-N 2 0 357.480 0.521 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001162725813 850327867 /nfs/dbraw/zinc/32/78/67/850327867.db2.gz MOQJZVULQSGJGZ-AWEZNQCLSA-N 2 0 350.467 0.429 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001162732737 850329208 /nfs/dbraw/zinc/32/92/08/850329208.db2.gz HUAXAAHUYLUXPD-CABCVRRESA-N 2 0 351.451 0.760 20 0 FCADRP COC(=O)[C@@H](Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)C(C)(C)[NH3+] ZINC001162947420 850339580 /nfs/dbraw/zinc/33/95/80/850339580.db2.gz HBUKCONPQOJNLY-OAHLLOKOSA-N 2 0 369.487 0.903 20 0 FCADRP O=S(=O)(c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1)C1CC[NH2+]CC1 ZINC001163104709 850355013 /nfs/dbraw/zinc/35/50/13/850355013.db2.gz CFIWPEMUSBSJEV-FSPWUOQZSA-N 2 0 365.499 0.859 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C(=O)OC)c(C(=O)OC)n1 ZINC001163122204 850356309 /nfs/dbraw/zinc/35/63/09/850356309.db2.gz FKKIBKAYUGIGIE-UHFFFAOYSA-N 2 0 351.407 0.933 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833747 862120882 /nfs/dbraw/zinc/12/08/82/862120882.db2.gz GTHXAEBGPVRCPY-CXAGYDPISA-N 2 0 361.433 0.795 20 0 FCADRP Clc1nc2c(c(N3CCCO[C@]4(C[NH2+]CCOC4)C3)n1)CC[NH2+]C2 ZINC001165343924 850435135 /nfs/dbraw/zinc/43/51/35/850435135.db2.gz LXRBAHRMTJPQOR-MRXNPFEDSA-N 2 0 353.854 0.361 20 0 FCADRP CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccnc(N2CC[NH2+]CC2)n1 ZINC001166411254 850476684 /nfs/dbraw/zinc/47/66/84/850476684.db2.gz XYDUSJMKIUJZQX-UHFFFAOYSA-N 2 0 362.459 0.443 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CCO1 ZINC001168124545 850573178 /nfs/dbraw/zinc/57/31/78/850573178.db2.gz XGZDWSCGJJITSX-IAGOWNOFSA-N 2 0 352.523 0.724 20 0 FCADRP CCN1C[C@@]23C[N@@H+](C4CCC([NH+](C)C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001168319023 850581553 /nfs/dbraw/zinc/58/15/53/850581553.db2.gz LQWJCQUVPBWZOJ-JWRYVHENSA-N 2 0 357.520 0.736 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3nc(Cl)nc4c3CC[NH2+]CC4)n2)c1 ZINC001168878377 850597960 /nfs/dbraw/zinc/59/79/60/850597960.db2.gz RMYPKSSCVSXESC-UHFFFAOYSA-N 2 0 356.821 0.920 20 0 FCADRP CSc1nc(C2C[NH2+]C2)cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)n1 ZINC001168877927 850598094 /nfs/dbraw/zinc/59/80/94/850598094.db2.gz JAUHBWDKKXCULK-UHFFFAOYSA-N 2 0 354.443 0.987 20 0 FCADRP CC[NH+]1CCC(N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CC1 ZINC001169249640 850610243 /nfs/dbraw/zinc/61/02/43/850610243.db2.gz IEUQWGLFODPXCU-DLBZAZTESA-N 2 0 369.535 0.439 20 0 FCADRP CC[N@@H+]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001173360528 850720259 /nfs/dbraw/zinc/72/02/59/850720259.db2.gz IZZPAMSLOOKOAF-KRWDZBQOSA-N 2 0 351.539 0.251 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)COc1ncc(Br)cn1 ZINC001177583007 850855948 /nfs/dbraw/zinc/85/59/48/850855948.db2.gz CVSYQNTZPVHOAT-UHFFFAOYSA-N 2 0 373.255 0.682 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001278101471 862186773 /nfs/dbraw/zinc/18/67/73/862186773.db2.gz LQOFOPUHHUCMAP-SFHVURJKSA-N 2 0 369.579 0.689 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001179014444 850945782 /nfs/dbraw/zinc/94/57/82/850945782.db2.gz IQBJNRASHVKULH-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001180793326 851067041 /nfs/dbraw/zinc/06/70/41/851067041.db2.gz NZFRDWUKKGWVMU-UHFFFAOYSA-N 2 0 356.471 0.000 20 0 FCADRP C[NH+]1CCC(O)(C(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001182034268 851147620 /nfs/dbraw/zinc/14/76/20/851147620.db2.gz SYPGMFHUHFWIMT-UHFFFAOYSA-N 2 0 355.479 0.541 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684569 851191898 /nfs/dbraw/zinc/19/18/98/851191898.db2.gz RKXJUIRKTQTMJL-BZUAXINKSA-N 2 0 359.536 0.730 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001185270299 851347681 /nfs/dbraw/zinc/34/76/81/851347681.db2.gz YYYFGXHGEGEMME-CPFIQGLUSA-N 2 0 364.474 0.895 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001185270300 851347988 /nfs/dbraw/zinc/34/79/88/851347988.db2.gz YYYFGXHGEGEMME-YDONVPIESA-N 2 0 364.474 0.895 20 0 FCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC001186106024 851411313 /nfs/dbraw/zinc/41/13/13/851411313.db2.gz KZBZESZSMPMGIX-INIZCTEOSA-N 3 0 356.511 0.213 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CC1CCC2(CC1)OCCO2 ZINC001278230757 862266687 /nfs/dbraw/zinc/26/66/87/862266687.db2.gz FINKWZFLTWUVAY-HDICACEKSA-N 2 0 353.507 0.866 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188644116 851715944 /nfs/dbraw/zinc/71/59/44/851715944.db2.gz YPGPQHCCDLYCGD-RCCFBDPRSA-N 2 0 351.491 0.402 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189479057 851794404 /nfs/dbraw/zinc/79/44/04/851794404.db2.gz XCILDTIIKXEUSS-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669317 851813968 /nfs/dbraw/zinc/81/39/68/851813968.db2.gz WPGYUADMDLXRJK-IXDOHACOSA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001189810857 851827197 /nfs/dbraw/zinc/82/71/97/851827197.db2.gz KALSWZLFSLNVDQ-FGTMMUONSA-N 2 0 353.507 0.914 20 0 FCADRP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229716 851879662 /nfs/dbraw/zinc/87/96/62/851879662.db2.gz NBSWIMUVUJVCCF-KSZLIROESA-N 2 0 353.507 0.648 20 0 FCADRP COC(=O)[C@@H](NC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1)C(C)C ZINC001190234530 851881347 /nfs/dbraw/zinc/88/13/47/851881347.db2.gz KDDWQUKBKLHQDK-INIZCTEOSA-N 2 0 354.495 0.853 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481293 851911113 /nfs/dbraw/zinc/91/11/13/851911113.db2.gz SNHOINKELYEMQU-OKZBNKHCSA-N 2 0 353.507 0.793 20 0 FCADRP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278426146 862323597 /nfs/dbraw/zinc/32/35/97/862323597.db2.gz KIBULSPYEHGYGQ-HUUCEWRRSA-N 2 0 368.547 0.340 20 0 FCADRP CCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278430963 862325836 /nfs/dbraw/zinc/32/58/36/862325836.db2.gz PXFFOESQUCZNOL-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001193596164 852456165 /nfs/dbraw/zinc/45/61/65/852456165.db2.gz CAZODWFADDHKPV-UHFFFAOYSA-N 2 0 371.463 0.447 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001194103226 852538533 /nfs/dbraw/zinc/53/85/33/852538533.db2.gz WNLBWLWFHBZLFP-HZPDHXFCSA-N 2 0 359.486 0.646 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996766 852689892 /nfs/dbraw/zinc/68/98/92/852689892.db2.gz FZWFDEVZDMCZCY-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CC1 ZINC001195214082 852725136 /nfs/dbraw/zinc/72/51/36/852725136.db2.gz FBMKYPRSSCYWGU-BRWVUGGUSA-N 2 0 353.507 0.837 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001195677229 852811562 /nfs/dbraw/zinc/81/15/62/852811562.db2.gz OQRQCNWHUVQVKD-ZACQAIPSSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2O)CC1 ZINC001197319498 853097578 /nfs/dbraw/zinc/09/75/78/853097578.db2.gz KGSAHMSCULUDAG-QZTJIDSGSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319703 853098070 /nfs/dbraw/zinc/09/80/70/853098070.db2.gz PTVKEXVEIKTSQV-KBAYOESNSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644479 853144367 /nfs/dbraw/zinc/14/43/67/853144367.db2.gz OFRAYZYODCPJPV-BMGDILEWSA-N 2 0 353.507 0.431 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O ZINC001198699371 853304065 /nfs/dbraw/zinc/30/40/65/853304065.db2.gz OSTPFQHVVBNVJE-CGTJXYLNSA-N 2 0 353.507 0.696 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370574 853415129 /nfs/dbraw/zinc/41/51/29/853415129.db2.gz YUKHXEIUWTVCKF-IAGOWNOFSA-N 2 0 357.495 0.077 20 0 FCADRP CCOC(=O)[C@H](C)NC(=S)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001199839264 853459251 /nfs/dbraw/zinc/45/92/51/853459251.db2.gz HJLZBTABRJRCMB-AWEZNQCLSA-N 2 0 356.536 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001200643941 853506931 /nfs/dbraw/zinc/50/69/31/853506931.db2.gz HAGGQRUSFDRBJF-DLBZAZTESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001205335419 853603962 /nfs/dbraw/zinc/60/39/62/853603962.db2.gz ZKRMZYIVTRYBQU-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1 ZINC001205449768 853610103 /nfs/dbraw/zinc/61/01/03/853610103.db2.gz ZZUXBUOGRKZHTK-DLBZAZTESA-N 2 0 353.438 0.280 20 0 FCADRP CC(C)[NH+]1CCC2(CN(C(=O)COCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205516465 853619080 /nfs/dbraw/zinc/61/90/80/853619080.db2.gz FUDHUKPSFNEFDF-DLBZAZTESA-N 2 0 353.507 0.912 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513113 853619111 /nfs/dbraw/zinc/61/91/11/853619111.db2.gz ANPLZNPXWXAWME-IXDOHACOSA-N 2 0 353.507 0.648 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(CC(C)(C)[NH+]1CCOCC1)CC2 ZINC001207303548 853801901 /nfs/dbraw/zinc/80/19/01/853801901.db2.gz ZRXGNDNPZGRPSH-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP CC(C)C(=O)N1CC[N@H+](CC2CC[NH2+]CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001207436444 853813008 /nfs/dbraw/zinc/81/30/08/853813008.db2.gz CISHCCRYLZAYGV-LJQANCHMSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545220 853822077 /nfs/dbraw/zinc/82/20/77/853822077.db2.gz KPZFVKSXRUWVBJ-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545219 853822438 /nfs/dbraw/zinc/82/24/38/853822438.db2.gz KPZFVKSXRUWVBJ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001207563043 853825589 /nfs/dbraw/zinc/82/55/89/853825589.db2.gz BKEFKYOOMAUBGZ-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653065 853835126 /nfs/dbraw/zinc/83/51/26/853835126.db2.gz WIIZFSSBRPYHIS-OIISXLGYSA-N 2 0 356.511 0.162 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001208070242 853890534 /nfs/dbraw/zinc/89/05/34/853890534.db2.gz HFHRPWDBOVTCOL-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070368 853890851 /nfs/dbraw/zinc/89/08/51/853890851.db2.gz KJPKWHVSRHWHQB-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208107452 853897678 /nfs/dbraw/zinc/89/76/78/853897678.db2.gz OBEBACFAEPVGSG-APWZRJJASA-N 2 0 353.507 0.772 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435261 853934369 /nfs/dbraw/zinc/93/43/69/853934369.db2.gz ZLZKVWFMVBMSSH-UKRRQHHQSA-N 2 0 366.531 0.997 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001209642896 854043784 /nfs/dbraw/zinc/04/37/84/854043784.db2.gz RMZCUMLLYIUXQV-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210033008 854071682 /nfs/dbraw/zinc/07/16/82/854071682.db2.gz FHMNQDTTXNELLI-HUUCEWRRSA-N 2 0 355.527 0.862 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001210486209 854114628 /nfs/dbraw/zinc/11/46/28/854114628.db2.gz OUECUXKXFOLDLL-NVXWUHKLSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094887 854157193 /nfs/dbraw/zinc/15/71/93/854157193.db2.gz WVXUYVOWZKAYGS-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349766 854179079 /nfs/dbraw/zinc/17/90/79/854179079.db2.gz KNKPVZLNCAFNBF-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353260 854448263 /nfs/dbraw/zinc/44/82/63/854448263.db2.gz NUMDVWGAMLOCPR-BRWVUGGUSA-N 2 0 359.486 0.908 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346539 854583660 /nfs/dbraw/zinc/58/36/60/854583660.db2.gz RLAZWIPGQHCONB-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378620 854594683 /nfs/dbraw/zinc/59/46/83/854594683.db2.gz ZICACSPEKKLRSZ-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1OC)[NH+](C)C ZINC001213457809 854625312 /nfs/dbraw/zinc/62/53/12/854625312.db2.gz DVOYRUXQDSWXCG-OWCLPIDISA-N 2 0 352.483 0.051 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC)C(C)C ZINC001213592778 854678291 /nfs/dbraw/zinc/67/82/91/854678291.db2.gz DTZOTMKAUPPRLW-BRWVUGGUSA-N 2 0 359.511 0.177 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213671581 854708492 /nfs/dbraw/zinc/70/84/92/854708492.db2.gz MXGFMAMQGUIUQQ-BRWVUGGUSA-N 2 0 359.511 0.177 20 0 FCADRP CO[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728814 854739638 /nfs/dbraw/zinc/73/96/38/854739638.db2.gz UHVSGXSEKPNFKW-IAGOWNOFSA-N 2 0 353.438 0.719 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCC1 ZINC001213730551 854740835 /nfs/dbraw/zinc/74/08/35/854740835.db2.gz QOBYIMAOEPEJMO-BRWVUGGUSA-N 2 0 357.495 0.195 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863270 854798003 /nfs/dbraw/zinc/79/80/03/854798003.db2.gz JCCXCGWUJPMFBL-BRWVUGGUSA-N 2 0 359.486 0.910 20 0 FCADRP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892761 854813990 /nfs/dbraw/zinc/81/39/90/854813990.db2.gz PHVXHCCYBJHVLS-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646847 854986050 /nfs/dbraw/zinc/98/60/50/854986050.db2.gz ZFYKXNQISFTEKD-HYVNUMGLSA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648721 854987168 /nfs/dbraw/zinc/98/71/68/854987168.db2.gz VBUYUIMORNQOGX-HYVNUMGLSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214847541 855021932 /nfs/dbraw/zinc/02/19/32/855021932.db2.gz IYLJPCVGTNASEJ-VXGBXAGGSA-N 2 0 366.491 0.397 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C)C1CC1 ZINC001214855897 855023024 /nfs/dbraw/zinc/02/30/24/855023024.db2.gz QWTMHUNQOPHKGL-MZMPZRCHSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214855605 855023431 /nfs/dbraw/zinc/02/34/31/855023431.db2.gz HXVZISMSEMLCGI-FVQBIDKESA-N 2 0 371.547 0.588 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855799 855023746 /nfs/dbraw/zinc/02/37/46/855023746.db2.gz OCHPPNBCXBJMQV-OIISXLGYSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001214990486 855048216 /nfs/dbraw/zinc/04/82/16/855048216.db2.gz RZBMRWZPCGBCSH-ZIAGYGMSSA-N 2 0 352.479 0.302 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001214997561 855049774 /nfs/dbraw/zinc/04/97/74/855049774.db2.gz JOUFEQANBKDOSI-QLFBSQMISA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215036021 855055602 /nfs/dbraw/zinc/05/56/02/855055602.db2.gz LWRWAIXPYLMNBL-BZUAXINKSA-N 2 0 359.536 0.588 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057140 855060331 /nfs/dbraw/zinc/06/03/31/855060331.db2.gz YKXXAEJHIAODMZ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215298923 855096346 /nfs/dbraw/zinc/09/63/46/855096346.db2.gz MZRBSUUWHHPMPN-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215388484 855107381 /nfs/dbraw/zinc/10/73/81/855107381.db2.gz FWNPWICQBMLSDM-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215407818 855111136 /nfs/dbraw/zinc/11/11/36/855111136.db2.gz SSTWASADFUPJSR-UMVBOHGHSA-N 2 0 350.463 0.868 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001215413346 855111626 /nfs/dbraw/zinc/11/16/26/855111626.db2.gz CFUVIGJADHCIRQ-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215416260 855112381 /nfs/dbraw/zinc/11/23/81/855112381.db2.gz RSUNVEOBFRKDQK-HUUCEWRRSA-N 2 0 352.523 0.927 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421276 855113191 /nfs/dbraw/zinc/11/31/91/855113191.db2.gz AEEQMDSYVDPROI-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001215458876 855117192 /nfs/dbraw/zinc/11/71/92/855117192.db2.gz NXMLQUYYFRLKQH-GDBMZVCRSA-N 2 0 350.463 0.626 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001215476418 855119537 /nfs/dbraw/zinc/11/95/37/855119537.db2.gz IKWCUEFUIMOBTR-YRGRVCCFSA-N 2 0 366.428 0.688 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](CC)CC ZINC001215519032 855123550 /nfs/dbraw/zinc/12/35/50/855123550.db2.gz VJJRCUVQZFVSKX-MCIONIFRSA-N 2 0 352.483 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539885 855126099 /nfs/dbraw/zinc/12/60/99/855126099.db2.gz BNHFIZCUMJGLKO-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215536087 855126662 /nfs/dbraw/zinc/12/66/62/855126662.db2.gz HQXVPWCDYQQCDY-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001216099236 855169497 /nfs/dbraw/zinc/16/94/97/855169497.db2.gz LGFMDZLNVBJTQI-IJEWVQPXSA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001216384109 855197463 /nfs/dbraw/zinc/19/74/63/855197463.db2.gz YDZKRYUKIXXPQK-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401570 855199301 /nfs/dbraw/zinc/19/93/01/855199301.db2.gz MSBQUGLDIOAGGR-UKRRQHHQSA-N 2 0 352.483 0.121 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001216410366 855200315 /nfs/dbraw/zinc/20/03/15/855200315.db2.gz XGESLYACFVONNK-IXDOHACOSA-N 2 0 351.491 0.714 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409257 855200442 /nfs/dbraw/zinc/20/04/42/855200442.db2.gz DRESTYOORBVHOY-HUUCEWRRSA-N 2 0 357.520 0.344 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216464885 855205796 /nfs/dbraw/zinc/20/57/96/855205796.db2.gz UZKOGPOIRSLAHD-IXDOHACOSA-N 2 0 359.511 0.179 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001216511020 855209402 /nfs/dbraw/zinc/20/94/02/855209402.db2.gz IUVCAUSGERWBIA-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001216754166 855232807 /nfs/dbraw/zinc/23/28/07/855232807.db2.gz JRVBJELGPYITEF-MRVWCRGKSA-N 2 0 365.503 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216838733 855254308 /nfs/dbraw/zinc/25/43/08/855254308.db2.gz DBXYYOGOPIIEQW-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216852108 855259647 /nfs/dbraw/zinc/25/96/47/855259647.db2.gz PAMCQNMXBFMPCQ-HUUCEWRRSA-N 2 0 362.540 0.045 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216852395 855260640 /nfs/dbraw/zinc/26/06/40/855260640.db2.gz XVLGSXSIEBAZDU-BZUAXINKSA-N 2 0 359.536 0.588 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853880 855260792 /nfs/dbraw/zinc/26/07/92/855260792.db2.gz NUOMEZCGSKDNGW-BZUAXINKSA-N 2 0 356.511 0.304 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217950324 855384864 /nfs/dbraw/zinc/38/48/64/855384864.db2.gz YROJHOFDACJRSV-UWVGGRQHSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218113661 855398377 /nfs/dbraw/zinc/39/83/77/855398377.db2.gz CLZVQPOFOSOLGH-DYZYQPBXSA-N 2 0 350.419 0.282 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001218290584 855412333 /nfs/dbraw/zinc/41/23/33/855412333.db2.gz AHORWWGHCMSKIN-NSHDSACASA-N 2 0 352.435 0.622 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001218290582 855412367 /nfs/dbraw/zinc/41/23/67/855412367.db2.gz AHORWWGHCMSKIN-LLVKDONJSA-N 2 0 352.435 0.622 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533618 855435585 /nfs/dbraw/zinc/43/55/85/855435585.db2.gz QFFXPVIXFKIORZ-AXFHLTTASA-N 2 0 353.492 0.776 20 0 FCADRP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218563948 855440274 /nfs/dbraw/zinc/44/02/74/855440274.db2.gz VBPDJBCWJWMIFV-GFCCVEGCSA-N 2 0 352.460 0.501 20 0 FCADRP Nc1c(F)cnc(Br)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218572101 855442900 /nfs/dbraw/zinc/44/29/00/855442900.db2.gz UCPOTHGITDMRGB-LURJTMIESA-N 2 0 352.233 0.523 20 0 FCADRP CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ncn1 ZINC001218578624 855443636 /nfs/dbraw/zinc/44/36/36/855443636.db2.gz XTUZYXBIDGDILE-VIFPVBQESA-N 2 0 356.452 0.781 20 0 FCADRP COC(=O)c1ccnc(Cl)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218593017 855445571 /nfs/dbraw/zinc/44/55/71/855445571.db2.gz MQFBKGVBFUJXDV-NSHDSACASA-N 2 0 355.826 0.211 20 0 FCADRP Nc1cc(Cl)cnc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218628270 855452809 /nfs/dbraw/zinc/45/28/09/855452809.db2.gz FSXBEJAQZFXAGM-AAEUAGOBSA-N 2 0 368.869 0.703 20 0 FCADRP CCOC(=O)c1sc(SC)nc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218634272 855453874 /nfs/dbraw/zinc/45/38/74/855453874.db2.gz RCKJSLIZTXCJLW-ZETCQYMHSA-N 2 0 364.518 0.999 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645642 855457491 /nfs/dbraw/zinc/45/74/91/855457491.db2.gz KYWQKPYBTGTPRA-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP COC(=O)c1nc(Br)sc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218779233 855478332 /nfs/dbraw/zinc/47/83/32/855478332.db2.gz WYGXEOGXXFESIQ-YFKPBYRVSA-N 2 0 351.226 0.697 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001218805460 855481184 /nfs/dbraw/zinc/48/11/84/855481184.db2.gz XBUOAKYYYXVOKX-CYBMUJFWSA-N 2 0 364.841 0.005 20 0 FCADRP COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218822075 855483285 /nfs/dbraw/zinc/48/32/85/855483285.db2.gz MFABSSDSOXKXCV-AWEZNQCLSA-N 2 0 350.419 0.171 20 0 FCADRP C[NH+]1CCC(c2ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc2)CC1 ZINC001218824036 855483363 /nfs/dbraw/zinc/48/33/63/855483363.db2.gz YCOAXLCVOXBZNA-UHFFFAOYSA-N 2 0 368.503 0.655 20 0 FCADRP CNS(=O)(=O)CCc1ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218892956 855491973 /nfs/dbraw/zinc/49/19/73/855491973.db2.gz XJCFFRSSOLXABE-AWEZNQCLSA-N 2 0 356.492 0.563 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218913626 855494585 /nfs/dbraw/zinc/49/45/85/855494585.db2.gz NOTJZQVAHWVQKM-ZDUSSCGKSA-N 2 0 357.480 0.350 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]21 ZINC001218971293 855505273 /nfs/dbraw/zinc/50/52/73/855505273.db2.gz WIAWBWJKGBGCDI-ZWKOTPCHSA-N 2 0 351.491 0.977 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CC1 ZINC001219033402 855518570 /nfs/dbraw/zinc/51/85/70/855518570.db2.gz JOROXDXXBXBGBC-OKZBNKHCSA-N 2 0 351.491 0.809 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1O ZINC001219275903 855613664 /nfs/dbraw/zinc/61/36/64/855613664.db2.gz CYJMNMPECLJCNM-LLVKDONJSA-N 2 0 362.352 0.980 20 0 FCADRP COCCNc1cccc(F)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219297023 855621205 /nfs/dbraw/zinc/62/12/05/855621205.db2.gz GDSRMPUWKDQSTM-AWEZNQCLSA-N 2 0 353.442 0.573 20 0 FCADRP COC(=O)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1cc(Cl)ccc1N ZINC001219512499 855699374 /nfs/dbraw/zinc/69/93/74/855699374.db2.gz WBZDWHQATYDDDQ-LBPRGKRZSA-N 2 0 374.894 0.838 20 0 FCADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NCC[NH+](C)C)cc1 ZINC001219553730 855711730 /nfs/dbraw/zinc/71/17/30/855711730.db2.gz ITOLGNLPQMWIRE-INIZCTEOSA-N 2 0 370.519 0.449 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567573 855717947 /nfs/dbraw/zinc/71/79/47/855717947.db2.gz PBKAAPFIGNCJKK-QGZVFWFLSA-N 2 0 350.463 0.080 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589419 855724522 /nfs/dbraw/zinc/72/45/22/855724522.db2.gz OHGQFMURPRIDDD-YTFOTSKYSA-N 2 0 358.552 0.854 20 0 FCADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C[NH2+]1 ZINC001219684226 855770715 /nfs/dbraw/zinc/77/07/15/855770715.db2.gz LKXNXOAZOJKIAW-FVQBIDKESA-N 2 0 364.515 0.478 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219731867 855789661 /nfs/dbraw/zinc/78/96/61/855789661.db2.gz INZLHQZOQTZZTA-MJBXVCDLSA-N 2 0 351.413 0.873 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732173 855789904 /nfs/dbraw/zinc/78/99/04/855789904.db2.gz PKIKIYLWVPTUIG-ZACQAIPSSA-N 2 0 359.486 0.644 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219741752 855795124 /nfs/dbraw/zinc/79/51/24/855795124.db2.gz SSNJLECPPARRFT-BXWFABGCSA-N 2 0 351.491 0.953 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219794383 855816169 /nfs/dbraw/zinc/81/61/69/855816169.db2.gz YFYIPHRMQWCXJD-KRWDZBQOSA-N 3 0 350.507 0.335 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814182 855829285 /nfs/dbraw/zinc/82/92/85/855829285.db2.gz WUXPAXGYXQIFIO-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219823505 855832056 /nfs/dbraw/zinc/83/20/56/855832056.db2.gz QUSRFQFDRGKNGT-STQMWFEESA-N 2 0 369.512 0.423 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823324 855832081 /nfs/dbraw/zinc/83/20/81/855832081.db2.gz PFRWZJJPTRXCLQ-KBPBESRZSA-N 3 0 350.488 0.461 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854683 855847457 /nfs/dbraw/zinc/84/74/57/855847457.db2.gz PTFJKDZUFBEFIV-VPOLOUISSA-N 2 0 360.277 0.483 20 0 FCADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001251 855913155 /nfs/dbraw/zinc/91/31/55/855913155.db2.gz NHGQDXRCCOGCKW-AWEZNQCLSA-N 2 0 353.850 0.882 20 0 FCADRP N=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)SCC[NH3+] ZINC001220106546 855963825 /nfs/dbraw/zinc/96/38/25/855963825.db2.gz RIQAFLGJRNRMPF-KBPBESRZSA-N 2 0 363.487 0.209 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316379 856061334 /nfs/dbraw/zinc/06/13/34/856061334.db2.gz OULJLPBOGQHOJF-YEWWUXTCSA-N 2 0 353.463 0.607 20 0 FCADRP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220386533 856100739 /nfs/dbraw/zinc/10/07/39/856100739.db2.gz YLVNVEPYPRTJAE-GJZGRUSLSA-N 3 0 355.527 0.280 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)O1 ZINC001220481648 856147752 /nfs/dbraw/zinc/14/77/52/856147752.db2.gz MHHOEMUDHPSLTK-GRLWTPEZSA-N 2 0 355.479 0.376 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccc2c(c1)COC(C)(C)O2 ZINC001220517296 856163627 /nfs/dbraw/zinc/16/36/27/856163627.db2.gz FSUHGLOAZJODIA-HNNXBMFYSA-N 2 0 350.463 0.208 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001220519717 856164560 /nfs/dbraw/zinc/16/45/60/856164560.db2.gz ZCLVKBVBJNBARQ-INIZCTEOSA-N 2 0 370.519 0.193 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)c1ccc(Br)cc1 ZINC001220607938 856204959 /nfs/dbraw/zinc/20/49/59/856204959.db2.gz QBYPRNMFRYWJPX-CXTNEJHOSA-N 2 0 353.264 0.787 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001220610374 856205675 /nfs/dbraw/zinc/20/56/75/856205675.db2.gz MVRSOQWPBAUYMT-KGLIPLIRSA-N 3 0 355.280 0.892 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001220624139 856210492 /nfs/dbraw/zinc/21/04/92/856210492.db2.gz FOBCUQVLYGRDQG-NWDGAFQWSA-N 2 0 351.394 0.874 20 0 FCADRP CCCC[C@](CC)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220638439 856215455 /nfs/dbraw/zinc/21/54/55/856215455.db2.gz SPXVFIPTDJZHHX-YJBOKZPZSA-N 2 0 356.511 0.755 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001220768636 856291316 /nfs/dbraw/zinc/29/13/16/856291316.db2.gz WFPDWQDHAKWESR-ZNMIVQPWSA-N 2 0 363.449 0.551 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220822099 856323278 /nfs/dbraw/zinc/32/32/78/856323278.db2.gz OBJCVJPSBHIQPO-OLZOCXBDSA-N 2 0 355.401 0.459 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccc(Cl)cc23)C[NH2+]C1 ZINC001220851071 856336755 /nfs/dbraw/zinc/33/67/55/856336755.db2.gz GJCIPBQXDPBEBA-ZDUSSCGKSA-N 2 0 364.833 0.712 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898278 856363176 /nfs/dbraw/zinc/36/31/76/856363176.db2.gz DPDCDORMUSJMEM-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982994 856405299 /nfs/dbraw/zinc/40/52/99/856405299.db2.gz VBWUQCBGLASTFF-CQSZACIVSA-N 2 0 351.426 0.378 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])CCOCC2)c1 ZINC001220990213 856410051 /nfs/dbraw/zinc/41/00/51/856410051.db2.gz CQNFJICWQNWDJD-HNNXBMFYSA-N 2 0 350.463 0.711 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221005054 856418186 /nfs/dbraw/zinc/41/81/86/856418186.db2.gz VKMBZTRRSOMYAA-VGWMRTNUSA-N 2 0 354.495 0.426 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001221081398 856452734 /nfs/dbraw/zinc/45/27/34/856452734.db2.gz JSWDCJTZGWJSMT-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2)c1 ZINC001221091819 856459244 /nfs/dbraw/zinc/45/92/44/856459244.db2.gz GCWBCWKCNQBXMX-OWJWWREXSA-N 2 0 353.488 0.568 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001221254177 856529781 /nfs/dbraw/zinc/52/97/81/856529781.db2.gz IHHMDRMCUIZGES-JKSUJKDBSA-N 2 0 364.515 0.431 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CNCCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262790 856532690 /nfs/dbraw/zinc/53/26/90/856532690.db2.gz PPAQLLOWTPLCPT-SECBINFHSA-N 2 0 364.418 0.216 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1ccccc1 ZINC001221272175 856534453 /nfs/dbraw/zinc/53/44/53/856534453.db2.gz XXUHBZSPLJGMEB-XNIFBDIYSA-N 2 0 362.458 0.600 20 0 FCADRP Cn1ncc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(Br)c1=O ZINC001221401099 856557592 /nfs/dbraw/zinc/55/75/92/856557592.db2.gz CDDLOJFJWASYRG-SECBINFHSA-N 2 0 370.251 0.356 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1csc(N2CC[NH2+]CC2)n1 ZINC001221399784 856558408 /nfs/dbraw/zinc/55/84/08/856558408.db2.gz UGZMRHNPHNJVGK-HNNXBMFYSA-N 2 0 357.483 0.997 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)c2csc(N3CC[NH2+]CC3)n2)c1 ZINC001221403544 856559309 /nfs/dbraw/zinc/55/93/09/856559309.db2.gz IBWFBWJSIHWCRF-AWEZNQCLSA-N 2 0 361.471 0.991 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642650 856636038 /nfs/dbraw/zinc/63/60/38/856636038.db2.gz BXQYDMNJTUGIGV-IXDOHACOSA-N 2 0 351.491 0.402 20 0 FCADRP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018155 856768662 /nfs/dbraw/zinc/76/86/62/856768662.db2.gz PNWJTSGSXBFCDV-KZNAEPCWSA-N 2 0 353.507 0.912 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026878 856776236 /nfs/dbraw/zinc/77/62/36/856776236.db2.gz CMDRGVFMVASGAH-FGTMMUONSA-N 2 0 353.507 0.793 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058581 856894061 /nfs/dbraw/zinc/89/40/61/856894061.db2.gz SWTGKYQDWSBGFP-ZACQAIPSSA-N 2 0 351.491 0.545 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354666 856910688 /nfs/dbraw/zinc/91/06/88/856910688.db2.gz OZEWJDOIZMNWIS-RZFLPCETSA-N 2 0 353.507 0.647 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223378067 856912074 /nfs/dbraw/zinc/91/20/74/856912074.db2.gz CVKBVOPAUAFURU-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505619 856922222 /nfs/dbraw/zinc/92/22/22/856922222.db2.gz KUQBBLAVYYUICN-KSZLIROESA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC[C@@H]3CCOC3)[C@H]2C1 ZINC001223916250 856951024 /nfs/dbraw/zinc/95/10/24/856951024.db2.gz CPDXDTXQRZLIED-KURKYZTESA-N 2 0 353.507 0.914 20 0 FCADRP Cc1oncc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916245 856951226 /nfs/dbraw/zinc/95/12/26/856951226.db2.gz CKRUCRZQCFJLPY-WBVHZDCISA-N 2 0 350.463 0.984 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224245909 856973964 /nfs/dbraw/zinc/97/39/64/856973964.db2.gz KJPHHDIOSVYHSI-WBVHZDCISA-N 2 0 350.507 0.776 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028527 857138515 /nfs/dbraw/zinc/13/85/15/857138515.db2.gz HOBZXSWPTXEREA-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001227150562 857146514 /nfs/dbraw/zinc/14/65/14/857146514.db2.gz UGWVTEZJCGMUCE-HUUCEWRRSA-N 2 0 353.511 0.759 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)CCO1 ZINC001228355477 857205839 /nfs/dbraw/zinc/20/58/39/857205839.db2.gz PJPYOBAZDMDDKI-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001228365343 857206655 /nfs/dbraw/zinc/20/66/55/857206655.db2.gz CFHPYONACUGPHU-VXGBXAGGSA-N 2 0 354.480 0.445 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229524719 857273232 /nfs/dbraw/zinc/27/32/32/857273232.db2.gz REVWJWOLFLKFPK-MGPQQGTHSA-N 2 0 355.483 0.189 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)Nc1nncs1 ZINC001230141849 857306912 /nfs/dbraw/zinc/30/69/12/857306912.db2.gz VVOJWVDUFDMYLC-CHWSQXEVSA-N 2 0 366.491 0.589 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230274663 857322329 /nfs/dbraw/zinc/32/23/29/857322329.db2.gz FEPGVHHQHWYAAV-MGPQQGTHSA-N 2 0 353.467 0.073 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284383 857322628 /nfs/dbraw/zinc/32/26/28/857322628.db2.gz BIKJMTFBNJYVKN-HZPDHXFCSA-N 2 0 356.511 0.496 20 0 FCADRP Cc1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Br)s1 ZINC001235869744 857432194 /nfs/dbraw/zinc/43/21/94/857432194.db2.gz GAKVOFCSVJUXGJ-UHFFFAOYSA-N 2 0 362.341 0.798 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1OC(C)=O ZINC001235868928 857432445 /nfs/dbraw/zinc/43/24/45/857432445.db2.gz HDFZAIFKEGJHOT-UHFFFAOYSA-N 2 0 350.463 0.205 20 0 FCADRP COC(=O)c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1OC ZINC001235871121 857433374 /nfs/dbraw/zinc/43/33/74/857433374.db2.gz PGMSNNACSRBNKR-UHFFFAOYSA-N 2 0 350.463 0.066 20 0 FCADRP COC(=O)c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(OC)c1 ZINC001235874170 857433528 /nfs/dbraw/zinc/43/35/28/857433528.db2.gz MADKTXJENWWPFD-UHFFFAOYSA-N 2 0 350.463 0.066 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024951 857435741 /nfs/dbraw/zinc/43/57/41/857435741.db2.gz SSVICVLLLFWKGU-UZVBGSJOSA-N 3 0 357.445 0.808 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn2ccc(Cl)cc2n1 ZINC001236311973 857439962 /nfs/dbraw/zinc/43/99/62/857439962.db2.gz MKMBIIMMDDERMY-UHFFFAOYSA-N 2 0 352.870 0.604 20 0 FCADRP Cc1cc(OC(C)C)ncc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311664 857439998 /nfs/dbraw/zinc/43/99/98/857439998.db2.gz KHZVJAMDOAZXHF-UHFFFAOYSA-N 2 0 351.495 0.793 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2nsnc2c1 ZINC001238239028 857464986 /nfs/dbraw/zinc/46/49/86/857464986.db2.gz BHNHUTPUQSGNJB-NSHDSACASA-N 2 0 367.500 0.844 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238240365 857465434 /nfs/dbraw/zinc/46/54/34/857465434.db2.gz HRWOXZOXFCDEPY-AWEZNQCLSA-N 2 0 367.471 0.626 20 0 FCADRP O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cc2o1 ZINC001238243743 857466079 /nfs/dbraw/zinc/46/60/79/857466079.db2.gz VYNYPIORNXBNHE-LLVKDONJSA-N 2 0 366.443 0.686 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(CN2CCOCC2)cc1 ZINC001238394273 857470921 /nfs/dbraw/zinc/47/09/21/857470921.db2.gz LYZMKUHBENZKOG-UHFFFAOYSA-N 2 0 367.515 0.938 20 0 FCADRP [NH3+]CCC[C@H](NS(=O)(=O)C1CC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC001238836308 857482637 /nfs/dbraw/zinc/48/26/37/857482637.db2.gz PAKNASDAYVDKIN-INIZCTEOSA-N 2 0 369.487 0.509 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001239075964 857505202 /nfs/dbraw/zinc/50/52/02/857505202.db2.gz LSZHPBMSZKKOIR-ROUUACIJSA-N 2 0 364.515 0.775 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502806 862918933 /nfs/dbraw/zinc/91/89/33/862918933.db2.gz XTBTXQCZWQQYQR-YESZJQIVSA-N 2 0 358.552 0.778 20 0 FCADRP Cc1ccc2c(n1)N(Cc1cccnc1)CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239082009 857509447 /nfs/dbraw/zinc/50/94/47/857509447.db2.gz OOYCUZJYGRYQNI-UHFFFAOYSA-N 2 0 361.471 0.896 20 0 FCADRP CCOc1ccc(Br)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097350 857513674 /nfs/dbraw/zinc/51/36/74/857513674.db2.gz QEEZYWJJRVAMGU-UHFFFAOYSA-N 2 0 366.281 0.756 20 0 FCADRP COc1cc(Br)ccc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097819 857513855 /nfs/dbraw/zinc/51/38/55/857513855.db2.gz ZIXVRPPCKMYEHJ-UHFFFAOYSA-N 2 0 352.254 0.366 20 0 FCADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c(C)c1 ZINC001239131547 857518079 /nfs/dbraw/zinc/51/80/79/857518079.db2.gz QKMFIBJXMDIZMZ-UHFFFAOYSA-N 2 0 356.492 0.108 20 0 FCADRP C[NH+]1CCC(CN2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC001239142988 857522361 /nfs/dbraw/zinc/52/23/61/857522361.db2.gz CUWZOFNVNPIFPJ-UHFFFAOYSA-N 2 0 358.552 0.275 20 0 FCADRP [NH3+]CCNC(=S)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239376789 857526810 /nfs/dbraw/zinc/52/68/10/857526810.db2.gz RWSZTXRUBVNJSI-HUUCEWRRSA-N 2 0 350.488 0.868 20 0 FCADRP COc1ccccc1NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239451794 857529415 /nfs/dbraw/zinc/52/94/15/857529415.db2.gz MMBQQPHFRGELPV-UHFFFAOYSA-N 2 0 353.492 0.508 20 0 FCADRP C[C@@H](NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1ccccc1 ZINC001239451009 857530237 /nfs/dbraw/zinc/53/02/37/857530237.db2.gz JBFPQOADUUMKFZ-CQSZACIVSA-N 2 0 351.520 0.738 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-c3ccc4c(c3)CC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001240452670 857534663 /nfs/dbraw/zinc/53/46/63/857534663.db2.gz JIGIDDNPRKJEDY-UHFFFAOYSA-N 2 0 358.467 0.881 20 0 FCADRP COC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245975921 857561738 /nfs/dbraw/zinc/56/17/38/857561738.db2.gz BMIKYGRLEBMJHV-HRCADAONSA-N 2 0 359.417 0.456 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001245977382 857561841 /nfs/dbraw/zinc/56/18/41/857561841.db2.gz VWKPDPSACHXLJQ-RYQLBKOJSA-N 2 0 356.438 0.267 20 0 FCADRP [NH3+]C[C@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001246000911 857562983 /nfs/dbraw/zinc/56/29/83/857562983.db2.gz MNYOOLXGNOEZGB-GJZGRUSLSA-N 2 0 372.307 0.904 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001246048644 857566774 /nfs/dbraw/zinc/56/67/74/857566774.db2.gz ZGZVGURQYHDVFU-CKIDTQIGSA-N 2 0 350.459 0.521 20 0 FCADRP O=C([C@@H]1C[C@@H](NC[C@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246110993 857568963 /nfs/dbraw/zinc/56/89/63/857568963.db2.gz JSMUAXZAHSZPMQ-MDZLAQPJSA-N 2 0 352.426 0.381 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1C(=O)OC ZINC001246138161 857569573 /nfs/dbraw/zinc/56/95/73/857569573.db2.gz ATXOHVHWXQHQRU-XQLPTFJDSA-N 2 0 353.463 0.191 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N[C@@H]3CCCC[C@@]34C[NH2+]CCO4)C[C@H](C1)[NH2+]2 ZINC001246158674 857569973 /nfs/dbraw/zinc/56/99/73/857569973.db2.gz GTQDCISTMUMBDN-MJZCMUOFSA-N 2 0 351.491 0.949 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CN1)N1CCSC1 ZINC001246185678 857570394 /nfs/dbraw/zinc/57/03/94/857570394.db2.gz VIUDSJJQHVSRCH-XHSDSOJGSA-N 2 0 368.547 0.388 20 0 FCADRP CCC(CC)[C@@H]([NH2+][C@@H]1CCNC(=O)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246416636 857577073 /nfs/dbraw/zinc/57/70/73/857577073.db2.gz SKAZLEAZVKGBJO-CHBVHBROSA-N 2 0 355.479 0.157 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCN[C@@H](C(F)(F)F)C1)C2 ZINC001246674358 857589563 /nfs/dbraw/zinc/58/95/63/857589563.db2.gz RXNGWBOCGRUEIC-HHULCRSBSA-N 2 0 361.408 1.000 20 0 FCADRP C(O[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246713245 857594278 /nfs/dbraw/zinc/59/42/78/857594278.db2.gz DRPSIXUAWLCORX-XMTFNYHQSA-N 2 0 351.491 0.223 20 0 FCADRP COCCN1CC2(CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)[C@H](COC)C1=O ZINC001246747704 857596871 /nfs/dbraw/zinc/59/68/71/857596871.db2.gz MNMQSJANOJUXIP-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246925736 857606629 /nfs/dbraw/zinc/60/66/29/857606629.db2.gz PDWRZKLDCMPWSY-HNNXBMFYSA-N 2 0 354.445 0.938 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CN[C@@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007264 857609105 /nfs/dbraw/zinc/60/91/05/857609105.db2.gz KBJZTCVMWSVUGH-QWQRMKEZSA-N 2 0 353.463 0.145 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251365586 857720291 /nfs/dbraw/zinc/72/02/91/857720291.db2.gz KKESUZPVEGXQNS-GOSISDBHSA-N 2 0 356.511 0.585 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001251453777 857724542 /nfs/dbraw/zinc/72/45/42/857724542.db2.gz STNLLLHIEQSTHT-GOSISDBHSA-N 2 0 357.495 0.652 20 0 FCADRP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416378 857798879 /nfs/dbraw/zinc/79/88/79/857798879.db2.gz XDPXTVMCZMWHRN-GDBMZVCRSA-N 2 0 352.431 0.869 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001253184333 857869556 /nfs/dbraw/zinc/86/95/56/857869556.db2.gz DXKFXPYUOUQILE-BDXSIMOUSA-N 2 0 355.523 0.798 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1=O ZINC001254237260 857949456 /nfs/dbraw/zinc/94/94/56/857949456.db2.gz KWGQDTNYUFPXAP-LLVKDONJSA-N 2 0 360.415 0.050 20 0 FCADRP CS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254857087 857989333 /nfs/dbraw/zinc/98/93/33/857989333.db2.gz NRFUJMQOJNEKQW-NXOAAHMSSA-N 2 0 357.520 0.499 20 0 FCADRP C[NH+](C)CCN1CC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)CCC1=O ZINC001255986768 858044961 /nfs/dbraw/zinc/04/49/61/858044961.db2.gz KFSVUUQDKQDDMY-UHFFFAOYSA-N 2 0 364.412 0.636 20 0 FCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N(C2CC[NH+](C)CC2)S(C)(=O)=O)cn1 ZINC001256203387 858057077 /nfs/dbraw/zinc/05/70/77/858057077.db2.gz HDMVXHQZWCVAIQ-JKSUJKDBSA-N 2 0 355.508 0.049 20 0 FCADRP O=C([C@H]1CCCO1)N1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256689717 858095350 /nfs/dbraw/zinc/09/53/50/858095350.db2.gz ZSZZNKXTRHJKAM-DAWZGUTISA-N 2 0 351.491 0.953 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CC3(C2)C[NH+](CC2CC[NH+](C)CC2)C3)c1 ZINC001279628280 862986394 /nfs/dbraw/zinc/98/63/94/862986394.db2.gz OBBPHCCNUJHOHN-UHFFFAOYSA-N 2 0 353.492 0.068 20 0 FCADRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257229732 858128068 /nfs/dbraw/zinc/12/80/68/858128068.db2.gz QLAPXUDISCWXPY-CYBMUJFWSA-N 2 0 364.512 0.590 20 0 FCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001261028510 858438360 /nfs/dbraw/zinc/43/83/60/858438360.db2.gz HWQXPNHDXXDERU-UHFFFAOYSA-N 2 0 355.508 0.675 20 0 FCADRP CSC1(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764507 859206497 /nfs/dbraw/zinc/20/64/97/859206497.db2.gz LFVNSJYQBUFIGB-HUUCEWRRSA-N 2 0 357.568 0.747 20 0 FCADRP CCN(CC[NH2+][C@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451132 859533260 /nfs/dbraw/zinc/53/32/60/859533260.db2.gz DVAUTDFUAHELAG-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001270155043 859668630 /nfs/dbraw/zinc/66/86/30/859668630.db2.gz DIOAUNMMWUDQIE-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651464 859984785 /nfs/dbraw/zinc/98/47/85/859984785.db2.gz UIRFALRQMFVOAR-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001271658690 859988355 /nfs/dbraw/zinc/98/83/55/859988355.db2.gz TZPVTWBFJPVMPD-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CO)n3ccnc3)[C@@H]2C1 ZINC001272468335 860161152 /nfs/dbraw/zinc/16/11/52/860161152.db2.gz YAXFXQIKKQCHSP-ZNMIVQPWSA-N 2 0 361.471 0.914 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001272744865 860245074 /nfs/dbraw/zinc/24/50/74/860245074.db2.gz LNOQLBSMBLCSSI-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1=O ZINC001272820169 860270519 /nfs/dbraw/zinc/27/05/19/860270519.db2.gz FAPSKIIHXMPHED-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCC1)C2 ZINC001273120613 860382140 /nfs/dbraw/zinc/38/21/40/860382140.db2.gz ICFOYHUNIRECIP-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001273192851 860406347 /nfs/dbraw/zinc/40/63/47/860406347.db2.gz SIITXJMIJZKOKS-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001273453155 860493919 /nfs/dbraw/zinc/49/39/19/860493919.db2.gz HRALCINMALATLC-HZPDHXFCSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001273515069 860515560 /nfs/dbraw/zinc/51/55/60/860515560.db2.gz PXXVZDWSTAWDJK-CHWSQXEVSA-N 2 0 368.507 0.597 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001274408649 860745272 /nfs/dbraw/zinc/74/52/72/860745272.db2.gz OYRUGPOSENAWJO-ROUUACIJSA-N 2 0 352.523 0.726 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511698 861118386 /nfs/dbraw/zinc/11/83/86/861118386.db2.gz NGOHKYGYVXPYCP-LJQANCHMSA-N 2 0 352.523 0.977 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556130 861127533 /nfs/dbraw/zinc/12/75/33/861127533.db2.gz GVSWKTOAKQTHKP-IBGZPJMESA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C(N)=O)N1CCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001275556440 861127591 /nfs/dbraw/zinc/12/75/91/861127591.db2.gz KVIDARKYSUAICA-INIZCTEOSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)(C)C(=O)CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737660 861180733 /nfs/dbraw/zinc/18/07/33/861180733.db2.gz NEBRUZPBXIHJMZ-LJQANCHMSA-N 2 0 351.491 0.905 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736712 861180901 /nfs/dbraw/zinc/18/09/01/861180901.db2.gz GKRFASQQIRJBMU-QAPCUYQASA-N 2 0 353.463 0.241 20 0 FCADRP COCCOCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738285 861181409 /nfs/dbraw/zinc/18/14/09/861181409.db2.gz XUFMYQULPDEDND-SFHVURJKSA-N 2 0 355.479 0.157 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(Cc2ccnnc2)C3)CC1 ZINC001279858847 863101973 /nfs/dbraw/zinc/10/19/73/863101973.db2.gz ANWIHFHMTZUBHH-MRXNPFEDSA-N 2 0 361.515 0.995 20 0 FCADRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N3CCOCC3)(C1)CCC2 ZINC001280020588 863192248 /nfs/dbraw/zinc/19/22/48/863192248.db2.gz GVQJJHDQKNMBBG-MSOLQXFVSA-N 2 0 355.479 0.490 20 0 FCADRP CN1CCC([N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001280071246 863242758 /nfs/dbraw/zinc/24/27/58/863242758.db2.gz OFCQTMDUMYOJEM-IBGZPJMESA-N 2 0 351.539 0.299 20 0 FCADRP CC(C)OCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280082010 863251281 /nfs/dbraw/zinc/25/12/81/863251281.db2.gz CMLPODQVJQSHLO-IAGOWNOFSA-N 2 0 352.523 0.485 20 0 FCADRP CCOC(=O)CC[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280091207 863260510 /nfs/dbraw/zinc/26/05/10/863260510.db2.gz JXQRJMIMLCFKHB-HNNXBMFYSA-N 2 0 369.531 0.958 20 0 FCADRP COCCN(C)C(=O)[C@H]1COCCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001280126564 863278342 /nfs/dbraw/zinc/27/83/42/863278342.db2.gz WIIAAWBNRRBWAR-QGZVFWFLSA-N 2 0 353.507 0.772 20 0 FCADRP O=C([C@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2)N1CC2(CC(O)C2)C1 ZINC001280134223 863285882 /nfs/dbraw/zinc/28/58/82/863285882.db2.gz AKOUQMKHIOIDFR-MRXNPFEDSA-N 2 0 365.543 0.777 20 0 FCADRP C[C@@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001280136106 863286881 /nfs/dbraw/zinc/28/68/81/863286881.db2.gz BHMYODMPTNXVKP-LLVKDONJSA-N 2 0 356.421 0.519 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)C[C@@H](C)O1 ZINC001280137510 863289449 /nfs/dbraw/zinc/28/94/49/863289449.db2.gz JKYHQWWFKQYXBV-INMHGKMJSA-N 2 0 351.491 0.855 20 0 FCADRP C[NH+]1CCC(CC[NH2+]C23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)CC1 ZINC001280142637 863292781 /nfs/dbraw/zinc/29/27/81/863292781.db2.gz XPJANIZWXQXBRQ-UHFFFAOYSA-N 2 0 357.520 0.391 20 0 FCADRP COCCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@H]12 ZINC001280142878 863293440 /nfs/dbraw/zinc/29/34/40/863293440.db2.gz XPQOHGXSUARTDE-JKSUJKDBSA-N 2 0 352.479 0.510 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]12 ZINC001280192617 863322017 /nfs/dbraw/zinc/32/20/17/863322017.db2.gz LUZZLVSUHHAJRY-OWCLPIDISA-N 2 0 352.479 0.652 20 0 FCADRP C[NH+]1CCC(C)(C[NH2+]C23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)CC1 ZINC001280211417 863340546 /nfs/dbraw/zinc/34/05/46/863340546.db2.gz SSGRDDWBRXIODS-UHFFFAOYSA-N 2 0 357.520 0.391 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001280218129 863343459 /nfs/dbraw/zinc/34/34/59/863343459.db2.gz FSEMCEAXSMUZRB-KSZLIROESA-N 2 0 350.507 0.334 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1)[NH+](C)C ZINC001282304223 864179508 /nfs/dbraw/zinc/17/95/08/864179508.db2.gz IAQDNRYETHTFCB-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001308257023 866709898 /nfs/dbraw/zinc/70/98/98/866709898.db2.gz RGOUIVNJXZJBPL-AWEZNQCLSA-N 2 0 350.463 0.285 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001308257030 866711284 /nfs/dbraw/zinc/71/12/84/866711284.db2.gz RGOUIVNJXZJBPL-CQSZACIVSA-N 2 0 350.463 0.285 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001351129563 866786833 /nfs/dbraw/zinc/78/68/33/866786833.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 0 355.527 0.421 20 0 FCADRP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC001351377021 866843733 /nfs/dbraw/zinc/84/37/33/866843733.db2.gz YKUPYWHDOMJDAJ-BDXSIMOUSA-N 2 0 374.598 0.858 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001351513049 866888413 /nfs/dbraw/zinc/88/84/13/866888413.db2.gz USNHEZDEEUXMSV-WMZOPIPTSA-N 2 0 350.507 0.478 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001351578232 866906568 /nfs/dbraw/zinc/90/65/68/866906568.db2.gz GFRRXZPXQARKRT-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001316706206 867414004 /nfs/dbraw/zinc/41/40/04/867414004.db2.gz NMRWYAKJBNXHTD-KGLIPLIRSA-N 2 0 355.483 0.001 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001353485635 867435303 /nfs/dbraw/zinc/43/53/03/867435303.db2.gz AGVREVPDVYPCML-KRWDZBQOSA-N 2 0 355.504 0.351 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C1CCCCCC1 ZINC001353612300 867455368 /nfs/dbraw/zinc/45/53/68/867455368.db2.gz AWUQGIVPWAUFQR-SJORKVTESA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001318696949 867731295 /nfs/dbraw/zinc/73/12/95/867731295.db2.gz SWSGLYSPPXYINP-QKPAOTATSA-N 2 0 354.495 0.201 20 0 FCADRP NC(=O)C[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC001319829969 868014085 /nfs/dbraw/zinc/01/40/85/868014085.db2.gz IYCBZEQMEMLJCI-HOTGVXAUSA-N 2 0 354.495 0.178 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@@H]21 ZINC001357591223 868138989 /nfs/dbraw/zinc/13/89/89/868138989.db2.gz RDKFRLNZORTFKL-ILXRZTDVSA-N 2 0 350.463 0.407 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001325715712 869998440 /nfs/dbraw/zinc/99/84/40/869998440.db2.gz CWUBXAJQEKGZNT-USXIJHARSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC001326027399 870145815 /nfs/dbraw/zinc/14/58/15/870145815.db2.gz SHFWTVDNOVSOEL-UHFFFAOYSA-N 2 0 350.467 0.201 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC001326051150 870153720 /nfs/dbraw/zinc/15/37/20/870153720.db2.gz MUKHJEKFCSPBMA-AWEZNQCLSA-N 2 0 350.467 0.248 20 0 FCADRP [NH3+]CCc1nc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cs1 ZINC001326307285 870250486 /nfs/dbraw/zinc/25/04/86/870250486.db2.gz XBZJSEUOQIZLRV-CHWSQXEVSA-N 2 0 365.503 0.365 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001326970476 870597049 /nfs/dbraw/zinc/59/70/49/870597049.db2.gz VSXPJJHHAHNSEH-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)C1CCN(C(=O)Cc2noc(C[C@@H]3CSCC[NH2+]3)n2)CC1 ZINC001328411807 871415836 /nfs/dbraw/zinc/41/58/36/871415836.db2.gz AMXDEFNEVSTUFM-GFCCVEGCSA-N 2 0 353.492 0.412 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001329143364 871845408 /nfs/dbraw/zinc/84/54/08/871845408.db2.gz USEGYQMXWDJIGJ-RHSMWYFYSA-N 2 0 355.504 0.349 20 0 FCADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1C ZINC001329290108 871936724 /nfs/dbraw/zinc/93/67/24/871936724.db2.gz IBQYWZSTMGJYCH-BFHYXJOUSA-N 2 0 351.499 0.686 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH+]2C)CC1 ZINC001346696764 871962383 /nfs/dbraw/zinc/96/23/83/871962383.db2.gz UYPKVDAYROPFRB-CVEARBPZSA-N 2 0 351.495 0.419 20 0 FCADRP C[NH+](C)C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704048 871966727 /nfs/dbraw/zinc/96/67/27/871966727.db2.gz WQKFNBBDQCIPMV-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001329379113 871988864 /nfs/dbraw/zinc/98/88/64/871988864.db2.gz QTHFQVGIYAGVQI-PWSUYJOCSA-N 2 0 358.430 0.374 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001348128461 872604486 /nfs/dbraw/zinc/60/44/86/872604486.db2.gz ODNBFKDBCGFWKE-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC([NH2+]CCO)CC3)n2)CC1 ZINC001330565496 872707577 /nfs/dbraw/zinc/70/75/77/872707577.db2.gz XZMYQAHBLNVTAX-UHFFFAOYSA-N 2 0 350.467 0.728 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001348575050 872728606 /nfs/dbraw/zinc/72/86/06/872728606.db2.gz UXHOHKHDAISNIC-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CC[NH2+]CC2 ZINC001348945174 872834041 /nfs/dbraw/zinc/83/40/41/872834041.db2.gz WXBLZCIPGLGCRT-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001331043746 872930468 /nfs/dbraw/zinc/93/04/68/872930468.db2.gz WBXACKLALOEWHZ-MEDUHNTESA-N 2 0 354.405 0.966 20 0 FCADRP C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001331330990 873064763 /nfs/dbraw/zinc/06/47/63/873064763.db2.gz UXVKFHOBCXTIPR-PVAVHDDUSA-N 2 0 367.515 0.775 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001331375629 873082264 /nfs/dbraw/zinc/08/22/64/873082264.db2.gz QIRHBASHQCTMBP-OAHLLOKOSA-N 2 0 352.479 0.087 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001331670004 873189261 /nfs/dbraw/zinc/18/92/61/873189261.db2.gz SNSBKRGIQULGIO-MUJYYYPQSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331834419 873266166 /nfs/dbraw/zinc/26/61/66/873266166.db2.gz UESDZJXAGAJNQD-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001331970469 873318815 /nfs/dbraw/zinc/31/88/15/873318815.db2.gz ULFHIDOPIYZKKN-XIRDDKMYSA-N 2 0 367.515 0.775 20 0 FCADRP NC(=O)CN1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001332680123 873613890 /nfs/dbraw/zinc/61/38/90/873613890.db2.gz RQHUXMFWGSOMRD-HNNXBMFYSA-N 2 0 354.520 0.270 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926236 948989738 /nfs/dbraw/zinc/98/97/38/948989738.db2.gz LOXIDNVLKZUCTL-CHWSQXEVSA-N 2 0 358.450 0.190 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926349 948998784 /nfs/dbraw/zinc/99/87/84/948998784.db2.gz ODOKVQAXFGKZDY-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573774591 949019134 /nfs/dbraw/zinc/01/91/34/949019134.db2.gz OIDYVZRNDRGZEX-UHFFFAOYSA-N 2 0 370.461 0.619 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253474 949190227 /nfs/dbraw/zinc/19/02/27/949190227.db2.gz KBZABIYFRPXDCP-NWDGAFQWSA-N 2 0 356.434 0.085 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704252 949374526 /nfs/dbraw/zinc/37/45/26/949374526.db2.gz BMKOKPBAGWYGNO-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263815 949406664 /nfs/dbraw/zinc/40/66/64/949406664.db2.gz JWBLHQLZJUAFQF-DZGCQCFKSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263816 949406924 /nfs/dbraw/zinc/40/69/24/949406924.db2.gz JWBLHQLZJUAFQF-HIFRSBDPSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574705756 949435023 /nfs/dbraw/zinc/43/50/23/949435023.db2.gz UVUMCCHBPFCVPC-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575268778 949527696 /nfs/dbraw/zinc/52/76/96/949527696.db2.gz PCAFVUFNMOZACQ-QWHCGFSZSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725282 949899583 /nfs/dbraw/zinc/89/95/83/949899583.db2.gz RCEKPDBQYZZZOH-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575907607 950337668 /nfs/dbraw/zinc/33/76/68/950337668.db2.gz PMBRRPNWWUXWOX-YPMHNXCESA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205317 950509285 /nfs/dbraw/zinc/50/92/85/950509285.db2.gz XBVBSSKKWHHKNN-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981173 950577676 /nfs/dbraw/zinc/57/76/76/950577676.db2.gz FKCQUSKKIROLEW-CHWSQXEVSA-N 2 0 356.434 0.038 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208674 950614162 /nfs/dbraw/zinc/61/41/62/950614162.db2.gz RZBMWIZJKIRRSS-RYUDHWBXSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576208947 950620423 /nfs/dbraw/zinc/62/04/23/950620423.db2.gz VNYCADYESDNMEL-OLZOCXBDSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208997 950622056 /nfs/dbraw/zinc/62/20/56/950622056.db2.gz XZCPWPLIVOZSLU-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214573 950673634 /nfs/dbraw/zinc/67/36/34/950673634.db2.gz QBMWWLPXJOYAQE-XYPHTWIQSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004641 951152126 /nfs/dbraw/zinc/15/21/26/951152126.db2.gz OXRDIZYOSYRSMV-AAEUAGOBSA-N 2 0 361.475 0.713 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575100155 951841709 /nfs/dbraw/zinc/84/17/09/951841709.db2.gz RCEKUSSIFOVIME-VXGBXAGGSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106841 951907627 /nfs/dbraw/zinc/90/76/27/951907627.db2.gz VJAVIAIEMTXCNI-CZUORRHYSA-N 2 0 357.462 0.660 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063386 951966656 /nfs/dbraw/zinc/96/66/56/951966656.db2.gz LMYIULTXCPSVRF-COXVUDFISA-N 2 0 369.473 0.897 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077442 952119254 /nfs/dbraw/zinc/11/92/54/952119254.db2.gz AREKEDATLAXLBR-KBPBESRZSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001575144105 952163008 /nfs/dbraw/zinc/16/30/08/952163008.db2.gz GLGVKNOSOCLIER-GFCCVEGCSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)[NH+](C)C ZINC001571102698 952349829 /nfs/dbraw/zinc/34/98/29/952349829.db2.gz FGINBFJZGAPFII-IOASZLSFSA-N 2 0 372.477 0.530 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000293128768 214147259 /nfs/dbraw/zinc/14/72/59/214147259.db2.gz IRCNCLWQEUSAAI-CQSZACIVSA-N 2 0 364.494 0.792 20 0 FCADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000293786132 214200560 /nfs/dbraw/zinc/20/05/60/214200560.db2.gz XBEJVSKWTYIOET-BHIYHBOVSA-N 2 0 361.486 0.801 20 0 FCADRP C[C@@H](O)C[N@H+](CCO)Cc1ccc(F)c(C[NH+](CCO)C[C@H](C)O)c1 ZINC000295256971 214287480 /nfs/dbraw/zinc/28/74/80/214287480.db2.gz XOPYMAONCGVCIQ-CABCVRRESA-N 2 0 358.454 0.176 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410555114 529886235 /nfs/dbraw/zinc/88/62/35/529886235.db2.gz GOPKMWAWTDZSFZ-QGZVFWFLSA-N 2 0 350.507 0.875 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410492078 529901081 /nfs/dbraw/zinc/90/10/81/529901081.db2.gz XBFPTLAPCKRCCW-INIZCTEOSA-N 2 0 366.506 0.110 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413628308 529901964 /nfs/dbraw/zinc/90/19/64/529901964.db2.gz PZPOBAKFBSZZHZ-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CNC(=O)N[C@H]1CC[NH+](CCC(C)CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541066 529890144 /nfs/dbraw/zinc/89/01/44/529890144.db2.gz HGCYLYCFWVHWCJ-HOTGVXAUSA-N 2 0 368.526 0.409 20 0 FCADRP C[N@H+](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000413265089 529914312 /nfs/dbraw/zinc/91/43/12/529914312.db2.gz KQNKPAZXBBLPKR-UHFFFAOYSA-N 2 0 353.511 0.176 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC[C@@H]21 ZINC000410951733 530064987 /nfs/dbraw/zinc/06/49/87/530064987.db2.gz GDHJMVCSPXIKRI-ZWOKBUDYSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331466917 215001019 /nfs/dbraw/zinc/00/10/19/215001019.db2.gz VKKBATPNCCWSRO-HMDCTGQHSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331572049 215017569 /nfs/dbraw/zinc/01/75/69/215017569.db2.gz LQFOVSTVXSTWNJ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000331566857 215015845 /nfs/dbraw/zinc/01/58/45/215015845.db2.gz LAGHIUMBAFRHFW-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000331587425 215020047 /nfs/dbraw/zinc/02/00/47/215020047.db2.gz MQRUXMLNFVTKMW-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[NH+](C)C1 ZINC000331700981 215036219 /nfs/dbraw/zinc/03/62/19/215036219.db2.gz XYKDXMDKUBEMFZ-LTIDMASMSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000331809194 215050054 /nfs/dbraw/zinc/05/00/54/215050054.db2.gz NQDOCMDKTYNLLK-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000331841842 215055766 /nfs/dbraw/zinc/05/57/66/215055766.db2.gz BQDTUPCKHIEJBZ-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000331970180 215073721 /nfs/dbraw/zinc/07/37/21/215073721.db2.gz JGHHZZGQNUFCKA-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000332040961 215083067 /nfs/dbraw/zinc/08/30/67/215083067.db2.gz JMYUEOVUMDPPAC-XHSDSOJGSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)[NH2+]1 ZINC000332082163 215089296 /nfs/dbraw/zinc/08/92/96/215089296.db2.gz NPMZFKDTRPIWEH-YALNPMBYSA-N 2 0 366.506 0.079 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000264991063 210033734 /nfs/dbraw/zinc/03/37/34/210033734.db2.gz BPMVBDQEZSDYSI-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000332074835 215087882 /nfs/dbraw/zinc/08/78/82/215087882.db2.gz FGJTXUDPNOCUAW-JCYILVPMSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000332322410 215129673 /nfs/dbraw/zinc/12/96/73/215129673.db2.gz LJZAJEORNMMAFP-ZACQAIPSSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000332386483 215142841 /nfs/dbraw/zinc/14/28/41/215142841.db2.gz YCRMOUDDSDTLFF-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000332531089 215170969 /nfs/dbraw/zinc/17/09/69/215170969.db2.gz QHDFXGITEZGWLD-OAGGEKHMSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000332614490 215190247 /nfs/dbraw/zinc/19/02/47/215190247.db2.gz AVPCZQPCGIZAAZ-USXIJHARSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000332592761 215186658 /nfs/dbraw/zinc/18/66/58/215186658.db2.gz MIXMSDYVRRBAQT-WBVHZDCISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000332700081 215204745 /nfs/dbraw/zinc/20/47/45/215204745.db2.gz WTYIDINWBGYXID-DOTOQJQBSA-N 2 0 350.507 0.764 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000333319067 215263559 /nfs/dbraw/zinc/26/35/59/215263559.db2.gz MSRSMTCWTLIYPD-MRXNPFEDSA-N 2 0 359.478 0.978 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333279522 215258796 /nfs/dbraw/zinc/25/87/96/215258796.db2.gz HIYJZYLFBVUSEY-GDBMZVCRSA-N 2 0 359.478 0.977 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490585 215288454 /nfs/dbraw/zinc/28/84/54/215288454.db2.gz DGDIVXZQLQROBN-DZGCQCFKSA-N 2 0 363.428 0.560 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333767770 215317450 /nfs/dbraw/zinc/31/74/50/215317450.db2.gz BNALVOHFPHABSU-KZNAEPCWSA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811426 215321529 /nfs/dbraw/zinc/32/15/29/215321529.db2.gz JJJNBSRZUBXWRE-SQNIBIBYSA-N 2 0 367.538 0.421 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333952105 215333667 /nfs/dbraw/zinc/33/36/67/215333667.db2.gz ZQXLNQQBFASRFE-IHRRRGAJSA-N 2 0 363.428 0.749 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333945492 215333731 /nfs/dbraw/zinc/33/37/31/215333731.db2.gz SXLRMVJYKSYUTM-ARFHVFGLSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000360572506 215364887 /nfs/dbraw/zinc/36/48/87/215364887.db2.gz LWXHLKGFXNYGIH-HUUCEWRRSA-N 2 0 367.494 0.927 20 0 FCADRP Cn1cc(N2CC[C@H]([NH2+]Cc3cnc(N4CCN(C)CC4)nc3)C2)cn1 ZINC000361268639 215386588 /nfs/dbraw/zinc/38/65/88/215386588.db2.gz KOOFOVILVIGYKS-INIZCTEOSA-N 2 0 356.478 0.330 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)C1 ZINC000285413500 213338807 /nfs/dbraw/zinc/33/88/07/213338807.db2.gz NFMGOOGJKJOLJS-VWPFQQQWSA-N 2 0 362.478 0.768 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284741309 213210602 /nfs/dbraw/zinc/21/06/02/213210602.db2.gz BVQXNINEXDWAFM-HNNXBMFYSA-N 2 0 361.490 0.619 20 0 FCADRP Cc1nccn1CCCCNC(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000284539160 213163794 /nfs/dbraw/zinc/16/37/94/213163794.db2.gz LFOJTTWNZUOMNV-UHFFFAOYSA-N 2 0 358.446 0.865 20 0 FCADRP C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nccn2C)C[C@H](C)O1 ZINC000284204746 213096822 /nfs/dbraw/zinc/09/68/22/213096822.db2.gz ZKNBVCWXQRSCKK-STQMWFEESA-N 2 0 351.451 0.040 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182838 213093038 /nfs/dbraw/zinc/09/30/38/213093038.db2.gz RDFACZLULVNBLZ-KSSFIOAISA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262467775 209593631 /nfs/dbraw/zinc/59/36/31/209593631.db2.gz YAKIBWPHLZRQPU-VFORCBIJSA-N 2 0 350.507 0.986 20 0 FCADRP CN(C)C(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411936260 237115557 /nfs/dbraw/zinc/11/55/57/237115557.db2.gz FKNNCQFMPBGTPB-CALCHBBNSA-N 2 0 352.523 0.977 20 0 FCADRP CN1CCN(C(=O)CC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000366977620 216058663 /nfs/dbraw/zinc/05/86/63/216058663.db2.gz UVKXSMPNIZNNHZ-UHFFFAOYSA-N 2 0 365.566 0.500 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367186844 216088682 /nfs/dbraw/zinc/08/86/82/216088682.db2.gz PZDFPLHMJMFMEB-ROUUACIJSA-N 2 0 369.554 0.622 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654267 216147642 /nfs/dbraw/zinc/14/76/42/216147642.db2.gz URNGGSFULFSSLP-GJZGRUSLSA-N 2 0 359.536 0.637 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC000261889280 209492225 /nfs/dbraw/zinc/49/22/25/209492225.db2.gz QGGDYENIZOVNNV-IPELMVKDSA-N 2 0 370.497 0.808 20 0 FCADRP COCC[NH2+]CCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000237302226 209351226 /nfs/dbraw/zinc/35/12/26/209351226.db2.gz LZEHPFBJHMYRBD-HNNXBMFYSA-N 2 0 352.454 0.688 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000237171717 209349838 /nfs/dbraw/zinc/34/98/38/209349838.db2.gz RVXYFNWFBCRCBD-KRWDZBQOSA-N 2 0 362.474 0.363 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000237228250 209348877 /nfs/dbraw/zinc/34/88/77/209348877.db2.gz SMTIYJTZGZZCPT-MRXNPFEDSA-N 2 0 366.487 0.703 20 0 FCADRP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCC[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326853 /nfs/dbraw/zinc/32/68/53/216326853.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 2 0 362.518 0.938 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368980454 216327904 /nfs/dbraw/zinc/32/79/04/216327904.db2.gz GSLOOAFAGMONSB-MSOLQXFVSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H](O)C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H](C)CO ZINC000190925248 209279831 /nfs/dbraw/zinc/27/98/31/209279831.db2.gz ZHODRYDSTRGLMB-HOTGVXAUSA-N 2 0 350.463 0.184 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000369219453 216365269 /nfs/dbraw/zinc/36/52/69/216365269.db2.gz OHKWOXXTIUBXAB-FGTMMUONSA-N 2 0 366.506 0.603 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188796629 209239458 /nfs/dbraw/zinc/23/94/58/209239458.db2.gz JVVYNSYTQZVRRU-UHFFFAOYSA-N 2 0 368.485 0.998 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188747223 209238796 /nfs/dbraw/zinc/23/87/96/209238796.db2.gz DXLGBHWEXFTNCU-UHFFFAOYSA-N 2 0 370.457 0.277 20 0 FCADRP CCS(=O)(=O)NCCN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188298088 209229276 /nfs/dbraw/zinc/22/92/76/209229276.db2.gz LGOKGZLAULHJFM-QGZVFWFLSA-N 2 0 355.504 0.495 20 0 FCADRP C[N@H+](CCC(=O)N1CCOCC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188289637 209227070 /nfs/dbraw/zinc/22/70/70/209227070.db2.gz DFQSKLSYRUHTPO-FQEVSTJZSA-N 2 0 361.486 0.804 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000187789783 209216452 /nfs/dbraw/zinc/21/64/52/209216452.db2.gz FEXBLRVQAZEWKQ-KRWDZBQOSA-N 2 0 373.501 0.572 20 0 FCADRP CN(c1ccccc1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)C1CC[NH+](C)CC1 ZINC000276484809 212241328 /nfs/dbraw/zinc/24/13/28/212241328.db2.gz OWLSNBUHQZNXTJ-INIZCTEOSA-N 2 0 359.474 0.937 20 0 FCADRP C[C@H](CO)[NH+](Cc1ccc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1)C[C@H](C)O ZINC000276222840 212189829 /nfs/dbraw/zinc/18/98/29/212189829.db2.gz QRNDIYLINCRVKJ-BDXSIMOUSA-N 2 0 368.518 0.814 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548756 212049235 /nfs/dbraw/zinc/04/92/35/212049235.db2.gz DZDSCGYYSSVGAN-RTBURBONSA-N 2 0 374.533 0.791 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000414684435 245309759 /nfs/dbraw/zinc/30/97/59/245309759.db2.gz VRNSWCYEJLZTEA-GJZGRUSLSA-N 2 0 362.474 0.960 20 0 FCADRP CCOc1cccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414695302 245310079 /nfs/dbraw/zinc/31/00/79/245310079.db2.gz FGWIGQQHAHRALZ-MRXNPFEDSA-N 2 0 361.490 0.800 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000414679659 245312685 /nfs/dbraw/zinc/31/26/85/245312685.db2.gz LYVNALWOHHOUGT-GASCZTMLSA-N 2 0 374.485 0.886 20 0 FCADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414778276 245322563 /nfs/dbraw/zinc/32/25/63/245322563.db2.gz HVYADZVSVJUJJN-UHFFFAOYSA-N 2 0 351.495 0.836 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000414851456 245325439 /nfs/dbraw/zinc/32/54/39/245325439.db2.gz JKJXJPSIRJHLLQ-WMLDXEAASA-N 2 0 362.474 0.854 20 0 FCADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000414867107 245329691 /nfs/dbraw/zinc/32/96/91/245329691.db2.gz OCCXBIYSTIGLFI-CQSZACIVSA-N 2 0 350.463 0.916 20 0 FCADRP COCCNCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414883920 245329795 /nfs/dbraw/zinc/32/97/95/245329795.db2.gz NDXJMGNATMRRDZ-UHFFFAOYSA-N 2 0 371.503 0.674 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000415287855 245380655 /nfs/dbraw/zinc/38/06/55/245380655.db2.gz YQNFPBBRRMDMPN-UHFFFAOYSA-N 2 0 359.474 0.194 20 0 FCADRP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1)N1CCOCC1 ZINC000415343560 245393447 /nfs/dbraw/zinc/39/34/47/245393447.db2.gz LQJXKIVDQJHBML-GJZGRUSLSA-N 2 0 360.458 0.839 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000373863856 217068195 /nfs/dbraw/zinc/06/81/95/217068195.db2.gz TYZYMWQRIBCTIA-MLGOLLRUSA-N 2 0 352.460 0.252 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000184063816 209156814 /nfs/dbraw/zinc/15/68/14/209156814.db2.gz DVTRVIDDFSDNAE-INIZCTEOSA-N 2 0 363.506 0.778 20 0 FCADRP COCC[C@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC[NH2+]C1 ZINC000374453866 217131336 /nfs/dbraw/zinc/13/13/36/217131336.db2.gz WBSPPIDJEYMRAV-DNVCBOLYSA-N 2 0 362.474 0.939 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1=O ZINC000374918553 217189298 /nfs/dbraw/zinc/18/92/98/217189298.db2.gz SJNCZQOETVMBIZ-MLHJIOFPSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000183289718 209143582 /nfs/dbraw/zinc/14/35/82/209143582.db2.gz PPLZHFCQYLUZLA-INIZCTEOSA-N 2 0 353.488 0.645 20 0 FCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@H]2C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000416307432 245561311 /nfs/dbraw/zinc/56/13/11/245561311.db2.gz KYVDACXATNVBMR-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[NH+]1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417742290 245720335 /nfs/dbraw/zinc/72/03/35/245720335.db2.gz AMWOOVHRRBWFNO-AWEZNQCLSA-N 2 0 365.444 0.996 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418407681 245782093 /nfs/dbraw/zinc/78/20/93/245782093.db2.gz TXOVNUSXWLYPHT-QGZVFWFLSA-N 2 0 367.538 0.993 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418742000 245820022 /nfs/dbraw/zinc/82/00/22/245820022.db2.gz BLSWZWHSJXBSBF-HZPDHXFCSA-N 2 0 351.495 0.372 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000419128817 246005712 /nfs/dbraw/zinc/00/57/12/246005712.db2.gz XEGRWUVINYEYJJ-SJORKVTESA-N 2 0 367.538 0.008 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419126701 246001103 /nfs/dbraw/zinc/00/11/03/246001103.db2.gz NRJCOHPOMJMMMA-ZACQAIPSSA-N 2 0 367.538 0.008 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)CC(C)C ZINC000419128294 246003579 /nfs/dbraw/zinc/00/35/79/246003579.db2.gz WACGASAVUMWLFB-CVEARBPZSA-N 2 0 356.511 0.435 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419130130 246004912 /nfs/dbraw/zinc/00/49/12/246004912.db2.gz AQMCLELXEUIHSR-VQIMIIECSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000419156213 246021253 /nfs/dbraw/zinc/02/12/53/246021253.db2.gz SNRAEESHHKJCMC-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCc1nccn1CCCc1ccccc1)C1CC1 ZINC000419160059 246023116 /nfs/dbraw/zinc/02/31/16/246023116.db2.gz YGKASQDCVSHXFU-QGZVFWFLSA-N 2 0 369.469 0.986 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419131245 246006355 /nfs/dbraw/zinc/00/63/55/246006355.db2.gz CEBWACUFRYYGCZ-YLQAJVPDSA-N 2 0 360.433 0.432 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419131213 246007163 /nfs/dbraw/zinc/00/71/63/246007163.db2.gz CBPXZAIXWNOLLP-HZPDHXFCSA-N 2 0 362.474 0.629 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419135639 246010006 /nfs/dbraw/zinc/01/00/06/246010006.db2.gz NMDFBGUKASMPOM-UHFFFAOYSA-N 2 0 350.488 0.508 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000419136806 246011695 /nfs/dbraw/zinc/01/16/95/246011695.db2.gz PSNFJTIDLCAIPF-KFWWJZLASA-N 2 0 356.511 0.434 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144335 246012769 /nfs/dbraw/zinc/01/27/69/246012769.db2.gz GRXIIPUANJIJBN-GJZGRUSLSA-N 2 0 364.515 0.945 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCC(C)CC1 ZINC000419143397 246013268 /nfs/dbraw/zinc/01/32/68/246013268.db2.gz DFTHNQCBEHOLEO-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419145207 246015524 /nfs/dbraw/zinc/01/55/24/246015524.db2.gz AATFWPVMAIELBP-RTBURBONSA-N 2 0 372.513 0.926 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000419148157 246017873 /nfs/dbraw/zinc/01/78/73/246017873.db2.gz JUOQZXLVSCQQLY-ZBFHGGJFSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000419162921 246026533 /nfs/dbraw/zinc/02/65/33/246026533.db2.gz VQEOOQRBVRSDOE-QBPKDAKJSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166570 246028692 /nfs/dbraw/zinc/02/86/92/246028692.db2.gz HLYNYKBLXIJNFY-WMZOPIPTSA-N 2 0 358.486 0.488 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419187690 246041415 /nfs/dbraw/zinc/04/14/15/246041415.db2.gz JMAWFTRUQIOYEO-SFHVURJKSA-N 2 0 358.486 0.944 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419210939 246056143 /nfs/dbraw/zinc/05/61/43/246056143.db2.gz RUXIDKRRMRIWPG-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212216 246056773 /nfs/dbraw/zinc/05/67/73/246056773.db2.gz UJJPLBQTTPPXTI-ZWKOTPCHSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419215364 246058935 /nfs/dbraw/zinc/05/89/35/246058935.db2.gz YUASMRWFYNKRHV-GBESFXJTSA-N 2 0 370.497 0.835 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000419216304 246059979 /nfs/dbraw/zinc/05/99/79/246059979.db2.gz BJPIDTHMWBZYOD-UHFFFAOYSA-N 2 0 359.474 0.446 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231193 246067295 /nfs/dbraw/zinc/06/72/95/246067295.db2.gz RKBBFDHGVRXPQX-IMJJTQAJSA-N 2 0 366.506 0.596 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419222309 246062944 /nfs/dbraw/zinc/06/29/44/246062944.db2.gz BMVLPABTBAUPOS-ZTFGCOKTSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419219578 246063121 /nfs/dbraw/zinc/06/31/21/246063121.db2.gz UDHGZWNPTSTANJ-KKUMJFAQSA-N 2 0 362.474 0.375 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419199673 246049114 /nfs/dbraw/zinc/04/91/14/246049114.db2.gz DMRRCSLPODIYGK-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419231772 246071350 /nfs/dbraw/zinc/07/13/50/246071350.db2.gz SFOQOORUBSNEGL-XIRDDKMYSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCO1 ZINC000419265413 246080109 /nfs/dbraw/zinc/08/01/09/246080109.db2.gz DRWQPEGJQSIDAI-GOSISDBHSA-N 2 0 374.485 0.475 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H](C)C[NH2+]1 ZINC000419363040 246117651 /nfs/dbraw/zinc/11/76/51/246117651.db2.gz CSENSDMUROZVRJ-HUUCEWRRSA-N 2 0 358.486 0.411 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419361639 246118769 /nfs/dbraw/zinc/11/87/69/246118769.db2.gz BDUCTWRRIUQDOI-QAPCUYQASA-N 2 0 372.513 0.645 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419363042 246119231 /nfs/dbraw/zinc/11/92/31/246119231.db2.gz CSENSDMUROZVRJ-LSDHHAIUSA-N 2 0 358.486 0.411 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419369754 246121072 /nfs/dbraw/zinc/12/10/72/246121072.db2.gz GAHYHLRDIPEQGI-CABCVRRESA-N 2 0 358.486 0.398 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000419377750 246125667 /nfs/dbraw/zinc/12/56/67/246125667.db2.gz UOGNDPPBBUWHPD-GOSISDBHSA-N 2 0 372.513 0.836 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419385205 246127384 /nfs/dbraw/zinc/12/73/84/246127384.db2.gz ACUOAQUTZXENBU-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419390286 246128622 /nfs/dbraw/zinc/12/86/22/246128622.db2.gz ILNNSXROOMSINQ-NZSAHSFTSA-N 2 0 370.497 0.665 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419390285 246130192 /nfs/dbraw/zinc/13/01/92/246130192.db2.gz ILNNSXROOMSINQ-BHIYHBOVSA-N 2 0 370.497 0.665 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419417008 246149468 /nfs/dbraw/zinc/14/94/68/246149468.db2.gz HOZKSMXENBIDCB-VVLHAWIVSA-N 2 0 368.522 0.435 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399157 246134537 /nfs/dbraw/zinc/13/45/37/246134537.db2.gz JBWGKGFUWGEBDN-JZXOWHBKSA-N 2 0 360.502 0.985 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000419403800 246136278 /nfs/dbraw/zinc/13/62/78/246136278.db2.gz FDAXJRIVSMVROG-IBGZPJMESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403876 246137262 /nfs/dbraw/zinc/13/72/62/246137262.db2.gz SAOVTMXHIKTXKA-RYQLBKOJSA-N 2 0 374.485 0.118 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000419406600 246139578 /nfs/dbraw/zinc/13/95/78/246139578.db2.gz JFNINMRVAVWEHA-CRAIPNDOSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419405892 246140339 /nfs/dbraw/zinc/14/03/39/246140339.db2.gz ICCNZIVAOFBVAM-IOASZLSFSA-N 2 0 350.438 0.740 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000419407565 246141382 /nfs/dbraw/zinc/14/13/82/246141382.db2.gz KRODYVLNKFOAQS-QGZVFWFLSA-N 2 0 358.486 0.937 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419408507 246142127 /nfs/dbraw/zinc/14/21/27/246142127.db2.gz LXWLXZDAFYEEPC-YVSFHVDLSA-N 2 0 350.507 0.539 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419410555 246144091 /nfs/dbraw/zinc/14/40/91/246144091.db2.gz AMVFPCXKPVAOBI-GOSISDBHSA-N 2 0 356.470 0.976 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419411035 246144492 /nfs/dbraw/zinc/14/44/92/246144492.db2.gz PSVGIDHKWOSPMY-HNNXBMFYSA-N 2 0 352.454 0.988 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419421343 246154017 /nfs/dbraw/zinc/15/40/17/246154017.db2.gz OWAKLYXGIPVEJP-INIZCTEOSA-N 2 0 361.490 0.121 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000419425160 246156660 /nfs/dbraw/zinc/15/66/60/246156660.db2.gz VIIUHENSXZWJKB-SFHVURJKSA-N 2 0 373.501 0.168 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419431234 246159494 /nfs/dbraw/zinc/15/94/94/246159494.db2.gz WUCJWHZANGDQTB-AEFFLSMTSA-N 2 0 356.470 0.371 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419433994 246161048 /nfs/dbraw/zinc/16/10/48/246161048.db2.gz ZYTKJFBVBIRPJS-IAGOWNOFSA-N 2 0 360.458 0.044 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000419433963 246161104 /nfs/dbraw/zinc/16/11/04/246161104.db2.gz ZUIVLPBKBWLYDI-KRWDZBQOSA-N 2 0 360.502 0.911 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419419125 246151898 /nfs/dbraw/zinc/15/18/98/246151898.db2.gz LUDMOKHQBWHJGB-KRWDZBQOSA-N 2 0 373.501 0.183 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000419417628 246152108 /nfs/dbraw/zinc/15/21/08/246152108.db2.gz XHYNAOJWNPJIKD-XJKCOSOUSA-N 2 0 350.438 0.753 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419527791 246192264 /nfs/dbraw/zinc/19/22/64/246192264.db2.gz GMLVDFGQSFXVFX-XLMAVXFVSA-N 2 0 358.486 0.832 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419586242 246212810 /nfs/dbraw/zinc/21/28/10/246212810.db2.gz MPJWNYFFBADYCL-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419536238 246194849 /nfs/dbraw/zinc/19/48/49/246194849.db2.gz UIXQWYZSURTOFZ-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C[NH+]1CCCC1 ZINC000419663599 246235877 /nfs/dbraw/zinc/23/58/77/246235877.db2.gz KKZWUBYTRVYICT-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419665155 246236780 /nfs/dbraw/zinc/23/67/80/246236780.db2.gz SXPWAVCIYHKDOC-NUJGCVRESA-N 2 0 358.486 0.976 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000419670311 246240079 /nfs/dbraw/zinc/24/00/79/246240079.db2.gz WSUSSNSDUICDQD-HUUCEWRRSA-N 2 0 354.495 0.189 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419672207 246241163 /nfs/dbraw/zinc/24/11/63/246241163.db2.gz APLCUVXJOBPKNF-UHFFFAOYSA-N 2 0 370.563 0.908 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419681633 246245458 /nfs/dbraw/zinc/24/54/58/246245458.db2.gz IQTDYCZMKCNXED-OAHLLOKOSA-N 2 0 354.495 0.381 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419689092 246251527 /nfs/dbraw/zinc/25/15/27/246251527.db2.gz IHDOWXTUFMUCOL-UHFFFAOYSA-N 2 0 366.531 0.500 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691076 246251958 /nfs/dbraw/zinc/25/19/58/246251958.db2.gz LWJHNSPRZYEYME-OAHLLOKOSA-N 2 0 370.563 0.954 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419720528 246270140 /nfs/dbraw/zinc/27/01/40/246270140.db2.gz ICPPYLQCHIJRSP-NRFANRHFSA-N 2 0 370.497 0.979 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419697265 246254855 /nfs/dbraw/zinc/25/48/55/246254855.db2.gz WEQYREZXKYKPKQ-CABCVRRESA-N 2 0 368.547 0.708 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702300 246258841 /nfs/dbraw/zinc/25/88/41/246258841.db2.gz AVGCBLGZMVMOAW-QLFBSQMISA-N 2 0 354.495 0.596 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000419709812 246264341 /nfs/dbraw/zinc/26/43/41/246264341.db2.gz KMVJYPVCNXUBGP-YJBOKZPZSA-N 2 0 360.502 0.993 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419712838 246265839 /nfs/dbraw/zinc/26/58/39/246265839.db2.gz UMOOEPGUMSFAHM-YJBOKZPZSA-N 2 0 356.470 0.802 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419763538 246289704 /nfs/dbraw/zinc/28/97/04/246289704.db2.gz UOXFIJZMQUPTDE-AWEZNQCLSA-N 2 0 350.438 0.490 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000419769881 246291226 /nfs/dbraw/zinc/29/12/26/246291226.db2.gz WJMAAKHOKBUDTN-QZTJIDSGSA-N 2 0 374.485 0.118 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419786857 246297880 /nfs/dbraw/zinc/29/78/80/246297880.db2.gz ZJDDBOYCOHPHIU-QZTJIDSGSA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419809337 246302974 /nfs/dbraw/zinc/30/29/74/246302974.db2.gz CYSCOWZIXJVRAF-INIZCTEOSA-N 2 0 368.522 0.724 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419813077 246303028 /nfs/dbraw/zinc/30/30/28/246303028.db2.gz JPGQUCFKLWNRMB-SJLPKXTDSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419815316 246305383 /nfs/dbraw/zinc/30/53/83/246305383.db2.gz PIOBTPSXKUUHNS-NUEKZKHPSA-N 2 0 362.474 0.635 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCC1 ZINC000419720636 246270693 /nfs/dbraw/zinc/27/06/93/246270693.db2.gz YPKYTGCELYMGIG-QBPKDAKJSA-N 2 0 350.507 0.871 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CCCC2)CC1 ZINC000419746317 246279743 /nfs/dbraw/zinc/27/97/43/246279743.db2.gz BTFZHEXZGLUMIK-GDBMZVCRSA-N 2 0 366.506 0.332 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000419824082 246307596 /nfs/dbraw/zinc/30/75/96/246307596.db2.gz YRGWHMGSGFUTKS-BRWVUGGUSA-N 2 0 362.474 0.370 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419828973 246309660 /nfs/dbraw/zinc/30/96/60/246309660.db2.gz UTZFYDQLXZHQHY-MSOLQXFVSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000419834970 246312944 /nfs/dbraw/zinc/31/29/44/246312944.db2.gz UPKRTULMHXGMSD-WBVHZDCISA-N 2 0 367.538 0.010 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000419852084 246321570 /nfs/dbraw/zinc/32/15/70/246321570.db2.gz PVIDPKSRZLVWNK-UHFFFAOYSA-N 2 0 350.438 0.586 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419854659 246324270 /nfs/dbraw/zinc/32/42/70/246324270.db2.gz VPDUGMTWRQVXSF-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419852989 246324662 /nfs/dbraw/zinc/32/46/62/246324662.db2.gz AJIDHLOXVHGNCD-VYDXJSESSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419859211 246328544 /nfs/dbraw/zinc/32/85/44/246328544.db2.gz JHDTYPSEHHBQNM-JKIFEVAISA-N 2 0 366.506 0.188 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419860888 246330734 /nfs/dbraw/zinc/33/07/34/246330734.db2.gz LISXAXMCVADGLB-ZWKOTPCHSA-N 2 0 358.486 0.963 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)CC1 ZINC000419865511 246335723 /nfs/dbraw/zinc/33/57/23/246335723.db2.gz PHXFUKGURBIYIY-DOTOQJQBSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419870267 246337079 /nfs/dbraw/zinc/33/70/79/246337079.db2.gz WVWPZYLEWJYASG-AWEZNQCLSA-N 2 0 352.504 0.754 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419914951 246366161 /nfs/dbraw/zinc/36/61/61/246366161.db2.gz OOGWSNXYJZVPCQ-QGZVFWFLSA-N 2 0 358.486 0.837 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419913546 246366391 /nfs/dbraw/zinc/36/63/91/246366391.db2.gz NBAXRDYLRZIEGD-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419923005 246371271 /nfs/dbraw/zinc/37/12/71/246371271.db2.gz KPLKUGKZPPRCTP-UHFFFAOYSA-N 2 0 352.504 0.754 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419933361 246374543 /nfs/dbraw/zinc/37/45/43/246374543.db2.gz GRWSCKIDCOOBOF-CEXWTWQISA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000419877317 246344101 /nfs/dbraw/zinc/34/41/01/246344101.db2.gz PWDOPZNGBZQSAZ-BZUAXINKSA-N 2 0 350.438 0.931 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419878142 246345976 /nfs/dbraw/zinc/34/59/76/246345976.db2.gz YNBRHBIJJLFSBF-ROUUACIJSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419891945 246354568 /nfs/dbraw/zinc/35/45/68/246354568.db2.gz UMWRDULORCUKPT-GUDVDZBRSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419892120 246355107 /nfs/dbraw/zinc/35/51/07/246355107.db2.gz NWMDINNXLZRMQL-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419900127 246359719 /nfs/dbraw/zinc/35/97/19/246359719.db2.gz QKECJIZRPXIMFI-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419907415 246361633 /nfs/dbraw/zinc/36/16/33/246361633.db2.gz FRUOOSLNYWDAGH-IAGOWNOFSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419943389 246380547 /nfs/dbraw/zinc/38/05/47/246380547.db2.gz PQHZSUOWDUJZMK-GFCCVEGCSA-N 2 0 356.417 0.566 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419962990 246390608 /nfs/dbraw/zinc/39/06/08/246390608.db2.gz VTHJYJQWCGJYSZ-OAGGEKHMSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419962627 246391184 /nfs/dbraw/zinc/39/11/84/246391184.db2.gz VLRSZVWKVZWQGN-OAHLLOKOSA-N 2 0 354.495 0.048 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000419966617 246392272 /nfs/dbraw/zinc/39/22/72/246392272.db2.gz YTOJQUNKIKTUAQ-CABCVRRESA-N 2 0 354.495 0.188 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967322 246393691 /nfs/dbraw/zinc/39/36/91/246393691.db2.gz NSJVQIIFFNYWCU-DOTOQJQBSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419979359 246399851 /nfs/dbraw/zinc/39/98/51/246399851.db2.gz PHFDLHUYSAKCBR-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422840014 246924904 /nfs/dbraw/zinc/92/49/04/246924904.db2.gz RXHJVNOKNOSGSB-RDJZCZTQSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423362393 247010807 /nfs/dbraw/zinc/01/08/07/247010807.db2.gz HPYCVITZZLAONI-KGLIPLIRSA-N 2 0 352.504 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308507 247001913 /nfs/dbraw/zinc/00/19/13/247001913.db2.gz ONLKSVDXRJWIRL-SJLPKXTDSA-N 2 0 358.486 0.787 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000423317941 247003823 /nfs/dbraw/zinc/00/38/23/247003823.db2.gz BHBMCSFISYOPQF-CPUCHLNUSA-N 2 0 363.458 0.802 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000423602969 247070050 /nfs/dbraw/zinc/07/00/50/247070050.db2.gz HRRAMPQCHZZCIE-JKSUJKDBSA-N 2 0 359.474 0.719 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573309 247058184 /nfs/dbraw/zinc/05/81/84/247058184.db2.gz WBRGPNDVJSABML-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccccc2OC)CC1 ZINC000423598145 247068265 /nfs/dbraw/zinc/06/82/65/247068265.db2.gz VXKWNGHTTQJHCL-KRWDZBQOSA-N 2 0 374.485 0.550 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000423421376 247024252 /nfs/dbraw/zinc/02/42/52/247024252.db2.gz BRULWCRRUWOZSH-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000423598161 247069234 /nfs/dbraw/zinc/06/92/34/247069234.db2.gz VYZGXXLXSFEPML-ZWKOTPCHSA-N 2 0 358.486 0.582 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423496903 247038558 /nfs/dbraw/zinc/03/85/58/247038558.db2.gz FUBDMSVYUDQTNJ-ZOBUZTSGSA-N 2 0 366.506 0.284 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000423701570 247115134 /nfs/dbraw/zinc/11/51/34/247115134.db2.gz WXQGMYBPSVFJBH-GVDBMIGSSA-N 2 0 368.522 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423694523 247113377 /nfs/dbraw/zinc/11/33/77/247113377.db2.gz GDJUVRKSJLWOKZ-DYESRHJHSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423612284 247074553 /nfs/dbraw/zinc/07/45/53/247074553.db2.gz PBPRIEZEMBMJIG-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC[NH2+]1 ZINC000423616396 247077981 /nfs/dbraw/zinc/07/79/81/247077981.db2.gz FOPZUYZUQVLJCG-ZIAGYGMSSA-N 2 0 353.488 0.892 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640269 247087903 /nfs/dbraw/zinc/08/79/03/247087903.db2.gz WDEBKBAOKYPEGF-PXNSSMCTSA-N 2 0 356.470 0.671 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000423647459 247089496 /nfs/dbraw/zinc/08/94/96/247089496.db2.gz HYUDHVBEPZENME-OWCLPIDISA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000423647457 247089691 /nfs/dbraw/zinc/08/96/91/247089691.db2.gz HYUDHVBEPZENME-BZUAXINKSA-N 2 0 354.495 0.141 20 0 FCADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645532 247091061 /nfs/dbraw/zinc/09/10/61/247091061.db2.gz KUUDUMIVVHFIRE-QRVBRYPASA-N 2 0 370.497 0.917 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000423696857 247114544 /nfs/dbraw/zinc/11/45/44/247114544.db2.gz MGWKYCQNGMACGL-UAGQMJEPSA-N 2 0 350.507 0.905 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000423649690 247093129 /nfs/dbraw/zinc/09/31/29/247093129.db2.gz KAFRKFXTMVFVBL-HRCADAONSA-N 2 0 354.495 0.155 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423649873 247093228 /nfs/dbraw/zinc/09/32/28/247093228.db2.gz TUMGMCMAUDWNOB-QZTJIDSGSA-N 2 0 370.497 0.917 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423653343 247094711 /nfs/dbraw/zinc/09/47/11/247094711.db2.gz OTFVLNUNIHWNKF-HUUCEWRRSA-N 2 0 350.463 0.756 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423653341 247095306 /nfs/dbraw/zinc/09/53/06/247095306.db2.gz OTFVLNUNIHWNKF-GJZGRUSLSA-N 2 0 350.463 0.756 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C[NH2+]1 ZINC000423657902 247096872 /nfs/dbraw/zinc/09/68/72/247096872.db2.gz WWKGEGPJLIJXLJ-HZPDHXFCSA-N 2 0 373.501 0.965 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423668741 247102726 /nfs/dbraw/zinc/10/27/26/247102726.db2.gz WTLYVASERNZSOI-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)C1 ZINC000423671829 247104450 /nfs/dbraw/zinc/10/44/50/247104450.db2.gz XEXOUJHCAXZNRY-HXUWFJFHSA-N 2 0 358.486 0.918 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423748605 247137904 /nfs/dbraw/zinc/13/79/04/247137904.db2.gz ZRMCWTCZUFXTAX-DOTOQJQBSA-N 2 0 367.538 0.057 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988452 247156486 /nfs/dbraw/zinc/15/64/86/247156486.db2.gz XOLZUASLISWEPG-PASDCYSWSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)CCO1 ZINC000423716986 247121650 /nfs/dbraw/zinc/12/16/50/247121650.db2.gz ASUROBTVFCWUSA-UXLLHSPISA-N 2 0 366.506 0.284 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423723304 247126216 /nfs/dbraw/zinc/12/62/16/247126216.db2.gz HCXUDBNAFWPOCR-JKSUJKDBSA-N 2 0 362.474 0.628 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000423724444 247126978 /nfs/dbraw/zinc/12/69/78/247126978.db2.gz IEIHMBZVXZOWBR-ARFHVFGLSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725774 247128329 /nfs/dbraw/zinc/12/83/29/247128329.db2.gz SVKCDDYXORBNJX-KBAYOESNSA-N 2 0 358.486 0.773 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H]1C[NH3+] ZINC000423728538 247128550 /nfs/dbraw/zinc/12/85/50/247128550.db2.gz JVDDJEKGUADFLJ-RDJZCZTQSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@H]1C[NH3+] ZINC000423741225 247134459 /nfs/dbraw/zinc/13/44/59/247134459.db2.gz SPQXJEKLNXTKEC-BBWFWOEESA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@H]1C[NH3+] ZINC000423741234 247134985 /nfs/dbraw/zinc/13/49/85/247134985.db2.gz SPQXJEKLNXTKEC-ULQDDVLXSA-N 2 0 366.506 0.143 20 0 FCADRP [NH3+]C1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000424036936 247161648 /nfs/dbraw/zinc/16/16/48/247161648.db2.gz IFVJZOQEDLNJNR-GOSISDBHSA-N 3 0 360.502 0.865 20 0 FCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1)Cc1ccccc1 ZINC000424141238 247171258 /nfs/dbraw/zinc/17/12/58/247171258.db2.gz GZPOCCUYTMVNHW-MSOLQXFVSA-N 2 0 358.486 0.820 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H]1C ZINC000425396796 247335336 /nfs/dbraw/zinc/33/53/36/247335336.db2.gz ZHYSHNSHOQTOBG-YYIAUSFCSA-N 2 0 350.507 0.870 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000425446806 247343017 /nfs/dbraw/zinc/34/30/17/247343017.db2.gz QWJMANBINIXPLW-HNNXBMFYSA-N 2 0 369.510 0.078 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576768 247709602 /nfs/dbraw/zinc/70/96/02/247709602.db2.gz XOGLKEBPEHFTDP-STQMWFEESA-N 2 0 354.476 0.722 20 0 FCADRP COc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1OCC(N)=O ZINC000433176159 247848033 /nfs/dbraw/zinc/84/80/33/247848033.db2.gz RPJAYFGKYDFTQX-UHFFFAOYSA-N 2 0 364.446 0.701 20 0 FCADRP NC(=O)c1ccc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000433147159 247846139 /nfs/dbraw/zinc/84/61/39/247846139.db2.gz NSWSNQJRCBPPPU-UHFFFAOYSA-N 2 0 373.501 0.637 20 0 FCADRP CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625472 248004135 /nfs/dbraw/zinc/00/41/35/248004135.db2.gz LQGHAMBCCWWKBE-ZWKOTPCHSA-N 2 0 354.539 0.923 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000443650874 248334938 /nfs/dbraw/zinc/33/49/38/248334938.db2.gz INFBPVWDLKJABQ-BBWFWOEESA-N 2 0 368.522 0.402 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442610219 248293011 /nfs/dbraw/zinc/29/30/11/248293011.db2.gz NLQGUONPDWVXFO-QGZVFWFLSA-N 2 0 369.554 0.404 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000445867422 248378111 /nfs/dbraw/zinc/37/81/11/248378111.db2.gz VSHJVHBKVRFSKN-UHFFFAOYSA-N 2 0 351.495 0.420 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccn1 ZINC000452359878 249312463 /nfs/dbraw/zinc/31/24/63/249312463.db2.gz HUYQUAMWWHWIGX-MRXNPFEDSA-N 2 0 350.463 0.599 20 0 FCADRP C[C@H](C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452982236 249340428 /nfs/dbraw/zinc/34/04/28/249340428.db2.gz XYMBDXBFXUBGED-UXJCHEOYSA-N 2 0 362.518 0.584 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)c2ccoc2CC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817306 211275656 /nfs/dbraw/zinc/27/56/56/211275656.db2.gz NJPFBIQDJWBSSG-LSDHHAIUSA-N 2 0 362.474 0.761 20 0 FCADRP Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cnc2n1 ZINC000470023246 250021316 /nfs/dbraw/zinc/02/13/16/250021316.db2.gz YHTYYGPCVBCJKN-MRXNPFEDSA-N 2 0 356.474 0.990 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@]1(O)CCOC1 ZINC000270170504 211162551 /nfs/dbraw/zinc/16/25/51/211162551.db2.gz UFDTUTAXOXRMCS-GOSISDBHSA-N 2 0 363.462 0.044 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470963487 250083703 /nfs/dbraw/zinc/08/37/03/250083703.db2.gz LEGPLZLTBURUMO-PVAVHDDUSA-N 2 0 350.507 0.763 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000471650806 250113408 /nfs/dbraw/zinc/11/34/08/250113408.db2.gz WYJQXIAMKMZPPQ-ZWKOTPCHSA-N 2 0 364.490 0.499 20 0 FCADRP C[NH+]1CCC(NC(=O)CCSCCC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000471397066 250099711 /nfs/dbraw/zinc/09/97/11/250099711.db2.gz SMQCRLBBUTUUPE-UHFFFAOYSA-N 2 0 370.563 0.921 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284600 250143509 /nfs/dbraw/zinc/14/35/09/250143509.db2.gz MCOKFRCBNLIDLG-DOTOQJQBSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000472279828 250142311 /nfs/dbraw/zinc/14/23/11/250142311.db2.gz VPFCYECPCBLODO-QZTJIDSGSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000472751684 250179572 /nfs/dbraw/zinc/17/95/72/250179572.db2.gz NSIYFVQHFXVMMU-UHFFFAOYSA-N 2 0 365.566 0.643 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000474034741 250265683 /nfs/dbraw/zinc/26/56/83/250265683.db2.gz PUPHIPZTVHBYPH-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932482 250256720 /nfs/dbraw/zinc/25/67/20/250256720.db2.gz MHLWINCUBQMRAL-LSDHHAIUSA-N 2 0 351.499 0.934 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000480942863 250298622 /nfs/dbraw/zinc/29/86/22/250298622.db2.gz WIUGTCWHVAQTNY-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943512 250299118 /nfs/dbraw/zinc/29/91/18/250299118.db2.gz XSTPXJRPUNDFSO-IXDOHACOSA-N 2 0 370.538 0.506 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCSC1 ZINC000481797637 250361046 /nfs/dbraw/zinc/36/10/46/250361046.db2.gz SLACQMGCHXAZHH-XJKSGUPXSA-N 2 0 357.524 0.063 20 0 FCADRP NC(=O)C[C@@H](N)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000269730752 211057494 /nfs/dbraw/zinc/05/74/94/211057494.db2.gz RYTQSOPUWVIZTH-OAHLLOKOSA-N 2 0 361.446 0.642 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000481997172 250373324 /nfs/dbraw/zinc/37/33/24/250373324.db2.gz DONTWVJBPVBFLT-MRXNPFEDSA-N 2 0 368.522 0.356 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413075485 532991927 /nfs/dbraw/zinc/99/19/27/532991927.db2.gz PPHRZYFXJMTQGC-OWCLPIDISA-N 2 0 370.494 0.232 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000413188903 532993978 /nfs/dbraw/zinc/99/39/78/532993978.db2.gz VJYSRQUSZSUPFV-JKSUJKDBSA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+](C)C1 ZINC000413447663 532992769 /nfs/dbraw/zinc/99/27/69/532992769.db2.gz DGQMZTVMLCGCGW-OAHLLOKOSA-N 2 0 354.495 0.855 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000073399896 208048054 /nfs/dbraw/zinc/04/80/54/208048054.db2.gz MQZNXBDEFNXVOU-UONOGXRCSA-N 2 0 352.504 0.877 20 0 FCADRP C[N@H+](CCN1CC[NH+](C[C@H](O)Cn2cccn2)CC1)Cc1ccccc1 ZINC000066534122 208016256 /nfs/dbraw/zinc/01/62/56/208016256.db2.gz MAGDYCXHOPHMNL-FQEVSTJZSA-N 2 0 357.502 0.994 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1=O ZINC000105328447 208199222 /nfs/dbraw/zinc/19/92/22/208199222.db2.gz WNABXEBMODNAIL-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000112214473 208290763 /nfs/dbraw/zinc/29/07/63/208290763.db2.gz YKWQVUYGWWIWCO-QGZVFWFLSA-N 2 0 368.522 0.851 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118116002 208349658 /nfs/dbraw/zinc/34/96/58/208349658.db2.gz PMCOKSJORSKVGY-UHFFFAOYSA-N 2 0 350.463 0.424 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nocc1C ZINC000124623630 208450076 /nfs/dbraw/zinc/45/00/76/208450076.db2.gz OFFCWTSUKGQAMP-AWEZNQCLSA-N 2 0 351.451 0.796 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1=O ZINC000178811954 209061397 /nfs/dbraw/zinc/06/13/97/209061397.db2.gz PDJKOFIUYNEARI-DJIMGWMZSA-N 2 0 350.507 0.905 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000413188901 533479178 /nfs/dbraw/zinc/47/91/78/533479178.db2.gz VJYSRQUSZSUPFV-HOTGVXAUSA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413463041 533479748 /nfs/dbraw/zinc/47/97/48/533479748.db2.gz XZCQJXXFZQXPJJ-HOTGVXAUSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+](C)C1 ZINC000413346629 533480737 /nfs/dbraw/zinc/48/07/37/533480737.db2.gz IIKCXUDDYKXLBU-XJKSGUPXSA-N 2 0 358.508 0.170 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410497132 230103717 /nfs/dbraw/zinc/10/37/17/230103717.db2.gz IKGVANUUOTYHOS-KRWDZBQOSA-N 2 0 368.522 0.213 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410503307 230109285 /nfs/dbraw/zinc/10/92/85/230109285.db2.gz MOJJAYYXTNUHKO-INIZCTEOSA-N 2 0 356.511 0.356 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410956768 230325762 /nfs/dbraw/zinc/32/57/62/230325762.db2.gz ZKFQNWQPEUJCTQ-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1ccnc(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000411020572 230353075 /nfs/dbraw/zinc/35/30/75/230353075.db2.gz GLDYKZVRUULKQO-KRWDZBQOSA-N 2 0 373.501 0.980 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000933849251 674276589 /nfs/dbraw/zinc/27/65/89/674276589.db2.gz GPCLXWJXSJEUNV-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000475441703 484100273 /nfs/dbraw/zinc/10/02/73/484100273.db2.gz ADDCYEIINZKRIB-UHFFFAOYSA-N 2 0 350.467 0.374 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363788968 488885229 /nfs/dbraw/zinc/88/52/29/488885229.db2.gz DGXHZAKAUKQROZ-HNNXBMFYSA-N 2 0 353.511 0.570 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000287756899 488902631 /nfs/dbraw/zinc/90/26/31/488902631.db2.gz LWDIGDNDWXUALC-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562795852 491189939 /nfs/dbraw/zinc/18/99/39/491189939.db2.gz CGJXVOJYDDCOFQ-QGZVFWFLSA-N 3 0 360.506 0.974 20 0 FCADRP O[C@H](COC1CCOCC1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364016019 488913774 /nfs/dbraw/zinc/91/37/74/488913774.db2.gz VUDWFLRVBWTLRO-SFHVURJKSA-N 2 0 356.507 0.977 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000364278335 488942837 /nfs/dbraw/zinc/94/28/37/488942837.db2.gz INXUKEMLXUFTQK-AQNXPRMDSA-N 2 0 374.529 0.937 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)NCCOC)CC2)CC1 ZINC000025810765 487672312 /nfs/dbraw/zinc/67/23/12/487672312.db2.gz KRFTZXCQEJYDNZ-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000329039901 488962672 /nfs/dbraw/zinc/96/26/72/488962672.db2.gz HWHBAGLOUVAIRS-KRWDZBQOSA-N 2 0 366.506 0.111 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816609 491192047 /nfs/dbraw/zinc/19/20/47/491192047.db2.gz VETIDWDFMNSQAO-STQMWFEESA-N 2 0 351.417 0.558 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000569810239 491193810 /nfs/dbraw/zinc/19/38/10/491193810.db2.gz HYQPURDMZSWTEW-ZNMIVQPWSA-N 2 0 361.490 0.965 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609288 488353515 /nfs/dbraw/zinc/35/35/15/488353515.db2.gz JJGRFPCVLZJVNK-MSOLQXFVSA-N 2 0 370.538 0.735 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345248 488390712 /nfs/dbraw/zinc/39/07/12/488390712.db2.gz RCVWVFODBFIMNF-ZACQAIPSSA-N 2 0 367.538 0.993 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562831763 491194774 /nfs/dbraw/zinc/19/47/74/491194774.db2.gz RSTPTNQGNPAJLM-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CC1(C)NC(=O)N(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000075937849 488400510 /nfs/dbraw/zinc/40/05/10/488400510.db2.gz UAHFSJRREYWCEA-UHFFFAOYSA-N 2 0 352.479 0.751 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824719 491196244 /nfs/dbraw/zinc/19/62/44/491196244.db2.gz DSVWRCKKIJYPSY-IAGOWNOFSA-N 2 0 369.473 0.754 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000077173404 488409085 /nfs/dbraw/zinc/40/90/85/488409085.db2.gz NSDONTARQNCOTJ-IYBDPMFKSA-N 2 0 354.495 0.156 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN1CCCOCC1 ZINC000192934995 488425164 /nfs/dbraw/zinc/42/51/64/488425164.db2.gz BDXUZDDCOUPIFU-UHFFFAOYSA-N 2 0 373.523 0.062 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000192860856 488425242 /nfs/dbraw/zinc/42/52/42/488425242.db2.gz GCOMZVKAFOOQJR-UHFFFAOYSA-N 2 0 357.524 0.776 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195139835 488435538 /nfs/dbraw/zinc/43/55/38/488435538.db2.gz UQAOGNFUFTUEKC-IYBDPMFKSA-N 2 0 356.511 0.896 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000195140085 488435918 /nfs/dbraw/zinc/43/59/18/488435918.db2.gz UTFYJRBVMWDJQN-SFHVURJKSA-N 2 0 369.554 0.668 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236650694 488453222 /nfs/dbraw/zinc/45/32/22/488453222.db2.gz WPYZGTTZKVNVRZ-OAHLLOKOSA-N 2 0 370.563 0.824 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000236840930 488454002 /nfs/dbraw/zinc/45/40/02/488454002.db2.gz APWSQDPVIARUCA-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCSC)cn2)CC1 ZINC000236896052 488454043 /nfs/dbraw/zinc/45/40/43/488454043.db2.gz GLOPGHPZOAIGBP-OAHLLOKOSA-N 2 0 351.520 0.920 20 0 FCADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000268900274 488455946 /nfs/dbraw/zinc/45/59/46/488455946.db2.gz LDOCIGLGUWOBPD-CQSZACIVSA-N 2 0 368.503 0.237 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000246344078 488472541 /nfs/dbraw/zinc/47/25/41/488472541.db2.gz FAQITUCFDDSOQC-LSDHHAIUSA-N 2 0 364.494 0.620 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246774597 488475264 /nfs/dbraw/zinc/47/52/64/488475264.db2.gz IFEMCRCBYUUCRB-DLBZAZTESA-N 2 0 356.511 0.632 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752588 488475314 /nfs/dbraw/zinc/47/53/14/488475314.db2.gz XNAOTWQRVRLRCP-DOTOQJQBSA-N 2 0 365.522 0.807 20 0 FCADRP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@@H]1CC[NH2+]C1 ZINC000246905441 488477443 /nfs/dbraw/zinc/47/74/43/488477443.db2.gz KAHNFBLAPBJNHT-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@H]1CC[NH2+]C1 ZINC000246905476 488477711 /nfs/dbraw/zinc/47/77/11/488477711.db2.gz KAHNFBLAPBJNHT-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247070997 488481387 /nfs/dbraw/zinc/48/13/87/488481387.db2.gz OPFQYXBLPHONIA-QZTJIDSGSA-N 2 0 368.522 0.707 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)CC1=O ZINC000247117960 488481605 /nfs/dbraw/zinc/48/16/05/488481605.db2.gz LCMGCMDVOCAXCS-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288103 488487184 /nfs/dbraw/zinc/48/71/84/488487184.db2.gz JQJRKXHUVLFTQA-OALUTQOASA-N 2 0 360.502 0.860 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000101764844 488496275 /nfs/dbraw/zinc/49/62/75/488496275.db2.gz WTUZPSKKUWIBQK-INIZCTEOSA-N 2 0 353.511 0.714 20 0 FCADRP CC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000102049247 488497550 /nfs/dbraw/zinc/49/75/50/488497550.db2.gz FQTYAQYALYCBKL-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103314384 488500801 /nfs/dbraw/zinc/50/08/01/488500801.db2.gz JLUJGWAAMNKENG-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104778522 488506017 /nfs/dbraw/zinc/50/60/17/488506017.db2.gz IWQDGCNDDQGASF-HNNXBMFYSA-N 2 0 353.511 0.746 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1 ZINC000569926674 491203964 /nfs/dbraw/zinc/20/39/64/491203964.db2.gz PILUMXHKOASGJU-DLBZAZTESA-N 2 0 363.506 0.465 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CN3C[C@H](CO)O[C@@H](C)C3)c2)C[C@@H](CO)O1 ZINC000249490690 488510494 /nfs/dbraw/zinc/51/04/94/488510494.db2.gz VGRXGFNHUNAUOI-OBMJPTGESA-N 2 0 364.486 0.850 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000107329364 488517425 /nfs/dbraw/zinc/51/74/25/488517425.db2.gz KSRRNKMVGOMIQS-UHFFFAOYSA-N 2 0 365.522 0.810 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000107329961 488517581 /nfs/dbraw/zinc/51/75/81/488517581.db2.gz XOICWTFHWWWRRO-OAHLLOKOSA-N 2 0 365.522 0.855 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108555032 488519359 /nfs/dbraw/zinc/51/93/59/488519359.db2.gz KTGWLTMGILERHM-KRWDZBQOSA-N 2 0 365.522 0.761 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000111510462 488529565 /nfs/dbraw/zinc/52/95/65/488529565.db2.gz HDFCSAOCESPPNL-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261687529 488530934 /nfs/dbraw/zinc/53/09/34/488530934.db2.gz HIXIKTRBNBTFOS-MSOLQXFVSA-N 2 0 362.474 0.758 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000261695175 488531155 /nfs/dbraw/zinc/53/11/55/488531155.db2.gz DHTIZAFCVJDYNW-YYIAUSFCSA-N 2 0 366.506 0.202 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843867 488537985 /nfs/dbraw/zinc/53/79/85/488537985.db2.gz PSYLXRPZWHSTMW-HOCLYGCPSA-N 2 0 369.307 0.985 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000114019286 488539335 /nfs/dbraw/zinc/53/93/35/488539335.db2.gz VVOQLJHOYYCPMR-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261885998 488539849 /nfs/dbraw/zinc/53/98/49/488539849.db2.gz PXBCJWDSKQYKJE-WCXIOVBPSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(CC[C@H]1CC[NH2+]C1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000261918087 488541416 /nfs/dbraw/zinc/54/14/16/488541416.db2.gz XGNKAAKJCYAODY-INIZCTEOSA-N 2 0 359.474 0.626 20 0 FCADRP O=C(CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000262006745 488545552 /nfs/dbraw/zinc/54/55/52/488545552.db2.gz FCZVPMWOQGBBEO-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000262058180 488548074 /nfs/dbraw/zinc/54/80/74/488548074.db2.gz RMNQTHXFEZZNEB-GXFFZTMASA-N 2 0 360.384 0.053 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000118094138 488553068 /nfs/dbraw/zinc/55/30/68/488553068.db2.gz OXAUUKUQPKSQQR-UHFFFAOYSA-N 2 0 361.490 0.440 20 0 FCADRP C[N@H+](CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000262152185 488553843 /nfs/dbraw/zinc/55/38/43/488553843.db2.gz PGRYROKKBHPARH-UHFFFAOYSA-N 3 0 373.545 0.558 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)c2)CC1 ZINC000262314274 488563476 /nfs/dbraw/zinc/56/34/76/488563476.db2.gz DDWDMSGWUBBJLY-FQEVSTJZSA-N 2 0 371.529 0.554 20 0 FCADRP Cc1ccc2nc(CNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)cn2c1 ZINC000262319590 488563907 /nfs/dbraw/zinc/56/39/07/488563907.db2.gz FBAJAFQXHWYKDY-UHFFFAOYSA-N 2 0 350.444 0.426 20 0 FCADRP COC[C@H]([NH3+])C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000262337885 488564821 /nfs/dbraw/zinc/56/48/21/488564821.db2.gz SIASLPIPYMKBKC-SFHVURJKSA-N 2 0 365.474 0.766 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000121129639 488565013 /nfs/dbraw/zinc/56/50/13/488565013.db2.gz KEQKDZPCXQEVRI-SJLPKXTDSA-N 2 0 358.527 0.735 20 0 FCADRP COCC[NH2+]CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262632287 488583347 /nfs/dbraw/zinc/58/33/47/488583347.db2.gz FVOIBGUDVJMAQK-KRWDZBQOSA-N 2 0 362.474 0.236 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000124623886 488594387 /nfs/dbraw/zinc/59/43/87/488594387.db2.gz WIXCUOBWGNBAQZ-OAHLLOKOSA-N 2 0 364.494 0.542 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1(C)C ZINC000262803271 488594424 /nfs/dbraw/zinc/59/44/24/488594424.db2.gz RQYJLXJHVUKVHU-MDZRGWNJSA-N 2 0 354.539 0.909 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]([NH3+])c2ccccc2)cn1 ZINC000262867972 488597524 /nfs/dbraw/zinc/59/75/24/488597524.db2.gz LZCGNOSYHSDYSG-INIZCTEOSA-N 2 0 358.446 0.590 20 0 FCADRP CC(C)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCN(C)CC1 ZINC000262889322 488598234 /nfs/dbraw/zinc/59/82/34/488598234.db2.gz ZZSSDYKYTGSAQT-AEFFLSMTSA-N 2 0 362.522 0.809 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000554584957 491211269 /nfs/dbraw/zinc/21/12/69/491211269.db2.gz RFTDDPQSJKQMQC-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)nc2)CC1 ZINC000563060851 491211386 /nfs/dbraw/zinc/21/13/86/491211386.db2.gz KTFIWUCSUXBVDZ-HNNXBMFYSA-N 2 0 360.462 0.030 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000263226023 488606733 /nfs/dbraw/zinc/60/67/33/488606733.db2.gz GNGIDLXUPVBFQZ-BQFCYCMXSA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263259016 488607832 /nfs/dbraw/zinc/60/78/32/488607832.db2.gz RYWTYCMOIFACJT-HKUYNNGSSA-N 2 0 360.502 0.767 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000263265335 488608529 /nfs/dbraw/zinc/60/85/29/488608529.db2.gz UZJWCOOIGUPXFP-MPGHIAIKSA-N 2 0 368.522 0.434 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCCC2)CC1 ZINC000263267549 488608542 /nfs/dbraw/zinc/60/85/42/488608542.db2.gz VPVFSJSCLKPLMC-KRWDZBQOSA-N 2 0 368.522 0.626 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000563064026 491212301 /nfs/dbraw/zinc/21/23/01/491212301.db2.gz OGKTVLKSIAWSBR-INIZCTEOSA-N 2 0 364.515 0.945 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000570062597 491213137 /nfs/dbraw/zinc/21/31/37/491213137.db2.gz QCXUMDJMQIXUGC-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000563075695 491213297 /nfs/dbraw/zinc/21/32/97/491213297.db2.gz NAATYTGWSFVACD-HNAYVOBHSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000563076872 491213371 /nfs/dbraw/zinc/21/33/71/491213371.db2.gz KDRMUSNPRBGYGC-FQEVSTJZSA-N 2 0 361.486 0.886 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563077670 491213411 /nfs/dbraw/zinc/21/34/11/491213411.db2.gz NFCPHUOPTBOSJA-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000130611638 488639326 /nfs/dbraw/zinc/63/93/26/488639326.db2.gz BHLKVJNADWREHY-UHFFFAOYSA-N 2 0 350.463 0.894 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000134030382 488663825 /nfs/dbraw/zinc/66/38/25/488663825.db2.gz CUWLFURKIOKSHO-SJORKVTESA-N 2 0 370.563 0.335 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000134144734 488664958 /nfs/dbraw/zinc/66/49/58/488664958.db2.gz FAQITUCFDDSOQC-GJZGRUSLSA-N 2 0 364.494 0.620 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000134163390 488665114 /nfs/dbraw/zinc/66/51/14/488665114.db2.gz UNDSLSAZJQZSNY-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136934443 488679683 /nfs/dbraw/zinc/67/96/83/488679683.db2.gz UJJYWXWJAPDZJV-MRXNPFEDSA-N 2 0 350.463 0.863 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000138616614 488682812 /nfs/dbraw/zinc/68/28/12/488682812.db2.gz KSLBYWIPKQYZSP-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000138884036 488683191 /nfs/dbraw/zinc/68/31/91/488683191.db2.gz YMQUMYPYZOWDJK-KRWDZBQOSA-N 2 0 365.522 0.666 20 0 FCADRP C[C@@H](CNC(=O)Cc1ccc(CC(=O)NC[C@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000274199136 488689630 /nfs/dbraw/zinc/68/96/30/488689630.db2.gz RHIKFZLEIAMZMU-HOTGVXAUSA-N 2 0 362.518 0.904 20 0 FCADRP CC[NH+](CC)CCOc1cc(NC(=O)CNC(=O)C[NH3+])ccc1OC ZINC000274426892 488707283 /nfs/dbraw/zinc/70/72/83/488707283.db2.gz MRBSNODUVHSWJB-UHFFFAOYSA-N 2 0 352.435 0.429 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)nc1 ZINC000152186499 488714173 /nfs/dbraw/zinc/71/41/73/488714173.db2.gz OEZPZDLJBWSOSI-UHFFFAOYSA-N 2 0 353.442 0.891 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842949 488718615 /nfs/dbraw/zinc/71/86/15/488718615.db2.gz LJYGMUWIHYXKNG-IRXDYDNUSA-N 2 0 351.470 0.973 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153276565 488729813 /nfs/dbraw/zinc/72/98/13/488729813.db2.gz GHYHUYBPZLITPD-AWEZNQCLSA-N 2 0 350.467 0.374 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155484243 488755653 /nfs/dbraw/zinc/75/56/53/488755653.db2.gz ZSUAALXFLQXPHS-SFHVURJKSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCSC1 ZINC000267261421 488773091 /nfs/dbraw/zinc/77/30/91/488773091.db2.gz CVLLJGPIEPKGJV-KRWDZBQOSA-N 2 0 374.470 0.759 20 0 FCADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000162533117 488803159 /nfs/dbraw/zinc/80/31/59/488803159.db2.gz YDMFTINJXCUPJG-HNNXBMFYSA-N 2 0 354.520 0.883 20 0 FCADRP COC1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000166455782 488811859 /nfs/dbraw/zinc/81/18/59/488811859.db2.gz TWRVAVVBBUZMAM-UHFFFAOYSA-N 2 0 362.474 0.363 20 0 FCADRP COC1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC[NH2+]CC1 ZINC000166613374 488811942 /nfs/dbraw/zinc/81/19/42/488811942.db2.gz FDDPSDKTCCLYAO-IAGOWNOFSA-N 2 0 352.523 0.772 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000171195117 488820961 /nfs/dbraw/zinc/82/09/61/488820961.db2.gz PYJONUSRXBUOLY-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000570189003 491223239 /nfs/dbraw/zinc/22/32/39/491223239.db2.gz VZWCQQOZUXRUSJ-HOCLYGCPSA-N 2 0 362.474 0.246 20 0 FCADRP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172159254 488830769 /nfs/dbraw/zinc/83/07/69/488830769.db2.gz OMBWBIPQQNCHOC-GOEBONIOSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000172454630 488834305 /nfs/dbraw/zinc/83/43/05/488834305.db2.gz NDRSDKTZCJPIPI-UHFFFAOYSA-N 2 0 368.522 0.851 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000173487763 488843062 /nfs/dbraw/zinc/84/30/62/488843062.db2.gz OVWUNKLGBUVSPI-QZTJIDSGSA-N 2 0 369.554 0.526 20 0 FCADRP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000173741542 488845024 /nfs/dbraw/zinc/84/50/24/488845024.db2.gz UFIXZNMYXUMQED-KRWDZBQOSA-N 2 0 368.570 0.195 20 0 FCADRP C[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000174485589 488849408 /nfs/dbraw/zinc/84/94/08/488849408.db2.gz NLQMZCZGUAIPCK-UHFFFAOYSA-N 2 0 359.518 0.562 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCN3CC[NH+](C)CC3)CC2)c1 ZINC000174485916 488849485 /nfs/dbraw/zinc/84/94/85/488849485.db2.gz TZAKVOQSWQVWSS-UHFFFAOYSA-N 2 0 373.545 0.871 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000174785334 488851113 /nfs/dbraw/zinc/85/11/13/488851113.db2.gz RMSYBLRTPDHULK-IRXDYDNUSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000178001889 488859880 /nfs/dbraw/zinc/85/98/80/488859880.db2.gz APUSKCXCSFROJJ-FQEVSTJZSA-N 2 0 359.470 0.722 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC(=O)N(C2CC2)C1 ZINC000280062332 488982538 /nfs/dbraw/zinc/98/25/38/488982538.db2.gz LIXSNAJFPONXAE-UHFFFAOYSA-N 2 0 372.473 0.567 20 0 FCADRP CC[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000554796999 491225783 /nfs/dbraw/zinc/22/57/83/491225783.db2.gz UYEBROSDFRINRE-DLBZAZTESA-N 2 0 368.522 0.545 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000288533837 488989361 /nfs/dbraw/zinc/98/93/61/488989361.db2.gz DSWQYINOFLYGEM-AWEZNQCLSA-N 2 0 367.446 0.532 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000364878594 489013374 /nfs/dbraw/zinc/01/33/74/489013374.db2.gz RFLPLFJHKDUICS-LQDVMPOASA-N 2 0 366.487 0.783 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000570278634 491229850 /nfs/dbraw/zinc/22/98/50/491229850.db2.gz HCJVLEGWCLQMQP-LMMKCTJWSA-N 2 0 356.470 0.636 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1noc(C)c1C ZINC000570298725 491231339 /nfs/dbraw/zinc/23/13/39/491231339.db2.gz DIGCNWFILJBXHP-HNNXBMFYSA-N 2 0 365.478 1.104 20 0 FCADRP CN(CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1)CC[NH+](C)C ZINC000289561028 489077821 /nfs/dbraw/zinc/07/78/21/489077821.db2.gz XUEDSFBKQSDVPN-UHFFFAOYSA-N 2 0 356.536 0.780 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000290072731 489112178 /nfs/dbraw/zinc/11/21/78/489112178.db2.gz WCMHXIBGNNZPCF-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000331372559 489203027 /nfs/dbraw/zinc/20/30/27/489203027.db2.gz FFNQCWMKFPIYGA-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCO1 ZINC000331385401 489204608 /nfs/dbraw/zinc/20/46/08/489204608.db2.gz KPDDSVVDSZAEND-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331426102 489209183 /nfs/dbraw/zinc/20/91/83/489209183.db2.gz POPGDJQAPVAHII-NXOAAHMSSA-N 2 0 350.507 0.905 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331426098 489209282 /nfs/dbraw/zinc/20/92/82/489209282.db2.gz POPGDJQAPVAHII-LUKYLMHMSA-N 2 0 350.507 0.905 20 0 FCADRP O=C1NC2(CCOCC2)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348403081 489270031 /nfs/dbraw/zinc/27/00/31/489270031.db2.gz ZKJDEGIAULCSDX-UHFFFAOYSA-N 2 0 373.457 0.695 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540520 489272604 /nfs/dbraw/zinc/27/26/04/489272604.db2.gz RSIUZZUDNFEEDV-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263613 489308544 /nfs/dbraw/zinc/30/85/44/489308544.db2.gz KXYNRCMSSFWXFY-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP CN(CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000285861065 489327515 /nfs/dbraw/zinc/32/75/15/489327515.db2.gz YZLCYHRNZDVVPL-UHFFFAOYSA-N 2 0 371.478 0.541 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CCCO1 ZINC000563471580 491250069 /nfs/dbraw/zinc/25/00/69/491250069.db2.gz FTTWLVOOJSOYTJ-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698769 489363223 /nfs/dbraw/zinc/36/32/23/489363223.db2.gz CDCWLIHNSABFDX-MAUKXSAKSA-N 2 0 370.497 0.590 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000370468562 489363631 /nfs/dbraw/zinc/36/36/31/489363631.db2.gz JKVCGOUDNSCULL-OAFZBRQQSA-N 2 0 353.507 0.992 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)c1 ZINC000286437192 489391341 /nfs/dbraw/zinc/39/13/41/489391341.db2.gz HQXMIKFCIBDEHH-CQSZACIVSA-N 2 0 363.462 0.195 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362705199 489393437 /nfs/dbraw/zinc/39/34/37/489393437.db2.gz WRNZURPBTRMBDB-HXUWFJFHSA-N 2 0 371.529 0.705 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563532135 491252915 /nfs/dbraw/zinc/25/29/15/491252915.db2.gz IGSCQZKROVDQFS-HRCADAONSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299540830 489453540 /nfs/dbraw/zinc/45/35/40/489453540.db2.gz VNRNLUCWKVPEPU-UHFFFAOYSA-N 3 0 360.506 0.987 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394468 489462408 /nfs/dbraw/zinc/46/24/08/489462408.db2.gz AQJOZIUNCKAYNK-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[C@H](C)[NH2+]1 ZINC000423092280 489493065 /nfs/dbraw/zinc/49/30/65/489493065.db2.gz BGFWKTVVZAETKH-GJZGRUSLSA-N 2 0 364.465 0.925 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423120406 489494831 /nfs/dbraw/zinc/49/48/31/489494831.db2.gz GKRWEQXCFPZREV-BPQIPLTHSA-N 2 0 358.486 0.740 20 0 FCADRP CN(C)c1ncc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000414320214 489496206 /nfs/dbraw/zinc/49/62/06/489496206.db2.gz BMTNQXDTFRSXPU-UHFFFAOYSA-N 2 0 372.521 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000423161905 489498269 /nfs/dbraw/zinc/49/82/69/489498269.db2.gz JZJITHPCGDCASY-CQSZACIVSA-N 2 0 350.438 0.536 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000563626239 491259293 /nfs/dbraw/zinc/25/92/93/491259293.db2.gz WHKUGTJTGLHVSY-QGZVFWFLSA-N 2 0 374.466 0.749 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000423198365 489501647 /nfs/dbraw/zinc/50/16/47/489501647.db2.gz FMYKQVMKMCIMRE-QGZVFWFLSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000423201041 489501819 /nfs/dbraw/zinc/50/18/19/489501819.db2.gz HCRARPNTQZWILC-CYBMUJFWSA-N 2 0 368.428 0.675 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423204621 489502532 /nfs/dbraw/zinc/50/25/32/489502532.db2.gz OBCSFVRBRJJUDS-LJQANCHMSA-N 2 0 364.465 0.913 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423218412 489504188 /nfs/dbraw/zinc/50/41/88/489504188.db2.gz VLGQAFKFCUUVEJ-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000414590883 489506400 /nfs/dbraw/zinc/50/64/00/489506400.db2.gz ARERHJCMDYLVBU-CVEARBPZSA-N 2 0 368.522 0.090 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423237044 489506462 /nfs/dbraw/zinc/50/64/62/489506462.db2.gz HXEFRUYQLOCAPU-SFHVURJKSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423252803 489507185 /nfs/dbraw/zinc/50/71/85/489507185.db2.gz UUKGMGISLVXNBY-GPMSIDNRSA-N 2 0 366.506 0.001 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423258444 489507780 /nfs/dbraw/zinc/50/77/80/489507780.db2.gz MCRPJWISYDFZOY-MOPGFXCFSA-N 2 0 372.513 0.953 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000563627438 491259683 /nfs/dbraw/zinc/25/96/83/491259683.db2.gz ALXJAKYLYQVGDY-MAUKXSAKSA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423265438 489509030 /nfs/dbraw/zinc/50/90/30/489509030.db2.gz RAXQKRXSVODFEM-CVEARBPZSA-N 2 0 356.511 0.247 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423273123 489509646 /nfs/dbraw/zinc/50/96/46/489509646.db2.gz ZWMFKSVVJNIEKG-BBWFWOEESA-N 2 0 368.522 0.389 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423301091 489513178 /nfs/dbraw/zinc/51/31/78/489513178.db2.gz FLSAUMQOHJRXOJ-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000563637984 491260099 /nfs/dbraw/zinc/26/00/99/491260099.db2.gz QXIFQVICXHBJTF-NCOADZHNSA-N 2 0 357.458 0.385 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000415540002 489527800 /nfs/dbraw/zinc/52/78/00/489527800.db2.gz NIVCGWYKRLWHTK-GOSISDBHSA-N 2 0 373.501 0.616 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415546915 489528358 /nfs/dbraw/zinc/52/83/58/489528358.db2.gz NXAQQCLAAHCGOU-UHFFFAOYSA-N 2 0 361.490 0.833 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371959600 489528754 /nfs/dbraw/zinc/52/87/54/489528754.db2.gz KUIUSLZOIQCRON-UHFFFAOYSA-N 2 0 369.554 0.624 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1Cl ZINC000555631212 491260991 /nfs/dbraw/zinc/26/09/91/491260991.db2.gz HWBVHJDGXXHFHJ-UHFFFAOYSA-N 2 0 354.882 0.908 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000415592750 489533970 /nfs/dbraw/zinc/53/39/70/489533970.db2.gz CMHNCCYLZLWQRR-QGZVFWFLSA-N 2 0 360.458 0.450 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000451990013 489535967 /nfs/dbraw/zinc/53/59/67/489535967.db2.gz QVPRMRFZQHUGKT-INIZCTEOSA-N 2 0 356.511 0.306 20 0 FCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000415701955 489542420 /nfs/dbraw/zinc/54/24/20/489542420.db2.gz CODWEWVUGZRPFH-IBGZPJMESA-N 2 0 362.474 0.614 20 0 FCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCC[NH2+]1 ZINC000415716149 489544693 /nfs/dbraw/zinc/54/46/93/489544693.db2.gz ZUKQJGHKBTXGTR-LJQANCHMSA-N 2 0 362.474 0.880 20 0 FCADRP COc1cnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000555642319 491261963 /nfs/dbraw/zinc/26/19/63/491261963.db2.gz VDLNGQJHIWIVLD-UHFFFAOYSA-N 2 0 356.430 0.822 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1C[NH2+]C1 ZINC000415746493 489549604 /nfs/dbraw/zinc/54/96/04/489549604.db2.gz SWTJJWVQNABKMA-UHFFFAOYSA-N 2 0 360.458 0.920 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415754431 489550015 /nfs/dbraw/zinc/55/00/15/489550015.db2.gz ZMEXNBWTCFFLHN-GJZGRUSLSA-N 2 0 360.458 0.633 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415754433 489550090 /nfs/dbraw/zinc/55/00/90/489550090.db2.gz ZMEXNBWTCFFLHN-LSDHHAIUSA-N 2 0 360.458 0.633 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000415832278 489556786 /nfs/dbraw/zinc/55/67/86/489556786.db2.gz GNFZFUSQSMMUMB-NVXWUHKLSA-N 2 0 373.501 0.881 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870548 489562481 /nfs/dbraw/zinc/56/24/81/489562481.db2.gz TVRBGFPMFSMRMG-CRAIPNDOSA-N 2 0 374.485 0.962 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+]1CCN(C)CC1 ZINC000415992760 489567252 /nfs/dbraw/zinc/56/72/52/489567252.db2.gz HQNAZMKCNLMCDL-OLZOCXBDSA-N 2 0 353.433 0.837 20 0 FCADRP CCN1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000454435356 489569515 /nfs/dbraw/zinc/56/95/15/489569515.db2.gz WAAWIWMVERHDOB-INIZCTEOSA-N 2 0 374.489 0.514 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454641937 489573935 /nfs/dbraw/zinc/57/39/35/489573935.db2.gz FPDGUYHMHMRZRA-ARFHVFGLSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[N@H+]1C ZINC000454642088 489574145 /nfs/dbraw/zinc/57/41/45/489574145.db2.gz FWGASDDJGHTHEY-XHSDSOJGSA-N 2 0 353.511 0.663 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426567630 489575633 /nfs/dbraw/zinc/57/56/33/489575633.db2.gz LMOSUTNCLZHOTO-SJORKVTESA-N 2 0 368.522 0.510 20 0 FCADRP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000426901999 489585811 /nfs/dbraw/zinc/58/58/11/489585811.db2.gz ZLTYHRFQVFMFGM-KBUPBQIOSA-N 2 0 363.510 0.513 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000563709595 491264962 /nfs/dbraw/zinc/26/49/62/491264962.db2.gz SYGRKGYBANLQRR-IRXDYDNUSA-N 2 0 360.506 0.883 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000416433515 489592403 /nfs/dbraw/zinc/59/24/03/489592403.db2.gz PRJYOOWUTSLVBN-KGLIPLIRSA-N 2 0 367.519 0.847 20 0 FCADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000563725252 491265748 /nfs/dbraw/zinc/26/57/48/491265748.db2.gz KVHMXWXUTKHXMG-FXAWDEMLSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591691 489614971 /nfs/dbraw/zinc/61/49/71/489614971.db2.gz MMTCUUGOVFLXLX-CZUORRHYSA-N 2 0 374.489 0.687 20 0 FCADRP COCCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000427739030 489619040 /nfs/dbraw/zinc/61/90/40/489619040.db2.gz DXCUKXQSVJLAQY-INIZCTEOSA-N 2 0 368.522 0.356 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000570817824 491267026 /nfs/dbraw/zinc/26/70/26/491267026.db2.gz HTFWKJXMGCGOEU-OAHLLOKOSA-N 2 0 368.547 0.662 20 0 FCADRP CC1(C)CC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000416792887 489629059 /nfs/dbraw/zinc/62/90/59/489629059.db2.gz MOFTYIPBLOPNJU-ZDUSSCGKSA-N 2 0 353.511 0.792 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000416834894 489631289 /nfs/dbraw/zinc/63/12/89/489631289.db2.gz XUTOIJFRNXSWBS-ZDUSSCGKSA-N 2 0 365.444 0.996 20 0 FCADRP COCC1(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[NH2+]CC1 ZINC000416858462 489631743 /nfs/dbraw/zinc/63/17/43/489631743.db2.gz AHAWQBYIKNMTRU-INIZCTEOSA-N 2 0 356.511 0.659 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416868351 489631819 /nfs/dbraw/zinc/63/18/19/489631819.db2.gz FBMBQPAIVJEYMU-CQSZACIVSA-N 2 0 365.444 0.998 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417003387 489638229 /nfs/dbraw/zinc/63/82/29/489638229.db2.gz HIGYURDAINQRSY-SFHVURJKSA-N 2 0 373.501 0.541 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417022191 489639094 /nfs/dbraw/zinc/63/90/94/489639094.db2.gz OARMIAWXXZGKFM-SFHVURJKSA-N 2 0 361.490 0.486 20 0 FCADRP C[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000417154865 489643877 /nfs/dbraw/zinc/64/38/77/489643877.db2.gz LBUFTJJNZWWDCZ-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417285881 489646138 /nfs/dbraw/zinc/64/61/38/489646138.db2.gz IEDZNQILWWKPOR-OLZOCXBDSA-N 2 0 353.433 0.852 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417342187 489648775 /nfs/dbraw/zinc/64/87/75/489648775.db2.gz CKKCOBCYDRYFNR-INIZCTEOSA-N 2 0 350.463 0.805 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000417363645 489649537 /nfs/dbraw/zinc/64/95/37/489649537.db2.gz AUPBRSUSPGMPMB-IAGOWNOFSA-N 3 0 360.506 0.986 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000417361657 489649675 /nfs/dbraw/zinc/64/96/75/489649675.db2.gz CXKSQUTXTRCEAV-KRWDZBQOSA-N 3 0 360.506 0.893 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417382240 489650530 /nfs/dbraw/zinc/65/05/30/489650530.db2.gz JINFWMZARRCFTE-AEFFLSMTSA-N 3 0 358.490 0.597 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417378730 489650587 /nfs/dbraw/zinc/65/05/87/489650587.db2.gz FLONJCJIWGZKDB-QZTJIDSGSA-N 3 0 372.517 0.845 20 0 FCADRP C[C@H](NC(=O)N(CC[NH3+])CCO)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417420620 489651580 /nfs/dbraw/zinc/65/15/80/489651580.db2.gz KGHBAKCIUXZSNR-AWEZNQCLSA-N 2 0 367.469 0.601 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000457610541 489651801 /nfs/dbraw/zinc/65/18/01/489651801.db2.gz UTBOPSOEODDCNK-DLBZAZTESA-N 2 0 356.511 0.489 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417429040 489652901 /nfs/dbraw/zinc/65/29/01/489652901.db2.gz MPDJOKRUNDFJAC-JYJNAYRXSA-N 2 0 353.511 0.746 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417447368 489654204 /nfs/dbraw/zinc/65/42/04/489654204.db2.gz PDMNAZCZGYBENR-UNEWFSDZSA-N 2 0 353.511 0.663 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000417483959 489656180 /nfs/dbraw/zinc/65/61/80/489656180.db2.gz TXWHPNJPWGKPNZ-KRWDZBQOSA-N 2 0 350.463 0.886 20 0 FCADRP C[C@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542251 489657753 /nfs/dbraw/zinc/65/77/53/489657753.db2.gz DHAVVUVENRVNHS-YJBOKZPZSA-N 2 0 373.501 0.887 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417550127 489658162 /nfs/dbraw/zinc/65/81/62/489658162.db2.gz UNPLRQUQRXMRHF-PBHICJAKSA-N 2 0 361.490 0.778 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C1 ZINC000417547885 489658361 /nfs/dbraw/zinc/65/83/61/489658361.db2.gz PQSZWBNUQKJCCV-WNRNVDISSA-N 2 0 371.485 0.401 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000417675849 489661148 /nfs/dbraw/zinc/66/11/48/489661148.db2.gz DBMXEHGYYHEUBL-GJZGRUSLSA-N 2 0 355.527 0.849 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000417710341 489662327 /nfs/dbraw/zinc/66/23/27/489662327.db2.gz PIFCYPHQBKQNHK-CABCVRRESA-N 2 0 351.495 0.500 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417745752 489663950 /nfs/dbraw/zinc/66/39/50/489663950.db2.gz FJJFGGVOYWFXAO-RYQLBKOJSA-N 2 0 351.539 0.947 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417746642 489664073 /nfs/dbraw/zinc/66/40/73/489664073.db2.gz HLSQNNYHXLVWCW-INIZCTEOSA-N 2 0 353.511 0.890 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1=O ZINC000428956949 489668652 /nfs/dbraw/zinc/66/86/52/489668652.db2.gz ZICALADQDJVLME-YLFCFFPRSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CCO[C@H]([C@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956972 489673075 /nfs/dbraw/zinc/67/30/75/489673075.db2.gz TZWSUEBNYPQJBS-JKSUJKDBSA-N 2 0 370.881 0.674 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418020241 489676047 /nfs/dbraw/zinc/67/60/47/489676047.db2.gz MSESZCZKCDBLDQ-SJORKVTESA-N 2 0 356.511 0.883 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000418060175 489677182 /nfs/dbraw/zinc/67/71/82/489677182.db2.gz OOZTYFVZZYNWAI-GFCCVEGCSA-N 2 0 351.417 0.606 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418067202 489677508 /nfs/dbraw/zinc/67/75/08/489677508.db2.gz BHCTWSYUPVCHHX-GOSISDBHSA-N 2 0 364.490 0.813 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418104234 489678316 /nfs/dbraw/zinc/67/83/16/489678316.db2.gz XHZPDIQEXIZRCA-HUUCEWRRSA-N 2 0 353.511 0.603 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000458406352 489681421 /nfs/dbraw/zinc/68/14/21/489681421.db2.gz CBKPRFWMAMNKCG-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462157 489684387 /nfs/dbraw/zinc/68/43/87/489684387.db2.gz PUDOTNVYGKRZEH-QZTJIDSGSA-N 2 0 369.554 0.406 20 0 FCADRP [NH3+]CCNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000418245410 489686011 /nfs/dbraw/zinc/68/60/11/489686011.db2.gz DYCCOAVHONQVQB-UHFFFAOYSA-N 2 0 361.490 0.616 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297140 489689478 /nfs/dbraw/zinc/68/94/78/489689478.db2.gz KMMFYXGINJOMPE-LJQANCHMSA-N 2 0 374.533 0.983 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418313587 489690703 /nfs/dbraw/zinc/69/07/03/489690703.db2.gz QQAWTPCTZYPOOD-CVEARBPZSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000563825694 491271721 /nfs/dbraw/zinc/27/17/21/491271721.db2.gz DXJRNDPBULFJMV-INIZCTEOSA-N 2 0 369.554 0.223 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418414359 489697145 /nfs/dbraw/zinc/69/71/45/489697145.db2.gz RQDBIVMORHWJTR-HOTGVXAUSA-N 2 0 353.511 0.795 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418442300 489699518 /nfs/dbraw/zinc/69/95/18/489699518.db2.gz JREKKJVMWJSJPN-OAGGEKHMSA-N 2 0 353.511 0.794 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418483601 489701986 /nfs/dbraw/zinc/70/19/86/489701986.db2.gz ZKASXJBZIGHVDZ-IRXDYDNUSA-N 2 0 361.490 0.312 20 0 FCADRP CC1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000418526033 489704363 /nfs/dbraw/zinc/70/43/63/489704363.db2.gz ZACWIAMKJKJHGJ-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000563849106 491272592 /nfs/dbraw/zinc/27/25/92/491272592.db2.gz LDVVKEFIBCYIDU-HZPDHXFCSA-N 2 0 371.533 0.816 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000418565587 489707848 /nfs/dbraw/zinc/70/78/48/489707848.db2.gz VNTIAMPXUWEETF-SCTDSRPQSA-N 2 0 362.474 0.507 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418569987 489707876 /nfs/dbraw/zinc/70/78/76/489707876.db2.gz PXATYYLPPUGUSI-CPUCHLNUSA-N 2 0 367.444 0.613 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418605632 489709355 /nfs/dbraw/zinc/70/93/55/489709355.db2.gz AYCSSHMMDXZKSW-ZIAGYGMSSA-N 2 0 365.444 0.948 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418610851 489710018 /nfs/dbraw/zinc/71/00/18/489710018.db2.gz HBUCYHGTHUZMHJ-ZDUSSCGKSA-N 2 0 351.417 0.560 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418623417 489712033 /nfs/dbraw/zinc/71/20/33/489712033.db2.gz XEACLZALJYZYOG-DGCLKSJQSA-N 2 0 351.417 0.591 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418624953 489712566 /nfs/dbraw/zinc/71/25/66/489712566.db2.gz ZZKYDUNCGNXCPQ-MGPQQGTHSA-N 2 0 365.444 0.887 20 0 FCADRP COC[C@@]1(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000418635080 489713544 /nfs/dbraw/zinc/71/35/44/489713544.db2.gz KDWUGJOPSUHEJI-SFHVURJKSA-N 2 0 355.527 0.422 20 0 FCADRP COCC1(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000418642716 489714138 /nfs/dbraw/zinc/71/41/38/489714138.db2.gz RZFIAUTXAPRXCL-MRXNPFEDSA-N 2 0 356.511 0.395 20 0 FCADRP COC[C@@]1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000418642760 489714296 /nfs/dbraw/zinc/71/42/96/489714296.db2.gz TXJPCJWDKAFQFE-SFHVURJKSA-N 2 0 369.510 0.046 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418649085 489715260 /nfs/dbraw/zinc/71/52/60/489715260.db2.gz VPTDDHAUCXKWCW-GJZGRUSLSA-N 2 0 353.511 0.794 20 0 FCADRP CC(C)C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(=O)NCC[NH+](C)C ZINC000418663025 489716321 /nfs/dbraw/zinc/71/63/21/489716321.db2.gz WCJINAWMVMZXMQ-BBWFWOEESA-N 2 0 367.538 0.766 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000489542012 489716850 /nfs/dbraw/zinc/71/68/50/489716850.db2.gz AAOIXSUPZYBTFM-ZWKOTPCHSA-N 2 0 369.554 0.549 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1)[C@@H]1CCC[NH2+]1 ZINC000570923982 491273889 /nfs/dbraw/zinc/27/38/89/491273889.db2.gz PLDLAVDFMMAABR-IPELMVKDSA-N 2 0 370.497 0.980 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[NH+]2CCN1CCC2 ZINC000430105756 489720371 /nfs/dbraw/zinc/72/03/71/489720371.db2.gz PXQAGSULXJEUHV-VQTJNVASSA-N 2 0 372.513 0.784 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000469705147 489720937 /nfs/dbraw/zinc/72/09/37/489720937.db2.gz RXJFELHTCPWNNG-OKILXGFUSA-N 2 0 350.467 0.372 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(F)F ZINC000418746654 489721299 /nfs/dbraw/zinc/72/12/99/489721299.db2.gz XWXJTBMTZSIIHK-ZNMIVQPWSA-N 2 0 356.417 0.904 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000563874062 491274009 /nfs/dbraw/zinc/27/40/09/491274009.db2.gz GEAOTZJQSGMMEY-UHFFFAOYSA-N 2 0 353.492 0.911 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418750712 489721985 /nfs/dbraw/zinc/72/19/85/489721985.db2.gz PDWKQZWORGUXFB-INIZCTEOSA-N 2 0 353.511 0.714 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000459251719 489723775 /nfs/dbraw/zinc/72/37/75/489723775.db2.gz GIOKXBLECOMSQQ-QGZVFWFLSA-N 2 0 365.522 0.668 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000459251718 489724322 /nfs/dbraw/zinc/72/43/22/489724322.db2.gz GIOKXBLECOMSQQ-KRWDZBQOSA-N 2 0 365.522 0.668 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000418773073 489724626 /nfs/dbraw/zinc/72/46/26/489724626.db2.gz XIVLHEGIVDCPBW-KRWDZBQOSA-N 2 0 351.470 0.803 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774523 489725887 /nfs/dbraw/zinc/72/58/87/489725887.db2.gz YWRMCMPOHMNNGB-RTBURBONSA-N 2 0 374.533 0.981 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)CC1 ZINC000489748574 489726611 /nfs/dbraw/zinc/72/66/11/489726611.db2.gz ZZCRSTUWIOSBLE-QGZVFWFLSA-N 2 0 354.564 0.910 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418794668 489728233 /nfs/dbraw/zinc/72/82/33/489728233.db2.gz RKXUVMUFCNHHGI-MJGOQNOKSA-N 2 0 362.474 0.301 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000418797531 489729292 /nfs/dbraw/zinc/72/92/92/489729292.db2.gz GBGIFWYMVAJEBD-CQSZACIVSA-N 2 0 370.856 0.977 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418798881 489730546 /nfs/dbraw/zinc/73/05/46/489730546.db2.gz HRLONJKXHUNWAD-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000489861908 489731813 /nfs/dbraw/zinc/73/18/13/489731813.db2.gz UEQBLJSKYDQDCG-AWEZNQCLSA-N 2 0 354.476 0.866 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805971 489732118 /nfs/dbraw/zinc/73/21/18/489732118.db2.gz NYLLTEOMIOKTTH-UHFFFAOYSA-N 2 0 368.522 0.453 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418813070 489734796 /nfs/dbraw/zinc/73/47/96/489734796.db2.gz XTOXGFCGVYYMTM-MRXNPFEDSA-N 2 0 366.506 0.206 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418821365 489738137 /nfs/dbraw/zinc/73/81/37/489738137.db2.gz QHXYLHMTXDVKDA-SJORKVTESA-N 2 0 362.474 0.209 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987086 489739301 /nfs/dbraw/zinc/73/93/01/489739301.db2.gz GJXFNNNIXIVFPF-HOTGVXAUSA-N 2 0 368.547 0.484 20 0 FCADRP CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829369 489741937 /nfs/dbraw/zinc/74/19/37/489741937.db2.gz IOPSDYBYKKSRNU-HIFRSBDPSA-N 2 0 350.463 0.893 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418827347 489742478 /nfs/dbraw/zinc/74/24/78/489742478.db2.gz GSUVDZCWWCOCRX-MJBXVCDLSA-N 2 0 368.503 0.432 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCCC1 ZINC000418829941 489743672 /nfs/dbraw/zinc/74/36/72/489743672.db2.gz FFIRNCRBUFQGJA-WBVHZDCISA-N 2 0 374.485 0.769 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418831489 489744122 /nfs/dbraw/zinc/74/41/22/489744122.db2.gz GKROAMQGKJQHEI-DOTOQJQBSA-N 2 0 374.485 0.898 20 0 FCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430545171 489744935 /nfs/dbraw/zinc/74/49/35/489744935.db2.gz HLOYDROBFZFGFV-HNNXBMFYSA-N 2 0 356.492 0.968 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000418833355 489745634 /nfs/dbraw/zinc/74/56/34/489745634.db2.gz IHLVSEWEJKWSDT-DOTOQJQBSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000418834849 489746750 /nfs/dbraw/zinc/74/67/50/489746750.db2.gz YJIJOFMMOMMVHH-ARFHVFGLSA-N 2 0 350.507 0.810 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000418837938 489747719 /nfs/dbraw/zinc/74/77/19/489747719.db2.gz UIURFHQHUWWNKB-FUHWJXTLSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418837896 489747975 /nfs/dbraw/zinc/74/79/75/489747975.db2.gz BKXWGJGBGXSHDW-KGLIPLIRSA-N 2 0 350.488 0.951 20 0 FCADRP C[NH2+]C[C@H]1CCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000430576435 489748150 /nfs/dbraw/zinc/74/81/50/489748150.db2.gz XGTLDDUXJWLHHJ-QGZVFWFLSA-N 2 0 352.523 0.822 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000418839129 489748923 /nfs/dbraw/zinc/74/89/23/489748923.db2.gz DBRSFPIFLMMQBE-SJORKVTESA-N 2 0 360.458 0.126 20 0 FCADRP C[NH+](C)CCCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000555850425 491276430 /nfs/dbraw/zinc/27/64/30/491276430.db2.gz PYYPMZFZNVNHIL-MRXNPFEDSA-N 2 0 364.471 0.915 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000418839642 489749910 /nfs/dbraw/zinc/74/99/10/489749910.db2.gz DGXFGKGZAZNECT-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430602205 489751203 /nfs/dbraw/zinc/75/12/03/489751203.db2.gz GMQRCSFHVQMNRB-KBPBESRZSA-N 2 0 352.504 0.582 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418840890 489751373 /nfs/dbraw/zinc/75/13/73/489751373.db2.gz YJFDZUQLUVBFOG-JSGCOSHPSA-N 2 0 366.462 0.134 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000418842261 489752713 /nfs/dbraw/zinc/75/27/13/489752713.db2.gz BEKSDSUJVMGPBT-FUHWJXTLSA-N 2 0 374.485 0.769 20 0 FCADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613244 489753974 /nfs/dbraw/zinc/75/39/74/489753974.db2.gz UUJGIILNMIMCFB-VYDXJSESSA-N 2 0 374.485 0.802 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000418847502 489754648 /nfs/dbraw/zinc/75/46/48/489754648.db2.gz JIGMNVRWOOVKLO-ROUUACIJSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430622864 489756570 /nfs/dbraw/zinc/75/65/70/489756570.db2.gz MIOOEVXQHZXEMA-CYBMUJFWSA-N 2 0 354.476 0.594 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000418852531 489757548 /nfs/dbraw/zinc/75/75/48/489757548.db2.gz QYOCFZSEXRIVPN-DOTOQJQBSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855303 489759133 /nfs/dbraw/zinc/75/91/33/489759133.db2.gz USNXPUQCESKOGJ-GOEBONIOSA-N 2 0 362.474 0.754 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418855853 489759170 /nfs/dbraw/zinc/75/91/70/489759170.db2.gz VSTMPFJOUZAVIN-ROUUACIJSA-N 2 0 360.502 0.734 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474416286 489761120 /nfs/dbraw/zinc/76/11/20/489761120.db2.gz WANDZHQRYLKKJH-UYSNPLJNSA-N 2 0 351.495 0.642 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000418860227 489761609 /nfs/dbraw/zinc/76/16/09/489761609.db2.gz LTILQQZVQOFQGK-FGTMMUONSA-N 2 0 374.485 0.342 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418858504 489761645 /nfs/dbraw/zinc/76/16/45/489761645.db2.gz JQVWRZSJIIDZLN-ZIAGYGMSSA-N 2 0 350.488 0.855 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418860673 489762301 /nfs/dbraw/zinc/76/23/01/489762301.db2.gz MALUNBIVTNGMCT-XLIONFOSSA-N 2 0 356.470 0.589 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000418861135 489762366 /nfs/dbraw/zinc/76/23/66/489762366.db2.gz MQCNDCDBPRKVLN-KBPBESRZSA-N 2 0 366.487 0.187 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418863224 489763650 /nfs/dbraw/zinc/76/36/50/489763650.db2.gz PCJMFUXRKIFFFR-MKXGPGLRSA-N 2 0 370.497 0.881 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)C1(n2cccn2)CC[NH2+]CC1 ZINC000376637828 489764755 /nfs/dbraw/zinc/76/47/55/489764755.db2.gz ULMDPJBUFJPRLP-UHFFFAOYSA-N 2 0 355.446 0.405 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000418864356 489765103 /nfs/dbraw/zinc/76/51/03/489765103.db2.gz JBALRRLNZAWXHP-GTPINHCMSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000430711215 489765569 /nfs/dbraw/zinc/76/55/69/489765569.db2.gz DNLCGGZJTNYRJP-XIRDDKMYSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418867949 489765788 /nfs/dbraw/zinc/76/57/88/489765788.db2.gz VHWJTGKJOCLCOA-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[NH+](C)C)c1 ZINC000418867214 489766227 /nfs/dbraw/zinc/76/62/27/489766227.db2.gz UQLTYMZHKOEIGI-VBQJREDUSA-N 2 0 362.474 0.623 20 0 FCADRP COCC[C@@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000430714838 489766885 /nfs/dbraw/zinc/76/68/85/489766885.db2.gz PWAHVBRDVDNXBC-SFHVURJKSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870619 489768119 /nfs/dbraw/zinc/76/81/19/489768119.db2.gz YKRKWHVODRSYTJ-XIRDDKMYSA-N 2 0 374.485 0.606 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418875549 489769729 /nfs/dbraw/zinc/76/97/29/489769729.db2.gz KPWNOQOPMVUZIL-AEFFLSMTSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418877449 489771542 /nfs/dbraw/zinc/77/15/42/489771542.db2.gz IYEKTAUQENFMGN-OWCLPIDISA-N 2 0 354.495 0.332 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]2CCCC2)c1 ZINC000418880220 489772094 /nfs/dbraw/zinc/77/20/94/489772094.db2.gz UZFYJZIIPNULTA-QGZVFWFLSA-N 2 0 362.474 0.803 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883637 489774478 /nfs/dbraw/zinc/77/44/78/489774478.db2.gz VLBFRVVBSRLBLJ-RDJZCZTQSA-N 2 0 368.522 0.627 20 0 FCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430933025 489778630 /nfs/dbraw/zinc/77/86/30/489778630.db2.gz IMXFJFFHQVWKPT-GFCCVEGCSA-N 2 0 354.476 0.592 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894343 489779109 /nfs/dbraw/zinc/77/91/09/489779109.db2.gz BAORBWOZXQDCPU-GJZGRUSLSA-N 2 0 368.522 0.986 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894670 489783707 /nfs/dbraw/zinc/78/37/07/489783707.db2.gz IRJXHCQFHHXCQF-RBUKOAKNSA-N 2 0 372.513 0.987 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000431004139 489783991 /nfs/dbraw/zinc/78/39/91/489783991.db2.gz IDPXGAFBHYJEBO-MSOLQXFVSA-N 2 0 368.522 0.008 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000431004141 489784612 /nfs/dbraw/zinc/78/46/12/489784612.db2.gz IDPXGAFBHYJEBO-ROUUACIJSA-N 2 0 368.522 0.008 20 0 FCADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000431018139 489785223 /nfs/dbraw/zinc/78/52/23/489785223.db2.gz UTBYMDXSESIHLZ-UHFFFAOYSA-N 2 0 360.458 0.640 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431037566 489786981 /nfs/dbraw/zinc/78/69/81/489786981.db2.gz OMRNLWQMALDSKJ-MRXNPFEDSA-N 2 0 358.490 0.589 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916672 489790236 /nfs/dbraw/zinc/79/02/36/489790236.db2.gz XGRCXOACJTXUQR-WFASDCNBSA-N 2 0 370.856 0.924 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000459917818 489792241 /nfs/dbraw/zinc/79/22/41/489792241.db2.gz JSCFIHFAMBUNIQ-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000459917929 489792336 /nfs/dbraw/zinc/79/23/36/489792336.db2.gz KHXDBWSTICVVTE-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000418922015 489792335 /nfs/dbraw/zinc/79/23/35/489792335.db2.gz DDEUYHOSTGEDAA-XHSDSOJGSA-N 2 0 366.506 0.060 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418930478 489793740 /nfs/dbraw/zinc/79/37/40/489793740.db2.gz XXEZHWNSFGURBH-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000418928702 489794194 /nfs/dbraw/zinc/79/41/94/489794194.db2.gz VICNXHDWNJFFAA-VVLHAWIVSA-N 2 0 366.506 0.045 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000418933348 489795372 /nfs/dbraw/zinc/79/53/72/489795372.db2.gz ZTNRSLHKACNFRX-CVEARBPZSA-N 2 0 356.511 0.291 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1ccco1 ZINC000418942695 489798858 /nfs/dbraw/zinc/79/88/58/489798858.db2.gz LPMIITSCDDRFSL-HNNXBMFYSA-N 2 0 350.463 0.989 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298274 489799875 /nfs/dbraw/zinc/79/98/75/489799875.db2.gz TVYYDTYQQSAQBA-NVXWUHKLSA-N 2 0 365.522 0.761 20 0 FCADRP C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1=CC[N@H+](C)CC1 ZINC000431463180 489806104 /nfs/dbraw/zinc/80/61/04/489806104.db2.gz GJRYAEWZIIZCAX-INIZCTEOSA-N 2 0 365.522 0.928 20 0 FCADRP Nc1nc(-n2cccn2)cc(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]1 ZINC000431487411 489807615 /nfs/dbraw/zinc/80/76/15/489807615.db2.gz XFVRWLVJFQZVQK-UHFFFAOYSA-N 2 0 358.450 0.649 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459997187 489812945 /nfs/dbraw/zinc/81/29/45/489812945.db2.gz SIZNQBWBISPAKX-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000419008210 489816135 /nfs/dbraw/zinc/81/61/35/489816135.db2.gz VFMGZXYTBMMRFZ-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419023064 489821722 /nfs/dbraw/zinc/82/17/22/489821722.db2.gz IZFHBDGRLQBCBZ-ZVDSWSACSA-N 2 0 368.522 0.698 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023859 489822243 /nfs/dbraw/zinc/82/22/43/489822243.db2.gz KASPDQOFQNPGTE-JKSUJKDBSA-N 2 0 368.522 0.579 20 0 FCADRP CC[N@H+](CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1CC1 ZINC000431920040 489823097 /nfs/dbraw/zinc/82/30/97/489823097.db2.gz SABHMHRNVBVNMM-UHFFFAOYSA-N 2 0 353.511 0.762 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419029140 489824210 /nfs/dbraw/zinc/82/42/10/489824210.db2.gz FPSHNEYHQTWVPR-UHFFFAOYSA-N 2 0 370.563 0.922 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033681 489826726 /nfs/dbraw/zinc/82/67/26/489826726.db2.gz YPKFTTHTHCADDD-OAGGEKHMSA-N 2 0 352.523 0.975 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@H](C)C1 ZINC000419035983 489828636 /nfs/dbraw/zinc/82/86/36/489828636.db2.gz FWIDTGMRYJQPTB-QZWWFDLISA-N 2 0 368.522 0.435 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419044396 489832232 /nfs/dbraw/zinc/83/22/32/489832232.db2.gz PUDXAMMEHAQQEN-NVXWUHKLSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419046337 489833252 /nfs/dbraw/zinc/83/32/52/489833252.db2.gz PRDZBCMMBVANLY-PVAVHDDUSA-N 2 0 360.458 0.043 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419062376 489840112 /nfs/dbraw/zinc/84/01/12/489840112.db2.gz ANIXZWPVBDHXMR-MRXNPFEDSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419064870 489840669 /nfs/dbraw/zinc/84/06/69/489840669.db2.gz CQHFVEPVKDBVSL-SFHVURJKSA-N 2 0 358.486 0.868 20 0 FCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000419065491 489841923 /nfs/dbraw/zinc/84/19/23/489841923.db2.gz ADNLKHJANXOIBE-MSOLQXFVSA-N 2 0 374.485 0.467 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069167 489843492 /nfs/dbraw/zinc/84/34/92/489843492.db2.gz GBXUQUYREMOEPQ-NVXWUHKLSA-N 2 0 362.474 0.754 20 0 FCADRP CCC[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)S(N)(=O)=O ZINC000667812307 493302900 /nfs/dbraw/zinc/30/29/00/493302900.db2.gz JFJWZLMGCQEAGE-LSDHHAIUSA-N 2 0 362.540 0.318 20 0 FCADRP CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000460076086 489844032 /nfs/dbraw/zinc/84/40/32/489844032.db2.gz CTJBUBIRHZILLB-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000460084189 489847135 /nfs/dbraw/zinc/84/71/35/489847135.db2.gz UENKCJOGAZCAFA-IAGOWNOFSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000419084888 489850694 /nfs/dbraw/zinc/85/06/94/489850694.db2.gz UZIXQYYAQPVGNI-KRWDZBQOSA-N 2 0 362.474 0.626 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000419100878 489855539 /nfs/dbraw/zinc/85/55/39/489855539.db2.gz CHTXRMDTRINCLT-QRTARXTBSA-N 2 0 362.449 0.699 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000460234328 489856759 /nfs/dbraw/zinc/85/67/59/489856759.db2.gz WZQYDTVHAUYMGH-HKUYNNGSSA-N 2 0 362.474 0.119 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000460233997 489856897 /nfs/dbraw/zinc/85/68/97/489856897.db2.gz DVCVTJHLIIJUJZ-SJLPKXTDSA-N 2 0 356.511 0.489 20 0 FCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000419114840 489861588 /nfs/dbraw/zinc/86/15/88/489861588.db2.gz XRUZBGZPLMTZCC-UHFFFAOYSA-N 2 0 374.485 0.252 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000433130427 489868132 /nfs/dbraw/zinc/86/81/32/489868132.db2.gz RTKOQXUMSBIJNH-UHFFFAOYSA-N 2 0 358.442 0.602 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000419125554 489868853 /nfs/dbraw/zinc/86/88/53/489868853.db2.gz KAUKLOLDEQWLLK-ZACQAIPSSA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCCC1 ZINC000419125584 489868895 /nfs/dbraw/zinc/86/88/95/489868895.db2.gz KFDFURYSVYCNBP-BBWFWOEESA-N 2 0 350.507 0.681 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000419987392 489874121 /nfs/dbraw/zinc/87/41/21/489874121.db2.gz YJWXXJGKKCBUEP-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420001104 489877603 /nfs/dbraw/zinc/87/76/03/489877603.db2.gz QWLIPCVKUGGDCJ-MRXNPFEDSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000420018842 489882058 /nfs/dbraw/zinc/88/20/58/489882058.db2.gz QFXXICKARPIESX-WBVHZDCISA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420014 489882123 /nfs/dbraw/zinc/88/21/23/489882123.db2.gz ILQLPKDNXZBLAU-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420022939 489883036 /nfs/dbraw/zinc/88/30/36/489883036.db2.gz AGFWBYJSAQUYAS-INIZCTEOSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000420028270 489885940 /nfs/dbraw/zinc/88/59/40/489885940.db2.gz DDGBHMFAUAMACP-BHYGNILZSA-N 2 0 374.485 0.731 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000420028279 489885988 /nfs/dbraw/zinc/88/59/88/489885988.db2.gz DDGBHMFAUAMACP-XIRDDKMYSA-N 2 0 374.485 0.731 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420043633 489891533 /nfs/dbraw/zinc/89/15/33/489891533.db2.gz SBKYOTANZRKLAD-LSDHHAIUSA-N 2 0 354.495 0.550 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000420050431 489894082 /nfs/dbraw/zinc/89/40/82/489894082.db2.gz HEKKSMYWOXKHRX-RDJZCZTQSA-N 2 0 366.506 0.191 20 0 FCADRP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420060789 489897519 /nfs/dbraw/zinc/89/75/19/489897519.db2.gz KUJYZFSTJCSRKU-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069811 489902292 /nfs/dbraw/zinc/90/22/92/489902292.db2.gz WBBBYJGVCMBMPF-KSZLIROESA-N 2 0 356.470 0.430 20 0 FCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000377441570 489904336 /nfs/dbraw/zinc/90/43/36/489904336.db2.gz IAEHJIHACHGFMR-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420080877 489905311 /nfs/dbraw/zinc/90/53/11/489905311.db2.gz HIJMBPQFEIJKJZ-QGZVFWFLSA-N 2 0 368.522 0.579 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420084720 489906534 /nfs/dbraw/zinc/90/65/34/489906534.db2.gz WMRSPHPCXYWYAI-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000461381443 489907368 /nfs/dbraw/zinc/90/73/68/489907368.db2.gz NLCFJMNIPIUKPG-PMACEKPBSA-N 2 0 364.486 0.853 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420089156 489908626 /nfs/dbraw/zinc/90/86/26/489908626.db2.gz JFYDXJDQZOYUQJ-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420092229 489909754 /nfs/dbraw/zinc/90/97/54/489909754.db2.gz HMJYXOUPGNUXGQ-CQSZACIVSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420112615 489916724 /nfs/dbraw/zinc/91/67/24/489916724.db2.gz XQBQFRXIXQZWOF-DAYGRLMNSA-N 2 0 354.495 0.108 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000420120716 489918955 /nfs/dbraw/zinc/91/89/55/489918955.db2.gz KBWSXDYCAWJOGA-JCCCHCCOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000377575215 489924137 /nfs/dbraw/zinc/92/41/37/489924137.db2.gz MAJKZEXMBGGPFE-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000477029923 489933527 /nfs/dbraw/zinc/93/35/27/489933527.db2.gz CSPABXSDCDFITK-HNNXBMFYSA-N 2 0 370.538 0.839 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)CC2)N1 ZINC000564117762 491289472 /nfs/dbraw/zinc/28/94/72/491289472.db2.gz MNMMDVWBKDDPHD-GNZRSQJKSA-N 2 0 372.469 0.864 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)c1 ZINC000420170180 489939230 /nfs/dbraw/zinc/93/92/30/489939230.db2.gz WZELYPVONIRLFI-UHFFFAOYSA-N 2 0 373.457 0.165 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186416 489945346 /nfs/dbraw/zinc/94/53/46/489945346.db2.gz CLGXPVAPIOZYBA-AKHDSKFASA-N 2 0 370.497 0.820 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000420189723 489946747 /nfs/dbraw/zinc/94/67/47/489946747.db2.gz GNCZHSSJLMFNBZ-YZUHTNEWSA-N 2 0 350.507 0.953 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420204702 489951119 /nfs/dbraw/zinc/95/11/19/489951119.db2.gz SQSHATSANHGHPE-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP COCCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420208224 489952912 /nfs/dbraw/zinc/95/29/12/489952912.db2.gz RZDWNBQRRHNWFW-UHFFFAOYSA-N 2 0 362.474 0.201 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420215128 489954411 /nfs/dbraw/zinc/95/44/11/489954411.db2.gz RWHACKOJGMQHKV-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2CC[C@](C)(C[NH3+])C2)cc(C(=O)OC)c1 ZINC000420318116 489962341 /nfs/dbraw/zinc/96/23/41/489962341.db2.gz PKVJMQDENUTDKR-GOSISDBHSA-N 2 0 363.414 0.869 20 0 FCADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000420319366 489962353 /nfs/dbraw/zinc/96/23/53/489962353.db2.gz PJGZNNGLYSJYPF-HOCLYGCPSA-N 2 0 355.504 0.999 20 0 FCADRP Cc1cccc2nc(CN3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000420320204 489962607 /nfs/dbraw/zinc/96/26/07/489962607.db2.gz YNRPMUZLRSRPQV-INIZCTEOSA-N 2 0 357.458 0.822 20 0 FCADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000420319368 489962877 /nfs/dbraw/zinc/96/28/77/489962877.db2.gz PJGZNNGLYSJYPF-ZBFHGGJFSA-N 2 0 355.504 0.999 20 0 FCADRP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324987 489963718 /nfs/dbraw/zinc/96/37/18/489963718.db2.gz HTJRGYGJPSGYBR-YQVWRLOYSA-N 2 0 358.486 0.911 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867509 489964152 /nfs/dbraw/zinc/96/41/52/489964152.db2.gz FDILKAKBEJKWEW-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420343049 489964542 /nfs/dbraw/zinc/96/45/42/489964542.db2.gz YJBGJWNBKIBSHX-SFHVURJKSA-N 2 0 374.485 0.631 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000420348065 489965744 /nfs/dbraw/zinc/96/57/44/489965744.db2.gz JJDPNKGGWQSXJG-OALUTQOASA-N 2 0 360.502 0.294 20 0 FCADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000420369668 489968413 /nfs/dbraw/zinc/96/84/13/489968413.db2.gz XYSNRHVACHKDNL-INIZCTEOSA-N 2 0 355.504 0.999 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000420392350 489971970 /nfs/dbraw/zinc/97/19/70/489971970.db2.gz PJSDUKOERWEDNN-CGTJXYLNSA-N 2 0 352.523 0.757 20 0 FCADRP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420406306 489972743 /nfs/dbraw/zinc/97/27/43/489972743.db2.gz NMSUCMFCZCPYFY-STQMWFEESA-N 2 0 354.476 0.579 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477615629 489977468 /nfs/dbraw/zinc/97/74/68/489977468.db2.gz MGSYMNGTUXZSSM-NVXWUHKLSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619962 489978254 /nfs/dbraw/zinc/97/82/54/489978254.db2.gz ZYXLPKLUDHOCLV-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP CC(=O)N1c2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2C[C@@H]1C ZINC000420446403 489978483 /nfs/dbraw/zinc/97/84/83/489978483.db2.gz BMIBMCWZNWLCEY-ZDUSSCGKSA-N 2 0 368.503 0.672 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1OC ZINC000420457455 489980693 /nfs/dbraw/zinc/98/06/93/489980693.db2.gz OGCXKBKIXQJEJU-UHFFFAOYSA-N 2 0 359.448 0.170 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000571149413 491288226 /nfs/dbraw/zinc/28/82/26/491288226.db2.gz DFSZAQOWBBYROY-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477874187 489994818 /nfs/dbraw/zinc/99/48/18/489994818.db2.gz FSLGVJKOZZPRIO-QZWWFDLISA-N 2 0 356.511 0.582 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478017792 490000660 /nfs/dbraw/zinc/00/06/60/490000660.db2.gz OKKJKCMDLNYBKW-QZTJIDSGSA-N 2 0 352.523 0.364 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000463080921 490001276 /nfs/dbraw/zinc/00/12/76/490001276.db2.gz AOSHDSPSMNSBLZ-LJQANCHMSA-N 2 0 354.539 0.436 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000478067476 490003968 /nfs/dbraw/zinc/00/39/68/490003968.db2.gz ZIZPWHZGXPCQBA-OALUTQOASA-N 2 0 358.486 0.394 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)C1 ZINC000478794105 490037749 /nfs/dbraw/zinc/03/77/49/490037749.db2.gz HGYZPKYFMUDJLO-CVEARBPZSA-N 2 0 355.527 0.109 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cnn(-c2ccccn2)c1N ZINC000556127887 491296713 /nfs/dbraw/zinc/29/67/13/491296713.db2.gz XXIZZFHBTLAYRB-UHFFFAOYSA-N 2 0 371.489 0.948 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202477 490074435 /nfs/dbraw/zinc/07/44/35/490074435.db2.gz QMJSEAFCDAZVRE-ZBFHGGJFSA-N 2 0 350.438 0.572 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000506372984 490082739 /nfs/dbraw/zinc/08/27/39/490082739.db2.gz RPDCXFIRBRCTNW-XYJFISCASA-N 2 0 356.511 0.366 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000421726794 490101866 /nfs/dbraw/zinc/10/18/66/490101866.db2.gz RYMCWCLGZSDDLA-MQBCKMQZSA-N 2 0 356.536 0.529 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148214 490104787 /nfs/dbraw/zinc/10/47/87/490104787.db2.gz OFOIDWBNBNMNDE-SJORKVTESA-N 2 0 351.470 0.973 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148212 490105165 /nfs/dbraw/zinc/10/51/65/490105165.db2.gz OFOIDWBNBNMNDE-IAGOWNOFSA-N 2 0 351.470 0.973 20 0 FCADRP COC(=O)c1sccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532775503 490114484 /nfs/dbraw/zinc/11/44/84/490114484.db2.gz ZECCISVRHRXUQU-UHFFFAOYSA-N 2 0 363.505 0.649 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000520216893 490117041 /nfs/dbraw/zinc/11/70/41/490117041.db2.gz TULHLNIUYZLRTA-ROUUACIJSA-N 2 0 358.486 0.569 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1=O ZINC000422012808 490126112 /nfs/dbraw/zinc/12/61/12/490126112.db2.gz CJCMUQZBIPCLSQ-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000422023511 490127586 /nfs/dbraw/zinc/12/75/86/490127586.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 2 0 363.550 0.395 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000465852909 490146795 /nfs/dbraw/zinc/14/67/95/490146795.db2.gz XTRXHPDICZKTMQ-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000465863635 490149189 /nfs/dbraw/zinc/14/91/89/490149189.db2.gz HAPWUGVFEMKQHH-GOEBONIOSA-N 2 0 353.511 0.711 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556203932 491302753 /nfs/dbraw/zinc/30/27/53/491302753.db2.gz FFOSGDSHNRRMAD-QGZVFWFLSA-N 2 0 356.536 0.529 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556205408 491302817 /nfs/dbraw/zinc/30/28/17/491302817.db2.gz OWICLGHWSSVPHA-RHSMWYFYSA-N 2 0 356.536 0.388 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351972 491303016 /nfs/dbraw/zinc/30/30/16/491303016.db2.gz RFLSPTHSVDTUPF-QZTJIDSGSA-N 2 0 371.485 0.604 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556206745 491303058 /nfs/dbraw/zinc/30/30/58/491303058.db2.gz QJWIPJHQHHBWGF-GOSISDBHSA-N 2 0 370.563 0.778 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000466033513 490159860 /nfs/dbraw/zinc/15/98/60/490159860.db2.gz LDWJCNNWGCVCLO-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000533073959 490167598 /nfs/dbraw/zinc/16/75/98/490167598.db2.gz YRJGVPFDUFCDII-UHFFFAOYSA-N 2 0 363.462 0.334 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000466233894 490171621 /nfs/dbraw/zinc/17/16/21/490171621.db2.gz FUNWMGFUOFRJHC-OIISXLGYSA-N 2 0 365.522 0.711 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466294431 490175547 /nfs/dbraw/zinc/17/55/47/490175547.db2.gz YYPBOHNAOXPUII-DLBZAZTESA-N 2 0 365.522 0.890 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000571414266 491306404 /nfs/dbraw/zinc/30/64/04/491306404.db2.gz KEVBTTDFFNOBHN-QGZVFWFLSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000571418782 491306415 /nfs/dbraw/zinc/30/64/15/491306415.db2.gz NNJZABZOMPKREG-MOPGFXCFSA-N 2 0 359.518 0.848 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227668 490205009 /nfs/dbraw/zinc/20/50/09/490205009.db2.gz GTVSIXLAKWRBJJ-OAHLLOKOSA-N 2 0 353.511 0.700 20 0 FCADRP Cc1c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000564448291 491307300 /nfs/dbraw/zinc/30/73/00/491307300.db2.gz LLGWIGBIMMBCBM-INIZCTEOSA-N 2 0 364.494 0.334 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000571430060 491307422 /nfs/dbraw/zinc/30/74/22/491307422.db2.gz ZJNCXSOQXDORNO-HOTGVXAUSA-N 2 0 368.522 0.593 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000521038715 490216629 /nfs/dbraw/zinc/21/66/29/490216629.db2.gz HSGYGOMPHGHVBL-IXDOHACOSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507421196 490220231 /nfs/dbraw/zinc/22/02/31/490220231.db2.gz DHPMBGMLXIGOGJ-CYBMUJFWSA-N 2 0 369.510 0.389 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291852 490235372 /nfs/dbraw/zinc/23/53/72/490235372.db2.gz FMSHYZYQEVOHCW-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000521323717 490249606 /nfs/dbraw/zinc/24/96/06/490249606.db2.gz ITTUZAQRHYOKDP-KRWDZBQOSA-N 2 0 356.536 0.714 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000557382226 491371334 /nfs/dbraw/zinc/37/13/34/491371334.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 2 0 369.554 0.317 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363871 491312421 /nfs/dbraw/zinc/31/24/21/491312421.db2.gz PFEXHRSEBZDBNB-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCCC1 ZINC000556372807 491313059 /nfs/dbraw/zinc/31/30/59/491313059.db2.gz YRIAYAQYLNYOEC-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498195081 490269818 /nfs/dbraw/zinc/26/98/18/490269818.db2.gz IEQKVTWVHAKPPA-ZDUSSCGKSA-N 2 0 356.421 0.478 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564573805 491314719 /nfs/dbraw/zinc/31/47/19/491314719.db2.gz JXTIKPNXOZGGBN-HNNXBMFYSA-N 2 0 355.527 0.957 20 0 FCADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000422399757 490298593 /nfs/dbraw/zinc/29/85/93/490298593.db2.gz AKZIHHRIVDONHK-OAHLLOKOSA-N 2 0 350.438 0.714 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000447979828 490306430 /nfs/dbraw/zinc/30/64/30/490306430.db2.gz BKSOOORWDCORTP-HOTGVXAUSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000498570163 490312846 /nfs/dbraw/zinc/31/28/46/490312846.db2.gz DOIAAMFKNFNHFH-GOSISDBHSA-N 2 0 360.502 0.987 20 0 FCADRP CCOCCCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000508279330 490313934 /nfs/dbraw/zinc/31/39/34/490313934.db2.gz KEHKULBHELVDPA-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000483423208 490316599 /nfs/dbraw/zinc/31/65/99/490316599.db2.gz XXXAAOWJVMESBP-HZPDHXFCSA-N 2 0 367.538 0.118 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498619654 490318808 /nfs/dbraw/zinc/31/88/08/490318808.db2.gz URAGNQIEAUUVKS-IAGOWNOFSA-N 2 0 370.538 0.972 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498619655 490319219 /nfs/dbraw/zinc/31/92/19/490319219.db2.gz URAGNQIEAUUVKS-IRXDYDNUSA-N 2 0 370.538 0.972 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000508459984 490331961 /nfs/dbraw/zinc/33/19/61/490331961.db2.gz WVMDTQBQZHCHTO-OAHLLOKOSA-N 2 0 353.511 0.605 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)CC[C@@H]2C)CC1=O ZINC000498725945 490332445 /nfs/dbraw/zinc/33/24/45/490332445.db2.gz KTZRZPPJPYXVJH-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000564652320 491318195 /nfs/dbraw/zinc/31/81/95/491318195.db2.gz XTNWJFZQSSEADX-LRYGQEGESA-N 2 0 355.523 0.944 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522118224 490342949 /nfs/dbraw/zinc/34/29/49/490342949.db2.gz XMSCBDNKAYMAKG-MRXNPFEDSA-N 2 0 371.485 0.721 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000422485670 490351667 /nfs/dbraw/zinc/35/16/67/490351667.db2.gz FJABGSRVZFQFHZ-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000422487645 490352888 /nfs/dbraw/zinc/35/28/88/490352888.db2.gz INEUKYIALHHEFX-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000564686853 491320466 /nfs/dbraw/zinc/32/04/66/491320466.db2.gz JOHMPBQKRYIFHL-OAGGEKHMSA-N 2 0 366.506 0.369 20 0 FCADRP C[C@@H]1CC(=O)C[C@H](C(=O)NCCC[NH+](C)C)[C@@H]1C(=O)NCCC[NH+](C)C ZINC000448544084 490362144 /nfs/dbraw/zinc/36/21/44/490362144.db2.gz VUCOJNMBKHDHTN-HYVNUMGLSA-N 2 0 368.522 0.354 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000522309426 490371000 /nfs/dbraw/zinc/37/10/00/490371000.db2.gz NCUGTBZCLNSMNQ-ZBFHGGJFSA-N 2 0 351.495 0.465 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410993830 490377561 /nfs/dbraw/zinc/37/75/61/490377561.db2.gz ZEZSLOLMPTXESF-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000484077214 490379144 /nfs/dbraw/zinc/37/91/44/490379144.db2.gz XZYOSDKLLTYUBJ-QGZVFWFLSA-N 2 0 372.517 0.885 20 0 FCADRP C[C@@H]1CC(=O)C[C@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000468344989 490391699 /nfs/dbraw/zinc/39/16/99/490391699.db2.gz ZJEQVLDGWFTNAK-HYVNUMGLSA-N 2 0 368.522 0.258 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000564725329 491322709 /nfs/dbraw/zinc/32/27/09/491322709.db2.gz AHQUGGGYWSRSKS-GOSISDBHSA-N 2 0 374.485 0.128 20 0 FCADRP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000571684335 491323030 /nfs/dbraw/zinc/32/30/30/491323030.db2.gz HREGYJZJUKTXBL-GOEBONIOSA-N 2 0 354.495 0.155 20 0 FCADRP Cc1nnc2n1C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)CC2 ZINC000534718132 490401318 /nfs/dbraw/zinc/40/13/18/490401318.db2.gz QWSQJHJCOWVZNC-HNNXBMFYSA-N 2 0 363.510 0.474 20 0 FCADRP CN1CCO[C@@H](C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000468484206 490409033 /nfs/dbraw/zinc/40/90/33/490409033.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 0 360.502 0.812 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000556642922 491325052 /nfs/dbraw/zinc/32/50/52/491325052.db2.gz ZAHZVISXZOSDHM-OAHLLOKOSA-N 2 0 354.495 0.202 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706651 490425543 /nfs/dbraw/zinc/42/55/43/490425543.db2.gz OAGCWESUNYXMEX-XHSDSOJGSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000422610523 490427708 /nfs/dbraw/zinc/42/77/08/490427708.db2.gz PXIIHQTURLWCMM-GPANFISMSA-N 2 0 353.511 0.888 20 0 FCADRP CC1[C@@H](C(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000449856342 490431806 /nfs/dbraw/zinc/43/18/06/490431806.db2.gz MWYKHQLWGGBHBY-JOCBIADPSA-N 2 0 364.534 0.974 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000509705719 490453947 /nfs/dbraw/zinc/45/39/47/490453947.db2.gz HTRVIBOKSQACOR-QGZVFWFLSA-N 2 0 368.522 0.261 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000509723493 490455254 /nfs/dbraw/zinc/45/52/54/490455254.db2.gz YBHRMUDNZLLSCE-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000509721000 490456860 /nfs/dbraw/zinc/45/68/60/490456860.db2.gz LWWNFBGBFMEOIY-HNNXBMFYSA-N 2 0 356.511 0.260 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000484705168 490457097 /nfs/dbraw/zinc/45/70/97/490457097.db2.gz SMZOBQHBHLWJAV-HOTGVXAUSA-N 2 0 353.511 0.522 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703485 490457350 /nfs/dbraw/zinc/45/73/50/490457350.db2.gz FMXSQEBYXSJOPE-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000484718456 490459431 /nfs/dbraw/zinc/45/94/31/490459431.db2.gz YPSBMUYJZFFCAZ-OAHLLOKOSA-N 2 0 353.511 0.522 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909474 490476703 /nfs/dbraw/zinc/47/67/03/490476703.db2.gz SPRCSQBPUANTDF-DZGCQCFKSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944254 490480164 /nfs/dbraw/zinc/48/01/64/490480164.db2.gz HCIZRWAKDYWSQH-IAGOWNOFSA-N 2 0 352.523 0.807 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000571794629 491329620 /nfs/dbraw/zinc/32/96/20/491329620.db2.gz QNHCSOAUUJYSRC-UHFFFAOYSA-N 2 0 371.489 0.569 20 0 FCADRP C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(=O)NCC[NH+]1CCCCC1 ZINC000571879174 491334696 /nfs/dbraw/zinc/33/46/96/491334696.db2.gz IGJPPVYRVNLKKC-KGLIPLIRSA-N 2 0 362.478 0.207 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985301 490511661 /nfs/dbraw/zinc/51/16/61/490511661.db2.gz DANHINDXLJBWQU-ULQDDVLXSA-N 2 0 360.506 0.999 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000500432065 490514501 /nfs/dbraw/zinc/51/45/01/490514501.db2.gz MSHHIOOFCUONFW-KRWDZBQOSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000500429397 490515105 /nfs/dbraw/zinc/51/51/05/490515105.db2.gz VVSZMXKKJQZIIM-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025388 490523030 /nfs/dbraw/zinc/52/30/30/490523030.db2.gz LRBADIKGYDSGRS-NEWSRXKRSA-N 2 0 362.518 0.632 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396508 490528021 /nfs/dbraw/zinc/52/80/21/490528021.db2.gz LYCRWIWBRLHUNO-DLBZAZTESA-N 2 0 367.538 0.912 20 0 FCADRP CCN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423058244 490531654 /nfs/dbraw/zinc/53/16/54/490531654.db2.gz JAKLCZGLEUBHDS-WMZOPIPTSA-N 2 0 358.486 0.930 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423055546 490531981 /nfs/dbraw/zinc/53/19/81/490531981.db2.gz DDYZQNAPINWTQD-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423067389 490535152 /nfs/dbraw/zinc/53/51/52/490535152.db2.gz ZHNUDNAEUWMRLX-ZWKOTPCHSA-N 2 0 360.502 0.986 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000485537469 490539597 /nfs/dbraw/zinc/53/95/97/490539597.db2.gz QKJSEGVDDPXGRV-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000571877735 491334343 /nfs/dbraw/zinc/33/43/43/491334343.db2.gz GYCFHZUIZRVMEM-HZPDHXFCSA-N 2 0 374.489 0.540 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558355 490542739 /nfs/dbraw/zinc/54/27/39/490542739.db2.gz BVMHNBRECQCMKW-MAUKXSAKSA-N 2 0 358.486 0.834 20 0 FCADRP CN1CCN(C(=O)CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000548915427 490554258 /nfs/dbraw/zinc/55/42/58/490554258.db2.gz ZGCANYVOTAEPKL-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000536227786 490562927 /nfs/dbraw/zinc/56/29/27/490562927.db2.gz QMAFSJYKPZXJQF-SFHVURJKSA-N 2 0 369.554 0.404 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(F)cc1 ZINC000571897910 491336454 /nfs/dbraw/zinc/33/64/54/491336454.db2.gz ZEPLXTWHSBEDBW-OWCLPIDISA-N 2 0 363.437 0.382 20 0 FCADRP C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)C1=CC[N@H+](C)CC1 ZINC000511233368 490572395 /nfs/dbraw/zinc/57/23/95/490572395.db2.gz XQILAICNTYWSKW-QGZVFWFLSA-N 2 0 367.538 0.326 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000571908237 491337072 /nfs/dbraw/zinc/33/70/72/491337072.db2.gz XEPJPRCCMHLLRK-MRXNPFEDSA-N 2 0 368.522 0.992 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000501112844 490579944 /nfs/dbraw/zinc/57/99/44/490579944.db2.gz RAGAZRJOVGRLMK-KRWDZBQOSA-N 2 0 360.568 0.806 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538259 490589483 /nfs/dbraw/zinc/58/94/83/490589483.db2.gz BSGVIAFYRLQGQO-PMACEKPBSA-N 2 0 371.529 0.481 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538260 490589538 /nfs/dbraw/zinc/58/95/38/490589538.db2.gz BSGVIAFYRLQGQO-UXHICEINSA-N 2 0 371.529 0.481 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550014671 490618778 /nfs/dbraw/zinc/61/87/78/490618778.db2.gz CBVCJFHBFBUDGI-IAGOWNOFSA-N 2 0 356.470 0.730 20 0 FCADRP CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000501600106 490621410 /nfs/dbraw/zinc/62/14/10/490621410.db2.gz GIZIKYRRDZLSMY-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550106496 490625116 /nfs/dbraw/zinc/62/51/16/490625116.db2.gz BZPVTGFBNYZXMI-UHFFFAOYSA-N 2 0 370.538 0.794 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635161 490628006 /nfs/dbraw/zinc/62/80/06/490628006.db2.gz FTTRTQVHPIDRSM-JKSUJKDBSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501637635 490629365 /nfs/dbraw/zinc/62/93/65/490629365.db2.gz JFGINNWDLIUSEJ-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645989 490631510 /nfs/dbraw/zinc/63/15/10/490631510.db2.gz MVKHMZJKRPNDNY-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)CC1 ZINC000501993729 490665130 /nfs/dbraw/zinc/66/51/30/490665130.db2.gz HEOBFZYLRLYNGR-LJQANCHMSA-N 2 0 366.550 0.754 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)on1 ZINC000512239810 490666373 /nfs/dbraw/zinc/66/63/73/490666373.db2.gz GDAAAMNAJHHJSH-OAHLLOKOSA-N 2 0 353.467 0.290 20 0 FCADRP O=C([C@@H]1CCC[N@H+](CCn2cnc3ccccc3c2=O)C1)N1CC[NH2+]CC1 ZINC000564988446 491344100 /nfs/dbraw/zinc/34/41/00/491344100.db2.gz NFQMZOIDNZYJAF-MRXNPFEDSA-N 2 0 369.469 0.540 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000564995458 491344807 /nfs/dbraw/zinc/34/48/07/491344807.db2.gz VJNQJQHBNXNQFE-CVEARBPZSA-N 2 0 365.499 0.354 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@H]1C ZINC000487048834 490689534 /nfs/dbraw/zinc/68/95/34/490689534.db2.gz QPHDVEYUWUURSG-BPKGMFCQSA-N 2 0 350.507 0.441 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCCC1 ZINC000512676726 490692606 /nfs/dbraw/zinc/69/26/06/490692606.db2.gz FNXMBDKYKJITOC-UHFFFAOYSA-N 2 0 369.554 0.550 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512666943 490692724 /nfs/dbraw/zinc/69/27/24/490692724.db2.gz MYBUTJKDLLPNHE-ZWKOTPCHSA-N 2 0 367.538 0.303 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000572068457 491346810 /nfs/dbraw/zinc/34/68/10/491346810.db2.gz XYSJYKXXYDKTTD-RBSFLKMASA-N 2 0 354.495 0.201 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556997137 491347440 /nfs/dbraw/zinc/34/74/40/491347440.db2.gz XRORHEZBJYSXCX-MRXNPFEDSA-N 2 0 374.485 0.596 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000527126684 490700974 /nfs/dbraw/zinc/70/09/74/490700974.db2.gz XHOLDONVHBDUJC-UHFFFAOYSA-N 2 0 351.451 0.508 20 0 FCADRP CN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C[C@@H](O)C[NH3+] ZINC000565047293 491347996 /nfs/dbraw/zinc/34/79/96/491347996.db2.gz PCNOAYGWILXRBK-HNNXBMFYSA-N 2 0 374.407 0.605 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000538536567 490737505 /nfs/dbraw/zinc/73/75/05/490737505.db2.gz ARMRKGFVRIXPKK-UHFFFAOYSA-N 2 0 364.556 0.547 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000488579134 490765670 /nfs/dbraw/zinc/76/56/70/490765670.db2.gz PPJCSHYINAZFNN-WDHIOAMHSA-N 2 0 364.534 0.737 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000514601260 490774039 /nfs/dbraw/zinc/77/40/39/490774039.db2.gz ZTUQYAXJSCLKSH-ZFWWWQNUSA-N 2 0 350.467 0.407 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000539274553 490774190 /nfs/dbraw/zinc/77/41/90/490774190.db2.gz XVMNDKWUWXQAFF-AWEZNQCLSA-N 2 0 374.489 0.831 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000539274554 490774798 /nfs/dbraw/zinc/77/47/98/490774798.db2.gz XVMNDKWUWXQAFF-CQSZACIVSA-N 2 0 374.489 0.831 20 0 FCADRP CN(CCC[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000514617621 490776128 /nfs/dbraw/zinc/77/61/28/490776128.db2.gz WIVGQKNPJUODSY-KRWDZBQOSA-N 2 0 361.490 0.874 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000488885076 490780001 /nfs/dbraw/zinc/78/00/01/490780001.db2.gz LCYLAYSVTINGIE-IBGZPJMESA-N 2 0 360.502 0.676 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000557132712 491356081 /nfs/dbraw/zinc/35/60/81/491356081.db2.gz CMTMQMYSNUKZBF-MRXNPFEDSA-N 2 0 356.511 0.260 20 0 FCADRP CN1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000557137528 491356373 /nfs/dbraw/zinc/35/63/73/491356373.db2.gz UKIUACHSWIBFMC-LJQANCHMSA-N 3 0 374.533 0.089 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000514951225 490799725 /nfs/dbraw/zinc/79/97/25/490799725.db2.gz LFCROGXRCBFSSE-CVEARBPZSA-N 2 0 351.495 0.594 20 0 FCADRP O=C(CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000515221039 490814007 /nfs/dbraw/zinc/81/40/07/490814007.db2.gz MTIYFDFQPLZODE-KRWDZBQOSA-N 2 0 359.474 0.555 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242944 491357799 /nfs/dbraw/zinc/35/77/99/491357799.db2.gz DOHTWDJSCHZMNB-MXSMSXNCSA-N 2 0 358.486 0.961 20 0 FCADRP CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000515400390 490824255 /nfs/dbraw/zinc/82/42/55/490824255.db2.gz KVGARZJXJMQGSO-UHFFFAOYSA-N 2 0 356.536 0.910 20 0 FCADRP Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000557183070 491358399 /nfs/dbraw/zinc/35/83/99/491358399.db2.gz FFKYFHCKSVTWDS-IRXDYDNUSA-N 2 0 362.474 0.947 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515643062 490834036 /nfs/dbraw/zinc/83/40/36/490834036.db2.gz YBWMGKCWKKEKBI-KRWDZBQOSA-N 2 0 369.473 0.820 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000557193860 491358822 /nfs/dbraw/zinc/35/88/22/491358822.db2.gz SAIOFCULGLVUHV-ZACQAIPSSA-N 3 0 355.527 0.408 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731131 490838067 /nfs/dbraw/zinc/83/80/67/490838067.db2.gz HVOYBFGNEFKJBA-HNNXBMFYSA-N 2 0 367.494 0.193 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783092 490839591 /nfs/dbraw/zinc/83/95/91/490839591.db2.gz ISBUYSDVJZSPHG-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783093 490839624 /nfs/dbraw/zinc/83/96/24/490839624.db2.gz ISBUYSDVJZSPHG-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872191 490842247 /nfs/dbraw/zinc/84/22/47/490842247.db2.gz VCJUAXOPWCUSIX-LAVFITLUSA-N 2 0 371.485 0.603 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000516056329 490847934 /nfs/dbraw/zinc/84/79/34/490847934.db2.gz RSAAZFFUZXBWMP-SFHVURJKSA-N 2 0 373.501 0.183 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506057331 490849418 /nfs/dbraw/zinc/84/94/18/490849418.db2.gz YISDKLKZDOZHEZ-UHFFFAOYSA-N 2 0 369.506 0.832 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529327184 490852843 /nfs/dbraw/zinc/85/28/43/490852843.db2.gz PARXBVYJDIANPO-HNNXBMFYSA-N 2 0 351.451 0.200 20 0 FCADRP CCNc1nc(NC[C@H](C)N2CC[NH+](CC)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000516170126 490853850 /nfs/dbraw/zinc/85/38/50/490853850.db2.gz BWJHUTDNPNVKMA-AWEZNQCLSA-N 2 0 364.542 0.796 20 0 FCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000529332819 490854113 /nfs/dbraw/zinc/85/41/13/490854113.db2.gz WTHGBLGVEKXOOI-INIZCTEOSA-N 2 0 362.474 0.947 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000541243391 490855844 /nfs/dbraw/zinc/85/58/44/490855844.db2.gz GSSYNPHEDIUMHB-GUDVDZBRSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000565192362 491359081 /nfs/dbraw/zinc/35/90/81/491359081.db2.gz ZYJTWRYCWMUGLT-HXUWFJFHSA-N 2 0 371.485 0.812 20 0 FCADRP COc1cc(C[N@H+](C)CCC[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000516926981 490885267 /nfs/dbraw/zinc/88/52/67/490885267.db2.gz QWWQNPLPYHPGLA-UHFFFAOYSA-N 2 0 351.447 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000557206253 491359583 /nfs/dbraw/zinc/35/95/83/491359583.db2.gz QQDDWKZWVFMSPH-SJORKVTESA-N 2 0 373.501 0.723 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000517019721 490890903 /nfs/dbraw/zinc/89/09/03/490890903.db2.gz IXURWRVJXDZYEG-WMZOPIPTSA-N 2 0 356.470 0.544 20 0 FCADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000517016336 490891047 /nfs/dbraw/zinc/89/10/47/490891047.db2.gz BRPJWHHEYCXLSU-CQSZACIVSA-N 2 0 360.458 0.623 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517059596 490893433 /nfs/dbraw/zinc/89/34/33/490893433.db2.gz WGLOTFUUSCVPOQ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP COc1cncc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1 ZINC000542486545 490898630 /nfs/dbraw/zinc/89/86/30/490898630.db2.gz OGXJLFCFDOVDTE-UHFFFAOYSA-N 2 0 356.492 0.737 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000530377545 490902250 /nfs/dbraw/zinc/90/22/50/490902250.db2.gz PWOIXZKTNRIQQM-BLLLJJGKSA-N 2 0 369.535 0.823 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000517263695 490902325 /nfs/dbraw/zinc/90/23/25/490902325.db2.gz VPHULTBBNLEQTD-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000530429601 490905246 /nfs/dbraw/zinc/90/52/46/490905246.db2.gz JQWVPSCZUGVOAV-JKSUJKDBSA-N 2 0 369.535 0.967 20 0 FCADRP CN1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000517541853 490910932 /nfs/dbraw/zinc/91/09/32/490910932.db2.gz CCJLMUWSTQGDIK-ZWKOTPCHSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000517541618 490911064 /nfs/dbraw/zinc/91/10/64/490911064.db2.gz YDVUGXAVSYYCCW-KBPBESRZSA-N 2 0 360.458 0.000 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000517541619 490911127 /nfs/dbraw/zinc/91/11/27/490911127.db2.gz YDVUGXAVSYYCCW-OKILXGFUSA-N 2 0 360.458 0.000 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000517566859 490912750 /nfs/dbraw/zinc/91/27/50/490912750.db2.gz UCCPSZQIWRHALG-UHFFFAOYSA-N 2 0 365.522 0.855 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000517577856 490913223 /nfs/dbraw/zinc/91/32/23/490913223.db2.gz BKGBIHKCONQSTI-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000517738688 490918691 /nfs/dbraw/zinc/91/86/91/490918691.db2.gz OSLWDPHYBWLRJR-DLBZAZTESA-N 2 0 363.506 0.563 20 0 FCADRP Cc1oc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000530772093 490923584 /nfs/dbraw/zinc/92/35/84/490923584.db2.gz ZRXHJVNAGFKGIP-UHFFFAOYSA-N 2 0 374.507 0.404 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000530880885 490929715 /nfs/dbraw/zinc/92/97/15/490929715.db2.gz PNDJHCRXXXRBTQ-UHFFFAOYSA-N 2 0 356.492 0.041 20 0 FCADRP C[C@@H](CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380834 490931134 /nfs/dbraw/zinc/93/11/34/490931134.db2.gz RNSJRDAEMKAOBW-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000531122091 490941646 /nfs/dbraw/zinc/94/16/46/490941646.db2.gz VBRIASUSQYUHPK-AWEZNQCLSA-N 2 0 367.494 0.191 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000518540313 490944676 /nfs/dbraw/zinc/94/46/76/490944676.db2.gz GQDNUZSASSXGPL-NUJGCVRESA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518738559 490949674 /nfs/dbraw/zinc/94/96/74/490949674.db2.gz ZVJIQKIYMVSCDD-RRFJBIMHSA-N 2 0 352.479 0.302 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)CC[C@H]21 ZINC000518960823 490956668 /nfs/dbraw/zinc/95/66/68/490956668.db2.gz VVTBPKUWMDPPPG-WNRNVDISSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000572399869 491367566 /nfs/dbraw/zinc/36/75/66/491367566.db2.gz DIPIPMPVMGUPHH-OAQYLSRUSA-N 2 0 370.497 0.684 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519643558 490981464 /nfs/dbraw/zinc/98/14/64/490981464.db2.gz SVZGNZYQISZGBI-RDJZCZTQSA-N 2 0 350.507 0.635 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000519690928 490984346 /nfs/dbraw/zinc/98/43/46/490984346.db2.gz PTNHFOVNPKKDGQ-DZGCQCFKSA-N 2 0 372.477 0.712 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532093842 490986625 /nfs/dbraw/zinc/98/66/25/490986625.db2.gz JXQXCZIYVMUXGT-LJQANCHMSA-N 2 0 365.566 0.641 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532282233 490990329 /nfs/dbraw/zinc/99/03/29/490990329.db2.gz FNYYBCPBIOXBEZ-IRXDYDNUSA-N 2 0 368.522 0.462 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000569721337 491185656 /nfs/dbraw/zinc/18/56/56/491185656.db2.gz OBWVDPKALMHUKB-ZWKOTPCHSA-N 2 0 374.485 0.505 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000557500930 491379150 /nfs/dbraw/zinc/37/91/50/491379150.db2.gz OOLUEWOLTVLJSS-IAGOWNOFSA-N 2 0 368.522 0.593 20 0 FCADRP CCn1nc(C)c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000557603090 491386574 /nfs/dbraw/zinc/38/65/74/491386574.db2.gz STCDVRMLNVQFQS-UHFFFAOYSA-N 2 0 366.510 0.088 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000572699729 491387397 /nfs/dbraw/zinc/38/73/97/491387397.db2.gz KJVVIKQDIVJWQG-QGZVFWFLSA-N 2 0 368.522 0.213 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000572726118 491389301 /nfs/dbraw/zinc/38/93/01/491389301.db2.gz KJTJYHIFKVHXAJ-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572905891 491401270 /nfs/dbraw/zinc/40/12/70/491401270.db2.gz IRMVECHASKMSKB-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573132128 491414782 /nfs/dbraw/zinc/41/47/82/491414782.db2.gz JHCKLDIBWYBRIU-IAGOWNOFSA-N 2 0 366.506 0.033 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000573192650 491417764 /nfs/dbraw/zinc/41/77/64/491417764.db2.gz ADRSPPXGCLVWOU-AWEZNQCLSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209462 491419345 /nfs/dbraw/zinc/41/93/45/491419345.db2.gz OHVUBKFLHKFVLH-XHSDSOJGSA-N 2 0 354.495 0.202 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321421 491426408 /nfs/dbraw/zinc/42/64/08/491426408.db2.gz UVNVJLVIKCZFKV-AZUAARDMSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000566236860 491428845 /nfs/dbraw/zinc/42/88/45/491428845.db2.gz CEFSDMFFNAFHHB-QAPCUYQASA-N 2 0 358.486 0.919 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000573490354 491436609 /nfs/dbraw/zinc/43/66/09/491436609.db2.gz MLMOGFOPYJKYGG-ZIAGYGMSSA-N 2 0 352.454 0.958 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000573505857 491437577 /nfs/dbraw/zinc/43/75/77/491437577.db2.gz DHNMPOWXPRMUGM-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511296 491438065 /nfs/dbraw/zinc/43/80/65/491438065.db2.gz BXQHHOVTHYWPJS-RDJZCZTQSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511286 491438181 /nfs/dbraw/zinc/43/81/81/491438181.db2.gz BXQHHOVTHYWPJS-DOTOQJQBSA-N 2 0 358.486 0.976 20 0 FCADRP COCC1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]CC1 ZINC000573548615 491439849 /nfs/dbraw/zinc/43/98/49/491439849.db2.gz LTPBCJOYVXKJPK-UHFFFAOYSA-N 2 0 368.522 0.756 20 0 FCADRP CCC[NH+]1CCN(c2ccccc2CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000566491669 491448003 /nfs/dbraw/zinc/44/80/03/491448003.db2.gz WBZYRZBAQAJDTQ-RBUKOAKNSA-N 2 0 371.529 0.962 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496682 491448929 /nfs/dbraw/zinc/44/89/29/491448929.db2.gz SZUAQUZXLWUVCI-ZWKOTPCHSA-N 2 0 356.470 0.669 20 0 FCADRP NC(=O)NCCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000566677922 491459868 /nfs/dbraw/zinc/45/98/68/491459868.db2.gz YNSIRBIXDUKAFK-UHFFFAOYSA-N 2 0 361.490 0.935 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000566776598 491466374 /nfs/dbraw/zinc/46/63/74/491466374.db2.gz ZSNROKKXDCZGHI-UHFFFAOYSA-N 2 0 369.531 0.919 20 0 FCADRP CC(=O)NCCN(C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574079624 491473082 /nfs/dbraw/zinc/47/30/82/491473082.db2.gz JWJGSOXRNKKXIF-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000566987475 491479822 /nfs/dbraw/zinc/47/98/22/491479822.db2.gz YBBZJRSDKAQEHY-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000559760933 491496982 /nfs/dbraw/zinc/49/69/82/491496982.db2.gz SFYGGNMAUGYURV-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP CCc1nocc1CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567330685 491499893 /nfs/dbraw/zinc/49/98/93/491499893.db2.gz AFDZXBOPOLXCDU-UHFFFAOYSA-N 2 0 353.467 0.147 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567356387 491501711 /nfs/dbraw/zinc/50/17/11/491501711.db2.gz JRQLGPMIUZDUGO-HKUYNNGSSA-N 3 0 352.523 0.805 20 0 FCADRP CCC(CC)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574515794 491502149 /nfs/dbraw/zinc/50/21/49/491502149.db2.gz UYWSOYYQBQBCKT-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574518554 491502520 /nfs/dbraw/zinc/50/25/20/491502520.db2.gz MQTANLLRAZPKPY-JKSUJKDBSA-N 2 0 369.535 0.728 20 0 FCADRP C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000567383721 491503182 /nfs/dbraw/zinc/50/31/82/491503182.db2.gz WOOVMWBZRSEATC-CABCVRRESA-N 2 0 352.479 0.004 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000559834680 491503741 /nfs/dbraw/zinc/50/37/41/491503741.db2.gz WMJOVSKXVCIVBR-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000574549431 491504580 /nfs/dbraw/zinc/50/45/80/491504580.db2.gz TZUSQAQERSPXNG-RBUKOAKNSA-N 2 0 372.513 0.865 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCSC1 ZINC000559868512 491506958 /nfs/dbraw/zinc/50/69/58/491506958.db2.gz ZBCIESFGXOJCIY-GOSISDBHSA-N 2 0 368.547 0.627 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567494190 491510067 /nfs/dbraw/zinc/51/00/67/491510067.db2.gz UEDLOJRVJYPSFE-DOTOQJQBSA-N 2 0 365.474 0.438 20 0 FCADRP COC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496287 491510160 /nfs/dbraw/zinc/51/01/60/491510160.db2.gz VAXMFPCUGPYXJD-OXQOHEQNSA-N 2 0 374.485 0.949 20 0 FCADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000574663201 491511753 /nfs/dbraw/zinc/51/17/53/491511753.db2.gz ILSUPGAGJFOZNM-INIZCTEOSA-N 2 0 360.506 0.854 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000560017803 491515743 /nfs/dbraw/zinc/51/57/43/491515743.db2.gz ZLRLMWOLWWNJBK-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000567638802 491519810 /nfs/dbraw/zinc/51/98/10/491519810.db2.gz GZCBERLQMZHGKB-CYBMUJFWSA-N 2 0 354.476 0.531 20 0 FCADRP C[C@]1(n2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CCS(=O)(=O)C1 ZINC000574917005 491527754 /nfs/dbraw/zinc/52/77/54/491527754.db2.gz PBOZLPCTPSVDEU-BBWFWOEESA-N 2 0 352.504 0.848 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000567835472 491533212 /nfs/dbraw/zinc/53/32/12/491533212.db2.gz RDPSGHDOTPMYCG-QMTMVMCOSA-N 2 0 366.506 0.189 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1(C)C ZINC000567835471 491533241 /nfs/dbraw/zinc/53/32/41/491533241.db2.gz RDPSGHDOTPMYCG-KHYOSLBOSA-N 2 0 366.506 0.189 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038290 491535138 /nfs/dbraw/zinc/53/51/38/491535138.db2.gz LTEHPTVZIYHRGJ-OLZOCXBDSA-N 2 0 351.417 0.558 20 0 FCADRP COC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CC[NH2+]C1 ZINC000567972742 491544328 /nfs/dbraw/zinc/54/43/28/491544328.db2.gz LYOHGPXJJHFPIJ-IBGZPJMESA-N 2 0 365.474 0.878 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400012 491551630 /nfs/dbraw/zinc/55/16/30/491551630.db2.gz HKOIBAAYYZEUQQ-SQNIBIBYSA-N 2 0 371.485 0.303 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000575820483 491563001 /nfs/dbraw/zinc/56/30/01/491563001.db2.gz BVGVZORJGOYAEZ-IKGGRYGDSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000575886245 491567735 /nfs/dbraw/zinc/56/77/35/491567735.db2.gz JFQFKQBGTMKGED-FUHWJXTLSA-N 2 0 360.502 0.828 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000575898679 491568728 /nfs/dbraw/zinc/56/87/28/491568728.db2.gz YFBMXCLGVFHMTQ-ROUUACIJSA-N 2 0 362.474 0.565 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000568309871 491569039 /nfs/dbraw/zinc/56/90/39/491569039.db2.gz YMIVXJNFEDVXFH-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000561013804 491570596 /nfs/dbraw/zinc/57/05/96/491570596.db2.gz BGNDOKAKAOLATO-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000568372878 491572302 /nfs/dbraw/zinc/57/23/02/491572302.db2.gz BISNLFGODYMZHD-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCSC1 ZINC000561052889 491572900 /nfs/dbraw/zinc/57/29/00/491572900.db2.gz XSBBFWXQFZMZLK-INIZCTEOSA-N 2 0 365.507 0.445 20 0 FCADRP [NH3+][C@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000561181729 491580821 /nfs/dbraw/zinc/58/08/21/491580821.db2.gz OVNXYCPONPXGQR-ROUUACIJSA-N 2 0 358.486 0.617 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000576090611 491580891 /nfs/dbraw/zinc/58/08/91/491580891.db2.gz GZWJCRPNPWFJHX-UHFFFAOYSA-N 2 0 362.478 0.643 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000576100551 491581228 /nfs/dbraw/zinc/58/12/28/491581228.db2.gz PRAKYNBHWRVCAF-JKSUJKDBSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000561192034 491581719 /nfs/dbraw/zinc/58/17/19/491581719.db2.gz IBBXAWCNCBRWIX-UHFFFAOYSA-N 2 0 360.462 0.029 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203851 491582351 /nfs/dbraw/zinc/58/23/51/491582351.db2.gz SUPXTIFYDVVQEG-UHFFFAOYSA-N 2 0 353.511 0.572 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000561638866 491622356 /nfs/dbraw/zinc/62/23/56/491622356.db2.gz DXTMSZURBXSOON-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000576693337 491636435 /nfs/dbraw/zinc/63/64/35/491636435.db2.gz WSZGLWRAYPCLRC-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000576695585 491636567 /nfs/dbraw/zinc/63/65/67/491636567.db2.gz OJFFSAGZAILQLI-CBZIJGRNSA-N 2 0 360.502 0.815 20 0 FCADRP COC(=O)c1cc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000561953676 491642213 /nfs/dbraw/zinc/64/22/13/491642213.db2.gz XGIPOQCJQKFEJN-OAHLLOKOSA-N 2 0 350.463 0.844 20 0 FCADRP NC(=O)c1nccnc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000569227089 491643888 /nfs/dbraw/zinc/64/38/88/491643888.db2.gz XDWIPYYRTXMIFN-UHFFFAOYSA-N 2 0 368.441 0.299 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000562001784 491646764 /nfs/dbraw/zinc/64/67/64/491646764.db2.gz PVBBCHSPRSCECH-IKGGRYGDSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1[NH+](C)C ZINC000577795962 491652985 /nfs/dbraw/zinc/65/29/85/491652985.db2.gz BESWGJNKDZNLAS-GUYCJALGSA-N 2 0 364.465 0.912 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578134758 491670783 /nfs/dbraw/zinc/67/07/83/491670783.db2.gz CKKUPVABXDRIQB-SJLPKXTDSA-N 2 0 372.517 0.835 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000683501063 493356548 /nfs/dbraw/zinc/35/65/48/493356548.db2.gz KJUUFFJRVDMSID-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000578401914 491676573 /nfs/dbraw/zinc/67/65/73/491676573.db2.gz FVBOCHDHQRGMEG-OAHLLOKOSA-N 2 0 356.511 0.260 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1c1cccc(F)c1 ZINC000578433971 491677205 /nfs/dbraw/zinc/67/72/05/491677205.db2.gz RWYUYMDKOGHLDM-OKZBNKHCSA-N 2 0 374.460 0.776 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(=O)NC(=O)NC)CC1 ZINC000578803458 491684859 /nfs/dbraw/zinc/68/48/59/491684859.db2.gz XPJOBIKHXSUJDE-UHFFFAOYSA-N 2 0 369.510 0.392 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000579018008 491689255 /nfs/dbraw/zinc/68/92/55/491689255.db2.gz MLUZUOHOQHZUOP-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC(=O)N[C@@H](C)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000579060488 491690101 /nfs/dbraw/zinc/69/01/01/491690101.db2.gz GIPVERJXRZGMBX-XJKSGUPXSA-N 2 0 352.479 0.302 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000579118919 491691420 /nfs/dbraw/zinc/69/14/20/491691420.db2.gz FNCUXKWYMLMKMW-SFHVURJKSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000579178245 491692547 /nfs/dbraw/zinc/69/25/47/491692547.db2.gz APALMOZSGJOHCE-GASCZTMLSA-N 2 0 352.479 0.113 20 0 FCADRP CN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000579227882 491693453 /nfs/dbraw/zinc/69/34/53/491693453.db2.gz LJTWBAZBDMWLEY-LJQANCHMSA-N 2 0 359.518 0.690 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254194 491694161 /nfs/dbraw/zinc/69/41/61/491694161.db2.gz AKLAGMKDFIASLN-GJZGRUSLSA-N 2 0 355.483 0.597 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000579261082 491694243 /nfs/dbraw/zinc/69/42/43/491694243.db2.gz YKYMSBYCZBKSIW-OAHLLOKOSA-N 2 0 361.490 0.619 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000579308738 491695134 /nfs/dbraw/zinc/69/51/34/491695134.db2.gz YMMMNJWPRPNBGA-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000579690629 491703088 /nfs/dbraw/zinc/70/30/88/491703088.db2.gz VAJGUWAACFYKSM-GJZGRUSLSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000584710133 491710894 /nfs/dbraw/zinc/71/08/94/491710894.db2.gz JXIJZKAMMIIBAI-UHFFFAOYSA-N 2 0 353.511 0.476 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781705 491714179 /nfs/dbraw/zinc/71/41/79/491714179.db2.gz OOGLTJXPRGIBIX-SJORKVTESA-N 2 0 374.485 0.886 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000580053827 491714970 /nfs/dbraw/zinc/71/49/70/491714970.db2.gz VYYCNHXQDPLAAP-MRXNPFEDSA-N 2 0 354.495 0.557 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000580062705 491715580 /nfs/dbraw/zinc/71/55/80/491715580.db2.gz WBCYWYIBRSDAEX-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000580062708 491715653 /nfs/dbraw/zinc/71/56/53/491715653.db2.gz WBCYWYIBRSDAEX-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000580327487 491726218 /nfs/dbraw/zinc/72/62/18/491726218.db2.gz OCUGMYQRHUOPHO-SJORKVTESA-N 2 0 351.447 0.431 20 0 FCADRP C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000580631976 491739233 /nfs/dbraw/zinc/73/92/33/491739233.db2.gz HSGMDPBVZYBYFS-OCCSQVGLSA-N 2 0 363.428 0.772 20 0 FCADRP C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000580631968 491739373 /nfs/dbraw/zinc/73/93/73/491739373.db2.gz HSGMDPBVZYBYFS-GXTWGEPZSA-N 2 0 363.428 0.772 20 0 FCADRP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000580882531 491750078 /nfs/dbraw/zinc/75/00/78/491750078.db2.gz QSAQSHOIUWKMKM-OAHLLOKOSA-N 2 0 359.474 0.164 20 0 FCADRP O=C(CCN1CCCC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000589948302 491767817 /nfs/dbraw/zinc/76/78/17/491767817.db2.gz UQYOYCJTQHCNQB-UHFFFAOYSA-N 2 0 359.474 0.722 20 0 FCADRP CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000581448338 491773277 /nfs/dbraw/zinc/77/32/77/491773277.db2.gz OGFQACCSCFDZKR-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CCCO1 ZINC000581450049 491773654 /nfs/dbraw/zinc/77/36/54/491773654.db2.gz QWURERRGDAASAU-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CN(C[C@@H](O)C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000581484714 491774761 /nfs/dbraw/zinc/77/47/61/491774761.db2.gz ZQZGSBNMLFLDLZ-HNNXBMFYSA-N 2 0 352.479 0.676 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581551121 491777443 /nfs/dbraw/zinc/77/74/43/491777443.db2.gz BJCFGEYZTPALMQ-UYAOXDASSA-N 2 0 371.529 0.703 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)C1=CC[N@H+](C)CC1 ZINC000581575558 491778501 /nfs/dbraw/zinc/77/85/01/491778501.db2.gz VPWYKSUOKBRRFR-HNNXBMFYSA-N 2 0 362.474 0.936 20 0 FCADRP CN(c1ccccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618667 491780145 /nfs/dbraw/zinc/78/01/45/491780145.db2.gz KOYKTDHBHZBAMD-MOPGFXCFSA-N 2 0 371.529 0.961 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000581721861 491784228 /nfs/dbraw/zinc/78/42/28/491784228.db2.gz TUEJZTKSEFJMDD-CVEARBPZSA-N 2 0 367.490 0.669 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581777610 491785892 /nfs/dbraw/zinc/78/58/92/491785892.db2.gz BTZGBINDOIHUBF-JKSUJKDBSA-N 2 0 367.538 0.105 20 0 FCADRP COc1cccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000581940538 491791042 /nfs/dbraw/zinc/79/10/42/491791042.db2.gz OYYOJLRAAQWXHH-MSOLQXFVSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000581942765 491791451 /nfs/dbraw/zinc/79/14/51/491791451.db2.gz SIRWDAGFSFKXQG-SIXLDLHFSA-N 2 0 363.506 0.641 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585255 493364065 /nfs/dbraw/zinc/36/40/65/493364065.db2.gz PHEFXHWJJNDHDP-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000582133964 491799727 /nfs/dbraw/zinc/79/97/27/491799727.db2.gz YIMHPXNWPSZCHC-UHFFFAOYSA-N 2 0 352.504 0.884 20 0 FCADRP O=C(CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1CC[NH2+]CC1 ZINC000582176464 491801262 /nfs/dbraw/zinc/80/12/62/491801262.db2.gz VCZZIPAMSUWOJZ-ZWKOTPCHSA-N 2 0 371.485 0.334 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC1=O ZINC000582244169 491804054 /nfs/dbraw/zinc/80/40/54/491804054.db2.gz OCDYIVUDQYYERG-CYBMUJFWSA-N 2 0 365.503 0.959 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000582563722 491818059 /nfs/dbraw/zinc/81/80/59/491818059.db2.gz OMDZRZUYKBWTBZ-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000591728235 491822645 /nfs/dbraw/zinc/82/26/45/491822645.db2.gz CFZPFJYFAYSXES-MRXNPFEDSA-N 2 0 350.463 0.627 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000582740950 491824675 /nfs/dbraw/zinc/82/46/75/491824675.db2.gz HMANQWSPEFJFJK-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467617 491845501 /nfs/dbraw/zinc/84/55/01/491845501.db2.gz JLLVJOMCZZQANO-NVXWUHKLSA-N 2 0 362.518 0.943 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]21 ZINC000583565341 491847634 /nfs/dbraw/zinc/84/76/34/491847634.db2.gz AGJWTMBUWWCSBP-ARFHVFGLSA-N 2 0 360.458 0.623 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000583629901 491848977 /nfs/dbraw/zinc/84/89/77/491848977.db2.gz RKRNCDRPXCWYDJ-JKSUJKDBSA-N 2 0 362.478 0.267 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583687788 491849970 /nfs/dbraw/zinc/84/99/70/491849970.db2.gz VHSTUNIOVHTOOV-AEFFLSMTSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000583802200 491852208 /nfs/dbraw/zinc/85/22/08/491852208.db2.gz BVTFGGXERJPYJW-QPSCCSFWSA-N 2 0 352.458 0.630 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)C2)C1 ZINC000583866128 491853523 /nfs/dbraw/zinc/85/35/23/491853523.db2.gz WKADBBWQFQWJTM-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881712 491854022 /nfs/dbraw/zinc/85/40/22/491854022.db2.gz JIWNQYAUZFTTAN-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583919918 491854701 /nfs/dbraw/zinc/85/47/01/491854701.db2.gz QTRUIAFYPZVPNH-IBGZPJMESA-N 2 0 360.458 0.907 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000584110097 491858693 /nfs/dbraw/zinc/85/86/93/491858693.db2.gz PLVSNTUPTPHJJQ-GJZGRUSLSA-N 2 0 350.467 0.117 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000584172772 491859992 /nfs/dbraw/zinc/85/99/92/491859992.db2.gz DLXPXVNUOHOQBK-ZIAGYGMSSA-N 2 0 352.454 0.958 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257563 491861849 /nfs/dbraw/zinc/86/18/49/491861849.db2.gz YMUREDJEWZQARK-FPCVCCKLSA-N 2 0 350.507 0.964 20 0 FCADRP COc1cc(OC)cc(OCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000584340854 491863299 /nfs/dbraw/zinc/86/32/99/491863299.db2.gz RBVCVGIDJZJFMS-CYBMUJFWSA-N 2 0 352.435 0.367 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000611954458 491885078 /nfs/dbraw/zinc/88/50/78/491885078.db2.gz BSBKEDZJOGUVAO-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594282 491936156 /nfs/dbraw/zinc/93/61/56/491936156.db2.gz JBXXAAASMWCSCZ-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612595851 491936864 /nfs/dbraw/zinc/93/68/64/491936864.db2.gz REGCMDYPWVQOMA-IRXDYDNUSA-N 2 0 366.506 0.297 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612595850 491936911 /nfs/dbraw/zinc/93/69/11/491936911.db2.gz REGCMDYPWVQOMA-IAGOWNOFSA-N 2 0 366.506 0.297 20 0 FCADRP COC[C@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000601897402 491953753 /nfs/dbraw/zinc/95/37/53/491953753.db2.gz PHAUBBASBFCICI-GOSISDBHSA-N 2 0 365.478 0.290 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916539 491958300 /nfs/dbraw/zinc/95/83/00/491958300.db2.gz AXSDZBHDACJDOJ-HUUCEWRRSA-N 2 0 363.510 0.692 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000613422715 491981375 /nfs/dbraw/zinc/98/13/75/491981375.db2.gz JEGVIHOYJMBJDK-SFHVURJKSA-N 2 0 352.523 0.774 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659982 491990215 /nfs/dbraw/zinc/99/02/15/491990215.db2.gz GHDJALSNWXFTMU-YLFCFFPRSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000597460187 492039620 /nfs/dbraw/zinc/03/96/20/492039620.db2.gz ISFXAQHDLMFPEC-QGZVFWFLSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)ccn2)CC1 ZINC000604169047 492052502 /nfs/dbraw/zinc/05/25/02/492052502.db2.gz GTWHVEJNZMGLOZ-MRXNPFEDSA-N 2 0 358.490 0.869 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604640646 492065973 /nfs/dbraw/zinc/06/59/73/492065973.db2.gz YANWOBFUNJWUQU-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cccc(C(=O)NCC3([NH+](C)C)CC3)c2N)CC1 ZINC000616341259 492126248 /nfs/dbraw/zinc/12/62/48/492126248.db2.gz MXWMVPGQEKXHDY-UHFFFAOYSA-N 2 0 373.501 0.917 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606701249 492127295 /nfs/dbraw/zinc/12/72/95/492127295.db2.gz ZBBNOHQEBOFDKJ-INIZCTEOSA-N 2 0 365.522 0.666 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607226890 492141077 /nfs/dbraw/zinc/14/10/77/492141077.db2.gz IMKIVANZQBXIAV-QGZVFWFLSA-N 3 0 357.543 0.478 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccccc1F ZINC000607236607 492141546 /nfs/dbraw/zinc/14/15/46/492141546.db2.gz XMTYKCDLVLQBTN-UHFFFAOYSA-N 2 0 367.469 0.690 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000607229442 492141641 /nfs/dbraw/zinc/14/16/41/492141641.db2.gz YQPDPUFOFMIAHZ-IRXDYDNUSA-N 3 0 357.543 0.621 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCO)CC2)Cc2ccccc2C1 ZINC000608678434 492185871 /nfs/dbraw/zinc/18/58/71/492185871.db2.gz VSHAVASSPUFCCN-UHFFFAOYSA-N 2 0 360.502 0.842 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000608700192 492188063 /nfs/dbraw/zinc/18/80/63/492188063.db2.gz VWQFFFCLOMONQC-UHFFFAOYSA-N 2 0 362.540 0.477 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCCC[NH+]3CCOCC3)C2)CC1 ZINC000609291633 492204363 /nfs/dbraw/zinc/20/43/63/492204363.db2.gz YYNPAUWFQDIWSQ-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000610250151 492239337 /nfs/dbraw/zinc/23/93/37/492239337.db2.gz BSXADKPPFKKAGD-HNNXBMFYSA-N 2 0 351.495 0.417 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000619900057 492282484 /nfs/dbraw/zinc/28/24/84/492282484.db2.gz RMEIYEXFZBHRCT-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000641825334 492310577 /nfs/dbraw/zinc/31/05/77/492310577.db2.gz SACGZCYJCKHQDO-CVEARBPZSA-N 2 0 354.495 0.286 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000627503803 492325471 /nfs/dbraw/zinc/32/54/71/492325471.db2.gz CMPFXJCVDKXGGY-LLVKDONJSA-N 2 0 350.385 0.340 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260026 492331244 /nfs/dbraw/zinc/33/12/44/492331244.db2.gz PQUXHAJIBISNOL-IRXDYDNUSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260022 492331468 /nfs/dbraw/zinc/33/14/68/492331468.db2.gz PQUXHAJIBISNOL-DLBZAZTESA-N 2 0 365.522 0.714 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000642080268 492331807 /nfs/dbraw/zinc/33/18/07/492331807.db2.gz CQJLEVLDIOCGPJ-XQQFMLRXSA-N 2 0 354.476 0.042 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC000634271666 492332311 /nfs/dbraw/zinc/33/23/11/492332311.db2.gz VMSSZEHHGGUENT-ARFHVFGLSA-N 2 0 351.495 0.418 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647597644 492332371 /nfs/dbraw/zinc/33/23/71/492332371.db2.gz CKBZNSCFODQQRB-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642104454 492334815 /nfs/dbraw/zinc/33/48/15/492334815.db2.gz UNPXXTMSGFYWQM-SQNIBIBYSA-N 2 0 358.486 0.486 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195164 492339909 /nfs/dbraw/zinc/33/99/09/492339909.db2.gz BSWLJZKXCISICI-QXSJWSMHSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194110 492340294 /nfs/dbraw/zinc/34/02/94/492340294.db2.gz WJMOTKSUMBGAAA-YRNRMSPPSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000642195248 492340376 /nfs/dbraw/zinc/34/03/76/492340376.db2.gz SERHJHQDVOYSFS-XWTMOSNGSA-N 2 0 356.470 0.616 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCCCCC1 ZINC000642220435 492342282 /nfs/dbraw/zinc/34/22/82/492342282.db2.gz DHSCCLUZDULKCG-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642254036 492345472 /nfs/dbraw/zinc/34/54/72/492345472.db2.gz ZYOBDBGWUPOXPN-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642254012 492345541 /nfs/dbraw/zinc/34/55/41/492345541.db2.gz WWHNPLUQAOJBOY-KRWDZBQOSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642254013 492346049 /nfs/dbraw/zinc/34/60/49/492346049.db2.gz WWHNPLUQAOJBOY-QGZVFWFLSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642257986 492347033 /nfs/dbraw/zinc/34/70/33/492347033.db2.gz SMKTXFZPGFZQBP-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642288134 492348679 /nfs/dbraw/zinc/34/86/79/492348679.db2.gz CDCSBIKISJOVOG-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642302690 492349599 /nfs/dbraw/zinc/34/95/99/492349599.db2.gz VDCNYJPTTJRASR-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642330553 492351739 /nfs/dbraw/zinc/35/17/39/492351739.db2.gz UOUBFWICSSQRTQ-YYIAUSFCSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642330446 492352251 /nfs/dbraw/zinc/35/22/51/492352251.db2.gz KIEYYADTZMATMP-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105064 492356435 /nfs/dbraw/zinc/35/64/35/492356435.db2.gz KPKLTDKCSJQXFQ-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000642439521 492358095 /nfs/dbraw/zinc/35/80/95/492358095.db2.gz KITWCMPKWGOPDH-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640689 492368376 /nfs/dbraw/zinc/36/83/76/492368376.db2.gz ISOVKRBOMSCCRY-INDMIFKZSA-N 2 0 370.497 0.963 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000642640890 492369084 /nfs/dbraw/zinc/36/90/84/492369084.db2.gz IWMVLRBTUUDWRN-SFHVURJKSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000642685012 492372653 /nfs/dbraw/zinc/37/26/53/492372653.db2.gz HFNIHGVUMBMLPL-RRFJBIMHSA-N 2 0 362.474 0.375 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000642731420 492381573 /nfs/dbraw/zinc/38/15/73/492381573.db2.gz CHSOUDXWZHSEFE-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000642731683 492381768 /nfs/dbraw/zinc/38/17/68/492381768.db2.gz JHLRCVHPEIOBEV-RCBQFDQVSA-N 2 0 366.437 0.119 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000642731688 492381916 /nfs/dbraw/zinc/38/19/16/492381916.db2.gz JHNQMJRPYLHZIX-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642732683 492382386 /nfs/dbraw/zinc/38/23/86/492382386.db2.gz OREGKWPICGQPHH-YVSFHVDLSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976678 492390640 /nfs/dbraw/zinc/39/06/40/492390640.db2.gz RVZAHGCPERDCCS-OIISXLGYSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cn2)CC1 ZINC000635099835 492392503 /nfs/dbraw/zinc/39/25/03/492392503.db2.gz OKYYSIVRJGXJTB-WMLDXEAASA-N 2 0 374.489 0.641 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000642793298 492393091 /nfs/dbraw/zinc/39/30/91/492393091.db2.gz WTEBSWQYUQMIRE-UHFFFAOYSA-N 2 0 354.520 0.332 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642793207 492393147 /nfs/dbraw/zinc/39/31/47/492393147.db2.gz VPXUESWYBCJROW-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642806196 492395618 /nfs/dbraw/zinc/39/56/18/492395618.db2.gz KEFWJZPIKIMEAD-AWEZNQCLSA-N 2 0 354.495 0.250 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000642801803 492395821 /nfs/dbraw/zinc/39/58/21/492395821.db2.gz FNMAXHZHPSHMHO-YJBOKZPZSA-N 2 0 374.485 0.342 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000642808934 492396865 /nfs/dbraw/zinc/39/68/65/492396865.db2.gz KKLXLNSGXNBRHR-DOTOQJQBSA-N 2 0 364.465 0.960 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887403 492397726 /nfs/dbraw/zinc/39/77/26/492397726.db2.gz SZJGHUCNVLBFKR-HPBDAGMYSA-N 2 0 374.460 0.822 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642906076 492401105 /nfs/dbraw/zinc/40/11/05/492401105.db2.gz ZSXCBLMWUTUEIK-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096236 492402634 /nfs/dbraw/zinc/40/26/34/492402634.db2.gz PUBIHJQQQADJNV-BJLQDIEVSA-N 2 0 361.486 0.537 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642918059 492402827 /nfs/dbraw/zinc/40/28/27/492402827.db2.gz LNGLGPBTBDHHOB-INIZCTEOSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973555 492409129 /nfs/dbraw/zinc/40/91/29/492409129.db2.gz DNJOFGKGVIVGPT-SYNHAJSKSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838028 492421540 /nfs/dbraw/zinc/42/15/40/492421540.db2.gz WMHGSGJBEDWFSX-ZWOKBUDYSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)([NH+](C)C)C1 ZINC000621839371 492422321 /nfs/dbraw/zinc/42/23/21/492422321.db2.gz RQEUEEAFKAMIMD-LVFSCSRESA-N 2 0 350.507 0.953 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCNC1=O ZINC000655280829 492422975 /nfs/dbraw/zinc/42/29/75/492422975.db2.gz WWUSHLDEMWKSEE-MRXNPFEDSA-N 2 0 374.489 0.419 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621841267 492422944 /nfs/dbraw/zinc/42/29/44/492422944.db2.gz SPQRWMWHBXAGLC-OXQOHEQNSA-N 2 0 374.485 0.583 20 0 FCADRP Cc1coc(CC(=O)NC[C@@H](C)[NH+](C)C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000635255283 492423664 /nfs/dbraw/zinc/42/36/64/492423664.db2.gz PIHDRXPENVAZPY-ZIAGYGMSSA-N 2 0 352.479 0.877 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845683 492425998 /nfs/dbraw/zinc/42/59/98/492425998.db2.gz NQNICEDFZIZREH-KUHUBIRLSA-N 2 0 366.506 0.332 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622025383 492441805 /nfs/dbraw/zinc/44/18/05/492441805.db2.gz PODXABCMLYDJDK-LPHOPBHVSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000655508295 492449877 /nfs/dbraw/zinc/44/98/77/492449877.db2.gz MBTFMDPAQMWXIA-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758967 492451795 /nfs/dbraw/zinc/45/17/95/492451795.db2.gz OKKYTOLCAPEDRH-PVTMVUMOSA-N 2 0 350.507 0.678 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648760076 492451997 /nfs/dbraw/zinc/45/19/97/492451997.db2.gz DTNWZOKVMRXBMP-MUIFIZLQSA-N 2 0 350.507 0.774 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552414 492455470 /nfs/dbraw/zinc/45/54/70/492455470.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 2 0 367.538 0.301 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556307 492456424 /nfs/dbraw/zinc/45/64/24/492456424.db2.gz HLOYDYJRSHFXAX-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557281 492457589 /nfs/dbraw/zinc/45/75/89/492457589.db2.gz WATKJMWJWUXDKA-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635499194 492458970 /nfs/dbraw/zinc/45/89/70/492458970.db2.gz UVJYACNWGRLEGZ-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000628103683 492464044 /nfs/dbraw/zinc/46/40/44/492464044.db2.gz PFFKWENBRFEYQC-KRWDZBQOSA-N 2 0 362.474 0.650 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635559797 492472025 /nfs/dbraw/zinc/47/20/25/492472025.db2.gz VSLLZUKWWDQANJ-UHFFFAOYSA-N 2 0 368.522 0.261 20 0 FCADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(C)s1 ZINC000643475134 492472664 /nfs/dbraw/zinc/47/26/64/492472664.db2.gz JDGNKRHCFGUWPJ-IACUBPJLSA-N 2 0 361.533 0.985 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C[C@H]21 ZINC000643478978 492475213 /nfs/dbraw/zinc/47/52/13/492475213.db2.gz YBBXFEWEMRNQEL-DJIMGWMZSA-N 2 0 357.458 0.316 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643480997 492476902 /nfs/dbraw/zinc/47/69/02/492476902.db2.gz SSUMXBKHEROUOF-RTBURBONSA-N 2 0 370.497 0.789 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)o1 ZINC000643494318 492481295 /nfs/dbraw/zinc/48/12/95/492481295.db2.gz QIUUZQVHILCFEG-HOCLYGCPSA-N 2 0 366.462 0.053 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000643500316 492483052 /nfs/dbraw/zinc/48/30/52/492483052.db2.gz BTOVXMYCGSYXQX-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000643504143 492483871 /nfs/dbraw/zinc/48/38/71/492483871.db2.gz FTXNCJLXODNBOC-BZSNNMDCSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643525067 492489763 /nfs/dbraw/zinc/48/97/63/492489763.db2.gz QOBOHZHCLYHFSF-QGZVFWFLSA-N 2 0 362.518 0.923 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CCO1 ZINC000643524296 492490297 /nfs/dbraw/zinc/49/02/97/492490297.db2.gz DWMFXAHVUOBTGQ-HIFRSBDPSA-N 2 0 368.503 0.213 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643544151 492495501 /nfs/dbraw/zinc/49/55/01/492495501.db2.gz RMAZXDWZFGIZIB-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2C1 ZINC000655958931 492497906 /nfs/dbraw/zinc/49/79/06/492497906.db2.gz PMSHWKIRQNGQDA-JLSDUUJJSA-N 2 0 371.485 0.969 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549862 492498043 /nfs/dbraw/zinc/49/80/43/492498043.db2.gz WWCSBHYTVAZUOU-DIECFANBSA-N 2 0 364.490 0.036 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643590319 492501663 /nfs/dbraw/zinc/50/16/63/492501663.db2.gz OHWVFFNSHNVNBH-RDJZCZTQSA-N 2 0 362.474 0.770 20 0 FCADRP CCn1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000643606727 492505510 /nfs/dbraw/zinc/50/55/10/492505510.db2.gz QOTZIJDWGDVXPP-UHFFFAOYSA-N 2 0 369.469 0.987 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000635813272 492509068 /nfs/dbraw/zinc/50/90/68/492509068.db2.gz YMIVRTQISDGNMF-OAHLLOKOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635854305 492515451 /nfs/dbraw/zinc/51/54/51/492515451.db2.gz RVPVSQINLKHHQO-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656028692 492521213 /nfs/dbraw/zinc/52/12/13/492521213.db2.gz OTGUKGLILHLKQA-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000635902400 492522192 /nfs/dbraw/zinc/52/21/92/492522192.db2.gz LVXQJRPUYNRABZ-QGZVFWFLSA-N 2 0 353.507 0.916 20 0 FCADRP C[C@H](C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635922048 492528434 /nfs/dbraw/zinc/52/84/34/492528434.db2.gz QOIKBHFGZCQJAC-IAGOWNOFSA-N 3 0 369.554 0.317 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc21 ZINC000635948331 492533478 /nfs/dbraw/zinc/53/34/78/492533478.db2.gz LJUCSFGJGNBYRH-HOTGVXAUSA-N 2 0 361.446 0.050 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC3CN(C(=O)C4(C[NH+](C)C)CC4)CC3C2)CC1 ZINC000635989414 492536331 /nfs/dbraw/zinc/53/63/31/492536331.db2.gz IZVFOTNRPRMAQR-UHFFFAOYSA-N 2 0 362.518 0.587 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346757 492541866 /nfs/dbraw/zinc/54/18/66/492541866.db2.gz ILPHAMPJIMVCDL-AWEZNQCLSA-N 2 0 374.476 0.974 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347333 492543104 /nfs/dbraw/zinc/54/31/04/492543104.db2.gz QWZQVIZALSPIJT-GJZGRUSLSA-N 2 0 360.458 0.601 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)cc2)CC1 ZINC000649350234 492543914 /nfs/dbraw/zinc/54/39/14/492543914.db2.gz SIGQVRZPQYOEEQ-QGZVFWFLSA-N 2 0 369.473 0.812 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000643782058 492557137 /nfs/dbraw/zinc/55/71/37/492557137.db2.gz XVSKABUJRLULSK-INIZCTEOSA-N 2 0 355.446 0.854 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)nn1 ZINC000643801110 492565104 /nfs/dbraw/zinc/56/51/04/492565104.db2.gz AQWMWNZDSVZCSV-RYQLBKOJSA-N 2 0 370.457 0.153 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000623635303 492576228 /nfs/dbraw/zinc/57/62/28/492576228.db2.gz CCEONANROKZEPQ-KRWDZBQOSA-N 2 0 368.522 0.994 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656299092 492577616 /nfs/dbraw/zinc/57/76/16/492577616.db2.gz XAHNSNQWMGDNES-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000656299369 492577693 /nfs/dbraw/zinc/57/76/93/492577693.db2.gz RGVHJKHMBUNZJP-DAYGRLMNSA-N 2 0 368.547 0.673 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357580 492611399 /nfs/dbraw/zinc/61/13/99/492611399.db2.gz ZMLLTTGCJXWWCG-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629579445 492656894 /nfs/dbraw/zinc/65/68/94/492656894.db2.gz NXPVRUVETIKOPY-OAHLLOKOSA-N 2 0 350.463 0.336 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629788193 492672129 /nfs/dbraw/zinc/67/21/29/492672129.db2.gz NAANAKLJLNJLDL-STQMWFEESA-N 2 0 364.412 0.526 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629793570 492674247 /nfs/dbraw/zinc/67/42/47/492674247.db2.gz FZBVCSZFLHYFCX-QWHCGFSZSA-N 2 0 364.412 0.526 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629796788 492676691 /nfs/dbraw/zinc/67/66/91/492676691.db2.gz SNBOSQKXSZABFW-YNEHKIRRSA-N 2 0 364.412 0.525 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000629807746 492682232 /nfs/dbraw/zinc/68/22/32/492682232.db2.gz DAGXDGRMVKYOKC-ZWKOTPCHSA-N 2 0 374.485 0.153 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000629812881 492684777 /nfs/dbraw/zinc/68/47/77/492684777.db2.gz UYIULUKCMLYNBG-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000629812883 492684977 /nfs/dbraw/zinc/68/49/77/492684977.db2.gz UYIULUKCMLYNBG-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629815305 492686011 /nfs/dbraw/zinc/68/60/11/492686011.db2.gz NSDWAUAITPZSDH-NJAFHUGGSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000629814276 492686138 /nfs/dbraw/zinc/68/61/38/492686138.db2.gz HFFKCWBMJDBGCV-IAGOWNOFSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)N1 ZINC000624951718 492701810 /nfs/dbraw/zinc/70/18/10/492701810.db2.gz OIRPIMZZRUJHIP-RDJZCZTQSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1-c1ccccc1 ZINC000629915980 492704722 /nfs/dbraw/zinc/70/47/22/492704722.db2.gz HVASMCQWPYWXMI-KRWDZBQOSA-N 2 0 371.485 0.908 20 0 FCADRP C[NH2+]C1(CNC(=O)c2cccc(C(=O)NCC3([NH2+]C)CCC3)n2)CCC1 ZINC000629999015 492712937 /nfs/dbraw/zinc/71/29/37/492712937.db2.gz RXFZTJFIIQUAGT-UHFFFAOYSA-N 2 0 359.474 0.825 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630889248 492781822 /nfs/dbraw/zinc/78/18/22/492781822.db2.gz KESGAUSOKABCDY-MRXNPFEDSA-N 2 0 364.494 0.117 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630926576 492785291 /nfs/dbraw/zinc/78/52/91/492785291.db2.gz YRCJSXAAYMHMCW-UHFFFAOYSA-N 2 0 364.494 0.071 20 0 FCADRP CCn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000657833540 492800438 /nfs/dbraw/zinc/80/04/38/492800438.db2.gz GXOKGXLBLNDSTA-HNNXBMFYSA-N 2 0 364.494 0.716 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000637287807 492806086 /nfs/dbraw/zinc/80/60/86/492806086.db2.gz AULMACROTKLXGT-ROUUACIJSA-N 2 0 373.501 0.900 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657874466 492808341 /nfs/dbraw/zinc/80/83/41/492808341.db2.gz VJWUHPVXDDOYBY-KRWDZBQOSA-N 2 0 359.474 0.673 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377069 492815575 /nfs/dbraw/zinc/81/55/75/492815575.db2.gz VBHITJVESZQJMI-PMPSAXMXSA-N 2 0 353.511 0.840 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375720 492815820 /nfs/dbraw/zinc/81/58/20/492815820.db2.gz QGDGQHDXHMEYGK-XHSDSOJGSA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cn1 ZINC000631416917 492817944 /nfs/dbraw/zinc/81/79/44/492817944.db2.gz HMBPVGBCYYEOPK-UHFFFAOYSA-N 2 0 358.446 0.858 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000644922565 492829540 /nfs/dbraw/zinc/82/95/40/492829540.db2.gz QRYFZQKEDRBDLR-UHFFFAOYSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000631742967 492846470 /nfs/dbraw/zinc/84/64/70/492846470.db2.gz JQNLXFMQPULYAP-IRXDYDNUSA-N 2 0 360.568 0.806 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000631759431 492847147 /nfs/dbraw/zinc/84/71/47/492847147.db2.gz ZERUGUPRQIXCCS-UHFFFAOYSA-N 2 0 355.508 0.205 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000631772301 492849869 /nfs/dbraw/zinc/84/98/69/492849869.db2.gz BQXYURCZDVLFOZ-UHFFFAOYSA-N 2 0 358.552 0.418 20 0 FCADRP CCC[NH+]1CCC(N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631794474 492854156 /nfs/dbraw/zinc/85/41/56/492854156.db2.gz PIQQUBQVYITIKK-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000637819852 492870351 /nfs/dbraw/zinc/87/03/51/492870351.db2.gz RQTVOQPUZYCZGX-ROUUACIJSA-N 2 0 358.486 0.822 20 0 FCADRP CC(C)Oc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000631897761 492872916 /nfs/dbraw/zinc/87/29/16/492872916.db2.gz NZTOLFVEZIHOBV-UHFFFAOYSA-N 2 0 358.508 0.983 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000645178560 492875199 /nfs/dbraw/zinc/87/51/99/492875199.db2.gz LGJRNHZGMNMFON-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000631943527 492894147 /nfs/dbraw/zinc/89/41/47/492894147.db2.gz YQTPHEVJAGPIRQ-DLBZAZTESA-N 2 0 358.552 0.560 20 0 FCADRP COCC1(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC[NH2+]CC1 ZINC000652218513 492895914 /nfs/dbraw/zinc/89/59/14/492895914.db2.gz NNNSRSGTQPYVRS-GVDBMIGSSA-N 2 0 368.522 0.931 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000631949542 492896083 /nfs/dbraw/zinc/89/60/83/492896083.db2.gz JFKXJDWTDCJFBA-SFHVURJKSA-N 2 0 372.579 0.665 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000638097989 492904442 /nfs/dbraw/zinc/90/44/42/492904442.db2.gz YRKFCTVVRFXKJH-IAGOWNOFSA-N 2 0 362.474 0.754 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000638112402 492909301 /nfs/dbraw/zinc/90/93/01/492909301.db2.gz LDEBRYPLTMREPH-SFHVURJKSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@H]([NH2+]C1(CNC(=O)CN2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000638117799 492910017 /nfs/dbraw/zinc/91/00/17/492910017.db2.gz XULWWSMZHBOENF-KRWDZBQOSA-N 2 0 360.502 0.908 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632032067 492915076 /nfs/dbraw/zinc/91/50/76/492915076.db2.gz SAIHUQRIFIRTNO-KRWDZBQOSA-N 2 0 360.568 0.665 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363177 492916264 /nfs/dbraw/zinc/91/62/64/492916264.db2.gz ZNTFFLUYKXQZDZ-JQHSSLGASA-N 3 0 352.523 0.948 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141423 492916644 /nfs/dbraw/zinc/91/66/44/492916644.db2.gz UHTMOJIPFZJGTQ-HKUYNNGSSA-N 3 0 361.490 0.477 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000652390335 492922585 /nfs/dbraw/zinc/92/25/85/492922585.db2.gz JKJNKJNYNYEXPJ-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000652424418 492928051 /nfs/dbraw/zinc/92/80/51/492928051.db2.gz LZNCJZFXIWBRNI-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000632122238 492934108 /nfs/dbraw/zinc/93/41/08/492934108.db2.gz PILWGIVSDMVMRW-IRXDYDNUSA-N 2 0 358.552 0.370 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3CCCO[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638343000 492938037 /nfs/dbraw/zinc/93/80/37/492938037.db2.gz JSKJAHQWONIFPX-CQSZACIVSA-N 2 0 361.446 0.493 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C2)CC1 ZINC000632144558 492938299 /nfs/dbraw/zinc/93/82/99/492938299.db2.gz GLXRXNLZGPEXMQ-SFHVURJKSA-N 2 0 372.579 0.617 20 0 FCADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638484610 492955384 /nfs/dbraw/zinc/95/53/84/492955384.db2.gz CQHSVECFHPXQSK-UHFFFAOYSA-N 2 0 363.487 0.177 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000652547508 492966858 /nfs/dbraw/zinc/96/68/58/492966858.db2.gz LJFKHISOHFJCSS-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000652612063 492971395 /nfs/dbraw/zinc/97/13/95/492971395.db2.gz GTPLIUXNUOOHGX-AWEZNQCLSA-N 2 0 350.467 0.664 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638835999 492981340 /nfs/dbraw/zinc/98/13/40/492981340.db2.gz PPMHQOKZLIDERA-AYBZRNKSSA-N 2 0 360.502 0.970 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccn3C3CC[NH2+]CC3)CC2)C1=O ZINC000638856619 492982219 /nfs/dbraw/zinc/98/22/19/492982219.db2.gz PRTQIJKALSBAML-GOSISDBHSA-N 2 0 373.501 0.838 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1=O ZINC000638856738 492982823 /nfs/dbraw/zinc/98/28/23/492982823.db2.gz SRLKOZXCVOAQTO-ZWKOTPCHSA-N 2 0 356.470 0.512 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673711 492984830 /nfs/dbraw/zinc/98/48/30/492984830.db2.gz YSQOENVWSLGNBR-WRQOLXDDSA-N 2 0 368.522 0.291 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)nn1 ZINC000638904369 492985090 /nfs/dbraw/zinc/98/50/90/492985090.db2.gz JXXJPKJTTQUBSC-MRXNPFEDSA-N 2 0 362.478 0.545 20 0 FCADRP C[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638905399 492985511 /nfs/dbraw/zinc/98/55/11/492985511.db2.gz OLHWJCBTKGNXSI-KSSFIOAISA-N 2 0 354.458 0.957 20 0 FCADRP O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987110 492990518 /nfs/dbraw/zinc/99/05/18/492990518.db2.gz LJMAUIVDWBQASN-HUUCEWRRSA-N 2 0 371.441 0.605 20 0 FCADRP Cn1c2ccccc2n(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1=O ZINC000638987405 492990718 /nfs/dbraw/zinc/99/07/18/492990718.db2.gz HVIMDTWXKAWGGN-UHFFFAOYSA-N 2 0 366.425 0.783 20 0 FCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009585 493001154 /nfs/dbraw/zinc/00/11/54/493001154.db2.gz VOFCQQQCXGEVNE-HQSKLWIPSA-N 2 0 350.507 0.430 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724597 493004174 /nfs/dbraw/zinc/00/41/74/493004174.db2.gz GZANOZDYVCWSIR-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000646069190 493009511 /nfs/dbraw/zinc/00/95/11/493009511.db2.gz VEXFOGBAZUMTKK-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652733949 493011057 /nfs/dbraw/zinc/01/10/57/493011057.db2.gz VDPAMBOAJIFWIF-VVLHAWIVSA-N 2 0 366.506 0.284 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000652737326 493013289 /nfs/dbraw/zinc/01/32/89/493013289.db2.gz GOKWDQCGIIRHNQ-MRXNPFEDSA-N 2 0 366.506 0.145 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000652737935 493014093 /nfs/dbraw/zinc/01/40/93/493014093.db2.gz ZSAKFAJZFAQOCA-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000652737936 493014278 /nfs/dbraw/zinc/01/42/78/493014278.db2.gz ZSAKFAJZFAQOCA-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@H]2C1 ZINC000626811426 493025132 /nfs/dbraw/zinc/02/51/32/493025132.db2.gz DKYDJRPQVXGXKP-BBRMVZONSA-N 2 0 358.442 0.660 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000626845762 493032923 /nfs/dbraw/zinc/03/29/23/493032923.db2.gz HSXBTHFMDBGFIQ-GOSISDBHSA-N 2 0 374.485 0.914 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000626853372 493037454 /nfs/dbraw/zinc/03/74/54/493037454.db2.gz XRHDEDKJSWYRTF-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000626854681 493038568 /nfs/dbraw/zinc/03/85/68/493038568.db2.gz VJRFWPSHXRZNFD-UHFFFAOYSA-N 2 0 350.488 0.981 20 0 FCADRP CN(CCOCC[NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000626968581 493071167 /nfs/dbraw/zinc/07/11/67/493071167.db2.gz SMKDUKBLWDKECO-GOSISDBHSA-N 2 0 363.506 0.592 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626971966 493071880 /nfs/dbraw/zinc/07/18/80/493071880.db2.gz CUNBMSXETSKIQY-MCIONIFRSA-N 2 0 365.444 0.791 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000653124902 493076119 /nfs/dbraw/zinc/07/61/19/493076119.db2.gz LQMOBOITIMLCST-GOSISDBHSA-N 2 0 363.506 0.530 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)C1 ZINC000653181309 493081652 /nfs/dbraw/zinc/08/16/52/493081652.db2.gz DOPIYMAKHFFEGS-WCVJEAGWSA-N 2 0 352.479 0.071 20 0 FCADRP CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000627187540 493104519 /nfs/dbraw/zinc/10/45/19/493104519.db2.gz GSSTYAISFPUOQU-INIZCTEOSA-N 2 0 353.511 0.175 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000627251318 493117136 /nfs/dbraw/zinc/11/71/36/493117136.db2.gz GFEQADRYCZEVBC-MOPGFXCFSA-N 2 0 357.502 0.950 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000633080204 493117731 /nfs/dbraw/zinc/11/77/31/493117731.db2.gz BBOYEEPLUKIRRT-BZSNNMDCSA-N 2 0 356.470 0.682 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633097283 493123038 /nfs/dbraw/zinc/12/30/38/493123038.db2.gz PMFLPKJAIXNSKA-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633100016 493125344 /nfs/dbraw/zinc/12/53/44/493125344.db2.gz DVMWQOFESNXNOG-HOTGVXAUSA-N 2 0 360.458 0.158 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000627290072 493135901 /nfs/dbraw/zinc/13/59/01/493135901.db2.gz DFGBKFXZKHAPHJ-UONOGXRCSA-N 2 0 352.504 0.923 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000627289991 493135999 /nfs/dbraw/zinc/13/59/99/493135999.db2.gz ANLHULQDRAKKII-AWEZNQCLSA-N 2 0 366.462 0.230 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000627291968 493136465 /nfs/dbraw/zinc/13/64/65/493136465.db2.gz JEQDUDUDAKONOD-CQSZACIVSA-N 2 0 368.503 0.435 20 0 FCADRP CC[NH+]1CCC(NC(=O)Cn2cc(COc3ccccc3C[NH3+])nn2)CC1 ZINC000640867188 493139371 /nfs/dbraw/zinc/13/93/71/493139371.db2.gz PAUOSLBHEUTHNY-UHFFFAOYSA-N 2 0 372.473 0.916 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C)C1 ZINC000646988967 493141755 /nfs/dbraw/zinc/14/17/55/493141755.db2.gz YNFGTIHPEDYTRX-YOEHRIQHSA-N 2 0 356.536 0.483 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312502 493146291 /nfs/dbraw/zinc/14/62/91/493146291.db2.gz ZXJLPHVXCKVTOD-HYVNUMGLSA-N 2 0 360.458 0.043 20 0 FCADRP CCCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647040891 493151940 /nfs/dbraw/zinc/15/19/40/493151940.db2.gz AOTKDDJVNUSWJZ-INIZCTEOSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000640955519 493153178 /nfs/dbraw/zinc/15/31/78/493153178.db2.gz JIJIHMYECDKFKJ-MSOLQXFVSA-N 2 0 367.538 0.565 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000627325299 493153883 /nfs/dbraw/zinc/15/38/83/493153883.db2.gz DZTJEMHPBHGBPD-UHFFFAOYSA-N 2 0 352.504 0.884 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627335015 493158976 /nfs/dbraw/zinc/15/89/76/493158976.db2.gz ILMZBYDPHNEGIB-NVXWUHKLSA-N 2 0 362.474 0.118 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091758 493161419 /nfs/dbraw/zinc/16/14/19/493161419.db2.gz HKOIBAAYYZEUQQ-RCCFBDPRSA-N 2 0 371.485 0.303 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647092067 493162343 /nfs/dbraw/zinc/16/23/43/493162343.db2.gz XTAZZPRVZPPYFS-ZACQAIPSSA-N 2 0 357.458 0.433 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659427992 493173861 /nfs/dbraw/zinc/17/38/61/493173861.db2.gz VPTXAOQOBJMKIB-CQSZACIVSA-N 2 0 356.430 0.715 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000627358089 493175139 /nfs/dbraw/zinc/17/51/39/493175139.db2.gz ACYLYVFLDAEXAL-KRWDZBQOSA-N 2 0 362.474 0.373 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000659432518 493175888 /nfs/dbraw/zinc/17/58/88/493175888.db2.gz ASUAAHXVFKVULD-UHFFFAOYSA-N 2 0 374.445 0.581 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641214633 493180969 /nfs/dbraw/zinc/18/09/69/493180969.db2.gz GBPGLGPNDSYKBK-IBGZPJMESA-N 2 0 358.490 0.518 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000627368539 493182796 /nfs/dbraw/zinc/18/27/96/493182796.db2.gz XHUKAWUNKXHERU-UMVBOHGHSA-N 2 0 350.488 0.725 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659454179 493183590 /nfs/dbraw/zinc/18/35/90/493183590.db2.gz YHUGENAQEUOFES-KZNAEPCWSA-N 2 0 363.481 0.816 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000627372323 493184289 /nfs/dbraw/zinc/18/42/89/493184289.db2.gz JYVBAYWFKRJVEZ-NQBHXWOUSA-N 2 0 364.412 0.571 20 0 FCADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@H+](C)C3CC3)nn2)c1 ZINC000641222883 493184360 /nfs/dbraw/zinc/18/43/60/493184360.db2.gz OHJQPFBPVRKSHK-MRXNPFEDSA-N 2 0 358.446 0.558 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)c(C)c2)CC1 ZINC000659291744 493184721 /nfs/dbraw/zinc/18/47/21/493184721.db2.gz QPDXTNRFKQGMKU-UHFFFAOYSA-N 2 0 357.462 0.939 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1C ZINC000659299570 493187093 /nfs/dbraw/zinc/18/70/93/493187093.db2.gz HRFBWCRUHVDLGB-GVDBMIGSSA-N 2 0 357.458 0.856 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627379300 493187611 /nfs/dbraw/zinc/18/76/11/493187611.db2.gz IDECJSAUNRWBPC-BPQIPLTHSA-N 2 0 374.485 0.260 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627379303 493187676 /nfs/dbraw/zinc/18/76/76/493187676.db2.gz IDECJSAUNRWBPC-NXHRZFHOSA-N 2 0 374.485 0.260 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659470733 493188967 /nfs/dbraw/zinc/18/89/67/493188967.db2.gz IKVYAHUYMDKLAH-CYBMUJFWSA-N 2 0 350.467 0.808 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000659318768 493190401 /nfs/dbraw/zinc/19/04/01/493190401.db2.gz YIIOWVCOFYTDEV-OAHLLOKOSA-N 2 0 364.494 0.068 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000672593304 493211622 /nfs/dbraw/zinc/21/16/22/493211622.db2.gz JIDFRFKGLPFVNK-WMLDXEAASA-N 2 0 364.465 0.973 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659576417 493215986 /nfs/dbraw/zinc/21/59/86/493215986.db2.gz HRESZPMMERKJFN-GUDVDZBRSA-N 2 0 357.502 0.821 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000659627463 493223041 /nfs/dbraw/zinc/22/30/41/493223041.db2.gz VEHMWZLOVJLWPO-ZBFHGGJFSA-N 2 0 351.495 0.370 20 0 FCADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659630560 493224442 /nfs/dbraw/zinc/22/44/42/493224442.db2.gz QVBMSGSJJVBFTN-UHFFFAOYSA-N 2 0 356.430 0.667 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659631163 493225441 /nfs/dbraw/zinc/22/54/41/493225441.db2.gz ANRYZIHGZHYSNR-AWEZNQCLSA-N 2 0 366.466 0.283 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)o1 ZINC000659633316 493226050 /nfs/dbraw/zinc/22/60/50/493226050.db2.gz RQNJHGSTRUNOED-UHFFFAOYSA-N 2 0 362.434 0.816 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@@H]2C1 ZINC000666961373 493242436 /nfs/dbraw/zinc/24/24/36/493242436.db2.gz MPCHEMPHPFJUGW-BLLLJJGKSA-N 2 0 360.433 0.963 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000666972351 493242919 /nfs/dbraw/zinc/24/29/19/493242919.db2.gz XKSQVZQTGDCZIY-KURKYZTESA-N 2 0 366.506 0.480 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000666972350 493243418 /nfs/dbraw/zinc/24/34/18/493243418.db2.gz XKSQVZQTGDCZIY-FGTMMUONSA-N 2 0 366.506 0.480 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000659678987 493246949 /nfs/dbraw/zinc/24/69/49/493246949.db2.gz BJWIOADIYXQHRP-HZPDHXFCSA-N 2 0 366.506 0.258 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659679608 493248073 /nfs/dbraw/zinc/24/80/73/493248073.db2.gz MARZZUGGCLKTGV-IWCQGFGOSA-N 2 0 366.506 0.066 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000659694496 493257838 /nfs/dbraw/zinc/25/78/38/493257838.db2.gz LPLZXVQXVOCHSY-OAGGEKHMSA-N 2 0 356.486 0.757 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000659700173 493261587 /nfs/dbraw/zinc/26/15/87/493261587.db2.gz CRLIZGDJOILEDY-GZBFAFLISA-N 2 0 352.504 0.971 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659708310 493266030 /nfs/dbraw/zinc/26/60/30/493266030.db2.gz PXMWQTAMWABSFI-CABCVRRESA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000641651570 493270930 /nfs/dbraw/zinc/27/09/30/493270930.db2.gz FKXRYFQLIBWAAQ-UONOGXRCSA-N 2 0 365.444 0.995 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659726906 493274687 /nfs/dbraw/zinc/27/46/87/493274687.db2.gz COMKPAWNYREGOK-SFHVURJKSA-N 2 0 373.501 0.620 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1[NH3+] ZINC000659729128 493276271 /nfs/dbraw/zinc/27/62/71/493276271.db2.gz NIEDOGLHOSRERG-RHSMWYFYSA-N 2 0 359.474 0.215 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672984825 493276525 /nfs/dbraw/zinc/27/65/25/493276525.db2.gz LTMZRNIYSDHUOH-UHFFFAOYSA-N 2 0 355.527 0.111 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000659734736 493278703 /nfs/dbraw/zinc/27/87/03/493278703.db2.gz BRKQLNDRFUSVMR-HOCLYGCPSA-N 2 0 352.479 0.086 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659738028 493279815 /nfs/dbraw/zinc/27/98/15/493279815.db2.gz YARHFAGVVKMMAY-LZWOXQAQSA-N 2 0 352.479 0.084 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659738446 493279863 /nfs/dbraw/zinc/27/98/63/493279863.db2.gz DUMYRVYEOXLAGP-LUKYLMHMSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000667399662 493282563 /nfs/dbraw/zinc/28/25/63/493282563.db2.gz JZRHHOMFHDKQDZ-YJBOKZPZSA-N 2 0 374.485 0.838 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000667536580 493288962 /nfs/dbraw/zinc/28/89/62/493288962.db2.gz CZIHBKDIWCMPLU-YOEHRIQHSA-N 2 0 360.458 0.776 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673120039 493292472 /nfs/dbraw/zinc/29/24/72/493292472.db2.gz XZFYBWHFBWWYOC-HOCLYGCPSA-N 2 0 362.478 0.468 20 0 FCADRP CCC[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)S(N)(=O)=O ZINC000667812306 493303072 /nfs/dbraw/zinc/30/30/72/493303072.db2.gz JFJWZLMGCQEAGE-HUUCEWRRSA-N 2 0 362.540 0.318 20 0 FCADRP CN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000682613286 493313829 /nfs/dbraw/zinc/31/38/29/493313829.db2.gz HLHFEOYPRKBWNT-QGZVFWFLSA-N 2 0 355.527 0.375 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000660075160 493321838 /nfs/dbraw/zinc/32/18/38/493321838.db2.gz XACDSZGUJKXGTB-OTWHNJEPSA-N 2 0 358.571 0.395 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538066 493372851 /nfs/dbraw/zinc/37/28/51/493372851.db2.gz SHWUJDKNAUPNJX-MRXNPFEDSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCOCC1 ZINC000660710290 493374799 /nfs/dbraw/zinc/37/47/99/493374799.db2.gz MCMNNMBBAIUPRB-MRXNPFEDSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1C1CC1 ZINC000683870197 493375910 /nfs/dbraw/zinc/37/59/10/493375910.db2.gz DUODDMBHRSQBBA-UONOGXRCSA-N 2 0 374.489 0.830 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1C1CC1 ZINC000683870198 493375925 /nfs/dbraw/zinc/37/59/25/493375925.db2.gz DUODDMBHRSQBBA-ZIAGYGMSSA-N 2 0 374.489 0.830 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668624932 493386154 /nfs/dbraw/zinc/38/61/54/493386154.db2.gz CXZUQGZGYWKPML-HOCLYGCPSA-N 2 0 354.495 0.202 20 0 FCADRP COc1cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(OC)c1O ZINC000684047439 493390137 /nfs/dbraw/zinc/39/01/37/493390137.db2.gz CAZQAEUQIBZYHV-UHFFFAOYSA-N 2 0 353.463 0.904 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036559 493403984 /nfs/dbraw/zinc/40/39/84/493403984.db2.gz JZXWIHTYISDKMN-AEFFLSMTSA-N 2 0 367.538 0.565 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668751532 493405173 /nfs/dbraw/zinc/40/51/73/493405173.db2.gz WOUNRMVGBIXLPC-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674329336 493408779 /nfs/dbraw/zinc/40/87/79/493408779.db2.gz VEOPQOBIGXTUTB-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000668893143 493430639 /nfs/dbraw/zinc/43/06/39/493430639.db2.gz MXUWFYXJAVRRCG-YOEHRIQHSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668934578 493440027 /nfs/dbraw/zinc/44/00/27/493440027.db2.gz PHSLLGGLJNJBDL-RDJZCZTQSA-N 2 0 366.506 0.347 20 0 FCADRP O=C1CC[C@@H]2C[N@H+](C/C=C\C[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595788 493450105 /nfs/dbraw/zinc/45/01/05/493450105.db2.gz DYIFSUMIIDYSHG-ZUGRZTGBSA-N 2 0 360.502 0.744 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000685310745 493474437 /nfs/dbraw/zinc/47/44/37/493474437.db2.gz IETOVUPLGULMDG-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252448 493483349 /nfs/dbraw/zinc/48/33/49/493483349.db2.gz LMJXWXBMGUSFEE-HZPDHXFCSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252446 493483697 /nfs/dbraw/zinc/48/36/97/493483697.db2.gz LMJXWXBMGUSFEE-CVEARBPZSA-N 2 0 368.522 0.593 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000685520001 493500863 /nfs/dbraw/zinc/50/08/63/493500863.db2.gz BNBJIQSRSZYMHI-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000669426358 493502959 /nfs/dbraw/zinc/50/29/59/493502959.db2.gz WKJZNWYFYMBYNV-YOEHRIQHSA-N 2 0 350.463 0.885 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000669452559 493504337 /nfs/dbraw/zinc/50/43/37/493504337.db2.gz SHYDDODJHSZYEL-WMZOPIPTSA-N 2 0 373.501 0.871 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000669486292 493506667 /nfs/dbraw/zinc/50/66/67/493506667.db2.gz SXALZXAHDGFCPU-QZWWFDLISA-N 2 0 356.511 0.881 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486516 493506711 /nfs/dbraw/zinc/50/67/11/493506711.db2.gz TYASLZMHXLQTML-ROUUACIJSA-N 2 0 367.538 0.600 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483644 493506909 /nfs/dbraw/zinc/50/69/09/493506909.db2.gz GCCKAAMCKYDXSH-SFHVURJKSA-N 2 0 373.501 0.945 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486514 493506940 /nfs/dbraw/zinc/50/69/40/493506940.db2.gz TYASLZMHXLQTML-MSOLQXFVSA-N 2 0 367.538 0.600 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491350 493507758 /nfs/dbraw/zinc/50/77/58/493507758.db2.gz WGOGLINCBAKEGJ-SJORKVTESA-N 2 0 363.506 0.324 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)c1cccc(Cl)c1 ZINC000669513942 493508221 /nfs/dbraw/zinc/50/82/21/493508221.db2.gz DTKZPLBMCUHZCE-GDBMZVCRSA-N 2 0 350.850 0.763 20 0 FCADRP C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000669509318 493508243 /nfs/dbraw/zinc/50/82/43/493508243.db2.gz GLNUWEGIHBTYFY-BRWVUGGUSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000669509320 493508359 /nfs/dbraw/zinc/50/83/59/493508359.db2.gz GLNUWEGIHBTYFY-IXDOHACOSA-N 2 0 350.507 0.683 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000669509397 493508402 /nfs/dbraw/zinc/50/84/02/493508402.db2.gz YKOLCZDZQVTHMR-QGZVFWFLSA-N 2 0 356.470 0.153 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000669529897 493509010 /nfs/dbraw/zinc/50/90/10/493509010.db2.gz ICEVRWZIUILBCE-HZPDHXFCSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cnnn3C3CC[NH2+]CC3)nc2)CC1 ZINC000662388336 493511866 /nfs/dbraw/zinc/51/18/66/493511866.db2.gz NDEKHIOQJYIDHJ-UHFFFAOYSA-N 2 0 370.461 0.602 20 0 FCADRP CC(C)([NH3+])c1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)on1 ZINC000662403996 493513203 /nfs/dbraw/zinc/51/32/03/493513203.db2.gz ZTEWROCOYDUNIN-UHFFFAOYSA-N 2 0 367.431 0.358 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000676001468 493517860 /nfs/dbraw/zinc/51/78/60/493517860.db2.gz KIBVWBZSQAWTOH-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662559948 493526026 /nfs/dbraw/zinc/52/60/26/493526026.db2.gz CGYCUKHNRKIINV-CYBMUJFWSA-N 2 0 350.488 0.854 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000676166728 493528602 /nfs/dbraw/zinc/52/86/02/493528602.db2.gz DKLNSNRPTWCNPB-QZTJIDSGSA-N 2 0 368.522 0.774 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717603 493534173 /nfs/dbraw/zinc/53/41/73/493534173.db2.gz PVSCSVCSUUJTEV-KURKYZTESA-N 2 0 374.485 0.364 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757711 493539062 /nfs/dbraw/zinc/53/90/62/493539062.db2.gz LRHNOMNDGGXYLU-HZPDHXFCSA-N 2 0 363.510 0.349 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662787300 493542165 /nfs/dbraw/zinc/54/21/65/493542165.db2.gz MGNJTDCPEILMPE-OAHLLOKOSA-N 2 0 350.467 0.387 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842584 493546012 /nfs/dbraw/zinc/54/60/12/493546012.db2.gz PXKJTLNPXMHKNQ-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000662866170 493548326 /nfs/dbraw/zinc/54/83/26/493548326.db2.gz HMKNHJZLUVHIGT-ULQDDVLXSA-N 2 0 362.449 0.646 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000662867070 493548378 /nfs/dbraw/zinc/54/83/78/493548378.db2.gz RYNOQBHJTJLIQS-INMHGKMJSA-N 2 0 350.438 0.487 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1=O ZINC000662868065 493548413 /nfs/dbraw/zinc/54/84/13/493548413.db2.gz SPVNZKDJOWDAHZ-KZNAEPCWSA-N 2 0 358.486 0.658 20 0 FCADRP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899111 493550135 /nfs/dbraw/zinc/55/01/35/493550135.db2.gz BKEZIXLFTFDJMY-GOSISDBHSA-N 2 0 374.533 0.589 20 0 FCADRP Cn1nc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc21 ZINC000676418826 493550927 /nfs/dbraw/zinc/55/09/27/493550927.db2.gz PHEIWAZHJDLWHC-OAHLLOKOSA-N 2 0 357.458 0.596 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000662953551 493560085 /nfs/dbraw/zinc/56/00/85/493560085.db2.gz KHAKSASESKBNSK-ROUUACIJSA-N 2 0 358.486 0.569 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662954223 493560541 /nfs/dbraw/zinc/56/05/41/493560541.db2.gz SXMVTPAQIGVTBY-WDSOQIARSA-N 2 0 372.513 0.958 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000662985719 493564525 /nfs/dbraw/zinc/56/45/25/493564525.db2.gz ZDXJWFUVNZCNBJ-CABCVRRESA-N 2 0 354.495 0.141 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCCC1 ZINC000670509456 493576129 /nfs/dbraw/zinc/57/61/29/493576129.db2.gz BYJVOVXMTBPOKM-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000670671328 493587574 /nfs/dbraw/zinc/58/75/74/493587574.db2.gz OQQNFKQCWDSFIQ-IXDOHACOSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@H](C)C2)CC1=O ZINC000677175779 493588100 /nfs/dbraw/zinc/58/81/00/493588100.db2.gz JODGYIXRTRZYIL-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@@H](C)C2)CC1=O ZINC000677175778 493588140 /nfs/dbraw/zinc/58/81/40/493588140.db2.gz JODGYIXRTRZYIL-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CCOc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)nn1 ZINC000663506675 493593272 /nfs/dbraw/zinc/59/32/72/493593272.db2.gz NNJDETCYXYEGGB-OAHLLOKOSA-N 2 0 362.478 0.195 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000670983748 493619869 /nfs/dbraw/zinc/61/98/69/493619869.db2.gz JJZIWPNCCCHHNQ-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000670983749 493619994 /nfs/dbraw/zinc/61/99/94/493619994.db2.gz JJZIWPNCCCHHNQ-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663892664 493623751 /nfs/dbraw/zinc/62/37/51/493623751.db2.gz LKIIXYNRXLQNQN-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP CN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000664002543 493629669 /nfs/dbraw/zinc/62/96/69/493629669.db2.gz KQEGJVQLUKAIEL-BZUAXINKSA-N 2 0 352.479 0.260 20 0 FCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000671091735 493632106 /nfs/dbraw/zinc/63/21/06/493632106.db2.gz QCSRGDDUNRCPDT-AWEZNQCLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103792 493634314 /nfs/dbraw/zinc/63/43/14/493634314.db2.gz IYVMTPAHELBXIW-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671104239 493634428 /nfs/dbraw/zinc/63/44/28/493634428.db2.gz SSZVMCOKIMJPPA-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104484 493634962 /nfs/dbraw/zinc/63/49/62/493634962.db2.gz JBMYGUXHPAQKTM-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671108381 493636700 /nfs/dbraw/zinc/63/67/00/493636700.db2.gz XTPUUIWRUAQBTC-YYIAUSFCSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181564 493642447 /nfs/dbraw/zinc/64/24/47/493642447.db2.gz KNTIRTRQWRIYRN-KBPBESRZSA-N 2 0 353.467 0.500 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000671373612 493661829 /nfs/dbraw/zinc/66/18/29/493661829.db2.gz MAFPDGFCIDHBQD-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000671404255 493666375 /nfs/dbraw/zinc/66/63/75/493666375.db2.gz CYKIYWBQDVTJDK-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCCCC1 ZINC000664643748 493675172 /nfs/dbraw/zinc/67/51/72/493675172.db2.gz XAJOSLQUKAZDQL-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665054624 493697258 /nfs/dbraw/zinc/69/72/58/493697258.db2.gz BMBSLQHVBAMHSW-UHFFFAOYSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000680011373 493705245 /nfs/dbraw/zinc/70/52/45/493705245.db2.gz YQJNYAHNSFBXJI-MRXNPFEDSA-N 2 0 352.523 0.630 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271270 493707987 /nfs/dbraw/zinc/70/79/87/493707987.db2.gz KNGSOEKUZSDMIA-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872630 493709692 /nfs/dbraw/zinc/70/96/92/493709692.db2.gz AHZQOHKUOGJKEM-WBVHZDCISA-N 2 0 350.507 0.824 20 0 FCADRP CO[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000680224001 493710796 /nfs/dbraw/zinc/71/07/96/493710796.db2.gz UAUCMISZRSFSFW-PHZGNYQRSA-N 2 0 354.495 0.202 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000672003596 493723420 /nfs/dbraw/zinc/72/34/20/493723420.db2.gz HJTWNDYJJNDGJS-UHFFFAOYSA-N 2 0 368.503 0.087 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000672010707 493723984 /nfs/dbraw/zinc/72/39/84/493723984.db2.gz OQYNHKVJDJZZPI-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000672008783 493724218 /nfs/dbraw/zinc/72/42/18/493724218.db2.gz WAZGZWVATHFAAW-HNNXBMFYSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010757 493724326 /nfs/dbraw/zinc/72/43/26/493724326.db2.gz DUVCRZDLJOIKTQ-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010755 493724350 /nfs/dbraw/zinc/72/43/50/493724350.db2.gz DUVCRZDLJOIKTQ-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C1CC[NH+](C)CC1 ZINC000672012780 493724729 /nfs/dbraw/zinc/72/47/29/493724729.db2.gz WJDOJSJBINTSRD-XIRDDKMYSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304045 493752306 /nfs/dbraw/zinc/75/23/06/493752306.db2.gz FXTGUIHMWUGUQB-SJORKVTESA-N 2 0 350.507 0.681 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308021 493753527 /nfs/dbraw/zinc/75/35/27/493753527.db2.gz WLMCRBSSFMLWSP-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411534948 533729115 /nfs/dbraw/zinc/72/91/15/533729115.db2.gz PEJFBLPDXQIMTD-LBPRGKRZSA-N 2 0 354.426 0.771 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000410483022 528139523 /nfs/dbraw/zinc/13/95/23/528139523.db2.gz CLPDTTYYRJOTPH-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000410434814 528282123 /nfs/dbraw/zinc/28/21/23/528282123.db2.gz PELGPIXWXIELDY-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)C[C@H](C(N)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000411789472 528445950 /nfs/dbraw/zinc/44/59/50/528445950.db2.gz OEYOWDSLXUOZMO-QGZVFWFLSA-N 2 0 361.490 0.858 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000412479626 528991809 /nfs/dbraw/zinc/99/18/09/528991809.db2.gz RQYSHOLZRBGFPJ-QGZVFWFLSA-N 2 0 352.523 0.774 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782093 529070944 /nfs/dbraw/zinc/07/09/44/529070944.db2.gz KWKNUWWHUKSMAA-OAHLLOKOSA-N 2 0 374.493 0.682 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419535003 536542644 /nfs/dbraw/zinc/54/26/44/536542644.db2.gz KPNMAQJCQBSDDK-KRWDZBQOSA-N 2 0 368.522 0.627 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419695578 535072230 /nfs/dbraw/zinc/07/22/30/535072230.db2.gz LAHDWQDVRZPFFK-HZPDHXFCSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419688440 535072531 /nfs/dbraw/zinc/07/25/31/535072531.db2.gz AQAJMHNFOVLMLV-BRWVUGGUSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419130128 535075514 /nfs/dbraw/zinc/07/55/14/535075514.db2.gz AQMCLELXEUIHSR-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419153716 535075541 /nfs/dbraw/zinc/07/55/41/535075541.db2.gz PGAVKNGOWKPWHR-KRWDZBQOSA-N 2 0 350.507 0.897 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419591400 535478789 /nfs/dbraw/zinc/47/87/89/535478789.db2.gz QZDXXDHCJZLHBI-FGTMMUONSA-N 2 0 358.486 0.930 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000415179732 535479711 /nfs/dbraw/zinc/47/97/11/535479711.db2.gz DULWJSNSIYMQEN-OAHLLOKOSA-N 2 0 362.474 0.650 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000423521338 535542607 /nfs/dbraw/zinc/54/26/07/535542607.db2.gz LAAOAKDBNNTVCD-ZBFHGGJFSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000423590326 535542637 /nfs/dbraw/zinc/54/26/37/535542637.db2.gz IDMFSDHBKPWZDE-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1=O ZINC000424029251 535553801 /nfs/dbraw/zinc/55/38/01/535553801.db2.gz ZEBNRHBLFGOCCY-YLFCFFPRSA-N 2 0 350.507 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419945038 535597589 /nfs/dbraw/zinc/59/75/89/535597589.db2.gz BWPMGHCGVNXXCN-WBVHZDCISA-N 2 0 361.490 0.606 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000419369530 535669410 /nfs/dbraw/zinc/66/94/10/535669410.db2.gz HUUKZFOTIADYBR-HUUCEWRRSA-N 2 0 368.503 0.352 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419829365 535710457 /nfs/dbraw/zinc/71/04/57/535710457.db2.gz PRSODWHDZVFDMY-WBVHZDCISA-N 2 0 367.538 0.010 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1 ZINC000419656805 535839705 /nfs/dbraw/zinc/83/97/05/535839705.db2.gz IXVNAMLKJNHASJ-UHFFFAOYSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000419650911 535839715 /nfs/dbraw/zinc/83/97/15/535839715.db2.gz CZVZTKJFTXLVDH-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423368784 535867005 /nfs/dbraw/zinc/86/70/05/535867005.db2.gz NNZDOQLCYWSEPJ-BHYGNILZSA-N 2 0 362.474 0.756 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423361998 535868956 /nfs/dbraw/zinc/86/89/56/535868956.db2.gz HMGJSAIWJCXVLM-CABCVRRESA-N 2 0 364.515 0.706 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419773074 535895031 /nfs/dbraw/zinc/89/50/31/535895031.db2.gz IPLJRQJGWYHMCE-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586175 536140395 /nfs/dbraw/zinc/14/03/95/536140395.db2.gz NXELNYQTAWUWAP-DYVFJYSZSA-N 2 0 356.536 0.434 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCSC1 ZINC000414919217 536141698 /nfs/dbraw/zinc/14/16/98/536141698.db2.gz UJLLEEKSTXJCLI-SFHVURJKSA-N 2 0 362.499 0.824 20 0 FCADRP C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442773665 536303718 /nfs/dbraw/zinc/30/37/18/536303718.db2.gz XRIZAFFJRMFOHU-SJPCQFCGSA-N 2 0 358.490 0.730 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442601524 536347703 /nfs/dbraw/zinc/34/77/03/536347703.db2.gz RJXXXAWISOCGIW-UHFFFAOYSA-N 2 0 368.570 0.291 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480754 536368251 /nfs/dbraw/zinc/36/82/51/536368251.db2.gz PQZFIMOOQCLKQY-FGTMMUONSA-N 2 0 356.470 0.397 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000419400134 536369030 /nfs/dbraw/zinc/36/90/30/536369030.db2.gz LHVHMLIVEZLFAI-CGTJXYLNSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418967838 536417044 /nfs/dbraw/zinc/41/70/44/536417044.db2.gz SQIJRMHVSPLTFX-KRWDZBQOSA-N 2 0 374.485 0.598 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000414877666 536469477 /nfs/dbraw/zinc/46/94/77/536469477.db2.gz MKAFIXJJEAEJBY-UHFFFAOYSA-N 2 0 374.485 0.915 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419771519 536481194 /nfs/dbraw/zinc/48/11/94/536481194.db2.gz XSOHOMBHNVKKCX-ROUUACIJSA-N 2 0 358.486 0.867 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419786856 536481549 /nfs/dbraw/zinc/48/15/49/536481549.db2.gz ZJDDBOYCOHPHIU-MSOLQXFVSA-N 2 0 358.486 0.881 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423721122 536776100 /nfs/dbraw/zinc/77/61/00/536776100.db2.gz ONZCZOVUTCHGAP-OAHLLOKOSA-N 2 0 356.511 0.389 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735992 546747603 /nfs/dbraw/zinc/74/76/03/546747603.db2.gz CYBZKCMWBKCECH-UTUOFQBUSA-N 2 0 366.384 0.593 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736267 546747666 /nfs/dbraw/zinc/74/76/66/546747666.db2.gz KWUFSMJDZJFEBM-IIAWOOMASA-N 2 0 352.479 0.973 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715689 546928627 /nfs/dbraw/zinc/92/86/27/546928627.db2.gz JXMPXUTUCIJIRF-SJORKVTESA-N 2 0 356.511 0.633 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000550097052 547077786 /nfs/dbraw/zinc/07/77/86/547077786.db2.gz RZJTYIHJAQVXQY-CVEARBPZSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784064 547105153 /nfs/dbraw/zinc/10/51/53/547105153.db2.gz COVHWFVMADGHHH-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550900122 547113342 /nfs/dbraw/zinc/11/33/42/547113342.db2.gz KCYNDDKEGCCSRU-CQSZACIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550902977 547113444 /nfs/dbraw/zinc/11/34/44/547113444.db2.gz XDJUWZOAJPBUQV-HUUCEWRRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903874 547114027 /nfs/dbraw/zinc/11/40/27/547114027.db2.gz LARHLENHJVOUFE-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551214907 547134145 /nfs/dbraw/zinc/13/41/45/547134145.db2.gz IPIUEMVUZSDVSS-WMLDXEAASA-N 2 0 356.536 0.531 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551216967 547135901 /nfs/dbraw/zinc/13/59/01/547135901.db2.gz GNWMGBYSOHQLKL-CRAIPNDOSA-N 2 0 370.563 0.873 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176148 547193222 /nfs/dbraw/zinc/19/32/22/547193222.db2.gz YNFYCNRBDKREOA-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000552856635 547235715 /nfs/dbraw/zinc/23/57/15/547235715.db2.gz NHCUWCKDBGFVEE-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@H](C)C1 ZINC000553264220 547263660 /nfs/dbraw/zinc/26/36/60/547263660.db2.gz IBLNTGZENHDOGD-OAHLLOKOSA-N 2 0 367.519 0.548 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000141475282 568295617 /nfs/dbraw/zinc/29/56/17/568295617.db2.gz NNUPQKFPAQIOLV-IAGOWNOFSA-N 2 0 363.506 0.419 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+](C[C@@H](C)O)CCO3)CC[N@@H+]1C ZINC000949370321 674403037 /nfs/dbraw/zinc/40/30/37/674403037.db2.gz PHHCOOIDNBVYKX-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000738450327 598523606 /nfs/dbraw/zinc/52/36/06/598523606.db2.gz SYIXPLRBQSJSQD-ZDUSSCGKSA-N 2 0 357.466 0.569 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736767094 598701826 /nfs/dbraw/zinc/70/18/26/598701826.db2.gz LEJHNOIIRYQLCB-UHFFFAOYSA-N 2 0 361.450 0.197 20 0 FCADRP COc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000821808348 599401420 /nfs/dbraw/zinc/40/14/20/599401420.db2.gz FFAKYGCGKBXAAY-UHFFFAOYSA-N 2 0 359.478 0.991 20 0 FCADRP COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1-c1nn[nH]n1 ZINC000821805900 599401712 /nfs/dbraw/zinc/40/17/12/599401712.db2.gz XNDRRPSEZNDTDH-UHFFFAOYSA-N 2 0 359.478 0.991 20 0 FCADRP CC[NH+]1CCC(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000821242493 599448733 /nfs/dbraw/zinc/44/87/33/599448733.db2.gz TVXNFXJGDDWPJZ-CQSZACIVSA-N 2 0 359.482 0.817 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736568905 599485069 /nfs/dbraw/zinc/48/50/69/599485069.db2.gz FNHAKZFRGSUUJP-AWEZNQCLSA-N 2 0 369.477 0.630 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408570 674496557 /nfs/dbraw/zinc/49/65/57/674496557.db2.gz FZEXUOPBRBSFFE-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954411793 674496859 /nfs/dbraw/zinc/49/68/59/674496859.db2.gz WHCCQJGZELRFAR-OIISXLGYSA-N 2 0 350.507 0.869 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC[N@@H+]1C ZINC000954413345 674497128 /nfs/dbraw/zinc/49/71/28/674497128.db2.gz ZMLNWKFKNMXKKQ-BBWFWOEESA-N 2 0 352.523 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000956379778 674522135 /nfs/dbraw/zinc/52/21/35/674522135.db2.gz YZOOVXJYKAKFRN-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958032238 674558572 /nfs/dbraw/zinc/55/85/72/674558572.db2.gz HVPMYBSUONEOER-DRRXZNNHSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[C@@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000924631369 665856143 /nfs/dbraw/zinc/85/61/43/665856143.db2.gz MDLQYLWPUZMSGA-SJLPKXTDSA-N 2 0 374.595 0.908 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CCO3)CC1 ZINC000933063536 663357674 /nfs/dbraw/zinc/35/76/74/663357674.db2.gz PEMDNTWXCORPTR-QGZVFWFLSA-N 2 0 353.507 0.981 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891481792 663408874 /nfs/dbraw/zinc/40/88/74/663408874.db2.gz GYQSGSJNHKENQE-JYJNAYRXSA-N 2 0 353.511 0.746 20 0 FCADRP CC[N@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000891484645 663409123 /nfs/dbraw/zinc/40/91/23/663409123.db2.gz HQXBWUWCMGVKEH-ZNMIVQPWSA-N 2 0 353.467 0.293 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000891493553 663409698 /nfs/dbraw/zinc/40/96/98/663409698.db2.gz UWDQOQKMSHIQLQ-UHFFFAOYSA-N 2 0 356.511 0.945 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000891513436 663410798 /nfs/dbraw/zinc/41/07/98/663410798.db2.gz CDFUWXLURDNTSD-BEAPCOKYSA-N 2 0 351.451 0.046 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565077 663415428 /nfs/dbraw/zinc/41/54/28/663415428.db2.gz OZYOFKWFXKOFMU-KLHKWILBSA-N 2 0 351.495 0.058 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891566955 663415986 /nfs/dbraw/zinc/41/59/86/663415986.db2.gz UOJVVCBXOQZWNI-KRWDZBQOSA-N 2 0 355.527 0.553 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000891600571 663417917 /nfs/dbraw/zinc/41/79/17/663417917.db2.gz CRVIVRPTAZKAGO-MGPQQGTHSA-N 2 0 365.444 0.649 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000891653799 663423247 /nfs/dbraw/zinc/42/32/47/663423247.db2.gz HBGPBXCUHNEEPK-HIFRSBDPSA-N 2 0 353.511 0.744 20 0 FCADRP COCCC1(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000891857071 663443008 /nfs/dbraw/zinc/44/30/08/663443008.db2.gz XUNPTDRBKGISGU-INIZCTEOSA-N 2 0 356.511 0.945 20 0 FCADRP COCCC1(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH2+]CC1 ZINC000891857073 663443142 /nfs/dbraw/zinc/44/31/42/663443142.db2.gz XUNPTDRBKGISGU-MRXNPFEDSA-N 2 0 356.511 0.945 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891999596 663465412 /nfs/dbraw/zinc/46/54/12/663465412.db2.gz MGCSZVDFTWWWTF-DLBZAZTESA-N 2 0 353.511 0.082 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892080516 663473971 /nfs/dbraw/zinc/47/39/71/663473971.db2.gz ZDUHKPPYNSOWOK-IXDOHACOSA-N 2 0 353.511 0.080 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000892081830 663474084 /nfs/dbraw/zinc/47/40/84/663474084.db2.gz FJJFXCKVLGTNKL-IRXDYDNUSA-N 2 0 353.511 0.224 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000892082303 663474245 /nfs/dbraw/zinc/47/42/45/663474245.db2.gz IUFJLZADLUNVLG-OAHLLOKOSA-N 2 0 351.495 0.644 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892092034 663475425 /nfs/dbraw/zinc/47/54/25/663475425.db2.gz OEHDSNIETWKDLM-BRWVUGGUSA-N 2 0 353.511 0.080 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[NH2+]C1 ZINC000892106985 663476935 /nfs/dbraw/zinc/47/69/35/663476935.db2.gz FPCAOUWASPJPGZ-OLZOCXBDSA-N 2 0 365.444 0.900 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892107738 663477196 /nfs/dbraw/zinc/47/71/96/663477196.db2.gz ITTPGZPTVIGXQJ-STQMWFEESA-N 2 0 365.444 0.900 20 0 FCADRP COCC1(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC000892111881 663477718 /nfs/dbraw/zinc/47/77/18/663477718.db2.gz FLHKNVHFNMRYNB-HNNXBMFYSA-N 2 0 354.495 0.461 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000892263211 663508180 /nfs/dbraw/zinc/50/81/80/663508180.db2.gz LVLGLPUPRCVRDI-CVEARBPZSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295728 663523859 /nfs/dbraw/zinc/52/38/59/663523859.db2.gz SEVODTOZUPMFJM-BRWVUGGUSA-N 2 0 353.511 0.223 20 0 FCADRP CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+](C)CC1 ZINC000888983553 663549376 /nfs/dbraw/zinc/54/93/76/663549376.db2.gz HJMHAEDIIQPSNZ-QGZVFWFLSA-N 2 0 354.564 0.910 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001023372462 663620092 /nfs/dbraw/zinc/62/00/92/663620092.db2.gz SVJYZJGBDVTDBH-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001023377919 663620323 /nfs/dbraw/zinc/62/03/23/663620323.db2.gz XUIOAYZFNFLHMR-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000904528680 665990594 /nfs/dbraw/zinc/99/05/94/665990594.db2.gz BPLOEDWQXFZEPE-MRXNPFEDSA-N 2 0 350.467 0.992 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000892435577 663897467 /nfs/dbraw/zinc/89/74/67/663897467.db2.gz BCFFUTCCDFFMAT-BZUAXINKSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892594261 664045513 /nfs/dbraw/zinc/04/55/13/664045513.db2.gz JESBARKSQVKESB-GDBMZVCRSA-N 2 0 352.504 0.746 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000892764665 664138973 /nfs/dbraw/zinc/13/89/73/664138973.db2.gz VZUNJVZRRFSWBR-OWCLPIDISA-N 2 0 354.495 0.242 20 0 FCADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892865137 664150795 /nfs/dbraw/zinc/15/07/95/664150795.db2.gz GDSHLDNIVLUNES-PBHICJAKSA-N 2 0 367.515 0.891 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000892918461 664154401 /nfs/dbraw/zinc/15/44/01/664154401.db2.gz FLIIMSJDYOUMSP-HOCLYGCPSA-N 2 0 351.495 0.275 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944938 664177144 /nfs/dbraw/zinc/17/71/44/664177144.db2.gz XCUKPMQXQFSIOQ-ZACQAIPSSA-N 2 0 354.495 0.338 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+]CC3CC[NH+](C)CC3)CC2)cn1 ZINC000893032321 664200929 /nfs/dbraw/zinc/20/09/29/664200929.db2.gz KNDSQYGHMSFING-UHFFFAOYSA-N 2 0 355.508 0.505 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053350 664202193 /nfs/dbraw/zinc/20/21/93/664202193.db2.gz MJHHSDPIMHQWGX-IAGOWNOFSA-N 2 0 353.511 0.034 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974125203 664223738 /nfs/dbraw/zinc/22/37/38/664223738.db2.gz CPLWEYHJMTZEPW-NQNKBUKLSA-N 2 0 350.507 0.963 20 0 FCADRP Cc1csc(=O)n1CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959963259 674603791 /nfs/dbraw/zinc/60/37/91/674603791.db2.gz CDWBWWQURVGBJE-SUJAAXHWSA-N 2 0 364.515 0.605 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001027416343 664396786 /nfs/dbraw/zinc/39/67/86/664396786.db2.gz FLDCSNGGBQOTCP-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000931482798 664399711 /nfs/dbraw/zinc/39/97/11/664399711.db2.gz OLMRYSWURBINFJ-UHFFFAOYSA-N 2 0 354.373 0.153 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000977945361 664430303 /nfs/dbraw/zinc/43/03/03/664430303.db2.gz LHPWNTQEUDYLBR-DJIMGWMZSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000977945362 664430344 /nfs/dbraw/zinc/43/03/44/664430344.db2.gz LHPWNTQEUDYLBR-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC000981776462 664839237 /nfs/dbraw/zinc/83/92/37/664839237.db2.gz PBSIBWMSLHFDOH-HUUCEWRRSA-N 2 0 357.520 0.296 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000981893180 664846559 /nfs/dbraw/zinc/84/65/59/664846559.db2.gz ANIDUUQEEHNWQP-HZMVEIRTSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283459 664864319 /nfs/dbraw/zinc/86/43/19/664864319.db2.gz SPNXIKXBECABDC-TZNWLIJBSA-N 2 0 350.507 0.761 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000982779685 664911900 /nfs/dbraw/zinc/91/19/00/664911900.db2.gz UWBZMTQSRHPYIQ-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)CC1(CC(=O)NC[C@@H]2CC[N@H+]2C)CCCC1 ZINC000928564301 665022506 /nfs/dbraw/zinc/02/25/06/665022506.db2.gz UTDXJXOFJIZDMJ-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326477 665080925 /nfs/dbraw/zinc/08/09/25/665080925.db2.gz ZISJQAXGFPHWRZ-INIZCTEOSA-N 2 0 350.507 0.382 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897146370 665148117 /nfs/dbraw/zinc/14/81/17/665148117.db2.gz RMECPQNJPOUWOI-SQNIBIBYSA-N 2 0 351.491 0.807 20 0 FCADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000925217068 665187756 /nfs/dbraw/zinc/18/77/56/665187756.db2.gz WDXSDAILGAHDEU-OAHLLOKOSA-N 2 0 360.568 0.662 20 0 FCADRP C[NH+](C)CCCNC(=S)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905556379 666028107 /nfs/dbraw/zinc/02/81/07/666028107.db2.gz QXMLVALRJPFIHW-INIZCTEOSA-N 2 0 357.568 0.199 20 0 FCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2n1CCCC2 ZINC000907135219 666100405 /nfs/dbraw/zinc/10/04/05/666100405.db2.gz QUFGGWOBYAMARZ-UHFFFAOYSA-N 2 0 369.535 0.866 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982072 666301675 /nfs/dbraw/zinc/30/16/75/666301675.db2.gz AFGFAHKSFXQTNK-JKSUJKDBSA-N 2 0 354.495 0.252 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911040407 666307676 /nfs/dbraw/zinc/30/76/76/666307676.db2.gz PFJXXJNSAXIOGZ-HNNXBMFYSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911185416 666320264 /nfs/dbraw/zinc/32/02/64/666320264.db2.gz DVFJTKCHJRRSRK-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000911229176 666327650 /nfs/dbraw/zinc/32/76/50/666327650.db2.gz JLVUTYGDOGXQPY-HNNXBMFYSA-N 2 0 368.547 0.662 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000911595358 666368280 /nfs/dbraw/zinc/36/82/80/666368280.db2.gz MLSYXPBIJJTYGT-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939490275 666516909 /nfs/dbraw/zinc/51/69/09/666516909.db2.gz IATHJFLOUOREBX-BRWVUGGUSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000991446676 666523279 /nfs/dbraw/zinc/52/32/79/666523279.db2.gz NRRXRDBETANBJD-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000940286973 666545403 /nfs/dbraw/zinc/54/54/03/666545403.db2.gz BWLFMSZAEQIHLR-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H](C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1)OC ZINC000941412802 666627065 /nfs/dbraw/zinc/62/70/65/666627065.db2.gz LVVAGXPZIXGWDS-BPQIPLTHSA-N 2 0 352.523 0.580 20 0 FCADRP C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000992320464 666633587 /nfs/dbraw/zinc/63/35/87/666633587.db2.gz WQYIKLGGJSWXBV-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000992401588 666636114 /nfs/dbraw/zinc/63/61/14/666636114.db2.gz RNPUYKDUYGGWOV-YESZJQIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000943655073 666781359 /nfs/dbraw/zinc/78/13/59/666781359.db2.gz WNBZWSARLGJAIM-HHARLNAUSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000944087154 666827624 /nfs/dbraw/zinc/82/76/24/666827624.db2.gz YPBZMZCLLYXCDC-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1)[NH+](C)C ZINC000945388595 666879101 /nfs/dbraw/zinc/87/91/01/666879101.db2.gz YICAXFVILDFDBG-LVQVYYBASA-N 2 0 354.495 0.153 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000732569598 666889127 /nfs/dbraw/zinc/88/91/27/666889127.db2.gz RVPRAPUDRGRUPQ-OAHLLOKOSA-N 2 0 354.495 0.949 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)CC1 ZINC000995835149 666892703 /nfs/dbraw/zinc/89/27/03/666892703.db2.gz VVSRSUOMNFIHEU-ZACQAIPSSA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1)[NH+](C)C ZINC000994411754 667039547 /nfs/dbraw/zinc/03/95/47/667039547.db2.gz AGECQSBQYFNZJB-VQHPVUNQSA-N 2 0 352.523 0.878 20 0 FCADRP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)[NH+](C)C ZINC000997872922 667178586 /nfs/dbraw/zinc/17/85/86/667178586.db2.gz YLRWSBPSBVSJMR-QZWWFDLISA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001002263250 667527694 /nfs/dbraw/zinc/52/76/94/667527694.db2.gz NBCOHUNHFBURHG-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001002862304 667572934 /nfs/dbraw/zinc/57/29/34/667572934.db2.gz KXUZEPPRVBXIHL-XOKHGSTOSA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423090863 667602786 /nfs/dbraw/zinc/60/27/86/667602786.db2.gz YOBIQNQKNINYSP-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001034939621 667772518 /nfs/dbraw/zinc/77/25/18/667772518.db2.gz HUGDWZSLVYZVCS-MGPQQGTHSA-N 2 0 350.467 0.556 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186806 667775277 /nfs/dbraw/zinc/77/52/77/667775277.db2.gz JWQYJXVONRHDPY-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923283068 667821727 /nfs/dbraw/zinc/82/17/27/667821727.db2.gz ZNFBIRXTTXHRIP-ZIAGYGMSSA-N 2 0 355.866 0.867 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006183548 667856455 /nfs/dbraw/zinc/85/64/55/667856455.db2.gz YVAGPXDHNYXVCV-CKEIUWERSA-N 2 0 350.507 0.774 20 0 FCADRP O=C1[C@@H]2CSCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000777631396 668333797 /nfs/dbraw/zinc/33/37/97/668333797.db2.gz BXQCFVUIBOAGOZ-HNNXBMFYSA-N 2 0 361.471 0.931 20 0 FCADRP Cc1cnc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000787898943 668813218 /nfs/dbraw/zinc/81/32/18/668813218.db2.gz PONFLFKAWQOKIZ-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799122638 669282155 /nfs/dbraw/zinc/28/21/55/669282155.db2.gz DKCWLEICZQPSMY-AWEZNQCLSA-N 2 0 352.479 0.208 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804048876 669353642 /nfs/dbraw/zinc/35/36/42/669353642.db2.gz ABZLISOHJSJUEA-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644266 669860017 /nfs/dbraw/zinc/86/00/17/669860017.db2.gz RCKQFJGBNURRMT-GJZGRUSLSA-N 2 0 351.882 0.939 20 0 FCADRP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817907784 670047897 /nfs/dbraw/zinc/04/78/97/670047897.db2.gz WLXHGXTXRFEJOY-HZPDHXFCSA-N 2 0 354.472 0.991 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000842087606 670632789 /nfs/dbraw/zinc/63/27/89/670632789.db2.gz BTXIMFSGBBHFDD-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825650 670740817 /nfs/dbraw/zinc/74/08/17/670740817.db2.gz VASGKGMYKXIVSN-UHFFFAOYSA-N 2 0 369.535 0.826 20 0 FCADRP C[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843353502 670804389 /nfs/dbraw/zinc/80/43/89/670804389.db2.gz KJDGZSDWVSBLCG-QWHCGFSZSA-N 2 0 351.451 0.332 20 0 FCADRP C[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC([NH3+])CC1 ZINC000843354219 670805357 /nfs/dbraw/zinc/80/53/57/670805357.db2.gz ZCMZNDQNKKWNDX-UHFFFAOYSA-N 2 0 366.487 0.425 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000846239976 671093961 /nfs/dbraw/zinc/09/39/61/671093961.db2.gz KVFAADYCTLNYDO-RRFJBIMHSA-N 2 0 354.495 0.994 20 0 FCADRP CN1CCC[N@H+](CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111463 671318233 /nfs/dbraw/zinc/31/82/33/671318233.db2.gz OZNLPDZWPSNFNK-UHFFFAOYSA-N 2 0 356.515 0.653 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111296 671318274 /nfs/dbraw/zinc/31/82/74/671318274.db2.gz YSELFCSCCBWZQL-UHFFFAOYSA-N 2 0 356.515 0.651 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000849113161 671318705 /nfs/dbraw/zinc/31/87/05/671318705.db2.gz KGJPGTCNQISDAG-HNNXBMFYSA-N 2 0 355.483 0.568 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829531 675899260 /nfs/dbraw/zinc/89/92/60/675899260.db2.gz RWXVNWAIOZCFQZ-BPKGMFCQSA-N 2 0 369.531 0.152 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000851692343 671458380 /nfs/dbraw/zinc/45/83/80/671458380.db2.gz ZYFDJUKTUBVZTK-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000853347846 671546633 /nfs/dbraw/zinc/54/66/33/671546633.db2.gz RSUVFKQMRQTFDK-CVEARBPZSA-N 2 0 355.527 0.768 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000857113566 671717320 /nfs/dbraw/zinc/71/73/20/671717320.db2.gz ANCVIZXBVUMAFO-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000859271895 671806472 /nfs/dbraw/zinc/80/64/72/671806472.db2.gz JFINGEFHZUDJHU-FZDBZEDMSA-N 2 0 374.598 0.858 20 0 FCADRP NC(=O)C1(N2CCCCC2)CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783561 675973045 /nfs/dbraw/zinc/97/30/45/675973045.db2.gz ZEIRTDFEUOPWLZ-SJLPKXTDSA-N 2 0 350.507 0.561 20 0 FCADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCOCC2)NC(=O)NCC(F)(F)F ZINC000903817873 675976048 /nfs/dbraw/zinc/97/60/48/675976048.db2.gz NEJULDABMKHPBN-UHFFFAOYSA-N 2 0 366.384 0.609 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)n2)C1 ZINC000864320892 672190090 /nfs/dbraw/zinc/19/00/90/672190090.db2.gz DOXJYTURSDBSKY-RAIGVLPGSA-N 2 0 357.380 0.633 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC000864794987 672211050 /nfs/dbraw/zinc/21/10/50/672211050.db2.gz SWNNOAIXGYWDND-GOEBONIOSA-N 2 0 350.467 0.561 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)NC)C3)C2)CC[N@@H+]1C ZINC001054133401 676001033 /nfs/dbraw/zinc/00/10/33/676001033.db2.gz BYZRHZSWALFOMN-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868308876 672393469 /nfs/dbraw/zinc/39/34/69/672393469.db2.gz CIIPRRLUBPWFRZ-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357521 676017543 /nfs/dbraw/zinc/01/75/43/676017543.db2.gz QVKBBJOHEHSKDH-WCXIOVBPSA-N 2 0 350.507 0.585 20 0 FCADRP COC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600883 672563872 /nfs/dbraw/zinc/56/38/72/672563872.db2.gz FUKDDVCTEJSBHK-GJZGRUSLSA-N 2 0 353.463 0.731 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816499 672575201 /nfs/dbraw/zinc/57/52/01/672575201.db2.gz FTECMFWIIYTATG-HOCLYGCPSA-N 2 0 355.508 0.624 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146507 672594654 /nfs/dbraw/zinc/59/46/54/672594654.db2.gz PLKHQBXOEFXIFW-NCOADZHNSA-N 2 0 351.491 0.639 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001001423555 676071517 /nfs/dbraw/zinc/07/15/17/676071517.db2.gz DGVNXTJXVUGOSK-BBWFWOEESA-N 2 0 350.507 0.824 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000876784090 672980008 /nfs/dbraw/zinc/98/00/08/672980008.db2.gz WRYRVBJSDIVYSV-AWEZNQCLSA-N 2 0 351.520 0.894 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878230366 673048764 /nfs/dbraw/zinc/04/87/64/673048764.db2.gz JMJXGDOAVQRVRP-KRWDZBQOSA-N 2 0 355.523 0.822 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000878980794 673091720 /nfs/dbraw/zinc/09/17/20/673091720.db2.gz FJGIRLFTDUORBA-XLAORIBOSA-N 2 0 374.598 0.330 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247438 673106742 /nfs/dbraw/zinc/10/67/42/673106742.db2.gz ACGDEQPMJKNEJX-OAHLLOKOSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC001051623294 676106898 /nfs/dbraw/zinc/10/68/98/676106898.db2.gz DDILLZMJHGDYOT-FGTMMUONSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCC[N@H+](CCO)CC2)CC1 ZINC001052389512 676122764 /nfs/dbraw/zinc/12/27/64/676122764.db2.gz UQLUARPUBITTHO-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001052393037 676122798 /nfs/dbraw/zinc/12/27/98/676122798.db2.gz DIVHJFAGMUTMGY-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882489136 673315597 /nfs/dbraw/zinc/31/55/97/673315597.db2.gz MJIGRDNSYOWGGN-YYIAUSFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883204584 673368990 /nfs/dbraw/zinc/36/89/90/673368990.db2.gz DOEQHOCKPCJOGI-OAHLLOKOSA-N 2 0 351.495 0.596 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000883646551 673388365 /nfs/dbraw/zinc/38/83/65/673388365.db2.gz UMNMFZJWDKTJOG-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000884576996 673463527 /nfs/dbraw/zinc/46/35/27/673463527.db2.gz VJTWRRVGPNJZKL-HOTGVXAUSA-N 2 0 350.438 0.755 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884576596 673463657 /nfs/dbraw/zinc/46/36/57/673463657.db2.gz LDNMDLSSCVQQNP-FRRDWIJNSA-N 2 0 364.412 0.430 20 0 FCADRP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C1(C[NH3+])CCCCC1 ZINC000884597724 673464688 /nfs/dbraw/zinc/46/46/88/673464688.db2.gz IHNQJCLEPVYCQK-UHFFFAOYSA-N 2 0 354.495 0.335 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000884607271 673465459 /nfs/dbraw/zinc/46/54/59/673465459.db2.gz UMDSYRCCRIRURY-HOSILWTGSA-N 2 0 362.499 0.820 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612499 673465915 /nfs/dbraw/zinc/46/59/15/673465915.db2.gz MSTXPVVHFSNJHU-GUYCJALGSA-N 2 0 356.536 0.434 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000884626434 673467208 /nfs/dbraw/zinc/46/72/08/673467208.db2.gz LJUQRWUMLJJFKQ-CLCXKQKWSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884627098 673467242 /nfs/dbraw/zinc/46/72/42/673467242.db2.gz DOFYIMVDHCTEFU-KUHUBIRLSA-N 2 0 350.507 0.810 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1CCCC1 ZINC000884641033 673468923 /nfs/dbraw/zinc/46/89/23/673468923.db2.gz YBEQTTJUCDNKLP-UHFFFAOYSA-N 2 0 365.503 0.477 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000884645039 673469555 /nfs/dbraw/zinc/46/95/55/673469555.db2.gz NZQLWQYFNRJQRI-UONOGXRCSA-N 2 0 360.449 0.728 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884665481 673470734 /nfs/dbraw/zinc/47/07/34/673470734.db2.gz VXJLBKZZGJZWSY-IJLUTSLNSA-N 2 0 352.401 0.429 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCCC1 ZINC000884670143 673471259 /nfs/dbraw/zinc/47/12/59/673471259.db2.gz PVNCTYMUNHWLHO-LPHOPBHVSA-N 2 0 350.507 0.827 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000884669611 673471317 /nfs/dbraw/zinc/47/13/17/673471317.db2.gz AUKULSSVOWGUME-VCBZYWHSSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705839 673475356 /nfs/dbraw/zinc/47/53/56/673475356.db2.gz JHLKNKGCLAEACJ-FMHYQEOESA-N 2 0 354.495 0.595 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000884728553 673478291 /nfs/dbraw/zinc/47/82/91/673478291.db2.gz ULDFGRBVUQNZEQ-WTIISPKJSA-N 2 0 364.412 0.571 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884736864 673478894 /nfs/dbraw/zinc/47/88/94/673478894.db2.gz CGGLBQIPUBSDSJ-QWHCGFSZSA-N 2 0 366.428 0.676 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884787460 673482260 /nfs/dbraw/zinc/48/22/60/673482260.db2.gz SJOTWGCHHHPDCH-SDDRHHMPSA-N 2 0 350.385 0.183 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)[NH2+]C1 ZINC000884876370 673487860 /nfs/dbraw/zinc/48/78/60/673487860.db2.gz AFWOBSIKOMIZMI-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884835 673488604 /nfs/dbraw/zinc/48/86/04/673488604.db2.gz MCQDQENPABYLDY-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000884985899 673495879 /nfs/dbraw/zinc/49/58/79/673495879.db2.gz DGIMHJVQOPEPSD-XUJQIHCRSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885011250 673497958 /nfs/dbraw/zinc/49/79/58/673497958.db2.gz HXIHFZZDLLJHOO-DIECFANBSA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC[C@@H]21 ZINC000885286346 673512563 /nfs/dbraw/zinc/51/25/63/673512563.db2.gz WOAAXJBOYJCJDH-MCIONIFRSA-N 2 0 358.433 0.290 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887081309 673620812 /nfs/dbraw/zinc/62/08/12/673620812.db2.gz QFHROFZIRUBRKT-SFHVURJKSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cncc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000890415470 673716142 /nfs/dbraw/zinc/71/61/42/673716142.db2.gz GTMOYICVSUCNQV-CHWSQXEVSA-N 2 0 367.881 0.871 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715686 673736885 /nfs/dbraw/zinc/73/68/85/673736885.db2.gz XIFODOBFJSAXBA-LSDHHAIUSA-N 2 0 355.508 0.292 20 0 FCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704473 673761446 /nfs/dbraw/zinc/76/14/46/673761446.db2.gz FLVPFQNHFUYGKB-ZIAGYGMSSA-N 2 0 353.488 0.938 20 0 FCADRP O=S(=O)(N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1)C(F)(F)F ZINC000925549009 673793796 /nfs/dbraw/zinc/79/37/96/673793796.db2.gz JVIQPNXFDOJZSU-XZPDDHLCSA-N 2 0 353.410 0.886 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926351914 673825766 /nfs/dbraw/zinc/82/57/66/673825766.db2.gz LHWGBSHVVMTZNW-HZPDHXFCSA-N 2 0 354.495 0.143 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927639831 673874187 /nfs/dbraw/zinc/87/41/87/673874187.db2.gz FXBNJLMMWVWFIO-KRWDZBQOSA-N 2 0 354.495 0.338 20 0 FCADRP C[NH+]1CC[C@@H]1CNC(=O)CC1(CC(=O)NC[C@H]2CC[N@H+]2C)CCCC1 ZINC000928564302 673919746 /nfs/dbraw/zinc/91/97/46/673919746.db2.gz UTDXJXOFJIZDMJ-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000930176190 674003741 /nfs/dbraw/zinc/00/37/41/674003741.db2.gz DJEUWRPYBFZQTQ-HNNXBMFYSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000968725384 675226780 /nfs/dbraw/zinc/22/67/80/675226780.db2.gz VFRGUXLPKLLHNU-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000968738111 675227979 /nfs/dbraw/zinc/22/79/79/675227979.db2.gz MUKBLCHROGAWJV-IXDOHACOSA-N 2 0 371.547 0.732 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018866817 675417940 /nfs/dbraw/zinc/41/79/40/675417940.db2.gz AZRWXTFJHOZHNA-QLFBSQMISA-N 2 0 352.504 0.749 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900688350 675707711 /nfs/dbraw/zinc/70/77/11/675707711.db2.gz HKSWYQTURCRKDP-UHFFFAOYSA-N 2 0 350.511 0.592 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000901137274 675762695 /nfs/dbraw/zinc/76/26/95/675762695.db2.gz JOBPMAZEOYZQAK-GOSISDBHSA-N 2 0 354.539 0.756 20 0 FCADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299405 675780534 /nfs/dbraw/zinc/78/05/34/675780534.db2.gz PYQFTQYFQSRBAF-DLBZAZTESA-N 2 0 351.491 0.689 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001208428271 1167924167 /nfs/dbraw/zinc/92/41/67/1167924167.db2.gz RSLYPKFPDNXMDU-FRFSOERESA-N 2 0 361.490 0.669 20 0 FCADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614105 1168161920 /nfs/dbraw/zinc/16/19/20/1168161920.db2.gz JMUCHLJVQCHSOW-RWQQGDIJSA-N 2 0 368.485 0.897 20 0 FCADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020613981 1168162048 /nfs/dbraw/zinc/16/20/48/1168162048.db2.gz CMNFRFIEYRPXTD-TVFCKZIOSA-N 2 0 368.485 0.897 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614098 1168162089 /nfs/dbraw/zinc/16/20/89/1168162089.db2.gz JFRPJUADWIKARP-QQXKLLMISA-N 2 0 370.497 0.847 20 0 FCADRP CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001272091317 1192301874 /nfs/dbraw/zinc/30/18/74/1192301874.db2.gz UMZLGWBZNWMSCU-HDICACEKSA-N 2 0 364.534 0.977 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605250 1192307385 /nfs/dbraw/zinc/30/73/85/1192307385.db2.gz MSKZXBHMLOGCJD-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001272095762 1192322764 /nfs/dbraw/zinc/32/27/64/1192322764.db2.gz ADEFVWATOVUPGW-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001167298890 1168868131 /nfs/dbraw/zinc/86/81/31/1168868131.db2.gz FVHRIZMTEBCXTH-SJORKVTESA-N 2 0 358.486 0.693 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnnn2C)O1 ZINC001021298111 1168963897 /nfs/dbraw/zinc/96/38/97/1168963897.db2.gz WWFITQUJAIBOJX-CRTWOITFSA-N 2 0 362.478 0.146 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)O1 ZINC001021297715 1168964872 /nfs/dbraw/zinc/96/48/72/1168964872.db2.gz TXDZJSVKLKARKO-AKBNIOSXSA-N 2 0 362.478 0.109 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nccn1C)C2 ZINC001112486554 1169097875 /nfs/dbraw/zinc/09/78/75/1169097875.db2.gz ZDABTHSBZYDVHE-KXBFYZLASA-N 2 0 361.490 0.659 20 0 FCADRP COC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCCOC1 ZINC000891170775 1169437990 /nfs/dbraw/zinc/43/79/90/1169437990.db2.gz MUWYJJQJLPDSMJ-BSDSXHPESA-N 2 0 370.538 0.809 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897527003 1192372272 /nfs/dbraw/zinc/37/22/72/1192372272.db2.gz WBOAOPHQGSOPBJ-CVEARBPZSA-N 2 0 361.490 0.965 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001744820229 1169876765 /nfs/dbraw/zinc/87/67/65/1169876765.db2.gz CIOPKTCKUTXXFW-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001021707498 1169904500 /nfs/dbraw/zinc/90/45/00/1169904500.db2.gz NGOVCCANEHHQCF-MAUKXSAKSA-N 2 0 371.485 0.916 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891350839 1170000168 /nfs/dbraw/zinc/00/01/68/1170000168.db2.gz VXKDCLAPKDYOND-JJXSEGSLSA-N 2 0 365.478 0.437 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364226 1170063648 /nfs/dbraw/zinc/06/36/48/1170063648.db2.gz SFDPCSQCWXBZRQ-CWVYHPPDSA-N 2 0 363.462 0.190 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001021808870 1170085373 /nfs/dbraw/zinc/08/53/73/1170085373.db2.gz LMCKRRNDWOMGLO-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001104348447 1170199145 /nfs/dbraw/zinc/19/91/45/1170199145.db2.gz GFQKZCXWGZGFIG-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC001022039022 1170458232 /nfs/dbraw/zinc/45/82/32/1170458232.db2.gz BQQKSNMMEKFLJK-BZZMCLGOSA-N 2 0 362.518 0.728 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000971568301 1170541055 /nfs/dbraw/zinc/54/10/55/1170541055.db2.gz SAXOWZVFMIUPLW-ZTFGCOKTSA-N 2 0 371.485 0.915 20 0 FCADRP O=C(CCN1CCOCC1)N1CCO[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001083224964 1170841544 /nfs/dbraw/zinc/84/15/44/1170841544.db2.gz YXNMANXIFXBLAI-RBUKOAKNSA-N 2 0 359.470 0.821 20 0 FCADRP C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@H+](C)CC1 ZINC000891766106 1170850896 /nfs/dbraw/zinc/85/08/96/1170850896.db2.gz RJJRAAOINCOZIE-BVUBDWEXSA-N 2 0 363.462 0.213 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805843 1170881217 /nfs/dbraw/zinc/88/12/17/1170881217.db2.gz RRZPVXVWAXQSHU-ZWKOTPCHSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001691268220 1171002280 /nfs/dbraw/zinc/00/22/80/1171002280.db2.gz GHYNUGDYJSYYNV-IXDOHACOSA-N 2 0 363.506 0.763 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001691272379 1171009617 /nfs/dbraw/zinc/00/96/17/1171009617.db2.gz UQAKXRCQVATGCJ-SQWLQELKSA-N 2 0 367.494 0.176 20 0 FCADRP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001691328150 1171108507 /nfs/dbraw/zinc/10/85/07/1171108507.db2.gz PZFDVGAEAUSVIP-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCC[C@H](C)O ZINC001691333511 1171125102 /nfs/dbraw/zinc/12/51/02/1171125102.db2.gz HJFJTESNHORCBX-GVDBMIGSSA-N 2 0 353.507 0.696 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691333456 1171126189 /nfs/dbraw/zinc/12/61/89/1171126189.db2.gz DRMFIVUXJMMPJM-GVDBMIGSSA-N 2 0 364.494 0.073 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001691356029 1171192250 /nfs/dbraw/zinc/19/22/50/1171192250.db2.gz FGAJKMDUVATBEG-WCXIOVBPSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891954875 1171245775 /nfs/dbraw/zinc/24/57/75/1171245775.db2.gz VTETYPRKCWTKNI-XHSDSOJGSA-N 2 0 365.478 0.437 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970226 1171356565 /nfs/dbraw/zinc/35/65/65/1171356565.db2.gz JEBMJWFCEGNBIZ-SJLPKXTDSA-N 2 0 373.501 0.486 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000892007253 1171475088 /nfs/dbraw/zinc/47/50/88/1171475088.db2.gz PMXRIJFVXFAIJC-JJXSEGSLSA-N 2 0 365.478 0.471 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000892007252 1171475525 /nfs/dbraw/zinc/47/55/25/1171475525.db2.gz PMXRIJFVXFAIJC-FPCVCCKLSA-N 2 0 365.478 0.471 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892213644 1171751608 /nfs/dbraw/zinc/75/16/08/1171751608.db2.gz FXEJHTCKIHKXKG-OAGGEKHMSA-N 2 0 367.494 0.541 20 0 FCADRP O=C(N1CCO[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249427 1172021669 /nfs/dbraw/zinc/02/16/69/1172021669.db2.gz DUYXCYGBVCNRNV-OKZBNKHCSA-N 2 0 363.502 0.811 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CN(Cc2cncn2C)CCO3)CC[N@@H+]1C ZINC000972389403 1172071461 /nfs/dbraw/zinc/07/14/61/1172071461.db2.gz MPBCSEBGSHGSAO-SUMDDJOVSA-N 2 0 361.490 0.564 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC000972430345 1172134032 /nfs/dbraw/zinc/13/40/32/1172134032.db2.gz BVMVBHZLSOOOCB-XMTFNYHQSA-N 2 0 374.529 0.872 20 0 FCADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989062365 1192667625 /nfs/dbraw/zinc/66/76/25/1192667625.db2.gz VNIOIIKQBJNGTM-FMKPAKJESA-N 2 0 359.474 0.790 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897560458 1192810288 /nfs/dbraw/zinc/81/02/88/1192810288.db2.gz SABNTBVMFSHRHE-LSDHHAIUSA-N 2 0 357.458 0.472 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898005882 1192853453 /nfs/dbraw/zinc/85/34/53/1192853453.db2.gz KVDNNSFZTLMYMB-RKVPGOIHSA-N 2 0 371.485 0.718 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001691552281 1192873537 /nfs/dbraw/zinc/87/35/37/1192873537.db2.gz BRIBTNZFNMZKJE-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001691579030 1192891408 /nfs/dbraw/zinc/89/14/08/1192891408.db2.gz WJUNBYKTNKIOKF-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001691579029 1192891437 /nfs/dbraw/zinc/89/14/37/1192891437.db2.gz WJUNBYKTNKIOKF-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP COCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433406 1178839605 /nfs/dbraw/zinc/83/96/05/1178839605.db2.gz AZGXJAAJMNKTQH-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493477 1179436268 /nfs/dbraw/zinc/43/62/68/1179436268.db2.gz ZFTLOTLUEVJGAF-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC001023796873 1180324719 /nfs/dbraw/zinc/32/47/19/1180324719.db2.gz OEDSMLYLCKRFID-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC001023797132 1180328986 /nfs/dbraw/zinc/32/89/86/1180328986.db2.gz VTQXDDUMBDIGEM-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001112518374 1180836753 /nfs/dbraw/zinc/83/67/53/1180836753.db2.gz GJBDBCYVXUXJOZ-JXFKEZNVSA-N 2 0 362.518 0.779 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)CC1 ZINC001024492610 1181240498 /nfs/dbraw/zinc/24/04/98/1181240498.db2.gz GNIAUBOWBGCDRU-IAGOWNOFSA-N 2 0 371.441 0.206 20 0 FCADRP Cc1cnc(CN2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939760 1181545797 /nfs/dbraw/zinc/54/57/97/1181545797.db2.gz QZBFGMNWYZNFKN-LPHOPBHVSA-N 2 0 361.490 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C[C@H](C)[N@H+]1C ZINC000892520949 1181714127 /nfs/dbraw/zinc/71/41/27/1181714127.db2.gz YDKIOGIBWOUSIO-OKILXGFUSA-N 2 0 357.462 0.960 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000892542903 1181843075 /nfs/dbraw/zinc/84/30/75/1181843075.db2.gz BLUFSCPRLVIJEU-DLBZAZTESA-N 2 0 365.453 0.708 20 0 FCADRP Cc1ccnc(CNC[C@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001024998601 1181843137 /nfs/dbraw/zinc/84/31/37/1181843137.db2.gz GPPAIQNSUTUKSE-BRWVUGGUSA-N 2 0 361.490 0.975 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892559204 1181867224 /nfs/dbraw/zinc/86/72/24/1181867224.db2.gz IELVLHWFWCYQFE-FZNQNYSPSA-N 2 0 367.538 0.849 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599503 1182267752 /nfs/dbraw/zinc/26/77/52/1182267752.db2.gz SONZVMGHVXQYIS-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)no1 ZINC001104621623 1182291573 /nfs/dbraw/zinc/29/15/73/1182291573.db2.gz IQNHDBVVSKKXIV-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001104690485 1182371747 /nfs/dbraw/zinc/37/17/47/1182371747.db2.gz GFQKZCXWGZGFIG-ZACQAIPSSA-N 2 0 370.538 0.554 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892759135 1182481823 /nfs/dbraw/zinc/48/18/23/1182481823.db2.gz IBXIVPGHSAPCQL-DLBZAZTESA-N 2 0 368.522 0.897 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776790 1182497683 /nfs/dbraw/zinc/49/76/83/1182497683.db2.gz IASSIAPRVSAYST-IRXDYDNUSA-N 2 0 368.522 0.897 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001104782230 1182915774 /nfs/dbraw/zinc/91/57/74/1182915774.db2.gz RRCFSNKPANNFII-QLFBSQMISA-N 2 0 364.494 0.006 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104848727 1182955133 /nfs/dbraw/zinc/95/51/33/1182955133.db2.gz VDQOIXWHHYRIQM-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104874220 1182968336 /nfs/dbraw/zinc/96/83/36/1182968336.db2.gz PMOURKNZPLCFKY-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010596 1183067743 /nfs/dbraw/zinc/06/77/43/1183067743.db2.gz RMHWOVXLZHHWFM-OAGGEKHMSA-N 2 0 363.510 0.609 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105016809 1183070384 /nfs/dbraw/zinc/07/03/84/1183070384.db2.gz AWDLVTIIHNKGJH-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000974272536 1183084072 /nfs/dbraw/zinc/08/40/72/1183084072.db2.gz HBYXQGMWXPXAGW-LVQVYYBASA-N 2 0 366.506 0.201 20 0 FCADRP CCc1noc(CNC2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)n1 ZINC001026514808 1183145841 /nfs/dbraw/zinc/14/58/41/1183145841.db2.gz SBEGBYSOXRJQFU-XSCHDIRWSA-N 2 0 365.478 0.868 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001112523300 1183370655 /nfs/dbraw/zinc/37/06/55/1183370655.db2.gz LXGHNJUBPIBNBF-LPHOPBHVSA-N 2 0 366.506 0.015 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523490 1183394804 /nfs/dbraw/zinc/39/48/04/1183394804.db2.gz WWVSKSHIRLQCOI-YJBOKZPZSA-N 2 0 363.510 0.924 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001026853931 1183424649 /nfs/dbraw/zinc/42/46/49/1183424649.db2.gz VXTUEQUEIHQFFA-OWCLPIDISA-N 2 0 363.510 0.752 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1)C(N)=O ZINC001211661499 1183725007 /nfs/dbraw/zinc/72/50/07/1183725007.db2.gz AYVTYOCYOZILTD-BHYGNILZSA-N 2 0 358.486 0.786 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975227987 1183789451 /nfs/dbraw/zinc/78/94/51/1183789451.db2.gz XQXWGHAIYRFWEK-YSVLISHTSA-N 2 0 359.474 0.662 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717962 1185635305 /nfs/dbraw/zinc/63/53/05/1185635305.db2.gz AZGVSQFGTZBQAG-BQFCYCMXSA-N 2 0 362.518 0.872 20 0 FCADRP CCN1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978882494 1186021120 /nfs/dbraw/zinc/02/11/20/1186021120.db2.gz HHFDGTPHBAYTAH-NQNKBUKLSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000978970889 1186039780 /nfs/dbraw/zinc/03/97/80/1186039780.db2.gz SIDQKEODIUOXNK-OVYGPGRDSA-N 2 0 366.506 0.058 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211695214 1186214159 /nfs/dbraw/zinc/21/41/59/1186214159.db2.gz QJWXWOKJOSWPON-CEXWTWQISA-N 2 0 363.502 0.920 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1ccccc1 ZINC001211696926 1186284239 /nfs/dbraw/zinc/28/42/39/1186284239.db2.gz QHLOXAUPXVUTCB-CWRNSKLLSA-N 2 0 355.442 0.671 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211703151 1186601628 /nfs/dbraw/zinc/60/16/28/1186601628.db2.gz WVZXLMUEIAZEMH-CEXWTWQISA-N 2 0 363.502 0.920 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211709532 1186685487 /nfs/dbraw/zinc/68/54/87/1186685487.db2.gz PQHBJXDHGJXZAL-BHYGNILZSA-N 2 0 362.474 0.023 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619714 1186713917 /nfs/dbraw/zinc/71/39/17/1186713917.db2.gz MHLSUBMKBPSPBV-CWRNSKLLSA-N 2 0 370.457 0.150 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211723259 1187471690 /nfs/dbraw/zinc/47/16/90/1187471690.db2.gz RZFNNBRWXDBKKY-ZWKOTPCHSA-N 2 0 358.486 0.803 20 0 FCADRP C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001481998615 1187568161 /nfs/dbraw/zinc/56/81/61/1187568161.db2.gz CSZGAMNETVTMIR-GZBFAFLISA-N 2 0 367.494 0.128 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CCOCC1 ZINC000549881989 1187574729 /nfs/dbraw/zinc/57/47/29/1187574729.db2.gz FXYBVVUOCOFHRJ-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000982994244 1187809434 /nfs/dbraw/zinc/80/94/34/1187809434.db2.gz ZTRXNIVXNNRRMW-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CN(CC(=O)N1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1)C(N)=[NH2+] ZINC001269992290 1187961430 /nfs/dbraw/zinc/96/14/30/1187961430.db2.gz FPRQZPIMUNGRMK-GOSISDBHSA-N 2 0 361.494 0.413 20 0 FCADRP C[NH+](C)CCC(=O)N1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001270062079 1187987244 /nfs/dbraw/zinc/98/72/44/1187987244.db2.gz WRELTQAWOWUAAR-UHFFFAOYSA-N 2 0 361.490 0.675 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270102463 1188009644 /nfs/dbraw/zinc/00/96/44/1188009644.db2.gz MXNWNQOMBQFZQU-QGZVFWFLSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549994908 1188066464 /nfs/dbraw/zinc/06/64/64/1188066464.db2.gz PRLBMGOUNZTXFC-HZPDHXFCSA-N 2 0 368.522 0.591 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001270357576 1188116241 /nfs/dbraw/zinc/11/62/41/1188116241.db2.gz FRUNFKAPHIKNPN-GOSISDBHSA-N 2 0 363.462 0.092 20 0 FCADRP C[C@@H](C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)[NH+]1CCCC1 ZINC001270491793 1188172218 /nfs/dbraw/zinc/17/22/18/1188172218.db2.gz YHYCXQFAISALHV-QFBILLFUSA-N 2 0 366.506 0.110 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)NCCn3ccnc3)CC2)C1 ZINC001270491728 1188172550 /nfs/dbraw/zinc/17/25/50/1188172550.db2.gz XDMMVMRRIZJTLQ-CVEARBPZSA-N 2 0 359.474 0.580 20 0 FCADRP CCOC(=O)Cn1cc(CNC[C@]2(O)CC[N@H+](C)C2)c(-c2cccnc2)n1 ZINC000894468848 1188221469 /nfs/dbraw/zinc/22/14/69/1188221469.db2.gz FRKCBZNKJZKBHX-LJQANCHMSA-N 2 0 373.457 0.664 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601901 1188235420 /nfs/dbraw/zinc/23/54/20/1188235420.db2.gz NMAQPWMMYZRUQI-IAGOWNOFSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000894788589 1188250596 /nfs/dbraw/zinc/25/05/96/1188250596.db2.gz UDSBNLRAZQUAOV-XYTVBORESA-N 2 0 365.522 0.711 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)CC[N@@H+]1C ZINC000983714310 1188281360 /nfs/dbraw/zinc/28/13/60/1188281360.db2.gz PSTONZIMYSKASJ-QUSNUVHPSA-N 2 0 360.506 0.980 20 0 FCADRP C[C@H]([NH2+]Cc1cnn(C)n1)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111684 1188293049 /nfs/dbraw/zinc/29/30/49/1188293049.db2.gz MRPWNPWHTHCCFA-JKIFEVAISA-N 2 0 364.494 0.251 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000550377918 1188343705 /nfs/dbraw/zinc/34/37/05/1188343705.db2.gz ZQPUCKQMYRBEMS-QGZVFWFLSA-N 2 0 368.522 0.545 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550383829 1188344223 /nfs/dbraw/zinc/34/42/23/1188344223.db2.gz VFQZMNXINUEFOG-KRWDZBQOSA-N 2 0 369.554 0.175 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001746848444 1188361216 /nfs/dbraw/zinc/36/12/16/1188361216.db2.gz OSFGJLFPKCOBMY-BZUAXINKSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000550413851 1188367454 /nfs/dbraw/zinc/36/74/54/1188367454.db2.gz DQNGVLXCMBLLAO-MAUKXSAKSA-N 2 0 360.502 0.874 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000984006442 1189366412 /nfs/dbraw/zinc/36/64/12/1189366412.db2.gz HUWFVNVGYZSNMU-UTRMSSBJSA-N 2 0 361.486 0.882 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087727261 1189804030 /nfs/dbraw/zinc/80/40/30/1189804030.db2.gz NRNXVSVJEHNRCC-HRCADAONSA-N 2 0 364.490 0.446 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087797702 1189828016 /nfs/dbraw/zinc/82/80/16/1189828016.db2.gz DZCQUAVDVIFDQW-YESZJQIVSA-N 2 0 361.490 0.309 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CC(=O)Nc1cnccn1 ZINC001087828269 1189841275 /nfs/dbraw/zinc/84/12/75/1189841275.db2.gz FTQGGEORSXNXLX-QLFBSQMISA-N 2 0 360.462 0.336 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCN1CCNC1=O ZINC001087840621 1189848345 /nfs/dbraw/zinc/84/83/45/1189848345.db2.gz GNWBCYYJVSDNPX-GVDBMIGSSA-N 2 0 365.522 0.855 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014163 1190216612 /nfs/dbraw/zinc/21/66/12/1190216612.db2.gz IOACXNYSJARNGS-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000984898470 1190228889 /nfs/dbraw/zinc/22/88/89/1190228889.db2.gz LWXFZLIOXUYPMS-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088064592 1190343413 /nfs/dbraw/zinc/34/34/13/1190343413.db2.gz MAEBXMVPQUAPQL-IKGGRYGDSA-N 2 0 362.518 0.872 20 0 FCADRP CCn1cc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)nn1 ZINC001088090947 1190542861 /nfs/dbraw/zinc/54/28/61/1190542861.db2.gz OKGWROVHBHQJRZ-SJORKVTESA-N 2 0 360.506 0.920 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090681 1190544245 /nfs/dbraw/zinc/54/42/45/1190544245.db2.gz BFQRWJNRCFQRSF-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)c1cnc(C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000909560196 1190546829 /nfs/dbraw/zinc/54/68/29/1190546829.db2.gz OMUWBVXUMHSFKB-UHFFFAOYSA-N 2 0 364.494 0.617 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105758 1190592153 /nfs/dbraw/zinc/59/21/53/1190592153.db2.gz BJFXIDSNOBIDKG-BBWFWOEESA-N 2 0 363.506 0.276 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(C)C4=O)CC[C@@H]3C2)CC1 ZINC001088150556 1190673573 /nfs/dbraw/zinc/67/35/73/1190673573.db2.gz KFLVNVTZSODSAG-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001075876556 1190795795 /nfs/dbraw/zinc/79/57/95/1190795795.db2.gz RAZSBXUOKYMBOP-RCCFBDPRSA-N 2 0 360.506 0.789 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000985825175 1190825625 /nfs/dbraw/zinc/82/56/25/1190825625.db2.gz XHVGGIDLDLZLLO-IKGGRYGDSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830785 1190828356 /nfs/dbraw/zinc/82/83/56/1190828356.db2.gz IKJUHZJVMLZCLQ-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)C1CC1 ZINC000986137336 1190903810 /nfs/dbraw/zinc/90/38/10/1190903810.db2.gz PYSSOHILHJCVGP-AOIWGVFYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4ncc[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986191211 1190917225 /nfs/dbraw/zinc/91/72/25/1190917225.db2.gz QXVRGENTMLVQKV-WCXIOVBPSA-N 2 0 373.501 0.989 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986482668 1191006400 /nfs/dbraw/zinc/00/64/00/1191006400.db2.gz LVWYDCUZBMLZTA-XMTFNYHQSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001059730233 1191049695 /nfs/dbraw/zinc/04/96/95/1191049695.db2.gz BPTBMZSZVUYFON-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886576 1191117790 /nfs/dbraw/zinc/11/77/90/1191117790.db2.gz ZUJNFMQMVIGHMD-USXIJHARSA-N 2 0 358.490 0.782 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3cncn3C)C2)CC[N@@H+]1C ZINC000988143264 1191152924 /nfs/dbraw/zinc/15/29/24/1191152924.db2.gz VTKALIZOPDJXKZ-BFYDXBDKSA-N 2 0 361.490 0.610 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088572010 1191207647 /nfs/dbraw/zinc/20/76/47/1191207647.db2.gz UYSLEZUFPQVMMA-XWIAVFTESA-N 2 0 360.506 0.816 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089242 1224140035 /nfs/dbraw/zinc/14/00/35/1224140035.db2.gz ILFFPVKSVXWGDI-BBATYDOGSA-N 2 0 364.446 0.672 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000550659727 1193727407 /nfs/dbraw/zinc/72/74/07/1193727407.db2.gz CRAVGRUGXFHKBF-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691581921 1193735664 /nfs/dbraw/zinc/73/56/64/1193735664.db2.gz IKNWFSNLFPINIS-ZACQAIPSSA-N 2 0 352.523 0.975 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000550709029 1193739017 /nfs/dbraw/zinc/73/90/17/1193739017.db2.gz ZOIQEYZDUMVSNN-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP COc1ccc(-c2ccccn2)nc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218521650 1224167668 /nfs/dbraw/zinc/16/76/68/1224167668.db2.gz ZXJJVRXHYJMGQT-CQSZACIVSA-N 2 0 370.457 0.841 20 0 FCADRP COc1ccc(-c2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)n(C)n2)cc1 ZINC001218544022 1224170218 /nfs/dbraw/zinc/17/02/18/1224170218.db2.gz BKJBAHCARYNJFG-INIZCTEOSA-N 2 0 372.473 0.785 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000551160102 1193838021 /nfs/dbraw/zinc/83/80/21/1193838021.db2.gz ZPLFCBVMZVCYPF-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CCn1cncn1 ZINC001088737183 1193875745 /nfs/dbraw/zinc/87/57/45/1193875745.db2.gz GCLPDTMFZSQJJZ-ZBFHGGJFSA-N 2 0 366.429 0.752 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC1=O ZINC000552351173 1193924999 /nfs/dbraw/zinc/92/49/99/1193924999.db2.gz RYSZLMWPJYVROZ-INIZCTEOSA-N 2 0 366.506 0.156 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667273 1193929103 /nfs/dbraw/zinc/92/91/03/1193929103.db2.gz AFEMMLHNZIMQMK-PSBWJHGTSA-N 2 0 364.490 0.540 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552471981 1193932527 /nfs/dbraw/zinc/93/25/27/1193932527.db2.gz ZJJITUWNZJLTIU-AWEZNQCLSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553094503 1193971172 /nfs/dbraw/zinc/97/11/72/1193971172.db2.gz DVHWQAUKDSEUNB-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188611 1194084595 /nfs/dbraw/zinc/08/45/95/1194084595.db2.gz IZPAQJVZCVOPMF-FXAWDEMLSA-N 2 0 374.485 0.119 20 0 FCADRP COC(=O)c1cc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)c[nH]c-2n1 ZINC001218671382 1224192974 /nfs/dbraw/zinc/19/29/74/1224192974.db2.gz SKOCEGFKFDAHDD-CYBMUJFWSA-N 2 0 360.418 0.038 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228901 1194108465 /nfs/dbraw/zinc/10/84/65/1194108465.db2.gz CDKDGWRPSWFWQX-ROUUACIJSA-N 2 0 358.486 0.747 20 0 FCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218669618 1224193256 /nfs/dbraw/zinc/19/32/56/1224193256.db2.gz USFKULIRMNUJJD-INIZCTEOSA-N 2 0 362.478 0.028 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000899229603 1194122824 /nfs/dbraw/zinc/12/28/24/1194122824.db2.gz CQLPDQVIBPBEGY-HKUYNNGSSA-N 2 0 364.534 0.916 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218694668 1224196879 /nfs/dbraw/zinc/19/68/79/1224196879.db2.gz CJIWAVZSFWWIKA-INIZCTEOSA-N 2 0 359.474 0.908 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)n3ccc(=[NH2+])c(N)c3)cc(=O)oc2c1 ZINC001218694118 1224197058 /nfs/dbraw/zinc/19/70/58/1224197058.db2.gz ROYMLEPIPZUPKD-AWEZNQCLSA-N 2 0 354.366 0.875 20 0 FCADRP Cc1nnc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])ccn12 ZINC001218700425 1224198980 /nfs/dbraw/zinc/19/89/80/1224198980.db2.gz YWBQQOSBYYNFAH-GJZGRUSLSA-N 2 0 373.461 0.424 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218711730 1224201888 /nfs/dbraw/zinc/20/18/88/1224201888.db2.gz SWBQMQDOXOJASA-RYUDHWBXSA-N 2 0 373.417 0.365 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218714027 1224202524 /nfs/dbraw/zinc/20/25/24/1224202524.db2.gz WMHDTYMJLKWDRN-ZFWWWQNUSA-N 2 0 357.414 0.724 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243973 1194370928 /nfs/dbraw/zinc/37/09/28/1194370928.db2.gz JZDBUOFSPRSJNT-OKZBNKHCSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076418491 1194465887 /nfs/dbraw/zinc/46/58/87/1194465887.db2.gz ADAPYYWURIFHIB-OKZBNKHCSA-N 2 0 362.518 0.870 20 0 FCADRP CC(C)(C)c1nc2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cn2n1 ZINC001218794728 1224222873 /nfs/dbraw/zinc/22/28/73/1224222873.db2.gz RQICAIWWAORTEQ-CQSZACIVSA-N 2 0 359.478 0.716 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218820033 1224232475 /nfs/dbraw/zinc/23/24/75/1224232475.db2.gz UYPAUDRLDDJYDL-OKZBNKHCSA-N 2 0 369.506 0.435 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(N)CC[NH2+]CC2)cc1 ZINC001218856121 1224241001 /nfs/dbraw/zinc/24/10/01/1224241001.db2.gz OYUBRMLRMPSLIX-UHFFFAOYSA-N 2 0 361.490 0.778 20 0 FCADRP Cn1nnc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])ccc21 ZINC001218881615 1224248235 /nfs/dbraw/zinc/24/82/35/1224248235.db2.gz YCJRSEIAHFPEKM-BBRMVZONSA-N 2 0 373.461 0.354 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001218880014 1224245594 /nfs/dbraw/zinc/24/55/94/1224245594.db2.gz QIOWKWJHRKQKCJ-GOSISDBHSA-N 2 0 357.414 0.179 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001218881824 1224247296 /nfs/dbraw/zinc/24/72/96/1224247296.db2.gz HLOZNXHBHUQBQH-UNEWFSDZSA-N 2 0 358.442 0.295 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218901705 1224251900 /nfs/dbraw/zinc/25/19/00/1224251900.db2.gz LSRZGPJVFIXZSY-HOTGVXAUSA-N 2 0 361.446 0.026 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2O)CC1 ZINC001077015065 1195144571 /nfs/dbraw/zinc/14/45/71/1195144571.db2.gz AFHIAXRKAXSXLJ-MKXGPGLRSA-N 2 0 365.518 0.695 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077232947 1195341743 /nfs/dbraw/zinc/34/17/43/1195341743.db2.gz GIAUPFUSACHZDA-JCURWCKSSA-N 2 0 371.441 0.254 20 0 FCADRP CCCNC(=O)[C@@H](C)N1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004286 1224285463 /nfs/dbraw/zinc/28/54/63/1224285463.db2.gz FEYSCTBEVXJFOF-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418008 1195516961 /nfs/dbraw/zinc/51/69/61/1195516961.db2.gz GHNFMFDJAGGLPW-ARCLZCIDSA-N 2 0 371.481 0.254 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580166 1195528787 /nfs/dbraw/zinc/52/87/87/1195528787.db2.gz UINPORQTDCSDCN-NXHRZFHOSA-N 2 0 362.474 0.424 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCc2cncn2C1 ZINC001083583379 1195538630 /nfs/dbraw/zinc/53/86/30/1195538630.db2.gz DDMRZORJRWWEED-JQHSSLGASA-N 2 0 362.474 0.424 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905046417 1195571656 /nfs/dbraw/zinc/57/16/56/1195571656.db2.gz ADFOGQMGVZSYQZ-VQTJNVASSA-N 2 0 363.502 0.426 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC000905147315 1195577866 /nfs/dbraw/zinc/57/78/66/1195577866.db2.gz UWTNNPOZJCSVQM-WOJBJXKFSA-N 2 0 364.486 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000906658647 1195646026 /nfs/dbraw/zinc/64/60/26/1195646026.db2.gz MCUDUZPZFWLDNK-CRAIPNDOSA-N 2 0 373.501 0.568 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029656 1224302385 /nfs/dbraw/zinc/30/23/85/1224302385.db2.gz INLVYTVZOMPDMX-KRWDZBQOSA-N 2 0 368.437 0.793 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001219033430 1224305796 /nfs/dbraw/zinc/30/57/96/1224305796.db2.gz LBSWRKXLLAHNOX-OKZBNKHCSA-N 2 0 367.490 0.189 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000910827274 1195847050 /nfs/dbraw/zinc/84/70/50/1195847050.db2.gz BDGVCQANNUJMDC-OAHLLOKOSA-N 2 0 359.474 0.671 20 0 FCADRP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910843008 1195849106 /nfs/dbraw/zinc/84/91/06/1195849106.db2.gz JDJPFKGEIUZGNP-KRWDZBQOSA-N 2 0 369.469 0.639 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000910830776 1195850831 /nfs/dbraw/zinc/85/08/31/1195850831.db2.gz UJNICFJZKDRWNQ-DLBZAZTESA-N 2 0 373.501 0.919 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961195 1195869266 /nfs/dbraw/zinc/86/92/66/1195869266.db2.gz BDYLPYMGRKAHTB-MSOLQXFVSA-N 2 0 360.502 0.924 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000910977626 1195872703 /nfs/dbraw/zinc/87/27/03/1195872703.db2.gz VPFKBXNLKORQEH-QAPCUYQASA-N 2 0 374.485 0.067 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@@H](C)C1 ZINC000911032616 1195881511 /nfs/dbraw/zinc/88/15/11/1195881511.db2.gz FSRFTUSZWHRVDV-ULQDDVLXSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000911073056 1195886079 /nfs/dbraw/zinc/88/60/79/1195886079.db2.gz PVQXAPJXOLXMGM-MRXNPFEDSA-N 2 0 360.502 0.962 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NCC3([NH3+])CC3)CC2)cc1 ZINC000911076834 1195886463 /nfs/dbraw/zinc/88/64/63/1195886463.db2.gz KBRNZNCBGOGNAJ-UHFFFAOYSA-N 2 0 374.485 0.631 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000911092753 1195887886 /nfs/dbraw/zinc/88/78/86/1195887886.db2.gz VCMHPHKJYPZXFQ-MOPGFXCFSA-N 2 0 372.513 0.865 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911101191 1195889556 /nfs/dbraw/zinc/88/95/56/1195889556.db2.gz KYKMJLIBRPSFDW-JKSUJKDBSA-N 2 0 371.485 0.230 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911123755 1195892774 /nfs/dbraw/zinc/89/27/74/1195892774.db2.gz JDDXWKZVOHOJGH-HUUCEWRRSA-N 2 0 358.486 0.867 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000911170842 1195909595 /nfs/dbraw/zinc/90/95/95/1195909595.db2.gz XSRFVFZFQNTXQS-KRWDZBQOSA-N 2 0 373.501 0.089 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000911259737 1195928655 /nfs/dbraw/zinc/92/86/55/1195928655.db2.gz ZVHIDUVXDWPXBD-QZTJIDSGSA-N 2 0 356.470 0.718 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000911324395 1195933518 /nfs/dbraw/zinc/93/35/18/1195933518.db2.gz BVBDPNRZNBMTPA-XWTMOSNGSA-N 2 0 356.470 0.860 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318379 1195937898 /nfs/dbraw/zinc/93/78/98/1195937898.db2.gz GHNNNSWCRVCWME-IRXDYDNUSA-N 2 0 368.522 0.658 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC000911359246 1195941855 /nfs/dbraw/zinc/94/18/55/1195941855.db2.gz XJWTWCAYJIBWRB-OTWHNJEPSA-N 2 0 370.497 0.753 20 0 FCADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083668885 1196392460 /nfs/dbraw/zinc/39/24/60/1196392460.db2.gz KUQNFDIRYCIXFL-IPELMVKDSA-N 2 0 361.486 0.602 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCO[C@@H](C)C2)CC1=O ZINC000591644086 1196522757 /nfs/dbraw/zinc/52/27/57/1196522757.db2.gz PRIGNXXPNVZKBR-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592962094 1196596989 /nfs/dbraw/zinc/59/69/89/1196596989.db2.gz WBNCNDCDZTVPES-INIZCTEOSA-N 2 0 362.522 0.867 20 0 FCADRP COCCOCCN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000593918657 1196671832 /nfs/dbraw/zinc/67/18/32/1196671832.db2.gz FGRHHPDMJWRANY-OAHLLOKOSA-N 2 0 365.478 0.140 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060421581 1197123517 /nfs/dbraw/zinc/12/35/17/1197123517.db2.gz ZJVSUXQWBMBGKY-BZUAXINKSA-N 2 0 361.490 0.830 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000992687358 1197302306 /nfs/dbraw/zinc/30/23/06/1197302306.db2.gz JNVYJBJMLHVIMJ-FRQCXROJSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148050 1197308053 /nfs/dbraw/zinc/30/80/53/1197308053.db2.gz DVYOWHXKFLOLOK-JOCBIADPSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148616 1197309136 /nfs/dbraw/zinc/30/91/36/1197309136.db2.gz VYCZIYAVPJYUJH-JOCBIADPSA-N 2 0 364.534 0.927 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219287746 1224415640 /nfs/dbraw/zinc/41/56/40/1224415640.db2.gz BDRYBICFUYUQML-CYBMUJFWSA-N 2 0 366.441 0.468 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000914399687 1197533948 /nfs/dbraw/zinc/53/39/48/1197533948.db2.gz QLLFWTWMMNNNAA-KRWDZBQOSA-N 2 0 362.474 0.901 20 0 FCADRP C[C@]12CN(C(=O)CCc3ncc[nH]3)C[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC000992855082 1197566726 /nfs/dbraw/zinc/56/67/26/1197566726.db2.gz SIDYFTAMTDEFTC-HNAYVOBHSA-N 2 0 359.474 0.745 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085245918 1197736904 /nfs/dbraw/zinc/73/69/04/1197736904.db2.gz UFYWXEVQTBXRSF-RBSFLKMASA-N 2 0 365.478 0.040 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106249717 1197784262 /nfs/dbraw/zinc/78/42/62/1197784262.db2.gz OWHCZOUNAIFWHS-BJZITVGISA-N 2 0 364.534 0.927 20 0 FCADRP CCOC(=O)CC1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000914569818 1197807812 /nfs/dbraw/zinc/80/78/12/1197807812.db2.gz SVCREMOGHLKWEN-UHFFFAOYSA-N 2 0 366.462 0.625 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001085333568 1197826630 /nfs/dbraw/zinc/82/66/30/1197826630.db2.gz XFLOYIFKLQHZCV-KFWWJZLASA-N 2 0 364.490 0.541 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085333139 1197827214 /nfs/dbraw/zinc/82/72/14/1197827214.db2.gz BJHQYQWEYSQWJW-HZPDHXFCSA-N 2 0 365.522 0.761 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323034 1197863997 /nfs/dbraw/zinc/86/39/97/1197863997.db2.gz VMIBCVQXROOJLB-NXHRZFHOSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321746 1197864941 /nfs/dbraw/zinc/86/49/41/1197864941.db2.gz DOENDXIAUXFXEC-BRWVUGGUSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106322135 1197865596 /nfs/dbraw/zinc/86/55/96/1197865596.db2.gz KSZROAFUMAYMRX-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106370891 1197884601 /nfs/dbraw/zinc/88/46/01/1197884601.db2.gz FRFCAAQWSJJLJE-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106378422 1197889532 /nfs/dbraw/zinc/88/95/32/1197889532.db2.gz QSVQCRUYGUXRPR-GDBMZVCRSA-N 2 0 370.457 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106431673 1197921379 /nfs/dbraw/zinc/92/13/79/1197921379.db2.gz JCWYMRFEMVCYMK-GDBMZVCRSA-N 2 0 355.442 0.864 20 0 FCADRP CC1(C)COC(c2ccccc2NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)=N1 ZINC001219385959 1224449838 /nfs/dbraw/zinc/44/98/38/1224449838.db2.gz ADHJIGMHCNYWAT-HNNXBMFYSA-N 2 0 359.474 0.931 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001086089848 1198148681 /nfs/dbraw/zinc/14/86/81/1198148681.db2.gz UJLCFCPLHUGMHY-VVLHAWIVSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1)c1nnnn1C ZINC001086202426 1198253036 /nfs/dbraw/zinc/25/30/36/1198253036.db2.gz YOTDPYMGGIOJCS-RKQHYHRCSA-N 2 0 358.450 0.293 20 0 FCADRP COc1cc2c(cc1NC(=O)c1ccc(C[NH3+])nc1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219506508 1224492057 /nfs/dbraw/zinc/49/20/57/1224492057.db2.gz KYVUXKJCIIDJDV-LJQANCHMSA-N 2 0 367.409 0.984 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000746257738 1198976506 /nfs/dbraw/zinc/97/65/06/1198976506.db2.gz GCRRROBKPUWTDP-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(N(CC[NH3+])c3cccnc3)nn2)CC1 ZINC001168834160 1199036941 /nfs/dbraw/zinc/03/69/41/1199036941.db2.gz FMUMRJNNTOQKNI-UHFFFAOYSA-N 2 0 355.446 0.792 20 0 FCADRP C[NH+]1CCN(c2cc(-n3nnc(-c4cccc(C[NH3+])c4)n3)ncn2)CC1 ZINC001168878046 1199038419 /nfs/dbraw/zinc/03/84/19/1199038419.db2.gz KKLHUWBPPGOPJE-UHFFFAOYSA-N 2 0 351.418 0.330 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219610489 1224527709 /nfs/dbraw/zinc/52/77/09/1224527709.db2.gz OOOVASWAXDMAAN-LYRGGWFBSA-N 2 0 368.359 0.507 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001219617927 1224530190 /nfs/dbraw/zinc/53/01/90/1224530190.db2.gz RBIKOBRZXOZOOU-FXAWDEMLSA-N 2 0 359.445 0.884 20 0 FCADRP [NH3+][C@H]1CCN([C@@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3o2)C1 ZINC001219697716 1224563988 /nfs/dbraw/zinc/56/39/88/1224563988.db2.gz XCIRJWPVMOCLAN-WMLDXEAASA-N 2 0 358.442 0.348 20 0 FCADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001219696351 1224564063 /nfs/dbraw/zinc/56/40/63/1224564063.db2.gz IQOCFFLPLGLGIN-GOSISDBHSA-N 2 0 372.469 0.610 20 0 FCADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219703861 1224565917 /nfs/dbraw/zinc/56/59/17/1224565917.db2.gz RQIOUZRPKGBAKX-QGZVFWFLSA-N 2 0 366.469 0.491 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001219723394 1224576606 /nfs/dbraw/zinc/57/66/06/1224576606.db2.gz LREVWLSCOIEQAZ-RTBURBONSA-N 3 0 372.513 0.593 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219737331 1224586060 /nfs/dbraw/zinc/58/60/60/1224586060.db2.gz SZCJTBUADGXJRS-WMLDXEAASA-N 2 0 357.454 0.564 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)cc1 ZINC001219743783 1224588784 /nfs/dbraw/zinc/58/87/84/1224588784.db2.gz LXSRPNCOGCHCEZ-CVEARBPZSA-N 2 0 360.458 0.073 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219741632 1224587655 /nfs/dbraw/zinc/58/76/55/1224587655.db2.gz PPLAHURPBYAQPI-HOTGVXAUSA-N 2 0 373.501 0.552 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)N2CCC([NH3+])CC2)cc1 ZINC001219739707 1224587901 /nfs/dbraw/zinc/58/79/01/1224587901.db2.gz VQLFROLRCMAXAM-OALUTQOASA-N 2 0 372.513 0.954 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743969 1224589363 /nfs/dbraw/zinc/58/93/63/1224589363.db2.gz QAXPFKBOZUNFJR-HZPDHXFCSA-N 2 0 367.490 0.664 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385425 1200098435 /nfs/dbraw/zinc/09/84/35/1200098435.db2.gz MNCLSLRHUBJBLC-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1cccnc1N1CC[NH2+]CC1 ZINC001219746251 1224591095 /nfs/dbraw/zinc/59/10/95/1224591095.db2.gz GZQWZFACQOPCKA-HNNXBMFYSA-N 2 0 359.474 0.522 20 0 FCADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386163 1200110448 /nfs/dbraw/zinc/11/04/48/1200110448.db2.gz ZEEAAYAMDXSATN-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219749190 1224592062 /nfs/dbraw/zinc/59/20/62/1224592062.db2.gz JSIJQQTVMWBLKX-CVEARBPZSA-N 2 0 354.458 0.923 20 0 FCADRP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750216 1224595853 /nfs/dbraw/zinc/59/58/53/1224595853.db2.gz XNAZLNJWFVYKTD-DYVFJYSZSA-N 2 0 358.446 0.320 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406304 1200251917 /nfs/dbraw/zinc/25/19/17/1200251917.db2.gz VZVCGQNLBDULLI-VSZNYVQBSA-N 2 0 366.506 0.201 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219765904 1224602528 /nfs/dbraw/zinc/60/25/28/1224602528.db2.gz HAUTUJJDYAQGES-PLOVASNDSA-N 2 0 369.513 0.122 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766554 1224602711 /nfs/dbraw/zinc/60/27/11/1224602711.db2.gz WBTBXACGYGVQTQ-HFTRVMKXSA-N 2 0 353.470 0.515 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650250 1200441912 /nfs/dbraw/zinc/44/19/12/1200441912.db2.gz ZXRDOZHQKNNNKC-IKGGRYGDSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219789696 1224613027 /nfs/dbraw/zinc/61/30/27/1224613027.db2.gz XFDURLGZCDCTBT-NJAFHUGGSA-N 2 0 373.501 0.457 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795864 1224615502 /nfs/dbraw/zinc/61/55/02/1224615502.db2.gz HTFSSNJOMYLGJQ-PMACEKPBSA-N 3 0 374.529 0.640 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219790747 1224613489 /nfs/dbraw/zinc/61/34/89/1224613489.db2.gz KROSBORZSXZTBF-NZSAHSFTSA-N 2 0 359.518 0.930 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1 ZINC001219787910 1224613594 /nfs/dbraw/zinc/61/35/94/1224613594.db2.gz NDSAJPCWJQIFQV-YJBOKZPZSA-N 2 0 369.469 0.383 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796254 1224617092 /nfs/dbraw/zinc/61/70/92/1224617092.db2.gz SSFPUZZOXWSAQX-SFHVURJKSA-N 3 0 370.501 0.765 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799714 1224618341 /nfs/dbraw/zinc/61/83/41/1224618341.db2.gz BBRBJMBRBXDGDO-SJORKVTESA-N 2 0 360.502 0.767 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800182 1224620359 /nfs/dbraw/zinc/62/03/59/1224620359.db2.gz HMXNWFBYUOCRGF-MOPGFXCFSA-N 2 0 372.513 0.735 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960988 1200637591 /nfs/dbraw/zinc/63/75/91/1200637591.db2.gz IKAYHCQLYQUFNB-YRXWBPOGSA-N 2 0 365.518 0.837 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219802736 1224622780 /nfs/dbraw/zinc/62/27/80/1224622780.db2.gz BEDPZSZRHBEVMF-MBOZVWFJSA-N 2 0 370.497 0.597 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109978732 1200662491 /nfs/dbraw/zinc/66/24/91/1200662491.db2.gz HDRIXHGVTBXPGX-YVSFHVDLSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219811663 1224628085 /nfs/dbraw/zinc/62/80/85/1224628085.db2.gz YJEOWIJOZBRMTA-VLIAUNLRSA-N 2 0 367.453 0.663 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001219814834 1224631011 /nfs/dbraw/zinc/63/10/11/1224631011.db2.gz NIUYPNNYFKXLEO-BTYIYWSLSA-N 2 0 369.465 0.860 20 0 FCADRP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)o1 ZINC001112563886 1200800294 /nfs/dbraw/zinc/80/02/94/1200800294.db2.gz RXACSKKBASEUOV-YJBOKZPZSA-N 2 0 365.478 0.675 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2)C(=O)N(C)C ZINC001112563832 1200800500 /nfs/dbraw/zinc/80/05/00/1200800500.db2.gz PQMIOQGKQQOLOP-GJYPPUQNSA-N 2 0 368.522 0.260 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112567157 1200801733 /nfs/dbraw/zinc/80/17/33/1200801733.db2.gz ABQCJUMGEVOILM-KSSFIOAISA-N 2 0 367.494 0.002 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787104129 1200865958 /nfs/dbraw/zinc/86/59/58/1200865958.db2.gz FVFJZKXELNZDJY-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787130788 1200869356 /nfs/dbraw/zinc/86/93/56/1200869356.db2.gz PBKIZFPJWGRKDZ-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831367 1224642107 /nfs/dbraw/zinc/64/21/07/1224642107.db2.gz IIIXZOLXEBIOCU-HCXYKTFWSA-N 2 0 358.486 0.344 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219833240 1224645346 /nfs/dbraw/zinc/64/53/46/1224645346.db2.gz AYSCNSSOEJUOID-RWQQGDIJSA-N 2 0 367.490 0.047 20 0 FCADRP O=C(Cc1ccc2c(c1)C[NH2+]CC2)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834495 1224646161 /nfs/dbraw/zinc/64/61/61/1224646161.db2.gz QNFPIHZNZVWQDV-UZLBHIALSA-N 2 0 359.470 0.386 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838755 1224647033 /nfs/dbraw/zinc/64/70/33/1224647033.db2.gz UFKGHHGJSOSENZ-YJLNNSPDSA-N 2 0 363.458 0.596 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219839016 1224647218 /nfs/dbraw/zinc/64/72/18/1224647218.db2.gz XCRSVUZBELVDIK-XVGQJIODSA-N 2 0 363.433 0.524 20 0 FCADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837759 1224647295 /nfs/dbraw/zinc/64/72/95/1224647295.db2.gz LQXDJKXNVRCAIT-HBFSDRIKSA-N 2 0 361.486 0.848 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219847470 1224651122 /nfs/dbraw/zinc/65/11/22/1224651122.db2.gz IIJHMTUUQDHLAR-YDZRNGNQSA-N 2 0 370.497 0.344 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ccccc21 ZINC001219852398 1224655161 /nfs/dbraw/zinc/65/51/61/1224655161.db2.gz QWZVDHWAHZYTAH-LZLXCTOHSA-N 2 0 356.470 0.789 20 0 FCADRP Cc1ccc([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)N2CCC([NH3+])CC2)cc1 ZINC001219856596 1224656132 /nfs/dbraw/zinc/65/61/32/1224656132.db2.gz SZJKHHPDINRDPR-HCXYKTFWSA-N 2 0 358.486 0.562 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000793703314 1201259183 /nfs/dbraw/zinc/25/91/83/1201259183.db2.gz UMTGXFCPONKLFV-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703548 1201259595 /nfs/dbraw/zinc/25/95/95/1201259595.db2.gz XUKDNFVZQQRVCN-YESZJQIVSA-N 2 0 368.522 0.593 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CC1 ZINC001219866924 1224661425 /nfs/dbraw/zinc/66/14/25/1224661425.db2.gz FDTNNRFSCGCPRX-FGTMMUONSA-N 2 0 365.518 0.839 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793794658 1201265750 /nfs/dbraw/zinc/26/57/50/1201265750.db2.gz MUKCHQFIYSSJFM-RDJZCZTQSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407448 1201298858 /nfs/dbraw/zinc/29/88/58/1201298858.db2.gz NLQIBYQZFALZCY-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407683 1201299091 /nfs/dbraw/zinc/29/90/91/1201299091.db2.gz SXDQOFXHPOIPAP-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412522 1201300434 /nfs/dbraw/zinc/30/04/34/1201300434.db2.gz UPJTXPQTYFXXKL-CVEARBPZSA-N 2 0 361.450 0.022 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433943 1201315394 /nfs/dbraw/zinc/31/53/94/1201315394.db2.gz ZQQIXMTYBIHDRE-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129438118 1201316712 /nfs/dbraw/zinc/31/67/12/1201316712.db2.gz OVACTVQEJZLXEK-SJORKVTESA-N 2 0 364.494 0.268 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461198 1201327784 /nfs/dbraw/zinc/32/77/84/1201327784.db2.gz QPKFTOOUAZIHQF-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001129884581 1201413211 /nfs/dbraw/zinc/41/32/11/1201413211.db2.gz OSJODPQQHCNNHY-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894513 1201428690 /nfs/dbraw/zinc/42/86/90/1201428690.db2.gz IGPMJHIGGQMSCL-OAGGEKHMSA-N 2 0 364.494 0.265 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899934 1201433157 /nfs/dbraw/zinc/43/31/57/1201433157.db2.gz SJKOYYGELDEPND-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129943137 1201439281 /nfs/dbraw/zinc/43/92/81/1201439281.db2.gz OACAHOBATFPHNQ-IXDOHACOSA-N 2 0 364.469 0.854 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898202 1224673918 /nfs/dbraw/zinc/67/39/18/1224673918.db2.gz HILYNVXNZYVINY-KGLIPLIRSA-N 2 0 362.409 0.165 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980545 1201461032 /nfs/dbraw/zinc/46/10/32/1201461032.db2.gz MYELNAVSRGLNBP-NXOAAHMSSA-N 2 0 364.494 0.386 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2n2ccnn2)c1 ZINC001129984884 1201463576 /nfs/dbraw/zinc/46/35/76/1201463576.db2.gz HKQIOSCWMNWLNI-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985034 1201464473 /nfs/dbraw/zinc/46/44/73/1201464473.db2.gz MTAILNJWFKYNAO-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991925 1201470660 /nfs/dbraw/zinc/47/06/60/1201470660.db2.gz CRGPPNKIZYINHM-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012085 1201471071 /nfs/dbraw/zinc/47/10/71/1201471071.db2.gz NVSHTIGDEQWWOV-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006231 1201476261 /nfs/dbraw/zinc/47/62/61/1201476261.db2.gz YRTJRTYKDDWBKF-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130034603 1201482324 /nfs/dbraw/zinc/48/23/24/1201482324.db2.gz UEDFGXOGJAWEES-IMJJTQAJSA-N 2 0 361.450 0.258 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130088670 1201496574 /nfs/dbraw/zinc/49/65/74/1201496574.db2.gz CXSYSZBWCVSZQP-ZBFHGGJFSA-N 2 0 361.425 0.754 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2n2ccnn2)c1 ZINC001130137372 1201515535 /nfs/dbraw/zinc/51/55/35/1201515535.db2.gz WBPDIOACJQFEHE-MSOLQXFVSA-N 2 0 371.489 0.863 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140534 1201515903 /nfs/dbraw/zinc/51/59/03/1201515903.db2.gz YYVVEKSTNMPARP-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001130140514 1201516216 /nfs/dbraw/zinc/51/62/16/1201516216.db2.gz YBWYFLOBOOBUON-IKGGRYGDSA-N 2 0 364.494 0.122 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919606 1224680448 /nfs/dbraw/zinc/68/04/48/1224680448.db2.gz FLYZCMGUFMNIQC-MSOLQXFVSA-N 2 0 364.490 0.886 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919519 1224680532 /nfs/dbraw/zinc/68/05/32/1224680532.db2.gz AVTWBTFQAZXFIF-MSOLQXFVSA-N 2 0 362.474 0.638 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130246686 1201566559 /nfs/dbraw/zinc/56/65/59/1201566559.db2.gz MUFIZZSTUDJKIL-KKUMJFAQSA-N 2 0 364.494 0.633 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)c2)CC1 ZINC001219959262 1224701761 /nfs/dbraw/zinc/70/17/61/1224701761.db2.gz OSJDMCPLYCDYHF-IBGZPJMESA-N 3 0 371.529 0.929 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022445 1224730705 /nfs/dbraw/zinc/73/07/05/1224730705.db2.gz HOEWDBLBWYQMAK-KRWDZBQOSA-N 2 0 362.474 0.377 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045218 1224735828 /nfs/dbraw/zinc/73/58/28/1224735828.db2.gz QRHMATAYSNJLKR-KBPBESRZSA-N 2 0 363.462 0.200 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130605215 1202733306 /nfs/dbraw/zinc/73/33/06/1202733306.db2.gz ZLCNVBPUIJHZCT-CGTJXYLNSA-N 2 0 363.506 0.825 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000806501821 1202743094 /nfs/dbraw/zinc/74/30/94/1202743094.db2.gz GHKPAOKPPAPGOY-WBVHZDCISA-N 2 0 359.474 0.719 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654280 1202743695 /nfs/dbraw/zinc/74/36/95/1202743695.db2.gz CYDLBQKWASVPFQ-YQQAZPJKSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1 ZINC001130657061 1202748717 /nfs/dbraw/zinc/74/87/17/1202748717.db2.gz XIQLUNGSXNMVPN-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130661836 1202750002 /nfs/dbraw/zinc/75/00/02/1202750002.db2.gz BHQGOBKUSRAKCZ-CGTJXYLNSA-N 2 0 365.522 0.927 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001130669295 1202751083 /nfs/dbraw/zinc/75/10/83/1202751083.db2.gz DZIZDSZWJGZFER-DOTOQJQBSA-N 2 0 359.478 0.153 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)cn1 ZINC001130670243 1202751894 /nfs/dbraw/zinc/75/18/94/1202751894.db2.gz SPLYFNLMVIPCNB-FUHWJXTLSA-N 2 0 371.489 0.554 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672298 1202752458 /nfs/dbraw/zinc/75/24/58/1202752458.db2.gz LWNZRBSKOBIGKK-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCO)C2)CC1 ZINC001130704492 1202756466 /nfs/dbraw/zinc/75/64/66/1202756466.db2.gz QOKJQHDWZIYWID-FUHWJXTLSA-N 2 0 363.506 0.418 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130719665 1202766204 /nfs/dbraw/zinc/76/62/04/1202766204.db2.gz YNBFPWDNZQWQAW-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)C1CC1 ZINC001130790060 1202797819 /nfs/dbraw/zinc/79/78/19/1202797819.db2.gz GBJLFXFRAKBKJZ-GUTXKFCHSA-N 2 0 368.457 0.540 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C[NH+](C)C)CC3)n2)O1 ZINC001130802133 1202803324 /nfs/dbraw/zinc/80/33/24/1202803324.db2.gz DJILZOXYCOKFAS-UONOGXRCSA-N 2 0 364.494 0.982 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C[NH+](C)C)CC3)n2)O1 ZINC001130802242 1202803456 /nfs/dbraw/zinc/80/34/56/1202803456.db2.gz JQCFPHBSOCCLRJ-UONOGXRCSA-N 2 0 364.494 0.981 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010291 1202844233 /nfs/dbraw/zinc/84/42/33/1202844233.db2.gz HWKWPGPRAPHIIS-HZPDHXFCSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001131059777 1202853578 /nfs/dbraw/zinc/85/35/78/1202853578.db2.gz IHQXAEWJXOSJEQ-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)ncn1 ZINC001131062128 1202854228 /nfs/dbraw/zinc/85/42/28/1202854228.db2.gz XTCMRLCDZWOKOJ-IAGOWNOFSA-N 2 0 371.489 0.554 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068268 1202855789 /nfs/dbraw/zinc/85/57/89/1202855789.db2.gz WWAKKHRBAXOUND-NVXWUHKLSA-N 2 0 371.489 0.554 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)cn1 ZINC001131067907 1202855840 /nfs/dbraw/zinc/85/58/40/1202855840.db2.gz ARXLFNZVVKLDIY-IAGOWNOFSA-N 2 0 371.489 0.554 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108015 1202864012 /nfs/dbraw/zinc/86/40/12/1202864012.db2.gz GDZXWIDNFDGXKF-BZUAXINKSA-N 2 0 369.485 0.630 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120943 1202865850 /nfs/dbraw/zinc/86/58/50/1202865850.db2.gz DSBLZJYBRKUIGK-BRWVUGGUSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131121461 1202865992 /nfs/dbraw/zinc/86/59/92/1202865992.db2.gz UOUYIBSJFNMUTQ-GVDBMIGSSA-N 2 0 363.506 0.561 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131128206 1202868235 /nfs/dbraw/zinc/86/82/35/1202868235.db2.gz WPWMTUNTKWQPBE-GVDBMIGSSA-N 2 0 363.506 0.561 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131132414 1202869855 /nfs/dbraw/zinc/86/98/55/1202869855.db2.gz JUEUMLLRFSKLTR-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1 ZINC001131313595 1202887850 /nfs/dbraw/zinc/88/78/50/1202887850.db2.gz XAWFQYKWUXHCHI-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP Cn1cnnc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555448 1202913427 /nfs/dbraw/zinc/91/34/27/1202913427.db2.gz GKBJJSSYLMAEHK-QAPCUYQASA-N 2 0 364.494 0.253 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1)C(N)=O ZINC001131587809 1202916177 /nfs/dbraw/zinc/91/61/77/1202916177.db2.gz AXCXHDRGTVJIFD-NUJGCVRESA-N 2 0 368.522 0.578 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131582981 1202918118 /nfs/dbraw/zinc/91/81/18/1202918118.db2.gz JNVQHKPZTHOUSW-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131596948 1202919292 /nfs/dbraw/zinc/91/92/92/1202919292.db2.gz CAJKABFWUALGCK-SCTDSRPQSA-N 2 0 371.522 0.321 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086694394 1202967191 /nfs/dbraw/zinc/96/71/91/1202967191.db2.gz PXCFYGAEMJESFC-BBWFWOEESA-N 2 0 365.522 0.759 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086699049 1202974100 /nfs/dbraw/zinc/97/41/00/1202974100.db2.gz QOGLDSAVZNYXJY-ZNMIVQPWSA-N 2 0 364.494 0.197 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001086699769 1202974670 /nfs/dbraw/zinc/97/46/70/1202974670.db2.gz FVYMFQUJGBOJIF-HLPPOEQASA-N 2 0 361.494 0.723 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086700157 1202974787 /nfs/dbraw/zinc/97/47/87/1202974787.db2.gz APASFSDPEWVGCA-QKPAOTATSA-N 2 0 363.510 0.798 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327209 1202993383 /nfs/dbraw/zinc/99/33/83/1202993383.db2.gz YZQHLEKYIUILJN-JSGCOSHPSA-N 2 0 373.457 0.454 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086744815 1203068480 /nfs/dbraw/zinc/06/84/80/1203068480.db2.gz MNWWCSBEIZEQBN-JKSUJKDBSA-N 2 0 363.506 0.515 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086758937 1203082240 /nfs/dbraw/zinc/08/22/40/1203082240.db2.gz FYIZGLZIJMPZFC-GXTWGEPZSA-N 2 0 354.418 0.546 20 0 FCADRP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086784980 1203092083 /nfs/dbraw/zinc/09/20/83/1203092083.db2.gz DORFKAMCEOLOJU-ZMSDIMECSA-N 2 0 365.478 0.862 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC001086784911 1203092689 /nfs/dbraw/zinc/09/26/89/1203092689.db2.gz APSAGHDWKHAOFO-BBWFWOEESA-N 2 0 361.490 0.960 20 0 FCADRP C[C@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863209 1203101755 /nfs/dbraw/zinc/10/17/55/1203101755.db2.gz TVOJHQHZUMLMSB-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001170869416 1203106179 /nfs/dbraw/zinc/10/61/79/1203106179.db2.gz BSHJDTAKUQUUNJ-IUODEOHRSA-N 2 0 358.446 0.988 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817927186 1203124599 /nfs/dbraw/zinc/12/45/99/1203124599.db2.gz ZCKPQYQJZIZFTG-FUHWJXTLSA-N 2 0 360.502 0.815 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000817926262 1203126679 /nfs/dbraw/zinc/12/66/79/1203126679.db2.gz CLXGESZUVGTDEL-OAQYLSRUSA-N 2 0 372.513 0.831 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000817926243 1203126696 /nfs/dbraw/zinc/12/66/96/1203126696.db2.gz BUNHYOJMFHAXBM-FQEVSTJZSA-N 2 0 360.502 0.817 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000817926261 1203126782 /nfs/dbraw/zinc/12/67/82/1203126782.db2.gz CLXGESZUVGTDEL-NRFANRHFSA-N 2 0 372.513 0.831 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000817953432 1203127929 /nfs/dbraw/zinc/12/79/29/1203127929.db2.gz ONIYPFIPORVTNG-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000817953174 1203127998 /nfs/dbraw/zinc/12/79/98/1203127998.db2.gz OBMJPHZAZXFKMK-FQEVSTJZSA-N 2 0 358.486 0.919 20 0 FCADRP CON(C)C(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819040891 1203148493 /nfs/dbraw/zinc/14/84/93/1203148493.db2.gz PDVHPEDWDWJCSQ-QGZVFWFLSA-N 2 0 362.474 0.883 20 0 FCADRP Cc1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=O)n(-c2ccccc2)n1C ZINC001220110988 1224770796 /nfs/dbraw/zinc/77/07/96/1224770796.db2.gz GCTSMYUSZNGGLF-MRXNPFEDSA-N 2 0 372.473 0.173 20 0 FCADRP CCc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001090551963 1203215226 /nfs/dbraw/zinc/21/52/26/1203215226.db2.gz JEMVAXKEDQCEJM-ARFHVFGLSA-N 2 0 361.490 0.888 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CCO2)CC1 ZINC000825387368 1203314618 /nfs/dbraw/zinc/31/46/18/1203314618.db2.gz OPKZPQAZXPFUGK-OAHLLOKOSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000825388111 1203314693 /nfs/dbraw/zinc/31/46/93/1203314693.db2.gz XJRPGUNAJHEYLS-RKVPGOIHSA-N 2 0 360.502 0.956 20 0 FCADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000844191256 1203338621 /nfs/dbraw/zinc/33/86/21/1203338621.db2.gz VKJSATVGFGIDAY-GOSISDBHSA-N 2 0 361.490 0.479 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001220230331 1224810962 /nfs/dbraw/zinc/81/09/62/1224810962.db2.gz BDSRYOPJRSCSNJ-KURKYZTESA-N 2 0 361.486 0.093 20 0 FCADRP CCOC(CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])OCC ZINC001220231174 1224810992 /nfs/dbraw/zinc/81/09/92/1224810992.db2.gz XFUAKHAWSHZMNM-GJZGRUSLSA-N 2 0 372.510 0.339 20 0 FCADRP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220236984 1224812389 /nfs/dbraw/zinc/81/23/89/1224812389.db2.gz MKBTZQIFYMRHJJ-QRVBRYPASA-N 2 0 363.502 0.786 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220238067 1224813290 /nfs/dbraw/zinc/81/32/90/1224813290.db2.gz LJNPQVDJIJVRIA-KSZLIROESA-N 2 0 367.465 0.232 20 0 FCADRP COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220296583 1224822526 /nfs/dbraw/zinc/82/25/26/1224822526.db2.gz SIUYEKQAOGEPLJ-HNAYVOBHSA-N 2 0 370.453 0.567 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315863 1224827307 /nfs/dbraw/zinc/82/73/07/1224827307.db2.gz JOCITXYENPPDPZ-SQGPQFPESA-N 2 0 360.502 0.909 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001091039234 1204453762 /nfs/dbraw/zinc/45/37/62/1204453762.db2.gz UJLCFCPLHUGMHY-SJJHQCBESA-N 2 0 366.506 0.060 20 0 FCADRP N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC[NH2+]C1 ZINC001220356703 1224841533 /nfs/dbraw/zinc/84/15/33/1224841533.db2.gz CXJZLPXAFHTGTB-GPMSIDNRSA-N 2 0 360.458 0.253 20 0 FCADRP C[NH2+][C@H](C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H](C)O ZINC001220358777 1224842481 /nfs/dbraw/zinc/84/24/81/1224842481.db2.gz XOOCECXFVPLRDD-SIXLDLHFSA-N 2 0 363.458 0.531 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)cc1=O ZINC001091531909 1204702308 /nfs/dbraw/zinc/70/23/08/1204702308.db2.gz YQTTZODLUCWUEV-UWVAXJGDSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666877 1204812869 /nfs/dbraw/zinc/81/28/69/1204812869.db2.gz JOLMCHNZZDGRIW-SYNHAJSKSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)CC1 ZINC001091679621 1204818860 /nfs/dbraw/zinc/81/88/60/1204818860.db2.gz HDMBGAXYJZFRRP-XSYGEPLQSA-N 2 0 365.518 0.506 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001091674872 1204819355 /nfs/dbraw/zinc/81/93/55/1204819355.db2.gz XYHZTKQLJGYWON-QINHECLXSA-N 2 0 362.518 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091682971 1204821201 /nfs/dbraw/zinc/82/12/01/1204821201.db2.gz AECNUBVNZZQZTI-VIPLHTEESA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091684822 1204821815 /nfs/dbraw/zinc/82/18/15/1204821815.db2.gz RUAXKHHMBRETLZ-YZLZLFLDSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087006308 1204895198 /nfs/dbraw/zinc/89/51/98/1204895198.db2.gz UPBLVNVCLDXUKH-JKSUJKDBSA-N 2 0 358.446 0.071 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001087011060 1204898096 /nfs/dbraw/zinc/89/80/96/1204898096.db2.gz CHESFTYWQOLUDI-KSZLIROESA-N 2 0 363.506 0.417 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087055760 1204935092 /nfs/dbraw/zinc/93/50/92/1204935092.db2.gz BHVAWZFPHNWWMD-XLNGHYISSA-N 2 0 365.478 0.753 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087059827 1204943807 /nfs/dbraw/zinc/94/38/07/1204943807.db2.gz XCLCLCMUMLGLGO-INMHGKMJSA-N 2 0 364.494 0.406 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059498 1204944537 /nfs/dbraw/zinc/94/45/37/1204944537.db2.gz IZOLOMROVFTFMW-SJLPKXTDSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087061093 1204948010 /nfs/dbraw/zinc/94/80/10/1204948010.db2.gz NLXCRYGHSVIDKV-KURKYZTESA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087071820 1204960736 /nfs/dbraw/zinc/96/07/36/1204960736.db2.gz FDHTUGANMVLYFU-GDBMZVCRSA-N 2 0 365.478 0.897 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083738 1204971024 /nfs/dbraw/zinc/97/10/24/1204971024.db2.gz QMYNFEXEGTYSFD-YSVLISHTSA-N 2 0 365.478 0.815 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083366 1204971150 /nfs/dbraw/zinc/97/11/50/1204971150.db2.gz BABGOBTZTBEDIB-BZUAXINKSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083846 1204971875 /nfs/dbraw/zinc/97/18/75/1204971875.db2.gz VMBHUVZCMQOFME-LZLYRXPVSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087089567 1204978280 /nfs/dbraw/zinc/97/82/80/1204978280.db2.gz WJJSCAMDJGEVSW-IXDOHACOSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087081076 1204992953 /nfs/dbraw/zinc/99/29/53/1204992953.db2.gz UHNAEEHSLHYKIX-DJIMGWMZSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087100743 1204997099 /nfs/dbraw/zinc/99/70/99/1204997099.db2.gz BLULYUMCQWACIG-JFIYKMOQSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087102717 1205000482 /nfs/dbraw/zinc/00/04/82/1205000482.db2.gz SBZWLNQWNKYHOQ-IXDOHACOSA-N 2 0 366.506 0.204 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087096380 1205003522 /nfs/dbraw/zinc/00/35/22/1205003522.db2.gz KIXBRKROPTZKPN-LZLYRXPVSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087096615 1205004237 /nfs/dbraw/zinc/00/42/37/1205004237.db2.gz VBSHTIRZIINGBW-BZUAXINKSA-N 2 0 364.494 0.408 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910335 1205069252 /nfs/dbraw/zinc/06/92/52/1205069252.db2.gz SLAAMBZJJDPVOY-QINHECLXSA-N 2 0 362.518 0.872 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC1 ZINC001092129374 1205168817 /nfs/dbraw/zinc/16/88/17/1205168817.db2.gz JDESVYBLQIARQG-UZLBHIALSA-N 2 0 362.518 0.777 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092130622 1205169371 /nfs/dbraw/zinc/16/93/71/1205169371.db2.gz DKRDPCXQSQBLBJ-MJGOQNOKSA-N 2 0 360.506 0.790 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301356 1205234571 /nfs/dbraw/zinc/23/45/71/1205234571.db2.gz FKMXKHUCBMPUGS-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)O1 ZINC001220481633 1224887431 /nfs/dbraw/zinc/88/74/31/1224887431.db2.gz MBOABNWUFBOSDL-DLVXIWMQSA-N 2 0 372.469 0.946 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220491758 1224891251 /nfs/dbraw/zinc/89/12/51/1224891251.db2.gz CUKZNTZAZHLFOB-AKHDSKFASA-N 2 0 370.497 0.629 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccc(O[C@@H]3CC[NH2+]C3)c2)CC[NH2+]C1 ZINC001220525388 1224906576 /nfs/dbraw/zinc/90/65/76/1224906576.db2.gz AXMIKINTSUMVGF-OAHLLOKOSA-N 2 0 359.426 0.968 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)C1 ZINC001220527425 1224907212 /nfs/dbraw/zinc/90/72/12/1224907212.db2.gz JBEJNTGZVVKUIE-BEFAXECRSA-N 2 0 355.486 0.980 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911645 1205940535 /nfs/dbraw/zinc/94/05/35/1205940535.db2.gz WGLUNHYDCNTUMQ-BFYDXBDKSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093223441 1206062110 /nfs/dbraw/zinc/06/21/10/1206062110.db2.gz ZDJLWHQUDHBZQF-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1=O ZINC001093674216 1206099791 /nfs/dbraw/zinc/09/97/91/1206099791.db2.gz CEFZNKOQLBHVNB-IIAWOOMASA-N 2 0 363.458 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093856804 1206132056 /nfs/dbraw/zinc/13/20/56/1206132056.db2.gz FVXVWIBTNSJPNW-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093864122 1206136699 /nfs/dbraw/zinc/13/66/99/1206136699.db2.gz FOLNYPQEXKFTSQ-RBSFLKMASA-N 2 0 365.478 0.884 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2cccnc2)CC1 ZINC001220560386 1224930989 /nfs/dbraw/zinc/93/09/89/1224930989.db2.gz FZSWVYFNRVMMNQ-HOTGVXAUSA-N 2 0 359.474 0.634 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)c1nnnn1C ZINC001093890820 1206145388 /nfs/dbraw/zinc/14/53/88/1206145388.db2.gz VDGCMRZBNBELIT-RBSFLKMASA-N 2 0 361.494 0.584 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093998038 1206166480 /nfs/dbraw/zinc/16/64/80/1206166480.db2.gz HTZHLFJNYFBHST-UKRRQHHQSA-N 2 0 360.462 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094219181 1206202869 /nfs/dbraw/zinc/20/28/69/1206202869.db2.gz GAHMHOAMKILRNW-HZSPNIEDSA-N 2 0 370.448 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094220922 1206203051 /nfs/dbraw/zinc/20/30/51/1206203051.db2.gz DTZDQHLJECXEAF-GDBMZVCRSA-N 2 0 360.506 0.972 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094238591 1206209655 /nfs/dbraw/zinc/20/96/55/1206209655.db2.gz XBGFUCKFYOJQGN-OLMNPRSZSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094241584 1206209721 /nfs/dbraw/zinc/20/97/21/1206209721.db2.gz QLQOFZHUFPBCAA-QGPMSJSTSA-N 2 0 358.486 0.934 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+]1CCCC1 ZINC001094242323 1206210008 /nfs/dbraw/zinc/21/00/08/1206210008.db2.gz JFJLWVYKRPLTHB-BFYDXBDKSA-N 2 0 363.510 0.515 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039490 1206255691 /nfs/dbraw/zinc/25/56/91/1206255691.db2.gz IRJFUHPIPGOLRM-BRWVUGGUSA-N 2 0 366.506 0.108 20 0 FCADRP CN1[C@H]2COC[C@@H]1CC([N@@H+]1CCc3ccc(=O)n(CC[NH+](C)C)c3CC1)C2 ZINC001172136211 1206257391 /nfs/dbraw/zinc/25/73/91/1206257391.db2.gz BZVODHTWDHPSTI-YQQQUEKLSA-N 2 0 374.529 0.672 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172226159 1206259558 /nfs/dbraw/zinc/25/95/58/1206259558.db2.gz YHISIJBPNOFRDA-AYHJJNSGSA-N 2 0 364.534 0.867 20 0 FCADRP CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177705347 1206345218 /nfs/dbraw/zinc/34/52/18/1206345218.db2.gz OMZPTMGYERSNRE-LBPRGKRZSA-N 2 0 367.454 0.237 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178518155 1206358293 /nfs/dbraw/zinc/35/82/93/1206358293.db2.gz HUFRGXNKKBTTEI-HUUCEWRRSA-N 2 0 369.510 0.439 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001178588926 1206359933 /nfs/dbraw/zinc/35/99/33/1206359933.db2.gz XODYQWGVEKHATD-CYBMUJFWSA-N 2 0 371.482 0.686 20 0 FCADRP C[C@H]1C[C@@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001178565271 1206360111 /nfs/dbraw/zinc/36/01/11/1206360111.db2.gz VYOVNFHYRAWDDS-ZDXZYRICSA-N 2 0 371.522 0.938 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)n3ccc(C[NH3+])cc3=N)CC2)CC1 ZINC001179015373 1206371124 /nfs/dbraw/zinc/37/11/24/1206371124.db2.gz XABVVXVUQLGWHM-UHFFFAOYSA-N 2 0 359.474 0.789 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220578626 1224945843 /nfs/dbraw/zinc/94/58/43/1224945843.db2.gz LEFMIMSAUCKWDQ-SJORKVTESA-N 2 0 370.538 0.383 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220585002 1224950211 /nfs/dbraw/zinc/95/02/11/1224950211.db2.gz SRNWLSUVZZOLKV-MSOLQXFVSA-N 2 0 361.486 0.667 20 0 FCADRP O=C(N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)C12CC[NH+](CC1)CC2 ZINC001181549674 1206410594 /nfs/dbraw/zinc/41/05/94/1206410594.db2.gz SPFUZSCDOTYDKC-YESZJQIVSA-N 2 0 371.485 0.920 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C ZINC001181863600 1206416628 /nfs/dbraw/zinc/41/66/28/1206416628.db2.gz PEMSMDHFBKIDNH-GFCCVEGCSA-N 2 0 369.466 0.976 20 0 FCADRP C[NH+]1CCC(C)(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC1 ZINC001181987652 1206418492 /nfs/dbraw/zinc/41/84/92/1206418492.db2.gz USIHSHXBBCSPLQ-UHFFFAOYSA-N 2 0 361.490 0.675 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001182012280 1206419562 /nfs/dbraw/zinc/41/95/62/1206419562.db2.gz JCDJMGLEGQPYCC-XLAORIBOSA-N 2 0 371.485 0.776 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001182654257 1206441420 /nfs/dbraw/zinc/44/14/20/1206441420.db2.gz HQRZBACKUBWTMZ-BZUAXINKSA-N 2 0 359.474 0.433 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001182654242 1206441592 /nfs/dbraw/zinc/44/15/92/1206441592.db2.gz GWRAZBXFVKDKKY-WCXIOVBPSA-N 2 0 362.474 0.352 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cc(C)no3)C2)CC[N@@H+]1C ZINC001182693117 1206442111 /nfs/dbraw/zinc/44/21/11/1206442111.db2.gz SHKMQSXICVIMPZ-QLFBSQMISA-N 2 0 363.462 0.842 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COCCN1Cc1ccccc1 ZINC001184022563 1206463412 /nfs/dbraw/zinc/46/34/12/1206463412.db2.gz ZGNPOSOQKJYDLB-QGZVFWFLSA-N 2 0 361.490 0.951 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001185258874 1206477968 /nfs/dbraw/zinc/47/79/68/1206477968.db2.gz ZLFUFDOVTSKUSY-SFHVURJKSA-N 2 0 368.485 0.961 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001185784285 1206485508 /nfs/dbraw/zinc/48/55/08/1206485508.db2.gz RYKRNDFSRIRDTH-QRVBRYPASA-N 2 0 361.486 0.531 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001220642687 1224982306 /nfs/dbraw/zinc/98/23/06/1224982306.db2.gz IMPFRURECFWDON-FGTMMUONSA-N 2 0 369.506 0.074 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001220651458 1224990887 /nfs/dbraw/zinc/99/08/87/1224990887.db2.gz LACDFLKLPCNUED-OXJNMPFZSA-N 2 0 358.486 0.871 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220651308 1224990956 /nfs/dbraw/zinc/99/09/56/1224990956.db2.gz JLLYYXQAELKKFG-KRWDZBQOSA-N 3 0 357.502 0.587 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001220652111 1224991857 /nfs/dbraw/zinc/99/18/57/1224991857.db2.gz VJLNFLVAASYIOV-QGZVFWFLSA-N 2 0 358.486 0.871 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654530 1224993820 /nfs/dbraw/zinc/99/38/20/1224993820.db2.gz XHGTVWJSTCYEHJ-KSSFIOAISA-N 2 0 361.490 0.202 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220654230 1224994837 /nfs/dbraw/zinc/99/48/37/1224994837.db2.gz KAOASEBIOGNNPU-ICSRJNTNSA-N 2 0 371.529 0.929 20 0 FCADRP CCCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188314066 1207443237 /nfs/dbraw/zinc/44/32/37/1207443237.db2.gz FNJCJYOJRIFVSG-RRFJBIMHSA-N 2 0 367.494 0.095 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001188382992 1207449034 /nfs/dbraw/zinc/44/90/34/1207449034.db2.gz LRHCMYINAFXJQI-IXDOHACOSA-N 2 0 362.474 0.641 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118259 1207502800 /nfs/dbraw/zinc/50/28/00/1207502800.db2.gz TVWLSVUOAWHQKI-YESZJQIVSA-N 2 0 365.522 0.711 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001189135016 1207510754 /nfs/dbraw/zinc/51/07/54/1207510754.db2.gz JGMDVGCPFPPXRS-DLBZAZTESA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189811180 1207603906 /nfs/dbraw/zinc/60/39/06/1207603906.db2.gz VKEANMISRBUTMG-YESZJQIVSA-N 2 0 366.506 0.014 20 0 FCADRP CCC(C)(C)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802381 1207610046 /nfs/dbraw/zinc/61/00/46/1207610046.db2.gz XHXZETHMCCQSEB-JKSUJKDBSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801727 1207610683 /nfs/dbraw/zinc/61/06/83/1207610683.db2.gz JZBRUXRDVGBGAH-OKZBNKHCSA-N 2 0 363.502 0.811 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190324316 1207676192 /nfs/dbraw/zinc/67/61/92/1207676192.db2.gz KFWQXYOQVHSFNR-ARFHVFGLSA-N 2 0 362.474 0.200 20 0 FCADRP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068579 1207856651 /nfs/dbraw/zinc/85/66/51/1207856651.db2.gz WABMYHVNTHDGFQ-XXCOWLKOSA-N 2 0 363.506 0.966 20 0 FCADRP CCc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193446951 1207872719 /nfs/dbraw/zinc/87/27/19/1207872719.db2.gz FDEKNPXGUSVYFE-USXIJHARSA-N 2 0 370.469 0.887 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001193928832 1207895984 /nfs/dbraw/zinc/89/59/84/1207895984.db2.gz ARBJLUOBGXPMCR-QRVBRYPASA-N 2 0 363.502 0.985 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892266 1207896967 /nfs/dbraw/zinc/89/69/67/1207896967.db2.gz HQFCPASOKGLUDN-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c2)CC1 ZINC001193943929 1207904681 /nfs/dbraw/zinc/90/46/81/1207904681.db2.gz LKOQKQUHWHOFSF-UHFFFAOYSA-N 2 0 373.501 0.770 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289237 1207934689 /nfs/dbraw/zinc/93/46/89/1207934689.db2.gz FLYZCMGUFMNIQC-QZTJIDSGSA-N 2 0 364.490 0.886 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CC1 ZINC001194728473 1207973926 /nfs/dbraw/zinc/97/39/26/1207973926.db2.gz ABTUSDWFHGHKIZ-KZNAEPCWSA-N 2 0 358.442 0.924 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001195661642 1208034596 /nfs/dbraw/zinc/03/45/96/1208034596.db2.gz SMZFRCAHLIAMKF-QZTJIDSGSA-N 2 0 360.502 0.756 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001195859717 1208041870 /nfs/dbraw/zinc/04/18/70/1208041870.db2.gz NMTCUVSVLHAVRL-QZTJIDSGSA-N 2 0 357.458 0.485 20 0 FCADRP C[C@H](C(=O)N(C)C1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869446 1208045036 /nfs/dbraw/zinc/04/50/36/1208045036.db2.gz DEPWACQXPBKWBW-DJIMGWMZSA-N 2 0 368.522 0.279 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001196167325 1208062921 /nfs/dbraw/zinc/06/29/21/1208062921.db2.gz DFXUEHQWSLMNMG-GVDBMIGSSA-N 2 0 364.494 0.094 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197058662 1208132375 /nfs/dbraw/zinc/13/23/75/1208132375.db2.gz VYJAGASHCIQNFF-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)C3(N)CC[NH2+]CC3)CC2)cc1 ZINC001220743537 1225048336 /nfs/dbraw/zinc/04/83/36/1225048336.db2.gz GPRPTFVYNIAYCX-UHFFFAOYSA-N 2 0 360.502 0.899 20 0 FCADRP CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826177 1208201486 /nfs/dbraw/zinc/20/14/86/1208201486.db2.gz PEFAFYHUPWWTIX-RTBURBONSA-N 2 0 363.502 0.531 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699352 1208278966 /nfs/dbraw/zinc/27/89/66/1208278966.db2.gz OFTOYBQRMIWKKK-BHIYHBOVSA-N 2 0 361.486 0.625 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729384 1208284242 /nfs/dbraw/zinc/28/42/42/1208284242.db2.gz MSDYFEFKGBSIKJ-QZTJIDSGSA-N 2 0 363.506 0.390 20 0 FCADRP Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199071120 1208315810 /nfs/dbraw/zinc/31/58/10/1208315810.db2.gz JFTJZHNKZVNTGW-HZPDHXFCSA-N 2 0 365.478 0.348 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC001199349416 1208339156 /nfs/dbraw/zinc/33/91/56/1208339156.db2.gz HHHREDHUGCDZBB-CRAIPNDOSA-N 2 0 362.474 0.957 20 0 FCADRP C[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001691705694 1208437934 /nfs/dbraw/zinc/43/79/34/1208437934.db2.gz AMFQHMDKDCEINK-ZVDSWSACSA-N 2 0 359.536 0.492 20 0 FCADRP COC(=O)c1cnc2n(-c3cc[nH+]c(N4CC[NH+](C)CC4)c3)cnc(N)c1-2 ZINC001201658860 1208462039 /nfs/dbraw/zinc/46/20/39/1208462039.db2.gz KRUBCZKSGKCTKE-UHFFFAOYSA-N 2 0 367.413 0.888 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488829634 1208556044 /nfs/dbraw/zinc/55/60/44/1208556044.db2.gz YPTWIDTXKWJVLF-AIEDFZFUSA-N 2 0 367.494 0.045 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488829635 1208556429 /nfs/dbraw/zinc/55/64/29/1208556429.db2.gz YPTWIDTXKWJVLF-KJWHEZOQSA-N 2 0 367.494 0.045 20 0 FCADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220794474 1225077413 /nfs/dbraw/zinc/07/74/13/1225077413.db2.gz QDLAQOJJFSIFNC-CRAIPNDOSA-N 2 0 367.457 0.362 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)c1cccnc1N1CC[NH2+]CC1 ZINC001220793821 1225078206 /nfs/dbraw/zinc/07/82/06/1225078206.db2.gz IKNKXXWEHCYLPM-WMZOPIPTSA-N 2 0 366.469 0.967 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C[NH2+]C1 ZINC001220827511 1225092036 /nfs/dbraw/zinc/09/20/36/1225092036.db2.gz QGJUEJWTNFXKCY-JKSUJKDBSA-N 2 0 373.453 0.860 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220829508 1225093150 /nfs/dbraw/zinc/09/31/50/1225093150.db2.gz VOTWXRQVKZXGRQ-QRVBRYPASA-N 2 0 363.502 0.747 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001489589838 1209009547 /nfs/dbraw/zinc/00/95/47/1209009547.db2.gz ILVWECZNNRCZIO-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220857786 1225112051 /nfs/dbraw/zinc/11/20/51/1225112051.db2.gz RNEOLMAXHNMGAX-QZTJIDSGSA-N 2 0 350.422 0.874 20 0 FCADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1cccc2ccccc21)N(O)N=O ZINC001220903160 1225131496 /nfs/dbraw/zinc/13/14/96/1225131496.db2.gz NROGNUAADDADAP-INIZCTEOSA-N 2 0 360.418 0.374 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)c1 ZINC001220913222 1225137088 /nfs/dbraw/zinc/13/70/88/1225137088.db2.gz LTRZFBQBZLJFPB-IRXDYDNUSA-N 2 0 361.442 0.277 20 0 FCADRP NC(=O)[C@](O)(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000851739480 1209518135 /nfs/dbraw/zinc/51/81/35/1209518135.db2.gz BURNNVLJJFNJJR-FQEVSTJZSA-N 2 0 361.486 0.794 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000852184611 1209535888 /nfs/dbraw/zinc/53/58/88/1209535888.db2.gz NDEOOFQVIBNXPV-NRFANRHFSA-N 2 0 374.529 0.852 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000852749368 1209562363 /nfs/dbraw/zinc/56/23/63/1209562363.db2.gz LIUIULDLRUREOP-GVDBMIGSSA-N 2 0 366.506 0.997 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)nn1 ZINC000852796081 1209565128 /nfs/dbraw/zinc/56/51/28/1209565128.db2.gz NDBPEZCAIDPWJF-LBPRGKRZSA-N 2 0 358.402 0.398 20 0 FCADRP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)n3cc(C[NH3+])cnc3=N)ccc2O1 ZINC001220951332 1225155305 /nfs/dbraw/zinc/15/53/05/1225155305.db2.gz XUSYQHYWTFCMFP-AWEZNQCLSA-N 2 0 357.414 0.677 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cc[nH+]cc1 ZINC001110747614 1209790363 /nfs/dbraw/zinc/79/03/63/1209790363.db2.gz VKAMLZPWQMKTNI-KURKYZTESA-N 2 0 362.474 0.638 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000861543348 1209870651 /nfs/dbraw/zinc/87/06/51/1209870651.db2.gz ATHUOMKIFVCHOJ-ZDUSSCGKSA-N 2 0 363.462 0.711 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683828 1209874229 /nfs/dbraw/zinc/87/42/29/1209874229.db2.gz BDKPTBRHEQJOAA-MJGOQNOKSA-N 2 0 362.474 0.253 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986007 1225174908 /nfs/dbraw/zinc/17/49/08/1225174908.db2.gz OFTOYBQRMIWKKK-UHOSZYNNSA-N 2 0 361.486 0.625 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220984465 1225175132 /nfs/dbraw/zinc/17/51/32/1225175132.db2.gz ASCZFKBRTVCAPN-INIZCTEOSA-N 2 0 356.474 0.994 20 0 FCADRP NC(=O)c1ccc(CC[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665747 1210001054 /nfs/dbraw/zinc/00/10/54/1210001054.db2.gz GECVQAQCNQPANM-MSOLQXFVSA-N 2 0 371.485 0.548 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868228851 1210045135 /nfs/dbraw/zinc/04/51/35/1210045135.db2.gz IJCZFAJRMRKDFR-NVXWUHKLSA-N 2 0 365.522 0.665 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000868302168 1210050824 /nfs/dbraw/zinc/05/08/24/1210050824.db2.gz FPKXGUDOOKZAEJ-IYBDPMFKSA-N 2 0 373.501 0.929 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375730 1210056512 /nfs/dbraw/zinc/05/65/12/1210056512.db2.gz VRPYBTMXWOBKQB-SQNIBIBYSA-N 2 0 365.522 0.129 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000868731334 1210072748 /nfs/dbraw/zinc/07/27/48/1210072748.db2.gz GTFRHXLEKIQARH-IJZDQVLDSA-N 2 0 360.502 0.049 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000870018197 1210099392 /nfs/dbraw/zinc/09/93/92/1210099392.db2.gz WOEBZKLPHYWXMM-DUQPFJRNSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H](C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000871466666 1210157380 /nfs/dbraw/zinc/15/73/80/1210157380.db2.gz XJRPGUNAJHEYLS-MPGHIAIKSA-N 2 0 360.502 0.956 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000873102885 1210235041 /nfs/dbraw/zinc/23/50/41/1210235041.db2.gz VFGXIDWUCRWTIB-MRXNPFEDSA-N 2 0 370.457 0.214 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221073462 1225211214 /nfs/dbraw/zinc/21/12/14/1225211214.db2.gz XMYJSYNKECYPDQ-QYZOEREBSA-N 2 0 367.534 0.965 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876780080 1210429045 /nfs/dbraw/zinc/42/90/45/1210429045.db2.gz CLJFDDSYADQAER-SJORKVTESA-N 2 0 362.522 0.872 20 0 FCADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981908 1210435887 /nfs/dbraw/zinc/43/58/87/1210435887.db2.gz ZNDKTJSUFMPBHM-JJRVBVJISA-N 2 0 364.469 0.473 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001221116360 1225228035 /nfs/dbraw/zinc/22/80/35/1225228035.db2.gz XKXFVROBPIHEKK-GOSISDBHSA-N 2 0 371.529 0.893 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000130609911 1210645975 /nfs/dbraw/zinc/64/59/75/1210645975.db2.gz MRNZULAEXOVQIK-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000883333037 1210662069 /nfs/dbraw/zinc/66/20/69/1210662069.db2.gz JXJHHJCULSCSNH-GOSISDBHSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883347006 1210663435 /nfs/dbraw/zinc/66/34/35/1210663435.db2.gz KHBLYPSLWYBIEZ-SJORKVTESA-N 2 0 360.506 0.938 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439161 1210667656 /nfs/dbraw/zinc/66/76/56/1210667656.db2.gz KGSQIGCGBAFMNY-WCXIOVBPSA-N 2 0 365.474 0.829 20 0 FCADRP C[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000883458001 1210669302 /nfs/dbraw/zinc/66/93/02/1210669302.db2.gz UJERAEPGJXGZIG-JKSUJKDBSA-N 2 0 365.522 0.985 20 0 FCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883608729 1210674441 /nfs/dbraw/zinc/67/44/41/1210674441.db2.gz GEAQCPJIKIUBIV-ZQIUZPCESA-N 2 0 359.474 0.761 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883608985 1210674516 /nfs/dbraw/zinc/67/45/16/1210674516.db2.gz LSFTYZRWDHGTJZ-WMLDXEAASA-N 2 0 359.474 0.763 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883638925 1210677022 /nfs/dbraw/zinc/67/70/22/1210677022.db2.gz ADKLFWVKCGABEE-ZOBUZTSGSA-N 2 0 359.474 0.847 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC000883639273 1210677042 /nfs/dbraw/zinc/67/70/42/1210677042.db2.gz KQHSMSMPZQIQOE-BFYDXBDKSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883639093 1210677045 /nfs/dbraw/zinc/67/70/45/1210677045.db2.gz GFWARWNXPHVKIH-OAGGEKHMSA-N 2 0 357.458 0.472 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883639153 1210677322 /nfs/dbraw/zinc/67/73/22/1210677322.db2.gz HKYIGQDTAVSRAP-KXBFYZLASA-N 2 0 357.458 0.331 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000883640535 1210677485 /nfs/dbraw/zinc/67/74/85/1210677485.db2.gz RWOZOIHGBLDKLX-INIZCTEOSA-N 2 0 366.506 0.430 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000883641365 1210678291 /nfs/dbraw/zinc/67/82/91/1210678291.db2.gz NCNKPTFTGQKVBY-HNNXBMFYSA-N 2 0 359.474 0.706 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)C1 ZINC000883646643 1210678729 /nfs/dbraw/zinc/67/87/29/1210678729.db2.gz XMMASIQVQJBPTE-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1(C[NH3+])CCCCC1 ZINC000883655280 1210681039 /nfs/dbraw/zinc/68/10/39/1210681039.db2.gz ZTRJBLAXPRKZQV-MRXNPFEDSA-N 2 0 368.522 0.676 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884235587 1210725629 /nfs/dbraw/zinc/72/56/29/1210725629.db2.gz ZANOGYQRZIYUHO-KRWDZBQOSA-N 2 0 374.533 0.495 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884490893 1210739409 /nfs/dbraw/zinc/73/94/09/1210739409.db2.gz IYCVCTLPUWDRSW-SJORKVTESA-N 2 0 358.486 0.938 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884503661 1210740220 /nfs/dbraw/zinc/74/02/20/1210740220.db2.gz PXYVNTMACFVMFI-RBUKOAKNSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884514069 1210743056 /nfs/dbraw/zinc/74/30/56/1210743056.db2.gz YVRPWQBMXRNTMH-NXHRZFHOSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884532729 1210745453 /nfs/dbraw/zinc/74/54/53/1210745453.db2.gz PBVIWWKIPDCNRY-ATLSCFEFSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000884553609 1210749120 /nfs/dbraw/zinc/74/91/20/1210749120.db2.gz CQIBPKSHKGAIFW-DJIMGWMZSA-N 2 0 358.486 0.804 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884560210 1210752231 /nfs/dbraw/zinc/75/22/31/1210752231.db2.gz QPZPBEQIBBOEAE-KHYOSLBOSA-N 2 0 366.506 0.189 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)Cc2ccccc2C1 ZINC000884566966 1210752772 /nfs/dbraw/zinc/75/27/72/1210752772.db2.gz YNXXJHIHVOXLCM-RZDIXWSQSA-N 2 0 372.513 0.836 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572259 1210754742 /nfs/dbraw/zinc/75/47/42/1210754742.db2.gz JOOJOUISWVLCSW-UBDQQSCGSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577153 1210755874 /nfs/dbraw/zinc/75/58/74/1210755874.db2.gz YPFZELMUCIIFAZ-JKSUJKDBSA-N 2 0 366.506 0.109 20 0 FCADRP CCN(C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884578028 1210755944 /nfs/dbraw/zinc/75/59/44/1210755944.db2.gz RCDJEAWUXBQDAS-GOSISDBHSA-N 2 0 358.486 0.761 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601916 1210759782 /nfs/dbraw/zinc/75/97/82/1210759782.db2.gz YWSZYOVQYZHLKN-KURKYZTESA-N 2 0 356.470 0.588 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000884625835 1210765579 /nfs/dbraw/zinc/76/55/79/1210765579.db2.gz UFOGEJHHMBSTSZ-HNNXBMFYSA-N 2 0 368.428 0.725 20 0 FCADRP [NH3+][C@@H](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627634 1210767137 /nfs/dbraw/zinc/76/71/37/1210767137.db2.gz WSENSWGJCJELCI-SJORKVTESA-N 2 0 358.486 0.663 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000884641066 1210770386 /nfs/dbraw/zinc/77/03/86/1210770386.db2.gz ZFJMLMJSCKNDSD-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000884647737 1210772557 /nfs/dbraw/zinc/77/25/57/1210772557.db2.gz KHJSHEHIKWBKEP-QZTJIDSGSA-N 2 0 358.486 0.760 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884652987 1210772903 /nfs/dbraw/zinc/77/29/03/1210772903.db2.gz NDNDPMQFGBWNRE-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884656322 1210772943 /nfs/dbraw/zinc/77/29/43/1210772943.db2.gz BZCRKVXNUQMEID-HOTGVXAUSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000884661732 1210773912 /nfs/dbraw/zinc/77/39/12/1210773912.db2.gz ZHUKOGLKFIMDGZ-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884669792 1210775993 /nfs/dbraw/zinc/77/59/93/1210775993.db2.gz HAPREJGXKATXAT-HRCADAONSA-N 2 0 364.490 0.004 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675062 1210776637 /nfs/dbraw/zinc/77/66/37/1210776637.db2.gz QSUXYHHDGALLGK-APWZRJJASA-N 2 0 372.513 0.987 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675063 1210777156 /nfs/dbraw/zinc/77/71/56/1210777156.db2.gz QSUXYHHDGALLGK-LPHOPBHVSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678814 1210779138 /nfs/dbraw/zinc/77/91/38/1210779138.db2.gz MWUXVEVUWMTVCA-ZTFGCOKTSA-N 2 0 358.486 0.724 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000884698806 1210784084 /nfs/dbraw/zinc/78/40/84/1210784084.db2.gz SPZHIENQZPCCBG-DOTOQJQBSA-N 2 0 362.474 0.023 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706604 1210784462 /nfs/dbraw/zinc/78/44/62/1210784462.db2.gz IIFDZNWEJXRXJV-JKSUJKDBSA-N 2 0 368.522 0.940 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000884723530 1210789527 /nfs/dbraw/zinc/78/95/27/1210789527.db2.gz PBTSPYMRMGLAIH-HNNXBMFYSA-N 2 0 357.458 0.545 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000884775670 1210793404 /nfs/dbraw/zinc/79/34/04/1210793404.db2.gz IMENAZFCHSWTIN-GBESFXJTSA-N 2 0 370.497 0.950 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000884790007 1210795848 /nfs/dbraw/zinc/79/58/48/1210795848.db2.gz GRUXWHJBKVVURR-GNZRSQJKSA-N 2 0 356.470 0.554 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884816060 1210798953 /nfs/dbraw/zinc/79/89/53/1210798953.db2.gz UNCBCQOXTVQRKP-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000884819631 1210799037 /nfs/dbraw/zinc/79/90/37/1210799037.db2.gz HULVSQOGDWDURR-JQHSSLGASA-N 2 0 358.486 0.942 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884823959 1210799958 /nfs/dbraw/zinc/79/99/58/1210799958.db2.gz MDJPRVUCLUBFBK-GDAAHCPNSA-N 2 0 370.497 0.834 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839052 1210800674 /nfs/dbraw/zinc/80/06/74/1210800674.db2.gz WCMCBGPXUVETQB-OAHLLOKOSA-N 2 0 358.486 0.797 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884844982 1210801128 /nfs/dbraw/zinc/80/11/28/1210801128.db2.gz GUMKDRJPLIUWDK-QGZVFWFLSA-N 2 0 358.486 0.891 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000884886010 1210802941 /nfs/dbraw/zinc/80/29/41/1210802941.db2.gz GGZGUFUTRMZHQR-QZTJIDSGSA-N 2 0 358.486 0.759 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884886696 1210802958 /nfs/dbraw/zinc/80/29/58/1210802958.db2.gz ONQRCIVICDIWCO-MSOLQXFVSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885154428 1210813718 /nfs/dbraw/zinc/81/37/18/1210813718.db2.gz WLMUQMCAPPJEQR-OLMNPRSZSA-N 2 0 358.486 0.616 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885204413 1210815443 /nfs/dbraw/zinc/81/54/43/1210815443.db2.gz LUPAPNLIVYPQDT-HZPDHXFCSA-N 2 0 367.538 0.247 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000885199079 1210815638 /nfs/dbraw/zinc/81/56/38/1210815638.db2.gz NHIAGAVVBKUOCI-UHFFFAOYSA-N 2 0 367.538 0.247 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000885276937 1210817057 /nfs/dbraw/zinc/81/70/57/1210817057.db2.gz WCCIBQRACAVGDX-CABCVRRESA-N 2 0 372.460 0.824 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000885280456 1210817091 /nfs/dbraw/zinc/81/70/91/1210817091.db2.gz PDOPVBWBTKKVLF-GJZGRUSLSA-N 2 0 372.460 0.824 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885275819 1210817202 /nfs/dbraw/zinc/81/72/02/1210817202.db2.gz JKEILVZCJLVIQS-OAHLLOKOSA-N 2 0 374.476 0.926 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885296126 1210817625 /nfs/dbraw/zinc/81/76/25/1210817625.db2.gz RKSDNVCJRMMPRQ-AWEZNQCLSA-N 2 0 372.460 0.824 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691713673 1210841166 /nfs/dbraw/zinc/84/11/66/1210841166.db2.gz YPFAISKJRYCBFB-BHYGNILZSA-N 2 0 351.495 0.679 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC001691719348 1210843061 /nfs/dbraw/zinc/84/30/61/1210843061.db2.gz CTIOAOWYUNUKAP-INMHGKMJSA-N 2 0 357.495 0.074 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000890283997 1210853979 /nfs/dbraw/zinc/85/39/79/1210853979.db2.gz RYRJAVRFKWZKHA-YJBOKZPZSA-N 2 0 373.501 0.976 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C24CC[NH+](CC2)CC4)C3)CC1 ZINC001274004613 1210858378 /nfs/dbraw/zinc/85/83/78/1210858378.db2.gz HLEPUUIKANNQEX-FOIQADDNSA-N 2 0 360.502 0.531 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090888 1210879010 /nfs/dbraw/zinc/87/90/10/1210879010.db2.gz LRTDUPUXWQPXTB-WRWLIDTKSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)CCC[NH+]2CCCC2)C3)CC1 ZINC001274102514 1210881849 /nfs/dbraw/zinc/88/18/49/1210881849.db2.gz UOOQNCQKWPNWAO-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750721 1210947216 /nfs/dbraw/zinc/94/72/16/1210947216.db2.gz OBJDMPNSFAAIRF-MOPGFXCFSA-N 2 0 366.550 0.850 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)n2)CC1 ZINC000889764799 1210948700 /nfs/dbraw/zinc/94/87/00/1210948700.db2.gz YKEJTLCODGQOEL-QZTJIDSGSA-N 2 0 373.501 0.505 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890135022 1210967959 /nfs/dbraw/zinc/96/79/59/1210967959.db2.gz XXTZNTYKQSNERZ-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)CC1 ZINC001274370334 1211038858 /nfs/dbraw/zinc/03/88/58/1211038858.db2.gz OZRRBESNVKRIRJ-ZWKOTPCHSA-N 2 0 360.506 0.053 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001221188159 1225259504 /nfs/dbraw/zinc/25/95/04/1225259504.db2.gz PWZABJGOWPJTMA-GOEBONIOSA-N 2 0 361.442 0.466 20 0 FCADRP CC(C)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188543 1225259992 /nfs/dbraw/zinc/25/99/92/1225259992.db2.gz XIHIYRWTORKNEI-JYJNAYRXSA-N 2 0 370.538 1.000 20 0 FCADRP CN1CC[NH+](CCCC(=O)N2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)CC1 ZINC001274515414 1211071573 /nfs/dbraw/zinc/07/15/73/1211071573.db2.gz PPVKXHHRPLRIJY-UHFFFAOYSA-N 2 0 360.506 0.472 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221190161 1225262851 /nfs/dbraw/zinc/26/28/51/1225262851.db2.gz CPSVFWXQXLARPI-URLQWDBASA-N 2 0 360.458 0.109 20 0 FCADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H](O)C[N@@H+]2C)n(C)n1 ZINC001274907963 1211141680 /nfs/dbraw/zinc/14/16/80/1211141680.db2.gz HLOUMKINTBSPBN-SGTLBZGDSA-N 2 0 361.490 0.405 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143381 1211179577 /nfs/dbraw/zinc/17/95/77/1211179577.db2.gz UGTVJWMYPGBHHC-UYAOXDASSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143371 1211179641 /nfs/dbraw/zinc/17/96/41/1211179641.db2.gz UGTVJWMYPGBHHC-ICSRJNTNSA-N 2 0 364.534 0.727 20 0 FCADRP O=C1CC[C@@H](C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)N1 ZINC001275149279 1211181390 /nfs/dbraw/zinc/18/13/90/1211181390.db2.gz WCMQIBPZHCMLMP-KSSFIOAISA-N 2 0 359.430 0.003 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275171680 1211187986 /nfs/dbraw/zinc/18/79/86/1211187986.db2.gz MPXZKGBKCZRWAF-QGZVFWFLSA-N 2 0 360.506 0.470 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)OCC1=O ZINC001275421772 1211233698 /nfs/dbraw/zinc/23/36/98/1211233698.db2.gz OJSVCLPRRWBBAB-SFHVURJKSA-N 2 0 357.414 0.524 20 0 FCADRP COC(C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1)OC ZINC001275493383 1211250725 /nfs/dbraw/zinc/25/07/25/1211250725.db2.gz JVORWTLEZBPPOB-LJQANCHMSA-N 2 0 368.522 0.167 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511564 1211252282 /nfs/dbraw/zinc/25/22/82/1211252282.db2.gz KGAUJLFQSVXCMC-LJQANCHMSA-N 2 0 368.522 0.402 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511559 1211252549 /nfs/dbraw/zinc/25/25/49/1211252549.db2.gz KFOSWKRMJHULFP-IBGZPJMESA-N 2 0 363.506 0.811 20 0 FCADRP C[NH+](C)CC(C)(C)CN1CC[C@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510900 1211252938 /nfs/dbraw/zinc/25/29/38/1211252938.db2.gz BDSOBQUQPMSWNN-KXBFYZLASA-N 2 0 366.506 0.156 20 0 FCADRP Cc1noc(CN2C[C@]3(CC[N@@H+](CC4CC[NH+](C)CC4)C3)OCC2=O)n1 ZINC001275555426 1211255675 /nfs/dbraw/zinc/25/56/75/1211255675.db2.gz AUSGXNONNZMQME-GOSISDBHSA-N 2 0 363.462 0.523 20 0 FCADRP CN(C)C(=O)CCN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556647 1211256574 /nfs/dbraw/zinc/25/65/74/1211256574.db2.gz NHIZKKUAZVAWBV-IBGZPJMESA-N 2 0 366.506 0.110 20 0 FCADRP Cn1cnnc1CN1CCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001275555512 1211257017 /nfs/dbraw/zinc/25/70/17/1211257017.db2.gz CAVPOTJKNOJBHQ-UHFFFAOYSA-N 2 0 360.506 0.971 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)CC1 ZINC001275557318 1211257107 /nfs/dbraw/zinc/25/71/07/1211257107.db2.gz XHCATKYUFXOBTQ-FQEVSTJZSA-N 2 0 364.534 0.727 20 0 FCADRP CC(C)(C)C(=O)OCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736851 1211278745 /nfs/dbraw/zinc/27/87/45/1211278745.db2.gz HXGFMQABQPJLFU-IBGZPJMESA-N 2 0 367.490 0.836 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738286 1211279396 /nfs/dbraw/zinc/27/93/96/1211279396.db2.gz XUFQENHZXDZELN-IBGZPJMESA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750732 1211281127 /nfs/dbraw/zinc/28/11/27/1211281127.db2.gz PLXZNERLXDLOKD-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(CC[NH+](CCn3ccnc3)C2)CC1 ZINC001275801675 1211286404 /nfs/dbraw/zinc/28/64/04/1211286404.db2.gz TYSUCZKZHATXIG-KRWDZBQOSA-N 2 0 361.490 0.264 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803605 1211287436 /nfs/dbraw/zinc/28/74/36/1211287436.db2.gz KOVIMYBZSTVQED-AZUAARDMSA-N 2 0 364.534 0.870 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833721 1211293662 /nfs/dbraw/zinc/29/36/62/1211293662.db2.gz OXAAOOKAJXMKHI-FQEVSTJZSA-N 3 0 366.550 0.831 20 0 FCADRP Cn1cnnc1CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001275877356 1211302962 /nfs/dbraw/zinc/30/29/62/1211302962.db2.gz AMRKHZZVJYIOMH-CVEARBPZSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1cnnc1CNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001275877364 1211302992 /nfs/dbraw/zinc/30/29/92/1211302992.db2.gz AMRKHZZVJYIOMH-JKSUJKDBSA-N 2 0 360.506 0.875 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877479 1211303126 /nfs/dbraw/zinc/30/31/26/1211303126.db2.gz CDHWUJNTVBPJRO-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CCN(C[C@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878357 1211303362 /nfs/dbraw/zinc/30/33/62/1211303362.db2.gz KHPRBZSKTAHLQX-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275878349 1211303537 /nfs/dbraw/zinc/30/35/37/1211303537.db2.gz JRKGIPDGZLLJRW-APWZRJJASA-N 2 0 367.490 0.583 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H]3C(=O)NC[C@@H]3CCC(=O)N3)CC2)C1 ZINC001275881344 1211305089 /nfs/dbraw/zinc/30/50/89/1211305089.db2.gz ZDEWWEFCKUTTIS-ULQDDVLXSA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881250 1211305143 /nfs/dbraw/zinc/30/51/43/1211305143.db2.gz YKVXRCDGTUPYCQ-LPHOPBHVSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820139 1225281839 /nfs/dbraw/zinc/28/18/39/1225281839.db2.gz YTKFXLGRSZNIPX-LSDHHAIUSA-N 2 0 369.506 0.469 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccnc4[nH]ccc43)C2)OCC1=O ZINC001276218199 1211383192 /nfs/dbraw/zinc/38/31/92/1211383192.db2.gz KJSUDTRTLXPRJY-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221275347 1225286877 /nfs/dbraw/zinc/28/68/77/1225286877.db2.gz AYCNAYOECIHHMA-QZTJIDSGSA-N 2 0 370.497 0.535 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000545881568 1211425893 /nfs/dbraw/zinc/42/58/93/1211425893.db2.gz IXZWJUSANUNORT-FQEVSTJZSA-N 2 0 374.485 0.794 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC000946978962 1211464363 /nfs/dbraw/zinc/46/43/63/1211464363.db2.gz DNZWXFOQVVFACC-OWCLPIDISA-N 2 0 363.462 0.169 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634466 1211475686 /nfs/dbraw/zinc/47/56/86/1211475686.db2.gz NZLWSBPEHCJKBL-DLBZAZTESA-N 2 0 363.506 0.561 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000924659140 1211476088 /nfs/dbraw/zinc/47/60/88/1211476088.db2.gz OZBLAQUTFMAFAJ-UHFFFAOYSA-N 2 0 374.489 0.597 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777557 1211480551 /nfs/dbraw/zinc/48/05/51/1211480551.db2.gz QLUCUVCFYZMIBK-IAGOWNOFSA-N 2 0 360.458 0.760 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777561 1211480729 /nfs/dbraw/zinc/48/07/29/1211480729.db2.gz QLUCUVCFYZMIBK-SJORKVTESA-N 2 0 360.458 0.760 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1=O ZINC000925276643 1211494831 /nfs/dbraw/zinc/49/48/31/1211494831.db2.gz PQUVXYCDMITQII-QGZVFWFLSA-N 2 0 359.474 0.416 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925407531 1211499653 /nfs/dbraw/zinc/49/96/53/1211499653.db2.gz FEPQQOALKRKEOI-SJORKVTESA-N 2 0 361.490 0.279 20 0 FCADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000925568431 1211502412 /nfs/dbraw/zinc/50/24/12/1211502412.db2.gz ARKXKKQCQAGYKA-RBUKOAKNSA-N 2 0 360.502 0.989 20 0 FCADRP C(CN1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768333 1211508052 /nfs/dbraw/zinc/50/80/52/1211508052.db2.gz JOUHUBZNSWRZHB-LWYYNNOASA-N 2 0 366.550 0.530 20 0 FCADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CN3CC[NH+](CC)CC3)C2)[C@H]1C(C)C ZINC000926254497 1211523543 /nfs/dbraw/zinc/52/35/43/1211523543.db2.gz UIXJBCSODIQVSP-LFGUQSLTSA-N 2 0 366.550 0.610 20 0 FCADRP COc1ccccc1[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1nnc(C)o1 ZINC001221336653 1225300231 /nfs/dbraw/zinc/30/02/31/1225300231.db2.gz MLRATVIJUOIRST-VVFCZOMOSA-N 2 0 371.441 0.791 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000928559677 1211605018 /nfs/dbraw/zinc/60/50/18/1211605018.db2.gz MEWXWKWBKWOTRG-HDICACEKSA-N 2 0 358.486 0.412 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000929229723 1211623904 /nfs/dbraw/zinc/62/39/04/1211623904.db2.gz NELRLFLPSHPQAN-MRXNPFEDSA-N 2 0 368.522 0.308 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000929497744 1211641599 /nfs/dbraw/zinc/64/15/99/1211641599.db2.gz KTWCIJBNAYDHHJ-UHFFFAOYSA-N 2 0 359.474 0.754 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@H]3Cc4cc(O)ccc4C[NH2+]3)CC2)[NH2+]C1 ZINC001221391869 1225305431 /nfs/dbraw/zinc/30/54/31/1225305431.db2.gz PJXRFVWSQJMCSS-LJQANCHMSA-N 2 0 354.454 0.975 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000929947080 1211673618 /nfs/dbraw/zinc/67/36/18/1211673618.db2.gz GNUUJFIZSRIBKN-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431586 1211755272 /nfs/dbraw/zinc/75/52/72/1211755272.db2.gz BCMWVQKMUICMEV-IXDOHACOSA-N 2 0 374.485 0.836 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000931608732 1211762626 /nfs/dbraw/zinc/76/26/26/1211762626.db2.gz STLUSKAHEXWKFS-QGZVFWFLSA-N 2 0 359.474 0.851 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000931607220 1211763152 /nfs/dbraw/zinc/76/31/52/1211763152.db2.gz LWVFUYRFWDARNO-QGZVFWFLSA-N 2 0 359.474 0.851 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021285 1211788438 /nfs/dbraw/zinc/78/84/38/1211788438.db2.gz RGPDZPYKUPDZQR-DDBAPUKQSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000933841731 1211848672 /nfs/dbraw/zinc/84/86/72/1211848672.db2.gz KEPVQJVBMJKDFN-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1ccncc1)C1CC1 ZINC000934222980 1211859325 /nfs/dbraw/zinc/85/93/25/1211859325.db2.gz JUWTWVMBWALMQU-KRWDZBQOSA-N 2 0 361.490 0.601 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCCO1 ZINC001111169414 1211910145 /nfs/dbraw/zinc/91/01/45/1211910145.db2.gz SESVAJCEBYRWJC-VQHPVUNQSA-N 2 0 366.506 0.345 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001111233624 1211936379 /nfs/dbraw/zinc/93/63/79/1211936379.db2.gz SGPPQZKZWKWIJH-VQHPVUNQSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001095784553 1211999941 /nfs/dbraw/zinc/99/99/41/1211999941.db2.gz YLVBCBCKKRCUMA-IBTBTWTJSA-N 2 0 371.485 0.468 20 0 FCADRP CC(C)[C@@H](C)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281344 1212232953 /nfs/dbraw/zinc/23/29/53/1212232953.db2.gz OGDBQGHGYRNRHK-VQHPVUNQSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000949185328 1212317454 /nfs/dbraw/zinc/31/74/54/1212317454.db2.gz ZIZGKGIDYZLFKR-UKPHBRMFSA-N 2 0 355.442 0.863 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949838922 1212469686 /nfs/dbraw/zinc/46/96/86/1212469686.db2.gz VUSBNCUWFCFSRN-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007482393 1212503731 /nfs/dbraw/zinc/50/37/31/1212503731.db2.gz HNIINZSWIYAZEA-JXFKEZNVSA-N 2 0 360.502 0.675 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001007855014 1212593074 /nfs/dbraw/zinc/59/30/74/1212593074.db2.gz DPXUQJPKRGMTJF-WOYCLPQFSA-N 2 0 374.529 0.920 20 0 FCADRP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007946853 1212604914 /nfs/dbraw/zinc/60/49/14/1212604914.db2.gz RAMUATADZPMCBS-YWZLYKJASA-N 2 0 371.485 0.854 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221657081 1225421005 /nfs/dbraw/zinc/42/10/05/1225421005.db2.gz JCAPNRSFLNUQEN-BRWVUGGUSA-N 2 0 371.522 0.273 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000954409835 1213071004 /nfs/dbraw/zinc/07/10/04/1213071004.db2.gz QXMMDRQLWKEWMC-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](CC(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)n1ccnc1 ZINC000954649769 1213098842 /nfs/dbraw/zinc/09/88/42/1213098842.db2.gz WHOXBTQVYVPCOW-IIAWOOMASA-N 2 0 363.462 0.223 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000956429521 1213195273 /nfs/dbraw/zinc/19/52/73/1213195273.db2.gz VFXQEYHVWVMWRN-HZPDHXFCSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799309 1213216016 /nfs/dbraw/zinc/21/60/16/1213216016.db2.gz TXPARWNYYWLVDR-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000957086067 1213248636 /nfs/dbraw/zinc/24/86/36/1213248636.db2.gz OTHKPHBZRJOBNR-HZPDHXFCSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000957089614 1213250077 /nfs/dbraw/zinc/25/00/77/1213250077.db2.gz SIZDXGLFCGRFAT-HZPDHXFCSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001221771608 1225475918 /nfs/dbraw/zinc/47/59/18/1225475918.db2.gz DCPOUSQZWZVCNC-OWCLPIDISA-N 2 0 358.490 0.640 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc5n(n4)CCC5)C[C@H]32)O1 ZINC000960531908 1213807703 /nfs/dbraw/zinc/80/77/03/1213807703.db2.gz XYCDXYSABLTNIV-CUWKQTPXSA-N 2 0 359.474 0.095 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@@H]21)[NH+](C)C ZINC000960574871 1213826272 /nfs/dbraw/zinc/82/62/72/1213826272.db2.gz QVOXYWPAJBAQGX-OWCLPIDISA-N 2 0 363.462 0.121 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001011208216 1213848215 /nfs/dbraw/zinc/84/82/15/1213848215.db2.gz NOBLOLWESGCMNT-GDBMZVCRSA-N 2 0 362.474 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC001016633775 1214024680 /nfs/dbraw/zinc/02/46/80/1214024680.db2.gz XTXKNRBKPYRETL-OAGGEKHMSA-N 2 0 363.506 0.323 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N(C)C2CC2)CC3)CC[N@@H+]1C ZINC001016631739 1214025109 /nfs/dbraw/zinc/02/51/09/1214025109.db2.gz CMNWXUIPZDRBFW-DJIMGWMZSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001018867427 1214167006 /nfs/dbraw/zinc/16/70/06/1214167006.db2.gz NGGWYEMLDPOCEE-QLFBSQMISA-N 2 0 363.510 0.501 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419429386 1214181057 /nfs/dbraw/zinc/18/10/57/1214181057.db2.gz UPHMGGLQPXQZPF-OAQYLSRUSA-N 2 0 370.497 0.906 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C24CC[NH+](CC2)C4)C3)CC[N@@H+]1C ZINC001019070499 1214190606 /nfs/dbraw/zinc/19/06/06/1214190606.db2.gz QALNBYQOBKWXOO-HZPDHXFCSA-N 2 0 360.502 0.483 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419505989 1214204345 /nfs/dbraw/zinc/20/43/45/1214204345.db2.gz LEPFSVYIGNSNGG-GHTZIAJQSA-N 2 0 370.497 0.979 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1 ZINC001019149019 1214207258 /nfs/dbraw/zinc/20/72/58/1214207258.db2.gz JSDLFIRKRGLXCS-RBSFLKMASA-N 2 0 357.458 0.526 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCCC[NH+]4C)C3)C2)CC[N@@H+]1C ZINC001019169109 1214211591 /nfs/dbraw/zinc/21/15/91/1214211591.db2.gz IUNAVRVANKVBSA-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419537669 1214216177 /nfs/dbraw/zinc/21/61/77/1214216177.db2.gz VYODGMHGCSUNIC-MMOPVJDHSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419660368 1214248203 /nfs/dbraw/zinc/24/82/03/1214248203.db2.gz BTBKPKJXXPZFKB-FQEVSTJZSA-N 2 0 371.485 0.769 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001039865904 1214451164 /nfs/dbraw/zinc/45/11/64/1214451164.db2.gz UVKUNOACDRKXET-FCEWJHQRSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001040103667 1214467730 /nfs/dbraw/zinc/46/77/30/1214467730.db2.gz BYFICUGKAJGQEA-FCEWJHQRSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NC2CC2)CC3)CC[N@@H+]1C ZINC001040708232 1214570846 /nfs/dbraw/zinc/57/08/46/1214570846.db2.gz RUEGBBCHQYYPAB-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cc2ncc[nH]2)CC[N@@H+]1C ZINC000963153947 1214752487 /nfs/dbraw/zinc/75/24/87/1214752487.db2.gz NKQADTXTMAKAHX-LVQVYYBASA-N 2 0 359.474 0.884 20 0 FCADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000967840373 1215261304 /nfs/dbraw/zinc/26/13/04/1215261304.db2.gz LFXJPMVNTARRNH-BZUAXINKSA-N 2 0 359.474 0.677 20 0 FCADRP O=C1CN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC2(CC[NH2+]CC2)N1 ZINC001222515428 1225629585 /nfs/dbraw/zinc/62/95/85/1225629585.db2.gz QWUSZYSNDJOQOU-UHFFFAOYSA-N 2 0 357.502 0.146 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCN[C@H]4CC[NH2+]CC[C@@H]43)cnc12 ZINC001222502061 1225629591 /nfs/dbraw/zinc/62/95/91/1225629591.db2.gz FFXRGBHEYWITAZ-HKUYNNGSSA-N 2 0 369.517 0.722 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)cn1 ZINC001098013622 1215925135 /nfs/dbraw/zinc/92/51/35/1215925135.db2.gz XZYKPWHXOKKDDN-ZACQAIPSSA-N 2 0 372.477 0.072 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055957080 1215926727 /nfs/dbraw/zinc/92/67/27/1215926727.db2.gz YGHWPJLJCJCLOX-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001000477948 1216068603 /nfs/dbraw/zinc/06/86/03/1216068603.db2.gz SAJDKNQUJGYXNU-RANZSIQMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050524605 1216331220 /nfs/dbraw/zinc/33/12/20/1216331220.db2.gz HWHORPWMEOZIAT-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CCNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222959332 1225669964 /nfs/dbraw/zinc/66/99/64/1225669964.db2.gz XBMBCXCWVXDDOT-KFWWJZLASA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC001051625414 1216469953 /nfs/dbraw/zinc/46/99/53/1216469953.db2.gz ZYYDVJMYIURDHI-FHLIZLRMSA-N 2 0 361.490 0.487 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001052393784 1216546397 /nfs/dbraw/zinc/54/63/97/1216546397.db2.gz QMQAWAFPIHADNV-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001052393370 1216546790 /nfs/dbraw/zinc/54/67/90/1216546790.db2.gz IOHJJSQPUAMGCV-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP Cn1c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cccc1=O ZINC001276869175 1225687507 /nfs/dbraw/zinc/68/75/07/1225687507.db2.gz WCKTVEDNVQVKDE-IBGZPJMESA-N 2 0 360.458 0.288 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068401617 1216731571 /nfs/dbraw/zinc/73/15/71/1216731571.db2.gz OCYVOGXMHDKNMN-JKSUJKDBSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)CC[NH+](C)C)O3)CC[N@@H+]1C ZINC001068624487 1216751327 /nfs/dbraw/zinc/75/13/27/1216751327.db2.gz PDMZQAGVEZGIMG-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cccc(N3CC[C@@H]([NH2+]CCO)C3)n2)CC[N@@H+]1C ZINC001069838937 1216805242 /nfs/dbraw/zinc/80/52/42/1216805242.db2.gz MDKPHGOZRSIVOT-DJIMGWMZSA-N 2 0 361.490 0.199 20 0 FCADRP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)CCO1 ZINC001223424928 1225706397 /nfs/dbraw/zinc/70/63/97/1225706397.db2.gz JXHABRQDQMTHCJ-BBWFWOEESA-N 2 0 366.506 0.108 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846319 1225740406 /nfs/dbraw/zinc/74/04/06/1225740406.db2.gz DCVJBQFNWROGNA-SQNIBIBYSA-N 2 0 363.506 0.509 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939971 1225752180 /nfs/dbraw/zinc/75/21/80/1225752180.db2.gz LXGAWQDKKUXVTN-FQEVSTJZSA-N 2 0 364.534 0.870 20 0 FCADRP CN(CC1CC1)C(=O)CN1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130085 1225758143 /nfs/dbraw/zinc/75/81/43/1225758143.db2.gz NGVMELGOKXDLKN-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001095964740 1217789545 /nfs/dbraw/zinc/78/95/45/1217789545.db2.gz ABBWKILFCOVZKW-BDXSIMOUSA-N 2 0 361.490 0.307 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959471 1225768836 /nfs/dbraw/zinc/76/88/36/1225768836.db2.gz RGBWKVDQRHRVIZ-HXUWFJFHSA-N 2 0 366.550 0.709 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001044293950 1217831015 /nfs/dbraw/zinc/83/10/15/1217831015.db2.gz FEZTZUUZQLAWLB-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014555 1217915708 /nfs/dbraw/zinc/91/57/08/1217915708.db2.gz GXEPCMPJMOOVCZ-BGTYHANMSA-N 2 0 358.486 0.949 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000900171646 1217965885 /nfs/dbraw/zinc/96/58/85/1217965885.db2.gz OBEHNNPSTWLNIU-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045947082 1217978641 /nfs/dbraw/zinc/97/86/41/1217978641.db2.gz ISQHVJMIPQQXBM-GPMSIDNRSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000900601306 1218011215 /nfs/dbraw/zinc/01/12/15/1218011215.db2.gz MFPZMKOMNJGERD-WZOJCFFYSA-N 2 0 365.518 0.935 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900686972 1218024308 /nfs/dbraw/zinc/02/43/08/1218024308.db2.gz QIJWLRREBBZCMN-LJQANCHMSA-N 2 0 367.582 0.935 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900686971 1218024502 /nfs/dbraw/zinc/02/45/02/1218024502.db2.gz QIJWLRREBBZCMN-IBGZPJMESA-N 2 0 367.582 0.935 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000900696068 1218026076 /nfs/dbraw/zinc/02/60/76/1218026076.db2.gz YAOYYFSMSODJJA-UHFFFAOYSA-N 2 0 367.582 0.792 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001047384596 1218136157 /nfs/dbraw/zinc/13/61/57/1218136157.db2.gz BSRQNBFNNKVMFS-BGTYHANMSA-N 2 0 363.506 0.289 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001096355711 1218262524 /nfs/dbraw/zinc/26/25/24/1218262524.db2.gz BCGUENNJBFSSTG-IKGGRYGDSA-N 2 0 358.490 0.712 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538469 1218282835 /nfs/dbraw/zinc/28/28/35/1218282835.db2.gz WDVLGXMAYMHOFI-NWHWRWDZSA-N 2 0 366.506 0.199 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048827767 1218322375 /nfs/dbraw/zinc/32/23/75/1218322375.db2.gz FOEHVRNHSJNJBX-CIRFHOKZSA-N 2 0 362.518 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048830418 1218325041 /nfs/dbraw/zinc/32/50/41/1218325041.db2.gz NMBYDBXOHLWRTA-OSBBLCOHSA-N 2 0 362.518 0.774 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000903741744 1218512282 /nfs/dbraw/zinc/51/22/82/1218512282.db2.gz SIAIXYATZJTMGY-RCCFBDPRSA-N 3 0 364.534 0.725 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739986 1218512349 /nfs/dbraw/zinc/51/23/49/1218512349.db2.gz RCCJKFWFOKMCQX-QUCCMNQESA-N 2 0 364.534 0.631 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@@H]21 ZINC000903779058 1218523327 /nfs/dbraw/zinc/52/33/27/1218523327.db2.gz UWAWKQNSPYCGJL-HYVNUMGLSA-N 2 0 371.485 0.752 20 0 FCADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000903908910 1218561154 /nfs/dbraw/zinc/56/11/54/1218561154.db2.gz BELSYBWVSSKXFZ-AOIWGVFYSA-N 2 0 361.538 0.660 20 0 FCADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000903908924 1218561886 /nfs/dbraw/zinc/56/18/86/1218561886.db2.gz BELSYBWVSSKXFZ-ZIFCJYIRSA-N 2 0 361.538 0.660 20 0 FCADRP C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000903908920 1218562252 /nfs/dbraw/zinc/56/22/52/1218562252.db2.gz BELSYBWVSSKXFZ-LMMKCTJWSA-N 2 0 361.538 0.660 20 0 FCADRP C(C[NH+]1CCC(N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000903972083 1218576595 /nfs/dbraw/zinc/57/65/95/1218576595.db2.gz GOZPTJXVPAYOOK-LJQANCHMSA-N 2 0 366.550 0.531 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001097779549 1218845235 /nfs/dbraw/zinc/84/52/35/1218845235.db2.gz QPGUYGDXJANVKR-VQHPVUNQSA-N 2 0 358.490 0.829 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)n1 ZINC001097774635 1218845263 /nfs/dbraw/zinc/84/52/63/1218845263.db2.gz ATFJOUVLBIPARI-KURKYZTESA-N 2 0 360.506 0.958 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@@H+]1C ZINC001054134634 1218899162 /nfs/dbraw/zinc/89/91/62/1218899162.db2.gz JIMHYKISHAWYLV-ZHALLVOQSA-N 2 0 360.506 0.933 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001226773004 1225854345 /nfs/dbraw/zinc/85/43/45/1225854345.db2.gz BKCPCGBKAVZYMV-BRWVUGGUSA-N 2 0 366.506 0.393 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226817475 1225855191 /nfs/dbraw/zinc/85/51/91/1225855191.db2.gz DWGWKROOWGVAGS-NWANDNLSSA-N 2 0 367.494 0.332 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831093 1225855497 /nfs/dbraw/zinc/85/54/97/1225855497.db2.gz OAMXPMUXUUDXTI-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001227028976 1225861417 /nfs/dbraw/zinc/86/14/17/1225861417.db2.gz WCHLCQWPOHGMSP-QBPKDAKJSA-N 2 0 368.522 0.495 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001227029040 1225861489 /nfs/dbraw/zinc/86/14/89/1225861489.db2.gz YWXDFLLSVIDNPY-QBPKDAKJSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccc[nH]3)CC2)CC[N@@H+]1C ZINC001055516252 1219063930 /nfs/dbraw/zinc/06/39/30/1219063930.db2.gz ZAQNLZLREPSLGO-GDBMZVCRSA-N 2 0 361.490 0.665 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001227065563 1225862781 /nfs/dbraw/zinc/86/27/81/1225862781.db2.gz HKFXSWCTDJZLSV-BZUAXINKSA-N 2 0 366.506 0.250 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065636 1225862806 /nfs/dbraw/zinc/86/28/06/1225862806.db2.gz KNEARRZYRPQMTL-ARFHVFGLSA-N 2 0 368.522 0.496 20 0 FCADRP CC[C@@H](OC)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055539317 1219072565 /nfs/dbraw/zinc/07/25/65/1219072565.db2.gz LHMRDXHVPHCZBZ-DJIMGWMZSA-N 2 0 368.522 0.448 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055577897 1219085347 /nfs/dbraw/zinc/08/53/47/1219085347.db2.gz DRPRHAHFAGFCLT-OXQOHEQNSA-N 2 0 362.518 0.969 20 0 FCADRP CCOCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583278 1219087765 /nfs/dbraw/zinc/08/77/65/1219087765.db2.gz HGAOVIDFJPPRDH-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)OCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583262 1219088106 /nfs/dbraw/zinc/08/81/06/1219088106.db2.gz GUPNYKVHBIEJLF-NVXWUHKLSA-N 2 0 368.522 0.448 20 0 FCADRP CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001055583289 1219088445 /nfs/dbraw/zinc/08/84/45/1219088445.db2.gz HRXPCNJMINGXOA-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804058337 1219113074 /nfs/dbraw/zinc/11/30/74/1219113074.db2.gz ZVLLLJZMCCYPEQ-IXDOHACOSA-N 2 0 366.506 0.347 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000804063080 1219117402 /nfs/dbraw/zinc/11/74/02/1219117402.db2.gz PBMAENNTNJHEJX-IXDOHACOSA-N 2 0 364.490 0.099 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097132 1219167998 /nfs/dbraw/zinc/16/79/98/1219167998.db2.gz DHOVFVJGDDBYIB-KSZLIROESA-N 2 0 354.458 0.772 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1n1ccnn1 ZINC001070195908 1219287187 /nfs/dbraw/zinc/28/71/87/1219287187.db2.gz GAHRDNOBDNJHTA-CVEARBPZSA-N 2 0 360.466 0.102 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208970 1219294836 /nfs/dbraw/zinc/29/48/36/1219294836.db2.gz GZUCILFNZMBVQY-UAGQMJEPSA-N 2 0 362.478 0.140 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070208990 1219294883 /nfs/dbraw/zinc/29/48/83/1219294883.db2.gz HOMZJLYEVPAPGM-IKGGRYGDSA-N 2 0 362.478 0.283 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070275512 1219342444 /nfs/dbraw/zinc/34/24/44/1219342444.db2.gz PTGSWHDWCARGJV-NXHRZFHOSA-N 2 0 369.473 0.557 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277237 1219344190 /nfs/dbraw/zinc/34/41/90/1219344190.db2.gz IZNKUCXWOWVDAC-SQNIBIBYSA-N 2 0 371.489 0.863 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070327949 1219378233 /nfs/dbraw/zinc/37/82/33/1219378233.db2.gz LBLBCGAKRPCQMY-SJORKVTESA-N 2 0 355.446 0.311 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070367341 1219399676 /nfs/dbraw/zinc/39/96/76/1219399676.db2.gz QKHDWXIWAOGVPL-NUJGCVRESA-N 2 0 368.497 0.916 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070378222 1219404849 /nfs/dbraw/zinc/40/48/49/1219404849.db2.gz GFPSKXWPGHTVFW-OGWOLHLISA-N 2 0 368.497 0.916 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070475220 1219425909 /nfs/dbraw/zinc/42/59/09/1219425909.db2.gz IXTRJOAJFLGOSX-CGTJXYLNSA-N 2 0 371.489 0.295 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2[NH2+]CCO)c1 ZINC001070504095 1219443161 /nfs/dbraw/zinc/44/31/61/1219443161.db2.gz BZLQJCOLDUSYIW-DOTOQJQBSA-N 2 0 361.490 0.172 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070629703 1219494344 /nfs/dbraw/zinc/49/43/44/1219494344.db2.gz RWSUKENUPIUKBT-KURKYZTESA-N 2 0 368.485 0.994 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070697838 1219531019 /nfs/dbraw/zinc/53/10/19/1219531019.db2.gz VOKMTZALRAJNIG-USXIJHARSA-N 2 0 363.506 0.417 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070717875 1219540188 /nfs/dbraw/zinc/54/01/88/1219540188.db2.gz ACEQVDOPFXUEHX-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001070719120 1219541739 /nfs/dbraw/zinc/54/17/39/1219541739.db2.gz TVRRUEYDPZXATM-BRWVUGGUSA-N 2 0 361.490 0.436 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070922391 1219578869 /nfs/dbraw/zinc/57/88/69/1219578869.db2.gz JECDYTBMINIBAI-XHSDSOJGSA-N 2 0 362.474 0.597 20 0 FCADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)CCO1 ZINC001228262696 1225906159 /nfs/dbraw/zinc/90/61/59/1225906159.db2.gz XMBLXKHKCFVALK-GVDBMIGSSA-N 2 0 368.522 0.593 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001071071930 1219600324 /nfs/dbraw/zinc/60/03/24/1219600324.db2.gz HGDRVNYVRJTANY-AEFFLSMTSA-N 2 0 371.441 0.419 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCc4ncnn42)C3)CC[N@@H+]1C ZINC001072752736 1219621585 /nfs/dbraw/zinc/62/15/85/1219621585.db2.gz ZBBJXWFRVDIEOL-BZUAXINKSA-N 2 0 358.490 0.640 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC001072755118 1219621594 /nfs/dbraw/zinc/62/15/94/1219621594.db2.gz UCHLKAIILYZUEP-RRFJBIMHSA-N 2 0 362.474 0.056 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005747 1219631765 /nfs/dbraw/zinc/63/17/65/1219631765.db2.gz CKYLNDVFFDAXAB-NXHRZFHOSA-N 2 0 370.497 0.740 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099029642 1219892252 /nfs/dbraw/zinc/89/22/52/1219892252.db2.gz HDSAFFZJHUJUSF-BXWFABGCSA-N 2 0 363.506 0.324 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099122461 1219921341 /nfs/dbraw/zinc/92/13/41/1219921341.db2.gz VBOSHLCZTQKLRT-BXWFABGCSA-N 2 0 363.506 0.324 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001099445988 1219999082 /nfs/dbraw/zinc/99/90/82/1219999082.db2.gz FWXIACGWVVHSLY-FCEWJHQRSA-N 2 0 362.518 0.968 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)n1 ZINC001099487885 1220013030 /nfs/dbraw/zinc/01/30/30/1220013030.db2.gz JNWNEBFMEQTEEP-LPHOPBHVSA-N 2 0 360.506 0.875 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001099509243 1220017512 /nfs/dbraw/zinc/01/75/12/1220017512.db2.gz ONAXKARSRVUULU-ZWOKBUDYSA-N 2 0 362.518 0.825 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001099525671 1220023830 /nfs/dbraw/zinc/02/38/30/1220023830.db2.gz PHPUREVEXPJCDJ-KXBFYZLASA-N 2 0 358.490 0.629 20 0 FCADRP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099535650 1220026518 /nfs/dbraw/zinc/02/65/18/1220026518.db2.gz QTASZXANEFJFPR-GJYPPUQNSA-N 2 0 360.506 0.968 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001228660789 1225940521 /nfs/dbraw/zinc/94/05/21/1225940521.db2.gz JJIATGGJDKKZRE-KFWWJZLASA-N 2 0 367.494 0.332 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)[NH+]1CCCC1 ZINC001228669165 1225941547 /nfs/dbraw/zinc/94/15/47/1225941547.db2.gz MLPRJTPUFPBOTM-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240710 1220240379 /nfs/dbraw/zinc/24/03/79/1220240379.db2.gz FVDCIADPQUIWIT-HBFSDRIKSA-N 2 0 365.518 0.772 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257244 1220250285 /nfs/dbraw/zinc/25/02/85/1220250285.db2.gz LSLMBDDFXUPLFV-MDZRGWNJSA-N 2 0 370.513 0.925 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267590 1220256063 /nfs/dbraw/zinc/25/60/63/1220256063.db2.gz LOXCUSZWFVFNTN-HLIPFELVSA-N 2 0 362.518 0.633 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267452 1220256116 /nfs/dbraw/zinc/25/61/16/1220256116.db2.gz FVABSPAXSSUQPK-POAQFYNOSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286428 1220268342 /nfs/dbraw/zinc/26/83/42/1220268342.db2.gz XJAVYEBHJMQMQN-CLCXKQKWSA-N 2 0 359.474 0.562 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101287520 1220268996 /nfs/dbraw/zinc/26/89/96/1220268996.db2.gz QDYUOGBQFOMINP-HBFSDRIKSA-N 2 0 367.534 0.896 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336515 1220292505 /nfs/dbraw/zinc/29/25/05/1220292505.db2.gz GAMNVWQHRGVAAQ-GGPKGHCWSA-N 2 0 367.534 0.898 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC1 ZINC001101342591 1220295250 /nfs/dbraw/zinc/29/52/50/1220295250.db2.gz BVVSTORUSMCBIR-APWZRJJASA-N 2 0 362.518 0.635 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353127 1220298423 /nfs/dbraw/zinc/29/84/23/1220298423.db2.gz UKTYXQAUKFSJIE-FCEWJHQRSA-N 2 0 368.522 0.260 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363983 1220302939 /nfs/dbraw/zinc/30/29/39/1220302939.db2.gz JBWXHFZALAACGF-QKLQHJQFSA-N 2 0 364.534 0.977 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400329 1220323751 /nfs/dbraw/zinc/32/37/51/1220323751.db2.gz RGBRXQJAQPILIF-AOIWGVFYSA-N 2 0 371.522 0.132 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228932575 1225962999 /nfs/dbraw/zinc/96/29/99/1225962999.db2.gz QKJBZKVUUOHRND-KFWWJZLASA-N 2 0 367.494 0.461 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815349 1220408450 /nfs/dbraw/zinc/40/84/50/1220408450.db2.gz CPYLEFLZMYDTOQ-BZUAXINKSA-N 2 0 367.538 0.862 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976356 1220449313 /nfs/dbraw/zinc/44/93/13/1220449313.db2.gz ZQFOLADOTGYLQC-KBAYOESNSA-N 2 0 364.534 0.785 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974901 1220449777 /nfs/dbraw/zinc/44/97/77/1220449777.db2.gz VUHGMUVFNUSWHM-ZIAGYGMSSA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975843 1220449848 /nfs/dbraw/zinc/44/98/48/1220449848.db2.gz DDDHZPMPHQHUFQ-NXHRZFHOSA-N 2 0 364.534 0.879 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048813 1220477577 /nfs/dbraw/zinc/47/75/77/1220477577.db2.gz PPLDACFBJCKCCI-OLMNPRSZSA-N 2 0 368.522 0.163 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102104488 1220498205 /nfs/dbraw/zinc/49/82/05/1220498205.db2.gz YOWLAKXQOSKFTL-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185675 1220541938 /nfs/dbraw/zinc/54/19/38/1220541938.db2.gz NXYNPTNYTBNMEV-QGPMSJSTSA-N 2 0 360.506 0.874 20 0 FCADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290766 1220576464 /nfs/dbraw/zinc/57/64/64/1220576464.db2.gz UZCQBTFIHULEJZ-BRWVUGGUSA-N 2 0 371.522 0.036 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320563 1220582633 /nfs/dbraw/zinc/58/26/33/1220582633.db2.gz IPZRWMQYMZPQHC-HUUCEWRRSA-N 2 0 369.510 0.104 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102377127 1220600349 /nfs/dbraw/zinc/60/03/49/1220600349.db2.gz PFQJPLFPJSJNFX-INMHGKMJSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486885 1220650615 /nfs/dbraw/zinc/65/06/15/1220650615.db2.gz ZDQAQLMLZQMQFW-IAGOWNOFSA-N 2 0 363.506 0.678 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001102504327 1220663651 /nfs/dbraw/zinc/66/36/51/1220663651.db2.gz LOPYNRNBIBWARO-LZQZEXGQSA-N 2 0 367.534 0.800 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513765 1220672223 /nfs/dbraw/zinc/67/22/23/1220672223.db2.gz AJDSZJFWZFFURH-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513805 1220672745 /nfs/dbraw/zinc/67/27/45/1220672745.db2.gz BRMPNNZPRULIAD-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514508 1220673476 /nfs/dbraw/zinc/67/34/76/1220673476.db2.gz ZNKYGLGLJHQDHJ-SOLBZPMBSA-N 2 0 360.502 0.911 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514135 1220673561 /nfs/dbraw/zinc/67/35/61/1220673561.db2.gz OAPOCTOKVVHJNX-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520548 1220678380 /nfs/dbraw/zinc/67/83/80/1220678380.db2.gz OXWQVOGQTYCFJS-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102523856 1220679543 /nfs/dbraw/zinc/67/95/43/1220679543.db2.gz NXQCSDXBJZZEGH-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102524616 1220680700 /nfs/dbraw/zinc/68/07/00/1220680700.db2.gz NYRLHMMQSPRVCT-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579973 1220701693 /nfs/dbraw/zinc/70/16/93/1220701693.db2.gz ZTYGEJSQELNDLZ-BRWVUGGUSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780447 1220782798 /nfs/dbraw/zinc/78/27/98/1220782798.db2.gz BTGVHIYITWSYHV-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103365256 1220871560 /nfs/dbraw/zinc/87/15/60/1220871560.db2.gz VUFHMHRIWUPRGZ-KURKYZTESA-N 2 0 371.522 0.179 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001103426898 1220880107 /nfs/dbraw/zinc/88/01/07/1220880107.db2.gz SDCPTLGPFJYLCX-KFWWJZLASA-N 2 0 369.510 0.376 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436313 1220882149 /nfs/dbraw/zinc/88/21/49/1220882149.db2.gz SVNIUZRIRHHKOE-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584351 1220908475 /nfs/dbraw/zinc/90/84/75/1220908475.db2.gz OWEXCOVWYHDQAH-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001103612683 1220913325 /nfs/dbraw/zinc/91/33/25/1220913325.db2.gz PNKUGXPIDOFXDV-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642217 1220925678 /nfs/dbraw/zinc/92/56/78/1220925678.db2.gz VAYUAYXKVOFQJR-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642082 1220926450 /nfs/dbraw/zinc/92/64/50/1220926450.db2.gz QBHVXAYBCRQVFW-IAGOWNOFSA-N 2 0 370.538 0.507 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229353772 1226005355 /nfs/dbraw/zinc/00/53/55/1226005355.db2.gz BUXZXESWAXJUAO-IAGOWNOFSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103724626 1220954625 /nfs/dbraw/zinc/95/46/25/1220954625.db2.gz MSXDALHULQPIHC-FGTMMUONSA-N 2 0 371.522 0.038 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001229523098 1226015972 /nfs/dbraw/zinc/01/59/72/1226015972.db2.gz AUJMNSBKAXLBBJ-HUUCEWRRSA-N 2 0 367.494 0.287 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794735 1221112649 /nfs/dbraw/zinc/11/26/49/1221112649.db2.gz HFHDRWJXMSCVSK-KXBFYZLASA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CC1 ZINC001111855703 1221137553 /nfs/dbraw/zinc/13/75/53/1221137553.db2.gz JBAIWYAGEUVBIQ-KSMMKXTCSA-N 2 0 362.474 0.104 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939448 1221179726 /nfs/dbraw/zinc/17/97/26/1221179726.db2.gz AEZVMXHUDHZGGA-VCBZYWHSSA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001112355483 1221244727 /nfs/dbraw/zinc/24/47/27/1221244727.db2.gz CTVGAHROMFCSIP-ZWOKBUDYSA-N 2 0 362.518 0.683 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112431973 1221258353 /nfs/dbraw/zinc/25/83/53/1221258353.db2.gz UILSSLMWDLTIIO-KNBMTAEXSA-N 2 0 362.518 0.968 20 0 FCADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)nn1 ZINC001229709501 1226029553 /nfs/dbraw/zinc/02/95/53/1226029553.db2.gz GGTHLCLSDKURMF-HZPDHXFCSA-N 2 0 365.478 0.580 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001229715974 1226030364 /nfs/dbraw/zinc/03/03/64/1226030364.db2.gz DTGADRXJNKEEAO-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716296 1226030772 /nfs/dbraw/zinc/03/07/72/1226030772.db2.gz GKFDWDJNGBGEKZ-BRWVUGGUSA-N 2 0 369.506 0.123 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CCCCC2)CC[N@@H+]1C ZINC001115543436 1221312643 /nfs/dbraw/zinc/31/26/43/1221312643.db2.gz ICFKKVKHBOKQIY-ZIAGYGMSSA-N 2 0 364.494 0.357 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001116040736 1221331866 /nfs/dbraw/zinc/33/18/66/1221331866.db2.gz WMOKFXIKJSQKFG-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001116040735 1221331932 /nfs/dbraw/zinc/33/19/32/1221331932.db2.gz WMOKFXIKJSQKFG-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149531 1226058783 /nfs/dbraw/zinc/05/87/83/1226058783.db2.gz MYRBOYYNHIVFLO-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001230284487 1226071488 /nfs/dbraw/zinc/07/14/88/1226071488.db2.gz HGZUAJPFOIEFHE-HUUCEWRRSA-N 2 0 367.494 0.286 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266707 1226069662 /nfs/dbraw/zinc/06/96/62/1226069662.db2.gz VVQIHQFZADVQET-HUUCEWRRSA-N 2 0 367.494 0.335 20 0 FCADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118572871 1221802492 /nfs/dbraw/zinc/80/24/92/1221802492.db2.gz XRVYCBFEXSVMDH-AWEZNQCLSA-N 2 0 358.450 0.966 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118678842 1221818423 /nfs/dbraw/zinc/81/84/23/1221818423.db2.gz RVLIQIMJNLDQOV-DLBZAZTESA-N 2 0 364.490 0.053 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)c2)C1 ZINC001119005368 1221854445 /nfs/dbraw/zinc/85/44/45/1221854445.db2.gz KPUWVYKTUSTUMR-XLAORIBOSA-N 2 0 356.470 0.608 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119065744 1221861949 /nfs/dbraw/zinc/86/19/49/1221861949.db2.gz AXQALQQCQAXKGD-OXJNMPFZSA-N 2 0 370.453 0.552 20 0 FCADRP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119297928 1221898217 /nfs/dbraw/zinc/89/82/17/1221898217.db2.gz ULFYADFQVLLXKB-OLMMMNRUSA-N 2 0 361.490 0.265 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001119356897 1221905277 /nfs/dbraw/zinc/90/52/77/1221905277.db2.gz MYVHHXZIDARWRB-GOEBONIOSA-N 2 0 365.522 0.047 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001119362808 1221906554 /nfs/dbraw/zinc/90/65/54/1221906554.db2.gz PKVVELYAZUHAPL-NUJGCVRESA-N 2 0 360.502 0.985 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410142 1221913298 /nfs/dbraw/zinc/91/32/98/1221913298.db2.gz UVYGVDWPMMXFHN-CVEARBPZSA-N 2 0 366.506 0.109 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC001119724956 1221957672 /nfs/dbraw/zinc/95/76/72/1221957672.db2.gz DNEHFADIPMFBEZ-DOTOQJQBSA-N 2 0 363.510 0.847 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC[N@H+](CCCO)Cc2cccnc2)O1 ZINC001230783465 1226087209 /nfs/dbraw/zinc/08/72/09/1226087209.db2.gz KCPATEXHMKLNPN-SJLPKXTDSA-N 2 0 364.490 0.491 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)c2)CC1 ZINC001120376888 1222074572 /nfs/dbraw/zinc/07/45/72/1222074572.db2.gz NQNCBLWCBVVOFD-PMACEKPBSA-N 2 0 363.502 0.426 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3NC(=O)CC34CC[NH2+]CC4)ccc21 ZINC001122181365 1222247974 /nfs/dbraw/zinc/24/79/74/1222247974.db2.gz IROOTQRXMIMPSU-UHFFFAOYSA-N 2 0 355.442 0.989 20 0 FCADRP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123695608 1222351466 /nfs/dbraw/zinc/35/14/66/1222351466.db2.gz UXMFGXVADWMSLV-WMZOPIPTSA-N 2 0 367.538 0.375 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC001123769893 1222356220 /nfs/dbraw/zinc/35/62/20/1222356220.db2.gz PJXLGUBWDFSCMR-BTHPGYMESA-N 2 0 372.513 0.374 20 0 FCADRP CCC[C@H]1CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001123886519 1222362796 /nfs/dbraw/zinc/36/27/96/1222362796.db2.gz QPPGUNKYXKSEQI-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](Cc2cncnc2)CC3)cn1 ZINC001137667709 1222415327 /nfs/dbraw/zinc/41/53/27/1222415327.db2.gz WDUDUUASJKSSBQ-UHFFFAOYSA-N 2 0 366.429 0.395 20 0 FCADRP CN(CCc1ccccc1F)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000839285746 1222718832 /nfs/dbraw/zinc/71/88/32/1222718832.db2.gz GUXKTGOJPXJQTC-UHFFFAOYSA-N 2 0 366.481 0.778 20 0 FCADRP COC(=O)c1cnc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)cn1 ZINC001141830134 1222780605 /nfs/dbraw/zinc/78/06/05/1222780605.db2.gz XYWSCJNIEQZSDQ-UHFFFAOYSA-N 2 0 361.446 0.249 20 0 FCADRP [NH3+]CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000841047040 1222806032 /nfs/dbraw/zinc/80/60/32/1222806032.db2.gz SQXIZEQKPVWVOH-OAHLLOKOSA-N 2 0 360.458 0.907 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000841149054 1222810057 /nfs/dbraw/zinc/81/00/57/1222810057.db2.gz CNCIRVPODRZPGT-UHFFFAOYSA-N 2 0 359.474 0.589 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841162870 1222811365 /nfs/dbraw/zinc/81/13/65/1222811365.db2.gz NEJGFHCNQJYUQP-OAHLLOKOSA-N 2 0 359.474 0.574 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841180067 1222811897 /nfs/dbraw/zinc/81/18/97/1222811897.db2.gz WQHQHFFMOKEOLM-JKSUJKDBSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841180061 1222812040 /nfs/dbraw/zinc/81/20/40/1222812040.db2.gz WQHQHFFMOKEOLM-CVEARBPZSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841180065 1222812085 /nfs/dbraw/zinc/81/20/85/1222812085.db2.gz WQHQHFFMOKEOLM-HZPDHXFCSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1 ZINC000841189393 1222812722 /nfs/dbraw/zinc/81/27/22/1222812722.db2.gz GKDVSLPPNHKLPZ-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841931250 1222832036 /nfs/dbraw/zinc/83/20/36/1222832036.db2.gz PYLOZIZLEIFZJU-OAHLLOKOSA-N 2 0 373.423 0.823 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000842203011 1222840802 /nfs/dbraw/zinc/84/08/02/1222840802.db2.gz OANWCLABQFGFAC-VXLLPVPCSA-N 2 0 366.506 0.474 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCCCCC[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000843262084 1222867861 /nfs/dbraw/zinc/86/78/61/1222867861.db2.gz NBNXGAKJWBSYMI-IAGOWNOFSA-N 2 0 367.538 0.106 20 0 FCADRP C[NH+]1CCC(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC1 ZINC001143307461 1222877471 /nfs/dbraw/zinc/87/74/71/1222877471.db2.gz ZFWUZYVVAROOEN-YESZJQIVSA-N 2 0 359.474 0.776 20 0 FCADRP CC[C@H](C(N)=O)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151138085 1222917610 /nfs/dbraw/zinc/91/76/10/1222917610.db2.gz SZXKGSZQPJLWEW-BZUAXINKSA-N 2 0 368.522 0.578 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703919 1226163992 /nfs/dbraw/zinc/16/39/92/1226163992.db2.gz ISTWFYDJLQGVJX-XLIONFOSSA-N 2 0 361.486 0.912 20 0 FCADRP Nc1cccnc1N1CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001154782995 1223018415 /nfs/dbraw/zinc/01/84/15/1223018415.db2.gz FYUIHWDAQCPRSD-UHFFFAOYSA-N 2 0 367.457 0.431 20 0 FCADRP O=C(c1cccnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001155597303 1223039471 /nfs/dbraw/zinc/03/94/71/1223039471.db2.gz LNPOJOGPCXDEIF-BEFAXECRSA-N 2 0 359.474 0.698 20 0 FCADRP Cc1cnc(N([C@@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)nc1C1C[NH2+]C1 ZINC001157122015 1223068721 /nfs/dbraw/zinc/06/87/21/1223068721.db2.gz WASXUUYTOPHEQG-CQSZACIVSA-N 2 0 374.470 0.424 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2)C(=O)N1CCCC1 ZINC001157370894 1223075592 /nfs/dbraw/zinc/07/55/92/1223075592.db2.gz KBODTKYFSMJVIF-FRQCXROJSA-N 2 0 366.506 0.381 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001157715817 1223081374 /nfs/dbraw/zinc/08/13/74/1223081374.db2.gz IGDJQGKZLDVNTE-MSOLQXFVSA-N 2 0 357.458 0.248 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C[C@@H]1[NH3+] ZINC001157810719 1223082095 /nfs/dbraw/zinc/08/20/95/1223082095.db2.gz RZGKPBYRUDJFBX-RLCCDNCMSA-N 2 0 359.426 0.954 20 0 FCADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960572 1223084899 /nfs/dbraw/zinc/08/48/99/1223084899.db2.gz LNAFJFWSQYNTQZ-JKSUJKDBSA-N 2 0 367.457 0.097 20 0 FCADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001158070101 1223088171 /nfs/dbraw/zinc/08/81/71/1223088171.db2.gz ABOOQTPNQGZBPC-UHFFFAOYSA-N 2 0 358.486 0.975 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001158083254 1223088494 /nfs/dbraw/zinc/08/84/94/1223088494.db2.gz ZMGYXGNFIDKUSS-QRWLVFNGSA-N 2 0 354.454 0.826 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001158083252 1223088701 /nfs/dbraw/zinc/08/87/01/1223088701.db2.gz ZMGYXGNFIDKUSS-MGPUTAFESA-N 2 0 354.454 0.826 20 0 FCADRP O=C([C@@H]1CC[C@H](c2ccccc2)[NH2+]C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120233 1223089433 /nfs/dbraw/zinc/08/94/33/1223089433.db2.gz KQMFHLDWICUWMP-LZJOCLMNSA-N 2 0 368.481 0.665 20 0 FCADRP O=C([C@H]1C[NH2+]CCN1)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137818 1223089440 /nfs/dbraw/zinc/08/94/40/1223089440.db2.gz GWEXZQOUEOJCSW-RTBURBONSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(c1ccccc1C1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120424 1223089751 /nfs/dbraw/zinc/08/97/51/1223089751.db2.gz PLTQSLJBKFOVHF-NRFANRHFSA-N 2 0 368.481 0.705 20 0 FCADRP O=C([C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305078 1223094462 /nfs/dbraw/zinc/09/44/62/1223094462.db2.gz BPACOYSLASWZQN-KFKAGJAMSA-N 2 0 353.470 0.935 20 0 FCADRP CC(C)CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158330817 1223094843 /nfs/dbraw/zinc/09/48/43/1223094843.db2.gz VSVUEOBQXDNABN-IAGOWNOFSA-N 2 0 370.538 0.601 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001158411612 1223097044 /nfs/dbraw/zinc/09/70/44/1223097044.db2.gz IUDVSAXWKUJSPC-QLFBSQMISA-N 2 0 369.510 0.435 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158420892 1223097466 /nfs/dbraw/zinc/09/74/66/1223097466.db2.gz AFAGLDOUGGHYMC-ARFHVFGLSA-N 2 0 357.410 0.721 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC001158467391 1223099440 /nfs/dbraw/zinc/09/94/40/1223099440.db2.gz HMRFQMWYLRTECZ-YZVOILCLSA-N 2 0 365.474 0.146 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC001158499073 1223100659 /nfs/dbraw/zinc/10/06/59/1223100659.db2.gz VPUOFRFLUMNNRX-AMVTXUCVSA-N 2 0 363.433 0.838 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533300 1223101686 /nfs/dbraw/zinc/10/16/86/1223101686.db2.gz JZHLWNNNGRVSPZ-JSFADZTLSA-N 3 0 362.518 0.430 20 0 FCADRP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001158533582 1223101711 /nfs/dbraw/zinc/10/17/11/1223101711.db2.gz OCCFWNQUSBEKKD-YRISNDGFSA-N 2 0 370.497 0.973 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555281 1223102518 /nfs/dbraw/zinc/10/25/18/1223102518.db2.gz KXXSXEYANNJEPC-XSYGEPLQSA-N 2 0 357.454 0.743 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555276 1223102548 /nfs/dbraw/zinc/10/25/48/1223102548.db2.gz KXXSXEYANNJEPC-XFKSJGNHSA-N 2 0 357.454 0.743 20 0 FCADRP O=C(c1cccc(CN2CC[NH2+]CC2)c1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546829 1223102569 /nfs/dbraw/zinc/10/25/69/1223102569.db2.gz MSOMRNMVUNSBMV-QKNQBKEWSA-N 2 0 370.497 0.685 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891370 1223112064 /nfs/dbraw/zinc/11/20/64/1223112064.db2.gz YBQBFGBPSLWDRB-DHSIGJKJSA-N 2 0 374.420 0.368 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158925182 1223112591 /nfs/dbraw/zinc/11/25/91/1223112591.db2.gz HVEDWLBEKJDYCB-LJQANCHMSA-N 2 0 362.449 0.715 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935467 1223113320 /nfs/dbraw/zinc/11/33/20/1223113320.db2.gz STNAODVXMLUNQB-OKZBNKHCSA-N 2 0 373.501 0.843 20 0 FCADRP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]2C[NH2+]CC24C[NH2+]C4)CC3)cn1 ZINC001158983655 1223114790 /nfs/dbraw/zinc/11/47/90/1223114790.db2.gz WJZMLUCQLAYRPT-HOCLYGCPSA-N 2 0 359.474 0.094 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159136532 1223118268 /nfs/dbraw/zinc/11/82/68/1223118268.db2.gz XRVBOLICVJNUHQ-OKZBNKHCSA-N 2 0 354.458 0.560 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159133273 1223118447 /nfs/dbraw/zinc/11/84/47/1223118447.db2.gz ICHGMJDFFRZRBN-BBWFWOEESA-N 2 0 357.458 0.207 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001159134444 1223118511 /nfs/dbraw/zinc/11/85/11/1223118511.db2.gz NXVHYMMIYBJBNA-CVEARBPZSA-N 3 0 360.506 0.277 20 0 FCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001159191022 1223120028 /nfs/dbraw/zinc/12/00/28/1223120028.db2.gz QGFJBXRBQISILX-JSGCOSHPSA-N 2 0 363.462 0.239 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210604 1223120558 /nfs/dbraw/zinc/12/05/58/1223120558.db2.gz SSTRTDQVPFQUAZ-WNRNVDISSA-N 2 0 362.474 0.541 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316204 1223123939 /nfs/dbraw/zinc/12/39/39/1223123939.db2.gz DFVFMHFNXOWFDO-WNRNVDISSA-N 3 0 361.490 0.196 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338477 1223124453 /nfs/dbraw/zinc/12/44/53/1223124453.db2.gz FHYSCOBBWMGCGO-WFXMLNOXSA-N 3 0 370.497 0.658 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338474 1223124559 /nfs/dbraw/zinc/12/45/59/1223124559.db2.gz FHYSCOBBWMGCGO-BBTUJRGHSA-N 3 0 370.497 0.658 20 0 FCADRP Cc1cccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159341014 1223125224 /nfs/dbraw/zinc/12/52/24/1223125224.db2.gz ZJXGIDGTSOBPGU-IEBWSBKVSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2ccccc2C[NH3+])CC3)CC1 ZINC001159426042 1223126833 /nfs/dbraw/zinc/12/68/33/1223126833.db2.gz VKFMYPPLIGZFRI-UHFFFAOYSA-N 2 0 368.485 0.745 20 0 FCADRP CN(Cc1cccnc1)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425114 1223126837 /nfs/dbraw/zinc/12/68/37/1223126837.db2.gz PSOYFPLUYSTWGG-MLHJIOFPSA-N 2 0 361.490 0.338 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC[C@@H]21 ZINC001159533376 1223129099 /nfs/dbraw/zinc/12/90/99/1223129099.db2.gz DTYPOSREDBCAGO-ICUGJSFKSA-N 2 0 361.490 0.306 20 0 FCADRP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159548405 1223129116 /nfs/dbraw/zinc/12/91/16/1223129116.db2.gz ADBTZUIPKAZSKM-IFXJQAMLSA-N 2 0 358.490 0.209 20 0 FCADRP [NH3+][C@H]1CC[C@@H]1C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573700 1223129739 /nfs/dbraw/zinc/12/97/39/1223129739.db2.gz DLFZASDGTQUZIL-ZFWWWQNUSA-N 2 0 356.474 0.955 20 0 FCADRP O=C(c1ccccc1Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[NH2+]CC1 ZINC001159555472 1223129776 /nfs/dbraw/zinc/12/97/76/1223129776.db2.gz YUSQNNOAYHSETF-UHFFFAOYSA-N 2 0 367.457 0.675 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159584103 1223130031 /nfs/dbraw/zinc/13/00/31/1223130031.db2.gz GNLGNOQJUZWMBP-CVEARBPZSA-N 2 0 359.474 0.077 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)[C@H]2C ZINC001159633789 1223131783 /nfs/dbraw/zinc/13/17/83/1223131783.db2.gz RCRXTILQFWDYRN-PSLQGDIJSA-N 2 0 360.506 0.848 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834573 1223137440 /nfs/dbraw/zinc/13/74/40/1223137440.db2.gz VONHCVVHGVBYTQ-VNQPRFMTSA-N 2 0 374.514 0.869 20 0 FCADRP CC(=O)OC[C@H](N)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855225 1223137994 /nfs/dbraw/zinc/13/79/94/1223137994.db2.gz JDWYXVVJQVPQEP-OIISXLGYSA-N 2 0 365.405 0.380 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887481 1223138729 /nfs/dbraw/zinc/13/87/29/1223138729.db2.gz WEZJHYYRNTUCDY-PKOBYXMFSA-N 2 0 374.489 0.001 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887479 1223139060 /nfs/dbraw/zinc/13/90/60/1223139060.db2.gz WEZJHYYRNTUCDY-IEBWSBKVSA-N 2 0 374.489 0.001 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001159930791 1223140003 /nfs/dbraw/zinc/14/00/03/1223140003.db2.gz XMBJWSGXWDOHLW-OWCLPIDISA-N 2 0 368.522 0.672 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159980081 1223141462 /nfs/dbraw/zinc/14/14/62/1223141462.db2.gz ITPWFMSRGNGVDX-INIZCTEOSA-N 2 0 373.505 0.919 20 0 FCADRP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C[NH2+]CCC[NH3+])C[C@H]12 ZINC001159993446 1223142255 /nfs/dbraw/zinc/14/22/55/1223142255.db2.gz OZPSGRLAERVYCR-AZUAARDMSA-N 2 0 358.486 0.716 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054116 1223143233 /nfs/dbraw/zinc/14/32/33/1223143233.db2.gz XKEIOOMCYKMJDS-CDSLXBQBSA-N 2 0 357.458 0.495 20 0 FCADRP Cc1ccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053277 1223143584 /nfs/dbraw/zinc/14/35/84/1223143584.db2.gz REUFXUUFBLSOCA-LZQZEXGQSA-N 2 0 374.489 0.110 20 0 FCADRP COC[C@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160060044 1223144081 /nfs/dbraw/zinc/14/40/81/1223144081.db2.gz SMZALYIBMOMRLW-RDJZCZTQSA-N 2 0 368.522 0.029 20 0 FCADRP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@H]4C[NH2+]CC45C[NH2+]C5)C3)CC2=O)s1 ZINC001160095233 1223145137 /nfs/dbraw/zinc/14/51/37/1223145137.db2.gz UGDKJDMYDMSTFT-KBXCAEBGSA-N 2 0 374.510 0.821 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172355 1223147543 /nfs/dbraw/zinc/14/75/43/1223147543.db2.gz VYEJAWYKMUKTQX-CRAIPNDOSA-N 2 0 367.453 0.861 20 0 FCADRP [NH3+][C@H](C(=O)N1CCc2onc(COc3ccccn3)c2C1)C1CC[NH2+]CC1 ZINC001160177891 1223148219 /nfs/dbraw/zinc/14/82/19/1223148219.db2.gz AIDVWKPQEPADMR-SFHVURJKSA-N 2 0 371.441 0.860 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001160247444 1223152282 /nfs/dbraw/zinc/15/22/82/1223152282.db2.gz BICIITUQPRGOAJ-SFHVURJKSA-N 2 0 364.534 0.935 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408346 1223157852 /nfs/dbraw/zinc/15/78/52/1223157852.db2.gz NKPSVTFMQRAEIM-AWEZNQCLSA-N 2 0 371.445 0.078 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406461 1223158038 /nfs/dbraw/zinc/15/80/38/1223158038.db2.gz UFVQSDFCRGHRIW-AWEZNQCLSA-N 3 0 372.477 0.156 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001160424383 1223159353 /nfs/dbraw/zinc/15/93/53/1223159353.db2.gz SKVVLPSXUDZSMX-LZBKUMLDSA-N 2 0 357.502 0.687 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cccnc1)Cc1ccccn1 ZINC001160448327 1223159583 /nfs/dbraw/zinc/15/95/83/1223159583.db2.gz DPKIAAXHISZEAX-IBGZPJMESA-N 2 0 368.485 0.756 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001160435796 1223159649 /nfs/dbraw/zinc/15/96/49/1223159649.db2.gz MXKFMUDIRLWYBO-HRCADAONSA-N 2 0 368.441 0.788 20 0 FCADRP Cc1cc(CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n(C)n1 ZINC001160476098 1223161938 /nfs/dbraw/zinc/16/19/38/1223161938.db2.gz ZKYILFFAFWGTBU-HOTGVXAUSA-N 2 0 364.494 0.134 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490856 1223162633 /nfs/dbraw/zinc/16/26/33/1223162633.db2.gz JVLILRSEERIDOD-KRWDZBQOSA-N 2 0 357.458 0.756 20 0 FCADRP O=C(c1c[nH]c2ccccc21)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160536787 1223164221 /nfs/dbraw/zinc/16/42/21/1223164221.db2.gz ABKPZZIGMSOGOA-MRXNPFEDSA-N 2 0 367.453 0.261 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2ncccc2C1 ZINC001160548199 1223164872 /nfs/dbraw/zinc/16/48/72/1223164872.db2.gz AEBMWWZRHXYFTH-RDJZCZTQSA-N 2 0 359.474 0.414 20 0 FCADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001160697647 1223168576 /nfs/dbraw/zinc/16/85/76/1223168576.db2.gz BRXUEEJOZQPFGR-QYZOEREBSA-N 2 0 372.513 0.924 20 0 FCADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160698216 1223168605 /nfs/dbraw/zinc/16/86/05/1223168605.db2.gz HQXHNFOWCJOWOM-JYJNAYRXSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(COC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1)NC1CC1 ZINC001160743668 1223170711 /nfs/dbraw/zinc/17/07/11/1223170711.db2.gz YEWSGYAKVMTKLR-MRXNPFEDSA-N 2 0 364.490 0.147 20 0 FCADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780837 1223172382 /nfs/dbraw/zinc/17/23/82/1223172382.db2.gz XABRDTHNJXBQJB-WWMYMODYSA-N 2 0 368.481 0.102 20 0 FCADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787569 1223172411 /nfs/dbraw/zinc/17/24/11/1223172411.db2.gz LHDRYBZQSSQOFP-ZFWWWQNUSA-N 2 0 361.446 0.273 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]1C2 ZINC001160799936 1223173778 /nfs/dbraw/zinc/17/37/78/1223173778.db2.gz OKBKWTYGNDSBQR-JUIVLLAYSA-N 2 0 358.442 0.618 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160811110 1223174497 /nfs/dbraw/zinc/17/44/97/1223174497.db2.gz JGAIZHMQRNIOJM-WIYYLYMNSA-N 2 0 371.481 0.876 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3Cc4cc(O)ccc4C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811330 1223174926 /nfs/dbraw/zinc/17/49/26/1223174926.db2.gz NSHPFRYOVSHZHW-WRWLIDTKSA-N 2 0 373.453 0.408 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CC34CCOCC4)C[C@H]1C[NH2+]CC2 ZINC001160811120 1223174975 /nfs/dbraw/zinc/17/49/75/1223174975.db2.gz JOMBFRGMHVIKPY-ZRGWGRIASA-N 2 0 365.474 0.004 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3ccc([C@H](N)C[NH3+])cc3)C[C@H]1C[NH2+]CC2 ZINC001160819537 1223176029 /nfs/dbraw/zinc/17/60/29/1223176029.db2.gz RNXHNJMLONFDHV-GPMSIDNRSA-N 2 0 360.458 0.260 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001160839985 1223176549 /nfs/dbraw/zinc/17/65/49/1223176549.db2.gz STSGCLFPJIFEOZ-HQRMLTQVSA-N 2 0 358.486 0.501 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(Cc3ccccc3O2)CC1 ZINC001160827855 1223176699 /nfs/dbraw/zinc/17/66/99/1223176699.db2.gz UPGYDXBSFNIGMW-KRWDZBQOSA-N 2 0 358.486 0.733 20 0 FCADRP CO[C@H](CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)c1ccccc1 ZINC001160905544 1223180356 /nfs/dbraw/zinc/18/03/56/1223180356.db2.gz PSQUTBKOKPPDPN-SFHLNBCPSA-N 2 0 372.513 0.717 20 0 FCADRP CO[C@H](CN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906089 1223180390 /nfs/dbraw/zinc/18/03/90/1223180390.db2.gz BLXPRDCFROVOBN-RTBURBONSA-N 2 0 360.502 0.845 20 0 FCADRP CO[C@@H](CN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906088 1223180638 /nfs/dbraw/zinc/18/06/38/1223180638.db2.gz BLXPRDCFROVOBN-RBUKOAKNSA-N 2 0 360.502 0.845 20 0 FCADRP [NH3+]CCc1cn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2cc[nH+]cc12 ZINC001160949788 1223181899 /nfs/dbraw/zinc/18/18/99/1223181899.db2.gz FJTMGWCNTBIBNR-UHFFFAOYSA-N 3 0 365.441 0.757 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967167 1223182346 /nfs/dbraw/zinc/18/23/46/1223182346.db2.gz JVLLMKOIDYOIFL-STQMWFEESA-N 2 0 369.416 0.504 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000067 1223182429 /nfs/dbraw/zinc/18/24/29/1223182429.db2.gz OWBZHACFPCWMSL-IRXDYDNUSA-N 2 0 360.502 0.598 20 0 FCADRP CN(Cc1ccc(-n2ccnc2)cc1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161030890 1223184128 /nfs/dbraw/zinc/18/41/28/1223184128.db2.gz KOOXBNNBAZVDRG-GOSISDBHSA-N 2 0 356.474 0.581 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161039349 1223184212 /nfs/dbraw/zinc/18/42/12/1223184212.db2.gz RWPGJSHCLMDJFT-HNNXBMFYSA-N 2 0 373.428 0.961 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062461 1223184404 /nfs/dbraw/zinc/18/44/04/1223184404.db2.gz KGYCCRJQIJAFNQ-UGUYLWEFSA-N 2 0 368.522 0.848 20 0 FCADRP CN(Cc1ccc(-n2ccnc2)cc1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161030891 1223184497 /nfs/dbraw/zinc/18/44/97/1223184497.db2.gz KOOXBNNBAZVDRG-SFHVURJKSA-N 2 0 356.474 0.581 20 0 FCADRP CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061568 1223184541 /nfs/dbraw/zinc/18/45/41/1223184541.db2.gz HGVVNQCGKSKJQX-SZMVWBNQSA-N 2 0 371.485 0.882 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1c1ccc(F)cc1 ZINC001161085119 1223185058 /nfs/dbraw/zinc/18/50/58/1223185058.db2.gz NPMRGJXTLIHGKP-PMPSAXMXSA-N 2 0 361.417 0.350 20 0 FCADRP C[C@]1(CC(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161196232 1223188486 /nfs/dbraw/zinc/18/84/86/1223188486.db2.gz AXZOPKJORNCUQN-HXUWFJFHSA-N 2 0 366.550 0.927 20 0 FCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)OC1 ZINC001161198825 1223189324 /nfs/dbraw/zinc/18/93/24/1223189324.db2.gz ZKKGTFCXOVBDBG-MSOLQXFVSA-N 2 0 368.522 0.043 20 0 FCADRP COc1ccc(C(=O)N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)cc1 ZINC001161303205 1223194868 /nfs/dbraw/zinc/19/48/68/1223194868.db2.gz BWDZZFZUKVKJKN-OXQOHEQNSA-N 2 0 372.469 0.179 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161308964 1223195035 /nfs/dbraw/zinc/19/50/35/1223195035.db2.gz JWHFMBMAJSWEOE-INIZCTEOSA-N 3 0 362.478 0.206 20 0 FCADRP COc1ccnc(N(C(=O)[C@@H]([NH3+])Cc2cncn2C)C2CC[NH2+]CC2)c1 ZINC001161389509 1223197994 /nfs/dbraw/zinc/19/79/94/1223197994.db2.gz QOANNSHYWMMQBP-INIZCTEOSA-N 2 0 358.446 0.479 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423874 1223198970 /nfs/dbraw/zinc/19/89/70/1223198970.db2.gz RBULHNYHGHCSKA-PBHICJAKSA-N 2 0 355.442 0.070 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161449716 1223199572 /nfs/dbraw/zinc/19/95/72/1223199572.db2.gz QJTUVTOOABKJER-HZPDHXFCSA-N 3 0 361.490 0.578 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c3ncccc13)CC2 ZINC001161478212 1223200702 /nfs/dbraw/zinc/20/07/02/1223200702.db2.gz LKVZEVNBPBHHGM-DOXZYTNZSA-N 2 0 371.441 0.186 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(F)ccc31)CC2 ZINC001161478780 1223200798 /nfs/dbraw/zinc/20/07/98/1223200798.db2.gz NZSXFFOXPQOZHT-GJYPPUQNSA-N 2 0 361.417 0.766 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC2 ZINC001161480609 1223200980 /nfs/dbraw/zinc/20/09/80/1223200980.db2.gz PMBKVPWDXJFPFH-VFVRVIDISA-N 2 0 369.462 0.189 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]1C[NH2+]Cc3cccn3C1)CC2 ZINC001161478352 1223201066 /nfs/dbraw/zinc/20/10/66/1223201066.db2.gz LYKVEVUGSLRTAH-OGWOLHLISA-N 2 0 360.458 0.351 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(OC)ccc31)CC2 ZINC001161481657 1223201301 /nfs/dbraw/zinc/20/13/01/1223201301.db2.gz YVFMJMBROWZSJZ-UWVAXJGDSA-N 2 0 373.453 0.636 20 0 FCADRP COc1ccc(CC2(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)CC[NH2+]CC2)cc1 ZINC001161511361 1223202662 /nfs/dbraw/zinc/20/26/62/1223202662.db2.gz YYJNTQFPAHSIHW-KRWDZBQOSA-N 2 0 359.470 0.794 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c2cc3ccccc3o2)C1 ZINC001161511423 1223203144 /nfs/dbraw/zinc/20/31/44/1223203144.db2.gz ZJFPJEOPLFGOFV-JLSDUUJJSA-N 2 0 370.453 0.693 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC001161529781 1223204372 /nfs/dbraw/zinc/20/43/72/1223204372.db2.gz HBOFHXAKASWOJD-HACGYAERSA-N 2 0 371.485 0.881 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001161665894 1223206318 /nfs/dbraw/zinc/20/63/18/1223206318.db2.gz HPPXRMZSPBIYMU-SHTZXODSSA-N 2 0 361.494 0.287 20 0 FCADRP c1cc(NCc2nnn3c2C[NH2+]CCC3)cn2nc([C@@H]3CC[NH2+]C3)nc12 ZINC001162978178 1223222891 /nfs/dbraw/zinc/22/28/91/1223222891.db2.gz TULAUZUEBAAMFI-GFCCVEGCSA-N 2 0 353.434 0.503 20 0 FCADRP c1c([C@@H]2C[NH2+]CCO2)nc2cccc(NCc3nnc4n3CCC[NH2+]C4)n12 ZINC001163022219 1223224092 /nfs/dbraw/zinc/22/40/92/1223224092.db2.gz QVMNWLQOMCATMD-AWEZNQCLSA-N 2 0 368.445 0.692 20 0 FCADRP [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001163253018 1223228292 /nfs/dbraw/zinc/22/82/92/1223228292.db2.gz JZYLDBGEVPNABA-XBQLXHJASA-N 2 0 357.458 0.676 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001163531332 1223232483 /nfs/dbraw/zinc/23/24/83/1223232483.db2.gz SGKVWXQPNOYGQU-UHFFFAOYSA-N 2 0 363.462 0.858 20 0 FCADRP [NH3+]CCN(CCO)c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001163837148 1223234595 /nfs/dbraw/zinc/23/45/95/1223234595.db2.gz SMMPZQVHIIGJGB-UHFFFAOYSA-N 2 0 361.490 0.539 20 0 FCADRP CCCn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582287 1223240163 /nfs/dbraw/zinc/24/01/63/1223240163.db2.gz GFGNQAUYWLHJHQ-HUUCEWRRSA-N 2 0 363.510 0.799 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ncnc3c2CC[NH2+]C3)nc1 ZINC001165460570 1223246696 /nfs/dbraw/zinc/24/66/96/1223246696.db2.gz UAJCZHKWLKNRJI-UHFFFAOYSA-N 2 0 364.413 0.884 20 0 FCADRP Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)nn1C ZINC001165729136 1223255657 /nfs/dbraw/zinc/25/56/57/1223255657.db2.gz ZSVLVRQEOMVUIJ-NVXWUHKLSA-N 2 0 363.506 0.824 20 0 FCADRP Cc1c(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cnn1C ZINC001204570853 1223304052 /nfs/dbraw/zinc/30/40/52/1223304052.db2.gz FQUVDINSXAYJFL-UHFFFAOYSA-N 2 0 362.522 0.399 20 0 FCADRP Cc1cncn1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205156843 1223313631 /nfs/dbraw/zinc/31/36/31/1223313631.db2.gz HNAUYTZNXXCGCL-QZTJIDSGSA-N 2 0 358.442 0.258 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205499713 1223328578 /nfs/dbraw/zinc/32/85/78/1223328578.db2.gz LBNHRXBSTMWKEL-YESZJQIVSA-N 2 0 371.497 0.598 20 0 FCADRP CCNC(=O)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510781 1223329447 /nfs/dbraw/zinc/32/94/47/1223329447.db2.gz GYADJYRWACPEQP-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC2(CC[NH+](CC3CC3)CC2)[C@H]2COC[C@H]21 ZINC001205516758 1223330165 /nfs/dbraw/zinc/33/01/65/1223330165.db2.gz UKYDHBOQVOBNHR-ZWKOTPCHSA-N 2 0 365.518 0.914 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205674389 1223334397 /nfs/dbraw/zinc/33/43/97/1223334397.db2.gz OUCKUQCWZVTGJM-UKPHBRMFSA-N 2 0 364.465 0.925 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001207001375 1223403234 /nfs/dbraw/zinc/40/32/34/1223403234.db2.gz WFYSFBULWOJADF-YYIAUSFCSA-N 2 0 367.538 0.861 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001207395549 1223442723 /nfs/dbraw/zinc/44/27/23/1223442723.db2.gz UINLWBKEFLKMIL-SFHVURJKSA-N 2 0 365.518 0.916 20 0 FCADRP CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207396030 1223443665 /nfs/dbraw/zinc/44/36/65/1223443665.db2.gz ARBRKMFKTDRWFE-QGZVFWFLSA-N 2 0 363.506 0.762 20 0 FCADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435334 1223446178 /nfs/dbraw/zinc/44/61/78/1223446178.db2.gz LFQOWHABDQTIHZ-HXUWFJFHSA-N 2 0 371.485 0.721 20 0 FCADRP Cn1nnc2c1CCN(CC1CC[NH2+]CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001207435331 1223446904 /nfs/dbraw/zinc/44/69/04/1223446904.db2.gz LEBBITBPRICVJW-SFHVURJKSA-N 2 0 362.522 0.826 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750781 1223476267 /nfs/dbraw/zinc/47/62/67/1223476267.db2.gz YELVXPUSUUZLHI-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485953 1223551219 /nfs/dbraw/zinc/55/12/19/1223551219.db2.gz XRMYEFQRGXMJHQ-GDBMZVCRSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493292 1223551639 /nfs/dbraw/zinc/55/16/39/1223551639.db2.gz YKAMMUPAASURSG-CRAIPNDOSA-N 2 0 371.485 0.785 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496480 1223552557 /nfs/dbraw/zinc/55/25/57/1223552557.db2.gz VMIVGXYSOFPMDX-QGPMSJSTSA-N 2 0 367.465 0.954 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610630 1223562789 /nfs/dbraw/zinc/56/27/89/1223562789.db2.gz RIXDDPQJGOUTNA-YLFCFFPRSA-N 2 0 359.474 0.951 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738931 1223575076 /nfs/dbraw/zinc/57/50/76/1223575076.db2.gz LWRWROGBCIGIAU-FGTMMUONSA-N 2 0 363.506 0.821 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+](CCC[NH+](C)C)CC2)C1=O ZINC001276611759 1223596144 /nfs/dbraw/zinc/59/61/44/1223596144.db2.gz WMSGDHGYICBNQL-LPHOPBHVSA-N 2 0 369.506 0.831 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001209335830 1223611626 /nfs/dbraw/zinc/61/16/26/1223611626.db2.gz WNISJQUGODGHSM-OAHLLOKOSA-N 2 0 360.502 0.817 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698557 1223642188 /nfs/dbraw/zinc/64/21/88/1223642188.db2.gz QXLYWZIGFVYTBL-SJLPKXTDSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837067 1223652794 /nfs/dbraw/zinc/65/27/94/1223652794.db2.gz VEXXJYOIOHXVOC-RHSMWYFYSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1nnc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001209836990 1223652961 /nfs/dbraw/zinc/65/29/61/1223652961.db2.gz UCAFSBOTTOGEAJ-XJKCOSOUSA-N 2 0 365.478 0.986 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210040194 1223662742 /nfs/dbraw/zinc/66/27/42/1223662742.db2.gz CKAOBQQTUFKGGR-HUUCEWRRSA-N 2 0 365.526 0.749 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031318 1223719979 /nfs/dbraw/zinc/71/99/79/1223719979.db2.gz BPWWFJZACZZXTL-ZIFCJYIRSA-N 2 0 361.486 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213191462 1223765603 /nfs/dbraw/zinc/76/56/03/1223765603.db2.gz AUFFHAQPSIHHGZ-RVKOJVRFSA-N 2 0 367.490 0.090 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346611 1223788937 /nfs/dbraw/zinc/78/89/37/1223788937.db2.gz VIVSQDUOIFSCLR-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369547 1223791242 /nfs/dbraw/zinc/79/12/42/1223791242.db2.gz VHOXHYWXQXAEDQ-KZNAEPCWSA-N 2 0 369.506 0.339 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213598245 1223820765 /nfs/dbraw/zinc/82/07/65/1223820765.db2.gz DZFWFRZAJVJBQJ-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728739 1223840232 /nfs/dbraw/zinc/84/02/32/1223840232.db2.gz RAKWLIHHBRVYTB-RRFJBIMHSA-N 2 0 366.506 0.201 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759770 1223845416 /nfs/dbraw/zinc/84/54/16/1223845416.db2.gz ZSVVTDJMGOMOJN-GVDBMIGSSA-N 2 0 370.538 0.694 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)CC[N@@H+]1C ZINC000978152462 1248707993 /nfs/dbraw/zinc/70/79/93/1248707993.db2.gz FPPWHIHCULZDKV-LTFXXXRZSA-N 2 0 359.518 0.987 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001214343688 1223902935 /nfs/dbraw/zinc/90/29/35/1223902935.db2.gz CKXPMWDCVWURTL-KBRIMQKVSA-N 2 0 362.518 0.822 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)no1 ZINC001214664191 1223929970 /nfs/dbraw/zinc/92/99/70/1223929970.db2.gz PGRUWTXUSNMHKQ-NMFUWQPSSA-N 2 0 363.462 0.698 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001214668071 1223930627 /nfs/dbraw/zinc/93/06/27/1223930627.db2.gz OOADNCYFNLAEAT-LXTVHRRPSA-N 2 0 363.462 0.780 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214863809 1223949186 /nfs/dbraw/zinc/94/91/86/1223949186.db2.gz XKAZJGQZKWBCKK-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889550 1223952390 /nfs/dbraw/zinc/95/23/90/1223952390.db2.gz MJMVPRAXCCDLMQ-KBAYOESNSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001215001940 1223962870 /nfs/dbraw/zinc/96/28/70/1223962870.db2.gz VEBZHRXOJGGRKS-ZIAGYGMSSA-N 2 0 362.478 0.582 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056677 1223969026 /nfs/dbraw/zinc/96/90/26/1223969026.db2.gz AQJQFLDCVXXGLH-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1C ZINC001215161745 1223979156 /nfs/dbraw/zinc/97/91/56/1223979156.db2.gz CSHSRQBRQSUWJM-NVXWUHKLSA-N 2 0 364.490 0.861 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215199964 1223981545 /nfs/dbraw/zinc/98/15/45/1223981545.db2.gz MPKTVQVYQACVRM-BZUAXINKSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215234401 1223984838 /nfs/dbraw/zinc/98/48/38/1223984838.db2.gz SVEGCRZSITVCTN-MGPQQGTHSA-N 2 0 367.494 0.271 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215298991 1223991188 /nfs/dbraw/zinc/99/11/88/1223991188.db2.gz QGOQYAPBVRWKEO-BRWVUGGUSA-N 2 0 363.506 0.555 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215416761 1223998430 /nfs/dbraw/zinc/99/84/30/1223998430.db2.gz ZVWMDJUMRMFIOJ-GDBMZVCRSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1F ZINC001215459118 1224000849 /nfs/dbraw/zinc/00/08/49/1224000849.db2.gz YDUFYDXKKIAKEU-HLLBOEOZSA-N 2 0 367.465 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001215463171 1224000858 /nfs/dbraw/zinc/00/08/58/1224000858.db2.gz KSYKQEBSKLTRCR-QGPMSJSTSA-N 2 0 367.465 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC001215460751 1224000865 /nfs/dbraw/zinc/00/08/65/1224000865.db2.gz FOWVKTNHMFVFMF-RHSMWYFYSA-N 2 0 364.465 0.830 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215557946 1224005814 /nfs/dbraw/zinc/00/58/14/1224005814.db2.gz GBPWOPDJIHPZOP-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276724559 1224006063 /nfs/dbraw/zinc/00/60/63/1224006063.db2.gz YBHYPYVPYBSGEX-LJQANCHMSA-N 2 0 360.458 0.998 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1)[NH+]1CCCC1 ZINC001215599026 1224008985 /nfs/dbraw/zinc/00/89/85/1224008985.db2.gz OCONTCDHXFTZTD-IXDOHACOSA-N 2 0 364.494 0.216 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773929 1224016956 /nfs/dbraw/zinc/01/69/56/1224016956.db2.gz DUMHBBNSLCJEGE-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)C(C)C ZINC001215977149 1224028420 /nfs/dbraw/zinc/02/84/20/1224028420.db2.gz HTNKYRUMMAGZRE-IIAWOOMASA-N 2 0 369.510 0.245 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216002515 1224029225 /nfs/dbraw/zinc/02/92/25/1224029225.db2.gz SPSUTUJQAFHUIF-ZIAGYGMSSA-N 2 0 369.510 0.389 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216099585 1224034151 /nfs/dbraw/zinc/03/41/51/1224034151.db2.gz UUINKABMJOOJDH-JKIFEVAISA-N 2 0 366.506 0.201 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216324254 1224044573 /nfs/dbraw/zinc/04/45/73/1224044573.db2.gz SINZHJNEGBTZPZ-RBSFLKMASA-N 2 0 367.494 0.272 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001216401924 1224048744 /nfs/dbraw/zinc/04/87/44/1224048744.db2.gz QOVWXPCOTOGSQY-GVDBMIGSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001216752411 1224068611 /nfs/dbraw/zinc/06/86/11/1224068611.db2.gz NXSDAMSWVQMCDR-BFYDXBDKSA-N 2 0 362.474 0.626 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001216754167 1224068652 /nfs/dbraw/zinc/06/86/52/1224068652.db2.gz JSQTXJUHLJIDSG-KBRIMQKVSA-N 2 0 362.518 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001216772881 1224071155 /nfs/dbraw/zinc/07/11/55/1224071155.db2.gz OMELCPANMZHHSU-OWCLPIDISA-N 2 0 364.490 0.494 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216774412 1224071382 /nfs/dbraw/zinc/07/13/82/1224071382.db2.gz WSNMWKFULPBZDW-QLFBSQMISA-N 2 0 367.494 0.272 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)cc1 ZINC001217010195 1224084222 /nfs/dbraw/zinc/08/42/22/1224084222.db2.gz JRTMNUGXWGGDOL-SJLPKXTDSA-N 2 0 369.469 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC001217009809 1224084344 /nfs/dbraw/zinc/08/43/44/1224084344.db2.gz GHFCYAWERHBJIJ-SOLBZPMBSA-N 2 0 358.442 0.760 20 0 FCADRP CC(C)CN(C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C)C1CC1 ZINC001217009730 1224084424 /nfs/dbraw/zinc/08/44/24/1224084424.db2.gz DUKPWHZJBMNLJR-NVXWUHKLSA-N 2 0 361.490 0.967 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982281941 1248775953 /nfs/dbraw/zinc/77/59/53/1248775953.db2.gz DXVVCDUCWHZNTR-WVPQZDDBSA-N 2 0 362.518 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000992407516 1249364057 /nfs/dbraw/zinc/36/40/57/1249364057.db2.gz PBTRIIHMMCDAGE-HYVNUMGLSA-N 2 0 366.506 0.012 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993585429 1249741430 /nfs/dbraw/zinc/74/14/30/1249741430.db2.gz MFASEHIQCLJRIP-OAGGEKHMSA-N 2 0 359.474 0.725 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848614829 1245375161 /nfs/dbraw/zinc/37/51/61/1245375161.db2.gz YGWNHYIWPILXFR-ZWKOTPCHSA-N 2 0 358.486 0.937 20 0 FCADRP CC(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CC[NH+](C)CC1 ZINC000849057769 1245390521 /nfs/dbraw/zinc/39/05/21/1245390521.db2.gz ZFMVJALFNKBNQE-KRWDZBQOSA-N 2 0 374.537 0.395 20 0 FCADRP [NH2+]=C(NCC(=O)N1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849076587 1245392178 /nfs/dbraw/zinc/39/21/78/1245392178.db2.gz PDPVQDGWMSGYEZ-UHFFFAOYSA-N 2 0 359.474 0.624 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000891536906 1245453498 /nfs/dbraw/zinc/45/34/98/1245453498.db2.gz XAFVKDDNYORMJG-UHFFFAOYSA-N 2 0 365.522 0.857 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000891601468 1245457054 /nfs/dbraw/zinc/45/70/54/1245457054.db2.gz GABROYUMPHYTQA-SJORKVTESA-N 2 0 367.538 0.328 20 0 FCADRP C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897262945 1245468984 /nfs/dbraw/zinc/46/89/84/1245468984.db2.gz DGWGHRHSTJJHJZ-VQIMIIECSA-N 2 0 364.534 0.582 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517804 1245504220 /nfs/dbraw/zinc/50/42/20/1245504220.db2.gz XQDPOXSCSGOJOT-ATZDWAIDSA-N 2 0 370.497 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475664 1245557924 /nfs/dbraw/zinc/55/79/24/1245557924.db2.gz CNRYOLOHPBJKSA-ZWKOTPCHSA-N 2 0 373.501 0.887 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000938911346 1245947699 /nfs/dbraw/zinc/94/76/99/1245947699.db2.gz HYSKJHQWYFOMIS-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994215614 1250289163 /nfs/dbraw/zinc/28/91/63/1250289163.db2.gz CYEJKWCALOHCRV-NVXWUHKLSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000994239122 1250308280 /nfs/dbraw/zinc/30/82/80/1250308280.db2.gz IJGKJVPJSWUFEW-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000945386717 1247740309 /nfs/dbraw/zinc/74/03/09/1247740309.db2.gz FNOKWUTVZTYUKP-TWMKSMIVSA-N 2 0 368.522 0.399 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000974876220 1248160047 /nfs/dbraw/zinc/16/00/47/1248160047.db2.gz VWLYKZZPQMMPPD-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000976866516 1248435956 /nfs/dbraw/zinc/43/59/56/1248435956.db2.gz DDYAVEWZMUQDPV-WMOPWKTHSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335258 1250386012 /nfs/dbraw/zinc/38/60/12/1250386012.db2.gz JAWJLNNHYVRDLH-IXDOHACOSA-N 2 0 362.518 0.635 20 0 FCADRP C[NH+]1CC2(C1)CCN(C(=O)C1(C(=O)N3CCC4(C[NH+](C)C4)C3)CCC1)C2 ZINC001328288430 1265522867 /nfs/dbraw/zinc/52/28/67/1265522867.db2.gz HJTJNLQXIWUKTJ-UHFFFAOYSA-N 2 0 360.502 0.485 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823257 1250993039 /nfs/dbraw/zinc/99/30/39/1250993039.db2.gz DYKCELRGQCGDSB-BFHYXJOUSA-N 2 0 364.494 0.165 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC000995833290 1251000496 /nfs/dbraw/zinc/00/04/96/1251000496.db2.gz PWPNDGIVIXFMHH-INMHGKMJSA-N 2 0 366.506 0.045 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995843317 1251004374 /nfs/dbraw/zinc/00/43/74/1251004374.db2.gz WKPMTCLRAJIUHL-XHSDSOJGSA-N 2 0 365.522 0.569 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997888129 1251738236 /nfs/dbraw/zinc/73/82/36/1251738236.db2.gz STHORGYEAVGILO-XWSJACJDSA-N 2 0 374.529 0.918 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@H]1C ZINC000998467528 1251890261 /nfs/dbraw/zinc/89/02/61/1251890261.db2.gz XCBGDCGVZABLQQ-SIXLDLHFSA-N 2 0 359.474 0.924 20 0 FCADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)[NH+](C)C ZINC000998658239 1251943991 /nfs/dbraw/zinc/94/39/91/1251943991.db2.gz LAIYJHOFPVKSGC-LTIDMASMSA-N 2 0 362.518 0.917 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998658148 1251944210 /nfs/dbraw/zinc/94/42/10/1251944210.db2.gz JWZQOIQZPUJVLK-YVSFHVDLSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001001698211 1252310124 /nfs/dbraw/zinc/31/01/24/1252310124.db2.gz JUOPBVLLESJJMF-NCOADZHNSA-N 2 0 360.502 0.957 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC001002795243 1252678619 /nfs/dbraw/zinc/67/86/19/1252678619.db2.gz LTSQKUPYIRAESY-MLHJIOFPSA-N 2 0 362.518 0.918 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002829621 1252690836 /nfs/dbraw/zinc/69/08/36/1252690836.db2.gz ICWHBSFKDUWLQI-HHARLNAUSA-N 2 0 371.485 0.868 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)CC[N@@H+]1C ZINC001003748236 1253090213 /nfs/dbraw/zinc/09/02/13/1253090213.db2.gz AIDQEUNRTITLFL-FGTAOJJYSA-N 2 0 362.518 0.917 20 0 FCADRP C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)CCC1 ZINC001004391594 1253312024 /nfs/dbraw/zinc/31/20/24/1253312024.db2.gz RDOCIXQTMLOLBR-OAGGEKHMSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004390645 1253312462 /nfs/dbraw/zinc/31/24/62/1253312462.db2.gz JWZQOIQZPUJVLK-HZMVEIRTSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001031994286 1253913822 /nfs/dbraw/zinc/91/38/22/1253913822.db2.gz VAYRTYUDSLFDIN-MOPGFXCFSA-N 2 0 368.485 0.672 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001329568613 1265784430 /nfs/dbraw/zinc/78/44/30/1265784430.db2.gz JTEYUUQPUCYJKS-OALUTQOASA-N 2 0 370.501 0.163 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C[N@@H+]1C1CC1 ZINC001329645421 1265798265 /nfs/dbraw/zinc/79/82/65/1265798265.db2.gz SLEQEHVVZLCDDP-PMPSAXMXSA-N 2 0 373.501 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)NC4CC4)C3)CC2)CC[N@@H+]1C ZINC001035187372 1254018825 /nfs/dbraw/zinc/01/88/25/1254018825.db2.gz VTYLLIVBPVWWSG-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@@H]4CCCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035186338 1254020488 /nfs/dbraw/zinc/02/04/88/1254020488.db2.gz ARCKBXMCUHUFBW-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001329842810 1265869969 /nfs/dbraw/zinc/86/99/69/1265869969.db2.gz KYIWXJLIXIJQPO-HNNXBMFYSA-N 2 0 362.474 0.247 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065540143 1254546668 /nfs/dbraw/zinc/54/66/68/1254546668.db2.gz MJQZWIUKSYPSLZ-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440517 1254664370 /nfs/dbraw/zinc/66/43/70/1254664370.db2.gz OMNATYOCVYAFOL-QRVBRYPASA-N 2 0 365.518 0.839 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001077779196 1254980095 /nfs/dbraw/zinc/98/00/95/1254980095.db2.gz GNUOZIAODGNQOY-QZTJIDSGSA-N 2 0 363.506 0.393 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077778589 1254981371 /nfs/dbraw/zinc/98/13/71/1254981371.db2.gz RQHFQBXRAFDDBU-GUDVDZBRSA-N 2 0 367.534 0.821 20 0 FCADRP Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078403754 1255407551 /nfs/dbraw/zinc/40/75/51/1255407551.db2.gz HSIUQYOMWMFRSI-BRWVUGGUSA-N 2 0 361.490 0.832 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079198898 1255471048 /nfs/dbraw/zinc/47/10/48/1255471048.db2.gz XSQZGPWELCGDSM-XOKHGSTOSA-N 2 0 362.449 0.679 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079206008 1255471625 /nfs/dbraw/zinc/47/16/25/1255471625.db2.gz QILMKUPMJOHFNU-XOKHGSTOSA-N 2 0 362.449 0.537 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243186 1255485023 /nfs/dbraw/zinc/48/50/23/1255485023.db2.gz QHGNYPXLOKGYKX-ZJPYXAASSA-N 2 0 365.518 0.648 20 0 FCADRP C[N@H+](CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001079246167 1255486051 /nfs/dbraw/zinc/48/60/51/1255486051.db2.gz TUGMUUQXTUMQRR-ZWKOTPCHSA-N 2 0 365.518 0.793 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135186 1255756320 /nfs/dbraw/zinc/75/63/20/1255756320.db2.gz VJXBXHNBXLHFAV-CZUORRHYSA-N 2 0 356.430 0.410 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754134 1256019465 /nfs/dbraw/zinc/01/94/65/1256019465.db2.gz AMQLJTPTXGTUDY-OLMNPRSZSA-N 2 0 362.518 0.824 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081213644 1256208312 /nfs/dbraw/zinc/20/83/12/1256208312.db2.gz IPAKUDKXPIDBRZ-DLBZAZTESA-N 2 0 367.453 0.831 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001081226703 1256211593 /nfs/dbraw/zinc/21/15/93/1256211593.db2.gz GKIBWRUNTAULGE-CEXWTWQISA-N 2 0 370.497 0.755 20 0 FCADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159647 1256568809 /nfs/dbraw/zinc/56/88/09/1256568809.db2.gz HMWNFVZAEUSMLJ-FCGDIQPGSA-N 2 0 361.486 0.794 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001082179208 1256576257 /nfs/dbraw/zinc/57/62/57/1256576257.db2.gz WMSAMGKHJRLXPJ-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326481 1256665870 /nfs/dbraw/zinc/66/58/70/1256665870.db2.gz FNUHQHBERWFYAX-GUDVDZBRSA-N 2 0 361.486 0.836 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)C1=O ZINC001082588612 1256902183 /nfs/dbraw/zinc/90/21/83/1256902183.db2.gz FRIQCPRXWCADKZ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082592405 1256906103 /nfs/dbraw/zinc/90/61/03/1256906103.db2.gz CRFZSHPZMPWVOL-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082620725 1256931065 /nfs/dbraw/zinc/93/10/65/1256931065.db2.gz REALFBUETKAZDU-BYCMXARLSA-N 2 0 355.398 0.190 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082636936 1256944651 /nfs/dbraw/zinc/94/46/51/1256944651.db2.gz ASGSSFHOSRQLRQ-UKPHBRMFSA-N 2 0 368.441 0.548 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082653585 1256956913 /nfs/dbraw/zinc/95/69/13/1256956913.db2.gz SFZBHWPPTNVEHN-QCZOYZIOSA-N 2 0 359.474 0.183 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001082798230 1257057264 /nfs/dbraw/zinc/05/72/64/1257057264.db2.gz IOXAKECOVDJRKL-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001082798400 1257058239 /nfs/dbraw/zinc/05/82/39/1257058239.db2.gz RSWTZUNBLBMWGC-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082941639 1257159622 /nfs/dbraw/zinc/15/96/22/1257159622.db2.gz CZGXESXAAZYKQQ-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001084090765 1257915048 /nfs/dbraw/zinc/91/50/48/1257915048.db2.gz HGWMTZMHSDTWQO-MOPGFXCFSA-N 2 0 361.486 0.950 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001331134539 1266154622 /nfs/dbraw/zinc/15/46/22/1266154622.db2.gz PZNLBIMSGLOTSS-QZTJIDSGSA-N 2 0 358.486 0.808 20 0 FCADRP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001084347567 1258041750 /nfs/dbraw/zinc/04/17/50/1258041750.db2.gz VMWZGDNLDYSPGJ-GUDVDZBRSA-N 2 0 357.502 0.837 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084347586 1258041958 /nfs/dbraw/zinc/04/19/58/1258041958.db2.gz WXNJHSMNTHHKGV-FGTMMUONSA-N 2 0 360.502 0.483 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084357303 1258047619 /nfs/dbraw/zinc/04/76/19/1258047619.db2.gz TYNKFQWFEIWFQD-YYIAUSFCSA-N 2 0 363.506 0.275 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CCC1 ZINC001084404023 1258083444 /nfs/dbraw/zinc/08/34/44/1258083444.db2.gz OHGPGTNMKZSVJT-OWCLPIDISA-N 2 0 358.490 0.782 20 0 FCADRP Cc1c(C(=O)NOCC[NH+](C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001331184667 1266165438 /nfs/dbraw/zinc/16/54/38/1266165438.db2.gz NJHHQBUCFHLAGH-UHFFFAOYSA-N 2 0 358.446 0.787 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)CC2)C1 ZINC001521706587 1266167385 /nfs/dbraw/zinc/16/73/85/1266167385.db2.gz TYOLZZHWCZBSEU-GDBMZVCRSA-N 2 0 350.463 0.630 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001084629437 1258209703 /nfs/dbraw/zinc/20/97/03/1258209703.db2.gz XPADFZOQMYEWHA-QZTJIDSGSA-N 2 0 360.506 0.769 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001084773071 1258314100 /nfs/dbraw/zinc/31/41/00/1258314100.db2.gz BKDNDVZMMMAYOL-KBAYOESNSA-N 2 0 358.486 0.760 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1=O ZINC001084777544 1258319205 /nfs/dbraw/zinc/31/92/05/1258319205.db2.gz CDLIBDURTDDCHX-IAGOWNOFSA-N 2 0 356.470 0.514 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905953 1258428967 /nfs/dbraw/zinc/42/89/67/1258428967.db2.gz UYSNTZONHCEHDN-PMPSAXMXSA-N 2 0 362.474 0.152 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944055 1258455662 /nfs/dbraw/zinc/45/56/62/1258455662.db2.gz PMVVABYZTXHDBF-VQHPVUNQSA-N 2 0 363.506 0.275 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1)[NH+](C)C ZINC001084970358 1258482431 /nfs/dbraw/zinc/48/24/31/1258482431.db2.gz BMEDPYJNPLXDSO-ZACQAIPSSA-N 2 0 366.506 0.108 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1)[NH+](C)C ZINC001085035609 1258537730 /nfs/dbraw/zinc/53/77/30/1258537730.db2.gz HMSSZKBURUFOSB-PMPSAXMXSA-N 2 0 364.490 0.398 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085062617 1258557482 /nfs/dbraw/zinc/55/74/82/1258557482.db2.gz HWTQKOXWUFPUBT-MSOLQXFVSA-N 2 0 360.506 0.933 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085198695 1258627581 /nfs/dbraw/zinc/62/75/81/1258627581.db2.gz GIXQNSHUROIXEM-KZNAEPCWSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001085203790 1258629650 /nfs/dbraw/zinc/62/96/50/1258629650.db2.gz BUEBFQQUMAZIAM-QBPKDAKJSA-N 2 0 366.506 0.202 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088172978 1258692514 /nfs/dbraw/zinc/69/25/14/1258692514.db2.gz MTPRXALMFUUARN-RVKKMQEKSA-N 2 0 371.485 0.820 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088172979 1258693829 /nfs/dbraw/zinc/69/38/29/1258693829.db2.gz MTPRXALMFUUARN-VKJFTORMSA-N 2 0 371.485 0.820 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088201696 1258724913 /nfs/dbraw/zinc/72/49/13/1258724913.db2.gz PQUZPOAWPIUKSK-CVEARBPZSA-N 2 0 362.474 0.012 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212875 1258737530 /nfs/dbraw/zinc/73/75/30/1258737530.db2.gz YIVRPUCUMJHCBY-FGTMMUONSA-N 2 0 360.506 0.933 20 0 FCADRP [NH3+]C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427625 1266214017 /nfs/dbraw/zinc/21/40/17/1266214017.db2.gz VFRDFHOMJLUZTB-RBUKOAKNSA-N 2 0 360.502 0.642 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092772656 1258838323 /nfs/dbraw/zinc/83/83/23/1258838323.db2.gz AATKXQNKVLOSAG-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106588486 1258925768 /nfs/dbraw/zinc/92/57/68/1258925768.db2.gz XDJMXKSZUYXFFO-GDBMZVCRSA-N 2 0 360.462 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106594582 1258927558 /nfs/dbraw/zinc/92/75/58/1258927558.db2.gz WZFXOAAWBXPINT-ZIAGYGMSSA-N 2 0 363.462 0.639 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCc1ccco1 ZINC001106623389 1258929021 /nfs/dbraw/zinc/92/90/21/1258929021.db2.gz QWNONOZXJJRBDH-OWCLPIDISA-N 2 0 364.490 0.920 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666691 1258937027 /nfs/dbraw/zinc/93/70/27/1258937027.db2.gz QURXOIHULGNEBQ-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106680688 1258940559 /nfs/dbraw/zinc/94/05/59/1258940559.db2.gz COWQHFYJMRYLQU-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001106728556 1258948865 /nfs/dbraw/zinc/94/88/65/1258948865.db2.gz JKCUBTIBIAHWNX-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106839460 1258973651 /nfs/dbraw/zinc/97/36/51/1258973651.db2.gz JGVOQZZRQJKHTR-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC001106840196 1258974169 /nfs/dbraw/zinc/97/41/69/1258974169.db2.gz CUUSRZBNHKFDMN-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106874595 1258984857 /nfs/dbraw/zinc/98/48/57/1258984857.db2.gz LUGYHGOZCJTOCZ-OWCLPIDISA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106874666 1258985211 /nfs/dbraw/zinc/98/52/11/1258985211.db2.gz OTLNKHRGNKMPJG-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106874594 1258985280 /nfs/dbraw/zinc/98/52/80/1258985280.db2.gz LUGYHGOZCJTOCZ-BZUAXINKSA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106880271 1258986305 /nfs/dbraw/zinc/98/63/05/1258986305.db2.gz GUBIVNNJXNZSEP-HZPDHXFCSA-N 2 0 370.538 0.411 20 0 FCADRP CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106880419 1258986661 /nfs/dbraw/zinc/98/66/61/1258986661.db2.gz JCRHGKINJTWREJ-QLFBSQMISA-N 2 0 366.510 0.690 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001106878254 1258986706 /nfs/dbraw/zinc/98/67/06/1258986706.db2.gz JITOWBIMDLVRAX-NVXWUHKLSA-N 2 0 364.490 0.853 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001106881635 1258987207 /nfs/dbraw/zinc/98/72/07/1258987207.db2.gz HTIKGTQQYLVWPG-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001106882418 1258987463 /nfs/dbraw/zinc/98/74/63/1258987463.db2.gz VEVJYIAQZJSIQX-RHSMWYFYSA-N 2 0 360.506 0.675 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106885272 1258988591 /nfs/dbraw/zinc/98/85/91/1258988591.db2.gz ZSSFWIWPZCIBHI-KURKYZTESA-N 2 0 365.518 0.962 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106905278 1258992556 /nfs/dbraw/zinc/99/25/56/1258992556.db2.gz IJQPKOXHLCJZCZ-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC001106905665 1258992649 /nfs/dbraw/zinc/99/26/49/1258992649.db2.gz BUFARIIUABNSNV-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106981480 1259010255 /nfs/dbraw/zinc/01/02/55/1259010255.db2.gz QAECDWNNEVXKGR-RBSFLKMASA-N 2 0 360.462 0.051 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)no1 ZINC001106981310 1259010605 /nfs/dbraw/zinc/01/06/05/1259010605.db2.gz IQUHJGHCWAVABZ-VHDGCEQUSA-N 2 0 363.462 0.557 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984009 1259010778 /nfs/dbraw/zinc/01/07/78/1259010778.db2.gz SVMJTWYYPKEAMH-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986096 1259011462 /nfs/dbraw/zinc/01/14/62/1259011462.db2.gz FDPXHLMEHRICKU-IXDOHACOSA-N 2 0 368.522 0.163 20 0 FCADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107609511 1259132458 /nfs/dbraw/zinc/13/24/58/1259132458.db2.gz VQOLNIAYOPNEAW-VQIMIIECSA-N 2 0 366.506 0.158 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107609606 1259133811 /nfs/dbraw/zinc/13/38/11/1259133811.db2.gz YNVCMLWVSVISOE-MBOZVWFJSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1nc[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107620489 1259135173 /nfs/dbraw/zinc/13/51/73/1259135173.db2.gz QNDGMGSKUUVSDX-VQIMIIECSA-N 2 0 359.474 0.854 20 0 FCADRP C[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543828 1259166040 /nfs/dbraw/zinc/16/60/40/1259166040.db2.gz XVJBDIPNJLTRJW-IEZWGBDMSA-N 2 0 363.506 0.657 20 0 FCADRP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cn1 ZINC001127570959 1259180222 /nfs/dbraw/zinc/18/02/22/1259180222.db2.gz HNMILCWGGHEZRQ-MSOLQXFVSA-N 2 0 363.506 0.415 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCN2CCCC2=O)CC1 ZINC001127571128 1259181807 /nfs/dbraw/zinc/18/18/07/1259181807.db2.gz MABNONSAPDREOX-AEFFLSMTSA-N 2 0 366.506 0.062 20 0 FCADRP Cc1ccccc1CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643600 1259182482 /nfs/dbraw/zinc/18/24/82/1259182482.db2.gz CJZQFOIWXPABBO-SJLPKXTDSA-N 2 0 360.502 0.999 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCCF)n3CC2)CC[N@@H+]1C ZINC001127990627 1259188970 /nfs/dbraw/zinc/18/89/70/1259188970.db2.gz GNGLPDRGGHMKRJ-RBSFLKMASA-N 2 0 366.485 0.889 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129029668 1259292876 /nfs/dbraw/zinc/29/28/76/1259292876.db2.gz HWJJSVZHIZNDSF-OAGGEKHMSA-N 2 0 370.473 0.336 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001200547119 1259416028 /nfs/dbraw/zinc/41/60/28/1259416028.db2.gz MPNLBVDXKUJOSU-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212293070 1259455411 /nfs/dbraw/zinc/45/54/11/1259455411.db2.gz PUDBCPJPPDISSH-LBPRGKRZSA-N 2 0 374.445 0.536 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536227 1259534608 /nfs/dbraw/zinc/53/46/08/1259534608.db2.gz NHSYSPAZZJLXQB-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216225149 1259537359 /nfs/dbraw/zinc/53/73/59/1259537359.db2.gz AOVBSUTUIKLTCM-ZIAGYGMSSA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]([NH3+])CN1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001235490354 1259573659 /nfs/dbraw/zinc/57/36/59/1259573659.db2.gz MAKPXCAAJKZTDI-UZLBHIALSA-N 2 0 357.502 0.833 20 0 FCADRP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](CCCC[NH3+])C1 ZINC001235581418 1259577624 /nfs/dbraw/zinc/57/76/24/1259577624.db2.gz LBQNJSUDVRZRCN-LJQANCHMSA-N 2 0 361.490 0.834 20 0 FCADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH2+]CCNCC[NH2+]CC3)C2)cc1 ZINC001235868345 1259582073 /nfs/dbraw/zinc/58/20/73/1259582073.db2.gz CPMHMIWQUJFFLU-OAQYLSRUSA-N 3 0 359.562 0.983 20 0 FCADRP O=C(c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1)N1CCCC1 ZINC001235868148 1259582110 /nfs/dbraw/zinc/58/21/10/1259582110.db2.gz BAXHAYUSUXDKRW-UHFFFAOYSA-N 2 0 359.518 0.507 20 0 FCADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1CN1CCOCC1 ZINC001235871475 1259582288 /nfs/dbraw/zinc/58/22/88/1259582288.db2.gz ULMYRTDQCQXQEL-UHFFFAOYSA-N 2 0 361.534 0.103 20 0 FCADRP c1ccc(Oc2cnccn2)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235874257 1259583634 /nfs/dbraw/zinc/58/36/34/1259583634.db2.gz OBBPLNJRNUGVHS-UHFFFAOYSA-N 2 0 356.474 0.853 20 0 FCADRP COc1ccc(Cn2cc(CN3CC[NH2+]CCNCC[NH2+]CC3)cn2)cc1 ZINC001235874663 1259583821 /nfs/dbraw/zinc/58/38/21/1259583821.db2.gz MAWWKSUYDCBLBI-UHFFFAOYSA-N 2 0 372.517 0.524 20 0 FCADRP COC(=O)CCc1c(C)[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1C ZINC001235872155 1259584329 /nfs/dbraw/zinc/58/43/29/1259584329.db2.gz YSRMAUXQXYDHSS-UHFFFAOYSA-N 2 0 365.522 0.322 20 0 FCADRP CCOC(=O)COc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235874879 1259584469 /nfs/dbraw/zinc/58/44/69/1259584469.db2.gz WOUMFZONAKMDAJ-UHFFFAOYSA-N 2 0 364.490 0.213 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc4c(n3)OCCO4)C[C@H]1C2 ZINC001236029126 1259587398 /nfs/dbraw/zinc/58/73/98/1259587398.db2.gz YDVPOOKBYFDSLV-JUIVLLAYSA-N 2 0 359.426 0.683 20 0 FCADRP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)ccn1 ZINC001236028404 1259587417 /nfs/dbraw/zinc/58/74/17/1259587417.db2.gz QRSAHDSISIETDH-GJRWTSMGSA-N 2 0 359.426 0.699 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cc4c(cn3)OCCO4)C[C@H]1C2 ZINC001236031412 1259587861 /nfs/dbraw/zinc/58/78/61/1259587861.db2.gz UXNBDWSGEWQZNU-JUIVLLAYSA-N 2 0 359.426 0.683 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-c2cncnc2)c1 ZINC001236309504 1259588831 /nfs/dbraw/zinc/58/88/31/1259588831.db2.gz PHYGDNNFTDZMAM-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP CC(=O)n1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c2ccccc21 ZINC001236309391 1259589135 /nfs/dbraw/zinc/58/91/35/1259589135.db2.gz KHTYETVKOGWMDR-UHFFFAOYSA-N 2 0 359.474 0.917 20 0 FCADRP Cc1nccn1-c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236308226 1259589453 /nfs/dbraw/zinc/58/94/53/1259589453.db2.gz IADMQDBNHDOYKA-UHFFFAOYSA-N 2 0 358.490 0.797 20 0 FCADRP COC(=O)[C@@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1[NH3+] ZINC001236350249 1259589738 /nfs/dbraw/zinc/58/97/38/1259589738.db2.gz RGKLOHLSXRMNED-CABCVRRESA-N 2 0 358.446 0.128 20 0 FCADRP COC(=O)[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1[NH3+] ZINC001236350250 1259589921 /nfs/dbraw/zinc/58/99/21/1259589921.db2.gz RGKLOHLSXRMNED-GJZGRUSLSA-N 2 0 358.446 0.128 20 0 FCADRP O=C(c1ccc(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)cc1)N1CC[NH2+]CC1 ZINC001240127226 1259625699 /nfs/dbraw/zinc/62/56/99/1259625699.db2.gz LQTMSKMDXNEOSG-QGZVFWFLSA-N 2 0 353.426 0.930 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1=O ZINC001335369737 1259628635 /nfs/dbraw/zinc/62/86/35/1259628635.db2.gz HOCZGQLZNJWLST-NXOAAHMSSA-N 2 0 350.507 0.585 20 0 FCADRP c1ncc(-c2cnc(N3CC[NH2+]CC3)nc2)nc1OCC[NH+]1CCCC1 ZINC001241896379 1259631342 /nfs/dbraw/zinc/63/13/42/1259631342.db2.gz UUYXKFQKDWMJQW-UHFFFAOYSA-N 2 0 355.446 0.818 20 0 FCADRP O=S(=O)(c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001241899889 1259632105 /nfs/dbraw/zinc/63/21/05/1259632105.db2.gz GKIUSAAJNZRUPZ-QGZVFWFLSA-N 2 0 373.482 0.689 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245979571 1259642141 /nfs/dbraw/zinc/64/21/41/1259642141.db2.gz VUWOEIRAUURMPF-FDPIWHGQSA-N 3 0 369.456 0.944 20 0 FCADRP COc1ccc(C2(NC[C@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)cc1 ZINC001245996258 1259644184 /nfs/dbraw/zinc/64/41/84/1259644184.db2.gz LSPRSJXIBAPQHN-QGZVFWFLSA-N 2 0 363.502 0.729 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1nnc2n1CCC[NH2+]C2 ZINC001245988244 1259644369 /nfs/dbraw/zinc/64/43/69/1259644369.db2.gz UQIKVYQIAOYPEH-LSDHHAIUSA-N 2 0 366.416 0.070 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246069585 1259644812 /nfs/dbraw/zinc/64/48/12/1259644812.db2.gz KSJYHSPATGSPKA-GBESFXJTSA-N 3 0 368.472 0.693 20 0 FCADRP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335400330 1259645623 /nfs/dbraw/zinc/64/56/23/1259645623.db2.gz PWOMAKJGEIOJJM-WMZOPIPTSA-N 2 0 351.491 0.798 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001246054536 1259645619 /nfs/dbraw/zinc/64/56/19/1259645619.db2.gz HILJWVUQHXVPQG-RBUKOAKNSA-N 2 0 368.472 0.565 20 0 FCADRP O[C@H](C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246029986 1259646371 /nfs/dbraw/zinc/64/63/71/1259646371.db2.gz XBNPAAXCFWKSJH-SFHVURJKSA-N 3 0 359.514 0.989 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)CCOCc1ccccc1 ZINC001246049790 1259646695 /nfs/dbraw/zinc/64/66/95/1259646695.db2.gz BODOXNSBVNFKLQ-SFHVURJKSA-N 3 0 366.506 0.070 20 0 FCADRP c1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc(OCCN2CCOCC2)c1 ZINC001246077258 1259647478 /nfs/dbraw/zinc/64/74/78/1259647478.db2.gz RRUQUCFALBXQTA-GOSISDBHSA-N 2 0 360.502 0.581 20 0 FCADRP c1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc(OCCN2CCOCC2)c1 ZINC001246077259 1259648458 /nfs/dbraw/zinc/64/84/58/1259648458.db2.gz RRUQUCFALBXQTA-SFHVURJKSA-N 2 0 360.502 0.581 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CC[NH2+]1 ZINC001246157489 1259650055 /nfs/dbraw/zinc/65/00/55/1259650055.db2.gz OUTYXILFMWQTPT-NEWSRXKRSA-N 2 0 374.529 0.768 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246216077 1259651284 /nfs/dbraw/zinc/65/12/84/1259651284.db2.gz LNSQYIFGSGGABQ-RTBURBONSA-N 3 0 373.538 0.523 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CN[C@H](C(=O)OC)C3)cc2)CC1 ZINC001246237977 1259651408 /nfs/dbraw/zinc/65/14/08/1259651408.db2.gz USNMPMNSZPXZNI-MOPGFXCFSA-N 2 0 360.502 0.817 20 0 FCADRP NC1(C(=O)NCc2ccccc2)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246380447 1259651937 /nfs/dbraw/zinc/65/19/37/1259651937.db2.gz VRCYLYYLHZJUTQ-KRWDZBQOSA-N 2 0 357.502 0.190 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246480385 1259654035 /nfs/dbraw/zinc/65/40/35/1259654035.db2.gz FZDPVSPBQNAUMA-PMPSAXMXSA-N 2 0 367.538 0.101 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(C)(C[NH3+])C1 ZINC001246603490 1259656332 /nfs/dbraw/zinc/65/63/32/1259656332.db2.gz YVGXTMNSBVALJY-CYBMUJFWSA-N 2 0 362.478 0.273 20 0 FCADRP O=C1NCC[C@]12CN([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631937 1259658253 /nfs/dbraw/zinc/65/82/53/1259658253.db2.gz YBADMZLZZGRRCO-UEXGIBASSA-N 2 0 354.498 0.761 20 0 FCADRP O=C1N(Cc2cccnc2)CCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246690333 1259658875 /nfs/dbraw/zinc/65/88/75/1259658875.db2.gz CBJUIBLVEZDYMH-GOSISDBHSA-N 2 0 369.513 0.990 20 0 FCADRP Fc1cnc(N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)[C@@H]2CCC[NH2+]C2)nc1 ZINC001246687336 1259660082 /nfs/dbraw/zinc/66/00/82/1259660082.db2.gz LKQUIAQVPQFNEZ-KYJSFNMBSA-N 2 0 365.453 0.569 20 0 FCADRP c1ccc(OCc2nnc3n2CC[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)nc1 ZINC001246696068 1259661485 /nfs/dbraw/zinc/66/14/85/1259661485.db2.gz PGEHAJSTEXTKLJ-OAHLLOKOSA-N 2 0 369.473 0.204 20 0 FCADRP O=C([C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693992 1259662484 /nfs/dbraw/zinc/66/24/84/1259662484.db2.gz KITIALFLEGVKHU-IAGOWNOFSA-N 2 0 360.502 0.207 20 0 FCADRP c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246710731 1259665406 /nfs/dbraw/zinc/66/54/06/1259665406.db2.gz PYAANVAMQVMTNP-YDZRNGNQSA-N 2 0 358.486 0.924 20 0 FCADRP CC(C)C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452945 1259667940 /nfs/dbraw/zinc/66/79/40/1259667940.db2.gz RDNPMEAZZFBAQO-SQNIBIBYSA-N 2 0 354.539 0.608 20 0 FCADRP CC(C)C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335454185 1259668997 /nfs/dbraw/zinc/66/89/97/1259668997.db2.gz WCGDDJCVJKJDTN-ZACQAIPSSA-N 2 0 351.495 0.411 20 0 FCADRP CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246716569 1259669087 /nfs/dbraw/zinc/66/90/87/1259669087.db2.gz BOCCRSAJEQDMQL-MBOZVWFJSA-N 2 0 364.534 0.866 20 0 FCADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739963 1259675146 /nfs/dbraw/zinc/67/51/46/1259675146.db2.gz SLSBRNOGKKXINO-QGZVFWFLSA-N 3 0 374.533 0.385 20 0 FCADRP c1cnc(N2CCO[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nc1 ZINC001246746515 1259677520 /nfs/dbraw/zinc/67/75/20/1259677520.db2.gz HSGSBIISGOLTJL-IXDOHACOSA-N 2 0 358.490 0.098 20 0 FCADRP O=C1NC2(C[C@H]1c1ccncc1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744115 1259677627 /nfs/dbraw/zinc/67/76/27/1259677627.db2.gz JFANLNBYTCTBBP-IRXDYDNUSA-N 2 0 355.486 0.614 20 0 FCADRP COCCO[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]1Cc1cnn(C)c1 ZINC001246764114 1259683904 /nfs/dbraw/zinc/68/39/04/1259683904.db2.gz HQBHFMMVKWSOIJ-BZSNNMDCSA-N 2 0 363.506 0.163 20 0 FCADRP Cn1cc(N2CC[C@@]3(CCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768926 1259686890 /nfs/dbraw/zinc/68/68/90/1259686890.db2.gz CZPHAYVDRMAGDZ-CRAIPNDOSA-N 2 0 358.490 0.333 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CC[NH2+]CC2)C1 ZINC001335499941 1259688411 /nfs/dbraw/zinc/68/84/11/1259688411.db2.gz XVTFJSOBJOXSTE-NXHRZFHOSA-N 3 0 365.522 0.317 20 0 FCADRP O=C([C@H]1C[C@]2(CO1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774333 1259688857 /nfs/dbraw/zinc/68/88/57/1259688857.db2.gz MLFYWZIFRMMWKH-RUBXOHKTSA-N 2 0 363.502 0.999 20 0 FCADRP O=C1[C@@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001246846574 1259691228 /nfs/dbraw/zinc/69/12/28/1259691228.db2.gz BKTWTCBDZDHIOW-KURKYZTESA-N 2 0 368.481 0.730 20 0 FCADRP CN(C(=O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246884666 1259692508 /nfs/dbraw/zinc/69/25/08/1259692508.db2.gz UIWIYPVDRMPRPM-SFHVURJKSA-N 2 0 357.502 0.361 20 0 FCADRP CC[NH+](CC)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001335521881 1259697171 /nfs/dbraw/zinc/69/71/71/1259697171.db2.gz OBMYBYBUTOSBAR-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(/C=C/C(=O)NCC[NH3+])n3)c2)CC1 ZINC001247638813 1259704569 /nfs/dbraw/zinc/70/45/69/1259704569.db2.gz UVEQZLARUXUNJC-AATRIKPKSA-N 2 0 370.457 0.572 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(CN[C@@H]4CC[NH2+]C4)n3)c2)CC1 ZINC001247698174 1259704971 /nfs/dbraw/zinc/70/49/71/1259704971.db2.gz FLWNUOUYCAIIST-QGZVFWFLSA-N 2 0 356.474 0.936 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(CN[C@H]4CC[NH2+]C4)n3)c2)CC1 ZINC001247698163 1259706053 /nfs/dbraw/zinc/70/60/53/1259706053.db2.gz FLWNUOUYCAIIST-KRWDZBQOSA-N 2 0 356.474 0.936 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335566836 1259720642 /nfs/dbraw/zinc/72/06/42/1259720642.db2.gz ARWBMXPLAGIVCO-AFQPOQBFSA-N 3 0 361.534 0.985 20 0 FCADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251013619 1259728961 /nfs/dbraw/zinc/72/89/61/1259728961.db2.gz JKHGOSDCIOXUBB-HSALFYBXSA-N 2 0 367.534 0.360 20 0 FCADRP CCC[NH+](CCC)CCCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001251024185 1259732593 /nfs/dbraw/zinc/73/25/93/1259732593.db2.gz NBOOBTOOBVELTE-HXUWFJFHSA-N 2 0 370.582 0.809 20 0 FCADRP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416476 1259785361 /nfs/dbraw/zinc/78/53/61/1259785361.db2.gz YEZBTOHGMHZCJM-IRXDYDNUSA-N 2 0 363.458 0.671 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335711448 1259799207 /nfs/dbraw/zinc/79/92/07/1259799207.db2.gz ACXBTYBJVLMTHS-CQSZACIVSA-N 2 0 372.477 0.727 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790560 1259841379 /nfs/dbraw/zinc/84/13/79/1259841379.db2.gz KKBXPWBURGMCBK-QGZVFWFLSA-N 2 0 362.478 0.398 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001335841666 1259864962 /nfs/dbraw/zinc/86/49/62/1259864962.db2.gz FAFXDVHQFIIWGE-RDTXWAMCSA-N 2 0 372.469 0.798 20 0 FCADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517509 1259887135 /nfs/dbraw/zinc/88/71/35/1259887135.db2.gz HSYNOGKRUNXTHZ-RANZSIQMSA-N 2 0 359.474 0.923 20 0 FCADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520015 1259890092 /nfs/dbraw/zinc/89/00/92/1259890092.db2.gz BOUIJOHHCUCMGD-MKXGPGLRSA-N 2 0 365.518 0.914 20 0 FCADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001254767236 1259895068 /nfs/dbraw/zinc/89/50/68/1259895068.db2.gz RNSGDJGKZFDAFV-ZDUSSCGKSA-N 2 0 372.470 0.914 20 0 FCADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254799238 1259896598 /nfs/dbraw/zinc/89/65/98/1259896598.db2.gz JTCAERFQXRQYBV-MRXNPFEDSA-N 2 0 368.522 0.992 20 0 FCADRP C[N@@H+]1CC[C@H](N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426354 1259912455 /nfs/dbraw/zinc/91/24/55/1259912455.db2.gz COMBLCDGRLAJNL-HFTRVMKXSA-N 2 0 365.453 0.521 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@@H]2C(=O)N(C)C ZINC001255685343 1259924265 /nfs/dbraw/zinc/92/42/65/1259924265.db2.gz NOHNROJBUAOISN-UJJTZGENSA-N 2 0 362.518 0.870 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC001331853919 1266295757 /nfs/dbraw/zinc/29/57/57/1266295757.db2.gz XOSMDJBPICFPKN-HXUWFJFHSA-N 2 0 374.485 0.032 20 0 FCADRP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256693877 1259957303 /nfs/dbraw/zinc/95/73/03/1259957303.db2.gz RDDPOTGDSHSASH-TVPLGVNVSA-N 2 0 364.490 0.053 20 0 FCADRP CC1(C)OC[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)O1 ZINC001336076025 1259976627 /nfs/dbraw/zinc/97/66/27/1259976627.db2.gz OPVODMQDZRYLQE-XHSDSOJGSA-N 2 0 352.479 0.748 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001336135525 1260003007 /nfs/dbraw/zinc/00/30/07/1260003007.db2.gz ZWDYAZFFUIFXEI-DZGCQCFKSA-N 2 0 363.428 0.750 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C(C)C)CC2)C[C@H]1C(=O)OC ZINC001257721400 1260025740 /nfs/dbraw/zinc/02/57/40/1260025740.db2.gz UXPNTQOVTAYRLI-BRWVUGGUSA-N 2 0 369.506 0.733 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[C@H]1C(=O)OC ZINC001257731826 1260027934 /nfs/dbraw/zinc/02/79/34/1260027934.db2.gz CIAZYPGCIYTQKR-DJIMGWMZSA-N 2 0 368.474 0.818 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C ZINC001261134353 1260082293 /nfs/dbraw/zinc/08/22/93/1260082293.db2.gz TUDKCMYJZCYHNL-MXASKKJJSA-N 2 0 366.506 0.079 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001261321010 1260116767 /nfs/dbraw/zinc/11/67/67/1260116767.db2.gz QXAYFEIAAAZRHK-UHFFFAOYSA-N 3 0 369.554 0.271 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC001261375481 1260128472 /nfs/dbraw/zinc/12/84/72/1260128472.db2.gz QHTHTBMMTPEWFZ-MOPGFXCFSA-N 2 0 357.502 0.937 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500436 1260151823 /nfs/dbraw/zinc/15/18/23/1260151823.db2.gz RUBOIXGGBNIWGS-HNAYVOBHSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(CCCCC(=O)N[C@@H]1C[NH+]2CCC1CC2)N[C@H]1C[NH+]2CCC1CC2 ZINC001336614630 1260184926 /nfs/dbraw/zinc/18/49/26/1260184926.db2.gz IUIYJSWHKHTKSK-HDICACEKSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001336713350 1260207679 /nfs/dbraw/zinc/20/76/79/1260207679.db2.gz PBOOUEPDXMWVNZ-QGZVFWFLSA-N 2 0 368.522 0.897 20 0 FCADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC001336732953 1260210985 /nfs/dbraw/zinc/21/09/85/1260210985.db2.gz IVGQLDKAUXARCY-GOSISDBHSA-N 2 0 364.490 0.612 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1=O ZINC001336829526 1260232431 /nfs/dbraw/zinc/23/24/31/1260232431.db2.gz DBDFIFXODVUGCW-BBRMVZONSA-N 2 0 371.428 0.767 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001262170282 1260273987 /nfs/dbraw/zinc/27/39/87/1260273987.db2.gz IUBRVQKTZPBWOU-UHFFFAOYSA-N 2 0 359.518 0.548 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756090 1260356296 /nfs/dbraw/zinc/35/62/96/1260356296.db2.gz FDFRRJNQXBCTKO-JXFKEZNVSA-N 2 0 372.513 0.648 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1)C1CC1 ZINC001264650250 1260391717 /nfs/dbraw/zinc/39/17/17/1260391717.db2.gz JSUJUBWIEWMKRL-CVEARBPZSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001272868352 1260521177 /nfs/dbraw/zinc/52/11/77/1260521177.db2.gz PXFIGJJFDNOPCG-DOTOQJQBSA-N 2 0 359.474 0.067 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001338011679 1260535901 /nfs/dbraw/zinc/53/59/01/1260535901.db2.gz OLLDZJSVNJGOCH-ZHALLVOQSA-N 2 0 365.522 0.367 20 0 FCADRP CN(CC[NH+]1CCCCC1)c1nnc(C2CC[NH+](CCO)CC2)n1C ZINC001338273318 1260605780 /nfs/dbraw/zinc/60/57/80/1260605780.db2.gz XWESWCYFERUZRV-UHFFFAOYSA-N 2 0 350.511 0.909 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249681 1260635629 /nfs/dbraw/zinc/63/56/29/1260635629.db2.gz YVUMYGVVVBIGBD-QUCCMNQESA-N 2 0 366.550 0.973 20 0 FCADRP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@H]3CN(CCn4ccnc4)C[C@@H](C2)O3)C1 ZINC001273254864 1260637247 /nfs/dbraw/zinc/63/72/47/1260637247.db2.gz NBUMKWJGUZSHKP-KURKYZTESA-N 2 0 361.490 0.527 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001273273734 1260647376 /nfs/dbraw/zinc/64/73/76/1260647376.db2.gz ZDEVTWQBTQADFN-RZQQEMMASA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001278183274 1260686509 /nfs/dbraw/zinc/68/65/09/1260686509.db2.gz JFRWVTIRKTWKBH-IKGGRYGDSA-N 2 0 368.522 0.942 20 0 FCADRP COc1cc(CN2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc(O)c1OC ZINC001278749926 1260724808 /nfs/dbraw/zinc/72/48/08/1260724808.db2.gz RSBFKZBGDVZTEO-YJBOKZPZSA-N 2 0 365.474 0.856 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN1CCOCC1 ZINC001279246919 1260810164 /nfs/dbraw/zinc/81/01/64/1260810164.db2.gz POIQEAONTMADGJ-FHWLQOOXSA-N 2 0 362.518 0.478 20 0 FCADRP O=C1CCC[C@@]2(CN(CCn3ccnc3)CC[N@H+](C[C@@H]3CCCO3)C2)N1 ZINC001279467093 1260875103 /nfs/dbraw/zinc/87/51/03/1260875103.db2.gz HOVFDYSMXNUHGY-HKUYNNGSSA-N 2 0 361.490 0.719 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001332254369 1266367226 /nfs/dbraw/zinc/36/72/26/1266367226.db2.gz WATMORVLGXCDQI-GOSISDBHSA-N 2 0 358.486 0.809 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4OCCO)CC3)[C@H]2C1 ZINC001279701409 1260917477 /nfs/dbraw/zinc/91/74/77/1260917477.db2.gz WYRTVUGMDRPDTQ-IRXDYDNUSA-N 2 0 359.470 0.700 20 0 FCADRP COCC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279720812 1260921221 /nfs/dbraw/zinc/92/12/21/1260921221.db2.gz JWWLCGULOGSPLW-MRXNPFEDSA-N 2 0 365.478 0.368 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C23CC([NH2+]Cc4ccnnc4)(C2)C3)cn1 ZINC001279859448 1260945746 /nfs/dbraw/zinc/94/57/46/1260945746.db2.gz LXXTUMACGVHNHK-UHFFFAOYSA-N 2 0 355.446 0.886 20 0 FCADRP COC(=O)CCC[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279885494 1260951119 /nfs/dbraw/zinc/95/11/19/1260951119.db2.gz SLKCIZJWROWDJG-OAHLLOKOSA-N 2 0 363.462 0.658 20 0 FCADRP COC(=O)CCC[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279885493 1260951813 /nfs/dbraw/zinc/95/18/13/1260951813.db2.gz SLKCIZJWROWDJG-HNNXBMFYSA-N 2 0 363.462 0.658 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279919258 1260962276 /nfs/dbraw/zinc/96/22/76/1260962276.db2.gz OOROELUEWFKSHF-BPQIPLTHSA-N 2 0 361.490 0.847 20 0 FCADRP CN(C)C(=O)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280072200 1260991056 /nfs/dbraw/zinc/99/10/56/1260991056.db2.gz BQXBIAQNMYFAKU-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)CC1 ZINC001280125496 1261010517 /nfs/dbraw/zinc/01/05/17/1261010517.db2.gz KNVAOMLYMQMGIO-KRWDZBQOSA-N 2 0 361.490 0.706 20 0 FCADRP O=C(C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1)N1CC2(CC(O)C2)C1 ZINC001280135218 1261013126 /nfs/dbraw/zinc/01/31/26/1261013126.db2.gz KCZPNUNXOGKUCH-NJAFHUGGSA-N 2 0 363.502 0.449 20 0 FCADRP Cc1nc(CNC(=O)c2noc3c2C[N@H+](CC2CC[NH2+]CC2)CC3)no1 ZINC001280138367 1261014062 /nfs/dbraw/zinc/01/40/62/1261014062.db2.gz XAUUNQCGOFFNNT-UHFFFAOYSA-N 2 0 360.418 0.654 20 0 FCADRP CC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280169759 1261019529 /nfs/dbraw/zinc/01/95/29/1261019529.db2.gz KGGBYERHSYSDLN-OTWHNJEPSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C(C(=O)NCc4c[nH]cn4)=NO[C@@H]3C2)CC1 ZINC001280211261 1261034107 /nfs/dbraw/zinc/03/41/07/1261034107.db2.gz RRDASGSAUCJLHD-LSDHHAIUSA-N 2 0 360.462 0.444 20 0 FCADRP C[NH+]1CCC(C)(C[NH+]2CC3(C[C@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280211618 1261034428 /nfs/dbraw/zinc/03/44/28/1261034428.db2.gz YUKDDQHUFUMBBJ-HNNXBMFYSA-N 2 0 358.490 0.674 20 0 FCADRP C[NH+](C)CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cccnc3=O)CC[C@@H]2C1 ZINC001280219735 1261037814 /nfs/dbraw/zinc/03/78/14/1261037814.db2.gz WVPKMGCPSMAPBO-CALCHBBNSA-N 2 0 361.490 0.365 20 0 FCADRP C[C@@H]1c2ncc(CC(=O)NC3CC[NH+](C)CC3)n2CCN1CC[NH+](C)C ZINC001280220433 1261038536 /nfs/dbraw/zinc/03/85/36/1261038536.db2.gz BZPMFFUUMZPYTR-OAHLLOKOSA-N 2 0 362.522 0.574 20 0 FCADRP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280221227 1261038849 /nfs/dbraw/zinc/03/88/49/1261038849.db2.gz POXKXSMIKCGTRE-IRXDYDNUSA-N 2 0 360.506 0.374 20 0 FCADRP C[NH+](C)CCCN1CC[N@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280223147 1261039379 /nfs/dbraw/zinc/03/93/79/1261039379.db2.gz CZOGOTMTDSSKPK-LJQANCHMSA-N 2 0 362.522 0.491 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2nnnn2C)CC1 ZINC001280248548 1261041909 /nfs/dbraw/zinc/04/19/09/1261041909.db2.gz KIACCLAIJGDHNR-MUJYYYPQSA-N 2 0 361.494 0.839 20 0 FCADRP Cn1cncc1C[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280291303 1261049525 /nfs/dbraw/zinc/04/95/25/1261049525.db2.gz NITQMUIYVSLRTB-OLMNPRSZSA-N 2 0 361.490 0.610 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280813114 1261074962 /nfs/dbraw/zinc/07/49/62/1261074962.db2.gz AGAKOTBHSYEEAQ-HUUCEWRRSA-N 2 0 369.510 0.343 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001281684448 1261148410 /nfs/dbraw/zinc/14/84/10/1261148410.db2.gz PBOMWJNSOHEJEJ-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852369 1261235002 /nfs/dbraw/zinc/23/50/02/1261235002.db2.gz YAQIMDJIKWZLKP-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116665 1261637874 /nfs/dbraw/zinc/63/78/74/1261637874.db2.gz IBBIAXZMTAMSJN-JKSUJKDBSA-N 2 0 373.501 0.802 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001284753798 1261786338 /nfs/dbraw/zinc/78/63/38/1261786338.db2.gz ZJXVYAPSHFZSDS-NUEKZKHPSA-N 2 0 359.474 0.583 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580322782 1278122948 /nfs/dbraw/zinc/12/29/48/1278122948.db2.gz TYWKSRKXSNFVGI-KBRIMQKVSA-N 2 0 369.473 0.755 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001289839940 1262355717 /nfs/dbraw/zinc/35/57/17/1262355717.db2.gz VGOMJBHATBTPCY-IXDOHACOSA-N 2 0 366.506 0.108 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC1 ZINC001292439221 1262696965 /nfs/dbraw/zinc/69/69/65/1262696965.db2.gz CAESOOOAMCSEOG-UHFFFAOYSA-N 2 0 370.538 0.746 20 0 FCADRP [NH3+]Cc1nc2ccccc2n1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001580355671 1278158107 /nfs/dbraw/zinc/15/81/07/1278158107.db2.gz PGOBTMPXEFHSPU-UHFFFAOYSA-N 2 0 357.458 0.818 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(NC3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208989 1263136222 /nfs/dbraw/zinc/13/62/22/1263136222.db2.gz RVLGOHLULFGGAJ-ROUUACIJSA-N 2 0 361.490 0.433 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374286 1278185657 /nfs/dbraw/zinc/18/56/57/1278185657.db2.gz AOBZEFQGKJKOLL-UNEWFSDZSA-N 2 0 369.473 0.897 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001316703056 1263429722 /nfs/dbraw/zinc/42/97/22/1263429722.db2.gz CGOCLAPIPCLAGR-KGLIPLIRSA-N 2 0 367.494 0.001 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485251367 1263500675 /nfs/dbraw/zinc/50/06/75/1263500675.db2.gz DADFLAZXBSNRKF-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317089417 1263502257 /nfs/dbraw/zinc/50/22/57/1263502257.db2.gz XQKKMIRNKOGCEM-FKSLSLAPSA-N 2 0 361.486 0.576 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001319273195 1263671809 /nfs/dbraw/zinc/67/18/09/1263671809.db2.gz SVHYMAAMFFWUKZ-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001320958966 1263887101 /nfs/dbraw/zinc/88/71/01/1263887101.db2.gz KOYRZCHBLQQPHE-UHFFFAOYSA-N 2 0 364.494 0.889 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001321423397 1263958470 /nfs/dbraw/zinc/95/84/70/1263958470.db2.gz VLGYYKRHVRHESO-SJORKVTESA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(C)(C)C)CC2)C1 ZINC001321921919 1264099559 /nfs/dbraw/zinc/09/95/59/1264099559.db2.gz RBSWMUYRFMLKMJ-INIZCTEOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC001322003504 1264128565 /nfs/dbraw/zinc/12/85/65/1264128565.db2.gz WWEDZLWSYRXMBL-IRXDYDNUSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580390144 1278218732 /nfs/dbraw/zinc/21/87/32/1278218732.db2.gz UQAMFUQKTWPCTA-FVQBIDKESA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001502870973 1264183229 /nfs/dbraw/zinc/18/32/29/1264183229.db2.gz YCJUXQQMBMWRMY-ARFHVFGLSA-N 2 0 361.490 0.821 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580401042 1278226456 /nfs/dbraw/zinc/22/64/56/1278226456.db2.gz ZRAKYOIHFBWNEM-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001505812885 1264280613 /nfs/dbraw/zinc/28/06/13/1264280613.db2.gz FGMQKSJMEIAZMK-IXDOHACOSA-N 2 0 365.522 0.658 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994834 1264310952 /nfs/dbraw/zinc/31/09/52/1264310952.db2.gz VVEQKPSXTKKLKP-CQSZACIVSA-N 2 0 363.437 0.122 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001323389749 1264418038 /nfs/dbraw/zinc/41/80/38/1264418038.db2.gz XSRSQDQPEVWPFK-PVAVHDDUSA-N 2 0 366.506 0.345 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC001323427028 1264427286 /nfs/dbraw/zinc/42/72/86/1264427286.db2.gz HUZSAUPXYXUXMG-DLBZAZTESA-N 2 0 366.506 0.081 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001325281194 1264833210 /nfs/dbraw/zinc/83/32/10/1264833210.db2.gz CGPCVODQTZWIFH-OAHLLOKOSA-N 2 0 359.474 0.506 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](CC)CC ZINC001513039339 1264881103 /nfs/dbraw/zinc/88/11/03/1264881103.db2.gz PUEAPTVZBUTRQC-OWCLPIDISA-N 2 0 368.522 0.137 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001580403000 1278235130 /nfs/dbraw/zinc/23/51/30/1278235130.db2.gz HYBMEGANNIJIFJ-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC=CCC1 ZINC001326029109 1265048110 /nfs/dbraw/zinc/04/81/10/1265048110.db2.gz UNGJWWUTCJCDFT-UHFFFAOYSA-N 2 0 357.458 0.498 20 0 FCADRP [NH3+]CCN(CC(=O)N1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC001326368523 1265100639 /nfs/dbraw/zinc/10/06/39/1265100639.db2.gz DBOMYEYXAQSOOW-UHFFFAOYSA-N 2 0 360.502 0.771 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)cn1 ZINC001326547865 1265132013 /nfs/dbraw/zinc/13/20/13/1265132013.db2.gz HMVHOTLGYQMHSD-UHFFFAOYSA-N 2 0 362.478 0.375 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC001326551063 1265132480 /nfs/dbraw/zinc/13/24/80/1265132480.db2.gz RPGGPHDAUPNLES-ZWOKBUDYSA-N 2 0 358.486 0.993 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001326633560 1265147326 /nfs/dbraw/zinc/14/73/26/1265147326.db2.gz NAFHONCHPNGEMZ-SRABZTEZSA-N 2 0 362.478 0.704 20 0 FCADRP COC[C@]1(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]C1 ZINC001326792438 1265167459 /nfs/dbraw/zinc/16/74/59/1265167459.db2.gz HTOMOTHKXYIFTB-FQEVSTJZSA-N 2 0 360.502 0.676 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717688 1265267857 /nfs/dbraw/zinc/26/78/57/1265267857.db2.gz SMIFHAQYSASICZ-PMPSAXMXSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001327439111 1265322920 /nfs/dbraw/zinc/32/29/20/1265322920.db2.gz JYWLNXNIOACZDL-UHFFFAOYSA-N 2 0 359.474 0.633 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC001327457861 1265329200 /nfs/dbraw/zinc/32/92/00/1265329200.db2.gz FNFFJCFHEPTKRX-UHFFFAOYSA-N 2 0 359.474 0.373 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001514949495 1265384987 /nfs/dbraw/zinc/38/49/87/1265384987.db2.gz LXACUZUXABGWIX-DMRKSPOLSA-N 2 0 350.507 0.679 20 0 FCADRP OC[C@@H]1CC(c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC2CC2)=[NH+]O1 ZINC001527738414 1266921716 /nfs/dbraw/zinc/92/17/16/1266921716.db2.gz ZEGYGEYGRHNJPW-HNNXBMFYSA-N 2 0 360.462 0.848 20 0 FCADRP CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001334816005 1267187622 /nfs/dbraw/zinc/18/76/22/1267187622.db2.gz OXIJONOGBGQNMN-FVQHAEBGSA-N 2 0 360.458 0.680 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC001335190878 1267396630 /nfs/dbraw/zinc/39/66/30/1267396630.db2.gz WDLQEMHWUFZTEX-XYJFISCASA-N 2 0 369.506 0.123 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572264 1267500248 /nfs/dbraw/zinc/50/02/48/1267500248.db2.gz JSZCZHAUKCKISE-LSDHHAIUSA-N 2 0 354.495 0.107 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C[NH+](C)C)nc2)cn1 ZINC001543915941 1267564719 /nfs/dbraw/zinc/56/47/19/1267564719.db2.gz DDIMEYQKVDNLII-UHFFFAOYSA-N 2 0 373.461 0.270 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1c1ccc(F)cc1 ZINC001549044386 1267795192 /nfs/dbraw/zinc/79/51/92/1267795192.db2.gz XXCHJJOELQETIP-BZUAXINKSA-N 2 0 358.421 0.909 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]2[NH3+])cn1 ZINC001549074330 1267798710 /nfs/dbraw/zinc/79/87/10/1267798710.db2.gz QTMYBDOWCQJVDP-IAGOWNOFSA-N 2 0 361.490 0.708 20 0 FCADRP [NH3+][C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549073533 1267798969 /nfs/dbraw/zinc/79/89/69/1267798969.db2.gz MNEXIWZYXGSFND-QYZOEREBSA-N 2 0 369.469 0.391 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC001549073941 1267799185 /nfs/dbraw/zinc/79/91/85/1267799185.db2.gz CXJCTBQANBOGLT-UHFFFAOYSA-N 2 0 360.506 0.677 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117819 1267814957 /nfs/dbraw/zinc/81/49/57/1267814957.db2.gz VBSQWCIFLBQIIV-JTDSTZFVSA-N 2 0 358.490 0.575 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC001549776883 1267997621 /nfs/dbraw/zinc/99/76/21/1267997621.db2.gz PYBVXPMLJJOOAX-HOCLYGCPSA-N 2 0 356.467 0.481 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CCC[N@H+](CCO)C3)cn2)CC1 ZINC001550040871 1268060711 /nfs/dbraw/zinc/06/07/11/1268060711.db2.gz LUQCUUJDPZCGSS-AWEZNQCLSA-N 2 0 350.467 0.728 20 0 FCADRP Cc1c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001550076133 1268070402 /nfs/dbraw/zinc/07/04/02/1268070402.db2.gz IYACDWXEXCXOLF-OAHLLOKOSA-N 2 0 362.478 0.448 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@]2([NH3+])CCN(C(C)=O)C2)CC1 ZINC001550085285 1268072333 /nfs/dbraw/zinc/07/23/33/1268072333.db2.gz DZCYNGALWYVECU-SFHVURJKSA-N 2 0 352.479 0.040 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)C[C@@H]2[NH3+])cc1 ZINC001550102986 1268074429 /nfs/dbraw/zinc/07/44/29/1268074429.db2.gz RDLMJVJQVWKSLL-IRXDYDNUSA-N 2 0 370.457 0.778 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C[C@@H]2[NH3+])cc1 ZINC001550107291 1268075086 /nfs/dbraw/zinc/07/50/86/1268075086.db2.gz DFEBGKSWZWPEDV-KBMXLJTQSA-N 2 0 356.430 0.388 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550266057 1268100489 /nfs/dbraw/zinc/10/04/89/1268100489.db2.gz QVZLZJKRXOBLKC-MJGOQNOKSA-N 2 0 357.502 0.905 20 0 FCADRP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486177 1268127293 /nfs/dbraw/zinc/12/72/93/1268127293.db2.gz KENYMCKZBHEERW-VBXOEGAOSA-N 2 0 365.518 0.836 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540295 1268129876 /nfs/dbraw/zinc/12/98/76/1268129876.db2.gz BCMWVQKMUICMEV-BRWVUGGUSA-N 2 0 374.485 0.836 20 0 FCADRP Cn1nccc1[C@@H]1[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704548 1268153266 /nfs/dbraw/zinc/15/32/66/1268153266.db2.gz ZUMGYSXUZZXWDG-FCEWJHQRSA-N 2 0 373.501 0.973 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4NCC(=O)N[C@@H]4C3)C2)cc1 ZINC001550751966 1268161406 /nfs/dbraw/zinc/16/14/06/1268161406.db2.gz ROGWHFVLYSYMCJ-RCCFBDPRSA-N 2 0 371.485 0.441 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC001550756917 1268163098 /nfs/dbraw/zinc/16/30/98/1268163098.db2.gz NDSPXNWPGTVDCJ-RBSFLKMASA-N 2 0 351.426 0.712 20 0 FCADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2C)CC1 ZINC001339074792 1268163517 /nfs/dbraw/zinc/16/35/17/1268163517.db2.gz SUPZOZILHLBSLP-INIZCTEOSA-N 2 0 370.457 0.931 20 0 FCADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[N@H+](C)C1 ZINC001550762510 1268164048 /nfs/dbraw/zinc/16/40/48/1268164048.db2.gz POSYPHWMEAIJQA-ARFHVFGLSA-N 2 0 354.495 0.506 20 0 FCADRP C[NH+]1CCCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339153243 1268177371 /nfs/dbraw/zinc/17/73/71/1268177371.db2.gz PDCCVSRQSADDHS-HOTGVXAUSA-N 2 0 370.563 0.921 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC001550911270 1268183353 /nfs/dbraw/zinc/18/33/53/1268183353.db2.gz AANDQWXCPJZENC-SUMWQHHRSA-N 2 0 365.865 0.910 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001550911770 1268183901 /nfs/dbraw/zinc/18/39/01/1268183901.db2.gz GCKBDKXXHGXZHB-QMYADUOMSA-N 2 0 350.507 0.727 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001551156007 1268208907 /nfs/dbraw/zinc/20/89/07/1268208907.db2.gz ACOIKYDZHSZPND-DHADLLTHSA-N 2 0 351.491 0.999 20 0 FCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)CC1 ZINC001551223296 1268215944 /nfs/dbraw/zinc/21/59/44/1268215944.db2.gz GCYQBKRAMQWURY-OFQRWUPVSA-N 2 0 351.495 0.437 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001551279128 1268220872 /nfs/dbraw/zinc/22/08/72/1268220872.db2.gz XWIOBKUDGYUQIC-TVRKMHQQSA-N 2 0 368.522 0.776 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275659 1268221509 /nfs/dbraw/zinc/22/15/09/1268221509.db2.gz WEFOULPGDYUCAR-LPMVOBIJSA-N 2 0 354.495 0.384 20 0 FCADRP O=C(CC[N@@H+]1CCOC[C@H]1[C@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387261 1268230694 /nfs/dbraw/zinc/23/06/94/1268230694.db2.gz JAOROQLYJROFTR-ROUUACIJSA-N 2 0 374.485 0.858 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001339426089 1268235516 /nfs/dbraw/zinc/23/55/16/1268235516.db2.gz GJKIREQHHHDABV-UHFFFAOYSA-N 2 0 351.539 0.251 20 0 FCADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464314 1268256369 /nfs/dbraw/zinc/25/63/69/1268256369.db2.gz NVQMCESNRYRHSG-BZUAXINKSA-N 2 0 354.495 0.242 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551517750 1268262841 /nfs/dbraw/zinc/26/28/41/1268262841.db2.gz HKQBRFBGJIHPBB-MJGOQNOKSA-N 2 0 373.501 0.853 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC001551558792 1268270140 /nfs/dbraw/zinc/27/01/40/1268270140.db2.gz ZYNOFQDPIKEWQR-WMZOPIPTSA-N 2 0 374.489 0.594 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCCC1 ZINC001551559444 1268270913 /nfs/dbraw/zinc/27/09/13/1268270913.db2.gz GIMLXCLQEDZCIZ-DOTOQJQBSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551581510 1268277329 /nfs/dbraw/zinc/27/73/29/1268277329.db2.gz RWAGKSJSCJMQJB-YLQAJVPDSA-N 2 0 351.495 0.402 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551579640 1268277827 /nfs/dbraw/zinc/27/78/27/1268277827.db2.gz OSDCQQJTMTVBKA-UXLLHSPISA-N 2 0 365.522 0.805 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001551583705 1268278518 /nfs/dbraw/zinc/27/85/18/1268278518.db2.gz WJPDFYXNCXSVOQ-BFYDXBDKSA-N 2 0 351.495 0.417 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001551583712 1268278524 /nfs/dbraw/zinc/27/85/24/1268278524.db2.gz WJPDFYXNCXSVOQ-ZMSDIMECSA-N 2 0 351.495 0.417 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551588805 1268280815 /nfs/dbraw/zinc/28/08/15/1268280815.db2.gz GSOZZCNTCZMPCW-WMZOPIPTSA-N 2 0 365.522 0.616 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551597223 1268281987 /nfs/dbraw/zinc/28/19/87/1268281987.db2.gz UUVSFUPGXWSOPC-UIBIWLFHSA-N 2 0 365.522 0.805 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551595557 1268282156 /nfs/dbraw/zinc/28/21/56/1268282156.db2.gz RGPJSKSUOSDBOB-XYJFISCASA-N 2 0 365.522 0.615 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596458 1268282207 /nfs/dbraw/zinc/28/22/07/1268282207.db2.gz UASMDMQBCNVCFI-VKZRIFJHSA-N 2 0 365.522 0.615 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001551598447 1268282704 /nfs/dbraw/zinc/28/27/04/1268282704.db2.gz XXZPYSLGYFNOGI-FDQGKXFDSA-N 2 0 365.522 0.663 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC001552008989 1268350137 /nfs/dbraw/zinc/35/01/37/1268350137.db2.gz CSZPPVUKLQPCHM-KZNAEPCWSA-N 2 0 367.538 0.517 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001552095120 1268372525 /nfs/dbraw/zinc/37/25/25/1268372525.db2.gz VAIYSBCIFGBILS-YLFCFFPRSA-N 2 0 362.478 0.013 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC001552162746 1268396677 /nfs/dbraw/zinc/39/66/77/1268396677.db2.gz HRFBWCRUHVDLGB-BRWVUGGUSA-N 2 0 357.458 0.856 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)nn1 ZINC001552167556 1268399797 /nfs/dbraw/zinc/39/97/97/1268399797.db2.gz NWPDVSJGFUESPO-LJIGWXMPSA-N 2 0 362.478 0.065 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnn1C ZINC001552167857 1268400065 /nfs/dbraw/zinc/40/00/65/1268400065.db2.gz KJKBTPUWJBJZFF-NEWSRXKRSA-N 2 0 374.533 0.270 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)C[C@@H]1C ZINC001552168325 1268401074 /nfs/dbraw/zinc/40/10/74/1268401074.db2.gz UEDYAMQKRZKOFJ-JKQORVJESA-N 2 0 364.494 0.311 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202168 1268408106 /nfs/dbraw/zinc/40/81/06/1268408106.db2.gz BUAIZRWHICNVGJ-TZIWHRDSSA-N 2 0 372.513 0.676 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)nc2)CC1 ZINC001552202534 1268409151 /nfs/dbraw/zinc/40/91/51/1268409151.db2.gz ILKYSXZQXBJVLA-IFXJQAMLSA-N 2 0 359.474 0.787 20 0 FCADRP CCn1c(Cc2nccn2C)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001340047173 1268417887 /nfs/dbraw/zinc/41/78/87/1268417887.db2.gz DXLJDNGSHMJTTA-OAHLLOKOSA-N 2 0 359.478 0.781 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccn3)cn2)CC1 ZINC001340112722 1268440456 /nfs/dbraw/zinc/44/04/56/1268440456.db2.gz NVEDMFGTEAQOLP-QGZVFWFLSA-N 2 0 354.458 0.415 20 0 FCADRP Cc1c(C(=O)NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)nnn1[C@H]1CC[NH2+]C1 ZINC001552442751 1268465826 /nfs/dbraw/zinc/46/58/26/1268465826.db2.gz VHLKGICUSIEWGJ-GOEBONIOSA-N 2 0 371.445 0.187 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC)C1 ZINC001340212463 1268472614 /nfs/dbraw/zinc/47/26/14/1268472614.db2.gz HHUOEXIOIDHZML-KGLIPLIRSA-N 2 0 350.467 0.951 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606550 1268488890 /nfs/dbraw/zinc/48/88/90/1268488890.db2.gz CGBFXMVBSYPCBC-BZUAXINKSA-N 2 0 363.510 0.895 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1n1ccnn1 ZINC001552606581 1268489023 /nfs/dbraw/zinc/48/90/23/1268489023.db2.gz DEBFQBYSTRSKPE-IRXDYDNUSA-N 2 0 361.494 0.649 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1n1ccnn1 ZINC001552606576 1268489088 /nfs/dbraw/zinc/48/90/88/1268489088.db2.gz DEBFQBYSTRSKPE-DLBZAZTESA-N 2 0 361.494 0.649 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)cn1 ZINC001552650368 1268509330 /nfs/dbraw/zinc/50/93/30/1268509330.db2.gz BCXJJNQEMZKNBZ-HUUCEWRRSA-N 2 0 361.454 0.055 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001552696688 1268524448 /nfs/dbraw/zinc/52/44/48/1268524448.db2.gz XBFFSFZEFYZLAN-MRXNPFEDSA-N 2 0 360.506 0.729 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552798893 1268549848 /nfs/dbraw/zinc/54/98/48/1268549848.db2.gz GERRVTNDLMXSRX-KZNAEPCWSA-N 2 0 368.522 0.726 20 0 FCADRP Cc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552847250 1268559821 /nfs/dbraw/zinc/55/98/21/1268559821.db2.gz QAABVVNCTRDIMZ-UTUOFQBUSA-N 2 0 360.384 0.720 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC001552887826 1268563259 /nfs/dbraw/zinc/56/32/59/1268563259.db2.gz SCLRKGOOXJQUPW-CABCVRRESA-N 2 0 358.450 0.754 20 0 FCADRP CCCNC(=O)c1cccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553392075 1268641793 /nfs/dbraw/zinc/64/17/93/1268641793.db2.gz JTSIEXUWUJCEJV-XLIONFOSSA-N 2 0 358.486 0.984 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553389034 1268642863 /nfs/dbraw/zinc/64/28/63/1268642863.db2.gz ICMGRXKNPSDPQB-QRWLVFNGSA-N 2 0 370.453 0.815 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553389030 1268642872 /nfs/dbraw/zinc/64/28/72/1268642872.db2.gz ICMGRXKNPSDPQB-FOIQADDNSA-N 2 0 370.453 0.815 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)ccc2oc1=O ZINC001553413836 1268646601 /nfs/dbraw/zinc/64/66/01/1268646601.db2.gz QUNFWSHKGFLVGZ-WWGRRREGSA-N 2 0 360.414 0.614 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)N3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)CC1 ZINC001553440737 1268650466 /nfs/dbraw/zinc/65/04/66/1268650466.db2.gz BCVZNRRYECKSSC-LDLYASANSA-N 2 0 357.502 0.780 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553451457 1268652907 /nfs/dbraw/zinc/65/29/07/1268652907.db2.gz SSVVDLUKJQTIMZ-OAHLLOKOSA-N 2 0 351.495 0.452 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553451453 1268653036 /nfs/dbraw/zinc/65/30/36/1268653036.db2.gz SSVVDLUKJQTIMZ-HNNXBMFYSA-N 2 0 351.495 0.452 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553504071 1268659494 /nfs/dbraw/zinc/65/94/94/1268659494.db2.gz QTBPJBWNGOGYMN-MJBXVCDLSA-N 2 0 363.428 0.606 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1C[NH2+]CC13CCOCC3)C2 ZINC001553522857 1268663235 /nfs/dbraw/zinc/66/32/35/1268663235.db2.gz BORXPKLRWHFLDL-CYBMUJFWSA-N 2 0 351.476 0.438 20 0 FCADRP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001553545554 1268667399 /nfs/dbraw/zinc/66/73/99/1268667399.db2.gz DEMBZRHUDQEFMT-KYHPRHEASA-N 2 0 363.506 0.321 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553553615 1268669107 /nfs/dbraw/zinc/66/91/07/1268669107.db2.gz VXUPBFXCMWTLAP-VVLHAWIVSA-N 3 0 353.486 0.687 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340891941 1268694892 /nfs/dbraw/zinc/69/48/92/1268694892.db2.gz CRSFXYHJJFATEY-QGZVFWFLSA-N 2 0 364.490 0.374 20 0 FCADRP Cn1cc(C2=NO[C@H](C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)C2)cn1 ZINC001340896212 1268697417 /nfs/dbraw/zinc/69/74/17/1268697417.db2.gz MSSIHPILKCUPNC-HNNXBMFYSA-N 2 0 355.402 0.356 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)CCSCCC[NH3+])cn2)CC1 ZINC001340895063 1268697698 /nfs/dbraw/zinc/69/76/98/1268697698.db2.gz NLRCJZQUOXQERJ-UHFFFAOYSA-N 2 0 351.520 0.922 20 0 FCADRP CNC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC001340931989 1268715013 /nfs/dbraw/zinc/71/50/13/1268715013.db2.gz NWGIDKVQARLKRN-IYBDPMFKSA-N 2 0 357.458 0.482 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1n1ccnn1 ZINC001553829971 1268723902 /nfs/dbraw/zinc/72/39/02/1268723902.db2.gz MXCKVXDFWWVGAH-JKSUJKDBSA-N 2 0 352.402 0.486 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21 ZINC001341117985 1268791817 /nfs/dbraw/zinc/79/18/17/1268791817.db2.gz CASDTMKHHQKKKZ-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC001341117984 1268792061 /nfs/dbraw/zinc/79/20/61/1268792061.db2.gz CASDTMKHHQKKKZ-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP COCCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001341342234 1268945186 /nfs/dbraw/zinc/94/51/86/1268945186.db2.gz SEWUOBAZESFUIA-AWEZNQCLSA-N 2 0 366.466 0.188 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)c2)CC1 ZINC001341527216 1269057144 /nfs/dbraw/zinc/05/71/44/1269057144.db2.gz UQCUWQSAHNIKGT-LJQANCHMSA-N 2 0 357.458 0.043 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001341731978 1269175365 /nfs/dbraw/zinc/17/53/65/1269175365.db2.gz GWEGRAJIGNKQGA-JJXSEGSLSA-N 2 0 359.474 0.630 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341731988 1269175731 /nfs/dbraw/zinc/17/57/31/1269175731.db2.gz HSSBMFPUCCLNOO-NRFANRHFSA-N 2 0 374.529 0.945 20 0 FCADRP [NH3+]CC1(c2ccccc2)CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001342079599 1269334940 /nfs/dbraw/zinc/33/49/40/1269334940.db2.gz LEOVAKMGBSRBGE-KRWDZBQOSA-N 2 0 358.486 0.764 20 0 FCADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001342271918 1269413886 /nfs/dbraw/zinc/41/38/86/1269413886.db2.gz PUWGPLZBXCSQFE-SQWLQELKSA-N 2 0 357.376 0.890 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001566041020 1269571285 /nfs/dbraw/zinc/57/12/85/1269571285.db2.gz YOEGXBXHQMGAFR-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1OC ZINC001343102730 1269772171 /nfs/dbraw/zinc/77/21/71/1269772171.db2.gz PPRPZXIBXOSCNO-HUUCEWRRSA-N 2 0 365.478 0.037 20 0 FCADRP COC[C@H](O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001569469133 1269786572 /nfs/dbraw/zinc/78/65/72/1269786572.db2.gz IFAFYCGLMFOTFP-BRWVUGGUSA-N 2 0 353.507 0.648 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001343452954 1269913292 /nfs/dbraw/zinc/91/32/92/1269913292.db2.gz NIACUUAGEDTWNM-IBGZPJMESA-N 2 0 359.518 0.344 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001571331261 1269927739 /nfs/dbraw/zinc/92/77/39/1269927739.db2.gz OHFVIMPEVIORTL-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC001343605684 1269959443 /nfs/dbraw/zinc/95/94/43/1269959443.db2.gz PQCIPQCFKYSAME-SJORKVTESA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001572782300 1270136264 /nfs/dbraw/zinc/13/62/64/1270136264.db2.gz FYRPNPPYQIZZSE-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)CC2)c1 ZINC001344435489 1270180260 /nfs/dbraw/zinc/18/02/60/1270180260.db2.gz HGEAMPPVOLZIKB-HXUWFJFHSA-N 2 0 371.485 0.503 20 0 FCADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCc2[nH]cnc2C12CC[NH2+]CC2 ZINC001344575981 1270206416 /nfs/dbraw/zinc/20/64/16/1270206416.db2.gz OWRMYJIFCIZSGN-UHFFFAOYSA-N 2 0 358.446 0.272 20 0 FCADRP CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH2+]CC2)C1 ZINC001573759949 1270871948 /nfs/dbraw/zinc/87/19/48/1270871948.db2.gz LESHURIABHVMKS-OAHLLOKOSA-N 2 0 363.510 0.558 20 0 FCADRP CC(C)[C@@H](C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573975582 1270969410 /nfs/dbraw/zinc/96/94/10/1270969410.db2.gz UBYVBSYZKNEUDU-ZUEPYMLJSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977851 1270972451 /nfs/dbraw/zinc/97/24/51/1270972451.db2.gz QXEDBPKWJIWCOI-CJNGLKHVSA-N 2 0 372.477 0.790 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209260 1271094279 /nfs/dbraw/zinc/09/42/79/1271094279.db2.gz DGAPWVXPOQEHOM-BBRMVZONSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255962 1271127468 /nfs/dbraw/zinc/12/74/68/1271127468.db2.gz VZZDOYFMZFKITF-KGLIPLIRSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255963 1271127563 /nfs/dbraw/zinc/12/75/63/1271127563.db2.gz VZZDOYFMZFKITF-UONOGXRCSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574260828 1271135534 /nfs/dbraw/zinc/13/55/34/1271135534.db2.gz YSMIPKQCQGWDKU-UHFFFAOYSA-N 2 0 372.477 0.722 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574264819 1271141292 /nfs/dbraw/zinc/14/12/92/1271141292.db2.gz PGTBLVOSPQWXMK-VQFNDLOPSA-N 2 0 369.473 0.753 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574286723 1271160626 /nfs/dbraw/zinc/16/06/26/1271160626.db2.gz PUVAOVVSITWZKI-UHFFFAOYSA-N 2 0 372.477 0.935 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288019 1271162972 /nfs/dbraw/zinc/16/29/72/1271162972.db2.gz DDLAVEUZZXVULT-ZENOOKHLSA-N 2 0 370.461 0.616 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596083 1271395210 /nfs/dbraw/zinc/39/52/10/1271395210.db2.gz HVTDGTFZHVVAGB-CJNGLKHVSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574670912 1271472130 /nfs/dbraw/zinc/47/21/30/1271472130.db2.gz GMGMVDZNZTYNKB-IUODEOHRSA-N 2 0 370.461 0.332 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574804576 1271544359 /nfs/dbraw/zinc/54/43/59/1271544359.db2.gz MIBIXNCMMCIRII-IUODEOHRSA-N 2 0 360.466 0.789 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574804575 1271545553 /nfs/dbraw/zinc/54/55/53/1271545553.db2.gz MIBIXNCMMCIRII-DOMZBBRYSA-N 2 0 360.466 0.789 20 0 FCADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574830512 1271577997 /nfs/dbraw/zinc/57/79/97/1271577997.db2.gz RCFLDLUIKJCBFI-CYBMUJFWSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574837630 1271581933 /nfs/dbraw/zinc/58/19/33/1271581933.db2.gz CBFUTOYIMVTVCJ-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853707 1271604096 /nfs/dbraw/zinc/60/40/96/1271604096.db2.gz CNWWGRFULALPRY-ZDUSSCGKSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853560 1271604408 /nfs/dbraw/zinc/60/44/08/1271604408.db2.gz BTUZPGGEDAZQBE-GFCCVEGCSA-N 2 0 356.434 0.229 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574854715 1271608123 /nfs/dbraw/zinc/60/81/23/1271608123.db2.gz UTTPIVVOQLTFOG-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574879214 1271639423 /nfs/dbraw/zinc/63/94/23/1271639423.db2.gz YMUDHDOXNLTFHW-ZDUSSCGKSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896673 1271659440 /nfs/dbraw/zinc/65/94/40/1271659440.db2.gz GGRVIWKBMQIMQY-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908561 1271672269 /nfs/dbraw/zinc/67/22/69/1271672269.db2.gz JHASYENFHTZDTR-CHWSQXEVSA-N 2 0 358.450 0.475 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001575186098 1271773330 /nfs/dbraw/zinc/77/33/30/1271773330.db2.gz BVHFFRJUGRFYRJ-WMLDXEAASA-N 2 0 355.479 0.859 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391182 1272036755 /nfs/dbraw/zinc/03/67/55/1272036755.db2.gz HBYFAROSWBTWTB-UONOGXRCSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001575430306 1272099558 /nfs/dbraw/zinc/09/95/58/1272099558.db2.gz CWDZGHGAZVJXNP-XJKSGUPXSA-N 2 0 372.477 0.817 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437704 1272106343 /nfs/dbraw/zinc/10/63/43/1272106343.db2.gz CJWOKJUXNPGRED-ZIAGYGMSSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001575445981 1272116848 /nfs/dbraw/zinc/11/68/48/1272116848.db2.gz YHSNMGKOLAMYCO-MRXNPFEDSA-N 2 0 350.467 0.578 20 0 FCADRP C[C@@H]([NH2+]CCc1cn[nH]n1)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689953 1272301764 /nfs/dbraw/zinc/30/17/64/1272301764.db2.gz JLTHOIPGWWSGOV-RHSMWYFYSA-N 2 0 364.494 0.285 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2([NH3+])COC2)CC1 ZINC001575697264 1272317802 /nfs/dbraw/zinc/31/78/02/1272317802.db2.gz CUMRLSXMXJIMIN-CQSZACIVSA-N 2 0 350.467 0.040 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702729 1272326152 /nfs/dbraw/zinc/32/61/52/1272326152.db2.gz OYUOYPMVVMVSBF-NVXWUHKLSA-N 2 0 364.494 0.776 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H](C)[NH3+] ZINC001575716352 1272359942 /nfs/dbraw/zinc/35/99/42/1272359942.db2.gz PCQMXKNPQDZYSC-CABCVRRESA-N 2 0 363.510 0.828 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989785 1272651615 /nfs/dbraw/zinc/65/16/15/1272651615.db2.gz CJGWVDUHHYYXJX-ILXRZTDVSA-N 2 0 363.510 0.684 20 0 FCADRP C[C@@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001576009332 1272703881 /nfs/dbraw/zinc/70/38/81/1272703881.db2.gz ZQGVUJKSNLCJIR-BFYDXBDKSA-N 2 0 362.522 0.982 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001576046964 1272772303 /nfs/dbraw/zinc/77/23/03/1272772303.db2.gz OYPPIVKEGASPSL-UONOGXRCSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576255619 1273039746 /nfs/dbraw/zinc/03/97/46/1273039746.db2.gz LSQJCSYNOXHKRY-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP CC[C@@H](C(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483301 1273325155 /nfs/dbraw/zinc/32/51/55/1273325155.db2.gz SVIKPPRYHWBIMP-HNNXBMFYSA-N 2 0 360.466 0.593 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486380 1273336555 /nfs/dbraw/zinc/33/65/55/1273336555.db2.gz UZJFZDWVFMVVCH-CVEARBPZSA-N 2 0 350.467 0.386 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576488540 1273338451 /nfs/dbraw/zinc/33/84/51/1273338451.db2.gz ANZOUXXGBFHZFI-BBRMVZONSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576491526 1273346607 /nfs/dbraw/zinc/34/66/07/1273346607.db2.gz DHVKXQZYHJNCJY-CJNGLKHVSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@@H](C(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576492765 1273352255 /nfs/dbraw/zinc/35/22/55/1273352255.db2.gz SXNJOTWRNHZPHZ-AWEZNQCLSA-N 2 0 358.450 0.559 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576499947 1273364490 /nfs/dbraw/zinc/36/44/90/1273364490.db2.gz VDPAXSPZWFDCHL-JSGCOSHPSA-N 2 0 358.450 0.605 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501128 1273366454 /nfs/dbraw/zinc/36/64/54/1273366454.db2.gz VFZBQOSXBGFDFL-DZGCQCFKSA-N 2 0 372.477 0.853 20 0 FCADRP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576505230 1273371592 /nfs/dbraw/zinc/37/15/92/1273371592.db2.gz FZOPKKXCIGIGTF-OAHLLOKOSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576507091 1273378210 /nfs/dbraw/zinc/37/82/10/1273378210.db2.gz VFPLGFHCXIQUOY-ZOWXZIJZSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576506697 1273378767 /nfs/dbraw/zinc/37/87/67/1273378767.db2.gz SNJJFQVZYKFXGK-DVOMOZLQSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576507403 1273380665 /nfs/dbraw/zinc/38/06/65/1273380665.db2.gz ZNWBEGZESISLPU-AWEZNQCLSA-N 2 0 360.466 0.853 20 0 FCADRP CC[C@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576515903 1273396542 /nfs/dbraw/zinc/39/65/42/1273396542.db2.gz HUJKWSVUFIICDU-QAPCUYQASA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576515902 1273397634 /nfs/dbraw/zinc/39/76/34/1273397634.db2.gz HUJKWSVUFIICDU-MAUKXSAKSA-N 2 0 372.477 0.721 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576516969 1273400273 /nfs/dbraw/zinc/40/02/73/1273400273.db2.gz JULYTMJSOJTBKD-UHFFFAOYSA-N 2 0 364.494 0.776 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001576605957 1273476619 /nfs/dbraw/zinc/47/66/19/1273476619.db2.gz NUWLSWJKRRRHMX-YZDRTPDPSA-N 2 0 351.495 0.591 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@H](C[NH2+]Cc2cnn[nH]2)C(C)(C)C)n1 ZINC001576750124 1273620762 /nfs/dbraw/zinc/62/07/62/1273620762.db2.gz MIRTWANVXUXHJT-OAHLLOKOSA-N 2 0 362.482 0.497 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795228 1273696296 /nfs/dbraw/zinc/69/62/96/1273696296.db2.gz HQZJZOSSZYENJY-VXGBXAGGSA-N 2 0 363.491 0.864 20 0 FCADRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805581 1273712925 /nfs/dbraw/zinc/71/29/25/1273712925.db2.gz IQSFXAQSDZWPFH-KBPBESRZSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825770 1273749906 /nfs/dbraw/zinc/74/99/06/1273749906.db2.gz WBJHLUMKOACUHU-CYBMUJFWSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847534 1273792185 /nfs/dbraw/zinc/79/21/85/1273792185.db2.gz GGXIJEDMSFCDIL-DVOMOZLQSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001576898191 1273900132 /nfs/dbraw/zinc/90/01/32/1273900132.db2.gz NPEJSVAKOSULBJ-HOCLYGCPSA-N 2 0 353.511 0.521 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902878 1273908778 /nfs/dbraw/zinc/90/87/78/1273908778.db2.gz GHEAOACJRZJPSZ-HZPDHXFCSA-N 2 0 362.478 0.181 20 0 FCADRP CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001577530288 1274473810 /nfs/dbraw/zinc/47/38/10/1274473810.db2.gz ISKLGIXGAXAFRQ-JKSUJKDBSA-N 2 0 366.510 0.710 20 0 FCADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001577530639 1274474403 /nfs/dbraw/zinc/47/44/03/1274474403.db2.gz MJMSYCVQWWDWOJ-HOCLYGCPSA-N 2 0 358.494 0.948 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558191 1274500838 /nfs/dbraw/zinc/50/08/38/1274500838.db2.gz CTMUVSZPVDQFLV-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577558208 1274501443 /nfs/dbraw/zinc/50/14/43/1274501443.db2.gz DAVOTQZGXOUKPV-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558943 1274503745 /nfs/dbraw/zinc/50/37/45/1274503745.db2.gz OLMIAONZZGJMHD-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577564893 1274519629 /nfs/dbraw/zinc/51/96/29/1274519629.db2.gz CGYFXOOOHQIWAB-IYBDPMFKSA-N 2 0 357.462 0.945 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577564961 1274519890 /nfs/dbraw/zinc/51/98/90/1274519890.db2.gz FJFVRJCBYNKCBP-IYBDPMFKSA-N 2 0 357.462 0.945 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567206 1274523215 /nfs/dbraw/zinc/52/32/15/1274523215.db2.gz ALEYUWKCIQPJKF-UHFFFAOYSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568155 1274526021 /nfs/dbraw/zinc/52/60/21/1274526021.db2.gz MILBSXFWVFQTHN-CYBMUJFWSA-N 2 0 360.466 0.674 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577568081 1274526096 /nfs/dbraw/zinc/52/60/96/1274526096.db2.gz MEQYFKYAMNZILW-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570647 1274531927 /nfs/dbraw/zinc/53/19/27/1274531927.db2.gz BXBALXKOMTZDJD-OLZOCXBDSA-N 2 0 360.466 0.721 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577571348 1274533516 /nfs/dbraw/zinc/53/35/16/1274533516.db2.gz YKFFWFQFGLMFKU-CYBMUJFWSA-N 2 0 360.466 0.935 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573983 1274538180 /nfs/dbraw/zinc/53/81/80/1274538180.db2.gz JKODRGMXAFNGOU-OKILXGFUSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667155 1274684265 /nfs/dbraw/zinc/68/42/65/1274684265.db2.gz BGAKDSLUPGZGDD-XJKSGUPXSA-N 2 0 372.477 0.722 20 0 FCADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC001577674882 1274710875 /nfs/dbraw/zinc/71/08/75/1274710875.db2.gz MWPUAULPVLGOJP-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)C1 ZINC001577684750 1274739913 /nfs/dbraw/zinc/73/99/13/1274739913.db2.gz JEVXDBYGMPQCHA-XUWVNRHRSA-N 2 0 357.520 0.199 20 0 FCADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001577687737 1274741096 /nfs/dbraw/zinc/74/10/96/1274741096.db2.gz RAIPXHQAVMPRAD-GJZGRUSLSA-N 2 0 363.510 0.889 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001577763576 1274846823 /nfs/dbraw/zinc/84/68/23/1274846823.db2.gz FMAFDKLACIJTNN-GJZGRUSLSA-N 2 0 356.478 0.862 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001577767201 1274851039 /nfs/dbraw/zinc/85/10/39/1274851039.db2.gz HTHIPJUNHRTHSS-APWZRJJASA-N 2 0 352.523 0.901 20 0 FCADRP CC[NH+]1CCN(C2CN(C(=O)C3([C@@]4(O)CCC[NH2+]C4)CCC3)C2)CC1 ZINC001577775763 1274866252 /nfs/dbraw/zinc/86/62/52/1274866252.db2.gz POCJRQZMMMMHGS-LJQANCHMSA-N 2 0 350.507 0.120 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577805896 1274909995 /nfs/dbraw/zinc/90/99/95/1274909995.db2.gz YLGIELHGFLEUIX-KRWDZBQOSA-N 2 0 364.494 0.430 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882923 1275084239 /nfs/dbraw/zinc/08/42/39/1275084239.db2.gz PKHFJNAZKLYPIP-BLLLJJGKSA-N 2 0 372.477 0.593 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577882944 1275084490 /nfs/dbraw/zinc/08/44/90/1275084490.db2.gz PQPOVNNLELJAEP-STQMWFEESA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888044 1275094471 /nfs/dbraw/zinc/09/44/71/1275094471.db2.gz AVJUAIBODGXTAJ-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C[NH2+]CCc2cn[nH]n2)[C@@H](C(F)(F)F)C1 ZINC001577922629 1275129256 /nfs/dbraw/zinc/12/92/56/1275129256.db2.gz FMXCHCBALSIECI-OCCSQVGLSA-N 2 0 374.411 0.670 20 0 FCADRP O=C(N[C@H](C[NH2+]CCc1cn[nH]n1)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001577974530 1275198399 /nfs/dbraw/zinc/19/83/99/1275198399.db2.gz IJFGXZAEAICAHN-ZWKOTPCHSA-N 2 0 360.506 0.954 20 0 FCADRP CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578004928 1275265063 /nfs/dbraw/zinc/26/50/63/1275265063.db2.gz WSPIFBAWVWOYFA-ZDUSSCGKSA-N 2 0 372.477 0.854 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001578109821 1275411943 /nfs/dbraw/zinc/41/19/43/1275411943.db2.gz JIPBYQCRLRLBRD-ZDUSSCGKSA-N 2 0 372.477 0.594 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+](C)C1CCC1 ZINC001578135552 1275433292 /nfs/dbraw/zinc/43/32/92/1275433292.db2.gz CSADNTFBLKHVKM-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+]1CCC(C)CC1 ZINC001578135704 1275434514 /nfs/dbraw/zinc/43/45/14/1275434514.db2.gz GGOVAYORHPECMI-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001578135878 1275434527 /nfs/dbraw/zinc/43/45/27/1275434527.db2.gz JGTPBYDLGWBEJQ-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001578135696 1275434855 /nfs/dbraw/zinc/43/48/55/1275434855.db2.gz FVMDAIYCMWEZTF-UHFFFAOYSA-N 2 0 374.493 0.922 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219908 1275516400 /nfs/dbraw/zinc/51/64/00/1275516400.db2.gz SMJNNFXZTAOFBU-BBRMVZONSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220869 1275518335 /nfs/dbraw/zinc/51/83/35/1275518335.db2.gz BHOBMWRHENMQOZ-DOMZBBRYSA-N 2 0 358.450 0.475 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578220992 1275518976 /nfs/dbraw/zinc/51/89/76/1275518976.db2.gz GZQJMBYODJXWSQ-XJKSGUPXSA-N 2 0 372.477 0.783 20 0 FCADRP CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001578326641 1275672627 /nfs/dbraw/zinc/67/26/27/1275672627.db2.gz MQAFTOQOXYHQKO-HNNXBMFYSA-N 2 0 365.526 0.030 20 0 FCADRP CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578404651 1275776678 /nfs/dbraw/zinc/77/66/78/1275776678.db2.gz QTYWITVSDNTZMX-OIISXLGYSA-N 2 0 358.442 0.755 20 0 FCADRP C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1)c1ccco1 ZINC001578409041 1275781994 /nfs/dbraw/zinc/78/19/94/1275781994.db2.gz SRBFMIVNIDUBNB-UONOGXRCSA-N 2 0 373.461 0.535 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578411393 1275782344 /nfs/dbraw/zinc/78/23/44/1275782344.db2.gz SRBMSFZHGYDKIT-IBGZPJMESA-N 2 0 352.523 0.413 20 0 FCADRP C[NH+](C)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H]([NH3+])C2)CCOCC1 ZINC001578411879 1275783084 /nfs/dbraw/zinc/78/30/84/1275783084.db2.gz ZAPGTPVUIKBHEP-GJZGRUSLSA-N 2 0 364.494 0.430 20 0 FCADRP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001578417876 1275786294 /nfs/dbraw/zinc/78/62/94/1275786294.db2.gz BZMKOIZQTCVYDJ-HNNXBMFYSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001578420183 1275789090 /nfs/dbraw/zinc/78/90/90/1275789090.db2.gz WAPOULSDKSZSOO-HNNXBMFYSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446584 1275832925 /nfs/dbraw/zinc/83/29/25/1275832925.db2.gz AYMCLRZCVLZNGC-DVOMOZLQSA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446838 1275841190 /nfs/dbraw/zinc/84/11/90/1275841190.db2.gz HWMQXEOPGWTEMX-SLEUVZQESA-N 2 0 358.450 0.331 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C2CCCCC2)(N2CCOCC2)CC1 ZINC001578524071 1275957687 /nfs/dbraw/zinc/95/76/87/1275957687.db2.gz SLRAERMCXSLVCD-KRWDZBQOSA-N 2 0 352.523 0.807 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CCCC[C@@]3(C[NH3+])C2)CC1 ZINC001578533298 1275963098 /nfs/dbraw/zinc/96/30/98/1275963098.db2.gz DUYDOMCVWCPUID-IAGOWNOFSA-N 2 0 358.552 0.405 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578533487 1275965339 /nfs/dbraw/zinc/96/53/39/1275965339.db2.gz KMOGXBBRCLQJKW-LJQANCHMSA-N 2 0 352.523 0.413 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)CCN3CC[NH2+]CC3)CC2)CC1 ZINC001578533608 1275965544 /nfs/dbraw/zinc/96/55/44/1275965544.db2.gz OTPUKDBDUGAJDI-UHFFFAOYSA-N 2 0 351.539 0.158 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CC3(O)C[NH2+]C3)c3cnccc32)CC1 ZINC001578536823 1275967235 /nfs/dbraw/zinc/96/72/35/1275967235.db2.gz ICZHXFXLSDNYPY-UHFFFAOYSA-N 2 0 355.442 0.650 20 0 FCADRP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001578578152 1276011361 /nfs/dbraw/zinc/01/13/61/1276011361.db2.gz DGXJJFBRTUKICC-QPSCCSFWSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578578703 1276012359 /nfs/dbraw/zinc/01/23/59/1276012359.db2.gz IEMOUBVFUYTSKA-HIFRSBDPSA-N 2 0 361.494 0.369 20 0 FCADRP C[NH2+][C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578578702 1276012735 /nfs/dbraw/zinc/01/27/35/1276012735.db2.gz IEMOUBVFUYTSKA-DZGCQCFKSA-N 2 0 361.494 0.369 20 0 FCADRP C[NH2+][C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)C1 ZINC001578604382 1276037102 /nfs/dbraw/zinc/03/71/02/1276037102.db2.gz JCCBMNXCQNFEEZ-HZPDHXFCSA-N 2 0 366.510 0.896 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001578680328 1276132629 /nfs/dbraw/zinc/13/26/29/1276132629.db2.gz IAEBJBKOYFJPFF-GASCZTMLSA-N 2 0 351.495 0.180 20 0 FCADRP C[NH2+]CCN(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001578704214 1276169790 /nfs/dbraw/zinc/16/97/90/1276169790.db2.gz RMMDAKJSDTYXBE-UHFFFAOYSA-N 2 0 357.499 0.836 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCCC[N@H+](C)CC(C)C)C2 ZINC001578841311 1276360350 /nfs/dbraw/zinc/36/03/50/1276360350.db2.gz BYRBJFGXHFSMGM-RVKKMQEKSA-N 2 0 354.495 0.886 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578969129 1276512636 /nfs/dbraw/zinc/51/26/36/1276512636.db2.gz RWUCYQUTPRLKHM-ZDUSSCGKSA-N 2 0 370.461 0.286 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578970990 1276514720 /nfs/dbraw/zinc/51/47/20/1276514720.db2.gz PZNMLZTZEBOOKY-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578971268 1276516596 /nfs/dbraw/zinc/51/65/96/1276516596.db2.gz ZYKIVODXVMLGPJ-ZDUSSCGKSA-N 2 0 370.461 0.428 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578973378 1276518986 /nfs/dbraw/zinc/51/89/86/1276518986.db2.gz ZDPRQHYOOQGAIH-UHFFFAOYSA-N 2 0 370.461 0.332 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578973538 1276521046 /nfs/dbraw/zinc/52/10/46/1276521046.db2.gz RWZNOOJXIKACPL-SHTZXODSSA-N 2 0 369.473 0.945 20 0 FCADRP COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC001578981115 1276541991 /nfs/dbraw/zinc/54/19/91/1276541991.db2.gz RIHRIBSAWBMUMA-SLYIFPAJSA-N 2 0 353.507 0.946 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578987904 1276559581 /nfs/dbraw/zinc/55/95/81/1276559581.db2.gz HBDROQGXEMQJJP-JOCQHMNTSA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578990482 1276563928 /nfs/dbraw/zinc/56/39/28/1276563928.db2.gz CDUHAFMBHDZUGE-GASCZTMLSA-N 2 0 357.462 0.945 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579006033 1276577717 /nfs/dbraw/zinc/57/77/17/1276577717.db2.gz LGZRHDDILKDWRD-ZDUSSCGKSA-N 2 0 372.477 0.674 20 0 FCADRP COCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579014522 1276588031 /nfs/dbraw/zinc/58/80/31/1276588031.db2.gz PFMWJQBGBXMZFV-LPHOPBHVSA-N 2 0 371.489 0.846 20 0 FCADRP COCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579022449 1276601500 /nfs/dbraw/zinc/60/15/00/1276601500.db2.gz VSDRCUNLMJXFCK-INIZCTEOSA-N 2 0 373.505 0.640 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC001579032966 1276618429 /nfs/dbraw/zinc/61/84/29/1276618429.db2.gz NZSBJMHFQPBEPL-AEFFLSMTSA-N 2 0 357.495 0.339 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC[NH3+] ZINC001579081518 1276707169 /nfs/dbraw/zinc/70/71/69/1276707169.db2.gz STVBPPHNWLUFMC-HOCLYGCPSA-N 2 0 364.494 0.635 20 0 FCADRP CN(CCNC(=O)CCC[NH+]1CCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579177481 1276940202 /nfs/dbraw/zinc/94/02/02/1276940202.db2.gz NMWJXCSGPQNZML-UHFFFAOYSA-N 2 0 358.450 0.690 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[NH+]1CCCCC1 ZINC001579215000 1277011115 /nfs/dbraw/zinc/01/11/15/1277011115.db2.gz UHQZJJXPMICZRG-UHFFFAOYSA-N 2 0 358.450 0.430 20 0 FCADRP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326587 1277149772 /nfs/dbraw/zinc/14/97/72/1277149772.db2.gz PRKORLKSQKIAPY-LBPRGKRZSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326157 1277150168 /nfs/dbraw/zinc/15/01/68/1277150168.db2.gz MKOZKXGZXDJCQD-UGSOOPFHSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326306 1277150364 /nfs/dbraw/zinc/15/03/64/1277150364.db2.gz JJNHDTSKYOEIHN-QWHCGFSZSA-N 2 0 356.434 0.038 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579327294 1277154484 /nfs/dbraw/zinc/15/44/84/1277154484.db2.gz ZFRSGFSNWPMUIO-CVEARBPZSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331354 1277160262 /nfs/dbraw/zinc/16/02/62/1277160262.db2.gz AUXZVINJRJZYOI-DLBZAZTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333362 1277169414 /nfs/dbraw/zinc/16/94/14/1277169414.db2.gz QEHDLNDTLBMGSE-NVXWUHKLSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334944 1277173354 /nfs/dbraw/zinc/17/33/54/1277173354.db2.gz KEDNLBUHBGOXPG-WIHSUSGWSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335711 1277178020 /nfs/dbraw/zinc/17/80/20/1277178020.db2.gz UFHMQHVBGUIEFN-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339562 1277182884 /nfs/dbraw/zinc/18/28/84/1277182884.db2.gz JLNGUORAAYUXPX-DJIMGWMZSA-N 2 0 369.473 0.803 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC1CC[NH+](C)CC1 ZINC001579339391 1277183513 /nfs/dbraw/zinc/18/35/13/1277183513.db2.gz HAAJAFOBZQWTDQ-UHFFFAOYSA-N 2 0 358.450 0.286 20 0 FCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340295 1277184804 /nfs/dbraw/zinc/18/48/04/1277184804.db2.gz TYBSFMLEJMXRFC-KGLIPLIRSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340956 1277186548 /nfs/dbraw/zinc/18/65/48/1277186548.db2.gz DIJSJPJCMAMFRT-KGLIPLIRSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343654 1277193310 /nfs/dbraw/zinc/19/33/10/1277193310.db2.gz AXLMUKBESBEMHM-HSBZDZAISA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346537 1277198989 /nfs/dbraw/zinc/19/89/89/1277198989.db2.gz RJTCDBOIQNBYQF-GOEBONIOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579347952 1277202999 /nfs/dbraw/zinc/20/29/99/1277202999.db2.gz RCJVGKKFXXKBMD-DJIMGWMZSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353088 1277208631 /nfs/dbraw/zinc/20/86/31/1277208631.db2.gz CVZXKLMHIKDKOJ-CJNGLKHVSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353135 1277212219 /nfs/dbraw/zinc/21/22/19/1277212219.db2.gz DYAYRPFZUYQMKP-QGZVFWFLSA-N 2 0 369.473 0.995 20 0 FCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353627 1277214906 /nfs/dbraw/zinc/21/49/06/1277214906.db2.gz QGXZGTYKGKCPHQ-SJORKVTESA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358686 1277226793 /nfs/dbraw/zinc/22/67/93/1277226793.db2.gz IEMWVHRBFZWAAX-IAGOWNOFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001579358842 1277228237 /nfs/dbraw/zinc/22/82/37/1277228237.db2.gz KQGJCNFVORTXQN-HNNXBMFYSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359690 1277233522 /nfs/dbraw/zinc/23/35/22/1277233522.db2.gz ZWRWOPXWVCQLLN-HNNXBMFYSA-N 2 0 370.461 0.476 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361593 1277237479 /nfs/dbraw/zinc/23/74/79/1277237479.db2.gz OUYPRTDVJYQESS-GOEBONIOSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579371953 1277253279 /nfs/dbraw/zinc/25/32/79/1277253279.db2.gz FZPJZSNCPOKBHW-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381364 1277258429 /nfs/dbraw/zinc/25/84/29/1277258429.db2.gz WFRDMXQIFUXUNL-ILXRZTDVSA-N 2 0 358.446 0.490 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001579440077 1277316986 /nfs/dbraw/zinc/31/69/86/1277316986.db2.gz NPYQXDFOMWAJPZ-CQSZACIVSA-N 2 0 350.463 0.597 20 0 FCADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC001579473708 1277380430 /nfs/dbraw/zinc/38/04/30/1277380430.db2.gz JRWBVYVRQVNVPA-WBMJQRKESA-N 2 0 352.460 0.204 20 0 FCADRP Cc1cccc(-c2nnc(N3C[C@@H]4C[C@]4([NH3+])C3)n2CCOCC[NH+](C)C)n1 ZINC001579748589 1277858735 /nfs/dbraw/zinc/85/87/35/1277858735.db2.gz DHWBXQYJOPHDFB-KXBFYZLASA-N 2 0 371.489 0.764 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC001580028591 1277996535 /nfs/dbraw/zinc/99/65/35/1277996535.db2.gz REQSFXZDJPSPGT-CYBMUJFWSA-N 2 0 373.461 0.565 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001580088996 1278003659 /nfs/dbraw/zinc/00/36/59/1278003659.db2.gz GHVAMNBVQIXPGV-QAPCUYQASA-N 2 0 351.495 0.359 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccco1 ZINC001714390421 1287320599 /nfs/dbraw/zinc/32/05/99/1287320599.db2.gz FRMAVTOKTRPFGA-IIAWOOMASA-N 2 0 350.463 0.578 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580270788 1278063711 /nfs/dbraw/zinc/06/37/11/1278063711.db2.gz FBQCUAMMPFREHD-WCQYABFASA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580276938 1278071097 /nfs/dbraw/zinc/07/10/97/1278071097.db2.gz HEQBDVUEBABIAK-NSHDSACASA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580277024 1278073114 /nfs/dbraw/zinc/07/31/14/1278073114.db2.gz QVBBAVPGSHKHOV-AAEUAGOBSA-N 2 0 361.425 0.552 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941563 1279150121 /nfs/dbraw/zinc/15/01/21/1279150121.db2.gz RWAOUUHFHUFFHU-ZDUSSCGKSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949103 1279155415 /nfs/dbraw/zinc/15/54/15/1279155415.db2.gz NSYPKEBKJNUZHI-ZIAGYGMSSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956599 1279159971 /nfs/dbraw/zinc/15/99/71/1279159971.db2.gz LJALKVSXLOWEMM-AWEZNQCLSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960393 1279163350 /nfs/dbraw/zinc/16/33/50/1279163350.db2.gz DDDPCMAUOVPBSJ-ZIAGYGMSSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989528 1279189798 /nfs/dbraw/zinc/18/97/98/1279189798.db2.gz OFENJXMXBTZVPW-QWHCGFSZSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991414 1279195055 /nfs/dbraw/zinc/19/50/55/1279195055.db2.gz OQFWJEJYACMHCU-CHWSQXEVSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991422 1279195384 /nfs/dbraw/zinc/19/53/84/1279195384.db2.gz OSEWUGLJGZKDGH-CZUORRHYSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991954 1279196832 /nfs/dbraw/zinc/19/68/32/1279196832.db2.gz ZMPAQFSRAHXRAA-CYBMUJFWSA-N 2 0 372.477 0.593 20 0 FCADRP CC(C)[C@H](CCN(C)C(=O)CC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603210835 1287332047 /nfs/dbraw/zinc/33/20/47/1287332047.db2.gz IMSRHXCJWCDALW-HNNXBMFYSA-N 2 0 374.493 0.920 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996035 1279207430 /nfs/dbraw/zinc/20/74/30/1279207430.db2.gz UNWMVTHAVOYNQF-GFCCVEGCSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002386 1279219683 /nfs/dbraw/zinc/21/96/83/1279219683.db2.gz PRTKHDSDMDAYHW-UONOGXRCSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002384 1279219741 /nfs/dbraw/zinc/21/97/41/1279219741.db2.gz PRTKHDSDMDAYHW-KBPBESRZSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006946 1279226136 /nfs/dbraw/zinc/22/61/36/1279226136.db2.gz YLVZETJNJWDIMH-GXTWGEPZSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006947 1279226976 /nfs/dbraw/zinc/22/69/76/1279226976.db2.gz YLVZETJNJWDIMH-JSGCOSHPSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013853 1279240760 /nfs/dbraw/zinc/24/07/60/1279240760.db2.gz XWEQYNIUUIOXMT-ZDUSSCGKSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NCC2(CCNC(=O)CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018946 1279250478 /nfs/dbraw/zinc/25/04/78/1279250478.db2.gz HOJZPZDYCLBDBM-UHFFFAOYSA-N 2 0 372.477 0.642 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025162 1279257813 /nfs/dbraw/zinc/25/78/13/1279257813.db2.gz QASRCQNHMBZDQE-IAQYHMDHSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030171 1279266600 /nfs/dbraw/zinc/26/66/00/1279266600.db2.gz OBKMPAWHWAEWES-GFCCVEGCSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038545 1279274771 /nfs/dbraw/zinc/27/47/71/1279274771.db2.gz QOJJYISNZGPURA-BETUJISGSA-N 2 0 356.434 0.147 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCOCC3)CCCC2)CC[N@@H+]1C ZINC001715299487 1287348992 /nfs/dbraw/zinc/34/89/92/1287348992.db2.gz LDLLWUOMRXPDOG-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716103411 1287373359 /nfs/dbraw/zinc/37/33/59/1287373359.db2.gz PIPBKTRDFXVXLH-QRVBRYPASA-N 2 0 371.485 0.332 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001603517732 1287399297 /nfs/dbraw/zinc/39/92/97/1287399297.db2.gz NUIFYJFMARICDP-ZDUSSCGKSA-N 2 0 372.477 0.725 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603531443 1287412225 /nfs/dbraw/zinc/41/22/25/1287412225.db2.gz YCCHPAMRAFKMMH-ZDUSSCGKSA-N 2 0 358.450 0.476 20 0 FCADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001717212158 1287412451 /nfs/dbraw/zinc/41/24/51/1287412451.db2.gz QXSFOJSZFQMLFT-JQHSSLGASA-N 2 0 360.502 0.986 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)[NH3+] ZINC001603599174 1287435674 /nfs/dbraw/zinc/43/56/74/1287435674.db2.gz QAOYNZZPAIWABC-QWHCGFSZSA-N 2 0 360.466 0.676 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582099209 1281054127 /nfs/dbraw/zinc/05/41/27/1281054127.db2.gz LYGXJXBIBRHYQF-KRWDZBQOSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582099252 1281055534 /nfs/dbraw/zinc/05/55/34/1281055534.db2.gz NBLHVVKPAJMXGI-UHFFFAOYSA-N 2 0 355.446 0.701 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582100466 1281056405 /nfs/dbraw/zinc/05/64/05/1281056405.db2.gz HWNZNRRESARYCZ-GASCZTMLSA-N 2 0 373.436 0.838 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001582100292 1281057240 /nfs/dbraw/zinc/05/72/40/1281057240.db2.gz DFUMVOUZTAILFC-VQFNDLOPSA-N 2 0 367.457 0.509 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582311178 1281314362 /nfs/dbraw/zinc/31/43/62/1281314362.db2.gz HNJAUVQPCHHYKH-MRXNPFEDSA-N 2 0 367.457 0.653 20 0 FCADRP O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001582395355 1281457059 /nfs/dbraw/zinc/45/70/59/1281457059.db2.gz CISLSYWNHRHXRZ-AWEZNQCLSA-N 2 0 368.445 0.086 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C[C@@H]1C[NH3+] ZINC001603847999 1287517136 /nfs/dbraw/zinc/51/71/36/1287517136.db2.gz VQKQPEGYQAWPFV-QPSCCSFWSA-N 2 0 360.462 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001584689220 1282165707 /nfs/dbraw/zinc/16/57/07/1282165707.db2.gz AKYUMOQEVQNYEK-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001585133876 1282204188 /nfs/dbraw/zinc/20/41/88/1282204188.db2.gz RYTLVBXHRPXSEI-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001718943042 1287597655 /nfs/dbraw/zinc/59/76/55/1287597655.db2.gz BBJSXOSZIJFBER-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589816299 1283050204 /nfs/dbraw/zinc/05/02/04/1283050204.db2.gz ZLTGCZALZPEEBX-ZDUSSCGKSA-N 2 0 360.466 0.721 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1 ZINC001719069218 1287652176 /nfs/dbraw/zinc/65/21/76/1287652176.db2.gz HBFPAFVOOGXINA-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495321 1283625558 /nfs/dbraw/zinc/62/55/58/1283625558.db2.gz VCYNVGNAUVQXBN-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[NH+]1CCCC1 ZINC001590711196 1283747716 /nfs/dbraw/zinc/74/77/16/1283747716.db2.gz LDTSBAICHWXAOQ-UHFFFAOYSA-N 2 0 363.491 0.962 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCCC[NH+]1CCCC1 ZINC001591107488 1284179390 /nfs/dbraw/zinc/17/93/90/1284179390.db2.gz VDHXRFMNCNZIHV-UHFFFAOYSA-N 2 0 372.477 0.820 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001591175953 1284266502 /nfs/dbraw/zinc/26/65/02/1284266502.db2.gz AHODPUPLNZKFFU-CWRNSKLLSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175593 1284267177 /nfs/dbraw/zinc/26/71/77/1284267177.db2.gz QDSJZTOIMLZXSU-OLZOCXBDSA-N 2 0 356.434 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591177830 1284274967 /nfs/dbraw/zinc/27/49/67/1284274967.db2.gz OEUINLBFXHKUJO-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP COCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591398695 1284537895 /nfs/dbraw/zinc/53/78/95/1284537895.db2.gz JLEFIEQKPQSCFJ-INIZCTEOSA-N 2 0 373.461 0.311 20 0 FCADRP COCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591398696 1284538148 /nfs/dbraw/zinc/53/81/48/1284538148.db2.gz JLEFIEQKPQSCFJ-MRXNPFEDSA-N 2 0 373.461 0.311 20 0 FCADRP C[NH+](C)CCC(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604680578 1287727371 /nfs/dbraw/zinc/72/73/71/1287727371.db2.gz MIXIUPOLBBTKKP-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001591757494 1284886072 /nfs/dbraw/zinc/88/60/72/1284886072.db2.gz MZBCZPZNHYRNCQ-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047170 1285089832 /nfs/dbraw/zinc/08/98/32/1285089832.db2.gz KGARKCIOHJLWCL-ZDUSSCGKSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCCCNC(=O)C23CCC[NH+]2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048087 1285093081 /nfs/dbraw/zinc/09/30/81/1285093081.db2.gz WMBVPMZNTKVESD-UHFFFAOYSA-N 2 0 370.461 0.539 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592054708 1285096806 /nfs/dbraw/zinc/09/68/06/1285096806.db2.gz FDVJTKQWGSFBCU-HFBAOOFYSA-N 2 0 370.461 0.345 20 0 FCADRP Fc1ccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c(-c2nn[nH]n2)c1 ZINC001592651496 1285562309 /nfs/dbraw/zinc/56/23/09/1285562309.db2.gz ZVXBFNPRNJTUEU-AWEZNQCLSA-N 2 0 373.436 0.506 20 0 FCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001592741451 1285658561 /nfs/dbraw/zinc/65/85/61/1285658561.db2.gz SKGAPCXQBQRPJF-WTXIUTQJSA-N 2 0 358.446 0.951 20 0 FCADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592844978 1285752960 /nfs/dbraw/zinc/75/29/60/1285752960.db2.gz LINYRZKIHRWQRP-UHFFFAOYSA-N 2 0 357.462 0.949 20 0 FCADRP O=C(N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001592945074 1285836448 /nfs/dbraw/zinc/83/64/48/1285836448.db2.gz QBDSEALNJZQBCM-INIZCTEOSA-N 2 0 367.457 0.653 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038324 1285921716 /nfs/dbraw/zinc/92/17/16/1285921716.db2.gz RYXJVJLESTZUPS-NVXWUHKLSA-N 2 0 369.473 0.947 20 0 FCADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504935 1286185106 /nfs/dbraw/zinc/18/51/06/1286185106.db2.gz HBYZEZZFBNENAU-CJNGLKHVSA-N 2 0 358.446 0.680 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001609374613 1289127472 /nfs/dbraw/zinc/12/74/72/1289127472.db2.gz JWDHQYNJQJYFLT-AWEZNQCLSA-N 2 0 374.493 0.890 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001605431464 1287959843 /nfs/dbraw/zinc/95/98/43/1287959843.db2.gz SCHGMHHWUWMFTQ-MGPQQGTHSA-N 2 0 370.461 0.427 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733542 1288065330 /nfs/dbraw/zinc/06/53/30/1288065330.db2.gz FWSHXZSMRZUMIS-MRXNPFEDSA-N 2 0 374.493 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C2)CC[N@@H+]1C ZINC001731443953 1288557715 /nfs/dbraw/zinc/55/77/15/1288557715.db2.gz JOFKNRIMZQRRAM-FDYHWXHSSA-N 2 0 364.412 0.584 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001607055075 1288625288 /nfs/dbraw/zinc/62/52/88/1288625288.db2.gz UWKLTTKBNMJSHJ-AEGPPILISA-N 2 0 355.402 0.234 20 0 FCADRP OC[C@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105220 1288663670 /nfs/dbraw/zinc/66/36/70/1288663670.db2.gz BOBPAFRKDQZVFE-GJZGRUSLSA-N 2 0 372.473 0.495 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001691936306 1289347586 /nfs/dbraw/zinc/34/75/86/1289347586.db2.gz VEJXOHYNRXQRQU-OWCLPIDISA-N 2 0 368.522 0.448 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691947386 1289348349 /nfs/dbraw/zinc/34/83/49/1289348349.db2.gz BIVBESRZKJGRMJ-YESZJQIVSA-N 2 0 350.507 0.681 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCCO)cn1 ZINC001691978656 1289355117 /nfs/dbraw/zinc/35/51/17/1289355117.db2.gz OVQJFMQROXPQSA-DLBZAZTESA-N 2 0 365.522 0.664 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001692064288 1289382611 /nfs/dbraw/zinc/38/26/11/1289382611.db2.gz FLKPXGXINLFBAI-IXDOHACOSA-N 2 0 370.513 0.973 20 0 FCADRP CO[C@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001692130296 1289402469 /nfs/dbraw/zinc/40/24/69/1289402469.db2.gz HOAREAJSCJZXSK-YRGRVCCFSA-N 2 0 351.451 0.263 20 0 FCADRP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)CC1 ZINC001692281165 1289441066 /nfs/dbraw/zinc/44/10/66/1289441066.db2.gz UHIWZINGBSAUSY-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001692278261 1289441376 /nfs/dbraw/zinc/44/13/76/1289441376.db2.gz ZVJZARGYGYLVTR-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001692281274 1289441414 /nfs/dbraw/zinc/44/14/14/1289441414.db2.gz XWHYTGCRIRZZHR-BBWFWOEESA-N 2 0 371.547 0.543 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286915 1289444566 /nfs/dbraw/zinc/44/45/66/1289444566.db2.gz VYQQJHDYXXPHHW-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001692319610 1289446685 /nfs/dbraw/zinc/44/66/85/1289446685.db2.gz RKDJJYWKOKKRID-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001693508497 1289472467 /nfs/dbraw/zinc/47/24/67/1289472467.db2.gz OFYZDALTEUOLML-UHFFFAOYSA-N 2 0 362.522 0.965 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001698748009 1289535126 /nfs/dbraw/zinc/53/51/26/1289535126.db2.gz IGXGXGSVQWHFKC-AEGPPILISA-N 2 0 365.478 0.994 20 0 FCADRP COCCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001739117370 1289810073 /nfs/dbraw/zinc/81/00/73/1289810073.db2.gz RIVJSJJCVCLSKI-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CCC)C[C@H]1O ZINC001739447528 1290009957 /nfs/dbraw/zinc/00/99/57/1290009957.db2.gz BIVRROLGOJLNCP-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001702361564 1290130977 /nfs/dbraw/zinc/13/09/77/1290130977.db2.gz WHPXEOFLRCLUKG-IKGGRYGDSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001739721040 1290393333 /nfs/dbraw/zinc/39/33/33/1290393333.db2.gz QORLQYRWTPIFDW-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cc(C)no3)C2)CC[N@@H+]1C ZINC001752732068 1290614733 /nfs/dbraw/zinc/61/47/33/1290614733.db2.gz ZSYUDEPMWHWTFN-LJISPDSOSA-N 2 0 363.462 0.889 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001753006872 1290618703 /nfs/dbraw/zinc/61/87/03/1290618703.db2.gz SWAMDOCIZHXOLN-IIAWOOMASA-N 2 0 354.495 0.106 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)Nc2nccs2)C2CC2)CC[N@@H+]1C ZINC001754440551 1290628338 /nfs/dbraw/zinc/62/83/38/1290628338.db2.gz FFHRYUCTWGPVST-BNOWGMLFSA-N 2 0 365.503 0.906 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001755211380 1290642856 /nfs/dbraw/zinc/64/28/56/1290642856.db2.gz RIBQWCSRDPREAL-RKHAHWSXSA-N 2 0 366.506 0.106 20 0 FCADRP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001757120464 1290717852 /nfs/dbraw/zinc/71/78/52/1290717852.db2.gz ZMOHQVFXJYVSJX-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP CCOC(=O)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001652554703 1291284535 /nfs/dbraw/zinc/28/45/35/1291284535.db2.gz HSDTVKSJYPCXIF-MRXNPFEDSA-N 2 0 371.522 0.717 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC[N@@H+]1C ZINC001688615187 1294512195 /nfs/dbraw/zinc/51/21/95/1294512195.db2.gz SZUDQTFMUFUZSX-RHSMWYFYSA-N 2 0 359.474 0.575 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001689069853 1294592497 /nfs/dbraw/zinc/59/24/97/1294592497.db2.gz VAGQRTRJKPPGLF-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001689075958 1294595919 /nfs/dbraw/zinc/59/59/19/1294595919.db2.gz HQXCTFOAOARGLM-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001689098656 1294617449 /nfs/dbraw/zinc/61/74/49/1294617449.db2.gz VWGQXGGUQPEMNY-MCIONIFRSA-N 2 0 367.494 0.128 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)CC[C@@H]2C1 ZINC001689230184 1294690026 /nfs/dbraw/zinc/69/00/26/1294690026.db2.gz QWJBTIAQKJOZLA-CVEARBPZSA-N 2 0 371.547 0.543 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1CCOCC(F)(F)F ZINC001689284705 1294713165 /nfs/dbraw/zinc/71/31/65/1294713165.db2.gz GJHQPFCVVXSHRD-FRRDWIJNSA-N 2 0 353.385 0.475 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001691500982 1294896077 /nfs/dbraw/zinc/89/60/77/1294896077.db2.gz AWZAGMBHUZEIDH-QBPKDAKJSA-N 2 0 350.507 0.824 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001691759164 1294919411 /nfs/dbraw/zinc/91/94/11/1294919411.db2.gz GUDMEKOMMCNFOH-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164683617 719730981 /nfs/dbraw/zinc/73/09/81/719730981.db2.gz BDKGLJGZJOWKNG-UHFFFAOYSA-N 2 0 372.517 0.672 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)C[NH2+]C3)CCC2 ZINC001164814069 720223054 /nfs/dbraw/zinc/22/30/54/720223054.db2.gz SAVHWERXLXDBKJ-UHFFFAOYSA-N 2 0 369.473 0.887 20 0 FCADRP C[NH+](C)Cc1ccnc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)c1 ZINC001164817112 720247476 /nfs/dbraw/zinc/24/74/76/720247476.db2.gz OXUPMESNBXZMRS-UHFFFAOYSA-N 2 0 356.430 0.405 20 0 FCADRP Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164739046 720627666 /nfs/dbraw/zinc/62/76/66/720627666.db2.gz DKKLSEDEHZKITB-GJZGRUSLSA-N 2 0 355.446 0.983 20 0 FCADRP c1ncc(O[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164744164 720730118 /nfs/dbraw/zinc/73/01/18/720730118.db2.gz RIGJFWRLKIUBIS-LSDHHAIUSA-N 2 0 353.430 0.254 20 0 FCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164847052 720833127 /nfs/dbraw/zinc/83/31/27/720833127.db2.gz HVXJAKHUYZJNGU-QAPCUYQASA-N 2 0 361.490 0.338 20 0 FCADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164865668 721086088 /nfs/dbraw/zinc/08/60/88/721086088.db2.gz OEXURPXZQDQZQV-IRXDYDNUSA-N 2 0 352.442 0.955 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164765743 721164028 /nfs/dbraw/zinc/16/40/28/721164028.db2.gz IDYRALTXHANCFL-RDJZCZTQSA-N 2 0 353.474 0.814 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164765746 721165837 /nfs/dbraw/zinc/16/58/37/721165837.db2.gz IDYRALTXHANCFL-WBVHZDCISA-N 2 0 353.474 0.814 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001070381455 837651371 /nfs/dbraw/zinc/65/13/71/837651371.db2.gz AWWHLCLRGZSBMR-OGWOLHLISA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001071100949 837733879 /nfs/dbraw/zinc/73/38/79/837733879.db2.gz IVLISSXOOAIZEO-AOIWGVFYSA-N 2 0 351.491 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001100343514 844051691 /nfs/dbraw/zinc/05/16/91/844051691.db2.gz FZPRGUGPJBLWPF-RKHAHWSXSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187768 836066469 /nfs/dbraw/zinc/06/64/69/836066469.db2.gz YPPKBXRXFMZENY-NVXWUHKLSA-N 2 0 352.504 0.637 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101257869 844123975 /nfs/dbraw/zinc/12/39/75/844123975.db2.gz PQSYTNADCVVADO-LMMKCTJWSA-N 2 0 353.507 0.650 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)CCCCC1 ZINC001101310730 844142455 /nfs/dbraw/zinc/14/24/55/844142455.db2.gz WCJDWGCFBHCYCO-QAPCUYQASA-N 2 0 350.507 0.764 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101341638 844151427 /nfs/dbraw/zinc/15/14/27/844151427.db2.gz NJPZCXSWMICORS-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101362848 844160837 /nfs/dbraw/zinc/16/08/37/844160837.db2.gz HGYLYBXBYLWSFM-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101366044 844161538 /nfs/dbraw/zinc/16/15/38/844161538.db2.gz YDIHGCLZDNLIOL-BEFAXECRSA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101365751 844161823 /nfs/dbraw/zinc/16/18/23/844161823.db2.gz IBPZVXNWOQFFOH-GJYPPUQNSA-N 2 0 350.507 0.633 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418160 844180616 /nfs/dbraw/zinc/18/06/16/844180616.db2.gz CENNPWWNJGSJEO-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440970 844186620 /nfs/dbraw/zinc/18/66/20/844186620.db2.gz DSPOALPTHCEZLZ-FCEWJHQRSA-N 2 0 352.523 0.975 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101440848 844186861 /nfs/dbraw/zinc/18/68/61/844186861.db2.gz XLELQRHQWHVJSN-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)CC[N@@H+]1C ZINC001061120592 836681140 /nfs/dbraw/zinc/68/11/40/836681140.db2.gz GBKLNBMXTVPDSN-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461735 844193123 /nfs/dbraw/zinc/19/31/23/844193123.db2.gz QZTTZAZPXHADAQ-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)COCC[NH+](C)C)CCC2)CC[N@@H+]1C ZINC001063718514 836783214 /nfs/dbraw/zinc/78/32/14/836783214.db2.gz IDZURQASRLTIJQ-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207034 836822428 /nfs/dbraw/zinc/82/24/28/836822428.db2.gz OOEBPCIPFBNYGT-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001075943107 837931187 /nfs/dbraw/zinc/93/11/87/837931187.db2.gz BSFIKPNCIGRCDA-RRFJBIMHSA-N 2 0 350.463 0.008 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323761 837983170 /nfs/dbraw/zinc/98/31/70/837983170.db2.gz GJWNSUHJCBPMCN-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003144 838208917 /nfs/dbraw/zinc/20/89/17/838208917.db2.gz VAUUNLNARWKCJP-BZUAXINKSA-N 2 0 364.515 0.497 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974770 844357048 /nfs/dbraw/zinc/35/70/48/844357048.db2.gz PHRIVUKSMYFTQP-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001077495282 838995174 /nfs/dbraw/zinc/99/51/74/838995174.db2.gz AJIQSARKXMDFBI-HRCADAONSA-N 2 0 356.511 0.306 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504885 839001960 /nfs/dbraw/zinc/00/19/60/839001960.db2.gz DFWBUAZDHDLHHT-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045016 844394302 /nfs/dbraw/zinc/39/43/02/844394302.db2.gz NWZKLASYWNBWBU-QLFBSQMISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102047864 844395734 /nfs/dbraw/zinc/39/57/34/844395734.db2.gz VXVTXTFMURFSGA-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001077923750 839234126 /nfs/dbraw/zinc/23/41/26/839234126.db2.gz BIXZQOFKGXMMKF-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189161 844438924 /nfs/dbraw/zinc/43/89/24/844438924.db2.gz YZUBETJMIJAYMG-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227286 839494885 /nfs/dbraw/zinc/49/48/85/839494885.db2.gz LWQDVPOTKVLLNE-GVDBMIGSSA-N 2 0 351.491 0.666 20 0 FCADRP CC[C@H](C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079248411 839499445 /nfs/dbraw/zinc/49/94/45/839499445.db2.gz XTEZZIGLMZGTPX-GVDBMIGSSA-N 2 0 353.507 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001079732318 839582837 /nfs/dbraw/zinc/58/28/37/839582837.db2.gz KEGCYMBWZQAXTG-QKPAOTATSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290744 844460105 /nfs/dbraw/zinc/46/01/05/844460105.db2.gz TZKCNYUMPYKMCS-RBSFLKMASA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667613 839774796 /nfs/dbraw/zinc/77/47/96/839774796.db2.gz NDRQTEDIJZDKOI-HZPDHXFCSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369780 844477585 /nfs/dbraw/zinc/47/75/85/844477585.db2.gz GTOYQUQDKKMZIS-BFYDXBDKSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370105 844477640 /nfs/dbraw/zinc/47/76/40/844477640.db2.gz REKIWFVPYKUQNH-ARFHVFGLSA-N 2 0 351.495 0.038 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001102377186 844480250 /nfs/dbraw/zinc/48/02/50/844480250.db2.gz SCVHJPMUAIMOEC-OIISXLGYSA-N 2 0 352.523 0.879 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433717 844497060 /nfs/dbraw/zinc/49/70/60/844497060.db2.gz DEOFEMGJZZYMFE-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001082059581 840167528 /nfs/dbraw/zinc/16/75/28/840167528.db2.gz WGSWHGLCRGLRIS-FGTMMUONSA-N 2 0 353.507 0.981 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095874 840182721 /nfs/dbraw/zinc/18/27/21/840182721.db2.gz MVRNUAZRCBQBJW-CGTJXYLNSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102475531 844515665 /nfs/dbraw/zinc/51/56/65/844515665.db2.gz RYPYRACUWDBUMA-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488897 844524462 /nfs/dbraw/zinc/52/44/62/844524462.db2.gz MELABSTVTYMIEH-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082557658 840465044 /nfs/dbraw/zinc/46/50/44/840465044.db2.gz WSDAIDZVJMMWRJ-RBSFLKMASA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082561867 840465987 /nfs/dbraw/zinc/46/59/87/840465987.db2.gz XDMJXJMWGMCVOL-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001082592113 840478635 /nfs/dbraw/zinc/47/86/35/840478635.db2.gz NXYORUHVOYXULG-QLFBSQMISA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncs1 ZINC001082653540 840512517 /nfs/dbraw/zinc/51/25/17/840512517.db2.gz PVSWLBIXXLYRLF-DNBFMWSQSA-N 2 0 362.499 0.943 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001082681564 840521848 /nfs/dbraw/zinc/52/18/48/840521848.db2.gz AXXNIXKKGULRKT-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082741743 840542547 /nfs/dbraw/zinc/54/25/47/840542547.db2.gz AHHUIVZCZCEIKJ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082743881 840544196 /nfs/dbraw/zinc/54/41/96/840544196.db2.gz HHGRXNFSCBWMDJ-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082782476 840557906 /nfs/dbraw/zinc/55/79/06/840557906.db2.gz AKFJOOOPQZAFIM-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082783726 840559356 /nfs/dbraw/zinc/55/93/56/840559356.db2.gz LXABHLLUKWZUBF-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102525759 844552877 /nfs/dbraw/zinc/55/28/77/844552877.db2.gz TWISDJDMFZRPTB-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525670 844553031 /nfs/dbraw/zinc/55/30/31/844553031.db2.gz OMQJKOAQHLGLAY-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001082921812 840603481 /nfs/dbraw/zinc/60/34/81/840603481.db2.gz LOSRBJRVVRXIPY-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)C1CC1 ZINC001102579282 844573578 /nfs/dbraw/zinc/57/35/78/844573578.db2.gz QKZCBRMOKQDBMK-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578384 844573626 /nfs/dbraw/zinc/57/36/26/844573626.db2.gz ZNSNEMGWCKLTFZ-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579322 844574854 /nfs/dbraw/zinc/57/48/54/844574854.db2.gz RZDXRLJWKWDQRP-KURKYZTESA-N 2 0 353.507 0.962 20 0 FCADRP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083470094 841042744 /nfs/dbraw/zinc/04/27/44/841042744.db2.gz YTFNBBPPFHGVFX-BDXSIMOUSA-N 2 0 353.507 0.551 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475065 841050559 /nfs/dbraw/zinc/05/05/59/841050559.db2.gz PRHHVTTZYFDLQW-MLHJIOFPSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275833626 861220293 /nfs/dbraw/zinc/22/02/93/861220293.db2.gz LSDVXAZCZHHCFG-IBGZPJMESA-N 2 0 351.491 0.668 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)OC)C[C@@H]2O)o1 ZINC001084110121 841712343 /nfs/dbraw/zinc/71/23/43/841712343.db2.gz HVVVNXOZUXLOEG-IMJJTQAJSA-N 2 0 353.463 0.931 20 0 FCADRP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC001084405193 841788127 /nfs/dbraw/zinc/78/81/27/841788127.db2.gz CADBLDSVFYSEOT-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2)C(N)=O ZINC001275881275 861246751 /nfs/dbraw/zinc/24/67/51/861246751.db2.gz YRBTUSCSYVIOBR-PMPSAXMXSA-N 2 0 350.507 0.810 20 0 FCADRP COCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971050 841974470 /nfs/dbraw/zinc/97/44/70/841974470.db2.gz JZDCIDXTSGDCBQ-SJORKVTESA-N 2 0 353.507 0.914 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1 ZINC001085374020 842089908 /nfs/dbraw/zinc/08/99/08/842089908.db2.gz UUTTTYBIAZBNRQ-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC001086091021 842119703 /nfs/dbraw/zinc/11/97/03/842119703.db2.gz DMVIASAYEGDYJC-DMRKSPOLSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090511 842119757 /nfs/dbraw/zinc/11/97/57/842119757.db2.gz CHYDVPVEZDGIGI-BPKGMFCQSA-N 2 0 371.547 0.636 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC001086793204 842175192 /nfs/dbraw/zinc/17/51/92/842175192.db2.gz HTFSTQVPQWBCBO-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001086875367 842186478 /nfs/dbraw/zinc/18/64/78/842186478.db2.gz PTOZRBQWCORLFM-YESZJQIVSA-N 2 0 371.547 0.637 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087035319 842232356 /nfs/dbraw/zinc/23/23/56/842232356.db2.gz WCFJDEXUELGSDO-RBSFLKMASA-N 2 0 367.519 0.894 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087034914 842232618 /nfs/dbraw/zinc/23/26/18/842232618.db2.gz CYDORJIRKYZLNY-QLFBSQMISA-N 2 0 367.519 0.894 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083483 842275589 /nfs/dbraw/zinc/27/55/89/842275589.db2.gz HJIXIWMUKFKSDX-SQWLQELKSA-N 2 0 351.451 0.365 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087084666 842277777 /nfs/dbraw/zinc/27/77/77/842277777.db2.gz NLUOGCKUBFEMON-VNQPRFMTSA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087084910 842279531 /nfs/dbraw/zinc/27/95/31/842279531.db2.gz ZIHCUHNPMCNUSJ-VNQPRFMTSA-N 2 0 353.467 0.671 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]C(C)C ZINC001087090906 842281375 /nfs/dbraw/zinc/28/13/75/842281375.db2.gz JJDREFQDSPKREU-NVXWUHKLSA-N 2 0 351.495 0.920 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087096192 842285443 /nfs/dbraw/zinc/28/54/43/842285443.db2.gz BPLFCZFWOCRSFR-IIAWOOMASA-N 2 0 351.451 0.365 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087101179 842290074 /nfs/dbraw/zinc/29/00/74/842290074.db2.gz XJZUNGVENAIPGJ-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087101180 842290993 /nfs/dbraw/zinc/29/09/93/842290993.db2.gz XJZUNGVENAIPGJ-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087175575 842307968 /nfs/dbraw/zinc/30/79/68/842307968.db2.gz VFNDZSKTGFERAW-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087213067 842318710 /nfs/dbraw/zinc/31/87/10/842318710.db2.gz CTGUNJLASZOMBX-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CCCO ZINC001087601295 842372766 /nfs/dbraw/zinc/37/27/66/842372766.db2.gz KMWBCRMGZNQJMC-RCCFBDPRSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001276048669 861303188 /nfs/dbraw/zinc/30/31/88/861303188.db2.gz GJPYSLBVPYQPGC-HZPDHXFCSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCCC1=O ZINC001087796827 842433279 /nfs/dbraw/zinc/43/32/79/842433279.db2.gz NUKLMOLQILZNGQ-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088003092 842497604 /nfs/dbraw/zinc/49/76/04/842497604.db2.gz JDYBQUWGJFAPSG-RYRKJORJSA-N 2 0 350.507 0.585 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077151 842524941 /nfs/dbraw/zinc/52/49/41/842524941.db2.gz LSLHERRNYOUBSM-IKGGRYGDSA-N 2 0 350.507 0.635 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107384 842532741 /nfs/dbraw/zinc/53/27/41/842532741.db2.gz VIFCUKLIRPVBDU-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106762 842533026 /nfs/dbraw/zinc/53/30/26/842533026.db2.gz PRJJOXKFKZYIFQ-GLJUWKHASA-N 2 0 354.470 0.465 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088157716 842545976 /nfs/dbraw/zinc/54/59/76/842545976.db2.gz CVAWIJKIDCKOJQ-UAGQMJEPSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088836265 842689959 /nfs/dbraw/zinc/68/99/59/842689959.db2.gz NJBDZOPPYKTODT-HIFRSBDPSA-N 2 0 350.463 0.056 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758856 843089416 /nfs/dbraw/zinc/08/94/16/843089416.db2.gz OJZTXYAEEKTUJB-AYBZRNKSSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910169 843121981 /nfs/dbraw/zinc/12/19/81/843121981.db2.gz KPXRIJZLAUYFLG-CLCXKQKWSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001092275723 843175222 /nfs/dbraw/zinc/17/52/22/843175222.db2.gz MRFIHNSYWAJDRY-JZXOWHBKSA-N 2 0 369.531 0.297 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092301505 843182295 /nfs/dbraw/zinc/18/22/95/843182295.db2.gz LAVLENQMGKUUGG-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092301506 843182468 /nfs/dbraw/zinc/18/24/68/843182468.db2.gz LAVLENQMGKUUGG-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092772724 843296643 /nfs/dbraw/zinc/29/66/43/843296643.db2.gz BPAFVUKFRXGVOS-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001093292273 843421355 /nfs/dbraw/zinc/42/13/55/843421355.db2.gz UNIBSTXJEQBHMW-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O ZINC001093292749 843421845 /nfs/dbraw/zinc/42/18/45/843421845.db2.gz XEGZHYJDVWCAOC-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093825626 843475243 /nfs/dbraw/zinc/47/52/43/843475243.db2.gz MXNVLPOSBYQWEO-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1)[NH+](C)C ZINC001094049174 843508546 /nfs/dbraw/zinc/50/85/46/843508546.db2.gz KYNDXKDYADZDOL-KFWWJZLASA-N 2 0 354.474 0.772 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCOC)CC2 ZINC001276357041 861427751 /nfs/dbraw/zinc/42/77/51/861427751.db2.gz IMSAWPYCGSAIQM-HNNXBMFYSA-N 2 0 355.479 0.298 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094240975 843538974 /nfs/dbraw/zinc/53/89/74/843538974.db2.gz IQCUJPBUQRELKD-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP COCC[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276358071 861429556 /nfs/dbraw/zinc/42/95/56/861429556.db2.gz XXIZHOFVQMVLJR-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780958 844646240 /nfs/dbraw/zinc/64/62/40/844646240.db2.gz WPSQKLJZCUXMPR-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103060532 844693850 /nfs/dbraw/zinc/69/38/50/844693850.db2.gz RFRZXOPQGDHBET-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087882 844698916 /nfs/dbraw/zinc/69/89/16/844698916.db2.gz OGRQPIWHHMOULM-KYJSFNMBSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)[NH+](C)C ZINC001103111653 844703380 /nfs/dbraw/zinc/70/33/80/844703380.db2.gz GMBZKGQULZVMED-ZACQAIPSSA-N 2 0 350.511 0.939 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001103143459 844707402 /nfs/dbraw/zinc/70/74/02/844707402.db2.gz ZZRWBUGUCNJEDA-IAGOWNOFSA-N 2 0 355.523 0.801 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148250 844708846 /nfs/dbraw/zinc/70/88/46/844708846.db2.gz TVWWMAFQULLGRT-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103156774 844712015 /nfs/dbraw/zinc/71/20/15/844712015.db2.gz VQXMEEFIALGFTH-HUUCEWRRSA-N 2 0 361.552 0.836 20 0 FCADRP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103250058 844727259 /nfs/dbraw/zinc/72/72/59/844727259.db2.gz ZRBFVDCNMMXVCT-LDBBTLTOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249860 844727615 /nfs/dbraw/zinc/72/76/15/844727615.db2.gz VAJJXUQULCYACI-QCZOYZIOSA-N 2 0 351.491 0.306 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103309318 844735207 /nfs/dbraw/zinc/73/52/07/844735207.db2.gz VUOBUOIWTUIVBL-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367688 844744470 /nfs/dbraw/zinc/74/44/70/844744470.db2.gz DSTABNIICCERTN-DISONHOPSA-N 2 0 355.523 0.798 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395726 844750669 /nfs/dbraw/zinc/75/06/69/844750669.db2.gz ITSVBLCLJODKFQ-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398154 844750977 /nfs/dbraw/zinc/75/09/77/844750977.db2.gz FOSDVAWVQGFQJY-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436252 844757118 /nfs/dbraw/zinc/75/71/18/844757118.db2.gz QHPFOGVGCUUUKQ-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](COCC(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001103448381 844760639 /nfs/dbraw/zinc/76/06/39/844760639.db2.gz JKSAHMXLMXYFNR-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497504 844768496 /nfs/dbraw/zinc/76/84/96/844768496.db2.gz JOFCYYWZYVEBTG-KBAYOESNSA-N 2 0 355.523 0.800 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550568 844779196 /nfs/dbraw/zinc/77/91/96/844779196.db2.gz XDHUXSWXFCHVDD-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103550142 844779470 /nfs/dbraw/zinc/77/94/70/844779470.db2.gz AQDSDSBOCLEYCP-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103642163 844793773 /nfs/dbraw/zinc/79/37/73/844793773.db2.gz SLMQOMSZUGSQJT-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647170 844794675 /nfs/dbraw/zinc/79/46/75/844794675.db2.gz XJSXFZPDQNDVST-HZPDHXFCSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646845 844795311 /nfs/dbraw/zinc/79/53/11/844795311.db2.gz IFUIKSPSWXNKRV-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755698 844816828 /nfs/dbraw/zinc/81/68/28/844816828.db2.gz NVOUCELFFWANGM-JFIYKMOQSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104186330 844872870 /nfs/dbraw/zinc/87/28/70/844872870.db2.gz ZBZGUMOXVUAXJZ-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP COCCCN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276637002 861510431 /nfs/dbraw/zinc/51/04/31/861510431.db2.gz VHPYOPQALAVLIN-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630363 861507343 /nfs/dbraw/zinc/50/73/43/861507343.db2.gz PKRMYQDHIFFBOG-LPHOPBHVSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104311163 844893409 /nfs/dbraw/zinc/89/34/09/844893409.db2.gz VHGOPUNWTOPNFE-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001104322451 844894358 /nfs/dbraw/zinc/89/43/58/844894358.db2.gz KNOAVFFLYMBNKP-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001104595454 844924172 /nfs/dbraw/zinc/92/41/72/844924172.db2.gz SZYAYCREVILSEF-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001104622096 844926937 /nfs/dbraw/zinc/92/69/37/844926937.db2.gz QCJCMNFRDIVARR-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001104625615 844928101 /nfs/dbraw/zinc/92/81/01/844928101.db2.gz UXFOLSXDNGYREP-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(CC[NH+]3CCCCC3)C2)C1=O ZINC001276639661 861512836 /nfs/dbraw/zinc/51/28/36/861512836.db2.gz LXVLSFSRRXKITH-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104676348 844931634 /nfs/dbraw/zinc/93/16/34/844931634.db2.gz GJENVWUENHRWPI-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678726 844932218 /nfs/dbraw/zinc/93/22/18/844932218.db2.gz ASPVHLLNLLOQRS-GVDBMIGSSA-N 2 0 352.523 0.929 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683929 844932865 /nfs/dbraw/zinc/93/28/65/844932865.db2.gz VLHJNSYYWUJGHY-ZACQAIPSSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104832732 844948950 /nfs/dbraw/zinc/94/89/50/844948950.db2.gz QRTALGWFTIQSFK-QZTJIDSGSA-N 2 0 355.523 0.801 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104907958 844958726 /nfs/dbraw/zinc/95/87/26/844958726.db2.gz BTTPAHUHJNULMA-ZIAGYGMSSA-N 2 0 355.508 0.691 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104938576 844961665 /nfs/dbraw/zinc/96/16/65/844961665.db2.gz VWNPKXMRBXYOOA-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104937492 844961885 /nfs/dbraw/zinc/96/18/85/844961885.db2.gz AUQQFFAFIFMXBK-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC3(CCC([NH2+]CCCO)CC3)C2)CC[N@@H+]1C ZINC001105470951 844987396 /nfs/dbraw/zinc/98/73/96/844987396.db2.gz PPTKDDRYTOIYOX-FXQQTDPRSA-N 2 0 353.507 0.839 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106138832 845111915 /nfs/dbraw/zinc/11/19/15/845111915.db2.gz FTINKTOPSPVBOG-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106150683 845115559 /nfs/dbraw/zinc/11/55/59/845115559.db2.gz ALZKVWTWZATVIF-LVQVYYBASA-N 2 0 359.536 0.445 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198464 845129725 /nfs/dbraw/zinc/12/97/25/845129725.db2.gz BTWGYZYSYURUGE-BZUAXINKSA-N 2 0 358.502 0.877 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC001106198727 845129900 /nfs/dbraw/zinc/12/99/00/845129900.db2.gz LUSPPUNRKQPBBT-IIAWOOMASA-N 2 0 354.474 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106244484 845141757 /nfs/dbraw/zinc/14/17/57/845141757.db2.gz MDFPPAVKQOMWJV-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106249531 845142964 /nfs/dbraw/zinc/14/29/64/845142964.db2.gz JRDKMHIBJYEPNB-MZMPZRCHSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106594430 845202485 /nfs/dbraw/zinc/20/24/85/845202485.db2.gz RWBUIZLWQBBKKA-QLFBSQMISA-N 2 0 350.507 0.679 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592882 845202524 /nfs/dbraw/zinc/20/25/24/845202524.db2.gz XSAOOYBHHSMNEL-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)N(C)C ZINC001106668480 845219733 /nfs/dbraw/zinc/21/97/33/845219733.db2.gz MIEDRTCJGVEPHL-OWCLPIDISA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106672421 845222181 /nfs/dbraw/zinc/22/21/81/845222181.db2.gz VCRHJGKXSBECRO-ZIAGYGMSSA-N 2 0 351.499 0.372 20 0 FCADRP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752137 845241786 /nfs/dbraw/zinc/24/17/86/845241786.db2.gz QBMWRTDIMNFPLG-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106779655 845251356 /nfs/dbraw/zinc/25/13/56/845251356.db2.gz UGUVKQKMYQNSAW-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797309 845255136 /nfs/dbraw/zinc/25/51/36/845255136.db2.gz NFCMZFRDLDGMNK-IAGOWNOFSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106797289 845255907 /nfs/dbraw/zinc/25/59/07/845255907.db2.gz MMMHVCJBLWCTSH-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808993 845257622 /nfs/dbraw/zinc/25/76/22/845257622.db2.gz YLUAWMOAMUXMOE-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106874811 845276058 /nfs/dbraw/zinc/27/60/58/845276058.db2.gz UJOUWKTUPCJTJT-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106874940 845276421 /nfs/dbraw/zinc/27/64/21/845276421.db2.gz ZVYWCOCZHBRLEZ-BZUAXINKSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106880374 845276874 /nfs/dbraw/zinc/27/68/74/845276874.db2.gz HBYKLHSDLGSECU-NVXWUHKLSA-N 2 0 351.495 0.225 20 0 FCADRP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106880846 845277379 /nfs/dbraw/zinc/27/73/79/845277379.db2.gz OTAWCOZFQYWTRU-HZPDHXFCSA-N 2 0 351.495 0.665 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106908167 845284017 /nfs/dbraw/zinc/28/40/17/845284017.db2.gz TVFHBVCPEXPDPC-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107036652 845315726 /nfs/dbraw/zinc/31/57/26/845315726.db2.gz OLAOMHWUGRQJQM-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107036677 845315911 /nfs/dbraw/zinc/31/59/11/845315911.db2.gz PCRMUFANWZNQRT-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037448 845317165 /nfs/dbraw/zinc/31/71/65/845317165.db2.gz HKOXWPVSOOLECU-NUJGCVRESA-N 2 0 352.523 0.927 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042719 845318582 /nfs/dbraw/zinc/31/85/82/845318582.db2.gz ZKAWQNPQFWTBJP-HUUCEWRRSA-N 2 0 351.499 0.607 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042662 845318626 /nfs/dbraw/zinc/31/86/26/845318626.db2.gz XBGRHOVUDZYWBR-ZACQAIPSSA-N 2 0 359.511 0.035 20 0 FCADRP COC(C)(C)C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276727491 861557872 /nfs/dbraw/zinc/55/78/72/861557872.db2.gz FWMUHOZUBUUBRT-GOSISDBHSA-N 2 0 350.463 0.896 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107546677 845396431 /nfs/dbraw/zinc/39/64/31/845396431.db2.gz LHRNIBIDCXTJEO-ZHALLVOQSA-N 2 0 353.507 0.698 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632166 845411787 /nfs/dbraw/zinc/41/17/87/845411787.db2.gz UDXNLZXHPAIZAG-FRQCXROJSA-N 2 0 350.507 0.824 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294228 845616515 /nfs/dbraw/zinc/61/65/15/845616515.db2.gz OBPNYAMRDCCUGG-BDXSIMOUSA-N 2 0 351.491 0.713 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001109361308 845628462 /nfs/dbraw/zinc/62/84/62/845628462.db2.gz RSFBXBFILIMCKG-WCVJEAGWSA-N 2 0 352.458 0.680 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)C12CCC[NH+](CCC1)C2 ZINC001109442709 845654597 /nfs/dbraw/zinc/65/45/97/845654597.db2.gz CTFHFFHPKGVBBF-IKGGRYGDSA-N 2 0 351.491 0.593 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565150 845689602 /nfs/dbraw/zinc/68/96/02/845689602.db2.gz BUABRVIPABASQL-QZWWFDLISA-N 2 0 353.507 0.980 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654094 845705851 /nfs/dbraw/zinc/70/58/51/845705851.db2.gz VTALXPKQWQWTBX-NCOADZHNSA-N 2 0 357.495 0.074 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001109866590 845751330 /nfs/dbraw/zinc/75/13/30/845751330.db2.gz JKEIPCMPXNWULC-NCOADZHNSA-N 2 0 357.495 0.074 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111171915 846053018 /nfs/dbraw/zinc/05/30/18/846053018.db2.gz ZWCZRHOERBPOTJ-HZMVEIRTSA-N 2 0 350.507 0.966 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494347 846127163 /nfs/dbraw/zinc/12/71/63/846127163.db2.gz KXUQBJKOZRLHNN-XDNAFOTISA-N 2 0 353.507 0.981 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001111949190 846272726 /nfs/dbraw/zinc/27/27/26/846272726.db2.gz RTGYOHWQHHWVBM-KXBFYZLASA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCN(C)C1=O)C2 ZINC001111952571 846273926 /nfs/dbraw/zinc/27/39/26/846273926.db2.gz ONKBOLOVOONVJY-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006171 846291583 /nfs/dbraw/zinc/29/15/83/846291583.db2.gz LMOIEGDMQLJYOY-BXWFABGCSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001112166995 846431079 /nfs/dbraw/zinc/43/10/79/846431079.db2.gz CGAHMZMXMQGVHH-LOWDOPEQSA-N 2 0 355.401 0.313 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112189904 846448695 /nfs/dbraw/zinc/44/86/95/846448695.db2.gz BQCKPDKHGREPPT-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193917 846452528 /nfs/dbraw/zinc/45/25/28/846452528.db2.gz AVHZUIWGZVMCEK-BFHYXJOUSA-N 2 0 369.428 0.705 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112206131 846462230 /nfs/dbraw/zinc/46/22/30/846462230.db2.gz ITEAWAUCVJEPCH-JHJVBQTASA-N 2 0 364.412 0.538 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112206132 846463320 /nfs/dbraw/zinc/46/33/20/846463320.db2.gz ITEAWAUCVJEPCH-YNEHKIRRSA-N 2 0 364.412 0.538 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001112359836 846497140 /nfs/dbraw/zinc/49/71/40/846497140.db2.gz NWPARTKBZPDPBJ-NTDBWNAOSA-N 2 0 353.507 0.554 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401612 846501372 /nfs/dbraw/zinc/50/13/72/846501372.db2.gz OECKPFFVPGNRBW-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001112425574 846502787 /nfs/dbraw/zinc/50/27/87/846502787.db2.gz RTTCWKWZPPMXMS-GMBSWORKSA-N 2 0 350.507 0.824 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428157 846503160 /nfs/dbraw/zinc/50/31/60/846503160.db2.gz COBUHIXSEPGETC-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001112518384 846512184 /nfs/dbraw/zinc/51/21/84/846512184.db2.gz GTNQVJATQVZNPM-YJBOKZPZSA-N 2 0 371.547 0.591 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC1 ZINC001112518450 846512527 /nfs/dbraw/zinc/51/25/27/846512527.db2.gz JFENBJYADAYVEX-LPHOPBHVSA-N 2 0 353.507 0.555 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112519187 846512735 /nfs/dbraw/zinc/51/27/35/846512735.db2.gz YMEVOJXJGYYDCN-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524264 846514396 /nfs/dbraw/zinc/51/43/96/846514396.db2.gz DQMJCZYVXDNLHX-WDYCEAGBSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112548524 846521592 /nfs/dbraw/zinc/52/15/92/846521592.db2.gz DSHUNMMWDSOHBP-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112557762 846523057 /nfs/dbraw/zinc/52/30/57/846523057.db2.gz XRMDMNHFXONYTL-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCOC2)C1 ZINC001112563931 846525257 /nfs/dbraw/zinc/52/52/57/846525257.db2.gz VJIQJLQLZPKCTO-LNLFQRSKSA-N 2 0 353.507 0.819 20 0 FCADRP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564122 846525279 /nfs/dbraw/zinc/52/52/79/846525279.db2.gz DVGZPXACOXVNQE-YJBOKZPZSA-N 2 0 369.531 0.345 20 0 FCADRP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578756 846529181 /nfs/dbraw/zinc/52/91/81/846529181.db2.gz FTONRPMEXBGRRD-RDJZCZTQSA-N 2 0 357.520 0.345 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2)C(N)=O ZINC001112585194 846532219 /nfs/dbraw/zinc/53/22/19/846532219.db2.gz GMAFPFFJOPIWEF-BXWFABGCSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958793 861703138 /nfs/dbraw/zinc/70/31/38/861703138.db2.gz APYUCGOELTTXLQ-HKUYNNGSSA-N 2 0 352.523 0.462 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001117359721 846979851 /nfs/dbraw/zinc/97/98/51/846979851.db2.gz KZYKCVAGKNIPMB-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001118035907 847257615 /nfs/dbraw/zinc/25/76/15/847257615.db2.gz XCKRTFCJTDVEFN-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001118156132 847300951 /nfs/dbraw/zinc/30/09/51/847300951.db2.gz RODHKXIYAGZMSF-UHFFFAOYSA-N 2 0 371.503 0.441 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001119310321 847808353 /nfs/dbraw/zinc/80/83/53/847808353.db2.gz YKWXOELVGGPDOU-RHSMWYFYSA-N 2 0 352.479 0.086 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCCC[NH2+]1 ZINC001120543698 848238146 /nfs/dbraw/zinc/23/81/46/848238146.db2.gz GCCOZSQQULVNHP-OLZOCXBDSA-N 2 0 351.417 0.654 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001122005364 848432849 /nfs/dbraw/zinc/43/28/49/848432849.db2.gz YVORVUCZAIEXHR-JENIJYKNSA-N 2 0 350.507 0.431 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCOCC(F)F)CC1 ZINC001127570920 848725990 /nfs/dbraw/zinc/72/59/90/848725990.db2.gz FWBXIGSPKXJNKL-ZBFHGGJFSA-N 2 0 363.449 0.721 20 0 FCADRP Cc1oncc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571362 848726918 /nfs/dbraw/zinc/72/69/18/848726918.db2.gz QGWXQHFTJLLEJU-SJORKVTESA-N 2 0 350.463 0.936 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)Nc2nccs2)CC[N@@H+]1C ZINC001127695456 848732277 /nfs/dbraw/zinc/73/22/77/848732277.db2.gz MNPDFROCXIBBEL-FRRDWIJNSA-N 2 0 353.492 0.906 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001127689933 848733038 /nfs/dbraw/zinc/73/30/38/848733038.db2.gz CMGXTZHGQBWAKO-CZUORRHYSA-N 2 0 350.438 0.488 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851427 848779819 /nfs/dbraw/zinc/77/98/19/848779819.db2.gz MMJDYKNXHPIKGP-OWCLPIDISA-N 2 0 350.467 0.140 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049016 848799829 /nfs/dbraw/zinc/79/98/29/848799829.db2.gz OJLHOXOBESDRLB-KFWWJZLASA-N 2 0 352.458 0.852 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433852 848844259 /nfs/dbraw/zinc/84/42/59/848844259.db2.gz WDMDEWGHQNSBNW-OAGGEKHMSA-N 2 0 352.458 0.711 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858162 848903366 /nfs/dbraw/zinc/90/33/66/848903366.db2.gz QOHUDCLEEFQCHA-UKGLEEDUSA-N 2 0 352.870 0.712 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001129879019 848906483 /nfs/dbraw/zinc/90/64/83/848906483.db2.gz OBDZSPDLJYBRMS-XHSDSOJGSA-N 2 0 352.458 0.710 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919241 848915894 /nfs/dbraw/zinc/91/58/94/848915894.db2.gz RKJZTNZPQVRPAR-CABCVRRESA-N 2 0 352.483 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130047735 848936125 /nfs/dbraw/zinc/93/61/25/848936125.db2.gz PWWDYMMFLAMAKP-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086158 848942303 /nfs/dbraw/zinc/94/23/03/848942303.db2.gz NVOBWSGVASRSQJ-CVEARBPZSA-N 2 0 350.467 0.164 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086285 848942910 /nfs/dbraw/zinc/94/29/10/848942910.db2.gz UGOPKTCZWMMGGS-LMQVBRGUSA-N 2 0 352.870 0.714 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1 ZINC001130107165 848945792 /nfs/dbraw/zinc/94/57/92/848945792.db2.gz GTZURJHAALXWAP-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137122 848949925 /nfs/dbraw/zinc/94/99/25/848949925.db2.gz KCBBUEUOIZHRRZ-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1)OC ZINC001130137064 848950043 /nfs/dbraw/zinc/95/00/43/848950043.db2.gz HJRFQHHGISSGHU-XHSDSOJGSA-N 2 0 352.483 0.385 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001130232643 848981860 /nfs/dbraw/zinc/98/18/60/848981860.db2.gz MCYFGEKXAQVJOR-STQMWFEESA-N 2 0 350.467 0.245 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2ccns2)c1 ZINC001130670284 849026428 /nfs/dbraw/zinc/02/64/28/849026428.db2.gz VHZPFCIXTIRZHD-GOEBONIOSA-N 2 0 362.503 0.913 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130695258 849027357 /nfs/dbraw/zinc/02/73/57/849027357.db2.gz KGEOFSIGWAHHSR-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2[NH2+]CCCO)c1 ZINC001130714472 849028714 /nfs/dbraw/zinc/02/87/14/849028714.db2.gz AQLSEKPRTXORHH-DOTOQJQBSA-N 2 0 351.495 0.418 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n2)O1 ZINC001130787198 849042436 /nfs/dbraw/zinc/04/24/36/849042436.db2.gz DQYUPJJKPVOGAZ-GUTXKFCHSA-N 2 0 352.483 0.837 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C3CC3)[NH+](C)C)n2)O1 ZINC001130790383 849043814 /nfs/dbraw/zinc/04/38/14/849043814.db2.gz XPRPXUBUTRBVGG-GUTXKFCHSA-N 2 0 350.467 0.591 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130820587 849049520 /nfs/dbraw/zinc/04/95/20/849049520.db2.gz ZGICPSJMMDGZBZ-QWHCGFSZSA-N 2 0 356.446 0.540 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131067950 849075916 /nfs/dbraw/zinc/07/59/16/849075916.db2.gz CWBSRQIXQIRQLG-HZPDHXFCSA-N 2 0 351.495 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131091239 849078429 /nfs/dbraw/zinc/07/84/29/849078429.db2.gz BIEDEPKTKZBAQD-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131132374 849083011 /nfs/dbraw/zinc/08/30/11/849083011.db2.gz HKBZUXJSOFZXDY-HZPDHXFCSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316563 849094726 /nfs/dbraw/zinc/09/47/26/849094726.db2.gz NEYOREKYZOXPQV-OAGGEKHMSA-N 2 0 352.479 0.844 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131321137 849096605 /nfs/dbraw/zinc/09/66/05/849096605.db2.gz NYBIUUCTIVVPNP-XHSDSOJGSA-N 2 0 352.479 0.841 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnns2)CC1 ZINC001131564374 849123455 /nfs/dbraw/zinc/12/34/55/849123455.db2.gz KDAKAGLXXPHNGC-WBVHZDCISA-N 2 0 367.519 0.976 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1 ZINC001131564522 849123699 /nfs/dbraw/zinc/12/36/99/849123699.db2.gz NAOVFJCPYXYRKI-SUMDDJOVSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131596925 849128686 /nfs/dbraw/zinc/12/86/86/849128686.db2.gz BEBZHCCXTJCSNI-QAPCUYQASA-N 2 0 354.495 0.189 20 0 FCADRP Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001148045680 849600753 /nfs/dbraw/zinc/60/07/53/849600753.db2.gz HGLZQAJJVLLSSK-UHFFFAOYSA-N 2 0 353.427 0.842 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ncnc2c1CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001157095132 849946436 /nfs/dbraw/zinc/94/64/36/849946436.db2.gz GTNQGPWKGQMKGU-LBPRGKRZSA-N 2 0 360.443 0.075 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cscn1)C(=O)N1CCCC1 ZINC001157369880 849966727 /nfs/dbraw/zinc/96/67/27/849966727.db2.gz YZYWTGDBXMYBLF-KBPBESRZSA-N 2 0 353.492 0.249 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716150 849988303 /nfs/dbraw/zinc/98/83/03/849988303.db2.gz LKRHKEMBHCBBKU-CVEARBPZSA-N 2 0 352.504 0.531 20 0 FCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC1 ZINC001157732392 849990099 /nfs/dbraw/zinc/99/00/99/849990099.db2.gz ZOVQZJARFYCFHV-CZUORRHYSA-N 2 0 350.442 0.209 20 0 FCADRP CNC(=O)c1cc(Cl)nc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)n1 ZINC001157847638 849999493 /nfs/dbraw/zinc/99/94/93/849999493.db2.gz DUSQXBGGPUFQIL-UHFFFAOYSA-N 2 0 366.897 0.953 20 0 FCADRP CCS(=O)(=O)N(c1nc(Cl)nc2c1CC[NH2+]C2)C1CC[NH2+]CC1 ZINC001157892285 850001852 /nfs/dbraw/zinc/00/18/52/850001852.db2.gz QLHXTFGLJUWBHA-UHFFFAOYSA-N 2 0 359.883 0.684 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001157916191 850004321 /nfs/dbraw/zinc/00/43/21/850004321.db2.gz NHXSEAWLHYJKAQ-UHFFFAOYSA-N 2 0 366.853 0.801 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032914 850014531 /nfs/dbraw/zinc/01/45/31/850014531.db2.gz XXUZIDLLKWNEMF-PKOBYXMFSA-N 3 0 351.539 0.509 20 0 FCADRP COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124141 850019859 /nfs/dbraw/zinc/01/98/59/850019859.db2.gz IUSIEMZSYINMDA-WCXIOVBPSA-N 2 0 357.495 0.026 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(=O)c(OC)co2)CC[N@@H+]1C ZINC001158411614 850047705 /nfs/dbraw/zinc/04/77/05/850047705.db2.gz IVWNABOEMSDIHB-LSDHHAIUSA-N 2 0 351.447 0.975 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001158403543 850048081 /nfs/dbraw/zinc/04/80/81/850048081.db2.gz JNHKMKSOOQMOSA-HRCADAONSA-N 2 0 359.536 0.637 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158423104 850048612 /nfs/dbraw/zinc/04/86/12/850048612.db2.gz NEEUZGCZBNZYPY-OAGGEKHMSA-N 2 0 362.499 0.326 20 0 FCADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544895 850059158 /nfs/dbraw/zinc/05/91/58/850059158.db2.gz DZBGUKBMFSIUQI-PBFPGSCMSA-N 2 0 363.487 0.146 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C[C@H]2CF)CC1 ZINC001158578197 850060075 /nfs/dbraw/zinc/06/00/75/850060075.db2.gz KUHIXMDSIASUGB-KBXIAJHMSA-N 2 0 352.454 0.265 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001158638209 850063152 /nfs/dbraw/zinc/06/31/52/850063152.db2.gz RYJPCBYSZUBQIO-WBMJQRKESA-N 2 0 351.838 0.507 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158890797 850083812 /nfs/dbraw/zinc/08/38/12/850083812.db2.gz NFZYPZUSPDKBFU-JDFRZJQESA-N 3 0 351.426 0.141 20 0 FCADRP Nc1ncn(C=C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397251 850110520 /nfs/dbraw/zinc/11/05/20/850110520.db2.gz QBWLHBQDKPLWQZ-QWHCGFSZSA-N 2 0 352.870 0.214 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834934 850139218 /nfs/dbraw/zinc/13/92/18/850139218.db2.gz WUHBQMZEWMRRGS-MELADBBJSA-N 3 0 369.560 0.585 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834268 850139346 /nfs/dbraw/zinc/13/93/46/850139346.db2.gz UNSPJDAMNIGGQN-ZNMIVQPWSA-N 2 0 350.488 0.944 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834273 850139452 /nfs/dbraw/zinc/13/94/52/850139452.db2.gz UODOINIOFYUXRN-ZBFHGGJFSA-N 2 0 363.531 0.908 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001160213777 850158856 /nfs/dbraw/zinc/15/88/56/850158856.db2.gz ZXKRWWFECTVYEH-MRXNPFEDSA-N 2 0 350.507 0.860 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160477917 850175349 /nfs/dbraw/zinc/17/53/49/850175349.db2.gz HQWSGMDQMNNICU-MRVPVSSYSA-N 2 0 352.386 0.272 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2c(Br)cnc2C1 ZINC001160546245 850180664 /nfs/dbraw/zinc/18/06/64/850180664.db2.gz XAHYRCYBVFUQTH-NSHDSACASA-N 2 0 368.279 0.862 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160630137 850186215 /nfs/dbraw/zinc/18/62/15/850186215.db2.gz WAJBHDOLONXSSQ-KRWDZBQOSA-N 3 0 357.543 0.352 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001160674170 850191588 /nfs/dbraw/zinc/19/15/88/850191588.db2.gz QZKAVLPWHFHCFX-INIZCTEOSA-N 2 0 354.495 0.333 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705396 850193921 /nfs/dbraw/zinc/19/39/21/850193921.db2.gz XJFABOHRWQUSOJ-QMHWVQJVSA-N 2 0 370.563 0.618 20 0 FCADRP CCc1noc([C@@H]2CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)n1 ZINC001160741690 850196477 /nfs/dbraw/zinc/19/64/77/850196477.db2.gz JKHWITPPPAIOPT-TZMCWYRMSA-N 2 0 350.467 0.088 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)CC[NH2+]1 ZINC001161016235 850220424 /nfs/dbraw/zinc/22/04/24/850220424.db2.gz UNVCERKODACCFQ-MFKMUULPSA-N 2 0 373.238 0.981 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001161082030 850227469 /nfs/dbraw/zinc/22/74/69/850227469.db2.gz NHIDPCLGQKKFIR-RWMBFGLXSA-N 2 0 364.412 0.715 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1c1ccc(F)cc1 ZINC001161084975 850227911 /nfs/dbraw/zinc/22/79/11/850227911.db2.gz LORARVADVHXJNN-PMPSAXMXSA-N 2 0 351.422 0.997 20 0 FCADRP [NH3+]CCN(CCNc1nc(Cl)cc(C2CC[NH2+]CC2)n1)N(O)N=O ZINC001161086780 850229352 /nfs/dbraw/zinc/22/93/52/850229352.db2.gz BCHZBUZJPQBVIB-UHFFFAOYSA-N 2 0 358.834 0.557 20 0 FCADRP CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219585 850239839 /nfs/dbraw/zinc/23/98/39/850239839.db2.gz RNRWYNNXXIMNMH-DLTWYDFYSA-N 2 0 362.499 0.040 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321789 850252311 /nfs/dbraw/zinc/25/23/11/850252311.db2.gz PGZRNTWTLGLYRJ-DZKIICNBSA-N 2 0 372.535 0.418 20 0 FCADRP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161340636 850253292 /nfs/dbraw/zinc/25/32/92/850253292.db2.gz RMDLGKBTAHXXNT-JYJNAYRXSA-N 3 0 353.511 0.034 20 0 FCADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382262 850256105 /nfs/dbraw/zinc/25/61/05/850256105.db2.gz WFAASWRQIBWBGB-SQNIBIBYSA-N 2 0 350.507 0.384 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161387248 850256741 /nfs/dbraw/zinc/25/67/41/850256741.db2.gz PGXXVCUIQRCYCS-CYBMUJFWSA-N 2 0 352.414 0.082 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424124 850257849 /nfs/dbraw/zinc/25/78/49/850257849.db2.gz ZGPILHACCUQFAB-ILXRZTDVSA-N 2 0 352.479 0.036 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550979 850271954 /nfs/dbraw/zinc/27/19/54/850271954.db2.gz XBPBLSGNXWCDRP-STQMWFEESA-N 2 0 374.576 0.269 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001161884264 850288137 /nfs/dbraw/zinc/28/81/37/850288137.db2.gz MTYOFIVSGDHUJI-KSZLIROESA-N 2 0 353.507 0.837 20 0 FCADRP CS(=O)(=O)N(CC[NH3+])c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001162131126 850298758 /nfs/dbraw/zinc/29/87/58/850298758.db2.gz PMHRTCCGLISCFZ-UHFFFAOYSA-N 2 0 355.464 0.285 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813653 862116090 /nfs/dbraw/zinc/11/60/90/862116090.db2.gz QZFTUNRONOZSLF-GOSISDBHSA-N 2 0 353.507 0.794 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167968359 850566601 /nfs/dbraw/zinc/56/66/01/850566601.db2.gz RBGDGMUFCVPKMG-AYHJJNSGSA-N 2 0 370.563 0.559 20 0 FCADRP CC1(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)CC[NH2+]CC1 ZINC001168184383 850574501 /nfs/dbraw/zinc/57/45/01/850574501.db2.gz YTIQMFDEXUQGNP-UHFFFAOYSA-N 2 0 353.492 0.717 20 0 FCADRP CC[NH+]1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001169254414 850609832 /nfs/dbraw/zinc/60/98/32/850609832.db2.gz VJFQHCLTQZGNCR-UHFFFAOYSA-N 2 0 355.508 0.275 20 0 FCADRP C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170110715 850645364 /nfs/dbraw/zinc/64/53/64/850645364.db2.gz ZYYMFKDFHNUCCS-ZWKOTPCHSA-N 2 0 362.511 0.806 20 0 FCADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170110711 850645680 /nfs/dbraw/zinc/64/56/80/850645680.db2.gz ZYYMFKDFHNUCCS-QZTJIDSGSA-N 2 0 362.511 0.806 20 0 FCADRP Cc1nc(N2CCOCC2)cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])[nH+]1 ZINC001170271037 850648973 /nfs/dbraw/zinc/64/89/73/850648973.db2.gz SANDYEWHWJVJRO-CPUCHLNUSA-N 2 0 351.451 0.758 20 0 FCADRP [NH3+]CCOCCOCCNc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001170510943 850656360 /nfs/dbraw/zinc/65/63/60/850656360.db2.gz HQBRVEULSCXQOI-UHFFFAOYSA-N 2 0 371.503 0.616 20 0 FCADRP CCOCC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001172424633 850710540 /nfs/dbraw/zinc/71/05/40/850710540.db2.gz FQQAMQOHJQVJQB-KRWDZBQOSA-N 2 0 354.539 0.972 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C(C)C)CC2)C[C@@H]1C(=O)OC ZINC001173567872 850728189 /nfs/dbraw/zinc/72/81/89/850728189.db2.gz LDEVAQHPPNFAFD-PHZGNYQRSA-N 2 0 355.479 0.343 20 0 FCADRP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C[C@@H]1C(=O)OC ZINC001173578848 850728560 /nfs/dbraw/zinc/72/85/60/850728560.db2.gz RPXFADZRQMQYQP-PSVAKVPMSA-N 2 0 362.477 0.611 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176692211 850797963 /nfs/dbraw/zinc/79/79/63/850797963.db2.gz WDZTYJFFMODMMX-SNVBAGLBSA-N 2 0 350.423 0.057 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731374 850920974 /nfs/dbraw/zinc/92/09/74/850920974.db2.gz TXLDIRXLWGESKD-WTTBNOFXSA-N 2 0 354.495 0.058 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178735858 850922066 /nfs/dbraw/zinc/92/20/66/850922066.db2.gz GLLDAZJZQRFJBP-QSPRXWTASA-N 2 0 350.507 0.822 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@]1(F)C[C@H]1C(=O)OCc1ccccc1 ZINC001178874797 850936803 /nfs/dbraw/zinc/93/68/03/850936803.db2.gz TXNUOQBLEDDEGW-GUYCJALGSA-N 2 0 350.394 0.919 20 0 FCADRP C[C@H](C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[NH+]1CCCC1 ZINC001180585129 851047655 /nfs/dbraw/zinc/04/76/55/851047655.db2.gz JRPINRPGIXZCTR-CQSZACIVSA-N 2 0 366.487 0.417 20 0 FCADRP COCCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC001180609771 851053011 /nfs/dbraw/zinc/05/30/11/851053011.db2.gz XWSJMFDZQZZMNN-UHFFFAOYSA-N 2 0 354.495 0.143 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001181516872 851116673 /nfs/dbraw/zinc/11/66/73/851116673.db2.gz BMCDZQDHTCQJIA-SFNKJDCFSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001181524993 851118109 /nfs/dbraw/zinc/11/81/09/851118109.db2.gz ADMCDMGLYOKWQO-YKTARERQSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)C2)CC[N@@H+]1C ZINC001182684002 851191614 /nfs/dbraw/zinc/19/16/14/851191614.db2.gz IUJNJLQDLCTPQG-IIAWOOMASA-N 2 0 364.515 0.895 20 0 FCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001186107847 851413065 /nfs/dbraw/zinc/41/30/65/851413065.db2.gz XZCPBFTZDBOJDO-HNNXBMFYSA-N 2 0 353.463 0.195 20 0 FCADRP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410000 851430513 /nfs/dbraw/zinc/43/05/13/851430513.db2.gz KINGOJWSYGJULJ-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP COCOCCC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278203977 862252098 /nfs/dbraw/zinc/25/20/98/862252098.db2.gz JIRISRPDWFACRH-GOSISDBHSA-N 2 0 356.511 0.215 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612132 851808470 /nfs/dbraw/zinc/80/84/70/851808470.db2.gz GDMNPKZGDRAPST-RCCFBDPRSA-N 2 0 353.507 0.647 20 0 FCADRP Cc1noc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794083 851824530 /nfs/dbraw/zinc/82/45/30/851824530.db2.gz NGTQCIHZIJRJSN-DOTOQJQBSA-N 2 0 350.463 0.902 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787047 851825428 /nfs/dbraw/zinc/82/54/28/851825428.db2.gz LMMMWRCJBXBYFN-YESZJQIVSA-N 2 0 350.507 0.728 20 0 FCADRP O=C(N1CC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189802058 851826117 /nfs/dbraw/zinc/82/61/17/851826117.db2.gz QCXLWMIMHSPRGT-BFHYXJOUSA-N 2 0 361.408 0.928 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820123 851828277 /nfs/dbraw/zinc/82/82/77/851828277.db2.gz QMCRAPLFGIGEFO-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001189890515 851837081 /nfs/dbraw/zinc/83/70/81/851837081.db2.gz FOMHHQTVAYGJBG-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001190237455 851881015 /nfs/dbraw/zinc/88/10/15/851881015.db2.gz CHGSFCMFARUWTP-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CCOCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237416 851881116 /nfs/dbraw/zinc/88/11/16/851881116.db2.gz BNVUXPLINBARCQ-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371414 851898963 /nfs/dbraw/zinc/89/89/63/851898963.db2.gz UNJVDSSDVYJAIC-JKSUJKDBSA-N 2 0 353.511 0.567 20 0 FCADRP CCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278430964 862326179 /nfs/dbraw/zinc/32/61/79/862326179.db2.gz PXFFOESQUCZNOL-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@H]2O)n1 ZINC001193066752 852349376 /nfs/dbraw/zinc/34/93/76/852349376.db2.gz HCKMINVAYZLZJY-HZPDHXFCSA-N 2 0 355.458 0.359 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001194400022 852592515 /nfs/dbraw/zinc/59/25/15/852592515.db2.gz YSBHTQQKNBASOV-BRWVUGGUSA-N 2 0 351.491 0.591 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)CCCC1 ZINC001195006517 852691936 /nfs/dbraw/zinc/69/19/36/852691936.db2.gz KKVQVLSDBKXZMP-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)CCCC1 ZINC001195006682 852692092 /nfs/dbraw/zinc/69/20/92/852692092.db2.gz MTHIDVGBDJSPSL-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001195677573 852811807 /nfs/dbraw/zinc/81/18/07/852811807.db2.gz STUXVEBMCHSTBA-IAGOWNOFSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O)C(C)C ZINC001197026002 853050327 /nfs/dbraw/zinc/05/03/27/853050327.db2.gz WKOATTVNDDUPJJ-ZACQAIPSSA-N 2 0 351.495 0.448 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN(Cc3ccsc3)C[C@H]2O)CC1 ZINC001197319344 853097350 /nfs/dbraw/zinc/09/73/50/853097350.db2.gz ANBAKKDUWHWTCN-HZPDHXFCSA-N 2 0 353.488 0.520 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2O)CC1 ZINC001197320075 853099399 /nfs/dbraw/zinc/09/93/99/853099399.db2.gz VDEPFBYOWWTWHK-QZTJIDSGSA-N 2 0 353.507 0.839 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC001198018395 853205026 /nfs/dbraw/zinc/20/50/26/853205026.db2.gz PIVXVZKIWNOBTO-UHFFFAOYSA-N 2 0 367.515 0.941 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001198729117 853307653 /nfs/dbraw/zinc/30/76/53/853307653.db2.gz AHXQQGUIOYLKJD-KZNAEPCWSA-N 2 0 353.507 0.983 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729192 853307758 /nfs/dbraw/zinc/30/77/58/853307758.db2.gz GRSJXZDPDZAXDE-IAGOWNOFSA-N 2 0 357.495 0.077 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199017734 853355262 /nfs/dbraw/zinc/35/52/62/853355262.db2.gz LHTCZAFZNASGEM-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001199057268 853361500 /nfs/dbraw/zinc/36/15/00/853361500.db2.gz FUNKJSLFLUDCRK-RCCFBDPRSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001199071021 853363499 /nfs/dbraw/zinc/36/34/99/853363499.db2.gz DBNYDJKGRDUQNO-BFHYXJOUSA-N 2 0 367.412 0.337 20 0 FCADRP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635789 853506364 /nfs/dbraw/zinc/50/63/64/853506364.db2.gz DCRNQLPGTXCJDB-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001200651684 853506991 /nfs/dbraw/zinc/50/69/91/853506991.db2.gz HNGFSKDOZCKXBN-RRQGHBQHSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200643427 853507187 /nfs/dbraw/zinc/50/71/87/853507187.db2.gz CKSSDXRKPMMAMF-BPQIPLTHSA-N 2 0 355.523 0.941 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001200651802 853507406 /nfs/dbraw/zinc/50/74/06/853507406.db2.gz MPENIUSLPKXEKX-JKSUJKDBSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001205334455 853603837 /nfs/dbraw/zinc/60/38/37/853603837.db2.gz NLNQFKIZGFUFCL-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205519463 853620312 /nfs/dbraw/zinc/62/03/12/853620312.db2.gz OOBQSVLDXDWTCL-YESZJQIVSA-N 2 0 353.507 0.647 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205645243 853625506 /nfs/dbraw/zinc/62/55/06/853625506.db2.gz XVSROCPMZHFBQV-GOEBONIOSA-N 2 0 350.438 0.537 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207396706 853808853 /nfs/dbraw/zinc/80/88/53/853808853.db2.gz QZTNVVSLOMLPIC-LJQANCHMSA-N 2 0 352.523 0.489 20 0 FCADRP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001207396388 853809146 /nfs/dbraw/zinc/80/91/46/853809146.db2.gz HELBGPGSKFCCAD-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001207758010 853855355 /nfs/dbraw/zinc/85/53/55/853855355.db2.gz ROSVDNHGXDMDEV-BZUAXINKSA-N 2 0 359.511 0.177 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163498 853902030 /nfs/dbraw/zinc/90/20/30/853902030.db2.gz HVLYGWOWZXTHIA-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP COC(C)(C)CC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001209402642 854023886 /nfs/dbraw/zinc/02/38/86/854023886.db2.gz HQNQSGSKQCSYSH-UHFFFAOYSA-N 2 0 354.539 0.972 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836674 854058126 /nfs/dbraw/zinc/05/81/26/854058126.db2.gz OZDZQIJGSDYNOT-NVXWUHKLSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297382 854097756 /nfs/dbraw/zinc/09/77/56/854097756.db2.gz FBMHEZANQKJQJX-BRWVUGGUSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297384 854097781 /nfs/dbraw/zinc/09/77/81/854097781.db2.gz FBMHEZANQKJQJX-IXDOHACOSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026259 854147326 /nfs/dbraw/zinc/14/73/26/854147326.db2.gz XUJAERJDXIQUDE-JHJVBQTASA-N 2 0 364.412 0.443 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495316 854501615 /nfs/dbraw/zinc/50/16/15/854501615.db2.gz BTXRSXNGFYXWRB-USXIJHARSA-N 2 0 350.463 0.758 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576709 854672054 /nfs/dbraw/zinc/67/20/54/854672054.db2.gz UCBFSUYZMBLONB-IAGOWNOFSA-N 2 0 357.495 0.341 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704923 854727154 /nfs/dbraw/zinc/72/71/54/854727154.db2.gz WJTUUCPWRZYBDW-QZTJIDSGSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930042 854830927 /nfs/dbraw/zinc/83/09/27/854830927.db2.gz WUCKJIVRYLSBLC-GVDBMIGSSA-N 2 0 359.511 0.176 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929707 854831222 /nfs/dbraw/zinc/83/12/22/854831222.db2.gz HYWFGGFBPWQUMP-ARFHVFGLSA-N 2 0 354.495 0.058 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214344059 854928326 /nfs/dbraw/zinc/92/83/26/854928326.db2.gz NGYOKMDNHRSSBL-JHJVBQTASA-N 2 0 351.476 0.612 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214662142 854988395 /nfs/dbraw/zinc/98/83/95/854988395.db2.gz VXJBVLPNKYCIBK-FDYHWXHSSA-N 2 0 364.412 0.442 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001214754827 855002692 /nfs/dbraw/zinc/00/26/92/855002692.db2.gz IHWMAWDDOCGOPC-RBSFLKMASA-N 2 0 357.474 0.128 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845491 855021948 /nfs/dbraw/zinc/02/19/48/855021948.db2.gz WKKDROJAASEZON-IXDOHACOSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214847787 855022090 /nfs/dbraw/zinc/02/20/90/855022090.db2.gz SJOQGWQHGICGOL-RBSFLKMASA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214855521 855022881 /nfs/dbraw/zinc/02/28/81/855022881.db2.gz FCVIYYJMLLGRAW-DJIMGWMZSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214947803 855038531 /nfs/dbraw/zinc/03/85/31/855038531.db2.gz FFAPHHLDVCMISV-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184752 855078992 /nfs/dbraw/zinc/07/89/92/855078992.db2.gz RSOGJDRBVSSHSH-QCZOYZIOSA-N 2 0 351.491 0.711 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215225956 855084689 /nfs/dbraw/zinc/08/46/89/855084689.db2.gz AIMFOQDNERGGCG-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001215458673 855117153 /nfs/dbraw/zinc/11/71/53/855117153.db2.gz DYQIZKJPSIEEHK-BFYDXBDKSA-N 2 0 353.463 0.545 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453601 855117419 /nfs/dbraw/zinc/11/74/19/855117419.db2.gz KDOTZSOQQXHDAL-BPQIPLTHSA-N 2 0 355.523 0.798 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474105 855119512 /nfs/dbraw/zinc/11/95/12/855119512.db2.gz LEFBSAGYOBPPTA-DJIMGWMZSA-N 2 0 356.511 0.162 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](CC)CC ZINC001215516673 855123737 /nfs/dbraw/zinc/12/37/37/855123737.db2.gz QDIPXXBRLQJAOS-KFWWJZLASA-N 2 0 362.540 0.093 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215536117 855126289 /nfs/dbraw/zinc/12/62/89/855126289.db2.gz JAPVEDTXZZPANY-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C)C1CC1 ZINC001215539918 855126367 /nfs/dbraw/zinc/12/63/67/855126367.db2.gz COCRPUUGUKJPSO-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861912 855151985 /nfs/dbraw/zinc/15/19/85/855151985.db2.gz QBRJSQUPNRENMW-BFYDXBDKSA-N 2 0 351.495 0.656 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001215998944 855163792 /nfs/dbraw/zinc/16/37/92/855163792.db2.gz IXYWTZAOTHFUPI-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001215998962 855164024 /nfs/dbraw/zinc/16/40/24/855164024.db2.gz JPSUXRODUOPWNS-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216002312 855164241 /nfs/dbraw/zinc/16/42/41/855164241.db2.gz RCVQMLIYCMKYSO-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216217241 855180351 /nfs/dbraw/zinc/18/03/51/855180351.db2.gz MHBWELLWVIFUEB-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216226169 855180462 /nfs/dbraw/zinc/18/04/62/855180462.db2.gz OMCAMMBTGYGOMQ-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409746 855200294 /nfs/dbraw/zinc/20/02/94/855200294.db2.gz MQDPGOGBOCUFSX-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216503337 855208080 /nfs/dbraw/zinc/20/80/80/855208080.db2.gz PPTMGJLFNJEBOU-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216511226 855209782 /nfs/dbraw/zinc/20/97/82/855209782.db2.gz NHKJEWLKKANZPY-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001216752555 855231803 /nfs/dbraw/zinc/23/18/03/855231803.db2.gz TXOFXCIELDFCGJ-IIAWOOMASA-N 2 0 364.515 0.753 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001216754165 855232410 /nfs/dbraw/zinc/23/24/10/855232410.db2.gz JRVBJELGPYITEF-KWCYVHTRSA-N 2 0 365.503 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216754306 855232731 /nfs/dbraw/zinc/23/27/31/855232731.db2.gz OSOWSCGVFDXOQB-CHWSQXEVSA-N 2 0 351.476 0.614 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001216772460 855236847 /nfs/dbraw/zinc/23/68/47/855236847.db2.gz CCVSCXMHHMOTGQ-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216835997 855253502 /nfs/dbraw/zinc/25/35/02/855253502.db2.gz RKMHJUKKQBCEMU-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218183804 855405219 /nfs/dbraw/zinc/40/52/19/855405219.db2.gz DMVSHZZZFORUBB-JGPRNRPPSA-N 2 0 350.419 0.423 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218446385 855426925 /nfs/dbraw/zinc/42/69/25/855426925.db2.gz ACLQRZLHTWINEO-QMMMGPOBSA-N 2 0 360.361 0.137 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532764 855435531 /nfs/dbraw/zinc/43/55/31/855435531.db2.gz HUVUXZGPNPDRPB-UWVGGRQHSA-N 2 0 369.491 0.156 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001218550883 855438811 /nfs/dbraw/zinc/43/88/11/855438811.db2.gz RUWYTIAXPKIXIW-IXDOHACOSA-N 2 0 351.491 0.666 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1[nH]nc2ncc(Br)cc21 ZINC001218564929 855440821 /nfs/dbraw/zinc/44/08/21/855440821.db2.gz MGJDOUJQJKAUIA-QMMMGPOBSA-N 2 0 359.253 0.678 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ncnn2c(Br)ccc12 ZINC001218567652 855441168 /nfs/dbraw/zinc/44/11/68/855441168.db2.gz TWEYLDOWHCJAKP-VIFPVBQESA-N 2 0 355.240 0.699 20 0 FCADRP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218571291 855441668 /nfs/dbraw/zinc/44/16/68/855441668.db2.gz DYAZIZFEZNXOTK-NSHDSACASA-N 2 0 352.870 0.944 20 0 FCADRP Nc1ncc(Cl)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218652784 855458464 /nfs/dbraw/zinc/45/84/64/855458464.db2.gz PXZRWVLZFRUUID-UWVGGRQHSA-N 2 0 369.857 0.098 20 0 FCADRP Cc1cnn(C2CCOCC2)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218741830 855473199 /nfs/dbraw/zinc/47/31/99/855473199.db2.gz RJCNHXYWPWEELW-OAHLLOKOSA-N 2 0 350.467 0.232 20 0 FCADRP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218854388 855486489 /nfs/dbraw/zinc/48/64/89/855486489.db2.gz XXEIYLDWEXPNEW-LBPRGKRZSA-N 2 0 353.444 0.236 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC1 ZINC001218861305 855487571 /nfs/dbraw/zinc/48/75/71/855487571.db2.gz JGDMXXXZDYOUDG-RKNYENMMSA-N 2 0 356.467 0.612 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(C(=O)OC)cccc1C(=O)OC ZINC001218932932 855498247 /nfs/dbraw/zinc/49/82/47/855498247.db2.gz UUHMGWKRFBPJSU-ZDUSSCGKSA-N 2 0 351.403 0.915 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]21 ZINC001218970890 855505295 /nfs/dbraw/zinc/50/52/95/855505295.db2.gz NJHKJZCBORCAAR-DLBZAZTESA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970924 855505553 /nfs/dbraw/zinc/50/55/53/855505553.db2.gz OMPMYDFBKZOAMC-DLBZAZTESA-N 2 0 357.495 0.291 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049452 855525511 /nfs/dbraw/zinc/52/55/11/855525511.db2.gz NZJREAQDWOVUTP-FGTMMUONSA-N 2 0 353.507 0.935 20 0 FCADRP C[C@]([NH3+])(CO)C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190359 855579655 /nfs/dbraw/zinc/57/96/55/855579655.db2.gz ITJKOCGGKXBPAN-HNNXBMFYSA-N 2 0 360.380 0.759 20 0 FCADRP C[C@@H](O)[C@H]([NH3+])C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190386 855579705 /nfs/dbraw/zinc/57/97/05/855579705.db2.gz KDBWNWKXQBDESP-YGRLFVJLSA-N 2 0 360.380 0.757 20 0 FCADRP COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1OCCCN1CC[NH+](C)CC1 ZINC001219315378 855628660 /nfs/dbraw/zinc/62/86/60/855628660.db2.gz XKUZTMAMWMKTRN-CQSZACIVSA-N 2 0 350.463 0.997 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1ccc(Br)c2c1C(=O)NC2)C1CC[NH2+]CC1 ZINC001219446897 855674146 /nfs/dbraw/zinc/67/41/46/855674146.db2.gz ZNZVJHONBWUVFK-CYBMUJFWSA-N 2 0 367.247 0.958 20 0 FCADRP COC(=O)NC(=S)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1N ZINC001219550361 855709746 /nfs/dbraw/zinc/70/97/46/855709746.db2.gz XVLYJAOLMOLPAM-JTQLQIEISA-N 2 0 363.443 0.052 20 0 FCADRP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219652306 855756058 /nfs/dbraw/zinc/75/60/58/855756058.db2.gz PRTANFZTCKVJBF-KSZLIROESA-N 2 0 353.507 0.552 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001219714217 855782930 /nfs/dbraw/zinc/78/29/30/855782930.db2.gz ILRFEHXNRBWZEZ-ZIAGYGMSSA-N 2 0 357.376 0.776 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743772 855795034 /nfs/dbraw/zinc/79/50/34/855795034.db2.gz LRQUMHAMCDEIAL-KGLIPLIRSA-N 2 0 355.479 0.724 20 0 FCADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765812 855804171 /nfs/dbraw/zinc/80/41/71/855804171.db2.gz CYMDAHMSDCRUDS-PVAVHDDUSA-N 2 0 350.894 0.880 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809703 855826967 /nfs/dbraw/zinc/82/69/67/855826967.db2.gz QZOQDPXLLMQKHV-ZDUSSCGKSA-N 2 0 350.419 0.530 20 0 FCADRP CC1CC(C[N@H+]2C[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001219878019 855858939 /nfs/dbraw/zinc/85/89/39/855858939.db2.gz WEPQGXRBCXXZTF-BACDZXNISA-N 2 0 353.507 0.552 20 0 FCADRP C[NH+](C)CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219921798 855880033 /nfs/dbraw/zinc/88/00/33/855880033.db2.gz YPNQISPQICSWSC-HOTGVXAUSA-N 3 0 355.527 0.282 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CC1 ZINC001219944391 855891295 /nfs/dbraw/zinc/89/12/95/855891295.db2.gz YSBHTQQKNBASOV-IXDOHACOSA-N 2 0 351.491 0.591 20 0 FCADRP COc1ccc(O[C@H](C)CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219947874 855892495 /nfs/dbraw/zinc/89/24/95/855892495.db2.gz GKHZVHFGYZPJLC-CXAGYDPISA-N 2 0 350.463 0.329 20 0 FCADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001219954364 855895037 /nfs/dbraw/zinc/89/50/37/855895037.db2.gz HJXXOGUJAMQGSD-OAHLLOKOSA-N 2 0 357.520 0.391 20 0 FCADRP Cc1nn(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C)c1Br ZINC001219997305 855911330 /nfs/dbraw/zinc/91/13/30/855911330.db2.gz RKEVPBYCTFJYOL-NSHDSACASA-N 2 0 356.268 0.188 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001219999452 855912174 /nfs/dbraw/zinc/91/21/74/855912174.db2.gz UDTLSWRBOQWFDE-LBPRGKRZSA-N 2 0 370.247 0.860 20 0 FCADRP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034548 855928531 /nfs/dbraw/zinc/92/85/31/855928531.db2.gz TYYOPBHLPDXLTJ-ASLPWWTFSA-N 2 0 351.491 0.591 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CCC([NH3+])CC1 ZINC001220039942 855929577 /nfs/dbraw/zinc/92/95/77/855929577.db2.gz ZBQMJYHGJOTWBO-AJSNELNMSA-N 2 0 352.479 0.036 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCC([NH3+])CC1 ZINC001220039530 855929603 /nfs/dbraw/zinc/92/96/03/855929603.db2.gz IRPYMPSRLNYDKQ-FVRSWCFKSA-N 3 0 356.511 0.931 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CCC([NH3+])CC1 ZINC001220039943 855929737 /nfs/dbraw/zinc/92/97/37/855929737.db2.gz ZBQMJYHGJOTWBO-KUPSXRCWSA-N 2 0 352.479 0.036 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC(=N)SCC[NH3+] ZINC001220106142 855963711 /nfs/dbraw/zinc/96/37/11/855963711.db2.gz CCRGWVNZWAXKLQ-DCAQKATOSA-N 2 0 363.553 0.341 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161971 855988311 /nfs/dbraw/zinc/98/83/11/855988311.db2.gz HBLPXKHUJRIUOF-NUJGCVRESA-N 3 0 350.507 0.478 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220220958 856017658 /nfs/dbraw/zinc/01/76/58/856017658.db2.gz LVJBHDQIMWRZDH-KKUMJFAQSA-N 2 0 357.520 0.390 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316377 856061269 /nfs/dbraw/zinc/06/12/69/856061269.db2.gz OULJLPBOGQHOJF-QIIPPGSGSA-N 2 0 353.463 0.607 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1 ZINC001220369226 856087865 /nfs/dbraw/zinc/08/78/65/856087865.db2.gz CNFOOOKIDKKRNA-BACDZXNISA-N 2 0 355.523 0.941 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369901 856089384 /nfs/dbraw/zinc/08/93/84/856089384.db2.gz XBGPCLAZUWSGCY-SJORKVTESA-N 2 0 355.523 0.942 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369858 856089653 /nfs/dbraw/zinc/08/96/53/856089653.db2.gz VFRVSYLRARWKTR-OAGGEKHMSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)O1 ZINC001220481554 856147787 /nfs/dbraw/zinc/14/77/87/856147787.db2.gz KIEOKPAFEKGUCO-JXFSHQFZSA-N 2 0 359.467 0.277 20 0 FCADRP C[C@]1(C(=O)N[C@@H](C[NH3+])c2ccc(Br)cc2)CC[NH2+]C[C@H]1O ZINC001220608865 856204846 /nfs/dbraw/zinc/20/48/46/856204846.db2.gz ZHMPEUUIVXOENP-GUTXKFCHSA-N 2 0 356.264 0.926 20 0 FCADRP [NH3+]C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC001220611525 856206696 /nfs/dbraw/zinc/20/66/96/856206696.db2.gz XKAKUDVEQISHHV-STQMWFEESA-N 2 0 369.263 0.433 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2O)CC1 ZINC001220637745 856215288 /nfs/dbraw/zinc/21/52/88/856215288.db2.gz KGSAHMSCULUDAG-MSOLQXFVSA-N 2 0 353.507 0.839 20 0 FCADRP CS(=O)(=O)c1ccccc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220682683 856240849 /nfs/dbraw/zinc/24/08/49/856240849.db2.gz GTGRUHAZTQWTRX-CQSZACIVSA-N 2 0 351.472 0.581 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)COC1(C)C ZINC001220716471 856259895 /nfs/dbraw/zinc/25/98/95/856259895.db2.gz IOAUNZQKVRTXHP-LXFSFDBISA-N 2 0 352.479 0.429 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728746 856266722 /nfs/dbraw/zinc/26/67/22/856266722.db2.gz YTTYECPXQQXODS-MSOLQXFVSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC001220768561 856289140 /nfs/dbraw/zinc/28/91/40/856289140.db2.gz RDGHIMDXSQJNIL-KFWWJZLASA-N 2 0 363.449 0.551 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1O ZINC001220768562 856290844 /nfs/dbraw/zinc/29/08/44/856290844.db2.gz RDGHIMDXSQJNIL-ZNMIVQPWSA-N 2 0 363.449 0.551 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806442 856309361 /nfs/dbraw/zinc/30/93/61/856309361.db2.gz CPFRFNATOVVPJZ-CABCVRRESA-N 2 0 354.520 0.887 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859942 856342297 /nfs/dbraw/zinc/34/22/97/856342297.db2.gz UEGGQKGZTQTMIU-IHRRRGAJSA-N 2 0 356.511 0.609 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220869764 856348879 /nfs/dbraw/zinc/34/88/79/856348879.db2.gz BNUMQQLQLIPFEB-ZDUSSCGKSA-N 3 0 372.311 0.809 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898320 856362988 /nfs/dbraw/zinc/36/29/88/856362988.db2.gz FRUPJBDKSWWOJQ-INIZCTEOSA-N 3 0 353.511 0.036 20 0 FCADRP [NH3+]CCN(CCNC(=O)C[C@@H]([NH3+])CSc1ccccc1)N(O)N=O ZINC001220903375 856366276 /nfs/dbraw/zinc/36/62/76/856366276.db2.gz RXMLGLFGLFSOJC-GFCCVEGCSA-N 2 0 356.452 0.161 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220908993 856368833 /nfs/dbraw/zinc/36/88/33/856368833.db2.gz GLZUJOVCJBEIJG-INIZCTEOSA-N 2 0 353.511 0.936 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001220985775 856407705 /nfs/dbraw/zinc/40/77/05/856407705.db2.gz FQZGOABECRKLNV-YUELXQCFSA-N 2 0 361.433 0.161 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220985756 856407810 /nfs/dbraw/zinc/40/78/10/856407810.db2.gz DXRKBYNHSXEXNP-BBWFWOEESA-N 2 0 355.523 0.942 20 0 FCADRP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986022 856409030 /nfs/dbraw/zinc/40/90/30/856409030.db2.gz ORUQNNHSXZHVMC-UWBQZYMWSA-N 2 0 353.507 0.862 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220994611 856413608 /nfs/dbraw/zinc/41/36/08/856413608.db2.gz YWZXSJZEAKPDGO-KURKYZTESA-N 2 0 353.507 0.840 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148632 856484456 /nfs/dbraw/zinc/48/44/56/856484456.db2.gz IZWNKULBABEOFS-CZUORRHYSA-N 2 0 366.487 0.321 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001221158595 856490258 /nfs/dbraw/zinc/49/02/58/856490258.db2.gz NUTTVBYMQTWULQ-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CCOCC1 ZINC001221181820 856501860 /nfs/dbraw/zinc/50/18/60/856501860.db2.gz TXJNYOIBGFDJOC-KRWDZBQOSA-N 2 0 352.523 0.840 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CCOCC1 ZINC001221181821 856502166 /nfs/dbraw/zinc/50/21/66/856502166.db2.gz TXJNYOIBGFDJOC-QGZVFWFLSA-N 2 0 352.523 0.840 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)COC1(C)C ZINC001221250729 856528740 /nfs/dbraw/zinc/52/87/40/856528740.db2.gz WWZNHZCIRXELFC-XAYKYTGQSA-N 2 0 352.479 0.336 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)c1ccccc1 ZINC001221272172 856534627 /nfs/dbraw/zinc/53/46/27/856534627.db2.gz XXUHBZSPLJGMEB-HRCUUXTESA-N 2 0 362.458 0.600 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367309 856555474 /nfs/dbraw/zinc/55/54/74/856555474.db2.gz PMZMMGPHOINMPD-VJTDZRGJSA-N 2 0 362.515 0.414 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221883828 856723075 /nfs/dbraw/zinc/72/30/75/856723075.db2.gz VZPHCBQKIJFVTI-IAGOWNOFSA-N 2 0 354.495 0.014 20 0 FCADRP CO[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001221950778 856745777 /nfs/dbraw/zinc/74/57/77/856745777.db2.gz XVOZTEBXCXPKCN-KURKYZTESA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCOCC3CCC3)C[C@H]21 ZINC001221950770 856745796 /nfs/dbraw/zinc/74/57/96/856745796.db2.gz XGEZYCYRVIRDRK-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222694036 856866314 /nfs/dbraw/zinc/86/63/14/856866314.db2.gz MKTXFZWUYJQIRN-KURKYZTESA-N 2 0 351.491 0.260 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222922352 856883492 /nfs/dbraw/zinc/88/34/92/856883492.db2.gz WBVFYCLIJLEYMT-SQNIBIBYSA-N 2 0 353.507 0.793 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001222929019 856883576 /nfs/dbraw/zinc/88/35/76/856883576.db2.gz AJBFXZABOVALJN-RYRKJORJSA-N 2 0 352.523 0.974 20 0 FCADRP CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223247026 856905848 /nfs/dbraw/zinc/90/58/48/856905848.db2.gz ZMJVLDKTCUPOJN-SJORKVTESA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430999 856917169 /nfs/dbraw/zinc/91/71/69/856917169.db2.gz TXTYRNVZGJEWQY-CVEARBPZSA-N 2 0 353.511 0.569 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC[NH+](CCOCC3CC3)CC2)O1 ZINC001223570902 856926176 /nfs/dbraw/zinc/92/61/76/856926176.db2.gz UDOVTRDHAAJYNU-CRAIPNDOSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223985219 856954375 /nfs/dbraw/zinc/95/43/75/856954375.db2.gz UHEWJSCAQYMCLW-CVEARBPZSA-N 2 0 351.495 0.276 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226891914 857130269 /nfs/dbraw/zinc/13/02/69/857130269.db2.gz WKBMOFWLEZXODQ-MGPQQGTHSA-N 2 0 353.467 0.073 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001227066025 857139193 /nfs/dbraw/zinc/13/91/93/857139193.db2.gz VRAMKQVQWAQEOO-RRFJBIMHSA-N 2 0 354.495 0.236 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227083775 857140355 /nfs/dbraw/zinc/14/03/55/857140355.db2.gz XRZVJEJNHSFFGR-KFWWJZLASA-N 2 0 360.524 0.037 20 0 FCADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)[N@H+]1CCO ZINC001227997015 857188343 /nfs/dbraw/zinc/18/83/43/857188343.db2.gz HIDXFBCIMGXZFQ-CALCHBBNSA-N 2 0 355.527 0.111 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001228238951 857198145 /nfs/dbraw/zinc/19/81/45/857198145.db2.gz KRIAYEACNKLOOQ-MCIONIFRSA-N 2 0 350.463 0.150 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001228254835 857198254 /nfs/dbraw/zinc/19/82/54/857198254.db2.gz KSGRXYNMUWINMG-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229232314 857259513 /nfs/dbraw/zinc/25/95/13/857259513.db2.gz ZUUADNKAXGPUAN-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717717 857284308 /nfs/dbraw/zinc/28/43/08/857284308.db2.gz WGSGIDSBUIINHY-HUUCEWRRSA-N 2 0 357.520 0.534 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229725044 857284368 /nfs/dbraw/zinc/28/43/68/857284368.db2.gz WQILIMCWFJLEBH-FVQBIDKESA-N 2 0 350.463 0.786 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001230141865 857306756 /nfs/dbraw/zinc/30/67/56/857306756.db2.gz WAPYDQFBUXCKQL-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147879 857308335 /nfs/dbraw/zinc/30/83/35/857308335.db2.gz VBUHMNQSQAFPBG-HZPDHXFCSA-N 2 0 359.536 0.924 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284465 857322808 /nfs/dbraw/zinc/32/28/08/857322808.db2.gz GLHBEFKADAERHT-ZIAGYGMSSA-N 2 0 355.483 0.189 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279474377 862904008 /nfs/dbraw/zinc/90/40/08/862904008.db2.gz NCIPTWVWSBYYJI-IEBWSBKVSA-N 2 0 352.523 0.774 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235273564 857421231 /nfs/dbraw/zinc/42/12/31/857421231.db2.gz LQKOKPYATWDLOS-TUKIKUTGSA-N 2 0 365.396 0.728 20 0 FCADRP COCCN1[C@]2(CC[N@H+](CCCC[NH3+])C2)c2ccccc2S1(=O)=O ZINC001235575324 857428867 /nfs/dbraw/zinc/42/88/67/857428867.db2.gz SEZUCDKBOHCQCH-KRWDZBQOSA-N 2 0 353.488 0.977 20 0 FCADRP Cc1nc(Cl)c(CCN2CC[NH2+]CCNCC[NH2+]CC2)c(Cl)n1 ZINC001235869080 857432753 /nfs/dbraw/zinc/43/27/53/857432753.db2.gz JMLFWZIBZVBVKV-UHFFFAOYSA-N 2 0 361.321 0.719 20 0 FCADRP Cc1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1Br ZINC001235871601 857433502 /nfs/dbraw/zinc/43/35/02/857433502.db2.gz WVSPIWVGRVRFCM-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP Nc1c(Br)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870062 857433547 /nfs/dbraw/zinc/43/35/47/857433547.db2.gz HKFIIQLUAXQQOC-UHFFFAOYSA-N 2 0 356.312 0.616 20 0 FCADRP COC(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Cl)c1 ZINC001235870650 857433649 /nfs/dbraw/zinc/43/36/49/857433649.db2.gz LBZDHHLLMIJGPJ-UHFFFAOYSA-N 2 0 354.882 0.711 20 0 FCADRP Oc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1Br ZINC001235874564 857434430 /nfs/dbraw/zinc/43/44/30/857434430.db2.gz SIKMQHHGNPXNBN-UHFFFAOYSA-N 2 0 357.296 0.739 20 0 FCADRP COc1cc(C)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236308031 857438263 /nfs/dbraw/zinc/43/82/63/857438263.db2.gz FLSMQABKKRPRNB-UHFFFAOYSA-N 2 0 352.479 0.628 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(O)c1Br ZINC001236310592 857439072 /nfs/dbraw/zinc/43/90/72/857439072.db2.gz IFGUJRBJRZQHCC-UHFFFAOYSA-N 2 0 373.295 0.771 20 0 FCADRP CCOc1c(F)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1F ZINC001236311036 857439100 /nfs/dbraw/zinc/43/91/00/857439100.db2.gz OUIURRSCGONGPF-UHFFFAOYSA-N 2 0 358.433 0.979 20 0 FCADRP CCOc1ccc(OC)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312637 857439619 /nfs/dbraw/zinc/43/96/19/857439619.db2.gz WAXIWBWZUATUDU-UHFFFAOYSA-N 2 0 352.479 0.710 20 0 FCADRP O=S(=O)(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001238201492 857464044 /nfs/dbraw/zinc/46/40/44/857464044.db2.gz GMOILHGBILZASJ-ZFWWWQNUSA-N 2 0 351.472 0.914 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2c(c1)CCO2 ZINC001238243336 857464742 /nfs/dbraw/zinc/46/47/42/857464742.db2.gz TUUFGDQNRMGUBU-CQSZACIVSA-N 2 0 351.472 0.774 20 0 FCADRP COc1cccc(CS(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238244287 857466339 /nfs/dbraw/zinc/46/63/39/857466339.db2.gz ZROVKUDNXZRVFW-OAHLLOKOSA-N 2 0 353.488 0.989 20 0 FCADRP COC(=O)CCc1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001238879837 857485560 /nfs/dbraw/zinc/48/55/60/857485560.db2.gz XFYHWOSYJSTSAD-UHFFFAOYSA-N 2 0 357.476 0.399 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1Cl ZINC001238878604 857485685 /nfs/dbraw/zinc/48/56/85/857485685.db2.gz INWFPMGMYYPSBD-UHFFFAOYSA-N 2 0 362.883 0.905 20 0 FCADRP COC(=O)c1ccc(OC)c(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001238878985 857485797 /nfs/dbraw/zinc/48/57/97/857485797.db2.gz FVDLSOXKNJFTHX-UHFFFAOYSA-N 2 0 373.475 0.479 20 0 FCADRP COc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1Br ZINC001239097142 857512559 /nfs/dbraw/zinc/51/25/59/857512559.db2.gz PKQYKKBFNHVGOX-UHFFFAOYSA-N 2 0 352.254 0.366 20 0 FCADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239097983 857513612 /nfs/dbraw/zinc/51/36/12/857513612.db2.gz UORCGTNBDRSACH-QGZVFWFLSA-N 2 0 359.536 0.891 20 0 FCADRP CC(C)c1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239130554 857517692 /nfs/dbraw/zinc/51/76/92/857517692.db2.gz CQPSUYYWXBPYML-UHFFFAOYSA-N 2 0 370.519 0.615 20 0 FCADRP COc1ccc(CNC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239294933 857525664 /nfs/dbraw/zinc/52/56/64/857525664.db2.gz DMPFJOPIJYEIAV-UHFFFAOYSA-N 2 0 351.451 0.021 20 0 FCADRP COc1ccc(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1Cl ZINC001239297982 857526330 /nfs/dbraw/zinc/52/63/30/857526330.db2.gz WCPOSCNBCPZNJN-UHFFFAOYSA-N 2 0 371.869 0.996 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)Nc1ccc(F)cc1F ZINC001239451248 857529583 /nfs/dbraw/zinc/52/95/83/857529583.db2.gz JZMSHBVBMUELJO-UHFFFAOYSA-N 2 0 359.446 0.777 20 0 FCADRP C[C@H](NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1ccccc1 ZINC001239451008 857529697 /nfs/dbraw/zinc/52/96/97/857529697.db2.gz JBFPQOADUUMKFZ-AWEZNQCLSA-N 2 0 351.520 0.738 20 0 FCADRP CC(=O)c1ccc(NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239453859 857529814 /nfs/dbraw/zinc/52/98/14/857529814.db2.gz ZLWNTKFUFVRMDG-UHFFFAOYSA-N 2 0 365.503 0.702 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCc1cccc(Cl)c1 ZINC001239453826 857529891 /nfs/dbraw/zinc/52/98/91/857529891.db2.gz YPIXUYVSCAFXMI-UHFFFAOYSA-N 2 0 371.938 0.830 20 0 FCADRP O[C@H](CNc1c(F)cccc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245973465 857561624 /nfs/dbraw/zinc/56/16/24/857561624.db2.gz LMISWIWISWKNRW-AWEZNQCLSA-N 2 0 352.454 0.513 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001245978173 857561889 /nfs/dbraw/zinc/56/18/89/857561889.db2.gz JYILBSNHUCOSCC-IHXXTUNLSA-N 3 0 355.429 0.552 20 0 FCADRP O[C@H](CNc1cccc(F)c1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245967284 857562184 /nfs/dbraw/zinc/56/21/84/857562184.db2.gz AVAOBHYNMHDJJV-AWEZNQCLSA-N 2 0 352.454 0.513 20 0 FCADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245985872 857562636 /nfs/dbraw/zinc/56/26/36/857562636.db2.gz TXYPEXFZLKKJQZ-GJZGRUSLSA-N 2 0 359.511 0.281 20 0 FCADRP CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020058 857564168 /nfs/dbraw/zinc/56/41/68/857564168.db2.gz HCQOGJXPFCTFHI-XIRDDKMYSA-N 2 0 350.459 0.753 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@]1(O)CCC[NH2+]C1)C2 ZINC001246034342 857566276 /nfs/dbraw/zinc/56/62/76/857566276.db2.gz QAJLDIMWFISDLU-ZNMIVQPWSA-N 2 0 365.396 0.118 20 0 FCADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C2CCOCC2)CC1 ZINC001246071925 857568360 /nfs/dbraw/zinc/56/83/60/857568360.db2.gz WANBFQMKMYNIMB-BQFCYCMXSA-N 3 0 355.523 0.603 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CCOC4(CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246259095 857571091 /nfs/dbraw/zinc/57/10/91/857571091.db2.gz ZCBPWUHCZJTXNW-LHJGCZIBSA-N 3 0 351.491 0.949 20 0 FCADRP O=C([C@@H]1C[C@H](NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)C[NH2+]1)N1CCSC1 ZINC001246338273 857573667 /nfs/dbraw/zinc/57/36/67/857573667.db2.gz FAAPNLQBYKMTDY-LTIDMASMSA-N 2 0 361.515 0.585 20 0 FCADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001246315362 857574403 /nfs/dbraw/zinc/57/44/03/857574403.db2.gz SZOSBZNXOFWKBK-STQMWFEESA-N 2 0 350.467 0.319 20 0 FCADRP O=S1(=O)CCC(Cc2cccnc2)([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246391859 857575967 /nfs/dbraw/zinc/57/59/67/857575967.db2.gz PKXCZRWJMFBKJV-INIZCTEOSA-N 2 0 364.515 0.255 20 0 FCADRP COC(=O)CC1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246368268 857576461 /nfs/dbraw/zinc/57/64/61/857576461.db2.gz WXDCCYCFGPRZLU-HFDVOGEKSA-N 2 0 353.463 0.334 20 0 FCADRP CCC(CC)[C@@H]([NH2+][C@H]1CCCN(C)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410486 857577605 /nfs/dbraw/zinc/57/76/05/857577605.db2.gz HLTFPKIUEBRCAF-DWMDIXPDSA-N 2 0 355.523 0.972 20 0 FCADRP O=S1(=O)CCN(c2cc[nH+]c(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC001246436243 857579681 /nfs/dbraw/zinc/57/96/81/857579681.db2.gz IACFKBZGYRQSHU-YIONKMFJSA-N 2 0 350.488 0.689 20 0 FCADRP CC(C)(C)OC(=O)CCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246465592 857581755 /nfs/dbraw/zinc/58/17/55/857581755.db2.gz IKAHRPWZSGLCDT-HNNXBMFYSA-N 2 0 357.495 0.435 20 0 FCADRP C[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[NH2+]1 ZINC001246729502 857593365 /nfs/dbraw/zinc/59/33/65/857593365.db2.gz ORBXSHRGPQMMCC-DLBZAZTESA-N 2 0 351.539 0.297 20 0 FCADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733746 857594817 /nfs/dbraw/zinc/59/48/17/857594817.db2.gz BIPSFARUDNUWQU-VXNCWWDNSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736219 857595684 /nfs/dbraw/zinc/59/56/84/857595684.db2.gz KFGVIRQORGSYNU-MTNOOBJLSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@H]1CC[C@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754180 857598587 /nfs/dbraw/zinc/59/85/87/857598587.db2.gz SSAMNRAJZUURBX-IRXDYDNUSA-N 2 0 352.523 0.630 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2Cc2ccccc2)C[NH2+]1)N1CCSC1 ZINC001246832246 857601741 /nfs/dbraw/zinc/60/17/41/857601741.db2.gz FWLWAHRGHQSRLK-BZSNNMDCSA-N 2 0 360.527 0.766 20 0 FCADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940755 857606521 /nfs/dbraw/zinc/60/65/21/857606521.db2.gz VAUAQBZMLHLHFG-RDJZCZTQSA-N 3 0 350.507 0.430 20 0 FCADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940756 857606531 /nfs/dbraw/zinc/60/65/31/857606531.db2.gz VAUAQBZMLHLHFG-WBVHZDCISA-N 3 0 350.507 0.430 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CN1 ZINC001247010943 857609617 /nfs/dbraw/zinc/60/96/17/857609617.db2.gz WWZHPJCDFUXBER-KKUMJFAQSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CC[C@@H](C(=O)OCC)NC2)CCC12C[NH2+]C2 ZINC001247010942 857609892 /nfs/dbraw/zinc/60/98/92/857609892.db2.gz WWZHPJCDFUXBER-KFWWJZLASA-N 2 0 353.463 0.145 20 0 FCADRP COc1ccc(Br)c(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)n1 ZINC001247849409 857617709 /nfs/dbraw/zinc/61/77/09/857617709.db2.gz CWJRTXZLFNDWGQ-UHFFFAOYSA-N 2 0 366.219 0.963 20 0 FCADRP O[C@H](CN1CCOCC1)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001251003527 857677219 /nfs/dbraw/zinc/67/72/19/857677219.db2.gz MGEOMMKHIBCFBI-IBGZPJMESA-N 2 0 355.523 0.504 20 0 FCADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1)CN1CCOCC1 ZINC001251043181 857689452 /nfs/dbraw/zinc/68/94/52/857689452.db2.gz MRMNBPNPBSVMIF-IBGZPJMESA-N 2 0 355.523 0.408 20 0 FCADRP CC(C)OC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252675873 857830988 /nfs/dbraw/zinc/83/09/88/857830988.db2.gz JMJHXDCCWFSOLU-KRWDZBQOSA-N 2 0 351.491 0.596 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001253389331 857884865 /nfs/dbraw/zinc/88/48/65/857884865.db2.gz ZNFXTOAYMYXFHX-QBPKDAKJSA-N 2 0 353.507 0.552 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C[C@H]1C(=O)OC ZINC001257732633 858158282 /nfs/dbraw/zinc/15/82/82/858158282.db2.gz FSDJHRCDZVILQM-ARFHVFGLSA-N 2 0 355.479 0.297 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H](N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257741497 858158719 /nfs/dbraw/zinc/15/87/19/858158719.db2.gz UNAYCWRYYHIOFB-BZUAXINKSA-N 2 0 357.495 0.543 20 0 FCADRP COC(=O)CC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370970 858194428 /nfs/dbraw/zinc/19/44/28/858194428.db2.gz LIBQGVKBINKPLK-BZUAXINKSA-N 2 0 355.479 0.439 20 0 FCADRP COCCCC[N@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001279728381 863028647 /nfs/dbraw/zinc/02/86/47/863028647.db2.gz ZXPLWRRORMGSDP-JKSUJKDBSA-N 2 0 352.479 0.652 20 0 FCADRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(NS(C)(=O)=O)cc1)C2 ZINC001279728587 863029258 /nfs/dbraw/zinc/02/92/58/863029258.db2.gz RMDVZYUJRUMNNO-UHFFFAOYSA-N 2 0 352.504 0.737 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1(C)C ZINC001261474610 858561365 /nfs/dbraw/zinc/56/13/65/858561365.db2.gz GXISAOHSNYJUJB-VBQJREDUSA-N 2 0 350.467 0.433 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H]1C ZINC001261525297 858579566 /nfs/dbraw/zinc/57/95/66/858579566.db2.gz ZJHYQUMSIYYMRA-OLMMMNRUSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001261853973 858685955 /nfs/dbraw/zinc/68/59/55/858685955.db2.gz YEBZVUFQNSBPSA-UHFFFAOYSA-N 2 0 358.552 0.419 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001264502676 859369907 /nfs/dbraw/zinc/36/99/07/859369907.db2.gz PLIGRRNEWPQPPX-BHYGNILZSA-N 2 0 351.495 0.681 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270095252 859651102 /nfs/dbraw/zinc/65/11/02/859651102.db2.gz IHEHWFDAZRZCFA-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)C[NH+]1CCCC1 ZINC001270095836 859651630 /nfs/dbraw/zinc/65/16/30/859651630.db2.gz OKAFOGWCLKLUHC-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001270333114 859718877 /nfs/dbraw/zinc/71/88/77/859718877.db2.gz QKCJABHCXQKATA-CVEARBPZSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001271138742 859903716 /nfs/dbraw/zinc/90/37/16/859903716.db2.gz HBOPHHMNIFMGCB-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651465 859984731 /nfs/dbraw/zinc/98/47/31/859984731.db2.gz UIRFALRQMFVOAR-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831548 860275104 /nfs/dbraw/zinc/27/51/04/860275104.db2.gz NRLRYXSRMAOJIZ-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)C3([NH+](C)C)CC3)C2)C1=O ZINC001272903715 860294368 /nfs/dbraw/zinc/29/43/68/860294368.db2.gz AMCWRLCEKVDDPE-KRWDZBQOSA-N 2 0 350.463 0.010 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]2CC1 ZINC001273121607 860382085 /nfs/dbraw/zinc/38/20/85/860382085.db2.gz SEGFDTZYLUZMEJ-CALCHBBNSA-N 2 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCC1)C2 ZINC001273120614 860382264 /nfs/dbraw/zinc/38/22/64/860382264.db2.gz ICFOYHUNIRECIP-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC001273120665 860382439 /nfs/dbraw/zinc/38/24/39/860382439.db2.gz JVDQXWYGNWXMQA-UHFFFAOYSA-N 2 0 350.507 0.875 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)C1=O ZINC001273404091 860479530 /nfs/dbraw/zinc/47/95/30/860479530.db2.gz TXQQYINVERXCQC-KXBFYZLASA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274085081 860674883 /nfs/dbraw/zinc/67/48/83/860674883.db2.gz XMRISDOHAJWFAE-MRXNPFEDSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001274157039 860694020 /nfs/dbraw/zinc/69/40/20/860694020.db2.gz HRUSJFPCCXHRDQ-MPTYRVRUSA-N 2 0 350.507 0.632 20 0 FCADRP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)C3(O)CC[NH+](C)CC3)(C1)CCC2 ZINC001274204946 860706732 /nfs/dbraw/zinc/70/67/32/860706732.db2.gz ZJPLIYLBGNQNJT-ZWKOTPCHSA-N 2 0 352.523 0.556 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001274472437 860759572 /nfs/dbraw/zinc/75/95/72/860759572.db2.gz WJJVANRDOIKXQR-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)C3([NH+](C)C)CC3)CC2)C1 ZINC001274952847 860878993 /nfs/dbraw/zinc/87/89/93/860878993.db2.gz JCNGDSIDWFHVFS-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP COCCCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556912 861127908 /nfs/dbraw/zinc/12/79/08/861127908.db2.gz QJVPMLOVERAGFC-IBGZPJMESA-N 2 0 353.507 0.916 20 0 FCADRP CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556643 861128010 /nfs/dbraw/zinc/12/80/10/861128010.db2.gz NGUKEXAZVYGUCQ-BEFAXECRSA-N 2 0 351.491 0.857 20 0 FCADRP CC[C@H](NC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2)C(N)=O ZINC001275556998 861129057 /nfs/dbraw/zinc/12/90/57/861129057.db2.gz RRCBJOAEVWSKPC-CVEARBPZSA-N 2 0 350.507 0.810 20 0 FCADRP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736549 861179968 /nfs/dbraw/zinc/17/99/68/861179968.db2.gz FTYHXOWCFRFVJU-GOSISDBHSA-N 2 0 353.463 0.448 20 0 FCADRP CNC(=O)C(C)(C)NC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275738243 861181204 /nfs/dbraw/zinc/18/12/04/861181204.db2.gz WLPFLPHAXWURAL-OAHLLOKOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001279975832 863161670 /nfs/dbraw/zinc/16/16/70/863161670.db2.gz QQTQYANEDYYBGW-QGZVFWFLSA-N 2 0 357.568 0.151 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001280125460 863276818 /nfs/dbraw/zinc/27/68/18/863276818.db2.gz JMBCGJDZCTUFKX-MXSMSXNCSA-N 2 0 350.507 0.537 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)CC1 ZINC001280126566 863277963 /nfs/dbraw/zinc/27/79/63/863277963.db2.gz WIJAPXPITPLPGG-INIZCTEOSA-N 2 0 371.547 0.591 20 0 FCADRP COCCN(C)C(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]2CCCO[C@H]21 ZINC001280135332 863285858 /nfs/dbraw/zinc/28/58/58/863285858.db2.gz MEMHUUSLNRQEHC-FGTMMUONSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)C[C@H](C)O1 ZINC001280138534 863289510 /nfs/dbraw/zinc/28/95/10/863289510.db2.gz ZVRSWGDMOJHCAX-LQKXBSAESA-N 2 0 350.463 0.308 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280225744 863348260 /nfs/dbraw/zinc/34/82/60/863348260.db2.gz UWUULEHCFUXTJD-IRXDYDNUSA-N 2 0 351.539 0.012 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256814 863365097 /nfs/dbraw/zinc/36/50/97/863365097.db2.gz LLEAGJSRQBEWEJ-SPYBWZPUSA-N 2 0 350.482 0.515 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257156 863365303 /nfs/dbraw/zinc/36/53/03/863365303.db2.gz GJWYJCLEYBDPTQ-RANZSIQMSA-N 2 0 351.491 0.570 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCS(=O)(=O)N(C)C ZINC001292583126 865746295 /nfs/dbraw/zinc/74/62/95/865746295.db2.gz YTCWIQMPVAPZHI-OAHLLOKOSA-N 2 0 362.540 0.142 20 0 FCADRP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCN1C ZINC001349466302 866348565 /nfs/dbraw/zinc/34/85/65/866348565.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 0 355.527 0.109 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC001351364971 866841591 /nfs/dbraw/zinc/84/15/91/866841591.db2.gz VWKSXJKYZWDMAT-HUUCEWRRSA-N 2 0 350.467 0.508 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001355905461 867893980 /nfs/dbraw/zinc/89/39/80/867893980.db2.gz ZIUFUJKJERFUTH-UHFFFAOYSA-N 2 0 351.491 0.857 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001319440685 867917741 /nfs/dbraw/zinc/91/77/41/867917741.db2.gz BDBKEIXHZARZMA-KGLIPLIRSA-N 2 0 350.467 0.372 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)[N@H+]1CCO ZINC001357559705 868133779 /nfs/dbraw/zinc/13/37/79/868133779.db2.gz HUHVMQRMITYECF-OWCLPIDISA-N 2 0 354.495 0.242 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519842 868841859 /nfs/dbraw/zinc/84/18/59/868841859.db2.gz HUBALMSRBLUZGF-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001325680277 869983121 /nfs/dbraw/zinc/98/31/21/869983121.db2.gz CKOJBDFDKKLDIG-CQSZACIVSA-N 2 0 355.527 0.910 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001325740530 870013940 /nfs/dbraw/zinc/01/39/40/870013940.db2.gz LBFBMGLHHIOLMO-OVYGPGRDSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC001325861296 870065657 /nfs/dbraw/zinc/06/56/57/870065657.db2.gz DESGIISDXGTWGP-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326046030 870151337 /nfs/dbraw/zinc/15/13/37/870151337.db2.gz IAYCUVBHUFTRKF-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC001327339677 870801632 /nfs/dbraw/zinc/80/16/32/870801632.db2.gz CMUVLWOIPJUYKJ-UHFFFAOYSA-N 2 0 360.449 0.586 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC001344769281 871018032 /nfs/dbraw/zinc/01/80/32/871018032.db2.gz CRBMGNXDISZQLK-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(O)c1 ZINC001328014675 871184256 /nfs/dbraw/zinc/18/42/56/871184256.db2.gz WSTHRXMTAVUGQK-UHFFFAOYSA-N 2 0 350.463 0.003 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001345184274 871216866 /nfs/dbraw/zinc/21/68/66/871216866.db2.gz HEKKEXYZRQYSBH-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001328799779 871632847 /nfs/dbraw/zinc/63/28/47/871632847.db2.gz OPKHHAFBAMKUPY-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC001329058677 871801087 /nfs/dbraw/zinc/80/10/87/871801087.db2.gz BUVIBSADTOLHEB-PWSUYJOCSA-N 2 0 350.385 0.183 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425402 871832887 /nfs/dbraw/zinc/83/28/87/871832887.db2.gz GCVRIVRYYIJARB-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001329316780 871950305 /nfs/dbraw/zinc/95/03/05/871950305.db2.gz PZFGTNZEOFRKCM-CVEARBPZSA-N 2 0 360.524 0.133 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1(C)C ZINC001330647873 872747449 /nfs/dbraw/zinc/74/74/49/872747449.db2.gz IFANDIOFLVHKQG-VQIMIIECSA-N 2 0 352.523 0.757 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC001331415618 873100089 /nfs/dbraw/zinc/10/00/89/873100089.db2.gz KXHGKTSLOVWQCA-CQSZACIVSA-N 2 0 350.463 0.988 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001331473278 873116306 /nfs/dbraw/zinc/11/63/06/873116306.db2.gz GQZDLIILQKHNRX-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC001331513880 873131486 /nfs/dbraw/zinc/13/14/86/873131486.db2.gz BBPHWKIUNRFGOY-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331670544 873189502 /nfs/dbraw/zinc/18/95/02/873189502.db2.gz XXAZGXGIPJEWAZ-FZNQNYSPSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331906718 873299876 /nfs/dbraw/zinc/29/98/76/873299876.db2.gz VYQWBCUXIHNWHW-GVDBMIGSSA-N 2 0 353.511 0.175 20 0 FCADRP CCN(C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001332234351 873418074 /nfs/dbraw/zinc/41/80/74/873418074.db2.gz WPRCVIWCJJCCEH-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)N1 ZINC001332340790 873464795 /nfs/dbraw/zinc/46/47/95/873464795.db2.gz QKDGEMDSDLCGOK-TYTGLVAOSA-N 2 0 350.463 0.475 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001332974832 873742500 /nfs/dbraw/zinc/74/25/00/873742500.db2.gz BWDOUVMYFYHTQD-ZYHUDNBSSA-N 2 0 354.405 0.964 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001333262689 873881856 /nfs/dbraw/zinc/88/18/56/873881856.db2.gz RIESZAHYVCVVEX-KZNAEPCWSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926254 948989822 /nfs/dbraw/zinc/98/98/22/948989822.db2.gz LXMXHIPUCDXLGL-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706316 949455883 /nfs/dbraw/zinc/45/58/83/949455883.db2.gz LZIFSVLEVUDJHH-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574706496 949458141 /nfs/dbraw/zinc/45/81/41/949458141.db2.gz ZBMMFGQQNIOJIN-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708884 949504052 /nfs/dbraw/zinc/50/40/52/949504052.db2.gz XZGDTQORXZLCSS-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001575268777 949526286 /nfs/dbraw/zinc/52/62/86/949526286.db2.gz PCAFVUFNMOZACQ-OLZOCXBDSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199272 950419510 /nfs/dbraw/zinc/41/95/10/950419510.db2.gz YATITKUTTGKQOG-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576205882 950542594 /nfs/dbraw/zinc/54/25/94/950542594.db2.gz QWHYOSMQVHEAJR-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576206609 950577538 /nfs/dbraw/zinc/57/75/38/950577538.db2.gz YGBRYVJNIZESDC-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208703 950618910 /nfs/dbraw/zinc/61/89/10/950618910.db2.gz TZKCEKGVDRUELL-IHRRRGAJSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208994 950620599 /nfs/dbraw/zinc/62/05/99/950620599.db2.gz XZCPWPLIVOZSLU-KBPBESRZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575921372 950637138 /nfs/dbraw/zinc/63/71/38/950637138.db2.gz NOSLXLYWWZATSA-OCCSQVGLSA-N 2 0 368.445 0.181 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983457 950680795 /nfs/dbraw/zinc/68/07/95/950680795.db2.gz PJRHEOZBCJGZBL-IUODEOHRSA-N 2 0 356.434 0.099 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001570989106 950820884 /nfs/dbraw/zinc/82/08/84/950820884.db2.gz ZAZIFIQKIOBASY-JKSUJKDBSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570993351 950943093 /nfs/dbraw/zinc/94/30/93/950943093.db2.gz FQUWQEDIBWUZKH-IUODEOHRSA-N 2 0 358.450 0.283 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574774062 951001637 /nfs/dbraw/zinc/00/16/37/951001637.db2.gz BTDPFJPLOOGBDW-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091720 951782287 /nfs/dbraw/zinc/78/22/87/951782287.db2.gz WUMIAEVGGZATSQ-LBPRGKRZSA-N 2 0 363.441 0.799 20 0 FCADRP O=C(N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001571052639 951826078 /nfs/dbraw/zinc/82/60/78/951826078.db2.gz XFUCWMVXWOYFNQ-CYBMUJFWSA-N 2 0 368.445 0.182 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064641 951977861 /nfs/dbraw/zinc/97/78/61/951977861.db2.gz WASJUTQFTNXTPT-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001571076053 952103062 /nfs/dbraw/zinc/10/30/62/952103062.db2.gz JYMNAFMSCLMHJQ-ZDUSSCGKSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575146449 952194308 /nfs/dbraw/zinc/19/43/08/952194308.db2.gz LEYAYPWTXZUXQC-OLZOCXBDSA-N 2 0 358.450 0.284 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cn2)C1 ZINC000291509075 214039711 /nfs/dbraw/zinc/03/97/11/214039711.db2.gz QDLYGVRYPOWQRP-LSDHHAIUSA-N 2 0 359.474 0.445 20 0 FCADRP OCCC[NH+](CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)CCCO)c1 ZINC000297409890 214396691 /nfs/dbraw/zinc/39/66/91/214396691.db2.gz GHJJOMPXXAUVFT-UHFFFAOYSA-N 2 0 374.909 0.693 20 0 FCADRP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000291474039 214037236 /nfs/dbraw/zinc/03/72/36/214037236.db2.gz POMGRRJLHJZAPW-KZNAEPCWSA-N 2 0 366.531 0.883 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472845 529860955 /nfs/dbraw/zinc/86/09/55/529860955.db2.gz SFUJYQUVFUXRQF-IRXDYDNUSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000410848225 529861409 /nfs/dbraw/zinc/86/14/09/529861409.db2.gz YGHUJNXJWXUAIQ-MSOLQXFVSA-N 2 0 360.502 0.649 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719231 530059511 /nfs/dbraw/zinc/05/95/11/530059511.db2.gz NPMHWBUTSIHGQI-YLJYHZDGSA-N 2 0 362.518 0.875 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399608 214990758 /nfs/dbraw/zinc/99/07/58/214990758.db2.gz SAUQSFJLGMIUEL-FQEVSTJZSA-N 2 0 366.550 0.852 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000331536821 215012279 /nfs/dbraw/zinc/01/22/79/215012279.db2.gz DRBYDSYCHOJNHG-CRAIPNDOSA-N 2 0 362.518 0.943 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[NH+](C)C1 ZINC000331542487 215013452 /nfs/dbraw/zinc/01/34/52/215013452.db2.gz PQMMAIIQEOVVHA-QAETUUGQSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000331566862 215015931 /nfs/dbraw/zinc/01/59/31/215015931.db2.gz LAGHIUMBAFRHFW-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331684052 215034324 /nfs/dbraw/zinc/03/43/24/215034324.db2.gz SAQXMOKBENBOOF-BYNSBNAKSA-N 2 0 352.479 0.158 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C[C@H]1[NH3+] ZINC000331776548 215045929 /nfs/dbraw/zinc/04/59/29/215045929.db2.gz JSYHUXABEQVAHF-QBPKDAKJSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000331891000 215064028 /nfs/dbraw/zinc/06/40/28/215064028.db2.gz GNTZJMPUDFRTGM-QZWWFDLISA-N 2 0 350.507 0.809 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000331945265 215070498 /nfs/dbraw/zinc/07/04/98/215070498.db2.gz HBHBBBKVRLLBQD-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000331970176 215073263 /nfs/dbraw/zinc/07/32/63/215073263.db2.gz JGHHZZGQNUFCKA-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)[NH2+]1 ZINC000332082060 215088537 /nfs/dbraw/zinc/08/85/37/215088537.db2.gz NPMZFKDTRPIWEH-MUIFIZLQSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000332040960 215082431 /nfs/dbraw/zinc/08/24/31/215082431.db2.gz JMYUEOVUMDPPAC-OAGGEKHMSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C[NH2+]1 ZINC000332098412 215092543 /nfs/dbraw/zinc/09/25/43/215092543.db2.gz XTSZWPGRCHMBPN-MUIFIZLQSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1[NH+](C)C ZINC000332134604 215099649 /nfs/dbraw/zinc/09/96/49/215099649.db2.gz LTFFBBVNVICKRG-INMHGKMJSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000332156680 215103542 /nfs/dbraw/zinc/10/35/42/215103542.db2.gz ONTXAVCTFFVVQK-GJYPPUQNSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000332321190 215129140 /nfs/dbraw/zinc/12/91/40/215129140.db2.gz LJZAJEORNMMAFP-GVDBMIGSSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332460394 215155709 /nfs/dbraw/zinc/15/57/09/215155709.db2.gz HPKOKXUHIJDLEJ-RDHHWEPZSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)C2)CC1 ZINC000332700082 215204878 /nfs/dbraw/zinc/20/48/78/215204878.db2.gz WTYIDINWBGYXID-NVXWUHKLSA-N 2 0 350.507 0.764 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332702442 215206130 /nfs/dbraw/zinc/20/61/30/215206130.db2.gz YGGAKKKVUYQJDD-CVEARBPZSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1=CC[NH+](C)CC1 ZINC000332885073 215216540 /nfs/dbraw/zinc/21/65/40/215216540.db2.gz QSJQLLSRMTWDNP-NVXWUHKLSA-N 2 0 363.506 0.585 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000333488881 215288167 /nfs/dbraw/zinc/28/81/67/215288167.db2.gz IPLQECFJTHXMNG-INIZCTEOSA-N 2 0 354.495 0.603 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000333492690 215288332 /nfs/dbraw/zinc/28/83/32/215288332.db2.gz VCYJGKJPDWIDRK-HZPDHXFCSA-N 2 0 374.489 0.709 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333508574 215291243 /nfs/dbraw/zinc/29/12/43/215291243.db2.gz FCVRZJLGJUWNEO-LJQANCHMSA-N 2 0 372.517 0.987 20 0 FCADRP CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000333628662 215303091 /nfs/dbraw/zinc/30/30/91/215303091.db2.gz GFPDYFSICBQPGD-CHWSQXEVSA-N 2 0 351.417 0.606 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000333747772 215316800 /nfs/dbraw/zinc/31/68/00/215316800.db2.gz YPKNFDTTYDVHFB-WBVHZDCISA-N 2 0 362.449 0.903 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333809898 215321550 /nfs/dbraw/zinc/32/15/50/215321550.db2.gz JBJHETUIAYEXCA-OAHLLOKOSA-N 2 0 351.495 0.596 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000333842431 215324623 /nfs/dbraw/zinc/32/46/23/215324623.db2.gz OLWXDHZVFKGDNH-AEFFLSMTSA-N 2 0 363.506 0.513 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000333928514 215331841 /nfs/dbraw/zinc/33/18/41/215331841.db2.gz XKVPDJSMXIIUFT-MLHJIOFPSA-N 2 0 351.539 0.946 20 0 FCADRP CN1C(=O)N[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC000285795956 213397163 /nfs/dbraw/zinc/39/71/63/213397163.db2.gz CUAVYTBSNQAOJY-CVEARBPZSA-N 2 0 372.473 0.218 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H](C)[N@H+]1CCO ZINC000334000379 215335756 /nfs/dbraw/zinc/33/57/56/215335756.db2.gz RELUAWDGGFHNBM-MVJTYMMSSA-N 2 0 368.522 0.461 20 0 FCADRP C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000334128386 215347870 /nfs/dbraw/zinc/34/78/70/215347870.db2.gz RHZYCDJRHKATRP-IRXDYDNUSA-N 2 0 367.538 0.375 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000285213958 213303709 /nfs/dbraw/zinc/30/37/09/213303709.db2.gz WGJAPURSPFRMQQ-QZTJIDSGSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000284885721 213241233 /nfs/dbraw/zinc/24/12/33/213241233.db2.gz GUKHINBXBTURNZ-UHFFFAOYSA-N 2 0 358.486 0.931 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284659188 213192615 /nfs/dbraw/zinc/19/26/15/213192615.db2.gz CPTSVLMRAJNUAK-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000284124977 213079777 /nfs/dbraw/zinc/07/97/77/213079777.db2.gz RNCOALQBPRMBOR-FGTMMUONSA-N 2 0 358.486 0.958 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284115782 213077838 /nfs/dbraw/zinc/07/78/38/213077838.db2.gz NNBPSBCWLJYWMP-UHFFFAOYSA-N 2 0 364.490 0.449 20 0 FCADRP Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(=O)n(C)c1=O ZINC000283883547 213026629 /nfs/dbraw/zinc/02/66/29/213026629.db2.gz HDQQAAZPROWGRY-UHFFFAOYSA-N 2 0 372.469 0.847 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366595519 216002234 /nfs/dbraw/zinc/00/22/34/216002234.db2.gz GUDILJHSFNLXSD-RBSFLKMASA-N 2 0 353.429 0.884 20 0 FCADRP COCC(COC)N1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000412434023 237207184 /nfs/dbraw/zinc/20/71/84/237207184.db2.gz FRBRAODGLRKULB-GOSISDBHSA-N 2 0 369.506 0.435 20 0 FCADRP [NH3+]CCc1nc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000261913563 209496283 /nfs/dbraw/zinc/49/62/83/209496283.db2.gz UCLOCBRXTUQBST-SNVBAGLBSA-N 2 0 351.398 0.210 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000246162299 209381081 /nfs/dbraw/zinc/38/10/81/209381081.db2.gz CUWLFURKIOKSHO-IRXDYDNUSA-N 2 0 370.563 0.335 20 0 FCADRP C[C@H](CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000237458866 209352114 /nfs/dbraw/zinc/35/21/14/209352114.db2.gz BAZUUWGBODHEIJ-GDBMZVCRSA-N 2 0 355.504 0.775 20 0 FCADRP CN1CCN(C(=O)Cc2ccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000237193615 209348514 /nfs/dbraw/zinc/34/85/14/209348514.db2.gz UGDFGVACZYTRBQ-SFHVURJKSA-N 2 0 374.485 0.710 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368575579 216265861 /nfs/dbraw/zinc/26/58/61/216265861.db2.gz IWUYONXUNBYQQN-FGTMMUONSA-N 2 0 350.507 0.260 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)CC1=O ZINC000368598135 216268875 /nfs/dbraw/zinc/26/88/75/216268875.db2.gz MQCUDTUSXGLMGN-ZNFSNMQZSA-N 2 0 350.507 0.822 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368992166 216330100 /nfs/dbraw/zinc/33/01/00/216330100.db2.gz MDGITJPZOZXKGZ-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H]1CO ZINC000190357693 209270623 /nfs/dbraw/zinc/27/06/23/209270623.db2.gz HFSOOBKPKIKWHZ-DLBZAZTESA-N 2 0 353.507 0.840 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401136 216395894 /nfs/dbraw/zinc/39/58/94/216395894.db2.gz KQDKZSLROAWSLZ-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402719 216397365 /nfs/dbraw/zinc/39/73/65/216397365.db2.gz RWEUJUOMCSQJAJ-JKSUJKDBSA-N 2 0 353.511 0.175 20 0 FCADRP COCCO[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000189738376 209259081 /nfs/dbraw/zinc/25/90/81/209259081.db2.gz OLUUEFSNTZCRRL-QGZVFWFLSA-N 2 0 362.474 0.858 20 0 FCADRP C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000189562884 209255306 /nfs/dbraw/zinc/25/53/06/209255306.db2.gz XDGBEVNGEHYRCI-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000189442156 209251965 /nfs/dbraw/zinc/25/19/65/209251965.db2.gz PDXRXYCXVVLJGW-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000277537989 212371334 /nfs/dbraw/zinc/37/13/34/212371334.db2.gz LWQSYWYAUZSLLF-FGTMMUONSA-N 2 0 373.501 0.165 20 0 FCADRP CN(Cc1cc(=O)n(C)c(=O)n1C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188287876 209227746 /nfs/dbraw/zinc/22/77/46/209227746.db2.gz TYBRTIDLOAUNKP-HXUWFJFHSA-N 2 0 372.469 0.153 20 0 FCADRP CN(CC(=O)NC1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188303017 209227044 /nfs/dbraw/zinc/22/70/44/209227044.db2.gz LWLVAICGGYQHTM-HXUWFJFHSA-N 2 0 361.486 0.850 20 0 FCADRP COc1cncc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000276619761 212266926 /nfs/dbraw/zinc/26/69/26/212266926.db2.gz NTFUOAJIBKQBIN-UHFFFAOYSA-N 2 0 356.430 0.822 20 0 FCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ncnn1C ZINC000276584488 212259999 /nfs/dbraw/zinc/25/99/99/212259999.db2.gz PFEKOPNYGZKHBP-HNNXBMFYSA-N 2 0 372.477 0.783 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000187075025 209203822 /nfs/dbraw/zinc/20/38/22/209203822.db2.gz MEASSFNIXLUWAW-UHFFFAOYSA-N 2 0 356.511 0.635 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC000371821984 216787633 /nfs/dbraw/zinc/78/76/33/216787633.db2.gz GCSSVDPSCCDILT-UHFFFAOYSA-N 2 0 355.483 0.531 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931481281 674116938 /nfs/dbraw/zinc/11/69/38/674116938.db2.gz GIOXOBCFSIAAKP-UHFFFAOYSA-N 2 0 355.504 0.825 20 0 FCADRP COc1ccccc1COC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487151 674117227 /nfs/dbraw/zinc/11/72/27/674117227.db2.gz UBHRCSZBFQCDQZ-QGZVFWFLSA-N 2 0 352.475 0.961 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414665770 245311852 /nfs/dbraw/zinc/31/18/52/245311852.db2.gz VXTWLRHIKAIMOI-GOSISDBHSA-N 2 0 374.485 0.744 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000414720424 245314808 /nfs/dbraw/zinc/31/48/08/245314808.db2.gz YIBQUEVFCWMAGJ-UHFFFAOYSA-N 2 0 373.501 0.585 20 0 FCADRP CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739812 245319168 /nfs/dbraw/zinc/31/91/68/245319168.db2.gz QHDXNFYPOSKVQD-INIZCTEOSA-N 2 0 364.465 0.961 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CCN1C1CC[NH+](C)CC1 ZINC000415059449 245341620 /nfs/dbraw/zinc/34/16/20/245341620.db2.gz JGEAZHCGRUETDN-HNNXBMFYSA-N 2 0 373.501 0.711 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954528 245337349 /nfs/dbraw/zinc/33/73/49/245337349.db2.gz LIYQITMXISPMEB-MLGOLLRUSA-N 2 0 358.442 0.706 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415324407 245386426 /nfs/dbraw/zinc/38/64/26/245386426.db2.gz CGVRIQCRDWNDTF-INIZCTEOSA-N 2 0 373.501 0.942 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931567871 674120064 /nfs/dbraw/zinc/12/00/64/674120064.db2.gz ZGLCASSHLCUCRD-CABCVRRESA-N 2 0 350.467 0.508 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931567876 674120108 /nfs/dbraw/zinc/12/01/08/674120108.db2.gz ZGLCASSHLCUCRD-LSDHHAIUSA-N 2 0 350.467 0.508 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1COCCN1C1CCCC1 ZINC000373526404 217028943 /nfs/dbraw/zinc/02/89/43/217028943.db2.gz CRHXRPSEWZIPEU-MSOLQXFVSA-N 2 0 353.507 0.983 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000415360986 245398206 /nfs/dbraw/zinc/39/82/06/245398206.db2.gz YOZJHMPHJLBSRI-AWEZNQCLSA-N 2 0 362.499 0.981 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(C)c2)CC1 ZINC000415464359 245417017 /nfs/dbraw/zinc/41/70/17/245417017.db2.gz LYYYOJMWGGOOJP-UHFFFAOYSA-N 2 0 361.490 0.929 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000374753248 217167828 /nfs/dbraw/zinc/16/78/28/217167828.db2.gz ZBWLLJMBUQNJOH-JKSUJKDBSA-N 2 0 351.495 0.465 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183375784 209145979 /nfs/dbraw/zinc/14/59/79/209145979.db2.gz DTOKTRNNFLXFLE-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CC1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000418025646 245745342 /nfs/dbraw/zinc/74/53/42/245745342.db2.gz OFFKOCVIEWMFJE-OAHLLOKOSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418039561 245749057 /nfs/dbraw/zinc/74/90/57/245749057.db2.gz IFQCRVUVGALXNS-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418453181 245788842 /nfs/dbraw/zinc/78/88/42/245788842.db2.gz YUFVFZMBTYLTPG-OAHLLOKOSA-N 2 0 353.511 0.795 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418505446 245791616 /nfs/dbraw/zinc/79/16/16/245791616.db2.gz FJATXKYBDSWBBA-CJNGLKHVSA-N 2 0 356.417 0.946 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418611510 245804438 /nfs/dbraw/zinc/80/44/38/245804438.db2.gz HRSSNGOICVKPSY-DGAVXFQQSA-N 2 0 363.428 0.510 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848891 245862436 /nfs/dbraw/zinc/86/24/36/245862436.db2.gz LVRMAYKQILSTPM-FXAWDEMLSA-N 2 0 358.486 0.488 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916669 245908903 /nfs/dbraw/zinc/90/89/03/245908903.db2.gz XGRCXOACJTXUQR-IUODEOHRSA-N 2 0 370.856 0.924 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)([NH+](C)C)C1 ZINC000418921295 245912123 /nfs/dbraw/zinc/91/21/23/245912123.db2.gz JBTQPLVNSXCDRP-RKVPGOIHSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419033146 245947887 /nfs/dbraw/zinc/94/78/87/245947887.db2.gz XVKFWNPKRQMXCQ-OAGGEKHMSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000419128814 246005604 /nfs/dbraw/zinc/00/56/04/246005604.db2.gz XEGRWUVINYEYJJ-DLBZAZTESA-N 2 0 367.538 0.008 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419128435 246002806 /nfs/dbraw/zinc/00/28/06/246002806.db2.gz WFRGFRNNDCPBFP-JKSUJKDBSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2nccn2CCc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419156273 246022358 /nfs/dbraw/zinc/02/23/58/246022358.db2.gz SVVNKAGUIIEKAS-HOTGVXAUSA-N 2 0 369.469 0.951 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000419159307 246024343 /nfs/dbraw/zinc/02/43/43/246024343.db2.gz XBIVJSNYWPTZDK-BRWVUGGUSA-N 2 0 352.523 0.914 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161601 246025495 /nfs/dbraw/zinc/02/54/95/246025495.db2.gz DNICLTMXBJDUDG-QZTJIDSGSA-N 2 0 374.485 0.343 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419131244 246006336 /nfs/dbraw/zinc/00/63/36/246006336.db2.gz CEBWACUFRYYGCZ-ISTRZQFTSA-N 2 0 360.433 0.432 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419133040 246006900 /nfs/dbraw/zinc/00/69/00/246006900.db2.gz IHDRNMKDKYZFHV-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419131327 246007672 /nfs/dbraw/zinc/00/76/72/246007672.db2.gz GQEZLIVTOOMXCX-NUJGCVRESA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000419139435 246010679 /nfs/dbraw/zinc/01/06/79/246010679.db2.gz URSQFAPZGARTDY-MSOLQXFVSA-N 2 0 374.485 0.343 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419136148 246011165 /nfs/dbraw/zinc/01/11/65/246011165.db2.gz ORUDPZOPYOYBOM-CQSZACIVSA-N 2 0 350.488 0.554 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419143069 246013857 /nfs/dbraw/zinc/01/38/57/246013857.db2.gz YRQXFQFSSNACNA-WMZOPIPTSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144910 246014035 /nfs/dbraw/zinc/01/40/35/246014035.db2.gz GZUPEWFPOSLERJ-LSDHHAIUSA-N 2 0 364.515 0.897 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162344 246026633 /nfs/dbraw/zinc/02/66/33/246026633.db2.gz GZYNPTSGSNLZPA-MSOLQXFVSA-N 2 0 374.485 0.343 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000419162923 246026683 /nfs/dbraw/zinc/02/66/83/246026683.db2.gz VQEOOQRBVRSDOE-YYIAUSFCSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166567 246027970 /nfs/dbraw/zinc/02/79/70/246027970.db2.gz HLYNYKBLXIJNFY-AEFFLSMTSA-N 2 0 358.486 0.488 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166568 246028183 /nfs/dbraw/zinc/02/81/83/246028183.db2.gz HLYNYKBLXIJNFY-FUHWJXTLSA-N 2 0 358.486 0.488 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166925 246030391 /nfs/dbraw/zinc/03/03/91/246030391.db2.gz ICLRPPBDAHTIFL-NEWSRXKRSA-N 2 0 372.513 0.863 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419170901 246032682 /nfs/dbraw/zinc/03/26/82/246032682.db2.gz OGMZTROLVAXXRI-WIYYLYMNSA-N 2 0 372.513 0.865 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000419175748 246035461 /nfs/dbraw/zinc/03/54/61/246035461.db2.gz XZYHDHUPKYRIML-LJQANCHMSA-N 2 0 372.513 0.865 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000419183420 246038673 /nfs/dbraw/zinc/03/86/73/246038673.db2.gz MHPMIWMQGXAIKW-CVEARBPZSA-N 2 0 352.479 0.086 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419185076 246041288 /nfs/dbraw/zinc/04/12/88/246041288.db2.gz GPICWERAVIBLCR-KRWDZBQOSA-N 2 0 362.449 0.760 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000419190021 246043522 /nfs/dbraw/zinc/04/35/22/246043522.db2.gz MEPRVUPHNKKRPT-LSDHHAIUSA-N 2 0 359.474 0.371 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000419216027 246059086 /nfs/dbraw/zinc/05/90/86/246059086.db2.gz OVSQCOCMFAVFSC-RKVPGOIHSA-N 2 0 374.485 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419216236 246060437 /nfs/dbraw/zinc/06/04/37/246060437.db2.gz ZZRRVPFCLZHXTF-JFIYKMOQSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223471 246060925 /nfs/dbraw/zinc/06/09/25/246060925.db2.gz DAMBXHVHIMUISW-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223473 246061046 /nfs/dbraw/zinc/06/10/46/246061046.db2.gz DAMBXHVHIMUISW-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225461 246064411 /nfs/dbraw/zinc/06/44/11/246064411.db2.gz HBQNBHJRRBVQDW-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419225189 246065896 /nfs/dbraw/zinc/06/58/96/246065896.db2.gz GRWNGDICVXLCKE-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226542 246066024 /nfs/dbraw/zinc/06/60/24/246066024.db2.gz JEUZHPCFCJYTIR-NQYYFHDYSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419199676 246047821 /nfs/dbraw/zinc/04/78/21/246047821.db2.gz DMRRCSLPODIYGK-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419205311 246053366 /nfs/dbraw/zinc/05/33/66/246053366.db2.gz JWBSVZXACJGLMR-DAYGRLMNSA-N 2 0 374.485 0.390 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]21 ZINC000419228623 246068146 /nfs/dbraw/zinc/06/81/46/246068146.db2.gz MOHKARMAIDUCAQ-BRSBDYLESA-N 2 0 362.518 0.953 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000419227842 246068694 /nfs/dbraw/zinc/06/86/94/246068694.db2.gz LJNWLKGWHZBZKU-YESZJQIVSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419235358 246070599 /nfs/dbraw/zinc/07/05/99/246070599.db2.gz YVQALCBVNNIEJG-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419253395 246077168 /nfs/dbraw/zinc/07/71/68/246077168.db2.gz UHBXSOMYGFTLMS-BFYDXBDKSA-N 2 0 358.486 0.819 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000419265078 246080631 /nfs/dbraw/zinc/08/06/31/246080631.db2.gz CUWORCONKSFQQV-QGZVFWFLSA-N 2 0 360.458 0.085 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000419268518 246081191 /nfs/dbraw/zinc/08/11/91/246081191.db2.gz MTYZVVVYVWKFCI-GOSISDBHSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329507 246100951 /nfs/dbraw/zinc/10/09/51/246100951.db2.gz GPNPAAFLOHSXLU-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419336334 246103935 /nfs/dbraw/zinc/10/39/35/246103935.db2.gz ACXZHKZLAUUSJO-IAGOWNOFSA-N 2 0 368.522 0.354 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419370452 246121000 /nfs/dbraw/zinc/12/10/00/246121000.db2.gz HJZZJGUYWWTLEO-MRXNPFEDSA-N 2 0 372.513 0.708 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419371674 246122896 /nfs/dbraw/zinc/12/28/96/246122896.db2.gz JJASVQJCQYLMHZ-CRAIPNDOSA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419382409 246126513 /nfs/dbraw/zinc/12/65/13/246126513.db2.gz YYUGZXZUNQHFQR-UHFFFAOYSA-N 2 0 370.497 0.628 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419391311 246129362 /nfs/dbraw/zinc/12/93/62/246129362.db2.gz JSOYQVKBTIUVPY-ZWKOTPCHSA-N 2 0 374.485 0.126 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000419360262 246115939 /nfs/dbraw/zinc/11/59/39/246115939.db2.gz SCNLAMFSIVWXGH-DOTOQJQBSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419412021 246148182 /nfs/dbraw/zinc/14/81/82/246148182.db2.gz CGNGUAIHAVFGFW-RDJZCZTQSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419417030 246148996 /nfs/dbraw/zinc/14/89/96/246148996.db2.gz HQBWCHMPYHEAOY-YVSFHVDLSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419415677 246149148 /nfs/dbraw/zinc/14/91/48/246149148.db2.gz GEQNVEJGUIGSMQ-GOSISDBHSA-N 2 0 358.486 0.761 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419415644 246149922 /nfs/dbraw/zinc/14/99/22/246149922.db2.gz VNRNTZJWTXLRLG-UHOFOFEASA-N 2 0 350.438 0.788 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419416557 246150322 /nfs/dbraw/zinc/15/03/22/246150322.db2.gz WIJJIOXEHACVAX-IAGOWNOFSA-N 2 0 368.522 0.722 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419388377 246131179 /nfs/dbraw/zinc/13/11/79/246131179.db2.gz DMWZQICOOHHOMT-DSLXNQLJSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399686 246135568 /nfs/dbraw/zinc/13/55/68/246135568.db2.gz KDJJWDOCCJWQFG-JQHSSLGASA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419404338 246138125 /nfs/dbraw/zinc/13/81/25/246138125.db2.gz FXLZXXKXTFZFEC-FLXSYLCISA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419404751 246140084 /nfs/dbraw/zinc/14/00/84/246140084.db2.gz GQHXXMXMYYUCKQ-OWCLPIDISA-N 2 0 350.438 0.931 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409188 246142775 /nfs/dbraw/zinc/14/27/75/246142775.db2.gz DTRLBMYAWNUULY-OIISXLGYSA-N 2 0 362.474 0.246 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419408262 246142980 /nfs/dbraw/zinc/14/29/80/246142980.db2.gz LRBFLVKUUZSPPW-QZTJIDSGSA-N 2 0 358.486 0.808 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000419426762 246157572 /nfs/dbraw/zinc/15/75/72/246157572.db2.gz QYTJDXNPZUIYBS-UHFFFAOYSA-N 2 0 358.486 0.748 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000419417623 246152216 /nfs/dbraw/zinc/15/22/16/246152216.db2.gz XHYNAOJWNPJIKD-DVOMOZLQSA-N 2 0 350.438 0.753 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000419420347 246153639 /nfs/dbraw/zinc/15/36/39/246153639.db2.gz ZYANQZBWKPZJJT-QRQLOZEOSA-N 2 0 370.497 0.760 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000419509069 246184821 /nfs/dbraw/zinc/18/48/21/246184821.db2.gz FBOZGXJQOGKAQF-MRXNPFEDSA-N 2 0 361.490 0.087 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419506477 246185758 /nfs/dbraw/zinc/18/57/58/246185758.db2.gz MJQDFRQAXRMYRE-RYRKJORJSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419474836 246176101 /nfs/dbraw/zinc/17/61/01/246176101.db2.gz CQCBFYVTEUTMOY-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419475122 246176488 /nfs/dbraw/zinc/17/64/88/246176488.db2.gz DIMKSXYOXZJGPU-HOTGVXAUSA-N 2 0 350.507 0.897 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419474091 246177219 /nfs/dbraw/zinc/17/72/19/246177219.db2.gz BMJHUEIPBZFDDT-VQIMIIECSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419482365 246177903 /nfs/dbraw/zinc/17/79/03/246177903.db2.gz QIUYCISVWYZTGU-IXDOHACOSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419481872 246178622 /nfs/dbraw/zinc/17/86/22/246178622.db2.gz PVLJIEBFGXJGKN-XMTFNYHQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419532195 246194458 /nfs/dbraw/zinc/19/44/58/246194458.db2.gz MSHXZVIGIFNCIQ-NJAFHUGGSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419532143 246195301 /nfs/dbraw/zinc/19/53/01/246195301.db2.gz MIDHOYUFUURAKV-LISAXSMJSA-N 2 0 358.486 0.832 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419539280 246197249 /nfs/dbraw/zinc/19/72/49/246197249.db2.gz YJBJFKFMNVCITI-CYGHRXIMSA-N 2 0 358.486 0.819 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419539904 246198078 /nfs/dbraw/zinc/19/80/78/246198078.db2.gz QCDDRKPIPLMFFK-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419635242 246224360 /nfs/dbraw/zinc/22/43/60/246224360.db2.gz CRRGHEUTXCSWTA-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000419664144 246236842 /nfs/dbraw/zinc/23/68/42/246236842.db2.gz LPUSHWSARITQRB-UHFFFAOYSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000419669145 246239533 /nfs/dbraw/zinc/23/95/33/246239533.db2.gz ZFXDIIJEWRZXFC-OAHLLOKOSA-N 2 0 362.474 0.454 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000419672264 246242000 /nfs/dbraw/zinc/24/20/00/246242000.db2.gz ZGUSTUITKUFNFU-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419678450 246243768 /nfs/dbraw/zinc/24/37/68/246243768.db2.gz DURYCZGMALMJTH-AWEZNQCLSA-N 2 0 354.520 0.271 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419676123 246244019 /nfs/dbraw/zinc/24/40/19/246244019.db2.gz BEBLAJZHTLKQSR-OAHLLOKOSA-N 2 0 368.547 0.804 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000419684515 246248065 /nfs/dbraw/zinc/24/80/65/246248065.db2.gz VSVNTRXHAKSFAS-UHFFFAOYSA-N 2 0 368.522 0.501 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[NH2+]1 ZINC000419685442 246249685 /nfs/dbraw/zinc/24/96/85/246249685.db2.gz WIGIEVDQBBDURI-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419687805 246250384 /nfs/dbraw/zinc/25/03/84/246250384.db2.gz QBQXQTLGJOYJDK-JKSUJKDBSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000419688985 246252601 /nfs/dbraw/zinc/25/26/01/246252601.db2.gz SHPLFTQHJAGONY-HZPDHXFCSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[NH2+]C1 ZINC000419690159 246252744 /nfs/dbraw/zinc/25/27/44/246252744.db2.gz UWBULPAUGBXMHT-SFHVURJKSA-N 2 0 366.506 0.254 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C1CCCC1 ZINC000419697705 246254819 /nfs/dbraw/zinc/25/48/19/246254819.db2.gz RFRAIFKPIVAUSO-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419709952 246263440 /nfs/dbraw/zinc/26/34/40/246263440.db2.gz PSBPWWZLDBZZJS-KBAYOESNSA-N 2 0 374.485 0.342 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000419717851 246267515 /nfs/dbraw/zinc/26/75/15/246267515.db2.gz VHPAKOUJRTWIMB-OWCLPIDISA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758237 246286994 /nfs/dbraw/zinc/28/69/94/246286994.db2.gz JQGJVKKZLYKODJ-UKRRQHHQSA-N 2 0 350.438 0.569 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419761531 246289250 /nfs/dbraw/zinc/28/92/50/246289250.db2.gz KJKAWXRSXVXVMU-ZWKOTPCHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799910 246299022 /nfs/dbraw/zinc/29/90/22/246299022.db2.gz FRSUOWJDZDLHLX-HNNXBMFYSA-N 2 0 366.506 0.476 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419801132 246300308 /nfs/dbraw/zinc/30/03/08/246300308.db2.gz ARKKDFHXXZEGBB-DOTOQJQBSA-N 2 0 360.458 0.426 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419800650 246300341 /nfs/dbraw/zinc/30/03/41/246300341.db2.gz IHRDMEQMEUUMFJ-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000419804080 246300827 /nfs/dbraw/zinc/30/08/27/246300827.db2.gz FSKSHRRRECSEHP-WNRNVDISSA-N 2 0 358.486 0.910 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000419804259 246301436 /nfs/dbraw/zinc/30/14/36/246301436.db2.gz CWZMSFQPPHWPQU-BZUAXINKSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419726613 246272297 /nfs/dbraw/zinc/27/22/97/246272297.db2.gz VBMCZNLNIRLTIQ-AEFFLSMTSA-N 2 0 356.470 0.588 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C[NH3+])C1 ZINC000419822154 246306136 /nfs/dbraw/zinc/30/61/36/246306136.db2.gz OXNFUZREYQAFDQ-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419872779 246340931 /nfs/dbraw/zinc/34/09/31/246340931.db2.gz FKGSOHFPCHWHDM-BPQIPLTHSA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000419873101 246341172 /nfs/dbraw/zinc/34/11/72/246341172.db2.gz UTZBABIRYYMDNO-FGTMMUONSA-N 2 0 356.470 0.430 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419837870 246314398 /nfs/dbraw/zinc/31/43/98/246314398.db2.gz XBRVMHYWIISAKL-INIZCTEOSA-N 2 0 367.538 0.154 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419844372 246315534 /nfs/dbraw/zinc/31/55/34/246315534.db2.gz OAGRAZGFCWOCLI-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419845939 246318233 /nfs/dbraw/zinc/31/82/33/246318233.db2.gz FWYIFABACLHGSM-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)o1 ZINC000419854013 246323608 /nfs/dbraw/zinc/32/36/08/246323608.db2.gz FSBFVUHLHDSYKF-OAHLLOKOSA-N 2 0 350.463 0.594 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000419869435 246337593 /nfs/dbraw/zinc/33/75/93/246337593.db2.gz BMYKOEIQCVRICH-HOTGVXAUSA-N 2 0 364.490 0.983 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419920710 246370821 /nfs/dbraw/zinc/37/08/21/246370821.db2.gz XBSJUDFFCFDAMU-HNNXBMFYSA-N 2 0 364.465 0.832 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419924894 246371626 /nfs/dbraw/zinc/37/16/26/246371626.db2.gz NQLFTAKVFBOSCA-RTBURBONSA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000419877316 246344399 /nfs/dbraw/zinc/34/43/99/246344399.db2.gz PWDOPZNGBZQSAZ-ARFHVFGLSA-N 2 0 350.438 0.931 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419889303 246352951 /nfs/dbraw/zinc/35/29/51/246352951.db2.gz SAJFCZSHKBYDLG-WIYYLYMNSA-N 2 0 370.497 0.979 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419893125 246353877 /nfs/dbraw/zinc/35/38/77/246353877.db2.gz LSZDKLWIEZORGP-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419890575 246354011 /nfs/dbraw/zinc/35/40/11/246354011.db2.gz TVPQXKDGEKIDNS-UXLLHSPISA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893376 246354772 /nfs/dbraw/zinc/35/47/72/246354772.db2.gz LZSFKGQZGHDBPW-AWEZNQCLSA-N 2 0 368.428 0.723 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000419899338 246357919 /nfs/dbraw/zinc/35/79/19/246357919.db2.gz YOOJEEORCUGEOT-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000419905365 246362473 /nfs/dbraw/zinc/36/24/73/246362473.db2.gz WFKDXPBPNANWHE-GJZGRUSLSA-N 2 0 350.463 0.674 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419907808 246363297 /nfs/dbraw/zinc/36/32/97/246363297.db2.gz XUZSSQSUTHHELC-FPCVCCKLSA-N 2 0 354.495 0.106 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419940984 246380994 /nfs/dbraw/zinc/38/09/94/246380994.db2.gz VZKBEWLYQHPJIW-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000377802006 217598184 /nfs/dbraw/zinc/59/81/84/217598184.db2.gz DQRYYJFYSFOJKU-ZJPYXAASSA-N 2 0 353.507 0.912 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186418 246518477 /nfs/dbraw/zinc/51/84/77/246518477.db2.gz CLGXPVAPIOZYBA-OKYOBFRVSA-N 2 0 370.497 0.820 20 0 FCADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N1CC[NH2+]CC1 ZINC000423380575 247016560 /nfs/dbraw/zinc/01/65/60/247016560.db2.gz HENLRVUVWVQMCY-KBXIAJHMSA-N 2 0 350.429 0.569 20 0 FCADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398566 247019524 /nfs/dbraw/zinc/01/95/24/247019524.db2.gz VOXFKDUERJSMNW-XQQFMLRXSA-N 2 0 357.442 0.768 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423394075 247019658 /nfs/dbraw/zinc/01/96/58/247019658.db2.gz ZLCUKNCKIKADSS-HNNXBMFYSA-N 2 0 367.538 0.057 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423394080 247019915 /nfs/dbraw/zinc/01/99/15/247019915.db2.gz ZLCUKNCKIKADSS-OAHLLOKOSA-N 2 0 367.538 0.057 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423414234 247021713 /nfs/dbraw/zinc/02/17/13/247021713.db2.gz MHNUTWRUJPMUSQ-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423306483 247001021 /nfs/dbraw/zinc/00/10/21/247001021.db2.gz UDZFSKSDWPTZQD-CGZBRXJRSA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530551 247044734 /nfs/dbraw/zinc/04/47/34/247044734.db2.gz PPSHROWYMNRVNV-SJORKVTESA-N 2 0 367.538 0.199 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573311 247057471 /nfs/dbraw/zinc/05/74/71/247057471.db2.gz WBRGPNDVJSABML-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000423432309 247025488 /nfs/dbraw/zinc/02/54/88/247025488.db2.gz BALCNWUYDJBIRT-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000423443877 247028136 /nfs/dbraw/zinc/02/81/36/247028136.db2.gz KWWPXOXFGQCIJW-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC000423596095 247069343 /nfs/dbraw/zinc/06/93/43/247069343.db2.gz QXVYZKFIFBRLFX-HIFRSBDPSA-N 2 0 353.488 0.750 20 0 FCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC000423596097 247069490 /nfs/dbraw/zinc/06/94/90/247069490.db2.gz QXVYZKFIFBRLFX-ZFWWWQNUSA-N 2 0 353.488 0.750 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423609917 247074803 /nfs/dbraw/zinc/07/48/03/247074803.db2.gz MDVGXVOSKLFZSA-HZPDHXFCSA-N 2 0 364.515 0.706 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423615221 247076866 /nfs/dbraw/zinc/07/68/66/247076866.db2.gz YFMRESSYRSYIFX-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624805 247082094 /nfs/dbraw/zinc/08/20/94/247082094.db2.gz DQHMBSKYCNYVHZ-GHTZIAJQSA-N 2 0 370.497 0.918 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423643667 247090277 /nfs/dbraw/zinc/09/02/77/247090277.db2.gz CWKWWSYUHBWCPH-MSOLQXFVSA-N 2 0 358.486 0.440 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423648347 247091782 /nfs/dbraw/zinc/09/17/82/247091782.db2.gz ZSLZAOBYFKGWKX-LAUBAEHRSA-N 2 0 370.497 0.931 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000423649876 247092687 /nfs/dbraw/zinc/09/26/87/247092687.db2.gz TUMGMCMAUDWNOB-ROUUACIJSA-N 2 0 370.497 0.917 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423649877 247093265 /nfs/dbraw/zinc/09/32/65/247093265.db2.gz TUMGMCMAUDWNOB-ZWKOTPCHSA-N 2 0 370.497 0.917 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2CSCC[NH2+]2)cn1 ZINC000423915583 247151376 /nfs/dbraw/zinc/15/13/76/247151376.db2.gz MEQZNPYYXLJHRM-KKUMJFAQSA-N 2 0 355.483 0.544 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423698976 247115447 /nfs/dbraw/zinc/11/54/47/247115447.db2.gz QDYXZGWQRFFONA-WBVHZDCISA-N 2 0 368.522 0.674 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423730587 247131283 /nfs/dbraw/zinc/13/12/83/247131283.db2.gz LIVCPDJZLDTXJQ-GOEBONIOSA-N 2 0 350.463 0.756 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423740457 247135820 /nfs/dbraw/zinc/13/58/20/247135820.db2.gz IYEUTRXTWDMJTC-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@H]1C[NH3+] ZINC000423741238 247135891 /nfs/dbraw/zinc/13/58/91/247135891.db2.gz SPQXJEKLNXTKEC-ZACQAIPSSA-N 2 0 366.506 0.143 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423747784 247137638 /nfs/dbraw/zinc/13/76/38/247137638.db2.gz PZLYEEDWIHZODM-CVEARBPZSA-N 2 0 355.479 0.631 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424497477 247240723 /nfs/dbraw/zinc/24/07/23/247240723.db2.gz XGXVFXFYPHVIOL-HNNXBMFYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424470122 247229396 /nfs/dbraw/zinc/22/93/96/247229396.db2.gz AVAYPMVIPXGEQM-HYVNUMGLSA-N 2 0 364.494 0.357 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054675 247287824 /nfs/dbraw/zinc/28/78/24/247287824.db2.gz FQHKSUDMBIZZRG-XWTMOSNGSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424542985 247258204 /nfs/dbraw/zinc/25/82/04/247258204.db2.gz JAIIGJVVRRPETE-RCCFBDPRSA-N 2 0 356.470 0.588 20 0 FCADRP CC(C)N1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000429496132 247648940 /nfs/dbraw/zinc/64/89/40/247648940.db2.gz VOFIKBVRNAURGS-INIZCTEOSA-N 2 0 355.527 0.911 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000433113445 247843097 /nfs/dbraw/zinc/84/30/97/247843097.db2.gz DWJFDSQEWONDTA-KRWDZBQOSA-N 2 0 366.506 0.430 20 0 FCADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000435387431 247994636 /nfs/dbraw/zinc/99/46/36/247994636.db2.gz AIVGHJOKCFDKFO-UHFFFAOYSA-N 2 0 351.447 0.999 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000436045442 248029833 /nfs/dbraw/zinc/02/98/33/248029833.db2.gz APUPVQRHNHOQKW-AWEZNQCLSA-N 2 0 365.478 0.171 20 0 FCADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc21 ZINC000438883244 248099770 /nfs/dbraw/zinc/09/97/70/248099770.db2.gz BYTHHLUCHXEBPA-OAHLLOKOSA-N 2 0 366.487 0.903 20 0 FCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000439586841 248134737 /nfs/dbraw/zinc/13/47/37/248134737.db2.gz JRUKMALRMDATLP-KRWDZBQOSA-N 2 0 373.505 0.703 20 0 FCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000439586844 248134762 /nfs/dbraw/zinc/13/47/62/248134762.db2.gz JRUKMALRMDATLP-QGZVFWFLSA-N 2 0 373.505 0.703 20 0 FCADRP CNc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443522723 248330623 /nfs/dbraw/zinc/33/06/23/248330623.db2.gz MUWDGQXAERAMBN-NMWPEEMBSA-N 2 0 362.526 0.393 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000444847306 248369794 /nfs/dbraw/zinc/36/97/94/248369794.db2.gz KTMLHDXRNDOIQP-UHFFFAOYSA-N 2 0 353.511 0.618 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000446364777 248387506 /nfs/dbraw/zinc/38/75/06/248387506.db2.gz UTDRWSNQFKMNFQ-OLMMMNRUSA-N 2 0 351.491 0.700 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccn1 ZINC000452380721 249315322 /nfs/dbraw/zinc/31/53/22/249315322.db2.gz UGVUYGRIBHQKTE-MRXNPFEDSA-N 2 0 350.463 0.599 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270708019 211251405 /nfs/dbraw/zinc/25/14/05/211251405.db2.gz KLYOMTIZCBHWAC-MRXNPFEDSA-N 2 0 364.494 0.067 20 0 FCADRP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000470009097 250020651 /nfs/dbraw/zinc/02/06/51/250020651.db2.gz PBSKHHXHGDFKQV-OAHLLOKOSA-N 2 0 365.478 0.350 20 0 FCADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCOCC2 ZINC000469783021 250003698 /nfs/dbraw/zinc/00/36/98/250003698.db2.gz IQTXKOWGRWPVLY-RBUKOAKNSA-N 2 0 369.550 0.940 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470964223 250082532 /nfs/dbraw/zinc/08/25/32/250082532.db2.gz VUQDUICXLNKERD-QAPCUYQASA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000471470803 250104144 /nfs/dbraw/zinc/10/41/44/250104144.db2.gz JYJZLWSSUSWUES-OWCLPIDISA-N 2 0 369.510 0.077 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000471651712 250113231 /nfs/dbraw/zinc/11/32/31/250113231.db2.gz GPVYCILMTGWFFR-GOSISDBHSA-N 2 0 364.490 0.631 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000471656360 250114628 /nfs/dbraw/zinc/11/46/28/250114628.db2.gz BXRNJRCQWRTOMZ-UHFFFAOYSA-N 2 0 364.494 0.211 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481067194 250310892 /nfs/dbraw/zinc/31/08/92/250310892.db2.gz BJEFDCKVBLSYKA-QGZVFWFLSA-N 2 0 357.568 0.749 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413489060 532991393 /nfs/dbraw/zinc/99/13/93/532991393.db2.gz QXWBFZHCRNBGJW-JKSUJKDBSA-N 2 0 370.494 0.234 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+](C)C1 ZINC000413068495 532994286 /nfs/dbraw/zinc/99/42/86/532994286.db2.gz XHYXGFRQCVZEOE-QGZVFWFLSA-N 2 0 362.474 0.994 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077622051 208072373 /nfs/dbraw/zinc/07/23/73/208072373.db2.gz QJBKXXYYNQBLGJ-INIZCTEOSA-N 2 0 356.511 0.707 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961226 208123655 /nfs/dbraw/zinc/12/36/55/208123655.db2.gz PPRBVPQNXJZBCI-UXHICEINSA-N 2 0 374.529 0.766 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000092587471 208146533 /nfs/dbraw/zinc/14/65/33/208146533.db2.gz KMAOINRRTJYRBM-HUUCEWRRSA-N 2 0 364.490 0.405 20 0 FCADRP Cn1cc(CNCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000116922318 208337144 /nfs/dbraw/zinc/33/71/44/208337144.db2.gz YUNKQKBADSQJAP-UHFFFAOYSA-N 2 0 363.487 0.646 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000119290280 208359132 /nfs/dbraw/zinc/35/91/32/208359132.db2.gz GKFGCRBCJVQBEQ-QGZVFWFLSA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000120171301 208376472 /nfs/dbraw/zinc/37/64/72/208376472.db2.gz AOSYAHKMUPQICP-KRWDZBQOSA-N 2 0 356.511 0.633 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412320027 533494139 /nfs/dbraw/zinc/49/41/39/533494139.db2.gz VEDMSMKRADMUDZ-BBWFWOEESA-N 2 0 368.522 0.497 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410475688 230096037 /nfs/dbraw/zinc/09/60/37/230096037.db2.gz NLFFZJJIKIUBAI-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]1OCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000410580009 230141207 /nfs/dbraw/zinc/14/12/07/230141207.db2.gz HGFAQMPRRGIVBO-HUUCEWRRSA-N 2 0 354.495 0.107 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410738297 230227829 /nfs/dbraw/zinc/22/78/29/230227829.db2.gz WEVNAXFWOGJQKK-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410738299 230228249 /nfs/dbraw/zinc/22/82/49/230228249.db2.gz WEVNAXFWOGJQKK-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000410795701 230253041 /nfs/dbraw/zinc/25/30/41/230253041.db2.gz XSKZUZIVEJXSQK-DOTOQJQBSA-N 2 0 356.426 0.534 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000410954961 230323506 /nfs/dbraw/zinc/32/35/06/230323506.db2.gz QHNWFZFLOFLBTI-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000301087870 488875879 /nfs/dbraw/zinc/87/58/79/488875879.db2.gz YSQLYNORFVQCKS-UHFFFAOYSA-N 2 0 367.519 0.914 20 0 FCADRP O=S(=O)(CCCN1CCOCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000364047580 488917550 /nfs/dbraw/zinc/91/75/50/488917550.db2.gz JYMWFTXGPSXLLG-KRWDZBQOSA-N 2 0 359.536 0.989 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364232366 488939027 /nfs/dbraw/zinc/93/90/27/488939027.db2.gz YUJWBXZJVQMXBU-HZPDHXFCSA-N 2 0 369.506 0.877 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000288143122 488949497 /nfs/dbraw/zinc/94/94/97/488949497.db2.gz LPVHBWYGQKLHCT-HNNXBMFYSA-N 2 0 361.490 0.439 20 0 FCADRP O=C([C@@H]1COCCN1CC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000364414509 488957392 /nfs/dbraw/zinc/95/73/92/488957392.db2.gz CYOHMSBYNMTLEO-SFHVURJKSA-N 2 0 351.491 0.811 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)c1 ZINC000569807701 491193662 /nfs/dbraw/zinc/19/36/62/491193662.db2.gz NGIYJFLLUWTUKO-AWEZNQCLSA-N 2 0 371.445 0.396 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000569810235 491193709 /nfs/dbraw/zinc/19/37/09/491193709.db2.gz HYQPURDMZSWTEW-RRFJBIMHSA-N 2 0 361.490 0.965 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000073212983 488383987 /nfs/dbraw/zinc/38/39/87/488383987.db2.gz MKYDUGSTHZMYGG-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC000073429844 488384568 /nfs/dbraw/zinc/38/45/68/488384568.db2.gz VFSMAEKZCCQPHS-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000074170986 488388786 /nfs/dbraw/zinc/38/87/86/488388786.db2.gz OHNICSBKGLRITQ-KRWDZBQOSA-N 2 0 369.554 0.765 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000074345304 488390942 /nfs/dbraw/zinc/39/09/42/488390942.db2.gz CXHHBBAABGQIDG-LSDHHAIUSA-N 2 0 351.495 0.357 20 0 FCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000183290150 488391542 /nfs/dbraw/zinc/39/15/42/488391542.db2.gz FOGZUGFWWLDYON-CQSZACIVSA-N 2 0 355.504 0.891 20 0 FCADRP CC1C[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000185731479 488402616 /nfs/dbraw/zinc/40/26/16/488402616.db2.gz HHWXAJVABOWNLQ-XSLAGTTESA-N 2 0 364.534 0.785 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000186620359 488407358 /nfs/dbraw/zinc/40/73/58/488407358.db2.gz BVEJQRTWZJILRD-OAHLLOKOSA-N 2 0 357.524 0.776 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000077760415 488417194 /nfs/dbraw/zinc/41/71/94/488417194.db2.gz BWCMIFNJMOVQQQ-QGZVFWFLSA-N 2 0 370.538 0.879 20 0 FCADRP CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)[NH+](CC)CC ZINC000269164571 488475565 /nfs/dbraw/zinc/47/55/65/488475565.db2.gz CNNWCDBDUZZANI-HNNXBMFYSA-N 2 0 356.492 0.983 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269251276 488482186 /nfs/dbraw/zinc/48/21/86/488482186.db2.gz PJYFODOWTVNSSS-QZTJIDSGSA-N 2 0 358.486 0.760 20 0 FCADRP Cc1cc(N2CC[C@H]([N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)n(C)n1 ZINC000247498900 488486319 /nfs/dbraw/zinc/48/63/19/488486319.db2.gz LNGVENHOMPSEAW-RDJZCZTQSA-N 2 0 363.506 0.858 20 0 FCADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269294745 488487880 /nfs/dbraw/zinc/48/78/80/488487880.db2.gz MYJQPZFPAXXFBZ-SFHVURJKSA-N 3 0 361.490 0.479 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269301736 488488989 /nfs/dbraw/zinc/48/89/89/488488989.db2.gz QSZCDAMFVDRRHA-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000103210963 488500157 /nfs/dbraw/zinc/50/01/57/488500157.db2.gz UYNXGCOYSBSWKS-GOSISDBHSA-N 2 0 360.502 0.987 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000103509917 488502412 /nfs/dbraw/zinc/50/24/12/488502412.db2.gz YZLLCCGVNIDDIT-UHFFFAOYSA-N 2 0 360.506 0.941 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000103607478 488503173 /nfs/dbraw/zinc/50/31/73/488503173.db2.gz NSLWPTLDGXLZIU-QGZVFWFLSA-N 2 0 367.538 0.914 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000104102444 488504154 /nfs/dbraw/zinc/50/41/54/488504154.db2.gz OXITVRMCWKYKOS-UHFFFAOYSA-N 2 0 356.492 0.759 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000104800792 488505576 /nfs/dbraw/zinc/50/55/76/488505576.db2.gz JYDKDCWJDGXQLN-MRXNPFEDSA-N 2 0 374.489 0.501 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@@H](C)O1 ZINC000249117459 488506818 /nfs/dbraw/zinc/50/68/18/488506818.db2.gz ONPCEVOVIQHBQQ-BRWVUGGUSA-N 2 0 370.538 0.972 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000562961476 491203659 /nfs/dbraw/zinc/20/36/59/491203659.db2.gz VVXDNWSQNBMUJW-AWEZNQCLSA-N 2 0 352.504 0.836 20 0 FCADRP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249363961 488508939 /nfs/dbraw/zinc/50/89/39/488508939.db2.gz VMBXQCAWYJWTCV-XIFXPZOESA-N 2 0 368.566 0.316 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000569925069 491204009 /nfs/dbraw/zinc/20/40/09/491204009.db2.gz YXFHTKRBCVVVRV-NRFANRHFSA-N 2 0 372.513 0.977 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107371351 488517268 /nfs/dbraw/zinc/51/72/68/488517268.db2.gz BDGMZESVCNLZMV-GOSISDBHSA-N 3 0 351.539 0.299 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000109166508 488522434 /nfs/dbraw/zinc/52/24/34/488522434.db2.gz QSHYOILKGMCENV-SFHVURJKSA-N 2 0 369.554 0.404 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558693 488526315 /nfs/dbraw/zinc/52/63/15/488526315.db2.gz HVEDNUXFDMCBDI-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558697 488526562 /nfs/dbraw/zinc/52/65/62/488526562.db2.gz HVEDNUXFDMCBDI-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261687031 488531098 /nfs/dbraw/zinc/53/10/98/488531098.db2.gz CYJRSVFWLVRKLS-GJZGRUSLSA-N 2 0 363.462 0.892 20 0 FCADRP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1OC ZINC000261788598 488536209 /nfs/dbraw/zinc/53/62/09/488536209.db2.gz YSLSLDBHBIYEAP-AWEZNQCLSA-N 2 0 351.447 0.999 20 0 FCADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000261970667 488544001 /nfs/dbraw/zinc/54/40/01/488544001.db2.gz CXFOQXQVILQXNR-CYBMUJFWSA-N 2 0 368.503 0.983 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCC(O)CC3)CC2)CC1 ZINC000569942138 491205112 /nfs/dbraw/zinc/20/51/12/491205112.db2.gz YTQBIJPUROMPJL-UHFFFAOYSA-N 2 0 366.550 0.756 20 0 FCADRP CC1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000262164152 488554791 /nfs/dbraw/zinc/55/47/91/488554791.db2.gz HDOQSZFNPVWDLF-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122072041 488574893 /nfs/dbraw/zinc/57/48/93/488574893.db2.gz KJSHCWFLZPMKHG-SQNIBIBYSA-N 2 0 358.486 0.663 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563079165 491213878 /nfs/dbraw/zinc/21/38/78/491213878.db2.gz CSOKGMDEROQSKQ-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000554585261 491211198 /nfs/dbraw/zinc/21/11/98/491211198.db2.gz XIBHANBVOQNDDH-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000563061554 491211571 /nfs/dbraw/zinc/21/15/71/491211571.db2.gz MJAYQRYEULZZOW-INIZCTEOSA-N 2 0 362.478 0.215 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000263277405 488608871 /nfs/dbraw/zinc/60/88/71/488608871.db2.gz YVKHFHISWVZHDB-ZBFHGGJFSA-N 2 0 354.495 0.236 20 0 FCADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000126539590 488610091 /nfs/dbraw/zinc/61/00/91/488610091.db2.gz VBBBMLJFUMJNKA-QZTJIDSGSA-N 2 0 363.527 0.959 20 0 FCADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127810626 488619915 /nfs/dbraw/zinc/61/99/15/488619915.db2.gz FVMDDUPEWOKNOA-HUUCEWRRSA-N 2 0 354.520 0.881 20 0 FCADRP C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129565926 488631992 /nfs/dbraw/zinc/63/19/92/488631992.db2.gz OHAMIXMWNOTAQZ-PMACEKPBSA-N 2 0 366.550 0.295 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273159370 488635366 /nfs/dbraw/zinc/63/53/66/488635366.db2.gz ZCQGUMLUUANGLO-LPHOPBHVSA-N 2 0 361.486 0.838 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000133308267 488658759 /nfs/dbraw/zinc/65/87/59/488658759.db2.gz WHMMUMOKZHCFHZ-UHFFFAOYSA-N 2 0 364.494 0.764 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000264488702 488678389 /nfs/dbraw/zinc/67/83/89/488678389.db2.gz PFKHQDIKRMZLCT-SJORKVTESA-N 2 0 361.490 0.928 20 0 FCADRP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137121137 488680114 /nfs/dbraw/zinc/68/01/14/488680114.db2.gz YLZKMLRSSCKIQB-IAGOWNOFSA-N 2 0 365.522 0.666 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713898 488702005 /nfs/dbraw/zinc/70/20/05/488702005.db2.gz DZDJYBJGPWQBOZ-FUHWJXTLSA-N 2 0 363.506 0.843 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CNC(=O)C[NH3+])CC1 ZINC000274389722 488703788 /nfs/dbraw/zinc/70/37/88/488703788.db2.gz CVKPRYWBXWQYLV-ZDUSSCGKSA-N 2 0 365.453 0.220 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000151815507 488710168 /nfs/dbraw/zinc/71/01/68/488710168.db2.gz AGVHUABWTCEKGZ-INIZCTEOSA-N 2 0 368.522 0.585 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842940 488718323 /nfs/dbraw/zinc/71/83/23/488718323.db2.gz LJYGMUWIHYXKNG-DLBZAZTESA-N 2 0 351.470 0.973 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nncn1-c1ccccc1 ZINC000153676809 488733992 /nfs/dbraw/zinc/73/39/92/488733992.db2.gz KTMMPILFMDWTMS-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000153929658 488736418 /nfs/dbraw/zinc/73/64/18/488736418.db2.gz GXFQQMNZLGGZMV-QZTJIDSGSA-N 2 0 352.523 0.726 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154048557 488738155 /nfs/dbraw/zinc/73/81/55/488738155.db2.gz FPKRRGJMSDUAHH-CQSZACIVSA-N 2 0 350.467 0.326 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154513991 488743789 /nfs/dbraw/zinc/74/37/89/488743789.db2.gz GKQBHRHMYZTLFP-SFHVURJKSA-N 2 0 352.523 0.774 20 0 FCADRP O=C1N[C@@]2(CCOC2)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277885490 488791560 /nfs/dbraw/zinc/79/15/60/488791560.db2.gz OXSCCWSECFAVEK-GOSISDBHSA-N 2 0 359.430 0.305 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563151962 491222320 /nfs/dbraw/zinc/22/23/20/491222320.db2.gz BJAHOTHETDJQQO-SJORKVTESA-N 2 0 366.506 0.252 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000171212204 488821244 /nfs/dbraw/zinc/82/12/44/488821244.db2.gz FIHWQXHZOQHGBP-GOSISDBHSA-N 2 0 364.490 0.283 20 0 FCADRP C[C@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000172810193 488838225 /nfs/dbraw/zinc/83/82/25/488838225.db2.gz NIMQBUWCTAWSOC-GOSISDBHSA-N 2 0 373.545 0.800 20 0 FCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000174546584 488849862 /nfs/dbraw/zinc/84/98/62/488849862.db2.gz BUDXBLVNFDUKDI-GOSISDBHSA-N 2 0 373.501 0.826 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000563163449 491224627 /nfs/dbraw/zinc/22/46/27/491224627.db2.gz VAIXVZQZAVDFPA-UHFFFAOYSA-N 2 0 353.488 0.531 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175719495 488855265 /nfs/dbraw/zinc/85/52/65/488855265.db2.gz UHDIHFOYIIESJA-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000175798097 488855570 /nfs/dbraw/zinc/85/55/70/488855570.db2.gz LPBKXBMDIPOOKI-GGPKGHCWSA-N 2 0 369.550 0.891 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176013636 488856900 /nfs/dbraw/zinc/85/69/00/488856900.db2.gz HTMXGOLJJSDLLT-SJLPKXTDSA-N 2 0 354.539 0.779 20 0 FCADRP NS(=O)(=O)CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179449467 488861295 /nfs/dbraw/zinc/86/12/95/488861295.db2.gz SZJNQHOXHQRVDY-UHFFFAOYSA-N 2 0 374.551 0.369 20 0 FCADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000180795812 488862373 /nfs/dbraw/zinc/86/23/73/488862373.db2.gz AAWLSCXZTPNATQ-UHFFFAOYSA-N 2 0 364.490 0.408 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809465 491226735 /nfs/dbraw/zinc/22/67/35/491226735.db2.gz RJNPZWWIKFRIJC-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP Cc1ccccc1CN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280703742 489026080 /nfs/dbraw/zinc/02/60/80/489026080.db2.gz IPRNXVLXOZFIRN-HXUWFJFHSA-N 2 0 358.486 0.837 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000570268560 491228713 /nfs/dbraw/zinc/22/87/13/491228713.db2.gz JIBBTRHTXPZGAI-YRPNKDGESA-N 2 0 364.486 0.037 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828700 489034024 /nfs/dbraw/zinc/03/40/24/489034024.db2.gz VSUJYWCIOKEBOC-OXFYSEKESA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1C1CC1 ZINC000289036039 489037416 /nfs/dbraw/zinc/03/74/16/489037416.db2.gz WHMNWSKZZKNFLV-GJZGRUSLSA-N 2 0 362.474 0.911 20 0 FCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000289113787 489042836 /nfs/dbraw/zinc/04/28/36/489042836.db2.gz GRGUPVHJOHAKDF-AWEZNQCLSA-N 2 0 373.457 0.254 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280960265 489044232 /nfs/dbraw/zinc/04/42/32/489044232.db2.gz YRQYKJVHFGEEBU-YLJYHZDGSA-N 2 0 358.486 0.984 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184377 489047273 /nfs/dbraw/zinc/04/72/73/489047273.db2.gz NHXMXPLLHOUFJP-ROUUACIJSA-N 2 0 366.506 0.603 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000289324432 489058563 /nfs/dbraw/zinc/05/85/63/489058563.db2.gz IRRIPWCLBITUKW-UHFFFAOYSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C)nc1 ZINC000330115061 489070411 /nfs/dbraw/zinc/07/04/11/489070411.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 0 359.474 0.634 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cncc(F)c1 ZINC000281602180 489090312 /nfs/dbraw/zinc/09/03/12/489090312.db2.gz BCSPJSAIPJWMTC-UHFFFAOYSA-N 2 0 353.442 0.891 20 0 FCADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570308799 491232514 /nfs/dbraw/zinc/23/25/14/491232514.db2.gz DFFHKUPSISHTOD-KGLIPLIRSA-N 2 0 363.437 0.842 20 0 FCADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290253615 489124608 /nfs/dbraw/zinc/12/46/08/489124608.db2.gz WPPLVCSXAAGMOB-IRXDYDNUSA-N 2 0 361.490 0.416 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)C1=CC[N@H+](C)CC1 ZINC000290760110 489163718 /nfs/dbraw/zinc/16/37/18/489163718.db2.gz ZUSLXZLAIADBSR-GOEBONIOSA-N 2 0 357.458 0.543 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000366553469 489194071 /nfs/dbraw/zinc/19/40/71/489194071.db2.gz GZTSVJVBRGGVDR-QAPCUYQASA-N 2 0 368.522 0.584 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000331371327 489202831 /nfs/dbraw/zinc/20/28/31/489202831.db2.gz AZZIPLJSICYPIZ-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000331381245 489204144 /nfs/dbraw/zinc/20/41/44/489204144.db2.gz FNPUZAHQJSCVGP-YOEHRIQHSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331380431 489204377 /nfs/dbraw/zinc/20/43/77/489204377.db2.gz GGBNVPKMUGCYPB-YYIAUSFCSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331445785 489212809 /nfs/dbraw/zinc/21/28/09/489212809.db2.gz CFYFAJOBPLMXAE-BYNSBNAKSA-N 2 0 352.479 0.158 20 0 FCADRP O=C1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1CCN1CCOCC1 ZINC000297734467 489232150 /nfs/dbraw/zinc/23/21/50/489232150.db2.gz SOORGZZBWFFITQ-GOSISDBHSA-N 2 0 373.501 0.573 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000563391613 491241123 /nfs/dbraw/zinc/24/11/23/491241123.db2.gz XSDBCBFCEYYIGT-UHFFFAOYSA-N 2 0 350.511 0.591 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000369479638 489243239 /nfs/dbraw/zinc/24/32/39/489243239.db2.gz BGHXRJILGQFEEW-DOTOQJQBSA-N 2 0 354.495 0.507 20 0 FCADRP CN1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000332978823 489252910 /nfs/dbraw/zinc/25/29/10/489252910.db2.gz SRJGSVRNEHZTKT-HOTGVXAUSA-N 2 0 352.479 0.356 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208193 489258559 /nfs/dbraw/zinc/25/85/59/489258559.db2.gz BBMLYUCPIHTCMM-RBSFLKMASA-N 2 0 361.494 0.757 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000283664763 489288891 /nfs/dbraw/zinc/28/88/91/489288891.db2.gz DSEXHBALDVRUEN-UHFFFAOYSA-N 2 0 364.490 0.701 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370075982 489313718 /nfs/dbraw/zinc/31/37/18/489313718.db2.gz CUWUBCXMYRUHFK-IRXDYDNUSA-N 2 0 353.511 0.175 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000370271234 489338088 /nfs/dbraw/zinc/33/80/88/489338088.db2.gz RIRDFRXUDNMNLM-UHFFFAOYSA-N 2 0 373.501 0.793 20 0 FCADRP C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370282611 489339365 /nfs/dbraw/zinc/33/93/65/489339365.db2.gz XMXLCJQISQWQMW-VYDXJSESSA-N 2 0 354.495 0.648 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286019499 489347247 /nfs/dbraw/zinc/34/72/47/489347247.db2.gz PCYDSTAEDBQQRL-IAGOWNOFSA-N 2 0 360.458 0.909 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000359962275 489358277 /nfs/dbraw/zinc/35/82/77/489358277.db2.gz UQGUCJUQCCFAPS-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000286529321 489401211 /nfs/dbraw/zinc/40/12/11/489401211.db2.gz PSUYLAMAJQLAKU-AWEZNQCLSA-N 2 0 352.454 0.830 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000286605072 489408952 /nfs/dbraw/zinc/40/89/52/489408952.db2.gz XMCKZXHFSCDGEF-AWEZNQCLSA-N 2 0 365.478 0.095 20 0 FCADRP COC(=O)CNC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363040529 489415295 /nfs/dbraw/zinc/41/52/95/489415295.db2.gz WXAXHLBILPQFDK-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563600910 491257432 /nfs/dbraw/zinc/25/74/32/491257432.db2.gz RJLLTCIMJMHOMQ-JKSUJKDBSA-N 2 0 365.522 0.618 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000363198461 489437165 /nfs/dbraw/zinc/43/71/65/489437165.db2.gz FLXUGUOLQNLHOX-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000371025338 489439359 /nfs/dbraw/zinc/43/93/59/489439359.db2.gz AKRJFKDBSDZKHE-GOSISDBHSA-N 2 0 365.522 0.130 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394466 489462160 /nfs/dbraw/zinc/46/21/60/489462160.db2.gz AQJOZIUNCKAYNK-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292440 489474888 /nfs/dbraw/zinc/47/48/88/489474888.db2.gz BXRKSPGPLIWWIW-KFWWJZLASA-N 2 0 352.479 0.890 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342872 489478538 /nfs/dbraw/zinc/47/85/38/489478538.db2.gz ZYFOBFOIBFWCDF-BZSNNMDCSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000371341994 489478627 /nfs/dbraw/zinc/47/86/27/489478627.db2.gz TVTXRSWHEJIEPZ-UHFFFAOYSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578481 489480814 /nfs/dbraw/zinc/48/08/14/489480814.db2.gz OIJYJHJNEXQORU-ZWKOTPCHSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676696 491256944 /nfs/dbraw/zinc/25/69/44/491256944.db2.gz UZLVNDBRAIXCKZ-VXIBKDFQSA-N 2 0 355.523 0.547 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563595180 491257077 /nfs/dbraw/zinc/25/70/77/491257077.db2.gz PTBRFHBPBRVZRH-KDURUIRLSA-N 2 0 357.502 0.665 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145571 489496910 /nfs/dbraw/zinc/49/69/10/489496910.db2.gz LJEJGBZZWXKXCV-AEFFLSMTSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000423161799 489498436 /nfs/dbraw/zinc/49/84/36/489498436.db2.gz JRJIHSKUODYLNP-WMLDXEAASA-N 2 0 364.465 0.912 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000423165166 489498752 /nfs/dbraw/zinc/49/87/52/489498752.db2.gz APBBRZUNULBWHG-HOCLYGCPSA-N 2 0 364.490 0.922 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000423170290 489499707 /nfs/dbraw/zinc/49/97/07/489499707.db2.gz XSDOIHKXEOOKIH-OAHLLOKOSA-N 2 0 350.463 0.689 20 0 FCADRP C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201017 489501861 /nfs/dbraw/zinc/50/18/61/489501861.db2.gz GYVXYMGKWSTZKV-GOEBONIOSA-N 2 0 354.520 0.929 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423202736 489501926 /nfs/dbraw/zinc/50/19/26/489501926.db2.gz LDXIIPHDYYOALM-ZBFHGGJFSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423204234 489502114 /nfs/dbraw/zinc/50/21/14/489502114.db2.gz DFDUXOBYHBDHQP-QAETUUGQSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000423201277 489502163 /nfs/dbraw/zinc/50/21/63/489502163.db2.gz OICUIPRIAWNGEQ-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423199994 489502259 /nfs/dbraw/zinc/50/22/59/489502259.db2.gz DDMKEICRFRBKPH-CYBMUJFWSA-N 2 0 368.428 0.662 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423200216 489502377 /nfs/dbraw/zinc/50/23/77/489502377.db2.gz DYJFZSFTHMEBCP-CQSZACIVSA-N 2 0 368.428 0.662 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423204620 489502816 /nfs/dbraw/zinc/50/28/16/489502816.db2.gz OBCSFVRBRJJUDS-IBGZPJMESA-N 2 0 364.465 0.913 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423205410 489502937 /nfs/dbraw/zinc/50/29/37/489502937.db2.gz VMGZKJGDGGREIP-SFHVURJKSA-N 2 0 360.502 0.817 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423210114 489503026 /nfs/dbraw/zinc/50/30/26/489503026.db2.gz JSDNJXVUCSYELP-JKSUJKDBSA-N 2 0 356.511 0.387 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423210765 489503042 /nfs/dbraw/zinc/50/30/42/489503042.db2.gz XHTCJBRBXOQVHI-QGZVFWFLSA-N 2 0 364.465 0.926 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423211274 489503342 /nfs/dbraw/zinc/50/33/42/489503342.db2.gz KSJKKFFTGDYPSN-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000423218109 489504129 /nfs/dbraw/zinc/50/41/29/489504129.db2.gz UWOJZYJMKBWTTR-HOCLYGCPSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423219159 489504808 /nfs/dbraw/zinc/50/48/08/489504808.db2.gz WHAUAGSTYGLOSW-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423261569 489508579 /nfs/dbraw/zinc/50/85/79/489508579.db2.gz KEQDXJKIBHKKSH-IYBDPMFKSA-N 2 0 354.495 0.156 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423267130 489509194 /nfs/dbraw/zinc/50/91/94/489509194.db2.gz SUHODSJPBXNSLG-INIZCTEOSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423272834 489509888 /nfs/dbraw/zinc/50/98/88/489509888.db2.gz ZNUMCGJSNKXGNR-HOTGVXAUSA-N 2 0 356.511 0.389 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415310687 489514779 /nfs/dbraw/zinc/51/47/79/489514779.db2.gz XKGFQHAYOPXHDH-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000415404612 489517386 /nfs/dbraw/zinc/51/73/86/489517386.db2.gz NGMRAIJKPRLLBU-OAHLLOKOSA-N 2 0 362.474 0.990 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000415413664 489518010 /nfs/dbraw/zinc/51/80/10/489518010.db2.gz IZXDREMEKNSACP-AWEZNQCLSA-N 2 0 350.463 0.846 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000415413574 489518348 /nfs/dbraw/zinc/51/83/48/489518348.db2.gz IQSOTPQQUITPCM-CYBMUJFWSA-N 2 0 350.463 0.846 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[NH2+]1 ZINC000415425901 489519518 /nfs/dbraw/zinc/51/95/18/489519518.db2.gz DHHXEFOORHOMTH-CYBMUJFWSA-N 2 0 361.446 0.336 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000415448643 489522627 /nfs/dbraw/zinc/52/26/27/489522627.db2.gz VFDMZECBNNQCKJ-QGZVFWFLSA-N 2 0 361.490 0.867 20 0 FCADRP CC1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000451891083 489528771 /nfs/dbraw/zinc/52/87/71/489528771.db2.gz NVKYLJVIWDMTMX-PMACEKPBSA-N 2 0 368.566 0.150 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000415592748 489534018 /nfs/dbraw/zinc/53/40/18/489534018.db2.gz CMHNCCYLZLWQRR-KRWDZBQOSA-N 2 0 360.458 0.450 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1C[NH+](C)C ZINC000415727291 489546723 /nfs/dbraw/zinc/54/67/23/489546723.db2.gz QEMIKWQCZOMELK-SFHVURJKSA-N 2 0 373.501 0.501 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000415753847 489550230 /nfs/dbraw/zinc/55/02/30/489550230.db2.gz YYCZWZMGIXQBNY-LSDHHAIUSA-N 2 0 360.458 0.633 20 0 FCADRP O=C(C[N@H+]1CCC[C@H]1CCO)NCC1(N2CCOCC2)CCCCC1 ZINC000426227698 489559954 /nfs/dbraw/zinc/55/99/54/489559954.db2.gz NJRKXGPSHBZWTJ-KRWDZBQOSA-N 2 0 353.507 0.985 20 0 FCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000415873034 489562429 /nfs/dbraw/zinc/56/24/29/489562429.db2.gz XRQXKNRANDGUHW-SFHVURJKSA-N 2 0 374.485 0.962 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)c1)C1CC1 ZINC000415903061 489564868 /nfs/dbraw/zinc/56/48/68/489564868.db2.gz YNLBOTWAXIQEEA-UHFFFAOYSA-N 2 0 372.469 0.463 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007255 489567277 /nfs/dbraw/zinc/56/72/77/489567277.db2.gz MLCFDHKYNLWMLL-NEPJUHHUSA-N 2 0 365.400 0.214 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(F)(F)F ZINC000416050925 489568387 /nfs/dbraw/zinc/56/83/87/489568387.db2.gz SJWGXNDGLIDWEU-LBPRGKRZSA-N 2 0 367.416 0.558 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426550020 489574281 /nfs/dbraw/zinc/57/42/81/489574281.db2.gz VNRGSMIUZXRKLY-HOTGVXAUSA-N 2 0 354.495 0.120 20 0 FCADRP CN(CC[NH+](C)C)C(=O)CC1(C(=O)N(C)CC[NH+](C)C)CCOCC1 ZINC000426684897 489579688 /nfs/dbraw/zinc/57/96/88/489579688.db2.gz CVQCQGVFYBFLSB-UHFFFAOYSA-N 2 0 356.511 0.213 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000454999337 489584836 /nfs/dbraw/zinc/58/48/36/489584836.db2.gz LXQVUCPQZFPWBN-QGZVFWFLSA-N 2 0 356.511 0.851 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000455661189 489597921 /nfs/dbraw/zinc/59/79/21/489597921.db2.gz TVLZQHGIIIIEPJ-OAHLLOKOSA-N 2 0 352.483 0.803 20 0 FCADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000563725261 491265604 /nfs/dbraw/zinc/26/56/04/491265604.db2.gz KVHMXWXUTKHXMG-YLJYHZDGSA-N 2 0 358.486 0.867 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)n2)CC1 ZINC000427313997 489602504 /nfs/dbraw/zinc/60/25/04/489602504.db2.gz LEQCGEKITCHGDL-GDBMZVCRSA-N 2 0 374.489 0.641 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)C3(C(=O)N4C[C@H]5CC[N@@H+](C)[C@H]5C4)CCC3)C[C@H]21 ZINC000456159596 489608395 /nfs/dbraw/zinc/60/83/95/489608395.db2.gz FPJPZFCECFRYMR-ZYGGUILKSA-N 2 0 360.502 0.482 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728649 491266442 /nfs/dbraw/zinc/26/64/42/491266442.db2.gz ADYGYJMUXRAAAJ-AEFFLSMTSA-N 2 0 358.486 0.628 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591689 489615054 /nfs/dbraw/zinc/61/50/54/489615054.db2.gz MMTCUUGOVFLXLX-BBRMVZONSA-N 2 0 374.489 0.687 20 0 FCADRP COc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000416804006 489629838 /nfs/dbraw/zinc/62/98/38/489629838.db2.gz CTMABKKNCDRYEQ-CABCVRRESA-N 2 0 366.462 0.676 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000416796304 489629887 /nfs/dbraw/zinc/62/98/87/489629887.db2.gz ADUWIPOKOGWDSK-INIZCTEOSA-N 2 0 353.511 0.572 20 0 FCADRP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000416799391 489629912 /nfs/dbraw/zinc/62/99/12/489629912.db2.gz DCUIJEQRPGEBFW-KRWDZBQOSA-N 2 0 367.538 0.959 20 0 FCADRP COc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)cc1 ZINC000416823997 489630845 /nfs/dbraw/zinc/63/08/45/489630845.db2.gz OLLVOJUNUXUHFK-QGZVFWFLSA-N 2 0 350.463 0.795 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000416971290 489637405 /nfs/dbraw/zinc/63/74/05/489637405.db2.gz CRXCZBVANVLMKE-QGZVFWFLSA-N 2 0 350.463 0.805 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000416971572 489637556 /nfs/dbraw/zinc/63/75/56/489637556.db2.gz PUUQISHGDWEOAM-UHFFFAOYSA-N 2 0 363.506 0.722 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417013759 489638486 /nfs/dbraw/zinc/63/84/86/489638486.db2.gz DHYIBTJLNWILIH-UHFFFAOYSA-N 2 0 374.533 0.403 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000555730135 491268472 /nfs/dbraw/zinc/26/84/72/491268472.db2.gz KYSOSDJYAWEQFB-IRXDYDNUSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000555730136 491268530 /nfs/dbraw/zinc/26/85/30/491268530.db2.gz KYSOSDJYAWEQFB-SJORKVTESA-N 2 0 368.522 0.260 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417342191 489648922 /nfs/dbraw/zinc/64/89/22/489648922.db2.gz CKKCOBCYDRYFNR-MRXNPFEDSA-N 2 0 350.463 0.805 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362056 489649293 /nfs/dbraw/zinc/64/92/93/489649293.db2.gz DIXCMVRKEARCFD-IAGOWNOFSA-N 3 0 360.506 0.972 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1[NH3+] ZINC000417383750 489650981 /nfs/dbraw/zinc/65/09/81/489650981.db2.gz KQDZIJUCCNJRPM-FUHWJXTLSA-N 3 0 360.506 0.972 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622628 489651446 /nfs/dbraw/zinc/65/14/46/489651446.db2.gz QNRVSAYNTZHKNI-MSOLQXFVSA-N 2 0 369.554 0.404 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457635109 489652892 /nfs/dbraw/zinc/65/28/92/489652892.db2.gz IXXHDOOGWSFBQK-KRWDZBQOSA-N 2 0 355.527 0.158 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417428357 489652919 /nfs/dbraw/zinc/65/29/19/489652919.db2.gz KUTIEIUCGZWVLI-PMPSAXMXSA-N 2 0 353.511 0.746 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000417460902 489654728 /nfs/dbraw/zinc/65/47/28/489654728.db2.gz RPUSEJVQECIKAM-INIZCTEOSA-N 2 0 350.463 0.805 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000417544385 489657579 /nfs/dbraw/zinc/65/75/79/489657579.db2.gz HMINVMVVRBUTGK-ROUUACIJSA-N 2 0 373.501 0.935 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C1 ZINC000417547882 489658130 /nfs/dbraw/zinc/65/81/30/489658130.db2.gz PQSZWBNUQKJCCV-BDXSIMOUSA-N 2 0 371.485 0.401 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417572043 489658737 /nfs/dbraw/zinc/65/87/37/489658737.db2.gz YACAIIAPPHUQMN-HOCLYGCPSA-N 2 0 353.511 0.746 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417667846 489660839 /nfs/dbraw/zinc/66/08/39/489660839.db2.gz HQMGUJOLRBJSRC-QZTJIDSGSA-N 2 0 369.554 0.718 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417750246 489664250 /nfs/dbraw/zinc/66/42/50/489664250.db2.gz KKZPVIIRNDNPOJ-AEFFLSMTSA-N 2 0 355.527 0.328 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417753358 489664595 /nfs/dbraw/zinc/66/45/95/489664595.db2.gz OLKPJLPTMCDJGY-DLBZAZTESA-N 2 0 356.511 0.883 20 0 FCADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417835586 489668053 /nfs/dbraw/zinc/66/80/53/489668053.db2.gz GJUCKIJLLKNPLH-HZPDHXFCSA-N 2 0 354.495 0.149 20 0 FCADRP Cn1cnc(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000428963165 489668309 /nfs/dbraw/zinc/66/83/09/489668309.db2.gz CKIDBFSYGGEPOP-UHFFFAOYSA-N 2 0 372.477 0.264 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)NCCCN2CC[NH2+]CC2)ccn1 ZINC000417947259 489673269 /nfs/dbraw/zinc/67/32/69/489673269.db2.gz HJUWAJYOYGIQNY-UHFFFAOYSA-N 2 0 364.494 0.117 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067977 489677349 /nfs/dbraw/zinc/67/73/49/489677349.db2.gz CONHRLGJFIOEHY-ZWKOTPCHSA-N 2 0 362.474 0.647 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000418183431 489683681 /nfs/dbraw/zinc/68/36/81/489683681.db2.gz PGVIJSWDHUDGJB-PNRVRQOCSA-N 2 0 353.511 0.743 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461435 489683951 /nfs/dbraw/zinc/68/39/51/489683951.db2.gz PHNLNJXNVMFVST-ZWKOTPCHSA-N 2 0 369.554 0.406 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418305913 489691093 /nfs/dbraw/zinc/69/10/93/489691093.db2.gz PUYZGEXNDUYSNJ-UHFFFAOYSA-N 2 0 351.470 0.804 20 0 FCADRP C[NH2+]CCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418335948 489692859 /nfs/dbraw/zinc/69/28/59/489692859.db2.gz WNLVIJFXCJFMDD-QGZVFWFLSA-N 2 0 360.506 0.845 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418347708 489693431 /nfs/dbraw/zinc/69/34/31/489693431.db2.gz QUHJLASOZAPLHI-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418408813 489696396 /nfs/dbraw/zinc/69/63/96/489696396.db2.gz NCNIKQYXHBQXPP-QZWWFDLISA-N 2 0 365.522 0.794 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000418441653 489697956 /nfs/dbraw/zinc/69/79/56/489697956.db2.gz SDCBBGJBXSSVIO-OAHLLOKOSA-N 2 0 371.526 0.372 20 0 FCADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418512976 489703092 /nfs/dbraw/zinc/70/30/92/489703092.db2.gz LXNAIDXAGIQPKQ-SJORKVTESA-N 2 0 360.506 0.972 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418515397 489703100 /nfs/dbraw/zinc/70/31/00/489703100.db2.gz YHPPPLDJRZYKHK-SJORKVTESA-N 2 0 350.463 0.157 20 0 FCADRP Cc1nc(NC[C@@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000563849061 491272728 /nfs/dbraw/zinc/27/27/28/491272728.db2.gz LDVVKEFIBCYIDU-HOTGVXAUSA-N 2 0 371.533 0.816 20 0 FCADRP COC[C@]1(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000418635079 489713212 /nfs/dbraw/zinc/71/32/12/489713212.db2.gz KDWUGJOPSUHEJI-GOSISDBHSA-N 2 0 355.527 0.422 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418636575 489713587 /nfs/dbraw/zinc/71/35/87/489713587.db2.gz MJLLIYLXVAVJAP-FUHWJXTLSA-N 2 0 373.501 0.903 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000418629720 489713693 /nfs/dbraw/zinc/71/36/93/489713693.db2.gz CNHAEIYEOYBOQK-SJLPKXTDSA-N 2 0 356.511 0.897 20 0 FCADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCCO1 ZINC000418802133 489731013 /nfs/dbraw/zinc/73/10/13/489731013.db2.gz XSPALEMXGNVSEK-QZTJIDSGSA-N 2 0 362.474 0.083 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418801738 489731232 /nfs/dbraw/zinc/73/12/32/489731232.db2.gz JTXTVLUENNQHCO-MRXNPFEDSA-N 2 0 366.506 0.254 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563885269 491275049 /nfs/dbraw/zinc/27/50/49/491275049.db2.gz JDVGMGMQKRSMIR-QGZVFWFLSA-N 2 0 369.473 0.820 20 0 FCADRP O=C(CC[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)N1CC[NH2+]CC1 ZINC000563887986 491275077 /nfs/dbraw/zinc/27/50/77/491275077.db2.gz VZGIUFWWKYUZEJ-UHFFFAOYSA-N 2 0 350.385 0.199 20 0 FCADRP C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459539824 489737961 /nfs/dbraw/zinc/73/79/61/489737961.db2.gz QCVFLVQTUVAHGC-WBVHZDCISA-N 2 0 354.520 0.883 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987083 489739673 /nfs/dbraw/zinc/73/96/73/489739673.db2.gz GJXFNNNIXIVFPF-CVEARBPZSA-N 2 0 368.547 0.484 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000418826542 489740919 /nfs/dbraw/zinc/74/09/19/489740919.db2.gz GDSVPXKYHUTAAK-AWEZNQCLSA-N 2 0 352.504 0.925 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418825607 489741074 /nfs/dbraw/zinc/74/10/74/489741074.db2.gz AHKHFEJZWJTKLJ-INIZCTEOSA-N 2 0 362.474 0.674 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000418830213 489743387 /nfs/dbraw/zinc/74/33/87/489743387.db2.gz FNWZIDNWCOCIEC-RDJZCZTQSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418831494 489744317 /nfs/dbraw/zinc/74/43/17/489744317.db2.gz GKROAMQGKJQHEI-RDJZCZTQSA-N 2 0 374.485 0.898 20 0 FCADRP [NH3+]CCCOC1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000430561629 489746472 /nfs/dbraw/zinc/74/64/72/489746472.db2.gz NFZTUPGFEMSIRS-UHFFFAOYSA-N 2 0 360.502 0.995 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418837666 489748110 /nfs/dbraw/zinc/74/81/10/489748110.db2.gz BBBLKRORYLDBFB-GOSISDBHSA-N 2 0 374.485 0.840 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C)c1 ZINC000418839680 489749795 /nfs/dbraw/zinc/74/97/95/489749795.db2.gz DIJOUPVXRFNTTP-NVXWUHKLSA-N 2 0 364.490 0.904 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418839890 489749977 /nfs/dbraw/zinc/74/99/77/489749977.db2.gz DTYLQAOJSAVYQW-MSOLQXFVSA-N 2 0 374.485 0.434 20 0 FCADRP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430608736 489752049 /nfs/dbraw/zinc/75/20/49/489752049.db2.gz FXAJXEZAJRLEKN-CGZBRXJRSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430607882 489752449 /nfs/dbraw/zinc/75/24/49/489752449.db2.gz ZRKVWPDKUJFJMV-HNNXBMFYSA-N 2 0 373.457 0.479 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000418842263 489752639 /nfs/dbraw/zinc/75/26/39/489752639.db2.gz BEKSDSUJVMGPBT-WMZOPIPTSA-N 2 0 374.485 0.769 20 0 FCADRP Cc1ccc2nc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n2c1 ZINC000430614299 489753508 /nfs/dbraw/zinc/75/35/08/489753508.db2.gz XXWUCFGWZMVWSS-INIZCTEOSA-N 2 0 369.469 0.647 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418847282 489754727 /nfs/dbraw/zinc/75/47/27/489754727.db2.gz HTFIEEOXPMWXAO-SJORKVTESA-N 2 0 362.474 0.372 20 0 FCADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430619248 489754996 /nfs/dbraw/zinc/75/49/96/489754996.db2.gz AHYKPHGPUWDDAE-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418850099 489755192 /nfs/dbraw/zinc/75/51/92/489755192.db2.gz DLSWSBKJAWQLOE-KRWDZBQOSA-N 2 0 360.458 0.380 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC(F)(F)CN)N(C)C ZINC000418849718 489755451 /nfs/dbraw/zinc/75/54/51/489755451.db2.gz NCVAGSCFXZVQQN-LBPRGKRZSA-N 2 0 358.389 0.124 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000418848997 489755823 /nfs/dbraw/zinc/75/58/23/489755823.db2.gz MFYQJYKUXLZIPS-IRXDYDNUSA-N 2 0 374.485 0.802 20 0 FCADRP CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430621721 489756648 /nfs/dbraw/zinc/75/66/48/489756648.db2.gz DWMQUOGUSBRAJF-UHFFFAOYSA-N 2 0 352.504 0.884 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418855851 489759405 /nfs/dbraw/zinc/75/94/05/489759405.db2.gz VSTMPFJOUZAVIN-MSOLQXFVSA-N 2 0 360.502 0.734 20 0 FCADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633294 489759567 /nfs/dbraw/zinc/75/95/67/489759567.db2.gz ZQSWMUYSYFWUPH-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418855264 489759667 /nfs/dbraw/zinc/75/96/67/489759667.db2.gz UPKBUBJWEDAZGK-OKYOBFRVSA-N 2 0 372.513 0.861 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000418858837 489761516 /nfs/dbraw/zinc/76/15/16/489761516.db2.gz KEGINOJXFMSIDX-SJORKVTESA-N 2 0 362.474 0.290 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]1 ZINC000418860683 489762398 /nfs/dbraw/zinc/76/23/98/489762398.db2.gz MBDQVAFHBOSFGQ-KGLIPLIRSA-N 2 0 350.488 0.822 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[NH+](C)C)c1 ZINC000418861531 489762787 /nfs/dbraw/zinc/76/27/87/489762787.db2.gz NGMPCRSSEMYSIR-LXZKKBNFSA-N 2 0 362.474 0.671 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]1 ZINC000418860684 489762830 /nfs/dbraw/zinc/76/28/30/489762830.db2.gz MBDQVAFHBOSFGQ-UONOGXRCSA-N 2 0 350.488 0.822 20 0 FCADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652016 489763790 /nfs/dbraw/zinc/76/37/90/489763790.db2.gz WQIWMAAWPZSEOL-ZFWWWQNUSA-N 2 0 350.438 0.617 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418863597 489764047 /nfs/dbraw/zinc/76/40/47/489764047.db2.gz PMPBCHGPDMYEKM-IRXDYDNUSA-N 2 0 360.458 0.044 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000418864906 489764470 /nfs/dbraw/zinc/76/44/70/489764470.db2.gz RBSXZYOSNDQYCF-WBVHZDCISA-N 2 0 362.474 0.754 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000430697743 489765776 /nfs/dbraw/zinc/76/57/76/489765776.db2.gz XUGPZOUOEPNHDS-QGZVFWFLSA-N 2 0 360.458 0.701 20 0 FCADRP COCC[C@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000430714837 489766847 /nfs/dbraw/zinc/76/68/47/489766847.db2.gz PWAHVBRDVDNXBC-GOSISDBHSA-N 2 0 354.495 0.062 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418868766 489767185 /nfs/dbraw/zinc/76/71/85/489767185.db2.gz WMQURHBMEFDAKW-LXZKKBNFSA-N 2 0 362.474 0.658 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)CC1 ZINC000418873922 489768862 /nfs/dbraw/zinc/76/88/62/489768862.db2.gz YPPXJCUNJBUNQN-OFLPRAFFSA-N 2 0 350.507 0.999 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418873651 489768938 /nfs/dbraw/zinc/76/89/38/489768938.db2.gz IICKKEGSKJTALY-KURKYZTESA-N 2 0 358.486 0.343 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418875047 489769509 /nfs/dbraw/zinc/76/95/09/489769509.db2.gz CMAGATGWEMMEAY-OAHLLOKOSA-N 2 0 354.495 0.381 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418877452 489770777 /nfs/dbraw/zinc/77/07/77/489770777.db2.gz IYEKTAUQENFMGN-PMPSAXMXSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418878998 489771352 /nfs/dbraw/zinc/77/13/52/489771352.db2.gz MVLMNFUEPWSAGQ-GDBMZVCRSA-N 2 0 354.495 0.237 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]2CCCC2)c1 ZINC000418880219 489771967 /nfs/dbraw/zinc/77/19/67/489771967.db2.gz UZFYJZIIPNULTA-KRWDZBQOSA-N 2 0 362.474 0.803 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418881709 489773297 /nfs/dbraw/zinc/77/32/97/489773297.db2.gz RNLUPBUESNESPF-ZOBUZTSGSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430932014 489778928 /nfs/dbraw/zinc/77/89/28/489778928.db2.gz DCPQUYLLAPBQBG-CZUORRHYSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000459891309 489782712 /nfs/dbraw/zinc/78/27/12/489782712.db2.gz BBJJZYCOHJSNQN-IYBDPMFKSA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000459896049 489783788 /nfs/dbraw/zinc/78/37/88/489783788.db2.gz DVIPJZFDQBMHJK-IBGZPJMESA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418912251 489787379 /nfs/dbraw/zinc/78/73/79/489787379.db2.gz DSLCWFZGZCTWHL-VKJFTORMSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000570991090 491278785 /nfs/dbraw/zinc/27/87/85/491278785.db2.gz TXQDWFYYGDVKCC-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418916581 489789929 /nfs/dbraw/zinc/78/99/29/489789929.db2.gz HFMMOPVFSQGJOE-DLBZAZTESA-N 2 0 368.522 0.483 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915238 489790289 /nfs/dbraw/zinc/79/02/89/489790289.db2.gz IBVIXCASPHWLRB-GJRWTSMGSA-N 2 0 368.522 0.842 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919699 489792187 /nfs/dbraw/zinc/79/21/87/489792187.db2.gz KHCBHMVEUZDIDA-HZPDHXFCSA-N 2 0 368.522 0.354 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418930721 489793805 /nfs/dbraw/zinc/79/38/05/489793805.db2.gz DUTGRSFSWQIGJL-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000459921170 489794173 /nfs/dbraw/zinc/79/41/73/489794173.db2.gz OKDVNNFJNAIHPD-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000418937216 489796687 /nfs/dbraw/zinc/79/66/87/489796687.db2.gz FWXKMSGWOVFAJS-GJZGRUSLSA-N 2 0 350.463 0.895 20 0 FCADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000563955695 491279441 /nfs/dbraw/zinc/27/94/41/491279441.db2.gz SUXOJADPIGHMAR-CYBMUJFWSA-N 2 0 358.446 0.833 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418943469 489798596 /nfs/dbraw/zinc/79/85/96/489798596.db2.gz BYBIISUUVNODNC-INIZCTEOSA-N 2 0 374.485 0.598 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000418951832 489802288 /nfs/dbraw/zinc/80/22/88/489802288.db2.gz XZQCIPFMNXWJGF-HUUCEWRRSA-N 2 0 350.463 0.895 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418955405 489803686 /nfs/dbraw/zinc/80/36/86/489803686.db2.gz XXSKUCPKNAIPFZ-XIRDDKMYSA-N 2 0 368.522 0.578 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000418956216 489803824 /nfs/dbraw/zinc/80/38/24/489803824.db2.gz RKISSVFUDVQLED-IXDOHACOSA-N 2 0 366.506 0.081 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCN(CC3CC3)CC2)C[C@H](C)O1 ZINC000459986303 489809513 /nfs/dbraw/zinc/80/95/13/489809513.db2.gz GEDLRBNEZNMIQJ-IYBDPMFKSA-N 2 0 366.506 0.108 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000418984951 489810654 /nfs/dbraw/zinc/81/06/54/489810654.db2.gz FKKIMIOBVRBVEL-OKZBNKHCSA-N 2 0 358.486 0.950 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418988001 489811450 /nfs/dbraw/zinc/81/14/50/489811450.db2.gz RAWLNEUTCNWOFI-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418998951 489813048 /nfs/dbraw/zinc/81/30/48/489813048.db2.gz MVONBOVQXSQAGX-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419005837 489815255 /nfs/dbraw/zinc/81/52/55/489815255.db2.gz RUYBNMBCXXVZMC-QGZVFWFLSA-N 2 0 362.474 0.119 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419017555 489819721 /nfs/dbraw/zinc/81/97/21/489819721.db2.gz BBMYDKFNDRZDGM-XUWVNRHRSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022317 489821803 /nfs/dbraw/zinc/82/18/03/489821803.db2.gz IEOAJWLWHYWBBL-KFWWJZLASA-N 2 0 368.522 0.842 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419025148 489822260 /nfs/dbraw/zinc/82/22/60/489822260.db2.gz LZFVBXPUFCKYDY-GASCZTMLSA-N 2 0 350.507 0.895 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419030257 489825731 /nfs/dbraw/zinc/82/57/31/489825731.db2.gz SVVMWUAXXBMADF-ZHCJQAHYSA-N 2 0 368.522 0.434 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000460034994 489825988 /nfs/dbraw/zinc/82/59/88/489825988.db2.gz FGLROHWOHTVDIG-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@@H](C)C1 ZINC000419035984 489828041 /nfs/dbraw/zinc/82/80/41/489828041.db2.gz FWIDTGMRYJQPTB-YVSFHVDLSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000460039390 489828643 /nfs/dbraw/zinc/82/86/43/489828643.db2.gz XSLDFULMBHDQFQ-MSOLQXFVSA-N 2 0 360.502 0.936 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000419043227 489831547 /nfs/dbraw/zinc/83/15/47/489831547.db2.gz QVCVLURFKPFUOE-IKGGRYGDSA-N 2 0 368.522 0.579 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C1 ZINC000419046086 489832935 /nfs/dbraw/zinc/83/29/35/489832935.db2.gz XLTUFHNTSSWAFX-HZPDHXFCSA-N 2 0 370.538 0.683 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000419046536 489833204 /nfs/dbraw/zinc/83/32/04/489833204.db2.gz VPTKPWJZPWZQLH-UHFFFAOYSA-N 2 0 356.511 0.626 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419046847 489833305 /nfs/dbraw/zinc/83/33/05/489833305.db2.gz RALJBVAKGKNMGN-CRAIPNDOSA-N 2 0 356.470 0.974 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058239 489837199 /nfs/dbraw/zinc/83/71/99/489837199.db2.gz QTVNETSFXLCAAZ-WBVHZDCISA-N 2 0 366.506 0.251 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069169 489843527 /nfs/dbraw/zinc/84/35/27/489843527.db2.gz GBXUQUYREMOEPQ-WBVHZDCISA-N 2 0 362.474 0.754 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000460081673 489846917 /nfs/dbraw/zinc/84/69/17/489846917.db2.gz MHYMAJASNBCGLZ-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551379 489847449 /nfs/dbraw/zinc/84/74/49/489847449.db2.gz DVFYTWLHHGYPQK-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000419076136 489847709 /nfs/dbraw/zinc/84/77/09/489847709.db2.gz PJCOFEVSHFWHEN-AWEZNQCLSA-N 2 0 362.474 0.377 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419081861 489849057 /nfs/dbraw/zinc/84/90/57/489849057.db2.gz ZBYJCOKMUJTNLZ-INIZCTEOSA-N 2 0 358.486 0.835 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920180 491283058 /nfs/dbraw/zinc/28/30/58/491283058.db2.gz CIPGXKFQQMOQDV-IAGOWNOFSA-N 2 0 369.554 0.221 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419103902 489856036 /nfs/dbraw/zinc/85/60/36/489856036.db2.gz GPMHVDNAAFZHMG-GXFFZTMASA-N 2 0 360.380 0.888 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)[NH+](C)C)c1 ZINC000460237825 489856813 /nfs/dbraw/zinc/85/68/13/489856813.db2.gz BLDCOZCKOGZLDC-SJLPKXTDSA-N 2 0 350.463 0.664 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000419106459 489857229 /nfs/dbraw/zinc/85/72/29/489857229.db2.gz JTYOMVWHBHYCIW-ZIAGYGMSSA-N 2 0 372.391 0.902 20 0 FCADRP COc1cccc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000555929972 491284001 /nfs/dbraw/zinc/28/40/01/491284001.db2.gz VQSUMCYRACOABH-OAHLLOKOSA-N 2 0 364.490 0.824 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000419119520 489864526 /nfs/dbraw/zinc/86/45/26/489864526.db2.gz YFUQBSWAGFDVMK-CQSZACIVSA-N 2 0 372.391 0.856 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000460471300 489867074 /nfs/dbraw/zinc/86/70/74/489867074.db2.gz UKLJWVSYBZSJAN-QGZVFWFLSA-N 2 0 359.584 0.949 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCCC1 ZINC000419123561 489867099 /nfs/dbraw/zinc/86/70/99/489867099.db2.gz HBTISGFMFZBTAW-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000433130064 489867815 /nfs/dbraw/zinc/86/78/15/489867815.db2.gz QHSPCFDXGFIXLV-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP COC(=O)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCOCC1 ZINC000433138033 489868193 /nfs/dbraw/zinc/86/81/93/489868193.db2.gz VXYOVBDUIPKOGX-MRXNPFEDSA-N 2 0 355.479 0.522 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCCCCC1 ZINC000419125174 489868885 /nfs/dbraw/zinc/86/88/85/489868885.db2.gz JKNUTGFDXYPHAD-IKGGRYGDSA-N 2 0 350.507 0.824 20 0 FCADRP CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433174622 489871004 /nfs/dbraw/zinc/87/10/04/489871004.db2.gz NPIAYIGXKPJQPN-IAGOWNOFSA-N 2 0 353.507 0.968 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993322 489875744 /nfs/dbraw/zinc/87/57/44/489875744.db2.gz FBRGOAMOFKOWJA-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420012147 489880842 /nfs/dbraw/zinc/88/08/42/489880842.db2.gz ASVSPJZLRJOMGV-KCQAQPDRSA-N 2 0 354.495 0.404 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420015290 489881067 /nfs/dbraw/zinc/88/10/67/489881067.db2.gz LSFUUJTYVYHRPN-QGZVFWFLSA-N 2 0 361.490 0.856 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019199 489882023 /nfs/dbraw/zinc/88/20/23/489882023.db2.gz ZXDAUMISLZTCQQ-DJIMGWMZSA-N 2 0 367.538 0.245 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000460762595 489882452 /nfs/dbraw/zinc/88/24/52/489882452.db2.gz GRXJLFAYLLJDJX-UHFFFAOYSA-N 2 0 370.586 0.537 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433451479 489885568 /nfs/dbraw/zinc/88/55/68/489885568.db2.gz CAQLYIFDMBDPRY-SJORKVTESA-N 2 0 370.538 0.974 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000420028273 489886098 /nfs/dbraw/zinc/88/60/98/489886098.db2.gz DDGBHMFAUAMACP-UAGQMJEPSA-N 2 0 374.485 0.731 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040946 489890973 /nfs/dbraw/zinc/89/09/73/489890973.db2.gz PLYYMMLGWMWBDL-ZFWWWQNUSA-N 2 0 352.479 0.302 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000420058068 489896507 /nfs/dbraw/zinc/89/65/07/489896507.db2.gz DTERSGAQZWVYMP-SJORKVTESA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000420058062 489896908 /nfs/dbraw/zinc/89/69/08/489896908.db2.gz DTERSGAQZWVYMP-DLBZAZTESA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420057887 489896976 /nfs/dbraw/zinc/89/69/76/489896976.db2.gz HYRZIDVRWUYAAZ-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420073064 489903287 /nfs/dbraw/zinc/90/32/87/489903287.db2.gz XYEMBVVXKDKGQE-INMHGKMJSA-N 2 0 366.506 0.332 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420087415 489907235 /nfs/dbraw/zinc/90/72/35/489907235.db2.gz POQXRKICXBDWRY-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097686 489911587 /nfs/dbraw/zinc/91/15/87/489911587.db2.gz AFQJTXLYLKSDQH-WMLDXEAASA-N 2 0 364.465 0.973 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000420112035 489916288 /nfs/dbraw/zinc/91/62/88/489916288.db2.gz XIRDKYSEDYFOPQ-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)CC1 ZINC000420114765 489917328 /nfs/dbraw/zinc/91/73/28/489917328.db2.gz JPYRGHXIYJAOST-ODZFXCKXSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000420141253 489928719 /nfs/dbraw/zinc/92/87/19/489928719.db2.gz ZBSPHNOFSFWSLL-ZFWWWQNUSA-N 2 0 350.463 0.735 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171941 489939625 /nfs/dbraw/zinc/93/96/25/489939625.db2.gz USENZCZYJPPIBR-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000477104201 489943243 /nfs/dbraw/zinc/94/32/43/489943243.db2.gz YSTCKDUKMGGBPJ-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)o1 ZINC000477125108 489944649 /nfs/dbraw/zinc/94/46/49/489944649.db2.gz HETAVGJZTBFQFE-UHFFFAOYSA-N 2 0 373.475 0.713 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420195104 489948533 /nfs/dbraw/zinc/94/85/33/489948533.db2.gz SXJLBYHCNRVTIS-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420197151 489948615 /nfs/dbraw/zinc/94/86/15/489948615.db2.gz LIJYKHKDFWNYLW-DZGCQCFKSA-N 2 0 352.504 0.882 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000462005613 489950047 /nfs/dbraw/zinc/95/00/47/489950047.db2.gz DEEGHYVBQCEHCA-HDICACEKSA-N 2 0 366.550 0.972 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420203050 489950887 /nfs/dbraw/zinc/95/08/87/489950887.db2.gz GMRUPKFJLFQILR-TWMKSMIVSA-N 2 0 350.507 0.824 20 0 FCADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420296904 489960791 /nfs/dbraw/zinc/96/07/91/489960791.db2.gz XOUNWKXHKQTEDP-MRXNPFEDSA-N 2 0 355.479 0.760 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307331 489961587 /nfs/dbraw/zinc/96/15/87/489961587.db2.gz LVLAHSJHBABBNK-NEPJUHHUSA-N 2 0 363.414 0.867 20 0 FCADRP CN1C(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2C1=O ZINC000420325790 489963906 /nfs/dbraw/zinc/96/39/06/489963906.db2.gz BUYGZIVRRKBWDC-BETUJISGSA-N 2 0 356.426 0.782 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335482 489964527 /nfs/dbraw/zinc/96/45/27/489964527.db2.gz VARKIGSUCHJCBR-GVDBMIGSSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345295 489965716 /nfs/dbraw/zinc/96/57/16/489965716.db2.gz ALOYISKPPJQQCR-MOPGFXCFSA-N 2 0 359.518 0.385 20 0 FCADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349297 489966198 /nfs/dbraw/zinc/96/61/98/489966198.db2.gz OJOBBXLEHBDTNW-MAUKXSAKSA-N 2 0 374.485 0.457 20 0 FCADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@H](O)C[NH3+] ZINC000420357678 489967289 /nfs/dbraw/zinc/96/72/89/489967289.db2.gz SHBXGTYNXMBJAP-MRXNPFEDSA-N 2 0 352.504 0.425 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000420392353 489971771 /nfs/dbraw/zinc/97/17/71/489971771.db2.gz PJSDUKOERWEDNN-SZMVWBNQSA-N 2 0 352.523 0.757 20 0 FCADRP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420408874 489972650 /nfs/dbraw/zinc/97/26/50/489972650.db2.gz XEIAICDTHVEXPN-UHFFFAOYSA-N 2 0 355.866 0.963 20 0 FCADRP C[C@H]1CN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H](C)CO1 ZINC000462471683 489977424 /nfs/dbraw/zinc/97/74/24/489977424.db2.gz WPGRURPHFGBYQJ-HOTGVXAUSA-N 2 0 364.556 0.546 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000477626592 489979330 /nfs/dbraw/zinc/97/93/30/489979330.db2.gz LTPVDYPEJZEKCU-CVEARBPZSA-N 2 0 354.495 0.202 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000477650081 489981745 /nfs/dbraw/zinc/98/17/45/489981745.db2.gz XKYIOHRHISIOGZ-AWEZNQCLSA-N 2 0 356.511 0.306 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000477652062 489981806 /nfs/dbraw/zinc/98/18/06/489981806.db2.gz KSIOIRFMFYMXOP-UHFFFAOYSA-N 2 0 370.538 0.791 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000477652478 489981862 /nfs/dbraw/zinc/98/18/62/489981862.db2.gz MNOYMIKXBIOFGQ-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420473202 489983009 /nfs/dbraw/zinc/98/30/09/489983009.db2.gz DGZZEINAJMKIJN-DOMZBBRYSA-N 2 0 357.524 0.667 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000477675402 489984110 /nfs/dbraw/zinc/98/41/10/489984110.db2.gz GNOISISEFVIVHH-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C(=O)NCc1cn(C)nc1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000477806246 489991844 /nfs/dbraw/zinc/99/18/44/489991844.db2.gz LHFCJNFPPXYCGW-ZIAGYGMSSA-N 2 0 352.483 0.655 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887232 489994957 /nfs/dbraw/zinc/99/49/57/489994957.db2.gz ACBYWBNZGKNXAA-XLAORIBOSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1cccs1 ZINC000564100250 491288745 /nfs/dbraw/zinc/28/87/45/491288745.db2.gz CZNBWRVLDHWWNP-FRRDWIJNSA-N 2 0 351.476 0.304 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccs1 ZINC000564100259 491288805 /nfs/dbraw/zinc/28/88/05/491288805.db2.gz CZNBWRVLDHWWNP-RWMBFGLXSA-N 2 0 351.476 0.304 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085947 491293717 /nfs/dbraw/zinc/29/37/17/491293717.db2.gz YSWAXLJQDRGXJJ-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438715871 490036538 /nfs/dbraw/zinc/03/65/38/490036538.db2.gz XSWOTTHMZPPWMR-UHFFFAOYSA-N 2 0 366.510 1.456 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906202 490052403 /nfs/dbraw/zinc/05/24/03/490052403.db2.gz PPDCUSPYDNKRPY-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395848 490059185 /nfs/dbraw/zinc/05/91/85/490059185.db2.gz CDHAAGVIEPABTQ-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000519764888 490079796 /nfs/dbraw/zinc/07/97/96/490079796.db2.gz CUCHGPTYKNVTTC-ROUUACIJSA-N 2 0 370.501 0.786 20 0 FCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289399 491298125 /nfs/dbraw/zinc/29/81/25/491298125.db2.gz ABOVFFAXAPSWJZ-QUCCMNQESA-N 2 0 361.534 0.886 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506440296 490091895 /nfs/dbraw/zinc/09/18/95/490091895.db2.gz UFZFNWBYYLLWJN-UHFFFAOYSA-N 2 0 372.513 0.756 20 0 FCADRP CCc1nncn1CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000545260337 490106477 /nfs/dbraw/zinc/10/64/77/490106477.db2.gz UDVSGCFMOPRVNG-MRXNPFEDSA-N 2 0 365.526 0.898 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677477 490125175 /nfs/dbraw/zinc/12/51/75/490125175.db2.gz CPIQACGNTQKIFU-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000379674820 490126069 /nfs/dbraw/zinc/12/60/69/490126069.db2.gz VKZGNGVWLXJEAD-RDJZCZTQSA-N 2 0 355.504 0.805 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839717 490147512 /nfs/dbraw/zinc/14/75/12/490147512.db2.gz JJUXCQDMSIHEGR-OAGGEKHMSA-N 2 0 353.511 0.711 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556206746 491302916 /nfs/dbraw/zinc/30/29/16/491302916.db2.gz QJWIPJHQHHBWGF-SFHVURJKSA-N 2 0 370.563 0.778 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000465948202 490155932 /nfs/dbraw/zinc/15/59/32/490155932.db2.gz AWVGXMHFRRMICF-HZPDHXFCSA-N 2 0 353.511 0.605 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000422126702 490178272 /nfs/dbraw/zinc/17/82/72/490178272.db2.gz XAJNSMJGACKGCZ-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000446998379 490180975 /nfs/dbraw/zinc/18/09/75/490180975.db2.gz DJSFPMRKUWDKPI-MJGOQNOKSA-N 2 0 357.539 0.889 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000507153977 490181984 /nfs/dbraw/zinc/18/19/84/490181984.db2.gz KZBMPBIWWLPNEQ-UKRRQHHQSA-N 2 0 354.414 0.949 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000571414265 491306633 /nfs/dbraw/zinc/30/66/33/491306633.db2.gz KEVBTTDFFNOBHN-KRWDZBQOSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000520987705 490211994 /nfs/dbraw/zinc/21/19/94/490211994.db2.gz HDJYDYYMJBHKMH-IAGOWNOFSA-N 2 0 355.527 0.014 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000497790942 490217222 /nfs/dbraw/zinc/21/72/22/490217222.db2.gz OBIYNWDJFZQHLK-MRXNPFEDSA-N 2 0 355.504 0.905 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000497852711 490222476 /nfs/dbraw/zinc/22/24/76/490222476.db2.gz KVCQMPDNNWOGQX-IXDOHACOSA-N 2 0 365.522 0.842 20 0 FCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497852712 490222560 /nfs/dbraw/zinc/22/25/60/490222560.db2.gz KVCQMPDNNWOGQX-ZACQAIPSSA-N 2 0 365.522 0.842 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000497852031 490223550 /nfs/dbraw/zinc/22/35/50/490223550.db2.gz HJOSBUZONNQDCD-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C ZINC000571501248 491311609 /nfs/dbraw/zinc/31/16/09/491311609.db2.gz BOXKZURXUOTKQF-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363873 491312309 /nfs/dbraw/zinc/31/23/09/491312309.db2.gz PFEXHRSEBZDBNB-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000521663881 490288134 /nfs/dbraw/zinc/28/81/34/490288134.db2.gz NZUFDDOYUKRNEA-HNNXBMFYSA-N 2 0 353.511 0.888 20 0 FCADRP C[NH+](C)CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000521677058 490290837 /nfs/dbraw/zinc/29/08/37/490290837.db2.gz HKRGBMAZXUTHNG-INIZCTEOSA-N 2 0 362.474 0.697 20 0 FCADRP C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447919335 490294567 /nfs/dbraw/zinc/29/45/67/490294567.db2.gz DSZMEIXXGSXEAR-GDAAHCPNSA-N 2 0 361.486 0.895 20 0 FCADRP OC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000447919158 490294703 /nfs/dbraw/zinc/29/47/03/490294703.db2.gz CYVPBIVJAJMCMY-FGYAAKKASA-N 2 0 364.486 0.946 20 0 FCADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897326 490309645 /nfs/dbraw/zinc/30/96/45/490309645.db2.gz BGJMKTBTVMGNDH-RDJZCZTQSA-N 2 0 361.490 0.476 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)ccn2)CC1 ZINC000467705050 490332213 /nfs/dbraw/zinc/33/22/13/490332213.db2.gz KJDDDPFNJLJEQT-ALOPSCKCSA-N 2 0 371.485 0.264 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484091 490351340 /nfs/dbraw/zinc/35/13/40/490351340.db2.gz BWIWKBXXKMHBSO-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC1=O ZINC000522187722 490351477 /nfs/dbraw/zinc/35/14/77/490351477.db2.gz ZMKRZXZTRGYLSE-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(CNC(=O)c1ccco1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498937857 490368030 /nfs/dbraw/zinc/36/80/30/490368030.db2.gz BNWBVUZAKPRJKL-UHFFFAOYSA-N 2 0 371.441 0.733 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000498955919 490371537 /nfs/dbraw/zinc/37/15/37/490371537.db2.gz IXRSQUMQHXUHCP-INIZCTEOSA-N 2 0 350.507 0.991 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410993827 490378481 /nfs/dbraw/zinc/37/84/81/490378481.db2.gz ZEZSLOLMPTXESF-BZSNNMDCSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000522443411 490378629 /nfs/dbraw/zinc/37/86/29/490378629.db2.gz DUGOFBKWCHSLCS-ULQDDVLXSA-N 2 0 365.522 0.855 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000522443412 490378727 /nfs/dbraw/zinc/37/87/27/490378727.db2.gz DUGOFBKWCHSLCS-ZACQAIPSSA-N 2 0 365.522 0.855 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000468272664 490379461 /nfs/dbraw/zinc/37/94/61/490379461.db2.gz NVAVRRBVZBOKHC-HZRXROBNSA-N 2 0 368.522 0.350 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000411035441 490381481 /nfs/dbraw/zinc/38/14/81/490381481.db2.gz ZEQPLZFIXLSTOE-KRWDZBQOSA-N 2 0 369.554 0.269 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000411147869 490395021 /nfs/dbraw/zinc/39/50/21/490395021.db2.gz YVOLGJUGALUPGH-AWEZNQCLSA-N 2 0 350.463 0.940 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739114 491323946 /nfs/dbraw/zinc/32/39/46/491323946.db2.gz BHGVUVJPFWASBD-OKZBNKHCSA-N 2 0 371.485 0.462 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000509266014 490409218 /nfs/dbraw/zinc/40/92/18/490409218.db2.gz XETGYABOSZPPFB-UHFFFAOYSA-N 2 0 367.538 0.914 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423521 490425978 /nfs/dbraw/zinc/42/59/78/490425978.db2.gz AUXUSDVKDZTUAA-QGZVFWFLSA-N 2 0 370.538 0.976 20 0 FCADRP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C(C)[C@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000449814307 490428707 /nfs/dbraw/zinc/42/87/07/490428707.db2.gz KKDMILJYWYGJJL-BRSBDYLESA-N 2 0 364.534 0.785 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564785798 491326101 /nfs/dbraw/zinc/32/61/01/491326101.db2.gz SICJMBMPDFJHOE-DLBZAZTESA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000535007803 490435394 /nfs/dbraw/zinc/43/53/94/490435394.db2.gz NMLIFYNPRMNPIL-OTWHNJEPSA-N 2 0 363.550 0.393 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000422633594 490436269 /nfs/dbraw/zinc/43/62/69/490436269.db2.gz IODPJAKIBQLIJX-ZJPYXAASSA-N 2 0 354.539 0.765 20 0 FCADRP 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 ZINC000449944334 490438018 /nfs/dbraw/zinc/43/80/18/490438018.db2.gz HLQMMFMOQKKZRX-WNRNVDISSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556663591 491326261 /nfs/dbraw/zinc/32/62/61/491326261.db2.gz HSWSTISSJSTTRC-OAHLLOKOSA-N 2 0 364.490 0.391 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564785799 491326284 /nfs/dbraw/zinc/32/62/84/491326284.db2.gz SICJMBMPDFJHOE-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000571746817 491326457 /nfs/dbraw/zinc/32/64/57/491326457.db2.gz XMDQAYMTXGWSFY-GOSISDBHSA-N 2 0 351.495 0.326 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000571747442 491326565 /nfs/dbraw/zinc/32/65/65/491326565.db2.gz AHQUAMZYAFCPIF-BBWFWOEESA-N 2 0 374.551 0.348 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703486 490457309 /nfs/dbraw/zinc/45/73/09/490457309.db2.gz FMXSQEBYXSJOPE-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000509723937 490458539 /nfs/dbraw/zinc/45/85/39/490458539.db2.gz ZZPZTHWFMRRIFL-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000509739909 490459004 /nfs/dbraw/zinc/45/90/04/490459004.db2.gz WTBNCDZUMCDHCY-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC(=O)N1CCN(CCOc2ccc(CC[NH2+][C@@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000422702157 490459866 /nfs/dbraw/zinc/45/98/66/490459866.db2.gz DGTYSWLJWMEIFD-KRWDZBQOSA-N 2 0 374.529 0.970 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422708284 490462368 /nfs/dbraw/zinc/46/23/68/490462368.db2.gz IUTHDQUOVCPURZ-LSDHHAIUSA-N 2 0 355.508 0.249 20 0 FCADRP CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCCCC1 ZINC000523453786 490467131 /nfs/dbraw/zinc/46/71/31/490467131.db2.gz FCLSFEOYDHWCGT-OAHLLOKOSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+]1CCC[C@@H](CNC(=O)CSCC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000535261028 490471633 /nfs/dbraw/zinc/47/16/33/490471633.db2.gz JDRHTEAVWGGNQO-IYBDPMFKSA-N 2 0 370.563 0.636 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1COCCN1CC1CCC1 ZINC000422777201 490474902 /nfs/dbraw/zinc/47/49/02/490474902.db2.gz FSRRWBDCIOBMJH-KRWDZBQOSA-N 2 0 359.474 0.931 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1COCCN1CC1CCC1 ZINC000422777202 490474969 /nfs/dbraw/zinc/47/49/69/490474969.db2.gz FSRRWBDCIOBMJH-QGZVFWFLSA-N 2 0 359.474 0.931 20 0 FCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909478 490477693 /nfs/dbraw/zinc/47/76/93/490477693.db2.gz SPRCSQBPUANTDF-ZFWWWQNUSA-N 2 0 368.503 0.052 20 0 FCADRP CC(=O)N1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000500057729 490480937 /nfs/dbraw/zinc/48/09/37/490480937.db2.gz BKTHSIHOCMEHQV-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837260 490483734 /nfs/dbraw/zinc/48/37/34/490483734.db2.gz LRUVRSHFTVDYRG-NVXWUHKLSA-N 2 0 354.539 0.970 20 0 FCADRP COc1cnc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)nc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000450775140 490488243 /nfs/dbraw/zinc/48/82/43/490488243.db2.gz FDVYGTNGTYZHKJ-CAOSSQGBSA-N 2 0 358.490 0.766 20 0 FCADRP CN(C)C(=O)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000523853441 490500622 /nfs/dbraw/zinc/50/06/22/490500622.db2.gz NFIMSFDKQHTAEQ-LJQANCHMSA-N 2 0 362.518 0.796 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000523915384 490503190 /nfs/dbraw/zinc/50/31/90/490503190.db2.gz BLEYWHKRGNIVCE-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000422969871 490507883 /nfs/dbraw/zinc/50/78/83/490507883.db2.gz DTBLIUOQARJKJM-ZGUYJTEBSA-N 2 0 358.486 0.929 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980173 490509858 /nfs/dbraw/zinc/50/98/58/490509858.db2.gz OSNHDWJAYBPJAK-SJORKVTESA-N 3 0 355.523 0.990 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000510381833 490512453 /nfs/dbraw/zinc/51/24/53/490512453.db2.gz ZQAXUCWOMLTWPU-BBWFWOEESA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485484245 490533800 /nfs/dbraw/zinc/53/38/00/490533800.db2.gz YOUAOTPQYKSWOI-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485562853 490543520 /nfs/dbraw/zinc/54/35/20/490543520.db2.gz QRTJKKOCEJHIQP-UHFFFAOYSA-N 2 0 373.501 0.967 20 0 FCADRP CCC[C@@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC000500762422 490549808 /nfs/dbraw/zinc/54/98/08/490549808.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 0 356.511 0.849 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1Cn1cncn1 ZINC000548963481 490557368 /nfs/dbraw/zinc/55/73/68/490557368.db2.gz YAALFBDIKALREA-UHFFFAOYSA-N 2 0 373.505 0.961 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000524935577 490570596 /nfs/dbraw/zinc/57/05/96/490570596.db2.gz NWIAFHDOCQULPR-UHFFFAOYSA-N 2 0 353.511 0.522 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000556794335 491336709 /nfs/dbraw/zinc/33/67/09/491336709.db2.gz AAAUZIWGUZFNHR-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3nc4ccccn4c3=O)C2)CC1 ZINC000525171017 490580018 /nfs/dbraw/zinc/58/00/18/490580018.db2.gz LBRXNHKZBPFCTK-QGZVFWFLSA-N 2 0 358.490 0.596 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556796943 491337973 /nfs/dbraw/zinc/33/79/73/491337973.db2.gz CLXPVVUBMGPDPW-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000525302924 490594841 /nfs/dbraw/zinc/59/48/41/490594841.db2.gz ZNBLNHXGFUFVRZ-IRXDYDNUSA-N 2 0 365.522 0.844 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000525302922 490595345 /nfs/dbraw/zinc/59/53/45/490595345.db2.gz ZNBLNHXGFUFVRZ-DLBZAZTESA-N 2 0 365.522 0.844 20 0 FCADRP O=C(NCCCN1CCOCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000549877449 490613607 /nfs/dbraw/zinc/61/36/07/490613607.db2.gz DUFIFQKRHQFIMK-UHFFFAOYSA-N 2 0 366.506 0.302 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000525636282 490616382 /nfs/dbraw/zinc/61/63/82/490616382.db2.gz OKGNCUGSDMGFKF-UHFFFAOYSA-N 2 0 369.510 0.378 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619629 490623935 /nfs/dbraw/zinc/62/39/35/490623935.db2.gz CQXMJFJLEKSDGB-HFTRVMKXSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000501628691 490625793 /nfs/dbraw/zinc/62/57/93/490625793.db2.gz JMUVAUBMDUJJKY-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1[NH+](C)C ZINC000501632858 490628558 /nfs/dbraw/zinc/62/85/58/490628558.db2.gz BJDKZQFWKXDWBJ-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640296 490629384 /nfs/dbraw/zinc/62/93/84/490629384.db2.gz OZRAZTRSCANDNO-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000550132158 490629478 /nfs/dbraw/zinc/62/94/78/490629478.db2.gz BXTTUIZZYLDFDH-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645985 490630728 /nfs/dbraw/zinc/63/07/28/490630728.db2.gz MVKHMZJKRPNDNY-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nc2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2n1C ZINC000525882480 490645312 /nfs/dbraw/zinc/64/53/12/490645312.db2.gz PSASPEKJJVAJAJ-UHFFFAOYSA-N 2 0 374.489 0.772 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550294291 490656626 /nfs/dbraw/zinc/65/66/26/490656626.db2.gz CTYUWPZWUQYYHF-HOCLYGCPSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550319226 490659347 /nfs/dbraw/zinc/65/93/47/490659347.db2.gz JIMXSINVOLKIOP-QGZVFWFLSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486817834 490673695 /nfs/dbraw/zinc/67/36/95/490673695.db2.gz ICOADIYTCKXIEZ-NNOPRSJTSA-N 2 0 364.534 0.925 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556952048 491344774 /nfs/dbraw/zinc/34/47/74/491344774.db2.gz SKJKSGDNTSSOAI-UHFFFAOYSA-N 2 0 362.474 0.745 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000526131706 490677605 /nfs/dbraw/zinc/67/76/05/490677605.db2.gz LQVTXVHBQWUIEA-UHFFFAOYSA-N 2 0 364.446 0.348 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCN1CC[NH+](CC)CC1 ZINC000512363173 490677676 /nfs/dbraw/zinc/67/76/76/490677676.db2.gz PRXSGRUUHFEBSG-IBGZPJMESA-N 3 0 367.582 0.889 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486989799 490684711 /nfs/dbraw/zinc/68/47/11/490684711.db2.gz NLTWVNNVWFHGSY-NCOADZHNSA-N 2 0 352.523 0.737 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512666942 490692759 /nfs/dbraw/zinc/69/27/59/490692759.db2.gz MYBUTJKDLLPNHE-ROUUACIJSA-N 2 0 367.538 0.303 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527124399 490701203 /nfs/dbraw/zinc/70/12/03/490701203.db2.gz PKRMEDDHEJAYLN-HNNXBMFYSA-N 2 0 362.474 0.752 20 0 FCADRP CCn1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C1CC1 ZINC000527124270 490701510 /nfs/dbraw/zinc/70/15/10/490701510.db2.gz RAKKZOIWIXYTSP-UHFFFAOYSA-N 2 0 364.494 0.671 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513242061 490716372 /nfs/dbraw/zinc/71/63/72/490716372.db2.gz XPPSHQURLGQIFE-ULQDDVLXSA-N 2 0 368.522 0.498 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513242059 490716555 /nfs/dbraw/zinc/71/65/55/490716555.db2.gz XPPSHQURLGQIFE-BBWFWOEESA-N 2 0 368.522 0.498 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238484 490716641 /nfs/dbraw/zinc/71/66/41/490716641.db2.gz MXUBHKUVUAMNJD-YVSFHVDLSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238482 490716902 /nfs/dbraw/zinc/71/69/02/490716902.db2.gz MXUBHKUVUAMNJD-TWMKSMIVSA-N 2 0 350.507 0.870 20 0 FCADRP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000487553957 490718118 /nfs/dbraw/zinc/71/81/18/490718118.db2.gz QLSZNTGPTJKRMR-NXNVCVFFSA-N 2 0 350.507 0.441 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)n1 ZINC000527374036 490720752 /nfs/dbraw/zinc/72/07/52/490720752.db2.gz FXEWZHKZERBMAC-UHFFFAOYSA-N 2 0 351.451 0.289 20 0 FCADRP C[N@H+]1CC=C(c2ccc(S(=O)(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000527588280 490748259 /nfs/dbraw/zinc/74/82/59/490748259.db2.gz PXMHSQHMQJVLRH-UHFFFAOYSA-N 2 0 365.499 0.704 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000488249196 490751636 /nfs/dbraw/zinc/75/16/36/490751636.db2.gz KIKFXZRHFIKXPX-HNNXBMFYSA-N 2 0 356.536 0.483 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCOCC1 ZINC000527769954 490758541 /nfs/dbraw/zinc/75/85/41/490758541.db2.gz CBTWFXPNOXWSTE-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000514617632 490776378 /nfs/dbraw/zinc/77/63/78/490776378.db2.gz MMQPTWPTGQSYPN-GOSISDBHSA-N 2 0 360.502 0.830 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663238 490779867 /nfs/dbraw/zinc/77/98/67/490779867.db2.gz HZUGRZLEGQFEDN-GJZGRUSLSA-N 2 0 359.465 0.795 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132686 491355933 /nfs/dbraw/zinc/35/59/33/491355933.db2.gz CZKVXSVYSWLGST-HLLBOEOZSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000514861880 490793454 /nfs/dbraw/zinc/79/34/54/490793454.db2.gz VKTQZMFMUOTUKE-JJRVBVJISA-N 2 0 362.474 0.111 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156137 491356301 /nfs/dbraw/zinc/35/63/01/491356301.db2.gz IEELOITYNQCWHS-UKRRQHHQSA-N 2 0 368.503 0.194 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000514942044 490799181 /nfs/dbraw/zinc/79/91/81/490799181.db2.gz PGXILFCCXCPZML-UHFFFAOYSA-N 2 0 366.893 0.774 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604920 490811789 /nfs/dbraw/zinc/81/17/89/490811789.db2.gz PGQZTFDVLXBULT-XGXHKWSGSA-N 2 0 361.486 0.298 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC000515346945 490820300 /nfs/dbraw/zinc/82/03/00/490820300.db2.gz HCPHOTLHCYCDQX-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC000515346943 490820568 /nfs/dbraw/zinc/82/05/68/490820568.db2.gz HCPHOTLHCYCDQX-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000515528194 490830894 /nfs/dbraw/zinc/83/08/94/490830894.db2.gz PLAUSKYJPUKKOL-IAGOWNOFSA-N 2 0 366.506 0.300 20 0 FCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557237402 491360769 /nfs/dbraw/zinc/36/07/69/491360769.db2.gz QXUGOJDTENBZRD-ZRNYENFQSA-N 2 0 369.513 0.806 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000540965234 490843060 /nfs/dbraw/zinc/84/30/60/490843060.db2.gz QEDUESPIVWBSME-HNNXBMFYSA-N 2 0 365.522 0.879 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529309053 490849882 /nfs/dbraw/zinc/84/98/82/490849882.db2.gz YHAJKTVUQRHQEV-SJORKVTESA-N 2 0 353.511 0.032 20 0 FCADRP C[NH+]1CCC(Nc2nc3c(c(NC4CC[NH+](C)CC4)n2)SCC3)CC1 ZINC000516170315 490853914 /nfs/dbraw/zinc/85/39/14/490853914.db2.gz KFPLJSFWXCFTAX-UHFFFAOYSA-N 2 0 362.547 0.981 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000529337815 490854611 /nfs/dbraw/zinc/85/46/11/490854611.db2.gz KZMDFSUSNIXOQY-CHWSQXEVSA-N 2 0 351.417 0.462 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000529376753 490857935 /nfs/dbraw/zinc/85/79/35/490857935.db2.gz SJUPGRRMJHHZBI-NUJGCVRESA-N 2 0 368.522 0.896 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000529378076 490858292 /nfs/dbraw/zinc/85/82/92/490858292.db2.gz SYLPVZZWKMRGNS-QGZVFWFLSA-N 2 0 354.495 0.509 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000529377340 490858393 /nfs/dbraw/zinc/85/83/93/490858393.db2.gz VDYLOJMGHQZWLK-KZNAEPCWSA-N 2 0 362.474 0.157 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000516591852 490869887 /nfs/dbraw/zinc/86/98/87/490869887.db2.gz BLRBMMXFHONBHK-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000541809488 490872886 /nfs/dbraw/zinc/87/28/86/490872886.db2.gz IUTCDJAVNCAWGY-GOSISDBHSA-N 2 0 363.550 0.252 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660096 490873662 /nfs/dbraw/zinc/87/36/62/490873662.db2.gz KSVYRHAJXLQSSD-HOCLYGCPSA-N 2 0 373.519 0.527 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000541829394 490874276 /nfs/dbraw/zinc/87/42/76/490874276.db2.gz GCCKEEFDNVLNRM-HNNXBMFYSA-N 2 0 362.540 0.479 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000516786821 490878230 /nfs/dbraw/zinc/87/82/30/490878230.db2.gz GWNLHDQRJPFNHR-OWCLPIDISA-N 2 0 351.495 0.452 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000516970998 490888326 /nfs/dbraw/zinc/88/83/26/490888326.db2.gz HQIGQLAPXWSSJT-OALUTQOASA-N 2 0 361.486 0.488 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241527 490895187 /nfs/dbraw/zinc/89/51/87/490895187.db2.gz QNZSUOZJPONMNJ-QAPCUYQASA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241538 490895323 /nfs/dbraw/zinc/89/53/23/490895323.db2.gz QQOVSBDFSRUPCJ-HYVNUMGLSA-N 2 0 366.506 0.189 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000517562157 490912073 /nfs/dbraw/zinc/91/20/73/490912073.db2.gz MRLITXDKRLAZCT-GOSISDBHSA-N 2 0 358.486 0.979 20 0 FCADRP CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000530641487 490917269 /nfs/dbraw/zinc/91/72/69/490917269.db2.gz JVZWBYRGHMJGCL-UHFFFAOYSA-N 2 0 370.519 0.259 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000518004462 490927924 /nfs/dbraw/zinc/92/79/24/490927924.db2.gz UUYRJLIMCPBZOH-JYJNAYRXSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380822 490931213 /nfs/dbraw/zinc/93/12/13/490931213.db2.gz RNSJRDAEMKAOBW-CVEARBPZSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)CN1CC[NH+](C)CC1 ZINC000518366103 490937799 /nfs/dbraw/zinc/93/77/99/490937799.db2.gz STQHNONFBBGVPO-HOTGVXAUSA-N 2 0 374.485 0.117 20 0 FCADRP C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300874 490951405 /nfs/dbraw/zinc/95/14/05/490951405.db2.gz XGKCPJFAUNTEQM-FXAWDEMLSA-N 2 0 361.486 0.708 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797894 490952380 /nfs/dbraw/zinc/95/23/80/490952380.db2.gz YGJZUMCIWSPKEF-DLBZAZTESA-N 2 0 363.506 0.737 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000565256387 491366337 /nfs/dbraw/zinc/36/63/37/491366337.db2.gz ZJURSNJBKHCQBO-BZUAXINKSA-N 2 0 365.522 0.840 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000531356911 490953626 /nfs/dbraw/zinc/95/36/26/490953626.db2.gz SCBZVRGDWYKHTE-OAHLLOKOSA-N 2 0 350.463 0.580 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000544668637 490975130 /nfs/dbraw/zinc/97/51/30/490975130.db2.gz WTRJLVFQMOTVDW-WBVHZDCISA-N 2 0 367.538 0.946 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000531935304 490981271 /nfs/dbraw/zinc/98/12/71/490981271.db2.gz YUEHXSPKPGCUAC-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166127 /nfs/dbraw/zinc/16/61/27/491166127.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 2 0 357.539 0.747 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000553996422 491168746 /nfs/dbraw/zinc/16/87/46/491168746.db2.gz IBIBXCRUTBQQHG-ZSNVMCELSA-N 2 0 365.522 0.852 20 0 FCADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)COC1CCOCC1 ZINC000569568173 491169085 /nfs/dbraw/zinc/16/90/85/491169085.db2.gz GLLHXLMYRMUNMC-NZSAHSFTSA-N 2 0 356.507 0.900 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000562526663 491171767 /nfs/dbraw/zinc/17/17/67/491171767.db2.gz NSBXPFGTINEYTN-OAQYLSRUSA-N 2 0 374.529 0.766 20 0 FCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000572510467 491375524 /nfs/dbraw/zinc/37/55/24/491375524.db2.gz OTBABPLARPYTGK-CYBMUJFWSA-N 2 0 354.476 0.019 20 0 FCADRP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000572524571 491376331 /nfs/dbraw/zinc/37/63/31/491376331.db2.gz YGKDFNPXLBYNNX-AEFFLSMTSA-N 2 0 360.458 0.942 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CCN1C ZINC000660281354 493339415 /nfs/dbraw/zinc/33/94/15/493339415.db2.gz XRIOPDTZOSFLPQ-LSDHHAIUSA-N 2 0 362.478 0.023 20 0 FCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CN1CCN1CCOCC1 ZINC000572990499 491406076 /nfs/dbraw/zinc/40/60/76/491406076.db2.gz CGXANMPRIDOUGI-WJFTUGDTSA-N 2 0 364.534 0.820 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000557952631 491406408 /nfs/dbraw/zinc/40/64/08/491406408.db2.gz CXMVVQKAXUFNFE-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070848 491410371 /nfs/dbraw/zinc/41/03/71/491410371.db2.gz ASXIDAGRMKGRPI-OCCSQVGLSA-N 2 0 350.467 1.384 20 0 FCADRP C[C@@H]1[C@H](C)C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H]1C ZINC000573075273 491410481 /nfs/dbraw/zinc/41/04/81/491410481.db2.gz UIONKRGDZUIQCU-KFWWJZLASA-N 2 0 371.489 0.988 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(F)c1 ZINC000566057681 491414996 /nfs/dbraw/zinc/41/49/96/491414996.db2.gz GUCXXKTYCPBPTC-OAHLLOKOSA-N 2 0 351.426 0.159 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209456 491419387 /nfs/dbraw/zinc/41/93/87/491419387.db2.gz OHVUBKFLHKFVLH-ARFHVFGLSA-N 2 0 354.495 0.202 20 0 FCADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000573221455 491420221 /nfs/dbraw/zinc/42/02/21/491420221.db2.gz DCEFHOYGWUSCGT-IDCNUPLLSA-N 2 0 373.501 0.940 20 0 FCADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000566185376 491423901 /nfs/dbraw/zinc/42/39/01/491423901.db2.gz DBRZRGBZBQMOOO-INIZCTEOSA-N 2 0 362.478 0.215 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000566236638 491428875 /nfs/dbraw/zinc/42/88/75/491428875.db2.gz HUWJZIQRXOQYDD-SDADXPQNSA-N 2 0 354.495 0.113 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H](C)O1 ZINC000558548952 491435394 /nfs/dbraw/zinc/43/53/94/491435394.db2.gz FPAYMZMXIPSMQW-IRXDYDNUSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000566430523 491443243 /nfs/dbraw/zinc/44/32/43/491443243.db2.gz DLSRLKYCMAODGU-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP CCNC(=O)NCCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000566461099 491445485 /nfs/dbraw/zinc/44/54/85/491445485.db2.gz FNKKQSQWJNBOCC-UHFFFAOYSA-N 2 0 353.511 0.618 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512661 491450270 /nfs/dbraw/zinc/45/02/70/491450270.db2.gz NHIUZAAZISOZLG-ROUUACIJSA-N 2 0 371.485 0.736 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000566615490 491456192 /nfs/dbraw/zinc/45/61/92/491456192.db2.gz MKLMWODTLKUUHB-QKLQHJQFSA-N 2 0 358.486 0.710 20 0 FCADRP CCS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566674209 491459685 /nfs/dbraw/zinc/45/96/85/491459685.db2.gz URYFEJNXBVVEIF-MRXNPFEDSA-N 2 0 355.504 0.178 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000573920526 491462890 /nfs/dbraw/zinc/46/28/90/491462890.db2.gz PYESWMPWNHDQJR-GJZGRUSLSA-N 2 0 361.490 0.615 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573932097 491463959 /nfs/dbraw/zinc/46/39/59/491463959.db2.gz BWTSMMYWRJLQEQ-JKSUJKDBSA-N 2 0 368.547 0.660 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566803082 491468068 /nfs/dbraw/zinc/46/80/68/491468068.db2.gz RLMOWBXZLFOZGO-UHFFFAOYSA-N 2 0 368.522 0.533 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000559410602 491470544 /nfs/dbraw/zinc/47/05/44/491470544.db2.gz AEDIPDNMLPBLBN-SFHVURJKSA-N 2 0 360.502 0.876 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439902 491472834 /nfs/dbraw/zinc/47/28/34/491472834.db2.gz HMWJEIHCPRBZML-SJORKVTESA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000559442291 491473477 /nfs/dbraw/zinc/47/34/77/491473477.db2.gz SBPGIWCGVRFZLC-HOTGVXAUSA-N 2 0 356.511 0.306 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000559462714 491475579 /nfs/dbraw/zinc/47/55/79/491475579.db2.gz KPAYOSIBXZDCKZ-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000574167815 491478628 /nfs/dbraw/zinc/47/86/28/491478628.db2.gz UWMNPFUAAKREGN-XMTFNYHQSA-N 2 0 351.539 0.947 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567098800 491485828 /nfs/dbraw/zinc/48/58/28/491485828.db2.gz CENZNVQCFMSELR-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000574326486 491489295 /nfs/dbraw/zinc/48/92/95/491489295.db2.gz CCPVVNVCZBBZES-GOSISDBHSA-N 2 0 374.533 0.589 20 0 FCADRP CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567165134 491489374 /nfs/dbraw/zinc/48/93/74/491489374.db2.gz OPYFIARUUIKUTA-OAHLLOKOSA-N 2 0 362.474 0.697 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567163900 491489454 /nfs/dbraw/zinc/48/94/54/491489454.db2.gz GOHASUCKTAXXHU-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000559744775 491495030 /nfs/dbraw/zinc/49/50/30/491495030.db2.gz CNRUTNLCDYFDIM-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000574484684 491500081 /nfs/dbraw/zinc/50/00/81/491500081.db2.gz REQABNWJYZULTO-KCYZZUKISA-N 2 0 366.506 0.201 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000559867245 491506268 /nfs/dbraw/zinc/50/62/68/491506268.db2.gz FVVDNOBOPOOYNH-CRAIPNDOSA-N 2 0 368.547 0.673 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCN1C ZINC000574598888 491507722 /nfs/dbraw/zinc/50/77/22/491507722.db2.gz DLVLVEXMFXRNGH-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H]1c1cccc(F)c1 ZINC000574637209 491510119 /nfs/dbraw/zinc/51/01/19/491510119.db2.gz TXAQGYJLFDTZNG-HRCADAONSA-N 2 0 358.421 0.736 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000567500026 491510286 /nfs/dbraw/zinc/51/02/86/491510286.db2.gz CRYXEMOCPIZPEW-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C2)C1 ZINC000560150991 491521208 /nfs/dbraw/zinc/52/12/08/491521208.db2.gz DMYMPWIPKVCCFM-LJQANCHMSA-N 2 0 374.489 0.643 20 0 FCADRP CN(C[C@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725659 491525174 /nfs/dbraw/zinc/52/51/74/491525174.db2.gz DKMQJRYGKYJTNS-QGZVFWFLSA-N 2 0 354.539 0.658 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000567736040 491526043 /nfs/dbraw/zinc/52/60/43/491526043.db2.gz CCTQIIYIWIBMNF-CVEARBPZSA-N 2 0 361.490 0.752 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000567736041 491526054 /nfs/dbraw/zinc/52/60/54/491526054.db2.gz CCTQIIYIWIBMNF-HOTGVXAUSA-N 2 0 361.490 0.752 20 0 FCADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000575026713 491534458 /nfs/dbraw/zinc/53/44/58/491534458.db2.gz RKCVDONIDQCMAA-YJBOKZPZSA-N 2 0 361.490 0.717 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038291 491535414 /nfs/dbraw/zinc/53/54/14/491535414.db2.gz LTEHPTVZIYHRGJ-QWHCGFSZSA-N 2 0 351.417 0.558 20 0 FCADRP CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000560637404 491548190 /nfs/dbraw/zinc/54/81/90/491548190.db2.gz JDYWJEWCLDPSRS-UHFFFAOYSA-N 2 0 371.913 0.589 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000568061212 491551147 /nfs/dbraw/zinc/55/11/47/491551147.db2.gz ONFODLPNCWEZRP-MRXNPFEDSA-N 2 0 358.486 0.748 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000560666160 491551373 /nfs/dbraw/zinc/55/13/73/491551373.db2.gz GWPVJBBFXXYLLI-HNNXBMFYSA-N 2 0 362.449 0.856 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000568292321 491567530 /nfs/dbraw/zinc/56/75/30/491567530.db2.gz KFGHTBUBVBGASX-CQSZACIVSA-N 2 0 352.504 0.884 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3n2)C1 ZINC000668422157 493351347 /nfs/dbraw/zinc/35/13/47/493351347.db2.gz RQQDZWSNULVNSQ-OAHLLOKOSA-N 2 0 357.458 0.982 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000576015912 491576466 /nfs/dbraw/zinc/57/64/66/491576466.db2.gz FOMXRPGYELZSTB-TVFCKZIOSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136142 491578028 /nfs/dbraw/zinc/57/80/28/491578028.db2.gz AUKQWAQOOXONED-GVDBMIGSSA-N 2 0 363.506 0.467 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000561147413 491578620 /nfs/dbraw/zinc/57/86/20/491578620.db2.gz CXQBMTSEHMXOTP-GOSISDBHSA-N 2 0 361.490 0.173 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000561176690 491580159 /nfs/dbraw/zinc/58/01/59/491580159.db2.gz WOPZRNCEWUERGN-CABCVRRESA-N 2 0 366.506 0.297 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000584399792 491586591 /nfs/dbraw/zinc/58/65/91/491586591.db2.gz UOQYREZCIMORPJ-OAHLLOKOSA-N 2 0 351.426 0.159 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@H]1[NH3+] ZINC000577085003 491588851 /nfs/dbraw/zinc/58/88/51/491588851.db2.gz QKHMMDBMPMHLGK-HUUCEWRRSA-N 2 0 368.547 0.660 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000584519497 491599155 /nfs/dbraw/zinc/59/91/55/491599155.db2.gz RHVXJXSBNJZAGO-MRXNPFEDSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584519496 491599177 /nfs/dbraw/zinc/59/91/77/491599177.db2.gz RHVXJXSBNJZAGO-INIZCTEOSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520256 491599750 /nfs/dbraw/zinc/59/97/50/491599750.db2.gz LKKKHMAQMYSETJ-ZIAGYGMSSA-N 2 0 352.479 0.302 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000576399789 491611516 /nfs/dbraw/zinc/61/15/16/491611516.db2.gz PZJRIFDQWVIZPY-GJZGRUSLSA-N 2 0 373.900 0.828 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000568857694 491613841 /nfs/dbraw/zinc/61/38/41/491613841.db2.gz MBNPZZQRODGNHU-FUHIMQAGSA-N 2 0 368.566 0.605 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000568858943 491614542 /nfs/dbraw/zinc/61/45/42/491614542.db2.gz WTOISFVTYOKWKB-UHFFFAOYSA-N 2 0 373.501 0.716 20 0 FCADRP N[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000576461674 491616901 /nfs/dbraw/zinc/61/69/01/491616901.db2.gz FFZPUJPJLPAVFY-MRXNPFEDSA-N 2 0 360.487 0.866 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000568915979 491619647 /nfs/dbraw/zinc/61/96/47/491619647.db2.gz WTTGGNXXEIHKJU-IKGGRYGDSA-N 2 0 365.522 0.842 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000561596748 491620090 /nfs/dbraw/zinc/62/00/90/491620090.db2.gz PAORIHGSBYLRAI-HNNXBMFYSA-N 2 0 368.522 0.545 20 0 FCADRP CC1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000577502073 491626913 /nfs/dbraw/zinc/62/69/13/491626913.db2.gz RWRMRFBGESVHRJ-OAHLLOKOSA-N 2 0 351.495 0.230 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554958 491632226 /nfs/dbraw/zinc/63/22/26/491632226.db2.gz NSMQUCCHWVKXKV-JKSUJKDBSA-N 2 0 366.506 0.370 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000576704621 491637817 /nfs/dbraw/zinc/63/78/17/491637817.db2.gz ZJTCPGHMPAMLHA-UHFFFAOYSA-N 3 0 353.555 0.308 20 0 FCADRP COC(=O)c1cc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000561953675 491642059 /nfs/dbraw/zinc/64/20/59/491642059.db2.gz XGIPOQCJQKFEJN-HNNXBMFYSA-N 2 0 350.463 0.844 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000576787468 491645112 /nfs/dbraw/zinc/64/51/12/491645112.db2.gz ZZSPEQDHIYPRGH-HOCLYGCPSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000569330650 491652498 /nfs/dbraw/zinc/65/24/98/491652498.db2.gz VANDKHYEQACVGA-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798403 491653271 /nfs/dbraw/zinc/65/32/71/491653271.db2.gz PCGHDFSDBOKENK-YOEHRIQHSA-N 2 0 366.506 0.155 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576959179 491660117 /nfs/dbraw/zinc/66/01/17/491660117.db2.gz XWVBKCCKCLQDIA-BZUAXINKSA-N 2 0 351.495 0.594 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576959180 491660349 /nfs/dbraw/zinc/66/03/49/491660349.db2.gz XWVBKCCKCLQDIA-OAGGEKHMSA-N 2 0 351.495 0.594 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576987027 491662975 /nfs/dbraw/zinc/66/29/75/491662975.db2.gz STJLCKNYAKUFIJ-OALUTQOASA-N 2 0 357.502 0.800 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000576999395 491663328 /nfs/dbraw/zinc/66/33/28/491663328.db2.gz WNVDJPVNMRXDGX-QGZVFWFLSA-N 2 0 368.522 0.533 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000577955749 491665619 /nfs/dbraw/zinc/66/56/19/491665619.db2.gz GREGELHLQLWFTJ-SJLPKXTDSA-N 3 0 352.523 0.805 20 0 FCADRP CN1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000578051353 491668761 /nfs/dbraw/zinc/66/87/61/491668761.db2.gz SCUZGMMXYZIJSR-LJQANCHMSA-N 2 0 374.533 0.483 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)ccc21 ZINC000578068509 491669054 /nfs/dbraw/zinc/66/90/54/491669054.db2.gz HBQGWZSCVBRXEJ-UHFFFAOYSA-N 2 0 368.445 0.770 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCOCC1 ZINC000578122383 491670315 /nfs/dbraw/zinc/67/03/15/491670315.db2.gz AMCXJUKGGGUWBA-CVEARBPZSA-N 2 0 354.495 0.047 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000578122450 491670476 /nfs/dbraw/zinc/67/04/76/491670476.db2.gz NGNHVQLHYICYLD-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000578135031 491670742 /nfs/dbraw/zinc/67/07/42/491670742.db2.gz OCWSMVPUFNTORX-QGZVFWFLSA-N 2 0 363.510 0.363 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000578301045 491674110 /nfs/dbraw/zinc/67/41/10/491674110.db2.gz DOSTXOJECHXJLY-UHFFFAOYSA-N 2 0 372.473 0.967 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000578731753 491683038 /nfs/dbraw/zinc/68/30/38/491683038.db2.gz YTKVGAMZQXJPJW-IRXDYDNUSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C[C@H]1[NH3+] ZINC000578738653 491683162 /nfs/dbraw/zinc/68/31/62/491683162.db2.gz JTFDGMJRVSZZOQ-BLIXFSHQSA-N 2 0 370.497 0.917 20 0 FCADRP COCCCn1nccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000579109651 491691137 /nfs/dbraw/zinc/69/11/37/491691137.db2.gz WIMJLHZBIHWXLK-SJLPKXTDSA-N 2 0 363.506 1.000 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)CC[NH2+]CC2 ZINC000579464474 491698239 /nfs/dbraw/zinc/69/82/39/491698239.db2.gz TYTYUPKNPUDETR-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855909 491707041 /nfs/dbraw/zinc/70/70/41/491707041.db2.gz HEYNJGDMMLGCCQ-MSOLQXFVSA-N 2 0 352.523 0.580 20 0 FCADRP CN(C)CCN(CCN(C)C)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000579927729 491709520 /nfs/dbraw/zinc/70/95/20/491709520.db2.gz BWURWRJDLSWBSF-UHFFFAOYSA-N 2 0 350.529 0.335 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000579952820 491710724 /nfs/dbraw/zinc/71/07/24/491710724.db2.gz QWDONJWAUWJYGQ-CABCVRRESA-N 2 0 364.490 0.827 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000579956652 491711085 /nfs/dbraw/zinc/71/10/85/491711085.db2.gz PNOQBWLGDGCJFY-SFHVURJKSA-N 2 0 374.485 0.698 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781704 491714300 /nfs/dbraw/zinc/71/43/00/491714300.db2.gz OOGLTJXPRGIBIX-IRXDYDNUSA-N 2 0 374.485 0.886 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584793678 491714874 /nfs/dbraw/zinc/71/48/74/491714874.db2.gz RLQLKXCOAZFZOH-DDBAPUKQSA-N 2 0 371.485 0.460 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000580125769 491718678 /nfs/dbraw/zinc/71/86/78/491718678.db2.gz ZUYDABXLIXAAFL-UWWQBHOKSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172804 491720080 /nfs/dbraw/zinc/72/00/80/491720080.db2.gz ZXAAZFKGCLKMLB-NVXWUHKLSA-N 2 0 359.474 0.553 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172806 491720195 /nfs/dbraw/zinc/72/01/95/491720195.db2.gz ZXAAZFKGCLKMLB-WBVHZDCISA-N 2 0 359.474 0.553 20 0 FCADRP Cc1cc(=O)n2nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)sc2n1 ZINC000580240524 491722906 /nfs/dbraw/zinc/72/29/06/491722906.db2.gz OIINLKYXEYCQAC-UHFFFAOYSA-N 2 0 352.508 0.775 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301670 491724741 /nfs/dbraw/zinc/72/47/41/491724741.db2.gz HBLRNPNANDPXDN-CVEARBPZSA-N 2 0 366.506 0.012 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000580419860 491730467 /nfs/dbraw/zinc/73/04/67/491730467.db2.gz LVIORLGDJIFINE-UHFFFAOYSA-N 2 0 355.552 0.552 20 0 FCADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580421828 491730600 /nfs/dbraw/zinc/73/06/00/491730600.db2.gz QOKNLAPOQHDWAB-HOTGVXAUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000580530962 491734536 /nfs/dbraw/zinc/73/45/36/491734536.db2.gz JYCUOWBBOCOZOW-CRAIPNDOSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000580538436 491735101 /nfs/dbraw/zinc/73/51/01/491735101.db2.gz HFYRFJSLTAIHAC-JSGCOSHPSA-N 2 0 350.488 0.820 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000580548449 491735593 /nfs/dbraw/zinc/73/55/93/491735593.db2.gz XWXKTJSZFUAHGK-KRWDZBQOSA-N 2 0 362.474 0.154 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580634900 491739682 /nfs/dbraw/zinc/73/96/82/491739682.db2.gz SRNKBGLYIMWHPB-KDURUIRLSA-N 2 0 370.497 0.693 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000580763231 491744497 /nfs/dbraw/zinc/74/44/97/491744497.db2.gz CFOBXDJGCGGHTH-SJORKVTESA-N 2 0 365.522 0.572 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580812446 491746874 /nfs/dbraw/zinc/74/68/74/491746874.db2.gz WTXNQNXATHYUBB-VDGAXYAQSA-N 2 0 374.529 0.762 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000589220986 491757743 /nfs/dbraw/zinc/75/77/43/491757743.db2.gz WSCWMSWTLKJVMP-CVEARBPZSA-N 2 0 355.527 0.959 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220995 491757779 /nfs/dbraw/zinc/75/77/79/491757779.db2.gz WSCWMSWTLKJVMP-JKSUJKDBSA-N 2 0 355.527 0.959 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000581203032 491763685 /nfs/dbraw/zinc/76/36/85/491763685.db2.gz ITXPRPMCZCBTPU-ZBFHGGJFSA-N 2 0 363.437 0.341 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000581261001 491766335 /nfs/dbraw/zinc/76/63/35/491766335.db2.gz HDHHRKPPNZPLGV-UHFFFAOYSA-N 2 0 350.463 0.093 20 0 FCADRP C[NH+](C)CC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000590125589 491770154 /nfs/dbraw/zinc/77/01/54/491770154.db2.gz AWAMKUQGVDQGSX-UHFFFAOYSA-N 2 0 362.474 0.838 20 0 FCADRP Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)CC2)c1 ZINC000581415285 491771833 /nfs/dbraw/zinc/77/18/33/491771833.db2.gz KYMWZGRDDWZBBF-UHFFFAOYSA-N 2 0 373.501 0.981 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000581408455 491771883 /nfs/dbraw/zinc/77/18/83/491771883.db2.gz QTYNYNLLZYJONU-UHFFFAOYSA-N 2 0 369.554 0.547 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000581548342 491777285 /nfs/dbraw/zinc/77/72/85/491777285.db2.gz DNLKSHXWQBOGMF-KBPBESRZSA-N 2 0 350.463 0.485 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cn(CC[NH3+])nn1 ZINC000581619102 491780194 /nfs/dbraw/zinc/78/01/94/491780194.db2.gz YAMSZEPBXHVMEZ-UHFFFAOYSA-N 2 0 352.389 0.719 20 0 FCADRP CNS(=O)(=O)c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000660560474 493361413 /nfs/dbraw/zinc/36/14/13/493361413.db2.gz KWRYNLWIPREZNN-UHFFFAOYSA-N 2 0 356.536 0.910 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)C2)CC1 ZINC000581665987 491782036 /nfs/dbraw/zinc/78/20/36/491782036.db2.gz SIZSGTVAUPKYHW-KRWDZBQOSA-N 2 0 351.539 0.297 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000581940541 491791013 /nfs/dbraw/zinc/79/10/13/491791013.db2.gz OYYOJLRAAQWXHH-ZWKOTPCHSA-N 2 0 374.485 0.817 20 0 FCADRP O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000582053264 491795892 /nfs/dbraw/zinc/79/58/92/491795892.db2.gz SXKXLGTXQIJTKI-ZDUSSCGKSA-N 2 0 368.384 0.926 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000591085585 491795866 /nfs/dbraw/zinc/79/58/66/491795866.db2.gz MCYWXTXXLJLYKP-UHFFFAOYSA-N 2 0 371.503 0.962 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582122838 491798711 /nfs/dbraw/zinc/79/87/11/491798711.db2.gz GOBRPKBXEBUKSA-DLBZAZTESA-N 2 0 374.485 0.488 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000591413909 491805204 /nfs/dbraw/zinc/80/52/04/491805204.db2.gz ZIOWILHYSGQHJB-OAGGEKHMSA-N 2 0 351.495 0.500 20 0 FCADRP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000591448478 491806023 /nfs/dbraw/zinc/80/60/23/491806023.db2.gz IRWMGCYZCVVVSO-QGZVFWFLSA-N 2 0 359.474 0.382 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000582406319 491811079 /nfs/dbraw/zinc/81/10/79/491811079.db2.gz VAIZOWOGBGCAKD-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424162 491811857 /nfs/dbraw/zinc/81/18/57/491811857.db2.gz XQPCMTDQQAXODS-SFHVURJKSA-N 2 0 364.465 0.914 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000582487165 491814437 /nfs/dbraw/zinc/81/44/37/491814437.db2.gz YBHVTVONMNVMBW-JONQDZQNSA-N 2 0 356.511 0.482 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000582653475 491821390 /nfs/dbraw/zinc/82/13/90/491821390.db2.gz DUAVEXWNHJNBBA-HNNXBMFYSA-N 2 0 362.474 0.744 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000582846341 491829285 /nfs/dbraw/zinc/82/92/85/491829285.db2.gz JKSXHXJMWLDBCS-ROUUACIJSA-N 2 0 370.501 0.492 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991072 491835659 /nfs/dbraw/zinc/83/56/59/491835659.db2.gz XLSHOIYZHTZLKI-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000583045812 491837004 /nfs/dbraw/zinc/83/70/04/491837004.db2.gz URRWPBRBRVXAHI-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1Cn1ccnc1 ZINC000583371484 491843503 /nfs/dbraw/zinc/84/35/03/491843503.db2.gz PXHDDQLWZRGCHC-KBPBESRZSA-N 2 0 374.411 0.893 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000583555158 491847312 /nfs/dbraw/zinc/84/73/12/491847312.db2.gz GKSAIMJQXRCMJN-APIJFGDWSA-N 2 0 352.479 0.301 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC000583624332 491848691 /nfs/dbraw/zinc/84/86/91/491848691.db2.gz JBTPHLVKVBDNLG-KRWDZBQOSA-N 2 0 363.462 0.869 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC000583624333 491848819 /nfs/dbraw/zinc/84/88/19/491848819.db2.gz JBTPHLVKVBDNLG-QGZVFWFLSA-N 2 0 363.462 0.869 20 0 FCADRP O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802433 491852200 /nfs/dbraw/zinc/85/22/00/491852200.db2.gz IIOFXCAKYTUDAJ-TWMKSMIVSA-N 2 0 364.490 0.099 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000583859058 491853510 /nfs/dbraw/zinc/85/35/10/491853510.db2.gz YYFYWWZLIIXDJM-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008467 491856538 /nfs/dbraw/zinc/85/65/38/491856538.db2.gz SRWKCQWRFQMCQY-QAPCUYQASA-N 2 0 370.563 0.921 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000584099141 491858344 /nfs/dbraw/zinc/85/83/44/491858344.db2.gz CNTNMBDVICTBHN-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000584349041 491863620 /nfs/dbraw/zinc/86/36/20/491863620.db2.gz YYPLTPMSSWXXCL-PASDCYSWSA-N 2 0 353.507 0.728 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000611651036 491865664 /nfs/dbraw/zinc/86/56/64/491865664.db2.gz UASRGAVNSSLQAY-ZOBUZTSGSA-N 2 0 350.507 0.822 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594885714 491871224 /nfs/dbraw/zinc/87/12/24/491871224.db2.gz DHCCJRXMAGNCRF-ZWKOTPCHSA-N 2 0 371.485 0.213 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000601369155 491909624 /nfs/dbraw/zinc/90/96/24/491909624.db2.gz CGOZEKZGASJBFP-GOSISDBHSA-N 2 0 372.579 0.902 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271356 491909745 /nfs/dbraw/zinc/90/97/45/491909745.db2.gz QTQIAFXXOVLZDZ-VVLHAWIVSA-N 2 0 357.458 0.086 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612444577 491918497 /nfs/dbraw/zinc/91/84/97/491918497.db2.gz NRFKEZJKGLGXJS-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612485779 491924876 /nfs/dbraw/zinc/92/48/76/491924876.db2.gz JESZRHNLQIKZLT-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612593144 491936221 /nfs/dbraw/zinc/93/62/21/491936221.db2.gz YBOQVZJTXLARAY-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612595707 491936748 /nfs/dbraw/zinc/93/67/48/491936748.db2.gz KCWGLLMPZMMOBM-IRXDYDNUSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612598764 491937679 /nfs/dbraw/zinc/93/76/79/491937679.db2.gz IYOOSHXBEFOMOT-SJORKVTESA-N 2 0 366.506 0.345 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612772817 491949940 /nfs/dbraw/zinc/94/99/40/491949940.db2.gz JSOHFRXAPUKZIJ-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612780002 491950272 /nfs/dbraw/zinc/95/02/72/491950272.db2.gz CJWDPRULDILPMY-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000602019501 491957648 /nfs/dbraw/zinc/95/76/48/491957648.db2.gz FJIONCCOTVZVKG-NGOJXBLDSA-N 2 0 361.442 0.898 20 0 FCADRP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896743 491959797 /nfs/dbraw/zinc/95/97/97/491959797.db2.gz WYCIKPJPXWRKRS-XUWVNRHRSA-N 2 0 353.463 0.369 20 0 FCADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)on1 ZINC000602542372 491992786 /nfs/dbraw/zinc/99/27/86/491992786.db2.gz TVBJNKOMWIUTFB-UHFFFAOYSA-N 2 0 374.445 0.943 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000596843673 492002337 /nfs/dbraw/zinc/00/23/37/492002337.db2.gz HSGZPHYTVWHYDF-HZPDHXFCSA-N 2 0 354.495 0.853 20 0 FCADRP COCC(=O)NC1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000603932989 492047392 /nfs/dbraw/zinc/04/73/92/492047392.db2.gz CJUOQURMZAXAMV-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C1([NH+](C)C)CC1 ZINC000614865065 492061276 /nfs/dbraw/zinc/06/12/76/492061276.db2.gz IEUYUJCCCYXDIE-UHFFFAOYSA-N 2 0 372.469 0.767 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604646562 492066115 /nfs/dbraw/zinc/06/61/15/492066115.db2.gz YTGXBEWKMAPBBD-DLBZAZTESA-N 2 0 355.527 0.422 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668606 492067756 /nfs/dbraw/zinc/06/77/56/492067756.db2.gz GTCBHXKEASZKTI-SFHVURJKSA-N 2 0 367.538 0.376 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000598253213 492090237 /nfs/dbraw/zinc/09/02/37/492090237.db2.gz IYEGAFTVMHNQCN-CVEARBPZSA-N 2 0 351.495 0.465 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000605852969 492104300 /nfs/dbraw/zinc/10/43/00/492104300.db2.gz WMYCZHBBYDACSS-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000605989921 492110200 /nfs/dbraw/zinc/11/02/00/492110200.db2.gz UPAGODKPYCQHKJ-UHFFFAOYSA-N 2 0 363.462 0.583 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633826 492125334 /nfs/dbraw/zinc/12/53/34/492125334.db2.gz WMWLPQNTXPGUQO-IAGOWNOFSA-N 2 0 355.527 0.278 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000599156447 492138277 /nfs/dbraw/zinc/13/82/77/492138277.db2.gz CXMKGKUJJFEGHN-HOTGVXAUSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000599156448 492138398 /nfs/dbraw/zinc/13/83/98/492138398.db2.gz CXMKGKUJJFEGHN-HZPDHXFCSA-N 2 0 354.495 0.997 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000607229758 492141893 /nfs/dbraw/zinc/14/18/93/492141893.db2.gz IOJMYHVRBHKORV-UHFFFAOYSA-N 3 0 356.559 0.147 20 0 FCADRP COCCCOC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608017079 492162625 /nfs/dbraw/zinc/16/26/25/492162625.db2.gz HLABOSSGNFGDGE-MRXNPFEDSA-N 2 0 355.479 0.583 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000608691080 492187460 /nfs/dbraw/zinc/18/74/60/492187460.db2.gz SQRTWRIGDVERQX-HOTGVXAUSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000608708516 492188556 /nfs/dbraw/zinc/18/85/56/492188556.db2.gz MYBZCCYIOHQMFW-QGZVFWFLSA-N 2 0 360.506 0.797 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000617760835 492190097 /nfs/dbraw/zinc/19/00/97/492190097.db2.gz HQKLEMZBOQEWCB-SYMSYNOKSA-N 2 0 356.511 0.447 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000610013043 492231512 /nfs/dbraw/zinc/23/15/12/492231512.db2.gz PSCSJNQXXJIIJB-AWEZNQCLSA-N 2 0 369.510 0.391 20 0 FCADRP COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304607 492285207 /nfs/dbraw/zinc/28/52/07/492285207.db2.gz JFNUUQWHHMMMHS-GJZGRUSLSA-N 2 0 367.490 0.977 20 0 FCADRP C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641740958 492301828 /nfs/dbraw/zinc/30/18/28/492301828.db2.gz RVGFWUPDNIOIBE-KRWDZBQOSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641779919 492303924 /nfs/dbraw/zinc/30/39/24/492303924.db2.gz TVFNVLIUZMIPRZ-SJORKVTESA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641784445 492305099 /nfs/dbraw/zinc/30/50/99/492305099.db2.gz SMQUUVWELRHNRS-QGZVFWFLSA-N 2 0 355.527 0.422 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469228 492308519 /nfs/dbraw/zinc/30/85/19/492308519.db2.gz OLZBWZXGHJEQBA-QZTJIDSGSA-N 2 0 374.485 0.072 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470117 492309296 /nfs/dbraw/zinc/30/92/96/492309296.db2.gz LQOJNESYPIYSMA-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000641824974 492310395 /nfs/dbraw/zinc/31/03/95/492310395.db2.gz OYVLXERVQCKSQZ-NWDGAFQWSA-N 2 0 364.412 0.525 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000627472538 492310382 /nfs/dbraw/zinc/31/03/82/492310382.db2.gz SFABRFALCTUKRS-IAGOWNOFSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000627475472 492313529 /nfs/dbraw/zinc/31/35/29/492313529.db2.gz NLIRVYAMTHKAPP-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000620535930 492317492 /nfs/dbraw/zinc/31/74/92/492317492.db2.gz VKHMUBOXYPXYTI-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202092 492326850 /nfs/dbraw/zinc/32/68/50/492326850.db2.gz DOVHDKVSJHXZJK-SJORKVTESA-N 2 0 355.527 0.421 20 0 FCADRP C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507445 492327125 /nfs/dbraw/zinc/32/71/25/492327125.db2.gz SVPCACGSMTURBT-LISAXSMJSA-N 2 0 358.486 0.974 20 0 FCADRP O=C(CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N1CC[NH2+]CC1 ZINC000634240125 492330522 /nfs/dbraw/zinc/33/05/22/492330522.db2.gz KYHFAXJYJQCQFY-UHFFFAOYSA-N 2 0 365.522 0.716 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000647594853 492331496 /nfs/dbraw/zinc/33/14/96/492331496.db2.gz SIRXSEBHMHCGBF-KSSFIOAISA-N 2 0 358.486 0.918 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000642096153 492333618 /nfs/dbraw/zinc/33/36/18/492333618.db2.gz HNAPSMOTPLXXQC-NVXWUHKLSA-N 2 0 362.474 0.672 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642094916 492333701 /nfs/dbraw/zinc/33/37/01/492333701.db2.gz ROONYMSLJCJXOC-FGTMMUONSA-N 2 0 358.486 0.486 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000642101814 492334772 /nfs/dbraw/zinc/33/47/72/492334772.db2.gz QWZZGWAQHIXPJZ-KZNAEPCWSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000642100525 492335303 /nfs/dbraw/zinc/33/53/03/492335303.db2.gz QTPQAASRUBYJGU-AWEZNQCLSA-N 2 0 350.488 0.869 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@H]1CC[N@H+](C)C1 ZINC000654703358 492342018 /nfs/dbraw/zinc/34/20/18/492342018.db2.gz VZBUSPYSNNZYRG-JJRVBVJISA-N 2 0 362.478 0.866 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236457 492343117 /nfs/dbraw/zinc/34/31/17/492343117.db2.gz WEHXUPWIPJBJIR-CYJAXWMASA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000642236419 492343380 /nfs/dbraw/zinc/34/33/80/492343380.db2.gz OUTPFJVFECCUNN-AYOQOUSVSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000642313730 492349800 /nfs/dbraw/zinc/34/98/00/492349800.db2.gz DRGFPUKMTXLWQY-UHFFFAOYSA-N 2 0 350.850 0.509 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000642439519 492357720 /nfs/dbraw/zinc/35/77/20/492357720.db2.gz KHYJSYKKVCRUTD-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000621153062 492359462 /nfs/dbraw/zinc/35/94/62/492359462.db2.gz JZUCXPCROOJFLN-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)CC(C)C ZINC000642531614 492361665 /nfs/dbraw/zinc/36/16/65/492361665.db2.gz CXTWGOCWMMOIIN-JYJNAYRXSA-N 2 0 356.511 0.434 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642538008 492362851 /nfs/dbraw/zinc/36/28/51/492362851.db2.gz YOTMYZHEBAXKJD-NVXWUHKLSA-N 2 0 374.485 0.454 20 0 FCADRP CNS(=O)(=O)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000621269280 492367367 /nfs/dbraw/zinc/36/73/67/492367367.db2.gz PIBGRJUDTXOGRH-UHFFFAOYSA-N 2 0 374.551 0.240 20 0 FCADRP C[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CC(C)C1 ZINC000654881121 492368034 /nfs/dbraw/zinc/36/80/34/492368034.db2.gz ZHJDMRTUGXMRDF-IRXDYDNUSA-N 2 0 352.523 0.974 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642640207 492368076 /nfs/dbraw/zinc/36/80/76/492368076.db2.gz PGNSZNXUPBAPSY-NVXWUHKLSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640876 492369362 /nfs/dbraw/zinc/36/93/62/492369362.db2.gz HWZPKZGUVXSUTP-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642680344 492372389 /nfs/dbraw/zinc/37/23/89/492372389.db2.gz ZECHYOSGVAICCN-QRVBRYPASA-N 2 0 370.497 0.978 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000642722789 492380124 /nfs/dbraw/zinc/38/01/24/492380124.db2.gz BZHBVQSZPXNYMI-BRWVUGGUSA-N 2 0 368.522 0.434 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000642731419 492381750 /nfs/dbraw/zinc/38/17/50/492381750.db2.gz CHSOUDXWZHSEFE-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000642731681 492382078 /nfs/dbraw/zinc/38/20/78/492382078.db2.gz JHLRCVHPEIOBEV-APHBMKBZSA-N 2 0 366.437 0.119 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000642732177 492382681 /nfs/dbraw/zinc/38/26/81/492382681.db2.gz RWDFJJRKVLNFLG-ZBFHGGJFSA-N 2 0 354.495 0.332 20 0 FCADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937832 492385972 /nfs/dbraw/zinc/38/59/72/492385972.db2.gz CSUOZRICIRSFHW-SWLSCSKDSA-N 2 0 354.476 0.722 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642756711 492386656 /nfs/dbraw/zinc/38/66/56/492386656.db2.gz ZJGGVIZHSWINGA-SZMVWBNQSA-N 2 0 374.485 0.199 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977445 492389845 /nfs/dbraw/zinc/38/98/45/492389845.db2.gz BJWBRCJGYCHMTN-ZWKOTPCHSA-N 2 0 362.518 0.779 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977323 492390583 /nfs/dbraw/zinc/39/05/83/492390583.db2.gz AAABHPVMUQXVSN-CABCVRRESA-N 2 0 355.508 0.410 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977117 492390599 /nfs/dbraw/zinc/39/05/99/492390599.db2.gz XYRXXKQNNADJPD-SJORKVTESA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000642787859 492391770 /nfs/dbraw/zinc/39/17/70/492391770.db2.gz IFCRNEMQGUGFKB-WMLDXEAASA-N 2 0 366.506 0.474 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000642793123 492393110 /nfs/dbraw/zinc/39/31/10/492393110.db2.gz IUMGNJUIMYVLGN-KGLIPLIRSA-N 2 0 354.520 0.270 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000642808976 492396800 /nfs/dbraw/zinc/39/68/00/492396800.db2.gz WKHKAQFBILVKQH-MRXNPFEDSA-N 2 0 350.438 0.632 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902298 492399129 /nfs/dbraw/zinc/39/91/29/492399129.db2.gz OYJYOMUMBGLMNP-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903938 492400258 /nfs/dbraw/zinc/40/02/58/492400258.db2.gz PCYIRVHOHAZRCS-OAHLLOKOSA-N 2 0 352.504 0.897 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642940942 492405853 /nfs/dbraw/zinc/40/58/53/492405853.db2.gz NBAVKLZZMUAVIG-NVXWUHKLSA-N 2 0 367.538 0.103 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000642958552 492406586 /nfs/dbraw/zinc/40/65/86/492406586.db2.gz NTZSJXBDDQVLSI-XHSDSOJGSA-N 2 0 366.506 0.693 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000648143670 492407083 /nfs/dbraw/zinc/40/70/83/492407083.db2.gz XONRHLWSIUXJGI-GJZGRUSLSA-N 2 0 357.520 0.391 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000648143672 492407108 /nfs/dbraw/zinc/40/71/08/492407108.db2.gz XONRHLWSIUXJGI-LSDHHAIUSA-N 2 0 357.520 0.391 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983099 492410879 /nfs/dbraw/zinc/41/08/79/492410879.db2.gz GFVFNOOGVIGECN-FUHWJXTLSA-N 2 0 356.470 0.849 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984284 492411389 /nfs/dbraw/zinc/41/13/89/492411389.db2.gz BXICLCQMLURPPB-KBAYOESNSA-N 2 0 358.486 0.976 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643014740 492414277 /nfs/dbraw/zinc/41/42/77/492414277.db2.gz UPXBEKZFXFQWDE-RDHIYWLCSA-N 2 0 374.529 0.966 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1cccs1 ZINC000621837274 492420439 /nfs/dbraw/zinc/42/04/39/492420439.db2.gz DBNULDKRIARWEV-XNJGSVPQSA-N 2 0 350.488 0.807 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838026 492421565 /nfs/dbraw/zinc/42/15/65/492421565.db2.gz WMHGSGJBEDWFSX-FUHIMQAGSA-N 2 0 358.486 0.615 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621841266 492423027 /nfs/dbraw/zinc/42/30/27/492423027.db2.gz SPQRWMWHBXAGLC-OXJNMPFZSA-N 2 0 374.485 0.583 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621840366 492423298 /nfs/dbraw/zinc/42/32/98/492423298.db2.gz HSGXAZJLCSWICN-OXQOHEQNSA-N 2 0 374.485 0.583 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621843243 492423900 /nfs/dbraw/zinc/42/39/00/492423900.db2.gz BIFGTUADUIPDFU-UEXGIBASSA-N 2 0 370.497 0.965 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621844883 492425280 /nfs/dbraw/zinc/42/52/80/492425280.db2.gz YTJKJMKYTVOFEA-GHTZIAJQSA-N 2 0 370.497 0.891 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557280 492457199 /nfs/dbraw/zinc/45/71/99/492457199.db2.gz WATKJMWJWUXDKA-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)CC1 ZINC000635542792 492467790 /nfs/dbraw/zinc/46/77/90/492467790.db2.gz GQVFJXHLEBXJJV-UHFFFAOYSA-N 2 0 366.550 0.831 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635542789 492468014 /nfs/dbraw/zinc/46/80/14/492468014.db2.gz GPTZUBPCWVBEBD-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)CC[NH+]1C ZINC000648864411 492468058 /nfs/dbraw/zinc/46/80/58/492468058.db2.gz GICMYVGJBQQLSV-WRQOLXDDSA-N 2 0 350.507 0.726 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(CO)CCOCC1 ZINC000622339570 492471704 /nfs/dbraw/zinc/47/17/04/492471704.db2.gz ZBJCLFCWIDHRMT-UHFFFAOYSA-N 2 0 362.474 0.499 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635562194 492472582 /nfs/dbraw/zinc/47/25/82/492472582.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 2 0 354.539 0.829 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643478942 492475273 /nfs/dbraw/zinc/47/52/73/492475273.db2.gz TWKLPLCKYYGLGT-GOSISDBHSA-N 2 0 371.485 0.721 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635571792 492475311 /nfs/dbraw/zinc/47/53/11/492475311.db2.gz CRBGQWZPSMLOEX-SJLPKXTDSA-N 2 0 350.507 0.526 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000643481002 492477413 /nfs/dbraw/zinc/47/74/13/492477413.db2.gz WTBIGZFBWQSHCS-SFHVURJKSA-N 2 0 358.486 0.918 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643483676 492478442 /nfs/dbraw/zinc/47/84/42/492478442.db2.gz BHWPOCVDIVWOHU-GBESFXJTSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000628216498 492482416 /nfs/dbraw/zinc/48/24/16/492482416.db2.gz QMIFASFTEAYVOO-WRQOLXDDSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500565 492482617 /nfs/dbraw/zinc/48/26/17/492482617.db2.gz CDVDLVBYGGHLJP-ARFHVFGLSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509681 492484597 /nfs/dbraw/zinc/48/45/97/492484597.db2.gz JMVCAUAHKDXIQF-IAGOWNOFSA-N 2 0 350.507 0.908 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509736 492484646 /nfs/dbraw/zinc/48/46/46/492484646.db2.gz PHOPQVYHKJHSHO-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)CC1 ZINC000643516196 492487657 /nfs/dbraw/zinc/48/76/57/492487657.db2.gz ZXZNDOXHIIIMKV-GPQLOAJWSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC[NH2+]1 ZINC000643530063 492490554 /nfs/dbraw/zinc/49/05/54/492490554.db2.gz FDHRDPIZBZZQID-NVXWUHKLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531798 492490608 /nfs/dbraw/zinc/49/06/08/492490608.db2.gz LRCARXOKQHFKJE-JQHSSLGASA-N 2 0 374.485 0.294 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643530754 492490970 /nfs/dbraw/zinc/49/09/70/492490970.db2.gz OIERQEORPOYMDF-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531823 492491306 /nfs/dbraw/zinc/49/13/06/492491306.db2.gz OQYXWPCJNYVKRG-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531755 492491386 /nfs/dbraw/zinc/49/13/86/492491386.db2.gz GHAMHPKMZARPDJ-ROUUACIJSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000643531888 492491720 /nfs/dbraw/zinc/49/17/20/492491720.db2.gz SRSJXPYXDWVKOG-IPMKNSEASA-N 2 0 370.497 0.930 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655936620 492491885 /nfs/dbraw/zinc/49/18/85/492491885.db2.gz IMXDBPXQOCAGTR-LLVKDONJSA-N 2 0 361.368 0.705 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000643541527 492495251 /nfs/dbraw/zinc/49/52/51/492495251.db2.gz RPUYGGLQLSCEAW-DZJNRPSUSA-N 2 0 356.470 0.382 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000643544921 492496264 /nfs/dbraw/zinc/49/62/64/492496264.db2.gz SUQRBTJXCGVSTD-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643549771 492496654 /nfs/dbraw/zinc/49/66/54/492496654.db2.gz NVZNFQVKQVMFQZ-XYVMCAHJSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)C[C@@H](O)CC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000649084391 492497352 /nfs/dbraw/zinc/49/73/52/492497352.db2.gz YKDPSCATRBPEDF-BJWYYQGGSA-N 2 0 368.522 0.044 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970266 492500308 /nfs/dbraw/zinc/50/03/08/492500308.db2.gz GTTQZQPHAKHNSP-MWDXBVQZSA-N 2 0 353.511 0.173 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000649271466 492516421 /nfs/dbraw/zinc/51/64/21/492516421.db2.gz IIMDZBCNSXYSFL-IBGZPJMESA-N 2 0 360.502 0.641 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000656022434 492520248 /nfs/dbraw/zinc/52/02/48/492520248.db2.gz GPGWBUZLEAAFAY-ZIAGYGMSSA-N 2 0 354.495 0.548 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000636023635 492541059 /nfs/dbraw/zinc/54/10/59/492541059.db2.gz PMHWUZVLCJCKEY-SFHVURJKSA-N 2 0 364.534 0.916 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)c2ccccc2O1 ZINC000649347463 492542450 /nfs/dbraw/zinc/54/24/50/492542450.db2.gz YOAICBFHWWKNNQ-LSDHHAIUSA-N 2 0 360.458 0.682 20 0 FCADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351824 492543595 /nfs/dbraw/zinc/54/35/95/492543595.db2.gz VICIUASEVLIDLP-LSDHHAIUSA-N 2 0 364.465 0.991 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000649365657 492548472 /nfs/dbraw/zinc/54/84/72/492548472.db2.gz IIZWZKYILXKMLE-VVLHAWIVSA-N 2 0 350.507 0.953 20 0 FCADRP O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649419471 492553351 /nfs/dbraw/zinc/55/33/51/492553351.db2.gz QKNWZBGFYBUNPH-ROUUACIJSA-N 2 0 364.534 0.822 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CO)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000649473518 492556059 /nfs/dbraw/zinc/55/60/59/492556059.db2.gz YBKALPSYNVWEQK-JJTUDDRGSA-N 2 0 368.522 0.325 20 0 FCADRP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000649473997 492557017 /nfs/dbraw/zinc/55/70/17/492557017.db2.gz ZUBKQEIXJHFCJQ-ULQDDVLXSA-N 2 0 368.522 0.329 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636487748 492598712 /nfs/dbraw/zinc/59/87/12/492598712.db2.gz XOTWCXBFDPAWGD-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354532 492609198 /nfs/dbraw/zinc/60/91/98/492609198.db2.gz GIMVHQXIYKJHDO-IRXDYDNUSA-N 3 0 367.538 0.071 20 0 FCADRP Nc1nc(N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)nc(N)[nH+]1 ZINC000623960714 492609233 /nfs/dbraw/zinc/60/92/33/492609233.db2.gz FFTWCRJUSUQCLK-LLVKDONJSA-N 2 0 351.817 0.988 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CC1 ZINC000643961700 492615284 /nfs/dbraw/zinc/61/52/84/492615284.db2.gz CZKXQUVCOQVVLG-KURKYZTESA-N 2 0 352.523 0.553 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(C(=O)NC2CC2)CC1 ZINC000624248238 492631118 /nfs/dbraw/zinc/63/11/18/492631118.db2.gz HEHPOBQULHCHLY-UHFFFAOYSA-N 2 0 371.485 0.769 20 0 FCADRP [NH3+]C[C@@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000629568568 492646887 /nfs/dbraw/zinc/64/68/87/492646887.db2.gz UHPMISWHFLWQNG-CHWSQXEVSA-N 2 0 364.412 0.574 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629578081 492654569 /nfs/dbraw/zinc/65/45/69/492654569.db2.gz MCJKVWKVLYXOBT-HNNXBMFYSA-N 2 0 352.454 0.770 20 0 FCADRP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629581286 492656629 /nfs/dbraw/zinc/65/66/29/492656629.db2.gz UWORMYSRKWIMHO-JKSUJKDBSA-N 2 0 355.504 0.790 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629787253 492671805 /nfs/dbraw/zinc/67/18/05/492671805.db2.gz ATVNUNOPZDKFPG-VXGBXAGGSA-N 2 0 352.401 0.382 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C2)CC1 ZINC000629795076 492675023 /nfs/dbraw/zinc/67/50/23/492675023.db2.gz YQNZRZKBJJOBPX-QGZVFWFLSA-N 2 0 368.522 0.391 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753863 492682364 /nfs/dbraw/zinc/68/23/64/492682364.db2.gz ZTYCZFCCQCXYMJ-OALUTQOASA-N 2 0 360.502 0.917 20 0 FCADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651180717 492719060 /nfs/dbraw/zinc/71/90/60/492719060.db2.gz FFCDYXJZWVZVRW-MSOLQXFVSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000636907295 492725015 /nfs/dbraw/zinc/72/50/15/492725015.db2.gz MZFDEWLGCCGCTP-VCBZYWHSSA-N 2 0 366.506 0.527 20 0 FCADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651273191 492732800 /nfs/dbraw/zinc/73/28/00/492732800.db2.gz FQEQPVPKWVQWFP-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651273190 492733115 /nfs/dbraw/zinc/73/31/15/492733115.db2.gz FQEQPVPKWVQWFP-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP CN(C(=O)NCCN1CCCC1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651305614 492738460 /nfs/dbraw/zinc/73/84/60/492738460.db2.gz QDIRURAABNVOGY-INIZCTEOSA-N 2 0 351.495 0.419 20 0 FCADRP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000630796084 492775889 /nfs/dbraw/zinc/77/58/89/492775889.db2.gz LDQXATYRVHOFIR-XMTFNYHQSA-N 2 0 364.534 0.929 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCCOCC1 ZINC000651543767 492777684 /nfs/dbraw/zinc/77/76/84/492777684.db2.gz GHEUVOAIJRMLCQ-INIZCTEOSA-N 2 0 362.540 0.301 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637260500 492801569 /nfs/dbraw/zinc/80/15/69/492801569.db2.gz JYRDSHGCSGTPIY-KRWDZBQOSA-N 2 0 354.495 0.243 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373438 492812702 /nfs/dbraw/zinc/81/27/02/492812702.db2.gz OTTTUWCOGFYXQK-JYJNAYRXSA-N 2 0 351.495 0.594 20 0 FCADRP Cc1cn2ccc(NC(=O)C(=O)N3C[C@@H](C)N(CCO)[C@@H](C)C3)cc2n1 ZINC000657990665 492826813 /nfs/dbraw/zinc/82/68/13/492826813.db2.gz QIVYXNMTMKSELV-OKILXGFUSA-N 2 0 359.430 0.495 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631677430 492834567 /nfs/dbraw/zinc/83/45/67/492834567.db2.gz ZTKIUURCHUTHFJ-QGZVFWFLSA-N 2 0 360.568 0.808 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000658118038 492840732 /nfs/dbraw/zinc/84/07/32/492840732.db2.gz BMVGRXNSIGNZKB-AWEZNQCLSA-N 2 0 364.494 0.620 20 0 FCADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000631749102 492846717 /nfs/dbraw/zinc/84/67/17/492846717.db2.gz NNGTWCCHYIHNRH-DLBZAZTESA-N 2 0 360.568 0.664 20 0 FCADRP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844995 492861585 /nfs/dbraw/zinc/86/15/85/492861585.db2.gz RDGWWXGPLOARGU-KDOFPFPSSA-N 2 0 354.458 0.957 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000645178561 492875211 /nfs/dbraw/zinc/87/52/11/492875211.db2.gz LGJRNHZGMNMFON-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP COC1CC[NH+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631918411 492883349 /nfs/dbraw/zinc/88/33/49/492883349.db2.gz BSKNSNOITLYKGG-UHFFFAOYSA-N 2 0 362.540 0.394 20 0 FCADRP CCCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645305421 492890863 /nfs/dbraw/zinc/89/08/63/492890863.db2.gz RMDIQUGTMFBNCW-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631941137 492892653 /nfs/dbraw/zinc/89/26/53/492892653.db2.gz OXBCXEBRMGQPQW-IAGOWNOFSA-N 2 0 358.552 0.275 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC[NH2+]1 ZINC000652218775 492895581 /nfs/dbraw/zinc/89/55/81/492895581.db2.gz AADJSKDMWYOIIU-BVIKNXMNSA-N 2 0 354.495 0.683 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658449873 492898127 /nfs/dbraw/zinc/89/81/27/492898127.db2.gz KMAQNUKJOLENTB-GOSISDBHSA-N 2 0 360.502 0.782 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000638080390 492900898 /nfs/dbraw/zinc/90/08/98/492900898.db2.gz VCQUJJKKFKTOOG-IBGZPJMESA-N 2 0 362.518 0.955 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000645419841 492904109 /nfs/dbraw/zinc/90/41/09/492904109.db2.gz UVCPEPCPIWUTAS-SFHVURJKSA-N 2 0 358.486 0.809 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000638123189 492910660 /nfs/dbraw/zinc/91/06/60/492910660.db2.gz PPQLALADRUACFT-GOSISDBHSA-N 2 0 373.501 0.697 20 0 FCADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348597 492912974 /nfs/dbraw/zinc/91/29/74/492912974.db2.gz JUXLDSGVPCFAOW-ARFHVFGLSA-N 2 0 363.524 0.161 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652362741 492915878 /nfs/dbraw/zinc/91/58/78/492915878.db2.gz NUIWHKVMSVQKOU-BSDSXHPESA-N 2 0 366.506 0.474 20 0 FCADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137804 492916067 /nfs/dbraw/zinc/91/60/67/492916067.db2.gz OECCKADRYMDUCO-HNNXBMFYSA-N 2 0 363.481 0.660 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000652380216 492920377 /nfs/dbraw/zinc/92/03/77/492920377.db2.gz JQCUOWMHEBQWJW-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226407 492923726 /nfs/dbraw/zinc/92/37/26/492923726.db2.gz ILFVTSKRWLYGSL-OALUTQOASA-N 2 0 372.513 0.959 20 0 FCADRP CC(C)O[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000652431331 492930926 /nfs/dbraw/zinc/93/09/26/492930926.db2.gz INYAMQBZKJIEOK-MRXNPFEDSA-N 2 0 356.511 0.354 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632113167 492932363 /nfs/dbraw/zinc/93/23/63/492932363.db2.gz SKPMJTKDVSSYRK-INIZCTEOSA-N 2 0 372.535 0.041 20 0 FCADRP Cn1ccnc1[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632145816 492938182 /nfs/dbraw/zinc/93/81/82/492938182.db2.gz PTWNBWZFGOPQDX-HNNXBMFYSA-N 2 0 355.508 0.177 20 0 FCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349291 492939322 /nfs/dbraw/zinc/93/93/22/492939322.db2.gz ZWSRJSFYQFMVIG-XHSDSOJGSA-N 2 0 351.495 0.497 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652479659 492947461 /nfs/dbraw/zinc/94/74/61/492947461.db2.gz SRMNCTWPLHIFKC-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486744 492955085 /nfs/dbraw/zinc/95/50/85/492955085.db2.gz WNLHSWUADUPZFU-UHFFFAOYSA-N 2 0 371.485 0.044 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255372 492958265 /nfs/dbraw/zinc/95/82/65/492958265.db2.gz QNCUKKQCPASEGS-DLBZAZTESA-N 2 0 360.568 0.664 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000638560377 492961403 /nfs/dbraw/zinc/96/14/03/492961403.db2.gz TWSRUDDPJCGGME-GRYCIOLGSA-N 2 0 350.385 0.230 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000652621862 492972174 /nfs/dbraw/zinc/97/21/74/492972174.db2.gz WXDJMTYEAZMEAP-HNNXBMFYSA-N 2 0 350.467 0.407 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000652623291 492972208 /nfs/dbraw/zinc/97/22/08/492972208.db2.gz FMHNNDWPWKUPFM-UHFFFAOYSA-N 2 0 362.478 0.375 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638754740 492976480 /nfs/dbraw/zinc/97/64/80/492976480.db2.gz DLARFJNOBSOLPC-SJLPKXTDSA-N 2 0 354.458 0.951 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC000638808818 492980343 /nfs/dbraw/zinc/98/03/43/492980343.db2.gz OJTICCMYBVNTKM-LVQVYYBASA-N 2 0 362.478 0.493 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000638855329 492981549 /nfs/dbraw/zinc/98/15/49/492981549.db2.gz BAPVKGBQBWYOPL-SJORKVTESA-N 2 0 360.458 0.506 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638837086 492981561 /nfs/dbraw/zinc/98/15/61/492981561.db2.gz XVCMZHSBKAHPPQ-NJAFHUGGSA-N 2 0 358.486 0.739 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CC2)C1=O ZINC000638856700 492982324 /nfs/dbraw/zinc/98/23/24/492982324.db2.gz RTVYJPSOYYPGTO-RXVVDRJESA-N 2 0 370.497 0.729 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652670543 492983722 /nfs/dbraw/zinc/98/37/22/492983722.db2.gz VVUJVIJQQAWLCD-WFXMFSGNSA-N 2 0 368.522 0.435 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000632369270 492984330 /nfs/dbraw/zinc/98/43/30/492984330.db2.gz NQRFYEGJESTHHO-HIFRSBDPSA-N 2 0 357.524 0.775 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)nn1 ZINC000638903704 492986047 /nfs/dbraw/zinc/98/60/47/492986047.db2.gz TZIZDJBEHBCNPI-KRWDZBQOSA-N 2 0 354.458 0.832 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)[N@H+](C)C1CC1 ZINC000652686263 492990351 /nfs/dbraw/zinc/99/03/51/492990351.db2.gz CNNULBDTUBYOBB-JYYAWHABSA-N 2 0 366.506 0.330 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000652704537 492995673 /nfs/dbraw/zinc/99/56/73/492995673.db2.gz MXWFGJDHRZFHRX-INIZCTEOSA-N 2 0 354.495 0.252 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652704920 492995724 /nfs/dbraw/zinc/99/57/24/492995724.db2.gz WOEFPARNGVAYEI-KRWDZBQOSA-N 2 0 368.522 0.642 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003165 492999391 /nfs/dbraw/zinc/99/93/91/492999391.db2.gz VCVINLINPWAVDG-ZWKOTPCHSA-N 2 0 360.506 0.660 20 0 FCADRP COc1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1OCC[NH+](C)C ZINC000626589592 493000102 /nfs/dbraw/zinc/00/01/02/493000102.db2.gz JSNOCSLLNZSWHJ-HNNXBMFYSA-N 2 0 366.462 0.824 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652726815 493006113 /nfs/dbraw/zinc/00/61/13/493006113.db2.gz PDOBPUYKVBHFFE-XHSDSOJGSA-N 2 0 354.495 0.141 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730377 493008281 /nfs/dbraw/zinc/00/82/81/493008281.db2.gz VYEUPQNIJCSENI-YESZJQIVSA-N 2 0 368.522 0.532 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCO1 ZINC000658712396 493023053 /nfs/dbraw/zinc/02/30/53/493023053.db2.gz VHPFEHZGEAWSQG-GVDBMIGSSA-N 2 0 366.506 0.108 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000626879526 493045779 /nfs/dbraw/zinc/04/57/79/493045779.db2.gz LUARNPBYQRPDJG-KRWDZBQOSA-N 2 0 360.458 0.716 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cn2)CC1 ZINC000653124715 493076175 /nfs/dbraw/zinc/07/61/75/493076175.db2.gz FSIGAZOSMBXJIF-LPHOPBHVSA-N 2 0 359.474 0.076 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124980 493076187 /nfs/dbraw/zinc/07/61/87/493076187.db2.gz ONNCQOARSGBCSM-MSOLQXFVSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779086 493087604 /nfs/dbraw/zinc/08/76/04/493087604.db2.gz RPHAOPPYCRSCTN-COYYTBTLSA-N 2 0 360.502 0.053 20 0 FCADRP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646765475 493092067 /nfs/dbraw/zinc/09/20/67/493092067.db2.gz BZHQSOZBIAMJKN-OAHLLOKOSA-N 2 0 350.467 0.326 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000627228177 493111422 /nfs/dbraw/zinc/11/14/22/493111422.db2.gz HZXNKAZRJWDNOR-IAGOWNOFSA-N 2 0 361.494 0.972 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC000627230723 493112518 /nfs/dbraw/zinc/11/25/18/493112518.db2.gz LHDGISJJXBQTMP-WBVHZDCISA-N 2 0 361.494 0.686 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658944520 493114391 /nfs/dbraw/zinc/11/43/91/493114391.db2.gz GNTUMQXMGLERRW-MRXNPFEDSA-N 2 0 373.501 0.919 20 0 FCADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627234657 493114465 /nfs/dbraw/zinc/11/44/65/493114465.db2.gz KCXPUCRKZCNETN-RDJZCZTQSA-N 2 0 355.446 0.580 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627247821 493117085 /nfs/dbraw/zinc/11/70/85/493117085.db2.gz OKFLBMANEABOJS-MRXNPFEDSA-N 2 0 351.495 0.372 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633099455 493125164 /nfs/dbraw/zinc/12/51/64/493125164.db2.gz BKWFLGBDGPHBCQ-QYZOEREBSA-N 2 0 370.497 0.930 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627293457 493137806 /nfs/dbraw/zinc/13/78/06/493137806.db2.gz UHYKBAPSEHCULD-YPMHNXCESA-N 2 0 364.412 0.573 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659095309 493149736 /nfs/dbraw/zinc/14/97/36/493149736.db2.gz BOURKCSBZIYYTA-KGLIPLIRSA-N 2 0 359.474 0.825 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627321366 493151121 /nfs/dbraw/zinc/15/11/21/493151121.db2.gz LJWXHSRVZPRILP-CABCVRRESA-N 2 0 368.865 0.164 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000627325397 493155021 /nfs/dbraw/zinc/15/50/21/493155021.db2.gz IASSTBORECJVQT-WZRBSPASSA-N 2 0 362.396 0.325 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)c1 ZINC000659113136 493160403 /nfs/dbraw/zinc/16/04/03/493160403.db2.gz UJIVYMUQGWHBPW-CYBMUJFWSA-N 2 0 363.462 0.630 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)c(C)c2)CC1 ZINC000659114225 493160578 /nfs/dbraw/zinc/16/05/78/493160578.db2.gz MFRSTNVTTCRJPC-OAHLLOKOSA-N 2 0 361.490 0.800 20 0 FCADRP NC(=O)c1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000647090519 493160730 /nfs/dbraw/zinc/16/07/30/493160730.db2.gz HLJPFGLMPUBLTH-UHFFFAOYSA-N 2 0 355.442 0.837 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627345380 493165284 /nfs/dbraw/zinc/16/52/84/493165284.db2.gz JNAABUXZYYEONS-QGZVFWFLSA-N 2 0 362.474 0.249 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659434314 493175713 /nfs/dbraw/zinc/17/57/13/493175713.db2.gz LCXCNWTXXIFBAL-BETUJISGSA-N 2 0 350.467 0.808 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000672442654 493177367 /nfs/dbraw/zinc/17/73/67/493177367.db2.gz WKRLVMFWQGBAEQ-UHFFFAOYSA-N 2 0 370.538 0.791 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659436817 493178085 /nfs/dbraw/zinc/17/80/85/493178085.db2.gz ZIENBEIYQGCWDS-CYBMUJFWSA-N 2 0 350.467 0.952 20 0 FCADRP COCC[NH2+]CCc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229984 493186149 /nfs/dbraw/zinc/18/61/49/493186149.db2.gz NXFYTRHIIMVCBJ-IBGZPJMESA-N 2 0 359.474 0.694 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627389804 493196977 /nfs/dbraw/zinc/19/69/77/493196977.db2.gz QNQFFYGHWVBWCD-VXGBXAGGSA-N 2 0 352.401 0.430 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627402218 493204240 /nfs/dbraw/zinc/20/42/40/493204240.db2.gz XRTYFMBVKSEZSU-ZWKOTPCHSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000659553232 493211611 /nfs/dbraw/zinc/21/16/11/493211611.db2.gz WKTGMCXTZRVFMC-HUUCEWRRSA-N 2 0 353.511 0.794 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659551935 493211632 /nfs/dbraw/zinc/21/16/32/493211632.db2.gz YLNADYJVLNVONF-KRWDZBQOSA-N 2 0 354.495 0.555 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000659578010 493215913 /nfs/dbraw/zinc/21/59/13/493215913.db2.gz QCSHVCDUYREWRR-GJZGRUSLSA-N 2 0 351.495 0.548 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581970 493216783 /nfs/dbraw/zinc/21/67/83/493216783.db2.gz BJBPFKBQNGDCNC-IAGOWNOFSA-N 2 0 352.454 0.885 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000659617854 493221272 /nfs/dbraw/zinc/22/12/72/493221272.db2.gz WGAYGCVPKRTNFA-NNVNDSJASA-N 2 0 358.486 0.921 20 0 FCADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659629934 493223591 /nfs/dbraw/zinc/22/35/91/493223591.db2.gz JHIHKUXNUZZCHI-HNNXBMFYSA-N 2 0 374.445 0.752 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000672695130 493234554 /nfs/dbraw/zinc/23/45/54/493234554.db2.gz JKYVLQUKEFIAOL-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672696207 493234570 /nfs/dbraw/zinc/23/45/70/493234570.db2.gz JORRGWXBNRWFFE-MRXNPFEDSA-N 2 0 359.474 0.721 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000666974432 493242779 /nfs/dbraw/zinc/24/27/79/493242779.db2.gz QCCVIIULIUYRFT-WMZOPIPTSA-N 2 0 366.506 0.603 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C)c1 ZINC000659673365 493244051 /nfs/dbraw/zinc/24/40/51/493244051.db2.gz BUBZFDWSXPKLPD-OAHLLOKOSA-N 2 0 350.463 0.610 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000666976181 493244540 /nfs/dbraw/zinc/24/45/40/493244540.db2.gz DBASDCOEOXZKAB-VYDXJSESSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000666978274 493245190 /nfs/dbraw/zinc/24/51/90/493245190.db2.gz VVMJENSLPGALDU-UXLLHSPISA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000659674623 493245245 /nfs/dbraw/zinc/24/52/45/493245245.db2.gz NMEYHZUKELBSBJ-NJAFHUGGSA-N 2 0 360.502 0.861 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978219 493245445 /nfs/dbraw/zinc/24/54/45/493245445.db2.gz UQQLUOHMTDNCPL-IRXDYDNUSA-N 2 0 354.495 0.386 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000659703589 493263584 /nfs/dbraw/zinc/26/35/84/493263584.db2.gz AOLIWHVNQNBXKZ-UHFFFAOYSA-N 2 0 359.474 0.802 20 0 FCADRP CC[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000641658757 493271140 /nfs/dbraw/zinc/27/11/40/493271140.db2.gz FPABUMMOSKZRPB-AGIUHOORSA-N 2 0 351.417 0.591 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000659723973 493272826 /nfs/dbraw/zinc/27/28/26/493272826.db2.gz PCYPCCOSPAFOQD-UHFFFAOYSA-N 2 0 359.474 0.407 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727163 493274574 /nfs/dbraw/zinc/27/45/74/493274574.db2.gz HSAHQAYDANFZJZ-ROUUACIJSA-N 2 0 373.501 0.653 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727161 493274614 /nfs/dbraw/zinc/27/46/14/493274614.db2.gz HSAHQAYDANFZJZ-MSOLQXFVSA-N 2 0 373.501 0.653 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[NH2+]1 ZINC000659727377 493275567 /nfs/dbraw/zinc/27/55/67/493275567.db2.gz DSIGKWKFDZFTJY-HOTGVXAUSA-N 2 0 373.501 0.619 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659729357 493275965 /nfs/dbraw/zinc/27/59/65/493275965.db2.gz QZLQMFDPYXOBTA-LSDHHAIUSA-N 2 0 361.490 0.652 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738173 493279958 /nfs/dbraw/zinc/27/99/58/493279958.db2.gz BCUKTJVFZYDITO-CVEARBPZSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659739288 493280378 /nfs/dbraw/zinc/28/03/78/493280378.db2.gz QHMSZYYUYLEBPA-NUEKZKHPSA-N 2 0 352.479 0.084 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659739286 493280485 /nfs/dbraw/zinc/28/04/85/493280485.db2.gz QHMSZYYUYLEBPA-CWRNSKLLSA-N 2 0 352.479 0.084 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000667398353 493282021 /nfs/dbraw/zinc/28/20/21/493282021.db2.gz PKVHOJFRUQKFGU-QAPCUYQASA-N 2 0 374.485 0.838 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000667402874 493282844 /nfs/dbraw/zinc/28/28/44/493282844.db2.gz OJBXONHUPBRNHV-CZUORRHYSA-N 2 0 364.446 0.140 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000667402875 493283022 /nfs/dbraw/zinc/28/30/22/493283022.db2.gz OJBXONHUPBRNHV-XJKSGUPXSA-N 2 0 364.446 0.140 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000682271970 493284324 /nfs/dbraw/zinc/28/43/24/493284324.db2.gz DMDWSIFOZNJPMK-CQSZACIVSA-N 2 0 350.467 0.374 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659755761 493286552 /nfs/dbraw/zinc/28/65/52/493286552.db2.gz LXQKLAMMLSFVDC-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659756482 493286957 /nfs/dbraw/zinc/28/69/57/493286957.db2.gz RBQSBWUZQUOOSE-WMLDXEAASA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000667559130 493289722 /nfs/dbraw/zinc/28/97/22/493289722.db2.gz CNIWUVWGKSAMNR-ZDUSSCGKSA-N 2 0 350.488 0.680 20 0 FCADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673116227 493291924 /nfs/dbraw/zinc/29/19/24/493291924.db2.gz BYSSYPOHOFOSRE-UHFFFAOYSA-N 2 0 364.494 0.718 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811306 493303039 /nfs/dbraw/zinc/30/30/39/493303039.db2.gz JHYZODKKZUIASQ-OAHLLOKOSA-N 2 0 365.526 0.845 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000667820469 493304021 /nfs/dbraw/zinc/30/40/21/493304021.db2.gz PUVSEIUBWPQIDY-INIZCTEOSA-N 2 0 359.478 0.978 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673268644 493309602 /nfs/dbraw/zinc/30/96/02/493309602.db2.gz JLPRWMCSZCNACY-SFHVURJKSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673428024 493327367 /nfs/dbraw/zinc/32/73/67/493327367.db2.gz SMRWLVDZNGHARL-GVDBMIGSSA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655375 493370552 /nfs/dbraw/zinc/37/05/52/493370552.db2.gz LVYBXOJTTOBLOZ-FQEVSTJZSA-N 2 0 372.517 0.933 20 0 FCADRP CC(C)(CO)[NH+]1CCN(C/C=C/CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896577 493372747 /nfs/dbraw/zinc/37/27/47/493372747.db2.gz XKABHAFONVJRAI-AATRIKPKSA-N 2 0 368.566 0.320 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000660830055 493383684 /nfs/dbraw/zinc/38/36/84/493383684.db2.gz KUVQMGSWRBKQQK-AEFFLSMTSA-N 2 0 367.538 0.422 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853372 493386949 /nfs/dbraw/zinc/38/69/49/493386949.db2.gz WPQRIXNIWSTPPT-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000661024889 493403521 /nfs/dbraw/zinc/40/35/21/493403521.db2.gz IEWQIQIKCUIBAW-KRWDZBQOSA-N 2 0 367.538 0.023 20 0 FCADRP COC1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329505 493408923 /nfs/dbraw/zinc/40/89/23/493408923.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 2 0 367.538 0.565 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000661314078 493426766 /nfs/dbraw/zinc/42/67/66/493426766.db2.gz ZVAKDPGTVQTIJZ-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000669139232 493467095 /nfs/dbraw/zinc/46/70/95/493467095.db2.gz SGWZOEQMGKPLFU-RHSMWYFYSA-N 2 0 350.463 0.885 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000685276927 493471884 /nfs/dbraw/zinc/47/18/84/493471884.db2.gz DKWGIWOYTTVJRB-LSDHHAIUSA-N 2 0 357.458 0.472 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420521 493503115 /nfs/dbraw/zinc/50/31/15/493503115.db2.gz NZUBJCHTQDIKRE-SFHVURJKSA-N 2 0 373.501 0.630 20 0 FCADRP CN(CCCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000662290969 493503682 /nfs/dbraw/zinc/50/36/82/493503682.db2.gz ARIWCRORFCQJHJ-INIZCTEOSA-N 2 0 374.551 0.096 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290657 493503698 /nfs/dbraw/zinc/50/36/98/493503698.db2.gz HHTWHHZXLIKXJC-DJIMGWMZSA-N 2 0 350.507 0.810 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2c(=O)n(C)c1=O ZINC000662295638 493504507 /nfs/dbraw/zinc/50/45/07/493504507.db2.gz VZHLNPQJWGZTTE-OAHLLOKOSA-N 2 0 374.489 0.145 20 0 FCADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000669444054 493504588 /nfs/dbraw/zinc/50/45/88/493504588.db2.gz QBRYVTCKEFHOHG-BZUAXINKSA-N 2 0 353.511 0.698 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296734 493504856 /nfs/dbraw/zinc/50/48/56/493504856.db2.gz MHZWFQDGGXEHOJ-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669530222 493509098 /nfs/dbraw/zinc/50/90/98/493509098.db2.gz XAHYXULQOQGIGD-IRXDYDNUSA-N 2 0 365.522 0.714 20 0 FCADRP O=C(NC[C@@H]1CSCCN1Cc1ccccc1)NC[C@H]1C[NH2+]CCO1 ZINC000669570334 493511497 /nfs/dbraw/zinc/51/14/97/493511497.db2.gz SPEOGACJWXNDGG-IAGOWNOFSA-N 2 0 364.515 0.892 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000662402595 493513182 /nfs/dbraw/zinc/51/31/82/493513182.db2.gz LHFHCQJBNAMYKT-UHFFFAOYSA-N 2 0 374.466 0.822 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000669610275 493513901 /nfs/dbraw/zinc/51/39/01/493513901.db2.gz OXJSHXCLILYJQZ-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449615 493516781 /nfs/dbraw/zinc/51/67/81/493516781.db2.gz ZPGLUHKQYULSOP-HKUYNNGSSA-N 2 0 358.486 0.696 20 0 FCADRP CCCCNC(=O)CN1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000669687455 493521454 /nfs/dbraw/zinc/52/14/54/493521454.db2.gz AJGMQEAOEZQRTC-UHFFFAOYSA-N 2 0 367.582 0.936 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cnn1C ZINC000662517528 493523208 /nfs/dbraw/zinc/52/32/08/493523208.db2.gz COMGQNQKEYTPRJ-WCFLWFBJSA-N 2 0 360.487 0.943 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662659327 493530283 /nfs/dbraw/zinc/53/02/83/493530283.db2.gz SBKFJMHMMNBDCB-ZWKOTPCHSA-N 2 0 358.486 0.630 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662727374 493535524 /nfs/dbraw/zinc/53/55/24/493535524.db2.gz WMFABAPOYCHFNO-HNNXBMFYSA-N 2 0 364.412 0.587 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757709 493539293 /nfs/dbraw/zinc/53/92/93/493539293.db2.gz LRHNOMNDGGXYLU-HOTGVXAUSA-N 2 0 363.510 0.349 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662755461 493539539 /nfs/dbraw/zinc/53/95/39/493539539.db2.gz AUHVDFIUZSYKED-ZWKOTPCHSA-N 2 0 362.474 0.615 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676307223 493544516 /nfs/dbraw/zinc/54/45/16/493544516.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 2 0 369.554 0.763 20 0 FCADRP O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000662887567 493549744 /nfs/dbraw/zinc/54/97/44/493549744.db2.gz JPKONAMLBXERED-QGZVFWFLSA-N 2 0 358.486 0.693 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000662895655 493549983 /nfs/dbraw/zinc/54/99/83/493549983.db2.gz FIUCYSIXAWLADX-TWMKSMIVSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662930530 493555329 /nfs/dbraw/zinc/55/53/29/493555329.db2.gz QZOUEXXNHVGZPJ-HZPDHXFCSA-N 2 0 367.538 0.199 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000662940327 493557378 /nfs/dbraw/zinc/55/73/78/493557378.db2.gz LUXSQIBTBWMXMY-UHFFFAOYSA-N 2 0 350.463 0.393 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000662953899 493560618 /nfs/dbraw/zinc/56/06/18/493560618.db2.gz RAIUXNGWEPHVMZ-LMMKCTJWSA-N 2 0 372.513 0.971 20 0 FCADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)CC2 ZINC000670444835 493568565 /nfs/dbraw/zinc/56/85/65/493568565.db2.gz RXGVVNACVABUQY-PMPSAXMXSA-N 2 0 350.507 0.918 20 0 FCADRP Cc1nnc2n1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000676813253 493572459 /nfs/dbraw/zinc/57/24/59/493572459.db2.gz CRGYUMQXQDMEBC-MRXNPFEDSA-N 2 0 350.511 0.881 20 0 FCADRP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000677152687 493587367 /nfs/dbraw/zinc/58/73/67/493587367.db2.gz ITKOPZUUNGSACL-HUUCEWRRSA-N 2 0 362.526 0.396 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000670671411 493587532 /nfs/dbraw/zinc/58/75/32/493587532.db2.gz CMAQKEFXALKZCB-SJORKVTESA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H]1COCCN1CCNc1cnc(NCCN2CCOC[C@@H]2C)cn1 ZINC000663545972 493595856 /nfs/dbraw/zinc/59/58/56/493595856.db2.gz DIJDXVJNAAXZLZ-HOTGVXAUSA-N 2 0 364.494 0.742 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670783137 493596495 /nfs/dbraw/zinc/59/64/95/493596495.db2.gz IGRMIONGKFAGAW-UHFFFAOYSA-N 2 0 357.458 0.473 20 0 FCADRP Cc1c(NC[C@@](C)(O)C[NH+](C)C)ncnc1NC[C@@](C)(O)C[NH+](C)C ZINC000663741719 493615772 /nfs/dbraw/zinc/61/57/72/493615772.db2.gz OJBGFPNFISNZAO-IAGOWNOFSA-N 2 0 354.499 0.234 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000670984504 493619531 /nfs/dbraw/zinc/61/95/31/493619531.db2.gz MYDYFULBNYEHSG-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCC1 ZINC000671071099 493629174 /nfs/dbraw/zinc/62/91/74/493629174.db2.gz GRDBMJMOWJCACZ-GOSISDBHSA-N 2 0 370.563 0.778 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100307 493632738 /nfs/dbraw/zinc/63/27/38/493632738.db2.gz BJPUYIAHZWGCAT-BBWFWOEESA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671108358 493636298 /nfs/dbraw/zinc/63/62/98/493636298.db2.gz OIDMRNZOYDMIPA-IKGGRYGDSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109921 493636621 /nfs/dbraw/zinc/63/66/21/493636621.db2.gz ZFFDTBJJHVVWJF-WBVHZDCISA-N 2 0 357.458 0.473 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000664182089 493642327 /nfs/dbraw/zinc/64/23/27/493642327.db2.gz MOFIPWFFPZBGRW-GVDBMIGSSA-N 2 0 366.506 0.650 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181566 493642573 /nfs/dbraw/zinc/64/25/73/493642573.db2.gz KNTIRTRQWRIYRN-UONOGXRCSA-N 2 0 353.467 0.500 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000664757652 493681510 /nfs/dbraw/zinc/68/15/10/493681510.db2.gz CEQFUPLVAHUGGX-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000665128264 493701435 /nfs/dbraw/zinc/70/14/35/493701435.db2.gz ODDHHAQPBVSZFP-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000672166106 493740412 /nfs/dbraw/zinc/74/04/12/493740412.db2.gz RZXFQNNBCMXOBZ-WMLDXEAASA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304041 493751744 /nfs/dbraw/zinc/75/17/44/493751744.db2.gz FXTGUIHMWUGUQB-DLBZAZTESA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672305055 493752353 /nfs/dbraw/zinc/75/23/53/493752353.db2.gz YQBNNMMPAUUDOA-KRWDZBQOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000666239302 493764167 /nfs/dbraw/zinc/76/41/67/493764167.db2.gz WQCJFUOOZFPIFM-MRXNPFEDSA-N 2 0 350.467 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000947972330 674369602 /nfs/dbraw/zinc/36/96/02/674369602.db2.gz FLCASERQPQUKTN-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000410812506 527829032 /nfs/dbraw/zinc/82/90/32/527829032.db2.gz XWGGWVPUNUONJC-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410811961 527829394 /nfs/dbraw/zinc/82/93/94/527829394.db2.gz XAZSKFITVUUKDV-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000410945932 527891028 /nfs/dbraw/zinc/89/10/28/527891028.db2.gz ONPPYLUKEYESLN-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410503272 528122921 /nfs/dbraw/zinc/12/29/21/528122921.db2.gz MJLGXVJWWVDIHH-IBGZPJMESA-N 2 0 368.522 0.357 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)CC2)CC1 ZINC000410572933 528193837 /nfs/dbraw/zinc/19/38/37/528193837.db2.gz NQUHPWHXDIPMJA-JYSRZZCRSA-N 2 0 362.518 0.872 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410781337 528248423 /nfs/dbraw/zinc/24/84/23/528248423.db2.gz BUOOADPRRIZGNB-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C)[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000411905150 528274662 /nfs/dbraw/zinc/27/46/62/528274662.db2.gz BFKOZVBOMTZWII-WNRNVDISSA-N 2 0 364.534 0.974 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410799093 528446261 /nfs/dbraw/zinc/44/62/61/528446261.db2.gz DDAJWPUMIVWMSX-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419392781 535080224 /nfs/dbraw/zinc/08/02/24/535080224.db2.gz LSKSOJZETLXQSK-KRWDZBQOSA-N 2 0 358.486 0.889 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419398975 535083046 /nfs/dbraw/zinc/08/30/46/535083046.db2.gz YAEUVWUTWCUZPR-QGZVFWFLSA-N 2 0 374.485 0.126 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420155879 535298305 /nfs/dbraw/zinc/29/83/05/535298305.db2.gz FBIBJPOCZNFYQE-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000419340931 535438068 /nfs/dbraw/zinc/43/80/68/535438068.db2.gz NSWOIIIWTHBZIT-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000444169456 535439638 /nfs/dbraw/zinc/43/96/38/535439638.db2.gz KGRQONCRSXIUQK-QMTMVMCOSA-N 2 0 368.522 0.578 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419587905 535478290 /nfs/dbraw/zinc/47/82/90/535478290.db2.gz NWUGHCMWPULJHW-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419882759 535523791 /nfs/dbraw/zinc/52/37/91/535523791.db2.gz MKRKEKKGVZSPPK-LBPRGKRZSA-N 2 0 352.401 0.587 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397203 535669017 /nfs/dbraw/zinc/66/90/17/535669017.db2.gz UKBJGVGVCVTLQQ-MSOLQXFVSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NCC[NH3+])CC1 ZINC000419303845 535746040 /nfs/dbraw/zinc/74/60/40/535746040.db2.gz SZNGKDNJXMXKLQ-CYBMUJFWSA-N 2 0 365.453 0.220 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415274781 535750918 /nfs/dbraw/zinc/75/09/18/535750918.db2.gz XQBOQLPGXKIJOK-OAHLLOKOSA-N 2 0 359.474 0.717 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896922 535771249 /nfs/dbraw/zinc/77/12/49/535771249.db2.gz YIBDJOGMGYHAOW-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419662356 535838693 /nfs/dbraw/zinc/83/86/93/535838693.db2.gz OGZCQAWTNZGQDW-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000417483400 535838895 /nfs/dbraw/zinc/83/88/95/535838895.db2.gz RSBLECHWBHZGGQ-UHFFFAOYSA-N 2 0 363.506 0.722 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419855585 535864267 /nfs/dbraw/zinc/86/42/67/535864267.db2.gz DCVXBDVCVMLYIP-INIZCTEOSA-N 2 0 350.438 0.569 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423368897 535867676 /nfs/dbraw/zinc/86/76/76/535867676.db2.gz NYDRCBXDACGMJW-UHFFFAOYSA-N 2 0 352.504 0.849 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423362000 535867797 /nfs/dbraw/zinc/86/77/97/535867797.db2.gz HMGJSAIWJCXVLM-HUUCEWRRSA-N 2 0 364.515 0.706 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442362236 535871199 /nfs/dbraw/zinc/87/11/99/535871199.db2.gz PPMIPSIFWQMMFQ-UHFFFAOYSA-N 2 0 368.570 0.338 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000419196424 535903812 /nfs/dbraw/zinc/90/38/12/535903812.db2.gz AYAPNBHBOYFYAV-LJQANCHMSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCSC1 ZINC000419592905 536140641 /nfs/dbraw/zinc/14/06/41/536140641.db2.gz XLBPSKXZORIYGJ-SFHVURJKSA-N 2 0 370.563 0.969 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423440427 536341110 /nfs/dbraw/zinc/34/11/10/536341110.db2.gz XGCOFOOJOIXORE-FMKPAKJESA-N 2 0 355.479 0.615 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423439200 536367035 /nfs/dbraw/zinc/36/70/35/536367035.db2.gz HQQBMPBWNDMNOL-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000419191133 536368422 /nfs/dbraw/zinc/36/84/22/536368422.db2.gz NVVJNCRFLDEJDK-GOSISDBHSA-N 2 0 358.486 0.896 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000419657275 536368758 /nfs/dbraw/zinc/36/87/58/536368758.db2.gz JMZOQMXBPATUMD-KBAYOESNSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000419657271 536368772 /nfs/dbraw/zinc/36/87/72/536368772.db2.gz JMZOQMXBPATUMD-BPQIPLTHSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419221464 536368954 /nfs/dbraw/zinc/36/89/54/536368954.db2.gz AQJSBOHGSHRUNE-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000415291738 536369637 /nfs/dbraw/zinc/36/96/37/536369637.db2.gz ACJZUBSOTBLAJD-OAHLLOKOSA-N 2 0 362.499 0.994 20 0 FCADRP C[N@H+](CCN1CCN(c2ccccc2)CC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700105 536372624 /nfs/dbraw/zinc/37/26/24/536372624.db2.gz KFVKULBHQZPCNG-IBGZPJMESA-N 2 0 373.545 0.938 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613919 536416290 /nfs/dbraw/zinc/41/62/90/536416290.db2.gz RXEYAZUYOHHBEX-GHTZIAJQSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415261570 536416353 /nfs/dbraw/zinc/41/63/53/536416353.db2.gz DSPLRCSDKPHYJZ-INIZCTEOSA-N 2 0 359.474 0.322 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419228832 536442652 /nfs/dbraw/zinc/44/26/52/536442652.db2.gz NDPMYNIWANDACC-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@]1(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360270 536653555 /nfs/dbraw/zinc/65/35/55/536653555.db2.gz QIWMYIKSWQTVEY-FCEWJHQRSA-N 2 0 353.507 0.960 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419757550 536746096 /nfs/dbraw/zinc/74/60/96/536746096.db2.gz UQAQSDDUTYGJIH-CABCVRRESA-N 2 0 368.522 0.578 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422295741 536746722 /nfs/dbraw/zinc/74/67/22/536746722.db2.gz FWUYYNQVQLUGLX-HNNXBMFYSA-N 2 0 368.522 0.545 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423656336 536775592 /nfs/dbraw/zinc/77/55/92/536775592.db2.gz WSJKDOJHKFDEJP-QGZVFWFLSA-N 2 0 368.522 0.533 20 0 FCADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CO2 ZINC000453109382 536990807 /nfs/dbraw/zinc/99/08/07/536990807.db2.gz ALHLRLDTCDCMNB-SFHVURJKSA-N 2 0 363.502 0.978 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418505441 546906687 /nfs/dbraw/zinc/90/66/87/546906687.db2.gz FJATXKYBDSWBBA-BBRMVZONSA-N 2 0 356.417 0.946 20 0 FCADRP COCCCn1nccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000549808827 547071073 /nfs/dbraw/zinc/07/10/73/547071073.db2.gz XJTNVTPOAMEZHZ-UHFFFAOYSA-N 2 0 351.495 0.809 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550385512 547084887 /nfs/dbraw/zinc/08/48/87/547084887.db2.gz HSLCKCHXGKUTMF-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000550456262 547087237 /nfs/dbraw/zinc/08/72/37/547087237.db2.gz CFNHHPZISLFYTC-ZBFHGGJFSA-N 2 0 354.495 0.058 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550658345 547094744 /nfs/dbraw/zinc/09/47/44/547094744.db2.gz JWADJXPBASADIM-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784065 547104838 /nfs/dbraw/zinc/10/48/38/547104838.db2.gz COVHWFVMADGHHH-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550838432 547109813 /nfs/dbraw/zinc/10/98/13/547109813.db2.gz HITIMYWZQRZKNN-YOEHRIQHSA-N 2 0 356.536 0.340 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000550840956 547111118 /nfs/dbraw/zinc/11/11/18/547111118.db2.gz XXBKAQOWWKWLKW-RLFYNMQTSA-N 2 0 370.563 0.871 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@H]1C ZINC000550952352 547117011 /nfs/dbraw/zinc/11/70/11/547117011.db2.gz SALLWYHROGUBMU-CVEARBPZSA-N 2 0 356.511 0.402 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000551048679 547122284 /nfs/dbraw/zinc/12/22/84/547122284.db2.gz LKDBGJXWAOGZLC-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000551210837 547134707 /nfs/dbraw/zinc/13/47/07/547134707.db2.gz ABDPSOSVZBVLAH-RHSMWYFYSA-N 2 0 356.536 0.340 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C(C)C ZINC000551215296 547135182 /nfs/dbraw/zinc/13/51/82/547135182.db2.gz JYUAVPIMTANRMA-QGZVFWFLSA-N 2 0 358.552 0.775 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216694 547135658 /nfs/dbraw/zinc/13/56/58/547135658.db2.gz ABTLKDJSVHEUOO-RDTXWAMCSA-N 2 0 368.547 0.673 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551499698 547149940 /nfs/dbraw/zinc/14/99/40/547149940.db2.gz VWUIBRUBJBCXFA-QZWWFDLISA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176146 547193611 /nfs/dbraw/zinc/19/36/11/547193611.db2.gz YNFYCNRBDKREOA-CVEARBPZSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000552289404 547198578 /nfs/dbraw/zinc/19/85/78/547198578.db2.gz XBOGSGCYJOLKSG-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000552623782 547219812 /nfs/dbraw/zinc/21/98/12/547219812.db2.gz FOVLOKXIVJLTAR-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552687196 547223565 /nfs/dbraw/zinc/22/35/65/547223565.db2.gz CENBWOJGINCQNZ-UXLLHSPISA-N 2 0 350.507 0.822 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000552970763 547243554 /nfs/dbraw/zinc/24/35/54/547243554.db2.gz OXENSSSHSQNZGJ-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000553367727 547273407 /nfs/dbraw/zinc/27/34/07/547273407.db2.gz YQZVVPKWJPFWKI-CABCVRRESA-N 2 0 354.495 0.202 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000553600705 547293439 /nfs/dbraw/zinc/29/34/39/547293439.db2.gz WDNYWUCRZJBLIY-QGZVFWFLSA-N 2 0 356.511 0.849 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686884 547300597 /nfs/dbraw/zinc/30/05/97/547300597.db2.gz JZEOZXPBSZROJF-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000553704966 547302092 /nfs/dbraw/zinc/30/20/92/547302092.db2.gz LAWKHBLRBIXGNF-FLOBVVSRSA-N 2 0 352.479 0.986 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000568802303 547317685 /nfs/dbraw/zinc/31/76/85/547317685.db2.gz LODBNMMAIKMHIM-CABCVRRESA-N 2 0 350.507 0.942 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356760 547337500 /nfs/dbraw/zinc/33/75/00/547337500.db2.gz WFSRYXHSJOVMKG-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000736767795 598890181 /nfs/dbraw/zinc/89/01/81/598890181.db2.gz SHQPNSPTVDMVRE-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000949868367 674414805 /nfs/dbraw/zinc/41/48/05/674414805.db2.gz LQDNZQDRYVMYKX-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000949940078 674416499 /nfs/dbraw/zinc/41/64/99/674416499.db2.gz JJIPOUMVNPWAFM-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000949943500 674416512 /nfs/dbraw/zinc/41/65/12/674416512.db2.gz CLULTJYWPLNWIV-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000950390225 674426628 /nfs/dbraw/zinc/42/66/28/674426628.db2.gz QRLJCIKFLSASLV-MUIFIZLQSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000950390042 674426686 /nfs/dbraw/zinc/42/66/86/674426686.db2.gz HKGZMKYREVMFJL-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269375 598518427 /nfs/dbraw/zinc/51/84/27/598518427.db2.gz WLADPYAXXBAOCA-ZIAGYGMSSA-N 2 0 359.482 0.959 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882870 598530227 /nfs/dbraw/zinc/53/02/27/598530227.db2.gz USAOZUIWUSNSAN-KGLIPLIRSA-N 2 0 359.482 0.815 20 0 FCADRP C[NH+](C)CC1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736758715 598533303 /nfs/dbraw/zinc/53/33/03/598533303.db2.gz JCCAGAOQXPPUAE-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736859208 599355635 /nfs/dbraw/zinc/35/56/35/599355635.db2.gz XMDHLDOTIMFGOD-HOCLYGCPSA-N 2 0 360.462 0.880 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736568907 599485279 /nfs/dbraw/zinc/48/52/79/599485279.db2.gz FNHAKZFRGSUUJP-CQSZACIVSA-N 2 0 369.477 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000954408364 674496428 /nfs/dbraw/zinc/49/64/28/674496428.db2.gz BYUJKOSVMFBZKQ-GDBMZVCRSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000955339541 674511295 /nfs/dbraw/zinc/51/12/95/674511295.db2.gz JHSGVYUFGFLNMZ-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825453493 609205218 /nfs/dbraw/zinc/20/52/18/609205218.db2.gz VCOAIBPFRAGKCY-AWEZNQCLSA-N 2 0 360.466 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000958029304 674558478 /nfs/dbraw/zinc/55/84/78/674558478.db2.gz PYHAARMBGJACNC-LTIDMASMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000989244513 665723438 /nfs/dbraw/zinc/72/34/38/665723438.db2.gz GQQVKEUIRPDBSN-BQJWPVKWSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969701251 663189862 /nfs/dbraw/zinc/18/98/62/663189862.db2.gz ULEMFLQNOWQRBT-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001022022487 663389054 /nfs/dbraw/zinc/38/90/54/663389054.db2.gz WSGMQBMIKOCDCA-YLFCFFPRSA-N 2 0 352.523 0.972 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891439224 663391335 /nfs/dbraw/zinc/39/13/35/663391335.db2.gz FZMSLANAEOLEMU-INIZCTEOSA-N 2 0 354.495 0.555 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001022104811 663404987 /nfs/dbraw/zinc/40/49/87/663404987.db2.gz DNGCYYFNCLPTNN-OVYGPGRDSA-N 2 0 350.507 0.822 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891536036 663412320 /nfs/dbraw/zinc/41/23/20/663412320.db2.gz BJCSRGHVQYVFEX-XQQFMLRXSA-N 2 0 352.401 0.876 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891535633 663412799 /nfs/dbraw/zinc/41/27/99/663412799.db2.gz LKRGYKVVRYQHPO-CRAIPNDOSA-N 2 0 351.495 0.513 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891547264 663413502 /nfs/dbraw/zinc/41/35/02/663413502.db2.gz ZCSQDCKOENYZLR-ZNMIVQPWSA-N 2 0 353.467 0.295 20 0 FCADRP [NH3+]CC1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891563536 663415801 /nfs/dbraw/zinc/41/58/01/663415801.db2.gz IUFSOZOMTDLADI-INIZCTEOSA-N 2 0 353.511 0.354 20 0 FCADRP COCCC1(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC000891604590 663418182 /nfs/dbraw/zinc/41/81/82/663418182.db2.gz ZCBRLJNDYCSYET-INIZCTEOSA-N 2 0 355.527 0.328 20 0 FCADRP CCc1noc([C@H](C)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000261973527 663443789 /nfs/dbraw/zinc/44/37/89/663443789.db2.gz BNHXHXNXBLMHEV-AWEZNQCLSA-N 2 0 350.467 0.133 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022425194 663447468 /nfs/dbraw/zinc/44/74/68/663447468.db2.gz IMIBDUWOPQEICU-LUKYLMHMSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891966723 663458566 /nfs/dbraw/zinc/45/85/66/663458566.db2.gz VEKKBQYVSFTKAE-KRWDZBQOSA-N 2 0 353.511 0.224 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000892081831 663474258 /nfs/dbraw/zinc/47/42/58/663474258.db2.gz FJJFXCKVLGTNKL-SJORKVTESA-N 2 0 353.511 0.224 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892090090 663474954 /nfs/dbraw/zinc/47/49/54/663474954.db2.gz CMRFLJFHRMSDJT-CABCVRRESA-N 2 0 351.495 0.500 20 0 FCADRP CCC1([NH3+])CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000892108007 663477218 /nfs/dbraw/zinc/47/72/18/663477218.db2.gz OQIZLEUGDQHCJB-GFCCVEGCSA-N 2 0 351.417 0.735 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109879 663477749 /nfs/dbraw/zinc/47/77/49/663477749.db2.gz XYZJBQOXWSCTSV-STQMWFEESA-N 2 0 351.417 0.735 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000892132713 663480508 /nfs/dbraw/zinc/48/05/08/663480508.db2.gz STORIPDHEDLUFN-WLYUNCDWSA-N 2 0 359.465 0.747 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892174541 663485439 /nfs/dbraw/zinc/48/54/39/663485439.db2.gz FGIHXFUTROWWBK-IKGGRYGDSA-N 2 0 353.511 0.210 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)[NH+](C)C ZINC000972246976 663511660 /nfs/dbraw/zinc/51/16/60/663511660.db2.gz WUTAZNKURSCCSL-NUJGCVRESA-N 2 0 350.507 0.728 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262117001 663513402 /nfs/dbraw/zinc/51/34/02/663513402.db2.gz VZSRRLJTBLERIC-HUUCEWRRSA-N 2 0 350.850 0.681 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892336034 663574689 /nfs/dbraw/zinc/57/46/89/663574689.db2.gz YKNSQCPOSRGQBJ-IAGOWNOFSA-N 2 0 354.495 0.338 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001023372531 663620014 /nfs/dbraw/zinc/62/00/14/663620014.db2.gz UFISJTCJQTYQIV-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CC[NH2+]CCC23CCOCC3)cn1 ZINC000904359568 665987578 /nfs/dbraw/zinc/98/75/78/665987578.db2.gz BUAONVPIJHHBDH-UHFFFAOYSA-N 2 0 350.467 0.821 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000959658935 674582313 /nfs/dbraw/zinc/58/23/13/674582313.db2.gz IZTYCTGLFVXQFC-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892865140 664150790 /nfs/dbraw/zinc/15/07/90/664150790.db2.gz GDSHLDNIVLUNES-YOEHRIQHSA-N 2 0 367.515 0.891 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892881507 664152684 /nfs/dbraw/zinc/15/26/84/664152684.db2.gz XNIYQAFLFNFMIN-ZDUSSCGKSA-N 2 0 368.503 0.853 20 0 FCADRP CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000893054045 664202036 /nfs/dbraw/zinc/20/20/36/664202036.db2.gz UDINOCFLGIBANA-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052218 664202156 /nfs/dbraw/zinc/20/21/56/664202156.db2.gz DKPSVRDSXNKGLT-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974189440 664227439 /nfs/dbraw/zinc/22/74/39/664227439.db2.gz GVEIDIGDIOMBPO-NQNKBUKLSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000977796496 664424239 /nfs/dbraw/zinc/42/42/39/664424239.db2.gz CPZOYRJALDLXEE-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000978870025 664447331 /nfs/dbraw/zinc/44/73/31/664447331.db2.gz ONDWSIAXLPTSRO-BPKGMFCQSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)N(C)C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283084 664864265 /nfs/dbraw/zinc/86/42/65/664864265.db2.gz MPWHMIGVRWONLJ-RGCFKVTRSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000983807135 664997706 /nfs/dbraw/zinc/99/77/06/664997706.db2.gz UGUOBLKGZVHKNA-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001029313831 665013904 /nfs/dbraw/zinc/01/39/04/665013904.db2.gz OJIGLHIWQMUDIG-BPKGMFCQSA-N 2 0 369.531 0.437 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300257 665079877 /nfs/dbraw/zinc/07/98/77/665079877.db2.gz FVQRPCXOTQMQGL-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000896455277 665085410 /nfs/dbraw/zinc/08/54/10/665085410.db2.gz MKDQFNMBMQAQRD-UHFFFAOYSA-N 2 0 351.491 0.668 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985160743 665137995 /nfs/dbraw/zinc/13/79/95/665137995.db2.gz KPKIKJGFSLIWBA-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000728791456 665165711 /nfs/dbraw/zinc/16/57/11/665165711.db2.gz DHTIQFALBUINCM-UHFFFAOYSA-N 2 0 355.552 0.441 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000985442588 665167608 /nfs/dbraw/zinc/16/76/08/665167608.db2.gz PWCDBWQZJQSMIE-YUELXQCFSA-N 2 0 350.463 0.055 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC000985439700 665167652 /nfs/dbraw/zinc/16/76/52/665167652.db2.gz XHAVOQAVAQWAQP-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000897488215 665293766 /nfs/dbraw/zinc/29/37/66/665293766.db2.gz YBAUOSFUXSKPSW-HZPDHXFCSA-N 2 0 351.495 0.419 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713900 666063423 /nfs/dbraw/zinc/06/34/23/666063423.db2.gz LNJFJLFNDUMJKW-ZWKOTPCHSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198648 666193482 /nfs/dbraw/zinc/19/34/82/666193482.db2.gz AXQJSVGOHNAGPU-ZWKOTPCHSA-N 2 0 352.523 0.460 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198645 666193488 /nfs/dbraw/zinc/19/34/88/666193488.db2.gz AXQJSVGOHNAGPU-MSOLQXFVSA-N 2 0 352.523 0.460 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909312573 666230782 /nfs/dbraw/zinc/23/07/82/666230782.db2.gz RJPRZAAGGMGDJH-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccs1 ZINC000910952275 666297982 /nfs/dbraw/zinc/29/79/82/666297982.db2.gz IWFZCBPUOZINJV-MJBXVCDLSA-N 2 0 350.488 0.535 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982070 666301828 /nfs/dbraw/zinc/30/18/28/666301828.db2.gz AFGFAHKSFXQTNK-HZPDHXFCSA-N 2 0 354.495 0.252 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911253841 666329948 /nfs/dbraw/zinc/32/99/48/666329948.db2.gz BIRQMFUSHSKAQE-CQSZACIVSA-N 2 0 354.495 0.189 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000911295245 666331883 /nfs/dbraw/zinc/33/18/83/666331883.db2.gz XVWKFCYSXVINLE-UHFFFAOYSA-N 2 0 354.539 0.972 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH3+])CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000911504000 666361706 /nfs/dbraw/zinc/36/17/06/666361706.db2.gz SHCZFFMMOLFUCF-UHFFFAOYSA-N 2 0 350.385 0.469 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000911529218 666362257 /nfs/dbraw/zinc/36/22/57/666362257.db2.gz AIQSXZJWODDLEN-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)C2)CC1 ZINC000911559825 666365976 /nfs/dbraw/zinc/36/59/76/666365976.db2.gz ZDZDAEQTAZHXLF-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912811522 666479208 /nfs/dbraw/zinc/47/92/08/666479208.db2.gz KLZZMVGYBLRYPA-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001031765115 666494894 /nfs/dbraw/zinc/49/48/94/666494894.db2.gz ARYYVDSZSYOTMB-IUODEOHRSA-N 2 0 351.451 0.078 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939491177 666516870 /nfs/dbraw/zinc/51/68/70/666516870.db2.gz SKDJLPSPRGQYQQ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000939880518 666530786 /nfs/dbraw/zinc/53/07/86/666530786.db2.gz PFRJTGYNZVANKL-DJIMGWMZSA-N 2 0 352.523 0.878 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880544 666530808 /nfs/dbraw/zinc/53/08/08/666530808.db2.gz QOWDNFHCHWUKDY-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1 ZINC000940297025 666544903 /nfs/dbraw/zinc/54/49/03/666544903.db2.gz ABJFHHSYYOXXNT-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1)OC ZINC000941412805 666627078 /nfs/dbraw/zinc/62/70/78/666627078.db2.gz LVVAGXPZIXGWDS-KBAYOESNSA-N 2 0 352.523 0.580 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000992400825 666636128 /nfs/dbraw/zinc/63/61/28/666636128.db2.gz NXJBCGYCNDWBRC-JKSUJKDBSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000731490604 666822847 /nfs/dbraw/zinc/82/28/47/666822847.db2.gz OZJAQJWOHUJLCO-UHFFFAOYSA-N 2 0 355.552 0.487 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734282622 666960939 /nfs/dbraw/zinc/96/09/39/666960939.db2.gz ORSWOURGTQUCSR-QGZVFWFLSA-N 2 0 356.511 0.849 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000999209219 667231838 /nfs/dbraw/zinc/23/18/38/667231838.db2.gz OXZAEGBTDLFCIY-HRCADAONSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001031683899 667268149 /nfs/dbraw/zinc/26/81/49/667268149.db2.gz BLVDWKPFONUXGF-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091055 667669848 /nfs/dbraw/zinc/66/98/48/667669848.db2.gz JTDJDHJNGGVGSJ-KURKYZTESA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000922872139 667689140 /nfs/dbraw/zinc/68/91/40/667689140.db2.gz IKBNBTNVMWTRJF-UHFFFAOYSA-N 2 0 353.511 0.176 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033834088 667739176 /nfs/dbraw/zinc/73/91/76/667739176.db2.gz NMYFUWXMTZXJPL-OWCLPIDISA-N 2 0 351.495 0.275 20 0 FCADRP CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407763 667739926 /nfs/dbraw/zinc/73/99/26/667739926.db2.gz SVOKJHAIJARPLY-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001034647212 667762152 /nfs/dbraw/zinc/76/21/52/667762152.db2.gz AFJDKROGHDVRSN-RYPNDVFKSA-N 2 0 350.463 0.149 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000946914269 667846013 /nfs/dbraw/zinc/84/60/13/667846013.db2.gz DKYWZFDQGVWJJD-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760497548 667851991 /nfs/dbraw/zinc/85/19/91/667851991.db2.gz UGUYSECBGIFYNY-INIZCTEOSA-N 2 0 367.563 0.441 20 0 FCADRP O=S(=O)(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923587424 667852540 /nfs/dbraw/zinc/85/25/40/667852540.db2.gz OCFRSCAWLZBCNQ-UHFFFAOYSA-N 2 0 352.504 0.433 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511554 668153977 /nfs/dbraw/zinc/15/39/77/668153977.db2.gz TUUAEAQOAWSZNZ-ZBFHGGJFSA-N 2 0 350.463 0.080 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511547 668154005 /nfs/dbraw/zinc/15/40/05/668154005.db2.gz TUUAEAQOAWSZNZ-GDBMZVCRSA-N 2 0 350.463 0.080 20 0 FCADRP CN(C1CCOCC1)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000780849240 668490620 /nfs/dbraw/zinc/49/06/20/668490620.db2.gz KUDWAKPCBVWPBV-UHFFFAOYSA-N 2 0 362.540 0.300 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000793701410 668943148 /nfs/dbraw/zinc/94/31/48/668943148.db2.gz QDZIBTHXHOUCIN-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793713354 668944870 /nfs/dbraw/zinc/94/48/70/668944870.db2.gz ONRUQLSCKPEKGH-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP COC(=O)[C@H]1[C@@H]2C[NH+](CCCCC[N@@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794968803 669003464 /nfs/dbraw/zinc/00/34/64/669003464.db2.gz LFZOAICDZKGUOS-QIYORIJCSA-N 2 0 350.459 0.858 20 0 FCADRP CSC1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+](C)CC1 ZINC000811876805 669776711 /nfs/dbraw/zinc/77/67/11/669776711.db2.gz ZZVZHYXGRGVGRM-GJZGRUSLSA-N 2 0 356.536 0.976 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834521984 669962272 /nfs/dbraw/zinc/96/22/72/669962272.db2.gz BBQJIQLPGMQOLD-AWEZNQCLSA-N 2 0 354.495 0.996 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000842087608 670632598 /nfs/dbraw/zinc/63/25/98/670632598.db2.gz BTXIMFSGBBHFDD-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000842202090 670648204 /nfs/dbraw/zinc/64/82/04/670648204.db2.gz CWROPCUGKZZUNV-UHFFFAOYSA-N 2 0 354.495 0.252 20 0 FCADRP COC(=O)c1c(F)ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1F ZINC000842480697 670693247 /nfs/dbraw/zinc/69/32/47/670693247.db2.gz AEUOAUMFARXMDB-UHFFFAOYSA-N 2 0 365.402 0.440 20 0 FCADRP C[C@H]1CC2(C[N@@H+]1CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CCOCC2 ZINC000842637845 670705952 /nfs/dbraw/zinc/70/59/52/670705952.db2.gz UAJVVBIXZUKXKW-AWEZNQCLSA-N 2 0 350.463 0.851 20 0 FCADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843349273 670803669 /nfs/dbraw/zinc/80/36/69/670803669.db2.gz QJXMSMGWQFWGMK-CYBMUJFWSA-N 2 0 351.451 0.204 20 0 FCADRP CCN(C(=O)[C@H]1CCCC[NH+]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968112663 675184257 /nfs/dbraw/zinc/18/42/57/675184257.db2.gz CGXBIIOTSXPKQW-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849115684 671318841 /nfs/dbraw/zinc/31/88/41/671318841.db2.gz AXEYPQBXUNBLTP-INIZCTEOSA-N 2 0 353.511 0.466 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000852746658 671523129 /nfs/dbraw/zinc/52/31/29/671523129.db2.gz NWZOMPCWCHCLKL-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000903566904 675946258 /nfs/dbraw/zinc/94/62/58/675946258.db2.gz LWYMKUKUUKEONZ-HNNXBMFYSA-N 2 0 357.524 0.872 20 0 FCADRP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724409 675963995 /nfs/dbraw/zinc/96/39/95/675963995.db2.gz NFHIRKRSWJABHM-HOTGVXAUSA-N 2 0 359.536 0.939 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000861751077 671990896 /nfs/dbraw/zinc/99/08/96/671990896.db2.gz YSZQUVBACOKMCA-CYBMUJFWSA-N 2 0 350.438 0.712 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CCCC2)CC1 ZINC000861772202 671994052 /nfs/dbraw/zinc/99/40/52/671994052.db2.gz QAYPXYHPVUUSNZ-AWEZNQCLSA-N 2 0 354.495 0.332 20 0 FCADRP O=S(=O)(N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000863552490 672137103 /nfs/dbraw/zinc/13/71/03/672137103.db2.gz SIGRMWANVJOGCS-LBPRGKRZSA-N 2 0 359.414 0.347 20 0 FCADRP O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903914846 675982035 /nfs/dbraw/zinc/98/20/35/675982035.db2.gz LGUKSXVWAOYMFH-NEPJUHHUSA-N 2 0 360.384 0.703 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC000864784018 672210358 /nfs/dbraw/zinc/21/03/58/672210358.db2.gz DBQFMKHDOMANCW-GOEBONIOSA-N 2 0 350.467 0.561 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/CN1CCOCC1 ZINC000865088932 672225366 /nfs/dbraw/zinc/22/53/66/672225366.db2.gz KLPGXEGWKSRHNJ-IWHGQQBYSA-N 2 0 352.523 0.749 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CC4CCOCC4)C3)C2)CC[N@@H+]1C ZINC001053806507 675998563 /nfs/dbraw/zinc/99/85/63/675998563.db2.gz JZWIYQNIUJZBQP-HYVNUMGLSA-N 2 0 351.491 0.713 20 0 FCADRP CC[C@H](F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583409 676025298 /nfs/dbraw/zinc/02/52/98/676025298.db2.gz MPBDDKYIWQPSFQ-BMFZPTHFSA-N 2 0 356.486 0.772 20 0 FCADRP CS[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583664 676025343 /nfs/dbraw/zinc/02/53/43/676025343.db2.gz XLJUNMSAWJQKKD-IJEWVQPXSA-N 2 0 370.563 0.775 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001001418776 676071258 /nfs/dbraw/zinc/07/12/58/676071258.db2.gz MCHGXWWIDUKRRH-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(S(N)(=O)=O)c3)CC2)CC1 ZINC000876992033 672991797 /nfs/dbraw/zinc/99/17/97/672991797.db2.gz KCFPAPPNTSLCRO-UHFFFAOYSA-N 2 0 366.531 0.982 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877015928 672993459 /nfs/dbraw/zinc/99/34/59/672993459.db2.gz GCLIJLIJWFOOGG-OAHLLOKOSA-N 2 0 354.520 0.697 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCO1 ZINC001051620658 676106072 /nfs/dbraw/zinc/10/60/72/676106072.db2.gz UFQIONJUZLCJFM-KURKYZTESA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001052394856 676122842 /nfs/dbraw/zinc/12/28/42/676122842.db2.gz FVQAUUROISJHJF-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)CC1 ZINC001052389513 676122971 /nfs/dbraw/zinc/12/29/71/676122971.db2.gz UQLUARPUBITTHO-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP CNS(=O)(=O)c1ccccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882679337 673336678 /nfs/dbraw/zinc/33/66/78/673336678.db2.gz UXZPCMYINWEXNC-HUUCEWRRSA-N 2 0 354.520 0.770 20 0 FCADRP COC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883228789 673369303 /nfs/dbraw/zinc/36/93/03/673369303.db2.gz UPERFIFDGCHZIN-ROUUACIJSA-N 2 0 355.523 0.814 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900752 673402039 /nfs/dbraw/zinc/40/20/39/673402039.db2.gz QBCCCZZTRXNYKY-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884524489 673459707 /nfs/dbraw/zinc/45/97/07/673459707.db2.gz YZRHXQVJHFYCJP-ZDUSSCGKSA-N 2 0 360.449 0.728 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884555659 673461924 /nfs/dbraw/zinc/46/19/24/673461924.db2.gz WXGPGCPFPJMENM-ZXYWRSMDSA-N 2 0 350.507 0.809 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560393 673462278 /nfs/dbraw/zinc/46/22/78/673462278.db2.gz WULPOIOTZSLCFG-GJZGRUSLSA-N 2 0 352.479 0.086 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000884576441 673463306 /nfs/dbraw/zinc/46/33/06/673463306.db2.gz HQECXTQQWFBQLS-OLZOCXBDSA-N 2 0 364.412 0.430 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884597492 673464702 /nfs/dbraw/zinc/46/47/02/673464702.db2.gz BVEAACWCJCNPJE-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884601295 673465065 /nfs/dbraw/zinc/46/50/65/673465065.db2.gz HEKBXQQNNHOZCE-SDDRHHMPSA-N 2 0 352.401 0.429 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884601830 673465165 /nfs/dbraw/zinc/46/51/65/673465165.db2.gz WRYPOJWKIHEZMQ-ROKHWSDSSA-N 2 0 360.449 0.584 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000884603853 673465494 /nfs/dbraw/zinc/46/54/94/673465494.db2.gz SXCSPEGIPDTNNT-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612541 673465875 /nfs/dbraw/zinc/46/58/75/673465875.db2.gz NWDCEPATFIQTME-QZTJIDSGSA-N 2 0 368.547 0.532 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000884626437 673467216 /nfs/dbraw/zinc/46/72/16/673467216.db2.gz LJUQRWUMLJJFKQ-VCBZYWHSSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000884631480 673468099 /nfs/dbraw/zinc/46/80/99/673468099.db2.gz LRKOBSNBOPMSBH-UPJWGTAASA-N 2 0 362.396 0.183 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000884645040 673469509 /nfs/dbraw/zinc/46/95/09/673469509.db2.gz NZQLWQYFNRJQRI-ZIAGYGMSSA-N 2 0 360.449 0.728 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000884719787 673476334 /nfs/dbraw/zinc/47/63/34/673476334.db2.gz ZDXTVOPUMIOMEE-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884786339 673482288 /nfs/dbraw/zinc/48/22/88/673482288.db2.gz OCTIWDCXWLFYAO-ZIAGYGMSSA-N 2 0 360.449 0.584 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884787603 673482325 /nfs/dbraw/zinc/48/23/25/673482325.db2.gz WYGZYJDIHMSZMC-NSHDSACASA-N 2 0 351.476 0.087 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC[C@@H]21 ZINC000884879729 673488256 /nfs/dbraw/zinc/48/82/56/673488256.db2.gz MFEPVVUYRMMMNY-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000884966743 673493858 /nfs/dbraw/zinc/49/38/58/673493858.db2.gz RYHXERBTTOACOF-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967444 673494113 /nfs/dbraw/zinc/49/41/13/673494113.db2.gz FSPJWFZDDVTOQW-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000884967711 673494122 /nfs/dbraw/zinc/49/41/22/673494122.db2.gz KHSXUIVDSXVOOL-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885009843 673497600 /nfs/dbraw/zinc/49/76/00/673497600.db2.gz DVYPPLBNGPPRAS-NXOAAHMSSA-N 2 0 350.507 0.727 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000885275420 673511058 /nfs/dbraw/zinc/51/10/58/673511058.db2.gz FCSHOMGZZQYXIA-KBPBESRZSA-N 2 0 358.433 0.434 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285764 673512195 /nfs/dbraw/zinc/51/21/95/673512195.db2.gz SSCXGTQYRHEEQV-UONOGXRCSA-N 2 0 360.449 0.538 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885290162 673512865 /nfs/dbraw/zinc/51/28/65/673512865.db2.gz BZPKEVRADKBVJD-AWEZNQCLSA-N 2 0 360.449 0.682 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621799 673593616 /nfs/dbraw/zinc/59/36/16/673593616.db2.gz BNLJXBFAYASZQN-YQVWRLOYSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000886837163 673601716 /nfs/dbraw/zinc/60/17/16/673601716.db2.gz BYLMCNBTNZCOLE-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000886900558 673609051 /nfs/dbraw/zinc/60/90/51/673609051.db2.gz BAPRFSVYNQONKU-QGZVFWFLSA-N 2 0 358.552 0.419 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887080803 673620799 /nfs/dbraw/zinc/62/07/99/673620799.db2.gz FYVKGSOCKGELSK-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926347995 673825402 /nfs/dbraw/zinc/82/54/02/673825402.db2.gz SRCMKJFYBBMIPZ-AWEZNQCLSA-N 2 0 352.504 0.836 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926347996 673825488 /nfs/dbraw/zinc/82/54/88/673825488.db2.gz SRCMKJFYBBMIPZ-CQSZACIVSA-N 2 0 352.504 0.836 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001007377600 675288553 /nfs/dbraw/zinc/28/85/53/675288553.db2.gz WXWOKUXXHGRQLC-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011209808 675376992 /nfs/dbraw/zinc/37/69/92/675376992.db2.gz RMTNFRWOECTARD-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019151696 675422051 /nfs/dbraw/zinc/42/20/51/675422051.db2.gz IDKPCWMSCGDHHO-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001020171116 675436111 /nfs/dbraw/zinc/43/61/11/675436111.db2.gz OHFGSCCBDFSZAY-QBPKDAKJSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001020171189 675436225 /nfs/dbraw/zinc/43/62/25/675436225.db2.gz RFSIDDSLKBFXJZ-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900695247 675708501 /nfs/dbraw/zinc/70/85/01/675708501.db2.gz OJFKYCXGRXENHU-UHFFFAOYSA-N 2 0 350.511 0.448 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000900698318 675709016 /nfs/dbraw/zinc/70/90/16/675709016.db2.gz FVYFDJGXWADLIC-UHFFFAOYSA-N 2 0 353.555 0.546 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001047241282 675788502 /nfs/dbraw/zinc/78/85/02/675788502.db2.gz PGUNBCLBUDCAHK-HYVNUMGLSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897488754 1192191588 /nfs/dbraw/zinc/19/15/88/1192191588.db2.gz LJCYVKUPSGIJLG-GJZGRUSLSA-N 2 0 356.430 0.520 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000897497141 1192214013 /nfs/dbraw/zinc/21/40/13/1192214013.db2.gz VUMXMPQPXXEVIF-KBAYOESNSA-N 2 0 371.485 0.862 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000988496427 1192225704 /nfs/dbraw/zinc/22/57/04/1192225704.db2.gz ISWQUMBELFBAQV-PVAVHDDUSA-N 2 0 361.490 0.943 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001772503059 1167729401 /nfs/dbraw/zinc/72/94/01/1167729401.db2.gz PMUFSADORQZEOM-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC001772504235 1167875519 /nfs/dbraw/zinc/87/55/19/1167875519.db2.gz NFKNWDBCLLIDJT-ZWKOTPCHSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001020488436 1167915826 /nfs/dbraw/zinc/91/58/26/1167915826.db2.gz YVNSHPSMIIVSPA-JSRQGNBESA-N 2 0 366.506 0.295 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000988544547 1192272455 /nfs/dbraw/zinc/27/24/55/1192272455.db2.gz MXZYJTZUUHYFHL-BPQIPLTHSA-N 2 0 364.534 0.975 20 0 FCADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001020613432 1168160779 /nfs/dbraw/zinc/16/07/79/1168160779.db2.gz ZMAOJYXLFMGJKA-QQXKLLMISA-N 2 0 370.497 0.799 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001167095536 1168200140 /nfs/dbraw/zinc/20/01/40/1168200140.db2.gz CZEJRBSWKLLLMK-FGTMMUONSA-N 2 0 358.486 0.706 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193674 1168275534 /nfs/dbraw/zinc/27/55/34/1168275534.db2.gz COEJATFJTXDKPN-AYOQOUSVSA-N 2 0 361.486 0.697 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104289005 1169390382 /nfs/dbraw/zinc/39/03/82/1169390382.db2.gz BRHIHGYCWNJGDB-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104291311 1169650826 /nfs/dbraw/zinc/65/08/26/1169650826.db2.gz LPXUNNBZZZHIPC-LSBZLQRGSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104294697 1169691073 /nfs/dbraw/zinc/69/10/73/1169691073.db2.gz XZRRNAPTIYTCLF-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)c4cnc[nH]4)C[C@H]32)C1 ZINC001021698817 1169892815 /nfs/dbraw/zinc/89/28/15/1169892815.db2.gz HQNOUAWGFDQNLL-RRFJBIMHSA-N 2 0 359.474 0.698 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC001021698576 1169893016 /nfs/dbraw/zinc/89/30/16/1169893016.db2.gz GVLWCSGYHVEMMF-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC001021699318 1169894448 /nfs/dbraw/zinc/89/44/48/1169894448.db2.gz OSZMEJSBJMFKAO-GVDBMIGSSA-N 2 0 360.502 0.626 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375074 1170158931 /nfs/dbraw/zinc/15/89/31/1170158931.db2.gz NBCKSQCANRCDNC-GCSSGZNBSA-N 2 0 363.462 0.190 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581474653 1170363927 /nfs/dbraw/zinc/36/39/27/1170363927.db2.gz BJAFIDOICGBIJO-INIZCTEOSA-N 2 0 362.474 0.867 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC001022035386 1170445139 /nfs/dbraw/zinc/44/51/39/1170445139.db2.gz KWZOJZWJYLEKDO-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891443719 1170503215 /nfs/dbraw/zinc/50/32/15/1170503215.db2.gz DONLVZYYIYZBKI-SJORKVTESA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC1 ZINC001022217543 1170765074 /nfs/dbraw/zinc/76/50/74/1170765074.db2.gz QVIPJPUNVRIZQF-DLBZAZTESA-N 2 0 360.502 0.483 20 0 FCADRP O=C(CCn1ccnc1)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217297 1170765318 /nfs/dbraw/zinc/76/53/18/1170765318.db2.gz JPHYMTRHWRETFO-JKSUJKDBSA-N 2 0 357.458 0.428 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@@H+]1C ZINC001022216954 1170765605 /nfs/dbraw/zinc/76/56/05/1170765605.db2.gz CWLUTWCCVDTVFJ-YYIAUSFCSA-N 2 0 360.502 0.482 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@@H](C)O1 ZINC000891728721 1170837265 /nfs/dbraw/zinc/83/72/65/1170837265.db2.gz OKCIWMRVQJNOMJ-TVFCKZIOSA-N 2 0 368.522 0.726 20 0 FCADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CCC(=O)NC1=O ZINC001691181038 1170851510 /nfs/dbraw/zinc/85/15/10/1170851510.db2.gz OHGKUZSHXSTQQG-ZNMIVQPWSA-N 2 0 352.479 0.350 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022427577 1171055399 /nfs/dbraw/zinc/05/53/99/1171055399.db2.gz YXDYIPDTQGHTNV-YESZJQIVSA-N 2 0 359.474 0.735 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691314124 1171074780 /nfs/dbraw/zinc/07/47/80/1171074780.db2.gz HKZRPKVLJITBHN-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001691324878 1171099147 /nfs/dbraw/zinc/09/91/47/1171099147.db2.gz ZDLZFDXPRIIHRS-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1OCC ZINC001691338182 1171144949 /nfs/dbraw/zinc/14/49/49/1171144949.db2.gz YBYJICRKZHCIAB-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691382405 1171242768 /nfs/dbraw/zinc/24/27/68/1171242768.db2.gz SOIQQCVYKLQPDN-IKGGRYGDSA-N 2 0 352.523 0.927 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000892007257 1171474445 /nfs/dbraw/zinc/47/44/45/1171474445.db2.gz PMXRIJFVXFAIJC-QXSJWSMHSA-N 2 0 365.478 0.471 20 0 FCADRP C[C@@]1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060898 1171540592 /nfs/dbraw/zinc/54/05/92/1171540592.db2.gz VNMHOLXDLLZAMS-PKOBYXMFSA-N 2 0 367.538 0.472 20 0 FCADRP C[C@]1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060895 1171540736 /nfs/dbraw/zinc/54/07/36/1171540736.db2.gz VNMHOLXDLLZAMS-HKUYNNGSSA-N 2 0 367.538 0.472 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000988779257 1192472886 /nfs/dbraw/zinc/47/28/86/1192472886.db2.gz DIQHKKHWBGOYAX-OLMNPRSZSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]21 ZINC001022718015 1171806886 /nfs/dbraw/zinc/80/68/86/1171806886.db2.gz QYSNEOLIJWROGS-YQQAZPJKSA-N 2 0 359.474 0.506 20 0 FCADRP C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)c1nnnn1C ZINC001087208795 1171823924 /nfs/dbraw/zinc/82/39/24/1171823924.db2.gz WSHQCLHXJFADDN-YCPHGPKFSA-N 2 0 363.510 0.830 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)C[C@H]32)C1 ZINC000972239089 1171878582 /nfs/dbraw/zinc/87/85/82/1171878582.db2.gz YSISKFZNLJHSKN-UWWQBHOKSA-N 2 0 367.453 0.959 20 0 FCADRP C[NH+](C)CCN1CC2(CN(C(=O)c3cnc4cc[nH]cc3-4)C2)OCC1=O ZINC001272122979 1192507025 /nfs/dbraw/zinc/50/70/25/1192507025.db2.gz IQGMJWOVIFNYTH-UHFFFAOYSA-N 2 0 357.414 0.178 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C2)C1 ZINC001272134570 1192572676 /nfs/dbraw/zinc/57/26/76/1192572676.db2.gz LLVQUFUERFBOLU-UHFFFAOYSA-N 2 0 358.446 0.228 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)CC1 ZINC001691570296 1192886868 /nfs/dbraw/zinc/88/68/68/1192886868.db2.gz ALQXBZXKUITMOD-SJORKVTESA-N 2 0 362.518 0.731 20 0 FCADRP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001691578652 1192891417 /nfs/dbraw/zinc/89/14/17/1192891417.db2.gz HOYLDCSSQZGMTI-CVEARBPZSA-N 2 0 369.531 0.297 20 0 FCADRP COCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433407 1178839343 /nfs/dbraw/zinc/83/93/43/1178839343.db2.gz AZGXJAAJMNKTQH-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001023381465 1179512549 /nfs/dbraw/zinc/51/25/49/1179512549.db2.gz OEYXSYAFUBMCOE-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cnn(C)n2)C1 ZINC001087248233 1180009932 /nfs/dbraw/zinc/00/99/32/1180009932.db2.gz UUWVIQVJFPFCER-HYVNUMGLSA-N 2 0 364.494 0.253 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001023690583 1180110323 /nfs/dbraw/zinc/11/03/23/1180110323.db2.gz PVZNRQNRJCTAOH-GVDBMIGSSA-N 2 0 366.506 0.035 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CC(=O)NC(C)C ZINC001691478050 1180181539 /nfs/dbraw/zinc/18/15/39/1180181539.db2.gz PNFBSILMVQPHLF-YESZJQIVSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CC1 ZINC000972649980 1180188657 /nfs/dbraw/zinc/18/86/57/1180188657.db2.gz WNTXBZVSHSRCLP-KURKYZTESA-N 2 0 362.518 0.728 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)[NH+](C)C ZINC000972665262 1180218222 /nfs/dbraw/zinc/21/82/22/1180218222.db2.gz PXFIHAVWCGOFCA-ZACQAIPSSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[nH]2)CC[N@@H+]1C ZINC001087257525 1180337682 /nfs/dbraw/zinc/33/76/82/1180337682.db2.gz XHNOSHGLVXHYFT-VNHYZAJKSA-N 2 0 363.462 0.265 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001112518650 1180838627 /nfs/dbraw/zinc/83/86/27/1180838627.db2.gz VERZSMPBGMERQD-YRNRMSPPSA-N 2 0 362.518 0.825 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024155470 1180911097 /nfs/dbraw/zinc/91/10/97/1180911097.db2.gz RLWWAHBVCGLAJV-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001112522320 1181272788 /nfs/dbraw/zinc/27/27/88/1181272788.db2.gz QRIRBXVXTRDTNO-JXFKEZNVSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024861913 1181701377 /nfs/dbraw/zinc/70/13/77/1181701377.db2.gz MEEZRXMCBBLVJL-IXDOHACOSA-N 2 0 371.441 0.120 20 0 FCADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545366 1181852719 /nfs/dbraw/zinc/85/27/19/1181852719.db2.gz VLUVTUADILFCBJ-PKOBYXMFSA-N 3 0 372.517 0.939 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892601437 1181914586 /nfs/dbraw/zinc/91/45/86/1181914586.db2.gz CRWWMNINMMSMOD-BJWYYQGGSA-N 2 0 365.522 0.713 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000892650818 1182003769 /nfs/dbraw/zinc/00/37/69/1182003769.db2.gz QZBWYAUQXIGXDX-IKGGRYGDSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104699554 1182379318 /nfs/dbraw/zinc/37/93/18/1182379318.db2.gz YDMVTAAYVYZXPS-KBUPBQIOSA-N 2 0 372.477 0.322 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104699457 1182379474 /nfs/dbraw/zinc/37/94/74/1182379474.db2.gz UMGJSMSUXVDPAC-KLHDSHLOSA-N 2 0 371.489 0.927 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777468 1182498154 /nfs/dbraw/zinc/49/81/54/1182498154.db2.gz JVFMNUCTFSGWEE-KRWDZBQOSA-N 2 0 368.522 0.633 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892788108 1182507129 /nfs/dbraw/zinc/50/71/29/1182507129.db2.gz BJLDWOVTFOJBGF-MSOLQXFVSA-N 2 0 373.501 0.730 20 0 FCADRP CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+](C)CC1 ZINC000892837032 1182537441 /nfs/dbraw/zinc/53/74/41/1182537441.db2.gz UTNITXSBLLYXQK-UHFFFAOYSA-N 2 0 367.538 0.520 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104811903 1182933833 /nfs/dbraw/zinc/93/38/33/1182933833.db2.gz JFQLCAIDJKOZBN-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCC(O)CC2)Cc2ccccc2C1 ZINC000893192631 1182934997 /nfs/dbraw/zinc/93/49/97/1182934997.db2.gz ZHBIERXEBVZAHW-UHFFFAOYSA-N 2 0 360.502 0.842 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O ZINC001104908166 1182990771 /nfs/dbraw/zinc/99/07/71/1182990771.db2.gz MBYOSIOHMAOCJY-ZACQAIPSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC1CC1 ZINC001104912201 1182992464 /nfs/dbraw/zinc/99/24/64/1182992464.db2.gz OFAVLZAERCBSCP-OWCLPIDISA-N 2 0 362.518 0.824 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104938282 1183011606 /nfs/dbraw/zinc/01/16/06/1183011606.db2.gz RSXYPJODKRIRLB-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CN(CC)CCO3)C2)CC[N@@H+]1C ZINC000974190831 1183042134 /nfs/dbraw/zinc/04/21/34/1183042134.db2.gz JTKPAWIXVFVYTI-DMRKSPOLSA-N 2 0 366.506 0.201 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014158 1183069520 /nfs/dbraw/zinc/06/95/20/1183069520.db2.gz FOLNGEOWZQKGCO-IAGOWNOFSA-N 2 0 367.538 0.864 20 0 FCADRP O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000974270974 1183079014 /nfs/dbraw/zinc/07/90/14/1183079014.db2.gz BLCXSSNTWUUZCY-LXTVHRRPSA-N 2 0 357.458 0.905 20 0 FCADRP CCn1ncc(C[NH2+]C2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)n1 ZINC001026514988 1183146023 /nfs/dbraw/zinc/14/60/23/1183146023.db2.gz YLMPYKVLSDGLSM-ARAOSMHQSA-N 2 0 364.494 0.534 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578244 1183349790 /nfs/dbraw/zinc/34/97/90/1183349790.db2.gz XRSOTTVDHMGNRL-LZLYRXPVSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974587611 1183354324 /nfs/dbraw/zinc/35/43/24/1183354324.db2.gz AJWYQGQZPUROHN-IIDMSEBBSA-N 2 0 371.485 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cn(CC4CC4)nn3)C2)CC[N@@H+]1C ZINC001026851263 1183411719 /nfs/dbraw/zinc/41/17/19/1183411719.db2.gz AVWAGVYQEKOWAY-QGPMSJSTSA-N 2 0 360.506 0.966 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001026916373 1183490437 /nfs/dbraw/zinc/49/04/37/1183490437.db2.gz GUCUFHZSIOZPIN-VNHYZAJKSA-N 2 0 362.478 0.339 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975216313 1183780244 /nfs/dbraw/zinc/78/02/44/1183780244.db2.gz QDDULAOGPAZZBQ-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975715134 1185626538 /nfs/dbraw/zinc/62/65/38/1185626538.db2.gz VPYKDQDBSLSVQM-IRXDYDNUSA-N 2 0 360.502 0.627 20 0 FCADRP COc1ccnc(CN2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1 ZINC001027966805 1186241429 /nfs/dbraw/zinc/24/14/29/1186241429.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 0 362.474 0.890 20 0 FCADRP COc1cncc(CN2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001027966345 1186241605 /nfs/dbraw/zinc/24/16/05/1186241605.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 0 363.462 0.285 20 0 FCADRP CCn1nnc(C)c1CN1CCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027966427 1186241838 /nfs/dbraw/zinc/24/18/38/1186241838.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 0 364.494 0.406 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211703005 1186597266 /nfs/dbraw/zinc/59/72/66/1186597266.db2.gz PGGPSKCKWHXGKO-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cn1 ZINC000893871303 1187519940 /nfs/dbraw/zinc/51/99/40/1187519940.db2.gz JJKVTRLNZOXNGK-HZPDHXFCSA-N 2 0 359.474 0.730 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000937168819 1187569833 /nfs/dbraw/zinc/56/98/33/1187569833.db2.gz OJPGYABSHTYUFA-LAVFITLUSA-N 2 0 362.518 0.870 20 0 FCADRP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000894255723 1187815365 /nfs/dbraw/zinc/81/53/65/1187815365.db2.gz IGPOGXCYGBBBAF-QGZVFWFLSA-N 2 0 368.522 0.849 20 0 FCADRP Cc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]3CC2)n(C)n1 ZINC001269992284 1187961448 /nfs/dbraw/zinc/96/14/48/1187961448.db2.gz FFGOYXWXXWNPOX-GASCZTMLSA-N 2 0 361.494 0.224 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001270060932 1187984514 /nfs/dbraw/zinc/98/45/14/1187984514.db2.gz GBFYMQJQZLHAKW-KDOFPFPSSA-N 2 0 362.478 0.326 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)C2CC[NH+](C)CC2)CC1 ZINC001270103174 1188010809 /nfs/dbraw/zinc/01/08/09/1188010809.db2.gz XHTFTWZNBGXKRV-UZLBHIALSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@]23CC(=O)N(CCn2ccnc2)C3)C1 ZINC001270488741 1188171270 /nfs/dbraw/zinc/17/12/70/1188171270.db2.gz DJHPKTFRYONEHI-QFBILLFUSA-N 2 0 359.474 0.818 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030738 1188212830 /nfs/dbraw/zinc/21/28/30/1188212830.db2.gz MQWNRXLZXPHMRD-YJBOKZPZSA-N 2 0 374.485 0.767 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033758 1188212931 /nfs/dbraw/zinc/21/29/31/1188212931.db2.gz HLACFYDTXWFAIX-IEBWSBKVSA-N 2 0 372.513 0.876 20 0 FCADRP CCOC1CC(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)(N2CCOCC2)C1 ZINC000894463946 1188220198 /nfs/dbraw/zinc/22/01/98/1188220198.db2.gz BMCDSGJYGNJQAU-FXQQTDPRSA-N 2 0 366.506 0.602 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000550377917 1188343510 /nfs/dbraw/zinc/34/35/10/1188343510.db2.gz ZQPUCKQMYRBEMS-KRWDZBQOSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983809989 1188349239 /nfs/dbraw/zinc/34/92/39/1188349239.db2.gz XIVDIWRIOCSYHV-IKGGRYGDSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075784995 1188358206 /nfs/dbraw/zinc/35/82/06/1188358206.db2.gz NTXOUEFDDMTRNL-YESZJQIVSA-N 2 0 363.506 0.417 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550455407 1189488079 /nfs/dbraw/zinc/48/80/79/1189488079.db2.gz KIVRJRYSGSASKH-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000984263293 1189744754 /nfs/dbraw/zinc/74/47/54/1189744754.db2.gz XXJCTKOBVPIYFN-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908792 1189893649 /nfs/dbraw/zinc/89/36/49/1189893649.db2.gz NLFYLHMFBIOJSA-FGTMMUONSA-N 2 0 360.506 0.769 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908683 1189894503 /nfs/dbraw/zinc/89/45/03/1189894503.db2.gz KHHAAIDRIVSRNV-RYRKJORJSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CCC[C@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008278 1189913402 /nfs/dbraw/zinc/91/34/02/1189913402.db2.gz CCIFCUGMKUSOPX-DLBZAZTESA-N 2 0 374.489 0.731 20 0 FCADRP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896468693 1190064550 /nfs/dbraw/zinc/06/45/50/1190064550.db2.gz BZGVBLBEBHDYAR-GOSISDBHSA-N 2 0 369.554 0.860 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896748650 1190121086 /nfs/dbraw/zinc/12/10/86/1190121086.db2.gz KPDQJDYWUZNGGC-OKZBNKHCSA-N 2 0 366.506 0.480 20 0 FCADRP O=C(N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026399 1190261706 /nfs/dbraw/zinc/26/17/06/1190261706.db2.gz HZSGBILLYWOAAD-IKGGRYGDSA-N 2 0 360.502 0.674 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027954 1190267080 /nfs/dbraw/zinc/26/70/80/1190267080.db2.gz NVSDMSKKELNZSH-IMJJTQAJSA-N 2 0 355.442 0.863 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028123 1190268559 /nfs/dbraw/zinc/26/85/59/1190268559.db2.gz WSWIAYFMJFJNQI-VYDXJSESSA-N 2 0 355.442 0.992 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)C[NH+]1CCCC1 ZINC000984920960 1190278617 /nfs/dbraw/zinc/27/86/17/1190278617.db2.gz RJSXBAQUXHCZGD-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088042069 1190299764 /nfs/dbraw/zinc/29/97/64/1190299764.db2.gz WJCMVVSRLYTVNI-KMFMINBZSA-N 2 0 353.426 0.617 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090316 1190538843 /nfs/dbraw/zinc/53/88/43/1190538843.db2.gz HNJUWBOQRCOTEE-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088091727 1190544811 /nfs/dbraw/zinc/54/48/11/1190544811.db2.gz XZQYKTVEZCDHDS-OIISXLGYSA-N 2 0 362.518 0.776 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)C1 ZINC001088104956 1190590032 /nfs/dbraw/zinc/59/00/32/1190590032.db2.gz KUVUKEJTDNWZCF-SJORKVTESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106664 1190594442 /nfs/dbraw/zinc/59/44/42/1190594442.db2.gz LPAAGTPGGOQEHV-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001088318100 1190728675 /nfs/dbraw/zinc/72/86/75/1190728675.db2.gz XNBSNYUMTDWSHX-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@](C[NH2+]CC(N)=O)(c3ccccc3)C2)CC[N@@H+]1C ZINC001105425622 1190856409 /nfs/dbraw/zinc/85/64/09/1190856409.db2.gz RUJXEGPNEWAFAT-OYRIPWCXSA-N 2 0 358.486 0.618 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986428071 1190988192 /nfs/dbraw/zinc/98/81/92/1190988192.db2.gz NLPNJTVWVLOWIA-SJORKVTESA-N 2 0 360.502 0.485 20 0 FCADRP CCOCCN1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001217932489 1224132692 /nfs/dbraw/zinc/13/26/92/1224132692.db2.gz KBQWGIKZSQOSSL-DLBZAZTESA-N 2 0 365.478 0.006 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@H]2C1 ZINC001218195170 1224146753 /nfs/dbraw/zinc/14/67/53/1224146753.db2.gz FYMLRDDPAFWXRC-IXDOHACOSA-N 2 0 362.474 0.784 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001218281401 1224151173 /nfs/dbraw/zinc/15/11/73/1224151173.db2.gz BJRSQEBHYCPBLP-ZWKOTPCHSA-N 2 0 371.441 0.829 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550652283 1193725054 /nfs/dbraw/zinc/72/50/54/1193725054.db2.gz BOBCWNCUNIJWPU-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])on1 ZINC001218501692 1224163626 /nfs/dbraw/zinc/16/36/26/1224163626.db2.gz SHHFUDARSODMNY-RCBQFDQVSA-N 2 0 365.478 0.478 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584289 1193740617 /nfs/dbraw/zinc/74/06/17/1193740617.db2.gz DMLZAFQTTHHPGA-SJORKVTESA-N 2 0 366.506 0.015 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550943717 1193821444 /nfs/dbraw/zinc/82/14/44/1193821444.db2.gz ORJVHRPMGRLLBI-UHFFFAOYSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088708354 1193827960 /nfs/dbraw/zinc/82/79/60/1193827960.db2.gz QFZCTIPTQFUZCI-DOMZBBRYSA-N 2 0 370.413 0.079 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCN1CCNC1=O ZINC001088710331 1193833737 /nfs/dbraw/zinc/83/37/37/1193833737.db2.gz IRDJGAVPVSWKIA-CJNGLKHVSA-N 2 0 356.430 0.552 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCC1 ZINC000551122009 1193834995 /nfs/dbraw/zinc/83/49/95/1193834995.db2.gz MGJXDUJFJYCHMO-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105641471 1193844823 /nfs/dbraw/zinc/84/48/23/1193844823.db2.gz BNWBHNABLJAJDX-ZLHSVIROSA-N 2 0 368.522 0.168 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCc1cn2c(n1)CCCC2)C(C)(C)C[NH+](C)C ZINC000551334794 1193850584 /nfs/dbraw/zinc/85/05/84/1193850584.db2.gz ZVSSBFSWJGXXEL-AWEZNQCLSA-N 2 0 363.506 0.971 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2O)n1 ZINC001083470451 1193867357 /nfs/dbraw/zinc/86/73/57/1193867357.db2.gz SSPBZTHVQMPEDJ-MSOLQXFVSA-N 2 0 363.506 0.800 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3ccc4c(n3)OCCO4)C2)C1=O ZINC001276790108 1224177688 /nfs/dbraw/zinc/17/76/88/1224177688.db2.gz WDPLBMYPZFRDCI-IBGZPJMESA-N 2 0 360.458 0.839 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001075965819 1193885032 /nfs/dbraw/zinc/88/50/32/1193885032.db2.gz FDOMDTMRAGMCLB-SOLBZPMBSA-N 2 0 368.485 0.954 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CCn1cccn1 ZINC001088757359 1193892485 /nfs/dbraw/zinc/89/24/85/1193892485.db2.gz VAJAAKQIKVAGQO-AFRNSKEISA-N 2 0 359.474 0.325 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)CC[N@@H+]1C ZINC001083473184 1193902773 /nfs/dbraw/zinc/90/27/73/1193902773.db2.gz MLYXCFKQSGBTHY-AXUOBQJMSA-N 2 0 373.497 0.666 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cc(CO)ccc3F)C[C@@H]2O)CC[N@@H+]1C ZINC001083473187 1193902978 /nfs/dbraw/zinc/90/29/78/1193902978.db2.gz MRKXGTIUWLANCV-QVDUIBETSA-N 2 0 365.449 0.320 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccnc(OC)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474532 1193908427 /nfs/dbraw/zinc/90/84/27/1193908427.db2.gz MUQMSDJKDBRDFB-HZMVEIRTSA-N 2 0 362.474 0.482 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000552175784 1193910010 /nfs/dbraw/zinc/91/00/10/1193910010.db2.gz LELVLRDSZBLEFE-GJZGRUSLSA-N 2 0 364.490 0.051 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC1=O ZINC000552351175 1193924614 /nfs/dbraw/zinc/92/46/14/1193924614.db2.gz RYSZLMWPJYVROZ-MRXNPFEDSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc4c(n3)OCCO4)C2)C1=O ZINC001276790110 1224177973 /nfs/dbraw/zinc/17/79/73/1224177973.db2.gz WDPLBMYPZFRDCI-LJQANCHMSA-N 2 0 360.458 0.839 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105667314 1193930303 /nfs/dbraw/zinc/93/03/03/1193930303.db2.gz QIWWYKBDJBOOEE-RGCFKVTRSA-N 2 0 368.522 0.040 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000552747364 1193949645 /nfs/dbraw/zinc/94/96/45/1193949645.db2.gz FQMYODWFIVJIGK-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218597475 1224179939 /nfs/dbraw/zinc/17/99/39/1224179939.db2.gz WIQRVJSFURHHCY-NSHDSACASA-N 2 0 364.402 0.401 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735635 1194017553 /nfs/dbraw/zinc/01/75/53/1194017553.db2.gz WPIJLSGHECXZTF-DLBZAZTESA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083524119 1194155497 /nfs/dbraw/zinc/15/54/97/1194155497.db2.gz ILSRFASXLRWLCW-KSZLIROESA-N 2 0 363.506 0.387 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1C[NH2+]CC12CCOCC2)C1CC[NH2+]CC1 ZINC001218695007 1224198323 /nfs/dbraw/zinc/19/83/23/1224198323.db2.gz IMIKAEQMKPRTMT-HNNXBMFYSA-N 2 0 359.474 0.765 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]Cc4ccnn4C3)cn2)CC1 ZINC001218725600 1224205517 /nfs/dbraw/zinc/20/55/17/1224205517.db2.gz YOUNZONKSPYDBY-ZDUSSCGKSA-N 2 0 355.446 0.564 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723878 1224205629 /nfs/dbraw/zinc/20/56/29/1224205629.db2.gz GZVGLUXEAUGYRZ-SJCJKPOMSA-N 2 0 362.478 0.437 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723879 1224206530 /nfs/dbraw/zinc/20/65/30/1224206530.db2.gz HBWMJCMRCPYAAQ-INIZCTEOSA-N 2 0 362.478 0.581 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076107471 1194308913 /nfs/dbraw/zinc/30/89/13/1194308913.db2.gz XZGDWVKGFRKTNG-DLBZAZTESA-N 2 0 359.474 0.818 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107337 1194308986 /nfs/dbraw/zinc/30/89/86/1194308986.db2.gz QSLUVACZLTVUSJ-IXDOHACOSA-N 2 0 359.474 0.722 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001076177029 1194339652 /nfs/dbraw/zinc/33/96/52/1194339652.db2.gz GTOIGACPLJVKSR-XLAORIBOSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3ncccn3)C2=O)C1 ZINC001276794849 1224214487 /nfs/dbraw/zinc/21/44/87/1224214487.db2.gz BYGPUPAVKGTCGP-DNVCBOLYSA-N 2 0 361.490 0.650 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076457520 1194497366 /nfs/dbraw/zinc/49/73/66/1194497366.db2.gz GYYPLFBVIAWSBM-BPQIPLTHSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)(C)c1nc2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cn2n1 ZINC001218794727 1224221974 /nfs/dbraw/zinc/22/19/74/1224221974.db2.gz RQICAIWWAORTEQ-AWEZNQCLSA-N 2 0 359.478 0.716 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218803510 1224226362 /nfs/dbraw/zinc/22/63/62/1224226362.db2.gz LDVOBZGLVZWSPH-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001218879340 1224244300 /nfs/dbraw/zinc/24/43/00/1224244300.db2.gz ALLSHPSZENCDMU-MRXNPFEDSA-N 2 0 372.469 0.687 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001218879967 1224246191 /nfs/dbraw/zinc/24/61/91/1224246191.db2.gz NXBQETWEGZEDTF-YLJYHZDGSA-N 2 0 372.469 0.829 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218919606 1224259027 /nfs/dbraw/zinc/25/90/27/1224259027.db2.gz VIHCRNCBZMKGEV-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218929161 1224261650 /nfs/dbraw/zinc/26/16/50/1224261650.db2.gz AIGSCYQIRTZYFX-SNVBAGLBSA-N 2 0 361.377 0.247 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)n1 ZINC001077014378 1195148155 /nfs/dbraw/zinc/14/81/55/1195148155.db2.gz SWJCPLIJIVSULF-HUUCEWRRSA-N 2 0 371.432 0.265 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937563 1224266237 /nfs/dbraw/zinc/26/62/37/1224266237.db2.gz CJESFGLKIKUPCX-IBGZPJMESA-N 2 0 366.465 1.000 20 0 FCADRP CCc1nocc1CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971203 1224275156 /nfs/dbraw/zinc/27/51/56/1224275156.db2.gz UAJIZYPUYMGNBT-DLBZAZTESA-N 2 0 366.462 0.227 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308736 1195410366 /nfs/dbraw/zinc/41/03/66/1195410366.db2.gz JOICOPUFZYXKSI-ZTFGCOKTSA-N 2 0 358.442 0.926 20 0 FCADRP COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218987847 1224278810 /nfs/dbraw/zinc/27/88/10/1224278810.db2.gz NROAUMVJRWZVOZ-GFCCVEGCSA-N 2 0 360.418 0.038 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996796 1224282170 /nfs/dbraw/zinc/28/21/70/1224282170.db2.gz AMWNZETZKSIBGB-HOCLYGCPSA-N 2 0 362.474 0.961 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001077396193 1195495122 /nfs/dbraw/zinc/49/51/22/1195495122.db2.gz SOZWPISEVOCLJN-BLYBZDDLSA-N 2 0 358.442 0.924 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418322 1195517252 /nfs/dbraw/zinc/51/72/52/1195517252.db2.gz NMGIWSZROYZVOA-PINPWASSSA-N 2 0 371.428 0.056 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000906647018 1195641748 /nfs/dbraw/zinc/64/17/48/1195641748.db2.gz YYXHNZSJXLCRAA-UHFFFAOYSA-N 2 0 360.458 0.655 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000906645913 1195641827 /nfs/dbraw/zinc/64/18/27/1195641827.db2.gz NBCNDNMAUVBGLW-INIZCTEOSA-N 2 0 360.458 0.797 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906666470 1195643678 /nfs/dbraw/zinc/64/36/78/1195643678.db2.gz QITYLFNVOCZPRK-CQSZACIVSA-N 2 0 360.458 0.796 20 0 FCADRP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000907350516 1195690250 /nfs/dbraw/zinc/69/02/50/1195690250.db2.gz FNCNSLRVAKMTKR-SOUVJXGZSA-N 2 0 368.522 0.325 20 0 FCADRP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907350517 1195690659 /nfs/dbraw/zinc/69/06/59/1195690659.db2.gz FNCNSLRVAKMTKR-ZNMIVQPWSA-N 2 0 368.522 0.325 20 0 FCADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001691634670 1195726059 /nfs/dbraw/zinc/72/60/59/1195726059.db2.gz YJWIGIUOQSILHN-DLBZAZTESA-N 2 0 365.522 0.618 20 0 FCADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1)OC ZINC001083633023 1195805903 /nfs/dbraw/zinc/80/59/03/1195805903.db2.gz BYMMALRMWGDHQT-UAGQMJEPSA-N 2 0 359.430 0.467 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000910829366 1195850526 /nfs/dbraw/zinc/85/05/26/1195850526.db2.gz CBCPOZJXFVHXCF-MRXNPFEDSA-N 2 0 373.501 0.919 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029228 1195880147 /nfs/dbraw/zinc/88/01/47/1195880147.db2.gz LSXOLJJJNYPLTC-MJSCVDMRSA-N 2 0 358.486 0.964 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258022 1195927857 /nfs/dbraw/zinc/92/78/57/1195927857.db2.gz LRAAYDDRNLOWOZ-BRWVUGGUSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911350559 1195939586 /nfs/dbraw/zinc/93/95/86/1195939586.db2.gz HSPQRUADRXYANO-SZMVWBNQSA-N 2 0 358.486 0.820 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001219052399 1224321249 /nfs/dbraw/zinc/32/12/49/1224321249.db2.gz YUXJJVLBQDPYNK-IXDOHACOSA-N 2 0 364.490 0.005 20 0 FCADRP NC(=O)c1cc(Oc2cccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)c2)ccn1 ZINC001219072297 1224336523 /nfs/dbraw/zinc/33/65/23/1224336523.db2.gz NEZZQUIDQCCVOK-HNNXBMFYSA-N 2 0 367.409 0.720 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385794 1196343898 /nfs/dbraw/zinc/34/38/98/1196343898.db2.gz ODJNWUWTCLRILY-LJQANCHMSA-N 2 0 360.502 0.363 20 0 FCADRP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219090195 1224349914 /nfs/dbraw/zinc/34/99/14/1224349914.db2.gz LCZKJIYLYIEUER-NSHDSACASA-N 2 0 358.377 0.325 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)c21 ZINC000592465020 1196563653 /nfs/dbraw/zinc/56/36/53/1196563653.db2.gz MIBMLOROAYLIRV-CABCVRRESA-N 2 0 374.489 0.003 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3ccc(N4CC[NH2+]CC4)cn3)c21 ZINC000592467076 1196563730 /nfs/dbraw/zinc/56/37/30/1196563730.db2.gz IHFIZCIRNMIQDF-CYBMUJFWSA-N 2 0 355.446 0.776 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000592964268 1196597710 /nfs/dbraw/zinc/59/77/10/1196597710.db2.gz QJZYMMITMOAWLO-GOSISDBHSA-N 2 0 374.485 0.562 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c21 ZINC000592957772 1196600457 /nfs/dbraw/zinc/60/04/57/1196600457.db2.gz ROKMDMBQTLYKEB-INIZCTEOSA-N 2 0 361.490 0.904 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c21 ZINC000592957773 1196600842 /nfs/dbraw/zinc/60/08/42/1196600842.db2.gz ROKMDMBQTLYKEB-MRXNPFEDSA-N 2 0 361.490 0.904 20 0 FCADRP COC(=O)c1ccc(N)c(NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001219147766 1224367435 /nfs/dbraw/zinc/36/74/35/1224367435.db2.gz YYSOPXBNZRSNBU-HNNXBMFYSA-N 2 0 362.430 0.447 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1ccnc1C(N)=[NH2+] ZINC001168409429 1196761216 /nfs/dbraw/zinc/76/12/16/1196761216.db2.gz BZPWSWAHEQBVJD-GFCCVEGCSA-N 2 0 374.445 0.657 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001219193691 1224382595 /nfs/dbraw/zinc/38/25/95/1224382595.db2.gz JCIMTSMRTDMYHC-HIFRSBDPSA-N 2 0 371.407 0.738 20 0 FCADRP Cc1nccn1CC(=O)NC1CC(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000992418948 1197098217 /nfs/dbraw/zinc/09/82/17/1197098217.db2.gz ZPMGUBNZAYWFHM-QDIHITRGSA-N 2 0 370.457 0.740 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236489 1224395999 /nfs/dbraw/zinc/39/59/99/1224395999.db2.gz VGASJMFBWHAIIG-MAUKXSAKSA-N 3 0 360.506 0.303 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142946 1197291726 /nfs/dbraw/zinc/29/17/26/1197291726.db2.gz FOYQXEWEGWWDPB-NXHRZFHOSA-N 2 0 364.534 0.785 20 0 FCADRP [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001219290600 1224416171 /nfs/dbraw/zinc/41/61/71/1224416171.db2.gz IJTNHZHDGYJRAU-BFUOFWGJSA-N 3 0 361.465 0.891 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290577 1224416462 /nfs/dbraw/zinc/41/64/62/1224416462.db2.gz HQPNLUSJYRBSPM-HNNXBMFYSA-N 2 0 363.437 0.641 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)CC1 ZINC000992948827 1197627832 /nfs/dbraw/zinc/62/78/32/1197627832.db2.gz RCBVAGYGPVGIGW-FXAWDEMLSA-N 2 0 362.518 0.731 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085217882 1197691892 /nfs/dbraw/zinc/69/18/92/1197691892.db2.gz WCINTYWHSDTJLV-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033692 1197702490 /nfs/dbraw/zinc/70/24/90/1197702490.db2.gz SCLUNKYGLUOWSM-FCEWJHQRSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085245021 1197738416 /nfs/dbraw/zinc/73/84/16/1197738416.db2.gz IFBKEQHTUAUHFP-BRWVUGGUSA-N 2 0 366.506 0.347 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106244508 1197776239 /nfs/dbraw/zinc/77/62/39/1197776239.db2.gz NPGYPMQOBVGRFG-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249562 1197781623 /nfs/dbraw/zinc/78/16/23/1197781623.db2.gz KVUIRQKMTCQTGZ-QGPMSJSTSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661219 1197799750 /nfs/dbraw/zinc/79/97/50/1197799750.db2.gz JYLJQFPZGFUHTD-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661220 1197800092 /nfs/dbraw/zinc/80/00/92/1197800092.db2.gz JYLJQFPZGFUHTD-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1 ZINC000993079781 1197803165 /nfs/dbraw/zinc/80/31/65/1197803165.db2.gz BYBDPHVZAWRKSR-FUHIMQAGSA-N 2 0 362.518 0.587 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)[NH+](C)C ZINC001106281758 1197824845 /nfs/dbraw/zinc/82/48/45/1197824845.db2.gz AZMGWFRWFNVJAI-CPUCHLNUSA-N 2 0 365.478 0.883 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCN(Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975045 /nfs/dbraw/zinc/97/50/45/1197975045.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 0 361.490 0.650 20 0 FCADRP CN1Cc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccc2N(C)C1=O ZINC001219396337 1224453429 /nfs/dbraw/zinc/45/34/29/1224453429.db2.gz UHSCWRZJFKKKEN-HNNXBMFYSA-N 2 0 360.462 0.377 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001106600174 1198029924 /nfs/dbraw/zinc/02/99/24/1198029924.db2.gz SXKCUZWTGBSQGD-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090852 1198156847 /nfs/dbraw/zinc/15/68/47/1198156847.db2.gz UPNVXZHRKINESW-OJKRMQCYSA-N 2 0 361.494 0.894 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CCNCC2(F)F)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453698 1224475676 /nfs/dbraw/zinc/47/56/76/1224475676.db2.gz NNGRWCULOQVGMW-LSDHHAIUSA-N 2 0 366.412 0.810 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@]13CC[NH2+]C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500834 1224488993 /nfs/dbraw/zinc/48/89/93/1224488993.db2.gz JEMDBCARRMKNTN-NXXSPTCGSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1CCC3(C[NH2+]C3)O1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501519 1224488882 /nfs/dbraw/zinc/48/88/82/1224488882.db2.gz VVLJYYATJIUKIU-KUHUBIRLSA-N 2 0 372.425 0.338 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13CC[C@@H]1C[NH2+]C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501727 1224489529 /nfs/dbraw/zinc/48/95/29/1224489529.db2.gz XZPIHKQVRVNXDF-RIPJAXHCSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@H](OC)CC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503851 1224490249 /nfs/dbraw/zinc/49/02/49/1224490249.db2.gz OBGKAXNYVDCOSN-KOXAJKMWSA-N 2 0 374.441 0.584 20 0 FCADRP COc1cc2c(cc1NC(=O)c1n[nH]c3c1C[NH2+]C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219509233 1224492298 /nfs/dbraw/zinc/49/22/98/1224492298.db2.gz NQAIJXNDCPOQRG-GOSISDBHSA-N 2 0 368.397 0.457 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398451 1199065718 /nfs/dbraw/zinc/06/57/18/1199065718.db2.gz RKFZKHMROFXNJT-ZJPYXAASSA-N 2 0 370.490 0.766 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129370441 1199129960 /nfs/dbraw/zinc/12/99/60/1199129960.db2.gz UTEPHAPSPPZOTE-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001219613096 1224529047 /nfs/dbraw/zinc/52/90/47/1224529047.db2.gz IYAQAPAZZUUWCQ-XJKCOSOUSA-N 2 0 368.359 0.510 20 0 FCADRP NC1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH+](Cc2ccccc2)CC1 ZINC001219620276 1224531263 /nfs/dbraw/zinc/53/12/63/1224531263.db2.gz YULGDYRIBGAEQU-QFBILLFUSA-N 2 0 364.465 0.159 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C[C@@H]3F)cc2)CC1 ZINC001219625933 1224534397 /nfs/dbraw/zinc/53/43/97/1224534397.db2.gz IYYZAKQTGMBUFX-PKOBYXMFSA-N 2 0 364.465 0.621 20 0 FCADRP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219669352 1224550751 /nfs/dbraw/zinc/55/07/51/1224550751.db2.gz VKQGVBPGYKADGL-LJQANCHMSA-N 3 0 356.514 0.866 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3[nH]2)C1 ZINC001219696513 1224563726 /nfs/dbraw/zinc/56/37/26/1224563726.db2.gz JSDFZIJEQYZVNV-QAPCUYQASA-N 2 0 371.485 0.473 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219703185 1224566274 /nfs/dbraw/zinc/56/62/74/1224566274.db2.gz DGOKZYCTWOWRPC-SFHVURJKSA-N 3 0 358.486 0.401 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001219714620 1224571539 /nfs/dbraw/zinc/57/15/39/1224571539.db2.gz QXOFMVLVAQNREX-RKVPGOIHSA-N 2 0 358.442 0.218 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CCC[C@H]([NH3+])C1 ZINC001219720633 1224573821 /nfs/dbraw/zinc/57/38/21/1224573821.db2.gz OCLUOGPFWWSBDJ-LBTBCDHLSA-N 2 0 357.458 0.474 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722694 1224576320 /nfs/dbraw/zinc/57/63/20/1224576320.db2.gz DPQKRPHJJFRZNA-QZTJIDSGSA-N 3 0 360.502 0.314 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNC(=O)N1 ZINC001219726137 1224578013 /nfs/dbraw/zinc/57/80/13/1224578013.db2.gz IHQGBEVFLWOEGE-SJORKVTESA-N 2 0 371.485 0.286 20 0 FCADRP C[NH2+][C@@H](CO)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727231 1224578990 /nfs/dbraw/zinc/57/89/90/1224578990.db2.gz ZMQHDFRNCHZOTP-MSOLQXFVSA-N 3 0 360.502 0.185 20 0 FCADRP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726411 1224579088 /nfs/dbraw/zinc/57/90/88/1224579088.db2.gz IRLSFHLKZQTZAT-ROUUACIJSA-N 3 0 360.502 0.578 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726492 1224579473 /nfs/dbraw/zinc/57/94/73/1224579473.db2.gz KCUAEBYHMZUNHC-IBGZPJMESA-N 4 0 373.545 0.543 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728706 1224580893 /nfs/dbraw/zinc/58/08/93/1224580893.db2.gz FIIKVIJMNIPWBO-QYZOEREBSA-N 3 0 371.529 0.294 20 0 FCADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749539 1224593708 /nfs/dbraw/zinc/59/37/08/1224593708.db2.gz OWPUCCSMPCBEIL-OAHLLOKOSA-N 2 0 358.446 0.322 20 0 FCADRP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764536 1224601377 /nfs/dbraw/zinc/60/13/77/1224601377.db2.gz HWCDTXOLDFLTMD-VNQPRFMTSA-N 2 0 370.419 0.985 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001109462795 1200302603 /nfs/dbraw/zinc/30/26/03/1200302603.db2.gz QPMGSKCJFBGYDP-NCOADZHNSA-N 2 0 363.506 0.696 20 0 FCADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772158 1224606717 /nfs/dbraw/zinc/60/67/17/1224606717.db2.gz XPYGDZAHPZHNHU-FXAWDEMLSA-N 2 0 360.477 0.916 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109719020 1200485028 /nfs/dbraw/zinc/48/50/28/1200485028.db2.gz RGPDZPYKUPDZQR-RANZSIQMSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219794369 1224615571 /nfs/dbraw/zinc/61/55/71/1224615571.db2.gz YCDJZZIBPSDIHI-OXJNMPFZSA-N 3 0 364.534 0.868 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794542 1224615940 /nfs/dbraw/zinc/61/59/40/1224615940.db2.gz DHTRCHQAFBZGTQ-KURKYZTESA-N 2 0 369.506 0.218 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847765 1200559877 /nfs/dbraw/zinc/55/98/77/1200559877.db2.gz GHXZKVRSWWPOJX-QZWWFDLISA-N 2 0 366.506 0.474 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847700 1200560527 /nfs/dbraw/zinc/56/05/27/1200560527.db2.gz CRXCFPCBNBWKSK-LTIDMASMSA-N 2 0 364.490 0.051 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)c1 ZINC001219800267 1224619106 /nfs/dbraw/zinc/61/91/06/1224619106.db2.gz JHTQORMWFMGXOP-MSOLQXFVSA-N 2 0 360.502 0.898 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109978731 1200661966 /nfs/dbraw/zinc/66/19/66/1200661966.db2.gz HDRIXHGVTBXPGX-NCOADZHNSA-N 2 0 366.506 0.202 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007168 1200698777 /nfs/dbraw/zinc/69/87/77/1200698777.db2.gz KZHUMEULMDAISV-SQNIBIBYSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219809189 1224627898 /nfs/dbraw/zinc/62/78/98/1224627898.db2.gz FQVHUYAZBZFCPU-ORAYPTAESA-N 2 0 367.409 0.046 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001112578393 1200816786 /nfs/dbraw/zinc/81/67/86/1200816786.db2.gz MQKRVPAPEYWWBS-ZWOKBUDYSA-N 2 0 362.518 0.683 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000786330040 1200834935 /nfs/dbraw/zinc/83/49/35/1200834935.db2.gz BCRWVKZLKLLAQR-IAGOWNOFSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000746676422 1200878190 /nfs/dbraw/zinc/87/81/90/1200878190.db2.gz VIMKUJIXRRZFHX-QGZVFWFLSA-N 2 0 369.506 0.785 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829830 1224641325 /nfs/dbraw/zinc/64/13/25/1224641325.db2.gz FZJDFDYSDAYHBE-OTWHNJEPSA-N 2 0 361.486 0.715 20 0 FCADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835154 1224645807 /nfs/dbraw/zinc/64/58/07/1224645807.db2.gz YHVAXOZMSIEDNZ-MDZRGWNJSA-N 2 0 362.474 0.109 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830502 1224641914 /nfs/dbraw/zinc/64/19/14/1224641914.db2.gz YEWMHADFGAWRKI-KURKYZTESA-N 2 0 363.506 0.481 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838349 1224647163 /nfs/dbraw/zinc/64/71/63/1224647163.db2.gz PHJQGXAURLBADX-HHXXYDBFSA-N 2 0 363.458 0.076 20 0 FCADRP Cn1cnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170395330 1201209152 /nfs/dbraw/zinc/20/91/52/1201209152.db2.gz MVCKZVVGRFZJAK-WAXYHTEFSA-N 2 0 369.510 0.694 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000793699224 1201257678 /nfs/dbraw/zinc/25/76/78/1201257678.db2.gz KRKVNOFUGAGZMG-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC001114303722 1201293974 /nfs/dbraw/zinc/29/39/74/1201293974.db2.gz CWMQLXNZUWGETD-DZVNLGKHSA-N 2 0 360.506 0.835 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454179 1201311758 /nfs/dbraw/zinc/31/17/58/1201311758.db2.gz ZSXUFLPGNSRMDW-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460027 1201326151 /nfs/dbraw/zinc/32/61/51/1201326151.db2.gz GPWOOJFAGIXORA-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910158 1201422531 /nfs/dbraw/zinc/42/25/31/1201422531.db2.gz GLGZJSZUQLRCTC-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910509 1201423361 /nfs/dbraw/zinc/42/33/61/1201423361.db2.gz WNFONWOSIYWIJU-ZACQAIPSSA-N 2 0 366.510 0.775 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899755 1201433199 /nfs/dbraw/zinc/43/31/99/1201433199.db2.gz KJKIQVGKSGJVHI-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129934101 1201436325 /nfs/dbraw/zinc/43/63/25/1201436325.db2.gz OUUUWFJPQNUSOD-XKQJLSEDSA-N 2 0 369.429 0.616 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919036 1201441003 /nfs/dbraw/zinc/44/10/03/1201441003.db2.gz OSVUCZMHUHKTRU-OAGGEKHMSA-N 2 0 366.510 0.511 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129923579 1201443034 /nfs/dbraw/zinc/44/30/34/1201443034.db2.gz KWVYGRLFCLFNSH-ZACQAIPSSA-N 2 0 364.494 0.122 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129970245 1201457416 /nfs/dbraw/zinc/45/74/16/1201457416.db2.gz FITWADUJYGJZGI-OAGGEKHMSA-N 2 0 364.494 0.529 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001129984944 1201463870 /nfs/dbraw/zinc/46/38/70/1201463870.db2.gz KJGSAJLCRXDLQF-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129992072 1201470305 /nfs/dbraw/zinc/47/03/05/1201470305.db2.gz KGMRSUNLSBWRIS-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992216 1201470381 /nfs/dbraw/zinc/47/03/81/1201470381.db2.gz SCYUCLCGBNWVCB-SJORKVTESA-N 2 0 357.462 0.475 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130027906 1201480391 /nfs/dbraw/zinc/48/03/91/1201480391.db2.gz BTGRCSDUUIFOFO-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054719 1201483758 /nfs/dbraw/zinc/48/37/58/1201483758.db2.gz LYAXTBPSHBZVTM-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130081403 1201492640 /nfs/dbraw/zinc/49/26/40/1201492640.db2.gz MPOQTFQYBWIBGU-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001130091551 1201498082 /nfs/dbraw/zinc/49/80/82/1201498082.db2.gz ZZQZEMBSHMHWCH-CVEARBPZSA-N 2 0 364.469 0.855 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130107143 1201501890 /nfs/dbraw/zinc/50/18/90/1201501890.db2.gz FWMAHGSKOZOULH-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130136980 1201514479 /nfs/dbraw/zinc/51/44/79/1201514479.db2.gz CHQQRGFGUVCYLR-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130136979 1201514766 /nfs/dbraw/zinc/51/47/66/1201514766.db2.gz CHQQRGFGUVCYLR-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP C[NH+](C)CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219920402 1224681607 /nfs/dbraw/zinc/68/16/07/1224681607.db2.gz DVZMDBMAJGLZKW-HOTGVXAUSA-N 2 0 370.538 0.968 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001130232195 1201557308 /nfs/dbraw/zinc/55/73/08/1201557308.db2.gz CFVWNTWWNYPOME-OFQRWUPVSA-N 2 0 366.510 0.879 20 0 FCADRP CC(C)[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)[NH+](C)C ZINC001130232458 1201557486 /nfs/dbraw/zinc/55/74/86/1201557486.db2.gz IDVOCCMQEFVEFP-KCQAQPDRSA-N 2 0 370.473 0.439 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001130237868 1201560616 /nfs/dbraw/zinc/56/06/16/1201560616.db2.gz HITSRUSCWISRCH-ILXRZTDVSA-N 2 0 364.494 0.776 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)CCC1 ZINC001130290527 1201578342 /nfs/dbraw/zinc/57/83/42/1201578342.db2.gz BJVHEJWAZUFTFI-WBVHZDCISA-N 2 0 368.497 0.916 20 0 FCADRP COC[C@H](C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298818 1201579960 /nfs/dbraw/zinc/57/99/60/1201579960.db2.gz HZZLKRXFMKBDEL-GMBSWORKSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)CC1 ZINC001130298956 1201580156 /nfs/dbraw/zinc/58/01/56/1201580156.db2.gz OPLNVSCDAONLKX-WBVHZDCISA-N 2 0 368.497 0.773 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001130307709 1201582259 /nfs/dbraw/zinc/58/22/59/1201582259.db2.gz ZRTJTYHUNBBMHO-APWZRJJASA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987347 1224717094 /nfs/dbraw/zinc/71/70/94/1224717094.db2.gz PCGUYRYBJMXJRZ-XKQJLSEDSA-N 2 0 359.430 0.203 20 0 FCADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001220020647 1224729755 /nfs/dbraw/zinc/72/97/55/1224729755.db2.gz QGHYHCPUYIDJIV-AWEZNQCLSA-N 2 0 369.381 0.234 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061608 1224741016 /nfs/dbraw/zinc/74/10/16/1224741016.db2.gz VDAFWBFYMJDRFJ-IPELMVKDSA-N 2 0 363.502 0.727 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659153 1202749912 /nfs/dbraw/zinc/74/99/12/1202749912.db2.gz HSRCMDOYVLAWFT-QILLFSRXSA-N 2 0 363.506 0.681 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1)OC ZINC001130728541 1202764034 /nfs/dbraw/zinc/76/40/34/1202764034.db2.gz GEQHZWURCZTNNP-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130719296 1202765555 /nfs/dbraw/zinc/76/55/55/1202765555.db2.gz IBMZGLYFSBDGMK-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130733926 1202767986 /nfs/dbraw/zinc/76/79/86/1202767986.db2.gz AJCMYXFPJTUONW-CGTJXYLNSA-N 2 0 363.506 0.561 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130736784 1202769480 /nfs/dbraw/zinc/76/94/80/1202769480.db2.gz OCYUNYSAJMCDFI-XYJFISCASA-N 2 0 363.506 0.681 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010472 1202844172 /nfs/dbraw/zinc/84/41/72/1202844172.db2.gz MSJIQNGBWSGOCV-BZUAXINKSA-N 2 0 363.506 0.823 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010470 1202844191 /nfs/dbraw/zinc/84/41/91/1202844191.db2.gz MSJIQNGBWSGOCV-ARFHVFGLSA-N 2 0 363.506 0.823 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062113 1202854285 /nfs/dbraw/zinc/85/42/85/1202854285.db2.gz WROYWLCAVWAYML-HZPDHXFCSA-N 2 0 360.462 0.752 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC001131068276 1202855879 /nfs/dbraw/zinc/85/58/79/1202855879.db2.gz WZLWAAMCOCCIRS-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)[NH+](CC)CC ZINC001131073545 1202859289 /nfs/dbraw/zinc/85/92/89/1202859289.db2.gz GUMKNQDSMAHSTL-BRWVUGGUSA-N 2 0 365.522 0.807 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316139 1202885432 /nfs/dbraw/zinc/88/54/32/1202885432.db2.gz CLPFJBPLKZIHRL-XHSDSOJGSA-N 2 0 368.478 0.081 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131464477 1202900145 /nfs/dbraw/zinc/90/01/45/1202900145.db2.gz SKPXDHVSYKMOKV-RYRKJORJSA-N 2 0 366.506 0.155 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001131517416 1202907727 /nfs/dbraw/zinc/90/77/27/1202907727.db2.gz PKNINXFGIDOUHI-NJAFHUGGSA-N 2 0 366.506 0.058 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1)C(N)=O ZINC001131582830 1202918162 /nfs/dbraw/zinc/91/81/62/1202918162.db2.gz BPOILOYJSCTAMS-NUJGCVRESA-N 2 0 368.522 0.578 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131604980 1202918747 /nfs/dbraw/zinc/91/87/47/1202918747.db2.gz QIUDEXQTVITPLW-MJGOQNOKSA-N 2 0 369.506 0.077 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131597211 1202919683 /nfs/dbraw/zinc/91/96/83/1202919683.db2.gz QSGKMTIRGNBYPN-LESCRADOSA-N 2 0 368.522 0.448 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962808 1202938375 /nfs/dbraw/zinc/93/83/75/1202938375.db2.gz KQXPZZDQTRPOPB-VQIMIIECSA-N 2 0 370.538 0.974 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])CN1C(=O)OC(C)(C)C ZINC001170622328 1202956108 /nfs/dbraw/zinc/95/61/08/1202956108.db2.gz QNPIAIKKTZDXAU-GJZGRUSLSA-N 2 0 372.510 0.798 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086699048 1202974279 /nfs/dbraw/zinc/97/42/79/1202974279.db2.gz QOGLDSAVZNYXJY-RRFJBIMHSA-N 2 0 364.494 0.197 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001086746412 1203070195 /nfs/dbraw/zinc/07/01/95/1203070195.db2.gz WLFMPEPUSVERNI-GOEBONIOSA-N 2 0 370.457 0.848 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001086785227 1203092568 /nfs/dbraw/zinc/09/25/68/1203092568.db2.gz OWDLYJRJWLIMFE-KSZLIROESA-N 2 0 363.506 0.867 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CC1 ZINC001086793767 1203095138 /nfs/dbraw/zinc/09/51/38/1203095138.db2.gz LJPMGYYCHDLSPU-USXIJHARSA-N 2 0 360.506 0.982 20 0 FCADRP C[C@@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861638 1203100293 /nfs/dbraw/zinc/10/02/93/1203100293.db2.gz FLDSIDWIPRHZLQ-RRFJBIMHSA-N 2 0 367.494 0.143 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817926203 1203126613 /nfs/dbraw/zinc/12/66/13/1203126613.db2.gz ADWPPJAUKUTMPI-GOSISDBHSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000817951766 1203128022 /nfs/dbraw/zinc/12/80/22/1203128022.db2.gz HCKIFHONQOIWPP-RHSMWYFYSA-N 2 0 362.474 0.281 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)cn1 ZINC001086825380 1203151182 /nfs/dbraw/zinc/15/11/82/1203151182.db2.gz HYUGQJLNRKPCSD-DZGCQCFKSA-N 2 0 361.450 0.516 20 0 FCADRP Cc1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(=O)n(-c2ccccc2)n1C ZINC001220110987 1224771802 /nfs/dbraw/zinc/77/18/02/1224771802.db2.gz GCTSMYUSZNGGLF-INIZCTEOSA-N 2 0 372.473 0.173 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000823131858 1203251465 /nfs/dbraw/zinc/25/14/65/1203251465.db2.gz ZAFFFYDTUQKCRH-JZXOWHBKSA-N 2 0 368.522 0.990 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001220120976 1224776400 /nfs/dbraw/zinc/77/64/00/1224776400.db2.gz XKUGJGRMWQLILG-CYBMUJFWSA-N 3 0 359.430 0.207 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)c1 ZINC001220120567 1224776819 /nfs/dbraw/zinc/77/68/19/1224776819.db2.gz HUZHFSIMWIVACJ-MELADBBJSA-N 2 0 359.430 0.348 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001220120977 1224777190 /nfs/dbraw/zinc/77/71/90/1224777190.db2.gz XKUGJGRMWQLILG-ZDUSSCGKSA-N 3 0 359.430 0.207 20 0 FCADRP C[NH+]1CCC(CC(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC1 ZINC001143351689 1203317967 /nfs/dbraw/zinc/31/79/67/1203317967.db2.gz UBERJQKICWYPCD-UHFFFAOYSA-N 2 0 361.490 0.675 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090881037 1203329391 /nfs/dbraw/zinc/32/93/91/1203329391.db2.gz WEMOHYWXWUGOPC-ZYSHUDEJSA-N 2 0 361.486 0.913 20 0 FCADRP O=C(NCCCCCCN1C(=O)C=CC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220127520 1224780276 /nfs/dbraw/zinc/78/02/76/1224780276.db2.gz YBHQSFVWGNKGGP-HNNXBMFYSA-N 2 0 362.474 0.462 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844169618 1203337574 /nfs/dbraw/zinc/33/75/74/1203337574.db2.gz ARCUHXSBXWFGOW-QGZVFWFLSA-N 2 0 361.490 0.721 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000844192535 1203338789 /nfs/dbraw/zinc/33/87/89/1203338789.db2.gz WUWBTVOYGOKOQW-RBUKOAKNSA-N 2 0 360.502 0.860 20 0 FCADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220158662 1224791173 /nfs/dbraw/zinc/79/11/73/1224791173.db2.gz CXOISKGVZILOJU-RKVPGOIHSA-N 2 0 358.490 0.568 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC001220149993 1224789993 /nfs/dbraw/zinc/78/99/93/1224789993.db2.gz MINJWIAASZBLHZ-JZXOWHBKSA-N 2 0 357.458 0.781 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)c2ccco2)CC1 ZINC001220312143 1224826222 /nfs/dbraw/zinc/82/62/22/1224826222.db2.gz YGDJCWHWRMPGBK-GOSISDBHSA-N 2 0 372.473 0.750 20 0 FCADRP [NH3+][C@H](C(=O)NCc1ncn2c1C[NH2+]CCC2)C1CCC2(CC1)OCCO2 ZINC001220313178 1224826340 /nfs/dbraw/zinc/82/63/40/1224826340.db2.gz MADVUEAGZVKOFK-INIZCTEOSA-N 2 0 363.462 0.253 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220321455 1224827940 /nfs/dbraw/zinc/82/79/40/1224827940.db2.gz UHSQOPXOTUWTTL-HRQSHJORSA-N 2 0 370.497 0.740 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000845125758 1204473783 /nfs/dbraw/zinc/47/37/83/1204473783.db2.gz ZOKQEUJIONOVNC-OAHLLOKOSA-N 2 0 371.526 0.195 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)CC[NH+](C)CC1 ZINC001220345839 1224836541 /nfs/dbraw/zinc/83/65/41/1224836541.db2.gz QHDZLCWKEBEMEV-KRWDZBQOSA-N 2 0 359.470 0.872 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000846143274 1204595970 /nfs/dbraw/zinc/59/59/70/1204595970.db2.gz DDDAPIPZGSNEAQ-SFFUCWETSA-N 2 0 366.506 0.778 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cn1 ZINC000846318508 1204613829 /nfs/dbraw/zinc/61/38/29/1204613829.db2.gz CGHPMPDADTTZBX-DLBZAZTESA-N 2 0 370.457 0.337 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000846332681 1204615999 /nfs/dbraw/zinc/61/59/99/1204615999.db2.gz VBIZKZYTWVDGFD-QGZVFWFLSA-N 2 0 366.506 0.333 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000846512074 1204635530 /nfs/dbraw/zinc/63/55/30/1204635530.db2.gz WUXJTHUPDUUQJO-CABCVRRESA-N 2 0 370.494 0.109 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]C[C@H]1O ZINC001220356473 1224841625 /nfs/dbraw/zinc/84/16/25/1224841625.db2.gz AGRCXIVMUUPHPG-YYIAUSFCSA-N 2 0 361.442 0.142 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCC1=O ZINC001220358179 1224842236 /nfs/dbraw/zinc/84/22/36/1224842236.db2.gz PMLVHJNQZJFJQV-JFIYKMOQSA-N 2 0 373.453 0.740 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358018 1224842578 /nfs/dbraw/zinc/84/25/78/1224842578.db2.gz OGWKIQBPONOHOE-QAETUUGQSA-N 2 0 360.458 0.109 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@H]1O ZINC001220357335 1224842700 /nfs/dbraw/zinc/84/27/00/1224842700.db2.gz KJHBANJKHOPUMZ-VQHPVUNQSA-N 2 0 361.442 0.285 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001144935751 1204661450 /nfs/dbraw/zinc/66/14/50/1204661450.db2.gz JTJGTTPMMWULKH-OTWHNJEPSA-N 2 0 359.470 0.887 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846836927 1204669178 /nfs/dbraw/zinc/66/91/78/1204669178.db2.gz JECKQFZYUKCSPQ-IBGZPJMESA-N 2 0 370.538 0.928 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543184 1204707979 /nfs/dbraw/zinc/70/79/79/1204707979.db2.gz FBYNEOZZPHFKJO-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091678781 1204818137 /nfs/dbraw/zinc/81/81/37/1204818137.db2.gz OKRSOVNOZFIUMY-FCEWJHQRSA-N 2 0 363.506 0.874 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387689 1224853664 /nfs/dbraw/zinc/85/36/64/1224853664.db2.gz NWXLNMNXAQJOHE-KURKYZTESA-N 2 0 371.522 0.464 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742685 1204838933 /nfs/dbraw/zinc/83/89/33/1204838933.db2.gz FRXZRWOTAAIPPT-BEFAXECRSA-N 2 0 363.506 0.276 20 0 FCADRP Cn1ncc(CN2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091754191 1204844115 /nfs/dbraw/zinc/84/41/15/1204844115.db2.gz IFYWXCCZXXLXMS-AYBZRNKSSA-N 2 0 360.506 0.970 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001086971020 1204870684 /nfs/dbraw/zinc/87/06/84/1204870684.db2.gz SWUQYGLOIQIZME-RCCFBDPRSA-N 2 0 371.489 0.332 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086985941 1204880555 /nfs/dbraw/zinc/88/05/55/1204880555.db2.gz MIDINWJJNBKDRW-KSZLIROESA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087009752 1204897589 /nfs/dbraw/zinc/89/75/89/1204897589.db2.gz WMSPKSAWFLOQLI-ZWKOTPCHSA-N 2 0 371.489 0.334 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087034987 1204911161 /nfs/dbraw/zinc/91/11/61/1204911161.db2.gz GNXFJIBMNBVTPV-KZNAEPCWSA-N 2 0 363.506 0.776 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087065036 1204952962 /nfs/dbraw/zinc/95/29/62/1204952962.db2.gz HFTICYSPJFACBC-DJIMGWMZSA-N 2 0 371.441 0.290 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083546 1204970954 /nfs/dbraw/zinc/97/09/54/1204970954.db2.gz KEUHWQGCRVQQIZ-ARFHVFGLSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083497 1204970960 /nfs/dbraw/zinc/97/09/60/1204970960.db2.gz HVRLKKWXUXLCGL-ZMSDIMECSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083564 1204971486 /nfs/dbraw/zinc/97/14/86/1204971486.db2.gz KVHLMUUWBCNVLF-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083798 1204972090 /nfs/dbraw/zinc/97/20/90/1204972090.db2.gz SVNDMYKJAAEMAY-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083905 1204972732 /nfs/dbraw/zinc/97/27/32/1204972732.db2.gz XHFAMAGQSOGQCV-GVDBMIGSSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087093287 1204985241 /nfs/dbraw/zinc/98/52/41/1204985241.db2.gz BYHLNZLKMFJSES-IXDOHACOSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087079282 1204989353 /nfs/dbraw/zinc/98/93/53/1204989353.db2.gz HWUDFNVBIRNHAA-NVXWUHKLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087100974 1204996914 /nfs/dbraw/zinc/99/69/14/1204996914.db2.gz NJBPRUMPMAGQFD-LZLYRXPVSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087101131 1204997377 /nfs/dbraw/zinc/99/73/77/1204997377.db2.gz VALOZFNYIWOYRC-ZMSDIMECSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087096696 1205004414 /nfs/dbraw/zinc/00/44/14/1205004414.db2.gz XTCRKHCRGHVYFR-LZLYRXPVSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087097172 1205005453 /nfs/dbraw/zinc/00/54/53/1205005453.db2.gz ZUCKJVAPWCSAOJ-HZPDHXFCSA-N 2 0 359.474 0.526 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787576 1205012911 /nfs/dbraw/zinc/01/29/11/1205012911.db2.gz GAOBSSXPCHNLKJ-MDZRGWNJSA-N 2 0 363.506 0.276 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807676 1205020951 /nfs/dbraw/zinc/02/09/51/1205020951.db2.gz OUUSYBGPIJUIRQ-KUHUBIRLSA-N 2 0 355.442 0.783 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091777210 1205024490 /nfs/dbraw/zinc/02/44/90/1205024490.db2.gz SCERAAGXGZXUDR-GJYPPUQNSA-N 2 0 360.502 0.531 20 0 FCADRP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001091856621 1205051691 /nfs/dbraw/zinc/05/16/91/1205051691.db2.gz VPGHNQKNKXLBSR-OGWOLHLISA-N 2 0 353.426 0.617 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)c2cc3ccccc3[nH]2)C1 ZINC001220431470 1224870312 /nfs/dbraw/zinc/87/03/12/1224870312.db2.gz HNUGFLHGOIIWJG-GPMSIDNRSA-N 2 0 371.485 0.737 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200731 1205196567 /nfs/dbraw/zinc/19/65/67/1205196567.db2.gz NLRISUOETLZUSU-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273433 1205221269 /nfs/dbraw/zinc/22/12/69/1205221269.db2.gz NVZWHLKSBQPRPL-CLCXKQKWSA-N 2 0 359.474 0.717 20 0 FCADRP Cn1cc(-c2cc(CNC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccn2)cn1 ZINC001220454454 1224878352 /nfs/dbraw/zinc/87/83/52/1224878352.db2.gz VYGQJCKVUOPUAF-MRXNPFEDSA-N 2 0 354.458 0.973 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611311 1205319812 /nfs/dbraw/zinc/31/98/12/1205319812.db2.gz RAPISNJKRGNKDR-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481299 1224887625 /nfs/dbraw/zinc/88/76/25/1224887625.db2.gz CNPZGWFCYAUOSM-ZOMKSWQUSA-N 2 0 373.494 0.667 20 0 FCADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)c1ccccc1 ZINC001220502030 1224895162 /nfs/dbraw/zinc/89/51/62/1224895162.db2.gz XRHPKOLWWRHFQL-GJZGRUSLSA-N 2 0 356.430 0.130 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220517459 1224900523 /nfs/dbraw/zinc/90/05/23/1224900523.db2.gz MITOLGASRDDSNJ-LJQANCHMSA-N 2 0 373.501 0.776 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220528104 1224907746 /nfs/dbraw/zinc/90/77/46/1224907746.db2.gz ZBWXLZNQJGRUMB-ROUUACIJSA-N 2 0 355.486 0.838 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909328 1205939986 /nfs/dbraw/zinc/93/99/86/1205939986.db2.gz HYJFERVNWSELCZ-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910636 1205940778 /nfs/dbraw/zinc/94/07/78/1205940778.db2.gz HPWNNSMGXUQPFS-JFIYKMOQSA-N 2 0 363.506 0.713 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120738 1206027212 /nfs/dbraw/zinc/02/72/12/1206027212.db2.gz LOAFZTQJIBRVFF-OLMNPRSZSA-N 2 0 362.518 0.681 20 0 FCADRP COc1nccc(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093132836 1206032575 /nfs/dbraw/zinc/03/25/75/1206032575.db2.gz BIMFRIWUPUNCIE-HUUCEWRRSA-N 2 0 359.474 0.765 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193575 1206052670 /nfs/dbraw/zinc/05/26/70/1206052670.db2.gz KOXZFRHFPLRQRE-ZTFGCOKTSA-N 2 0 358.486 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093281610 1206071599 /nfs/dbraw/zinc/07/15/99/1206071599.db2.gz SJTPBKJOJYGONC-IIAWOOMASA-N 2 0 364.490 0.350 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093281608 1206071745 /nfs/dbraw/zinc/07/17/45/1206071745.db2.gz SJTPBKJOJYGONC-FMKPAKJESA-N 2 0 364.490 0.350 20 0 FCADRP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)C1=O ZINC001093288323 1206073339 /nfs/dbraw/zinc/07/33/39/1206073339.db2.gz KIZBFIPATHTNLX-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H]4CCOC4)nn3)C2)CC[N@@H+]1C ZINC001093322712 1206074948 /nfs/dbraw/zinc/07/49/48/1206074948.db2.gz QNZRHGMJTDERAP-CKEIUWERSA-N 2 0 362.478 0.128 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001093672744 1206099322 /nfs/dbraw/zinc/09/93/22/1206099322.db2.gz CBQGBKGVJMWQJK-FVQBIDKESA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001093673694 1206099659 /nfs/dbraw/zinc/09/96/59/1206099659.db2.gz UVYFDWCQCOJEPO-BMFZPTHFSA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001093673001 1206099677 /nfs/dbraw/zinc/09/96/77/1206099677.db2.gz HYYHFXYNTDYTKK-KFWWJZLASA-N 2 0 363.510 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001093673451 1206099858 /nfs/dbraw/zinc/09/98/58/1206099858.db2.gz QPUPOMZNHAJTAX-KFWWJZLASA-N 2 0 362.478 0.087 20 0 FCADRP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001093774788 1206114418 /nfs/dbraw/zinc/11/44/18/1206114418.db2.gz VTJWRLMYVOORPG-KYJSFNMBSA-N 2 0 360.506 0.824 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001093823965 1206123982 /nfs/dbraw/zinc/12/39/82/1206123982.db2.gz ASTYRQNQTQVTSE-FRFSOERESA-N 2 0 363.510 0.607 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1)[NH+](C)C ZINC001093858636 1206135903 /nfs/dbraw/zinc/13/59/03/1206135903.db2.gz FOLOLEGMLRTDOB-RBSFLKMASA-N 2 0 367.494 0.783 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1)[NH+](C)C ZINC001093858827 1206135962 /nfs/dbraw/zinc/13/59/62/1206135962.db2.gz JHRIOVSOVNIDJE-RBSFLKMASA-N 2 0 364.494 0.333 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093863922 1206136717 /nfs/dbraw/zinc/13/67/17/1206136717.db2.gz APKOYLGTKQBDRL-KFWWJZLASA-N 2 0 364.494 0.804 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001094041024 1206174323 /nfs/dbraw/zinc/17/43/23/1206174323.db2.gz UNAFDQFNBNBKAM-QLFBSQMISA-N 2 0 365.478 0.884 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088287 1206181657 /nfs/dbraw/zinc/18/16/57/1206181657.db2.gz MJIJCUUPTLGOLM-OWCLPIDISA-N 2 0 363.510 0.659 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001094136910 1206190757 /nfs/dbraw/zinc/19/07/57/1206190757.db2.gz CQQZHOVPAUCMHY-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094137616 1206191184 /nfs/dbraw/zinc/19/11/84/1206191184.db2.gz SOOQUFOXDCBENN-HUUCEWRRSA-N 2 0 364.494 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094219149 1206202933 /nfs/dbraw/zinc/20/29/33/1206202933.db2.gz FQNKFNYQTSFQEQ-DJIMGWMZSA-N 2 0 360.506 0.824 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCO)CC3)n1 ZINC001094417261 1206224193 /nfs/dbraw/zinc/22/41/93/1206224193.db2.gz POQDGOFLKSABEK-IEBWSBKVSA-N 2 0 363.506 0.802 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001094433112 1206225616 /nfs/dbraw/zinc/22/56/16/1206225616.db2.gz RBXMTGFFAAWVKA-NLWGTHIKSA-N 2 0 365.518 0.983 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCCC2=O)CC3)C1 ZINC001094577036 1206239805 /nfs/dbraw/zinc/23/98/05/1206239805.db2.gz AFIISFUDSDJRLG-SQGPQFPESA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCNC2=O)CC3)C1 ZINC001094578385 1206240424 /nfs/dbraw/zinc/24/04/24/1206240424.db2.gz URDVOLKCKSNFBY-GPMSIDNRSA-N 2 0 363.506 0.324 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CCC4)C3)C2)CC[N@@H+]1C ZINC001094740709 1206245683 /nfs/dbraw/zinc/24/56/83/1206245683.db2.gz SJPHDMTXBDABSN-BPQIPLTHSA-N 2 0 362.518 0.918 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783430 1206252213 /nfs/dbraw/zinc/25/22/13/1206252213.db2.gz QVLUIEHIJSGPAZ-QGZVFWFLSA-N 2 0 370.465 0.908 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173497059 1206275310 /nfs/dbraw/zinc/27/53/10/1206275310.db2.gz QYYBLPAZGUUAOX-IRXDYDNUSA-N 2 0 362.474 0.313 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749454 1206287154 /nfs/dbraw/zinc/28/71/54/1206287154.db2.gz CQERKFQXAKDMJE-BRSBDYLESA-N 2 0 364.494 0.826 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CCC2 ZINC001173763326 1206288586 /nfs/dbraw/zinc/28/85/86/1206288586.db2.gz QQDCZHXMIXONDO-CVEARBPZSA-N 2 0 372.477 0.681 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736274 1206364242 /nfs/dbraw/zinc/36/42/42/1206364242.db2.gz SIOKYLULNLKFAC-LUKYLMHMSA-N 2 0 368.522 0.448 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC2)CC1 ZINC001179014375 1206371015 /nfs/dbraw/zinc/37/10/15/1206371015.db2.gz FTHMRHBCFLDDEG-UHFFFAOYSA-N 3 0 366.510 0.170 20 0 FCADRP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C ZINC001179190961 1206377982 /nfs/dbraw/zinc/37/79/82/1206377982.db2.gz DSKJKVPBNDWFTI-MHORFTMASA-N 2 0 369.506 0.482 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)C1 ZINC001181973700 1206418888 /nfs/dbraw/zinc/41/88/88/1206418888.db2.gz SZSZBBDQYFXUDK-MRXNPFEDSA-N 2 0 361.490 0.674 20 0 FCADRP O=C(CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](C2CCCCC2)CC1 ZINC001182017908 1206419703 /nfs/dbraw/zinc/41/97/03/1206419703.db2.gz UTZFBHZWGYHNMO-GOSISDBHSA-N 2 0 362.518 0.921 20 0 FCADRP CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183453127 1206453659 /nfs/dbraw/zinc/45/36/59/1206453659.db2.gz BLIZDZLSZWOCDF-CQSZACIVSA-N 2 0 359.434 0.071 20 0 FCADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250734 1206476871 /nfs/dbraw/zinc/47/68/71/1206476871.db2.gz IZFAIGVVDBXQBQ-OAHLLOKOSA-N 2 0 363.510 0.096 20 0 FCADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250732 1206477051 /nfs/dbraw/zinc/47/70/51/1206477051.db2.gz IZFAIGVVDBXQBQ-HNNXBMFYSA-N 2 0 363.510 0.096 20 0 FCADRP CC(=O)N1CC(NC(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C1 ZINC001220599408 1224959293 /nfs/dbraw/zinc/95/92/93/1224959293.db2.gz WBISSKRQBBHCGY-WIYYLYMNSA-N 2 0 370.497 0.835 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)C1 ZINC001220651955 1224990117 /nfs/dbraw/zinc/99/01/17/1224990117.db2.gz STSFUKFXZRAVKF-QGZVFWFLSA-N 2 0 359.518 0.785 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958046 1207405276 /nfs/dbraw/zinc/40/52/76/1207405276.db2.gz GXSJFHVEBYFXNZ-YYIAUSFCSA-N 2 0 365.522 0.567 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)c1cnc2n1CC[NH2+]CC2 ZINC001220656230 1224994348 /nfs/dbraw/zinc/99/43/48/1224994348.db2.gz RCUMIKRVGWMMPR-UHFFFAOYSA-N 2 0 354.458 0.368 20 0 FCADRP CCN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321943 1207442878 /nfs/dbraw/zinc/44/28/78/1207442878.db2.gz BBNIXBWMQFJBLH-YYIAUSFCSA-N 2 0 366.506 0.107 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405854 1207454293 /nfs/dbraw/zinc/45/42/93/1207454293.db2.gz QTVNCGRZHUHZGI-CGTJXYLNSA-N 2 0 371.485 0.671 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1)C1CC1 ZINC001189092810 1207505884 /nfs/dbraw/zinc/50/58/84/1207505884.db2.gz GHGWOGZUZHNQLX-YQQAZPJKSA-N 2 0 371.485 0.889 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189127328 1207509473 /nfs/dbraw/zinc/50/94/73/1207509473.db2.gz UKWNTENGGLAKGV-FRQCXROJSA-N 2 0 371.497 0.741 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001189786587 1207600129 /nfs/dbraw/zinc/60/01/29/1207600129.db2.gz FVYPZRZRRHNYCU-YQQAZPJKSA-N 2 0 361.490 0.752 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001189820144 1207606691 /nfs/dbraw/zinc/60/66/91/1207606691.db2.gz RVAHIPITURFNTC-OKZBNKHCSA-N 2 0 369.506 0.293 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801391 1207610179 /nfs/dbraw/zinc/61/01/79/1207610179.db2.gz DVCWUEJXQDUMPM-IXDOHACOSA-N 2 0 362.518 0.870 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189913712 1207619884 /nfs/dbraw/zinc/61/98/84/1207619884.db2.gz XGVNKZRWLRBHSJ-RCCFBDPRSA-N 2 0 363.506 0.509 20 0 FCADRP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O ZINC001193095035 1207859851 /nfs/dbraw/zinc/85/98/51/1207859851.db2.gz FFXDQMJKLDBVPT-NUEKZKHPSA-N 2 0 360.462 0.492 20 0 FCADRP CC[N@H+](C)CC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001273659363 1207876153 /nfs/dbraw/zinc/87/61/53/1207876153.db2.gz BUZONQVTHNUHOQ-RDTXWAMCSA-N 2 0 362.478 0.183 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737641 1207886601 /nfs/dbraw/zinc/88/66/01/1207886601.db2.gz DHTRCHQAFBZGTQ-KZNAEPCWSA-N 2 0 369.506 0.218 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791734 1207889529 /nfs/dbraw/zinc/88/95/29/1207889529.db2.gz QCUKHNRPQFAWBW-GUDVDZBRSA-N 2 0 361.486 0.739 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001194102362 1207919468 /nfs/dbraw/zinc/91/94/68/1207919468.db2.gz IQZFSJPFGUTWNH-QZTJIDSGSA-N 2 0 361.486 0.706 20 0 FCADRP CN(C)C(=O)c1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195871275 1208045294 /nfs/dbraw/zinc/04/52/94/1208045294.db2.gz PNHVHFPWJWGIQZ-IAGOWNOFSA-N 2 0 362.474 0.001 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(CC(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001196267966 1208069793 /nfs/dbraw/zinc/06/97/93/1208069793.db2.gz MJMGEPCJYZQCBP-IXDOHACOSA-N 2 0 370.538 0.381 20 0 FCADRP Cc1ncoc1CN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307633 1208070849 /nfs/dbraw/zinc/07/08/49/1208070849.db2.gz QYPKNFVRXVDOGT-FVQBIDKESA-N 2 0 366.462 0.145 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308412 1208071496 /nfs/dbraw/zinc/07/14/96/1208071496.db2.gz ZCHUVMTVNWZRJY-KBAYOESNSA-N 2 0 369.506 0.218 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000722 1208127806 /nfs/dbraw/zinc/12/78/06/1208127806.db2.gz ITPFRQNNZKRESZ-DJIMGWMZSA-N 2 0 368.522 0.327 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001197319463 1208152793 /nfs/dbraw/zinc/15/27/93/1208152793.db2.gz IMPFRURECFWDON-KURKYZTESA-N 2 0 369.506 0.074 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001197775876 1208195987 /nfs/dbraw/zinc/19/59/87/1208195987.db2.gz PCEVSGNYJZMSDV-BHIYHBOVSA-N 2 0 361.486 0.959 20 0 FCADRP O=C(N[C@@H]1CN(CCOCc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820232 1208201179 /nfs/dbraw/zinc/20/11/79/1208201179.db2.gz YQQOAJHWJWLXIC-QZTJIDSGSA-N 2 0 359.470 0.460 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001197824981 1208201997 /nfs/dbraw/zinc/20/19/97/1208201997.db2.gz AGVNHFPZIKSNIJ-QZTJIDSGSA-N 2 0 365.474 0.195 20 0 FCADRP COCCOc1ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC001199254454 1208331502 /nfs/dbraw/zinc/33/15/02/1208331502.db2.gz ZTCCINBOEYSOBO-UHFFFAOYSA-N 2 0 367.494 0.847 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC1CCC(O)CC1 ZINC001220758942 1225058690 /nfs/dbraw/zinc/05/86/90/1225058690.db2.gz NFSMFLWTYXPESV-GQGLESIBSA-N 2 0 368.522 0.491 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001273855888 1208434500 /nfs/dbraw/zinc/43/45/00/1208434500.db2.gz YDVLHZASFPFETH-IBGZPJMESA-N 2 0 367.538 0.073 20 0 FCADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001220771643 1225065108 /nfs/dbraw/zinc/06/51/08/1225065108.db2.gz BHFUSZLHSXYZQK-GJZGRUSLSA-N 2 0 370.413 0.067 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)c1cccnc1N1CC[NH2+]CC1 ZINC001220793819 1225078126 /nfs/dbraw/zinc/07/81/26/1225078126.db2.gz IKNKXXWEHCYLPM-FUHWJXTLSA-N 2 0 366.469 0.967 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1F ZINC001220821436 1225087771 /nfs/dbraw/zinc/08/77/71/1225087771.db2.gz JXGPJSFOLPUDLY-HOTGVXAUSA-N 2 0 366.437 0.595 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001489348850 1208778701 /nfs/dbraw/zinc/77/87/01/1208778701.db2.gz ORXFBDVVSKWLTH-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2[C@H](O)CCN2Cc2ccccc2)C[NH2+]C1 ZINC001220827595 1225092119 /nfs/dbraw/zinc/09/21/19/1225092119.db2.gz UPZDRGWTRNCNAW-IAGOWNOFSA-N 2 0 359.426 0.158 20 0 FCADRP CO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001489541072 1208900108 /nfs/dbraw/zinc/90/01/08/1208900108.db2.gz HNXAGARTAZVQJU-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccc(C)cc2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220851417 1225107466 /nfs/dbraw/zinc/10/74/66/1225107466.db2.gz VQLMJMWLOFGANS-QGZVFWFLSA-N 2 0 374.485 0.353 20 0 FCADRP Cc1ccc([C@@H](C(=O)NCCN2CCNCC2=O)N2CCC([NH3+])CC2)cc1 ZINC001220874717 1225119139 /nfs/dbraw/zinc/11/91/39/1225119139.db2.gz NIEDQELGNHZRSE-IBGZPJMESA-N 2 0 373.501 0.007 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC001220903565 1225131326 /nfs/dbraw/zinc/13/13/26/1225131326.db2.gz WQRVYGNKEMKUAH-KRWDZBQOSA-N 2 0 358.486 0.652 20 0 FCADRP NC(=O)[C@@](O)(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000851739481 1209518512 /nfs/dbraw/zinc/51/85/12/1209518512.db2.gz BURNNVLJJFNJJR-HXUWFJFHSA-N 2 0 361.486 0.794 20 0 FCADRP [NH3+][C@H](C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C1CC[NH2+]CC1 ZINC001220928015 1225145506 /nfs/dbraw/zinc/14/55/06/1225145506.db2.gz DBQFLKLYRJFGGY-KRWDZBQOSA-N 2 0 359.474 0.377 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220936377 1225148887 /nfs/dbraw/zinc/14/88/87/1225148887.db2.gz FSTWSPCNZBPIEW-APWZRJJASA-N 2 0 371.485 0.609 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001110734483 1209764083 /nfs/dbraw/zinc/76/40/83/1209764083.db2.gz QPMGSKCJFBGYDP-TWMKSMIVSA-N 2 0 363.506 0.696 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(C)c2)CC1 ZINC000861538578 1209870143 /nfs/dbraw/zinc/87/01/43/1209870143.db2.gz DCZDYHRXEJODIF-HNNXBMFYSA-N 2 0 361.490 0.881 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220974613 1225169141 /nfs/dbraw/zinc/16/91/41/1225169141.db2.gz FBTRBFXJMGFHPF-RYQLBKOJSA-N 2 0 360.477 0.804 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978324 1225170516 /nfs/dbraw/zinc/17/05/16/1225170516.db2.gz XYNMFDVCJPKBIE-OLMNPRSZSA-N 2 0 365.449 0.708 20 0 FCADRP Cc1ccccc1OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220978122 1225170734 /nfs/dbraw/zinc/17/07/34/1225170734.db2.gz NCPNMRWGCMTUMT-KURKYZTESA-N 2 0 361.486 0.877 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863750569 1209949423 /nfs/dbraw/zinc/94/94/23/1209949423.db2.gz QUYZIDZNIAJRDN-WBVHZDCISA-N 2 0 361.490 0.700 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000863766633 1209951332 /nfs/dbraw/zinc/95/13/32/1209951332.db2.gz WNCIFAHBWRDSHG-OAHLLOKOSA-N 2 0 361.490 0.952 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2F)CC1 ZINC000868037549 1210039448 /nfs/dbraw/zinc/03/94/48/1210039448.db2.gz FKXKTBXWPBCJLU-UHFFFAOYSA-N 2 0 361.425 0.770 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302849 1210050902 /nfs/dbraw/zinc/05/09/02/1210050902.db2.gz NTWCTEMLEKZWKD-GASCZTMLSA-N 2 0 359.474 0.621 20 0 FCADRP O=C(NCc1cn(Cc2ccncc2)cn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221025813 1225190990 /nfs/dbraw/zinc/19/09/90/1225190990.db2.gz ISBXOPYBOGHORS-QGZVFWFLSA-N 2 0 354.458 0.817 20 0 FCADRP [NH3+]CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1 ZINC001221060559 1225204291 /nfs/dbraw/zinc/20/42/91/1225204291.db2.gz FIDXNOJJHNNKGQ-KRWDZBQOSA-N 2 0 358.417 0.804 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@H]([NH3+])C(C)(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070569 1225208642 /nfs/dbraw/zinc/20/86/42/1225208642.db2.gz XJBZHCZCUHRBPG-JTAWPXLSSA-N 2 0 371.522 0.778 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072507 1225209407 /nfs/dbraw/zinc/20/94/07/1225209407.db2.gz GHQDNGNUDCDHLD-RDWMDRTOSA-N 2 0 369.506 0.404 20 0 FCADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073496 1225211517 /nfs/dbraw/zinc/21/15/17/1225211517.db2.gz YUSBZFOJJHBUSB-KSZLIROESA-N 2 0 371.522 0.057 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000876781201 1210430347 /nfs/dbraw/zinc/43/03/47/1210430347.db2.gz MFZBURPAZLKODU-QGZVFWFLSA-N 2 0 362.522 0.873 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C[C@H]1C[NH+](C)C ZINC000877144127 1210438232 /nfs/dbraw/zinc/43/82/32/1210438232.db2.gz HRQJPZWAGXUKPC-HZPDHXFCSA-N 3 0 363.506 0.953 20 0 FCADRP CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000880310901 1210525437 /nfs/dbraw/zinc/52/54/37/1210525437.db2.gz OAEPUAVPQVYWBL-RYQLBKOJSA-N 2 0 371.485 0.529 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221113827 1225227074 /nfs/dbraw/zinc/22/70/74/1225227074.db2.gz CVCIWFGYCALCMD-INIZCTEOSA-N 3 0 357.502 0.693 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000883288680 1210661138 /nfs/dbraw/zinc/66/11/38/1210661138.db2.gz NYNSCZCTSJERMC-GOSISDBHSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883347004 1210663595 /nfs/dbraw/zinc/66/35/95/1210663595.db2.gz KHBLYPSLWYBIEZ-IAGOWNOFSA-N 2 0 360.506 0.938 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883423826 1210666460 /nfs/dbraw/zinc/66/64/60/1210666460.db2.gz WIHLYXJTCSYWQS-INIZCTEOSA-N 2 0 365.522 0.986 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883604097 1210673565 /nfs/dbraw/zinc/67/35/65/1210673565.db2.gz MMLIZZRQDWCGQZ-KRWDZBQOSA-N 2 0 359.474 0.635 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883605073 1210673637 /nfs/dbraw/zinc/67/36/37/1210673637.db2.gz LMSQZNPIYUBCCV-KRWDZBQOSA-N 2 0 359.474 0.635 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883605316 1210673857 /nfs/dbraw/zinc/67/38/57/1210673857.db2.gz RYEHKWLTJRRGNZ-AEFFLSMTSA-N 2 0 371.485 0.778 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883605526 1210673882 /nfs/dbraw/zinc/67/38/82/1210673882.db2.gz WOHKAKHDUAHFAD-MAUKXSAKSA-N 2 0 371.485 0.717 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883607137 1210674468 /nfs/dbraw/zinc/67/44/68/1210674468.db2.gz MDIPDGXYDBQWAO-KRWDZBQOSA-N 2 0 357.458 0.245 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611729 1210675284 /nfs/dbraw/zinc/67/52/84/1210675284.db2.gz HTJORRKZYHADKG-IIDMSEBBSA-N 2 0 371.485 0.858 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883638924 1210677287 /nfs/dbraw/zinc/67/72/87/1210677287.db2.gz ADKLFWVKCGABEE-YQQAZPJKSA-N 2 0 359.474 0.847 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000883639275 1210677299 /nfs/dbraw/zinc/67/72/99/1210677299.db2.gz KQHSMSMPZQIQOE-UXLLHSPISA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883640636 1210677479 /nfs/dbraw/zinc/67/74/79/1210677479.db2.gz VCVHTSBBECLACP-JYJNAYRXSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883639737 1210677727 /nfs/dbraw/zinc/67/77/27/1210677727.db2.gz XHMVYQDXMBAISR-MXSMSXNCSA-N 2 0 371.485 0.705 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883642429 1210678234 /nfs/dbraw/zinc/67/82/34/1210678234.db2.gz LNSCODRRLDXPBT-JKSUJKDBSA-N 2 0 359.474 0.849 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883643490 1210678410 /nfs/dbraw/zinc/67/84/10/1210678410.db2.gz NAOQOWBFOYXDKK-OXJNMPFZSA-N 2 0 371.485 0.721 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000883645850 1210678969 /nfs/dbraw/zinc/67/89/69/1210678969.db2.gz YTUWUWYOIZNBGP-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000884225353 1210724964 /nfs/dbraw/zinc/72/49/64/1210724964.db2.gz PIHVTSQCLQNVFX-UHFFFAOYSA-N 2 0 359.474 0.428 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000884341476 1210731271 /nfs/dbraw/zinc/73/12/71/1210731271.db2.gz YNGRMLWQDIEREI-MRXNPFEDSA-N 2 0 358.446 0.812 20 0 FCADRP CCC1([NH+]2CCC2)CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000884475001 1210736959 /nfs/dbraw/zinc/73/69/59/1210736959.db2.gz UBLVSZDXOUDTGJ-UHFFFAOYSA-N 2 0 363.506 0.910 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884486033 1210737783 /nfs/dbraw/zinc/73/77/83/1210737783.db2.gz MOACIZOOXTYVLZ-IRXDYDNUSA-N 2 0 374.485 0.596 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)CC1 ZINC001221133968 1225234921 /nfs/dbraw/zinc/23/49/21/1225234921.db2.gz DUPFWELYUUFANW-INIZCTEOSA-N 2 0 363.458 0.804 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000884486454 1210737951 /nfs/dbraw/zinc/73/79/51/1210737951.db2.gz XAAWGBRHDUFLCR-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)cc1 ZINC000884502949 1210740507 /nfs/dbraw/zinc/74/05/07/1210740507.db2.gz XKZNXXQVRMZLDR-BZSNNMDCSA-N 2 0 356.470 0.821 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000884508271 1210740979 /nfs/dbraw/zinc/74/09/79/1210740979.db2.gz ZGOMVJBTBPZZOF-OAHLLOKOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000884518722 1210744023 /nfs/dbraw/zinc/74/40/23/1210744023.db2.gz YFTGRQWLIOJRCK-GDBMZVCRSA-N 2 0 362.474 0.296 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000884554317 1210748729 /nfs/dbraw/zinc/74/87/29/1210748729.db2.gz QTLYPEWZVAHDPA-FMKPAKJESA-N 2 0 364.490 0.003 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000884554320 1210749443 /nfs/dbraw/zinc/74/94/43/1210749443.db2.gz QTLYPEWZVAHDPA-YCPHGPKFSA-N 2 0 364.490 0.003 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884555788 1210749948 /nfs/dbraw/zinc/74/99/48/1210749948.db2.gz ZYPQVOJIZHGFOI-HFTRVMKXSA-N 2 0 358.486 0.662 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884555791 1210750030 /nfs/dbraw/zinc/75/00/30/1210750030.db2.gz ZYPQVOJIZHGFOI-UWWQBHOKSA-N 2 0 358.486 0.662 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000884577101 1210755762 /nfs/dbraw/zinc/75/57/62/1210755762.db2.gz XVUDNOBDQGIBKT-GVDBMIGSSA-N 2 0 362.449 0.898 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884577327 1210756003 /nfs/dbraw/zinc/75/60/03/1210756003.db2.gz CJFNPLLLAOCSJD-RTBURBONSA-N 2 0 370.497 0.904 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884577257 1210756014 /nfs/dbraw/zinc/75/60/14/1210756014.db2.gz ANILWCCKJUWJGK-RBSFLKMASA-N 2 0 374.476 0.832 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598322 1210758979 /nfs/dbraw/zinc/75/89/79/1210758979.db2.gz YGOWKOGRRCJZNI-LSDHHAIUSA-N 2 0 374.476 0.976 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884603351 1210761256 /nfs/dbraw/zinc/76/12/56/1210761256.db2.gz HWQNGNPKKXNMLD-LPHOPBHVSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000884604252 1210761385 /nfs/dbraw/zinc/76/13/85/1210761385.db2.gz CMRBBONOZXHEAR-CYGHRXIMSA-N 2 0 358.486 0.676 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001221139296 1225236993 /nfs/dbraw/zinc/23/69/93/1225236993.db2.gz YAZRYFIYGBEHOQ-UHFFFAOYSA-N 2 0 372.391 0.561 20 0 FCADRP [NH3+][C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000884631519 1210767727 /nfs/dbraw/zinc/76/77/27/1210767727.db2.gz MZBDSBMWILXQBW-ROUUACIJSA-N 2 0 358.486 0.663 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884632595 1210768489 /nfs/dbraw/zinc/76/84/89/1210768489.db2.gz UBOKQXWXEFNYFH-IYBDPMFKSA-N 2 0 357.458 0.377 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884645956 1210772583 /nfs/dbraw/zinc/77/25/83/1210772583.db2.gz BDJZIARNHQXLGY-NRSFXHEJSA-N 2 0 356.470 0.728 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1c1cc[nH+]cc1 ZINC000884672257 1210776250 /nfs/dbraw/zinc/77/62/50/1210776250.db2.gz NVSGZEZEBCHGII-HNNXBMFYSA-N 2 0 359.474 0.897 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884674865 1210776879 /nfs/dbraw/zinc/77/68/79/1210776879.db2.gz KETXAVLWMYPQID-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675064 1210777198 /nfs/dbraw/zinc/77/71/98/1210777198.db2.gz QSUXYHHDGALLGK-QFBILLFUSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884678008 1210777934 /nfs/dbraw/zinc/77/79/34/1210777934.db2.gz MHZSKPPAQVKPQY-ABSDTBQOSA-N 2 0 356.470 0.445 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884678850 1210779587 /nfs/dbraw/zinc/77/95/87/1210779587.db2.gz NUHPNBOWFBFNCB-WAOWUJCRSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884688225 1210781605 /nfs/dbraw/zinc/78/16/05/1210781605.db2.gz WGKPGMZJZUSZOF-BBTUJRGHSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884692752 1210782249 /nfs/dbraw/zinc/78/22/49/1210782249.db2.gz VEAIUTYOFXODOP-SZMVWBNQSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884697532 1210783398 /nfs/dbraw/zinc/78/33/98/1210783398.db2.gz AXZLGYLNTQNJQX-RIFZZMRRSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884706571 1210784847 /nfs/dbraw/zinc/78/48/47/1210784847.db2.gz HPUSGZKKWYRYPJ-JLSDUUJJSA-N 2 0 358.486 0.724 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000884706107 1210785266 /nfs/dbraw/zinc/78/52/66/1210785266.db2.gz RXSGIONRZCLRJO-HOCLYGCPSA-N 2 0 368.522 0.842 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000884712361 1210786262 /nfs/dbraw/zinc/78/62/62/1210786262.db2.gz PCJHBKIVKFDLEP-BEFAXECRSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000884716754 1210787209 /nfs/dbraw/zinc/78/72/09/1210787209.db2.gz ICFRUBFVSPXOEW-FPAYPSAMSA-N 2 0 372.513 0.985 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@@H]21 ZINC000884725994 1210790636 /nfs/dbraw/zinc/79/06/36/1210790636.db2.gz DLIOEDFUROUJHE-IXNMUODESA-N 2 0 374.529 0.809 20 0 FCADRP [NH3+]Cc1cccc(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)c1 ZINC001221148853 1225240917 /nfs/dbraw/zinc/24/09/17/1225240917.db2.gz RFTVXRYNXQITFX-UHFFFAOYSA-N 2 0 374.466 0.705 20 0 FCADRP CCN(C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884778687 1210794270 /nfs/dbraw/zinc/79/42/70/1210794270.db2.gz DBNFOKBZPYODFN-SFHVURJKSA-N 2 0 373.501 0.620 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000884787210 1210796048 /nfs/dbraw/zinc/79/60/48/1210796048.db2.gz KLMXMPHNGWJIFW-JKSUJKDBSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884805686 1210797616 /nfs/dbraw/zinc/79/76/16/1210797616.db2.gz YCQDCTLOTUXXLI-GOEBONIOSA-N 2 0 357.458 0.520 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884833850 1210800276 /nfs/dbraw/zinc/80/02/76/1210800276.db2.gz PWHAAEHESGTPMZ-MXSMSXNCSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834298 1210800411 /nfs/dbraw/zinc/80/04/11/1210800411.db2.gz UYVWNNSPMWMYNR-WZGPROSRSA-N 2 0 370.497 0.549 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000884837831 1210800817 /nfs/dbraw/zinc/80/08/17/1210800817.db2.gz LLMVHAOCVIIHHD-AEFFLSMTSA-N 2 0 356.470 0.501 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000884875767 1210802166 /nfs/dbraw/zinc/80/21/66/1210802166.db2.gz LKZPCUKLSDFKMU-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974616 1210805961 /nfs/dbraw/zinc/80/59/61/1210805961.db2.gz ZZZISJJMSWDYKM-INIZCTEOSA-N 2 0 370.538 0.698 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000884982713 1210806508 /nfs/dbraw/zinc/80/65/08/1210806508.db2.gz ITARNGOSUVSPDU-FGTMMUONSA-N 2 0 356.470 0.648 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH3+])CC3)C2)cc1 ZINC000884983304 1210806795 /nfs/dbraw/zinc/80/67/95/1210806795.db2.gz QDEOSHUGKHIEHL-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983098 1210807031 /nfs/dbraw/zinc/80/70/31/1210807031.db2.gz NUPBKOLYNRZZAX-WIYYLYMNSA-N 2 0 370.497 0.898 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884983378 1210807059 /nfs/dbraw/zinc/80/70/59/1210807059.db2.gz QFIASIRLMHZYLM-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885005291 1210807633 /nfs/dbraw/zinc/80/76/33/1210807633.db2.gz UKYHMBSVGNSAOP-WCXIOVBPSA-N 2 0 371.485 0.766 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885005290 1210807729 /nfs/dbraw/zinc/80/77/29/1210807729.db2.gz UKYHMBSVGNSAOP-NXOAAHMSSA-N 2 0 371.485 0.766 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885007561 1210807761 /nfs/dbraw/zinc/80/77/61/1210807761.db2.gz CHILJFMOBDXIAT-ZJPYXAASSA-N 2 0 362.518 0.824 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149071 1210812626 /nfs/dbraw/zinc/81/26/26/1210812626.db2.gz WNTAHNSJWRZTID-HZPDHXFCSA-N 2 0 366.506 0.062 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156598 1210813331 /nfs/dbraw/zinc/81/33/31/1210813331.db2.gz YQMALQWDMZCQNN-CRAIPNDOSA-N 2 0 358.486 0.617 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885156022 1210813416 /nfs/dbraw/zinc/81/34/16/1210813416.db2.gz JCTVUDCKOKRHDK-GOSISDBHSA-N 2 0 360.502 0.863 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000885156030 1210813579 /nfs/dbraw/zinc/81/35/79/1210813579.db2.gz JHMZDWSHNCUABA-RBUKOAKNSA-N 2 0 370.497 0.904 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885162625 1210814111 /nfs/dbraw/zinc/81/41/11/1210814111.db2.gz QJIOGLSDAJVHQD-QRVBRYPASA-N 2 0 370.497 0.760 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885163033 1210814528 /nfs/dbraw/zinc/81/45/28/1210814528.db2.gz WWYUAVRLZGHWGZ-CRAIPNDOSA-N 2 0 358.486 0.617 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885294557 1210817560 /nfs/dbraw/zinc/81/75/60/1210817560.db2.gz IEGIWMCYKKAAEC-AWEZNQCLSA-N 2 0 372.460 0.824 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064215 1210844544 /nfs/dbraw/zinc/84/45/44/1210844544.db2.gz BYENDSFNPYSWNQ-KANFNMMFSA-N 2 0 370.497 0.915 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887068939 1210845579 /nfs/dbraw/zinc/84/55/79/1210845579.db2.gz VANKTVXZENGUIW-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000887079683 1210846121 /nfs/dbraw/zinc/84/61/21/1210846121.db2.gz XGTRHLVYDWDHKF-FQEVSTJZSA-N 2 0 371.485 0.722 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)CC[C@H]21 ZINC000887080732 1210846247 /nfs/dbraw/zinc/84/62/47/1210846247.db2.gz DVACNXDIAUZPKR-HLIPFELVSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887091735 1210847041 /nfs/dbraw/zinc/84/70/41/1210847041.db2.gz UVYGAUVJBUTIHD-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000887091158 1210847168 /nfs/dbraw/zinc/84/71/68/1210847168.db2.gz BIRZFCDPWMXEAD-INIZCTEOSA-N 2 0 371.485 0.721 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887091808 1210847264 /nfs/dbraw/zinc/84/72/64/1210847264.db2.gz WSNVTKIFHPKQLP-JKSUJKDBSA-N 2 0 359.474 0.577 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090878 1210879022 /nfs/dbraw/zinc/87/90/22/1210879022.db2.gz LPHBOVDBNQCMGW-IRXDYDNUSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)[C@H]4C[NH+]5CCC4CC5)(C2)C3)CC1 ZINC001274098810 1210880060 /nfs/dbraw/zinc/88/00/60/1210880060.db2.gz SWOCOFMAUMCJFB-DZIBYMRMSA-N 2 0 360.502 0.578 20 0 FCADRP C[C@@H](C(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](C)C ZINC001274158153 1210900090 /nfs/dbraw/zinc/90/00/90/1210900090.db2.gz VBYICAKSLIISAC-SUNYJGFJSA-N 2 0 362.478 0.324 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933347 1210921354 /nfs/dbraw/zinc/92/13/54/1210921354.db2.gz NHTDFPXQCRWVHH-AXVVYFOYSA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C ZINC000889082083 1210933268 /nfs/dbraw/zinc/93/32/68/1210933268.db2.gz HQMRMGKIVNWACK-CHWSQXEVSA-N 2 0 366.466 0.410 20 0 FCADRP O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771193 1210949745 /nfs/dbraw/zinc/94/97/45/1210949745.db2.gz XYMWPIPASYHIJD-SFHLNBCPSA-N 2 0 373.497 0.681 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890141679 1210969156 /nfs/dbraw/zinc/96/91/56/1210969156.db2.gz ODCPTRHFRZQPAE-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cnc1C ZINC000890415282 1210977920 /nfs/dbraw/zinc/97/79/20/1210977920.db2.gz CKGSDEDYFJGURX-HZPDHXFCSA-N 2 0 361.490 0.835 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2CC1 ZINC001274419196 1211050049 /nfs/dbraw/zinc/05/00/49/1211050049.db2.gz QZSYSIQRQOTBIJ-KSZLIROESA-N 2 0 362.518 0.587 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001221188343 1225259420 /nfs/dbraw/zinc/25/94/20/1225259420.db2.gz SUVSBVSRFZZOGM-JKSUJKDBSA-N 2 0 361.442 0.733 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221190158 1225262392 /nfs/dbraw/zinc/26/23/92/1225262392.db2.gz CPSVFWXQXLARPI-ALKREAHSSA-N 2 0 360.458 0.109 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[NH+]4CC4CC4)CC3)[C@@H]2C1 ZINC001274923931 1211144895 /nfs/dbraw/zinc/14/48/95/1211144895.db2.gz HMZXMQCXXOKPSL-ZACQAIPSSA-N 2 0 360.502 0.530 20 0 FCADRP CC(C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275064174 1211173305 /nfs/dbraw/zinc/17/33/05/1211173305.db2.gz OZLILWYYGBFVIJ-FQEVSTJZSA-N 2 0 366.550 0.831 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143005 1211179615 /nfs/dbraw/zinc/17/96/15/1211179615.db2.gz QLKNPXQSKTYUNN-QUCCMNQESA-N 2 0 364.534 0.585 20 0 FCADRP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275162483 1211186145 /nfs/dbraw/zinc/18/61/45/1211186145.db2.gz VGQVMZLBDXAUCD-LJQANCHMSA-N 2 0 361.490 0.940 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170313 1211187443 /nfs/dbraw/zinc/18/74/43/1211187443.db2.gz UCFSQMXGOJDDPO-LJQANCHMSA-N 2 0 360.506 0.472 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171064 1211187660 /nfs/dbraw/zinc/18/76/60/1211187660.db2.gz CRXOOPGUDKJSQX-AZUAARDMSA-N 2 0 364.534 0.868 20 0 FCADRP COc1nccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275262019 1211205391 /nfs/dbraw/zinc/20/53/91/1211205391.db2.gz WCZXWGRJSYXAIZ-SFHVURJKSA-N 2 0 361.446 0.388 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccnn3C)C2)C1=O ZINC001275365257 1211221719 /nfs/dbraw/zinc/22/17/19/1211221719.db2.gz LURCLPNOMYYZDX-GOSISDBHSA-N 2 0 356.430 0.695 20 0 FCADRP CN1C[C@@]2(CC[N@H+](Cc3ccc(CN4CCOCC4)cc3)C2)OCC1=O ZINC001275389260 1211229195 /nfs/dbraw/zinc/22/91/95/1211229195.db2.gz ALGQAABNRJPYDH-HXUWFJFHSA-N 2 0 359.470 0.952 20 0 FCADRP CN1C[C@@]2(CC[N@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)OCC1=O ZINC001275401811 1211231343 /nfs/dbraw/zinc/23/13/43/1211231343.db2.gz PLGBBSGHGWKOER-HXUWFJFHSA-N 2 0 358.486 0.872 20 0 FCADRP C[NH+](C)CC(C)(C)CN1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275511567 1211252387 /nfs/dbraw/zinc/25/23/87/1211252387.db2.gz KGFPRVYIHWKTEY-LJQANCHMSA-N 2 0 361.490 0.868 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556949 1211256272 /nfs/dbraw/zinc/25/62/72/1211256272.db2.gz QWGNNNCRWBJPCQ-HNAYVOBHSA-N 2 0 367.490 0.583 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556945 1211256530 /nfs/dbraw/zinc/25/65/30/1211256530.db2.gz QWGNNNCRWBJPCQ-BEFAXECRSA-N 2 0 367.490 0.583 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C3)CC1 ZINC001275576341 1211259031 /nfs/dbraw/zinc/25/90/31/1211259031.db2.gz HMWVDMMKQGVJAT-PTSWNOGYSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1noc(CN2C[C@@]3(CC2=O)COCC[N@H+](CC2CC[NH2+]CC2)C3)n1 ZINC001275738045 1211279149 /nfs/dbraw/zinc/27/91/49/1211279149.db2.gz SGHBXDBZRTYLPL-SFHVURJKSA-N 2 0 363.462 0.429 20 0 FCADRP NC(=O)CCCCCN1C[C@@]2(F)CN(CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737131 1211279449 /nfs/dbraw/zinc/27/94/49/1211279449.db2.gz INMSLGPBGBBSLB-ZWKOTPCHSA-N 2 0 372.460 0.606 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833322 1211293734 /nfs/dbraw/zinc/29/37/34/1211293734.db2.gz BAAQBKKAIBTLTM-DNVCBOLYSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862119 1211299296 /nfs/dbraw/zinc/29/92/96/1211299296.db2.gz BHBTZHQAVVKCAZ-HXUWFJFHSA-N 3 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4n[nH]cc4c3)C2)OCC1=O ZINC001275867412 1211300598 /nfs/dbraw/zinc/30/05/98/1211300598.db2.gz KTWFYIXQXHGRAB-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877485 1211302842 /nfs/dbraw/zinc/30/28/42/1211302842.db2.gz CDHWUJNTVBPJRO-YLJYHZDGSA-N 2 0 362.518 0.921 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877711 1211303373 /nfs/dbraw/zinc/30/33/73/1211303373.db2.gz FPEGFBBMFKTDJA-FCEWJHQRSA-N 2 0 367.490 0.441 20 0 FCADRP CN(C)C(=O)CCN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881255 1211305241 /nfs/dbraw/zinc/30/52/41/1211305241.db2.gz XUAHMCUVLMXDLE-VQIMIIECSA-N 2 0 366.506 0.110 20 0 FCADRP Cn1cncc1CN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879225 1211305669 /nfs/dbraw/zinc/30/56/69/1211305669.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 2 0 361.490 0.565 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001275940726 1211314335 /nfs/dbraw/zinc/31/43/35/1211314335.db2.gz GBPZKIIKPLOFNL-MRXNPFEDSA-N 2 0 362.518 0.920 20 0 FCADRP COCCn1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)cn1 ZINC001275972559 1211319239 /nfs/dbraw/zinc/31/92/39/1211319239.db2.gz HTZLIZHYCYBRCR-KRWDZBQOSA-N 2 0 363.506 0.809 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001095424590 1211333750 /nfs/dbraw/zinc/33/37/50/1211333750.db2.gz WHSIWRYDFOTKBE-XWSJACJDSA-N 2 0 370.497 0.949 20 0 FCADRP CNc1nccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276057588 1211343928 /nfs/dbraw/zinc/34/39/28/1211343928.db2.gz XLBOVEUYNQNCKD-SFHVURJKSA-N 2 0 360.462 0.421 20 0 FCADRP CC[C@@H](CCC(=O)OC)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269712 1211400319 /nfs/dbraw/zinc/40/03/19/1211400319.db2.gz OFUCCMPXVGDGOL-QFBILLFUSA-N 2 0 369.506 0.831 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000547269126 1211451694 /nfs/dbraw/zinc/45/16/94/1211451694.db2.gz ZYKFYSXTWZGKMW-IBGZPJMESA-N 2 0 362.474 0.650 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CN2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924468182 1211470543 /nfs/dbraw/zinc/47/05/43/1211470543.db2.gz UMURCPDDLBHSQV-GOSISDBHSA-N 2 0 373.501 0.806 20 0 FCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924657594 1211476403 /nfs/dbraw/zinc/47/64/03/1211476403.db2.gz IBWZSOFGKINALN-CQSZACIVSA-N 2 0 359.474 0.895 20 0 FCADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)ccn2)CC1 ZINC000924688234 1211477323 /nfs/dbraw/zinc/47/73/23/1211477323.db2.gz FDEPCYWEVCYFDB-QGZVFWFLSA-N 2 0 359.474 0.218 20 0 FCADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693445 1211477532 /nfs/dbraw/zinc/47/75/32/1211477532.db2.gz ZPZJEUGSGGYCKP-NVXWUHKLSA-N 2 0 359.474 0.679 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926315029 1211529808 /nfs/dbraw/zinc/52/98/08/1211529808.db2.gz GGRDQYJPSZINBA-MRXNPFEDSA-N 2 0 364.465 0.913 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000926327959 1211532072 /nfs/dbraw/zinc/53/20/72/1211532072.db2.gz KSKGALKSNWOCKX-KRWDZBQOSA-N 2 0 366.506 0.145 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[NH3+] ZINC001221348544 1225301299 /nfs/dbraw/zinc/30/12/99/1225301299.db2.gz JSHKXSBSSDWCJL-IRXDYDNUSA-N 2 0 364.490 0.648 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000927888732 1211590539 /nfs/dbraw/zinc/59/05/39/1211590539.db2.gz XDQMKSUIMDZXCR-CQSZACIVSA-N 2 0 362.478 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C[C@H]1[NH3+] ZINC000927896132 1211590862 /nfs/dbraw/zinc/59/08/62/1211590862.db2.gz BNJNHCMFZFDKFB-RDTXWAMCSA-N 2 0 373.501 0.961 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1 ZINC001110953690 1211613562 /nfs/dbraw/zinc/61/35/62/1211613562.db2.gz DGEYHBHHKOJYKY-ZACQAIPSSA-N 2 0 360.506 0.958 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N[C@@H]3C[NH2+]CC[C@H]3F)cc(=O)oc2c1 ZINC001221365592 1225303094 /nfs/dbraw/zinc/30/30/94/1225303094.db2.gz FYGVWHICXIMHGQ-QLFBSQMISA-N 2 0 363.389 0.488 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221390761 1225305663 /nfs/dbraw/zinc/30/56/63/1225305663.db2.gz HSBOCLYLNNTFEU-OXJNMPFZSA-N 3 0 372.517 0.776 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399461 1225306387 /nfs/dbraw/zinc/30/63/87/1225306387.db2.gz PEMYSFRIJLZGFP-OALUTQOASA-N 2 0 366.465 0.503 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000929963871 1211676113 /nfs/dbraw/zinc/67/61/13/1211676113.db2.gz IRPSTAHAXLRZQN-KRWDZBQOSA-N 2 0 374.485 0.080 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC000931433106 1211756419 /nfs/dbraw/zinc/75/64/19/1211756419.db2.gz PKJIDULFMAPSTR-SJORKVTESA-N 2 0 358.490 0.399 20 0 FCADRP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931487221 1211757872 /nfs/dbraw/zinc/75/78/72/1211757872.db2.gz WIBWTEAFVVNIMI-OAHLLOKOSA-N 2 0 369.506 0.565 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000931608665 1211763016 /nfs/dbraw/zinc/76/30/16/1211763016.db2.gz WXFBCCWSTXRHJZ-HNNXBMFYSA-N 2 0 359.474 0.708 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000931606929 1211763057 /nfs/dbraw/zinc/76/30/57/1211763057.db2.gz CNPHQOBTEYTYPW-QGZVFWFLSA-N 2 0 359.474 0.851 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000931611486 1211763429 /nfs/dbraw/zinc/76/34/29/1211763429.db2.gz VEIHCNONBMUEFY-WMLDXEAASA-N 2 0 359.474 0.707 20 0 FCADRP Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001111022776 1211795347 /nfs/dbraw/zinc/79/53/47/1211795347.db2.gz XCPKAWMNHUWGLO-AHCXZYCDSA-N 2 0 362.474 0.484 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000948385089 1212165261 /nfs/dbraw/zinc/16/52/61/1212165261.db2.gz IXDHBLTUYRRUED-BRWVUGGUSA-N 2 0 365.522 0.665 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001007479532 1212501121 /nfs/dbraw/zinc/50/11/21/1212501121.db2.gz LKBDOEDDZMSTSW-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP COc1ccncc1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000950243775 1212539418 /nfs/dbraw/zinc/53/94/18/1212539418.db2.gz MERIBQJDZVNWKA-FVQBIDKESA-N 2 0 360.458 0.690 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3nccnc3F)CC2)CC[N@@H+]1C ZINC001111323762 1212644378 /nfs/dbraw/zinc/64/43/78/1212644378.db2.gz VDVVTQRVCDPTKO-UKRRQHHQSA-N 2 0 364.469 0.948 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000779522850 1212651035 /nfs/dbraw/zinc/65/10/35/1212651035.db2.gz GDBNIBNLUFHIBZ-UHFFFAOYSA-N 2 0 359.474 0.541 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)CC[N@@H+]1C ZINC001008361304 1212685383 /nfs/dbraw/zinc/68/53/83/1212685383.db2.gz AYBBBTQAHPRLEM-BZUAXINKSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000951421627 1212825679 /nfs/dbraw/zinc/82/56/79/1212825679.db2.gz TWDKCAJUDPPHJH-RRFJBIMHSA-N 2 0 357.458 0.716 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000193515262 1212843116 /nfs/dbraw/zinc/84/31/16/1212843116.db2.gz JTWFWUJGEWTPPU-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954278826 1213054779 /nfs/dbraw/zinc/05/47/79/1213054779.db2.gz PTIPIMWGZASVGE-HYVNUMGLSA-N 2 0 366.506 0.248 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000954412441 1213071270 /nfs/dbraw/zinc/07/12/70/1213071270.db2.gz IKSIUVZOPBIDAR-RCCFBDPRSA-N 2 0 362.518 0.728 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000246357120 1213081369 /nfs/dbraw/zinc/08/13/69/1213081369.db2.gz KSELXZGSAAGXDB-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000956377565 1213188505 /nfs/dbraw/zinc/18/85/05/1213188505.db2.gz APOLORVAZXAZQO-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796613 1213215940 /nfs/dbraw/zinc/21/59/40/1213215940.db2.gz DNJJAUOPXMSDSF-DLBZAZTESA-N 2 0 365.522 0.319 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796614 1213216068 /nfs/dbraw/zinc/21/60/68/1213216068.db2.gz DNJJAUOPXMSDSF-IAGOWNOFSA-N 2 0 365.522 0.319 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000957083193 1213247630 /nfs/dbraw/zinc/24/76/30/1213247630.db2.gz NAZOEXGYFCSHRK-HYVNUMGLSA-N 2 0 360.502 0.387 20 0 FCADRP CCN(Cc1cnon1)CC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000957726058 1213352367 /nfs/dbraw/zinc/35/23/67/1213352367.db2.gz KZCCFGOXYQEKAG-RHSMWYFYSA-N 2 0 365.478 0.849 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21)[NH+](C)C ZINC000960568102 1213823724 /nfs/dbraw/zinc/82/37/24/1213823724.db2.gz BECDQRNFKJRLLA-TWMKSMIVSA-N 2 0 368.522 0.351 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011208777 1213848977 /nfs/dbraw/zinc/84/89/77/1213848977.db2.gz OHGIXAZUHJUZCY-KZNAEPCWSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21)[NH+](C)C ZINC000960968106 1214042430 /nfs/dbraw/zinc/04/24/30/1214042430.db2.gz BECDQRNFKJRLLA-NXOAAHMSSA-N 2 0 368.522 0.351 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001017133268 1214074591 /nfs/dbraw/zinc/07/45/91/1214074591.db2.gz QKCHVOYUJLVJKB-QLFBSQMISA-N 2 0 364.494 0.119 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC[N@@H+]1C ZINC001017488129 1214102404 /nfs/dbraw/zinc/10/24/04/1214102404.db2.gz BXLAHBURGCKDEY-ZTFGCOKTSA-N 2 0 362.518 0.942 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)CC[N@@H+]1C ZINC001018878999 1214168825 /nfs/dbraw/zinc/16/88/25/1214168825.db2.gz BMJGPMIHRPWUOO-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@@H+]1C ZINC001019041800 1214184696 /nfs/dbraw/zinc/18/46/96/1214184696.db2.gz KUMUUPDANYXMOW-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCC[NH+]2C)C3)CC[N@@H+]1C ZINC001019069559 1214189039 /nfs/dbraw/zinc/18/90/39/1214189039.db2.gz WOZKECYCFNOSIX-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C3)CC[N@@H+]1C ZINC001019070143 1214190780 /nfs/dbraw/zinc/19/07/80/1214190780.db2.gz APWWYRHAVQARTA-OIISXLGYSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C4CC4)[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001019108288 1214197538 /nfs/dbraw/zinc/19/75/38/1214197538.db2.gz LIVJUNWCDOBORZ-OIISXLGYSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[N@H+]4CC[C@H](C)C4)C3)C2)CC[NH+]1C ZINC001019443323 1214242688 /nfs/dbraw/zinc/24/26/88/1214242688.db2.gz MKGVCCCZCFXNFZ-GVDBMIGSSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961665608 1214261382 /nfs/dbraw/zinc/26/13/82/1214261382.db2.gz ZUJGOOZJUISDHT-SFFUCWETSA-N 2 0 364.534 0.830 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC000961856903 1214336582 /nfs/dbraw/zinc/33/65/82/1214336582.db2.gz QGDPSPHNASPTLD-FPCDFSMTSA-N 2 0 361.494 0.723 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039865041 1214449962 /nfs/dbraw/zinc/44/99/62/1214449962.db2.gz KJRTUHWPEQGHSI-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NC2CC2)C3)CC[N@@H+]1C ZINC001040211576 1214485355 /nfs/dbraw/zinc/48/53/55/1214485355.db2.gz XOIFXIJTCJJLHQ-WRWLIDTKSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950451 1225548467 /nfs/dbraw/zinc/54/84/67/1225548467.db2.gz IQSSMBIITSPPKS-FGTMMUONSA-N 2 0 371.522 0.131 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221950177 1225549355 /nfs/dbraw/zinc/54/93/55/1225549355.db2.gz WOVMCIRXRQGRNV-FGTMMUONSA-N 2 0 363.502 0.811 20 0 FCADRP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947144 1225548024 /nfs/dbraw/zinc/54/80/24/1225548024.db2.gz UVKYGUOASWPBPR-HZPDHXFCSA-N 2 0 365.478 0.422 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000963874341 1214866038 /nfs/dbraw/zinc/86/60/38/1214866038.db2.gz UXFAQLNIHQGWRU-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000964211571 1214915031 /nfs/dbraw/zinc/91/50/31/1214915031.db2.gz KIAPWUDATMIHKM-HYVNUMGLSA-N 2 0 366.506 0.012 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000965987084 1215156773 /nfs/dbraw/zinc/15/67/73/1215156773.db2.gz QNUWJBOJIFQSES-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042575 1225587428 /nfs/dbraw/zinc/58/74/28/1225587428.db2.gz GLHUUEJFTAKNQI-GUDVDZBRSA-N 2 0 361.486 0.902 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968011038 1215272582 /nfs/dbraw/zinc/27/25/82/1215272582.db2.gz WHTUKHGXHVQVAN-ZTFGCOKTSA-N 2 0 362.518 0.728 20 0 FCADRP CCOC(=O)[C@@H]1CC2(CN1Cc1cnc3n1CC[NH2+]CC3)CC[NH2+]CC2 ZINC001222221044 1225611955 /nfs/dbraw/zinc/61/19/55/1225611955.db2.gz IVFQOYQGUWNMMI-INIZCTEOSA-N 2 0 361.490 0.536 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055647374 1215897443 /nfs/dbraw/zinc/89/74/43/1215897443.db2.gz RGSVEYFBTOXJFM-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055651533 1215899426 /nfs/dbraw/zinc/89/94/26/1215899426.db2.gz PXQGFDLOHHVRMN-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001055651142 1215899503 /nfs/dbraw/zinc/89/95/03/1215899503.db2.gz GDGJKRPFBXMHQD-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000476828 1216068387 /nfs/dbraw/zinc/06/83/87/1216068387.db2.gz MTNLWONLHIYSEZ-NCOADZHNSA-N 2 0 360.502 0.672 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841925 1225656060 /nfs/dbraw/zinc/65/60/60/1225656060.db2.gz GLUXUSYRGNHLQO-RDTXWAMCSA-N 2 0 361.446 0.632 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]21 ZINC001222891635 1225663732 /nfs/dbraw/zinc/66/37/32/1225663732.db2.gz HJLUKRJBLCKRAR-SQNIBIBYSA-N 2 0 363.506 0.773 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1)C1CC1 ZINC001222892930 1225663793 /nfs/dbraw/zinc/66/37/93/1225663793.db2.gz UREACRWFFOOBCL-JLSDUUJJSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276850822 1225667968 /nfs/dbraw/zinc/66/79/68/1225667968.db2.gz GPLVNQCSCXIOOT-AZUAARDMSA-N 2 0 366.550 0.973 20 0 FCADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051623334 1216467491 /nfs/dbraw/zinc/46/74/91/1216467491.db2.gz FLVMHSXYIYYQQB-FVQBIDKESA-N 2 0 363.462 0.142 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccn(CC)n3)C2)CC[N@@H+]1C ZINC001051624928 1216469637 /nfs/dbraw/zinc/46/96/37/1216469637.db2.gz VZBMVBIKGSBPKO-FGTMMUONSA-N 2 0 363.506 0.950 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057854621 1216595694 /nfs/dbraw/zinc/59/56/94/1216595694.db2.gz OZYAPJILYTYDTD-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885019 1216765176 /nfs/dbraw/zinc/76/51/76/1216765176.db2.gz LOBQGMDCTFVFBL-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885198 1216765622 /nfs/dbraw/zinc/76/56/22/1216765622.db2.gz PRROJAIDMKYFTG-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001069038576 1216773782 /nfs/dbraw/zinc/77/37/82/1216773782.db2.gz GFPDFCXLLUZKAN-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928998 1216849456 /nfs/dbraw/zinc/84/94/56/1216849456.db2.gz PQVMWRMLBCLZSU-KURKYZTESA-N 2 0 358.490 0.762 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)CCO1 ZINC001223424929 1225705978 /nfs/dbraw/zinc/70/59/78/1225705978.db2.gz JXHABRQDQMTHCJ-ZACQAIPSSA-N 2 0 366.506 0.108 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430948 1225706138 /nfs/dbraw/zinc/70/61/38/1225706138.db2.gz SQJQIBZHLPJKIO-KKUMJFAQSA-N 2 0 367.494 0.095 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430945 1225706197 /nfs/dbraw/zinc/70/61/97/1225706197.db2.gz SQJQIBZHLPJKIO-ILXRZTDVSA-N 2 0 367.494 0.095 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130614 1225759697 /nfs/dbraw/zinc/75/96/97/1225759697.db2.gz SQCNNWKEEWOBKF-SQNIBIBYSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCCN3CC[NH+](C)CC3)C2)CC1 ZINC001276960096 1225769845 /nfs/dbraw/zinc/76/98/45/1225769845.db2.gz OQNGKMHEADMAOK-GOSISDBHSA-N 2 0 366.550 0.709 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045947083 1217979146 /nfs/dbraw/zinc/97/91/46/1217979146.db2.gz ISQHVJMIPQQXBM-MDZRGWNJSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCN(CCO[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001224552923 1225784103 /nfs/dbraw/zinc/78/41/03/1225784103.db2.gz UIFSNIVIGTYOJT-DLBZAZTESA-N 2 0 368.522 0.944 20 0 FCADRP COc1cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000900480581 1217996114 /nfs/dbraw/zinc/99/61/14/1217996114.db2.gz IIMZGYWCENJENS-KXBFYZLASA-N 2 0 365.474 0.707 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900642535 1218016921 /nfs/dbraw/zinc/01/69/21/1218016921.db2.gz UUVWTPIAWOWRJA-UHFFFAOYSA-N 2 0 364.494 0.117 20 0 FCADRP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900670748 1218022151 /nfs/dbraw/zinc/02/21/51/1218022151.db2.gz VWJINBDTSBBWFJ-QGZVFWFLSA-N 2 0 362.522 0.685 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000900867287 1218046959 /nfs/dbraw/zinc/04/69/59/1218046959.db2.gz SCYZOJALQZOIKB-SJORKVTESA-N 2 0 367.490 0.585 20 0 FCADRP CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384290 1218136186 /nfs/dbraw/zinc/13/61/86/1218136186.db2.gz RMZXTISDWJPPDY-XWSJACJDSA-N 2 0 367.534 0.893 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384661 1218137108 /nfs/dbraw/zinc/13/71/08/1218137108.db2.gz FTHBRIMJXCBKHG-YSHGAJCASA-N 2 0 361.486 0.909 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048827922 1218323293 /nfs/dbraw/zinc/32/32/93/1218323293.db2.gz NLCPCFHSFMXJBO-IGKNDFSCSA-N 2 0 362.518 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001049542782 1218481306 /nfs/dbraw/zinc/48/13/06/1218481306.db2.gz PJYGUZWTYASXEA-YVSFHVDLSA-N 2 0 368.522 0.089 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757140 1218517314 /nfs/dbraw/zinc/51/73/14/1218517314.db2.gz YIZCXVRKFSQMJG-VKJFTORMSA-N 2 0 357.462 0.403 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000903777647 1218523850 /nfs/dbraw/zinc/52/38/50/1218523850.db2.gz CJIHEJHTWSKQAD-LSDHHAIUSA-N 2 0 359.474 0.610 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226160035 1225834960 /nfs/dbraw/zinc/83/49/60/1225834960.db2.gz DJPSFWMIVJOGCH-KFWWJZLASA-N 2 0 367.494 0.332 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001097079661 1218683325 /nfs/dbraw/zinc/68/33/25/1218683325.db2.gz MOCPZYKGGJKALS-XDNAFOTISA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001097100661 1218689265 /nfs/dbraw/zinc/68/92/65/1218689265.db2.gz UVGLBSFBOJAJNM-FGTAOJJYSA-N 2 0 358.486 0.947 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1=O ZINC001097774711 1218845024 /nfs/dbraw/zinc/84/50/24/1218845024.db2.gz FJQNLBYFACBFOH-KURKYZTESA-N 2 0 358.486 0.949 20 0 FCADRP NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001052992868 1218870524 /nfs/dbraw/zinc/87/05/24/1218870524.db2.gz RVCRHZWMSULZSV-XDNAFOTISA-N 2 0 360.502 0.657 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001226766183 1225854298 /nfs/dbraw/zinc/85/42/98/1225854298.db2.gz IVSDXXSAMQCOOJ-RRFJBIMHSA-N 2 0 367.494 0.176 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001226801482 1225854791 /nfs/dbraw/zinc/85/47/91/1225854791.db2.gz YMGNOTQFFGESLY-JFIYKMOQSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001227057510 1225862352 /nfs/dbraw/zinc/86/23/52/1225862352.db2.gz SPCUIRQHZKSKPW-BRWVUGGUSA-N 2 0 368.522 0.639 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001227150540 1225864906 /nfs/dbraw/zinc/86/49/06/1225864906.db2.gz UBGFULACVHECBJ-IAGOWNOFSA-N 2 0 370.538 0.886 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001055510374 1219062489 /nfs/dbraw/zinc/06/24/89/1219062489.db2.gz INEGXVLFFTUWBS-OIISXLGYSA-N 2 0 366.506 0.202 20 0 FCADRP CCO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055529123 1219069001 /nfs/dbraw/zinc/06/90/01/1219069001.db2.gz NESQFMJVBPUXHH-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP COC[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055544435 1219075021 /nfs/dbraw/zinc/07/50/21/1219075021.db2.gz UZJNAWZNTGEAJK-BFYDXBDKSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC001055578204 1219085586 /nfs/dbraw/zinc/08/55/86/1219085586.db2.gz HVTDCPNSTBFOCQ-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)/C=C\C3CC3)CC2)CC[N@@H+]1C ZINC001055583679 1219088045 /nfs/dbraw/zinc/08/80/45/1219088045.db2.gz XZPOYSLKXNEDSG-CPHMMYSSSA-N 2 0 362.518 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CC34CC4)CC2)CC[N@@H+]1C ZINC001055583459 1219088417 /nfs/dbraw/zinc/08/84/17/1219088417.db2.gz ONRGLMDOFAJEPF-OIISXLGYSA-N 2 0 362.518 0.824 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055587025 1219090337 /nfs/dbraw/zinc/09/03/37/1219090337.db2.gz NALQNAZRKJEYPJ-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000804053043 1219105933 /nfs/dbraw/zinc/10/59/33/1219105933.db2.gz IDFISEXNXPTOOC-ZACQAIPSSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059902 1219113098 /nfs/dbraw/zinc/11/30/98/1219113098.db2.gz ONKOTVHTCMTIMF-WCXIOVBPSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804059714 1219114487 /nfs/dbraw/zinc/11/44/87/1219114487.db2.gz JYZBCFNQMOUFFB-YESZJQIVSA-N 2 0 364.490 0.053 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000804062208 1219118102 /nfs/dbraw/zinc/11/81/02/1219118102.db2.gz DDXHBZTUVKRVLO-DLBZAZTESA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001227345899 1225871024 /nfs/dbraw/zinc/87/10/24/1225871024.db2.gz PGGGSVRSISVWAC-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158346 1219244893 /nfs/dbraw/zinc/24/48/93/1219244893.db2.gz GRGXXAJYBPBBDS-QYZOEREBSA-N 2 0 368.485 0.957 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227614238 1225880234 /nfs/dbraw/zinc/88/02/34/1225880234.db2.gz UOESOVFFGBYVCS-ZRUZRRJWSA-N 2 0 364.490 0.003 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1n1ccnn1 ZINC001070231784 1219309351 /nfs/dbraw/zinc/30/93/51/1219309351.db2.gz MHBGBKQDYCRUTL-CVEARBPZSA-N 2 0 352.402 0.534 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070327056 1219377251 /nfs/dbraw/zinc/37/72/51/1219377251.db2.gz PUHNBJMTHDINOB-QRVBRYPASA-N 2 0 368.485 0.814 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327172 1219377665 /nfs/dbraw/zinc/37/76/65/1219377665.db2.gz VYLGDWOYTCONLM-KSZLIROESA-N 2 0 369.473 0.475 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)c1 ZINC001070332571 1219382670 /nfs/dbraw/zinc/38/26/70/1219382670.db2.gz LHZCYJRIMGLGDC-SJORKVTESA-N 2 0 360.437 0.965 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+]1CCCCCC1 ZINC001070543158 1219460957 /nfs/dbraw/zinc/46/09/57/1219460957.db2.gz NLAWROAITOEVLS-SOLBZPMBSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070629712 1219494697 /nfs/dbraw/zinc/49/46/97/1219494697.db2.gz SHSJZKBEXKUDOG-KURKYZTESA-N 2 0 368.485 0.994 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]CCO ZINC001070720750 1219542645 /nfs/dbraw/zinc/54/26/45/1219542645.db2.gz GWKAHFWHXTWUBB-QZTJIDSGSA-N 2 0 371.485 0.672 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001070924908 1219582327 /nfs/dbraw/zinc/58/23/27/1219582327.db2.gz XWIPBVCZCJACQG-ZACQAIPSSA-N 2 0 362.474 0.598 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071061265 1219597474 /nfs/dbraw/zinc/59/74/74/1219597474.db2.gz VPWZGXJBTCCMAK-OTWHNJEPSA-N 2 0 367.534 0.942 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccn(C)c(=O)c2)C3)CC[N@@H+]1C ZINC001072752054 1219621513 /nfs/dbraw/zinc/62/15/13/1219621513.db2.gz RYGBRPCWEMEIPQ-NVXWUHKLSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cccn3)CCCO2)CC[N@@H+]1C ZINC001073605841 1219671706 /nfs/dbraw/zinc/67/17/06/1219671706.db2.gz WKPBWTWFDMOKSO-FGTMMUONSA-N 2 0 363.506 0.821 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)CCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001074696944 1219717121 /nfs/dbraw/zinc/71/71/21/1219717121.db2.gz OHVJPAZPGAXOMQ-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001228365636 1225915873 /nfs/dbraw/zinc/91/58/73/1225915873.db2.gz GNVUEQFCWZYOPC-RBSFLKMASA-N 2 0 362.478 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C2CC2)C3)CC[N@@H+]1C ZINC001098844496 1219839473 /nfs/dbraw/zinc/83/94/73/1219839473.db2.gz DERIJLHVGUTJGC-MJEZEWASSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)c1ccn2c[nH+]cc2c1 ZINC001098923716 1219865889 /nfs/dbraw/zinc/86/58/89/1219865889.db2.gz AYLMDXRSJPOPNZ-GMBSWORKSA-N 2 0 353.426 0.807 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099009487 1219887542 /nfs/dbraw/zinc/88/75/42/1219887542.db2.gz BIFNEGINKMWNIQ-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001099436908 1219995862 /nfs/dbraw/zinc/99/58/62/1219995862.db2.gz DFAXUVBGMAMNGS-OLMMMNRUSA-N 2 0 360.506 0.874 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001099526657 1220023813 /nfs/dbraw/zinc/02/38/13/1220023813.db2.gz QBVXJUUGMXGKAH-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779048 1220148416 /nfs/dbraw/zinc/14/84/16/1220148416.db2.gz HRQIQUHLPKTJSW-ZWKOTPCHSA-N 2 0 373.501 0.959 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290422 1220270901 /nfs/dbraw/zinc/27/09/01/1220270901.db2.gz PYBRHORODCSTOA-APWZRJJASA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CC1 ZINC001101341276 1220294741 /nfs/dbraw/zinc/29/47/41/1220294741.db2.gz GEKFKSWTSJRSMS-APWZRJJASA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363645 1220302267 /nfs/dbraw/zinc/30/22/67/1220302267.db2.gz ZFULMDVTAWPRIN-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369690 1220305565 /nfs/dbraw/zinc/30/55/65/1220305565.db2.gz HXWAZNMGBPQREH-MDZRGWNJSA-N 2 0 366.506 0.014 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001101389271 1220316281 /nfs/dbraw/zinc/31/62/81/1220316281.db2.gz NBULTIKOLZRGRB-MJGOQNOKSA-N 2 0 363.506 0.875 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101431209 1220339643 /nfs/dbraw/zinc/33/96/43/1220339643.db2.gz DQMINDMOQDGJPU-BEFAXECRSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431458 1220341204 /nfs/dbraw/zinc/34/12/04/1220341204.db2.gz OUUMICZMBUJNIQ-APWZRJJASA-N 2 0 362.518 0.635 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101438878 1220346030 /nfs/dbraw/zinc/34/60/30/1220346030.db2.gz ZRFPZYAFRZPPHS-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478652 1220367784 /nfs/dbraw/zinc/36/77/84/1220367784.db2.gz YTGIDVMLRYKUKI-AOIWGVFYSA-N 2 0 371.522 0.131 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982696 1220451605 /nfs/dbraw/zinc/45/16/05/1220451605.db2.gz DPPKVPKEBPEOGB-JOCBIADPSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981869 1220451717 /nfs/dbraw/zinc/45/17/17/1220451717.db2.gz WVVGEJIEKOWIJW-IXDOHACOSA-N 2 0 365.522 0.903 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048900 1220477433 /nfs/dbraw/zinc/47/74/33/1220477433.db2.gz TZSGZOPPOAFEIZ-DDUZABMNSA-N 2 0 364.490 0.160 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102086216 1220491060 /nfs/dbraw/zinc/49/10/60/1220491060.db2.gz UJJZZGWSELOCHW-HZPDHXFCSA-N 2 0 368.522 0.117 20 0 FCADRP COC(=O)c1cc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)nn1C ZINC001277350915 1225974059 /nfs/dbraw/zinc/97/40/59/1225974059.db2.gz BUQJCMXFUKTZDK-GOSISDBHSA-N 2 0 363.462 0.193 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295421 1220576929 /nfs/dbraw/zinc/57/69/29/1220576929.db2.gz JEBXKCLOJYCCGF-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320665 1220582071 /nfs/dbraw/zinc/58/20/71/1220582071.db2.gz NINXWICQTSMEKK-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375311 1220597734 /nfs/dbraw/zinc/59/77/34/1220597734.db2.gz BURSWFITENUTDZ-RBSFLKMASA-N 2 0 366.506 0.454 20 0 FCADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375717 1220599984 /nfs/dbraw/zinc/59/99/84/1220599984.db2.gz YEOLNOUQOUCYFC-ZIAGYGMSSA-N 2 0 369.510 0.104 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102378318 1220600406 /nfs/dbraw/zinc/60/04/06/1220600406.db2.gz SQAMYBBOMBDNMH-KFWWJZLASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430148 1220622337 /nfs/dbraw/zinc/62/23/37/1220622337.db2.gz GNXFVTHFGNBVQV-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454805 1220630669 /nfs/dbraw/zinc/63/06/69/1220630669.db2.gz SPSNKZXPPPOFAJ-IXDOHACOSA-N 2 0 365.522 0.903 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480035 1220647516 /nfs/dbraw/zinc/64/75/16/1220647516.db2.gz UFTFWNBMRGOZIG-OAGGEKHMSA-N 2 0 364.490 0.208 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495711 1220656783 /nfs/dbraw/zinc/65/67/83/1220656783.db2.gz ITVVSEYONHYFPY-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497180 1220658129 /nfs/dbraw/zinc/65/81/29/1220658129.db2.gz FALHLNLAVFLUHQ-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511223 1220669859 /nfs/dbraw/zinc/66/98/59/1220669859.db2.gz NUVSEOHXEQLANN-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP COc1nccc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511068 1220669880 /nfs/dbraw/zinc/66/98/80/1220669880.db2.gz HXRHQQGQKHHDPY-HUUCEWRRSA-N 2 0 365.478 0.248 20 0 FCADRP CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102514363 1220673070 /nfs/dbraw/zinc/67/30/70/1220673070.db2.gz UXMCVMZBBCOIKU-ZACQAIPSSA-N 2 0 368.522 0.258 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514148 1220673597 /nfs/dbraw/zinc/67/35/97/1220673597.db2.gz OJJKNCYAMXNDOI-IXDOHACOSA-N 2 0 370.538 0.506 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514033 1220673945 /nfs/dbraw/zinc/67/39/45/1220673945.db2.gz KAMMLLURWRVDFQ-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102523798 1220679426 /nfs/dbraw/zinc/67/94/26/1220679426.db2.gz JKTCRBLEWBBPIR-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524356 1220680687 /nfs/dbraw/zinc/68/06/87/1220680687.db2.gz BIDASIRWXUKPAM-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001229215595 1225989372 /nfs/dbraw/zinc/98/93/72/1225989372.db2.gz YJOXEVMSYRXKSI-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229212905 1225989894 /nfs/dbraw/zinc/98/98/94/1225989894.db2.gz DUWQFZLWWORSDD-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993704 1220817275 /nfs/dbraw/zinc/81/72/75/1220817275.db2.gz FORQEBHTALVTTO-NXHRZFHOSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103087226 1220831171 /nfs/dbraw/zinc/83/11/71/1220831171.db2.gz CFYGGVXXGWTCDS-ZTFGCOKTSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103111814 1220835375 /nfs/dbraw/zinc/83/53/75/1220835375.db2.gz PNIQDLPECCVVGL-FMKPAKJESA-N 2 0 366.510 0.269 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185799 1220847808 /nfs/dbraw/zinc/84/78/08/1220847808.db2.gz QYFYFXKMYMFLIQ-HZPDHXFCSA-N 2 0 362.518 0.968 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103217365 1220852737 /nfs/dbraw/zinc/85/27/37/1220852737.db2.gz CVMSAJPGYCWUAM-HUUCEWRRSA-N 2 0 370.457 0.701 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1occc1C[NH+](C)C ZINC001103373081 1220872524 /nfs/dbraw/zinc/87/25/24/1220872524.db2.gz BMMCDJSESMOEGH-IIAWOOMASA-N 2 0 362.474 0.918 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378598 1220873447 /nfs/dbraw/zinc/87/34/47/1220873447.db2.gz AAFSYHFUZSFCKB-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398514 1220876872 /nfs/dbraw/zinc/87/68/72/1220876872.db2.gz WHDRIGBYDKJETK-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103550356 1220899209 /nfs/dbraw/zinc/89/92/09/1220899209.db2.gz LWZLXIDSKHXLGG-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103643796 1220925879 /nfs/dbraw/zinc/92/58/79/1220925879.db2.gz QOTCHOWOLHNGLH-QLFBSQMISA-N 2 0 364.494 0.024 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648809 1220927427 /nfs/dbraw/zinc/92/74/27/1220927427.db2.gz KGNKFSHWRFZBAS-QLFBSQMISA-N 2 0 361.490 0.970 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655833 1220931462 /nfs/dbraw/zinc/93/14/62/1220931462.db2.gz DLUKSOCWINUHFU-RBSFLKMASA-N 2 0 369.510 0.376 20 0 FCADRP Cn1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)COC2CC[NH+](C)CC2)n1 ZINC001229354021 1226005461 /nfs/dbraw/zinc/00/54/61/1226005461.db2.gz DDNSEYPCJMGYFA-IAGOWNOFSA-N 2 0 364.494 0.443 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755342 1220966029 /nfs/dbraw/zinc/96/60/29/1220966029.db2.gz CVBHVEQOVFFHSQ-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000011 1220996831 /nfs/dbraw/zinc/99/68/31/1220996831.db2.gz SCYRCCLYDYMHGB-BZUAXINKSA-N 2 0 363.510 0.922 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999556 1220996993 /nfs/dbraw/zinc/99/69/93/1220996993.db2.gz CNEAOHQYOMWBJK-BRWVUGGUSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104202597 1221020878 /nfs/dbraw/zinc/02/08/78/1221020878.db2.gz HSAOUAQEWKAODC-KBAYOESNSA-N 2 0 360.506 0.694 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CCOCC1)C2 ZINC001111861279 1221140533 /nfs/dbraw/zinc/14/05/33/1221140533.db2.gz FJBNVJFYYDFVME-KXBFYZLASA-N 2 0 366.506 0.204 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916811 1221167098 /nfs/dbraw/zinc/16/70/98/1221167098.db2.gz GJRXCPMKJXMQCY-DOXZYTNZSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCNC(C)=O)C2 ZINC001111927892 1221173817 /nfs/dbraw/zinc/17/38/17/1221173817.db2.gz UCLYHNNTUVDZJN-HKUYNNGSSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001111938235 1221178725 /nfs/dbraw/zinc/17/87/25/1221178725.db2.gz RVCIDHXRCUKZIB-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938091 1221178918 /nfs/dbraw/zinc/17/89/18/1221178918.db2.gz KQXQHFFSUYDKRE-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938111 1221179020 /nfs/dbraw/zinc/17/90/20/1221179020.db2.gz LTSMUTOSRWRNKP-FTRWYGJKSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000782953958 1221200254 /nfs/dbraw/zinc/20/02/54/1221200254.db2.gz PMNKJEFVRQZBMF-QFBILLFUSA-N 2 0 359.474 0.618 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1 ZINC001112285334 1221230679 /nfs/dbraw/zinc/23/06/79/1221230679.db2.gz TWTXSEAWUNHGSI-QKLQHJQFSA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001112360721 1221245589 /nfs/dbraw/zinc/24/55/89/1221245589.db2.gz GUUMQODYIBWOJZ-GNBUJSLZSA-N 2 0 367.534 0.944 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001112396781 1221252277 /nfs/dbraw/zinc/25/22/77/1221252277.db2.gz DOCJURTWWKJMSX-KXBFYZLASA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C(N)=O ZINC001112424449 1221257215 /nfs/dbraw/zinc/25/72/15/1221257215.db2.gz ZURZHDQNGLEGIA-GUXCAODWSA-N 2 0 362.518 0.955 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001229715973 1226030325 /nfs/dbraw/zinc/03/03/25/1226030325.db2.gz DTGADRXJNKEEAO-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229717314 1226030543 /nfs/dbraw/zinc/03/05/43/1226030543.db2.gz QPNGCQQKFWLOCA-HZPDHXFCSA-N 2 0 365.478 0.580 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717626 1226030759 /nfs/dbraw/zinc/03/07/59/1226030759.db2.gz UOKUCLHVMLQPJE-IAGOWNOFSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H](C)N1C[C@H](O)C[NH+]1CCCC1 ZINC000799168893 1221304388 /nfs/dbraw/zinc/30/43/88/1221304388.db2.gz YPKJQFFUNAOZST-IYWMVGAKSA-N 2 0 368.566 0.294 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808536 1226035481 /nfs/dbraw/zinc/03/54/81/1226035481.db2.gz UMVIELQMGPGGLP-RBSFLKMASA-N 2 0 369.510 0.579 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1C ZINC001230149304 1226058417 /nfs/dbraw/zinc/05/84/17/1226058417.db2.gz CYIUQTZZJMJGIG-KBAYOESNSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001230263103 1226070050 /nfs/dbraw/zinc/07/00/50/1226070050.db2.gz HKKAXYSDGWSCJM-RRFJBIMHSA-N 2 0 367.494 0.463 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC001118546643 1221799084 /nfs/dbraw/zinc/79/90/84/1221799084.db2.gz QDZDOTZBPNCVQM-UHFFFAOYSA-N 2 0 373.501 0.442 20 0 FCADRP CC[C@H]1COCCN1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119145398 1221877673 /nfs/dbraw/zinc/87/76/73/1221877673.db2.gz VJCAOIFHTAKMLZ-WMZOPIPTSA-N 2 0 368.522 0.897 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001119298108 1221898177 /nfs/dbraw/zinc/89/81/77/1221898177.db2.gz XBYNBXSWEMRHFO-GFCCVEGCSA-N 2 0 372.420 0.544 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119424825 1221915769 /nfs/dbraw/zinc/91/57/69/1221915769.db2.gz LHAUXQYGUDJFNP-MSOLQXFVSA-N 2 0 369.554 0.798 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119423648 1221916170 /nfs/dbraw/zinc/91/61/70/1221916170.db2.gz BBTOILXRIYWXLV-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001119528337 1221928416 /nfs/dbraw/zinc/92/84/16/1221928416.db2.gz ZXZIQSSWTGMAPL-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119635880 1221942959 /nfs/dbraw/zinc/94/29/59/1221942959.db2.gz FDVKINZHQHPGAR-CQSZACIVSA-N 2 0 358.442 0.409 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCN1C ZINC001119809966 1221976311 /nfs/dbraw/zinc/97/63/11/1221976311.db2.gz IDRBLYMGTURSIX-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCCO1 ZINC001120557095 1222103721 /nfs/dbraw/zinc/10/37/21/1222103721.db2.gz DWKCMIUSDDNDSI-GOSISDBHSA-N 2 0 361.490 0.351 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001120583030 1222106613 /nfs/dbraw/zinc/10/66/13/1222106613.db2.gz MLVKUSONMWXDBJ-LJQANCHMSA-N 2 0 358.490 0.871 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C[NH3+])C1 ZINC001120674314 1222113922 /nfs/dbraw/zinc/11/39/22/1222113922.db2.gz IAUQVQMVTKGPOJ-OGWOLHLISA-N 2 0 359.474 0.527 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC001121917539 1222223543 /nfs/dbraw/zinc/22/35/43/1222223543.db2.gz VPSITGGGZFGSQT-SFHVURJKSA-N 2 0 362.474 0.526 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)cc2)CC1 ZINC001121925934 1222224920 /nfs/dbraw/zinc/22/49/20/1222224920.db2.gz GRUHHJKBSMHKTE-KRWDZBQOSA-N 2 0 359.474 0.574 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001123637556 1222346466 /nfs/dbraw/zinc/34/64/66/1222346466.db2.gz VXKYFGAMDRFBSQ-FCGDIQPGSA-N 2 0 363.550 0.392 20 0 FCADRP C[C@@H](CCN1CC[C@@H]2COC(=O)N[C@H]2C1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920743 1222485936 /nfs/dbraw/zinc/48/59/36/1222485936.db2.gz DAOOTJOAVAGZAE-OTJKEOIZSA-N 2 0 366.462 0.626 20 0 FCADRP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001139095776 1222540915 /nfs/dbraw/zinc/54/09/15/1222540915.db2.gz BYTKUMCXWYOHDP-UHFFFAOYSA-N 2 0 362.522 0.697 20 0 FCADRP COc1ccncc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001139610424 1222554147 /nfs/dbraw/zinc/55/41/47/1222554147.db2.gz GNJICXBUZMWGFW-CRAIPNDOSA-N 2 0 362.474 0.701 20 0 FCADRP Cc1nc(N)ccc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001232339512 1226147483 /nfs/dbraw/zinc/14/74/83/1226147483.db2.gz YXRRVXZSCMAPPH-UHFFFAOYSA-N 2 0 374.533 0.642 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C[NH+](C)C ZINC000839483693 1222741452 /nfs/dbraw/zinc/74/14/52/1222741452.db2.gz FIDQGPGAVRFBER-MSOLQXFVSA-N 2 0 374.485 0.975 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000841150573 1222810101 /nfs/dbraw/zinc/81/01/01/1222810101.db2.gz DPLLBHQEZYMFFP-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841184124 1222812243 /nfs/dbraw/zinc/81/22/43/1222812243.db2.gz FNGSYHUXHQLGGM-KRWDZBQOSA-N 2 0 361.490 0.867 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000841200538 1222813370 /nfs/dbraw/zinc/81/33/70/1222813370.db2.gz OXLQVEINHNFITN-HZPDHXFCSA-N 2 0 373.501 0.963 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000841213150 1222813780 /nfs/dbraw/zinc/81/37/80/1222813780.db2.gz VRPXPVLRLQPICE-FQEVSTJZSA-N 2 0 373.501 0.883 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000841259948 1222816825 /nfs/dbraw/zinc/81/68/25/1222816825.db2.gz ZIBCABZOHOOLNT-UHFFFAOYSA-N 2 0 359.474 0.715 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000841726262 1222828377 /nfs/dbraw/zinc/82/83/77/1222828377.db2.gz QTFSZDGBBVFKGO-DLBZAZTESA-N 2 0 365.522 0.714 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000841726273 1222828435 /nfs/dbraw/zinc/82/84/35/1222828435.db2.gz QTFSZDGBBVFKGO-SJORKVTESA-N 2 0 365.522 0.714 20 0 FCADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000842088251 1222835477 /nfs/dbraw/zinc/83/54/77/1222835477.db2.gz MRRKWKJDQLMTSS-CALCHBBNSA-N 2 0 362.518 0.825 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000842147870 1222837465 /nfs/dbraw/zinc/83/74/65/1222837465.db2.gz MSVLZZGPMGQYDD-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191009 1222839876 /nfs/dbraw/zinc/83/98/76/1222839876.db2.gz VUDYNCJNFIEOIX-XLIONFOSSA-N 2 0 358.486 0.883 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000842230984 1222843321 /nfs/dbraw/zinc/84/33/21/1222843321.db2.gz MDDLTUFNFPUING-UHFFFAOYSA-N 2 0 367.453 0.548 20 0 FCADRP C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000842478778 1222848023 /nfs/dbraw/zinc/84/80/23/1222848023.db2.gz PBXZVWMUUFHQSP-KGLIPLIRSA-N 2 0 365.478 0.579 20 0 FCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000842475710 1222848064 /nfs/dbraw/zinc/84/80/64/1222848064.db2.gz BDOIJBLKWBMEDS-CYBMUJFWSA-N 2 0 365.478 0.640 20 0 FCADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000843057866 1222858341 /nfs/dbraw/zinc/85/83/41/1222858341.db2.gz NAALLSBNBJYCAJ-FUHWJXTLSA-N 2 0 374.485 0.631 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843206686 1222860549 /nfs/dbraw/zinc/86/05/49/1222860549.db2.gz DIDMXGMZSDFVTE-HNNXBMFYSA-N 2 0 358.446 0.804 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000843258328 1222867391 /nfs/dbraw/zinc/86/73/91/1222867391.db2.gz DJIHHWZVQKSVIO-UHFFFAOYSA-N 2 0 361.490 0.798 20 0 FCADRP CN1CC[NH+](CCC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001143223434 1222870826 /nfs/dbraw/zinc/87/08/26/1222870826.db2.gz CWGJHTGQBUTXGX-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346685 1222870963 /nfs/dbraw/zinc/87/09/63/1222870963.db2.gz GTDCQBOHIQTNSW-NEPJUHHUSA-N 2 0 374.445 0.382 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001153464881 1222976490 /nfs/dbraw/zinc/97/64/90/1222976490.db2.gz ZDQVGSXKZCLSHT-OWCLPIDISA-N 2 0 366.506 0.692 20 0 FCADRP c1ccc(N2CCN(C3CN(c4ncnc5c4CC[NH2+]CC5)C3)CC2)nc1 ZINC001154637301 1223013787 /nfs/dbraw/zinc/01/37/87/1223013787.db2.gz AVGFMADFGUQLIK-UHFFFAOYSA-N 2 0 365.485 0.571 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081926 1223067267 /nfs/dbraw/zinc/06/72/67/1223067267.db2.gz FXQFKAZVZSINDU-QIIPPGSGSA-N 2 0 364.446 0.549 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001157336360 1223074583 /nfs/dbraw/zinc/07/45/83/1223074583.db2.gz NVLJVRQZEITWSX-OXFYSEKESA-N 2 0 373.501 0.072 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N1CCCC1 ZINC001157370455 1223075003 /nfs/dbraw/zinc/07/50/03/1223075003.db2.gz BSQAXYVKMGZPTA-HOTGVXAUSA-N 2 0 366.506 0.381 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N1CCCC1 ZINC001157370456 1223075119 /nfs/dbraw/zinc/07/51/19/1223075119.db2.gz BSQAXYVKMGZPTA-JKSUJKDBSA-N 2 0 366.506 0.381 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)CC1 ZINC001157449136 1223076883 /nfs/dbraw/zinc/07/68/83/1223076883.db2.gz SUNWAYHJCGJYJQ-ZDUSSCGKSA-N 2 0 371.478 0.579 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2noc3ccccc32)CC1 ZINC001157519448 1223077819 /nfs/dbraw/zinc/07/78/19/1223077819.db2.gz TYHKEBTWVZEYNU-INIZCTEOSA-N 2 0 372.473 0.227 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@H]1F ZINC001157544678 1223078763 /nfs/dbraw/zinc/07/87/63/1223078763.db2.gz HKDZZBVTQUIZMA-FTEYMNFISA-N 3 0 360.477 0.996 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935113 1223084197 /nfs/dbraw/zinc/08/41/97/1223084197.db2.gz RNGCLNCGFFVYSI-MPGHIAIKSA-N 2 0 372.485 0.147 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)COC1(C)C ZINC001157971440 1223085439 /nfs/dbraw/zinc/08/54/39/1223085439.db2.gz YERKPBIVSSRMKN-BPUTZDHNSA-N 2 0 360.458 0.470 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091312 1223088499 /nfs/dbraw/zinc/08/84/99/1223088499.db2.gz AEGSPPYXBQGOPR-BBRMVZONSA-N 2 0 370.375 0.266 20 0 FCADRP O=C([C@H]1CC2(CC[NH2+]CC2)c2ccccc21)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091914 1223088705 /nfs/dbraw/zinc/08/87/05/1223088705.db2.gz KAWCNSGKCHMNPO-KKSFZXQISA-N 2 0 368.481 0.486 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158130764 1223089607 /nfs/dbraw/zinc/08/96/07/1223089607.db2.gz FLWKIBPROQRJSE-KRWDZBQOSA-N 2 0 374.485 0.391 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC001158118550 1223089823 /nfs/dbraw/zinc/08/98/23/1223089823.db2.gz AGYNGWDUALHLPK-QJFYMDMMSA-N 2 0 372.513 0.468 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138386 1223089870 /nfs/dbraw/zinc/08/98/70/1223089870.db2.gz UATONZBIHNCEHI-OTWHNJEPSA-N 2 0 373.497 0.897 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159793 1223090123 /nfs/dbraw/zinc/09/01/23/1223090123.db2.gz CFTJXGOASBSDGA-KSSFIOAISA-N 2 0 360.462 0.059 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158143622 1223090301 /nfs/dbraw/zinc/09/03/01/1223090301.db2.gz XSNFIDDCHRFTNF-FHWLQOOXSA-N 2 0 372.513 0.863 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160909 1223090364 /nfs/dbraw/zinc/09/03/64/1223090364.db2.gz LOGXLMXSSBVEMJ-TXPKVOOTSA-N 3 0 365.522 0.178 20 0 FCADRP Cc1ccc([C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)N2CCC([NH3+])CC2)cc1 ZINC001158180476 1223090575 /nfs/dbraw/zinc/09/05/75/1223090575.db2.gz XGNFQNJQAZWTLY-RLLQIKCJSA-N 2 0 372.513 0.906 20 0 FCADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001158180510 1223090682 /nfs/dbraw/zinc/09/06/82/1223090682.db2.gz YIZXTRIGXJKELH-YNVMFWSZSA-N 2 0 356.470 0.159 20 0 FCADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001158250379 1223091937 /nfs/dbraw/zinc/09/19/37/1223091937.db2.gz YQSJDFIEAPPSAI-HZPDHXFCSA-N 2 0 361.490 0.774 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306803 1223094587 /nfs/dbraw/zinc/09/45/87/1223094587.db2.gz XGACFXZIEFYCFQ-VBNZEHGJSA-N 2 0 357.410 0.579 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)COC1(C)C ZINC001158335465 1223094896 /nfs/dbraw/zinc/09/48/96/1223094896.db2.gz UNJUGAYJJYOCHS-SJWGOKEGSA-N 2 0 372.469 0.395 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380349 1223095958 /nfs/dbraw/zinc/09/59/58/1223095958.db2.gz QMVXRRJLGQCITA-RRFJBIMHSA-N 2 0 369.510 0.293 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1C ZINC001158404173 1223096917 /nfs/dbraw/zinc/09/69/17/1223096917.db2.gz RJXXFUHYEXSZSO-QLFBSQMISA-N 2 0 362.478 0.630 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC(C)C)CC[N@@H+]1C ZINC001158412613 1223097172 /nfs/dbraw/zinc/09/71/72/1223097172.db2.gz RHXVDTVVQYEKPO-DLBZAZTESA-N 2 0 370.538 0.744 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158466794 1223099495 /nfs/dbraw/zinc/09/94/95/1223099495.db2.gz AVGKBWYSUSYHKJ-HZMTTXTESA-N 2 0 361.486 0.623 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535946 1223101668 /nfs/dbraw/zinc/10/16/68/1223101668.db2.gz ZQWKNPDSDQGHPN-GTACMHHNSA-N 2 0 355.442 0.412 20 0 FCADRP O=C(c1cccnc1O[C@@H]1CC[NH2+]C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544263 1223101747 /nfs/dbraw/zinc/10/17/47/1223101747.db2.gz CDRMJCMTTFZKGB-DEXNDLTESA-N 2 0 358.442 0.415 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533818 1223101809 /nfs/dbraw/zinc/10/18/09/1223101809.db2.gz QEJIVNVWSQNBJN-NEYJZJCJSA-N 2 0 372.513 0.862 20 0 FCADRP O=C([C@@H](c1ccco1)N1CCC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533282 1223101921 /nfs/dbraw/zinc/10/19/21/1223101921.db2.gz JRAQPTBETBHIPL-QQTQMKHKSA-N 2 0 374.485 0.595 20 0 FCADRP NC1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901869 1223112011 /nfs/dbraw/zinc/11/20/11/1223112011.db2.gz ILKAUARLVCTBQG-GUYCJALGSA-N 2 0 363.437 0.156 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001158905508 1223112731 /nfs/dbraw/zinc/11/27/31/1223112731.db2.gz XQMXHMIOIHXVQV-SLBVQIDZSA-N 2 0 361.446 0.092 20 0 FCADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159116225 1223117828 /nfs/dbraw/zinc/11/78/28/1223117828.db2.gz JBGCCUWBTLSFGE-IRXDYDNUSA-N 2 0 361.490 0.197 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159210089 1223120794 /nfs/dbraw/zinc/12/07/94/1223120794.db2.gz CEEBYWOSACCDNL-BSDSXHPESA-N 2 0 362.474 0.813 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235704 1223121507 /nfs/dbraw/zinc/12/15/07/1223121507.db2.gz CYBYMRQWLCXDQR-UHFFFAOYSA-N 2 0 366.469 0.957 20 0 FCADRP CC[C@@H]1N(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159277430 1223122741 /nfs/dbraw/zinc/12/27/41/1223122741.db2.gz TXUPJFGCVFXGGO-BXWFABGCSA-N 2 0 368.522 0.851 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159343148 1223125238 /nfs/dbraw/zinc/12/52/38/1223125238.db2.gz OCGRLVODURHONR-JGFGOLAASA-N 2 0 367.494 0.750 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388387 1223125812 /nfs/dbraw/zinc/12/58/12/1223125812.db2.gz NPOQJRHHGQCQHW-HNNXBMFYSA-N 2 0 372.477 0.474 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC001159535298 1223129240 /nfs/dbraw/zinc/12/92/40/1223129240.db2.gz VUKYMACDEHXHKL-QYZOEREBSA-N 2 0 374.533 0.488 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC[C@@H]21 ZINC001159533404 1223129246 /nfs/dbraw/zinc/12/92/46/1223129246.db2.gz FPULTDPGDAYANX-FPSMNIFISA-N 2 0 360.506 0.272 20 0 FCADRP O=C(N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159595309 1223130339 /nfs/dbraw/zinc/13/03/39/1223130339.db2.gz SGBGAQSTWAXGKQ-QTQZEZTPSA-N 2 0 368.481 0.982 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667139 1223132897 /nfs/dbraw/zinc/13/28/97/1223132897.db2.gz SUXGMRIIRUDJKO-RBUKOAKNSA-N 2 0 373.501 0.225 20 0 FCADRP C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159695939 1223133768 /nfs/dbraw/zinc/13/37/68/1223133768.db2.gz HGFZZDMCEJDDOC-BBRMVZONSA-N 2 0 359.474 0.522 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696132 1223134219 /nfs/dbraw/zinc/13/42/19/1223134219.db2.gz COCFJEOSPFJJRR-ROUUACIJSA-N 2 0 370.497 0.836 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)C1CC[NH2+]CC1 ZINC001159699319 1223134615 /nfs/dbraw/zinc/13/46/15/1223134615.db2.gz OSGVMMCWSFLEFS-XZKMEQPCSA-N 2 0 374.485 0.793 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001159841094 1223137762 /nfs/dbraw/zinc/13/77/62/1223137762.db2.gz GZHBXRRTUGTIKK-BVBHFADKSA-N 2 0 364.534 0.791 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855100 1223137888 /nfs/dbraw/zinc/13/78/88/1223137888.db2.gz HVEZSWAFSQVUMG-NJAFHUGGSA-N 2 0 364.465 0.946 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887478 1223138819 /nfs/dbraw/zinc/13/88/19/1223138819.db2.gz WEZJHYYRNTUCDY-HKUYNNGSSA-N 2 0 374.489 0.001 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001159929307 1223139759 /nfs/dbraw/zinc/13/97/59/1223139759.db2.gz BOPTZVIUIVCSDK-ZCNNSNEGSA-N 2 0 356.514 0.966 20 0 FCADRP [NH3+][C@@H](C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1)C1CC[NH2+]CC1 ZINC001160050650 1223143476 /nfs/dbraw/zinc/14/34/76/1223143476.db2.gz ZHLJLBLFEOXJLP-QWFCFKBJSA-N 2 0 374.485 0.400 20 0 FCADRP N[C@]1(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCC[NH2+]C1 ZINC001160053544 1223143570 /nfs/dbraw/zinc/14/35/70/1223143570.db2.gz SCQZYHBGSPTRIY-HXUWFJFHSA-N 2 0 357.502 0.977 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110616 1223146073 /nfs/dbraw/zinc/14/60/73/1223146073.db2.gz NODCASASTRJHIX-SJORKVTESA-N 2 0 371.485 0.373 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171536 1223147117 /nfs/dbraw/zinc/14/71/17/1223147117.db2.gz NTLQKTOSRIRQAM-KDOFPFPSSA-N 2 0 366.469 0.827 20 0 FCADRP Cc1ccc(N(C(=O)C[C@@H](O)C[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160165397 1223147444 /nfs/dbraw/zinc/14/74/44/1223147444.db2.gz OBNOSHDGTBHPBV-OAHLLOKOSA-N 2 0 355.442 0.848 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157435 1223147525 /nfs/dbraw/zinc/14/75/25/1223147525.db2.gz VTAHRXQMYNNOBC-OWCLPIDISA-N 2 0 367.490 0.757 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160359023 1223156687 /nfs/dbraw/zinc/15/66/87/1223156687.db2.gz WLHBNMNZIGEYIG-SFHVURJKSA-N 2 0 364.446 0.052 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]21 ZINC001160423941 1223159086 /nfs/dbraw/zinc/15/90/86/1223159086.db2.gz NYOXWQZPBUEWJS-SJQORLFUSA-N 2 0 358.486 0.721 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001160422406 1223159214 /nfs/dbraw/zinc/15/92/14/1223159214.db2.gz FQOCRJTXPDMJSR-DBDQLMEASA-N 2 0 358.486 0.863 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160507447 1223163587 /nfs/dbraw/zinc/16/35/87/1223163587.db2.gz ZSUSBUNAOUZQOO-JKSUJKDBSA-N 2 0 364.490 0.101 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160539022 1223164027 /nfs/dbraw/zinc/16/40/27/1223164027.db2.gz NLSAACOSARGSRR-KRWDZBQOSA-N 2 0 374.489 0.113 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566541 1223164560 /nfs/dbraw/zinc/16/45/60/1223164560.db2.gz RSEFOTSADPMKIP-KRWDZBQOSA-N 2 0 358.490 0.924 20 0 FCADRP O=C(N1c2ccccc2C(=O)NC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160584252 1223165574 /nfs/dbraw/zinc/16/55/74/1223165574.db2.gz AVKYYURAWVTFCM-AUUYWEPGSA-N 3 0 369.469 0.042 20 0 FCADRP [NH3+][C@H]1CCN([C@@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c2cc3ccccc3o2)C1 ZINC001160656283 1223167788 /nfs/dbraw/zinc/16/77/88/1223167788.db2.gz UUHHVCRWYIGBIF-LUXYFRNMSA-N 2 0 358.442 0.427 20 0 FCADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001160697775 1223168415 /nfs/dbraw/zinc/16/84/15/1223168415.db2.gz CSSZMGDOERUNMO-BBRMVZONSA-N 2 0 358.446 0.462 20 0 FCADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001160694389 1223168664 /nfs/dbraw/zinc/16/86/64/1223168664.db2.gz AVKMHSWDPXYGOH-CVEARBPZSA-N 2 0 361.490 0.767 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)C1=O ZINC001160698488 1223168892 /nfs/dbraw/zinc/16/88/92/1223168892.db2.gz KSHHCGCNLYXZFP-INIZCTEOSA-N 2 0 356.470 0.994 20 0 FCADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779712 1223171756 /nfs/dbraw/zinc/17/17/56/1223171756.db2.gz LAVIQTXZPPFCOS-MDYRTPRTSA-N 2 0 351.454 0.602 20 0 FCADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2 ZINC001160805477 1223174832 /nfs/dbraw/zinc/17/48/32/1223174832.db2.gz DDAVISANOGRJDH-AWEZNQCLSA-N 2 0 365.478 0.504 20 0 FCADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001160824541 1223175773 /nfs/dbraw/zinc/17/57/73/1223175773.db2.gz OTQBOYUKOMQUTH-GFCCVEGCSA-N 2 0 362.430 0.610 20 0 FCADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160825132 1223176203 /nfs/dbraw/zinc/17/62/03/1223176203.db2.gz VSFVUQHEYFSZPX-DZGCQCFKSA-N 2 0 361.446 0.273 20 0 FCADRP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161245002 1223192068 /nfs/dbraw/zinc/19/20/68/1223192068.db2.gz AHLHLEBFCGTCBQ-INIZCTEOSA-N 2 0 357.458 0.608 20 0 FCADRP O=C(NC1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1cccc(F)c1 ZINC001161253108 1223192956 /nfs/dbraw/zinc/19/29/56/1223192956.db2.gz RTOYFUCWTUOZKB-MRXNPFEDSA-N 2 0 360.433 0.356 20 0 FCADRP COc1cc(C)nc(N(C(=O)CNC2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161308551 1223195291 /nfs/dbraw/zinc/19/52/91/1223195291.db2.gz CXOHHXFVZMNGNG-UHFFFAOYSA-N 2 0 362.478 0.220 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321323 1223195648 /nfs/dbraw/zinc/19/56/48/1223195648.db2.gz CURFSBSGNWNHFC-JKQORVJESA-N 2 0 366.506 0.602 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371161 1223197142 /nfs/dbraw/zinc/19/71/42/1223197142.db2.gz BGTIWXUFSBMNPW-IRXDYDNUSA-N 2 0 372.517 0.158 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386832 1223197841 /nfs/dbraw/zinc/19/78/41/1223197841.db2.gz MJEOCYMSRIABOC-HNNXBMFYSA-N 2 0 365.453 0.795 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)NC4CC[NH2+]CC4)cc3)C[C@H]12 ZINC001161416608 1223198409 /nfs/dbraw/zinc/19/84/09/1223198409.db2.gz JIBAETZMUBHQTK-BPQIPLTHSA-N 2 0 356.470 0.978 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412952 1223198436 /nfs/dbraw/zinc/19/84/36/1223198436.db2.gz MYFKBUQNDMRPAD-OTJKEOIZSA-N 2 0 366.506 0.316 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC001161412111 1223198516 /nfs/dbraw/zinc/19/85/16/1223198516.db2.gz GCEMMXHCJDGIBE-UQCMEYCASA-N 2 0 371.437 0.867 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C(=O)NC4CC[NH2+]CC4)cc3)C[C@@H]12 ZINC001161416610 1223198687 /nfs/dbraw/zinc/19/86/87/1223198687.db2.gz JIBAETZMUBHQTK-CGTJXYLNSA-N 2 0 356.470 0.978 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccc(CN2CC[NH2+]CC2)c1)[C@H]1CCC[NH2+]C1 ZINC001161448753 1223199598 /nfs/dbraw/zinc/19/95/98/1223199598.db2.gz HFSPTHKKELADHQ-FQEVSTJZSA-N 3 0 373.545 0.848 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444899 1223199742 /nfs/dbraw/zinc/19/97/42/1223199742.db2.gz LWLNOXUMGLOJGU-CVEARBPZSA-N 3 0 370.538 0.968 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001161480928 1223200820 /nfs/dbraw/zinc/20/08/20/1223200820.db2.gz VVBLPKKVXAERGZ-PXNSSMCTSA-N 2 0 357.454 0.628 20 0 FCADRP COC(=O)c1cccc([C@@H]2CCCN2C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001161488112 1223201883 /nfs/dbraw/zinc/20/18/83/1223201883.db2.gz AOYJEGZFGCYXFH-ROUUACIJSA-N 2 0 374.485 0.887 20 0 FCADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582748 1223204630 /nfs/dbraw/zinc/20/46/30/1223204630.db2.gz PPELHPOZQUEDIK-KRWDZBQOSA-N 2 0 354.454 0.128 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161586008 1223204638 /nfs/dbraw/zinc/20/46/38/1223204638.db2.gz APGPXFZGRZWFSH-IBGZPJMESA-N 3 0 371.529 0.400 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)CCN3C(=O)CCC3=O)CC2)CC1 ZINC001162185078 1223211560 /nfs/dbraw/zinc/21/15/60/1223211560.db2.gz LZEIQNOEJVKHFR-UHFFFAOYSA-N 2 0 364.490 0.544 20 0 FCADRP Cn1cnc2c1nc(NCCC[NH2+]CCCC[NH3+])nc2N1CCOCC1 ZINC001162290400 1223213632 /nfs/dbraw/zinc/21/36/32/1223213632.db2.gz RXRONBUPWJEPBU-UHFFFAOYSA-N 2 0 362.482 0.330 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001162291933 1223213668 /nfs/dbraw/zinc/21/36/68/1223213668.db2.gz JNZUHWFWSGAIEF-UHFFFAOYSA-N 2 0 362.526 0.624 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316123 1223229278 /nfs/dbraw/zinc/22/92/78/1223229278.db2.gz OPPZGNGERFEVNT-BEFAXECRSA-N 2 0 374.489 0.624 20 0 FCADRP CCOC(=O)c1cn(-c2ccc(OCC3CC[NH2+]CC3)nn2)nc1C[NH3+] ZINC001163522988 1223232141 /nfs/dbraw/zinc/23/21/41/1223232141.db2.gz WXBVTLFEIZGGFP-UHFFFAOYSA-N 2 0 360.418 0.676 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164583276 1223240332 /nfs/dbraw/zinc/24/03/32/1223240332.db2.gz WNVMGEHTCKNGNV-NVXWUHKLSA-N 2 0 368.522 0.355 20 0 FCADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001165311164 1223244411 /nfs/dbraw/zinc/24/44/11/1223244411.db2.gz CBTFSWJELWTCQG-UHFFFAOYSA-N 2 0 355.446 0.609 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2ncc3c(n2)C[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937128 1223262400 /nfs/dbraw/zinc/26/24/00/1223262400.db2.gz JMVDGLKHSRDOGV-LLVKDONJSA-N 2 0 353.430 0.536 20 0 FCADRP C[NH+](C)CCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205211546 1223317240 /nfs/dbraw/zinc/31/72/40/1223317240.db2.gz HEXQQJXWTILPRN-RTBURBONSA-N 2 0 363.502 0.785 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205507604 1223328758 /nfs/dbraw/zinc/32/87/58/1223328758.db2.gz FLQPJEDPAMCAIM-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001205510864 1223329318 /nfs/dbraw/zinc/32/93/18/1223329318.db2.gz LAJRQBNJICOPHN-IXDOHACOSA-N 2 0 365.518 0.648 20 0 FCADRP COCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519664 1223330449 /nfs/dbraw/zinc/33/04/49/1223330449.db2.gz ZPTMTSNQOTUHBT-FGTMMUONSA-N 2 0 365.518 0.914 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205647668 1223333957 /nfs/dbraw/zinc/33/39/57/1223333957.db2.gz CHQRDVBSOZZFFL-DOTOQJQBSA-N 2 0 364.465 0.750 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648762 1223334158 /nfs/dbraw/zinc/33/41/58/1223334158.db2.gz RLLMHIPGTMOPOO-UKPHBRMFSA-N 2 0 364.465 0.796 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1F ZINC001205678538 1223334550 /nfs/dbraw/zinc/33/45/50/1223334550.db2.gz LKCSSTUMKYRZIE-DOTOQJQBSA-N 2 0 362.449 0.552 20 0 FCADRP COc1cnccc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206457959 1223359337 /nfs/dbraw/zinc/35/93/37/1223359337.db2.gz FSIYZSKSZVKBOB-SJLPKXTDSA-N 2 0 362.474 0.701 20 0 FCADRP Cc1nccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001207164746 1223423110 /nfs/dbraw/zinc/42/31/10/1223423110.db2.gz NLZJKHBBBRAPIC-UHFFFAOYSA-N 2 0 360.506 0.455 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C[C@@H]21)c1ccnnc1 ZINC001207437415 1223446758 /nfs/dbraw/zinc/44/67/58/1223446758.db2.gz WMONWKFKVRXVET-OKZBNKHCSA-N 2 0 359.474 0.543 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432186 1223545533 /nfs/dbraw/zinc/54/55/33/1223545533.db2.gz OXIIXXIPEQUOCD-HUUCEWRRSA-N 2 0 367.538 0.862 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208563210 1223556056 /nfs/dbraw/zinc/55/60/56/1223556056.db2.gz GYUOHBFJYDMKEH-BZUAXINKSA-N 2 0 366.506 0.692 20 0 FCADRP CC[NH+]1CCC(CN2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)CC1 ZINC001208596748 1223560755 /nfs/dbraw/zinc/56/07/55/1223560755.db2.gz XSZYCRTURZNTCQ-QGZVFWFLSA-N 2 0 363.506 0.809 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612061 1223563549 /nfs/dbraw/zinc/56/35/49/1223563549.db2.gz DUZMUOAUMCMKJH-DSLXNQLJSA-N 2 0 373.501 0.885 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613365 1223563659 /nfs/dbraw/zinc/56/36/59/1223563659.db2.gz MWHSCRGHSAXSIB-VUHPKUFZSA-N 2 0 373.501 0.885 20 0 FCADRP CNC(=O)[C@]12C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612402 1223563729 /nfs/dbraw/zinc/56/37/29/1223563729.db2.gz HPRWLRUPNXQGOQ-MBOZVWFJSA-N 2 0 372.517 0.835 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208611468 1223564080 /nfs/dbraw/zinc/56/40/80/1223564080.db2.gz DJMFLYQLQOLYLQ-SFHVURJKSA-N 3 0 365.566 0.498 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208675579 1223570125 /nfs/dbraw/zinc/57/01/25/1223570125.db2.gz FAVJYKANZMGMIC-IXDOHACOSA-N 2 0 365.522 0.658 20 0 FCADRP COC(CN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276629889 1223608140 /nfs/dbraw/zinc/60/81/40/1223608140.db2.gz BKRBEUIBASQTED-LJQANCHMSA-N 2 0 368.522 0.167 20 0 FCADRP c1cncc(C[NH+]2CCO[C@@H]3C[N@H+](CCN4CCOCC4)CC[C@@H]3C2)c1 ZINC001209291800 1223609035 /nfs/dbraw/zinc/60/90/35/1223609035.db2.gz HGWPKGDSPWFFKT-WOJBJXKFSA-N 2 0 360.502 0.937 20 0 FCADRP CCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327887 1223610963 /nfs/dbraw/zinc/61/09/63/1223610963.db2.gz SCZDLLPFSDZLID-GDBMZVCRSA-N 2 0 364.494 0.021 20 0 FCADRP Cc1ncc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001209836187 1223652975 /nfs/dbraw/zinc/65/29/75/1223652975.db2.gz JDYHTGYGXUUBJC-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001209971697 1223659604 /nfs/dbraw/zinc/65/96/04/1223659604.db2.gz DNBWCSLQWJBXLI-ZTFGCOKTSA-N 2 0 358.442 0.930 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298978 1223681321 /nfs/dbraw/zinc/68/13/21/1223681321.db2.gz WBPNVZFSNWVFDK-BZUAXINKSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433206 1223691307 /nfs/dbraw/zinc/69/13/07/1223691307.db2.gz OQSGTUXUXVFASS-HUUCEWRRSA-N 2 0 367.494 0.097 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1cncn1C ZINC001210723478 1223705005 /nfs/dbraw/zinc/70/50/05/1223705005.db2.gz LYTTXTPEYNMCKN-VNQPRFMTSA-N 2 0 357.462 0.568 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213094 1223768574 /nfs/dbraw/zinc/76/85/74/1223768574.db2.gz FMHIZAIULOJADE-BRWVUGGUSA-N 2 0 371.522 0.321 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219521 1223770546 /nfs/dbraw/zinc/77/05/46/1223770546.db2.gz XMTONSZUIHICSE-KZNAEPCWSA-N 2 0 371.522 0.464 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340082 1223787940 /nfs/dbraw/zinc/78/79/40/1223787940.db2.gz OLUYYIZXRDTDIL-QZTJIDSGSA-N 2 0 361.486 0.836 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348418 1223789350 /nfs/dbraw/zinc/78/93/50/1223789350.db2.gz LVNWOZOUQMWBQA-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1OC)[NH+](C)C ZINC001213458091 1223801274 /nfs/dbraw/zinc/80/12/74/1223801274.db2.gz KXELHUHTKPEEFA-IXDOHACOSA-N 2 0 366.510 0.604 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574949 1223816111 /nfs/dbraw/zinc/81/61/11/1223816111.db2.gz REAWVZKMOHJBQG-KZNAEPCWSA-N 2 0 365.474 0.185 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638234 1223825652 /nfs/dbraw/zinc/82/56/52/1223825652.db2.gz FAEDFIXBYWKFJK-QZTJIDSGSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638464 1223826116 /nfs/dbraw/zinc/82/61/16/1223826116.db2.gz PRNLTWWLHNIMCE-KZNAEPCWSA-N 2 0 369.506 0.482 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655102 1223828801 /nfs/dbraw/zinc/82/88/01/1223828801.db2.gz BLPDADZOQVEMHA-QZTJIDSGSA-N 2 0 371.522 0.585 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213769087 1223846955 /nfs/dbraw/zinc/84/69/55/1223846955.db2.gz HSGWXUNZUCARKO-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863233 1223864037 /nfs/dbraw/zinc/86/40/37/1223864037.db2.gz IACTVUNBLNFVRY-QXAKKESOSA-N 2 0 361.486 0.970 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214648467 1223929055 /nfs/dbraw/zinc/92/90/55/1223929055.db2.gz PDRRKADMWHWZBR-DJIMGWMZSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648232 1223929136 /nfs/dbraw/zinc/92/91/36/1223929136.db2.gz CYIAPWPCECMDCB-HYVNUMGLSA-N 2 0 365.522 0.472 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847637 1223948128 /nfs/dbraw/zinc/94/81/28/1223948128.db2.gz LZESBWOQOBHHCJ-MGPQQGTHSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214861293 1223949223 /nfs/dbraw/zinc/94/92/23/1223949223.db2.gz PELCPTRVVCADPI-HYVNUMGLSA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889348 1223952307 /nfs/dbraw/zinc/95/23/07/1223952307.db2.gz JKPCPPHZFFWSSL-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978171743 1248714323 /nfs/dbraw/zinc/71/43/23/1248714323.db2.gz SKANJNJZYSXFDM-YXWSMURKSA-N 2 0 360.506 0.529 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1)[NH+](C)C ZINC001214950731 1223958629 /nfs/dbraw/zinc/95/86/29/1223958629.db2.gz WYFTWGGVJLVVKX-DJIMGWMZSA-N 2 0 361.490 0.475 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214955018 1223959019 /nfs/dbraw/zinc/95/90/19/1223959019.db2.gz OQRNUVFWXNPQKZ-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214955254 1223959134 /nfs/dbraw/zinc/95/91/34/1223959134.db2.gz SYOVMFCZPGLQML-IAGOWNOFSA-N 2 0 371.522 0.444 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214954845 1223959212 /nfs/dbraw/zinc/95/92/12/1223959212.db2.gz HXBWAPQKKUVAMV-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001214998092 1223962181 /nfs/dbraw/zinc/96/21/81/1223962181.db2.gz RDRIIZFNVZRYFM-OWCLPIDISA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001214996912 1223962512 /nfs/dbraw/zinc/96/25/12/1223962512.db2.gz FGZZVKLWZXZTCI-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215004264 1223962698 /nfs/dbraw/zinc/96/26/98/1223962698.db2.gz XWJWHDTXILVBNZ-ZIAGYGMSSA-N 2 0 369.510 0.389 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015151 1223964478 /nfs/dbraw/zinc/96/44/78/1223964478.db2.gz JKNZMRLQYNHQKE-NVXWUHKLSA-N 2 0 361.490 0.823 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215200500 1223981911 /nfs/dbraw/zinc/98/19/11/1223981911.db2.gz YQWKTJRVXBROQH-BZUAXINKSA-N 2 0 360.462 0.047 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215224191 1223983976 /nfs/dbraw/zinc/98/39/76/1223983976.db2.gz MDBZFQKYELLBPY-LSBZLQRGSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001215234452 1223984877 /nfs/dbraw/zinc/98/48/77/1223984877.db2.gz WKWIFFCHLWCWGJ-QLFBSQMISA-N 2 0 364.490 0.493 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416293 1223998440 /nfs/dbraw/zinc/99/84/40/1223998440.db2.gz SOHFSXWGLFCGAL-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001215422015 1223998909 /nfs/dbraw/zinc/99/89/09/1223998909.db2.gz UKSHXBXLYLRSSL-QLFBSQMISA-N 2 0 362.478 0.582 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001215463172 1224000736 /nfs/dbraw/zinc/00/07/36/1224000736.db2.gz KSYKQEBSKLTRCR-UWWQBHOKSA-N 2 0 367.465 0.954 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1)[NH+](C)C ZINC001215575383 1224007082 /nfs/dbraw/zinc/00/70/82/1224007082.db2.gz QAVBQTDDHBYULX-YUELXQCFSA-N 2 0 364.494 0.444 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C(C)C ZINC001215977001 1224027629 /nfs/dbraw/zinc/02/76/29/1224027629.db2.gz AZRXUWKTMZTDOO-FMKPAKJESA-N 2 0 366.510 0.411 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215989729 1224028662 /nfs/dbraw/zinc/02/86/62/1224028662.db2.gz KIZMJZSOBMLMCZ-IXDOHACOSA-N 2 0 370.538 0.696 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053717 1224031800 /nfs/dbraw/zinc/03/18/00/1224031800.db2.gz VWUNTOBZLBEVNN-KZNAEPCWSA-N 2 0 371.522 0.179 20 0 FCADRP CCCC[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001216099322 1224034141 /nfs/dbraw/zinc/03/41/41/1224034141.db2.gz NSVNBKMVCXHNNY-HYVNUMGLSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001216400900 1224048653 /nfs/dbraw/zinc/04/86/53/1224048653.db2.gz DVOZSYYYNMCKFY-IAGOWNOFSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001216757699 1224069003 /nfs/dbraw/zinc/06/90/03/1224069003.db2.gz JGAZRCLUIBOEKQ-BFYDXBDKSA-N 2 0 362.474 0.817 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834007 1224076488 /nfs/dbraw/zinc/07/64/88/1224076488.db2.gz FXFXLROHXNMISM-FGTMMUONSA-N 2 0 371.522 0.323 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCC1 ZINC001216846707 1224078416 /nfs/dbraw/zinc/07/84/16/1224078416.db2.gz VDXXYGCWWAHLCT-FMKPAKJESA-N 2 0 367.494 0.128 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001216854259 1224079109 /nfs/dbraw/zinc/07/91/09/1224079109.db2.gz WCBKHHHEKMRPJG-ZIAGYGMSSA-N 2 0 367.494 0.094 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216981110 1224083364 /nfs/dbraw/zinc/08/33/64/1224083364.db2.gz VMCFJLMMNINKSL-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]32)O1 ZINC000978316531 1248728173 /nfs/dbraw/zinc/72/81/73/1248728173.db2.gz AGJHTFUFKOGLNR-RXABAKJHSA-N 2 0 365.518 0.816 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000993214772 1249385155 /nfs/dbraw/zinc/38/51/55/1249385155.db2.gz WDMDXLYNWMBCCT-YZLZLFLDSA-N 2 0 362.518 0.872 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993585462 1249740684 /nfs/dbraw/zinc/74/06/84/1249740684.db2.gz MMWZHQARCRJSBK-MCIONIFRSA-N 2 0 365.453 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994034488 1250159334 /nfs/dbraw/zinc/15/93/34/1250159334.db2.gz VFAIDAPVEUSKPH-FGTMMUONSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000994049265 1250170430 /nfs/dbraw/zinc/17/04/30/1250170430.db2.gz ACUWGIBXVUXGKT-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000849071672 1245391688 /nfs/dbraw/zinc/39/16/88/1245391688.db2.gz SQRHTWNLSHURDT-MRXNPFEDSA-N 2 0 360.510 0.006 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891580289 1245456674 /nfs/dbraw/zinc/45/66/74/1245456674.db2.gz VZJHGKLBCRIMNY-QGZVFWFLSA-N 2 0 367.538 0.472 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517434 1245504980 /nfs/dbraw/zinc/50/49/80/1245504980.db2.gz JHMDIPCIDRNUIP-NRSFXHEJSA-N 2 0 356.470 0.670 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000911518658 1245505707 /nfs/dbraw/zinc/50/57/07/1245505707.db2.gz ZRWAPVSPVMBYBD-MJSCVDMRSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000911518657 1245506287 /nfs/dbraw/zinc/50/62/87/1245506287.db2.gz ZRWAPVSPVMBYBD-LTCOOKNTSA-N 2 0 358.486 0.964 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000911531554 1245508059 /nfs/dbraw/zinc/50/80/59/1245508059.db2.gz HWEJGWFFKXDBTQ-DLBZAZTESA-N 2 0 358.486 0.788 20 0 FCADRP CCN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919118958 1245596122 /nfs/dbraw/zinc/59/61/22/1245596122.db2.gz MZGHMHNNNOANTR-VDCDIQELSA-N 2 0 368.522 0.486 20 0 FCADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325237 1245709854 /nfs/dbraw/zinc/70/98/54/1245709854.db2.gz BJGIUHFPOOSNEZ-GJZGRUSLSA-N 2 0 365.478 0.663 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939491029 1246076236 /nfs/dbraw/zinc/07/62/36/1246076236.db2.gz QVCKLEPHZACVPH-IAGOWNOFSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)C1 ZINC000940294795 1246266585 /nfs/dbraw/zinc/26/65/85/1246266585.db2.gz CIAYRLUIFWAHFG-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000940755524 1246377503 /nfs/dbraw/zinc/37/75/03/1246377503.db2.gz BNCVCJJGOFGRNO-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941102599 1246462018 /nfs/dbraw/zinc/46/20/18/1246462018.db2.gz BNHSJNKCBAIXOD-BZUAXINKSA-N 2 0 359.474 0.536 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@@H]4CCCOC4)C3)CC2)CC[N@@H+]1C ZINC000941414043 1246610354 /nfs/dbraw/zinc/61/03/54/1246610354.db2.gz LBEQLGXWGUXTAP-ZIFCJYIRSA-N 2 0 364.534 0.582 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000941646024 1246745176 /nfs/dbraw/zinc/74/51/76/1246745176.db2.gz YVKGQZHEDOPYEH-BZUAXINKSA-N 2 0 364.490 0.051 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000994219566 1250292393 /nfs/dbraw/zinc/29/23/93/1250292393.db2.gz QVVXVHMOUIJKRK-JFIYKMOQSA-N 2 0 364.534 0.881 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549080 1247122190 /nfs/dbraw/zinc/12/21/90/1247122190.db2.gz FGGBCCVKMVUNDY-ZACQAIPSSA-N 2 0 368.522 0.256 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396028 1247547542 /nfs/dbraw/zinc/54/75/42/1247547542.db2.gz FNTTVNBCYMTPST-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)CC2)CC[N@@H+]1C ZINC000944949415 1247687486 /nfs/dbraw/zinc/68/74/86/1247687486.db2.gz SOMXEFPEDUAPPQ-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000946769553 1248000260 /nfs/dbraw/zinc/00/02/60/1248000260.db2.gz AQOIRFXHFCHHAC-ARFHVFGLSA-N 2 0 366.506 0.297 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CCC1 ZINC000972737493 1248125158 /nfs/dbraw/zinc/12/51/58/1248125158.db2.gz DMYFFZPQXQKNPA-SJLPKXTDSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001327932068 1265456968 /nfs/dbraw/zinc/45/69/68/1265456968.db2.gz GFIBMMIXADQIMT-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001327932064 1265457460 /nfs/dbraw/zinc/45/74/60/1265457460.db2.gz GFIBMMIXADQIMT-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)CC[N@@H+]1C ZINC000976596084 1248270984 /nfs/dbraw/zinc/27/09/84/1248270984.db2.gz QSNPQYLBNWQJDQ-FUEZWAHWSA-N 2 0 367.453 0.861 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976611908 1248293580 /nfs/dbraw/zinc/29/35/80/1248293580.db2.gz YOIPYCYPBSVZDK-WMOPWKTHSA-N 2 0 362.518 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC000976611031 1248293850 /nfs/dbraw/zinc/29/38/50/1248293850.db2.gz SJRQKOXIXMCMBD-MNWMBMHPSA-N 2 0 364.534 0.876 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327984350 1265467630 /nfs/dbraw/zinc/46/76/30/1265467630.db2.gz KZBYUDFCWOVWQT-HDICACEKSA-N 2 0 366.506 0.792 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000976761343 1248393556 /nfs/dbraw/zinc/39/35/56/1248393556.db2.gz OXPTXTYLNXEHKD-QXDIGNSFSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976990538 1248511406 /nfs/dbraw/zinc/51/14/06/1248511406.db2.gz XWRDJQJNARECEJ-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1C ZINC000977195963 1248567065 /nfs/dbraw/zinc/56/70/65/1248567065.db2.gz JYCXZJZNVVUKMO-WMOPWKTHSA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994336837 1250384977 /nfs/dbraw/zinc/38/49/77/1250384977.db2.gz YBKQXANAPJSGFF-OIISXLGYSA-N 2 0 362.518 0.633 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328235339 1265510515 /nfs/dbraw/zinc/51/05/15/1265510515.db2.gz XOUAONGLGVNULI-KRWDZBQOSA-N 2 0 364.490 0.099 20 0 FCADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001328454975 1265554374 /nfs/dbraw/zinc/55/43/74/1265554374.db2.gz LGQOMBNNDNIDRT-HNNXBMFYSA-N 2 0 362.478 0.530 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC000996538726 1251373837 /nfs/dbraw/zinc/37/38/37/1251373837.db2.gz NTQZCGBWOLWROO-NCOADZHNSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnc4n3CCOC4)CC2)CC[N@@H+]1C ZINC000996609518 1251403254 /nfs/dbraw/zinc/40/32/54/1251403254.db2.gz VEMZAOIGTFATEK-UKRRQHHQSA-N 2 0 362.478 0.229 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000997792667 1251709526 /nfs/dbraw/zinc/70/95/26/1251709526.db2.gz JMERZONHRAVLBL-ARFHVFGLSA-N 2 0 364.490 0.350 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC001002082537 1252429900 /nfs/dbraw/zinc/42/99/00/1252429900.db2.gz FFHVOTWGCONBKL-OKZBNKHCSA-N 2 0 362.518 0.633 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760450 1265678522 /nfs/dbraw/zinc/67/85/22/1265678522.db2.gz INEGNRJKBUGBJF-IAGOWNOFSA-N 2 0 355.527 0.278 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC001003301711 1252843886 /nfs/dbraw/zinc/84/38/86/1252843886.db2.gz NNRSBQYOWIQOTH-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@H]3CCN(C)C3=O)cc2)CC[N@@H+]1C ZINC001034818360 1254007411 /nfs/dbraw/zinc/00/74/11/1254007411.db2.gz GBBUGVPETXLWFU-OLMNPRSZSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CCn4cncn4)C3)CC2)CC[N@@H+]1C ZINC001035710210 1254058135 /nfs/dbraw/zinc/05/81/35/1254058135.db2.gz KNSKOWYPLXRNEJ-DLBZAZTESA-N 2 0 360.506 0.933 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967421 1254088586 /nfs/dbraw/zinc/08/85/86/1254088586.db2.gz RJGXNPWZCZXUNO-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+](CC)CC)CC[N@@H+]1C ZINC001061605267 1254189194 /nfs/dbraw/zinc/18/91/94/1254189194.db2.gz RGFYSUXUAPCUEQ-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001061621586 1254194309 /nfs/dbraw/zinc/19/43/09/1254194309.db2.gz ZITKYPAXCWUKHB-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1 ZINC001064545939 1254431370 /nfs/dbraw/zinc/43/13/70/1254431370.db2.gz YSDFYJNEJXOZAV-ARFHVFGLSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065210890 1254492397 /nfs/dbraw/zinc/49/23/97/1254492397.db2.gz HQPYHMFYCBHUHF-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001065213035 1254496374 /nfs/dbraw/zinc/49/63/74/1254496374.db2.gz ZWUUPWCBVNDOAL-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012969 1255169300 /nfs/dbraw/zinc/16/93/00/1255169300.db2.gz KRUIGTJZLCOFLR-RTBURBONSA-N 2 0 366.465 0.992 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079154669 1255462039 /nfs/dbraw/zinc/46/20/39/1255462039.db2.gz PMLIUJGZIDAOKO-GVDBMIGSSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001079187432 1255468918 /nfs/dbraw/zinc/46/89/18/1255468918.db2.gz GBQMTZKOVOPJDI-JZXOWHBKSA-N 2 0 362.449 0.535 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079257875 1255490863 /nfs/dbraw/zinc/49/08/63/1255490863.db2.gz AXZGIAKTRBOXOV-RYQLBKOJSA-N 2 0 365.518 0.648 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079258217 1255491018 /nfs/dbraw/zinc/49/10/18/1255491018.db2.gz SRUOJLIBWKDAJZ-XLAORIBOSA-N 2 0 365.518 0.648 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717334 1255583406 /nfs/dbraw/zinc/58/34/06/1255583406.db2.gz CMFIDZOWJHDRAI-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080449679 1255894878 /nfs/dbraw/zinc/89/48/78/1255894878.db2.gz UZADFDBVTYNNCU-HUUCEWRRSA-N 2 0 364.490 0.304 20 0 FCADRP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001080936358 1256102906 /nfs/dbraw/zinc/10/29/06/1256102906.db2.gz UYONRWTXTYAITO-FHLIZLRMSA-N 2 0 358.486 0.934 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081231202 1256212656 /nfs/dbraw/zinc/21/26/56/1256212656.db2.gz DDHIYVIRWRAJFB-RCCFBDPRSA-N 2 0 358.486 0.930 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948418 1256468941 /nfs/dbraw/zinc/46/89/41/1256468941.db2.gz YGUCRIUBJQIWLU-QZTJIDSGSA-N 2 0 368.441 0.740 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082327081 1256667636 /nfs/dbraw/zinc/66/76/36/1256667636.db2.gz BPKKXRMKDKLKNY-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328999 1256671295 /nfs/dbraw/zinc/67/12/95/1256671295.db2.gz WJPXEIXKGXPCDJ-QZTJIDSGSA-N 2 0 359.470 0.977 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330567869 1266061529 /nfs/dbraw/zinc/06/15/29/1266061529.db2.gz NHAYOWHHFASFMO-KRWDZBQOSA-N 2 0 366.554 0.044 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001082517870 1256801892 /nfs/dbraw/zinc/80/18/92/1256801892.db2.gz LMRSAIXODPTJAH-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082742428 1257023328 /nfs/dbraw/zinc/02/33/28/1257023328.db2.gz FJCMGWCACSANFF-SPYBWZPUSA-N 2 0 368.497 0.868 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+]1CCCCCC1 ZINC001082783059 1257048023 /nfs/dbraw/zinc/04/80/23/1257048023.db2.gz YEAAQLCFPQJZKU-QLFBSQMISA-N 2 0 364.494 0.309 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082797892 1257057515 /nfs/dbraw/zinc/05/75/15/1257057515.db2.gz WNTMBZOKZOMGAT-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082822125 1257081556 /nfs/dbraw/zinc/08/15/56/1257081556.db2.gz MDIMCCWOWOPCLZ-BRWVUGGUSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082923743 1257147796 /nfs/dbraw/zinc/14/77/96/1257147796.db2.gz ZRKMFWIVLRYJBD-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2O)n1 ZINC001083470277 1257461010 /nfs/dbraw/zinc/46/10/10/1257461010.db2.gz ISIAFWIXVTVYHO-MSOLQXFVSA-N 2 0 363.506 0.800 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083783160 1257529911 /nfs/dbraw/zinc/52/99/11/1257529911.db2.gz CNBOJKLSGRFKOE-QRQLOZEOSA-N 2 0 361.486 0.602 20 0 FCADRP C[C@]1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1=O ZINC001521458600 1266124403 /nfs/dbraw/zinc/12/44/03/1266124403.db2.gz ITZNSIWGENNTDL-SFHVURJKSA-N 2 0 361.446 0.599 20 0 FCADRP C[C@@]1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1=O ZINC001521458598 1266124522 /nfs/dbraw/zinc/12/45/22/1266124522.db2.gz ITZNSIWGENNTDL-GOSISDBHSA-N 2 0 361.446 0.599 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2O)cn1 ZINC001083851003 1257608890 /nfs/dbraw/zinc/60/88/90/1257608890.db2.gz GRDZDTQYZYYOJB-MSOLQXFVSA-N 2 0 361.490 0.720 20 0 FCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CNCC[NH3+])CC1 ZINC001521503964 1266128389 /nfs/dbraw/zinc/12/83/89/1266128389.db2.gz LQUHGPWNIQYFOJ-UHFFFAOYSA-N 2 0 373.423 0.622 20 0 FCADRP CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001331030610 1266132675 /nfs/dbraw/zinc/13/26/75/1266132675.db2.gz MKMPZOAHVULJSO-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937011 1257722614 /nfs/dbraw/zinc/72/26/14/1257722614.db2.gz HQEURGOJNKEGES-MOPGFXCFSA-N 2 0 365.518 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053956 1257864406 /nfs/dbraw/zinc/86/44/06/1257864406.db2.gz QNALSHOTSIDRSV-UHOSZYNNSA-N 2 0 369.469 0.485 20 0 FCADRP Cc1cc(C)cc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056788 1257868442 /nfs/dbraw/zinc/86/84/42/1257868442.db2.gz NRKLPDHDUMFTMG-UHOSZYNNSA-N 2 0 361.486 0.795 20 0 FCADRP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347223 1258040457 /nfs/dbraw/zinc/04/04/57/1258040457.db2.gz KMRHITPACAQNNW-BHIYHBOVSA-N 2 0 357.502 0.837 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001084702320 1258251044 /nfs/dbraw/zinc/25/10/44/1258251044.db2.gz RTVDSNVTLCUOTG-IAGOWNOFSA-N 2 0 363.506 0.276 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001085025373 1258528977 /nfs/dbraw/zinc/52/89/77/1258528977.db2.gz XBMQBUQQMVXDMF-IXDOHACOSA-N 2 0 365.522 0.521 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075200 1258569009 /nfs/dbraw/zinc/56/90/09/1258569009.db2.gz VDKOUWBANKBQHP-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076239 1258572067 /nfs/dbraw/zinc/57/20/67/1258572067.db2.gz TYXDLIJEEVLGGI-AEFFLSMTSA-N 2 0 357.502 0.981 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001085093711 1258587489 /nfs/dbraw/zinc/58/74/89/1258587489.db2.gz XUTDPKTYSOBMOU-KURKYZTESA-N 2 0 361.490 0.263 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092977 1258587516 /nfs/dbraw/zinc/58/75/16/1258587516.db2.gz YRXCWINFAJGRRU-RYRKJORJSA-N 2 0 360.506 0.981 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092926 1258588076 /nfs/dbraw/zinc/58/80/76/1258588076.db2.gz WEQHNQBQCVQNAB-KURKYZTESA-N 2 0 360.506 0.769 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088173059 1258692353 /nfs/dbraw/zinc/69/23/53/1258692353.db2.gz QDLMRIXZOKWTCC-VKJFTORMSA-N 2 0 371.485 0.772 20 0 FCADRP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199808 1258722219 /nfs/dbraw/zinc/72/22/19/1258722219.db2.gz CXTRDIJELMCBPC-PMPSAXMXSA-N 2 0 359.474 0.717 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773088 1258840414 /nfs/dbraw/zinc/84/04/14/1258840414.db2.gz JSIYZHLKMVKCKD-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782054 1258843933 /nfs/dbraw/zinc/84/39/33/1258843933.db2.gz CRCKCPDNFVEOPN-UNEWFSDZSA-N 2 0 355.442 0.863 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001331433447 1266215452 /nfs/dbraw/zinc/21/54/52/1266215452.db2.gz RMDSXERKBTYAOU-QGZVFWFLSA-N 2 0 373.501 0.896 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001331433446 1266215641 /nfs/dbraw/zinc/21/56/41/1266215641.db2.gz RMDSXERKBTYAOU-KRWDZBQOSA-N 2 0 373.501 0.896 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331433014 1266215796 /nfs/dbraw/zinc/21/57/96/1266215796.db2.gz YGHHSUYIDCIQQC-MSOLQXFVSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001106597706 1258927141 /nfs/dbraw/zinc/92/71/41/1258927141.db2.gz JQURMYRKIMPTEK-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106593899 1258927576 /nfs/dbraw/zinc/92/75/76/1258927576.db2.gz KWCPEEVIDDHONI-HUUCEWRRSA-N 2 0 363.510 0.609 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1 ZINC001106622831 1258929379 /nfs/dbraw/zinc/92/93/79/1258929379.db2.gz SKIQHGNJROTRME-SJLPKXTDSA-N 2 0 360.502 0.939 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C[NH2+]CC(N)=O ZINC001106684833 1258941526 /nfs/dbraw/zinc/94/15/26/1258941526.db2.gz PAPPQPKKFSKWMD-DDBAPUKQSA-N 2 0 358.486 0.501 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106729349 1258948869 /nfs/dbraw/zinc/94/88/69/1258948869.db2.gz OJSSVWCHILMJTQ-KFWWJZLASA-N 2 0 367.494 0.128 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106784118 1258962669 /nfs/dbraw/zinc/96/26/69/1258962669.db2.gz BOLHOFXLFFVOIZ-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106811249 1258968469 /nfs/dbraw/zinc/96/84/69/1258968469.db2.gz YBGHSPQGHPUMSY-OWCLPIDISA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106874398 1258984870 /nfs/dbraw/zinc/98/48/70/1258984870.db2.gz GNRXFRLEINAADC-QLFBSQMISA-N 2 0 363.462 0.639 20 0 FCADRP Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106878673 1258986341 /nfs/dbraw/zinc/98/63/41/1258986341.db2.gz WVCKRDPKUVOJSG-GDBMZVCRSA-N 2 0 367.494 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106884686 1258987286 /nfs/dbraw/zinc/98/72/86/1258987286.db2.gz JUIGWWLJTUFZOA-HUUCEWRRSA-N 2 0 359.474 0.678 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001106881880 1258987309 /nfs/dbraw/zinc/98/73/09/1258987309.db2.gz NMQZUNGKUGJWHB-HLLBOEOZSA-N 2 0 368.522 0.163 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001106905146 1258992706 /nfs/dbraw/zinc/99/27/06/1258992706.db2.gz CGBCRGULIAQUBA-HUUCEWRRSA-N 2 0 363.510 0.924 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106981479 1259010176 /nfs/dbraw/zinc/01/01/76/1259010176.db2.gz QAECDWNNEVXKGR-QLFBSQMISA-N 2 0 360.462 0.051 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)c1nnnn1C ZINC001107030579 1259020522 /nfs/dbraw/zinc/02/05/22/1259020522.db2.gz MWLALPZHTWPVJU-OWCLPIDISA-N 2 0 363.510 0.831 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)on1 ZINC001107038740 1259022370 /nfs/dbraw/zinc/02/23/70/1259022370.db2.gz FQSCMTWDZPCTJW-UKRRQHHQSA-N 2 0 365.478 0.946 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001107038994 1259023044 /nfs/dbraw/zinc/02/30/44/1259023044.db2.gz KAJRDZBXGZXGGS-HUUCEWRRSA-N 2 0 364.494 0.333 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107462136 1259095676 /nfs/dbraw/zinc/09/56/76/1259095676.db2.gz UVKBKDJLLNJMEK-ZHALLVOQSA-N 2 0 365.518 0.983 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001127644098 1259183499 /nfs/dbraw/zinc/18/34/99/1259183499.db2.gz UXDQXZOZPXDGEJ-MLGOLLRUSA-N 2 0 368.428 0.627 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2c(C)nn(C)c2C)CC[N@@H+]1C ZINC001127706652 1259183910 /nfs/dbraw/zinc/18/39/10/1259183910.db2.gz PTPIEDXRFQBGCB-LSDHHAIUSA-N 2 0 364.494 0.412 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC001127653064 1259184160 /nfs/dbraw/zinc/18/41/60/1259184160.db2.gz KDYNIDCVLWUGSI-HYVNUMGLSA-N 2 0 367.465 0.749 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001331576421 1266240476 /nfs/dbraw/zinc/24/04/76/1266240476.db2.gz ZSGSKFMYLRVJEO-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054697 1259301203 /nfs/dbraw/zinc/30/12/03/1259301203.db2.gz KGXQRNJJNNFHRZ-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129144196 1259327244 /nfs/dbraw/zinc/32/72/44/1259327244.db2.gz KGERYKIBNAGEOX-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220480 1259347810 /nfs/dbraw/zinc/34/78/10/1259347810.db2.gz XHBGUZSWFHSRTK-OIISXLGYSA-N 2 0 364.494 0.122 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258382 1259356738 /nfs/dbraw/zinc/35/67/38/1259356738.db2.gz YAUPLJHBLNNMGC-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276590 1259364318 /nfs/dbraw/zinc/36/43/18/1259364318.db2.gz MTENNYVGEYZVIE-XHSDSOJGSA-N 2 0 366.510 0.632 20 0 FCADRP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249303 1259376124 /nfs/dbraw/zinc/37/61/24/1259376124.db2.gz WSMYANKLGRLUOA-KKUMJFAQSA-N 2 0 364.494 0.635 20 0 FCADRP C[NH+](C)C1(C)CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001160645141 1259386409 /nfs/dbraw/zinc/38/64/09/1259386409.db2.gz OLARUIXPOKHAFT-INIZCTEOSA-N 2 0 357.458 0.316 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[C@@H]([NH3+])[C@@H](F)C3)cc(=O)oc2c1 ZINC001160649332 1259386420 /nfs/dbraw/zinc/38/64/20/1259386420.db2.gz IRVYIOBASHESCA-ZNMIVQPWSA-N 2 0 363.389 0.569 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537149 1259416213 /nfs/dbraw/zinc/41/62/13/1259416213.db2.gz MIMTYANMMVVATL-BRWVUGGUSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653775 1266258703 /nfs/dbraw/zinc/25/87/03/1266258703.db2.gz UTVUDXOFAQTPLU-DKIMLUQUSA-N 2 0 358.486 0.724 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212452461 1259510515 /nfs/dbraw/zinc/51/05/15/1259510515.db2.gz DGIHZYIEAMJTPK-IAGOWNOFSA-N 2 0 369.506 0.341 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495627 1259526264 /nfs/dbraw/zinc/52/62/64/1259526264.db2.gz LBTMREKFOIHZII-KBAYOESNSA-N 2 0 362.474 0.760 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCN[C@@]4(CC[NH2+]C4)C3)cnc12 ZINC001235055270 1259567473 /nfs/dbraw/zinc/56/74/73/1259567473.db2.gz UJGWORVBBSEVHB-LJQANCHMSA-N 2 0 355.490 0.334 20 0 FCADRP O=C1CCC[C@]2(C[NH2+]CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)C2)N1 ZINC001235177936 1259567879 /nfs/dbraw/zinc/56/78/79/1259567879.db2.gz SRVAYYRIEWXLOS-OAQYLSRUSA-N 2 0 371.529 0.536 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235330307 1259570822 /nfs/dbraw/zinc/57/08/22/1259570822.db2.gz NRFZHJXSAYUWSQ-YESZJQIVSA-N 2 0 360.458 0.101 20 0 FCADRP O=C1NCC[C@]12C[N@@H+](Cc1cccnc1)CC21CC[NH+](CCCO)CC1 ZINC001235488266 1259574126 /nfs/dbraw/zinc/57/41/26/1259574126.db2.gz BEXOCZLMSJCSQH-FQEVSTJZSA-N 2 0 358.486 0.868 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[C@H]4COC[C@@H](C3)[NH2+]4)cnc12 ZINC001235985470 1259586619 /nfs/dbraw/zinc/58/66/19/1259586619.db2.gz KWKNPXBCJVBWMN-DLBZAZTESA-N 2 0 356.474 0.759 20 0 FCADRP COC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(OC)c1 ZINC001236310813 1259589069 /nfs/dbraw/zinc/58/90/69/1259589069.db2.gz BZZVYCRUFWONRH-UHFFFAOYSA-N 2 0 366.462 0.098 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236312658 1259589476 /nfs/dbraw/zinc/58/94/76/1259589476.db2.gz YWZMIBUMNRJXJB-UHFFFAOYSA-N 3 0 372.517 0.360 20 0 FCADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCN(CC(N)=O)C(C)(C)C3)c2)CC1 ZINC001236888414 1259593024 /nfs/dbraw/zinc/59/30/24/1259593024.db2.gz DVAKRGRVTUAVBN-UHFFFAOYSA-N 2 0 359.518 0.820 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C(=O)NCC[NH3+])c2)CCC12C[NH2+]C2 ZINC001237430192 1259598055 /nfs/dbraw/zinc/59/80/55/1259598055.db2.gz JUBSCNASAJVBHB-QGZVFWFLSA-N 3 0 374.485 0.350 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1nnn2c1C[NH2+]CCC2 ZINC001245985428 1259643252 /nfs/dbraw/zinc/64/32/52/1259643252.db2.gz KYXYONJCGLISMH-WMLDXEAASA-N 2 0 366.416 0.070 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001246005836 1259643479 /nfs/dbraw/zinc/64/34/79/1259643479.db2.gz POGQXHBJSWYPDG-GBESFXJTSA-N 3 0 368.472 0.611 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)COc1ccc(CCOC)cc1 ZINC001246022288 1259643860 /nfs/dbraw/zinc/64/38/60/1259643860.db2.gz XBBQYBGWNHYORD-WMZOPIPTSA-N 2 0 367.490 0.448 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245986733 1259643991 /nfs/dbraw/zinc/64/39/91/1259643991.db2.gz QBPLTQWYFBMQNQ-OKZBNKHCSA-N 3 0 368.472 0.659 20 0 FCADRP O[C@@H](CN1CCC2(CC1)[NH2+]CCc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246062133 1259645692 /nfs/dbraw/zinc/64/56/92/1259645692.db2.gz BXMZKLLSYLTIDL-GOSISDBHSA-N 3 0 359.514 0.989 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001246037378 1259647036 /nfs/dbraw/zinc/64/70/36/1259647036.db2.gz SEYYOBCCIWMQQD-PWIZWCRZSA-N 2 0 365.518 0.746 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246121923 1259647550 /nfs/dbraw/zinc/64/75/50/1259647550.db2.gz VPVPVJWWAHCYAE-QFDKOSDTSA-N 2 0 369.506 0.779 20 0 FCADRP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246155585 1259650900 /nfs/dbraw/zinc/65/09/00/1259650900.db2.gz DXIFZOANMFLHOE-QGZVFWFLSA-N 2 0 358.486 0.670 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246216071 1259651233 /nfs/dbraw/zinc/65/12/33/1259651233.db2.gz LNSQYIFGSGGABQ-OALUTQOASA-N 3 0 373.538 0.523 20 0 FCADRP COc1ccc(CN2C[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2=O)c(OC)c1 ZINC001246496612 1259655172 /nfs/dbraw/zinc/65/51/72/1259655172.db2.gz PDINJUUKJNAIMV-CVEARBPZSA-N 2 0 374.485 0.488 20 0 FCADRP COc1ccc(CN2CC[C@@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641966 1259656124 /nfs/dbraw/zinc/65/61/24/1259656124.db2.gz KHYAIRSWNSINAK-YLJYHZDGSA-N 2 0 358.486 0.824 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597374 1259657744 /nfs/dbraw/zinc/65/77/44/1259657744.db2.gz UNBGNXCRXDDVDH-RCJHGTSTSA-N 2 0 367.490 0.535 20 0 FCADRP CCOC(=O)[C@H]1CCCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679934 1259660141 /nfs/dbraw/zinc/66/01/41/1259660141.db2.gz RDKCEXWIVPOJMB-WMZOPIPTSA-N 2 0 364.534 0.820 20 0 FCADRP C[C@@H]1C[C@@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246712644 1259667114 /nfs/dbraw/zinc/66/71/14/1259667114.db2.gz XMUNXJWQDFLGMX-RYRKJORJSA-N 2 0 362.522 0.967 20 0 FCADRP O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246718758 1259669192 /nfs/dbraw/zinc/66/91/92/1259669192.db2.gz ZLWAQPLKZHDANE-AHCXZYCDSA-N 2 0 374.485 0.184 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001246727067 1259669902 /nfs/dbraw/zinc/66/99/02/1259669902.db2.gz GTMZWKFGQGMQEC-IFORVRASSA-N 2 0 357.458 0.721 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733009 1259672601 /nfs/dbraw/zinc/67/26/01/1259672601.db2.gz CPGWSPWJAUNENH-YKTARERQSA-N 2 0 358.490 0.634 20 0 FCADRP c1cncc(CO[C@@H]2C[C@@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)c1 ZINC001246735562 1259673543 /nfs/dbraw/zinc/67/35/43/1259673543.db2.gz UPIMBCFDTJZWJY-GUDVDZBRSA-N 2 0 357.502 0.451 20 0 FCADRP CNC(=O)[C@]12C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1N(c1ncccn1)CCC2 ZINC001246742142 1259674269 /nfs/dbraw/zinc/67/42/69/1259674269.db2.gz ZPWHIYKAKXYCOV-RULLSCPISA-N 2 0 370.501 0.776 20 0 FCADRP O=C(c1ccccc1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246746961 1259678004 /nfs/dbraw/zinc/67/80/04/1259678004.db2.gz QSRDNFYBXHRXAU-IPMKNSEASA-N 2 0 370.497 0.553 20 0 FCADRP O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753730 1259679499 /nfs/dbraw/zinc/67/94/99/1259679499.db2.gz CNRYYCJDKWCYOT-QUCCMNQESA-N 2 0 369.513 0.990 20 0 FCADRP Cc1ccc(N([C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)[C@@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246750600 1259680031 /nfs/dbraw/zinc/68/00/31/1259680031.db2.gz FUUIHHFNORILHI-FUHIMQAGSA-N 2 0 372.517 0.597 20 0 FCADRP O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756620 1259681801 /nfs/dbraw/zinc/68/18/01/1259681801.db2.gz VUQAABTVRSXUED-AOIWGVFYSA-N 2 0 355.486 0.504 20 0 FCADRP c1cc(COC[C@]23COC[C@H]2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)ccn1 ZINC001246755048 1259682358 /nfs/dbraw/zinc/68/23/58/1259682358.db2.gz SMBSTUCZTPOHSN-CEXWTWQISA-N 2 0 358.486 0.641 20 0 FCADRP c1nnn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246758567 1259682772 /nfs/dbraw/zinc/68/27/72/1259682772.db2.gz IDRMCZHOTXSTCL-SUTQANCOSA-N 2 0 360.506 0.936 20 0 FCADRP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755796 1259682879 /nfs/dbraw/zinc/68/28/79/1259682879.db2.gz UIGFOLKGZBFQCC-HSALFYBXSA-N 3 0 371.529 0.698 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246762504 1259684391 /nfs/dbraw/zinc/68/43/91/1259684391.db2.gz GJXSSNLENXLEET-MRXNPFEDSA-N 2 0 362.522 0.261 20 0 FCADRP Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246787625 1259688586 /nfs/dbraw/zinc/68/85/86/1259688586.db2.gz DQFUIWNQPAGOAY-GOSISDBHSA-N 2 0 371.529 0.954 20 0 FCADRP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246785965 1259689001 /nfs/dbraw/zinc/68/90/01/1259689001.db2.gz BOCCRSAJEQDMQL-FUHIMQAGSA-N 2 0 364.534 0.866 20 0 FCADRP O=C(c1cn([C@@H]2CCNC3(C[NH2+]C3)C2)c2ccccc12)N1CC[NH2+]CC1 ZINC001246800368 1259689615 /nfs/dbraw/zinc/68/96/15/1259689615.db2.gz DHUKRXOXSOANMR-OAHLLOKOSA-N 2 0 353.470 0.953 20 0 FCADRP O=C1[C@@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C(=O)N1Cc1ccccc1 ZINC001246846579 1259690483 /nfs/dbraw/zinc/69/04/83/1259690483.db2.gz BKTWTCBDZDHIOW-RCCFBDPRSA-N 2 0 368.481 0.730 20 0 FCADRP COC(=O)c1ccc(CN2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246808267 1259690828 /nfs/dbraw/zinc/69/08/28/1259690828.db2.gz MYAGSGBTUGEFFA-GOSISDBHSA-N 2 0 358.486 0.685 20 0 FCADRP COc1ccc([C@@H]2C[C@@H](N3CC[NH2+]CCNCC[NH2+]CC3)CCO2)cc1 ZINC001246819544 1259691201 /nfs/dbraw/zinc/69/12/01/1259691201.db2.gz GUCFTJGCYBDZPJ-ICSRJNTNSA-N 2 0 362.518 1.000 20 0 FCADRP O=C(c1ccccc1)N1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246818026 1259691844 /nfs/dbraw/zinc/69/18/44/1259691844.db2.gz CCBQULMZDSHJSO-UHFFFAOYSA-N 2 0 359.518 0.376 20 0 FCADRP c1cc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc(N2CCCC2)n1 ZINC001246865080 1259693298 /nfs/dbraw/zinc/69/32/98/1259693298.db2.gz VUKWXJBIJOVOMI-INIZCTEOSA-N 3 0 357.506 0.293 20 0 FCADRP COC(=O)c1ccc(C[C@@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246925799 1259695742 /nfs/dbraw/zinc/69/57/42/1259695742.db2.gz POHNZNFDDHEWTK-OAHLLOKOSA-N 2 0 364.490 0.520 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(/C=C/C(=O)NCC[NH3+])n2)CC1 ZINC001247637491 1259703533 /nfs/dbraw/zinc/70/35/33/1259703533.db2.gz IPHRRYYWKYZUHL-VOTSOKGWSA-N 2 0 356.430 0.577 20 0 FCADRP COc1cc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1OC1COC1 ZINC001247832864 1259705657 /nfs/dbraw/zinc/70/56/57/1259705657.db2.gz ZZMJZURGSMSQSA-ZDUSSCGKSA-N 2 0 358.398 0.799 20 0 FCADRP COc1cc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)ccc1OC1COC1 ZINC001247850276 1259706767 /nfs/dbraw/zinc/70/67/67/1259706767.db2.gz JXJSXGZEODEHRK-UHFFFAOYSA-N 2 0 358.398 0.583 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@H]4COC5(C[NH2+]C5)CN4)n3)cc2)CC1 ZINC001247854901 1259707750 /nfs/dbraw/zinc/70/77/50/1259707750.db2.gz SBHSTOIZPNPISV-MRXNPFEDSA-N 2 0 370.457 0.491 20 0 FCADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016580 1259731154 /nfs/dbraw/zinc/73/11/54/1259731154.db2.gz XVLQBACUJVUOFT-ZCNNSNEGSA-N 2 0 367.534 0.360 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001521991643 1266282168 /nfs/dbraw/zinc/28/21/68/1266282168.db2.gz DTIAACVLLVFYHS-UHFFFAOYSA-N 2 0 351.451 0.234 20 0 FCADRP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510373 1259794019 /nfs/dbraw/zinc/79/40/19/1259794019.db2.gz LPNXSTLQLFIWOY-FGTMMUONSA-N 2 0 371.522 0.275 20 0 FCADRP COC(=O)C1(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001252947285 1259813253 /nfs/dbraw/zinc/81/32/53/1259813253.db2.gz BILBFKNBVRZSFE-LJQANCHMSA-N 2 0 361.486 0.850 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001253186621 1259829343 /nfs/dbraw/zinc/82/93/43/1259829343.db2.gz QKAUCFYZNZSNML-LJQANCHMSA-N 2 0 368.566 0.954 20 0 FCADRP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335791164 1259841398 /nfs/dbraw/zinc/84/13/98/1259841398.db2.gz SGFUYHUVUNSKPG-HIFRSBDPSA-N 2 0 362.478 0.173 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253795650 1259855137 /nfs/dbraw/zinc/85/51/37/1259855137.db2.gz UJSCNCNHMNSALU-INIZCTEOSA-N 2 0 365.474 0.125 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001253864353 1259859867 /nfs/dbraw/zinc/85/98/67/1259859867.db2.gz TWWJLYHVKXURGE-RBUKOAKNSA-N 2 0 365.566 0.498 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001335840157 1259864232 /nfs/dbraw/zinc/86/42/32/1259864232.db2.gz ZROQCNGLVLRKGA-WMZOPIPTSA-N 2 0 352.523 0.175 20 0 FCADRP COc1cccc(OC[C@H](O)C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001253958064 1259867828 /nfs/dbraw/zinc/86/78/28/1259867828.db2.gz KUJHRYXQIYMDTL-MRXNPFEDSA-N 2 0 365.474 0.531 20 0 FCADRP COC(=O)CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(N)=O ZINC001254052429 1259870148 /nfs/dbraw/zinc/87/01/48/1259870148.db2.gz HZZUJFQGFWOFAD-INIZCTEOSA-N 2 0 363.458 0.410 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)C2CCOCC2)C1 ZINC001255033354 1259903628 /nfs/dbraw/zinc/90/36/28/1259903628.db2.gz ARSXQKJQUAEQRR-FUJDEKNSSA-N 2 0 373.538 0.934 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)[C@H]2CC[N@H+](C)C2)C1 ZINC001255424650 1259911272 /nfs/dbraw/zinc/91/12/72/1259911272.db2.gz ZKRVZRFIJXOUTL-FRMKIJSPSA-N 3 0 372.554 0.460 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC001331853916 1266295396 /nfs/dbraw/zinc/29/53/96/1266295396.db2.gz XOSMDJBPICFPKN-FQEVSTJZSA-N 2 0 374.485 0.032 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001336035030 1259952982 /nfs/dbraw/zinc/95/29/82/1259952982.db2.gz MNUOBZPXQHEPLB-IEBWSBKVSA-N 2 0 365.522 0.321 20 0 FCADRP COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256684533 1259957063 /nfs/dbraw/zinc/95/70/63/1259957063.db2.gz RZLGJASCHJTKBZ-OTBWCIGPSA-N 2 0 367.490 0.772 20 0 FCADRP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336057311 1259959696 /nfs/dbraw/zinc/95/96/96/1259959696.db2.gz XSBSHJMJUPZTRW-BRSBDYLESA-N 2 0 360.502 0.433 20 0 FCADRP CC(C)[NH+]1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001257215327 1260002698 /nfs/dbraw/zinc/00/26/98/1260002698.db2.gz DLPYHUFBKFNKNH-UHFFFAOYSA-N 2 0 369.535 0.663 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174626 1260025086 /nfs/dbraw/zinc/02/50/86/1260025086.db2.gz FMWKBYXIXZAOPH-HOTGVXAUSA-N 2 0 368.522 0.632 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001261381021 1260129536 /nfs/dbraw/zinc/12/95/36/1260129536.db2.gz WNWPAJFISVZWOE-UZLBHIALSA-N 2 0 360.502 0.987 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891285 1260208360 /nfs/dbraw/zinc/20/83/60/1260208360.db2.gz DEYGZZQWRFXSQG-DYVFJYSZSA-N 2 0 372.469 0.655 20 0 FCADRP COCC[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001336798413 1260225427 /nfs/dbraw/zinc/22/54/27/1260225427.db2.gz GMEPUCVCXUTQLB-INIZCTEOSA-N 2 0 354.495 0.651 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@H]1C[NH3+] ZINC001262008245 1260245585 /nfs/dbraw/zinc/24/55/85/1260245585.db2.gz GCFOVKDTHDHOKY-ZYHUDNBSSA-N 2 0 372.420 0.576 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001262564144 1260327804 /nfs/dbraw/zinc/32/78/04/1260327804.db2.gz ZZBBOVOCWCPCRL-CVEARBPZSA-N 2 0 367.490 0.669 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001263100871 1260342587 /nfs/dbraw/zinc/34/25/87/1260342587.db2.gz AXFAJORFIDWGAU-KRWDZBQOSA-N 2 0 374.489 0.744 20 0 FCADRP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)O1 ZINC001337399965 1260390363 /nfs/dbraw/zinc/39/03/63/1260390363.db2.gz MQLJPRHACUFKOF-IYBDPMFKSA-N 2 0 356.511 0.447 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001338011675 1260536350 /nfs/dbraw/zinc/53/63/50/1260536350.db2.gz OLLDZJSVNJGOCH-AOIWGVFYSA-N 2 0 365.522 0.367 20 0 FCADRP O=C(CC[NH+]1CCCC1)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273119866 1260595405 /nfs/dbraw/zinc/59/54/05/1260595405.db2.gz BZNQBJKNUPLOTJ-QGZVFWFLSA-N 2 0 360.502 0.770 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C3)CC1 ZINC001273136543 1260600857 /nfs/dbraw/zinc/60/08/57/1260600857.db2.gz DJPQXRXLENYTOB-IRXDYDNUSA-N 2 0 362.518 0.872 20 0 FCADRP CCn1ccnc1C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCOC)CC3)[C@@H]2C1 ZINC001278272140 1260689496 /nfs/dbraw/zinc/68/94/96/1260689496.db2.gz GCJZARNUZNONII-HZPDHXFCSA-N 2 0 361.490 0.562 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cccnc4)CC3)[C@@H]2C1 ZINC001279177981 1260798576 /nfs/dbraw/zinc/79/85/76/1260798576.db2.gz BZFWHMHASSDFBN-QZTJIDSGSA-N 2 0 357.502 0.656 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279466565 1260873583 /nfs/dbraw/zinc/87/35/83/1260873583.db2.gz ADGDELIDCMAKMD-BRWVUGGUSA-N 2 0 367.490 0.298 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251752 1266366826 /nfs/dbraw/zinc/36/68/26/1266366826.db2.gz GGSGTTFQIBLWPM-QAPCUYQASA-N 2 0 358.486 0.665 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCCO4)CC3)[C@@H]2C1 ZINC001279473627 1260876294 /nfs/dbraw/zinc/87/62/94/1260876294.db2.gz ASRMQMJBDWBCJN-RCCFBDPRSA-N 2 0 364.534 0.630 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2c[nH+]ccc2N)C[C@@]2(CCCC(=O)N2)C1 ZINC001279617154 1260900018 /nfs/dbraw/zinc/90/00/18/1260900018.db2.gz RFIVAMNBODGPNR-LJQANCHMSA-N 2 0 360.506 0.212 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccccc3-n3cncn3)C[C@@H]21 ZINC001279713327 1260919277 /nfs/dbraw/zinc/91/92/77/1260919277.db2.gz STDJZBFKSBNTGK-OALUTQOASA-N 2 0 356.474 0.714 20 0 FCADRP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825939 1260939239 /nfs/dbraw/zinc/93/92/39/1260939239.db2.gz IBRDXCNQKVEZOI-BFJAYTPKSA-N 2 0 360.462 0.726 20 0 FCADRP COC(=O)CCC[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279883127 1260950279 /nfs/dbraw/zinc/95/02/79/1260950279.db2.gz BTUQIOWRHLWAKA-PVAVHDDUSA-N 2 0 367.490 0.629 20 0 FCADRP CCC1(C[N@H+]2C[C@@H]3C(C(=O)N4CCC([NH+](C)C)CC4)=NO[C@@H]3C2)COC1 ZINC001279905400 1260957128 /nfs/dbraw/zinc/95/71/28/1260957128.db2.gz QWIHUPHUZMNFIZ-JKSUJKDBSA-N 2 0 364.490 0.652 20 0 FCADRP CCOC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280091406 1260999389 /nfs/dbraw/zinc/99/93/89/1260999389.db2.gz PKXWHPUDHBAYMR-RDTXWAMCSA-N 2 0 363.462 0.658 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C(=O)NCC3COC3)n3nccc3C2)CC1 ZINC001280125426 1261010657 /nfs/dbraw/zinc/01/06/57/1261010657.db2.gz IRERZCCFDWUIRY-SFHVURJKSA-N 2 0 361.490 0.734 20 0 FCADRP C[C@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001280125408 1261011172 /nfs/dbraw/zinc/01/11/72/1261011172.db2.gz IMAYERXRRKIIQV-LBPRGKRZSA-N 2 0 370.448 0.861 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)[C@]23C[C@H]2CC[N@@H+]3CC2CC[NH2+]CC2)cn1 ZINC001280138414 1261014191 /nfs/dbraw/zinc/01/41/91/1261014191.db2.gz YPWIUARVSBCNMB-APWZRJJASA-N 3 0 360.506 0.847 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001280189505 1261025742 /nfs/dbraw/zinc/02/57/42/1261025742.db2.gz VDWLBUSTOOOGMH-KBMXLJTQSA-N 2 0 360.458 0.180 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]23)CC1 ZINC001280202880 1261031510 /nfs/dbraw/zinc/03/15/10/1261031510.db2.gz AYAFHDPLEFTYNF-YESZJQIVSA-N 2 0 364.490 0.795 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2COC[C@H](C1)N2CC[NH+]1CCCC1 ZINC001280225012 1261039767 /nfs/dbraw/zinc/03/97/67/1261039767.db2.gz YQYUDHYZYIEJDL-CEXWTWQISA-N 2 0 362.518 0.478 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280249207 1261042177 /nfs/dbraw/zinc/04/21/77/1261042177.db2.gz AXNNLVHISXALIB-QYZOEREBSA-N 2 0 365.518 0.960 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001332340410 1266382090 /nfs/dbraw/zinc/38/20/90/1266382090.db2.gz WWXSQTPMWAFYIA-GJZGRUSLSA-N 2 0 361.490 0.927 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC001281628991 1261128820 /nfs/dbraw/zinc/12/88/20/1261128820.db2.gz IGPZPXJYMZBVCR-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1c(C(=O)N(C)CC(=O)N2CCN(C)CC2)cnn1-c1ccncc1 ZINC001332370726 1266388352 /nfs/dbraw/zinc/38/83/52/1266388352.db2.gz PAMNBOHRAPZQMY-UHFFFAOYSA-N 2 0 356.430 0.422 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O)[NH+](C)C ZINC001281902722 1261271445 /nfs/dbraw/zinc/27/14/45/1261271445.db2.gz PWMTXVZAHJPAPO-RYRKJORJSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001332519675 1266421867 /nfs/dbraw/zinc/42/18/67/1266421867.db2.gz HRNPWUFUFTZBQQ-IRXDYDNUSA-N 2 0 362.526 0.374 20 0 FCADRP Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116660 1261637174 /nfs/dbraw/zinc/63/71/74/1261637174.db2.gz IBBIAXZMTAMSJN-HOTGVXAUSA-N 2 0 373.501 0.802 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001580290387 1278095985 /nfs/dbraw/zinc/09/59/85/1278095985.db2.gz IALPYVGOJCYMBK-NWDGAFQWSA-N 2 0 367.417 0.059 20 0 FCADRP [NH3+]CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001580302689 1278110648 /nfs/dbraw/zinc/11/06/48/1278110648.db2.gz NDAXEGZZFKJZTE-HZPDHXFCSA-N 2 0 364.494 0.637 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)CCC1 ZINC001289099303 1262106043 /nfs/dbraw/zinc/10/60/43/1262106043.db2.gz NJXJUDCEFDKZSC-HZPDHXFCSA-N 2 0 371.441 0.120 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001289520017 1262236006 /nfs/dbraw/zinc/23/60/06/1262236006.db2.gz OMBUMQBFDLAXPP-NUJGCVRESA-N 2 0 368.522 0.399 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001580354511 1278155137 /nfs/dbraw/zinc/15/51/37/1278155137.db2.gz FEZXFUMXYJAXPR-ZIAGYGMSSA-N 2 0 372.477 0.792 20 0 FCADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001295547261 1262769828 /nfs/dbraw/zinc/76/98/28/1262769828.db2.gz DESBVMPJWYCDLJ-ARFHVFGLSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298789441 1262941701 /nfs/dbraw/zinc/94/17/01/1262941701.db2.gz OMSQEGSJPSESKZ-SQWLQELKSA-N 2 0 364.494 0.019 20 0 FCADRP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298789811 1262941712 /nfs/dbraw/zinc/94/17/12/1262941712.db2.gz XVZOAYSIKUBLAC-SQWLQELKSA-N 2 0 370.457 0.842 20 0 FCADRP CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CC(NC3COC3)C2)CC1 ZINC001304209049 1263136400 /nfs/dbraw/zinc/13/64/00/1263136400.db2.gz UJOYZLVRABOKNV-UHFFFAOYSA-N 2 0 368.478 0.175 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CCC1 ZINC001479666935 1263322037 /nfs/dbraw/zinc/32/20/37/1263322037.db2.gz IRJBTBQPQNXGCM-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001479669727 1263327606 /nfs/dbraw/zinc/32/76/06/1263327606.db2.gz NDPBXIIBCNGOTD-SQNIBIBYSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001317079050 1263500592 /nfs/dbraw/zinc/50/05/92/1263500592.db2.gz VEHXOINFQGVRDE-AAVRWANBSA-N 2 0 367.494 0.188 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001580385838 1278204437 /nfs/dbraw/zinc/20/44/37/1278204437.db2.gz WPBTWZUNLJJIQS-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001318870964 1263620994 /nfs/dbraw/zinc/62/09/94/1263620994.db2.gz JZWZENBGRYDIQF-RCCFBDPRSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001492256553 1263646170 /nfs/dbraw/zinc/64/61/70/1263646170.db2.gz HANDILGOCZLULH-ZIAGYGMSSA-N 2 0 351.499 0.359 20 0 FCADRP NC(=O)C[C@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@@H](CC(N)=O)C3)COC2)C1 ZINC001320115398 1263763742 /nfs/dbraw/zinc/76/37/42/1263763742.db2.gz FEDBOQLHCZRRDN-IYBDPMFKSA-N 2 0 366.506 0.178 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC(OCC(N)=O)CC1)c1ccccc1 ZINC001320489490 1263802995 /nfs/dbraw/zinc/80/29/95/1263802995.db2.gz GCJLVVSESJRDHU-KRWDZBQOSA-N 2 0 362.474 0.372 20 0 FCADRP CCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001499060192 1264001508 /nfs/dbraw/zinc/00/15/08/1264001508.db2.gz ISYQUQLAYOSRPV-APWZRJJASA-N 2 0 362.522 0.972 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)N1CCOCC1 ZINC001321643034 1264020861 /nfs/dbraw/zinc/02/08/61/1264020861.db2.gz ONDPSQWDIKEXBR-ULQDDVLXSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219302 1264111455 /nfs/dbraw/zinc/11/14/55/1264111455.db2.gz GVJOQZCAWFGFLM-DMRKSPOLSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001501952570 1264157105 /nfs/dbraw/zinc/15/71/05/1264157105.db2.gz RZKXPYWZNVKPRL-QLFBSQMISA-N 2 0 357.520 0.390 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001502342282 1264168568 /nfs/dbraw/zinc/16/85/68/1264168568.db2.gz LZPTXRXNRWOQPI-RBSFLKMASA-N 2 0 364.494 0.019 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580403127 1278232006 /nfs/dbraw/zinc/23/20/06/1278232006.db2.gz LALZGBIRCIWVNV-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)n1 ZINC001323940839 1264544571 /nfs/dbraw/zinc/54/45/71/1264544571.db2.gz BQUSLAQPBCCQOB-UHFFFAOYSA-N 2 0 368.401 0.603 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001512351020 1264619485 /nfs/dbraw/zinc/61/94/85/1264619485.db2.gz BMPYWTDDKGPOMV-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)C1CCC1 ZINC001512980935 1264791972 /nfs/dbraw/zinc/79/19/72/1264791972.db2.gz HIUGDKYQQZUYGC-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001325426634 1264882472 /nfs/dbraw/zinc/88/24/72/1264882472.db2.gz GQPILQSVNLQFNY-NXHRZFHOSA-N 2 0 358.486 0.691 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001325626122 1264950452 /nfs/dbraw/zinc/95/04/52/1264950452.db2.gz IAAABYJEPRICNC-UHFFFAOYSA-N 2 0 361.490 0.801 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CCC[NH+](C)C ZINC001580403927 1278238926 /nfs/dbraw/zinc/23/89/26/1278238926.db2.gz WXUKRAIDZLRCMF-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001580406461 1278240561 /nfs/dbraw/zinc/24/05/61/1278240561.db2.gz KMAIYFOVKXZWRR-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP COCC(=O)NCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001326137523 1265063988 /nfs/dbraw/zinc/06/39/88/1265063988.db2.gz DBIUPOYSAFCZSK-UHFFFAOYSA-N 2 0 362.474 0.249 20 0 FCADRP 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 ZINC001513389304 1265086137 /nfs/dbraw/zinc/08/61/37/1265086137.db2.gz ULSVKFZRUMAPPA-QXSJWSMHSA-N 2 0 356.511 0.255 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1OC ZINC001513404957 1265105710 /nfs/dbraw/zinc/10/57/10/1265105710.db2.gz RENMQSDZEDRBDK-ARFHVFGLSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580408175 1278248364 /nfs/dbraw/zinc/24/83/64/1278248364.db2.gz DHGOOMOUXWFUOH-UMVBOHGHSA-N 2 0 357.462 0.801 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001513717373 1265266719 /nfs/dbraw/zinc/26/67/19/1265266719.db2.gz QPAYZBQXPKIJCO-HLLBOEOZSA-N 2 0 370.538 0.238 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001327430672 1265318996 /nfs/dbraw/zinc/31/89/96/1265318996.db2.gz FLBYIQZIABDNCC-INIZCTEOSA-N 2 0 373.501 0.801 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001327459188 1265328471 /nfs/dbraw/zinc/32/84/71/1265328471.db2.gz YGIQIVXRNUADBI-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001332572776 1266432722 /nfs/dbraw/zinc/43/27/22/1266432722.db2.gz JHDQOVRXEPXASQ-RCCFBDPRSA-N 2 0 365.522 0.176 20 0 FCADRP [NH3+]CCN(CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)Cc1ccccc1 ZINC001333354621 1266585097 /nfs/dbraw/zinc/58/50/97/1266585097.db2.gz PVCOIRKYKPPVFS-UHFFFAOYSA-N 3 0 368.485 0.891 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001333405058 1266594344 /nfs/dbraw/zinc/59/43/44/1266594344.db2.gz QCASBKZUYGEBRB-BZSNNMDCSA-N 2 0 358.486 0.521 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001524009214 1266675715 /nfs/dbraw/zinc/67/57/15/1266675715.db2.gz PQUFJFJTGWVUOB-SJORKVTESA-N 2 0 359.474 0.162 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001333885351 1266738766 /nfs/dbraw/zinc/73/87/66/1266738766.db2.gz SRFJNPBXDRRDTJ-INIZCTEOSA-N 2 0 362.474 0.247 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001334313102 1266942687 /nfs/dbraw/zinc/94/26/87/1266942687.db2.gz FLXLWQUOLLQLSL-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001334425381 1266994625 /nfs/dbraw/zinc/99/46/25/1266994625.db2.gz XDHFAFLNGOIARV-GDBMZVCRSA-N 2 0 359.474 0.491 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnnn2CCCN2CCOCC2)C1 ZINC001334460447 1267013405 /nfs/dbraw/zinc/01/34/05/1267013405.db2.gz AKRBGGMAVQYNHC-MRXNPFEDSA-N 2 0 351.499 0.564 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001334480109 1267027099 /nfs/dbraw/zinc/02/70/99/1267027099.db2.gz YFUKQYWXSOTEDB-KRWDZBQOSA-N 2 0 362.526 0.374 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001580447094 1278307654 /nfs/dbraw/zinc/30/76/54/1278307654.db2.gz QTZOPUBTVIEGCE-STQMWFEESA-N 2 0 370.461 0.475 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580446922 1278310824 /nfs/dbraw/zinc/31/08/24/1278310824.db2.gz NWQCZYHHDXFTKD-MELADBBJSA-N 2 0 370.461 0.427 20 0 FCADRP C[NH+]1CCC(CNC(=O)C2CC[NH+](C3CC3)CC2)(N2CCOCC2)CC1 ZINC001536154416 1267319085 /nfs/dbraw/zinc/31/90/85/1267319085.db2.gz ZRKOZTGUSVJRCA-UHFFFAOYSA-N 2 0 364.534 0.774 20 0 FCADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC001542572607 1267499919 /nfs/dbraw/zinc/49/99/19/1267499919.db2.gz YEDXNTNOGXAKHV-UHFFFAOYSA-N 2 0 367.494 0.790 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2N2CC[C@H](O)C2)CC1 ZINC001548964806 1267780819 /nfs/dbraw/zinc/78/08/19/1267780819.db2.gz CZKXQUVCOQVVLG-RCCFBDPRSA-N 2 0 352.523 0.553 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001549042901 1267793793 /nfs/dbraw/zinc/79/37/93/1267793793.db2.gz FEWMTZJGDPAUOH-HUUCEWRRSA-N 2 0 369.462 0.246 20 0 FCADRP [NH3+][C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549073530 1267799273 /nfs/dbraw/zinc/79/92/73/1267799273.db2.gz MNEXIWZYXGSFND-GUDVDZBRSA-N 2 0 369.469 0.391 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1=O ZINC001549134810 1267818845 /nfs/dbraw/zinc/81/88/45/1267818845.db2.gz SAYFUSSZMFOUEO-WOCWXWTJSA-N 2 0 362.518 0.907 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001549210539 1267857396 /nfs/dbraw/zinc/85/73/96/1267857396.db2.gz AGEMBJXHQVBTBW-GVDBMIGSSA-N 2 0 350.438 0.949 20 0 FCADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001549294625 1267890342 /nfs/dbraw/zinc/89/03/42/1267890342.db2.gz SYYPHFXZYFSOPE-LJQANCHMSA-N 2 0 359.474 0.360 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1n1ccnn1 ZINC001549554824 1267954276 /nfs/dbraw/zinc/95/42/76/1267954276.db2.gz WNQKZSFUEIKSAX-YYIAUSFCSA-N 2 0 361.494 0.792 20 0 FCADRP NC(=O)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC001338483701 1267955231 /nfs/dbraw/zinc/95/52/31/1267955231.db2.gz PKTGJFBPZQMTCC-HDICACEKSA-N 2 0 371.485 0.896 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549740192 1267984481 /nfs/dbraw/zinc/98/44/81/1267984481.db2.gz ILHRBOZDXUFNNF-IAGOWNOFSA-N 2 0 374.489 0.011 20 0 FCADRP O=C(N[C@H]1CCc2n[nH]cc2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338592389 1267997399 /nfs/dbraw/zinc/99/73/99/1267997399.db2.gz YLCPASLJNAYCQK-BHYGNILZSA-N 2 0 358.490 0.877 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998539 1268037820 /nfs/dbraw/zinc/03/78/20/1268037820.db2.gz AASJISQJNHIOHJ-PZJWPPBQSA-N 2 0 372.513 0.472 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001338718656 1268058896 /nfs/dbraw/zinc/05/88/96/1268058896.db2.gz GXXRKDBMZCUJQH-INIZCTEOSA-N 2 0 374.485 0.261 20 0 FCADRP Cc1c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001550076129 1268070498 /nfs/dbraw/zinc/07/04/98/1268070498.db2.gz IYACDWXEXCXOLF-HNNXBMFYSA-N 2 0 362.478 0.448 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC001550076442 1268070737 /nfs/dbraw/zinc/07/07/37/1268070737.db2.gz YKUAHMMTBMYTEC-HNNXBMFYSA-N 2 0 362.478 0.530 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC(CO[C@H]4CC[NH2+]C4)CC3)c21 ZINC001550090033 1268072061 /nfs/dbraw/zinc/07/20/61/1268072061.db2.gz CGCXGPOUIABCNZ-CVEARBPZSA-N 2 0 361.490 0.950 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)C[C@@H]2[NH3+])cc1 ZINC001550104083 1268075270 /nfs/dbraw/zinc/07/52/70/1268075270.db2.gz BBFWVNRZMVJQEB-PVAVHDDUSA-N 2 0 370.457 0.778 20 0 FCADRP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)c1nnn(C3CC[NH2+]CC3)c1C(F)F)C2 ZINC001550116203 1268076088 /nfs/dbraw/zinc/07/60/88/1268076088.db2.gz KCNPCKOEFKULAW-HWPZZCPQSA-N 2 0 354.405 0.822 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cnn1C ZINC001550113672 1268076973 /nfs/dbraw/zinc/07/69/73/1268076973.db2.gz YPADRLJVTVQDRA-HYVNUMGLSA-N 2 0 361.490 0.306 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)c3cn([C@H]4CCCC[C@@H]4[NH3+])nn3)C2)CC1 ZINC001550116227 1268078314 /nfs/dbraw/zinc/07/83/14/1268078314.db2.gz KONAPERKNWWGLA-VYDXJSESSA-N 2 0 361.494 0.182 20 0 FCADRP Cn1cc(C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001550117312 1268079771 /nfs/dbraw/zinc/07/97/71/1268079771.db2.gz YFOJTCBUIMHJLE-CVEARBPZSA-N 2 0 360.506 0.349 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550265883 1268099927 /nfs/dbraw/zinc/09/99/27/1268099927.db2.gz QVZLZJKRXOBLKC-HKUYNNGSSA-N 2 0 357.502 0.905 20 0 FCADRP O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001550285485 1268103710 /nfs/dbraw/zinc/10/37/10/1268103710.db2.gz QNDRMVQELSKYIV-KGLIPLIRSA-N 2 0 369.416 0.866 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH+](C)C ZINC001550285323 1268103926 /nfs/dbraw/zinc/10/39/26/1268103926.db2.gz JUDQSRWIKPTQNP-HMFIYZBKSA-N 3 0 351.539 0.898 20 0 FCADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[N@H+](C)C1 ZINC001550284099 1268104412 /nfs/dbraw/zinc/10/44/12/1268104412.db2.gz WPTIBACBVAXERB-XHSDSOJGSA-N 2 0 354.495 0.506 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001550286474 1268104431 /nfs/dbraw/zinc/10/44/31/1268104431.db2.gz VOFLJWWTUAXALK-ULQDDVLXSA-N 2 0 366.506 0.601 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC001550410000 1268112330 /nfs/dbraw/zinc/11/23/30/1268112330.db2.gz OESUJNUJBKLBKI-BRSBDYLESA-N 2 0 351.491 0.807 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC001550567952 1268134233 /nfs/dbraw/zinc/13/42/33/1268134233.db2.gz BTFAVEVAZMRZKN-VUQDICHWSA-N 2 0 374.529 0.443 20 0 FCADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001550719440 1268154646 /nfs/dbraw/zinc/15/46/46/1268154646.db2.gz GSSJYUMZSOLNPW-OHFALNGGSA-N 2 0 374.489 0.045 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C[C@H]2[NH3+])c1 ZINC001550732945 1268157314 /nfs/dbraw/zinc/15/73/14/1268157314.db2.gz VDIFEWPNTGGGCT-ZACQAIPSSA-N 2 0 354.458 0.743 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)C[C@@H]2C1 ZINC001550743316 1268160702 /nfs/dbraw/zinc/16/07/02/1268160702.db2.gz BITNVTWBSGSQQF-YALNPMBYSA-N 2 0 361.494 0.684 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001550748080 1268162014 /nfs/dbraw/zinc/16/20/14/1268162014.db2.gz QUNCIAOYMPLFKU-ZOBUZTSGSA-N 2 0 365.522 0.711 20 0 FCADRP [NH3+][C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC12CCOCC2 ZINC001550759465 1268164992 /nfs/dbraw/zinc/16/49/92/1268164992.db2.gz GGCPWUBBAIFFNE-GJZGRUSLSA-N 2 0 352.479 0.294 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913116 1268184120 /nfs/dbraw/zinc/18/41/20/1268184120.db2.gz JRNAKUKEVNOGBT-XYJFISCASA-N 2 0 351.491 0.809 20 0 FCADRP Cn1c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)nc2ccccc2c1=O ZINC001550913812 1268184466 /nfs/dbraw/zinc/18/44/66/1268184466.db2.gz PEVRNYVACAYHPB-QFBILLFUSA-N 2 0 369.469 0.670 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC001550911807 1268184593 /nfs/dbraw/zinc/18/45/93/1268184593.db2.gz DQNBUTGAQPSZLA-BLLLJJGKSA-N 2 0 365.865 0.910 20 0 FCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](c3nn(C)c(=O)n3C)C[C@@H]2O)CC1 ZINC001551223299 1268215068 /nfs/dbraw/zinc/21/50/68/1268215068.db2.gz GCYQBKRAMQWURY-YCPHGPKFSA-N 2 0 351.495 0.437 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC001551464404 1268257098 /nfs/dbraw/zinc/25/70/98/1268257098.db2.gz CXZLUFAAHFTXDQ-SDDRHHMPSA-N 2 0 350.385 0.676 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@@H]12 ZINC001551469374 1268257599 /nfs/dbraw/zinc/25/75/99/1268257599.db2.gz YQRJFDPNFPQNNZ-IPMKNSEASA-N 2 0 357.502 0.971 20 0 FCADRP C[N@@H+]1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]21 ZINC001551477837 1268258751 /nfs/dbraw/zinc/25/87/51/1268258751.db2.gz HZVCDPGCXJXPPA-AJYGOWOKSA-N 2 0 358.486 0.752 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492926 1268260758 /nfs/dbraw/zinc/26/07/58/1268260758.db2.gz YWHILBQXCROBIN-NPNMTCQASA-N 2 0 360.458 0.607 20 0 FCADRP [NH3+][C@]1(CO)CCCN(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551492689 1268261327 /nfs/dbraw/zinc/26/13/27/1268261327.db2.gz XXBALGFAGFBPCX-ATZDWAIDSA-N 2 0 360.458 0.738 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001551495410 1268261977 /nfs/dbraw/zinc/26/19/77/1268261977.db2.gz CUEXBCUYXOSBKF-PQUAAJSLSA-N 2 0 354.495 0.779 20 0 FCADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551495906 1268262134 /nfs/dbraw/zinc/26/21/34/1268262134.db2.gz BTAKHEADEZJHSP-PQUAAJSLSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001551553388 1268265771 /nfs/dbraw/zinc/26/57/71/1268265771.db2.gz GSUMQRVEFYDTFC-NYCLONFESA-N 2 0 365.522 0.792 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001551552479 1268265938 /nfs/dbraw/zinc/26/59/38/1268265938.db2.gz DWEQJHKZLKIJJZ-JXSMBQFASA-N 2 0 363.506 0.274 20 0 FCADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C2 ZINC001551554912 1268266966 /nfs/dbraw/zinc/26/69/66/1268266966.db2.gz KZJHYLYHWGPTDW-IWKCEXAMSA-N 2 0 363.506 0.274 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558799 1268269975 /nfs/dbraw/zinc/26/99/75/1268269975.db2.gz ZZGHDCKRVWYHKF-RDJZCZTQSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551557853 1268270092 /nfs/dbraw/zinc/27/00/92/1268270092.db2.gz XAFARQWOWFSCFU-SOLBZPMBSA-N 2 0 365.522 0.615 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551574781 1268274263 /nfs/dbraw/zinc/27/42/63/1268274263.db2.gz DDJOCVUKZBQTCI-BFYDXBDKSA-N 2 0 351.495 0.417 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C2 ZINC001551575678 1268274718 /nfs/dbraw/zinc/27/47/18/1268274718.db2.gz GPPIHULHVFUGDL-YEWFCNIMSA-N 2 0 363.506 0.404 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551575725 1268275878 /nfs/dbraw/zinc/27/58/78/1268275878.db2.gz GVHNIQFEUTYJJH-HKUYNNGSSA-N 2 0 371.485 0.736 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551576928 1268275880 /nfs/dbraw/zinc/27/58/80/1268275880.db2.gz KUPSPJIQFMFUJW-DPAVQSFQSA-N 2 0 351.495 0.402 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001551578906 1268276510 /nfs/dbraw/zinc/27/65/10/1268276510.db2.gz NLXKUUNVHJSBNE-CRNXPOROSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551581507 1268277321 /nfs/dbraw/zinc/27/73/21/1268277321.db2.gz RWAGKSJSCJMQJB-NUTKFTJISA-N 2 0 351.495 0.402 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C[C@H]21 ZINC001551580533 1268277535 /nfs/dbraw/zinc/27/75/35/1268277535.db2.gz QAZCVRQNIBGUAU-XSDHEKCYSA-N 2 0 363.506 0.402 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C[C@@H]21 ZINC001551580521 1268277747 /nfs/dbraw/zinc/27/77/47/1268277747.db2.gz QAZCVRQNIBGUAU-ORDFZIBCSA-N 2 0 363.506 0.402 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C[C@H]21 ZINC001551580514 1268278042 /nfs/dbraw/zinc/27/80/42/1268278042.db2.gz QAZCVRQNIBGUAU-HBPKQKSZSA-N 2 0 363.506 0.402 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551582097 1268278796 /nfs/dbraw/zinc/27/87/96/1268278796.db2.gz TUGNHBAPTBKFQJ-JLJPHGGASA-N 2 0 351.495 0.274 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001551598452 1268283537 /nfs/dbraw/zinc/28/35/37/1268283537.db2.gz XXZPYSLGYFNOGI-QANKJYHBSA-N 2 0 365.522 0.663 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001339843467 1268346663 /nfs/dbraw/zinc/34/66/63/1268346663.db2.gz AGTPWABQBUCWFQ-UHFFFAOYSA-N 2 0 373.457 0.505 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC001552008991 1268350503 /nfs/dbraw/zinc/35/05/03/1268350503.db2.gz CSZPPVUKLQPCHM-OKZBNKHCSA-N 2 0 367.538 0.517 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552098297 1268372482 /nfs/dbraw/zinc/37/24/82/1268372482.db2.gz UCERAXHMTSKUIU-MOPGFXCFSA-N 2 0 368.485 0.915 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552154727 1268395037 /nfs/dbraw/zinc/39/50/37/1268395037.db2.gz PUVPLSXFDWNJKH-SJORKVTESA-N 2 0 350.507 0.681 20 0 FCADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CC[NH+](CCn2cccn2)CC1 ZINC001552168101 1268400898 /nfs/dbraw/zinc/40/08/98/1268400898.db2.gz NXPQFOAFQRQOEP-MRXNPFEDSA-N 2 0 372.477 0.246 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552202891 1268409289 /nfs/dbraw/zinc/40/92/89/1268409289.db2.gz SKVBZHKWFLWQAL-FXAWDEMLSA-N 2 0 358.486 0.999 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001552237871 1268419179 /nfs/dbraw/zinc/41/91/79/1268419179.db2.gz CEXPDMUVIVKDDA-QZTJIDSGSA-N 2 0 358.486 0.564 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)Cn2cc([C@H]3C[NH2+]C[C@@H]3OC)nn2)CC1 ZINC001552258190 1268424896 /nfs/dbraw/zinc/42/48/96/1268424896.db2.gz RJNUFCSKLNNSMA-ZBFHGGJFSA-N 2 0 364.494 0.313 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283645 1268431565 /nfs/dbraw/zinc/43/15/65/1268431565.db2.gz SYIRBWDCJZXJSZ-LFEHRJTNSA-N 2 0 351.491 0.570 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C2(C[NH3+])CCCCC2)nn1 ZINC001552283793 1268431849 /nfs/dbraw/zinc/43/18/49/1268431849.db2.gz UPAGEFNENHSGAH-HIFRSBDPSA-N 2 0 350.467 0.100 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]([NH3+])Cc3ccccn3)ccn2)CC1 ZINC001340114173 1268440493 /nfs/dbraw/zinc/44/04/93/1268440493.db2.gz VAEAUFFGZLZZIS-QGZVFWFLSA-N 2 0 354.458 0.415 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001340132270 1268445895 /nfs/dbraw/zinc/44/58/95/1268445895.db2.gz MTWJRBLXCNKYAW-OAHLLOKOSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001340166734 1268456694 /nfs/dbraw/zinc/45/66/94/1268456694.db2.gz CUCXCVAEKCDZJI-QGZVFWFLSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1n1ccnn1 ZINC001552599409 1268483025 /nfs/dbraw/zinc/48/30/25/1268483025.db2.gz QMAPWSSUZRKLBP-IAGOWNOFSA-N 2 0 361.494 0.649 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552696067 1268523683 /nfs/dbraw/zinc/52/36/83/1268523683.db2.gz SWNNOAIXGYWDND-HOCLYGCPSA-N 2 0 350.467 0.561 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770520 1268543717 /nfs/dbraw/zinc/54/37/17/1268543717.db2.gz WLDDCAGAACJWHI-QGZVFWFLSA-N 2 0 366.554 0.044 20 0 FCADRP C[C@@H]1[C@@H](c2nnc(N3CC[C@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774634 1268543787 /nfs/dbraw/zinc/54/37/87/1268543787.db2.gz MBYZIBMDDCFLEH-IKGGRYGDSA-N 2 0 361.538 0.839 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)CC1 ZINC001552797645 1268549678 /nfs/dbraw/zinc/54/96/78/1268549678.db2.gz MTPYBBAKUUQBGW-IAGOWNOFSA-N 2 0 363.510 0.897 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)C1 ZINC001552800245 1268549798 /nfs/dbraw/zinc/54/97/98/1268549798.db2.gz XSYCXHVAKMDPDN-IKGGRYGDSA-N 2 0 363.510 0.895 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C(F)F)C[C@H]12 ZINC001552836329 1268556681 /nfs/dbraw/zinc/55/66/81/1268556681.db2.gz CLIBYCUNYBXDIO-ZMLRMANQSA-N 2 0 354.405 0.950 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC001552844167 1268558037 /nfs/dbraw/zinc/55/80/37/1268558037.db2.gz JPCOCGPRKWKZDQ-FXUDXRNXSA-N 2 0 362.861 0.413 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001340485617 1268564127 /nfs/dbraw/zinc/56/41/27/1268564127.db2.gz UKIGMQCUZTXFBJ-CABCVRRESA-N 2 0 369.535 0.205 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384813 1268640119 /nfs/dbraw/zinc/64/01/19/1268640119.db2.gz XELXSJSRDSZNMS-DNVCBOLYSA-N 2 0 360.458 0.542 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])c1 ZINC001553426748 1268648276 /nfs/dbraw/zinc/64/82/76/1268648276.db2.gz MODWYFRFPDLLSS-MSOLQXFVSA-N 2 0 368.485 0.915 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)cn2)CC1 ZINC001553428361 1268648326 /nfs/dbraw/zinc/64/83/26/1268648326.db2.gz RVLWUVHCAJTKCX-OSYLJGHBSA-N 2 0 358.490 0.570 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553438951 1268650196 /nfs/dbraw/zinc/65/01/96/1268650196.db2.gz IMQWODSVQBOTQZ-APWZRJJASA-N 2 0 358.490 0.775 20 0 FCADRP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001553441947 1268650602 /nfs/dbraw/zinc/65/06/02/1268650602.db2.gz BZGQWEPWOSIVQW-ZHALLVOQSA-N 2 0 366.506 0.637 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001553461622 1268656167 /nfs/dbraw/zinc/65/61/67/1268656167.db2.gz CSWGPGSTTMGXOK-ZACQAIPSSA-N 2 0 366.506 0.432 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001553512046 1268661482 /nfs/dbraw/zinc/66/14/82/1268661482.db2.gz VEITZNIKSQHYAF-CVEARBPZSA-N 2 0 352.479 0.308 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001553518125 1268662780 /nfs/dbraw/zinc/66/27/80/1268662780.db2.gz MEPQTCPLNYHVFZ-NUTKFTJISA-N 2 0 351.495 0.321 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@H]21 ZINC001553531934 1268664246 /nfs/dbraw/zinc/66/42/46/1268664246.db2.gz VGBCWUBACIYAAK-RBUKOAKNSA-N 2 0 357.502 0.937 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553528835 1268664571 /nfs/dbraw/zinc/66/45/71/1268664571.db2.gz VHWNOXYUWUFLRK-YQVWRLOYSA-N 2 0 365.522 0.224 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@@H]3C[C@@H]3C3CC[NH2+]CC3)n2)C1 ZINC001553547936 1268668160 /nfs/dbraw/zinc/66/81/60/1268668160.db2.gz IEAWZYJONNGQAA-DJIMGWMZSA-N 2 0 358.490 0.806 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001340892236 1268696073 /nfs/dbraw/zinc/69/60/73/1268696073.db2.gz CSHMTYNYDUPFOF-ARFHVFGLSA-N 2 0 350.507 0.870 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)nn1 ZINC001554035753 1268745398 /nfs/dbraw/zinc/74/53/98/1268745398.db2.gz MHKYYQSMQJIDQD-HOCLYGCPSA-N 2 0 368.401 0.199 20 0 FCADRP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001341335112 1268942286 /nfs/dbraw/zinc/94/22/86/1268942286.db2.gz SQFGUTWHVDOEHI-BBWFWOEESA-N 3 0 367.538 0.292 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1cnccn1 ZINC001341393614 1268971998 /nfs/dbraw/zinc/97/19/98/1268971998.db2.gz KPHRJGMDSSQNHM-UHFFFAOYSA-N 2 0 355.446 0.883 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1-c1nn[nH]n1 ZINC001580531982 1278457659 /nfs/dbraw/zinc/45/76/59/1278457659.db2.gz CQHASGVQNVJNLN-HUUCEWRRSA-N 2 0 371.489 0.987 20 0 FCADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001341579113 1269092927 /nfs/dbraw/zinc/09/29/27/1269092927.db2.gz GSRXCTRQXZMFMF-NOLJZWGESA-N 2 0 360.462 0.754 20 0 FCADRP [NH3+][C@H](CO)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001341627207 1269117165 /nfs/dbraw/zinc/11/71/65/1269117165.db2.gz MTKWTUFRTSXOKA-OAHLLOKOSA-N 2 0 374.407 0.653 20 0 FCADRP [NH3+][C@H](CO)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001341628261 1269118290 /nfs/dbraw/zinc/11/82/90/1269118290.db2.gz ZEMXMTJVISMYSV-QGZVFWFLSA-N 2 0 355.442 0.662 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001341633321 1269122809 /nfs/dbraw/zinc/12/28/09/1269122809.db2.gz AUDDBJAGHIHITE-CHWSQXEVSA-N 2 0 358.408 0.726 20 0 FCADRP [NH3+]CCNCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001341712093 1269164885 /nfs/dbraw/zinc/16/48/85/1269164885.db2.gz HOHLVSCMEINTSI-UHFFFAOYSA-N 2 0 354.882 0.848 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958418 1269279751 /nfs/dbraw/zinc/27/97/51/1269279751.db2.gz MWHJDLWTAKCUSP-AEFFLSMTSA-N 2 0 373.501 0.297 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001342218495 1269402213 /nfs/dbraw/zinc/40/22/13/1269402213.db2.gz IMSBXAFEIFMWHQ-NUJGCVRESA-N 2 0 364.465 0.877 20 0 FCADRP CC[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)C1 ZINC001564725408 1269431115 /nfs/dbraw/zinc/43/11/15/1269431115.db2.gz KJXWQOLCLORKSH-MGNMYUMUSA-N 2 0 365.522 0.806 20 0 FCADRP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342756196 1269591898 /nfs/dbraw/zinc/59/18/98/1269591898.db2.gz UWPWHJBVAWJDLL-KGLIPLIRSA-N 2 0 350.467 0.951 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568196091 1269721724 /nfs/dbraw/zinc/72/17/24/1269721724.db2.gz QNZBHDCRRLPVPA-NXHRZFHOSA-N 2 0 360.502 0.810 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCCC3)CCC2)CC[N@@H+]1C ZINC001570105363 1269840446 /nfs/dbraw/zinc/84/04/46/1269840446.db2.gz SFUPNKLZCBTTSG-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]CCN3C)CC2)cc1 ZINC001343408407 1269898992 /nfs/dbraw/zinc/89/89/92/1269898992.db2.gz YILDNSZEPOCGGS-IBGZPJMESA-N 2 0 360.502 0.927 20 0 FCADRP O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580581629 1278522655 /nfs/dbraw/zinc/52/26/55/1278522655.db2.gz NRMDBWGXJUECFZ-INIZCTEOSA-N 2 0 351.491 0.329 20 0 FCADRP O=C(NC[C@@]1(O)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001580635363 1278599019 /nfs/dbraw/zinc/59/90/19/1278599019.db2.gz NLXGMUGCIDUZEG-DOTOQJQBSA-N 2 0 353.413 0.984 20 0 FCADRP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574019804 1271000007 /nfs/dbraw/zinc/00/00/07/1271000007.db2.gz RDHFAOWHFOQCAQ-CVEARBPZSA-N 2 0 374.493 0.823 20 0 FCADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574039148 1271022860 /nfs/dbraw/zinc/02/28/60/1271022860.db2.gz RFBVRMOPZUWROQ-XJKCOSOUSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574255531 1271125764 /nfs/dbraw/zinc/12/57/64/1271125764.db2.gz PYZZZSLOVQGYLR-HNNXBMFYSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574260730 1271130794 /nfs/dbraw/zinc/13/07/94/1271130794.db2.gz VGWZKBKMNWOKBW-UHFFFAOYSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260340 1271132363 /nfs/dbraw/zinc/13/23/63/1271132363.db2.gz FPYDGNMDQLXZRD-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574264835 1271141636 /nfs/dbraw/zinc/14/16/36/1271141636.db2.gz PUJFWMGBBIHQIC-IYBDPMFKSA-N 2 0 357.462 0.944 20 0 FCADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288938 1271164702 /nfs/dbraw/zinc/16/47/02/1271164702.db2.gz UXDYJZHKDKUWPD-XJKSGUPXSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574672215 1271476054 /nfs/dbraw/zinc/47/60/54/1271476054.db2.gz UVLQRKAZESZMLX-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574805399 1271544381 /nfs/dbraw/zinc/54/43/81/1271544381.db2.gz RWBOHRCQOZLZMT-WFASDCNBSA-N 2 0 370.461 0.544 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574830646 1271578165 /nfs/dbraw/zinc/57/81/65/1271578165.db2.gz HGNJWPLHACLGON-WFASDCNBSA-N 2 0 360.466 0.434 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574854627 1271607185 /nfs/dbraw/zinc/60/71/85/1271607185.db2.gz RFVSQFZUTKTAEU-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870930 1271622202 /nfs/dbraw/zinc/62/22/02/1271622202.db2.gz FHYKICNVBAWSLC-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896185 1271659220 /nfs/dbraw/zinc/65/92/20/1271659220.db2.gz BVXAPDGDLQKCSX-UKRRQHHQSA-N 2 0 357.462 0.803 20 0 FCADRP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001575216437 1271796897 /nfs/dbraw/zinc/79/68/97/1271796897.db2.gz SDHQDVHAASSFFE-CQSZACIVSA-N 2 0 356.467 0.080 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391183 1272037697 /nfs/dbraw/zinc/03/76/97/1272037697.db2.gz HBYFAROSWBTWTB-ZIAGYGMSSA-N 2 0 369.473 0.945 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419483 1272075485 /nfs/dbraw/zinc/07/54/85/1272075485.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 0 364.494 0.163 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001575430433 1272098656 /nfs/dbraw/zinc/09/86/56/1272098656.db2.gz DOQSXDKUFULMPP-UONOGXRCSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001575437370 1272107108 /nfs/dbraw/zinc/10/71/08/1272107108.db2.gz AMTLYYPDTGGANN-ZIAGYGMSSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565850 1272200862 /nfs/dbraw/zinc/20/08/62/1272200862.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 2 0 364.494 0.096 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001575701683 1272321523 /nfs/dbraw/zinc/32/15/23/1272321523.db2.gz FQOCJGWGFXCTKR-RHSMWYFYSA-N 2 0 364.494 0.631 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702730 1272328627 /nfs/dbraw/zinc/32/86/27/1272328627.db2.gz OYUOYPMVVMVSBF-RDJZCZTQSA-N 2 0 364.494 0.776 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1CC[NH+]1CCCC1 ZINC001575712342 1272352445 /nfs/dbraw/zinc/35/24/45/1272352445.db2.gz OPKFUEFCRWIWMT-GJZGRUSLSA-N 2 0 363.510 0.686 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@@H](C)[NH3+] ZINC001575714803 1272358078 /nfs/dbraw/zinc/35/80/78/1272358078.db2.gz CVVBYBLSOQAPQI-HUUCEWRRSA-N 2 0 363.510 0.828 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001575722358 1272380707 /nfs/dbraw/zinc/38/07/07/1272380707.db2.gz MQFFZDSXMSCZEA-IKGGRYGDSA-N 2 0 353.507 0.885 20 0 FCADRP C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCCCC1 ZINC001575933939 1272567361 /nfs/dbraw/zinc/56/73/61/1272567361.db2.gz XXBHAIHPDJVGDP-SOUVJXGZSA-N 2 0 363.510 0.669 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001576046961 1272772396 /nfs/dbraw/zinc/77/23/96/1272772396.db2.gz OYPPIVKEGASPSL-KGLIPLIRSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]n2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058791 1272794220 /nfs/dbraw/zinc/79/42/20/1272794220.db2.gz PTFLTXOSFGPOPG-CABCVRRESA-N 2 0 364.494 0.427 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576233133 1273000142 /nfs/dbraw/zinc/00/01/42/1273000142.db2.gz XSLPNRFITDFYOW-DOMZBBRYSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576249359 1273028369 /nfs/dbraw/zinc/02/83/69/1273028369.db2.gz XKBNHMKXMVBGKU-AAEUAGOBSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576254356 1273034848 /nfs/dbraw/zinc/03/48/48/1273034848.db2.gz CNEDBTHAWCKMQY-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP CC1(C)CC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)CC(C)(C)[NH2+]1 ZINC001576396062 1273234060 /nfs/dbraw/zinc/23/40/60/1273234060.db2.gz VADZSIJYXZUFDX-KWCYVHTRSA-N 2 0 357.520 0.435 20 0 FCADRP CC[C@H](C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576482901 1273324779 /nfs/dbraw/zinc/32/47/79/1273324779.db2.gz OZHZBHKIRYSVET-IUODEOHRSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483956 1273325722 /nfs/dbraw/zinc/32/57/22/1273325722.db2.gz DKKWQMBFTBJGNO-DOMZBBRYSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@@H](C(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576492143 1273349617 /nfs/dbraw/zinc/34/96/17/1273349617.db2.gz KRWRRSSSBPGATH-HNNXBMFYSA-N 2 0 372.477 0.949 20 0 FCADRP CC[C@H](C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576496846 1273354694 /nfs/dbraw/zinc/35/46/94/1273354694.db2.gz AEXXXLKUDLDHSP-OAHLLOKOSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@@H](C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576499008 1273359710 /nfs/dbraw/zinc/35/97/10/1273359710.db2.gz GOSHUBUYUBZQJD-AWEZNQCLSA-N 2 0 358.450 0.393 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576505410 1273372965 /nfs/dbraw/zinc/37/29/65/1273372965.db2.gz GQMCLOSDRVQUOB-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576506698 1273377812 /nfs/dbraw/zinc/37/78/12/1273377812.db2.gz SNJJFQVZYKFXGK-XEZPLFJOSA-N 2 0 372.477 0.639 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@](C)(C[NH2+]Cc3cnn[nH]3)C2)cn1 ZINC001576749273 1273619532 /nfs/dbraw/zinc/61/95/32/1273619532.db2.gz CKSQTLQLNJWSDL-QGZVFWFLSA-N 2 0 360.466 0.205 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3cnn[nH]3)C2)n1 ZINC001576749255 1273620743 /nfs/dbraw/zinc/62/07/43/1273620743.db2.gz BRDCBJQINXNVSG-KRWDZBQOSA-N 2 0 360.466 0.205 20 0 FCADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576785340 1273678229 /nfs/dbraw/zinc/67/82/29/1273678229.db2.gz KRVSTDRGIFZXPJ-GFCCVEGCSA-N 2 0 358.450 0.475 20 0 FCADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576794687 1273696892 /nfs/dbraw/zinc/69/68/92/1273696892.db2.gz FVHJRIJBKOQJNV-CQSZACIVSA-N 2 0 372.477 0.641 20 0 FCADRP C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC[NH+]1CCCC1 ZINC001576798921 1273705256 /nfs/dbraw/zinc/70/52/56/1273705256.db2.gz ZAJGNTSIGAFUED-GJZGRUSLSA-N 2 0 361.494 0.465 20 0 FCADRP C[N@H+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCc1c[nH]nn1 ZINC001576833765 1273760837 /nfs/dbraw/zinc/76/08/37/1273760837.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 0 364.494 0.429 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850002 1273799900 /nfs/dbraw/zinc/79/99/00/1273799900.db2.gz NZJPLQXRMWJPLR-KFWWJZLASA-N 2 0 361.494 0.464 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576884755 1273874162 /nfs/dbraw/zinc/87/41/62/1273874162.db2.gz ZOARXWXGXQIMRR-BFHRDPOASA-N 2 0 362.478 0.529 20 0 FCADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577165847 1274209433 /nfs/dbraw/zinc/20/94/33/1274209433.db2.gz QOJDDAAPKBSREK-HIFRSBDPSA-N 2 0 372.477 0.674 20 0 FCADRP CCCC[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)CC1 ZINC001577444565 1274411133 /nfs/dbraw/zinc/41/11/33/1274411133.db2.gz ASWYGPDXUMUEHZ-GASCZTMLSA-N 2 0 363.510 0.541 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577550529 1274489950 /nfs/dbraw/zinc/48/99/50/1274489950.db2.gz JVIXISCWWOQDKA-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554816 1274497495 /nfs/dbraw/zinc/49/74/95/1274497495.db2.gz VPWLHGGURBPOTF-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577561194 1274510206 /nfs/dbraw/zinc/51/02/06/1274510206.db2.gz SHSXPFFRJPEOTR-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568272 1274528065 /nfs/dbraw/zinc/52/80/65/1274528065.db2.gz OFAFEDALRRRFOF-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577568079 1274528211 /nfs/dbraw/zinc/52/82/11/1274528211.db2.gz MEQYFKYAMNZILW-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568698 1274529873 /nfs/dbraw/zinc/52/98/73/1274529873.db2.gz VKZBFRUCNMQAKS-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574356 1274541028 /nfs/dbraw/zinc/54/10/28/1274541028.db2.gz XGZKTHVLHCPUID-ZDUSSCGKSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664836 1274677327 /nfs/dbraw/zinc/67/73/27/1274677327.db2.gz JTLHZJWTMZSEQT-ZDUSSCGKSA-N 2 0 358.450 0.334 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667432 1274686243 /nfs/dbraw/zinc/68/62/43/1274686243.db2.gz CZHJADFJUPKPJN-HNNXBMFYSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670617 1274700410 /nfs/dbraw/zinc/70/04/10/1274700410.db2.gz XIHHNKCLJGQFQP-XJKSGUPXSA-N 2 0 370.461 0.571 20 0 FCADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001577675165 1274712909 /nfs/dbraw/zinc/71/29/09/1274712909.db2.gz WPLQPJPWCYDJKQ-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC001577694961 1274758193 /nfs/dbraw/zinc/75/81/93/1274758193.db2.gz HFYCCEBGYMNLJN-KRWDZBQOSA-N 2 0 355.504 0.936 20 0 FCADRP CC[N@H+](CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@H](C(N)=O)C1)C(C)C ZINC001577731129 1274805831 /nfs/dbraw/zinc/80/58/31/1274805831.db2.gz HORQDGVGRGOFRH-SOUVJXGZSA-N 2 0 363.510 0.525 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763952 1274848893 /nfs/dbraw/zinc/84/88/93/1274848893.db2.gz NABGZRMTKOHYPK-HIFRSBDPSA-N 2 0 361.494 0.499 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH2+]C)C[C@@H]1C ZINC001577780947 1274876604 /nfs/dbraw/zinc/87/66/04/1274876604.db2.gz HRNZVISHNVIBMV-CABCVRRESA-N 2 0 363.510 0.652 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849162 1274983218 /nfs/dbraw/zinc/98/32/18/1274983218.db2.gz DYKSGFJQUJOGGV-CYBMUJFWSA-N 2 0 360.466 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577852355 1274995100 /nfs/dbraw/zinc/99/51/00/1274995100.db2.gz PEMAGCOBGUWCOT-HNNXBMFYSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855576 1275005364 /nfs/dbraw/zinc/00/53/64/1275005364.db2.gz JVQQOLXOVSPHLM-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855833 1275009798 /nfs/dbraw/zinc/00/97/98/1275009798.db2.gz RDKZZKJSMKZVMF-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577856382 1275012372 /nfs/dbraw/zinc/01/23/72/1275012372.db2.gz XQCFCENQUUOFIA-ZFWWWQNUSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577863489 1275037941 /nfs/dbraw/zinc/03/79/41/1275037941.db2.gz WOEOPKGSEYUYGJ-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866362 1275041641 /nfs/dbraw/zinc/04/16/41/1275041641.db2.gz FWHHIXBJZXYZED-AWEZNQCLSA-N 2 0 372.477 0.936 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577882588 1275081717 /nfs/dbraw/zinc/08/17/17/1275081717.db2.gz HMTZFJSIPOQUQE-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882926 1275083965 /nfs/dbraw/zinc/08/39/65/1275083965.db2.gz PKHFJNAZKLYPIP-WBMJQRKESA-N 2 0 372.477 0.593 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577882771 1275084137 /nfs/dbraw/zinc/08/41/37/1275084137.db2.gz LLGLMATWDYBTIC-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577892848 1275102030 /nfs/dbraw/zinc/10/20/30/1275102030.db2.gz UIZXEOZEWBOJRW-UKRRQHHQSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577895843 1275106898 /nfs/dbraw/zinc/10/68/98/1275106898.db2.gz PRTNOCMORGOEHE-IUODEOHRSA-N 2 0 372.477 0.853 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577899115 1275109818 /nfs/dbraw/zinc/10/98/18/1275109818.db2.gz RICGDHGIXIUBHA-BETUJISGSA-N 2 0 358.450 0.393 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952496 1275174718 /nfs/dbraw/zinc/17/47/18/1275174718.db2.gz NLCCKBXMOBBPOV-INIZCTEOSA-N 2 0 373.461 0.135 20 0 FCADRP CCN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001578107000 1275410211 /nfs/dbraw/zinc/41/02/11/1275410211.db2.gz AKJNYHYFXKNESI-UHFFFAOYSA-N 2 0 357.462 0.901 20 0 FCADRP CCOCc1nnc(N(C)C2CC[NH2+]CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578127388 1275426245 /nfs/dbraw/zinc/42/62/45/1275426245.db2.gz VHQHMHJDQBMWDT-KRWDZBQOSA-N 2 0 352.483 0.069 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001578135957 1275434846 /nfs/dbraw/zinc/43/48/46/1275434846.db2.gz LIXBZVJYUFCSMK-UHFFFAOYSA-N 2 0 356.434 0.040 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCC[NH+]1CCCC1 ZINC001578136880 1275436081 /nfs/dbraw/zinc/43/60/81/1275436081.db2.gz YSASHHWRARBRRK-UHFFFAOYSA-N 2 0 372.477 0.820 20 0 FCADRP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001578144880 1275444604 /nfs/dbraw/zinc/44/46/04/1275444604.db2.gz SHBBTWAEEJQFMM-BZUAXINKSA-N 2 0 366.510 0.851 20 0 FCADRP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001578181873 1275471695 /nfs/dbraw/zinc/47/16/95/1275471695.db2.gz ZAOLZJWPZFIUKQ-UKRRQHHQSA-N 2 0 372.477 0.995 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220016 1275517239 /nfs/dbraw/zinc/51/72/39/1275517239.db2.gz VANULQQQXPNNRB-CZUORRHYSA-N 2 0 370.461 0.571 20 0 FCADRP CCc1nnc(N2CCC[C@H](C[NH3+])C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001578316982 1275658272 /nfs/dbraw/zinc/65/82/72/1275658272.db2.gz HLYGWETZJYCMKL-JKSUJKDBSA-N 2 0 350.511 0.984 20 0 FCADRP CCc1nsc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC001578336438 1275689583 /nfs/dbraw/zinc/68/95/83/1275689583.db2.gz PDQNYQPZDZDFDK-ZDUSSCGKSA-N 2 0 352.508 0.420 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001578397581 1275773351 /nfs/dbraw/zinc/77/33/51/1275773351.db2.gz RGJXDHINBDKCKB-GJZGRUSLSA-N 2 0 353.511 0.616 20 0 FCADRP C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1)c1ccco1 ZINC001578409042 1275783385 /nfs/dbraw/zinc/78/33/85/1275783385.db2.gz SRBFMIVNIDUBNB-ZIAGYGMSSA-N 2 0 373.461 0.535 20 0 FCADRP CC[C@@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578417955 1275786102 /nfs/dbraw/zinc/78/61/02/1275786102.db2.gz OQVPMLKSDBJWOF-QOZQQMKHSA-N 2 0 358.450 0.425 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447758 1275837774 /nfs/dbraw/zinc/83/77/74/1275837774.db2.gz VVIMISMRTFBYGJ-KCQAQPDRSA-N 2 0 372.477 0.933 20 0 FCADRP CN(C[C@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578525968 1275959803 /nfs/dbraw/zinc/95/98/03/1275959803.db2.gz VQRCRWYKGQJOMZ-BSXFFOKHSA-N 2 0 364.494 0.022 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@@]3(O)CCC[NH2+]CC3)CC2)CC1 ZINC001578532558 1275963166 /nfs/dbraw/zinc/96/31/66/1275963166.db2.gz LMAWUQWJXGTDBZ-LJQANCHMSA-N 2 0 352.523 0.367 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)CC1 ZINC001578533297 1275963688 /nfs/dbraw/zinc/96/36/88/1275963688.db2.gz DUYDOMCVWCPUID-DLBZAZTESA-N 2 0 358.552 0.405 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001578612085 1276047641 /nfs/dbraw/zinc/04/76/41/1276047641.db2.gz WKHHWZUHVHWBIK-MRXNPFEDSA-N 2 0 373.505 0.574 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+](C)C)C1 ZINC001578673384 1276125199 /nfs/dbraw/zinc/12/51/99/1276125199.db2.gz RFDLSRDRWCGKBN-HUUCEWRRSA-N 2 0 363.510 0.396 20 0 FCADRP O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001580829409 1279008421 /nfs/dbraw/zinc/00/84/21/1279008421.db2.gz UPUQQEAZJRMNCE-ZDUSSCGKSA-N 2 0 350.488 0.888 20 0 FCADRP C[NH2+]CCn1c(C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001578721830 1276195121 /nfs/dbraw/zinc/19/51/21/1276195121.db2.gz UKBJVCXUFZIIRB-KRWDZBQOSA-N 2 0 365.526 0.037 20 0 FCADRP COC(=O)C1([C@]2(O)CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778248 1276261253 /nfs/dbraw/zinc/26/12/53/1276261253.db2.gz RDCXTGATTSDLHP-AYBZRNKSSA-N 2 0 352.475 0.925 20 0 FCADRP COC(=O)c1ccc2c(c1)CC[C@H]([NH2+]Cc1c(C[NH3+])cnn1C)C(=O)N2 ZINC001578874757 1276401691 /nfs/dbraw/zinc/40/16/91/1276401691.db2.gz QRLJJUQJTMLBIP-HNNXBMFYSA-N 2 0 357.414 0.709 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578962165 1276504987 /nfs/dbraw/zinc/50/49/87/1276504987.db2.gz HVSCKMOZCRRSBQ-CYBMUJFWSA-N 2 0 370.461 0.428 20 0 FCADRP COC[C@@H](CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)OC ZINC001578960934 1276505413 /nfs/dbraw/zinc/50/54/13/1276505413.db2.gz QHUWTNBFJIZNKJ-IXDOHACOSA-N 2 0 354.495 0.648 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578971503 1276515885 /nfs/dbraw/zinc/51/58/85/1276515885.db2.gz HVYJAYMMXMNLDT-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC[NH+](C)C ZINC001578972915 1276518145 /nfs/dbraw/zinc/51/81/45/1276518145.db2.gz DUJDUEWAUVJIEP-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578973700 1276520864 /nfs/dbraw/zinc/52/08/64/1276520864.db2.gz YOWTZZBVGFBKDP-UHFFFAOYSA-N 2 0 357.462 0.897 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001578974352 1276522965 /nfs/dbraw/zinc/52/29/65/1276522965.db2.gz LLIYWRIXSFQOOE-CALCHBBNSA-N 2 0 369.473 0.994 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578975736 1276526463 /nfs/dbraw/zinc/52/64/63/1276526463.db2.gz GBEQQOQSRHPMOH-ZDUSSCGKSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578976119 1276526508 /nfs/dbraw/zinc/52/65/08/1276526508.db2.gz OAHLEBBRMBGGCM-UHFFFAOYSA-N 2 0 358.450 0.689 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578976965 1276530133 /nfs/dbraw/zinc/53/01/33/1276530133.db2.gz HNFUYITXYKMGHA-MRXNPFEDSA-N 2 0 373.461 0.135 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001578978737 1276537244 /nfs/dbraw/zinc/53/72/44/1276537244.db2.gz NIDCXVQIOFLRRU-HNNXBMFYSA-N 2 0 370.461 0.689 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979215 1276538738 /nfs/dbraw/zinc/53/87/38/1276538738.db2.gz XRBYLNOTIUKZGB-UKRRQHHQSA-N 2 0 372.477 0.722 20 0 FCADRP CN(C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578981850 1276543927 /nfs/dbraw/zinc/54/39/27/1276543927.db2.gz AHBBKOUHZJSKLU-CQSZACIVSA-N 2 0 372.477 0.888 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578983900 1276550238 /nfs/dbraw/zinc/55/02/38/1276550238.db2.gz RZKHOCWEBKXMGX-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578985181 1276550683 /nfs/dbraw/zinc/55/06/83/1276550683.db2.gz DFYCZABPPBBFGK-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578985277 1276551530 /nfs/dbraw/zinc/55/15/30/1276551530.db2.gz FPIOPMRBVBCICW-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001578987631 1276557283 /nfs/dbraw/zinc/55/72/83/1276557283.db2.gz LYYYYLBDEGYQCV-XMQYKBBCSA-N 2 0 370.461 0.402 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578987846 1276559175 /nfs/dbraw/zinc/55/91/75/1276559175.db2.gz UEWUAKVFNRHNKP-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987791 1276560252 /nfs/dbraw/zinc/56/02/52/1276560252.db2.gz RPOLVBDQCISBJY-CQSZACIVSA-N 2 0 372.477 0.936 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021271 1276598592 /nfs/dbraw/zinc/59/85/92/1276598592.db2.gz LKLWLZIPKKSPGZ-CVEARBPZSA-N 2 0 366.510 0.548 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCC[NH3+])C[C@H]1C ZINC001579039095 1276625023 /nfs/dbraw/zinc/62/50/23/1276625023.db2.gz QXWVXNNAYIOLEJ-MRXNPFEDSA-N 2 0 373.505 0.770 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@@H](C)[NH+](C)C ZINC001579080584 1276707817 /nfs/dbraw/zinc/70/78/17/1276707817.db2.gz CTLVLSDLCIXNQT-WCVJEAGWSA-N 2 0 366.510 0.737 20 0 FCADRP CON(C)c1nnc(C2CC[NH2+]CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001579100647 1276753523 /nfs/dbraw/zinc/75/35/23/1276753523.db2.gz VHPUURUXQOOPPB-UHFFFAOYSA-N 2 0 365.526 0.769 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001579120484 1276794385 /nfs/dbraw/zinc/79/43/85/1276794385.db2.gz FUESTKDREOTVRB-BSDSXHPESA-N 2 0 362.474 0.155 20 0 FCADRP COc1cc(CN2CC[NH+](C[C@@H](O)CC[NH3+])CC2)cc(OC)c1OC ZINC001579149389 1276883812 /nfs/dbraw/zinc/88/38/12/1276883812.db2.gz WGKBXSNXVROSSW-HNNXBMFYSA-N 2 0 353.463 0.540 20 0 FCADRP CN(CCNC(=O)C12CCC[NH+]1CCC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579166744 1276917021 /nfs/dbraw/zinc/91/70/21/1276917021.db2.gz JSDHZCVQWLILOO-UHFFFAOYSA-N 2 0 356.434 0.443 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nn[nH]n1 ZINC001579171358 1276926323 /nfs/dbraw/zinc/92/63/23/1276926323.db2.gz CIVKYOGTDDWYPP-QGZVFWFLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175683 1276933316 /nfs/dbraw/zinc/93/33/16/1276933316.db2.gz CVMZSDZNJZCRFR-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325256 1277141639 /nfs/dbraw/zinc/14/16/39/1277141639.db2.gz GFANYIZVDRFCHC-ZDUSSCGKSA-N 2 0 358.450 0.498 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327004 1277153385 /nfs/dbraw/zinc/15/33/85/1277153385.db2.gz NWHUBEQEGKDTIC-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579327849 1277154257 /nfs/dbraw/zinc/15/42/57/1277154257.db2.gz YALJGPKEHHMFKQ-OAHLLOKOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579329634 1277159895 /nfs/dbraw/zinc/15/98/95/1277159895.db2.gz SAJLZBUQSLRUHQ-NEPJUHHUSA-N 2 0 361.475 0.570 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331690 1277162947 /nfs/dbraw/zinc/16/29/47/1277162947.db2.gz GPYIXTPUKBFDOS-DLBZAZTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331627 1277163140 /nfs/dbraw/zinc/16/31/40/1277163140.db2.gz DGHWAZNWCGJCTP-RYUDHWBXSA-N 2 0 361.475 0.570 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333020 1277165385 /nfs/dbraw/zinc/16/53/85/1277165385.db2.gz NRQHUTFTTXFHPT-SGTLLEGYSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334006 1277170847 /nfs/dbraw/zinc/17/08/47/1277170847.db2.gz BBLTYVVJPANWBM-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334010 1277171044 /nfs/dbraw/zinc/17/10/44/1277171044.db2.gz UJVGBQUHSPVUSV-WBVHZDCISA-N 2 0 369.473 0.803 20 0 FCADRP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579335241 1277173221 /nfs/dbraw/zinc/17/32/21/1277173221.db2.gz OZENQXPOTXYUOK-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335265 1277176726 /nfs/dbraw/zinc/17/67/26/1277176726.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339353 1277183657 /nfs/dbraw/zinc/18/36/57/1277183657.db2.gz GBOCUDNOWGEOMH-OAGGEKHMSA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339976 1277184674 /nfs/dbraw/zinc/18/46/74/1277184674.db2.gz OTJFDPLCDXACDK-JYJNAYRXSA-N 2 0 355.446 0.555 20 0 FCADRP CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001579344247 1277194932 /nfs/dbraw/zinc/19/49/32/1277194932.db2.gz PNUXLFKMUCYWPL-HIFRSBDPSA-N 2 0 356.492 0.497 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345081 1277196612 /nfs/dbraw/zinc/19/66/12/1277196612.db2.gz UGLJVYYAHKWNKH-MLGOLLRUSA-N 2 0 370.461 0.332 20 0 FCADRP CN(CC[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC001579350085 1277205439 /nfs/dbraw/zinc/20/54/39/1277205439.db2.gz XJHSHCJCTCANFF-GOSISDBHSA-N 2 0 373.505 0.858 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354287 1277217597 /nfs/dbraw/zinc/21/75/97/1277217597.db2.gz YCURQHMLKIACMB-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001579358843 1277230022 /nfs/dbraw/zinc/23/00/22/1277230022.db2.gz KQGJCNFVORTXQN-OAHLLOKOSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359760 1277233389 /nfs/dbraw/zinc/23/33/89/1277233389.db2.gz CLJYCNYBGWTZIX-KBPBESRZSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361654 1277239750 /nfs/dbraw/zinc/23/97/50/1277239750.db2.gz PNKHLTOODXSULP-OWCLPIDISA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363198 1277240919 /nfs/dbraw/zinc/24/09/19/1277240919.db2.gz XMVDKEKUWUOUMB-LZWOXQAQSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363196 1277240935 /nfs/dbraw/zinc/24/09/35/1277240935.db2.gz XMVDKEKUWUOUMB-IIAWOOMASA-N 2 0 355.446 0.698 20 0 FCADRP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001579404428 1277286213 /nfs/dbraw/zinc/28/62/13/1277286213.db2.gz LRHBMNLJYFDQRI-GDBMZVCRSA-N 2 0 374.493 0.327 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001713763939 1287296567 /nfs/dbraw/zinc/29/65/67/1287296567.db2.gz JZPOQLLQSXAHLH-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001579855385 1277936109 /nfs/dbraw/zinc/93/61/09/1277936109.db2.gz IKZRXBKFVNBYSE-HZPDHXFCSA-N 2 0 373.461 0.134 20 0 FCADRP Cc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001579910860 1277958768 /nfs/dbraw/zinc/95/87/68/1277958768.db2.gz BZOCYUQJWCLJNF-QGZVFWFLSA-N 2 0 352.483 0.253 20 0 FCADRP Cn1cccc1-c1nnc(N2CCO[C@@H](C[NH3+])C2)n1CC[NH+]1CCCCC1 ZINC001579974656 1277982324 /nfs/dbraw/zinc/98/23/24/1277982324.db2.gz QOYIDWWHMAIWAO-INIZCTEOSA-N 2 0 373.505 0.933 20 0 FCADRP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015149 1277990684 /nfs/dbraw/zinc/99/06/84/1277990684.db2.gz NQNHZEMBXOBXIW-GXTWGEPZSA-N 2 0 373.461 0.421 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001580098100 1278007021 /nfs/dbraw/zinc/00/70/21/1278007021.db2.gz IEYGKAKSELNJAX-JYJNAYRXSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CCC[NH+](C)C ZINC001580274558 1278069452 /nfs/dbraw/zinc/06/94/52/1278069452.db2.gz WXUKRAIDZLRCMF-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001580869808 1279072929 /nfs/dbraw/zinc/07/29/29/1279072929.db2.gz JXRMZECXDAUKMC-SJORKVTESA-N 2 0 353.488 0.425 20 0 FCADRP O=S(=O)(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC001580869789 1279073267 /nfs/dbraw/zinc/07/32/67/1279073267.db2.gz IGKGWFXPSSFGNB-SJORKVTESA-N 2 0 353.488 0.425 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCc1nnn(C(C)(C)C)n1 ZINC001714583316 1287326121 /nfs/dbraw/zinc/32/61/21/1287326121.db2.gz FCQARERGPQZRIH-HUUCEWRRSA-N 2 0 365.526 0.749 20 0 FCADRP Cc1cc(N(CCNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580950210 1279156421 /nfs/dbraw/zinc/15/64/21/1279156421.db2.gz HMSLLZJKGZBWQC-OAHLLOKOSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956073 1279160142 /nfs/dbraw/zinc/16/01/42/1279160142.db2.gz GREAPKKAVZIQLA-CQSZACIVSA-N 2 0 372.477 0.854 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959908 1279164221 /nfs/dbraw/zinc/16/42/21/1279164221.db2.gz BWZFLUOEMGCIGH-UKRRQHHQSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975890 1279175956 /nfs/dbraw/zinc/17/59/56/1279175956.db2.gz OKBIACARNXQJOQ-IUODEOHRSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977841 1279178114 /nfs/dbraw/zinc/17/81/14/1279178114.db2.gz SYEVMAHKLIKEDP-CTASWTNQSA-N 2 0 368.445 0.215 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989481 1279189667 /nfs/dbraw/zinc/18/96/67/1279189667.db2.gz NPKQCMZBKWQTMW-CHWSQXEVSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991761 1279196553 /nfs/dbraw/zinc/19/65/53/1279196553.db2.gz VPXXHXDGICNHFY-ZDUSSCGKSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996153 1279206896 /nfs/dbraw/zinc/20/68/96/1279206896.db2.gz WBWIDZIEBGRJKA-CQSZACIVSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581001617 1279217564 /nfs/dbraw/zinc/21/75/64/1279217564.db2.gz ILSYCCILNCSFHY-KGLIPLIRSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003526 1279220658 /nfs/dbraw/zinc/22/06/58/1279220658.db2.gz DLNZTXOUOSOXJW-CZUORRHYSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005709 1279222399 /nfs/dbraw/zinc/22/23/99/1279222399.db2.gz BEIKNKVQUODTNX-ZDUSSCGKSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007018 1279226506 /nfs/dbraw/zinc/22/65/06/1279226506.db2.gz ZKNZFDJPHLYDQZ-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012717 1279239065 /nfs/dbraw/zinc/23/90/65/1279239065.db2.gz AYXTVZDUTRMFNL-CZUORRHYSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012908 1279239333 /nfs/dbraw/zinc/23/93/33/1279239333.db2.gz DVCDREKMQLFDGL-CYBMUJFWSA-N 2 0 360.466 0.591 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013204 1279239349 /nfs/dbraw/zinc/23/93/49/1279239349.db2.gz KORCEVBHUCKYGB-CYBMUJFWSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013656 1279240426 /nfs/dbraw/zinc/24/04/26/1279240426.db2.gz UVPIAIPLFBKRRP-JSGCOSHPSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581017767 1279247619 /nfs/dbraw/zinc/24/76/19/1279247619.db2.gz SHIUONUCUAEQAN-SFHVURJKSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024030 1279254809 /nfs/dbraw/zinc/25/48/09/1279254809.db2.gz ZLGMRMWTTSLLDS-AWEZNQCLSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025895 1279257874 /nfs/dbraw/zinc/25/78/74/1279257874.db2.gz IJKJHTVLAUZAAG-AWEZNQCLSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025230 1279257929 /nfs/dbraw/zinc/25/79/29/1279257929.db2.gz RKJZBLLARMTLEK-LBPRGKRZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027720 1279260793 /nfs/dbraw/zinc/26/07/93/1279260793.db2.gz VWZZQHCZNSFQMX-JSGCOSHPSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036070 1279271351 /nfs/dbraw/zinc/27/13/51/1279271351.db2.gz PJRHEOZBCJGZBL-WFASDCNBSA-N 2 0 356.434 0.099 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582053831 1280977700 /nfs/dbraw/zinc/97/77/00/1280977700.db2.gz RKAMUEHCVWHXEL-CQSZACIVSA-N 2 0 370.461 0.572 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582097760 1281052119 /nfs/dbraw/zinc/05/21/19/1281052119.db2.gz MOMOAUHMMNAXQU-UHFFFAOYSA-N 2 0 369.473 0.997 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582098021 1281052929 /nfs/dbraw/zinc/05/29/29/1281052929.db2.gz YRMHSYDDPDSGMX-HNNXBMFYSA-N 2 0 355.446 0.653 20 0 FCADRP O=C(NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001582390576 1281452534 /nfs/dbraw/zinc/45/25/34/1281452534.db2.gz MMSWIGIYOQTHSZ-UHFFFAOYSA-N 2 0 367.457 0.701 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C[C@H]1C[NH3+] ZINC001603847996 1287518006 /nfs/dbraw/zinc/51/80/06/1287518006.db2.gz VQKQPEGYQAWPFV-BARDWOONSA-N 2 0 360.462 0.912 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001604270453 1287597599 /nfs/dbraw/zinc/59/75/99/1287597599.db2.gz FBXPWQFZIFKYNU-MRXNPFEDSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589630191 1282920985 /nfs/dbraw/zinc/92/09/85/1282920985.db2.gz PEJCDQRUXJYZLW-INIZCTEOSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC[NH+](C)C ZINC001589828311 1283067042 /nfs/dbraw/zinc/06/70/42/1283067042.db2.gz OJLMAYTYNYJVDS-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC001589869589 1283102444 /nfs/dbraw/zinc/10/24/44/1283102444.db2.gz IABAMRUSPJSKBS-CABCVRRESA-N 2 0 360.462 0.928 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001590210926 1283338091 /nfs/dbraw/zinc/33/80/91/1283338091.db2.gz WTQGUPCMRBPJMP-GXTWGEPZSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001590270640 1283395571 /nfs/dbraw/zinc/39/55/71/1283395571.db2.gz GFNRLVNEGWFRPV-LBPRGKRZSA-N 2 0 361.425 0.553 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001590270722 1283395586 /nfs/dbraw/zinc/39/55/86/1283395586.db2.gz KETXTCVYJCIRKF-GFCCVEGCSA-N 2 0 361.425 0.553 20 0 FCADRP CC[C@@H](C(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590370724 1283506100 /nfs/dbraw/zinc/50/61/00/1283506100.db2.gz SCVKHVFXOVVZKG-AWEZNQCLSA-N 2 0 360.466 0.853 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1 ZINC001719069217 1287652219 /nfs/dbraw/zinc/65/22/19/1287652219.db2.gz HBFPAFVOOGXINA-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495039 1283623377 /nfs/dbraw/zinc/62/33/77/1283623377.db2.gz KSRXEZWTHDRHFY-BZUAXINKSA-N 2 0 366.506 0.031 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001590734095 1283769800 /nfs/dbraw/zinc/76/98/00/1283769800.db2.gz XWCWCLMDLFIMEI-HNNXBMFYSA-N 2 0 372.477 0.750 20 0 FCADRP CC[C@@H](C(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590855752 1283928877 /nfs/dbraw/zinc/92/88/77/1283928877.db2.gz FFWWTWAJUNINJK-LFAOLKIESA-N 2 0 358.450 0.417 20 0 FCADRP C[NH+](C)CCOCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591020927 1284076740 /nfs/dbraw/zinc/07/67/40/1284076740.db2.gz OJYGNCDAMYEZCT-UHFFFAOYSA-N 2 0 373.505 0.999 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001591022690 1284080287 /nfs/dbraw/zinc/08/02/87/1284080287.db2.gz OMYXCUFWILHWIJ-UHFFFAOYSA-N 2 0 366.429 0.587 20 0 FCADRP C[N@H+](CCc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001591121720 1284196829 /nfs/dbraw/zinc/19/68/29/1284196829.db2.gz UTQIDUPOVPSHHY-HNNXBMFYSA-N 2 0 357.462 0.538 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175599 1284266279 /nfs/dbraw/zinc/26/62/79/1284266279.db2.gz QGTXSXXQNQSKOZ-CQSZACIVSA-N 2 0 372.477 0.724 20 0 FCADRP C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591175724 1284266704 /nfs/dbraw/zinc/26/67/04/1284266704.db2.gz SOYFDBCLDIDGQB-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187346 1284299194 /nfs/dbraw/zinc/29/91/94/1284299194.db2.gz QJWBOJLVCLNTIU-KZSQQDEKSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187537 1284300578 /nfs/dbraw/zinc/30/05/78/1284300578.db2.gz YFDLOCFGRINKFH-YPQKKHBXSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196012 1284316517 /nfs/dbraw/zinc/31/65/17/1284316517.db2.gz ZVKLCBUJMGQMSW-PMPSAXMXSA-N 2 0 358.446 0.490 20 0 FCADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604680667 1287727084 /nfs/dbraw/zinc/72/70/84/1287727084.db2.gz PTIZDIBUEWYORP-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604681385 1287729562 /nfs/dbraw/zinc/72/95/62/1287729562.db2.gz XFCLHWGHNZRBMP-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001604707667 1287743899 /nfs/dbraw/zinc/74/38/99/1287743899.db2.gz CGSVJXRQXSRIOZ-UHFFFAOYSA-N 2 0 374.493 0.922 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001568 1285051540 /nfs/dbraw/zinc/05/15/40/1285051540.db2.gz CHIMTUNUJTYFIY-ZFWWWQNUSA-N 2 0 370.461 0.701 20 0 FCADRP O=C([C@@H]1CCC[N@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1)N1CC[NH2+]CC1 ZINC001592784113 1285707129 /nfs/dbraw/zinc/70/71/29/1285707129.db2.gz VHGCWAOPOWQQAN-QGZVFWFLSA-N 2 0 369.473 0.553 20 0 FCADRP O=C(CC[NH+]1CCCCC1)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592845259 1285752426 /nfs/dbraw/zinc/75/24/26/1285752426.db2.gz VYUUWTFDDGCXEQ-NSCUHMNNSA-N 2 0 370.461 0.644 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001592988912 1285873950 /nfs/dbraw/zinc/87/39/50/1285873950.db2.gz WZCNPVSACGSBHQ-MRXNPFEDSA-N 2 0 370.461 0.492 20 0 FCADRP O=C(NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001593070752 1285963975 /nfs/dbraw/zinc/96/39/75/1285963975.db2.gz GYVQABBRFMQUJL-UHFFFAOYSA-N 2 0 373.436 0.698 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001593511060 1286187828 /nfs/dbraw/zinc/18/78/28/1286187828.db2.gz FGMXKXQOJAIVLL-OFQRWUPVSA-N 2 0 358.446 0.680 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC001704208927 1286195282 /nfs/dbraw/zinc/19/52/82/1286195282.db2.gz QNLDYNXVDHJIBZ-GDBMZVCRSA-N 2 0 370.457 0.796 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001604854728 1287800134 /nfs/dbraw/zinc/80/01/34/1287800134.db2.gz UCBFQUSALRVFCK-IHRRRGAJSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860092 1287800989 /nfs/dbraw/zinc/80/09/89/1287800989.db2.gz DCAXXWFUYVERQE-CJNGLKHVSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001605436193 1287962913 /nfs/dbraw/zinc/96/29/13/1287962913.db2.gz VYBRRMSHPUHNJW-CYBMUJFWSA-N 2 0 370.461 0.476 20 0 FCADRP Cc1cc(N(C)CCN(C)C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688324 1288052001 /nfs/dbraw/zinc/05/20/01/1288052001.db2.gz NFKHNTFXFPYFIA-UHFFFAOYSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726677 1288063690 /nfs/dbraw/zinc/06/36/90/1288063690.db2.gz JYNRTFQZBQMTLK-CZUORRHYSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NCCCNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733626 1288065807 /nfs/dbraw/zinc/06/58/07/1288065807.db2.gz IBMHKANLMZKVSY-UHFFFAOYSA-N 2 0 358.450 0.252 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC001721107062 1288292895 /nfs/dbraw/zinc/29/28/95/1288292895.db2.gz ODSFEFXIFVRBQS-GDBMZVCRSA-N 2 0 370.457 0.796 20 0 FCADRP COc1ccc(F)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732646999 1288588333 /nfs/dbraw/zinc/58/83/33/1288588333.db2.gz WMEPFBHKRGZELZ-UHOFOFEASA-N 2 0 353.438 0.741 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC001733245901 1288604570 /nfs/dbraw/zinc/60/45/70/1288604570.db2.gz WBICKEPNZUXFFS-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574587 1288619519 /nfs/dbraw/zinc/61/95/19/1288619519.db2.gz YYHZLMUSJWJHQK-MDMSPXHWSA-N 2 0 364.534 0.972 20 0 FCADRP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607099023 1288661106 /nfs/dbraw/zinc/66/11/06/1288661106.db2.gz CXSMIEKNOUXAEX-HNNXBMFYSA-N 2 0 351.414 0.862 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001735884751 1288989253 /nfs/dbraw/zinc/98/92/53/1288989253.db2.gz GEIDFRWTGMTKLV-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP O=C(C[NH2+][C@H]1CCCCc2cc(-c3nn[nH]n3)ccc21)N1CC[NH2+]CC1 ZINC001609527488 1289197777 /nfs/dbraw/zinc/19/77/77/1289197777.db2.gz DPQYJHMMBBXQHO-INIZCTEOSA-N 2 0 355.446 0.656 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001736232055 1289210883 /nfs/dbraw/zinc/21/08/83/1289210883.db2.gz SLVCNSDJQSMNDL-SQNIBIBYSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001736233840 1289212135 /nfs/dbraw/zinc/21/21/35/1289212135.db2.gz YWDIFDGEOQUGNZ-IKGGRYGDSA-N 2 0 350.507 0.587 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001691876342 1289331393 /nfs/dbraw/zinc/33/13/93/1289331393.db2.gz APDDJQIAIRWVQT-PQEBFOHHSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001691885565 1289333462 /nfs/dbraw/zinc/33/34/62/1289333462.db2.gz FMPAQJAHROXKNK-YNEHKIRRSA-N 2 0 366.428 0.880 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001691937715 1289346535 /nfs/dbraw/zinc/34/65/35/1289346535.db2.gz CKACWZYZSSIDNP-DLBZAZTESA-N 2 0 362.518 0.969 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001692240536 1289435424 /nfs/dbraw/zinc/43/54/24/1289435424.db2.gz NCJDIIYLUKLPPC-SJORKVTESA-N 2 0 365.522 0.857 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692265325 1289439106 /nfs/dbraw/zinc/43/91/06/1289439106.db2.gz WFYNPFDLLKJXCI-HLLBOEOZSA-N 2 0 368.497 0.725 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001692267119 1289439953 /nfs/dbraw/zinc/43/99/53/1289439953.db2.gz FAPCTASBFDZFQJ-RYRKJORJSA-N 2 0 352.523 0.879 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692289130 1289444666 /nfs/dbraw/zinc/44/46/66/1289444666.db2.gz KGVTWJVNDRPHJJ-BBWFWOEESA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCNC(=O)NC(C)C)CC2)CC[N@@H+]1C ZINC001699652150 1289559733 /nfs/dbraw/zinc/55/97/33/1289559733.db2.gz WSOBYJKPDVWHCU-LSDHHAIUSA-N 2 0 353.511 0.663 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001702324014 1290047635 /nfs/dbraw/zinc/04/76/35/1290047635.db2.gz OREAQCNEVHGZQL-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001739585224 1290198865 /nfs/dbraw/zinc/19/88/65/1290198865.db2.gz XNZFCVNSZGOKIL-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001752941365 1290616070 /nfs/dbraw/zinc/61/60/70/1290616070.db2.gz HNCQBTOBMMGBST-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C(N)=O)c2)CC[N@@H+]1C ZINC001754882487 1290634276 /nfs/dbraw/zinc/63/42/76/1290634276.db2.gz FREQLPYLNJHYCI-RHSMWYFYSA-N 2 0 362.474 0.036 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001757474235 1290774675 /nfs/dbraw/zinc/77/46/75/1290774675.db2.gz ZWANWAQBBMEGPD-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP CC[NH+](CC)C1CCN(c2nnc(C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001764970525 1290887429 /nfs/dbraw/zinc/88/74/29/1290887429.db2.gz MUFXIEFCLKQOSS-SFHVURJKSA-N 2 0 350.511 0.964 20 0 FCADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001646019717 1291054003 /nfs/dbraw/zinc/05/40/03/1291054003.db2.gz FESWVUHNSPUORS-LBPRGKRZSA-N 2 0 369.432 0.578 20 0 FCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001646019716 1291054163 /nfs/dbraw/zinc/05/41/63/1291054163.db2.gz FESWVUHNSPUORS-GFCCVEGCSA-N 2 0 369.432 0.578 20 0 FCADRP COc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001656358090 1291515304 /nfs/dbraw/zinc/51/53/04/1291515304.db2.gz JRJJNUNLSGOONN-AWEZNQCLSA-N 2 0 350.463 0.285 20 0 FCADRP CN(CC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001667627395 1291942460 /nfs/dbraw/zinc/94/24/60/1291942460.db2.gz RWOOVUDIUZFXLM-ARFHVFGLSA-N 2 0 361.490 0.830 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782428 1292281670 /nfs/dbraw/zinc/28/16/70/1292281670.db2.gz JBQLVXNPQZWOPO-SJORKVTESA-N 2 0 355.527 0.016 20 0 FCADRP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001685106366 1292429817 /nfs/dbraw/zinc/42/98/17/1292429817.db2.gz JDPKCGNNOSBETG-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001685620533 1292575040 /nfs/dbraw/zinc/57/50/40/1292575040.db2.gz ZJIDFVTUWDEJNC-BZSNNMDCSA-N 2 0 368.522 0.510 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001689010963 1294566274 /nfs/dbraw/zinc/56/62/74/1294566274.db2.gz XKCSBIHWMQXUEB-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001689019075 1294569808 /nfs/dbraw/zinc/56/98/08/1294569808.db2.gz FIQJRHVQUUOUMT-IXDOHACOSA-N 2 0 366.506 0.204 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCOC)C1)[NH+](C)C ZINC001689034207 1294580485 /nfs/dbraw/zinc/58/04/85/1294580485.db2.gz OKKGLNZYUXOTSQ-BBWFWOEESA-N 2 0 351.495 0.681 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCn1cccn1 ZINC001689074417 1294594506 /nfs/dbraw/zinc/59/45/06/1294594506.db2.gz APNQSMSKDCGIMH-IAGOWNOFSA-N 2 0 361.490 0.432 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001689073228 1294594637 /nfs/dbraw/zinc/59/46/37/1294594637.db2.gz IAGYLGJUMKOMSH-DJIMGWMZSA-N 2 0 368.522 0.434 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001689076215 1294596990 /nfs/dbraw/zinc/59/69/90/1294596990.db2.gz SBFQVKHPTAEBTE-FVQBIDKESA-N 2 0 366.510 0.967 20 0 FCADRP C[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001689101892 1294619699 /nfs/dbraw/zinc/61/96/99/1294619699.db2.gz RJJOQMAKHRYRCD-INMHGKMJSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001689101893 1294620322 /nfs/dbraw/zinc/62/03/22/1294620322.db2.gz RJJOQMAKHRYRCD-VYDXJSESSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@@H]1CCC[NH2+]CC(N)=O ZINC001689132947 1294621335 /nfs/dbraw/zinc/62/13/35/1294621335.db2.gz MRPPLGBLRFLKLT-MDZRGWNJSA-N 2 0 350.507 0.955 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001689184669 1294653401 /nfs/dbraw/zinc/65/34/01/1294653401.db2.gz OGFUHOQNXITPPC-LSDHHAIUSA-N 2 0 351.495 0.323 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001689234827 1294694729 /nfs/dbraw/zinc/69/47/29/1294694729.db2.gz PAJZASRHUOCXAF-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001689239759 1294701889 /nfs/dbraw/zinc/70/18/89/1294701889.db2.gz ZHDNXCWBWATAJG-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](CNC(=O)c1occc1C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689449071 1294785098 /nfs/dbraw/zinc/78/50/98/1294785098.db2.gz GWKDFQSMIWOHLX-GZBFAFLISA-N 2 0 350.463 0.916 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC001689588122 1294802286 /nfs/dbraw/zinc/80/22/86/1294802286.db2.gz VHASKQLKRJGEIB-HRCADAONSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001690865349 1294891675 /nfs/dbraw/zinc/89/16/75/1294891675.db2.gz JXLXHIJDLYBMNJ-NXHRZFHOSA-N 2 0 360.502 0.904 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001691659319 1294907023 /nfs/dbraw/zinc/90/70/23/1294907023.db2.gz FMCXOZADXPPVSC-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691820117 1294928566 /nfs/dbraw/zinc/92/85/66/1294928566.db2.gz XQRDBZJZNDPNKU-WBVHZDCISA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001164829476 720317532 /nfs/dbraw/zinc/31/75/32/720317532.db2.gz MQYLRVDYDIKGPT-QZTJIDSGSA-N 2 0 370.501 0.991 20 0 FCADRP c1ncc(O[C@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@@H+]3C2)cn1 ZINC001164740899 720806693 /nfs/dbraw/zinc/80/66/93/720806693.db2.gz AWIGVWWUTGURBK-CABCVRRESA-N 2 0 353.430 0.295 20 0 FCADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866889 721059406 /nfs/dbraw/zinc/05/94/06/721059406.db2.gz GPJLXDKTLNTTKN-ZWKOTPCHSA-N 2 0 366.469 0.997 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164765739 721163856 /nfs/dbraw/zinc/16/38/56/721163856.db2.gz IDYRALTXHANCFL-NVXWUHKLSA-N 2 0 353.474 0.814 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926030 721871686 /nfs/dbraw/zinc/87/16/86/721871686.db2.gz PYTANNMYYFEKRS-SJORKVTESA-N 2 0 359.522 0.619 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070258418 837639681 /nfs/dbraw/zinc/63/96/81/837639681.db2.gz UCNHIYCARLFEAL-OAGGEKHMSA-N 2 0 352.458 0.711 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001070378155 837650730 /nfs/dbraw/zinc/65/07/30/837650730.db2.gz BJBIQOMDFROELJ-GMBSWORKSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171495 844087992 /nfs/dbraw/zinc/08/79/92/844087992.db2.gz CJVIQCLKARRQNR-GJYPPUQNSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379656527 836049836 /nfs/dbraw/zinc/04/98/36/836049836.db2.gz PKHXBOWEZHQEAZ-RDJZCZTQSA-N 2 0 352.504 0.779 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187766 836067038 /nfs/dbraw/zinc/06/70/38/836067038.db2.gz YPPKBXRXFMZENY-DOTOQJQBSA-N 2 0 352.504 0.637 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268574 844126742 /nfs/dbraw/zinc/12/67/42/844126742.db2.gz JDSMWLRHGFJDRC-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(CC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000745780044 836151205 /nfs/dbraw/zinc/15/12/05/836151205.db2.gz HRVIIHAVFJZQHD-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)CC1 ZINC000746190088 836165603 /nfs/dbraw/zinc/16/56/03/836165603.db2.gz FSKYZPRVBQPRNT-QGZVFWFLSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000747469672 836244715 /nfs/dbraw/zinc/24/47/15/836244715.db2.gz HUMUENCRQSJNQK-PBHICJAKSA-N 2 0 356.467 0.334 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348883 844154317 /nfs/dbraw/zinc/15/43/17/844154317.db2.gz MGKIQKBNOQMSGH-MJGOQNOKSA-N 2 0 353.507 0.772 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363372 844160720 /nfs/dbraw/zinc/16/07/20/844160720.db2.gz UNDWZDXCZNGXJX-FCEWJHQRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101400065 844174860 /nfs/dbraw/zinc/17/48/60/844174860.db2.gz FGNDSECJDNHVPH-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101400489 844175507 /nfs/dbraw/zinc/17/55/07/844175507.db2.gz YPRZUJCSIAEXQS-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC001101432410 844185526 /nfs/dbraw/zinc/18/55/26/844185526.db2.gz QTVWNZJXOKBDMW-AOIWGVFYSA-N 2 0 353.507 0.914 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435568 844185661 /nfs/dbraw/zinc/18/56/61/844185661.db2.gz XDIQJIDIUHGGPR-FCEWJHQRSA-N 2 0 352.523 0.975 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443272 844187106 /nfs/dbraw/zinc/18/71/06/844187106.db2.gz CAJHWXWISVZAQX-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101438749 844187198 /nfs/dbraw/zinc/18/71/98/844187198.db2.gz RDQZGEGXZGPCFA-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440971 844187291 /nfs/dbraw/zinc/18/72/91/844187291.db2.gz DSPOALPTHCEZLZ-MDZRGWNJSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001062241574 836729459 /nfs/dbraw/zinc/72/94/59/836729459.db2.gz WSLZXQSPMUOUMF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101474086 844199396 /nfs/dbraw/zinc/19/93/96/844199396.db2.gz GYLMACMXZCNPBM-MJGOQNOKSA-N 2 0 353.507 0.652 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476394 844200670 /nfs/dbraw/zinc/20/06/70/844200670.db2.gz QPAGBHVWYMPIDI-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065208031 836822264 /nfs/dbraw/zinc/82/22/64/836822264.db2.gz ZBSKUUUUASMGDX-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065210142 836823859 /nfs/dbraw/zinc/82/38/59/836823859.db2.gz AYPHSCKJZDIIQV-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP CNC(=O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001101542679 844209815 /nfs/dbraw/zinc/20/98/15/844209815.db2.gz DHSARKHBNVAJOD-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982690 844360500 /nfs/dbraw/zinc/36/05/00/844360500.db2.gz DHRAEBQKRJTFFZ-QBPKDAKJSA-N 2 0 373.563 0.836 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015537 844373876 /nfs/dbraw/zinc/37/38/76/844373876.db2.gz JQCBKWGHUWKICB-OAGGEKHMSA-N 2 0 358.502 0.877 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001102015709 844375197 /nfs/dbraw/zinc/37/51/97/844375197.db2.gz ORWWPWAGQPWZGM-FMKPAKJESA-N 2 0 354.474 0.679 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051858 844397378 /nfs/dbraw/zinc/39/73/78/844397378.db2.gz QGFPYJXSEAYOLI-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046338 844394509 /nfs/dbraw/zinc/39/45/09/844394509.db2.gz ZCMCCHFVDIBLNE-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077675590 839103998 /nfs/dbraw/zinc/10/39/98/839103998.db2.gz SJCZNMMUZBEJQS-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678939 839105554 /nfs/dbraw/zinc/10/55/54/839105554.db2.gz BYJBTGJGBVRUKH-CGTJXYLNSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077777645 839152406 /nfs/dbraw/zinc/15/24/06/839152406.db2.gz UVDRMRFIUGIOHG-FGTMMUONSA-N 2 0 353.507 0.837 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079145 844406964 /nfs/dbraw/zinc/40/69/64/844406964.db2.gz XTWLOVZZMRMCSU-ZACQAIPSSA-N 2 0 353.507 0.554 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090901 844410328 /nfs/dbraw/zinc/41/03/28/844410328.db2.gz JCTOAAJQKLLPCY-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001102104455 844416707 /nfs/dbraw/zinc/41/67/07/844416707.db2.gz XCVLMEFNLSGXDW-HUUCEWRRSA-N 2 0 353.511 0.426 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC001078403696 839456767 /nfs/dbraw/zinc/45/67/67/839456767.db2.gz GHRSRGJYGJMMCQ-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP O=C(N1CC2(CC[NH+](CCF)CC2)[C@H]2COC[C@H]21)C12CC[NH+](CC1)C2 ZINC001079270495 839503318 /nfs/dbraw/zinc/50/33/18/839503318.db2.gz VCXAZWDYHWAVEY-JKSUJKDBSA-N 2 0 351.466 0.991 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273932 839504091 /nfs/dbraw/zinc/50/40/91/839504091.db2.gz XKROFSCMKACPKJ-YESZJQIVSA-N 2 0 351.491 0.260 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273824 839504394 /nfs/dbraw/zinc/50/43/94/839504394.db2.gz RWNMSGHNPSLBDX-DLBZAZTESA-N 2 0 351.491 0.668 20 0 FCADRP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079717410 839580171 /nfs/dbraw/zinc/58/01/71/839580171.db2.gz HJSPQMCJZPUTBV-DDBAPUKQSA-N 2 0 353.507 0.816 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079806414 839598653 /nfs/dbraw/zinc/59/86/53/839598653.db2.gz GAPCYODKJRDVHB-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102294358 844459552 /nfs/dbraw/zinc/45/95/52/844459552.db2.gz UYPKGFDNESRMPX-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290431 844459601 /nfs/dbraw/zinc/45/96/01/844459601.db2.gz DQXMSRRFNRKNGR-GDBMZVCRSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290922 844459817 /nfs/dbraw/zinc/45/98/17/844459817.db2.gz ZAARTIIHNPJAGR-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080142877 839673012 /nfs/dbraw/zinc/67/30/12/839673012.db2.gz MCWVGJPVJRADFW-BFYDXBDKSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290662 844460073 /nfs/dbraw/zinc/46/00/73/844460073.db2.gz PHQJPIHXEDFJEL-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP COc1coc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)cc1=O ZINC001102320668 844466253 /nfs/dbraw/zinc/46/62/53/844466253.db2.gz NNGGXYAWNUNPML-ZIAGYGMSSA-N 2 0 351.447 0.784 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369824 844477216 /nfs/dbraw/zinc/47/72/16/844477216.db2.gz IARQTRRAZCYLGM-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370081 844477247 /nfs/dbraw/zinc/47/72/47/844477247.db2.gz QCBFKUVACLIMSB-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372806 844478816 /nfs/dbraw/zinc/47/88/16/844478816.db2.gz OQCCUOMYNNDXEI-HBUWYVDXSA-N 2 0 356.486 0.629 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102382332 844481702 /nfs/dbraw/zinc/48/17/02/844481702.db2.gz YOYBJJKTRQOVFH-KFWWJZLASA-N 2 0 352.479 0.160 20 0 FCADRP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686070 840000044 /nfs/dbraw/zinc/00/00/44/840000044.db2.gz DQFQWNMWCGWIBD-IAGOWNOFSA-N 2 0 351.495 0.920 20 0 FCADRP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001081796246 840034212 /nfs/dbraw/zinc/03/42/12/840034212.db2.gz LMGBCPVREHGCHM-IXDOHACOSA-N 2 0 357.470 0.805 20 0 FCADRP CCOCC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102453028 844503649 /nfs/dbraw/zinc/50/36/49/844503649.db2.gz XFUAPAGQEFXYRU-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001082059582 840167442 /nfs/dbraw/zinc/16/74/42/840167442.db2.gz WGSWHGLCRGLRIS-KZNAEPCWSA-N 2 0 353.507 0.981 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135070 840204151 /nfs/dbraw/zinc/20/41/51/840204151.db2.gz NMXCLKFHMIPMGY-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200915 840235684 /nfs/dbraw/zinc/23/56/84/840235684.db2.gz ADFWZBKUJCDSSR-QZTJIDSGSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479922 844519540 /nfs/dbraw/zinc/51/95/40/844519540.db2.gz NYAHBVBWSMTCLI-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082511845 840444607 /nfs/dbraw/zinc/44/46/07/840444607.db2.gz UBHPZFRYHSJEGD-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082557657 840465009 /nfs/dbraw/zinc/46/50/09/840465009.db2.gz WSDAIDZVJMMWRJ-QLFBSQMISA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513380 844544323 /nfs/dbraw/zinc/54/43/23/844544323.db2.gz ICNZMMPCOXFAII-KFWWJZLASA-N 2 0 363.449 0.673 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001082681565 840521373 /nfs/dbraw/zinc/52/13/73/840521373.db2.gz AXXNIXKKGULRKT-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001082719727 840535360 /nfs/dbraw/zinc/53/53/60/840535360.db2.gz HBHRUOATXUILPT-CZUORRHYSA-N 2 0 366.531 0.997 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082720214 840537129 /nfs/dbraw/zinc/53/71/29/840537129.db2.gz LVBLPVBPVWGJII-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082741212 840543057 /nfs/dbraw/zinc/54/30/57/840543057.db2.gz SQMMHBPTPYEXKI-HLLBOEOZSA-N 2 0 371.547 0.732 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102525760 844552683 /nfs/dbraw/zinc/55/26/83/844552683.db2.gz TWISDJDMFZRPTB-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001102532712 844555656 /nfs/dbraw/zinc/55/56/56/844555656.db2.gz ASYOECOTVQDPKL-LMMKCTJWSA-N 2 0 353.507 0.819 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082921053 840601953 /nfs/dbraw/zinc/60/19/53/840601953.db2.gz SHLMOFBWMZDXKG-VHDGCEQUSA-N 2 0 352.504 0.606 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082941798 840615401 /nfs/dbraw/zinc/61/54/01/840615401.db2.gz MTEYLDJHQJQJRR-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082943697 840616941 /nfs/dbraw/zinc/61/69/41/840616941.db2.gz XUDMOGQXEJHQPC-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)CC[N@@H+]1C ZINC001083085931 840698453 /nfs/dbraw/zinc/69/84/53/840698453.db2.gz UOSBKKLRUBRJPI-NRSFXHEJSA-N 2 0 351.491 0.665 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105930 840715373 /nfs/dbraw/zinc/71/53/73/840715373.db2.gz ASRIPUBPAAAWBY-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578282 844573469 /nfs/dbraw/zinc/57/34/69/844573469.db2.gz UEVCFLIJKOUMGN-HYVNUMGLSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579954 844574018 /nfs/dbraw/zinc/57/40/18/844574018.db2.gz YWBJGDUKZSFGCG-IXDOHACOSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234933 840819369 /nfs/dbraw/zinc/81/93/69/840819369.db2.gz CXTNIQHCXJYDNK-ZWKOTPCHSA-N 2 0 351.491 0.975 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083236329 840820830 /nfs/dbraw/zinc/82/08/30/840820830.db2.gz WNNKQVFDYQBVMX-BHYGNILZSA-N 2 0 355.479 0.044 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102601009 844591559 /nfs/dbraw/zinc/59/15/59/844591559.db2.gz GUCODYJVVUQOCC-HLLBOEOZSA-N 2 0 352.523 0.925 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601460 844591768 /nfs/dbraw/zinc/59/17/68/844591768.db2.gz DLEABGVOLLUOPC-HZPDHXFCSA-N 2 0 356.511 0.163 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001102602018 844593583 /nfs/dbraw/zinc/59/35/83/844593583.db2.gz ZISXOBFMSVATCT-RHSMWYFYSA-N 2 0 350.511 0.919 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601771 844594004 /nfs/dbraw/zinc/59/40/04/844594004.db2.gz PBOHPRWZGIYZDZ-JFIYKMOQSA-N 2 0 352.523 0.927 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083505922 841093532 /nfs/dbraw/zinc/09/35/32/841093532.db2.gz IRSFNEDRUVAGST-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523076 841120699 /nfs/dbraw/zinc/12/06/99/841120699.db2.gz LPRSHUCSGDEEBE-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)CN3CC[C@H](O)C3)(C1)CCC2 ZINC001275800348 861196172 /nfs/dbraw/zinc/19/61/72/861196172.db2.gz CKPKYQCHDZIMSK-RYQLBKOJSA-N 2 0 355.479 0.225 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275880807 861246247 /nfs/dbraw/zinc/24/62/47/861246247.db2.gz WNANLWLAEIUCRN-LJQANCHMSA-N 3 0 352.523 0.583 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1)[NH+](C)C ZINC001084970704 841974416 /nfs/dbraw/zinc/97/44/16/841974416.db2.gz QTBAXKUJBWUZNW-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1)[NH+](C)C ZINC001085024930 841993494 /nfs/dbraw/zinc/99/34/94/841993494.db2.gz PLFDDYDPPWXOBM-SOLBZPMBSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1)[NH+](C)C ZINC001085035333 841997200 /nfs/dbraw/zinc/99/72/00/841997200.db2.gz QTBAXKUJBWUZNW-PVAVHDDUSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085394071 842092123 /nfs/dbraw/zinc/09/21/23/842092123.db2.gz UIACRMQLSAZFHU-BZUAXINKSA-N 2 0 351.495 0.370 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085421721 842097295 /nfs/dbraw/zinc/09/72/95/842097295.db2.gz SNSWJNSBLSCTKH-HUUCEWRRSA-N 2 0 350.463 0.248 20 0 FCADRP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601613 842108522 /nfs/dbraw/zinc/10/85/22/842108522.db2.gz BQMZQCPAGZUXIO-KURKYZTESA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086371312 842128636 /nfs/dbraw/zinc/12/86/36/842128636.db2.gz AYABSCZETKNQBD-OXGONZEZSA-N 2 0 357.520 0.246 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC001086370890 842128724 /nfs/dbraw/zinc/12/87/24/842128724.db2.gz DMVIASAYEGDYJC-QUSNUVHPSA-N 2 0 350.507 0.822 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001086793692 842174706 /nfs/dbraw/zinc/17/47/06/842174706.db2.gz HDIAZPGNNKQJCX-USXIJHARSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001086875366 842186753 /nfs/dbraw/zinc/18/67/53/842186753.db2.gz PTOZRBQWCORLFM-GVDBMIGSSA-N 2 0 371.547 0.637 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087063081 842259453 /nfs/dbraw/zinc/25/94/53/842259453.db2.gz HWQHVVCMVGEOGX-FVQBIDKESA-N 2 0 351.451 0.507 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087100909 842289081 /nfs/dbraw/zinc/28/90/81/842289081.db2.gz KPBPULWNQDDULB-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087100801 842290269 /nfs/dbraw/zinc/29/02/69/842290269.db2.gz FJGYKIXPHQBXNH-KZNAEPCWSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001087246036 842324028 /nfs/dbraw/zinc/32/40/28/842324028.db2.gz WCJYLGSVXTXFIY-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087796816 842434181 /nfs/dbraw/zinc/43/41/81/842434181.db2.gz NRRRBJFFMOCWDK-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964040 842480921 /nfs/dbraw/zinc/48/09/21/842480921.db2.gz TYCPVCGFLHPNBP-IKGGRYGDSA-N 2 0 350.507 0.728 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130301 842538731 /nfs/dbraw/zinc/53/87/31/842538731.db2.gz HJYWAUDCPIXTLU-UAGQMJEPSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579438 842618148 /nfs/dbraw/zinc/61/81/48/842618148.db2.gz HDNTVFQPLBCVCZ-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091686376 843073387 /nfs/dbraw/zinc/07/33/87/843073387.db2.gz FKPVUVUQXJLKRB-OLMMMNRUSA-N 2 0 350.507 0.585 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910326 843122708 /nfs/dbraw/zinc/12/27/08/843122708.db2.gz SDZMFHZUUSPPNR-BEFAXECRSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014655 843140965 /nfs/dbraw/zinc/14/09/65/843140965.db2.gz CAQKJLKRBVPEOF-BEFAXECRSA-N 2 0 350.507 0.587 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302244 843182510 /nfs/dbraw/zinc/18/25/10/843182510.db2.gz UZTMGCSRPHAEOI-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093285536 843421045 /nfs/dbraw/zinc/42/10/45/843421045.db2.gz QTYVXHYCKMXJCJ-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CC(=O)OC(C)(C)CCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001276338478 861419548 /nfs/dbraw/zinc/41/95/48/861419548.db2.gz MVIHBHXUYJGXPR-UHFFFAOYSA-N 2 0 355.479 0.583 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1)[NH+](C)C ZINC001093858711 843480170 /nfs/dbraw/zinc/48/01/70/843480170.db2.gz IVUYNIDTPDKBFX-MGPQQGTHSA-N 2 0 352.483 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093961294 843496447 /nfs/dbraw/zinc/49/64/47/843496447.db2.gz YCJMPHZEUFUNPY-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094169872 843525232 /nfs/dbraw/zinc/52/52/32/843525232.db2.gz ZUCYHWDTCKITNC-BZUAXINKSA-N 2 0 369.531 0.201 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094219240 843531512 /nfs/dbraw/zinc/53/15/12/843531512.db2.gz GPBNKLPSTGHGOQ-HYVNUMGLSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1 ZINC001094224371 843532453 /nfs/dbraw/zinc/53/24/53/843532453.db2.gz HIOMRCVNMSOIAM-RBSFLKMASA-N 2 0 367.519 0.691 20 0 FCADRP COCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276368254 861431859 /nfs/dbraw/zinc/43/18/59/861431859.db2.gz QSRVHSZMBLHMFC-SFHVURJKSA-N 2 0 350.463 0.898 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103049738 844689468 /nfs/dbraw/zinc/68/94/68/844689468.db2.gz CESPZXKXZHQUPC-BRWVUGGUSA-N 2 0 361.502 0.749 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085180 844697456 /nfs/dbraw/zinc/69/74/56/844697456.db2.gz JRJJBDWFFIFLLA-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103433963 844757089 /nfs/dbraw/zinc/75/70/89/844757089.db2.gz PLGXOONCYOGCFJ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103644919 844794854 /nfs/dbraw/zinc/79/48/54/844794854.db2.gz YAMXULZFRKQRNX-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(N)=O ZINC001104345469 844895863 /nfs/dbraw/zinc/89/58/63/844895863.db2.gz IKUQYLXVMGEOEH-OWCLPIDISA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCCO ZINC001104350947 844896832 /nfs/dbraw/zinc/89/68/32/844896832.db2.gz SBXLUHJSAWNROB-IAGOWNOFSA-N 2 0 355.523 0.801 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449698 844912955 /nfs/dbraw/zinc/91/29/55/844912955.db2.gz BGZWGFPIDRIJAF-KYJSFNMBSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482553 844916560 /nfs/dbraw/zinc/91/65/60/844916560.db2.gz WAHATRVTGQNUPP-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)C1 ZINC001104573323 844922180 /nfs/dbraw/zinc/92/21/80/844922180.db2.gz RDNADXJORASBDF-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587575 844923075 /nfs/dbraw/zinc/92/30/75/844923075.db2.gz BCWVDKTYLWUGMT-DISONHOPSA-N 2 0 355.523 0.798 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001104678775 844932709 /nfs/dbraw/zinc/93/27/09/844932709.db2.gz BIMYVDLSZFVDKN-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001105010183 844968735 /nfs/dbraw/zinc/96/87/35/844968735.db2.gz BDQHGNKWMSSHBD-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001105007783 844968908 /nfs/dbraw/zinc/96/89/08/844968908.db2.gz GELQNXAKKLAJDK-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001105010220 844969173 /nfs/dbraw/zinc/96/91/73/844969173.db2.gz CNKGHZSOJZDRTH-OAGGEKHMSA-N 2 0 359.536 0.447 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105661879 845012304 /nfs/dbraw/zinc/01/23/04/845012304.db2.gz LMDOJOWKUNZSJB-RWQQGDIJSA-N 2 0 355.523 0.677 20 0 FCADRP CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105666659 845013521 /nfs/dbraw/zinc/01/35/21/845013521.db2.gz HRKKGPRNWYDFJF-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676298 845017565 /nfs/dbraw/zinc/01/75/65/845017565.db2.gz VLVZYCJZNVJIDF-PSBWJHGTSA-N 2 0 355.523 0.675 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)CC[N@@H+]1C ZINC001106148659 845115417 /nfs/dbraw/zinc/11/54/17/845115417.db2.gz XDNDQLPUTDHIRY-KLHDSHLOSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106246842 845143381 /nfs/dbraw/zinc/14/33/81/845143381.db2.gz RSCSRWAYIDKULQ-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106255906 845144537 /nfs/dbraw/zinc/14/45/37/845144537.db2.gz ONYZLIYOVAMQPW-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106581673 845200462 /nfs/dbraw/zinc/20/04/62/845200462.db2.gz KMBPRJVYVJDTKG-FXUDXRNXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106592812 845201351 /nfs/dbraw/zinc/20/13/51/845201351.db2.gz WOAWHEAMEBJPHF-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597778 845202444 /nfs/dbraw/zinc/20/24/44/845202444.db2.gz MYBFJQRJPUJYQF-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001106600281 845202759 /nfs/dbraw/zinc/20/27/59/845202759.db2.gz XRDGXOCHRTUGSN-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CO[C@@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001106622669 845207032 /nfs/dbraw/zinc/20/70/32/845207032.db2.gz KGJAYTLGBXGBGL-HZSPNIEDSA-N 2 0 353.467 0.913 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623001 845207152 /nfs/dbraw/zinc/20/71/52/845207152.db2.gz BWRXLPBFDBDJBL-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106627105 845208596 /nfs/dbraw/zinc/20/85/96/845208596.db2.gz SLOCFPHKHSSNNG-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001106665828 845218923 /nfs/dbraw/zinc/21/89/23/845218923.db2.gz DCQKZDXAPCGHSO-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106664862 845218974 /nfs/dbraw/zinc/21/89/74/845218974.db2.gz AKQBJXBHNQARMK-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106796823 845254372 /nfs/dbraw/zinc/25/43/72/845254372.db2.gz AOULDIFNQNVLNF-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106839201 845264069 /nfs/dbraw/zinc/26/40/69/845264069.db2.gz AKTWVLJCNDWTKW-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106840100 845265999 /nfs/dbraw/zinc/26/59/99/845265999.db2.gz XYCRERDYAZBXHT-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106885029 845278398 /nfs/dbraw/zinc/27/83/98/845278398.db2.gz PTPNUZDCGIDADE-ZIAGYGMSSA-N 2 0 368.503 0.490 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106905227 845283431 /nfs/dbraw/zinc/28/34/31/845283431.db2.gz GEPGWDMAKFMELK-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106907784 845284434 /nfs/dbraw/zinc/28/44/34/845284434.db2.gz CGKNNJYZPBOBAT-ZIAGYGMSSA-N 2 0 351.451 0.639 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106906119 845284749 /nfs/dbraw/zinc/28/47/49/845284749.db2.gz YGHHJTOXCFFTKM-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981152 845298893 /nfs/dbraw/zinc/29/88/93/845298893.db2.gz HJOPBKFPRSVZCE-BZUAXINKSA-N 2 0 353.511 0.330 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106981700 845299552 /nfs/dbraw/zinc/29/95/52/845299552.db2.gz ZNNJQBPJEXFTRE-OWCLPIDISA-N 2 0 371.547 0.447 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001107039208 845317246 /nfs/dbraw/zinc/31/72/46/845317246.db2.gz MYOMQRLDUCWEGT-ZIAGYGMSSA-N 2 0 353.467 0.740 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001107039715 845317580 /nfs/dbraw/zinc/31/75/80/845317580.db2.gz VNMPIDLPPRIJCX-CHWSQXEVSA-N 2 0 366.428 0.689 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329328 845352554 /nfs/dbraw/zinc/35/25/54/845352554.db2.gz QKHBWAZIDBUWQG-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439305 845373533 /nfs/dbraw/zinc/37/35/33/845373533.db2.gz VIVHAJTUVOLSDD-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001107530602 845392285 /nfs/dbraw/zinc/39/22/85/845392285.db2.gz BPKKZURWGNSVOI-JFIYKMOQSA-N 2 0 371.547 0.734 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109635704 845703077 /nfs/dbraw/zinc/70/30/77/845703077.db2.gz OABQTUJIQDGGCR-MHORFTMASA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109867447 845751746 /nfs/dbraw/zinc/75/17/46/845751746.db2.gz ZWCZRHOERBPOTJ-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918586 845760583 /nfs/dbraw/zinc/76/05/83/845760583.db2.gz PSEULOQOTFHLQP-OWSLCNJRSA-N 2 0 353.507 0.836 20 0 FCADRP COC(CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O)OC ZINC001276794361 861610369 /nfs/dbraw/zinc/61/03/69/861610369.db2.gz IAAOYNNZPUSLFC-RDTXWAMCSA-N 2 0 357.495 0.279 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569449 845920925 /nfs/dbraw/zinc/92/09/25/845920925.db2.gz OBPNYAMRDCCUGG-TVFCKZIOSA-N 2 0 351.491 0.713 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001110616808 845930704 /nfs/dbraw/zinc/93/07/04/845930704.db2.gz RSFBXBFILIMCKG-FPCVCCKLSA-N 2 0 352.458 0.680 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001111171564 846053085 /nfs/dbraw/zinc/05/30/85/846053085.db2.gz JKEIPCMPXNWULC-VQHPVUNQSA-N 2 0 357.495 0.074 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198231 846059124 /nfs/dbraw/zinc/05/91/24/846059124.db2.gz PMGKXXFVNMUJAR-AHCXZYCDSA-N 2 0 353.507 0.980 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217287 846064704 /nfs/dbraw/zinc/06/47/04/846064704.db2.gz PSEULOQOTFHLQP-TVFCKZIOSA-N 2 0 353.507 0.836 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCS(=O)(=O)CC1)C2 ZINC001111861522 846234615 /nfs/dbraw/zinc/23/46/15/846234615.db2.gz RGEFSBXKDBOJEY-WMZOPIPTSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001111862510 846235938 /nfs/dbraw/zinc/23/59/38/846235938.db2.gz QHQSJJLTFXNMIX-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111890833 846249009 /nfs/dbraw/zinc/24/90/09/846249009.db2.gz BEWCLOUYULGYTI-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCCC1=O)C2 ZINC001111925811 846264177 /nfs/dbraw/zinc/26/41/77/846264177.db2.gz KWTZQQPOQBVYEI-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111952572 846275025 /nfs/dbraw/zinc/27/50/25/846275025.db2.gz ONKBOLOVOONVJY-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984003 846283021 /nfs/dbraw/zinc/28/30/21/846283021.db2.gz VFIJMPSVEOUHSL-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001112004803 846292389 /nfs/dbraw/zinc/29/23/89/846292389.db2.gz LTLHXMJTRRPTIT-HKUYNNGSSA-N 2 0 353.507 0.842 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113184 846393123 /nfs/dbraw/zinc/39/31/23/846393123.db2.gz IGAVLUCKZPNBFL-JHJVBQTASA-N 2 0 367.412 0.457 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112146071 846418548 /nfs/dbraw/zinc/41/85/48/846418548.db2.gz OECOMDXRIKBGQU-DGAVXFQQSA-N 2 0 367.412 0.457 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001112160171 846426057 /nfs/dbraw/zinc/42/60/57/846426057.db2.gz WFEGEQBKPBWCSK-MGPQQGTHSA-N 2 0 369.428 0.560 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112182307 846443088 /nfs/dbraw/zinc/44/30/88/846443088.db2.gz ZVWGEOJXNZYYLQ-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112195208 846454298 /nfs/dbraw/zinc/45/42/98/846454298.db2.gz NXPYQCCGUXJVTO-JHJVBQTASA-N 2 0 366.428 0.961 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506704 846509456 /nfs/dbraw/zinc/50/94/56/846509456.db2.gz AROVTNCTOFHENU-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2)C(N)=O ZINC001112518346 846512491 /nfs/dbraw/zinc/51/24/91/846512491.db2.gz DTVJHIMTHYALTN-KHYOSLBOSA-N 2 0 350.507 0.810 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112515090 846512696 /nfs/dbraw/zinc/51/26/96/846512696.db2.gz UVBAKWZDPQDFQC-GJYPPUQNSA-N 2 0 350.507 0.812 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112529906 846515896 /nfs/dbraw/zinc/51/58/96/846515896.db2.gz VDHRMLWWLONQQX-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112557414 846523700 /nfs/dbraw/zinc/52/37/00/846523700.db2.gz FHSWUWXSAWKVBV-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001112579485 846528910 /nfs/dbraw/zinc/52/89/10/846528910.db2.gz PVGCIBQCFJONQR-LNLFQRSKSA-N 2 0 353.507 0.819 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112586138 846531606 /nfs/dbraw/zinc/53/16/06/846531606.db2.gz JHAKTFCXSHLXHF-FCEWJHQRSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001118123438 847290278 /nfs/dbraw/zinc/29/02/78/847290278.db2.gz KSLIPDVRQWKABY-CVEARBPZSA-N 2 0 352.479 0.356 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC001119424961 847840068 /nfs/dbraw/zinc/84/00/68/847840068.db2.gz NGNDVZWBRIYMCZ-BRWVUGGUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119481900 847858184 /nfs/dbraw/zinc/85/81/84/847858184.db2.gz ANTHDSHZLSPMFR-YESZJQIVSA-N 2 0 353.511 0.162 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H](O)COC)C3)CC[N@@H+]1C ZINC001121133905 848321769 /nfs/dbraw/zinc/32/17/69/848321769.db2.gz KXPXXGLSNNWCIX-MTLVFXLLSA-N 2 0 353.507 0.741 20 0 FCADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@@H]1C ZINC001121362756 848343595 /nfs/dbraw/zinc/34/35/95/848343595.db2.gz QGWDSPBWAOAJMI-LSDHHAIUSA-N 2 0 350.511 0.906 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CNCC[NH3+])CC1 ZINC001122009369 848433730 /nfs/dbraw/zinc/43/37/30/848433730.db2.gz NIEDXEYONSCWSN-AWEZNQCLSA-N 2 0 351.470 0.693 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)C1 ZINC001122055143 848441148 /nfs/dbraw/zinc/44/11/48/848441148.db2.gz GROBAFDWQLTHDW-APIJFGDWSA-N 2 0 357.520 0.246 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC001122501426 848515101 /nfs/dbraw/zinc/51/51/01/848515101.db2.gz OPHPEPSXFHQCDC-UHFFFAOYSA-N 2 0 366.487 0.333 20 0 FCADRP O=C(NCCN1CCC2(C1)OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001123714892 848628349 /nfs/dbraw/zinc/62/83/49/848628349.db2.gz TVQUPLAOLIGQMH-MRXNPFEDSA-N 2 0 352.479 0.705 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790438 848637627 /nfs/dbraw/zinc/63/76/27/848637627.db2.gz ZECQLJXZNUKZTI-FUHWJXTLSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccsc2)CC[N@@H+]1C ZINC001127644099 848730412 /nfs/dbraw/zinc/73/04/12/848730412.db2.gz UXDZRJFABCMUJA-UKRRQHHQSA-N 2 0 352.504 0.753 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C/C=C/Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048432 848799390 /nfs/dbraw/zinc/79/93/90/848799390.db2.gz BXSFIIKRQAPILB-PUZFDUQFSA-N 2 0 352.870 0.856 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071781 848802459 /nfs/dbraw/zinc/80/24/59/848802459.db2.gz MBJYYSGJWNGSPI-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393488 848838325 /nfs/dbraw/zinc/83/83/25/848838325.db2.gz MFISWUVMYFQWDA-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461742 848848201 /nfs/dbraw/zinc/84/82/01/848848201.db2.gz ZXBXZXDZMLGYTN-XHSDSOJGSA-N 2 0 352.483 0.121 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129846539 848902393 /nfs/dbraw/zinc/90/23/93/848902393.db2.gz ZXYJPLLAJNGIIG-OAGGEKHMSA-N 2 0 350.442 0.321 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894834 848909634 /nfs/dbraw/zinc/90/96/34/848909634.db2.gz UUXPYEKEMUCUSI-ZNMIVQPWSA-N 2 0 350.467 0.139 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895627 848909646 /nfs/dbraw/zinc/90/96/46/848909646.db2.gz GDQFXTUHDOFIKW-BMFZPTHFSA-N 2 0 350.467 0.139 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894700 848909896 /nfs/dbraw/zinc/90/98/96/848909896.db2.gz QGENJAGYJKYAQA-BMFZPTHFSA-N 2 0 352.458 0.852 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001129991970 848927950 /nfs/dbraw/zinc/92/79/50/848927950.db2.gz FNKKXEPLEMSCJU-KGLIPLIRSA-N 2 0 356.421 0.617 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130012149 848931032 /nfs/dbraw/zinc/93/10/32/848931032.db2.gz RIMHYPFSVYKGIS-CABCVRRESA-N 2 0 352.458 0.711 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130081229 848941194 /nfs/dbraw/zinc/94/11/94/848941194.db2.gz DTTNWGGMYRJOPA-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086156 848942969 /nfs/dbraw/zinc/94/29/69/848942969.db2.gz NTJXSSJMANLYHU-XHSDSOJGSA-N 2 0 352.483 0.244 20 0 FCADRP O=C(N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001130091378 848943365 /nfs/dbraw/zinc/94/33/65/848943365.db2.gz PMLJZNRNVPVWGH-IGLYHPTJSA-N 2 0 350.854 0.468 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094364 848943536 /nfs/dbraw/zinc/94/35/36/848943536.db2.gz HESSDMLUCOCEMW-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094870 848944784 /nfs/dbraw/zinc/94/47/84/848944784.db2.gz UIQMADJWCABOOX-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107744 848945981 /nfs/dbraw/zinc/94/59/81/848945981.db2.gz ZFKYRXYUJCSIGG-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107745 848946923 /nfs/dbraw/zinc/94/69/23/848946923.db2.gz ZFKYRXYUJCSIGG-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125622 848948632 /nfs/dbraw/zinc/94/86/32/848948632.db2.gz XHVNYSSBAMMPKX-CVEARBPZSA-N 2 0 350.467 0.142 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130234576 848981644 /nfs/dbraw/zinc/98/16/44/848981644.db2.gz BDYRDNCHTJRDDX-KBPBESRZSA-N 2 0 350.467 0.245 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130656993 849024639 /nfs/dbraw/zinc/02/46/39/849024639.db2.gz UTXJUTMFRLBLQF-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130695357 849027956 /nfs/dbraw/zinc/02/79/56/849027956.db2.gz OIPQEGCSOBXINF-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n[nH]1 ZINC001130805402 849046326 /nfs/dbraw/zinc/04/63/26/849046326.db2.gz ZZCZJVNRISTYPG-VOYABRKTSA-N 2 0 370.885 0.935 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+](CC)CC ZINC001131073953 849077552 /nfs/dbraw/zinc/07/75/52/849077552.db2.gz RAQBJVXOWKIFBK-BZUAXINKSA-N 2 0 351.495 0.417 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131588165 849127605 /nfs/dbraw/zinc/12/76/05/849127605.db2.gz VBGLNLHLPKCKTK-LXZKKBNFSA-N 2 0 354.495 0.188 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131608662 849129939 /nfs/dbraw/zinc/12/99/39/849129939.db2.gz KLOWXTFVWARIND-QAPCUYQASA-N 2 0 354.495 0.058 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762567 862058311 /nfs/dbraw/zinc/05/83/11/862058311.db2.gz XCKWMHYAONCQQI-IBGZPJMESA-N 2 0 352.523 0.319 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)c1nc2c(s1)C[NH2+]CC2)C(=O)N1CCCC1 ZINC001157404202 849969661 /nfs/dbraw/zinc/96/96/61/849969661.db2.gz KVZIXRLYUSUGIB-ZDUSSCGKSA-N 2 0 365.503 0.639 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001157448676 849973787 /nfs/dbraw/zinc/97/37/87/849973787.db2.gz FNOKNZQRPMSLPS-AWEZNQCLSA-N 3 0 352.479 0.134 20 0 FCADRP CCCCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778924 862076532 /nfs/dbraw/zinc/07/65/32/862076532.db2.gz VEQNWNGJKMOZDO-AEFFLSMTSA-N 2 0 357.495 0.029 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001157551812 849979625 /nfs/dbraw/zinc/97/96/25/849979625.db2.gz RROLZIDWHLDJHQ-UHFFFAOYSA-N 2 0 351.451 0.573 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC1 ZINC001157732391 849989872 /nfs/dbraw/zinc/98/98/72/849989872.db2.gz ZOVQZJARFYCFHV-CJNGLKHVSA-N 2 0 350.442 0.209 20 0 FCADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157844094 849999291 /nfs/dbraw/zinc/99/92/91/849999291.db2.gz UZAKLAGQXWXVGF-WCVJEAGWSA-N 3 0 353.511 0.020 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ncc(Cl)nc3C(N)=O)CC2)CC1 ZINC001157838210 849999717 /nfs/dbraw/zinc/99/97/17/849999717.db2.gz SHIKJORDECTNOB-UHFFFAOYSA-N 2 0 352.870 0.693 20 0 FCADRP CCS(=O)(=O)N(c1nccc(N2CCC([NH3+])CC2)n1)C1CC[NH2+]CC1 ZINC001157897531 850002584 /nfs/dbraw/zinc/00/25/84/850002584.db2.gz ZBKTXIMBUZBCAM-UHFFFAOYSA-N 2 0 368.507 0.312 20 0 FCADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158027422 850013542 /nfs/dbraw/zinc/01/35/42/850013542.db2.gz FMFAKHHXTNIRMH-WBVHZDCISA-N 2 0 369.531 0.536 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032913 850014851 /nfs/dbraw/zinc/01/48/51/850014851.db2.gz XXUZIDLLKWNEMF-MJGOQNOKSA-N 3 0 351.539 0.509 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159596 850020632 /nfs/dbraw/zinc/02/06/32/850020632.db2.gz FHJFUCYYLFDURG-SWLSCSKDSA-N 2 0 364.412 0.907 20 0 FCADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158190102 850023445 /nfs/dbraw/zinc/02/34/45/850023445.db2.gz FEWBCKZBNGWJGA-ZDUSSCGKSA-N 2 0 351.451 0.639 20 0 FCADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241293 850028601 /nfs/dbraw/zinc/02/86/01/850028601.db2.gz TWOBOXMTRIFAQF-ZYHUDNBSSA-N 2 0 360.380 0.140 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277113 850033903 /nfs/dbraw/zinc/03/39/03/850033903.db2.gz JANBOIZFINNSCK-CYBMUJFWSA-N 2 0 350.467 0.232 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC(F)F)C2 ZINC001158379933 850041298 /nfs/dbraw/zinc/04/12/98/850041298.db2.gz GNHRMDITLAQXRW-ZEGGKSINSA-N 2 0 373.322 0.513 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CC(F)C1)C2 ZINC001158383424 850043904 /nfs/dbraw/zinc/04/39/04/850043904.db2.gz PIJYBXHDPKADKC-ZJQYWARXSA-N 2 0 367.343 0.359 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])C(C)(C)C)C2 ZINC001158386662 850044390 /nfs/dbraw/zinc/04/43/90/850044390.db2.gz ZWRHKSXLXPAJOW-VQISRLSMSA-N 2 0 365.396 0.903 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@]1(C)CC[NH2+]C1)C2 ZINC001158384496 850044684 /nfs/dbraw/zinc/04/46/84/850044684.db2.gz WNXASAMIYPMTQO-RRFJBIMHSA-N 2 0 363.380 0.530 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001158412123 850048144 /nfs/dbraw/zinc/04/81/44/850048144.db2.gz NFFBYDQRJWDQBT-LSDHHAIUSA-N 2 0 362.540 0.094 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC001158428581 850048626 /nfs/dbraw/zinc/04/86/26/850048626.db2.gz JWDDBOXDUBSYAV-TZMCWYRMSA-N 2 0 363.487 0.692 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001158499078 850058388 /nfs/dbraw/zinc/05/83/88/850058388.db2.gz VWFLUEUFSCSXLZ-YHUYYLMFSA-N 3 0 354.495 0.234 20 0 FCADRP C[NH+]1CCC(N(c2ncc(S(N)(=O)=O)cc2F)C2CC[NH2+]CC2)CC1 ZINC001158590923 850061626 /nfs/dbraw/zinc/06/16/26/850061626.db2.gz MISOLYWBPPKPFZ-UHFFFAOYSA-N 2 0 371.482 0.521 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158890795 850083299 /nfs/dbraw/zinc/08/32/99/850083299.db2.gz NFZYPZUSPDKBFU-HACGYAERSA-N 3 0 351.426 0.141 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(OC3CC[NH2+]CC3)nn2)O1 ZINC001159243943 850104215 /nfs/dbraw/zinc/10/42/15/850104215.db2.gz WBVMONIBFNBYKL-CPUCHLNUSA-N 2 0 351.451 0.744 20 0 FCADRP Nc1ncn(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159396807 850110639 /nfs/dbraw/zinc/11/06/39/850110639.db2.gz OJEDDMLQSRLWSI-NMKXLXIOSA-N 2 0 364.881 0.355 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159411549 850112024 /nfs/dbraw/zinc/11/20/24/850112024.db2.gz DCUNAUCVWQHSHO-DYVFJYSZSA-N 2 0 352.410 0.013 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001159515084 850120226 /nfs/dbraw/zinc/12/02/26/850120226.db2.gz PICQDYNRWVEOSF-YJNKXOJESA-N 2 0 351.451 0.916 20 0 FCADRP O=C(N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159832069 850139246 /nfs/dbraw/zinc/13/92/46/850139246.db2.gz AZXTVSANBQYEAU-BASYENTBSA-N 2 0 361.515 0.517 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160110620 850153465 /nfs/dbraw/zinc/15/34/65/850153465.db2.gz NOEKFOXLZPPILK-CQDKDKBSSA-N 2 0 359.455 0.473 20 0 FCADRP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001160148580 850155186 /nfs/dbraw/zinc/15/51/86/850155186.db2.gz WVHWOLFDPFTTPT-GFCCVEGCSA-N 2 0 367.519 0.522 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160191132 850158207 /nfs/dbraw/zinc/15/82/07/850158207.db2.gz HRUUKOBTFJNQGM-XPCVCDNBSA-N 2 0 354.520 0.159 20 0 FCADRP CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001160271692 850163746 /nfs/dbraw/zinc/16/37/46/850163746.db2.gz WRVIMYSWFKNZRO-CABCVRRESA-N 2 0 354.495 0.176 20 0 FCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)C1 ZINC001160388576 850170060 /nfs/dbraw/zinc/17/00/60/850170060.db2.gz LDXLTRMTIGUVRB-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP COCCN(C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC001160441728 850173236 /nfs/dbraw/zinc/17/32/36/850173236.db2.gz WZQCUMSOSCMVJX-FUHWJXTLSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)cc1 ZINC001160443060 850173899 /nfs/dbraw/zinc/17/38/99/850173899.db2.gz BTPHEMKBSRLTAF-OAHLLOKOSA-N 2 0 351.472 0.759 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611787 850185144 /nfs/dbraw/zinc/18/51/44/850185144.db2.gz WDOWMZHYDFVJEH-KBPBESRZSA-N 2 0 357.501 0.080 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160689597 850191574 /nfs/dbraw/zinc/19/15/74/850191574.db2.gz PHSFOSOVGGMGBT-OAHLLOKOSA-N 2 0 366.897 0.134 20 0 FCADRP CCOC(=O)CN(Cc1ccsc1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160769121 850197383 /nfs/dbraw/zinc/19/73/83/850197383.db2.gz ITQVLAMPLINSNA-OAHLLOKOSA-N 2 0 368.503 0.390 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[C@@H](C(F)(F)F)C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160810488 850199238 /nfs/dbraw/zinc/19/92/38/850199238.db2.gz AJVZNAKCBBKWSX-RTWAVKEYSA-N 2 0 363.380 0.528 20 0 FCADRP C[C@@](O)(C1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1)C(F)(F)F ZINC001160838394 850201680 /nfs/dbraw/zinc/20/16/80/850201680.db2.gz NDRSGSDOBVYXGG-DZGCQCFKSA-N 2 0 366.428 0.289 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1-c1ncnc2c1CC[NH2+]CC2 ZINC001160967705 850216711 /nfs/dbraw/zinc/21/67/11/850216711.db2.gz ANQKGZLGVYLHDO-UHFFFAOYSA-N 2 0 363.263 0.577 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001161030013 850224709 /nfs/dbraw/zinc/22/47/09/850224709.db2.gz RJOQJQFXOIYMHA-IAGOWNOFSA-N 2 0 366.893 0.990 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001161072769 850227861 /nfs/dbraw/zinc/22/78/61/850227861.db2.gz GBCHZTDSKHOMQR-NSHDSACASA-N 2 0 352.401 0.763 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152335 850235044 /nfs/dbraw/zinc/23/50/44/850235044.db2.gz HCBUCCIRMHCDMP-MNOVXSKESA-N 2 0 359.352 0.161 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC001161157364 850235688 /nfs/dbraw/zinc/23/56/88/850235688.db2.gz BVUMRMLMLUIEHC-PBHICJAKSA-N 2 0 351.447 0.660 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161317665 850252227 /nfs/dbraw/zinc/25/22/27/850252227.db2.gz RMYQYABTUGQKRT-YDHLFZDLSA-N 2 0 355.483 0.040 20 0 FCADRP COc1cccc(OC2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)n1 ZINC001161318764 850252258 /nfs/dbraw/zinc/25/22/58/850252258.db2.gz YXHXMBFBDYVRFX-ZDUSSCGKSA-N 2 0 354.476 0.479 20 0 FCADRP COc1cc(N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161386608 850256865 /nfs/dbraw/zinc/25/68/65/850256865.db2.gz SRCQAYJQEICHQJ-AWEZNQCLSA-N 3 0 353.492 0.194 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161445448 850259330 /nfs/dbraw/zinc/25/93/30/850259330.db2.gz PFJZISHZIUJIBN-JENIJYKNSA-N 3 0 352.523 0.677 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520408 850266262 /nfs/dbraw/zinc/26/62/62/850266262.db2.gz NAQOWQDHNAIFGW-NEPJUHHUSA-N 2 0 354.252 0.228 20 0 FCADRP CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]2)CC1 ZINC001162391570 850312853 /nfs/dbraw/zinc/31/28/53/850312853.db2.gz BZEMKWDKPAQBFP-KBPBESRZSA-N 2 0 353.492 0.845 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001162531350 850323538 /nfs/dbraw/zinc/32/35/38/850323538.db2.gz DVSSNLKAXSGWST-UHFFFAOYSA-N 2 0 350.810 0.639 20 0 FCADRP CS(=O)(=O)c1nc2c(c(Nc3ccc(C[NH3+])c(F)c3)n1)CC[NH2+]CC2 ZINC001162522676 850323706 /nfs/dbraw/zinc/32/37/06/850323706.db2.gz KQMZGOULFBLICW-UHFFFAOYSA-N 2 0 365.434 0.910 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813655 862116546 /nfs/dbraw/zinc/11/65/46/862116546.db2.gz QZFTUNRONOZSLF-SFHVURJKSA-N 2 0 353.507 0.794 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC2(C[C@@H]2C(=O)NCCCOC)CC1 ZINC001277833073 862120863 /nfs/dbraw/zinc/12/08/63/862120863.db2.gz BBARZAJCZSNKSO-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001277833369 862120910 /nfs/dbraw/zinc/12/09/10/862120910.db2.gz CUWYMNOZLKHVSG-GVDBMIGSSA-N 2 0 350.463 0.943 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833409 862121263 /nfs/dbraw/zinc/12/12/63/862121263.db2.gz DRGAXZBUOGGLFK-IEBWSBKVSA-N 3 0 354.539 0.708 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833411 862121687 /nfs/dbraw/zinc/12/16/87/862121687.db2.gz DRGAXZBUOGGLFK-PKOBYXMFSA-N 3 0 354.539 0.708 20 0 FCADRP C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164456463 850411562 /nfs/dbraw/zinc/41/15/62/850411562.db2.gz ODNDXCUYCZWODR-RYUDHWBXSA-N 2 0 353.492 0.132 20 0 FCADRP Clc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c2c(n1)C[NH2+]CC2 ZINC001165345103 850436508 /nfs/dbraw/zinc/43/65/08/850436508.db2.gz IAGVAVGYZGDPGT-KRWDZBQOSA-N 2 0 352.866 0.966 20 0 FCADRP COc1c(C2C[NH2+]C2)ncnc1N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001166464010 850477279 /nfs/dbraw/zinc/47/72/79/850477279.db2.gz XNVLOYGNGRVECS-UHFFFAOYSA-N 2 0 363.443 0.728 20 0 FCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167911043 850562286 /nfs/dbraw/zinc/56/22/86/850562286.db2.gz ZYGOEEUZZFRMHH-PIIMJCKOSA-N 2 0 360.495 0.416 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001168232754 850578025 /nfs/dbraw/zinc/57/80/25/850578025.db2.gz CAJPRPRNGXYQDU-CVEARBPZSA-N 2 0 356.467 0.829 20 0 FCADRP CS(=O)(=O)N(C1CC[NH+](CC2CC2)CC1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001168378665 850584990 /nfs/dbraw/zinc/58/49/90/850584990.db2.gz PMDQFSRQSJSTDD-JQHSSLGASA-N 2 0 371.547 0.889 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NS(=O)(=O)c1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001169125767 850605722 /nfs/dbraw/zinc/60/57/22/850605722.db2.gz KZAAWHSCBMCZAM-ACHSLPGTSA-N 2 0 364.515 1.000 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ncn3c1C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169131732 850606311 /nfs/dbraw/zinc/60/63/11/850606311.db2.gz YJDLRPJFWLBFHE-FICVDOATSA-N 2 0 367.519 0.763 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169867718 850636892 /nfs/dbraw/zinc/63/68/92/850636892.db2.gz IHFLIRUYWOIBGV-OIBGERBOSA-N 2 0 359.536 0.921 20 0 FCADRP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001170829686 850666879 /nfs/dbraw/zinc/66/68/79/850666879.db2.gz UFXXRIYKJNOZGR-NXHRZFHOSA-N 2 0 355.523 0.990 20 0 FCADRP CCOC(=O)CN(CC[NH3+])c1ncccc1C(=O)NCCC[NH+](C)C ZINC001170992953 850672498 /nfs/dbraw/zinc/67/24/98/850672498.db2.gz LSYCNUXAHUPKGM-UHFFFAOYSA-N 2 0 351.451 0.091 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172148967 850706125 /nfs/dbraw/zinc/70/61/25/850706125.db2.gz CWWNSGTYXDXBKQ-DLBZAZTESA-N 2 0 357.495 0.518 20 0 FCADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173568058 850728105 /nfs/dbraw/zinc/72/81/05/850728105.db2.gz ONWQCFOQTFGKHU-PHZGNYQRSA-N 2 0 356.463 0.818 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCNC(=O)c1ccc[nH]1 ZINC001175537136 850765949 /nfs/dbraw/zinc/76/59/49/850765949.db2.gz IQJAHJYUHRRPLN-UHFFFAOYSA-N 2 0 351.495 0.867 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCCCC[NH2+]CCO)CC1 ZINC001178513606 850904895 /nfs/dbraw/zinc/90/48/95/850904895.db2.gz WJEPBSGPNWQXFW-MSOLQXFVSA-N 2 0 355.523 0.992 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001178527476 850905476 /nfs/dbraw/zinc/90/54/76/850905476.db2.gz MQXLUKPMIYAJKU-UONOGXRCSA-N 2 0 355.483 0.178 20 0 FCADRP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C)C1CC1 ZINC001178731594 850921137 /nfs/dbraw/zinc/92/11/37/850921137.db2.gz YYVZNAABWVOMMB-WTTBNOFXSA-N 2 0 350.507 0.917 20 0 FCADRP C=C(F)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001180119391 851014366 /nfs/dbraw/zinc/01/43/66/851014366.db2.gz UCKKAZOLOPYRPD-UNPMEBSKSA-N 2 0 361.458 0.765 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)CC1 ZINC001180349118 851028287 /nfs/dbraw/zinc/02/82/87/851028287.db2.gz FTLMMANKUKWQGW-UHFFFAOYSA-N 2 0 368.503 0.464 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)CC1 ZINC001182036421 851147236 /nfs/dbraw/zinc/14/72/36/851147236.db2.gz SATBERHTNHGTOZ-UHFFFAOYSA-N 2 0 369.487 0.398 20 0 FCADRP CC(C)N(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])S(=O)(=O)c1ccccc1 ZINC001182619509 851184677 /nfs/dbraw/zinc/18/46/77/851184677.db2.gz OPTJYTFQOTZVFS-UHFFFAOYSA-N 2 0 369.491 0.547 20 0 FCADRP C[NH+](C)CCCCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001184058261 851286915 /nfs/dbraw/zinc/28/69/15/851286915.db2.gz SUMVKHOEMJOOCA-UHFFFAOYSA-N 2 0 358.464 0.340 20 0 FCADRP C[NH+](C)CCCCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001184061294 851288207 /nfs/dbraw/zinc/28/82/07/851288207.db2.gz IYPWFXZJHATHSV-UHFFFAOYSA-N 2 0 368.503 0.665 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCF)C3(C2)CCOCC3)O1 ZINC001186409715 851429977 /nfs/dbraw/zinc/42/99/77/851429977.db2.gz CPILXMOVSLQQJB-OWCLPIDISA-N 2 0 357.470 0.520 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278204940 862254444 /nfs/dbraw/zinc/25/44/44/862254444.db2.gz SSCONOUSKPZNQB-SFHVURJKSA-N 2 0 354.495 0.158 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001188107783 851646608 /nfs/dbraw/zinc/64/66/08/851646608.db2.gz YTMMTXMJUZOKGQ-ARFHVFGLSA-N 2 0 352.458 0.491 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691271 851720409 /nfs/dbraw/zinc/72/04/09/851720409.db2.gz WTKINEYJCZTEFK-HRCADAONSA-N 2 0 350.507 0.918 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136328 851757007 /nfs/dbraw/zinc/75/70/07/851757007.db2.gz VMVTZVPNQFQEBZ-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667131 851812664 /nfs/dbraw/zinc/81/26/64/851812664.db2.gz BMPJGFFNBIEMEB-YESZJQIVSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870660 851833141 /nfs/dbraw/zinc/83/31/41/851833141.db2.gz CRNJBGUGEOJPPL-YQQAZPJKSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923219 851843479 /nfs/dbraw/zinc/84/34/79/851843479.db2.gz LXGKWAJIHFSXHN-YESZJQIVSA-N 2 0 350.507 0.870 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212922 851876264 /nfs/dbraw/zinc/87/62/64/851876264.db2.gz OJXUSOVSWVUTLH-OKZBNKHCSA-N 2 0 353.507 0.793 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(Br)cn(C)c1=O ZINC001191209756 852030277 /nfs/dbraw/zinc/03/02/77/852030277.db2.gz VKPWQPLYXVSAHP-UHFFFAOYSA-N 2 0 372.267 0.825 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447363 852429368 /nfs/dbraw/zinc/42/93/68/852429368.db2.gz PKIKIYLWVPTUIG-BRWVUGGUSA-N 2 0 359.486 0.644 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755159 852482145 /nfs/dbraw/zinc/48/21/45/852482145.db2.gz GWIKIXJMOXEGEG-KZNAEPCWSA-N 2 0 353.507 0.981 20 0 FCADRP C[NH+]1CCC(CN2CCN(S(=O)(=O)c3ccccc3N)CC2)CC1 ZINC001193922098 852508626 /nfs/dbraw/zinc/50/86/26/852508626.db2.gz ZKNTZGAHJDOCOJ-UHFFFAOYSA-N 2 0 352.504 0.917 20 0 FCADRP CC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001194103169 852536629 /nfs/dbraw/zinc/53/66/29/852536629.db2.gz WEPQGXRBCXXZTF-BHUNQDJPSA-N 2 0 353.507 0.552 20 0 FCADRP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102192 852537532 /nfs/dbraw/zinc/53/75/32/852537532.db2.gz DJPDOSZCDHZIIU-IAGOWNOFSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982469 852685599 /nfs/dbraw/zinc/68/55/99/852685599.db2.gz LCDFSGQKPSAFPF-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982862 852687257 /nfs/dbraw/zinc/68/72/57/852687257.db2.gz SHEGOMFUWBIPOH-GVDBMIGSSA-N 2 0 355.523 0.821 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001195871619 852837746 /nfs/dbraw/zinc/83/77/46/852837746.db2.gz QQJHQFMTFBZOIM-IAGOWNOFSA-N 2 0 353.438 0.708 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197724208 853153241 /nfs/dbraw/zinc/15/32/41/853153241.db2.gz PXQIOKVQAZOVMU-BRWVUGGUSA-N 2 0 359.511 0.057 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775845 853160559 /nfs/dbraw/zinc/16/05/59/853160559.db2.gz OJRSIYAHVJVUIT-MGPQQGTHSA-N 2 0 367.412 0.459 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2c(C)onc2CC)C[C@H]1O ZINC001197996697 853200388 /nfs/dbraw/zinc/20/03/88/853200388.db2.gz DJJQJZGGTDFOEO-IAGOWNOFSA-N 2 0 352.479 0.939 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001198729118 853307485 /nfs/dbraw/zinc/30/74/85/853307485.db2.gz AHXQQGUIOYLKJD-RCCFBDPRSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001198729488 853307689 /nfs/dbraw/zinc/30/76/89/853307689.db2.gz OQEJINYEGIIGTF-KZNAEPCWSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001198729718 853309197 /nfs/dbraw/zinc/30/91/97/853309197.db2.gz YWZXSJZEAKPDGO-RCCFBDPRSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001199370122 853413776 /nfs/dbraw/zinc/41/37/76/853413776.db2.gz LGPOJQHNSLUEJB-RCCFBDPRSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCC3CC3)C2)CC[N@@H+]1C ZINC001200546221 853502473 /nfs/dbraw/zinc/50/24/73/853502473.db2.gz AGTGXXWTTYOIBI-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001205334804 853603854 /nfs/dbraw/zinc/60/38/54/853603854.db2.gz RDHBLPWEGJLZIO-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001205334795 853603887 /nfs/dbraw/zinc/60/38/87/853603887.db2.gz RAMNSZJZPAHPSW-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205516828 853619329 /nfs/dbraw/zinc/61/93/29/853619329.db2.gz XJIPGUSVKILCBD-YESZJQIVSA-N 2 0 353.507 0.648 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205686115 853626924 /nfs/dbraw/zinc/62/69/24/853626924.db2.gz UBKSBELDYQBZQP-GOEBONIOSA-N 2 0 350.438 0.535 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC001207437722 853812624 /nfs/dbraw/zinc/81/26/24/853812624.db2.gz XQHMTBBGDLJATB-UHFFFAOYSA-N 3 0 352.523 0.489 20 0 FCADRP O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2CC2CC[NH2+]CC2)O1 ZINC001207435932 853813566 /nfs/dbraw/zinc/81/35/66/853813566.db2.gz ZYROOVJWWFPSTB-KURKYZTESA-N 2 0 351.491 0.761 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001207484077 853818846 /nfs/dbraw/zinc/81/88/46/853818846.db2.gz NNLDIDHDYSSKQA-KZNAEPCWSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001208070085 853890764 /nfs/dbraw/zinc/89/07/64/853890764.db2.gz CPKYLCMYZXXCIN-JHJVBQTASA-N 2 0 366.491 0.397 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208106750 853896995 /nfs/dbraw/zinc/89/69/95/853896995.db2.gz JXKHGBMWPZUOLX-BRWVUGGUSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163495 853901935 /nfs/dbraw/zinc/90/19/35/853901935.db2.gz HVLYGWOWZXTHIA-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001208604808 853958544 /nfs/dbraw/zinc/95/85/44/853958544.db2.gz WHVOWCJLJGBFRL-QGZVFWFLSA-N 2 0 350.507 0.587 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001208610966 853960113 /nfs/dbraw/zinc/96/01/13/853960113.db2.gz SLGOTNRQUYLVSO-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001208699873 853967952 /nfs/dbraw/zinc/96/79/52/853967952.db2.gz XWQBPMDBSBEQCU-UPJWGTAASA-N 2 0 366.428 0.832 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(CCN1CCOCC1)CCC2 ZINC001209292098 854016267 /nfs/dbraw/zinc/01/62/67/854016267.db2.gz KQCLGQAVPWHQSE-UHFFFAOYSA-N 2 0 351.495 0.499 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837522 854058331 /nfs/dbraw/zinc/05/83/31/854058331.db2.gz ZXFRVPYFAMOHLC-IIAWOOMASA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297185 854097295 /nfs/dbraw/zinc/09/72/95/854097295.db2.gz CYYCIVQJSVAAAY-IXDOHACOSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315204 854099686 /nfs/dbraw/zinc/09/96/86/854099686.db2.gz MGKXYOQCYMSKRX-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001210499394 854114326 /nfs/dbraw/zinc/11/43/26/854114326.db2.gz YCDZMBVQYXIOBU-BRWVUGGUSA-N 2 0 351.495 0.412 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444103 854200137 /nfs/dbraw/zinc/20/01/37/854200137.db2.gz OTBYPDSDXZBJQG-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001212403603 854465075 /nfs/dbraw/zinc/46/50/75/854465075.db2.gz OFIFCWYWWFCYCJ-BRWVUGGUSA-N 2 0 357.495 0.074 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213598243 854680072 /nfs/dbraw/zinc/68/00/72/854680072.db2.gz DXNADBJJVMXFRR-GVDBMIGSSA-N 2 0 359.511 0.177 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213599207 854680472 /nfs/dbraw/zinc/68/04/72/854680472.db2.gz WPNPKZJVFOWVNW-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1)OC ZINC001213638554 854694512 /nfs/dbraw/zinc/69/45/12/854694512.db2.gz UBSCPSQLNZHQSP-DJIMGWMZSA-N 2 0 357.495 0.338 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678273 854711851 /nfs/dbraw/zinc/71/18/51/854711851.db2.gz MSEZXHNMICCZGG-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C2)cn1 ZINC001213678407 854712982 /nfs/dbraw/zinc/71/29/82/854712982.db2.gz UNUQQSBSTOYOOP-IAGOWNOFSA-N 2 0 351.495 0.603 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747796 854749033 /nfs/dbraw/zinc/74/90/33/854749033.db2.gz RERPDDGPGYMQSU-IAGOWNOFSA-N 2 0 351.495 0.510 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213859782 854795060 /nfs/dbraw/zinc/79/50/60/854795060.db2.gz KOAWXCDOBTWPNX-BFHYXJOUSA-N 2 0 367.412 0.723 20 0 FCADRP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893067 854813707 /nfs/dbraw/zinc/81/37/07/854813707.db2.gz YNXKHOZIZHPFHV-BRWVUGGUSA-N 2 0 357.495 0.338 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001214336256 854927570 /nfs/dbraw/zinc/92/75/70/854927570.db2.gz ZSGXIDNKXLQIOK-JHJVBQTASA-N 2 0 364.412 0.538 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648336 854986604 /nfs/dbraw/zinc/98/66/04/854986604.db2.gz JBYQKQSONPLKFC-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001214845407 855021784 /nfs/dbraw/zinc/02/17/84/855021784.db2.gz RWLGVMGLTPBOGQ-OWCLPIDISA-N 2 0 359.536 0.445 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845555 855022116 /nfs/dbraw/zinc/02/21/16/855022116.db2.gz ZFWLVSDHXYUGSI-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214856081 855025001 /nfs/dbraw/zinc/02/50/01/855025001.db2.gz XDTNVWLLPDTVOQ-KYJSFNMBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214863400 855025606 /nfs/dbraw/zinc/02/56/06/855025606.db2.gz LGVWHFDNGAWYQH-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214957194 855039789 /nfs/dbraw/zinc/03/97/89/855039789.db2.gz ZBYVZFWTCHEFSZ-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214968751 855041626 /nfs/dbraw/zinc/04/16/26/855041626.db2.gz ALUIRDSAZPPJMC-UPJWGTAASA-N 2 0 366.491 0.397 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214968763 855042188 /nfs/dbraw/zinc/04/21/88/855042188.db2.gz AYVGUENTRCJPBO-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968868 855042255 /nfs/dbraw/zinc/04/22/55/855042255.db2.gz FFKZVNVVXQITCK-OAGGEKHMSA-N 2 0 359.536 0.732 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001214997554 855049801 /nfs/dbraw/zinc/04/98/01/855049801.db2.gz JNTCNPMPLABXHR-HUUCEWRRSA-N 2 0 355.527 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215150780 855073577 /nfs/dbraw/zinc/07/35/77/855073577.db2.gz UKFQXQUPJIJIAP-IUODEOHRSA-N 2 0 350.444 0.429 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184589 855078912 /nfs/dbraw/zinc/07/89/12/855078912.db2.gz KJNVXTYWZFYULB-LDBBTLTOSA-N 2 0 351.491 0.713 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224031 855083084 /nfs/dbraw/zinc/08/30/84/855083084.db2.gz FIUHBVCUQQBWIQ-KYJSFNMBSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCc1ccco1 ZINC001215458852 855117188 /nfs/dbraw/zinc/11/71/88/855117188.db2.gz NETSAEQNVSAAOF-IJEWVQPXSA-N 2 0 350.463 0.673 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1)[NH+]1CCCC1 ZINC001215598730 855131619 /nfs/dbraw/zinc/13/16/19/855131619.db2.gz HLCXFVCPWBZFAX-IIAWOOMASA-N 2 0 367.519 0.976 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215778340 855144588 /nfs/dbraw/zinc/14/45/88/855144588.db2.gz HFGIYPZIDJADKM-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001215999243 855164144 /nfs/dbraw/zinc/16/41/44/855164144.db2.gz WNFFBVZTGGGZJB-HUUCEWRRSA-N 2 0 355.527 0.862 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409468 855200394 /nfs/dbraw/zinc/20/03/94/855200394.db2.gz HNSYOIYXIZPKAY-IXDOHACOSA-N 2 0 353.507 0.552 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216495005 855208435 /nfs/dbraw/zinc/20/84/35/855208435.db2.gz VAMMXKKGMPINQO-HZPDHXFCSA-N 2 0 356.511 0.308 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1 ZINC001216503907 855208787 /nfs/dbraw/zinc/20/87/87/855208787.db2.gz ZFWOUGMHLIVIRU-DGCLKSJQSA-N 2 0 368.507 0.563 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216754370 855232450 /nfs/dbraw/zinc/23/24/50/855232450.db2.gz REEIWNOUZDYONH-QLFBSQMISA-N 2 0 353.511 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001216772656 855238078 /nfs/dbraw/zinc/23/80/78/855238078.db2.gz IHVSFKUNJHMXIY-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216840964 855254350 /nfs/dbraw/zinc/25/43/50/855254350.db2.gz KTAMAQIKENYGKZ-RHSMWYFYSA-N 2 0 367.515 0.843 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216844878 855256419 /nfs/dbraw/zinc/25/64/19/855256419.db2.gz MRHJAEQLRACDFZ-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216844945 855256942 /nfs/dbraw/zinc/25/69/42/855256942.db2.gz PXUAYHFQQQEWTG-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001216852119 855260892 /nfs/dbraw/zinc/26/08/92/855260892.db2.gz PSTLGNPUINAEHN-CHWSQXEVSA-N 2 0 366.428 0.832 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217950319 855384750 /nfs/dbraw/zinc/38/47/50/855384750.db2.gz YROJHOFDACJRSV-NXEZZACHSA-N 2 0 356.398 0.230 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218355373 855417445 /nfs/dbraw/zinc/41/74/45/855417445.db2.gz MRWQYLPCQYXXDW-KSZLIROESA-N 2 0 351.491 0.809 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC001218356130 855418286 /nfs/dbraw/zinc/41/82/86/855418286.db2.gz YEIDNGGHYGKLLV-YESZJQIVSA-N 2 0 353.507 0.791 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363007 855418296 /nfs/dbraw/zinc/41/82/96/855418296.db2.gz FYWBYYSNOQPJTI-RYQLBKOJSA-N 2 0 353.507 0.933 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]21 ZINC001218582823 855444838 /nfs/dbraw/zinc/44/48/38/855444838.db2.gz UVAVZUIMGVUFDL-UONOGXRCSA-N 2 0 367.412 0.819 20 0 FCADRP COC(=O)c1ccnc(Cl)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218593016 855445411 /nfs/dbraw/zinc/44/54/11/855445411.db2.gz MQFBKGVBFUJXDV-LLVKDONJSA-N 2 0 355.826 0.211 20 0 FCADRP CCOC(=O)c1sc(SC)nc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218632883 855453841 /nfs/dbraw/zinc/45/38/41/855453841.db2.gz CNKAASWOUXQVHI-MRVPVSSYSA-N 2 0 356.473 0.789 20 0 FCADRP CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218649923 855457608 /nfs/dbraw/zinc/45/76/08/855457608.db2.gz LMJVCIIZPLNUIC-ZETCQYMHSA-N 2 0 374.228 0.708 20 0 FCADRP C[C@@H](COCC(=O)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21)[NH+]1CCCC1 ZINC001218650704 855458573 /nfs/dbraw/zinc/45/85/73/855458573.db2.gz IBPGSTQKQZYDER-RYQLBKOJSA-N 2 0 351.491 0.809 20 0 FCADRP [NH3+][C@H](C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218698669 855466515 /nfs/dbraw/zinc/46/65/15/855466515.db2.gz KNQLCGZMEIKVDY-HNNXBMFYSA-N 2 0 353.854 0.837 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001218848137 855485621 /nfs/dbraw/zinc/48/56/21/855485621.db2.gz DDWUIPZMKHKKOL-UHFFFAOYSA-N 2 0 351.499 0.592 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965542 855504565 /nfs/dbraw/zinc/50/45/65/855504565.db2.gz NPDHWUYXJBPHKV-DLBZAZTESA-N 2 0 351.491 0.809 20 0 FCADRP Nc1c(F)cccc1N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1CC[NH2+]CC1 ZINC001219283435 855616191 /nfs/dbraw/zinc/61/61/91/855616191.db2.gz NUOIHPAXLZHCAP-ZDUSSCGKSA-N 3 0 355.483 0.512 20 0 FCADRP COCCNc1cccc(F)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219297025 855620816 /nfs/dbraw/zinc/62/08/16/855620816.db2.gz GDSRMPUWKDQSTM-CQSZACIVSA-N 2 0 353.442 0.573 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302977 855622436 /nfs/dbraw/zinc/62/24/36/855622436.db2.gz DHWWWVHHMUBINN-ZDUSSCGKSA-N 3 0 356.467 0.914 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302925 855622532 /nfs/dbraw/zinc/62/25/32/855622532.db2.gz BNVLAJFWNPAJGP-RKNYENMMSA-N 2 0 357.451 0.991 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)C[C@@H](O)C[NH3+] ZINC001219489810 855690601 /nfs/dbraw/zinc/69/06/01/855690601.db2.gz WAYYUJLNUCLJAZ-OAHLLOKOSA-N 2 0 350.463 0.874 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccc(I)cc1 ZINC001219554304 855711631 /nfs/dbraw/zinc/71/16/31/855711631.db2.gz ZZBHWEUXALXYHT-LBPRGKRZSA-N 2 0 361.227 0.839 20 0 FCADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219608298 855731809 /nfs/dbraw/zinc/73/18/09/855731809.db2.gz UHHGUSDWYFWIMJ-ABAIWWIYSA-N 2 0 357.380 0.545 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219736929 855792497 /nfs/dbraw/zinc/79/24/97/855792497.db2.gz LCYQQFQENITMRW-CVEARBPZSA-N 2 0 364.515 0.579 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219741755 855795061 /nfs/dbraw/zinc/79/50/61/855795061.db2.gz SSNJLECPPARRFT-TXPKVOOTSA-N 2 0 351.491 0.953 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219793628 855814373 /nfs/dbraw/zinc/81/43/73/855814373.db2.gz JJQWWXUNVHOQJS-BEFAXECRSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219793359 855815080 /nfs/dbraw/zinc/81/50/80/855815080.db2.gz DUDSCSYLBMFBGU-IEBWSBKVSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219794149 855815138 /nfs/dbraw/zinc/81/51/38/855815138.db2.gz RWWQDTZRMBIHIX-HNNXBMFYSA-N 3 0 350.507 0.478 20 0 FCADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798014 855818628 /nfs/dbraw/zinc/81/86/28/855818628.db2.gz CKNOYGKVYWKABM-KSZLIROESA-N 2 0 355.523 0.942 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc2c1CC[NH2+]C2 ZINC001219844740 855843260 /nfs/dbraw/zinc/84/32/60/855843260.db2.gz QKLONFNMJQDXRU-SJKOYZFVSA-N 2 0 351.472 0.519 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001219848791 855844684 /nfs/dbraw/zinc/84/46/84/855844684.db2.gz UXTPRRLNTJZCNQ-RDBSUJKOSA-N 2 0 369.428 0.703 20 0 FCADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219854121 855847235 /nfs/dbraw/zinc/84/72/35/855847235.db2.gz DERGRQYMGKSRCS-QXSJWSMHSA-N 2 0 350.488 0.188 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922703 855879887 /nfs/dbraw/zinc/87/98/87/855879887.db2.gz CHNJQEZHOZVOAF-OIISXLGYSA-N 2 0 355.523 0.962 20 0 FCADRP Cc1nn(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C)c1Br ZINC001219996826 855910712 /nfs/dbraw/zinc/91/07/12/855910712.db2.gz CNYHZYSKQALLGR-IUODEOHRSA-N 2 0 370.295 0.578 20 0 FCADRP C[NH2+]CCNC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220056152 855935693 /nfs/dbraw/zinc/93/56/93/855935693.db2.gz PGPCAOGGIUHRRL-GJZGRUSLSA-N 2 0 352.504 0.130 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220058079 855937553 /nfs/dbraw/zinc/93/75/53/855937553.db2.gz SAWOYASZMAMOKN-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CCCC1 ZINC001220077929 855948861 /nfs/dbraw/zinc/94/88/61/855948861.db2.gz BSFABRXFLOVNCE-BBWFWOEESA-N 2 0 353.507 0.981 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161285 855988023 /nfs/dbraw/zinc/98/80/23/855988023.db2.gz BGSRFHGIVJEBRY-MOROJQBDSA-N 2 0 352.479 0.336 20 0 FCADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209616 856009314 /nfs/dbraw/zinc/00/93/14/856009314.db2.gz XUKIDDCGTPNQFR-KURKYZTESA-N 2 0 353.507 0.981 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220335226 856071090 /nfs/dbraw/zinc/07/10/90/856071090.db2.gz JWBRBVRXOPOELV-ILXRZTDVSA-N 2 0 354.495 0.534 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387757 856100755 /nfs/dbraw/zinc/10/07/55/856100755.db2.gz POTAHNCMRQBPIT-ZACQAIPSSA-N 2 0 357.495 0.075 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC001220522590 856166066 /nfs/dbraw/zinc/16/60/66/856166066.db2.gz AOOSSWFGBLAVDC-CJNGLKHVSA-N 2 0 350.463 0.130 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])Cn1cccn1)c1ccc(Br)cc1 ZINC001220608828 856204813 /nfs/dbraw/zinc/20/48/13/856204813.db2.gz YUABQKJTIOLLIK-STQMWFEESA-N 2 0 352.236 0.789 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609614 856205847 /nfs/dbraw/zinc/20/58/47/856205847.db2.gz CFXLNSQZRTXTSP-MGPQQGTHSA-N 2 0 370.247 0.716 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611429 856206112 /nfs/dbraw/zinc/20/61/12/856206112.db2.gz XFGWKKZHTMMKOI-ZBUHCNDUSA-N 2 0 362.293 0.661 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)CC1 ZINC001220642408 856216907 /nfs/dbraw/zinc/21/69/07/856216907.db2.gz AFRSDPIPVWQNCB-CABCVRRESA-N 2 0 361.433 0.304 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])CC(C)(C)CC[NH3+] ZINC001220766346 856288021 /nfs/dbraw/zinc/28/80/21/856288021.db2.gz QNRMSXJJXGRCFZ-IHRRRGAJSA-N 2 0 356.511 0.815 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@@H]1O ZINC001220768547 856289406 /nfs/dbraw/zinc/28/94/06/856289406.db2.gz QOFCGRBJAIITLK-SJORKVTESA-N 2 0 369.893 0.622 20 0 FCADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220772200 856292306 /nfs/dbraw/zinc/29/23/06/856292306.db2.gz KMSZJLTWMXIYBS-LSDHHAIUSA-N 2 0 353.467 0.116 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790826 856302397 /nfs/dbraw/zinc/30/23/97/856302397.db2.gz UZTJFJSLBVMPIT-KKUMJFAQSA-N 2 0 351.476 0.003 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001220803100 856308265 /nfs/dbraw/zinc/30/82/65/856308265.db2.gz BUZDXABUUJAJMA-AVGNSLFASA-N 2 0 358.364 0.312 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220804784 856309219 /nfs/dbraw/zinc/30/92/19/856309219.db2.gz PNVLKUJFSHCOKZ-GHMZBOCLSA-N 2 0 358.368 0.156 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1csc(N2CC[NH2+]CC2)n1 ZINC001220806209 856309410 /nfs/dbraw/zinc/30/94/10/856309410.db2.gz ZAPAPAQNUIQZHV-NXEZZACHSA-N 2 0 363.409 0.823 20 0 FCADRP COC(=O)c1ccc(CNC(=O)C[NH2+]CCC[NH3+])c(Br)c1 ZINC001220847466 856335795 /nfs/dbraw/zinc/33/57/95/856335795.db2.gz VKRUIJNFLYQXTB-UHFFFAOYSA-N 2 0 358.236 0.790 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898276 856363042 /nfs/dbraw/zinc/36/30/42/856363042.db2.gz DPDCDORMUSJMEM-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CNC(=O)[C@@H]1CC[NH2+]C[C@H]1F)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900993 856364268 /nfs/dbraw/zinc/36/42/68/856364268.db2.gz ROYBLINWXKRBNI-HZPDHXFCSA-N 2 0 354.470 0.527 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C2COC2)CC1 ZINC001220931073 856379949 /nfs/dbraw/zinc/37/99/49/856379949.db2.gz XSCYERKVJWKBNF-VQHPVUNQSA-N 2 0 350.507 0.558 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976539 856404249 /nfs/dbraw/zinc/40/42/49/856404249.db2.gz CQEXBNFAVYTQAI-INIZCTEOSA-N 3 0 368.522 0.873 20 0 FCADRP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986019 856409049 /nfs/dbraw/zinc/40/90/49/856409049.db2.gz ORUQNNHSXZHVMC-ICAPBKMHSA-N 2 0 353.507 0.862 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004342 856417674 /nfs/dbraw/zinc/41/76/74/856417674.db2.gz NNQKNGBPIICYHU-VGWMRTNUSA-N 2 0 354.495 0.555 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221034940 856431186 /nfs/dbraw/zinc/43/11/86/856431186.db2.gz UWCPKJORLUANQW-MAUKXSAKSA-N 2 0 350.438 0.966 20 0 FCADRP O=C(C=C1CC[NH2+]CC1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149097 856485101 /nfs/dbraw/zinc/48/51/01/856485101.db2.gz XABYBUCAWMJPDW-UHFFFAOYSA-N 2 0 364.471 0.242 20 0 FCADRP NC(=[NH2+])N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(=O)C1(N)CC1 ZINC001221341141 856552698 /nfs/dbraw/zinc/55/26/98/856552698.db2.gz ONNDQCXNFGUAEQ-ZDUSSCGKSA-N 2 0 363.487 0.767 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccc(Cl)cc1 ZINC001221414998 856560197 /nfs/dbraw/zinc/56/01/97/856560197.db2.gz ZXGXYZSEZHBENU-HRCADAONSA-N 2 0 354.882 0.622 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616528 856625451 /nfs/dbraw/zinc/62/54/51/856625451.db2.gz OFBZSIKUJAAPKG-KZNAEPCWSA-N 2 0 353.507 0.791 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221973675 856755372 /nfs/dbraw/zinc/75/53/72/856755372.db2.gz JGMVAMJZQNICAJ-FGTMMUONSA-N 2 0 355.523 0.894 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892487 856880649 /nfs/dbraw/zinc/88/06/49/856880649.db2.gz QBCASXAOORVBOH-HFTRVMKXSA-N 2 0 350.507 0.774 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222892862 856881569 /nfs/dbraw/zinc/88/15/69/856881569.db2.gz SFFGOFXAMRXFDU-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1nocc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223917009 856951182 /nfs/dbraw/zinc/95/11/82/856951182.db2.gz ZEYZMDYUIXOWGY-WBVHZDCISA-N 2 0 350.463 0.984 20 0 FCADRP Cc1ncoc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916260 856951216 /nfs/dbraw/zinc/95/12/16/856951216.db2.gz DHGGBDGWNFBIOL-CVEARBPZSA-N 2 0 350.463 0.984 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346974 857036333 /nfs/dbraw/zinc/03/63/33/857036333.db2.gz TWTOACULNXSWOX-OAGGEKHMSA-N 2 0 354.495 0.250 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001226553942 857108900 /nfs/dbraw/zinc/10/89/00/857108900.db2.gz IVCMUVFPYZNYGX-BZUAXINKSA-N 2 0 354.474 0.975 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001226782317 857126074 /nfs/dbraw/zinc/12/60/74/857126074.db2.gz KNIOYQOGGHUIIO-MCIONIFRSA-N 2 0 350.463 0.293 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CCC1 ZINC001226817691 857127662 /nfs/dbraw/zinc/12/76/62/857127662.db2.gz HQMMTEZCYVWEGD-HZPDHXFCSA-N 2 0 359.536 0.922 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226941819 857133018 /nfs/dbraw/zinc/13/30/18/857133018.db2.gz HZOCBXDHHJSCCU-NFAWXSAZSA-N 2 0 355.483 0.045 20 0 FCADRP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227614282 857166897 /nfs/dbraw/zinc/16/68/97/857166897.db2.gz XCXYJSVMRHOULN-CBYDULDESA-N 2 0 351.491 0.903 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228269618 857199249 /nfs/dbraw/zinc/19/92/49/857199249.db2.gz HFRCUXIIHIBSPC-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001228354947 857205758 /nfs/dbraw/zinc/20/57/58/857205758.db2.gz FFCVVZHFJWAGRH-BZUAXINKSA-N 2 0 354.495 0.108 20 0 FCADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355523 857205910 /nfs/dbraw/zinc/20/59/10/857205910.db2.gz QFYUPWBKXSYSQL-HUUCEWRRSA-N 2 0 362.540 0.237 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001228603981 857218964 /nfs/dbraw/zinc/21/89/64/857218964.db2.gz VPLHSJSUFNNBNL-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389555 857267688 /nfs/dbraw/zinc/26/76/88/857267688.db2.gz QCQBEGHVCTZJOT-HZPDHXFCSA-N 2 0 354.495 0.250 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229495649 857272684 /nfs/dbraw/zinc/27/26/84/857272684.db2.gz IGGWKHIVZVJUOL-HUUCEWRRSA-N 2 0 352.479 0.494 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709650 857283352 /nfs/dbraw/zinc/28/33/52/857283352.db2.gz HLVGXNBTCVFTMZ-BZUAXINKSA-N 2 0 356.511 0.496 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229717295 857284301 /nfs/dbraw/zinc/28/43/01/857284301.db2.gz QADVZZAWSKDYRT-OAGGEKHMSA-N 2 0 354.495 0.202 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1)[NH+](C)C ZINC001229746047 857285004 /nfs/dbraw/zinc/28/50/04/857285004.db2.gz FPNIRVWGFCERON-MCIONIFRSA-N 2 0 351.451 0.970 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229801560 857287620 /nfs/dbraw/zinc/28/76/20/857287620.db2.gz RFKSAAHSZVSEKT-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229860356 857290210 /nfs/dbraw/zinc/29/02/10/857290210.db2.gz SHYKWYUQVJGFJG-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)NCC(F)(F)F ZINC001230141450 857306775 /nfs/dbraw/zinc/30/67/75/857306775.db2.gz LLAMGDIXERLBJN-CHWSQXEVSA-N 2 0 364.412 0.778 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001230141866 857306795 /nfs/dbraw/zinc/30/67/95/857306795.db2.gz WAPYDQFBUXCKQL-USXIJHARSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2nncs2)C1 ZINC001230138267 857306980 /nfs/dbraw/zinc/30/69/80/857306980.db2.gz MGSHBILYIMFUPU-JHJVBQTASA-N 2 0 366.491 0.445 20 0 FCADRP Clc1nc(N2CCOCC2)sc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234987048 857417004 /nfs/dbraw/zinc/41/70/04/857417004.db2.gz MDCFCIOJKDFYLV-OAHLLOKOSA-N 2 0 357.911 0.770 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC001235628066 857430361 /nfs/dbraw/zinc/43/03/61/857430361.db2.gz DMUHCVPVQRQPJY-GOSISDBHSA-N 2 0 351.422 0.999 20 0 FCADRP COC(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1OC ZINC001235869381 857432874 /nfs/dbraw/zinc/43/28/74/857432874.db2.gz CZNJZCDQJKDWIM-UHFFFAOYSA-N 2 0 350.463 0.066 20 0 FCADRP Fc1ncc(Br)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871312 857433852 /nfs/dbraw/zinc/43/38/52/857433852.db2.gz SFWGPHSQPQIZMM-UHFFFAOYSA-N 2 0 360.275 0.568 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235882880 857434595 /nfs/dbraw/zinc/43/45/95/857434595.db2.gz ROTALLJFLLYONC-YVSFHVDLSA-N 2 0 359.511 0.429 20 0 FCADRP CCS(=O)(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309416 857437575 /nfs/dbraw/zinc/43/75/75/857437575.db2.gz NMRYHQURESXCGJ-UHFFFAOYSA-N 2 0 370.519 0.096 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccnc1Br ZINC001236310379 857439067 /nfs/dbraw/zinc/43/90/67/857439067.db2.gz ZJCOXIIMVVBNFO-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ncc(C(F)(F)F)cc1F ZINC001236314073 857439602 /nfs/dbraw/zinc/43/96/02/857439602.db2.gz GIXZUUOYRPCGLT-UHFFFAOYSA-N 2 0 365.375 0.855 20 0 FCADRP CCOc1cc(OC)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236314082 857439737 /nfs/dbraw/zinc/43/97/37/857439737.db2.gz GVKBNZKDMQKLSJ-UHFFFAOYSA-N 2 0 352.479 0.710 20 0 FCADRP CCOC(=O)c1nc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])sc1C ZINC001236312497 857439940 /nfs/dbraw/zinc/43/99/40/857439940.db2.gz WFWOCCMPYBBCCL-UHFFFAOYSA-N 2 0 371.507 0.244 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC[C@@H]1C[NH2+]CCO1)CC1CC[NH2+]CC1 ZINC001236387088 857440816 /nfs/dbraw/zinc/44/08/16/857440816.db2.gz UJBLSPNCSFODSG-LJQANCHMSA-N 3 0 354.539 0.389 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1cccnc1OC1CC[NH2+]CC1 ZINC001237517856 857454149 /nfs/dbraw/zinc/45/41/49/857454149.db2.gz AQIHGTXROHORCG-UHFFFAOYSA-N 2 0 354.476 0.954 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NS(=O)(=O)CC[NH3+] ZINC001237985177 857460459 /nfs/dbraw/zinc/46/04/59/857460459.db2.gz HYEGWEURHBEEIJ-UHFFFAOYSA-N 2 0 356.492 0.926 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238240366 857465194 /nfs/dbraw/zinc/46/51/94/857465194.db2.gz HRWOXZOXFCDEPY-CQSZACIVSA-N 2 0 367.471 0.626 20 0 FCADRP COc1cccc(C2(CNS(=O)(=O)C3CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001238825838 857481229 /nfs/dbraw/zinc/48/12/29/857481229.db2.gz VYBCEWFBAPGEJM-UHFFFAOYSA-N 2 0 367.515 0.988 20 0 FCADRP [NH3+]CCC[C@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238839155 857483961 /nfs/dbraw/zinc/48/39/61/857483961.db2.gz CDRCXBGSWGJBBH-CABCVRRESA-N 2 0 355.460 0.119 20 0 FCADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1cncc(Br)c1 ZINC001238879862 857485632 /nfs/dbraw/zinc/48/56/32/857485632.db2.gz XQJPGWLNMHDWGC-UHFFFAOYSA-N 2 0 351.270 0.451 20 0 FCADRP [NH3+]CCS(=O)(=O)NCCCC[C@H]([NH3+])C(=O)SCc1ccccc1 ZINC001238895977 857486970 /nfs/dbraw/zinc/48/69/70/857486970.db2.gz QQBHDLBEMDCOPV-AWEZNQCLSA-N 2 0 359.517 0.822 20 0 FCADRP CCOC(=O)[C@H]1CC2(CN1S(=O)(=O)C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001238997916 857498383 /nfs/dbraw/zinc/49/83/83/857498383.db2.gz CWVXDERVHOSOKH-CQSZACIVSA-N 2 0 359.492 0.075 20 0 FCADRP CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502431 862919970 /nfs/dbraw/zinc/91/99/70/862919970.db2.gz QRKBWVCOGHQYHO-MJGOQNOKSA-N 2 0 352.523 0.583 20 0 FCADRP CCCc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131592 857517480 /nfs/dbraw/zinc/51/74/80/857517480.db2.gz RRHXNDDZZWXIDI-UHFFFAOYSA-N 2 0 370.519 0.444 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC001239131056 857517785 /nfs/dbraw/zinc/51/77/85/857517785.db2.gz JTPJVUMHTVASKN-UHFFFAOYSA-N 2 0 362.883 0.145 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001239131392 857518016 /nfs/dbraw/zinc/51/80/16/857518016.db2.gz OEYGFZVWMLGAIY-UHFFFAOYSA-N 2 0 368.503 0.369 20 0 FCADRP COc1cccc(CNC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239295630 857526762 /nfs/dbraw/zinc/52/67/62/857526762.db2.gz KUQKJLNHVWFERI-UHFFFAOYSA-N 2 0 351.451 0.021 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)Nc1ccc(F)c(F)c1 ZINC001239450942 857529402 /nfs/dbraw/zinc/52/94/02/857529402.db2.gz HYZFBSLMRTUGSU-UHFFFAOYSA-N 2 0 359.446 0.777 20 0 FCADRP CN(C)c1ccc(NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239450817 857529656 /nfs/dbraw/zinc/52/96/56/857529656.db2.gz HFFVNUVJKRKTSL-UHFFFAOYSA-N 2 0 366.535 0.565 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245981036 857562606 /nfs/dbraw/zinc/56/26/06/857562606.db2.gz DTZHPVLAGJOQGT-KSZLIROESA-N 2 0 351.491 0.638 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984154 857563524 /nfs/dbraw/zinc/56/35/24/857563524.db2.gz IFKJYIUJUNZVBS-IXDOHACOSA-N 3 0 355.429 0.696 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246216707 857571146 /nfs/dbraw/zinc/57/11/46/857571146.db2.gz NTDNELWQSYEXSJ-BCDXTJNWSA-N 3 0 359.511 0.274 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545297 857584537 /nfs/dbraw/zinc/58/45/37/857584537.db2.gz AVVRHCVETKNILV-ZFWWWQNUSA-N 2 0 352.472 0.896 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCN[C@@H](C(F)(F)F)C1)C2 ZINC001246674369 857589818 /nfs/dbraw/zinc/58/98/18/857589818.db2.gz RXNGWBOCGRUEIC-YKWBPFFISA-N 2 0 361.408 1.000 20 0 FCADRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699265 857592396 /nfs/dbraw/zinc/59/23/96/857592396.db2.gz ZLQOJQFDTQPBBU-ZWKOTPCHSA-N 2 0 352.523 0.141 20 0 FCADRP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)[C@@H]1CCC[NH2+]C1 ZINC001246739164 857595652 /nfs/dbraw/zinc/59/56/52/857595652.db2.gz NNSVPDIPNPFXRD-BFYDXBDKSA-N 2 0 357.520 0.834 20 0 FCADRP C[C@H]1C[C@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751423 857598536 /nfs/dbraw/zinc/59/85/36/857598536.db2.gz PIGFBOIPNIBTBK-DLBZAZTESA-N 2 0 352.523 0.630 20 0 FCADRP Brc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807500 857601084 /nfs/dbraw/zinc/60/10/84/857601084.db2.gz KKXOHXJKAPXLQW-CHWSQXEVSA-N 2 0 368.279 0.786 20 0 FCADRP Brc1cnc(O[C@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807501 857601757 /nfs/dbraw/zinc/60/17/57/857601757.db2.gz KKXOHXJKAPXLQW-OLZOCXBDSA-N 2 0 368.279 0.786 20 0 FCADRP CCOC(=O)c1csc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246817603 857602249 /nfs/dbraw/zinc/60/22/49/857602249.db2.gz SEHCCTCFDCWCDT-CYBMUJFWSA-N 2 0 365.503 0.536 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CCN1 ZINC001246855581 857602881 /nfs/dbraw/zinc/60/28/81/857602881.db2.gz OMDPXIURODWZHM-ZXFNITATSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)N1CC[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)C1 ZINC001246860085 857604663 /nfs/dbraw/zinc/60/46/63/857604663.db2.gz SJAJXUKOVWCTGC-NSIVTLKISA-N 2 0 351.447 0.548 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1C(F)(F)F ZINC001246936517 857606791 /nfs/dbraw/zinc/60/67/91/857606791.db2.gz LFXAWBDRFFODMF-YFKTTZPYSA-N 2 0 352.426 0.461 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCC([NH+]3CCC([NH3+])CC3)CC2)CN1 ZINC001246963191 857607910 /nfs/dbraw/zinc/60/79/10/857607910.db2.gz GVACNYBFOMWWIM-IRXDYDNUSA-N 2 0 352.523 0.946 20 0 FCADRP O=C([C@@H]1C[C@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246967062 857607974 /nfs/dbraw/zinc/60/79/74/857607974.db2.gz SUMHWRXLWDZFOX-IKGGRYGDSA-N 2 0 361.515 0.509 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCN[C@H](C(=O)OCC)C2)CCC12C[NH2+]C2 ZINC001247004953 857608807 /nfs/dbraw/zinc/60/88/07/857608807.db2.gz DWAQCMXNBRETQN-ZNMIVQPWSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CN[C@@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007266 857609120 /nfs/dbraw/zinc/60/91/20/857609120.db2.gz KBJZTCVMWSVUGH-SUNYJGFJSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+]([C@H]2CC[C@@H](C(=O)OCC)NC2)CCC12C[NH2+]C2 ZINC001247010945 857609458 /nfs/dbraw/zinc/60/94/58/857609458.db2.gz WWZHPJCDFUXBER-ZNMIVQPWSA-N 2 0 353.463 0.145 20 0 FCADRP O[C@@H](C[NH2+]CC1CC[NH+](C2COC2)CC1)COCC(F)(F)C(F)F ZINC001251649559 857739583 /nfs/dbraw/zinc/73/95/83/857739583.db2.gz CMAFFPORDRLRJN-ZDUSSCGKSA-N 2 0 358.376 0.965 20 0 FCADRP COC[C@@H](O)C[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001252819474 857844339 /nfs/dbraw/zinc/84/43/39/857844339.db2.gz ORNABEDYZWETKR-IBGZPJMESA-N 2 0 354.539 0.170 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CC1CCN(C(=O)C2CCOCC2)CC1 ZINC001253211090 857872601 /nfs/dbraw/zinc/87/26/01/857872601.db2.gz AAHNZQIPMAUDDL-SFHVURJKSA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001253209051 857872838 /nfs/dbraw/zinc/87/28/38/857872838.db2.gz WHNNCFHCYHYAEL-ARFHVFGLSA-N 2 0 359.511 0.897 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001253367975 857882997 /nfs/dbraw/zinc/88/29/97/857882997.db2.gz CMJRPVPOTNCHTD-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FCADRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C[C@H](O)C[NH2+]C(C)(C)C)CC[C@@H]21 ZINC001253391334 857884695 /nfs/dbraw/zinc/88/46/95/857884695.db2.gz ZTHPMQBPHHKPCL-TWMKSMIVSA-N 2 0 350.511 0.422 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)C1=O ZINC001254518703 857975515 /nfs/dbraw/zinc/97/55/15/857975515.db2.gz DCLPNMYNWGWMDM-KRWDZBQOSA-N 2 0 352.523 0.726 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517167 857975712 /nfs/dbraw/zinc/97/57/12/857975712.db2.gz FFRMSFIMBTYEII-IEBWSBKVSA-N 2 0 352.523 0.631 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803439 857986525 /nfs/dbraw/zinc/98/65/25/857986525.db2.gz BELBVWYUSVLBRZ-STQMWFEESA-N 2 0 357.451 0.492 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001255948082 858041661 /nfs/dbraw/zinc/04/16/61/858041661.db2.gz DTHHINZESYBPLG-CQSZACIVSA-N 2 0 353.467 0.084 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969348 858042845 /nfs/dbraw/zinc/04/28/45/858042845.db2.gz YOHYCJMNHHYZSX-NVXWUHKLSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H](Cc1ccncc1)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001256729960 858097438 /nfs/dbraw/zinc/09/74/38/858097438.db2.gz PPVCCMJVYBRNDQ-KRWDZBQOSA-N 2 0 355.479 0.627 20 0 FCADRP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001258015563 858173235 /nfs/dbraw/zinc/17/32/35/858173235.db2.gz WTKUBLINMMOICH-IRXDYDNUSA-N 2 0 350.507 0.870 20 0 FCADRP CCC[NH+]1CCC(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001258773444 858210672 /nfs/dbraw/zinc/21/06/72/858210672.db2.gz JPKSNWXCQFADLF-UHFFFAOYSA-N 2 0 356.492 0.956 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001262063646 858769508 /nfs/dbraw/zinc/76/95/08/858769508.db2.gz FKBRLENRSRDOLK-GOEBONIOSA-N 2 0 354.495 0.378 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001262567661 859002259 /nfs/dbraw/zinc/00/22/59/859002259.db2.gz ZLGPGIKVVCINTJ-QGZVFWFLSA-N 2 0 352.475 0.662 20 0 FCADRP [NH3+][C@@H](CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)Cc1cc(F)c(F)cc1F ZINC001263172981 859116801 /nfs/dbraw/zinc/11/68/01/859116801.db2.gz MKXSSWULDBLNDL-QLJPJBMISA-N 2 0 356.348 0.359 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001264099754 859312547 /nfs/dbraw/zinc/31/25/47/859312547.db2.gz NLFYFIKBAOJWOI-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001268198114 859525283 /nfs/dbraw/zinc/52/52/83/859525283.db2.gz RGDWYQSOIZWJCS-NVXWUHKLSA-N 2 0 352.523 0.975 20 0 FCADRP CCCC[C@H](CC)C[N@@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]21 ZINC001269992766 859624845 /nfs/dbraw/zinc/62/48/45/859624845.db2.gz YBFCPVUZGMKKHZ-JYJNAYRXSA-N 2 0 353.511 0.940 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270059976 859638187 /nfs/dbraw/zinc/63/81/87/859638187.db2.gz CCPHJSKSHKAHLV-JLVBRIDZSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001270489295 859770216 /nfs/dbraw/zinc/77/02/16/859770216.db2.gz FVZWTOSDWXBJNH-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652524 859986883 /nfs/dbraw/zinc/98/68/83/859986883.db2.gz NLGFXOIYCZSHKH-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001272825019 860273912 /nfs/dbraw/zinc/27/39/12/860273912.db2.gz JJUCBRMWQASVML-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001273334118 860456557 /nfs/dbraw/zinc/45/65/57/860456557.db2.gz SRYDQWAKCGHLNF-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273383947 860473199 /nfs/dbraw/zinc/47/31/99/860473199.db2.gz DLKXQOIKEFMDKL-HOTGVXAUSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001273452855 860493887 /nfs/dbraw/zinc/49/38/87/860493887.db2.gz DESOWCHVBOUTLX-MRXNPFEDSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@@H]3CC[N@H+](C)C3)(C1)C2 ZINC001273452916 860494081 /nfs/dbraw/zinc/49/40/81/860494081.db2.gz FJVHKYURFYUAEZ-VNCLNFNDSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)CC1 ZINC001273848004 860616446 /nfs/dbraw/zinc/61/64/46/860616446.db2.gz MEHOBUNFFKYUAI-HDICACEKSA-N 2 0 351.539 0.249 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)CCN(CC[NH+](C)C)C3)CC1 ZINC001273848692 860617316 /nfs/dbraw/zinc/61/73/16/860617316.db2.gz STJIQXWGUXUHJL-UHFFFAOYSA-N 2 0 351.539 0.108 20 0 FCADRP CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274305795 860727725 /nfs/dbraw/zinc/72/77/25/860727725.db2.gz OQBKJVGXYLJICN-MSOLQXFVSA-N 2 0 354.539 0.972 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274399923 860743173 /nfs/dbraw/zinc/74/31/73/860743173.db2.gz KHKMJCOXBUFRSM-LPHOPBHVSA-N 2 0 350.507 0.872 20 0 FCADRP COC(CN1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O)OC ZINC001275507874 861114821 /nfs/dbraw/zinc/11/48/21/861114821.db2.gz LEWITGTYTLVPSD-GOSISDBHSA-N 2 0 357.495 0.496 20 0 FCADRP CC[C@H](C(N)=O)N1CC2(CCC1=O)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275736174 861178975 /nfs/dbraw/zinc/17/89/75/861178975.db2.gz CQPIAFIKVOPNDO-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738088 861181878 /nfs/dbraw/zinc/18/18/78/861181878.db2.gz ULLGJUKPHJQSBI-KBXCAEBGSA-N 2 0 353.463 0.098 20 0 FCADRP C[NH+](C)CCNC(=S)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279975332 863161639 /nfs/dbraw/zinc/16/16/39/863161639.db2.gz FVONDOYDJDNFMK-IYBDPMFKSA-N 2 0 350.536 0.990 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279995276 863172263 /nfs/dbraw/zinc/17/22/63/863172263.db2.gz VJQORNYDYARRNA-IRXDYDNUSA-N 2 0 371.595 0.539 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280137171 863286692 /nfs/dbraw/zinc/28/66/92/863286692.db2.gz IIJMLTWOMODEJK-KRWDZBQOSA-N 3 0 350.507 0.430 20 0 FCADRP Cn1cnc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C(=O)NCC(F)F)c1 ZINC001280137136 863287292 /nfs/dbraw/zinc/28/72/92/863287292.db2.gz HMNWVYYFBRUBKX-ZIAGYGMSSA-N 2 0 355.433 0.816 20 0 FCADRP Cc1nc(CNC(=O)[C@H]2CCSC23C[NH+](CC2CC[NH2+]CC2)C3)no1 ZINC001280138500 863289343 /nfs/dbraw/zinc/28/93/43/863289343.db2.gz ZIWXRDDMVBHXSP-CQSZACIVSA-N 2 0 365.503 0.801 20 0 FCADRP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280140363 863290132 /nfs/dbraw/zinc/29/01/32/863290132.db2.gz JGOVBZWDHWBGPW-JKSUJKDBSA-N 2 0 350.463 0.168 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@H+](C[C@@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195816 863324980 /nfs/dbraw/zinc/32/49/80/863324980.db2.gz VSUXXOZOZYSWJX-SPUZQDLCSA-N 2 0 351.491 0.855 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C[C@H]1C[C@@H]2CN(CC[NH+](C)C)C[C@@H]2O1 ZINC001280221400 863344833 /nfs/dbraw/zinc/34/48/33/863344833.db2.gz OTJKPJLPOAXSHR-KURKYZTESA-N 2 0 354.539 0.828 20 0 FCADRP CC(C)NC(=O)N1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280245246 863356424 /nfs/dbraw/zinc/35/64/24/863356424.db2.gz AYWYEIGNIYZYEI-IRXDYDNUSA-N 2 0 353.511 0.127 20 0 FCADRP C[NH+]1CCN(CCC[NH+]2CC3(CN(C(=O)NCC(F)(F)F)C3)C2)CC1 ZINC001280246433 863357711 /nfs/dbraw/zinc/35/77/11/863357711.db2.gz YNRLGLPVVHOZHR-UHFFFAOYSA-N 2 0 363.428 0.513 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)C1 ZINC001280256196 863363093 /nfs/dbraw/zinc/36/30/93/863363093.db2.gz BOAIVKFMTXKQMN-RDJZCZTQSA-N 2 0 351.491 0.429 20 0 FCADRP C[C@H](O)CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001281577975 863526932 /nfs/dbraw/zinc/52/69/32/863526932.db2.gz QAIZEUTVGQMWKA-LZLYRXPVSA-N 2 0 352.523 0.316 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001281617238 863542427 /nfs/dbraw/zinc/54/24/27/863542427.db2.gz CXDDNEZMKLWCSO-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281848401 863818915 /nfs/dbraw/zinc/81/89/15/863818915.db2.gz SSUGEPFMHGWYMR-INMHGKMJSA-N 2 0 356.511 0.256 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nn1 ZINC001349273309 866287116 /nfs/dbraw/zinc/28/71/16/866287116.db2.gz QFRANZLATLNYSF-HOCLYGCPSA-N 2 0 350.467 0.376 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001351213717 866814730 /nfs/dbraw/zinc/81/47/30/866814730.db2.gz UFWJWNICCRAJCN-USXIJHARSA-N 2 0 353.511 0.173 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001313401201 867276259 /nfs/dbraw/zinc/27/62/59/867276259.db2.gz QSQYICNGFJARNO-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001316596599 867361134 /nfs/dbraw/zinc/36/11/34/867361134.db2.gz LSFLHWNOGYZIPO-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[NH+](C)C)c1 ZINC001353238115 867378578 /nfs/dbraw/zinc/37/85/78/867378578.db2.gz IDXCLRLDBOXDKH-OAHLLOKOSA-N 2 0 350.463 0.658 20 0 FCADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458403 867427767 /nfs/dbraw/zinc/42/77/67/867427767.db2.gz REOMPSFHCSWAFJ-CVEARBPZSA-N 2 0 354.495 0.291 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759777 867459834 /nfs/dbraw/zinc/45/98/34/867459834.db2.gz JKUGWDVUFUXGAF-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H](O)CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317819175 867561257 /nfs/dbraw/zinc/56/12/57/867561257.db2.gz SKHFMGASELCQCV-RCCFBDPRSA-N 2 0 354.539 0.564 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001320000272 868054111 /nfs/dbraw/zinc/05/41/11/868054111.db2.gz UGKPWMGLDQLLEE-GDBMZVCRSA-N 2 0 359.536 0.542 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1C ZINC001320231249 868115544 /nfs/dbraw/zinc/11/55/44/868115544.db2.gz LGNBDKJQTCQGSH-VNQPRFMTSA-N 2 0 351.495 0.545 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001321371772 868448746 /nfs/dbraw/zinc/44/87/46/868448746.db2.gz RHRCLPXARBNRGT-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001325386493 869871210 /nfs/dbraw/zinc/87/12/10/869871210.db2.gz RGCFCRZINOAQFU-ZFWWWQNUSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)CC[NH2+]CC2 ZINC001326139887 870180987 /nfs/dbraw/zinc/18/09/87/870180987.db2.gz CSKQHIOTBHMDFD-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCC(n2nnnc2N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC001344359333 870841179 /nfs/dbraw/zinc/84/11/79/870841179.db2.gz PCQXHHSBJQHQDD-UHFFFAOYSA-N 2 0 351.499 0.611 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC001327585419 870957885 /nfs/dbraw/zinc/95/78/85/870957885.db2.gz WENXGEBPBNWDNQ-WBVHZDCISA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001345166664 871211466 /nfs/dbraw/zinc/21/14/66/871211466.db2.gz JXTYNRFVIVZFSZ-JKSUJKDBSA-N 2 0 354.495 0.332 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001345616079 871431564 /nfs/dbraw/zinc/43/15/64/871431564.db2.gz BDUCYZUKNKBQDK-SFHVURJKSA-N 2 0 369.531 0.741 20 0 FCADRP C/C(=C\C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001345921576 871562315 /nfs/dbraw/zinc/56/23/15/871562315.db2.gz PVFPEWCPYVSLRP-UTZIXYHNSA-N 2 0 350.507 0.849 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001328813588 871641129 /nfs/dbraw/zinc/64/11/29/871641129.db2.gz JPEPZDXBPZJXKC-KXBFYZLASA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC001346521495 871881102 /nfs/dbraw/zinc/88/11/02/871881102.db2.gz YAGMPDRWSQJGPW-DOTOQJQBSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@@H](C)C1 ZINC001346550429 871895624 /nfs/dbraw/zinc/89/56/24/871895624.db2.gz YDELCSFFIPPECJ-HRCADAONSA-N 2 0 354.495 0.242 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@H](C)C1 ZINC001346550532 871896172 /nfs/dbraw/zinc/89/61/72/871896172.db2.gz YDELCSFFIPPECJ-PMPSAXMXSA-N 2 0 354.495 0.242 20 0 FCADRP C[C@H]1CN(C(=O)NCCN2CCC3(C2)OCCO3)CC[N@@H+](C2CC2)C1 ZINC001346553836 871899554 /nfs/dbraw/zinc/89/95/54/871899554.db2.gz LWHJAMOHEUCBTL-OAHLLOKOSA-N 2 0 352.479 0.561 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCN3CCC4(C3)OCCO4)C2)C1 ZINC001346553848 871900926 /nfs/dbraw/zinc/90/09/26/871900926.db2.gz MKDOBBPBYWTYQB-KRWDZBQOSA-N 2 0 352.479 0.563 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001329314922 871949596 /nfs/dbraw/zinc/94/95/96/871949596.db2.gz DCIBZONUKDJXSH-ZBFHGGJFSA-N 2 0 360.524 0.133 20 0 FCADRP C[C@@](CN)([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001329491486 872064535 /nfs/dbraw/zinc/06/45/35/872064535.db2.gz TVDSUSQPIZTEOP-KRWDZBQOSA-N 2 0 368.503 0.100 20 0 FCADRP C/C(=C/C(=O)NCC1CC[NH+](C)CC1)C(=O)NCC1CC[NH+](C)CC1 ZINC001347554616 872389168 /nfs/dbraw/zinc/38/91/68/872389168.db2.gz QXHWGWFKDJPHHY-QINSGFPZSA-N 2 0 350.507 0.849 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001330534899 872690955 /nfs/dbraw/zinc/69/09/55/872690955.db2.gz VJTONFACLNHPAN-INIZCTEOSA-N 2 0 353.511 0.842 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001330593639 872722939 /nfs/dbraw/zinc/72/29/39/872722939.db2.gz VSXCREJZJRGZHI-JQWIXIFHSA-N 2 0 354.405 0.964 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC001331129014 872973007 /nfs/dbraw/zinc/97/30/07/872973007.db2.gz ZVTFSSPTFMOQMF-WCVJEAGWSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332692644 873618441 /nfs/dbraw/zinc/61/84/41/873618441.db2.gz IFUIKQHMSIJAKY-BXWFABGCSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332692645 873618507 /nfs/dbraw/zinc/61/85/07/873618507.db2.gz IFUIKQHMSIJAKY-GJYPPUQNSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001333262686 873882314 /nfs/dbraw/zinc/88/23/14/873882314.db2.gz RIESZAHYVCVVEX-FGTMMUONSA-N 2 0 350.507 0.430 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001336647821 874023463 /nfs/dbraw/zinc/02/34/63/874023463.db2.gz JXFLIPPHKUYGPR-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826038390 947417111 /nfs/dbraw/zinc/41/71/11/947417111.db2.gz MLRAXSKGBLTKFU-QGZVFWFLSA-N 2 0 359.478 0.469 20 0 FCADRP C[C@H](C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573732812 948609393 /nfs/dbraw/zinc/60/93/93/948609393.db2.gz YLWJJQUVVRBWDM-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573743135 948668325 /nfs/dbraw/zinc/66/83/25/948668325.db2.gz YLWJJQUVVRBWDM-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918211 948842500 /nfs/dbraw/zinc/84/25/00/948842500.db2.gz HIWCFTAYZFLXBG-CQSZACIVSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926724 949018218 /nfs/dbraw/zinc/01/82/18/949018218.db2.gz VZOWBERILCHXNJ-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574956752 949588989 /nfs/dbraw/zinc/58/89/89/949588989.db2.gz MXWIAOLZSQGZKB-GZBFAFLISA-N 2 0 357.462 0.801 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957342 949606760 /nfs/dbraw/zinc/60/67/60/949606760.db2.gz VOFSTPKBJHUOIU-NQBHXWOUSA-N 2 0 363.491 0.863 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575281687 949810871 /nfs/dbraw/zinc/81/08/71/949810871.db2.gz AGPGUZFZGVNSPR-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724064 949868030 /nfs/dbraw/zinc/86/80/30/949868030.db2.gz FCAOQWYRUPAPCR-CYBMUJFWSA-N 2 0 374.493 0.920 20 0 FCADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575907605 950337797 /nfs/dbraw/zinc/33/77/97/950337797.db2.gz PMBRRPNWWUXWOX-DGCLKSJQSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196695 950365935 /nfs/dbraw/zinc/36/59/35/950365935.db2.gz GAHHAXZAFUPHEJ-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570981062 950566338 /nfs/dbraw/zinc/56/63/38/950566338.db2.gz BAKIAENZNXAIOH-OAHLLOKOSA-N 2 0 356.434 0.181 20 0 FCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575928135 950776723 /nfs/dbraw/zinc/77/67/23/950776723.db2.gz YZHUTJITSNLEMZ-OCCSQVGLSA-N 2 0 356.434 0.181 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[NH+](C)C ZINC001575091754 951783476 /nfs/dbraw/zinc/78/34/76/951783476.db2.gz XOGMANHZAZCJDN-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[NH+](C)C ZINC001575106551 951905303 /nfs/dbraw/zinc/90/53/03/951905303.db2.gz SATWQFNFQYLKLO-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106843 951906826 /nfs/dbraw/zinc/90/68/26/951906826.db2.gz VJAVIAIEMTXCNI-XJKSGUPXSA-N 2 0 357.462 0.660 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106837 951907138 /nfs/dbraw/zinc/90/71/38/951907138.db2.gz VJAVIAIEMTXCNI-BBRMVZONSA-N 2 0 357.462 0.660 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063301 951965078 /nfs/dbraw/zinc/96/50/78/951965078.db2.gz KGAOHPHUGRYFKH-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063300 951965437 /nfs/dbraw/zinc/96/54/37/951965437.db2.gz KGAOHPHUGRYFKH-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001571078423 952129311 /nfs/dbraw/zinc/12/93/11/952129311.db2.gz QAPVTVQRJPIIJP-UHFFFAOYSA-N 2 0 370.461 0.689 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575147730 952200716 /nfs/dbraw/zinc/20/07/16/952200716.db2.gz VDNIWHXRTFVEDT-CYBMUJFWSA-N 2 0 372.477 0.674 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571105132 952389732 /nfs/dbraw/zinc/38/97/32/952389732.db2.gz IKRNJQWXCCTITR-WFASDCNBSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105211 952391039 /nfs/dbraw/zinc/39/10/39/952391039.db2.gz KBUMCJQGMCVAOI-DZGCQCFKSA-N 2 0 373.436 0.648 20 0 FCADRP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000291474036 214036812 /nfs/dbraw/zinc/03/68/12/214036812.db2.gz POMGRRJLHJZAPW-FGTMMUONSA-N 2 0 366.531 0.883 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961735 529797382 /nfs/dbraw/zinc/79/73/82/529797382.db2.gz IUSAIBMWFLCGDA-MVJTYMMSSA-N 2 0 360.502 0.624 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410843289 529861559 /nfs/dbraw/zinc/86/15/59/529861559.db2.gz MOJCDMNRDOPGQW-MRXNPFEDSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410491921 529865235 /nfs/dbraw/zinc/86/52/35/529865235.db2.gz INOWZVSRNPYHSC-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)(N2CCOCC2)CC1 ZINC000412461302 530049354 /nfs/dbraw/zinc/04/93/54/530049354.db2.gz IKBJQGDSSRVOHW-QGZVFWFLSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000331536829 215011748 /nfs/dbraw/zinc/01/17/48/215011748.db2.gz DRBYDSYCHOJNHG-MAUKXSAKSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000331590619 215020297 /nfs/dbraw/zinc/02/02/97/215020297.db2.gz YGWYELDJCOSBNB-VVLHAWIVSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000331600572 215021197 /nfs/dbraw/zinc/02/11/97/215021197.db2.gz OTJMSBORMHDGKF-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331625465 215025534 /nfs/dbraw/zinc/02/55/34/215025534.db2.gz KOUHTLVOVXQOPV-KEYYUXOJSA-N 2 0 354.520 0.235 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691997 215034879 /nfs/dbraw/zinc/03/48/79/215034879.db2.gz VDWBQRSAUHCODY-VKJFTORMSA-N 2 0 368.547 0.483 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC000331819970 215051095 /nfs/dbraw/zinc/05/10/95/215051095.db2.gz PRMWUNZYYDCNSN-DLBZAZTESA-N 2 0 350.507 0.907 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331860144 215058006 /nfs/dbraw/zinc/05/80/06/215058006.db2.gz BFQOXSXYKXLTLX-JONQDZQNSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331909568 215066941 /nfs/dbraw/zinc/06/69/41/215066941.db2.gz AOEPHVUORYGHEJ-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331945276 215070237 /nfs/dbraw/zinc/07/02/37/215070237.db2.gz HBZFBAWUOVAGDS-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)C[NH2+]1 ZINC000332098415 215093507 /nfs/dbraw/zinc/09/35/07/215093507.db2.gz XTSZWPGRCHMBPN-YALNPMBYSA-N 2 0 366.506 0.079 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000332321187 215129475 /nfs/dbraw/zinc/12/94/75/215129475.db2.gz LJZAJEORNMMAFP-BRWVUGGUSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332292365 215123814 /nfs/dbraw/zinc/12/38/14/215123814.db2.gz CTDZCJOOOLWGDD-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000332341679 215134322 /nfs/dbraw/zinc/13/43/22/215134322.db2.gz XFHHVGGNAVXKLP-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000332450656 215153922 /nfs/dbraw/zinc/15/39/22/215153922.db2.gz FIEKBNMDCKGGBU-OFLPRAFFSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000332522708 215167982 /nfs/dbraw/zinc/16/79/82/215167982.db2.gz QEVLXXKUPVEADB-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000332537927 215173955 /nfs/dbraw/zinc/17/39/55/215173955.db2.gz VIHSHPWRWZCPKJ-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332575149 215183259 /nfs/dbraw/zinc/18/32/59/215183259.db2.gz YPKHHFCJFATCLF-KRWDZBQOSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000332614486 215190042 /nfs/dbraw/zinc/19/00/42/215190042.db2.gz AVPCZQPCGIZAAZ-BHYGNILZSA-N 2 0 350.507 0.905 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332624571 215192349 /nfs/dbraw/zinc/19/23/49/215192349.db2.gz RUYSBHZREWRLFJ-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1(C)C ZINC000333025018 215225334 /nfs/dbraw/zinc/22/53/34/215225334.db2.gz AYIRYGQVAQHNHT-UHFFFAOYSA-N 2 0 355.527 0.111 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000333295020 215259299 /nfs/dbraw/zinc/25/92/99/215259299.db2.gz JTGUJDPKKUALGP-INIZCTEOSA-N 2 0 359.478 0.978 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCC1 ZINC000333300278 215261082 /nfs/dbraw/zinc/26/10/82/215261082.db2.gz BTPWQJBPTZTVBW-OAHLLOKOSA-N 2 0 351.495 0.419 20 0 FCADRP CS[C@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1[NH+](C)C ZINC000333365829 215270988 /nfs/dbraw/zinc/27/09/88/215270988.db2.gz UIHCSXBWUILSGO-KBPBESRZSA-N 2 0 365.507 0.396 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333405211 215277133 /nfs/dbraw/zinc/27/71/33/215277133.db2.gz ZERUPMHZVMSAIZ-CVEARBPZSA-N 2 0 359.478 0.977 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333618509 215302610 /nfs/dbraw/zinc/30/26/10/215302610.db2.gz RIHQFWFSOZTGRT-HRCADAONSA-N 2 0 350.507 0.871 20 0 FCADRP CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000333628664 215303364 /nfs/dbraw/zinc/30/33/64/215303364.db2.gz GFPDYFSICBQPGD-QWHCGFSZSA-N 2 0 351.417 0.606 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000333659230 215305758 /nfs/dbraw/zinc/30/57/58/215305758.db2.gz LHUZSLPCQZHNGR-OKZBNKHCSA-N 2 0 367.538 0.693 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333871747 215327614 /nfs/dbraw/zinc/32/76/14/215327614.db2.gz BVBHKTGXGHBNNK-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333935192 215331951 /nfs/dbraw/zinc/33/19/51/215331951.db2.gz JGMGRWCLZUJSMH-MRXNPFEDSA-N 2 0 351.495 0.324 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000360915864 215376075 /nfs/dbraw/zinc/37/60/75/215376075.db2.gz ZOYDZMQLTTVYDX-JYJNAYRXSA-N 2 0 369.506 0.875 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545927 213356837 /nfs/dbraw/zinc/35/68/37/213356837.db2.gz IFEONXSMHZRTJB-PBHICJAKSA-N 2 0 371.485 0.897 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C2CC2)o1 ZINC000285226470 213307109 /nfs/dbraw/zinc/30/71/09/213307109.db2.gz XEBXSCCENDOODQ-UHFFFAOYSA-N 2 0 350.463 0.689 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000285042171 213272343 /nfs/dbraw/zinc/27/23/43/213272343.db2.gz NTJLXQPADKHBPN-KRWDZBQOSA-N 2 0 362.474 0.072 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284887454 213240753 /nfs/dbraw/zinc/24/07/53/213240753.db2.gz LPMYGXBKSYTSDU-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000284415421 213133724 /nfs/dbraw/zinc/13/37/24/213133724.db2.gz JUQMCSXPOROSLA-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000284050274 213063842 /nfs/dbraw/zinc/06/38/42/213063842.db2.gz KFFSROSDLYCUJN-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000284014114 213055049 /nfs/dbraw/zinc/05/50/49/213055049.db2.gz IKRGRVCIDUUIPC-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP O=C(NCCn1ccnc1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000283908679 213032298 /nfs/dbraw/zinc/03/22/98/213032298.db2.gz LEHRCVYXTBFXFZ-KRWDZBQOSA-N 2 0 355.442 0.780 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000283772892 213006651 /nfs/dbraw/zinc/00/66/51/213006651.db2.gz RQRWJBSEDNCWHS-UHFFFAOYSA-N 2 0 361.490 0.620 20 0 FCADRP C[C@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000413253312 237303012 /nfs/dbraw/zinc/30/30/12/237303012.db2.gz UPKJXQOPOGVIRN-MRXNPFEDSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871669 216044836 /nfs/dbraw/zinc/04/48/36/216044836.db2.gz VBSSEVKQSXJLFO-HNNXBMFYSA-N 2 0 350.507 0.907 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000366903458 216048009 /nfs/dbraw/zinc/04/80/09/216048009.db2.gz GXUMGMICMSRGAD-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367186842 216088972 /nfs/dbraw/zinc/08/89/72/216088972.db2.gz PZDFPLHMJMFMEB-MSOLQXFVSA-N 2 0 369.554 0.622 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174225 216086127 /nfs/dbraw/zinc/08/61/27/216086127.db2.gz PJPUNHBNQPYIFM-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)NCC(C)(C)N4CCOCC4)[C@H]1[C@H]3C2 ZINC000367598909 216141442 /nfs/dbraw/zinc/14/14/42/216141442.db2.gz AQUTYDVZWAPCDG-FTAMUGHTSA-N 2 0 351.491 0.569 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000367999769 216190872 /nfs/dbraw/zinc/19/08/72/216190872.db2.gz VYJQCCHNNIKRHF-FMKPAKJESA-N 2 0 355.479 0.615 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368188351 216213382 /nfs/dbraw/zinc/21/33/82/216213382.db2.gz CFELCPYYIRKBMR-IAGOWNOFSA-N 2 0 355.527 0.375 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000246619865 209392945 /nfs/dbraw/zinc/39/29/45/209392945.db2.gz FBLKFSBBCGZASQ-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000237957871 209362897 /nfs/dbraw/zinc/36/28/97/209362897.db2.gz QGGDYENIZOVNNV-ZYSHUDEJSA-N 2 0 370.497 0.808 20 0 FCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000238018232 209361951 /nfs/dbraw/zinc/36/19/51/209361951.db2.gz BVZPSKXJUYXRDR-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP C[C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237559784 209354207 /nfs/dbraw/zinc/35/42/07/209354207.db2.gz QVEINRBTHCFFGG-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237362319 209350690 /nfs/dbraw/zinc/35/06/90/209350690.db2.gz FYALAXDPGARYNR-DYVFJYSZSA-N 2 0 350.438 0.743 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000237228154 209349311 /nfs/dbraw/zinc/34/93/11/209349311.db2.gz GKOXZJAUFJPHGI-KRWDZBQOSA-N 2 0 366.487 0.561 20 0 FCADRP C[NH2+]C[C@@H](C)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000237220281 209349026 /nfs/dbraw/zinc/34/90/26/209349026.db2.gz MIAMOQYLNGTBPX-OAHLLOKOSA-N 2 0 362.474 0.819 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368576531 216266380 /nfs/dbraw/zinc/26/63/80/216266380.db2.gz JOWQMZMHMLKCRF-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368658709 216277834 /nfs/dbraw/zinc/27/78/34/216277834.db2.gz MNCLEIHTUAABOG-ROUUACIJSA-N 2 0 352.523 0.506 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825961 216301969 /nfs/dbraw/zinc/30/19/69/216301969.db2.gz PDQXODRPEAYVBK-INIZCTEOSA-N 2 0 367.538 0.959 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369395060 216394665 /nfs/dbraw/zinc/39/46/65/216394665.db2.gz YFJXZCGLFYUOCW-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369402971 216398928 /nfs/dbraw/zinc/39/89/28/216398928.db2.gz SXRYYGCTCNBOHD-ZWKOTPCHSA-N 2 0 366.554 0.044 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188748925 209239247 /nfs/dbraw/zinc/23/92/47/209239247.db2.gz JWQPIZADFOBVEI-GJZGRUSLSA-N 2 0 360.506 0.686 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187192274 209207150 /nfs/dbraw/zinc/20/71/50/209207150.db2.gz PHQDTGHRFOKRDM-DLBZAZTESA-N 2 0 370.538 0.830 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2c(c1)nnn2C ZINC000185734251 209181043 /nfs/dbraw/zinc/18/10/43/209181043.db2.gz FUFRZXLEEPICSZ-OAHLLOKOSA-N 2 0 359.478 0.851 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[NH+](C)C ZINC000414685532 245311517 /nfs/dbraw/zinc/31/15/17/245311517.db2.gz ZOCSGAMQHOTZLR-GOEBONIOSA-N 2 0 361.490 0.929 20 0 FCADRP COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414751956 245319547 /nfs/dbraw/zinc/31/95/47/245319547.db2.gz BCGVGGOKBOKJPQ-INIZCTEOSA-N 2 0 363.458 0.868 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000414820759 245324180 /nfs/dbraw/zinc/32/41/80/245324180.db2.gz DDUHDRVRZYKEPK-QGZVFWFLSA-N 2 0 374.485 0.915 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000414915430 245332994 /nfs/dbraw/zinc/33/29/94/245332994.db2.gz MTAWJMCVIABQBA-KRWDZBQOSA-N 2 0 350.488 0.898 20 0 FCADRP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1)N1CCOCC1 ZINC000415344495 245394175 /nfs/dbraw/zinc/39/41/75/245394175.db2.gz NQEOJOSLXJWNKJ-HUUCEWRRSA-N 2 0 360.458 0.839 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179936 217106273 /nfs/dbraw/zinc/10/62/73/217106273.db2.gz XEFODQXLUBKVGV-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP COCCN1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1=O ZINC000374606284 217147298 /nfs/dbraw/zinc/14/72/98/217147298.db2.gz UYONNZGEBVOGIJ-UHFFFAOYSA-N 2 0 367.494 0.003 20 0 FCADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(=O)N1CCOCC1 ZINC000182013238 209126839 /nfs/dbraw/zinc/12/68/39/209126839.db2.gz XHUXWGIYIBGAPD-KRWDZBQOSA-N 2 0 362.474 0.196 20 0 FCADRP OC1(C[NH+]2CCOCC2)CCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000375619071 217291332 /nfs/dbraw/zinc/29/13/32/217291332.db2.gz CGTUCDSXEYTOOE-UHFFFAOYSA-N 2 0 357.458 0.926 20 0 FCADRP C[C@H](CNC(=O)Cc1ccc(CC(=O)NC[C@@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000274199138 211803956 /nfs/dbraw/zinc/80/39/56/211803956.db2.gz RHIKFZLEIAMZMU-HZPDHXFCSA-N 2 0 362.518 0.904 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000417663744 245712216 /nfs/dbraw/zinc/71/22/16/245712216.db2.gz AOQKSCCKLMQHCM-IKGGRYGDSA-N 2 0 355.527 0.326 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000417501913 245703071 /nfs/dbraw/zinc/70/30/71/245703071.db2.gz ASDYKVAVTLYYKN-UHFFFAOYSA-N 2 0 363.506 0.374 20 0 FCADRP CCOC(=O)CN(C)C(=O)CN1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901394 217331354 /nfs/dbraw/zinc/33/13/54/217331354.db2.gz BSKJXZHCFXDMGF-INIZCTEOSA-N 2 0 354.495 0.108 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[NH2+]CC1 ZINC000375964594 217338961 /nfs/dbraw/zinc/33/89/61/217338961.db2.gz OCQBZNULOHQJCQ-OAHLLOKOSA-N 2 0 351.472 0.156 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417849183 245730702 /nfs/dbraw/zinc/73/07/02/245730702.db2.gz LHHZBFVIPYSQMF-MCIONIFRSA-N 2 0 365.444 0.995 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCC1 ZINC000418823948 245849134 /nfs/dbraw/zinc/84/91/34/245849134.db2.gz ADAISNGBCJXXCU-BZUAXINKSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894345 245894630 /nfs/dbraw/zinc/89/46/30/245894630.db2.gz BAORBWOZXQDCPU-LSDHHAIUSA-N 2 0 368.522 0.986 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418955404 245925323 /nfs/dbraw/zinc/92/53/23/245925323.db2.gz XXSKUCPKNAIPFZ-USXIJHARSA-N 2 0 368.522 0.578 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000418942183 245919875 /nfs/dbraw/zinc/91/98/75/245919875.db2.gz AKYQRGZCCPLLML-GOSISDBHSA-N 2 0 374.485 0.631 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418998949 245938063 /nfs/dbraw/zinc/93/80/63/245938063.db2.gz MVONBOVQXSQAGX-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419130226 246004231 /nfs/dbraw/zinc/00/42/31/246004231.db2.gz DZBGMXZCBSULJR-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000419153635 246019848 /nfs/dbraw/zinc/01/98/48/246019848.db2.gz PBDMDIKDBBXQTH-INIZCTEOSA-N 2 0 369.469 0.952 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158811 246024912 /nfs/dbraw/zinc/02/49/12/246024912.db2.gz YIZOERTWGDQOKX-KGLIPLIRSA-N 2 0 352.504 0.930 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419132395 246006627 /nfs/dbraw/zinc/00/66/27/246006627.db2.gz HODWNBMKZSYTCD-KRWDZBQOSA-N 2 0 374.485 0.502 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132499 246007627 /nfs/dbraw/zinc/00/76/27/246007627.db2.gz BOGXWHZZSLRYMF-NVXWUHKLSA-N 2 0 362.474 0.247 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000419135493 246009602 /nfs/dbraw/zinc/00/96/02/246009602.db2.gz MXEZVZPCEQKABZ-QXSJWSMHSA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000419162920 246025791 /nfs/dbraw/zinc/02/57/91/246025791.db2.gz VQEOOQRBVRSDOE-LTIDMASMSA-N 2 0 350.507 0.727 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419145117 246015778 /nfs/dbraw/zinc/01/57/78/246015778.db2.gz YEACDJWVIUSGCQ-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419149225 246017893 /nfs/dbraw/zinc/01/78/93/246017893.db2.gz KWAYUIVUGRNEBQ-DLBZAZTESA-N 2 0 374.485 0.311 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000419163804 246028359 /nfs/dbraw/zinc/02/83/59/246028359.db2.gz XQEREAINDLTZFH-CEXWTWQISA-N 2 0 370.497 0.926 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168345 246031024 /nfs/dbraw/zinc/03/10/24/246031024.db2.gz RRFGVVZZACPOQZ-KRWDZBQOSA-N 2 0 362.474 0.119 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419176468 246034638 /nfs/dbraw/zinc/03/46/38/246034638.db2.gz ZFQLJXNJRGDOGC-JKSUJKDBSA-N 2 0 354.495 0.333 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419175983 246034683 /nfs/dbraw/zinc/03/46/83/246034683.db2.gz YLFNHNOVGOVMSE-BRWVUGGUSA-N 2 0 368.522 0.722 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176115 246034757 /nfs/dbraw/zinc/03/47/57/246034757.db2.gz YQHLKAHPFDDWNB-AEFFLSMTSA-N 2 0 358.486 0.521 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1(C)C ZINC000419179366 246037171 /nfs/dbraw/zinc/03/71/71/246037171.db2.gz IHVASKKZLVMSBY-HNNXBMFYSA-N 2 0 367.538 0.023 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419182516 246039195 /nfs/dbraw/zinc/03/91/95/246039195.db2.gz CGXVACVHEAIGMK-SFHVURJKSA-N 2 0 374.485 0.262 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419182578 246039465 /nfs/dbraw/zinc/03/94/65/246039465.db2.gz CLYKGKJZTMHFBZ-QGZVFWFLSA-N 2 0 367.538 0.152 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419181131 246039478 /nfs/dbraw/zinc/03/94/78/246039478.db2.gz XXKPGFRDKKRAAU-OAGGEKHMSA-N 2 0 373.501 0.932 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419188151 246041407 /nfs/dbraw/zinc/04/14/07/246041407.db2.gz JVLFKKPGNCBZDU-GOSISDBHSA-N 2 0 358.486 0.678 20 0 FCADRP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cn2)CC1 ZINC000419196939 246046204 /nfs/dbraw/zinc/04/62/04/246046204.db2.gz AJQHGDGFWJXKIY-HNNXBMFYSA-N 2 0 359.474 0.754 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419216427 246059301 /nfs/dbraw/zinc/05/93/01/246059301.db2.gz PNSKAXJQBHYPEE-GDBMZVCRSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419216429 246060527 /nfs/dbraw/zinc/06/05/27/246060527.db2.gz PNSKAXJQBHYPEE-HOCLYGCPSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000419218180 246061205 /nfs/dbraw/zinc/06/12/05/246061205.db2.gz RRAWEHMHJVKJBX-GJZGRUSLSA-N 2 0 362.474 0.452 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223462 246061870 /nfs/dbraw/zinc/06/18/70/246061870.db2.gz DAMBXHVHIMUISW-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000419220647 246062240 /nfs/dbraw/zinc/06/22/40/246062240.db2.gz VEJHMRZHVUXSIB-WMLDXEAASA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419219576 246063138 /nfs/dbraw/zinc/06/31/38/246063138.db2.gz UDHGZWNPTSTANJ-ILXRZTDVSA-N 2 0 362.474 0.375 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419225192 246065341 /nfs/dbraw/zinc/06/53/41/246065341.db2.gz GRWNGDICVXLCKE-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419224071 246065398 /nfs/dbraw/zinc/06/53/98/246065398.db2.gz FCMSWKJFXIIDPA-DJIMGWMZSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@H](C)O1 ZINC000419202965 246051796 /nfs/dbraw/zinc/05/17/96/246051796.db2.gz HEKXSWDRKBZQDF-GASCZTMLSA-N 2 0 362.474 0.329 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419207357 246054771 /nfs/dbraw/zinc/05/47/71/246054771.db2.gz MKIOYEJGNIEQEN-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419230422 246068302 /nfs/dbraw/zinc/06/83/02/246068302.db2.gz PWMVUUBGOGHFEN-OLMNPRSZSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234951 246072333 /nfs/dbraw/zinc/07/23/33/246072333.db2.gz YEXFZEFTHKXXMI-LZLYRXPVSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419253396 246076011 /nfs/dbraw/zinc/07/60/11/246076011.db2.gz UHBXSOMYGFTLMS-CIRFHOKZSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340330 246102504 /nfs/dbraw/zinc/10/25/04/246102504.db2.gz WMIZQHQLWDZTDH-DUOKCRBOSA-N 2 0 374.460 0.678 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419361044 246117829 /nfs/dbraw/zinc/11/78/29/246117829.db2.gz AREBVBHDTJFKMB-HXUWFJFHSA-N 2 0 372.513 0.708 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419363002 246117919 /nfs/dbraw/zinc/11/79/19/246117919.db2.gz CQGQKVUUGAHLJL-UHFFFAOYSA-N 2 0 360.502 0.836 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419362159 246118323 /nfs/dbraw/zinc/11/83/23/246118323.db2.gz BGCCWAZHHQDVEJ-RHSMWYFYSA-N 2 0 358.486 0.398 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000419364856 246118842 /nfs/dbraw/zinc/11/88/42/246118842.db2.gz FCDUKQGARYXTMX-INIZCTEOSA-N 2 0 372.513 0.789 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419372109 246121957 /nfs/dbraw/zinc/12/19/57/246121957.db2.gz KHGLQXWZFPKEMZ-MAUKXSAKSA-N 2 0 372.513 0.788 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419372108 246123471 /nfs/dbraw/zinc/12/34/71/246123471.db2.gz KHGLQXWZFPKEMZ-CRAIPNDOSA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000419378693 246125629 /nfs/dbraw/zinc/12/56/29/246125629.db2.gz VMCIQOWZMLAGOF-UHFFFAOYSA-N 2 0 358.486 0.588 20 0 FCADRP O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419389949 246129542 /nfs/dbraw/zinc/12/95/42/246129542.db2.gz FTJYQYPGHWEDAD-JKSUJKDBSA-N 2 0 362.499 0.198 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419415894 246149818 /nfs/dbraw/zinc/14/98/18/246149818.db2.gz IIZIJCHBVCQRBN-QGZVFWFLSA-N 2 0 373.501 0.135 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399159 246134901 /nfs/dbraw/zinc/13/49/01/246134901.db2.gz JBWGKGFUWGEBDN-LZLYRXPVSA-N 2 0 360.502 0.985 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402362 246136225 /nfs/dbraw/zinc/13/62/25/246136225.db2.gz CHTYJBZIGGTYLC-ZBFHGGJFSA-N 2 0 368.522 0.986 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000419402310 246138299 /nfs/dbraw/zinc/13/82/99/246138299.db2.gz CFSTZJIKNUDJGF-CZUORRHYSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000419405047 246139318 /nfs/dbraw/zinc/13/93/18/246139318.db2.gz HCCCSYGDBUKXNW-HZPDHXFCSA-N 2 0 366.437 0.039 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(F)cc1 ZINC000419405949 246139446 /nfs/dbraw/zinc/13/94/46/246139446.db2.gz IFLSHZRHSOKBNC-QGZVFWFLSA-N 2 0 362.449 0.971 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404538 246140237 /nfs/dbraw/zinc/14/02/37/246140237.db2.gz TXRJKYYWXLIKRN-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000419410134 246144339 /nfs/dbraw/zinc/14/43/39/246144339.db2.gz OGDKZDHIUOFZEI-IKGGRYGDSA-N 2 0 362.449 0.898 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419411787 246145299 /nfs/dbraw/zinc/14/52/99/246145299.db2.gz BXYZHSBGNSENAD-UHFFFAOYSA-N 2 0 361.490 0.041 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419411930 246145501 /nfs/dbraw/zinc/14/55/01/246145501.db2.gz CDMUDLCLSWDKLB-RTBURBONSA-N 2 0 370.497 0.619 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419422813 246155430 /nfs/dbraw/zinc/15/54/30/246155430.db2.gz MQWZNLMEIAHCAB-HDICACEKSA-N 2 0 356.470 0.229 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419427679 246159568 /nfs/dbraw/zinc/15/95/68/246159568.db2.gz SHJYZRFAJKBWMV-QZTJIDSGSA-N 2 0 374.485 0.434 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419506476 246186217 /nfs/dbraw/zinc/18/62/17/246186217.db2.gz MJQDFRQAXRMYRE-NUJGCVRESA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419477004 246175851 /nfs/dbraw/zinc/17/58/51/246175851.db2.gz HDHBKQGANRGUPH-ZACQAIPSSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419475107 246175870 /nfs/dbraw/zinc/17/58/70/246175870.db2.gz DEOHBHYZKMVLFK-IXDOHACOSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419475486 246176367 /nfs/dbraw/zinc/17/63/67/246176367.db2.gz DVFJTKCHJRRSRK-IKGGRYGDSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419474838 246176433 /nfs/dbraw/zinc/17/64/33/246176433.db2.gz CQCBFYVTEUTMOY-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419475123 246176975 /nfs/dbraw/zinc/17/69/75/246176975.db2.gz DIMKSXYOXZJGPU-HZPDHXFCSA-N 2 0 350.507 0.897 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419474089 246177304 /nfs/dbraw/zinc/17/73/04/246177304.db2.gz BMJHUEIPBZFDDT-LPHOPBHVSA-N 2 0 350.507 0.827 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000419480962 246178055 /nfs/dbraw/zinc/17/80/55/246178055.db2.gz OJMLIGPOEISUNB-DLBZAZTESA-N 2 0 350.507 0.683 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000419480964 246179160 /nfs/dbraw/zinc/17/91/60/246179160.db2.gz OJMLIGPOEISUNB-IRXDYDNUSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419484726 246179183 /nfs/dbraw/zinc/17/91/83/246179183.db2.gz UKTOMFCCBIGLBH-IXDOHACOSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419532197 246194311 /nfs/dbraw/zinc/19/43/11/246194311.db2.gz MSYPUBSFHMDDGV-BPQIPLTHSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537304 246196002 /nfs/dbraw/zinc/19/60/02/246196002.db2.gz VRMGNXFSGFYZNA-QAPCUYQASA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419539281 246198272 /nfs/dbraw/zinc/19/82/72/246198272.db2.gz YJBJFKFMNVCITI-JOCBIADPSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419659014 246232718 /nfs/dbraw/zinc/23/27/18/246232718.db2.gz ZNPXLJBAFBPMNH-OIISXLGYSA-N 2 0 358.486 0.910 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H](C[NH3+])C1 ZINC000419659794 246234207 /nfs/dbraw/zinc/23/42/07/246234207.db2.gz AWQTUOJEAIGLNB-JKSUJKDBSA-N 2 0 356.511 0.576 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000419636158 246225846 /nfs/dbraw/zinc/22/58/46/246225846.db2.gz GWKMFRYDERVVGX-RBUKOAKNSA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccccc1 ZINC000419652921 246231224 /nfs/dbraw/zinc/23/12/24/246231224.db2.gz QHNGMWJUHWSMMZ-CQSZACIVSA-N 2 0 350.463 0.012 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C(C)C ZINC000419664394 246236961 /nfs/dbraw/zinc/23/69/61/246236961.db2.gz MESOFXHALIWVCU-CABCVRRESA-N 2 0 356.511 0.841 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)C(C)C ZINC000419664395 246237800 /nfs/dbraw/zinc/23/78/00/246237800.db2.gz MESOFXHALIWVCU-GJZGRUSLSA-N 2 0 356.511 0.841 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419669020 246240027 /nfs/dbraw/zinc/24/00/27/246240027.db2.gz YYNAZMZLOSJBCN-CQSZACIVSA-N 2 0 350.463 0.439 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000419688981 246251969 /nfs/dbraw/zinc/25/19/69/246251969.db2.gz SHPLFTQHJAGONY-CVEARBPZSA-N 2 0 366.506 0.191 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691075 246252512 /nfs/dbraw/zinc/25/25/12/246252512.db2.gz LWJHNSPRZYEYME-HNNXBMFYSA-N 2 0 370.563 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000419723098 246270257 /nfs/dbraw/zinc/27/02/57/246270257.db2.gz NMFVDQQYJJPXSG-HZPDHXFCSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702413 246259443 /nfs/dbraw/zinc/25/94/43/246259443.db2.gz BTOIKIMNMIOTEJ-BVBHFADKSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702417 246259829 /nfs/dbraw/zinc/25/98/29/246259829.db2.gz BTOIKIMNMIOTEJ-YSHGAJCASA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419709886 246264109 /nfs/dbraw/zinc/26/41/09/246264109.db2.gz PFTGGLLLNHBZDH-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419748754 246281683 /nfs/dbraw/zinc/28/16/83/246281683.db2.gz OZVGCPKLRBWKCU-OAHLLOKOSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758235 246287748 /nfs/dbraw/zinc/28/77/48/246287748.db2.gz JQGJVKKZLYKODJ-DZGCQCFKSA-N 2 0 350.438 0.569 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000419761944 246289691 /nfs/dbraw/zinc/28/96/91/246289691.db2.gz QQASTCQKIWQKFP-LJQANCHMSA-N 2 0 362.449 0.586 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C[NH3+])C1 ZINC000419822156 246305295 /nfs/dbraw/zinc/30/52/95/246305295.db2.gz OXNFUZREYQAFDQ-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCCCC1 ZINC000419721440 246271091 /nfs/dbraw/zinc/27/10/91/246271091.db2.gz ZWLGITBEAZIADH-YYIAUSFCSA-N 2 0 350.507 0.953 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419746301 246280203 /nfs/dbraw/zinc/28/02/03/246280203.db2.gz BQDHNAQXXPPUFD-UHFFFAOYSA-N 2 0 356.511 0.626 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837757 246311453 /nfs/dbraw/zinc/31/14/53/246311453.db2.gz DOLWXYHWMHOBPS-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419837837 246314595 /nfs/dbraw/zinc/31/45/95/246314595.db2.gz MZLMHGAOMAEZSC-UHFFFAOYSA-N 2 0 360.380 0.671 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419845082 246319039 /nfs/dbraw/zinc/31/90/39/246319039.db2.gz DIQQEGANYCHRGZ-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000419846702 246319120 /nfs/dbraw/zinc/31/91/20/246319120.db2.gz AHIIYTAOTHBAEN-LPHOPBHVSA-N 2 0 367.538 0.025 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1Cc1ccccc1 ZINC000419853752 246323440 /nfs/dbraw/zinc/32/34/40/246323440.db2.gz AYPMUPQLCNREJC-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419860885 246331250 /nfs/dbraw/zinc/33/12/50/246331250.db2.gz LISXAXMCVADGLB-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419869323 246337197 /nfs/dbraw/zinc/33/71/97/246337197.db2.gz NDPPCFUPGMGUHR-QGZVFWFLSA-N 2 0 367.538 0.026 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000419915704 246365085 /nfs/dbraw/zinc/36/50/85/246365085.db2.gz YPKXCOIEESNPAA-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419914191 246365724 /nfs/dbraw/zinc/36/57/24/246365724.db2.gz NSACCQXUJANFQG-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000419914011 246366279 /nfs/dbraw/zinc/36/62/79/246366279.db2.gz NNWVZBCYBWQARO-HNNXBMFYSA-N 2 0 350.463 0.594 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419930555 246376487 /nfs/dbraw/zinc/37/64/87/246376487.db2.gz YNAWNQJOGCUJNQ-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000419877262 246343224 /nfs/dbraw/zinc/34/32/24/246343224.db2.gz PMXNVJVSHDMNMO-LPOKXYRGSA-N 2 0 370.497 0.963 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419890573 246354349 /nfs/dbraw/zinc/35/43/49/246354349.db2.gz TVPQXKDGEKIDNS-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419891955 246354650 /nfs/dbraw/zinc/35/46/50/246354650.db2.gz UNOOPMRSOZYMBW-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419892193 246354794 /nfs/dbraw/zinc/35/47/94/246354794.db2.gz JBUIIEKXNGMXKI-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419947319 246382819 /nfs/dbraw/zinc/38/28/19/246382819.db2.gz CHODEGNPHGXNKN-INIZCTEOSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419956742 246387879 /nfs/dbraw/zinc/38/78/79/246387879.db2.gz SVGKLEZIWZSOLB-ZDUSSCGKSA-N 2 0 370.444 0.827 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420019058 246419270 /nfs/dbraw/zinc/41/92/70/246419270.db2.gz QONOFUXBPWULCQ-WBVHZDCISA-N 2 0 368.522 0.579 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)CC1 ZINC000420114762 246475615 /nfs/dbraw/zinc/47/56/15/246475615.db2.gz JPYRGHXIYJAOST-MYBQVCMBSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420170320 246509731 /nfs/dbraw/zinc/50/97/31/246509731.db2.gz XLGUUNZIZQKMKS-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000420199012 246524253 /nfs/dbraw/zinc/52/42/53/246524253.db2.gz WLXNKUFBHVZWHK-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420206291 246529403 /nfs/dbraw/zinc/52/94/03/246529403.db2.gz PYPCUDZKCMVGHO-KGLIPLIRSA-N 2 0 352.504 0.882 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422868437 246927955 /nfs/dbraw/zinc/92/79/55/246927955.db2.gz UXHIFCCBRBNODG-QGZVFWFLSA-N 3 0 354.539 0.925 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423240409 246984731 /nfs/dbraw/zinc/98/47/31/246984731.db2.gz TWYKRZGZSVUGAE-IXDOHACOSA-N 2 0 362.449 0.631 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308508 247000815 /nfs/dbraw/zinc/00/08/15/247000815.db2.gz ONLKSVDXRJWIRL-WMZOPIPTSA-N 2 0 358.486 0.787 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000423317943 247003027 /nfs/dbraw/zinc/00/30/27/247003027.db2.gz BHBMCSFISYOPQF-VBQJREDUSA-N 2 0 363.458 0.802 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000423558228 247052225 /nfs/dbraw/zinc/05/22/25/247052225.db2.gz LBKBYNUPTYSCRV-JQHSSLGASA-N 2 0 358.486 0.597 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573300 247058567 /nfs/dbraw/zinc/05/85/67/247058567.db2.gz WBRGPNDVJSABML-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423583831 247063878 /nfs/dbraw/zinc/06/38/78/247063878.db2.gz BBLZKDNCNIFZCJ-CVEARBPZSA-N 2 0 364.515 0.706 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423590875 247064942 /nfs/dbraw/zinc/06/49/42/247064942.db2.gz JMCIXHNARFLISM-FGTMMUONSA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000423432307 247025891 /nfs/dbraw/zinc/02/58/91/247025891.db2.gz BALCNWUYDJBIRT-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)C1 ZINC000423434661 247025934 /nfs/dbraw/zinc/02/59/34/247025934.db2.gz DFGJZTHBTBMDER-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423442319 247027519 /nfs/dbraw/zinc/02/75/19/247027519.db2.gz BPOIQXNVWKJLFH-HOTGVXAUSA-N 2 0 373.501 0.965 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000423451017 247029637 /nfs/dbraw/zinc/02/96/37/247029637.db2.gz UIHRKOWBRZQPLB-DOTOQJQBSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470794 247032978 /nfs/dbraw/zinc/03/29/78/247032978.db2.gz GUGOIXNGDZLXAO-DSLXNQLJSA-N 2 0 370.497 0.773 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423482527 247035426 /nfs/dbraw/zinc/03/54/26/247035426.db2.gz RPJRXBDKQHJCEY-RHSMWYFYSA-N 2 0 362.474 0.391 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423498581 247038501 /nfs/dbraw/zinc/03/85/01/247038501.db2.gz IFZMTRFTIBXEKH-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423608722 247075707 /nfs/dbraw/zinc/07/57/07/247075707.db2.gz OKBMTLHJCCIPMB-NEWSRXKRSA-N 2 0 370.497 0.787 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423619712 247078318 /nfs/dbraw/zinc/07/83/18/247078318.db2.gz IQMWLBFTJLJVCT-OAHLLOKOSA-N 2 0 350.463 0.900 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624807 247081187 /nfs/dbraw/zinc/08/11/87/247081187.db2.gz DQHMBSKYCNYVHZ-RXVVDRJESA-N 2 0 370.497 0.918 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624806 247081317 /nfs/dbraw/zinc/08/13/17/247081317.db2.gz DQHMBSKYCNYVHZ-NQIIRXRSSA-N 2 0 370.497 0.918 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000423647458 247089839 /nfs/dbraw/zinc/08/98/39/247089839.db2.gz HYUDHVBEPZENME-HRCADAONSA-N 2 0 354.495 0.141 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423649083 247092509 /nfs/dbraw/zinc/09/25/09/247092509.db2.gz OUZRFHGIGREFQR-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423651903 247092635 /nfs/dbraw/zinc/09/26/35/247092635.db2.gz WLTSFNCQKZMTEF-CEXWTWQISA-N 2 0 370.497 0.917 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000423668742 247103463 /nfs/dbraw/zinc/10/34/63/247103463.db2.gz WTLYVASERNZSOI-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423674890 247104648 /nfs/dbraw/zinc/10/46/48/247104648.db2.gz AZYCYWDWQYFQLA-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725773 247128002 /nfs/dbraw/zinc/12/80/02/247128002.db2.gz SVKCDDYXORBNJX-BPQIPLTHSA-N 2 0 358.486 0.773 20 0 FCADRP CN1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000424024728 247160193 /nfs/dbraw/zinc/16/01/93/247160193.db2.gz XSPBSHXKKSQADE-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@@H]1C[NH3+] ZINC000423741232 247135505 /nfs/dbraw/zinc/13/55/05/247135505.db2.gz SPQXJEKLNXTKEC-IXDOHACOSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423748769 247136598 /nfs/dbraw/zinc/13/65/98/247136598.db2.gz ZRMCWTCZUFXTAX-WBVHZDCISA-N 2 0 367.538 0.057 20 0 FCADRP COCCN1C(=O)C[C@H](C[NH2+][C@H](C)CCC[NH3+])[C@H]1c1cnn(C)c1C ZINC000424377197 247201383 /nfs/dbraw/zinc/20/13/83/247201383.db2.gz QNGVCAKADSJOOF-SIIHOXLZSA-N 2 0 351.495 0.982 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC(O)(C[NH3+])CC3)CC2)c1 ZINC000424055155 247165032 /nfs/dbraw/zinc/16/50/32/247165032.db2.gz IHWWQDMIRHIFJH-UHFFFAOYSA-N 2 0 360.502 0.819 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000424486958 247236037 /nfs/dbraw/zinc/23/60/37/247236037.db2.gz AIWDUZWCDGMJNW-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424494566 247239701 /nfs/dbraw/zinc/23/97/01/247239701.db2.gz NSLYZNOQRVYWSM-GBESFXJTSA-N 2 0 370.497 0.930 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424493862 247240131 /nfs/dbraw/zinc/24/01/31/247240131.db2.gz LNVAUCNXKCAWLP-RCCFBDPRSA-N 2 0 356.470 0.669 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424497478 247240530 /nfs/dbraw/zinc/24/05/30/247240530.db2.gz XGXVFXFYPHVIOL-OAHLLOKOSA-N 2 0 350.507 0.777 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000425478019 247343837 /nfs/dbraw/zinc/34/38/37/247343837.db2.gz OPZNJILDSJLPHK-KRWDZBQOSA-N 2 0 369.554 0.622 20 0 FCADRP CC[NH+]1CCC(Nc2nc(NC3CC[NH+](CC)CC3)nc(OC)n2)CC1 ZINC000426561148 247468388 /nfs/dbraw/zinc/46/83/88/247468388.db2.gz UIAOMIJYJXFWTJ-UHFFFAOYSA-N 2 0 363.510 0.516 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)O1 ZINC000426821523 247480113 /nfs/dbraw/zinc/48/01/13/247480113.db2.gz UBXDUVYUDGWDCU-SYMSYNOKSA-N 2 0 356.511 0.447 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000431005883 247743551 /nfs/dbraw/zinc/74/35/51/247743551.db2.gz PJJKGIQYIWKINZ-HNNXBMFYSA-N 2 0 352.483 0.598 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430710932 247725737 /nfs/dbraw/zinc/72/57/37/247725737.db2.gz VBEOYPNWPAYSEL-KRWDZBQOSA-N 2 0 360.458 0.829 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NCCN2CCOCC2(C)C)CC1(C)C ZINC000440984685 248229340 /nfs/dbraw/zinc/22/93/40/248229340.db2.gz NTIADTKCZWSDCN-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000443066942 248305598 /nfs/dbraw/zinc/30/55/98/248305598.db2.gz GBBYCGVGRDSTAQ-AWEZNQCLSA-N 2 0 368.503 0.950 20 0 FCADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCN(C)CC1 ZINC000446376746 248387402 /nfs/dbraw/zinc/38/74/02/248387402.db2.gz LPQFTAKOLZLPOR-OAFZBRQQSA-N 2 0 352.523 0.519 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000459916371 249786005 /nfs/dbraw/zinc/78/60/05/249786005.db2.gz OXUISIJQJARHDL-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000472270670 250143486 /nfs/dbraw/zinc/14/34/86/250143486.db2.gz ARUZVFHWTIDWFG-QGZVFWFLSA-N 2 0 369.506 0.831 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000472183939 250138341 /nfs/dbraw/zinc/13/83/41/250138341.db2.gz WNVGBLAMAGCXMD-SFHVURJKSA-N 2 0 354.539 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084905 250270556 /nfs/dbraw/zinc/27/05/56/250270556.db2.gz ZWVUTQUVYYWQGN-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932480 250257084 /nfs/dbraw/zinc/25/70/84/250257084.db2.gz MHLWINCUBQMRAL-GJZGRUSLSA-N 2 0 351.499 0.934 20 0 FCADRP CN1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000474006595 250262956 /nfs/dbraw/zinc/26/29/56/250262956.db2.gz GHUIBZRQQSUGFR-OAHLLOKOSA-N 2 0 360.462 0.124 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979132 250305157 /nfs/dbraw/zinc/30/51/57/250305157.db2.gz LGLZCVBBUOCJFE-TWMKSMIVSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000481132414 250316735 /nfs/dbraw/zinc/31/67/35/250316735.db2.gz FBKCUPFKJVQYGW-QXSJWSMHSA-N 2 0 350.507 0.964 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000481769104 250356272 /nfs/dbraw/zinc/35/62/72/250356272.db2.gz JMOCNYNFEQQRFT-OAGGEKHMSA-N 2 0 354.495 0.060 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481772692 250357655 /nfs/dbraw/zinc/35/76/55/250357655.db2.gz BNMSLEXOYDAWBR-WBVHZDCISA-N 2 0 358.552 0.816 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCSC1 ZINC000481797631 250362417 /nfs/dbraw/zinc/36/24/17/250362417.db2.gz SLACQMGCHXAZHH-BBRMVZONSA-N 2 0 357.524 0.063 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481858552 250367708 /nfs/dbraw/zinc/36/77/08/250367708.db2.gz VQWDNIDUNQYJMX-HZPDHXFCSA-N 2 0 356.511 0.260 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413463042 532990308 /nfs/dbraw/zinc/99/03/08/532990308.db2.gz XZCQJXXFZQXPJJ-HZPDHXFCSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+](C)C1 ZINC000413253049 532995060 /nfs/dbraw/zinc/99/50/60/532995060.db2.gz TZHMVQBRSGEYOG-HZPDHXFCSA-N 2 0 354.495 0.853 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000073639720 208050011 /nfs/dbraw/zinc/05/00/11/208050011.db2.gz QSDDZZGIUAVHJF-UHFFFAOYSA-N 2 0 373.545 0.801 20 0 FCADRP C[N@H+](CCN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1)Cc1ccccc1 ZINC000066534125 208017123 /nfs/dbraw/zinc/01/71/23/208017123.db2.gz MAGDYCXHOPHMNL-HXUWFJFHSA-N 2 0 357.502 0.994 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000107327290 208239133 /nfs/dbraw/zinc/23/91/33/208239133.db2.gz WIZJUUYRBOWXJI-UHFFFAOYSA-N 2 0 365.522 0.810 20 0 FCADRP Cc1n[nH]cc1CNCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000116922221 208338049 /nfs/dbraw/zinc/33/80/49/208338049.db2.gz BHXBWMXJXRVRRS-UHFFFAOYSA-N 2 0 363.487 0.944 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000266581786 210362344 /nfs/dbraw/zinc/36/23/44/210362344.db2.gz BHBJNWAYAQOZMX-UHFFFAOYSA-N 2 0 360.418 0.290 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+](C)C1 ZINC000413049984 533477093 /nfs/dbraw/zinc/47/70/93/533477093.db2.gz UHQYYBREXZJOFR-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412320030 533493323 /nfs/dbraw/zinc/49/33/23/533493323.db2.gz VEDMSMKRADMUDZ-ULQDDVLXSA-N 2 0 368.522 0.497 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000173947348 229212595 /nfs/dbraw/zinc/21/25/95/229212595.db2.gz OYEHUCYIOYISRY-UHFFFAOYSA-N 2 0 351.499 0.592 20 0 FCADRP C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000187334111 229239287 /nfs/dbraw/zinc/23/92/87/229239287.db2.gz SZJOLPOWCSPPKN-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410779693 230246578 /nfs/dbraw/zinc/24/65/78/230246578.db2.gz MAMAKDWJFMJFOU-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000562798910 491189430 /nfs/dbraw/zinc/18/94/30/491189430.db2.gz YZQKVNALYYYHAS-INIZCTEOSA-N 2 0 365.522 0.714 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000327704580 488920859 /nfs/dbraw/zinc/92/08/59/488920859.db2.gz YHCNXCZYJYUWPT-HNNXBMFYSA-N 2 0 368.503 0.224 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1(C)C ZINC000328242446 488922139 /nfs/dbraw/zinc/92/21/39/488922139.db2.gz AHXIKPSOIWKCOF-MDZRGWNJSA-N 2 0 354.539 0.907 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364163012 488929773 /nfs/dbraw/zinc/92/97/73/488929773.db2.gz OITPGDCVDVWOLI-DLBZAZTESA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000364177174 488930774 /nfs/dbraw/zinc/93/07/74/488930774.db2.gz YPPVWIBPCGWUIV-BRWVUGGUSA-N 2 0 365.522 0.317 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000562821334 491192380 /nfs/dbraw/zinc/19/23/80/491192380.db2.gz OCMZHGJSHCWWHF-MSOLQXFVSA-N 2 0 373.501 0.041 20 0 FCADRP C[NH+](CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CC2)n1)C1CC1 ZINC000066924225 488340892 /nfs/dbraw/zinc/34/08/92/488340892.db2.gz PNETUYCDDPKYSE-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069936759 488374792 /nfs/dbraw/zinc/37/47/92/488374792.db2.gz OHKWOXXTIUBXAB-KSZLIROESA-N 2 0 366.506 0.603 20 0 FCADRP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586401 488385087 /nfs/dbraw/zinc/38/50/87/488385087.db2.gz QQDBCEDPBHRCCC-SQNIBIBYSA-N 2 0 369.554 0.668 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074064673 488387402 /nfs/dbraw/zinc/38/74/02/488387402.db2.gz YISWBDKONXGSIQ-KRWDZBQOSA-N 2 0 369.554 0.670 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000074345242 488391175 /nfs/dbraw/zinc/39/11/75/488391175.db2.gz VGBLAMSQXZDBNL-IRXDYDNUSA-N 2 0 365.522 0.844 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccn1 ZINC000183240224 488391817 /nfs/dbraw/zinc/39/18/17/488391817.db2.gz KLRCEGAQFOGPON-UHFFFAOYSA-N 2 0 350.463 0.456 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000074657065 488393189 /nfs/dbraw/zinc/39/31/89/488393189.db2.gz DCSAWJWIMCASFU-ROUUACIJSA-N 2 0 369.554 0.622 20 0 FCADRP CC(C)CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000074676818 488393523 /nfs/dbraw/zinc/39/35/23/488393523.db2.gz RSWUNDLTWXAPRF-INIZCTEOSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000075007548 488394758 /nfs/dbraw/zinc/39/47/58/488394758.db2.gz FKHFBVAFRCIXHW-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824714 491195790 /nfs/dbraw/zinc/19/57/90/491195790.db2.gz DSVWRCKKIJYPSY-DLBZAZTESA-N 2 0 369.473 0.754 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076308869 488403286 /nfs/dbraw/zinc/40/32/86/488403286.db2.gz DSYYCOGPKGADSJ-SFHVURJKSA-N 2 0 354.539 0.923 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000186620336 488407081 /nfs/dbraw/zinc/40/70/81/488407081.db2.gz BVEJQRTWZJILRD-HNNXBMFYSA-N 2 0 357.524 0.776 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000076971736 488408094 /nfs/dbraw/zinc/40/80/94/488408094.db2.gz FWQWTIGAPAEFFH-HOTGVXAUSA-N 2 0 365.522 0.890 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000078030967 488419675 /nfs/dbraw/zinc/41/96/75/488419675.db2.gz UHQAOPFWNSYENM-MSOLQXFVSA-N 2 0 373.501 0.573 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000192595436 488423004 /nfs/dbraw/zinc/42/30/04/488423004.db2.gz LMAPGDDGSKPCPH-LBPRGKRZSA-N 2 0 357.524 0.823 20 0 FCADRP COCCN1CCN(C(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000193131459 488426118 /nfs/dbraw/zinc/42/61/18/488426118.db2.gz HEYFJYWKJHREAB-KRWDZBQOSA-N 2 0 356.511 0.707 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058901 488426708 /nfs/dbraw/zinc/42/67/08/488426708.db2.gz XNAOTWQRVRLRCP-WBVHZDCISA-N 2 0 365.522 0.807 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000195139861 488435488 /nfs/dbraw/zinc/43/54/88/488435488.db2.gz UQAOGNFUFTUEKC-HZPDHXFCSA-N 2 0 356.511 0.896 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565257 488435973 /nfs/dbraw/zinc/43/59/73/488435973.db2.gz BQUOAMCRIQEFRU-OAHLLOKOSA-N 2 0 363.510 0.782 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081293009 488440183 /nfs/dbraw/zinc/44/01/83/488440183.db2.gz AATXDAULLJOKQF-KRWDZBQOSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCNS(C)(=O)=O)CC1 ZINC000088671926 488456055 /nfs/dbraw/zinc/45/60/55/488456055.db2.gz HWIDWDGJJYZGOX-UHFFFAOYSA-N 2 0 354.520 0.857 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246774608 488475631 /nfs/dbraw/zinc/47/56/31/488475631.db2.gz IFEMCRCBYUUCRB-IAGOWNOFSA-N 2 0 356.511 0.632 20 0 FCADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044822 488480367 /nfs/dbraw/zinc/48/03/67/488480367.db2.gz OLSGNXIGYHTLFN-IRXDYDNUSA-N 2 0 360.506 0.835 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C[N@@H+]1C1CC1 ZINC000247304829 488484505 /nfs/dbraw/zinc/48/45/05/488484505.db2.gz UZWIKQNTDGLANQ-HLLBOEOZSA-N 2 0 363.506 0.560 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000269307759 488489790 /nfs/dbraw/zinc/48/97/90/488489790.db2.gz UVYZJCDBMRQGJI-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000103210954 488500016 /nfs/dbraw/zinc/50/00/16/488500016.db2.gz HOMDATONCYSNSM-UHFFFAOYSA-N 2 0 355.504 0.797 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1cnc2ccccc2c1=O ZINC000103212097 488500129 /nfs/dbraw/zinc/50/01/29/488500129.db2.gz HHIIEHFHTPHLDO-UHFFFAOYSA-N 2 0 359.474 0.738 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000103212316 488500189 /nfs/dbraw/zinc/50/01/89/488500189.db2.gz LHXWUZGIVMBRNQ-UHFFFAOYSA-N 2 0 367.519 0.764 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103305352 488500526 /nfs/dbraw/zinc/50/05/26/488500526.db2.gz QBELHFUBLAUCDK-KRWDZBQOSA-N 2 0 365.522 0.668 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000103308140 488500750 /nfs/dbraw/zinc/50/07/50/488500750.db2.gz SVJBXZMXEIJMNM-KRWDZBQOSA-N 2 0 365.522 0.668 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000249011140 488505117 /nfs/dbraw/zinc/50/51/17/488505117.db2.gz OQMSSFPZZNVNOG-GOSISDBHSA-N 2 0 364.490 0.367 20 0 FCADRP NC(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000269462122 488505623 /nfs/dbraw/zinc/50/56/23/488505623.db2.gz GLEMIDCHUWKOHP-UHFFFAOYSA-N 2 0 357.414 0.716 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249116224 488506621 /nfs/dbraw/zinc/50/66/21/488506621.db2.gz OBUQEHPDWFAYNV-SJORKVTESA-N 2 0 370.538 0.830 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000249118518 488506655 /nfs/dbraw/zinc/50/66/55/488506655.db2.gz OSYLIRRXZMFLOJ-IRXDYDNUSA-N 2 0 369.554 0.357 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000106383094 488513688 /nfs/dbraw/zinc/51/36/88/488513688.db2.gz PXXZBJZGNQXMBB-ZIFCJYIRSA-N 2 0 355.523 0.501 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108570901 488520263 /nfs/dbraw/zinc/52/02/63/488520263.db2.gz OLCTZJJBZCHXQR-SJORKVTESA-N 2 0 365.522 0.713 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757808 488534656 /nfs/dbraw/zinc/53/46/56/488534656.db2.gz JLLXFRLCABSKDO-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000261768794 488535247 /nfs/dbraw/zinc/53/52/47/488535247.db2.gz WRGPAUJRPHHQQV-CQSZACIVSA-N 2 0 351.447 0.999 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](c2ccccc2)C1 ZINC000261784942 488535656 /nfs/dbraw/zinc/53/56/56/488535656.db2.gz NFSUQJLGMRVTNT-QRVBRYPASA-N 2 0 360.502 0.988 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](c2ccccc2)C1 ZINC000261784948 488536180 /nfs/dbraw/zinc/53/61/80/488536180.db2.gz NFSUQJLGMRVTNT-QYZOEREBSA-N 2 0 360.502 0.988 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000113514940 488538286 /nfs/dbraw/zinc/53/82/86/488538286.db2.gz YFNXQWAYJSXVNT-AWEZNQCLSA-N 2 0 350.438 0.918 20 0 FCADRP O=S1(=O)CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000271723528 488542053 /nfs/dbraw/zinc/54/20/53/488542053.db2.gz QOERRLALZQXQJF-INIZCTEOSA-N 2 0 352.504 0.761 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003326 488545301 /nfs/dbraw/zinc/54/53/01/488545301.db2.gz DSAMZIKSTCULCX-ROUUACIJSA-N 3 0 351.539 0.299 20 0 FCADRP O=C(CC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262089766 488549482 /nfs/dbraw/zinc/54/94/82/488549482.db2.gz LHAWLNIGFQKODD-UHFFFAOYSA-N 2 0 372.513 0.975 20 0 FCADRP O=C(CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)N1CC[NH2+]CC1 ZINC000262095051 488549885 /nfs/dbraw/zinc/54/98/85/488549885.db2.gz LRLUPGVJFORCFP-IBGZPJMESA-N 2 0 370.497 0.858 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000118094404 488553217 /nfs/dbraw/zinc/55/32/17/488553217.db2.gz CSMZVBDCFNHZNV-UHFFFAOYSA-N 2 0 356.854 0.897 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000119633909 488558342 /nfs/dbraw/zinc/55/83/42/488558342.db2.gz IFEMCRCBYUUCRB-IRXDYDNUSA-N 2 0 356.511 0.632 20 0 FCADRP Cc1nnnn1-c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000119847323 488559339 /nfs/dbraw/zinc/55/93/39/488559339.db2.gz QFFCJHSJPQDWDG-UHFFFAOYSA-N 2 0 360.466 0.928 20 0 FCADRP O=C(CC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262280517 488561487 /nfs/dbraw/zinc/56/14/87/488561487.db2.gz ZEOCSFIAXCRCSC-UHFFFAOYSA-N 2 0 362.449 0.796 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)n1 ZINC000120845414 488563331 /nfs/dbraw/zinc/56/33/31/488563331.db2.gz AWCZKRDPKHJBSV-UHFFFAOYSA-N 2 0 352.483 0.399 20 0 FCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CC1 ZINC000272202103 488567654 /nfs/dbraw/zinc/56/76/54/488567654.db2.gz OSWPAWAQLBFALF-UHFFFAOYSA-N 2 0 374.489 0.419 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000121477519 488568355 /nfs/dbraw/zinc/56/83/55/488568355.db2.gz BJAPDTFLRUMRKV-MSOLQXFVSA-N 2 0 369.554 0.404 20 0 FCADRP C[NH2+][C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1cnn(C)c1 ZINC000262469251 488572029 /nfs/dbraw/zinc/57/20/29/488572029.db2.gz YEYAMRYBGCQACH-BQFCYCMXSA-N 2 0 362.522 0.698 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000262650703 488584528 /nfs/dbraw/zinc/58/45/28/488584528.db2.gz QVEXAQALJQBWKF-QZTJIDSGSA-N 2 0 358.486 1.000 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)nn1C ZINC000124647066 488594453 /nfs/dbraw/zinc/59/44/53/488594453.db2.gz CJZYKABGRNNYOO-HNNXBMFYSA-N 2 0 364.494 0.542 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)nn1C ZINC000124646825 488594672 /nfs/dbraw/zinc/59/46/72/488594672.db2.gz CJZYKABGRNNYOO-OAHLLOKOSA-N 2 0 364.494 0.542 20 0 FCADRP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000124648515 488594703 /nfs/dbraw/zinc/59/47/03/488594703.db2.gz RZJPDXMRCSJVAE-MRXNPFEDSA-N 2 0 364.494 0.716 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272706110 488599094 /nfs/dbraw/zinc/59/90/94/488599094.db2.gz UHXAEZJHGQRDGT-UHFFFAOYSA-N 2 0 364.490 0.987 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127494661 488617390 /nfs/dbraw/zinc/61/73/90/488617390.db2.gz BEFAHYWCKPNAHF-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@@H+]1C1CC1 ZINC000129079422 488628871 /nfs/dbraw/zinc/62/88/71/488628871.db2.gz SZEFVBBCHUDLOY-IAGOWNOFSA-N 2 0 367.538 0.301 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000563074937 491213400 /nfs/dbraw/zinc/21/34/00/491213400.db2.gz VDRBYDACETUILE-MOPGFXCFSA-N 2 0 372.513 0.926 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000130525921 488637773 /nfs/dbraw/zinc/63/77/73/488637773.db2.gz SALNKCGJOXCTHO-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP CN1Cc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1 ZINC000130540249 488637980 /nfs/dbraw/zinc/63/79/80/488637980.db2.gz IXJQJDKERWUGIP-UHFFFAOYSA-N 2 0 361.490 0.522 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C ZINC000133870455 488662398 /nfs/dbraw/zinc/66/23/98/488662398.db2.gz WKOMABSYKUSMQD-AWEZNQCLSA-N 2 0 352.483 0.476 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC000138494557 488682105 /nfs/dbraw/zinc/68/21/05/488682105.db2.gz VJSKLCYXCWIQEK-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cn1 ZINC000563083433 491214063 /nfs/dbraw/zinc/21/40/63/491214063.db2.gz MWOJGXVAXVBPPG-KRWDZBQOSA-N 2 0 370.457 0.386 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCCC1 ZINC000151736314 488709192 /nfs/dbraw/zinc/70/91/92/488709192.db2.gz VLAPEBVCFMORFW-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@H](C)C1 ZINC000151980128 488711743 /nfs/dbraw/zinc/71/17/43/488711743.db2.gz GZRNLPCHLZCZLG-SJLPKXTDSA-N 2 0 354.539 0.923 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274508875 488714992 /nfs/dbraw/zinc/71/49/92/488714992.db2.gz WEWDETJNJNRXJX-UHFFFAOYSA-N 2 0 350.463 0.160 20 0 FCADRP CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)NC1CC[NH+](CC)CC1)CC2 ZINC000152953572 488725070 /nfs/dbraw/zinc/72/50/70/488725070.db2.gz DEGRQAYAEJVEQS-IRXDYDNUSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)NC1CC[NH+](CC)CC1)CC2 ZINC000152953473 488725091 /nfs/dbraw/zinc/72/50/91/488725091.db2.gz DEGRQAYAEJVEQS-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000274706822 488728755 /nfs/dbraw/zinc/72/87/55/488728755.db2.gz ZMDCPFUEWRFBFJ-UHFFFAOYSA-N 2 0 352.479 0.740 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154048654 488737913 /nfs/dbraw/zinc/73/79/13/488737913.db2.gz FPKRRGJMSDUAHH-AWEZNQCLSA-N 2 0 350.467 0.326 20 0 FCADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155124307 488751833 /nfs/dbraw/zinc/75/18/33/488751833.db2.gz GSAREUQZYLLBLL-HUUCEWRRSA-N 2 0 354.520 0.881 20 0 FCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136862 488762770 /nfs/dbraw/zinc/76/27/70/488762770.db2.gz WKYHCTRHVDKVPZ-ZACQAIPSSA-N 2 0 360.506 0.834 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563151957 491222215 /nfs/dbraw/zinc/22/22/15/491222215.db2.gz BJAHOTHETDJQQO-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP COC(=O)C1CCN(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000563153892 491222920 /nfs/dbraw/zinc/22/29/20/491222920.db2.gz JQEAGOBNISJJQE-WBVHZDCISA-N 2 0 353.463 0.226 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171718904 488826427 /nfs/dbraw/zinc/82/64/27/488826427.db2.gz OPRVHRQJTXFOSQ-QGZVFWFLSA-N 2 0 374.533 0.981 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000171898727 488828347 /nfs/dbraw/zinc/82/83/47/488828347.db2.gz NQWUGTNBXBHTNM-QGZVFWFLSA-N 2 0 356.511 0.347 20 0 FCADRP CC1(C)COCCN1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000172351788 488833441 /nfs/dbraw/zinc/83/34/41/488833441.db2.gz ICPWXHIZAYTIJB-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000175728703 488855195 /nfs/dbraw/zinc/85/51/95/488855195.db2.gz JUJLGUNPERJGDE-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000176867999 488858874 /nfs/dbraw/zinc/85/88/74/488858874.db2.gz NISKTTNEYMIZOR-ZNMIVQPWSA-N 2 0 364.494 0.761 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC1 ZINC000288379728 488975802 /nfs/dbraw/zinc/97/58/02/488975802.db2.gz XOFOQXYBSPAVPN-UHFFFAOYSA-N 2 0 364.465 0.928 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)C[C@@H](C)O1 ZINC000364738490 488995000 /nfs/dbraw/zinc/99/50/00/488995000.db2.gz IQVATWJZHGNHHU-HUUCEWRRSA-N 2 0 364.490 0.405 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000570249588 491227598 /nfs/dbraw/zinc/22/75/98/491227598.db2.gz NENKJPCBMLLURM-UHFFFAOYSA-N 2 0 353.511 0.761 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000329752857 489033276 /nfs/dbraw/zinc/03/32/76/489033276.db2.gz JSNWXUPVFYVMSG-IBGZPJMESA-N 2 0 355.490 0.933 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000289075134 489039853 /nfs/dbraw/zinc/03/98/53/489039853.db2.gz OBWXLJVAHHQMNW-JHNDHUHGSA-N 2 0 359.474 0.892 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000365661135 489097470 /nfs/dbraw/zinc/09/74/70/489097470.db2.gz IZQFSAHNRHOAIN-GOSISDBHSA-N 2 0 354.539 0.972 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000570323527 491233899 /nfs/dbraw/zinc/23/38/99/491233899.db2.gz VJWMQIVDHGPTIL-HNNXBMFYSA-N 2 0 350.507 0.777 20 0 FCADRP COC(=O)[C@@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032007 489137085 /nfs/dbraw/zinc/13/70/85/489137085.db2.gz ZEPYIKPYNUWBKS-ROUUACIJSA-N 2 0 356.463 0.773 20 0 FCADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1 ZINC000563306395 491236365 /nfs/dbraw/zinc/23/63/65/491236365.db2.gz FLAWVMABVWOSOW-SFHVURJKSA-N 2 0 366.506 0.202 20 0 FCADRP Cc1nn(C)c(C)c1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331059569 489170499 /nfs/dbraw/zinc/17/04/99/489170499.db2.gz SIDAYUIQWHGMDX-UHFFFAOYSA-N 2 0 357.524 0.683 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331062763 489170521 /nfs/dbraw/zinc/17/05/21/489170521.db2.gz VIGHZJCZMYGFSP-OAHLLOKOSA-N 2 0 354.520 0.662 20 0 FCADRP CN1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000366465460 489185956 /nfs/dbraw/zinc/18/59/56/489185956.db2.gz XPMSBBYMHQKSHU-QZTJIDSGSA-N 2 0 366.506 0.602 20 0 FCADRP CCNC(=O)COc1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1OC ZINC000570396742 491238007 /nfs/dbraw/zinc/23/80/07/491238007.db2.gz PDVOZGXNLLXPIU-HNNXBMFYSA-N 2 0 350.463 0.285 20 0 FCADRP C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000295429538 489193760 /nfs/dbraw/zinc/19/37/60/489193760.db2.gz VUDWMJXOGDFQIQ-GASCZTMLSA-N 2 0 363.506 0.937 20 0 FCADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cn1 ZINC000331291174 489194361 /nfs/dbraw/zinc/19/43/61/489194361.db2.gz WMPMAJXVXREPBK-UHFFFAOYSA-N 2 0 356.492 0.737 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000331368186 489202003 /nfs/dbraw/zinc/20/20/03/489202003.db2.gz BWPJQIAWCLUDFK-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000331370868 489202783 /nfs/dbraw/zinc/20/27/83/489202783.db2.gz GIBDOJQVZPUIEJ-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000331372558 489203221 /nfs/dbraw/zinc/20/32/21/489203221.db2.gz FFNQCWMKFPIYGA-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331390849 489205562 /nfs/dbraw/zinc/20/55/62/489205562.db2.gz JJVNCKQRQXQUNR-SJORKVTESA-N 2 0 350.507 0.776 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297692735 489224477 /nfs/dbraw/zinc/22/44/77/489224477.db2.gz HCQRDRMYIXRQBZ-UHFFFAOYSA-N 2 0 364.490 0.970 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297698991 489226035 /nfs/dbraw/zinc/22/60/35/489226035.db2.gz HMKBUMNXPROEEU-MRXNPFEDSA-N 2 0 360.458 0.643 20 0 FCADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000563397169 491241669 /nfs/dbraw/zinc/24/16/69/491241669.db2.gz QRNUPOGLHPHPTA-FUHWJXTLSA-N 2 0 353.532 0.777 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000332970253 489252001 /nfs/dbraw/zinc/25/20/01/489252001.db2.gz XACZTDVMKHLCQX-PMPSAXMXSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C[C@H]1n1ccnc1 ZINC000297861953 489252902 /nfs/dbraw/zinc/25/29/02/489252902.db2.gz VWHFBANXVLLBFR-DOTOQJQBSA-N 2 0 359.474 0.989 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C[C@@H]1n1ccnc1 ZINC000297861958 489253309 /nfs/dbraw/zinc/25/33/09/489253309.db2.gz VWHFBANXVLLBFR-RDJZCZTQSA-N 2 0 359.474 0.989 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369669491 489261815 /nfs/dbraw/zinc/26/18/15/489261815.db2.gz AQAFDTJFGCINQU-UHFFFAOYSA-N 2 0 352.483 1.240 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369789699 489276106 /nfs/dbraw/zinc/27/61/06/489276106.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370075993 489313956 /nfs/dbraw/zinc/31/39/56/489313956.db2.gz CWOKLWAJEMOTLA-WMZOPIPTSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000563448717 491247865 /nfs/dbraw/zinc/24/78/65/491247865.db2.gz LXYUZBNTFDTJFB-ZBFHGGJFSA-N 2 0 361.446 0.403 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370128117 489318659 /nfs/dbraw/zinc/31/86/59/489318659.db2.gz DINANQPESAKQIV-IXDOHACOSA-N 2 0 352.479 0.213 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000370468418 489362962 /nfs/dbraw/zinc/36/29/62/489362962.db2.gz ILRDDUPNYBKGCT-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000286166760 489363656 /nfs/dbraw/zinc/36/36/56/489363656.db2.gz QQEUJFKENAJHSL-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000286173088 489364964 /nfs/dbraw/zinc/36/49/64/489364964.db2.gz QZOYRJPDQGQDFW-KRWDZBQOSA-N 2 0 370.444 0.955 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000370516293 489369776 /nfs/dbraw/zinc/36/97/76/489369776.db2.gz AIDBIOBKPCLJJC-ROUUACIJSA-N 2 0 357.539 0.748 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000570583406 491251826 /nfs/dbraw/zinc/25/18/26/491251826.db2.gz GSSDUOIKYYNIPC-SJLPKXTDSA-N 2 0 360.502 0.876 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021576 489438847 /nfs/dbraw/zinc/43/88/47/489438847.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 2 0 353.511 0.175 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021149 489438923 /nfs/dbraw/zinc/43/89/23/489438923.db2.gz XQHUVNWAPVDDRL-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363220628 489440761 /nfs/dbraw/zinc/44/07/61/489440761.db2.gz FQYKNUDSNLLQFB-GOSISDBHSA-N 2 0 367.538 0.568 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371027659 489440770 /nfs/dbraw/zinc/44/07/70/489440770.db2.gz JRALXNSLZCGDEU-SFHVURJKSA-N 2 0 367.538 0.376 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000563562114 491255166 /nfs/dbraw/zinc/25/51/66/491255166.db2.gz NFWPWRSHCGYHFJ-UHFFFAOYSA-N 2 0 358.490 0.942 20 0 FCADRP C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+](C)CC1 ZINC000363413444 489464125 /nfs/dbraw/zinc/46/41/25/489464125.db2.gz CJUDYUYFRSEQQT-QGZVFWFLSA-N 2 0 352.523 0.774 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000570651399 491255655 /nfs/dbraw/zinc/25/56/55/491255655.db2.gz QIYPJFJVRLULEX-ROUUACIJSA-N 2 0 373.501 0.982 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000371630552 489491312 /nfs/dbraw/zinc/49/13/12/489491312.db2.gz VDETVQMZIYFCOW-RTBURBONSA-N 2 0 358.486 0.259 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000423106400 489493486 /nfs/dbraw/zinc/49/34/86/489493486.db2.gz ZUWRVQDBAWEUOQ-CQSZACIVSA-N 2 0 350.438 0.536 20 0 FCADRP O=C(CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563595721 491257111 /nfs/dbraw/zinc/25/71/11/491257111.db2.gz SFJQLMUJJCPBGS-HDICACEKSA-N 2 0 371.485 0.192 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000570679763 491257122 /nfs/dbraw/zinc/25/71/22/491257122.db2.gz XWYFRPGDZGURSQ-GDBMZVCRSA-N 2 0 362.478 0.125 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423126661 489495524 /nfs/dbraw/zinc/49/55/24/489495524.db2.gz SDRIAPSINISGPU-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423126660 489495621 /nfs/dbraw/zinc/49/56/21/489495621.db2.gz SDRIAPSINISGPU-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423154350 489497599 /nfs/dbraw/zinc/49/75/99/489497599.db2.gz OTPNSXLBTCAGLA-BZSNNMDCSA-N 2 0 362.518 0.921 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423149120 489497631 /nfs/dbraw/zinc/49/76/31/489497631.db2.gz XCRWLCBAGUCDBK-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423159820 489498177 /nfs/dbraw/zinc/49/81/77/489498177.db2.gz GQDGDKRAEIELFZ-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423160774 489498238 /nfs/dbraw/zinc/49/82/38/489498238.db2.gz HVGQMIDMYBMYST-ROUUACIJSA-N 2 0 373.501 0.702 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000423161801 489498267 /nfs/dbraw/zinc/49/82/67/489498267.db2.gz JRJIHSKUODYLNP-YOEHRIQHSA-N 2 0 364.465 0.912 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423170279 489498853 /nfs/dbraw/zinc/49/88/53/489498853.db2.gz XRQBEHOMVBJRTN-MSOLQXFVSA-N 2 0 373.501 0.715 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423170281 489498865 /nfs/dbraw/zinc/49/88/65/489498865.db2.gz XRQBEHOMVBJRTN-ROUUACIJSA-N 2 0 373.501 0.715 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)o1 ZINC000423171087 489499567 /nfs/dbraw/zinc/49/95/67/489499567.db2.gz NLLQZUZMQSUWPR-OKILXGFUSA-N 2 0 350.463 0.687 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423171160 489499665 /nfs/dbraw/zinc/49/96/65/489499665.db2.gz ZNVIWNFFYCIDDJ-AEFFLSMTSA-N 2 0 373.501 0.715 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423202733 489502085 /nfs/dbraw/zinc/50/20/85/489502085.db2.gz LDXIIPHDYYOALM-GDBMZVCRSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423207127 489502573 /nfs/dbraw/zinc/50/25/73/489502573.db2.gz RBXPAQATIOHNHO-IYBDPMFKSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423206292 489502910 /nfs/dbraw/zinc/50/29/10/489502910.db2.gz QHWCPVWQZWPFAI-MRXNPFEDSA-N 2 0 364.465 0.784 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423301304 489513496 /nfs/dbraw/zinc/51/34/96/489513496.db2.gz HGGMZXZCJZRPRA-AQFXKWCLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000451659704 489514561 /nfs/dbraw/zinc/51/45/61/489514561.db2.gz FOUNPNVUGSSERU-SCTDSRPQSA-N 2 0 362.518 0.792 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)c2)CC1 ZINC000415406445 489517438 /nfs/dbraw/zinc/51/74/38/489517438.db2.gz DMOVORFIGCFMLH-OAHLLOKOSA-N 2 0 361.490 0.739 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000415421795 489518719 /nfs/dbraw/zinc/51/87/19/489518719.db2.gz VTUSDSHRFXHQCO-HNNXBMFYSA-N 2 0 361.490 0.568 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)C1 ZINC000451719678 489519665 /nfs/dbraw/zinc/51/96/65/489519665.db2.gz XEXAGARAQRVGCZ-YDZRNGNQSA-N 2 0 367.534 0.942 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)ccc1OCC[NH+](C)C ZINC000415447074 489521815 /nfs/dbraw/zinc/52/18/15/489521815.db2.gz UBWNIKZCIGTNFH-HNNXBMFYSA-N 2 0 350.463 0.973 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415511449 489526413 /nfs/dbraw/zinc/52/64/13/489526413.db2.gz PAJZYHWVIOCHGI-AWEZNQCLSA-N 2 0 364.515 0.927 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)c2)CC1 ZINC000415570405 489531286 /nfs/dbraw/zinc/53/12/86/489531286.db2.gz LYAKKEWKYGKEJG-HZPDHXFCSA-N 2 0 373.501 0.963 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000563645471 491261177 /nfs/dbraw/zinc/26/11/77/491261177.db2.gz WHHCGIRLRZFTRT-UHFFFAOYSA-N 2 0 360.502 0.612 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415725093 489546786 /nfs/dbraw/zinc/54/67/86/489546786.db2.gz MBBOVUDZPZZNLR-QGZVFWFLSA-N 2 0 373.501 0.235 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748341 491261825 /nfs/dbraw/zinc/26/18/25/491261825.db2.gz AFFWPPHMCFCZBA-JKSUJKDBSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000415753846 489550075 /nfs/dbraw/zinc/55/00/75/489550075.db2.gz YYCZWZMGIXQBNY-HUUCEWRRSA-N 2 0 360.458 0.633 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000415893267 489563916 /nfs/dbraw/zinc/56/39/16/489563916.db2.gz MTDSAWBDOKLINR-LSDHHAIUSA-N 2 0 360.458 0.633 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005279 489567269 /nfs/dbraw/zinc/56/72/69/489567269.db2.gz JMHZBSYIXHFZHN-OLZOCXBDSA-N 2 0 353.433 0.839 20 0 FCADRP C[C@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000454647068 489574812 /nfs/dbraw/zinc/57/48/12/489574812.db2.gz TVQLCIJTWNVYGI-ZIAGYGMSSA-N 2 0 358.527 0.693 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399054 489580928 /nfs/dbraw/zinc/58/09/28/489580928.db2.gz ARESXVPGHZAVGT-AEFFLSMTSA-N 2 0 352.523 0.535 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000455334762 489589950 /nfs/dbraw/zinc/58/99/50/489589950.db2.gz OHLVQRQQAAETIO-UHFFFAOYSA-N 2 0 365.526 1.155 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728676 491266087 /nfs/dbraw/zinc/26/60/87/491266087.db2.gz ADYGYJMUXRAAAJ-WMZOPIPTSA-N 2 0 358.486 0.628 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)CCCCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000427783074 489620831 /nfs/dbraw/zinc/62/08/31/489620831.db2.gz PHCREUUPZBKGSW-USTZCAOPSA-N 2 0 362.518 0.587 20 0 FCADRP COc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+](C)C)cc1OC ZINC000416822639 489630655 /nfs/dbraw/zinc/63/06/55/489630655.db2.gz XMPMAGSYRWSNIQ-CQSZACIVSA-N 2 0 354.451 0.269 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416834736 489631461 /nfs/dbraw/zinc/63/14/61/489631461.db2.gz SPEBEMGJKWYRBI-AWEZNQCLSA-N 2 0 365.444 0.995 20 0 FCADRP COc1cccc([C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)c1 ZINC000416858252 489631707 /nfs/dbraw/zinc/63/17/07/489631707.db2.gz STJAHJPZHZCRFT-QGZVFWFLSA-N 2 0 350.463 0.795 20 0 FCADRP COC[C@@]1(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000416957894 489635891 /nfs/dbraw/zinc/63/58/91/489635891.db2.gz OKSBEKJBZSRSDP-WMZOPIPTSA-N 2 0 355.527 0.326 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000416963445 489636480 /nfs/dbraw/zinc/63/64/80/489636480.db2.gz UWTPOKFIDTYYTP-IRXDYDNUSA-N 2 0 356.511 0.801 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCCC1 ZINC000417172646 489643856 /nfs/dbraw/zinc/64/38/56/489643856.db2.gz FXCMUTXKPVSFCK-CVEARBPZSA-N 2 0 353.511 0.605 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417188790 489644510 /nfs/dbraw/zinc/64/45/10/489644510.db2.gz YAZHAPVNNKPWAJ-AWEZNQCLSA-N 2 0 353.511 0.746 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000555729986 491268589 /nfs/dbraw/zinc/26/85/89/491268589.db2.gz BGBLJAYEWOKOJG-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570840031 491268680 /nfs/dbraw/zinc/26/86/80/491268680.db2.gz RMPDYDXUNRSDSY-JCGIZDLHSA-N 2 0 358.486 0.998 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417377780 489650373 /nfs/dbraw/zinc/65/03/73/489650373.db2.gz DOTRRKBQOWKUCI-IBGZPJMESA-N 3 0 360.506 0.974 20 0 FCADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000457614652 489651839 /nfs/dbraw/zinc/65/18/39/489651839.db2.gz XDTHZYQQFFKVMT-IAGOWNOFSA-N 2 0 356.511 0.489 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428521494 489651962 /nfs/dbraw/zinc/65/19/62/489651962.db2.gz WIWGAZYXIKPTBN-OAHLLOKOSA-N 2 0 354.476 0.737 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417430766 489652659 /nfs/dbraw/zinc/65/26/59/489652659.db2.gz PVWJQFDIGCZKGY-HRCADAONSA-N 2 0 353.511 0.840 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000417460621 489654971 /nfs/dbraw/zinc/65/49/71/489654971.db2.gz RCFIQQXOQUBHPJ-MRXNPFEDSA-N 2 0 350.463 0.886 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000417474515 489655602 /nfs/dbraw/zinc/65/56/02/489655602.db2.gz NMTDIZWNZZCHFR-CQSZACIVSA-N 2 0 371.432 0.760 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000417477169 489655793 /nfs/dbraw/zinc/65/57/93/489655793.db2.gz QZCKOVNFJNKGIW-UHFFFAOYSA-N 2 0 361.490 0.871 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417519127 489656685 /nfs/dbraw/zinc/65/66/85/489656685.db2.gz ULFMMZNJRTUYKH-BZSNNMDCSA-N 2 0 364.490 0.576 20 0 FCADRP [NH3+]C1(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000417515867 489656759 /nfs/dbraw/zinc/65/67/59/489656759.db2.gz MEMSJGNMQWLXPC-UHFFFAOYSA-N 2 0 361.494 0.559 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000417524414 489656803 /nfs/dbraw/zinc/65/68/03/489656803.db2.gz JLBHBTMQSJWJNS-KRWDZBQOSA-N 2 0 350.463 0.457 20 0 FCADRP [NH3+]CCN(CCO)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417584197 489658743 /nfs/dbraw/zinc/65/87/43/489658743.db2.gz BEFMSBLFLAROHB-UHFFFAOYSA-N 2 0 350.463 0.624 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCCC1 ZINC000428636143 489659130 /nfs/dbraw/zinc/65/91/30/489659130.db2.gz YOJINWLTMUKKRC-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000417648713 489660092 /nfs/dbraw/zinc/66/00/92/489660092.db2.gz OTICMQJQVKIXBV-QGZVFWFLSA-N 2 0 369.554 0.454 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417674512 489660879 /nfs/dbraw/zinc/66/08/79/489660879.db2.gz ZPWCPLSFQCUAEI-IAGOWNOFSA-N 2 0 355.527 0.328 20 0 FCADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417742291 489663600 /nfs/dbraw/zinc/66/36/00/489663600.db2.gz AMWOOVHRRBWFNO-CQSZACIVSA-N 2 0 365.444 0.996 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417807650 489666493 /nfs/dbraw/zinc/66/64/93/489666493.db2.gz DGXZYLYJDCKYLD-WBVHZDCISA-N 2 0 353.511 0.664 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)nc2)CC1 ZINC000563809007 491269988 /nfs/dbraw/zinc/26/99/88/491269988.db2.gz DRTRWCGOCSAHPW-MRXNPFEDSA-N 2 0 374.489 0.419 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000417853103 489668660 /nfs/dbraw/zinc/66/86/60/489668660.db2.gz RRDRTHQXXJGRJK-HNNXBMFYSA-N 2 0 353.511 0.664 20 0 FCADRP CO[C@@H]1COC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000458107522 489669865 /nfs/dbraw/zinc/66/98/65/489669865.db2.gz OFIKWDJTQAGFDE-DLBZAZTESA-N 2 0 363.462 0.307 20 0 FCADRP COC[C@]1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC[NH2+]1 ZINC000417907049 489670872 /nfs/dbraw/zinc/67/08/72/489670872.db2.gz GMUWZAWOBJPCTB-YQVWRLOYSA-N 2 0 368.522 0.822 20 0 FCADRP COCC[NH2+]CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418001183 489674723 /nfs/dbraw/zinc/67/47/23/489674723.db2.gz WLWBJXLQGBWVBH-QGZVFWFLSA-N 2 0 350.463 0.288 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067974 489677412 /nfs/dbraw/zinc/67/74/12/489677412.db2.gz CONHRLGJFIOEHY-MSOLQXFVSA-N 2 0 362.474 0.647 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000458390511 489680515 /nfs/dbraw/zinc/68/05/15/489680515.db2.gz IDRMTJJKISBJGP-GOSISDBHSA-N 2 0 369.554 0.502 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433293 489682558 /nfs/dbraw/zinc/68/25/58/489682558.db2.gz IYGBASUTYMPXNW-IRXDYDNUSA-N 2 0 351.539 0.996 20 0 FCADRP COCC[NH+]1[C@@H]2CC[C@H]1CC(N(C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)C2 ZINC000458445610 489684560 /nfs/dbraw/zinc/68/45/60/489684560.db2.gz VEEKVVLIIGZHGV-HRBLRVMOSA-N 2 0 368.522 0.990 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448333 489684617 /nfs/dbraw/zinc/68/46/17/489684617.db2.gz XTYFKDQGVSEHDB-LPHOPBHVSA-N 2 0 365.522 0.701 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000418291294 489688821 /nfs/dbraw/zinc/68/88/21/489688821.db2.gz BCCFRNLPUYUAOR-UHFFFAOYSA-N 2 0 351.470 0.804 20 0 FCADRP CCC[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000418303641 489690207 /nfs/dbraw/zinc/69/02/07/489690207.db2.gz WFDOPHITSDRADZ-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418347710 489693295 /nfs/dbraw/zinc/69/32/95/489693295.db2.gz QUHJLASOZAPLHI-HZPDHXFCSA-N 2 0 353.511 0.570 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418351645 489693674 /nfs/dbraw/zinc/69/36/74/489693674.db2.gz ZVCVNIMGNOQNTK-GOSISDBHSA-N 2 0 363.506 0.953 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000555771330 491271881 /nfs/dbraw/zinc/27/18/81/491271881.db2.gz UFPYMHMTFTVGTI-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418414361 489697585 /nfs/dbraw/zinc/69/75/85/489697585.db2.gz RQDBIVMORHWJTR-JKSUJKDBSA-N 2 0 353.511 0.795 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418431016 489698395 /nfs/dbraw/zinc/69/83/95/489698395.db2.gz VYRUZKFLVPSIEP-HNNXBMFYSA-N 2 0 353.511 0.842 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418444526 489698811 /nfs/dbraw/zinc/69/88/11/489698811.db2.gz MKABYEIVSRDKFU-MRXNPFEDSA-N 2 0 353.511 0.938 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418453179 489698894 /nfs/dbraw/zinc/69/88/94/489698894.db2.gz YUFVFZMBTYLTPG-HNNXBMFYSA-N 2 0 353.511 0.795 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418447863 489699331 /nfs/dbraw/zinc/69/93/31/489699331.db2.gz PXQQUFROVGNSQN-QZTJIDSGSA-N 2 0 369.554 0.940 20 0 FCADRP C[C@@]1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[NH2+]C1 ZINC000418559334 489707159 /nfs/dbraw/zinc/70/71/59/489707159.db2.gz XZERBMOEBXCBTQ-GOSISDBHSA-N 2 0 353.511 0.668 20 0 FCADRP [NH3+]C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000418603249 489709005 /nfs/dbraw/zinc/70/90/05/489709005.db2.gz WKMZRLWOHFRJMC-CHWSQXEVSA-N 2 0 351.417 0.639 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000430105754 489720331 /nfs/dbraw/zinc/72/03/31/489720331.db2.gz PXQAGSULXJEUHV-PMACEKPBSA-N 2 0 372.513 0.784 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418724680 489720514 /nfs/dbraw/zinc/72/05/14/489720514.db2.gz OLVXTOOWINVUCP-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(F)F ZINC000418746652 489721250 /nfs/dbraw/zinc/72/12/50/489721250.db2.gz XWXJTBMTZSIIHK-KFWWJZLASA-N 2 0 356.417 0.904 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459277766 489725075 /nfs/dbraw/zinc/72/50/75/489725075.db2.gz AYUCNSPURMVFCB-CVEARBPZSA-N 2 0 354.495 0.997 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418776705 489726062 /nfs/dbraw/zinc/72/60/62/489726062.db2.gz GKTFODKWKCFCRC-KRWDZBQOSA-N 2 0 373.501 0.183 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807659 489733050 /nfs/dbraw/zinc/73/30/50/489733050.db2.gz PYSLVUDUQZXGBR-OAHLLOKOSA-N 2 0 354.495 0.096 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563885268 491275066 /nfs/dbraw/zinc/27/50/66/491275066.db2.gz JDVGMGMQKRSMIR-KRWDZBQOSA-N 2 0 369.473 0.820 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418821359 489738341 /nfs/dbraw/zinc/73/83/41/489738341.db2.gz QHXYLHMTXDVKDA-DLBZAZTESA-N 2 0 362.474 0.209 20 0 FCADRP CON1CCC([NH+](C)CCOCC[N@@H+](C)C2CCN(OC)CC2)CC1 ZINC000459586106 489739844 /nfs/dbraw/zinc/73/98/44/489739844.db2.gz XMXNOWLMYBUPTJ-UHFFFAOYSA-N 2 0 358.527 0.918 20 0 FCADRP CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829368 489742396 /nfs/dbraw/zinc/74/23/96/489742396.db2.gz IOPSDYBYKKSRNU-DZGCQCFKSA-N 2 0 350.463 0.893 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418827827 489742623 /nfs/dbraw/zinc/74/26/23/489742623.db2.gz HGLBBZACNFELGO-HOTGVXAUSA-N 2 0 366.506 0.333 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccs1 ZINC000418829429 489742911 /nfs/dbraw/zinc/74/29/11/489742911.db2.gz IWFZCBPUOZINJV-BFHYXJOUSA-N 2 0 350.488 0.535 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCCC1 ZINC000418829939 489743590 /nfs/dbraw/zinc/74/35/90/489743590.db2.gz FFIRNCRBUFQGJA-NVXWUHKLSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccs1 ZINC000418830044 489743762 /nfs/dbraw/zinc/74/37/62/489743762.db2.gz JCSDWJLHKMLRIA-BYNSBNAKSA-N 2 0 364.515 0.971 20 0 FCADRP C[C@](C[NH3+])(NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000430548316 489745095 /nfs/dbraw/zinc/74/50/95/489745095.db2.gz GWPNRUXHWPIHPL-GOSISDBHSA-N 2 0 352.523 0.855 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000418833276 489745218 /nfs/dbraw/zinc/74/52/18/489745218.db2.gz IAIGVAMEADQQGM-SZMVWBNQSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418832950 489745428 /nfs/dbraw/zinc/74/54/28/489745428.db2.gz MOVYXDBFIYEFFS-IHRRRGAJSA-N 2 0 352.504 0.971 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCCC1 ZINC000418833234 489745702 /nfs/dbraw/zinc/74/57/02/489745702.db2.gz HYIYLPNQAOTFKX-NVXWUHKLSA-N 2 0 374.485 0.769 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418834947 489746504 /nfs/dbraw/zinc/74/65/04/489746504.db2.gz MUUZEXIRHUWWDE-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418835893 489746580 /nfs/dbraw/zinc/74/65/80/489746580.db2.gz QFDWTWGOKFQWTO-GXTWGEPZSA-N 2 0 366.462 0.228 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCCC1 ZINC000418838425 489748796 /nfs/dbraw/zinc/74/87/96/489748796.db2.gz VIIUXTQNNSLEFL-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+](C)C)cc1OC ZINC000418838380 489749083 /nfs/dbraw/zinc/74/90/83/489749083.db2.gz VCTIBMXKRNPYNT-ZDUSSCGKSA-N 2 0 366.462 0.276 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000418839631 489750285 /nfs/dbraw/zinc/75/02/85/489750285.db2.gz DGWJGODTYMKAMM-DOTOQJQBSA-N 2 0 362.474 0.625 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000418839657 489750311 /nfs/dbraw/zinc/75/03/11/489750311.db2.gz DHLBAGBRWRUURE-FCGDIQPGSA-N 2 0 370.497 0.963 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474297484 489751852 /nfs/dbraw/zinc/75/18/52/489751852.db2.gz DGGNJHHQGRSGLX-GOSISDBHSA-N 2 0 358.486 0.692 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418842040 489752141 /nfs/dbraw/zinc/75/21/41/489752141.db2.gz HEFGVFZFFFGQQL-GOSISDBHSA-N 2 0 356.470 0.803 20 0 FCADRP CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000570962229 491276895 /nfs/dbraw/zinc/27/68/95/491276895.db2.gz OPPRZANERFUIHY-HNNXBMFYSA-N 2 0 353.488 0.513 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430619821 489756035 /nfs/dbraw/zinc/75/60/35/489756035.db2.gz BKMZRRCDCPIBMH-MRXNPFEDSA-N 2 0 368.522 0.629 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430619815 489756223 /nfs/dbraw/zinc/75/62/23/489756223.db2.gz BKMZRRCDCPIBMH-INIZCTEOSA-N 2 0 368.522 0.629 20 0 FCADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624233 489756531 /nfs/dbraw/zinc/75/65/31/489756531.db2.gz OFKXAUBYTYLFKK-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc21 ZINC000430621244 489756619 /nfs/dbraw/zinc/75/66/19/489756619.db2.gz CMWXMZDLYZPNBV-QGZVFWFLSA-N 2 0 356.470 0.720 20 0 FCADRP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620863 489756781 /nfs/dbraw/zinc/75/67/81/489756781.db2.gz IKIQKWQGZQREMQ-GOEBONIOSA-N 2 0 364.465 0.960 20 0 FCADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000430627594 489757413 /nfs/dbraw/zinc/75/74/13/489757413.db2.gz MLOOFBCURIPUOE-UHFFFAOYSA-N 2 0 352.523 0.822 20 0 FCADRP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625698 489757684 /nfs/dbraw/zinc/75/76/84/489757684.db2.gz KZAORBJKDZBFTR-IBGZPJMESA-N 2 0 372.513 0.798 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855304 489759530 /nfs/dbraw/zinc/75/95/30/489759530.db2.gz USNXPUQCESKOGJ-HOCLYGCPSA-N 2 0 362.474 0.754 20 0 FCADRP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430640808 489760350 /nfs/dbraw/zinc/76/03/50/489760350.db2.gz HZGYMVFKBGRLPB-HUUCEWRRSA-N 2 0 362.474 0.659 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418859767 489761135 /nfs/dbraw/zinc/76/11/35/489761135.db2.gz KTPNLTGVRGVCSW-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000418860181 489761704 /nfs/dbraw/zinc/76/17/04/489761704.db2.gz LMORVGXQCJWHIU-CYBMUJFWSA-N 2 0 350.488 0.999 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418861142 489762222 /nfs/dbraw/zinc/76/22/22/489762222.db2.gz MQTJVJYTGRMFEH-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430651258 489762464 /nfs/dbraw/zinc/76/24/64/489762464.db2.gz LHHKBJYTMMGTRD-QGZVFWFLSA-N 2 0 374.485 0.455 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000418864905 489764993 /nfs/dbraw/zinc/76/49/93/489764993.db2.gz RBSXZYOSNDQYCF-RDJZCZTQSA-N 2 0 362.474 0.754 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000418866527 489765111 /nfs/dbraw/zinc/76/51/11/489765111.db2.gz NEYJJDOLTDQQBB-OFLPRAFFSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418868803 489767135 /nfs/dbraw/zinc/76/71/35/489767135.db2.gz WQYMAEOIOVFLGM-WMLDXEAASA-N 2 0 362.474 0.482 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430732411 489767698 /nfs/dbraw/zinc/76/76/98/489767698.db2.gz AZNVDQSVHIWVAJ-SFHVURJKSA-N 2 0 374.485 0.507 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871085 489768236 /nfs/dbraw/zinc/76/82/36/489768236.db2.gz ZLHRPUUOXZOWMF-XLIONFOSSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)cn1 ZINC000430785610 489770390 /nfs/dbraw/zinc/77/03/90/489770390.db2.gz XLOCHEFMCQDRDO-MRXNPFEDSA-N 2 0 358.446 0.242 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418879092 489772715 /nfs/dbraw/zinc/77/27/15/489772715.db2.gz RYXBLMHZZLHEKH-WBVHZDCISA-N 2 0 360.458 0.508 20 0 FCADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878370 489774297 /nfs/dbraw/zinc/77/42/97/489774297.db2.gz NWBVKOQNPRSUAC-CRAIPNDOSA-N 2 0 354.495 0.062 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459892293 489782729 /nfs/dbraw/zinc/78/27/29/489782729.db2.gz DSSXEYBACXBABI-UHFFFAOYSA-N 2 0 356.511 0.356 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894671 489783826 /nfs/dbraw/zinc/78/38/26/489783826.db2.gz IRJXHCQFHHXCQF-RTBURBONSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@H](NC(=O)COC1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431016848 489785420 /nfs/dbraw/zinc/78/54/20/489785420.db2.gz YGPNLJDZVNYEGE-CYBMUJFWSA-N 2 0 350.438 0.743 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418915091 489788976 /nfs/dbraw/zinc/78/89/76/489788976.db2.gz UPAWOZNPLFRFPU-KNXALSJPSA-N 2 0 368.428 0.798 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)CC1 ZINC000459918043 489791848 /nfs/dbraw/zinc/79/18/48/489791848.db2.gz HYKJLXWIAYGYCC-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000459918041 489792433 /nfs/dbraw/zinc/79/24/33/489792433.db2.gz HYKJLXWIAYGYCC-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000459921865 489793893 /nfs/dbraw/zinc/79/38/93/489793893.db2.gz PPEUGRYETRVVPX-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccco1 ZINC000418935862 489796698 /nfs/dbraw/zinc/79/66/98/489796698.db2.gz DLLQKAILVPAYGQ-KBXCAEBGSA-N 2 0 350.463 0.976 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000491253191 489799518 /nfs/dbraw/zinc/79/95/18/489799518.db2.gz FIOBPZZJJVCPCB-UHFFFAOYSA-N 2 0 351.495 0.422 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1ccco1 ZINC000418948334 489800479 /nfs/dbraw/zinc/80/04/79/489800479.db2.gz TWJRLKZZLBLJEQ-RRFJBIMHSA-N 2 0 350.463 0.988 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccco1 ZINC000418948330 489800816 /nfs/dbraw/zinc/80/08/16/489800816.db2.gz TWJRLKZZLBLJEQ-QLFBSQMISA-N 2 0 350.463 0.988 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418956898 489803261 /nfs/dbraw/zinc/80/32/61/489803261.db2.gz SUTSJWDEXZCOJH-ZACQAIPSSA-N 2 0 368.522 0.504 20 0 FCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000418957406 489804521 /nfs/dbraw/zinc/80/45/21/489804521.db2.gz ZMQFSEXJQPEHSA-GOSISDBHSA-N 2 0 358.486 0.911 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000418984948 489810703 /nfs/dbraw/zinc/81/07/03/489810703.db2.gz FKKIMIOBVRBVEL-KSZLIROESA-N 2 0 358.486 0.950 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418987999 489811558 /nfs/dbraw/zinc/81/15/58/489811558.db2.gz RAWLNEUTCNWOFI-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCO1 ZINC000419004030 489814335 /nfs/dbraw/zinc/81/43/35/489814335.db2.gz DWXZABMFPLWIRQ-SFHVURJKSA-N 2 0 374.485 0.475 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419012659 489818120 /nfs/dbraw/zinc/81/81/20/489818120.db2.gz WVYGKQRJDPTTDO-QGZVFWFLSA-N 2 0 362.474 0.331 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419025796 489822461 /nfs/dbraw/zinc/82/24/61/489822461.db2.gz ZCYAQBTVCDVCFU-HDICACEKSA-N 2 0 356.470 0.576 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419027378 489823683 /nfs/dbraw/zinc/82/36/83/489823683.db2.gz CJNGCNIHYFMFBM-OAHLLOKOSA-N 2 0 370.563 0.954 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419032478 489826734 /nfs/dbraw/zinc/82/67/34/489826734.db2.gz WSLLEYCRXWPPQK-VVLHAWIVSA-N 2 0 352.523 0.975 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000419036371 489828125 /nfs/dbraw/zinc/82/81/25/489828125.db2.gz GJINSWXKEKBSTA-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000419036370 489828625 /nfs/dbraw/zinc/82/86/25/489828625.db2.gz GJINSWXKEKBSTA-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419036012 489828672 /nfs/dbraw/zinc/82/86/72/489828672.db2.gz GALZTVNEBYNHAW-NCOADZHNSA-N 2 0 368.522 0.448 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000419038389 489829280 /nfs/dbraw/zinc/82/92/80/489829280.db2.gz SGBRBRXWPQDRDQ-HNNXBMFYSA-N 2 0 368.547 0.708 20 0 FCADRP O=C(NCc1cccc(-n2ccnc2)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419042035 489831140 /nfs/dbraw/zinc/83/11/40/489831140.db2.gz OTEDZDPFNWJFBS-CVEARBPZSA-N 2 0 353.426 0.841 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419044395 489832081 /nfs/dbraw/zinc/83/20/81/489832081.db2.gz PUDXAMMEHAQQEN-DOTOQJQBSA-N 2 0 368.522 0.578 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000419045984 489833179 /nfs/dbraw/zinc/83/31/79/489833179.db2.gz WZTPNJWLGVVXMS-XHSDSOJGSA-N 2 0 356.511 0.339 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000460055261 489835817 /nfs/dbraw/zinc/83/58/17/489835817.db2.gz FXWYALPCZIOSNZ-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419065935 489841593 /nfs/dbraw/zinc/84/15/93/489841593.db2.gz DQBBDEAVXITHGR-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419072258 489845104 /nfs/dbraw/zinc/84/51/04/489845104.db2.gz BFJXXKYEOBKHST-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419071558 489845473 /nfs/dbraw/zinc/84/54/73/489845473.db2.gz LMGSFRIASHAQOF-INIZCTEOSA-N 2 0 360.502 0.987 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551380 489847247 /nfs/dbraw/zinc/84/72/47/489847247.db2.gz DVFYTWLHHGYPQK-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000460084188 489847300 /nfs/dbraw/zinc/84/73/00/489847300.db2.gz UENKCJOGAZCAFA-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000419080524 489848731 /nfs/dbraw/zinc/84/87/31/489848731.db2.gz XFGLUKZPOZTZDE-OAHLLOKOSA-N 2 0 362.474 0.249 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000377096278 489851137 /nfs/dbraw/zinc/85/11/37/489851137.db2.gz YZYXFMRDGVKBQW-INIZCTEOSA-N 2 0 368.522 0.992 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000564002774 491283070 /nfs/dbraw/zinc/28/30/70/491283070.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419099631 489854801 /nfs/dbraw/zinc/85/48/01/489854801.db2.gz FDTJJOLXIUWRAG-HNNXBMFYSA-N 2 0 362.474 0.283 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000460251340 489858270 /nfs/dbraw/zinc/85/82/70/489858270.db2.gz CRCAGWTUWAZCKO-GOSISDBHSA-N 2 0 350.463 0.493 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261786 489859448 /nfs/dbraw/zinc/85/94/48/489859448.db2.gz RQJXEAHFOBLYRW-UYAOXDASSA-N 2 0 360.502 0.917 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCCCC1 ZINC000419121914 489866395 /nfs/dbraw/zinc/86/63/95/489866395.db2.gz FIUBETCURIFFNX-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116844 489866433 /nfs/dbraw/zinc/86/64/33/489866433.db2.gz NCGTUZPKWHFVAQ-OAHLLOKOSA-N 2 0 360.524 0.120 20 0 FCADRP COc1cccc(C(=O)NCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433113163 489866807 /nfs/dbraw/zinc/86/68/07/489866807.db2.gz BLRBERXESPTFLN-UHFFFAOYSA-N 2 0 362.474 0.745 20 0 FCADRP C[C@H](CNC(=O)CC1(C(=O)NC[C@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000494244502 489877061 /nfs/dbraw/zinc/87/70/61/489877061.db2.gz JGISTKQHYIMMSE-CABCVRRESA-N 2 0 356.511 0.306 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000433373818 489879695 /nfs/dbraw/zinc/87/96/95/489879695.db2.gz LCUFIBPYTPKUID-OTWHNJEPSA-N 2 0 357.502 0.923 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420010630 489880554 /nfs/dbraw/zinc/88/05/54/489880554.db2.gz FRHSUKJVHPNTFW-BBWFWOEESA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCCN1CC1CCC1 ZINC000377313880 489883420 /nfs/dbraw/zinc/88/34/20/489883420.db2.gz AATXGABELNXJKD-SJLPKXTDSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030412 489885843 /nfs/dbraw/zinc/88/58/43/489885843.db2.gz GOMRMXPKQOEFKL-DZGCQCFKSA-N 2 0 366.462 0.399 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433467058 489887599 /nfs/dbraw/zinc/88/75/99/489887599.db2.gz PHWPKZLTOREUFO-ROUUACIJSA-N 2 0 370.538 0.879 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000420044157 489891889 /nfs/dbraw/zinc/89/18/89/489891889.db2.gz SOZLKFJDWWGGKJ-NUEKZKHPSA-N 2 0 366.506 0.406 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062007 489898733 /nfs/dbraw/zinc/89/87/33/489898733.db2.gz MJAALQOMKDVYEQ-DZGCQCFKSA-N 2 0 354.495 0.406 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091166 489907928 /nfs/dbraw/zinc/90/79/28/489907928.db2.gz MMFFZKSBCUFPHB-FQEVSTJZSA-N 2 0 374.485 0.079 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000564072662 491286952 /nfs/dbraw/zinc/28/69/52/491286952.db2.gz GWPLSYPRBPNUGL-MRXNPFEDSA-N 2 0 364.494 0.067 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420123331 489919982 /nfs/dbraw/zinc/91/99/82/489919982.db2.gz NHVLDPBQRADXFA-INIZCTEOSA-N 2 0 368.522 0.724 20 0 FCADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000495161688 489928247 /nfs/dbraw/zinc/92/82/47/489928247.db2.gz XSLXKWDSRVDLOY-UHFFFAOYSA-N 2 0 366.531 0.810 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420155878 489934302 /nfs/dbraw/zinc/93/43/02/489934302.db2.gz FBIBJPOCZNFYQE-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000495315054 489935185 /nfs/dbraw/zinc/93/51/85/489935185.db2.gz SPXJETVUFKZGMF-NVXWUHKLSA-N 2 0 366.506 0.333 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166308 489937725 /nfs/dbraw/zinc/93/77/25/489937725.db2.gz OBKDMPUYMGAJQY-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169569 489938748 /nfs/dbraw/zinc/93/87/48/489938748.db2.gz RKLGXCDXKQHEIY-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420173319 489940067 /nfs/dbraw/zinc/94/00/67/489940067.db2.gz XASURNRGZVUKHC-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000477087318 489940840 /nfs/dbraw/zinc/94/08/40/489940840.db2.gz WJHGUKDQGZFHAE-IAGOWNOFSA-N 2 0 369.554 0.221 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189153 489945701 /nfs/dbraw/zinc/94/57/01/489945701.db2.gz NRQGSNWTDLBYFK-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189086 489946090 /nfs/dbraw/zinc/94/60/90/489946090.db2.gz NOSMGMBDEXQKLM-INIZCTEOSA-N 2 0 356.511 0.308 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420197154 489948131 /nfs/dbraw/zinc/94/81/31/489948131.db2.gz LIJYKHKDFWNYLW-HIFRSBDPSA-N 2 0 352.504 0.882 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420195269 489948198 /nfs/dbraw/zinc/94/81/98/489948198.db2.gz KKCLGCAPDMNINJ-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420196692 489948389 /nfs/dbraw/zinc/94/83/89/489948389.db2.gz IVKAGAOCGRPBPC-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420201964 489949963 /nfs/dbraw/zinc/94/99/63/489949963.db2.gz NQWTUURJNRHJCX-NVXWUHKLSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000420201478 489950011 /nfs/dbraw/zinc/95/00/11/489950011.db2.gz FIDLIYWSKBXEGA-ZHCJQAHYSA-N 2 0 366.506 0.106 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420205959 489952189 /nfs/dbraw/zinc/95/21/89/489952189.db2.gz JMJDMXPJHPPHFT-NXOAAHMSSA-N 2 0 366.506 0.060 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC(O)C1 ZINC000420206388 489952378 /nfs/dbraw/zinc/95/23/78/489952378.db2.gz OZBNTJDJLXUNOA-UHFFFAOYSA-N 2 0 374.485 0.078 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCN1CCOC ZINC000420212200 489953757 /nfs/dbraw/zinc/95/37/57/489953757.db2.gz TWNCYCMRAPRVRS-HRCADAONSA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000571179793 491290789 /nfs/dbraw/zinc/29/07/89/491290789.db2.gz BFHSBQOAUVJZML-HUUCEWRRSA-N 2 0 350.467 0.854 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420210223 489953875 /nfs/dbraw/zinc/95/38/75/489953875.db2.gz VZMXNDTUADESFZ-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420221655 489955662 /nfs/dbraw/zinc/95/56/62/489955662.db2.gz ZNTVTKBTGNUJHK-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299040 489961131 /nfs/dbraw/zinc/96/11/31/489961131.db2.gz GDMROJIMIFUBJK-YSHGAJCASA-N 2 0 363.502 0.780 20 0 FCADRP CCCn1c(N)c(C(=O)CN2CCC(CC[NH2+]C)CC2)c(=O)[nH]c1=O ZINC000420307802 489961445 /nfs/dbraw/zinc/96/14/45/489961445.db2.gz MOKYPVBNWCGFFH-UHFFFAOYSA-N 2 0 351.451 0.445 20 0 FCADRP CNS(=O)(=O)c1ccccc1N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420308517 489961711 /nfs/dbraw/zinc/96/17/11/489961711.db2.gz CUNNCMZCYGLUSI-HNNXBMFYSA-N 2 0 352.504 0.716 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299038 489961829 /nfs/dbraw/zinc/96/18/29/489961829.db2.gz GDMROJIMIFUBJK-NQYYFHDYSA-N 2 0 363.502 0.780 20 0 FCADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420336562 489964388 /nfs/dbraw/zinc/96/43/88/489964388.db2.gz IVTZCRKWNKWGSS-SJORKVTESA-N 2 0 350.507 0.431 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335484 489964674 /nfs/dbraw/zinc/96/46/74/489964674.db2.gz VARKIGSUCHJCBR-ULQDDVLXSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345299 489965438 /nfs/dbraw/zinc/96/54/38/489965438.db2.gz ALOYISKPPJQQCR-RBUKOAKNSA-N 2 0 359.518 0.385 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377843274 489967104 /nfs/dbraw/zinc/96/71/04/489967104.db2.gz HLUOTGUYWGSXAL-KRWDZBQOSA-N 2 0 352.523 0.774 20 0 FCADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420367858 489968913 /nfs/dbraw/zinc/96/89/13/489968913.db2.gz AFHVEKPMWCTJFA-AAEUAGOBSA-N 2 0 366.384 0.593 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619960 489978615 /nfs/dbraw/zinc/97/86/15/489978615.db2.gz ZYXLPKLUDHOCLV-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639113 489980011 /nfs/dbraw/zinc/98/00/11/489980011.db2.gz DRRGFQZJGKTRSW-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000477651638 489981570 /nfs/dbraw/zinc/98/15/70/489981570.db2.gz JOHLBQIPGDQOCJ-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000477650999 489981900 /nfs/dbraw/zinc/98/19/00/489981900.db2.gz HVERXJFBGITYGU-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556082941 491293075 /nfs/dbraw/zinc/29/30/75/491293075.db2.gz WMTOPRKDQIKSDB-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)c1cc(NCCCC[NH+]2CCN(CCO)CC2)nc(N(C)C)[nH+]1 ZINC000462841353 489993536 /nfs/dbraw/zinc/99/35/36/489993536.db2.gz ZJPDIGBGCLONJP-UHFFFAOYSA-N 2 0 364.538 1.468 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000571149411 491288243 /nfs/dbraw/zinc/28/82/43/491288243.db2.gz DFSZAQOWBBYROY-CVEARBPZSA-N 2 0 365.522 0.713 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420735982 490015683 /nfs/dbraw/zinc/01/56/83/490015683.db2.gz KTXCYSMSPJQTFS-OAHLLOKOSA-N 2 0 357.524 0.776 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539483 490023828 /nfs/dbraw/zinc/02/38/28/490023828.db2.gz FKODEDWFXPYIHF-RDJZCZTQSA-N 2 0 359.474 0.990 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853675 490025766 /nfs/dbraw/zinc/02/57/66/490025766.db2.gz DSVGNLAOYBNSIC-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000420842987 490026031 /nfs/dbraw/zinc/02/60/31/490026031.db2.gz NQUIZZPSJDLWNF-INIZCTEOSA-N 2 0 353.511 0.714 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378322114 490050081 /nfs/dbraw/zinc/05/00/81/490050081.db2.gz ZYKXVLZAYZQGRP-HXUWFJFHSA-N 2 0 372.513 0.649 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000564253667 491296624 /nfs/dbraw/zinc/29/66/24/491296624.db2.gz VLOQWIMYZDNBLT-INIZCTEOSA-N 2 0 360.502 0.960 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061417 490065690 /nfs/dbraw/zinc/06/56/90/490065690.db2.gz RTKXLPRNYGUHFZ-CYBMUJFWSA-N 2 0 354.476 0.642 20 0 FCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057654 490066324 /nfs/dbraw/zinc/06/63/24/490066324.db2.gz HOGDFECTHQADEB-OLZOCXBDSA-N 2 0 354.476 0.722 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000479294024 490081489 /nfs/dbraw/zinc/08/14/89/490081489.db2.gz GIEVAIPNFNBUSZ-BRWVUGGUSA-N 2 0 360.458 0.514 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496266593 490109416 /nfs/dbraw/zinc/10/94/16/490109416.db2.gz NVOSAYZXAIDKLW-MRXNPFEDSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496368693 490116693 /nfs/dbraw/zinc/11/66/93/490116693.db2.gz ZFSKIBJENYXQBB-UHFFFAOYSA-N 2 0 369.554 0.175 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000520216843 490117330 /nfs/dbraw/zinc/11/73/30/490117330.db2.gz MSJUZJJHCBAZJZ-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479829407 490126788 /nfs/dbraw/zinc/12/67/88/490126788.db2.gz OTBDOKQWJDAGQE-CAOSSQGBSA-N 2 0 362.518 0.964 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC2C[NH2+]C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000520370406 490138713 /nfs/dbraw/zinc/13/87/13/490138713.db2.gz JTXGUVJRTLXZIT-UHFFFAOYSA-N 2 0 359.474 0.552 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000520384986 490141028 /nfs/dbraw/zinc/14/10/28/490141028.db2.gz JBWGBEPXONGNNF-CABCVRRESA-N 2 0 366.506 0.297 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000497319204 490145786 /nfs/dbraw/zinc/14/57/86/490145786.db2.gz NLWHJOQPHIYECJ-AWEZNQCLSA-N 2 0 358.552 0.810 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839718 490146580 /nfs/dbraw/zinc/14/65/80/490146580.db2.gz JJUXCQDMSIHEGR-OWCLPIDISA-N 2 0 353.511 0.711 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465915583 490150853 /nfs/dbraw/zinc/15/08/53/490150853.db2.gz AFENOTBQZIXZSD-QGZVFWFLSA-N 2 0 355.527 0.160 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556205409 491302924 /nfs/dbraw/zinc/30/29/24/491302924.db2.gz OWICLGHWSSVPHA-WMLDXEAASA-N 2 0 356.536 0.388 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351979 491302945 /nfs/dbraw/zinc/30/29/45/491302945.db2.gz RFLSPTHSVDTUPF-ZWKOTPCHSA-N 2 0 371.485 0.604 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206675 491303109 /nfs/dbraw/zinc/30/31/09/491303109.db2.gz MPTMBWRBXMSMNZ-GOSISDBHSA-N 2 0 370.563 0.874 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000465949020 490156257 /nfs/dbraw/zinc/15/62/57/490156257.db2.gz CXHHBBAABGQIDG-CABCVRRESA-N 2 0 351.495 0.357 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272730 490156838 /nfs/dbraw/zinc/15/68/38/490156838.db2.gz UKNIZEZYJWMKSY-XTDOFWJNSA-N 2 0 366.506 0.223 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466033506 490160220 /nfs/dbraw/zinc/16/02/20/490160220.db2.gz LDWJCNNWGCVCLO-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000466150859 490168168 /nfs/dbraw/zinc/16/81/68/490168168.db2.gz VTVPNENVIHECQU-KRWDZBQOSA-N 2 0 369.554 0.622 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233893 490172504 /nfs/dbraw/zinc/17/25/04/490172504.db2.gz FUNWMGFUOFRJHC-HYVNUMGLSA-N 2 0 365.522 0.711 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466294433 490175372 /nfs/dbraw/zinc/17/53/72/490175372.db2.gz YYPBOHNAOXPUII-IRXDYDNUSA-N 2 0 365.522 0.890 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000422126485 490178219 /nfs/dbraw/zinc/17/82/19/490178219.db2.gz WVNXXPQOFINNAS-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000422131649 490179615 /nfs/dbraw/zinc/17/96/15/490179615.db2.gz HHQLKNQJAOXJCH-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000520695000 490179841 /nfs/dbraw/zinc/17/98/41/490179841.db2.gz KDHAXYAFLJSWKJ-BMFAXAFESA-N 2 0 357.539 0.481 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507355836 490201875 /nfs/dbraw/zinc/20/18/75/490201875.db2.gz GEJMALZKICUWOG-CQSZACIVSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355199 491310976 /nfs/dbraw/zinc/31/09/76/491310976.db2.gz POJBVOHARGQIQI-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000521038716 490216862 /nfs/dbraw/zinc/21/68/62/490216862.db2.gz HSGYGOMPHGHVBL-ULQDDVLXSA-N 2 0 368.522 0.498 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000521174262 490232288 /nfs/dbraw/zinc/23/22/88/490232288.db2.gz ZJQZTANWWXLHCP-SFHVURJKSA-N 2 0 356.474 0.976 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000497945745 490235741 /nfs/dbraw/zinc/23/57/41/490235741.db2.gz CHVGKTRVLOWCDT-ZFWWWQNUSA-N 2 0 355.504 0.994 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000498040138 490249529 /nfs/dbraw/zinc/24/95/29/490249529.db2.gz UZXLNBFCLOIMIJ-OAHLLOKOSA-N 2 0 353.417 0.707 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000521323718 490249738 /nfs/dbraw/zinc/24/97/38/490249738.db2.gz ITTUZAQRHYOKDP-QGZVFWFLSA-N 2 0 356.536 0.714 20 0 FCADRP COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000521406090 490257873 /nfs/dbraw/zinc/25/78/73/490257873.db2.gz HZEYVXPOJDXLPH-FVQHAEBGSA-N 2 0 351.472 0.656 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000422348746 490271819 /nfs/dbraw/zinc/27/18/19/490271819.db2.gz GDALEPAQOMABEA-GOSISDBHSA-N 2 0 372.513 0.754 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000422374024 490285977 /nfs/dbraw/zinc/28/59/77/490285977.db2.gz GSHUJQHQCRFRNW-KRWDZBQOSA-N 2 0 364.465 0.926 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000533815237 490286961 /nfs/dbraw/zinc/28/69/61/490286961.db2.gz KPCJREUQOGWFSM-KLHDSHLOSA-N 2 0 370.563 0.917 20 0 FCADRP OC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](CO)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000447909819 490290461 /nfs/dbraw/zinc/29/04/61/490290461.db2.gz DRVANTSPFNWZLP-JVSBHGNQSA-N 2 0 364.486 0.946 20 0 FCADRP CC(C)OCCCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000508278720 490314016 /nfs/dbraw/zinc/31/40/16/490314016.db2.gz GGSUIDLAGNOINU-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000571620056 491319281 /nfs/dbraw/zinc/31/92/81/491319281.db2.gz VPMZAGCATNUAKP-KRWDZBQOSA-N 2 0 368.522 0.356 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498852501 490353147 /nfs/dbraw/zinc/35/31/47/490353147.db2.gz HUBYQGPFCHVJBN-CALCHBBNSA-N 2 0 366.506 0.322 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000422487647 490353373 /nfs/dbraw/zinc/35/33/73/490353373.db2.gz INEUKYIALHHEFX-IRXDYDNUSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522258383 490360488 /nfs/dbraw/zinc/36/04/88/490360488.db2.gz QVUWKBNQXDYEQZ-FRQCXROJSA-N 2 0 352.523 0.927 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000422497011 490361412 /nfs/dbraw/zinc/36/14/12/490361412.db2.gz UYLXPNDSBULAGX-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000498935393 490366261 /nfs/dbraw/zinc/36/62/61/490366261.db2.gz FENYWHBNNXMSBU-KRWDZBQOSA-N 2 0 366.506 0.372 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000571662635 491321590 /nfs/dbraw/zinc/32/15/90/491321590.db2.gz WMJAQQROMGSKAZ-CRAIPNDOSA-N 2 0 370.563 0.921 20 0 FCADRP CC[NH+]1CCC(NC(=O)CSCC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000534524928 490376000 /nfs/dbraw/zinc/37/60/00/490376000.db2.gz WDCDDZSZCRZVHP-UHFFFAOYSA-N 2 0 370.563 0.921 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000468294864 490382863 /nfs/dbraw/zinc/38/28/63/490382863.db2.gz GOKIIBYWNQONKW-UHFFFAOYSA-N 2 0 351.539 0.254 20 0 FCADRP O=C(CN1CCCNC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522709174 490396784 /nfs/dbraw/zinc/39/67/84/490396784.db2.gz FZOIPMOQSOOZIV-UHFFFAOYSA-N 2 0 360.462 0.125 20 0 FCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000422546435 490400853 /nfs/dbraw/zinc/40/08/53/490400853.db2.gz URLKZJVMKDWAMR-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP Cc1nnc2n1C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)CC2 ZINC000534718148 490401547 /nfs/dbraw/zinc/40/15/47/490401547.db2.gz QWSQJHJCOWVZNC-OAHLLOKOSA-N 2 0 363.510 0.474 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339898 490409341 /nfs/dbraw/zinc/40/93/41/490409341.db2.gz LNHDOKXVHZPPTM-OXQOHEQNSA-N 2 0 358.486 0.621 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000449350389 490410637 /nfs/dbraw/zinc/41/06/37/490410637.db2.gz ZBPBDKVMQPHMIB-FHLIZLRMSA-N 2 0 358.486 0.856 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000509485796 490432455 /nfs/dbraw/zinc/43/24/55/490432455.db2.gz CEGGIYGOIMEQOA-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000509709223 490454027 /nfs/dbraw/zinc/45/40/27/490454027.db2.gz AKTYAJHOANLONT-JKSUJKDBSA-N 2 0 356.511 0.402 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000509724508 490458173 /nfs/dbraw/zinc/45/81/73/490458173.db2.gz NKRZLEDUFYXXNM-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422709325 490462659 /nfs/dbraw/zinc/46/26/59/490462659.db2.gz KIRYKPCMIHCQRL-HNNXBMFYSA-N 2 0 355.508 0.250 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523481632 490469712 /nfs/dbraw/zinc/46/97/12/490469712.db2.gz HZNSCOASKCUNDU-JKSUJKDBSA-N 2 0 355.527 0.959 20 0 FCADRP O=C(CSCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000535262632 490470642 /nfs/dbraw/zinc/47/06/42/490470642.db2.gz OEWISZZRRIVVKO-ZIAGYGMSSA-N 2 0 366.531 0.425 20 0 FCADRP C[C@@H]1CC[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000535261132 490470744 /nfs/dbraw/zinc/47/07/44/490470744.db2.gz UZKKULVWFJESBM-IYBDPMFKSA-N 2 0 370.563 0.825 20 0 FCADRP C[NH+]1CCC[C@@H](CNC(=O)CSCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000535261020 490471303 /nfs/dbraw/zinc/47/13/03/490471303.db2.gz JDRHTEAVWGGNQO-HOTGVXAUSA-N 2 0 370.563 0.636 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944253 490480634 /nfs/dbraw/zinc/48/06/34/490480634.db2.gz HCIZRWAKDYWSQH-DLBZAZTESA-N 2 0 352.523 0.807 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)CC[NH2+]CC1 ZINC000422848828 490484798 /nfs/dbraw/zinc/48/47/98/490484798.db2.gz KOZXXQBQJZWGJE-CVEARBPZSA-N 2 0 369.506 0.781 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000413578314 490504263 /nfs/dbraw/zinc/50/42/63/490504263.db2.gz YOXUEHSLTVSTGG-MRXNPFEDSA-N 2 0 354.495 0.999 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985300 490511706 /nfs/dbraw/zinc/51/17/06/490511706.db2.gz DANHINDXLJBWQU-GVDBMIGSSA-N 2 0 360.506 0.999 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1=O ZINC000510407054 490513664 /nfs/dbraw/zinc/51/36/64/490513664.db2.gz OYHYNSKVZZJJRL-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500470107 490521193 /nfs/dbraw/zinc/52/11/93/490521193.db2.gz XNCDACLEDKSYKE-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000423031588 490524191 /nfs/dbraw/zinc/52/41/91/490524191.db2.gz XGFBMPGRQMVOLZ-MRXNPFEDSA-N 2 0 360.458 0.030 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000423031587 490524429 /nfs/dbraw/zinc/52/44/29/490524429.db2.gz XGFBMPGRQMVOLZ-INIZCTEOSA-N 2 0 360.458 0.030 20 0 FCADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C(=O)CCC1=O ZINC000524319541 490531762 /nfs/dbraw/zinc/53/17/62/490531762.db2.gz IMIFXHMRNRPWAF-OAHLLOKOSA-N 2 0 373.457 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423061116 490532977 /nfs/dbraw/zinc/53/29/77/490532977.db2.gz QDUCKXCBGJCWEW-NUJGCVRESA-N 2 0 358.486 0.928 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524390677 490534365 /nfs/dbraw/zinc/53/43/65/490534365.db2.gz BKDHDZOENDCZOW-FQEVSTJZSA-N 2 0 360.502 0.377 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524423813 490538369 /nfs/dbraw/zinc/53/83/69/490538369.db2.gz GXHNWWDIWBFYQW-SFHVURJKSA-N 2 0 367.538 0.256 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000524464401 490539541 /nfs/dbraw/zinc/53/95/41/490539541.db2.gz NCVZECCDHMAIFS-MRXNPFEDSA-N 2 0 355.527 0.375 20 0 FCADRP CCC[C@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC000500762424 490549191 /nfs/dbraw/zinc/54/91/91/490549191.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 0 356.511 0.849 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000500848354 490558969 /nfs/dbraw/zinc/55/89/69/490558969.db2.gz VDADCLOGPMWCNP-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000500957094 490564173 /nfs/dbraw/zinc/56/41/73/490564173.db2.gz XMMSJIUXMABOKA-SFHVURJKSA-N 2 0 365.566 0.687 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000501112845 490579790 /nfs/dbraw/zinc/57/97/90/490579790.db2.gz RAGAZRJOVGRLMK-QGZVFWFLSA-N 2 0 360.568 0.806 20 0 FCADRP CCC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486034612 490586657 /nfs/dbraw/zinc/58/66/57/490586657.db2.gz GTMFXCOLYZTVRE-MZBWOGCUSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000536600905 490596702 /nfs/dbraw/zinc/59/67/02/490596702.db2.gz SEVUCCFWNRMYJR-OAHLLOKOSA-N 2 0 357.495 0.687 20 0 FCADRP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000564940948 491338730 /nfs/dbraw/zinc/33/87/30/491338730.db2.gz VIKQYSWHSACKCY-HOTGVXAUSA-N 2 0 366.506 0.394 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374323 490600384 /nfs/dbraw/zinc/60/03/84/490600384.db2.gz BIKWYPDUUMNKNK-HZPDHXFCSA-N 2 0 353.511 0.605 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000486281044 490604239 /nfs/dbraw/zinc/60/42/39/490604239.db2.gz NSXLDHRYCDADKI-LJQANCHMSA-N 3 0 372.517 0.100 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550000420 490619238 /nfs/dbraw/zinc/61/92/38/490619238.db2.gz HCFUGAWYUWTTET-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501593995 490620686 /nfs/dbraw/zinc/62/06/86/490620686.db2.gz CZQIMLIWFMEYRR-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000550045990 490621065 /nfs/dbraw/zinc/62/10/65/490621065.db2.gz NOFMDACYSXNISW-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP CCCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000525688091 490621305 /nfs/dbraw/zinc/62/13/05/490621305.db2.gz VKLSCNZEYDDWPW-MRXNPFEDSA-N 2 0 366.506 0.694 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615177 490624255 /nfs/dbraw/zinc/62/42/55/490624255.db2.gz VDHOLJCSYXRVCC-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000525882720 490646012 /nfs/dbraw/zinc/64/60/12/490646012.db2.gz PQXYBRKUNARFIJ-UHFFFAOYSA-N 2 0 364.446 0.364 20 0 FCADRP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000537117742 490649115 /nfs/dbraw/zinc/64/91/15/490649115.db2.gz ZRLIPAWCFDGDJJ-IRXDYDNUSA-N 2 0 361.552 0.322 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000550294289 490656589 /nfs/dbraw/zinc/65/65/89/490656589.db2.gz CTYUWPZWUQYYHF-GDBMZVCRSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771164 490669544 /nfs/dbraw/zinc/66/95/44/490669544.db2.gz KWVOUHBZDWWALI-ZBFHGGJFSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771161 490669705 /nfs/dbraw/zinc/66/97/05/490669705.db2.gz KWVOUHBZDWWALI-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565033639 491346933 /nfs/dbraw/zinc/34/69/33/491346933.db2.gz PIECVVYGKKUSHI-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512809772 490699991 /nfs/dbraw/zinc/69/99/91/490699991.db2.gz VWVNHBVABMRXTB-ROUUACIJSA-N 2 0 367.538 0.255 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512810237 490700101 /nfs/dbraw/zinc/70/01/01/490700101.db2.gz YWAIKIKMNFKHSI-UHFFFAOYSA-N 2 0 369.554 0.502 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000565039854 491347702 /nfs/dbraw/zinc/34/77/02/491347702.db2.gz HKOCHHTXGDYVHH-SFHVURJKSA-N 2 0 361.490 0.472 20 0 FCADRP Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1CC(C)C ZINC000527124373 490701467 /nfs/dbraw/zinc/70/14/67/490701467.db2.gz VYDOCAYAGVNKGX-UHFFFAOYSA-N 2 0 366.510 0.738 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1C ZINC000487465222 490714188 /nfs/dbraw/zinc/71/41/88/490714188.db2.gz BREUIQHHFXINRQ-SFHVURJKSA-N 2 0 369.554 0.358 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011950 491349066 /nfs/dbraw/zinc/34/90/66/491349066.db2.gz QFXWCBVFSQVGBI-RDJZCZTQSA-N 2 0 362.449 0.898 20 0 FCADRP COc1cccc(C(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527368163 490720002 /nfs/dbraw/zinc/72/00/02/490720002.db2.gz XKGFFBIKJQVLHK-UHFFFAOYSA-N 2 0 350.463 0.377 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000557015957 491349656 /nfs/dbraw/zinc/34/96/56/491349656.db2.gz SDAAUVYIIIWBJI-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP COc1ncc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(N)=O ZINC000527381788 490722096 /nfs/dbraw/zinc/72/20/96/490722096.db2.gz JBBPOYKTKRQXAA-UHFFFAOYSA-N 2 0 352.439 0.146 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000502836130 490723947 /nfs/dbraw/zinc/72/39/47/490723947.db2.gz NYKQTJFMCZYTIQ-FPCVCCKLSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H](CNC(=O)COCC(=O)NC[C@H](C)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000538274095 490724551 /nfs/dbraw/zinc/72/45/51/490724551.db2.gz GPFAIQCLLDUSPM-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ncnn1-c1ccccc1 ZINC000527458517 490726333 /nfs/dbraw/zinc/72/63/33/490726333.db2.gz UVIFTFOVDZRLQF-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000488351131 490756395 /nfs/dbraw/zinc/75/63/95/490756395.db2.gz FBDSUBFROQVDCO-FXUDXRNXSA-N 2 0 350.507 0.537 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000514073921 490761175 /nfs/dbraw/zinc/76/11/75/490761175.db2.gz FROPAOFWZNSVMC-UHFFFAOYSA-N 2 0 365.566 0.641 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000572068456 491346726 /nfs/dbraw/zinc/34/67/26/491346726.db2.gz XYSJYKXXYDKTTD-KFWWJZLASA-N 2 0 354.495 0.201 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000557113386 491354217 /nfs/dbraw/zinc/35/42/17/491354217.db2.gz BPNJYLJHBYKQPB-LJQANCHMSA-N 2 0 359.518 0.896 20 0 FCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000514596399 490773630 /nfs/dbraw/zinc/77/36/30/490773630.db2.gz VUBGPSUTXQJWIX-HNNXBMFYSA-N 2 0 352.504 0.782 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000539282511 490774915 /nfs/dbraw/zinc/77/49/15/490774915.db2.gz KQCGFCIUWITFMG-CQSZACIVSA-N 2 0 364.494 0.935 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121542 491354658 /nfs/dbraw/zinc/35/46/58/491354658.db2.gz VPMNGNBRZQYZHV-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000514661660 490778438 /nfs/dbraw/zinc/77/84/38/490778438.db2.gz KBXPVAPWAISKMZ-LSDHHAIUSA-N 2 0 360.458 0.906 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000514847078 490792474 /nfs/dbraw/zinc/79/24/74/490792474.db2.gz CUMBWKIQHGWESV-KRWDZBQOSA-N 2 0 360.506 0.772 20 0 FCADRP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850471 490793080 /nfs/dbraw/zinc/79/30/80/490793080.db2.gz NESFJKPPUPVIQO-RDJZCZTQSA-N 2 0 362.518 0.968 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000557168628 491358003 /nfs/dbraw/zinc/35/80/03/491358003.db2.gz GWXPCCKPSJZVLT-DYESRHJHSA-N 2 0 370.497 0.588 20 0 FCADRP C[C@H](CNC(=O)CSCC(=O)NC[C@H](C)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000540474475 490824876 /nfs/dbraw/zinc/82/48/76/490824876.db2.gz VTKKXQNOKGELBB-IYBDPMFKSA-N 2 0 370.563 0.921 20 0 FCADRP CN1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000557183148 491358348 /nfs/dbraw/zinc/35/83/48/491358348.db2.gz SKQGSAVBCVUCME-LBPRGKRZSA-N 2 0 361.368 0.764 20 0 FCADRP C[C@]1(CO)C[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C[C@@]1(C)CO ZINC000528751567 490826164 /nfs/dbraw/zinc/82/61/64/490826164.db2.gz LWVSSLMRCITRJC-KDURUIRLSA-N 2 0 365.474 0.237 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515673283 490835027 /nfs/dbraw/zinc/83/50/27/490835027.db2.gz SWRNKXRCKRQUGH-BZUAXINKSA-N 2 0 351.495 0.450 20 0 FCADRP Cc1onc(CO)c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000515669276 490835312 /nfs/dbraw/zinc/83/53/12/490835312.db2.gz XZXGUEYFZPOAAV-UHFFFAOYSA-N 2 0 359.430 0.812 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCSc1nnnn1C ZINC000505766330 490839104 /nfs/dbraw/zinc/83/91/04/490839104.db2.gz ODVFLLXTJJPUOK-AWEZNQCLSA-N 2 0 369.539 0.567 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[NH+](C)CC1 ZINC000572301301 491361146 /nfs/dbraw/zinc/36/11/46/491361146.db2.gz AULPDKLKBVXWPZ-RDJZCZTQSA-N 2 0 354.564 0.956 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224459 491361367 /nfs/dbraw/zinc/36/13/67/491361367.db2.gz JENATBPKJNDRCU-LPHOPBHVSA-N 2 0 360.458 0.496 20 0 FCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000516059001 490848189 /nfs/dbraw/zinc/84/81/89/490848189.db2.gz VGRVPYWDAUHJMN-AWEZNQCLSA-N 2 0 352.483 0.524 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000529301719 490848879 /nfs/dbraw/zinc/84/88/79/490848879.db2.gz VNKIGGOCDGVSAF-KRWDZBQOSA-N 2 0 360.506 0.973 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1COCC[NH2+]1 ZINC000529308678 490849689 /nfs/dbraw/zinc/84/96/89/490849689.db2.gz WHWAPDUWKKNUDE-QGZVFWFLSA-N 2 0 362.474 0.949 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308940 490849892 /nfs/dbraw/zinc/84/98/92/490849892.db2.gz WUUJYOVGPWLAJB-OAHLLOKOSA-N 2 0 351.495 0.513 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529322097 490851710 /nfs/dbraw/zinc/85/17/10/490851710.db2.gz KMALYOKIZNIDPC-QZTJIDSGSA-N 2 0 362.474 0.565 20 0 FCADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000516177682 490854737 /nfs/dbraw/zinc/85/47/37/490854737.db2.gz WWFKQKXCWQLXNK-SOUVJXGZSA-N 2 0 354.520 0.188 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000541210642 490855139 /nfs/dbraw/zinc/85/51/39/490855139.db2.gz AFAPQUJZWRFVJH-DOTOQJQBSA-N 2 0 369.506 0.613 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207290 490856564 /nfs/dbraw/zinc/85/65/64/490856564.db2.gz MSHUZCGXGSYJKD-IRXDYDNUSA-N 2 0 366.506 0.300 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529374627 490857255 /nfs/dbraw/zinc/85/72/55/490857255.db2.gz GMZGYPLKALLFTE-MRXNPFEDSA-N 2 0 353.511 0.034 20 0 FCADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000529373567 490857380 /nfs/dbraw/zinc/85/73/80/490857380.db2.gz FYRLNVWKEBNVES-KRWDZBQOSA-N 2 0 361.490 0.718 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000529377341 490858260 /nfs/dbraw/zinc/85/82/60/490858260.db2.gz VDYLOJMGHQZWLK-RCCFBDPRSA-N 2 0 362.474 0.157 20 0 FCADRP COC[C@@]1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]C1 ZINC000516567778 490868428 /nfs/dbraw/zinc/86/84/28/490868428.db2.gz BUSUHXBMXOPCIW-LJQANCHMSA-N 2 0 368.522 0.355 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@H]21 ZINC000516651071 490872763 /nfs/dbraw/zinc/87/27/63/490872763.db2.gz OFYZUXPWCLKAFZ-KZNAEPCWSA-N 2 0 362.518 0.907 20 0 FCADRP CN1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000557199034 491359316 /nfs/dbraw/zinc/35/93/16/491359316.db2.gz KXKZRUWNESFAJE-INIZCTEOSA-N 2 0 364.494 0.196 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000516914796 490884280 /nfs/dbraw/zinc/88/42/80/490884280.db2.gz KWJDISBFRCQEOC-IBGZPJMESA-N 2 0 358.442 0.661 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000542196595 490888906 /nfs/dbraw/zinc/88/89/06/490888906.db2.gz MWXYBBBFKOZVLU-BHIYHBOVSA-N 2 0 361.486 0.706 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241536 490895329 /nfs/dbraw/zinc/89/53/29/490895329.db2.gz QQOVSBDFSRUPCJ-DJIMGWMZSA-N 2 0 366.506 0.189 20 0 FCADRP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000517215754 490899442 /nfs/dbraw/zinc/89/94/42/490899442.db2.gz NRFANTMXPOHJCR-UHFFFAOYSA-N 2 0 374.485 0.262 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000517263696 490902456 /nfs/dbraw/zinc/90/24/56/490902456.db2.gz VPHULTBBNLEQTD-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000530429598 490905395 /nfs/dbraw/zinc/90/53/95/490905395.db2.gz JQWVPSCZUGVOAV-CVEARBPZSA-N 2 0 369.535 0.967 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000542777821 490908854 /nfs/dbraw/zinc/90/88/54/490908854.db2.gz CCWGOKQUBDSPMG-WBVHZDCISA-N 2 0 365.522 0.665 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000517577857 490913039 /nfs/dbraw/zinc/91/30/39/490913039.db2.gz BKGBIHKCONQSTI-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000517746978 490919054 /nfs/dbraw/zinc/91/90/54/490919054.db2.gz IYYCULGKNZTGCR-MJGOQNOKSA-N 3 0 352.523 0.804 20 0 FCADRP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062792 490939475 /nfs/dbraw/zinc/93/94/75/490939475.db2.gz GTKTXEGBFROQIG-WIYYLYMNSA-N 2 0 374.529 0.623 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[N@H+](C)CCOC)C2)CC1 ZINC000518522951 490944266 /nfs/dbraw/zinc/94/42/66/490944266.db2.gz WFBMCWHCCBPVBL-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244187 490947433 /nfs/dbraw/zinc/94/74/33/490947433.db2.gz BGZWVKNHXIVANX-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+]1CCN(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000531281584 490950122 /nfs/dbraw/zinc/95/01/22/490950122.db2.gz PBBANDNOOJGSAR-UHFFFAOYSA-N 2 0 360.506 0.800 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2nccn2Cc2ccccc2)CC1 ZINC000518757964 490950184 /nfs/dbraw/zinc/95/01/84/490950184.db2.gz PSJLPGYJRNNHRA-LJQANCHMSA-N 2 0 357.502 0.672 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000531357608 490953380 /nfs/dbraw/zinc/95/33/80/490953380.db2.gz IGZAPSWWAWUALQ-UHFFFAOYSA-N 2 0 359.474 0.692 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CCN3CCCS3(=O)=O)CC2)CC1 ZINC000544488068 490969680 /nfs/dbraw/zinc/96/96/80/490969680.db2.gz RVARHDGYEQEGMV-UHFFFAOYSA-N 2 0 358.552 0.371 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000531770668 490973108 /nfs/dbraw/zinc/97/31/08/490973108.db2.gz KGUCCXAVGUJWBB-ZWKOTPCHSA-N 3 0 369.554 0.499 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)CC1 ZINC000531838325 490976442 /nfs/dbraw/zinc/97/64/42/490976442.db2.gz XRYTUPIMJQWHRC-MSOLQXFVSA-N 2 0 366.554 0.042 20 0 FCADRP CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000544685791 490976634 /nfs/dbraw/zinc/97/66/34/490976634.db2.gz RJJKYTSNPGHNBM-HRCADAONSA-N 2 0 368.547 0.435 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000519567632 490977193 /nfs/dbraw/zinc/97/71/93/490977193.db2.gz MEQZICNPKFBIRX-VYDXJSESSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000519691293 490984254 /nfs/dbraw/zinc/98/42/54/490984254.db2.gz RWLPSFPXOGRLIR-YRGRVCCFSA-N 2 0 363.428 0.747 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2nnnn2c1 ZINC000532072852 490985690 /nfs/dbraw/zinc/98/56/90/490985690.db2.gz VUZCEKVPOCWVBX-UHFFFAOYSA-N 2 0 366.429 0.461 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000668348667 493335834 /nfs/dbraw/zinc/33/58/34/493335834.db2.gz ZHEPWBHUBIAVKW-KRWDZBQOSA-N 2 0 368.522 0.591 20 0 FCADRP CCc1nc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000554047615 491173555 /nfs/dbraw/zinc/17/35/55/491173555.db2.gz OUSLEKFUJOIHFW-ZDUSSCGKSA-N 2 0 369.535 0.835 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000660234503 493336072 /nfs/dbraw/zinc/33/60/72/493336072.db2.gz QURNALUNWSDNHA-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H]1c1ncc[nH]1 ZINC000562689609 491181080 /nfs/dbraw/zinc/18/10/80/491181080.db2.gz ARSDNJKBYHJCDW-CQSZACIVSA-N 2 0 350.467 0.025 20 0 FCADRP CN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000562692480 491181801 /nfs/dbraw/zinc/18/18/01/491181801.db2.gz UWRUQNCYQSRHKC-UHFFFAOYSA-N 2 0 370.444 0.875 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCCC1 ZINC000569697884 491182501 /nfs/dbraw/zinc/18/25/01/491182501.db2.gz KUKYVESUJQSIRA-OAHLLOKOSA-N 2 0 351.495 0.501 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000557339099 491368806 /nfs/dbraw/zinc/36/88/06/491368806.db2.gz IBOCJAVYXJTNCV-NVXWUHKLSA-N 2 0 352.479 0.973 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000572501059 491374277 /nfs/dbraw/zinc/37/42/77/491374277.db2.gz AVJMRXHOFCRXBO-OAHLLOKOSA-N 2 0 352.866 0.927 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000572501058 491374328 /nfs/dbraw/zinc/37/43/28/491374328.db2.gz AVJMRXHOFCRXBO-HNNXBMFYSA-N 2 0 352.866 0.927 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000557500932 491379153 /nfs/dbraw/zinc/37/91/53/491379153.db2.gz OOLUEWOLTVLJSS-SJORKVTESA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561016 491382977 /nfs/dbraw/zinc/38/29/77/491382977.db2.gz DNQPPJJBSLNGMW-ZBFHGGJFSA-N 2 0 354.495 0.155 20 0 FCADRP COc1cnc(NCC2CC[NH+](C)CC2)nc1NCC1CC[NH+](C)CC1 ZINC000557569501 491383757 /nfs/dbraw/zinc/38/37/57/491383757.db2.gz GGKCOTVPWJDSER-UHFFFAOYSA-N 2 0 362.522 0.836 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000673512508 493338560 /nfs/dbraw/zinc/33/85/60/493338560.db2.gz CVCOYKQPZCGXEB-ADHGMGHFSA-N 2 0 353.507 0.788 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000565672248 491392832 /nfs/dbraw/zinc/39/28/32/491392832.db2.gz ZFMXLGNALQBTAK-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCCCC2)C1 ZINC000565702970 491394400 /nfs/dbraw/zinc/39/44/00/491394400.db2.gz COULNVCQCIZLEE-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884341 491399715 /nfs/dbraw/zinc/39/97/15/491399715.db2.gz ARNKFHFNJHJBAR-JHJVBQTASA-N 2 0 364.412 0.715 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884344 491399972 /nfs/dbraw/zinc/39/99/72/491399972.db2.gz ARNKFHFNJHJBAR-YNEHKIRRSA-N 2 0 364.412 0.715 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572905890 491401013 /nfs/dbraw/zinc/40/10/13/491401013.db2.gz IRMVECHASKMSKB-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nn(C)c2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc12 ZINC000565866618 491404213 /nfs/dbraw/zinc/40/42/13/491404213.db2.gz XCOVVFMEVYOZIL-UHFFFAOYSA-N 2 0 374.489 0.772 20 0 FCADRP CN1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000572975357 491404900 /nfs/dbraw/zinc/40/49/00/491404900.db2.gz FUGFLDINNLMGCT-QGZVFWFLSA-N 2 0 363.506 0.801 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000565881373 491405148 /nfs/dbraw/zinc/40/51/48/491405148.db2.gz JLWWDQGSMAZBRP-UHFFFAOYSA-N 2 0 369.579 0.943 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000565904041 491406203 /nfs/dbraw/zinc/40/62/03/491406203.db2.gz BEUKKQZCJGJVAU-DOTOQJQBSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000565904053 491406242 /nfs/dbraw/zinc/40/62/42/491406242.db2.gz BEUKKQZCJGJVAU-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000573022996 491407802 /nfs/dbraw/zinc/40/78/02/491407802.db2.gz MOMSEZDDIMRNMM-QZTJIDSGSA-N 2 0 373.501 0.982 20 0 FCADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)ccn1 ZINC000573091191 491412131 /nfs/dbraw/zinc/41/21/31/491412131.db2.gz XSMPVGAAQWKYOP-UHFFFAOYSA-N 2 0 361.446 0.632 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573132127 491414868 /nfs/dbraw/zinc/41/48/68/491414868.db2.gz JHCKLDIBWYBRIU-DLBZAZTESA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1F ZINC000573187665 491417664 /nfs/dbraw/zinc/41/76/64/491417664.db2.gz BMNXCRBWUYESOV-ZDUSSCGKSA-N 2 0 366.437 0.902 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000573192405 491417889 /nfs/dbraw/zinc/41/78/89/491417889.db2.gz NLOMSROXHKHWKE-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000566179276 491423385 /nfs/dbraw/zinc/42/33/85/491423385.db2.gz BOXNFTUBQRGAJK-MRXNPFEDSA-N 2 0 366.506 0.396 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](C)CC1 ZINC000566181301 491423736 /nfs/dbraw/zinc/42/37/36/491423736.db2.gz RMGCAFJLWWBTSS-RDJZCZTQSA-N 2 0 363.510 0.032 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321424 491426073 /nfs/dbraw/zinc/42/60/73/491426073.db2.gz UVNVJLVIKCZFKV-QUCCMNQESA-N 2 0 361.486 0.586 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346211 491428219 /nfs/dbraw/zinc/42/82/19/491428219.db2.gz BBKPWGVGOJFJJQ-UONOGXRCSA-N 2 0 365.444 0.948 20 0 FCADRP CC(C)Nc1nc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000558609015 491438319 /nfs/dbraw/zinc/43/83/19/491438319.db2.gz DVJXVFZJZIUBLC-GOEBONIOSA-N 2 0 373.505 0.465 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000558616083 491438715 /nfs/dbraw/zinc/43/87/15/491438715.db2.gz WEOPFHYJVHWXHZ-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+](C)C[C@H]1CCN(c2cc(N3CC[C@H](C[NH+](C)C)C3)n3ncnc3n2)C1 ZINC000558939144 491449202 /nfs/dbraw/zinc/44/92/02/491449202.db2.gz UEVLBCHMQOSJBE-HZPDHXFCSA-N 2 0 372.521 0.900 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508779 491449950 /nfs/dbraw/zinc/44/99/50/491449950.db2.gz ZCXDWKPLRVINEC-IXDOHACOSA-N 2 0 357.458 0.214 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566575713 491454467 /nfs/dbraw/zinc/45/44/67/491454467.db2.gz FRTRYZGBJPOJIR-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CCS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566674208 491459719 /nfs/dbraw/zinc/45/97/19/491459719.db2.gz URYFEJNXBVVEIF-INIZCTEOSA-N 2 0 355.504 0.178 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573917554 491462530 /nfs/dbraw/zinc/46/25/30/491462530.db2.gz XSHBICQIBAZUMT-KRWDZBQOSA-N 2 0 359.474 0.554 20 0 FCADRP COc1ccc(OC)c(CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000573942296 491464231 /nfs/dbraw/zinc/46/42/31/491464231.db2.gz RKKJYGXTOCXAGW-HNNXBMFYSA-N 2 0 350.463 0.921 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573942103 491464450 /nfs/dbraw/zinc/46/44/50/491464450.db2.gz BNAVAEMJUYWPHO-KBPBESRZSA-N 2 0 365.444 0.804 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000559405674 491470412 /nfs/dbraw/zinc/47/04/12/491470412.db2.gz OPMUMZKEOZMLAC-KBAYOESNSA-N 2 0 358.486 0.976 20 0 FCADRP CCC(CC)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574035836 491470572 /nfs/dbraw/zinc/47/05/72/491470572.db2.gz CBVWBWVSHSUPEN-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911780 491474809 /nfs/dbraw/zinc/47/48/09/491474809.db2.gz MXOOUNIQEKIFPA-RXVVDRJESA-N 2 0 372.513 0.977 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000559590614 491483638 /nfs/dbraw/zinc/48/36/38/491483638.db2.gz RYZZHIKNILXHGK-UHFFFAOYSA-N 2 0 366.506 0.299 20 0 FCADRP Cn1cncc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000567092451 491485215 /nfs/dbraw/zinc/48/52/15/491485215.db2.gz IUCZCCKIYCAXQV-UHFFFAOYSA-N 2 0 357.462 0.827 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000574386429 491492561 /nfs/dbraw/zinc/49/25/61/491492561.db2.gz WEDYJXFZGXGEEN-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@H]2C1 ZINC000567303120 491498331 /nfs/dbraw/zinc/49/83/31/491498331.db2.gz IOHCFKHEPBADDI-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CC[NH2+]CC1 ZINC000567344671 491500788 /nfs/dbraw/zinc/50/07/88/491500788.db2.gz WCTOVVKUFHCNMH-WIYYLYMNSA-N 2 0 370.497 0.837 20 0 FCADRP C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000567383723 491503130 /nfs/dbraw/zinc/50/31/30/491503130.db2.gz WOOVMWBZRSEATC-HUUCEWRRSA-N 2 0 352.479 0.004 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000574545915 491504100 /nfs/dbraw/zinc/50/41/00/491504100.db2.gz IDKPZWICEPKYKV-MRXNPFEDSA-N 2 0 353.511 0.474 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000574549430 491504492 /nfs/dbraw/zinc/50/44/92/491504492.db2.gz TZUSQAQERSPXNG-OALUTQOASA-N 2 0 372.513 0.865 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559864302 491506107 /nfs/dbraw/zinc/50/61/07/491506107.db2.gz HVPGKAYGXVDEID-VKJFTORMSA-N 2 0 368.547 0.625 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCSC1 ZINC000559868513 491506571 /nfs/dbraw/zinc/50/65/71/491506571.db2.gz ZBCIESFGXOJCIY-SFHVURJKSA-N 2 0 368.547 0.627 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567470098 491507781 /nfs/dbraw/zinc/50/77/81/491507781.db2.gz NTAKFEXWOIWPNB-OWCLPIDISA-N 2 0 365.522 0.757 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000574635470 491509838 /nfs/dbraw/zinc/50/98/38/491509838.db2.gz NJAOIOOADCCQEO-LSDHHAIUSA-N 2 0 352.866 0.927 20 0 FCADRP COC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496288 491509841 /nfs/dbraw/zinc/50/98/41/491509841.db2.gz VAXMFPCUGPYXJD-UZLBHIALSA-N 2 0 374.485 0.949 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529277 491512194 /nfs/dbraw/zinc/51/21/94/491512194.db2.gz LXHLNYATNWMCSX-QAPCUYQASA-N 2 0 370.563 0.778 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C[NH+](C)C ZINC000559973196 491512879 /nfs/dbraw/zinc/51/28/79/491512879.db2.gz MNNHCHABGQXFIJ-AWEZNQCLSA-N 2 0 350.463 0.879 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560027859 491516686 /nfs/dbraw/zinc/51/66/86/491516686.db2.gz MOJZQRSGUUKVGD-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C2)C1 ZINC000560150985 491521315 /nfs/dbraw/zinc/52/13/15/491521315.db2.gz DMYMPWIPKVCCFM-IBGZPJMESA-N 2 0 374.489 0.643 20 0 FCADRP C[C@@]1(n2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CCS(=O)(=O)C1 ZINC000574917006 491527690 /nfs/dbraw/zinc/52/76/90/491527690.db2.gz PBOZLPCTPSVDEU-IXDOHACOSA-N 2 0 352.504 0.848 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583404 493348564 /nfs/dbraw/zinc/34/85/64/493348564.db2.gz LDVDVPTZSDSFGR-IRXDYDNUSA-N 2 0 368.522 0.329 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000567821255 491532001 /nfs/dbraw/zinc/53/20/01/491532001.db2.gz XPUKEBNBMWBKAO-UHFFFAOYSA-N 2 0 363.506 0.335 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000575163835 491542700 /nfs/dbraw/zinc/54/27/00/491542700.db2.gz YSVQTFYSGPSXML-DLBZAZTESA-N 2 0 366.506 0.300 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656022 491549903 /nfs/dbraw/zinc/54/99/03/491549903.db2.gz VTQIOAKPZSUPLW-INIZCTEOSA-N 2 0 362.449 0.727 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC(C)CC1 ZINC000560763095 491555533 /nfs/dbraw/zinc/55/55/33/491555533.db2.gz LOESDANNJKWLQI-HOTGVXAUSA-N 2 0 350.507 0.990 20 0 FCADRP Cc1ccc(NC(=O)CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748707 491558273 /nfs/dbraw/zinc/55/82/73/491558273.db2.gz UADBVRCQBFJIBP-STQMWFEESA-N 2 0 354.476 0.640 20 0 FCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)NC2C[NH2+]C2)ccc1OC ZINC000575775717 491560309 /nfs/dbraw/zinc/56/03/09/491560309.db2.gz GYZLSVSAYINIST-UHFFFAOYSA-N 2 0 364.446 0.442 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000575898677 491568930 /nfs/dbraw/zinc/56/89/30/491568930.db2.gz YFBMXCLGVFHMTQ-MSOLQXFVSA-N 2 0 362.474 0.565 20 0 FCADRP CCOC1CC(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])(N2CCOCC2)C1 ZINC000575916708 491569602 /nfs/dbraw/zinc/56/96/02/491569602.db2.gz ZQXINOMBIDYCIT-GARNVTTQSA-N 2 0 354.495 0.825 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000568374930 491572635 /nfs/dbraw/zinc/57/26/35/491572635.db2.gz KPVHLIUVPIOZBT-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000576036479 491577514 /nfs/dbraw/zinc/57/75/14/491577514.db2.gz SLTDZXYKUFZDIT-QGZVFWFLSA-N 2 0 366.506 0.348 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561148420 491578626 /nfs/dbraw/zinc/57/86/26/491578626.db2.gz YTJBQJJMAKPMPQ-MOPGFXCFSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000568490615 491580054 /nfs/dbraw/zinc/58/00/54/491580054.db2.gz IVXZAUQPJDNRAY-MRXNPFEDSA-N 2 0 361.490 0.628 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000576146375 491586572 /nfs/dbraw/zinc/58/65/72/491586572.db2.gz VKXSBOYNIWJNHY-CKEIUWERSA-N 2 0 350.507 0.774 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000576210456 491592639 /nfs/dbraw/zinc/59/26/39/491592639.db2.gz OMKOQISWUFSECI-UHFFFAOYSA-N 2 0 368.522 0.639 20 0 FCADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561285510 491594492 /nfs/dbraw/zinc/59/44/92/491594492.db2.gz XXGSHYOXGWWDPC-NVXWUHKLSA-N 2 0 359.474 0.380 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568737318 491604723 /nfs/dbraw/zinc/60/47/23/491604723.db2.gz JVXPWISBGDLRRC-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)CCC[NH3+])c2)CC1 ZINC000576371718 491609069 /nfs/dbraw/zinc/60/90/69/491609069.db2.gz PRDVMOPIMYFYAY-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1 ZINC000568841792 491612706 /nfs/dbraw/zinc/61/27/06/491612706.db2.gz SGDRWUZIDRMAQD-WNRNVDISSA-N 2 0 353.507 0.552 20 0 FCADRP CC(=O)Nc1ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000561504136 491613216 /nfs/dbraw/zinc/61/32/16/491613216.db2.gz AQRPSRFLABKAFQ-UHFFFAOYSA-N 2 0 363.509 0.215 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577396013 491618662 /nfs/dbraw/zinc/61/86/62/491618662.db2.gz YBAPRBVSVILVAE-QAETUUGQSA-N 2 0 363.506 0.367 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000576545852 491624455 /nfs/dbraw/zinc/62/44/55/491624455.db2.gz BMRBRVPOTUAMLA-IAGOWNOFSA-N 2 0 368.522 0.281 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000576545848 491624543 /nfs/dbraw/zinc/62/45/43/491624543.db2.gz BMRBRVPOTUAMLA-DLBZAZTESA-N 2 0 368.522 0.281 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000561721459 491627380 /nfs/dbraw/zinc/62/73/80/491627380.db2.gz CVOLQOXEEZVPMM-KRWDZBQOSA-N 2 0 353.507 0.916 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000561743244 491628704 /nfs/dbraw/zinc/62/87/04/491628704.db2.gz MEJNXULIYKEMGI-IRXDYDNUSA-N 2 0 368.522 0.327 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000577540768 491631466 /nfs/dbraw/zinc/63/14/66/491631466.db2.gz NZBBQDVEHJUOBO-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000576654473 491633363 /nfs/dbraw/zinc/63/33/63/491633363.db2.gz NPWXRPJRDBTDON-KURKYZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000577608639 491635605 /nfs/dbraw/zinc/63/56/05/491635605.db2.gz QHVZNVNEMATGMY-KBPBESRZSA-N 2 0 367.519 0.006 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc2ccccc2c1 ZINC000569121094 491635700 /nfs/dbraw/zinc/63/57/00/491635700.db2.gz BWKDTRCMSQKNKL-KSZLIROESA-N 2 0 367.453 0.793 20 0 FCADRP C[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000576716005 491638461 /nfs/dbraw/zinc/63/84/61/491638461.db2.gz OARUPOQMDKMQRB-UHFFFAOYSA-N 2 0 368.522 0.233 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000569251164 491646586 /nfs/dbraw/zinc/64/65/86/491646586.db2.gz JPCGDCXKOSKXMA-GOEBONIOSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000577740744 491647927 /nfs/dbraw/zinc/64/79/27/491647927.db2.gz QIOZZMDEGFMDRB-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000562012375 491648004 /nfs/dbraw/zinc/64/80/04/491648004.db2.gz USFBSCAJBSHLHN-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1[NH+](C)C ZINC000577795961 491653422 /nfs/dbraw/zinc/65/34/22/491653422.db2.gz BESWGJNKDZNLAS-DYVFJYSZSA-N 2 0 364.465 0.912 20 0 FCADRP O=C(NCc1cccc(-n2ccnc2)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000562156076 491656181 /nfs/dbraw/zinc/65/61/81/491656181.db2.gz HLIQNAZXYBMYFZ-QGZVFWFLSA-N 2 0 353.426 0.795 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000577999458 491667140 /nfs/dbraw/zinc/66/71/40/491667140.db2.gz BKFSQSWGPHTBIC-CABCVRRESA-N 2 0 352.866 0.927 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000578340912 491675143 /nfs/dbraw/zinc/67/51/43/491675143.db2.gz NBQHIVNKHYYAEG-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610394 491680757 /nfs/dbraw/zinc/68/07/57/491680757.db2.gz PFKCHLUHHYNIKD-UUAJXVIYSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000578745402 491683407 /nfs/dbraw/zinc/68/34/07/491683407.db2.gz RZPZTIYCQWZCKE-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000578862625 491685904 /nfs/dbraw/zinc/68/59/04/491685904.db2.gz MQDDPSMZRUBFLW-MRXNPFEDSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000579012660 491689183 /nfs/dbraw/zinc/68/91/83/491689183.db2.gz BOIBGTDXKMSIGG-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000579138010 491691850 /nfs/dbraw/zinc/69/18/50/491691850.db2.gz LKPLIZRRWLKVAV-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CCN1C ZINC000579148667 491692100 /nfs/dbraw/zinc/69/21/00/491692100.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 0 372.513 0.960 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000579226344 491693501 /nfs/dbraw/zinc/69/35/01/491693501.db2.gz FSBXPFHEPWVJDH-SFHVURJKSA-N 2 0 374.485 0.128 20 0 FCADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000579259590 491694300 /nfs/dbraw/zinc/69/43/00/491694300.db2.gz XLLYKTJBVPQCHA-AEFFLSMTSA-N 2 0 374.485 0.791 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccco1 ZINC000579333620 491695571 /nfs/dbraw/zinc/69/55/71/491695571.db2.gz QSUTZTCUYYQSBQ-HUUCEWRRSA-N 2 0 350.463 0.976 20 0 FCADRP CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000579391862 491697192 /nfs/dbraw/zinc/69/71/92/491697192.db2.gz IDPSKMJEBMDFLJ-HUUCEWRRSA-N 2 0 358.552 0.729 20 0 FCADRP COc1cc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC000579456351 491698086 /nfs/dbraw/zinc/69/80/86/491698086.db2.gz MWOCYWPWBCKQRK-UXLLHSPISA-N 2 0 368.474 0.626 20 0 FCADRP CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822370 491705943 /nfs/dbraw/zinc/70/59/43/491705943.db2.gz BMOMZYBHRAFHJS-YLJYHZDGSA-N 2 0 358.486 0.996 20 0 FCADRP Cc1cc(Cn2nnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2C)no1 ZINC000584795927 491714783 /nfs/dbraw/zinc/71/47/83/491714783.db2.gz OQRFBMAZOAWQTO-UHFFFAOYSA-N 2 0 363.466 0.497 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580073713 491716256 /nfs/dbraw/zinc/71/62/56/491716256.db2.gz PSWQPNYEYYPDKC-LSDHHAIUSA-N 2 0 355.508 0.434 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000580075078 491716336 /nfs/dbraw/zinc/71/63/36/491716336.db2.gz UEEYQWWQRYDRRN-UONOGXRCSA-N 2 0 350.463 0.485 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000580125768 491718778 /nfs/dbraw/zinc/71/87/78/491718778.db2.gz ZUYDABXLIXAAFL-QGPMSJSTSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580294073 491724544 /nfs/dbraw/zinc/72/45/44/491724544.db2.gz QXNLZKFAVCAKRH-YVSFHVDLSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580294072 491724650 /nfs/dbraw/zinc/72/46/50/491724650.db2.gz QXNLZKFAVCAKRH-VVLHAWIVSA-N 2 0 362.518 0.824 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000580327486 491726291 /nfs/dbraw/zinc/72/62/91/491726291.db2.gz OCUGMYQRHUOPHO-IRXDYDNUSA-N 2 0 351.447 0.431 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000580584066 491737183 /nfs/dbraw/zinc/73/71/83/491737183.db2.gz QBAILONSKZTIPL-KRWDZBQOSA-N 2 0 352.523 0.929 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000580777114 491745356 /nfs/dbraw/zinc/74/53/56/491745356.db2.gz JILWUQIXSQVRTG-OALUTQOASA-N 2 0 360.502 0.157 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000580963943 491753756 /nfs/dbraw/zinc/75/37/56/491753756.db2.gz HFTQJIAMEHXXTF-SOUVJXGZSA-N 2 0 363.462 0.616 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)cc2)CC1 ZINC000581081103 491758925 /nfs/dbraw/zinc/75/89/25/491758925.db2.gz CSFJVPXMBWVOOE-NRFANRHFSA-N 2 0 372.513 0.621 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581597036 491779330 /nfs/dbraw/zinc/77/93/30/491779330.db2.gz XXJOBFVKMYIYMY-KRWDZBQOSA-N 2 0 359.474 0.382 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590566172 491779431 /nfs/dbraw/zinc/77/94/31/491779431.db2.gz FWDPCQINWQHXGT-KLHDSHLOSA-N 2 0 370.563 0.822 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000581839540 491787089 /nfs/dbraw/zinc/78/70/89/491787089.db2.gz LSOGUPFFAUHFSY-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000582290430 491805921 /nfs/dbraw/zinc/80/59/21/491805921.db2.gz QLLHXCSJAQJWFK-UHFFFAOYSA-N 2 0 365.522 0.906 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000582414631 491811394 /nfs/dbraw/zinc/81/13/94/491811394.db2.gz QRRXXLZTFOWGDN-OALUTQOASA-N 2 0 370.497 0.789 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000582542433 491816868 /nfs/dbraw/zinc/81/68/68/491816868.db2.gz WPBVDMRANBWQQK-GJZGRUSLSA-N 2 0 366.893 0.643 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@H]21 ZINC000582846037 491829109 /nfs/dbraw/zinc/82/91/09/491829109.db2.gz UVSIKWDPIOPUPP-GVDBMIGSSA-N 2 0 350.507 0.955 20 0 FCADRP Cc1ccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000583302206 491841930 /nfs/dbraw/zinc/84/19/30/491841930.db2.gz IELBZONLEDMOES-MRXNPFEDSA-N 2 0 359.474 0.957 20 0 FCADRP COCC(C)(C)[NH+]1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000583436195 491844805 /nfs/dbraw/zinc/84/48/05/491844805.db2.gz VNMJFQFSDLRGRH-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)CN)C1 ZINC000583576553 491847910 /nfs/dbraw/zinc/84/79/10/491847910.db2.gz UUXVLVIWUSJUKS-HNNXBMFYSA-N 2 0 368.428 0.472 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000583806718 491852407 /nfs/dbraw/zinc/85/24/07/491852407.db2.gz VEQIFZZNLVEIBW-KSZLIROESA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000584110098 491858669 /nfs/dbraw/zinc/85/86/69/491858669.db2.gz PLVSNTUPTPHJJQ-HUUCEWRRSA-N 2 0 350.467 0.117 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1[NH3+] ZINC000584226607 491860962 /nfs/dbraw/zinc/86/09/62/491860962.db2.gz CHUWXHHXDCDIIL-LEUOFYLZSA-N 2 0 356.470 0.525 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000611638916 491864546 /nfs/dbraw/zinc/86/45/46/491864546.db2.gz YFIPZKHAVFJDQL-WMLDXEAASA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611638348 491864615 /nfs/dbraw/zinc/86/46/15/491864615.db2.gz SKRCDUDSNNNULR-FRFSOERESA-N 2 0 364.490 0.097 20 0 FCADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310774 491916417 /nfs/dbraw/zinc/91/64/17/491916417.db2.gz FKIBARZMWWSKIP-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP CN1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000612463966 491921008 /nfs/dbraw/zinc/92/10/08/491921008.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 0 350.385 0.338 20 0 FCADRP CC[C@H](C(=O)NC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(F)(F)F)[NH+](C)C ZINC000612464704 491921685 /nfs/dbraw/zinc/92/16/85/491921685.db2.gz MYXVMQCAOYVENM-UTUOFQBUSA-N 2 0 354.417 0.830 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542469 491930430 /nfs/dbraw/zinc/93/04/30/491930430.db2.gz IVCDHYDCBXZTOR-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000612591248 491935662 /nfs/dbraw/zinc/93/56/62/491935662.db2.gz INCMNVNNYUNNBY-DLBZAZTESA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612597199 491937408 /nfs/dbraw/zinc/93/74/08/491937408.db2.gz CJGRNRVEMQLPIK-MRXNPFEDSA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612598763 491938064 /nfs/dbraw/zinc/93/80/64/491938064.db2.gz IYOOSHXBEFOMOT-IRXDYDNUSA-N 2 0 366.506 0.345 20 0 FCADRP [NH3+][C@@H](CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612914482 491958455 /nfs/dbraw/zinc/95/84/55/491958455.db2.gz FDKROKQFGWSDBV-CABCVRRESA-N 2 0 361.494 0.446 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969773 491960311 /nfs/dbraw/zinc/96/03/11/491960311.db2.gz GEXGFUXHDNWZIU-OAHLLOKOSA-N 2 0 351.495 0.370 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974021 491960697 /nfs/dbraw/zinc/96/06/97/491960697.db2.gz NNLBASVWTANSOS-HUUCEWRRSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000602125565 491962023 /nfs/dbraw/zinc/96/20/23/491962023.db2.gz ZCBZHQIWXITCGS-SQNIBIBYSA-N 2 0 350.507 0.477 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957000 491965222 /nfs/dbraw/zinc/96/52/22/491965222.db2.gz SIZFXFLDQGVVPQ-HNNXBMFYSA-N 2 0 365.396 0.920 20 0 FCADRP C[NH+](C)C1(C(=O)NCC2CCC(NC(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC000613168826 491970761 /nfs/dbraw/zinc/97/07/61/491970761.db2.gz WMUJADRBNBGDKM-UHFFFAOYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)c1cc(C(=O)NC[C@@H](C)C[NH+](C)C)[nH]n1)C[NH+](C)C ZINC000615178494 492077018 /nfs/dbraw/zinc/07/70/18/492077018.db2.gz VLIQAOVNGMGDDV-CHWSQXEVSA-N 2 0 352.483 0.265 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)O1)C[NH+](C)C ZINC000615176814 492077043 /nfs/dbraw/zinc/07/70/43/492077043.db2.gz MHRZMRZXNHOMEN-YHUYYLMFSA-N 2 0 356.511 0.162 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)CC1=O ZINC000615311478 492085796 /nfs/dbraw/zinc/08/57/96/492085796.db2.gz ZWRSHVBFILTXAD-HZMVEIRTSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCOCC1 ZINC000605875129 492104144 /nfs/dbraw/zinc/10/41/44/492104144.db2.gz AELJTCGAKMEHPK-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000605876144 492104476 /nfs/dbraw/zinc/10/44/76/492104476.db2.gz DGAAQCWQJVQTCK-QGZVFWFLSA-N 2 0 363.506 0.420 20 0 FCADRP COC(=O)Cc1csc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000609135025 492198409 /nfs/dbraw/zinc/19/84/09/492198409.db2.gz SEDAGDYKPWEUMX-UHFFFAOYSA-N 2 0 357.480 0.816 20 0 FCADRP CC[NH+](CC)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641734716 492301025 /nfs/dbraw/zinc/30/10/25/492301025.db2.gz VQMSORBWCBIOCX-QGZVFWFLSA-N 2 0 355.527 0.424 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000627472539 492310328 /nfs/dbraw/zinc/31/03/28/492310328.db2.gz SFABRFALCTUKRS-IRXDYDNUSA-N 2 0 366.506 0.206 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627472739 492310373 /nfs/dbraw/zinc/31/03/73/492310373.db2.gz XJIINRVVEXKDRF-DLBZAZTESA-N 2 0 366.506 0.062 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627475185 492312768 /nfs/dbraw/zinc/31/27/68/492312768.db2.gz HCXAOIGGEUTCPC-ROUUACIJSA-N 2 0 374.485 0.214 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@H+](C)C1 ZINC000647568840 492317349 /nfs/dbraw/zinc/31/73/49/492317349.db2.gz UXKDFQJJGZIHPN-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841140 492318037 /nfs/dbraw/zinc/31/80/37/492318037.db2.gz MFDYCGKNOLNEFP-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202161 492327771 /nfs/dbraw/zinc/32/77/71/492327771.db2.gz HIANDHOJNNOYAI-MSOLQXFVSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000647595269 492331505 /nfs/dbraw/zinc/33/15/05/492331505.db2.gz YYYACPOJVZCTIN-KGLIPLIRSA-N 2 0 356.536 0.706 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000647597155 492331750 /nfs/dbraw/zinc/33/17/50/492331750.db2.gz QFGXXTYQSKQCJJ-JKSUJKDBSA-N 2 0 367.538 0.105 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[NH+](C)C)c1 ZINC000642096121 492334332 /nfs/dbraw/zinc/33/43/32/492334332.db2.gz BWLAFYLKUDJTBM-QGTPRVQTSA-N 2 0 374.485 0.625 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642104451 492334715 /nfs/dbraw/zinc/33/47/15/492334715.db2.gz UNPXXTMSGFYWQM-BZSNNMDCSA-N 2 0 358.486 0.486 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000642100553 492335011 /nfs/dbraw/zinc/33/50/11/492335011.db2.gz YJYDAXGKVMAMRF-RYQLBKOJSA-N 2 0 374.485 0.514 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642189647 492339058 /nfs/dbraw/zinc/33/90/58/492339058.db2.gz DJETXGAIRLQFMA-ZWKOTPCHSA-N 2 0 374.485 0.128 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253891 492346009 /nfs/dbraw/zinc/34/60/09/492346009.db2.gz OXIHOEKIGVPHMD-WMZOPIPTSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1F ZINC000642265421 492346959 /nfs/dbraw/zinc/34/69/59/492346959.db2.gz MRYGQZLJEDNHGS-PBHICJAKSA-N 2 0 362.449 0.714 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642302691 492349466 /nfs/dbraw/zinc/34/94/66/492349466.db2.gz VDCNYJPTTJRASR-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642302682 492349815 /nfs/dbraw/zinc/34/98/15/492349815.db2.gz SPHYWFGFTWWHAW-DOTOQJQBSA-N 2 0 362.474 0.199 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000642318733 492350572 /nfs/dbraw/zinc/35/05/72/492350572.db2.gz PRSQMQRCZIBFIU-MAUKXSAKSA-N 2 0 374.485 0.473 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642330426 492351719 /nfs/dbraw/zinc/35/17/19/492351719.db2.gz HVRWYVPNQBLDIO-DNVCBOLYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642330388 492351988 /nfs/dbraw/zinc/35/19/88/492351988.db2.gz DAIVEZAVQHSNJQ-QRJUGERDSA-N 2 0 354.495 0.044 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642330443 492352306 /nfs/dbraw/zinc/35/23/06/492352306.db2.gz KIEYYADTZMATMP-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP COCC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634642096 492357517 /nfs/dbraw/zinc/35/75/17/492357517.db2.gz FAVSGAFPNIXUPJ-HXUWFJFHSA-N 2 0 361.486 0.850 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642640160 492368097 /nfs/dbraw/zinc/36/80/97/492368097.db2.gz BAQIUCNZFGJPIY-OAGGEKHMSA-N 2 0 354.495 0.045 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640688 492368186 /nfs/dbraw/zinc/36/81/86/492368186.db2.gz ISOVKRBOMSCCRY-FCGDIQPGSA-N 2 0 370.497 0.963 20 0 FCADRP O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640874 492369152 /nfs/dbraw/zinc/36/91/52/492369152.db2.gz HWZPKZGUVXSUTP-GBESFXJTSA-N 2 0 370.497 0.835 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc(C)n1 ZINC000635033072 492378246 /nfs/dbraw/zinc/37/82/46/492378246.db2.gz SUKDGCZJVWWEGJ-UHFFFAOYSA-N 2 0 364.494 0.764 20 0 FCADRP CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642723171 492379698 /nfs/dbraw/zinc/37/96/98/492379698.db2.gz SVXJDELJKCVMOA-UHFFFAOYSA-N 2 0 358.486 0.808 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000642732949 492382602 /nfs/dbraw/zinc/38/26/02/492382602.db2.gz JALBVMHTCVCRDY-ZWKOTPCHSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642732684 492383246 /nfs/dbraw/zinc/38/32/46/492383246.db2.gz OREGKWPICGQPHH-YYIAUSFCSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642750888 492384692 /nfs/dbraw/zinc/38/46/92/492384692.db2.gz PDFITYWDOBVPAJ-IKGGRYGDSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000642759502 492386645 /nfs/dbraw/zinc/38/66/45/492386645.db2.gz DGOLYHNYYWYVIO-LAQRGFTBSA-N 2 0 374.485 0.198 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977327 492390734 /nfs/dbraw/zinc/39/07/34/492390734.db2.gz AAABHPVMUQXVSN-GJZGRUSLSA-N 2 0 355.508 0.410 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642787236 492391534 /nfs/dbraw/zinc/39/15/34/492391534.db2.gz YNOJHJYCPJBMAW-FUHWJXTLSA-N 2 0 371.485 0.625 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000642808935 492396694 /nfs/dbraw/zinc/39/66/94/492396694.db2.gz KKLXLNSGXNBRHR-NVXWUHKLSA-N 2 0 364.465 0.960 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000642906575 492401110 /nfs/dbraw/zinc/40/11/10/492401110.db2.gz SSOOOPLOHRDSEH-AQFXKWCLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919825 492403591 /nfs/dbraw/zinc/40/35/91/492403591.db2.gz IXKNNSDOBCESNT-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958474 492406532 /nfs/dbraw/zinc/40/65/32/492406532.db2.gz AJJZJGUHOZZFOA-ZBFHGGJFSA-N 2 0 366.506 0.693 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000642960645 492407533 /nfs/dbraw/zinc/40/75/33/492407533.db2.gz QIEYGPMMMUBQJM-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979758 492409298 /nfs/dbraw/zinc/40/92/98/492409298.db2.gz KGXZEHQSXGXOQM-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982002 492410317 /nfs/dbraw/zinc/41/03/17/492410317.db2.gz NKBKWTWQFBSIOA-AWEZNQCLSA-N 2 0 352.504 0.897 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642988411 492411694 /nfs/dbraw/zinc/41/16/94/492411694.db2.gz WINUTCNHSBKQOZ-NVXWUHKLSA-N 2 0 367.538 0.247 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643014623 492414304 /nfs/dbraw/zinc/41/43/04/492414304.db2.gz LYVIAZQJGFFECB-OWCLPIDISA-N 2 0 357.458 0.235 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1cccs1 ZINC000621837271 492420533 /nfs/dbraw/zinc/42/05/33/492420533.db2.gz DBNULDKRIARWEV-AHIWAGSCSA-N 2 0 350.488 0.807 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)[NH+](C)C)c1 ZINC000621837864 492421144 /nfs/dbraw/zinc/42/11/44/492421144.db2.gz SATHQXASWCMNQM-OXFYSEKESA-N 2 0 374.485 0.754 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621837875 492421197 /nfs/dbraw/zinc/42/11/97/492421197.db2.gz SLMVUBPBQXLZRN-HLIPFELVSA-N 2 0 356.470 0.717 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838220 492421593 /nfs/dbraw/zinc/42/15/93/492421593.db2.gz ABEXMXMCBPGSPU-XLIONFOSSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1coc(CC(=O)NC[C@H](C)[NH+](C)C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000635255276 492423578 /nfs/dbraw/zinc/42/35/78/492423578.db2.gz PIHDRXPENVAZPY-KBPBESRZSA-N 2 0 352.479 0.877 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621846058 492425988 /nfs/dbraw/zinc/42/59/88/492425988.db2.gz VHRFYZNYHRDTGR-FXAWDEMLSA-N 2 0 358.486 0.747 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845809 492426100 /nfs/dbraw/zinc/42/61/00/492426100.db2.gz PTEOCZKXXRJLHT-HNAYVOBHSA-N 2 0 362.449 0.714 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccnn1CCc1ccccc1 ZINC000622011967 492439877 /nfs/dbraw/zinc/43/98/77/492439877.db2.gz NLSRZHWOJVFABF-UHFFFAOYSA-N 2 0 365.503 0.814 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622025385 492441818 /nfs/dbraw/zinc/44/18/18/492441818.db2.gz PODXABCMLYDJDK-VQIMIIECSA-N 2 0 350.507 0.907 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)c1 ZINC000622027834 492443440 /nfs/dbraw/zinc/44/34/40/492443440.db2.gz IHOUMLMLHVAFJA-IFXJQAMLSA-N 2 0 373.457 0.079 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000655467194 492444949 /nfs/dbraw/zinc/44/49/49/492444949.db2.gz KJFJPPHRDPBMEJ-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+](C)CC1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000635499988 492459534 /nfs/dbraw/zinc/45/95/34/492459534.db2.gz MQCJJOXJHWZWCP-UHFFFAOYSA-N 2 0 360.506 0.837 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000655596004 492461912 /nfs/dbraw/zinc/46/19/12/492461912.db2.gz WVRAJFMLXCDPNB-MRXNPFEDSA-N 2 0 353.511 0.762 20 0 FCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643453477 492466632 /nfs/dbraw/zinc/46/66/32/492466632.db2.gz FAAFPNOAQZQWGA-DOTOQJQBSA-N 2 0 354.520 0.112 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478095 /nfs/dbraw/zinc/47/80/95/492478095.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 2 0 352.523 0.807 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509735 492484389 /nfs/dbraw/zinc/48/43/89/492484389.db2.gz PHOPQVYHKJHSHO-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C[C@@H]1[NH3+] ZINC000643509828 492484470 /nfs/dbraw/zinc/48/44/70/492484470.db2.gz XTMWJLJXCBWYRC-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000643515279 492487082 /nfs/dbraw/zinc/48/70/82/492487082.db2.gz AYAOVAAPPMRXST-IRXDYDNUSA-N 2 0 366.506 0.143 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000643531879 492492500 /nfs/dbraw/zinc/49/25/00/492492500.db2.gz RFVJRLFMBOEXJA-FXAWDEMLSA-N 2 0 358.486 0.917 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635703454 492494288 /nfs/dbraw/zinc/49/42/88/492494288.db2.gz LFMQZFQWAWYSEK-MRXNPFEDSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000643540901 492494795 /nfs/dbraw/zinc/49/47/95/492494795.db2.gz PFYJTRGFERELRR-SOLBZPMBSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643567604 492499872 /nfs/dbraw/zinc/49/98/72/492499872.db2.gz XOJUIBXNLIDIDM-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000643585843 492500887 /nfs/dbraw/zinc/50/08/87/492500887.db2.gz XRGIRMXWMAWWJH-JFIYKMOQSA-N 2 0 358.486 0.928 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594270 492503804 /nfs/dbraw/zinc/50/38/04/492503804.db2.gz XLUWQXLQONKZFC-MLHJIOFPSA-N 2 0 362.518 0.920 20 0 FCADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000635780204 492504865 /nfs/dbraw/zinc/50/48/65/492504865.db2.gz UBTNHEINKJJJBC-QGZVFWFLSA-N 2 0 351.491 0.689 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635854303 492515320 /nfs/dbraw/zinc/51/53/20/492515320.db2.gz RVPVSQINLKHHQO-GASCZTMLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000649274333 492517865 /nfs/dbraw/zinc/51/78/65/492517865.db2.gz DMZFSCSNLTWTJZ-WBAXXEDZSA-N 2 0 357.458 0.376 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000649274330 492517950 /nfs/dbraw/zinc/51/79/50/492517950.db2.gz DMZFSCSNLTWTJZ-FHLIZLRMSA-N 2 0 357.458 0.376 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nn1 ZINC000649322368 492533562 /nfs/dbraw/zinc/53/35/62/492533562.db2.gz PKTVATXRPSBNQB-HLLBOEOZSA-N 2 0 362.478 0.067 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC[C@H]1[NH3+] ZINC000649358934 492547197 /nfs/dbraw/zinc/54/71/97/492547197.db2.gz JFDQBBCMBRENHW-WCXIOVBPSA-N 2 0 350.507 0.905 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354743 492547451 /nfs/dbraw/zinc/54/74/51/492547451.db2.gz IOUZZWZIPNHPFN-RDJZCZTQSA-N 2 0 371.485 0.999 20 0 FCADRP CC1([NH3+])CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000649416152 492553171 /nfs/dbraw/zinc/55/31/71/492553171.db2.gz TZNBZIQIBNBJLZ-UHFFFAOYSA-N 2 0 352.523 0.951 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000636289633 492576542 /nfs/dbraw/zinc/57/65/42/492576542.db2.gz XQRBOJOROJLBPW-DLBZAZTESA-N 2 0 351.491 0.953 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000636289637 492576844 /nfs/dbraw/zinc/57/68/44/492576844.db2.gz XQRBOJOROJLBPW-IRXDYDNUSA-N 2 0 351.491 0.953 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656304822 492579299 /nfs/dbraw/zinc/57/92/99/492579299.db2.gz ICBUIHUEHIDMTE-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728589 492587717 /nfs/dbraw/zinc/58/77/17/492587717.db2.gz RODPAWLAFOOMDI-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728588 492588599 /nfs/dbraw/zinc/58/85/99/492588599.db2.gz RODPAWLAFOOMDI-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000636464056 492593335 /nfs/dbraw/zinc/59/33/35/492593335.db2.gz RKUAOMHPAHOQBY-INIZCTEOSA-N 2 0 354.495 0.387 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000629418150 492624641 /nfs/dbraw/zinc/62/46/41/492624641.db2.gz MVAQWKBBDXEFHL-QGZVFWFLSA-N 2 0 350.507 0.480 20 0 FCADRP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629578817 492655712 /nfs/dbraw/zinc/65/57/12/492655712.db2.gz HEADNZZHMVIWMF-KBPBESRZSA-N 2 0 351.447 0.931 20 0 FCADRP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CCOCC[NH3+] ZINC000629580046 492656374 /nfs/dbraw/zinc/65/63/74/492656374.db2.gz SFUIUYWAVQAXED-GJZGRUSLSA-N 2 0 351.447 0.580 20 0 FCADRP O=C(NCc1cccc(CN2CCOCC2)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650698012 492662161 /nfs/dbraw/zinc/66/21/61/492662161.db2.gz NPXWMZDSIUUYQT-LJQANCHMSA-N 2 0 374.485 0.479 20 0 FCADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707092 492663474 /nfs/dbraw/zinc/66/34/74/492663474.db2.gz YICJULYDGDLHNG-IPMKNSEASA-N 2 0 374.533 0.947 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000629804922 492681258 /nfs/dbraw/zinc/68/12/58/492681258.db2.gz WHOJSDIVOXZBSQ-UHFFFAOYSA-N 2 0 370.538 0.779 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000651263755 492729912 /nfs/dbraw/zinc/72/99/12/492729912.db2.gz GSNSBWGNSXAAEI-UHFFFAOYSA-N 2 0 365.526 0.966 20 0 FCADRP CCN1C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317227 492741541 /nfs/dbraw/zinc/74/15/41/492741541.db2.gz GQEKPYFKOVXHMJ-IRXDYDNUSA-N 2 0 367.538 0.912 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439647 492757806 /nfs/dbraw/zinc/75/78/06/492757806.db2.gz RXYPCLOBHOYUCN-PKOBYXMFSA-N 2 0 370.538 0.976 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630889247 492781876 /nfs/dbraw/zinc/78/18/76/492781876.db2.gz KESGAUSOKABCDY-INIZCTEOSA-N 2 0 364.494 0.117 20 0 FCADRP Cc1cn2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2n1 ZINC000657839067 492801420 /nfs/dbraw/zinc/80/14/20/492801420.db2.gz KZBJNFBAVQCTIW-UHFFFAOYSA-N 2 0 360.462 0.533 20 0 FCADRP CCn1nncc1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000637298259 492807578 /nfs/dbraw/zinc/80/75/78/492807578.db2.gz IIZPLXCBTGQXTH-HNNXBMFYSA-N 2 0 351.499 0.856 20 0 FCADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637372661 492813215 /nfs/dbraw/zinc/81/32/15/492813215.db2.gz HAGCZOVKSDDAEJ-SFHVURJKSA-N 2 0 373.501 0.852 20 0 FCADRP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000637372354 492813565 /nfs/dbraw/zinc/81/35/65/492813565.db2.gz CCKGXXQRYBDAPX-QXULXFAOSA-N 2 0 351.495 0.593 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000637376185 492816212 /nfs/dbraw/zinc/81/62/12/492816212.db2.gz DXYJIXBRHMFGNS-HOTGVXAUSA-N 2 0 351.495 0.454 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000645008775 492838034 /nfs/dbraw/zinc/83/80/34/492838034.db2.gz XOEAWBLWQUEWQZ-OKZBNKHCSA-N 2 0 365.522 0.129 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000658118039 492840630 /nfs/dbraw/zinc/84/06/30/492840630.db2.gz BMVGRXNSIGNZKB-CQSZACIVSA-N 2 0 364.494 0.620 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000637669517 492856892 /nfs/dbraw/zinc/85/68/92/492856892.db2.gz NBGAJWRDLJTFIW-MRXNPFEDSA-N 2 0 350.467 0.944 20 0 FCADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844994 492861510 /nfs/dbraw/zinc/86/15/10/492861510.db2.gz RDGWWXGPLOARGU-KBXCAEBGSA-N 2 0 354.458 0.957 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000631895058 492871637 /nfs/dbraw/zinc/87/16/37/492871637.db2.gz LCGUBBSWYOPMJD-GOSISDBHSA-N 2 0 368.547 0.846 20 0 FCADRP CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@H](C[NH3+])C1 ZINC000637866545 492872527 /nfs/dbraw/zinc/87/25/27/492872527.db2.gz MXDVTJKNVOKOMX-CQSZACIVSA-N 2 0 360.462 0.018 20 0 FCADRP Cn1nc2c(c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC2 ZINC000631897693 492872832 /nfs/dbraw/zinc/87/28/32/492872832.db2.gz MHKLRJXEQDKQMI-UHFFFAOYSA-N 2 0 357.524 0.413 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000631906100 492874660 /nfs/dbraw/zinc/87/46/60/492874660.db2.gz CPPCCXWOBMLRNF-UHFFFAOYSA-N 2 0 358.552 0.418 20 0 FCADRP CCN1C(=O)CO[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)[C@H]1c1nccn1C ZINC000625802628 492889371 /nfs/dbraw/zinc/88/93/71/492889371.db2.gz VUIZBULOJSMSFQ-KBMXLJTQSA-N 2 0 363.462 0.261 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000631944561 492895019 /nfs/dbraw/zinc/89/50/19/492895019.db2.gz ANQBBVZUEZOHLX-JKSUJKDBSA-N 2 0 356.467 0.481 20 0 FCADRP COCC1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[NH2+]CC1 ZINC000652218512 492895307 /nfs/dbraw/zinc/89/53/07/492895307.db2.gz NNNSRSGTQPYVRS-BBWFWOEESA-N 2 0 368.522 0.931 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000631950780 492896897 /nfs/dbraw/zinc/89/68/97/492896897.db2.gz PUEZXJKVNCBEHC-IAGOWNOFSA-N 2 0 370.494 0.789 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645472879 492911885 /nfs/dbraw/zinc/91/18/85/492911885.db2.gz PZUPFHPUKMDYLM-GOSISDBHSA-N 2 0 358.486 0.898 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638137073 492915247 /nfs/dbraw/zinc/91/52/47/492915247.db2.gz QZAPFRULKQRWAN-UHFFFAOYSA-N 2 0 359.518 0.346 20 0 FCADRP COC[C@@]1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000645507826 492915983 /nfs/dbraw/zinc/91/59/83/492915983.db2.gz XHQWWGBRUHKVOM-HXUWFJFHSA-N 2 0 360.502 0.676 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140136 492916732 /nfs/dbraw/zinc/91/67/32/492916732.db2.gz VNSKBBHOKVLLKT-MJGOQNOKSA-N 2 0 360.502 0.803 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632046220 492918820 /nfs/dbraw/zinc/91/88/20/492918820.db2.gz DBWIRMFPMIEIMQ-KRWDZBQOSA-N 2 0 360.568 0.617 20 0 FCADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000645535724 492922339 /nfs/dbraw/zinc/92/23/39/492922339.db2.gz IRBQAYRGBARLPH-GOSISDBHSA-N 2 0 361.490 0.992 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638220076 492922760 /nfs/dbraw/zinc/92/27/60/492922760.db2.gz NBBJRESKARDNGC-ZDUSSCGKSA-N 2 0 366.428 0.297 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000638221466 492923864 /nfs/dbraw/zinc/92/38/64/492923864.db2.gz XAKZSHKQDZHOIW-CYBMUJFWSA-N 2 0 362.400 0.011 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638347130 492938323 /nfs/dbraw/zinc/93/83/23/492938323.db2.gz LMYVVXFHJWIWRC-PKOBYXMFSA-N 3 0 360.502 0.863 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000638357032 492940654 /nfs/dbraw/zinc/94/06/54/492940654.db2.gz UQYIAQFQTPJKGY-UHFFFAOYSA-N 2 0 360.506 0.488 20 0 FCADRP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000632160823 492940889 /nfs/dbraw/zinc/94/08/89/492940889.db2.gz LEQLKBPHDPKQGX-ROUUACIJSA-N 2 0 372.579 0.760 20 0 FCADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000638458561 492948865 /nfs/dbraw/zinc/94/88/65/492948865.db2.gz FFZNUUUBHLXFNJ-UHFFFAOYSA-N 2 0 366.531 0.982 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000638562844 492961147 /nfs/dbraw/zinc/96/11/47/492961147.db2.gz ZYJZIXSQTXTZRO-AGIUHOORSA-N 2 0 364.412 0.382 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000638727661 492972870 /nfs/dbraw/zinc/97/28/70/492972870.db2.gz ICQADVBTQVCEIQ-UHFFFAOYSA-N 2 0 350.467 0.344 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000645783006 492975271 /nfs/dbraw/zinc/97/52/71/492975271.db2.gz BJWBBDSVQPVGOF-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)n(C2CC[NH+](C)CC2)n1 ZINC000626426859 492975795 /nfs/dbraw/zinc/97/57/95/492975795.db2.gz OMYHPGCNNQGZPZ-HNNXBMFYSA-N 2 0 350.467 0.646 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638753516 492976863 /nfs/dbraw/zinc/97/68/63/492976863.db2.gz XJGLOOABBPIDDB-WMZOPIPTSA-N 2 0 369.473 0.736 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC000638855558 492982182 /nfs/dbraw/zinc/98/21/82/492982182.db2.gz DSLHVMCFASRSBF-WMZOPIPTSA-N 2 0 358.486 0.758 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)C1=O ZINC000638856253 492982208 /nfs/dbraw/zinc/98/22/08/492982208.db2.gz LTAUYLPNEFXMSS-DOTOQJQBSA-N 2 0 374.489 0.233 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652666380 492982367 /nfs/dbraw/zinc/98/23/67/492982367.db2.gz FTPINWPJLFTQDS-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638857090 492982592 /nfs/dbraw/zinc/98/25/92/492982592.db2.gz YDKMIJJZGPLFSJ-SFHVURJKSA-N 2 0 358.486 0.873 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)C1=O ZINC000638856848 492982693 /nfs/dbraw/zinc/98/26/93/492982693.db2.gz VBVDOHUMUJVWCI-ZWKOTPCHSA-N 2 0 356.470 0.685 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)C1=O ZINC000638856792 492982778 /nfs/dbraw/zinc/98/27/78/492982778.db2.gz TYOPDEHEUZEMRV-LJQANCHMSA-N 2 0 370.497 0.800 20 0 FCADRP C[C@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638905398 492985718 /nfs/dbraw/zinc/98/57/18/492985718.db2.gz OLHWJCBTKGNXSI-KDOFPFPSSA-N 2 0 354.458 0.957 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652682536 492989217 /nfs/dbraw/zinc/98/92/17/492989217.db2.gz MSUSRMVEJUNFKA-IYBDPMFKSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C[C@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941107 492990143 /nfs/dbraw/zinc/99/01/43/492990143.db2.gz KDKALHVNPFKVIJ-MOPGFXCFSA-N 2 0 360.502 0.421 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941109 492990362 /nfs/dbraw/zinc/99/03/62/492990362.db2.gz KDKALHVNPFKVIJ-RBUKOAKNSA-N 2 0 360.502 0.421 20 0 FCADRP O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987108 492990730 /nfs/dbraw/zinc/99/07/30/492990730.db2.gz LJMAUIVDWBQASN-GASCZTMLSA-N 2 0 371.441 0.605 20 0 FCADRP CCS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000639045368 492993658 /nfs/dbraw/zinc/99/36/58/492993658.db2.gz KCGZPWZPMOMEHI-UHFFFAOYSA-N 2 0 361.552 0.873 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708286 492996528 /nfs/dbraw/zinc/99/65/28/492996528.db2.gz PQWSNQCJGMJDGY-DOTOQJQBSA-N 2 0 368.522 0.722 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708288 492996595 /nfs/dbraw/zinc/99/65/95/492996595.db2.gz PQWSNQCJGMJDGY-RDJZCZTQSA-N 2 0 368.522 0.722 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724598 493004516 /nfs/dbraw/zinc/00/45/16/493004516.db2.gz GZANOZDYVCWSIR-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652728369 493006753 /nfs/dbraw/zinc/00/67/53/493006753.db2.gz HOZLTBXFKOGGLL-YESZJQIVSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cn1 ZINC000646075332 493010707 /nfs/dbraw/zinc/01/07/07/493010707.db2.gz CQWDFBOABCSUDQ-INIZCTEOSA-N 2 0 364.494 0.797 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000632559758 493029116 /nfs/dbraw/zinc/02/91/16/493029116.db2.gz NAABEOFFSBFHCX-KRWDZBQOSA-N 2 0 372.579 0.950 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683488 493030547 /nfs/dbraw/zinc/03/05/47/493030547.db2.gz ZYLDYYXHINHVSB-CVEARBPZSA-N 2 0 359.474 0.706 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000646285333 493037114 /nfs/dbraw/zinc/03/71/14/493037114.db2.gz GVTKSDGNOVSOSS-UHFFFAOYSA-N 2 0 350.467 0.773 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000626880540 493046729 /nfs/dbraw/zinc/04/67/29/493046729.db2.gz CDGUWZLPMANDMB-KRWDZBQOSA-N 2 0 360.458 0.368 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000626896251 493056141 /nfs/dbraw/zinc/05/61/41/493056141.db2.gz LYCBIPRANOULNL-UHFFFAOYSA-N 2 0 362.474 0.697 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626947982 493069238 /nfs/dbraw/zinc/06/92/38/493069238.db2.gz LKPXBSKBHSEPAA-JYYAWHABSA-N 2 0 363.510 0.978 20 0 FCADRP CCN(CC[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000626971284 493072210 /nfs/dbraw/zinc/07/22/10/493072210.db2.gz CYGBUJRAINTLJN-KRWDZBQOSA-N 2 0 361.490 0.874 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000626982236 493074954 /nfs/dbraw/zinc/07/49/54/493074954.db2.gz DDVMICLYPLJNPW-AVGNSLFASA-N 2 0 352.401 0.876 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000653125025 493075727 /nfs/dbraw/zinc/07/57/27/493075727.db2.gz QMLQLLACNTXLDK-LJQANCHMSA-N 2 0 361.534 0.984 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000653125024 493075892 /nfs/dbraw/zinc/07/58/92/493075892.db2.gz QMLQLLACNTXLDK-IBGZPJMESA-N 2 0 361.534 0.984 20 0 FCADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638641 493076322 /nfs/dbraw/zinc/07/63/22/493076322.db2.gz MNWLUGWRRPZOHL-DOTOQJQBSA-N 2 0 374.489 0.092 20 0 FCADRP O=C(NCC1C[NH2+]C1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000640246443 493089982 /nfs/dbraw/zinc/08/99/82/493089982.db2.gz PMAMVBPLWMRRCT-IBGZPJMESA-N 2 0 357.502 0.808 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000653356872 493099602 /nfs/dbraw/zinc/09/96/02/493099602.db2.gz AENVZNQREVZRNQ-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000653365181 493102669 /nfs/dbraw/zinc/10/26/69/493102669.db2.gz NADWUZFUFSAVKP-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653372330 493105565 /nfs/dbraw/zinc/10/55/65/493105565.db2.gz GVFHMHRGSYXEEM-QGZVFWFLSA-N 2 0 356.536 0.484 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000627228179 493111803 /nfs/dbraw/zinc/11/18/03/493111803.db2.gz HZXNKAZRJWDNOR-IRXDYDNUSA-N 2 0 361.494 0.972 20 0 FCADRP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258116 493121103 /nfs/dbraw/zinc/12/11/03/493121103.db2.gz UVAIWANJZRLXJE-GUDVDZBRSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCCO1 ZINC000653416748 493127829 /nfs/dbraw/zinc/12/78/29/493127829.db2.gz CUXJRXFFEWSSAF-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCCO1 ZINC000653416749 493127952 /nfs/dbraw/zinc/12/79/52/493127952.db2.gz CUXJRXFFEWSSAF-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633110686 493130976 /nfs/dbraw/zinc/13/09/76/493130976.db2.gz JYBUIPPUBSTQKT-BZSNNMDCSA-N 2 0 356.470 0.335 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000627289992 493135705 /nfs/dbraw/zinc/13/57/05/493135705.db2.gz ANLHULQDRAKKII-CQSZACIVSA-N 2 0 366.462 0.230 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627291900 493136881 /nfs/dbraw/zinc/13/68/81/493136881.db2.gz HPXXYLCGENYDHX-IAGOWNOFSA-N 2 0 362.474 0.073 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627293454 493137821 /nfs/dbraw/zinc/13/78/21/493137821.db2.gz UHYKBAPSEHCULD-AAEUAGOBSA-N 2 0 364.412 0.573 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311962 493146648 /nfs/dbraw/zinc/14/66/48/493146648.db2.gz LOZHBSMYMYZSGR-YMBUTIGBSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312472 493146732 /nfs/dbraw/zinc/14/67/32/493146732.db2.gz ZKLBQGNKPBUMDL-TWMKSMIVSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311959 493146935 /nfs/dbraw/zinc/14/69/35/493146935.db2.gz LOZHBSMYMYZSGR-BIQFIRCYSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000627324954 493153835 /nfs/dbraw/zinc/15/38/35/493153835.db2.gz UKSXYWUUQOPXIB-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000627324956 493153855 /nfs/dbraw/zinc/15/38/55/493153855.db2.gz UKSXYWUUQOPXIB-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627328758 493156557 /nfs/dbraw/zinc/15/65/57/493156557.db2.gz MSZBHXBCMOXLKO-DLBZAZTESA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627335014 493158959 /nfs/dbraw/zinc/15/89/59/493158959.db2.gz ILMZBYDPHNEGIB-DOTOQJQBSA-N 2 0 362.474 0.118 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000627338998 493161281 /nfs/dbraw/zinc/16/12/81/493161281.db2.gz WKJPIGYFOOYAAO-GOSISDBHSA-N 2 0 373.501 0.619 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000659130696 493161891 /nfs/dbraw/zinc/16/18/91/493161891.db2.gz LKXRPMNWGIBSGE-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094156 493162185 /nfs/dbraw/zinc/16/21/85/493162185.db2.gz MCEUIPVERMXUHF-MRXNPFEDSA-N 2 0 361.490 0.961 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091849 493162246 /nfs/dbraw/zinc/16/22/46/493162246.db2.gz QQNSUKSMLCEBGU-SQNIBIBYSA-N 2 0 371.485 0.823 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647092064 493162535 /nfs/dbraw/zinc/16/25/35/493162535.db2.gz XTAZZPRVZPPYFS-BBWFWOEESA-N 2 0 357.458 0.433 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627343029 493163732 /nfs/dbraw/zinc/16/37/32/493163732.db2.gz WWNKELNPVTVDMZ-BPQIPLTHSA-N 2 0 374.485 0.118 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000659426643 493174441 /nfs/dbraw/zinc/17/44/41/493174441.db2.gz ZBDDYWVVCQFGIB-ZDUSSCGKSA-N 2 0 360.418 0.870 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000659426642 493174655 /nfs/dbraw/zinc/17/46/55/493174655.db2.gz ZBDDYWVVCQFGIB-CYBMUJFWSA-N 2 0 360.418 0.870 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000627358612 493175699 /nfs/dbraw/zinc/17/56/99/493175699.db2.gz NYUOGNTWIAPQNY-SJORKVTESA-N 2 0 360.458 0.044 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000627358609 493175908 /nfs/dbraw/zinc/17/59/08/493175908.db2.gz NYUOGNTWIAPQNY-DLBZAZTESA-N 2 0 360.458 0.044 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000627358611 493175970 /nfs/dbraw/zinc/17/59/70/493175970.db2.gz NYUOGNTWIAPQNY-IRXDYDNUSA-N 2 0 360.458 0.044 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NCC34CC(C3)C[NH2+]4)cn2)CC1 ZINC000659433926 493176016 /nfs/dbraw/zinc/17/60/16/493176016.db2.gz OITNFEZWAOCPBB-UHFFFAOYSA-N 2 0 358.490 0.775 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CCCCC1 ZINC000659434496 493176403 /nfs/dbraw/zinc/17/64/03/493176403.db2.gz NKJPOOZSVVNCJD-CQSZACIVSA-N 2 0 350.467 0.951 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000641174562 493177182 /nfs/dbraw/zinc/17/71/82/493177182.db2.gz RBHHIERPGKQQBG-QGZVFWFLSA-N 2 0 371.485 0.643 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000659440486 493178598 /nfs/dbraw/zinc/17/85/98/493178598.db2.gz PQWYJLOXBXRYNU-AWEZNQCLSA-N 2 0 362.409 0.882 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000659440488 493178666 /nfs/dbraw/zinc/17/86/66/493178666.db2.gz PQWYJLOXBXRYNU-CQSZACIVSA-N 2 0 362.409 0.882 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627367216 493181596 /nfs/dbraw/zinc/18/15/96/493181596.db2.gz NGDSAHAOTZIHGD-MRXNPFEDSA-N 2 0 354.495 0.060 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)c3cn(CC[NH3+])nn3)CCCC2)CC1 ZINC000659285594 493183251 /nfs/dbraw/zinc/18/32/51/493183251.db2.gz WJKVHBRDGXOZDZ-UHFFFAOYSA-N 2 0 350.467 0.390 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264819 493187282 /nfs/dbraw/zinc/18/72/82/493187282.db2.gz UCUDGAWHBJNROT-CABCVRRESA-N 2 0 355.508 0.434 20 0 FCADRP CC[C@@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC[C@H]1[NH3+] ZINC000647270483 493188513 /nfs/dbraw/zinc/18/85/13/493188513.db2.gz ZXDVMVZKYLWYQW-HUUCEWRRSA-N 2 0 357.524 0.809 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)CC2)N1 ZINC000647294554 493190792 /nfs/dbraw/zinc/19/07/92/493190792.db2.gz GSDKBBMBWZRSGY-ZAKOAHRUSA-N 2 0 364.490 0.865 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000627387801 493194993 /nfs/dbraw/zinc/19/49/93/493194993.db2.gz ATXSKBSBQMWJMK-UHFFFAOYSA-N 2 0 362.474 0.067 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659508119 493201855 /nfs/dbraw/zinc/20/18/55/493201855.db2.gz RLUPQJLCSYIPCN-UHFFFAOYSA-N 2 0 360.506 0.498 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000627397295 493202556 /nfs/dbraw/zinc/20/25/56/493202556.db2.gz JKYHGTXXGHRRBQ-QGZVFWFLSA-N 2 0 362.474 0.756 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659508638 493202859 /nfs/dbraw/zinc/20/28/59/493202859.db2.gz WBCFDOIHTRJWDP-UHFFFAOYSA-N 2 0 353.511 0.082 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659547705 493210166 /nfs/dbraw/zinc/21/01/66/493210166.db2.gz AGEMBJXHQVBTBW-ULQDDVLXSA-N 2 0 350.438 0.949 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659551855 493211327 /nfs/dbraw/zinc/21/13/27/493211327.db2.gz CGUAQMJLROPLBY-WWGRRREGSA-N 2 0 354.401 0.698 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000659589831 493217811 /nfs/dbraw/zinc/21/78/11/493217811.db2.gz XOVWODSBWUQPGX-SQNIBIBYSA-N 2 0 362.474 0.900 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659600631 493219171 /nfs/dbraw/zinc/21/91/71/493219171.db2.gz AYFBPWWXKIVFCR-JKSUJKDBSA-N 2 0 365.522 0.890 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000659627462 493222513 /nfs/dbraw/zinc/22/25/13/493222513.db2.gz VEHMWZLOVJLWPO-HOCLYGCPSA-N 2 0 351.495 0.370 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000672697313 493235604 /nfs/dbraw/zinc/23/56/04/493235604.db2.gz QLSQMYSYFRVGGU-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666974316 493243311 /nfs/dbraw/zinc/24/33/11/493243311.db2.gz NEHBXGPSCNZNRO-MRXNPFEDSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659679606 493248112 /nfs/dbraw/zinc/24/81/12/493248112.db2.gz MARZZUGGCLKTGV-BSWAZPDLSA-N 2 0 366.506 0.066 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659679800 493248204 /nfs/dbraw/zinc/24/82/04/493248204.db2.gz DYXGRWPERRSIBW-PMPSAXMXSA-N 2 0 354.495 0.045 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000659682259 493248675 /nfs/dbraw/zinc/24/86/75/493248675.db2.gz IHIBTCSRICRLNC-CABCVRRESA-N 2 0 356.511 0.435 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659682083 493249043 /nfs/dbraw/zinc/24/90/43/493249043.db2.gz GSEKUBAKDKRORP-JKSUJKDBSA-N 2 0 368.522 0.627 20 0 FCADRP CC1(C)CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCN1CCO ZINC000667014723 493249280 /nfs/dbraw/zinc/24/92/80/493249280.db2.gz KJMUIUXJTLLSOQ-UHFFFAOYSA-N 2 0 360.458 0.186 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000659689660 493255351 /nfs/dbraw/zinc/25/53/51/493255351.db2.gz HEYQQIXJDJLUEV-UHFFFAOYSA-N 2 0 350.463 0.439 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000667060359 493255515 /nfs/dbraw/zinc/25/55/15/493255515.db2.gz OOEVAELJLJQCPU-CYBMUJFWSA-N 2 0 369.491 0.482 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704194 493263694 /nfs/dbraw/zinc/26/36/94/493263694.db2.gz HUTHKBDBLNXWNV-ZWKOTPCHSA-N 2 0 362.518 0.825 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000641651567 493271094 /nfs/dbraw/zinc/27/10/94/493271094.db2.gz FKXRYFQLIBWAAQ-KGLIPLIRSA-N 2 0 365.444 0.995 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000641668800 493274627 /nfs/dbraw/zinc/27/46/27/493274627.db2.gz DJGCNMSXSGSXDW-SJLPKXTDSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659726913 493274754 /nfs/dbraw/zinc/27/47/54/493274754.db2.gz CQSLHGKBZGHEMV-QAPCUYQASA-N 2 0 373.501 0.606 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727920 493275142 /nfs/dbraw/zinc/27/51/42/493275142.db2.gz GZLRIPJLFRSENH-QGZVFWFLSA-N 2 0 359.474 0.230 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2([NH3+])CCCC2)o1 ZINC000659733480 493278116 /nfs/dbraw/zinc/27/81/16/493278116.db2.gz FRUKJRWPSKZXBF-UHFFFAOYSA-N 2 0 350.463 0.866 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739456 493280407 /nfs/dbraw/zinc/28/04/07/493280407.db2.gz USXHPLIXALAZLC-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750516 493285945 /nfs/dbraw/zinc/28/59/45/493285945.db2.gz CLUSSCMWCJUTGV-RDJZCZTQSA-N 2 0 361.490 0.619 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659751748 493285981 /nfs/dbraw/zinc/28/59/81/493285981.db2.gz JEUWRLDUXZOPDP-OAHLLOKOSA-N 2 0 361.490 0.871 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cn1 ZINC000682291006 493288157 /nfs/dbraw/zinc/28/81/57/493288157.db2.gz OTOJDDWBKMKSMX-UHFFFAOYSA-N 2 0 362.478 0.470 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667537190 493289134 /nfs/dbraw/zinc/28/91/34/493289134.db2.gz SRLAZQKKDIXZBE-HOCLYGCPSA-N 2 0 360.458 0.906 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000667538628 493289309 /nfs/dbraw/zinc/28/93/09/493289309.db2.gz JAHPPAHRWYBURO-YOEHRIQHSA-N 2 0 360.458 0.776 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000682352432 493293367 /nfs/dbraw/zinc/29/33/67/493293367.db2.gz MCKMOPNTLRZZHY-CQSZACIVSA-N 2 0 350.467 0.372 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667799453 493302789 /nfs/dbraw/zinc/30/27/89/493302789.db2.gz WBBQNNFJGHDYNV-KRWDZBQOSA-N 2 0 372.473 0.498 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000660028926 493316814 /nfs/dbraw/zinc/31/68/14/493316814.db2.gz YLBUCLZZKHXHLG-OAHLLOKOSA-N 2 0 357.524 0.824 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170757 493331817 /nfs/dbraw/zinc/33/18/17/493331817.db2.gz FWPILKXWYHUPTN-IRXDYDNUSA-N 2 0 366.506 0.252 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660639008 493369208 /nfs/dbraw/zinc/36/92/08/493369208.db2.gz AZFMCMVIZVNYHG-INIZCTEOSA-N 2 0 368.522 0.092 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668546263 493374160 /nfs/dbraw/zinc/37/41/60/493374160.db2.gz WVYNFSVZBIRKIN-ROUUACIJSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581696 493377800 /nfs/dbraw/zinc/37/78/00/493377800.db2.gz JNGRDNCYOGVQAZ-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860982 493388216 /nfs/dbraw/zinc/38/82/16/493388216.db2.gz ADGKJFVZBAFDQU-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP COC1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000674324423 493408225 /nfs/dbraw/zinc/40/82/25/493408225.db2.gz DACXXBVEXXQCQS-HXUWFJFHSA-N 2 0 361.486 0.850 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674329022 493408655 /nfs/dbraw/zinc/40/86/55/493408655.db2.gz WGSQDQCAFZRSGB-UHFFFAOYSA-N 2 0 356.511 0.897 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000668839763 493419046 /nfs/dbraw/zinc/41/90/46/493419046.db2.gz CSWWHSDKQKPDHJ-QGZVFWFLSA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000661333529 493428618 /nfs/dbraw/zinc/42/86/18/493428618.db2.gz NGQPLEAHZRSZTP-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661675250 493456752 /nfs/dbraw/zinc/45/67/52/493456752.db2.gz YWSADYPTINHBSC-QGZVFWFLSA-N 2 0 359.474 0.671 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)ccn2)CC1 ZINC000669156611 493469391 /nfs/dbraw/zinc/46/93/91/493469391.db2.gz HGOZLQRQXFDDCF-IRXDYDNUSA-N 2 0 358.490 0.727 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000675190045 493472716 /nfs/dbraw/zinc/47/27/16/493472716.db2.gz GYQYHBIAUNFKBF-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661985756 493480961 /nfs/dbraw/zinc/48/09/61/493480961.db2.gz XLZVXRVJKGEWPQ-DOTOQJQBSA-N 2 0 368.522 0.726 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccsc1 ZINC000669279515 493488873 /nfs/dbraw/zinc/48/88/73/493488873.db2.gz ROUMDJUZQYAHJG-OAHLLOKOSA-N 2 0 367.519 0.862 20 0 FCADRP C[NH+](C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568539 493503832 /nfs/dbraw/zinc/50/38/32/493503832.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 2 0 368.566 0.293 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298022 493504571 /nfs/dbraw/zinc/50/45/71/493504571.db2.gz TVUFDKPNVMTXTQ-HYVNUMGLSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298023 493504930 /nfs/dbraw/zinc/50/49/30/493504930.db2.gz TVUFDKPNVMTXTQ-OIISXLGYSA-N 2 0 350.507 0.810 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337874 493507824 /nfs/dbraw/zinc/50/78/24/493507824.db2.gz NAGVYSYNJRMFQK-JKSUJKDBSA-N 3 0 360.506 0.520 20 0 FCADRP C[C@H]1CN(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338482 493507861 /nfs/dbraw/zinc/50/78/61/493507861.db2.gz SASAQAYKUXIJRN-IRXDYDNUSA-N 2 0 362.522 0.719 20 0 FCADRP C[C@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000669509321 493508384 /nfs/dbraw/zinc/50/83/84/493508384.db2.gz GLNUWEGIHBTYFY-ZACQAIPSSA-N 2 0 350.507 0.683 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000669529830 493508887 /nfs/dbraw/zinc/50/88/87/493508887.db2.gz FSKVQKVBSXPUPX-KGLIPLIRSA-N 2 0 365.444 0.996 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn[nH]c3[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000662365847 493509606 /nfs/dbraw/zinc/50/96/06/493509606.db2.gz YGSKETLJRLFGCW-CYBMUJFWSA-N 2 0 355.446 0.886 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000669570335 493511389 /nfs/dbraw/zinc/51/13/89/493511389.db2.gz SPEOGACJWXNDGG-IRXDYDNUSA-N 2 0 364.515 0.892 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000662391909 493512505 /nfs/dbraw/zinc/51/25/05/493512505.db2.gz LQBSYKKMPHCOCS-UHFFFAOYSA-N 2 0 371.489 0.569 20 0 FCADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662400951 493513001 /nfs/dbraw/zinc/51/30/01/493513001.db2.gz GOKWAKWBZFFMGW-INIZCTEOSA-N 2 0 356.470 0.616 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662404775 493513745 /nfs/dbraw/zinc/51/37/45/493513745.db2.gz JJWVVSOJLUUUGH-IRXDYDNUSA-N 2 0 358.486 0.992 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000676001469 493517850 /nfs/dbraw/zinc/51/78/50/493517850.db2.gz KIBVWBZSQAWTOH-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462854 493517982 /nfs/dbraw/zinc/51/79/82/493517982.db2.gz OYERRJTVSVBEBT-HKUYNNGSSA-N 2 0 358.486 0.744 20 0 FCADRP Cc1c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662474240 493519026 /nfs/dbraw/zinc/51/90/26/493519026.db2.gz UUCITMVHLMEHIM-QGZVFWFLSA-N 2 0 368.485 0.950 20 0 FCADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000676064203 493521123 /nfs/dbraw/zinc/52/11/23/493521123.db2.gz JDMSZNWOBYYIDU-UHFFFAOYSA-N 2 0 370.519 0.926 20 0 FCADRP COc1cc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000662691695 493531865 /nfs/dbraw/zinc/53/18/65/493531865.db2.gz LMHBDIJBGGBJAI-WMLDXEAASA-N 2 0 351.447 0.616 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC000662733752 493536170 /nfs/dbraw/zinc/53/61/70/493536170.db2.gz MOBVBZKULWLGDX-QGZVFWFLSA-N 2 0 358.486 0.469 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757707 493539412 /nfs/dbraw/zinc/53/94/12/493539412.db2.gz LRHNOMNDGGXYLU-CVEARBPZSA-N 2 0 363.510 0.349 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845250 493546357 /nfs/dbraw/zinc/54/63/57/493546357.db2.gz GSIQAPOGMQKVTM-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845249 493546495 /nfs/dbraw/zinc/54/64/95/493546495.db2.gz GSIQAPOGMQKVTM-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662860118 493547314 /nfs/dbraw/zinc/54/73/14/493547314.db2.gz QMAPISHQDOXPHC-DLBZAZTESA-N 2 0 370.457 0.309 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[C@H]1F ZINC000662924100 493553999 /nfs/dbraw/zinc/55/39/99/493553999.db2.gz PRJUZSOSVBHDGU-HZPDHXFCSA-N 2 0 354.470 0.609 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000662930388 493555230 /nfs/dbraw/zinc/55/52/30/493555230.db2.gz PPPBUSGAKLYDBS-UHFFFAOYSA-N 2 0 356.417 0.662 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000662939587 493556669 /nfs/dbraw/zinc/55/66/69/493556669.db2.gz AWHDREUSQNKTDL-UHFFFAOYSA-N 2 0 368.522 0.533 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)c2)CC1 ZINC000662945820 493559126 /nfs/dbraw/zinc/55/91/26/493559126.db2.gz JCFFMHRAFKMQMW-UHFFFAOYSA-N 2 0 370.457 0.318 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946842 493559186 /nfs/dbraw/zinc/55/91/86/493559186.db2.gz DEENMCNPEMHWPG-OALUTQOASA-N 2 0 372.513 0.972 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000662953554 493559815 /nfs/dbraw/zinc/55/98/15/493559815.db2.gz KHAKSASESKBNSK-ZWKOTPCHSA-N 2 0 358.486 0.569 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662950532 493559973 /nfs/dbraw/zinc/55/99/73/493559973.db2.gz MRBNFLBHGRIRFM-QRQLOZEOSA-N 2 0 372.513 0.958 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662951079 493560065 /nfs/dbraw/zinc/56/00/65/493560065.db2.gz HYERNXVLSGPFEV-MOPGFXCFSA-N 2 0 372.513 0.830 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662954221 493560554 /nfs/dbraw/zinc/56/05/54/493560554.db2.gz SXMVTPAQIGVTBY-UHOSZYNNSA-N 2 0 372.513 0.958 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662972221 493562624 /nfs/dbraw/zinc/56/26/24/493562624.db2.gz ASZWIUULARTFMJ-QGZVFWFLSA-N 2 0 360.502 0.958 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH2+]CC1 ZINC000663004829 493565864 /nfs/dbraw/zinc/56/58/64/493565864.db2.gz RXNFIOSOKPXJRW-OAHLLOKOSA-N 2 0 357.520 0.391 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432432 493566335 /nfs/dbraw/zinc/56/63/35/493566335.db2.gz NQKGTJLNFWHLOA-HZMVEIRTSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)co1 ZINC000663016564 493566534 /nfs/dbraw/zinc/56/65/34/493566534.db2.gz CQBFZLGVXNBUSU-CYBMUJFWSA-N 2 0 358.446 0.891 20 0 FCADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016839 493566630 /nfs/dbraw/zinc/56/66/30/493566630.db2.gz GHLIODCZUGSYMJ-HOTGVXAUSA-N 2 0 372.517 0.915 20 0 FCADRP O=C(N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663217875 493577619 /nfs/dbraw/zinc/57/76/19/493577619.db2.gz SZINTTPXVNFWBC-IYOUNJFTSA-N 2 0 362.499 0.850 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000670671409 493587287 /nfs/dbraw/zinc/58/72/87/493587287.db2.gz CMAQKEFXALKZCB-IAGOWNOFSA-N 2 0 368.522 0.448 20 0 FCADRP c1nc2nc(=N[C@@H]3CC[NH+](C4CC4)C3)cc(N[C@H]3CC[N@@H+](C4CC4)C3)n2[nH]1 ZINC000663425496 493588183 /nfs/dbraw/zinc/58/81/83/493588183.db2.gz RCSQGAKTBDACFN-KGLIPLIRSA-N 2 0 368.489 0.843 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@@H](C)C2)CC1=O ZINC000677175775 493588185 /nfs/dbraw/zinc/58/81/85/493588185.db2.gz JODGYIXRTRZYIL-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000670782784 493596160 /nfs/dbraw/zinc/59/61/60/493596160.db2.gz NQRZKDCZMKFANK-KRWDZBQOSA-N 2 0 364.490 0.053 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000670804569 493598706 /nfs/dbraw/zinc/59/87/06/493598706.db2.gz LMIKUXSDBDGLAG-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663581075 493601444 /nfs/dbraw/zinc/60/14/44/493601444.db2.gz ZVEACBNNGJUFOG-SFHVURJKSA-N 2 0 367.538 0.565 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663615535 493604343 /nfs/dbraw/zinc/60/43/43/493604343.db2.gz KPLXHBUHKCSSKA-HXUWFJFHSA-N 2 0 373.501 0.631 20 0 FCADRP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2CN(C)CCO2)cn1)[C@H]1CN(C)CCO1 ZINC000663730423 493615294 /nfs/dbraw/zinc/61/52/94/493615294.db2.gz PXVKKGHAGFAKND-QKPAOTATSA-N 2 0 364.494 0.739 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663733068 493615416 /nfs/dbraw/zinc/61/54/16/493615416.db2.gz ALSQIPFKYUISQU-UHFFFAOYSA-N 2 0 353.511 0.522 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000670997867 493622032 /nfs/dbraw/zinc/62/20/32/493622032.db2.gz IPYHASGYLYHQLB-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000671070925 493629601 /nfs/dbraw/zinc/62/96/01/493629601.db2.gz QYZKIOHISAOWGL-RHSMWYFYSA-N 2 0 356.536 0.531 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103228 493634537 /nfs/dbraw/zinc/63/45/37/493634537.db2.gz ZWCIVXWHOIAZDQ-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671105919 493634954 /nfs/dbraw/zinc/63/49/54/493634954.db2.gz OTNVBNDSQCECTF-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104575 493635184 /nfs/dbraw/zinc/63/51/84/493635184.db2.gz WEPMBMPKUBKBLT-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107189 493635664 /nfs/dbraw/zinc/63/56/64/493635664.db2.gz GTCNOGWANXTLDY-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671122981 493639241 /nfs/dbraw/zinc/63/92/41/493639241.db2.gz XFVJTCZUQXXPHI-HNNXBMFYSA-N 2 0 357.458 0.331 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380484 493678027 /nfs/dbraw/zinc/67/80/27/493678027.db2.gz IPBFHJRMKHRZRW-YESZJQIVSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@H](CCN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778924 493683156 /nfs/dbraw/zinc/68/31/56/493683156.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 0 370.582 0.539 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000664815611 493684715 /nfs/dbraw/zinc/68/47/15/493684715.db2.gz QPYHYDTWQSDANM-KRWDZBQOSA-N 2 0 367.538 0.253 20 0 FCADRP CCOC(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000679904227 493700182 /nfs/dbraw/zinc/70/01/82/493700182.db2.gz CELABTSTHVYGCK-IAGOWNOFSA-N 2 0 368.522 0.593 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671941237 493716237 /nfs/dbraw/zinc/71/62/37/493716237.db2.gz WFMUDSSFSAYKBK-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000680520105 493722139 /nfs/dbraw/zinc/72/21/39/493722139.db2.gz JTKGGJSIUQHJAT-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556080 493723178 /nfs/dbraw/zinc/72/31/78/493723178.db2.gz QJKXWOMSLANYDO-HZPDHXFCSA-N 2 0 365.522 0.807 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010662 493724056 /nfs/dbraw/zinc/72/40/56/493724056.db2.gz XKPAEBLGCSYYKB-GOEBONIOSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672011007 493724600 /nfs/dbraw/zinc/72/46/00/493724600.db2.gz PVMAPNYRWLTFDC-OWCLPIDISA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014207 493724928 /nfs/dbraw/zinc/72/49/28/493724928.db2.gz KTXHOJLKTPHEBV-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304754 493751904 /nfs/dbraw/zinc/75/19/04/493751904.db2.gz JITJHQNYUDNULW-QZTJIDSGSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308024 493753440 /nfs/dbraw/zinc/75/34/40/493753440.db2.gz WLMCRBSSFMLWSP-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308022 493753582 /nfs/dbraw/zinc/75/35/82/493753582.db2.gz WLMCRBSSFMLWSP-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000672310224 493754136 /nfs/dbraw/zinc/75/41/36/493754136.db2.gz KWDZMAWXJIDEEU-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000672310225 493754218 /nfs/dbraw/zinc/75/42/18/493754218.db2.gz KWDZMAWXJIDEEU-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309474 493754377 /nfs/dbraw/zinc/75/43/77/493754377.db2.gz UDOBPPIWAARJNO-MRXNPFEDSA-N 2 0 362.474 0.770 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310250 493754409 /nfs/dbraw/zinc/75/44/09/493754409.db2.gz LTKOOWFGVOWBKI-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)O1 ZINC000188286708 526330223 /nfs/dbraw/zinc/33/02/23/526330223.db2.gz MDYSUKJLDRZWHF-KBPBESRZSA-N 2 0 356.511 0.543 20 0 FCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)O1 ZINC000188286684 526330609 /nfs/dbraw/zinc/33/06/09/526330609.db2.gz MDYSUKJLDRZWHF-ZIAGYGMSSA-N 2 0 356.511 0.543 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000419961520 536448886 /nfs/dbraw/zinc/44/88/86/536448886.db2.gz XHMUNXFIWPETNI-SJORKVTESA-N 2 0 352.523 0.929 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419933525 536448955 /nfs/dbraw/zinc/44/89/55/536448955.db2.gz FFNIAIWZKYXYDZ-OAGGEKHMSA-N 2 0 368.522 0.306 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172644 536473348 /nfs/dbraw/zinc/47/33/48/536473348.db2.gz SYBRPLLJTZCICW-RHSMWYFYSA-N 2 0 360.458 0.905 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000410471511 528144216 /nfs/dbraw/zinc/14/42/16/528144216.db2.gz QJLGGYKEVFNWLV-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP CCN(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000412420520 528566303 /nfs/dbraw/zinc/56/63/03/528566303.db2.gz AJJPECWDTQBQRY-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413218992 528820765 /nfs/dbraw/zinc/82/07/65/528820765.db2.gz CBGKPBWEXMHUHM-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)C(C)C)O1 ZINC000189508281 528822517 /nfs/dbraw/zinc/82/25/17/528822517.db2.gz AHNGBRQHMWLNFJ-HZPDHXFCSA-N 2 0 356.511 0.447 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410889338 528891024 /nfs/dbraw/zinc/89/10/24/528891024.db2.gz YNFOFDFSRVIDCS-QGZVFWFLSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCN(C)CC1 ZINC000173911522 529008334 /nfs/dbraw/zinc/00/83/34/529008334.db2.gz JIELMEXMTQKDJW-INIZCTEOSA-N 2 0 365.526 0.838 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262084434 529036840 /nfs/dbraw/zinc/03/68/40/529036840.db2.gz TZTPHUHYOFBMPX-HOCLYGCPSA-N 2 0 352.866 0.912 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000411030772 529074121 /nfs/dbraw/zinc/07/41/21/529074121.db2.gz RUGXUDYUTJUGOW-YESZJQIVSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192002007 529080966 /nfs/dbraw/zinc/08/09/66/529080966.db2.gz TUDKVOOMQCZVKR-OAHLLOKOSA-N 2 0 357.524 0.824 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413296935 529200640 /nfs/dbraw/zinc/20/06/40/529200640.db2.gz RBKFCWUYNHPKDS-CVEARBPZSA-N 2 0 354.495 0.997 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419538519 536542947 /nfs/dbraw/zinc/54/29/47/536542947.db2.gz OZNWWSYYZCBMOC-HOCLYGCPSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415080936 535049192 /nfs/dbraw/zinc/04/91/92/535049192.db2.gz MKZPODIIXANYLF-HNNXBMFYSA-N 2 0 361.490 0.882 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423504897 535062191 /nfs/dbraw/zinc/06/21/91/535062191.db2.gz LJDFTPXNUXQDNU-DOTOQJQBSA-N 2 0 364.465 0.877 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419158189 535075914 /nfs/dbraw/zinc/07/59/14/535075914.db2.gz WFGQHEMCWRTUJL-QFBILLFUSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000419390206 535082490 /nfs/dbraw/zinc/08/24/90/535082490.db2.gz IEUHEMBJZIHKSD-AEFFLSMTSA-N 2 0 370.497 0.760 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000419154726 535082688 /nfs/dbraw/zinc/08/26/88/535082688.db2.gz QLLAEFSRWAIKMM-BBWFWOEESA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419385495 535085245 /nfs/dbraw/zinc/08/52/45/535085245.db2.gz CKCNUCZOXDGVGB-QGZVFWFLSA-N 2 0 358.486 0.793 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419386931 535087839 /nfs/dbraw/zinc/08/78/39/535087839.db2.gz FBHLXUHGAPLTPX-QGZVFWFLSA-N 2 0 358.486 0.808 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140570 535115662 /nfs/dbraw/zinc/11/56/62/535115662.db2.gz SNAQWLKCVYPUNW-GJZGRUSLSA-N 2 0 350.467 0.289 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660094 535186535 /nfs/dbraw/zinc/18/65/35/535186535.db2.gz JNJQXJGOXWMJPT-RDJZCZTQSA-N 2 0 366.506 0.299 20 0 FCADRP CCCN(C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000419762058 535190394 /nfs/dbraw/zinc/19/03/94/535190394.db2.gz REOSSSQRLKAONV-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419231481 535192734 /nfs/dbraw/zinc/19/27/34/535192734.db2.gz RWVFHBXXKBSCOW-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424539427 535507556 /nfs/dbraw/zinc/50/75/56/535507556.db2.gz FDJRPGKDJDQCQW-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419694070 535507849 /nfs/dbraw/zinc/50/78/49/535507849.db2.gz PBXKRLKOBGFWOH-CQSZACIVSA-N 2 0 356.536 0.578 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419198752 535508540 /nfs/dbraw/zinc/50/85/40/535508540.db2.gz ZAKBUPDHKMXZGZ-MRXNPFEDSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419168089 535510065 /nfs/dbraw/zinc/51/00/65/535510065.db2.gz JZLMCCXMASQALL-SJLPKXTDSA-N 2 0 360.502 0.781 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839706 535523708 /nfs/dbraw/zinc/52/37/08/535523708.db2.gz HUJSGAAJULQEHA-ZDUSSCGKSA-N 2 0 366.428 0.977 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000423431078 535549395 /nfs/dbraw/zinc/54/93/95/535549395.db2.gz AGTFAWDRNIKATD-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000419337702 535669806 /nfs/dbraw/zinc/66/98/06/535669806.db2.gz BMUXQSXYQBHVTN-OWCLPIDISA-N 2 0 364.515 0.925 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419824366 535709677 /nfs/dbraw/zinc/70/96/77/535709677.db2.gz MRAUMLQYQBEXPK-IXDOHACOSA-N 2 0 367.538 0.010 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419822492 535709848 /nfs/dbraw/zinc/70/98/48/535709848.db2.gz LOMDWFVHSODTAN-ZACQAIPSSA-N 2 0 367.538 0.105 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000415314941 535749388 /nfs/dbraw/zinc/74/93/88/535749388.db2.gz YQRLCWZMESNVHD-UHFFFAOYSA-N 2 0 359.474 0.589 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419827837 535860302 /nfs/dbraw/zinc/86/03/02/535860302.db2.gz CBHRMJWMZXXMDJ-UHFFFAOYSA-N 2 0 371.279 0.414 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419921988 535862282 /nfs/dbraw/zinc/86/22/82/535862282.db2.gz JFEXLQVWAQETLD-UHFFFAOYSA-N 2 0 352.866 0.566 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419846382 535863317 /nfs/dbraw/zinc/86/33/17/535863317.db2.gz HFUFCKWCVMRLGE-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000419662109 535901938 /nfs/dbraw/zinc/90/19/38/535901938.db2.gz NZXOOWFKAXLPFI-UHFFFAOYSA-N 2 0 362.474 0.283 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000419215293 535903936 /nfs/dbraw/zinc/90/39/36/535903936.db2.gz NZLLVPHNXQFDGM-HXUWFJFHSA-N 2 0 374.485 0.455 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1F ZINC000419832952 535906672 /nfs/dbraw/zinc/90/66/72/535906672.db2.gz YJNWPLYTWDOGRD-UHFFFAOYSA-N 2 0 366.437 0.915 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419840679 535944167 /nfs/dbraw/zinc/94/41/67/535944167.db2.gz JAMZIQKUFSBLMH-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCSC1 ZINC000419580587 536140895 /nfs/dbraw/zinc/14/08/95/536140895.db2.gz IJMOREMTOGOZFI-SFHVURJKSA-N 2 0 368.547 0.531 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@@H]21 ZINC000414964578 536376574 /nfs/dbraw/zinc/37/65/74/536376574.db2.gz MLDXJCKCJSZFBK-PBHICJAKSA-N 2 0 360.458 0.905 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423439198 536415996 /nfs/dbraw/zinc/41/59/96/536415996.db2.gz HQQBMPBWNDMNOL-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CC1 ZINC000415315375 536416274 /nfs/dbraw/zinc/41/62/74/536416274.db2.gz ZISXBMGFPNITED-UHFFFAOYSA-N 2 0 373.501 0.570 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424491814 536416318 /nfs/dbraw/zinc/41/63/18/536416318.db2.gz FXCMHQWHBZLECC-OKZBNKHCSA-N 2 0 356.470 0.540 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423307357 536433034 /nfs/dbraw/zinc/43/30/34/536433034.db2.gz MZQIXRCMWMHJPP-ROUUACIJSA-N 2 0 374.485 0.153 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000419769879 536481804 /nfs/dbraw/zinc/48/18/04/536481804.db2.gz WJMAAKHOKBUDTN-MSOLQXFVSA-N 2 0 374.485 0.118 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000423674781 536733889 /nfs/dbraw/zinc/73/38/89/536733889.db2.gz PJRSVAJBXMPSCB-HOTGVXAUSA-N 2 0 352.479 0.038 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423453745 536775933 /nfs/dbraw/zinc/77/59/33/536775933.db2.gz YAGKBTKPYRTCBQ-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424526297 536779482 /nfs/dbraw/zinc/77/94/82/536779482.db2.gz RVMWPQGDEAYCMN-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419730723 536875651 /nfs/dbraw/zinc/87/56/51/536875651.db2.gz QBIJBBWVJWUKRR-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164661 546549462 /nfs/dbraw/zinc/54/94/62/546549462.db2.gz GYTRSGLOEZRHNQ-JKSUJKDBSA-N 2 0 367.519 0.790 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000329684284 546560867 /nfs/dbraw/zinc/56/08/67/546560867.db2.gz UETULBXEYWZKCY-QGZVFWFLSA-N 2 0 352.523 0.319 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000591640614 546596067 /nfs/dbraw/zinc/59/60/67/546596067.db2.gz AFJKDVONPGWBPE-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999577 546682776 /nfs/dbraw/zinc/68/27/76/546682776.db2.gz BFOTYTRVOYQTQA-RRFJBIMHSA-N 2 0 351.447 0.197 20 0 FCADRP CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940189 546872477 /nfs/dbraw/zinc/87/24/77/546872477.db2.gz PCMFIQKZAVWGQG-YWPYICTPSA-N 2 0 354.476 0.720 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000549993626 547076609 /nfs/dbraw/zinc/07/66/09/547076609.db2.gz KPMLRJDHUILDFH-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP COCCn1nnc2c1CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000550190251 547080835 /nfs/dbraw/zinc/08/08/35/547080835.db2.gz SRRPLIGATZELBV-UHFFFAOYSA-N 2 0 350.511 0.699 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550658343 547094803 /nfs/dbraw/zinc/09/48/03/547094803.db2.gz JWADJXPBASADIM-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000551063139 547123481 /nfs/dbraw/zinc/12/34/81/547123481.db2.gz LFUIXEANMMWTQS-INIZCTEOSA-N 2 0 361.552 0.933 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000551217581 547135964 /nfs/dbraw/zinc/13/59/64/547135964.db2.gz SAYKPYJAUVMEFQ-CRAIPNDOSA-N 2 0 368.547 0.627 20 0 FCADRP COC(=O)CN1CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000552278922 547198203 /nfs/dbraw/zinc/19/82/03/547198203.db2.gz SZDLLQKHTIFHOQ-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000553542997 547286857 /nfs/dbraw/zinc/28/68/57/547286857.db2.gz OTTTUWCOGFYXQK-OAGGEKHMSA-N 2 0 351.495 0.594 20 0 FCADRP C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000552462002 547381177 /nfs/dbraw/zinc/38/11/77/547381177.db2.gz BQMUNKFEQXXSQF-LLVKDONJSA-N 2 0 359.459 0.865 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000950256376 674423754 /nfs/dbraw/zinc/42/37/54/674423754.db2.gz WMVDRQQNNYPYDV-YESZJQIVSA-N 2 0 350.507 0.918 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCCN2CCCC2=O)C1 ZINC000950363930 674425620 /nfs/dbraw/zinc/42/56/20/674425620.db2.gz YGDUGCGLTHUFPA-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736767988 598701518 /nfs/dbraw/zinc/70/15/18/598701518.db2.gz VIZQUMGZKGRGQS-UHFFFAOYSA-N 2 0 361.450 0.197 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736568234 599485125 /nfs/dbraw/zinc/48/51/25/599485125.db2.gz KBDWDBRPSMXQFP-UHFFFAOYSA-N 2 0 369.477 0.632 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000825865854 607519413 /nfs/dbraw/zinc/51/94/13/607519413.db2.gz NILWFZSCELMNAU-UHFFFAOYSA-N 2 0 358.450 0.152 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000954408228 674496535 /nfs/dbraw/zinc/49/65/35/674496535.db2.gz BLCFUEICHQCVNI-BFYDXBDKSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)[C@@H]1CCNC1=O ZINC000957716094 674551263 /nfs/dbraw/zinc/55/12/63/674551263.db2.gz TXGXCXKVGOYRJL-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588570 665732411 /nfs/dbraw/zinc/73/24/11/665732411.db2.gz SMDNIJNVAFKDKJ-HZPDHXFCSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2)CO1 ZINC000891102955 663311131 /nfs/dbraw/zinc/31/11/31/663311131.db2.gz HUVKIIBLYNUEAG-JFIYKMOQSA-N 2 0 356.511 0.848 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891480307 663408677 /nfs/dbraw/zinc/40/86/77/663408677.db2.gz AYIJSFKKDOZBOY-DAYGRLMNSA-N 2 0 351.495 0.513 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891483846 663408883 /nfs/dbraw/zinc/40/88/83/663408883.db2.gz RZJZCVQUCIKOHM-PMPSAXMXSA-N 2 0 351.495 0.465 20 0 FCADRP [NH3+]CC1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891563537 663415737 /nfs/dbraw/zinc/41/57/37/663415737.db2.gz IUFSOZOMTDLADI-MRXNPFEDSA-N 2 0 353.511 0.354 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847044 663444426 /nfs/dbraw/zinc/44/44/26/663444426.db2.gz DKZRAYYJZKPBSD-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000891880952 663445865 /nfs/dbraw/zinc/44/58/65/663445865.db2.gz QCLBUFFIEWLKTC-OLZOCXBDSA-N 2 0 365.444 0.791 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892041746 663469696 /nfs/dbraw/zinc/46/96/96/663469696.db2.gz VBTOOPHXXKLSCF-DLBZAZTESA-N 2 0 355.527 0.600 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097358 663475713 /nfs/dbraw/zinc/47/57/13/663475713.db2.gz NHHKEEWWONNZPZ-IKGGRYGDSA-N 2 0 353.511 0.223 20 0 FCADRP C[C@H]1CC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000892292293 663522991 /nfs/dbraw/zinc/52/29/91/663522991.db2.gz AEFJGMKDSUVJMN-LSDHHAIUSA-N 2 0 351.495 0.642 20 0 FCADRP COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000904457024 665989710 /nfs/dbraw/zinc/98/97/10/665989710.db2.gz KHSJNIOJCDJUIH-HNNXBMFYSA-N 2 0 350.467 0.992 20 0 FCADRP CC(C)C[C@H](NC(=O)N1C2CCC1(C[NH3+])CC2)C(=O)NCC[NH+](C)C ZINC000892465304 663936422 /nfs/dbraw/zinc/93/64/22/663936422.db2.gz QAFQMJVNGLLOAP-CSLYMUCUSA-N 2 0 353.511 0.744 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCCC2=O)CC[N@@H+]1C ZINC001024446338 663943671 /nfs/dbraw/zinc/94/36/71/663943671.db2.gz BOHNLJYVWHKBDM-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000973334321 664100128 /nfs/dbraw/zinc/10/01/28/664100128.db2.gz CFSWRJCMZODDFC-QUSNUVHPSA-N 2 0 350.507 0.822 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C(F)(F)F ZINC000892761462 664138054 /nfs/dbraw/zinc/13/80/54/664138054.db2.gz WKQUZIVBTRWCLO-FRRDWIJNSA-N 2 0 364.412 0.924 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCC[N@H+]1CCCO ZINC000892760540 664138629 /nfs/dbraw/zinc/13/86/29/664138629.db2.gz UIVGEBFTIMKCEL-JKSUJKDBSA-N 2 0 354.495 0.291 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818445 664195183 /nfs/dbraw/zinc/19/51/83/664195183.db2.gz RDELBAPLDHPGDN-KYFQHEKYSA-N 2 0 359.417 0.176 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)CC[N@@H+]1C ZINC000959968402 674604295 /nfs/dbraw/zinc/60/42/95/674604295.db2.gz RKRMAOHUVIXSFY-XJBGLIRHSA-N 2 0 351.882 0.923 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001026853512 664271837 /nfs/dbraw/zinc/27/18/37/664271837.db2.gz JKDYUQWTRNZVIO-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCSC1 ZINC000893418507 664356805 /nfs/dbraw/zinc/35/68/05/664356805.db2.gz YHVYPXXVJRLNMH-UXLLHSPISA-N 2 0 356.536 0.664 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000977813538 664424381 /nfs/dbraw/zinc/42/43/81/664424381.db2.gz FBZOCJWQLWGZRN-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000909403016 664452812 /nfs/dbraw/zinc/45/28/12/664452812.db2.gz VSTCLZNSYDMDSH-UHFFFAOYSA-N 2 0 350.511 0.591 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@H](C)C(N)=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982285674 664864573 /nfs/dbraw/zinc/86/45/73/664864573.db2.gz QXVHRXDIZGVUDB-MXQZZYIMSA-N 2 0 350.507 0.761 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000893740588 664872922 /nfs/dbraw/zinc/87/29/22/664872922.db2.gz FFKACERXVVEQKB-SJORKVTESA-N 2 0 354.495 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000982897380 664933003 /nfs/dbraw/zinc/93/30/03/664933003.db2.gz LUCXTKAJXSTSGF-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000982943501 664936145 /nfs/dbraw/zinc/93/61/45/664936145.db2.gz WGIMHCIWTKSDKS-HLLBOEOZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC000983708678 664985282 /nfs/dbraw/zinc/98/52/82/664985282.db2.gz MGAUTDGBUXHZLX-YIDVYQOGSA-N 2 0 357.520 0.246 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC000983708720 664985298 /nfs/dbraw/zinc/98/52/98/664985298.db2.gz MUOUKIIBHIPXSM-WRQOLXDDSA-N 2 0 350.507 0.727 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000983714336 664985550 /nfs/dbraw/zinc/98/55/50/664985550.db2.gz PYNNDMDOWJIJLG-BTFPBAQTSA-N 2 0 350.463 0.006 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896540967 665092634 /nfs/dbraw/zinc/09/26/34/665092634.db2.gz HDRRZFQFTPRXQD-USXIJHARSA-N 2 0 354.564 0.954 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21)[NH+](C)C ZINC000960569911 674683586 /nfs/dbraw/zinc/68/35/86/674683586.db2.gz RWTKODRYAIMODI-XUWVNRHRSA-N 2 0 354.495 0.105 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000896707937 665103964 /nfs/dbraw/zinc/10/39/64/665103964.db2.gz KHRSTODEOJKCSX-GOSISDBHSA-N 2 0 352.523 0.485 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000984898864 665114424 /nfs/dbraw/zinc/11/44/24/665114424.db2.gz TUUTVJAVOCEIHQ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000984900142 665114723 /nfs/dbraw/zinc/11/47/23/665114723.db2.gz XBLGLFZRONWIJM-BHYGNILZSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897146367 665148089 /nfs/dbraw/zinc/14/80/89/665148089.db2.gz RMECPQNJPOUWOI-FGTMMUONSA-N 2 0 351.491 0.807 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000728793991 665165939 /nfs/dbraw/zinc/16/59/39/665165939.db2.gz VCZRFGYUFUKDMA-MRXNPFEDSA-N 2 0 369.579 0.831 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985440024 665167353 /nfs/dbraw/zinc/16/73/53/665167353.db2.gz CRXWAYMROJPXCN-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC000985441386 665167922 /nfs/dbraw/zinc/16/79/22/665167922.db2.gz ZAEFFCZJYMRHOG-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000897441293 665288318 /nfs/dbraw/zinc/28/83/18/665288318.db2.gz BTERQSSTAPMCEO-KZNAEPCWSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000938038911 665312598 /nfs/dbraw/zinc/31/25/98/665312598.db2.gz HKNWRKREWNADRB-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000906561100 666056051 /nfs/dbraw/zinc/05/60/51/666056051.db2.gz TYUFGEHBEYIRTP-QGZVFWFLSA-N 2 0 350.507 0.875 20 0 FCADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000906713703 666063340 /nfs/dbraw/zinc/06/33/40/666063340.db2.gz FMULTXCTFALKDC-KRWDZBQOSA-N 2 0 352.523 0.774 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000907457250 666133140 /nfs/dbraw/zinc/13/31/40/666133140.db2.gz RLHUULLSIOSZRK-UHFFFAOYSA-N 2 0 350.511 0.591 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1ccco1 ZINC000911004364 666304798 /nfs/dbraw/zinc/30/47/98/666304798.db2.gz YFURTMGHKNVHII-HUUCEWRRSA-N 2 0 350.463 0.976 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H]1c1cccs1 ZINC000911201465 666322993 /nfs/dbraw/zinc/32/29/93/666322993.db2.gz RJSMRVANMHYYQO-TZMCWYRMSA-N 2 0 350.488 0.855 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)C2)CC1 ZINC000911559826 666366062 /nfs/dbraw/zinc/36/60/62/666366062.db2.gz ZDZDAEQTAZHXLF-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C1 ZINC000912731731 666470927 /nfs/dbraw/zinc/47/09/27/666470927.db2.gz CABPDAYOWAPNNT-KRWDZBQOSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912811525 666479219 /nfs/dbraw/zinc/47/92/19/666479219.db2.gz KLZZMVGYBLRYPA-ZACQAIPSSA-N 2 0 352.523 0.975 20 0 FCADRP CCc1noc(C)c1CN1CC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001031769207 666497007 /nfs/dbraw/zinc/49/70/07/666497007.db2.gz IDFZOMABGIQGJB-SJKOYZFVSA-N 2 0 350.463 0.813 20 0 FCADRP C[NH+](C)C1CCN(CCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925337608 666523731 /nfs/dbraw/zinc/52/37/31/666523731.db2.gz IXLBBPZJHDGBJK-MRXNPFEDSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884975 666530901 /nfs/dbraw/zinc/53/09/01/666530901.db2.gz XQGAAXXUQLAKKK-ZMSDIMECSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940308151 666545987 /nfs/dbraw/zinc/54/59/87/666545987.db2.gz SKCTYJKKMYTMRT-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000941217555 666593601 /nfs/dbraw/zinc/59/36/01/666593601.db2.gz IXGBRLFZACIIAB-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@@H]12 ZINC000991974153 666611099 /nfs/dbraw/zinc/61/10/99/666611099.db2.gz LEKPEZRONXNCHJ-NTDBWNAOSA-N 2 0 351.491 0.999 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315808 666633203 /nfs/dbraw/zinc/63/32/03/666633203.db2.gz XDFQLJYBYPLZDY-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174716562 666633993 /nfs/dbraw/zinc/63/39/93/666633993.db2.gz RRJQDZPHPPCEEJ-ZDUSSCGKSA-N 2 0 367.519 0.743 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)CC[N@@H+]1C ZINC000992402439 666636439 /nfs/dbraw/zinc/63/64/39/666636439.db2.gz XUTPBCBVDUMHMA-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000419476989 674765835 /nfs/dbraw/zinc/76/58/35/674765835.db2.gz HCDGCJKRHWWNNK-IBGZPJMESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419482194 674768898 /nfs/dbraw/zinc/76/88/98/674768898.db2.gz PYEBPIZHHJJGSU-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCCNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731948110 666849899 /nfs/dbraw/zinc/84/98/99/666849899.db2.gz VETQBCHLLNHQLQ-UHFFFAOYSA-N 2 0 352.512 0.178 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCN(CC)C3=O)CC2)CC[N@@H+]1C ZINC000996604030 666945198 /nfs/dbraw/zinc/94/51/98/666945198.db2.gz QKPXBBPHIFIYEZ-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734468589 666969239 /nfs/dbraw/zinc/96/92/39/666969239.db2.gz TUSGLLPLALJZEK-GOSISDBHSA-N 2 0 352.523 0.775 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000917898661 667089895 /nfs/dbraw/zinc/08/98/95/667089895.db2.gz LQOXKCPFLCYOPD-UHFFFAOYSA-N 2 0 366.531 0.616 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000998790696 667221561 /nfs/dbraw/zinc/22/15/61/667221561.db2.gz CHVTZLZYANUMRR-XSCHDIRWSA-N 2 0 350.463 0.055 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000999188785 667229938 /nfs/dbraw/zinc/22/99/38/667229938.db2.gz CNYMLRIZSBFEJT-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC(NC(=S)NC[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000920309208 667234503 /nfs/dbraw/zinc/23/45/03/667234503.db2.gz AIHWFOPWEDRQHT-MRXNPFEDSA-N 2 0 369.579 0.199 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002248314 667526879 /nfs/dbraw/zinc/52/68/79/667526879.db2.gz OUUDOVGASALGOU-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001002530181 667546482 /nfs/dbraw/zinc/54/64/82/667546482.db2.gz UPQIOSMWVYIIIH-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)[NH+](C)C ZINC001003747297 667627679 /nfs/dbraw/zinc/62/76/79/667627679.db2.gz YLRWSBPSBVSJMR-NCOADZHNSA-N 2 0 350.507 0.917 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348719 667642596 /nfs/dbraw/zinc/64/25/96/667642596.db2.gz WVHFCKXFIJIQGV-ZWKOTPCHSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001033092423 667669681 /nfs/dbraw/zinc/66/96/81/667669681.db2.gz SXJSHBGZFRZWTA-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324236 667825148 /nfs/dbraw/zinc/82/51/48/667825148.db2.gz QWVWKTINMNMFKT-KRWDZBQOSA-N 2 0 350.507 0.241 20 0 FCADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000923352708 667827212 /nfs/dbraw/zinc/82/72/12/667827212.db2.gz ZZKHGMSJXMRQAE-MRVPVSSYSA-N 2 0 362.215 0.494 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503805 667842782 /nfs/dbraw/zinc/84/27/82/667842782.db2.gz OUTWHJTUHFIVKV-LSDHHAIUSA-N 2 0 354.495 0.949 20 0 FCADRP C[NH+]1CCC(CNC(=S)NCCCC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000760468038 667850483 /nfs/dbraw/zinc/85/04/83/667850483.db2.gz NYDXHFOSGFKXNK-UHFFFAOYSA-N 2 0 369.579 0.770 20 0 FCADRP C[NH+]1CCC(CNC(=S)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000760493459 667851569 /nfs/dbraw/zinc/85/15/69/667851569.db2.gz OKVQMTLEPUHJAD-QGZVFWFLSA-N 2 0 353.580 0.915 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH2+]CC1 ZINC000923601992 667872431 /nfs/dbraw/zinc/87/24/31/667872431.db2.gz BSBXUDWXNFWXOX-AWEZNQCLSA-N 2 0 358.533 0.700 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000761676980 667893384 /nfs/dbraw/zinc/89/33/84/667893384.db2.gz GBQYCYPVOWFGHU-CVEARBPZSA-N 2 0 354.495 0.384 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CN(C(=O)OC)C1 ZINC000770425673 668192270 /nfs/dbraw/zinc/19/22/70/668192270.db2.gz JRVCGICOXHQECK-OAHLLOKOSA-N 2 0 355.483 0.495 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000776254765 668254775 /nfs/dbraw/zinc/25/47/75/668254775.db2.gz VLDYBEOQFRPQQD-UHFFFAOYSA-N 2 0 351.377 0.458 20 0 FCADRP C[C@@H]1CCC[NH+]1CCNC(=O)COCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783917496 668636884 /nfs/dbraw/zinc/63/68/84/668636884.db2.gz ALPSZBDCNPPXDL-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000790051871 668871128 /nfs/dbraw/zinc/87/11/28/668871128.db2.gz XTRKAYNSPDXBQF-CYBMUJFWSA-N 2 0 357.524 0.824 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000818782853 668945487 /nfs/dbraw/zinc/94/54/87/668945487.db2.gz TUFDKICZGHCKGX-JJTUDDRGSA-N 2 0 352.479 0.137 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCCCC1 ZINC000793728584 668946087 /nfs/dbraw/zinc/94/60/87/668946087.db2.gz VQZWLAIWJBTYDM-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CON(C)C(=O)CC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000819017091 668970495 /nfs/dbraw/zinc/97/04/95/668970495.db2.gz FSBOJWPTBOTIEY-UHFFFAOYSA-N 2 0 350.467 0.378 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=S)NCCCN2CCOCC2)CC1 ZINC000819022803 668971155 /nfs/dbraw/zinc/97/11/55/668971155.db2.gz ZURIJFZPXPEPPR-UHFFFAOYSA-N 2 0 358.552 0.626 20 0 FCADRP C[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058044 668975326 /nfs/dbraw/zinc/97/53/26/668975326.db2.gz CYWZRFXRUJKVPX-MAUKXSAKSA-N 2 0 358.527 0.735 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819135022 668982929 /nfs/dbraw/zinc/98/29/29/668982929.db2.gz RZHPQPNVRLZVHH-GOSISDBHSA-N 2 0 358.527 0.878 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819135023 668983060 /nfs/dbraw/zinc/98/30/60/668983060.db2.gz RZHPQPNVRLZVHH-SFHVURJKSA-N 2 0 358.527 0.878 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000819288140 668994336 /nfs/dbraw/zinc/99/43/36/668994336.db2.gz VMCUGNDNXPOWKX-QGZVFWFLSA-N 2 0 369.531 0.739 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055370 669356474 /nfs/dbraw/zinc/35/64/74/669356474.db2.gz MVGUAQWHNDCAQV-CVEARBPZSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055373 669356609 /nfs/dbraw/zinc/35/66/09/669356609.db2.gz MVGUAQWHNDCAQV-JKSUJKDBSA-N 2 0 354.495 0.012 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000828516707 669648756 /nfs/dbraw/zinc/64/87/56/669648756.db2.gz USPYAZIJHPAONZ-SFHVURJKSA-N 2 0 353.438 0.961 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccnc1F ZINC000832195874 669891319 /nfs/dbraw/zinc/89/13/19/669891319.db2.gz WHNSBISETSOUSH-UHFFFAOYSA-N 2 0 353.442 0.891 20 0 FCADRP O=C1C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1CCCO ZINC000840737522 670517372 /nfs/dbraw/zinc/51/73/72/670517372.db2.gz DNOCUDUEHMIECV-INIZCTEOSA-N 2 0 353.463 0.073 20 0 FCADRP C[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000841725329 670606677 /nfs/dbraw/zinc/60/66/77/670606677.db2.gz MHUFGOHGZFVEKF-HZPDHXFCSA-N 2 0 353.511 0.890 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843363983 670807217 /nfs/dbraw/zinc/80/72/17/670807217.db2.gz HVCPHTVFEFPZCE-UHFFFAOYSA-N 2 0 352.460 0.348 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364946 670808053 /nfs/dbraw/zinc/80/80/53/670808053.db2.gz WZKPHDGTSUUJIV-OLZOCXBDSA-N 2 0 351.451 0.332 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844179174 670905810 /nfs/dbraw/zinc/90/58/10/670905810.db2.gz REHWEPYFRMTMJG-KSZLIROESA-N 2 0 352.523 0.772 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000968015874 675178737 /nfs/dbraw/zinc/17/87/37/675178737.db2.gz SANICWUUGUTARF-ZMSDIMECSA-N 2 0 350.507 0.728 20 0 FCADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000852741648 671522947 /nfs/dbraw/zinc/52/29/47/671522947.db2.gz XRBGCJSGZGLOFT-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000852746656 671523195 /nfs/dbraw/zinc/52/31/95/671523195.db2.gz NWZOMPCWCHCLKL-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000852746081 671523201 /nfs/dbraw/zinc/52/32/01/671523201.db2.gz DNBQXFBGTPDWGZ-VGWMRTNUSA-N 2 0 352.479 0.735 20 0 FCADRP CON(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000856013932 671674173 /nfs/dbraw/zinc/67/41/73/671674173.db2.gz BPWZXLVBSDUIGA-CVEARBPZSA-N 2 0 354.495 0.851 20 0 FCADRP C[Si](C)(CC[NH+]1CCOC[C@H]1CCO)CC[N@@H+]1CCOC[C@H]1CCO ZINC000859216451 671801733 /nfs/dbraw/zinc/80/17/33/671801733.db2.gz JLXATLFCKGUHAF-QZTJIDSGSA-N 2 0 374.598 0.861 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275343 671807394 /nfs/dbraw/zinc/80/73/94/671807394.db2.gz HWKZUGDSAXZHLR-BRSBDYLESA-N 2 0 374.598 0.045 20 0 FCADRP NC(=O)C1(N2CCCCC2)CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783559 675973050 /nfs/dbraw/zinc/97/30/50/675973050.db2.gz ZEIRTDFEUOPWLZ-AEFFLSMTSA-N 2 0 350.507 0.561 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000863752312 672149796 /nfs/dbraw/zinc/14/97/96/672149796.db2.gz CVTMBDXYKAOQQV-GFCCVEGCSA-N 2 0 356.417 0.661 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CCOCC1 ZINC000864790705 672210937 /nfs/dbraw/zinc/21/09/37/672210937.db2.gz FTNJVWLGAQMADE-DZGCQCFKSA-N 2 0 350.467 0.561 20 0 FCADRP CC[S@](C)(=O)=NS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000866385045 672270322 /nfs/dbraw/zinc/27/03/22/672270322.db2.gz HEKQJPHMGDXTBC-NRFANRHFSA-N 2 0 356.558 0.554 20 0 FCADRP O=S(=O)(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000923607220 672425793 /nfs/dbraw/zinc/42/57/93/672425793.db2.gz YPKZTUFPMSBNBI-KRWDZBQOSA-N 2 0 352.504 0.291 20 0 FCADRP COC1CC[NH+](C2(CNS(=O)(=O)N3CC[NH2+]CC3)CCCC2)CC1 ZINC000923608810 672427419 /nfs/dbraw/zinc/42/74/19/672427419.db2.gz RJWIPJYPANPWTO-UHFFFAOYSA-N 2 0 360.524 0.150 20 0 FCADRP C/C=C(/C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055556057 676023867 /nfs/dbraw/zinc/02/38/67/676023867.db2.gz DVENWONNTUGULN-HFRZQLDCSA-N 2 0 350.507 0.990 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000870919372 672520513 /nfs/dbraw/zinc/52/05/13/672520513.db2.gz VWRJXPLOUQIZGP-UHFFFAOYSA-N 2 0 351.520 0.977 20 0 FCADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141328 672593919 /nfs/dbraw/zinc/59/39/19/672593919.db2.gz FSVKCSYDMPVVMW-SJORKVTESA-N 2 0 351.491 0.716 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2=CC[N@H+](CCO)CC2)CC1 ZINC001000691861 676059117 /nfs/dbraw/zinc/05/91/17/676059117.db2.gz BTNLKOFCQCHBTO-MSOLQXFVSA-N 2 0 351.491 0.474 20 0 FCADRP COC[C@@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C[NH2+]CCO1 ZINC000876709572 672973993 /nfs/dbraw/zinc/97/39/93/672973993.db2.gz VCFKRYRBKSKSFB-FUHWJXTLSA-N 2 0 351.447 0.419 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878589147 673068143 /nfs/dbraw/zinc/06/81/43/673068143.db2.gz FRGVPPPBQCYRFS-MRXNPFEDSA-N 2 0 374.551 0.287 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000879249120 673107099 /nfs/dbraw/zinc/10/70/99/673107099.db2.gz FHLBMGDPHZJYEU-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001051622988 676106649 /nfs/dbraw/zinc/10/66/49/676106649.db2.gz BHGOHFIIENPYCA-XOKHGSTOSA-N 2 0 350.438 0.878 20 0 FCADRP Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624403 676107223 /nfs/dbraw/zinc/10/72/23/676107223.db2.gz PKRXHNGFKDPIDT-HZSPNIEDSA-N 2 0 353.492 0.504 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001052394855 676122945 /nfs/dbraw/zinc/12/29/45/676122945.db2.gz FVQAUUROISJHJF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883385697 673372612 /nfs/dbraw/zinc/37/26/12/673372612.db2.gz QWARWNQILFKHRS-SJORKVTESA-N 2 0 353.511 0.175 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883439365 673375476 /nfs/dbraw/zinc/37/54/76/673375476.db2.gz PTZDIZUQNXLVOL-LVQVYYBASA-N 2 0 351.447 0.582 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000883657499 673389447 /nfs/dbraw/zinc/38/94/47/673389447.db2.gz DRDHBGSMNVURIV-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000883898205 673402210 /nfs/dbraw/zinc/40/22/10/673402210.db2.gz VNMZLUBFDVLAJA-KRWDZBQOSA-N 2 0 356.511 0.849 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884286052 673443830 /nfs/dbraw/zinc/44/38/30/673443830.db2.gz WXAZKGRJZVHPRL-LSDHHAIUSA-N 2 0 367.291 0.955 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000884305611 673445188 /nfs/dbraw/zinc/44/51/88/673445188.db2.gz AWOFSIGEXLMIPB-LSDHHAIUSA-N 2 0 359.536 0.590 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413256 673452110 /nfs/dbraw/zinc/45/21/10/673452110.db2.gz NPHHVVWIRZLMSU-LSDHHAIUSA-N 2 0 367.291 0.955 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884491027 673456960 /nfs/dbraw/zinc/45/69/60/673456960.db2.gz LPGHRHUVKFXFJI-VXGBXAGGSA-N 2 0 365.503 0.476 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000884553707 673461685 /nfs/dbraw/zinc/46/16/85/673461685.db2.gz FRXWGXLCSMXZFU-GHMZBOCLSA-N 2 0 363.487 0.228 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884555391 673461963 /nfs/dbraw/zinc/46/19/63/673461963.db2.gz QGVCNMASUYKZLB-URBCHYCLSA-N 2 0 362.396 0.181 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884555392 673462006 /nfs/dbraw/zinc/46/20/06/673462006.db2.gz QGVCNMASUYKZLB-WFFHOREQSA-N 2 0 362.396 0.181 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884603289 673465050 /nfs/dbraw/zinc/46/50/50/673465050.db2.gz GMTHQPGFQFJVHP-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1CC1 ZINC000884601646 673465098 /nfs/dbraw/zinc/46/50/98/673465098.db2.gz REOZQJIQHNRDAR-UHFFFAOYSA-N 2 0 351.476 0.087 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000884601694 673465129 /nfs/dbraw/zinc/46/51/29/673465129.db2.gz SPMGCQJOAQWHSM-ZYHUDNBSSA-N 2 0 350.385 0.183 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601473 673465140 /nfs/dbraw/zinc/46/51/40/673465140.db2.gz MDDVBABEAOLVFZ-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884616690 673466391 /nfs/dbraw/zinc/46/63/91/673466391.db2.gz ANCRCQIMWLUTAE-GFCCVEGCSA-N 2 0 365.503 0.477 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCCC1 ZINC000884632840 673468038 /nfs/dbraw/zinc/46/80/38/673468038.db2.gz FRXTXTXASRVCHC-MUJYYYPQSA-N 2 0 350.507 0.871 20 0 FCADRP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884656781 673470146 /nfs/dbraw/zinc/47/01/46/673470146.db2.gz TXNVQFGXSSSFOD-CQSZACIVSA-N 2 0 354.495 0.202 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884658846 673470368 /nfs/dbraw/zinc/47/03/68/673470368.db2.gz AGXJBLYIGZLTNQ-VXGBXAGGSA-N 2 0 352.401 0.430 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884659491 673470376 /nfs/dbraw/zinc/47/03/76/673470376.db2.gz UEIZWMXQSZPKKX-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884658845 673470388 /nfs/dbraw/zinc/47/03/88/673470388.db2.gz AGXJBLYIGZLTNQ-RYUDHWBXSA-N 2 0 352.401 0.430 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000884670324 673471298 /nfs/dbraw/zinc/47/12/98/673471298.db2.gz WGQKKYUXSWUVSW-XQHKEYJVSA-N 2 0 362.396 0.325 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884787461 673482350 /nfs/dbraw/zinc/48/23/50/673482350.db2.gz SJOTWGCHHHPDCH-SRVKXCTJSA-N 2 0 350.385 0.183 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000884797186 673482865 /nfs/dbraw/zinc/48/28/65/673482865.db2.gz QPNFWKSOCUCICK-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[NH2+]C1 ZINC000884876372 673488006 /nfs/dbraw/zinc/48/80/06/673488006.db2.gz AFWOBSIKOMIZMI-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000884910697 673490496 /nfs/dbraw/zinc/49/04/96/673490496.db2.gz BSUVROMXVFDFDF-LDKKBFSKSA-N 2 0 354.495 0.236 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000885008924 673497614 /nfs/dbraw/zinc/49/76/14/673497614.db2.gz UIFDKKUBVRKNHR-UUAJXVIYSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144176 673505679 /nfs/dbraw/zinc/50/56/79/673505679.db2.gz BBLCESZYISUFFL-HNNXBMFYSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000885276624 673511383 /nfs/dbraw/zinc/51/13/83/673511383.db2.gz SGVZWPXFNGRTCL-HZSPNIEDSA-N 2 0 360.449 0.584 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285762 673512273 /nfs/dbraw/zinc/51/22/73/673512273.db2.gz SSCXGTQYRHEEQV-KBPBESRZSA-N 2 0 360.449 0.538 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885290164 673512807 /nfs/dbraw/zinc/51/28/07/673512807.db2.gz BZPKEVRADKBVJD-CQSZACIVSA-N 2 0 360.449 0.682 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000886837165 673601655 /nfs/dbraw/zinc/60/16/55/673601655.db2.gz BYLMCNBTNZCOLE-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CCN(C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068849 673618759 /nfs/dbraw/zinc/61/87/59/673618759.db2.gz SJHMLWBKAGHGPB-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000717554564 673627540 /nfs/dbraw/zinc/62/75/40/673627540.db2.gz AEMYGFSKQQLGPL-UHFFFAOYSA-N 2 0 366.531 0.980 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749501 673684843 /nfs/dbraw/zinc/68/48/43/673684843.db2.gz IGPXJNRRCNHWLW-MSOLQXFVSA-N 2 0 352.523 0.460 20 0 FCADRP C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890143525 673707896 /nfs/dbraw/zinc/70/78/96/673707896.db2.gz UYFZYQYLXJYIDO-KRWDZBQOSA-N 2 0 353.511 0.130 20 0 FCADRP C[NH+](C)CCN1CCC(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924465379 673753550 /nfs/dbraw/zinc/75/35/50/673753550.db2.gz SCYDCROSERKLEK-INIZCTEOSA-N 2 0 351.495 0.419 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cn1 ZINC000925581784 673794196 /nfs/dbraw/zinc/79/41/96/673794196.db2.gz VANDWKPVHXADQG-PASATYPHSA-N 2 0 365.503 0.159 20 0 FCADRP CCN1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000925961058 673806634 /nfs/dbraw/zinc/80/66/34/673806634.db2.gz TXTWSONQGUBUSQ-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP CCOCCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000927534691 673866373 /nfs/dbraw/zinc/86/63/73/673866373.db2.gz IQROLUBUIXGSKS-KRWDZBQOSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927638472 673873568 /nfs/dbraw/zinc/87/35/68/673873568.db2.gz BLMFSEFAHSDWLD-VYDXJSESSA-N 2 0 354.495 0.336 20 0 FCADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000929506804 673959929 /nfs/dbraw/zinc/95/99/29/673959929.db2.gz QBBXRZBXBAHCJN-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H](C)C(N)=O)CC3)CC[N@@H+]1C ZINC001040707958 675469132 /nfs/dbraw/zinc/46/91/32/675469132.db2.gz MKGGMAHRAJKBAC-HRCADAONSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900612652 675699733 /nfs/dbraw/zinc/69/97/33/675699733.db2.gz CPDNQVPCITVQEI-WWDZGPRUSA-N 2 0 352.523 0.630 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900686908 675707471 /nfs/dbraw/zinc/70/74/71/675707471.db2.gz PJPYKLASJKBFFB-GOSISDBHSA-N 2 0 353.555 0.545 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900693931 675708347 /nfs/dbraw/zinc/70/83/47/675708347.db2.gz BPSOWTDUWVPXBG-MRXNPFEDSA-N 2 0 350.511 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001046329258 675708621 /nfs/dbraw/zinc/70/86/21/675708621.db2.gz NGLLWLGMUNREAA-MDZRGWNJSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000900841990 675722924 /nfs/dbraw/zinc/72/29/24/675722924.db2.gz FVNJDYWUAVJUGX-SFHVURJKSA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(F)(F)F)[NH+](C)C ZINC000901085849 675752400 /nfs/dbraw/zinc/75/24/00/675752400.db2.gz MYXVMQCAOYVENM-SRVKXCTJSA-N 2 0 354.417 0.830 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528365 675859510 /nfs/dbraw/zinc/85/95/10/675859510.db2.gz VYEVAWTZYJVOGA-NWHWRWDZSA-N 2 0 350.507 0.820 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897484893 1192186608 /nfs/dbraw/zinc/18/66/08/1192186608.db2.gz YAIRXIFHFJAAIO-SOLBZPMBSA-N 2 0 371.485 0.862 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)CCC1 ZINC000969508800 1167996680 /nfs/dbraw/zinc/99/66/80/1167996680.db2.gz QRYGXULSDWGDQI-CABCVRRESA-N 2 0 366.506 0.033 20 0 FCADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001167095934 1168204874 /nfs/dbraw/zinc/20/48/74/1168204874.db2.gz OXGVAHZSYDNOMY-FGTMMUONSA-N 2 0 358.486 0.658 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)cc1 ZINC001083193676 1168275894 /nfs/dbraw/zinc/27/58/94/1168275894.db2.gz CQQFUKVYPZFZSU-RBUKOAKNSA-N 2 0 361.486 0.698 20 0 FCADRP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000077823537 1168297911 /nfs/dbraw/zinc/29/79/11/1168297911.db2.gz CDLSGMJHZHYLDA-UHFFFAOYSA-N 2 0 373.501 0.835 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)[C@H]1CCN(C(C)C)C1=O ZINC001266418381 1168424152 /nfs/dbraw/zinc/42/41/52/1168424152.db2.gz XXHFKXONXBZUFI-OAGGEKHMSA-N 2 0 361.490 0.971 20 0 FCADRP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2ccc(N4CC[NH2+]CC4)nn2)C3)cc1 ZINC001167205059 1168447466 /nfs/dbraw/zinc/44/74/66/1168447466.db2.gz CQXIAYJXPAZUQT-XLIONFOSSA-N 2 0 350.470 0.864 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000970266933 1168676308 /nfs/dbraw/zinc/67/63/08/1168676308.db2.gz REODCPZWIVGYCX-ZACQAIPSSA-N 2 0 368.522 0.135 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104265050 1168847625 /nfs/dbraw/zinc/84/76/25/1168847625.db2.gz QXKNUZJWLLXJKN-KFWWJZLASA-N 2 0 367.494 0.130 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NC[C@@H]3C[C@@H]3C(=O)OC)CC2)CC1 ZINC000891233227 1169770574 /nfs/dbraw/zinc/77/05/74/1169770574.db2.gz ZZFGGBGMQPYMNO-RDJZCZTQSA-N 2 0 366.506 0.997 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001021699286 1169894453 /nfs/dbraw/zinc/89/44/53/1169894453.db2.gz NRXQBTWOMSMUGW-RLFYNMQTSA-N 2 0 371.485 0.772 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001021711767 1169913619 /nfs/dbraw/zinc/91/36/19/1169913619.db2.gz CHYAWJDQUIHIFF-YESZJQIVSA-N 2 0 359.474 0.593 20 0 FCADRP CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001279477116 1170048845 /nfs/dbraw/zinc/04/88/45/1170048845.db2.gz HPSCDMHNOZYAHA-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364227 1170063155 /nfs/dbraw/zinc/06/31/55/1170063155.db2.gz SFDPCSQCWXBZRQ-JKJDWNRSSA-N 2 0 363.462 0.190 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCC1 ZINC000891384046 1170224985 /nfs/dbraw/zinc/22/49/85/1170224985.db2.gz DJZSIZHGQDAJSN-FPCVCCKLSA-N 2 0 365.478 0.295 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCC1 ZINC000891384052 1170225156 /nfs/dbraw/zinc/22/51/56/1170225156.db2.gz DJZSIZHGQDAJSN-QXSJWSMHSA-N 2 0 365.478 0.295 20 0 FCADRP CC(C)[C@]1(CO)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000581474588 1170364205 /nfs/dbraw/zinc/36/42/05/1170364205.db2.gz LLGHKWZWQJBDOT-LJQANCHMSA-N 2 0 370.538 0.195 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022038114 1170455896 /nfs/dbraw/zinc/45/58/96/1170455896.db2.gz IIMVEEKLCXBNTD-BPQIPLTHSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCc2cc(N)cc[nH+]2)CC1 ZINC000891443195 1170498586 /nfs/dbraw/zinc/49/85/86/1170498586.db2.gz BTYODVLDPMMXOJ-UHFFFAOYSA-N 2 0 355.446 0.810 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891445936 1170526887 /nfs/dbraw/zinc/52/68/87/1170526887.db2.gz MVKPOVLTUGVJPD-UHFFFAOYSA-N 2 0 358.490 0.999 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971573159 1170559652 /nfs/dbraw/zinc/55/96/52/1170559652.db2.gz QHKSVCOXFSREQC-OWCLPIDISA-N 2 0 364.490 0.398 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001022109497 1170674020 /nfs/dbraw/zinc/67/40/20/1170674020.db2.gz NWOZDBNCJNUIGG-LJISPDSOSA-N 2 0 362.478 0.275 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217222 1170765178 /nfs/dbraw/zinc/76/51/78/1170765178.db2.gz GUFLNPWZWKKUST-GOEBONIOSA-N 2 0 357.458 0.416 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673268 1170804382 /nfs/dbraw/zinc/80/43/82/1170804382.db2.gz JATOWBCBKSYGAE-ZIRHEVKLSA-N 2 0 363.462 0.046 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691225848 1170871184 /nfs/dbraw/zinc/87/11/84/1170871184.db2.gz GZSLBVWUTLPNCK-USXIJHARSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087175359 1170872586 /nfs/dbraw/zinc/87/25/86/1170872586.db2.gz JNHICHSCQBMXKS-VNQPRFMTSA-N 2 0 364.490 0.493 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001691247312 1170885274 /nfs/dbraw/zinc/88/52/74/1170885274.db2.gz SFKDQBLRJHRSHK-DOTOQJQBSA-N 2 0 352.523 0.975 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001691328136 1171107932 /nfs/dbraw/zinc/10/79/32/1171107932.db2.gz PBEYDOLZZKCAAQ-UKRRQHHQSA-N 2 0 367.519 0.833 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691382406 1171243534 /nfs/dbraw/zinc/24/35/34/1171243534.db2.gz SOIQQCVYKLQPDN-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891954874 1171247317 /nfs/dbraw/zinc/24/73/17/1171247317.db2.gz VTETYPRKCWTKNI-OAGGEKHMSA-N 2 0 365.478 0.437 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]32)CC[N@@H+]1C ZINC001022472713 1171250713 /nfs/dbraw/zinc/25/07/13/1171250713.db2.gz YPJCJJMNAUNYSM-LUKYLMHMSA-N 2 0 359.474 0.673 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972801 1171367934 /nfs/dbraw/zinc/36/79/34/1171367934.db2.gz LISFSFMJJCPMJI-MJGOQNOKSA-N 2 0 359.518 0.959 20 0 FCADRP NC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999353 1171456825 /nfs/dbraw/zinc/45/68/25/1171456825.db2.gz BLPOZFDEZBFHBM-OLZOCXBDSA-N 2 0 371.489 0.873 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000892093961 1171574290 /nfs/dbraw/zinc/57/42/90/1171574290.db2.gz XZGKQVJMPNUZHX-ROUUACIJSA-N 2 0 367.538 0.600 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892100809 1171580525 /nfs/dbraw/zinc/58/05/25/1171580525.db2.gz NITXIXVMMSJCRF-GOSISDBHSA-N 2 0 365.522 0.392 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892213645 1171750594 /nfs/dbraw/zinc/75/05/94/1171750594.db2.gz FXEJHTCKIHKXKG-XHSDSOJGSA-N 2 0 367.494 0.541 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087208600 1171823103 /nfs/dbraw/zinc/82/31/03/1171823103.db2.gz NMACUBIGEDGWJH-KBMXLJTQSA-N 2 0 364.490 0.350 20 0 FCADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746148 1171852458 /nfs/dbraw/zinc/85/24/58/1171852458.db2.gz FXWQGJSLPUNQDF-XDNAFOTISA-N 2 0 368.485 0.897 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001022747990 1171855705 /nfs/dbraw/zinc/85/57/05/1171855705.db2.gz OJZCTNBMHRJLGP-HCXYKTFWSA-N 2 0 368.485 0.860 20 0 FCADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC001022747235 1171855851 /nfs/dbraw/zinc/85/58/51/1171855851.db2.gz ZUTUJCGRIIIJLV-JFRXWTBNSA-N 2 0 368.485 0.897 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557641 1172075454 /nfs/dbraw/zinc/07/54/54/1172075454.db2.gz ZFEBZFWCMOXAIJ-KSZLIROESA-N 2 0 358.486 0.753 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C[C@H]21 ZINC001272133904 1192560287 /nfs/dbraw/zinc/56/02/87/1192560287.db2.gz CYHBNCUDDZROCE-CVEARBPZSA-N 2 0 360.462 0.079 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000897716645 1192843687 /nfs/dbraw/zinc/84/36/87/1192843687.db2.gz HVSOETKOLNTFCG-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000898129008 1192858972 /nfs/dbraw/zinc/85/89/72/1192858972.db2.gz XLDKRAMZYLXTQH-HOTGVXAUSA-N 2 0 359.474 0.719 20 0 FCADRP CC(C)n1nnnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001087245808 1179956324 /nfs/dbraw/zinc/95/63/24/1179956324.db2.gz LPPDNEVFGGQJGN-PMPSAXMXSA-N 2 0 363.510 0.922 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211616082 1179987325 /nfs/dbraw/zinc/98/73/25/1179987325.db2.gz VKTDADGMJFSNTH-ZWKOTPCHSA-N 2 0 358.486 0.801 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC000892378832 1180004392 /nfs/dbraw/zinc/00/43/92/1180004392.db2.gz VVRJZVFCEQHSLG-HNNXBMFYSA-N 2 0 366.510 0.117 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000127942769 1180035551 /nfs/dbraw/zinc/03/55/51/1180035551.db2.gz KLEKQLFNHBUCOZ-HOCLYGCPSA-N 2 0 357.462 0.900 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@H]32)CCC1 ZINC000972640792 1180098591 /nfs/dbraw/zinc/09/85/91/1180098591.db2.gz RWUIKCMRSXUGDP-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000080152977 1180422485 /nfs/dbraw/zinc/42/24/85/1180422485.db2.gz BESQNXZLCXGPDR-QGZVFWFLSA-N 2 0 369.554 0.670 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112518912 1180852544 /nfs/dbraw/zinc/85/25/44/1180852544.db2.gz JBAKDQDCMDZHGZ-KSSFIOAISA-N 2 0 367.494 0.002 20 0 FCADRP CCN(CC)C(=O)CN1CCCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892473147 1181241377 /nfs/dbraw/zinc/24/13/77/1181241377.db2.gz OVAGZUFIZAUJPA-UHFFFAOYSA-N 2 0 365.522 0.938 20 0 FCADRP CCCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000548926095 1181338329 /nfs/dbraw/zinc/33/83/29/1181338329.db2.gz URRGNJIDIDQZCQ-IAGOWNOFSA-N 2 0 374.485 0.875 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)nn1 ZINC000892522650 1181727227 /nfs/dbraw/zinc/72/72/27/1181727227.db2.gz JDTXTWCPUMZTPB-SFHVURJKSA-N 2 0 367.457 0.882 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001929 1181847751 /nfs/dbraw/zinc/84/77/51/1181847751.db2.gz VSNTVFJZRPETDC-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972992956 1181860691 /nfs/dbraw/zinc/86/06/91/1181860691.db2.gz SHTQGYZPUBAFMV-KBAYOESNSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000973328187 1182236937 /nfs/dbraw/zinc/23/69/37/1182236937.db2.gz VQFFSPIPZZOXDM-KBUPBQIOSA-N 2 0 359.474 0.865 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC001104599667 1182267604 /nfs/dbraw/zinc/26/76/04/1182267604.db2.gz WKWGSEIJZIEJHM-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCc1ccco1 ZINC001104621642 1182291234 /nfs/dbraw/zinc/29/12/34/1182291234.db2.gz JEUQPHCHKKJYFO-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)Nc1cnccn1 ZINC001104622465 1182297104 /nfs/dbraw/zinc/29/71/04/1182297104.db2.gz YOEJQIRMOIXACF-HUUCEWRRSA-N 2 0 362.478 0.441 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nnc2n1CCOC2 ZINC001104622375 1182297698 /nfs/dbraw/zinc/29/76/98/1182297698.db2.gz VGSGGVPADGIHRU-HUUCEWRRSA-N 2 0 364.494 0.334 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000973549955 1182384001 /nfs/dbraw/zinc/38/40/01/1182384001.db2.gz CXZWIBPOUFFICP-OXGONZEZSA-N 2 0 359.474 0.771 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000893050001 1182868766 /nfs/dbraw/zinc/86/87/66/1182868766.db2.gz GRQZAOBADBYPML-SJLPKXTDSA-N 2 0 370.538 0.879 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104872638 1182970355 /nfs/dbraw/zinc/97/03/55/1182970355.db2.gz RRLRZPDULNDRSK-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001104908323 1182990655 /nfs/dbraw/zinc/99/06/55/1182990655.db2.gz ROQPOPLUAVEOPO-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908405 1182991067 /nfs/dbraw/zinc/99/10/67/1182991067.db2.gz VSAQEJCYNMRASP-IAGOWNOFSA-N 2 0 370.538 0.506 20 0 FCADRP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)on1 ZINC001104908472 1182991074 /nfs/dbraw/zinc/99/10/74/1182991074.db2.gz YCGXIXSZBRAXIY-HUUCEWRRSA-N 2 0 368.478 0.836 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104932771 1183007327 /nfs/dbraw/zinc/00/73/27/1183007327.db2.gz NCBWMRCSTVSXDG-QLFBSQMISA-N 2 0 369.510 0.376 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@@H+]1C ZINC000974190169 1183041841 /nfs/dbraw/zinc/04/18/41/1183041841.db2.gz CQWJJHFQXZYYQY-PHSQPZKOSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001105014640 1183069417 /nfs/dbraw/zinc/06/94/17/1183069417.db2.gz VBRZUXGUHDGWDB-IAGOWNOFSA-N 2 0 366.506 0.015 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001105014527 1183069499 /nfs/dbraw/zinc/06/94/99/1183069499.db2.gz ULXGAZKWOHXKOH-KZNAEPCWSA-N 2 0 363.506 0.414 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105066913 1183101232 /nfs/dbraw/zinc/10/12/32/1183101232.db2.gz GFFZKNMZCSVPPO-KFWWJZLASA-N 2 0 367.494 0.130 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC000974444442 1183215939 /nfs/dbraw/zinc/21/59/39/1183215939.db2.gz NAYNHSMPOCINAA-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1 ZINC000974571194 1183352112 /nfs/dbraw/zinc/35/21/12/1183352112.db2.gz NCKQZOZYRPFPKX-BRWVUGGUSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000974582513 1183361644 /nfs/dbraw/zinc/36/16/44/1183361644.db2.gz XVUHQSPTQQXTPA-GVDBMIGSSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974585456 1183364534 /nfs/dbraw/zinc/36/45/34/1183364534.db2.gz YXIRSLPBHZNUCA-BRWVUGGUSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585113 1183365232 /nfs/dbraw/zinc/36/52/32/1183365232.db2.gz URRKVXUYQJHKDM-BRWVUGGUSA-N 2 0 360.502 0.626 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001026916372 1183490582 /nfs/dbraw/zinc/49/05/82/1183490582.db2.gz GUCUFHZSIOZPIN-UMVBOHGHSA-N 2 0 362.478 0.339 20 0 FCADRP [NH3+]CCOCCOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000198046769 1183505654 /nfs/dbraw/zinc/50/56/54/1183505654.db2.gz ZBJPTIHUNBLKLZ-UHFFFAOYSA-N 2 0 365.482 0.476 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211660180 1183546614 /nfs/dbraw/zinc/54/66/14/1183546614.db2.gz YDIJGAOPLMRHKN-DLBZAZTESA-N 2 0 358.486 0.658 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000975212603 1183774515 /nfs/dbraw/zinc/77/45/15/1183774515.db2.gz WFTJEXPMFPTFMD-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000975313088 1183834238 /nfs/dbraw/zinc/83/42/38/1183834238.db2.gz YLIFZLFDLIQQHG-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211695348 1186219768 /nfs/dbraw/zinc/21/97/68/1186219768.db2.gz XPVZIWLVSJTRAN-OKZBNKHCSA-N 2 0 358.486 0.801 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211695349 1186220419 /nfs/dbraw/zinc/22/04/19/1186220419.db2.gz XPVZIWLVSJTRAN-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691496319 1186229921 /nfs/dbraw/zinc/22/99/21/1186229921.db2.gz UHAIRHWDJWWJMX-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP CCn1cc(CC[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001027965373 1186239694 /nfs/dbraw/zinc/23/96/94/1186239694.db2.gz ADDUCYQDAWJMBH-KBAYOESNSA-N 2 0 363.506 0.745 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1ccccc1 ZINC001211696563 1186253374 /nfs/dbraw/zinc/25/33/74/1186253374.db2.gz KBDASNNGIVNXIQ-JKSUJKDBSA-N 2 0 355.442 0.673 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001745426618 1186554217 /nfs/dbraw/zinc/55/42/17/1186554217.db2.gz YPOJATVIYHWGKP-ARFHVFGLSA-N 2 0 361.490 0.973 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211703004 1186597788 /nfs/dbraw/zinc/59/77/88/1186597788.db2.gz PGGPSKCKWHXGKO-OKZBNKHCSA-N 2 0 358.486 0.801 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211722277 1187469981 /nfs/dbraw/zinc/46/99/81/1187469981.db2.gz DBAVZZFZPZEUHD-RYQLBKOJSA-N 2 0 358.486 0.801 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211730137 1187511908 /nfs/dbraw/zinc/51/19/08/1187511908.db2.gz QLSKSEZWWPDWTK-ZWKOTPCHSA-N 2 0 358.486 0.932 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001028553015 1187604594 /nfs/dbraw/zinc/60/45/94/1187604594.db2.gz YSZJNNHULJYZAP-VNQPRFMTSA-N 2 0 361.494 0.676 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000420159460 1187800037 /nfs/dbraw/zinc/80/00/37/1187800037.db2.gz CPPGAPYGCKXEDR-KRWDZBQOSA-N 2 0 362.449 0.971 20 0 FCADRP CN(CC(=O)N1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1)C(N)=[NH2+] ZINC001269992291 1187961782 /nfs/dbraw/zinc/96/17/82/1187961782.db2.gz FPRQZPIMUNGRMK-SFHVURJKSA-N 2 0 361.494 0.413 20 0 FCADRP CN(CC(=O)N1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1)C(N)=[NH2+] ZINC001269992643 1187962257 /nfs/dbraw/zinc/96/22/57/1187962257.db2.gz SSDQYHWBUUVXTE-UHFFFAOYSA-N 2 0 361.494 0.413 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001270062009 1187986240 /nfs/dbraw/zinc/98/62/40/1187986240.db2.gz USCBFOIBMDZLPV-PVAVHDDUSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(C(=O)C[NH+]2CCCC2)CC3)CC1 ZINC001270096148 1188005492 /nfs/dbraw/zinc/00/54/92/1188005492.db2.gz RJBDNAJTSPUJAV-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001270453968 1188152871 /nfs/dbraw/zinc/15/28/71/1188152871.db2.gz KZEJALUVRIQXEP-UHFFFAOYSA-N 2 0 366.506 0.108 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)NCCn3ccnc3)CC2)C1 ZINC001270491729 1188172838 /nfs/dbraw/zinc/17/28/38/1188172838.db2.gz XDMMVMRRIZJTLQ-HOTGVXAUSA-N 2 0 359.474 0.580 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001270667348 1188246542 /nfs/dbraw/zinc/24/65/42/1188246542.db2.gz KVRRUPANEZHTBD-QYZOEREBSA-N 2 0 360.502 0.802 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC000983705687 1188277143 /nfs/dbraw/zinc/27/71/43/1188277143.db2.gz ZDJCRWPXMHKNQB-KLHDSHLOSA-N 2 0 360.506 0.939 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000550311584 1188318515 /nfs/dbraw/zinc/31/85/15/1188318515.db2.gz MAHUAKPVLYOUTA-IAGOWNOFSA-N 2 0 368.522 0.329 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000550371455 1188343128 /nfs/dbraw/zinc/34/31/28/1188343128.db2.gz AHXZYZHTOMWYSJ-GOSISDBHSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983807726 1188348809 /nfs/dbraw/zinc/34/88/09/1188348809.db2.gz YOQMOQFXVNSTBX-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075784994 1188358470 /nfs/dbraw/zinc/35/84/70/1188358470.db2.gz NTXOUEFDDMTRNL-GVDBMIGSSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001075800188 1189366677 /nfs/dbraw/zinc/36/66/77/1189366677.db2.gz RRZJFIMCFBBLIL-GBESFXJTSA-N 2 0 370.497 0.760 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)CC1 ZINC001029312601 1189371549 /nfs/dbraw/zinc/37/15/49/1189371549.db2.gz JAZLHBBWHQSQIV-HCXYKTFWSA-N 2 0 365.518 0.791 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)n1 ZINC001075804139 1189394784 /nfs/dbraw/zinc/39/47/84/1189394784.db2.gz XPJSOJDWYKTQLU-SOLBZPMBSA-N 2 0 361.490 0.628 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087659106 1189710289 /nfs/dbraw/zinc/71/02/89/1189710289.db2.gz MUGJWFMRHFVDLT-YESZJQIVSA-N 2 0 360.462 0.418 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)Cc3cncn3C)C2)CC[N@@H+]1C ZINC000984409946 1189838045 /nfs/dbraw/zinc/83/80/45/1189838045.db2.gz WLICMONADMLERA-HLLBOEOZSA-N 2 0 361.490 0.752 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908779 1189894432 /nfs/dbraw/zinc/89/44/32/1189894432.db2.gz NEOGUZSPTUXAIU-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CCC[C@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008282 1189913712 /nfs/dbraw/zinc/91/37/12/1189913712.db2.gz CCIFCUGMKUSOPX-IRXDYDNUSA-N 2 0 374.489 0.731 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)CC1 ZINC001087969216 1190025634 /nfs/dbraw/zinc/02/56/34/1190025634.db2.gz IVWKLXXKWYDTHG-HCXYKTFWSA-N 2 0 365.518 0.506 20 0 FCADRP COC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969531 1190026486 /nfs/dbraw/zinc/02/64/86/1190026486.db2.gz AACNBYJAJZTZDF-BBWFWOEESA-N 2 0 363.506 0.874 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087970560 1190036544 /nfs/dbraw/zinc/03/65/44/1190036544.db2.gz CWEJCRQQUYZMKI-WCXIOVBPSA-N 2 0 363.506 0.132 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469091 1190064615 /nfs/dbraw/zinc/06/46/15/1190064615.db2.gz UWCIXMDFVYEOOW-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896748649 1190121179 /nfs/dbraw/zinc/12/11/79/1190121179.db2.gz KPDQJDYWUZNGGC-KSZLIROESA-N 2 0 366.506 0.480 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992456 1190143748 /nfs/dbraw/zinc/14/37/48/1190143748.db2.gz WSEGPWVROCXOHG-SQNIBIBYSA-N 2 0 364.534 0.833 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001087993270 1190144266 /nfs/dbraw/zinc/14/42/66/1190144266.db2.gz HXHLJMOXQWQWTR-GJYPPUQNSA-N 2 0 362.518 0.728 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999228 1190169137 /nfs/dbraw/zinc/16/91/37/1190169137.db2.gz BVAYPLHOMHWTNW-SQNIBIBYSA-N 2 0 360.506 0.933 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088011508 1190210955 /nfs/dbraw/zinc/21/09/55/1190210955.db2.gz QXSOTEOGDDTKIF-OWCLPIDISA-N 2 0 364.490 0.256 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)C[NH+]1CCCC1 ZINC000984921252 1190278643 /nfs/dbraw/zinc/27/86/43/1190278643.db2.gz RJSXBAQUXHCZGD-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@@H]3C2)C1=O ZINC001088041848 1190300019 /nfs/dbraw/zinc/30/00/19/1190300019.db2.gz MBHQEBFSXAOVLZ-UWWQBHOKSA-N 2 0 367.453 0.959 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106653 1190593402 /nfs/dbraw/zinc/59/34/02/1190593402.db2.gz KZKYUQIPKAUPIM-VCBZYWHSSA-N 2 0 368.497 0.725 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088130566 1190631175 /nfs/dbraw/zinc/63/11/75/1190631175.db2.gz VAKXBIUIECLKAO-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130469 1190632871 /nfs/dbraw/zinc/63/28/71/1190632871.db2.gz ORLDALRROURVCF-NXHRZFHOSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CCN1C(=O)Cn1ccnc1C ZINC000985143378 1190636692 /nfs/dbraw/zinc/63/66/92/1190636692.db2.gz ZBLLZUDRVRWORC-JKSUJKDBSA-N 2 0 358.446 0.892 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC1 ZINC001088150734 1190675095 /nfs/dbraw/zinc/67/50/95/1190675095.db2.gz SVCARWRFONWHMS-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001271855218 1190731887 /nfs/dbraw/zinc/73/18/87/1190731887.db2.gz ZHQNYTPCRNKXPQ-NRSFXHEJSA-N 2 0 362.518 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCn3cccn3)C2)CC[N@@H+]1C ZINC001691529310 1190812274 /nfs/dbraw/zinc/81/22/74/1190812274.db2.gz YXIIEBUTVDYEKO-KZNAEPCWSA-N 2 0 363.506 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)CC[C@@H]3C2)C1 ZINC000986135793 1190906099 /nfs/dbraw/zinc/90/60/99/1190906099.db2.gz WRORWUMOJDVFKW-ZACQAIPSSA-N 2 0 360.502 0.341 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)C1 ZINC000986418480 1190983676 /nfs/dbraw/zinc/98/36/76/1190983676.db2.gz LYAZBEHYQSWWSD-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001075887200 1191132667 /nfs/dbraw/zinc/13/26/67/1191132667.db2.gz AIKXWPGXJHHGMD-FUHWJXTLSA-N 2 0 358.486 0.902 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988197971 1191161704 /nfs/dbraw/zinc/16/17/04/1191161704.db2.gz QUEKDEIYZCJGSO-OIISXLGYSA-N 2 0 360.502 0.530 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2CN(CCOCC3CC3)C[C@@H]21 ZINC001217923282 1224132047 /nfs/dbraw/zinc/13/20/47/1224132047.db2.gz KAVAGNMXBUOFCB-CEXWTWQISA-N 2 0 363.502 0.666 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089240 1224140068 /nfs/dbraw/zinc/14/00/68/1224140068.db2.gz ILFFPVKSVXWGDI-ADLMAVQZSA-N 2 0 364.446 0.672 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089244 1224140224 /nfs/dbraw/zinc/14/02/24/1224140224.db2.gz ILFFPVKSVXWGDI-VOJFVSQTSA-N 2 0 364.446 0.672 20 0 FCADRP COC(=O)[C@H](Cc1ccc(O[C@H]2CC[NH2+]C2)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001218184177 1224146200 /nfs/dbraw/zinc/14/62/00/1224146200.db2.gz ZQJMNOTUHVBJSF-ULQDDVLXSA-N 2 0 363.458 0.611 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc1)C(N)=O ZINC001218337607 1224154578 /nfs/dbraw/zinc/15/45/78/1224154578.db2.gz NXPDJZCFBWWOTD-BZSNNMDCSA-N 2 0 374.485 0.479 20 0 FCADRP CN(C)C(=O)CN1CC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001276786216 1224161312 /nfs/dbraw/zinc/16/13/12/1224161312.db2.gz FNAQHXHQQJZOIO-UHFFFAOYSA-N 2 0 359.474 0.774 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218488618 1224163234 /nfs/dbraw/zinc/16/32/34/1224163234.db2.gz YRLDSLPEORMTKF-CYBMUJFWSA-N 2 0 372.425 0.984 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000550682345 1193733002 /nfs/dbraw/zinc/73/30/02/1193733002.db2.gz YSKMPBJJWYYQIV-INIZCTEOSA-N 2 0 368.522 0.282 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)NCC1CCC1 ZINC001691585469 1193741045 /nfs/dbraw/zinc/74/10/45/1193741045.db2.gz XREIYFVFPQEKMW-MSOLQXFVSA-N 2 0 362.518 0.779 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccncc1Oc1ccccc1 ZINC001218511066 1224166206 /nfs/dbraw/zinc/16/62/06/1224166206.db2.gz BQGALIWCTUOHAD-MRXNPFEDSA-N 2 0 355.442 0.985 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1nccnc1C1CC1 ZINC001218534505 1224168751 /nfs/dbraw/zinc/16/87/51/1224168751.db2.gz DJVZTNXNHXTLDA-KBPBESRZSA-N 2 0 360.462 0.740 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551135279 1193835080 /nfs/dbraw/zinc/83/50/80/1193835080.db2.gz BZXPVMHTDWKZLK-ULQDDVLXSA-N 2 0 366.506 0.299 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550687 1224171920 /nfs/dbraw/zinc/17/19/20/1224171920.db2.gz JSPVWFVXPBSJGC-DLBZAZTESA-N 2 0 361.490 0.216 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CCN1C ZINC000551346775 1193851351 /nfs/dbraw/zinc/85/13/51/1193851351.db2.gz DKSSKZHTUBNTEF-MRXNPFEDSA-N 2 0 361.490 0.677 20 0 FCADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469665 1193864816 /nfs/dbraw/zinc/86/48/16/1193864816.db2.gz CPKXOCDSMVWGHY-YRXWBPOGSA-N 2 0 365.518 0.861 20 0 FCADRP CC(C)[C@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105666360 1193890236 /nfs/dbraw/zinc/89/02/36/1193890236.db2.gz DXFBYDPAUHSOBN-VIPLHTEESA-N 2 0 365.518 0.431 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CCn1cccn1 ZINC001088757360 1193892213 /nfs/dbraw/zinc/89/22/13/1193892213.db2.gz VAJAAKQIKVAGQO-DLOULFILSA-N 2 0 359.474 0.325 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnc2c1CCC2 ZINC001218620227 1224183557 /nfs/dbraw/zinc/18/35/57/1224183557.db2.gz JOWZILOMBKYVKE-YOEHRIQHSA-N 2 0 359.474 0.378 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639323 1224186676 /nfs/dbraw/zinc/18/66/76/1224186676.db2.gz DLRMBVLDLCFLRR-SFHVURJKSA-N 2 0 365.441 0.781 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001218640846 1224188399 /nfs/dbraw/zinc/18/83/99/1224188399.db2.gz MEMWOPIICGBKID-KUHUBIRLSA-N 2 0 352.442 0.692 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000842229553 1194109175 /nfs/dbraw/zinc/10/91/75/1194109175.db2.gz QUUUWGUPNSZESK-UHFFFAOYSA-N 2 0 358.486 0.891 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@@H]21 ZINC000842230193 1194109443 /nfs/dbraw/zinc/10/94/43/1194109443.db2.gz WMCKKQKTEVNMMV-ROUUACIJSA-N 2 0 358.486 0.747 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000899229605 1194122451 /nfs/dbraw/zinc/12/24/51/1194122451.db2.gz CQLPDQVIBPBEGY-MJGOQNOKSA-N 2 0 364.534 0.916 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000899229604 1194122778 /nfs/dbraw/zinc/12/27/78/1194122778.db2.gz CQLPDQVIBPBEGY-IEBWSBKVSA-N 2 0 364.534 0.916 20 0 FCADRP CCOC(=O)c1nc(C2CC2)oc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218672361 1224194425 /nfs/dbraw/zinc/19/44/25/1224194425.db2.gz VJDFIHRHRBDLIR-LBPRGKRZSA-N 2 0 365.434 0.418 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792293 1194164873 /nfs/dbraw/zinc/16/48/73/1194164873.db2.gz RJOMSHIBVFALAW-NNFUDEMPSA-N 2 0 363.506 0.465 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724438 1224205590 /nfs/dbraw/zinc/20/55/90/1224205590.db2.gz RJQOZLOFQHDSMX-INIZCTEOSA-N 2 0 362.478 0.581 20 0 FCADRP [NH3+]C1(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)CCC2(CC1)OCCO2 ZINC001218728098 1224206162 /nfs/dbraw/zinc/20/61/62/1224206162.db2.gz SBYZRMKEGWPXFJ-CQSZACIVSA-N 2 0 362.430 0.775 20 0 FCADRP O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218738363 1224208923 /nfs/dbraw/zinc/20/89/23/1224208923.db2.gz ZSJOXDWTUXMBHE-AUUYWEPGSA-N 2 0 370.457 0.761 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247065 1194365720 /nfs/dbraw/zinc/36/57/20/1194365720.db2.gz XFOLHKQPFAUUIB-RRFJBIMHSA-N 2 0 362.474 0.056 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242770 1194369260 /nfs/dbraw/zinc/36/92/60/1194369260.db2.gz QUUHZEJRGVAZDT-JCGIZDLHSA-N 2 0 360.506 0.769 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323898 1194396467 /nfs/dbraw/zinc/39/64/67/1194396467.db2.gz JUTDADHHCWXQNS-UWWQBHOKSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323897 1194397101 /nfs/dbraw/zinc/39/71/01/1194397101.db2.gz JUTDADHHCWXQNS-QILLFSRXSA-N 2 0 362.518 0.918 20 0 FCADRP CCOC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794928 1224214081 /nfs/dbraw/zinc/21/40/81/1224214081.db2.gz UWNFYTYHGIHHCZ-QMTMVMCOSA-N 2 0 369.506 0.611 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465771 1194509581 /nfs/dbraw/zinc/50/95/81/1194509581.db2.gz VAPXGTVUDBNVHD-GVDBMIGSSA-N 2 0 360.502 0.624 20 0 FCADRP CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218797625 1224225406 /nfs/dbraw/zinc/22/54/06/1224225406.db2.gz ICHSOXKFOUQNQL-BFUOFWGJSA-N 2 0 370.457 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)cc2F)CC1 ZINC001218889817 1224249404 /nfs/dbraw/zinc/24/94/04/1224249404.db2.gz NHDSWEQXEISCJF-KUHUBIRLSA-N 2 0 361.465 0.858 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001218911490 1224256065 /nfs/dbraw/zinc/25/60/65/1224256065.db2.gz FYOLWHNIVASGHW-DLBZAZTESA-N 2 0 362.474 0.139 20 0 FCADRP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015125 1195143476 /nfs/dbraw/zinc/14/34/76/1195143476.db2.gz CPKXOCDSMVWGHY-MKXGPGLRSA-N 2 0 365.518 0.861 20 0 FCADRP C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218943753 1224268321 /nfs/dbraw/zinc/26/83/21/1224268321.db2.gz ACEMGDODJGDCGB-WBMJQRKESA-N 2 0 372.473 0.236 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131517 1195247485 /nfs/dbraw/zinc/24/74/85/1195247485.db2.gz DVNLJRUDUFKLHR-KZNAEPCWSA-N 2 0 363.506 0.387 20 0 FCADRP CC(C)CNC(=O)c1cccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218956436 1224272040 /nfs/dbraw/zinc/27/20/40/1224272040.db2.gz GNBUQHVZSPAFTJ-QGZVFWFLSA-N 2 0 361.490 0.761 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CCC1 ZINC001077308671 1195410855 /nfs/dbraw/zinc/41/08/55/1195410855.db2.gz GFKYZAUOIFMJKW-KZNAEPCWSA-N 2 0 358.442 0.924 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396116 1195494871 /nfs/dbraw/zinc/49/48/71/1195494871.db2.gz OUFXRAHAVBKFFX-ZTFGCOKTSA-N 2 0 358.442 0.926 20 0 FCADRP CC1(C)CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418542 1195518506 /nfs/dbraw/zinc/51/85/06/1195518506.db2.gz UCDXMVXSNADDPY-ARLDDLHVSA-N 2 0 363.502 0.447 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580165 1195528558 /nfs/dbraw/zinc/52/85/58/1195528558.db2.gz UINPORQTDCSDCN-JQHSSLGASA-N 2 0 362.474 0.424 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591394 1195590971 /nfs/dbraw/zinc/59/09/71/1195590971.db2.gz ATWZFZXXPMWELI-QGTPRVQTSA-N 2 0 358.442 0.844 20 0 FCADRP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000906150966 1195615762 /nfs/dbraw/zinc/61/57/62/1195615762.db2.gz SDTCUZDSEBNVNL-SFHVURJKSA-N 2 0 373.545 0.807 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)C1 ZINC000906604681 1195641520 /nfs/dbraw/zinc/64/15/20/1195641520.db2.gz FLXCVNRPADUIIR-QGZVFWFLSA-N 2 0 365.522 0.620 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000906668464 1195643342 /nfs/dbraw/zinc/64/33/42/1195643342.db2.gz CFMNPAZFAYSGRA-HNNXBMFYSA-N 2 0 360.458 0.655 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000907835947 1195714787 /nfs/dbraw/zinc/71/47/87/1195714787.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 0 369.506 0.831 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219025462 1224299220 /nfs/dbraw/zinc/29/92/20/1224299220.db2.gz KPONTGXDTJKXTL-OAHLLOKOSA-N 2 0 368.441 0.650 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC000910844176 1195849034 /nfs/dbraw/zinc/84/90/34/1195849034.db2.gz YQKKIXKZVBIQSB-INIZCTEOSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000910831638 1195850954 /nfs/dbraw/zinc/85/09/54/1195850954.db2.gz YBTLMTWBDTYDMS-WMZOPIPTSA-N 2 0 369.469 0.591 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCC1 ZINC000910961919 1195869229 /nfs/dbraw/zinc/86/92/29/1195869229.db2.gz HETVBPYEINWJEM-HNNXBMFYSA-N 2 0 360.458 0.556 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCC1 ZINC000910961920 1195869353 /nfs/dbraw/zinc/86/93/53/1195869353.db2.gz HETVBPYEINWJEM-OAHLLOKOSA-N 2 0 360.458 0.556 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000911080628 1195883887 /nfs/dbraw/zinc/88/38/87/1195883887.db2.gz PHCALIYILRKXNZ-INIZCTEOSA-N 2 0 360.458 0.001 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911072406 1195886207 /nfs/dbraw/zinc/88/62/07/1195886207.db2.gz KTRUMBWVATVCKV-OAHLLOKOSA-N 2 0 362.474 0.441 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000911099426 1195888756 /nfs/dbraw/zinc/88/87/56/1195888756.db2.gz DQZLAZXBPCLTAB-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911127704 1195893625 /nfs/dbraw/zinc/89/36/25/1195893625.db2.gz YDPYBKMTWXEQAL-DOTOQJQBSA-N 2 0 366.506 0.252 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000911149738 1195899033 /nfs/dbraw/zinc/89/90/33/1195899033.db2.gz KSWHSRMNNDFRRV-KSZLIROESA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911186781 1195904194 /nfs/dbraw/zinc/90/41/94/1195904194.db2.gz PVLJIEBFGXJGKN-ZJPYXAASSA-N 2 0 364.534 0.929 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911186330 1195904643 /nfs/dbraw/zinc/90/46/43/1195904643.db2.gz GSYLDPSFLYTAJQ-CEXWTWQISA-N 2 0 370.497 0.693 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000911243350 1195922060 /nfs/dbraw/zinc/92/20/60/1195922060.db2.gz OKSGBNLQEPARBX-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000911363375 1195942570 /nfs/dbraw/zinc/94/25/70/1195942570.db2.gz LLRUCUAABFSVSX-KRWDZBQOSA-N 2 0 358.486 0.665 20 0 FCADRP O=C(c1ccc2c(n1)C[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911705590 1196308593 /nfs/dbraw/zinc/30/85/93/1196308593.db2.gz NKEPBFIMLOUVOK-HNNXBMFYSA-N 2 0 357.458 0.011 20 0 FCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000911704367 1196308939 /nfs/dbraw/zinc/30/89/39/1196308939.db2.gz DCSCWPDSJYVXFT-GJZGRUSLSA-N 2 0 359.474 0.436 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083668980 1196392001 /nfs/dbraw/zinc/39/20/01/1196392001.db2.gz OMNATYOCVYAFOL-CEXWTWQISA-N 2 0 365.518 0.839 20 0 FCADRP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219090194 1224350590 /nfs/dbraw/zinc/35/05/90/1224350590.db2.gz LCZKJIYLYIEUER-LLVKDONJSA-N 2 0 358.377 0.325 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592560409 1196569282 /nfs/dbraw/zinc/56/92/82/1196569282.db2.gz NHENSYYKDJHGBW-SJORKVTESA-N 2 0 374.533 0.961 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116169 1224359986 /nfs/dbraw/zinc/35/99/86/1224359986.db2.gz LLBPXFVBPDOUGA-YOEHRIQHSA-N 2 0 361.490 0.913 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001219116118 1224360576 /nfs/dbraw/zinc/36/05/76/1224360576.db2.gz KMBNTJBQWVKMOG-SFHVURJKSA-N 3 0 373.501 0.488 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCN1CC(=O)N(C)C ZINC001088872123 1196821029 /nfs/dbraw/zinc/82/10/29/1196821029.db2.gz AMCGLKWEPFHWSW-YSHGAJCASA-N 2 0 372.513 0.999 20 0 FCADRP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219170770 1224372478 /nfs/dbraw/zinc/37/24/78/1224372478.db2.gz YSWWLADFTANUDS-HNNXBMFYSA-N 2 0 374.441 0.057 20 0 FCADRP N[C@]1(C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC001219193674 1224383567 /nfs/dbraw/zinc/38/35/67/1224383567.db2.gz IPUAEXUVXNGULV-MRXNPFEDSA-N 2 0 371.407 0.740 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000992400821 1197089265 /nfs/dbraw/zinc/08/92/65/1197089265.db2.gz NWYCKYKHNWRQPO-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)c1 ZINC000913757765 1197124922 /nfs/dbraw/zinc/12/49/22/1197124922.db2.gz UBLXNNSFSXWDKR-NSHGMRRFSA-N 2 0 361.486 0.767 20 0 FCADRP [NH3+][C@@H]1CCCN(c2ccc(NC(=O)CN3CCCC[C@H]([NH3+])C3=O)cc2)C1 ZINC001219232403 1224394899 /nfs/dbraw/zinc/39/48/99/1224394899.db2.gz BRLCWPZOKPWIOH-PBHICJAKSA-N 2 0 359.474 0.892 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000913996979 1197196240 /nfs/dbraw/zinc/19/62/40/1197196240.db2.gz DAGQCYLYEHLHGD-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219303347 1224419083 /nfs/dbraw/zinc/41/90/83/1224419083.db2.gz SESJLQNIKMULCV-HNNXBMFYSA-N 2 0 364.421 0.763 20 0 FCADRP CC(C)Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)n1 ZINC000784393494 1197544508 /nfs/dbraw/zinc/54/45/08/1197544508.db2.gz KLUQEJCPXWIQBY-UHFFFAOYSA-N 2 0 366.510 0.509 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106195816 1197621042 /nfs/dbraw/zinc/62/10/42/1197621042.db2.gz KHRNZOCVWVCUER-ZACQAIPSSA-N 2 0 370.513 0.973 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC000993050048 1197740962 /nfs/dbraw/zinc/74/09/62/1197740962.db2.gz ZZJWYCOVARWQDN-OXJNMPFZSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1 ZINC000993079773 1197803053 /nfs/dbraw/zinc/80/30/53/1197803053.db2.gz BYBDPHVZAWRKSR-ABSDTBQOSA-N 2 0 362.518 0.587 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589163 1197863995 /nfs/dbraw/zinc/86/39/95/1197863995.db2.gz FMIKSSSTCDCNHJ-CABCVRRESA-N 2 0 370.413 0.185 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323033 1197864063 /nfs/dbraw/zinc/86/40/63/1197864063.db2.gz VMIBCVQXROOJLB-KBAYOESNSA-N 2 0 368.522 0.308 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085393862 1197865538 /nfs/dbraw/zinc/86/55/38/1197865538.db2.gz NBTMOPFDULHFBB-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106346675 1197873806 /nfs/dbraw/zinc/87/38/06/1197873806.db2.gz NHUCZIPLKJKHBW-JFIYKMOQSA-N 2 0 364.490 0.599 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106371337 1197883030 /nfs/dbraw/zinc/88/30/30/1197883030.db2.gz XCNVVXHONVACPY-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855485 1197894019 /nfs/dbraw/zinc/89/40/19/1197894019.db2.gz FKBSZSNNNJARLH-NLWGTHIKSA-N 2 0 359.470 0.603 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1 ZINC000993154395 1197894174 /nfs/dbraw/zinc/89/41/74/1197894174.db2.gz FLUSIWOZQANGSE-FCEWJHQRSA-N 2 0 360.502 0.341 20 0 FCADRP CN1Cc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccc2N(C)C1=O ZINC001219396342 1224453229 /nfs/dbraw/zinc/45/32/29/1224453229.db2.gz UHSCWRZJFKKKEN-OAHLLOKOSA-N 2 0 360.462 0.377 20 0 FCADRP CC(C)N1CC[C@H]1C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273383967 1198075743 /nfs/dbraw/zinc/07/57/43/1198075743.db2.gz FEHPGMYIJCHOFC-LPHOPBHVSA-N 2 0 366.506 0.108 20 0 FCADRP CC(C)N1CC[C@H]1C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273383968 1198076800 /nfs/dbraw/zinc/07/68/00/1198076800.db2.gz FEHPGMYIJCHOFC-QFBILLFUSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@@H](C(=O)N1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1)[NH+](C)C ZINC001273404031 1198218129 /nfs/dbraw/zinc/21/81/29/1198218129.db2.gz RKBZSDGPQQNBJY-DOTOQJQBSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000744907637 1198340423 /nfs/dbraw/zinc/34/04/23/1198340423.db2.gz HMAALYBTTXDFGI-OAHLLOKOSA-N 2 0 361.490 0.833 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CC[NH2+]C[C@H]1F)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503145 1224490313 /nfs/dbraw/zinc/49/03/13/1224490313.db2.gz BXEGAYCTIIXBNH-QAMHXRKUSA-N 2 0 362.405 0.765 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000746384284 1199019379 /nfs/dbraw/zinc/01/93/79/1199019379.db2.gz YFQYZRKPTBFJEC-INIZCTEOSA-N 2 0 363.506 0.624 20 0 FCADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccccc1C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1 ZINC001169075504 1199044074 /nfs/dbraw/zinc/04/40/74/1199044074.db2.gz RZRGQJYLYATBCA-RBSFLKMASA-N 2 0 357.458 0.734 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134467 1199047574 /nfs/dbraw/zinc/04/75/74/1199047574.db2.gz UPZGHGWOHDJJFA-QDMKHBRRSA-N 2 0 361.490 0.949 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169137557 1199048315 /nfs/dbraw/zinc/04/83/15/1199048315.db2.gz CSQJJZAVOWKEGD-BCDXTJNWSA-N 2 0 372.513 0.962 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134466 1199048923 /nfs/dbraw/zinc/04/89/23/1199048923.db2.gz UPZGHGWOHDJJFA-FICVDOATSA-N 2 0 361.490 0.949 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219616775 1224529757 /nfs/dbraw/zinc/52/97/57/1224529757.db2.gz CSTHXRZVMUPARB-LZLYRXPVSA-N 2 0 363.433 0.515 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219616776 1224529926 /nfs/dbraw/zinc/52/99/26/1224529926.db2.gz CSTHXRZVMUPARB-XYJFISCASA-N 2 0 363.433 0.515 20 0 FCADRP C[NH+]1CCN(c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C[C@@H]3F)c(F)c2)CC1 ZINC001219625904 1224535308 /nfs/dbraw/zinc/53/53/08/1224535308.db2.gz HLBBQLRXOUAGBY-FUHWJXTLSA-N 2 0 368.428 0.370 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001219650091 1224546231 /nfs/dbraw/zinc/54/62/31/1224546231.db2.gz MBURNNJIRLJIMU-IYOUNJFTSA-N 2 0 371.485 0.516 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3[nH]2)C1 ZINC001219714568 1224571582 /nfs/dbraw/zinc/57/15/82/1224571582.db2.gz OYMPJNIVQKGKDO-OKDNKWQNSA-N 2 0 357.458 0.081 20 0 FCADRP N[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727158 1224579556 /nfs/dbraw/zinc/57/95/56/1224579556.db2.gz YEVBSUYTYJDGKH-NQIIRXRSSA-N 3 0 371.529 0.295 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725505 1224578341 /nfs/dbraw/zinc/57/83/41/1224578341.db2.gz FIIKVIJMNIPWBO-QRVBRYPASA-N 3 0 371.529 0.294 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219737329 1224585617 /nfs/dbraw/zinc/58/56/17/1224585617.db2.gz SZCJTBUADGXJRS-PBHICJAKSA-N 2 0 357.454 0.564 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NC[C@@H]3CC4(C[NH2+]C4)CO3)cc2)CC1 ZINC001219739361 1224586094 /nfs/dbraw/zinc/58/60/94/1224586094.db2.gz MRGPDGMWJJMYSE-KRWDZBQOSA-N 2 0 372.469 0.358 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219739564 1224586513 /nfs/dbraw/zinc/58/65/13/1224586513.db2.gz RJTNGVZXSMSMGS-OXFYSEKESA-N 2 0 356.470 0.207 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001129384762 1200088774 /nfs/dbraw/zinc/08/87/74/1200088774.db2.gz ALPBDPMDEKPPAA-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385967 1200110222 /nfs/dbraw/zinc/11/02/22/1200110222.db2.gz ULJKVVLSKGDWGB-DJAVDHGHSA-N 2 0 364.494 0.554 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219748763 1224592903 /nfs/dbraw/zinc/59/29/03/1224592903.db2.gz AZJLGBAIYYLTEI-HZPDHXFCSA-N 2 0 354.458 0.781 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001219749878 1224595076 /nfs/dbraw/zinc/59/50/76/1224595076.db2.gz SIMVHXMSCYCHDJ-GJZGRUSLSA-N 2 0 356.430 0.197 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC21CC[NH2+]CC1 ZINC001219757809 1224597048 /nfs/dbraw/zinc/59/70/48/1224597048.db2.gz VGRYYFBOFLXVFO-JQFCIGGWSA-N 2 0 374.485 0.002 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001109402265 1200249697 /nfs/dbraw/zinc/24/96/97/1200249697.db2.gz LHNHCODTVOAJAB-VUHPKUFZSA-N 2 0 358.486 0.947 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219765905 1224602089 /nfs/dbraw/zinc/60/20/89/1224602089.db2.gz HAUTUJJDYAQGES-QRKMNUTDSA-N 2 0 369.513 0.122 20 0 FCADRP O=C(NC[C@]1(F)CCC[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219771399 1224606632 /nfs/dbraw/zinc/60/66/32/1224606632.db2.gz MEEUTIVAJHUPTC-PBHICJAKSA-N 2 0 362.409 0.212 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469651 1200311539 /nfs/dbraw/zinc/31/15/39/1200311539.db2.gz BXCWYULNJBLUQI-OWSLCNJRSA-N 2 0 362.474 0.637 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001219782971 1224611036 /nfs/dbraw/zinc/61/10/36/1224611036.db2.gz OMEHRNRVEGIDMC-DLBZAZTESA-N 2 0 354.454 0.747 20 0 FCADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219790597 1224613332 /nfs/dbraw/zinc/61/33/32/1224613332.db2.gz JXVBXJYBIAHAHB-AWEZNQCLSA-N 2 0 374.514 0.894 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109717140 1200475025 /nfs/dbraw/zinc/47/50/25/1200475025.db2.gz BFUFMCZAZAJMKE-BGTYHANMSA-N 2 0 366.506 0.345 20 0 FCADRP [NH3+]C1(C(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)CCC2(CC1)OCCO2 ZINC001219788372 1224613671 /nfs/dbraw/zinc/61/36/71/1224613671.db2.gz QJOCYEAKBRWGLZ-HNNXBMFYSA-N 2 0 362.474 0.728 20 0 FCADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219791966 1224614818 /nfs/dbraw/zinc/61/48/18/1224614818.db2.gz XTMAGJQIDDIJAO-LPHOPBHVSA-N 2 0 359.518 0.788 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000771317721 1200559730 /nfs/dbraw/zinc/55/97/30/1200559730.db2.gz WRSSLIJFAAKSRK-IRXDYDNUSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219799861 1224620325 /nfs/dbraw/zinc/62/03/25/1224620325.db2.gz FCXUYBKHVXKUOG-RDJZCZTQSA-N 2 0 362.474 0.501 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801112 1224621273 /nfs/dbraw/zinc/62/12/73/1224621273.db2.gz SPXGDXHLFAGEPE-NVXWUHKLSA-N 2 0 370.453 0.434 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)c2ccco2)CC1 ZINC001219801403 1224621495 /nfs/dbraw/zinc/62/14/95/1224621495.db2.gz ZEMGGOZRWLGGOW-RHSMWYFYSA-N 2 0 362.474 0.629 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802728 1224622671 /nfs/dbraw/zinc/62/26/71/1224622671.db2.gz BCDGOSHUTRAFBP-DOTOQJQBSA-N 2 0 354.454 0.989 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803561 1224622936 /nfs/dbraw/zinc/62/29/36/1224622936.db2.gz XIQNCFQSYPFRTL-DOTOQJQBSA-N 2 0 354.454 0.989 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219802737 1224623118 /nfs/dbraw/zinc/62/31/18/1224623118.db2.gz BEDPZSZRHBEVMF-UWVAXJGDSA-N 2 0 370.497 0.597 20 0 FCADRP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001109979104 1200661255 /nfs/dbraw/zinc/66/12/55/1200661255.db2.gz SXRBFHKGLOHBON-SQNIBIBYSA-N 2 0 363.506 0.745 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001109982621 1200675292 /nfs/dbraw/zinc/67/52/92/1200675292.db2.gz LMGVZQNACREELP-OWSLCNJRSA-N 2 0 363.502 0.999 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001109982517 1200675509 /nfs/dbraw/zinc/67/55/09/1200675509.db2.gz GUQJRJLZMASWPA-BDXSIMOUSA-N 2 0 363.502 0.999 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NCc2noc3c2C[NH2+]CC3)c2ccco2)CC1 ZINC001219809018 1224627138 /nfs/dbraw/zinc/62/71/38/1224627138.db2.gz BYPCAOMIELFYOG-QGZVFWFLSA-N 2 0 359.430 0.694 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219814115 1224629544 /nfs/dbraw/zinc/62/95/44/1224629544.db2.gz SWZVRWTYBCZCIK-OTWHNJEPSA-N 2 0 361.486 0.236 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813685 1224630049 /nfs/dbraw/zinc/63/00/49/1224630049.db2.gz ZHMFDIUXHFJILG-NSHGMRRFSA-N 2 0 358.486 0.203 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cccn2)C1 ZINC001112563720 1200795017 /nfs/dbraw/zinc/79/50/17/1200795017.db2.gz KGZNFGQUBPGQRI-HKUYNNGSSA-N 2 0 363.506 0.680 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112563482 1200795792 /nfs/dbraw/zinc/79/57/92/1200795792.db2.gz XDYHMAUVHWLLMP-GUXCAODWSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112563978 1200800486 /nfs/dbraw/zinc/80/04/86/1200800486.db2.gz XHYJKWWRUMIXLZ-FCEWJHQRSA-N 2 0 366.506 0.062 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112568001 1200802092 /nfs/dbraw/zinc/80/20/92/1200802092.db2.gz RXEHJFYDJWZHME-KHYOSLBOSA-N 2 0 364.490 0.352 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001112578374 1200816721 /nfs/dbraw/zinc/81/67/21/1200816721.db2.gz LUDSFEVCZXYEDC-UWVAXJGDSA-N 2 0 362.518 0.779 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111450 1200863916 /nfs/dbraw/zinc/86/39/16/1200863916.db2.gz YQAGRNLAMGKLTF-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NC[C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)cc2)CC1 ZINC001219833299 1224644758 /nfs/dbraw/zinc/64/47/58/1224644758.db2.gz BHHWEPGICAILFB-NXHRZFHOSA-N 2 0 372.469 0.357 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001219837293 1224647260 /nfs/dbraw/zinc/64/72/60/1224647260.db2.gz IYFQLRAUGYPPHV-PXNSSMCTSA-N 2 0 373.497 0.819 20 0 FCADRP O=C1O[C@]2(CN1CN1CC[NH+](C3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364993 1201068829 /nfs/dbraw/zinc/06/88/29/1201068829.db2.gz GYQSLQZHGWXXGS-IBGZPJMESA-N 2 0 364.490 0.657 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219847849 1224652494 /nfs/dbraw/zinc/65/24/94/1224652494.db2.gz ARBJLUOBGXPMCR-QYZOEREBSA-N 2 0 363.502 0.985 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852204 1224653919 /nfs/dbraw/zinc/65/39/19/1224653919.db2.gz OFACUNWTZPNSFS-PCODUJHASA-N 2 0 354.454 0.845 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219852501 1224655533 /nfs/dbraw/zinc/65/55/33/1224655533.db2.gz SZTGJXNMLCYHCZ-UDKQVLDHSA-N 2 0 370.497 0.453 20 0 FCADRP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001114296134 1201290957 /nfs/dbraw/zinc/29/09/57/1201290957.db2.gz IVACIRKBOLCZNA-GFEQUFNTSA-N 2 0 365.518 0.816 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129400431 1201306853 /nfs/dbraw/zinc/30/68/53/1201306853.db2.gz NZKAMLGZZKYFEX-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892132 1201415994 /nfs/dbraw/zinc/41/59/94/1201415994.db2.gz JOGJRIFCGJPVSF-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898204 1224674299 /nfs/dbraw/zinc/67/42/99/1224674299.db2.gz HILYNVXNZYVINY-ZIAGYGMSSA-N 2 0 362.409 0.165 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001129984943 1201463857 /nfs/dbraw/zinc/46/38/57/1201463857.db2.gz KJGSAJLCRXDLQF-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)c(C)n1 ZINC001129991945 1201470432 /nfs/dbraw/zinc/47/04/32/1201470432.db2.gz DMHRFYAAWKLOSX-MSOLQXFVSA-N 2 0 371.489 0.783 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006232 1201476147 /nfs/dbraw/zinc/47/61/47/1201476147.db2.gz YRTJRTYKDDWBKF-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001130034514 1201482295 /nfs/dbraw/zinc/48/22/95/1201482295.db2.gz RGZHATSLVSUEBU-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130046671 1201485570 /nfs/dbraw/zinc/48/55/70/1201485570.db2.gz NLHSBOQPBPSIQQ-IXDOHACOSA-N 2 0 366.510 0.368 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047462 1201486402 /nfs/dbraw/zinc/48/64/02/1201486402.db2.gz BXPCZIKNBYKJFZ-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130094421 1201498541 /nfs/dbraw/zinc/49/85/41/1201498541.db2.gz KJIIGAVHHKNXRI-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1)OC ZINC001130095086 1201498658 /nfs/dbraw/zinc/49/86/58/1201498658.db2.gz ZTIGDMRXXDWEMN-BBWFWOEESA-N 2 0 366.510 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1 ZINC001130096189 1201499069 /nfs/dbraw/zinc/49/90/69/1201499069.db2.gz AJGQCSKUWMNDGA-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+]2CCCCC2)[nH]1 ZINC001130251227 1201570560 /nfs/dbraw/zinc/57/05/60/1201570560.db2.gz JEHCOEJKMWSLRH-GJZGRUSLSA-N 2 0 364.494 0.779 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130298968 1201579985 /nfs/dbraw/zinc/57/99/85/1201579985.db2.gz PGCHCSFNWVPBHK-APWZRJJASA-N 2 0 368.522 0.186 20 0 FCADRP COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974616 1224710148 /nfs/dbraw/zinc/71/01/48/1224710148.db2.gz BFPYUQNIHLOHAB-HOTGVXAUSA-N 2 0 361.442 0.900 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987759 1224716617 /nfs/dbraw/zinc/71/66/17/1224716617.db2.gz ZHLOWWBDIQAOKQ-SJORKVTESA-N 2 0 359.430 0.469 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)COC1 ZINC001220023443 1224730322 /nfs/dbraw/zinc/73/03/22/1224730322.db2.gz YXFTULIXTZIQLP-RBUKOAKNSA-N 2 0 372.513 0.817 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH2+]C ZINC001220056107 1224739304 /nfs/dbraw/zinc/73/93/04/1224739304.db2.gz MWOKOCZNZPFTCH-KKXDTOCCSA-N 2 0 373.501 0.904 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130532119 1202710625 /nfs/dbraw/zinc/71/06/25/1202710625.db2.gz VGIFSOVOSGZYJH-JQHSSLGASA-N 2 0 363.506 0.825 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130607446 1202733776 /nfs/dbraw/zinc/73/37/76/1202733776.db2.gz BBCNYBJZXQMNLG-JQHSSLGASA-N 2 0 363.506 0.681 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672539 1202752402 /nfs/dbraw/zinc/75/24/02/1202752402.db2.gz RRWFYZALJOBGDU-YQQAZPJKSA-N 2 0 365.522 0.663 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672564 1202752489 /nfs/dbraw/zinc/75/24/89/1202752489.db2.gz SYXUBMQSFXGFQE-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001130737179 1202769710 /nfs/dbraw/zinc/76/97/10/1202769710.db2.gz WGMGKNPUHLXIMH-FUHWJXTLSA-N 2 0 363.506 0.563 20 0 FCADRP COC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130804349 1202800754 /nfs/dbraw/zinc/80/07/54/1202800754.db2.gz DXXVXHNLRFMACR-MELADBBJSA-N 2 0 368.482 0.217 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000807026404 1202807212 /nfs/dbraw/zinc/80/72/12/1202807212.db2.gz RSCBZAHBYJDJKW-MRXNPFEDSA-N 2 0 366.506 0.347 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCn1cccn1 ZINC001131061588 1202853939 /nfs/dbraw/zinc/85/39/39/1202853939.db2.gz HCBVXYSDTQBEMG-HZPDHXFCSA-N 2 0 359.478 0.153 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055670 1202855090 /nfs/dbraw/zinc/85/50/90/1202855090.db2.gz HJCCPLFHWJZMOH-HZPDHXFCSA-N 2 0 363.506 0.682 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070402 1202856316 /nfs/dbraw/zinc/85/63/16/1202856316.db2.gz UBYYNDMCMTZJHO-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108344 1202864500 /nfs/dbraw/zinc/86/45/00/1202864500.db2.gz QMORSEVIFMNFJF-ARFHVFGLSA-N 2 0 369.485 0.630 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121351 1202866080 /nfs/dbraw/zinc/86/60/80/1202866080.db2.gz UHNJXAWEYWRGNO-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131316719 1202886264 /nfs/dbraw/zinc/88/62/64/1202886264.db2.gz SWSPDSXVAQJRSU-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1)[NH+](C)C ZINC001131570657 1202915570 /nfs/dbraw/zinc/91/55/70/1202915570.db2.gz LXIZPYYAZUWAAZ-BDXSIMOUSA-N 2 0 371.522 0.320 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1 ZINC001131597212 1202919758 /nfs/dbraw/zinc/91/97/58/1202919758.db2.gz QUICWGGYXORVEC-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086734201 1203061309 /nfs/dbraw/zinc/06/13/09/1203061309.db2.gz XKSBTENUQRNOCI-XHSDSOJGSA-N 2 0 364.490 0.494 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001086737222 1203063556 /nfs/dbraw/zinc/06/35/56/1203063556.db2.gz BNYVDDUPTQASDM-BFHYXJOUSA-N 2 0 358.450 0.044 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000817402825 1203104799 /nfs/dbraw/zinc/10/47/99/1203104799.db2.gz XUAFMZJUDPWCRN-INIZCTEOSA-N 2 0 373.501 0.930 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001170877751 1203115066 /nfs/dbraw/zinc/11/50/66/1203115066.db2.gz GQFZZTHFJXXTQK-SOUVJXGZSA-N 2 0 366.510 0.603 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@H]1Cc1ccccc1 ZINC000817993310 1203132042 /nfs/dbraw/zinc/13/20/42/1203132042.db2.gz FGNHFZNEEKEVDP-NQIIRXRSSA-N 2 0 370.497 0.726 20 0 FCADRP C[NH+](C)CCOc1cc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)ccn1 ZINC000822862150 1203238963 /nfs/dbraw/zinc/23/89/63/1203238963.db2.gz IDTLWCZGNPABPC-UHFFFAOYSA-N 2 0 358.406 0.679 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107622 1203279140 /nfs/dbraw/zinc/27/91/40/1203279140.db2.gz PHYZXMDHMOINED-MHORFTMASA-N 2 0 369.506 0.339 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143682594 1203325315 /nfs/dbraw/zinc/32/53/15/1203325315.db2.gz XKHXFXIKGUHKDE-MSOLQXFVSA-N 2 0 361.486 0.978 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000844192533 1203338597 /nfs/dbraw/zinc/33/85/97/1203338597.db2.gz WUWBTVOYGOKOQW-MOPGFXCFSA-N 2 0 360.502 0.860 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844189869 1203338843 /nfs/dbraw/zinc/33/88/43/1203338843.db2.gz WPLHQNPVDNZFPX-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001220159114 1224791314 /nfs/dbraw/zinc/79/13/14/1224791314.db2.gz MRKOZHGIKKMWRS-BBRMVZONSA-N 2 0 359.426 0.969 20 0 FCADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220158663 1224791908 /nfs/dbraw/zinc/79/19/08/1224791908.db2.gz CXOISKGVZILOJU-RVKKMQEKSA-N 2 0 358.490 0.568 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220225544 1224808770 /nfs/dbraw/zinc/80/87/70/1224808770.db2.gz HGFPJIXYXLIALV-VQIMIIECSA-N 2 0 371.441 0.213 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001220307183 1224824456 /nfs/dbraw/zinc/82/44/56/1224824456.db2.gz TZHFKYKNQOSSRJ-GOSISDBHSA-N 2 0 355.486 0.858 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000844225010 1204379752 /nfs/dbraw/zinc/37/97/52/1204379752.db2.gz TZPHZIRAVMITIB-UHFFFAOYSA-N 2 0 362.474 0.637 20 0 FCADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000844226525 1204380840 /nfs/dbraw/zinc/38/08/40/1204380840.db2.gz MTNWYPXJJHJSTQ-GOSISDBHSA-N 2 0 362.474 0.901 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1cccnc1N1CC[NH2+]CC1 ZINC001220313415 1224826083 /nfs/dbraw/zinc/82/60/83/1224826083.db2.gz PQLUODDVCQNYPR-UHFFFAOYSA-N 2 0 355.446 0.111 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001220313724 1224826090 /nfs/dbraw/zinc/82/60/90/1224826090.db2.gz UALUFZFRFOTQPG-ZDUSSCGKSA-N 2 0 356.430 0.442 20 0 FCADRP CN(CC(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)C(N)=[NH2+] ZINC001144132657 1204423277 /nfs/dbraw/zinc/42/32/77/1204423277.db2.gz ZQJQZFRZAPSBPH-XIRDDKMYSA-N 2 0 358.490 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001091038773 1204453864 /nfs/dbraw/zinc/45/38/64/1204453864.db2.gz GGSCLUPQJGSDQK-FPCDFSMTSA-N 2 0 361.494 0.723 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cn1 ZINC000846321382 1204613602 /nfs/dbraw/zinc/61/36/02/1204613602.db2.gz PSWHPCHBQZCLTD-QGZVFWFLSA-N 2 0 370.457 0.386 20 0 FCADRP C[C@H](C(=O)NOC1CC[NH+](C)CC1)[C@H](C)C(=O)NOC1CC[NH+](C)CC1 ZINC000846650673 1204649771 /nfs/dbraw/zinc/64/97/71/1204649771.db2.gz ULFJERNAFBZJQW-KBPBESRZSA-N 2 0 370.494 0.543 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544237 1204709104 /nfs/dbraw/zinc/70/91/04/1204709104.db2.gz XEHAJBMGDCOLOJ-CLCXKQKWSA-N 2 0 362.474 0.010 20 0 FCADRP COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001146395024 1204720722 /nfs/dbraw/zinc/72/07/22/1204720722.db2.gz VUFGFSJWVXIBPA-LLVKDONJSA-N 2 0 373.454 0.294 20 0 FCADRP c1ccc(N2CC[NH2+]CC2)c(CNc2nccc(N3CC[NH2+]CC3)n2)c1 ZINC001171282686 1204736069 /nfs/dbraw/zinc/73/60/69/1204736069.db2.gz YHVUAQUZIYLUDM-UHFFFAOYSA-N 2 0 353.474 0.908 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388063 1224853381 /nfs/dbraw/zinc/85/33/81/1224853381.db2.gz ZCHUVMTVNWZRJY-JQHSSLGASA-N 2 0 369.506 0.218 20 0 FCADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C(=O)OC(C)(C)C ZINC001220382361 1224850352 /nfs/dbraw/zinc/85/03/52/1224850352.db2.gz VPRYAVHXAZWQBO-KBPBESRZSA-N 2 0 373.494 0.872 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583963 1204799076 /nfs/dbraw/zinc/79/90/76/1204799076.db2.gz ZBSHRNSWQWISQZ-FGTMMUONSA-N 2 0 367.534 0.894 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666876 1204812723 /nfs/dbraw/zinc/81/27/23/1204812723.db2.gz JOLMCHNZZDGRIW-MDYRTPRTSA-N 2 0 362.518 0.918 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720820 1204832197 /nfs/dbraw/zinc/83/21/97/1204832197.db2.gz CXZJEPDPRPGIRV-AYBZRNKSSA-N 2 0 360.506 0.970 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738022 1204837689 /nfs/dbraw/zinc/83/76/89/1204837689.db2.gz NENLNJQMCIKGLP-MDZRGWNJSA-N 2 0 363.506 0.132 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CC[NH+](CC2CC2)CC1 ZINC001086850084 1204848408 /nfs/dbraw/zinc/84/84/08/1204848408.db2.gz PHEFWJUFDDVESL-JQHSSLGASA-N 2 0 362.518 0.871 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001086855443 1204850603 /nfs/dbraw/zinc/85/06/03/1204850603.db2.gz ZPZFFCYSDXYWQW-UONOGXRCSA-N 2 0 357.462 0.964 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001086854539 1204852777 /nfs/dbraw/zinc/85/27/77/1204852777.db2.gz CVPUEZVLJWKNAK-XHSDSOJGSA-N 2 0 358.490 0.736 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)C1 ZINC001086875311 1204858512 /nfs/dbraw/zinc/85/85/12/1204858512.db2.gz NGWOINDQIWJBEJ-SOUVJXGZSA-N 2 0 363.510 0.754 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086989318 1204882098 /nfs/dbraw/zinc/88/20/98/1204882098.db2.gz VHIJXLWDJSWJFZ-LWVGGODOSA-N 2 0 359.474 0.187 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087009691 1204897370 /nfs/dbraw/zinc/89/73/70/1204897370.db2.gz SSBSOYXDCZVKPU-ZWKOTPCHSA-N 2 0 371.489 0.297 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059527 1204944277 /nfs/dbraw/zinc/94/42/77/1204944277.db2.gz KIYCPUAOVPMDJW-RHSMWYFYSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059377 1204944495 /nfs/dbraw/zinc/94/44/95/1204944495.db2.gz BRJYGKKZCRVNNX-KURKYZTESA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087063387 1204949827 /nfs/dbraw/zinc/94/98/27/1204949827.db2.gz WJCJAFCKSTVIPJ-HYVNUMGLSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087062922 1204950241 /nfs/dbraw/zinc/95/02/41/1204950241.db2.gz BAHPJAVARPAKQR-HYVNUMGLSA-N 2 0 365.478 0.815 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083737 1204970316 /nfs/dbraw/zinc/97/03/16/1204970316.db2.gz QMYNFEXEGTYSFD-FRFSOERESA-N 2 0 365.478 0.815 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083520 1204970444 /nfs/dbraw/zinc/97/04/44/1204970444.db2.gz IQSOXYFUQJNKCC-LZLYRXPVSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083728 1204971639 /nfs/dbraw/zinc/97/16/39/1204971639.db2.gz QIQWDKDRYDWDQI-NUEKZKHPSA-N 2 0 364.494 0.408 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087079549 1204991229 /nfs/dbraw/zinc/99/12/29/1204991229.db2.gz VATZVGYADCGREW-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087101068 1204997875 /nfs/dbraw/zinc/99/78/75/1204997875.db2.gz RQIOEYBMBANYDO-CGTJXYLNSA-N 2 0 363.506 0.633 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)o1 ZINC001087101711 1204999030 /nfs/dbraw/zinc/99/90/30/1204999030.db2.gz YHGLXZFUCHLWPS-FVQBIDKESA-N 2 0 365.478 0.988 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087101514 1205000038 /nfs/dbraw/zinc/00/00/38/1205000038.db2.gz OKKFJEXSRVIMCI-SJLPKXTDSA-N 2 0 361.490 0.834 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087096209 1205003256 /nfs/dbraw/zinc/00/32/56/1205003256.db2.gz CMDBROYBMTWTHA-LZLYRXPVSA-N 2 0 363.506 0.715 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787130 1205012654 /nfs/dbraw/zinc/01/26/54/1205012654.db2.gz SAFWZQOQQUIQKH-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787131 1205012929 /nfs/dbraw/zinc/01/29/29/1205012929.db2.gz SAFWZQOQQUIQKH-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776763 1205024940 /nfs/dbraw/zinc/02/49/40/1205024940.db2.gz ONQZALYVEXPZHF-MDZRGWNJSA-N 2 0 362.518 0.907 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013143 1205113404 /nfs/dbraw/zinc/11/34/04/1205113404.db2.gz JAQAXXKXHMCLRP-YRNRMSPPSA-N 2 0 362.518 0.729 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)NC[C@H]2COCC[NH2+]2)c2cc3ccccc3o2)C1 ZINC001220431459 1224870202 /nfs/dbraw/zinc/87/02/02/1224870202.db2.gz HGRPSMPRARDGJL-VKJFTORMSA-N 2 0 358.442 0.612 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC1 ZINC001092071070 1205133408 /nfs/dbraw/zinc/13/34/08/1205133408.db2.gz FTBSQMPNDNEVLW-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188012 1205187553 /nfs/dbraw/zinc/18/75/53/1205187553.db2.gz KNKHIWPPFFMZEL-ZTQAJYAQSA-N 2 0 362.518 0.763 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203378 1205197955 /nfs/dbraw/zinc/19/79/55/1205197955.db2.gz MOKHVYMCANSULC-MDZRGWNJSA-N 2 0 360.502 0.483 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273049 1205220941 /nfs/dbraw/zinc/22/09/41/1205220941.db2.gz LAOCHOLDILPZIK-HLIPFELVSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001092275553 1205222445 /nfs/dbraw/zinc/22/24/45/1205222445.db2.gz INOVMRUSCIXICR-XLIONFOSSA-N 2 0 362.518 0.875 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3[NH2+]CC[C@@H]3O)nc3ccc(C)cc3n12 ZINC001220458591 1224878774 /nfs/dbraw/zinc/87/87/74/1224878774.db2.gz WSKWLLWWARHIIM-HOTGVXAUSA-N 2 0 368.441 0.514 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604315 1205317967 /nfs/dbraw/zinc/31/79/67/1205317967.db2.gz GDTOXYVVJFOFDF-KFWWJZLASA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611071 1205319854 /nfs/dbraw/zinc/31/98/54/1205319854.db2.gz HEQIUHZNHZYCJA-SZVBFZGTSA-N 2 0 359.518 0.989 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615828 1205329442 /nfs/dbraw/zinc/32/94/42/1205329442.db2.gz QQQCVENJACYVLM-IIAWOOMASA-N 2 0 364.494 0.006 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001092618729 1205329764 /nfs/dbraw/zinc/32/97/64/1205329764.db2.gz ZWMCRRXLYCMMFF-WCXIOVBPSA-N 2 0 365.522 0.426 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467189 1224882345 /nfs/dbraw/zinc/88/23/45/1224882345.db2.gz PEMPHWLPSDKWMW-YESZJQIVSA-N 2 0 368.522 0.491 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502049 1224895020 /nfs/dbraw/zinc/89/50/20/1224895020.db2.gz XYABOMJDRDROEL-ULQDDVLXSA-N 3 0 361.490 0.250 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001220521534 1224904929 /nfs/dbraw/zinc/90/49/29/1224904929.db2.gz ICLFNACIFLNOBT-UHFFFAOYSA-N 2 0 372.469 0.921 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])[C@@H](C)OCc2ccccc2)CC[NH2+]C1 ZINC001220524038 1224906212 /nfs/dbraw/zinc/90/62/12/1224906212.db2.gz XODGNGBGEBLZDR-DYVFJYSZSA-N 2 0 361.442 0.846 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910386 1205940880 /nfs/dbraw/zinc/94/08/80/1205940880.db2.gz BRYXQXGPFKOWJK-INMHGKMJSA-N 2 0 364.494 0.108 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911463 1205940939 /nfs/dbraw/zinc/94/09/39/1205940939.db2.gz RVSCWZCVDQALQS-JFIYKMOQSA-N 2 0 363.506 0.713 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195347 1206052843 /nfs/dbraw/zinc/05/28/43/1206052843.db2.gz NOHFJWDXPMVGIH-ZTFGCOKTSA-N 2 0 358.486 0.921 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093820227 1206123108 /nfs/dbraw/zinc/12/31/08/1206123108.db2.gz HKQOXTLISGDLAV-BRWVUGGUSA-N 2 0 362.522 0.977 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093816967 1206134658 /nfs/dbraw/zinc/13/46/58/1206134658.db2.gz VRBXIUJMUKJTAD-BRWVUGGUSA-N 2 0 362.522 0.977 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001093864211 1206137120 /nfs/dbraw/zinc/13/71/20/1206137120.db2.gz JORWBRSBSDSNGH-OAGGEKHMSA-N 2 0 363.510 0.922 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001093879288 1206141314 /nfs/dbraw/zinc/14/13/14/1206141314.db2.gz SJNICFUJXQDTMJ-TZMCWYRMSA-N 2 0 368.445 0.664 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093883844 1206143102 /nfs/dbraw/zinc/14/31/02/1206143102.db2.gz AUESKKKDOPPBQI-OAGGEKHMSA-N 2 0 363.510 0.515 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093910696 1206147062 /nfs/dbraw/zinc/14/70/62/1206147062.db2.gz NWNSZRXQECBRSD-IIAWOOMASA-N 2 0 368.441 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094012021 1206169752 /nfs/dbraw/zinc/16/97/52/1206169752.db2.gz CJFOOCUQLABSNC-UKRRQHHQSA-N 2 0 361.494 0.534 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001094014148 1206169940 /nfs/dbraw/zinc/16/99/40/1206169940.db2.gz WLJABZDXBILTOX-OIISXLGYSA-N 2 0 360.506 0.791 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001094041025 1206174015 /nfs/dbraw/zinc/17/40/15/1206174015.db2.gz UNAFDQFNBNBKAM-RBSFLKMASA-N 2 0 365.478 0.884 20 0 FCADRP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001094137549 1206191193 /nfs/dbraw/zinc/19/11/93/1206191193.db2.gz PVKBVTPTXMRSKV-UKRRQHHQSA-N 2 0 365.478 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094137773 1206191435 /nfs/dbraw/zinc/19/14/35/1206191435.db2.gz WPZLRDGUUDXQQW-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094165647 1206197963 /nfs/dbraw/zinc/19/79/63/1206197963.db2.gz VIBARCNBENZYMM-OWCLPIDISA-N 2 0 363.510 0.780 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094170187 1206198323 /nfs/dbraw/zinc/19/83/23/1206198323.db2.gz RNKWJXFYMYYMHS-ZIAGYGMSSA-N 2 0 357.462 0.774 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001094170180 1206198374 /nfs/dbraw/zinc/19/83/74/1206198374.db2.gz RBFOOHXYZVMKRR-HUUCEWRRSA-N 2 0 361.494 0.363 20 0 FCADRP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001094169768 1206198446 /nfs/dbraw/zinc/19/84/46/1206198446.db2.gz UMYCMZPKSUCDEZ-GDBMZVCRSA-N 2 0 360.506 0.886 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094170809 1206198802 /nfs/dbraw/zinc/19/88/02/1206198802.db2.gz AUKMBNXBHBXYON-FMKPAKJESA-N 2 0 359.474 0.724 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1 ZINC001094224279 1206204344 /nfs/dbraw/zinc/20/43/44/1206204344.db2.gz BBBZFCPDPISFPY-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417147 1206224277 /nfs/dbraw/zinc/22/42/77/1206224277.db2.gz JRWCCKNRGDXKHL-SQGPQFPESA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12)NC1CC1 ZINC001094560763 1206238330 /nfs/dbraw/zinc/23/83/30/1206238330.db2.gz WLUFEQTVQRMXGN-VQIMIIECSA-N 2 0 360.502 0.722 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)C(C)C ZINC001220572915 1224942100 /nfs/dbraw/zinc/94/21/00/1224942100.db2.gz NTZSDUFBXMCOLC-SQNIBIBYSA-N 2 0 365.522 0.490 20 0 FCADRP OC(C[NH+]1CCC[C@@H](C2OCCO2)C1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000773749394 1206359424 /nfs/dbraw/zinc/35/94/24/1206359424.db2.gz VPBXSRXWADWLDQ-HZPDHXFCSA-N 2 0 370.490 0.517 20 0 FCADRP C[C@H]1C[C@@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001178565270 1206360280 /nfs/dbraw/zinc/36/02/80/1206360280.db2.gz VYOVNFHYRAWDDS-GAFCNROLSA-N 2 0 371.522 0.938 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cnccn3)[C@@H]2C)CC[N@@H+]1C ZINC001178730992 1206363688 /nfs/dbraw/zinc/36/36/88/1206363688.db2.gz IYMVCVJFUJZFJC-BARDWOONSA-N 2 0 360.462 0.334 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@H]2OCC[C@H]21 ZINC001179550144 1206382295 /nfs/dbraw/zinc/38/22/95/1206382295.db2.gz IPMRMUZENXXLTA-YNEHKIRRSA-N 2 0 369.466 0.472 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001180406413 1206395097 /nfs/dbraw/zinc/39/50/97/1206395097.db2.gz JETGCBREQBKWLB-DLBZAZTESA-N 2 0 357.454 0.682 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001181994404 1206418501 /nfs/dbraw/zinc/41/85/01/1206418501.db2.gz JBPZRKGPSBVTJQ-SFHVURJKSA-N 2 0 374.533 0.847 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001182012279 1206419587 /nfs/dbraw/zinc/41/95/87/1206419587.db2.gz JCDJMGLEGQPYCC-WNRNVDISSA-N 2 0 371.485 0.776 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220585598 1224951377 /nfs/dbraw/zinc/95/13/77/1224951377.db2.gz QPLSRPZWMKTALN-KRWDZBQOSA-N 2 0 374.485 0.058 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C24CCC[NH+]2CCC4)CC3)CC1 ZINC001183558027 1206455644 /nfs/dbraw/zinc/45/56/44/1206455644.db2.gz YQSMGUAGDMLGCX-UHFFFAOYSA-N 2 0 372.517 0.601 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001185942364 1206488788 /nfs/dbraw/zinc/48/87/88/1206488788.db2.gz KHBWNRNYIAQRRT-DJIMGWMZSA-N 2 0 364.494 0.254 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CCN(c2cnc3ccccc3n2)CC1 ZINC001220621706 1224973148 /nfs/dbraw/zinc/97/31/48/1224973148.db2.gz BORLFPNHDIXJCY-AWEZNQCLSA-N 2 0 374.514 0.734 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001220651171 1224990914 /nfs/dbraw/zinc/99/09/14/1224990914.db2.gz FITKLRXUHSEJAH-GOSISDBHSA-N 2 0 358.486 0.871 20 0 FCADRP COc1nccc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188964197 1207493074 /nfs/dbraw/zinc/49/30/74/1207493074.db2.gz ZBLPFWDBGVESCX-GOEBONIOSA-N 2 0 359.474 0.860 20 0 FCADRP CCn1nnc(C)c1CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963205 1207493391 /nfs/dbraw/zinc/49/33/91/1207493391.db2.gz LWISVKXFEBEBIQ-DOTOQJQBSA-N 2 0 360.506 0.981 20 0 FCADRP C[C@H](NC(=O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188971234 1207493500 /nfs/dbraw/zinc/49/35/00/1207493500.db2.gz RTLRISCGHQCPFP-BHYGNILZSA-N 2 0 362.518 0.776 20 0 FCADRP COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188962854 1207493516 /nfs/dbraw/zinc/49/35/16/1207493516.db2.gz IGPSSRYUHWYOSL-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189810807 1207604101 /nfs/dbraw/zinc/60/41/01/1207604101.db2.gz IBXMUHSYAMXGHE-ZWKOTPCHSA-N 2 0 363.506 0.611 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801394 1207610414 /nfs/dbraw/zinc/61/04/14/1207610414.db2.gz DVCWUEJXQDUMPM-YESZJQIVSA-N 2 0 362.518 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001190246339 1207667937 /nfs/dbraw/zinc/66/79/37/1207667937.db2.gz ATONQWFMAFFFJK-YESZJQIVSA-N 2 0 367.538 0.957 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001190324782 1207675948 /nfs/dbraw/zinc/67/59/48/1207675948.db2.gz OTAFLGGNDMHGQL-DLBZAZTESA-N 2 0 363.506 0.420 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688830 1225015147 /nfs/dbraw/zinc/01/51/47/1225015147.db2.gz RBKWLGFUUJOVCH-QRVBRYPASA-N 2 0 363.502 0.483 20 0 FCADRP C[N@H+](CC(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001273641409 1207838050 /nfs/dbraw/zinc/83/80/50/1207838050.db2.gz JGVSGELOYUHJIX-KRWDZBQOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@@H](C[NH+]4CCCC4)C3)c2)CC1 ZINC001193945665 1207904035 /nfs/dbraw/zinc/90/40/35/1207904035.db2.gz UVNCYAMMFYFXIK-IBGZPJMESA-N 2 0 373.501 0.770 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@H](C[NH+]4CCCC4)C3)c2)CC1 ZINC001193945666 1207904147 /nfs/dbraw/zinc/90/41/47/1207904147.db2.gz UVNCYAMMFYFXIK-LJQANCHMSA-N 2 0 373.501 0.770 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001194259639 1207927556 /nfs/dbraw/zinc/92/75/56/1207927556.db2.gz ZYGNFBVCOXIPKC-HZPDHXFCSA-N 2 0 366.510 0.340 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221697 1208011083 /nfs/dbraw/zinc/01/10/83/1208011083.db2.gz BXJBBNUEAIFGLE-BRWVUGGUSA-N 2 0 369.506 0.218 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001195702119 1208035987 /nfs/dbraw/zinc/03/59/87/1208035987.db2.gz YWZRLMHMLPFIEZ-BZUAXINKSA-N 2 0 363.458 0.330 20 0 FCADRP CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCCCC1 ZINC001195871258 1208045066 /nfs/dbraw/zinc/04/50/66/1208045066.db2.gz PAZLJCFXTBZQRF-IAGOWNOFSA-N 2 0 368.522 0.281 20 0 FCADRP C[C@@H](C(=O)N(C)c1ccccc1)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871953 1208045314 /nfs/dbraw/zinc/04/53/14/1208045314.db2.gz UDWBLFWKFGNLNE-USXIJHARSA-N 2 0 362.474 0.151 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](CC)CC ZINC001196114922 1208058731 /nfs/dbraw/zinc/05/87/31/1208058731.db2.gz HDWXYSZHKCGGPS-BRWVUGGUSA-N 2 0 364.490 0.167 20 0 FCADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798806 1208106995 /nfs/dbraw/zinc/10/69/95/1208106995.db2.gz UGMHNLAWQCJCPG-CGTJXYLNSA-N 2 0 365.522 0.902 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001197050024 1208131732 /nfs/dbraw/zinc/13/17/32/1208131732.db2.gz SRNWLSUVZZOLKV-QZTJIDSGSA-N 2 0 361.486 0.667 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197058661 1208132100 /nfs/dbraw/zinc/13/21/00/1208132100.db2.gz VYJAGASHCIQNFF-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP Cc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197255308 1208148966 /nfs/dbraw/zinc/14/89/66/1208148966.db2.gz UGFLLRPEXDQYDF-IAGOWNOFSA-N 2 0 366.462 0.064 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319374 1208152319 /nfs/dbraw/zinc/15/23/19/1208152319.db2.gz BVNWRUBBRZWCOF-KBAYOESNSA-N 2 0 369.506 0.218 20 0 FCADRP CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197411553 1208162004 /nfs/dbraw/zinc/16/20/04/1208162004.db2.gz BSCMXGOQOIYJNN-IAGOWNOFSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535690 1208170637 /nfs/dbraw/zinc/17/06/37/1208170637.db2.gz BBFJGUPEUDDTDL-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536260 1208172194 /nfs/dbraw/zinc/17/21/94/1208172194.db2.gz QLGYGABUVFAWCR-RCCFBDPRSA-N 2 0 367.465 0.232 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)CC2)cc1 ZINC001220743887 1225047951 /nfs/dbraw/zinc/04/79/51/1225047951.db2.gz UMKSBQUDWNJKSH-DYESRHJHSA-N 2 0 372.513 0.770 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC2CCOCC2)cn1 ZINC001691703413 1208426277 /nfs/dbraw/zinc/42/62/77/1208426277.db2.gz CROONVRABZWOEL-ZWKOTPCHSA-N 2 0 363.506 0.682 20 0 FCADRP CC(C)N(C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569232 1208462743 /nfs/dbraw/zinc/46/27/43/1208462743.db2.gz HFLLUOIEDWCZNT-TVFCKZIOSA-N 2 0 362.518 0.917 20 0 FCADRP CN(CC1CC1)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569257 1208463224 /nfs/dbraw/zinc/46/32/24/1208463224.db2.gz HUCZMCHGLHZLAG-HCXYKTFWSA-N 2 0 374.529 0.918 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779151 1225067970 /nfs/dbraw/zinc/06/79/70/1225067970.db2.gz NKLASQYKQLRTKA-SAKMYQHLSA-N 3 0 365.522 0.354 20 0 FCADRP C[C@H](C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001488827165 1208551850 /nfs/dbraw/zinc/55/18/50/1208551850.db2.gz AMFQHMDKDCEINK-OXGONZEZSA-N 2 0 359.536 0.492 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220826255 1225091015 /nfs/dbraw/zinc/09/10/15/1225091015.db2.gz USEPCCXZISNTPS-SJORKVTESA-N 2 0 366.510 0.342 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)[NH+](C)C ZINC001489671343 1209081726 /nfs/dbraw/zinc/08/17/26/1209081726.db2.gz MCIDUAIUBORODR-BRWVUGGUSA-N 2 0 364.534 0.974 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220909013 1225134822 /nfs/dbraw/zinc/13/48/22/1225134822.db2.gz HEFNUGVCMVFRLG-INIZCTEOSA-N 2 0 362.478 0.523 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC001220913161 1225136943 /nfs/dbraw/zinc/13/69/43/1225136943.db2.gz KDOFDNFXRRBDFO-UHFFFAOYSA-N 2 0 374.485 0.459 20 0 FCADRP NC(=O)[C@](O)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000851794376 1209520582 /nfs/dbraw/zinc/52/05/82/1209520582.db2.gz HBCPNURBQCTJLD-FQEVSTJZSA-N 2 0 361.486 0.936 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665479 1209593093 /nfs/dbraw/zinc/59/30/93/1209593093.db2.gz XDEOWKAXJICHGM-VQHPVUNQSA-N 2 0 369.506 0.216 20 0 FCADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001220950702 1225154118 /nfs/dbraw/zinc/15/41/18/1225154118.db2.gz DBDURZCJWVJBMU-AWEZNQCLSA-N 2 0 369.381 0.234 20 0 FCADRP COc1ccccc1Cn1cncc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220968963 1225165144 /nfs/dbraw/zinc/16/51/44/1225165144.db2.gz JHZWOTYFRAXZMN-SFHVURJKSA-N 2 0 357.458 0.883 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000861745478 1209879225 /nfs/dbraw/zinc/87/92/25/1209879225.db2.gz MKDOGDDMYTXPSG-NVXWUHKLSA-N 2 0 362.474 0.199 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000861760944 1209880590 /nfs/dbraw/zinc/88/05/90/1209880590.db2.gz RYYFPVKNKNHURY-FXAWDEMLSA-N 2 0 374.485 0.119 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CCOCC2)c1 ZINC001220990375 1225178028 /nfs/dbraw/zinc/17/80/28/1225178028.db2.gz KALFLTGIRSSPQH-FOIQADDNSA-N 2 0 374.485 0.454 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221005100 1225182110 /nfs/dbraw/zinc/18/21/10/1225182110.db2.gz WQJUMBCSLAVIJY-BHIYHBOVSA-N 3 0 374.533 0.431 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000868256787 1210047933 /nfs/dbraw/zinc/04/79/33/1210047933.db2.gz CNESHPVASWJISW-ZDUSSCGKSA-N 2 0 365.453 0.712 20 0 FCADRP C[NH2+][C@H](C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1)[C@@H](C)OC(C)(C)C ZINC001221007127 1225182998 /nfs/dbraw/zinc/18/29/98/1225182998.db2.gz WSCGXEMTVKZLLX-ANQUJSFKSA-N 2 0 370.538 0.883 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375729 1210056446 /nfs/dbraw/zinc/05/64/46/1210056446.db2.gz VRPYBTMXWOBKQB-KZNAEPCWSA-N 2 0 365.522 0.129 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000871464491 1210157042 /nfs/dbraw/zinc/15/70/42/1210157042.db2.gz OBMYOLFLUPCEGE-WRQOLXDDSA-N 2 0 366.506 0.010 20 0 FCADRP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221058397 1225203113 /nfs/dbraw/zinc/20/31/13/1225203113.db2.gz HQZZHGFAQOEGGE-ROUUACIJSA-N 2 0 367.449 0.849 20 0 FCADRP COc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001221060458 1225203814 /nfs/dbraw/zinc/20/38/14/1225203814.db2.gz AUSOLRCQKLOVSS-INIZCTEOSA-N 2 0 360.458 0.302 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070292 1225208502 /nfs/dbraw/zinc/20/85/02/1225208502.db2.gz MMKWJOACVIUDQA-RDWMDRTOSA-N 2 0 369.506 0.547 20 0 FCADRP Cc1nccn1-c1ccc(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)cn1 ZINC000825859576 1210409346 /nfs/dbraw/zinc/40/93/46/1210409346.db2.gz SHCVUHRITACINJ-MRXNPFEDSA-N 2 0 356.430 0.536 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781666 1210429619 /nfs/dbraw/zinc/42/96/19/1210429619.db2.gz QFHQHEZFOXYSCS-QGZVFWFLSA-N 2 0 362.522 0.873 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])cc1 ZINC000877238129 1210440614 /nfs/dbraw/zinc/44/06/14/1210440614.db2.gz YLHMBJHYZUOJTG-GVDBMIGSSA-N 2 0 360.458 0.207 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]2[NH3+])cc1 ZINC000877237985 1210441024 /nfs/dbraw/zinc/44/10/24/1210441024.db2.gz RXVQDLDYJMVHRR-RYQLBKOJSA-N 2 0 374.485 0.358 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001221081934 1225214937 /nfs/dbraw/zinc/21/49/37/1225214937.db2.gz ZBNLNDQBZAUMDP-MOPGFXCFSA-N 2 0 361.486 0.716 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc(-c2ncccn2)cc1 ZINC001221082438 1225214955 /nfs/dbraw/zinc/21/49/55/1225214955.db2.gz UBRSYBIIZJJNPZ-KRWDZBQOSA-N 2 0 354.458 0.510 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881623893 1210595162 /nfs/dbraw/zinc/59/51/62/1210595162.db2.gz VBXPWHQCTMKVDR-MRXNPFEDSA-N 2 0 366.506 0.287 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)C1 ZINC001221115859 1225228480 /nfs/dbraw/zinc/22/84/80/1225228480.db2.gz ARCCQLCNDUANMF-INIZCTEOSA-N 2 0 359.518 0.891 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883359342 1210663399 /nfs/dbraw/zinc/66/33/99/1210663399.db2.gz DPGICXGQANPZBN-MRXNPFEDSA-N 2 0 365.522 0.844 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883606126 1210673490 /nfs/dbraw/zinc/67/34/90/1210673490.db2.gz JNHCXRVKRVICGK-PBHICJAKSA-N 2 0 359.474 0.715 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883604462 1210673643 /nfs/dbraw/zinc/67/36/43/1210673643.db2.gz XLWSANGVVABKQY-SFHVURJKSA-N 2 0 371.485 0.859 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883605319 1210673696 /nfs/dbraw/zinc/67/36/96/1210673696.db2.gz RYEHKWLTJRRGNZ-WMZOPIPTSA-N 2 0 371.485 0.778 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883605528 1210673861 /nfs/dbraw/zinc/67/38/61/1210673861.db2.gz WOHKAKHDUAHFAD-YJBOKZPZSA-N 2 0 371.485 0.717 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604477 1210673866 /nfs/dbraw/zinc/67/38/66/1210673866.db2.gz XZRRXMWXYRNRDD-PBHICJAKSA-N 2 0 357.458 0.469 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611488 1210675150 /nfs/dbraw/zinc/67/51/50/1210675150.db2.gz ZNBPAELXTBBXBF-WMLDXEAASA-N 2 0 359.474 0.634 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000883640536 1210677605 /nfs/dbraw/zinc/67/76/05/1210677605.db2.gz RWOZOIHGBLDKLX-MRXNPFEDSA-N 2 0 366.506 0.430 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000883641407 1210678337 /nfs/dbraw/zinc/67/83/37/1210678337.db2.gz OCCSPCNIZZCONC-INMHGKMJSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883641916 1210678421 /nfs/dbraw/zinc/67/84/21/1210678421.db2.gz ZHBPASLKALKFAZ-ZRGWGRIASA-N 2 0 357.458 0.459 20 0 FCADRP CN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1(C[NH3+])CCCCC1 ZINC000883652840 1210680168 /nfs/dbraw/zinc/68/01/68/1210680168.db2.gz DWFFRMJQHMGGHO-UHFFFAOYSA-N 2 0 368.522 0.676 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000884183232 1210720355 /nfs/dbraw/zinc/72/03/55/1210720355.db2.gz GQIIBHDLXPDTCB-IYBDPMFKSA-N 2 0 361.490 0.720 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000884229783 1210725104 /nfs/dbraw/zinc/72/51/04/1210725104.db2.gz AEWAWIOPSPMFLH-MRXNPFEDSA-N 2 0 359.474 0.286 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884340534 1210731306 /nfs/dbraw/zinc/73/13/06/1210731306.db2.gz KJPSIMYVJQKMTP-MJGOQNOKSA-N 2 0 373.501 0.850 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000884496057 1210739115 /nfs/dbraw/zinc/73/91/15/1210739115.db2.gz LDSVTDWOMBSXIN-NXHRZFHOSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000884496055 1210739212 /nfs/dbraw/zinc/73/92/12/1210739212.db2.gz LDSVTDWOMBSXIN-KBAYOESNSA-N 2 0 374.485 0.342 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884503662 1210740386 /nfs/dbraw/zinc/74/03/86/1210740386.db2.gz PXYVNTMACFVMFI-RTBURBONSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000884510324 1210742063 /nfs/dbraw/zinc/74/20/63/1210742063.db2.gz DEUNWRQAWVOGOM-NXHRZFHOSA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000884517891 1210743450 /nfs/dbraw/zinc/74/34/50/1210743450.db2.gz YOPREESJAAZWBX-INIZCTEOSA-N 2 0 373.501 0.892 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884531884 1210745203 /nfs/dbraw/zinc/74/52/03/1210745203.db2.gz XJRFVNPUUOMSHW-HOTGVXAUSA-N 2 0 366.506 0.333 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532782 1210745436 /nfs/dbraw/zinc/74/54/36/1210745436.db2.gz QDTYEPGJFSPKOW-UBDQQSCGSA-N 2 0 356.470 0.586 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884531885 1210745677 /nfs/dbraw/zinc/74/56/77/1210745677.db2.gz XJRFVNPUUOMSHW-HZPDHXFCSA-N 2 0 366.506 0.333 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884531886 1210745879 /nfs/dbraw/zinc/74/58/79/1210745879.db2.gz XJRFVNPUUOMSHW-JKSUJKDBSA-N 2 0 366.506 0.333 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000884576570 1210754530 /nfs/dbraw/zinc/75/45/30/1210754530.db2.gz KQPHTCHHNBVJDZ-JCGIZDLHSA-N 2 0 358.486 0.888 20 0 FCADRP CCN(C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884578029 1210755580 /nfs/dbraw/zinc/75/55/80/1210755580.db2.gz RCDJEAWUXBQDAS-SFHVURJKSA-N 2 0 358.486 0.761 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576918 1210755832 /nfs/dbraw/zinc/75/58/32/1210755832.db2.gz TUFQNBHVIRSFCP-CRAIPNDOSA-N 2 0 358.486 0.665 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000884603041 1210759916 /nfs/dbraw/zinc/75/99/16/1210759916.db2.gz AGLJLOZGULQFOE-UHFFFAOYSA-N 2 0 368.522 0.724 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000884604840 1210760802 /nfs/dbraw/zinc/76/08/02/1210760802.db2.gz PWBQBUDOHDHMRK-JLAWEPINSA-N 2 0 370.497 0.950 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604990 1210761364 /nfs/dbraw/zinc/76/13/64/1210761364.db2.gz SRTBIZOBTLPTPT-BGTYHANMSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000884618619 1210763391 /nfs/dbraw/zinc/76/33/91/1210763391.db2.gz JBROXLCXTXVGHK-WMLDXEAASA-N 2 0 374.485 0.208 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884625177 1210765471 /nfs/dbraw/zinc/76/54/71/1210765471.db2.gz BTBBQOMPPZXUSA-UHFFFAOYSA-N 2 0 370.497 0.939 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626707 1210765913 /nfs/dbraw/zinc/76/59/13/1210765913.db2.gz SBVMXLLGKGFPSR-JYJNAYRXSA-N 2 0 364.490 0.004 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000884629843 1210766839 /nfs/dbraw/zinc/76/68/39/1210766839.db2.gz FUPXKYFDCAGKAE-DKIMLUQUSA-N 2 0 356.470 0.728 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000884640664 1210770281 /nfs/dbraw/zinc/77/02/81/1210770281.db2.gz LUXYERIKSKJFJT-KRWDZBQOSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884643860 1210771052 /nfs/dbraw/zinc/77/10/52/1210771052.db2.gz VCXQQUGMNARGSE-JLSDUUJJSA-N 2 0 356.470 0.901 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884646286 1210772110 /nfs/dbraw/zinc/77/21/10/1210772110.db2.gz NXNHRXUJJOFZNN-NXHRZFHOSA-N 2 0 358.486 0.976 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)Cc1ccc(F)cc1 ZINC000884660825 1210774396 /nfs/dbraw/zinc/77/43/96/1210774396.db2.gz DWDCKXOMBWZNIT-HNAYVOBHSA-N 2 0 362.449 0.442 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000884668728 1210774775 /nfs/dbraw/zinc/77/47/75/1210774775.db2.gz ASHUNAALMZZJPN-KYJSFNMBSA-N 2 0 374.485 0.896 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCCC1 ZINC000884670088 1210776290 /nfs/dbraw/zinc/77/62/90/1210776290.db2.gz ORTNOJFZULFWEE-YJBOKZPZSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000884672536 1210776833 /nfs/dbraw/zinc/77/68/33/1210776833.db2.gz VZJWGBXPJXGMGY-OAHLLOKOSA-N 2 0 359.474 0.897 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000884676179 1210778012 /nfs/dbraw/zinc/77/80/12/1210778012.db2.gz FHSKFBTWOQOTOJ-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884678698 1210778889 /nfs/dbraw/zinc/77/88/89/1210778889.db2.gz JRHZMJJEONBAEJ-IPMKNSEASA-N 2 0 370.497 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678811 1210779430 /nfs/dbraw/zinc/77/94/30/1210779430.db2.gz MWUXVEVUWMTVCA-FHLIZLRMSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000884683795 1210780186 /nfs/dbraw/zinc/78/01/86/1210780186.db2.gz NWWQGCIZKRYGJX-OWCLPIDISA-N 2 0 359.474 0.623 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000884703776 1210783756 /nfs/dbraw/zinc/78/37/56/1210783756.db2.gz KIERZVMYBUKFBF-DOTOQJQBSA-N 2 0 362.474 0.166 20 0 FCADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000884697899 1210783859 /nfs/dbraw/zinc/78/38/59/1210783859.db2.gz GNHZWWXZPSYYAN-RDJZCZTQSA-N 2 0 362.474 0.023 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706222 1210785369 /nfs/dbraw/zinc/78/53/69/1210785369.db2.gz VVVZVTCTLAXXIG-HUUCEWRRSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715613 1210786095 /nfs/dbraw/zinc/78/60/95/1210786095.db2.gz YUBDAQVFMSEUCE-NVXWUHKLSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884712507 1210786108 /nfs/dbraw/zinc/78/61/08/1210786108.db2.gz SJNXFVAIDIYJEM-HNAYVOBHSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884719308 1210788008 /nfs/dbraw/zinc/78/80/08/1210788008.db2.gz HTVXZWJEOXCLET-ZAWLATJESA-N 2 0 372.513 0.985 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884796174 1210795894 /nfs/dbraw/zinc/79/58/94/1210795894.db2.gz CQHNXLWGNPURJC-OXFYSEKESA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884833079 1210800125 /nfs/dbraw/zinc/80/01/25/1210800125.db2.gz FVWRSDLQLPGGRB-KBAYOESNSA-N 2 0 374.485 0.057 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884833430 1210800540 /nfs/dbraw/zinc/80/05/40/1210800540.db2.gz KOHWHCPLQTUAQW-SJLPKXTDSA-N 2 0 360.502 0.939 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000884837833 1210800685 /nfs/dbraw/zinc/80/06/85/1210800685.db2.gz LLMVHAOCVIIHHD-SJLPKXTDSA-N 2 0 356.470 0.501 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884882166 1210802522 /nfs/dbraw/zinc/80/25/22/1210802522.db2.gz UVPSKGDDVWJYBP-OAHLLOKOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884924011 1210804254 /nfs/dbraw/zinc/80/42/54/1210804254.db2.gz XSBRZXLCJVLXOQ-BZUAXINKSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](C)O1 ZINC000884968091 1210805659 /nfs/dbraw/zinc/80/56/59/1210805659.db2.gz OPSVUVUXHRALMA-OAGGEKHMSA-N 2 0 368.522 0.496 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)C2)cc1 ZINC000884982846 1210806380 /nfs/dbraw/zinc/80/63/80/1210806380.db2.gz KQJWJNATYPGUEQ-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884982910 1210806413 /nfs/dbraw/zinc/80/64/13/1210806413.db2.gz LKLZHGLWZFMMFJ-SZMVWBNQSA-N 2 0 374.485 0.260 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)C2)cc1 ZINC000884982842 1210806461 /nfs/dbraw/zinc/80/64/61/1210806461.db2.gz KQJWJNATYPGUEQ-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000885006807 1210807835 /nfs/dbraw/zinc/80/78/35/1210807835.db2.gz BPVWHRYWGBTUHN-KFESYUHLSA-N 2 0 366.506 0.249 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139432 1210811912 /nfs/dbraw/zinc/81/19/12/1210811912.db2.gz IDYVOODGVGKKNA-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000885140938 1210812249 /nfs/dbraw/zinc/81/22/49/1210812249.db2.gz CSVXILUSHAJHMW-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149070 1210812466 /nfs/dbraw/zinc/81/24/66/1210812466.db2.gz WNTAHNSJWRZTID-HOTGVXAUSA-N 2 0 366.506 0.062 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885163036 1210814458 /nfs/dbraw/zinc/81/44/58/1210814458.db2.gz WWYUAVRLZGHWGZ-YJBOKZPZSA-N 2 0 358.486 0.617 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885163188 1210814698 /nfs/dbraw/zinc/81/46/98/1210814698.db2.gz XZTISUHTAZBPDB-ROUUACIJSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000885280455 1210817032 /nfs/dbraw/zinc/81/70/32/1210817032.db2.gz PDOPVBWBTKKVLF-CABCVRRESA-N 2 0 372.460 0.824 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000885276939 1210817068 /nfs/dbraw/zinc/81/70/68/1210817068.db2.gz WCCIBQRACAVGDX-GJZGRUSLSA-N 2 0 372.460 0.824 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292137 1210817477 /nfs/dbraw/zinc/81/74/77/1210817477.db2.gz RLCQLWDOHOLBJU-CABCVRRESA-N 2 0 372.460 0.538 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869172 1210821333 /nfs/dbraw/zinc/82/13/33/1210821333.db2.gz PRDAWRYODXMRBG-PZJWPPBQSA-N 2 0 373.497 0.993 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000886990596 1210841774 /nfs/dbraw/zinc/84/17/74/1210841774.db2.gz QLXYYABRQIJVDX-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887070910 1210846068 /nfs/dbraw/zinc/84/60/68/1210846068.db2.gz VYZDENCUPCMHKI-OALUTQOASA-N 2 0 372.513 0.972 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC[C@@H]1[NH3+] ZINC000887091373 1210847085 /nfs/dbraw/zinc/84/70/85/1210847085.db2.gz ITVRUZLHQGYNIJ-INMHGKMJSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887091661 1210847172 /nfs/dbraw/zinc/84/71/72/1210847172.db2.gz RKQUZIUCEULXNI-CABCVRRESA-N 2 0 359.474 0.705 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887091807 1210847504 /nfs/dbraw/zinc/84/75/04/1210847504.db2.gz WSNVTKIFHPKQLP-HZPDHXFCSA-N 2 0 359.474 0.577 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001691724047 1210847713 /nfs/dbraw/zinc/84/77/13/1210847713.db2.gz DZBDULCTEJGLLU-ILXRZTDVSA-N 2 0 362.540 0.187 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887448898 1210858392 /nfs/dbraw/zinc/85/83/92/1210858392.db2.gz JEBLXPLAZYVJLE-MJGOQNOKSA-N 2 0 358.490 0.694 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C2(C)CC[NH+](C)CC2)C3)CC1 ZINC001274083195 1210875477 /nfs/dbraw/zinc/87/54/77/1210875477.db2.gz AGUIJSIJPFVXRF-INIZCTEOSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083951 1210876278 /nfs/dbraw/zinc/87/62/78/1210876278.db2.gz OBBAGPPGWKMDGF-RZQQEMMASA-N 2 0 362.518 0.776 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090876 1210878904 /nfs/dbraw/zinc/87/89/04/1210878904.db2.gz LPHBOVDBNQCMGW-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180273 1210906366 /nfs/dbraw/zinc/90/63/66/1210906366.db2.gz VUNPVPXBTROLRO-RDJZCZTQSA-N 2 0 362.518 0.777 20 0 FCADRP COC(=O)[C@@H](F)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000888016288 1210925512 /nfs/dbraw/zinc/92/55/12/1210925512.db2.gz GIIKRFHVPPAYBC-HNNXBMFYSA-N 2 0 367.425 0.404 20 0 FCADRP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830507 1210986787 /nfs/dbraw/zinc/98/67/87/1210986787.db2.gz FQWFPFKVQAYHIQ-WEXBMKDWSA-N 2 0 363.502 0.996 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCC3(CC[N@H+](CCN(C)C)C3)CC2)CC1 ZINC001274371411 1211039629 /nfs/dbraw/zinc/03/96/29/1211039629.db2.gz YFMOZVPLXWECHB-UHFFFAOYSA-N 2 0 365.566 0.500 20 0 FCADRP Cn1cncc1CN1CC[C@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001275152685 1211181950 /nfs/dbraw/zinc/18/19/50/1211181950.db2.gz NVCIYVWFAXPRRU-HNAYVOBHSA-N 2 0 359.474 0.903 20 0 FCADRP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176157 1211189748 /nfs/dbraw/zinc/18/97/48/1211189748.db2.gz HGRQGDHCRJPPHL-QUCCMNQESA-N 2 0 365.566 0.498 20 0 FCADRP COc1ncc(C[N@@H+]2CC[C@]3(CCN(CCn4ccnc4)C3=O)C2)cn1 ZINC001275365889 1211223711 /nfs/dbraw/zinc/22/37/11/1211223711.db2.gz QUQHOAAAALAJNM-SFHVURJKSA-N 2 0 356.430 0.806 20 0 FCADRP COc1cccnc1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275380236 1211226289 /nfs/dbraw/zinc/22/62/89/1211226289.db2.gz PELCFUPEDYIOPV-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP O=C1C[C@@]2(CCC[N@H+](Cc3cnccn3)C2)C(=O)N1CCn1ccnc1 ZINC001275472670 1211247476 /nfs/dbraw/zinc/24/74/76/1211247476.db2.gz PRULGRQASGLHJM-GOSISDBHSA-N 2 0 354.414 0.714 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510890 1211253131 /nfs/dbraw/zinc/25/31/31/1211253131.db2.gz AYAYOHFKQRZYSY-HNAYVOBHSA-N 2 0 369.506 0.687 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@@H]3C(=O)NC[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001275555918 1211255741 /nfs/dbraw/zinc/25/57/41/1211255741.db2.gz ZFONLVGZYMSNRM-DLBZAZTESA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C3)CC1 ZINC001275576963 1211259161 /nfs/dbraw/zinc/25/91/61/1211259161.db2.gz PTROSLBDAANSFD-HOTGVXAUSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4nonc4c3)C2)OCC1=O ZINC001275719684 1211274961 /nfs/dbraw/zinc/27/49/61/1211274961.db2.gz MCZGMVXRIWYBSH-SFHVURJKSA-N 2 0 359.430 0.588 20 0 FCADRP O=C1C[C@]2(CN1CC1CCOCC1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737599 1211278919 /nfs/dbraw/zinc/27/89/19/1211278919.db2.gz LWWVPGSGNYAQOP-FQEVSTJZSA-N 2 0 365.518 0.964 20 0 FCADRP O=C1CC[C@@H](CN2C(=O)C[C@]3(CCC[N@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736147 1211278960 /nfs/dbraw/zinc/27/89/60/1211278960.db2.gz CDXWWHFJQIKOKZ-KXBFYZLASA-N 2 0 362.474 0.106 20 0 FCADRP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736542 1211278975 /nfs/dbraw/zinc/27/89/75/1211278975.db2.gz FSOUFTPPQDTHRL-IBGZPJMESA-N 2 0 364.490 0.352 20 0 FCADRP COC[C@@H](NC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)C(=O)OC ZINC001275738256 1211279182 /nfs/dbraw/zinc/27/91/82/1211279182.db2.gz WQXCOFWPKZRRFD-JKSUJKDBSA-N 2 0 367.490 0.392 20 0 FCADRP O=C1CC[C@H](CN2CC3(CCC2=O)CC[NH+](CC2CC[NH2+]CC2)CC3)N1 ZINC001275738061 1211279402 /nfs/dbraw/zinc/27/94/02/1211279402.db2.gz SOQYFNXEIFOQAY-QGZVFWFLSA-N 2 0 362.518 0.969 20 0 FCADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(CCC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275800620 1211286347 /nfs/dbraw/zinc/28/63/47/1211286347.db2.gz UOVAKABMLUVAQU-KRWDZBQOSA-N 2 0 361.490 0.681 20 0 FCADRP COC(=O)[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]32)C1 ZINC001275817530 1211290559 /nfs/dbraw/zinc/29/05/59/1211290559.db2.gz OLAWTKQCAPBFQR-YQQAZPJKSA-N 2 0 360.458 0.542 20 0 FCADRP C[NH+]1CCC(C)(CN2CC3(C2)COCC(=O)N3Cc2ncccn2)CC1 ZINC001275833801 1211293949 /nfs/dbraw/zinc/29/39/49/1211293949.db2.gz QCEZSXLJFQJYBM-UHFFFAOYSA-N 2 0 359.474 0.622 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCN(Cc4nncn4C)C3=O)C2)CC1 ZINC001275880613 1211304213 /nfs/dbraw/zinc/30/42/13/1211304213.db2.gz VAALXITWAAOPMU-LJQANCHMSA-N 2 0 360.506 0.971 20 0 FCADRP CN(C)C(=O)CCN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881253 1211304973 /nfs/dbraw/zinc/30/49/73/1211304973.db2.gz XUAHMCUVLMXDLE-QFBILLFUSA-N 2 0 366.506 0.110 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879220 1211306352 /nfs/dbraw/zinc/30/63/52/1211306352.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 2 0 361.490 0.565 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001095424166 1211333858 /nfs/dbraw/zinc/33/38/58/1211333858.db2.gz HHVHOTHZSQIHBZ-QZWWFDLISA-N 2 0 361.490 0.075 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001095424206 1211333947 /nfs/dbraw/zinc/33/39/47/1211333947.db2.gz IKRPOODXWDDCRJ-XWSJACJDSA-N 2 0 372.517 0.958 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4n[nH]cc43)C2)OCC1=O ZINC001276247633 1211391980 /nfs/dbraw/zinc/39/19/80/1211391980.db2.gz GHMJGEKANFVLNW-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247534 1211392222 /nfs/dbraw/zinc/39/22/22/1211392222.db2.gz PQTSMAPXHBBIGI-FZKQIMNGSA-N 2 0 362.430 0.570 20 0 FCADRP Cc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c(N)n1 ZINC001276260275 1211396477 /nfs/dbraw/zinc/39/64/77/1211396477.db2.gz SVNOLDOIRGMCOR-LJQANCHMSA-N 2 0 361.490 0.585 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCC(=O)NC1=O)c1cc2c[nH]ccc-2n1 ZINC001095619764 1211428423 /nfs/dbraw/zinc/42/84/23/1211428423.db2.gz UHOOGYMIGFZLTJ-XTBFLFJDSA-N 2 0 367.409 0.703 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCc2cncn2C1 ZINC001095646168 1211433921 /nfs/dbraw/zinc/43/39/21/1211433921.db2.gz SPUWHMNLCDEEDK-FSDCSDTHSA-N 2 0 372.473 0.192 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924662896 1211476812 /nfs/dbraw/zinc/47/68/12/1211476812.db2.gz RUNAKHFQXSNJEF-CQSZACIVSA-N 2 0 359.474 0.895 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000924779356 1211480370 /nfs/dbraw/zinc/48/03/70/1211480370.db2.gz YZYPRSYFJFQZLC-AWEZNQCLSA-N 2 0 367.494 0.095 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925351836 1211496945 /nfs/dbraw/zinc/49/69/45/1211496945.db2.gz YYSZWWXLDKGZKT-BRWVUGGUSA-N 2 0 364.490 0.771 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000925442166 1211500467 /nfs/dbraw/zinc/50/04/67/1211500467.db2.gz XOBNAANLWYEFRR-QGZVFWFLSA-N 2 0 374.485 0.363 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000925494658 1211501677 /nfs/dbraw/zinc/50/16/77/1211501677.db2.gz LNFSJFASDSJMEI-CVEARBPZSA-N 2 0 359.474 0.529 20 0 FCADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000925568429 1211502229 /nfs/dbraw/zinc/50/22/29/1211502229.db2.gz ARKXKKQCQAGYKA-MOPGFXCFSA-N 2 0 360.502 0.989 20 0 FCADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926357171 1211538680 /nfs/dbraw/zinc/53/86/80/1211538680.db2.gz NPPKUCMVFKSDQN-CYBMUJFWSA-N 2 0 359.474 0.893 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000927835611 1211584249 /nfs/dbraw/zinc/58/42/49/1211584249.db2.gz DHDQTUIKKXHFRN-UHFFFAOYSA-N 2 0 369.425 0.885 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)[NH2+]C1 ZINC001221391119 1225305266 /nfs/dbraw/zinc/30/52/66/1225305266.db2.gz AVSSZSXJCGOCLB-HKUYNNGSSA-N 2 0 359.518 0.771 20 0 FCADRP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001221404898 1225307614 /nfs/dbraw/zinc/30/76/14/1225307614.db2.gz MEFOWNUBOBYXCL-JXFKEZNVSA-N 2 0 358.486 0.285 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001221410875 1225307706 /nfs/dbraw/zinc/30/77/06/1225307706.db2.gz SKPYNUPMMRCHDU-MDYRTPRTSA-N 2 0 354.454 0.600 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001221410878 1225307992 /nfs/dbraw/zinc/30/79/92/1225307992.db2.gz SKPYNUPMMRCHDU-VPWXQRGCSA-N 2 0 354.454 0.600 20 0 FCADRP COc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000931253787 1211747523 /nfs/dbraw/zinc/74/75/23/1211747523.db2.gz BCALZNKKDONPPZ-UHFFFAOYSA-N 2 0 356.430 0.822 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440785 1211756107 /nfs/dbraw/zinc/75/61/07/1211756107.db2.gz LHQOSZLEYZJSGF-YESZJQIVSA-N 2 0 358.490 0.397 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000931611491 1211763595 /nfs/dbraw/zinc/76/35/95/1211763595.db2.gz VEIHCNONBMUEFY-YOEHRIQHSA-N 2 0 359.474 0.707 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000931610839 1211763814 /nfs/dbraw/zinc/76/38/14/1211763814.db2.gz HYXPJOOASCRFOJ-PBHICJAKSA-N 2 0 359.474 0.707 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111020435 1211785085 /nfs/dbraw/zinc/78/50/85/1211785085.db2.gz BFUFMCZAZAJMKE-HPBDAGMYSA-N 2 0 366.506 0.345 20 0 FCADRP CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038501 1211816359 /nfs/dbraw/zinc/81/63/59/1211816359.db2.gz CKUHYVJCOZCBGQ-HZMVEIRTSA-N 2 0 366.506 0.345 20 0 FCADRP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)n1 ZINC000932811244 1211823116 /nfs/dbraw/zinc/82/31/16/1211823116.db2.gz ICSIOAVDUAHABU-OAHLLOKOSA-N 2 0 356.430 0.978 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000933841486 1211848940 /nfs/dbraw/zinc/84/89/40/1211848940.db2.gz IFJZGDRFBMDVGE-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123804 1211892163 /nfs/dbraw/zinc/89/21/63/1211892163.db2.gz KFIMEINOTUQRHP-DDBAPUKQSA-N 2 0 363.506 0.941 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC000968867892 1212160064 /nfs/dbraw/zinc/16/00/64/1212160064.db2.gz JJFDYIWHCYDJDO-IKGGRYGDSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCCC1 ZINC001111277130 1212203455 /nfs/dbraw/zinc/20/34/55/1212203455.db2.gz BXSJASWMCSZEAE-ZACQAIPSSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001111280971 1212232345 /nfs/dbraw/zinc/23/23/45/1212232345.db2.gz FQIMJRVVTDZMRM-ZACQAIPSSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949318945 1212354270 /nfs/dbraw/zinc/35/42/70/1212354270.db2.gz DWHCZSPJWTYTMM-HYVNUMGLSA-N 2 0 360.502 0.387 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cnc3C)C2)CC[N@@H+]1C ZINC000949532744 1212402400 /nfs/dbraw/zinc/40/24/00/1212402400.db2.gz CLFSWSIYYSBOIZ-JWZBEHFJSA-N 2 0 361.490 0.954 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007186130 1212419184 /nfs/dbraw/zinc/41/91/84/1212419184.db2.gz OBQSVBLOLBFAMZ-FTRWYGJKSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001006448996 1212479386 /nfs/dbraw/zinc/47/93/86/1212479386.db2.gz NJEYQCQMFWFUEJ-ZMSDIMECSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000950791702 1212674638 /nfs/dbraw/zinc/67/46/38/1212674638.db2.gz AWZCITNUTGAWMR-KBRIMQKVSA-N 2 0 371.441 0.384 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000951357178 1212817338 /nfs/dbraw/zinc/81/73/38/1212817338.db2.gz GWFLYUQROHAUSJ-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001009278506 1212830720 /nfs/dbraw/zinc/83/07/20/1212830720.db2.gz ARFLDDFEXACQCX-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc(CC[NH3+])nn3)CC2)cc1 ZINC000641118940 1213213462 /nfs/dbraw/zinc/21/34/62/1213213462.db2.gz AZMHDMWUZSACMK-UHFFFAOYSA-N 2 0 372.473 0.522 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000957064696 1213242392 /nfs/dbraw/zinc/24/23/92/1213242392.db2.gz HEWNAHJREASLDK-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000957746190 1213354766 /nfs/dbraw/zinc/35/47/66/1213354766.db2.gz GPKVVNVPMDGHBB-HLLBOEOZSA-N 2 0 361.490 0.658 20 0 FCADRP COCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276315697 1213403142 /nfs/dbraw/zinc/40/31/42/1213403142.db2.gz MOBZFWNRLSSEQR-GOSISDBHSA-N 2 0 366.550 0.879 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001221773040 1225477020 /nfs/dbraw/zinc/47/70/20/1225477020.db2.gz WBKNLQGGBMNYDA-GVDBMIGSSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1)[NH+](C)C ZINC000960534934 1213809233 /nfs/dbraw/zinc/80/92/33/1213809233.db2.gz PKLNISXEFVRUGO-YESZJQIVSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827961 1213849717 /nfs/dbraw/zinc/84/97/17/1213849717.db2.gz CPCOYPPEQAZORA-FXAWDEMLSA-N 2 0 358.486 0.630 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418864455 1213867268 /nfs/dbraw/zinc/86/72/68/1213867268.db2.gz QTQXYBVHPXJLKJ-FXAWDEMLSA-N 2 0 356.470 0.732 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418995388 1213953072 /nfs/dbraw/zinc/95/30/72/1213953072.db2.gz IUTOQIYXHUAFAF-HXUWFJFHSA-N 2 0 358.486 0.979 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418995387 1213953157 /nfs/dbraw/zinc/95/31/57/1213953157.db2.gz IUTOQIYXHUAFAF-FQEVSTJZSA-N 2 0 358.486 0.979 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC[N@@H+]1C ZINC001017488127 1214102551 /nfs/dbraw/zinc/10/25/51/1214102551.db2.gz BXLAHBURGCKDEY-OLMNPRSZSA-N 2 0 362.518 0.942 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419505990 1214204308 /nfs/dbraw/zinc/20/43/08/1214204308.db2.gz LEPFSVYIGNSNGG-NQIIRXRSSA-N 2 0 370.497 0.979 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419537667 1214215974 /nfs/dbraw/zinc/21/59/74/1214215974.db2.gz VYODGMHGCSUNIC-BLIXFSHQSA-N 2 0 370.497 0.978 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019240045 1214223596 /nfs/dbraw/zinc/22/35/96/1214223596.db2.gz UCEMTKCXLIJKNK-BRWVUGGUSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)C1 ZINC001019443322 1214243213 /nfs/dbraw/zinc/24/32/13/1214243213.db2.gz MKGVCCCZCFXNFZ-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)CC[N@@H+]1C ZINC001020302263 1214333810 /nfs/dbraw/zinc/33/38/10/1214333810.db2.gz NHNACGIIOCFDPO-LUKYLMHMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CC[NH+](CC(=O)N(C)C)C3)CC2)CC[N@@H+]1C ZINC001039134200 1214372320 /nfs/dbraw/zinc/37/23/20/1214372320.db2.gz XZBOCIIOMRRQKL-BPQIPLTHSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)c1noc(CNCC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000961987713 1214393314 /nfs/dbraw/zinc/39/33/14/1214393314.db2.gz COBNWPOPVBRVBD-XSCHDIRWSA-N 2 0 365.478 0.897 20 0 FCADRP CCCc1noc(CNCC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000961992625 1214395835 /nfs/dbraw/zinc/39/58/35/1214395835.db2.gz XDIQRPXETJNATG-XSCHDIRWSA-N 2 0 365.478 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001040707935 1214570291 /nfs/dbraw/zinc/57/02/91/1214570291.db2.gz LQXPCNRHIPSYKM-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001040707932 1214570407 /nfs/dbraw/zinc/57/04/07/1214570407.db2.gz LQXPCNRHIPSYKM-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950452 1225548864 /nfs/dbraw/zinc/54/88/64/1225548864.db2.gz IQSSMBIITSPPKS-KZNAEPCWSA-N 2 0 371.522 0.131 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950142 1225549124 /nfs/dbraw/zinc/54/91/24/1225549124.db2.gz VNHGSKIOBWGJAW-FGTMMUONSA-N 2 0 365.518 0.648 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221950764 1225550151 /nfs/dbraw/zinc/55/01/51/1225550151.db2.gz WZMYJLZOXKQKJZ-FGTMMUONSA-N 2 0 369.506 0.293 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000963344220 1214798504 /nfs/dbraw/zinc/79/85/04/1214798504.db2.gz JQMLRTAEXKCADF-RDHHWEPZSA-N 2 0 365.522 0.711 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC000963811723 1214855608 /nfs/dbraw/zinc/85/56/08/1214855608.db2.gz OSDGNXXAWYNXKH-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC3(C2)CC([NH2+]CCO)C3)CC1 ZINC000963815659 1214856595 /nfs/dbraw/zinc/85/65/95/1214856595.db2.gz JFMRCJDKVQWJBV-INFDXNDLSA-N 2 0 365.518 0.743 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000964237829 1214925042 /nfs/dbraw/zinc/92/50/42/1214925042.db2.gz PSOQUPRCZVAYFZ-HYVNUMGLSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000964934461 1215007172 /nfs/dbraw/zinc/00/71/72/1215007172.db2.gz NBYLXIOCODQWDA-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]21 ZINC001222051499 1225590932 /nfs/dbraw/zinc/59/09/32/1225590932.db2.gz YJQPXBXVLXBCAY-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276827200 1225596328 /nfs/dbraw/zinc/59/63/28/1225596328.db2.gz KJUNOTIGKGFZNF-LPHOPBHVSA-N 2 0 369.506 0.567 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC001000702104 1216108319 /nfs/dbraw/zinc/10/83/19/1216108319.db2.gz QDNBKVNGKXFISM-KBAYOESNSA-N 2 0 362.518 0.991 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001001427004 1216197292 /nfs/dbraw/zinc/19/72/92/1216197292.db2.gz ZRMZNVVKPNAPCD-ARFHVFGLSA-N 2 0 364.490 0.350 20 0 FCADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623015 1216467814 /nfs/dbraw/zinc/46/78/14/1216467814.db2.gz BJTRITUVPNRTEF-VNQPRFMTSA-N 2 0 363.462 0.142 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001051623590 1216467867 /nfs/dbraw/zinc/46/78/67/1216467867.db2.gz HPJTZLBCLIDFLG-AYOQOUSVSA-N 2 0 361.486 0.836 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)ncn3)C2)CC[N@@H+]1C ZINC001051624500 1216469980 /nfs/dbraw/zinc/46/99/80/1216469980.db2.gz QNSXJRSQVULOAR-FGTMMUONSA-N 2 0 361.490 0.832 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccn3CC)C2)CC[N@@H+]1C ZINC001051624939 1216470097 /nfs/dbraw/zinc/47/00/97/1216470097.db2.gz WHFMGGLYADPATL-YESZJQIVSA-N 2 0 363.506 0.950 20 0 FCADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057970802 1216615948 /nfs/dbraw/zinc/61/59/48/1216615948.db2.gz JIIPXTFKJDVVBS-HUUCEWRRSA-N 2 0 365.478 0.182 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@@H+]1C ZINC001041299826 1217272837 /nfs/dbraw/zinc/27/28/37/1217272837.db2.gz FLVWCWGGZUVSLV-SQGPQFPESA-N 2 0 362.518 0.873 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246080 1225768028 /nfs/dbraw/zinc/76/80/28/1225768028.db2.gz UCYPUJIHVWMXOM-MSOLQXFVSA-N 2 0 368.522 0.402 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900192321 1217969318 /nfs/dbraw/zinc/96/93/18/1217969318.db2.gz LKIWKTXFJNSGLQ-CTNGQTDRSA-N 2 0 374.529 0.895 20 0 FCADRP C[NH+]1CCN(CCO[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001224552925 1225783822 /nfs/dbraw/zinc/78/38/22/1225783822.db2.gz UIFSNIVIGTYOJT-IRXDYDNUSA-N 2 0 368.522 0.944 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000900512997 1218000937 /nfs/dbraw/zinc/00/09/37/1218000937.db2.gz QXLZMMGIUAVIBT-QGZVFWFLSA-N 2 0 367.538 0.106 20 0 FCADRP CCOC(=O)[C@H]1CCCN(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000900586892 1218008992 /nfs/dbraw/zinc/00/89/92/1218008992.db2.gz SGXSOXKABAZSHZ-IRXDYDNUSA-N 2 0 369.506 0.831 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000900672169 1218022650 /nfs/dbraw/zinc/02/26/50/1218022650.db2.gz AISNIWHTRPBPPQ-GOSISDBHSA-N 2 0 365.566 0.687 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000900693110 1218024940 /nfs/dbraw/zinc/02/49/40/1218024940.db2.gz MYDHLTJBFKWNEE-LJQANCHMSA-N 2 0 367.582 0.792 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001046334852 1218027591 /nfs/dbraw/zinc/02/75/91/1218027591.db2.gz WSUCVARQBKCNTN-QMTMVMCOSA-N 2 0 364.490 0.446 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001046334851 1218027850 /nfs/dbraw/zinc/02/78/50/1218027850.db2.gz WSUCVARQBKCNTN-KHYOSLBOSA-N 2 0 364.490 0.446 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000901229866 1218096471 /nfs/dbraw/zinc/09/64/71/1218096471.db2.gz VZGRUCJHLIYXMC-MRXNPFEDSA-N 2 0 369.506 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829893 1218324791 /nfs/dbraw/zinc/32/47/91/1218324791.db2.gz BXNHVBDBVJCJNA-RZFLPCETSA-N 2 0 362.518 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048922904 1218342138 /nfs/dbraw/zinc/34/21/38/1218342138.db2.gz BTLXTHUHVULADS-YVSFHVDLSA-N 2 0 368.522 0.089 20 0 FCADRP C[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)CCN1CC[NH2+]CC1 ZINC000903422405 1218408520 /nfs/dbraw/zinc/40/85/20/1218408520.db2.gz BOESFZDSPIKMSD-UHFFFAOYSA-N 2 0 360.458 0.136 20 0 FCADRP O=C1c2ccccc2C(=O)N1CCOCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453864 1218415827 /nfs/dbraw/zinc/41/58/27/1218415827.db2.gz OGUAOSOIXIDJFH-MRXNPFEDSA-N 2 0 372.469 0.279 20 0 FCADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733530 1218510244 /nfs/dbraw/zinc/51/02/44/1218510244.db2.gz NFISMQHLRMBULU-KSSFIOAISA-N 2 0 357.462 0.254 20 0 FCADRP O=C(CN1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903734350 1218510663 /nfs/dbraw/zinc/51/06/63/1218510663.db2.gz XSHRVPIKKVWBHT-SFHVURJKSA-N 2 0 364.534 0.775 20 0 FCADRP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)C1 ZINC001096583168 1218564742 /nfs/dbraw/zinc/56/47/42/1218564742.db2.gz KDRIMCMMUHUZAE-VSZNYVQBSA-N 2 0 361.490 0.405 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001097085559 1218685374 /nfs/dbraw/zinc/68/53/74/1218685374.db2.gz IKRPOODXWDDCRJ-HCXYKTFWSA-N 2 0 372.517 0.958 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227056707 1225862332 /nfs/dbraw/zinc/86/23/32/1225862332.db2.gz JGIWVWRVGNTLGE-RBSFLKMASA-N 2 0 369.510 0.579 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)O1 ZINC001227028906 1225861468 /nfs/dbraw/zinc/86/14/68/1225861468.db2.gz SEVOLIPPCUCZEW-MWQQHZPXSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001226904183 1225857681 /nfs/dbraw/zinc/85/76/81/1225857681.db2.gz OICVXLBUGSWAAF-KZNAEPCWSA-N 3 0 368.570 0.003 20 0 FCADRP CO[C@@H](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055540521 1219072608 /nfs/dbraw/zinc/07/26/08/1219072608.db2.gz PJEITVGLMRPLOB-ZMSDIMECSA-N 2 0 368.522 0.448 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227091091 1225863435 /nfs/dbraw/zinc/86/34/35/1225863435.db2.gz KXHJMPOCPDNGIC-RBSFLKMASA-N 2 0 367.494 0.333 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055578283 1219085689 /nfs/dbraw/zinc/08/56/89/1219085689.db2.gz LYJFYGNRTUXJCE-JXXFODFXSA-N 2 0 362.518 0.825 20 0 FCADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055583022 1219086933 /nfs/dbraw/zinc/08/69/33/1219086933.db2.gz UXHUKMRASMVEON-ZWKOTPCHSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cnco3)CC2)CC[N@@H+]1C ZINC001055583668 1219088177 /nfs/dbraw/zinc/08/81/77/1219088177.db2.gz XOFGDROURKLOIY-UKRRQHHQSA-N 2 0 363.462 0.325 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055589765 1219090746 /nfs/dbraw/zinc/09/07/46/1219090746.db2.gz PQLYWYNACBNSSA-NVXWUHKLSA-N 2 0 368.522 0.591 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097088 1219167644 /nfs/dbraw/zinc/16/76/44/1219167644.db2.gz BEVNQCZOMSYMJY-UAGQMJEPSA-N 2 0 362.478 0.140 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070218740 1219301197 /nfs/dbraw/zinc/30/11/97/1219301197.db2.gz QUBOLPMJEZXLCV-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n3ccnn3)C2)ccc2c[nH+]cn21 ZINC001070224240 1219304660 /nfs/dbraw/zinc/30/46/60/1219304660.db2.gz URXVEZIHARAJEF-JLZZUVOBSA-N 2 0 369.429 0.270 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)ccc2c[nH+]cn21 ZINC001070224312 1219304709 /nfs/dbraw/zinc/30/47/09/1219304709.db2.gz YVUGHQAZQFLPNF-CVEARBPZSA-N 2 0 357.393 0.859 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070268980 1219337392 /nfs/dbraw/zinc/33/73/92/1219337392.db2.gz VRFFTGYDBAMHRN-FGTMMUONSA-N 2 0 371.489 0.801 20 0 FCADRP O=C(Cc1cnc[nH]1)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070284377 1219348428 /nfs/dbraw/zinc/34/84/28/1219348428.db2.gz AFSQEYFACPPBRK-XHSDSOJGSA-N 2 0 359.434 0.155 20 0 FCADRP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070327674 1219378171 /nfs/dbraw/zinc/37/81/71/1219378171.db2.gz ASNAXEDQKMEWQY-BBWFWOEESA-N 2 0 364.494 0.244 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070328232 1219378949 /nfs/dbraw/zinc/37/89/49/1219378949.db2.gz RIFWBYQBEULATK-BBWFWOEESA-N 2 0 362.478 0.142 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070367155 1219398717 /nfs/dbraw/zinc/39/87/17/1219398717.db2.gz HNNHOFHYYANIDL-AOIWGVFYSA-N 2 0 362.518 0.966 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070371721 1219401648 /nfs/dbraw/zinc/40/16/48/1219401648.db2.gz FOHPZQWPMGMXIC-LMMKCTJWSA-N 2 0 362.518 0.824 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2[NH2+]CCO)c1 ZINC001070547361 1219462729 /nfs/dbraw/zinc/46/27/29/1219462729.db2.gz YYPGFCONMKUDMW-PKOBYXMFSA-N 2 0 371.485 0.672 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070564151 1219471211 /nfs/dbraw/zinc/47/12/11/1219471211.db2.gz XHLMZPSUJQNMIB-ZIFCJYIRSA-N 2 0 368.485 0.851 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070564103 1219471492 /nfs/dbraw/zinc/47/14/92/1219471492.db2.gz VGAQDUQXAJIGRO-XYJFISCASA-N 2 0 371.489 0.153 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070565326 1219472051 /nfs/dbraw/zinc/47/20/51/1219472051.db2.gz PYYBDFRFFHOFST-PKOBYXMFSA-N 2 0 368.485 0.995 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCO ZINC001070668225 1219516980 /nfs/dbraw/zinc/51/69/80/1219516980.db2.gz ITJCFASEULLJAN-HZPDHXFCSA-N 2 0 354.414 0.258 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913087 1219565582 /nfs/dbraw/zinc/56/55/82/1219565582.db2.gz BBDQEMDWJHXARI-OAGGEKHMSA-N 2 0 364.490 0.987 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001228216175 1225901963 /nfs/dbraw/zinc/90/19/63/1225901963.db2.gz TYLQZHSJXOYNNM-GVDBMIGSSA-N 2 0 363.506 0.603 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917993 1219573458 /nfs/dbraw/zinc/57/34/58/1219573458.db2.gz QFLMRQVYYZCTNX-ZACQAIPSSA-N 2 0 364.490 0.843 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001228260497 1225906222 /nfs/dbraw/zinc/90/62/22/1225906222.db2.gz BMZGHPKNPVJPDT-GVDBMIGSSA-N 2 0 368.522 0.329 20 0 FCADRP CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001071072709 1219600459 /nfs/dbraw/zinc/60/04/59/1219600459.db2.gz JAWWEXDEHWHTAQ-GPCAFAEISA-N 2 0 363.502 0.855 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752500 1219621613 /nfs/dbraw/zinc/62/16/13/1219621613.db2.gz MYRQHFMSWYRMJE-ZACQAIPSSA-N 2 0 362.518 0.870 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074596156 1219699316 /nfs/dbraw/zinc/69/93/16/1219699316.db2.gz KTKIXQWBHMWDTC-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001074658979 1219712150 /nfs/dbraw/zinc/71/21/50/1219712150.db2.gz PZDSSEFPPORXBG-YHUYYLMFSA-N 2 0 364.490 0.445 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354788 1225914207 /nfs/dbraw/zinc/91/42/07/1225914207.db2.gz DNNZQYJMAHXONP-RRFJBIMHSA-N 2 0 369.510 0.578 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001228355704 1225914456 /nfs/dbraw/zinc/91/44/56/1225914456.db2.gz RXEUIUIWMIQPOM-ZIAGYGMSSA-N 2 0 369.510 0.579 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001098370967 1219768210 /nfs/dbraw/zinc/76/82/10/1219768210.db2.gz DJNBTXLBNLJELM-CRAIPNDOSA-N 2 0 363.506 0.546 20 0 FCADRP CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749361734 1219793811 /nfs/dbraw/zinc/79/38/11/1219793811.db2.gz CXMIABKELBZHLP-RTBURBONSA-N 2 0 368.566 0.296 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111460364 1219827133 /nfs/dbraw/zinc/82/71/33/1219827133.db2.gz SLEJCCMQFHUGLM-ZACQAIPSSA-N 2 0 363.506 0.609 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099011102 1219888298 /nfs/dbraw/zinc/88/82/98/1219888298.db2.gz URBLWLAEGDDVIJ-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099114400 1219918240 /nfs/dbraw/zinc/91/82/40/1219918240.db2.gz RWSZAXRWIZGONS-VHFSOBRXSA-N 2 0 362.518 0.953 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099122632 1219921987 /nfs/dbraw/zinc/92/19/87/1219921987.db2.gz DKNIHPMOUMOCFT-YRNRMSPPSA-N 2 0 360.502 0.674 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159891 1219935006 /nfs/dbraw/zinc/93/50/06/1219935006.db2.gz LMIAALZMSBYIGX-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001099445705 1219998848 /nfs/dbraw/zinc/99/88/48/1219998848.db2.gz CDUPSDAKCIRUBE-KNBMTAEXSA-N 2 0 362.518 0.968 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001099446276 1219999360 /nfs/dbraw/zinc/99/93/60/1219999360.db2.gz KJLNBPHUXNEDBC-BXWFABGCSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001099453240 1220002393 /nfs/dbraw/zinc/00/23/93/1220002393.db2.gz HIZTZUYDWNWMEG-IYOUNJFTSA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001099499628 1220015186 /nfs/dbraw/zinc/01/51/86/1220015186.db2.gz KUMFKXJCVMVDSW-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)[nH]1 ZINC001099525509 1220023304 /nfs/dbraw/zinc/02/33/04/1220023304.db2.gz FZBKUNXRKDOILA-KXBFYZLASA-N 2 0 358.490 0.927 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001099525627 1220023875 /nfs/dbraw/zinc/02/38/75/1220023875.db2.gz LTQIWKZSCGYLJA-YRNRMSPPSA-N 2 0 360.502 0.579 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277791 1220263224 /nfs/dbraw/zinc/26/32/24/1220263224.db2.gz YRRYCEUWRBRSDT-MDZRGWNJSA-N 2 0 368.522 0.260 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317046 1220284360 /nfs/dbraw/zinc/28/43/60/1220284360.db2.gz DZTLAAMXSLXJFD-MDZRGWNJSA-N 2 0 361.490 0.968 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@]2(C)C1 ZINC001101351292 1220298651 /nfs/dbraw/zinc/29/86/51/1220298651.db2.gz BLOPRAFYOLDMAK-SYNHAJSKSA-N 2 0 362.518 0.872 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402615 1220325437 /nfs/dbraw/zinc/32/54/37/1220325437.db2.gz RRHNLVTYLCZNRX-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432256 1220341615 /nfs/dbraw/zinc/34/16/15/1220341615.db2.gz JGRSEKJWZXAAJW-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101441256 1220346917 /nfs/dbraw/zinc/34/69/17/1220346917.db2.gz OZVCKPNVKRVTHG-APWZRJJASA-N 2 0 365.522 0.524 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC001101461437 1220358506 /nfs/dbraw/zinc/35/85/06/1220358506.db2.gz BIADFTABGSYIBQ-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC001101461580 1220359323 /nfs/dbraw/zinc/35/93/23/1220359323.db2.gz JGGKCRJANKAQRA-UZLBHIALSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001101474289 1220366789 /nfs/dbraw/zinc/36/67/89/1220366789.db2.gz RJFLPZWOUGTYDH-HLIPFELVSA-N 2 0 362.518 0.921 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478155 1220368514 /nfs/dbraw/zinc/36/85/14/1220368514.db2.gz AKLFQISERAZERC-MJGOQNOKSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228932576 1225964432 /nfs/dbraw/zinc/96/44/32/1225964432.db2.gz QKJBZKVUUOHRND-RBSFLKMASA-N 2 0 367.494 0.461 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976195 1220450136 /nfs/dbraw/zinc/45/01/36/1220450136.db2.gz OHSQJAMMIUZJQT-DJIMGWMZSA-N 2 0 364.534 0.927 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020951 1220466404 /nfs/dbraw/zinc/46/64/04/1220466404.db2.gz FUWGMHVOKVIANJ-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059185 1220481390 /nfs/dbraw/zinc/48/13/90/1220481390.db2.gz FNEWWQGCMRHYRD-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070569 1220485786 /nfs/dbraw/zinc/48/57/86/1220485786.db2.gz NTGXBJQYIBEWFA-NUJGCVRESA-N 2 0 370.538 0.409 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091214 1220493422 /nfs/dbraw/zinc/49/34/22/1220493422.db2.gz XROALGBJSLECCT-NXHRZFHOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108401 1220499623 /nfs/dbraw/zinc/49/96/23/1220499623.db2.gz KXILZZQBUCNOHC-HZPDHXFCSA-N 2 0 371.489 0.921 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273715 1220569300 /nfs/dbraw/zinc/56/93/00/1220569300.db2.gz NCCMILSFALWZPT-ZACQAIPSSA-N 2 0 368.522 0.304 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294038 1220578271 /nfs/dbraw/zinc/57/82/71/1220578271.db2.gz FCUSIJQHUMAVBX-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368337 1220596418 /nfs/dbraw/zinc/59/64/18/1220596418.db2.gz PXTUVDHDGUADMQ-JFIYKMOQSA-N 2 0 368.522 0.308 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376890 1220600927 /nfs/dbraw/zinc/60/09/27/1220600927.db2.gz ARAOPUVTLKSLJJ-SJLPKXTDSA-N 2 0 360.502 0.591 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513234 1220672308 /nfs/dbraw/zinc/67/23/08/1220672308.db2.gz AXNQDOVGNMEDAH-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP COc1cncc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513736 1220672570 /nfs/dbraw/zinc/67/25/70/1220672570.db2.gz ZIZFGZNWJJFYJV-HUUCEWRRSA-N 2 0 365.478 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514245 1220673150 /nfs/dbraw/zinc/67/31/50/1220673150.db2.gz RFVVLUDHHQTQMA-KZNAEPCWSA-N 2 0 365.518 0.962 20 0 FCADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596560 1220717763 /nfs/dbraw/zinc/71/77/63/1220717763.db2.gz MDZKMXLZRXANIE-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598977 1220721367 /nfs/dbraw/zinc/72/13/67/1220721367.db2.gz ISGKNRNTZORFNA-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102601298 1220723036 /nfs/dbraw/zinc/72/30/36/1220723036.db2.gz WDKUCGKOYBUKIC-HZPDHXFCSA-N 2 0 368.522 0.306 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001229239027 1225991674 /nfs/dbraw/zinc/99/16/74/1225991674.db2.gz UYCLWIVYEXOTLO-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783195 1220781774 /nfs/dbraw/zinc/78/17/74/1220781774.db2.gz YVYGLDOQPKPSGS-NXHRZFHOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001103005048 1220818774 /nfs/dbraw/zinc/81/87/74/1220818774.db2.gz MVENQDSHZACMLZ-JOCBIADPSA-N 2 0 364.534 0.927 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103142744 1220839538 /nfs/dbraw/zinc/83/95/38/1220839538.db2.gz AYLZBWOAFTYISE-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148023 1220840307 /nfs/dbraw/zinc/84/03/07/1220840307.db2.gz KVAPLTKVNQHFGU-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162836 1220842141 /nfs/dbraw/zinc/84/21/41/1220842141.db2.gz LXEKNGWSXPXHBX-BZUAXINKSA-N 2 0 361.490 0.856 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375052 1220872890 /nfs/dbraw/zinc/87/28/90/1220872890.db2.gz WQRRENKMMFWJSK-ZIAGYGMSSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641781 1220924523 /nfs/dbraw/zinc/92/45/23/1220924523.db2.gz CXUNSZFRXHVFJJ-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642107 1220925643 /nfs/dbraw/zinc/92/56/43/1220925643.db2.gz QZLSDTKMBFJTBD-ZACQAIPSSA-N 2 0 368.522 0.260 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nn1C ZINC001103641894 1220926059 /nfs/dbraw/zinc/92/60/59/1220926059.db2.gz IPVLDCFNFUXNBA-NVXWUHKLSA-N 2 0 365.522 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646978 1220927488 /nfs/dbraw/zinc/92/74/88/1220927488.db2.gz OAVGQYQDBYTQTG-HZPDHXFCSA-N 2 0 363.506 0.182 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662827 1220932408 /nfs/dbraw/zinc/93/24/08/1220932408.db2.gz TWXQISWREUFZDQ-RBSFLKMASA-N 2 0 369.510 0.376 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719258 1220952934 /nfs/dbraw/zinc/95/29/34/1220952934.db2.gz WXPKFWXKYHJOQE-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111766924 1221097457 /nfs/dbraw/zinc/09/74/57/1221097457.db2.gz IRZFIOBVRWMKOM-BQFCYCMXSA-N 2 0 366.485 0.929 20 0 FCADRP CN(CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)c1cc[nH+]cc1 ZINC001111794697 1221112434 /nfs/dbraw/zinc/11/24/34/1221112434.db2.gz FQUDNYXDGIIKES-VPWXQRGCSA-N 2 0 371.485 0.767 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938307 1221179891 /nfs/dbraw/zinc/17/98/91/1221179891.db2.gz VQPXWWDIKXUSPL-HKUYNNGSSA-N 2 0 363.506 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001111949418 1221182169 /nfs/dbraw/zinc/18/21/69/1221182169.db2.gz DFHRZYWOTMGFMR-KXBFYZLASA-N 2 0 364.490 0.448 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112396767 1221251930 /nfs/dbraw/zinc/25/19/30/1221251930.db2.gz CPVVYFCUIZDDEW-QRFRQXIXSA-N 2 0 365.518 0.840 20 0 FCADRP CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229693199 1226027736 /nfs/dbraw/zinc/02/77/36/1226027736.db2.gz PBOMSFIFEZMRQA-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711155 1226030067 /nfs/dbraw/zinc/03/00/67/1226030067.db2.gz XXNKLAOJURNPSB-GVDBMIGSSA-N 2 0 370.538 0.742 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229717845 1226030530 /nfs/dbraw/zinc/03/05/30/1226030530.db2.gz YRHDUHRKTJTPLV-ZACQAIPSSA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229716330 1226030765 /nfs/dbraw/zinc/03/07/65/1226030765.db2.gz HGJVWGPUZIQBLO-BRWVUGGUSA-N 2 0 370.538 0.837 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716298 1226030865 /nfs/dbraw/zinc/03/08/65/1226030865.db2.gz GKFDWDJNGBGEKZ-GVDBMIGSSA-N 2 0 369.506 0.123 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229837802 1226036918 /nfs/dbraw/zinc/03/69/18/1226036918.db2.gz UOCSQHQLCYTZTD-HUUCEWRRSA-N 2 0 367.494 0.287 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC001116971879 1221413451 /nfs/dbraw/zinc/41/34/51/1221413451.db2.gz YROCETRQDDPPNN-DLBZAZTESA-N 2 0 366.506 0.081 20 0 FCADRP CC[C@@H]1C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117179709 1221491010 /nfs/dbraw/zinc/49/10/10/1221491010.db2.gz BKPXLMUYEBICOY-NVXWUHKLSA-N 2 0 359.474 0.625 20 0 FCADRP Cc1cccc2nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn21 ZINC001117288630 1221505861 /nfs/dbraw/zinc/50/58/61/1221505861.db2.gz QJJFVZFCAMIOES-UHFFFAOYSA-N 2 0 374.489 0.211 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117311821 1221514581 /nfs/dbraw/zinc/51/45/81/1221514581.db2.gz OXONFOVVFRGRHW-IRXDYDNUSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001117359113 1221532010 /nfs/dbraw/zinc/53/20/10/1221532010.db2.gz GKGUAKLXABDKEN-VYDXJSESSA-N 2 0 366.506 0.202 20 0 FCADRP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149557 1226059571 /nfs/dbraw/zinc/05/95/71/1226059571.db2.gz NJJLHGJSERXVCP-RCCFBDPRSA-N 2 0 371.522 0.635 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149687 1226058891 /nfs/dbraw/zinc/05/88/91/1226058891.db2.gz PXQPHQVHERZLJE-GVDBMIGSSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001117954446 1221666243 /nfs/dbraw/zinc/66/62/43/1221666243.db2.gz ALPSDBDKVIAXFC-MRXNPFEDSA-N 2 0 359.474 0.554 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)ccc1N1CC[NH+](C)CC1 ZINC001117956164 1221666859 /nfs/dbraw/zinc/66/68/59/1221666859.db2.gz OBUCXUOVHMTOJX-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC001118333376 1221762440 /nfs/dbraw/zinc/76/24/40/1221762440.db2.gz MDMDQYWNOVAFHJ-LUKYLMHMSA-N 2 0 366.506 0.141 20 0 FCADRP NC(=O)CNC(=O)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001118387869 1221772413 /nfs/dbraw/zinc/77/24/13/1221772413.db2.gz XTUGSXZYXMDALM-QGZVFWFLSA-N 2 0 360.458 0.245 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001118606431 1221807493 /nfs/dbraw/zinc/80/74/93/1221807493.db2.gz ONXNBLHJXFQBMN-IRXDYDNUSA-N 2 0 371.485 0.578 20 0 FCADRP Cn1nnnc1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230335417 1226074463 /nfs/dbraw/zinc/07/44/63/1226074463.db2.gz ZUDLSIZHPZXCOD-HZPDHXFCSA-N 2 0 363.510 0.993 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001230284462 1226071746 /nfs/dbraw/zinc/07/17/46/1226071746.db2.gz GIRCSPCXNULVPJ-GVDBMIGSSA-N 2 0 368.522 0.327 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001230284561 1226072056 /nfs/dbraw/zinc/07/20/56/1226072056.db2.gz KXHVQVKEUBVVME-BRWVUGGUSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356449 1221905181 /nfs/dbraw/zinc/90/51/81/1221905181.db2.gz HBCZECOCUNXMNE-BGTYHANMSA-N 2 0 358.486 0.867 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001119356898 1221905398 /nfs/dbraw/zinc/90/53/98/1221905398.db2.gz MYVHHXZIDARWRB-HOCLYGCPSA-N 2 0 365.522 0.047 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001119356896 1221905532 /nfs/dbraw/zinc/90/55/32/1221905532.db2.gz MYVHHXZIDARWRB-GDBMZVCRSA-N 2 0 365.522 0.047 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC001119372128 1221909193 /nfs/dbraw/zinc/90/91/93/1221909193.db2.gz ZWNMFWRXXSXVJE-YJBOKZPZSA-N 2 0 370.457 0.998 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001119425635 1221915995 /nfs/dbraw/zinc/91/59/95/1221915995.db2.gz ZVEQNIJHMYCIQK-FUHWJXTLSA-N 2 0 367.538 0.552 20 0 FCADRP O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001119637211 1221943249 /nfs/dbraw/zinc/94/32/49/1221943249.db2.gz ZIDURGVUPQMLGB-LSDHHAIUSA-N 2 0 357.458 0.235 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001120395234 1222077456 /nfs/dbraw/zinc/07/74/56/1222077456.db2.gz QXHZBSKKQGSFDW-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C[C@H]1C[NH+](C)C ZINC001120578669 1222105757 /nfs/dbraw/zinc/10/57/57/1222105757.db2.gz GHXDCJCQIKATPI-PSBWJHGTSA-N 3 0 359.518 0.992 20 0 FCADRP C[C@H](CC(=O)N[C@H]1C[NH+]2CCC1CC2)CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120774386 1222120274 /nfs/dbraw/zinc/12/02/74/1222120274.db2.gz OHCUDPOVFQVLBA-GBEXYDAJSA-N 2 0 362.518 0.824 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC001121025080 1222140500 /nfs/dbraw/zinc/14/05/00/1222140500.db2.gz RNJDGFMPLHAPFX-INIZCTEOSA-N 2 0 359.474 0.587 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001121923324 1222224702 /nfs/dbraw/zinc/22/47/02/1222224702.db2.gz XPFCBXYTYBFGDI-NVXWUHKLSA-N 2 0 368.522 0.626 20 0 FCADRP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001122137012 1222243898 /nfs/dbraw/zinc/24/38/98/1222243898.db2.gz UAAIRCKKJUKIPB-BRWVUGGUSA-N 3 0 367.538 0.295 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825897 1222360138 /nfs/dbraw/zinc/36/01/38/1222360138.db2.gz WGZDUGXFRUNCMY-YOEHRIQHSA-N 2 0 359.474 0.305 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825896 1222360685 /nfs/dbraw/zinc/36/06/85/1222360685.db2.gz WGZDUGXFRUNCMY-WMLDXEAASA-N 2 0 359.474 0.305 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000829500352 1222439698 /nfs/dbraw/zinc/43/96/98/1222439698.db2.gz KWTWAOIKZIBFHC-HZPDHXFCSA-N 2 0 374.489 0.526 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2ccc(N3CCOCC3)nc2)CCC1=O ZINC001139434557 1222550251 /nfs/dbraw/zinc/55/02/51/1222550251.db2.gz FDCRECDUYBGQPS-UHFFFAOYSA-N 2 0 361.490 0.514 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)COCC(=O)N4)cn2)CC1 ZINC001232365611 1226148433 /nfs/dbraw/zinc/14/84/33/1226148433.db2.gz PBYGGQKZMXKEGC-UHFFFAOYSA-N 2 0 359.474 0.314 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841143113 1222809510 /nfs/dbraw/zinc/80/95/10/1222809510.db2.gz INNUZIRAPXHFGX-OAHLLOKOSA-N 2 0 359.474 0.717 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1 ZINC000841147824 1222810077 /nfs/dbraw/zinc/81/00/77/1222810077.db2.gz FXBOCMSSVOQWHW-MRXNPFEDSA-N 2 0 373.501 0.976 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000841208009 1222813905 /nfs/dbraw/zinc/81/39/05/1222813905.db2.gz WOQRTMQUNLZTJK-HOTGVXAUSA-N 2 0 373.501 0.976 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000841266354 1222817148 /nfs/dbraw/zinc/81/71/48/1222817148.db2.gz XBCWLEWBPDKLEP-PBHICJAKSA-N 2 0 357.458 0.197 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000841279244 1222817528 /nfs/dbraw/zinc/81/75/28/1222817528.db2.gz DRPKXLYVSHWPQQ-RHSMWYFYSA-N 2 0 359.474 0.573 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841287660 1222817975 /nfs/dbraw/zinc/81/79/75/1222817975.db2.gz HSCIIVGXHYWJEL-CQSZACIVSA-N 2 0 363.462 0.733 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841846300 1222830147 /nfs/dbraw/zinc/83/01/47/1222830147.db2.gz GTVHEMXHZLFZDU-BBRMVZONSA-N 2 0 374.441 0.402 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191012 1222839581 /nfs/dbraw/zinc/83/95/81/1222839581.db2.gz VUDYNCJNFIEOIX-YLJYHZDGSA-N 2 0 358.486 0.883 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000842201036 1222840442 /nfs/dbraw/zinc/84/04/42/1222840442.db2.gz GOWQZSLUFIOYQO-OKZBNKHCSA-N 2 0 356.470 0.540 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000842215466 1222842792 /nfs/dbraw/zinc/84/27/92/1222842792.db2.gz VAKVCXKRTWPCOY-GOSISDBHSA-N 2 0 358.486 0.937 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000842513393 1222848463 /nfs/dbraw/zinc/84/84/63/1222848463.db2.gz XTAZZPRVZPPYFS-BRWVUGGUSA-N 2 0 357.458 0.433 20 0 FCADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843057869 1222858077 /nfs/dbraw/zinc/85/80/77/1222858077.db2.gz NAALLSBNBJYCAJ-WMZOPIPTSA-N 2 0 374.485 0.631 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc4nonc43)CC[C@@H]2C1 ZINC001203130971 1222859887 /nfs/dbraw/zinc/85/98/87/1222859887.db2.gz ZWDMVFNCNQRUMI-RHSMWYFYSA-N 2 0 373.457 0.834 20 0 FCADRP Cc1nc(N)ccc1C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277693569 1226159533 /nfs/dbraw/zinc/15/95/33/1226159533.db2.gz BFTZHYNVWPFGPS-LJQANCHMSA-N 2 0 359.474 0.875 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)nn1 ZINC000843336581 1222870360 /nfs/dbraw/zinc/87/03/60/1222870360.db2.gz YWOPHHNNPGMKRE-CYBMUJFWSA-N 2 0 372.429 0.788 20 0 FCADRP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)C2=O ZINC000843353807 1222872183 /nfs/dbraw/zinc/87/21/83/1222872183.db2.gz KWLUTPROULBZME-UHFFFAOYSA-N 2 0 365.478 0.720 20 0 FCADRP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CCC([NH3+])CC1 ZINC000843353867 1222872373 /nfs/dbraw/zinc/87/23/73/1222872373.db2.gz NXPAGRVMEHPETK-UHFFFAOYSA-N 2 0 365.478 0.864 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354335 1222872661 /nfs/dbraw/zinc/87/26/61/1222872661.db2.gz ZCCHPXFJMZLRAS-ZIAGYGMSSA-N 2 0 365.478 0.722 20 0 FCADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843368331 1222873493 /nfs/dbraw/zinc/87/34/93/1222873493.db2.gz QSPFTYHYILPTDM-KRWDZBQOSA-N 2 0 363.462 0.348 20 0 FCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843384846 1222874636 /nfs/dbraw/zinc/87/46/36/1222874636.db2.gz CMSFUDGMRKJBHC-AWEZNQCLSA-N 2 0 365.478 0.866 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001143306679 1222876865 /nfs/dbraw/zinc/87/68/65/1222876865.db2.gz IECGMJZVUCHMSH-UHFFFAOYSA-N 2 0 360.506 0.315 20 0 FCADRP O=C(c1cccnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2)N1CC[NH2+]CC1 ZINC001155826739 1223045124 /nfs/dbraw/zinc/04/51/24/1223045124.db2.gz POOVEMYSTKBBBU-QFBILLFUSA-N 2 0 359.474 0.840 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001157336364 1223074592 /nfs/dbraw/zinc/07/45/92/1223074592.db2.gz NVLJVRQZEITWSX-SYNHAJSKSA-N 2 0 373.501 0.072 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2)C(=O)N1CCCC1 ZINC001157371228 1223075744 /nfs/dbraw/zinc/07/57/44/1223075744.db2.gz QCBBRKKSILFFEV-GJYPPUQNSA-N 2 0 366.506 0.381 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001157715818 1223080932 /nfs/dbraw/zinc/08/09/32/1223080932.db2.gz IGDJQGKZLDVNTE-ROUUACIJSA-N 2 0 357.458 0.248 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CC1 ZINC001157741449 1223081036 /nfs/dbraw/zinc/08/10/36/1223081036.db2.gz XDFKJXMGGIXZOG-ZOCIIQOWSA-N 2 0 360.433 0.775 20 0 FCADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001157847136 1223082852 /nfs/dbraw/zinc/08/28/52/1223082852.db2.gz KGVITHZCNOEDPZ-IYOUNJFTSA-N 2 0 371.485 0.740 20 0 FCADRP Cc1nc(-n2cncn2)cc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)n1 ZINC001157847978 1223082965 /nfs/dbraw/zinc/08/29/65/1223082965.db2.gz LKVKYTBXJZNDKY-UHFFFAOYSA-N 2 0 356.478 0.830 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082354 1223088431 /nfs/dbraw/zinc/08/84/31/1223088431.db2.gz OPYIGBWGWWYJPB-HOTGVXAUSA-N 3 0 365.522 0.164 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)Cc1ccc2ccccc2c1 ZINC001158093085 1223088516 /nfs/dbraw/zinc/08/85/16/1223088516.db2.gz RUDQBHVCMLZKFI-RXVVDRJESA-N 2 0 366.465 0.790 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)Cc1cccc2ccccc21 ZINC001158093539 1223088686 /nfs/dbraw/zinc/08/86/86/1223088686.db2.gz XAFQOVKVPADKAU-DYESRHJHSA-N 2 0 366.465 0.790 20 0 FCADRP O=C([C@@H]1C[C@H](c2ccccc2)CC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120473 1223089330 /nfs/dbraw/zinc/08/93/30/1223089330.db2.gz NFYHCENAUFABKV-WWMYMODYSA-N 2 0 368.481 0.460 20 0 FCADRP [NH3+][C@@H](CSc1ccccc1)CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120426 1223089453 /nfs/dbraw/zinc/08/94/53/1223089453.db2.gz MOTFMDNYFGPVKJ-AUUYWEPGSA-N 2 0 374.510 0.434 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138385 1223089737 /nfs/dbraw/zinc/08/97/37/1223089737.db2.gz UATONZBIHNCEHI-IPMKNSEASA-N 2 0 373.497 0.897 20 0 FCADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262648 1223092651 /nfs/dbraw/zinc/09/26/51/1223092651.db2.gz UPGSPJBONVMNAJ-MRXNPFEDSA-N 2 0 352.442 0.414 20 0 FCADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[nH]1 ZINC001158281797 1223093593 /nfs/dbraw/zinc/09/35/93/1223093593.db2.gz BYNAJYWRUNRYBA-WBVHZDCISA-N 2 0 364.494 0.456 20 0 FCADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282492 1223093943 /nfs/dbraw/zinc/09/39/43/1223093943.db2.gz SRANSXIWOALTPA-WBVHZDCISA-N 2 0 364.494 0.158 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001158282629 1223094000 /nfs/dbraw/zinc/09/40/00/1223094000.db2.gz UGPPILLVKZQNFJ-AEFFLSMTSA-N 2 0 366.506 0.108 20 0 FCADRP [NH3+]Cc1cccc2c1cnn2-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001158313011 1223094485 /nfs/dbraw/zinc/09/44/85/1223094485.db2.gz RFGGTJDCYGTOBJ-UHFFFAOYSA-N 2 0 351.414 0.714 20 0 FCADRP O=C(c1cccnc1N1CCO[C@H](C[NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC001158309635 1223094640 /nfs/dbraw/zinc/09/46/40/1223094640.db2.gz PQMRYVAHRIPAKI-MRXNPFEDSA-N 2 0 359.474 0.428 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@@H+]1C ZINC001158411332 1223096862 /nfs/dbraw/zinc/09/68/62/1223096862.db2.gz CQQFFSWDEMGPPT-DLBZAZTESA-N 2 0 371.489 0.989 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@@H+]1C ZINC001158428564 1223097404 /nfs/dbraw/zinc/09/74/04/1223097404.db2.gz JIHPWWXKFADRMI-HZPDHXFCSA-N 2 0 371.485 0.833 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421223 1223097562 /nfs/dbraw/zinc/09/75/62/1223097562.db2.gz CZUBFDIYVDOKOL-MLHJIOFPSA-N 2 0 357.454 0.870 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001158497582 1223100700 /nfs/dbraw/zinc/10/07/00/1223100700.db2.gz CWHIDJJFIHDZRJ-VCOSZWKGSA-N 2 0 367.396 0.587 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001158497904 1223100724 /nfs/dbraw/zinc/10/07/24/1223100724.db2.gz ISBAOKUEXLBPHE-FJIDUMEYSA-N 2 0 357.454 0.481 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535948 1223101717 /nfs/dbraw/zinc/10/17/17/1223101717.db2.gz ZQWKNPDSDQGHPN-QMYADUOMSA-N 2 0 355.442 0.412 20 0 FCADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158545306 1223101940 /nfs/dbraw/zinc/10/19/40/1223101940.db2.gz ATWXKDVIJZNQKP-SUMDDJOVSA-N 2 0 354.454 0.070 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569299 1223102172 /nfs/dbraw/zinc/10/21/72/1223102172.db2.gz XRMHLCQLVOKCSI-QYZOEREBSA-N 2 0 354.498 0.918 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661659 1223105021 /nfs/dbraw/zinc/10/50/21/1223105021.db2.gz YFTIETSMPBUYJR-YPMHNXCESA-N 2 0 360.393 0.591 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(CCCN2c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001158759592 1223107352 /nfs/dbraw/zinc/10/73/52/1223107352.db2.gz RLNUQLAFDWIXDL-MRXNPFEDSA-N 2 0 358.490 0.765 20 0 FCADRP NC1(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901867 1223112157 /nfs/dbraw/zinc/11/21/57/1223112157.db2.gz ILKAUARLVCTBQG-CXAGYDPISA-N 2 0 363.437 0.156 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158905425 1223113047 /nfs/dbraw/zinc/11/30/47/1223113047.db2.gz XBIFWVIKABKSTA-QWQRMKEZSA-N 2 0 364.421 0.453 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158976044 1223114708 /nfs/dbraw/zinc/11/47/08/1223114708.db2.gz BKFMGVQSVRPYLO-GOSISDBHSA-N 3 0 363.550 0.604 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159135604 1223118285 /nfs/dbraw/zinc/11/82/85/1223118285.db2.gz XJTFXZWQRZLHKY-CVEARBPZSA-N 2 0 364.494 0.037 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001159135573 1223118433 /nfs/dbraw/zinc/11/84/33/1223118433.db2.gz XFXMLVBDMVLTAH-OKZBNKHCSA-N 2 0 374.533 0.477 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001159135761 1223118585 /nfs/dbraw/zinc/11/85/85/1223118585.db2.gz ZAQJOCUEIXKEDR-RDJZCZTQSA-N 2 0 357.458 0.679 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159147687 1223118947 /nfs/dbraw/zinc/11/89/47/1223118947.db2.gz YOMNDRSAUOUTNG-QFBILLFUSA-N 2 0 362.474 0.797 20 0 FCADRP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc2c(nn1)CC[NH2+]C2 ZINC001159147381 1223119075 /nfs/dbraw/zinc/11/90/75/1223119075.db2.gz WZBOJNUGVAHHHL-UHFFFAOYSA-N 2 0 353.430 0.990 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160206 1223119685 /nfs/dbraw/zinc/11/96/85/1223119685.db2.gz FKRVIAFXYZKRRU-INIZCTEOSA-N 2 0 357.462 0.157 20 0 FCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001159191021 1223120149 /nfs/dbraw/zinc/12/01/49/1223120149.db2.gz QGFJBXRBQISILX-GXTWGEPZSA-N 2 0 363.462 0.239 20 0 FCADRP N[C@@]1(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CCC[NH2+]C1 ZINC001159236594 1223121491 /nfs/dbraw/zinc/12/14/91/1223121491.db2.gz RQAOTJDQEXIDJZ-IBGZPJMESA-N 2 0 369.473 0.038 20 0 FCADRP Nc1cccnc1N(c1cnc(N2CC[NH2+]CC2)nc1)C1CC[NH2+]CC1 ZINC001159288595 1223123051 /nfs/dbraw/zinc/12/30/51/1223123051.db2.gz CPPKGWNLGBAZGN-UHFFFAOYSA-N 2 0 354.462 0.754 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001159284680 1223123158 /nfs/dbraw/zinc/12/31/58/1223123158.db2.gz ZKLMWFBIROZBPP-HNNXBMFYSA-N 2 0 358.446 0.254 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316383 1223123983 /nfs/dbraw/zinc/12/39/83/1223123983.db2.gz GKMWUJOPDDSOOO-XFKSJGNHSA-N 2 0 373.501 0.210 20 0 FCADRP Cc1cccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339439 1223125000 /nfs/dbraw/zinc/12/50/00/1223125000.db2.gz NTCHMSOYRDUIRV-SXLOBPIMSA-N 2 0 358.486 0.930 20 0 FCADRP Cc1cccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159341019 1223125264 /nfs/dbraw/zinc/12/52/64/1223125264.db2.gz ZJXGIDGTSOBPGU-PKOBYXMFSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)CC[C@@H]21 ZINC001159533815 1223129109 /nfs/dbraw/zinc/12/91/09/1223129109.db2.gz JRAVKWYXGIKKHW-VUHPKUFZSA-N 2 0 360.506 0.274 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560772 1223129934 /nfs/dbraw/zinc/12/99/34/1223129934.db2.gz NYIPHCNLBZUIRP-OGWOLHLISA-N 2 0 373.501 0.882 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)[C@H]2C ZINC001159634589 1223131812 /nfs/dbraw/zinc/13/18/12/1223131812.db2.gz ZUHDHWHQTYWVMD-HOCLYGCPSA-N 3 0 360.506 0.436 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159698327 1223134420 /nfs/dbraw/zinc/13/44/20/1223134420.db2.gz LRKGKLBWLAZXKC-SJORKVTESA-N 2 0 368.481 0.318 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159697381 1223134628 /nfs/dbraw/zinc/13/46/28/1223134628.db2.gz NGBCXWNFKVTEDC-MWDXBVQZSA-N 2 0 372.469 0.275 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159764055 1223135920 /nfs/dbraw/zinc/13/59/20/1223135920.db2.gz DELLTIZRNIDGLF-NCOADZHNSA-N 2 0 366.506 0.080 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853185 1223138387 /nfs/dbraw/zinc/13/83/87/1223138387.db2.gz ALFBTYUELNABKH-NJAFHUGGSA-N 3 0 374.460 0.299 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21)C1CC[NH2+]CC1 ZINC001160025889 1223143099 /nfs/dbraw/zinc/14/30/99/1223143099.db2.gz FEQQLQBKJYXLNM-NCOADZHNSA-N 2 0 364.490 0.084 20 0 FCADRP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160054038 1223143603 /nfs/dbraw/zinc/14/36/03/1223143603.db2.gz WNFWVCLKQLWBPF-WIYYLYMNSA-N 3 0 369.513 0.848 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086294 1223144693 /nfs/dbraw/zinc/14/46/93/1223144693.db2.gz VXYOPDYEKAYOHB-ABSDTBQOSA-N 2 0 373.501 0.783 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160109720 1223145855 /nfs/dbraw/zinc/14/58/55/1223145855.db2.gz GVFGNTXYHPFSAE-HOTGVXAUSA-N 2 0 359.474 0.503 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3cc4ccc(C[NH3+])cc4n3)n1)CC[NH2+]CC2 ZINC001160138874 1223146463 /nfs/dbraw/zinc/14/64/63/1223146463.db2.gz JULHBECMTRMNBM-UHFFFAOYSA-N 2 0 372.454 0.366 20 0 FCADRP O=C(N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160137210 1223146758 /nfs/dbraw/zinc/14/67/58/1223146758.db2.gz BZAKYNOMHLJZAU-DAQZSUFXSA-N 2 0 371.485 0.133 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001160169596 1223147166 /nfs/dbraw/zinc/14/71/66/1223147166.db2.gz WDARLYSGRZFTKU-LSDHHAIUSA-N 2 0 365.478 0.050 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2N)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172487 1223147314 /nfs/dbraw/zinc/14/73/14/1223147314.db2.gz XXFPPVBUJVTBMB-IRXDYDNUSA-N 2 0 366.469 0.685 20 0 FCADRP O=C([C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157023 1223147453 /nfs/dbraw/zinc/14/74/53/1223147453.db2.gz SRRCNSYKFMAYQZ-XSYGEPLQSA-N 2 0 363.502 0.857 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175445 1223148444 /nfs/dbraw/zinc/14/84/44/1223148444.db2.gz RPAKOQDCYJAWKG-UMVBOHGHSA-N 2 0 365.478 0.048 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160417419 1223158539 /nfs/dbraw/zinc/15/85/39/1223158539.db2.gz CEQUZRUYCXNJOL-HNAYVOBHSA-N 2 0 374.489 0.669 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001160422500 1223159030 /nfs/dbraw/zinc/15/90/30/1223159030.db2.gz HACXNTPTRZZKGT-WSIUPNEHSA-N 2 0 358.486 0.863 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001160423936 1223159092 /nfs/dbraw/zinc/15/90/92/1223159092.db2.gz NYOXWQZPBUEWJS-FTWQHDNSSA-N 2 0 358.486 0.721 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001160424481 1223159122 /nfs/dbraw/zinc/15/91/22/1223159122.db2.gz VAULNAONMSXBRE-UIXUWTQFSA-N 2 0 357.502 0.831 20 0 FCADRP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160443319 1223159742 /nfs/dbraw/zinc/15/97/42/1223159742.db2.gz GEAZRCNWXXQWQB-FOIQADDNSA-N 2 0 354.454 0.518 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(Oc2ccccc2)C1 ZINC001160498158 1223163179 /nfs/dbraw/zinc/16/31/79/1223163179.db2.gz FQGPGUWIAVWRCY-ROUUACIJSA-N 2 0 374.485 0.724 20 0 FCADRP O=C(N1CCN(Cc2c[nH]c3ncccc23)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160566224 1223164504 /nfs/dbraw/zinc/16/45/04/1223164504.db2.gz NMBASDTWMTVWAZ-OXQOHEQNSA-N 2 0 368.485 0.406 20 0 FCADRP COC(=O)c1ccc(CN2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)cc1 ZINC001160568974 1223164544 /nfs/dbraw/zinc/16/45/44/1223164544.db2.gz KWULAUHAKHUOEZ-KRWDZBQOSA-N 2 0 362.474 0.574 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001160669972 1223168236 /nfs/dbraw/zinc/16/82/36/1223168236.db2.gz OWZXFJCDQRAQCI-ZWKOTPCHSA-N 2 0 364.534 0.774 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780384 1223172058 /nfs/dbraw/zinc/17/20/58/1223172058.db2.gz POJYZGFDDUTSOX-OPYAIIAOSA-N 3 0 354.498 0.860 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C[C@H]1C2 ZINC001160792146 1223173241 /nfs/dbraw/zinc/17/32/41/1223173241.db2.gz QQMOLVAMQAVZNM-ZXOCMBNGSA-N 2 0 367.490 0.376 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160811405 1223174664 /nfs/dbraw/zinc/17/46/64/1223174664.db2.gz PFCGEYBHWHTZAT-ZRGWGRIASA-N 2 0 365.474 0.146 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007509 1223182960 /nfs/dbraw/zinc/18/29/60/1223182960.db2.gz KJFHJZBZTXGIAS-SJLPKXTDSA-N 2 0 354.454 0.820 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006834 1223182983 /nfs/dbraw/zinc/18/29/83/1223182983.db2.gz FZXPZTYRMPKZJC-WMZOPIPTSA-N 2 0 354.454 0.820 20 0 FCADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161000954 1223183028 /nfs/dbraw/zinc/18/30/28/1223183028.db2.gz WSYRIACVIFJVIP-KRWDZBQOSA-N 2 0 358.486 0.709 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)C1(C)CC[NH2+]CC1 ZINC001161072771 1223184516 /nfs/dbraw/zinc/18/45/16/1223184516.db2.gz GDDASQZOBWRPTA-GJZGRUSLSA-N 2 0 368.522 0.720 20 0 FCADRP O=C(N(c1ncnc2ccccc21)C1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001161089921 1223185626 /nfs/dbraw/zinc/18/56/26/1223185626.db2.gz JCEBAVYBRBKLDB-VBKZILBWSA-N 2 0 366.469 0.666 20 0 FCADRP COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161145734 1223187304 /nfs/dbraw/zinc/18/73/04/1223187304.db2.gz ITMRYEIXMFVZNR-IAGOWNOFSA-N 2 0 362.474 0.329 20 0 FCADRP O=C(N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001161196814 1223189084 /nfs/dbraw/zinc/18/90/84/1223189084.db2.gz SGBIXSOLKXGZLL-QUCCMNQESA-N 2 0 364.534 0.537 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321575 1223195913 /nfs/dbraw/zinc/19/59/13/1223195913.db2.gz KMXWFALVPKXLNX-XSWJXKHESA-N 2 0 368.522 0.754 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001161360019 1223196448 /nfs/dbraw/zinc/19/64/48/1223196448.db2.gz SHMQLIYJDRLMML-JKSUJKDBSA-N 2 0 369.469 0.834 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378270 1223197042 /nfs/dbraw/zinc/19/70/42/1223197042.db2.gz LKYYCVYRZWIOHA-JKSUJKDBSA-N 2 0 368.522 0.850 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413599 1223198502 /nfs/dbraw/zinc/19/85/02/1223198502.db2.gz QPGBKEMKSARLEN-YYQUZTFQSA-N 2 0 371.437 0.954 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH2+]C1 ZINC001161418661 1223198879 /nfs/dbraw/zinc/19/88/79/1223198879.db2.gz KDHDOXLGOJJTIN-KKXDTOCCSA-N 2 0 371.485 0.958 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444038 1223198894 /nfs/dbraw/zinc/19/88/94/1223198894.db2.gz AJBDEFRUINTYEZ-JKSUJKDBSA-N 3 0 370.538 0.968 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])C1Cc3ccccc3C1)CC2 ZINC001161480838 1223200712 /nfs/dbraw/zinc/20/07/12/1223200712.db2.gz VMGBPUAVNAWATR-ABSDTBQOSA-N 2 0 357.454 0.482 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161542363 1223203807 /nfs/dbraw/zinc/20/38/07/1223203807.db2.gz CKWOWWNBMFYYNW-SFHVURJKSA-N 2 0 369.469 0.892 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161580540 1223204888 /nfs/dbraw/zinc/20/48/88/1223204888.db2.gz XJNFELIZNAMMHU-SFHVURJKSA-N 2 0 353.470 0.954 20 0 FCADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001162283385 1223212781 /nfs/dbraw/zinc/21/27/81/1223212781.db2.gz YXRORJUYGGRVSU-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283019 1223213050 /nfs/dbraw/zinc/21/30/50/1223213050.db2.gz FXFPEHLIBRNFRR-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001162537385 1223218195 /nfs/dbraw/zinc/21/81/95/1223218195.db2.gz SRTDUGIHCLXPDM-AWEZNQCLSA-N 2 0 370.413 0.816 20 0 FCADRP c1ncc([C@@H]2C[NH+]3CCC2CC3)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973373 1223222889 /nfs/dbraw/zinc/22/28/89/1223222889.db2.gz JOAJCTQGIPVELF-CQSZACIVSA-N 2 0 354.462 0.983 20 0 FCADRP Cc1cc(OC2CC[NH2+]CC2)nc(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001163011151 1223223528 /nfs/dbraw/zinc/22/35/28/1223223528.db2.gz CYGMVPZMORZRFJ-UHFFFAOYSA-N 2 0 358.450 0.613 20 0 FCADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163163723 1223227910 /nfs/dbraw/zinc/22/79/10/1223227910.db2.gz LCKLYMWYQDIQSC-BRWVUGGUSA-N 2 0 360.506 0.997 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001164578776 1223240261 /nfs/dbraw/zinc/24/02/61/1223240261.db2.gz QUQUQSBELUUSPH-UONOGXRCSA-N 2 0 364.494 0.215 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001164582362 1223240347 /nfs/dbraw/zinc/24/03/47/1223240347.db2.gz JFZKAQJHJJACJD-OWCLPIDISA-N 2 0 360.506 0.982 20 0 FCADRP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165112353 1223242278 /nfs/dbraw/zinc/24/22/78/1223242278.db2.gz ZLPJHNBUQHQUPH-KRWDZBQOSA-N 2 0 360.506 0.966 20 0 FCADRP O=C1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)CC2(CC[NH2+]CC2)N1 ZINC001165257378 1223244140 /nfs/dbraw/zinc/24/41/40/1223244140.db2.gz IANSUCOLFHZPKR-UHFFFAOYSA-N 2 0 359.474 0.518 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cccc(N2CCC([NH3+])CC2)n1 ZINC001165407742 1223245844 /nfs/dbraw/zinc/24/58/44/1223245844.db2.gz VHDSFLZECYRXAS-CWRNSKLLSA-N 2 0 359.474 0.739 20 0 FCADRP CCn1cc(C[NH2+]CC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)nn1 ZINC001165727987 1223255226 /nfs/dbraw/zinc/25/52/26/1223255226.db2.gz LECSPYDSHXGURH-GDBMZVCRSA-N 2 0 364.494 0.393 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn(-c2ncc3c(n2)C[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937130 1223262292 /nfs/dbraw/zinc/26/22/92/1223262292.db2.gz JMVDGLKHSRDOGV-NSHDSACASA-N 2 0 353.430 0.536 20 0 FCADRP CC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001205212258 1223316970 /nfs/dbraw/zinc/31/69/70/1223316970.db2.gz RVIYUKXNRFWIQC-QXAKKESOSA-N 2 0 363.502 0.783 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205325727 1223320190 /nfs/dbraw/zinc/32/01/90/1223320190.db2.gz FQICYPIWDLBUQH-DLBZAZTESA-N 2 0 364.465 0.925 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205448162 1223323903 /nfs/dbraw/zinc/32/39/03/1223323903.db2.gz BBEQTGPLFCBHMS-JCGIZDLHSA-N 2 0 367.465 0.669 20 0 FCADRP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205511158 1223329323 /nfs/dbraw/zinc/32/93/23/1223329323.db2.gz ZRTSNOABZGNUTM-HRCADAONSA-N 2 0 366.506 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+]([C@@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513567 1223329848 /nfs/dbraw/zinc/32/98/48/1223329848.db2.gz OQXCOWLPYHRHNS-HRCADAONSA-N 2 0 366.506 0.141 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205572115 1223332074 /nfs/dbraw/zinc/33/20/74/1223332074.db2.gz CQCHNJGNVZWAKI-UAGQMJEPSA-N 2 0 362.449 0.550 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCNC(C)=O)C[C@H]2C)CC[N@@H+]1C ZINC001207001361 1223403410 /nfs/dbraw/zinc/40/34/10/1223403410.db2.gz VIYSPJZNFXKJCZ-BZZMCLGOSA-N 2 0 368.522 0.306 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337671 1223438724 /nfs/dbraw/zinc/43/87/24/1223438724.db2.gz UIXPDAFRFUDYKU-NXHRZFHOSA-N 2 0 368.522 0.450 20 0 FCADRP Cn1cc(C(=O)N[C@H]2C[N@H+](CC3CC[NH+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001207398167 1223443708 /nfs/dbraw/zinc/44/37/08/1223443708.db2.gz YQEQQYQOJMOAEZ-RCCFBDPRSA-N 2 0 361.490 0.724 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207483174 1223449515 /nfs/dbraw/zinc/44/95/15/1223449515.db2.gz UNIGQADWNKISIM-RTBURBONSA-N 3 0 366.550 0.829 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784095 1223479383 /nfs/dbraw/zinc/47/93/83/1223479383.db2.gz FBDXGIHIMSOICH-HLLBOEOZSA-N 2 0 361.490 0.821 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784451 1223479501 /nfs/dbraw/zinc/47/95/01/1223479501.db2.gz KSFCZDUTPGGIIL-NVXWUHKLSA-N 2 0 357.462 0.636 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001208070068 1223513330 /nfs/dbraw/zinc/51/33/30/1223513330.db2.gz CHLJTENEHWUACK-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281429 1223530617 /nfs/dbraw/zinc/53/06/17/1223530617.db2.gz IAFMIONQWYIIGA-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412805 1223541743 /nfs/dbraw/zinc/54/17/43/1223541743.db2.gz NMUWRKVQLLQAQN-MXSMSXNCSA-N 2 0 368.522 0.306 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612428 1223563300 /nfs/dbraw/zinc/56/33/00/1223563300.db2.gz IANPSBZZRIKICL-MANSERQUSA-N 2 0 365.518 0.772 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cnoc2)CC1 ZINC001276636970 1223613963 /nfs/dbraw/zinc/61/39/63/1223613963.db2.gz UXQQVGATCJNZGL-QZTJIDSGSA-N 2 0 361.490 0.877 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478705 1223623743 /nfs/dbraw/zinc/62/37/43/1223623743.db2.gz YKHYNMDQFVOSQQ-ZACQAIPSSA-N 2 0 366.506 0.204 20 0 FCADRP CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836980 1223652785 /nfs/dbraw/zinc/65/27/85/1223652785.db2.gz TVGQVQGMGJCSLK-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343908 1223736380 /nfs/dbraw/zinc/73/63/80/1223736380.db2.gz SAUOYKPIXHXJLE-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCCn1ccnc1 ZINC001211432957 1223741083 /nfs/dbraw/zinc/74/10/83/1223741083.db2.gz AHQUGDJSMXQVKR-NVXWUHKLSA-N 2 0 361.490 0.968 20 0 FCADRP C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444330 1223742887 /nfs/dbraw/zinc/74/28/87/1223742887.db2.gz VHHUUHMRRYZBLY-RBSFLKMASA-N 2 0 367.494 0.272 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192608 1223765535 /nfs/dbraw/zinc/76/55/35/1223765535.db2.gz TUIUMBBURSJANK-CBYDULDESA-N 2 0 367.490 0.092 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213189930 1223765694 /nfs/dbraw/zinc/76/56/94/1223765694.db2.gz JLRIJWFLDJYITF-CBYDULDESA-N 2 0 369.481 0.805 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369604 1223791094 /nfs/dbraw/zinc/79/10/94/1223791094.db2.gz YEFMEOPZDQJJGV-RCCFBDPRSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369548 1223791117 /nfs/dbraw/zinc/79/11/17/1223791117.db2.gz VHOXHYWXQXAEDQ-RCCFBDPRSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638465 1223826315 /nfs/dbraw/zinc/82/63/15/1223826315.db2.gz PRNLTWWLHNIMCE-RCCFBDPRSA-N 2 0 369.506 0.482 20 0 FCADRP CCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213756333 1223844998 /nfs/dbraw/zinc/84/49/98/1223844998.db2.gz SEBRDPMXJMYJDZ-GVDBMIGSSA-N 2 0 370.538 0.839 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213765020 1223846190 /nfs/dbraw/zinc/84/61/90/1223846190.db2.gz QCHUBDFNNHGAEZ-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863991 1223864078 /nfs/dbraw/zinc/86/40/78/1223864078.db2.gz XCBCRNSHNKAUCA-KZNAEPCWSA-N 2 0 371.522 0.587 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921876 1223873026 /nfs/dbraw/zinc/87/30/26/1223873026.db2.gz LHNUVWXZRDUVRJ-QZTJIDSGSA-N 2 0 363.506 0.654 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C)C1CC1 ZINC001214648343 1223929010 /nfs/dbraw/zinc/92/90/10/1223929010.db2.gz JFUMOBNBONSBAM-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001214845429 1223947501 /nfs/dbraw/zinc/94/75/01/1223947501.db2.gz UGQJGLQLVDCRGV-BPQIPLTHSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214861292 1223949135 /nfs/dbraw/zinc/94/91/35/1223949135.db2.gz PELCPTRVVCADPI-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889110 1223952243 /nfs/dbraw/zinc/95/22/43/1223952243.db2.gz HNLOTELJJWZEQR-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214955209 1223959349 /nfs/dbraw/zinc/95/93/49/1223959349.db2.gz REOUTHOABJYLFS-GDBMZVCRSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001214957160 1223959518 /nfs/dbraw/zinc/95/95/18/1223959518.db2.gz XLUCAPVWXCUZOX-OWCLPIDISA-N 2 0 368.522 0.258 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298826 1223991320 /nfs/dbraw/zinc/99/13/20/1223991320.db2.gz JEUVVTFYHWEPEG-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)on1 ZINC001215413536 1223998272 /nfs/dbraw/zinc/99/82/72/1223998272.db2.gz HQYILPWUXLRGGK-TZMCWYRMSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001215416225 1223998660 /nfs/dbraw/zinc/99/86/60/1223998660.db2.gz QAIITVPCBGWNCN-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001215422016 1223998778 /nfs/dbraw/zinc/99/87/78/1223998778.db2.gz UKSHXBXLYLRSSL-RBSFLKMASA-N 2 0 362.478 0.582 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215453691 1224000060 /nfs/dbraw/zinc/00/00/60/1224000060.db2.gz NXCRZWLZOZSANH-UKRRQHHQSA-N 2 0 360.462 0.193 20 0 FCADRP CC(C)CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458838 1224000410 /nfs/dbraw/zinc/00/04/10/1224000410.db2.gz MYHUXZYMPQSOKE-IAGOWNOFSA-N 2 0 370.538 0.554 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cnnn4CC)C[C@H]32)CC[N@@H+]1C ZINC000978181046 1248718093 /nfs/dbraw/zinc/71/80/93/1248718093.db2.gz PMYGCJRCSQQNPD-NNPSNHGLSA-N 2 0 360.506 0.822 20 0 FCADRP Cc1ccc(O)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276724386 1224005116 /nfs/dbraw/zinc/00/51/16/1224005116.db2.gz RLNHZBCEUXGSOS-LJQANCHMSA-N 2 0 362.474 0.708 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215865436 1224021338 /nfs/dbraw/zinc/02/13/38/1224021338.db2.gz QVQOJJYAMBMGOX-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216053396 1224031336 /nfs/dbraw/zinc/03/13/36/1224031336.db2.gz LFOLXIGYSLYZLY-FGTMMUONSA-N 2 0 363.506 0.412 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053100 1224031674 /nfs/dbraw/zinc/03/16/74/1224031674.db2.gz BLOULEAPNUYOBF-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216335209 1224045244 /nfs/dbraw/zinc/04/52/44/1224045244.db2.gz FTZCCFCUASFQSG-WRWLIDTKSA-N 2 0 360.502 0.988 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001216459204 1224052414 /nfs/dbraw/zinc/05/24/14/1224052414.db2.gz RDHLFRQCPRFIRJ-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216493818 1224053107 /nfs/dbraw/zinc/05/31/07/1224053107.db2.gz CGYKTQLPBJBQHJ-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752248 1224068480 /nfs/dbraw/zinc/06/84/80/1224068480.db2.gz JBHHRVWLWSMPMB-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757650 1224069152 /nfs/dbraw/zinc/06/91/52/1224069152.db2.gz HQODXLRFKDWYJR-IUODEOHRSA-N 2 0 362.478 0.497 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216758136 1224069335 /nfs/dbraw/zinc/06/93/35/1224069335.db2.gz XZBSNLMPSRYAPW-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216757751 1224069493 /nfs/dbraw/zinc/06/94/93/1224069493.db2.gz KTMUVTHWVPZTRQ-HLLBOEOZSA-N 2 0 366.506 0.012 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835932 1224076980 /nfs/dbraw/zinc/07/69/80/1224076980.db2.gz ODTYYQYMUSXZOT-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838694 1224077483 /nfs/dbraw/zinc/07/74/83/1224077483.db2.gz BQIZDNAWIQBXGR-KZNAEPCWSA-N 2 0 371.522 0.323 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216841009 1224078103 /nfs/dbraw/zinc/07/81/03/1224078103.db2.gz LXGDWCKTFTYYMW-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844624 1224078782 /nfs/dbraw/zinc/07/87/82/1224078782.db2.gz HAJZFQLYPZPQRQ-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216964519 1224082237 /nfs/dbraw/zinc/08/22/37/1224082237.db2.gz CRGKXDAFJQZCTA-RBSFLKMASA-N 2 0 367.494 0.272 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001216980618 1224083601 /nfs/dbraw/zinc/08/36/01/1224083601.db2.gz NDGYLNODYFNZTA-BZUAXINKSA-N 2 0 364.490 0.494 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985497169 1248945130 /nfs/dbraw/zinc/94/51/30/1248945130.db2.gz DBCZHHYPBRQXCG-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985497165 1248945986 /nfs/dbraw/zinc/94/59/86/1248945986.db2.gz DBCZHHYPBRQXCG-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214280 1249385051 /nfs/dbraw/zinc/38/50/51/1249385051.db2.gz MTILKFPUWMBVFI-TVKQPGBESA-N 2 0 364.534 0.974 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CCC1 ZINC000993606414 1249793278 /nfs/dbraw/zinc/79/32/78/1249793278.db2.gz KTKOIBOXDZJFBS-ARFHVFGLSA-N 2 0 359.474 0.583 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994027589 1250153470 /nfs/dbraw/zinc/15/34/70/1250153470.db2.gz BUKGJCFZWDOLSH-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000823072401 1245319819 /nfs/dbraw/zinc/31/98/19/1245319819.db2.gz OYKDJIRILUKZLU-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP COc1ccc(CCNC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848999213 1245390600 /nfs/dbraw/zinc/39/06/00/1245390600.db2.gz FIBNTFNJDNDCTP-MRXNPFEDSA-N 2 0 361.490 0.939 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000849062825 1245391452 /nfs/dbraw/zinc/39/14/52/1245391452.db2.gz SSGKJJMNKADVGT-UHFFFAOYSA-N 2 0 363.506 0.963 20 0 FCADRP CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1(C[NH3+])CCCCC1 ZINC000891563290 1245455377 /nfs/dbraw/zinc/45/53/77/1245455377.db2.gz CMKIDXQCBPCIBU-KRWDZBQOSA-N 2 0 367.538 0.696 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000903796995 1245478333 /nfs/dbraw/zinc/47/83/33/1245478333.db2.gz ZWRSTBFODSWSNG-UXHICEINSA-N 2 0 374.529 0.935 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000911516473 1245504655 /nfs/dbraw/zinc/50/46/55/1245504655.db2.gz KJGNTADDJUQYKJ-ZTFGCOKTSA-N 2 0 356.470 0.672 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000911517775 1245505120 /nfs/dbraw/zinc/50/51/20/1245505120.db2.gz MLOXYFVKNIEULA-ZTFGCOKTSA-N 2 0 358.486 0.966 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000911518656 1245505988 /nfs/dbraw/zinc/50/59/88/1245505988.db2.gz ZRWAPVSPVMBYBD-LBTBCDHLSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556039 1245512985 /nfs/dbraw/zinc/51/29/85/1245512985.db2.gz INSRHHINUPEWGR-HOTGVXAUSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556801 1245514115 /nfs/dbraw/zinc/51/41/15/1245514115.db2.gz MJQGEBLMPKHDDG-HOTGVXAUSA-N 2 0 359.474 0.767 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911560035 1245514893 /nfs/dbraw/zinc/51/48/93/1245514893.db2.gz BLWSGAMBHHDJQS-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP c1nc2n(c1C[NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCOC2 ZINC000921682331 1245647929 /nfs/dbraw/zinc/64/79/29/1245647929.db2.gz DNFNUQGMQSIYQI-UHFFFAOYSA-N 2 0 371.489 0.895 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000922342411 1245669842 /nfs/dbraw/zinc/66/98/42/1245669842.db2.gz ZVWBJIVFSVOFRF-CEXWTWQISA-N 2 0 364.534 0.916 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280658 1245703114 /nfs/dbraw/zinc/70/31/14/1245703114.db2.gz CDIJOBRVXAKBRO-WBVHZDCISA-N 2 0 365.449 0.709 20 0 FCADRP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000936084145 1245750303 /nfs/dbraw/zinc/75/03/03/1245750303.db2.gz UBSFAPWMLOJNEW-HZPDHXFCSA-N 2 0 359.474 0.914 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941370375 1246579915 /nfs/dbraw/zinc/57/99/15/1246579915.db2.gz WDNGKHQPBPEAMP-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000941486118 1246647918 /nfs/dbraw/zinc/64/79/18/1246647918.db2.gz LYHMOZGKKKXICT-BRWVUGGUSA-N 2 0 368.522 0.353 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000941485963 1246648546 /nfs/dbraw/zinc/64/85/46/1246648546.db2.gz HUHYHODXWVZRQF-NVXWUHKLSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000994219567 1250292202 /nfs/dbraw/zinc/29/22/02/1250292202.db2.gz QVVXVHMOUIJKRK-LZLYRXPVSA-N 2 0 364.534 0.881 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943058994 1247251523 /nfs/dbraw/zinc/25/15/23/1247251523.db2.gz RZBPJOVLIJJMQG-BRWVUGGUSA-N 2 0 371.441 0.384 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943068416 1247253204 /nfs/dbraw/zinc/25/32/04/1247253204.db2.gz BEJJZENOUJFWKF-IAGOWNOFSA-N 2 0 371.441 0.386 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976990536 1248512641 /nfs/dbraw/zinc/51/26/41/1248512641.db2.gz XWRDJQJNARECEJ-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1C ZINC000977208557 1248577326 /nfs/dbraw/zinc/57/73/26/1248577326.db2.gz NUTGJUITHMKZHB-SQZHQNNWSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995830691 1250998109 /nfs/dbraw/zinc/99/81/09/1250998109.db2.gz HLLOSFIIDRKKSY-RBSFLKMASA-N 2 0 364.490 0.302 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)[nH]1 ZINC001328442341 1265549519 /nfs/dbraw/zinc/54/95/19/1265549519.db2.gz GEGVPYFIDVKSNV-UHFFFAOYSA-N 2 0 367.417 0.699 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001328732719 1265603904 /nfs/dbraw/zinc/60/39/04/1265603904.db2.gz MBDUBTNJYZELLN-WMZOPIPTSA-N 2 0 360.502 0.987 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001328769910 1265609410 /nfs/dbraw/zinc/60/94/10/1265609410.db2.gz GBKLAFSWCTZXFA-CYBMUJFWSA-N 2 0 370.444 0.969 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCOC)C3)nn2)CC[N@@H+]1C ZINC000999985670 1252258765 /nfs/dbraw/zinc/25/87/65/1252258765.db2.gz DFGGHXWVPFJECI-YESZJQIVSA-N 2 0 364.494 0.518 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC001002082539 1252430262 /nfs/dbraw/zinc/43/02/62/1252430262.db2.gz FFHVOTWGCONBKL-RCCFBDPRSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3occc3C[NH+](C)C)C2)CC[N@@H+]1C ZINC001002238109 1252483589 /nfs/dbraw/zinc/48/35/89/1252483589.db2.gz NIBAZNKBUJOGEQ-CZUORRHYSA-N 2 0 362.474 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001002248386 1252488374 /nfs/dbraw/zinc/48/83/74/1252488374.db2.gz PVLBBOQXJWDYLC-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001002951075 1252748063 /nfs/dbraw/zinc/74/80/63/1252748063.db2.gz KJLDLTXDFRIZPQ-XDNAFOTISA-N 2 0 372.513 0.672 20 0 FCADRP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001002950126 1252748257 /nfs/dbraw/zinc/74/82/57/1252748257.db2.gz VDNNPLQHHGVLDJ-HCXYKTFWSA-N 2 0 374.529 0.918 20 0 FCADRP CCCn1nnnc1C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001026496688 1253846787 /nfs/dbraw/zinc/84/67/87/1253846787.db2.gz OKCNSAPBAAWGJA-PRLABOORSA-N 2 0 363.510 0.940 20 0 FCADRP C/C(=C/C(=O)N1CC[C@H](C[NH+](C)C)C1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001519776860 1265771382 /nfs/dbraw/zinc/77/13/82/1265771382.db2.gz PMUYBNNHKOUHSV-FAQRCVTKSA-N 2 0 350.507 0.753 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001027416300 1253852765 /nfs/dbraw/zinc/85/27/65/1253852765.db2.gz DGSJITFFIYHDJR-BZUAXINKSA-N 2 0 364.490 0.398 20 0 FCADRP CNC(=O)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001031681397 1253886433 /nfs/dbraw/zinc/88/64/33/1253886433.db2.gz PWTKYQYNGXUOJU-RDTXWAMCSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842711 1265782597 /nfs/dbraw/zinc/78/25/97/1265782597.db2.gz ZESDSLCMKSESGG-DNVCBOLYSA-N 2 0 358.486 0.970 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3nccn3C)C2)C[N@@H+]1C1CC1 ZINC001329645419 1265797909 /nfs/dbraw/zinc/79/79/09/1265797909.db2.gz SLEQEHVVZLCDDP-OAGGEKHMSA-N 2 0 373.501 0.943 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647928 1265798660 /nfs/dbraw/zinc/79/86/60/1265798660.db2.gz RPKVUCUMORTNDA-IUODEOHRSA-N 2 0 358.442 0.408 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001061622240 1254194984 /nfs/dbraw/zinc/19/49/84/1254194984.db2.gz NYOALDRLEVXLKG-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001329746166 1265827470 /nfs/dbraw/zinc/82/74/70/1265827470.db2.gz NYNSPZMEUFLPDB-KXBFYZLASA-N 2 0 366.506 0.143 20 0 FCADRP Cc1cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)n(C2CC[NH+](C)CC2)n1 ZINC001329795275 1265851047 /nfs/dbraw/zinc/85/10/47/1265851047.db2.gz RYDYGJHEUSTSLE-UHFFFAOYSA-N 2 0 374.449 0.734 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC001520192327 1265871617 /nfs/dbraw/zinc/87/16/17/1265871617.db2.gz QKNBIKKKLWTCNJ-AEFFLSMTSA-N 2 0 351.539 0.996 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001520192815 1265871710 /nfs/dbraw/zinc/87/17/10/1265871710.db2.gz SSTNWSVGMOJJAO-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065540142 1254546509 /nfs/dbraw/zinc/54/65/09/1254546509.db2.gz MJQZWIUKSYPSLZ-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1 ZINC001520304273 1265903049 /nfs/dbraw/zinc/90/30/49/1265903049.db2.gz SFSROYIIYRUDRT-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1 ZINC001520304272 1265903156 /nfs/dbraw/zinc/90/31/56/1265903156.db2.gz SFSROYIIYRUDRT-KSZLIROESA-N 2 0 364.534 0.977 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1 ZINC001078011049 1255167723 /nfs/dbraw/zinc/16/77/23/1255167723.db2.gz ZFLXNFYPQPDWSK-KZNAEPCWSA-N 2 0 359.470 0.631 20 0 FCADRP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174206 1255288133 /nfs/dbraw/zinc/28/81/33/1255288133.db2.gz DSOFUXMKCFZHCE-KZNAEPCWSA-N 2 0 361.486 0.741 20 0 FCADRP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)ncn1 ZINC001078405519 1255408797 /nfs/dbraw/zinc/40/87/97/1255408797.db2.gz PTTOCLSFMRZQKS-BPQIPLTHSA-N 2 0 361.490 0.832 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001079146708 1255458701 /nfs/dbraw/zinc/45/87/01/1255458701.db2.gz BXZAFGXFNGELMN-GUDVDZBRSA-N 2 0 361.486 0.394 20 0 FCADRP COCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001079155083 1255462045 /nfs/dbraw/zinc/46/20/45/1255462045.db2.gz LAZQOOPYLFUAQG-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079246156 1255486087 /nfs/dbraw/zinc/48/60/87/1255486087.db2.gz SOWIGNMQZXXDNY-FGTMMUONSA-N 2 0 365.518 0.793 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001079732449 1255587950 /nfs/dbraw/zinc/58/79/50/1255587950.db2.gz LPQJLELAXQFIEU-QKPAOTATSA-N 2 0 364.490 0.302 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039164 1255722393 /nfs/dbraw/zinc/72/23/93/1255722393.db2.gz ZZFHKFQLUNLXAL-IXDOHACOSA-N 2 0 361.490 0.309 20 0 FCADRP C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CC[NH+](C)CC1 ZINC001520792731 1266002313 /nfs/dbraw/zinc/00/23/13/1266002313.db2.gz CHPWKXXUMSWEIU-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081115949 1256183663 /nfs/dbraw/zinc/18/36/63/1256183663.db2.gz WTFNBMOIICDOJN-RCCFBDPRSA-N 2 0 358.486 0.929 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699465 1256337902 /nfs/dbraw/zinc/33/79/02/1256337902.db2.gz XMCLXTMFBZPUGC-BSDSXHPESA-N 2 0 363.506 0.508 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200974 1256587659 /nfs/dbraw/zinc/58/76/59/1256587659.db2.gz CNAGDZDKTPDIFU-QZTJIDSGSA-N 2 0 363.506 0.510 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326469 1256665958 /nfs/dbraw/zinc/66/59/58/1256665958.db2.gz FDQDMPTWYFLMJG-KZNAEPCWSA-N 2 0 363.506 0.657 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082508082 1256793458 /nfs/dbraw/zinc/79/34/58/1256793458.db2.gz PGZWZYYPWALZIR-ZACQAIPSSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001082517889 1256801005 /nfs/dbraw/zinc/80/10/05/1256801005.db2.gz MSMBTRJVQOUTTE-JFIYKMOQSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082515417 1256801440 /nfs/dbraw/zinc/80/14/40/1256801440.db2.gz NGIBOYSEPIEQSB-ZTFGCOKTSA-N 2 0 358.486 0.664 20 0 FCADRP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001330593690 1266066680 /nfs/dbraw/zinc/06/66/80/1266066680.db2.gz ARGYBAGTJKUZCF-MRXNPFEDSA-N 2 0 363.510 0.258 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082558335 1256856607 /nfs/dbraw/zinc/85/66/07/1256856607.db2.gz KZRHEHHBNSLDDA-QLFBSQMISA-N 2 0 364.494 0.308 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082558294 1256858046 /nfs/dbraw/zinc/85/80/46/1256858046.db2.gz JOCRGBHIUVOHGF-IXDOHACOSA-N 2 0 365.522 0.711 20 0 FCADRP Cc1c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)nnn1C1CC[NH2+]CC1 ZINC001330618912 1266072200 /nfs/dbraw/zinc/07/22/00/1266072200.db2.gz KUUHEXZJRCHLFL-OAHLLOKOSA-N 2 0 362.478 0.400 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082585945 1256901102 /nfs/dbraw/zinc/90/11/02/1256901102.db2.gz RBUVDBUOAGSXTE-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082588916 1256902377 /nfs/dbraw/zinc/90/23/77/1256902377.db2.gz XJUBCQAMUSKILR-HZPDHXFCSA-N 2 0 363.506 0.324 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1)[NH+](C)C ZINC001082589196 1256902494 /nfs/dbraw/zinc/90/24/94/1256902494.db2.gz NVAICSMVNRXWAX-BPLDGKMQSA-N 2 0 360.462 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082637130 1256944221 /nfs/dbraw/zinc/94/42/21/1256944221.db2.gz NELXPCFFUCSBER-CXAGYDPISA-N 2 0 366.429 0.646 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082663434 1256966495 /nfs/dbraw/zinc/96/64/95/1256966495.db2.gz NZIFMKONHSVEPD-SZVBFZGTSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1)[NH+](C)C ZINC001082748672 1257029229 /nfs/dbraw/zinc/02/92/29/1257029229.db2.gz WNDRRKWOLUPXHZ-KFWWJZLASA-N 2 0 365.526 0.747 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+]1CCCCCC1 ZINC001082783060 1257047720 /nfs/dbraw/zinc/04/77/20/1257047720.db2.gz YEAAQLCFPQJZKU-RBSFLKMASA-N 2 0 364.494 0.309 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082828814 1257086256 /nfs/dbraw/zinc/08/62/56/1257086256.db2.gz KCGNOSKQUNLAKE-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082851917 1257104341 /nfs/dbraw/zinc/10/43/41/1257104341.db2.gz JGKOLAAUIYAPSR-RDTXWAMCSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082863148 1257113229 /nfs/dbraw/zinc/11/32/29/1257113229.db2.gz OGVSRUPFDSKTHM-RHSMWYFYSA-N 2 0 356.470 0.818 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082863455 1257113287 /nfs/dbraw/zinc/11/32/87/1257113287.db2.gz DEZCXMUBWFXNFI-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP COc1ncc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(C)n1 ZINC001082863205 1257113915 /nfs/dbraw/zinc/11/39/15/1257113915.db2.gz SJODMLKJVQEOQT-CZUORRHYSA-N 2 0 359.474 0.826 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)C1=O ZINC001082864784 1257114585 /nfs/dbraw/zinc/11/45/85/1257114585.db2.gz KCUSGKWSWRUGTF-VNQPRFMTSA-N 2 0 359.474 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082920986 1257145860 /nfs/dbraw/zinc/14/58/60/1257145860.db2.gz OOEPMBVJYMRAIL-RBSFLKMASA-N 2 0 363.510 0.359 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082923744 1257147675 /nfs/dbraw/zinc/14/76/75/1257147675.db2.gz ZRKMFWIVLRYJBD-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923443 1257148274 /nfs/dbraw/zinc/14/82/74/1257148274.db2.gz KGBZHDQISOBXEH-HLLBOEOZSA-N 2 0 364.494 0.203 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC001330929831 1266117478 /nfs/dbraw/zinc/11/74/78/1266117478.db2.gz BFEHQOSDEXAVHQ-IAGOWNOFSA-N 2 0 360.458 0.426 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777573 1257517014 /nfs/dbraw/zinc/51/70/14/1257517014.db2.gz CDHMFFLOEKLYGB-JTDSTZFVSA-N 2 0 371.497 0.787 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083779688 1257522157 /nfs/dbraw/zinc/52/21/57/1257522157.db2.gz OQUCYGOHDCXINW-IPELMVKDSA-N 2 0 361.486 0.883 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2O)cn1 ZINC001083851330 1257608234 /nfs/dbraw/zinc/60/82/34/1257608234.db2.gz ZVGBDCNBOJHVNO-MSOLQXFVSA-N 2 0 363.506 0.800 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056807 1257868177 /nfs/dbraw/zinc/86/81/77/1257868177.db2.gz OVMNTWAILYCWQK-UHOSZYNNSA-N 2 0 369.469 0.485 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084355223 1258046743 /nfs/dbraw/zinc/04/67/43/1258046743.db2.gz MKBSFVWCOANDDP-KLHDSHLOSA-N 2 0 362.474 0.008 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001331151172 1266158840 /nfs/dbraw/zinc/15/88/40/1266158840.db2.gz YUSKJWOEUBLHDF-IYBDPMFKSA-N 2 0 362.474 0.139 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)cc1=O ZINC001084406020 1258085074 /nfs/dbraw/zinc/08/50/74/1258085074.db2.gz CQTNTOYGFZTARH-ZHALLVOQSA-N 2 0 358.486 0.758 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001084407014 1258086534 /nfs/dbraw/zinc/08/65/34/1258086534.db2.gz DXCHZDKVEBNCRG-ZHALLVOQSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409719 1258088171 /nfs/dbraw/zinc/08/81/71/1258088171.db2.gz FOBUKQGBCBJCPA-KBAYOESNSA-N 2 0 361.490 0.261 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084850982 1258399380 /nfs/dbraw/zinc/39/93/80/1258399380.db2.gz HHUQANFHDLBSTG-IAGOWNOFSA-N 2 0 363.506 0.420 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085064439 1258559612 /nfs/dbraw/zinc/55/96/12/1258559612.db2.gz BYMKXKHNJKCNMK-WBVHZDCISA-N 2 0 366.506 0.108 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092989 1258587809 /nfs/dbraw/zinc/58/78/09/1258587809.db2.gz YXJNMCOKVGJVIV-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093355 1258588365 /nfs/dbraw/zinc/58/83/65/1258588365.db2.gz UPNPRRYGLFOUBJ-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085196721 1258627098 /nfs/dbraw/zinc/62/70/98/1258627098.db2.gz KZRLZXUNELRRAG-RBSFLKMASA-N 2 0 364.494 0.498 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cc1=O ZINC001088171816 1258691182 /nfs/dbraw/zinc/69/11/82/1258691182.db2.gz IHDJMMMXAKVYOL-MSOLQXFVSA-N 2 0 370.497 0.761 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088211564 1258734524 /nfs/dbraw/zinc/73/45/24/1258734524.db2.gz PWYZVLMFMYTHJQ-SQNIBIBYSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331453328 1266218525 /nfs/dbraw/zinc/21/85/25/1266218525.db2.gz IWYILMUOXBXLIV-KURKYZTESA-N 2 0 365.522 0.319 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105652363 1258921673 /nfs/dbraw/zinc/92/16/73/1258921673.db2.gz LJXDMPLJWIUKNI-OHDICMOHSA-N 2 0 368.522 0.040 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623154 1258929139 /nfs/dbraw/zinc/92/91/39/1258929139.db2.gz JTCFLDAYKAEDML-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001106666466 1258936685 /nfs/dbraw/zinc/93/66/85/1258936685.db2.gz LTAOKGQMFWNVQV-HDMKZQKVSA-N 2 0 362.522 0.921 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665453 1258936925 /nfs/dbraw/zinc/93/69/25/1258936925.db2.gz XAVPQECDAGFKMD-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106672548 1258938661 /nfs/dbraw/zinc/93/86/61/1258938661.db2.gz CKJBSQBIFAEFFS-HZPDHXFCSA-N 2 0 367.538 0.674 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001331477879 1266222544 /nfs/dbraw/zinc/22/25/44/1266222544.db2.gz JFKBJPJWBFPFLS-CQSZACIVSA-N 2 0 355.446 0.949 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106730740 1258948767 /nfs/dbraw/zinc/94/87/67/1258948767.db2.gz MXXWWTZYHFLSIY-NVXWUHKLSA-N 2 0 365.522 0.428 20 0 FCADRP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878092 1258985950 /nfs/dbraw/zinc/98/59/50/1258985950.db2.gz FLOWSUHYWBCLJW-HZPDHXFCSA-N 2 0 366.510 0.621 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001106878559 1258985986 /nfs/dbraw/zinc/98/59/86/1258985986.db2.gz RFJHRUWJTXCMQL-UKRRQHHQSA-N 2 0 365.478 0.709 20 0 FCADRP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106878412 1258986648 /nfs/dbraw/zinc/98/66/48/1258986648.db2.gz POZYCDHNTZHGKS-HUUCEWRRSA-N 2 0 367.494 0.784 20 0 FCADRP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001106882439 1258987072 /nfs/dbraw/zinc/98/70/72/1258987072.db2.gz VTOYIVGGXUNBRW-ZACQAIPSSA-N 2 0 368.522 0.258 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881776 1258987411 /nfs/dbraw/zinc/98/74/11/1258987411.db2.gz JQDGSNJFPANZRN-BRWVUGGUSA-N 2 0 370.538 0.506 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106882617 1258987861 /nfs/dbraw/zinc/98/78/61/1258987861.db2.gz YAFSNXRENVCNEG-NVXWUHKLSA-N 2 0 362.518 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106885204 1258988184 /nfs/dbraw/zinc/98/81/84/1258988184.db2.gz WZWIYBOSYMDZGN-BRWVUGGUSA-N 2 0 361.490 0.024 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106903970 1258992677 /nfs/dbraw/zinc/99/26/77/1258992677.db2.gz UAGPCBHRBFYUCU-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106910994 1258994441 /nfs/dbraw/zinc/99/44/41/1258994441.db2.gz ZNUVBIAOFVYFPS-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)no1 ZINC001106981309 1259010547 /nfs/dbraw/zinc/01/05/47/1259010547.db2.gz IQUHJGHCWAVABZ-BPLDGKMQSA-N 2 0 363.462 0.557 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001106986492 1259011322 /nfs/dbraw/zinc/01/13/22/1259011322.db2.gz RHNWCXUJJORQNU-KZNAEPCWSA-N 2 0 363.506 0.536 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001107042566 1259024213 /nfs/dbraw/zinc/02/42/13/1259024213.db2.gz SEAWZZZDQRTHPL-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001331522261 1266233240 /nfs/dbraw/zinc/23/32/40/1266233240.db2.gz DGXYSAZNHUMUEU-HNNXBMFYSA-N 2 0 372.473 0.566 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC001107534316 1259111164 /nfs/dbraw/zinc/11/11/64/1259111164.db2.gz RUODHHCWCVLLHY-ZHALLVOQSA-N 2 0 363.506 0.557 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(=O)NC)CC2 ZINC001107598838 1259129277 /nfs/dbraw/zinc/12/92/77/1259129277.db2.gz ZOKVTITXXOUMLH-RDTXWAMCSA-N 2 0 367.494 0.145 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107634098 1259140668 /nfs/dbraw/zinc/14/06/68/1259140668.db2.gz KKZPPUZYERWEMK-FRQCXROJSA-N 2 0 366.506 0.062 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2 ZINC001107633780 1259140686 /nfs/dbraw/zinc/14/06/86/1259140686.db2.gz CALBVALSMNSLQC-YLJYHZDGSA-N 2 0 362.518 0.969 20 0 FCADRP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cn1 ZINC001127571616 1259181779 /nfs/dbraw/zinc/18/17/79/1259181779.db2.gz UWGBHDRNONZGIT-MSOLQXFVSA-N 2 0 361.490 0.738 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1C ZINC001127643719 1259183137 /nfs/dbraw/zinc/18/31/37/1259183137.db2.gz IRAHSXRXSIEFLD-FMKPAKJESA-N 2 0 362.449 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCc2nnnn2-c2ccccc2)CC[N@@H+]1C ZINC001127659494 1259184857 /nfs/dbraw/zinc/18/48/57/1259184857.db2.gz DJUQLPSWCRFHNT-NVXWUHKLSA-N 2 0 371.489 0.641 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001331576418 1266240552 /nfs/dbraw/zinc/24/05/52/1266240552.db2.gz ZSGSKFMYLRVJEO-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)c1cc[nH+]cc1 ZINC001129081056 1259306412 /nfs/dbraw/zinc/30/64/12/1259306412.db2.gz UPWJSACQEFTQPG-MSOLQXFVSA-N 2 0 369.473 0.951 20 0 FCADRP CCOCCN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001129093471 1259310808 /nfs/dbraw/zinc/31/08/08/1259310808.db2.gz HNOGEVXEYKULRE-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129205500 1259344666 /nfs/dbraw/zinc/34/46/66/1259344666.db2.gz VXRJIRWACUHXDR-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129209495 1259345391 /nfs/dbraw/zinc/34/53/91/1259345391.db2.gz HAEMTHCQPPZKFU-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233241 1259350371 /nfs/dbraw/zinc/35/03/71/1259350371.db2.gz KATVBSHZKHWKMA-IXDOHACOSA-N 2 0 366.510 0.632 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276677 1259363981 /nfs/dbraw/zinc/36/39/81/1259363981.db2.gz RQEXYJWLHCYINQ-CVEARBPZSA-N 2 0 366.510 0.634 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130251153 1259375514 /nfs/dbraw/zinc/37/55/14/1259375514.db2.gz FBLLLUJZIFTFFJ-KBPBESRZSA-N 2 0 370.473 0.584 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199023332 1259413097 /nfs/dbraw/zinc/41/30/97/1259413097.db2.gz FPHGLUAQAUSMBA-QZTJIDSGSA-N 2 0 363.506 0.483 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001200651822 1259419295 /nfs/dbraw/zinc/41/92/95/1259419295.db2.gz NTEKJFGMLAHYCX-FGTMMUONSA-N 2 0 371.522 0.321 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635628 1259419477 /nfs/dbraw/zinc/41/94/77/1259419477.db2.gz BHAODSWQXPCXEU-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211669379 1259426434 /nfs/dbraw/zinc/42/64/34/1259426434.db2.gz XTVWUUVITPXBOI-ZWKOTPCHSA-N 2 0 358.486 0.801 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408097 1259493074 /nfs/dbraw/zinc/49/30/74/1259493074.db2.gz LZZJIUDIEDUFRB-GVDBMIGSSA-N 2 0 369.506 0.482 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212483545 1259519219 /nfs/dbraw/zinc/51/92/19/1259519219.db2.gz MDTAXPYQZBROIM-BRWVUGGUSA-N 2 0 371.522 0.728 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)on1 ZINC001215536026 1259534681 /nfs/dbraw/zinc/53/46/81/1259534681.db2.gz DUCYYOVCLXEEND-BPLDGKMQSA-N 2 0 363.462 0.842 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOCCNC(C)=O)CC[N@@H+]1C ZINC001234413161 1259559846 /nfs/dbraw/zinc/55/98/46/1259559846.db2.gz HDIYPVGLGZXUKT-FGTMMUONSA-N 2 0 368.522 0.402 20 0 FCADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235192665 1259569894 /nfs/dbraw/zinc/56/98/94/1259569894.db2.gz FTPASDBSPWMMJN-IBGZPJMESA-N 2 0 361.490 0.072 20 0 FCADRP COCCN1CCN(C)C2(CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC001235455566 1259572438 /nfs/dbraw/zinc/57/24/38/1259572438.db2.gz WVNFLXIWKFSJID-LJQANCHMSA-N 2 0 374.529 0.811 20 0 FCADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH2+]CCNCC[NH2+]CC3)C2)cc1 ZINC001235868341 1259581840 /nfs/dbraw/zinc/58/18/40/1259581840.db2.gz CPMHMIWQUJFFLU-NRFANRHFSA-N 3 0 359.562 0.983 20 0 FCADRP COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)n1 ZINC001236031324 1259587377 /nfs/dbraw/zinc/58/73/77/1259587377.db2.gz TXHAJFFPFOBTGX-JUIVLLAYSA-N 2 0 359.426 0.699 20 0 FCADRP CCOC(=O)c1[nH]c(C)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1C ZINC001236308026 1259588286 /nfs/dbraw/zinc/58/82/86/1259588286.db2.gz FKYUWZXFRQQZBL-UHFFFAOYSA-N 2 0 367.494 0.424 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001236305651 1259588551 /nfs/dbraw/zinc/58/85/51/1259588551.db2.gz KOPHWLDIBMNDDM-UHFFFAOYSA-N 2 0 374.489 0.910 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-c2ncccn2)c1 ZINC001236311526 1259588596 /nfs/dbraw/zinc/58/85/96/1259588596.db2.gz SPDUYDKWZVCGGQ-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP COC(=O)[C@H](N)[C@@H]1CCC[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236279512 1259588857 /nfs/dbraw/zinc/58/88/57/1259588857.db2.gz YOYYNRMKQVPBEA-RTBURBONSA-N 2 0 360.502 0.804 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccccc1Oc1cnccn1 ZINC001236311174 1259588903 /nfs/dbraw/zinc/58/89/03/1259588903.db2.gz GORJCDMUDMULJU-UHFFFAOYSA-N 2 0 372.473 0.885 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1-n1ccnc1 ZINC001236312332 1259589011 /nfs/dbraw/zinc/58/90/11/1259589011.db2.gz QHYXNXQTTJTMBP-UHFFFAOYSA-N 2 0 374.489 0.497 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001237066643 1259595859 /nfs/dbraw/zinc/59/58/59/1259595859.db2.gz YXJAHLQVBZPFGW-QUCCMNQESA-N 2 0 358.486 0.823 20 0 FCADRP O=C(c1ccc(-c2nccnc2N2CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC001240108020 1259626962 /nfs/dbraw/zinc/62/69/62/1259626962.db2.gz LRSJOAKTBHAXHB-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)nnc1OCC1CC[NH2+]CC1 ZINC001241897858 1259631962 /nfs/dbraw/zinc/63/19/62/1259631962.db2.gz ICTKTEJICSXVRS-UHFFFAOYSA-N 2 0 355.446 0.722 20 0 FCADRP O[C@H](C[NH2+]C1(Cc2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245996393 1259642963 /nfs/dbraw/zinc/64/29/63/1259642963.db2.gz AJTTZGRWAQYBMX-SFHVURJKSA-N 3 0 365.493 0.946 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246004280 1259643941 /nfs/dbraw/zinc/64/39/41/1259643941.db2.gz KMLAXOUMDFDLOS-YTQUADARSA-N 3 0 368.472 0.611 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]C2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245988192 1259644576 /nfs/dbraw/zinc/64/45/76/1259644576.db2.gz GKGPWAQTIZVJBF-LJQANCHMSA-N 2 0 363.502 0.641 20 0 FCADRP COC(=O)[C@H](N)C1CC[NH+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246049976 1259645597 /nfs/dbraw/zinc/64/55/97/1259645597.db2.gz UJADGHZKKKVLMR-GVDBMIGSSA-N 2 0 371.428 0.408 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@H]1C(=O)OC ZINC001246140244 1259648864 /nfs/dbraw/zinc/64/88/64/1259648864.db2.gz GJVKDSGVCMGRHY-KLHDSHLOSA-N 3 0 367.490 0.581 20 0 FCADRP CCC(CC)[C@@H]([NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246415881 1259652562 /nfs/dbraw/zinc/65/25/62/1259652562.db2.gz PGQKIQJBSLPNBD-KWKPBRMBSA-N 3 0 367.534 0.876 20 0 FCADRP COc1ccc(CN2CC[C@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641958 1259657211 /nfs/dbraw/zinc/65/72/11/1259657211.db2.gz KHYAIRSWNSINAK-FXAWDEMLSA-N 2 0 358.486 0.824 20 0 FCADRP CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690754 1259659972 /nfs/dbraw/zinc/65/99/72/1259659972.db2.gz WULBKDFDRFATRZ-WIYYLYMNSA-N 2 0 369.513 0.504 20 0 FCADRP O=C(c1cnccn1)N1CCC2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246696368 1259661750 /nfs/dbraw/zinc/66/17/50/1259661750.db2.gz RKNXZIUHGTYMJQ-MRXNPFEDSA-N 2 0 370.501 0.499 20 0 FCADRP O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246700170 1259661896 /nfs/dbraw/zinc/66/18/96/1259661896.db2.gz BVSZPLLYMHAJKL-VDHUWJSZSA-N 2 0 371.485 0.594 20 0 FCADRP Cn1nc(C(=O)N2CCCC2)c2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246701121 1259663604 /nfs/dbraw/zinc/66/36/04/1259663604.db2.gz NEJQLODICDXEBW-CQSZACIVSA-N 2 0 358.490 0.108 20 0 FCADRP c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246710729 1259665480 /nfs/dbraw/zinc/66/54/80/1259665480.db2.gz PYAANVAMQVMTNP-CADBVGFASA-N 2 0 358.486 0.924 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CN1 ZINC001246706916 1259666850 /nfs/dbraw/zinc/66/68/50/1259666850.db2.gz DEHMPJUQLXQETM-WBVHZDCISA-N 2 0 361.490 0.631 20 0 FCADRP CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246716570 1259667444 /nfs/dbraw/zinc/66/74/44/1259667444.db2.gz BOCCRSAJEQDMQL-SQGPQFPESA-N 2 0 364.534 0.866 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461517 1259671952 /nfs/dbraw/zinc/67/19/52/1259671952.db2.gz WKKCPGDGFOOKFI-HRCADAONSA-N 2 0 352.479 0.308 20 0 FCADRP CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751779 1259678759 /nfs/dbraw/zinc/67/87/59/1259678759.db2.gz CQTICTBFHIEICS-ABSDTBQOSA-N 2 0 372.517 0.630 20 0 FCADRP Cn1ccc(CN2CCOCC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246751236 1259680418 /nfs/dbraw/zinc/68/04/18/1259680418.db2.gz YBHISXRHNICPGU-GOSISDBHSA-N 2 0 374.533 0.181 20 0 FCADRP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755803 1259682191 /nfs/dbraw/zinc/68/21/91/1259682191.db2.gz UIGFOLKGZBFQCC-VAMGGRTRSA-N 3 0 371.529 0.698 20 0 FCADRP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754811 1259682276 /nfs/dbraw/zinc/68/22/76/1259682276.db2.gz OKVQDOVDGXEXLY-IAGOWNOFSA-N 2 0 373.549 0.101 20 0 FCADRP O=C(C1CC[NH+](C2CCN(C3CC[NH2+]CC3)CC2)CC1)N1CCOCC1 ZINC001246756405 1259682652 /nfs/dbraw/zinc/68/26/52/1259682652.db2.gz RHHTXZBGVUIPIP-UHFFFAOYSA-N 2 0 364.534 0.774 20 0 FCADRP O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766038 1259683664 /nfs/dbraw/zinc/68/36/64/1259683664.db2.gz OKCVTUGVPPAAOI-UZLBHIALSA-N 2 0 374.485 0.681 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246769240 1259685576 /nfs/dbraw/zinc/68/55/76/1259685576.db2.gz QZGLONYRUBHPLH-SJPCQFCGSA-N 2 0 358.486 0.620 20 0 FCADRP c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766306 1259685792 /nfs/dbraw/zinc/68/57/92/1259685792.db2.gz MONOWEGBNPQOPS-YLFCFFPRSA-N 2 0 359.474 0.429 20 0 FCADRP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCO[C@H]12 ZINC001246768199 1259686223 /nfs/dbraw/zinc/68/62/23/1259686223.db2.gz RRXWMPCYTBKBFD-CBZGLNDISA-N 2 0 359.474 0.665 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246773892 1259689554 /nfs/dbraw/zinc/68/95/54/1259689554.db2.gz WGHZUPUJAJCDBK-CVEARBPZSA-N 2 0 359.474 0.924 20 0 FCADRP O=c1c2ccccc2nnn1C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246885720 1259692686 /nfs/dbraw/zinc/69/26/86/1259692686.db2.gz XEVISFHTXHVDTI-HNNXBMFYSA-N 2 0 354.458 0.522 20 0 FCADRP O=C(CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1)NCCc1ccccc1 ZINC001246874625 1259693936 /nfs/dbraw/zinc/69/39/36/1259693936.db2.gz KHDKGKPKFDLIGJ-LJQANCHMSA-N 2 0 371.529 0.057 20 0 FCADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005755 1259697924 /nfs/dbraw/zinc/69/79/24/1259697924.db2.gz GGNSKEABLURJGA-KFWWJZLASA-N 2 0 367.490 0.533 20 0 FCADRP Fc1cc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)cc(F)c1OC1COC1 ZINC001247852427 1259707312 /nfs/dbraw/zinc/70/73/12/1259707312.db2.gz SQWYOMADBSPNEX-UHFFFAOYSA-N 2 0 364.352 0.853 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001335554948 1259713929 /nfs/dbraw/zinc/71/39/29/1259713929.db2.gz PRYTXOBGCMMAPM-RBSFLKMASA-N 2 0 371.407 0.746 20 0 FCADRP CCOC[C@@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001252041932 1259776284 /nfs/dbraw/zinc/77/62/84/1259776284.db2.gz WINPGVJODJFAJD-ROUUACIJSA-N 2 0 363.502 0.788 20 0 FCADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252933595 1259812256 /nfs/dbraw/zinc/81/22/56/1259812256.db2.gz LMPQNEWAWLARMY-CTNGQTDRSA-N 2 0 374.529 0.766 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CC1(O)CCOCC1)CCC2 ZINC001252961642 1259816986 /nfs/dbraw/zinc/81/69/86/1259816986.db2.gz WDZMFKNNUBGARL-UHFFFAOYSA-N 2 0 364.490 0.831 20 0 FCADRP Cc1nc(N2CCN(CCO)CC2)cc(NC[C@H](O)C[NH2+]C(C)(C)C)[nH+]1 ZINC001253385255 1259837316 /nfs/dbraw/zinc/83/73/16/1259837316.db2.gz OLLVCHJLUIOLJH-HNNXBMFYSA-N 2 0 366.510 0.060 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)[C@@H]2CCCOC2)C1 ZINC001254368286 1259879722 /nfs/dbraw/zinc/87/97/22/1259879722.db2.gz OIRJGHDRKSVYTN-YPLQCARHSA-N 2 0 373.538 0.934 20 0 FCADRP CCOC(=O)CN1CCC([NH+]2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001254412853 1259882786 /nfs/dbraw/zinc/88/27/86/1259882786.db2.gz VZQVLDWRYOPSIZ-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)ccn2)CC1 ZINC001331848350 1266294816 /nfs/dbraw/zinc/29/48/16/1266294816.db2.gz BGUAENFWCOZARV-APWZRJJASA-N 2 0 358.490 0.917 20 0 FCADRP Cn1nnc2c1CCN([C@H]1CCC[N@H+](C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001255490558 1259916087 /nfs/dbraw/zinc/91/60/87/1259916087.db2.gz UGXIINJBSLQNOC-FUHWJXTLSA-N 2 0 362.522 0.921 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001256767126 1259959580 /nfs/dbraw/zinc/95/95/80/1259959580.db2.gz ANNYMOOWUCEZSD-RHSMWYFYSA-N 2 0 364.465 0.955 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001522012408 1266298779 /nfs/dbraw/zinc/29/87/79/1266298779.db2.gz ZBIBTZUFLMMHCR-SJLPKXTDSA-N 2 0 367.538 0.103 20 0 FCADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001331887382 1266300577 /nfs/dbraw/zinc/30/05/77/1266300577.db2.gz AFJKKXQEWWWEGE-UHFFFAOYSA-N 2 0 369.469 0.775 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C ZINC001261134352 1260081849 /nfs/dbraw/zinc/08/18/49/1260081849.db2.gz TUDKCMYJZCYHNL-MWQQHZPXSA-N 2 0 366.506 0.079 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001261874698 1260205449 /nfs/dbraw/zinc/20/54/49/1260205449.db2.gz HOOFLDQKWXHGGA-GJZGRUSLSA-N 2 0 359.474 0.633 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@]34CCC[C@H]3C[NH2+]C4)cn2)CC1 ZINC001336724161 1260208622 /nfs/dbraw/zinc/20/86/22/1260208622.db2.gz YVWQBDBSDHIBHJ-LPHOPBHVSA-N 2 0 358.490 0.775 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001336733955 1260211524 /nfs/dbraw/zinc/21/15/24/1260211524.db2.gz DBFZCAXZPSPPCB-IRXDYDNUSA-N 2 0 367.538 0.947 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1CC[NH3+] ZINC001336820901 1260230411 /nfs/dbraw/zinc/23/04/11/1260230411.db2.gz WRVAOIXKBXRYAB-KURKYZTESA-N 2 0 367.538 0.552 20 0 FCADRP COC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC001336869137 1260242249 /nfs/dbraw/zinc/24/22/49/1260242249.db2.gz XRLDQJXRVNVRSB-XWTMOSNGSA-N 2 0 366.506 0.791 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC001262007167 1260244777 /nfs/dbraw/zinc/24/47/77/1260244777.db2.gz WHWMWOMRHKBMDH-SFHVURJKSA-N 2 0 360.506 0.660 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001262065164 1260255124 /nfs/dbraw/zinc/25/51/24/1260255124.db2.gz SNEIUUGYNHGVHQ-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC001262067618 1260255203 /nfs/dbraw/zinc/25/52/03/1260255203.db2.gz GWOQCGHHASGSEY-UHFFFAOYSA-N 2 0 361.490 0.298 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001262065165 1260255234 /nfs/dbraw/zinc/25/52/34/1260255234.db2.gz SNEIUUGYNHGVHQ-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071241 1260256078 /nfs/dbraw/zinc/25/60/78/1260256078.db2.gz UTVUDXOFAQTPLU-DZJNRPSUSA-N 2 0 358.486 0.724 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC001262117113 1260261985 /nfs/dbraw/zinc/26/19/85/1260261985.db2.gz DLMPIGONAFASFM-HNNXBMFYSA-N 2 0 359.474 0.719 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001336975330 1260273350 /nfs/dbraw/zinc/27/33/50/1260273350.db2.gz NBLXDVDTSIJFFF-QXAKKESOSA-N 2 0 373.501 0.317 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001336988667 1260277130 /nfs/dbraw/zinc/27/71/30/1260277130.db2.gz DRNISJLLLKQYQZ-IEBWSBKVSA-N 2 0 373.501 0.903 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337016928 1260286393 /nfs/dbraw/zinc/28/63/93/1260286393.db2.gz YPWFVLBXYIBKEQ-IAGOWNOFSA-N 2 0 353.511 0.224 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCN1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001263103596 1260341942 /nfs/dbraw/zinc/34/19/42/1260341942.db2.gz FGZKPOSQVXGFNZ-KDOFPFPSSA-N 2 0 363.481 0.658 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650332 1260443848 /nfs/dbraw/zinc/44/38/48/1260443848.db2.gz FEJNYIVBPVOIRI-VQIMIIECSA-N 2 0 366.506 0.110 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@H+](C[C@H]1CCC(=O)N1)C2 ZINC001278472012 1260696355 /nfs/dbraw/zinc/69/63/55/1260696355.db2.gz ZGEKWHWBOOZBMR-IAGOWNOFSA-N 2 0 360.502 0.674 20 0 FCADRP COCCn1cc(C[N@@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)cn1 ZINC001278712854 1260720029 /nfs/dbraw/zinc/72/00/29/1260720029.db2.gz OJCQXGJDQRBGNH-LJQANCHMSA-N 2 0 365.522 0.758 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc5c(n4)OCCO5)CC3)[C@H]2C1 ZINC001279527309 1260884490 /nfs/dbraw/zinc/88/44/90/1260884490.db2.gz WRBCGPMWCSXTIJ-GJZGRUSLSA-N 2 0 358.442 0.495 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001279571891 1260895139 /nfs/dbraw/zinc/89/51/39/1260895139.db2.gz CFMDHBZHRPEOQF-ZWKOTPCHSA-N 2 0 363.462 0.809 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2c[nH+]ccc2N)C[C@]2(CCCC(=O)N2)C1 ZINC001279617153 1260899849 /nfs/dbraw/zinc/89/98/49/1260899849.db2.gz RFIVAMNBODGPNR-IBGZPJMESA-N 2 0 360.506 0.212 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332312994 1266375689 /nfs/dbraw/zinc/37/56/89/1266375689.db2.gz KOXQNRAMOGYQPQ-OAHLLOKOSA-N 2 0 372.469 0.622 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C[C@@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892311 1260953190 /nfs/dbraw/zinc/95/31/90/1260953190.db2.gz FUDUBUKMJDIFPR-YJBOKZPZSA-N 2 0 361.490 0.877 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](CC2CCOCC2)C3)CC1 ZINC001279892749 1260953434 /nfs/dbraw/zinc/95/34/34/1260953434.db2.gz ULXOPJAEKKYTJK-SFHVURJKSA-N 2 0 365.518 0.962 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C4CCN(C)CC4)CC3)[C@H]2C1 ZINC001280070923 1260989473 /nfs/dbraw/zinc/98/94/73/1260989473.db2.gz FVFOHVOOFVWFBT-ROUUACIJSA-N 2 0 363.550 0.155 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280073199 1260991045 /nfs/dbraw/zinc/99/10/45/1260991045.db2.gz ZNLCAXFDOXAYDA-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP CCOC(=O)CC[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001280091682 1260998815 /nfs/dbraw/zinc/99/88/15/1260998815.db2.gz YIJYDGORDAVJDI-UHFFFAOYSA-N 2 0 363.462 0.849 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)CC1 ZINC001280125497 1261011297 /nfs/dbraw/zinc/01/12/97/1261011297.db2.gz KNVAOMLYMQMGIO-QGZVFWFLSA-N 2 0 361.490 0.706 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001280139940 1261014331 /nfs/dbraw/zinc/01/43/31/1261014331.db2.gz FRUZHZNQOGNDEE-MUJYYYPQSA-N 2 0 361.494 0.839 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2COCCC23C[NH+](CC2(C)COC2)C3)CC1 ZINC001280180377 1261022229 /nfs/dbraw/zinc/02/22/29/1261022229.db2.gz HOYNXVJTIFYROD-QGZVFWFLSA-N 2 0 365.518 0.914 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@H]2C1 ZINC001280187007 1261024312 /nfs/dbraw/zinc/02/43/12/1261024312.db2.gz BDGNHZDHFYHPIY-HOTGVXAUSA-N 2 0 369.506 0.138 20 0 FCADRP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332417 1266379182 /nfs/dbraw/zinc/37/91/82/1266379182.db2.gz PLRQVAVGFJXYJO-CIRFHOKZSA-N 2 0 358.486 0.961 20 0 FCADRP C[NH+]1CCC(C)(C[NH+]2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280214175 1261035409 /nfs/dbraw/zinc/03/54/09/1261035409.db2.gz AUIUALOTAXZXLU-KRWDZBQOSA-N 2 0 364.509 0.905 20 0 FCADRP CCNC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215140 1261036567 /nfs/dbraw/zinc/03/65/67/1261036567.db2.gz KWGSYAIFJJETJD-FXAWDEMLSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4COc5ccccc5O4)CC3)[C@H]2C1 ZINC001280227942 1261040494 /nfs/dbraw/zinc/04/04/94/1261040494.db2.gz MDKYPMCXYZELAT-JYJNAYRXSA-N 2 0 357.454 0.969 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280272423 1261045566 /nfs/dbraw/zinc/04/55/66/1261045566.db2.gz LLGTUWPAWFPVRY-YLJYHZDGSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1O ZINC001281916664 1261284301 /nfs/dbraw/zinc/28/43/01/1261284301.db2.gz ZCELBRIAPXUUED-CVEARBPZSA-N 2 0 370.538 0.384 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001332519676 1266422266 /nfs/dbraw/zinc/42/22/66/1266422266.db2.gz HRNPWUFUFTZBQQ-SJORKVTESA-N 2 0 362.526 0.374 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC1CC[NH+](C)CC1 ZINC001580291249 1278098226 /nfs/dbraw/zinc/09/82/26/1278098226.db2.gz XVEAFOHFILPQDN-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001580307128 1278112980 /nfs/dbraw/zinc/11/29/80/1278112980.db2.gz JQRKKFAHZNCPRI-CYBMUJFWSA-N 2 0 372.477 0.935 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001290527894 1262464033 /nfs/dbraw/zinc/46/40/33/1262464033.db2.gz LZVQSRJEYKFQNE-IKGGRYGDSA-N 2 0 350.507 0.587 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC001293284522 1262714886 /nfs/dbraw/zinc/71/48/86/1262714886.db2.gz WQQVQFQCVTVXNE-GOSISDBHSA-N 2 0 361.490 0.280 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001479669318 1263327399 /nfs/dbraw/zinc/32/73/99/1263327399.db2.gz GWTZHTRJCZUKJJ-RYRKJORJSA-N 2 0 352.523 0.878 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1c1ccccc1)[NH+](C)C ZINC001316644592 1263394923 /nfs/dbraw/zinc/39/49/23/1263394923.db2.gz SHACNWKJXAWGTA-OKYOBFRVSA-N 2 0 363.502 0.918 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001316704282 1263429800 /nfs/dbraw/zinc/42/98/00/1263429800.db2.gz OWNXLDBPZLOIGU-ILXRZTDVSA-N 2 0 369.510 0.389 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318263662 1263557202 /nfs/dbraw/zinc/55/72/02/1263557202.db2.gz ZLHGOULSLCZKFQ-UHFFFAOYSA-N 2 0 363.506 0.816 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580387664 1278208999 /nfs/dbraw/zinc/20/89/99/1278208999.db2.gz ASXCUEWSYHKDQT-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP O=C(Cn1cc(C2CC2)nn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001319212719 1263666003 /nfs/dbraw/zinc/66/60/03/1263666003.db2.gz OPFQCFGZIBPXIR-UHFFFAOYSA-N 2 0 369.473 0.879 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494058032 1263751238 /nfs/dbraw/zinc/75/12/38/1263751238.db2.gz MXFYGZAUQAUCFD-QCODTGAPSA-N 2 0 356.486 0.770 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc2c[nH+]cn21 ZINC001319989436 1263751683 /nfs/dbraw/zinc/75/16/83/1263751683.db2.gz FCRTUTZWTFCBEK-MRXNPFEDSA-N 2 0 357.458 0.779 20 0 FCADRP CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCC2)C1=O ZINC001495915538 1263843307 /nfs/dbraw/zinc/84/33/07/1263843307.db2.gz UZAPOCKOYZZNOT-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP COC[C@H](O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001496501608 1263880262 /nfs/dbraw/zinc/88/02/62/1263880262.db2.gz MBZHREMVYJRHNS-KBAYOESNSA-N 2 0 355.523 0.894 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001321316381 1263935072 /nfs/dbraw/zinc/93/50/72/1263935072.db2.gz FURNWSYVENRSHJ-INIZCTEOSA-N 2 0 364.465 0.784 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC001321410972 1263955046 /nfs/dbraw/zinc/95/50/46/1263955046.db2.gz WKVMKNYOODSPLE-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)COC2 ZINC001322007022 1264129811 /nfs/dbraw/zinc/12/98/11/1264129811.db2.gz LPIQNYLKVDPUPD-UHFFFAOYSA-N 2 0 362.474 0.285 20 0 FCADRP C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001322241745 1264172448 /nfs/dbraw/zinc/17/24/48/1264172448.db2.gz RCOCKACJVCNEKM-INIZCTEOSA-N 2 0 359.474 0.721 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580400559 1278225305 /nfs/dbraw/zinc/22/53/05/1278225305.db2.gz FBQCUAMMPFREHD-YPMHNXCESA-N 2 0 361.425 0.552 20 0 FCADRP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001505835280 1264281884 /nfs/dbraw/zinc/28/18/84/1264281884.db2.gz HAWWLCUVDFLYDJ-SJORKVTESA-N 2 0 360.502 0.891 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580402114 1278231106 /nfs/dbraw/zinc/23/11/06/1278231106.db2.gz GBSAOWDAZFYUJI-HIFRSBDPSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580406168 1278242459 /nfs/dbraw/zinc/24/24/59/1278242459.db2.gz YYEVSQAAGQWQBO-NQBHXWOUSA-N 2 0 363.491 0.863 20 0 FCADRP C[C@H]1CC(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC001326185231 1265075308 /nfs/dbraw/zinc/07/53/08/1265075308.db2.gz AWKYQYIUBXZVDP-HOTGVXAUSA-N 2 0 370.538 0.648 20 0 FCADRP COC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC001326278060 1265091139 /nfs/dbraw/zinc/09/11/39/1265091139.db2.gz RCZVZYPOCUNKPH-OAHLLOKOSA-N 2 0 360.458 0.416 20 0 FCADRP [NH3+]CCN(CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)Cc1ccccc1 ZINC001326556286 1265133488 /nfs/dbraw/zinc/13/34/88/1265133488.db2.gz IBMCKBDXLLIERF-UHFFFAOYSA-N 2 0 368.485 0.891 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC001326968117 1265209402 /nfs/dbraw/zinc/20/94/02/1265209402.db2.gz JUFBPFMVJSCKEJ-ROUUACIJSA-N 2 0 362.518 0.873 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001514149365 1265327096 /nfs/dbraw/zinc/32/70/96/1265327096.db2.gz DLBIYHAPYDMITQ-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC001327499269 1265341795 /nfs/dbraw/zinc/34/17/95/1265341795.db2.gz GBWCBYVRCFRDDF-CZUORRHYSA-N 2 0 364.450 0.069 20 0 FCADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001327598213 1265370507 /nfs/dbraw/zinc/37/05/07/1265370507.db2.gz ZQBJCKPXRMGLJL-UHFFFAOYSA-N 2 0 362.478 0.387 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001332975518 1266514631 /nfs/dbraw/zinc/51/46/31/1266514631.db2.gz JDKWMKUYTMCWEQ-OWCLPIDISA-N 2 0 357.462 0.416 20 0 FCADRP [NH3+][C@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001580415625 1278264136 /nfs/dbraw/zinc/26/41/36/1278264136.db2.gz YEWXBQRDDQXTFW-PMPSAXMXSA-N 2 0 364.494 0.166 20 0 FCADRP C[C@@H](CC[NH+]1CCC2(CNC(=O)O2)CC1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001333207476 1266555315 /nfs/dbraw/zinc/55/53/15/1266555315.db2.gz HYNKKYBCLIYDJM-AWEZNQCLSA-N 2 0 366.462 0.914 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001523322822 1266622003 /nfs/dbraw/zinc/62/20/03/1266622003.db2.gz JCGLPJBDBOLFNA-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001333883451 1266739119 /nfs/dbraw/zinc/73/91/19/1266739119.db2.gz JEBUUARAZNQKGU-SFHVURJKSA-N 2 0 358.486 0.806 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001526631196 1266823538 /nfs/dbraw/zinc/82/35/38/1266823538.db2.gz IGSAKFHELHOROZ-IIAWOOMASA-N 2 0 364.494 0.019 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001528130951 1266946893 /nfs/dbraw/zinc/94/68/93/1266946893.db2.gz PHDGOXHGCCWQOU-CVEARBPZSA-N 2 0 355.527 0.155 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001528433177 1266970363 /nfs/dbraw/zinc/97/03/63/1266970363.db2.gz DSGUPPANVKPFMZ-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001528444004 1266971885 /nfs/dbraw/zinc/97/18/85/1266971885.db2.gz QZCRPONSVWJUIL-INIZCTEOSA-N 2 0 355.527 0.375 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001334829507 1267192744 /nfs/dbraw/zinc/19/27/44/1267192744.db2.gz WHDZTASDRAQUQF-OAHLLOKOSA-N 2 0 359.474 0.754 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001335138258 1267357514 /nfs/dbraw/zinc/35/75/14/1267357514.db2.gz SIZMPLJVJJEWDD-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP Cn1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001548938257 1267774039 /nfs/dbraw/zinc/77/40/39/1267774039.db2.gz KUXMYSMAUGWSEV-DZGCQCFKSA-N 2 0 372.477 0.415 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001549042902 1267794073 /nfs/dbraw/zinc/79/40/73/1267794073.db2.gz FEWMTZJGDPAUOH-LSDHHAIUSA-N 2 0 369.462 0.246 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccc(F)cc1 ZINC001549044388 1267795110 /nfs/dbraw/zinc/79/51/10/1267795110.db2.gz XXCHJJOELQETIP-OWCLPIDISA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC001549132761 1267817638 /nfs/dbraw/zinc/81/76/38/1267817638.db2.gz RXWPJZQQUYSXGE-QXSJWSMHSA-N 2 0 362.478 0.704 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC001549132763 1267817810 /nfs/dbraw/zinc/81/78/10/1267817810.db2.gz RXWPJZQQUYSXGE-UGUYLWEFSA-N 2 0 362.478 0.704 20 0 FCADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nnn1[C@H]1CC[NH2+]C1 ZINC001549293017 1267891317 /nfs/dbraw/zinc/89/13/17/1267891317.db2.gz QWPKMWMZBBRVLE-JONQDZQNSA-N 2 0 362.478 0.622 20 0 FCADRP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580476720 1278367159 /nfs/dbraw/zinc/36/71/59/1278367159.db2.gz WOVXJYZSHPCPKT-IBGZPJMESA-N 2 0 358.486 0.300 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001338517875 1267968793 /nfs/dbraw/zinc/96/87/93/1267968793.db2.gz GUIIIOHYYRLHBA-LJQANCHMSA-N 2 0 365.522 0.857 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)CC1 ZINC001549604778 1267970011 /nfs/dbraw/zinc/97/00/11/1267970011.db2.gz DPPNXSIPZGRMLJ-IRXDYDNUSA-N 2 0 363.510 0.054 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549733013 1267981715 /nfs/dbraw/zinc/98/17/15/1267981715.db2.gz FTXDIODSCCAWTQ-QLFBSQMISA-N 2 0 357.462 0.416 20 0 FCADRP COc1ccc(OC)c([C@@H](O)C[NH2+]CC(=O)NCC[NH+]2CCCCC2)c1 ZINC001338553293 1267982803 /nfs/dbraw/zinc/98/28/03/1267982803.db2.gz ZUFHZCNNEPOVQH-KRWDZBQOSA-N 2 0 365.474 0.929 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998540 1268038568 /nfs/dbraw/zinc/03/85/68/1268038568.db2.gz AASJISQJNHIOHJ-TZIWHRDSSA-N 2 0 372.513 0.472 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001338686905 1268041916 /nfs/dbraw/zinc/04/19/16/1268041916.db2.gz KHVAFEAQWNBGPP-MOPGFXCFSA-N 2 0 357.502 0.985 20 0 FCADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)[C@@H]2C1 ZINC001550062886 1268065902 /nfs/dbraw/zinc/06/59/02/1268065902.db2.gz IKDPHXABFYCMJX-UTUOFQBUSA-N 2 0 370.404 0.295 20 0 FCADRP CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001550064373 1268068330 /nfs/dbraw/zinc/06/83/30/1268068330.db2.gz FGFNUDDPOAPOSR-TWMKSMIVSA-N 2 0 363.506 0.463 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC001550073988 1268069079 /nfs/dbraw/zinc/06/90/79/1268069079.db2.gz YQYQFZZESQNOOE-IAGOWNOFSA-N 2 0 354.458 0.996 20 0 FCADRP Cn1cc(C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001550117313 1268078158 /nfs/dbraw/zinc/07/81/58/1268078158.db2.gz YFOJTCBUIMHJLE-HOTGVXAUSA-N 2 0 360.506 0.349 20 0 FCADRP COC[C@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC001550202445 1268090722 /nfs/dbraw/zinc/09/07/22/1268090722.db2.gz MKHHQBJSMGNCHX-KRWDZBQOSA-N 2 0 352.479 0.087 20 0 FCADRP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001550288929 1268104245 /nfs/dbraw/zinc/10/42/45/1268104245.db2.gz PASNAJSVNWCQJH-YNBOMUFVSA-N 2 0 363.506 0.370 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)n1 ZINC001550366201 1268107902 /nfs/dbraw/zinc/10/79/02/1268107902.db2.gz CDWBEPGJYCOQEB-JFIYKMOQSA-N 2 0 374.533 0.580 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)C1C[NH+](C3CCOCC3)C1)[C@@H](O)C2 ZINC001550477142 1268125031 /nfs/dbraw/zinc/12/50/31/1268125031.db2.gz NRQKRFHTQYJWIL-LXZJYRNTSA-N 2 0 365.518 0.693 20 0 FCADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001550719443 1268154484 /nfs/dbraw/zinc/15/44/84/1268154484.db2.gz GSSJYUMZSOLNPW-OTRWWLKZSA-N 2 0 374.489 0.045 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NCc2ccncc2O[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC001550759710 1268163999 /nfs/dbraw/zinc/16/39/99/1268163999.db2.gz YZFCHRFTVQUFJL-JHJVBQTASA-N 2 0 373.379 0.853 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001550980242 1268188711 /nfs/dbraw/zinc/18/87/11/1268188711.db2.gz RRMWANHGZZFFHJ-WNRNVDISSA-N 2 0 366.506 0.527 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156009 1268209384 /nfs/dbraw/zinc/20/93/84/1268209384.db2.gz ACOIKYDZHSZPND-ISXWCOSWSA-N 2 0 351.491 0.999 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001551404224 1268231452 /nfs/dbraw/zinc/23/14/52/1268231452.db2.gz XTORONSWLZZBEX-MUYFXNHWSA-N 3 0 352.523 0.807 20 0 FCADRP C[C@@]12C[NH2+]C[C@H]1CN(C(=O)NCc1ccc(CN3CC[NH2+]CC3)cc1)C2 ZINC001551468341 1268257490 /nfs/dbraw/zinc/25/74/90/1268257490.db2.gz NSJZYLIZUBYNCJ-ICSRJNTNSA-N 2 0 357.502 0.843 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@@H+]2C[C@@H](O)C[C@H]2C1 ZINC001551468857 1268257809 /nfs/dbraw/zinc/25/78/09/1268257809.db2.gz UUBGDTZCKJHCTF-OALUTQOASA-N 2 0 373.501 0.052 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC001551471832 1268258177 /nfs/dbraw/zinc/25/81/77/1268258177.db2.gz ZMPSHNSCVGNEDN-BRWVUGGUSA-N 2 0 368.522 0.632 20 0 FCADRP [NH3+]CC1(c2ccccc2)CC(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001551487254 1268260711 /nfs/dbraw/zinc/26/07/11/1268260711.db2.gz PTSSDVXPYJAJQY-FDYSRKEFSA-N 2 0 357.502 0.735 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001551552503 1268265410 /nfs/dbraw/zinc/26/54/10/1268265410.db2.gz FBCNXDYQJCZJMQ-NVXWUHKLSA-N 2 0 363.506 0.465 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551555219 1268267448 /nfs/dbraw/zinc/26/74/48/1268267448.db2.gz MYSBDRDIZDQKEN-VWNJHIHFSA-N 2 0 351.495 0.178 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551555291 1268267892 /nfs/dbraw/zinc/26/78/92/1268267892.db2.gz NMMASLPTYRAJDH-DOTOQJQBSA-N 2 0 365.522 0.664 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556249 1268268983 /nfs/dbraw/zinc/26/89/83/1268268983.db2.gz SCENOBRYIDRUGF-ZBFHGGJFSA-N 2 0 351.495 0.369 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551559007 1268269589 /nfs/dbraw/zinc/26/95/89/1268269589.db2.gz FPRVJWBGUXTAHV-MUQADHOPSA-N 2 0 363.506 0.559 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551558752 1268269958 /nfs/dbraw/zinc/26/99/58/1268269958.db2.gz ZRHPCLRRSNBUBE-ZBFHGGJFSA-N 2 0 351.495 0.546 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551561750 1268271911 /nfs/dbraw/zinc/27/19/11/1268271911.db2.gz KKDOPFIQFZYZKG-RYRKJORJSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551567659 1268273596 /nfs/dbraw/zinc/27/35/96/1268273596.db2.gz HJRFPDMVJPCKKJ-FUHWJXTLSA-N 2 0 365.522 0.805 20 0 FCADRP CCCN(C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001551574842 1268274898 /nfs/dbraw/zinc/27/48/98/1268274898.db2.gz DJQNYXKQRNUELX-WMZOPIPTSA-N 2 0 365.522 0.807 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576889 1268275309 /nfs/dbraw/zinc/27/53/09/1268275309.db2.gz KQSBBJTZUJYKNB-FUHWJXTLSA-N 2 0 365.522 0.761 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576854 1268275905 /nfs/dbraw/zinc/27/59/05/1268275905.db2.gz KCWDHMUHJBPMFR-SOLBZPMBSA-N 2 0 365.522 0.759 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551593807 1268280561 /nfs/dbraw/zinc/28/05/61/1268280561.db2.gz OKACHIJZOJZAQV-RDJZCZTQSA-N 2 0 351.495 0.370 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCCc3cc(C[NH3+])ccc32)nn1 ZINC001552163072 1268396290 /nfs/dbraw/zinc/39/62/90/1268396290.db2.gz SVKZUNVWEJNALD-QAPCUYQASA-N 2 0 370.457 0.418 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)nn1 ZINC001552164579 1268396849 /nfs/dbraw/zinc/39/68/49/1268396849.db2.gz XMTFQPMWQVMRDU-XJKSGUPXSA-N 2 0 374.420 0.403 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552166477 1268397937 /nfs/dbraw/zinc/39/79/37/1268397937.db2.gz GDQCFOFXOALAPC-CQSZACIVSA-N 2 0 358.450 0.918 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552166476 1268398598 /nfs/dbraw/zinc/39/85/98/1268398598.db2.gz GDQCFOFXOALAPC-AWEZNQCLSA-N 2 0 358.450 0.918 20 0 FCADRP Cc1cc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)n(C2CC[NH+](C)CC2)n1 ZINC001552167723 1268399509 /nfs/dbraw/zinc/39/95/09/1268399509.db2.gz QQYXPSXTYRSNGC-AWEZNQCLSA-N 2 0 358.450 0.836 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)[C@H](C)C1 ZINC001552168426 1268400978 /nfs/dbraw/zinc/40/09/78/1268400978.db2.gz YQVZKCQIUQHWIK-OHFALNGGSA-N 2 0 364.494 0.169 20 0 FCADRP CN1CCC(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)([NH+]2CCCCC2)CC1 ZINC001552202967 1268409379 /nfs/dbraw/zinc/40/93/79/1268409379.db2.gz UBJQLIUNZRNEPS-QFBILLFUSA-N 2 0 350.507 0.289 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)nc1 ZINC001552203435 1268409710 /nfs/dbraw/zinc/40/97/10/1268409710.db2.gz BNHKNWVXCCAGPU-VQIMIIECSA-N 2 0 359.474 0.028 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cnn1C ZINC001552215124 1268412126 /nfs/dbraw/zinc/41/21/26/1268412126.db2.gz CDHOJRXLAHGJHC-BPQIPLTHSA-N 2 0 361.490 0.401 20 0 FCADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001552215766 1268412560 /nfs/dbraw/zinc/41/25/60/1268412560.db2.gz LUHZENYHFGGHRM-HOTGVXAUSA-N 2 0 361.494 0.053 20 0 FCADRP O=C(N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001552224105 1268415475 /nfs/dbraw/zinc/41/54/75/1268415475.db2.gz TYBWCRACPFKBGF-BRSBDYLESA-N 2 0 366.506 0.527 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC001552250959 1268421277 /nfs/dbraw/zinc/42/12/77/1268421277.db2.gz DYDYXGCYBADZTL-ROUUACIJSA-N 2 0 358.486 0.564 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cnn1C ZINC001552272977 1268429421 /nfs/dbraw/zinc/42/94/21/1268429421.db2.gz IUUREWYHEBNJLB-SAXRGWBVSA-N 2 0 359.396 0.627 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001552304033 1268435286 /nfs/dbraw/zinc/43/52/86/1268435286.db2.gz YSGQQPPUKIGMQR-MJGOQNOKSA-N 2 0 358.486 0.912 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111434 1268438971 /nfs/dbraw/zinc/43/89/71/1268438971.db2.gz CAWGPQRNYZRSDH-PZJWPPBQSA-N 2 0 374.529 0.986 20 0 FCADRP Cc1c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552438533 1268464820 /nfs/dbraw/zinc/46/48/20/1268464820.db2.gz MPJCWWSXIICKMY-HOTGVXAUSA-N 2 0 362.478 0.448 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](n3ccnn3)[C@@H]([NH+](C)C)C2)CC1 ZINC001552600191 1268483931 /nfs/dbraw/zinc/48/39/31/1268483931.db2.gz VERNCPRPJBQBHP-DLBZAZTESA-N 2 0 363.510 0.895 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001340248483 1268485765 /nfs/dbraw/zinc/48/57/65/1268485765.db2.gz INXXNDVRPHNPFM-OAQYLSRUSA-N 2 0 374.529 0.815 20 0 FCADRP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001552661508 1268513119 /nfs/dbraw/zinc/51/31/19/1268513119.db2.gz MVYRKMYWDPWYJU-ZNMIVQPWSA-N 2 0 361.494 0.459 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552693344 1268521631 /nfs/dbraw/zinc/52/16/31/1268521631.db2.gz AIGMCHRUVLJIOE-INMHGKMJSA-N 2 0 363.510 0.476 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552692975 1268522119 /nfs/dbraw/zinc/52/21/19/1268522119.db2.gz DBQFMKHDOMANCW-HOCLYGCPSA-N 2 0 350.467 0.561 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552700844 1268523141 /nfs/dbraw/zinc/52/31/41/1268523141.db2.gz RUUOPDBACDVVGQ-GDBMZVCRSA-N 2 0 350.467 0.515 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001552696687 1268523206 /nfs/dbraw/zinc/52/32/06/1268523206.db2.gz XBFFSFZEFYZLAN-INIZCTEOSA-N 2 0 360.506 0.729 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)CC1 ZINC001552771864 1268543758 /nfs/dbraw/zinc/54/37/58/1268543758.db2.gz VDIJNHIJYSLZQA-NVXWUHKLSA-N 2 0 358.490 0.751 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC001552914530 1268565380 /nfs/dbraw/zinc/56/53/80/1268565380.db2.gz RSZQFTFIXQYNOV-SJLPKXTDSA-N 2 0 359.474 0.460 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1C[NH+](C)C ZINC001552969073 1268571843 /nfs/dbraw/zinc/57/18/43/1268571843.db2.gz XOFRDLPGMLXBJN-IYBDPMFKSA-N 3 0 352.523 0.295 20 0 FCADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001340660653 1268617315 /nfs/dbraw/zinc/61/73/15/1268617315.db2.gz NCMGUBXGHFGSAN-UONOGXRCSA-N 2 0 368.275 0.519 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553386896 1268643065 /nfs/dbraw/zinc/64/30/65/1268643065.db2.gz WLIYGQUSJOCVHH-YOEHRIQHSA-N 2 0 351.472 0.248 20 0 FCADRP CN(C)C(=O)COc1cccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553389191 1268643184 /nfs/dbraw/zinc/64/31/84/1268643184.db2.gz KAUWLWXANCQDDE-LIRRHRJNSA-N 2 0 360.458 0.633 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415279 1268647495 /nfs/dbraw/zinc/64/74/95/1268647495.db2.gz SOGFPNUMMNAEHP-MDMSPXHWSA-N 2 0 350.507 0.523 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)C[C@@H](C)O1 ZINC001553430471 1268648455 /nfs/dbraw/zinc/64/84/55/1268648455.db2.gz MUIAENZGICEEDM-XQZMSQOBSA-N 2 0 351.491 0.854 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[C@@]4([NH3+])C3)cn2)CC1 ZINC001553429180 1268648502 /nfs/dbraw/zinc/64/85/02/1268648502.db2.gz VUHNUWKMWQLTMT-QFBILLFUSA-N 2 0 358.490 0.856 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C[C@@H]2[NH3+])c1 ZINC001553513394 1268661539 /nfs/dbraw/zinc/66/15/39/1268661539.db2.gz ZCDYRYXMIKJZSX-UAGQMJEPSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1C[C@H]([NH3+])C3(C1)CCOCC3)C2 ZINC001553522849 1268663288 /nfs/dbraw/zinc/66/32/88/1268663288.db2.gz BFIIAOFNOKESGO-ZDUSSCGKSA-N 2 0 351.476 0.520 20 0 FCADRP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001553545553 1268666873 /nfs/dbraw/zinc/66/68/73/1268666873.db2.gz DEMBZRHUDQEFMT-HPFXQQBRSA-N 2 0 363.506 0.321 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)C1 ZINC001340844998 1268678913 /nfs/dbraw/zinc/67/89/13/1268678913.db2.gz PLVQREVIUUBHKE-IPMKNSEASA-N 2 0 372.513 0.768 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC001340896706 1268698533 /nfs/dbraw/zinc/69/85/33/1268698533.db2.gz YDEBJDRTECWIKX-QGZVFWFLSA-N 2 0 354.458 0.415 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1n1ccnn1 ZINC001553829966 1268723830 /nfs/dbraw/zinc/72/38/30/1268723830.db2.gz MXCKVXDFWWVGAH-HOTGVXAUSA-N 2 0 352.402 0.486 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)nn1 ZINC001554035752 1268745633 /nfs/dbraw/zinc/74/56/33/1268745633.db2.gz MHKYYQSMQJIDQD-GOEBONIOSA-N 2 0 368.401 0.199 20 0 FCADRP Cc1c(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)nnn1[C@@H]1CC[NH2+]C1 ZINC001554047354 1268748491 /nfs/dbraw/zinc/74/84/91/1268748491.db2.gz UCEQGMKCOSPHLM-CYBMUJFWSA-N 2 0 367.417 0.617 20 0 FCADRP COC(=O)CCN1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)o2)[C@@H](C)C1 ZINC001341042072 1268757734 /nfs/dbraw/zinc/75/77/34/1268757734.db2.gz OVOCPEQALYVDEE-ZDUSSCGKSA-N 2 0 364.446 0.851 20 0 FCADRP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001341335118 1268941768 /nfs/dbraw/zinc/94/17/68/1268941768.db2.gz SQFGUTWHVDOEHI-ZACQAIPSSA-N 3 0 367.538 0.292 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001341616702 1269112403 /nfs/dbraw/zinc/11/24/03/1269112403.db2.gz ACFAKDFLOBPVFB-MGPUTAFESA-N 2 0 359.470 0.976 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001341627999 1269117853 /nfs/dbraw/zinc/11/78/53/1269117853.db2.gz VDESIONUNALCMG-HXUWFJFHSA-N 2 0 360.502 0.820 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341677903 1269147619 /nfs/dbraw/zinc/14/76/19/1269147619.db2.gz VIJZYIGDXXSNKI-SCTDSRPQSA-N 2 0 352.523 0.508 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001341717954 1269167564 /nfs/dbraw/zinc/16/75/64/1269167564.db2.gz WICYHRJYHMWXEA-IBGZPJMESA-N 2 0 353.507 0.890 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CSCC[NH2+]2)CC1=O ZINC001341897764 1269257066 /nfs/dbraw/zinc/25/70/66/1269257066.db2.gz NLYQQLKXAZQBCA-HRCADAONSA-N 2 0 368.547 0.531 20 0 FCADRP O=C(COC1C[NH2+]C1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001580560295 1278486592 /nfs/dbraw/zinc/48/65/92/1278486592.db2.gz GAKFWBDVCRVZJD-SFHVURJKSA-N 2 0 358.486 0.394 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925172 1269520895 /nfs/dbraw/zinc/52/08/95/1269520895.db2.gz WACDNVYCXHIHCN-HYVNUMGLSA-N 2 0 363.506 0.823 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001565927026 1269523525 /nfs/dbraw/zinc/52/35/25/1269523525.db2.gz KHEITQZYGJKVOQ-BHYGNILZSA-N 2 0 351.495 0.681 20 0 FCADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743963 1269747494 /nfs/dbraw/zinc/74/74/94/1269747494.db2.gz WBAIOPGIHHNXCD-GZBFAFLISA-N 2 0 367.494 0.141 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[NH2+]CCN3C)CC2)cc1 ZINC001343408408 1269900373 /nfs/dbraw/zinc/90/03/73/1269900373.db2.gz YILDNSZEPOCGGS-LJQANCHMSA-N 2 0 360.502 0.927 20 0 FCADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001343657836 1269975133 /nfs/dbraw/zinc/97/51/33/1269975133.db2.gz WBOGDUUXBODKCN-UHFFFAOYSA-N 2 0 355.446 0.996 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2O)CCC1 ZINC001572826581 1270203199 /nfs/dbraw/zinc/20/31/99/1270203199.db2.gz IUINGAXASHSBMO-HUUCEWRRSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261651 1271136576 /nfs/dbraw/zinc/13/65/76/1271136576.db2.gz KREMLUGTYBPRKG-HIFRSBDPSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574286496 1271161035 /nfs/dbraw/zinc/16/10/35/1271161035.db2.gz MOWKJCILWNYQBP-ZDUSSCGKSA-N 2 0 372.477 0.721 20 0 FCADRP O=C(NC[C@@H]1CCC2(C[NH2+]C2)O1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001580646008 1278622210 /nfs/dbraw/zinc/62/22/10/1278622210.db2.gz QNGXYNJKAVRURV-JKSUJKDBSA-N 2 0 352.479 0.450 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596082 1271395465 /nfs/dbraw/zinc/39/54/65/1271395465.db2.gz HVTDGTFZHVVAGB-BBRMVZONSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574670913 1271472191 /nfs/dbraw/zinc/47/21/91/1271472191.db2.gz GMGMVDZNZTYNKB-SWLSCSKDSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786631 1271519555 /nfs/dbraw/zinc/51/95/55/1271519555.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 2 0 357.462 0.755 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574830638 1271576702 /nfs/dbraw/zinc/57/67/02/1271576702.db2.gz HGNJWPLHACLGON-IUODEOHRSA-N 2 0 360.466 0.434 20 0 FCADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873314 1271624042 /nfs/dbraw/zinc/62/40/42/1271624042.db2.gz MVIXVWOKBKSGBU-CZUORRHYSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874882 1271628566 /nfs/dbraw/zinc/62/85/66/1271628566.db2.gz FLCRIKMSTRPCOM-NWDGAFQWSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875577 1271630874 /nfs/dbraw/zinc/63/08/74/1271630874.db2.gz IFTJIHBPPZXDQJ-GFCCVEGCSA-N 2 0 358.450 0.190 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876236 1271633498 /nfs/dbraw/zinc/63/34/98/1271633498.db2.gz KXZPVXQRKARXAD-SMDDNHRTSA-N 2 0 361.425 0.552 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574879213 1271639548 /nfs/dbraw/zinc/63/95/48/1271639548.db2.gz YMUDHDOXNLTFHW-CYBMUJFWSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574886650 1271647011 /nfs/dbraw/zinc/64/70/11/1271647011.db2.gz NQNSCAOUCQBSJY-CXAGYDPISA-N 2 0 369.473 0.803 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574889673 1271651866 /nfs/dbraw/zinc/65/18/66/1271651866.db2.gz XSLAJRZCIOUFAL-SUMWQHHRSA-N 2 0 369.473 0.803 20 0 FCADRP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001575057627 1271701684 /nfs/dbraw/zinc/70/16/84/1271701684.db2.gz SMHIQIWIHRBCFP-IAZCMVOBSA-N 2 0 350.507 0.260 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cn[nH]n3)C2)C1 ZINC001575276174 1271864100 /nfs/dbraw/zinc/86/41/00/1271864100.db2.gz PRSSCTRFOLZCNM-CKEIUWERSA-N 2 0 352.458 0.797 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]21)[NH+]1CCCC1 ZINC001575327383 1271937187 /nfs/dbraw/zinc/93/71/87/1271937187.db2.gz FSXWKIZHQQWXCH-ZJPYXAASSA-N 2 0 360.506 0.762 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575383283 1272025678 /nfs/dbraw/zinc/02/56/78/1272025678.db2.gz DZKTXJSWGLGRGD-VXGBXAGGSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001575445978 1272117871 /nfs/dbraw/zinc/11/78/71/1272117871.db2.gz YHSNMGKOLAMYCO-INIZCTEOSA-N 2 0 350.467 0.578 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CCO2)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001575648139 1272254855 /nfs/dbraw/zinc/25/48/55/1272254855.db2.gz GVIMREFIBYJPMZ-CYJAXWMASA-N 2 0 366.506 0.058 20 0 FCADRP CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575681346 1272294921 /nfs/dbraw/zinc/29/49/21/1272294921.db2.gz DIAPZQXOYIYRQW-KBPBESRZSA-N 2 0 370.523 0.058 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001575701684 1272320284 /nfs/dbraw/zinc/32/02/84/1272320284.db2.gz FQOCJGWGFXCTKR-WMLDXEAASA-N 2 0 364.494 0.631 20 0 FCADRP CC(C)NC(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001575709509 1272347397 /nfs/dbraw/zinc/34/73/97/1272347397.db2.gz MEJGQCYPLJDVQI-HNNXBMFYSA-N 2 0 363.510 0.758 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1CCC[N@H+](C)C(C)C ZINC001575711176 1272349192 /nfs/dbraw/zinc/34/91/92/1272349192.db2.gz CGHOYPLLAVJIOE-LSDHHAIUSA-N 2 0 365.526 0.930 20 0 FCADRP CC(CO)(CO)NC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001576038528 1272753644 /nfs/dbraw/zinc/75/36/44/1272753644.db2.gz WNSOUBUDYDQZFZ-UHFFFAOYSA-N 2 0 350.463 0.022 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001576052918 1272784242 /nfs/dbraw/zinc/78/42/42/1272784242.db2.gz OHUCORNFIIFAGA-CHWSQXEVSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH3+])CC1)[NH+](C)C ZINC001576066446 1272817339 /nfs/dbraw/zinc/81/73/39/1272817339.db2.gz UJRXNYKCSVIMOH-QWHCGFSZSA-N 2 0 370.523 0.058 20 0 FCADRP CC1CC[NH+](CC(=O)NC2(C[NH2+]CCc3cn[nH]n3)CCOCC2)CC1 ZINC001576105465 1272889699 /nfs/dbraw/zinc/88/96/99/1272889699.db2.gz VBNXZYUZXCCQOD-UHFFFAOYSA-N 2 0 364.494 0.334 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576115286 1272907344 /nfs/dbraw/zinc/90/73/44/1272907344.db2.gz OHQQHZOLNBWFSJ-CHWSQXEVSA-N 2 0 370.461 0.617 20 0 FCADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576246010 1273023373 /nfs/dbraw/zinc/02/33/73/1273023373.db2.gz KPQNVMPIIROMNO-WFASDCNBSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC001576245200 1273023657 /nfs/dbraw/zinc/02/36/57/1273023657.db2.gz OIMKVQKWDNTZFG-YPMHNXCESA-N 2 0 357.442 0.625 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576249045 1273029580 /nfs/dbraw/zinc/02/95/80/1273029580.db2.gz WLKMLJYTQMLSBI-QWHCGFSZSA-N 2 0 358.450 0.142 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576247994 1273029674 /nfs/dbraw/zinc/02/96/74/1273029674.db2.gz RUVJJEYQAUPZMI-KGLIPLIRSA-N 2 0 372.477 0.532 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576254358 1273035571 /nfs/dbraw/zinc/03/55/71/1273035571.db2.gz CNEDBTHAWCKMQY-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP CC[C@@H](C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576482905 1273323210 /nfs/dbraw/zinc/32/32/10/1273323210.db2.gz OZHZBHKIRYSVET-WFASDCNBSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576491321 1273347439 /nfs/dbraw/zinc/34/74/39/1273347439.db2.gz XCLXWZTYGMCPOY-CZUORRHYSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576492592 1273348732 /nfs/dbraw/zinc/34/87/32/1273348732.db2.gz PVKZMFYGAAYAGD-AAEUAGOBSA-N 2 0 363.491 0.959 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492758 1273351518 /nfs/dbraw/zinc/35/15/18/1273351518.db2.gz STGKNJRXEYBSDT-IUODEOHRSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492722 1273351665 /nfs/dbraw/zinc/35/16/65/1273351665.db2.gz RNSYKDHOFFAAGI-BBRMVZONSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576498443 1273357716 /nfs/dbraw/zinc/35/77/16/1273357716.db2.gz AMNRUPMMULEONU-ZFWWWQNUSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499174 1273362722 /nfs/dbraw/zinc/36/27/22/1273362722.db2.gz PSKVUHPPUSYIIJ-NHYWBVRUSA-N 2 0 360.466 0.496 20 0 FCADRP CC[C@@H](C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576500737 1273365415 /nfs/dbraw/zinc/36/54/15/1273365415.db2.gz SNJJFQVZYKFXGK-ZUEPYMLJSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@H](C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1)[NH+](C)C ZINC001576500717 1273365499 /nfs/dbraw/zinc/36/54/99/1273365499.db2.gz SEXZPLUBUVVLSA-OAHLLOKOSA-N 2 0 372.477 0.783 20 0 FCADRP CC[C@H](C(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576504908 1273372663 /nfs/dbraw/zinc/37/26/63/1273372663.db2.gz BTUVENGIBACVLX-OAHLLOKOSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576508262 1273379402 /nfs/dbraw/zinc/37/94/02/1273379402.db2.gz FWRKHXQKFZPFEL-OWCLPIDISA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576511929 1273386463 /nfs/dbraw/zinc/38/64/63/1273386463.db2.gz GMWNWJPUURGVPN-DZKIICNBSA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576512806 1273392601 /nfs/dbraw/zinc/39/26/01/1273392601.db2.gz SQIQZLNWBNUIKN-XJKCOSOUSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576515904 1273397390 /nfs/dbraw/zinc/39/73/90/1273397390.db2.gz HUJKWSVUFIICDU-YJBOKZPZSA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518532 1273404552 /nfs/dbraw/zinc/40/45/52/1273404552.db2.gz MOPDWBDLTUJEFR-GJZGRUSLSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@H+]1CC=CCC1 ZINC001576575321 1273454715 /nfs/dbraw/zinc/45/47/15/1273454715.db2.gz ZFASOUZTBUTQDE-HOTGVXAUSA-N 2 0 373.505 0.631 20 0 FCADRP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)C2=O ZINC001576669021 1273534610 /nfs/dbraw/zinc/53/46/10/1273534610.db2.gz KOMYPWOMJNNTOT-JZLYGMAVSA-N 2 0 351.451 0.189 20 0 FCADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCc3cn[nH]n3)CCOCC2)CCC1 ZINC001576747138 1273618546 /nfs/dbraw/zinc/61/85/46/1273618546.db2.gz HYSHCWCAKCUSIQ-UHFFFAOYSA-N 2 0 350.467 0.087 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@H]32)cc1 ZINC001576749422 1273619446 /nfs/dbraw/zinc/61/94/46/1273619446.db2.gz DUNHOKBSEZCQMU-BWTSREIZSA-N 2 0 368.485 0.812 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792453 1273694080 /nfs/dbraw/zinc/69/40/80/1273694080.db2.gz VFLQTVQNDLROBD-CZUORRHYSA-N 2 0 372.477 0.783 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576794927 1273696175 /nfs/dbraw/zinc/69/61/75/1273696175.db2.gz GYESHAKWGAFCFN-DZGCQCFKSA-N 2 0 370.461 0.332 20 0 FCADRP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806593 1273716718 /nfs/dbraw/zinc/71/67/18/1273716718.db2.gz NWSQQGSRNCQNQZ-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C2CC2)[NH+](C)C)CC[NH2+]1 ZINC001576825586 1273750434 /nfs/dbraw/zinc/75/04/34/1273750434.db2.gz JACHJENPXHCYIW-XJKSGUPXSA-N 2 0 356.478 0.873 20 0 FCADRP O=C(NCc1cn(C2C[NH2+]C2)nn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001580725127 1278813029 /nfs/dbraw/zinc/81/30/29/1278813029.db2.gz QGPKZINZTQTNJQ-INIZCTEOSA-N 2 0 354.458 0.951 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576843163 1273783783 /nfs/dbraw/zinc/78/37/83/1273783783.db2.gz WHINLPDDMVPFDY-HZSPNIEDSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576847110 1273793639 /nfs/dbraw/zinc/79/36/39/1273793639.db2.gz CANPRHIOSPUNQY-HZPDHXFCSA-N 2 0 357.462 0.945 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576848395 1273794155 /nfs/dbraw/zinc/79/41/55/1273794155.db2.gz ZEPMCJZJIFQFAX-SFHVURJKSA-N 2 0 356.474 0.712 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850932 /nfs/dbraw/zinc/85/09/32/1273850932.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 0 368.485 0.883 20 0 FCADRP C[NH+]1CCC(OCC(=O)NC2CC3(C2)CC([NH2+]Cc2cnn[nH]2)C3)CC1 ZINC001576882705 1273863271 /nfs/dbraw/zinc/86/32/71/1273863271.db2.gz JGLMHZDLNYIDLM-UHFFFAOYSA-N 2 0 362.478 0.433 20 0 FCADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026562 1274082275 /nfs/dbraw/zinc/08/22/75/1274082275.db2.gz GACUWWIHRMIUIG-GJZGRUSLSA-N 2 0 366.510 0.676 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577553800 1274495675 /nfs/dbraw/zinc/49/56/75/1274495675.db2.gz JBDFXOOZCDCTAT-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554815 1274496866 /nfs/dbraw/zinc/49/68/66/1274496866.db2.gz VPWLHGGURBPOTF-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554410 1274497218 /nfs/dbraw/zinc/49/72/18/1274497218.db2.gz RNRWIVPEDNTNGJ-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577554210 1274497311 /nfs/dbraw/zinc/49/73/11/1274497311.db2.gz QOBUYDJNBLVKGL-TZMCWYRMSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558283 1274502485 /nfs/dbraw/zinc/50/24/85/1274502485.db2.gz FMLBKRNVIFRHJH-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577563201 1274515396 /nfs/dbraw/zinc/51/53/96/1274515396.db2.gz MYBOMKWRPFNLFB-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CCC[N@H+](C)CC(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577563764 1274518164 /nfs/dbraw/zinc/51/81/64/1274518164.db2.gz ZYWQLGNVUONOPT-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568697 1274525924 /nfs/dbraw/zinc/52/59/24/1274525924.db2.gz VKZBFRUCNMQAKS-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568186 1274526557 /nfs/dbraw/zinc/52/65/57/1274526557.db2.gz MWRRRRARLBXVCO-ZDUSSCGKSA-N 2 0 360.466 0.674 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576132 1274542234 /nfs/dbraw/zinc/54/22/34/1274542234.db2.gz QHVFFKFYQZTODJ-HDJSIYSDSA-N 2 0 372.477 0.783 20 0 FCADRP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577633734 1274621506 /nfs/dbraw/zinc/62/15/06/1274621506.db2.gz IEKOZMXUQNCPDY-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665010 1274683451 /nfs/dbraw/zinc/68/34/51/1274683451.db2.gz LBYREARZQIUKGH-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667536 1274689820 /nfs/dbraw/zinc/68/98/20/1274689820.db2.gz DWJDUSWDHZKDSX-CZUORRHYSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673365 1274708685 /nfs/dbraw/zinc/70/86/85/1274708685.db2.gz JTZUECMZNDFFDU-XJKCOSOUSA-N 2 0 370.461 0.617 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@@H]1C ZINC001577760600 1274843460 /nfs/dbraw/zinc/84/34/60/1274843460.db2.gz YRHUUTWIPICRNE-SOUVJXGZSA-N 2 0 363.510 0.887 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577770667 1274855437 /nfs/dbraw/zinc/85/54/37/1274855437.db2.gz MYAFKHOOOKOVGT-DEYYWGMASA-N 2 0 361.494 0.438 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@@H]1C ZINC001577782310 1274878011 /nfs/dbraw/zinc/87/80/11/1274878011.db2.gz YTXLRYXWUYMHPO-LSDHHAIUSA-N 2 0 373.509 0.452 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577866142 1275042000 /nfs/dbraw/zinc/04/20/00/1275042000.db2.gz ASHCUFHWZWYKKQ-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577866527 1275046172 /nfs/dbraw/zinc/04/61/72/1275046172.db2.gz HYZYFVFAECXQEW-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882574 1275082503 /nfs/dbraw/zinc/08/25/03/1275082503.db2.gz HENZBBBVODHTMC-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577885839 1275090788 /nfs/dbraw/zinc/09/07/88/1275090788.db2.gz POLVVIXKMPSTPZ-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888174 1275094099 /nfs/dbraw/zinc/09/40/99/1275094099.db2.gz FLHSXMLHRZEBGA-GFCCVEGCSA-N 2 0 360.466 0.641 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577899368 1275110545 /nfs/dbraw/zinc/11/05/45/1275110545.db2.gz ZXGCPELMOIPGMX-JOCQHMNTSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945156 1275162045 /nfs/dbraw/zinc/16/20/45/1275162045.db2.gz BIQRHLMHEDSVFY-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCN(CCNC(=O)C1CC[NH+](C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577949321 1275168796 /nfs/dbraw/zinc/16/87/96/1275168796.db2.gz FSOSRSKDYFLOEG-UHFFFAOYSA-N 2 0 358.450 0.546 20 0 FCADRP O=C(NC[C@@H](CO)[NH2+]CCc1cn[nH]n1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986371 1275225445 /nfs/dbraw/zinc/22/54/45/1275225445.db2.gz AVBGLGFUBQTAPE-RDJZCZTQSA-N 2 0 364.494 0.211 20 0 FCADRP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCCN1CC[NH+](CC)CC1 ZINC001578144069 1275443536 /nfs/dbraw/zinc/44/35/36/1275443536.db2.gz ADBOOKDESDVXAQ-MRXNPFEDSA-N 2 0 365.526 0.380 20 0 FCADRP CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC001578209140 1275501565 /nfs/dbraw/zinc/50/15/65/1275501565.db2.gz HAACSWKOWZHDEF-UHFFFAOYSA-N 2 0 356.492 0.593 20 0 FCADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412495 1275782509 /nfs/dbraw/zinc/78/25/09/1275782509.db2.gz OBQOKZYGEZVDEZ-DLBZAZTESA-N 2 0 352.523 0.759 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001578416776 1275786243 /nfs/dbraw/zinc/78/62/43/1275786243.db2.gz BTGMZNIUMRVKSC-HNNXBMFYSA-N 2 0 351.451 0.200 20 0 FCADRP C[NH+](C)CCSc1nc(CC(=O)NC[C@@H]2C[NH2+]CCCO2)cs1 ZINC001578418805 1275787138 /nfs/dbraw/zinc/78/71/38/1275787138.db2.gz GHHRBIQYNPCYND-ZDUSSCGKSA-N 2 0 358.533 0.834 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC1([NH3+])CCC1 ZINC001578419174 1275787415 /nfs/dbraw/zinc/78/74/15/1275787415.db2.gz ZDZUBDUAYWLURX-KRWDZBQOSA-N 2 0 358.486 0.889 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001578418315 1275787568 /nfs/dbraw/zinc/78/75/68/1275787568.db2.gz FWONYSJZVQZGOP-CQSZACIVSA-N 2 0 350.467 0.385 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[NH2+]C1CC1 ZINC001578419008 1275787681 /nfs/dbraw/zinc/78/76/81/1275787681.db2.gz VDUFNKLAPUDGKH-SFHVURJKSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C)[NH+](C)C ZINC001578421959 1275789850 /nfs/dbraw/zinc/78/98/50/1275789850.db2.gz PEFXFXRBNGBLNV-SNPRPXQTSA-N 2 0 372.477 0.994 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001578525775 1275957833 /nfs/dbraw/zinc/95/78/33/1275957833.db2.gz PRSDGSGMCDIBJC-ZRGWGRIASA-N 2 0 362.522 0.589 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCO[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001578536122 1275964518 /nfs/dbraw/zinc/96/45/18/1275964518.db2.gz BDNZUMYMEXTDPA-HXUWFJFHSA-N 2 0 358.486 0.639 20 0 FCADRP C[NH2+][C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578578705 1276012233 /nfs/dbraw/zinc/01/22/33/1276012233.db2.gz IEMOUBVFUYTSKA-ZFWWWQNUSA-N 2 0 361.494 0.369 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001578610755 1276046305 /nfs/dbraw/zinc/04/63/05/1276046305.db2.gz BNCAOTJSKSRMEW-UMVBOHGHSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578611653 1276047074 /nfs/dbraw/zinc/04/70/74/1276047074.db2.gz SREBDIJNZNCAEP-LIRRHRJNSA-N 2 0 374.464 0.949 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC001578749739 1276231131 /nfs/dbraw/zinc/23/11/31/1276231131.db2.gz GTVHFTVAJPRPQK-HIFPTAJRSA-N 2 0 354.476 0.781 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC1CC[NH+](CC3CC3)CC1)C2 ZINC001578843443 1276363890 /nfs/dbraw/zinc/36/38/90/1276363890.db2.gz UCMYKCAWSVAPAQ-ZRGWGRIASA-N 2 0 364.490 0.783 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578971075 1276516038 /nfs/dbraw/zinc/51/60/38/1276516038.db2.gz SLTCOWAZUHDMFW-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578972560 1276518327 /nfs/dbraw/zinc/51/83/27/1276518327.db2.gz RKLJRUPLMFNJTD-CYBMUJFWSA-N 2 0 370.461 0.546 20 0 FCADRP CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578974920 1276524581 /nfs/dbraw/zinc/52/45/81/1276524581.db2.gz XIXZQVKCIHSNLB-ZDUSSCGKSA-N 2 0 358.450 0.498 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578975984 1276526163 /nfs/dbraw/zinc/52/61/63/1276526163.db2.gz MMZMGHPAZCPJOQ-MRXNPFEDSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578976964 1276530244 /nfs/dbraw/zinc/53/02/44/1276530244.db2.gz HNFUYITXYKMGHA-INIZCTEOSA-N 2 0 373.461 0.135 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001578978676 1276536155 /nfs/dbraw/zinc/53/61/55/1276536155.db2.gz LKAASOZDQYTAFH-HUUCEWRRSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578979280 1276539281 /nfs/dbraw/zinc/53/92/81/1276539281.db2.gz YSGSCORRIWENHC-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578980923 1276542511 /nfs/dbraw/zinc/54/25/11/1276542511.db2.gz QXNPZQBANYKFRG-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578984226 1276549136 /nfs/dbraw/zinc/54/91/36/1276549136.db2.gz XCWJSICDSGLIBM-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578987845 1276560107 /nfs/dbraw/zinc/56/01/07/1276560107.db2.gz UEWUAKVFNRHNKP-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001578992556 1276567444 /nfs/dbraw/zinc/56/74/44/1276567444.db2.gz ZSALSXCOACHUBH-UHFFFAOYSA-N 2 0 358.450 0.152 20 0 FCADRP C[N@H+](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579006494 1276578089 /nfs/dbraw/zinc/57/80/89/1276578089.db2.gz DMLHAMUCTLPNGG-UHFFFAOYSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579010778 1276584842 /nfs/dbraw/zinc/58/48/42/1276584842.db2.gz NHRRDKRXWNBHSR-JOCQHMNTSA-N 2 0 370.461 0.475 20 0 FCADRP COCC[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579025891 1276608947 /nfs/dbraw/zinc/60/89/47/1276608947.db2.gz HKORCMBJSMXBFO-OAHLLOKOSA-N 2 0 362.482 0.184 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579027831 1276610027 /nfs/dbraw/zinc/61/00/27/1276610027.db2.gz QTOPQRYYJQUSDS-IAGOWNOFSA-N 2 0 356.511 0.883 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH3+])C[C@H]1C ZINC001579037573 1276620670 /nfs/dbraw/zinc/62/06/70/1276620670.db2.gz RWCXMLDMCWWSPZ-ARFHVFGLSA-N 2 0 366.510 0.881 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579127345 1276809455 /nfs/dbraw/zinc/80/94/55/1276809455.db2.gz RYWSFOWFAVARBG-CYBMUJFWSA-N 2 0 363.491 0.961 20 0 FCADRP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579127525 1276811274 /nfs/dbraw/zinc/81/12/74/1276811274.db2.gz VIPCJBDRYIKICD-UHFFFAOYSA-N 2 0 357.462 0.901 20 0 FCADRP CN(CCNC(=O)C12CCC[NH+](CCC1)C2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579167524 1276918415 /nfs/dbraw/zinc/91/84/15/1276918415.db2.gz ZWWKMCITOPINQM-UHFFFAOYSA-N 2 0 370.461 0.690 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325691 1277146603 /nfs/dbraw/zinc/14/66/03/1277146603.db2.gz FGWOPKCOLTVPIQ-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325692 1277147888 /nfs/dbraw/zinc/14/78/88/1277147888.db2.gz FGWOPKCOLTVPIQ-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326576 1277149034 /nfs/dbraw/zinc/14/90/34/1277149034.db2.gz PQIAQFMQWUTYBD-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326969 1277152878 /nfs/dbraw/zinc/15/28/78/1277152878.db2.gz NJHOPNUITNHSMT-HOCLYGCPSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327198 1277153063 /nfs/dbraw/zinc/15/30/63/1277153063.db2.gz QCQPCXKFFXEJNZ-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327377 1277154343 /nfs/dbraw/zinc/15/43/43/1277154343.db2.gz RLSRFIHDTBWSDC-NVXWUHKLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327746 1277154479 /nfs/dbraw/zinc/15/44/79/1277154479.db2.gz XAZKLGMPKVEPRA-STQMWFEESA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327924 1277158037 /nfs/dbraw/zinc/15/80/37/1277158037.db2.gz ZHAXXRRGPHBTDX-JKSUJKDBSA-N 2 0 355.446 0.509 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579329592 1277160058 /nfs/dbraw/zinc/16/00/58/1277160058.db2.gz RGJFUCZHIMJEAD-ZDUSSCGKSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579333623 1277168911 /nfs/dbraw/zinc/16/89/11/1277168911.db2.gz RMXKFVDWBUSXRP-HNNXBMFYSA-N 2 0 355.446 0.557 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334937 1277173228 /nfs/dbraw/zinc/17/32/28/1277173228.db2.gz JVAPRRDCQJKDQX-SIWZUTFBSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579338373 1277181025 /nfs/dbraw/zinc/18/10/25/1277181025.db2.gz LOIUZJJCUUWECL-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339759 1277182699 /nfs/dbraw/zinc/18/26/99/1277182699.db2.gz LSDPHYKSIQTUEA-IJLUTSLNSA-N 2 0 361.475 0.617 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339769 1277183749 /nfs/dbraw/zinc/18/37/49/1277183749.db2.gz LYJDMTSEHGKJHO-IHRRRGAJSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342624 1277190805 /nfs/dbraw/zinc/19/08/05/1277190805.db2.gz APSJQQCZJDXNBX-GOEBONIOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579342750 1277193286 /nfs/dbraw/zinc/19/32/86/1277193286.db2.gz CROIJAXHOLKTSZ-CYBMUJFWSA-N 2 0 370.461 0.689 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579345137 1277196939 /nfs/dbraw/zinc/19/69/39/1277196939.db2.gz JHJJAWUOIWCAFT-HNNXBMFYSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347266 1277201504 /nfs/dbraw/zinc/20/15/04/1277201504.db2.gz ZRBMNXFAUODZMJ-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353383 1277211023 /nfs/dbraw/zinc/21/10/23/1277211023.db2.gz KTJYSFPOTAYICO-DOMZBBRYSA-N 2 0 356.434 0.181 20 0 FCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353359 1277211945 /nfs/dbraw/zinc/21/19/45/1277211945.db2.gz JUVRKMWAFFEXDQ-WBVHZDCISA-N 2 0 369.473 0.994 20 0 FCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353356 1277212159 /nfs/dbraw/zinc/21/21/59/1277212159.db2.gz JUVRKMWAFFEXDQ-DOTOQJQBSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579357586 1277224981 /nfs/dbraw/zinc/22/49/81/1277224981.db2.gz YZPRNOPZWNAUSK-CVEARBPZSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579358431 1277226734 /nfs/dbraw/zinc/22/67/34/1277226734.db2.gz DLGYQPOGILMODC-OAHLLOKOSA-N 2 0 355.446 0.699 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359761 1277233332 /nfs/dbraw/zinc/23/33/32/1277233332.db2.gz CLJYCNYBGWTZIX-KGLIPLIRSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579359767 1277233673 /nfs/dbraw/zinc/23/36/73/1277233673.db2.gz CLTSVMXMOQRWNZ-QRTARXTBSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361647 1277238937 /nfs/dbraw/zinc/23/89/37/1277238937.db2.gz PNKHLTOODXSULP-JYJNAYRXSA-N 2 0 355.446 0.698 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001579444306 1277332380 /nfs/dbraw/zinc/33/23/80/1277332380.db2.gz DELDFWHKJAZNCK-KDOFPFPSSA-N 2 0 359.478 0.148 20 0 FCADRP Cc1cc(C)n(Cc2nnc(N3CC[C@H]([NH3+])C3)n2CC[N@H+]2CC=CCC2)n1 ZINC001579585074 1277612066 /nfs/dbraw/zinc/61/20/66/1277612066.db2.gz CWHAFFPWHFXTET-KRWDZBQOSA-N 2 0 370.505 0.939 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001579963491 1277980902 /nfs/dbraw/zinc/98/09/02/1277980902.db2.gz ORXXZIUOLSMLKH-LBPRGKRZSA-N 2 0 361.450 0.421 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580027565 1277995339 /nfs/dbraw/zinc/99/53/39/1277995339.db2.gz DSBOFLZOXPVDNM-GXTWGEPZSA-N 2 0 373.461 0.421 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH3+])C3)c1 ZINC001580169613 1278025629 /nfs/dbraw/zinc/02/56/29/1278025629.db2.gz HZTMOIOMCREQCO-OBJOEFQTSA-N 2 0 352.460 0.474 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001580272937 1278068074 /nfs/dbraw/zinc/06/80/74/1278068074.db2.gz UUDOSCQCROMRSV-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001580279847 1278078047 /nfs/dbraw/zinc/07/80/47/1278078047.db2.gz IUGVCSKNOKOJNA-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP O=S(=O)(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC001580869788 1279072545 /nfs/dbraw/zinc/07/25/45/1279072545.db2.gz IGKGWFXPSSFGNB-IRXDYDNUSA-N 2 0 353.488 0.425 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001603200521 1287327507 /nfs/dbraw/zinc/32/75/07/1287327507.db2.gz DCVPIFGBPSQRTQ-WFASDCNBSA-N 2 0 360.466 0.789 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943374 1279151474 /nfs/dbraw/zinc/15/14/74/1279151474.db2.gz FKWMFBDITDNJFG-ZDUSSCGKSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954883 1279158488 /nfs/dbraw/zinc/15/84/88/1279158488.db2.gz BZEPQSZNRUEWHV-ZIAGYGMSSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1cc(N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956072 1279160498 /nfs/dbraw/zinc/16/04/98/1279160498.db2.gz GREAPKKAVZIQLA-AWEZNQCLSA-N 2 0 372.477 0.854 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959280 1279164065 /nfs/dbraw/zinc/16/40/65/1279164065.db2.gz URBJYHXKAUEPGW-GXTWGEPZSA-N 2 0 356.434 0.359 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961356 1279165728 /nfs/dbraw/zinc/16/57/28/1279165728.db2.gz ILXYBMWQXMCRPW-CYBMUJFWSA-N 2 0 368.445 0.361 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988046 1279186588 /nfs/dbraw/zinc/18/65/88/1279186588.db2.gz PFTCFCVZSAAECK-LBPRGKRZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987832 1279187609 /nfs/dbraw/zinc/18/76/09/1279187609.db2.gz MPSGCZNOPHLPCG-WBMJQRKESA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992907 1279197919 /nfs/dbraw/zinc/19/79/19/1279197919.db2.gz BFCPOSDYKCXPQV-LBPRGKRZSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994198 1279200800 /nfs/dbraw/zinc/20/08/00/1279200800.db2.gz RKRRGJUHUZCTSH-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994164 1279200865 /nfs/dbraw/zinc/20/08/65/1279200865.db2.gz QPBSSLICFIDLGO-XJKSGUPXSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995426 1279205825 /nfs/dbraw/zinc/20/58/25/1279205825.db2.gz HIOAAPAXALDVRI-DOMZBBRYSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NC2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580998913 1279214153 /nfs/dbraw/zinc/21/41/53/1279214153.db2.gz UQNRIBFXBWBNEF-HNNXBMFYSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006071 1279224785 /nfs/dbraw/zinc/22/47/85/1279224785.db2.gz JZIVWTNUINVZTI-INIZCTEOSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC2CC[NH+](CCNC(=O)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009619 1279234927 /nfs/dbraw/zinc/23/49/27/1279234927.db2.gz YNSQJLCWPDMFJV-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015819 1279244241 /nfs/dbraw/zinc/24/42/41/1279244241.db2.gz DODYHJBUNNHGGX-HOTGVXAUSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023960 1279255007 /nfs/dbraw/zinc/25/50/07/1279255007.db2.gz XUDKDOTWSNDUEP-KBPBESRZSA-N 2 0 370.461 0.204 20 0 FCADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001715603007 1287358800 /nfs/dbraw/zinc/35/88/00/1287358800.db2.gz SJHHDNDLFISDCT-KSZLIROESA-N 2 0 371.485 0.332 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582097681 1281052305 /nfs/dbraw/zinc/05/23/05/1281052305.db2.gz KEWMMKNOCVLIAR-ZDUSSCGKSA-N 2 0 356.434 0.182 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582099210 1281054511 /nfs/dbraw/zinc/05/45/11/1281054511.db2.gz LYGXJXBIBRHYQF-QGZVFWFLSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582099515 1281055376 /nfs/dbraw/zinc/05/53/76/1281055376.db2.gz UHDRXUZJWGFYJX-KRWDZBQOSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001582100309 1281057119 /nfs/dbraw/zinc/05/71/19/1281057119.db2.gz DXVCMNSSDPQNMC-VIKVFOODSA-N 2 0 373.486 0.570 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582100896 1281058513 /nfs/dbraw/zinc/05/85/13/1281058513.db2.gz UDFCGIXLITWUKZ-HDJSIYSDSA-N 2 0 373.436 0.838 20 0 FCADRP O=C(NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C12CC[NH+](CC1)C2 ZINC001582362535 1281413919 /nfs/dbraw/zinc/41/39/19/1281413919.db2.gz HHRXNTXFAPAPCU-HNNXBMFYSA-N 2 0 368.445 0.086 20 0 FCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001603839533 1287513358 /nfs/dbraw/zinc/51/33/58/1287513358.db2.gz ZIHIISRGRVTOBT-GXTWGEPZSA-N 2 0 358.450 0.427 20 0 FCADRP O=C(NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582541130 1281733792 /nfs/dbraw/zinc/73/37/92/1281733792.db2.gz VWDQRYWZBONRBM-JOCQHMNTSA-N 2 0 368.445 0.086 20 0 FCADRP O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001582613105 1281807193 /nfs/dbraw/zinc/80/71/93/1281807193.db2.gz DJKJDLRERXTMFL-UMVBOHGHSA-N 2 0 368.445 0.085 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001604270341 1287597524 /nfs/dbraw/zinc/59/75/24/1287597524.db2.gz BQVHDZHBFKAELN-ZIAGYGMSSA-N 2 0 372.477 0.735 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001589676601 1282935952 /nfs/dbraw/zinc/93/59/52/1282935952.db2.gz GIIMKLUNVYUQGD-UHFFFAOYSA-N 2 0 363.441 0.942 20 0 FCADRP CC[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001604357125 1287613087 /nfs/dbraw/zinc/61/30/87/1287613087.db2.gz UMLXHDMGYZRSGX-UHFFFAOYSA-N 2 0 374.493 0.940 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001589815452 1283046354 /nfs/dbraw/zinc/04/63/54/1283046354.db2.gz TULDSEZRMSWROI-ZDUSSCGKSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1N(C)C)CN1CC[NH+](C)CC1 ZINC001589870306 1283103871 /nfs/dbraw/zinc/10/38/71/1283103871.db2.gz JWMRDYZNYBQVRU-HNNXBMFYSA-N 2 0 372.521 0.906 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001590270724 1283395961 /nfs/dbraw/zinc/39/59/61/1283395961.db2.gz KETXTCVYJCIRKF-LBPRGKRZSA-N 2 0 361.425 0.553 20 0 FCADRP CC1CC[NH+](CC(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590270836 1283397520 /nfs/dbraw/zinc/39/75/20/1283397520.db2.gz OPWMDQATPAUKSM-UHFFFAOYSA-N 2 0 358.450 0.334 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001682287311 1283556527 /nfs/dbraw/zinc/55/65/27/1283556527.db2.gz ZEFILOMHRPFULD-YESZJQIVSA-N 2 0 362.518 0.729 20 0 FCADRP CC[NH+](CC)CCOCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001590689397 1283731724 /nfs/dbraw/zinc/73/17/24/1283731724.db2.gz ABJATFAJECMAMX-UHFFFAOYSA-N 2 0 359.438 0.357 20 0 FCADRP CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590696355 1283738709 /nfs/dbraw/zinc/73/87/09/1283738709.db2.gz LJCHCZJEEBDBFD-HNNXBMFYSA-N 2 0 372.477 0.997 20 0 FCADRP C[N@H+](CC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001591038636 1284099822 /nfs/dbraw/zinc/09/98/22/1284099822.db2.gz HJWXRVPIZNRUAD-WAYWQWQTSA-N 2 0 372.477 0.746 20 0 FCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172504 1284255860 /nfs/dbraw/zinc/25/58/60/1284255860.db2.gz VSKGQOSECJRCIV-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001591172899 1284260051 /nfs/dbraw/zinc/26/00/51/1284260051.db2.gz MXPWDHALUUHDRD-CQSZACIVSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175098 1284263586 /nfs/dbraw/zinc/26/35/86/1284263586.db2.gz GRKZYEFIWHVZSZ-SFAKSCPVSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001591175952 1284265064 /nfs/dbraw/zinc/26/50/64/1284265064.db2.gz AHODPUPLNZKFFU-BMFZPTHFSA-N 2 0 369.473 0.945 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001604680638 1287727895 /nfs/dbraw/zinc/72/78/95/1287727895.db2.gz OGVFXQWWTUJSDV-SFHVURJKSA-N 2 0 370.461 0.642 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001591561694 1284734881 /nfs/dbraw/zinc/73/48/81/1284734881.db2.gz MDYTYIASBJLXSX-CQSZACIVSA-N 2 0 359.434 0.175 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753897 1284882362 /nfs/dbraw/zinc/88/23/62/1284882362.db2.gz GTMIKCRCEHBFPF-COXVUDFISA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001591774495 1284896580 /nfs/dbraw/zinc/89/65/80/1284896580.db2.gz NWQCZYHHDXFTKD-IHRRRGAJSA-N 2 0 370.461 0.427 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996403 1285050967 /nfs/dbraw/zinc/05/09/67/1285050967.db2.gz KTCRMEYGGLKMQQ-UHFFFAOYSA-N 2 0 358.450 0.608 20 0 FCADRP Cc1cc(NC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046706 1285087633 /nfs/dbraw/zinc/08/76/33/1285087633.db2.gz MQAIHNBFRFCELI-XGACYXMMSA-N 2 0 370.461 0.418 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001592743544 1285663294 /nfs/dbraw/zinc/66/32/94/1285663294.db2.gz CSHIPBCSUWNCCZ-UHFFFAOYSA-N 2 0 373.870 0.208 20 0 FCADRP O=C([C@H]1CCC[N@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1)N1CC[NH2+]CC1 ZINC001592784112 1285707327 /nfs/dbraw/zinc/70/73/27/1285707327.db2.gz VHGCWAOPOWQQAN-KRWDZBQOSA-N 2 0 369.473 0.553 20 0 FCADRP O=C(NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001593074548 1285969795 /nfs/dbraw/zinc/96/97/95/1285969795.db2.gz MSNLCOYZYRNCAO-UHFFFAOYSA-N 2 0 361.475 0.620 20 0 FCADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504093 1286183588 /nfs/dbraw/zinc/18/35/88/1286183588.db2.gz FUUZMAWTJIIISA-SOUVJXGZSA-N 2 0 358.446 0.823 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@@H+]1C ZINC001707067065 1286436680 /nfs/dbraw/zinc/43/66/80/1286436680.db2.gz ZCHMAPVAJFVBQN-UHDSXZAQSA-N 2 0 366.506 0.106 20 0 FCADRP Cc1cc(N[C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605722635 1288061988 /nfs/dbraw/zinc/06/19/88/1288061988.db2.gz HANYIZOYHDHVKP-KBPBESRZSA-N 2 0 372.477 0.783 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)[NH+](CC)CC ZINC001719302826 1288070719 /nfs/dbraw/zinc/07/07/19/1288070719.db2.gz PUEAPTVZBUTRQC-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[NH+](C)C3CCC3)CC2)CC[N@@H+]1C ZINC001720401426 1288229746 /nfs/dbraw/zinc/22/97/46/1288229746.db2.gz QNQBJOFTKXDXHB-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[NH+](C)C2CCC2)C2CC2)CC[N@@H+]1C ZINC001721234170 1288317350 /nfs/dbraw/zinc/31/73/50/1288317350.db2.gz GGDSRJGLTPUMHZ-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(C[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001606587860 1288398190 /nfs/dbraw/zinc/39/81/90/1288398190.db2.gz CFRBFNUNEGMSLW-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001722074864 1288398597 /nfs/dbraw/zinc/39/85/97/1288398597.db2.gz YPTBRMXPHFXNTE-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)no1 ZINC001724786173 1288450324 /nfs/dbraw/zinc/45/03/24/1288450324.db2.gz NVTFMUUSXFCBCK-ZIAGYGMSSA-N 2 0 363.462 0.890 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001731444434 1288557072 /nfs/dbraw/zinc/55/70/72/1288557072.db2.gz RODLALRVJNVORD-FDYHWXHSSA-N 2 0 351.476 0.659 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001734731947 1288672133 /nfs/dbraw/zinc/67/21/33/1288672133.db2.gz TZFMBBTZVBBDPS-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001609228313 1289000989 /nfs/dbraw/zinc/00/09/89/1289000989.db2.gz LWSCUIMGMRJMIP-UHFFFAOYSA-N 2 0 370.465 0.027 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001735893965 1289001475 /nfs/dbraw/zinc/00/14/75/1289001475.db2.gz KIFZHITVQIJHNF-VQHPVUNQSA-N 2 0 370.538 0.501 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CCOC3CCC3)CC2)CC[N@@H+]1C ZINC001691933761 1289344983 /nfs/dbraw/zinc/34/49/83/1289344983.db2.gz QPNLWVDSARZDQJ-IEBWSBKVSA-N 2 0 366.550 0.972 20 0 FCADRP CC(C)CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961872 1289350653 /nfs/dbraw/zinc/35/06/53/1289350653.db2.gz RUYCCCVFWAPFCX-IXDOHACOSA-N 2 0 352.523 0.879 20 0 FCADRP CCO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001692052978 1289376388 /nfs/dbraw/zinc/37/63/88/1289376388.db2.gz RFYSEMCWNIAXHR-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001692080520 1289385445 /nfs/dbraw/zinc/38/54/45/1289385445.db2.gz GFOWTSOWCGEMPZ-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001692084026 1289391128 /nfs/dbraw/zinc/39/11/28/1289391128.db2.gz RPCQMFPWLZNUHD-RDBSUJKOSA-N 2 0 355.483 0.128 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]CC=CCl)cc(=O)[nH]2)CC[N@@H+]1C ZINC001692130937 1289401923 /nfs/dbraw/zinc/40/19/23/1289401923.db2.gz VSXUXKYLPBPTRD-VWRYTFAISA-N 2 0 353.854 0.981 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001692182581 1289419461 /nfs/dbraw/zinc/41/94/61/1289419461.db2.gz JOMYSACWZXSXLF-FGTMMUONSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCOCCOC ZINC001692182205 1289420112 /nfs/dbraw/zinc/42/01/12/1289420112.db2.gz AGLWKWGURXTOGS-OKZBNKHCSA-N 2 0 353.507 0.960 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236737 1289434259 /nfs/dbraw/zinc/43/42/59/1289434259.db2.gz NCWCPZOVDWYTHW-BPQIPLTHSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001692289472 1289445328 /nfs/dbraw/zinc/44/53/28/1289445328.db2.gz QPDSWRLPWPYTIZ-SJORKVTESA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1C ZINC001699261864 1289547796 /nfs/dbraw/zinc/54/77/96/1289547796.db2.gz SLKZYZZYKPURKS-HDNKPZPWSA-N 2 0 350.507 0.847 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001699258382 1289548074 /nfs/dbraw/zinc/54/80/74/1289548074.db2.gz CKSLOQIHWRYJCB-ZYOQUQOHSA-N 2 0 350.463 0.128 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001739117372 1289808732 /nfs/dbraw/zinc/80/87/32/1289808732.db2.gz RIVJSJJCVCLSKI-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC2CCN([C@H]3CCOC3=O)CC2)CC1 ZINC001623682026 1290230673 /nfs/dbraw/zinc/23/06/73/1290230673.db2.gz DFVJAGDPOVTTLM-KRWDZBQOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001753130705 1290620694 /nfs/dbraw/zinc/62/06/94/1290620694.db2.gz XXTMUBHFFOXLQQ-YESZJQIVSA-N 2 0 367.538 0.862 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754225943 1290626615 /nfs/dbraw/zinc/62/66/15/1290626615.db2.gz SGXIMJNKSJASHG-LERXQTSPSA-N 2 0 350.467 0.400 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001754864459 1290635893 /nfs/dbraw/zinc/63/58/93/1290635893.db2.gz BOJONYIPXMHOJD-VDHUWJSZSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1cc(C)n(CC[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001754882664 1290637009 /nfs/dbraw/zinc/63/70/09/1290637009.db2.gz NIDVRZFOJCFZFQ-IAGOWNOFSA-N 2 0 351.495 0.251 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@@H]2CCNC(=O)CC2)C2CC2)CC[N@@H+]1C ZINC001663722454 1291763487 /nfs/dbraw/zinc/76/34/87/1291763487.db2.gz KTPDKEQGHDQESL-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC001678233193 1292254272 /nfs/dbraw/zinc/25/42/72/1292254272.db2.gz MYIHPOXIESOZCN-MSOLQXFVSA-N 2 0 373.501 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001685082968 1292420632 /nfs/dbraw/zinc/42/06/32/1292420632.db2.gz OCXOQKJSPQGQPE-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001685620099 1292575008 /nfs/dbraw/zinc/57/50/08/1292575008.db2.gz USZYFSXVYVNSKF-KSZLIROESA-N 2 0 368.522 0.510 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001688614922 1294512820 /nfs/dbraw/zinc/51/28/20/1294512820.db2.gz JOYOUPIQZODFKR-ARFHVFGLSA-N 2 0 356.486 0.724 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001688979604 1294557460 /nfs/dbraw/zinc/55/74/60/1294557460.db2.gz COCDCSMJLDLWRH-ARFHVFGLSA-N 2 0 359.536 0.778 20 0 FCADRP CC(C)(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001689019480 1294568942 /nfs/dbraw/zinc/56/89/42/1294568942.db2.gz VXTMAAGUSGJENL-LSDHHAIUSA-N 2 0 363.510 0.898 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001689070872 1294593856 /nfs/dbraw/zinc/59/38/56/1294593856.db2.gz IIAKAQLFOZRQRG-OWCLPIDISA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231413 1294687756 /nfs/dbraw/zinc/68/77/56/1294687756.db2.gz DZXWVPKKUWDUDS-JQHSSLGASA-N 2 0 362.518 0.635 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)NCC1CC1 ZINC001689234920 1294694986 /nfs/dbraw/zinc/69/49/86/1294694986.db2.gz SUYUBNZIQUGECQ-SJORKVTESA-N 2 0 360.502 0.389 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236420 1294696981 /nfs/dbraw/zinc/69/69/81/1294696981.db2.gz DILHUWGNFLKLNZ-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001690338402 1294865499 /nfs/dbraw/zinc/86/54/99/1294865499.db2.gz VEHXOINFQGVRDE-YIYPIFLZSA-N 2 0 367.494 0.188 20 0 FCADRP [NH3+]Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740762 720821241 /nfs/dbraw/zinc/82/12/41/720821241.db2.gz LFFARPWMSNMCMM-RYQLBKOJSA-N 2 0 368.489 0.906 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164766404 721074475 /nfs/dbraw/zinc/07/44/75/721074475.db2.gz KETJVTAKDSZUGX-IAGOWNOFSA-N 2 0 367.501 0.857 20 0 FCADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164865667 721086550 /nfs/dbraw/zinc/08/65/50/721086550.db2.gz OEXURPXZQDQZQV-IAGOWNOFSA-N 2 0 352.442 0.955 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933313 721880989 /nfs/dbraw/zinc/88/09/89/721880989.db2.gz LXIWIKHJQJIXLN-SJORKVTESA-N 2 0 360.506 0.822 20 0 FCADRP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070367170 837650126 /nfs/dbraw/zinc/65/01/26/837650126.db2.gz IBKWRVKMOZOWRK-NUJGCVRESA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001070805784 837681417 /nfs/dbraw/zinc/68/14/17/837681417.db2.gz NYZVRMBBJMHFJK-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC[N@@H+]1C ZINC001071081269 837728025 /nfs/dbraw/zinc/72/80/25/837728025.db2.gz TZYLXZVKPRJZCI-OWLYRPNTSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001071082824 837729049 /nfs/dbraw/zinc/72/90/49/837729049.db2.gz QVYZAMOXNCEPHW-OLMNPRSZSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001099307718 844016110 /nfs/dbraw/zinc/01/61/10/844016110.db2.gz LDYPTIUKPNKXBA-UPJWGTAASA-N 2 0 362.400 0.597 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)cn1 ZINC001099320860 844020967 /nfs/dbraw/zinc/02/09/67/844020967.db2.gz XJEDFXLYUHZYNI-CHWSQXEVSA-N 2 0 363.384 0.030 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001099341599 844033600 /nfs/dbraw/zinc/03/36/00/844033600.db2.gz KLDYMUKKKLAYKF-BFHYXJOUSA-N 2 0 359.396 0.814 20 0 FCADRP C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382760899 836050822 /nfs/dbraw/zinc/05/08/22/836050822.db2.gz WYRAADODAAPUNQ-INIZCTEOSA-N 2 0 352.504 0.733 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101257482 844122539 /nfs/dbraw/zinc/12/25/39/844122539.db2.gz WMRQRVDNTVCFSI-VKJFTORMSA-N 2 0 356.486 0.535 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267400 844126656 /nfs/dbraw/zinc/12/66/56/844126656.db2.gz CDIIBTCFPFLJJP-AYBZRNKSSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCCC1 ZINC000746371941 836177069 /nfs/dbraw/zinc/17/70/69/836177069.db2.gz LOSQDFUZOJDKCQ-CQSZACIVSA-N 2 0 350.467 0.374 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341204 844151592 /nfs/dbraw/zinc/15/15/92/844151592.db2.gz APDJGHWNBJMEOM-RKVPGOIHSA-N 2 0 350.507 0.585 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382350 844166732 /nfs/dbraw/zinc/16/67/32/844166732.db2.gz CIWJLOPNJWPJEM-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@]2(C)C1 ZINC001101432235 844184100 /nfs/dbraw/zinc/18/41/00/844184100.db2.gz IIBMARKUNUQELW-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@]2(C)C1 ZINC001101432411 844185301 /nfs/dbraw/zinc/18/53/01/844185301.db2.gz QTVWNZJXOKBDMW-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101437820 844186832 /nfs/dbraw/zinc/18/68/32/844186832.db2.gz QQLONGSLSDRGTQ-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443664 844187516 /nfs/dbraw/zinc/18/75/16/844187516.db2.gz NMNOYNCFJUBZQZ-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460418 844193417 /nfs/dbraw/zinc/19/34/17/844193417.db2.gz DUXXJOUDOCDQRZ-MDZRGWNJSA-N 2 0 350.507 0.585 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461536 844193032 /nfs/dbraw/zinc/19/30/32/844193032.db2.gz HPCILPRHPICPKE-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460668 844193148 /nfs/dbraw/zinc/19/31/48/844193148.db2.gz QXFMCRGMSJTDKD-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464304 844194835 /nfs/dbraw/zinc/19/48/35/844194835.db2.gz BLDSDRUQOCPORK-FCEWJHQRSA-N 2 0 350.507 0.907 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478436 844202078 /nfs/dbraw/zinc/20/20/78/844202078.db2.gz NTYYGIVBBLOLGG-NUJGCVRESA-N 2 0 371.547 0.542 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065409608 836838136 /nfs/dbraw/zinc/83/81/36/836838136.db2.gz LVNTZSSYPYTQDR-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001076751312 838084550 /nfs/dbraw/zinc/08/45/50/838084550.db2.gz ICNNSCHGNFKJBQ-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974890 844356566 /nfs/dbraw/zinc/35/65/66/844356566.db2.gz VKSLHSLRDLMROC-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982709 844361238 /nfs/dbraw/zinc/36/12/38/844361238.db2.gz FDSNOBOKJAWVBM-MUIFIZLQSA-N 2 0 350.507 0.537 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102013324 844373726 /nfs/dbraw/zinc/37/37/26/844373726.db2.gz VORUFGXTYFDPOV-BZUAXINKSA-N 2 0 354.474 0.642 20 0 FCADRP CC(C)(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418455 838957971 /nfs/dbraw/zinc/95/79/71/838957971.db2.gz OXUPGZGWHMSIKX-HQWNSDKXSA-N 2 0 351.491 0.447 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045946 844393865 /nfs/dbraw/zinc/39/38/65/844393865.db2.gz DHSAQBAFWWCJEC-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777305 839151366 /nfs/dbraw/zinc/15/13/66/839151366.db2.gz GXRABASQGGPDIR-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102090847 844409052 /nfs/dbraw/zinc/40/90/52/844409052.db2.gz HEKRRRJAJGADMN-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102101195 844415105 /nfs/dbraw/zinc/41/51/05/844415105.db2.gz RCYAMAPMTAQVAU-HUUCEWRRSA-N 2 0 361.552 0.836 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013244 839294037 /nfs/dbraw/zinc/29/40/37/839294037.db2.gz YCXQQIFDSBNKBF-IXDOHACOSA-N 2 0 351.491 0.185 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2O)o1 ZINC001078261831 839433212 /nfs/dbraw/zinc/43/32/12/839433212.db2.gz HVVVNXOZUXLOEG-FVQBIDKESA-N 2 0 353.463 0.931 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189950 844439976 /nfs/dbraw/zinc/43/99/76/844439976.db2.gz KBFQGTAIJLEKMI-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190501 844440046 /nfs/dbraw/zinc/44/00/46/844440046.db2.gz ASLJIRWSRFKCPQ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227287 839494704 /nfs/dbraw/zinc/49/47/04/839494704.db2.gz LWQDVPOTKVLLNE-YESZJQIVSA-N 2 0 351.491 0.666 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001079717402 839579611 /nfs/dbraw/zinc/57/96/11/839579611.db2.gz GZSHWYLKFVSKIA-HLLBOEOZSA-N 2 0 351.495 0.920 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001079717401 839580193 /nfs/dbraw/zinc/58/01/93/839580193.db2.gz GZSHWYLKFVSKIA-BFYDXBDKSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102295296 844460053 /nfs/dbraw/zinc/46/00/53/844460053.db2.gz CIKMCGMRBXRKMO-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080448845 839727498 /nfs/dbraw/zinc/72/74/98/839727498.db2.gz DLYYDOBNOALBAZ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319038 844466233 /nfs/dbraw/zinc/46/62/33/844466233.db2.gz WFSQXMWWAOSYAQ-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320561 844466312 /nfs/dbraw/zinc/46/63/12/844466312.db2.gz IJKAQXDLKNCJKX-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319060 844466364 /nfs/dbraw/zinc/46/63/64/844466364.db2.gz XCWPWTUUBMUOJI-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375455 844480846 /nfs/dbraw/zinc/48/08/46/844480846.db2.gz KMYCSYIXORMIIJ-HUUCEWRRSA-N 2 0 350.511 0.977 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102381795 844481752 /nfs/dbraw/zinc/48/17/52/844481752.db2.gz CBIGWXUAOACNQK-OAGGEKHMSA-N 2 0 361.552 0.836 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001102380836 844482447 /nfs/dbraw/zinc/48/24/47/844482447.db2.gz ZAGPHOIBPWTHPA-OIISXLGYSA-N 2 0 356.511 0.163 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081693975 840002904 /nfs/dbraw/zinc/00/29/04/840002904.db2.gz BBDMGXLVCBPKCS-VDHUWJSZSA-N 2 0 353.507 0.959 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434072 844497536 /nfs/dbraw/zinc/49/75/36/844497536.db2.gz NFYTZBFTCCFEOC-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475504 844516394 /nfs/dbraw/zinc/51/63/94/844516394.db2.gz REDVTSHFMBKZKC-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479774 844519358 /nfs/dbraw/zinc/51/93/58/844519358.db2.gz HLOJWIXHPAANOS-ZACQAIPSSA-N 2 0 350.507 0.681 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493895 844528620 /nfs/dbraw/zinc/52/86/20/844528620.db2.gz NPRYJAHLUXEPIE-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082450129 840416085 /nfs/dbraw/zinc/41/60/85/840416085.db2.gz YNLNLGHYJFTLMK-YUELXQCFSA-N 2 0 369.487 0.714 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082450104 840416747 /nfs/dbraw/zinc/41/67/47/840416747.db2.gz XJMSMQIFQAJUNH-BPLDGKMQSA-N 2 0 352.504 0.749 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082557496 840463779 /nfs/dbraw/zinc/46/37/79/840463779.db2.gz JBOOOSPOHLGGBI-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1=O ZINC001082557579 840465280 /nfs/dbraw/zinc/46/52/80/840465280.db2.gz QARTVQCPNRPJGZ-OWCLPIDISA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001082592114 840478848 /nfs/dbraw/zinc/47/88/48/840478848.db2.gz NXYORUHVOYXULG-RBSFLKMASA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082719673 840535270 /nfs/dbraw/zinc/53/52/70/840535270.db2.gz BTHFLUGQELKTMC-IJEWVQPXSA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520886 844550388 /nfs/dbraw/zinc/55/03/88/844550388.db2.gz GKABHWUTYOEDHW-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082828905 840577451 /nfs/dbraw/zinc/57/74/51/840577451.db2.gz PWEQVEFEGOIXFF-CRAIPNDOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082919914 840602118 /nfs/dbraw/zinc/60/21/18/840602118.db2.gz KBSFMAIBGSZZJW-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001082921561 840603538 /nfs/dbraw/zinc/60/35/38/840603538.db2.gz URHKIZZCRFOYTP-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579323 844574354 /nfs/dbraw/zinc/57/43/54/844574354.db2.gz RZDXRLJWKWDQRP-KZNAEPCWSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583167 844577585 /nfs/dbraw/zinc/57/75/85/844577585.db2.gz ZYMCECDNFGAZPD-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601767 844592091 /nfs/dbraw/zinc/59/20/91/844592091.db2.gz OZLYBJQRIPNJLK-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600816 844592369 /nfs/dbraw/zinc/59/23/69/844592369.db2.gz WTIPXWNYARJWHX-BRWVUGGUSA-N 2 0 359.511 0.035 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612602 844600995 /nfs/dbraw/zinc/60/09/95/844600995.db2.gz OWNSUWADCRROHI-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CSc1ncc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001275795520 861193846 /nfs/dbraw/zinc/19/38/46/861193846.db2.gz GJTLHSPGJGONCR-QGZVFWFLSA-N 2 0 364.519 0.767 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083908779 841556797 /nfs/dbraw/zinc/55/67/97/841556797.db2.gz WOZQXZVLFOHEBZ-KSZLIROESA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937157 841581442 /nfs/dbraw/zinc/58/14/42/841581442.db2.gz OZIPQXZNBOUONV-NXHRZFHOSA-N 2 0 351.491 0.306 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937156 841582196 /nfs/dbraw/zinc/58/21/96/841582196.db2.gz OZIPQXZNBOUONV-JQHSSLGASA-N 2 0 351.491 0.306 20 0 FCADRP COC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450794 841797594 /nfs/dbraw/zinc/79/75/94/841797594.db2.gz ZLRCNQMVKJQEKA-GVDBMIGSSA-N 2 0 353.507 0.912 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879209 861244053 /nfs/dbraw/zinc/24/40/53/861244053.db2.gz OUKZEMLSFMIVDC-AEFFLSMTSA-N 2 0 371.547 0.687 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1)[NH+](C)C ZINC001084970428 841973254 /nfs/dbraw/zinc/97/32/54/841973254.db2.gz FSNYMRJSUAVYDX-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085152666 842027983 /nfs/dbraw/zinc/02/79/83/842027983.db2.gz MXNDRLJFHPBTRG-KFWWJZLASA-N 2 0 350.463 0.247 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001085606419 842109414 /nfs/dbraw/zinc/10/94/14/842109414.db2.gz MJPZNLYCXAKSHJ-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090475 842119248 /nfs/dbraw/zinc/11/92/48/842119248.db2.gz AYABSCZETKNQBD-DGXTUMSLSA-N 2 0 357.520 0.246 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090512 842119539 /nfs/dbraw/zinc/11/95/39/842119539.db2.gz CHYDVPVEZDGIGI-OVYGPGRDSA-N 2 0 371.547 0.636 20 0 FCADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086088932 842119600 /nfs/dbraw/zinc/11/96/00/842119600.db2.gz YNFDYMRORRMBGA-YGTYDBBMSA-N 2 0 353.507 0.599 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086370856 842128564 /nfs/dbraw/zinc/12/85/64/842128564.db2.gz CBQDLOPGCKXGPF-QUSNUVHPSA-N 2 0 371.547 0.636 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086733889 842161929 /nfs/dbraw/zinc/16/19/29/842161929.db2.gz IYEILWZEWFUPLB-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087063082 842259142 /nfs/dbraw/zinc/25/91/42/842259142.db2.gz HWQHVVCMVGEOGX-VNQPRFMTSA-N 2 0 351.451 0.507 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087062575 842259821 /nfs/dbraw/zinc/25/98/21/842259821.db2.gz MNBJOZGAMFJDCU-RBSFLKMASA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083750 842276291 /nfs/dbraw/zinc/27/62/91/842276291.db2.gz QUWLORZOYWCATG-IIAWOOMASA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087096347 842287169 /nfs/dbraw/zinc/28/71/69/842287169.db2.gz JLLCIZIIYAAPCM-ZMSDIMECSA-N 2 0 350.463 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087100908 842289121 /nfs/dbraw/zinc/28/91/21/842289121.db2.gz KPBPULWNQDDULB-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087100398 842290315 /nfs/dbraw/zinc/29/03/15/842290315.db2.gz RDLRUKDHMMVPPO-BZUAXINKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087101561 842291306 /nfs/dbraw/zinc/29/13/06/842291306.db2.gz QESKNNMCOWZXLI-HUUCEWRRSA-N 2 0 367.519 0.895 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087523368 842344205 /nfs/dbraw/zinc/34/42/05/842344205.db2.gz TZPCWMIPXHEAAG-RRFJBIMHSA-N 2 0 350.463 0.199 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087711423 842411903 /nfs/dbraw/zinc/41/19/03/842411903.db2.gz CRFHNFFAHSRVOL-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087726511 842416089 /nfs/dbraw/zinc/41/60/89/842416089.db2.gz IUWKNALJLGFCKZ-HRCADAONSA-N 2 0 351.495 0.323 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992318 842493256 /nfs/dbraw/zinc/49/32/56/842493256.db2.gz PBUGKBAPCURBNC-IKGGRYGDSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090868 842529396 /nfs/dbraw/zinc/52/93/96/842529396.db2.gz JRXNHNUFWQGQHE-UAGQMJEPSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150846 842545181 /nfs/dbraw/zinc/54/51/81/842545181.db2.gz ZHFYDJIYZNMTHQ-IXDOHACOSA-N 2 0 350.507 0.763 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211967 842562401 /nfs/dbraw/zinc/56/24/01/842562401.db2.gz IIPLVONKUXKJIS-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574485 842617075 /nfs/dbraw/zinc/61/70/75/842617075.db2.gz YITWDSQHEYPZGH-BGTYHANMSA-N 2 0 353.507 0.959 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088860379 842698197 /nfs/dbraw/zinc/69/81/97/842698197.db2.gz IWRUEGGMGNCINC-CABCVRRESA-N 2 0 351.495 0.323 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001091735753 843085121 /nfs/dbraw/zinc/08/51/21/843085121.db2.gz WNBSVAQRGWFZPG-SUMDDJOVSA-N 2 0 351.491 0.402 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736857 843086267 /nfs/dbraw/zinc/08/62/67/843086267.db2.gz GFCQOMMOUGAGQG-MDZRGWNJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091783927 843093204 /nfs/dbraw/zinc/09/32/04/843093204.db2.gz KTAIZGNAGDFBAN-FCEWJHQRSA-N 2 0 353.507 0.506 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133475 843397003 /nfs/dbraw/zinc/39/70/03/843397003.db2.gz HGWWKNXNSNNCCF-OWCLPIDISA-N 2 0 369.531 0.201 20 0 FCADRP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195621 843405271 /nfs/dbraw/zinc/40/52/71/843405271.db2.gz SEDVHSCGWTYUKR-VNQPRFMTSA-N 2 0 366.531 0.854 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001094137846 843521833 /nfs/dbraw/zinc/52/18/33/843521833.db2.gz ZGUIPUCWKWHKDU-BRWVUGGUSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094220942 843532738 /nfs/dbraw/zinc/53/27/38/843532738.db2.gz GFNAQLZHAMMWOY-BZUAXINKSA-N 2 0 357.520 0.201 20 0 FCADRP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215787 843854357 /nfs/dbraw/zinc/85/43/57/843854357.db2.gz DTCMBLISESLOCF-ZJPYXAASSA-N 2 0 351.491 0.998 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781000 844646738 /nfs/dbraw/zinc/64/67/38/844646738.db2.gz ZEAOWXUVLSHMCJ-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003458 844682855 /nfs/dbraw/zinc/68/28/55/844682855.db2.gz RCDDCHWTYRXGJM-QBPKDAKJSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001103085317 844697287 /nfs/dbraw/zinc/69/72/87/844697287.db2.gz PRQMLRWBECPRMF-NUJGCVRESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083619 844697428 /nfs/dbraw/zinc/69/74/28/844697428.db2.gz AIGVVTBGRKWFFO-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174723 844716372 /nfs/dbraw/zinc/71/63/72/844716372.db2.gz ZNDXKJIKPZGPPE-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396802 844750883 /nfs/dbraw/zinc/75/08/83/844750883.db2.gz KATHQQPLNFFUKT-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+](C)C ZINC001103407871 844751970 /nfs/dbraw/zinc/75/19/70/844751970.db2.gz YFJWPZWFANWKLC-IIDMSEBBSA-N 2 0 352.523 0.925 20 0 FCADRP C[NH+](C)CCCN1CC[C@@]2(C1)CN(C[C@@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609117 861495795 /nfs/dbraw/zinc/49/57/95/861495795.db2.gz HDKLEUAJMXSXLL-CRAIPNDOSA-N 2 0 355.479 0.393 20 0 FCADRP C[NH+](C)CCC[NH+]1CCC2(CCN(CCN3CCOCC3)C2=O)CC1 ZINC001276610295 861497708 /nfs/dbraw/zinc/49/77/08/861497708.db2.gz OSYDNGAOZAEDOK-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719193 844807656 /nfs/dbraw/zinc/80/76/56/844807656.db2.gz UNFMMQDARIDYOE-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC[NH2+]CCCO ZINC001104209699 844877365 /nfs/dbraw/zinc/87/73/65/844877365.db2.gz NNYZRDFLEWOYNI-HZPDHXFCSA-N 2 0 351.495 0.515 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(C2)CN(CC(F)F)C(=O)CO3)CC1 ZINC001276636003 861507475 /nfs/dbraw/zinc/50/74/75/861507475.db2.gz GDFWMPJCDRLFGD-QGZVFWFLSA-N 2 0 360.449 0.192 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104291800 844891557 /nfs/dbraw/zinc/89/15/57/844891557.db2.gz VSMWENHYVVDCSO-DDUZABMNSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104291801 844891609 /nfs/dbraw/zinc/89/16/09/844891609.db2.gz VSMWENHYVVDCSO-SIIHOXLZSA-N 2 0 350.507 0.679 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449699 844912738 /nfs/dbraw/zinc/91/27/38/844912738.db2.gz BGZWGFPIDRIJAF-QGPMSJSTSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104588650 844922950 /nfs/dbraw/zinc/92/29/50/844922950.db2.gz KBVIOZKFOYCPTK-VSZNYVQBSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001104622163 844926870 /nfs/dbraw/zinc/92/68/70/844926870.db2.gz RJRJUGQVNKQCSG-HUUCEWRRSA-N 2 0 354.474 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104622466 844927747 /nfs/dbraw/zinc/92/77/47/844927747.db2.gz YPRYLWUGLFRADE-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1)[NH+]1CCCC1 ZINC001104694593 844933898 /nfs/dbraw/zinc/93/38/98/844933898.db2.gz YMTHDEUXDHMDNZ-FGTMMUONSA-N 2 0 355.523 0.944 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104872409 844954184 /nfs/dbraw/zinc/95/41/84/844954184.db2.gz GJDXVUZIOLGGIL-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCn1cccn1 ZINC001104908314 844958810 /nfs/dbraw/zinc/95/88/10/844958810.db2.gz RFHVJKIJYQMPBX-IAGOWNOFSA-N 2 0 351.495 0.536 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nccn1C ZINC001104908482 844958953 /nfs/dbraw/zinc/95/89/53/844958953.db2.gz YPWFLKLAWGQCFK-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001105064220 844977048 /nfs/dbraw/zinc/97/70/48/844977048.db2.gz CZRBFSIYYMMIAA-RBSFLKMASA-N 2 0 351.499 0.686 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105668054 845015131 /nfs/dbraw/zinc/01/51/31/845015131.db2.gz WATKUGZHYUQQTB-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941850 845063746 /nfs/dbraw/zinc/06/37/46/845063746.db2.gz NJFDONYHOLNJCT-FVQBIDKESA-N 2 0 366.531 0.997 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106210697 845135682 /nfs/dbraw/zinc/13/56/82/845135682.db2.gz AMFAXUXHBNBXQI-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106248539 845143030 /nfs/dbraw/zinc/14/30/30/845143030.db2.gz SMHKFOYHAFMJTG-IXDOHACOSA-N 2 0 352.523 0.737 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106249786 845143081 /nfs/dbraw/zinc/14/30/81/845143081.db2.gz PWFOVAFYWDFPJO-UNEWFSDZSA-N 2 0 352.523 0.925 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1)[NH+](C)C ZINC001106313273 845152545 /nfs/dbraw/zinc/15/25/45/845152545.db2.gz VFJZAHWCSCIQAZ-DJIMGWMZSA-N 2 0 356.511 0.163 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1)[NH+](C)C ZINC001106312609 845152655 /nfs/dbraw/zinc/15/26/55/845152655.db2.gz KPAULBYYPYRYTJ-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106336521 845159295 /nfs/dbraw/zinc/15/92/95/845159295.db2.gz SBCTUVYMFFLYRZ-HUUCEWRRSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106626572 845208502 /nfs/dbraw/zinc/20/85/02/845208502.db2.gz GXRNCEDBOAHTGT-VXGBXAGGSA-N 2 0 354.480 0.112 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666254 845218615 /nfs/dbraw/zinc/21/86/15/845218615.db2.gz IBYUPSFNLOPKSH-GVDBMIGSSA-N 2 0 352.523 0.879 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666923 845220041 /nfs/dbraw/zinc/22/00/41/845220041.db2.gz ZZUCJEQASJFOOG-GVDBMIGSSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106668888 845220726 /nfs/dbraw/zinc/22/07/26/845220726.db2.gz RKOLNFZFKTWHET-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106784347 845251950 /nfs/dbraw/zinc/25/19/50/845251950.db2.gz HWGYNRANBSESPQ-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106785053 845252059 /nfs/dbraw/zinc/25/20/59/845252059.db2.gz VDIQTFJDKBXBRU-HUUCEWRRSA-N 2 0 351.499 0.609 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106783157 845252146 /nfs/dbraw/zinc/25/21/46/845252146.db2.gz IXDAJKAIDVTPIT-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106840099 845265657 /nfs/dbraw/zinc/26/56/57/845265657.db2.gz XYCRERDYAZBXHT-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCC(=O)OC(C)(C)C)C2)OCC1=O ZINC001276708266 861549807 /nfs/dbraw/zinc/54/98/07/861549807.db2.gz JJXULPXDZMFKLN-SFHVURJKSA-N 2 0 355.479 0.583 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874833 845276429 /nfs/dbraw/zinc/27/64/29/845276429.db2.gz UZBXISFNTBNJRT-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)sn1 ZINC001106878616 845277370 /nfs/dbraw/zinc/27/73/70/845277370.db2.gz UQWQIIFYPXZOJE-ZIAGYGMSSA-N 2 0 370.519 0.914 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCO[C@@H]1CC1(F)F ZINC001106881203 845278681 /nfs/dbraw/zinc/27/86/81/845278681.db2.gz YWWLAJVMTNCPMN-RBSFLKMASA-N 2 0 363.449 0.673 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981282 845300030 /nfs/dbraw/zinc/30/00/30/845300030.db2.gz HZENOOMZCHQPLC-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984462 845301068 /nfs/dbraw/zinc/30/10/68/845301068.db2.gz OZVCBDBFNYUKRW-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984123 845301097 /nfs/dbraw/zinc/30/10/97/845301097.db2.gz ZATWETXGZPAWLI-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106983896 845301158 /nfs/dbraw/zinc/30/11/58/845301158.db2.gz OPCRKDSLMORKID-KZNAEPCWSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106998604 845306893 /nfs/dbraw/zinc/30/68/93/845306893.db2.gz DFKPLNQOOMUWIQ-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001107030784 845312271 /nfs/dbraw/zinc/31/22/71/845312271.db2.gz WNHAOAZEYNJZPO-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001107039780 845316595 /nfs/dbraw/zinc/31/65/95/845316595.db2.gz YQSKLOWNVAYVIU-ZIAGYGMSSA-N 2 0 352.483 0.660 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040639 845316704 /nfs/dbraw/zinc/31/67/04/845316704.db2.gz KPILJJTZQLCHBG-NVXWUHKLSA-N 2 0 356.511 0.163 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)[NH+]1CCCC1 ZINC001107037650 845316859 /nfs/dbraw/zinc/31/68/59/845316859.db2.gz ZWQIYCBKGUONPB-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042336 845317089 /nfs/dbraw/zinc/31/70/89/845317089.db2.gz IAIOHYWYARNEEE-HZPDHXFCSA-N 2 0 361.552 0.836 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1C ZINC001107039006 845317121 /nfs/dbraw/zinc/31/71/21/845317121.db2.gz KYJIHGNUOPQEDD-HUUCEWRRSA-N 2 0 350.511 0.902 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042661 845318272 /nfs/dbraw/zinc/31/82/72/845318272.db2.gz XBGRHOVUDZYWBR-BRWVUGGUSA-N 2 0 359.511 0.035 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329521 845353412 /nfs/dbraw/zinc/35/34/12/845353412.db2.gz YCRLNMAERQWKIZ-FRQCXROJSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2 ZINC001107533932 845393005 /nfs/dbraw/zinc/39/30/05/845393005.db2.gz NSCLJSPLPFJITA-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N(C)C)CC2 ZINC001107546879 845394812 /nfs/dbraw/zinc/39/48/12/845394812.db2.gz RZAALWBTCURDEZ-FRQCXROJSA-N 2 0 350.507 0.920 20 0 FCADRP CCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546208 845502247 /nfs/dbraw/zinc/50/22/47/845502247.db2.gz QRNZXHNCIZXWBB-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCOC2)CC1 ZINC001109898888 845755756 /nfs/dbraw/zinc/75/57/56/845755756.db2.gz HSDZPYYKAAEQBK-MVJTYMMSSA-N 2 0 351.491 0.855 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001110017716 845777778 /nfs/dbraw/zinc/77/77/78/845777778.db2.gz KDODTYSSAQYIDF-NCOADZHNSA-N 2 0 357.495 0.074 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110661394 845943273 /nfs/dbraw/zinc/94/32/73/845943273.db2.gz QUSRIIMTGUQOHK-TVFCKZIOSA-N 2 0 353.507 0.980 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001111036943 846020533 /nfs/dbraw/zinc/02/05/33/846020533.db2.gz BAZVKFKNSIKDAC-NCOADZHNSA-N 2 0 354.495 0.201 20 0 FCADRP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276825504 861634487 /nfs/dbraw/zinc/63/44/87/861634487.db2.gz UNKNJISFGHWWLE-MAUKXSAKSA-N 2 0 350.463 0.593 20 0 FCADRP CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276852278 861654060 /nfs/dbraw/zinc/65/40/60/861654060.db2.gz PJGWFQKCBQANOL-IEBWSBKVSA-N 2 0 352.523 0.726 20 0 FCADRP CC(C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276848883 861652631 /nfs/dbraw/zinc/65/26/31/861652631.db2.gz LCTZWAPCVYVCLU-IBGZPJMESA-N 2 0 352.523 0.583 20 0 FCADRP CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276852279 861654299 /nfs/dbraw/zinc/65/42/99/861654299.db2.gz PJGWFQKCBQANOL-MJGOQNOKSA-N 2 0 352.523 0.726 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111857860 846234101 /nfs/dbraw/zinc/23/41/01/846234101.db2.gz BXPVHZFGYOZNSF-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001111862465 846235490 /nfs/dbraw/zinc/23/54/90/846235490.db2.gz OFURCOCKLQEQJE-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111871926 846240520 /nfs/dbraw/zinc/24/05/20/846240520.db2.gz RXAVXSBKVHLLPM-LPHOPBHVSA-N 2 0 353.507 0.698 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891200 846249612 /nfs/dbraw/zinc/24/96/12/846249612.db2.gz IXOBWELWUYPPCR-LNLFQRSKSA-N 2 0 353.507 0.696 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](CC)CC)C2)C1=O ZINC001111910304 846257349 /nfs/dbraw/zinc/25/73/49/846257349.db2.gz SVAKSBYXUROOIT-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111925708 846260758 /nfs/dbraw/zinc/26/07/58/846260758.db2.gz GXEDUSQZJUHHLF-VCBZYWHSSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCCC1=O)C2 ZINC001112004496 846290020 /nfs/dbraw/zinc/29/00/20/846290020.db2.gz GIUWQYMCHIASGQ-LPHOPBHVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112154636 846422234 /nfs/dbraw/zinc/42/22/34/846422234.db2.gz VPFXPYKRBLWGDE-GRYCIOLGSA-N 2 0 364.412 0.571 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157988 846424213 /nfs/dbraw/zinc/42/42/13/846424213.db2.gz NJXIWWQBKHESFA-MGPQQGTHSA-N 2 0 367.412 0.314 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112166238 846429575 /nfs/dbraw/zinc/42/95/75/846429575.db2.gz KVTKDDBGMJTXTF-BFHYXJOUSA-N 2 0 367.412 0.316 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1)[NH+](C)C ZINC001112167612 846430984 /nfs/dbraw/zinc/43/09/84/846430984.db2.gz VFSVIRUOXLWCBP-MCIONIFRSA-N 2 0 369.428 0.969 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112190208 846448887 /nfs/dbraw/zinc/44/88/87/846448887.db2.gz PXMQTHXPYMHXCT-IJLUTSLNSA-N 2 0 352.401 0.571 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112196416 846455250 /nfs/dbraw/zinc/45/52/50/846455250.db2.gz IJOYLTDJBWZFPZ-ZIAGYGMSSA-N 2 0 369.428 0.706 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112285047 846487652 /nfs/dbraw/zinc/48/76/52/846487652.db2.gz JZGPAYNOCWSQLS-UXLLHSPISA-N 2 0 357.520 0.344 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276913471 861683680 /nfs/dbraw/zinc/68/36/80/861683680.db2.gz CSSOZMNZKYMUDO-GOSISDBHSA-N 2 0 352.479 0.258 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112380778 846498911 /nfs/dbraw/zinc/49/89/11/846498911.db2.gz YUNDLUDNRGIEHN-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401790 846501798 /nfs/dbraw/zinc/50/17/98/846501798.db2.gz YGWJOKSTKPLFGG-VCBZYWHSSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518465 846512453 /nfs/dbraw/zinc/51/24/53/846512453.db2.gz KKGXZRPVFRUHNO-DOXZYTNZSA-N 2 0 350.507 0.681 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529472 846516398 /nfs/dbraw/zinc/51/63/98/846516398.db2.gz AQZRGRCIRRLIRF-GJYPPUQNSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958798 861703627 /nfs/dbraw/zinc/70/36/27/861703627.db2.gz APYUCGOELTTXLQ-IEBWSBKVSA-N 2 0 352.523 0.462 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276960957 861708835 /nfs/dbraw/zinc/70/88/35/861708835.db2.gz XFUOEJBXMMZEAE-QGZVFWFLSA-N 2 0 352.523 0.319 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117091421 846884491 /nfs/dbraw/zinc/88/44/91/846884491.db2.gz FPKIPWAODOQKKJ-HZPDHXFCSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001117356482 846978914 /nfs/dbraw/zinc/97/89/14/846978914.db2.gz LUNJJIXDXJXDCB-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001119310320 847808067 /nfs/dbraw/zinc/80/80/67/847808067.db2.gz YKWXOELVGGPDOU-PBHICJAKSA-N 2 0 352.479 0.086 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001119352876 847819765 /nfs/dbraw/zinc/81/97/65/847819765.db2.gz FYIQYJQWXGFZFS-GJZGRUSLSA-N 2 0 368.547 0.802 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001120589558 848248687 /nfs/dbraw/zinc/24/86/87/848248687.db2.gz POQLCBLABXITEU-MAUKXSAKSA-N 2 0 369.531 0.739 20 0 FCADRP C[C@@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127644068 848730297 /nfs/dbraw/zinc/73/02/97/848730297.db2.gz SYZBTIXVAOFMNF-JJRVBVJISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001127659543 848731584 /nfs/dbraw/zinc/73/15/84/848731584.db2.gz FFBZDJRLVWXPSG-IAQYHMDHSA-N 2 0 354.401 0.949 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001127701667 848732243 /nfs/dbraw/zinc/73/22/43/848732243.db2.gz USDZEVRNICCNIY-FRRDWIJNSA-N 2 0 355.401 0.362 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nc(C)cs2)CC[N@@H+]1C ZINC001127695688 848733003 /nfs/dbraw/zinc/73/30/03/848733003.db2.gz SYSBNUFMJFJHAY-QWHCGFSZSA-N 2 0 353.492 0.826 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127705347 848733493 /nfs/dbraw/zinc/73/34/93/848733493.db2.gz ARGKSSSAYABAED-GRYCIOLGSA-N 2 0 352.401 0.490 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCc2ccco2)CC[N@@H+]1C ZINC001127707265 848734037 /nfs/dbraw/zinc/73/40/37/848734037.db2.gz XPNKUSHVFQPWPM-VNQPRFMTSA-N 2 0 350.463 0.720 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071894 848802694 /nfs/dbraw/zinc/80/26/94/848802694.db2.gz OWPKEZMJAUCCRX-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1)OC ZINC001129337714 848832507 /nfs/dbraw/zinc/83/25/07/848832507.db2.gz VMAVQVLOECJCJX-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369556 848835546 /nfs/dbraw/zinc/83/55/46/848835546.db2.gz ABXDTJAXEYLXSM-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393486 848838854 /nfs/dbraw/zinc/83/88/54/848838854.db2.gz MFISWUVMYFQWDA-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884044 848907973 /nfs/dbraw/zinc/90/79/73/848907973.db2.gz IAERAYMFPZIHOK-PMPSAXMXSA-N 2 0 352.458 0.854 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129891959 848908914 /nfs/dbraw/zinc/90/89/14/848908914.db2.gz ALRFQKHLPYDSHT-QTZUMHMESA-N 2 0 352.870 0.712 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894904 848909578 /nfs/dbraw/zinc/90/95/78/848909578.db2.gz XITKASJZIUDBAI-ZNMIVQPWSA-N 2 0 352.458 0.852 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)C(C)C ZINC001130057099 848937199 /nfs/dbraw/zinc/93/71/99/848937199.db2.gz IUGQYWYOSNNKGM-OWCLPIDISA-N 2 0 354.474 0.956 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091204 848943502 /nfs/dbraw/zinc/94/35/02/848943502.db2.gz FWMBPJOQJUIOLQ-KFWWJZLASA-N 2 0 350.442 0.464 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001130622154 849020994 /nfs/dbraw/zinc/02/09/94/849020994.db2.gz TXTGNTZFWYQLGL-OFQRWUPVSA-N 2 0 351.495 0.415 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCO)c1 ZINC001130671942 849026280 /nfs/dbraw/zinc/02/62/80/849026280.db2.gz DIJBQUDORZQZRP-GOEBONIOSA-N 2 0 351.495 0.274 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130717885 849028762 /nfs/dbraw/zinc/02/87/62/849028762.db2.gz XMZYOQSXHKGDNW-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130805177 849045809 /nfs/dbraw/zinc/04/58/09/849045809.db2.gz WOEVETCKTMXKGZ-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130815872 849048510 /nfs/dbraw/zinc/04/85/10/849048510.db2.gz DHKJABQQMZAFDO-HZSPNIEDSA-N 2 0 350.467 0.592 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130820376 849049270 /nfs/dbraw/zinc/04/92/70/849049270.db2.gz VFVZIACHZQBUEL-UONOGXRCSA-N 2 0 352.483 0.979 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCCF ZINC001131108376 849079391 /nfs/dbraw/zinc/07/93/91/849079391.db2.gz RRMHNTVNXGRWNG-HUUCEWRRSA-N 2 0 355.458 0.242 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131110713 849080440 /nfs/dbraw/zinc/08/04/40/849080440.db2.gz WBXXRZVVZLPQMA-BZUAXINKSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131110712 849080707 /nfs/dbraw/zinc/08/07/07/849080707.db2.gz WBXXRZVVZLPQMA-ARFHVFGLSA-N 2 0 351.495 0.417 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316564 849095246 /nfs/dbraw/zinc/09/52/46/849095246.db2.gz NEYOREKYZOXPQV-XHSDSOJGSA-N 2 0 352.479 0.844 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131596975 849128725 /nfs/dbraw/zinc/12/87/25/849128725.db2.gz DTSLHQZMNDCLHW-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP COC(=O)CCn1nc(C)c(CN(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC001139786212 849349374 /nfs/dbraw/zinc/34/93/74/849349374.db2.gz GOENPEQSOFDIHC-UHFFFAOYSA-N 2 0 353.511 0.988 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001141196728 849385856 /nfs/dbraw/zinc/38/58/56/849385856.db2.gz KVFAADYCTLNYDO-KFWWJZLASA-N 2 0 354.495 0.994 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583219 849586039 /nfs/dbraw/zinc/58/60/39/849586039.db2.gz OILJPAVLMMHOLU-OAGGEKHMSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583815 849586573 /nfs/dbraw/zinc/58/65/73/849586573.db2.gz WUWOVZKVXDCZQE-HZPDHXFCSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC001151536643 849689817 /nfs/dbraw/zinc/68/98/17/849689817.db2.gz RAUIJEMOQJZQCK-HUUCEWRRSA-N 2 0 362.540 0.033 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C(=O)N1CCCC1 ZINC001157371840 849968232 /nfs/dbraw/zinc/96/82/32/849968232.db2.gz ZXVGWNWYJBYKTE-UPJWGTAASA-N 2 0 364.412 0.621 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716152 849988102 /nfs/dbraw/zinc/98/81/02/849988102.db2.gz LKRHKEMBHCBBKU-HZPDHXFCSA-N 2 0 352.504 0.531 20 0 FCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001157741239 849991049 /nfs/dbraw/zinc/99/10/49/849991049.db2.gz UXKFZEGYCRLSPH-XJKSGUPXSA-N 2 0 361.483 0.080 20 0 FCADRP CNS(=O)(=O)c1cccnc1N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001157841371 849999556 /nfs/dbraw/zinc/99/95/56/849999556.db2.gz DOKSGTVCCTWMEJ-UHFFFAOYSA-N 2 0 367.519 0.454 20 0 FCADRP COC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157922344 850004877 /nfs/dbraw/zinc/00/48/77/850004877.db2.gz LWXVSDSMRPGCQI-PMPSAXMXSA-N 2 0 354.495 0.461 20 0 FCADRP O=C(N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157923547 850004909 /nfs/dbraw/zinc/00/49/09/850004909.db2.gz FFCHDQXHZVXSQX-HBJVGIJOSA-N 2 0 353.360 0.439 20 0 FCADRP CN(Cc1ncccc1C(F)(F)F)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157989250 850010281 /nfs/dbraw/zinc/01/02/81/850010281.db2.gz NUHUVLBLVLAMCL-ZDUSSCGKSA-N 2 0 359.396 0.809 20 0 FCADRP O=C(c1csc([C@@H]2CCC[NH2+]2)n1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120257 850020152 /nfs/dbraw/zinc/02/01/52/850020152.db2.gz MPKKZJYCZSTRCR-GTNSWQLSSA-N 2 0 361.471 0.119 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169723 850020696 /nfs/dbraw/zinc/02/06/96/850020696.db2.gz SHLJFFLUFYXFID-AWEZNQCLSA-N 2 0 355.504 0.145 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001158380662 850042826 /nfs/dbraw/zinc/04/28/26/850042826.db2.gz SVFFFGMVFJAVBQ-GDBMZVCRSA-N 2 0 350.463 0.674 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[C@H]([NH3+])C1CC1)C2 ZINC001158383025 850043926 /nfs/dbraw/zinc/04/39/26/850043926.db2.gz NPHJKXIPJIJSCY-NILFDRSVSA-N 2 0 363.380 0.657 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1CC(C[NH3+])C1)C2 ZINC001158384352 850044447 /nfs/dbraw/zinc/04/44/47/850044447.db2.gz VKCPSZYASDKQPL-RLNQVHQUSA-N 2 0 363.380 0.515 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C(C)(C)[NH2+]C)C2 ZINC001158384369 850044593 /nfs/dbraw/zinc/04/45/93/850044593.db2.gz VTSFSQOAOKONRZ-KBPBESRZSA-N 2 0 351.369 0.528 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001158403277 850046807 /nfs/dbraw/zinc/04/68/07/850046807.db2.gz CHLLTUYKGJTSIS-UONOGXRCSA-N 2 0 351.499 0.754 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001158412642 850048461 /nfs/dbraw/zinc/04/84/61/850048461.db2.gz SLZNKQYVVPABBJ-RWMBFGLXSA-N 2 0 366.428 0.880 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158423105 850048519 /nfs/dbraw/zinc/04/85/19/850048519.db2.gz NEEUZGCZBNZYPY-OWCLPIDISA-N 2 0 362.499 0.326 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158420880 850048557 /nfs/dbraw/zinc/04/85/57/850048557.db2.gz ACHNWVAYPVZNMJ-AICCOOGYSA-N 2 0 356.536 0.561 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2CC(F)(F)F)CC[N@@H+]1C ZINC001158428710 850048568 /nfs/dbraw/zinc/04/85/68/850048568.db2.gz PRADRXGRTKYZBH-GHMZBOCLSA-N 2 0 363.388 0.172 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422296 850049302 /nfs/dbraw/zinc/04/93/02/850049302.db2.gz JVLMLRDBNBEYLI-RFQIPJPRSA-N 2 0 374.576 0.268 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001158638207 850063205 /nfs/dbraw/zinc/06/32/05/850063205.db2.gz RYJPCBYSZUBQIO-LRDDRELGSA-N 2 0 351.838 0.507 20 0 FCADRP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158960150 850087008 /nfs/dbraw/zinc/08/70/08/850087008.db2.gz WLAZJTAAFFDILF-ZDUSSCGKSA-N 2 0 351.451 0.496 20 0 FCADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968501 850088476 /nfs/dbraw/zinc/08/84/76/850088476.db2.gz RGZDJQUHVLPYDA-UHFFFAOYSA-N 2 0 372.535 0.074 20 0 FCADRP Nc1ncn(C=C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397250 850110902 /nfs/dbraw/zinc/11/09/02/850110902.db2.gz QBWLHBQDKPLWQZ-OLZOCXBDSA-N 2 0 352.870 0.214 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]2C1 ZINC001159637499 850125461 /nfs/dbraw/zinc/12/54/61/850125461.db2.gz YFAVKCNKOUBQFH-IXDOHACOSA-N 3 0 356.511 0.029 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834662 850140147 /nfs/dbraw/zinc/14/01/47/850140147.db2.gz WFYDWUSVLOLVDT-RFBLXINOSA-N 2 0 361.515 0.516 20 0 FCADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857084 850141145 /nfs/dbraw/zinc/14/11/45/850141145.db2.gz VXWDTYFIJPUAFZ-WBVHZDCISA-N 2 0 350.438 0.428 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001159999772 850149438 /nfs/dbraw/zinc/14/94/38/850149438.db2.gz SUDGLKAAHGIYDG-PMPSAXMXSA-N 2 0 374.551 0.364 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160387789 850169905 /nfs/dbraw/zinc/16/99/05/850169905.db2.gz DAKVCFKTUKSTCQ-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490507 850176277 /nfs/dbraw/zinc/17/62/77/850176277.db2.gz ACXBYMQKGMQDCF-WMZOPIPTSA-N 2 0 350.507 0.384 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)C1CC[NH2+]CC1 ZINC001160505449 850177794 /nfs/dbraw/zinc/17/77/94/850177794.db2.gz DVVSKSPITHERES-OAHLLOKOSA-N 2 0 353.854 0.827 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001160652421 850188634 /nfs/dbraw/zinc/18/86/34/850188634.db2.gz DIHGBBSRGFCWLN-LXTVHRRPSA-N 2 0 357.376 0.929 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160669421 850191320 /nfs/dbraw/zinc/19/13/20/850191320.db2.gz DJTJDSBZHKLENG-MRXNPFEDSA-N 3 0 350.507 0.574 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001160672932 850191361 /nfs/dbraw/zinc/19/13/61/850191361.db2.gz LTRLIEHZRABWQC-HOCLYGCPSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160718702 850194483 /nfs/dbraw/zinc/19/44/83/850194483.db2.gz RJQYKPVESXWQAQ-AWEZNQCLSA-N 2 0 352.479 0.527 20 0 FCADRP CCOC(=O)c1coc2c1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160760748 850197723 /nfs/dbraw/zinc/19/77/23/850197723.db2.gz QNNWUCUXFPKFBJ-CQSZACIVSA-N 2 0 350.419 0.049 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]3CC[NH2+]C[C@H]3F)C[C@H]1C2 ZINC001160795268 850198230 /nfs/dbraw/zinc/19/82/30/850198230.db2.gz VXJSKRJLUPUBLR-RWLZTCESSA-N 2 0 353.438 0.181 20 0 FCADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160823016 850200284 /nfs/dbraw/zinc/20/02/84/850200284.db2.gz BTQMOQBTVIWPKV-DZGCQCFKSA-N 2 0 351.451 0.458 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061974 850226488 /nfs/dbraw/zinc/22/64/88/850226488.db2.gz IOTIMYAPOJLWBF-SDDRHHMPSA-N 2 0 352.401 0.891 20 0 FCADRP N[C@]1(C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161152737 850234159 /nfs/dbraw/zinc/23/41/59/850234159.db2.gz SSAONGYDJCFTQG-CQSZACIVSA-N 2 0 358.368 0.271 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001161176558 850236956 /nfs/dbraw/zinc/23/69/56/850236956.db2.gz VUWQOFVGILFJOO-SJORKVTESA-N 2 0 352.523 0.366 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245712 850242759 /nfs/dbraw/zinc/24/27/59/850242759.db2.gz FNKNASYYJLNJHQ-DCGLDWPTSA-N 2 0 358.458 0.019 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C2CCOCC2)CC1 ZINC001161315906 850250199 /nfs/dbraw/zinc/25/01/99/850250199.db2.gz FELGMFWAIFRGTF-YKTARERQSA-N 3 0 350.507 0.463 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)C2CC[NH2+]CC2)n1 ZINC001161308748 850250489 /nfs/dbraw/zinc/25/04/89/850250489.db2.gz GOZYEKZSCGUHNI-KBPBESRZSA-N 2 0 351.426 0.826 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@H]3CO[C@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378248 850256200 /nfs/dbraw/zinc/25/62/00/850256200.db2.gz KYUZIQBGHBUSMN-SUMDDJOVSA-N 2 0 350.507 0.559 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414661 850258764 /nfs/dbraw/zinc/25/87/64/850258764.db2.gz YIPPTFMLMGZFCW-KKOKHZNYSA-N 2 0 350.385 0.358 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])Cc1cccs1)CC2 ZINC001161481059 850262738 /nfs/dbraw/zinc/26/27/38/850262738.db2.gz WETZLSIBJXQGBX-DXCKQFNASA-N 2 0 351.472 0.762 20 0 FCADRP C[N@H+](C1CN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)C1)[C@H]1CCOC1 ZINC001161497551 850265042 /nfs/dbraw/zinc/26/50/42/850265042.db2.gz AUMPLNKLFQXFOT-KBPBESRZSA-N 2 0 355.479 0.757 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161498708 850265434 /nfs/dbraw/zinc/26/54/34/850265434.db2.gz CBKNGCWVOLPEKO-VHSXEESVSA-N 2 0 360.277 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](CCCO)CC2)CC[N@@H+]1C ZINC001162275341 850305237 /nfs/dbraw/zinc/30/52/37/850305237.db2.gz MELHGPUJNLMQGL-DLBZAZTESA-N 2 0 355.523 0.944 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001162732743 850328628 /nfs/dbraw/zinc/32/86/28/850328628.db2.gz HUAXAAHUYLUXPD-LSDHHAIUSA-N 2 0 351.451 0.760 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834961 862123494 /nfs/dbraw/zinc/12/34/94/862123494.db2.gz KBIGVAOFTMSMKN-WMZOPIPTSA-N 2 0 350.463 0.802 20 0 FCADRP C[C@H]1CC[C@H](C[NH3+])N(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164061950 850392270 /nfs/dbraw/zinc/39/22/70/850392270.db2.gz ICNUAMVBRFVBGG-NWDGAFQWSA-N 2 0 353.492 0.132 20 0 FCADRP N=C(Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)SCC[NH3+] ZINC001167916567 850563880 /nfs/dbraw/zinc/56/38/80/850563880.db2.gz SUNXREJNNXOHHC-UHFFFAOYSA-N 2 0 357.505 0.755 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001168380198 850585374 /nfs/dbraw/zinc/58/53/74/850585374.db2.gz QBOINIZBNLRMHK-SJORKVTESA-N 2 0 370.563 0.921 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ncn3c1C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169131733 850606605 /nfs/dbraw/zinc/60/66/05/850606605.db2.gz YJDLRPJFWLBFHE-QDMKHBRRSA-N 2 0 367.519 0.763 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCC[NH3+] ZINC001169170279 850608904 /nfs/dbraw/zinc/60/89/04/850608904.db2.gz UBQJUACGUOKXCE-ZDUSSCGKSA-N 2 0 350.467 0.321 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)N(O)N=O ZINC001169742716 850634061 /nfs/dbraw/zinc/63/40/61/850634061.db2.gz ANHUVXCYJYOCGO-OAHLLOKOSA-N 2 0 350.423 0.429 20 0 FCADRP C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861329 850667963 /nfs/dbraw/zinc/66/79/63/850667963.db2.gz CNQVRWVSOOQETI-ARFHVFGLSA-N 2 0 353.511 0.616 20 0 FCADRP NC(=O)[C@H]1CCCN1C(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001170897862 850669705 /nfs/dbraw/zinc/66/97/05/850669705.db2.gz PKQMDWXAFPEDJH-NEPJUHHUSA-N 2 0 354.842 0.261 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172007734 850701273 /nfs/dbraw/zinc/70/12/73/850701273.db2.gz VYIRYJKPZRHUAB-INIZCTEOSA-N 2 0 357.495 0.518 20 0 FCADRP C[C@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1C(=O)OC(C)(C)C ZINC001173056751 850718029 /nfs/dbraw/zinc/71/80/29/850718029.db2.gz BMRJWPJUUWFZJD-STQMWFEESA-N 2 0 360.459 0.912 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC001177338382 850840076 /nfs/dbraw/zinc/84/00/76/850840076.db2.gz QWYBRPSUFVUNCR-LLVKDONJSA-N 2 0 352.464 0.560 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC001180799060 851068217 /nfs/dbraw/zinc/06/82/17/851068217.db2.gz BJJSJISFYNJKCU-UHFFFAOYSA-N 2 0 359.352 0.896 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C[C@H](O)COC)C2)CC[N@@H+]1C ZINC001181516865 851116608 /nfs/dbraw/zinc/11/66/08/851116608.db2.gz BBWYHCKSYAFXIS-DIKXUDHVSA-N 2 0 355.523 0.798 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC=CO2)C[C@]2(CCCC(=O)N2)C1 ZINC001278141254 862210744 /nfs/dbraw/zinc/21/07/44/862210744.db2.gz UVULKNXYEJUMFP-HKUYNNGSSA-N 2 0 350.507 0.897 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C2)CC[N@@H+]1C ZINC001182683710 851191328 /nfs/dbraw/zinc/19/13/28/851191328.db2.gz DHQIVWHLHQFHKF-JHJVBQTASA-N 2 0 364.412 0.538 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)c3nccs3)C2)CC[N@@H+]1C ZINC001182684647 851191861 /nfs/dbraw/zinc/19/18/61/851191861.db2.gz TZFHJIPHKASFSH-MGPQQGTHSA-N 2 0 365.503 0.637 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692065 851192961 /nfs/dbraw/zinc/19/29/61/851192961.db2.gz ATIAOZCCQCABHW-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001183379722 851245394 /nfs/dbraw/zinc/24/53/94/851245394.db2.gz PBGFYIASOUMNCP-WOVMCDHWSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186372868 851429259 /nfs/dbraw/zinc/42/92/59/851429259.db2.gz FEAQDQQUIXEKOM-BRWVUGGUSA-N 2 0 353.507 0.554 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(CC(=O)NC(C)C)C[C@H]21 ZINC001188107151 851645783 /nfs/dbraw/zinc/64/57/83/851645783.db2.gz IGNDNECYBQVYPC-ARFHVFGLSA-N 2 0 356.486 0.724 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CC(=O)N3CCCCC3)C[C@H]21 ZINC001188956074 851737929 /nfs/dbraw/zinc/73/79/29/851737929.db2.gz GFEKNTVYJBQEQU-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188957817 851738426 /nfs/dbraw/zinc/73/84/26/851738426.db2.gz WUOLSXIHURPZML-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CN(CC1CC1)C(=O)CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956797 851738447 /nfs/dbraw/zinc/73/84/47/851738447.db2.gz NIOYTWCNWMEHQD-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001189055515 851745840 /nfs/dbraw/zinc/74/58/40/851745840.db2.gz XSXDIBFLHFXXKT-BFHYXJOUSA-N 2 0 367.412 0.411 20 0 FCADRP COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc(OC)n1 ZINC001189089384 851749927 /nfs/dbraw/zinc/74/99/27/851749927.db2.gz BXKVDDTVYIYSFC-UHFFFAOYSA-N 2 0 353.467 0.839 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159944 851761339 /nfs/dbraw/zinc/76/13/39/851761339.db2.gz QXBODPZZYZVGKR-ARFHVFGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001189312914 851778230 /nfs/dbraw/zinc/77/82/30/851778230.db2.gz YVXSDOUIWUCYGE-FGTMMUONSA-N 2 0 353.507 0.793 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189907232 851840584 /nfs/dbraw/zinc/84/05/84/851840584.db2.gz ZIYRLPKMTCUKAI-JKSUJKDBSA-N 2 0 353.511 0.569 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189922992 851843355 /nfs/dbraw/zinc/84/33/55/851843355.db2.gz IKITVBBXLJDPGM-RCCFBDPRSA-N 2 0 355.523 0.894 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001190237346 851881333 /nfs/dbraw/zinc/88/13/33/851881333.db2.gz AJMQFRGVXYFTOQ-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001190247161 851883424 /nfs/dbraw/zinc/88/34/24/851883424.db2.gz LXGQVDYLKGWXNV-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371713 851900278 /nfs/dbraw/zinc/90/02/78/851900278.db2.gz YNVVIKXQTNMCNT-DLBZAZTESA-N 2 0 354.495 0.012 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726452 852477203 /nfs/dbraw/zinc/47/72/03/852477203.db2.gz CKNOYGKVYWKABM-RCCFBDPRSA-N 2 0 355.523 0.942 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001193901554 852504012 /nfs/dbraw/zinc/50/40/12/852504012.db2.gz GPNWNPXVNBEKEZ-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001193930426 852510364 /nfs/dbraw/zinc/51/03/64/852510364.db2.gz UXTPRRLNTJZCNQ-MCIONIFRSA-N 2 0 369.428 0.703 20 0 FCADRP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832815 852658695 /nfs/dbraw/zinc/65/86/95/852658695.db2.gz TYYOPBHLPDXLTJ-CBYDULDESA-N 2 0 351.491 0.591 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982861 852686660 /nfs/dbraw/zinc/68/66/60/852686660.db2.gz SHEGOMFUWBIPOH-BRWVUGGUSA-N 2 0 355.523 0.821 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184626 852906583 /nfs/dbraw/zinc/90/65/83/852906583.db2.gz AHTREFFHHZJBKQ-BRWVUGGUSA-N 2 0 353.507 0.695 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184627 852906810 /nfs/dbraw/zinc/90/68/10/852906810.db2.gz AHTREFFHHZJBKQ-ZACQAIPSSA-N 2 0 353.507 0.695 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222620 852920481 /nfs/dbraw/zinc/92/04/81/852920481.db2.gz VFRVSYLRARWKTR-BZUAXINKSA-N 2 0 355.523 0.941 20 0 FCADRP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)s1 ZINC001197792165 853163058 /nfs/dbraw/zinc/16/30/58/853163058.db2.gz LATZYKFGPVKWGE-HZPDHXFCSA-N 2 0 355.504 0.604 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001197950267 853191123 /nfs/dbraw/zinc/19/11/23/853191123.db2.gz YDHDJDYPXWEXGF-IAGOWNOFSA-N 2 0 351.495 0.339 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O ZINC001198688011 853301275 /nfs/dbraw/zinc/30/12/75/853301275.db2.gz DCASXSZBOWMOAL-CGTJXYLNSA-N 2 0 351.491 0.616 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199057267 853361585 /nfs/dbraw/zinc/36/15/85/853361585.db2.gz FUNKJSLFLUDCRK-KZNAEPCWSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001199370012 853413284 /nfs/dbraw/zinc/41/32/84/853413284.db2.gz GXUMJDQEFPTIMN-RCCFBDPRSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001199370120 853413462 /nfs/dbraw/zinc/41/34/62/853413462.db2.gz LGPOJQHNSLUEJB-KZNAEPCWSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001199370225 853414895 /nfs/dbraw/zinc/41/48/95/853414895.db2.gz PJZUJXKYYYRTFY-QZTJIDSGSA-N 2 0 353.507 0.983 20 0 FCADRP CC[NH+](CC)CCN1CCN(C(=S)NCCCN2CCOCC2)CC1 ZINC001199935305 853463772 /nfs/dbraw/zinc/46/37/72/853463772.db2.gz YIXFLZPJKDCMHL-UHFFFAOYSA-N 2 0 371.595 0.543 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCCN1CCOCC1 ZINC001200124445 853483413 /nfs/dbraw/zinc/48/34/13/853483413.db2.gz LELPKXVQASGIOS-UHFFFAOYSA-N 2 0 359.584 0.399 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001205334821 853603650 /nfs/dbraw/zinc/60/36/50/853603650.db2.gz RLRSNNWLCDGMIL-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2C[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205357771 853605748 /nfs/dbraw/zinc/60/57/48/853605748.db2.gz GIGDWWUUGRNRIK-GDBMZVCRSA-N 2 0 351.495 0.207 20 0 FCADRP COC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510990 853618088 /nfs/dbraw/zinc/61/80/88/853618088.db2.gz ROVDEWCVZUUGLZ-YESZJQIVSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205507574 853618212 /nfs/dbraw/zinc/61/82/12/853618212.db2.gz DXCZVMGDZWWKGO-IXDOHACOSA-N 2 0 353.507 0.648 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205508246 853618330 /nfs/dbraw/zinc/61/83/30/853618330.db2.gz VYUCKCLKYHJYKR-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP CCOCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205511002 853618337 /nfs/dbraw/zinc/61/83/37/853618337.db2.gz SCIHOKYMWWVRTL-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1 ZINC001205674242 853625893 /nfs/dbraw/zinc/62/58/93/853625893.db2.gz GGZGXOUSLWXDQB-DOTOQJQBSA-N 2 0 353.438 0.280 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796546 /nfs/dbraw/zinc/79/65/46/853796546.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 2 0 354.539 0.685 20 0 FCADRP O=C([C@@H]1C[C@@]2(CO1)CCC[N@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437408 853812763 /nfs/dbraw/zinc/81/27/63/853812763.db2.gz WJXSZGQBASXLGQ-HKUYNNGSSA-N 2 0 351.491 0.716 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207466151 853817364 /nfs/dbraw/zinc/81/73/64/853817364.db2.gz SPECCOXXIRGVRH-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207602200 853828505 /nfs/dbraw/zinc/82/85/05/853828505.db2.gz OJYGXBRMPBLWHC-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001207698305 853843364 /nfs/dbraw/zinc/84/33/64/853843364.db2.gz XWQBPMDBSBEQCU-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)CC[C@@H]2C1 ZINC001207927536 853875361 /nfs/dbraw/zinc/87/53/61/853875361.db2.gz XPFUEQKIHUUUFT-OWCLPIDISA-N 2 0 355.479 0.249 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001208070103 853890709 /nfs/dbraw/zinc/89/07/09/853890709.db2.gz DCBYXJIXXHWYJP-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001208070084 853890745 /nfs/dbraw/zinc/89/07/45/853890745.db2.gz CPKYLCMYZXXCIN-FRRDWIJNSA-N 2 0 366.491 0.397 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435241 853934195 /nfs/dbraw/zinc/93/41/95/853934195.db2.gz YCVLLNVOMQJKGC-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435226 853934219 /nfs/dbraw/zinc/93/42/19/853934219.db2.gz XRKRUPMJMYYLSN-HUUCEWRRSA-N 2 0 353.511 0.472 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)C1 ZINC001208614755 853960337 /nfs/dbraw/zinc/96/03/37/853960337.db2.gz UKNZTLRSLSFTMM-INIZCTEOSA-N 2 0 359.536 0.702 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001208610962 853960713 /nfs/dbraw/zinc/96/07/13/853960713.db2.gz SLGOTNRQUYLVSO-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960049 853984909 /nfs/dbraw/zinc/98/49/09/853984909.db2.gz WJJUJWCSJBTMNX-GUDVDZBRSA-N 2 0 353.507 0.914 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001211046208 854150607 /nfs/dbraw/zinc/15/06/07/854150607.db2.gz JWPQUPAGWHPICH-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371038 854183257 /nfs/dbraw/zinc/18/32/57/854183257.db2.gz IXASISSXSINKES-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293581 854430242 /nfs/dbraw/zinc/43/02/42/854430242.db2.gz YEOSUVCOQOEPLR-KZNAEPCWSA-N 2 0 353.507 0.959 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293511 854430621 /nfs/dbraw/zinc/43/06/21/854430621.db2.gz UIKVLIFGPHECSF-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495289 854500528 /nfs/dbraw/zinc/50/05/28/854500528.db2.gz BHIACQAXMAGZOY-IAGOWNOFSA-N 2 0 350.463 0.760 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213369332 854590019 /nfs/dbraw/zinc/59/00/19/854590019.db2.gz OKVSWAFNHNLCRR-KZNAEPCWSA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC)[NH+](CC)CC ZINC001213435026 854614863 /nfs/dbraw/zinc/61/48/63/854614863.db2.gz QCWMHJBYAOMSBW-IXDOHACOSA-N 2 0 359.511 0.585 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446920 854620684 /nfs/dbraw/zinc/62/06/84/854620684.db2.gz ZUZCQADIUGVTQG-HZPDHXFCSA-N 2 0 351.495 0.676 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1OC)[NH+](C)C ZINC001213457728 854625444 /nfs/dbraw/zinc/62/54/44/854625444.db2.gz BURHRDOYXWYQEC-QLFBSQMISA-N 2 0 357.886 0.692 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214344033 854928349 /nfs/dbraw/zinc/92/83/49/854928349.db2.gz MORIUDMTXQTCQA-UTUOFQBUSA-N 2 0 352.464 0.007 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646302 854985539 /nfs/dbraw/zinc/98/55/39/854985539.db2.gz PBIXHDLBSNPGDH-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214645894 854985815 /nfs/dbraw/zinc/98/58/15/854985815.db2.gz IPMIMMFVNPEILE-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655216 854986588 /nfs/dbraw/zinc/98/65/88/854986588.db2.gz DQTAGOHSMKXEFB-BFYDXBDKSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCO ZINC001214653973 854987114 /nfs/dbraw/zinc/98/71/14/854987114.db2.gz NMEAFBQLSWRZES-DDBAPUKQSA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664082 854988002 /nfs/dbraw/zinc/98/80/02/854988002.db2.gz KGVUVWQDNYTXIT-QBPKDAKJSA-N 2 0 373.563 0.976 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214755221 855002882 /nfs/dbraw/zinc/00/28/82/855002882.db2.gz WLPCWOCVKOQEBB-TZMCWYRMSA-N 2 0 352.504 0.996 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214755091 855002893 /nfs/dbraw/zinc/00/28/93/855002893.db2.gz RDQCRGIPPQPWHB-FVQBIDKESA-N 2 0 356.486 0.629 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214847949 855022042 /nfs/dbraw/zinc/02/20/42/855022042.db2.gz ZYBOCJCNMRGIFW-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214889079 855028962 /nfs/dbraw/zinc/02/89/62/855028962.db2.gz GYWSYJJJAWIAKO-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1)[NH+](C)C ZINC001214952995 855038839 /nfs/dbraw/zinc/03/88/39/855038839.db2.gz VXEUPQGNNFGPHM-JHJVBQTASA-N 2 0 366.428 0.784 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)CS(C)(=O)=O ZINC001215413564 855112247 /nfs/dbraw/zinc/11/22/47/855112247.db2.gz ICHMLWFXAFYJLE-RRFJBIMHSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001215423339 855112772 /nfs/dbraw/zinc/11/27/72/855112772.db2.gz HUEDGCQPJOBZDV-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)Nc1nccs1 ZINC001215460961 855118257 /nfs/dbraw/zinc/11/82/57/855118257.db2.gz LDFVDSVLVXFFSP-JHJVBQTASA-N 2 0 353.492 0.858 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001215463341 855118366 /nfs/dbraw/zinc/11/83/66/855118366.db2.gz SAMPQYPWNLAWQM-ZIAGYGMSSA-N 2 0 351.499 0.359 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536550 855126473 /nfs/dbraw/zinc/12/64/73/855126473.db2.gz RZBJAPQAIZMMBC-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001215540994 855127457 /nfs/dbraw/zinc/12/74/57/855127457.db2.gz UJDFWUYYKVDSTD-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215550693 855128286 /nfs/dbraw/zinc/12/82/86/855128286.db2.gz FBZHTHBKBXPQTH-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001215571267 855128881 /nfs/dbraw/zinc/12/88/81/855128881.db2.gz IADLDWPMNCVSEA-BMFZPTHFSA-N 2 0 354.495 0.058 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216053427 855166195 /nfs/dbraw/zinc/16/61/95/855166195.db2.gz MUNCTPHTTVVVAS-BFYDXBDKSA-N 2 0 350.507 0.822 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216217090 855180717 /nfs/dbraw/zinc/18/07/17/855180717.db2.gz HFNUXSLBDWMSST-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216217242 855180902 /nfs/dbraw/zinc/18/09/02/855180902.db2.gz MHBWELLWVIFUEB-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383806 855197026 /nfs/dbraw/zinc/19/70/26/855197026.db2.gz QFCDRSFLUXDDIW-OWCLPIDISA-N 2 0 353.511 0.472 20 0 FCADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001216401175 855199246 /nfs/dbraw/zinc/19/92/46/855199246.db2.gz HJPLKCBMTJCFHP-GDBMZVCRSA-N 2 0 350.463 0.605 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC001216400855 855199414 /nfs/dbraw/zinc/19/94/14/855199414.db2.gz AZVLNOUOLSXZGV-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216502494 855208543 /nfs/dbraw/zinc/20/85/43/855208543.db2.gz DRYQREXJMGYHHZ-VXGBXAGGSA-N 2 0 354.480 0.255 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216754450 855232822 /nfs/dbraw/zinc/23/28/22/855232822.db2.gz VMMOGKQZZWJUQQ-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216772563 855238364 /nfs/dbraw/zinc/23/83/64/855238364.db2.gz FUQDNPAJJRQHTD-HZPDHXFCSA-N 2 0 359.536 0.734 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001216828215 855251517 /nfs/dbraw/zinc/25/15/17/855251517.db2.gz BHMNVIYHGBFJAN-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216839339 855254429 /nfs/dbraw/zinc/25/44/29/855254429.db2.gz SWRFPSGSRWRNMB-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)[NH+]1CCCCC1 ZINC001216846750 855257893 /nfs/dbraw/zinc/25/78/93/855257893.db2.gz XBMKHWJKPJGMDZ-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)cc1=O ZINC001216851633 855259608 /nfs/dbraw/zinc/25/96/08/855259608.db2.gz DCWAWRSFGXSLLC-UKRRQHHQSA-N 2 0 351.447 0.925 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216852425 855260168 /nfs/dbraw/zinc/26/01/68/855260168.db2.gz ZDDJUVFIWZOWCQ-HUUCEWRRSA-N 2 0 355.527 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001216964696 855271379 /nfs/dbraw/zinc/27/13/79/855271379.db2.gz GXHGYDGVTINRQF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001216964695 855271552 /nfs/dbraw/zinc/27/15/52/855271552.db2.gz GXHGYDGVTINRQF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H](C)C1CC[NH2+]CC1 ZINC001218002860 855389867 /nfs/dbraw/zinc/38/98/67/855389867.db2.gz MJKQQHYJSDLYKE-SNVBAGLBSA-N 2 0 352.435 0.528 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218087126 855396469 /nfs/dbraw/zinc/39/64/69/855396469.db2.gz BWHSNVOQANRFQO-FGTMMUONSA-N 2 0 353.507 0.912 20 0 FCADRP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218108353 855397777 /nfs/dbraw/zinc/39/77/77/855397777.db2.gz CEGCXVSUJAKDBE-FGTMMUONSA-N 2 0 353.507 0.912 20 0 FCADRP CC[NH+]1CCC(Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c2=O)CC1 ZINC001218205962 855406241 /nfs/dbraw/zinc/40/62/41/855406241.db2.gz ZWLNRGMBMKFIEJ-UHFFFAOYSA-N 2 0 352.435 0.624 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]CC1(C)C ZINC001218313042 855413693 /nfs/dbraw/zinc/41/36/93/855413693.db2.gz XYUUATNBMKSQSM-JTQLQIEISA-N 2 0 352.435 0.528 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218446381 855426859 /nfs/dbraw/zinc/42/68/59/855426859.db2.gz ACLQRZLHTWINEO-MRVPVSSYSA-N 2 0 360.361 0.137 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218471280 855428221 /nfs/dbraw/zinc/42/82/21/855428221.db2.gz FYGNLXKFWWQFCJ-OUAUKWLOSA-N 2 0 350.419 0.138 20 0 FCADRP COC(=O)c1nc(Br)cnc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218524794 855434085 /nfs/dbraw/zinc/43/40/85/855434085.db2.gz OCISSALWSZMYSL-QMMMGPOBSA-N 2 0 374.239 0.811 20 0 FCADRP Cc1nc(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218524484 855434393 /nfs/dbraw/zinc/43/43/93/855434393.db2.gz LOIXSQATFLXZGI-RYUDHWBXSA-N 2 0 368.869 0.824 20 0 FCADRP O=C(Nc1ncnn2c(Br)ccc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218567434 855441771 /nfs/dbraw/zinc/44/17/71/855441771.db2.gz QMXIEQSMWQFKEH-YMTOWFKASA-N 2 0 365.235 0.051 20 0 FCADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ncc(C(F)(F)F)cc1N ZINC001218588471 855444630 /nfs/dbraw/zinc/44/46/30/855444630.db2.gz USQRWJNCCMCYFA-GFCCVEGCSA-N 2 0 360.384 0.396 20 0 FCADRP COC(=O)c1cnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(Cl)c1 ZINC001218595166 855446250 /nfs/dbraw/zinc/44/62/50/855446250.db2.gz HPMRRCXVBXEHRR-GFCCVEGCSA-N 2 0 355.826 0.211 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ncnc2[nH]cc(Br)c21)C1CC[NH2+]CC1 ZINC001218616450 855450751 /nfs/dbraw/zinc/45/07/51/855450751.db2.gz UMGDCYFFYBTROR-JTQLQIEISA-N 2 0 353.224 0.986 20 0 FCADRP Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1 ZINC001218740426 855473175 /nfs/dbraw/zinc/47/31/75/855473175.db2.gz KLILNWRRVVXLFW-NSHDSACASA-N 2 0 358.368 0.828 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@@H]([NH3+])CC[S@](C)=O)CC1 ZINC001218861306 855487707 /nfs/dbraw/zinc/48/77/07/855487707.db2.gz JGDMXXXZDYOUDG-RZFZLAGVSA-N 2 0 356.467 0.612 20 0 FCADRP COc1cc(Br)c(O)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218873913 855489577 /nfs/dbraw/zinc/48/95/77/855489577.db2.gz AZGNGEJECHUSSD-VIFPVBQESA-N 2 0 356.220 0.911 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049453 855525325 /nfs/dbraw/zinc/52/53/25/855525325.db2.gz NZJREAQDWOVUTP-OKZBNKHCSA-N 2 0 353.507 0.935 20 0 FCADRP CS(=O)(=O)c1cc(F)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1F ZINC001219446883 855673739 /nfs/dbraw/zinc/67/37/39/855673739.db2.gz ZILQWJTTXFUFGN-VIFPVBQESA-N 2 0 353.416 0.326 20 0 FCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219555539 855713283 /nfs/dbraw/zinc/71/32/83/855713283.db2.gz FFVGSFGECHYAIA-GJZGRUSLSA-N 2 0 356.511 0.578 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610466 855732542 /nfs/dbraw/zinc/73/25/42/855732542.db2.gz OFGHSDWLIDRMSA-WFASDCNBSA-N 2 0 359.348 0.858 20 0 FCADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634910 855746897 /nfs/dbraw/zinc/74/68/97/855746897.db2.gz KDNQDFOARNORNE-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001219649462 855754486 /nfs/dbraw/zinc/75/44/86/855754486.db2.gz JISZTHLTHBLQBF-UTUOFQBUSA-N 2 0 352.401 0.524 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001219649460 855755120 /nfs/dbraw/zinc/75/51/20/855755120.db2.gz JISZTHLTHBLQBF-SRVKXCTJSA-N 2 0 352.401 0.524 20 0 FCADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741457 855795308 /nfs/dbraw/zinc/79/53/08/855795308.db2.gz LKYHPUYEAFMCJZ-BXWFABGCSA-N 2 0 351.491 0.953 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219798409 855818409 /nfs/dbraw/zinc/81/84/09/855818409.db2.gz LHABYWPNQCWSTK-OLZOCXBDSA-N 2 0 367.412 0.601 20 0 FCADRP C[NH2+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834486 855837078 /nfs/dbraw/zinc/83/70/78/855837078.db2.gz QLQKWWGRAAQAGF-LLDVTBCESA-N 2 0 357.495 0.289 20 0 FCADRP Cn1cc(Br)cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1=O ZINC001219880824 855860142 /nfs/dbraw/zinc/86/01/42/855860142.db2.gz KYHVGBQKXLBIDY-YMTOWFKASA-N 2 0 355.236 0.285 20 0 FCADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001219916223 855877598 /nfs/dbraw/zinc/87/75/98/855877598.db2.gz OEMLSBFDECVWFD-UKRRQHHQSA-N 2 0 352.504 0.430 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]([NH3+])CC[S@](C)=O)c2)CC1 ZINC001219961185 855896972 /nfs/dbraw/zinc/89/69/72/855896972.db2.gz ISHYLJFERJVGTM-FYSMJZIKSA-N 2 0 352.504 0.151 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034608 855928578 /nfs/dbraw/zinc/92/85/78/855928578.db2.gz WTARIEISJXOMLI-PLQZLIEUSA-N 2 0 355.454 0.151 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)CNC2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039715 855929743 /nfs/dbraw/zinc/92/97/43/855929743.db2.gz PSPCEQAVRITHDT-UHFFFAOYSA-N 2 0 354.495 0.426 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062271 855940688 /nfs/dbraw/zinc/94/06/88/855940688.db2.gz SOWMCYMOWJIRPY-CVEARBPZSA-N 2 0 371.547 0.782 20 0 FCADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220161220 855988599 /nfs/dbraw/zinc/98/85/99/855988599.db2.gz AMNKZTYFNKFFSQ-BFYDXBDKSA-N 2 0 369.531 0.439 20 0 FCADRP CC1(C)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001220218682 856016643 /nfs/dbraw/zinc/01/66/43/856016643.db2.gz BNEFSJPQOQEYJH-ILXRZTDVSA-N 2 0 354.495 0.508 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220253786 856031182 /nfs/dbraw/zinc/03/11/82/856031182.db2.gz DBJFZGIUABHHIC-RYUDHWBXSA-N 2 0 352.401 0.763 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001220273653 856039000 /nfs/dbraw/zinc/03/90/00/856039000.db2.gz QQJHQFMTFBZOIM-SJORKVTESA-N 2 0 353.438 0.708 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(F)cc2c1OCOC2 ZINC001220294330 856049524 /nfs/dbraw/zinc/04/95/24/856049524.db2.gz QAGOVMYSRAELDT-OAHLLOKOSA-N 2 0 352.410 0.059 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)CC[NH+](C)CC1 ZINC001220346051 856077856 /nfs/dbraw/zinc/07/78/56/856077856.db2.gz XICRIXUJXJFQQM-KGLIPLIRSA-N 2 0 355.479 0.676 20 0 FCADRP COc1ccccc1C1(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])CCOCC1 ZINC001220447345 856129719 /nfs/dbraw/zinc/12/97/19/856129719.db2.gz IQUFPBFKPVWBKU-HNNXBMFYSA-N 2 0 367.515 0.879 20 0 FCADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501764 856156246 /nfs/dbraw/zinc/15/62/46/856156246.db2.gz UDDUJHOGRXILQB-HUUCEWRRSA-N 2 0 351.472 0.217 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)S(=O)(=O)c1ccccc1 ZINC001220536219 856171221 /nfs/dbraw/zinc/17/12/21/856171221.db2.gz ZASKGTJNCSEUJC-CPUCHLNUSA-N 2 0 366.487 0.163 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@@H](N)CCCC[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535618 856171261 /nfs/dbraw/zinc/17/12/61/856171261.db2.gz HGCYVUGANGOMTH-AWEZNQCLSA-N 2 0 356.492 0.398 20 0 FCADRP C[C@]1(C(=O)N[C@H](C[NH3+])c2ccc(Br)cc2)CC[NH2+]C[C@@H]1O ZINC001220608866 856204133 /nfs/dbraw/zinc/20/41/33/856204133.db2.gz ZHMPEUUIVXOENP-IPYPFGDCSA-N 2 0 356.264 0.926 20 0 FCADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC001220611523 856205663 /nfs/dbraw/zinc/20/56/63/856205663.db2.gz XKAKUDVEQISHHV-QWHCGFSZSA-N 2 0 369.263 0.433 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609611 856205986 /nfs/dbraw/zinc/20/59/86/856205986.db2.gz CFXLNSQZRTXTSP-BFHYXJOUSA-N 2 0 370.247 0.716 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220806922 856310674 /nfs/dbraw/zinc/31/06/74/856310674.db2.gz MKPIOGUZIKTTFK-KURKYZTESA-N 2 0 355.523 0.821 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871249 856350921 /nfs/dbraw/zinc/35/09/21/856350921.db2.gz XBGAMHMSTCSSRN-LBPRGKRZSA-N 3 0 358.284 0.467 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898279 856363639 /nfs/dbraw/zinc/36/36/39/856363639.db2.gz DPDCDORMUSJMEM-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926405 856378893 /nfs/dbraw/zinc/37/88/93/856378893.db2.gz KQRMIQDOMSZCOG-INIZCTEOSA-N 3 0 351.520 0.429 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950966 856389905 /nfs/dbraw/zinc/38/99/05/856389905.db2.gz MBKXWRQEIWZJMF-DRZSPHRISA-N 2 0 368.507 0.073 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccn(CC(F)(F)F)c(=O)c1 ZINC001220987554 856408371 /nfs/dbraw/zinc/40/83/71/856408371.db2.gz AXOCPZMHLXVDPQ-GFCCVEGCSA-N 2 0 361.368 0.100 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220994610 856413571 /nfs/dbraw/zinc/41/35/71/856413571.db2.gz YWZXSJZEAKPDGO-KSZLIROESA-N 2 0 353.507 0.840 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003726 856418088 /nfs/dbraw/zinc/41/80/88/856418088.db2.gz FJNCARSIBGLQAG-MZQPGHDOSA-N 2 0 352.504 0.776 20 0 FCADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001221006587 856419248 /nfs/dbraw/zinc/41/92/48/856419248.db2.gz JLQURXYHMIEBDO-JYJNAYRXSA-N 2 0 356.511 0.672 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028011 856429994 /nfs/dbraw/zinc/42/99/94/856429994.db2.gz BUABXPHYHRJFGL-HNNXBMFYSA-N 2 0 368.503 0.144 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)COC1(C)C ZINC001221061075 856440072 /nfs/dbraw/zinc/44/00/72/856440072.db2.gz ZMWSEHHIHASQSH-FZMZJTMJSA-N 2 0 352.410 0.428 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C[NH2+]C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067589 856446014 /nfs/dbraw/zinc/44/60/14/856446014.db2.gz AYACQDHXWABIHV-IHWGESPNSA-N 2 0 357.495 0.403 20 0 FCADRP CCC[C@H]([NH3+])C(=O)N[C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068141 856446626 /nfs/dbraw/zinc/44/66/26/856446626.db2.gz RKSBSMQEGGAXFK-KPRKPIBOSA-N 2 0 357.495 0.532 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091215 856457262 /nfs/dbraw/zinc/45/72/62/856457262.db2.gz GBLPIMHBVRQKKM-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148630 856484252 /nfs/dbraw/zinc/48/42/52/856484252.db2.gz IZWNKULBABEOFS-BBRMVZONSA-N 2 0 366.487 0.321 20 0 FCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221148693 856484440 /nfs/dbraw/zinc/48/44/40/856484440.db2.gz LISQEUGHSKTMTO-CJNGLKHVSA-N 2 0 366.487 0.321 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221155041 856488194 /nfs/dbraw/zinc/48/81/94/856488194.db2.gz YUKHXEIUWTVCKF-SJORKVTESA-N 2 0 357.495 0.077 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001221187962 856507099 /nfs/dbraw/zinc/50/70/99/856507099.db2.gz LHAUBDXRAAZGBK-OLZOCXBDSA-N 2 0 361.364 0.972 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221272016 856534639 /nfs/dbraw/zinc/53/46/39/856534639.db2.gz RVYFVRBZPOYISP-ILHYTBSESA-N 2 0 371.487 0.745 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221272017 856534930 /nfs/dbraw/zinc/53/49/30/856534930.db2.gz RVYFVRBZPOYISP-VHWFRIBGSA-N 2 0 371.487 0.745 20 0 FCADRP COc1cccc2c1SC[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221303447 856543268 /nfs/dbraw/zinc/54/32/68/856543268.db2.gz LNJMFYSTYBJRSR-LSDHHAIUSA-N 2 0 364.515 0.579 20 0 FCADRP COc1cccc2c1SC[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221303445 856543550 /nfs/dbraw/zinc/54/35/50/856543550.db2.gz LNJMFYSTYBJRSR-GJZGRUSLSA-N 2 0 364.515 0.579 20 0 FCADRP [NH3+]CCCCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001221346725 856552401 /nfs/dbraw/zinc/55/24/01/856552401.db2.gz VTVBCCIGRAHWSU-UHFFFAOYSA-N 2 0 354.476 0.186 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350830 856553563 /nfs/dbraw/zinc/55/35/63/856553563.db2.gz YEEHNNYPHPQRRC-AVGNSLFASA-N 2 0 358.483 0.055 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)COC1(C)C ZINC001221402301 856559185 /nfs/dbraw/zinc/55/91/85/856559185.db2.gz CJNOOBJMHCTWKT-PPWQZUPISA-N 2 0 354.495 0.534 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221848360 856708587 /nfs/dbraw/zinc/70/85/87/856708587.db2.gz LKQLGEWIFOJFEY-KZNAEPCWSA-N 2 0 353.507 0.791 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223024330 856891380 /nfs/dbraw/zinc/89/13/80/856891380.db2.gz YKNOCIMZHSRAPL-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223425189 856915620 /nfs/dbraw/zinc/91/56/20/856915620.db2.gz OTCUZCGSZVBHLU-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430870 856917274 /nfs/dbraw/zinc/91/72/74/856917274.db2.gz QVNNKKZOLUXVNG-OAGGEKHMSA-N 2 0 357.520 0.296 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223946547 856952814 /nfs/dbraw/zinc/95/28/14/856952814.db2.gz BZGGACZLKRTIPH-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224228236 856970973 /nfs/dbraw/zinc/97/09/73/856970973.db2.gz YVSRANVPSZJTAY-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001225346062 857036059 /nfs/dbraw/zinc/03/60/59/857036059.db2.gz IDAYLCKIOYJKBN-BZUAXINKSA-N 2 0 371.547 0.922 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001226564818 857109972 /nfs/dbraw/zinc/10/99/72/857109972.db2.gz PPLHLENWWMZFDC-ARFHVFGLSA-N 2 0 356.486 0.916 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226891978 857130247 /nfs/dbraw/zinc/13/02/47/857130247.db2.gz XCTNPVMUOBPCIS-BZUAXINKSA-N 2 0 359.536 0.922 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001226932270 857131596 /nfs/dbraw/zinc/13/15/96/857131596.db2.gz HQTXDYGSADXZGG-NFAWXSAZSA-N 2 0 352.483 0.212 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227057606 857139415 /nfs/dbraw/zinc/13/94/15/857139415.db2.gz WXZVOBPIZBTIRN-BZUAXINKSA-N 2 0 356.511 0.496 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001228365322 857206856 /nfs/dbraw/zinc/20/68/56/857206856.db2.gz BLHIRQTWLOPTGR-HZPDHXFCSA-N 2 0 359.536 0.780 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229213873 857258817 /nfs/dbraw/zinc/25/88/17/857258817.db2.gz MRGUCGMGDNLEGR-BFHYXJOUSA-N 2 0 355.483 0.189 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229390090 857268667 /nfs/dbraw/zinc/26/86/67/857268667.db2.gz YFVGQEKSPCXDIE-NUEKZKHPSA-N 2 0 354.495 0.249 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(=O)NC1CC1 ZINC001229692381 857281761 /nfs/dbraw/zinc/28/17/61/857281761.db2.gz GHRNJIJDRAYPGU-NUEKZKHPSA-N 2 0 354.495 0.249 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229868257 857290263 /nfs/dbraw/zinc/29/02/63/857290263.db2.gz FNUJHWIRYXWOEU-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229877348 857291238 /nfs/dbraw/zinc/29/12/38/857291238.db2.gz QTNHHWNVTCOUGA-HUUCEWRRSA-N 2 0 352.479 0.494 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001230137980 857306174 /nfs/dbraw/zinc/30/61/74/857306174.db2.gz AIBWYSZYEFIPKK-BRWVUGGUSA-N 2 0 350.507 0.871 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001230141392 857306893 /nfs/dbraw/zinc/30/68/93/857306893.db2.gz JAQDSVRAVYXYFH-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284542 857322818 /nfs/dbraw/zinc/32/28/18/857322818.db2.gz KBNZDSWJPXOSMW-BRWVUGGUSA-N 2 0 359.511 0.368 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279467134 862897615 /nfs/dbraw/zinc/89/76/15/862897615.db2.gz IQKCSQOKRDSPMN-GVDBMIGSSA-N 2 0 350.507 0.239 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001230284949 857322902 /nfs/dbraw/zinc/32/29/02/857322902.db2.gz YQAAQRALVXPDRA-BZUAXINKSA-N 2 0 359.536 0.778 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CCN(C[C@@H]3C[NH2+]C(C)(C)O3)CC2)CC1 ZINC001235607804 857429168 /nfs/dbraw/zinc/42/91/68/857429168.db2.gz CXPQGKYELOWHGM-KRWDZBQOSA-N 2 0 352.523 0.976 20 0 FCADRP c1ccc(COCCOCCN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235868474 857432938 /nfs/dbraw/zinc/43/29/38/857432938.db2.gz FFLYJJURQHVXSY-UHFFFAOYSA-N 2 0 350.507 0.304 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024931 857435648 /nfs/dbraw/zinc/43/56/48/857435648.db2.gz SSVICVLLLFWKGU-HLUFSKSISA-N 3 0 357.445 0.808 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c(F)c(F)c(F)c(F)c1F ZINC001236308391 857438115 /nfs/dbraw/zinc/43/81/15/857438115.db2.gz FSKBDAUNJGVRDZ-UHFFFAOYSA-N 2 0 368.350 0.998 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc2c1OC(F)(F)O2 ZINC001236310276 857438810 /nfs/dbraw/zinc/43/88/10/857438810.db2.gz WJFDAZFFNCTAFI-UHFFFAOYSA-N 2 0 358.389 0.624 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Cl)c1O ZINC001236310931 857439013 /nfs/dbraw/zinc/43/90/13/857439013.db2.gz BWGKBHANRXCQRU-UHFFFAOYSA-N 2 0 358.870 0.670 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(F)cc2c1OCOC2 ZINC001236310151 857439105 /nfs/dbraw/zinc/43/91/05/857439105.db2.gz BSPVOHAJQCZSER-UHFFFAOYSA-N 2 0 354.426 0.308 20 0 FCADRP CCOc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Cl)cn1 ZINC001236316718 857440833 /nfs/dbraw/zinc/44/08/33/857440833.db2.gz UHQJJKSVUCNLTE-UHFFFAOYSA-N 2 0 357.886 0.750 20 0 FCADRP C[N@@H+](Cc1ccc(Br)cc1N1CC[NH+](C)CC1)C[C@H](O)CO ZINC001237093881 857448567 /nfs/dbraw/zinc/44/85/67/857448567.db2.gz HSTZHPIANTVCFB-HNNXBMFYSA-N 2 0 372.307 0.986 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001237631240 857456084 /nfs/dbraw/zinc/45/60/84/857456084.db2.gz YVJCHAJILISDKX-UHFFFAOYSA-N 2 0 356.467 0.977 20 0 FCADRP O=C(c1cccc(NS(=O)(=O)CC2CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC001237818101 857457942 /nfs/dbraw/zinc/45/79/42/857457942.db2.gz VZXGLSZEFLYRGF-UHFFFAOYSA-N 2 0 366.487 0.473 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2c(c1)OCO2 ZINC001238242597 857464879 /nfs/dbraw/zinc/46/48/79/857464879.db2.gz PJRHRQVJGNGGGL-LBPRGKRZSA-N 2 0 353.444 0.568 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc2nsnc21 ZINC001238239154 857465261 /nfs/dbraw/zinc/46/52/61/857465261.db2.gz CBEGLHYKQWOACQ-NSHDSACASA-N 2 0 367.500 0.844 20 0 FCADRP COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1OC ZINC001238241266 857465302 /nfs/dbraw/zinc/46/53/02/857465302.db2.gz JSTZFBPIDYAZQR-ZDUSSCGKSA-N 2 0 369.487 0.856 20 0 FCADRP [NH3+]CCC[C@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238839160 857483554 /nfs/dbraw/zinc/48/35/54/857483554.db2.gz CDRCXBGSWGJBBH-GJZGRUSLSA-N 2 0 355.460 0.119 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001238879577 857485697 /nfs/dbraw/zinc/48/56/97/857485697.db2.gz MQXQOURCEDSGCH-UHFFFAOYSA-N 2 0 353.444 0.790 20 0 FCADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1ccc(Br)cn1 ZINC001238879898 857485710 /nfs/dbraw/zinc/48/57/10/857485710.db2.gz YDDCKZJPIMNTDI-UHFFFAOYSA-N 2 0 351.270 0.451 20 0 FCADRP COC(=O)/C=C/c1cccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001238879535 857485762 /nfs/dbraw/zinc/48/57/62/857485762.db2.gz MCTQDQIMSMFPFT-CMDGGOBGSA-N 2 0 369.487 0.870 20 0 FCADRP COC(=O)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001238919767 857489959 /nfs/dbraw/zinc/48/99/59/857489959.db2.gz OUEHIZYHJBJOLE-HNNXBMFYSA-N 2 0 355.460 0.392 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(I)cc1 ZINC001239095966 857512773 /nfs/dbraw/zinc/51/27/73/857512773.db2.gz STJMWPOVVFYTPX-UHFFFAOYSA-N 2 0 369.228 0.199 20 0 FCADRP Cc1cc(C)cc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131238 857517583 /nfs/dbraw/zinc/51/75/83/857517583.db2.gz KNLRAPXSHIJYBB-UHFFFAOYSA-N 2 0 356.492 0.108 20 0 FCADRP [NH3+]CCNC(=S)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239376787 857526849 /nfs/dbraw/zinc/52/68/49/857526849.db2.gz RWSZTXRUBVNJSI-CABCVRRESA-N 2 0 350.488 0.868 20 0 FCADRP COC(=O)c1cccc(CN(C(=S)NCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001239455850 857530112 /nfs/dbraw/zinc/53/01/12/857530112.db2.gz GFRDMBCFPQHQEJ-UHFFFAOYSA-N 2 0 350.488 0.860 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001245981909 857562892 /nfs/dbraw/zinc/56/28/92/857562892.db2.gz HEAOWEGEBGYOJE-XOKHGSTOSA-N 3 0 355.429 0.554 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001245984124 857563358 /nfs/dbraw/zinc/56/33/58/857563358.db2.gz MPJDVFZDNNNYFG-YESZJQIVSA-N 3 0 355.429 0.696 20 0 FCADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245985850 857563542 /nfs/dbraw/zinc/56/35/42/857563542.db2.gz TXYPEXFZLKKJQZ-CABCVRRESA-N 2 0 359.511 0.281 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246037063 857565938 /nfs/dbraw/zinc/56/59/38/857565938.db2.gz WGYVQDOQHPWYBT-KSZLIROESA-N 2 0 355.429 0.650 20 0 FCADRP CCCOC[C@H](O)CN1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001246034677 857566033 /nfs/dbraw/zinc/56/60/33/857566033.db2.gz RPGDGQYEFSNUPW-VHDGCEQUSA-N 2 0 368.396 0.791 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC1(O)CC[NH2+]CC1)C2 ZINC001246030082 857566176 /nfs/dbraw/zinc/56/61/76/857566176.db2.gz CAWOKXJBPGJIGU-LSDHHAIUSA-N 2 0 365.396 0.118 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246037065 857566428 /nfs/dbraw/zinc/56/64/28/857566428.db2.gz WGYVQDOQHPWYBT-RCCFBDPRSA-N 2 0 355.429 0.650 20 0 FCADRP OC1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246052484 857567314 /nfs/dbraw/zinc/56/73/14/857567314.db2.gz MUODWVVRTDQMHZ-UHFFFAOYSA-N 3 0 354.539 0.125 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246344207 857573612 /nfs/dbraw/zinc/57/36/12/857573612.db2.gz YVYGRVDXEOSUOJ-QCNOEVLYSA-N 2 0 352.426 0.380 20 0 FCADRP O=S1(=O)CCC(Cc2cccnc2)([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246391868 857576405 /nfs/dbraw/zinc/57/64/05/857576405.db2.gz PKXCZRWJMFBKJV-MRXNPFEDSA-N 2 0 364.515 0.255 20 0 FCADRP O=C([C@@H]1C[C@@H](NC2(c3cccnc3)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246423608 857578364 /nfs/dbraw/zinc/57/83/64/857578364.db2.gz MDIJBXPFTYRIKI-CVEARBPZSA-N 2 0 361.515 0.513 20 0 FCADRP O=S1(=O)CCCCN1c1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246432923 857579338 /nfs/dbraw/zinc/57/93/38/857579338.db2.gz FOKYHIFWHSCDHN-MRXNPFEDSA-N 2 0 364.515 0.800 20 0 FCADRP [NH2+]=C(NCCC[C@H]([NH3+])C(=O)SCc1ccccc1)N[C@H]1CNC(=O)C1 ZINC001246489749 857581438 /nfs/dbraw/zinc/58/14/38/857581438.db2.gz SVRBHOUMHJGYOS-KGLIPLIRSA-N 2 0 363.487 0.556 20 0 FCADRP NC1=CC=C(C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)[NH2+]C1 ZINC001246493513 857581537 /nfs/dbraw/zinc/58/15/37/857581537.db2.gz HAFPCJULDVMLKM-WBVHZDCISA-N 2 0 363.531 0.292 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246521419 857583214 /nfs/dbraw/zinc/58/32/14/857583214.db2.gz VGSWBEIESCVKLA-RLFYNMQTSA-N 2 0 354.495 0.380 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246521422 857583682 /nfs/dbraw/zinc/58/36/82/857583682.db2.gz VGSWBEIESCVKLA-RVKKMQEKSA-N 2 0 354.495 0.380 20 0 FCADRP COC(=O)C1C[C@@H]2CC([N@@H+]3CCOCC4(CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246613530 857586792 /nfs/dbraw/zinc/58/67/92/857586792.db2.gz LGKZBOUWDUSKPX-HPZPOOBXSA-N 3 0 351.491 0.761 20 0 FCADRP CC(C)(C)OC(=O)CN1CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618446 857587241 /nfs/dbraw/zinc/58/72/41/857587241.db2.gz LBMWJNJXYUXZHD-IRXDYDNUSA-N 2 0 352.523 0.818 20 0 FCADRP C[C@H]1CC[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C[NH2+]1 ZINC001246693632 857591063 /nfs/dbraw/zinc/59/10/63/857591063.db2.gz KXRZBIKATJHXCF-DRPJVOAASA-N 2 0 355.508 0.095 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736794 857595963 /nfs/dbraw/zinc/59/59/63/857595963.db2.gz BLIFIHISFLFFCO-PNKHAZJDSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733745 857596097 /nfs/dbraw/zinc/59/60/97/857596097.db2.gz BIPSFARUDNUWQU-MTNOOBJLSA-N 2 0 351.491 0.714 20 0 FCADRP [NH3+]C1CC[NH+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC1 ZINC001246963125 857606420 /nfs/dbraw/zinc/60/64/20/857606420.db2.gz GFPAOQIODAGRRQ-IRXDYDNUSA-N 3 0 367.563 0.137 20 0 FCADRP CCOC(=O)C1(C)CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926803 857606695 /nfs/dbraw/zinc/60/66/95/857606695.db2.gz UWEIUQCRAGDIGW-UHFFFAOYSA-N 3 0 356.511 0.614 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279518435 862933328 /nfs/dbraw/zinc/93/33/28/862933328.db2.gz VKVYEKWAZGPTBV-MAUKXSAKSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001253184670 857869124 /nfs/dbraw/zinc/86/91/24/857869124.db2.gz IQONUIIDBGDHDC-XMTFNYHQSA-N 2 0 353.507 0.506 20 0 FCADRP CC[NH+](CC)C[C@H](O)CNCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001253213933 857872577 /nfs/dbraw/zinc/87/25/77/857872577.db2.gz OIUBHRWSKFZMRE-GOSISDBHSA-N 2 0 354.539 0.756 20 0 FCADRP C[C@](O)(C[NH2+]CC1CC[NH+](CCO)CC1)C(=O)OCc1ccccc1 ZINC001253653369 857899739 /nfs/dbraw/zinc/89/97/39/857899739.db2.gz LOUNFESRAARHRE-IBGZPJMESA-N 2 0 350.459 0.775 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001254169999 857946060 /nfs/dbraw/zinc/94/60/60/857946060.db2.gz YSQAQRPPZWSAPF-CQSZACIVSA-N 2 0 369.487 0.486 20 0 FCADRP CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001254192911 857948002 /nfs/dbraw/zinc/94/80/02/857948002.db2.gz UQIMDNUVAWSQEU-ZDUSSCGKSA-N 2 0 360.459 0.914 20 0 FCADRP CCOC(=O)CN1CCC([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001254410770 857970677 /nfs/dbraw/zinc/97/06/77/857970677.db2.gz CVILMDKBSRBJSO-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP CC(=O)N1CCC([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1 ZINC001254419343 857970922 /nfs/dbraw/zinc/97/09/22/857970922.db2.gz YVQKNQQOSTUDGO-UHFFFAOYSA-N 2 0 353.463 0.594 20 0 FCADRP C[N@@H+]1CCC[C@@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001254519174 857977167 /nfs/dbraw/zinc/97/71/67/857977167.db2.gz HUAXIDACKLJCHH-CQSZACIVSA-N 2 0 355.508 0.622 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616729 862982456 /nfs/dbraw/zinc/98/24/56/862982456.db2.gz PLEIDWIVFPSDPW-IRXDYDNUSA-N 2 0 358.552 0.368 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CC3(C2)CCC[N@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001279615556 862980490 /nfs/dbraw/zinc/98/04/90/862980490.db2.gz UAVYHKCNTYIVRT-UHFFFAOYSA-N 2 0 367.519 0.506 20 0 FCADRP C[NH+](C)CCN1CCC2(C[NH+](CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001279616616 862981737 /nfs/dbraw/zinc/98/17/37/862981737.db2.gz NQCJLBSBWVVVJK-UHFFFAOYSA-N 2 0 358.552 0.227 20 0 FCADRP CS(=O)(=O)N1CCC(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256681566 858095212 /nfs/dbraw/zinc/09/52/12/858095212.db2.gz WXPXRCBIFGEYTD-UHFFFAOYSA-N 2 0 359.536 0.891 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001279628214 862986675 /nfs/dbraw/zinc/98/66/75/862986675.db2.gz LFFVOOZFSSTQAT-CALCHBBNSA-N 2 0 358.552 0.778 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257732189 858157828 /nfs/dbraw/zinc/15/78/28/858157828.db2.gz BDEMRFJWYTXMRI-BFHYXJOUSA-N 2 0 356.467 0.573 20 0 FCADRP C[C@H](Cc1cccs1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001258084045 858177387 /nfs/dbraw/zinc/17/73/87/858177387.db2.gz XASABKMTNIVLJY-CQSZACIVSA-N 2 0 354.520 0.747 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC001261526068 858579833 /nfs/dbraw/zinc/57/98/33/858579833.db2.gz XRNIYRFGTGRPPQ-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC001262064360 858769571 /nfs/dbraw/zinc/76/95/71/858769571.db2.gz YWMOSNFLDCMJQT-HUUCEWRRSA-N 2 0 356.511 0.483 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC001262064359 858769612 /nfs/dbraw/zinc/76/96/12/858769612.db2.gz YWMOSNFLDCMJQT-GJZGRUSLSA-N 2 0 356.511 0.483 20 0 FCADRP C[C@@]1(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)NC(=O)NC1=O ZINC001262484971 858958201 /nfs/dbraw/zinc/95/82/01/858958201.db2.gz OVZHFKQKVKUMQJ-YOEHRIQHSA-N 2 0 350.463 0.455 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001262590928 859012019 /nfs/dbraw/zinc/01/20/19/859012019.db2.gz ABTANDUZRZKNKU-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001263129380 859108521 /nfs/dbraw/zinc/10/85/21/859108521.db2.gz KOABMBUQLHQFNR-BPUTZDHNSA-N 2 0 351.495 0.497 20 0 FCADRP COC[C@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001264025674 859281399 /nfs/dbraw/zinc/28/13/99/859281399.db2.gz SCRLDGVMIXQYKO-OUCADQQQSA-N 2 0 351.451 0.263 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001264564054 859386693 /nfs/dbraw/zinc/38/66/93/859386693.db2.gz CWJYMOOBYDOLQF-KGLIPLIRSA-N 2 0 355.483 0.130 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655900 859417030 /nfs/dbraw/zinc/41/70/30/859417030.db2.gz RVMGMFWVTXFHQP-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001270237433 859694791 /nfs/dbraw/zinc/69/47/91/859694791.db2.gz BVILFWJXDDBDDX-IAGOWNOFSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001270237209 859694871 /nfs/dbraw/zinc/69/48/71/859694871.db2.gz MSHJDUKBSZHQPE-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2CC1 ZINC001272746232 860244687 /nfs/dbraw/zinc/24/46/87/860244687.db2.gz XDVWLEWDWTUCDV-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)CC[NH+]3CCCC3)C2)C1 ZINC001273122381 860381995 /nfs/dbraw/zinc/38/19/95/860381995.db2.gz ZHPMARJSYCXHJQ-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CC[N@H+](C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001273331788 860455470 /nfs/dbraw/zinc/45/54/70/860455470.db2.gz BLZIRPIHIHSXSZ-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001273404799 860480427 /nfs/dbraw/zinc/48/04/27/860480427.db2.gz KRXJITGHQPYQIZ-HDICACEKSA-N 2 0 352.523 0.580 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001273511918 860514205 /nfs/dbraw/zinc/51/42/05/860514205.db2.gz NIZUYAYLZNKJJY-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@H]21 ZINC001273557953 860529229 /nfs/dbraw/zinc/52/92/29/860529229.db2.gz CFSXVXZMCJAWFB-SJORKVTESA-N 2 0 350.507 0.478 20 0 FCADRP NS(=O)(=O)CCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001273581251 860535543 /nfs/dbraw/zinc/53/55/43/860535543.db2.gz YVVOUQUYPRIZNP-CVEARBPZSA-N 2 0 369.491 0.113 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](C)C1)C2 ZINC001273834946 860614196 /nfs/dbraw/zinc/61/41/96/860614196.db2.gz JHEZSBDNBAWQDW-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275171054 860977474 /nfs/dbraw/zinc/97/74/74/860977474.db2.gz CKBFBQPJRDHAJR-OAHLLOKOSA-N 2 0 363.531 0.732 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1 ZINC001275225969 860993944 /nfs/dbraw/zinc/99/39/44/860993944.db2.gz IIBLWJYQZUSRQF-ZIFCJYIRSA-N 2 0 352.523 0.582 20 0 FCADRP CC[C@@H](NC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2)C(N)=O ZINC001275557001 861129451 /nfs/dbraw/zinc/12/94/51/861129451.db2.gz RRCBJOAEVWSKPC-JKSUJKDBSA-N 2 0 350.507 0.810 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736122 861178631 /nfs/dbraw/zinc/17/86/31/861178631.db2.gz BHELYHMTQNLNQO-KSSFIOAISA-N 2 0 353.463 0.241 20 0 FCADRP CC(C)(C)C(=O)CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737658 861180745 /nfs/dbraw/zinc/18/07/45/861180745.db2.gz NEBRUZPBXIHJMZ-IBGZPJMESA-N 2 0 351.491 0.905 20 0 FCADRP COC(CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O)OC ZINC001275737632 861180777 /nfs/dbraw/zinc/18/07/77/861180777.db2.gz MQTBXYQGLBTOOT-GOSISDBHSA-N 2 0 353.463 0.446 20 0 FCADRP CNC(=O)C(C)(C)NC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275738242 861181254 /nfs/dbraw/zinc/18/12/54/861181254.db2.gz WLPFLPHAXWURAL-HNNXBMFYSA-N 2 0 350.507 0.729 20 0 FCADRP CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001275742084 861183914 /nfs/dbraw/zinc/18/39/14/861183914.db2.gz AMEFZZNMCRVPRK-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742403 861185425 /nfs/dbraw/zinc/18/54/25/861185425.db2.gz DFWSHUPVZNSKAQ-ZWKOTPCHSA-N 2 0 358.477 0.854 20 0 FCADRP CC(=O)[C@@H](C)N1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743684 861187724 /nfs/dbraw/zinc/18/77/24/861187724.db2.gz URFQLAUOXCTKLS-DNVCBOLYSA-N 2 0 351.491 0.999 20 0 FCADRP CC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743686 861187790 /nfs/dbraw/zinc/18/77/90/861187790.db2.gz URFQLAUOXCTKLS-KXBFYZLASA-N 2 0 351.491 0.999 20 0 FCADRP CC(=O)[C@@H](C)N1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743683 861187809 /nfs/dbraw/zinc/18/78/09/861187809.db2.gz URFQLAUOXCTKLS-BEFAXECRSA-N 2 0 351.491 0.999 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026658 863198816 /nfs/dbraw/zinc/19/88/16/863198816.db2.gz WFBKWDXFMMPBMW-MPTYRVRUSA-N 2 0 351.491 0.964 20 0 FCADRP COCCOC[N@@H+]1CCCC2(CCN([C@@H](COC)C(=O)OC)CC2)C1 ZINC001280052298 863221027 /nfs/dbraw/zinc/22/10/27/863221027.db2.gz IGIKULRFPALWDK-INIZCTEOSA-N 2 0 358.479 0.973 20 0 FCADRP Cn1nccc1CNC(=O)[C@@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137281 863286820 /nfs/dbraw/zinc/28/68/20/863286820.db2.gz IWZDIHUMKDVYKF-INIZCTEOSA-N 2 0 363.531 0.843 20 0 FCADRP O=C(NCCn1ccnn1)[C@@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280136812 863286865 /nfs/dbraw/zinc/28/68/65/863286865.db2.gz HDJHQSHJVYZBAD-HNNXBMFYSA-N 2 0 364.519 0.201 20 0 FCADRP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](COCCOC)C[C@H]12 ZINC001280152312 863298041 /nfs/dbraw/zinc/29/80/41/863298041.db2.gz RTFQQORSHFGTGR-HZPDHXFCSA-N 2 0 355.479 0.156 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280256192 863361924 /nfs/dbraw/zinc/36/19/24/863361924.db2.gz BOAIVKFMTXKQMN-DOTOQJQBSA-N 2 0 351.491 0.429 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257150 863364879 /nfs/dbraw/zinc/36/48/79/863364879.db2.gz GJWYJCLEYBDPTQ-BGTYHANMSA-N 2 0 351.491 0.570 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCS(C)(=O)=O)C1 ZINC001280257198 863364968 /nfs/dbraw/zinc/36/49/68/863364968.db2.gz HLJMUMMWPNRSBN-UHDSXZAQSA-N 2 0 371.547 0.493 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[NH+](C)CC(C)(C)C)C2)CC[N@@H+]1C ZINC001284970668 864603555 /nfs/dbraw/zinc/60/35/55/864603555.db2.gz DRODFSHTBOLNKE-GDBMZVCRSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[NH+]3C)CCCC2)CC[N@@H+]1C ZINC001285116128 864611026 /nfs/dbraw/zinc/61/10/26/864611026.db2.gz SDRYFLSITRAHIY-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C/C(=C/C(=O)NC[C@H](C1CC1)[NH+](C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001350978854 866747809 /nfs/dbraw/zinc/74/78/09/866747809.db2.gz BVIMYBSZSFMSLP-WQEVNMHISA-N 2 0 350.507 0.846 20 0 FCADRP C[C@@H]1C[C@H](CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001309759240 866884653 /nfs/dbraw/zinc/88/46/53/866884653.db2.gz ZIDUMPPGMCYPFM-QBPKDAKJSA-N 2 0 361.552 0.803 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@](O)(C(F)F)C3)CC2)CC1 ZINC001311776089 867119957 /nfs/dbraw/zinc/11/99/57/867119957.db2.gz CGDCUZPWXLDDDN-KRWDZBQOSA-N 2 0 360.449 0.957 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001316597109 867361541 /nfs/dbraw/zinc/36/15/41/867361541.db2.gz MTHFLBDPGYYEEI-GDBMZVCRSA-N 2 0 354.495 0.058 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001316707638 867414424 /nfs/dbraw/zinc/41/44/24/867414424.db2.gz CJESHXXAHBENIA-KGLIPLIRSA-N 2 0 355.483 0.001 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001316753715 867450760 /nfs/dbraw/zinc/45/07/60/867450760.db2.gz DUBAEKHEUMYRMG-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001354091773 867546732 /nfs/dbraw/zinc/54/67/32/867546732.db2.gz JBAYCBHRXNFRLT-QGZVFWFLSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)(C)[NH2+]CC(=O)NCC1(NC(=O)C[NH2+]C(C)(C)C)CCOCC1 ZINC001318552058 867693547 /nfs/dbraw/zinc/69/35/47/867693547.db2.gz DGEFALWIVUWUCP-UHFFFAOYSA-N 2 0 356.511 0.544 20 0 FCADRP C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001356254196 867964106 /nfs/dbraw/zinc/96/41/06/867964106.db2.gz SDLHVCFPOQHIDS-DOMZBBRYSA-N 2 0 351.520 0.974 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001321821571 868626874 /nfs/dbraw/zinc/62/68/74/868626874.db2.gz NBTFDMBAYWWDRR-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001322286870 868781880 /nfs/dbraw/zinc/78/18/80/868781880.db2.gz QAIXVHIDSIBOOG-HNNXBMFYSA-N 2 0 373.563 0.837 20 0 FCADRP C[NH+]1CC2(C1)CCN(C(=O)CSCC(=O)N1CCC3(C[NH+](C)C3)C1)C2 ZINC001324386742 869566510 /nfs/dbraw/zinc/56/65/10/869566510.db2.gz JKJNRJFUDIZIIA-UHFFFAOYSA-N 2 0 366.531 0.048 20 0 FCADRP C[C@H](C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1)CS(C)(=O)=O ZINC001325741119 870013694 /nfs/dbraw/zinc/01/36/94/870013694.db2.gz VNHLVSRXWVEPIH-OVYGPGRDSA-N 2 0 371.547 0.398 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326165218 870192728 /nfs/dbraw/zinc/19/27/28/870192728.db2.gz PKLXGHCBLJXQJG-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC001326993790 870607630 /nfs/dbraw/zinc/60/76/30/870607630.db2.gz GTLAZMSNZSVRJX-UHFFFAOYSA-N 2 0 356.364 0.051 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001327086565 870661034 /nfs/dbraw/zinc/66/10/34/870661034.db2.gz DNICPJVHTBGATO-HNNXBMFYSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001344135507 870758490 /nfs/dbraw/zinc/75/84/90/870758490.db2.gz JVWFTAAIMWSEMQ-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP 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 ZINC001344214602 870771797 /nfs/dbraw/zinc/77/17/97/870771797.db2.gz YPVOECVBXWVKCG-LVQVYYBASA-N 2 0 350.507 0.822 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001327498170 870908770 /nfs/dbraw/zinc/90/87/70/870908770.db2.gz ICEFIRVKVCXNAB-ZIAGYGMSSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@H](CCC(=O)N1CC(C[NH+](C)C)C1)CC(=O)N1CC(C[NH+](C)C)C1 ZINC001329321516 871953468 /nfs/dbraw/zinc/95/34/68/871953468.db2.gz NPPYLHITYQHUQC-OAHLLOKOSA-N 2 0 352.523 0.833 20 0 FCADRP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329491449 872064862 /nfs/dbraw/zinc/06/48/62/872064862.db2.gz SFKUWFQJVOUWBO-GJZGRUSLSA-N 2 0 357.520 0.486 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001348517254 872718273 /nfs/dbraw/zinc/71/82/73/872718273.db2.gz MEQLQUCUJZSALD-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1(C)C ZINC001330647872 872747815 /nfs/dbraw/zinc/74/78/15/872747815.db2.gz IFANDIOFLVHKQG-QFBILLFUSA-N 2 0 352.523 0.757 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC001330919017 872872232 /nfs/dbraw/zinc/87/22/32/872872232.db2.gz VKKXFLRAFZZLIG-HNNXBMFYSA-N 2 0 352.479 0.087 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC001330919018 872872721 /nfs/dbraw/zinc/87/27/21/872872721.db2.gz VKKXFLRAFZZLIG-OAHLLOKOSA-N 2 0 352.479 0.087 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453706 873111833 /nfs/dbraw/zinc/11/18/33/873111833.db2.gz OBNMCHKVDZESDL-WMZOPIPTSA-N 2 0 353.511 0.163 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCSC1 ZINC001331490310 873123799 /nfs/dbraw/zinc/12/37/99/873123799.db2.gz XHZWNRUANRWXMH-GOSISDBHSA-N 2 0 368.547 0.532 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)C[C@@H]21 ZINC001331705955 873206525 /nfs/dbraw/zinc/20/65/25/873206525.db2.gz FHEHCRXGJOUUMI-NOOOWODRSA-N 2 0 354.405 0.950 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331834422 873266486 /nfs/dbraw/zinc/26/64/86/873266486.db2.gz UESDZJXAGAJNQD-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001332343178 873465813 /nfs/dbraw/zinc/46/58/13/873465813.db2.gz YRFGSBDMSOTGCS-BRWVUGGUSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574859 873563709 /nfs/dbraw/zinc/56/37/09/873563709.db2.gz WYIWEPVZGWFKSX-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001332977309 873743285 /nfs/dbraw/zinc/74/32/85/873743285.db2.gz VNIWZKAVWVPCQR-MEDUHNTESA-N 2 0 354.405 0.966 20 0 FCADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926126 948987308 /nfs/dbraw/zinc/98/73/08/948987308.db2.gz JACNLQSTEZYNPC-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926122 948987961 /nfs/dbraw/zinc/98/79/61/948987961.db2.gz IWXTVXFXFWGRGU-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263745 949406284 /nfs/dbraw/zinc/40/62/84/949406284.db2.gz JEPGRKLZQVGFRY-CXAGYDPISA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263748 949407837 /nfs/dbraw/zinc/40/78/37/949407837.db2.gz JEPGRKLZQVGFRY-GUYCJALGSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263750 949408726 /nfs/dbraw/zinc/40/87/26/949408726.db2.gz JEPGRKLZQVGFRY-SUMWQHHRSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707656 949472128 /nfs/dbraw/zinc/47/21/28/949472128.db2.gz PRLZGVPRNIBQAA-WCQYABFASA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575271435 949620970 /nfs/dbraw/zinc/62/09/70/949620970.db2.gz KIEQRYQCFCYBKN-ZIAGYGMSSA-N 2 0 372.477 0.935 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575273047 949660061 /nfs/dbraw/zinc/66/00/61/949660061.db2.gz UYOYBARMJANQQJ-ZDUSSCGKSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717004 949718958 /nfs/dbraw/zinc/71/89/58/949718958.db2.gz NOLLXYHSCXKNRX-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574720666 949799427 /nfs/dbraw/zinc/79/94/27/949799427.db2.gz FXJDZDDPZKYLHZ-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576190902 950176356 /nfs/dbraw/zinc/17/63/56/950176356.db2.gz CKAAUOKGFGTXDS-OLZOCXBDSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576190901 950176527 /nfs/dbraw/zinc/17/65/27/950176527.db2.gz CKAAUOKGFGTXDS-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576192672 950263206 /nfs/dbraw/zinc/26/32/06/950263206.db2.gz OSCOTCLVWQBVCK-CQSZACIVSA-N 2 0 372.477 0.674 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974258 950405717 /nfs/dbraw/zinc/40/57/17/950405717.db2.gz LOOPZZOJRRXYOO-HZPDHXFCSA-N 2 0 355.446 0.509 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203264 950440975 /nfs/dbraw/zinc/44/09/75/950440975.db2.gz FXNOAAJPGOXJNF-HSBZDZAISA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208706 950613695 /nfs/dbraw/zinc/61/36/95/950613695.db2.gz TZKCEKGVDRUELL-MGPQQGTHSA-N 2 0 370.461 0.332 20 0 FCADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981807 950617792 /nfs/dbraw/zinc/61/77/92/950617792.db2.gz VPHCKJJRRKJTMF-KOHJWAIASA-N 2 0 356.434 0.179 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214272 950665040 /nfs/dbraw/zinc/66/50/40/950665040.db2.gz OEQZMADJEGBYRZ-RWMBFGLXSA-N 2 0 356.434 0.085 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983859 950694514 /nfs/dbraw/zinc/69/45/14/950694514.db2.gz URBJYHXKAUEPGW-TZMCWYRMSA-N 2 0 356.434 0.359 20 0 FCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575928136 950775686 /nfs/dbraw/zinc/77/56/86/950775686.db2.gz YZHUTJITSNLEMZ-TZMCWYRMSA-N 2 0 356.434 0.181 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570994462 950962623 /nfs/dbraw/zinc/96/26/23/950962623.db2.gz QJNKMUWBYJIIMP-IUODEOHRSA-N 2 0 358.450 0.427 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571004842 951159295 /nfs/dbraw/zinc/15/92/95/951159295.db2.gz SAJLZBUQSLRUHQ-NWDGAFQWSA-N 2 0 361.475 0.570 20 0 FCADRP O=C(N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040211 951664409 /nfs/dbraw/zinc/66/44/09/951664409.db2.gz OVEBFVIMVYNPMY-HNNXBMFYSA-N 2 0 367.457 0.653 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113768 951945259 /nfs/dbraw/zinc/94/52/59/951945259.db2.gz FXCYNMVULDIFAO-HIFRSBDPSA-N 2 0 357.462 0.660 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062713 951957425 /nfs/dbraw/zinc/95/74/25/951957425.db2.gz ANAIIUXOPHLTIG-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062695 951957584 /nfs/dbraw/zinc/95/75/84/951957584.db2.gz AADPTJWBEUMQSD-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063388 951965877 /nfs/dbraw/zinc/96/58/77/951965877.db2.gz LOFPRACHNKMFRS-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078903 952136354 /nfs/dbraw/zinc/13/63/54/952136354.db2.gz XKIBFYDNTCFGCC-VHDGCEQUSA-N 2 0 370.461 0.748 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575147784 952200951 /nfs/dbraw/zinc/20/09/51/952200951.db2.gz WAFLJENLOXSBIX-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571103631 952356552 /nfs/dbraw/zinc/35/65/52/952356552.db2.gz MZQGGBAJAAKQMA-CZUORRHYSA-N 2 0 372.477 0.593 20 0 FCADRP C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)C[NH+](C)C)nc1)C[NH+](C)C ZINC000293948706 214213270 /nfs/dbraw/zinc/21/32/70/214213270.db2.gz VIRKHBGTMPFLFG-GJZGRUSLSA-N 2 0 363.506 0.937 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000413670663 529608606 /nfs/dbraw/zinc/60/86/06/529608606.db2.gz YOFUBWZYWQGJOW-KFWWJZLASA-N 2 0 358.552 0.727 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923266 529801042 /nfs/dbraw/zinc/80/10/42/529801042.db2.gz BKCCZNFGPVMMOX-FXAWDEMLSA-N 2 0 362.518 0.731 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410557890 529886410 /nfs/dbraw/zinc/88/64/10/529886410.db2.gz OZVHWURLDQMRPL-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC3CC[NH2+]CC3)C2)CC1 ZINC000331430448 214994656 /nfs/dbraw/zinc/99/46/56/214994656.db2.gz MBXIRMRNWFHZMZ-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCCC1 ZINC000331480410 215003615 /nfs/dbraw/zinc/00/36/15/215003615.db2.gz HWOWFMBVXKBNQL-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000331728348 215039642 /nfs/dbraw/zinc/03/96/42/215039642.db2.gz ZHRPEBCTMJGRCO-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC000331819971 215050977 /nfs/dbraw/zinc/05/09/77/215050977.db2.gz PRMWUNZYYDCNSN-IAGOWNOFSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000331847983 215057001 /nfs/dbraw/zinc/05/70/01/215057001.db2.gz VNHOYJBYIJVXKO-BRWVUGGUSA-N 2 0 366.506 0.001 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1[NH3+] ZINC000331859555 215058494 /nfs/dbraw/zinc/05/84/94/215058494.db2.gz JSWZWNYFECTVLD-ZGRYLRDCSA-N 2 0 350.507 0.951 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000332134079 215099434 /nfs/dbraw/zinc/09/94/34/215099434.db2.gz ITLQRZOZVXLFNJ-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000332212867 215111003 /nfs/dbraw/zinc/11/10/03/215111003.db2.gz VKQCTHNUFCRONM-INIZCTEOSA-N 2 0 350.507 0.908 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332292369 215123370 /nfs/dbraw/zinc/12/33/70/215123370.db2.gz CTDZCJOOOLWGDD-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000332325345 215131432 /nfs/dbraw/zinc/13/14/32/215131432.db2.gz XEIRNPHXKAJBAF-HWMZRRJGSA-N 2 0 366.506 0.140 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332339081 215132153 /nfs/dbraw/zinc/13/21/53/215132153.db2.gz MRONNUAWJPWHPL-USXIJHARSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000332345565 215134282 /nfs/dbraw/zinc/13/42/82/215134282.db2.gz YCGXRHPOCYIJQK-NRSFXHEJSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000332531086 215171190 /nfs/dbraw/zinc/17/11/90/215171190.db2.gz QHDFXGITEZGWLD-HRCADAONSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000332538732 215173833 /nfs/dbraw/zinc/17/38/33/215173833.db2.gz JWEHTOAKPGXMLR-WBVHZDCISA-N 2 0 366.506 0.001 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000332549379 215177402 /nfs/dbraw/zinc/17/74/02/215177402.db2.gz IVKSQUOAIQWNHO-QGZVFWFLSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000332614492 215190287 /nfs/dbraw/zinc/19/02/87/215190287.db2.gz AVPCZQPCGIZAAZ-XIRDDKMYSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000333007074 215223186 /nfs/dbraw/zinc/22/31/86/215223186.db2.gz AHQAIBFPHZHQQJ-DLBZAZTESA-N 2 0 369.554 0.499 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000333119849 215237814 /nfs/dbraw/zinc/23/78/14/215237814.db2.gz UTKPZXWYTUWLEK-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000333125630 215239425 /nfs/dbraw/zinc/23/94/25/215239425.db2.gz CVNWGEFSPXPLRG-INIZCTEOSA-N 2 0 369.554 0.499 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC000333356107 215269622 /nfs/dbraw/zinc/26/96/22/215269622.db2.gz KIEZCRUUOIBRAE-SJORKVTESA-N 2 0 358.490 0.869 20 0 FCADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333367411 215270996 /nfs/dbraw/zinc/27/09/96/215270996.db2.gz DYATUKKFYKEPRT-GPANFISMSA-N 2 0 361.494 0.149 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501140 215290074 /nfs/dbraw/zinc/29/00/74/215290074.db2.gz FLFOUBPFLITMLL-HZSPNIEDSA-N 2 0 363.428 0.701 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333499463 215290157 /nfs/dbraw/zinc/29/01/57/215290157.db2.gz FFSTTXHBSFSKDI-DZGCQCFKSA-N 2 0 363.428 0.608 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1 ZINC000333637553 215303046 /nfs/dbraw/zinc/30/30/46/215303046.db2.gz WTEKLMDDDZPWDT-DFBGVHRSSA-N 2 0 367.396 0.986 20 0 FCADRP CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000333628665 215303078 /nfs/dbraw/zinc/30/30/78/215303078.db2.gz GFPDYFSICBQPGD-STQMWFEESA-N 2 0 351.417 0.606 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000333659229 215305842 /nfs/dbraw/zinc/30/58/42/215305842.db2.gz LHUZSLPCQZHNGR-KZNAEPCWSA-N 2 0 367.538 0.693 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000333686008 215309016 /nfs/dbraw/zinc/30/90/16/215309016.db2.gz PGMYPCRIQYIAAV-SJORKVTESA-N 2 0 353.511 0.175 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333736717 215314884 /nfs/dbraw/zinc/31/48/84/215314884.db2.gz QPTMPZXCGCIOGG-IAGOWNOFSA-N 2 0 354.495 0.386 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)C[C@H](C)O1 ZINC000333768814 215317787 /nfs/dbraw/zinc/31/77/87/215317787.db2.gz BRTHIMKPFAIHIW-JZXOWHBKSA-N 2 0 368.522 0.896 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000361155466 215381785 /nfs/dbraw/zinc/38/17/85/215381785.db2.gz WMJUOYSTSNRQEM-SFHVURJKSA-N 2 0 367.538 0.519 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000285187943 213299756 /nfs/dbraw/zinc/29/97/56/213299756.db2.gz QKLYLNWEMOTGFV-QGZVFWFLSA-N 2 0 364.490 0.408 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000285187940 213299593 /nfs/dbraw/zinc/29/95/93/213299593.db2.gz QKLYLNWEMOTGFV-KRWDZBQOSA-N 2 0 364.490 0.408 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000284751252 213211706 /nfs/dbraw/zinc/21/17/06/213211706.db2.gz IEHVOUUKRZMXKX-UHFFFAOYSA-N 2 0 358.486 0.412 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000284311413 213108889 /nfs/dbraw/zinc/10/88/89/213108889.db2.gz ZHAHGHTYNMIOJF-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C1CC[NH2+]CC1 ZINC000262512543 209601754 /nfs/dbraw/zinc/60/17/54/209601754.db2.gz NZYUGDRMHHGODA-CYBMUJFWSA-N 2 0 368.503 0.888 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283867486 213023325 /nfs/dbraw/zinc/02/33/25/213023325.db2.gz BUCIDLICSOLBNP-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000283846547 213018538 /nfs/dbraw/zinc/01/85/38/213018538.db2.gz AXADSAKTBXRNLW-INIZCTEOSA-N 2 0 368.453 0.239 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262401868 209583657 /nfs/dbraw/zinc/58/36/57/209583657.db2.gz YQNNKMWZPYECKV-UHFFFAOYSA-N 2 0 361.490 0.723 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367195232 216089818 /nfs/dbraw/zinc/08/98/18/216089818.db2.gz HUOVYOKJKQCTMD-IAGOWNOFSA-N 2 0 355.527 0.232 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367195234 216090519 /nfs/dbraw/zinc/09/05/19/216090519.db2.gz HUOVYOKJKQCTMD-SJORKVTESA-N 2 0 355.527 0.232 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000237862909 209359309 /nfs/dbraw/zinc/35/93/09/209359309.db2.gz PDAYKZVRQQKOGO-KRWDZBQOSA-N 2 0 366.893 0.957 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000237718970 209356349 /nfs/dbraw/zinc/35/63/49/209356349.db2.gz JKANKHRJHDBISE-UHFFFAOYSA-N 2 0 373.545 0.919 20 0 FCADRP C[NH2+]C[C@H](C)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000237299863 209351665 /nfs/dbraw/zinc/35/16/65/209351665.db2.gz LXVKGZAMWPRFJV-AWEZNQCLSA-N 2 0 350.438 0.555 20 0 FCADRP COC(=O)CCNC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368335635 216235435 /nfs/dbraw/zinc/23/54/35/216235435.db2.gz ZHZCCZIXTXSUTL-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048123 216339633 /nfs/dbraw/zinc/33/96/33/216339633.db2.gz SJSDQJMKIVYZHP-BZSNNMDCSA-N 2 0 367.538 0.421 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369344299 216387964 /nfs/dbraw/zinc/38/79/64/216387964.db2.gz PMOUNMZSFZRSKE-XMTFNYHQSA-N 2 0 352.523 0.770 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369344097 216388086 /nfs/dbraw/zinc/38/80/86/216388086.db2.gz PMOUNMZSFZRSKE-MHORFTMASA-N 2 0 352.523 0.770 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396369 216395635 /nfs/dbraw/zinc/39/56/35/216395635.db2.gz XBYPAEXKVKXDTN-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396370 216395973 /nfs/dbraw/zinc/39/59/73/216395973.db2.gz XBYPAEXKVKXDTN-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402717 216396192 /nfs/dbraw/zinc/39/61/92/216396192.db2.gz RWEUJUOMCSQJAJ-HOTGVXAUSA-N 2 0 353.511 0.175 20 0 FCADRP COC[C@@]1(C)NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277428815 212359294 /nfs/dbraw/zinc/35/92/94/212359294.db2.gz BILZCVFLXHWFKM-GOSISDBHSA-N 2 0 361.446 0.551 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122945 209223343 /nfs/dbraw/zinc/22/33/43/209223343.db2.gz QJDILPBXNNZDFA-VQIMIIECSA-N 2 0 354.539 0.909 20 0 FCADRP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435650 674115080 /nfs/dbraw/zinc/11/50/80/674115080.db2.gz BMCSVJAXONEILU-JXDIOVCFSA-N 2 0 353.488 0.850 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000373272058 217003040 /nfs/dbraw/zinc/00/30/40/217003040.db2.gz SINAYUGPAMVCGA-MRXNPFEDSA-N 2 0 368.522 0.992 20 0 FCADRP CN(C[C@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000931482047 674116940 /nfs/dbraw/zinc/11/69/40/674116940.db2.gz ZQNAYTLMULRVOA-KRWDZBQOSA-N 2 0 359.511 0.993 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000931487082 674117255 /nfs/dbraw/zinc/11/72/55/674117255.db2.gz QIKBLNLTJCDVQX-UHFFFAOYSA-N 2 0 357.476 0.101 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)C[NH+]1CCCC1 ZINC000414732229 245317444 /nfs/dbraw/zinc/31/74/44/245317444.db2.gz IJHBIWYEOOPQGW-AWEZNQCLSA-N 2 0 360.458 0.955 20 0 FCADRP CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760191 245321222 /nfs/dbraw/zinc/32/12/22/245321222.db2.gz GONKCNDPZAWQNR-MAUKXSAKSA-N 2 0 355.479 0.475 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000414854936 245324028 /nfs/dbraw/zinc/32/40/28/245324028.db2.gz MHBRZQBCZLBIQH-INIZCTEOSA-N 2 0 362.474 0.554 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000414851458 245325699 /nfs/dbraw/zinc/32/56/99/245325699.db2.gz JKJXJPSIRJHLLQ-YOEHRIQHSA-N 2 0 362.474 0.854 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000414901066 245329674 /nfs/dbraw/zinc/32/96/74/245329674.db2.gz IANJDBHYWZCOQM-GDBMZVCRSA-N 2 0 359.474 0.779 20 0 FCADRP COc1cc(CNC[C@@H]([NH3+])C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000414883118 245330406 /nfs/dbraw/zinc/33/04/06/245330406.db2.gz CPLVTPGPIFYSIK-MRXNPFEDSA-N 2 0 363.458 0.760 20 0 FCADRP [NH3+]CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000415266465 245371459 /nfs/dbraw/zinc/37/14/59/245371459.db2.gz HKKNDKXQBCKJGU-UHFFFAOYSA-N 2 0 361.446 0.515 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000415296336 245380939 /nfs/dbraw/zinc/38/09/39/245380939.db2.gz SGDBWYKRZWRENL-OAHLLOKOSA-N 2 0 362.499 0.776 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000415323110 245385481 /nfs/dbraw/zinc/38/54/81/245385481.db2.gz SZMAAQZWMAQHJE-UHFFFAOYSA-N 2 0 373.501 0.585 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415324408 245386695 /nfs/dbraw/zinc/38/66/95/245386695.db2.gz CGVRIQCRDWNDTF-MRXNPFEDSA-N 2 0 373.501 0.942 20 0 FCADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415325373 245387684 /nfs/dbraw/zinc/38/76/84/245387684.db2.gz INUGZPNRONXBRE-INIZCTEOSA-N 2 0 360.458 0.968 20 0 FCADRP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1)N1CCOCC1 ZINC000415344496 245392333 /nfs/dbraw/zinc/39/23/33/245392333.db2.gz NQEOJOSLXJWNKJ-LSDHHAIUSA-N 2 0 360.458 0.839 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415349913 245396822 /nfs/dbraw/zinc/39/68/22/245396822.db2.gz FBLWTXBENZACLC-MRXNPFEDSA-N 2 0 373.501 0.883 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374171842 217105503 /nfs/dbraw/zinc/10/55/03/217105503.db2.gz KHGRMCVCAFOQRF-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000374602325 217147814 /nfs/dbraw/zinc/14/78/14/217147814.db2.gz OHKWOXXTIUBXAB-SQNIBIBYSA-N 2 0 366.506 0.603 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417363221 245686217 /nfs/dbraw/zinc/68/62/17/245686217.db2.gz AQOCGIXXVXVNEG-ZWKOTPCHSA-N 3 0 372.517 0.845 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418193982 245766969 /nfs/dbraw/zinc/76/69/69/245766969.db2.gz DAOADYWSUYMTLM-STQMWFEESA-N 2 0 353.433 0.850 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418622128 245807955 /nfs/dbraw/zinc/80/79/55/245807955.db2.gz UZLNKEMKZOZVFK-JHJVBQTASA-N 2 0 351.417 0.639 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652223 674127301 /nfs/dbraw/zinc/12/73/01/674127301.db2.gz NXJPTCZXJVETNA-ZIAGYGMSSA-N 2 0 368.598 0.923 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)c1 ZINC000418861063 245872979 /nfs/dbraw/zinc/87/29/79/245872979.db2.gz MIBHGBHAHZOBJT-UXLLHSPISA-N 2 0 360.458 0.092 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000419003833 245938720 /nfs/dbraw/zinc/93/87/20/245938720.db2.gz DKMYNNKLOBYAJH-QGZVFWFLSA-N 2 0 360.458 0.085 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131312 246006026 /nfs/dbraw/zinc/00/60/26/246006026.db2.gz CKGGTTGAAGCUIN-HUUCEWRRSA-N 2 0 364.515 0.897 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419129240 246005323 /nfs/dbraw/zinc/00/53/23/246005323.db2.gz XVVORAIXVCBTKQ-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000419154954 246020027 /nfs/dbraw/zinc/02/00/27/246020027.db2.gz QYZHJGQZTICOOC-UHFFFAOYSA-N 2 0 350.507 0.897 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000419157648 246022686 /nfs/dbraw/zinc/02/26/86/246022686.db2.gz VOGKPBKWQOYILT-QGZVFWFLSA-N 2 0 368.522 0.355 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NCc2nccn2CCc2ccccc2)CC1 ZINC000419160053 246024803 /nfs/dbraw/zinc/02/48/03/246024803.db2.gz YFXJMHDXROLWGS-UHFFFAOYSA-N 2 0 369.469 0.939 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419135152 246008524 /nfs/dbraw/zinc/00/85/24/246008524.db2.gz KSKCWRLRLFLACX-XWTMOSNGSA-N 2 0 358.486 0.929 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419137120 246010499 /nfs/dbraw/zinc/01/04/99/246010499.db2.gz QDQWGUQXZNPVIQ-KURKYZTESA-N 2 0 356.470 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419140786 246012389 /nfs/dbraw/zinc/01/23/89/246012389.db2.gz WCRYCHNVBNUPRX-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419150193 246016972 /nfs/dbraw/zinc/01/69/72/246016972.db2.gz KWJMXCVWINSCJA-ZACQAIPSSA-N 2 0 350.507 0.539 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165928 246028008 /nfs/dbraw/zinc/02/80/08/246028008.db2.gz GXEBZZSMOFNLON-MOPGFXCFSA-N 2 0 372.513 0.878 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166131 246028622 /nfs/dbraw/zinc/02/86/22/246028622.db2.gz ONPAHIFOOLZWJD-MSOLQXFVSA-N 2 0 374.485 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169102 246030063 /nfs/dbraw/zinc/03/00/63/246030063.db2.gz UFLORPHMBYKQIV-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419170573 246032542 /nfs/dbraw/zinc/03/25/42/246032542.db2.gz NWIZKTUCAFQYAG-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000419178763 246036788 /nfs/dbraw/zinc/03/67/88/246036788.db2.gz GYAVIOWZHDSXPQ-SJORKVTESA-N 2 0 366.506 0.476 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000419180209 246038059 /nfs/dbraw/zinc/03/80/59/246038059.db2.gz ADZCTFFHSIAAOM-INIZCTEOSA-N 2 0 362.449 0.856 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000419178762 246038314 /nfs/dbraw/zinc/03/83/14/246038314.db2.gz GYAVIOWZHDSXPQ-IRXDYDNUSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419183096 246039691 /nfs/dbraw/zinc/03/96/91/246039691.db2.gz DFUFSLWNKPNTEZ-CQSZACIVSA-N 2 0 362.449 0.727 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000419186910 246040832 /nfs/dbraw/zinc/04/08/32/246040832.db2.gz FIZCEWNCSNSRGG-RDJZCZTQSA-N 2 0 362.474 0.118 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419195721 246045383 /nfs/dbraw/zinc/04/53/83/246045383.db2.gz VRSLTLLLCUABPZ-QGZVFWFLSA-N 2 0 362.449 0.856 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419219581 246062664 /nfs/dbraw/zinc/06/26/64/246062664.db2.gz UDHGZWNPTSTANJ-SOUVJXGZSA-N 2 0 362.474 0.375 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419223447 246062805 /nfs/dbraw/zinc/06/28/05/246062805.db2.gz CYOBNQLIYGSBQM-NJAFHUGGSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419224470 246064197 /nfs/dbraw/zinc/06/41/97/246064197.db2.gz FMXANBRUTBCMER-YOEHRIQHSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225458 246064891 /nfs/dbraw/zinc/06/48/91/246064891.db2.gz HBQNBHJRRBVQDW-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419195138 246046951 /nfs/dbraw/zinc/04/69/51/246046951.db2.gz UPVCWOZUHASTOI-SFHVURJKSA-N 2 0 360.502 0.909 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000419199593 246048367 /nfs/dbraw/zinc/04/83/67/246048367.db2.gz DTDVRFORKXRVRH-RHSMWYFYSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419197688 246048931 /nfs/dbraw/zinc/04/89/31/246048931.db2.gz BXJZVVHXTKPBPJ-GJZGRUSLSA-N 2 0 362.474 0.452 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419198611 246049231 /nfs/dbraw/zinc/04/92/31/246049231.db2.gz CVTUQDYPTBOGSP-SJLPKXTDSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000419202306 246051775 /nfs/dbraw/zinc/05/17/75/246051775.db2.gz GZTVIMRYUOBTEJ-CABCVRRESA-N 2 0 362.474 0.452 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205943 246052093 /nfs/dbraw/zinc/05/20/93/246052093.db2.gz JXLVNHYPEXIWIG-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419240220 246073121 /nfs/dbraw/zinc/07/31/21/246073121.db2.gz QYSONUHJHDJJMT-DZGCQCFKSA-N 2 0 354.495 0.596 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCC1 ZINC000419243679 246075411 /nfs/dbraw/zinc/07/54/11/246075411.db2.gz SVRZCUORZMNSPK-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329509 246099888 /nfs/dbraw/zinc/09/98/88/246099888.db2.gz GPNPAAFLOHSXLU-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329485 246100753 /nfs/dbraw/zinc/10/07/53/246100753.db2.gz GJYVIBDYPFAKLL-RNJTYBCJSA-N 2 0 356.470 0.539 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000419303705 246091549 /nfs/dbraw/zinc/09/15/49/246091549.db2.gz IKHCTRWFIQAJNX-HNNXBMFYSA-N 2 0 359.474 0.899 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419362165 246118084 /nfs/dbraw/zinc/11/80/84/246118084.db2.gz BGCCWAZHHQDVEJ-YOEHRIQHSA-N 2 0 358.486 0.398 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419370480 246122154 /nfs/dbraw/zinc/12/21/54/246122154.db2.gz JPOUNNQGLHMESE-IAGOWNOFSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419370482 246123160 /nfs/dbraw/zinc/12/31/60/246123160.db2.gz JPOUNNQGLHMESE-SJORKVTESA-N 2 0 352.523 0.975 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419376334 246124782 /nfs/dbraw/zinc/12/47/82/246124782.db2.gz RZDTXDAOMVHLND-UHFFFAOYSA-N 2 0 360.502 0.645 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381546 246125313 /nfs/dbraw/zinc/12/53/13/246125313.db2.gz YIUKBCPZELHTEA-IAGOWNOFSA-N 2 0 358.486 0.588 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@H]1C[NH3+] ZINC000419391737 246129159 /nfs/dbraw/zinc/12/91/59/246129159.db2.gz KFYLSPNXNMYRBB-QAPCUYQASA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419361637 246117410 /nfs/dbraw/zinc/11/74/10/246117410.db2.gz BDUCTWRRIUQDOI-CRAIPNDOSA-N 2 0 372.513 0.645 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419414189 246146618 /nfs/dbraw/zinc/14/66/18/246146618.db2.gz SZBRCCILANBRRV-OAGGEKHMSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000419401392 246137653 /nfs/dbraw/zinc/13/76/53/246137653.db2.gz BARWZSRFRXLEFO-MAUKXSAKSA-N 2 0 350.438 0.742 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404534 246139267 /nfs/dbraw/zinc/13/92/67/246139267.db2.gz TXRJKYYWXLIKRN-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCO1 ZINC000419417019 246150741 /nfs/dbraw/zinc/15/07/41/246150741.db2.gz HPROIHAXEHDVIT-MSOLQXFVSA-N 2 0 374.485 0.516 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409191 246142872 /nfs/dbraw/zinc/14/28/72/246142872.db2.gz DTRLBMYAWNUULY-USXIJHARSA-N 2 0 362.474 0.246 20 0 FCADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419410580 246144326 /nfs/dbraw/zinc/14/43/26/246144326.db2.gz APWZISIYATYQFV-KSZLIROESA-N 2 0 356.470 0.618 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000419411990 246144449 /nfs/dbraw/zinc/14/44/49/246144449.db2.gz QHMUZUBAKGKTLW-XJKSGUPXSA-N 2 0 350.438 0.660 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000419420346 246154416 /nfs/dbraw/zinc/15/44/16/246154416.db2.gz ZYANQZBWKPZJJT-NEWSRXKRSA-N 2 0 370.497 0.760 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419425775 246156178 /nfs/dbraw/zinc/15/61/78/246156178.db2.gz PRWTXIQMTQSEET-UHFFFAOYSA-N 2 0 370.497 0.977 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419425343 246156366 /nfs/dbraw/zinc/15/63/66/246156366.db2.gz PJEAEAHTFBXBQB-MAUKXSAKSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419425345 246157139 /nfs/dbraw/zinc/15/71/39/246157139.db2.gz PJEAEAHTFBXBQB-YJBOKZPZSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430821 246158057 /nfs/dbraw/zinc/15/80/57/246158057.db2.gz WEEGFLNAKLGMAT-CRAIPNDOSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430823 246159515 /nfs/dbraw/zinc/15/95/15/246159515.db2.gz WEEGFLNAKLGMAT-QAPCUYQASA-N 2 0 358.486 0.808 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000419419619 246151203 /nfs/dbraw/zinc/15/12/03/246151203.db2.gz ZIWUIFTVXTYAIV-INIZCTEOSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000419417626 246153157 /nfs/dbraw/zinc/15/31/57/246153157.db2.gz XHYNAOJWNPJIKD-IOASZLSFSA-N 2 0 350.438 0.753 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419504503 246182404 /nfs/dbraw/zinc/18/24/04/246182404.db2.gz GSYLDPSFLYTAJQ-IPMKNSEASA-N 2 0 370.497 0.693 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419505006 246183668 /nfs/dbraw/zinc/18/36/68/246183668.db2.gz IGSLMEPPROMQMP-CQSZACIVSA-N 2 0 354.401 0.335 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000419502696 246183701 /nfs/dbraw/zinc/18/37/01/246183701.db2.gz BONCTUAZKUDUQW-KRWDZBQOSA-N 2 0 358.486 0.835 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000419509062 246184990 /nfs/dbraw/zinc/18/49/90/246184990.db2.gz FBOZGXJQOGKAQF-INIZCTEOSA-N 2 0 361.490 0.087 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419514625 246187893 /nfs/dbraw/zinc/18/78/93/246187893.db2.gz PDTIUJOEPBRANO-KRWDZBQOSA-N 2 0 373.501 0.101 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419525586 246192214 /nfs/dbraw/zinc/19/22/14/246192214.db2.gz ROJPYLWKDXMBQL-UKPHBRMFSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419475542 246176668 /nfs/dbraw/zinc/17/66/68/246176668.db2.gz FAPAYYIOSXCPCD-BRWVUGGUSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475413 246176868 /nfs/dbraw/zinc/17/68/68/246176868.db2.gz DQQCXVQDZWPOED-BZUAXINKSA-N 2 0 368.522 0.844 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419475485 246177006 /nfs/dbraw/zinc/17/70/06/246177006.db2.gz DVFJTKCHJRRSRK-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419479843 246178925 /nfs/dbraw/zinc/17/89/25/246178925.db2.gz MAJLVARFLGGUAA-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419586244 246211683 /nfs/dbraw/zinc/21/16/83/246211683.db2.gz MPJWNYFFBADYCL-INMHGKMJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000419586243 246211828 /nfs/dbraw/zinc/21/18/28/246211828.db2.gz MPJWNYFFBADYCL-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[N@H+](C)C1CC1 ZINC000419587734 246212780 /nfs/dbraw/zinc/21/27/80/246212780.db2.gz NSPOQMCPFXCYAC-XYPHTWIQSA-N 2 0 366.506 0.330 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000419528059 246193648 /nfs/dbraw/zinc/19/36/48/246193648.db2.gz VYEXRATZWJCTTF-SJORKVTESA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419534174 246194246 /nfs/dbraw/zinc/19/42/46/246194246.db2.gz PYAQFHZNDYJCCX-PLMTUMEDSA-N 2 0 370.497 0.835 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000419548492 246200061 /nfs/dbraw/zinc/20/00/61/246200061.db2.gz TVWNEWDDCFZFRD-KRWDZBQOSA-N 2 0 362.474 0.244 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624754 246222265 /nfs/dbraw/zinc/22/22/65/246222265.db2.gz AKJQNELCPVQNJR-BBRMVZONSA-N 2 0 362.474 0.594 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649697 246230014 /nfs/dbraw/zinc/23/00/14/246230014.db2.gz UIGMHOWLXIJIAZ-SWLSCSKDSA-N 2 0 352.479 0.206 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419717889 246268880 /nfs/dbraw/zinc/26/88/80/246268880.db2.gz CILJPRZJYJUROC-QZTJIDSGSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000419663207 246236091 /nfs/dbraw/zinc/23/60/91/246236091.db2.gz PVHMXUGOAQAMMU-GDAAHCPNSA-N 2 0 370.497 0.834 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419664650 246237170 /nfs/dbraw/zinc/23/71/70/246237170.db2.gz MMVMLYKUQFKZOD-JKSUJKDBSA-N 2 0 359.474 0.800 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665154 246237468 /nfs/dbraw/zinc/23/74/68/246237468.db2.gz SXPWAVCIYHKDOC-LZLYRXPVSA-N 2 0 358.486 0.976 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000419671817 246239905 /nfs/dbraw/zinc/23/99/05/246239905.db2.gz YZWVFWDKAGGVCZ-UHFFFAOYSA-N 2 0 359.474 0.625 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000419672467 246240747 /nfs/dbraw/zinc/24/07/47/246240747.db2.gz IDQBBMWPDGZKFA-INIZCTEOSA-N 2 0 366.506 0.335 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419673130 246241209 /nfs/dbraw/zinc/24/12/09/246241209.db2.gz BPSUSSHUEOVSRY-QGZVFWFLSA-N 2 0 368.547 0.662 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419679015 246245493 /nfs/dbraw/zinc/24/54/93/246245493.db2.gz FOPAYSDMCBDYSM-CQSZACIVSA-N 2 0 354.520 0.332 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419690621 246251720 /nfs/dbraw/zinc/25/17/20/246251720.db2.gz LCGPHGJOUILUII-AWEZNQCLSA-N 2 0 354.520 0.414 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000419689571 246252025 /nfs/dbraw/zinc/25/20/25/246252025.db2.gz JFPSVPBZSRQYMR-CABCVRRESA-N 2 0 368.547 0.721 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419697268 246255619 /nfs/dbraw/zinc/25/56/19/246255619.db2.gz WEQYREZXKYKPKQ-LSDHHAIUSA-N 2 0 368.547 0.708 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000419703294 246259927 /nfs/dbraw/zinc/25/99/27/246259927.db2.gz DEBFMKGQMQUZAX-RANZSIQMSA-N 2 0 356.470 0.586 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419710876 246264319 /nfs/dbraw/zinc/26/43/19/246264319.db2.gz RFEFTKAGPJOMPJ-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717418 246267293 /nfs/dbraw/zinc/26/72/93/246267293.db2.gz BFQYTZXSMLNYDG-AAEUAGOBSA-N 2 0 354.495 0.641 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000419717982 246267974 /nfs/dbraw/zinc/26/79/74/246267974.db2.gz ACWSEFNPTYLZRH-ARFHVFGLSA-N 2 0 352.479 0.084 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419755429 246282844 /nfs/dbraw/zinc/28/28/44/246282844.db2.gz DAQXJQHTUBQNFL-UHFFFAOYSA-N 2 0 352.454 0.817 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419754078 246284703 /nfs/dbraw/zinc/28/47/03/246284703.db2.gz AWLWBHSCWLEFHN-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757886 246285592 /nfs/dbraw/zinc/28/55/92/246285592.db2.gz JFVMFMGIAQMSJU-UKRRQHHQSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755977 246285933 /nfs/dbraw/zinc/28/59/33/246285933.db2.gz ADRWVJJFQCIDCD-CRAIPNDOSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000419758259 246286011 /nfs/dbraw/zinc/28/60/11/246286011.db2.gz JTDAMSFEGNFSMM-CJNGLKHVSA-N 2 0 350.438 0.569 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419761947 246289001 /nfs/dbraw/zinc/28/90/01/246289001.db2.gz QQJHBRKCUZQODF-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])Cc1ccc(F)cc1 ZINC000419765336 246291829 /nfs/dbraw/zinc/29/18/29/246291829.db2.gz WZJGDWPUFUSJMS-MRXNPFEDSA-N 2 0 350.438 0.714 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419771521 246292058 /nfs/dbraw/zinc/29/20/58/246292058.db2.gz XSOHOMBHNVKKCX-ZWKOTPCHSA-N 2 0 358.486 0.867 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000419799977 246300321 /nfs/dbraw/zinc/30/03/21/246300321.db2.gz GIGSAIOIBNMABK-MRXNPFEDSA-N 2 0 365.522 0.003 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000419805301 246302072 /nfs/dbraw/zinc/30/20/72/246302072.db2.gz DIMZNIMHFSBVRL-CRAIPNDOSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCCC[NH3+] ZINC000419831070 246309401 /nfs/dbraw/zinc/30/94/01/246309401.db2.gz LCBBWPQCURRKOT-UHFFFAOYSA-N 2 0 356.417 0.710 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCCC[NH3+] ZINC000419834842 246312737 /nfs/dbraw/zinc/31/27/37/246312737.db2.gz UFFGHHDNDJDJEI-UHFFFAOYSA-N 2 0 356.417 0.710 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419854108 246324017 /nfs/dbraw/zinc/32/40/17/246324017.db2.gz GBWBOFSUEQIWQE-CGZBRXJRSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419921743 246370649 /nfs/dbraw/zinc/37/06/49/246370649.db2.gz YLHVLRWVJXVYKX-HNNXBMFYSA-N 2 0 364.465 0.832 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419892122 246354935 /nfs/dbraw/zinc/35/49/35/246354935.db2.gz NWMDINNXLZRMQL-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419900126 246359962 /nfs/dbraw/zinc/35/99/62/246359962.db2.gz QKECJIZRPXIMFI-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419900852 246360718 /nfs/dbraw/zinc/36/07/18/246360718.db2.gz RVCOJEKSZIJZRB-FGTMMUONSA-N 2 0 356.470 0.445 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419907414 246361879 /nfs/dbraw/zinc/36/18/79/246361879.db2.gz FRUOOSLNYWDAGH-CALCHBBNSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419907809 246363544 /nfs/dbraw/zinc/36/35/44/246363544.db2.gz XUZSSQSUTHHELC-KLHDSHLOSA-N 2 0 354.495 0.106 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419958140 246387842 /nfs/dbraw/zinc/38/78/42/246387842.db2.gz USHWUUKQXIPCHH-ZDUSSCGKSA-N 2 0 370.444 0.827 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419962626 246391213 /nfs/dbraw/zinc/39/12/13/246391213.db2.gz VLRSZVWKVZWQGN-HNNXBMFYSA-N 2 0 354.495 0.048 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420087430 246458027 /nfs/dbraw/zinc/45/80/27/246458027.db2.gz PQFLRCNMQZWHJJ-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420153574 246499434 /nfs/dbraw/zinc/49/94/34/246499434.db2.gz ZZJSNHRLDKSGAC-QAPCUYQASA-N 2 0 373.501 0.871 20 0 FCADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420297657 246540471 /nfs/dbraw/zinc/54/04/71/246540471.db2.gz RIZJEJKSBJNROO-MAUKXSAKSA-N 2 0 358.486 0.747 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423364151 247013965 /nfs/dbraw/zinc/01/39/65/247013965.db2.gz ATYVIUTYZOTETJ-SJLPKXTDSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000423390006 247017688 /nfs/dbraw/zinc/01/76/88/247017688.db2.gz VNHOYJBYIJVXKO-BBWFWOEESA-N 2 0 366.506 0.001 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423236981 246982599 /nfs/dbraw/zinc/98/25/99/246982599.db2.gz HSMFCOMSTYHUHC-HDICACEKSA-N 2 0 358.486 0.775 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423558479 247051779 /nfs/dbraw/zinc/05/17/79/247051779.db2.gz NSWYDWQAYNSRIF-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423569686 247057255 /nfs/dbraw/zinc/05/72/55/247057255.db2.gz SGYPVDJIRDFICM-ZBFHGGJFSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423431114 247026314 /nfs/dbraw/zinc/02/63/14/247026314.db2.gz AKXYVFKWFZJNMG-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423496902 247038043 /nfs/dbraw/zinc/03/80/43/247038043.db2.gz FUBDMSVYUDQTNJ-UXLLHSPISA-N 2 0 366.506 0.284 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423498580 247038365 /nfs/dbraw/zinc/03/83/65/247038365.db2.gz IFZMTRFTIBXEKH-HOTGVXAUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000423612785 247075261 /nfs/dbraw/zinc/07/52/61/247075261.db2.gz UVPKFQBGXREOSE-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423609914 247075875 /nfs/dbraw/zinc/07/58/75/247075875.db2.gz MDVGXVOSKLFZSA-HOTGVXAUSA-N 2 0 364.515 0.706 20 0 FCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423641815 247087224 /nfs/dbraw/zinc/08/72/24/247087224.db2.gz HUBQVFLBBOFEBC-QGZVFWFLSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423648351 247093416 /nfs/dbraw/zinc/09/34/16/247093416.db2.gz ZSLZAOBYFKGWKX-UWJYYQICSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423653346 247094698 /nfs/dbraw/zinc/09/46/98/247094698.db2.gz OTFVLNUNIHWNKF-LSDHHAIUSA-N 2 0 350.463 0.756 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@H]21 ZINC000423666509 247101037 /nfs/dbraw/zinc/10/10/37/247101037.db2.gz MJAPGXPHTNAZCB-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771365 247139902 /nfs/dbraw/zinc/13/99/02/247139902.db2.gz FVZUSZWEJWFNQX-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775936 247141723 /nfs/dbraw/zinc/14/17/23/247141723.db2.gz PVGBYDQWYMNESS-GJZGRUSLSA-N 2 0 352.866 0.927 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423788625 247141737 /nfs/dbraw/zinc/14/17/37/247141737.db2.gz YALSVJSUDFFOHM-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423778583 247142414 /nfs/dbraw/zinc/14/24/14/247142414.db2.gz SZWAYCVHSKOPKW-OAHLLOKOSA-N 2 0 352.504 0.897 20 0 FCADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423829561 247144744 /nfs/dbraw/zinc/14/47/44/247144744.db2.gz TXVONPXJKGGYCI-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+]C1(CNC(=O)Cn2ccccc2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000424024752 247160650 /nfs/dbraw/zinc/16/06/50/247160650.db2.gz XWAYIPKEMWWHGK-UHFFFAOYSA-N 2 0 354.454 0.958 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703609 247116099 /nfs/dbraw/zinc/11/60/99/247116099.db2.gz CEUUPKHWTMRTLE-QZTJIDSGSA-N 2 0 358.486 0.645 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423713819 247119465 /nfs/dbraw/zinc/11/94/65/247119465.db2.gz WNJLFGWXNRQRMG-KURKYZTESA-N 2 0 356.470 0.527 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423718112 247124697 /nfs/dbraw/zinc/12/46/97/247124697.db2.gz BXUNYEDGRIWERW-IXDOHACOSA-N 2 0 362.449 0.631 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@@H]1C[NH3+] ZINC000423728532 247129157 /nfs/dbraw/zinc/12/91/57/247129157.db2.gz JVDDJEKGUADFLJ-DOTOQJQBSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423730589 247130911 /nfs/dbraw/zinc/13/09/11/247130911.db2.gz LIVCPDJZLDTXJQ-ZBFHGGJFSA-N 2 0 350.463 0.756 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@H]1C[NH3+] ZINC000423741751 247135142 /nfs/dbraw/zinc/13/51/42/247135142.db2.gz SWXWNXRRLNJSSC-HOCLYGCPSA-N 2 0 354.495 0.141 20 0 FCADRP Cn1cc([C@@H]2CN(CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424291547 247194814 /nfs/dbraw/zinc/19/48/14/247194814.db2.gz MGKFSSLSFYPCNR-OTWHNJEPSA-N 2 0 370.501 0.566 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282772 247195093 /nfs/dbraw/zinc/19/50/93/247195093.db2.gz AKEPIQNWZWISGH-CYBMUJFWSA-N 2 0 363.462 0.999 20 0 FCADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424295085 247195954 /nfs/dbraw/zinc/19/59/54/247195954.db2.gz QQDOATHSYSPGJK-ZDUSSCGKSA-N 2 0 366.487 0.737 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424518222 247249203 /nfs/dbraw/zinc/24/92/03/247249203.db2.gz HNWGYTJXOLYAFS-OKZBNKHCSA-N 2 0 356.470 0.573 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC000424549322 247259761 /nfs/dbraw/zinc/25/97/61/247259761.db2.gz MBOZPKUDNCVKDP-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1CCN(Cc2cnc(N(C)C)n2C)CC1 ZINC000425323273 247323748 /nfs/dbraw/zinc/32/37/48/247323748.db2.gz IUBWQALGXJYTGH-OAHLLOKOSA-N 2 0 366.510 0.145 20 0 FCADRP c1cn([C@@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@@H](n4ccnn4)C3)C2)nn1 ZINC000425500946 247346729 /nfs/dbraw/zinc/34/67/29/247346729.db2.gz DSELMAYSNOSXOW-QZTJIDSGSA-N 2 0 374.493 0.860 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166942 247845467 /nfs/dbraw/zinc/84/54/67/247845467.db2.gz YVPOCJKUYCMSKT-UHFFFAOYSA-N 3 0 367.538 0.202 20 0 FCADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc21 ZINC000438883243 248099316 /nfs/dbraw/zinc/09/93/16/248099316.db2.gz BYTHHLUCHXEBPA-HNNXBMFYSA-N 2 0 366.487 0.903 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000439131706 248110947 /nfs/dbraw/zinc/11/09/47/248110947.db2.gz IHHBOCBJEKVNSV-NVXWUHKLSA-N 2 0 361.552 0.995 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000440940339 248223645 /nfs/dbraw/zinc/22/36/45/248223645.db2.gz GSEVVJJFERWREZ-RBSFLKMASA-N 2 0 351.495 0.498 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630464 248333607 /nfs/dbraw/zinc/33/36/07/248333607.db2.gz JXCCLMQOVTVXTC-DOTOQJQBSA-N 2 0 367.538 0.911 20 0 FCADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444254986 248353930 /nfs/dbraw/zinc/35/39/30/248353930.db2.gz WMSWYCYXMDZLLK-KSZLIROESA-N 2 0 354.539 0.754 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000446368345 248387596 /nfs/dbraw/zinc/38/75/96/248387596.db2.gz DZQLBNWYBHEZFT-DOTOQJQBSA-N 2 0 353.438 0.960 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCC1 ZINC000446619959 248392606 /nfs/dbraw/zinc/39/26/06/248392606.db2.gz LEUHEXKUTJGHLS-UHFFFAOYSA-N 2 0 355.527 0.160 20 0 FCADRP CC1[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000449844437 248468794 /nfs/dbraw/zinc/46/87/94/248468794.db2.gz WIWKPBTUIRLJSN-WNRNVDISSA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCO1 ZINC000453708028 249357755 /nfs/dbraw/zinc/35/77/55/249357755.db2.gz BQKLVTAEWZXNSQ-AEFFLSMTSA-N 2 0 374.485 0.963 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453641542 249349908 /nfs/dbraw/zinc/34/99/08/249349908.db2.gz IURJHXSXCOVBIE-QGZVFWFLSA-N 2 0 362.474 0.868 20 0 FCADRP C[NH+]1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000270973648 211310238 /nfs/dbraw/zinc/31/02/38/211310238.db2.gz KENYMQUONPNKIA-GJZGRUSLSA-N 2 0 362.474 0.857 20 0 FCADRP C[NH+]1CCN(CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000270851882 211282865 /nfs/dbraw/zinc/28/28/65/211282865.db2.gz KDJDCYRZFBKDJV-UHFFFAOYSA-N 2 0 374.529 0.868 20 0 FCADRP [NH3+]CC(=O)NCC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000470458116 250045151 /nfs/dbraw/zinc/04/51/51/250045151.db2.gz BTHNXQLTBOIJAH-UHFFFAOYSA-N 2 0 361.446 0.515 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470738363 250058753 /nfs/dbraw/zinc/05/87/53/250058753.db2.gz UTAINTIACAFFHB-INIZCTEOSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000471650803 250114281 /nfs/dbraw/zinc/11/42/81/250114281.db2.gz WYJQXIAMKMZPPQ-MSOLQXFVSA-N 2 0 364.490 0.499 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000472668115 250171496 /nfs/dbraw/zinc/17/14/96/250171496.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 0 369.510 0.886 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000472978543 250192142 /nfs/dbraw/zinc/19/21/42/250192142.db2.gz NXNOMILXLRWFSX-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000480887372 250292035 /nfs/dbraw/zinc/29/20/35/250292035.db2.gz WDUYXZWMOBOEAC-HNNXBMFYSA-N 2 0 356.511 0.308 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCN(C)CC1 ZINC000481018336 250309433 /nfs/dbraw/zinc/30/94/33/250309433.db2.gz DPZINDSRKNULCE-FUHWJXTLSA-N 2 0 371.595 0.995 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000481162266 250318993 /nfs/dbraw/zinc/31/89/93/250318993.db2.gz CCSWSPWIOMLSNF-TVFCKZIOSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000481200141 250322015 /nfs/dbraw/zinc/32/20/15/250322015.db2.gz OZCKBLXLPQMUJA-OAGGEKHMSA-N 2 0 361.490 0.973 20 0 FCADRP C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000481635567 250347481 /nfs/dbraw/zinc/34/74/81/250347481.db2.gz UQRZDDMXURPIMI-BPUTZDHNSA-N 2 0 353.511 0.839 20 0 FCADRP CN1CCC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000481290036 250330827 /nfs/dbraw/zinc/33/08/27/250330827.db2.gz JEVJLONRSFAWBF-KRWDZBQOSA-N 2 0 374.489 0.514 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000269272729 210941946 /nfs/dbraw/zinc/94/19/46/210941946.db2.gz UEBWSOBURUPMOI-OAHLLOKOSA-N 2 0 352.504 0.675 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500443627 250815117 /nfs/dbraw/zinc/81/51/17/250815117.db2.gz QHPGWGLKAWVJIG-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413586415 532992003 /nfs/dbraw/zinc/99/20/03/532992003.db2.gz PQIPVEABMXICKT-CQSZACIVSA-N 2 0 372.535 0.560 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000413188902 532993887 /nfs/dbraw/zinc/99/38/87/532993887.db2.gz VJYSRQUSZSUPFV-HZPDHXFCSA-N 2 0 354.495 0.853 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077569911 208073591 /nfs/dbraw/zinc/07/35/91/208073591.db2.gz NTBARGAOCPWCNF-MRXNPFEDSA-N 2 0 356.511 0.755 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000105326731 208196516 /nfs/dbraw/zinc/19/65/16/208196516.db2.gz QWYCHFSYJIXPNG-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000119817868 208368990 /nfs/dbraw/zinc/36/89/90/208368990.db2.gz FWIZYXFUUIIVRU-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000118093829 208349207 /nfs/dbraw/zinc/34/92/07/208349207.db2.gz UBWHYWVOBGBTBB-UHFFFAOYSA-N 2 0 350.488 0.852 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118108769 208349571 /nfs/dbraw/zinc/34/95/71/208349571.db2.gz DFOLAQSEVVHUPY-UHFFFAOYSA-N 2 0 361.490 0.440 20 0 FCADRP Cn1c2ncn(CC[NH+]3CCC(CC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000118868271 208352083 /nfs/dbraw/zinc/35/20/83/208352083.db2.gz UWDCTGLWAUIRPG-UHFFFAOYSA-N 2 0 362.478 0.097 20 0 FCADRP C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NCC[NH+]1CCCCC1 ZINC000412315789 533072631 /nfs/dbraw/zinc/07/26/31/533072631.db2.gz CBOKXGMFSYCKDT-CABCVRRESA-N 2 0 356.536 0.531 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000131876013 208661970 /nfs/dbraw/zinc/66/19/70/208661970.db2.gz ZDUZEYQNKRFMIG-IBGZPJMESA-N 2 0 364.490 0.896 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000176603883 209005818 /nfs/dbraw/zinc/00/58/18/209005818.db2.gz HRIYTTBCXFGFLZ-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H](C)O1 ZINC000177343068 209022001 /nfs/dbraw/zinc/02/20/01/209022001.db2.gz WGJZYAAQEVGVTN-IRXDYDNUSA-N 2 0 368.522 0.992 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000410173007 533493762 /nfs/dbraw/zinc/49/37/62/533493762.db2.gz VUZRQZDMHZIELF-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410441117 230080756 /nfs/dbraw/zinc/08/07/56/230080756.db2.gz XZYIXYOZFAHOFP-LPHOPBHVSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410441382 230081674 /nfs/dbraw/zinc/08/16/74/230081674.db2.gz YIBHAPBCFIVETP-QGZVFWFLSA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCOCC1 ZINC000507049998 484084774 /nfs/dbraw/zinc/08/47/74/484084774.db2.gz HDCBRQRFLKFQLS-UHFFFAOYSA-N 2 0 372.429 0.433 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)ccn2)CC1 ZINC000279089940 488915972 /nfs/dbraw/zinc/91/59/72/488915972.db2.gz WENLBCDXSAHYHW-OAHLLOKOSA-N 2 0 369.473 0.563 20 0 FCADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000562805128 491190621 /nfs/dbraw/zinc/19/06/21/491190621.db2.gz YDCVNFZOOJLEMQ-ZWKOTPCHSA-N 2 0 356.470 0.371 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959590 488152757 /nfs/dbraw/zinc/15/27/57/488152757.db2.gz SEZCGZSOMSMSFM-HNNXBMFYSA-N 2 0 366.506 0.143 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051958611 488153046 /nfs/dbraw/zinc/15/30/46/488153046.db2.gz RYDZAUDRBTXFMB-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000569793381 491191600 /nfs/dbraw/zinc/19/16/00/491191600.db2.gz LUNIBGUFMLUXCL-CQSZACIVSA-N 2 0 363.428 0.749 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000562828764 491194020 /nfs/dbraw/zinc/19/40/20/491194020.db2.gz LYHOKBFUQRMSNN-INIZCTEOSA-N 2 0 350.438 0.660 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028936 488370391 /nfs/dbraw/zinc/37/03/91/488370391.db2.gz GCIVXXBJWZIJSM-WBVHZDCISA-N 2 0 366.506 0.143 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000073378156 488384328 /nfs/dbraw/zinc/38/43/28/488384328.db2.gz LBPAIGCCXDJIQJ-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152714 488387891 /nfs/dbraw/zinc/38/78/91/488387891.db2.gz LNMWDXPJOOXREK-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000074188026 488388335 /nfs/dbraw/zinc/38/83/35/488388335.db2.gz HIENNLSYQAAEKE-RDJZCZTQSA-N 2 0 364.465 0.955 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000074188031 488388757 /nfs/dbraw/zinc/38/87/57/488388757.db2.gz HIENNLSYQAAEKE-DOTOQJQBSA-N 2 0 364.465 0.955 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000074658610 488393240 /nfs/dbraw/zinc/39/32/40/488393240.db2.gz VHGKNAFBNUCLSA-KRWDZBQOSA-N 2 0 351.539 0.997 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184511099 488396899 /nfs/dbraw/zinc/39/68/99/488396899.db2.gz IQSWCCYCLXGLOD-AEFFLSMTSA-N 2 0 354.539 0.922 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335640 491195223 /nfs/dbraw/zinc/19/52/23/491195223.db2.gz ZCZAQQJLLBQKSQ-QAPCUYQASA-N 2 0 372.513 0.801 20 0 FCADRP C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682495 488402578 /nfs/dbraw/zinc/40/25/78/488402578.db2.gz VBSIAQJDIYCZME-HUUCEWRRSA-N 2 0 369.535 0.941 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000186777875 488407908 /nfs/dbraw/zinc/40/79/08/488407908.db2.gz HPYYWJRTATUWAQ-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554342638 491196704 /nfs/dbraw/zinc/19/67/04/491196704.db2.gz BTTJJMVTXOTNDQ-KRWDZBQOSA-N 2 0 369.554 0.175 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000077760417 488417249 /nfs/dbraw/zinc/41/72/49/488417249.db2.gz BWCMIFNJMOVQQQ-KRWDZBQOSA-N 2 0 370.538 0.879 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191480100 488419984 /nfs/dbraw/zinc/41/99/84/488419984.db2.gz VMBIROOGCMQTKT-UHFFFAOYSA-N 3 0 367.582 0.889 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193692383 488429164 /nfs/dbraw/zinc/42/91/64/488429164.db2.gz MOWPECWLHZHMLM-UHFFFAOYSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000081248113 488440446 /nfs/dbraw/zinc/44/04/46/488440446.db2.gz MYROBYFSNOSZJP-GJZGRUSLSA-N 2 0 352.504 0.877 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236650722 488453154 /nfs/dbraw/zinc/45/31/54/488453154.db2.gz WPYZGTTZKVNVRZ-HNNXBMFYSA-N 2 0 370.563 0.824 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000236840368 488453598 /nfs/dbraw/zinc/45/35/98/488453598.db2.gz APWSQDPVIARUCA-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236841210 488453947 /nfs/dbraw/zinc/45/39/47/488453947.db2.gz FINAXQVSMIMQSM-LJQANCHMSA-N 2 0 358.486 0.886 20 0 FCADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000238044693 488458108 /nfs/dbraw/zinc/45/81/08/488458108.db2.gz WWFKQKXCWQLXNK-ZNMIVQPWSA-N 2 0 354.520 0.188 20 0 FCADRP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246003411 488468993 /nfs/dbraw/zinc/46/89/93/488468993.db2.gz YPGDUZNCRJOCAS-KGLIPLIRSA-N 2 0 351.451 0.535 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000246122384 488469844 /nfs/dbraw/zinc/46/98/44/488469844.db2.gz HJPIHTGQUBXOLD-VVLHAWIVSA-N 2 0 352.523 0.879 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](C)C1 ZINC000246660342 488474912 /nfs/dbraw/zinc/47/49/12/488474912.db2.gz UJTIAPLRVFGSPL-BQFCYCMXSA-N 2 0 358.527 0.735 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)CC1=O ZINC000247117939 488481909 /nfs/dbraw/zinc/48/19/09/488481909.db2.gz LCMGCMDVOCAXCS-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269248529 488482541 /nfs/dbraw/zinc/48/25/41/488482541.db2.gz FMZDJZSFEQRFHV-IBGZPJMESA-N 2 0 373.501 0.886 20 0 FCADRP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247440383 488485731 /nfs/dbraw/zinc/48/57/31/488485731.db2.gz NISKTTNEYMIZOR-RBSFLKMASA-N 2 0 364.494 0.761 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000247558309 488487937 /nfs/dbraw/zinc/48/79/37/488487937.db2.gz ZWIYIKSYTKOWGY-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269294743 488488055 /nfs/dbraw/zinc/48/80/55/488488055.db2.gz MYJQPZFPAXXFBZ-GOSISDBHSA-N 3 0 361.490 0.479 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1nnc2ccccc2c1=O ZINC000103210766 488500020 /nfs/dbraw/zinc/50/00/20/488500020.db2.gz KHSGEUYAHHUYSD-UHFFFAOYSA-N 2 0 360.462 0.133 20 0 FCADRP C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000249420255 488510004 /nfs/dbraw/zinc/51/00/04/488510004.db2.gz HHWXAJVABOWNLQ-PFJGLKMASA-N 2 0 364.534 0.785 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CN3C[C@H](C)O[C@H](CO)C3)c2)C[C@@H](CO)O1 ZINC000249490686 488510652 /nfs/dbraw/zinc/51/06/52/488510652.db2.gz VGRXGFNHUNAUOI-JSJNYSNDSA-N 2 0 364.486 0.850 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000252653554 488519125 /nfs/dbraw/zinc/51/91/25/488519125.db2.gz ZLLNHCKKAVDSSH-IAGOWNOFSA-N 2 0 365.522 0.666 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000252653483 488519502 /nfs/dbraw/zinc/51/95/02/488519502.db2.gz ZLLNHCKKAVDSSH-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000108570859 488520440 /nfs/dbraw/zinc/52/04/40/488520440.db2.gz CGLYRPCBHZHFQE-HZPDHXFCSA-N 2 0 353.511 0.570 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109170477 488522244 /nfs/dbraw/zinc/52/22/44/488522244.db2.gz CMZTYZSTASXNNH-KRWDZBQOSA-N 2 0 356.511 0.489 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000261642059 488528707 /nfs/dbraw/zinc/52/87/07/488528707.db2.gz IMZYZSHJQRNNPP-AWEZNQCLSA-N 2 0 350.488 0.420 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000261641925 488528942 /nfs/dbraw/zinc/52/89/42/488528942.db2.gz IJJMAPUIEXVICI-AWEZNQCLSA-N 2 0 352.866 0.743 20 0 FCADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000261648593 488529091 /nfs/dbraw/zinc/52/90/91/488529091.db2.gz JHZAMXMRIQIWGW-OAHLLOKOSA-N 2 0 350.438 0.537 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261751678 488534095 /nfs/dbraw/zinc/53/40/95/488534095.db2.gz LFWZKFWCYXSVHJ-GOSISDBHSA-N 2 0 351.447 0.999 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114587406 488541884 /nfs/dbraw/zinc/54/18/84/488541884.db2.gz OLFPDCGLSSEVSB-SFHVURJKSA-N 2 0 369.554 0.408 20 0 FCADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000262091626 488549873 /nfs/dbraw/zinc/54/98/73/488549873.db2.gz LMMOXQNUYCFCFO-UHFFFAOYSA-N 2 0 368.503 0.027 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262107597 488550772 /nfs/dbraw/zinc/55/07/72/488550772.db2.gz MJWIXFMHAXHSFZ-KRWDZBQOSA-N 2 0 358.486 0.950 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262156413 488554137 /nfs/dbraw/zinc/55/41/37/488554137.db2.gz IAZQRWYNAQTKPJ-QGZVFWFLSA-N 2 0 363.506 0.921 20 0 FCADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000119831935 488559316 /nfs/dbraw/zinc/55/93/16/488559316.db2.gz BPRGVSIAVVOZMR-UHFFFAOYSA-N 2 0 360.466 0.928 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262269856 488560474 /nfs/dbraw/zinc/56/04/74/488560474.db2.gz SGOHHUOFNZCBPC-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CC[NH2+]CC1 ZINC000262281839 488561469 /nfs/dbraw/zinc/56/14/69/488561469.db2.gz ZITRDLYFRPXZLK-UHFFFAOYSA-N 2 0 357.458 0.788 20 0 FCADRP C[C@H]1OCCN[C@@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000262312264 488563443 /nfs/dbraw/zinc/56/34/43/488563443.db2.gz QNKBHULMHHLYJH-MJGOQNOKSA-N 2 0 360.502 0.640 20 0 FCADRP C[NH2+][C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cnn(C)c1 ZINC000262470476 488571978 /nfs/dbraw/zinc/57/19/78/488571978.db2.gz YEYAMRYBGCQACH-SOLBZPMBSA-N 2 0 362.522 0.698 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122072508 488575030 /nfs/dbraw/zinc/57/50/30/488575030.db2.gz KJSHCWFLZPMKHG-OKZBNKHCSA-N 2 0 358.486 0.663 20 0 FCADRP C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000569967850 491206948 /nfs/dbraw/zinc/20/69/48/491206948.db2.gz XWXXLOBYALPNBV-QAPCUYQASA-N 2 0 358.486 0.980 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272500233 488584593 /nfs/dbraw/zinc/58/45/93/488584593.db2.gz VRKFKNJUCFNMDG-MRXNPFEDSA-N 3 0 351.520 0.790 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000124162105 488590216 /nfs/dbraw/zinc/59/02/16/488590216.db2.gz LQZIZDINYKRYBN-SFHVURJKSA-N 2 0 352.479 0.739 20 0 FCADRP O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000126049449 488606296 /nfs/dbraw/zinc/60/62/96/488606296.db2.gz OSHZPDWAMNMGHT-HNNXBMFYSA-N 2 0 366.487 0.897 20 0 FCADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127810145 488619570 /nfs/dbraw/zinc/61/95/70/488619570.db2.gz FVMDDUPEWOKNOA-CABCVRRESA-N 2 0 354.520 0.881 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000570062598 491212993 /nfs/dbraw/zinc/21/29/93/491212993.db2.gz QCXUMDJMQIXUGC-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000130540053 488638107 /nfs/dbraw/zinc/63/81/07/488638107.db2.gz HSOGVCUAOPSHMJ-UHFFFAOYSA-N 2 0 372.473 0.763 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000130644841 488639422 /nfs/dbraw/zinc/63/94/22/488639422.db2.gz ISSQNBFHEFJOPG-UHFFFAOYSA-N 2 0 366.506 0.551 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000131200216 488643746 /nfs/dbraw/zinc/64/37/46/488643746.db2.gz ZFFKTQVESAAJDW-SJLPKXTDSA-N 2 0 365.449 0.980 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccnc1N1CCOCC1 ZINC000131574145 488647145 /nfs/dbraw/zinc/64/71/45/488647145.db2.gz QAKGGBXVXYHQTC-UHFFFAOYSA-N 2 0 364.494 0.875 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000132960067 488656439 /nfs/dbraw/zinc/65/64/39/488656439.db2.gz KKSLLJZLTFRXIE-UHFFFAOYSA-N 2 0 364.494 0.809 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000132984563 488656606 /nfs/dbraw/zinc/65/66/06/488656606.db2.gz QBOMPPFLBZATHK-LJQANCHMSA-N 2 0 362.518 0.839 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662775 491216568 /nfs/dbraw/zinc/21/65/68/491216568.db2.gz XYSIUJTWJDCFFE-GOEBONIOSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000563112381 491216946 /nfs/dbraw/zinc/21/69/46/491216946.db2.gz GJDPGAIDFMYMFM-PSFFPDNBSA-N 2 0 361.490 0.123 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000563113947 491217131 /nfs/dbraw/zinc/21/71/31/491217131.db2.gz XHJLLQFUISXFTQ-XZDPQHSOSA-N 2 0 351.495 0.353 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264685932 488698385 /nfs/dbraw/zinc/69/83/85/488698385.db2.gz CGRXFQAMVKYGPB-KRWDZBQOSA-N 2 0 363.506 0.672 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698450 488699593 /nfs/dbraw/zinc/69/95/93/488699593.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 0 359.518 0.978 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151823648 488710215 /nfs/dbraw/zinc/71/02/15/488710215.db2.gz JVXCWNLNMPXZFD-UHFFFAOYSA-N 2 0 355.527 0.112 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000152382961 488717052 /nfs/dbraw/zinc/71/70/52/488717052.db2.gz CTXDRRMTZYYNNZ-HNNXBMFYSA-N 2 0 356.536 0.436 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000152382820 488717204 /nfs/dbraw/zinc/71/72/04/488717204.db2.gz CTXDRRMTZYYNNZ-OAHLLOKOSA-N 2 0 356.536 0.436 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000153574769 488732311 /nfs/dbraw/zinc/73/23/11/488732311.db2.gz WCVIWVORUYRCKT-DOTOQJQBSA-N 2 0 354.495 0.459 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154011553 488737669 /nfs/dbraw/zinc/73/76/69/488737669.db2.gz FQXKPTCXXJHUIW-HNNXBMFYSA-N 2 0 364.494 0.574 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000155138872 488751933 /nfs/dbraw/zinc/75/19/33/488751933.db2.gz ROPXZLHZJAYCOS-HNNXBMFYSA-N 2 0 364.494 0.477 20 0 FCADRP CCNC(=O)N1CCN(CCCC[NH+]2CCN(C(=O)NCC)CC2)CC1 ZINC000157364948 488770877 /nfs/dbraw/zinc/77/08/77/488770877.db2.gz PFELXKIUKMGCMI-UHFFFAOYSA-N 2 0 368.526 0.461 20 0 FCADRP CC[NH+]1CCC(N(C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000157424272 488771312 /nfs/dbraw/zinc/77/13/12/488771312.db2.gz UGBMWZMKNDWBHX-UHFFFAOYSA-N 2 0 362.474 0.583 20 0 FCADRP COC1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000166613148 488811752 /nfs/dbraw/zinc/81/17/52/488811752.db2.gz FDDPSDKTCCLYAO-CALCHBBNSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190026 491223180 /nfs/dbraw/zinc/22/31/80/491223180.db2.gz ZFRNQKCSCWSILJ-HIFRSBDPSA-N 2 0 350.488 0.649 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000172304309 488832755 /nfs/dbraw/zinc/83/27/55/488832755.db2.gz PDZSGLRTVMLXPF-UHFFFAOYSA-N 2 0 373.501 0.585 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199379 491223667 /nfs/dbraw/zinc/22/36/67/491223667.db2.gz NNNFHCXLODTVSA-GOEBONIOSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000173228389 488841714 /nfs/dbraw/zinc/84/17/14/488841714.db2.gz VSUFUFCGNZOHNK-KRWDZBQOSA-N 2 0 374.485 0.867 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000173396194 488842585 /nfs/dbraw/zinc/84/25/85/488842585.db2.gz KCUMZJCMNFBNSU-QGZVFWFLSA-N 2 0 369.554 0.670 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCOCC1 ZINC000173905932 488846160 /nfs/dbraw/zinc/84/61/60/488846160.db2.gz BWJNGOZRRPYPDC-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175611362 488854539 /nfs/dbraw/zinc/85/45/39/488854539.db2.gz OPFQYXBLPHONIA-ROUUACIJSA-N 2 0 368.522 0.707 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176164975 488857570 /nfs/dbraw/zinc/85/75/70/488857570.db2.gz GGIODHSMBSNLBZ-SFHVURJKSA-N 2 0 368.522 0.849 20 0 FCADRP CCN(C(=O)[C@@H](C)N(C)CCCn1ccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000181075957 488862917 /nfs/dbraw/zinc/86/29/17/488862917.db2.gz KXTFYJHTWBPGBS-HUUCEWRRSA-N 2 0 356.492 0.629 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000181062286 488862986 /nfs/dbraw/zinc/86/29/86/488862986.db2.gz HLXWGGJHEUTYOW-HZPDHXFCSA-N 2 0 354.495 0.997 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000364670983 488983947 /nfs/dbraw/zinc/98/39/47/488983947.db2.gz GNVBOWJEOIFGND-WOJBJXKFSA-N 2 0 372.513 0.649 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000364734418 488994661 /nfs/dbraw/zinc/99/46/61/488994661.db2.gz KFSIJRWMRMHGDO-OLMMMNRUSA-N 2 0 351.491 0.700 20 0 FCADRP C[C@@]1(C(N)=O)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000280294775 488995463 /nfs/dbraw/zinc/99/54/63/488995463.db2.gz PCXLQPUMSXYUMG-LJQANCHMSA-N 2 0 374.489 0.501 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1=O ZINC000563207587 491227251 /nfs/dbraw/zinc/22/72/51/491227251.db2.gz PUCZETTZNCOELU-ZDUSSCGKSA-N 2 0 365.503 0.959 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000365003546 489028339 /nfs/dbraw/zinc/02/83/39/489028339.db2.gz ZMAMSWVJFVCPNH-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000289075144 489040169 /nfs/dbraw/zinc/04/01/69/489040169.db2.gz OBWXLJVAHHQMNW-TXCZRRACSA-N 2 0 359.474 0.892 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570283049 491230215 /nfs/dbraw/zinc/23/02/15/491230215.db2.gz KFHXBNIHFWRYJW-MRXNPFEDSA-N 2 0 363.510 0.178 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)O1 ZINC000330074206 489066487 /nfs/dbraw/zinc/06/64/87/489066487.db2.gz FOBQWMPCKWPBII-NVXWUHKLSA-N 2 0 366.506 0.251 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1noc(C)c1C ZINC000570298726 491231660 /nfs/dbraw/zinc/23/16/60/491231660.db2.gz DIGCNWFILJBXHP-OAHLLOKOSA-N 2 0 365.478 1.104 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(c2nccn2C)CC1 ZINC000330304401 489089490 /nfs/dbraw/zinc/08/94/90/489089490.db2.gz PYTZHEIMUQFGGK-UHFFFAOYSA-N 2 0 368.445 0.919 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365690113 489100990 /nfs/dbraw/zinc/10/09/90/489100990.db2.gz DBUICCSMHQIPCC-PBFPGSCMSA-N 2 0 350.467 0.305 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290288301 489128131 /nfs/dbraw/zinc/12/81/31/489128131.db2.gz BHFWFSDEWVWEBV-IRXDYDNUSA-N 2 0 373.501 0.967 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000563291838 491235367 /nfs/dbraw/zinc/23/53/67/491235367.db2.gz FNQZPAICNWXJLE-UHFFFAOYSA-N 2 0 368.522 0.579 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)[C@@H]2C1 ZINC000290608707 489152794 /nfs/dbraw/zinc/15/27/94/489152794.db2.gz RQYXZQGECSULIW-BZUAXINKSA-N 2 0 357.458 0.329 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172644 489154799 /nfs/dbraw/zinc/15/47/99/489154799.db2.gz SIUXFHBEJZIWPY-IEBWSBKVSA-N 2 0 351.539 0.997 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@H]2C1 ZINC000331368184 489202048 /nfs/dbraw/zinc/20/20/48/489202048.db2.gz BWPJQIAWCLUDFK-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@H]2C1 ZINC000331368185 489202211 /nfs/dbraw/zinc/20/22/11/489202211.db2.gz BWPJQIAWCLUDFK-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331382301 489204203 /nfs/dbraw/zinc/20/42/03/489204203.db2.gz JKEXCFRXAYUBJH-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331426099 489209494 /nfs/dbraw/zinc/20/94/94/489209494.db2.gz POPGDJQAPVAHII-MWDXBVQZSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000331458738 489214550 /nfs/dbraw/zinc/21/45/50/489214550.db2.gz PVBBCHSPRSCECH-BBWFWOEESA-N 2 0 366.506 0.156 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000332798412 489232320 /nfs/dbraw/zinc/23/23/20/489232320.db2.gz NULVWDBECQNLDX-QFBILLFUSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000369469124 489242027 /nfs/dbraw/zinc/24/20/27/489242027.db2.gz QTOFOIAKIJAJSY-MSOLQXFVSA-N 2 0 374.485 0.709 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283328559 489245861 /nfs/dbraw/zinc/24/58/61/489245861.db2.gz GCNXGNXAWJXAAL-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000563397166 491241836 /nfs/dbraw/zinc/24/18/36/491241836.db2.gz QRNUPOGLHPHPTA-AEFFLSMTSA-N 2 0 353.532 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000332967284 489251822 /nfs/dbraw/zinc/25/18/22/489251822.db2.gz PXVPHJFGIHFSGV-GVDBMIGSSA-N 2 0 363.506 0.561 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297945504 489266655 /nfs/dbraw/zinc/26/66/55/489266655.db2.gz DPHOQCZTLKSLAV-HDICACEKSA-N 2 0 358.486 0.597 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369861577 489283474 /nfs/dbraw/zinc/28/34/74/489283474.db2.gz SBGRQLNPFSKSMZ-FGTMMUONSA-N 2 0 367.538 0.422 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369864961 489284332 /nfs/dbraw/zinc/28/43/32/489284332.db2.gz ZWWPDGSBPNQXMZ-IXDOHACOSA-N 2 0 354.495 0.602 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452344 491248554 /nfs/dbraw/zinc/24/85/54/491248554.db2.gz WGHZEIVDZSXFTN-GVDBMIGSSA-N 2 0 363.506 0.737 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452346 491248694 /nfs/dbraw/zinc/24/86/94/491248694.db2.gz WGHZEIVDZSXFTN-YESZJQIVSA-N 2 0 363.506 0.737 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297994 489340351 /nfs/dbraw/zinc/34/03/51/489340351.db2.gz HJMAWARMQONOLR-IRXDYDNUSA-N 2 0 369.554 0.668 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC1=O ZINC000370473934 489364112 /nfs/dbraw/zinc/36/41/12/489364112.db2.gz TZKRMOOWAFNNJU-AHCXZYCDSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286209281 489368757 /nfs/dbraw/zinc/36/87/57/489368757.db2.gz SLPKMWQMEXPXFE-FQEVSTJZSA-N 2 0 371.529 0.705 20 0 FCADRP O=C1OC[C@H]2C[N@H+](CCCCCC[NH+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000370546233 489372733 /nfs/dbraw/zinc/37/27/33/489372733.db2.gz KVEPULWBQVHEBL-IYBDPMFKSA-N 2 0 366.462 0.820 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000286333185 489380619 /nfs/dbraw/zinc/38/06/19/489380619.db2.gz AREVDTUTSXSDBW-INIZCTEOSA-N 2 0 364.490 0.970 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000370601151 489380888 /nfs/dbraw/zinc/38/08/88/489380888.db2.gz FOSVDJKVTBBUOK-MRXNPFEDSA-N 2 0 356.511 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858865 489401913 /nfs/dbraw/zinc/40/19/13/489401913.db2.gz GTUPVWQLGPLJCE-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000299179738 489414445 /nfs/dbraw/zinc/41/44/45/489414445.db2.gz ULOKDWREOVJOHW-OAHLLOKOSA-N 2 0 361.490 0.439 20 0 FCADRP O=S(=O)(NC1CC[NH+](CCN2CC[NH2+]CC2)CC1)c1cccs1 ZINC000570632979 491254329 /nfs/dbraw/zinc/25/43/29/491254329.db2.gz PAKJONIRZGFHON-UHFFFAOYSA-N 2 0 358.533 0.396 20 0 FCADRP Cn1ccnc1CNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000286753742 489424768 /nfs/dbraw/zinc/42/47/68/489424768.db2.gz RSOBWWGNHIKPKR-UHFFFAOYSA-N 2 0 355.442 0.423 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027456 489440560 /nfs/dbraw/zinc/44/05/60/489440560.db2.gz IKNZDUMNHCLSJA-QZTJIDSGSA-N 2 0 367.538 0.376 20 0 FCADRP Cc1n[nH]c(=O)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000299472298 489445769 /nfs/dbraw/zinc/44/57/69/489445769.db2.gz GRRHLLANAQGVMQ-UHFFFAOYSA-N 2 0 370.457 0.724 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000570651398 491255758 /nfs/dbraw/zinc/25/57/58/491255758.db2.gz QIYPJFJVRLULEX-QZTJIDSGSA-N 2 0 373.501 0.982 20 0 FCADRP Cc1oc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363617438 489483789 /nfs/dbraw/zinc/48/37/89/489483789.db2.gz TVVWSJAWGXWNAX-LBPRGKRZSA-N 2 0 370.475 0.134 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423093068 489492556 /nfs/dbraw/zinc/49/25/56/489492556.db2.gz FQKYPWPTDMLKTQ-GJZGRUSLSA-N 2 0 364.465 0.912 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657824 489493862 /nfs/dbraw/zinc/49/38/62/489493862.db2.gz NDLSISJSEUKYEL-SJORKVTESA-N 2 0 365.522 0.176 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000423146352 489496881 /nfs/dbraw/zinc/49/68/81/489496881.db2.gz AHXVXFFLKHJGAN-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423158710 489498132 /nfs/dbraw/zinc/49/81/32/489498132.db2.gz XBESRCXZBWYJLB-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC000423163262 489498306 /nfs/dbraw/zinc/49/83/06/489498306.db2.gz MIJHOTOHQQOVTP-HUUCEWRRSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423167604 489498913 /nfs/dbraw/zinc/49/89/13/489498913.db2.gz SNNIXRXNWUSENJ-UHFFFAOYSA-N 2 0 364.465 0.913 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423170280 489499063 /nfs/dbraw/zinc/49/90/63/489499063.db2.gz XRQBEHOMVBJRTN-QZTJIDSGSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423170552 489499675 /nfs/dbraw/zinc/49/96/75/489499675.db2.gz YDIULOMDXAEMMS-IYBDPMFKSA-N 2 0 362.449 0.394 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000423198813 489501551 /nfs/dbraw/zinc/50/15/51/489501551.db2.gz ICCAFVLVXMLLMK-KRWDZBQOSA-N 2 0 360.502 0.830 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423193063 489501578 /nfs/dbraw/zinc/50/15/78/489501578.db2.gz WJYPAPBGNCBAJX-NVXWUHKLSA-N 2 0 368.522 0.530 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423202735 489501905 /nfs/dbraw/zinc/50/19/05/489501905.db2.gz LDXIIPHDYYOALM-HOCLYGCPSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000423205214 489502623 /nfs/dbraw/zinc/50/26/23/489502623.db2.gz DWWLROGWROSIBS-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000423204802 489502923 /nfs/dbraw/zinc/50/29/23/489502923.db2.gz OOXJIFJWYBOVGK-OAHLLOKOSA-N 2 0 368.428 0.675 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423219158 489504529 /nfs/dbraw/zinc/50/45/29/489504529.db2.gz WHAUAGSTYGLOSW-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000563627441 491259587 /nfs/dbraw/zinc/25/95/87/491259587.db2.gz ALXJAKYLYQVGDY-YJBOKZPZSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000414590890 489506622 /nfs/dbraw/zinc/50/66/22/489506622.db2.gz ARERHJCMDYLVBU-HZPDHXFCSA-N 2 0 368.522 0.090 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423258446 489507966 /nfs/dbraw/zinc/50/79/66/489507966.db2.gz MCRPJWISYDFZOY-RBUKOAKNSA-N 2 0 372.513 0.953 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)CC1 ZINC000423302788 489513228 /nfs/dbraw/zinc/51/32/28/489513228.db2.gz KNYWGKIJMHYHPV-QLOLRVAOSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000415383405 489516704 /nfs/dbraw/zinc/51/67/04/489516704.db2.gz XUEKCYACTWQHNA-CQSZACIVSA-N 2 0 366.437 0.915 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415380292 489516839 /nfs/dbraw/zinc/51/68/39/489516839.db2.gz PKOVHWUCVZFTNY-QGZVFWFLSA-N 2 0 359.474 0.241 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000415415473 489518132 /nfs/dbraw/zinc/51/81/32/489518132.db2.gz IILJZVLTEGBKSZ-OAHLLOKOSA-N 2 0 361.490 0.881 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415417873 489518140 /nfs/dbraw/zinc/51/81/40/489518140.db2.gz WNBLGLNHZCGGHF-HNNXBMFYSA-N 2 0 361.490 0.344 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000555662398 491263289 /nfs/dbraw/zinc/26/32/89/491263289.db2.gz FBPKYKDCXVBTDA-IAGOWNOFSA-N 2 0 370.538 0.837 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)c(C)c2)CC1 ZINC000415428462 489520130 /nfs/dbraw/zinc/52/01/30/489520130.db2.gz HJYRAPNDYCXUSO-MRXNPFEDSA-N 2 0 373.501 0.896 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000415447584 489522008 /nfs/dbraw/zinc/52/20/08/489522008.db2.gz HJWFBTKQNNBTSX-UHFFFAOYSA-N 2 0 364.494 0.812 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415515740 489526263 /nfs/dbraw/zinc/52/62/63/489526263.db2.gz DQRPHIIOYJHYOV-CHWSQXEVSA-N 2 0 366.437 0.900 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000451891082 489528598 /nfs/dbraw/zinc/52/85/98/489528598.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 2 0 368.566 0.150 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000415561210 489530435 /nfs/dbraw/zinc/53/04/35/489530435.db2.gz OAVRFBSEFPVQCB-UHFFFAOYSA-N 2 0 373.501 0.760 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000451926139 489531437 /nfs/dbraw/zinc/53/14/37/489531437.db2.gz HCRCWRNWBMKVGR-MQVJKMGUSA-N 2 0 369.535 0.965 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415582253 489532818 /nfs/dbraw/zinc/53/28/18/489532818.db2.gz UECHGMFDJXAMET-NVXWUHKLSA-N 2 0 373.501 0.568 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415603351 489535801 /nfs/dbraw/zinc/53/58/01/489535801.db2.gz NMAUGCGVMVXMOH-IBGZPJMESA-N 2 0 360.458 0.778 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000415651620 489539607 /nfs/dbraw/zinc/53/96/07/489539607.db2.gz BWMIGGSXVXIIJW-CQSZACIVSA-N 2 0 350.463 0.988 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415644549 489539756 /nfs/dbraw/zinc/53/97/56/489539756.db2.gz KYLDQFHBSPLYHW-FUHWJXTLSA-N 2 0 373.501 0.759 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)c1 ZINC000415731914 489548041 /nfs/dbraw/zinc/54/80/41/489548041.db2.gz GRCGLNIMYBEOKF-UHFFFAOYSA-N 2 0 361.446 0.336 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415861201 489560484 /nfs/dbraw/zinc/56/04/84/489560484.db2.gz IQVFBFIADKSIAS-GOSISDBHSA-N 2 0 374.485 0.758 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415864022 489561305 /nfs/dbraw/zinc/56/13/05/489561305.db2.gz XXELRFJFBIYZMB-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCO1 ZINC000415865262 489561311 /nfs/dbraw/zinc/56/13/11/489561311.db2.gz UIYAAKXPGXPEFS-GOSISDBHSA-N 2 0 374.485 0.840 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870554 489562029 /nfs/dbraw/zinc/56/20/29/489562029.db2.gz TVRBGFPMFSMRMG-YJBOKZPZSA-N 2 0 374.485 0.962 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000415870897 489562209 /nfs/dbraw/zinc/56/22/09/489562209.db2.gz PQEBMJQKJMIJRX-LSDHHAIUSA-N 2 0 360.458 0.633 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415989866 489566873 /nfs/dbraw/zinc/56/68/73/489566873.db2.gz BPRVCEIWISQGLG-LBPRGKRZSA-N 2 0 353.433 0.981 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004574 489567260 /nfs/dbraw/zinc/56/72/60/489567260.db2.gz IQPCKTFNZYZUPG-RYUDHWBXSA-N 2 0 367.416 0.508 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000416145419 489570999 /nfs/dbraw/zinc/57/09/99/489570999.db2.gz LNXNLMWYTCXGKT-GFCCVEGCSA-N 2 0 367.450 0.385 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702732 491264182 /nfs/dbraw/zinc/26/41/82/491264182.db2.gz LMJMYCGTFDLKGA-HZPDHXFCSA-N 2 0 350.507 0.990 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000563704926 491264352 /nfs/dbraw/zinc/26/43/52/491264352.db2.gz APSMIMRVOXIHCE-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399057 489581060 /nfs/dbraw/zinc/58/10/60/489581060.db2.gz ARESXVPGHZAVGT-WMZOPIPTSA-N 2 0 352.523 0.535 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000372454902 489585886 /nfs/dbraw/zinc/58/58/86/489585886.db2.gz MHDWAKGJMYSKFN-ROUUACIJSA-N 2 0 366.550 0.972 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000555700651 491266660 /nfs/dbraw/zinc/26/66/60/491266660.db2.gz QBOWAOGALJFOMM-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)C[C@@H](C)O1 ZINC000416963122 489636961 /nfs/dbraw/zinc/63/69/61/489636961.db2.gz BEOUDRKJFSAQTC-HZPDHXFCSA-N 2 0 364.490 0.758 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000417016134 489638644 /nfs/dbraw/zinc/63/86/44/489638644.db2.gz NRAIYVRYXSZTCU-HIFRSBDPSA-N 2 0 367.519 0.847 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417012684 489638802 /nfs/dbraw/zinc/63/88/02/489638802.db2.gz ATKHEGADKIBVES-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000417212062 489645032 /nfs/dbraw/zinc/64/50/32/489645032.db2.gz HJNFCWMDHSAHGJ-GPMSIDNRSA-N 2 0 367.538 0.993 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417295246 489646633 /nfs/dbraw/zinc/64/66/33/489646633.db2.gz DLSOJCJYIVVCQD-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000417331408 489648595 /nfs/dbraw/zinc/64/85/95/489648595.db2.gz WGQYRZYGKFBHMY-CYBMUJFWSA-N 2 0 356.421 0.615 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C[C@@H](C)O1 ZINC000457571609 489649978 /nfs/dbraw/zinc/64/99/78/489649978.db2.gz HZHORSRDPYQJCH-BRWVUGGUSA-N 2 0 356.511 0.632 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622632 489651253 /nfs/dbraw/zinc/65/12/53/489651253.db2.gz QNRVSAYNTZHKNI-ZWKOTPCHSA-N 2 0 369.554 0.404 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417426416 489652039 /nfs/dbraw/zinc/65/20/39/489652039.db2.gz GNXOTXRDSJOKKM-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417429601 489652706 /nfs/dbraw/zinc/65/27/06/489652706.db2.gz NJIZZOTVJLXCSJ-MRXNPFEDSA-N 2 0 351.495 0.538 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417428141 489652789 /nfs/dbraw/zinc/65/27/89/489652789.db2.gz KFBUEXNQMOXLCF-HOTGVXAUSA-N 2 0 353.511 0.761 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417429042 489652943 /nfs/dbraw/zinc/65/29/43/489652943.db2.gz MPDJOKRUNDFJAC-PMPSAXMXSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1=O ZINC000428543959 489653044 /nfs/dbraw/zinc/65/30/44/489653044.db2.gz IWBWCWZCPYSBOU-WMZOPIPTSA-N 2 0 374.485 0.602 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448770 489654698 /nfs/dbraw/zinc/65/46/98/489654698.db2.gz WIIQRVDDTAMMFW-STQMWFEESA-N 2 0 353.433 0.852 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417519130 489656705 /nfs/dbraw/zinc/65/67/05/489656705.db2.gz ULFMMZNJRTUYKH-SQNIBIBYSA-N 2 0 364.490 0.576 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NCCN3CC[NH2+]CC3)CCCC2)CC1 ZINC000417542837 489657906 /nfs/dbraw/zinc/65/79/06/489657906.db2.gz FBBFPZALZAIQQE-UHFFFAOYSA-N 2 0 367.538 0.614 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)C1 ZINC000417547815 489658190 /nfs/dbraw/zinc/65/81/90/489658190.db2.gz PEHIGOOAQUIJEB-QGZVFWFLSA-N 2 0 359.474 0.499 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000417550838 489658317 /nfs/dbraw/zinc/65/83/17/489658317.db2.gz MMTMRQTVZVDOJJ-AAEUAGOBSA-N 2 0 351.417 0.604 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428688797 489660768 /nfs/dbraw/zinc/66/07/68/489660768.db2.gz PAQGIXMYJZXSGE-INIZCTEOSA-N 2 0 365.522 0.747 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417750248 489664197 /nfs/dbraw/zinc/66/41/97/489664197.db2.gz KKZPVIIRNDNPOJ-SJLPKXTDSA-N 2 0 355.527 0.328 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000417781581 489665389 /nfs/dbraw/zinc/66/53/89/489665389.db2.gz KBSKBOKRKNJDIJ-IUODEOHRSA-N 2 0 354.476 0.770 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000417839348 489667939 /nfs/dbraw/zinc/66/79/39/489667939.db2.gz KEWHMAKYWGSCSR-FOLVSLTJSA-N 2 0 351.495 0.130 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000417846147 489668409 /nfs/dbraw/zinc/66/84/09/489668409.db2.gz PONNWEVSQSMWOJ-OAHLLOKOSA-N 2 0 367.538 0.912 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417858204 489669017 /nfs/dbraw/zinc/66/90/17/489669017.db2.gz YYHNKPNORAKOOP-UHFFFAOYSA-N 2 0 353.511 0.794 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417858742 489669073 /nfs/dbraw/zinc/66/90/73/489669073.db2.gz ZQZBXBXGCOMNKW-UHFFFAOYSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000373120908 489670392 /nfs/dbraw/zinc/67/03/92/489670392.db2.gz HYPLRQFDMBSERY-OKZBNKHCSA-N 2 0 351.539 0.994 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563804490 491270141 /nfs/dbraw/zinc/27/01/41/491270141.db2.gz PJMJWJSUSKIZBW-INIZCTEOSA-N 2 0 364.465 0.913 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002138 489674713 /nfs/dbraw/zinc/67/47/13/489674713.db2.gz LRGPJIPSPDYWSB-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458331830 489677347 /nfs/dbraw/zinc/67/73/47/489677347.db2.gz HMSFPLSDMWJIKZ-KRWDZBQOSA-N 2 0 368.522 0.777 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373240267 489681581 /nfs/dbraw/zinc/68/15/81/489681581.db2.gz GOGQMVURJFTATL-UHFFFAOYSA-N 2 0 364.494 0.889 20 0 FCADRP CCN1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)[C@@H]1c1ccccc1 ZINC000418189194 489683465 /nfs/dbraw/zinc/68/34/65/489683465.db2.gz VBZRCQJBFYZJMK-MHORFTMASA-N 2 0 362.474 0.328 20 0 FCADRP COC[C@@]1(CNC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[NH2+]1 ZINC000418197818 489684303 /nfs/dbraw/zinc/68/43/03/489684303.db2.gz UECDRBIQUCVVLM-SFHVURJKSA-N 2 0 365.478 0.590 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461433 489684322 /nfs/dbraw/zinc/68/43/22/489684322.db2.gz PHNLNJXNVMFVST-QZTJIDSGSA-N 2 0 369.554 0.406 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458482292 489685905 /nfs/dbraw/zinc/68/59/05/489685905.db2.gz BZJMDKBILSALDR-CALCHBBNSA-N 2 0 370.538 0.972 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273687 489687005 /nfs/dbraw/zinc/68/70/05/489687005.db2.gz BXBJVVVYXKUZSS-UONOGXRCSA-N 2 0 365.444 0.854 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC(O)(C2CC2)C1 ZINC000489071995 489693432 /nfs/dbraw/zinc/69/34/32/489693432.db2.gz SREVXTVKPQOIDH-UHFFFAOYSA-N 2 0 359.474 0.760 20 0 FCADRP C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000418358603 489693552 /nfs/dbraw/zinc/69/35/52/489693552.db2.gz ZEJALGOBIKHGHE-YNEHKIRRSA-N 2 0 351.417 0.510 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418383151 489694555 /nfs/dbraw/zinc/69/45/55/489694555.db2.gz ZBZKPTKYPXNUGK-IRXDYDNUSA-N 2 0 361.490 0.327 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418398346 489695719 /nfs/dbraw/zinc/69/57/19/489695719.db2.gz CRLPWJDHHAYKMT-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418408811 489696599 /nfs/dbraw/zinc/69/65/99/489696599.db2.gz NCNIKQYXHBQXPP-LUKYLMHMSA-N 2 0 365.522 0.794 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442209 489698365 /nfs/dbraw/zinc/69/83/65/489698365.db2.gz JGVOMFDSHWPXNY-HZPDHXFCSA-N 2 0 369.510 0.078 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418447862 489699228 /nfs/dbraw/zinc/69/92/28/489699228.db2.gz PXQQUFROVGNSQN-MSOLQXFVSA-N 2 0 369.554 0.940 20 0 FCADRP C[C@]1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000418533319 489704661 /nfs/dbraw/zinc/70/46/61/489704661.db2.gz DHHCZOMSMZIZSZ-FCEWJHQRSA-N 2 0 365.522 0.666 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418557406 489706816 /nfs/dbraw/zinc/70/68/16/489706816.db2.gz AYOUTLPPXJAZGB-APYUEPQZSA-N 2 0 354.401 0.290 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418570855 489708150 /nfs/dbraw/zinc/70/81/50/489708150.db2.gz RBOPWSXULUOPAN-OWQGQXMQSA-N 2 0 368.428 0.776 20 0 FCADRP [NH3+]C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000418603252 489708883 /nfs/dbraw/zinc/70/88/83/489708883.db2.gz WKMZRLWOHFRJMC-STQMWFEESA-N 2 0 351.417 0.639 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611551 489710234 /nfs/dbraw/zinc/71/02/34/489710234.db2.gz HVSVDDPEBCGJPY-ZDUSSCGKSA-N 2 0 351.417 0.558 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611501 489710534 /nfs/dbraw/zinc/71/05/34/489710534.db2.gz HQJCIHWLNMBQKE-KGLIPLIRSA-N 2 0 365.444 0.948 20 0 FCADRP CCCN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000418615204 489710872 /nfs/dbraw/zinc/71/08/72/489710872.db2.gz LISFXNOBJCEYHD-STQMWFEESA-N 2 0 351.417 0.606 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H](O)C(F)F ZINC000489434427 489711517 /nfs/dbraw/zinc/71/15/17/489711517.db2.gz LNJDRDDWASUIRQ-AWEZNQCLSA-N 2 0 357.405 0.519 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623657 489711972 /nfs/dbraw/zinc/71/19/72/489711972.db2.gz XIIJORFERLKJSL-CHWSQXEVSA-N 2 0 351.417 0.558 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418636576 489714090 /nfs/dbraw/zinc/71/40/90/489714090.db2.gz MJLLIYLXVAVJAP-SJLPKXTDSA-N 2 0 373.501 0.903 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418649086 489715741 /nfs/dbraw/zinc/71/57/41/489715741.db2.gz VPTDDHAUCXKWCW-HUUCEWRRSA-N 2 0 353.511 0.794 20 0 FCADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418802132 489730863 /nfs/dbraw/zinc/73/08/63/489730863.db2.gz XSPALEMXGNVSEK-MSOLQXFVSA-N 2 0 362.474 0.083 20 0 FCADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC(=O)NCc1ccccc1 ZINC000489904256 489735013 /nfs/dbraw/zinc/73/50/13/489735013.db2.gz CQZQLMVSMCMODL-QGZVFWFLSA-N 2 0 359.474 0.382 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418819178 489737135 /nfs/dbraw/zinc/73/71/35/489737135.db2.gz ODIZFWDGWPEVMS-OXJNMPFZSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418825639 489741269 /nfs/dbraw/zinc/74/12/69/489741269.db2.gz AKWDIPPUQADPBT-HCXYKTFWSA-N 2 0 372.513 0.780 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418825641 489741718 /nfs/dbraw/zinc/74/17/18/489741718.db2.gz AKWDIPPUQADPBT-MKXGPGLRSA-N 2 0 372.513 0.780 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418828379 489742011 /nfs/dbraw/zinc/74/20/11/489742011.db2.gz HVGJWXGFSLSAOI-HNNXBMFYSA-N 2 0 352.479 0.087 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccs1 ZINC000418830051 489743662 /nfs/dbraw/zinc/74/36/62/489743662.db2.gz JCSDWJLHKMLRIA-LXTVHRRPSA-N 2 0 364.515 0.971 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000418834949 489746682 /nfs/dbraw/zinc/74/66/82/489746682.db2.gz MUUZEXIRHUWWDE-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCC1 ZINC000418834860 489746993 /nfs/dbraw/zinc/74/69/93/489746993.db2.gz YJIJOFMMOMMVHH-JYJNAYRXSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418837228 489748302 /nfs/dbraw/zinc/74/83/02/489748302.db2.gz AAHKVCQLBVTIDH-KGLIPLIRSA-N 2 0 350.488 0.822 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000430602105 489750234 /nfs/dbraw/zinc/75/02/34/489750234.db2.gz GFPLQPTUMQBXLU-OLZOCXBDSA-N 2 0 364.412 0.574 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000430605068 489751026 /nfs/dbraw/zinc/75/10/26/489751026.db2.gz PNKLRNBDGDUXNT-QGZVFWFLSA-N 2 0 374.485 0.325 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430598302 489751170 /nfs/dbraw/zinc/75/11/70/489751170.db2.gz CHJIAMDKZBPAPH-HOCLYGCPSA-N 2 0 360.458 0.413 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cccs1 ZINC000418841956 489751261 /nfs/dbraw/zinc/75/12/61/489751261.db2.gz ZIXGFQWERCLBFZ-CQSZACIVSA-N 2 0 350.488 0.893 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000418841501 489751397 /nfs/dbraw/zinc/75/13/97/489751397.db2.gz ZCHCSMBNTMKFHV-GXTWGEPZSA-N 2 0 366.462 0.276 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418841612 489751530 /nfs/dbraw/zinc/75/15/30/489751530.db2.gz GVQCPCBWJLZTGL-ZIAGYGMSSA-N 2 0 352.504 0.973 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000430609164 489751709 /nfs/dbraw/zinc/75/17/09/489751709.db2.gz HANPOTLTZKVPSB-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610856 489753131 /nfs/dbraw/zinc/75/31/31/489753131.db2.gz LUJKAMWPKPFKAU-MRXNPFEDSA-N 2 0 362.474 0.141 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000418848382 489754438 /nfs/dbraw/zinc/75/44/38/489754438.db2.gz LLEIVZQTMRSCSE-GOEBONIOSA-N 2 0 360.458 0.426 20 0 FCADRP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618296 489754620 /nfs/dbraw/zinc/75/46/20/489754620.db2.gz SOFXRLAWFRVHLA-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848894 489755566 /nfs/dbraw/zinc/75/55/66/489755566.db2.gz LVRMAYKQILSTPM-XLIONFOSSA-N 2 0 358.486 0.488 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC(F)(F)CN)N(C)C ZINC000418849715 489755751 /nfs/dbraw/zinc/75/57/51/489755751.db2.gz NCVAGSCFXZVQQN-GFCCVEGCSA-N 2 0 358.389 0.124 20 0 FCADRP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624451 489756581 /nfs/dbraw/zinc/75/65/81/489756581.db2.gz IGFDENHEMNDRAB-UKRRQHHQSA-N 2 0 350.438 0.617 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633762 489758820 /nfs/dbraw/zinc/75/88/20/489758820.db2.gz QDFBQRFBOIFQAP-ZBFHGGJFSA-N 2 0 364.465 0.660 20 0 FCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642071 489760163 /nfs/dbraw/zinc/76/01/63/489760163.db2.gz UPCSMQVGOUPZIQ-QWHCGFSZSA-N 2 0 362.430 0.529 20 0 FCADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638074 489760988 /nfs/dbraw/zinc/76/09/88/489760988.db2.gz CBXSOOQWGNFFSN-DOTOQJQBSA-N 2 0 374.489 0.059 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418858806 489761493 /nfs/dbraw/zinc/76/14/93/489761493.db2.gz KAQDWWLVZDEHTE-UONOGXRCSA-N 2 0 350.488 0.822 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418858807 489761784 /nfs/dbraw/zinc/76/17/84/489761784.db2.gz KAQDWWLVZDEHTE-ZIAGYGMSSA-N 2 0 350.488 0.822 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418860674 489762194 /nfs/dbraw/zinc/76/21/94/489762194.db2.gz MALUNBIVTNGMCT-YLJYHZDGSA-N 2 0 356.470 0.589 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418861106 489762509 /nfs/dbraw/zinc/76/25/09/489762509.db2.gz MLZNVINPUHJKBU-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[NH+](C)C)c1 ZINC000418860755 489762611 /nfs/dbraw/zinc/76/26/11/489762611.db2.gz MFQUZSOWCFFGBV-BQFCYCMXSA-N 2 0 374.485 0.482 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418865119 489764425 /nfs/dbraw/zinc/76/44/25/489764425.db2.gz LRLVVONVQWRPAT-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671068 489765041 /nfs/dbraw/zinc/76/50/41/489765041.db2.gz XBQDUXGDXDGGIB-GJZGRUSLSA-N 2 0 367.494 0.001 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418865385 489765170 /nfs/dbraw/zinc/76/51/70/489765170.db2.gz RRNKXHGOUKPWJE-RHSMWYFYSA-N 2 0 362.474 0.530 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418866810 489766004 /nfs/dbraw/zinc/76/60/04/489766004.db2.gz UCBWRESWLQJDBF-UNEWFSDZSA-N 2 0 362.474 0.610 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418868802 489766493 /nfs/dbraw/zinc/76/64/93/489766493.db2.gz WQYMAEOIOVFLGM-RHSMWYFYSA-N 2 0 362.474 0.482 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418871600 489767785 /nfs/dbraw/zinc/76/77/85/489767785.db2.gz FEPRGHLVCOBVRV-SJLPKXTDSA-N 2 0 374.485 0.898 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418878650 489770709 /nfs/dbraw/zinc/77/07/09/489770709.db2.gz RIFAMZWDMCQFLN-SFHVURJKSA-N 2 0 374.485 0.770 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)COC2C[NH2+]C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000430788540 489770751 /nfs/dbraw/zinc/77/07/51/489770751.db2.gz CIGJUKZVGYLYNG-MRXNPFEDSA-N 2 0 360.458 0.780 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@@H]1C[NH3+] ZINC000418878108 489770870 /nfs/dbraw/zinc/77/08/70/489770870.db2.gz QFNTVLXQXBVVQJ-KBAYOESNSA-N 2 0 360.502 0.861 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418877874 489771034 /nfs/dbraw/zinc/77/10/34/489771034.db2.gz PTXVXOQFKHLOGJ-ROUUACIJSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418880701 489773667 /nfs/dbraw/zinc/77/36/67/489773667.db2.gz PWEQZPIJIITVEM-VGWMRTNUSA-N 2 0 350.507 0.951 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430880600 489773925 /nfs/dbraw/zinc/77/39/25/489773925.db2.gz USSOAALCAVHPDW-JKSUJKDBSA-N 2 0 360.458 0.701 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@H](C)[NH2+]1 ZINC000418884976 489774116 /nfs/dbraw/zinc/77/41/16/489774116.db2.gz XSWSTYOEVVQIRE-RVKKMQEKSA-N 2 0 374.485 0.078 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430878765 489774797 /nfs/dbraw/zinc/77/47/97/489774797.db2.gz PRCARCHYQWGSES-HMQMGEFJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883638 489774923 /nfs/dbraw/zinc/77/49/23/489774923.db2.gz VLBFRVVBSRLBLJ-WBVHZDCISA-N 2 0 368.522 0.627 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418885938 489775906 /nfs/dbraw/zinc/77/59/06/489775906.db2.gz ZPUMLZDQMUTILO-OWCLPIDISA-N 2 0 354.495 0.237 20 0 FCADRP COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430920724 489777363 /nfs/dbraw/zinc/77/73/63/489777363.db2.gz WBCFYWFKFVPKLX-AWEZNQCLSA-N 2 0 362.474 0.963 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000490640957 489778144 /nfs/dbraw/zinc/77/81/44/489778144.db2.gz OBMPFDKYWTUUSW-HZPDHXFCSA-N 2 0 356.511 0.584 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000418908342 489785927 /nfs/dbraw/zinc/78/59/27/489785927.db2.gz HUKSONWRGBUPMF-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431035575 489787034 /nfs/dbraw/zinc/78/70/34/489787034.db2.gz SVQAWFRBZRXZEU-ZDUSSCGKSA-N 2 0 366.487 0.737 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000418911907 489787333 /nfs/dbraw/zinc/78/73/33/489787333.db2.gz CNXRXLWZDGWXPQ-QGZVFWFLSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000418911857 489788103 /nfs/dbraw/zinc/78/81/03/489788103.db2.gz CBDWGSFZKSFYQB-OWCLPIDISA-N 2 0 354.495 0.045 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000418915094 489788829 /nfs/dbraw/zinc/78/88/29/489788829.db2.gz UPAWOZNPLFRFPU-XZJROXQQSA-N 2 0 368.428 0.798 20 0 FCADRP O=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000459918737 489793315 /nfs/dbraw/zinc/79/33/15/489793315.db2.gz SQFAXNBMMGMYJN-SFHVURJKSA-N 2 0 360.502 0.936 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418940807 489797468 /nfs/dbraw/zinc/79/74/68/489797468.db2.gz UKYLHGVJVXPRRU-IRXDYDNUSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941812 489798697 /nfs/dbraw/zinc/79/86/97/489798697.db2.gz WKSRAIILFADLQZ-CVEARBPZSA-N 2 0 368.522 0.988 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418943470 489798829 /nfs/dbraw/zinc/79/88/29/489798829.db2.gz BYBIISUUVNODNC-MRXNPFEDSA-N 2 0 374.485 0.598 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000418967669 489807299 /nfs/dbraw/zinc/80/72/99/489807299.db2.gz SNJHPWDZWGHXBF-INIZCTEOSA-N 2 0 374.485 0.598 20 0 FCADRP CC(C)Nc1nc(NC[C@@H](c2cccs2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000555895806 491280143 /nfs/dbraw/zinc/28/01/43/491280143.db2.gz BQBGHIYMTMXVPE-LBPRGKRZSA-N 2 0 365.507 0.138 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000459985446 489809476 /nfs/dbraw/zinc/80/94/76/489809476.db2.gz DMIWFMARXGTCKO-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418980997 489809618 /nfs/dbraw/zinc/80/96/18/489809618.db2.gz GDBQNRQBVUTYHY-BBRMVZONSA-N 2 0 362.474 0.594 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000419011695 489816688 /nfs/dbraw/zinc/81/66/88/489816688.db2.gz SYEQTRNYVJXKRF-HNNXBMFYSA-N 2 0 364.877 0.980 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419019386 489820181 /nfs/dbraw/zinc/82/01/81/489820181.db2.gz DIRBYJVLAISCSI-CBBWQLFWSA-N 2 0 354.495 0.452 20 0 FCADRP CCn1ncnc1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000475419324 489825463 /nfs/dbraw/zinc/82/54/63/489825463.db2.gz FGKJOGRKADYXSW-HNNXBMFYSA-N 2 0 351.499 0.856 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419032708 489826831 /nfs/dbraw/zinc/82/68/31/489826831.db2.gz KKBCNPXPLWFJNN-AWEZNQCLSA-N 2 0 356.536 0.708 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419035369 489827310 /nfs/dbraw/zinc/82/73/10/489827310.db2.gz NZGXYQRVUVWADB-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419035367 489827548 /nfs/dbraw/zinc/82/75/48/489827548.db2.gz NZGXYQRVUVWADB-HNNXBMFYSA-N 2 0 368.547 0.723 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000419034211 489827835 /nfs/dbraw/zinc/82/78/35/489827835.db2.gz DITGMQYADMTMGP-XHSDSOJGSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000419038254 489829241 /nfs/dbraw/zinc/82/92/41/489829241.db2.gz FCOLCNKKKLQDOY-MRXNPFEDSA-N 2 0 356.511 0.482 20 0 FCADRP CC(C)Nc1nc(NC[C@H](c2ccccc2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000555901495 491281593 /nfs/dbraw/zinc/28/15/93/491281593.db2.gz XEYKTPGXWWBIOC-OAHLLOKOSA-N 2 0 359.478 0.077 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000419040140 489830006 /nfs/dbraw/zinc/83/00/06/489830006.db2.gz MDHSTXUGNMSKEK-HRCADAONSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000419042952 489831301 /nfs/dbraw/zinc/83/13/01/489831301.db2.gz QHINBNCLWRPPHT-NXOAAHMSSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419047654 489834218 /nfs/dbraw/zinc/83/42/18/489834218.db2.gz UALJTDDKPILIFW-NXHRZFHOSA-N 2 0 374.485 0.433 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419066555 489842581 /nfs/dbraw/zinc/84/25/81/489842581.db2.gz FJUXOWWLHJKAIU-SFHVURJKSA-N 2 0 358.486 0.868 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419073855 489846336 /nfs/dbraw/zinc/84/63/36/489846336.db2.gz CXUKXUBKWHPTPE-OAGGEKHMSA-N 2 0 354.495 0.332 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460082170 489847029 /nfs/dbraw/zinc/84/70/29/489847029.db2.gz ZVAOGUJHVSSPNQ-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077572 489847223 /nfs/dbraw/zinc/84/72/23/489847223.db2.gz RKODJQKNVAVGPL-YOEHRIQHSA-N 2 0 360.458 0.083 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077569 489847338 /nfs/dbraw/zinc/84/73/38/489847338.db2.gz RKODJQKNVAVGPL-PBHICJAKSA-N 2 0 360.458 0.083 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000419076141 489847691 /nfs/dbraw/zinc/84/76/91/489847691.db2.gz PJCOFEVSHFWHEN-CQSZACIVSA-N 2 0 362.474 0.377 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419078806 489848022 /nfs/dbraw/zinc/84/80/22/489848022.db2.gz LRVVRCNURXXIEY-INIZCTEOSA-N 2 0 368.522 0.724 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419078043 489848033 /nfs/dbraw/zinc/84/80/33/489848033.db2.gz SJXQPQUGFOADBB-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087552 489851359 /nfs/dbraw/zinc/85/13/59/489851359.db2.gz ZZJUYEXUXURQNO-RDJZCZTQSA-N 2 0 362.474 0.672 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)CC[NH3+])c1cccc(OC)c1 ZINC000419087228 489851482 /nfs/dbraw/zinc/85/14/82/489851482.db2.gz ZHFCPEXEQWYIJH-MRXNPFEDSA-N 2 0 350.463 0.611 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087553 489851784 /nfs/dbraw/zinc/85/17/84/489851784.db2.gz ZZJUYEXUXURQNO-WBVHZDCISA-N 2 0 362.474 0.672 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419095286 489854162 /nfs/dbraw/zinc/85/41/62/489854162.db2.gz ATZMNDGNNKHNFE-QBPKDAKJSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419095280 489854518 /nfs/dbraw/zinc/85/45/18/489854518.db2.gz ATZMNDGNNKHNFE-LTIDMASMSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419110407 489858843 /nfs/dbraw/zinc/85/88/43/489858843.db2.gz NWSDMFQHYPWENY-OCCSQVGLSA-N 2 0 350.438 0.699 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000419115254 489861817 /nfs/dbraw/zinc/86/18/17/489861817.db2.gz SWLVWEBUOJSUGT-CJNGLKHVSA-N 2 0 350.438 0.747 20 0 FCADRP Cc1ccc([C@@H](CNc2nc(NCCO)[nH+]c(NC(C)C)n2)[NH+](C)C)cc1 ZINC000555925777 491283962 /nfs/dbraw/zinc/28/39/62/491283962.db2.gz SATQUSOCLOWGCX-MRXNPFEDSA-N 2 0 373.505 0.385 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1F ZINC000419117873 489862887 /nfs/dbraw/zinc/86/28/87/489862887.db2.gz QOHIKTUXBVRTSM-FUHWJXTLSA-N 2 0 374.460 0.822 20 0 FCADRP Cn1cc(N2CCC[C@@H](NC(=O)CCC[NH+]3CCC([NH3+])CC3)C2=O)cn1 ZINC000433170153 489870045 /nfs/dbraw/zinc/87/00/45/489870045.db2.gz UPUHFBMENWGZRE-MRXNPFEDSA-N 2 0 362.478 0.235 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266223 489876894 /nfs/dbraw/zinc/87/68/94/489876894.db2.gz JDJYTPLCUWKXAY-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000420018841 489881922 /nfs/dbraw/zinc/88/19/22/489881922.db2.gz QFXXICKARPIESX-RDJZCZTQSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420023368 489883857 /nfs/dbraw/zinc/88/38/57/489883857.db2.gz XFZLZLNEYLMRCI-DLBZAZTESA-N 2 0 366.506 0.191 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC000433451432 489885406 /nfs/dbraw/zinc/88/54/06/489885406.db2.gz BVZZMEZZQHJCPL-ROUUACIJSA-N 2 0 368.522 0.851 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420031624 489887507 /nfs/dbraw/zinc/88/75/07/489887507.db2.gz HKAWPNWRGRTINR-ZFWWWQNUSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420043312 489891953 /nfs/dbraw/zinc/89/19/53/489891953.db2.gz RSAHSIMEDJIUAO-RRFJBIMHSA-N 2 0 354.495 0.548 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608757 489892938 /nfs/dbraw/zinc/89/29/38/489892938.db2.gz LPTUGCWJQCPXEI-DOTOQJQBSA-N 2 0 365.522 0.890 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608761 489893179 /nfs/dbraw/zinc/89/31/79/489893179.db2.gz LPTUGCWJQCPXEI-RDJZCZTQSA-N 2 0 365.522 0.890 20 0 FCADRP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420060794 489897753 /nfs/dbraw/zinc/89/77/53/489897753.db2.gz KUJYZFSTJCSRKU-ROUUACIJSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000420061327 489899320 /nfs/dbraw/zinc/89/93/20/489899320.db2.gz QYDFEWKMMKPTRK-KRWDZBQOSA-N 2 0 366.506 0.191 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064847 489899804 /nfs/dbraw/zinc/89/98/04/489899804.db2.gz OYHFQPWENXRXNK-GDBMZVCRSA-N 2 0 354.495 0.189 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@H]2C1 ZINC000420064805 489900318 /nfs/dbraw/zinc/90/03/18/489900318.db2.gz WOIGORCWRNKQPA-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420070671 489903796 /nfs/dbraw/zinc/90/37/96/489903796.db2.gz WXAAFADIDOTPKH-INIZCTEOSA-N 2 0 368.428 0.709 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000420085489 489906410 /nfs/dbraw/zinc/90/64/10/489906410.db2.gz XNHMFKJJQCWCDS-AWEZNQCLSA-N 2 0 354.495 0.332 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000494713824 489906871 /nfs/dbraw/zinc/90/68/71/489906871.db2.gz VLTUEVGZGHTJJR-MSOLQXFVSA-N 2 0 352.523 0.772 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420087413 489907286 /nfs/dbraw/zinc/90/72/86/489907286.db2.gz POQXRKICXBDWRY-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420090102 489908051 /nfs/dbraw/zinc/90/80/51/489908051.db2.gz FYCMVRGQWOMACQ-XJKSGUPXSA-N 2 0 368.428 0.547 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420092242 489909764 /nfs/dbraw/zinc/90/97/64/489909764.db2.gz VRVXASSICUZTAB-JKSUJKDBSA-N 2 0 354.495 0.189 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000420131261 489923611 /nfs/dbraw/zinc/92/36/11/489923611.db2.gz WZTOZSWQCWMKSR-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000420135783 489925808 /nfs/dbraw/zinc/92/58/08/489925808.db2.gz VRCNJFPDWSQKGX-OWCLPIDISA-N 2 0 354.495 0.202 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000495125618 489927500 /nfs/dbraw/zinc/92/75/00/489927500.db2.gz AXOGKRGJOFMYBJ-HZPDHXFCSA-N 2 0 370.538 0.972 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000420151738 489932378 /nfs/dbraw/zinc/93/23/78/489932378.db2.gz YUKJPQJPFLKESC-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420154892 489934183 /nfs/dbraw/zinc/93/41/83/489934183.db2.gz STUTXVSOTWTIQG-UHFFFAOYSA-N 2 0 362.449 0.752 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC[C@H]21 ZINC000420157832 489935067 /nfs/dbraw/zinc/93/50/67/489935067.db2.gz GUWDRVJBZYMXTN-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420160363 489936767 /nfs/dbraw/zinc/93/67/67/489936767.db2.gz UPUYUAMEQZWMEO-OAGGEKHMSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420168451 489937940 /nfs/dbraw/zinc/93/79/40/489937940.db2.gz KJSCMKADASZCFR-ZACQAIPSSA-N 2 0 367.538 0.118 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420185114 489944088 /nfs/dbraw/zinc/94/40/88/489944088.db2.gz JKNLWUJUAUVLHL-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000420188622 489945823 /nfs/dbraw/zinc/94/58/23/489945823.db2.gz FOWCPQSNRLYKHS-LSDHHAIUSA-N 2 0 350.463 0.722 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420190736 489946737 /nfs/dbraw/zinc/94/67/37/489946737.db2.gz HFVZSZAEUWAMBK-HOCLYGCPSA-N 2 0 364.465 0.960 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000420201221 489949919 /nfs/dbraw/zinc/94/99/19/489949919.db2.gz NDCZBCDTWRUQIK-DLBZAZTESA-N 2 0 350.507 0.955 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCN1CCOC ZINC000420212199 489953613 /nfs/dbraw/zinc/95/36/13/489953613.db2.gz TWNCYCMRAPRVRS-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]1 ZINC000571186343 491291047 /nfs/dbraw/zinc/29/10/47/491291047.db2.gz ALEGNCJLLUUHIM-SWLSCSKDSA-N 2 0 352.866 0.879 20 0 FCADRP Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)on2)cn1 ZINC000420289337 489960170 /nfs/dbraw/zinc/96/01/70/489960170.db2.gz IAWMYLKFXRYTPX-CQSZACIVSA-N 2 0 358.446 0.719 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420319764 489962393 /nfs/dbraw/zinc/96/23/93/489962393.db2.gz SCULWIKRPWANDL-AWEZNQCLSA-N 2 0 363.462 0.857 20 0 FCADRP [NH3+]CCC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)CC1CCCC1 ZINC000420313424 489962729 /nfs/dbraw/zinc/96/27/29/489962729.db2.gz JVORFBIPEOYIJK-UHFFFAOYSA-N 2 0 360.506 0.966 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420348219 489965709 /nfs/dbraw/zinc/96/57/09/489965709.db2.gz KEOVGRRCLKXSDL-SNRMKQJTSA-N 2 0 360.502 0.420 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373811 489968503 /nfs/dbraw/zinc/96/85/03/489968503.db2.gz NGWMVYBKGMRXKS-PKOBYXMFSA-N 2 0 352.523 0.535 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420407644 489972722 /nfs/dbraw/zinc/97/27/22/489972722.db2.gz UVVWYHSNHBQLMW-DOMZBBRYSA-N 2 0 357.524 0.952 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C[NH2+]1 ZINC000420409917 489972844 /nfs/dbraw/zinc/97/28/44/489972844.db2.gz XPJCMNRJWMHVOI-SJORKVTESA-N 2 0 352.523 0.820 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000420433786 489975532 /nfs/dbraw/zinc/97/55/32/489975532.db2.gz QTNHJESCKUOBLK-HNNXBMFYSA-N 2 0 357.524 0.811 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420441492 489977264 /nfs/dbraw/zinc/97/72/64/489977264.db2.gz VXDZMBXNIHLTSB-INIZCTEOSA-N 2 0 357.524 0.730 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477625167 489979441 /nfs/dbraw/zinc/97/94/41/489979441.db2.gz HDNIHURRYDWVKI-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1Cl ZINC000420466303 489982153 /nfs/dbraw/zinc/98/21/53/489982153.db2.gz ZXNNGOIMXXZGAV-UHFFFAOYSA-N 2 0 362.883 0.987 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000477683579 489983997 /nfs/dbraw/zinc/98/39/97/489983997.db2.gz PGUNTSYUBAPHLV-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CCc1cnccc1[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000571207628 491293041 /nfs/dbraw/zinc/29/30/41/491293041.db2.gz WLYRDEFEQALHNR-OAHLLOKOSA-N 2 0 363.506 0.773 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000463080920 490001166 /nfs/dbraw/zinc/00/11/66/490001166.db2.gz AOSHDSPSMNSBLZ-IBGZPJMESA-N 2 0 354.539 0.436 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccnc(C[NH3+])c3)CC2)C1 ZINC000463494327 490020887 /nfs/dbraw/zinc/02/08/87/490020887.db2.gz NQWOHETVLBODDE-SFHVURJKSA-N 2 0 361.490 0.407 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000378250316 490033775 /nfs/dbraw/zinc/03/37/75/490033775.db2.gz STRSCATWPXVPTL-KRWDZBQOSA-N 2 0 355.527 0.375 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906203 490052643 /nfs/dbraw/zinc/05/26/43/490052643.db2.gz PPDCUSPYDNKRPY-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1=CC[N@H+](C)CC1 ZINC000442341743 490059252 /nfs/dbraw/zinc/05/92/52/490059252.db2.gz QKSXFWDKPVHATI-CYBMUJFWSA-N 2 0 354.414 0.972 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556122772 491296516 /nfs/dbraw/zinc/29/65/16/491296516.db2.gz DTOGHOYWWVFOLW-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057610 490066273 /nfs/dbraw/zinc/06/62/73/490066273.db2.gz HIQHQQSFBJZWJR-OAHLLOKOSA-N 2 0 362.474 0.964 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479202159 490072899 /nfs/dbraw/zinc/07/28/99/490072899.db2.gz BEJURKOVLFGJBG-QGZVFWFLSA-N 2 0 364.465 0.881 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000506372981 490083229 /nfs/dbraw/zinc/08/32/29/490083229.db2.gz RPDCXFIRBRCTNW-JFIYKMOQSA-N 2 0 356.511 0.366 20 0 FCADRP CN(C[C@@H]1CCC[NH+]1C)C(=O)CC(O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422042255 490130074 /nfs/dbraw/zinc/13/00/74/490130074.db2.gz VSGYYVBORXKCCJ-HOTGVXAUSA-N 2 0 368.522 0.233 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422042251 490130668 /nfs/dbraw/zinc/13/06/68/490130668.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 2 0 368.522 0.233 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000520377448 490140984 /nfs/dbraw/zinc/14/09/84/490140984.db2.gz LTHWMTWTLWCMBV-GJZGRUSLSA-N 2 0 368.865 0.245 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446051617 490150448 /nfs/dbraw/zinc/15/04/48/490150448.db2.gz IEYWGVOQHHTXOZ-INIZCTEOSA-N 2 0 361.490 0.091 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947093 490155506 /nfs/dbraw/zinc/15/55/06/490155506.db2.gz HQQWTCJKDBKBFD-IAGOWNOFSA-N 2 0 355.527 0.280 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000520695001 490180690 /nfs/dbraw/zinc/18/06/90/490180690.db2.gz KDHAXYAFLJSWKJ-DWRORGKVSA-N 2 0 357.539 0.481 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000520726515 490183890 /nfs/dbraw/zinc/18/38/90/490183890.db2.gz UMXYTEITIFIILN-ROUUACIJSA-N 2 0 366.554 0.044 20 0 FCADRP Cn1cc(-n2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2=O)cn1 ZINC000546201472 490207361 /nfs/dbraw/zinc/20/73/61/490207361.db2.gz JEISACYWCLVACE-UHFFFAOYSA-N 2 0 360.462 0.136 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000497790937 490216561 /nfs/dbraw/zinc/21/65/61/490216561.db2.gz OBIYNWDJFZQHLK-INIZCTEOSA-N 2 0 355.504 0.905 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000480637118 490219346 /nfs/dbraw/zinc/21/93/46/490219346.db2.gz AWKWHQJYMHYSLG-SWLSCSKDSA-N 2 0 357.524 0.823 20 0 FCADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000497919599 490232341 /nfs/dbraw/zinc/23/23/41/490232341.db2.gz OZOSQJNSOHCIOT-JKSUJKDBSA-N 2 0 359.536 0.863 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000497945742 490236143 /nfs/dbraw/zinc/23/61/43/490236143.db2.gz CHVGKTRVLOWCDT-DZGCQCFKSA-N 2 0 355.504 0.994 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000571471106 491310088 /nfs/dbraw/zinc/31/00/88/491310088.db2.gz IWILATSYKOKNAS-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000556343969 491310400 /nfs/dbraw/zinc/31/04/00/491310400.db2.gz DQMNXTBBUHDSQU-CALCHBBNSA-N 2 0 370.453 0.103 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344038 490269450 /nfs/dbraw/zinc/26/94/50/490269450.db2.gz USASOMCAOFDZBE-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1C ZINC000498240000 490275965 /nfs/dbraw/zinc/27/59/65/490275965.db2.gz PKVRTIFMLMYJDN-HRCADAONSA-N 2 0 353.511 0.698 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521650922 490285763 /nfs/dbraw/zinc/28/57/63/490285763.db2.gz JKULZQWYCBUEQN-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000533815241 490285940 /nfs/dbraw/zinc/28/59/40/490285940.db2.gz KPCJREUQOGWFSM-QKPAOTATSA-N 2 0 370.563 0.917 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000533815236 490286709 /nfs/dbraw/zinc/28/67/09/490286709.db2.gz KPCJREUQOGWFSM-GEEKYZPCSA-N 2 0 370.563 0.917 20 0 FCADRP OC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000447909822 490290628 /nfs/dbraw/zinc/29/06/28/490290628.db2.gz DRVANTSPFNWZLP-YRPNKDGESA-N 2 0 364.486 0.946 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000447954356 490305060 /nfs/dbraw/zinc/30/50/60/490305060.db2.gz LFXAEDWCCBPJGL-CABCVRRESA-N 2 0 353.511 0.746 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437170 490319362 /nfs/dbraw/zinc/31/93/62/490319362.db2.gz YZGDLFZDVFRUCJ-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CC1 ZINC000422456939 490330297 /nfs/dbraw/zinc/33/02/97/490330297.db2.gz RVVOGWBEKXXMEE-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)cn2)CC1 ZINC000467704838 490332481 /nfs/dbraw/zinc/33/24/81/490332481.db2.gz IKNWKAYRFMLMHQ-ALOPSCKCSA-N 2 0 371.485 0.264 20 0 FCADRP CNc1nc(N2CC[NH+](C(C)C)CC2)nc(N2CC[NH+](C(C)C)CC2)n1 ZINC000467711562 490333147 /nfs/dbraw/zinc/33/31/47/490333147.db2.gz UUEVQSYVHLKTKG-UHFFFAOYSA-N 2 0 362.526 0.396 20 0 FCADRP CC[NH+]1CCCN(c2nc(NC)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000467781566 490338550 /nfs/dbraw/zinc/33/85/50/490338550.db2.gz BPNLCYRYDUFBQV-UHFFFAOYSA-N 2 0 362.526 0.399 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000483803364 490345974 /nfs/dbraw/zinc/34/59/74/490345974.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 0 351.470 0.803 20 0 FCADRP C[N@@H+]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000508719678 490353638 /nfs/dbraw/zinc/35/36/38/490353638.db2.gz OWNSIGYHZPQONI-UHFFFAOYSA-N 2 0 352.523 0.775 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000498946851 490368615 /nfs/dbraw/zinc/36/86/15/490368615.db2.gz FXLATCPSDBANDQ-INIZCTEOSA-N 2 0 350.507 0.943 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953828 490371267 /nfs/dbraw/zinc/37/12/67/490371267.db2.gz DSRJYBNVGUKPLR-IAGOWNOFSA-N 2 0 350.507 0.943 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000484188341 490394508 /nfs/dbraw/zinc/39/45/08/490394508.db2.gz KQISLXDLJFMXTB-UHFFFAOYSA-N 2 0 371.507 0.075 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624905 490430777 /nfs/dbraw/zinc/43/07/77/490430777.db2.gz DYODNEXPKAXJFT-UHFFFAOYSA-N 2 0 368.522 0.545 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc1OCC[NH+](C)C ZINC000411338919 490432937 /nfs/dbraw/zinc/43/29/37/490432937.db2.gz KXSJHDFABCJUIJ-UHFFFAOYSA-N 2 0 350.463 0.894 20 0 FCADRP C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422634156 490437229 /nfs/dbraw/zinc/43/72/29/490437229.db2.gz JFSANZSEKYGQAT-JHJVBQTASA-N 2 0 354.476 0.578 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000450133872 490445287 /nfs/dbraw/zinc/44/52/87/490445287.db2.gz MXDRLWZTQUFOKI-DOTOQJQBSA-N 2 0 365.474 0.895 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C)n1 ZINC000411399460 490449839 /nfs/dbraw/zinc/44/98/39/490449839.db2.gz LMHLHLFIWPKHNH-HNNXBMFYSA-N 2 0 362.478 0.598 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422709176 490462074 /nfs/dbraw/zinc/46/20/74/490462074.db2.gz JXFDLAGHTVSXBA-RTBURBONSA-N 2 0 360.502 0.817 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000422758064 490471726 /nfs/dbraw/zinc/47/17/26/490471726.db2.gz KBWNEMJIYOXWKG-SJORKVTESA-N 2 0 350.507 0.955 20 0 FCADRP CN(C(=O)CSCC(=O)N(C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000535263358 490471882 /nfs/dbraw/zinc/47/18/82/490471882.db2.gz WEVVVNQVGKGEOF-UHFFFAOYSA-N 2 0 370.563 0.825 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422771856 490474669 /nfs/dbraw/zinc/47/46/69/490474669.db2.gz RRTBPLGSLBXFCC-OALUTQOASA-N 2 0 360.502 0.687 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422771855 490475395 /nfs/dbraw/zinc/47/53/95/490475395.db2.gz RRTBPLGSLBXFCC-MOPGFXCFSA-N 2 0 360.502 0.687 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000422817378 490479816 /nfs/dbraw/zinc/47/98/16/490479816.db2.gz HKYYMNHWTGDGPH-INIZCTEOSA-N 3 0 354.539 0.923 20 0 FCADRP CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523630536 490480391 /nfs/dbraw/zinc/48/03/91/490480391.db2.gz SFVLXMDDJRNVIS-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837261 490483628 /nfs/dbraw/zinc/48/36/28/490483628.db2.gz LRUVRSHFTVDYRG-RDJZCZTQSA-N 2 0 354.539 0.970 20 0 FCADRP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)nc(NC(C)(C)C)n1)[NH+](C)C ZINC000450818986 490491676 /nfs/dbraw/zinc/49/16/76/490491676.db2.gz JPMQGIGWVKHHHE-STQMWFEESA-N 2 0 352.531 0.650 20 0 FCADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422910357 490495385 /nfs/dbraw/zinc/49/53/85/490495385.db2.gz HUXGQIMHHGPMFD-KZNAEPCWSA-N 2 0 352.523 0.820 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000523776745 490495559 /nfs/dbraw/zinc/49/55/59/490495559.db2.gz PHKPEVCJLHBNGT-INIZCTEOSA-N 2 0 367.538 0.912 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980171 490510574 /nfs/dbraw/zinc/51/05/74/490510574.db2.gz OSNHDWJAYBPJAK-IAGOWNOFSA-N 3 0 355.523 0.990 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000500431570 490515463 /nfs/dbraw/zinc/51/54/63/490515463.db2.gz KEBXJELCGJCHCJ-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423035747 490526175 /nfs/dbraw/zinc/52/61/75/490526175.db2.gz JXTGEHJSGJMSJE-GOSISDBHSA-N 2 0 358.486 0.789 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423038586 490527231 /nfs/dbraw/zinc/52/72/31/490527231.db2.gz OMVSXZXVTIVCGL-SFHVURJKSA-N 2 0 358.486 0.931 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423058766 490531693 /nfs/dbraw/zinc/53/16/93/490531693.db2.gz DBFSJMDBSCTCHT-DLBZAZTESA-N 2 0 352.523 0.881 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063606 490533196 /nfs/dbraw/zinc/53/31/96/490533196.db2.gz WQSDPMSCCYFCIK-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000571865477 491333964 /nfs/dbraw/zinc/33/39/64/491333964.db2.gz JZUKLODGZRQODF-AWEZNQCLSA-N 2 0 365.444 0.806 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000485482530 490533875 /nfs/dbraw/zinc/53/38/75/490533875.db2.gz SVAGQBYMDFHTAH-IRXDYDNUSA-N 2 0 366.506 0.081 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423067362 490535075 /nfs/dbraw/zinc/53/50/75/490535075.db2.gz ZEXQGBZWLWQDOZ-SJORKVTESA-N 2 0 368.522 0.387 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000485499883 490536338 /nfs/dbraw/zinc/53/63/38/490536338.db2.gz DRDOKNWBPRLWDV-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000485509122 490536907 /nfs/dbraw/zinc/53/69/07/490536907.db2.gz XHQMWJKQCAVTHL-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510807370 490541564 /nfs/dbraw/zinc/54/15/64/490541564.db2.gz BOCLPQJNFPJYOD-IRXDYDNUSA-N 2 0 360.568 0.853 20 0 FCADRP C[C@@H](CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nccs1 ZINC000571884989 491335523 /nfs/dbraw/zinc/33/55/23/491335523.db2.gz PBNHSVSYSBLHPH-AWEZNQCLSA-N 2 0 369.535 0.657 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830066 490562082 /nfs/dbraw/zinc/56/20/82/490562082.db2.gz MTJOQLDZGABUSO-HOTGVXAUSA-N 2 0 363.510 0.206 20 0 FCADRP C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000536233633 490563406 /nfs/dbraw/zinc/56/34/06/490563406.db2.gz VNLZRBQZXSVHMZ-QGZVFWFLSA-N 2 0 368.570 0.195 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524817934 490563727 /nfs/dbraw/zinc/56/37/27/490563727.db2.gz DRKTWCNQMWGHBL-NRFANRHFSA-N 2 0 374.529 0.767 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000524851870 490564532 /nfs/dbraw/zinc/56/45/32/490564532.db2.gz KDXCOBKYMDYDNG-GOSISDBHSA-N 2 0 354.539 0.923 20 0 FCADRP Cc1ccc(C(=O)NCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000524922146 490569801 /nfs/dbraw/zinc/56/98/01/490569801.db2.gz WCHBMCISSQFZOD-UHFFFAOYSA-N 2 0 363.506 0.860 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000556796038 491337226 /nfs/dbraw/zinc/33/72/26/491337226.db2.gz VCVOWGRNVZHWRW-SFHVURJKSA-N 2 0 360.502 0.954 20 0 FCADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549582224 490591102 /nfs/dbraw/zinc/59/11/02/490591102.db2.gz GBMFCTFTCULEED-UHFFFAOYSA-N 2 0 363.506 0.813 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374321 490600448 /nfs/dbraw/zinc/60/04/48/490600448.db2.gz BIKWYPDUUMNKNK-CVEARBPZSA-N 2 0 353.511 0.605 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000550014674 490618927 /nfs/dbraw/zinc/61/89/27/490618927.db2.gz CBVCJFHBFBUDGI-SJORKVTESA-N 2 0 356.470 0.730 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550107320 490626062 /nfs/dbraw/zinc/62/60/62/490626062.db2.gz IPAWKVAIAZVTBZ-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000501628692 490626304 /nfs/dbraw/zinc/62/63/04/490626304.db2.gz JMUVAUBMDUJJKY-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000550121593 490626969 /nfs/dbraw/zinc/62/69/69/490626969.db2.gz NBUBPAMCIQENFH-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP Cc1nc2ccccc2n1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550125319 490628902 /nfs/dbraw/zinc/62/89/02/490628902.db2.gz WNZGODXIRRPBPB-AWEZNQCLSA-N 2 0 355.442 0.814 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645987 490631065 /nfs/dbraw/zinc/63/10/65/490631065.db2.gz MVKHMZJKRPNDNY-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000525882704 490645913 /nfs/dbraw/zinc/64/59/13/490645913.db2.gz DWXPBGSDRQOPOU-UHFFFAOYSA-N 2 0 350.419 0.306 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000572001991 491342388 /nfs/dbraw/zinc/34/23/88/491342388.db2.gz XXCXOMRPEOQOAY-KGLIPLIRSA-N 2 0 350.463 0.485 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000572013088 491342755 /nfs/dbraw/zinc/34/27/55/491342755.db2.gz GJEGIGQDLCCTKI-MRXNPFEDSA-N 2 0 370.457 0.483 20 0 FCADRP C[C@@H]1CC[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000537159584 490655124 /nfs/dbraw/zinc/65/51/24/490655124.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000564989350 491344477 /nfs/dbraw/zinc/34/44/77/491344477.db2.gz XSHXQIGIGVJXHX-CABCVRRESA-N 2 0 350.463 0.679 20 0 FCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000526131848 490677279 /nfs/dbraw/zinc/67/72/79/490677279.db2.gz PJDOYNLNWNNECE-UHFFFAOYSA-N 2 0 366.462 0.594 20 0 FCADRP COC(=O)c1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132135 490678366 /nfs/dbraw/zinc/67/83/66/490678366.db2.gz DHKJPBSBEQEKAH-UHFFFAOYSA-N 2 0 364.446 0.364 20 0 FCADRP CC(=O)Nc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000526132002 490678486 /nfs/dbraw/zinc/67/84/86/490678486.db2.gz VKPJTODWOHRDIA-UHFFFAOYSA-N 2 0 363.462 0.535 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487073966 490691245 /nfs/dbraw/zinc/69/12/45/490691245.db2.gz QNTBVSCSAWGDIT-BQULAQKPSA-N 2 0 364.534 0.830 20 0 FCADRP CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512646912 490691913 /nfs/dbraw/zinc/69/19/13/490691913.db2.gz FHJVMJQFBASBCH-UHFFFAOYSA-N 2 0 355.527 0.160 20 0 FCADRP [NH3+]C1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000512954536 490704941 /nfs/dbraw/zinc/70/49/41/490704941.db2.gz IFSXWSQSERQFJV-UHFFFAOYSA-N 2 0 360.502 0.818 20 0 FCADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@H]2C1 ZINC000502721888 490717830 /nfs/dbraw/zinc/71/78/30/490717830.db2.gz OOIJODBWXOHMPI-FGTMMUONSA-N 2 0 351.491 0.951 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015091 491349604 /nfs/dbraw/zinc/34/96/04/491349604.db2.gz BFCQJIWTYSNGKR-IRXDYDNUSA-N 2 0 367.538 0.070 20 0 FCADRP Cc1c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1-n1cnnn1 ZINC000527376799 490721777 /nfs/dbraw/zinc/72/17/77/490721777.db2.gz OKJLSTAQPODQLW-UHFFFAOYSA-N 2 0 360.466 0.928 20 0 FCADRP C[NH+]1CC=C(CNC(=O)CSCC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000538337263 490727156 /nfs/dbraw/zinc/72/71/56/490727156.db2.gz KTURIIGAKROHKI-UHFFFAOYSA-N 2 0 366.531 0.476 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCC1=O ZINC000565069752 491350313 /nfs/dbraw/zinc/35/03/13/491350313.db2.gz KSNOGAHNQRWJJG-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000538415265 490732354 /nfs/dbraw/zinc/73/23/54/490732354.db2.gz FANDGRKFFBVRRX-UHFFFAOYSA-N 2 0 352.479 0.998 20 0 FCADRP Cc1sc2ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n2c1C ZINC000538429482 490734480 /nfs/dbraw/zinc/73/44/80/490734480.db2.gz NINNLTTWTNLHNM-UHFFFAOYSA-N 2 0 365.503 0.938 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000488073956 490744766 /nfs/dbraw/zinc/74/47/66/490744766.db2.gz MMAWZBDMDNTBMP-ZWKOTPCHSA-N 2 0 354.539 0.731 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000488073954 490744855 /nfs/dbraw/zinc/74/48/55/490744855.db2.gz MMAWZBDMDNTBMP-QZTJIDSGSA-N 2 0 354.539 0.731 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CCC1 ZINC000488351133 490756580 /nfs/dbraw/zinc/75/65/80/490756580.db2.gz FBDSUBFROQVDCO-LVQVYYBASA-N 2 0 350.507 0.537 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663242 490779461 /nfs/dbraw/zinc/77/94/61/490779461.db2.gz HZUGRZLEGQFEDN-LSDHHAIUSA-N 2 0 359.465 0.795 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000514788295 490788185 /nfs/dbraw/zinc/78/81/85/490788185.db2.gz HWOPHPDEIDHVMT-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000514951227 490799654 /nfs/dbraw/zinc/79/96/54/490799654.db2.gz LFCROGXRCBFSSE-HZPDHXFCSA-N 2 0 351.495 0.594 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C1 ZINC000515062825 490806279 /nfs/dbraw/zinc/80/62/79/490806279.db2.gz FCAPADVAEXCIFI-HNNXBMFYSA-N 2 0 360.458 0.701 20 0 FCADRP O=C(NCC[NH+]1CCC1)C12CCC(C(=O)NCC[NH+]3CCC3)(CC1)CC2 ZINC000515365113 490821514 /nfs/dbraw/zinc/82/15/14/490821514.db2.gz WFSDWMAFWFAWBR-UHFFFAOYSA-N 2 0 362.518 0.971 20 0 FCADRP Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000557183068 491358164 /nfs/dbraw/zinc/35/81/64/491358164.db2.gz FFKYFHCKSVTWDS-DLBZAZTESA-N 2 0 362.474 0.947 20 0 FCADRP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000515413395 490825121 /nfs/dbraw/zinc/82/51/21/490825121.db2.gz JUHSSVYPQUTMDU-OKZBNKHCSA-N 2 0 360.502 0.840 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515620984 490833483 /nfs/dbraw/zinc/83/34/83/490833483.db2.gz RGPJSKSUOSDBOB-RYRKJORJSA-N 2 0 365.522 0.615 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515838045 490840637 /nfs/dbraw/zinc/84/06/37/490840637.db2.gz MOIOBWUDXDLORN-UHFFFAOYSA-N 2 0 357.462 0.939 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000516056328 490847844 /nfs/dbraw/zinc/84/78/44/490847844.db2.gz RSAAZFFUZXBWMP-GOSISDBHSA-N 2 0 373.501 0.183 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529298940 490848352 /nfs/dbraw/zinc/84/83/52/490848352.db2.gz JDCSCOFCXLHIPK-INIZCTEOSA-N 2 0 358.490 0.917 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303546 490848579 /nfs/dbraw/zinc/84/85/79/490848579.db2.gz OIJXUOCYKPVZQM-HOTGVXAUSA-N 2 0 353.511 0.569 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367602 490856694 /nfs/dbraw/zinc/85/66/94/490856694.db2.gz RFOGNAQNBJNRJY-HNNXBMFYSA-N 2 0 351.495 0.467 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529377923 490858464 /nfs/dbraw/zinc/85/84/64/490858464.db2.gz HXKIPTAFLZSFDJ-HLLBOEOZSA-N 2 0 354.495 0.506 20 0 FCADRP COC[C@]1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]C1 ZINC000516567777 490868491 /nfs/dbraw/zinc/86/84/91/490868491.db2.gz BUSUHXBMXOPCIW-IBGZPJMESA-N 2 0 368.522 0.355 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000516865149 490881559 /nfs/dbraw/zinc/88/15/59/490881559.db2.gz QQVXULMZBKGVKY-QGZVFWFLSA-N 2 0 374.489 0.188 20 0 FCADRP CN1CCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C[NH3+])C1 ZINC000516916121 490884309 /nfs/dbraw/zinc/88/43/09/490884309.db2.gz QZDCJGFCSGFIBG-AWEZNQCLSA-N 2 0 373.457 0.347 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000516960685 490887524 /nfs/dbraw/zinc/88/75/24/490887524.db2.gz BTKBZKQPAKEARA-UHFFFAOYSA-N 2 0 360.502 0.706 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000517044388 490892713 /nfs/dbraw/zinc/89/27/13/490892713.db2.gz ZFZIUZSUGMEMSN-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241523 490894989 /nfs/dbraw/zinc/89/49/89/490894989.db2.gz QNZSUOZJPONMNJ-CRAIPNDOSA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243396 490895192 /nfs/dbraw/zinc/89/51/92/490895192.db2.gz XSUBYMOWFIUEMG-WMZOPIPTSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000517616451 490914490 /nfs/dbraw/zinc/91/44/90/490914490.db2.gz KWYDQNANWWELBI-IAGOWNOFSA-N 2 0 368.522 0.279 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000517743833 490919020 /nfs/dbraw/zinc/91/90/20/490919020.db2.gz USYLLZLQPOUGDN-UHFFFAOYSA-N 2 0 351.495 0.420 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000517895534 490923679 /nfs/dbraw/zinc/92/36/79/490923679.db2.gz VEKIUSLMHKTBRL-GJZGRUSLSA-N 2 0 360.458 0.763 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777986 490923793 /nfs/dbraw/zinc/92/37/93/490923793.db2.gz CBOAICNRADNPBT-ZWKOTPCHSA-N 2 0 372.579 0.758 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000517895536 490923771 /nfs/dbraw/zinc/92/37/71/490923771.db2.gz VEKIUSLMHKTBRL-LSDHHAIUSA-N 2 0 360.458 0.763 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)N(C)C ZINC000517885082 490923925 /nfs/dbraw/zinc/92/39/25/490923925.db2.gz UZTUAMCYAHPPAJ-GOEBONIOSA-N 2 0 350.463 0.928 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000518290682 490936145 /nfs/dbraw/zinc/93/61/45/490936145.db2.gz MJAANXCMJISDSD-UHFFFAOYSA-N 2 0 353.511 0.714 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000518348504 490936819 /nfs/dbraw/zinc/93/68/19/490936819.db2.gz SLAHYHGHEAKKFA-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP COCC1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000518360177 490938013 /nfs/dbraw/zinc/93/80/13/490938013.db2.gz RFJLWFJIBNDDPK-UHFFFAOYSA-N 2 0 356.511 0.260 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054878 490938131 /nfs/dbraw/zinc/93/81/31/490938131.db2.gz XFQKTRZHEQWUNN-FXAWDEMLSA-N 2 0 374.485 0.079 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054881 490938143 /nfs/dbraw/zinc/93/81/43/490938143.db2.gz XFQKTRZHEQWUNN-YLJYHZDGSA-N 2 0 374.485 0.079 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000531118522 490941678 /nfs/dbraw/zinc/94/16/78/490941678.db2.gz PUFBRLLQBNMWOX-UHFFFAOYSA-N 2 0 364.446 0.097 20 0 FCADRP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300882 490951387 /nfs/dbraw/zinc/95/13/87/490951387.db2.gz XGKCPJFAUNTEQM-YLJYHZDGSA-N 2 0 361.486 0.708 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797895 490952316 /nfs/dbraw/zinc/95/23/16/490952316.db2.gz YGJZUMCIWSPKEF-IAGOWNOFSA-N 2 0 363.506 0.737 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000531366150 490954639 /nfs/dbraw/zinc/95/46/39/490954639.db2.gz OHYQJCVASKOGRS-QGZVFWFLSA-N 2 0 357.568 0.751 20 0 FCADRP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000519007610 490958972 /nfs/dbraw/zinc/95/89/72/490958972.db2.gz ZITDXTLCYVSLMP-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+]1CC[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3CC[N@@H+](C)C3)C2(C)C)C1 ZINC000531491533 490960750 /nfs/dbraw/zinc/96/07/50/490960750.db2.gz NSJMVABUMMNFQG-MWABVPJASA-N 2 0 364.534 0.925 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531935305 490981185 /nfs/dbraw/zinc/98/11/85/490981185.db2.gz YUEHXSPKPGCUAC-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519690218 490984203 /nfs/dbraw/zinc/98/42/03/490984203.db2.gz AVUADEVVECMXKM-QBPKDAKJSA-N 2 0 354.495 0.778 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067610 490985137 /nfs/dbraw/zinc/98/51/37/490985137.db2.gz PSZMVTUJTJUEMP-NVXWUHKLSA-N 2 0 365.522 0.665 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067612 490985362 /nfs/dbraw/zinc/98/53/62/490985362.db2.gz PSZMVTUJTJUEMP-WBVHZDCISA-N 2 0 365.522 0.665 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000532136360 490988704 /nfs/dbraw/zinc/98/87/04/490988704.db2.gz SZQCIMCLHKYITE-MRXNPFEDSA-N 2 0 355.527 0.157 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315167 490990869 /nfs/dbraw/zinc/99/08/69/490990869.db2.gz NXRLDAAKOHANBR-RHSMWYFYSA-N 2 0 365.522 0.711 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000569500257 491164506 /nfs/dbraw/zinc/16/45/06/491164506.db2.gz CCCBEIXGTSMVPU-UHFFFAOYSA-N 2 0 358.446 0.945 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000569499787 491164558 /nfs/dbraw/zinc/16/45/58/491164558.db2.gz YQSMSQIPKWXGHR-UHFFFAOYSA-N 2 0 370.538 0.791 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000554029327 491170905 /nfs/dbraw/zinc/17/09/05/491170905.db2.gz GKDCGXIPDJVQFP-JKSUJKDBSA-N 2 0 368.522 0.545 20 0 FCADRP Cc1cn(C)c(CC(=O)N[C@@H](C)C[NH+](C)C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000554135293 491179843 /nfs/dbraw/zinc/17/98/43/491179843.db2.gz CIWBQQAJVWUFNE-GJZGRUSLSA-N 2 0 365.522 0.622 20 0 FCADRP CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1c1ncc[nH]1 ZINC000562689608 491181006 /nfs/dbraw/zinc/18/10/06/491181006.db2.gz ARSDNJKBYHJCDW-AWEZNQCLSA-N 2 0 350.467 0.025 20 0 FCADRP Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000565488714 491379925 /nfs/dbraw/zinc/37/99/25/491379925.db2.gz DSLYMUISGVKVKO-BJZITVGISA-N 2 0 374.489 0.867 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540229 491383400 /nfs/dbraw/zinc/38/34/00/491383400.db2.gz MTCRJODAVWWSGM-WBVHZDCISA-N 2 0 374.485 0.390 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000572663852 491385550 /nfs/dbraw/zinc/38/55/50/491385550.db2.gz YLJMWDUWZUWZAQ-UHFFFAOYSA-N 2 0 361.490 0.122 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3ccnc3C2)CCN1C ZINC000660280925 493338989 /nfs/dbraw/zinc/33/89/89/493338989.db2.gz KQONFYXAHWAAIP-HOTGVXAUSA-N 2 0 361.490 0.703 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000572726116 491389219 /nfs/dbraw/zinc/38/92/19/491389219.db2.gz KJTJYHIFKVHXAJ-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000565668535 491392364 /nfs/dbraw/zinc/39/23/64/491392364.db2.gz BPBCXQKIKSZAOI-OAGGEKHMSA-N 2 0 351.495 0.308 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000572781906 491393709 /nfs/dbraw/zinc/39/37/09/491393709.db2.gz BRLHMSZQEHLXJL-UHFFFAOYSA-N 2 0 373.461 0.561 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557741278 491395185 /nfs/dbraw/zinc/39/51/85/491395185.db2.gz JSFQEICDJGYXTI-MRXNPFEDSA-N 3 0 367.538 0.071 20 0 FCADRP Cc1cc(C)cc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000557825110 491399249 /nfs/dbraw/zinc/39/92/49/491399249.db2.gz PSVOUWBSWZTOQU-UHFFFAOYSA-N 2 0 362.518 0.914 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000572943898 491403335 /nfs/dbraw/zinc/40/33/35/491403335.db2.gz DUGQPHRBUHBFKI-GOSISDBHSA-N 2 0 373.501 0.628 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904613 491404540 /nfs/dbraw/zinc/40/45/40/491404540.db2.gz JDEKQANPOUMASC-HOCLYGCPSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566004796 491411595 /nfs/dbraw/zinc/41/15/95/491411595.db2.gz DOTTZOZKOKEEAG-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000566166859 491421990 /nfs/dbraw/zinc/42/19/90/491421990.db2.gz GILVAUNUXMSJTL-QGZVFWFLSA-N 2 0 359.474 0.241 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000566175445 491423026 /nfs/dbraw/zinc/42/30/26/491423026.db2.gz UTBRTVRUMSMCKN-KRWDZBQOSA-N 2 0 359.474 0.421 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](C)CC1 ZINC000566181300 491423842 /nfs/dbraw/zinc/42/38/42/491423842.db2.gz RMGCAFJLWWBTSS-NVXWUHKLSA-N 2 0 363.510 0.032 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000558359726 491427371 /nfs/dbraw/zinc/42/73/71/491427371.db2.gz ITEPIPMGFLXVPD-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412996 491429484 /nfs/dbraw/zinc/42/94/84/491429484.db2.gz XCVPNTFKUGYEHE-CVEARBPZSA-N 2 0 350.507 0.847 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000558458579 491431492 /nfs/dbraw/zinc/43/14/92/491431492.db2.gz SDFKAJMMKRZXRK-SFHVURJKSA-N 2 0 368.566 0.858 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348244 491438322 /nfs/dbraw/zinc/43/83/22/491438322.db2.gz QZPBJIYWTLKQFN-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)Nc1nc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000558609017 491438542 /nfs/dbraw/zinc/43/85/42/491438542.db2.gz DVJXVFZJZIUBLC-ZBFHGGJFSA-N 2 0 373.505 0.465 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000573596363 491443126 /nfs/dbraw/zinc/44/31/26/491443126.db2.gz KLQHVLUAZLCVLQ-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000573704835 491449738 /nfs/dbraw/zinc/44/97/38/491449738.db2.gz WGNUMYNAVOXROC-KRWDZBQOSA-N 2 0 368.522 0.308 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512662 491450601 /nfs/dbraw/zinc/45/06/01/491450601.db2.gz NHIUZAAZISOZLG-ZWKOTPCHSA-N 2 0 371.485 0.736 20 0 FCADRP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000566732522 491463490 /nfs/dbraw/zinc/46/34/90/491463490.db2.gz ATBXAVQLZLQCJG-DLBZAZTESA-N 2 0 365.474 0.438 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000566739717 491464230 /nfs/dbraw/zinc/46/42/30/491464230.db2.gz IJSZTSWTFIAVRI-OWCLPIDISA-N 2 0 351.495 0.319 20 0 FCADRP CC[C@@H]1CN(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000566787011 491466725 /nfs/dbraw/zinc/46/67/25/491466725.db2.gz QILNPKTXZMJAAY-DAWZGUTISA-N 2 0 367.538 0.613 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412745 491471288 /nfs/dbraw/zinc/47/12/88/491471288.db2.gz UOSOYOSZMYQXMP-QZTJIDSGSA-N 2 0 360.502 0.828 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000559441190 491473563 /nfs/dbraw/zinc/47/35/63/491473563.db2.gz QMVDXXRCBLSWBF-KRWDZBQOSA-N 2 0 370.538 0.506 20 0 FCADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000574177289 491479079 /nfs/dbraw/zinc/47/90/79/491479079.db2.gz MMGYOPCLNUPJTM-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000566987476 491479568 /nfs/dbraw/zinc/47/95/68/491479568.db2.gz YBBZJRSDKAQEHY-GVDBMIGSSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569551 491482064 /nfs/dbraw/zinc/48/20/64/491482064.db2.gz ZDQDBWDDWAUWPP-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559588532 491483014 /nfs/dbraw/zinc/48/30/14/491483014.db2.gz OMRLXMBZEZDVMV-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCN(C(=O)c1ccnc(C[NH3+])c1)[C@H]1CCS(=O)(=O)C1 ZINC000574326951 491489413 /nfs/dbraw/zinc/48/94/13/491489413.db2.gz NAXCLJACZCATAQ-INIZCTEOSA-N 2 0 368.503 0.511 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559761062 491496919 /nfs/dbraw/zinc/49/69/19/491496919.db2.gz ZOKORNGULDFLBV-CALCHBBNSA-N 2 0 368.522 0.450 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000559761064 491497155 /nfs/dbraw/zinc/49/71/55/491497155.db2.gz ZOKORNGULDFLBV-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000559763627 491497495 /nfs/dbraw/zinc/49/74/95/491497495.db2.gz QUOKPPUAGSKDIS-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@@H]2C1 ZINC000567303122 491498411 /nfs/dbraw/zinc/49/84/11/491498411.db2.gz IOHCFKHEPBADDI-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463591 491498975 /nfs/dbraw/zinc/49/89/75/491498975.db2.gz ZHSXNNQNKDHFIF-SJORKVTESA-N 2 0 352.523 0.949 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000574484685 491500217 /nfs/dbraw/zinc/50/02/17/491500217.db2.gz REQABNWJYZULTO-KLZNWCGWSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000567383724 491503141 /nfs/dbraw/zinc/50/31/41/491503141.db2.gz WOOVMWBZRSEATC-LSDHHAIUSA-N 2 0 352.479 0.004 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000559867248 491506288 /nfs/dbraw/zinc/50/62/88/491506288.db2.gz FVVDNOBOPOOYNH-QAPCUYQASA-N 2 0 368.547 0.673 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868914 491506690 /nfs/dbraw/zinc/50/66/90/491506690.db2.gz YDYDMRDURGHKFN-CPUCHLNUSA-N 2 0 356.536 0.339 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000559923079 491510148 /nfs/dbraw/zinc/51/01/48/491510148.db2.gz PFWMQOWOWZHCCK-QGZVFWFLSA-N 2 0 368.522 0.261 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000559928909 491510862 /nfs/dbraw/zinc/51/08/62/491510862.db2.gz UDNROYPOGOWJMX-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000567639067 491520012 /nfs/dbraw/zinc/52/00/12/491520012.db2.gz PXTXBMDSPYQPBR-IBGZPJMESA-N 2 0 360.502 0.644 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574808877 491521440 /nfs/dbraw/zinc/52/14/40/491521440.db2.gz ICBIZVMLDKRAHW-RBUKOAKNSA-N 2 0 357.502 0.800 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575028336 491534418 /nfs/dbraw/zinc/53/44/18/491534418.db2.gz KHSIVFZCFSODPH-CABCVRRESA-N 2 0 352.866 0.879 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000575108637 491539530 /nfs/dbraw/zinc/53/95/30/491539530.db2.gz WMLMEFVZGAXTGI-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000568017454 491547521 /nfs/dbraw/zinc/54/75/21/491547521.db2.gz PDBDTVCYQOVALY-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000568229484 491561083 /nfs/dbraw/zinc/56/10/83/491561083.db2.gz GKJNYJPGZUXKIM-LJQANCHMSA-N 2 0 359.518 0.978 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000575812825 491562721 /nfs/dbraw/zinc/56/27/21/491562721.db2.gz SLLJVTWDXHXFEJ-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000568292320 491567538 /nfs/dbraw/zinc/56/75/38/491567538.db2.gz KFGHTBUBVBGASX-AWEZNQCLSA-N 2 0 352.504 0.884 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000575987998 491574477 /nfs/dbraw/zinc/57/44/77/491574477.db2.gz XEAOLQYSNFZVKL-ZIGSKRJUSA-N 2 0 350.507 0.775 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000576010710 491575674 /nfs/dbraw/zinc/57/56/74/491575674.db2.gz IFDQXNVWYHSXNP-OAHLLOKOSA-N 2 0 364.490 0.101 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000668420653 493351466 /nfs/dbraw/zinc/35/14/66/493351466.db2.gz IPEMRFHDAXIODY-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000576044288 491577920 /nfs/dbraw/zinc/57/79/20/491577920.db2.gz NZYGNCUDYKSAJE-SQNIBIBYSA-N 2 0 372.517 0.835 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1scnc1C1CC1 ZINC000584389406 491585135 /nfs/dbraw/zinc/58/51/35/491585135.db2.gz PEENVFBQXDUOOR-UHFFFAOYSA-N 2 0 353.492 0.911 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000561225441 491585827 /nfs/dbraw/zinc/58/58/27/491585827.db2.gz MIYJJKSHPVIZMX-UHFFFAOYSA-N 3 0 354.539 0.877 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000576146376 491586488 /nfs/dbraw/zinc/58/64/88/491586488.db2.gz VKXSBOYNIWJNHY-CPUCHLNUSA-N 2 0 350.507 0.774 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000561267266 491591677 /nfs/dbraw/zinc/59/16/77/491591677.db2.gz HROMJVNPMOFVPN-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000584459982 491593770 /nfs/dbraw/zinc/59/37/70/491593770.db2.gz ISXKQPMLGHFGQR-RDJZCZTQSA-N 2 0 362.474 0.118 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1ccccc1F ZINC000568629064 491594078 /nfs/dbraw/zinc/59/40/78/491594078.db2.gz WXTOFSMTCISXJD-GOEBONIOSA-N 2 0 358.421 0.909 20 0 FCADRP CCOC(=O)CC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000577172175 491597822 /nfs/dbraw/zinc/59/78/22/491597822.db2.gz KVFOBNCPHNKGCU-MRXNPFEDSA-N 2 0 357.495 0.077 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540967 491602421 /nfs/dbraw/zinc/60/24/21/491602421.db2.gz RHKSVBJRSKQGDG-RYQLBKOJSA-N 2 0 374.460 0.808 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000561424949 491606737 /nfs/dbraw/zinc/60/67/37/491606737.db2.gz GDTDOHOZBXGYKU-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000568766661 491607988 /nfs/dbraw/zinc/60/79/88/491607988.db2.gz DPJVDDYGEQGLOA-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000561450455 491609227 /nfs/dbraw/zinc/60/92/27/491609227.db2.gz LOXUGEYVRUIMNM-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000576663925 491634208 /nfs/dbraw/zinc/63/42/08/491634208.db2.gz NYJJQICALXPLQD-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000576695588 491636454 /nfs/dbraw/zinc/63/64/54/491636454.db2.gz OJFFSAGZAILQLI-XLMAVXFVSA-N 2 0 360.502 0.815 20 0 FCADRP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000576695586 491636778 /nfs/dbraw/zinc/63/67/78/491636778.db2.gz OJFFSAGZAILQLI-DFGXFYAUSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000561997896 491645403 /nfs/dbraw/zinc/64/54/03/491645403.db2.gz XROVUMXUPSVTTI-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001718 491645607 /nfs/dbraw/zinc/64/56/07/491645607.db2.gz OOSDDZPSSASEEV-CABCVRRESA-N 2 0 350.463 0.769 20 0 FCADRP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CN(C)CCN2C)cc1 ZINC000577742233 491647969 /nfs/dbraw/zinc/64/79/69/491647969.db2.gz FWPWLOARTBTHGL-MOPGFXCFSA-N 2 0 363.502 0.783 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849742 491650532 /nfs/dbraw/zinc/65/05/32/491650532.db2.gz DJPBWHOLFRYOLJ-MLHJIOFPSA-N 2 0 374.460 0.822 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668464457 493358524 /nfs/dbraw/zinc/35/85/24/493358524.db2.gz DETATQVGEUWDFQ-MRXNPFEDSA-N 2 0 367.538 0.118 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000577842195 491656215 /nfs/dbraw/zinc/65/62/15/491656215.db2.gz MOEUAMCHKMZUBA-OAHLLOKOSA-N 2 0 374.485 0.259 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000576934966 491657903 /nfs/dbraw/zinc/65/79/03/491657903.db2.gz XJMRVTZQUFSYRL-XHSDSOJGSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000577870880 491659195 /nfs/dbraw/zinc/65/91/95/491659195.db2.gz VLDHMPNIDGJKKE-JKSUJKDBSA-N 2 0 368.522 0.627 20 0 FCADRP C[NH2+][C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000578071394 491669222 /nfs/dbraw/zinc/66/92/22/491669222.db2.gz WVAKLYSHNXQOCU-BMGDILEWSA-N 2 0 373.505 0.956 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000578095637 491669919 /nfs/dbraw/zinc/66/99/19/491669919.db2.gz YAMIZPNQHXKQHX-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCN(c3cnccn3)CC1)CC[NH2+]CC2 ZINC000578231601 491672673 /nfs/dbraw/zinc/67/26/73/491672673.db2.gz PVULZSOQNMREQL-MRXNPFEDSA-N 2 0 358.490 0.589 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000578340922 491675160 /nfs/dbraw/zinc/67/51/60/491675160.db2.gz NIKPDHVJDLUBDW-HOCLYGCPSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000578441898 491677305 /nfs/dbraw/zinc/67/73/05/491677305.db2.gz HNFBUYHIARXORS-DRMAHVMPSA-N 2 0 363.506 0.641 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000578865706 491686000 /nfs/dbraw/zinc/68/60/00/491686000.db2.gz FRRJBUMJALXFHJ-CRAIPNDOSA-N 2 0 351.495 0.263 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000578886302 491686475 /nfs/dbraw/zinc/68/64/75/491686475.db2.gz TUXZHKMNJYXVAB-KRWDZBQOSA-N 2 0 362.449 0.775 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000579091385 491690664 /nfs/dbraw/zinc/69/06/64/491690664.db2.gz SPJBEEQHVFFSMG-MOPGFXCFSA-N 2 0 374.533 0.981 20 0 FCADRP Cc1cc(N2CCC(NC(=O)c3cn(CCC[NH3+])nn3)CC2)nc(C)n1 ZINC000579116670 491691377 /nfs/dbraw/zinc/69/13/77/491691377.db2.gz BIISBJLRLXBJAG-UHFFFAOYSA-N 2 0 358.450 0.433 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000579187925 491692646 /nfs/dbraw/zinc/69/26/46/491692646.db2.gz WIKMNXLBHPLBLC-INIZCTEOSA-N 2 0 353.511 0.620 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)Cc2ccccc2C1 ZINC000579377862 491696965 /nfs/dbraw/zinc/69/69/65/491696965.db2.gz BQPZPRJFGMGPKD-DLBZAZTESA-N 2 0 371.485 0.039 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CCC(O)(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000579591138 491701205 /nfs/dbraw/zinc/70/12/05/491701205.db2.gz VCPIGHFVUUWCPX-CQSZACIVSA-N 2 0 356.264 0.935 20 0 FCADRP Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[NH+](C)C)cc1 ZINC000579616261 491701789 /nfs/dbraw/zinc/70/17/89/491701789.db2.gz KPXOEBSSKPNSAO-ULQDDVLXSA-N 2 0 359.474 0.551 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579822497 491706063 /nfs/dbraw/zinc/70/60/63/491706063.db2.gz WHEFFQVPKIIPLP-SQNIBIBYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000584781365 491714244 /nfs/dbraw/zinc/71/42/44/491714244.db2.gz LYJCTPZDLRFISZ-JZXOWHBKSA-N 2 0 360.502 0.909 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580073708 491716310 /nfs/dbraw/zinc/71/63/10/491716310.db2.gz PSWQPNYEYYPDKC-CABCVRRESA-N 2 0 355.508 0.434 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000580125766 491718700 /nfs/dbraw/zinc/71/87/00/491718700.db2.gz ZUYDABXLIXAAFL-HFTRVMKXSA-N 2 0 362.518 0.776 20 0 FCADRP CN(CCc1cccs1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580165585 491719764 /nfs/dbraw/zinc/71/97/64/491719764.db2.gz KQQHBKDZZQNBND-UHFFFAOYSA-N 2 0 354.520 0.701 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000580169883 491719780 /nfs/dbraw/zinc/71/97/80/491719780.db2.gz POZVSEHGLDFZBL-UHFFFAOYSA-N 2 0 350.488 0.981 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1=O ZINC000580316065 491725683 /nfs/dbraw/zinc/72/56/83/491725683.db2.gz ULTBTIJVGAOUCR-WCXIOVBPSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000580342615 491727396 /nfs/dbraw/zinc/72/73/96/491727396.db2.gz FEBPLJUHMOCGAU-CVEARBPZSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580421829 491730349 /nfs/dbraw/zinc/73/03/49/491730349.db2.gz QOKNLAPOQHDWAB-HZPDHXFCSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000580861049 491749266 /nfs/dbraw/zinc/74/92/66/491749266.db2.gz RBVNYHJCEGZLEF-OAGGEKHMSA-N 2 0 350.507 0.990 20 0 FCADRP [NH3+]CCN(CCO)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000581012586 491755445 /nfs/dbraw/zinc/75/54/45/491755445.db2.gz ZNBHPOQWSTYYFV-KRWDZBQOSA-N 2 0 368.909 0.846 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000581067253 491757929 /nfs/dbraw/zinc/75/79/29/491757929.db2.gz FRJHXKTUZWJSPV-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2)CC1 ZINC000581069058 491757945 /nfs/dbraw/zinc/75/79/45/491757945.db2.gz LNBWLCDXHWJAKV-UHFFFAOYSA-N 2 0 357.462 0.627 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000581178850 491762497 /nfs/dbraw/zinc/76/24/97/491762497.db2.gz BLLADSQBCBCZHT-UHFFFAOYSA-N 2 0 365.865 0.508 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000581203031 491763652 /nfs/dbraw/zinc/76/36/52/491763652.db2.gz ITXPRPMCZCBTPU-HOCLYGCPSA-N 2 0 363.437 0.341 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000581500210 491775555 /nfs/dbraw/zinc/77/55/55/491775555.db2.gz JXYFXTILUQPFAQ-UHFFFAOYSA-N 2 0 371.526 0.245 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581551119 491777541 /nfs/dbraw/zinc/77/75/41/491777541.db2.gz BJCFGEYZTPALMQ-ICSRJNTNSA-N 2 0 371.529 0.703 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000581613736 491779954 /nfs/dbraw/zinc/77/99/54/491779954.db2.gz UYLCJCLJGYUNPZ-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000581747631 491785430 /nfs/dbraw/zinc/78/54/30/491785430.db2.gz SGSIWOJQWDHGTM-ARFHVFGLSA-N 2 0 366.506 0.345 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000581940539 491791189 /nfs/dbraw/zinc/79/11/89/491791189.db2.gz OYYOJLRAAQWXHH-QZTJIDSGSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000581942763 491791433 /nfs/dbraw/zinc/79/14/33/491791433.db2.gz SIRWDAGFSFKXQG-MWQQHZPXSA-N 2 0 363.506 0.641 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000582003744 491794052 /nfs/dbraw/zinc/79/40/52/491794052.db2.gz XLAFJBGKJLAKIN-CABCVRRESA-N 2 0 356.511 0.578 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000591413908 491804922 /nfs/dbraw/zinc/80/49/22/491804922.db2.gz ZIOWILHYSGQHJB-BZUAXINKSA-N 2 0 351.495 0.500 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000591413911 491805157 /nfs/dbraw/zinc/80/51/57/491805157.db2.gz ZIOWILHYSGQHJB-PMPSAXMXSA-N 2 0 351.495 0.500 20 0 FCADRP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582290632 491805903 /nfs/dbraw/zinc/80/59/03/491805903.db2.gz LWGDKROIYIMAQM-LSDHHAIUSA-N 2 0 351.495 0.370 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000582727937 491824307 /nfs/dbraw/zinc/82/43/07/491824307.db2.gz SNQFTTOFJNLWMF-ZBFHGGJFSA-N 2 0 360.414 0.915 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000582778273 491826304 /nfs/dbraw/zinc/82/63/04/491826304.db2.gz OJHSQPHXLXNZSP-IRXDYDNUSA-N 2 0 368.522 0.329 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC000582780579 491826754 /nfs/dbraw/zinc/82/67/54/491826754.db2.gz XCIFSHKXVWAWOI-UHFFFAOYSA-N 2 0 358.446 1.248 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668501088 493365710 /nfs/dbraw/zinc/36/57/10/493365710.db2.gz IZSDVYMFAVEDDY-RDJZCZTQSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CC(C)C ZINC000582976829 491835043 /nfs/dbraw/zinc/83/50/43/491835043.db2.gz UXYKILHHHPDOAE-HRCADAONSA-N 2 0 353.511 0.696 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000583371833 491843433 /nfs/dbraw/zinc/84/34/33/491843433.db2.gz YLZULZPAQBCPSX-HNNXBMFYSA-N 2 0 350.438 0.571 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1Cn1ccnc1 ZINC000583371485 491843545 /nfs/dbraw/zinc/84/35/45/491843545.db2.gz PXHDDQLWZRGCHC-KGLIPLIRSA-N 2 0 374.411 0.893 20 0 FCADRP CC(C)c1csc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000583463404 491845555 /nfs/dbraw/zinc/84/55/55/491845555.db2.gz ZXNPQJPVPQFGKY-UHFFFAOYSA-N 2 0 369.535 0.835 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000583527668 491846920 /nfs/dbraw/zinc/84/69/20/491846920.db2.gz MSIIIFQNGJQTHG-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000583563318 491847518 /nfs/dbraw/zinc/84/75/18/491847518.db2.gz OYWBNQHNJCKXPW-QZTJIDSGSA-N 2 0 373.501 0.935 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000583563320 491847523 /nfs/dbraw/zinc/84/75/23/491847523.db2.gz OYWBNQHNJCKXPW-ZWKOTPCHSA-N 2 0 373.501 0.935 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000583771515 491851789 /nfs/dbraw/zinc/85/17/89/491851789.db2.gz KUVZSTLYULEWDO-GVDBMIGSSA-N 2 0 356.511 0.440 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583823937 491852878 /nfs/dbraw/zinc/85/28/78/491852878.db2.gz NLKZCOHPTBXACK-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583861794 491853366 /nfs/dbraw/zinc/85/33/66/491853366.db2.gz VUWKVJUHGJXXSO-YDRHNJASSA-N 2 0 362.518 0.951 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000583881054 491854038 /nfs/dbraw/zinc/85/40/38/491854038.db2.gz QREQHFXKHUQFEM-ROUUACIJSA-N 2 0 371.485 0.810 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000584053903 491857461 /nfs/dbraw/zinc/85/74/61/491857461.db2.gz MXFXGSYIYJJOIZ-ZIAGYGMSSA-N 2 0 366.487 0.594 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000611642293 491864639 /nfs/dbraw/zinc/86/46/39/491864639.db2.gz WQKJRAIHPMAPOJ-JYJNAYRXSA-N 2 0 350.507 0.964 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000611954462 491884914 /nfs/dbraw/zinc/88/49/14/491884914.db2.gz BSBKEDZJOGUVAO-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000600999678 491892404 /nfs/dbraw/zinc/89/24/04/491892404.db2.gz CTYHQECELFMQCS-QGZVFWFLSA-N 2 0 360.506 0.979 20 0 FCADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000595263272 491908735 /nfs/dbraw/zinc/90/87/35/491908735.db2.gz RMAGFJDYDWHJJV-LJISPDSOSA-N 2 0 363.462 0.662 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595266489 491909059 /nfs/dbraw/zinc/90/90/59/491909059.db2.gz WYSUCGSMPHZBKX-QXSJWSMHSA-N 2 0 351.495 0.308 20 0 FCADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000595333355 491920596 /nfs/dbraw/zinc/92/05/96/491920596.db2.gz SJFZNOYGPQSMTE-QGZVFWFLSA-N 2 0 367.490 0.727 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612485778 491924911 /nfs/dbraw/zinc/92/49/11/491924911.db2.gz JESZRHNLQIKZLT-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612592181 491936043 /nfs/dbraw/zinc/93/60/43/491936043.db2.gz NSYYJDCVLJRVQF-HZPDHXFCSA-N 2 0 366.506 0.345 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599631 491937971 /nfs/dbraw/zinc/93/79/71/491937971.db2.gz ZQSMTANEXCCTSS-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000612781246 491950730 /nfs/dbraw/zinc/95/07/30/491950730.db2.gz UDKXUVXDWXEDSF-SFHVURJKSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(NC1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911836 491958135 /nfs/dbraw/zinc/95/81/35/491958135.db2.gz QGZQRBVMHLJHOA-CQSZACIVSA-N 2 0 361.494 0.460 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[NH+](C)C ZINC000612908814 491958197 /nfs/dbraw/zinc/95/81/97/491958197.db2.gz PLCJUQYEFYTNJJ-GJZGRUSLSA-N 2 0 363.510 0.658 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916027 491958440 /nfs/dbraw/zinc/95/84/40/491958440.db2.gz UXJDOBCNPZDJEW-CABCVRRESA-N 2 0 361.494 0.460 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000595893126 491960011 /nfs/dbraw/zinc/96/00/11/491960011.db2.gz POKMZVYRMYTFPA-ZOBUZTSGSA-N 2 0 353.463 0.369 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974022 491960685 /nfs/dbraw/zinc/96/06/85/491960685.db2.gz NNLBASVWTANSOS-LSDHHAIUSA-N 2 0 351.495 0.370 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000602147920 491963572 /nfs/dbraw/zinc/96/35/72/491963572.db2.gz FKEBSTXCCLSNNY-UHFFFAOYSA-N 2 0 356.511 0.213 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506787 491990317 /nfs/dbraw/zinc/99/03/17/491990317.db2.gz PKKWJWROHMUDCQ-PKOBYXMFSA-N 2 0 360.502 0.803 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CN1CC[NH2+]CC1 ZINC000602504560 491990500 /nfs/dbraw/zinc/99/05/00/491990500.db2.gz GVPHNXZFOZPGQP-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CCOC(=O)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000613729354 491993574 /nfs/dbraw/zinc/99/35/74/491993574.db2.gz BCMNKSXBIMDOFO-CQSZACIVSA-N 2 0 352.479 0.797 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985717 492008743 /nfs/dbraw/zinc/00/87/43/492008743.db2.gz JVICWLKLGUSWQY-KPLDXPABSA-N 2 0 350.507 0.820 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000597444762 492038656 /nfs/dbraw/zinc/03/86/56/492038656.db2.gz ZEXYRQRUXLEKSP-UHFFFAOYSA-N 2 0 365.522 0.666 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652238 492066621 /nfs/dbraw/zinc/06/66/21/492066621.db2.gz VAHDUIHZVASFSD-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668226 492068102 /nfs/dbraw/zinc/06/81/02/492068102.db2.gz VQSKZSQOGRXPLZ-ROUUACIJSA-N 2 0 365.522 0.176 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(C[C@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000604774481 492071651 /nfs/dbraw/zinc/07/16/51/492071651.db2.gz YASKXFJIWCQUBC-IYWMVGAKSA-N 2 0 368.566 0.558 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000615089652 492072456 /nfs/dbraw/zinc/07/24/56/492072456.db2.gz LYDHMPRQVYOMFC-QGZVFWFLSA-N 2 0 352.523 0.726 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000606539522 492124430 /nfs/dbraw/zinc/12/44/30/492124430.db2.gz IJFKZRSZTGGJCF-UHFFFAOYSA-N 2 0 362.540 0.096 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000606653365 492125774 /nfs/dbraw/zinc/12/57/74/492125774.db2.gz RBBXZGUPIXBGFQ-YVSFHVDLSA-N 2 0 367.538 0.992 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000607057211 492137618 /nfs/dbraw/zinc/13/76/18/492137618.db2.gz MNMRUCBNBZNSGI-IAGOWNOFSA-N 2 0 367.538 0.995 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000617976380 492208087 /nfs/dbraw/zinc/20/80/87/492208087.db2.gz XKGPVDZCXIVKBM-LJQANCHMSA-N 2 0 357.502 0.800 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470116 492309377 /nfs/dbraw/zinc/30/93/77/492309377.db2.gz LQOJNESYPIYSMA-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])cc1F ZINC000641822892 492310488 /nfs/dbraw/zinc/31/04/88/492310488.db2.gz XSDDCFAGGQHRJF-UHFFFAOYSA-N 2 0 354.426 0.948 20 0 FCADRP O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485722 492313725 /nfs/dbraw/zinc/31/37/25/492313725.db2.gz WSKHXFMSLKWQME-FPOVZHCZSA-N 2 0 373.497 0.681 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)cn1 ZINC000634194501 492325109 /nfs/dbraw/zinc/32/51/09/492325109.db2.gz NLGLGQNLLWNONK-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP CC[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000634226724 492327845 /nfs/dbraw/zinc/32/78/45/492327845.db2.gz CQVROADSMZURJA-GOSISDBHSA-N 2 0 373.501 0.724 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000634271674 492332576 /nfs/dbraw/zinc/33/25/76/492332576.db2.gz VMSSZEHHGGUENT-JYJNAYRXSA-N 2 0 351.495 0.418 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000620772970 492334309 /nfs/dbraw/zinc/33/43/09/492334309.db2.gz PZTUVIJFPBZTKH-ROUUACIJSA-N 2 0 358.486 0.787 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)[NH+](C)C)c1 ZINC000642096124 492334367 /nfs/dbraw/zinc/33/43/67/492334367.db2.gz CCRDDNSMBXYPHF-MRXNPFEDSA-N 2 0 362.474 0.754 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253881 492345889 /nfs/dbraw/zinc/34/58/89/492345889.db2.gz OMKFOMYOLSMNPX-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642302683 492349694 /nfs/dbraw/zinc/34/96/94/492349694.db2.gz SPHYWFGFTWWHAW-NVXWUHKLSA-N 2 0 362.474 0.199 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642373602 492356483 /nfs/dbraw/zinc/35/64/83/492356483.db2.gz RVIOQBIDOUMWKE-USXIJHARSA-N 2 0 362.474 0.103 20 0 FCADRP CN1C(=O)N[C@]2(CCN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357447 /nfs/dbraw/zinc/35/74/47/492357447.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 0 358.442 0.250 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000642489022 492359447 /nfs/dbraw/zinc/35/94/47/492359447.db2.gz VWNZMZXPYCCSJM-GXFFZTMASA-N 2 0 360.380 0.888 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CC(C)C ZINC000642531613 492362187 /nfs/dbraw/zinc/36/21/87/492362187.db2.gz CXTWGOCWMMOIIN-HRCADAONSA-N 2 0 356.511 0.434 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000642550370 492363362 /nfs/dbraw/zinc/36/33/62/492363362.db2.gz FNWHTOIJUIWRRB-SZMVWBNQSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CC(C)C1 ZINC000654881119 492367885 /nfs/dbraw/zinc/36/78/85/492367885.db2.gz ZHJDMRTUGXMRDF-CALCHBBNSA-N 2 0 352.523 0.974 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000642640206 492368157 /nfs/dbraw/zinc/36/81/57/492368157.db2.gz PGNSZNXUPBAPSY-DOTOQJQBSA-N 2 0 368.522 0.435 20 0 FCADRP C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCN1CC[NH2+]CC1 ZINC000647835374 492368837 /nfs/dbraw/zinc/36/88/37/492368837.db2.gz VWEVRALDTXYMTA-UHFFFAOYSA-N 2 0 373.501 0.979 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000642686180 492373605 /nfs/dbraw/zinc/37/36/05/492373605.db2.gz MQDDAKGRMHFNMT-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699640 492375333 /nfs/dbraw/zinc/37/53/33/492375333.db2.gz DMQXSWORQAGIPB-MAUKXSAKSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000642708024 492376598 /nfs/dbraw/zinc/37/65/98/492376598.db2.gz LGPGIPTVLLUURS-MAUKXSAKSA-N 2 0 374.485 0.473 20 0 FCADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654908330 492377676 /nfs/dbraw/zinc/37/76/76/492377676.db2.gz ZVXUTHPVKAOJHR-JZXOWHBKSA-N 2 0 372.469 0.451 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000642750518 492385259 /nfs/dbraw/zinc/38/52/59/492385259.db2.gz PEWYDFNPHSIRKA-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937830 492385650 /nfs/dbraw/zinc/38/56/50/492385650.db2.gz CSUOZRICIRSFHW-DOMZBBRYSA-N 2 0 354.476 0.722 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642759551 492386906 /nfs/dbraw/zinc/38/69/06/492386906.db2.gz OLTITRPAYABPDB-OQIJWPOYSA-N 2 0 370.497 0.834 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000642785805 492391548 /nfs/dbraw/zinc/39/15/48/492391548.db2.gz LZLCTXSKOAVNPG-KSZLIROESA-N 2 0 362.518 0.968 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000642785679 492392079 /nfs/dbraw/zinc/39/20/79/492392079.db2.gz CTROOHISGBYRTL-OKZBNKHCSA-N 2 0 374.460 0.679 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000642789458 492392431 /nfs/dbraw/zinc/39/24/31/492392431.db2.gz KNGMVAABTBHYBM-UHFFFAOYSA-N 2 0 350.507 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H](C)[NH2+]1 ZINC000642793259 492393652 /nfs/dbraw/zinc/39/36/52/492393652.db2.gz BBZZGMCVJRRBPQ-GASCZTMLSA-N 2 0 368.547 0.673 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000642801800 492395800 /nfs/dbraw/zinc/39/58/00/492395800.db2.gz FNMAXHZHPSHMHO-CRAIPNDOSA-N 2 0 374.485 0.342 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)CC1 ZINC000642893882 492397607 /nfs/dbraw/zinc/39/76/07/492397607.db2.gz BGSGMDFMRHMVGA-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000642903040 492400061 /nfs/dbraw/zinc/40/00/61/492400061.db2.gz ACSUDBNGYSLRQN-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642940943 492405580 /nfs/dbraw/zinc/40/55/80/492405580.db2.gz NBAVKLZZMUAVIG-RDJZCZTQSA-N 2 0 367.538 0.103 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981892 492410092 /nfs/dbraw/zinc/41/00/92/492410092.db2.gz KRTVGQCBIIJPJT-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981893 492410661 /nfs/dbraw/zinc/41/06/61/492410661.db2.gz KRTVGQCBIIJPJT-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000648179140 492412873 /nfs/dbraw/zinc/41/28/73/492412873.db2.gz GERDGAOMQKQYNC-MRXNPFEDSA-N 2 0 361.490 0.819 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839152 492422292 /nfs/dbraw/zinc/42/22/92/492422292.db2.gz OMYRUIIECNBOPH-HNAYVOBHSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621838779 492422349 /nfs/dbraw/zinc/42/23/49/492422349.db2.gz JDJOICSSXUHRJX-VCBZYWHSSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000621840271 492423039 /nfs/dbraw/zinc/42/30/39/492423039.db2.gz GEELJVGJDQVWLG-UZLBHIALSA-N 2 0 371.485 0.502 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC1CC(N2CCOCC2)C1 ZINC000627941210 492424684 /nfs/dbraw/zinc/42/46/84/492424684.db2.gz XFUDVTGSAOXKKF-UHFFFAOYSA-N 2 0 358.446 0.816 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000621845158 492425497 /nfs/dbraw/zinc/42/54/97/492425497.db2.gz CPXWIWJSOBTNDD-DNVCBOLYSA-N 2 0 364.490 0.087 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655414471 492442130 /nfs/dbraw/zinc/44/21/30/492442130.db2.gz QTQRZECOCXLTEU-GDBMZVCRSA-N 2 0 352.460 0.252 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026534 492442874 /nfs/dbraw/zinc/44/28/74/492442874.db2.gz MDKQKNLZXNNEKI-APWZRJJASA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655446318 492443206 /nfs/dbraw/zinc/44/32/06/492443206.db2.gz NTKIWSBJRHJPQV-XLIONFOSSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655446317 492443387 /nfs/dbraw/zinc/44/33/87/492443387.db2.gz NTKIWSBJRHJPQV-PXNSSMCTSA-N 2 0 358.486 0.984 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635472954 492454580 /nfs/dbraw/zinc/45/45/80/492454580.db2.gz ISPMQKANJIWKRA-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000635496015 492457872 /nfs/dbraw/zinc/45/78/72/492457872.db2.gz BGTYLVZPSDLFJI-UHFFFAOYSA-N 2 0 366.506 0.111 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCO2)CC1 ZINC000635512317 492462805 /nfs/dbraw/zinc/46/28/05/492462805.db2.gz KAAZJRBNJGMOIH-QGZVFWFLSA-N 2 0 350.507 0.337 20 0 FCADRP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483364 492477839 /nfs/dbraw/zinc/47/78/39/492477839.db2.gz XYSQRMLDZQCJNW-ROUUACIJSA-N 2 0 362.518 0.779 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000643484607 492477868 /nfs/dbraw/zinc/47/78/68/492477868.db2.gz GVSFPBNAELXJSA-GOSISDBHSA-N 2 0 374.485 0.215 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483363 492478465 /nfs/dbraw/zinc/47/84/65/492478465.db2.gz XYSQRMLDZQCJNW-QZTJIDSGSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000643494597 492481576 /nfs/dbraw/zinc/48/15/76/492481576.db2.gz HRHZSGRGVSAYTH-XHSDSOJGSA-N 2 0 352.479 0.038 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(C)([NH3+])CC2)o1 ZINC000643494309 492481912 /nfs/dbraw/zinc/48/19/12/492481912.db2.gz PQMARXIPOXGLFB-UHFFFAOYSA-N 2 0 350.463 0.818 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000643504145 492483941 /nfs/dbraw/zinc/48/39/41/492483941.db2.gz FTXNCJLXODNBOC-KURKYZTESA-N 2 0 362.518 0.921 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509737 492484739 /nfs/dbraw/zinc/48/47/39/492484739.db2.gz PHOPQVYHKJHSHO-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643525038 492489723 /nfs/dbraw/zinc/48/97/23/492489723.db2.gz NGQZUFGSCQMPKE-KURKYZTESA-N 2 0 362.518 0.779 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[NH2+]1 ZINC000643524379 492490362 /nfs/dbraw/zinc/49/03/62/492490362.db2.gz OSKDJSCPAIUKCA-MRXNPFEDSA-N 2 0 350.463 0.626 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643525117 492490695 /nfs/dbraw/zinc/49/06/95/492490695.db2.gz WWMNKSIOBXNMIZ-WMZOPIPTSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531800 492491443 /nfs/dbraw/zinc/49/14/43/492491443.db2.gz LRCARXOKQHFKJE-SZMVWBNQSA-N 2 0 374.485 0.294 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643532042 492491982 /nfs/dbraw/zinc/49/19/82/492491982.db2.gz AQHGJAXVYXMUFO-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@@H]21 ZINC000643549680 492496772 /nfs/dbraw/zinc/49/67/72/492496772.db2.gz BALZTOZFWYSCRN-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000643580973 492499464 /nfs/dbraw/zinc/49/94/64/492499464.db2.gz ILTIVRCEDGDTND-QGZVFWFLSA-N 2 0 350.507 0.923 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C2)C1 ZINC000643594089 492503866 /nfs/dbraw/zinc/50/38/66/492503866.db2.gz BOWPAYFFYGSSEU-VPWXQRGCSA-N 2 0 374.460 0.633 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C[C@@H]21 ZINC000643594256 492503919 /nfs/dbraw/zinc/50/39/19/492503919.db2.gz WHMRRDUVOAAYEK-UOJCXKCYSA-N 2 0 360.433 0.241 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000643594041 492503983 /nfs/dbraw/zinc/50/39/83/492503983.db2.gz ZZNZMUIKKKPMKK-YRXWBPOGSA-N 2 0 368.481 0.397 20 0 FCADRP C[C@H](C(=O)NCCN(CCC(F)(F)F)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635845804 492514503 /nfs/dbraw/zinc/51/45/03/492514503.db2.gz NQQMBJFQBWBHMI-VXGBXAGGSA-N 2 0 354.417 0.784 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCc1nnnn1C1CC1 ZINC000649275216 492517274 /nfs/dbraw/zinc/51/72/74/492517274.db2.gz WUDMGDBLIUNKIC-INIZCTEOSA-N 2 0 366.429 0.439 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315705 492529641 /nfs/dbraw/zinc/52/96/41/492529641.db2.gz CVERYRYLMXDELH-CVEARBPZSA-N 2 0 360.458 0.558 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000656069364 492530799 /nfs/dbraw/zinc/53/07/99/492530799.db2.gz ZEFVNJQSTUCHMW-UHFFFAOYSA-N 2 0 368.522 0.234 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934291 492530929 /nfs/dbraw/zinc/53/09/29/492530929.db2.gz OOKRIMDQUHXEBK-NVXWUHKLSA-N 2 0 366.506 0.299 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649328249 492535313 /nfs/dbraw/zinc/53/53/13/492535313.db2.gz ILKPESKQBFSOKG-CYBMUJFWSA-N 2 0 350.467 0.432 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347178 492543056 /nfs/dbraw/zinc/54/30/56/492543056.db2.gz JHGGPLNQXHGRBX-UONOGXRCSA-N 2 0 356.430 0.782 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649353582 492547580 /nfs/dbraw/zinc/54/75/80/492547580.db2.gz NQYOHINOLRXHIB-SFHVURJKSA-N 2 0 366.550 0.877 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363566 492548315 /nfs/dbraw/zinc/54/83/15/492548315.db2.gz GEZDOWYMCOXEEI-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP C[N@@H+]1CCCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571909 492568349 /nfs/dbraw/zinc/56/83/49/492568349.db2.gz LMABFHBKMQVEPY-HZPDHXFCSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656294482 492573825 /nfs/dbraw/zinc/57/38/25/492573825.db2.gz AZMGMEIJWUQEGF-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1C ZINC000656311767 492585839 /nfs/dbraw/zinc/58/58/39/492585839.db2.gz HTCCXWKAOUMTCV-HUUCEWRRSA-N 2 0 362.478 0.235 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656320898 492591632 /nfs/dbraw/zinc/59/16/32/492591632.db2.gz XCMYJMUQXZTFAM-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP Nc1nc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nc(N)[nH+]1 ZINC000623911577 492605753 /nfs/dbraw/zinc/60/57/53/492605753.db2.gz GKIZHXQFCHYMGB-CQSZACIVSA-N 2 0 369.477 0.130 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357857 492611463 /nfs/dbraw/zinc/61/14/63/492611463.db2.gz HHYYHMDMDJZIJY-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000623994761 492611870 /nfs/dbraw/zinc/61/18/70/492611870.db2.gz CEXPDMUVIVKDDA-ZWKOTPCHSA-N 2 0 358.486 0.564 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665019 492653763 /nfs/dbraw/zinc/65/37/63/492653763.db2.gz YTMCYZINTRMMBV-PBHICJAKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+](C)CCOCC[NH3+] ZINC000629578819 492655816 /nfs/dbraw/zinc/65/58/16/492655816.db2.gz HEADNZZHMVIWMF-UONOGXRCSA-N 2 0 351.447 0.931 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636674597 492656559 /nfs/dbraw/zinc/65/65/59/492656559.db2.gz OGUGHMFCNMABIH-INIZCTEOSA-N 2 0 350.463 0.493 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCN1CCCC1=O ZINC000650802645 492669292 /nfs/dbraw/zinc/66/92/92/492669292.db2.gz UPQDLMBVWGHGNN-UHFFFAOYSA-N 2 0 374.489 0.515 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1=O ZINC000624787089 492683651 /nfs/dbraw/zinc/68/36/51/492683651.db2.gz OZGOUIFADUPJOS-INIZCTEOSA-N 2 0 351.495 0.419 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC000629813262 492685214 /nfs/dbraw/zinc/68/52/14/492685214.db2.gz IRMZRWMTYQSZNS-LPWJVIDDSA-N 2 0 362.396 0.135 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000629812885 492685272 /nfs/dbraw/zinc/68/52/72/492685272.db2.gz UYZHBQKLMCBCRX-QGZVFWFLSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC000629813265 492685359 /nfs/dbraw/zinc/68/53/59/492685359.db2.gz IRMZRWMTYQSZNS-XQHKEYJVSA-N 2 0 362.396 0.135 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000629816008 492687024 /nfs/dbraw/zinc/68/70/24/492687024.db2.gz STHQUJBRHDMIST-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000629912579 492702775 /nfs/dbraw/zinc/70/27/75/492702775.db2.gz VZUFRUUDBZFJAL-IBGZPJMESA-N 2 0 361.486 0.687 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000629914289 492703013 /nfs/dbraw/zinc/70/30/13/492703013.db2.gz NAMMERIJNUQDLD-IBGZPJMESA-N 2 0 360.502 0.690 20 0 FCADRP O=C(C[C@]1(O)CCC[NH+](Cc2ccccc2)C1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917591 492704749 /nfs/dbraw/zinc/70/47/49/492704749.db2.gz GNSZHLHTJVVWFZ-AZUAARDMSA-N 2 0 361.486 0.586 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644339087 492714110 /nfs/dbraw/zinc/71/41/10/492714110.db2.gz VFBXBTQHMVNUIE-BBWFWOEESA-N 2 0 354.495 0.384 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)cn1 ZINC000644363178 492725378 /nfs/dbraw/zinc/72/53/78/492725378.db2.gz DLGUCSSQHXDACU-XHSDSOJGSA-N 2 0 350.467 0.554 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000636939826 492733180 /nfs/dbraw/zinc/73/31/80/492733180.db2.gz GRYRZYGFQCFATK-ZACQAIPSSA-N 2 0 354.495 0.120 20 0 FCADRP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@H]1c1nccn1C ZINC000625383575 492770466 /nfs/dbraw/zinc/77/04/66/492770466.db2.gz MVYQMIHRRGMIHC-BPUTZDHNSA-N 2 0 363.462 0.167 20 0 FCADRP COc1ccccc1[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000644512841 492780409 /nfs/dbraw/zinc/78/04/09/492780409.db2.gz SGWHLGFOVHNTHO-WMZOPIPTSA-N 2 0 350.507 0.496 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000630882928 492781535 /nfs/dbraw/zinc/78/15/35/492781535.db2.gz UPOAFXYKGHYBBP-ROUUACIJSA-N 2 0 364.534 0.929 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000630882923 492781917 /nfs/dbraw/zinc/78/19/17/492781917.db2.gz UPOAFXYKGHYBBP-HDICACEKSA-N 2 0 364.534 0.929 20 0 FCADRP Cc1ncc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000637229454 492794048 /nfs/dbraw/zinc/79/40/48/492794048.db2.gz QVZBRIKACUIVNV-GFCCVEGCSA-N 2 0 355.508 0.581 20 0 FCADRP CCn1nncc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000637298264 492807257 /nfs/dbraw/zinc/80/72/57/492807257.db2.gz IIZPLXCBTGQXTH-OAHLLOKOSA-N 2 0 351.499 0.856 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+](C2CCC2)C1 ZINC000637373763 492813687 /nfs/dbraw/zinc/81/36/87/492813687.db2.gz TYVSJMNOHVLHAU-WBVHZDCISA-N 2 0 365.522 0.842 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637376733 492816735 /nfs/dbraw/zinc/81/67/35/492816735.db2.gz MXUKYCIYTZDLTF-HOTGVXAUSA-N 2 0 369.510 0.078 20 0 FCADRP C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000631674402 492833417 /nfs/dbraw/zinc/83/34/17/492833417.db2.gz UYCFLSPLWILHBM-XKQJLSEDSA-N 2 0 371.503 0.327 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000645008776 492838176 /nfs/dbraw/zinc/83/81/76/492838176.db2.gz XOEAWBLWQUEWQZ-RCCFBDPRSA-N 2 0 365.522 0.129 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000637669516 492856686 /nfs/dbraw/zinc/85/66/86/492856686.db2.gz NBGAJWRDLJTFIW-INIZCTEOSA-N 2 0 350.467 0.944 20 0 FCADRP C[C@H](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+](C)C ZINC000658429148 492886525 /nfs/dbraw/zinc/88/65/25/492886525.db2.gz VVHLRUGTBHDEIM-CYBMUJFWSA-N 2 0 350.467 0.545 20 0 FCADRP C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)C[NH+]1CCN(C)CC1 ZINC000652158562 492889116 /nfs/dbraw/zinc/88/91/16/492889116.db2.gz FPOQEKOUDJEESW-CQSZACIVSA-N 2 0 351.470 0.967 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCC[NH2+]1 ZINC000652218778 492895362 /nfs/dbraw/zinc/89/53/62/492895362.db2.gz AADJSKDMWYOIIU-UIBIWLFHSA-N 2 0 354.495 0.683 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631980983 492902673 /nfs/dbraw/zinc/90/26/73/492902673.db2.gz KNFRXAMSHHCUQN-ZBFHGGJFSA-N 2 0 355.508 0.482 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000638091238 492904002 /nfs/dbraw/zinc/90/40/02/492904002.db2.gz RSBPFLBKBLZDCN-ZMMAXQRCSA-N 2 0 352.523 0.770 20 0 FCADRP CC1(C)C[N@@H+](C2(CNC(=O)CN3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000638111707 492908146 /nfs/dbraw/zinc/90/81/46/492908146.db2.gz GDAWHOASAVKGHE-UHFFFAOYSA-N 2 0 352.523 0.822 20 0 FCADRP O=C(CN1CC[NH2+]CC1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000638109273 492908165 /nfs/dbraw/zinc/90/81/65/492908165.db2.gz SQROQKVAZJAIRY-UHFFFAOYSA-N 2 0 373.501 0.034 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652347972 492913177 /nfs/dbraw/zinc/91/31/77/492913177.db2.gz QLNFPZIYAPBVBG-FJIDUMEYSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638134718 492914181 /nfs/dbraw/zinc/91/41/81/492914181.db2.gz OFJFHCKZBFJVLI-JLLWLGSASA-N 2 0 354.405 0.963 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138226 492915541 /nfs/dbraw/zinc/91/55/41/492915541.db2.gz YHLXEPCNBSQRSC-LPHOPBHVSA-N 2 0 362.518 0.955 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000638137086 492915745 /nfs/dbraw/zinc/91/57/45/492915745.db2.gz RDXRGXVUJHHVKI-QUCCMNQESA-N 2 0 360.502 0.817 20 0 FCADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652360470 492916367 /nfs/dbraw/zinc/91/63/67/492916367.db2.gz IXKGODCUJAVFMO-BBWFWOEESA-N 2 0 352.479 0.038 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652384489 492921280 /nfs/dbraw/zinc/92/12/80/492921280.db2.gz ASMLRHOCZKNACS-UHFFFAOYSA-N 2 0 357.524 0.730 20 0 FCADRP Cn1cnc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000638345707 492938507 /nfs/dbraw/zinc/93/85/07/492938507.db2.gz XHWPLHUBZLNJAY-UHFFFAOYSA-N 2 0 355.442 0.504 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652479658 492947032 /nfs/dbraw/zinc/94/70/32/492947032.db2.gz SRMNCTWPLHIFKC-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)c2cnn(CC[NH+](C)C)c2)ccn1 ZINC000632200765 492949702 /nfs/dbraw/zinc/94/97/02/492949702.db2.gz LIODVXQQCQXLSC-UHFFFAOYSA-N 2 0 360.462 0.710 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000638587873 492962915 /nfs/dbraw/zinc/96/29/15/492962915.db2.gz IEKNWVUSHFMNFV-OAHLLOKOSA-N 2 0 352.504 0.592 20 0 FCADRP C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632306896 492969349 /nfs/dbraw/zinc/96/93/49/492969349.db2.gz YLVKYYLJZOGMOD-QZTJIDSGSA-N 2 0 360.502 0.769 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000652622908 492972238 /nfs/dbraw/zinc/97/22/38/492972238.db2.gz WKJSEPUWWCOYET-MRXNPFEDSA-N 2 0 362.478 0.374 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652632761 492974274 /nfs/dbraw/zinc/97/42/74/492974274.db2.gz BABGCFZDPPBLQE-UHFFFAOYSA-N 2 0 365.526 0.982 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3([NH3+])Cc4ccccc4C3)CC2)C1=O ZINC000638856278 492982300 /nfs/dbraw/zinc/98/23/00/492982300.db2.gz MFMZHUAHHONTJS-KRWDZBQOSA-N 2 0 356.470 0.294 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)CC2)C1=O ZINC000638855590 492982420 /nfs/dbraw/zinc/98/24/20/492982420.db2.gz FLQOMTBDQXYONY-UPJWGTAASA-N 2 0 362.396 0.196 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1=O ZINC000638856678 492982442 /nfs/dbraw/zinc/98/24/42/492982442.db2.gz QZLZCNIRFTZYHK-ROUUACIJSA-N 2 0 356.470 0.685 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3([NH3+])Cc4ccccc4C3)CC2)C1=O ZINC000638856279 492982537 /nfs/dbraw/zinc/98/25/37/492982537.db2.gz MFMZHUAHHONTJS-QGZVFWFLSA-N 2 0 356.470 0.294 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652680925 492988351 /nfs/dbraw/zinc/98/83/51/492988351.db2.gz VIOPHWIOPUBSFK-GVDBMIGSSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC000638978043 492989703 /nfs/dbraw/zinc/98/97/03/492989703.db2.gz SARKSGVZQNVUOT-OAHLLOKOSA-N 2 0 358.450 0.918 20 0 FCADRP O=C(CNC(=O)c1cccc(F)c1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984905 492991010 /nfs/dbraw/zinc/99/10/10/492991010.db2.gz UPHXXRYPOHXLBJ-UHFFFAOYSA-N 2 0 357.389 0.999 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652692174 492992188 /nfs/dbraw/zinc/99/21/88/492992188.db2.gz LDNAZTLMDFMTDH-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652708632 492996552 /nfs/dbraw/zinc/99/65/52/492996552.db2.gz YMRTXWMINPFTGL-MRXNPFEDSA-N 2 0 354.495 0.333 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC2CC[NH2+]CC2)o1 ZINC000652723352 493003641 /nfs/dbraw/zinc/00/36/41/493003641.db2.gz ZXCGMLCWDBTRPH-UHFFFAOYSA-N 2 0 364.490 0.984 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639681898 493031527 /nfs/dbraw/zinc/03/15/27/493031527.db2.gz HORSIBZSQBKWGN-MRXNPFEDSA-N 2 0 359.474 0.673 20 0 FCADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000658760058 493044697 /nfs/dbraw/zinc/04/46/97/493044697.db2.gz UZUSNUUCUCMOIE-RBUKOAKNSA-N 2 0 370.497 0.739 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850576 493056117 /nfs/dbraw/zinc/05/61/17/493056117.db2.gz VZOBPCIXJODNAY-VNTMZGSJSA-N 2 0 364.486 0.322 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC000653110752 493071931 /nfs/dbraw/zinc/07/19/31/493071931.db2.gz SOQHUPXBBFZOSA-JXFKEZNVSA-N 2 0 372.469 0.558 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124638 493074963 /nfs/dbraw/zinc/07/49/63/493074963.db2.gz CMRDKKMFDVWETI-CEXWTWQISA-N 2 0 364.534 0.770 20 0 FCADRP [NH3+]C1(CNC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C2CC3CC(C2)CC1C3 ZINC000627102925 493088341 /nfs/dbraw/zinc/08/83/41/493088341.db2.gz BHRZQOPUHDFMKF-JKSUJJTKSA-N 2 0 373.505 0.765 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000633034303 493107433 /nfs/dbraw/zinc/10/74/33/493107433.db2.gz XKKAYPKKYIMTIN-IYBDPMFKSA-N 2 0 360.458 0.918 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000633041276 493108648 /nfs/dbraw/zinc/10/86/48/493108648.db2.gz VGUYIMPYXWGETB-RYUDHWBXSA-N 2 0 352.410 0.653 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627230529 493111856 /nfs/dbraw/zinc/11/18/56/493111856.db2.gz SQXIHAIENDOKDH-KRWDZBQOSA-N 2 0 361.494 0.972 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000627230664 493112450 /nfs/dbraw/zinc/11/24/50/493112450.db2.gz KXOHVWHDOTZBPJ-KRWDZBQOSA-N 2 0 361.494 0.972 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000627235552 493114736 /nfs/dbraw/zinc/11/47/36/493114736.db2.gz UFUHGODIGVQSRG-HZPDHXFCSA-N 2 0 361.494 0.732 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000627235733 493115372 /nfs/dbraw/zinc/11/53/72/493115372.db2.gz WZDKBLYVLUCQDX-RDJZCZTQSA-N 2 0 361.494 0.734 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633082719 493117556 /nfs/dbraw/zinc/11/75/56/493117556.db2.gz QVCWEJPQNYFCKY-CALCHBBNSA-N 2 0 362.449 0.679 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000633085711 493118762 /nfs/dbraw/zinc/11/87/62/493118762.db2.gz FJLYNBJUHVKBKT-WMZOPIPTSA-N 2 0 371.485 0.120 20 0 FCADRP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000633089407 493120195 /nfs/dbraw/zinc/12/01/95/493120195.db2.gz DVIOXYHTYRQTCO-ZWKOTPCHSA-N 2 0 367.538 0.375 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633089277 493120717 /nfs/dbraw/zinc/12/07/17/493120717.db2.gz XIPXUJITSWZFCN-OALUTQOASA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095366 493122714 /nfs/dbraw/zinc/12/27/14/493122714.db2.gz SOMMMUXYOOCMNC-NJAFHUGGSA-N 2 0 356.470 0.682 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+](C)C)cc1 ZINC000627287223 493133929 /nfs/dbraw/zinc/13/39/29/493133929.db2.gz NUMXXISTCRHPJY-INIZCTEOSA-N 2 0 350.463 0.148 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1)c1ccccc1 ZINC000640836483 493134195 /nfs/dbraw/zinc/13/41/95/493134195.db2.gz GALATCUIMPNOKV-ZHALLVOQSA-N 2 0 372.473 0.876 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000627290070 493135471 /nfs/dbraw/zinc/13/54/71/493135471.db2.gz DFGBKFXZKHAPHJ-KBPBESRZSA-N 2 0 352.504 0.923 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000646974538 493137709 /nfs/dbraw/zinc/13/77/09/493137709.db2.gz RMOSQMBHVUOKBQ-IRXDYDNUSA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659072852 493139832 /nfs/dbraw/zinc/13/98/32/493139832.db2.gz CYRLVNHMPVXBHA-OLMNPRSZSA-N 2 0 372.469 0.839 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000659092482 493149079 /nfs/dbraw/zinc/14/90/79/493149079.db2.gz QXWKUQVIOYDRSI-UHFFFAOYSA-N 2 0 354.426 0.900 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000627325395 493153978 /nfs/dbraw/zinc/15/39/78/493153978.db2.gz IASSTBORECJVQT-NQBHXWOUSA-N 2 0 362.396 0.325 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647058540 493155120 /nfs/dbraw/zinc/15/51/20/493155120.db2.gz PSNWYLTVAVIENI-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000627329038 493156242 /nfs/dbraw/zinc/15/62/42/493156242.db2.gz XVPUCVNHIUKIRB-WJFTUGDTSA-N 2 0 370.497 0.881 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000627338456 493160458 /nfs/dbraw/zinc/16/04/58/493160458.db2.gz GYFKTOHYNHZBBZ-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190585 493176846 /nfs/dbraw/zinc/17/68/46/493176846.db2.gz FVPMYJMHSROBAB-UHFFFAOYSA-N 2 0 369.535 0.967 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000659277777 493181352 /nfs/dbraw/zinc/18/13/52/493181352.db2.gz FNFPLSMVAFPHLG-UHFFFAOYSA-N 2 0 373.461 0.561 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641215108 493182305 /nfs/dbraw/zinc/18/23/05/493182305.db2.gz MZWWLJOZUKLUOB-FQEVSTJZSA-N 2 0 372.517 0.737 20 0 FCADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@H+](C)C(C)C)nn2)c1 ZINC000641224626 493185930 /nfs/dbraw/zinc/18/59/30/493185930.db2.gz WOBCKIQPCHAFAA-INIZCTEOSA-N 2 0 360.462 0.804 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388255 493196443 /nfs/dbraw/zinc/19/64/43/493196443.db2.gz PKBGUROBWDSCCZ-WBVHZDCISA-N 2 0 362.474 0.199 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000627397310 493202169 /nfs/dbraw/zinc/20/21/69/493202169.db2.gz KANZAMFDFCJTSV-UHFFFAOYSA-N 2 0 368.522 0.725 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659553231 493211751 /nfs/dbraw/zinc/21/17/51/493211751.db2.gz WKTGMCXTZRVFMC-GJZGRUSLSA-N 2 0 353.511 0.794 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659600621 493219019 /nfs/dbraw/zinc/21/90/19/493219019.db2.gz AYFBPWWXKIVFCR-HZPDHXFCSA-N 2 0 365.522 0.890 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659600617 493219357 /nfs/dbraw/zinc/21/93/57/493219357.db2.gz AYFBPWWXKIVFCR-HOTGVXAUSA-N 2 0 365.522 0.890 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630218 493223601 /nfs/dbraw/zinc/22/36/01/493223601.db2.gz GXOQQHRKBNGBQD-IUODEOHRSA-N 2 0 360.462 0.799 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672696436 493234416 /nfs/dbraw/zinc/23/44/16/493234416.db2.gz XJRBKTALTKXCMQ-IXDOHACOSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000666972353 493243170 /nfs/dbraw/zinc/24/31/70/493243170.db2.gz XKSQVZQTGDCZIY-SQNIBIBYSA-N 2 0 366.506 0.480 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000659678983 493247276 /nfs/dbraw/zinc/24/72/76/493247276.db2.gz BJWIOADIYXQHRP-CVEARBPZSA-N 2 0 366.506 0.258 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659680552 493248290 /nfs/dbraw/zinc/24/82/90/493248290.db2.gz YWFIAWQMBCFLNG-HUUCEWRRSA-N 2 0 354.495 0.066 20 0 FCADRP CC1(C)CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCN1CCO ZINC000667014721 493248639 /nfs/dbraw/zinc/24/86/39/493248639.db2.gz JQGQJVTUTSZAGZ-UHFFFAOYSA-N 2 0 360.458 0.186 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659689127 493254612 /nfs/dbraw/zinc/25/46/12/493254612.db2.gz TVDZPONLHPVJLT-QGZVFWFLSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000659690357 493255556 /nfs/dbraw/zinc/25/55/56/493255556.db2.gz RVGAFTPJNLVYCW-ZDUSSCGKSA-N 2 0 350.438 0.630 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659695079 493258051 /nfs/dbraw/zinc/25/80/51/493258051.db2.gz RHTMYORUNGRGHF-KYJSFNMBSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccc(F)cc1 ZINC000659696905 493258341 /nfs/dbraw/zinc/25/83/41/493258341.db2.gz CULXDEFXIWIIGX-OAHLLOKOSA-N 2 0 350.438 0.932 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000659700172 493261071 /nfs/dbraw/zinc/26/10/71/493261071.db2.gz CRLIZGDJOILEDY-GUTXKFCHSA-N 2 0 352.504 0.971 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672882329 493262639 /nfs/dbraw/zinc/26/26/39/493262639.db2.gz RLKKKKVQDAQPIK-UHFFFAOYSA-N 2 0 355.527 0.112 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659703859 493263131 /nfs/dbraw/zinc/26/31/31/493263131.db2.gz IXAPXODTQKLMDB-UHFFFAOYSA-N 2 0 356.536 0.660 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704040 493263603 /nfs/dbraw/zinc/26/36/03/493263603.db2.gz HUTHKBDBLNXWNV-QZTJIDSGSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)Cc1ccc(F)cc1 ZINC000659707436 493265115 /nfs/dbraw/zinc/26/51/15/493265115.db2.gz IRFRZYPMDLLJRE-UHFFFAOYSA-N 2 0 350.438 0.761 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659707042 493265404 /nfs/dbraw/zinc/26/54/04/493265404.db2.gz GBJCSYNEEMSASO-UHFFFAOYSA-N 2 0 354.495 0.380 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659716350 493269631 /nfs/dbraw/zinc/26/96/31/493269631.db2.gz ZOWWYPCHJDRFND-SFHVURJKSA-N 2 0 373.501 0.526 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659716349 493269731 /nfs/dbraw/zinc/26/97/31/493269731.db2.gz ZOWWYPCHJDRFND-GOSISDBHSA-N 2 0 373.501 0.526 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659722452 493272814 /nfs/dbraw/zinc/27/28/14/493272814.db2.gz FKILEUMLWPBSMG-GDBMZVCRSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCn2cncc2C1 ZINC000641667614 493273050 /nfs/dbraw/zinc/27/30/50/493273050.db2.gz HEAZXCLSNUXETR-DLBZAZTESA-N 2 0 361.490 0.358 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727365 493275012 /nfs/dbraw/zinc/27/50/12/493275012.db2.gz DJMZMZFLFZGHNZ-QGZVFWFLSA-N 2 0 359.474 0.360 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670889 493275761 /nfs/dbraw/zinc/27/57/61/493275761.db2.gz RCRXCWVAJUMNQL-SJORKVTESA-N 2 0 370.563 0.337 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667335653 493277137 /nfs/dbraw/zinc/27/71/37/493277137.db2.gz JSRRNUWSBVEWLO-UHFFFAOYSA-N 2 0 367.538 0.770 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659730937 493277329 /nfs/dbraw/zinc/27/73/29/493277329.db2.gz VTZKCJIKGFFYPU-QGZVFWFLSA-N 2 0 359.474 0.360 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC000659734613 493278553 /nfs/dbraw/zinc/27/85/53/493278553.db2.gz AADBFFVTLDWPNL-NVXWUHKLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000682222414 493279979 /nfs/dbraw/zinc/27/99/79/493279979.db2.gz ULRMCRIMCZEUDH-UHFFFAOYSA-N 2 0 350.467 0.183 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659739707 493280383 /nfs/dbraw/zinc/28/03/83/493280383.db2.gz YJRFNZGEHAIZEM-GOSISDBHSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000673026118 493281878 /nfs/dbraw/zinc/28/18/78/493281878.db2.gz SGDOGRVCZMJBFJ-KRWDZBQOSA-N 2 0 374.529 0.860 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[NH2+]1 ZINC000659755984 493286625 /nfs/dbraw/zinc/28/66/25/493286625.db2.gz OKYBZLHGRKHVKM-QGZVFWFLSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000667564837 493290279 /nfs/dbraw/zinc/29/02/79/493290279.db2.gz ZCJGNOGIRHOORO-GASCZTMLSA-N 2 0 360.458 0.633 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000673225235 493305019 /nfs/dbraw/zinc/30/50/19/493305019.db2.gz SLSNKXOTNILORD-HNNXBMFYSA-N 2 0 361.490 0.823 20 0 FCADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000673299467 493314451 /nfs/dbraw/zinc/31/44/51/493314451.db2.gz DSKVKJFNPXMHNJ-CVEARBPZSA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)n2)CC1 ZINC000683866229 493374898 /nfs/dbraw/zinc/37/48/98/493374898.db2.gz WQRCWTBVBRAQBT-MRXNPFEDSA-N 2 0 374.489 0.785 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000668584770 493380368 /nfs/dbraw/zinc/38/03/68/493380368.db2.gz FIZHEVKULWRJSI-ROUUACIJSA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668635043 493387855 /nfs/dbraw/zinc/38/78/55/493387855.db2.gz HIJWXABULCEUPT-QGZVFWFLSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860984 493388108 /nfs/dbraw/zinc/38/81/08/493388108.db2.gz ADGKJFVZBAFDQU-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP COC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329506 493408885 /nfs/dbraw/zinc/40/88/85/493408885.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 2 0 367.538 0.565 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841170 493419761 /nfs/dbraw/zinc/41/97/61/493419761.db2.gz HGBKWEVYOBYBDC-JKSUJKDBSA-N 2 0 366.506 0.347 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661232703 493420082 /nfs/dbraw/zinc/42/00/82/493420082.db2.gz HTEKRBIEBOPIQL-MSOLQXFVSA-N 2 0 371.485 0.815 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000661231712 493420289 /nfs/dbraw/zinc/42/02/89/493420289.db2.gz SMHDUAHTBBFPLH-MRXNPFEDSA-N 2 0 353.511 0.762 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000668989015 493446889 /nfs/dbraw/zinc/44/68/89/493446889.db2.gz OMSFOQUNEPKLBG-DLBZAZTESA-N 2 0 358.490 0.727 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000669139233 493467358 /nfs/dbraw/zinc/46/73/58/493467358.db2.gz SGWZOEQMGKPLFU-WMLDXEAASA-N 2 0 350.463 0.885 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189990 493472774 /nfs/dbraw/zinc/47/27/74/493472774.db2.gz FXUKRCWFJJWTAT-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306598 493473326 /nfs/dbraw/zinc/47/33/26/493473326.db2.gz GXJSTRIOCWUWLQ-YOEHRIQHSA-N 2 0 357.458 0.329 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000661948149 493478068 /nfs/dbraw/zinc/47/80/68/493478068.db2.gz UCPDIHHGFRJDKC-XYTVBORESA-N 2 0 365.522 0.854 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000669452528 493504200 /nfs/dbraw/zinc/50/42/00/493504200.db2.gz JIVCECGZQIVENQ-QGZVFWFLSA-N 2 0 361.490 0.919 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296819 493504328 /nfs/dbraw/zinc/50/43/28/493504328.db2.gz NMRZZZPUTHEVDG-ZWKOTPCHSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486515 493506413 /nfs/dbraw/zinc/50/64/13/493506413.db2.gz TYASLZMHXLQTML-QZTJIDSGSA-N 2 0 367.538 0.600 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCC1 ZINC000662345104 493508648 /nfs/dbraw/zinc/50/86/48/493508648.db2.gz GSCBJPWEOYSQOD-MRXNPFEDSA-N 2 0 358.446 0.812 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000669570333 493511524 /nfs/dbraw/zinc/51/15/24/493511524.db2.gz SPEOGACJWXNDGG-DLBZAZTESA-N 2 0 364.515 0.892 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662416971 493514022 /nfs/dbraw/zinc/51/40/22/493514022.db2.gz LLJIYISYVFDWDU-AWEZNQCLSA-N 2 0 369.473 0.563 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449616 493516683 /nfs/dbraw/zinc/51/66/83/493516683.db2.gz ZPGLUHKQYULSOP-IEBWSBKVSA-N 2 0 358.486 0.696 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC000662457755 493517921 /nfs/dbraw/zinc/51/79/21/493517921.db2.gz MUROSBFFFITUTQ-AYOQOUSVSA-N 2 0 374.533 0.316 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000676001471 493518061 /nfs/dbraw/zinc/51/80/61/493518061.db2.gz KIBVWBZSQAWTOH-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662462856 493518161 /nfs/dbraw/zinc/51/81/61/493518161.db2.gz OYERRJTVSVBEBT-MJGOQNOKSA-N 2 0 358.486 0.744 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000662658324 493530297 /nfs/dbraw/zinc/53/02/97/493530297.db2.gz DHIIUAHOKZAULK-SJORKVTESA-N 2 0 367.515 0.524 20 0 FCADRP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1(O)C[NH2+]C1 ZINC000662737718 493535863 /nfs/dbraw/zinc/53/58/63/493535863.db2.gz BETSEVOMDZAKRQ-UHFFFAOYSA-N 2 0 353.850 0.634 20 0 FCADRP [NH3+]C1(CNC(=O)C2(n3cnnn3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000662816108 493544532 /nfs/dbraw/zinc/54/45/32/493544532.db2.gz MMYHCZRKDSUNOK-UHFFFAOYSA-N 2 0 355.446 0.272 20 0 FCADRP Cc1c(C[NH3+])c(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)nn1C ZINC000662838418 493546145 /nfs/dbraw/zinc/54/61/45/493546145.db2.gz ZBQATOQBOYOLRR-UHFFFAOYSA-N 2 0 357.462 0.733 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836937 493546154 /nfs/dbraw/zinc/54/61/54/493546154.db2.gz IPYVIZVOSMFXAH-KGLIPLIRSA-N 2 0 362.478 0.459 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000662867985 493548275 /nfs/dbraw/zinc/54/82/75/493548275.db2.gz UJJDTOFSFNXACL-INMHGKMJSA-N 2 0 350.438 0.487 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394348 493548942 /nfs/dbraw/zinc/54/89/42/493548942.db2.gz ZTBZDBPUOZPBSJ-CTNGQTDRSA-N 2 0 373.497 0.993 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000662895654 493550142 /nfs/dbraw/zinc/55/01/42/493550142.db2.gz FIUCYSIXAWLADX-QZWWFDLISA-N 2 0 350.507 0.905 20 0 FCADRP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899112 493550173 /nfs/dbraw/zinc/55/01/73/493550173.db2.gz BKEZIXLFTFDJMY-SFHVURJKSA-N 2 0 374.533 0.589 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662930526 493555399 /nfs/dbraw/zinc/55/53/99/493555399.db2.gz QZOUEXXNHVGZPJ-HOTGVXAUSA-N 2 0 367.538 0.199 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000662947994 493559557 /nfs/dbraw/zinc/55/95/57/493559557.db2.gz DVPZSCFAKXZUNA-MSOLQXFVSA-N 2 0 358.486 0.712 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000662956991 493560741 /nfs/dbraw/zinc/56/07/41/493560741.db2.gz CTEHRRSBCRDTEE-KBAYOESNSA-N 2 0 358.486 0.567 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000662961568 493561506 /nfs/dbraw/zinc/56/15/06/493561506.db2.gz FKMQBXGHTQUEMW-DLBZAZTESA-N 2 0 358.486 0.915 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000670429622 493565452 /nfs/dbraw/zinc/56/54/52/493565452.db2.gz DRTSOJLNFZGTGB-SJORKVTESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020031 493567213 /nfs/dbraw/zinc/56/72/13/493567213.db2.gz VNAPXKLOMRJVSU-PMPSAXMXSA-N 2 0 360.506 0.913 20 0 FCADRP Cn1ccnc1CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC12CC[NH2+]CC2 ZINC000663217638 493577480 /nfs/dbraw/zinc/57/74/80/493577480.db2.gz OSZPZHKIZCBORB-DOXZYTNZSA-N 2 0 359.474 0.127 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000670628480 493581159 /nfs/dbraw/zinc/58/11/59/493581159.db2.gz FQZAGLXMBIVSNZ-RBUKOAKNSA-N 2 0 370.497 0.978 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663409476 493587701 /nfs/dbraw/zinc/58/77/01/493587701.db2.gz OAOKYVHBNAMHDK-UHFFFAOYSA-N 2 0 355.527 0.957 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663558603 493597786 /nfs/dbraw/zinc/59/77/86/493597786.db2.gz UVOSFSGUVJHCHH-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663580580 493601080 /nfs/dbraw/zinc/60/10/80/493601080.db2.gz SNZJPWIZIQFOCJ-SFHVURJKSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000670984505 493619670 /nfs/dbraw/zinc/61/96/70/493619670.db2.gz MYDYFULBNYEHSG-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000670997794 493621785 /nfs/dbraw/zinc/62/17/85/493621785.db2.gz LEXOAJBBZOATBI-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677941436 493626008 /nfs/dbraw/zinc/62/60/08/493626008.db2.gz FWHPNWIIMYNAIO-IPMKNSEASA-N 2 0 358.486 0.128 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071373 493629571 /nfs/dbraw/zinc/62/95/71/493629571.db2.gz FZEOUUHECARNPU-DYVFJYSZSA-N 2 0 356.536 0.386 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091658 493632064 /nfs/dbraw/zinc/63/20/64/493632064.db2.gz XMHMMFXAESDFOP-KRWDZBQOSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091512 493632085 /nfs/dbraw/zinc/63/20/85/493632085.db2.gz NSGOTABJCAOSIQ-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100329 493632876 /nfs/dbraw/zinc/63/28/76/493632876.db2.gz BJPUYIAHZWGCAT-ZACQAIPSSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671102509 493633662 /nfs/dbraw/zinc/63/36/62/493633662.db2.gz PRLOYABOMDTCMA-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104573 493635063 /nfs/dbraw/zinc/63/50/63/493635063.db2.gz WEPMBMPKUBKBLT-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000671108077 493635788 /nfs/dbraw/zinc/63/57/88/493635788.db2.gz MQOMOUOKQCIBIN-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671108374 493636568 /nfs/dbraw/zinc/63/65/68/493636568.db2.gz XTPUUIWRUAQBTC-LTIDMASMSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671108360 493636690 /nfs/dbraw/zinc/63/66/90/493636690.db2.gz OIDMRNZOYDMIPA-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109920 493636714 /nfs/dbraw/zinc/63/67/14/493636714.db2.gz ZFFDTBJJHVVWJF-RDJZCZTQSA-N 2 0 357.458 0.473 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000671171654 493645450 /nfs/dbraw/zinc/64/54/50/493645450.db2.gz BELMTXDWOYXDJL-QGZVFWFLSA-N 2 0 369.554 0.221 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)Cc1ccccc1 ZINC000671390405 493663197 /nfs/dbraw/zinc/66/31/97/493663197.db2.gz YWVHQDZZHFIMPE-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC000679369664 493676683 /nfs/dbraw/zinc/67/66/83/493676683.db2.gz XMTSAFPEJHFUSZ-BBRMVZONSA-N 2 0 354.414 0.758 20 0 FCADRP C[C@@H](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000665128258 493701261 /nfs/dbraw/zinc/70/12/61/493701261.db2.gz ODDHHAQPBVSZFP-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236404 493706132 /nfs/dbraw/zinc/70/61/32/493706132.db2.gz LWOYKRWCKRMBQG-CYZMBNFOSA-N 2 0 371.279 0.916 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671819762 493707783 /nfs/dbraw/zinc/70/77/83/493707783.db2.gz VMPRTKGIWROTEM-GJZGRUSLSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009151 493724006 /nfs/dbraw/zinc/72/40/06/493724006.db2.gz YXQNUMFWDFSLCR-CVEARBPZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014963 493724823 /nfs/dbraw/zinc/72/48/23/493724823.db2.gz ZMZDEXFCTOEYCN-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014970 493725147 /nfs/dbraw/zinc/72/51/47/493725147.db2.gz ZMZDEXFCTOEYCN-XIRDDKMYSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308023 493753476 /nfs/dbraw/zinc/75/34/76/493753476.db2.gz WLMCRBSSFMLWSP-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672308617 493753669 /nfs/dbraw/zinc/75/36/69/493753669.db2.gz VJWLVRMVYDNMMB-INIZCTEOSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309453 493754362 /nfs/dbraw/zinc/75/43/62/493754362.db2.gz NOJRHVKMBJCFGA-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672311312 493754650 /nfs/dbraw/zinc/75/46/50/493754650.db2.gz CUISJHPRWQWUSD-YOEHRIQHSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000419927325 536448942 /nfs/dbraw/zinc/44/89/42/536448942.db2.gz CHHVMIGGFUMGBO-CQSZACIVSA-N 2 0 352.454 0.688 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423610751 536460380 /nfs/dbraw/zinc/46/03/80/536460380.db2.gz NLRDJUKPOKBCTL-AWEZNQCLSA-N 2 0 352.504 0.706 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847517 527823983 /nfs/dbraw/zinc/82/39/83/527823983.db2.gz WOSFUWXOGWOSOL-AEFFLSMTSA-N 2 0 364.534 0.977 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410978440 527828073 /nfs/dbraw/zinc/82/80/73/527828073.db2.gz LFUPSXPSZZXJEL-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000410812501 527843179 /nfs/dbraw/zinc/84/31/79/527843179.db2.gz XWGGWVPUNUONJC-DLBZAZTESA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000410839567 528145477 /nfs/dbraw/zinc/14/54/77/528145477.db2.gz CNMNRQFSZHYXKR-GVDBMIGSSA-N 2 0 366.506 0.108 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410806648 528434191 /nfs/dbraw/zinc/43/41/91/528434191.db2.gz FUERTAOMNXNYLQ-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000411768901 528996297 /nfs/dbraw/zinc/99/62/97/528996297.db2.gz JICXKZWLBQGUBR-RBUKOAKNSA-N 2 0 353.507 0.885 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000412479625 529005572 /nfs/dbraw/zinc/00/55/72/529005572.db2.gz RQYSHOLZRBGFPJ-KRWDZBQOSA-N 2 0 352.523 0.774 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031259 529074713 /nfs/dbraw/zinc/07/47/13/529074713.db2.gz SLFXIRNNIXEDIX-LPHOPBHVSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419698213 535070735 /nfs/dbraw/zinc/07/07/35/535070735.db2.gz PFDUKKFCVNXJBV-APWZRJJASA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419696789 535071546 /nfs/dbraw/zinc/07/15/46/535071546.db2.gz NFQVOSMQDBBMSU-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419695580 535073940 /nfs/dbraw/zinc/07/39/40/535073940.db2.gz LAHDWQDVRZPFFK-JKSUJKDBSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419392782 535081395 /nfs/dbraw/zinc/08/13/95/535081395.db2.gz LSKSOJZETLXQSK-QGZVFWFLSA-N 2 0 358.486 0.889 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C[NH+]1CCCC1 ZINC000419670318 535084653 /nfs/dbraw/zinc/08/46/53/535084653.db2.gz WTPITGBMQDWRAD-JYJNAYRXSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140578 535126304 /nfs/dbraw/zinc/12/63/04/535126304.db2.gz SNAQWLKCVYPUNW-LSDHHAIUSA-N 2 0 350.467 0.289 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419171193 535200418 /nfs/dbraw/zinc/20/04/18/535200418.db2.gz XGLJMRIJFCIGRB-MRXNPFEDSA-N 2 0 362.474 0.247 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423524297 535542947 /nfs/dbraw/zinc/54/29/47/535542947.db2.gz ODXXGJIBGXILFN-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1=O ZINC000424029249 535552818 /nfs/dbraw/zinc/55/28/18/535552818.db2.gz ZEBNRHBLFGOCCY-VVLHAWIVSA-N 2 0 350.507 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1=O ZINC000424029248 535553220 /nfs/dbraw/zinc/55/32/20/535553220.db2.gz ZEBNRHBLFGOCCY-QBPKDAKJSA-N 2 0 350.507 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419842884 535595346 /nfs/dbraw/zinc/59/53/46/535595346.db2.gz ILMUMBLXGXBDQY-KRWDZBQOSA-N 2 0 361.490 0.620 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039829 535595968 /nfs/dbraw/zinc/59/59/68/535595968.db2.gz YYEUQDKDNINUGF-GJZGRUSLSA-N 2 0 351.499 0.934 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000419369529 535652589 /nfs/dbraw/zinc/65/25/89/535652589.db2.gz HUUKZFOTIADYBR-GJZGRUSLSA-N 2 0 368.503 0.352 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CC(C)C ZINC000419125281 535668690 /nfs/dbraw/zinc/66/86/90/535668690.db2.gz JRVHFTFVNOXWMO-BBWFWOEESA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000415476669 535751028 /nfs/dbraw/zinc/75/10/28/535751028.db2.gz CMLPOLOEJWYWPJ-QGZVFWFLSA-N 2 0 359.474 0.717 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419662355 535839376 /nfs/dbraw/zinc/83/93/76/535839376.db2.gz OGZCQAWTNZGQDW-INIZCTEOSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419768434 535895016 /nfs/dbraw/zinc/89/50/16/535895016.db2.gz CMKFLYZBNYLHAU-SFHVURJKSA-N 2 0 372.469 0.650 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000419657226 535902999 /nfs/dbraw/zinc/90/29/99/535902999.db2.gz JHTMWPZDVBTNKW-INIZCTEOSA-N 2 0 362.474 0.154 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419218623 535904416 /nfs/dbraw/zinc/90/44/16/535904416.db2.gz SKVWDNVRLYRCOU-INIZCTEOSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1Cl ZINC000415325518 535907155 /nfs/dbraw/zinc/90/71/55/535907155.db2.gz JBMGDDACWUHTNF-LBPRGKRZSA-N 2 0 354.838 0.697 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418360638 535917230 /nfs/dbraw/zinc/91/72/30/535917230.db2.gz GFRWTEXJRWJFNC-MRXNPFEDSA-N 2 0 361.490 0.821 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCO1 ZINC000453708036 535968268 /nfs/dbraw/zinc/96/82/68/535968268.db2.gz BQKLVTAEWZXNSQ-WMZOPIPTSA-N 2 0 374.485 0.963 20 0 FCADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423711249 535973178 /nfs/dbraw/zinc/97/31/78/535973178.db2.gz MASKKULQVDXDSA-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000423830066 536002870 /nfs/dbraw/zinc/00/28/70/536002870.db2.gz AKFDYOCWSGLLFQ-MRXNPFEDSA-N 2 0 350.438 0.762 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443078383 536116313 /nfs/dbraw/zinc/11/63/13/536116313.db2.gz WXSQXSUIXIZFOD-AWEZNQCLSA-N 2 0 368.503 0.936 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000419411985 536123015 /nfs/dbraw/zinc/12/30/15/536123015.db2.gz QHMUZUBAKGKTLW-CJNGLKHVSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419160640 536336894 /nfs/dbraw/zinc/33/68/94/536336894.db2.gz QGJRVWXYTIFILM-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424491815 536367694 /nfs/dbraw/zinc/36/76/94/536367694.db2.gz FXCMHQWHBZLECC-RCCFBDPRSA-N 2 0 356.470 0.540 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423401757 536367784 /nfs/dbraw/zinc/36/77/84/536367784.db2.gz XHYJYYLLVIWWGR-SJLPKXTDSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000415314999 536416914 /nfs/dbraw/zinc/41/69/14/536416914.db2.gz HHSSMXXWNNEFBD-UHFFFAOYSA-N 2 0 359.474 0.194 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835714 536433585 /nfs/dbraw/zinc/43/35/85/536433585.db2.gz AOZFQZYJAYUHJL-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000423667223 536652639 /nfs/dbraw/zinc/65/26/39/536652639.db2.gz IYKBHMQXENWAKW-DLBZAZTESA-N 2 0 366.506 0.428 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419757552 536745936 /nfs/dbraw/zinc/74/59/36/536745936.db2.gz UQAQSDDUTYGJIH-GJZGRUSLSA-N 2 0 368.522 0.578 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424503133 536858922 /nfs/dbraw/zinc/85/89/22/536858922.db2.gz HNHBZRVXDLXVCZ-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC000501791846 546566197 /nfs/dbraw/zinc/56/61/97/546566197.db2.gz GWLCRIWKIHJRMJ-MKXGPGLRSA-N 2 0 357.539 0.889 20 0 FCADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000093583090 546591883 /nfs/dbraw/zinc/59/18/83/546591883.db2.gz WLJBJFGNJJZSMQ-GOSISDBHSA-N 2 0 351.491 0.752 20 0 FCADRP COCC1(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC[NH2+]CC1 ZINC000592219279 546621675 /nfs/dbraw/zinc/62/16/75/546621675.db2.gz HVIGFZIMYYQWGQ-QGZVFWFLSA-N 2 0 352.523 0.630 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418505927 546906788 /nfs/dbraw/zinc/90/67/88/546906788.db2.gz GMTDZAJYLYJYOX-IYBDPMFKSA-N 2 0 356.511 0.753 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000550903533 547113537 /nfs/dbraw/zinc/11/35/37/547113537.db2.gz ZKFBYSYYEIDLNU-VYDXJSESSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911654 547114311 /nfs/dbraw/zinc/11/43/11/547114311.db2.gz UERQHEBOYJDOCI-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903876 547114381 /nfs/dbraw/zinc/11/43/81/547114381.db2.gz LARHLENHJVOUFE-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911653 547115246 /nfs/dbraw/zinc/11/52/46/547115246.db2.gz UERQHEBOYJDOCI-PBHICJAKSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000550954602 547117494 /nfs/dbraw/zinc/11/74/94/547117494.db2.gz BUYGGNLXCKTSQH-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000551039523 547121145 /nfs/dbraw/zinc/12/11/45/547121145.db2.gz KLDRPGZZOOYLOX-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000551213350 547134491 /nfs/dbraw/zinc/13/44/91/547134491.db2.gz OGCKWNQZRKAKLA-SFHVURJKSA-N 2 0 370.563 0.730 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278626 547138446 /nfs/dbraw/zinc/13/84/46/547138446.db2.gz SALOZDNGHCROLA-JKSUJKDBSA-N 2 0 350.507 0.681 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551282059 547139110 /nfs/dbraw/zinc/13/91/10/547139110.db2.gz QGRSEFTWWCMDQD-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624554 547156830 /nfs/dbraw/zinc/15/68/30/547156830.db2.gz WDOXGMIWKKJGRU-CZUORRHYSA-N 2 0 350.507 0.964 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551853108 547167828 /nfs/dbraw/zinc/16/78/28/547167828.db2.gz UYKSZDJXISLJGL-UHFFFAOYSA-N 2 0 356.511 0.402 20 0 FCADRP COCc1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000552072791 547186805 /nfs/dbraw/zinc/18/68/05/547186805.db2.gz LPCHOIOBXJOYSF-UHFFFAOYSA-N 2 0 373.519 0.956 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000552970915 547243964 /nfs/dbraw/zinc/24/39/64/547243964.db2.gz VYBPWDRMINPQGO-UHFFFAOYSA-N 2 0 356.511 0.260 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1CC1 ZINC000553099388 547253324 /nfs/dbraw/zinc/25/33/24/547253324.db2.gz PJDIEZFAADLAGB-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000553359651 547272506 /nfs/dbraw/zinc/27/25/06/547272506.db2.gz AVGCIQKASYZMBA-VYDXJSESSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000581478345 547323911 /nfs/dbraw/zinc/32/39/11/547323911.db2.gz FHJIMFSOYBEXNM-UHFFFAOYSA-N 2 0 353.492 0.253 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000949186999 674396691 /nfs/dbraw/zinc/39/66/91/674396691.db2.gz BBIZSMWBYJSKNC-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000949535859 674407063 /nfs/dbraw/zinc/40/70/63/674407063.db2.gz NTVGNUWPHVVVFH-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949838483 674414040 /nfs/dbraw/zinc/41/40/40/674414040.db2.gz KCRRMWYXFDOSPJ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000736766903 598333144 /nfs/dbraw/zinc/33/31/44/598333144.db2.gz INSKFYSPGSYHDH-MRXNPFEDSA-N 2 0 357.462 0.709 20 0 FCADRP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025525 598522574 /nfs/dbraw/zinc/52/25/74/598522574.db2.gz LQDOBVNCZGEIMM-KGLIPLIRSA-N 2 0 359.482 0.817 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736856671 599489034 /nfs/dbraw/zinc/48/90/34/599489034.db2.gz MHTQBQUPHUJXTQ-UHFFFAOYSA-N 2 0 369.477 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000956021392 674516531 /nfs/dbraw/zinc/51/65/31/674516531.db2.gz BAVKJHHEFOGKJC-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000957013857 674533444 /nfs/dbraw/zinc/53/34/44/674533444.db2.gz KVZZDDAUFLLVTH-OGWOLHLISA-N 2 0 350.507 0.918 20 0 FCADRP Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000821584636 606288812 /nfs/dbraw/zinc/28/88/12/606288812.db2.gz MGRCLRFRANHXLB-UHFFFAOYSA-N 2 0 362.482 0.551 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821351057 606635234 /nfs/dbraw/zinc/63/52/34/606635234.db2.gz JTTOTZVOPZIADO-OLZOCXBDSA-N 2 0 363.470 0.051 20 0 FCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821351056 606635269 /nfs/dbraw/zinc/63/52/69/606635269.db2.gz JTTOTZVOPZIADO-CHWSQXEVSA-N 2 0 363.470 0.051 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989478819 665817033 /nfs/dbraw/zinc/81/70/33/665817033.db2.gz PUXUZDIVTHXUKF-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(NC1CC[NH+](C2CCOCC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000898641372 665891884 /nfs/dbraw/zinc/89/18/84/665891884.db2.gz VUNDLASBDXLDJS-UHFFFAOYSA-N 2 0 351.491 0.857 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000899200818 665932447 /nfs/dbraw/zinc/93/24/47/665932447.db2.gz OXLOLXOSTFYNCV-KRWDZBQOSA-N 2 0 351.491 0.857 20 0 FCADRP CCOCCCNC(=[NH2+])NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000079928568 663222060 /nfs/dbraw/zinc/22/20/60/663222060.db2.gz QHXHKDQTVVACAK-UHFFFAOYSA-N 2 0 355.527 0.944 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCNC1=O ZINC000891079839 663302357 /nfs/dbraw/zinc/30/23/57/663302357.db2.gz OZTDCRCEPBYWGS-OAHLLOKOSA-N 2 0 354.499 0.069 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)[NH+](C)C ZINC001021707214 663349211 /nfs/dbraw/zinc/34/92/11/663349211.db2.gz HOJKWMNLLTXNCS-JZXOWHBKSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)CC1 ZINC000933063535 663357737 /nfs/dbraw/zinc/35/77/37/663357737.db2.gz PEMDNTWXCORPTR-KRWDZBQOSA-N 2 0 353.507 0.981 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891440306 663393503 /nfs/dbraw/zinc/39/35/03/663393503.db2.gz XFLOPDBDCUZUMP-WCQYABFASA-N 2 0 352.401 0.876 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001022103878 663404718 /nfs/dbraw/zinc/40/47/18/663404718.db2.gz OHFGSCCBDFSZAY-WCXIOVBPSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001022104810 663404937 /nfs/dbraw/zinc/40/49/37/663404937.db2.gz DNGCYYFNCLPTNN-DMRKSPOLSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001022106776 663405205 /nfs/dbraw/zinc/40/52/05/663405205.db2.gz NOSIZKUPDPZPBL-VVLHAWIVSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891536294 663412965 /nfs/dbraw/zinc/41/29/65/663412965.db2.gz RIYZRYZIKRHHDJ-KBXCAEBGSA-N 2 0 351.495 0.180 20 0 FCADRP COCCC1(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC000891604591 663418094 /nfs/dbraw/zinc/41/80/94/663418094.db2.gz ZCBRLJNDYCSYET-MRXNPFEDSA-N 2 0 355.527 0.328 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000891653803 663423283 /nfs/dbraw/zinc/42/32/83/663423283.db2.gz HBGPBXCUHNEEPK-UKRRQHHQSA-N 2 0 353.511 0.744 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000891880953 663445797 /nfs/dbraw/zinc/44/57/97/663445797.db2.gz QCLBUFFIEWLKTC-QWHCGFSZSA-N 2 0 365.444 0.791 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892036926 663469388 /nfs/dbraw/zinc/46/93/88/663469388.db2.gz QSWJUPUFZIIEOD-SJORKVTESA-N 2 0 355.527 0.456 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892107737 663477162 /nfs/dbraw/zinc/47/71/62/663477162.db2.gz ITTPGZPTVIGXQJ-QWHCGFSZSA-N 2 0 365.444 0.900 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892109029 663477378 /nfs/dbraw/zinc/47/73/78/663477378.db2.gz YLCKTMTZZTWRQM-GHMZBOCLSA-N 2 0 373.370 0.367 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000892262681 663507534 /nfs/dbraw/zinc/50/75/34/663507534.db2.gz GNYNEOHCCWMJFF-HNNXBMFYSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000892263400 663508385 /nfs/dbraw/zinc/50/83/85/663508385.db2.gz OVGYMGNJSFFFRM-MRXNPFEDSA-N 2 0 353.511 0.761 20 0 FCADRP C[C@@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000924489525 663611028 /nfs/dbraw/zinc/61/10/28/663611028.db2.gz ALFXVJXTAFYNCS-CVEARBPZSA-N 2 0 351.495 0.276 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892610649 664048854 /nfs/dbraw/zinc/04/88/54/664048854.db2.gz FGIKMTWCHVFZGQ-QGZVFWFLSA-N 2 0 350.463 0.158 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000892649786 664059099 /nfs/dbraw/zinc/05/90/99/664059099.db2.gz MAJQUUIQTGRGJY-XHSDSOJGSA-N 2 0 351.495 0.132 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000973330383 664099249 /nfs/dbraw/zinc/09/92/49/664099249.db2.gz IQFVMDYTRLDWQG-FHULIHMCSA-N 2 0 350.507 0.820 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCCC[N@H+]1CCO ZINC000892761390 664137696 /nfs/dbraw/zinc/13/76/96/664137696.db2.gz ZWDVSLBUQOQPBP-CVEARBPZSA-N 2 0 354.495 0.291 20 0 FCADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892865139 664150762 /nfs/dbraw/zinc/15/07/62/664150762.db2.gz GDSHLDNIVLUNES-WMLDXEAASA-N 2 0 367.515 0.891 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892881505 664152698 /nfs/dbraw/zinc/15/26/98/664152698.db2.gz XNIYQAFLFNFMIN-CYBMUJFWSA-N 2 0 368.503 0.853 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053352 664201981 /nfs/dbraw/zinc/20/19/81/664201981.db2.gz MJHHSDPIMHQWGX-IRXDYDNUSA-N 2 0 353.511 0.034 20 0 FCADRP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000893054035 664202053 /nfs/dbraw/zinc/20/20/53/664202053.db2.gz UDINOCFLGIBANA-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001026496544 664239183 /nfs/dbraw/zinc/23/91/83/664239183.db2.gz IZOCXFMXJJISFM-RDHHWEPZSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)CC1 ZINC000974597025 664267658 /nfs/dbraw/zinc/26/76/58/664267658.db2.gz PUDHXNOOPHRRPR-IKGGRYGDSA-N 2 0 353.507 0.552 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)[NH+](C)C ZINC000975780875 664349407 /nfs/dbraw/zinc/34/94/07/664349407.db2.gz BJUAYQIUIHXSAW-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976690558 664393992 /nfs/dbraw/zinc/39/39/92/664393992.db2.gz COEZUBOVTBADRL-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000979582823 664460736 /nfs/dbraw/zinc/46/07/36/664460736.db2.gz RBRDUVFBWKDMML-SMLCLMEVSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000979859749 664464151 /nfs/dbraw/zinc/46/41/51/664464151.db2.gz GPUPHQPUUNZWEV-BQJWPVKWSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001027893322 664472400 /nfs/dbraw/zinc/47/24/00/664472400.db2.gz SGHZRAJCTDKUOG-HRCADAONSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccns2)O1 ZINC001027966293 664479277 /nfs/dbraw/zinc/47/92/77/664479277.db2.gz NHZWBINYKJYKRS-IIAWOOMASA-N 2 0 352.504 0.985 20 0 FCADRP COc1ccc(S(=O)(=O)N2CC([NH2+]CC3CC[NH+](C)CC3)C2)cc1 ZINC000893625409 664485269 /nfs/dbraw/zinc/48/52/69/664485269.db2.gz FPFNHVGLSKFKNL-UHFFFAOYSA-N 2 0 353.488 1.000 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC000981200647 664817617 /nfs/dbraw/zinc/81/76/17/664817617.db2.gz XEPQZLJLWRURPB-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925823328 664844047 /nfs/dbraw/zinc/84/40/47/664844047.db2.gz QZHAAMCMOCOQCJ-BRWVUGGUSA-N 2 0 359.536 0.937 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001028551726 664902094 /nfs/dbraw/zinc/90/20/94/664902094.db2.gz WBEPLIPZUMNLLT-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925000561 664956277 /nfs/dbraw/zinc/95/62/77/664956277.db2.gz NZPXUAFZRLQZJE-HOTGVXAUSA-N 2 0 350.463 0.646 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC000983708723 664985268 /nfs/dbraw/zinc/98/52/68/664985268.db2.gz MUOUKIIBHIPXSM-ZHCJQAHYSA-N 2 0 350.507 0.727 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001029312621 665013255 /nfs/dbraw/zinc/01/32/55/665013255.db2.gz JQHFGMSKMSKZEJ-XDNAFOTISA-N 2 0 351.491 0.401 20 0 FCADRP C[NH+](C)CCCNC(=S)N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000007354034 665102231 /nfs/dbraw/zinc/10/22/31/665102231.db2.gz FZWQNUAXAPIURG-UHFFFAOYSA-N 2 0 374.624 0.256 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC)[NH+](C)C ZINC000985164996 665138185 /nfs/dbraw/zinc/13/81/85/665138185.db2.gz YQEIOMFCLVGQPJ-ARFHVFGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985439714 665167407 /nfs/dbraw/zinc/16/74/07/665167407.db2.gz DUOJLFPHZKCTBP-BBWFWOEESA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987464020 665255329 /nfs/dbraw/zinc/25/53/29/665255329.db2.gz MBHQTVLBARXDNU-IKGGRYGDSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987463992 665255339 /nfs/dbraw/zinc/25/53/39/665255339.db2.gz LULSCNPGHWXSRH-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000897505764 665296621 /nfs/dbraw/zinc/29/66/21/665296621.db2.gz PSLLMRHOPSOQFO-MRXNPFEDSA-N 2 0 353.511 0.762 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000988993855 665333629 /nfs/dbraw/zinc/33/36/29/665333629.db2.gz CXQJJHHZWNLXTQ-MWDXBVQZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338848 666020454 /nfs/dbraw/zinc/02/04/54/666020454.db2.gz AGJJXVNSQIKCMZ-IAGOWNOFSA-N 2 0 372.579 0.806 20 0 FCADRP C[NH+]1CCC(NC(=S)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000905556894 666028052 /nfs/dbraw/zinc/02/80/52/666028052.db2.gz ZLJDSCQPZHSSTC-KRWDZBQOSA-N 2 0 369.579 0.341 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000908002665 666173439 /nfs/dbraw/zinc/17/34/39/666173439.db2.gz TYIRWIKZXWIMQZ-UHFFFAOYSA-N 2 0 353.555 0.545 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908204021 666194408 /nfs/dbraw/zinc/19/44/08/666194408.db2.gz UDOWBSXPVYABTG-FOIPXRHGSA-N 2 0 351.491 0.545 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908239684 666196690 /nfs/dbraw/zinc/19/66/90/666196690.db2.gz LUVHEDNJQDJMNS-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000910985402 666301927 /nfs/dbraw/zinc/30/19/27/666301927.db2.gz XNRQVURGOQXGLC-ARFHVFGLSA-N 2 0 350.507 0.953 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccco1 ZINC000911004362 666304919 /nfs/dbraw/zinc/30/49/19/666304919.db2.gz YFURTMGHKNVHII-GJZGRUSLSA-N 2 0 350.463 0.976 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000911258940 666330572 /nfs/dbraw/zinc/33/05/72/666330572.db2.gz USFVNUSVIXJYAS-HNNXBMFYSA-N 2 0 350.438 0.571 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938607487 666473572 /nfs/dbraw/zinc/47/35/72/666473572.db2.gz IHJJLTOZZCMQFU-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000913178679 666509870 /nfs/dbraw/zinc/50/98/70/666509870.db2.gz AFSPEMNXQYGRMQ-FGTMMUONSA-N 2 0 352.523 0.580 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000940288556 666544575 /nfs/dbraw/zinc/54/45/75/666544575.db2.gz UQFJUMUHMDIVGJ-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC000941216029 666593518 /nfs/dbraw/zinc/59/35/18/666593518.db2.gz CLSPFKWMJVYLID-ZACQAIPSSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)CC[N@@H+]1C ZINC000941219945 666594162 /nfs/dbraw/zinc/59/41/62/666594162.db2.gz GBZPCEHNLBHWPL-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000992320455 666633325 /nfs/dbraw/zinc/63/33/25/666633325.db2.gz WQYIKLGGJSWXBV-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913683526 666641847 /nfs/dbraw/zinc/64/18/47/666641847.db2.gz GXHCXVHWNKYQPJ-OAHLLOKOSA-N 2 0 355.479 0.177 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](CCCCCO)CC2)CC1 ZINC000913695221 666644459 /nfs/dbraw/zinc/64/44/59/666644459.db2.gz WSDSWKSTHMREIE-UHFFFAOYSA-N 2 0 354.539 0.709 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731490733 666822725 /nfs/dbraw/zinc/82/27/25/666822725.db2.gz RTHCGTBJHUFLRI-MRXNPFEDSA-N 2 0 369.579 0.878 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419482197 674768832 /nfs/dbraw/zinc/76/88/32/674768832.db2.gz PYEBPIZHHJJGSU-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419482199 674768848 /nfs/dbraw/zinc/76/88/48/674768848.db2.gz PYEBPIZHHJJGSU-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996606460 666943243 /nfs/dbraw/zinc/94/32/43/666943243.db2.gz IWAZIMCTBDNVPJ-IIAWOOMASA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996608213 666944625 /nfs/dbraw/zinc/94/46/25/666944625.db2.gz RFZHFFCHVLGODV-BFYDXBDKSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC000996605032 666946326 /nfs/dbraw/zinc/94/63/26/666946326.db2.gz YBLWFAVRBQADNA-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916843092 667032947 /nfs/dbraw/zinc/03/29/47/667032947.db2.gz TVHTYJBJCUTVSV-GVDBMIGSSA-N 2 0 352.479 0.402 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916843091 667033071 /nfs/dbraw/zinc/03/30/71/667033071.db2.gz TVHTYJBJCUTVSV-BRWVUGGUSA-N 2 0 352.479 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC000997794268 667176444 /nfs/dbraw/zinc/17/64/44/667176444.db2.gz YTEXHQDBXDYWGE-YESZJQIVSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001002858887 667571846 /nfs/dbraw/zinc/57/18/46/667571846.db2.gz IKGRYFJAXYNPRN-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001002862303 667572943 /nfs/dbraw/zinc/57/29/43/667572943.db2.gz KXUZEPPRVBXIHL-RRQGHBQHSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001034215067 667749436 /nfs/dbraw/zinc/74/94/36/667749436.db2.gz VPFPVMWRJXTSLO-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP O=C(CN1CCOCC1)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923319991 667824336 /nfs/dbraw/zinc/82/43/36/667824336.db2.gz RVKGVEZCGKSKCW-AYHJJNSGSA-N 2 0 350.507 0.384 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=S)NCC3CC[NH+](C)CC3)C2)CC1 ZINC000760484431 667851092 /nfs/dbraw/zinc/85/10/92/667851092.db2.gz JTPHQXAMCPWRDC-MRXNPFEDSA-N 2 0 353.580 0.961 20 0 FCADRP C[NH+]1CCC(CNC(=S)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000760483415 667851279 /nfs/dbraw/zinc/85/12/79/667851279.db2.gz NUESNCKMFMKHJX-UHFFFAOYSA-N 2 0 367.563 0.443 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000741089877 668011452 /nfs/dbraw/zinc/01/14/52/668011452.db2.gz VFXSKKBGZJQSLD-INIZCTEOSA-N 2 0 354.495 0.386 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000788476091 668829880 /nfs/dbraw/zinc/82/98/80/668829880.db2.gz YEVRREAFNDVQCM-UHFFFAOYSA-N 2 0 352.504 0.798 20 0 FCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820810196 669131000 /nfs/dbraw/zinc/13/10/00/669131000.db2.gz RGHSPRFVLCWCJY-CYBMUJFWSA-N 2 0 353.488 0.938 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000828516706 669648885 /nfs/dbraw/zinc/64/88/85/669648885.db2.gz USPYAZIJHPAONZ-GOSISDBHSA-N 2 0 353.438 0.961 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CC1 ZINC000830355231 669776605 /nfs/dbraw/zinc/77/66/05/669776605.db2.gz DPFMCZXVCNNWLW-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644267 669860083 /nfs/dbraw/zinc/86/00/83/669860083.db2.gz RCKQFJGBNURRMT-HUUCEWRRSA-N 2 0 351.882 0.939 20 0 FCADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817962258 670051389 /nfs/dbraw/zinc/05/13/89/670051389.db2.gz KDRRKCKGJDVCCO-NEPJUHHUSA-N 2 0 363.505 0.658 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000818341212 670097729 /nfs/dbraw/zinc/09/77/29/670097729.db2.gz WYLDQHVFMNEWSB-OAHLLOKOSA-N 2 0 352.479 0.751 20 0 FCADRP CC(C)COC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000841006675 670531384 /nfs/dbraw/zinc/53/13/84/670531384.db2.gz HKELSDIEKHDMSO-INIZCTEOSA-N 2 0 354.495 0.984 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCCCC1 ZINC000841727111 670606790 /nfs/dbraw/zinc/60/67/90/670606790.db2.gz XHPPCCOPWBZNNE-ZIAGYGMSSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)([NH+](C)C)C1 ZINC000842034910 670629164 /nfs/dbraw/zinc/62/91/64/670629164.db2.gz DGNSDPIOOCJHML-AYOQOUSVSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)C2=O ZINC000842619122 670702938 /nfs/dbraw/zinc/70/29/38/670702938.db2.gz UHMGARYZSMYIOT-CABCVRRESA-N 2 0 350.463 0.851 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364213 670808028 /nfs/dbraw/zinc/80/80/28/670808028.db2.gz RVZWLOHBHGREDG-CYBMUJFWSA-N 2 0 366.487 0.737 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)NC(=O)N[C@@H]1C ZINC000843388677 670811399 /nfs/dbraw/zinc/81/13/99/670811399.db2.gz WEXBEKGZTNNTBP-MCIONIFRSA-N 2 0 350.463 0.826 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000968014601 675178165 /nfs/dbraw/zinc/17/81/65/675178165.db2.gz WXYXQDHXQDTPRG-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051253 671316241 /nfs/dbraw/zinc/31/62/41/671316241.db2.gz CSLIROYUTHFPTP-STQMWFEESA-N 2 0 351.417 0.848 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000849113162 671318642 /nfs/dbraw/zinc/31/86/42/671318642.db2.gz KGJPGTCNQISDAG-OAHLLOKOSA-N 2 0 355.483 0.568 20 0 FCADRP O=C(N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000852930674 671532793 /nfs/dbraw/zinc/53/27/93/671532793.db2.gz MFPPSLNZUSJBBR-DYVFJYSZSA-N 2 0 350.442 0.227 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000857334470 671725206 /nfs/dbraw/zinc/72/52/06/671725206.db2.gz AWKJQDXMNRDRPZ-MSOLQXFVSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC000903524820 675938376 /nfs/dbraw/zinc/93/83/76/675938376.db2.gz AANDQWXCPJZENC-DYVFJYSZSA-N 2 0 365.865 0.910 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2(NC(=O)C3CC[NH+](C)CC3)CCC2)CC1 ZINC000803656979 675954312 /nfs/dbraw/zinc/95/43/12/675954312.db2.gz CBKNDMWYTCQGTL-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756823 675968435 /nfs/dbraw/zinc/96/84/35/675968435.db2.gz WGXCLQSTQXMMDR-CVEARBPZSA-N 2 0 357.520 0.645 20 0 FCADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713424 675963051 /nfs/dbraw/zinc/96/30/51/675963051.db2.gz PWVILTDKTBBZPF-SJORKVTESA-N 3 0 350.507 0.289 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000861742341 671989585 /nfs/dbraw/zinc/98/95/85/671989585.db2.gz GVEMYLTULVMVNG-KGLIPLIRSA-N 2 0 352.504 0.882 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000861765179 671992920 /nfs/dbraw/zinc/99/29/20/671992920.db2.gz NEVJCFHMCUCNMS-AWEZNQCLSA-N 2 0 350.463 0.439 20 0 FCADRP CCN(CC)C(=O)CN1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733097 675965104 /nfs/dbraw/zinc/96/51/04/675965104.db2.gz JQLIACUGTIALHE-IEBWSBKVSA-N 2 0 352.523 0.631 20 0 FCADRP O=S(=O)(N1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000863553334 672137570 /nfs/dbraw/zinc/13/75/70/672137570.db2.gz ZPXQIDARXAKJKI-ZDUSSCGKSA-N 2 0 373.441 0.594 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000863764416 672151516 /nfs/dbraw/zinc/15/15/16/672151516.db2.gz UFMUOQHMYOOPBU-OAHLLOKOSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865449658 672243086 /nfs/dbraw/zinc/24/30/86/672243086.db2.gz YPXBVFPUGIVBGE-WMZOPIPTSA-N 2 0 350.511 0.820 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C(F)(F)C(=O)NCCC[NH+]1CCCC1 ZINC000865895399 672254588 /nfs/dbraw/zinc/25/45/88/672254588.db2.gz VLDMHZLHJZBOMO-UHFFFAOYSA-N 2 0 360.449 0.826 20 0 FCADRP O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)N1CC[NH2+]CC1 ZINC000923609920 672429773 /nfs/dbraw/zinc/42/97/73/672429773.db2.gz KOSZFRQFPPZQGC-UHFFFAOYSA-N 2 0 362.565 0.478 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)CSC)CC2)CC[N@@H+]1C ZINC001055583247 676025309 /nfs/dbraw/zinc/02/53/09/676025309.db2.gz FUTGWZUHHNTXSH-JKSUJKDBSA-N 2 0 370.563 0.777 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870953640 672522864 /nfs/dbraw/zinc/52/28/64/672522864.db2.gz HPJJIZBXIGQKIY-UHFFFAOYSA-N 2 0 367.519 0.702 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816498 672575380 /nfs/dbraw/zinc/57/53/80/672575380.db2.gz FTECMFWIIYTATG-GOEBONIOSA-N 2 0 355.508 0.624 20 0 FCADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923637176 672654910 /nfs/dbraw/zinc/65/49/10/672654910.db2.gz URQQIIVHPGIAMB-MSOLQXFVSA-N 2 0 366.531 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056549056 676047242 /nfs/dbraw/zinc/04/72/42/676047242.db2.gz VACYVTXKAMICFI-QBPKDAKJSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001001420748 676071483 /nfs/dbraw/zinc/07/14/83/676071483.db2.gz OSJBDDLFFFPJKY-GDBMZVCRSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001418894 676071577 /nfs/dbraw/zinc/07/15/77/676071577.db2.gz PCDPRXIGIYAOIH-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876846734 672982727 /nfs/dbraw/zinc/98/27/27/672982727.db2.gz FMLOOSOUCCPEES-CYBMUJFWSA-N 2 0 352.460 0.587 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877574686 673019940 /nfs/dbraw/zinc/01/99/40/673019940.db2.gz SLEJQZGRWIYQMI-UHFFFAOYSA-N 2 0 354.520 0.840 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC000879590548 673129549 /nfs/dbraw/zinc/12/95/49/673129549.db2.gz HAIXMAVSXMJQGH-UHFFFAOYSA-N 2 0 351.539 0.299 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000880129468 673174923 /nfs/dbraw/zinc/17/49/23/673174923.db2.gz JOLSJESDQSAUMT-KURKYZTESA-N 2 0 352.523 0.628 20 0 FCADRP COC(=O)C1(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CCC1 ZINC000882082835 673282795 /nfs/dbraw/zinc/28/27/95/673282795.db2.gz WATAYJQQRQBSLJ-UHFFFAOYSA-N 2 0 361.508 0.370 20 0 FCADRP COC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883228790 673369292 /nfs/dbraw/zinc/36/92/92/673369292.db2.gz UPERFIFDGCHZIN-ZWKOTPCHSA-N 2 0 355.523 0.814 20 0 FCADRP F[C@@H]1C[NH2+][C@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000883430723 673375218 /nfs/dbraw/zinc/37/52/18/673375218.db2.gz AXMZMVDPGONFLF-GJZGRUSLSA-N 2 0 350.442 0.135 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CCC23CCC3)C1 ZINC000883458822 673376908 /nfs/dbraw/zinc/37/69/08/673376908.db2.gz YCYLZPNZQPUKDI-KRWDZBQOSA-N 2 0 352.523 0.677 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000883645495 673388194 /nfs/dbraw/zinc/38/81/94/673388194.db2.gz MYRGGAFXUWNTGS-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000883647371 673388347 /nfs/dbraw/zinc/38/83/47/673388347.db2.gz SAUAMDCSTUXZEI-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883710667 673392327 /nfs/dbraw/zinc/39/23/27/673392327.db2.gz QNJIKVQZCGFERP-KRWDZBQOSA-N 2 0 354.495 0.651 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900751 673402132 /nfs/dbraw/zinc/40/21/32/673402132.db2.gz QBCCCZZTRXNYKY-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883899934 673402200 /nfs/dbraw/zinc/40/22/00/673402200.db2.gz AQSRONITCBXVKK-OAHLLOKOSA-N 2 0 351.495 0.596 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884286050 673444032 /nfs/dbraw/zinc/44/40/32/673444032.db2.gz WXAZKGRJZVHPRL-GJZGRUSLSA-N 2 0 367.291 0.955 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413255 673452090 /nfs/dbraw/zinc/45/20/90/673452090.db2.gz NPHHVVWIRZLMSU-HUUCEWRRSA-N 2 0 367.291 0.955 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884493796 673457248 /nfs/dbraw/zinc/45/72/48/673457248.db2.gz CJOBGTIGOYNNHC-ZACQAIPSSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555439 673461918 /nfs/dbraw/zinc/46/19/18/673461918.db2.gz RKFPPFUHDQTMIM-JQWIXIFHSA-N 2 0 363.487 0.085 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884601829 673465148 /nfs/dbraw/zinc/46/51/48/673465148.db2.gz WRYPOJWKIHEZMQ-MOKVOYLWSA-N 2 0 360.449 0.584 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000884607853 673465417 /nfs/dbraw/zinc/46/54/17/673465417.db2.gz GLMSLPKFXPVZAB-SRVKXCTJSA-N 2 0 366.428 0.675 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612108 673465930 /nfs/dbraw/zinc/46/59/30/673465930.db2.gz DLQSUUHTXDMKSI-CXAGYDPISA-N 2 0 356.536 0.434 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612110 673466003 /nfs/dbraw/zinc/46/60/03/673466003.db2.gz DLQSUUHTXDMKSI-GUYCJALGSA-N 2 0 356.536 0.434 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884616927 673466386 /nfs/dbraw/zinc/46/63/86/673466386.db2.gz FENKXIMUXJPGQV-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643116 673469304 /nfs/dbraw/zinc/46/93/04/673469304.db2.gz XOFLUVRQKSAIRP-RDTXWAMCSA-N 2 0 354.495 0.047 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000884680357 673471780 /nfs/dbraw/zinc/47/17/80/673471780.db2.gz NTKRVTREYRPVNP-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000884691289 673474104 /nfs/dbraw/zinc/47/41/04/673474104.db2.gz CNTXODGQJSEJIQ-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000884705746 673475015 /nfs/dbraw/zinc/47/50/15/673475015.db2.gz GTAXFKAXCBMGBT-KBPBESRZSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705840 673475317 /nfs/dbraw/zinc/47/53/17/673475317.db2.gz JHLKNKGCLAEACJ-VUULHSHRSA-N 2 0 354.495 0.595 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884720650 673476705 /nfs/dbraw/zinc/47/67/05/673476705.db2.gz RJBXKVKNTATXTA-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884786337 673482275 /nfs/dbraw/zinc/48/22/75/673482275.db2.gz OCTIWDCXWLFYAO-KGLIPLIRSA-N 2 0 360.449 0.584 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000884797421 673482916 /nfs/dbraw/zinc/48/29/16/673482916.db2.gz RVWDZBXWKFEYGW-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000884985898 673495916 /nfs/dbraw/zinc/49/59/16/673495916.db2.gz DGIMHJVQOPEPSD-PPSBMQLTSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000885007864 673497301 /nfs/dbraw/zinc/49/73/01/673497301.db2.gz LVFPYDIBXQSBST-UUAJXVIYSA-N 2 0 350.507 0.964 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000885008925 673497716 /nfs/dbraw/zinc/49/77/16/673497716.db2.gz UIFDKKUBVRKNHR-ZOFXXKQRSA-N 2 0 350.507 0.822 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885286108 673512245 /nfs/dbraw/zinc/51/22/45/673512245.db2.gz SBXKSYDXDUEWJX-CQSZACIVSA-N 2 0 362.465 0.928 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000887062929 673617155 /nfs/dbraw/zinc/61/71/55/673617155.db2.gz JQAXLBVXJMIRPK-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@H]1CC[NH2+]C1 ZINC000887068687 673618486 /nfs/dbraw/zinc/61/84/86/673618486.db2.gz QAFPPVDYVKRMOJ-HNNXBMFYSA-N 2 0 350.463 0.770 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887079160 673620446 /nfs/dbraw/zinc/62/04/46/673620446.db2.gz LJUXPEDUSLNHSJ-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[N@H+](CCN(C)C)CCn1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC000887423482 673630360 /nfs/dbraw/zinc/63/03/60/673630360.db2.gz YLXWOLLBCOGASO-UHFFFAOYSA-N 2 0 352.527 0.455 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000888027994 673664321 /nfs/dbraw/zinc/66/43/21/673664321.db2.gz OGNPHNTWPXPISZ-OAHLLOKOSA-N 2 0 353.511 0.870 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC23OCCO3)C[C@H]1C[NH+](C)C ZINC000889534590 673679578 /nfs/dbraw/zinc/67/95/78/673679578.db2.gz GCPIKHCWKVVFNJ-BZUAXINKSA-N 2 0 354.495 0.663 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924672475 673760892 /nfs/dbraw/zinc/76/08/92/673760892.db2.gz SZRXHKHNICFKSX-HZPDHXFCSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925042761 673774871 /nfs/dbraw/zinc/77/48/71/673774871.db2.gz VLASLCQIFRRUES-WBVHZDCISA-N 2 0 372.579 0.805 20 0 FCADRP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444020 673792501 /nfs/dbraw/zinc/79/25/01/673792501.db2.gz AYMFCLGLOLATQL-HOTGVXAUSA-N 2 0 350.463 0.646 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926351909 673825782 /nfs/dbraw/zinc/82/57/82/673825782.db2.gz LHWGBSHVVMTZNW-HOTGVXAUSA-N 2 0 354.495 0.143 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@H]1CCOC1 ZINC000927520322 673865199 /nfs/dbraw/zinc/86/51/99/673865199.db2.gz WNWXQPFHEDLJFT-IRXDYDNUSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633462 673871376 /nfs/dbraw/zinc/87/13/76/673871376.db2.gz BVLJUQMZQLMUJW-DJIMGWMZSA-N 2 0 354.495 0.336 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001007370007 675288199 /nfs/dbraw/zinc/28/81/99/675288199.db2.gz VPJGBSLZZYLGFF-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001011211181 675377427 /nfs/dbraw/zinc/37/74/27/675377427.db2.gz DNPTZUTUUOORDG-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020174741 675436575 /nfs/dbraw/zinc/43/65/75/675436575.db2.gz OVQINIXRLQCCAX-DGXTUMSLSA-N 2 0 357.520 0.388 20 0 FCADRP COCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001045672006 675656700 /nfs/dbraw/zinc/65/67/00/675656700.db2.gz KPUVMXAEXQZYBR-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900014635 675659224 /nfs/dbraw/zinc/65/92/24/675659224.db2.gz MZKMSWRPARUWQI-GOSISDBHSA-N 2 0 354.539 0.876 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CCO2)CC1 ZINC000900596262 675697886 /nfs/dbraw/zinc/69/78/86/675697886.db2.gz ACHOWJFMEYSGJZ-KZNAEPCWSA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602266 675698660 /nfs/dbraw/zinc/69/86/60/675698660.db2.gz PLYVXVIHMHFWCL-MSOLQXFVSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900802437 675717577 /nfs/dbraw/zinc/71/75/77/675717577.db2.gz FJEWKEJCHMBRQU-FCCDEINASA-N 2 0 352.523 0.628 20 0 FCADRP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000900805744 675718412 /nfs/dbraw/zinc/71/84/12/675718412.db2.gz QERVLAMKDXAPRT-IAGOWNOFSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384227 675795353 /nfs/dbraw/zinc/79/53/53/675795353.db2.gz NMJMSBRUGQWROC-OWSLCNJRSA-N 2 0 353.507 0.645 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528339 675859542 /nfs/dbraw/zinc/85/95/42/675859542.db2.gz UZLGWUQVBFQLAE-DBHDPKECSA-N 2 0 350.507 0.950 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897484892 1192185432 /nfs/dbraw/zinc/18/54/32/1192185432.db2.gz YAIRXIFHFJAAIO-RYRKJORJSA-N 2 0 371.485 0.862 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)C[N@H+]2CC[C@H](C)C2)C3)CC[NH+]1C ZINC000969123833 1167733442 /nfs/dbraw/zinc/73/34/42/1167733442.db2.gz ZDPQKHAXHSHXAK-IGKNDFSCSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)CCC1 ZINC000969220825 1167821471 /nfs/dbraw/zinc/82/14/71/1167821471.db2.gz CTNUPRXVOVULQV-CVEARBPZSA-N 2 0 371.441 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cncn2C)CC[N@@H+]1C ZINC000969427859 1167951113 /nfs/dbraw/zinc/95/11/13/1167951113.db2.gz HMSQZHSNSAOTDE-PNBKFKSVSA-N 2 0 359.474 0.505 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000969705708 1168067966 /nfs/dbraw/zinc/06/79/66/1168067966.db2.gz ATYFMPKARCKDED-VNQPRFMTSA-N 2 0 364.490 0.302 20 0 FCADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001020613431 1168160595 /nfs/dbraw/zinc/16/05/95/1168160595.db2.gz ZMAOJYXLFMGJKA-IEWDOMPSSA-N 2 0 370.497 0.799 20 0 FCADRP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2cncc(N4CC[NH2+]CC4)n2)C3)cc1 ZINC001167207628 1168448764 /nfs/dbraw/zinc/44/87/64/1168448764.db2.gz DZHZFLYUMPUKDA-XLIONFOSSA-N 2 0 350.470 0.864 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1)C(N)=O ZINC001211998331 1192312976 /nfs/dbraw/zinc/31/29/76/1192312976.db2.gz OABLKCSSQWUMGL-SMDDNHRTSA-N 2 0 374.445 0.048 20 0 FCADRP C[C@H]1OC(C)(C)N(C(=O)C[NH3+])[C@@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212034449 1192340648 /nfs/dbraw/zinc/34/06/48/1192340648.db2.gz WEIRFCIXGKCKEA-BMIGLBTASA-N 2 0 372.429 0.761 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000970638973 1169227501 /nfs/dbraw/zinc/22/75/01/1169227501.db2.gz WDAOLTOSMXBKJC-XHSDSOJGSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000970635173 1169232049 /nfs/dbraw/zinc/23/20/49/1169232049.db2.gz CGJRKRXSEUBFOE-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP COC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCCOC1 ZINC000891170776 1169437816 /nfs/dbraw/zinc/43/78/16/1169437816.db2.gz MUWYJJQJLPDSMJ-MLHJIOFPSA-N 2 0 370.538 0.809 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC001021703001 1169897759 /nfs/dbraw/zinc/89/77/59/1169897759.db2.gz VMLPHADRWJHSGL-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021707444 1169904373 /nfs/dbraw/zinc/90/43/73/1169904373.db2.gz LNQUTQVCSIRIDH-RCCFBDPRSA-N 2 0 360.502 0.483 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001104322466 1169959190 /nfs/dbraw/zinc/95/91/90/1169959190.db2.gz LUKOIBNMNBZZOE-ZACQAIPSSA-N 2 0 367.538 0.672 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891339457 1169962677 /nfs/dbraw/zinc/96/26/77/1169962677.db2.gz BBTVVSSIHBMAOV-QGZVFWFLSA-N 2 0 367.538 0.470 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356188 1170005822 /nfs/dbraw/zinc/00/58/22/1170005822.db2.gz RLYKNFWJUDRQFA-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891397893 1170344965 /nfs/dbraw/zinc/34/49/65/1170344965.db2.gz XIVJCKNEALBQRE-FPCVCCKLSA-N 2 0 365.478 0.437 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891446536 1170535121 /nfs/dbraw/zinc/53/51/21/1170535121.db2.gz OGGHEGONQBFQDV-QFBILLFUSA-N 2 0 358.490 0.584 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000971571927 1170553693 /nfs/dbraw/zinc/55/36/93/1170553693.db2.gz XEWNYXTZGBFOBU-KZNAEPCWSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@@H+]1C1CC1 ZINC000891662499 1170801609 /nfs/dbraw/zinc/80/16/09/1170801609.db2.gz YCNWPNVGMDQGGF-DEDQRHPVSA-N 2 0 363.462 0.188 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001087167798 1170808625 /nfs/dbraw/zinc/80/86/25/1170808625.db2.gz BRCJSOINRMGFFS-APIJFGDWSA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000891714380 1170833150 /nfs/dbraw/zinc/83/31/50/1170833150.db2.gz OSMNUQNOQCTSDL-MRXNPFEDSA-N 2 0 360.506 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001691146909 1170841320 /nfs/dbraw/zinc/84/13/20/1170841320.db2.gz FZPRGUGPJBLWPF-MUIFIZLQSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001691258596 1170926951 /nfs/dbraw/zinc/92/69/51/1170926951.db2.gz HFCXUADYROHHQZ-JKSUJKDBSA-N 2 0 361.490 0.962 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001691258908 1170931754 /nfs/dbraw/zinc/93/17/54/1170931754.db2.gz RPCIHLRJOJULSI-LSDHHAIUSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855621 1170983711 /nfs/dbraw/zinc/98/37/11/1170983711.db2.gz LGHUULIYFFKPRN-IAGOWNOFSA-N 2 0 368.522 0.945 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001691271225 1171005120 /nfs/dbraw/zinc/00/51/20/1171005120.db2.gz AQZJRQDXCNEOFM-LSDHHAIUSA-N 2 0 362.478 0.630 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440306 1171035705 /nfs/dbraw/zinc/03/57/05/1171035705.db2.gz KEYVGTDBZUAWGA-WIYYLYMNSA-N 2 0 374.529 0.766 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1)OC ZINC001691286532 1171039870 /nfs/dbraw/zinc/03/98/70/1171039870.db2.gz XOIZKBVZJPSEGU-FGTMMUONSA-N 2 0 363.506 0.825 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691347367 1171164822 /nfs/dbraw/zinc/16/48/22/1171164822.db2.gz IDXVASDXADNJSJ-ILXRZTDVSA-N 2 0 367.494 0.143 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCOCCO)CC[N@@H+]1C ZINC001691356067 1171193470 /nfs/dbraw/zinc/19/34/70/1171193470.db2.gz GPAJOAIQDBVLQM-VSZNYVQBSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001691367477 1171213015 /nfs/dbraw/zinc/21/30/15/1171213015.db2.gz NTCUZNWNBOULDE-KGLIPLIRSA-N 2 0 352.483 0.167 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953765 1171219534 /nfs/dbraw/zinc/21/95/34/1171219534.db2.gz AURVWUIRFSTVGG-JONQDZQNSA-N 2 0 365.478 0.295 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891971374 1171362994 /nfs/dbraw/zinc/36/29/94/1171362994.db2.gz URMCYQFXJCYKND-UHFFFAOYSA-N 2 0 365.522 0.858 20 0 FCADRP COCCC1(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC000892132302 1171621605 /nfs/dbraw/zinc/62/16/05/1171621605.db2.gz FALLWXVOIKJMLI-UHFFFAOYSA-N 2 0 367.538 0.661 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892163309 1171666980 /nfs/dbraw/zinc/66/69/80/1171666980.db2.gz NAVLVUCPZBBNSM-MSOLQXFVSA-N 2 0 367.538 0.614 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022719751 1171811241 /nfs/dbraw/zinc/81/12/41/1171811241.db2.gz BHOZCYMLENRYMP-BPQIPLTHSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000972252520 1171886591 /nfs/dbraw/zinc/88/65/91/1171886591.db2.gz GQKNJNIXIHMRNS-KZNAEPCWSA-N 2 0 360.502 0.483 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972312849 1171956806 /nfs/dbraw/zinc/95/68/06/1171956806.db2.gz KTMGRTLIGYSHMU-FGTMMUONSA-N 2 0 360.502 0.483 20 0 FCADRP O=C(N1CCO[C@@H]2CN(Cc3ccc(CO)cc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249506 1172023313 /nfs/dbraw/zinc/02/33/13/1172023313.db2.gz IHDCWRWXRFNCGV-RBUKOAKNSA-N 2 0 371.481 0.686 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557236 1172067649 /nfs/dbraw/zinc/06/76/49/1172067649.db2.gz INDLWBQOTHSFDW-KSZLIROESA-N 2 0 358.486 0.801 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000989050347 1192646864 /nfs/dbraw/zinc/64/68/64/1192646864.db2.gz WFHFXJDLLJVSHH-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000989054093 1192663687 /nfs/dbraw/zinc/66/36/87/1192663687.db2.gz MDLLNHUTKVOXLM-WBVHZDCISA-N 2 0 361.490 0.944 20 0 FCADRP CN1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(C)C ZINC000897669095 1192840462 /nfs/dbraw/zinc/84/04/62/1192840462.db2.gz NZSWIYAJKYOVPC-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000898165349 1192861821 /nfs/dbraw/zinc/86/18/21/1192861821.db2.gz GOISQTDTKVWHOS-MLHJIOFPSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CCOCCO)CC[C@@H]2C1 ZINC001691558136 1192875673 /nfs/dbraw/zinc/87/56/73/1192875673.db2.gz RLEVWHVAHBUBLK-FGTMMUONSA-N 2 0 353.507 0.650 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001691579065 1192891867 /nfs/dbraw/zinc/89/18/67/1192891867.db2.gz XUACRBQEOSXZQH-CVEARBPZSA-N 2 0 351.495 0.134 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087236705 1179070594 /nfs/dbraw/zinc/07/05/94/1179070594.db2.gz ICRDTUMDISUWGA-ILXRZTDVSA-N 2 0 362.474 0.104 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516704 1179731955 /nfs/dbraw/zinc/73/19/55/1179731955.db2.gz XAQGACCKYIXUPW-CBNQQXHVSA-N 2 0 367.534 0.942 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000659073616 1180051458 /nfs/dbraw/zinc/05/14/58/1180051458.db2.gz BIANKFJKURDOAA-IRXDYDNUSA-N 2 0 368.522 0.545 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001023706037 1180130743 /nfs/dbraw/zinc/13/07/43/1180130743.db2.gz HJDVTJQUWNMUDK-BRWVUGGUSA-N 2 0 366.506 0.031 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CC1 ZINC000972649985 1180188791 /nfs/dbraw/zinc/18/87/91/1180188791.db2.gz WNTXBZVSHSRCLP-KZNAEPCWSA-N 2 0 362.518 0.728 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)[NH+](C)C ZINC001023844090 1180392830 /nfs/dbraw/zinc/39/28/30/1180392830.db2.gz WBICKFOBAQDCOF-BZUAXINKSA-N 2 0 368.522 0.279 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001112518098 1180674845 /nfs/dbraw/zinc/67/48/45/1180674845.db2.gz RBVVIHHYXQEEJQ-KXBFYZLASA-N 2 0 362.474 0.919 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023993807 1180730203 /nfs/dbraw/zinc/73/02/03/1180730203.db2.gz QIHODQAGWGLODR-OWCLPIDISA-N 2 0 363.510 0.752 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000892456232 1181052058 /nfs/dbraw/zinc/05/20/58/1181052058.db2.gz WXHHFLXBIMGWEI-UYFTZEKXSA-N 2 0 363.506 0.642 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001024446989 1181180234 /nfs/dbraw/zinc/18/02/34/1181180234.db2.gz NNMQLUMQNPWINE-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1ccccc1 ZINC001211632459 1181289548 /nfs/dbraw/zinc/28/95/48/1181289548.db2.gz DHNMRNFZNQMCKF-ZWKOTPCHSA-N 2 0 369.469 0.912 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CCC1 ZINC001024649884 1181436496 /nfs/dbraw/zinc/43/64/96/1181436496.db2.gz FTFMUOIGMPRFKI-HZPDHXFCSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CCC1 ZINC001025001469 1181845671 /nfs/dbraw/zinc/84/56/71/1181845671.db2.gz QRYGXULSDWGDQI-HUUCEWRRSA-N 2 0 366.506 0.033 20 0 FCADRP O=C(CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC[NH+]1CCCCCC1 ZINC000892589038 1181897289 /nfs/dbraw/zinc/89/72/89/1181897289.db2.gz JZSGSQQFJYOVBQ-BJWYYQGGSA-N 2 0 365.522 0.808 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599896 1182268367 /nfs/dbraw/zinc/26/83/67/1182268367.db2.gz JKMZXFPYGCOKMP-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892685593 1182277246 /nfs/dbraw/zinc/27/72/46/1182277246.db2.gz ALTUVSSKWARCSB-ZWKOTPCHSA-N 2 0 368.522 0.728 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000311405936 1182301990 /nfs/dbraw/zinc/30/19/90/1182301990.db2.gz WKTKNUFLUCMTHF-HXUWFJFHSA-N 2 0 358.486 0.837 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1nnnn1C ZINC001104623891 1182302313 /nfs/dbraw/zinc/30/23/13/1182302313.db2.gz JCQNHGOSEWOZDA-IJEWVQPXSA-N 2 0 363.510 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001104625561 1182302492 /nfs/dbraw/zinc/30/24/92/1182302492.db2.gz SEIDSFFAKAYLIF-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC[N@@H+]1C ZINC001025795042 1182847200 /nfs/dbraw/zinc/84/72/00/1182847200.db2.gz LUMASRFHASJGHW-SQZHQNNWSA-N 2 0 362.518 0.679 20 0 FCADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231969 1182929289 /nfs/dbraw/zinc/92/92/89/1182929289.db2.gz STSCGTKTWNZEJP-QJPTWQEYSA-N 2 0 352.401 0.442 20 0 FCADRP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001104908230 1182990493 /nfs/dbraw/zinc/99/04/93/1182990493.db2.gz OBSUKNUJEZKAHN-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104908804 1182990999 /nfs/dbraw/zinc/99/09/99/1182990999.db2.gz LLOVFDXULPBEFZ-BRWVUGGUSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104909044 1182992277 /nfs/dbraw/zinc/99/22/77/1182992277.db2.gz UUQJHBRQOGEQNM-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104939565 1183012146 /nfs/dbraw/zinc/01/21/46/1183012146.db2.gz XASPFHUBGKHIFP-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]CCN3CCCC3=O)CC2)O1 ZINC001026514853 1183146002 /nfs/dbraw/zinc/14/60/02/1183146002.db2.gz UGLSECWDUAVQGW-RDHHWEPZSA-N 2 0 366.506 0.345 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974589207 1183355827 /nfs/dbraw/zinc/35/58/27/1183355827.db2.gz DONXPXFESOPZGE-IXDOHACOSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC000974584475 1183363313 /nfs/dbraw/zinc/36/33/13/1183363313.db2.gz QAULKGUOLPQLDF-ZACQAIPSSA-N 2 0 360.502 0.482 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CCC1 ZINC000974585376 1183364493 /nfs/dbraw/zinc/36/44/93/1183364493.db2.gz XTXHZFYKVZBPEC-HZPDHXFCSA-N 2 0 360.502 0.626 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000974592205 1183370571 /nfs/dbraw/zinc/37/05/71/1183370571.db2.gz SRGISSFMTJLLLU-CRAIPNDOSA-N 2 0 371.485 0.916 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001026852171 1183413099 /nfs/dbraw/zinc/41/30/99/1183413099.db2.gz LRHADRDPHNXBPZ-OWCLPIDISA-N 2 0 360.506 0.893 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001026855734 1183424920 /nfs/dbraw/zinc/42/49/20/1183424920.db2.gz MMKSYRLBEVIPPI-CWRNSKLLSA-N 2 0 361.494 0.676 20 0 FCADRP COc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001026916386 1183490489 /nfs/dbraw/zinc/49/04/89/1183490489.db2.gz HBDJNKADMAFMGM-BFYDXBDKSA-N 2 0 362.474 0.747 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000978753641 1186001006 /nfs/dbraw/zinc/00/10/06/1186001006.db2.gz GCKCVNNWWBWYDB-DZVNLGKHSA-N 2 0 356.470 0.111 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000980052534 1186168548 /nfs/dbraw/zinc/16/85/48/1186168548.db2.gz OLJOAYCCRWREBY-QBPKDAKJSA-N 2 0 362.518 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(Cc2cn(C)nn2)C3)CC[N@@H+]1C ZINC000981778553 1186519110 /nfs/dbraw/zinc/51/91/10/1186519110.db2.gz MVUOYJKVHFBCKR-DLBZAZTESA-N 2 0 360.506 0.970 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784980 1186520727 /nfs/dbraw/zinc/52/07/27/1186520727.db2.gz YXSRMPFWORENHF-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000981783705 1186523499 /nfs/dbraw/zinc/52/34/99/1186523499.db2.gz CTLBOTXMCUMUGL-DOTOQJQBSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001211720975 1187466766 /nfs/dbraw/zinc/46/67/66/1187466766.db2.gz UQWLBFVEVXEUAF-GBESFXJTSA-N 2 0 361.486 0.531 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cn1 ZINC000893871302 1187519700 /nfs/dbraw/zinc/51/97/00/1187519700.db2.gz JJKVTRLNZOXNGK-HOTGVXAUSA-N 2 0 359.474 0.730 20 0 FCADRP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643760 1187567137 /nfs/dbraw/zinc/56/71/37/1187567137.db2.gz KFFAKTTUPZDZOL-UHOSZYNNSA-N 2 0 359.470 0.929 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3cncc3C)C2)CC[N@@H+]1C ZINC000982994575 1187810083 /nfs/dbraw/zinc/81/00/83/1187810083.db2.gz OTHZNENCQJWVLV-YESZJQIVSA-N 2 0 361.490 0.887 20 0 FCADRP Cc1cc(C[NH2+][C@@]23CC[C@@](NC(=O)CN(C)C(N)=[NH2+])(C2)CCC3)n(C)n1 ZINC001269991901 1187961558 /nfs/dbraw/zinc/96/15/58/1187961558.db2.gz COBOTNONDHFSFW-ZWKOTPCHSA-N 2 0 361.494 0.605 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001270062007 1187986486 /nfs/dbraw/zinc/98/64/86/1187986486.db2.gz URRRCTHBHMLUDW-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001270095901 1188004880 /nfs/dbraw/zinc/00/48/80/1188004880.db2.gz PGZHDQQPIGJATP-LVFSCSRESA-N 2 0 362.518 0.824 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]12CC(=O)N(CCn1ccnc1)C2 ZINC001270155753 1188033291 /nfs/dbraw/zinc/03/32/91/1188033291.db2.gz RNLGMRICHGQDNF-LPHOPBHVSA-N 2 0 359.474 0.961 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]12CC(=O)N(CCn1ccnc1)C2 ZINC001270155754 1188033416 /nfs/dbraw/zinc/03/34/16/1188033416.db2.gz RNLGMRICHGQDNF-QFBILLFUSA-N 2 0 359.474 0.961 20 0 FCADRP Cn1cncc1CN1CC[C@@]2(CCCN2C(=O)[C@H]2CCC[N@H+](C)C2)C1=O ZINC001270333788 1188098508 /nfs/dbraw/zinc/09/85/08/1188098508.db2.gz WBLHSSWCWOTMNQ-KXBFYZLASA-N 2 0 359.474 0.855 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@]23CC(=O)N(CCn2ccnc2)C3)C1 ZINC001270488737 1188171780 /nfs/dbraw/zinc/17/17/80/1188171780.db2.gz DJHPKTFRYONEHI-LPHOPBHVSA-N 2 0 359.474 0.818 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@H]1CCC[NH+](C)C1)C2 ZINC000894788558 1188250627 /nfs/dbraw/zinc/25/06/27/1188250627.db2.gz SNWXZNYBPQWPJS-HMQMGEFJSA-N 2 0 365.522 0.806 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111883 1188293853 /nfs/dbraw/zinc/29/38/53/1188293853.db2.gz QUNVETMAAGUDHO-IIDMSEBBSA-N 2 0 363.506 0.856 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1=O ZINC001270845322 1188334303 /nfs/dbraw/zinc/33/43/03/1188334303.db2.gz YFYTXAGBUGWFNC-IBGZPJMESA-N 2 0 355.442 0.961 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001270878818 1188394004 /nfs/dbraw/zinc/39/40/04/1188394004.db2.gz CKEAQGPNEURSHB-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000550493268 1189704002 /nfs/dbraw/zinc/70/40/02/1189704002.db2.gz BRDBMXXBIVVWSV-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001087750189 1189811499 /nfs/dbraw/zinc/81/14/99/1189811499.db2.gz XJBFNWJRSBLLBB-DLBZAZTESA-N 2 0 365.522 0.713 20 0 FCADRP CN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000895333969 1189836002 /nfs/dbraw/zinc/83/60/02/1189836002.db2.gz MZBBDQDPHDIXIQ-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550552021 1189837110 /nfs/dbraw/zinc/83/71/10/1189837110.db2.gz XRQQSJBJUHIMRT-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001691523289 1189847459 /nfs/dbraw/zinc/84/74/59/1189847459.db2.gz BYLOZXSYSADGJZ-DDBAPUKQSA-N 2 0 358.486 0.562 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)C3C[NH+](C4CCOCC4)C3)cn2)CC1 ZINC000895564331 1189866052 /nfs/dbraw/zinc/86/60/52/1189866052.db2.gz TZSZENICTLSZRL-UHFFFAOYSA-N 2 0 373.501 0.560 20 0 FCADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967254 1190023744 /nfs/dbraw/zinc/02/37/44/1190023744.db2.gz PKGFLWMEKDZBIL-ZACQAIPSSA-N 2 0 362.518 0.907 20 0 FCADRP CN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000896468581 1190064130 /nfs/dbraw/zinc/06/41/30/1190064130.db2.gz QABZAXPMKVCSFS-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP CN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000896468579 1190064490 /nfs/dbraw/zinc/06/44/90/1190064490.db2.gz QABZAXPMKVCSFS-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992810 1190143978 /nfs/dbraw/zinc/14/39/78/1190143978.db2.gz NRISTQRRJKHMNR-OAGGEKHMSA-N 2 0 362.518 0.918 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1)C1CC1 ZINC001087995010 1190147744 /nfs/dbraw/zinc/14/77/44/1190147744.db2.gz NYGMQUYOEKCCAA-CVEARBPZSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088002509 1190184294 /nfs/dbraw/zinc/18/42/94/1190184294.db2.gz JHOSAKIMNOTOJX-AOIWGVFYSA-N 2 0 364.534 0.975 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014164 1190216438 /nfs/dbraw/zinc/21/64/38/1190216438.db2.gz IOACXNYSJARNGS-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1)C1CC1 ZINC001088014496 1190216511 /nfs/dbraw/zinc/21/65/11/1190216511.db2.gz XCZREMIDXVDPPZ-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001271216710 1190361234 /nfs/dbraw/zinc/36/12/34/1190361234.db2.gz DPRCDJQSHLGHDP-KRWDZBQOSA-N 2 0 362.518 0.777 20 0 FCADRP CO[C@H](CN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001271288883 1190386504 /nfs/dbraw/zinc/38/65/04/1190386504.db2.gz ABOGEWVRGUDNMH-KBAYOESNSA-N 2 0 361.486 0.877 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083979 1190478095 /nfs/dbraw/zinc/47/80/95/1190478095.db2.gz RHVBXXTZZCUXMP-VNQPRFMTSA-N 2 0 362.474 0.999 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001088115951 1190609530 /nfs/dbraw/zinc/60/95/30/1190609530.db2.gz XMCUDDINOOZUOI-HCXYKTFWSA-N 2 0 370.497 0.597 20 0 FCADRP COC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136054 1190642239 /nfs/dbraw/zinc/64/22/39/1190642239.db2.gz SSFJLLCPHDIXQD-NUJGCVRESA-N 2 0 363.506 0.874 20 0 FCADRP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896989510 1190668613 /nfs/dbraw/zinc/66/86/13/1190668613.db2.gz UJSKPCDIPLDSQI-IBGZPJMESA-N 2 0 364.534 0.724 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986138266 1190903883 /nfs/dbraw/zinc/90/38/83/1190903883.db2.gz VLXWPYXHWOSPRS-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986138935 1190904301 /nfs/dbraw/zinc/90/43/01/1190904301.db2.gz ZYEYUFWMHKMEHA-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)CCC1 ZINC000986260620 1190936206 /nfs/dbraw/zinc/93/62/06/1190936206.db2.gz UIKDPJIKCROACW-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)[NH+](C)C ZINC000986262939 1190938244 /nfs/dbraw/zinc/93/82/44/1190938244.db2.gz RQPHXJVCALXZQZ-AOIWGVFYSA-N 2 0 364.534 0.975 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000986334776 1190958874 /nfs/dbraw/zinc/95/88/74/1190958874.db2.gz ZASDLCWYFHMHOP-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)N1CCC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000729611302 1191189540 /nfs/dbraw/zinc/18/95/40/1191189540.db2.gz OAMNFFYNUMHWQP-HNNXBMFYSA-N 2 0 369.510 0.885 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089246 1224139743 /nfs/dbraw/zinc/13/97/43/1224139743.db2.gz ILFFPVKSVXWGDI-ZMZPIMSZSA-N 2 0 364.446 0.672 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(CC(=O)N(CC)C3CC3)C[C@@H]21)[NH+](C)C ZINC001218161977 1224143681 /nfs/dbraw/zinc/14/36/81/1224143681.db2.gz JZOODXWTCQZHTF-IXDOHACOSA-N 2 0 366.506 0.249 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001218182167 1224146234 /nfs/dbraw/zinc/14/62/34/1224146234.db2.gz WIWWCTSVNWXTAV-ZSBIGDGJSA-N 2 0 364.446 0.765 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204504 1224147247 /nfs/dbraw/zinc/14/72/47/1224147247.db2.gz AGLHHQDHPYIEDF-RYQLBKOJSA-N 2 0 362.474 0.854 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204481 1224147301 /nfs/dbraw/zinc/14/73/01/1224147301.db2.gz ADYMMFDTSWGQNK-BPQIPLTHSA-N 2 0 362.474 0.854 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C[NH2+][C@H]2C)cc1)C(N)=O ZINC001218388961 1224157709 /nfs/dbraw/zinc/15/77/09/1224157709.db2.gz WCNYJPAXGBJOAS-STECZYCISA-N 2 0 362.474 0.312 20 0 FCADRP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001276786902 1224162865 /nfs/dbraw/zinc/16/28/65/1224162865.db2.gz RQPSULJKUYHILI-GOOCMWNKSA-N 2 0 359.474 0.961 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000550709030 1193739042 /nfs/dbraw/zinc/73/90/42/1193739042.db2.gz ZOIQEYZDUMVSNN-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691589401 1193756434 /nfs/dbraw/zinc/75/64/34/1193756434.db2.gz OHBMZJJKZYUSPH-YYIAUSFCSA-N 2 0 367.538 0.909 20 0 FCADRP Cn1nc2c(c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CCC2 ZINC001218528240 1224168882 /nfs/dbraw/zinc/16/88/82/1224168882.db2.gz ORBPZAPQWOYLKT-ZFWWWQNUSA-N 2 0 362.478 0.295 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000551043334 1193830271 /nfs/dbraw/zinc/83/02/71/1193830271.db2.gz VFNPTOQTTQIDKZ-IRXDYDNUSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551135281 1193834789 /nfs/dbraw/zinc/83/47/89/1193834789.db2.gz BZXPVMHTDWKZLK-YESZJQIVSA-N 2 0 366.506 0.299 20 0 FCADRP O=C([C@@H]1CCc2nccn2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075965836 1193884966 /nfs/dbraw/zinc/88/49/66/1193884966.db2.gz FTFFFJCTEQGRSR-ARFHVFGLSA-N 2 0 355.446 0.270 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CCOC1CCC1 ZINC001088757253 1193892406 /nfs/dbraw/zinc/89/24/06/1193892406.db2.gz PSKINMBUFFXMMZ-ADVWOHTOSA-N 2 0 363.502 0.998 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552470666 1193933004 /nfs/dbraw/zinc/93/30/04/1193933004.db2.gz BLUPHGBJFFIWLP-INIZCTEOSA-N 2 0 366.506 0.345 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001075995059 1193953030 /nfs/dbraw/zinc/95/30/30/1193953030.db2.gz WLGXBBMKJCIEPB-USXIJHARSA-N 2 0 353.426 0.711 20 0 FCADRP CCOCCN(CC)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552865031 1193956361 /nfs/dbraw/zinc/95/63/61/1193956361.db2.gz YNGCIJRJOOCXTK-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000552884083 1193956390 /nfs/dbraw/zinc/95/63/90/1193956390.db2.gz YHSYSDAYHYIIGB-UHFFFAOYSA-N 2 0 356.430 0.360 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553685650 1194015188 /nfs/dbraw/zinc/01/51/88/1194015188.db2.gz ZGVXYDXFJJFJHG-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734984 1194018551 /nfs/dbraw/zinc/01/85/51/1194018551.db2.gz NRZBMFBVWXRRSP-IRXDYDNUSA-N 2 0 366.506 0.014 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001218639806 1224188502 /nfs/dbraw/zinc/18/85/02/1224188502.db2.gz DEQDSQNZOYCVBT-KSSFIOAISA-N 2 0 352.398 0.075 20 0 FCADRP C[NH+]1CC(C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)C1 ZINC001142594769 1194081739 /nfs/dbraw/zinc/08/17/39/1194081739.db2.gz YBFXNTOMGGVTMU-UHFFFAOYSA-N 2 0 366.469 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191502 1194086224 /nfs/dbraw/zinc/08/62/24/1194086224.db2.gz YUJTXLMZEPNEAC-UZLBHIALSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]Cc1cncc(NC(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)c1 ZINC001218705987 1224200184 /nfs/dbraw/zinc/20/01/84/1224200184.db2.gz LHRVWFGJPDEBPB-HNNXBMFYSA-N 2 0 353.386 0.496 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)cn2)CC1 ZINC001218724781 1224206180 /nfs/dbraw/zinc/20/61/80/1224206180.db2.gz LBFQCVGNKVAMFE-HNNXBMFYSA-N 2 0 372.473 0.063 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076086030 1194299078 /nfs/dbraw/zinc/29/90/78/1194299078.db2.gz LYFWAOBODPXZLM-KSZLIROESA-N 2 0 358.490 0.685 20 0 FCADRP COc1cccc(Cn2nccc2NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218734209 1224207161 /nfs/dbraw/zinc/20/71/61/1224207161.db2.gz GAIHAOKOUGQBGJ-QGZVFWFLSA-N 2 0 372.473 0.629 20 0 FCADRP CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001218732821 1224207183 /nfs/dbraw/zinc/20/71/83/1224207183.db2.gz BBQYOXTTZNVQTG-INIZCTEOSA-N 2 0 374.489 0.879 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001691626838 1194323124 /nfs/dbraw/zinc/32/31/24/1194323124.db2.gz PVRPKLUYPPJQFZ-HLLBOEOZSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076147660 1194330452 /nfs/dbraw/zinc/33/04/52/1194330452.db2.gz PTRDEQJOVIAMLD-HRCADAONSA-N 2 0 362.474 0.152 20 0 FCADRP Cc1cnn(Cc2ccccn2)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218741736 1224209227 /nfs/dbraw/zinc/20/92/27/1224209227.db2.gz QHYFCQGWJMSEPW-MRXNPFEDSA-N 2 0 357.462 0.324 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076203907 1194352899 /nfs/dbraw/zinc/35/28/99/1194352899.db2.gz JEEHWTGDYGLCIN-RCCFBDPRSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001076206144 1194353625 /nfs/dbraw/zinc/35/36/25/1194353625.db2.gz ASBPCLZNSYGWSW-YESZJQIVSA-N 2 0 358.490 0.640 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)cn1 ZINC001076344871 1194406494 /nfs/dbraw/zinc/40/64/94/1194406494.db2.gz CYVZJKFJMBUHSU-FUHWJXTLSA-N 2 0 371.489 0.488 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076399099 1194456228 /nfs/dbraw/zinc/45/62/28/1194456228.db2.gz WDGFPRPJOZSRFM-ARFHVFGLSA-N 2 0 362.474 0.056 20 0 FCADRP CCOCCN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795223 1224220198 /nfs/dbraw/zinc/22/01/98/1224220198.db2.gz XXBPDUQDKSSYFT-BEFAXECRSA-N 2 0 369.506 0.613 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467589 1194502697 /nfs/dbraw/zinc/50/26/97/1194502697.db2.gz NRUSXWYDDXFOCR-IXDOHACOSA-N 2 0 360.502 0.531 20 0 FCADRP Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467581 1194503208 /nfs/dbraw/zinc/50/32/08/1194503208.db2.gz NMWCICDWAFATTI-JKSUJKDBSA-N 2 0 359.474 0.939 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001218804337 1224225970 /nfs/dbraw/zinc/22/59/70/1224225970.db2.gz WMPKGXLSDWXQHM-DLBZAZTESA-N 2 0 362.474 0.139 20 0 FCADRP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001691630212 1194588199 /nfs/dbraw/zinc/58/81/99/1194588199.db2.gz JNOPADKNVSAAMK-QWHCGFSZSA-N 2 0 355.483 0.034 20 0 FCADRP Cn1[nH]c(CN2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)nc1=O ZINC001076605544 1194593535 /nfs/dbraw/zinc/59/35/35/1194593535.db2.gz FUUJSVTZZQFVSP-LSDHHAIUSA-N 2 0 362.478 0.017 20 0 FCADRP O=C(Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218830703 1224233541 /nfs/dbraw/zinc/23/35/41/1224233541.db2.gz KJONAXGEQRLFFF-GFCCVEGCSA-N 2 0 368.359 0.886 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844692 1224238460 /nfs/dbraw/zinc/23/84/60/1224238460.db2.gz JIHSSANIAPGTIX-ZWKOTPCHSA-N 2 0 369.506 0.434 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001218861357 1224242373 /nfs/dbraw/zinc/24/23/73/1224242373.db2.gz KUUYPOVQQOJDHY-AUUYWEPGSA-N 3 0 361.465 0.715 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001218879339 1224244909 /nfs/dbraw/zinc/24/49/09/1224244909.db2.gz ALLSHPSZENCDMU-INIZCTEOSA-N 2 0 372.469 0.687 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1n[nH]c2c1C[NH2+]CC2 ZINC001218882809 1224248300 /nfs/dbraw/zinc/24/83/00/1224248300.db2.gz WHCKQDYKQDYITL-UHFFFAOYSA-N 2 0 354.414 0.353 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001218880015 1224245969 /nfs/dbraw/zinc/24/59/69/1224245969.db2.gz QIOWKWJHRKQKCJ-SFHVURJKSA-N 2 0 357.414 0.179 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218879955 1224246271 /nfs/dbraw/zinc/24/62/71/1224246271.db2.gz NJWJLKUMOXALAP-QGZVFWFLSA-N 3 0 371.485 0.545 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919650 1224259170 /nfs/dbraw/zinc/25/91/70/1224259170.db2.gz XKHYWWHFGZOWST-IXDOHACOSA-N 2 0 366.506 0.249 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218919607 1224260490 /nfs/dbraw/zinc/26/04/90/1224260490.db2.gz VIHCRNCBZMKGEV-OKZBNKHCSA-N 2 0 369.506 0.435 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)n1 ZINC001077014333 1195148761 /nfs/dbraw/zinc/14/87/61/1195148761.db2.gz QEXWADFGUOWPDV-IAGOWNOFSA-N 2 0 363.506 0.656 20 0 FCADRP CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)CNCC[NH3+])c2)CC1 ZINC001218961872 1224273138 /nfs/dbraw/zinc/27/31/38/1224273138.db2.gz CENKLFQIAHSSJJ-UHFFFAOYSA-N 2 0 362.474 0.949 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CCC1 ZINC001218969990 1224274494 /nfs/dbraw/zinc/27/44/94/1224274494.db2.gz AMXVLHSGBIBNIJ-OKZBNKHCSA-N 2 0 369.506 0.291 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)NCc2cccnc2)c1 ZINC001218976970 1224276438 /nfs/dbraw/zinc/27/64/38/1224276438.db2.gz FJICOYVOCZUMSD-INIZCTEOSA-N 2 0 373.482 0.969 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(Cc3cc(C)ncn3)C[C@@H]21 ZINC001219004242 1224284445 /nfs/dbraw/zinc/28/44/45/1224284445.db2.gz BXEWYCHIWLQBSO-ZWKOTPCHSA-N 2 0 361.490 0.929 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418277 1195517829 /nfs/dbraw/zinc/51/78/29/1195517829.db2.gz LVUJLMRTAHRFEP-SYJBPTKTSA-N 2 0 363.502 0.591 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418264 1195517955 /nfs/dbraw/zinc/51/79/55/1195517955.db2.gz LKCWSZSPASEAEI-MOXMWUHRSA-N 2 0 357.454 0.211 20 0 FCADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)c2ccccc2)CC1 ZINC000905088841 1195573449 /nfs/dbraw/zinc/57/34/49/1195573449.db2.gz KYGPZIFWXOYCEO-AABGKKOBSA-N 2 0 363.502 0.467 20 0 FCADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C[C@]1(O)CCOC1 ZINC000905113626 1195575322 /nfs/dbraw/zinc/57/53/22/1195575322.db2.gz IJSSIBCWNNVCLI-VQTJNVASSA-N 2 0 364.486 0.635 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905368589 1195584132 /nfs/dbraw/zinc/58/41/32/1195584132.db2.gz UCBILWBGEQIYNO-ZCNNSNEGSA-N 2 0 364.486 0.635 20 0 FCADRP CN(C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590513 1195585459 /nfs/dbraw/zinc/58/54/59/1195585459.db2.gz ISUVFPCQHOGYAP-XYPHTWIQSA-N 2 0 366.462 0.470 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591173 1195589958 /nfs/dbraw/zinc/58/99/58/1195589958.db2.gz PCDHRUBKSRJJIF-JQHSSLGASA-N 2 0 358.442 0.987 20 0 FCADRP CN1C(=O)CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906470258 1195631798 /nfs/dbraw/zinc/63/17/98/1195631798.db2.gz AWUVBCLCNKUZGP-QGZVFWFLSA-N 2 0 359.474 0.721 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000906678061 1195644207 /nfs/dbraw/zinc/64/42/07/1195644207.db2.gz JWSVGBSAKXOBIP-MRXNPFEDSA-N 2 0 360.458 0.797 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000906796260 1195667375 /nfs/dbraw/zinc/66/73/75/1195667375.db2.gz HMUJYAPMOFWXBJ-UHFFFAOYSA-N 2 0 364.494 0.764 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000907292080 1195688526 /nfs/dbraw/zinc/68/85/26/1195688526.db2.gz OCWBJFDIHIWZLQ-IBGZPJMESA-N 2 0 360.502 0.363 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219028098 1224299656 /nfs/dbraw/zinc/29/96/56/1224299656.db2.gz PCPFKKZNIBXZPH-KRWDZBQOSA-N 2 0 368.437 0.793 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000910831953 1195851331 /nfs/dbraw/zinc/85/13/31/1195851331.db2.gz MAPXDAQUZUGLMV-FUHWJXTLSA-N 2 0 371.485 0.815 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000910832428 1195851339 /nfs/dbraw/zinc/85/13/39/1195851339.db2.gz QMKWBYIQJUYZIE-SJORKVTESA-N 2 0 373.501 0.919 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCCO1 ZINC000910984098 1195873245 /nfs/dbraw/zinc/87/32/45/1195873245.db2.gz LCVVPVRPTASETO-ZTFGCOKTSA-N 2 0 374.485 0.344 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037356 1224309124 /nfs/dbraw/zinc/30/91/24/1224309124.db2.gz GALHSKFTGDAJOE-FGTMMUONSA-N 2 0 369.506 0.171 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)C[C@@H](C)O1 ZINC000911100377 1195888929 /nfs/dbraw/zinc/88/89/29/1195888929.db2.gz FESGJHBFAKHRGC-HUUCEWRRSA-N 2 0 374.485 0.520 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000911101808 1195889452 /nfs/dbraw/zinc/88/94/52/1195889452.db2.gz OHZMDDVSORWTQB-KRWDZBQOSA-N 2 0 373.501 0.811 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC000911102850 1195890217 /nfs/dbraw/zinc/89/02/17/1195890217.db2.gz SMQVWGHJHOLKPV-OAHLLOKOSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000911103522 1195890444 /nfs/dbraw/zinc/89/04/44/1195890444.db2.gz YTBCMOWNKIKAGB-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911146155 1195898137 /nfs/dbraw/zinc/89/81/37/1195898137.db2.gz OOCNIPXOQUOVCW-UHFFFAOYSA-N 2 0 373.501 0.048 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000911156118 1195899415 /nfs/dbraw/zinc/89/94/15/1195899415.db2.gz BBHQCHIWZVZESY-HNNXBMFYSA-N 2 0 358.486 0.399 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911270549 1195925646 /nfs/dbraw/zinc/92/56/46/1195925646.db2.gz YMTMGZAVCZYVCF-IRXDYDNUSA-N 2 0 367.538 0.025 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000911302158 1195931430 /nfs/dbraw/zinc/93/14/30/1195931430.db2.gz GLXPOGJDVJIFPH-UHFFFAOYSA-N 2 0 353.426 0.683 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644521 1195931877 /nfs/dbraw/zinc/93/18/77/1195931877.db2.gz KVMNCIRTLMYZJA-XKQJLSEDSA-N 2 0 371.441 0.026 20 0 FCADRP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1 ZINC001083644669 1195933798 /nfs/dbraw/zinc/93/37/98/1195933798.db2.gz QJCAGTVBWIRKQO-ZACQAIPSSA-N 2 0 358.442 0.924 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000911366265 1195948390 /nfs/dbraw/zinc/94/83/90/1195948390.db2.gz ZRFMAMHEVBECIN-HNNXBMFYSA-N 2 0 366.506 0.109 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054622 1224323042 /nfs/dbraw/zinc/32/30/42/1224323042.db2.gz HCGNQDFZCYLKLH-YESZJQIVSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000911702897 1196308116 /nfs/dbraw/zinc/30/81/16/1196308116.db2.gz RKFYEPVWTRPKPM-YVMONPNESA-N 2 0 360.458 0.188 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000912385793 1196343922 /nfs/dbraw/zinc/34/39/22/1196343922.db2.gz ODJNWUWTCLRILY-IBGZPJMESA-N 2 0 360.502 0.363 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912464097 1196347626 /nfs/dbraw/zinc/34/76/26/1196347626.db2.gz UZMKBRSQPSZVEF-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000912992654 1196388249 /nfs/dbraw/zinc/38/82/49/1196388249.db2.gz JKRZELYULWJYJI-KRWDZBQOSA-N 2 0 367.538 0.249 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCO[C@H](C)C2)CC1=O ZINC000591644087 1196522352 /nfs/dbraw/zinc/52/23/52/1196522352.db2.gz PRIGNXXPNVZKBR-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958939 1196600397 /nfs/dbraw/zinc/60/03/97/1196600397.db2.gz AGSTZVGYQCHDBK-CABCVRRESA-N 2 0 360.506 0.618 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592956630 1196600555 /nfs/dbraw/zinc/60/05/55/1196600555.db2.gz IJDDRLYZOULFAL-INIZCTEOSA-N 2 0 362.522 0.723 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000594077373 1196690473 /nfs/dbraw/zinc/69/04/73/1196690473.db2.gz WCVBASVEKLPAFL-GOSISDBHSA-N 2 0 373.501 0.684 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001105946536 1196750182 /nfs/dbraw/zinc/75/01/82/1196750182.db2.gz WYXXLKBWPOCQBN-INMHGKMJSA-N 2 0 362.474 0.674 20 0 FCADRP COC(=O)c1ccc(N)c(NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001219147767 1224368337 /nfs/dbraw/zinc/36/83/37/1224368337.db2.gz YYSOPXBNZRSNBU-OAHLLOKOSA-N 2 0 362.430 0.447 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088898662 1196830655 /nfs/dbraw/zinc/83/06/55/1196830655.db2.gz PMHUZRLDIAZAPK-IXDOHACOSA-N 2 0 365.522 0.854 20 0 FCADRP Cc1nccn1CC(=O)N[C@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001089040839 1196872977 /nfs/dbraw/zinc/87/29/77/1196872977.db2.gz PBDOJLLLHAAWJB-LZWOXQAQSA-N 2 0 363.462 0.018 20 0 FCADRP Cc1nccn1CC(=O)N[C@H]1CCN(CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001089040838 1196873282 /nfs/dbraw/zinc/87/32/82/1196873282.db2.gz PBDOJLLLHAAWJB-FMKPAKJESA-N 2 0 363.462 0.018 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219190729 1224380734 /nfs/dbraw/zinc/38/07/34/1224380734.db2.gz XXFJBRHKKVZNOZ-HUUCEWRRSA-N 2 0 372.391 0.772 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106120445 1197041001 /nfs/dbraw/zinc/04/10/01/1197041001.db2.gz VRHNOUABCHKCPB-BRWVUGGUSA-N 2 0 365.522 0.569 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696057 1197100916 /nfs/dbraw/zinc/10/09/16/1197100916.db2.gz HDCLSGKWFFQEKJ-SQNIBIBYSA-N 2 0 367.534 0.963 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689460 1197305260 /nfs/dbraw/zinc/30/52/60/1197305260.db2.gz QUXTTXRHEIWOMN-SYNHAJSKSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148005 1197308119 /nfs/dbraw/zinc/30/81/19/1197308119.db2.gz BKWITXRHEWFRQV-KLHDSHLOSA-N 2 0 374.489 0.439 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106149297 1197309087 /nfs/dbraw/zinc/30/90/87/1197309087.db2.gz DLUQNDQKQUGDQY-KLHDSHLOSA-N 2 0 364.490 0.160 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106150758 1197311094 /nfs/dbraw/zinc/31/10/94/1197311094.db2.gz DMRSEEHVBYBHGI-NRSFXHEJSA-N 2 0 364.534 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106151163 1197311695 /nfs/dbraw/zinc/31/16/95/1197311695.db2.gz LPMUHXBZZNSRMO-NRSFXHEJSA-N 2 0 364.534 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106151473 1197311976 /nfs/dbraw/zinc/31/19/76/1197311976.db2.gz UNTGASGPBFPOLV-WCXIOVBPSA-N 2 0 365.522 0.426 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@]3(C)C2)C1 ZINC000992933317 1197611591 /nfs/dbraw/zinc/61/15/91/1197611591.db2.gz BYBDPHVZAWRKSR-QKLQHJQFSA-N 2 0 362.518 0.587 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945932 1197618871 /nfs/dbraw/zinc/61/88/71/1197618871.db2.gz ZPGCTPLRABZILU-YRNRMSPPSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992951023 1197628088 /nfs/dbraw/zinc/62/80/88/1197628088.db2.gz HRPXXVMEFULIGR-FUHIMQAGSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085245022 1197737910 /nfs/dbraw/zinc/73/79/10/1197737910.db2.gz IFBKEQHTUAUHFP-ZACQAIPSSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106244480 1197776137 /nfs/dbraw/zinc/77/61/37/1197776137.db2.gz LZHGWASSCGFXOV-ZACQAIPSSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106255914 1197793342 /nfs/dbraw/zinc/79/33/42/1197793342.db2.gz OYRHBGSLJGRRFV-HUUCEWRRSA-N 2 0 364.490 0.304 20 0 FCADRP CC(C)NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371508 1197802122 /nfs/dbraw/zinc/80/21/22/1197802122.db2.gz VLITUZCHFPMAGJ-NVXWUHKLSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001085395569 1197864151 /nfs/dbraw/zinc/86/41/51/1197864151.db2.gz ROFKACPFHLMOBQ-ARFHVFGLSA-N 2 0 358.490 0.878 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589167 1197864169 /nfs/dbraw/zinc/86/41/69/1197864169.db2.gz FMIKSSSTCDCNHJ-HUUCEWRRSA-N 2 0 370.413 0.185 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106336694 1197868124 /nfs/dbraw/zinc/86/81/24/1197868124.db2.gz ZXSNWQVRXITKBY-BRWVUGGUSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106346566 1197873733 /nfs/dbraw/zinc/87/37/33/1197873733.db2.gz IHADEQILFZIYEF-INMHGKMJSA-N 2 0 359.474 0.481 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1ccnc1)C1CCCC1 ZINC001273339204 1197930480 /nfs/dbraw/zinc/93/04/80/1197930480.db2.gz OSRDPPGTDWAIEI-MSOLQXFVSA-N 2 0 361.490 0.669 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273350577 1197960412 /nfs/dbraw/zinc/96/04/12/1197960412.db2.gz VVYVSSYBJMYEEZ-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H]([NH+]3CCCC3)CC1)C2=O ZINC000738268956 1197996802 /nfs/dbraw/zinc/99/68/02/1197996802.db2.gz DWCHFXJKHSWYHT-INIZCTEOSA-N 2 0 363.506 0.910 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC000993196476 1198006057 /nfs/dbraw/zinc/00/60/57/1198006057.db2.gz LYOQIVGFBHFSKI-POAQFYNOSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001106599597 1198029472 /nfs/dbraw/zinc/02/94/72/1198029472.db2.gz NVPYEEPCRPDVBQ-HUUCEWRRSA-N 2 0 364.494 0.334 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)on1 ZINC001106597645 1198030487 /nfs/dbraw/zinc/03/04/87/1198030487.db2.gz GPTBRUIJWQWZKR-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001106623529 1198038230 /nfs/dbraw/zinc/03/82/30/1198038230.db2.gz UODZCTPHXYQHPM-VHDGCEQUSA-N 2 0 365.478 0.946 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001106627940 1198039062 /nfs/dbraw/zinc/03/90/62/1198039062.db2.gz BHHXBHUJDNMKNR-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP COc1coc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001086369875 1198330645 /nfs/dbraw/zinc/33/06/45/1198330645.db2.gz FBIXWKWKOJVRNM-IXYNUQLISA-N 2 0 363.458 0.973 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001219489404 1224486163 /nfs/dbraw/zinc/48/61/63/1224486163.db2.gz OZOGODJZWJMNSB-RDJZCZTQSA-N 2 0 362.474 0.744 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501395 1224488917 /nfs/dbraw/zinc/48/89/17/1224488917.db2.gz VGQBQAOCARHFIG-IPELMVKDSA-N 2 0 374.441 0.177 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@]1(O)CCC[NH2+]C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501926 1224490261 /nfs/dbraw/zinc/49/02/61/1224490261.db2.gz ZWEAWYTXTFMQBE-RTBURBONSA-N 2 0 374.441 0.322 20 0 FCADRP COC(OC)c1c(C[NH3+])ccnc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168877894 1199038716 /nfs/dbraw/zinc/03/87/16/1199038716.db2.gz HPZMKLRFLTWBAD-UHFFFAOYSA-N 2 0 355.402 0.933 20 0 FCADRP Cc1cn([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169115615 1199049911 /nfs/dbraw/zinc/04/99/11/1199049911.db2.gz LPBBUWXPSWXHFR-VNAATALASA-N 2 0 364.446 0.121 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610083 1224528184 /nfs/dbraw/zinc/52/81/84/1224528184.db2.gz KSKRZGVZAYYAIM-CJNGLKHVSA-N 2 0 368.359 0.960 20 0 FCADRP C[C@]([NH3+])(CO)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723757 1224577395 /nfs/dbraw/zinc/57/73/95/1224577395.db2.gz RTZAXRPQLUOUIS-MJGOQNOKSA-N 3 0 360.502 0.314 20 0 FCADRP [NH3+][C@@H]1COC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729195 1224581673 /nfs/dbraw/zinc/58/16/73/1224581673.db2.gz QFCOMLYFXGPBAP-CEXWTWQISA-N 3 0 372.513 0.578 20 0 FCADRP [NH3+]CCNCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728577 1224581843 /nfs/dbraw/zinc/58/18/43/1224581843.db2.gz BEGMSMGZNAXSLE-GOSISDBHSA-N 3 0 359.518 0.153 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736387 1224584688 /nfs/dbraw/zinc/58/46/88/1224584688.db2.gz CDUJQKLXZSUXKY-HZPDHXFCSA-N 2 0 361.442 0.332 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767945895 1200042626 /nfs/dbraw/zinc/04/26/26/1200042626.db2.gz UQROYNSTPZXHSP-BDXSIMOUSA-N 2 0 366.506 0.527 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744216 1224588682 /nfs/dbraw/zinc/58/86/82/1224588682.db2.gz VEJHTAGRXYHFJT-SJORKVTESA-N 2 0 374.485 0.090 20 0 FCADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749153 1224592743 /nfs/dbraw/zinc/59/27/43/1224592743.db2.gz INSJUSDIBOQFON-HNNXBMFYSA-N 2 0 358.446 0.322 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109304397 1200160975 /nfs/dbraw/zinc/16/09/75/1200160975.db2.gz ZHDCDJBNSIDGKW-XABWRGDLSA-N 2 0 366.506 0.201 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CCC1 ZINC001109401847 1200249407 /nfs/dbraw/zinc/24/94/07/1200249407.db2.gz FODKPYUSGMADSJ-NCOADZHNSA-N 2 0 361.490 0.450 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CCC1 ZINC001109401848 1200250549 /nfs/dbraw/zinc/25/05/49/1200250549.db2.gz FODKPYUSGMADSJ-QZWWFDLISA-N 2 0 361.490 0.450 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001109408695 1200255699 /nfs/dbraw/zinc/25/56/99/1200255699.db2.gz WXHZNUIPGLABBM-BDXSIMOUSA-N 2 0 361.490 0.450 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777727 1224608845 /nfs/dbraw/zinc/60/88/45/1224608845.db2.gz OXASMISSTTVWNM-HOTGVXAUSA-N 3 0 365.522 0.082 20 0 FCADRP [NH3+]C1(C(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)CCC2(CC1)OCCO2 ZINC001219788373 1224613202 /nfs/dbraw/zinc/61/32/02/1224613202.db2.gz QJOCYEAKBRWGLZ-OAHLLOKOSA-N 2 0 362.474 0.728 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219794370 1224615640 /nfs/dbraw/zinc/61/56/40/1224615640.db2.gz YCDJZZIBPSDIHI-OXQOHEQNSA-N 3 0 364.534 0.868 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794545 1224616054 /nfs/dbraw/zinc/61/60/54/1224616054.db2.gz DNBZFSUGCMJPBV-KURKYZTESA-N 2 0 369.506 0.218 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)c2ccccc21 ZINC001219800391 1224619835 /nfs/dbraw/zinc/61/98/35/1224619835.db2.gz IYZNRZSFZFWWCS-WBVHZDCISA-N 2 0 356.470 0.933 20 0 FCADRP NC1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001219801353 1224621317 /nfs/dbraw/zinc/62/13/17/1224621317.db2.gz YFOXNAOYICYNHB-SFHVURJKSA-N 2 0 372.513 0.865 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CO)cc1 ZINC001109977667 1200660071 /nfs/dbraw/zinc/66/00/71/1200660071.db2.gz UGEHHJYYNYDHHJ-QYZOEREBSA-N 2 0 361.486 0.979 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809649 1224628063 /nfs/dbraw/zinc/62/80/63/1224628063.db2.gz OWWQYTBBFWLRBV-OAHLLOKOSA-N 2 0 367.409 0.500 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112548875 1200774486 /nfs/dbraw/zinc/77/44/86/1200774486.db2.gz XHWGSVBTSRIRHF-MPGHIAIKSA-N 2 0 363.510 0.831 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112586321 1200822780 /nfs/dbraw/zinc/82/27/80/1200822780.db2.gz UFCZFCQVWANDHX-LPHOPBHVSA-N 2 0 365.522 0.570 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787132440 1200866885 /nfs/dbraw/zinc/86/68/85/1200866885.db2.gz YXXOGVGEONCIOX-WBVHZDCISA-N 2 0 364.490 0.099 20 0 FCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787132439 1200866925 /nfs/dbraw/zinc/86/69/25/1200866925.db2.gz YXXOGVGEONCIOX-RDJZCZTQSA-N 2 0 364.490 0.099 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219831321 1224642390 /nfs/dbraw/zinc/64/23/90/1224642390.db2.gz GHDAHNJANVFSJX-KJWYOANISA-N 2 0 357.454 0.562 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219834143 1224645213 /nfs/dbraw/zinc/64/52/13/1224645213.db2.gz OKWCITCDUFEPFD-RUENVJTFSA-N 2 0 360.458 0.244 20 0 FCADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835151 1224646458 /nfs/dbraw/zinc/64/64/58/1224646458.db2.gz YHVAXOZMSIEDNZ-GJYPPUQNSA-N 2 0 362.474 0.109 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838753 1224647593 /nfs/dbraw/zinc/64/75/93/1224647593.db2.gz UFKGHHGJSOSENZ-LSBZLQRGSA-N 2 0 363.458 0.596 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837944 1224647746 /nfs/dbraw/zinc/64/77/46/1224647746.db2.gz NACFVPFULFDUSM-QSFXBCCZSA-N 2 0 359.470 0.602 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cccc(N2CC[NH2+]CC2)c1 ZINC001219843727 1224649723 /nfs/dbraw/zinc/64/97/23/1224649723.db2.gz BQIPACIUATZILF-OXJNMPFZSA-N 2 0 374.485 0.221 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ccco2)CC1 ZINC001219849963 1224654086 /nfs/dbraw/zinc/65/40/86/1224654086.db2.gz KAXIHBCRFXIMBU-PLYYQAHHSA-N 2 0 362.474 0.485 20 0 FCADRP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncnc2c1C[NH2+]CC2 ZINC001170161727 1201171947 /nfs/dbraw/zinc/17/19/47/1201171947.db2.gz IIXLXQRAFMXHRX-UHFFFAOYSA-N 2 0 353.430 0.990 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2cc3ccccc3o2)C1 ZINC001219856731 1224656851 /nfs/dbraw/zinc/65/68/51/1224656851.db2.gz YXROSTRVPWBTQK-HIGHGGLBSA-N 2 0 370.453 0.610 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnnnc2)[C@H](O)OC(C)(C)C)C1 ZINC001170388976 1201208696 /nfs/dbraw/zinc/20/86/96/1201208696.db2.gz BEGSGSKLGRSMAJ-VLVIQNCWSA-N 2 0 368.482 0.145 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc2)cn1 ZINC001086614180 1201236521 /nfs/dbraw/zinc/23/65/21/1201236521.db2.gz ISUFCTPCYRPGCZ-RBUKOAKNSA-N 2 0 371.485 0.635 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793698385 1201257549 /nfs/dbraw/zinc/25/75/49/1201257549.db2.gz JZIJYXWTHQJAHE-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129400335 1201305771 /nfs/dbraw/zinc/30/57/71/1201305771.db2.gz IJRCGJAPRVAHJS-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454178 1201312092 /nfs/dbraw/zinc/31/20/92/1201312092.db2.gz ZSXUFLPGNSRMDW-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001219877499 1224668811 /nfs/dbraw/zinc/66/88/11/1224668811.db2.gz IQZFSJPFGUTWNH-MSOLQXFVSA-N 2 0 361.486 0.706 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685958 1201370801 /nfs/dbraw/zinc/37/08/01/1201370801.db2.gz VNKZLFIHIHRANP-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892133 1201416361 /nfs/dbraw/zinc/41/63/61/1201416361.db2.gz JOGJRIFCGJPVSF-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129900020 1201432844 /nfs/dbraw/zinc/43/28/44/1201432844.db2.gz XARLKVOCMRTMNI-IKGGRYGDSA-N 2 0 366.510 0.632 20 0 FCADRP CN(CCC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)c1cc[nH+]cc1 ZINC001129918525 1201440863 /nfs/dbraw/zinc/44/08/63/1201440863.db2.gz BXJRTYJKGPXMOV-MSOLQXFVSA-N 2 0 369.473 0.951 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129984863 1201463650 /nfs/dbraw/zinc/46/36/50/1201463650.db2.gz GGSAZNFIKPHQQW-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001129994295 1201464562 /nfs/dbraw/zinc/46/45/62/1201464562.db2.gz FXWSNCYPUIFKKL-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994227 1201464612 /nfs/dbraw/zinc/46/46/12/1201464612.db2.gz CCNINOKLHFVFNW-IXDOHACOSA-N 2 0 366.510 0.631 20 0 FCADRP CO[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129992013 1201470664 /nfs/dbraw/zinc/47/06/64/1201470664.db2.gz HSOUNQOXKYTBOS-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014447 1201471990 /nfs/dbraw/zinc/47/19/90/1201471990.db2.gz MWMFHVHGUZVCAD-CVEARBPZSA-N 2 0 366.510 0.634 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130030781 1201480731 /nfs/dbraw/zinc/48/07/31/1201480731.db2.gz QWBHHTAAZRWWLR-IKGGRYGDSA-N 2 0 364.494 0.265 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130030741 1201481119 /nfs/dbraw/zinc/48/11/19/1201481119.db2.gz PEWWVLOPZPPWNM-OIISXLGYSA-N 2 0 364.494 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130047783 1201486638 /nfs/dbraw/zinc/48/66/38/1201486638.db2.gz SXHIDIAJBOLBRW-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130081654 1201492990 /nfs/dbraw/zinc/49/29/90/1201492990.db2.gz ZOVDLQVHRXITEV-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001130079507 1201496100 /nfs/dbraw/zinc/49/61/00/1201496100.db2.gz NGOWQZNNQLOZKY-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130096501 1201499038 /nfs/dbraw/zinc/49/90/38/1201499038.db2.gz ITLMFRCDNZYUBQ-ZACQAIPSSA-N 2 0 366.510 0.513 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125171 1201506165 /nfs/dbraw/zinc/50/61/65/1201506165.db2.gz BIWANCJLZUKWFV-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130125362 1201506370 /nfs/dbraw/zinc/50/63/70/1201506370.db2.gz JRCFVCUGODUDGN-SJORKVTESA-N 2 0 362.478 0.142 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130125649 1201506867 /nfs/dbraw/zinc/50/68/67/1201506867.db2.gz YPATUOOKUXWBJE-SJORKVTESA-N 2 0 364.494 0.268 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001130212749 1201545439 /nfs/dbraw/zinc/54/54/39/1201545439.db2.gz AUUIBONNNJEISM-KBXIAJHMSA-N 2 0 364.494 0.633 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001130220567 1201545889 /nfs/dbraw/zinc/54/58/89/1201545889.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 2 0 364.494 0.777 20 0 FCADRP C[NH+](C)CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130232167 1201556625 /nfs/dbraw/zinc/55/66/25/1201556625.db2.gz BASKQYUOJCZQQZ-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP C[NH+](C)CC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC1 ZINC001130232644 1201558543 /nfs/dbraw/zinc/55/85/43/1201558543.db2.gz MPGVQKAUBVZZSL-STQMWFEESA-N 2 0 368.457 0.194 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001130302435 1201580566 /nfs/dbraw/zinc/58/05/66/1201580566.db2.gz ZPIIKMFIHAJQSB-RYRKJORJSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130304969 1201580943 /nfs/dbraw/zinc/58/09/43/1201580943.db2.gz GZPHXOJJIAOIIG-OGWOLHLISA-N 2 0 368.522 0.184 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC[NH+](C)C)CC1 ZINC001130306871 1201581995 /nfs/dbraw/zinc/58/19/95/1201581995.db2.gz BOVHHSACMTWFCH-APWZRJJASA-N 2 0 368.522 0.448 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001219999385 1224722521 /nfs/dbraw/zinc/72/25/21/1224722521.db2.gz RGLAASBSSWURTQ-OAHLLOKOSA-N 2 0 364.446 0.155 20 0 FCADRP COC(=O)C1(NC(=O)c2cccc(CN3CC[NH2+]CC3)c2)CC[NH2+]CC1 ZINC001220003679 1224724547 /nfs/dbraw/zinc/72/45/47/1224724547.db2.gz SDQDALFXCXUDRH-UHFFFAOYSA-N 2 0 360.458 0.117 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001130652054 1202742495 /nfs/dbraw/zinc/74/24/95/1202742495.db2.gz CZKYRDXGJYHKAN-NBOOPKSLSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]CCC2CC2)c1 ZINC001130712698 1202759748 /nfs/dbraw/zinc/75/97/48/1202759748.db2.gz HUAVJGLYDDOGOT-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)C1CCCCC1 ZINC001220070471 1224744433 /nfs/dbraw/zinc/74/44/33/1224744433.db2.gz QVWDAIYBSMCJFJ-MSOLQXFVSA-N 2 0 363.506 0.699 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1 ZINC001130813375 1202805730 /nfs/dbraw/zinc/80/57/30/1202805730.db2.gz NGIWQXMDWINWDU-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000807460243 1202829335 /nfs/dbraw/zinc/82/93/35/1202829335.db2.gz GCASKGBESVKVTC-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131007832 1202842187 /nfs/dbraw/zinc/84/21/87/1202842187.db2.gz NHJINXYATBVWPL-NUJGCVRESA-N 2 0 363.506 0.681 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)c1cnccn1 ZINC001131062014 1202854290 /nfs/dbraw/zinc/85/42/90/1202854290.db2.gz RFYXGMMCCGCZRK-BFYDXBDKSA-N 2 0 371.489 0.807 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070298 1202856111 /nfs/dbraw/zinc/85/61/11/1202856111.db2.gz OHGMXNUHOMKRQF-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131091818 1202861324 /nfs/dbraw/zinc/86/13/24/1202861324.db2.gz QMRPXDYGYRFKAT-GVDBMIGSSA-N 2 0 365.522 0.807 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108072 1202864098 /nfs/dbraw/zinc/86/40/98/1202864098.db2.gz IJWGLXJCKISWFU-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108460 1202864455 /nfs/dbraw/zinc/86/44/55/1202864455.db2.gz SOXQCTITTRPMTC-BRWVUGGUSA-N 2 0 365.522 0.928 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121352 1202866004 /nfs/dbraw/zinc/86/60/04/1202866004.db2.gz UHNJXAWEYWRGNO-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552166 1202881653 /nfs/dbraw/zinc/88/16/53/1202881653.db2.gz QRCPIHYDRLZVNW-WCXIOVBPSA-N 2 0 367.490 0.439 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500056 1202903976 /nfs/dbraw/zinc/90/39/76/1202903976.db2.gz HIQAKSAKKHGQLV-IIVZCXTMSA-N 2 0 366.506 0.058 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001131515445 1202907467 /nfs/dbraw/zinc/90/74/67/1202907467.db2.gz KPEFZBYYVOJMAF-NJAFHUGGSA-N 2 0 368.522 0.304 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604779 1202918578 /nfs/dbraw/zinc/91/85/78/1202918578.db2.gz GRCFKJICFIVBKV-APWZRJJASA-N 2 0 366.506 0.156 20 0 FCADRP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001158532222 1202939060 /nfs/dbraw/zinc/93/90/60/1202939060.db2.gz AAQUAQXFFDJINX-WAOWUJCRSA-N 2 0 370.497 0.973 20 0 FCADRP CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086700110 1202974632 /nfs/dbraw/zinc/97/46/32/1202974632.db2.gz XRVNAUWVAZMMQK-QKPAOTATSA-N 2 0 363.510 0.969 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)[C@@H](c2ccccc2)C1 ZINC001134126232 1203015338 /nfs/dbraw/zinc/01/53/38/1203015338.db2.gz GNHDATAZCSTHLZ-MSOLQXFVSA-N 2 0 358.486 0.660 20 0 FCADRP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001086737409 1203063245 /nfs/dbraw/zinc/06/32/45/1203063245.db2.gz ISERAOKUFIHENF-RRFJBIMHSA-N 2 0 357.462 0.649 20 0 FCADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001170829042 1203070377 /nfs/dbraw/zinc/07/03/77/1203070377.db2.gz JNLFJVPPWNJPLO-KYJSFNMBSA-N 2 0 368.522 0.483 20 0 FCADRP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)[nH]1 ZINC001086785300 1203092119 /nfs/dbraw/zinc/09/21/19/1203092119.db2.gz SBNAFVAMPPSLDD-XHSDSOJGSA-N 2 0 364.494 0.597 20 0 FCADRP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086784979 1203092320 /nfs/dbraw/zinc/09/23/20/1203092320.db2.gz DORFKAMCEOLOJU-UXLLHSPISA-N 2 0 365.478 0.862 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@@H]1Cc1ccccc1 ZINC000817993309 1203132056 /nfs/dbraw/zinc/13/20/56/1203132056.db2.gz FGNHFZNEEKEVDP-GHTZIAJQSA-N 2 0 370.497 0.726 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@H]1Cc1ccccc1 ZINC000817993312 1203132102 /nfs/dbraw/zinc/13/21/02/1203132102.db2.gz FGNHFZNEEKEVDP-WIYYLYMNSA-N 2 0 370.497 0.726 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)nn1 ZINC000818537572 1203139388 /nfs/dbraw/zinc/13/93/88/1203139388.db2.gz UWCGJOXDRGQAAP-UHFFFAOYSA-N 2 0 372.429 0.788 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885617 1203331716 /nfs/dbraw/zinc/33/17/16/1203331716.db2.gz YTCIBYSWKJSTPT-BHYGNILZSA-N 2 0 360.458 0.016 20 0 FCADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220158661 1224790739 /nfs/dbraw/zinc/79/07/39/1224790739.db2.gz CXOISKGVZILOJU-IIDMSEBBSA-N 2 0 358.490 0.568 20 0 FCADRP N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccc(F)cn1 ZINC001220170574 1224793991 /nfs/dbraw/zinc/79/39/91/1224793991.db2.gz ORAPFUXPKHCMJP-JSGCOSHPSA-N 2 0 364.425 0.110 20 0 FCADRP C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220242838 1224814036 /nfs/dbraw/zinc/81/40/36/1224814036.db2.gz IUMVEXKWKANIEG-JYJNAYRXSA-N 2 0 370.538 0.880 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220254510 1224815406 /nfs/dbraw/zinc/81/54/06/1224815406.db2.gz RWOKUPYNCKSUJD-QAPCUYQASA-N 2 0 371.485 0.754 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220310431 1224825613 /nfs/dbraw/zinc/82/56/13/1224825613.db2.gz AKBIPBJTSZLDAI-OAHLLOKOSA-N 3 0 360.506 0.457 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220310430 1224825281 /nfs/dbraw/zinc/82/52/81/1224825281.db2.gz AKBIPBJTSZLDAI-HNNXBMFYSA-N 3 0 360.506 0.457 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220323244 1224829180 /nfs/dbraw/zinc/82/91/80/1224829180.db2.gz DUBCJTVGXSCTKT-DGELGTTISA-N 2 0 370.453 0.126 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091543944 1204709144 /nfs/dbraw/zinc/70/91/44/1204709144.db2.gz RGRYKCYOPPFZSF-AOIWGVFYSA-N 2 0 360.506 0.769 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716838 1204831946 /nfs/dbraw/zinc/83/19/46/1204831946.db2.gz WSMLRTCSIAQZSC-AOIWGVFYSA-N 2 0 360.506 0.933 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735102 1204836157 /nfs/dbraw/zinc/83/61/57/1204836157.db2.gz JQXZEWCDEGIBLM-QAPCUYQASA-N 2 0 363.506 0.276 20 0 FCADRP C[C@@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742701 1204839033 /nfs/dbraw/zinc/83/90/33/1204839033.db2.gz FXONDPVASZTXAE-IYOUNJFTSA-N 2 0 361.494 0.536 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001086854754 1204852809 /nfs/dbraw/zinc/85/28/09/1204852809.db2.gz OHECLBLTCTXSPS-GVDBMIGSSA-N 2 0 362.518 0.966 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086875330 1204858475 /nfs/dbraw/zinc/85/84/75/1204858475.db2.gz OITRKQAGTVTICN-RRFJBIMHSA-N 2 0 362.478 0.135 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)C1 ZINC001086875370 1204858558 /nfs/dbraw/zinc/85/85/58/1204858558.db2.gz PUMWJTZZPLWCHU-HRCADAONSA-N 2 0 360.506 0.941 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1 ZINC001087009513 1204896970 /nfs/dbraw/zinc/89/69/70/1204896970.db2.gz KBMODCSWTUDHRN-HYVNUMGLSA-N 2 0 367.469 0.242 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087035347 1204911346 /nfs/dbraw/zinc/91/13/46/1204911346.db2.gz XCGXUQWUXSMRND-DJIMGWMZSA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087035061 1204911416 /nfs/dbraw/zinc/91/14/16/1204911416.db2.gz JXSXAZOASYQCNS-FVQBIDKESA-N 2 0 366.462 0.731 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087034330 1204924247 /nfs/dbraw/zinc/92/42/47/1204924247.db2.gz ALBUIBGSLHRMEJ-BPQIPLTHSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087055541 1204935425 /nfs/dbraw/zinc/93/54/25/1204935425.db2.gz SFBDRBWMHFJGEG-KCYZZUKISA-N 2 0 365.478 0.671 20 0 FCADRP CC(C)CC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OC(C)(C)C ZINC001220400509 1224860450 /nfs/dbraw/zinc/86/04/50/1224860450.db2.gz FREWTRFVAWIJMR-HOTGVXAUSA-N 2 0 370.538 1.000 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059809 1204944813 /nfs/dbraw/zinc/94/48/13/1204944813.db2.gz WIGDPAYWEUXBCV-KBAYOESNSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087060518 1204946022 /nfs/dbraw/zinc/94/60/22/1204946022.db2.gz KMSIZQCMWFXEIU-DJIMGWMZSA-N 2 0 365.478 0.897 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087063223 1204950858 /nfs/dbraw/zinc/95/08/58/1204950858.db2.gz OAKPFELPUPNCSV-KZNAEPCWSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083556 1204971368 /nfs/dbraw/zinc/97/13/68/1204971368.db2.gz KQEZYBBFCKWTFR-CGTJXYLNSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]CC1CC1 ZINC001087090899 1204979760 /nfs/dbraw/zinc/97/97/60/1204979760.db2.gz JEDOYOIWJZZYEG-SJLPKXTDSA-N 2 0 363.506 0.921 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087080005 1204990962 /nfs/dbraw/zinc/99/09/62/1204990962.db2.gz QTRFVQQCKJEZAZ-NVXWUHKLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087080817 1204992543 /nfs/dbraw/zinc/99/25/43/1204992543.db2.gz HLFBQPVFTMUKDJ-BFYDXBDKSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087080945 1204992766 /nfs/dbraw/zinc/99/27/66/1204992766.db2.gz NLXCRYGHSVIDKV-KZNAEPCWSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001087101724 1204999324 /nfs/dbraw/zinc/99/93/24/1204999324.db2.gz YSJBWJZNAGSQBY-ARFHVFGLSA-N 2 0 364.494 0.425 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087101601 1204999923 /nfs/dbraw/zinc/99/99/23/1204999923.db2.gz SITRFKPKOWMSFT-QZTJIDSGSA-N 2 0 361.490 0.834 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087096208 1205003826 /nfs/dbraw/zinc/00/38/26/1205003826.db2.gz CMDBROYBMTWTHA-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087096522 1205004692 /nfs/dbraw/zinc/00/46/92/1205004692.db2.gz QLJLTGHAJQGDSC-GVDBMIGSSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091818424 1205041466 /nfs/dbraw/zinc/04/14/66/1205041466.db2.gz GIKOPDKJAYPVGV-APWZRJJASA-N 2 0 360.502 0.627 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959608 1205092888 /nfs/dbraw/zinc/09/28/88/1205092888.db2.gz CBPCZESCKZCSLK-MUKKUYKPSA-N 2 0 362.474 0.870 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001091975116 1205105987 /nfs/dbraw/zinc/10/59/87/1205105987.db2.gz GHVGJDJHGFNLSX-APWZRJJASA-N 2 0 363.506 0.134 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220428899 1224869475 /nfs/dbraw/zinc/86/94/75/1224869475.db2.gz HGKDOWDKYBUSPL-ZSYWTGECSA-N 2 0 358.486 0.867 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)NC[C@H]2COCC[NH2+]2)c2cc3ccccc3o2)C1 ZINC001220431458 1224870413 /nfs/dbraw/zinc/87/04/13/1224870413.db2.gz HGRPSMPRARDGJL-RVKKMQEKSA-N 2 0 358.442 0.612 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092088319 1205139070 /nfs/dbraw/zinc/13/90/70/1205139070.db2.gz BNQVAXSUMWEFQB-SUMDDJOVSA-N 2 0 363.506 0.874 20 0 FCADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001092203436 1205197926 /nfs/dbraw/zinc/19/79/26/1205197926.db2.gz PVOBBJRQAVPKNR-APWZRJJASA-N 2 0 360.502 0.485 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301501 1205234710 /nfs/dbraw/zinc/23/47/10/1205234710.db2.gz KXEDZFZTDPDLNS-AOIWGVFYSA-N 2 0 360.506 0.933 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611158 1205319963 /nfs/dbraw/zinc/31/99/63/1205319963.db2.gz LHSIHJKGZYDCIE-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC001220525686 1224906255 /nfs/dbraw/zinc/90/62/55/1224906255.db2.gz OOUOVIKFNWIVIR-GFCCVEGCSA-N 2 0 360.414 0.363 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918850 1205943785 /nfs/dbraw/zinc/94/37/85/1205943785.db2.gz OTDINZPUJXDWGD-UKRRQHHQSA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092919616 1205946053 /nfs/dbraw/zinc/94/60/53/1205946053.db2.gz UZFLLNPVQBUPPW-GDBMZVCRSA-N 2 0 360.462 0.931 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985534 1205972272 /nfs/dbraw/zinc/97/22/72/1205972272.db2.gz KJCVYRBBPXWHEQ-OWYHZJEWSA-N 2 0 372.513 0.762 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133185 1206032716 /nfs/dbraw/zinc/03/27/16/1206032716.db2.gz VEMSHCSYIZWGTF-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3[NH+](CC(N)=O)CC34CCC4)CC2)CC[N@@H+]1C ZINC001093371475 1206077005 /nfs/dbraw/zinc/07/70/05/1206077005.db2.gz RKTZHEKMVLDTCY-QGPMSJSTSA-N 2 0 362.518 0.905 20 0 FCADRP CC(C)[C@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465441 1206084847 /nfs/dbraw/zinc/08/48/47/1206084847.db2.gz HXDLYFFIQMWRSP-LFGUQSLTSA-N 2 0 367.534 0.677 20 0 FCADRP CC(C)[C@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093480459 1206090116 /nfs/dbraw/zinc/09/01/16/1206090116.db2.gz JZLZXDZQJIKOAC-HNBVOPMISA-N 2 0 367.534 0.821 20 0 FCADRP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)nn1 ZINC001093773781 1206114394 /nfs/dbraw/zinc/11/43/94/1206114394.db2.gz APOGDEDRHBPOPT-QGPMSJSTSA-N 2 0 360.506 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093806313 1206121477 /nfs/dbraw/zinc/12/14/77/1206121477.db2.gz WLVNKMSDCQEWCS-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093822939 1206123957 /nfs/dbraw/zinc/12/39/57/1206123957.db2.gz ZTXNRRIUNZKEDO-HUUCEWRRSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093856771 1206131937 /nfs/dbraw/zinc/13/19/37/1206131937.db2.gz DFEJNYWUZWVEBE-ZACQAIPSSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093921193 1206149681 /nfs/dbraw/zinc/14/96/81/1206149681.db2.gz NBCFYSPDWVFALA-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093920088 1206150112 /nfs/dbraw/zinc/15/01/12/1206150112.db2.gz SNPAYCHHYUNUQP-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093940221 1206163372 /nfs/dbraw/zinc/16/33/72/1206163372.db2.gz ZXYQMTVRUDGAIN-QGPMSJSTSA-N 2 0 360.506 0.874 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001094042209 1206174199 /nfs/dbraw/zinc/17/41/99/1206174199.db2.gz NYTPEECWBIBVGB-BZUAXINKSA-N 2 0 363.510 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001094100612 1206184580 /nfs/dbraw/zinc/18/45/80/1206184580.db2.gz AMBPNXHARDABOC-HUUCEWRRSA-N 2 0 360.462 0.931 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110153928 1206189426 /nfs/dbraw/zinc/18/94/26/1206189426.db2.gz SLEJCCMQFHUGLM-IKGGRYGDSA-N 2 0 363.506 0.609 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001094137810 1206191169 /nfs/dbraw/zinc/19/11/69/1206191169.db2.gz XTRSOIBCRBBJBG-HZPDHXFCSA-N 2 0 361.490 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094137595 1206191198 /nfs/dbraw/zinc/19/11/98/1206191198.db2.gz QWGXMACCHQJQOB-BFYDXBDKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001094101488 1206191569 /nfs/dbraw/zinc/19/15/69/1206191569.db2.gz VIVIOYBYDKCOFV-IXDOHACOSA-N 2 0 363.506 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001094101487 1206191913 /nfs/dbraw/zinc/19/19/13/1206191913.db2.gz VIVIOYBYDKCOFV-BRWVUGGUSA-N 2 0 363.506 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094165241 1206197412 /nfs/dbraw/zinc/19/74/12/1206197412.db2.gz JCFNKGGLXMNXJG-KBAYOESNSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094220717 1206203400 /nfs/dbraw/zinc/20/34/00/1206203400.db2.gz PMFYPSRPYMBRKT-ZTFGCOKTSA-N 2 0 358.486 0.921 20 0 FCADRP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001094224502 1206207278 /nfs/dbraw/zinc/20/72/78/1206207278.db2.gz OIUOROKGAIJGGT-IIAWOOMASA-N 2 0 364.494 0.266 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](C)C1 ZINC001094224747 1206211282 /nfs/dbraw/zinc/21/12/82/1206211282.db2.gz ZTCULUDZISFDNO-BRWVUGGUSA-N 2 0 361.490 0.629 20 0 FCADRP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001094224669 1206211360 /nfs/dbraw/zinc/21/13/60/1206211360.db2.gz XATBJAIIZVMKAH-IIAWOOMASA-N 2 0 365.478 0.530 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@@H]45)n3)cc2)CC1 ZINC001212629052 1206252954 /nfs/dbraw/zinc/25/29/54/1206252954.db2.gz HVCCXSYOPSIOES-CABCVRRESA-N 2 0 354.414 0.811 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CC1=O ZINC001172039706 1206255356 /nfs/dbraw/zinc/25/53/56/1206255356.db2.gz RLCPAZNNZFLIMB-QGZVFWFLSA-N 2 0 360.502 0.821 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@H]2C(=O)N(C)C ZINC001172132731 1206256672 /nfs/dbraw/zinc/25/66/72/1206256672.db2.gz NOHNROJBUAOISN-MLHJIOFPSA-N 2 0 362.518 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001178527393 1206359163 /nfs/dbraw/zinc/35/91/63/1206359163.db2.gz KSTRJNVQJXVJKY-SOUVJXGZSA-N 2 0 369.510 0.566 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCCCOC)[C@@H]2C)CC[N@@H+]1C ZINC001178736110 1206364132 /nfs/dbraw/zinc/36/41/32/1206364132.db2.gz OMWLZSMKGBGZLS-LUKYLMHMSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O ZINC001182191289 1206423320 /nfs/dbraw/zinc/42/33/20/1206423320.db2.gz MQTUQZUPJMMSGW-HIFRSBDPSA-N 2 0 363.462 0.230 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220585566 1224951536 /nfs/dbraw/zinc/95/15/36/1224951536.db2.gz PSIKYTPUPAJQRP-HNAYVOBHSA-N 2 0 360.458 0.063 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001182654684 1206441414 /nfs/dbraw/zinc/44/14/14/1206441414.db2.gz OKWLPDDBGMJADR-BZUAXINKSA-N 2 0 359.474 0.481 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000774886833 1206481685 /nfs/dbraw/zinc/48/16/85/1206481685.db2.gz BEKDRLNEHGRTNV-CVEARBPZSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000775035614 1206500054 /nfs/dbraw/zinc/50/00/54/1206500054.db2.gz PGVRUODWLXXCKG-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001220652110 1224992402 /nfs/dbraw/zinc/99/24/02/1224992402.db2.gz VJLNFLVAASYIOV-KRWDZBQOSA-N 2 0 358.486 0.871 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)[C@@H]2C1 ZINC001188374860 1207447842 /nfs/dbraw/zinc/44/78/42/1207447842.db2.gz DCZYLCVHLCPGFD-YESZJQIVSA-N 2 0 362.474 0.641 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001188405975 1207454165 /nfs/dbraw/zinc/45/41/65/1207454165.db2.gz XFOHIKKADYHUGM-FUHWJXTLSA-N 2 0 362.474 0.450 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001188673221 1207475051 /nfs/dbraw/zinc/47/50/51/1207475051.db2.gz FUQZOJOWEQRKEO-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818473 1207483458 /nfs/dbraw/zinc/48/34/58/1207483458.db2.gz HFKHVPACFFZYLB-OKZBNKHCSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001188931558 1207488990 /nfs/dbraw/zinc/48/89/90/1207488990.db2.gz FFEDRNPTAZNULX-LEUOFYLZSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H](NC(=O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188971235 1207492824 /nfs/dbraw/zinc/49/28/24/1207492824.db2.gz RTLRISCGHQCPFP-HYVNUMGLSA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001188970028 1207492862 /nfs/dbraw/zinc/49/28/62/1207492862.db2.gz FBMKCBMSNBDUOR-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001188970864 1207492971 /nfs/dbraw/zinc/49/29/71/1207492971.db2.gz OGDNWPUUONIVMN-YESZJQIVSA-N 2 0 361.490 0.119 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CC(=O)NC3CCCC3)C[C@H]21 ZINC001189802336 1207610840 /nfs/dbraw/zinc/61/08/40/1207610840.db2.gz VDZLDPOODAKUMP-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001190248252 1207668125 /nfs/dbraw/zinc/66/81/25/1207668125.db2.gz ZKMRYIDCCBBMNC-OKZBNKHCSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(CN1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1)NCC1CC1 ZINC001190324184 1207675879 /nfs/dbraw/zinc/67/58/79/1207675879.db2.gz HBWADKJSSABJDQ-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220688459 1225016610 /nfs/dbraw/zinc/01/66/10/1225016610.db2.gz HIARUNXJJAURIC-MSOLQXFVSA-N 2 0 361.486 0.667 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(CCOc3cccc(F)c3)C[C@H]2O)CCC1 ZINC001193773780 1207887826 /nfs/dbraw/zinc/88/78/26/1207887826.db2.gz CUVUHVNXOBDRBF-IAGOWNOFSA-N 2 0 365.449 0.850 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C[C@H](O)c3ccc(F)cc3)C[C@H]2O)CCC1 ZINC001193774022 1207887996 /nfs/dbraw/zinc/88/79/96/1207887996.db2.gz FYGWGRXXIKWOBG-IXDOHACOSA-N 2 0 365.449 0.505 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791735 1207889363 /nfs/dbraw/zinc/88/93/63/1207889363.db2.gz QCUKHNRPQFAWBW-QRVBRYPASA-N 2 0 361.486 0.739 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)n3c(=N)sc4c3CC[C@H]([NH3+])C4)c2)CC1 ZINC001193947026 1207905209 /nfs/dbraw/zinc/90/52/09/1207905209.db2.gz JLBIAQOYAJUAFS-ZDUSSCGKSA-N 2 0 372.498 0.680 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243623 1207926587 /nfs/dbraw/zinc/92/65/87/1207926587.db2.gz AZWLTMQMPNZFOJ-KZNAEPCWSA-N 2 0 363.502 0.482 20 0 FCADRP C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961432 1207984562 /nfs/dbraw/zinc/98/45/62/1207984562.db2.gz LUFHGVALMTUOQP-ARFHVFGLSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220727544 1225037727 /nfs/dbraw/zinc/03/77/27/1225037727.db2.gz IWDVRCFRSCLGPF-JZXOWHBKSA-N 2 0 356.470 0.997 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001195973182 1208048757 /nfs/dbraw/zinc/04/87/57/1208048757.db2.gz POWUCXCTLFEMHD-JFIYKMOQSA-N 2 0 363.506 0.395 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O)CC(C)(C)C ZINC001196207892 1208065817 /nfs/dbraw/zinc/06/58/17/1208065817.db2.gz WBRXYSSGYRUUJO-QZTJIDSGSA-N 2 0 363.502 0.818 20 0 FCADRP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196799031 1208107193 /nfs/dbraw/zinc/10/71/93/1208107193.db2.gz YTDCXQAHPHIHPP-IKSUFZCESA-N 2 0 363.506 0.966 20 0 FCADRP CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197025167 1208133272 /nfs/dbraw/zinc/13/32/72/1208133272.db2.gz OYAKDNWAHVAHAG-JFIYKMOQSA-N 2 0 370.538 0.383 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001197320042 1208153375 /nfs/dbraw/zinc/15/33/75/1208153375.db2.gz UADPBSCEOOYWNU-XAWIXRBMSA-N 2 0 369.506 0.074 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001197294498 1208154237 /nfs/dbraw/zinc/15/42/37/1208154237.db2.gz AAMLFWJCXXBDAA-HYVNUMGLSA-N 2 0 369.473 0.768 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536285 1208171511 /nfs/dbraw/zinc/17/15/11/1208171511.db2.gz RBKWLGFUUJOVCH-IPMKNSEASA-N 2 0 363.502 0.483 20 0 FCADRP O=C(c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001197608972 1208176988 /nfs/dbraw/zinc/17/69/88/1208176988.db2.gz VPHUJXQDCRDXCM-QGZVFWFLSA-N 2 0 353.426 0.662 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@H]1O ZINC001197825010 1208201694 /nfs/dbraw/zinc/20/16/94/1208201694.db2.gz AHHDMSIBQBSEDD-GUDVDZBRSA-N 2 0 361.486 0.804 20 0 FCADRP CC1CCN(C(=O)CN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)CC1 ZINC001197941973 1208208065 /nfs/dbraw/zinc/20/80/65/1208208065.db2.gz SFEWQTUOSLIMNV-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001197996806 1208212542 /nfs/dbraw/zinc/21/25/42/1208212542.db2.gz HGNCUWIHHGHLMA-GVDBMIGSSA-N 2 0 368.522 0.281 20 0 FCADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690029 1208278625 /nfs/dbraw/zinc/27/86/25/1208278625.db2.gz SCCFKHDAFDUSEW-BHIYHBOVSA-N 2 0 361.486 0.625 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001198699161 1208279427 /nfs/dbraw/zinc/27/94/27/1208279427.db2.gz LOELIFLSKDVSLY-BHIYHBOVSA-N 2 0 361.486 0.359 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001199064417 1208315177 /nfs/dbraw/zinc/31/51/77/1208315177.db2.gz IQXZHZAYGUBXMI-IAGOWNOFSA-N 2 0 366.506 0.036 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129150 1208320348 /nfs/dbraw/zinc/32/03/48/1208320348.db2.gz YXYJZBFUNPNFGT-KURKYZTESA-N 2 0 363.506 0.244 20 0 FCADRP CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768510 1225062590 /nfs/dbraw/zinc/06/25/90/1225062590.db2.gz PEFAFYHUPWWTIX-MOPGFXCFSA-N 2 0 363.502 0.531 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCOC)C1 ZINC001691701248 1208417715 /nfs/dbraw/zinc/41/77/15/1208417715.db2.gz NLKZBAKDNGLCJC-RCCFBDPRSA-N 2 0 363.506 0.825 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001691703558 1208426111 /nfs/dbraw/zinc/42/61/11/1208426111.db2.gz HNNVCZCBLFNJTC-BHYGNILZSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C(=O)NC(C)(C)C ZINC001201230846 1208449069 /nfs/dbraw/zinc/44/90/69/1208449069.db2.gz XIDCGVXEPXIBMS-IIAWOOMASA-N 2 0 368.522 0.589 20 0 FCADRP CCN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569532 1208463168 /nfs/dbraw/zinc/46/31/68/1208463168.db2.gz QWXGZINSUIEYPN-XDNAFOTISA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569805 1208463286 /nfs/dbraw/zinc/46/32/86/1208463286.db2.gz ZZHZTZNLAQXCAI-XDNAFOTISA-N 2 0 362.518 0.822 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)cc1 ZINC001220789125 1225074554 /nfs/dbraw/zinc/07/45/54/1225074554.db2.gz JPHGZHPPVFZDKN-FGTMMUONSA-N 2 0 367.453 0.517 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220828897 1225092636 /nfs/dbraw/zinc/09/26/36/1225092636.db2.gz HLSRKZZETLZXOG-CVEARBPZSA-N 2 0 363.458 0.461 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[NH2+]C1 ZINC001220830481 1225094280 /nfs/dbraw/zinc/09/42/80/1225094280.db2.gz YHAKMWNCBJPVDB-JLTOFOAXSA-N 2 0 370.453 0.249 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001489526595 1208881189 /nfs/dbraw/zinc/88/11/89/1208881189.db2.gz BGNQSCHTDBRTAA-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C[NH2+]C1 ZINC001220834275 1225097529 /nfs/dbraw/zinc/09/75/29/1225097529.db2.gz QVGIOYGMORWXLT-UHFFFAOYSA-N 2 0 372.469 0.979 20 0 FCADRP COC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840541 1225101230 /nfs/dbraw/zinc/10/12/30/1225101230.db2.gz PCPWOBZLDXNJJL-GJZGRUSLSA-N 2 0 362.430 0.616 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001490033792 1209217820 /nfs/dbraw/zinc/21/78/20/1209217820.db2.gz DNOLTTTWIAGJOD-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000850863978 1209493181 /nfs/dbraw/zinc/49/31/81/1209493181.db2.gz IEMJFMPMTYIXST-AWEZNQCLSA-N 2 0 361.490 0.880 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000851691273 1209515403 /nfs/dbraw/zinc/51/54/03/1209515403.db2.gz VDRPYFMBEXIKGF-UHFFFAOYSA-N 2 0 362.518 0.827 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851935458 1209524798 /nfs/dbraw/zinc/52/47/98/1209524798.db2.gz VWNFJJBRNDODKE-NRFANRHFSA-N 2 0 374.529 0.709 20 0 FCADRP O=C(CCc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531719 /nfs/dbraw/zinc/53/17/19/1209531719.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 0 358.446 0.321 20 0 FCADRP O=C(NCC1CCN(C(=O)c2cccnc2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220927935 1225145782 /nfs/dbraw/zinc/14/57/82/1225145782.db2.gz AWUQMFMCZVMSMI-YLJYHZDGSA-N 2 0 371.485 0.249 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000852922522 1209577836 /nfs/dbraw/zinc/57/78/36/1209577836.db2.gz YQOBZROHBOJWSS-QRVBRYPASA-N 2 0 370.497 0.582 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220929992 1225146220 /nfs/dbraw/zinc/14/62/20/1225146220.db2.gz JEGADCBYUBWQON-BQFCYCMXSA-N 2 0 374.485 0.170 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853339160 1209590220 /nfs/dbraw/zinc/59/02/20/1209590220.db2.gz ITGKHOORSUBJIH-IBGZPJMESA-N 2 0 359.474 0.635 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220936380 1225148828 /nfs/dbraw/zinc/14/88/28/1225148828.db2.gz FSTWSPCNZBPIEW-VQIMIIECSA-N 2 0 371.485 0.609 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693907 1209651796 /nfs/dbraw/zinc/65/17/96/1209651796.db2.gz VHZNGDWYOQFHJK-BDXSIMOUSA-N 2 0 368.522 0.447 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001220971097 1225165963 /nfs/dbraw/zinc/16/59/63/1225165963.db2.gz TVYCCJTUYMASAE-MRXNPFEDSA-N 2 0 360.458 0.001 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972186 1225167032 /nfs/dbraw/zinc/16/70/32/1225167032.db2.gz AIXCIPYNVYHEBX-HNNXBMFYSA-N 2 0 368.522 0.755 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000861511776 1209869262 /nfs/dbraw/zinc/86/92/62/1209869262.db2.gz PGBJSPYPVZICDQ-UHFFFAOYSA-N 2 0 361.490 0.963 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1NC(=O)CC[NH+](C)C ZINC000861542654 1209870653 /nfs/dbraw/zinc/87/06/53/1209870653.db2.gz REYOWDRTEYIJSR-CYBMUJFWSA-N 2 0 363.462 0.629 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861773990 1209881686 /nfs/dbraw/zinc/88/16/86/1209881686.db2.gz UGEBFNZDNMLESF-RHSMWYFYSA-N 2 0 362.474 0.754 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1=O ZINC001220982786 1225172996 /nfs/dbraw/zinc/17/29/96/1225172996.db2.gz LNEDWFNDNZUEOL-INIZCTEOSA-N 2 0 362.449 0.942 20 0 FCADRP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665748 1210000882 /nfs/dbraw/zinc/00/08/82/1210000882.db2.gz GECVQAQCNQPANM-QZTJIDSGSA-N 2 0 371.485 0.548 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215002 1210044631 /nfs/dbraw/zinc/04/46/31/1210044631.db2.gz AFENMDJMTUBRTB-MSOLQXFVSA-N 2 0 365.522 0.271 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868304823 1210050858 /nfs/dbraw/zinc/05/08/58/1210050858.db2.gz HRSQTJSKEMLOJE-SHTZXODSSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001221006968 1225183111 /nfs/dbraw/zinc/18/31/11/1225183111.db2.gz PZKULKNPABJERJ-BZSNNMDCSA-N 2 0 358.486 0.806 20 0 FCADRP C[NH+]1CC[C@@]2(CCN(C(=O)C(F)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000868535294 1210068882 /nfs/dbraw/zinc/06/88/82/1210068882.db2.gz RBQSOUMWCVCEJF-RTBURBONSA-N 2 0 366.481 0.433 20 0 FCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000870876443 1210121233 /nfs/dbraw/zinc/12/12/33/1210121233.db2.gz BBLFNVFPGAIPGX-SQGPQFPESA-N 2 0 356.470 0.574 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037302 1225194287 /nfs/dbraw/zinc/19/42/87/1225194287.db2.gz QBXVUDDREASMIW-FUHWJXTLSA-N 2 0 362.449 0.851 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067796 1225207274 /nfs/dbraw/zinc/20/72/74/1225207274.db2.gz KVHTYRQLUIWBKM-KMIMBKNBSA-N 2 0 369.506 0.547 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073080 1225210230 /nfs/dbraw/zinc/21/02/30/1225210230.db2.gz FPHGLUAQAUSMBA-MSOLQXFVSA-N 2 0 363.506 0.483 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000876773467 1210428807 /nfs/dbraw/zinc/42/88/07/1210428807.db2.gz RJRBVVGUBAALDI-IRXDYDNUSA-N 2 0 361.490 0.910 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783953 1210431234 /nfs/dbraw/zinc/43/12/34/1210431234.db2.gz RVEBEYNRJDOVNU-MSOLQXFVSA-N 2 0 374.533 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246819 1210440633 /nfs/dbraw/zinc/44/06/33/1210440633.db2.gz QJFXOWLVJHRJSU-SFFUCWETSA-N 2 0 362.518 0.966 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000877250098 1210441372 /nfs/dbraw/zinc/44/13/72/1210441372.db2.gz FXCVAPWIMDJVCX-IBGZPJMESA-N 2 0 360.502 0.803 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)n1 ZINC001221081021 1225213381 /nfs/dbraw/zinc/21/33/81/1225213381.db2.gz BLQALCFIUVSXMI-MSOLQXFVSA-N 2 0 363.506 0.537 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC[NH2+]CC2)c1 ZINC001221096085 1225220577 /nfs/dbraw/zinc/22/05/77/1225220577.db2.gz OCIBQWOWYBHREO-INIZCTEOSA-N 2 0 360.458 0.340 20 0 FCADRP Cn1ncc2cc(C[NH2+][C@@H]3CCCN(CCN4CCOCC4)C3)cnc21 ZINC000883371582 1210664668 /nfs/dbraw/zinc/66/46/68/1210664668.db2.gz PUPRZBMEICTCHC-GOSISDBHSA-N 2 0 358.490 0.855 20 0 FCADRP Cn1ccc(-c2nc(CN3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)n1 ZINC000883439519 1210667489 /nfs/dbraw/zinc/66/74/89/1210667489.db2.gz TZUDRHFEGOWIRG-CFVMTHIKSA-N 2 0 374.470 0.911 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883606591 1210673539 /nfs/dbraw/zinc/67/35/39/1210673539.db2.gz XFRLVOSGBIJYJC-INIZCTEOSA-N 2 0 359.474 0.763 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883611553 1210675171 /nfs/dbraw/zinc/67/51/71/1210675171.db2.gz BNYXOAXKITUUKX-IIDMSEBBSA-N 2 0 371.485 0.763 20 0 FCADRP CN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1(C[NH3+])CCCCC1 ZINC000883653842 1210680456 /nfs/dbraw/zinc/68/04/56/1210680456.db2.gz LFQMAWWMYDWROU-UHFFFAOYSA-N 2 0 368.522 0.412 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883659365 1210681822 /nfs/dbraw/zinc/68/18/22/1210681822.db2.gz GQVSOADFZMKKNN-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884205782 1210722290 /nfs/dbraw/zinc/72/22/90/1210722290.db2.gz FZZJPQCUXKKUDS-SJORKVTESA-N 2 0 360.506 0.938 20 0 FCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344966 1210731606 /nfs/dbraw/zinc/73/16/06/1210731606.db2.gz TVQQKGBNBWYLKI-PMPSAXMXSA-N 2 0 365.522 0.743 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884405776 1210733804 /nfs/dbraw/zinc/73/38/04/1210733804.db2.gz CSMRRNWSAFUTEG-MRXNPFEDSA-N 2 0 360.458 0.781 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884503659 1210740250 /nfs/dbraw/zinc/74/02/50/1210740250.db2.gz PXYVNTMACFVMFI-MOPGFXCFSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000884507914 1210741023 /nfs/dbraw/zinc/74/10/23/1210741023.db2.gz PPOWACPVHNCVPO-XAUMDUMWSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884517421 1210742796 /nfs/dbraw/zinc/74/27/96/1210742796.db2.gz MVFATKCKUIHTLU-ROUUACIJSA-N 2 0 371.485 0.515 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884516605 1210743277 /nfs/dbraw/zinc/74/32/77/1210743277.db2.gz ONAJUONRIGYHMK-MRXNPFEDSA-N 2 0 367.538 0.023 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000884518366 1210743831 /nfs/dbraw/zinc/74/38/31/1210743831.db2.gz NDPUUGYENHABNV-ZWKOTPCHSA-N 2 0 374.485 0.596 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000884517893 1210744077 /nfs/dbraw/zinc/74/40/77/1210744077.db2.gz YOZMYKMWVDOCGL-UHFFFAOYSA-N 2 0 373.501 0.892 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884557584 1210751203 /nfs/dbraw/zinc/75/12/03/1210751203.db2.gz SNPWLLPRDOJRQI-CALCHBBNSA-N 2 0 357.458 0.125 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884571958 1210754058 /nfs/dbraw/zinc/75/40/58/1210754058.db2.gz BTMPNXYBBNJMMV-DSLXNQLJSA-N 2 0 370.497 0.976 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000884576685 1210754288 /nfs/dbraw/zinc/75/42/88/1210754288.db2.gz NPCVXSJXYNBCFR-SFHVURJKSA-N 2 0 360.502 0.911 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000884576569 1210754574 /nfs/dbraw/zinc/75/45/74/1210754574.db2.gz KQPHTCHHNBVJDZ-FHLIZLRMSA-N 2 0 358.486 0.888 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577431 1210755683 /nfs/dbraw/zinc/75/56/83/1210755683.db2.gz FFQQPFFSGGHYMY-HOTGVXAUSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884592451 1210757936 /nfs/dbraw/zinc/75/79/36/1210757936.db2.gz OCOXBGVLUHSGHL-YSHGAJCASA-N 2 0 370.497 0.976 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884598329 1210758723 /nfs/dbraw/zinc/75/87/23/1210758723.db2.gz YKBJSDGRQNHKEZ-SFHVURJKSA-N 2 0 374.485 0.046 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598319 1210759137 /nfs/dbraw/zinc/75/91/37/1210759137.db2.gz YGOWKOGRRCJZNI-CABCVRRESA-N 2 0 374.476 0.976 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884601573 1210759743 /nfs/dbraw/zinc/75/97/43/1210759743.db2.gz PQKJMVMSVLNVEW-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884601572 1210760149 /nfs/dbraw/zinc/76/01/49/1210760149.db2.gz PQKJMVMSVLNVEW-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884639685 1210769476 /nfs/dbraw/zinc/76/94/76/1210769476.db2.gz GVQXDSSRWUFQHH-CVEARBPZSA-N 2 0 364.490 0.101 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884645954 1210772085 /nfs/dbraw/zinc/77/20/85/1210772085.db2.gz BDJZIARNHQXLGY-BGTYHANMSA-N 2 0 356.470 0.728 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884646283 1210772363 /nfs/dbraw/zinc/77/23/63/1210772363.db2.gz NXNHRXUJJOFZNN-CGTJXYLNSA-N 2 0 358.486 0.976 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884646284 1210772509 /nfs/dbraw/zinc/77/25/09/1210772509.db2.gz NXNHRXUJJOFZNN-JQHSSLGASA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C[NH+]1CCCC1 ZINC000884668858 1210775191 /nfs/dbraw/zinc/77/51/91/1210775191.db2.gz FQYHMYYPAGXFHL-SJLPKXTDSA-N 2 0 360.502 0.911 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000884669699 1210775528 /nfs/dbraw/zinc/77/55/28/1210775528.db2.gz DNAKBYOYJDOBHC-KURKYZTESA-N 2 0 358.486 0.806 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCCC1 ZINC000884670085 1210776233 /nfs/dbraw/zinc/77/62/33/1210776233.db2.gz ORTNOJFZULFWEE-CRAIPNDOSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NC3CC[NH2+]CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884675197 1210777564 /nfs/dbraw/zinc/77/75/64/1210777564.db2.gz VKZDLWAEZVHXHW-LAUBAEHRSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884678195 1210778160 /nfs/dbraw/zinc/77/81/60/1210778160.db2.gz RMSKONMRLSATKS-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884687619 1210781685 /nfs/dbraw/zinc/78/16/85/1210781685.db2.gz CEOFUNCKMTWSGL-ZWKOTPCHSA-N 2 0 358.486 0.693 20 0 FCADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000884703982 1210782964 /nfs/dbraw/zinc/78/29/64/1210782964.db2.gz QYLLVNMVLQZRFK-WBVHZDCISA-N 2 0 362.474 0.166 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694347 1210783131 /nfs/dbraw/zinc/78/31/31/1210783131.db2.gz JXPOIRBRXKRTGG-QZTJIDSGSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000884710102 1210786197 /nfs/dbraw/zinc/78/61/97/1210786197.db2.gz YVERHYNDURLDHT-YOEHRIQHSA-N 2 0 359.474 0.752 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000884721695 1210788959 /nfs/dbraw/zinc/78/89/59/1210788959.db2.gz RALZOVYHOYIXBE-GOSISDBHSA-N 2 0 356.470 0.721 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000884775669 1210793256 /nfs/dbraw/zinc/79/32/56/1210793256.db2.gz IMENAZFCHSWTIN-FHWLQOOXSA-N 2 0 370.497 0.950 20 0 FCADRP CN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1(C[NH3+])CCCCC1 ZINC000884786954 1210794926 /nfs/dbraw/zinc/79/49/26/1210794926.db2.gz BEEHFQLQZYDTBI-INIZCTEOSA-N 2 0 366.506 0.476 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000884791134 1210796518 /nfs/dbraw/zinc/79/65/18/1210796518.db2.gz RBWCJEZNEWATFT-NLGTXKQRSA-N 2 0 353.426 0.609 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833004 1210800121 /nfs/dbraw/zinc/80/01/21/1210800121.db2.gz DVGQQFNNXRDSRA-OWYHZJEWSA-N 2 0 370.497 0.691 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838230 1210800826 /nfs/dbraw/zinc/80/08/26/1210800826.db2.gz FFAIKDQUSIMFQF-MRXNPFEDSA-N 2 0 358.486 0.938 20 0 FCADRP CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884885642 1210802885 /nfs/dbraw/zinc/80/28/85/1210802885.db2.gz AVXNQNZCLIHYMC-AEFFLSMTSA-N 2 0 358.486 0.758 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000884886007 1210802972 /nfs/dbraw/zinc/80/29/72/1210802972.db2.gz GGZGUFUTRMZHQR-MSOLQXFVSA-N 2 0 358.486 0.759 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000884910742 1210803500 /nfs/dbraw/zinc/80/35/00/1210803500.db2.gz DHONYXONBBQCPV-BRWVUGGUSA-N 2 0 366.506 0.191 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000884982978 1210806532 /nfs/dbraw/zinc/80/65/32/1210806532.db2.gz LVEGQHKMRRZGLM-OHTSDLOESA-N 2 0 356.470 0.635 20 0 FCADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000884976233 1210806601 /nfs/dbraw/zinc/80/66/01/1210806601.db2.gz MUPCOTMWMBIXNP-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000884983730 1210806913 /nfs/dbraw/zinc/80/69/13/1210806913.db2.gz UZEGJICYHFQLGB-KRWDZBQOSA-N 2 0 358.486 0.896 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000884983465 1210806926 /nfs/dbraw/zinc/80/69/26/1210806926.db2.gz SHVVYRIVTKXBBA-PXNSSMCTSA-N 2 0 358.486 0.883 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000884986384 1210807437 /nfs/dbraw/zinc/80/74/37/1210807437.db2.gz OQJFMUUPZPYANR-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150410 1210812471 /nfs/dbraw/zinc/81/24/71/1210812471.db2.gz VRFFSLNTLLSEJB-CVEARBPZSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150413 1210812538 /nfs/dbraw/zinc/81/25/38/1210812538.db2.gz VRFFSLNTLLSEJB-JKSUJKDBSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885163187 1210814436 /nfs/dbraw/zinc/81/44/36/1210814436.db2.gz XZTISUHTAZBPDB-QZTJIDSGSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000885167256 1210814440 /nfs/dbraw/zinc/81/44/40/1210814440.db2.gz LFTMMTBAJSHZMB-OALUTQOASA-N 2 0 370.497 0.904 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167673 1210814621 /nfs/dbraw/zinc/81/46/21/1210814621.db2.gz ORSYMDMASDIFID-MSOLQXFVSA-N 2 0 358.486 0.758 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC001691719349 1210843159 /nfs/dbraw/zinc/84/31/59/1210843159.db2.gz CTIOAOWYUNUKAP-VYDXJSESSA-N 2 0 357.495 0.074 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000887061204 1210844039 /nfs/dbraw/zinc/84/40/39/1210844039.db2.gz NSIZMXRYFPJFFL-CEXWTWQISA-N 2 0 370.497 0.774 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887067932 1210845289 /nfs/dbraw/zinc/84/52/89/1210845289.db2.gz BYZAPWITFODNBW-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887068286 1210845302 /nfs/dbraw/zinc/84/53/02/1210845302.db2.gz IUEWERYWTACZLR-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887070912 1210845898 /nfs/dbraw/zinc/84/58/98/1210845898.db2.gz VYZDENCUPCMHKI-RTBURBONSA-N 2 0 372.513 0.972 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081100 1210846399 /nfs/dbraw/zinc/84/63/99/1210846399.db2.gz LNTPAAWGDVSZCN-WOJBJXKFSA-N 2 0 362.518 0.923 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887091492 1210847176 /nfs/dbraw/zinc/84/71/76/1210847176.db2.gz MHOCWHZEWLUEAS-NVXWUHKLSA-N 2 0 361.490 0.951 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C4(C)CC[NH+](C)CC4)(C2)C3)CC1 ZINC001274083222 1210875372 /nfs/dbraw/zinc/87/53/72/1210875372.db2.gz AYDVPLAEHBIXJC-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090879 1210878769 /nfs/dbraw/zinc/87/87/69/1210878769.db2.gz LPHBOVDBNQCMGW-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134545 1210966655 /nfs/dbraw/zinc/96/66/55/1210966655.db2.gz ZVHATPZGCRWEIH-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2 ZINC001274419043 1211050105 /nfs/dbraw/zinc/05/01/05/1211050105.db2.gz PQDUESQEUJWZFF-FGTMMUONSA-N 2 0 359.474 0.137 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC[NH+](CCn3ccnc3)C2)CC1 ZINC001274908041 1211141293 /nfs/dbraw/zinc/14/12/93/1211141293.db2.gz JLVXFDVMOZMKRL-IRXDYDNUSA-N 2 0 361.490 0.263 20 0 FCADRP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221202416 1225267091 /nfs/dbraw/zinc/26/70/91/1225267091.db2.gz ZVWWCMLGNFDXJL-SJLPKXTDSA-N 2 0 374.460 0.851 20 0 FCADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068636 1211173344 /nfs/dbraw/zinc/17/33/44/1211173344.db2.gz JTKWMASBEHORPG-AZUAARDMSA-N 2 0 366.550 0.973 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275171646 1211188189 /nfs/dbraw/zinc/18/81/89/1211188189.db2.gz LHIHKQMYAFLTCR-QRQLOZEOSA-N 2 0 360.506 0.707 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001275178266 1211190823 /nfs/dbraw/zinc/19/08/23/1211190823.db2.gz WDWFPONWKXAZTD-QGZVFWFLSA-N 2 0 360.506 0.053 20 0 FCADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275325816 1211215437 /nfs/dbraw/zinc/21/54/37/1211215437.db2.gz REVNJMKMANAWFH-WSTZPKSXSA-N 2 0 364.534 0.583 20 0 FCADRP COC(CN1C[C@]2(CCN(CCC[NH+]3CCCCC3)C2)OCC1=O)OC ZINC001275341669 1211217683 /nfs/dbraw/zinc/21/76/83/1211217683.db2.gz QNSUWGLKGSOZBD-LJQANCHMSA-N 2 0 369.506 0.785 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)OCC1=O ZINC001275504305 1211251205 /nfs/dbraw/zinc/25/12/05/1211251205.db2.gz LVIBWPVUYHLJCP-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP COCCOCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275557009 1211257033 /nfs/dbraw/zinc/25/70/33/1211257033.db2.gz SAVCBOZQHQRBBO-IBGZPJMESA-N 2 0 369.506 0.500 20 0 FCADRP COc1cc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1O ZINC001275641226 1211267131 /nfs/dbraw/zinc/26/71/31/1211267131.db2.gz FWUURVYYIYFFCO-LJQANCHMSA-N 2 0 363.458 0.766 20 0 FCADRP CCN(CC)C(=O)CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736108 1211278193 /nfs/dbraw/zinc/27/81/93/1211278193.db2.gz AYRUZTZKPADUIJ-IBGZPJMESA-N 2 0 366.506 0.158 20 0 FCADRP COC[C@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275736850 1211278965 /nfs/dbraw/zinc/27/89/65/1211278965.db2.gz HUTOVZSYDYCIRC-VQIMIIECSA-N 2 0 367.490 0.631 20 0 FCADRP CC(C)OC(=O)CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738031 1211279240 /nfs/dbraw/zinc/27/92/40/1211279240.db2.gz RUITYRNBZZDGRU-LJQANCHMSA-N 2 0 367.490 0.489 20 0 FCADRP COCCOCN1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743688 1211279994 /nfs/dbraw/zinc/27/99/94/1211279994.db2.gz UTFCEYLQNDQNLR-LJQANCHMSA-N 2 0 369.506 0.642 20 0 FCADRP CCNC(=O)CN1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743401 1211280106 /nfs/dbraw/zinc/28/01/06/1211280106.db2.gz QMJJIRAJRULDDD-LJQANCHMSA-N 2 0 366.506 0.158 20 0 FCADRP COC(CN1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275743397 1211280139 /nfs/dbraw/zinc/28/01/39/1211280139.db2.gz QJQKNYBAWBIQMJ-LJQANCHMSA-N 2 0 369.506 0.641 20 0 FCADRP O=C(C[N@H+]1CC[C@H](O)C1)N1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800809 1211285678 /nfs/dbraw/zinc/28/56/78/1211285678.db2.gz HIJWHIPFGXBVSH-KSZLIROESA-N 2 0 361.490 0.120 20 0 FCADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)C[N@@H+]2CC[C@@H](O)C2)n(C)n1 ZINC001275800645 1211286054 /nfs/dbraw/zinc/28/60/54/1211286054.db2.gz GQXDJYPWKRVTJF-YCXXCVGLSA-N 2 0 361.490 0.407 20 0 FCADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(CC[NH+](CCn3ccnc3)C2)CC1 ZINC001275801676 1211286366 /nfs/dbraw/zinc/28/63/66/1211286366.db2.gz TYSUCZKZHATXIG-QGZVFWFLSA-N 2 0 361.490 0.264 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000363477415 1211294393 /nfs/dbraw/zinc/29/43/93/1211294393.db2.gz VUJQKPVOWKLLMA-SJORKVTESA-N 2 0 363.506 0.563 20 0 FCADRP CN(C)C(=O)CCN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881249 1211305095 /nfs/dbraw/zinc/30/50/95/1211305095.db2.gz XUAHMCUVLMXDLE-APWZRJJASA-N 2 0 366.506 0.110 20 0 FCADRP COc1ccncc1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275929329 1211311193 /nfs/dbraw/zinc/31/11/93/1211311193.db2.gz AWFFCKMJGRZGIS-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC3(C2)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)O3)CC1 ZINC001275942005 1211313334 /nfs/dbraw/zinc/31/33/34/1211313334.db2.gz WGKXRAABNQVTSW-HNNXBMFYSA-N 2 0 364.490 0.051 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(Cc3cn4ccncc4n3)C2)OCC1=O ZINC001275956681 1211317009 /nfs/dbraw/zinc/31/70/09/1211317009.db2.gz KOBRNRGGBWMMKS-SFHVURJKSA-N 2 0 358.446 0.094 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001276057338 1211342496 /nfs/dbraw/zinc/34/24/96/1211342496.db2.gz OYOGQDJALAFVHC-BBWFWOEESA-N 2 0 364.534 0.975 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001276057641 1211343512 /nfs/dbraw/zinc/34/35/12/1211343512.db2.gz YZSINTZDESXEGJ-PDOICOKGSA-N 2 0 364.534 0.975 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001221253974 1225282162 /nfs/dbraw/zinc/28/21/62/1225282162.db2.gz CXQMQMATQJGEBK-BZSNNMDCSA-N 2 0 358.486 0.534 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)NC[C@@H]3CC[N@H+](C)C3)cc(=O)oc2c1 ZINC001221254099 1225282431 /nfs/dbraw/zinc/28/24/31/1225282431.db2.gz FKUIUMWVYYUFBH-LRDDRELGSA-N 2 0 359.426 0.739 20 0 FCADRP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001276181373 1211374625 /nfs/dbraw/zinc/37/46/25/1211374625.db2.gz WKAJEPFIEXGDBX-LJQANCHMSA-N 2 0 363.506 0.885 20 0 FCADRP CC(C)CCC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276258501 1211395657 /nfs/dbraw/zinc/39/56/57/1211395657.db2.gz CKHOOQKHNXNKRR-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP NC(=O)c1c[nH+]ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000546573349 1211437451 /nfs/dbraw/zinc/43/74/51/1211437451.db2.gz FUDHCIKEZNHLEH-UHFFFAOYSA-N 2 0 355.446 0.407 20 0 FCADRP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001095662614 1211439134 /nfs/dbraw/zinc/43/91/34/1211439134.db2.gz JGJLROHYQRNNKM-ZCPGHIKRSA-N 2 0 353.426 0.866 20 0 FCADRP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000926127129 1211516791 /nfs/dbraw/zinc/51/67/91/1211516791.db2.gz TUNTXPDJVKUFMF-ZWKOTPCHSA-N 2 0 359.470 0.638 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926315027 1211529883 /nfs/dbraw/zinc/52/98/83/1211529883.db2.gz GGRDQYJPSZINBA-INIZCTEOSA-N 2 0 364.465 0.913 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(-c2ccccc2F)no1 ZINC001221322407 1225297922 /nfs/dbraw/zinc/29/79/22/1225297922.db2.gz CJNLLJIFMBMGKV-INIZCTEOSA-N 2 0 361.421 0.847 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632159 1211576098 /nfs/dbraw/zinc/57/60/98/1211576098.db2.gz XEBJXVKKBZJCSU-GOEBONIOSA-N 2 0 367.494 0.001 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110959740 1211615531 /nfs/dbraw/zinc/61/55/31/1211615531.db2.gz ZNCCWDOUSPJSGW-VQHPVUNQSA-N 2 0 366.506 0.033 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976199 1211653469 /nfs/dbraw/zinc/65/34/69/1211653469.db2.gz GMIIXGBASOJQBS-XDNAFOTISA-N 2 0 369.506 0.074 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221390762 1225305381 /nfs/dbraw/zinc/30/53/81/1225305381.db2.gz HSBOCLYLNNTFEU-OXQOHEQNSA-N 3 0 372.517 0.776 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221398534 1225305965 /nfs/dbraw/zinc/30/59/65/1225305965.db2.gz DAXCUBVEPCZTPG-INIZCTEOSA-N 2 0 352.442 0.331 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221414729 1225307522 /nfs/dbraw/zinc/30/75/22/1225307522.db2.gz SFWQRHSHBDQKMN-FGTMMUONSA-N 2 0 354.454 0.603 20 0 FCADRP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931485194 1211757763 /nfs/dbraw/zinc/75/77/63/1211757763.db2.gz AATPQGDWSSXATD-CVEARBPZSA-N 2 0 369.506 0.565 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001111023545 1211796575 /nfs/dbraw/zinc/79/65/75/1211796575.db2.gz PCKJIQRTFCMEAR-OAFZBRQQSA-N 2 0 371.497 0.929 20 0 FCADRP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935365655 1211876710 /nfs/dbraw/zinc/87/67/10/1211876710.db2.gz KBTIIRJHLLPJGO-BBWFWOEESA-N 2 0 368.522 0.325 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2c[nH]ccc-2n1 ZINC000935800463 1211884176 /nfs/dbraw/zinc/88/41/76/1211884176.db2.gz VIKNSAFQSUQUOK-UHFFFAOYSA-N 2 0 359.430 0.426 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)cc2)[nH]1 ZINC000566972524 1211901310 /nfs/dbraw/zinc/90/13/10/1211901310.db2.gz GWVRIZJPIUKMEP-ZDUSSCGKSA-N 2 0 367.417 0.526 20 0 FCADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)cc2)[nH]1 ZINC000566972523 1211901412 /nfs/dbraw/zinc/90/14/12/1211901412.db2.gz GWVRIZJPIUKMEP-CYBMUJFWSA-N 2 0 367.417 0.526 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001095769493 1211981950 /nfs/dbraw/zinc/98/19/50/1211981950.db2.gz QMCAAROIYOXYBP-IKGGRYGDSA-N 2 0 359.474 0.926 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)ccc2c[nH+]cn21 ZINC000968545942 1212020280 /nfs/dbraw/zinc/02/02/80/1212020280.db2.gz UHQIFHQYHPAFSU-IKGGRYGDSA-N 2 0 371.441 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000947964382 1212105226 /nfs/dbraw/zinc/10/52/26/1212105226.db2.gz DPICHKSEZIDAKS-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000948385093 1212165172 /nfs/dbraw/zinc/16/51/72/1212165172.db2.gz IXDHBLTUYRRUED-IXDOHACOSA-N 2 0 365.522 0.665 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281240 1212233194 /nfs/dbraw/zinc/23/31/94/1212233194.db2.gz JTVGBYXMHVMEIM-XDNAFOTISA-N 2 0 371.522 0.320 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000949197549 1212321197 /nfs/dbraw/zinc/32/11/97/1212321197.db2.gz WOWNBAHLDTVDSQ-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]cn2)C3)C1 ZINC001007480228 1212502255 /nfs/dbraw/zinc/50/22/55/1212502255.db2.gz SJKJPUYWHWIZHK-VCBZYWHSSA-N 2 0 359.474 0.791 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001007479880 1212502353 /nfs/dbraw/zinc/50/23/53/1212502353.db2.gz OKZYADNHAFOJOU-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950673585 1212626766 /nfs/dbraw/zinc/62/67/66/1212626766.db2.gz BMDJDUPKICZCBR-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616968 1225400075 /nfs/dbraw/zinc/40/00/75/1225400075.db2.gz YCMREBLBKXXOKE-KZNAEPCWSA-N 2 0 366.506 0.012 20 0 FCADRP Cc1nccn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000953952559 1213027235 /nfs/dbraw/zinc/02/72/35/1213027235.db2.gz WJOZDDMWIVQQKV-RHSMWYFYSA-N 2 0 361.490 0.981 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954278823 1213054299 /nfs/dbraw/zinc/05/42/99/1213054299.db2.gz PTIPIMWGZASVGE-DJIMGWMZSA-N 2 0 366.506 0.248 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000954846009 1213114166 /nfs/dbraw/zinc/11/41/66/1213114166.db2.gz GBOBLIRUPCFFIC-UKRRQHHQSA-N 2 0 359.474 0.771 20 0 FCADRP C[NH2+]Cc1cn(CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)nn1 ZINC000641119544 1213213679 /nfs/dbraw/zinc/21/36/79/1213213679.db2.gz RNGFLFZNUJZBFI-UHFFFAOYSA-N 2 0 372.473 0.741 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788131 1213215988 /nfs/dbraw/zinc/21/59/88/1213215988.db2.gz ROALVTWNYXLWCP-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000957166316 1213272210 /nfs/dbraw/zinc/27/22/10/1213272210.db2.gz MIAJOSXQBKPLEL-CLCXKQKWSA-N 2 0 359.474 0.962 20 0 FCADRP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276337419 1213418626 /nfs/dbraw/zinc/41/86/26/1213418626.db2.gz CMOQCCDFFMXWFY-LJQANCHMSA-N 2 0 369.506 0.973 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)CCC1 ZINC000960411613 1213746116 /nfs/dbraw/zinc/74/61/16/1213746116.db2.gz ZYJPEEVLMUZQOE-JKSUJKDBSA-N 2 0 364.490 0.005 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001010683531 1213808154 /nfs/dbraw/zinc/80/81/54/1213808154.db2.gz WCYUAJADPFYTPS-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21)C1CCC1 ZINC000960534851 1213808587 /nfs/dbraw/zinc/80/85/87/1213808587.db2.gz NKROSPCGJSLNIM-DLBZAZTESA-N 2 0 364.490 0.005 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1)[NH+](C)C ZINC000960575357 1213826812 /nfs/dbraw/zinc/82/68/12/1213826812.db2.gz IDBUZZQVZDRJRO-YESZJQIVSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CCC[NH+]2C)C3)CC[N@@H+]1C ZINC001013979417 1213913739 /nfs/dbraw/zinc/91/37/39/1213913739.db2.gz GRWHDUOHFMXAFZ-SNCNAIARSA-N 2 0 362.518 0.964 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813463 1225489039 /nfs/dbraw/zinc/48/90/39/1225489039.db2.gz KFUXJJZDGJLLIH-CGTJXYLNSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001019070594 1214190620 /nfs/dbraw/zinc/19/06/20/1214190620.db2.gz VEULSCLKMLMOCT-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001019108287 1214198301 /nfs/dbraw/zinc/19/83/01/1214198301.db2.gz LIVJUNWCDOBORZ-DJIMGWMZSA-N 2 0 362.518 0.728 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000419707130 1214269523 /nfs/dbraw/zinc/26/95/23/1214269523.db2.gz FAEATISNAQTAJK-FQEVSTJZSA-N 2 0 358.486 0.761 20 0 FCADRP CCn1c(C)nnc1C[NH2+]CC1CC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000961988272 1214392931 /nfs/dbraw/zinc/39/29/31/1214392931.db2.gz FFITUNDYXZJYGP-TWRYWWQQSA-N 2 0 364.494 0.310 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221944976 1225546077 /nfs/dbraw/zinc/54/60/77/1225546077.db2.gz CUSDTHUZTWDCAS-RCCFBDPRSA-N 2 0 366.506 0.014 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936617 1225542659 /nfs/dbraw/zinc/54/26/59/1225542659.db2.gz MWKCNIHCCOWECC-GUDVDZBRSA-N 2 0 365.518 0.648 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221950293 1225549089 /nfs/dbraw/zinc/54/90/89/1225549089.db2.gz AGKILXPOVKZUFL-FGTMMUONSA-N 2 0 369.506 0.293 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221969097 1225556921 /nfs/dbraw/zinc/55/69/21/1225556921.db2.gz QEULQKKTGZVCNE-FGTMMUONSA-N 2 0 371.522 0.275 20 0 FCADRP O=C(NC1CC2(C1)CC([NH2+]CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000964016651 1214887119 /nfs/dbraw/zinc/88/71/19/1214887119.db2.gz PQQSSBSHIRMEPC-BSGOTLCWSA-N 2 0 355.446 0.822 20 0 FCADRP CC[C@H](C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC000965409899 1215060551 /nfs/dbraw/zinc/06/05/51/1215060551.db2.gz RDSYLPQJAPPVDB-BZUAXINKSA-N 2 0 366.506 0.107 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC3CC3)C[C@H]21 ZINC001222050694 1225591315 /nfs/dbraw/zinc/59/13/15/1225591315.db2.gz CWALNBMHSAXCTG-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP O=C1NCC[C@]12C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222527658 1225630519 /nfs/dbraw/zinc/63/05/19/1225630519.db2.gz OGPABEDMBIUIDU-NRFANRHFSA-N 3 0 365.481 0.656 20 0 FCADRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1)[NH+](C)C ZINC001055651610 1215899103 /nfs/dbraw/zinc/89/91/03/1215899103.db2.gz SQTILYLXWDWYJW-HYVNUMGLSA-N 2 0 368.522 0.591 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)[C@@H](c2ccccc2)C1 ZINC001050675083 1216348520 /nfs/dbraw/zinc/34/85/20/1216348520.db2.gz GNSGBKPWTNSSDD-MSOLQXFVSA-N 2 0 370.497 0.742 20 0 FCADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625285 1216470307 /nfs/dbraw/zinc/47/03/07/1216470307.db2.gz YLHUMRZCZAIQCC-FVQBIDKESA-N 2 0 363.462 0.142 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057741426 1216532448 /nfs/dbraw/zinc/53/24/48/1216532448.db2.gz SDWNSJISFSRMLS-ZACQAIPSSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001058038697 1216623942 /nfs/dbraw/zinc/62/39/42/1216623942.db2.gz DNPAMZQYXOPFJY-BBWFWOEESA-N 2 0 368.522 0.138 20 0 FCADRP CC1(C)CN(C/C=C\CN2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682035596 1216656194 /nfs/dbraw/zinc/65/61/94/1216656194.db2.gz NKRZZFZMERJAOE-WAYWQWQTSA-N 2 0 368.566 0.320 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979449 1216881476 /nfs/dbraw/zinc/88/14/76/1216881476.db2.gz HMUINZIYKAJBGQ-XYPHTWIQSA-N 2 0 369.429 0.616 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069980011 1216881922 /nfs/dbraw/zinc/88/19/22/1216881922.db2.gz XPRCXIYKTCSGJF-XKQJLSEDSA-N 2 0 369.429 0.616 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006062 1216893278 /nfs/dbraw/zinc/89/32/78/1216893278.db2.gz BCXYNZIBPUJWOU-ZACQAIPSSA-N 2 0 364.494 0.124 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506070 1225712097 /nfs/dbraw/zinc/71/20/97/1225712097.db2.gz XJPBPFCOCXUHKC-JZXOWHBKSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223697721 1225727664 /nfs/dbraw/zinc/72/76/64/1225727664.db2.gz ILGAGGUPEROXRL-SQNIBIBYSA-N 2 0 363.506 0.509 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042738937 1217450473 /nfs/dbraw/zinc/45/04/73/1217450473.db2.gz RLGAOUXFGBYFHD-IPELMVKDSA-N 2 0 365.518 0.912 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939972 1225752404 /nfs/dbraw/zinc/75/24/04/1225752404.db2.gz LXGAWQDKKUXVTN-HXUWFJFHSA-N 2 0 364.534 0.870 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128916 1225759064 /nfs/dbraw/zinc/75/90/64/1225759064.db2.gz ABVFINNKYIUACS-KURKYZTESA-N 2 0 369.506 0.029 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900207049 1217971194 /nfs/dbraw/zinc/97/11/94/1217971194.db2.gz JUSIZZRAFNNJKQ-UHFFFAOYSA-N 2 0 365.478 0.450 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602736 1218011285 /nfs/dbraw/zinc/01/12/85/1218011285.db2.gz RUEPLBLPTATHJL-OALUTQOASA-N 2 0 366.550 0.850 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)[C@H]2c1ccccc1 ZINC001276982016 1225784812 /nfs/dbraw/zinc/78/48/12/1225784812.db2.gz JPVUBXCGELFNPB-SFHVURJKSA-N 2 0 358.486 0.960 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000900697829 1218026565 /nfs/dbraw/zinc/02/65/65/1218026565.db2.gz DIVYEYIAIBEWFI-UHFFFAOYSA-N 2 0 367.582 0.936 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000900696821 1218027291 /nfs/dbraw/zinc/02/72/91/1218027291.db2.gz ZXJDDEUSPXLNSP-UHFFFAOYSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900807570 1218041121 /nfs/dbraw/zinc/04/11/21/1218041121.db2.gz UQPBALWLYHZGRI-YLJYHZDGSA-N 2 0 373.545 0.798 20 0 FCADRP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000900899995 1218051011 /nfs/dbraw/zinc/05/10/11/1218051011.db2.gz UWHVGURJJGPRAD-OAQYLSRUSA-N 2 0 373.497 0.850 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)n1 ZINC001096348139 1218255637 /nfs/dbraw/zinc/25/56/37/1218255637.db2.gz CSZKKHJQLJRODH-MHORFTMASA-N 2 0 360.506 0.958 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001225345659 1225807282 /nfs/dbraw/zinc/80/72/82/1225807282.db2.gz CEUWZXREEQOJGO-RBSFLKMASA-N 2 0 365.478 0.040 20 0 FCADRP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cn(C)nn1 ZINC000902865346 1218319866 /nfs/dbraw/zinc/31/98/66/1218319866.db2.gz JYKKAJHNIZWYMK-CABCVRRESA-N 2 0 372.477 0.761 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829019 1218322613 /nfs/dbraw/zinc/32/26/13/1218322613.db2.gz FOOWSHSSKOITGY-ZJPYXAASSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000902881333 1218325494 /nfs/dbraw/zinc/32/54/94/1218325494.db2.gz OLSUVKFXLMQBLR-UHFFFAOYSA-N 2 0 356.430 0.541 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(N)ccnc3F)C2)C1=O ZINC001277054223 1225815537 /nfs/dbraw/zinc/81/55/37/1225815537.db2.gz DRPWBFZDZRIOPG-SFHVURJKSA-N 2 0 363.437 0.706 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541323 1218428404 /nfs/dbraw/zinc/42/84/04/1218428404.db2.gz NCJNIGWCZKTFCE-IXDOHACOSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H](c1nc(N)nc(N(C)C)n1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507113 1218431296 /nfs/dbraw/zinc/43/12/96/1218431296.db2.gz NLHYGVQKAZLCHH-AEGPPILISA-N 2 0 360.510 0.481 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC000903777822 1218523615 /nfs/dbraw/zinc/52/36/15/1218523615.db2.gz DBQURFCAYGQIAW-IFXJQAMLSA-N 2 0 357.458 0.506 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225962011 1225829656 /nfs/dbraw/zinc/82/96/56/1225829656.db2.gz UPDHHSLSOLCXPI-ARFHVFGLSA-N 2 0 368.478 0.383 20 0 FCADRP O=C(CCc1ncc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001225969627 1225829731 /nfs/dbraw/zinc/82/97/31/1225829731.db2.gz OBNBXMPCMSDOJM-BZUAXINKSA-N 2 0 360.462 0.617 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1ccc2c[nH+]cn2c1 ZINC001097549091 1218817306 /nfs/dbraw/zinc/81/73/06/1218817306.db2.gz FNLZUQQMTCCPFR-OIISXLGYSA-N 2 0 351.414 0.961 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1)C1CC1 ZINC001226801132 1225854830 /nfs/dbraw/zinc/85/48/30/1225854830.db2.gz SUKSLHRQEDVRMU-CPUCHLNUSA-N 2 0 363.462 0.970 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055578284 1219085629 /nfs/dbraw/zinc/08/56/29/1219085629.db2.gz LYJFYGNRTUXJCE-RZQQEMMASA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055580288 1219086121 /nfs/dbraw/zinc/08/61/21/1219086121.db2.gz BXPWJGMMPPVAOI-RCCFBDPRSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001055583527 1219088483 /nfs/dbraw/zinc/08/84/83/1219088483.db2.gz REXSOPQTCHJHIG-HLLBOEOZSA-N 2 0 366.506 0.060 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000804058143 1219112016 /nfs/dbraw/zinc/11/20/16/1219112016.db2.gz SZBIUWBOELAWBT-YESZJQIVSA-N 2 0 364.490 0.053 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000804058141 1219112118 /nfs/dbraw/zinc/11/21/18/1219112118.db2.gz SZBIUWBOELAWBT-IXDOHACOSA-N 2 0 364.490 0.053 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070132670 1219207004 /nfs/dbraw/zinc/20/70/04/1219207004.db2.gz NMAHTUNOIPSAFY-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001227454821 1225875680 /nfs/dbraw/zinc/87/56/80/1225875680.db2.gz VKVQJFSOZHHVCU-OKZBNKHCSA-N 2 0 371.522 0.321 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227484030 1225877188 /nfs/dbraw/zinc/87/71/88/1225877188.db2.gz ZGIVGXFBGKPVQO-ZIAGYGMSSA-N 2 0 358.402 0.160 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209021 1219294913 /nfs/dbraw/zinc/29/49/13/1219294913.db2.gz JAVPEPPHIKJYST-IKGGRYGDSA-N 2 0 364.469 0.996 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1 ZINC001070281247 1219346409 /nfs/dbraw/zinc/34/64/09/1219346409.db2.gz MWMHXRCYXRJWOG-HCXYKTFWSA-N 2 0 368.485 0.985 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001070292120 1219353225 /nfs/dbraw/zinc/35/32/25/1219353225.db2.gz HHMSQLMLTUEACB-CVEARBPZSA-N 2 0 360.466 0.102 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070372812 1219402340 /nfs/dbraw/zinc/40/23/40/1219402340.db2.gz IKTPQMLAXQLGCG-NUJGCVRESA-N 2 0 368.497 0.916 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070378197 1219404967 /nfs/dbraw/zinc/40/49/67/1219404967.db2.gz DJIUSQXVQGWHJJ-GMBSWORKSA-N 2 0 368.497 0.773 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001070567856 1219473435 /nfs/dbraw/zinc/47/34/35/1219473435.db2.gz KYAQAEKUTVDQIR-CGTJXYLNSA-N 2 0 363.506 0.417 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CCC[NH+]3CCC4)n2)O1 ZINC001070574694 1219476202 /nfs/dbraw/zinc/47/62/02/1219476202.db2.gz RDHGLOMTCJBBRW-UONOGXRCSA-N 2 0 362.478 0.879 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070663174 1219514270 /nfs/dbraw/zinc/51/42/70/1219514270.db2.gz QLRROQSGLLEYOH-BRWVUGGUSA-N 2 0 363.506 0.417 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255040 1225905258 /nfs/dbraw/zinc/90/52/58/1225905258.db2.gz NOBMQMRDAOCLMH-HUUCEWRRSA-N 2 0 369.510 0.581 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001098675702 1219809995 /nfs/dbraw/zinc/80/99/95/1219809995.db2.gz GAZLEGKHQYYFDS-YESZJQIVSA-N 2 0 364.494 0.254 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000750120224 1219858508 /nfs/dbraw/zinc/85/85/08/1219858508.db2.gz QQZCIRDMPGUORI-YRPNKDGESA-N 2 0 368.566 0.294 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CC2)C3)CC[N@@H+]1C ZINC001098996541 1219884244 /nfs/dbraw/zinc/88/42/44/1219884244.db2.gz PDSKISJUARDEBJ-ULMVMLMRSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099008271 1219887457 /nfs/dbraw/zinc/88/74/57/1219887457.db2.gz GEQCQGKDLVZIAG-IIMJZQEZSA-N 2 0 362.518 0.966 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001099007995 1219887731 /nfs/dbraw/zinc/88/77/31/1219887731.db2.gz BYUSETXEMFMUMJ-JXFKEZNVSA-N 2 0 362.518 0.920 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCCNC2=O)C3)CC1 ZINC001099094013 1219909726 /nfs/dbraw/zinc/90/97/26/1219909726.db2.gz PXYOXJCYUOTQJF-ZWOKBUDYSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001099332719 1219969901 /nfs/dbraw/zinc/96/99/01/1219969901.db2.gz JFUFYAZWJUEIKJ-ZIAGYGMSSA-N 2 0 371.407 0.958 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H](C2CC2)[NH+](C)C)C3)n1 ZINC001099446381 1219999226 /nfs/dbraw/zinc/99/92/26/1219999226.db2.gz OBWANKFAHFUYHX-IEZWGBDMSA-N 2 0 360.506 0.874 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1=O ZINC001099536354 1220027123 /nfs/dbraw/zinc/02/71/23/1220027123.db2.gz CHMYZXYZBQMHIB-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277383 1220262984 /nfs/dbraw/zinc/26/29/84/1220262984.db2.gz FSCBXQRQQWZPHS-MDZRGWNJSA-N 2 0 368.522 0.260 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC1 ZINC001101342605 1220295255 /nfs/dbraw/zinc/29/52/55/1220295255.db2.gz CNEGTPPZICMKMY-APWZRJJASA-N 2 0 362.518 0.731 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344816 1220295858 /nfs/dbraw/zinc/29/58/58/1220295858.db2.gz FLFSUYQDNPBXND-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417628 1220331965 /nfs/dbraw/zinc/33/19/65/1220331965.db2.gz YYPJIYKXJAHBCA-AOIWGVFYSA-N 2 0 363.506 0.366 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460431 1220359229 /nfs/dbraw/zinc/35/92/29/1220359229.db2.gz FGVXMMANGNVIRS-QINHECLXSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001228924412 1225962910 /nfs/dbraw/zinc/96/29/10/1225962910.db2.gz BPFPIROZBXFSCW-RBSFLKMASA-N 2 0 367.494 0.463 20 0 FCADRP COCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12 ZINC001101628025 1220378664 /nfs/dbraw/zinc/37/86/64/1220378664.db2.gz TVOHMAHQPMXUQZ-OAGGEKHMSA-N 2 0 361.490 0.832 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976320 1220449927 /nfs/dbraw/zinc/44/99/27/1220449927.db2.gz WXQISATYPFXTSD-ZTFGCOKTSA-N 2 0 362.518 0.539 20 0 FCADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045962 1220476329 /nfs/dbraw/zinc/47/63/29/1220476329.db2.gz FAFZBYOINKBLQO-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102049809 1220477335 /nfs/dbraw/zinc/47/73/35/1220477335.db2.gz FCAHIGDKPHDAFX-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085794 1220491071 /nfs/dbraw/zinc/49/10/71/1220491071.db2.gz BIQDSKVHCJPWMC-BZUAXINKSA-N 2 0 368.522 0.163 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086068 1220491260 /nfs/dbraw/zinc/49/12/60/1220491260.db2.gz OMUWOGRTOYYXEL-ZACQAIPSSA-N 2 0 371.522 0.036 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108663 1220498987 /nfs/dbraw/zinc/49/89/87/1220498987.db2.gz WQPINNXFWPELEK-INMHGKMJSA-N 2 0 359.474 0.481 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108390 1220499354 /nfs/dbraw/zinc/49/93/54/1220499354.db2.gz KITLCEGJFIGUQN-JFIYKMOQSA-N 2 0 364.490 0.599 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001102141111 1220521450 /nfs/dbraw/zinc/52/14/50/1220521450.db2.gz YWAXYUGYGYJZDU-HUUCEWRRSA-N 2 0 370.457 0.701 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171395 1220533160 /nfs/dbraw/zinc/53/31/60/1220533160.db2.gz VQHXENYRMYZWPP-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189099 1220542616 /nfs/dbraw/zinc/54/26/16/1220542616.db2.gz WBADUCBCRVBEKV-IDHHARJASA-N 2 0 362.518 0.824 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290456 1220575995 /nfs/dbraw/zinc/57/59/95/1220575995.db2.gz FIJOBHCODONSLX-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292246 1220576137 /nfs/dbraw/zinc/57/61/37/1220576137.db2.gz FSGSTXBYOBQVKE-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290926 1220576683 /nfs/dbraw/zinc/57/66/83/1220576683.db2.gz ZCSLLAYVDHLMQZ-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330200 1220585106 /nfs/dbraw/zinc/58/51/06/1220585106.db2.gz IPFQPHNDTGLNMF-BRWVUGGUSA-N 2 0 369.554 0.964 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102366551 1220594657 /nfs/dbraw/zinc/59/46/57/1220594657.db2.gz JFPLDHHTMKKBDN-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370361 1220595546 /nfs/dbraw/zinc/59/55/46/1220595546.db2.gz YBXVEPVLFOYHRO-LZLYRXPVSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377334 1220599784 /nfs/dbraw/zinc/59/97/84/1220599784.db2.gz ZWESZODLAJVNSW-MGPQQGTHSA-N 2 0 369.510 0.232 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376905 1220600272 /nfs/dbraw/zinc/60/02/72/1220600272.db2.gz BVDYTIYVEJWWFP-JFIYKMOQSA-N 2 0 360.502 0.719 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430149 1220621982 /nfs/dbraw/zinc/62/19/82/1220621982.db2.gz GNXFVTHFGNBVQV-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488709 1220652007 /nfs/dbraw/zinc/65/20/07/1220652007.db2.gz FWZLEZHHIBTFJM-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495710 1220657353 /nfs/dbraw/zinc/65/73/53/1220657353.db2.gz ITVVSEYONHYFPY-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102497401 1220658360 /nfs/dbraw/zinc/65/83/60/1220658360.db2.gz RDUVNNLEBNDTJP-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001102504129 1220663636 /nfs/dbraw/zinc/66/36/36/1220663636.db2.gz DQIZVVJSZXUNRD-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001102504326 1220663968 /nfs/dbraw/zinc/66/39/68/1220663968.db2.gz LOPYNRNBIBWARO-ATZDWAIDSA-N 2 0 367.534 0.800 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514147 1220673729 /nfs/dbraw/zinc/67/37/29/1220673729.db2.gz OJJKNCYAMXNDOI-BRWVUGGUSA-N 2 0 370.538 0.506 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514108 1220673770 /nfs/dbraw/zinc/67/37/70/1220673770.db2.gz NBVVJYKNJBDZET-HZPDHXFCSA-N 2 0 365.522 0.474 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515538 1220674534 /nfs/dbraw/zinc/67/45/34/1220674534.db2.gz XROXCZGYTKUGHE-NVXWUHKLSA-N 2 0 362.518 0.635 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102523855 1220679382 /nfs/dbraw/zinc/67/93/82/1220679382.db2.gz NXQCSDXBJZZEGH-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102525695 1220681849 /nfs/dbraw/zinc/68/18/49/1220681849.db2.gz QBRUVERVJCQEEU-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579775 1220702074 /nfs/dbraw/zinc/70/20/74/1220702074.db2.gz PAPZRIASMLEHMH-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102580973 1220703887 /nfs/dbraw/zinc/70/38/87/1220703887.db2.gz SXCNRJXVWFTQEJ-JFIYKMOQSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102580974 1220704196 /nfs/dbraw/zinc/70/41/96/1220704196.db2.gz SXCNRJXVWFTQEJ-SOLBZPMBSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580367 1220704240 /nfs/dbraw/zinc/70/42/40/1220704240.db2.gz SPWLOZFTDAEJKG-NUJGCVRESA-N 2 0 362.518 0.920 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601005 1220723004 /nfs/dbraw/zinc/72/30/04/1220723004.db2.gz GNZYDSJNZHGTRA-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782288 1220781626 /nfs/dbraw/zinc/78/16/26/1220781626.db2.gz KHJDFQZWSASICH-BRWVUGGUSA-N 2 0 367.538 0.862 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783194 1220782581 /nfs/dbraw/zinc/78/25/81/1220782581.db2.gz YVYGLDOQPKPSGS-KBAYOESNSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089783 1220831214 /nfs/dbraw/zinc/83/12/14/1220831214.db2.gz BAORRJBUZMNMEJ-HZSPNIEDSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103219176 1220852277 /nfs/dbraw/zinc/85/22/77/1220852277.db2.gz ULSGSJYSZOSQPA-RBSFLKMASA-N 2 0 370.457 0.829 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001103269855 1220858993 /nfs/dbraw/zinc/85/89/93/1220858993.db2.gz RZBBIHOIHDWJQF-NVXWUHKLSA-N 2 0 360.502 0.964 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397027 1220877390 /nfs/dbraw/zinc/87/73/90/1220877390.db2.gz VSDRTAUNMOAADN-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001103437277 1220882299 /nfs/dbraw/zinc/88/22/99/1220882299.db2.gz RJRUECDACMIOBQ-CRAIPNDOSA-N 2 0 360.502 0.964 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001103612742 1220913126 /nfs/dbraw/zinc/91/31/26/1220913126.db2.gz SIJOABVFGNXJOI-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641815 1220924618 /nfs/dbraw/zinc/92/46/18/1220924618.db2.gz FOAKMMZXZWDMLH-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103647791 1220927700 /nfs/dbraw/zinc/92/77/00/1220927700.db2.gz DCDJFESLIKZRCO-OAGGEKHMSA-N 2 0 364.490 0.843 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665697 1220933537 /nfs/dbraw/zinc/93/35/37/1220933537.db2.gz QEOUTUCNYIWQCG-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719246 1220953228 /nfs/dbraw/zinc/95/32/28/1220953228.db2.gz WKXWQKLSHXQGKC-NXHRZFHOSA-N 2 0 364.534 0.881 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999904 1220996327 /nfs/dbraw/zinc/99/63/27/1220996327.db2.gz ORJYBNIBICLPRT-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999699 1220996722 /nfs/dbraw/zinc/99/67/22/1220996722.db2.gz HXUVMECTHDCQGL-KBAYOESNSA-N 2 0 368.522 0.308 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COC2CC[NH+](C)CC2)nn1 ZINC001229390239 1226008394 /nfs/dbraw/zinc/00/83/94/1226008394.db2.gz ZJJKDIUQNCHKNI-IAGOWNOFSA-N 2 0 364.494 0.443 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751276 1221089215 /nfs/dbraw/zinc/08/92/15/1221089215.db2.gz OMFKPZDKIUVBKN-BJLQDIEVSA-N 2 0 365.518 0.962 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503117 1226015039 /nfs/dbraw/zinc/01/50/39/1226015039.db2.gz FLKGYNWPXPSQQG-RBSFLKMASA-N 2 0 369.510 0.579 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779006 1221104693 /nfs/dbraw/zinc/10/46/93/1221104693.db2.gz SMLHAQPRJQPZFM-VBHSOAQHSA-N 2 0 365.478 0.025 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855689 1221137354 /nfs/dbraw/zinc/13/73/54/1221137354.db2.gz IMCGFRWHQFICSN-AVYPCKFXSA-N 2 0 362.518 0.966 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)COCCOC)C2 ZINC001111927710 1221173899 /nfs/dbraw/zinc/17/38/99/1221173899.db2.gz KNPOJHVCHMCTEY-LNLFQRSKSA-N 2 0 371.522 0.323 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937980 1221178925 /nfs/dbraw/zinc/17/89/25/1221178925.db2.gz FWVHSHZJOPZMQO-LPHOPBHVSA-N 2 0 368.522 0.402 20 0 FCADRP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2)C1CC1 ZINC001112285216 1221230591 /nfs/dbraw/zinc/23/05/91/1221230591.db2.gz PPCJKBBWBZSYFF-KNBMTAEXSA-N 2 0 362.518 0.920 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112355578 1221245166 /nfs/dbraw/zinc/24/51/66/1221245166.db2.gz HVPVKDMXWXEFEV-BJLQDIEVSA-N 2 0 365.518 0.555 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397206 1221251949 /nfs/dbraw/zinc/25/19/49/1221251949.db2.gz WZVOPARXDCBSLC-UWVAXJGDSA-N 2 0 364.534 0.929 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112436701 1221258914 /nfs/dbraw/zinc/25/89/14/1221258914.db2.gz ASTZWTPXPLVWQH-UGSOOPFHSA-N 2 0 367.494 0.130 20 0 FCADRP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1C ZINC001229709024 1226030070 /nfs/dbraw/zinc/03/00/70/1226030070.db2.gz AZSLGVPLQCSLHH-HUUCEWRRSA-N 2 0 366.510 0.473 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229716838 1226030621 /nfs/dbraw/zinc/03/06/21/1226030621.db2.gz LZVVYIMEYUBRSW-ZIAGYGMSSA-N 2 0 367.450 0.208 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C1CC1 ZINC001229717742 1226030673 /nfs/dbraw/zinc/03/06/73/1226030673.db2.gz XETDDNUEKBWJAD-DJIMGWMZSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H](C)N1C[C@@H](O)C[NH+]1CCCC1 ZINC000799168895 1221303952 /nfs/dbraw/zinc/30/39/52/1221303952.db2.gz YPKJQFFUNAOZST-WCIQWLHISA-N 2 0 368.566 0.294 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801480 1226035824 /nfs/dbraw/zinc/03/58/24/1226035824.db2.gz QJPYLDQDSPJMQI-QZTJIDSGSA-N 2 0 370.538 0.888 20 0 FCADRP Cc1nn(CCO)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001117137705 1221477653 /nfs/dbraw/zinc/47/76/53/1221477653.db2.gz MIXAFGRFCKFCRA-ALOPSCKCSA-N 2 0 363.506 0.665 20 0 FCADRP CC[N@H+](C)[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001230075175 1226050874 /nfs/dbraw/zinc/05/08/74/1226050874.db2.gz XYEKDDSILSIDLI-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1C ZINC001230149303 1226058433 /nfs/dbraw/zinc/05/84/33/1226058433.db2.gz CYIUQTZZJMJGIG-CGTJXYLNSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH3+])C[C@H](C)O1 ZINC001117979943 1221675227 /nfs/dbraw/zinc/67/52/27/1221675227.db2.gz BMSXCNGZEUEYIE-GASCZTMLSA-N 2 0 362.474 0.377 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001117985800 1221677288 /nfs/dbraw/zinc/67/72/88/1221677288.db2.gz WWZQRHIJAQYQDF-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC001118040382 1221695002 /nfs/dbraw/zinc/69/50/02/1221695002.db2.gz HTEDOCAFPAWUAN-HXUWFJFHSA-N 2 0 373.501 0.252 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001118215933 1221735044 /nfs/dbraw/zinc/73/50/44/1221735044.db2.gz CNPKEBZDXNTVPH-UHFFFAOYSA-N 2 0 362.478 0.387 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC001118330743 1221761610 /nfs/dbraw/zinc/76/16/10/1221761610.db2.gz YCSZXCJSNWZYRC-JJTUDDRGSA-N 2 0 366.506 0.330 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC001118482928 1221787228 /nfs/dbraw/zinc/78/72/28/1221787228.db2.gz SQWFQPGPDWDSAN-UHFFFAOYSA-N 2 0 371.445 0.500 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001118569642 1221801913 /nfs/dbraw/zinc/80/19/13/1221801913.db2.gz ZGESDPINTZQDHD-CYBMUJFWSA-N 2 0 362.478 0.159 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001118928351 1221845795 /nfs/dbraw/zinc/84/57/95/1221845795.db2.gz LFZRJQJIRFLLER-XLAORIBOSA-N 2 0 364.534 0.833 20 0 FCADRP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119297926 1221898190 /nfs/dbraw/zinc/89/81/90/1221898190.db2.gz ULFYADFQVLLXKB-NNFUDEMPSA-N 2 0 361.490 0.265 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001119317913 1221899314 /nfs/dbraw/zinc/89/93/14/1221899314.db2.gz OGVNEBZBNOULCL-CEXWTWQISA-N 2 0 364.534 0.535 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001119418579 1221915503 /nfs/dbraw/zinc/91/55/03/1221915503.db2.gz QVVVFFVGKIHSDY-SZMVWBNQSA-N 2 0 358.486 0.867 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001119427435 1221916478 /nfs/dbraw/zinc/91/64/78/1221916478.db2.gz PRLZFOABUAVOJF-IYBDPMFKSA-N 2 0 373.501 0.400 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001119429688 1221916975 /nfs/dbraw/zinc/91/69/75/1221916975.db2.gz XLMPKOVGBDXDKV-MSOLQXFVSA-N 2 0 356.470 0.514 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001119429691 1221917001 /nfs/dbraw/zinc/91/70/01/1221917001.db2.gz XLMPKOVGBDXDKV-ROUUACIJSA-N 2 0 356.470 0.514 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC001119610854 1221940043 /nfs/dbraw/zinc/94/00/43/1221940043.db2.gz IFQLZUPPJMZSJT-YWZLYKJASA-N 2 0 371.485 0.754 20 0 FCADRP COCC[N@H+](CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783248 1226087056 /nfs/dbraw/zinc/08/70/56/1226087056.db2.gz DOSQPPNGNYHEHJ-SJLPKXTDSA-N 2 0 364.490 0.755 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001120558748 1222104474 /nfs/dbraw/zinc/10/44/74/1222104474.db2.gz WYDLRTIEQPLXCT-FQEVSTJZSA-N 2 0 357.502 0.987 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C[NH3+])C1 ZINC001120674313 1222113991 /nfs/dbraw/zinc/11/39/91/1222113991.db2.gz IAUQVQMVTKGPOJ-IDHHARJASA-N 2 0 359.474 0.527 20 0 FCADRP C[N@H+](CCOc1cccc(CNC(=O)C[C@H](O)C[NH3+])c1)C1CCOCC1 ZINC001121916729 1222223508 /nfs/dbraw/zinc/22/35/08/1222223508.db2.gz IHTRAKITBRDGDO-KRWDZBQOSA-N 2 0 365.474 0.502 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000829500354 1222439373 /nfs/dbraw/zinc/43/93/73/1222439373.db2.gz KWTWAOIKZIBFHC-JKSUJKDBSA-N 2 0 374.489 0.526 20 0 FCADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204245 1222559986 /nfs/dbraw/zinc/55/99/86/1222559986.db2.gz OQMCNRSLERTQOX-QGZVFWFLSA-N 2 0 372.517 0.767 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585591 1222580689 /nfs/dbraw/zinc/58/06/89/1222580689.db2.gz ICPXQZJIKBZARI-VVLHAWIVSA-N 2 0 366.506 0.297 20 0 FCADRP COC(=O)COc1ccccc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001140429077 1222594305 /nfs/dbraw/zinc/59/43/05/1222594305.db2.gz OERQBJZXLRKKJJ-UHFFFAOYSA-N 2 0 363.458 0.834 20 0 FCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841150177 1222809824 /nfs/dbraw/zinc/80/98/24/1222809824.db2.gz RKKKWNFUQASOKT-MRXNPFEDSA-N 2 0 373.501 0.963 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841846303 1222830221 /nfs/dbraw/zinc/83/02/21/1222830221.db2.gz GTVHEMXHZLFZDU-XJKSGUPXSA-N 2 0 374.441 0.402 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354332 1222872767 /nfs/dbraw/zinc/87/27/67/1222872767.db2.gz ZCCHPXFJMZLRAS-KBPBESRZSA-N 2 0 365.478 0.722 20 0 FCADRP CC[C@@H](O)C[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001277712903 1226169185 /nfs/dbraw/zinc/16/91/85/1226169185.db2.gz OBEUXSDGGSPSAH-GOSISDBHSA-N 2 0 366.550 0.709 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncc(C)c(C4C[NH2+]C4)n3)C[C@H]1C2 ZINC001154640126 1223014365 /nfs/dbraw/zinc/01/43/65/1223014365.db2.gz KGSUTAHMIPUBGN-JUIVLLAYSA-N 2 0 357.458 0.307 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001155232498 1223030637 /nfs/dbraw/zinc/03/06/37/1223030637.db2.gz UCMVEPBGUQYFIU-OAHLLOKOSA-N 2 0 364.494 0.947 20 0 FCADRP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(C[NH3+])ncn1 ZINC001156700153 1223060960 /nfs/dbraw/zinc/06/09/60/1223060960.db2.gz HHFCHYLWYRTFFB-UHFFFAOYSA-N 2 0 374.470 0.430 20 0 FCADRP COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037732 1223066482 /nfs/dbraw/zinc/06/64/82/1223066482.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 0 371.441 0.917 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001157322966 1223074042 /nfs/dbraw/zinc/07/40/42/1223074042.db2.gz GMXTUIWYBMDYAX-INIZCTEOSA-N 2 0 361.490 0.354 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001157337078 1223074284 /nfs/dbraw/zinc/07/42/84/1223074284.db2.gz UERDXLOZBQEFMU-RDJZCZTQSA-N 2 0 357.458 0.464 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001157325136 1223074526 /nfs/dbraw/zinc/07/45/26/1223074526.db2.gz PXJKUKBPZYVYMV-KRWDZBQOSA-N 2 0 361.490 0.653 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157371781 1223075651 /nfs/dbraw/zinc/07/56/51/1223075651.db2.gz YYJRDKJLKWKRDP-PMPSAXMXSA-N 2 0 368.522 0.768 20 0 FCADRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001157896940 1223083209 /nfs/dbraw/zinc/08/32/09/1223083209.db2.gz NLJHUOWALFQTDD-UHFFFAOYSA-N 2 0 350.430 0.635 20 0 FCADRP O=C([C@H](c1ccco1)N1CCC[NH2+]CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071058 1223087814 /nfs/dbraw/zinc/08/78/14/1223087814.db2.gz SSMNWAPYIKNJGA-KRWDZBQOSA-N 2 0 362.474 0.597 20 0 FCADRP O=C([C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118620 1223089754 /nfs/dbraw/zinc/08/97/54/1223089754.db2.gz BYIIQHXGUVIUDN-XGHQBKJUSA-N 2 0 368.481 0.808 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)c1ccc2ccccc2c1 ZINC001158118999 1223089833 /nfs/dbraw/zinc/08/98/33/1223089833.db2.gz FNRCLELKHKFBBR-DYESRHJHSA-N 2 0 364.449 0.778 20 0 FCADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282287 1223093983 /nfs/dbraw/zinc/09/39/83/1223093983.db2.gz POQIRIWISZSNCZ-AEFFLSMTSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@@H+]1C ZINC001158379984 1223096131 /nfs/dbraw/zinc/09/61/31/1223096131.db2.gz JBPBXDHRZSCFHN-GDBMZVCRSA-N 2 0 357.462 0.598 20 0 FCADRP CC(C)n1nccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158389321 1223096274 /nfs/dbraw/zinc/09/62/74/1223096274.db2.gz ARSSINJYYKMTSM-HUUCEWRRSA-N 2 0 364.494 0.839 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C ZINC001158413046 1223097569 /nfs/dbraw/zinc/09/75/69/1223097569.db2.gz UJRUDNPDKLZEIK-LSDHHAIUSA-N 2 0 364.494 0.791 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]([NH3+])COC(C)=O)CC2)CC1 ZINC001158513269 1223100812 /nfs/dbraw/zinc/10/08/12/1223100812.db2.gz MQEYVWCBWYWDHF-INIZCTEOSA-N 2 0 369.462 0.143 20 0 FCADRP O=C([C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535518 1223101720 /nfs/dbraw/zinc/10/17/20/1223101720.db2.gz WRMFTIRGIVSZGD-IIEIJDNYSA-N 2 0 357.454 0.775 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579859 1223103145 /nfs/dbraw/zinc/10/31/45/1223103145.db2.gz YOUSIPVQGNGUBN-PMPSAXMXSA-N 2 0 362.449 0.208 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C1CC[NH2+]CC1 ZINC001158682048 1223104941 /nfs/dbraw/zinc/10/49/41/1223104941.db2.gz RNIDXONWFDBEQV-WJFTUGDTSA-N 2 0 374.485 0.684 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821714 1223110440 /nfs/dbraw/zinc/11/04/40/1223110440.db2.gz PQOCGLAPJCYMHU-HNNXBMFYSA-N 2 0 370.457 0.678 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821715 1223110563 /nfs/dbraw/zinc/11/05/63/1223110563.db2.gz PQOCGLAPJCYMHU-OAHLLOKOSA-N 2 0 370.457 0.678 20 0 FCADRP C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]2O1 ZINC001158863757 1223111632 /nfs/dbraw/zinc/11/16/32/1223111632.db2.gz SRLNSATZFIWNHS-QUSNUVHPSA-N 2 0 366.506 0.460 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903788 1223112028 /nfs/dbraw/zinc/11/20/28/1223112028.db2.gz OYAOEYIDUHHTOO-QIIPPGSGSA-N 3 0 365.453 0.531 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935484 1223113391 /nfs/dbraw/zinc/11/33/91/1223113391.db2.gz STNAODVXMLUNQB-RCCFBDPRSA-N 2 0 373.501 0.843 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001159057717 1223116120 /nfs/dbraw/zinc/11/61/20/1223116120.db2.gz MGVPSSYALJKAJC-UHFFFAOYSA-N 2 0 360.458 0.349 20 0 FCADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001159083933 1223117118 /nfs/dbraw/zinc/11/71/18/1223117118.db2.gz CSEKICPYUIMKEM-HRCADAONSA-N 2 0 372.473 0.001 20 0 FCADRP [NH3+][C@@H](C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192894 1223119951 /nfs/dbraw/zinc/11/99/51/1223119951.db2.gz YTVPLRDKUYGIKB-CRAIPNDOSA-N 2 0 361.490 0.595 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209650 1223120633 /nfs/dbraw/zinc/12/06/33/1223120633.db2.gz JSGDDSPYQQCNKS-WNRNVDISSA-N 2 0 362.474 0.670 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159234190 1223121762 /nfs/dbraw/zinc/12/17/62/1223121762.db2.gz GAPCPYIVLTVQOZ-HNNXBMFYSA-N 2 0 370.457 0.336 20 0 FCADRP C[C@]1(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CC[NH2+]C1 ZINC001159233913 1223121800 /nfs/dbraw/zinc/12/18/00/1223121800.db2.gz BDZCLBDFEHBQJC-IBGZPJMESA-N 2 0 354.458 0.957 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159344047 1223125127 /nfs/dbraw/zinc/12/51/27/1223125127.db2.gz SQRKCXDMQVPHCO-WAXYHTEFSA-N 2 0 367.494 0.750 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402223 1223126067 /nfs/dbraw/zinc/12/60/67/1223126067.db2.gz FVQGBSCBGGWSOQ-JSRQGNBESA-N 2 0 359.474 0.822 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC001159533409 1223129231 /nfs/dbraw/zinc/12/92/31/1223129231.db2.gz FTNRVCPMXHBCGB-FPSMNIFISA-N 2 0 361.490 0.306 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550127 1223129977 /nfs/dbraw/zinc/12/99/77/1223129977.db2.gz WCPNQFIOWDXPQC-OAHLLOKOSA-N 3 0 358.490 0.067 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)[C@H]2C ZINC001159632994 1223131940 /nfs/dbraw/zinc/13/19/40/1223131940.db2.gz DVKVASBCFUYOKB-DOXZYTNZSA-N 2 0 360.506 0.578 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)[C@H]2C ZINC001159634588 1223131956 /nfs/dbraw/zinc/13/19/56/1223131956.db2.gz ZUHDHWHQTYWVMD-GOEBONIOSA-N 3 0 360.506 0.436 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665246 1223133165 /nfs/dbraw/zinc/13/31/65/1223133165.db2.gz IGWYPTFIZJUDFS-SQNIBIBYSA-N 3 0 361.490 0.340 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159697497 1223134749 /nfs/dbraw/zinc/13/47/49/1223134749.db2.gz HRCHFKLDCXFTSK-LUKYLMHMSA-N 2 0 362.474 0.923 20 0 FCADRP CN1Cc2ccccc2CC2(CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)C1=O ZINC001159790623 1223136645 /nfs/dbraw/zinc/13/66/45/1223136645.db2.gz IVSGSEPNWHZSPX-KRWDZBQOSA-N 2 0 358.486 0.876 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159799667 1223137089 /nfs/dbraw/zinc/13/70/89/1223137089.db2.gz SSLCEQKXESAJJH-HOTGVXAUSA-N 2 0 359.478 0.455 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856319 1223138141 /nfs/dbraw/zinc/13/81/41/1223138141.db2.gz SWJRGHKOAJHQEU-SZMVWBNQSA-N 2 0 373.432 0.783 20 0 FCADRP CC(=O)OC[C@H](N)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855227 1223138467 /nfs/dbraw/zinc/13/84/67/1223138467.db2.gz JDWYXVVJQVPQEP-UAGQMJEPSA-N 2 0 365.405 0.380 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905523 1223139268 /nfs/dbraw/zinc/13/92/68/1223139268.db2.gz OPAFPVHHHRVVHR-AOIWGVFYSA-N 2 0 362.474 0.937 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001159929698 1223139903 /nfs/dbraw/zinc/13/99/03/1223139903.db2.gz JDAKCCMVKQOYKA-RMJJICAUSA-N 2 0 364.534 0.772 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159981089 1223141231 /nfs/dbraw/zinc/14/12/31/1223141231.db2.gz WSWWCLYWNYDXFX-HNNXBMFYSA-N 2 0 359.478 0.577 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054070 1223143596 /nfs/dbraw/zinc/14/35/96/1223143596.db2.gz WVMYCACVYOPSIL-HDMKZQKVSA-N 3 0 362.478 0.095 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160110118 1223145915 /nfs/dbraw/zinc/14/59/15/1223145915.db2.gz KIWFCRLNJCIKNO-IRXDYDNUSA-N 2 0 373.501 0.893 20 0 FCADRP O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001160121047 1223146171 /nfs/dbraw/zinc/14/61/71/1223146171.db2.gz WCPXHARAZNGWAR-NRTGNBEESA-N 2 0 358.442 0.152 20 0 FCADRP [NH3+][C@@H](C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)C1CC[NH2+]CC1 ZINC001160139082 1223146583 /nfs/dbraw/zinc/14/65/83/1223146583.db2.gz ULOOBABXYDULDC-ISARSNTHSA-N 3 0 373.501 0.509 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129311 1223146611 /nfs/dbraw/zinc/14/66/11/1223146611.db2.gz VATYUKLGVCNFSV-HNNXBMFYSA-N 2 0 360.462 0.863 20 0 FCADRP Cc1ccc(N(C(=O)C[C@H](O)C[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160165395 1223147253 /nfs/dbraw/zinc/14/72/53/1223147253.db2.gz OBNOSHDGTBHPBV-HNNXBMFYSA-N 2 0 355.442 0.848 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001160175526 1223148414 /nfs/dbraw/zinc/14/84/14/1223148414.db2.gz WQVCUJPUCBYHEP-CRAIPNDOSA-N 2 0 362.518 0.991 20 0 FCADRP [NH3+]C[C@@H]1COc2ccccc2N1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001160199471 1223149873 /nfs/dbraw/zinc/14/98/73/1223149873.db2.gz JSNGRORHCUWFOD-CQSZACIVSA-N 2 0 353.426 0.985 20 0 FCADRP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001160323186 1223155085 /nfs/dbraw/zinc/15/50/85/1223155085.db2.gz JFAOJTNVEZVDQZ-HUUCEWRRSA-N 2 0 374.489 0.032 20 0 FCADRP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001160323638 1223155103 /nfs/dbraw/zinc/15/51/03/1223155103.db2.gz NIMFFJQHRSSCRY-GJZGRUSLSA-N 2 0 364.494 0.679 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356579 1223156633 /nfs/dbraw/zinc/15/66/33/1223156633.db2.gz DEXUJKDKDFVUIW-KBXCAEBGSA-N 2 0 364.446 0.179 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160404927 1223157679 /nfs/dbraw/zinc/15/76/79/1223157679.db2.gz DOHVGAKJVMMPPV-UHFFFAOYSA-N 2 0 367.457 0.699 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160412275 1223157833 /nfs/dbraw/zinc/15/78/33/1223157833.db2.gz KDSZNHPMGCIUHD-MWDXBVQZSA-N 2 0 365.478 0.114 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC001160538090 1223164037 /nfs/dbraw/zinc/16/40/37/1223164037.db2.gz TYJIMJKDROSXEB-INIZCTEOSA-N 2 0 357.458 0.909 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC001160556036 1223164478 /nfs/dbraw/zinc/16/44/78/1223164478.db2.gz JZRCMDUDUXOZCW-CQSZACIVSA-N 2 0 356.426 0.567 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001160627763 1223166748 /nfs/dbraw/zinc/16/67/48/1223166748.db2.gz GLXIZOKEUIXGFO-RBUKOAKNSA-N 3 0 367.582 0.792 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC001160673030 1223167797 /nfs/dbraw/zinc/16/77/97/1223167797.db2.gz BLOWEPVLDHKEQD-LJQANCHMSA-N 2 0 372.513 0.827 20 0 FCADRP [NH3+][C@H]1CCN([C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c2cc3ccccc3o2)C1 ZINC001160656279 1223167852 /nfs/dbraw/zinc/16/78/52/1223167852.db2.gz UUHHVCRWYIGBIF-BORJPKMPSA-N 2 0 358.442 0.427 20 0 FCADRP O=C([C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661216 1223167886 /nfs/dbraw/zinc/16/78/86/1223167886.db2.gz NRWBALLLESXKSU-ZIFCJYIRSA-N 2 0 369.465 0.667 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001160687216 1223168829 /nfs/dbraw/zinc/16/88/29/1223168829.db2.gz ANMIGUYNCSCHSX-SFHVURJKSA-N 2 0 371.485 0.708 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])Cc3cccc(O)c3)C[C@H]1C2 ZINC001160792239 1223172925 /nfs/dbraw/zinc/17/29/25/1223172925.db2.gz UKEPAWODXSLYPF-YHSHNQQUSA-N 2 0 373.453 0.119 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)C[C@H]1C2 ZINC001160792595 1223173198 /nfs/dbraw/zinc/17/31/98/1223173198.db2.gz WHEPZBZZCODRIZ-ATOXUGOLSA-N 2 0 369.465 0.558 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])c3ccc(O)cc3)C[C@H]1C2 ZINC001160792100 1223173315 /nfs/dbraw/zinc/17/33/15/1223173315.db2.gz OUXYDIWMWLHNOL-NWBKRVSMSA-N 2 0 359.426 0.249 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C[C@H]3C[NH2+]Cc4cccn4C3)C[C@H]1C[NH2+]CC2 ZINC001160806343 1223174795 /nfs/dbraw/zinc/17/47/95/1223174795.db2.gz OUIXQGWXUODTCC-RZQQEMMASA-N 2 0 374.485 0.599 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])Cc3cccc(O)c3)C[C@H]1C[NH2+]CC2 ZINC001160812029 1223174802 /nfs/dbraw/zinc/17/48/02/1223174802.db2.gz XYGNYFBVOQORBX-SIXWZSSISA-N 2 0 361.442 0.263 20 0 FCADRP COc1cccnc1N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160846820 1223177255 /nfs/dbraw/zinc/17/72/55/1223177255.db2.gz OMNDAYMMPYBNPW-HNNXBMFYSA-N 2 0 359.474 0.613 20 0 FCADRP COCCOc1cccc(N2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)c1 ZINC001160943064 1223180778 /nfs/dbraw/zinc/18/07/78/1223180778.db2.gz HCFOMLRYKLJVET-GOSISDBHSA-N 2 0 374.485 0.169 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000252 1223182275 /nfs/dbraw/zinc/18/22/75/1223182275.db2.gz QLOSBLJREPNVON-SJLPKXTDSA-N 2 0 370.453 0.265 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999786 1223182529 /nfs/dbraw/zinc/18/25/29/1223182529.db2.gz KPXDOBMCKVQQQU-RBUKOAKNSA-N 2 0 372.513 0.566 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006831 1223183130 /nfs/dbraw/zinc/18/31/30/1223183130.db2.gz FZXPZTYRMPKZJC-SJLPKXTDSA-N 2 0 354.454 0.820 20 0 FCADRP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161026409 1223183805 /nfs/dbraw/zinc/18/38/05/1223183805.db2.gz HGGBOKSPHZWMRO-IAGOWNOFSA-N 2 0 357.454 0.987 20 0 FCADRP [NH3+]C1CCN(c2cccc(NCCOCCN3C(=O)C=CC3=O)[nH+]2)CC1 ZINC001161028052 1223183917 /nfs/dbraw/zinc/18/39/17/1223183917.db2.gz RUBJDQIQNCCGST-UHFFFAOYSA-N 2 0 359.430 0.363 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196819 1223189172 /nfs/dbraw/zinc/18/91/72/1223189172.db2.gz SGNXGKLKWCRJDK-PKOBYXMFSA-N 2 0 366.550 0.925 20 0 FCADRP CN(C(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221946 1223189980 /nfs/dbraw/zinc/18/99/80/1223189980.db2.gz RHXDFDCZQGUCDQ-SFUIVIKGSA-N 2 0 353.470 0.790 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377868 1223197005 /nfs/dbraw/zinc/19/70/05/1223197005.db2.gz IZPXHXAKFJWQEX-MOPGFXCFSA-N 2 0 360.502 0.815 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379925 1223197740 /nfs/dbraw/zinc/19/77/40/1223197740.db2.gz RWBVBTIJDXLOEL-QFBILLFUSA-N 3 0 363.550 0.474 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380790 1223197810 /nfs/dbraw/zinc/19/78/10/1223197810.db2.gz VNRYHWDNAKWISX-IRXDYDNUSA-N 2 0 366.506 0.271 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3cccc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC001161380194 1223197879 /nfs/dbraw/zinc/19/78/79/1223197879.db2.gz JOSYMPWFLWOCLC-IBGZPJMESA-N 2 0 357.502 0.734 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413597 1223198683 /nfs/dbraw/zinc/19/86/83/1223198683.db2.gz QPGBKEMKSARLEN-SJWGOKEGSA-N 2 0 371.437 0.954 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161443611 1223198998 /nfs/dbraw/zinc/19/89/98/1223198998.db2.gz ZQWUTPXSUDEGKY-SJORKVTESA-N 3 0 374.533 0.276 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001161443326 1223199004 /nfs/dbraw/zinc/19/90/04/1223199004.db2.gz QEHMPPXNENJHPY-WBVHZDCISA-N 3 0 368.522 0.722 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[N@@H+]4CC[C@H]4C3)cc(=O)oc2c1 ZINC001161423908 1223199252 /nfs/dbraw/zinc/19/92/52/1223199252.db2.gz SKUYAMKCAQBIJW-BBRMVZONSA-N 2 0 357.410 0.588 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001161478513 1223200662 /nfs/dbraw/zinc/20/06/62/1223200662.db2.gz ILHNGDUKVQMDKY-YLJYHZDGSA-N 2 0 372.469 0.463 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]([NH3+])c1ccc(OC)nc1)CC2 ZINC001161480561 1223200783 /nfs/dbraw/zinc/20/07/83/1223200783.db2.gz UVLVWJFILCYVHV-SUNYJGFJSA-N 2 0 362.430 0.234 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1Cc3cc(O)ccc3C[NH2+]1)CC2 ZINC001161480552 1223201054 /nfs/dbraw/zinc/20/10/54/1223201054.db2.gz UVBUALOTICQWNI-MDZRGWNJSA-N 2 0 359.426 0.160 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584920 1223204481 /nfs/dbraw/zinc/20/44/81/1223204481.db2.gz TYTJQMQAMPQILO-KRWDZBQOSA-N 2 0 356.470 0.518 20 0 FCADRP [NH3+]C1(c2cccnc2)CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001161581976 1223204843 /nfs/dbraw/zinc/20/48/43/1223204843.db2.gz HIEVWSHQGOHQTP-UHFFFAOYSA-N 2 0 366.469 0.976 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185502 1223211114 /nfs/dbraw/zinc/21/11/14/1223211114.db2.gz RCESWQPCDMLYBQ-HNNXBMFYSA-N 2 0 364.490 0.543 20 0 FCADRP c1ncc(OCC[NH+]2CCCC2)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973287 1223222749 /nfs/dbraw/zinc/22/27/49/1223222749.db2.gz GRJBYLVJTHJLFY-UHFFFAOYSA-N 2 0 358.450 0.648 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163087499 1223225675 /nfs/dbraw/zinc/22/56/75/1223225675.db2.gz MZOPSJQUESJYFQ-HNNXBMFYSA-N 2 0 361.490 0.944 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152436 1223227190 /nfs/dbraw/zinc/22/71/90/1223227190.db2.gz BLJZMJQOUMBYQB-YBKUAAOGSA-N 2 0 360.458 0.514 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163167739 1223227865 /nfs/dbraw/zinc/22/78/65/1223227865.db2.gz RAINCTUHPTVPEC-BFYDXBDKSA-N 2 0 361.490 0.800 20 0 FCADRP NC(=O)C1CCN(c2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)ncn2)CC1 ZINC001163645222 1223233387 /nfs/dbraw/zinc/23/33/87/1223233387.db2.gz SQFKNXYYRUDWFV-HNAYVOBHSA-N 2 0 374.489 0.891 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001164576626 1223240254 /nfs/dbraw/zinc/24/02/54/1223240254.db2.gz UOZDVOWFPPQIHD-HUUCEWRRSA-N 2 0 364.490 0.352 20 0 FCADRP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165109325 1223242303 /nfs/dbraw/zinc/24/23/03/1223242303.db2.gz TZJHMEJFCSJBQL-KRWDZBQOSA-N 2 0 360.506 0.966 20 0 FCADRP CCOC(=O)[C@]12CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]1C[NH2+]CC2 ZINC001165172159 1223243115 /nfs/dbraw/zinc/24/31/15/1223243115.db2.gz HOMNPMQFGJDMKQ-OXJNMPFZSA-N 2 0 373.501 0.812 20 0 FCADRP CCOC(=O)[C@@]12CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]1C[NH2+]CC2 ZINC001165170564 1223243130 /nfs/dbraw/zinc/24/31/30/1223243130.db2.gz UHWRTZFLZQPYCG-KXBFYZLASA-N 2 0 374.489 0.207 20 0 FCADRP c1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nnc1OC1CC[NH2+]CC1 ZINC001165346565 1223245079 /nfs/dbraw/zinc/24/50/79/1223245079.db2.gz UMPJHRUQEPPVTC-GOSISDBHSA-N 2 0 363.462 0.193 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205429316 1223323510 /nfs/dbraw/zinc/32/35/10/1223323510.db2.gz TVCGWMBZUHAHPI-RRQGHBQHSA-N 2 0 364.465 0.925 20 0 FCADRP C[N@H+](CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)CC(C)(C)C ZINC001205511102 1223329190 /nfs/dbraw/zinc/32/91/90/1223329190.db2.gz XABZPHHSLAOECI-DLBZAZTESA-N 2 0 367.534 0.896 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205674388 1223334621 /nfs/dbraw/zinc/33/46/21/1223334621.db2.gz OUCKUQCWZVTGJM-JLJPHGGASA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205674343 1223334730 /nfs/dbraw/zinc/33/47/30/1223334730.db2.gz LXCUNUYSVLWQIV-UWWQBHOKSA-N 2 0 367.465 0.669 20 0 FCADRP CCOC(=O)c1cnn2cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cnc12 ZINC001205684329 1223335110 /nfs/dbraw/zinc/33/51/10/1223335110.db2.gz DSQDNTJKSFJHMP-UHFFFAOYSA-N 2 0 374.489 0.975 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1C ZINC001206097138 1223347268 /nfs/dbraw/zinc/34/72/68/1223347268.db2.gz JJNIPCJSLBUQIP-NVXWUHKLSA-N 2 0 365.522 0.597 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206525603 1223360958 /nfs/dbraw/zinc/36/09/58/1223360958.db2.gz UNWRKXNOQYEVPZ-RDJZCZTQSA-N 2 0 365.522 0.455 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993070 1223402384 /nfs/dbraw/zinc/40/23/84/1223402384.db2.gz QHZXPZFXSDFEIT-KLHDSHLOSA-N 2 0 367.538 0.861 20 0 FCADRP Cc1noc(C)c1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001207135422 1223419960 /nfs/dbraw/zinc/41/99/60/1223419960.db2.gz YZKFDKNCMZVYEW-UHFFFAOYSA-N 2 0 363.506 0.962 20 0 FCADRP CC(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207435242 1223446703 /nfs/dbraw/zinc/44/67/03/1223446703.db2.gz KSJBTQKUWPOOSK-UHFFFAOYSA-N 2 0 361.490 0.721 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CCCn1cccn1)CC2 ZINC001208079682 1223514651 /nfs/dbraw/zinc/51/46/51/1223514651.db2.gz QMCDUWLZAUNPEX-UHFFFAOYSA-N 2 0 362.522 0.443 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448276 1223545962 /nfs/dbraw/zinc/54/59/62/1223545962.db2.gz ZVIRYBVXQRWQHQ-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCCCOC(C)C)C[C@H]1C)[NH+](C)C ZINC001208708471 1223571722 /nfs/dbraw/zinc/57/17/22/1223571722.db2.gz WQBDCALIMBZBDR-ZACQAIPSSA-N 2 0 370.538 0.694 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001208995528 1223590439 /nfs/dbraw/zinc/59/04/39/1223590439.db2.gz LJWHWYCPXHPMJJ-BZUAXINKSA-N 2 0 364.494 0.978 20 0 FCADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(CCN1CCOCC1)CCC2 ZINC001209289373 1223608073 /nfs/dbraw/zinc/60/80/73/1223608073.db2.gz BEWIMWLXGIJKJN-UHFFFAOYSA-N 2 0 363.506 0.623 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4cnccc34)C2)OCC1=O ZINC001276631771 1223610028 /nfs/dbraw/zinc/61/00/28/1223610028.db2.gz ATOMPTDYPXDVHP-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+]1CCN(CCC[NH+]2CCC3(CCC(=O)N(C4COC4)C3)CC2)CC1 ZINC001276637091 1223614224 /nfs/dbraw/zinc/61/42/24/1223614224.db2.gz VRJCZNZJVQCMMW-UHFFFAOYSA-N 2 0 364.534 0.727 20 0 FCADRP CCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209477284 1223622815 /nfs/dbraw/zinc/62/28/15/1223622815.db2.gz DBUQWGUDISAZGE-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209724180 1223644240 /nfs/dbraw/zinc/64/42/40/1223644240.db2.gz IWTXHUMQHLPWDI-KSZLIROESA-N 2 0 358.486 0.658 20 0 FCADRP C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835871 1223652447 /nfs/dbraw/zinc/65/24/47/1223652447.db2.gz CSCPMDXJETYIPW-GDBMZVCRSA-N 2 0 368.522 0.448 20 0 FCADRP Cc1cnc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001209835876 1223652570 /nfs/dbraw/zinc/65/25/70/1223652570.db2.gz CZQZYNQNRQUUOJ-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343710 1223736147 /nfs/dbraw/zinc/73/61/47/1223736147.db2.gz HWYLWMCULLFFFD-HUUCEWRRSA-N 2 0 367.494 0.145 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349944 1223736636 /nfs/dbraw/zinc/73/66/36/1223736636.db2.gz KYUNRXVWMNYLSD-KZNAEPCWSA-N 2 0 371.522 0.323 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001211362464 1223737214 /nfs/dbraw/zinc/73/72/14/1223737214.db2.gz KFWGFNBFXAQHSS-QGZVFWFLSA-N 2 0 372.473 0.533 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213189931 1223765323 /nfs/dbraw/zinc/76/53/23/1223765323.db2.gz JLRIJWFLDJYITF-RVKOJVRFSA-N 2 0 369.481 0.805 20 0 FCADRP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213374386 1223791686 /nfs/dbraw/zinc/79/16/86/1223791686.db2.gz DZLLWACTAZNEPV-QZTJIDSGSA-N 2 0 365.474 0.841 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638546 1223825942 /nfs/dbraw/zinc/82/59/42/1223825942.db2.gz SXXSKZJHHUOTMD-KBAYOESNSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1CN([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730334 1223840288 /nfs/dbraw/zinc/84/02/88/1223840288.db2.gz LPSDMTJWKPIVLD-USXIJHARSA-N 2 0 365.478 0.240 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767403 1223847033 /nfs/dbraw/zinc/84/70/33/1223847033.db2.gz RMNZJEQCBIAXDQ-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213801959 1223852050 /nfs/dbraw/zinc/85/20/50/1223852050.db2.gz IBSKKWIPNONXAX-KBAYOESNSA-N 2 0 364.490 0.985 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001214336248 1223902017 /nfs/dbraw/zinc/90/20/17/1223902017.db2.gz ZMMKXOCRTQRPIQ-OIISXLGYSA-N 2 0 362.474 0.769 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214610670 1223925889 /nfs/dbraw/zinc/92/58/89/1223925889.db2.gz BZGVEGKCFVFVNB-KBAYOESNSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001214757227 1223939070 /nfs/dbraw/zinc/93/90/70/1223939070.db2.gz FJFCPKXDQGAZCJ-DJIMGWMZSA-N 2 0 370.513 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214847543 1223947313 /nfs/dbraw/zinc/94/73/13/1223947313.db2.gz IZYYHECNKKIHFT-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889111 1223952094 /nfs/dbraw/zinc/95/20/94/1223952094.db2.gz HNLOTELJJWZEQR-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214890014 1223952205 /nfs/dbraw/zinc/95/22/05/1223952205.db2.gz RSUBUFIDRABJTI-RBSFLKMASA-N 2 0 363.462 0.924 20 0 FCADRP C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001214967205 1223959982 /nfs/dbraw/zinc/95/99/82/1223959982.db2.gz SJDORTVHVVPHPC-QIIPPGSGSA-N 2 0 368.441 0.871 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)no1 ZINC001214968815 1223960349 /nfs/dbraw/zinc/96/03/49/1223960349.db2.gz DMJFZORTODLEAC-BPLDGKMQSA-N 2 0 363.462 0.842 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015042 1223964508 /nfs/dbraw/zinc/96/45/08/1223964508.db2.gz CZBBESSFRRHACI-NVXWUHKLSA-N 2 0 361.490 0.869 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C1CC1 ZINC001215058310 1223968923 /nfs/dbraw/zinc/96/89/23/1223968923.db2.gz JTENJRUBPCDLBD-HLLBOEOZSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215056838 1223969063 /nfs/dbraw/zinc/96/90/63/1223969063.db2.gz KINXAFANSNTWDS-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219760 1223983132 /nfs/dbraw/zinc/98/31/32/1223983132.db2.gz NMRABZUQNUICOP-SZVBFZGTSA-N 2 0 363.502 0.848 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423988 1223998880 /nfs/dbraw/zinc/99/88/80/1223998880.db2.gz ZUCGZAYOWRMRAK-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP CC(C)n1nccc1NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458972 1224000852 /nfs/dbraw/zinc/00/08/52/1224000852.db2.gz RVWLYCYUFDQXLB-HUUCEWRRSA-N 2 0 364.494 0.791 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)on1 ZINC001215476456 1224001180 /nfs/dbraw/zinc/00/11/80/1224001180.db2.gz JPSGFEVUHBNHPW-SUYBPPKGSA-N 2 0 365.478 0.944 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)no1 ZINC001215540031 1224005225 /nfs/dbraw/zinc/00/52/25/1224005225.db2.gz GSWCYSOAVSXTQP-UMVBOHGHSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215544529 1224005534 /nfs/dbraw/zinc/00/55/34/1224005534.db2.gz ZBKIBBFUAKQFKI-ZMSDIMECSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215558009 1224006311 /nfs/dbraw/zinc/00/63/11/1224006311.db2.gz JRWMYZILZYDFDT-ZIAGYGMSSA-N 2 0 363.462 0.782 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1)[NH+]1CCCC1 ZINC001215598346 1224008339 /nfs/dbraw/zinc/00/83/39/1224008339.db2.gz ADVFVENACQOGGY-HLLBOEOZSA-N 2 0 364.494 0.253 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599069 1224008980 /nfs/dbraw/zinc/00/89/80/1224008980.db2.gz PQDQHXDDRSMVOL-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604732 1224009438 /nfs/dbraw/zinc/00/94/38/1224009438.db2.gz FZSGJSCQRHHKFR-OQIJWPOYSA-N 2 0 372.513 0.904 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[N@@H+]1C ZINC000978185835 1248718594 /nfs/dbraw/zinc/71/85/94/1248718594.db2.gz WLENFSBNTJFCRY-PYJZQUQOSA-N 2 0 370.497 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC000978186964 1248718689 /nfs/dbraw/zinc/71/86/89/1248718689.db2.gz XNSVSEQLDZBDGU-ZKXLYKBJSA-N 2 0 362.518 0.633 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001215989426 1224028890 /nfs/dbraw/zinc/02/88/90/1224028890.db2.gz BDCONXYYIUXUKZ-VNHYZAJKSA-N 2 0 367.494 0.141 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216213576 1224039292 /nfs/dbraw/zinc/03/92/92/1224039292.db2.gz OGWLSBZZLMBQNQ-IXDOHACOSA-N 2 0 370.538 0.696 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214178 1224039445 /nfs/dbraw/zinc/03/94/45/1224039445.db2.gz XSDOQPIPOBYSFM-VNHYZAJKSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216410109 1224048965 /nfs/dbraw/zinc/04/89/65/1224048965.db2.gz REHBZUXKQVLEAU-BFYDXBDKSA-N 2 0 362.518 0.966 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216493819 1224052902 /nfs/dbraw/zinc/05/29/02/1224052902.db2.gz CGYKTQLPBJBQHJ-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001216490655 1224053179 /nfs/dbraw/zinc/05/31/79/1224053179.db2.gz IWSAZUNALQGOGD-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757623 1224069061 /nfs/dbraw/zinc/06/90/61/1224069061.db2.gz GHZVCNIILANENM-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757845 1224069550 /nfs/dbraw/zinc/06/95/50/1224069550.db2.gz NYDMVAQVKNBCBQ-QLFBSQMISA-N 2 0 367.494 0.141 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216841008 1224077871 /nfs/dbraw/zinc/07/78/71/1224077871.db2.gz LXGDWCKTFTYYMW-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCC1 ZINC001216846708 1224078738 /nfs/dbraw/zinc/07/87/38/1224078738.db2.gz VDXXYGCWWAHLCT-IIAWOOMASA-N 2 0 367.494 0.128 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)on1 ZINC001217009523 1224084326 /nfs/dbraw/zinc/08/43/26/1224084326.db2.gz AGGTUBUCOXLOMM-MRVWCRGKSA-N 2 0 360.418 0.643 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217010176 1224084359 /nfs/dbraw/zinc/08/43/59/1224084359.db2.gz IPGGMFWKLBHBLN-HZPDHXFCSA-N 2 0 365.478 0.251 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(-c4nnn5c4C[NH2+]CC5)n3)cc2)CC1 ZINC001217216487 1224094641 /nfs/dbraw/zinc/09/46/41/1224094641.db2.gz GPWFOJREFQQIDE-UHFFFAOYSA-N 2 0 366.429 0.850 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000849054529 1245390584 /nfs/dbraw/zinc/39/05/84/1245390584.db2.gz DDTBRWHBXXHLGR-UHFFFAOYSA-N 2 0 368.526 0.747 20 0 FCADRP CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891463927 1245450880 /nfs/dbraw/zinc/45/08/80/1245450880.db2.gz HGYXHQCBZPOYRW-GOSISDBHSA-N 3 0 360.506 0.987 20 0 FCADRP COCCC1(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000891577762 1245456802 /nfs/dbraw/zinc/45/68/02/1245456802.db2.gz YLJJPQZIIYQWBM-INIZCTEOSA-N 2 0 368.522 0.945 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897056762 1245465449 /nfs/dbraw/zinc/46/54/49/1245465449.db2.gz MUQKTCZEMUVEKY-RTBURBONSA-N 2 0 365.518 0.981 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C[C@H](C)O1 ZINC000911518010 1245504256 /nfs/dbraw/zinc/50/42/56/1245504256.db2.gz ZYBLVZXHGKJTRX-LBTBCDHLSA-N 2 0 374.485 0.343 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517433 1245505019 /nfs/dbraw/zinc/50/50/19/1245505019.db2.gz JHMDIPCIDRNUIP-DZOHQFGASA-N 2 0 356.470 0.670 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911560038 1245514784 /nfs/dbraw/zinc/51/47/84/1245514784.db2.gz BMWHUFXEZXVTTB-IAGOWNOFSA-N 2 0 366.506 0.206 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000925003433 1245737385 /nfs/dbraw/zinc/73/73/85/1245737385.db2.gz UXXXPYZOAJSJOQ-DLBZAZTESA-N 2 0 358.486 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000938186805 1245835151 /nfs/dbraw/zinc/83/51/51/1245835151.db2.gz YVJGZKKQIJFMKQ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1)[NH+](C)C ZINC000943465727 1247330714 /nfs/dbraw/zinc/33/07/14/1247330714.db2.gz MEXICWJBJIIWEA-OWCLPIDISA-N 2 0 366.506 0.297 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976611907 1248293479 /nfs/dbraw/zinc/29/34/79/1248293479.db2.gz YOIPYCYPBSVZDK-SQZHQNNWSA-N 2 0 362.518 0.632 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C=CCC1 ZINC001328001858 1265469661 /nfs/dbraw/zinc/46/96/61/1265469661.db2.gz AXXYYNKEDCTSFS-INIZCTEOSA-N 2 0 357.458 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994322583 1250372805 /nfs/dbraw/zinc/37/28/05/1250372805.db2.gz JYXDDQFALKOYIB-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994322581 1250373245 /nfs/dbraw/zinc/37/32/45/1250373245.db2.gz JYXDDQFALKOYIB-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335287 1251319823 /nfs/dbraw/zinc/31/98/23/1251319823.db2.gz XBZOSCGKUWMIMW-IXDOHACOSA-N 2 0 358.486 0.644 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC000996544841 1251377551 /nfs/dbraw/zinc/37/75/51/1251377551.db2.gz LTSQKUPYIRAESY-MHORFTMASA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC000997793066 1251709642 /nfs/dbraw/zinc/70/96/42/1251709642.db2.gz LBEIKHIFGORCKZ-HYVNUMGLSA-N 2 0 360.506 0.934 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997872001 1251731198 /nfs/dbraw/zinc/73/11/98/1251731198.db2.gz OCJPUPYTSDTKNU-IKGGRYGDSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC000998624180 1251929229 /nfs/dbraw/zinc/92/92/29/1251929229.db2.gz HKTDDRGPKKRYAM-YVSFHVDLSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001001878955 1252388011 /nfs/dbraw/zinc/38/80/11/1252388011.db2.gz GRXWEHVWXWUDFO-DJIMGWMZSA-N 2 0 366.506 0.153 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001002709056 1252649497 /nfs/dbraw/zinc/64/94/97/1252649497.db2.gz NAWCPQLPHCGPPJ-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2cncn2C1 ZINC001002829584 1252691582 /nfs/dbraw/zinc/69/15/82/1252691582.db2.gz HCIPKBRDACKJBI-IDCNUPLLSA-N 2 0 371.485 0.789 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3occc3C[NH+](C)C)C2)CC[N@@H+]1C ZINC001003909119 1253148344 /nfs/dbraw/zinc/14/83/44/1253148344.db2.gz GRVXLDAQAGRDJA-CZUORRHYSA-N 2 0 362.474 0.870 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001004364446 1253298520 /nfs/dbraw/zinc/29/85/20/1253298520.db2.gz FMEXUIRZPHXCPW-JJXSEGSLSA-N 2 0 359.474 0.932 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004394819 1253311920 /nfs/dbraw/zinc/31/19/20/1253311920.db2.gz KXAPDRLEXXKGEV-NCOADZHNSA-N 2 0 360.502 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001005416337 1253550348 /nfs/dbraw/zinc/55/03/48/1253550348.db2.gz UKSNGYCUHNDQRR-ARFHVFGLSA-N 2 0 364.490 0.445 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001027416301 1253850880 /nfs/dbraw/zinc/85/08/80/1253850880.db2.gz DGSJITFFIYHDJR-OWCLPIDISA-N 2 0 364.490 0.398 20 0 FCADRP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001519903510 1265798678 /nfs/dbraw/zinc/79/86/78/1265798678.db2.gz ZJCCKSOKKRTUEB-MAUKXSAKSA-N 2 0 367.538 0.563 20 0 FCADRP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001519903518 1265798817 /nfs/dbraw/zinc/79/88/17/1265798817.db2.gz ZJCCKSOKKRTUEB-YJBOKZPZSA-N 2 0 367.538 0.563 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967422 1254088982 /nfs/dbraw/zinc/08/89/82/1254088982.db2.gz RJGXNPWZCZXUNO-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329702776 1265817402 /nfs/dbraw/zinc/81/74/02/1265817402.db2.gz SCRFWOKDMZXLPD-YVEFUNNKSA-N 2 0 358.442 0.408 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+](CC)CC)CCO2)CC[N@@H+]1C ZINC001065178521 1254479798 /nfs/dbraw/zinc/47/97/98/1254479798.db2.gz UCCTXDZQBGVBBU-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC001520192336 1265872057 /nfs/dbraw/zinc/87/20/57/1265872057.db2.gz QKNBIKKKLWTCNJ-FUHWJXTLSA-N 2 0 351.539 0.996 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065406894 1254529283 /nfs/dbraw/zinc/52/92/83/1254529283.db2.gz OVIBIDCXKDUYPM-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001520274985 1265894591 /nfs/dbraw/zinc/89/45/91/1265894591.db2.gz QMZRFYHXHOTYBN-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cc1 ZINC001077675484 1254856115 /nfs/dbraw/zinc/85/61/15/1254856115.db2.gz OQUCYGOHDCXINW-ATZDWAIDSA-N 2 0 361.486 0.883 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)CC1 ZINC001077923977 1255105115 /nfs/dbraw/zinc/10/51/15/1255105115.db2.gz MIOCZSUYEGDOOB-QZTJIDSGSA-N 2 0 363.506 0.244 20 0 FCADRP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078006266 1255161911 /nfs/dbraw/zinc/16/19/11/1255161911.db2.gz XXGZVZBIRLPUOE-GUDVDZBRSA-N 2 0 361.486 0.836 20 0 FCADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005936 1255161927 /nfs/dbraw/zinc/16/19/27/1255161927.db2.gz NIWDXVBAVARNFA-SZVBFZGTSA-N 2 0 360.502 0.756 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cncn3C)C2)CC[N@@H+]1C ZINC001078403598 1255406871 /nfs/dbraw/zinc/40/68/71/1255406871.db2.gz CTOZHYXLFYDFLX-FGTMMUONSA-N 2 0 363.506 0.858 20 0 FCADRP Cc1nccn1CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079273617 1255497002 /nfs/dbraw/zinc/49/70/02/1255497002.db2.gz GSAOVGVQGLRXEY-BHYGNILZSA-N 2 0 362.474 0.512 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079273997 1255498181 /nfs/dbraw/zinc/49/81/81/1255498181.db2.gz BDEZZBBQADMZQT-ZWKOTPCHSA-N 2 0 365.518 0.794 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494429 1255528358 /nfs/dbraw/zinc/52/83/58/1255528358.db2.gz CZBFFZICRUYNGM-QBIMZIAESA-N 2 0 356.474 0.999 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710234 1255581781 /nfs/dbraw/zinc/58/17/81/1255581781.db2.gz ANMUQSDGMZWKNE-FSPWUOQZSA-N 2 0 360.506 0.673 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188810 1255778089 /nfs/dbraw/zinc/77/80/89/1255778089.db2.gz TWGNMKHLNWLCCL-OIISXLGYSA-N 2 0 363.506 0.323 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441334 1255889116 /nfs/dbraw/zinc/88/91/16/1255889116.db2.gz JAISCLHMERIYQG-RKVPGOIHSA-N 2 0 366.485 0.927 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080557541 1255930779 /nfs/dbraw/zinc/93/07/79/1255930779.db2.gz YRQBDDZFIMLAEA-ZACQAIPSSA-N 2 0 365.522 0.711 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097814 1256176866 /nfs/dbraw/zinc/17/68/66/1256176866.db2.gz GXFGORKPBZAQGV-IPMKNSEASA-N 2 0 368.485 0.994 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959514 1256474077 /nfs/dbraw/zinc/47/40/77/1256474077.db2.gz LBCVNPQSDVDTPJ-MOXMWUHRSA-N 2 0 363.502 0.855 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328596 1256671129 /nfs/dbraw/zinc/67/11/29/1256671129.db2.gz BIVIPEPDBOGKHO-FGTMMUONSA-N 2 0 365.518 0.839 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082570192 1256876926 /nfs/dbraw/zinc/87/69/26/1256876926.db2.gz BJWSWBLPCWBLMA-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082653593 1256957893 /nfs/dbraw/zinc/95/78/93/1256957893.db2.gz SLJPDIFEYOKVIJ-UYJRAODCSA-N 2 0 359.474 0.220 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082698769 1256992108 /nfs/dbraw/zinc/99/21/08/1256992108.db2.gz ZXZBAFKHNMWCNU-IXDOHACOSA-N 2 0 365.522 0.570 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1)[NH+](C)C ZINC001082748629 1257028491 /nfs/dbraw/zinc/02/84/91/1257028491.db2.gz UJLXFTFONCLVER-MCIONIFRSA-N 2 0 367.494 0.094 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083086032 1257288519 /nfs/dbraw/zinc/28/85/19/1257288519.db2.gz ZZXWNXAGHRSILA-NRSFXHEJSA-N 2 0 374.485 0.137 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001521266399 1266107079 /nfs/dbraw/zinc/10/70/79/1266107079.db2.gz NGHCLFHTDBFUNT-PVAVHDDUSA-N 2 0 358.490 0.549 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@@H]1CCCN1Cc1ccccn1 ZINC001330890855 1266112648 /nfs/dbraw/zinc/11/26/48/1266112648.db2.gz PZYYMWHSIMVXDV-KRWDZBQOSA-N 2 0 367.457 0.884 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@H+](C)CCN1C ZINC001521342329 1266113813 /nfs/dbraw/zinc/11/38/13/1266113813.db2.gz FYYPASUKPTWLAJ-NVXWUHKLSA-N 2 0 351.495 0.987 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001083749905 1257489603 /nfs/dbraw/zinc/48/96/03/1257489603.db2.gz WCOPRYCRKLUEMS-QYZOEREBSA-N 2 0 361.486 0.877 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC1 ZINC001083833723 1257587148 /nfs/dbraw/zinc/58/71/48/1257587148.db2.gz RGCXGHAEKXDKRS-QRVBRYPASA-N 2 0 361.486 0.613 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001521504581 1266128247 /nfs/dbraw/zinc/12/82/47/1266128247.db2.gz YNSIBQJWJFBSME-HXUWFJFHSA-N 2 0 360.502 0.939 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958534 1257747867 /nfs/dbraw/zinc/74/78/67/1257747867.db2.gz KRUIGTJZLCOFLR-MOPGFXCFSA-N 2 0 366.465 0.992 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001521617775 1266150886 /nfs/dbraw/zinc/15/08/86/1266150886.db2.gz NPLJUYTVKGSVQL-WMZOPIPTSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCOC4)C[C@H]32)n1 ZINC001084351863 1258044080 /nfs/dbraw/zinc/04/40/80/1258044080.db2.gz BWHUZXHOSZOSBD-JFIYKMOQSA-N 2 0 361.490 0.628 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001521663518 1266160563 /nfs/dbraw/zinc/16/05/63/1266160563.db2.gz IEXRSHWBHVDFFM-LESCRADOSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001331185027 1266165649 /nfs/dbraw/zinc/16/56/49/1266165649.db2.gz NDYNZNCVERJHLZ-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084599658 1258191707 /nfs/dbraw/zinc/19/17/07/1258191707.db2.gz PDMRDZCEZAXRJV-KZNAEPCWSA-N 2 0 360.506 0.933 20 0 FCADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)CC2)C1 ZINC001521706589 1266167183 /nfs/dbraw/zinc/16/71/83/1266167183.db2.gz TYOLZZHWCZBSEU-HOCLYGCPSA-N 2 0 350.463 0.630 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]32)cc1=O ZINC001084903650 1258429446 /nfs/dbraw/zinc/42/94/46/1258429446.db2.gz LTASXEJAEPZRJF-SQNIBIBYSA-N 2 0 358.486 0.902 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)CC[N@@H+]1C ZINC001084943480 1258455701 /nfs/dbraw/zinc/45/57/01/1258455701.db2.gz FQDPBYNPOJKGHP-TVFCKZIOSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21)C1CC1 ZINC001084958203 1258469966 /nfs/dbraw/zinc/46/99/66/1258469966.db2.gz QGTADBIDZBQZPQ-DKSSEZFCSA-N 2 0 362.518 0.870 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001084990145 1258502322 /nfs/dbraw/zinc/50/23/22/1258502322.db2.gz BWWSXVCKNBPSDH-PBHICJAKSA-N 2 0 355.442 0.959 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170360 1258691504 /nfs/dbraw/zinc/69/15/04/1258691504.db2.gz OURVPTBRUFRHDR-BBWFWOEESA-N 2 0 363.506 0.134 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)N1CCCC1 ZINC001088171994 1258691892 /nfs/dbraw/zinc/69/18/92/1258691892.db2.gz QKBXUEGFFYJBAO-SJORKVTESA-N 2 0 360.502 0.485 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172149 1258693514 /nfs/dbraw/zinc/69/35/14/1258693514.db2.gz YEXGEOMTYRIIIZ-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200265 1258721234 /nfs/dbraw/zinc/72/12/34/1258721234.db2.gz VQKHNITXOWJBNR-SQNIBIBYSA-N 2 0 360.506 0.627 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088201172 1258724409 /nfs/dbraw/zinc/72/44/09/1258724409.db2.gz OVKRHLPNLNCCAD-IKGGRYGDSA-N 2 0 358.490 0.642 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC001331416734 1266213077 /nfs/dbraw/zinc/21/30/77/1266213077.db2.gz WCVPWKZERSBGEU-HNNXBMFYSA-N 2 0 361.490 0.739 20 0 FCADRP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427620 1266214871 /nfs/dbraw/zinc/21/48/71/1266214871.db2.gz VFRDFHOMJLUZTB-MOPGFXCFSA-N 2 0 360.502 0.642 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001100345145 1258908419 /nfs/dbraw/zinc/90/84/19/1258908419.db2.gz RLPMCYGFZXZKAP-SJJHQCBESA-N 2 0 368.522 0.354 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105662631 1258922741 /nfs/dbraw/zinc/92/27/41/1258922741.db2.gz POOHHOXYAPHJAD-LTDCPUDJSA-N 2 0 368.522 0.040 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106581471 1258926399 /nfs/dbraw/zinc/92/63/99/1258926399.db2.gz DXPZHOLUBJAHIW-MXSMSXNCSA-N 2 0 364.534 0.927 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106593603 1258927543 /nfs/dbraw/zinc/92/75/43/1258927543.db2.gz GUKBRKHCNRPVPJ-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623416 1258929572 /nfs/dbraw/zinc/92/95/72/1258929572.db2.gz RXVIRQDNJCQOPM-IAGOWNOFSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)[NH+]1CCCC1 ZINC001106680682 1258940451 /nfs/dbraw/zinc/94/04/51/1258940451.db2.gz CKGQWNFPKIXPQX-FGTMMUONSA-N 2 0 371.522 0.180 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684562 1258941320 /nfs/dbraw/zinc/94/13/20/1258941320.db2.gz FCRMFGODOCBALN-OWYHZJEWSA-N 2 0 372.513 0.762 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106840281 1258973714 /nfs/dbraw/zinc/97/37/14/1258973714.db2.gz FUIKTYVOCGTICS-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106839197 1258973765 /nfs/dbraw/zinc/97/37/65/1258973765.db2.gz AIQZKOOCSSFZPD-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877933 1258985913 /nfs/dbraw/zinc/98/59/13/1258985913.db2.gz DBQJSFMBBPBBRZ-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001106881879 1258987892 /nfs/dbraw/zinc/98/78/92/1258987892.db2.gz NMQZUNGKUGJWHB-BFYDXBDKSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106898186 1258991621 /nfs/dbraw/zinc/99/16/21/1258991621.db2.gz XHRCGALXTNIYBJ-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907420 1258994990 /nfs/dbraw/zinc/99/49/90/1258994990.db2.gz KOGNXIFKXZGTBP-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001106927278 1258997744 /nfs/dbraw/zinc/99/77/44/1258997744.db2.gz HHEXLXXJQHCYQF-LMMKCTJWSA-N 2 0 353.507 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001106984457 1259012085 /nfs/dbraw/zinc/01/20/85/1259012085.db2.gz OTFLPNSCWDRQAQ-HZPDHXFCSA-N 2 0 366.506 0.062 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107449459 1259092558 /nfs/dbraw/zinc/09/25/58/1259092558.db2.gz JWYFQUMEHYCOKK-PMUMKWKESA-N 2 0 365.478 0.026 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107546982 1259111843 /nfs/dbraw/zinc/11/18/43/1259111843.db2.gz WACRMKSQTFSJEV-SQGPQFPESA-N 2 0 362.518 0.921 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609185 1259132494 /nfs/dbraw/zinc/13/24/94/1259132494.db2.gz HGCGASJPSANSKT-VQIMIIECSA-N 2 0 368.522 0.452 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609522 1259134468 /nfs/dbraw/zinc/13/44/68/1259134468.db2.gz VWXGFBRQJLKDDT-VQIMIIECSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001107617292 1259135308 /nfs/dbraw/zinc/13/53/08/1259135308.db2.gz CRJKUNYALGBUMW-VQIMIIECSA-N 2 0 365.522 0.714 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[C@@]12CC[NH+](C1)CCC2 ZINC001107618549 1259136006 /nfs/dbraw/zinc/13/60/06/1259136006.db2.gz HGEYULKSZFNUIY-RLLQIKCJSA-N 2 0 365.518 0.842 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC001118059705 1259170491 /nfs/dbraw/zinc/17/04/91/1259170491.db2.gz SIVUACNXTGNCKJ-GOSISDBHSA-N 2 0 358.486 0.837 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001127571449 1259181979 /nfs/dbraw/zinc/18/19/79/1259181979.db2.gz SDESTLBDZOYNEV-XYPHTWIQSA-N 2 0 366.506 0.106 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CC[N@@H+]1C ZINC001127701466 1259184986 /nfs/dbraw/zinc/18/49/86/1259184986.db2.gz POYHBESFFISQTC-GVDBMIGSSA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071909 1259305303 /nfs/dbraw/zinc/30/53/03/1259305303.db2.gz PMPBPKYTQVPYQO-ZACQAIPSSA-N 2 0 366.510 0.775 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127447 1259323521 /nfs/dbraw/zinc/32/35/21/1259323521.db2.gz CKQAGEYBQUOVLC-XHSDSOJGSA-N 2 0 364.494 0.265 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129204484 1259344782 /nfs/dbraw/zinc/34/47/82/1259344782.db2.gz FZCIUDOKDHYVSW-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219595 1259347269 /nfs/dbraw/zinc/34/72/69/1259347269.db2.gz GWMZUCHEIPRXGJ-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129228270 1259349593 /nfs/dbraw/zinc/34/95/93/1259349593.db2.gz LFAQFAXANFDETR-BACDZXNISA-N 2 0 364.494 0.386 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[C@H]1O ZINC001160652921 1259385932 /nfs/dbraw/zinc/38/59/32/1259385932.db2.gz QPBLKKLMRYQFIL-USXIJHARSA-N 2 0 359.470 0.986 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160655509 1259386139 /nfs/dbraw/zinc/38/61/39/1259386139.db2.gz ONUARJYSNBXLEB-OWCLPIDISA-N 2 0 363.458 0.432 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c2cc3ccccc3o2)C1 ZINC001160656275 1259386199 /nfs/dbraw/zinc/38/61/99/1259386199.db2.gz UUHHVCRWYIGBIF-ADAWSYLGSA-N 2 0 358.442 0.427 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538026 1259416456 /nfs/dbraw/zinc/41/64/56/1259416456.db2.gz VVAPRSMAPJOMSO-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635581 1259417439 /nfs/dbraw/zinc/41/74/39/1259417439.db2.gz ABNWWXCHRLLANQ-UKRRQHHQSA-N 2 0 367.494 0.143 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674681 1259426004 /nfs/dbraw/zinc/42/60/04/1259426004.db2.gz GOHCAUJQNFFMPU-BPQIPLTHSA-N 2 0 358.486 0.658 20 0 FCADRP CCOC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]2N1 ZINC001235283487 1259569371 /nfs/dbraw/zinc/56/93/71/1259569371.db2.gz PQHZQVVTBGZWCH-ZACQAIPSSA-N 2 0 359.474 0.217 20 0 FCADRP CC1(N2CCN(Cc3cccc(C(=O)NCC[NH3+])c3)CC2)CC[NH2+]CC1 ZINC001235823334 1259583007 /nfs/dbraw/zinc/58/30/07/1259583007.db2.gz WEAJYWXZSQNSOP-UHFFFAOYSA-N 2 0 359.518 0.635 20 0 FCADRP COC(=O)c1cc2cc(CN3CC[NH2+]CCNCC[NH2+]CC3)ccc2[nH]1 ZINC001235873303 1259584349 /nfs/dbraw/zinc/58/43/49/1259584349.db2.gz FGXIAJNDGVCEQF-UHFFFAOYSA-N 2 0 359.474 0.539 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(OC)nc3OC)C[C@H]1C2 ZINC001236027320 1259586393 /nfs/dbraw/zinc/58/63/93/1259586393.db2.gz OWYBOMLLXBAGSU-GJRWTSMGSA-N 2 0 361.442 0.929 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(OCCO)cc3)C[C@H]1C2 ZINC001236026103 1259586449 /nfs/dbraw/zinc/58/64/49/1259586449.db2.gz IWZFTCOZGBWBTJ-QEEHTWDDSA-N 2 0 360.454 0.888 20 0 FCADRP Cc1nnc(-c2ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc2)o1 ZINC001236312310 1259588264 /nfs/dbraw/zinc/58/82/64/1259588264.db2.gz PRZCKAUNHGFXQD-UHFFFAOYSA-N 2 0 360.462 0.661 20 0 FCADRP C[C@H](Cc1ccc2c(c1)OCO2)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307572 1259589422 /nfs/dbraw/zinc/58/94/22/1259589422.db2.gz CJRZENAIZGAWNU-OAHLLOKOSA-N 2 0 364.490 0.710 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1cccc(C(=O)NCC[NH3+])c1)CC2 ZINC001237065410 1259594704 /nfs/dbraw/zinc/59/47/04/1259594704.db2.gz UUSZOOHBSUXAEN-VQIMIIECSA-N 2 0 360.458 0.102 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)nc1)CC2 ZINC001237062016 1259595705 /nfs/dbraw/zinc/59/57/05/1259595705.db2.gz KLTDPACZSCHOEW-VQIMIIECSA-N 2 0 359.474 0.218 20 0 FCADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239214449 1259622863 /nfs/dbraw/zinc/62/28/63/1259622863.db2.gz HBZYIZFGMHMGHN-KBPBESRZSA-N 2 0 370.494 0.517 20 0 FCADRP O=C(c1ccc(NC[C@H](O)CC2(O)CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC001245962638 1259641915 /nfs/dbraw/zinc/64/19/15/1259641915.db2.gz SOAFNBHJDZUZLT-QGZVFWFLSA-N 2 0 362.474 0.009 20 0 FCADRP [NH3+]CCCNCCC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011254 1259643706 /nfs/dbraw/zinc/64/37/06/1259643706.db2.gz UEULPRNQBYLMEZ-IAGOWNOFSA-N 2 0 368.432 0.425 20 0 FCADRP O[C@]1(CN2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)CCC[NH2+]C1 ZINC001246042751 1259644945 /nfs/dbraw/zinc/64/49/45/1259644945.db2.gz HOIGVIHJEKTHSW-LJQANCHMSA-N 3 0 363.506 0.472 20 0 FCADRP CCS(=O)(=O)NCCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001335400588 1259646658 /nfs/dbraw/zinc/64/66/58/1259646658.db2.gz RBPNOYLKHSGLBJ-QGZVFWFLSA-N 2 0 355.504 0.542 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246083889 1259648904 /nfs/dbraw/zinc/64/89/04/1259648904.db2.gz QEXMHYHYMFWBSR-KBXCAEBGSA-N 2 0 374.453 0.694 20 0 FCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCNCC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001246407736 1259652418 /nfs/dbraw/zinc/65/24/18/1259652418.db2.gz YYGKYNIFYMWMNL-IXDOHACOSA-N 2 0 363.458 0.436 20 0 FCADRP NC(=O)[C@H](CCC(=O)OCc1ccccc1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246390495 1259653118 /nfs/dbraw/zinc/65/31/18/1259653118.db2.gz PDCFWLICKKJYAR-HOTGVXAUSA-N 2 0 360.458 0.048 20 0 FCADRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605574 1259655938 /nfs/dbraw/zinc/65/59/38/1259655938.db2.gz VGBGVZWWVKNHLU-JYJNAYRXSA-N 2 0 367.490 0.677 20 0 FCADRP O=C([C@@H]1C[C@@H](N2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246625038 1259657156 /nfs/dbraw/zinc/65/71/56/1259657156.db2.gz QUPDYDGTFDAFCL-KURKYZTESA-N 2 0 372.538 0.939 20 0 FCADRP O=C([C@@H]1C[C@@H](N2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246625040 1259657484 /nfs/dbraw/zinc/65/74/84/1259657484.db2.gz QUPDYDGTFDAFCL-SQNIBIBYSA-N 2 0 372.538 0.939 20 0 FCADRP Fc1cnc(N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C2CC[NH2+]CC2)nc1 ZINC001246688742 1259659544 /nfs/dbraw/zinc/65/95/44/1259659544.db2.gz NZLXQYWOVBRKBL-KBXCAEBGSA-N 2 0 365.453 0.569 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CN1 ZINC001246677105 1259659553 /nfs/dbraw/zinc/65/95/53/1259659553.db2.gz BTHBOVAZEFPKMT-FPXQBCRKSA-N 2 0 367.490 0.535 20 0 FCADRP O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCCO1 ZINC001246691467 1259661673 /nfs/dbraw/zinc/66/16/73/1259661673.db2.gz XSFJZAFXNJGJNB-MWDXBVQZSA-N 2 0 364.490 0.114 20 0 FCADRP O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCCO1 ZINC001246693946 1259662505 /nfs/dbraw/zinc/66/25/05/1259662505.db2.gz KCRYVBLPIKYERN-HZMVEIRTSA-N 2 0 364.490 0.256 20 0 FCADRP CN(Cc1cccnc1)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246720803 1259668277 /nfs/dbraw/zinc/66/82/77/1259668277.db2.gz GANWJHVSRMNTFR-WTGUMLROSA-N 2 0 371.529 0.839 20 0 FCADRP Cn1cc([C@@H]2CC(=O)N(C)C23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246737440 1259673504 /nfs/dbraw/zinc/67/35/04/1259673504.db2.gz PZCDVOOUKKVAOE-SJORKVTESA-N 2 0 372.517 0.294 20 0 FCADRP O=C(c1ccco1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2C1 ZINC001246738509 1259673967 /nfs/dbraw/zinc/67/39/67/1259673967.db2.gz OAPXEVBROKESRV-JFIYKMOQSA-N 2 0 374.485 0.537 20 0 FCADRP CC(C)C(=O)N[C@H]1COCCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246742758 1259675436 /nfs/dbraw/zinc/67/54/36/1259675436.db2.gz DOWGSACAOULYFZ-SJORKVTESA-N 2 0 364.534 0.724 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738831 1259676021 /nfs/dbraw/zinc/67/60/21/1259676021.db2.gz OPJDZGKJAZAOLN-YIOZNXECSA-N 2 0 358.490 0.634 20 0 FCADRP O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753728 1259679007 /nfs/dbraw/zinc/67/90/07/1259679007.db2.gz CNRYYCJDKWCYOT-ICSRJNTNSA-N 2 0 369.513 0.990 20 0 FCADRP O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765380 1259683924 /nfs/dbraw/zinc/68/39/24/1259683924.db2.gz JMQLBAYIUXWIOH-CRAIPNDOSA-N 2 0 356.474 0.390 20 0 FCADRP COCCO[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]1Cc1cnn(C)c1 ZINC001246764143 1259684119 /nfs/dbraw/zinc/68/41/19/1259684119.db2.gz HQBHFMMVKWSOIJ-SQNIBIBYSA-N 2 0 363.506 0.163 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762560 1259684314 /nfs/dbraw/zinc/68/43/14/1259684314.db2.gz CRKOVUBSJOZCQY-QKGUJMCYSA-N 2 0 361.490 0.627 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246762503 1259684668 /nfs/dbraw/zinc/68/46/68/1259684668.db2.gz GJXSSNLENXLEET-INIZCTEOSA-N 2 0 362.522 0.261 20 0 FCADRP COc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246786637 1259688983 /nfs/dbraw/zinc/68/89/83/1259688983.db2.gz HKKCPBBVMYYXEP-QGZVFWFLSA-N 2 0 358.486 0.983 20 0 FCADRP c1nc(CN(c2ncccn2)[C@@H]2CCNC3(C[NH2+]C3)C2)c2n1CCC[NH2+]C2 ZINC001246772719 1259689814 /nfs/dbraw/zinc/68/98/14/1259689814.db2.gz GGKSUGDNQKFAGE-OAHLLOKOSA-N 2 0 368.489 0.267 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCN(c2cccc(F)c2)CC1 ZINC001246925966 1259695456 /nfs/dbraw/zinc/69/54/56/1259695456.db2.gz QIKNKLVQLHFSEY-UHFFFAOYSA-N 2 0 365.497 0.910 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4C[NH2+]C[C@@H](O)C4)n3)c2)CC1 ZINC001247746262 1259705071 /nfs/dbraw/zinc/70/50/71/1259705071.db2.gz ALKQRLNCPKHDKI-IRXDYDNUSA-N 2 0 357.458 0.922 20 0 FCADRP c1cc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1CN1CCOCC1 ZINC001247828291 1259705498 /nfs/dbraw/zinc/70/54/98/1259705498.db2.gz CFLFTJCVIBUYOA-MRXNPFEDSA-N 2 0 355.442 0.845 20 0 FCADRP Cc1cc(C)n(-c2ccc(-c3noc(C45C[NH2+]CC4C[NH2+]C5)n3)cn2)n1 ZINC001247851014 1259706503 /nfs/dbraw/zinc/70/65/03/1259706503.db2.gz LTLFSLGQMBIXTR-UHFFFAOYSA-N 2 0 351.414 0.995 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4NC(=O)CC45C[NH2+]C5)n3)cc2)CC1 ZINC001247867946 1259707073 /nfs/dbraw/zinc/70/70/73/1259707073.db2.gz FDICUTOUDJCBJZ-INIZCTEOSA-N 2 0 368.441 0.639 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(CN4CC[NH2+]CC4)n3)c2)CC1 ZINC001248215855 1259710221 /nfs/dbraw/zinc/71/02/21/1259710221.db2.gz BXOOYEFKACBQBZ-UHFFFAOYSA-N 2 0 356.474 0.889 20 0 FCADRP CCOC(=O)C1(c2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)no2)C[NH2+]C1 ZINC001248896989 1259718480 /nfs/dbraw/zinc/71/84/80/1259718480.db2.gz WYJZTDYORFOLHM-UHFFFAOYSA-N 2 0 371.441 0.893 20 0 FCADRP C[NH2+]C[C@@H]1CCCCN1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001335570218 1259721660 /nfs/dbraw/zinc/72/16/60/1259721660.db2.gz OCFQKAOMTQQOPT-INIZCTEOSA-N 2 0 354.495 0.651 20 0 FCADRP [NH3+]CC1(c2ccccc2)CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC001335584553 1259728106 /nfs/dbraw/zinc/72/81/06/1259728106.db2.gz NPEJBUBMEJDVAY-UHFFFAOYSA-N 2 0 359.518 0.984 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C(=O)NCC[NH2+]C ZINC001335585525 1259729669 /nfs/dbraw/zinc/72/96/69/1259729669.db2.gz ZGJVGRLGSQDCHP-SJORKVTESA-N 2 0 362.474 0.959 20 0 FCADRP COCC1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC[NH2+]CC1 ZINC001335594956 1259732598 /nfs/dbraw/zinc/73/25/98/1259732598.db2.gz DCZKALBGESXEGH-HUUCEWRRSA-N 2 0 356.536 0.882 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184610 1259826878 /nfs/dbraw/zinc/82/68/78/1259826878.db2.gz HEQYGRDXUPKTKT-VQIMIIECSA-N 2 0 368.522 0.092 20 0 FCADRP CN(C)C(=O)CN1CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254037925 1259869098 /nfs/dbraw/zinc/86/90/98/1259869098.db2.gz VHNKOZXRLAANJG-UHFFFAOYSA-N 2 0 374.529 0.719 20 0 FCADRP C[NH+]1CCN(CC[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001335893942 1259888360 /nfs/dbraw/zinc/88/83/60/1259888360.db2.gz XWWSOBHPBHWFJE-IBGZPJMESA-N 2 0 370.538 0.976 20 0 FCADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520025 1259890509 /nfs/dbraw/zinc/89/05/09/1259890509.db2.gz BOUIJOHHCUCMGD-YRXWBPOGSA-N 2 0 365.518 0.914 20 0 FCADRP CC(=O)N(C(=O)C(=O)N(C)CCC[NH+](C)C)c1ccc2c(c1)C[NH2+]CC2 ZINC001335936994 1259909452 /nfs/dbraw/zinc/90/94/52/1259909452.db2.gz MEYAHMULLQNPLU-UHFFFAOYSA-N 2 0 360.458 0.622 20 0 FCADRP C[N@@H+]1CC[C@H](N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426357 1259911737 /nfs/dbraw/zinc/91/17/37/1259911737.db2.gz COMBLCDGRLAJNL-ZVZYQTTQSA-N 2 0 365.453 0.521 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC001336001817 1259938287 /nfs/dbraw/zinc/93/82/87/1259938287.db2.gz QSJOEAGXBHJLPR-HNNXBMFYSA-N 2 0 361.490 0.858 20 0 FCADRP [NH3+]C1CCN(CCc2cn(Cc3ccc(-n4ccnc4)nc3)nn2)CC1 ZINC001331886097 1266300358 /nfs/dbraw/zinc/30/03/58/1266300358.db2.gz YOGGROVINIFPJN-UHFFFAOYSA-N 2 0 352.446 0.873 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC001336133220 1260001932 /nfs/dbraw/zinc/00/19/32/1260001932.db2.gz LYRQTTISOUJRNI-CQSZACIVSA-N 2 0 374.411 0.783 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001336135527 1260003480 /nfs/dbraw/zinc/00/34/80/1260003480.db2.gz ZWDYAZFFUIFXEI-UKRRQHHQSA-N 2 0 363.428 0.750 20 0 FCADRP COC1CC[NH+](CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001336174009 1260025281 /nfs/dbraw/zinc/02/52/81/1260025281.db2.gz CACGONSXJGPAFP-OAHLLOKOSA-N 2 0 354.495 0.555 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257721757 1260026361 /nfs/dbraw/zinc/02/63/61/1260026361.db2.gz DBUBTGDWMFBUGX-ARFHVFGLSA-N 2 0 369.506 0.733 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257721758 1260026834 /nfs/dbraw/zinc/02/68/34/1260026834.db2.gz DBUBTGDWMFBUGX-BZUAXINKSA-N 2 0 369.506 0.733 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192812 1260034688 /nfs/dbraw/zinc/03/46/88/1260034688.db2.gz IVZQCYVPEPFXSM-QLFBSQMISA-N 2 0 352.479 0.653 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCCC[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC001336253817 1260058589 /nfs/dbraw/zinc/05/85/89/1260058589.db2.gz YRRIOHIHNXAQRB-BBWFWOEESA-N 2 0 365.522 0.808 20 0 FCADRP C[NH+](C)C1CCN(C(=O)Cc2noc(CCSCCC[NH3+])n2)CC1 ZINC001336299874 1260071744 /nfs/dbraw/zinc/07/17/44/1260071744.db2.gz KKZMUPOJOGNVKH-UHFFFAOYSA-N 2 0 355.508 0.789 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CC2)CC1 ZINC001336316428 1260080232 /nfs/dbraw/zinc/08/02/32/1260080232.db2.gz PQRKDRMISAZIKI-ZDUSSCGKSA-N 2 0 362.478 0.221 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC001261382869 1260130433 /nfs/dbraw/zinc/13/04/33/1260130433.db2.gz YGCUWABYXCTBIL-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC001261382870 1260130590 /nfs/dbraw/zinc/13/05/90/1260130590.db2.gz YGCUWABYXCTBIL-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001336640832 1260190063 /nfs/dbraw/zinc/19/00/63/1260190063.db2.gz OGSOZYNICRQWHK-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001261874699 1260205888 /nfs/dbraw/zinc/20/58/88/1260205888.db2.gz HOOFLDQKWXHGGA-HUUCEWRRSA-N 2 0 359.474 0.633 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1(C)C ZINC001262010198 1260245619 /nfs/dbraw/zinc/24/56/19/1260245619.db2.gz XOINGYNGYIEVRO-SPYBWZPUSA-N 2 0 366.506 0.330 20 0 FCADRP O=C1NCCC12CC[NH+](C/C=C\C[NH+]1CCC3(CCNC3=O)CC1)CC2 ZINC001262020956 1260246709 /nfs/dbraw/zinc/24/67/09/1260246709.db2.gz QHBJKTZFGQEBSK-UPHRSURJSA-N 2 0 360.502 0.747 20 0 FCADRP Cc1nccnc1CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336893434 1260247398 /nfs/dbraw/zinc/24/73/98/1260247398.db2.gz HCIDOVVXCGBHFT-CALCHBBNSA-N 2 0 358.490 0.938 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CC[NH2+]C1 ZINC001262060528 1260253258 /nfs/dbraw/zinc/25/32/58/1260253258.db2.gz CKUYAMSDKALJEF-ZWKOTPCHSA-N 2 0 374.485 0.080 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C(F)(F)F ZINC001336926171 1260255460 /nfs/dbraw/zinc/25/54/60/1260255460.db2.gz QEOKMEIXXBZKOA-QJPTWQEYSA-N 2 0 350.385 0.676 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C(F)(F)F ZINC001336926169 1260255475 /nfs/dbraw/zinc/25/54/75/1260255475.db2.gz QEOKMEIXXBZKOA-IJLUTSLNSA-N 2 0 350.385 0.676 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC001336943575 1260262354 /nfs/dbraw/zinc/26/23/54/1260262354.db2.gz YCYKIWVTFXPBML-SJORKVTESA-N 2 0 355.527 0.158 20 0 FCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC001336975888 1260273601 /nfs/dbraw/zinc/27/36/01/1260273601.db2.gz JJIYZBNWYQPKCT-MSOLQXFVSA-N 2 0 373.501 0.850 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024552 1260288082 /nfs/dbraw/zinc/28/80/82/1260288082.db2.gz UFRLTRMTSLRWTC-OLZOCXBDSA-N 2 0 351.417 0.606 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001337052298 1260295725 /nfs/dbraw/zinc/29/57/25/1260295725.db2.gz IXANJOTZAOOTBW-CABCVRRESA-N 2 0 364.494 0.421 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC001262569408 1260327867 /nfs/dbraw/zinc/32/78/67/1260327867.db2.gz XVBBRKUPPLUREF-JKSUJKDBSA-N 2 0 374.485 0.259 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@]34CC[NH2+]C4)ccn2)CC1 ZINC001262561378 1260327992 /nfs/dbraw/zinc/32/79/92/1260327992.db2.gz UCTUDJKFWOXYLA-IBGZPJMESA-N 2 0 358.490 0.871 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001272643219 1260471408 /nfs/dbraw/zinc/47/14/08/1260471408.db2.gz YRYIWYBSPSDODC-LJQANCHMSA-N 2 0 368.522 0.357 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C2)C1=O ZINC001273055733 1260582481 /nfs/dbraw/zinc/58/24/81/1260582481.db2.gz LETDZQSWPLLALE-FXAWDEMLSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001273121597 1260596390 /nfs/dbraw/zinc/59/63/90/1260596390.db2.gz RYRQNONMIBINDS-KRWDZBQOSA-N 2 0 360.502 0.627 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2ccnc2)C1 ZINC001273254813 1260638324 /nfs/dbraw/zinc/63/83/24/1260638324.db2.gz MEQILOLHAAQCPB-KSZLIROESA-N 2 0 361.490 0.527 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2ccncc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001278463707 1260694890 /nfs/dbraw/zinc/69/48/90/1260694890.db2.gz LTGKJRQPHWZVDU-IBGZPJMESA-N 2 0 361.490 0.505 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001278472013 1260696446 /nfs/dbraw/zinc/69/64/46/1260696446.db2.gz ZGEKWHWBOOZBMR-IRXDYDNUSA-N 2 0 360.502 0.674 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478885 1260697599 /nfs/dbraw/zinc/69/75/99/1260697599.db2.gz DEISBZJZRYHIDL-FXAWDEMLSA-N 2 0 362.518 0.873 20 0 FCADRP CC(=O)OCc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)o1 ZINC001278824694 1260738949 /nfs/dbraw/zinc/73/89/49/1260738949.db2.gz LMLBYNPSNNCLIW-IAGOWNOFSA-N 2 0 361.442 0.985 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC001332217729 1266360260 /nfs/dbraw/zinc/36/02/60/1266360260.db2.gz SXMJHWQTXZWHKM-WBVHZDCISA-N 2 0 362.474 0.625 20 0 FCADRP O=C1NC2(CC[NH+](C[C@H]3CCCO3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279468603 1260874568 /nfs/dbraw/zinc/87/45/68/1260874568.db2.gz WTTCYPNBUKWHAC-IKGGRYGDSA-N 2 0 359.474 0.601 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CN(CC(=O)N(C)C)CCO3)C2)CC1 ZINC001279498824 1260880427 /nfs/dbraw/zinc/88/04/27/1260880427.db2.gz PXUYMMIAWVNVJV-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP Cn1c(C(=O)N2C[C@@H]3CCN(Cc4c[nH+]ccc4N)[C@@H]3C2)cccc1=O ZINC001279616236 1260899516 /nfs/dbraw/zinc/89/95/16/1260899516.db2.gz CASDBBFDPYUPHD-SUMWQHHRSA-N 2 0 353.426 0.539 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618198 1260900727 /nfs/dbraw/zinc/90/07/27/1260900727.db2.gz UIHFRJJQXYMIEE-AKHDSKFASA-N 2 0 363.502 0.809 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618200 1260901316 /nfs/dbraw/zinc/90/13/16/1260901316.db2.gz UIHFRJJQXYMIEE-OKYOBFRVSA-N 2 0 363.502 0.809 20 0 FCADRP COCC[N@@H+]1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H](c2cn(C)cn2)C1 ZINC001279722182 1260922273 /nfs/dbraw/zinc/92/22/73/1260922273.db2.gz LBMHAOUDTUCXOY-IAGOWNOFSA-N 2 0 363.506 0.635 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2nccnc2N)CC1 ZINC001279870391 1260948289 /nfs/dbraw/zinc/94/82/89/1260948289.db2.gz DZKFCBKLRRVVSD-OSRSDYAFSA-N 2 0 358.490 0.774 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H]3C[N@H+](CC4CCC4)C[C@H]23)cn1 ZINC001279897174 1260955298 /nfs/dbraw/zinc/95/52/98/1260955298.db2.gz ADYOZWOJMREEFP-JKSUJKDBSA-N 2 0 360.462 0.870 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH2+]C12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001279928463 1260967362 /nfs/dbraw/zinc/96/73/62/1260967362.db2.gz IDKGIZOUPYKSJW-UHFFFAOYSA-N 2 0 361.446 0.419 20 0 FCADRP COCOCCC[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001280089588 1260996347 /nfs/dbraw/zinc/99/63/47/1260996347.db2.gz DIFICQDDEBYZDN-MLHJIOFPSA-N 2 0 369.506 0.421 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](C[C@@H]2CCCOC2)C3)CC1 ZINC001280135521 1261013391 /nfs/dbraw/zinc/01/33/91/1261013391.db2.gz JIZLZGVDSCMTMR-WMZOPIPTSA-N 2 0 365.518 0.962 20 0 FCADRP CC(=O)NCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169967 1261020165 /nfs/dbraw/zinc/02/01/65/1261020165.db2.gz OALUYELIYHMUBI-ICSRJNTNSA-N 2 0 362.518 0.921 20 0 FCADRP CCn1ccnc1C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@@H]2C1 ZINC001280188435 1261024856 /nfs/dbraw/zinc/02/48/56/1261024856.db2.gz GNSWSACRILRSCK-BZUAXINKSA-N 2 0 361.490 0.296 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001280210955 1261034619 /nfs/dbraw/zinc/03/46/19/1261034619.db2.gz KNJHSNIBQIQWLO-MXSMSXNCSA-N 2 0 364.534 0.927 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@]23c2ccccc2NC3=O)CC1 ZINC001280241481 1261041060 /nfs/dbraw/zinc/04/10/60/1261041060.db2.gz HZRDACOFBFLTDN-UZLBHIALSA-N 2 0 356.470 0.991 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCc3n[nH]c(C(=O)NCC4COC4)c3C2)CC1 ZINC001280249884 1261041874 /nfs/dbraw/zinc/04/18/74/1261041874.db2.gz IBXDZKIINJKCFW-UHFFFAOYSA-N 2 0 361.490 0.876 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)CC1 ZINC001282291262 1261404615 /nfs/dbraw/zinc/40/46/15/1261404615.db2.gz OFSFUQJGRYESTR-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP COc1ccc([C@@H](CN(C)C)NS(=O)(=O)N2CCN(C)CC2)cc1 ZINC001475287082 1261525142 /nfs/dbraw/zinc/52/51/42/1261525142.db2.gz MIYHBQFZHUSKBG-MRXNPFEDSA-N 2 0 356.492 0.380 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001345183433 1261646822 /nfs/dbraw/zinc/64/68/22/1261646822.db2.gz FAHIMVFHLMNAEZ-OAHLLOKOSA-N 2 0 361.490 0.026 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)[NH+](C)C ZINC001289192268 1262146807 /nfs/dbraw/zinc/14/68/07/1262146807.db2.gz QPAYZBQXPKIJCO-INMHGKMJSA-N 2 0 370.538 0.238 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535703 1262242000 /nfs/dbraw/zinc/24/20/00/1262242000.db2.gz JJIGLSFZSAESQZ-HUUCEWRRSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001580343325 1278140292 /nfs/dbraw/zinc/14/02/92/1278140292.db2.gz JUEZPQIZOFUSCF-XOKHGSTOSA-N 2 0 369.473 0.755 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001306907712 1263193391 /nfs/dbraw/zinc/19/33/91/1263193391.db2.gz ZGRLIZLFNMHAOU-YQVWRLOYSA-N 2 0 369.506 0.122 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001316755429 1263459680 /nfs/dbraw/zinc/45/96/80/1263459680.db2.gz KBQOEBNLYWWGKR-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@H+](C[C@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001485032040 1263498120 /nfs/dbraw/zinc/49/81/20/1263498120.db2.gz XPBOCASEQSQOAS-BPQIPLTHSA-N 2 0 355.523 0.894 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318662297 1263597281 /nfs/dbraw/zinc/59/72/81/1263597281.db2.gz RYAHRUNMUISPBR-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP O=C(NCC[NH+]1CC=CC1)c1cccc(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001319821453 1263736324 /nfs/dbraw/zinc/73/63/24/1263736324.db2.gz WZZZEBJRKHSZSA-UHFFFAOYSA-N 2 0 354.454 0.890 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCn3ccnc3C2)CC1 ZINC001320484173 1263801346 /nfs/dbraw/zinc/80/13/46/1263801346.db2.gz PSTQAAXOFWDRHJ-OAHLLOKOSA-N 2 0 362.478 0.440 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3CCNC3=O)CCCC2)CC[N@@H+]1C ZINC001495914683 1263843462 /nfs/dbraw/zinc/84/34/62/1263843462.db2.gz JGXHSPSEWJPOJU-HUUCEWRRSA-N 2 0 351.495 0.370 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320829685 1263867331 /nfs/dbraw/zinc/86/73/31/1263867331.db2.gz DYLNPVGAUFRLNL-UHFFFAOYSA-N 2 0 370.457 0.940 20 0 FCADRP C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001322003502 1264127995 /nfs/dbraw/zinc/12/79/95/1264127995.db2.gz WWEDZLWSYRXMBL-DLBZAZTESA-N 2 0 373.501 0.967 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(C)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001504909234 1264253684 /nfs/dbraw/zinc/25/36/84/1264253684.db2.gz BNXDSJCLODJWEN-HNNXBMFYSA-N 2 0 368.551 0.792 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001580400816 1278224387 /nfs/dbraw/zinc/22/43/87/1278224387.db2.gz OYYAPJUWVFMPGS-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506084439 1264289737 /nfs/dbraw/zinc/28/97/37/1264289737.db2.gz QWGCRWMSKBNROR-KFWWJZLASA-N 2 0 356.486 0.772 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506099985 1264292722 /nfs/dbraw/zinc/29/27/22/1264292722.db2.gz BJIBFGNRJNZZHS-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001322959946 1264302314 /nfs/dbraw/zinc/30/23/14/1264302314.db2.gz XOSVANBMYBJHSX-CVEARBPZSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001324566700 1264673273 /nfs/dbraw/zinc/67/32/73/1264673273.db2.gz ZBTZGGOBVKXIBZ-SJORKVTESA-N 2 0 359.474 0.719 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC001325087845 1264771534 /nfs/dbraw/zinc/77/15/34/1264771534.db2.gz ZHAJLSOZJIJRFT-FXAWDEMLSA-N 2 0 360.502 0.785 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CCO1 ZINC001325666458 1264963997 /nfs/dbraw/zinc/96/39/97/1264963997.db2.gz NLJGFYJZIYJPDL-MAUKXSAKSA-N 2 0 361.490 0.696 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580406311 1278240603 /nfs/dbraw/zinc/24/06/03/1278240603.db2.gz FVPFFXGSYPGAAM-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580406510 1278241324 /nfs/dbraw/zinc/24/13/24/1278241324.db2.gz MWXVFPJEZUGHKK-UKRRQHHQSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014702 1265043556 /nfs/dbraw/zinc/04/35/56/1265043556.db2.gz ZZOPBQAEVYRRDW-AWEZNQCLSA-N 2 0 361.494 0.101 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cccn3C3CC[NH2+]CC3)C2)nn1 ZINC001326597942 1265139040 /nfs/dbraw/zinc/13/90/40/1265139040.db2.gz IYFKUGANUBRIEE-MRXNPFEDSA-N 2 0 357.462 0.940 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)CC1 ZINC001327121708 1265237707 /nfs/dbraw/zinc/23/77/07/1265237707.db2.gz OWRQUSOWJVOYAL-LJQANCHMSA-N 2 0 368.497 0.869 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001514130245 1265325914 /nfs/dbraw/zinc/32/59/14/1265325914.db2.gz GTXADERYORSTDA-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001333311952 1266576469 /nfs/dbraw/zinc/57/64/69/1266576469.db2.gz WOTZICJMPHLXMQ-CQSZACIVSA-N 2 0 355.446 0.949 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001333397385 1266591702 /nfs/dbraw/zinc/59/17/02/1266591702.db2.gz JSTLRUJSDNNNEJ-IYARVYRRSA-N 2 0 358.486 0.868 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001333586369 1266640982 /nfs/dbraw/zinc/64/09/82/1266640982.db2.gz DYSMARRJLUNYPS-UHFFFAOYSA-N 2 0 365.522 0.988 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333618737 1266652712 /nfs/dbraw/zinc/65/27/12/1266652712.db2.gz NBOOMKVPUDYRRP-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001334313101 1266942172 /nfs/dbraw/zinc/94/21/72/1266942172.db2.gz FLXLWQUOLLQLSL-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CC1CN(C(=O)c2cccc(C(=O)N3CC(C[NH+](C)C)C3)c2N)C1 ZINC001334432648 1266999403 /nfs/dbraw/zinc/99/94/03/1266999403.db2.gz ASQOWGGGOUGRFM-UHFFFAOYSA-N 2 0 373.501 0.536 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001532989927 1267192657 /nfs/dbraw/zinc/19/26/57/1267192657.db2.gz DJSNBJPGWXVUME-BZUAXINKSA-N 2 0 358.502 0.923 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@@H]3C(N)=O)CC2)CC1 ZINC001548378531 1267690077 /nfs/dbraw/zinc/69/00/77/1267690077.db2.gz IXKHOQULZHGZJQ-WMZOPIPTSA-N 2 0 366.506 0.189 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549214360 1267858895 /nfs/dbraw/zinc/85/88/95/1267858895.db2.gz HRESZPMMERKJFN-CEXWTWQISA-N 2 0 357.502 0.821 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001549214791 1267858953 /nfs/dbraw/zinc/85/89/53/1267858953.db2.gz LVZKOFHFWFHVSL-GBESFXJTSA-N 2 0 357.502 0.821 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001549295093 1267893156 /nfs/dbraw/zinc/89/31/56/1267893156.db2.gz NFIGSTXRNQZXSU-INIZCTEOSA-N 2 0 362.478 0.433 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC001549296444 1267893455 /nfs/dbraw/zinc/89/34/55/1267893455.db2.gz PAHVPCWBCWJDHX-IXDOHACOSA-N 2 0 354.458 0.996 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@@H]([NH3+])[C@H](n4ccnn4)C3)C2)cc1 ZINC001549756514 1267990198 /nfs/dbraw/zinc/99/01/98/1267990198.db2.gz SZYAJTMONUYUAI-RCCFBDPRSA-N 2 0 369.473 0.755 20 0 FCADRP CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001550064372 1268068457 /nfs/dbraw/zinc/06/84/57/1268068457.db2.gz FGFNUDDPOAPOSR-QBPKDAKJSA-N 2 0 363.506 0.463 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)C1=O ZINC001550092340 1268073238 /nfs/dbraw/zinc/07/32/38/1268073238.db2.gz BIXNWEVCMPXZIX-CJNGLKHVSA-N 2 0 374.489 0.144 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cc1 ZINC001550114642 1268077197 /nfs/dbraw/zinc/07/71/97/1268077197.db2.gz YLHMBJHYZUOJTG-ULQDDVLXSA-N 2 0 360.458 0.207 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC001550199468 1268092208 /nfs/dbraw/zinc/09/22/08/1268092208.db2.gz FCKDWVADUGINAV-DOTOQJQBSA-N 2 0 370.457 0.998 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)cc1 ZINC001550202251 1268092247 /nfs/dbraw/zinc/09/22/47/1268092247.db2.gz RRTBFTDYAQONFH-WBVHZDCISA-N 2 0 370.457 0.916 20 0 FCADRP O=C(N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC001550387231 1268109087 /nfs/dbraw/zinc/10/90/87/1268109087.db2.gz AHTMCHKGUJGPLR-ADXGEFSYSA-N 2 0 365.518 0.981 20 0 FCADRP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486175 1268127663 /nfs/dbraw/zinc/12/76/63/1268127663.db2.gz KENYMCKZBHEERW-PRNMCOSDSA-N 2 0 365.518 0.836 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](O)C2 ZINC001550623193 1268141723 /nfs/dbraw/zinc/14/17/23/1268141723.db2.gz VHUGSNIEUIPRET-NEPXVJNWSA-N 2 0 353.507 0.693 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001550623189 1268142105 /nfs/dbraw/zinc/14/21/05/1268142105.db2.gz VHUGSNIEUIPRET-CAMMJAKZSA-N 2 0 353.507 0.693 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550757899 1268162723 /nfs/dbraw/zinc/16/27/23/1268162723.db2.gz CASYNULGUBQSBD-ARFHVFGLSA-N 2 0 354.495 0.506 20 0 FCADRP O=C(N[C@H]1CCO[C@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754919 1268163061 /nfs/dbraw/zinc/16/30/61/1268163061.db2.gz DSUAOSUBJZUYSE-ULQDDVLXSA-N 2 0 366.506 0.601 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC12CCOCC2 ZINC001550759471 1268164485 /nfs/dbraw/zinc/16/44/85/1268164485.db2.gz GGCPWUBBAIFFNE-LSDHHAIUSA-N 2 0 352.479 0.294 20 0 FCADRP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913956 1268184292 /nfs/dbraw/zinc/18/42/92/1268184292.db2.gz RUZZFMQKNXRQGO-PXNSSMCTSA-N 2 0 358.486 0.881 20 0 FCADRP Cn1cc(-c2cc(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)on2)cn1 ZINC001550913971 1268184519 /nfs/dbraw/zinc/18/45/19/1268184519.db2.gz QZCZXIIOXHEUOZ-MAUKXSAKSA-N 2 0 358.446 0.812 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001550980905 1268189425 /nfs/dbraw/zinc/18/94/25/1268189425.db2.gz SDHQEFZAPHMYSC-IXDOHACOSA-N 2 0 354.495 0.600 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC001551284739 1268223219 /nfs/dbraw/zinc/22/32/19/1268223219.db2.gz DOOVGGQATMIUFE-HFCFLWKCSA-N 2 0 368.522 0.992 20 0 FCADRP [NH3+][C@]1(CO)CCCN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001551467054 1268257910 /nfs/dbraw/zinc/25/79/10/1268257910.db2.gz BSOAPYBKBCYCBF-LJQANCHMSA-N 2 0 361.490 0.087 20 0 FCADRP C[N@H+]1[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@@H]2C[C@H]1CO ZINC001551477853 1268258820 /nfs/dbraw/zinc/25/88/20/1268258820.db2.gz HZVCDPGCXJXPPA-XOABRYBJSA-N 2 0 358.486 0.752 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001551495413 1268262509 /nfs/dbraw/zinc/26/25/09/1268262509.db2.gz CUEXBCUYXOSBKF-UPTPFMHGSA-N 2 0 354.495 0.779 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C[C@H]1C[NH+](C)C ZINC001551501961 1268262607 /nfs/dbraw/zinc/26/26/07/1268262607.db2.gz GHXDCJCQIKATPI-UKBAYJJMSA-N 3 0 359.518 0.992 20 0 FCADRP C[NH2+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551552964 1268265469 /nfs/dbraw/zinc/26/54/69/1268265469.db2.gz GDYVXJCOPQYDLL-YQQAZPJKSA-N 2 0 351.495 0.417 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1(C[NH3+])CCCCC1 ZINC001551554447 1268266694 /nfs/dbraw/zinc/26/66/94/1268266694.db2.gz JHWXWZVUIJDRFM-WBVHZDCISA-N 2 0 365.522 0.936 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001551558309 1268270177 /nfs/dbraw/zinc/27/01/77/1268270177.db2.gz YHPOGFBRBKIPSW-IEZWGBDMSA-N 2 0 363.506 0.561 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551564950 1268272918 /nfs/dbraw/zinc/27/29/18/1268272918.db2.gz VGQUAUCNCGFNHG-JLJPHGGASA-N 2 0 351.495 0.226 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC001551568358 1268273328 /nfs/dbraw/zinc/27/33/28/1268273328.db2.gz JDPQLRDGBYIZFI-KYJSFNMBSA-N 2 0 365.522 0.807 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551578075 1268276794 /nfs/dbraw/zinc/27/67/94/1268276794.db2.gz LZOGMFJJQRULJH-BFYDXBDKSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)C1CC(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551582048 1268277591 /nfs/dbraw/zinc/27/75/91/1268277591.db2.gz SVWSSPKWGDQOOT-MALUVHSTSA-N 2 0 351.495 0.273 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001551593000 1268281081 /nfs/dbraw/zinc/28/10/81/1268281081.db2.gz NUFCXDDIXDMMBH-RYRKJORJSA-N 2 0 363.506 0.513 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551590312 1268281164 /nfs/dbraw/zinc/28/11/64/1268281164.db2.gz YFCALHIMSCIMOI-RCDNUKIMSA-N 2 0 365.522 0.888 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551593954 1268282425 /nfs/dbraw/zinc/28/24/25/1268282425.db2.gz OOONCVXGBWSOFJ-INMHGKMJSA-N 2 0 351.495 0.369 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551598291 1268283237 /nfs/dbraw/zinc/28/32/37/1268283237.db2.gz XDBZOYURQTXKIQ-AEFFLSMTSA-N 2 0 365.522 0.805 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)n1 ZINC001552111538 1268379077 /nfs/dbraw/zinc/37/90/77/1268379077.db2.gz RJWWNCVWAAGOCU-RBSFLKMASA-N 2 0 350.467 0.554 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC001552154856 1268394947 /nfs/dbraw/zinc/39/49/47/1268394947.db2.gz URKRLEBMAWGTRW-KURKYZTESA-N 2 0 350.507 0.097 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH+](C3CCCC3)CC2)nn1 ZINC001552166549 1268398065 /nfs/dbraw/zinc/39/80/65/1268398065.db2.gz GVBSUYCKBKADMQ-WBVHZDCISA-N 2 0 362.478 0.067 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC001552184427 1268405198 /nfs/dbraw/zinc/40/51/98/1268405198.db2.gz CJYUZZHFJUWDHE-NFAWXSAZSA-N 2 0 363.428 0.593 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)nc2)CC1 ZINC001552202536 1268409283 /nfs/dbraw/zinc/40/92/83/1268409283.db2.gz ILKYSXZQXBJVLA-KUHUBIRLSA-N 2 0 359.474 0.787 20 0 FCADRP O=C(NCc1cn(C2CC[NH2+]CC2)nn1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001552212399 1268411466 /nfs/dbraw/zinc/41/14/66/1268411466.db2.gz OCMZTMGRLJVJHS-LJQANCHMSA-N 2 0 354.458 0.750 20 0 FCADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2C[C@H](O)C[C@@H]2C1 ZINC001552225481 1268416925 /nfs/dbraw/zinc/41/69/25/1268416925.db2.gz UPHLWCJUAIABCL-FPCVCCKLSA-N 2 0 362.478 0.089 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552250984 1268421333 /nfs/dbraw/zinc/42/13/33/1268421333.db2.gz FCXMHSYSEOOICO-KBAYOESNSA-N 2 0 358.486 0.910 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340103648 1268436409 /nfs/dbraw/zinc/43/64/09/1268436409.db2.gz BIGZLECJVXOFSV-FQEVSTJZSA-N 2 0 360.502 0.938 20 0 FCADRP CN1CCC[C@H]1c1cc(C(=O)N2C[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC001552307427 1268436712 /nfs/dbraw/zinc/43/67/12/1268436712.db2.gz UMZYRAZBFPLIQP-DAYGRLMNSA-N 2 0 362.522 0.988 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001340111647 1268438492 /nfs/dbraw/zinc/43/84/92/1268438492.db2.gz GPPIFVFVOKUGPN-IRXDYDNUSA-N 2 0 361.490 0.152 20 0 FCADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C[C@@H]2C1 ZINC001552337669 1268444887 /nfs/dbraw/zinc/44/48/87/1268444887.db2.gz GEJPVIJHAXPXTB-IVSAIRAKSA-N 2 0 361.494 0.814 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340154267 1268453437 /nfs/dbraw/zinc/45/34/37/1268453437.db2.gz HZBWFNAPEIRSKC-WBVHZDCISA-N 2 0 354.495 0.236 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434310 1268462199 /nfs/dbraw/zinc/46/21/99/1268462199.db2.gz IREWHUJSJPDYFA-JKSUJKDBSA-N 2 0 362.478 0.494 20 0 FCADRP Cc1c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435275 1268462551 /nfs/dbraw/zinc/46/25/51/1268462551.db2.gz KAAFLNQOGMWIMT-BBRMVZONSA-N 2 0 364.494 0.286 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)CC1 ZINC001552436110 1268462984 /nfs/dbraw/zinc/46/29/84/1268462984.db2.gz ZZERCMUXBGQWRC-HOTGVXAUSA-N 2 0 360.506 0.727 20 0 FCADRP O=C(NCc1cn(C2CC[NH2+]CC2)nn1)c1cc(C2CC[NH2+]CC2)no1 ZINC001552438543 1268464865 /nfs/dbraw/zinc/46/48/65/1268464865.db2.gz NEAHXWNERIKZGS-UHFFFAOYSA-N 2 0 359.434 0.588 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001340321388 1268509442 /nfs/dbraw/zinc/50/94/42/1268509442.db2.gz XOKRXKDPVMAAJQ-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1n1cc(C(=O)N2CC3(CC[NH2+]CC3)[C@H]3COC[C@H]32)nn1 ZINC001552697804 1268523279 /nfs/dbraw/zinc/52/32/79/1268523279.db2.gz PRLRLXRJGGSMOM-HDEZJCGLSA-N 2 0 374.489 0.561 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001552803560 1268551018 /nfs/dbraw/zinc/55/10/18/1268551018.db2.gz COHJUANMZFZBHP-SFHVURJKSA-N 2 0 366.554 0.044 20 0 FCADRP [NH3+]C[C@@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)C(F)(F)F ZINC001552842480 1268558542 /nfs/dbraw/zinc/55/85/42/1268558542.db2.gz AHDYGEFMWQOPAF-SSDOTTSWSA-N 2 0 356.299 0.760 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CC2)CC1 ZINC001552899847 1268563857 /nfs/dbraw/zinc/56/38/57/1268563857.db2.gz DXZWPSBGBCEXIQ-INIZCTEOSA-N 2 0 363.506 0.739 20 0 FCADRP [NH3+][C@H]1CCO[C@@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC001552914528 1268565181 /nfs/dbraw/zinc/56/51/81/1268565181.db2.gz RSZQFTFIXQYNOV-FUHWJXTLSA-N 2 0 359.474 0.460 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957495 1268569094 /nfs/dbraw/zinc/56/90/94/1268569094.db2.gz JHNNDZSIESHBLP-ROUUACIJSA-N 2 0 357.502 0.905 20 0 FCADRP O=C(c1cnc([C@H]2CCC[NH2+]2)nc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355711 1268635964 /nfs/dbraw/zinc/63/59/64/1268635964.db2.gz VBXLWQNNOGVZKB-GOEBONIOSA-N 2 0 372.473 0.185 20 0 FCADRP O=C(c1cnc([C@@H]2CCC[NH2+]2)nc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355714 1268636284 /nfs/dbraw/zinc/63/62/84/1268636284.db2.gz VBXLWQNNOGVZKB-ZBFHGGJFSA-N 2 0 372.473 0.185 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@H]2C1 ZINC001553389251 1268642492 /nfs/dbraw/zinc/64/24/92/1268642492.db2.gz KXMPABRIJGBKTR-OXJNMPFZSA-N 2 0 372.469 0.639 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450239 1268652617 /nfs/dbraw/zinc/65/26/17/1268652617.db2.gz ITFIGLJHLBAEOG-NVXWUHKLSA-N 2 0 365.522 0.223 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001553451192 1268653402 /nfs/dbraw/zinc/65/34/02/1268653402.db2.gz AYCFPMJRGXYQRS-RDJZCZTQSA-N 2 0 366.506 0.555 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C[C@H]3F)n2)C1 ZINC001553544707 1268666751 /nfs/dbraw/zinc/66/67/51/1268666751.db2.gz BZSVUOHDIQJYPS-BPLDGKMQSA-N 2 0 350.442 0.508 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2[C@@H]3CCCC[NH2+][C@H]23)CC1 ZINC001553555312 1268669290 /nfs/dbraw/zinc/66/92/90/1268669290.db2.gz JJJVADAVSMOGLM-OWCLPIDISA-N 2 0 363.506 0.642 20 0 FCADRP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001553620491 1268671039 /nfs/dbraw/zinc/67/10/39/1268671039.db2.gz GNLFFKMNPVHHRJ-OTRWWLKZSA-N 2 0 361.490 0.447 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001340835982 1268675271 /nfs/dbraw/zinc/67/52/71/1268675271.db2.gz DCGBUSFMBHUIAG-UHFFFAOYSA-N 2 0 350.467 0.183 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC001340892415 1268696664 /nfs/dbraw/zinc/69/66/64/1268696664.db2.gz GFNXKOWEELZPQJ-SFHVURJKSA-N 2 0 361.490 0.155 20 0 FCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340895695 1268698398 /nfs/dbraw/zinc/69/83/98/1268698398.db2.gz WQONLDVWDDJRPP-CQSZACIVSA-N 2 0 374.407 0.783 20 0 FCADRP CC[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCO[C@H](CC)C1 ZINC001340922523 1268710327 /nfs/dbraw/zinc/71/03/27/1268710327.db2.gz MIGUTUJVHUIADQ-GVDBMIGSSA-N 2 0 368.522 0.722 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001341685911 1269151531 /nfs/dbraw/zinc/15/15/31/1269151531.db2.gz ZQQIJBJOQPLRFC-WBVHZDCISA-N 2 0 359.474 0.226 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC001341697500 1269156920 /nfs/dbraw/zinc/15/69/20/1269156920.db2.gz RPDQHNBJFSVQHS-NRFANRHFSA-N 2 0 374.529 0.767 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001341732108 1269174909 /nfs/dbraw/zinc/17/49/09/1269174909.db2.gz IDJQNFOPTALPEZ-HXUWFJFHSA-N 2 0 360.502 0.939 20 0 FCADRP O=C(c1cnc(C2CC[NH2+]CC2)o1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001341750020 1269184654 /nfs/dbraw/zinc/18/46/54/1269184654.db2.gz DKRIOCVDQVGKTG-CQSZACIVSA-N 2 0 361.446 0.178 20 0 FCADRP COCCn1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC001560505310 1269203673 /nfs/dbraw/zinc/20/36/73/1269203673.db2.gz SEFXSIRASCNYMO-UHFFFAOYSA-N 2 0 351.495 0.416 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958420 1269279135 /nfs/dbraw/zinc/27/91/35/1269279135.db2.gz MWHJDLWTAKCUSP-FUHWJXTLSA-N 2 0 373.501 0.297 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001566649402 1269654843 /nfs/dbraw/zinc/65/48/43/1269654843.db2.gz SFBWYAMDLANZIE-KZNAEPCWSA-N 2 0 352.523 0.487 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2cc[nH]c21 ZINC001343400150 1269895560 /nfs/dbraw/zinc/89/55/60/1269895560.db2.gz KITCYLCBIKAKSA-UHFFFAOYSA-N 2 0 359.474 0.736 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607787 1278566477 /nfs/dbraw/zinc/56/64/77/1278566477.db2.gz AOIAWXRNMRGQLQ-LSDHHAIUSA-N 2 0 353.532 0.967 20 0 FCADRP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580617776 1278571639 /nfs/dbraw/zinc/57/16/39/1278571639.db2.gz KAFHGYPWZQLEAD-OAGGEKHMSA-N 2 0 353.463 0.877 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974654 1270967892 /nfs/dbraw/zinc/96/78/92/1270967892.db2.gz OMKIEUDKNAYZQF-XJKSGUPXSA-N 2 0 372.477 0.530 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573976074 1270970704 /nfs/dbraw/zinc/97/07/04/1270970704.db2.gz WCSWDUFZFQQYIS-CVEARBPZSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573977958 1270971976 /nfs/dbraw/zinc/97/19/76/1270971976.db2.gz RXZKAVJRIAQRJI-HOTGVXAUSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573982360 1270974320 /nfs/dbraw/zinc/97/43/20/1270974320.db2.gz NSJNBSOMHJEFAC-TYNCELHUSA-N 2 0 358.450 0.329 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574260382 1271132249 /nfs/dbraw/zinc/13/22/49/1271132249.db2.gz HJIPZFAWLYMIKW-HZPDHXFCSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574286491 1271160758 /nfs/dbraw/zinc/16/07/58/1271160758.db2.gz MOWKJCILWNYQBP-CYBMUJFWSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574542981 1271324980 /nfs/dbraw/zinc/32/49/80/1271324980.db2.gz GVJKNKOFTLVSLC-OLZOCXBDSA-N 2 0 370.461 0.475 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543191 1271327057 /nfs/dbraw/zinc/32/70/57/1271327057.db2.gz GXHKVFQRJLJMLV-STQMWFEESA-N 2 0 360.466 0.719 20 0 FCADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574589792 1271389408 /nfs/dbraw/zinc/38/94/08/1271389408.db2.gz XJWSGHXGHWIYNZ-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603275 1271407732 /nfs/dbraw/zinc/40/77/32/1271407732.db2.gz BLQLWIAWAJOQAY-OLZOCXBDSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574606258 1271413404 /nfs/dbraw/zinc/41/34/04/1271413404.db2.gz GKZRXAYTTZQHQI-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574803641 1271539889 /nfs/dbraw/zinc/53/98/89/1271539889.db2.gz FUIPIOHAPMJJPA-JHJVBQTASA-N 2 0 358.450 0.543 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574805398 1271544662 /nfs/dbraw/zinc/54/46/62/1271544662.db2.gz RWBOHRCQOZLZMT-SWLSCSKDSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853706 1271603409 /nfs/dbraw/zinc/60/34/09/1271603409.db2.gz CNWWGRFULALPRY-CYBMUJFWSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574854635 1271608400 /nfs/dbraw/zinc/60/84/00/1271608400.db2.gz RPQGNFJLWLPQJD-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874825 1271629366 /nfs/dbraw/zinc/62/93/66/1271629366.db2.gz DVHZWCKLRIWVCF-WCQYABFASA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877489 1271635664 /nfs/dbraw/zinc/63/56/64/1271635664.db2.gz SGLICDYCEWUKKV-BBRMVZONSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896802 1271659086 /nfs/dbraw/zinc/65/90/86/1271659086.db2.gz INKRAXJBKQYZMT-STQMWFEESA-N 2 0 358.450 0.544 20 0 FCADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896800 1271659539 /nfs/dbraw/zinc/65/95/39/1271659539.db2.gz INKRAXJBKQYZMT-OLZOCXBDSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574901667 1271664674 /nfs/dbraw/zinc/66/46/74/1271664674.db2.gz GZEJAQRZZYIPDV-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574910582 1271676864 /nfs/dbraw/zinc/67/68/64/1271676864.db2.gz FEMNUAABCDWARL-ZDUSSCGKSA-N 2 0 358.450 0.476 20 0 FCADRP CC(C)(C)OC(=O)COCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001575160460 1271757456 /nfs/dbraw/zinc/75/74/56/1271757456.db2.gz LUMYLUVTAQMZNS-UHFFFAOYSA-N 2 0 350.419 0.788 20 0 FCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575403515 1272053785 /nfs/dbraw/zinc/05/37/85/1272053785.db2.gz WTGSZZZDWNNNSP-UONOGXRCSA-N 2 0 369.473 0.945 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419481 1272075074 /nfs/dbraw/zinc/07/50/74/1272075074.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 0 364.494 0.163 20 0 FCADRP CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH3+])C1)[NH+](C)C ZINC001575545889 1272189147 /nfs/dbraw/zinc/18/91/47/1272189147.db2.gz QTQIJMHIMVDWCK-ZNMIVQPWSA-N 2 0 363.510 0.743 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CCc2cn[nH]n2)C1 ZINC001575566661 1272202139 /nfs/dbraw/zinc/20/21/39/1272202139.db2.gz LEVLMSKUBYQHLT-HZPDHXFCSA-N 2 0 364.494 0.144 20 0 FCADRP CC(C)C[C@H](NC(=O)NCc1cc(N)cc[nH+]1)C(=O)NCC[NH+](C)C ZINC001575645494 1272251819 /nfs/dbraw/zinc/25/18/19/1272251819.db2.gz CXSAMQNRTZGOHO-HNNXBMFYSA-N 2 0 350.467 0.556 20 0 FCADRP CC(C)Cc1nnc(N2CCC(C[NH3+])CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001575665687 1272278442 /nfs/dbraw/zinc/27/84/42/1272278442.db2.gz WKWINLOAYCCVSK-GOSISDBHSA-N 2 0 350.511 0.718 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC2([NH3+])COC2)CC1 ZINC001575697259 1272318813 /nfs/dbraw/zinc/31/88/13/1272318813.db2.gz CUMRLSXMXJIMIN-AWEZNQCLSA-N 2 0 350.467 0.040 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001575701725 1272322257 /nfs/dbraw/zinc/32/22/57/1272322257.db2.gz GPFDZBPHNUZSEX-KDOFPFPSSA-N 2 0 372.473 0.886 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[NH+]1CCCCC1 ZINC001575711806 1272351563 /nfs/dbraw/zinc/35/15/63/1272351563.db2.gz LEKVFHAMUQYLDU-OAHLLOKOSA-N 2 0 363.510 0.830 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH2+][C@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001575716336 1272359776 /nfs/dbraw/zinc/35/97/76/1272359776.db2.gz PAIVFLBAMPGWLQ-OAHLLOKOSA-N 2 0 361.494 0.476 20 0 FCADRP C[C@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCCCC1 ZINC001575933938 1272566417 /nfs/dbraw/zinc/56/64/17/1272566417.db2.gz XXBHAIHPDJVGDP-KFWWJZLASA-N 2 0 363.510 0.669 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989788 1272650765 /nfs/dbraw/zinc/65/07/65/1272650765.db2.gz CJGWVDUHHYYXJX-RBSFLKMASA-N 2 0 363.510 0.684 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCC[NH+](C)C ZINC001576053724 1272785711 /nfs/dbraw/zinc/78/57/11/1272785711.db2.gz VJNGMMKGBYYPHS-QWHCGFSZSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH2+]CC1)[NH+](C)C ZINC001576066191 1272819471 /nfs/dbraw/zinc/81/94/71/1272819471.db2.gz RYIGDKDGLISWID-CYBMUJFWSA-N 2 0 358.450 0.285 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN2C(=O)CC[C@@H]2C1)[NH+](C)C ZINC001576070404 1272829657 /nfs/dbraw/zinc/82/96/57/1272829657.db2.gz JUZRFWZCYQGOAK-KFWWJZLASA-N 2 0 361.494 0.464 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576114140 1272904112 /nfs/dbraw/zinc/90/41/12/1272904112.db2.gz FMBJRPBZYKSIJH-BETUJISGSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cn[nH]n1)CC2)[NH+](C)C ZINC001576182616 1272978948 /nfs/dbraw/zinc/97/89/48/1272978948.db2.gz APBIVDWTRWZFFA-CVEARBPZSA-N 2 0 364.494 0.632 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCN(S(C)(=O)=O)CC1 ZINC001576243388 1273020250 /nfs/dbraw/zinc/02/02/50/1273020250.db2.gz BQPLDRMXXUEBOX-HOCLYGCPSA-N 2 0 359.536 0.795 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576247346 1273026545 /nfs/dbraw/zinc/02/65/45/1273026545.db2.gz OJJROHAVZBHDJQ-BBRMVZONSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576483278 1273323418 /nfs/dbraw/zinc/32/34/18/1273323418.db2.gz SEPRIMUEPMEHPS-HIFRSBDPSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@H](C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576482903 1273324043 /nfs/dbraw/zinc/32/40/43/1273324043.db2.gz OZHZBHKIRYSVET-SWLSCSKDSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@H](C(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576484002 1273326764 /nfs/dbraw/zinc/32/67/64/1273326764.db2.gz YDPCJZQIAZJPJT-CQSZACIVSA-N 2 0 360.466 0.805 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497081 1273353126 /nfs/dbraw/zinc/35/31/26/1273353126.db2.gz BSCYYSOXCZPUAQ-CVEARBPZSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576506665 1273377377 /nfs/dbraw/zinc/37/73/77/1273377377.db2.gz RQHPGMZNSOUUOF-HNNXBMFYSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576508263 1273380224 /nfs/dbraw/zinc/38/02/24/1273380224.db2.gz FWRKHXQKFZPFEL-XHSDSOJGSA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576513065 1273392354 /nfs/dbraw/zinc/39/23/54/1273392354.db2.gz UJGJJYNZWSMZLG-LALPHHSUSA-N 2 0 358.450 0.391 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576512808 1273392953 /nfs/dbraw/zinc/39/29/53/1273392953.db2.gz SQIQZLNWBNUIKN-ZENOOKHLSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@@H](C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576520599 1273403855 /nfs/dbraw/zinc/40/38/55/1273403855.db2.gz PWIHGDUXGFSAQM-KBXCAEBGSA-N 2 0 372.477 0.995 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715117 1273586217 /nfs/dbraw/zinc/58/62/17/1273586217.db2.gz SFFDZYRYDGYZMK-RBSFLKMASA-N 2 0 361.494 0.512 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CS(=O)(=O)C3)CC1 ZINC001576729745 1273598508 /nfs/dbraw/zinc/59/85/08/1273598508.db2.gz XKLLSLRETKUIQR-NVXWUHKLSA-N 2 0 357.520 0.249 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576748218 1273619700 /nfs/dbraw/zinc/61/97/00/1273619700.db2.gz VGTYTVFBTKKFPU-HOCLYGCPSA-N 2 0 364.494 0.680 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)N1CCNCC1=O ZINC001576760285 1273634168 /nfs/dbraw/zinc/63/41/68/1273634168.db2.gz NIRCHTWUEXPDAZ-ZACQAIPSSA-N 2 0 358.486 0.928 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789383 1273683355 /nfs/dbraw/zinc/68/33/55/1273683355.db2.gz GENLPVQZHQIVER-JKSUJKDBSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576794929 1273696277 /nfs/dbraw/zinc/69/62/77/1273696277.db2.gz GYESHAKWGAFCFN-HIFRSBDPSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828554 1273754494 /nfs/dbraw/zinc/75/44/94/1273754494.db2.gz IHNKCSFPNPHLDR-ZBFHGGJFSA-N 2 0 361.538 0.965 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902199 1273906590 /nfs/dbraw/zinc/90/65/90/1273906590.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 0 364.494 0.165 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902875 1273908658 /nfs/dbraw/zinc/90/86/58/1273908658.db2.gz GHEAOACJRZJPSZ-HOTGVXAUSA-N 2 0 362.478 0.181 20 0 FCADRP C[C@@H](C[NH2+]CCc1cn[nH]n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001577138880 1274190277 /nfs/dbraw/zinc/19/02/77/1274190277.db2.gz UJHRKGFFMUDLAZ-QGTPRVQTSA-N 2 0 356.474 0.787 20 0 FCADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577165849 1274209734 /nfs/dbraw/zinc/20/97/34/1274209734.db2.gz QOJDDAAPKBSREK-UKRRQHHQSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CC[NH2+]CC1 ZINC001577507248 1274459418 /nfs/dbraw/zinc/45/94/18/1274459418.db2.gz KMKOMXXUZATEJN-UHFFFAOYSA-N 2 0 363.510 0.542 20 0 FCADRP CCC[N@H+](C)CC(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577550283 1274489080 /nfs/dbraw/zinc/48/90/80/1274489080.db2.gz CGZBHQURWNYFCY-UHFFFAOYSA-N 2 0 360.466 0.594 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551773 1274491445 /nfs/dbraw/zinc/49/14/45/1274491445.db2.gz UXJVUCMIKOOBLA-UONOGXRCSA-N 2 0 372.477 0.532 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551764 1274491716 /nfs/dbraw/zinc/49/17/16/1274491716.db2.gz UXJVUCMIKOOBLA-KBPBESRZSA-N 2 0 372.477 0.532 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577553793 1274495766 /nfs/dbraw/zinc/49/57/66/1274495766.db2.gz IYOHRCWZWGKOCJ-DZGCQCFKSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577555392 1274496500 /nfs/dbraw/zinc/49/65/00/1274496500.db2.gz ZDDCFYGHMMZQAS-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555336 1274497190 /nfs/dbraw/zinc/49/71/90/1274497190.db2.gz YFFSDWFDIOKWGT-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577555088 1274497610 /nfs/dbraw/zinc/49/76/10/1274497610.db2.gz XQZCGDLDNUEXBJ-HIFRSBDPSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577559288 1274504146 /nfs/dbraw/zinc/50/41/46/1274504146.db2.gz WFOQFPMPHQBLAV-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560209 1274506095 /nfs/dbraw/zinc/50/60/95/1274506095.db2.gz BIIBTXWWQFAGPR-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563763 1274517561 /nfs/dbraw/zinc/51/75/61/1274517561.db2.gz ZYHDXBFLOSXEGJ-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565342 1274519953 /nfs/dbraw/zinc/51/99/53/1274519953.db2.gz QLYNODVXBZLERD-JOCQHMNTSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565449 1274522907 /nfs/dbraw/zinc/52/29/07/1274522907.db2.gz XIQQAXCFCJWSRN-BETUJISGSA-N 2 0 358.450 0.393 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577567864 1274524440 /nfs/dbraw/zinc/52/44/40/1274524440.db2.gz JMTPSYLCIDVKLY-UKRRQHHQSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664770 1274677746 /nfs/dbraw/zinc/67/77/46/1274677746.db2.gz IGAKHMFOEJMUFV-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668844 1274693942 /nfs/dbraw/zinc/69/39/42/1274693942.db2.gz NPNMXXUHPWWOFY-CZUORRHYSA-N 2 0 372.477 0.783 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673908 1274708822 /nfs/dbraw/zinc/70/88/22/1274708822.db2.gz ZXVDOKPVFCTJJO-CZUORRHYSA-N 2 0 372.477 0.783 20 0 FCADRP CCN(CC[NH3+])C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001577718628 1274780469 /nfs/dbraw/zinc/78/04/69/1274780469.db2.gz BCHBNQPQYGSISG-UHFFFAOYSA-N 2 0 357.499 0.966 20 0 FCADRP CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC001577731010 1274807617 /nfs/dbraw/zinc/80/76/17/1274807617.db2.gz CVMQAYCSYBALBE-HNNXBMFYSA-N 2 0 359.478 0.921 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001577767954 1274854207 /nfs/dbraw/zinc/85/42/07/1274854207.db2.gz RYDOCPLIICBZHA-UHFFFAOYSA-N 3 0 351.539 0.300 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)C1 ZINC001577774158 1274864699 /nfs/dbraw/zinc/86/46/99/1274864699.db2.gz UFHAJVLNZCEZGM-ZNMIVQPWSA-N 2 0 361.494 0.293 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001577778234 1274871823 /nfs/dbraw/zinc/87/18/23/1274871823.db2.gz NNTINYUTAATRNH-JKSUJKDBSA-N 2 0 355.527 0.816 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)C[C@H]1C ZINC001577780737 1274876823 /nfs/dbraw/zinc/87/68/23/1274876823.db2.gz DYAORUVQOIAPDN-KGLIPLIRSA-N 2 0 359.482 0.410 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577780766 1274876927 /nfs/dbraw/zinc/87/69/27/1274876927.db2.gz FMZUDZIUQXPRSJ-ZIAGYGMSSA-N 2 0 372.477 0.803 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849163 1274983640 /nfs/dbraw/zinc/98/36/40/1274983640.db2.gz DYKSGFJQUJOGGV-ZDUSSCGKSA-N 2 0 360.466 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577856280 1275007272 /nfs/dbraw/zinc/00/72/72/1275007272.db2.gz VQTHXQLJCIMJMB-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577856308 1275012797 /nfs/dbraw/zinc/01/27/97/1275012797.db2.gz WSDKXNKRFHOMHV-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862866 1275028799 /nfs/dbraw/zinc/02/87/99/1275028799.db2.gz LYHCPSLLTFJPIB-UKRRQHHQSA-N 2 0 372.477 0.722 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863720 1275039453 /nfs/dbraw/zinc/03/94/53/1275039453.db2.gz YZNXBBCQTMKBTK-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577866199 1275044019 /nfs/dbraw/zinc/04/40/19/1275044019.db2.gz BXAZNNABRYEAHO-UHFFFAOYSA-N 2 0 358.450 0.395 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001577866540 1275047413 /nfs/dbraw/zinc/04/74/13/1275047413.db2.gz IGTMIUBFYSWNRP-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577871406 1275062298 /nfs/dbraw/zinc/06/22/98/1275062298.db2.gz GHQWUVVOQNAIGA-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577883242 1275086504 /nfs/dbraw/zinc/08/65/04/1275086504.db2.gz XKQQAOWPPKZVRG-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577885617 1275088597 /nfs/dbraw/zinc/08/85/97/1275088597.db2.gz IHSMMUJXSUYYIN-HIFRSBDPSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577892855 1275102264 /nfs/dbraw/zinc/10/22/64/1275102264.db2.gz UKLKKOYECHGXFF-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577902409 1275111550 /nfs/dbraw/zinc/11/15/50/1275111550.db2.gz DFAPJJHYXBBPCM-YPMHNXCESA-N 2 0 364.429 0.280 20 0 FCADRP CCN(CCNC(=O)C12CC[NH+](CC1)C2)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577934252 1275150061 /nfs/dbraw/zinc/15/00/61/1275150061.db2.gz RKEDIMPLKCDTNO-UHFFFAOYSA-N 2 0 370.461 0.608 20 0 FCADRP O=C(NC[C@H](CO)[NH2+]CCc1cn[nH]n1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986372 1275224600 /nfs/dbraw/zinc/22/46/00/1275224600.db2.gz AVBGLGFUBQTAPE-WBVHZDCISA-N 2 0 364.494 0.211 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578055240 1275346574 /nfs/dbraw/zinc/34/65/74/1275346574.db2.gz PNDQSBDJNHQCEN-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001578109930 1275412272 /nfs/dbraw/zinc/41/22/72/1275412272.db2.gz NHWUNDFAVVLHSH-HNNXBMFYSA-N 2 0 358.450 0.347 20 0 FCADRP CCOCCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578115266 1275417083 /nfs/dbraw/zinc/41/70/83/1275417083.db2.gz DHPXOBZUFNANSK-MAUKXSAKSA-N 2 0 366.510 0.632 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001578134945 1275433774 /nfs/dbraw/zinc/43/37/74/1275433774.db2.gz HJWLOZWAWCJTFO-HNNXBMFYSA-N 2 0 365.526 0.378 20 0 FCADRP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001580805835 1278964435 /nfs/dbraw/zinc/96/44/35/1278964435.db2.gz YAYWKRMUKMGFLU-CVEARBPZSA-N 2 0 358.442 0.560 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001578399038 1275773708 /nfs/dbraw/zinc/77/37/08/1275773708.db2.gz NXEFJKVZBKOVDN-CABCVRRESA-N 2 0 351.495 0.180 20 0 FCADRP C[NH+](C)C1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H]([NH3+])C2)CCOCC1 ZINC001578411489 1275782417 /nfs/dbraw/zinc/78/24/17/1275782417.db2.gz UPDNGYYMTSUUHF-LSDHHAIUSA-N 2 0 364.494 0.778 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)n1 ZINC001578418783 1275787454 /nfs/dbraw/zinc/78/74/54/1275787454.db2.gz HWGSQMHANVUTFK-CQSZACIVSA-N 2 0 356.430 0.909 20 0 FCADRP C[NH+](C)CCOCCn1c(-c2cccnc2)nnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001578419134 1275787666 /nfs/dbraw/zinc/78/76/66/1275787666.db2.gz WXLRODWMOFCRJN-CALCHBBNSA-N 2 0 371.489 0.574 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001578418220 1275787842 /nfs/dbraw/zinc/78/78/42/1275787842.db2.gz ZAZIFIQKIOBASY-HOTGVXAUSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447463 1275842464 /nfs/dbraw/zinc/84/24/64/1275842464.db2.gz SNNZSBQAJNSRPF-KCQAQPDRSA-N 2 0 372.477 0.933 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578448894 1275843990 /nfs/dbraw/zinc/84/39/90/1275843990.db2.gz MGTMGSDWJFWUCA-DVOMOZLQSA-N 2 0 372.477 0.639 20 0 FCADRP CN(c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CC=CCC1)C1CC[NH2+]CC1 ZINC001578508214 1275940213 /nfs/dbraw/zinc/94/02/13/1275940213.db2.gz CGLMJQDUHWSKCB-MRXNPFEDSA-N 2 0 373.505 0.679 20 0 FCADRP CN(c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CC=CCC1)C1CC[NH2+]CC1 ZINC001578508213 1275940610 /nfs/dbraw/zinc/94/06/10/1275940610.db2.gz CGLMJQDUHWSKCB-INIZCTEOSA-N 2 0 373.505 0.679 20 0 FCADRP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525016 1275958230 /nfs/dbraw/zinc/95/82/30/1275958230.db2.gz MJXOMTIEPDDZJG-DLBZAZTESA-N 2 0 352.523 0.900 20 0 FCADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578524247 1275958413 /nfs/dbraw/zinc/95/84/13/1275958413.db2.gz CANAKPXTURPFKE-FGTMMUONSA-N 2 0 352.523 0.770 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529713 1275961642 /nfs/dbraw/zinc/96/16/42/1275961642.db2.gz YLQVBRYLCSUBQA-RRFJBIMHSA-N 2 0 350.463 0.550 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001578533545 1275965157 /nfs/dbraw/zinc/96/51/57/1275965157.db2.gz MVRJWPAUAXHDEA-QGZVFWFLSA-N 2 0 358.552 0.562 20 0 FCADRP C[NH2+][C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578577693 1276011519 /nfs/dbraw/zinc/01/15/19/1276011519.db2.gz YVVSYMAZIHAILA-CQSZACIVSA-N 2 0 356.478 0.875 20 0 FCADRP C[NH2+][C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578578704 1276012591 /nfs/dbraw/zinc/01/25/91/1276012591.db2.gz IEMOUBVFUYTSKA-UKRRQHHQSA-N 2 0 361.494 0.369 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)C2 ZINC001578841491 1276359943 /nfs/dbraw/zinc/35/99/43/1276359943.db2.gz GJFGTIBPAKRECN-ZXFNITATSA-N 2 0 352.479 0.640 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC001578843440 1276363051 /nfs/dbraw/zinc/36/30/51/1276363051.db2.gz UBVVEYUYSJRILH-NTODXPRQSA-N 2 0 364.490 0.925 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCC[NH+]1CCC(C)CC1)C2 ZINC001578843462 1276363450 /nfs/dbraw/zinc/36/34/50/1276363450.db2.gz UZWXFTUORQVJOE-RVKKMQEKSA-N 2 0 352.479 0.640 20 0 FCADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578848371 1276369006 /nfs/dbraw/zinc/36/90/06/1276369006.db2.gz YUILNBFFDOJAOT-UHFFFAOYSA-N 2 0 370.461 0.569 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578970991 1276515299 /nfs/dbraw/zinc/51/52/99/1276515299.db2.gz PZNMLZTZEBOOKY-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578972925 1276517904 /nfs/dbraw/zinc/51/79/04/1276517904.db2.gz FKHGOELWQKAPIH-LBPRGKRZSA-N 2 0 363.491 0.913 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001578973954 1276520900 /nfs/dbraw/zinc/52/09/00/1276520900.db2.gz DJKAVLWIAIWBEA-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578975548 1276524645 /nfs/dbraw/zinc/52/46/45/1276524645.db2.gz AYAYXJLFHJJLLE-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977024 1276530003 /nfs/dbraw/zinc/53/00/03/1276530003.db2.gz IZERVUCQNWBUIN-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578980572 1276540111 /nfs/dbraw/zinc/54/01/11/1276540111.db2.gz LNIUVINGEMCPLB-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001578980236 1276540246 /nfs/dbraw/zinc/54/02/46/1276540246.db2.gz DSLSDTTXHIQTLW-UHFFFAOYSA-N 2 0 358.450 0.476 20 0 FCADRP C[NH+](C)CCC(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578981515 1276541974 /nfs/dbraw/zinc/54/19/74/1276541974.db2.gz YHFPVYOIHVBADD-UHFFFAOYSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987857 1276560691 /nfs/dbraw/zinc/56/06/91/1276560691.db2.gz UNNQKBXFUCDOBG-BETUJISGSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578988512 1276562348 /nfs/dbraw/zinc/56/23/48/1276562348.db2.gz YZBHPVBVQGPIEY-OKILXGFUSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578990759 1276563917 /nfs/dbraw/zinc/56/39/17/1276563917.db2.gz ITCYKFQIYRYAKB-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579004916 1276574213 /nfs/dbraw/zinc/57/42/13/1276574213.db2.gz WENDVCBDDPTVFV-UHFFFAOYSA-N 2 0 370.461 0.569 20 0 FCADRP C[N@H+](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)CC(C)(C)C ZINC001579016973 1276591846 /nfs/dbraw/zinc/59/18/46/1276591846.db2.gz ZQNFOLIPVMXWOS-UHFFFAOYSA-N 2 0 372.477 0.722 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001579032763 1276617854 /nfs/dbraw/zinc/61/78/54/1276617854.db2.gz JEGUZNLLNBLCFC-PVAVHDDUSA-N 2 0 354.495 0.648 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH3+])C[C@H]1C ZINC001579038377 1276622587 /nfs/dbraw/zinc/62/25/87/1276622587.db2.gz GOAQXHMVZPYYEP-HUUCEWRRSA-N 2 0 374.493 0.487 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001579082319 1276709627 /nfs/dbraw/zinc/70/96/27/1276709627.db2.gz ZBJXLQPPVIOEOD-VGWMRTNUSA-N 2 0 366.510 0.750 20 0 FCADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001579133344 1276826361 /nfs/dbraw/zinc/82/63/61/1276826361.db2.gz XIXPUOIPQULWRP-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175684 1276933748 /nfs/dbraw/zinc/93/37/48/1276933748.db2.gz CVMZSDZNJZCRFR-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176243 1276935597 /nfs/dbraw/zinc/93/55/97/1276935597.db2.gz JDVKIBHADYGQBU-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579255722 1277050403 /nfs/dbraw/zinc/05/04/03/1277050403.db2.gz DEKJBHOYTYCEIU-QGZVFWFLSA-N 2 0 369.473 0.995 20 0 FCADRP COc1cccc([C@H](CNC(=O)[C@@]2(F)C[NH2+]CC23COC3)[NH+](C)C)c1 ZINC001579258850 1277055731 /nfs/dbraw/zinc/05/57/31/1277055731.db2.gz CJLCYUMUZSQKJF-YJBOKZPZSA-N 2 0 351.422 0.742 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325161 1277142609 /nfs/dbraw/zinc/14/26/09/1277142609.db2.gz AZPFCQAVPGZKEK-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325465 1277146151 /nfs/dbraw/zinc/14/61/51/1277146151.db2.gz CWQBBQUNPWPODO-KGLIPLIRSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326967 1277153292 /nfs/dbraw/zinc/15/32/92/1277153292.db2.gz NJHOPNUITNHSMT-GDBMZVCRSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333736 1277168840 /nfs/dbraw/zinc/16/88/40/1277168840.db2.gz SNJAXOHZDYTLDV-SJORKVTESA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579339789 1277183436 /nfs/dbraw/zinc/18/34/36/1277183436.db2.gz MLASGUQQCCFHLY-BETUJISGSA-N 2 0 356.434 0.085 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343656 1277193170 /nfs/dbraw/zinc/19/31/70/1277193170.db2.gz AXLMUKBESBEMHM-MCIONIFRSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345079 1277196137 /nfs/dbraw/zinc/19/61/37/1277196137.db2.gz UGLJVYYAHKWNKH-BLLLJJGKSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345082 1277196245 /nfs/dbraw/zinc/19/62/45/1277196245.db2.gz UGLJVYYAHKWNKH-WBMJQRKESA-N 2 0 370.461 0.332 20 0 FCADRP CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)C1CC[NH2+]CC1)C2 ZINC001579347587 1277201569 /nfs/dbraw/zinc/20/15/69/1277201569.db2.gz HBWKOHAJNMAVCL-QGZVFWFLSA-N 2 0 353.488 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579348195 1277203130 /nfs/dbraw/zinc/20/31/30/1277203130.db2.gz WHZZSFWMKFEUJB-BHYGNILZSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353909 1277216599 /nfs/dbraw/zinc/21/65/99/1277216599.db2.gz WNGMPCBLNKKMBJ-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359786 1277232782 /nfs/dbraw/zinc/23/27/82/1277232782.db2.gz DFRMBKQVQFJKEL-JYJNAYRXSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579359502 1277233639 /nfs/dbraw/zinc/23/36/39/1277233639.db2.gz WJVWTCUAQLVKQG-OAHLLOKOSA-N 2 0 361.425 0.696 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361432 1277238108 /nfs/dbraw/zinc/23/81/08/1277238108.db2.gz KVNLVZZJJKFKGG-MGPQQGTHSA-N 2 0 370.461 0.617 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579372116 1277253757 /nfs/dbraw/zinc/25/37/57/1277253757.db2.gz JLMIZGDOSYSERQ-FRFSOERESA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001579444516 1277332219 /nfs/dbraw/zinc/33/22/19/1277332219.db2.gz QWUSPICMUVNFAQ-KDOFPFPSSA-N 2 0 357.462 0.205 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001579475684 1277382238 /nfs/dbraw/zinc/38/22/38/1277382238.db2.gz MJAWGYZSZZFMGB-GDBMZVCRSA-N 2 0 359.474 0.379 20 0 FCADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cnn1C ZINC001579529471 1277492130 /nfs/dbraw/zinc/49/21/30/1277492130.db2.gz IQYQEMSYPRYVND-CYBMUJFWSA-N 2 0 350.467 0.156 20 0 FCADRP Cn1cc(-c2nnc(N3CC[C@@H]([NH3+])C3)n2C[C@H]2CCC[N@@H+]2CCCO)cn1 ZINC001579951478 1277976534 /nfs/dbraw/zinc/97/65/34/1277976534.db2.gz NYBFGEKCDSLTKJ-HZPDHXFCSA-N 2 0 374.493 0.063 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001579950005 1277977081 /nfs/dbraw/zinc/97/70/81/1277977081.db2.gz YIJMJVVMVZBXAM-OAHLLOKOSA-N 2 0 373.461 0.518 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001714391619 1287320834 /nfs/dbraw/zinc/32/08/34/1287320834.db2.gz UOYYMQNSXKWXPR-RBSFLKMASA-N 2 0 359.536 0.493 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580272697 1278066467 /nfs/dbraw/zinc/06/64/67/1278066467.db2.gz KKSWACWNGNCCEK-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001580274510 1278066833 /nfs/dbraw/zinc/06/68/33/1278066833.db2.gz VBDQTRRQEWEMEX-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001580863975 1279061718 /nfs/dbraw/zinc/06/17/18/1279061718.db2.gz XNOZSDYEYLXFJK-SQNIBIBYSA-N 2 0 365.499 0.511 20 0 FCADRP Cc1cc(N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948841 1279155516 /nfs/dbraw/zinc/15/55/16/1279155516.db2.gz BHNHJKJNANCYIQ-CHWSQXEVSA-N 2 0 358.450 0.463 20 0 FCADRP Cc1cc(N(CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949866 1279156635 /nfs/dbraw/zinc/15/66/35/1279156635.db2.gz RBJGDYIKYPIQLL-UHFFFAOYSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580951912 1279157727 /nfs/dbraw/zinc/15/77/27/1279157727.db2.gz LHXHNJGUYHBMAK-XMQYKBBCSA-N 2 0 370.461 0.320 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954882 1279158340 /nfs/dbraw/zinc/15/83/40/1279158340.db2.gz BZEPQSZNRUEWHV-UONOGXRCSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955761 1279160725 /nfs/dbraw/zinc/16/07/25/1279160725.db2.gz BVJCIUGYFRPNAZ-CQSZACIVSA-N 2 0 370.461 0.608 20 0 FCADRP Cc1cc(N2CCC[C@H]2CNC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580966751 1279169256 /nfs/dbraw/zinc/16/92/56/1279169256.db2.gz MJGGXRKHCUSSKU-ZDUSSCGKSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977976 1279179703 /nfs/dbraw/zinc/17/97/03/1279179703.db2.gz ZMWOSYZGEXLMIR-HALDLXJZSA-N 2 0 370.461 0.463 20 0 FCADRP Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580978101 1279179851 /nfs/dbraw/zinc/17/98/51/1279179851.db2.gz HCZRGZPKGCZCET-SNPRPXQTSA-N 2 0 370.461 0.748 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991301 1279194176 /nfs/dbraw/zinc/19/41/76/1279194176.db2.gz YGYPFOORUJEXBA-STQMWFEESA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004483 1279222759 /nfs/dbraw/zinc/22/27/59/1279222759.db2.gz VKHKTWNABQEDDU-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010115 1279235781 /nfs/dbraw/zinc/23/57/81/1279235781.db2.gz FEUOQLANQAPAFB-OLZOCXBDSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009999 1279235888 /nfs/dbraw/zinc/23/58/88/1279235888.db2.gz BHIUIRFLTIZKLK-WBMJQRKESA-N 2 0 374.493 0.742 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010263 1279236225 /nfs/dbraw/zinc/23/62/25/1279236225.db2.gz IFJKMEGATLDITA-NHYWBVRUSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010408 1279236619 /nfs/dbraw/zinc/23/66/19/1279236619.db2.gz MJILLUXBBKSEJP-LRDDRELGSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013268 1279239579 /nfs/dbraw/zinc/23/95/79/1279239579.db2.gz LXIXQWUMGXFYQM-CYBMUJFWSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581019538 1279250255 /nfs/dbraw/zinc/25/02/55/1279250255.db2.gz ADPFUHUMZQCQAD-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018797 1279250291 /nfs/dbraw/zinc/25/02/91/1279250291.db2.gz BPPOUJWFHFKCCR-MOKVOYLWSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025866 1279258025 /nfs/dbraw/zinc/25/80/25/1279258025.db2.gz HNEDIDLSXOHSRQ-LBPRGKRZSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026505 1279259144 /nfs/dbraw/zinc/25/91/44/1279259144.db2.gz LVXHFGYIMBDLNL-QWHCGFSZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030051 1279265352 /nfs/dbraw/zinc/26/53/52/1279265352.db2.gz JNVLVKVZYOMPBS-DOMZBBRYSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030102 1279266722 /nfs/dbraw/zinc/26/67/22/1279266722.db2.gz LDHHXAPNDYEEML-CJNGLKHVSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030912 1279269990 /nfs/dbraw/zinc/26/99/90/1279269990.db2.gz UEJQAMHTRSIDJS-GFCCVEGCSA-N 2 0 358.450 0.393 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318343 1287352090 /nfs/dbraw/zinc/35/20/90/1287352090.db2.gz GUEWSQHYTGDXHS-UONOGXRCSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1-c1nn[nH]n1)Cn1ccnc1 ZINC001603552073 1287420958 /nfs/dbraw/zinc/42/09/58/1287420958.db2.gz PJXWDJWMOWJOOH-ZIAGYGMSSA-N 2 0 357.418 0.729 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582099310 1281056099 /nfs/dbraw/zinc/05/60/99/1281056099.db2.gz OHSMLDMMCPFTGS-OAHLLOKOSA-N 2 0 355.446 0.653 20 0 FCADRP O=C(N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001582217279 1281197750 /nfs/dbraw/zinc/19/77/50/1281197750.db2.gz QBDSEALNJZQBCM-MRXNPFEDSA-N 2 0 367.457 0.653 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001582310988 1281312217 /nfs/dbraw/zinc/31/22/17/1281312217.db2.gz RQXARSCPYZKWDQ-LBPRGKRZSA-N 2 0 373.486 0.715 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001718472519 1287505861 /nfs/dbraw/zinc/50/58/61/1287505861.db2.gz ULYAOHNWERYXRA-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[NH2+]CC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589727825 1282966015 /nfs/dbraw/zinc/96/60/15/1282966015.db2.gz NUUPGYIKKBIWLD-UHFFFAOYSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C[NH3+] ZINC001590192626 1283298264 /nfs/dbraw/zinc/29/82/64/1283298264.db2.gz VITMZUYAFKHUMV-BFJAYTPKSA-N 2 0 360.462 0.912 20 0 FCADRP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213066 1283345744 /nfs/dbraw/zinc/34/57/44/1283345744.db2.gz ARAWZHXRUAOOII-OSLDLMBLSA-N 2 0 372.473 0.777 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001682287310 1283556137 /nfs/dbraw/zinc/55/61/37/1283556137.db2.gz ZEFILOMHRPFULD-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001719069135 1287652223 /nfs/dbraw/zinc/65/22/23/1287652223.db2.gz DHICGDNCCJHWNY-ARFHVFGLSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590732522 1283765376 /nfs/dbraw/zinc/76/53/76/1283765376.db2.gz BFNGSKIUJDVQHG-MRXNPFEDSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733024 1283767836 /nfs/dbraw/zinc/76/78/36/1283767836.db2.gz KKYVRWKMHHAMIR-YIEVGGLXSA-N 2 0 370.461 0.642 20 0 FCADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001590867271 1283938696 /nfs/dbraw/zinc/93/86/96/1283938696.db2.gz AHRWYDXFLZAFFA-OAHLLOKOSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001590867380 1283939853 /nfs/dbraw/zinc/93/98/53/1283939853.db2.gz WCGOUUBKFBHCDB-GFCCVEGCSA-N 2 0 351.480 0.864 20 0 FCADRP C[NH+](C)CC1(C(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591012926 1284072396 /nfs/dbraw/zinc/07/23/96/1284072396.db2.gz FDSUTLVWOARPKY-ARJAWSKDSA-N 2 0 356.434 0.110 20 0 FCADRP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591012969 1284073316 /nfs/dbraw/zinc/07/33/16/1284073316.db2.gz MQGSENHLHZNYSL-ARJAWSKDSA-N 2 0 369.473 0.971 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O ZINC001683675345 1284083548 /nfs/dbraw/zinc/08/35/48/1284083548.db2.gz IQEWMIYQMSAMKV-SJORKVTESA-N 2 0 368.522 0.137 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174706 1284263140 /nfs/dbraw/zinc/26/31/40/1284263140.db2.gz AFEYSIVBFQDMPI-UONOGXRCSA-N 2 0 370.461 0.286 20 0 FCADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591176957 1284273719 /nfs/dbraw/zinc/27/37/19/1284273719.db2.gz OIVCOCGIJJVZNO-HNNXBMFYSA-N 2 0 360.462 0.928 20 0 FCADRP C[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[NH+](C)C1 ZINC001591184812 1284291277 /nfs/dbraw/zinc/29/12/77/1284291277.db2.gz PMHPVOWYDCNYDW-GJZGRUSLSA-N 2 0 360.462 0.880 20 0 FCADRP C[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591216557 1284351645 /nfs/dbraw/zinc/35/16/45/1284351645.db2.gz NXXNWICQUKCEBO-UHFFFAOYSA-N 2 0 358.450 0.303 20 0 FCADRP C[NH2+]C1CC(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001591216189 1284352791 /nfs/dbraw/zinc/35/27/91/1284352791.db2.gz RANOZTBXACTIKZ-UHFFFAOYSA-N 2 0 369.473 0.945 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592009852 1285059863 /nfs/dbraw/zinc/05/98/63/1285059863.db2.gz RZFOQOUWOVPNPA-ZDUSSCGKSA-N 2 0 356.434 0.361 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001702424824 1285669347 /nfs/dbraw/zinc/66/93/47/1285669347.db2.gz FNHWCKLASLRGEC-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037392 1285921789 /nfs/dbraw/zinc/92/17/89/1285921789.db2.gz DIQCOOXLQZKURD-YOEHRIQHSA-N 2 0 369.473 0.947 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707065814 1286436122 /nfs/dbraw/zinc/43/61/22/1286436122.db2.gz KCFLITFTWGOJDR-DMRKSPOLSA-N 2 0 352.523 0.972 20 0 FCADRP COCC[NH2+]CCNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001605110802 1287884932 /nfs/dbraw/zinc/88/49/32/1287884932.db2.gz RPVAFBMGPVVGJZ-UHFFFAOYSA-N 2 0 359.478 0.657 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001605431230 1287959749 /nfs/dbraw/zinc/95/97/49/1287959749.db2.gz BTCVDHMHJLKWHU-BLYZHGLHSA-N 2 0 370.461 0.331 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732816 1288065907 /nfs/dbraw/zinc/06/59/07/1288065907.db2.gz VRISCYYGSFDJOT-ZIAGYGMSSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605738021 1288068330 /nfs/dbraw/zinc/06/83/30/1288068330.db2.gz WHMTWQFYANFWOO-GFCCVEGCSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605737768 1288068687 /nfs/dbraw/zinc/06/86/87/1288068687.db2.gz QPDZNAGRZIHYQZ-CYBMUJFWSA-N 2 0 374.493 0.887 20 0 FCADRP [NH3+]CCCCNC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001606437695 1288317824 /nfs/dbraw/zinc/31/78/24/1288317824.db2.gz NIADFHQTJAFJRT-UHFFFAOYSA-N 2 0 372.477 0.869 20 0 FCADRP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001606780686 1288511952 /nfs/dbraw/zinc/51/19/52/1288511952.db2.gz JWYJIUUTKJPXPC-INIZCTEOSA-N 2 0 370.461 0.619 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001607055077 1288625772 /nfs/dbraw/zinc/62/57/72/1288625772.db2.gz UWKLTTKBNMJSHJ-VHDGCEQUSA-N 2 0 355.402 0.234 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001735885835 1288990448 /nfs/dbraw/zinc/99/04/48/1288990448.db2.gz DNRLZXKWSBYDOY-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001691913114 1289340973 /nfs/dbraw/zinc/34/09/73/1289340973.db2.gz DBDBCTZTTNTJBQ-DOTOQJQBSA-N 2 0 367.538 0.910 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001691910497 1289342009 /nfs/dbraw/zinc/34/20/09/1289342009.db2.gz OJWUCVKHHLIFJX-LSDHHAIUSA-N 2 0 364.490 0.352 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001692027675 1289370260 /nfs/dbraw/zinc/37/02/60/1289370260.db2.gz IKPFSSNHPGWWDP-BZUAXINKSA-N 2 0 354.495 0.058 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](OCC)C1 ZINC001692031405 1289372184 /nfs/dbraw/zinc/37/21/84/1289372184.db2.gz AYHGELSPVMVGEF-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001692080358 1289385571 /nfs/dbraw/zinc/38/55/71/1289385571.db2.gz BPBXRCZUUAWSLF-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001692289506 1289445307 /nfs/dbraw/zinc/44/53/07/1289445307.db2.gz SIVAUSKBJCUWPW-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001698747731 1289534379 /nfs/dbraw/zinc/53/43/79/1289534379.db2.gz HISOFHLHFOCRQO-ZMSDIMECSA-N 2 0 364.490 0.920 20 0 FCADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001698960616 1289538921 /nfs/dbraw/zinc/53/89/21/1289538921.db2.gz IGDLOMVYONSYMN-JHJVBQTASA-N 2 0 366.428 0.736 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001699102099 1289546673 /nfs/dbraw/zinc/54/66/73/1289546673.db2.gz HHVJGANSXABLHS-IACUBPJLSA-N 2 0 351.451 0.746 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3cccs3)CC2)CC[N@@H+]1C ZINC001699651154 1289559461 /nfs/dbraw/zinc/55/94/61/1289559461.db2.gz MAXZBOKUXHRMLH-UKRRQHHQSA-N 2 0 364.515 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H](O)COCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001699652335 1289559778 /nfs/dbraw/zinc/55/97/78/1289559778.db2.gz ZXYRHWRPSREEKX-FRRDWIJNSA-N 2 0 367.412 0.505 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001699650610 1289560657 /nfs/dbraw/zinc/56/06/57/1289560657.db2.gz BBUYNEMWWRELJT-HRCADAONSA-N 2 0 366.506 0.250 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001737801816 1289589153 /nfs/dbraw/zinc/58/91/53/1289589153.db2.gz IAWRHUPZPJAQGQ-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001614032853 1289734054 /nfs/dbraw/zinc/73/40/54/1289734054.db2.gz RLCGRYADLIEGPZ-GOSISDBHSA-N 2 0 350.511 0.685 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001702207751 1289870461 /nfs/dbraw/zinc/87/04/61/1289870461.db2.gz HKRYWVIQLKUMHT-IAGOWNOFSA-N 2 0 368.522 0.137 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001702323284 1290044817 /nfs/dbraw/zinc/04/48/17/1290044817.db2.gz APNVJTJNLUOSGJ-KLHDSHLOSA-N 2 0 354.495 0.010 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001753006697 1290618539 /nfs/dbraw/zinc/61/85/39/1290618539.db2.gz QGRGQIGTDKJPER-MGPQQGTHSA-N 2 0 367.519 0.931 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001756999733 1290683660 /nfs/dbraw/zinc/68/36/60/1290683660.db2.gz CEYNKVKTPYLFKY-HZPDHXFCSA-N 2 0 368.522 0.281 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]32)C1 ZINC001757248007 1290750435 /nfs/dbraw/zinc/75/04/35/1290750435.db2.gz ZHEJBFNJSDEGET-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001653845142 1291372702 /nfs/dbraw/zinc/37/27/02/1291372702.db2.gz JHVYRNLRLQLEAM-SZVBFZGTSA-N 2 0 361.486 0.441 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC001654760666 1291433469 /nfs/dbraw/zinc/43/34/69/1291433469.db2.gz CJBURQQVJBAPPA-UHFFFAOYSA-N 2 0 350.511 0.384 20 0 FCADRP COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OCC(N)=O ZINC001656733576 1291559699 /nfs/dbraw/zinc/55/96/99/1291559699.db2.gz SPJXAPPMRIRIBF-UHFFFAOYSA-N 2 0 364.490 0.675 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001661354422 1291690154 /nfs/dbraw/zinc/69/01/54/1291690154.db2.gz SSAZRENGIYJTLX-OAHLLOKOSA-N 2 0 350.511 0.291 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601275 1292310989 /nfs/dbraw/zinc/31/09/89/1292310989.db2.gz KOVDAKJQWIMVBQ-HOTGVXAUSA-N 2 0 354.495 0.650 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001689006949 1294565339 /nfs/dbraw/zinc/56/53/39/1294565339.db2.gz FVDZSQIGPMZMEX-BBWFWOEESA-N 2 0 350.507 0.824 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H](C)c1nncn1C ZINC001689071558 1294593565 /nfs/dbraw/zinc/59/35/65/1294593565.db2.gz XUHPJJIMSXUJJJ-RBSFLKMASA-N 2 0 352.483 0.281 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001689178686 1294645819 /nfs/dbraw/zinc/64/58/19/1294645819.db2.gz PCMJATWDQUTJJO-JKSUJKDBSA-N 2 0 368.522 0.402 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001689231280 1294688479 /nfs/dbraw/zinc/68/84/79/1294688479.db2.gz CXGWPBSIOGSBPW-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001689338554 1294762787 /nfs/dbraw/zinc/76/27/87/1294762787.db2.gz XVEXNCLZNJNTDE-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001690060045 1294853111 /nfs/dbraw/zinc/85/31/11/1294853111.db2.gz FYDWJLDDDVYFKH-SJLPKXTDSA-N 2 0 362.522 0.384 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001691659500 1294907241 /nfs/dbraw/zinc/90/72/41/1294907241.db2.gz LNOHVDHJLFDPTG-RRFJBIMHSA-N 2 0 352.479 0.350 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001691844072 1294939171 /nfs/dbraw/zinc/93/91/71/1294939171.db2.gz GOFYMQJKFBJMOJ-GBESFXJTSA-N 2 0 363.502 0.918 20 0 FCADRP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739091 720632886 /nfs/dbraw/zinc/63/28/86/720632886.db2.gz DYHDSTZJTBWROL-HOTGVXAUSA-N 2 0 352.442 0.859 20 0 FCADRP c1ncc(O[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164742298 720641862 /nfs/dbraw/zinc/64/18/62/720641862.db2.gz MOVQJLKBECFHLX-HUUCEWRRSA-N 2 0 353.430 0.254 20 0 FCADRP c1ncc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164746233 720650062 /nfs/dbraw/zinc/65/00/62/720650062.db2.gz WJQHGRDUMBRSQH-KBPBESRZSA-N 2 0 353.430 0.254 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@H]2C1 ZINC001164856644 720892966 /nfs/dbraw/zinc/89/29/66/720892966.db2.gz GDSNEAGJKANCFA-DOTOQJQBSA-N 2 0 361.490 0.645 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164771671 721089802 /nfs/dbraw/zinc/08/98/02/721089802.db2.gz STZVEZRWLSHRNI-DOTOQJQBSA-N 2 0 353.474 0.814 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164771673 721090743 /nfs/dbraw/zinc/09/07/43/721090743.db2.gz STZVEZRWLSHRNI-NVXWUHKLSA-N 2 0 353.474 0.814 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883616 721400042 /nfs/dbraw/zinc/40/00/42/721400042.db2.gz BGAJPIIEHGNGMQ-IEBWSBKVSA-N 2 0 360.506 0.701 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc4c(nn2)CC[NH2+]C4)CC3)CC1 ZINC001164799225 721516762 /nfs/dbraw/zinc/51/67/62/721516762.db2.gz ZJYVFOCLCKLDKG-UHFFFAOYSA-N 2 0 368.489 0.086 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001165011021 721741332 /nfs/dbraw/zinc/74/13/32/721741332.db2.gz SJFLLTHKUDIYJQ-UHFFFAOYSA-N 2 0 358.490 0.645 20 0 FCADRP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164965224 722067742 /nfs/dbraw/zinc/06/77/42/722067742.db2.gz GIHSBYPLOIKCJD-CALCHBBNSA-N 2 0 358.490 0.528 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070367451 837649962 /nfs/dbraw/zinc/64/99/62/837649962.db2.gz VSXQUIGDJYKNOS-RYRKJORJSA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070373099 837650451 /nfs/dbraw/zinc/65/04/51/837650451.db2.gz ZELSCBZPSTWVRK-NUJGCVRESA-N 2 0 350.507 0.966 20 0 FCADRP Cn1cncc1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071101748 837733660 /nfs/dbraw/zinc/73/36/60/837733660.db2.gz ZDUUNKKMRWRGFX-AEFFLSMTSA-N 2 0 350.463 0.331 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001099327533 844025940 /nfs/dbraw/zinc/02/59/40/844025940.db2.gz BKUZTJTURBDIKY-MRVWCRGKSA-N 2 0 367.412 0.457 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001100343371 844051562 /nfs/dbraw/zinc/05/15/62/844051562.db2.gz CRVXAYQURICXTR-IKWCTNDRSA-N 2 0 364.412 0.490 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001100343615 844051612 /nfs/dbraw/zinc/05/16/12/844051612.db2.gz KYCNLSXKYCIYOI-LHUBUQBQSA-N 2 0 350.507 0.727 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243700 844117367 /nfs/dbraw/zinc/11/73/67/844117367.db2.gz ZORCEKQBPHYYIO-OLMMMNRUSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382760900 836050995 /nfs/dbraw/zinc/05/09/95/836050995.db2.gz WYRAADODAAPUNQ-MRXNPFEDSA-N 2 0 352.504 0.733 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101271281 844127605 /nfs/dbraw/zinc/12/76/05/844127605.db2.gz LLYKZQJBTQMDSH-AOIWGVFYSA-N 2 0 353.507 0.650 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353275 844156474 /nfs/dbraw/zinc/15/64/74/844156474.db2.gz ZGLXNAVSOKLDNI-MDZRGWNJSA-N 2 0 352.523 0.879 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363491 844159674 /nfs/dbraw/zinc/15/96/74/844159674.db2.gz WEGYHNJNPZVEJE-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)C1=O ZINC001101400307 844174599 /nfs/dbraw/zinc/17/45/99/844174599.db2.gz QHJFWTVMRNXWIU-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400314 844175427 /nfs/dbraw/zinc/17/54/27/844175427.db2.gz QKYSQPMPJPWGHD-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP Cc1nocc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431471 844184140 /nfs/dbraw/zinc/18/41/40/844184140.db2.gz PNJRZNDTFUTUQI-AEFFLSMTSA-N 2 0 350.463 0.842 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461443 844193373 /nfs/dbraw/zinc/19/33/73/844193373.db2.gz BPNQYNXNRLPXJA-APWZRJJASA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621312 836701815 /nfs/dbraw/zinc/70/18/15/836701815.db2.gz SMAKQDLRWNURSO-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999358 838204991 /nfs/dbraw/zinc/20/49/91/838204991.db2.gz OLQFAXGKALUCEH-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077571241 839047519 /nfs/dbraw/zinc/04/75/19/839047519.db2.gz JMQBMCKGYSFQCF-ARLBYUKCSA-N 2 0 366.531 0.886 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045017 844394916 /nfs/dbraw/zinc/39/49/16/844394916.db2.gz NWZKLASYWNBWBU-RBSFLKMASA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C)[NH+](C)C ZINC001102070509 844403215 /nfs/dbraw/zinc/40/32/15/844403215.db2.gz KMPFPTGRXQWCKY-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079144 844406241 /nfs/dbraw/zinc/40/62/41/844406241.db2.gz XTWLOVZZMRMCSU-BRWVUGGUSA-N 2 0 353.507 0.554 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102088505 844409089 /nfs/dbraw/zinc/40/90/89/844409089.db2.gz YOYBJJKTRQOVFH-RBSFLKMASA-N 2 0 352.479 0.160 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978805 839266262 /nfs/dbraw/zinc/26/62/62/839266262.db2.gz OZIPQXZNBOUONV-KBAYOESNSA-N 2 0 351.491 0.306 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001078017957 839295443 /nfs/dbraw/zinc/29/54/43/839295443.db2.gz GWVBDWRFGHYPQK-UKRRQHHQSA-N 2 0 354.401 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176068 839381500 /nfs/dbraw/zinc/38/15/00/839381500.db2.gz ZNUHAMAKRLWKSK-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@@H](C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079260956 839502139 /nfs/dbraw/zinc/50/21/39/839502139.db2.gz XTEZZIGLMZGTPX-YESZJQIVSA-N 2 0 353.507 0.648 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312887 844465334 /nfs/dbraw/zinc/46/53/34/844465334.db2.gz SRSPNQVEPKXPRX-NVXWUHKLSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320568 844466462 /nfs/dbraw/zinc/46/64/62/844466462.db2.gz IUMRSRARBDOPAJ-MCIONIFRSA-N 2 0 369.428 0.562 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783518 839798871 /nfs/dbraw/zinc/79/88/71/839798871.db2.gz UWMKUCRAAGQYNK-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080780920 839799628 /nfs/dbraw/zinc/79/96/28/839799628.db2.gz HFNWGVACOFLUDL-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375520 844479988 /nfs/dbraw/zinc/47/99/88/844479988.db2.gz OBHXZFIXQSZYRG-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C)[NH+](C)C ZINC001102380247 844480169 /nfs/dbraw/zinc/48/01/69/844480169.db2.gz ATUNWLXEPVVLMS-OAGGEKHMSA-N 2 0 355.527 0.718 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893991 840089605 /nfs/dbraw/zinc/08/96/05/840089605.db2.gz HUDQXUJAMHDETJ-IAGOWNOFSA-N 2 0 351.491 0.857 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137895 840206134 /nfs/dbraw/zinc/20/61/34/840206134.db2.gz GAQGGOMGPCIBQS-GVDBMIGSSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479732 844518861 /nfs/dbraw/zinc/51/88/61/844518861.db2.gz DXZNFZXBFRBHHC-ZACQAIPSSA-N 2 0 350.507 0.633 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328345 840312588 /nfs/dbraw/zinc/31/25/88/840312588.db2.gz PAVIFADQTVADIL-GVDBMIGSSA-N 2 0 351.491 0.857 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102497216 844530377 /nfs/dbraw/zinc/53/03/77/844530377.db2.gz HHSIFLPAMYFJOB-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511111 844542106 /nfs/dbraw/zinc/54/21/06/844542106.db2.gz JTCKLISMBCXNHC-HUUCEWRRSA-N 2 0 352.483 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082617281 840495303 /nfs/dbraw/zinc/49/53/03/840495303.db2.gz IDAKEHSDHPIBDI-OWCLPIDISA-N 2 0 369.531 0.486 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515087 844546430 /nfs/dbraw/zinc/54/64/30/844546430.db2.gz CJDQPFSFGKEDIW-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514212 844546449 /nfs/dbraw/zinc/54/64/49/844546449.db2.gz QMRSOEAAEDVKJR-OAGGEKHMSA-N 2 0 350.507 0.810 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514396 844546535 /nfs/dbraw/zinc/54/65/35/844546535.db2.gz WBCWPSZCZYTKCS-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001082742413 840542870 /nfs/dbraw/zinc/54/28/70/840542870.db2.gz DUDFCJMQIMDUKZ-BFYDXBDKSA-N 2 0 371.547 0.590 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742661 840543441 /nfs/dbraw/zinc/54/34/41/840543441.db2.gz NZUBRVLAYZMSGH-IIAWOOMASA-N 2 0 366.531 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102525025 844553757 /nfs/dbraw/zinc/55/37/57/844553757.db2.gz IMLGMFGCOKEGAN-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C)C(N)=O ZINC001082851992 840584210 /nfs/dbraw/zinc/58/42/10/840584210.db2.gz NVEYUVYTYHOVOQ-KBRIMQKVSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082921702 840603202 /nfs/dbraw/zinc/60/32/02/840603202.db2.gz AKKYAMMVKBSGOT-GDBMZVCRSA-N 2 0 357.520 0.344 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082921943 840603674 /nfs/dbraw/zinc/60/36/74/840603674.db2.gz YFNIIDIPAJVOGE-BZUAXINKSA-N 2 0 357.520 0.344 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCOCC2)C1 ZINC001082923534 840604842 /nfs/dbraw/zinc/60/48/42/840604842.db2.gz NYFWUACFXIIUTG-JFIYKMOQSA-N 2 0 353.507 0.818 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577870 844571531 /nfs/dbraw/zinc/57/15/31/844571531.db2.gz AWTZXFGPZUNZHS-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579738 844574630 /nfs/dbraw/zinc/57/46/30/844574630.db2.gz MWFUWRYDSJHBBA-BZUAXINKSA-N 2 0 357.520 0.201 20 0 FCADRP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579514 844574933 /nfs/dbraw/zinc/57/49/33/844574933.db2.gz BELPVQBXSZTEPS-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](CC4CCC4)C[C@@H]32)CC1 ZINC001083236342 840821445 /nfs/dbraw/zinc/82/14/45/840821445.db2.gz WYMVJAXGNUDQKX-ZWKOTPCHSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596474 844586906 /nfs/dbraw/zinc/58/69/06/844586906.db2.gz HQWPEESEURWDFH-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600544 844591638 /nfs/dbraw/zinc/59/16/38/844591638.db2.gz JRFPFYOPNCMGLB-OWCLPIDISA-N 2 0 359.536 0.445 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083523348 841121464 /nfs/dbraw/zinc/12/14/64/841121464.db2.gz ZPRXWSIMNPIUAZ-SQNIBIBYSA-N 2 0 351.491 0.591 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563429 841173379 /nfs/dbraw/zinc/17/33/79/841173379.db2.gz PIOFKTXBYWQMPH-ZACQAIPSSA-N 2 0 351.491 0.593 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083695968 841324848 /nfs/dbraw/zinc/32/48/48/841324848.db2.gz BZXURERKFUKIQI-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749871 841393481 /nfs/dbraw/zinc/39/34/81/841393481.db2.gz VFIHCYANLORGQP-CABCVRRESA-N 2 0 352.504 0.497 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778632 841423733 /nfs/dbraw/zinc/42/37/33/841423733.db2.gz SJCZNMMUZBEJQS-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083833318 841478838 /nfs/dbraw/zinc/47/88/38/841478838.db2.gz UVDRMRFIUGIOHG-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954313 841600903 /nfs/dbraw/zinc/60/09/03/841600903.db2.gz UJBIGFYYBCINGF-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP CO[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450711 841797638 /nfs/dbraw/zinc/79/76/38/841797638.db2.gz VDFDGVDMXRYXFW-GVDBMIGSSA-N 2 0 353.507 0.912 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN([C@@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877984 861241611 /nfs/dbraw/zinc/24/16/11/861241611.db2.gz GEMDJTVFZLFJKE-KXBFYZLASA-N 2 0 351.491 0.999 20 0 FCADRP CC[NH+]1CCC(CN2C[C@@]3(F)C(=O)N(CC[NH+](C)C)C[C@@]3(F)C2)CC1 ZINC001275877613 861241657 /nfs/dbraw/zinc/24/16/57/861241657.db2.gz DRBCYGKEJHTNGO-ZWKOTPCHSA-N 2 0 358.477 0.854 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001085374559 842089497 /nfs/dbraw/zinc/08/94/97/842089497.db2.gz WZGNXFAUKQRMSM-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001085388921 842090568 /nfs/dbraw/zinc/09/05/68/842090568.db2.gz JPXDWCVCPADODP-KBRIMQKVSA-N 2 0 350.507 0.999 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001086090871 842119393 /nfs/dbraw/zinc/11/93/93/842119393.db2.gz VMGCMLBTMOWPMA-WCXIOVBPSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090054 842119554 /nfs/dbraw/zinc/11/95/54/842119554.db2.gz FBJRHIKECXHBOL-OVYGPGRDSA-N 2 0 371.547 0.636 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001086090834 842119638 /nfs/dbraw/zinc/11/96/38/842119638.db2.gz TWFCFYIHJFVNDK-NQNKBUKLSA-N 2 0 350.507 0.820 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001086371145 842128675 /nfs/dbraw/zinc/12/86/75/842128675.db2.gz SAUTUFBXTCIJIP-KBUPBQIOSA-N 2 0 352.458 0.572 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086370899 842128787 /nfs/dbraw/zinc/12/87/87/842128787.db2.gz FBJRHIKECXHBOL-ZHCJQAHYSA-N 2 0 371.547 0.636 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001086659307 842143826 /nfs/dbraw/zinc/14/38/26/842143826.db2.gz RKMQSMMCAMRCBH-ZNMIVQPWSA-N 2 0 352.458 0.716 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001086659143 842143908 /nfs/dbraw/zinc/14/39/08/842143908.db2.gz LQKUCSFIYKWORS-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001086786102 842173097 /nfs/dbraw/zinc/17/30/97/842173097.db2.gz JQJKTMSRCTWPGG-LUKYLMHMSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001086854022 842183257 /nfs/dbraw/zinc/18/32/57/842183257.db2.gz DTUOBFODMPHMPF-HRCADAONSA-N 2 0 369.531 0.391 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC001086925318 842193259 /nfs/dbraw/zinc/19/32/59/842193259.db2.gz SSBXXZFADITKJL-OWCLPIDISA-N 2 0 350.507 0.905 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087034989 842233057 /nfs/dbraw/zinc/23/30/57/842233057.db2.gz GOXUIIKSDXAXAC-VHDGCEQUSA-N 2 0 353.492 0.585 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087059688 842255305 /nfs/dbraw/zinc/25/53/05/842255305.db2.gz QANPKFIIYNIIGJ-FVQBIDKESA-N 2 0 367.519 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087062580 842260046 /nfs/dbraw/zinc/26/00/46/842260046.db2.gz MQKQOGCFVVNGHZ-RBSFLKMASA-N 2 0 352.483 0.108 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001087246035 842323701 /nfs/dbraw/zinc/32/37/01/842323701.db2.gz WCJYLGSVXTXFIY-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087523369 842345386 /nfs/dbraw/zinc/34/53/86/842345386.db2.gz TZPCWMIPXHEAAG-ZNMIVQPWSA-N 2 0 350.463 0.199 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087797120 842434208 /nfs/dbraw/zinc/43/42/08/842434208.db2.gz YWKSGZKZUUMRIR-HRCADAONSA-N 2 0 351.495 0.323 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088201283 842557994 /nfs/dbraw/zinc/55/79/94/842557994.db2.gz UQHBOMVGHQYHAH-BBWFWOEESA-N 2 0 369.531 0.297 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211706 842562295 /nfs/dbraw/zinc/56/22/95/842562295.db2.gz VZXPONULYXYIRH-BBWFWOEESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088981234 842734274 /nfs/dbraw/zinc/73/42/74/842734274.db2.gz JLUVEWGBUXJQRY-KFWWJZLASA-N 2 0 350.463 0.056 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001089060760 842763653 /nfs/dbraw/zinc/76/36/53/842763653.db2.gz FLINFAOONMVICC-PMPSAXMXSA-N 2 0 351.495 0.465 20 0 FCADRP CSc1ncc(CN2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276205695 861353190 /nfs/dbraw/zinc/35/31/90/861353190.db2.gz ZHUSZLCFQXFOQI-KRWDZBQOSA-N 2 0 365.503 0.563 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130980 843165136 /nfs/dbraw/zinc/16/51/36/843165136.db2.gz LJRYJADXSINDRS-FCEWJHQRSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092157809 843166047 /nfs/dbraw/zinc/16/60/47/843166047.db2.gz QCZRALOGZCLXCQ-OGWOLHLISA-N 2 0 350.507 0.761 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001092618361 843253019 /nfs/dbraw/zinc/25/30/19/843253019.db2.gz LXWPQCISKKEGIA-TXCZRRACSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001092676154 843275360 /nfs/dbraw/zinc/27/53/60/843275360.db2.gz SMQGXOKABXQKMC-NUJGCVRESA-N 2 0 353.507 0.696 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309633 861405713 /nfs/dbraw/zinc/40/57/13/861405713.db2.gz YYNILLVZKFQRHG-MJGOQNOKSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CCC(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276326083 861417923 /nfs/dbraw/zinc/41/79/23/861417923.db2.gz KEOCITJZMOGXLL-DNVCBOLYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093672672 843453489 /nfs/dbraw/zinc/45/34/89/843453489.db2.gz ADMYDWHYVWABHV-MGPQQGTHSA-N 2 0 350.467 0.414 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093770486 843467080 /nfs/dbraw/zinc/46/70/80/843467080.db2.gz SEOICAKWPQAKMF-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094131137 843519581 /nfs/dbraw/zinc/51/95/81/843519581.db2.gz POXFHWDENSKEAG-ZACQAIPSSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001094137844 843521910 /nfs/dbraw/zinc/52/19/10/843521910.db2.gz ZDGCDTOMMXIMKC-HUUCEWRRSA-N 2 0 350.463 0.970 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001094220892 843532487 /nfs/dbraw/zinc/53/24/87/843532487.db2.gz BWYKGSOETONNHF-ZIAGYGMSSA-N 2 0 351.451 0.496 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC(C)C)C3)C2)CC[N@@H+]1C ZINC001094740258 843697348 /nfs/dbraw/zinc/69/73/48/843697348.db2.gz NAXGQSXJCSRPKG-HYVNUMGLSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC001098603512 843927514 /nfs/dbraw/zinc/92/75/14/843927514.db2.gz PJVHGUJKZIFQDM-BRWVUGGUSA-N 2 0 353.507 0.791 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCOCCO)CC[N@@H+]1C ZINC001099080174 843960737 /nfs/dbraw/zinc/96/07/37/843960737.db2.gz NJXBWJQKRDLESF-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262270 843995543 /nfs/dbraw/zinc/99/55/43/843995543.db2.gz GEKMELTZIUXWBP-JHJVBQTASA-N 2 0 364.412 0.714 20 0 FCADRP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001103000225 844682326 /nfs/dbraw/zinc/68/23/26/844682326.db2.gz YIFVLVCGILGAQP-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001103005127 844683664 /nfs/dbraw/zinc/68/36/64/844683664.db2.gz RPGFUTZDFGWSGI-WCXIOVBPSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085181 844697480 /nfs/dbraw/zinc/69/74/80/844697480.db2.gz JRJJBDWFFIFLLA-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103397 844701796 /nfs/dbraw/zinc/70/17/96/844701796.db2.gz HCJDOFMLLGCBRM-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398048 844750724 /nfs/dbraw/zinc/75/07/24/844750724.db2.gz ADHOBGLTBKLQDG-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436117 844756729 /nfs/dbraw/zinc/75/67/29/844756729.db2.gz LFOMPKCRCWNMRM-GVDBMIGSSA-N 2 0 350.507 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436381 844757490 /nfs/dbraw/zinc/75/74/90/844757490.db2.gz VWPZVEWTUKWMLK-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438472 844758576 /nfs/dbraw/zinc/75/85/76/844758576.db2.gz KWLHZKYUBFVKLS-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438612 844758855 /nfs/dbraw/zinc/75/88/55/844758855.db2.gz SLSUEDXSBFHMEV-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647197 844795135 /nfs/dbraw/zinc/79/51/35/844795135.db2.gz ZDVKIEAQQDWGTE-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001103723471 844807520 /nfs/dbraw/zinc/80/75/20/844807520.db2.gz LECIPVMSJQQCPN-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001103999824 844851796 /nfs/dbraw/zinc/85/17/96/844851796.db2.gz LVZGRKYEVALCRD-OAGGEKHMSA-N 2 0 351.495 0.180 20 0 FCADRP CCOCCN1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629905 861505498 /nfs/dbraw/zinc/50/54/98/861505498.db2.gz COXBKHMRIFDXER-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629929 861505613 /nfs/dbraw/zinc/50/56/13/861505613.db2.gz FJFRDGYZHYONBP-LPHOPBHVSA-N 2 0 350.507 0.668 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630430 861507015 /nfs/dbraw/zinc/50/70/15/861507015.db2.gz WMOZVABJVQCTFM-IBGZPJMESA-N 3 0 351.539 0.110 20 0 FCADRP CC[C@@H](C)N1C[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630414 861507557 /nfs/dbraw/zinc/50/75/57/861507557.db2.gz TYPCVGFWDWPXLT-MJGOQNOKSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104294380 844891505 /nfs/dbraw/zinc/89/15/05/844891505.db2.gz MNPCFZOXEJWVIV-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385138 844905386 /nfs/dbraw/zinc/90/53/86/844905386.db2.gz DFNKFCBLECFZJV-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104482434 844916530 /nfs/dbraw/zinc/91/65/30/844916530.db2.gz PYDQIDPPYOMIAR-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001104623675 844928039 /nfs/dbraw/zinc/92/80/39/844928039.db2.gz FNJCWOFNXCCBGZ-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104676349 844931507 /nfs/dbraw/zinc/93/15/07/844931507.db2.gz GJENVWUENHRWPI-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1)[NH+](C)C ZINC001104690465 844933647 /nfs/dbraw/zinc/93/36/47/844933647.db2.gz FIDOFJZAWFDURM-OIISXLGYSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1)[NH+](C)C ZINC001104691245 844933927 /nfs/dbraw/zinc/93/39/27/844933927.db2.gz MCOZRHHMUIFABQ-OIISXLGYSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908520 844958566 /nfs/dbraw/zinc/95/85/66/844958566.db2.gz ZXJUFTDZJGRRSN-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010280 844968872 /nfs/dbraw/zinc/96/88/72/844968872.db2.gz FWCRRDLUSXVIGC-ZACQAIPSSA-N 2 0 352.523 0.785 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001105067398 844977377 /nfs/dbraw/zinc/97/73/77/844977377.db2.gz YXSWWMNJJBWZCF-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001105064188 844977398 /nfs/dbraw/zinc/97/73/98/844977398.db2.gz BLSNHTGXLKWNHB-ZIAGYGMSSA-N 2 0 352.483 0.023 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105661874 845012767 /nfs/dbraw/zinc/01/27/67/845012767.db2.gz LMDOJOWKUNZSJB-FPAYPSAMSA-N 2 0 355.523 0.677 20 0 FCADRP CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666661 845013471 /nfs/dbraw/zinc/01/34/71/845013471.db2.gz HRKKGPRNWYDFJF-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105945405 845065176 /nfs/dbraw/zinc/06/51/76/845065176.db2.gz WRRYTFMWTVUHKJ-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145763 845114173 /nfs/dbraw/zinc/11/41/73/845114173.db2.gz GDHAUPUKSXPOGN-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149416 845115369 /nfs/dbraw/zinc/11/53/69/845115369.db2.gz JRLWHHGVASPGIP-QBPKDAKJSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106149988 845115463 /nfs/dbraw/zinc/11/54/63/845115463.db2.gz YBKWZMUEQMTCKX-KLHDSHLOSA-N 2 0 359.536 0.445 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249463 845143220 /nfs/dbraw/zinc/14/32/20/845143220.db2.gz IJYOLCRZBGSBQU-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106281834 845147054 /nfs/dbraw/zinc/14/70/54/845147054.db2.gz GNHKDJCCTGZEAN-OAGGEKHMSA-N 2 0 361.552 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106321830 845153712 /nfs/dbraw/zinc/15/37/12/845153712.db2.gz FQXTWTAMDABHSI-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106322107 845154272 /nfs/dbraw/zinc/15/42/72/845154272.db2.gz JTVJKBZCQBAIGE-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581764 845200707 /nfs/dbraw/zinc/20/07/07/845200707.db2.gz NSODRGXFSWRRQR-LTIDMASMSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106594436 845202887 /nfs/dbraw/zinc/20/28/87/845202887.db2.gz SCJYJHRHHBZLGW-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106594509 845202929 /nfs/dbraw/zinc/20/29/29/845202929.db2.gz SVOKKZOQUVXDGR-GDBMZVCRSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106593368 845202995 /nfs/dbraw/zinc/20/29/95/845202995.db2.gz DMJZJFFHTUMJLE-HZPDHXFCSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106622561 845207426 /nfs/dbraw/zinc/20/74/26/845207426.db2.gz FHJXLOBTNNGPHD-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106633346 845209737 /nfs/dbraw/zinc/20/97/37/845209737.db2.gz GNHKDJCCTGZEAN-BZUAXINKSA-N 2 0 361.552 0.691 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106664873 845218527 /nfs/dbraw/zinc/21/85/27/845218527.db2.gz BLLKFJCTNLFDPJ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666477 845220474 /nfs/dbraw/zinc/22/04/74/845220474.db2.gz LZLHAJZAHAIGSP-LBTNJELSSA-N 2 0 356.486 0.629 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001106672133 845221189 /nfs/dbraw/zinc/22/11/89/845221189.db2.gz GEUKWUAEVGSEHD-HUUCEWRRSA-N 2 0 350.511 0.977 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)CS(C)(=O)=O ZINC001106884327 845278345 /nfs/dbraw/zinc/27/83/45/845278345.db2.gz DKOWXNXAECDEEN-ARFHVFGLSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106983619 845299894 /nfs/dbraw/zinc/29/98/94/845299894.db2.gz AATHCBDTCUHJDG-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106983689 845299958 /nfs/dbraw/zinc/29/99/58/845299958.db2.gz FBJWMCHAZBYPOX-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106981437 845300074 /nfs/dbraw/zinc/30/00/74/845300074.db2.gz NYGZOJMQPXMGEE-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106983706 845300402 /nfs/dbraw/zinc/30/04/02/845300402.db2.gz FSCSGUWSQZFINS-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983813 845301181 /nfs/dbraw/zinc/30/11/81/845301181.db2.gz KUMHYNNPODBRCU-HZPDHXFCSA-N 2 0 359.536 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001107028122 845312216 /nfs/dbraw/zinc/31/22/16/845312216.db2.gz QKAUGDVNQFJJPD-HZPDHXFCSA-N 2 0 359.536 0.591 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001107037429 845317223 /nfs/dbraw/zinc/31/72/23/845317223.db2.gz GIYDBABCARBFOF-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP COC[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727745 861557314 /nfs/dbraw/zinc/55/73/14/861557314.db2.gz SJUJMTOTSHOZAK-YOEHRIQHSA-N 2 0 350.419 0.033 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546422 845395264 /nfs/dbraw/zinc/39/52/64/845395264.db2.gz CATHYSUHKHTHNS-FRQCXROJSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](COCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[NH+]1CCCC1 ZINC001107552661 845396208 /nfs/dbraw/zinc/39/62/08/845396208.db2.gz QLGZOJZHJKKOOV-YQVWRLOYSA-N 2 0 353.507 0.840 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546423 845396618 /nfs/dbraw/zinc/39/66/18/845396618.db2.gz CATHYSUHKHTHNS-GPMSIDNRSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289738 845616459 /nfs/dbraw/zinc/61/64/59/845616459.db2.gz NHDWUHXTNDHIBR-NCOADZHNSA-N 2 0 353.507 0.980 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289740 845617413 /nfs/dbraw/zinc/61/74/13/845617413.db2.gz NHDWUHXTNDHIBR-QZWWFDLISA-N 2 0 353.507 0.980 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110007221 845774391 /nfs/dbraw/zinc/77/43/91/845774391.db2.gz NENDGQCATHRFLZ-PMPSAXMXSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794658 861611232 /nfs/dbraw/zinc/61/12/32/861611232.db2.gz PRIRAFDRWAEUIK-HZPDHXFCSA-N 2 0 354.539 0.515 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110754644 845967444 /nfs/dbraw/zinc/96/74/44/845967444.db2.gz VPWZAWPTKUIXDL-ZJPYXAASSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001110981094 846007558 /nfs/dbraw/zinc/00/75/58/846007558.db2.gz IZVHKMNZHKYWND-RQJABVFESA-N 2 0 367.412 0.599 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111171916 846053886 /nfs/dbraw/zinc/05/38/86/846053886.db2.gz ZWCZRHOERBPOTJ-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217288 846065001 /nfs/dbraw/zinc/06/50/01/846065001.db2.gz PSEULOQOTFHLQP-XDNAFOTISA-N 2 0 353.507 0.836 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782670 846203517 /nfs/dbraw/zinc/20/35/17/846203517.db2.gz SQWHGEIOKXJKRZ-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001111864472 846236102 /nfs/dbraw/zinc/23/61/02/846236102.db2.gz RPEPRWOMGYMCSZ-VYDXJSESSA-N 2 0 359.536 0.590 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111907721 846256092 /nfs/dbraw/zinc/25/60/92/846256092.db2.gz IUOMIIPIZDMDIV-VCBZYWHSSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111910188 846257580 /nfs/dbraw/zinc/25/75/80/846257580.db2.gz SBCWWMZNYKCDEZ-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938228 846268099 /nfs/dbraw/zinc/26/80/99/846268099.db2.gz RJSNBZBPRFPCPL-YJBOKZPZSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC1CC1)C2 ZINC001111951162 846275096 /nfs/dbraw/zinc/27/50/96/846275096.db2.gz VSPZQHWGAWLSJF-KXBFYZLASA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004228 846290780 /nfs/dbraw/zinc/29/07/80/846290780.db2.gz QJHQNIGFAYAKCF-SCTDSRPQSA-N 2 0 353.507 0.840 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001112120382 846399116 /nfs/dbraw/zinc/39/91/16/846399116.db2.gz QKWDNPIKBASLFY-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159888 846426102 /nfs/dbraw/zinc/42/61/02/846426102.db2.gz GGKFOCQYVMJQKJ-AAVRWANBSA-N 2 0 369.428 0.559 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285031 846487543 /nfs/dbraw/zinc/48/75/43/846487543.db2.gz JGOSHVJPYHELMP-SCTDSRPQSA-N 2 0 353.507 0.962 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276913472 861683623 /nfs/dbraw/zinc/68/36/23/861683623.db2.gz CSSOZMNZKYMUDO-SFHVURJKSA-N 2 0 352.479 0.258 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001112399345 846500994 /nfs/dbraw/zinc/50/09/94/846500994.db2.gz PAPTZERGUVGIRE-BQFCYCMXSA-N 2 0 371.547 0.590 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001112399346 846501300 /nfs/dbraw/zinc/50/13/00/846501300.db2.gz PAPTZERGUVGIRE-JZXOWHBKSA-N 2 0 371.547 0.590 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396857 846501353 /nfs/dbraw/zinc/50/13/53/846501353.db2.gz HLBLTLQKGFUHHJ-YJBOKZPZSA-N 2 0 350.507 0.825 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112431647 846503932 /nfs/dbraw/zinc/50/39/32/846503932.db2.gz NGHVHIXTNUTULU-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001112524523 846514217 /nfs/dbraw/zinc/51/42/17/846514217.db2.gz SVOXBDNUCIVQRG-WDYCEAGBSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112529710 846516558 /nfs/dbraw/zinc/51/65/58/846516558.db2.gz LQVMFDHYUWPILG-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001112531759 846516877 /nfs/dbraw/zinc/51/68/77/846516877.db2.gz PCNRFJRCDMBWQQ-LNLFQRSKSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@H](O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563713 846525203 /nfs/dbraw/zinc/52/52/03/846525203.db2.gz KDHUWFLDOHAPPS-LNLFQRSKSA-N 2 0 355.523 0.944 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563520 846525291 /nfs/dbraw/zinc/52/52/91/846525291.db2.gz ZGJXRTMSTGICEW-GJYPPUQNSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112565864 846525477 /nfs/dbraw/zinc/52/54/77/846525477.db2.gz WQQKGCKXGCCBGJ-HKUYNNGSSA-N 2 0 355.523 0.946 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112567525 846526153 /nfs/dbraw/zinc/52/61/53/846526153.db2.gz UXBULVLRDQORFI-HKUYNNGSSA-N 2 0 355.523 0.946 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578469 846528817 /nfs/dbraw/zinc/52/88/17/846528817.db2.gz PZIXNUWDTBTYIJ-BXWFABGCSA-N 2 0 350.507 0.635 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578171 846529400 /nfs/dbraw/zinc/52/94/00/846529400.db2.gz BISLYDJHNMTWGZ-AOIWGVFYSA-N 2 0 353.507 0.819 20 0 FCADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CCCCNC1=O)[C@H]1CCCCNC1=O ZINC001116414606 846677015 /nfs/dbraw/zinc/67/70/15/846677015.db2.gz QMHDQBNNLDUKDA-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714337 846744203 /nfs/dbraw/zinc/74/42/03/846744203.db2.gz DFQVOZWNOAMQIV-ZIAGYGMSSA-N 2 0 350.467 0.182 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118121213 847289785 /nfs/dbraw/zinc/28/97/85/847289785.db2.gz BVMVHJOMBMCYBK-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001118197563 847320668 /nfs/dbraw/zinc/32/06/68/847320668.db2.gz OMZBTFMBXMAYGA-AWEZNQCLSA-N 2 0 360.449 0.810 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118335205 847386871 /nfs/dbraw/zinc/38/68/71/847386871.db2.gz XSNGQECJXCSVRC-LPHOPBHVSA-N 2 0 350.507 0.908 20 0 FCADRP CS(=O)(=O)N1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001118565313 847480696 /nfs/dbraw/zinc/48/06/96/847480696.db2.gz KOTNHFCWIQUXOQ-UHFFFAOYSA-N 2 0 359.536 0.891 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001120642580 848260066 /nfs/dbraw/zinc/26/00/66/848260066.db2.gz SAPLLMOHMWRJKR-DLBZAZTESA-N 2 0 353.511 0.163 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001120670770 848267208 /nfs/dbraw/zinc/26/72/08/848267208.db2.gz MLLVMKOPUYOINT-CVEARBPZSA-N 2 0 351.495 0.372 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCOCCO)C3)CC[N@@H+]1C ZINC001121133877 848321557 /nfs/dbraw/zinc/32/15/57/848321557.db2.gz JOILWVDDIKBVKZ-HGWOHTHGSA-N 2 0 353.507 0.743 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001121828573 848399799 /nfs/dbraw/zinc/39/97/99/848399799.db2.gz BGKVSUVEGCDTHZ-HNNXBMFYSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@H](CCNC(=O)c1cc(Br)cn(CC[NH3+])c1=O)[NH+](C)C ZINC001122063646 848442874 /nfs/dbraw/zinc/44/28/74/848442874.db2.gz XXBWYBIHYVZNHO-SNVBAGLBSA-N 2 0 359.268 0.640 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)C2)C1 ZINC001122126730 848451502 /nfs/dbraw/zinc/45/15/02/848451502.db2.gz PQIVDKIGTLZSPV-FMKPAKJESA-N 2 0 350.463 0.630 20 0 FCADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccs1 ZINC001127643602 848730757 /nfs/dbraw/zinc/73/07/57/848730757.db2.gz CLKJGRUABOPOOZ-BFHYXJOUSA-N 2 0 352.504 0.971 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C ZINC001127695750 848732979 /nfs/dbraw/zinc/73/29/79/848732979.db2.gz WTVSEOCUWLEGQF-JKSUJKDBSA-N 2 0 350.507 0.727 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001129030364 848798139 /nfs/dbraw/zinc/79/81/39/848798139.db2.gz XEZXGIYMPXQPAX-OAGGEKHMSA-N 2 0 354.474 0.956 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129228341 848820271 /nfs/dbraw/zinc/82/02/71/848820271.db2.gz OIIZPRJZKAUSEA-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1)OC ZINC001129337715 848832311 /nfs/dbraw/zinc/83/23/11/848832311.db2.gz VMAVQVLOECJCJX-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129337751 848833067 /nfs/dbraw/zinc/83/30/67/848833067.db2.gz WMBYLZJCMDFFHB-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433853 848843779 /nfs/dbraw/zinc/84/37/79/848843779.db2.gz WDMDEWGHQNSBNW-XHSDSOJGSA-N 2 0 352.458 0.711 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899943 848910795 /nfs/dbraw/zinc/91/07/95/848910795.db2.gz SUDPQOVYNLPQFV-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983125 848926719 /nfs/dbraw/zinc/92/67/19/848926719.db2.gz NLYAAOBTUJARLA-KFWWJZLASA-N 2 0 352.458 0.710 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129985450 848926753 /nfs/dbraw/zinc/92/67/53/848926753.db2.gz XTUWSKUMAXOHOG-OLZOCXBDSA-N 2 0 362.400 0.914 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091205 848943356 /nfs/dbraw/zinc/94/33/56/848943356.db2.gz FWMBPJOQJUIOLQ-ZNMIVQPWSA-N 2 0 350.442 0.464 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091395 848943776 /nfs/dbraw/zinc/94/37/76/848943776.db2.gz QCZFRGYPBHQBRG-KFWWJZLASA-N 2 0 350.442 0.464 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130107156 848945887 /nfs/dbraw/zinc/94/58/87/848945887.db2.gz GKVLRGZHIMOUHO-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130107362 848945902 /nfs/dbraw/zinc/94/59/02/848945902.db2.gz MCHGFKNJPHFNPG-OLZOCXBDSA-N 2 0 362.400 0.914 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)OC ZINC001130125616 848948230 /nfs/dbraw/zinc/94/82/30/848948230.db2.gz WZGZGSIRPZIKGW-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001130216002 848977905 /nfs/dbraw/zinc/97/79/05/848977905.db2.gz LZCWMKMCDJBBKE-STQMWFEESA-N 2 0 350.467 0.387 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC[NH+](C)C)CC1 ZINC001130307652 848999164 /nfs/dbraw/zinc/99/91/64/848999164.db2.gz XDCADPAODUBMAK-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130305412 848999207 /nfs/dbraw/zinc/99/92/07/848999207.db2.gz ZEBYXIMAKMAQPH-QAPCUYQASA-N 2 0 356.486 0.773 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130715459 849029093 /nfs/dbraw/zinc/02/90/93/849029093.db2.gz ZTUSIKPMYDTNAY-HLLBOEOZSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130802219 849046711 /nfs/dbraw/zinc/04/67/11/849046711.db2.gz ITYNUXFSIAHUKI-QWHCGFSZSA-N 2 0 356.446 0.542 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1)[NH+](C)C ZINC001131015155 849071291 /nfs/dbraw/zinc/07/12/91/849071291.db2.gz PUCBIZWXYXQFEY-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131313382 849094671 /nfs/dbraw/zinc/09/46/71/849094671.db2.gz QAQIEVPMJZVWII-OAGGEKHMSA-N 2 0 350.463 0.454 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131593116 849128544 /nfs/dbraw/zinc/12/85/44/849128544.db2.gz MPGBKYHQJDYNIC-SUMDDJOVSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551183 849270931 /nfs/dbraw/zinc/27/09/31/849270931.db2.gz BCDWYGINLIZJTK-BRSBDYLESA-N 2 0 352.523 0.316 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001142791715 849461512 /nfs/dbraw/zinc/46/15/12/849461512.db2.gz MGIDHFDOIIBTME-MAWRTODSSA-N 2 0 367.437 0.547 20 0 FCADRP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN([C@H](C)C(N)=O)CC1 ZINC001151138019 849679059 /nfs/dbraw/zinc/67/90/59/849679059.db2.gz QDDUUWUTZZOIQK-RBSFLKMASA-N 2 0 354.495 0.188 20 0 FCADRP CC[N@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490815 849748969 /nfs/dbraw/zinc/74/89/69/849748969.db2.gz CDDKATCAFQONHF-RBSFLKMASA-N 2 0 352.479 0.302 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])Cc1ccccc1Cl ZINC001157323835 849963444 /nfs/dbraw/zinc/96/34/44/849963444.db2.gz PJDHYLUQEBGCFY-HIFRSBDPSA-N 2 0 354.882 0.960 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001157336937 849964948 /nfs/dbraw/zinc/96/49/48/849964948.db2.gz QHKTYZFWKZWFBZ-YJBOKZPZSA-N 2 0 350.438 0.372 20 0 FCADRP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369171 849967275 /nfs/dbraw/zinc/96/72/75/849967275.db2.gz QERYRJNYCOBDCY-ILXRZTDVSA-N 2 0 356.511 0.754 20 0 FCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001157741238 849990609 /nfs/dbraw/zinc/99/06/09/849990609.db2.gz UXKFZEGYCRLSPH-CZUORRHYSA-N 2 0 361.483 0.080 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2S(=O)(=O)N2CCCC2)CC1 ZINC001157915252 850005090 /nfs/dbraw/zinc/00/50/90/850005090.db2.gz NFXSTXCEYACIMO-UHFFFAOYSA-N 2 0 352.464 0.460 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250523 850029793 /nfs/dbraw/zinc/02/97/93/850029793.db2.gz URJTVGOPPFWHNS-XQQFMLRXSA-N 2 0 363.380 0.813 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CCC[NH2+]C)C2 ZINC001158380535 850042185 /nfs/dbraw/zinc/04/21/85/850042185.db2.gz FBIPNNWRNPTAMK-KGLIPLIRSA-N 2 0 351.369 0.530 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001158380224 850042646 /nfs/dbraw/zinc/04/26/46/850042646.db2.gz NDCCHKBPHWBNQO-CHWSQXEVSA-N 2 0 353.492 0.542 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C(C)(C)C[NH3+])C2 ZINC001158382771 850043255 /nfs/dbraw/zinc/04/32/55/850043255.db2.gz KZUSGVVVHVCRSY-ZIAGYGMSSA-N 2 0 351.369 0.515 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[C@@H]([NH3+])C1CC1)C2 ZINC001158383018 850043351 /nfs/dbraw/zinc/04/33/51/850043351.db2.gz NPHJKXIPJIJSCY-DFBGVHRSSA-N 2 0 363.380 0.657 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)C2 ZINC001158383577 850043376 /nfs/dbraw/zinc/04/33/76/850043376.db2.gz QWWLUFCUXCHBEN-OADPDTJPSA-N 2 0 361.364 0.282 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[NH+](CC)CC)C2 ZINC001158384068 850043850 /nfs/dbraw/zinc/04/38/50/850043850.db2.gz QETXTEKCLQHRTM-HUUCEWRRSA-N 2 0 365.396 0.872 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]([NH3+])Cc1cccs1 ZINC001158495986 850055540 /nfs/dbraw/zinc/05/55/40/850055540.db2.gz IIAZMJUIJOQUKC-NZBPQXDJSA-N 2 0 351.472 0.760 20 0 FCADRP C[NH+]1CCC(N(c2ccc(S(N)(=O)=O)cn2)C2CC[NH2+]CC2)CC1 ZINC001158580647 850061731 /nfs/dbraw/zinc/06/17/31/850061731.db2.gz IDGDPUSZPISMOE-UHFFFAOYSA-N 2 0 353.492 0.382 20 0 FCADRP CC(C)(C)N(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160384 850098755 /nfs/dbraw/zinc/09/87/55/850098755.db2.gz JQTLUUMXDNZKMN-GPINWOSQSA-N 2 0 350.507 0.746 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H]2C ZINC001159633033 850124519 /nfs/dbraw/zinc/12/45/19/850124519.db2.gz FIDGQHPJGSCNTD-RZAQHMAJSA-N 2 0 369.535 0.722 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667486 850127906 /nfs/dbraw/zinc/12/79/06/850127906.db2.gz UNWWJXBVSNKQNM-ZNMIVQPWSA-N 2 0 354.401 0.866 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667480 850128392 /nfs/dbraw/zinc/12/83/92/850128392.db2.gz UNWWJXBVSNKQNM-KFWWJZLASA-N 2 0 354.401 0.866 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834257 850139440 /nfs/dbraw/zinc/13/94/40/850139440.db2.gz UGXHLAUSYMSFNX-SOUVJXGZSA-N 3 0 361.515 0.375 20 0 FCADRP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)O1 ZINC001160228074 850159221 /nfs/dbraw/zinc/15/92/21/850159221.db2.gz NTDBEXRGUDMAPL-HDMKZQKVSA-N 2 0 354.495 0.365 20 0 FCADRP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001160325431 850165909 /nfs/dbraw/zinc/16/59/09/850165909.db2.gz JPYPTENMDVRAFA-ZIAGYGMSSA-N 2 0 350.467 0.289 20 0 FCADRP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)C[NH2+]CCC[NH3+])n1 ZINC001160324294 850166134 /nfs/dbraw/zinc/16/61/34/850166134.db2.gz UAAPEEPXVHONPC-AWEZNQCLSA-N 2 0 350.467 0.161 20 0 FCADRP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001160484928 850175569 /nfs/dbraw/zinc/17/55/69/850175569.db2.gz KHIINMBLUPBZLJ-INIZCTEOSA-N 2 0 355.527 0.151 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491005 850176664 /nfs/dbraw/zinc/17/66/64/850176664.db2.gz PKKVBRVSRQDFBK-OAHLLOKOSA-N 2 0 355.479 0.759 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)C1CC[NH2+]CC1 ZINC001160505447 850177778 /nfs/dbraw/zinc/17/77/78/850177778.db2.gz DVVSKSPITHERES-HNNXBMFYSA-N 2 0 353.854 0.827 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611789 850185727 /nfs/dbraw/zinc/18/57/27/850185727.db2.gz WDOWMZHYDFVJEH-KGLIPLIRSA-N 2 0 357.501 0.080 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160645144 850187586 /nfs/dbraw/zinc/18/75/86/850187586.db2.gz OQUZFYYJVJGBRM-IHRRRGAJSA-N 2 0 358.552 0.760 20 0 FCADRP CCc1noc([C@H]2CCCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)n1 ZINC001160741685 850196282 /nfs/dbraw/zinc/19/62/82/850196282.db2.gz JKHWITPPPAIOPT-GXTWGEPZSA-N 2 0 350.467 0.088 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C(F)(F)C3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160814104 850200452 /nfs/dbraw/zinc/20/04/52/850200452.db2.gz UTFKQHVNIVYALR-CZUORRHYSA-N 2 0 359.417 0.623 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CC(F)(F)C1 ZINC001160967197 850215036 /nfs/dbraw/zinc/21/50/36/850215036.db2.gz KNGXJWCUVPRZLY-GSDQYQHOSA-N 2 0 350.369 0.291 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001456 850220720 /nfs/dbraw/zinc/22/07/20/850220720.db2.gz YOJASVMUNHRIJH-WBVHZDCISA-N 3 0 350.507 0.166 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062449 850226456 /nfs/dbraw/zinc/22/64/56/850226456.db2.gz KDBNIWSZSILRFF-JONQDZQNSA-N 3 0 353.511 0.162 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@@H]21 ZINC001161082027 850228495 /nfs/dbraw/zinc/22/84/95/850228495.db2.gz NHIDPCLGQKKFIR-AGIUHOORSA-N 2 0 364.412 0.715 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC1 ZINC001161174892 850237573 /nfs/dbraw/zinc/23/75/73/850237573.db2.gz FYESQYWCBKKXON-QFBILLFUSA-N 2 0 353.507 0.840 20 0 FCADRP C[NH+]1CCC(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2CCCC2)CC1 ZINC001161454341 850259296 /nfs/dbraw/zinc/25/92/96/850259296.db2.gz UUIOOUARHBAVKH-UHFFFAOYSA-N 2 0 360.524 0.072 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001161478694 850262254 /nfs/dbraw/zinc/26/22/54/850262254.db2.gz NTXRMJUMDFXLMO-CABCVRRESA-N 2 0 359.465 0.069 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1nc3c(s1)C[NH2+]CC3)CC2 ZINC001161483129 850263097 /nfs/dbraw/zinc/26/30/97/850263097.db2.gz KSKHSGFDCIGPHU-LRDDRELGSA-N 2 0 350.444 0.156 20 0 FCADRP CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1C ZINC001161499146 850264638 /nfs/dbraw/zinc/26/46/38/850264638.db2.gz IHBKLCWDCKFRIQ-DZKIICNBSA-N 2 0 354.495 0.175 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001162725814 850327759 /nfs/dbraw/zinc/32/77/59/850327759.db2.gz MOQJZVULQSGJGZ-CQSZACIVSA-N 2 0 350.467 0.429 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001162724182 850328102 /nfs/dbraw/zinc/32/81/02/850328102.db2.gz BUPRVEPCXFWPSZ-CQSZACIVSA-N 2 0 350.467 0.429 20 0 FCADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)N1 ZINC001163246894 850361135 /nfs/dbraw/zinc/36/11/35/850361135.db2.gz BWCCKNCITQBJGV-RDJZCZTQSA-N 2 0 364.471 0.202 20 0 FCADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)N1 ZINC001163246893 850361984 /nfs/dbraw/zinc/36/19/84/850361984.db2.gz BWCCKNCITQBJGV-NVXWUHKLSA-N 2 0 364.471 0.202 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(CCN(COCCOC)C2=O)C1 ZINC001277833056 862121081 /nfs/dbraw/zinc/12/10/81/862121081.db2.gz ASWNOJNWXOOTAR-WMZOPIPTSA-N 2 0 357.495 0.234 20 0 FCADRP C[C@]1(C[NH3+])CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001164242865 850399442 /nfs/dbraw/zinc/39/94/42/850399442.db2.gz SKNDWDJHSQGUQX-KRWDZBQOSA-N 2 0 367.519 0.524 20 0 FCADRP C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164456461 850411293 /nfs/dbraw/zinc/41/12/93/850411293.db2.gz ODNDXCUYCZWODR-NEPJUHHUSA-N 2 0 353.492 0.132 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(C[NH3+])ncn1)C2 ZINC001165372611 850438314 /nfs/dbraw/zinc/43/83/14/850438314.db2.gz IQZCBIPMHMAJQZ-KBPBESRZSA-N 2 0 359.352 0.457 20 0 FCADRP Cc1cnc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c(C[NH3+])c1 ZINC001165501174 850445797 /nfs/dbraw/zinc/44/57/97/850445797.db2.gz XOVPTHUPNHPVGJ-UHFFFAOYSA-N 2 0 351.432 0.449 20 0 FCADRP C[NH+](C)C1CCC(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001168318618 850581137 /nfs/dbraw/zinc/58/11/37/850581137.db2.gz DSWRMOUCRRGMLB-UHFFFAOYSA-N 2 0 356.492 0.955 20 0 FCADRP CN(C)C(=O)CO[C@@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]2COC[C@H]12 ZINC001168378030 850585540 /nfs/dbraw/zinc/58/55/40/850585540.db2.gz KJCGJBBQHCEVTF-RCCFBDPRSA-N 2 0 351.491 0.665 20 0 FCADRP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CO1 ZINC001169359984 850618976 /nfs/dbraw/zinc/61/89/76/850618976.db2.gz XESIQYWUAKOIPK-YHUYYLMFSA-N 2 0 355.479 0.676 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(N3CC[NH2+][C@H](C)C3)nn2)O1 ZINC001170272666 850648986 /nfs/dbraw/zinc/64/89/86/850648986.db2.gz JUWCNTZVRFJDAC-WBOJAVRRSA-N 2 0 350.467 0.411 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCCOCCOCCC[NH3+])CC1=O ZINC001171686994 850693032 /nfs/dbraw/zinc/69/30/32/850693032.db2.gz GYJUAYKBKVQGMZ-CQSZACIVSA-N 2 0 359.467 0.884 20 0 FCADRP CCN1CC[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1=O ZINC001172032799 850703139 /nfs/dbraw/zinc/70/31/39/850703139.db2.gz RWSSVIUAOJKHAS-CQSZACIVSA-N 2 0 353.463 0.594 20 0 FCADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)O1 ZINC001172119056 850704244 /nfs/dbraw/zinc/70/42/44/850704244.db2.gz RXRCSVJKDWNFJB-HVKXIDHRSA-N 2 0 351.491 0.996 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001278102322 862188061 /nfs/dbraw/zinc/18/80/61/862188061.db2.gz WYBFENJVVBTRPZ-KRWDZBQOSA-N 2 0 355.552 0.441 20 0 FCADRP COCCN1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC001180893866 851076213 /nfs/dbraw/zinc/07/62/13/851076213.db2.gz VTTOOZRJMZWYCU-INIZCTEOSA-N 2 0 356.511 0.213 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525669 851117920 /nfs/dbraw/zinc/11/79/20/851117920.db2.gz QVJIBGDJABAKBX-YKTARERQSA-N 2 0 352.523 0.925 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[C@]1(F)Cl)CC2 ZINC001181657830 851126211 /nfs/dbraw/zinc/12/62/11/851126211.db2.gz CRYXGULJBHBEJX-SUMWQHHRSA-N 2 0 374.888 0.608 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001181985848 851144817 /nfs/dbraw/zinc/14/48/17/851144817.db2.gz KCPMUNYZWKUWNM-IAGOWNOFSA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001182561508 851181675 /nfs/dbraw/zinc/18/16/75/851181675.db2.gz VCZMFPNNYHBANA-ULQDDVLXSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001184415889 851307098 /nfs/dbraw/zinc/30/70/98/851307098.db2.gz VSLXGTBNVUFMIW-UHFFFAOYSA-N 2 0 369.491 0.371 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254252 851346331 /nfs/dbraw/zinc/34/63/31/851346331.db2.gz ZQUOJUUWLJDREZ-XHSDSOJGSA-N 2 0 363.531 0.812 20 0 FCADRP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410001 851430236 /nfs/dbraw/zinc/43/02/36/851430236.db2.gz KINGOJWSYGJULJ-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCF)C3(C2)CCOCC3)O1 ZINC001186409714 851430327 /nfs/dbraw/zinc/43/03/27/851430327.db2.gz CPILXMOVSLQQJB-BZUAXINKSA-N 2 0 357.470 0.520 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159736 851759568 /nfs/dbraw/zinc/75/95/68/851759568.db2.gz IURSYKOFIUIFSX-ARFHVFGLSA-N 2 0 350.507 0.728 20 0 FCADRP COCC[N@@H+]1CCC[C@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001278270845 862284605 /nfs/dbraw/zinc/28/46/05/862284605.db2.gz WNJWHFCTHLSHIC-IEBWSBKVSA-N 2 0 351.491 0.811 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787519 851824949 /nfs/dbraw/zinc/82/49/49/851824949.db2.gz PIWHMTXQKYSQQX-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001189871367 851832483 /nfs/dbraw/zinc/83/24/83/851832483.db2.gz LPESEYLVNXPFFY-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913742 851842242 /nfs/dbraw/zinc/84/22/42/851842242.db2.gz ZGVIDCHROKYJMC-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148800 851867193 /nfs/dbraw/zinc/86/71/93/851867193.db2.gz JWQSHXPIEGWFAS-ARFHVFGLSA-N 2 0 351.495 0.178 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178009 851870717 /nfs/dbraw/zinc/87/07/17/851870717.db2.gz UCWCVGWLMRKQGA-YESZJQIVSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229717 851880086 /nfs/dbraw/zinc/88/00/86/851880086.db2.gz NBSWIMUVUJVCCF-KURKYZTESA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001190237674 851881198 /nfs/dbraw/zinc/88/11/98/851881198.db2.gz CXMREIWVISXQAD-DJIMGWMZSA-N 2 0 350.507 0.728 20 0 FCADRP COC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278457705 862334496 /nfs/dbraw/zinc/33/44/96/862334496.db2.gz MUSODTQTBOESHX-SFHVURJKSA-N 2 0 354.495 0.158 20 0 FCADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977733 852329117 /nfs/dbraw/zinc/32/91/17/852329117.db2.gz KDNQDFOARNORNE-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001194400025 852592616 /nfs/dbraw/zinc/59/26/16/852592616.db2.gz YSBHTQQKNBASOV-ZACQAIPSSA-N 2 0 351.491 0.591 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CO[C@H](C)COC)CC2)CC1 ZINC001195258814 852732557 /nfs/dbraw/zinc/73/25/57/852732557.db2.gz RZIRZDHBDNAZOE-MJGOQNOKSA-N 2 0 357.539 0.891 20 0 FCADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581932 852790287 /nfs/dbraw/zinc/79/02/87/852790287.db2.gz XUKIDDCGTPNQFR-KZNAEPCWSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195633477 852801828 /nfs/dbraw/zinc/80/18/28/852801828.db2.gz IPWRUVNPTGJULB-HZPDHXFCSA-N 2 0 353.463 0.789 20 0 FCADRP Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981240 852860184 /nfs/dbraw/zinc/86/01/84/852860184.db2.gz QIDNSJUXORKFOG-IIAWOOMASA-N 2 0 354.520 0.742 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207956 852915073 /nfs/dbraw/zinc/91/50/73/852915073.db2.gz WSBQBFDWGZWNFC-GVDBMIGSSA-N 2 0 355.523 0.942 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207953 852915349 /nfs/dbraw/zinc/91/53/49/852915349.db2.gz WSBQBFDWGZWNFC-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308186 852934608 /nfs/dbraw/zinc/93/46/08/852934608.db2.gz YCDKVWVVJMGILG-FVQBIDKESA-N 2 0 368.503 0.305 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(S(C)(=O)=O)n1 ZINC001196411765 852954378 /nfs/dbraw/zinc/95/43/78/852954378.db2.gz KJVKIYLFKMZMPH-UHFFFAOYSA-N 2 0 370.519 0.831 20 0 FCADRP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798814 853015059 /nfs/dbraw/zinc/01/50/59/853015059.db2.gz UTHBPOVSUXOFIP-IAGOWNOFSA-N 2 0 351.495 0.656 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001197954971 853191075 /nfs/dbraw/zinc/19/10/75/853191075.db2.gz IVEXGUPAVHVEQN-BRWVUGGUSA-N 2 0 357.495 0.075 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001198729163 853307823 /nfs/dbraw/zinc/30/78/23/853307823.db2.gz DTSWPTGJTRQGQT-KZNAEPCWSA-N 2 0 353.507 0.840 20 0 FCADRP Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001199071400 853363842 /nfs/dbraw/zinc/36/38/42/853363842.db2.gz UUYYSCLERSJBRL-HZPDHXFCSA-N 2 0 350.463 0.829 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200546487 853502057 /nfs/dbraw/zinc/50/20/57/853502057.db2.gz DFCUZQBZRJWOML-BRWVUGGUSA-N 2 0 357.495 0.197 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200643431 853507201 /nfs/dbraw/zinc/50/72/01/853507201.db2.gz CKSSDXRKPMMAMF-KBAYOESNSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986374 853776941 /nfs/dbraw/zinc/77/69/41/853776941.db2.gz CVFHZYBNVYFIJV-HLLBOEOZSA-N 2 0 351.495 0.656 20 0 FCADRP CC(C)CN1C[C@@]23C[N@H+](CC4CC[NH+](C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207397449 853809052 /nfs/dbraw/zinc/80/90/52/853809052.db2.gz KLZGCWSUEKZDCS-SQNIBIBYSA-N 2 0 371.547 0.842 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070408 853890778 /nfs/dbraw/zinc/89/07/78/853890778.db2.gz LICMBUFKBXZUPA-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001208070158 853890841 /nfs/dbraw/zinc/89/08/41/853890841.db2.gz FJRYTLGVLWYLCE-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001208074371 853892561 /nfs/dbraw/zinc/89/25/61/853892561.db2.gz XKEKOBUZSSJQOY-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447687 853935395 /nfs/dbraw/zinc/93/53/95/853935395.db2.gz LRIJCVHPIRPZAU-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297930 854097202 /nfs/dbraw/zinc/09/72/02/854097202.db2.gz KHHYFLBSNYQRBL-OWCLPIDISA-N 2 0 356.511 0.258 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210298190 854097566 /nfs/dbraw/zinc/09/75/66/854097566.db2.gz LXOJMCHBPXKEQA-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298915 854098454 /nfs/dbraw/zinc/09/84/54/854098454.db2.gz UETLZEAFYYVNAF-IXDOHACOSA-N 2 0 359.511 0.035 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001210499437 854114542 /nfs/dbraw/zinc/11/45/42/854114542.db2.gz YXVAZUYQBFFOQM-HUUCEWRRSA-N 2 0 352.479 0.304 20 0 FCADRP C[NH+]1CCC(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001210889834 854139511 /nfs/dbraw/zinc/13/95/11/854139511.db2.gz NURPDTXWBBIDGD-UHFFFAOYSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026258 854147788 /nfs/dbraw/zinc/14/77/88/854147788.db2.gz XUJAERJDXIQUDE-FRRDWIJNSA-N 2 0 364.412 0.443 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211299919 854175267 /nfs/dbraw/zinc/17/52/67/854175267.db2.gz CGRVCAYLMUXBJL-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461015 854489231 /nfs/dbraw/zinc/48/92/31/854489231.db2.gz OLNKNLQMHLGAAW-ARFHVFGLSA-N 2 0 357.495 0.195 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192336 854527711 /nfs/dbraw/zinc/52/77/11/854527711.db2.gz QBNNTVNBBKDTMZ-CBYDULDESA-N 2 0 351.491 0.855 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374585 854593780 /nfs/dbraw/zinc/59/37/80/854593780.db2.gz MUHCOMLBVOZLTF-CHWSQXEVSA-N 2 0 355.401 0.723 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526208 854652181 /nfs/dbraw/zinc/65/21/81/854652181.db2.gz AJSLYNXLCWXTHY-QZTJIDSGSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213575920 854672536 /nfs/dbraw/zinc/67/25/36/854672536.db2.gz ASAPFNWHGAUBQH-DJIMGWMZSA-N 2 0 352.479 0.948 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213598504 854680772 /nfs/dbraw/zinc/68/07/72/854680772.db2.gz HOUFKFVAFBVSPP-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638177 854694629 /nfs/dbraw/zinc/69/46/29/854694629.db2.gz CDQFXRPYOOGZLV-IAGOWNOFSA-N 2 0 357.495 0.339 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213678282 854712160 /nfs/dbraw/zinc/71/21/60/854712160.db2.gz MZRFQWLAICFSRB-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214335763 854927049 /nfs/dbraw/zinc/92/70/49/854927049.db2.gz IBPQJSHPMPHVHP-RBSFLKMASA-N 2 0 357.520 0.342 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001214653863 854986845 /nfs/dbraw/zinc/98/68/45/854986845.db2.gz FQZOUYDFNPFGKJ-DDBAPUKQSA-N 2 0 353.507 0.816 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663945 854988053 /nfs/dbraw/zinc/98/80/53/854988053.db2.gz GIMQHRBLUPKNBQ-KLHDSHLOSA-N 2 0 353.511 0.471 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001214667867 854989354 /nfs/dbraw/zinc/98/93/54/854989354.db2.gz FNDDFGSIOYMSMB-YYIAUSFCSA-N 2 0 373.563 0.978 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001214665993 854989363 /nfs/dbraw/zinc/98/93/63/854989363.db2.gz OYCLPQJWWOJTTA-XLNGHYISSA-N 2 0 350.507 0.774 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214755261 855002372 /nfs/dbraw/zinc/00/23/72/855002372.db2.gz XZXJFDQSUTWOSD-VNQPRFMTSA-N 2 0 356.486 0.724 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214757204 855003643 /nfs/dbraw/zinc/00/36/43/855003643.db2.gz DWCHJLMFACBJQV-MGPQQGTHSA-N 2 0 351.488 0.147 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757156 855003711 /nfs/dbraw/zinc/00/37/11/855003711.db2.gz CKOPFTIIFPNEJJ-VNQPRFMTSA-N 2 0 354.474 0.914 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214779880 855012529 /nfs/dbraw/zinc/01/25/29/855012529.db2.gz BXKCNLBDXBGRNN-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845556 855022009 /nfs/dbraw/zinc/02/20/09/855022009.db2.gz ZFWLVSDHXYUGSI-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847755 855022052 /nfs/dbraw/zinc/02/20/52/855022052.db2.gz QNOAJGKGSPCALI-HUUCEWRRSA-N 2 0 353.511 0.615 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001214952820 855039065 /nfs/dbraw/zinc/03/90/65/855039065.db2.gz NVRJVLDDAKKNKL-RBSFLKMASA-N 2 0 362.540 0.093 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C)C1CC1 ZINC001214968771 855041595 /nfs/dbraw/zinc/04/15/95/855041595.db2.gz BDHNAKQAMFWJAT-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969404 855042361 /nfs/dbraw/zinc/04/23/61/855042361.db2.gz QINARDJHQCEGPP-BZUAXINKSA-N 2 0 353.511 0.615 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215002012 855050838 /nfs/dbraw/zinc/05/08/38/855050838.db2.gz VYJXVILDNQMAOY-HUUCEWRRSA-N 2 0 356.511 0.306 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215036280 855056514 /nfs/dbraw/zinc/05/65/14/855056514.db2.gz VEYUCDHDBRYRPD-OIISXLGYSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215067394 855060717 /nfs/dbraw/zinc/06/07/17/855060717.db2.gz RANQVRXYIKDBFE-CZUORRHYSA-N 2 0 364.471 0.819 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184751 855078614 /nfs/dbraw/zinc/07/86/14/855078614.db2.gz RSOGJDRBVSSHSH-LDBBTLTOSA-N 2 0 351.491 0.711 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224898 855084558 /nfs/dbraw/zinc/08/45/58/855084558.db2.gz ZPKGBGYUSHIQGP-NXHRZFHOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215228460 855085354 /nfs/dbraw/zinc/08/53/54/855085354.db2.gz QHZGYLRLUMPIIZ-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215407819 855111373 /nfs/dbraw/zinc/11/13/73/855111373.db2.gz SSTWASADFUPJSR-VNHYZAJKSA-N 2 0 350.463 0.868 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001215415597 855111944 /nfs/dbraw/zinc/11/19/44/855111944.db2.gz CBIRALOTIAUKDD-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001215415566 855112459 /nfs/dbraw/zinc/11/24/59/855112459.db2.gz AOUQJKZQAKHQMP-QLFBSQMISA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215421988 855112810 /nfs/dbraw/zinc/11/28/10/855112810.db2.gz SZHSUUWQOKPVFG-GDBMZVCRSA-N 2 0 350.463 0.674 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458655 855117204 /nfs/dbraw/zinc/11/72/04/855117204.db2.gz CXYLMMLQJPKXNO-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)s1 ZINC001215460959 855118378 /nfs/dbraw/zinc/11/83/78/855118378.db2.gz KWSAKMAGUCWYMS-ZYHUDNBSSA-N 2 0 354.480 0.173 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539915 855125841 /nfs/dbraw/zinc/12/58/41/855125841.db2.gz CLHAHCWXQPRQBH-HBUWYVDXSA-N 2 0 356.486 0.772 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C)C1CC1 ZINC001215539917 855126678 /nfs/dbraw/zinc/12/66/78/855126678.db2.gz COCRPUUGUKJPSO-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599236 855131326 /nfs/dbraw/zinc/13/13/26/855131326.db2.gz WHOOYCQOQJCXKQ-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215781955 855145702 /nfs/dbraw/zinc/14/57/02/855145702.db2.gz QCVVDEQEZSRKTH-JKIFEVAISA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215865301 855152276 /nfs/dbraw/zinc/15/22/76/855152276.db2.gz LJEIHPJNJWJJTI-NVXWUHKLSA-N 2 0 351.495 0.920 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215973113 855162051 /nfs/dbraw/zinc/16/20/51/855162051.db2.gz RBZSTKSFDCPKMI-ZIAGYGMSSA-N 2 0 355.483 0.130 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001215994326 855163369 /nfs/dbraw/zinc/16/33/69/855163369.db2.gz ZZZKMYTZYRGGJN-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216001918 855164069 /nfs/dbraw/zinc/16/40/69/855164069.db2.gz KJAUPERRJKDOQK-UKRRQHHQSA-N 2 0 351.447 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216002692 855164104 /nfs/dbraw/zinc/16/41/04/855164104.db2.gz ZGKYCJKVNRHRDK-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090705 855168881 /nfs/dbraw/zinc/16/88/81/855168881.db2.gz NJMAGXQGAXUCLW-GDBMZVCRSA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383801 855196545 /nfs/dbraw/zinc/19/65/45/855196545.db2.gz QFCDRSFLUXDDIW-BZUAXINKSA-N 2 0 353.511 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001216382836 855196761 /nfs/dbraw/zinc/19/67/61/855196761.db2.gz DNYLRNVFFZAACQ-HYVNUMGLSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001216383832 855197772 /nfs/dbraw/zinc/19/77/72/855197772.db2.gz QSKSUNAGVJNACQ-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001216410236 855200382 /nfs/dbraw/zinc/20/03/82/855200382.db2.gz WDPUATUMQXNANZ-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)CS(C)(=O)=O ZINC001216458813 855204995 /nfs/dbraw/zinc/20/49/95/855204995.db2.gz CCBNGCCSAMTPQZ-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216511352 855209710 /nfs/dbraw/zinc/20/97/10/855209710.db2.gz OXVWFHBEARPPPO-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216506435 855209836 /nfs/dbraw/zinc/20/98/36/855209836.db2.gz JDJNOIKFADOHIP-CHWSQXEVSA-N 2 0 368.507 0.645 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216511227 855209912 /nfs/dbraw/zinc/20/99/12/855209912.db2.gz NHKJEWLKKANZPY-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001216755848 855232618 /nfs/dbraw/zinc/23/26/18/855232618.db2.gz HBBMUKUJJRXPRH-CHWSQXEVSA-N 2 0 364.412 0.587 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216841071 855255395 /nfs/dbraw/zinc/25/53/95/855255395.db2.gz OIFLSZWJFKYFRK-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216851759 855259716 /nfs/dbraw/zinc/25/97/16/855259716.db2.gz HORRHCZCKZNFSG-BZUAXINKSA-N 2 0 359.536 0.588 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]CC1(C)C ZINC001218313043 855414253 /nfs/dbraw/zinc/41/42/53/855414253.db2.gz XYUUATNBMKSQSM-SNVBAGLBSA-N 2 0 352.435 0.528 20 0 FCADRP Cc1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1Br ZINC001218566127 855440102 /nfs/dbraw/zinc/44/01/02/855440102.db2.gz BELCELZVYUQDLM-CYBMUJFWSA-N 2 0 356.268 0.841 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645654 855457453 /nfs/dbraw/zinc/45/74/53/855457453.db2.gz KYWQKPYBTGTPRA-YESZJQIVSA-N 2 0 353.507 0.791 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218693905 855465427 /nfs/dbraw/zinc/46/54/27/855465427.db2.gz PFXUMKIGFMHJBA-AAEUAGOBSA-N 2 0 371.532 0.508 20 0 FCADRP Nc1cnc(N(CC(F)(F)F)C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1 ZINC001218740425 855473127 /nfs/dbraw/zinc/47/31/27/855473127.db2.gz KLILNWRRVVXLFW-LLVKDONJSA-N 2 0 358.368 0.828 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)S(=O)(=O)c1cccc(N)c1 ZINC001218846779 855485698 /nfs/dbraw/zinc/48/56/98/855485698.db2.gz JQLIPCNYBJCXNK-AWEZNQCLSA-N 2 0 366.487 0.394 20 0 FCADRP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001218854150 855486675 /nfs/dbraw/zinc/48/66/75/855486675.db2.gz SQJCCAYBABBPCR-SJKOYZFVSA-N 2 0 367.471 0.626 20 0 FCADRP NS(=O)(=O)c1cc(Cl)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001218962432 855503627 /nfs/dbraw/zinc/50/36/27/855503627.db2.gz MFSUMKZOBLTHNM-VIFPVBQESA-N 2 0 355.247 0.646 20 0 FCADRP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@@H](N)CSCC[NH3+] ZINC001219092808 855545277 /nfs/dbraw/zinc/54/52/77/855545277.db2.gz VDSLFUXQWSRFRE-NSHDSACASA-N 2 0 366.422 0.536 20 0 FCADRP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219169726 855571370 /nfs/dbraw/zinc/57/13/70/855571370.db2.gz IXCXMZNFLYOUMF-CQSZACIVSA-N 2 0 350.419 0.315 20 0 FCADRP [NH3+][C@H](CO)CC(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190646 855579650 /nfs/dbraw/zinc/57/96/50/855579650.db2.gz VFISJBNABTYJDZ-ZDUSSCGKSA-N 2 0 360.380 0.759 20 0 FCADRP COCCOc1c(F)cccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219307469 855624748 /nfs/dbraw/zinc/62/47/48/855624748.db2.gz YGFRBGMRUXKFEX-CQSZACIVSA-N 2 0 354.426 0.540 20 0 FCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001219555755 855712699 /nfs/dbraw/zinc/71/26/99/855712699.db2.gz QRESYMTZAMCPRN-MRXNPFEDSA-N 2 0 366.531 0.821 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737103 855792842 /nfs/dbraw/zinc/79/28/42/855792842.db2.gz OREULWSPQYQLGO-KOLCDFICSA-N 2 0 374.304 0.875 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219741754 855795089 /nfs/dbraw/zinc/79/50/89/855795089.db2.gz SSNJLECPPARRFT-JTDSTZFVSA-N 2 0 351.491 0.953 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219793670 855815123 /nfs/dbraw/zinc/81/51/23/855815123.db2.gz JJQWWXUNVHOQJS-KXBFYZLASA-N 3 0 350.507 0.478 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219796910 855817011 /nfs/dbraw/zinc/81/70/11/855817011.db2.gz WVBVQRCNMQRVLG-KSZLIROESA-N 2 0 353.507 0.837 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800650 855818981 /nfs/dbraw/zinc/81/89/81/855818981.db2.gz MCMISQAKLOSNAZ-ZFWWWQNUSA-N 2 0 353.463 0.465 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219802504 855820871 /nfs/dbraw/zinc/82/08/71/855820871.db2.gz QXFICGRXOOBYAF-IXDOHACOSA-N 2 0 353.507 0.837 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)c1ccc(Br)cc1 ZINC001219812438 855828200 /nfs/dbraw/zinc/82/82/00/855828200.db2.gz BBEOJGDDGAOISG-WHOFXGATSA-N 2 0 354.248 0.801 20 0 FCADRP [NH3+][C@@H](C(=O)NCc1noc2c1C[NH2+]CC2)C1CCC2(CC1)OCCO2 ZINC001219811349 855828423 /nfs/dbraw/zinc/82/84/23/855828423.db2.gz PSIZFFRNCJOHAA-OAHLLOKOSA-N 2 0 350.419 0.197 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814250 855829104 /nfs/dbraw/zinc/82/91/04/855829104.db2.gz ZTZSDKMPGRBSHC-KURKYZTESA-N 2 0 353.507 0.573 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852548 855845716 /nfs/dbraw/zinc/84/57/16/855845716.db2.gz UOLZSAGLAYXUSH-ZQDZILKHSA-N 2 0 355.479 0.566 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219899092 855870428 /nfs/dbraw/zinc/87/04/28/855870428.db2.gz ULYMYNBWWSKTFM-OLZOCXBDSA-N 2 0 369.428 0.847 20 0 FCADRP Cc1nn(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C)c1Br ZINC001219997310 855910681 /nfs/dbraw/zinc/91/06/81/855910681.db2.gz ROZRUHOBIBILAL-JTQLQIEISA-N 2 0 364.313 0.398 20 0 FCADRP C[NH2+]CCCCNC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220077377 855948481 /nfs/dbraw/zinc/94/84/81/855948481.db2.gz HRKJOLPBECUBNK-OAHLLOKOSA-N 2 0 352.504 0.479 20 0 FCADRP N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1nccs1 ZINC001220154317 855985275 /nfs/dbraw/zinc/98/52/75/855985275.db2.gz QIPDYWJJUXCNFP-QWRGUYRKSA-N 2 0 352.464 0.032 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220185401 855997925 /nfs/dbraw/zinc/99/79/25/855997925.db2.gz GZJPANHFYLGMIZ-KRWDZBQOSA-N 2 0 350.463 0.971 20 0 FCADRP COc1cc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccc1OC1COC1 ZINC001220193677 856003363 /nfs/dbraw/zinc/00/33/63/856003363.db2.gz KNFIVKKNERMUQJ-AWEZNQCLSA-N 2 0 351.447 0.935 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)COC1(C)C ZINC001220335233 856071147 /nfs/dbraw/zinc/07/11/47/856071147.db2.gz JWBRBVRXOPOELV-KKUMJFAQSA-N 2 0 354.495 0.534 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369922 856089595 /nfs/dbraw/zinc/08/95/95/856089595.db2.gz XZRZXJVQOYPDMI-SJORKVTESA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387322 856100715 /nfs/dbraw/zinc/10/07/15/856100715.db2.gz HLKJYUVVHFYHTQ-BBWFWOEESA-N 2 0 359.486 0.788 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001220517737 856163709 /nfs/dbraw/zinc/16/37/09/856163709.db2.gz XYJSJDSZIYXYMJ-CABCVRRESA-N 2 0 369.307 0.759 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)c1ccc(Br)cc1 ZINC001220607937 856204450 /nfs/dbraw/zinc/20/44/50/856204450.db2.gz QBYPRNMFRYWJPX-BHPKHCPMSA-N 2 0 353.264 0.787 20 0 FCADRP CCOC(=O)C1(C(=O)N[C@H](C[NH3+])c2ccc(Br)cc2)C[NH2+]C1 ZINC001220607335 856204624 /nfs/dbraw/zinc/20/46/24/856204624.db2.gz KCTATGXPMOOFTA-GFCCVEGCSA-N 2 0 370.247 0.718 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609645 856205931 /nfs/dbraw/zinc/20/59/31/856205931.db2.gz CWUPSVREVWJZBM-AUTRQRHGSA-N 2 0 357.252 0.417 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680644 856238222 /nfs/dbraw/zinc/23/82/22/856238222.db2.gz LMYKWKONOMJLQN-LOWDOPEQSA-N 2 0 364.412 0.952 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771255 856291141 /nfs/dbraw/zinc/29/11/41/856291141.db2.gz KPKSWFYHHPDIMM-OLZOCXBDSA-N 2 0 365.396 0.213 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803135 856307904 /nfs/dbraw/zinc/30/79/04/856307904.db2.gz CEHGGWXRAQXXEZ-BJDJZHNGSA-N 2 0 352.401 0.521 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001220826250 856327922 /nfs/dbraw/zinc/32/79/22/856327922.db2.gz UNGLESIAEOHVLM-SJORKVTESA-N 2 0 351.495 0.339 20 0 FCADRP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c(Br)c1 ZINC001220847527 856335722 /nfs/dbraw/zinc/33/57/22/856335722.db2.gz WXUFJHZWGRUDBG-LBPRGKRZSA-N 2 0 358.236 0.918 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870224 856349481 /nfs/dbraw/zinc/34/94/81/856349481.db2.gz JRWGIPWZOUXVOG-NSHDSACASA-N 2 0 359.268 0.893 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886598 856358713 /nfs/dbraw/zinc/35/87/13/856358713.db2.gz HTPRFLWYHUEVJO-HUUCEWRRSA-N 2 0 350.488 0.232 20 0 FCADRP O=C(CNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900991 856364500 /nfs/dbraw/zinc/36/45/00/856364500.db2.gz ROYBLINWXKRBNI-CVEARBPZSA-N 2 0 354.470 0.527 20 0 FCADRP [NH3+][C@@H](C(=O)NC1CCN(C(=O)NC2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001220909249 856368707 /nfs/dbraw/zinc/36/87/07/856368707.db2.gz PLJRAJIZJNXJDW-MRXNPFEDSA-N 2 0 351.495 0.546 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920756 856374882 /nfs/dbraw/zinc/37/48/82/856374882.db2.gz MKGGZDBVPHDBJV-BBRMVZONSA-N 2 0 350.438 0.873 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C2COC2)CC1 ZINC001220931071 856379420 /nfs/dbraw/zinc/37/94/20/856379420.db2.gz XSCYERKVJWKBNF-QAETUUGQSA-N 2 0 350.507 0.558 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936103 856384801 /nfs/dbraw/zinc/38/48/01/856384801.db2.gz CKBHUBBUCTZFFK-KOLCDFICSA-N 2 0 362.293 0.875 20 0 FCADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001221006143 856419106 /nfs/dbraw/zinc/41/91/06/856419106.db2.gz AOKHELFFOGNRAU-RBSFLKMASA-N 2 0 352.479 0.051 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221081201 856452887 /nfs/dbraw/zinc/45/28/87/856452887.db2.gz FUNKJSLFLUDCRK-KSZLIROESA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221081436 856453032 /nfs/dbraw/zinc/45/30/32/856453032.db2.gz LSZRSPNMRGPKKN-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)c1 ZINC001221091541 856459380 /nfs/dbraw/zinc/45/93/80/856459380.db2.gz CFDFNLVWRQUSNT-HNNXBMFYSA-N 3 0 352.504 0.491 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130469 856474894 /nfs/dbraw/zinc/47/48/94/856474894.db2.gz TTXCQQYOGHGXJQ-KRWDZBQOSA-N 3 0 351.539 0.413 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)[C@@H]2C1 ZINC001279269098 862803779 /nfs/dbraw/zinc/80/37/79/862803779.db2.gz JXQXRUBAXOFZFA-MWDXBVQZSA-N 2 0 351.491 0.775 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001221181065 856502346 /nfs/dbraw/zinc/50/23/46/856502346.db2.gz ATFADDNRSZWMRY-UHFFFAOYSA-N 2 0 360.384 0.519 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001221182165 856503197 /nfs/dbraw/zinc/50/31/97/856503197.db2.gz ZCYRFHFEERCTPO-NSHDSACASA-N 2 0 360.384 0.647 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1ccccc1 ZINC001221272174 856534814 /nfs/dbraw/zinc/53/48/14/856534814.db2.gz XXUHBZSPLJGMEB-WFBICUIVSA-N 2 0 362.458 0.600 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001221402418 856558854 /nfs/dbraw/zinc/55/88/54/856558854.db2.gz GTPKKWFMJQEYNT-GPANFISMSA-N 2 0 371.547 0.637 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cncs4)CC3)[C@@H]2C1 ZINC001279287068 862813018 /nfs/dbraw/zinc/81/30/18/862813018.db2.gz QGWZORZLKJSMLI-HZPDHXFCSA-N 2 0 363.531 0.717 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221762338 856674476 /nfs/dbraw/zinc/67/44/76/856674476.db2.gz YPCZMTZVPTWZCK-KZNAEPCWSA-N 2 0 353.507 0.650 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001221815927 856697198 /nfs/dbraw/zinc/69/71/98/856697198.db2.gz GRRMUGYWKWKUFI-IXDOHACOSA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221883664 856722562 /nfs/dbraw/zinc/72/25/62/856722562.db2.gz PQZDCDJHQXJJIO-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018156 856768935 /nfs/dbraw/zinc/76/89/35/856768935.db2.gz PNWJTSGSXBFCDV-RCCFBDPRSA-N 2 0 353.507 0.912 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892045 856880460 /nfs/dbraw/zinc/88/04/60/856880460.db2.gz LIPHIGWRGYHEQP-BPQIPLTHSA-N 2 0 353.507 0.912 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222922351 856883681 /nfs/dbraw/zinc/88/36/81/856883681.db2.gz WBVFYCLIJLEYMT-KURKYZTESA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001223239754 856903894 /nfs/dbraw/zinc/90/38/94/856903894.db2.gz NDTXRBRDCVUFRE-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737575 856939207 /nfs/dbraw/zinc/93/92/07/856939207.db2.gz PANONCIKNRJMCD-KURKYZTESA-N 2 0 353.507 0.648 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912254 856951346 /nfs/dbraw/zinc/95/13/46/856951346.db2.gz PRDRHBIUOSGXEP-ZACQAIPSSA-N 2 0 350.507 0.729 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222755 856970184 /nfs/dbraw/zinc/97/01/84/856970184.db2.gz YWOKRMRDGAUTPU-KURKYZTESA-N 2 0 353.507 0.793 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297115 857096006 /nfs/dbraw/zinc/09/60/06/857096006.db2.gz PRURPMOZGMGSCX-GVDBMIGSSA-N 2 0 350.507 0.871 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001226564819 857110023 /nfs/dbraw/zinc/11/00/23/857110023.db2.gz PPLHLENWWMZFDC-BZUAXINKSA-N 2 0 356.486 0.916 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001226766235 857124428 /nfs/dbraw/zinc/12/44/28/857124428.db2.gz KFWMAWOZCJFIJE-KZNAEPCWSA-N 2 0 355.523 0.990 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001226800820 857126912 /nfs/dbraw/zinc/12/69/12/857126912.db2.gz OOLAKIFDYRJFQW-BZUAXINKSA-N 2 0 359.536 0.778 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028881 857138405 /nfs/dbraw/zinc/13/84/05/857138405.db2.gz RCCJWDVBQVAYDX-HZPDHXFCSA-N 2 0 371.547 0.924 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001227083542 857140399 /nfs/dbraw/zinc/14/03/99/857140399.db2.gz UGCGUEZFPRJORK-OAGGEKHMSA-N 2 0 359.536 0.922 20 0 FCADRP CC(C)COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444850 857160491 /nfs/dbraw/zinc/16/04/91/857160491.db2.gz UMXIEELKHHSODG-KBAYOESNSA-N 2 0 355.523 0.941 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001227989131 857187434 /nfs/dbraw/zinc/18/74/34/857187434.db2.gz VFRQYMIMUSVMIP-KRWDZBQOSA-N 2 0 355.527 0.160 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001228207084 857197293 /nfs/dbraw/zinc/19/72/93/857197293.db2.gz OSEXYLVJPLWLLW-HZPDHXFCSA-N 2 0 353.463 0.981 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)CC1 ZINC001228341393 857205197 /nfs/dbraw/zinc/20/51/97/857205197.db2.gz FCSGAFQEIOSMBT-IAGOWNOFSA-N 2 0 350.507 0.871 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355665 857205905 /nfs/dbraw/zinc/20/59/05/857205905.db2.gz RIYHCLNHQQZQLO-ARFHVFGLSA-N 2 0 356.511 0.496 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+](CC)CC ZINC001228559368 857215328 /nfs/dbraw/zinc/21/53/28/857215328.db2.gz QGBHZNVOPKNEIH-MCIONIFRSA-N 2 0 355.483 0.319 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389130 857267753 /nfs/dbraw/zinc/26/77/53/857267753.db2.gz JUNLRSLVJDZJOK-USXIJHARSA-N 2 0 357.495 0.122 20 0 FCADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)on1 ZINC001229717669 857284233 /nfs/dbraw/zinc/28/42/33/857284233.db2.gz VJPDTDSJKNOXFW-HUUCEWRRSA-N 2 0 354.451 0.778 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@H]2C1 ZINC001279467135 862897222 /nfs/dbraw/zinc/89/72/22/862897222.db2.gz IQKCSQOKRDSPMN-IKGGRYGDSA-N 2 0 350.507 0.239 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001230284521 857322510 /nfs/dbraw/zinc/32/25/10/857322510.db2.gz JGUJEXOTSVQUSB-CHWSQXEVSA-N 2 0 368.507 0.834 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230274583 857322891 /nfs/dbraw/zinc/32/28/91/857322891.db2.gz AOOYOTLJZWOZAE-MGPQQGTHSA-N 2 0 355.483 0.188 20 0 FCADRP Cn1cc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770210 857366241 /nfs/dbraw/zinc/36/62/41/857366241.db2.gz RUKYLCSFBIQTJH-ZIAGYGMSSA-N 2 0 360.483 0.709 20 0 FCADRP Cn1nc(C(F)(F)F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1Cl ZINC001235869321 857432916 /nfs/dbraw/zinc/43/29/16/857432916.db2.gz AVONCHSSUYXEDV-UHFFFAOYSA-N 2 0 368.835 0.677 20 0 FCADRP Oc1cc(Br)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870082 857433579 /nfs/dbraw/zinc/43/35/79/857433579.db2.gz HOIWBEFDJSPGIN-UHFFFAOYSA-N 2 0 357.296 0.739 20 0 FCADRP CCOC(=O)c1[nH]c(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1C ZINC001235872168 857433769 /nfs/dbraw/zinc/43/37/69/857433769.db2.gz ZMLZFUCOXLVDOU-UHFFFAOYSA-N 2 0 351.495 0.393 20 0 FCADRP Fc1cncc(Br)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869992 857433781 /nfs/dbraw/zinc/43/37/81/857433781.db2.gz GRXZHWWQZZRWRC-UHFFFAOYSA-N 2 0 360.275 0.568 20 0 FCADRP COc1nc(OC)c(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1Cl ZINC001235874864 857434447 /nfs/dbraw/zinc/43/44/47/857434447.db2.gz MSYOAWPLWNLTCD-UHFFFAOYSA-N 2 0 357.886 0.337 20 0 FCADRP [NH3+]CCN(CC[NH3+])Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC001235877604 857434620 /nfs/dbraw/zinc/43/46/20/857434620.db2.gz OKFVYBMIAVFIRJ-UHFFFAOYSA-N 2 0 370.910 0.901 20 0 FCADRP CSc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Cl)n1 ZINC001236310588 857438917 /nfs/dbraw/zinc/43/89/17/857438917.db2.gz HXUHFYLSICVKKJ-UHFFFAOYSA-N 2 0 360.915 0.468 20 0 FCADRP CCOc1ncc(Cl)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312564 857439763 /nfs/dbraw/zinc/43/97/63/857439763.db2.gz UPTJJVAECHWGGW-UHFFFAOYSA-N 2 0 357.886 0.750 20 0 FCADRP Cc1ncc(Br)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236314828 857439952 /nfs/dbraw/zinc/43/99/52/857439952.db2.gz OHJRZCCSVKKZCS-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(OC)c1 ZINC001238238903 857463802 /nfs/dbraw/zinc/46/38/02/857463802.db2.gz ABCQPBZUMZJFRX-CYBMUJFWSA-N 2 0 369.487 0.856 20 0 FCADRP [NH3+]CCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001238203922 857464110 /nfs/dbraw/zinc/46/41/10/857464110.db2.gz GMXMHDGNWMQQLE-KRWDZBQOSA-N 3 0 366.531 0.366 20 0 FCADRP CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)s1 ZINC001238244253 857466307 /nfs/dbraw/zinc/46/63/07/857466307.db2.gz ZAUHRYWFMICECY-NSHDSACASA-N 2 0 373.504 0.254 20 0 FCADRP COc1cccc(CS(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238244286 857466311 /nfs/dbraw/zinc/46/63/11/857466311.db2.gz ZROVKUDNXZRVFW-HNNXBMFYSA-N 2 0 353.488 0.989 20 0 FCADRP CN(C)C(=O)CN1CCO[C@H]2CN(CC3(C[NH+](C)C)CCCC3)C[C@@H]21 ZINC001279493256 862914497 /nfs/dbraw/zinc/91/44/97/862914497.db2.gz ZMEGEVLYACJBMT-IRXDYDNUSA-N 2 0 352.523 0.582 20 0 FCADRP CC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])ccc21 ZINC001238879053 857485747 /nfs/dbraw/zinc/48/57/47/857485747.db2.gz GUDSYGRLFOALMV-UHFFFAOYSA-N 2 0 368.503 0.593 20 0 FCADRP CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001238880197 857485782 /nfs/dbraw/zinc/48/57/82/857485782.db2.gz XZCKLFRBUFJOCV-UHFFFAOYSA-N 2 0 363.505 0.087 20 0 FCADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)N(S(=O)(=O)[C@H]1CC[NH2+]C1)CC2 ZINC001239027198 857502193 /nfs/dbraw/zinc/50/21/93/857502193.db2.gz OUADOUAFHNYYGN-INIZCTEOSA-N 2 0 365.499 0.824 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2occc2c1 ZINC001239132058 857517820 /nfs/dbraw/zinc/51/78/20/857517820.db2.gz YYGSWUXGFQLBKI-UHFFFAOYSA-N 2 0 368.459 0.237 20 0 FCADRP COc1ccc(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c(C)c1 ZINC001239294850 857525717 /nfs/dbraw/zinc/52/57/17/857525717.db2.gz CRBGYUPCHZAGNN-UHFFFAOYSA-N 2 0 351.451 0.651 20 0 FCADRP Cc1cc(F)ccc1NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450778 857529957 /nfs/dbraw/zinc/52/99/57/857529957.db2.gz HBTNQYZRJLNJNF-UHFFFAOYSA-N 2 0 355.483 0.947 20 0 FCADRP O[C@@H](CNc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1)CC1(O)CC[NH2+]CC1 ZINC001245967998 857561444 /nfs/dbraw/zinc/56/14/44/857561444.db2.gz LUWGAWWWRVBQQF-HUUCEWRRSA-N 2 0 353.438 0.844 20 0 FCADRP O[C@@H](CNc1cc(F)ccc1O[C@@H]1CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245967952 857561462 /nfs/dbraw/zinc/56/14/62/857561462.db2.gz KZZYFWCYIPKNPE-HUUCEWRRSA-N 2 0 353.438 0.844 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001245978176 857561815 /nfs/dbraw/zinc/56/18/15/857561815.db2.gz JYILBSNHUCOSCC-VDMKFOLZSA-N 3 0 355.429 0.552 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245981392 857562697 /nfs/dbraw/zinc/56/26/97/857562697.db2.gz GRJQHVDLLWFVEU-CUWKQTPXSA-N 3 0 355.429 0.410 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1noc2c1C[NH2+]CC2 ZINC001245984311 857563551 /nfs/dbraw/zinc/56/35/51/857563551.db2.gz OFGWZEZNZKPOPS-GOEBONIOSA-N 2 0 352.385 0.619 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001246018437 857564139 /nfs/dbraw/zinc/56/41/39/857564139.db2.gz DLGUSDIERJRFDU-HKUYNNGSSA-N 2 0 352.475 0.791 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246019807 857564396 /nfs/dbraw/zinc/56/43/96/857564396.db2.gz AJGOUJAAMHCSLK-RCCFBDPRSA-N 2 0 355.429 0.650 20 0 FCADRP CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020054 857564988 /nfs/dbraw/zinc/56/49/88/857564988.db2.gz HCQOGJXPFCTFHI-BHYGNILZSA-N 2 0 350.459 0.753 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC1(O)CC[NH2+]CC1)C2 ZINC001246030078 857565549 /nfs/dbraw/zinc/56/55/49/857565549.db2.gz CAWOKXJBPGJIGU-HUUCEWRRSA-N 2 0 365.396 0.118 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CN1)N1CCSC1 ZINC001246143200 857569609 /nfs/dbraw/zinc/56/96/09/857569609.db2.gz UVFVBBLGMXJLQP-ZOBUZTSGSA-N 2 0 363.531 0.451 20 0 FCADRP O=S(=O)(c1ccccc1)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236627 857571228 /nfs/dbraw/zinc/57/12/28/857571228.db2.gz NJKMGPLDHWPRAZ-INIZCTEOSA-N 2 0 364.515 0.523 20 0 FCADRP O=C([C@@H]1C[C@H](NC[C@H]2CC[NH2+][C@H]2c2cccnc2)C[NH2+]1)N1CCSC1 ZINC001246338277 857573523 /nfs/dbraw/zinc/57/35/23/857573523.db2.gz FAAPNLQBYKMTDY-QZWWFDLISA-N 2 0 361.515 0.585 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCCNCCC[NH3+])CC1 ZINC001246453241 857580258 /nfs/dbraw/zinc/58/02/58/857580258.db2.gz MJCPEMITZJODLJ-UHFFFAOYSA-N 2 0 357.495 0.960 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]C[C@@]4(CCCCN4)C3)C[C@H](C1)[NH2+]2 ZINC001246636415 857587121 /nfs/dbraw/zinc/58/71/21/857587121.db2.gz VOCKSRCVANMTBL-SANTULGFSA-N 2 0 350.507 0.476 20 0 FCADRP COCCN1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699263 857592663 /nfs/dbraw/zinc/59/26/63/857592663.db2.gz ZLQOJQFDTQPBBU-ROUUACIJSA-N 2 0 352.523 0.141 20 0 FCADRP O=C(c1cscn1)N1C[C@H]2C[C@@H](C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765332 857599624 /nfs/dbraw/zinc/59/96/24/857599624.db2.gz JDKKVDULINIPKV-ZNMIVQPWSA-N 2 0 361.515 0.631 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246945467 857606541 /nfs/dbraw/zinc/60/65/41/857606541.db2.gz YKRDHFWEALNNCK-SFHVURJKSA-N 3 0 368.591 0.858 20 0 FCADRP O=S(=O)(c1ccccc1)N1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246964405 857607806 /nfs/dbraw/zinc/60/78/06/857607806.db2.gz YUSIALSRCYIZQI-MRXNPFEDSA-N 2 0 364.515 0.477 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001249833743 857650362 /nfs/dbraw/zinc/65/03/62/857650362.db2.gz XJHMRZNFDKHVRK-IRXDYDNUSA-N 2 0 363.531 0.793 20 0 FCADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H](O)CN1CCOCC1 ZINC001251022218 857684672 /nfs/dbraw/zinc/68/46/72/857684672.db2.gz XWCMMQPNXPDKKY-LJQANCHMSA-N 2 0 358.571 0.665 20 0 FCADRP C[N@@H+]1CCCN(CC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453465 857724327 /nfs/dbraw/zinc/72/43/27/857724327.db2.gz OHULMHJKXMBAHB-GOSISDBHSA-N 2 0 356.511 0.585 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COCC(F)(F)C(F)F ZINC001251569395 857731061 /nfs/dbraw/zinc/73/10/61/857731061.db2.gz GVTLZZOFKYUICW-HZSPNIEDSA-N 2 0 371.419 0.975 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)COCC(F)(F)C(F)F)CC2)CC1 ZINC001251576410 857731336 /nfs/dbraw/zinc/73/13/36/857731336.db2.gz ZKBOQCBRMYELST-CQSZACIVSA-N 2 0 371.419 0.976 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccns4)CC3)[C@H]2C1 ZINC001279555738 862956084 /nfs/dbraw/zinc/95/60/84/862956084.db2.gz DPFWEVHDCRASBT-HOTGVXAUSA-N 2 0 363.531 0.717 20 0 FCADRP OCCc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC001253162312 857866958 /nfs/dbraw/zinc/86/69/58/857866958.db2.gz HYLKSOIYSWSQGG-SFHVURJKSA-N 2 0 352.475 0.255 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253182668 857869595 /nfs/dbraw/zinc/86/95/95/857869595.db2.gz SGXVEVGDRJGILF-RBUKOAKNSA-N 2 0 357.539 0.750 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001253185346 857870660 /nfs/dbraw/zinc/87/06/60/857870660.db2.gz FQNWCYXVVKBAHT-XDNAFOTISA-N 2 0 350.511 0.375 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001253209999 857872536 /nfs/dbraw/zinc/87/25/36/857872536.db2.gz KONJHIIXHZCQGG-INIZCTEOSA-N 2 0 370.519 0.527 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253631656 857896573 /nfs/dbraw/zinc/89/65/73/857896573.db2.gz KGJATGANJXMIPF-IBGZPJMESA-N 2 0 351.491 0.906 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678697 857902838 /nfs/dbraw/zinc/90/28/38/857902838.db2.gz NUOXGZVJVMSEMP-OWCLPIDISA-N 2 0 358.479 0.358 20 0 FCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CCC[N@H+](C)CC2)S(C)(=O)=O)cn1 ZINC001254519666 857977407 /nfs/dbraw/zinc/97/74/07/857977407.db2.gz UPPWKQASPIKBHC-IXDOHACOSA-N 2 0 369.535 0.439 20 0 FCADRP CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH+]1CCN(CC[NH3+])CC1)CCO2 ZINC001254809803 857987421 /nfs/dbraw/zinc/98/74/21/857987421.db2.gz NRQBOHADJJRBOL-OAHLLOKOSA-N 2 0 354.495 0.731 20 0 FCADRP C[N@@H+]1CC[C@H](N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255434278 858011236 /nfs/dbraw/zinc/01/12/36/858011236.db2.gz PJLHIZUZGFLXIZ-YQQAZPJKSA-N 2 0 357.520 0.786 20 0 FCADRP CN1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001255488323 858015472 /nfs/dbraw/zinc/01/54/72/858015472.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 2 0 351.539 0.251 20 0 FCADRP CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279609091 862976686 /nfs/dbraw/zinc/97/66/86/862976686.db2.gz GVVCICNWVDUJTD-IBGZPJMESA-N 2 0 352.523 0.583 20 0 FCADRP CC[NH+](CC)CC[C@H](C)N(Cc1cnc2n1CC[NH2+]CC2)S(C)(=O)=O ZINC001255963945 858042893 /nfs/dbraw/zinc/04/28/93/858042893.db2.gz UPPLMJNXDMUUEX-HNNXBMFYSA-N 2 0 371.551 0.911 20 0 FCADRP CS(=O)(=O)N(C1CC[NH+](C2CC2)CC1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001256076973 858053082 /nfs/dbraw/zinc/05/30/82/858053082.db2.gz LGXDSWPPNZBTKD-XKQJLSEDSA-N 2 0 357.520 0.642 20 0 FCADRP C[NH+]1CCC([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC1 ZINC001256207356 858056785 /nfs/dbraw/zinc/05/67/85/858056785.db2.gz JCUHHDMWXPBYGO-NXHRZFHOSA-N 2 0 351.491 0.666 20 0 FCADRP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CCC([NH+]3CCOCC3)CC2)O1 ZINC001256690589 858095048 /nfs/dbraw/zinc/09/50/48/858095048.db2.gz JBYQMWRHZIGAIX-NHHFINERSA-N 2 0 351.491 0.950 20 0 FCADRP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256690733 858095083 /nfs/dbraw/zinc/09/50/83/858095083.db2.gz KUXWJATXBQEWHT-HTPOPCQBSA-N 2 0 351.491 0.857 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001257110586 858119882 /nfs/dbraw/zinc/11/98/82/858119882.db2.gz NEUCRPOAPIGBPQ-CPUCHLNUSA-N 2 0 356.536 0.529 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257224445 858127178 /nfs/dbraw/zinc/12/71/78/858127178.db2.gz FVXUAODAOUVESK-UHFFFAOYSA-N 2 0 366.531 0.952 20 0 FCADRP CC(C)[N@H+](C)Cc1nn(C2CCN(S(C)(=O)=O)CC2)c2c1CC[NH2+]C2 ZINC001257237120 858130874 /nfs/dbraw/zinc/13/08/74/858130874.db2.gz TYJWGEHPXTWTLO-UHFFFAOYSA-N 2 0 369.535 0.966 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@H](C)N(CCN(C)C)CCN(C)C ZINC001257934300 858168809 /nfs/dbraw/zinc/16/88/09/858168809.db2.gz BUIOORNEPVKSBF-HNNXBMFYSA-N 2 0 365.540 0.168 20 0 FCADRP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1 ZINC001258011862 858173793 /nfs/dbraw/zinc/17/37/93/858173793.db2.gz KSBCKBCURVPUBX-RCCFBDPRSA-N 2 0 353.507 0.911 20 0 FCADRP CCC[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001258773480 858210744 /nfs/dbraw/zinc/21/07/44/858210744.db2.gz JYJGJQLZUOJJFX-APWZRJJASA-N 2 0 353.507 0.914 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259366499 858264655 /nfs/dbraw/zinc/26/46/55/858264655.db2.gz UPEJGGYKZHIZLN-UHFFFAOYSA-N 2 0 365.503 0.986 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001262033821 858763334 /nfs/dbraw/zinc/76/33/34/858763334.db2.gz KKRAOLLFYIZROT-ZDUSSCGKSA-N 2 0 352.504 0.930 20 0 FCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001263129381 859108403 /nfs/dbraw/zinc/10/84/03/859108403.db2.gz KOABMBUQLHQFNR-CWRNSKLLSA-N 2 0 351.495 0.497 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001264094783 859309517 /nfs/dbraw/zinc/30/95/17/859309517.db2.gz SRNZJFLAIKPXNK-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264098295 859310666 /nfs/dbraw/zinc/31/06/66/859310666.db2.gz DUNGTDIPUTYDDD-SQNIBIBYSA-N 2 0 353.507 0.506 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001270155044 859668393 /nfs/dbraw/zinc/66/83/93/859668393.db2.gz DIOAUNMMWUDQIE-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500601 860509626 /nfs/dbraw/zinc/50/96/26/860509626.db2.gz BVQIOOVWNYVKRO-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001273511922 860514148 /nfs/dbraw/zinc/51/41/48/860514148.db2.gz NIZUYAYLZNKJJY-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001273790041 860600724 /nfs/dbraw/zinc/60/07/24/860600724.db2.gz VOLJVOQIHJDXRA-INIZCTEOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273834099 860613412 /nfs/dbraw/zinc/61/34/12/860613412.db2.gz AMRWHMNMMYWOGD-IEBWSBKVSA-N 2 0 352.523 0.583 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H](C1)O2 ZINC001274409875 860745224 /nfs/dbraw/zinc/74/52/24/860745224.db2.gz XTDWOTJXKHYGMF-HDICACEKSA-N 2 0 352.523 0.726 20 0 FCADRP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C ZINC001274908726 860869383 /nfs/dbraw/zinc/86/93/83/860869383.db2.gz NYOPQTLKVCOQQQ-AJNGGQMLSA-N 2 0 350.488 0.692 20 0 FCADRP CC(C)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275063364 860926989 /nfs/dbraw/zinc/92/69/89/860926989.db2.gz KWWTZKNVAXLXCI-IBGZPJMESA-N 2 0 352.523 0.583 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCCC1OCCO1)C2 ZINC001275292667 861018683 /nfs/dbraw/zinc/01/86/83/861018683.db2.gz FBLYTXFERYXYFE-SFHVURJKSA-N 2 0 355.479 0.252 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cnc(N)s3)C2)C1=O ZINC001275732821 861173778 /nfs/dbraw/zinc/17/37/78/861173778.db2.gz JAMHVTYXSUGHED-INIZCTEOSA-N 2 0 351.476 0.628 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736121 861178739 /nfs/dbraw/zinc/17/87/39/861178739.db2.gz BHELYHMTQNLNQO-KDOFPFPSSA-N 2 0 353.463 0.241 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736405 861180431 /nfs/dbraw/zinc/18/04/31/861180431.db2.gz DLSYBAVSJLDPAW-RDTXWAMCSA-N 2 0 350.463 0.091 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736398 861180565 /nfs/dbraw/zinc/18/05/65/861180565.db2.gz DLSYBAVSJLDPAW-KDOFPFPSSA-N 2 0 350.463 0.091 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736427 861180587 /nfs/dbraw/zinc/18/05/87/861180587.db2.gz DPOFFRJQVXQDPU-QAPCUYQASA-N 2 0 353.463 0.098 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736424 861180757 /nfs/dbraw/zinc/18/07/57/861180757.db2.gz DPOFFRJQVXQDPU-MAUKXSAKSA-N 2 0 353.463 0.098 20 0 FCADRP CC(=O)[C@H](C)N1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743685 861187942 /nfs/dbraw/zinc/18/79/42/861187942.db2.gz URFQLAUOXCTKLS-HNAYVOBHSA-N 2 0 351.491 0.999 20 0 FCADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](CC4CCOCC4)C[C@H]23)CC1 ZINC001279891989 863118203 /nfs/dbraw/zinc/11/82/03/863118203.db2.gz MSAJWGSJRGSFTI-JKSUJKDBSA-N 2 0 350.463 0.310 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](C[C@H]2CCOC2)C3)CC1 ZINC001279893626 863119853 /nfs/dbraw/zinc/11/98/53/863119853.db2.gz LYNXNLUJJWJRNK-WBVHZDCISA-N 2 0 351.491 0.572 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914412 863133559 /nfs/dbraw/zinc/13/35/59/863133559.db2.gz QRLQLTRZKIEMIG-LPHOPBHVSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975010 863160629 /nfs/dbraw/zinc/16/06/29/863160629.db2.gz ARUSKMPSVMSRTD-KRWDZBQOSA-N 2 0 355.552 0.299 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279975299 863161923 /nfs/dbraw/zinc/16/19/23/863161923.db2.gz DQZXDBLWZDHHTI-GOSISDBHSA-N 2 0 369.579 0.689 20 0 FCADRP COC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280056976 863228007 /nfs/dbraw/zinc/22/80/07/863228007.db2.gz VUYLEUXMFXLECB-HOTGVXAUSA-N 2 0 352.523 0.485 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280125120 863276969 /nfs/dbraw/zinc/27/69/69/863276969.db2.gz DHCOPEFESHWBAY-DNVCBOLYSA-N 2 0 350.482 0.515 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280141074 863290591 /nfs/dbraw/zinc/29/05/91/863290591.db2.gz PMWXXZZGJWPSJH-NVXWUHKLSA-N 2 0 357.520 0.201 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280218982 863343605 /nfs/dbraw/zinc/34/36/05/863343605.db2.gz LZOMUGHEXOHZQZ-KSZLIROESA-N 2 0 350.507 0.334 20 0 FCADRP COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001280246166 863357951 /nfs/dbraw/zinc/35/79/51/863357951.db2.gz RTQGDLBJPDUHFE-YQQQUEKLSA-N 2 0 354.539 0.829 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001280256154 863361755 /nfs/dbraw/zinc/36/17/55/863361755.db2.gz ATJCRFKXNXOAKZ-OSBBLCOHSA-N 2 0 350.507 0.537 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280256194 863362168 /nfs/dbraw/zinc/36/21/68/863362168.db2.gz BOAIVKFMTXKQMN-NVXWUHKLSA-N 2 0 351.491 0.429 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001280258244 863364444 /nfs/dbraw/zinc/36/44/44/863364444.db2.gz LKJPLMACDTXXCW-HOTGVXAUSA-N 2 0 350.507 0.635 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@H]2C1 ZINC001280279430 863375781 /nfs/dbraw/zinc/37/57/81/863375781.db2.gz XLXBWLBBKROWTJ-HOTGVXAUSA-N 2 0 357.470 0.869 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001280391422 863421453 /nfs/dbraw/zinc/42/14/53/863421453.db2.gz QNJANZVWYQHELE-OWCLPIDISA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001282211603 864125087 /nfs/dbraw/zinc/12/50/87/864125087.db2.gz VOFSLUKGFWCEPU-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1)[NH+](C)C ZINC001282307522 864180712 /nfs/dbraw/zinc/18/07/12/864180712.db2.gz YQIXLRXWYGPEIE-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@@H+]1C ZINC001284736912 864594053 /nfs/dbraw/zinc/59/40/53/864594053.db2.gz PNVCZJCIDJYOGL-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)CC1 ZINC001298438276 866114326 /nfs/dbraw/zinc/11/43/26/866114326.db2.gz UETLFZBTFCKXJQ-GOSISDBHSA-N 2 0 366.575 0.910 20 0 FCADRP COC(=O)C1CC2(C1)C[C@H]([NH2+]CC1CC[NH+](C)CC1)CCS2(=O)=O ZINC001308971613 866726780 /nfs/dbraw/zinc/72/67/80/866726780.db2.gz IHVUQVUZLHTIPI-ISXOHVOVSA-N 2 0 358.504 0.817 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001311531500 867109949 /nfs/dbraw/zinc/10/99/49/867109949.db2.gz ABWKXERNBQUJBQ-INIZCTEOSA-N 2 0 355.527 0.158 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001353507474 867438801 /nfs/dbraw/zinc/43/88/01/867438801.db2.gz NHWFAWQSKDLKNJ-IXDOHACOSA-N 2 0 353.511 0.162 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001353519406 867442234 /nfs/dbraw/zinc/44/22/34/867442234.db2.gz XSJIFALDFDZGBC-FZKCQIBNSA-N 2 0 351.495 0.546 20 0 FCADRP [NH3+]C[C@@H](C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C1CCCCCC1 ZINC001353612296 867455412 /nfs/dbraw/zinc/45/54/12/867455412.db2.gz AWUQGIVPWAUFQR-IAGOWNOFSA-N 2 0 350.507 0.955 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC001353677296 867470417 /nfs/dbraw/zinc/47/04/17/867470417.db2.gz GQBUAKQBIDUXQY-CAOSSQGBSA-N 2 0 357.520 0.484 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001318295679 867636570 /nfs/dbraw/zinc/63/65/70/867636570.db2.gz ZSJLGWAEZKINIR-HNNXBMFYSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCNC(=O)[C@@H]2CCCC[NH+]2C)C2CC2)CC[N@@H+]1C ZINC001356640242 868037929 /nfs/dbraw/zinc/03/79/29/868037929.db2.gz VJNJGRXSQGBXGF-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001357561021 868135204 /nfs/dbraw/zinc/13/52/04/868135204.db2.gz QPDOHBAPEGAZSK-SJLPKXTDSA-N 2 0 351.539 0.901 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001321982024 868691078 /nfs/dbraw/zinc/69/10/78/868691078.db2.gz CRDLVNRTPDMPIS-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP OC[C@@H]1C[NH+](CCOCC[N@@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC001323999212 869442385 /nfs/dbraw/zinc/44/23/85/869442385.db2.gz LJZZUSADMJBHLT-KBPBESRZSA-N 2 0 372.403 0.902 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC[NH2+]CC2 ZINC001326142798 870183467 /nfs/dbraw/zinc/18/34/67/870183467.db2.gz QGVWUALWOVJEOL-KSSFIOAISA-N 2 0 368.547 0.531 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001327413836 870852176 /nfs/dbraw/zinc/85/21/76/870852176.db2.gz YOAZSFZZEVQMML-KXBFYZLASA-N 2 0 350.507 0.907 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457399 871442975 /nfs/dbraw/zinc/44/29/75/871442975.db2.gz RILJTCGVJYFXIE-MSOLQXFVSA-N 2 0 352.523 0.774 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001346205146 871706480 /nfs/dbraw/zinc/70/64/80/871706480.db2.gz ZOFSAOWAHLNHMJ-GOSISDBHSA-N 2 0 369.531 0.741 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346265016 871737855 /nfs/dbraw/zinc/73/78/55/871737855.db2.gz RTZNBFVSMILSBK-HZPDHXFCSA-N 2 0 353.511 0.761 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001329143365 871846609 /nfs/dbraw/zinc/84/66/09/871846609.db2.gz USEGYQMXWDJIGJ-WMLDXEAASA-N 2 0 355.504 0.349 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCN3CCC4(C3)OCCO4)C2)C1 ZINC001346553849 871900749 /nfs/dbraw/zinc/90/07/49/871900749.db2.gz MKDOBBPBYWTYQB-QGZVFWFLSA-N 2 0 352.479 0.563 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001329252040 871912251 /nfs/dbraw/zinc/91/22/51/871912251.db2.gz DOTHKWRXFNPURI-USTZCAOPSA-N 2 0 374.598 0.045 20 0 FCADRP C[C@H]1CCCN(C(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001346623034 871936561 /nfs/dbraw/zinc/93/65/61/871936561.db2.gz IUDMAZOLQPAOCD-INIZCTEOSA-N 2 0 355.527 0.770 20 0 FCADRP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001347187301 872210890 /nfs/dbraw/zinc/21/08/90/872210890.db2.gz QESATBOAJOUEEY-WBVHZDCISA-N 2 0 353.511 0.127 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC(C)C)C[C@H]1C ZINC001347438703 872333540 /nfs/dbraw/zinc/33/35/40/872333540.db2.gz PANDKHBAMOUWNE-ZIAGYGMSSA-N 2 0 350.467 0.950 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC001347620644 872422293 /nfs/dbraw/zinc/42/22/93/872422293.db2.gz LIWKFAYYYXOXJS-IAGOWNOFSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001348237729 872638732 /nfs/dbraw/zinc/63/87/32/872638732.db2.gz UUIYKRDQIXOPGF-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001348517262 872717855 /nfs/dbraw/zinc/71/78/55/872717855.db2.gz MEQLQUCUJZSALD-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001330691796 872767982 /nfs/dbraw/zinc/76/79/82/872767982.db2.gz RSEVTBMRKAXRPB-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C(F)(F)F ZINC001331065854 872943217 /nfs/dbraw/zinc/94/32/17/872943217.db2.gz FVZJTCDEGIOYOV-IJLUTSLNSA-N 2 0 360.384 0.802 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC001331129010 872973585 /nfs/dbraw/zinc/97/35/85/872973585.db2.gz ZVTFSSPTFMOQMF-LVQVYYBASA-N 2 0 354.495 0.093 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC001332251829 873423425 /nfs/dbraw/zinc/42/34/25/873423425.db2.gz UCYZMJYGPPALSR-INIZCTEOSA-N 2 0 354.495 0.202 20 0 FCADRP [NH3+]CCCCCCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332283280 873434771 /nfs/dbraw/zinc/43/47/71/873434771.db2.gz WQSXMAFDYGZEIQ-HOTGVXAUSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332687 873460202 /nfs/dbraw/zinc/46/02/02/873460202.db2.gz SNBAOXIKCLOLFB-VVLHAWIVSA-N 2 0 350.507 0.953 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)N1 ZINC001332340788 873464056 /nfs/dbraw/zinc/46/40/56/873464056.db2.gz QKDGEMDSDLCGOK-PGMGQSNYSA-N 2 0 350.463 0.475 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001332628402 873587828 /nfs/dbraw/zinc/58/78/28/873587828.db2.gz QAIQGZVHCZXKHT-MWDXBVQZSA-N 2 0 353.511 0.160 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2)CC1 ZINC001333177615 873839159 /nfs/dbraw/zinc/83/91/59/873839159.db2.gz FTPOVHLYPCYOTQ-CVEARBPZSA-N 2 0 359.536 0.719 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574925852 948979693 /nfs/dbraw/zinc/97/96/93/948979693.db2.gz FKYVOTWZHNYBEB-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926238 948990797 /nfs/dbraw/zinc/99/07/97/948990797.db2.gz LOXIDNVLKZUCTL-QWHCGFSZSA-N 2 0 358.450 0.190 20 0 FCADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575252390 949163917 /nfs/dbraw/zinc/16/39/17/949163917.db2.gz GCECEPTYHUBRHI-NWDGAFQWSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574704056 949364924 /nfs/dbraw/zinc/36/49/24/949364924.db2.gz JZZREAFJEKYYBE-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574714069 949617425 /nfs/dbraw/zinc/61/74/25/949617425.db2.gz ZZZHUMGIFPNVNM-DOMZBBRYSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574740264 950223005 /nfs/dbraw/zinc/22/30/05/950223005.db2.gz DBASHEBUUMPXNL-IHRRRGAJSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C(C)C ZINC001574159618 950313071 /nfs/dbraw/zinc/31/30/71/950313071.db2.gz WSHDSVIVTFYIOU-CQSZACIVSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576197961 950395869 /nfs/dbraw/zinc/39/58/69/950395869.db2.gz QDKRFQRRHFCFSP-ZDUSSCGKSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576205000 950488116 /nfs/dbraw/zinc/48/81/16/950488116.db2.gz FNHQLHORXIEXEQ-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576209235 950626523 /nfs/dbraw/zinc/62/65/23/950626523.db2.gz ZSPAFPUMPKBQOL-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063299 951964016 /nfs/dbraw/zinc/96/40/16/951964016.db2.gz KGAOHPHUGRYFKH-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077954 952124279 /nfs/dbraw/zinc/12/42/79/952124279.db2.gz JTIQBQVBTSYRIM-CQSZACIVSA-N 2 0 370.461 0.348 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571102700 952349724 /nfs/dbraw/zinc/34/97/24/952349724.db2.gz FGXSODPKLSIYJQ-BBRMVZONSA-N 2 0 372.477 0.591 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571105131 952390045 /nfs/dbraw/zinc/39/00/45/952390045.db2.gz IKRNJQWXCCTITR-DOMZBBRYSA-N 2 0 373.436 0.648 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000294312238 214238313 /nfs/dbraw/zinc/23/83/13/214238313.db2.gz SXWHGLQHEXTLLL-VQIMIIECSA-N 2 0 361.486 0.490 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1 ZINC000297265721 214389446 /nfs/dbraw/zinc/38/94/46/214389446.db2.gz PLTPGGSVKKRKGC-OAHLLOKOSA-N 2 0 360.462 0.124 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331466919 215001520 /nfs/dbraw/zinc/00/15/20/215001520.db2.gz VKKBATPNCCWSRO-JSRQGNBESA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC000331496452 215005205 /nfs/dbraw/zinc/00/52/05/215005205.db2.gz AWXPNMIVYOMERW-VQIMIIECSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331521101 215008998 /nfs/dbraw/zinc/00/89/98/215008998.db2.gz VWGOWVAQHYKSIK-GOEBONIOSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC[C@H]21 ZINC000331550763 215013668 /nfs/dbraw/zinc/01/36/68/215013668.db2.gz JGTFFAHAWXLZNJ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000331581963 215018323 /nfs/dbraw/zinc/01/83/23/215018323.db2.gz FUBDMSVYUDQTNJ-BFYDXBDKSA-N 2 0 366.506 0.284 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000331620158 215023968 /nfs/dbraw/zinc/02/39/68/215023968.db2.gz FFAFUEIXICXYAN-IXDOHACOSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331625457 215025813 /nfs/dbraw/zinc/02/58/13/215025813.db2.gz KOUHTLVOVXQOPV-CPUCHLNUSA-N 2 0 354.520 0.235 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331839192 215053784 /nfs/dbraw/zinc/05/37/84/215053784.db2.gz UBGGYZUOMPKEDD-YESZJQIVSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000331841843 215054983 /nfs/dbraw/zinc/05/49/83/215054983.db2.gz BQDTUPCKHIEJBZ-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000331841840 215055385 /nfs/dbraw/zinc/05/53/85/215055385.db2.gz BQDTUPCKHIEJBZ-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000331852798 215056198 /nfs/dbraw/zinc/05/61/98/215056198.db2.gz WQKJZMOQEYEOIJ-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000331877605 215060381 /nfs/dbraw/zinc/06/03/81/215060381.db2.gz ONRYBWDTTZEPOV-AQFXKWCLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)([NH+](C)C)C1 ZINC000331886216 215061666 /nfs/dbraw/zinc/06/16/66/215061666.db2.gz CZJCOOFYFKXXPO-NNFUDEMPSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331945274 215070308 /nfs/dbraw/zinc/07/03/08/215070308.db2.gz HBZFBAWUOVAGDS-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCCC1 ZINC000332007564 215078585 /nfs/dbraw/zinc/07/85/85/215078585.db2.gz XBEGISNPQLYQAX-HRCADAONSA-N 2 0 350.507 0.953 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000332063679 215086445 /nfs/dbraw/zinc/08/64/45/215086445.db2.gz RMYLHOSIMNXSBV-DZGCQCFKSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000332096855 215092192 /nfs/dbraw/zinc/09/21/92/215092192.db2.gz AWPVXRYRMAYSAS-AQFXKWCLSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000264885473 210006974 /nfs/dbraw/zinc/00/69/74/210006974.db2.gz IVHUQOUJKWQUAX-UHFFFAOYSA-N 2 0 364.490 0.896 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000332246267 215115485 /nfs/dbraw/zinc/11/54/85/215115485.db2.gz AYCHSUYXBXXCBZ-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332268042 215119146 /nfs/dbraw/zinc/11/91/46/215119146.db2.gz GAMVFWLADYKAHE-UXLLHSPISA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000332420119 215149052 /nfs/dbraw/zinc/14/90/52/215149052.db2.gz BQCDNDVIOXUJEN-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332507658 215163596 /nfs/dbraw/zinc/16/35/96/215163596.db2.gz TWRYVEVLHUJRQA-WBVHZDCISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC1 ZINC000333300275 215261055 /nfs/dbraw/zinc/26/10/55/215261055.db2.gz BTPWQJBPTZTVBW-HNNXBMFYSA-N 2 0 351.495 0.419 20 0 FCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406131 215276768 /nfs/dbraw/zinc/27/67/68/215276768.db2.gz ZICGCLIMXDCUBJ-HOTGVXAUSA-N 2 0 359.478 0.977 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501143 215290392 /nfs/dbraw/zinc/29/03/92/215290392.db2.gz FLFOUBPFLITMLL-RDBSUJKOSA-N 2 0 363.428 0.701 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333546674 215295543 /nfs/dbraw/zinc/29/55/43/215295543.db2.gz OQUGYWWLFCSSOW-IXDOHACOSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@@H](C)O1 ZINC000333594563 215300061 /nfs/dbraw/zinc/30/00/61/215300061.db2.gz VQGIWXFKFAHIHB-JFIYKMOQSA-N 2 0 368.522 0.896 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333639932 215303094 /nfs/dbraw/zinc/30/30/94/215303094.db2.gz UHDCRUCEWWLAAV-LJQANCHMSA-N 2 0 372.517 0.987 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC000333648587 215304823 /nfs/dbraw/zinc/30/48/23/215304823.db2.gz JKULQOZGKUIDIL-UHFFFAOYSA-N 2 0 366.554 0.092 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333653363 215304983 /nfs/dbraw/zinc/30/49/83/215304983.db2.gz KEYFOSOIANRTHL-ZDUSSCGKSA-N 2 0 351.417 0.560 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644636 215305376 /nfs/dbraw/zinc/30/53/76/215305376.db2.gz XXOVHPKISNXSOQ-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333669705 215307677 /nfs/dbraw/zinc/30/76/77/215307677.db2.gz MWQRDVKGKASGDA-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832983 215322644 /nfs/dbraw/zinc/32/26/44/215322644.db2.gz MUNGXRQFCXCDOE-QZTJIDSGSA-N 2 0 367.538 0.422 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333882537 215327654 /nfs/dbraw/zinc/32/76/54/215327654.db2.gz WMPXLXOZVPZMDW-JZXOWHBKSA-N 2 0 365.522 0.757 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000333929064 215332278 /nfs/dbraw/zinc/33/22/78/215332278.db2.gz XZDHJVDAPZTVBF-KRWDZBQOSA-N 2 0 365.522 0.713 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333945495 215333629 /nfs/dbraw/zinc/33/36/29/215333629.db2.gz SXLRMVJYKSYUTM-XHSDSOJGSA-N 2 0 351.495 0.370 20 0 FCADRP C[NH+](C)[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334111687 215345334 /nfs/dbraw/zinc/34/53/34/215345334.db2.gz CJZAJOXOUDNSLQ-INIZCTEOSA-N 2 0 353.511 0.129 20 0 FCADRP Cc1nccn1CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000285552699 213358051 /nfs/dbraw/zinc/35/80/51/213358051.db2.gz IQZLMTSVJZCBTL-MRXNPFEDSA-N 2 0 365.478 0.171 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1)[N@H+](C)C1CC1 ZINC000285548144 213356731 /nfs/dbraw/zinc/35/67/31/213356731.db2.gz IIHPYPXNSPFKLN-AWEZNQCLSA-N 2 0 359.474 0.897 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285260562 213311381 /nfs/dbraw/zinc/31/13/81/213311381.db2.gz YSKMWVUTQYZQHB-UHFFFAOYSA-N 2 0 352.504 0.849 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000285078114 213280074 /nfs/dbraw/zinc/28/00/74/213280074.db2.gz PGCJUCSKSABECQ-RDJZCZTQSA-N 2 0 358.486 0.976 20 0 FCADRP Cc1ccn2cc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000285084415 213279682 /nfs/dbraw/zinc/27/96/82/213279682.db2.gz JSLHNXKQAZYFND-CQSZACIVSA-N 2 0 355.442 0.859 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000284722898 213204894 /nfs/dbraw/zinc/20/48/94/213204894.db2.gz YJVIFVBDBVQHDC-UHFFFAOYSA-N 2 0 360.502 0.960 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000284651802 213190491 /nfs/dbraw/zinc/19/04/91/213190491.db2.gz ZWMJUVCULCGCPW-AWEZNQCLSA-N 2 0 370.519 0.552 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284137836 213083075 /nfs/dbraw/zinc/08/30/75/213083075.db2.gz DMLDUAGETINGGO-IRXDYDNUSA-N 2 0 362.474 0.913 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000283918166 213034984 /nfs/dbraw/zinc/03/49/84/213034984.db2.gz DYWNTADLBIURGX-HNNXBMFYSA-N 2 0 373.501 0.761 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000283899843 213031287 /nfs/dbraw/zinc/03/12/87/213031287.db2.gz DCAJASFKHVMTPP-CQSZACIVSA-N 2 0 370.519 0.552 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000283899837 213030695 /nfs/dbraw/zinc/03/06/95/213030695.db2.gz DCAJASFKHVMTPP-AWEZNQCLSA-N 2 0 370.519 0.552 20 0 FCADRP COC[C@@H]1C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2COC)c1 ZINC000411909287 237101687 /nfs/dbraw/zinc/10/16/87/237101687.db2.gz JSARCUNJYORZMY-MUGJNUQGSA-N 2 0 364.486 0.850 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413189847 237294669 /nfs/dbraw/zinc/29/46/69/237294669.db2.gz JAHXWGLLEQJRCD-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367050147 216068412 /nfs/dbraw/zinc/06/84/12/216068412.db2.gz MNLXUIWZRICJBL-GOSISDBHSA-N 2 0 372.579 0.902 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000262338374 209571195 /nfs/dbraw/zinc/57/11/95/209571195.db2.gz FVXZYMBFBQRPNZ-JKSUJKDBSA-N 2 0 365.474 0.755 20 0 FCADRP CC(C)Nc1nc(NCCO)nc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000367714732 216154113 /nfs/dbraw/zinc/15/41/13/216154113.db2.gz DTEBYEYNVYJCGG-UHFFFAOYSA-N 2 0 363.510 0.395 20 0 FCADRP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1cnc(N(C)C)n1C ZINC000367760586 216157535 /nfs/dbraw/zinc/15/75/35/216157535.db2.gz KZVKTWQTBMAZCU-KGLIPLIRSA-N 2 0 350.467 0.491 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000246768453 209398298 /nfs/dbraw/zinc/39/82/98/209398298.db2.gz HZRHPKAUHSWLHJ-GVDBMIGSSA-N 2 0 365.522 0.807 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617140 209392240 /nfs/dbraw/zinc/39/22/40/209392240.db2.gz MFFODABXOFVUIK-ZWKOTPCHSA-N 2 0 368.522 0.851 20 0 FCADRP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC)CC1=O ZINC000246479876 209391114 /nfs/dbraw/zinc/39/11/14/209391114.db2.gz RMJQXJFLIUROLR-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]CCCC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000237183385 209349192 /nfs/dbraw/zinc/34/91/92/209349192.db2.gz KLWOVRGHCYQUMO-UHFFFAOYSA-N 2 0 368.503 0.239 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000195142250 209332950 /nfs/dbraw/zinc/33/29/50/209332950.db2.gz NMMOGKMBIIAFOD-UHFFFAOYSA-N 2 0 368.522 0.851 20 0 FCADRP C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000368368476 216239398 /nfs/dbraw/zinc/23/93/98/216239398.db2.gz AVMCSMPLNRQNQG-NNZMDNLPSA-N 2 0 364.534 0.977 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000368980952 216328333 /nfs/dbraw/zinc/32/83/33/216328333.db2.gz NKPNEADFOPDXNC-ZWKOTPCHSA-N 2 0 368.522 0.728 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000369025477 216332493 /nfs/dbraw/zinc/33/24/93/216332493.db2.gz DUHVLJXTNAENJD-BBWFWOEESA-N 2 0 354.495 0.506 20 0 FCADRP CN1CCN(S(=O)(=O)N2CCN(C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000190377357 209271227 /nfs/dbraw/zinc/27/12/27/209271227.db2.gz UGLHNBWOOMTPTE-QGZVFWFLSA-N 2 0 374.551 0.037 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369392305 216393584 /nfs/dbraw/zinc/39/35/84/216393584.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C[N@H+](CCCN1C(=O)CNC1=O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188320359 209229409 /nfs/dbraw/zinc/22/94/09/209229409.db2.gz PPDMDKJFROZORP-LJQANCHMSA-N 2 0 360.458 0.497 20 0 FCADRP CCCNC(=O)NC(=O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188282908 209228781 /nfs/dbraw/zinc/22/87/81/209228781.db2.gz RGZYLDSEVFGANJ-LJQANCHMSA-N 2 0 362.474 0.791 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCN1CCCOCC1 ZINC000188163442 209224587 /nfs/dbraw/zinc/22/45/87/209224587.db2.gz CUJYWRIBTXUNIC-UHFFFAOYSA-N 2 0 362.474 0.834 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)C1 ZINC000187951449 209221443 /nfs/dbraw/zinc/22/14/43/209221443.db2.gz JMIMOEPBDSZEFY-RRFJBIMHSA-N 2 0 353.488 0.957 20 0 FCADRP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487150 674117279 /nfs/dbraw/zinc/11/72/79/674117279.db2.gz UBHRCSZBFQCDQZ-KRWDZBQOSA-N 2 0 352.475 0.961 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[NH+](C)C ZINC000414685531 245310986 /nfs/dbraw/zinc/31/09/86/245310986.db2.gz ZOCSGAMQHOTZLR-GDBMZVCRSA-N 2 0 361.490 0.929 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414675256 245312521 /nfs/dbraw/zinc/31/25/21/245312521.db2.gz FNAJPRSRXXGWJV-GJZGRUSLSA-N 2 0 362.474 0.960 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000414708205 245316281 /nfs/dbraw/zinc/31/62/81/245316281.db2.gz PXWDCIKDEYAFGD-UHFFFAOYSA-N 2 0 360.458 0.955 20 0 FCADRP C[C@@H]1C[C@H](C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752411 245316771 /nfs/dbraw/zinc/31/67/71/245316771.db2.gz BVRJUZGSPVMWQV-VXGBXAGGSA-N 2 0 372.457 0.825 20 0 FCADRP C[C@H]1C[C@H](C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752407 245317400 /nfs/dbraw/zinc/31/74/00/245317400.db2.gz BVRJUZGSPVMWQV-NWDGAFQWSA-N 2 0 372.457 0.825 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000414854937 245324105 /nfs/dbraw/zinc/32/41/05/245324105.db2.gz MHBRZQBCZLBIQH-MRXNPFEDSA-N 2 0 362.474 0.554 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000414859189 245325159 /nfs/dbraw/zinc/32/51/59/245325159.db2.gz SYLKCAQIXYIDTR-KRWDZBQOSA-N 2 0 362.474 0.554 20 0 FCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000414876674 245329646 /nfs/dbraw/zinc/32/96/46/245329646.db2.gz WDXLWHFAHXXXIR-HNNXBMFYSA-N 2 0 360.458 0.907 20 0 FCADRP COc1cc(CNC[C@H]([NH3+])C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000414883116 245330058 /nfs/dbraw/zinc/33/00/58/245330058.db2.gz CPLVTPGPIFYSIK-INIZCTEOSA-N 2 0 363.458 0.760 20 0 FCADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c(OC)c1 ZINC000414868967 245330128 /nfs/dbraw/zinc/33/01/28/245330128.db2.gz QNGHYBZBIWXCBN-CQSZACIVSA-N 2 0 350.463 0.916 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415244210 245367703 /nfs/dbraw/zinc/36/77/03/245367703.db2.gz MOTCHHFILZQVFC-LJQANCHMSA-N 2 0 360.458 0.907 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)c(C)c2)CC1 ZINC000415293864 245380282 /nfs/dbraw/zinc/38/02/82/245380282.db2.gz DXNXHJYUEZCVMU-MRXNPFEDSA-N 2 0 373.501 0.896 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000415305209 245381622 /nfs/dbraw/zinc/38/16/22/245381622.db2.gz IPQIJUMZVWDXKD-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000415328783 245388271 /nfs/dbraw/zinc/38/82/71/245388271.db2.gz PXVOXTCSKHSPER-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP COCC1(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]CC1 ZINC000373514520 217027002 /nfs/dbraw/zinc/02/70/02/217027002.db2.gz JNKLBWYLSFUPOM-UHFFFAOYSA-N 2 0 353.507 0.964 20 0 FCADRP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000374526135 217139131 /nfs/dbraw/zinc/13/91/31/217139131.db2.gz FJPVYDCHYAIBRR-QGZVFWFLSA-N 2 0 353.507 0.937 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC[NH3+])c(C)c2)CC1 ZINC000415558074 245435240 /nfs/dbraw/zinc/43/52/40/245435240.db2.gz FAUNKPVCISHNQN-UHFFFAOYSA-N 2 0 361.490 0.931 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000183289700 209144380 /nfs/dbraw/zinc/14/43/80/209144380.db2.gz PPLZHFCQYLUZLA-MRXNPFEDSA-N 2 0 353.488 0.645 20 0 FCADRP CCS(=O)(=O)NCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375236598 217238169 /nfs/dbraw/zinc/23/81/69/217238169.db2.gz GZNMOYWPOJLSAV-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP CN(C(=O)NCCN1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375382331 217257828 /nfs/dbraw/zinc/25/78/28/217257828.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745193 217307609 /nfs/dbraw/zinc/30/76/09/217307609.db2.gz PYFXRZYEMWKUGC-YYIAUSFCSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745191 217308279 /nfs/dbraw/zinc/30/82/79/217308279.db2.gz PYFXRZYEMWKUGC-YVSFHVDLSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000417154873 245675195 /nfs/dbraw/zinc/67/51/95/245675195.db2.gz LBUFTJJNZWWDCZ-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418422961 245784468 /nfs/dbraw/zinc/78/44/68/245784468.db2.gz BPNDACLFFRHLHN-ARFHVFGLSA-N 2 0 353.511 0.650 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000418854401 245868308 /nfs/dbraw/zinc/86/83/08/245868308.db2.gz TVEZSDYXSSOGKR-DLBZAZTESA-N 2 0 374.485 0.802 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418950142 245923782 /nfs/dbraw/zinc/92/37/82/245923782.db2.gz VTFGAOPIHCKIKU-FGTMMUONSA-N 2 0 358.486 0.739 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000419038252 245951247 /nfs/dbraw/zinc/95/12/47/245951247.db2.gz FCOLCNKKKLQDOY-INIZCTEOSA-N 2 0 356.511 0.482 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419129469 246004055 /nfs/dbraw/zinc/00/40/55/246004055.db2.gz DDWDLXUKVUJWRN-GHTZIAJQSA-N 2 0 370.497 0.979 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000419129136 246004782 /nfs/dbraw/zinc/00/47/82/246004782.db2.gz CRWBKFBDITZBQT-INIZCTEOSA-N 2 0 364.515 0.930 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419130073 246005366 /nfs/dbraw/zinc/00/53/66/246005366.db2.gz BZUWQMWMRKUBBB-SJORKVTESA-N 2 0 361.490 0.667 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419155832 246021190 /nfs/dbraw/zinc/02/11/90/246021190.db2.gz RYRJHTMBUCLZCA-SJORKVTESA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419135151 246009207 /nfs/dbraw/zinc/00/92/07/246009207.db2.gz KSKCWRLRLFLACX-XLAORIBOSA-N 2 0 358.486 0.929 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419139921 246011830 /nfs/dbraw/zinc/01/18/30/246011830.db2.gz VCWHNIOPIJXKAF-AWEZNQCLSA-N 2 0 350.488 0.636 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419162675 246025800 /nfs/dbraw/zinc/02/58/00/246025800.db2.gz HRXUFQVIFBUYAL-DOTOQJQBSA-N 2 0 362.474 0.105 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419141830 246012512 /nfs/dbraw/zinc/01/25/12/246012512.db2.gz XLDOWXPPINRXCU-ZDUSSCGKSA-N 2 0 352.504 0.930 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419140869 246012913 /nfs/dbraw/zinc/01/29/13/246012913.db2.gz WMLUDZMZTSFZBR-FHWLQOOXSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419140782 246013481 /nfs/dbraw/zinc/01/34/81/246013481.db2.gz WCRYCHNVBNUPRX-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419150168 246016769 /nfs/dbraw/zinc/01/67/69/246016769.db2.gz LYWCXEIBIOTEGO-UHFFFAOYSA-N 2 0 364.490 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419149039 246018003 /nfs/dbraw/zinc/01/80/03/246018003.db2.gz DTCTZQBZHQUISG-ZHALLVOQSA-N 2 0 372.513 0.876 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419168453 246030335 /nfs/dbraw/zinc/03/03/35/246030335.db2.gz SHONQCRICQIKTJ-QZTJIDSGSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166927 246031122 /nfs/dbraw/zinc/03/11/22/246031122.db2.gz ICLRPPBDAHTIFL-QRQLOZEOSA-N 2 0 372.513 0.863 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419171573 246031837 /nfs/dbraw/zinc/03/18/37/246031837.db2.gz PGDUSAGDPUQNFG-QZTJIDSGSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419196451 246046484 /nfs/dbraw/zinc/04/64/84/246046484.db2.gz BAUMBNBGODEFPL-HOCLYGCPSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419178121 246036462 /nfs/dbraw/zinc/03/64/62/246036462.db2.gz SSRWMJMDOZXKEZ-OAHLLOKOSA-N 2 0 373.501 0.934 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@H]1C[NH3+] ZINC000419185114 246040913 /nfs/dbraw/zinc/04/09/13/246040913.db2.gz GVBBFCSACLYZEO-YJBOKZPZSA-N 2 0 373.501 0.748 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000419186937 246042129 /nfs/dbraw/zinc/04/21/29/246042129.db2.gz FLFHWUXTGRZAOR-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419190019 246043172 /nfs/dbraw/zinc/04/31/72/246043172.db2.gz MEPRVUPHNKKRPT-GJZGRUSLSA-N 2 0 359.474 0.371 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000419192614 246044660 /nfs/dbraw/zinc/04/46/60/246044660.db2.gz PMSQIVINKDATAK-UHFFFAOYSA-N 2 0 373.501 0.940 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419191402 246044724 /nfs/dbraw/zinc/04/47/24/246044724.db2.gz OBZIJDZSRRBYSL-MRXNPFEDSA-N 2 0 358.486 0.896 20 0 FCADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000419194205 246045861 /nfs/dbraw/zinc/04/58/61/246045861.db2.gz VVWLIZHJUXBGOR-RBUKOAKNSA-N 2 0 366.465 0.846 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212215 246056089 /nfs/dbraw/zinc/05/60/89/246056089.db2.gz UJJPLBQTTPPXTI-ROUUACIJSA-N 2 0 374.485 0.262 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419215760 246058875 /nfs/dbraw/zinc/05/88/75/246058875.db2.gz ZEJAPBGFNRKBAH-QGZVFWFLSA-N 2 0 362.474 0.119 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419215368 246059677 /nfs/dbraw/zinc/05/96/77/246059677.db2.gz YUASMRWFYNKRHV-GUDVDZBRSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000419220643 246061994 /nfs/dbraw/zinc/06/19/94/246061994.db2.gz VEJHMRZHVUXSIB-PBHICJAKSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225459 246063856 /nfs/dbraw/zinc/06/38/56/246063856.db2.gz HBQNBHJRRBVQDW-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419198596 246047875 /nfs/dbraw/zinc/04/78/75/246047875.db2.gz CTDKDLVCSWEMHT-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419199025 246048084 /nfs/dbraw/zinc/04/80/84/246048084.db2.gz DIVGMUVTTOLRRN-HOCLYGCPSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@@H](C)O1 ZINC000419202968 246050168 /nfs/dbraw/zinc/05/01/68/246050168.db2.gz HEKXSWDRKBZQDF-HUUCEWRRSA-N 2 0 362.474 0.329 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000419201814 246050406 /nfs/dbraw/zinc/05/04/06/246050406.db2.gz GNWHILYZNCMGIJ-JKSUJKDBSA-N 2 0 362.474 0.629 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419229041 246068671 /nfs/dbraw/zinc/06/86/71/246068671.db2.gz NKGITDKDSVNDPQ-JZXOWHBKSA-N 2 0 360.502 0.985 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419243678 246074091 /nfs/dbraw/zinc/07/40/91/246074091.db2.gz SVRZCUORZMNSPK-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000419268519 246081463 /nfs/dbraw/zinc/08/14/63/246081463.db2.gz MTYZVVVYVWKFCI-SFHVURJKSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C[NH3+] ZINC000419347723 246109484 /nfs/dbraw/zinc/10/94/84/246109484.db2.gz XHGQZWVVFKJAMZ-QAPCUYQASA-N 2 0 373.501 0.748 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419371678 246122661 /nfs/dbraw/zinc/12/26/61/246122661.db2.gz JJASVQJCQYLMHZ-QAPCUYQASA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)Cc2ccccc2C1 ZINC000419376668 246124626 /nfs/dbraw/zinc/12/46/26/246124626.db2.gz SLHNSCITGXKAHV-LJQANCHMSA-N 2 0 358.486 0.399 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419388384 246129152 /nfs/dbraw/zinc/12/91/52/246129152.db2.gz DMWZQICOOHHOMT-OWYHZJEWSA-N 2 0 370.497 0.691 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412588 246146516 /nfs/dbraw/zinc/14/65/16/246146516.db2.gz DMFGQSBOTAKRBC-MSOLQXFVSA-N 2 0 373.501 0.041 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419412380 246147888 /nfs/dbraw/zinc/14/78/88/246147888.db2.gz RCKSTUVHEKXMGC-YJBOKZPZSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419417014 246149447 /nfs/dbraw/zinc/14/94/47/246149447.db2.gz HPDNJROOKNSWIJ-MDZRGWNJSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419393637 246131864 /nfs/dbraw/zinc/13/18/64/246131864.db2.gz NLHDJKMKIUGIOV-KRWDZBQOSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000419416474 246150408 /nfs/dbraw/zinc/15/04/08/246150408.db2.gz WCICNNMMXMRLFM-FRFSOERESA-N 2 0 364.465 0.988 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399160 246134710 /nfs/dbraw/zinc/13/47/10/246134710.db2.gz JBWGKGFUWGEBDN-XYJFISCASA-N 2 0 360.502 0.985 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401522 246138210 /nfs/dbraw/zinc/13/82/10/246138210.db2.gz OVWSTRHODAQBDI-XYVMCAHJSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419405890 246138494 /nfs/dbraw/zinc/13/84/94/246138494.db2.gz ICCNZIVAOFBVAM-DVOMOZLQSA-N 2 0 350.438 0.740 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419406876 246138976 /nfs/dbraw/zinc/13/89/76/246138976.db2.gz JOBGPACMHLHCDP-HOTGVXAUSA-N 2 0 350.507 0.897 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000419405899 246139276 /nfs/dbraw/zinc/13/92/76/246139276.db2.gz ICPQMUYJNAWLFZ-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409503 246142035 /nfs/dbraw/zinc/14/20/35/246142035.db2.gz FDAUSJPMFZWNLA-FGTMMUONSA-N 2 0 374.485 0.260 20 0 FCADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419410579 246143823 /nfs/dbraw/zinc/14/38/23/246143823.db2.gz APWZISIYATYQFV-FGTMMUONSA-N 2 0 356.470 0.618 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419411495 246144470 /nfs/dbraw/zinc/14/44/70/246144470.db2.gz PWKIUWPIXZNSFK-HZPDHXFCSA-N 2 0 350.438 0.755 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419423929 246157508 /nfs/dbraw/zinc/15/75/08/246157508.db2.gz NRSKOPPPTWFCBI-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419427614 246160275 /nfs/dbraw/zinc/16/02/75/246160275.db2.gz RYWDNNXYERXROL-MRXNPFEDSA-N 2 0 358.486 0.619 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419525834 246193261 /nfs/dbraw/zinc/19/32/61/246193261.db2.gz DPCYWXISFBMLPW-NJAFHUGGSA-N 2 0 358.486 0.834 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419523156 246189657 /nfs/dbraw/zinc/18/96/57/246189657.db2.gz AGCDWUXAFCZXQU-DLBZAZTESA-N 2 0 362.474 0.372 20 0 FCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470506 246172841 /nfs/dbraw/zinc/17/28/41/246172841.db2.gz FLRXDFROEZVNAS-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419475856 246177154 /nfs/dbraw/zinc/17/71/54/246177154.db2.gz FNNWHGZHEBEGQM-ULQDDVLXSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419525110 246193769 /nfs/dbraw/zinc/19/37/69/246193769.db2.gz CVTDEAFUZJUXAK-ATLSCFEFSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536878 246195411 /nfs/dbraw/zinc/19/54/11/246195411.db2.gz VAKBGFUFHBHHMP-JOCBIADPSA-N 2 0 358.486 0.880 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533702 246195559 /nfs/dbraw/zinc/19/55/59/246195559.db2.gz PAXNCTVFWOJWBV-HPBDAGMYSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000419558773 246201173 /nfs/dbraw/zinc/20/11/73/246201173.db2.gz OGUMXSKVGQRJNU-ZFVVBOAOSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419659013 246232817 /nfs/dbraw/zinc/23/28/17/246232817.db2.gz ZNPXLJBAFBPMNH-BHYGNILZSA-N 2 0 358.486 0.910 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000419656894 246232926 /nfs/dbraw/zinc/23/29/26/246232926.db2.gz VHQREIMDFJEFEA-ZBFHGGJFSA-N 2 0 362.474 0.337 20 0 FCADRP O=C(NCc1ccc(Cn2ccnc2)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419627482 246223018 /nfs/dbraw/zinc/22/30/18/246223018.db2.gz DVSKALJMPMGKMZ-HDICACEKSA-N 2 0 367.453 0.901 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419653484 246231340 /nfs/dbraw/zinc/23/13/40/246231340.db2.gz QWMHQNOCULAUTB-GDBMZVCRSA-N 2 0 362.474 0.418 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717421 246268361 /nfs/dbraw/zinc/26/83/61/246268361.db2.gz BFQYTZXSMLNYDG-YPMHNXCESA-N 2 0 354.495 0.641 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCC1 ZINC000419670946 246238678 /nfs/dbraw/zinc/23/86/78/246238678.db2.gz XPXMJVFIHMAEIL-BZUAXINKSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419687803 246249776 /nfs/dbraw/zinc/24/97/76/246249776.db2.gz QBQXQTLGJOYJDK-HOTGVXAUSA-N 2 0 366.506 0.476 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419689443 246251729 /nfs/dbraw/zinc/25/17/29/246251729.db2.gz ITIGSYLRSLWGIG-AWEZNQCLSA-N 2 0 354.520 0.332 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000419688983 246252070 /nfs/dbraw/zinc/25/20/70/246252070.db2.gz SHPLFTQHJAGONY-HOTGVXAUSA-N 2 0 366.506 0.191 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419697267 246254410 /nfs/dbraw/zinc/25/44/10/246254410.db2.gz WEQYREZXKYKPKQ-HUUCEWRRSA-N 2 0 368.547 0.708 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419709932 246263422 /nfs/dbraw/zinc/26/34/22/246263422.db2.gz PMMRHOQEJBCWSF-BPQIPLTHSA-N 2 0 374.485 0.260 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000419711933 246264045 /nfs/dbraw/zinc/26/40/45/246264045.db2.gz OFESVEXVAKRILA-SFHVURJKSA-N 2 0 360.502 0.865 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419755546 246285968 /nfs/dbraw/zinc/28/59/68/246285968.db2.gz DJQSWCZHNHHEAQ-JKSUJKDBSA-N 2 0 362.449 0.442 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778324 246292858 /nfs/dbraw/zinc/29/28/58/246292858.db2.gz OQKWYAJTTJJKOL-WFASDCNBSA-N 2 0 352.479 0.206 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419804078 246300682 /nfs/dbraw/zinc/30/06/82/246300682.db2.gz FSKSHRRRECSEHP-BRSBDYLESA-N 2 0 358.486 0.910 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813861 246303319 /nfs/dbraw/zinc/30/33/19/246303319.db2.gz JTCVGIQVWPANTH-KBPBESRZSA-N 2 0 354.495 0.596 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CCO1 ZINC000419810525 246303478 /nfs/dbraw/zinc/30/34/78/246303478.db2.gz XELIQOYZOZUEHT-OAHLLOKOSA-N 2 0 366.506 0.476 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000419725982 246272352 /nfs/dbraw/zinc/27/23/52/246272352.db2.gz TUMBXNYPAJWRRP-UHFFFAOYSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419728788 246274960 /nfs/dbraw/zinc/27/49/60/246274960.db2.gz YWHUBKDXLNRVBC-CALCHBBNSA-N 2 0 356.470 0.445 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)CC[NH3+])CCCC2)CC1 ZINC000419745939 246279657 /nfs/dbraw/zinc/27/96/57/246279657.db2.gz BERFYIIQUVOXFV-CQSZACIVSA-N 2 0 354.495 0.380 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419874962 246340859 /nfs/dbraw/zinc/34/08/59/246340859.db2.gz OAEGYMQVPBSSOP-FQEVSTJZSA-N 2 0 358.486 0.837 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419828979 246309808 /nfs/dbraw/zinc/30/98/08/246309808.db2.gz UTZFYDQLXZHQHY-ZWKOTPCHSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000419834967 246312658 /nfs/dbraw/zinc/31/26/58/246312658.db2.gz UPKRTULMHXGMSD-DOTOQJQBSA-N 2 0 367.538 0.010 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419851950 246322167 /nfs/dbraw/zinc/32/21/67/246322167.db2.gz BUBHQNXKEPEXHM-AWEZNQCLSA-N 2 0 352.504 0.754 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862626 246332151 /nfs/dbraw/zinc/33/21/51/246332151.db2.gz MYQSQFNRTPQFBB-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419879204 246346783 /nfs/dbraw/zinc/34/67/83/246346783.db2.gz RFCOLOASIDHTRH-IRXDYDNUSA-N 2 0 374.485 0.726 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419881672 246347721 /nfs/dbraw/zinc/34/77/21/246347721.db2.gz IATZVVRSGQUFOV-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419889299 246352992 /nfs/dbraw/zinc/35/29/92/246352992.db2.gz SAJFCZSHKBYDLG-RXVVDRJESA-N 2 0 370.497 0.979 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000419891768 246354672 /nfs/dbraw/zinc/35/46/72/246354672.db2.gz NMZUDJRVBXRHMG-ULQDDVLXSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419905083 246361592 /nfs/dbraw/zinc/36/15/92/246361592.db2.gz UPJFWOUYHPOVPW-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419943794 246380203 /nfs/dbraw/zinc/38/02/03/246380203.db2.gz HUDLVBIHRVODDL-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000419961516 246391795 /nfs/dbraw/zinc/39/17/95/246391795.db2.gz XHMUNXFIWPETNI-IRXDYDNUSA-N 2 0 352.523 0.929 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)o1 ZINC000419978848 246398776 /nfs/dbraw/zinc/39/87/76/246398776.db2.gz OLDMTHOYCNXAHZ-INIZCTEOSA-N 2 0 364.490 0.984 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)o1 ZINC000419978850 246399035 /nfs/dbraw/zinc/39/90/35/246399035.db2.gz OLDMTHOYCNXAHZ-MRXNPFEDSA-N 2 0 364.490 0.984 20 0 FCADRP C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201018 246976768 /nfs/dbraw/zinc/97/67/68/246976768.db2.gz GYVXYMGKWSTZKV-HOCLYGCPSA-N 2 0 354.520 0.929 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423361997 247011704 /nfs/dbraw/zinc/01/17/04/247011704.db2.gz HKTMZGOLRXCUFI-SFHVURJKSA-N 2 0 364.515 0.850 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423372228 247012901 /nfs/dbraw/zinc/01/29/01/247012901.db2.gz ICMYISNCWFOIHL-FUHWJXTLSA-N 2 0 374.485 0.296 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000423375613 247015080 /nfs/dbraw/zinc/01/50/80/247015080.db2.gz UJDXXEFBZBJTAX-HUUCEWRRSA-N 2 0 350.463 0.613 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423376627 247016500 /nfs/dbraw/zinc/01/65/00/247016500.db2.gz YGXYKWIUKOLBMT-SFHVURJKSA-N 2 0 362.522 0.811 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423380238 247016535 /nfs/dbraw/zinc/01/65/35/247016535.db2.gz NKVGCPWIQGYXLU-SJORKVTESA-N 2 0 358.486 0.930 20 0 FCADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398563 247020623 /nfs/dbraw/zinc/02/06/23/247020623.db2.gz VOXFKDUERJSMNW-UPJWGTAASA-N 2 0 357.442 0.768 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423414703 247021911 /nfs/dbraw/zinc/02/19/11/247021911.db2.gz NNSOQHRPLYWEGS-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423416067 247022348 /nfs/dbraw/zinc/02/23/48/247022348.db2.gz QAGLXSUBNSOZDM-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423305723 247000597 /nfs/dbraw/zinc/00/05/97/247000597.db2.gz CKZWTKZZLBRDOG-KRWDZBQOSA-N 2 0 368.522 0.389 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530548 247045039 /nfs/dbraw/zinc/04/50/39/247045039.db2.gz PPSHROWYMNRVNV-DLBZAZTESA-N 2 0 367.538 0.199 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423584684 247063836 /nfs/dbraw/zinc/06/38/36/247063836.db2.gz PQDMAQWTGMCHTN-ZWKOTPCHSA-N 2 0 358.486 0.929 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC000423596096 247068359 /nfs/dbraw/zinc/06/83/59/247068359.db2.gz QXVYZKFIFBRLFX-UKRRQHHQSA-N 2 0 353.488 0.750 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@@H]1C[NH3+] ZINC000423437644 247027464 /nfs/dbraw/zinc/02/74/64/247027464.db2.gz GJVOKERQBBYOAJ-OIISXLGYSA-N 2 0 350.507 0.620 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423468019 247033591 /nfs/dbraw/zinc/03/35/91/247033591.db2.gz FBGKINSPAXYASL-LVCYWYKZSA-N 2 0 370.497 0.774 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423701166 247115170 /nfs/dbraw/zinc/11/51/70/247115170.db2.gz WBCZNSUEOVEGFL-JKSUJKDBSA-N 2 0 355.527 0.057 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423601121 247070519 /nfs/dbraw/zinc/07/05/19/247070519.db2.gz ZTDIEMVLBIXRMS-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000423608154 247072871 /nfs/dbraw/zinc/07/28/71/247072871.db2.gz KGBLJXXDGIWMLK-ZFWWWQNUSA-N 2 0 352.504 0.834 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000423615493 247076728 /nfs/dbraw/zinc/07/67/28/247076728.db2.gz RGEFFNXUPOMZHN-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC[NH2+]1 ZINC000423616388 247077768 /nfs/dbraw/zinc/07/77/68/247077768.db2.gz FOPZUYZUQVLJCG-KGLIPLIRSA-N 2 0 353.488 0.892 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423620059 247078559 /nfs/dbraw/zinc/07/85/59/247078559.db2.gz ZIMMGYVSRXACFV-GASCZTMLSA-N 2 0 350.488 0.316 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000423619182 247078914 /nfs/dbraw/zinc/07/89/14/247078914.db2.gz HZOKJOFNTWYXRC-JKSUJKDBSA-N 2 0 354.495 0.286 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639974 247087363 /nfs/dbraw/zinc/08/73/63/247087363.db2.gz VXDYEFBLSCONID-QWHCGFSZSA-N 2 0 352.401 0.048 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423651912 247094681 /nfs/dbraw/zinc/09/46/81/247094681.db2.gz WLTSFNCQKZMTEF-IPMKNSEASA-N 2 0 370.497 0.917 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656022 247097212 /nfs/dbraw/zinc/09/72/12/247097212.db2.gz TWHIFYRGHJYPRI-WZGPROSRSA-N 2 0 370.497 0.773 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)C2)C1 ZINC000423664872 247101935 /nfs/dbraw/zinc/10/19/35/247101935.db2.gz GYMPPRBGEHRGDI-HXUWFJFHSA-N 2 0 358.486 0.918 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000423745016 247138216 /nfs/dbraw/zinc/13/82/16/247138216.db2.gz NEYIJVZCJSILHP-DOTOQJQBSA-N 2 0 366.506 0.299 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423713820 247119828 /nfs/dbraw/zinc/11/98/28/247119828.db2.gz WNJLFGWXNRQRMG-SQNIBIBYSA-N 2 0 356.470 0.527 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423730382 247131378 /nfs/dbraw/zinc/13/13/78/247131378.db2.gz XWNPCGKWKPQHRQ-ARFHVFGLSA-N 2 0 368.522 0.530 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423734433 247133352 /nfs/dbraw/zinc/13/33/52/247133352.db2.gz QXWNHLWDLWSCLA-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@H]1C[NH3+] ZINC000423741231 247135127 /nfs/dbraw/zinc/13/51/27/247135127.db2.gz SPQXJEKLNXTKEC-IKGGRYGDSA-N 2 0 366.506 0.143 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000424330914 247197720 /nfs/dbraw/zinc/19/77/20/247197720.db2.gz ITNAJQQEJOUHMY-IAGOWNOFSA-N 2 0 352.523 0.997 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000424430605 247214206 /nfs/dbraw/zinc/21/42/06/247214206.db2.gz CPRVAQFWNMTTHQ-UHFFFAOYSA-N 2 0 363.506 0.965 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000424444568 247216985 /nfs/dbraw/zinc/21/69/85/247216985.db2.gz CPWIOPZDCIZOGW-OAHLLOKOSA-N 2 0 361.490 0.392 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000424444665 247217448 /nfs/dbraw/zinc/21/74/48/247217448.db2.gz DEAJUOHATUVJLH-KRWDZBQOSA-N 2 0 362.474 0.961 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424542991 247257279 /nfs/dbraw/zinc/25/72/79/247257279.db2.gz JCJYCDNDXPSARE-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC000424549325 247260434 /nfs/dbraw/zinc/26/04/34/247260434.db2.gz MBOZPKUDNCVKDP-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@@H]1C ZINC000425396794 247335554 /nfs/dbraw/zinc/33/55/54/247335554.db2.gz ZHYSHNSHOQTOBG-LUKYLMHMSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000428043056 247568032 /nfs/dbraw/zinc/56/80/32/247568032.db2.gz XAQLKCAUAWRTKH-MSOLQXFVSA-N 2 0 364.534 0.822 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000436321973 248039161 /nfs/dbraw/zinc/03/91/61/248039161.db2.gz LYZSTAQCNHHMOL-MRXNPFEDSA-N 2 0 358.527 0.831 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484972 248041553 /nfs/dbraw/zinc/04/15/53/248041553.db2.gz FCTWZJNHJMPFEA-AWEZNQCLSA-N 2 0 352.483 0.754 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000436060718 248030658 /nfs/dbraw/zinc/03/06/58/248030658.db2.gz FVPPWXBDKPTTAU-QGZVFWFLSA-N 2 0 365.522 0.049 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440982064 248229296 /nfs/dbraw/zinc/22/92/96/248229296.db2.gz PNBKXYLSYRKRJM-KRWDZBQOSA-N 2 0 368.570 0.338 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](CC[NH3+])C2)CC1=O ZINC000442618078 248293389 /nfs/dbraw/zinc/29/33/89/248293389.db2.gz NXHXBPXXHNTWBS-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763219 248295685 /nfs/dbraw/zinc/29/56/85/248295685.db2.gz IHDFQZCUEQKQQQ-IRXDYDNUSA-N 3 0 352.523 0.807 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443072477 248305803 /nfs/dbraw/zinc/30/58/03/248305803.db2.gz NNTPSEWKUUFCQM-HNNXBMFYSA-N 2 0 368.503 0.054 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000443234982 248313682 /nfs/dbraw/zinc/31/36/82/248313682.db2.gz SAWQLVPUFRCQJU-LSDHHAIUSA-N 2 0 355.527 0.849 20 0 FCADRP CCOC1CC(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)(N2CCOCC2)C1 ZINC000443872287 248343369 /nfs/dbraw/zinc/34/33/69/248343369.db2.gz ZMNYLHOBQJVATG-KLHKWILBSA-N 2 0 371.547 0.810 20 0 FCADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000444353837 248355823 /nfs/dbraw/zinc/35/58/23/248355823.db2.gz RXYNTKJNVTXUPE-MAUKXSAKSA-N 2 0 353.507 0.933 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)CSCC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000452971407 249338189 /nfs/dbraw/zinc/33/81/89/249338189.db2.gz HGEAHBAMLRAHGI-SYMSYNOKSA-N 2 0 366.531 0.045 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000271172745 211349259 /nfs/dbraw/zinc/34/92/59/211349259.db2.gz XOLUCDFFAMAZGR-MRXNPFEDSA-N 2 0 361.490 0.418 20 0 FCADRP Cn1cnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000271062971 211326870 /nfs/dbraw/zinc/32/68/70/211326870.db2.gz AMAIGFGWZZTVRE-UHFFFAOYSA-N 2 0 358.450 0.222 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271013232 211318197 /nfs/dbraw/zinc/31/81/97/211318197.db2.gz MYVWHBSAYVEIRH-FQEVSTJZSA-N 2 0 374.529 0.867 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058226 249845392 /nfs/dbraw/zinc/84/53/92/249845392.db2.gz QTVNETSFXLCAAZ-DOTOQJQBSA-N 2 0 366.506 0.251 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000270783808 211267067 /nfs/dbraw/zinc/26/70/67/211267067.db2.gz IAWWHRFOGVPMAZ-UHFFFAOYSA-N 2 0 371.507 0.075 20 0 FCADRP COC(=O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@H]1C ZINC000469999498 250018828 /nfs/dbraw/zinc/01/88/28/250018828.db2.gz LDBDLYQBUJYXJQ-SYMSYNOKSA-N 2 0 368.474 0.770 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000471470802 250103649 /nfs/dbraw/zinc/10/36/49/250103649.db2.gz JYJZLWSSUSWUES-OAGGEKHMSA-N 2 0 369.510 0.077 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472278277 250143853 /nfs/dbraw/zinc/14/38/53/250143853.db2.gz NZMDGJBDBIRIAN-GVDBMIGSSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930870 250298925 /nfs/dbraw/zinc/29/89/25/250298925.db2.gz IQRVRRKWEUAOKX-XHSDSOJGSA-N 2 0 356.511 0.163 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481700374 250350067 /nfs/dbraw/zinc/35/00/67/250350067.db2.gz ZBFNMTFLAHBVRB-SJLPKXTDSA-N 2 0 371.595 0.997 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000481769103 250357544 /nfs/dbraw/zinc/35/75/44/250357544.db2.gz JMOCNYNFEQQRFT-JYJNAYRXSA-N 2 0 354.495 0.060 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+](C)C1 ZINC000413298994 532996892 /nfs/dbraw/zinc/99/68/92/532996892.db2.gz LCBBVHOMUNYMDJ-HUUCEWRRSA-N 2 0 352.479 0.750 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000072985270 208045958 /nfs/dbraw/zinc/04/59/58/208045958.db2.gz KYQJPDIERNVIGH-OAHLLOKOSA-N 2 0 362.474 0.976 20 0 FCADRP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000093187954 208153270 /nfs/dbraw/zinc/15/32/70/208153270.db2.gz VXHBWEKKTSIEJG-ROUUACIJSA-N 2 0 366.550 0.972 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216233 208293495 /nfs/dbraw/zinc/29/34/95/208293495.db2.gz MFFODABXOFVUIK-QZTJIDSGSA-N 2 0 368.522 0.851 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000120780317 208390509 /nfs/dbraw/zinc/39/05/09/208390509.db2.gz YRGROOQQAJSFEV-MJGOQNOKSA-N 2 0 364.490 0.672 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000120947999 208393706 /nfs/dbraw/zinc/39/37/06/208393706.db2.gz XFMBELBAYPQTNW-IRXDYDNUSA-N 3 0 352.523 0.582 20 0 FCADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000412569821 533092145 /nfs/dbraw/zinc/09/21/45/533092145.db2.gz INCYNCJKWAPMHM-QGZVFWFLSA-N 2 0 362.474 0.964 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180045501 209090561 /nfs/dbraw/zinc/09/05/61/209090561.db2.gz RBYQAMFHSSUPNZ-UHFFFAOYSA-N 2 0 364.494 0.936 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000180046418 209090267 /nfs/dbraw/zinc/09/02/67/209090267.db2.gz JLAAGXPZEAMHTH-OAHLLOKOSA-N 2 0 362.478 0.689 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+](C)C1 ZINC000413483317 533479507 /nfs/dbraw/zinc/47/95/07/533479507.db2.gz AAPNEKUQEGLKGE-HOCLYGCPSA-N 2 0 352.479 0.750 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+](C)C1 ZINC000413511823 533479759 /nfs/dbraw/zinc/47/97/59/533479759.db2.gz XEDGAEWXNNXKKE-LSDHHAIUSA-N 2 0 354.495 0.853 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000186913963 229238680 /nfs/dbraw/zinc/23/86/80/229238680.db2.gz GARWKDBLEWNWMW-OAHLLOKOSA-N 2 0 364.490 0.939 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410454970 230086816 /nfs/dbraw/zinc/08/68/16/230086816.db2.gz YTVAZNZTWIJSST-GOSISDBHSA-N 2 0 360.502 0.936 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000410469673 230090895 /nfs/dbraw/zinc/09/08/95/230090895.db2.gz CSLADKUDGVBOPB-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410475690 230095749 /nfs/dbraw/zinc/09/57/49/230095749.db2.gz NLFFZJJIKIUBAI-IRXDYDNUSA-N 2 0 366.506 0.110 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410505317 230109048 /nfs/dbraw/zinc/10/90/48/230109048.db2.gz UVRYSYHIRNBWSS-INIZCTEOSA-N 2 0 354.495 0.110 20 0 FCADRP C[C@H]1OCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410580010 230142180 /nfs/dbraw/zinc/14/21/80/230142180.db2.gz HGFAQMPRRGIVBO-LSDHHAIUSA-N 2 0 354.495 0.107 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410781316 230245803 /nfs/dbraw/zinc/24/58/03/230245803.db2.gz BSMXERTYRGSBHB-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CN3CCNC3=O)CC2)CC1 ZINC000933592427 674262607 /nfs/dbraw/zinc/26/26/07/674262607.db2.gz YMJFLASSANACDG-UHFFFAOYSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C2CCC2)c1 ZINC000933652723 674266581 /nfs/dbraw/zinc/26/65/81/674266581.db2.gz ZOKDLAYXCLGOOM-UHFFFAOYSA-N 2 0 350.467 0.498 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000480073091 484100001 /nfs/dbraw/zinc/10/00/01/484100001.db2.gz ZFNGNGPSZHRPRJ-GOSISDBHSA-N 2 0 362.478 0.328 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000515410804 484152156 /nfs/dbraw/zinc/15/21/56/484152156.db2.gz QTMLLDAOOSMPGA-AWEZNQCLSA-N 2 0 362.478 0.546 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000538089088 484206281 /nfs/dbraw/zinc/20/62/81/484206281.db2.gz XCMWYJISFCPYJW-UHFFFAOYSA-N 2 0 350.467 0.372 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363806190 488887277 /nfs/dbraw/zinc/88/72/77/488887277.db2.gz OWQMGKXKNCBGOD-KRWDZBQOSA-N 2 0 354.539 0.877 20 0 FCADRP CCc1ccc([C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000562795646 491189803 /nfs/dbraw/zinc/18/98/03/491189803.db2.gz PSIDTBBNUKLNRM-KRWDZBQOSA-N 2 0 361.490 0.583 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312041188 488895467 /nfs/dbraw/zinc/89/54/67/488895467.db2.gz WHQILHXQHIXDBD-ZWKOTPCHSA-N 2 0 356.470 0.399 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000287977589 488928201 /nfs/dbraw/zinc/92/82/01/488928201.db2.gz VJTROGLQDFPUCS-JJRVBVJISA-N 2 0 362.478 0.723 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000562805125 491190595 /nfs/dbraw/zinc/19/05/95/491190595.db2.gz YDCVNFZOOJLEMQ-MSOLQXFVSA-N 2 0 356.470 0.371 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364373382 488952790 /nfs/dbraw/zinc/95/27/90/488952790.db2.gz DQLQVGKYPYPFAH-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000066916824 488340183 /nfs/dbraw/zinc/34/01/83/488340183.db2.gz UNYGIPLHLSLTFZ-OAHLLOKOSA-N 2 0 357.524 0.940 20 0 FCADRP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586405 488385046 /nfs/dbraw/zinc/38/50/46/488385046.db2.gz QQDBCEDPBHRCCC-KZNAEPCWSA-N 2 0 369.554 0.668 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000074188028 488388705 /nfs/dbraw/zinc/38/87/05/488388705.db2.gz HIENNLSYQAAEKE-NVXWUHKLSA-N 2 0 364.465 0.955 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864123 488394524 /nfs/dbraw/zinc/39/45/24/488394524.db2.gz WYKVGZZAJFPHHV-HNNXBMFYSA-N 2 0 364.498 0.566 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000187354683 488410058 /nfs/dbraw/zinc/41/00/58/488410058.db2.gz DVTSNFZYRUEVNW-UHFFFAOYSA-N 2 0 370.538 0.883 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000192595422 488423195 /nfs/dbraw/zinc/42/31/95/488423195.db2.gz LMAPGDDGSKPCPH-GFCCVEGCSA-N 2 0 357.524 0.823 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000569843002 491197283 /nfs/dbraw/zinc/19/72/83/491197283.db2.gz RRCHTMOOOYLMLD-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000192766003 488423983 /nfs/dbraw/zinc/42/39/83/488423983.db2.gz PVPIRBBTMWMVBL-UHFFFAOYSA-N 3 0 367.582 0.792 20 0 FCADRP COCCN1CCN(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000193131474 488426356 /nfs/dbraw/zinc/42/63/56/488426356.db2.gz HEYFJYWKJHREAB-QGZVFWFLSA-N 2 0 356.511 0.707 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000269256385 488483370 /nfs/dbraw/zinc/48/33/70/488483370.db2.gz JZOGMTKJCQJWKF-ZWKOTPCHSA-N 2 0 374.485 0.379 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000247598288 488488636 /nfs/dbraw/zinc/48/86/36/488488636.db2.gz KPBZGWXXHCLBOX-JKSUJKDBSA-N 2 0 368.522 0.090 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269301894 488489279 /nfs/dbraw/zinc/48/92/79/488489279.db2.gz RCQPXJVYISYGCX-SFHVURJKSA-N 2 0 362.474 0.630 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000101764849 488496243 /nfs/dbraw/zinc/49/62/43/488496243.db2.gz WTUZPSKKUWIBQK-MRXNPFEDSA-N 2 0 353.511 0.714 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000102048626 488497219 /nfs/dbraw/zinc/49/72/19/488497219.db2.gz BLEYWHKRGNIVCE-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102050405 488497236 /nfs/dbraw/zinc/49/72/36/488497236.db2.gz MLRNLLGNARAXQT-QGZVFWFLSA-N 2 0 365.522 0.855 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049266 488497526 /nfs/dbraw/zinc/49/75/26/488497526.db2.gz WBPPURCXGMENPL-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]1Oc2ccccc2N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000103210811 488499946 /nfs/dbraw/zinc/49/99/46/488499946.db2.gz IXCOMDRNFOPXLN-HNNXBMFYSA-N 2 0 362.474 0.752 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000103212899 488500600 /nfs/dbraw/zinc/50/06/00/488500600.db2.gz ZPMZTBTVMZWWQQ-UHFFFAOYSA-N 2 0 357.458 0.798 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103306745 488500924 /nfs/dbraw/zinc/50/09/24/488500924.db2.gz MJCHCJJJOVOKSA-INIZCTEOSA-N 2 0 363.506 0.420 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000569919184 491203270 /nfs/dbraw/zinc/20/32/70/491203270.db2.gz OIFMFOZIYXXGIT-QGZVFWFLSA-N 2 0 350.507 0.908 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103614542 488503147 /nfs/dbraw/zinc/50/31/47/488503147.db2.gz OADFRLYMWIRXQW-QGZVFWFLSA-N 2 0 367.538 0.912 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103605534 488503257 /nfs/dbraw/zinc/50/32/57/488503257.db2.gz XMAKJACYFHECAU-MRXNPFEDSA-N 2 0 365.522 0.666 20 0 FCADRP Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104190724 488504038 /nfs/dbraw/zinc/50/40/38/488504038.db2.gz XLSBDMYDBKTSPJ-UHFFFAOYSA-N 2 0 362.478 0.134 20 0 FCADRP Cc1noc2ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc12 ZINC000104102311 488504164 /nfs/dbraw/zinc/50/41/64/488504164.db2.gz BHGUHKPKICUXRP-UHFFFAOYSA-N 2 0 355.464 0.645 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249119844 488506891 /nfs/dbraw/zinc/50/68/91/488506891.db2.gz PHQDTGHRFOKRDM-IRXDYDNUSA-N 2 0 370.538 0.830 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105223186 488508435 /nfs/dbraw/zinc/50/84/35/488508435.db2.gz MGCLHJUCZBEZOG-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108570863 488520272 /nfs/dbraw/zinc/52/02/72/488520272.db2.gz CGLYRPCBHZHFQE-JKSUJKDBSA-N 2 0 353.511 0.570 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558700 488527058 /nfs/dbraw/zinc/52/70/58/488527058.db2.gz HVEDNUXFDMCBDI-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261847628 488538444 /nfs/dbraw/zinc/53/84/44/488538444.db2.gz MDWASASEQYXCCZ-NVXWUHKLSA-N 2 0 369.469 0.775 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562999 488540983 /nfs/dbraw/zinc/54/09/83/488540983.db2.gz XZVYEDWPWGBSCS-IBGZPJMESA-N 2 0 365.566 0.687 20 0 FCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000261912740 488541640 /nfs/dbraw/zinc/54/16/40/488541640.db2.gz WQDKSFXVIJEPLA-QGZVFWFLSA-N 2 0 358.486 0.837 20 0 FCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000261912739 488541828 /nfs/dbraw/zinc/54/18/28/488541828.db2.gz WQDKSFXVIJEPLA-KRWDZBQOSA-N 2 0 358.486 0.837 20 0 FCADRP C[NH+]1CCN(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261921632 488542002 /nfs/dbraw/zinc/54/20/02/488542002.db2.gz YXPAPIODHKMTSJ-INIZCTEOSA-N 2 0 369.307 0.987 20 0 FCADRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000262022184 488546363 /nfs/dbraw/zinc/54/63/63/488546363.db2.gz YHJPMOOQTDGVEL-UHFFFAOYSA-N 2 0 362.474 0.488 20 0 FCADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000262018598 488546620 /nfs/dbraw/zinc/54/66/20/488546620.db2.gz OOMQQGNORPRLCK-PBHICJAKSA-N 2 0 360.458 0.909 20 0 FCADRP C[C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000262031308 488546896 /nfs/dbraw/zinc/54/68/96/488546896.db2.gz PKCJQPSIHLKYJJ-HZSPNIEDSA-N 2 0 350.429 0.965 20 0 FCADRP C[C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000262031312 488546951 /nfs/dbraw/zinc/54/69/51/488546951.db2.gz PKCJQPSIHLKYJJ-MGPQQGTHSA-N 2 0 350.429 0.965 20 0 FCADRP O=C(N1CCC(C[NH+]2CCOCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262217209 488557506 /nfs/dbraw/zinc/55/75/06/488557506.db2.gz JEMHQESLPUZKQV-UHFFFAOYSA-N 2 0 361.490 0.533 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790922 488558631 /nfs/dbraw/zinc/55/86/31/488558631.db2.gz PFGXETMDNCNXFM-IRXDYDNUSA-N 2 0 367.538 0.851 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)Cc1ccccc1 ZINC000272321657 488573097 /nfs/dbraw/zinc/57/30/97/488573097.db2.gz LGQJBWIQOBGVGW-DLBZAZTESA-N 2 0 369.531 0.818 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262756620 488590548 /nfs/dbraw/zinc/59/05/48/488590548.db2.gz DMUWZUQPGZAEHN-IBGZPJMESA-N 2 0 365.441 0.886 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573284 488602428 /nfs/dbraw/zinc/60/24/28/488602428.db2.gz VNYXIIVCTXJPKO-INIZCTEOSA-N 2 0 374.489 0.371 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000263278325 488609008 /nfs/dbraw/zinc/60/90/08/488609008.db2.gz ZDIDAUCXZTUATB-PBHICJAKSA-N 2 0 350.463 0.941 20 0 FCADRP C[N@H+](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000134105400 488664364 /nfs/dbraw/zinc/66/43/64/488664364.db2.gz VXRNCLOGQNTSKP-OAHLLOKOSA-N 2 0 354.520 0.190 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662774 491216498 /nfs/dbraw/zinc/21/64/98/491216498.db2.gz XYSIUJTWJDCFFE-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000136331682 488677246 /nfs/dbraw/zinc/67/72/46/488677246.db2.gz FZIMAONYLVVNAZ-KRWDZBQOSA-N 2 0 365.522 0.807 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136664350 488678408 /nfs/dbraw/zinc/67/84/08/488678408.db2.gz SCKCMJVFFFNCDW-UHFFFAOYSA-N 2 0 350.463 0.863 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000264717313 488702431 /nfs/dbraw/zinc/70/24/31/488702431.db2.gz KHVCNRKYZKWXAA-QGZVFWFLSA-N 2 0 363.506 0.672 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC000274391033 488704232 /nfs/dbraw/zinc/70/42/32/488704232.db2.gz DFJFYLDXAVNAPS-UHFFFAOYSA-N 2 0 361.490 0.088 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000264833712 488717470 /nfs/dbraw/zinc/71/74/70/488717470.db2.gz JRYVBTUSYJZXKW-OAHLLOKOSA-N 2 0 362.478 0.168 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000563092666 491214988 /nfs/dbraw/zinc/21/49/88/491214988.db2.gz LYGUUXZDRDMCGR-QGZVFWFLSA-N 2 0 359.474 0.499 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC000153158310 488727657 /nfs/dbraw/zinc/72/76/57/488727657.db2.gz KOMNZDYZQUDTLZ-AWEZNQCLSA-N 2 0 366.510 0.866 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146736 491219875 /nfs/dbraw/zinc/21/98/75/491219875.db2.gz OMYOXJBIEGEEIF-IRXDYDNUSA-N 2 0 368.522 0.740 20 0 FCADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000161798389 488798769 /nfs/dbraw/zinc/79/87/69/488798769.db2.gz KSGJDOXTJSIBCZ-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP [NH3+]C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)Cc2ccccc2C1 ZINC000167408374 488812214 /nfs/dbraw/zinc/81/22/14/488812214.db2.gz VBBJWBSNRJSUJS-UHFFFAOYSA-N 2 0 356.470 0.249 20 0 FCADRP C[C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167410510 488812238 /nfs/dbraw/zinc/81/22/38/488812238.db2.gz CROWUYSIROGSED-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171195291 488820678 /nfs/dbraw/zinc/82/06/78/488820678.db2.gz RAOMJJHSIUCJQL-UHFFFAOYSA-N 2 0 364.494 0.211 20 0 FCADRP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000171658304 488825545 /nfs/dbraw/zinc/82/55/45/488825545.db2.gz PGZHRLQZSXXMOX-HOTGVXAUSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000172307306 488832436 /nfs/dbraw/zinc/83/24/36/488832436.db2.gz JAGWPVLCXNGOLB-UHFFFAOYSA-N 2 0 361.490 0.835 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccnc(C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000172679866 488836748 /nfs/dbraw/zinc/83/67/48/488836748.db2.gz NIOBGWVRHPJBEN-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP C[C@@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000172810186 488838266 /nfs/dbraw/zinc/83/82/66/488838266.db2.gz NIMQBUWCTAWSOC-SFHVURJKSA-N 2 0 373.545 0.800 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000174292321 488848282 /nfs/dbraw/zinc/84/82/82/488848282.db2.gz NUABXLTUTJFOMJ-ZWKOTPCHSA-N 2 0 351.539 0.997 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000174292336 488848306 /nfs/dbraw/zinc/84/83/06/488848306.db2.gz NUABXLTUTJFOMJ-QZTJIDSGSA-N 2 0 351.539 0.997 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@H+](C)CCCOC)C2)CC1 ZINC000175738454 488855151 /nfs/dbraw/zinc/85/51/51/488855151.db2.gz ILNNAOZTUGRQBC-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000175772996 488855483 /nfs/dbraw/zinc/85/54/83/488855483.db2.gz AKPFAEKAIXBXJL-ROUUACIJSA-N 2 0 368.570 0.053 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000176339509 488858192 /nfs/dbraw/zinc/85/81/92/488858192.db2.gz ZDRMQXARYODYFN-QGZVFWFLSA-N 2 0 369.554 0.811 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000178648930 488860538 /nfs/dbraw/zinc/86/05/38/488860538.db2.gz AMERXVAPXHQJHH-MRXNPFEDSA-N 2 0 353.463 0.547 20 0 FCADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)C[C@@H](C)O1 ZINC000563221158 491228299 /nfs/dbraw/zinc/22/82/99/491228299.db2.gz ZQHYPAVBRGQYNF-NUJGCVRESA-N 2 0 355.523 0.283 20 0 FCADRP CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)C(N)=O ZINC000289283579 489055582 /nfs/dbraw/zinc/05/55/82/489055582.db2.gz GMFOGWRYITVROT-IBGZPJMESA-N 2 0 362.474 0.947 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289301249 489056609 /nfs/dbraw/zinc/05/66/09/489056609.db2.gz SDBNYWMBEWRTNA-SFHVURJKSA-N 2 0 372.517 0.100 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289301198 489056805 /nfs/dbraw/zinc/05/68/05/489056805.db2.gz SCLMEXBFVJPLLH-HXUWFJFHSA-N 2 0 371.529 0.705 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322474 489063523 /nfs/dbraw/zinc/06/35/23/489063523.db2.gz AWMIRSFELNIQOA-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H](C)N1CCOCC1 ZINC000365327477 489064435 /nfs/dbraw/zinc/06/44/35/489064435.db2.gz OUEAZKVJEKXLGQ-OKZBNKHCSA-N 2 0 367.538 0.517 20 0 FCADRP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)C1COC1 ZINC000330205853 489080315 /nfs/dbraw/zinc/08/03/15/489080315.db2.gz DTAXWHLZIYWIQN-DLBZAZTESA-N 2 0 359.536 0.984 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289902543 489101498 /nfs/dbraw/zinc/10/14/98/489101498.db2.gz UIRXUHJWSRQZBV-KSSFIOAISA-N 2 0 366.531 0.937 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281868728 489112518 /nfs/dbraw/zinc/11/25/18/489112518.db2.gz OQUIVCMGRCYGHH-NVXWUHKLSA-N 2 0 374.489 0.418 20 0 FCADRP C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281868723 489113067 /nfs/dbraw/zinc/11/30/67/489113067.db2.gz OQUIVCMGRCYGHH-DOTOQJQBSA-N 2 0 374.489 0.418 20 0 FCADRP CC[C@@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)[NH+](C)C ZINC000331140957 489177206 /nfs/dbraw/zinc/17/72/06/489177206.db2.gz UKBPZLRCLJWPGN-KRWDZBQOSA-N 3 0 367.538 0.023 20 0 FCADRP CC[C@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)[NH+](C)C ZINC000331140958 489177442 /nfs/dbraw/zinc/17/74/42/489177442.db2.gz UKBPZLRCLJWPGN-QGZVFWFLSA-N 3 0 367.538 0.023 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331379897 489203521 /nfs/dbraw/zinc/20/35/21/489203521.db2.gz GECSJXAQINVJIS-NNXHMXCWSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331379895 489203657 /nfs/dbraw/zinc/20/36/57/489203657.db2.gz GECSJXAQINVJIS-BQJWPVKWSA-N 2 0 350.507 0.537 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000367571538 489207608 /nfs/dbraw/zinc/20/76/08/489207608.db2.gz BFNUGTVLZNDUBO-SJLPKXTDSA-N 2 0 352.523 0.770 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CCCC1 ZINC000283130344 489218183 /nfs/dbraw/zinc/21/81/83/489218183.db2.gz CQOVNAKPSUUXNW-UHFFFAOYSA-N 2 0 359.474 0.769 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283225526 489229896 /nfs/dbraw/zinc/22/98/96/489229896.db2.gz ABWWFODWROWOOI-KRWDZBQOSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000332884188 489242699 /nfs/dbraw/zinc/24/26/99/489242699.db2.gz IRBFSLXGMZFFHO-MSOLQXFVSA-N 2 0 367.538 0.517 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369684521 489263515 /nfs/dbraw/zinc/26/35/15/489263515.db2.gz VPVUIKSCQSPOKU-UHFFFAOYSA-N 2 0 352.483 1.192 20 0 FCADRP CC(C)CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000283606625 489280665 /nfs/dbraw/zinc/28/06/65/489280665.db2.gz PVBMJCVMAQNRTH-UHFFFAOYSA-N 2 0 361.490 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633701 489283669 /nfs/dbraw/zinc/28/36/69/489283669.db2.gz PDCASKXHWBBMMD-CQSZACIVSA-N 2 0 359.478 0.851 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263621 489308281 /nfs/dbraw/zinc/30/82/81/489308281.db2.gz KXYNRCMSSFWXFY-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@H+](CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC000285820461 489322787 /nfs/dbraw/zinc/32/27/87/489322787.db2.gz TUZPMYDDOYNRGL-UHFFFAOYSA-N 2 0 367.515 0.792 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000286030292 489348657 /nfs/dbraw/zinc/34/86/57/489348657.db2.gz RDLFQTZHEFFLFO-MRXNPFEDSA-N 2 0 368.453 0.239 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501164 491244789 /nfs/dbraw/zinc/24/47/89/491244789.db2.gz LBVKPRFNVDCQEJ-RDJZCZTQSA-N 2 0 359.474 0.238 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000563459821 491249438 /nfs/dbraw/zinc/24/94/38/491249438.db2.gz ZHKHEPSEJJQXJM-QZTJIDSGSA-N 2 0 358.486 0.615 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000370468565 489363823 /nfs/dbraw/zinc/36/38/23/489363823.db2.gz JKVCGOUDNSCULL-YYAJDYIMSA-N 2 0 353.507 0.992 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000370516294 489369817 /nfs/dbraw/zinc/36/98/17/489369817.db2.gz AIDBIOBKPCLJJC-ZWKOTPCHSA-N 2 0 357.539 0.748 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000570598715 491252758 /nfs/dbraw/zinc/25/27/58/491252758.db2.gz DRPZCQDFGKBATR-UHFFFAOYSA-N 2 0 367.519 0.589 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858864 489402017 /nfs/dbraw/zinc/40/20/17/489402017.db2.gz GTUPVWQLGPLJCE-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O ZINC000563530322 491252975 /nfs/dbraw/zinc/25/29/75/491252975.db2.gz QEWMYBOAKSXWNW-CQSZACIVSA-N 2 0 367.515 0.907 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000563544789 491253728 /nfs/dbraw/zinc/25/37/28/491253728.db2.gz UFVVIHPTCJXXIS-RCCFBDPRSA-N 2 0 351.539 0.946 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000570631281 491254341 /nfs/dbraw/zinc/25/43/41/491254341.db2.gz NLRLVNHWNHPJSY-UHFFFAOYSA-N 3 0 371.489 0.350 20 0 FCADRP C[C@@]1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000563601626 491257477 /nfs/dbraw/zinc/25/74/77/491257477.db2.gz MFBPHEVTYFHXDG-MAUKXSAKSA-N 2 0 351.495 0.230 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363184789 489435097 /nfs/dbraw/zinc/43/50/97/489435097.db2.gz HMPORJDCYUGABY-HUUCEWRRSA-N 2 0 355.479 0.487 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000570684969 491258124 /nfs/dbraw/zinc/25/81/24/491258124.db2.gz MVPDRFAWTKWPBY-UHFFFAOYSA-N 2 0 359.536 0.732 20 0 FCADRP CCNC(=O)[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299468970 489444587 /nfs/dbraw/zinc/44/45/87/489444587.db2.gz FUAGRBJHDXLNAG-HNNXBMFYSA-N 2 0 362.478 0.418 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063925 489447642 /nfs/dbraw/zinc/44/76/42/489447642.db2.gz NDTXIPDVSMSRRJ-IRXDYDNUSA-N 2 0 352.479 0.356 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000563620361 491258677 /nfs/dbraw/zinc/25/86/77/491258677.db2.gz JHLTZEDIVARTCB-SWLSCSKDSA-N 2 0 352.866 0.879 20 0 FCADRP Cn1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1=O ZINC000299588776 489459785 /nfs/dbraw/zinc/45/97/85/489459785.db2.gz SLRYCSSEEDCUNB-UHFFFAOYSA-N 2 0 355.442 0.722 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423080327 489492306 /nfs/dbraw/zinc/49/23/06/489492306.db2.gz AABUKCBDUBWXMW-KRWDZBQOSA-N 2 0 368.522 0.533 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000371654447 489493061 /nfs/dbraw/zinc/49/30/61/489493061.db2.gz RSKKGDNYGINSQI-QGZVFWFLSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423105308 489493478 /nfs/dbraw/zinc/49/34/78/489493478.db2.gz YZEPSOAXUSUWMP-IBGZPJMESA-N 2 0 364.465 0.913 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371654555 489493975 /nfs/dbraw/zinc/49/39/75/489493975.db2.gz SQQLOLHDGSPUTM-SFHVURJKSA-N 2 0 367.538 0.376 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423128125 489495730 /nfs/dbraw/zinc/49/57/30/489495730.db2.gz KEXDFZIKHLPPPB-MRXNPFEDSA-N 2 0 356.511 0.389 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([NH+](C)C)CCOCC3)C2)CC1 ZINC000371676600 489496610 /nfs/dbraw/zinc/49/66/10/489496610.db2.gz ZCTFNBBIKYETTO-MRXNPFEDSA-N 2 0 367.538 0.565 20 0 FCADRP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423150020 489497659 /nfs/dbraw/zinc/49/76/59/489497659.db2.gz YLIHAOIUXHYFGJ-ROUUACIJSA-N 2 0 374.485 0.296 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000423158838 489497959 /nfs/dbraw/zinc/49/79/59/489497959.db2.gz DOBDISASQDWEKE-HZPDHXFCSA-N 2 0 362.474 0.546 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423158711 489498398 /nfs/dbraw/zinc/49/83/98/489498398.db2.gz XBESRCXZBWYJLB-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000423166495 489498920 /nfs/dbraw/zinc/49/89/20/489498920.db2.gz CWBFFXQOKGHXDR-UHFFFAOYSA-N 2 0 364.490 0.936 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000423168422 489499054 /nfs/dbraw/zinc/49/90/54/489499054.db2.gz HIYMXHKWMQOJQN-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000451332493 489499402 /nfs/dbraw/zinc/49/94/02/489499402.db2.gz HLBFUYDFNKLEAH-SFHVURJKSA-N 2 0 355.479 0.487 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC000423199225 489501917 /nfs/dbraw/zinc/50/19/17/489501917.db2.gz AWXPMKXBRONEHV-GJZGRUSLSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423204664 489502606 /nfs/dbraw/zinc/50/26/06/489502606.db2.gz OKAWYMTYRRIPDC-UHFFFAOYSA-N 2 0 354.401 0.287 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371749829 489505695 /nfs/dbraw/zinc/50/56/95/489505695.db2.gz UHQAOPFWNSYENM-ROUUACIJSA-N 2 0 373.501 0.573 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423273124 489509971 /nfs/dbraw/zinc/50/99/71/489509971.db2.gz ZWMFKSVVJNIEKG-GVDBMIGSSA-N 2 0 368.522 0.389 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423301756 489513184 /nfs/dbraw/zinc/51/31/84/489513184.db2.gz GIIWAKLAORNOSL-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000423302786 489513234 /nfs/dbraw/zinc/51/32/34/489513234.db2.gz KNYWGKIJMHYHPV-JDEYZFBPSA-N 2 0 362.518 0.777 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000415390508 489516729 /nfs/dbraw/zinc/51/67/29/489516729.db2.gz GLSMVAPXLKUBBD-HNNXBMFYSA-N 2 0 362.474 0.990 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2)CC1 ZINC000415410583 489517700 /nfs/dbraw/zinc/51/77/00/489517700.db2.gz AANVZKKAVBSDTL-OAHLLOKOSA-N 2 0 361.490 0.961 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000563638015 491260178 /nfs/dbraw/zinc/26/01/78/491260178.db2.gz QXIFQVICXHBJTF-YVSFHVDLSA-N 2 0 357.458 0.385 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000415472514 489523876 /nfs/dbraw/zinc/52/38/76/489523876.db2.gz XJAPYRZOWMKTHT-UHFFFAOYSA-N 2 0 361.490 0.616 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000415515257 489526086 /nfs/dbraw/zinc/52/60/86/489526086.db2.gz HTANMDDMTZBQRU-HNNXBMFYSA-N 2 0 361.490 0.474 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949406 489527553 /nfs/dbraw/zinc/52/75/53/489527553.db2.gz VHDJDTCOOLPUBQ-QZTJIDSGSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415544089 489527738 /nfs/dbraw/zinc/52/77/38/489527738.db2.gz STCIDONZKHCBHC-NVXWUHKLSA-N 2 0 373.501 0.568 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(C)c2)CC1 ZINC000415546697 489528555 /nfs/dbraw/zinc/52/85/55/489528555.db2.gz BKAKNUGCUCIXJD-OAHLLOKOSA-N 2 0 361.490 0.929 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415593950 489533974 /nfs/dbraw/zinc/53/39/74/489533974.db2.gz FUFZHFUYFLQHFD-AWEZNQCLSA-N 2 0 364.446 0.060 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425867075 489535620 /nfs/dbraw/zinc/53/56/20/489535620.db2.gz GUKWZNWIAYMHBP-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425867073 489535850 /nfs/dbraw/zinc/53/58/50/489535850.db2.gz GUKWZNWIAYMHBP-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415602387 489535912 /nfs/dbraw/zinc/53/59/12/489535912.db2.gz RODAQEPBJKIXGO-CYBMUJFWSA-N 2 0 350.488 0.680 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000425881614 489539271 /nfs/dbraw/zinc/53/92/71/489539271.db2.gz CWBCTEKLLURZOQ-GDBMZVCRSA-N 2 0 366.506 0.155 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC[NH+](C)C ZINC000415668247 489540039 /nfs/dbraw/zinc/54/00/39/489540039.db2.gz CELGLJWMIAKTHW-GASCZTMLSA-N 2 0 360.458 0.552 20 0 FCADRP O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415757271 489550645 /nfs/dbraw/zinc/55/06/45/489550645.db2.gz GFLHPZVRGWJLGL-FOLVSLTJSA-N 2 0 360.483 0.508 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)C1CC([NH3+])C1 ZINC000415788524 489553159 /nfs/dbraw/zinc/55/31/59/489553159.db2.gz LRVCXKHZRMQCJQ-UHFFFAOYSA-N 2 0 352.410 0.653 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000454093311 489562551 /nfs/dbraw/zinc/56/25/51/489562551.db2.gz JTFCXJMVWOKWBH-OAHLLOKOSA-N 2 0 356.430 1.147 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415901205 489564892 /nfs/dbraw/zinc/56/48/92/489564892.db2.gz WZHDVESFVWMAEN-JKSUJKDBSA-N 2 0 374.485 0.942 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007256 489567332 /nfs/dbraw/zinc/56/73/32/489567332.db2.gz MLCFDHKYNLWMLL-NWDGAFQWSA-N 2 0 365.400 0.214 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2n[nH]nc2n1 ZINC000416141552 489571509 /nfs/dbraw/zinc/57/15/09/489571509.db2.gz CZPMDXLGJOGNPO-UHFFFAOYSA-N 2 0 366.429 0.690 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000555668010 491263752 /nfs/dbraw/zinc/26/37/52/491263752.db2.gz QKAXQSCRLKCHNT-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000563697733 491263942 /nfs/dbraw/zinc/26/39/42/491263942.db2.gz QVKLIQFNVVNUIX-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CCCN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427012118 489591473 /nfs/dbraw/zinc/59/14/73/489591473.db2.gz MVHMRKZNJYAPAW-UHFFFAOYSA-N 2 0 362.478 0.643 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(C)C ZINC000427082187 489594068 /nfs/dbraw/zinc/59/40/68/489594068.db2.gz VWEOPYCZVWVWCQ-UHFFFAOYSA-N 2 0 364.494 0.935 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)C1 ZINC000427291645 489600865 /nfs/dbraw/zinc/60/08/65/489600865.db2.gz IIRIAIZJNCEXNH-AEFFLSMTSA-N 2 0 358.486 1.000 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(C)(C)OC(C)(C)C(=O)N(C)CC[NH+](C)C ZINC000455855935 489601459 /nfs/dbraw/zinc/60/14/59/489601459.db2.gz ZRCKOEVMQNRAHG-UHFFFAOYSA-N 2 0 358.527 0.600 20 0 FCADRP CC(C)(CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000416820292 489630543 /nfs/dbraw/zinc/63/05/43/489630543.db2.gz CHTOSLQNBMFZGM-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000416872260 489632237 /nfs/dbraw/zinc/63/22/37/489632237.db2.gz LUBLNSGLIFDJIN-KRWDZBQOSA-N 2 0 365.522 0.716 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000416937287 489634932 /nfs/dbraw/zinc/63/49/32/489634932.db2.gz CXTVCYXMFKAVRU-BBWFWOEESA-N 2 0 353.511 0.175 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[NH+]1CCOCC1 ZINC000416961501 489636796 /nfs/dbraw/zinc/63/67/96/489636796.db2.gz SHXCDQRTGXCZPC-SJORKVTESA-N 2 0 355.527 0.326 20 0 FCADRP COCC1(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]CC1 ZINC000416960272 489636931 /nfs/dbraw/zinc/63/69/31/489636931.db2.gz ZXXLSBSDHNMSBW-HZPDHXFCSA-N 2 0 356.511 0.801 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000416979704 489637203 /nfs/dbraw/zinc/63/72/03/489637203.db2.gz XGRQYEWKRVNKSQ-UHFFFAOYSA-N 2 0 363.506 0.722 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000416974525 489637296 /nfs/dbraw/zinc/63/72/96/489637296.db2.gz LTBKYOFYVFBDDV-QGZVFWFLSA-N 2 0 350.463 0.886 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000416974524 489637544 /nfs/dbraw/zinc/63/75/44/489637544.db2.gz LTBKYOFYVFBDDV-KRWDZBQOSA-N 2 0 350.463 0.886 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417016393 489638536 /nfs/dbraw/zinc/63/85/36/489638536.db2.gz GCSWZQSIOFUUSZ-BRWVUGGUSA-N 2 0 367.538 0.851 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000417212066 489645028 /nfs/dbraw/zinc/64/50/28/489645028.db2.gz HJNFCWMDHSAHGJ-MDZRGWNJSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000457502452 489647316 /nfs/dbraw/zinc/64/73/16/489647316.db2.gz FCFLROXLBLDICY-IRXDYDNUSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417323622 489648958 /nfs/dbraw/zinc/64/89/58/489648958.db2.gz HAADHLVSWBRHOX-BZUAXINKSA-N 2 0 353.511 0.603 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417363585 489649501 /nfs/dbraw/zinc/64/95/01/489649501.db2.gz GAERHWZICGDZEE-SFHVURJKSA-N 3 0 360.506 0.987 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C[C@H](C)O1 ZINC000457570592 489649944 /nfs/dbraw/zinc/64/99/44/489649944.db2.gz HMVLLZRIKJAVOZ-BBWFWOEESA-N 2 0 356.511 0.632 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417389945 489651184 /nfs/dbraw/zinc/65/11/84/489651184.db2.gz QBFGTTDQMMUGOT-FQEVSTJZSA-N 3 0 372.517 0.989 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000457614656 489651619 /nfs/dbraw/zinc/65/16/19/489651619.db2.gz XDTHZYQQFFKVMT-SJORKVTESA-N 2 0 356.511 0.489 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418873 489651678 /nfs/dbraw/zinc/65/16/78/489651678.db2.gz BZVVFVIMKPMCAR-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417425990 489651759 /nfs/dbraw/zinc/65/17/59/489651759.db2.gz FNWNZTRKNSXSBO-HZMVEIRTSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000417435421 489653623 /nfs/dbraw/zinc/65/36/23/489653623.db2.gz YODFDOJKDHMHHU-BZUAXINKSA-N 2 0 353.511 0.555 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417433073 489653715 /nfs/dbraw/zinc/65/37/15/489653715.db2.gz UWSUKCIHBPNQGV-NXOAAHMSSA-N 2 0 365.522 0.698 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449956 489654853 /nfs/dbraw/zinc/65/48/53/489654853.db2.gz YYQYXNXCVJLDPL-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000417478287 489655851 /nfs/dbraw/zinc/65/58/51/489655851.db2.gz SAAWLEJVCCVRQK-HNNXBMFYSA-N 2 0 361.490 0.777 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000417502728 489656415 /nfs/dbraw/zinc/65/64/15/489656415.db2.gz BUPUFSJUQOHZMC-KRWDZBQOSA-N 2 0 350.463 0.539 20 0 FCADRP C[N@H+](CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000417510068 489656824 /nfs/dbraw/zinc/65/68/24/489656824.db2.gz SNCXJCDYMSWDJQ-AWEZNQCLSA-N 2 0 365.444 0.996 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417558205 489658011 /nfs/dbraw/zinc/65/80/11/489658011.db2.gz DTUDCHCSTVQYSB-UHFFFAOYSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)[N@H+](C)C1CC1 ZINC000417550473 489658170 /nfs/dbraw/zinc/65/81/70/489658170.db2.gz LKJKGYHBTQTEFO-INMHGKMJSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417551433 489658308 /nfs/dbraw/zinc/65/83/08/489658308.db2.gz ZQMUOHUWQOGILL-YOEHRIQHSA-N 2 0 361.490 0.920 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417617114 489659824 /nfs/dbraw/zinc/65/98/24/489659824.db2.gz ZQVBUDUGWBEEHL-ZDUSSCGKSA-N 2 0 353.433 0.854 20 0 FCADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000417784367 489665892 /nfs/dbraw/zinc/66/58/92/489665892.db2.gz AMLWRGRFGSXFGP-INIZCTEOSA-N 2 0 355.527 0.992 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417804756 489665962 /nfs/dbraw/zinc/66/59/62/489665962.db2.gz ZLDWMPKITJJHBK-IRXDYDNUSA-N 2 0 365.522 0.747 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000417820347 489667366 /nfs/dbraw/zinc/66/73/66/489667366.db2.gz HHOREIBSDHILFW-HNNXBMFYSA-N 2 0 365.522 0.890 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417846090 489668493 /nfs/dbraw/zinc/66/84/93/489668493.db2.gz PLJBPWRTWLXBNF-CQSZACIVSA-N 2 0 355.527 0.910 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]1 ZINC000417854587 489668723 /nfs/dbraw/zinc/66/87/23/489668723.db2.gz UFAZGGUAVMTZIE-CQSZACIVSA-N 2 0 353.511 0.616 20 0 FCADRP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000417856616 489668753 /nfs/dbraw/zinc/66/87/53/489668753.db2.gz MZXSMLRTYXMRIM-LSDHHAIUSA-N 2 0 355.527 0.992 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867469 489669134 /nfs/dbraw/zinc/66/91/34/489669134.db2.gz DIINYSAIVAMYMD-HZPDHXFCSA-N 2 0 353.511 0.461 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417945818 489673233 /nfs/dbraw/zinc/67/32/33/489673233.db2.gz XXTPIGKNMOICCO-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000418025631 489675923 /nfs/dbraw/zinc/67/59/23/489675923.db2.gz OEGJJFASACHQFB-AEFFLSMTSA-N 2 0 363.506 0.584 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418104230 489678378 /nfs/dbraw/zinc/67/83/78/489678378.db2.gz XHZPDIQEXIZRCA-CABCVRRESA-N 2 0 353.511 0.603 20 0 FCADRP COCC1(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH2+]CC1 ZINC000418120228 489679271 /nfs/dbraw/zinc/67/92/71/489679271.db2.gz VSKBXXJMVXEPSS-MRXNPFEDSA-N 2 0 356.511 0.803 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418182785 489683196 /nfs/dbraw/zinc/68/31/96/489683196.db2.gz KKDOPFIQFZYZKG-JZXOWHBKSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265574 489683392 /nfs/dbraw/zinc/68/33/92/489683392.db2.gz VFHHJWDGVNDFCT-OAHLLOKOSA-N 2 0 362.478 0.689 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461434 489683919 /nfs/dbraw/zinc/68/39/19/489683919.db2.gz PHNLNJXNVMFVST-ROUUACIJSA-N 2 0 369.554 0.406 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[N@@H+]3CCCOCC3)n2)CC1 ZINC000373351794 489684408 /nfs/dbraw/zinc/68/44/08/489684408.db2.gz UWOUQKMMIGVOHD-UHFFFAOYSA-N 2 0 350.467 0.994 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)n2)CC1 ZINC000373336252 489684546 /nfs/dbraw/zinc/68/45/46/489684546.db2.gz ZMCPMZSVCFWQFP-UHFFFAOYSA-N 2 0 362.478 0.690 20 0 FCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205922 489684922 /nfs/dbraw/zinc/68/49/22/489684922.db2.gz ZVGYIWLORUJOGF-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000418288487 489688655 /nfs/dbraw/zinc/68/86/55/489688655.db2.gz IGWXEIREEAJYSX-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418304179 489690154 /nfs/dbraw/zinc/69/01/54/489690154.db2.gz XJHUSNMPDSOTTN-SFHVURJKSA-N 2 0 363.506 0.892 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418398352 489695458 /nfs/dbraw/zinc/69/54/58/489695458.db2.gz CRLPWJDHHAYKMT-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418414358 489697514 /nfs/dbraw/zinc/69/75/14/489697514.db2.gz RQDBIVMORHWJTR-CVEARBPZSA-N 2 0 353.511 0.795 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418434278 489697993 /nfs/dbraw/zinc/69/79/93/489697993.db2.gz FIMLBIGEZOMZAW-OAHLLOKOSA-N 2 0 369.510 0.078 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000458794658 489703425 /nfs/dbraw/zinc/70/34/25/489703425.db2.gz MEBIBMVZZLXBLB-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469364514 489704513 /nfs/dbraw/zinc/70/45/13/489704513.db2.gz RSNRZQLVNIIIEF-OAHLLOKOSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1=CC[NH2+]CC1 ZINC000418543677 489705776 /nfs/dbraw/zinc/70/57/76/489705776.db2.gz SVLTXLNAZUIHMS-SFHVURJKSA-N 2 0 373.501 0.494 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418623416 489711937 /nfs/dbraw/zinc/71/19/37/489711937.db2.gz XEACLZALJYZYOG-AAEUAGOBSA-N 2 0 351.417 0.591 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627342 489712439 /nfs/dbraw/zinc/71/24/39/489712439.db2.gz AVZIZKZUFHASBD-PKOBYXMFSA-N 3 0 369.554 0.813 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418634921 489713302 /nfs/dbraw/zinc/71/33/02/489713302.db2.gz GJAICFKWMVGJNP-OLZOCXBDSA-N 2 0 365.444 0.900 20 0 FCADRP COCC1(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000418642715 489714366 /nfs/dbraw/zinc/71/43/66/489714366.db2.gz RZFIAUTXAPRXCL-INIZCTEOSA-N 2 0 356.511 0.395 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418662571 489716203 /nfs/dbraw/zinc/71/62/03/489716203.db2.gz DDJOCVUKZBQTCI-UXLLHSPISA-N 2 0 351.495 0.417 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1)[C@@H]1CCC[NH2+]1 ZINC000570923984 491273746 /nfs/dbraw/zinc/27/37/46/491273746.db2.gz PLDLAVDFMMAABR-SNRMKQJTSA-N 2 0 370.497 0.980 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000489608269 489720046 /nfs/dbraw/zinc/72/00/46/489720046.db2.gz UCNITYCHGFRXJH-ARFHVFGLSA-N 2 0 353.511 0.746 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[NH+]2CCN1CCC2 ZINC000430105757 489720671 /nfs/dbraw/zinc/72/06/71/489720671.db2.gz PXQAGSULXJEUHV-WOJBJXKFSA-N 2 0 372.513 0.784 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418746291 489721070 /nfs/dbraw/zinc/72/10/70/489721070.db2.gz XFMMKDIMAYLIJK-SFYZZRBRSA-N 2 0 365.522 0.794 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418738679 489721149 /nfs/dbraw/zinc/72/11/49/489721149.db2.gz YAADNCZEQFGUAS-RYQLBKOJSA-N 2 0 363.481 0.722 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000418736339 489721333 /nfs/dbraw/zinc/72/13/33/489721333.db2.gz UMTRHSRGIXLSQV-MRXNPFEDSA-N 2 0 355.527 0.993 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418757080 489723382 /nfs/dbraw/zinc/72/33/82/489723382.db2.gz HJLKUXKWTMYLOZ-INIZCTEOSA-N 2 0 351.470 0.803 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418762321 489723867 /nfs/dbraw/zinc/72/38/67/489723867.db2.gz LTOQCNPPFMGFDR-OAHLLOKOSA-N 2 0 369.460 0.942 20 0 FCADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786733 489727704 /nfs/dbraw/zinc/72/77/04/489727704.db2.gz JFGSEUJJUGETKH-KSZLIROESA-N 2 0 362.474 0.300 20 0 FCADRP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786735 489727725 /nfs/dbraw/zinc/72/77/25/489727725.db2.gz JFGSEUJJUGETKH-SQNIBIBYSA-N 2 0 362.474 0.300 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000418819683 489737042 /nfs/dbraw/zinc/73/70/42/489737042.db2.gz KDTVOJPPXZMGNT-CABCVRRESA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000418826696 489740880 /nfs/dbraw/zinc/74/08/80/489740880.db2.gz GIDQZKQGWMDHPI-MGPQQGTHSA-N 2 0 352.504 0.910 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000418825413 489741114 /nfs/dbraw/zinc/74/11/14/489741114.db2.gz FCNYUJWOHARVQC-SUMWQHHRSA-N 2 0 350.488 0.679 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000418830214 489743598 /nfs/dbraw/zinc/74/35/98/489743598.db2.gz FNWZIDNWCOCIEC-WBVHZDCISA-N 2 0 374.485 0.817 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418833282 489745199 /nfs/dbraw/zinc/74/51/99/489745199.db2.gz MYNJVNCFIYJIOQ-XQQFMLRXSA-N 2 0 368.503 0.696 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418837227 489747725 /nfs/dbraw/zinc/74/77/25/489747725.db2.gz AAHKVCQLBVTIDH-KBPBESRZSA-N 2 0 350.488 0.822 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000418837294 489747870 /nfs/dbraw/zinc/74/78/70/489747870.db2.gz AHZKMYLQQOFTOI-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838031 489748955 /nfs/dbraw/zinc/74/89/55/489748955.db2.gz ACQGMCLPYUOHTF-JSGCOSHPSA-N 2 0 354.495 0.595 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000418839659 489749631 /nfs/dbraw/zinc/74/96/31/489749631.db2.gz DHLBAGBRWRUURE-NCXUSEDFSA-N 2 0 370.497 0.963 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418839948 489750043 /nfs/dbraw/zinc/75/00/43/489750043.db2.gz DVYMRVQYZQDUGG-PBHICJAKSA-N 2 0 362.474 0.530 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000474298222 489751503 /nfs/dbraw/zinc/75/15/03/489751503.db2.gz HRJZAEDMLRZNNY-INIZCTEOSA-N 2 0 351.495 0.490 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430605417 489751795 /nfs/dbraw/zinc/75/17/95/489751795.db2.gz SSHALXBTIBUUJB-CYBMUJFWSA-N 2 0 368.503 0.935 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430612881 489753750 /nfs/dbraw/zinc/75/37/50/489753750.db2.gz UOWAWBAMAOKUFK-CYBMUJFWSA-N 2 0 368.428 0.410 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C)c1 ZINC000418847230 489753976 /nfs/dbraw/zinc/75/39/76/489753976.db2.gz HRBWRVUGJFJZJY-MRXNPFEDSA-N 2 0 364.490 0.857 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418847276 489754539 /nfs/dbraw/zinc/75/45/39/489754539.db2.gz HTFIEEOXPMWXAO-DLBZAZTESA-N 2 0 362.474 0.372 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000418848383 489754714 /nfs/dbraw/zinc/75/47/14/489754714.db2.gz LLEIVZQTMRSCSE-HOCLYGCPSA-N 2 0 360.458 0.426 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848892 489755871 /nfs/dbraw/zinc/75/58/71/489755871.db2.gz LVRMAYKQILSTPM-PXNSSMCTSA-N 2 0 358.486 0.488 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430627541 489757290 /nfs/dbraw/zinc/75/72/90/489757290.db2.gz MFUAPALFVNVKLH-OAHLLOKOSA-N 2 0 372.469 0.850 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853985 489758476 /nfs/dbraw/zinc/75/84/76/489758476.db2.gz SURFJYLLESOEPP-QZTJIDSGSA-N 2 0 360.502 0.781 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853989 489758511 /nfs/dbraw/zinc/75/85/11/489758511.db2.gz SURFJYLLESOEPP-ZWKOTPCHSA-N 2 0 360.502 0.781 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418857101 489760095 /nfs/dbraw/zinc/76/00/95/489760095.db2.gz YCULTNPKVAJECQ-RYQLBKOJSA-N 2 0 360.502 0.780 20 0 FCADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641197 489760203 /nfs/dbraw/zinc/76/02/03/489760203.db2.gz IHBGYGPVOVKCBM-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642957 489761416 /nfs/dbraw/zinc/76/14/16/489761416.db2.gz WCFLZMXNHMCZTL-HNNXBMFYSA-N 2 0 364.515 0.850 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccccc1F ZINC000430661542 489763593 /nfs/dbraw/zinc/76/35/93/489763593.db2.gz GAKKYVFUDSKQFT-INIZCTEOSA-N 2 0 362.449 0.586 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418865120 489764580 /nfs/dbraw/zinc/76/45/80/489764580.db2.gz LRLVVONVQWRPAT-XHSDSOJGSA-N 2 0 350.507 0.824 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418871593 489767573 /nfs/dbraw/zinc/76/75/73/489767573.db2.gz FEPRGHLVCOBVRV-AEFFLSMTSA-N 2 0 374.485 0.898 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)CC1 ZINC000418873920 489768738 /nfs/dbraw/zinc/76/87/38/489768738.db2.gz YPPXJCUNJBUNQN-JCYILVPMSA-N 2 0 350.507 0.999 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418875552 489769937 /nfs/dbraw/zinc/76/99/37/489769937.db2.gz KPWNOQOPMVUZIL-WMZOPIPTSA-N 2 0 374.485 0.817 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418875551 489770064 /nfs/dbraw/zinc/77/00/64/489770064.db2.gz KPWNOQOPMVUZIL-SJLPKXTDSA-N 2 0 374.485 0.817 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418877016 489771509 /nfs/dbraw/zinc/77/15/09/489771509.db2.gz NSSOWUFMMGEVND-QGZVFWFLSA-N 2 0 362.474 0.626 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418879088 489772102 /nfs/dbraw/zinc/77/21/02/489772102.db2.gz RYXBLMHZZLHEKH-NVXWUHKLSA-N 2 0 360.458 0.508 20 0 FCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418881647 489772973 /nfs/dbraw/zinc/77/29/73/489772973.db2.gz XSXAFXYKDVYDMW-ZWKOTPCHSA-N 2 0 360.502 0.781 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418880700 489773367 /nfs/dbraw/zinc/77/33/67/489773367.db2.gz PWEQZPIJIITVEM-UGUYLWEFSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883636 489774296 /nfs/dbraw/zinc/77/42/96/489774296.db2.gz VLBFRVVBSRLBLJ-NVXWUHKLSA-N 2 0 368.522 0.627 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430880599 489774392 /nfs/dbraw/zinc/77/43/92/489774392.db2.gz USSOAALCAVHPDW-HZPDHXFCSA-N 2 0 360.458 0.701 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000430867518 489774848 /nfs/dbraw/zinc/77/48/48/489774848.db2.gz KSFSLTXPVJSVGR-KRWDZBQOSA-N 2 0 360.458 0.353 20 0 FCADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430896807 489775617 /nfs/dbraw/zinc/77/56/17/489775617.db2.gz LGJJJNMDHKFRRS-HNNXBMFYSA-N 2 0 360.458 0.781 20 0 FCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430948764 489781234 /nfs/dbraw/zinc/78/12/34/489781234.db2.gz LHEVZNKJSUOUIF-OAHLLOKOSA-N 2 0 362.474 0.884 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H](C)O1 ZINC000376725413 489784191 /nfs/dbraw/zinc/78/41/91/489784191.db2.gz BFYGBVMRRWFNMR-WCXIOVBPSA-N 2 0 354.495 0.648 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013853 489785894 /nfs/dbraw/zinc/78/58/94/489785894.db2.gz KPFRCYKDEBQXMX-UHFFFAOYSA-N 2 0 352.460 0.348 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000418913170 489787861 /nfs/dbraw/zinc/78/78/61/489787861.db2.gz NTSKQOZZRMQRAC-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000459912854 489790174 /nfs/dbraw/zinc/79/01/74/489790174.db2.gz IKLLWGJRFWFYNK-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000459915607 489791311 /nfs/dbraw/zinc/79/13/11/489791311.db2.gz HNFIGGSJMWEYCG-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000418921421 489792472 /nfs/dbraw/zinc/79/24/72/489792472.db2.gz JJSZWMLKHBWLPY-GGXPGOJBSA-N 2 0 368.522 0.578 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000459917819 489792483 /nfs/dbraw/zinc/79/24/83/489792483.db2.gz JSCFIHFAMBUNIQ-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418924825 489793244 /nfs/dbraw/zinc/79/32/44/489793244.db2.gz PNTCEYAOSYSXQK-CVEARBPZSA-N 2 0 354.495 0.093 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795282 /nfs/dbraw/zinc/79/52/82/489795282.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418934125 489796332 /nfs/dbraw/zinc/79/63/32/489796332.db2.gz BNUDEQGWQIAWAB-HNAYVOBHSA-N 2 0 362.474 0.991 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000459925090 489796708 /nfs/dbraw/zinc/79/67/08/489796708.db2.gz UBZWUGUIZGXBHO-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccco1 ZINC000418935864 489796680 /nfs/dbraw/zinc/79/66/80/489796680.db2.gz DLLQKAILVPAYGQ-KDOFPFPSSA-N 2 0 350.463 0.976 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000418951829 489802454 /nfs/dbraw/zinc/80/24/54/489802454.db2.gz XZQCIPFMNXWJGF-CABCVRRESA-N 2 0 350.463 0.895 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1=CC[N@H+](C)CC1 ZINC000431463181 489805985 /nfs/dbraw/zinc/80/59/85/489805985.db2.gz GJRYAEWZIIZCAX-MRXNPFEDSA-N 2 0 365.522 0.928 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000418965413 489806343 /nfs/dbraw/zinc/80/63/43/489806343.db2.gz OVRGYUZDDSWVOF-UHFFFAOYSA-N 2 0 374.485 0.727 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000459981097 489808076 /nfs/dbraw/zinc/80/80/76/489808076.db2.gz AOZITHMHLXUFOE-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000419003654 489814495 /nfs/dbraw/zinc/81/44/95/489814495.db2.gz QQSVDVMTLQIPOQ-QZTJIDSGSA-N 2 0 358.486 0.693 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419005935 489814863 /nfs/dbraw/zinc/81/48/63/489814863.db2.gz SCIYZRLEFHFJFU-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP O=C(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000460004265 489815185 /nfs/dbraw/zinc/81/51/85/489815185.db2.gz AMJHTSMTKAZODW-DLBZAZTESA-N 2 0 364.490 0.006 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017982 489819644 /nfs/dbraw/zinc/81/96/44/489819644.db2.gz BHSZMFPBYBNCPS-BZUAXINKSA-N 2 0 350.507 0.895 20 0 FCADRP CC1(C)C[N@@H+](C2(CNC(=O)c3cn(CC[NH3+])nn3)CCCCC2)CCO1 ZINC000563976073 491281187 /nfs/dbraw/zinc/28/11/87/491281187.db2.gz FQLNZBZMXXKAAK-UHFFFAOYSA-N 2 0 364.494 0.780 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419026588 489823839 /nfs/dbraw/zinc/82/38/39/489823839.db2.gz BQCLTQFUCLOBPL-HNNXBMFYSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419030657 489825477 /nfs/dbraw/zinc/82/54/77/489825477.db2.gz UHIJLRXFIUZORW-XHSDSOJGSA-N 2 0 352.523 0.975 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419043226 489831320 /nfs/dbraw/zinc/83/13/20/489831320.db2.gz QVCVLURFKPFUOE-BBWFWOEESA-N 2 0 368.522 0.579 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H](C)C1 ZINC000419046084 489833101 /nfs/dbraw/zinc/83/31/01/489833101.db2.gz XLTUFHNTSSWAFX-HOTGVXAUSA-N 2 0 370.538 0.683 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000419045715 489833155 /nfs/dbraw/zinc/83/31/55/489833155.db2.gz WZTPNJWLGVVXMS-OAGGEKHMSA-N 2 0 356.511 0.339 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H](C)C1 ZINC000419046087 489833354 /nfs/dbraw/zinc/83/33/54/489833354.db2.gz XLTUFHNTSSWAFX-JKSUJKDBSA-N 2 0 370.538 0.683 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419047651 489834291 /nfs/dbraw/zinc/83/42/91/489834291.db2.gz UALJTDDKPILIFW-BPQIPLTHSA-N 2 0 374.485 0.433 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000460055263 489835753 /nfs/dbraw/zinc/83/57/53/489835753.db2.gz FXWYALPCZIOSNZ-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419065936 489841775 /nfs/dbraw/zinc/84/17/75/489841775.db2.gz DQBBDEAVXITHGR-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431867 489842173 /nfs/dbraw/zinc/84/21/73/489842173.db2.gz FHHAYESQAFRTDN-IRXDYDNUSA-N 2 0 365.522 0.905 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000419083040 489849202 /nfs/dbraw/zinc/84/92/02/489849202.db2.gz JUMVYCNULFXLKQ-TUVASFSCSA-N 2 0 354.495 0.199 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000460233993 489856007 /nfs/dbraw/zinc/85/60/07/489856007.db2.gz DVCVTJHLIIJUJZ-FUHWJXTLSA-N 2 0 356.511 0.489 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000555923137 491283404 /nfs/dbraw/zinc/28/34/04/491283404.db2.gz ZCEOUNZTUXEFHJ-DLBZAZTESA-N 2 0 369.554 0.221 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000419107526 489857443 /nfs/dbraw/zinc/85/74/43/489857443.db2.gz KTAXVCGGRCOPBT-CQSZACIVSA-N 2 0 372.391 0.760 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419118028 489863551 /nfs/dbraw/zinc/86/35/51/489863551.db2.gz NIMLADNECRCCSR-DZGCQCFKSA-N 2 0 354.495 0.452 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)CC(C)C ZINC000419119598 489864635 /nfs/dbraw/zinc/86/46/35/489864635.db2.gz BLDXMCIILLMPHS-HOTGVXAUSA-N 2 0 356.511 0.354 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419121094 489864935 /nfs/dbraw/zinc/86/49/35/489864935.db2.gz ABBWVYSCJCXLBU-AWEZNQCLSA-N 2 0 350.488 0.508 20 0 FCADRP CS(=O)(=O)NCc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433140599 489867352 /nfs/dbraw/zinc/86/73/52/489867352.db2.gz IMZPBITXQVMSCL-UHFFFAOYSA-N 2 0 368.503 0.878 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000433128661 489868009 /nfs/dbraw/zinc/86/80/09/489868009.db2.gz BIQVQDBLVCLVBB-MRXNPFEDSA-N 2 0 353.438 0.885 20 0 FCADRP COc1ccc(CNC(=O)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433155670 489868566 /nfs/dbraw/zinc/86/85/66/489868566.db2.gz FRFFZMSGMQNSIL-UHFFFAOYSA-N 2 0 362.474 0.631 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000419999654 489877582 /nfs/dbraw/zinc/87/75/82/489877582.db2.gz OOZOTUPSEAHSNY-INIZCTEOSA-N 2 0 352.454 0.815 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000420008575 489879488 /nfs/dbraw/zinc/87/94/88/489879488.db2.gz UPGSAIRCYBMDID-OXQOHEQNSA-N 2 0 358.486 0.965 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420010634 489880465 /nfs/dbraw/zinc/88/04/65/489880465.db2.gz FRHSUKJVHPNTFW-ULQDDVLXSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420012956 489880940 /nfs/dbraw/zinc/88/09/40/489880940.db2.gz JKEVYAZGUMLWSF-UXLLHSPISA-N 2 0 368.522 0.434 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420019057 489882052 /nfs/dbraw/zinc/88/20/52/489882052.db2.gz QONOFUXBPWULCQ-RDJZCZTQSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420012 489882451 /nfs/dbraw/zinc/88/24/51/489882451.db2.gz ILQLPKDNXZBLAU-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420025337 489883866 /nfs/dbraw/zinc/88/38/66/489883866.db2.gz BKAUGFKKEYIYHT-RRFJBIMHSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000433449840 489884350 /nfs/dbraw/zinc/88/43/50/489884350.db2.gz JGTQKLCKQIBBGB-QGZVFWFLSA-N 2 0 370.538 0.976 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030660 489887006 /nfs/dbraw/zinc/88/70/06/489887006.db2.gz GPWDWFKXPXHSTG-APIJFGDWSA-N 2 0 354.495 0.452 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000571093076 491285499 /nfs/dbraw/zinc/28/54/99/491285499.db2.gz BWRLCYFQBWNEBW-UHFFFAOYSA-N 2 0 352.504 0.178 20 0 FCADRP 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[C@H]1C ZINC000420047034 489892832 /nfs/dbraw/zinc/89/28/32/489892832.db2.gz VWHQYEQZHBQIIZ-QPSCCSFWSA-N 2 0 354.495 0.547 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000420050426 489893652 /nfs/dbraw/zinc/89/36/52/489893652.db2.gz HEKKSMYWOXKHRX-DOTOQJQBSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062009 489899325 /nfs/dbraw/zinc/89/93/25/489899325.db2.gz MJAALQOMKDVYEQ-UKRRQHHQSA-N 2 0 354.495 0.406 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420067837 489902476 /nfs/dbraw/zinc/90/24/76/489902476.db2.gz YMSIZIFGOSWVOB-INIZCTEOSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420070672 489903109 /nfs/dbraw/zinc/90/31/09/489903109.db2.gz WXAAFADIDOTPKH-MRXNPFEDSA-N 2 0 368.428 0.709 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420075457 489904575 /nfs/dbraw/zinc/90/45/75/489904575.db2.gz SMRVJANHNWNPQF-DOTOQJQBSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420092482 489909439 /nfs/dbraw/zinc/90/94/39/489909439.db2.gz GDGJENIMAHIXSK-YJBOKZPZSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097734 489910956 /nfs/dbraw/zinc/91/09/56/489910956.db2.gz AJZFFRZNUVKEBU-YOEHRIQHSA-N 2 0 364.465 0.973 20 0 FCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000476740377 489912826 /nfs/dbraw/zinc/91/28/26/489912826.db2.gz BHJCKHCRWUKMRO-CYBMUJFWSA-N 2 0 352.483 0.666 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420108245 489914776 /nfs/dbraw/zinc/91/47/76/489914776.db2.gz XAQFVJDELPLFKZ-GOSISDBHSA-N 2 0 356.470 0.993 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000461517749 489916469 /nfs/dbraw/zinc/91/64/69/489916469.db2.gz MBRNNJMZCYXYAR-UHFFFAOYSA-N 2 0 365.478 0.544 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000420112028 489916762 /nfs/dbraw/zinc/91/67/62/489916762.db2.gz XIRDKYSEDYFOPQ-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)C2)CC1 ZINC000420131085 489923885 /nfs/dbraw/zinc/92/38/85/489923885.db2.gz QXBOQTWGONNEAF-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000377576804 489923884 /nfs/dbraw/zinc/92/38/84/489923884.db2.gz GFNBHXZDOODTID-SJORKVTESA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143754 489929133 /nfs/dbraw/zinc/92/91/33/489929133.db2.gz YPJCACREWTXPIP-UHFFFAOYSA-N 2 0 362.449 0.752 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000477027089 489932495 /nfs/dbraw/zinc/93/24/95/489932495.db2.gz JJAVDPNSQVLCCK-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000434573804 489935714 /nfs/dbraw/zinc/93/57/14/489935714.db2.gz GTSSQXLUCGLSEV-CYBMUJFWSA-N 2 0 355.483 0.130 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171943 489939699 /nfs/dbraw/zinc/93/96/99/489939699.db2.gz USENZCZYJPPIBR-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420173682 489941026 /nfs/dbraw/zinc/94/10/26/489941026.db2.gz VQVDRQVHQYTAJH-UHFFFAOYSA-N 2 0 362.474 0.073 20 0 FCADRP CCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C[C@H]1c1ncc[nH]1 ZINC000477103307 489943425 /nfs/dbraw/zinc/94/34/25/489943425.db2.gz VNRSHIRJCVATKW-CABCVRRESA-N 2 0 364.494 0.461 20 0 FCADRP CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@H]1c1ncc[nH]1 ZINC000477103308 489943566 /nfs/dbraw/zinc/94/35/66/489943566.db2.gz VNRSHIRJCVATKW-GJZGRUSLSA-N 2 0 364.494 0.461 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000420201226 489950107 /nfs/dbraw/zinc/95/01/07/489950107.db2.gz NDCZBCDTWRUQIK-SJORKVTESA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[C@H](O)CN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420202809 489950487 /nfs/dbraw/zinc/95/04/87/489950487.db2.gz JWDMSBQJCMSJEW-WBVHZDCISA-N 2 0 374.485 0.078 20 0 FCADRP C[C@H](CN1CCOCC1)[NH+](C)C/C=C\C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434708620 489951449 /nfs/dbraw/zinc/95/14/49/489951449.db2.gz DARANLLVUQJDCZ-SBUVDCAVSA-N 2 0 368.566 0.848 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000571179791 491290564 /nfs/dbraw/zinc/29/05/64/491290564.db2.gz BFHSBQOAUVJZML-CABCVRRESA-N 2 0 350.467 0.854 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420210225 489953668 /nfs/dbraw/zinc/95/36/68/489953668.db2.gz VZMXNDTUADESFZ-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420215129 489954828 /nfs/dbraw/zinc/95/48/28/489954828.db2.gz RWHACKOJGMQHKV-YESZJQIVSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000556083854 491293462 /nfs/dbraw/zinc/29/34/62/491293462.db2.gz GGDOITYVCNQBCB-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH2+]C[C@H]1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000420305595 489961971 /nfs/dbraw/zinc/96/19/71/489961971.db2.gz ZAQXJNQHLSIKED-MRXNPFEDSA-N 2 0 359.474 0.904 20 0 FCADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000420365907 489968977 /nfs/dbraw/zinc/96/89/77/489968977.db2.gz SYXILWCVEWXRQP-UHFFFAOYSA-N 3 0 352.523 0.633 20 0 FCADRP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420406304 489972473 /nfs/dbraw/zinc/97/24/73/489972473.db2.gz NMSUCMFCZCPYFY-QWHCGFSZSA-N 2 0 354.476 0.579 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420434704 489975386 /nfs/dbraw/zinc/97/53/86/489975386.db2.gz KWISSGFVVACSRZ-OAHLLOKOSA-N 2 0 357.524 0.857 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000477616229 489977648 /nfs/dbraw/zinc/97/76/48/489977648.db2.gz QYYIZZBJKMZSBL-QGZVFWFLSA-N 3 0 356.559 0.147 20 0 FCADRP CC[C@H](C(=O)Nc1nn(C)cc1CNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000477806245 489991559 /nfs/dbraw/zinc/99/15/59/489991559.db2.gz LHFCJNFPPXYCGW-UONOGXRCSA-N 2 0 352.483 0.655 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015856 490000773 /nfs/dbraw/zinc/00/07/73/490000773.db2.gz MKCMFHDPIXWEDB-SPYBWZPUSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1=O ZINC000378187286 490024775 /nfs/dbraw/zinc/02/47/75/490024775.db2.gz IMSXTZMELWXSQM-VQHPVUNQSA-N 2 0 350.507 0.905 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000420840092 490025571 /nfs/dbraw/zinc/02/55/71/490025571.db2.gz NXQWBMNEWPSOOK-ROUUACIJSA-N 2 0 360.502 0.828 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378207964 490028433 /nfs/dbraw/zinc/02/84/33/490028433.db2.gz UQFGQMRNDBUYNR-GOSISDBHSA-N 2 0 350.438 0.953 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438713344 490036639 /nfs/dbraw/zinc/03/66/39/490036639.db2.gz RZDSVXRHNXRCFX-HNNXBMFYSA-N 2 0 352.483 0.659 20 0 FCADRP COc1ccc(N2C(=O)C[C@@H](N3CC[C@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283888 490039843 /nfs/dbraw/zinc/03/98/43/490039843.db2.gz PMGYKPAJCULSLJ-GXTWGEPZSA-N 2 0 355.398 0.945 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000478882863 490049520 /nfs/dbraw/zinc/04/95/20/490049520.db2.gz HQAVJJQIIMGXON-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443057334 490066286 /nfs/dbraw/zinc/06/62/86/490066286.db2.gz GHYSOZDHKZKMFV-OAHLLOKOSA-N 2 0 362.540 0.224 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@@H+]1C ZINC000506433773 490091674 /nfs/dbraw/zinc/09/16/74/490091674.db2.gz ZPGXMQSCEHOQFL-CRAIPNDOSA-N 2 0 372.513 0.801 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727330 490102054 /nfs/dbraw/zinc/10/20/54/490102054.db2.gz WMARJORJUTWQJS-YOEHRIQHSA-N 2 0 356.536 0.388 20 0 FCADRP CN(C[C@H]1CCC[NH+]1C)C(=O)CC(O)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422042256 490132480 /nfs/dbraw/zinc/13/24/80/490132480.db2.gz VSGYYVBORXKCCJ-HZPDHXFCSA-N 2 0 368.522 0.233 20 0 FCADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nn1 ZINC000390958492 490140374 /nfs/dbraw/zinc/14/03/74/490140374.db2.gz XEJQYRRNXNZBLP-MRXNPFEDSA-N 2 0 358.446 0.258 20 0 FCADRP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354121 491302962 /nfs/dbraw/zinc/30/29/62/491302962.db2.gz DPBPJQUZNLPJDH-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000422117744 490168990 /nfs/dbraw/zinc/16/89/90/490168990.db2.gz MGOZPKOSFBBJGT-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000422126482 490178010 /nfs/dbraw/zinc/17/80/10/490178010.db2.gz WVNXXPQOFINNAS-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000446998380 490182043 /nfs/dbraw/zinc/18/20/43/490182043.db2.gz DJSFPMRKUWDKPI-PKOBYXMFSA-N 2 0 357.539 0.889 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000507153976 490182314 /nfs/dbraw/zinc/18/23/14/490182314.db2.gz KZBMPBIWWLPNEQ-HIFRSBDPSA-N 2 0 354.414 0.949 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507165025 490184291 /nfs/dbraw/zinc/18/42/91/490184291.db2.gz RSRRJLQWCHGXSF-CYBMUJFWSA-N 2 0 354.414 0.806 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000466502799 490192130 /nfs/dbraw/zinc/19/21/30/490192130.db2.gz ITYJZFQYAVVRTE-FMKPAKJESA-N 2 0 351.495 0.356 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000497685983 490194826 /nfs/dbraw/zinc/19/48/26/490194826.db2.gz FHTMSHLWDOHLDV-ZACQAIPSSA-N 2 0 365.522 0.665 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425438 490222061 /nfs/dbraw/zinc/22/20/61/490222061.db2.gz BOSFBGXLJZWGTA-JKSUJKDBSA-N 2 0 353.511 0.605 20 0 FCADRP CC[N@H+](CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(C)C ZINC000521338976 490249332 /nfs/dbraw/zinc/24/93/32/490249332.db2.gz CRMKVDUFTPVOFW-UHFFFAOYSA-N 2 0 355.527 0.959 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000556363068 491311954 /nfs/dbraw/zinc/31/19/54/491311954.db2.gz SASKFLRXNADZGZ-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CNCC(F)(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498172965 490266465 /nfs/dbraw/zinc/26/64/65/490266465.db2.gz JGBIDHQTHZSALF-UHFFFAOYSA-N 2 0 359.396 0.862 20 0 FCADRP OC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000447919163 490294349 /nfs/dbraw/zinc/29/43/49/490294349.db2.gz CYVPBIVJAJMCMY-YRPNKDGESA-N 2 0 364.486 0.946 20 0 FCADRP Cc1cc(F)ccc1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000571559466 491315923 /nfs/dbraw/zinc/31/59/23/491315923.db2.gz OMSFEXXDDADHGM-UHFFFAOYSA-N 2 0 366.481 0.745 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000483333297 490309450 /nfs/dbraw/zinc/30/94/50/490309450.db2.gz LLCRLLIFHUMBJI-IKGGRYGDSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927748 490358223 /nfs/dbraw/zinc/35/82/23/490358223.db2.gz OMMZCKOAQLUKCD-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000498955921 490372171 /nfs/dbraw/zinc/37/21/71/490372171.db2.gz IXRSQUMQHXUHCP-MRXNPFEDSA-N 2 0 350.507 0.991 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000571653803 491321265 /nfs/dbraw/zinc/32/12/65/491321265.db2.gz QMHUZBKWFZWYJJ-UHFFFAOYSA-N 2 0 373.501 0.763 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCN(C)CC2)c1 ZINC000410878669 490373489 /nfs/dbraw/zinc/37/34/89/490373489.db2.gz ZDBRCDMKSVYMHO-UHFFFAOYSA-N 2 0 362.474 0.359 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCC[N@H+](C)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000571671063 491322100 /nfs/dbraw/zinc/32/21/00/491322100.db2.gz QAAIDGFHJDKQRS-ZWKOTPCHSA-N 2 0 356.474 0.988 20 0 FCADRP CC[NH+](C)CCNC(=O)[C@@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342645 490390991 /nfs/dbraw/zinc/39/09/91/490390991.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422625608 490433113 /nfs/dbraw/zinc/43/31/13/490433113.db2.gz BXFIQYAPNBTENS-RDBSUJKOSA-N 2 0 368.503 0.968 20 0 FCADRP COc1ncnc(N(C)C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548192973 490434344 /nfs/dbraw/zinc/43/43/44/490434344.db2.gz BYVRGDDYPSCDBT-UHFFFAOYSA-N 2 0 353.471 0.508 20 0 FCADRP 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 ZINC000449944332 490438953 /nfs/dbraw/zinc/43/89/53/490438953.db2.gz HLQMMFMOQKKZRX-BRSBDYLESA-N 2 0 364.534 0.974 20 0 FCADRP NC(=O)Cc1occc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000509562404 490439453 /nfs/dbraw/zinc/43/94/53/490439453.db2.gz WBAYIOMMSQDDCQ-UHFFFAOYSA-N 2 0 371.441 0.645 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571745546 491326618 /nfs/dbraw/zinc/32/66/18/491326618.db2.gz ZZFJOSNXTQHTLJ-RTBURBONSA-N 2 0 357.502 0.950 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523207878 490449968 /nfs/dbraw/zinc/44/99/68/490449968.db2.gz BWJGWVRPRHELEC-KRWDZBQOSA-N 2 0 367.538 0.912 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)C1(C)C ZINC000564795607 491327205 /nfs/dbraw/zinc/32/72/05/491327205.db2.gz GSAKEXLQSJBVEH-HNAYVOBHSA-N 2 0 369.506 0.910 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000509709216 490454526 /nfs/dbraw/zinc/45/45/26/490454526.db2.gz AKTYAJHOANLONT-CVEARBPZSA-N 2 0 356.511 0.402 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(C)(C)C ZINC000523469622 490468291 /nfs/dbraw/zinc/46/82/91/490468291.db2.gz AJDNBEAVRWGNEM-LSDHHAIUSA-N 2 0 355.527 0.992 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000509831474 490468786 /nfs/dbraw/zinc/46/87/86/490468786.db2.gz CBKWCCBYCJJWGL-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+]1CCC[C@H](CNC(=O)CSCC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000535261026 490471428 /nfs/dbraw/zinc/47/14/28/490471428.db2.gz JDRHTEAVWGGNQO-HZPDHXFCSA-N 2 0 370.563 0.636 20 0 FCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751284 490471494 /nfs/dbraw/zinc/47/14/94/490471494.db2.gz BDMGPVCZLYLOBB-CQDKDKBSSA-N 2 0 361.895 0.960 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000423059659 490531708 /nfs/dbraw/zinc/53/17/08/490531708.db2.gz MKMOWWKQXWRFFJ-BBWFWOEESA-N 2 0 366.506 0.284 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000423059660 490531760 /nfs/dbraw/zinc/53/17/60/490531760.db2.gz MKMOWWKQXWRFFJ-ZACQAIPSSA-N 2 0 366.506 0.284 20 0 FCADRP CCN(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423058241 490531914 /nfs/dbraw/zinc/53/19/14/490531914.db2.gz JAKLCZGLEUBHDS-AEFFLSMTSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000536075324 490552221 /nfs/dbraw/zinc/55/22/21/490552221.db2.gz PRGSVOQINGXXNH-UHFFFAOYSA-N 2 0 360.480 0.273 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485784848 490558261 /nfs/dbraw/zinc/55/82/61/490558261.db2.gz PDEVVLXIWGEZHH-CYBMUJFWSA-N 2 0 362.478 0.159 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000564913665 491335858 /nfs/dbraw/zinc/33/58/58/491335858.db2.gz RFCZCMHOWFMBDS-GOEBONIOSA-N 2 0 364.515 0.945 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1nc(C)no1 ZINC000511157849 490566831 /nfs/dbraw/zinc/56/68/31/490566831.db2.gz UMRMAYSVVGDYTF-OAHLLOKOSA-N 2 0 353.467 0.769 20 0 FCADRP C[C@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)C1=CC[N@H+](C)CC1 ZINC000511233367 490572251 /nfs/dbraw/zinc/57/22/51/490572251.db2.gz XQILAICNTYWSKW-KRWDZBQOSA-N 2 0 367.538 0.326 20 0 FCADRP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179863 490582380 /nfs/dbraw/zinc/58/23/80/490582380.db2.gz DXQZTOYAQKOTSC-YLJYHZDGSA-N 2 0 360.502 0.376 20 0 FCADRP C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179860 490582898 /nfs/dbraw/zinc/58/28/98/490582898.db2.gz DXQZTOYAQKOTSC-FXAWDEMLSA-N 2 0 360.502 0.376 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000486041067 490586802 /nfs/dbraw/zinc/58/68/02/490586802.db2.gz LXZNOQNRGZCEDT-OHFALNGGSA-N 2 0 350.507 0.489 20 0 FCADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550014673 490618501 /nfs/dbraw/zinc/61/85/01/490618501.db2.gz CBVCJFHBFBUDGI-IRXDYDNUSA-N 2 0 356.470 0.730 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589249 490619111 /nfs/dbraw/zinc/61/91/11/490619111.db2.gz ODWZRGRNOLICRE-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000525826551 490639054 /nfs/dbraw/zinc/63/90/54/490639054.db2.gz JJTBLAUZSJLKNC-HNNXBMFYSA-N 2 0 374.489 0.182 20 0 FCADRP C[NH+](C)C1(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000525823899 490639308 /nfs/dbraw/zinc/63/93/08/490639308.db2.gz XYDJSFKLOGGGGB-HXUWFJFHSA-N 2 0 361.486 0.850 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486517815 490642119 /nfs/dbraw/zinc/64/21/19/490642119.db2.gz NCHUNVNYIVVHNZ-WCXIOVBPSA-N 2 0 366.550 0.983 20 0 FCADRP CN(C)C(=O)N1CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000556889683 491342641 /nfs/dbraw/zinc/34/26/41/491342641.db2.gz PRTWKBBOOCVXAV-UHFFFAOYSA-N 2 0 353.511 0.714 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2nncn2C1 ZINC000550315442 490658907 /nfs/dbraw/zinc/65/89/07/490658907.db2.gz JLVZCIBZCMUIRB-INIZCTEOSA-N 2 0 369.473 0.564 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000550328606 490660722 /nfs/dbraw/zinc/66/07/22/490660722.db2.gz SPWKFYAMSSORQY-UHFFFAOYSA-N 2 0 370.563 0.922 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000564985744 491343419 /nfs/dbraw/zinc/34/34/19/491343419.db2.gz MKSVHGYNWOGJJF-AEGPPILISA-N 2 0 363.458 0.998 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)CC1 ZINC000501993728 490665222 /nfs/dbraw/zinc/66/52/22/490665222.db2.gz HEOBFZYLRLYNGR-IBGZPJMESA-N 2 0 366.550 0.754 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000550416712 490666801 /nfs/dbraw/zinc/66/68/01/490666801.db2.gz NOFMDACYSXNISW-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000512415290 490680755 /nfs/dbraw/zinc/68/07/55/490680755.db2.gz MCMGCZUBKKYNRH-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486989800 490685088 /nfs/dbraw/zinc/68/50/88/490685088.db2.gz NLTWVNNVWFHGSY-QZWWFDLISA-N 2 0 352.523 0.737 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)c2)CC1 ZINC000556987683 491346360 /nfs/dbraw/zinc/34/63/60/491346360.db2.gz KZMTWKXGDTWSPR-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@H](O)CN1CCN(C(=O)c2cc3c(ncnc3N(C)C)n2C)[C@H](C)C1 ZINC000527004274 490691445 /nfs/dbraw/zinc/69/14/45/490691445.db2.gz JGOCBMMSRWFOPR-OLZOCXBDSA-N 2 0 360.462 0.561 20 0 FCADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565033635 491347181 /nfs/dbraw/zinc/34/71/81/491347181.db2.gz PIECVVYGKKUSHI-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000527124372 490701431 /nfs/dbraw/zinc/70/14/31/490701431.db2.gz VTBZPQIACHYYBL-UHFFFAOYSA-N 2 0 354.426 0.725 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000572085346 491347858 /nfs/dbraw/zinc/34/78/58/491347858.db2.gz UYMKFVBAQUKKPW-UHFFFAOYSA-N 2 0 373.505 0.961 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000502419533 490704158 /nfs/dbraw/zinc/70/41/58/490704158.db2.gz OMPNFHCUUOJUPV-FKSLSLAPSA-N 2 0 355.523 0.642 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513242060 490716693 /nfs/dbraw/zinc/71/66/93/490716693.db2.gz XPPSHQURLGQIFE-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487596801 490720498 /nfs/dbraw/zinc/72/04/98/490720498.db2.gz KJKZNZVYPYZBKE-IRXDYDNUSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000502777031 490721248 /nfs/dbraw/zinc/72/12/48/490721248.db2.gz KVOJFNRWFJFBJW-OAHLLOKOSA-N 2 0 353.511 0.665 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000557026241 491350212 /nfs/dbraw/zinc/35/02/12/491350212.db2.gz YTZGFUDQHJZLFL-AWEZNQCLSA-N 2 0 356.511 0.448 20 0 FCADRP O=C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCC1 ZINC000487811283 490731316 /nfs/dbraw/zinc/73/13/16/490731316.db2.gz VJBIDRNVFYKAIX-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000502937491 490731478 /nfs/dbraw/zinc/73/14/78/490731478.db2.gz VWCUFPQMEUHMFS-OAHLLOKOSA-N 2 0 353.511 0.713 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccccc1F ZINC000572161226 491353260 /nfs/dbraw/zinc/35/32/60/491353260.db2.gz BKEJGGFVQSCJAQ-DUVNUKRYSA-N 2 0 358.421 0.909 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)CCCC2)CC1 ZINC000488074352 490744673 /nfs/dbraw/zinc/74/46/73/490744673.db2.gz ALUMPBWPVMRKEE-GOSISDBHSA-N 2 0 364.534 0.916 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527767804 490758797 /nfs/dbraw/zinc/75/87/97/490758797.db2.gz WMABZAYNHSGQLO-QGZVFWFLSA-N 2 0 368.522 0.994 20 0 FCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000565095999 491353034 /nfs/dbraw/zinc/35/30/34/491353034.db2.gz FGPODLNXNXUAHK-GFCCVEGCSA-N 2 0 354.476 0.722 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccccc1F ZINC000572161227 491353058 /nfs/dbraw/zinc/35/30/58/491353058.db2.gz BKEJGGFVQSCJAQ-IVMMDQJWSA-N 2 0 358.421 0.909 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000514663066 490779344 /nfs/dbraw/zinc/77/93/44/490779344.db2.gz OEHPLQILDOQWBN-OAHLLOKOSA-N 2 0 361.490 0.847 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC000565194386 491358994 /nfs/dbraw/zinc/35/89/94/491358994.db2.gz HKYQAIQFLGZJBH-LJQANCHMSA-N 2 0 352.523 0.366 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000565168081 491357522 /nfs/dbraw/zinc/35/75/22/491357522.db2.gz BJXKHXFMKHKROB-INIZCTEOSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000515310050 490817260 /nfs/dbraw/zinc/81/72/60/490817260.db2.gz LPLHDTWLAVJEOW-QZTJIDSGSA-N 2 0 363.506 0.942 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000515310052 490817455 /nfs/dbraw/zinc/81/74/55/490817455.db2.gz LPLHDTWLAVJEOW-ZWKOTPCHSA-N 2 0 363.506 0.942 20 0 FCADRP O=C(CC1(CC(=O)NCC[NH+]2CCC2)CCCC1)NCC[NH+]1CCC1 ZINC000505441656 490829585 /nfs/dbraw/zinc/82/95/85/490829585.db2.gz FVYSWQWZHWEEET-UHFFFAOYSA-N 2 0 350.507 0.971 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCSc1nnnn1C ZINC000505766331 490838987 /nfs/dbraw/zinc/83/89/87/490838987.db2.gz ODVFLLXTJJPUOK-CQSZACIVSA-N 2 0 369.539 0.567 20 0 FCADRP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506056943 490849263 /nfs/dbraw/zinc/84/92/63/490849263.db2.gz QIZRMSOXZCJKGV-UHFFFAOYSA-N 2 0 369.506 0.832 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529327189 490852905 /nfs/dbraw/zinc/85/29/05/490852905.db2.gz PARXBVYJDIANPO-OAHLLOKOSA-N 2 0 351.451 0.200 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000541210645 490855127 /nfs/dbraw/zinc/85/51/27/490855127.db2.gz AFAPQUJZWRFVJH-WBVHZDCISA-N 2 0 369.506 0.613 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000529374625 490857363 /nfs/dbraw/zinc/85/73/63/490857363.db2.gz GMZGYPLKALLFTE-INIZCTEOSA-N 2 0 353.511 0.034 20 0 FCADRP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)CC2)c1 ZINC000516297764 490859907 /nfs/dbraw/zinc/85/99/07/490859907.db2.gz MSZTYZRXCAZRGK-FQEVSTJZSA-N 2 0 371.529 0.623 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000516430662 490863458 /nfs/dbraw/zinc/86/34/58/490863458.db2.gz FJXULZPXSAKPPV-IYBDPMFKSA-N 2 0 353.511 0.476 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000516470372 490864547 /nfs/dbraw/zinc/86/45/47/490864547.db2.gz QBKOSMKGKNRLNP-CVEARBPZSA-N 2 0 361.490 0.752 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000516496067 490866059 /nfs/dbraw/zinc/86/60/59/490866059.db2.gz XZHWROJNCMYGFU-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000516635196 490871780 /nfs/dbraw/zinc/87/17/80/490871780.db2.gz QSSSJVWATUSHSC-HUUCEWRRSA-N 2 0 368.865 0.164 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000516869108 490882095 /nfs/dbraw/zinc/88/20/95/490882095.db2.gz ACNAKJANKZPXFL-CQSZACIVSA-N 2 0 360.462 0.030 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000530430167 490905483 /nfs/dbraw/zinc/90/54/83/490905483.db2.gz IIZFPXRCRTUZQM-CYBMUJFWSA-N 2 0 357.524 0.682 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSCC(=O)N1CCCCC1 ZINC000530641833 490917032 /nfs/dbraw/zinc/91/70/32/490917032.db2.gz SCGCFSLMUYZSRV-UHFFFAOYSA-N 2 0 358.552 0.684 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000518004460 490928156 /nfs/dbraw/zinc/92/81/56/490928156.db2.gz UUYRJLIMCPBZOH-HRCADAONSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000518290143 490936160 /nfs/dbraw/zinc/93/61/60/490936160.db2.gz BBLXNBBNGOQTCY-MRXNPFEDSA-N 2 0 367.538 0.959 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000518290329 490936219 /nfs/dbraw/zinc/93/62/19/490936219.db2.gz GWFUFSVNLVXCLJ-UHFFFAOYSA-N 2 0 367.538 0.912 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000518380829 490938897 /nfs/dbraw/zinc/93/88/97/490938897.db2.gz AZHLSNQBMZMUOT-HXUWFJFHSA-N 2 0 371.529 0.310 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000518440906 490941489 /nfs/dbraw/zinc/94/14/89/490941489.db2.gz WJJWLHYRXRQBPF-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252966 491365926 /nfs/dbraw/zinc/36/59/26/491365926.db2.gz FZXVTQIFIYOGPQ-HYVNUMGLSA-N 2 0 359.474 0.460 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518736175 490949626 /nfs/dbraw/zinc/94/96/26/490949626.db2.gz WFOPXOHWLQNOOL-UHFFFAOYSA-N 2 0 353.492 0.253 20 0 FCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)C(F)F ZINC000518777231 490950812 /nfs/dbraw/zinc/95/08/12/490950812.db2.gz WTBWBZBTJMAQHH-LSDHHAIUSA-N 2 0 351.401 0.900 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000519370814 490969944 /nfs/dbraw/zinc/96/99/44/490969944.db2.gz WTACMFDMOBQBAY-KRWDZBQOSA-N 2 0 361.490 0.887 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000519533017 490974563 /nfs/dbraw/zinc/97/45/63/490974563.db2.gz YRWVEAOAMPPERE-KBPBESRZSA-N 2 0 365.444 0.948 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000519567629 490976988 /nfs/dbraw/zinc/97/69/88/490976988.db2.gz MEQZICNPKFBIRX-INMHGKMJSA-N 2 0 366.506 0.297 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000519599959 490978346 /nfs/dbraw/zinc/97/83/46/490978346.db2.gz MRUWRHWARMPJCE-HOCLYGCPSA-N 2 0 354.495 0.093 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000519749626 490987652 /nfs/dbraw/zinc/98/76/52/490987652.db2.gz LDAZELRHNSOFAM-UHFFFAOYSA-N 3 0 361.490 0.223 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000532136358 490988614 /nfs/dbraw/zinc/98/86/14/490988614.db2.gz SZQCIMCLHKYITE-INIZCTEOSA-N 2 0 355.527 0.157 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000532264887 490990047 /nfs/dbraw/zinc/99/00/47/490990047.db2.gz ZMXJSEQJRGMULI-YESZJQIVSA-N 2 0 354.495 0.384 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1(C)C ZINC000569719464 491185477 /nfs/dbraw/zinc/18/54/77/491185477.db2.gz BPQRCWSCNCKJOR-FRQCXROJSA-N 2 0 352.523 0.757 20 0 FCADRP Cc1nc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1C ZINC000569758762 491189139 /nfs/dbraw/zinc/18/91/39/491189139.db2.gz SPROWZSDQZVRPO-UHFFFAOYSA-N 2 0 369.535 0.370 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000557339101 491368780 /nfs/dbraw/zinc/36/87/80/491368780.db2.gz IBOCJAVYXJTNCV-WBVHZDCISA-N 2 0 352.479 0.973 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422459 491374050 /nfs/dbraw/zinc/37/40/50/491374050.db2.gz XFMXKHWSDIOTLU-BBWFWOEESA-N 2 0 368.522 0.593 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419903 491375510 /nfs/dbraw/zinc/37/55/10/491375510.db2.gz LPFGMRVZKCZGDE-YWPYICTPSA-N 2 0 366.428 0.471 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000557555021 491382484 /nfs/dbraw/zinc/38/24/84/491382484.db2.gz QSEKWEOJWVIBMO-KRWDZBQOSA-N 2 0 368.522 0.282 20 0 FCADRP COc1ccc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000572621694 491382611 /nfs/dbraw/zinc/38/26/11/491382611.db2.gz LTADUGLAJWCXBO-OAHLLOKOSA-N 2 0 364.490 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000557572020 491383886 /nfs/dbraw/zinc/38/38/86/491383886.db2.gz KGEVFLHMUAKFGR-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000565706718 491394068 /nfs/dbraw/zinc/39/40/68/491394068.db2.gz MXOBWQZCYXKSBW-UHFFFAOYSA-N 2 0 363.481 0.948 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000565727597 491395772 /nfs/dbraw/zinc/39/57/72/491395772.db2.gz PINRFJYASHFAHZ-KRWDZBQOSA-N 2 0 367.538 0.959 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000572860392 491398127 /nfs/dbraw/zinc/39/81/27/491398127.db2.gz DFNUONSWWSPURV-KRWDZBQOSA-N 2 0 368.522 0.260 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764344 491398285 /nfs/dbraw/zinc/39/82/85/491398285.db2.gz GEJWIGCZUOWMCB-RTBURBONSA-N 2 0 359.518 0.848 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000565769287 491398402 /nfs/dbraw/zinc/39/84/02/491398402.db2.gz YPWAPTOBFTWFNT-AWEZNQCLSA-N 2 0 352.504 0.836 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884343 491399936 /nfs/dbraw/zinc/39/99/36/491399936.db2.gz ARNKFHFNJHJBAR-XQQFMLRXSA-N 2 0 364.412 0.715 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904611 491404362 /nfs/dbraw/zinc/40/43/62/491404362.db2.gz JDEKQANPOUMASC-GOEBONIOSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1[C@@H](C)[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1C ZINC000573075276 491410453 /nfs/dbraw/zinc/41/04/53/491410453.db2.gz UIONKRGDZUIQCU-RBSFLKMASA-N 2 0 371.489 0.988 20 0 FCADRP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099177 491412454 /nfs/dbraw/zinc/41/24/54/491412454.db2.gz QGIBDNBGUOUDRY-KBXCAEBGSA-N 2 0 373.501 0.537 20 0 FCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573114741 491413894 /nfs/dbraw/zinc/41/38/94/491413894.db2.gz NICVZAGKTQKROQ-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000566197811 491425063 /nfs/dbraw/zinc/42/50/63/491425063.db2.gz QOWUUZHDOYMKSI-MSOLQXFVSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000566288849 491433013 /nfs/dbraw/zinc/43/30/13/491433013.db2.gz NCURUQFPUVKXFR-BZUAXINKSA-N 2 0 364.494 0.649 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389130 493345826 /nfs/dbraw/zinc/34/58/26/493345826.db2.gz ROWSXJCYYZEXCF-HZPDHXFCSA-N 2 0 368.522 0.448 20 0 FCADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000573569072 491441323 /nfs/dbraw/zinc/44/13/23/491441323.db2.gz JCLOKDPNPXTWOH-LXZKKBNFSA-N 2 0 351.472 0.866 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000573674889 491447451 /nfs/dbraw/zinc/44/74/51/491447451.db2.gz GUQBWNXKUJQCOI-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(c2cc(N3CC[C@H](C[NH+](C)C)C3)n3ncnc3n2)C1 ZINC000558939145 491449144 /nfs/dbraw/zinc/44/91/44/491449144.db2.gz UEVLBCHMQOSJBE-JKSUJKDBSA-N 2 0 372.521 0.900 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@@H]1O ZINC000573722901 491450496 /nfs/dbraw/zinc/45/04/96/491450496.db2.gz ZLSPZBGMBRZKGX-JVSBHGNQSA-N 2 0 364.486 0.037 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000566695194 491460926 /nfs/dbraw/zinc/46/09/26/491460926.db2.gz BDQXEXJPVHRXAF-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000573952741 491464969 /nfs/dbraw/zinc/46/49/69/491464969.db2.gz PWEAVMRODCUVDG-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP COCCOc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000573950978 491465050 /nfs/dbraw/zinc/46/50/50/491465050.db2.gz GRFQYMUIAWQQLX-AWEZNQCLSA-N 2 0 351.447 0.803 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000559363414 491467288 /nfs/dbraw/zinc/46/72/88/491467288.db2.gz KLHSJJZWHQHWHP-INIZCTEOSA-N 2 0 354.495 0.015 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CC[NH+](C)CC1 ZINC000566795914 491467663 /nfs/dbraw/zinc/46/76/63/491467663.db2.gz XRJLEPMKQUAPKW-INIZCTEOSA-N 2 0 351.499 0.019 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000559396475 491470031 /nfs/dbraw/zinc/47/00/31/491470031.db2.gz NYUPRNIVMVXFEN-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000559404938 491470617 /nfs/dbraw/zinc/47/06/17/491470617.db2.gz LWADKACYAQOBDH-KRWDZBQOSA-N 2 0 362.474 0.072 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000559416724 491471050 /nfs/dbraw/zinc/47/10/50/491471050.db2.gz SPKGIHPSBVGYAP-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441096 491473312 /nfs/dbraw/zinc/47/33/12/491473312.db2.gz KDULEBHLMVSJLD-RDJZCZTQSA-N 2 0 366.506 0.060 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000559462060 491475605 /nfs/dbraw/zinc/47/56/05/491475605.db2.gz HPOWLZQTKIRCPP-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000559466186 491476082 /nfs/dbraw/zinc/47/60/82/491476082.db2.gz XPZDHXMOMCMQIC-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000574149296 491477067 /nfs/dbraw/zinc/47/70/67/491477067.db2.gz NICSHFYXEFUKFF-ZDUSSCGKSA-N 2 0 362.430 0.212 20 0 FCADRP CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124627 491487237 /nfs/dbraw/zinc/48/72/37/491487237.db2.gz NQSLKSYSHHHHCI-KURKYZTESA-N 2 0 359.470 0.805 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000567201684 491491633 /nfs/dbraw/zinc/49/16/33/491491633.db2.gz HQNQYYNCDZLFCI-OWCLPIDISA-N 2 0 353.511 0.746 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000559702549 491492637 /nfs/dbraw/zinc/49/26/37/491492637.db2.gz KNFCLXVZBQCPRQ-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398047 491493550 /nfs/dbraw/zinc/49/35/50/491493550.db2.gz ZJHXEBRFBQGVCR-CVEARBPZSA-N 2 0 363.510 0.034 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000559760931 491497161 /nfs/dbraw/zinc/49/71/61/491497161.db2.gz SFYGGNMAUGYURV-IKGGRYGDSA-N 2 0 368.522 0.450 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)C1(C)C ZINC000574451048 491497839 /nfs/dbraw/zinc/49/78/39/491497839.db2.gz ZWRJMGVVTUNDHY-SPYBWZPUSA-N 2 0 368.522 0.626 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000567345766 491500607 /nfs/dbraw/zinc/50/06/07/491500607.db2.gz SXLBNYLPKPLDHO-MRXNPFEDSA-N 2 0 374.485 0.259 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567356390 491501462 /nfs/dbraw/zinc/50/14/62/491501462.db2.gz JRQLGPMIUZDUGO-PKOBYXMFSA-N 3 0 352.523 0.805 20 0 FCADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000574549295 491504485 /nfs/dbraw/zinc/50/44/85/491504485.db2.gz TYHOGEUPVZEHFU-XHSDSOJGSA-N 2 0 352.458 0.726 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000574549429 491504500 /nfs/dbraw/zinc/50/45/00/491504500.db2.gz TZUSQAQERSPXNG-MOPGFXCFSA-N 2 0 372.513 0.865 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981666 491531132 /nfs/dbraw/zinc/53/11/32/491531132.db2.gz YSUAGEOGXLKQGO-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567815066 491531666 /nfs/dbraw/zinc/53/16/66/491531666.db2.gz VFAMNSGTDOGQAX-ZBEGNZNMSA-N 2 0 356.829 0.663 20 0 FCADRP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCOCC[NH3+])C2)cc1 ZINC000567897457 491539403 /nfs/dbraw/zinc/53/94/03/491539403.db2.gz PBDFZYLBCFANDD-INIZCTEOSA-N 2 0 355.504 0.961 20 0 FCADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000575122483 491540668 /nfs/dbraw/zinc/54/06/68/491540668.db2.gz RWIYQFLMJZBTJY-TVPLGVNVSA-N 2 0 364.534 0.962 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568059268 491551184 /nfs/dbraw/zinc/55/11/84/491551184.db2.gz GAIFPZMHYZAZJW-JKSUJKDBSA-N 2 0 351.495 0.324 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568059267 491551274 /nfs/dbraw/zinc/55/12/74/491551274.db2.gz GAIFPZMHYZAZJW-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000560793821 491557997 /nfs/dbraw/zinc/55/79/97/491557997.db2.gz QNFGODVCKSHSQI-IRXDYDNUSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288175 491566914 /nfs/dbraw/zinc/56/69/14/491566914.db2.gz WDONRKPTRPVHHZ-NRSFXHEJSA-N 2 0 371.485 0.603 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000568372876 491572112 /nfs/dbraw/zinc/57/21/12/491572112.db2.gz BISNLFGODYMZHD-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000568420335 491576243 /nfs/dbraw/zinc/57/62/43/491576243.db2.gz FSRIZJSRCLCAIG-QGZVFWFLSA-N 2 0 368.522 0.308 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000561122755 491576649 /nfs/dbraw/zinc/57/66/49/491576649.db2.gz RELNHEFYQVCXIQ-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000561174926 491580425 /nfs/dbraw/zinc/58/04/25/491580425.db2.gz FEOMYVVUELZARO-MRXNPFEDSA-N 2 0 362.474 0.448 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000577035471 491583012 /nfs/dbraw/zinc/58/30/12/491583012.db2.gz KJWHIUVODBLBLJ-INIZCTEOSA-N 2 0 353.511 0.605 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1=O ZINC000673650359 493352845 /nfs/dbraw/zinc/35/28/45/493352845.db2.gz OQJIDUYEGAZRGG-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000561239333 491587578 /nfs/dbraw/zinc/58/75/78/491587578.db2.gz BIAUVJGCPUTBSE-UHFFFAOYSA-N 2 0 360.502 0.926 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1NC(=O)CC[NH+](C)C ZINC000584422288 491590052 /nfs/dbraw/zinc/59/00/52/491590052.db2.gz RVGYAWHARGZSQB-UHFFFAOYSA-N 2 0 363.462 0.631 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425256 491590670 /nfs/dbraw/zinc/59/06/70/491590670.db2.gz ONERPFWIXPHBLW-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000568608990 491590954 /nfs/dbraw/zinc/59/09/54/491590954.db2.gz RAQMIIRAPUOWNW-GOEBONIOSA-N 2 0 351.495 0.500 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000568609344 491591506 /nfs/dbraw/zinc/59/15/06/491591506.db2.gz QSDKSCURZWPJQO-HOTGVXAUSA-N 2 0 351.495 0.357 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584460157 491593716 /nfs/dbraw/zinc/59/37/16/491593716.db2.gz HYYXZBSXSMFRDE-OWCLPIDISA-N 2 0 354.495 0.202 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000584459981 491593806 /nfs/dbraw/zinc/59/38/06/491593806.db2.gz ISXKQPMLGHFGQR-NVXWUHKLSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC(C)C1)[NH+]1CC(C)C1 ZINC000568646486 491596635 /nfs/dbraw/zinc/59/66/35/491596635.db2.gz GDUYHAXBBDRLMH-ROUUACIJSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000577218830 491604124 /nfs/dbraw/zinc/60/41/24/491604124.db2.gz LAIOKZGSKAJVJF-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CS(=O)(=O)N(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000577270915 491608640 /nfs/dbraw/zinc/60/86/40/491608640.db2.gz QKYQERNVUFGLEY-SFHVURJKSA-N 2 0 366.531 0.428 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)c2ccn(CC[NH+](C)C)n2)ccn1 ZINC000576410421 491612518 /nfs/dbraw/zinc/61/25/18/491612518.db2.gz LAMJQOFHHJEGGM-UHFFFAOYSA-N 2 0 360.462 0.710 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000577359770 491614702 /nfs/dbraw/zinc/61/47/02/491614702.db2.gz XQGOTDWEEIYZOS-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576462311 491616702 /nfs/dbraw/zinc/61/67/02/491616702.db2.gz VTNRXJAJHNZHRE-GOSISDBHSA-N 2 0 361.490 0.992 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3cn(CCCC[NH3+])nn3)ccn2)CC1 ZINC000577390321 491618020 /nfs/dbraw/zinc/61/80/20/491618020.db2.gz BYTZXRPSCJSVPA-UHFFFAOYSA-N 2 0 372.477 0.094 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000561674744 491624108 /nfs/dbraw/zinc/62/41/08/491624108.db2.gz GFNOLQPMJIVIOP-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000576545853 491624126 /nfs/dbraw/zinc/62/41/26/491624126.db2.gz BMRBRVPOTUAMLA-IRXDYDNUSA-N 2 0 368.522 0.281 20 0 FCADRP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000561685769 491625081 /nfs/dbraw/zinc/62/50/81/491625081.db2.gz FFOSZVGRUBNQDS-INIZCTEOSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569002302 491626660 /nfs/dbraw/zinc/62/66/60/491626660.db2.gz ASJHJHOKMIZYGD-XUWVNRHRSA-N 2 0 368.522 0.576 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000569025145 491628313 /nfs/dbraw/zinc/62/83/13/491628313.db2.gz BWWFBTIEHZROJA-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562971 491632824 /nfs/dbraw/zinc/63/28/24/491632824.db2.gz YPQHYTMRMSVGBP-WMLDXEAASA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000577672585 491641779 /nfs/dbraw/zinc/64/17/79/491641779.db2.gz XQKPTHMNPIOANN-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000569251165 491646291 /nfs/dbraw/zinc/64/62/91/491646291.db2.gz JPCGDCXKOSKXMA-HOCLYGCPSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849743 491650509 /nfs/dbraw/zinc/65/05/09/491650509.db2.gz DJPBWHOLFRYOLJ-XWTMOSNGSA-N 2 0 374.460 0.822 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849741 491650602 /nfs/dbraw/zinc/65/06/02/491650602.db2.gz DJPBWHOLFRYOLJ-MHORFTMASA-N 2 0 374.460 0.822 20 0 FCADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000569377213 491657326 /nfs/dbraw/zinc/65/73/26/491657326.db2.gz RJAUWNBLAGIYNK-HNNXBMFYSA-N 2 0 361.490 0.789 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668464456 493358979 /nfs/dbraw/zinc/35/89/79/493358979.db2.gz DETATQVGEUWDFQ-INIZCTEOSA-N 2 0 367.538 0.118 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000569457895 491662610 /nfs/dbraw/zinc/66/26/10/491662610.db2.gz QIFOLFIQRAHGQL-GOSISDBHSA-N 2 0 374.485 0.332 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cn2c(n1)SCC2 ZINC000577927137 491663137 /nfs/dbraw/zinc/66/31/37/491663137.db2.gz UYRKJBNZIHIORZ-UHFFFAOYSA-N 2 0 354.524 0.666 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510056 491678725 /nfs/dbraw/zinc/67/87/25/491678725.db2.gz YEELJCDLLXGSAT-BFYDXBDKSA-N 2 0 350.507 0.964 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542947 491679462 /nfs/dbraw/zinc/67/94/62/491679462.db2.gz IQYZHOZVKRYLDK-IRXDYDNUSA-N 2 0 350.507 0.907 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000578846205 491685658 /nfs/dbraw/zinc/68/56/58/491685658.db2.gz DRBMRCBYKVVHRP-INIZCTEOSA-N 2 0 374.485 0.480 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253190 491694189 /nfs/dbraw/zinc/69/41/89/491694189.db2.gz LBXLKBHFWXAPSQ-XJKSGUPXSA-N 2 0 367.453 0.296 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254195 491694208 /nfs/dbraw/zinc/69/42/08/491694208.db2.gz AKLAGMKDFIASLN-HUUCEWRRSA-N 2 0 355.483 0.597 20 0 FCADRP CCN1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@H]1C ZINC000579364524 491696542 /nfs/dbraw/zinc/69/65/42/491696542.db2.gz LURBQKVNLHYJDF-HUUCEWRRSA-N 2 0 361.490 0.819 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000579392504 491697014 /nfs/dbraw/zinc/69/70/14/491697014.db2.gz CSLMTZQDJMBMTO-IRXDYDNUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCCCC1 ZINC000579394439 491697272 /nfs/dbraw/zinc/69/72/72/491697272.db2.gz NJMUZJLEMOAVSE-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@@]1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]1 ZINC000579453021 491697998 /nfs/dbraw/zinc/69/79/98/491697998.db2.gz VKTLKUHNNCRESZ-SFHVURJKSA-N 2 0 354.495 0.509 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579700056 491703230 /nfs/dbraw/zinc/70/32/30/491703230.db2.gz LOPWFJALXSTXKN-XLMAVXFVSA-N 2 0 360.502 0.530 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930078 491709528 /nfs/dbraw/zinc/70/95/28/491709528.db2.gz QESNOVPJNGBRCZ-SJLPKXTDSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCCC1 ZINC000584669957 491709833 /nfs/dbraw/zinc/70/98/33/491709833.db2.gz VSRQMEOGPUHLED-INIZCTEOSA-N 2 0 368.522 0.140 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000579952821 491710820 /nfs/dbraw/zinc/71/08/20/491710820.db2.gz QWDONJWAUWJYGQ-GJZGRUSLSA-N 2 0 364.490 0.827 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000580058041 491715310 /nfs/dbraw/zinc/71/53/10/491715310.db2.gz RTSRTEIUZZAXMG-SJORKVTESA-N 2 0 366.506 0.300 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000580058038 491715417 /nfs/dbraw/zinc/71/54/17/491715417.db2.gz RTSRTEIUZZAXMG-DLBZAZTESA-N 2 0 366.506 0.300 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584828827 491716014 /nfs/dbraw/zinc/71/60/14/491716014.db2.gz CZOZIQVEKMNUQJ-UONOGXRCSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580118247 491718380 /nfs/dbraw/zinc/71/83/80/491718380.db2.gz AFTQYEBZSVPQID-OIISXLGYSA-N 2 0 366.506 0.033 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000668487135 493362144 /nfs/dbraw/zinc/36/21/44/493362144.db2.gz VPBGTKFDNOAGLO-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000580651266 491740229 /nfs/dbraw/zinc/74/02/29/491740229.db2.gz XWFAZNQBARZUCZ-UHFFFAOYSA-N 2 0 362.474 0.569 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000580765387 491744438 /nfs/dbraw/zinc/74/44/38/491744438.db2.gz IWZGBOBPAQHTOG-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882634 491750107 /nfs/dbraw/zinc/75/01/07/491750107.db2.gz GFAJBRMXPCQVMT-MRVWCRGKSA-N 2 0 363.428 0.604 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589219133 491757680 /nfs/dbraw/zinc/75/76/80/491757680.db2.gz BRYBOQRYNJHHQT-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000581146427 491761424 /nfs/dbraw/zinc/76/14/24/491761424.db2.gz SOXMWAHHSFHDNY-MRXNPFEDSA-N 2 0 368.522 0.140 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581500304 491775372 /nfs/dbraw/zinc/77/53/72/491775372.db2.gz MXOUUOGRAIWUSN-RBUKOAKNSA-N 2 0 372.513 0.878 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000581613737 491780198 /nfs/dbraw/zinc/78/01/98/491780198.db2.gz UYLCJCLJGYUNPZ-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000581721862 491784247 /nfs/dbraw/zinc/78/42/47/491784247.db2.gz TUEJZTKSEFJMDD-HOTGVXAUSA-N 2 0 367.490 0.669 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583932 493363903 /nfs/dbraw/zinc/36/39/03/493363903.db2.gz GPORDYSGOUOMMZ-CABCVRRESA-N 2 0 353.511 0.746 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)C2)nn1 ZINC000581883473 491788781 /nfs/dbraw/zinc/78/87/81/491788781.db2.gz IPWRIHHVIBJAJO-SFHVURJKSA-N 2 0 354.458 0.902 20 0 FCADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000581933363 491790839 /nfs/dbraw/zinc/79/08/39/491790839.db2.gz PGSTVZGNPJRCKS-UHFFFAOYSA-N 2 0 361.490 0.628 20 0 FCADRP COC[C@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000582000273 491793705 /nfs/dbraw/zinc/79/37/05/491793705.db2.gz GHQZEHPCMRDJDG-FQEVSTJZSA-N 2 0 360.502 0.941 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000582003746 491793774 /nfs/dbraw/zinc/79/37/74/491793774.db2.gz XLAFJBGKJLAKIN-HUUCEWRRSA-N 2 0 356.511 0.578 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000582003747 491793961 /nfs/dbraw/zinc/79/39/61/491793961.db2.gz XLAFJBGKJLAKIN-LSDHHAIUSA-N 2 0 356.511 0.578 20 0 FCADRP [NH3+]C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000582125245 491799114 /nfs/dbraw/zinc/79/91/14/491799114.db2.gz KXRWXZDVGIUNRW-QGZVFWFLSA-N 2 0 368.522 0.187 20 0 FCADRP O=C(CC[NH2+]C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582132789 491799452 /nfs/dbraw/zinc/79/94/52/491799452.db2.gz YLWZTBNRAXOQED-INIZCTEOSA-N 2 0 374.489 0.540 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000582170826 491800933 /nfs/dbraw/zinc/80/09/33/491800933.db2.gz XJCIHXRUBQMRPC-UHFFFAOYSA-N 2 0 353.511 0.226 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582231544 491803160 /nfs/dbraw/zinc/80/31/60/491803160.db2.gz NHOZSDSDIFSRJD-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000582235621 491803368 /nfs/dbraw/zinc/80/33/68/491803368.db2.gz IFSBSRRQTHRVNL-SQGPQFPESA-N 2 0 356.470 0.494 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC1=O ZINC000582244170 491804137 /nfs/dbraw/zinc/80/41/37/491804137.db2.gz OCDYIVUDQYYERG-ZDUSSCGKSA-N 2 0 365.503 0.959 20 0 FCADRP C[NH+](C)CCCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591538700 491807697 /nfs/dbraw/zinc/80/76/97/491807697.db2.gz KXVZBNUULSHXRC-UHFFFAOYSA-N 2 0 363.510 0.630 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000591586488 491809718 /nfs/dbraw/zinc/80/97/18/491809718.db2.gz MGCLHJUCZBEZOG-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000582595438 491819095 /nfs/dbraw/zinc/81/90/95/491819095.db2.gz CWSZRUAWXDGENO-HMQMGEFJSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668501086 493365390 /nfs/dbraw/zinc/36/53/90/493365390.db2.gz IZSDVYMFAVEDDY-DOTOQJQBSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740279 491824785 /nfs/dbraw/zinc/82/47/85/491824785.db2.gz KDZMEEVYOTWVGY-SUMWQHHRSA-N 2 0 354.520 0.140 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]21 ZINC000582846038 491829084 /nfs/dbraw/zinc/82/90/84/491829084.db2.gz UVSIKWDPIOPUPP-IXDOHACOSA-N 2 0 350.507 0.955 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C(C)C ZINC000582978895 491835019 /nfs/dbraw/zinc/83/50/19/491835019.db2.gz YBLYMKWPHYGJNC-QGZVFWFLSA-N 2 0 370.538 0.839 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000583226803 491840610 /nfs/dbraw/zinc/84/06/10/491840610.db2.gz SYBHOEKYUJRMKR-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH2+]C[C@@](C)(O)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000583327466 491842424 /nfs/dbraw/zinc/84/24/24/491842424.db2.gz PDBASOFEGQQACX-LJQANCHMSA-N 2 0 350.507 0.719 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434842 491844742 /nfs/dbraw/zinc/84/47/42/491844742.db2.gz GHNRWGJPFWTTNH-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467619 491845511 /nfs/dbraw/zinc/84/55/11/491845511.db2.gz JLLVJOMCZZQANO-WBVHZDCISA-N 2 0 362.518 0.943 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583592442 491848357 /nfs/dbraw/zinc/84/83/57/491848357.db2.gz IVJSAGHTZJFQMA-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](C)C[C@H](O)CN1C[C@H](C)N(C[C@@H](O)C[N@@H+](C)CC)CC1(C)C ZINC000583761301 491851525 /nfs/dbraw/zinc/85/15/25/491851525.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 2 0 358.571 0.396 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802434 491852142 /nfs/dbraw/zinc/85/21/42/491852142.db2.gz IIOFXCAKYTUDAJ-YYIAUSFCSA-N 2 0 364.490 0.099 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000583939448 491855086 /nfs/dbraw/zinc/85/50/86/491855086.db2.gz NQGTWJRSYNCLBR-UHFFFAOYSA-N 2 0 372.473 1.126 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008466 491856531 /nfs/dbraw/zinc/85/65/31/491856531.db2.gz SRWKCQWRFQMCQY-MAUKXSAKSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000584147157 491859544 /nfs/dbraw/zinc/85/95/44/491859544.db2.gz PCPWIXOQTOFGRL-JXFKEZNVSA-N 2 0 371.485 0.721 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594988080 491875587 /nfs/dbraw/zinc/87/55/87/491875587.db2.gz CGLYRPCBHZHFQE-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(F)(F)F)[NH+](C)C ZINC000612464705 491921652 /nfs/dbraw/zinc/92/16/52/491921652.db2.gz MYXVMQCAOYVENM-WOPDTQHZSA-N 2 0 354.417 0.830 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546003 491931275 /nfs/dbraw/zinc/93/12/75/491931275.db2.gz OFHGNGSZQMRSIP-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546984 491932108 /nfs/dbraw/zinc/93/21/08/491932108.db2.gz XRYQXGZMUWOICU-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546985 491932476 /nfs/dbraw/zinc/93/24/76/491932476.db2.gz XRYQXGZMUWOICU-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@]1(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878747 491956442 /nfs/dbraw/zinc/95/64/42/491956442.db2.gz MNVJQSVKHYWGPA-FXAWDEMLSA-N 2 0 373.501 0.935 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)CC[NH2+]CC1 ZINC000602020840 491957645 /nfs/dbraw/zinc/95/76/45/491957645.db2.gz OFLJHMARGZMSJM-CQSZACIVSA-N 2 0 361.508 0.323 20 0 FCADRP O=C(NC1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911835 491958272 /nfs/dbraw/zinc/95/82/72/491958272.db2.gz QGZQRBVMHLJHOA-AWEZNQCLSA-N 2 0 361.494 0.460 20 0 FCADRP [NH3+][C@H](CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612914485 491958653 /nfs/dbraw/zinc/95/86/53/491958653.db2.gz FDKROKQFGWSDBV-LSDHHAIUSA-N 2 0 361.494 0.446 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000595894682 491959958 /nfs/dbraw/zinc/95/99/58/491959958.db2.gz YLMVPKNRUNGTMS-JYJNAYRXSA-N 2 0 353.463 0.369 20 0 FCADRP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896741 491960066 /nfs/dbraw/zinc/96/00/66/491960066.db2.gz WYCIKPJPXWRKRS-FZKCQIBNSA-N 2 0 353.463 0.369 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC12CC[NH2+]CC2)NCC[NH+]1CCCCCC1 ZINC000612982421 491960638 /nfs/dbraw/zinc/96/06/38/491960638.db2.gz JENMOSNNMGKEEA-HNNXBMFYSA-N 2 0 351.495 0.420 20 0 FCADRP CNC(=O)NC(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595906074 491961275 /nfs/dbraw/zinc/96/12/75/491961275.db2.gz WEDCCNGCJZSDOA-UHFFFAOYSA-N 2 0 362.478 0.902 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967150 492007414 /nfs/dbraw/zinc/00/74/14/492007414.db2.gz SOHBIMPCQQNSLQ-BZUAXINKSA-N 2 0 354.495 0.996 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000597460185 492039819 /nfs/dbraw/zinc/03/98/19/492039819.db2.gz ISFXAQHDLMFPEC-KRWDZBQOSA-N 2 0 365.522 0.713 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653345 492066767 /nfs/dbraw/zinc/06/67/67/492066767.db2.gz QIKQOWMZSJPQMM-DLBZAZTESA-N 2 0 353.511 0.034 20 0 FCADRP CCNC(=O)COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000607167671 492140083 /nfs/dbraw/zinc/14/00/83/492140083.db2.gz DMQAFMAMVYQQKS-UHFFFAOYSA-N 2 0 365.474 0.756 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4nn(C)c(=O)cc4C3)C2)CC1 ZINC000608685872 492186377 /nfs/dbraw/zinc/18/63/77/492186377.db2.gz GWZBQHZRBJFIRT-OAHLLOKOSA-N 2 0 374.489 0.017 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659864 492233245 /nfs/dbraw/zinc/23/32/45/492233245.db2.gz GKOJIZLMEJYRQF-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659865 492233348 /nfs/dbraw/zinc/23/33/48/492233348.db2.gz GKOJIZLMEJYRQF-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000610250145 492239426 /nfs/dbraw/zinc/23/94/26/492239426.db2.gz BKFYHWFHIMRKPQ-UAFMIMERSA-N 2 0 368.566 0.557 20 0 FCADRP COC(=O)c1c(C)cccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000611018835 492275328 /nfs/dbraw/zinc/27/53/28/492275328.db2.gz SNOBHZVVRIUYFP-UHFFFAOYSA-N 2 0 371.503 0.896 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427499 492291587 /nfs/dbraw/zinc/29/15/87/492291587.db2.gz GYMXOLUDGAEUQZ-DOTOQJQBSA-N 2 0 350.507 0.966 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000654450172 492304991 /nfs/dbraw/zinc/30/49/91/492304991.db2.gz DCRJCZKXNPRSLO-IKGGRYGDSA-N 2 0 365.522 0.890 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627468887 492307898 /nfs/dbraw/zinc/30/78/98/492307898.db2.gz GJNLZIKXDGWTCI-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470114 492309196 /nfs/dbraw/zinc/30/91/96/492309196.db2.gz LQOJNESYPIYSMA-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568104 492315827 /nfs/dbraw/zinc/31/58/27/492315827.db2.gz GVWGZMUMKXCVCM-QGZVFWFLSA-N 2 0 368.522 0.234 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596994 492332101 /nfs/dbraw/zinc/33/21/01/492332101.db2.gz CINCZCYTBVBALW-CIRFHOKZSA-N 2 0 358.486 0.819 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000634271675 492332399 /nfs/dbraw/zinc/33/23/99/492332399.db2.gz VMSSZEHHGGUENT-XHSDSOJGSA-N 2 0 351.495 0.418 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253661 492345097 /nfs/dbraw/zinc/34/50/97/492345097.db2.gz DXZMBLZSBTUDSJ-WMZOPIPTSA-N 2 0 358.486 0.835 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706205 492347491 /nfs/dbraw/zinc/34/74/91/492347491.db2.gz FNWURBSDWJWGSP-OTWHNJEPSA-N 2 0 359.470 0.555 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642330476 492351612 /nfs/dbraw/zinc/35/16/12/492351612.db2.gz LRTJBCNSVDWVOR-HUUCEWRRSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437828 492357953 /nfs/dbraw/zinc/35/79/53/492357953.db2.gz CHZONMKWGHDVQK-SMDDNHRTSA-N 2 0 372.391 0.859 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000642439517 492357979 /nfs/dbraw/zinc/35/79/79/492357979.db2.gz KHYJSYKKVCRUTD-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642538009 492362666 /nfs/dbraw/zinc/36/26/66/492362666.db2.gz YOTMYZHEBAXKJD-RDJZCZTQSA-N 2 0 374.485 0.454 20 0 FCADRP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771029 492368029 /nfs/dbraw/zinc/36/80/29/492368029.db2.gz GJDPGAIDFMYMFM-YBKUAAOGSA-N 2 0 361.490 0.123 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642640209 492368087 /nfs/dbraw/zinc/36/80/87/492368087.db2.gz PGNSZNXUPBAPSY-WBVHZDCISA-N 2 0 368.522 0.435 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000647831150 492369053 /nfs/dbraw/zinc/36/90/53/492369053.db2.gz HFNZMRRPFPNIJI-FPCVCCKLSA-N 2 0 354.495 0.105 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000642643724 492369139 /nfs/dbraw/zinc/36/91/39/492369139.db2.gz AJONIUZBXABFDF-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642680341 492372282 /nfs/dbraw/zinc/37/22/82/492372282.db2.gz ZECHYOSGVAICCN-GUDVDZBRSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699641 492375383 /nfs/dbraw/zinc/37/53/83/492375383.db2.gz DMQXSWORQAGIPB-QAPCUYQASA-N 2 0 358.486 0.881 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642733005 492383213 /nfs/dbraw/zinc/38/32/13/492383213.db2.gz PRIPEYGEECMIGF-GOSISDBHSA-N 2 0 358.486 0.809 20 0 FCADRP C[NH+](C)CCNC(=O)Cc1c(Cl)cccc1C(=O)NCC[NH+](C)C ZINC000635069898 492386012 /nfs/dbraw/zinc/38/60/12/492386012.db2.gz RTFMNHOIGFNHTF-UHFFFAOYSA-N 2 0 354.882 0.852 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCSC1 ZINC000642768981 492387537 /nfs/dbraw/zinc/38/75/37/492387537.db2.gz ZZAKQFUCXKEKKK-SFHVURJKSA-N 2 0 368.547 0.532 20 0 FCADRP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000647967709 492389479 /nfs/dbraw/zinc/38/94/79/492389479.db2.gz XACDSZGUJKXGTB-CEXWTWQISA-N 2 0 358.571 0.395 20 0 FCADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977762 492390291 /nfs/dbraw/zinc/39/02/91/492390291.db2.gz HFUZVWHXIJKPAV-HOTGVXAUSA-N 2 0 374.551 0.096 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976679 492390367 /nfs/dbraw/zinc/39/03/67/492390367.db2.gz RVZAHGCPERDCCS-PVAVHDDUSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642787237 492391915 /nfs/dbraw/zinc/39/19/15/492391915.db2.gz YNOJHJYCPJBMAW-SJLPKXTDSA-N 2 0 371.485 0.625 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cn2)CC1 ZINC000635099836 492392951 /nfs/dbraw/zinc/39/29/51/492392951.db2.gz OKYYSIVRJGXJTB-YOEHRIQHSA-N 2 0 374.489 0.641 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000642808948 492396920 /nfs/dbraw/zinc/39/69/20/492396920.db2.gz LSAQJKHXACRDEA-WBVHZDCISA-N 2 0 362.449 0.584 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905471 492400579 /nfs/dbraw/zinc/40/05/79/492400579.db2.gz NIRHPNIPGGJLCX-AWEZNQCLSA-N 2 0 352.504 0.897 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000642919166 492404181 /nfs/dbraw/zinc/40/41/81/492404181.db2.gz QOSFVOMDRNRNBZ-UHFFFAOYSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973556 492409451 /nfs/dbraw/zinc/40/94/51/492409451.db2.gz DNJOFGKGVIVGPT-VPWXQRGCSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979904 492409466 /nfs/dbraw/zinc/40/94/66/492409466.db2.gz OOQRSAQGYPLXKR-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@H]21 ZINC000642982014 492410012 /nfs/dbraw/zinc/41/00/12/492410012.db2.gz NSHKIMVRLLLEPJ-SJLPKXTDSA-N 2 0 356.470 0.849 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984283 492411479 /nfs/dbraw/zinc/41/14/79/492411479.db2.gz BXICLCQMLURPPB-BPQIPLTHSA-N 2 0 358.486 0.976 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000643013072 492414057 /nfs/dbraw/zinc/41/40/57/492414057.db2.gz SIXZOSJIIBRQRI-IXNMUODESA-N 2 0 374.529 0.809 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838218 492421166 /nfs/dbraw/zinc/42/11/66/492421166.db2.gz ABEXMXMCBPGSPU-FXAWDEMLSA-N 2 0 358.486 0.965 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838221 492421662 /nfs/dbraw/zinc/42/16/62/492421662.db2.gz ABEXMXMCBPGSPU-YLJYHZDGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621838780 492422447 /nfs/dbraw/zinc/42/24/47/492422447.db2.gz JDJOICSSXUHRJX-ZRGWGRIASA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621841384 492423203 /nfs/dbraw/zinc/42/32/03/492423203.db2.gz UYZISIRUPUGUCQ-OXJNMPFZSA-N 2 0 374.485 0.583 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621843241 492423689 /nfs/dbraw/zinc/42/36/89/492423689.db2.gz BIFGTUADUIPDFU-LQWHRVPQSA-N 2 0 370.497 0.965 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843922 492424308 /nfs/dbraw/zinc/42/43/08/492424308.db2.gz NLDYFEUYNKRSQD-MDZRGWNJSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843921 492424705 /nfs/dbraw/zinc/42/47/05/492424705.db2.gz NLDYFEUYNKRSQD-JTDSTZFVSA-N 2 0 350.507 0.955 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000627980580 492431499 /nfs/dbraw/zinc/43/14/99/492431499.db2.gz PFFKWENBRFEYQC-QGZVFWFLSA-N 2 0 362.474 0.650 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655449905 492443910 /nfs/dbraw/zinc/44/39/10/492443910.db2.gz URYBZSAVFAQZHN-PXNSSMCTSA-N 2 0 372.517 0.885 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000643419290 492454474 /nfs/dbraw/zinc/45/44/74/492454474.db2.gz HQOBHRJDUVRURX-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551875 492454833 /nfs/dbraw/zinc/45/48/33/492454833.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 2 0 367.538 0.301 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557279 492457615 /nfs/dbraw/zinc/45/76/15/492457615.db2.gz WATKJMWJWUXDKA-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635526212 492464316 /nfs/dbraw/zinc/46/43/16/492464316.db2.gz IAHHZVLYPJPTPN-SJORKVTESA-N 2 0 357.462 0.996 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)CC[NH+]1C ZINC000648896553 492471434 /nfs/dbraw/zinc/47/14/34/492471434.db2.gz JGNIWIMUUCFTHU-KLHDSHLOSA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)C1 ZINC000635570926 492475020 /nfs/dbraw/zinc/47/50/20/492475020.db2.gz PBCNPQDUOMMGAN-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000643484575 492477914 /nfs/dbraw/zinc/47/79/14/492477914.db2.gz BYLAJBRGLNMCGG-KRWDZBQOSA-N 2 0 358.486 0.850 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643483678 492478009 /nfs/dbraw/zinc/47/80/09/492478009.db2.gz BHWPOCVDIVWOHU-IPMKNSEASA-N 2 0 370.497 0.930 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484267 492478164 /nfs/dbraw/zinc/47/81/64/492478164.db2.gz MIIPZNNZSWQJBQ-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484269 492478279 /nfs/dbraw/zinc/47/82/79/492478279.db2.gz MIIPZNNZSWQJBQ-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643486718 492479133 /nfs/dbraw/zinc/47/91/33/492479133.db2.gz FDNMZOOEBLPIMH-WBVHZDCISA-N 2 0 368.522 0.532 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000643486954 492479147 /nfs/dbraw/zinc/47/91/47/492479147.db2.gz LTCRRNOWBQECLX-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643490261 492479996 /nfs/dbraw/zinc/47/99/96/492479996.db2.gz IYZQEXLHRCDJDN-HZPDHXFCSA-N 2 0 356.511 0.387 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000643494317 492481583 /nfs/dbraw/zinc/48/15/83/492481583.db2.gz QIUUZQVHILCFEG-GOEBONIOSA-N 2 0 366.462 0.053 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000643504715 492483445 /nfs/dbraw/zinc/48/34/45/492483445.db2.gz BBLDPGBJDPSASJ-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000643503479 492483812 /nfs/dbraw/zinc/48/38/12/492483812.db2.gz DKHLBUWGRXATCV-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000643511180 492485742 /nfs/dbraw/zinc/48/57/42/492485742.db2.gz LSPXBYRVSWVMJD-MRXNPFEDSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CCO1 ZINC000643524297 492489776 /nfs/dbraw/zinc/48/97/76/492489776.db2.gz DWMFXAHVUOBTGQ-UKRRQHHQSA-N 2 0 368.503 0.213 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531754 492491058 /nfs/dbraw/zinc/49/10/58/492491058.db2.gz GHAMHPKMZARPDJ-QZTJIDSGSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643531850 492492306 /nfs/dbraw/zinc/49/23/06/492492306.db2.gz PRYRZVSUDGSPAK-NQIIRXRSSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000643531858 492492471 /nfs/dbraw/zinc/49/24/71/492492471.db2.gz QOGBIBJHEZVKRJ-JZXOWHBKSA-N 2 0 358.486 0.928 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643545299 492496136 /nfs/dbraw/zinc/49/61/36/492496136.db2.gz XKTCRTDNKNHFSY-FJIDUMEYSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000655958877 492497508 /nfs/dbraw/zinc/49/75/08/492497508.db2.gz OWLIPJLJXZLMEM-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000635775227 492503556 /nfs/dbraw/zinc/50/35/56/492503556.db2.gz KTJFFUPLCPVFQV-UHFFFAOYSA-N 2 0 369.506 0.031 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c2ccccc2O1 ZINC000649347460 492542425 /nfs/dbraw/zinc/54/24/25/492542425.db2.gz YOAICBFHWWKNNQ-CABCVRRESA-N 2 0 360.458 0.682 20 0 FCADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351822 492543895 /nfs/dbraw/zinc/54/38/95/492543895.db2.gz VICIUASEVLIDLP-GJZGRUSLSA-N 2 0 364.465 0.991 20 0 FCADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000649409022 492551273 /nfs/dbraw/zinc/55/12/73/492551273.db2.gz ZBKDTBASDVWYGO-UHFFFAOYSA-N 2 0 358.490 0.732 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000636282401 492575702 /nfs/dbraw/zinc/57/57/02/492575702.db2.gz KUDKEAOTRIZODK-RZFLPCETSA-N 2 0 351.491 0.950 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656355407 492610481 /nfs/dbraw/zinc/61/04/81/492610481.db2.gz KSSCCSLICIZEHL-NCOADZHNSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)CC1 ZINC000643961699 492614487 /nfs/dbraw/zinc/61/44/87/492614487.db2.gz CZKXQUVCOQVVLG-KSZLIROESA-N 2 0 352.523 0.553 20 0 FCADRP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC000624256081 492631469 /nfs/dbraw/zinc/63/14/69/492631469.db2.gz ABQRNVZHITXKSR-UHFFFAOYSA-N 2 0 356.434 0.154 20 0 FCADRP CN(C)S(=O)(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000629549363 492643654 /nfs/dbraw/zinc/64/36/54/492643654.db2.gz ULXVWRCAKWZXLT-UHFFFAOYSA-N 2 0 369.535 0.948 20 0 FCADRP CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699407 492643696 /nfs/dbraw/zinc/64/36/96/492643696.db2.gz LIYVWRUKVDUTII-XLIONFOSSA-N 2 0 374.485 0.884 20 0 FCADRP COCCCS(=O)(=O)NCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590787 492657994 /nfs/dbraw/zinc/65/79/94/492657994.db2.gz OMUYSKQZQWRYKN-INIZCTEOSA-N 2 0 363.524 0.033 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000644194634 492665493 /nfs/dbraw/zinc/66/54/93/492665493.db2.gz UGFSKRMKFOJVAM-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CO)CCF ZINC000650802616 492669270 /nfs/dbraw/zinc/66/92/70/492669270.db2.gz UAIBGGNHKIFGAH-OAHLLOKOSA-N 2 0 353.442 0.613 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629787250 492672167 /nfs/dbraw/zinc/67/21/67/492672167.db2.gz ATVNUNOPZDKFPG-NEPJUHHUSA-N 2 0 352.401 0.382 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000636743452 492679121 /nfs/dbraw/zinc/67/91/21/492679121.db2.gz FFMQWRMBBBDLHP-QGZVFWFLSA-N 2 0 364.490 0.883 20 0 FCADRP Cc1nc(NCC[NH+]2CC[C@H](O)C2)c(NCC[N@@H+]2CC[C@H](O)C2)nc1C ZINC000624772673 492681763 /nfs/dbraw/zinc/68/17/63/492681763.db2.gz BWDGNTZREWLXMF-HOTGVXAUSA-N 2 0 364.494 0.050 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000636760840 492684529 /nfs/dbraw/zinc/68/45/29/492684529.db2.gz BPEGOANAIKYPFG-UHFFFAOYSA-N 2 0 368.522 0.730 20 0 FCADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)N1 ZINC000624951719 492701305 /nfs/dbraw/zinc/70/13/05/492701305.db2.gz OIRPIMZZRUJHIP-WBVHZDCISA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC[N@@H+]1C ZINC000636843863 492707964 /nfs/dbraw/zinc/70/79/64/492707964.db2.gz MIWGLSZTCRFHEX-VKJFTORMSA-N 2 0 354.495 0.384 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873519 492807274 /nfs/dbraw/zinc/80/72/74/492807274.db2.gz IPNWQJLPMXTHCU-HXUWFJFHSA-N 2 0 371.485 0.675 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874390 492807374 /nfs/dbraw/zinc/80/73/74/492807374.db2.gz RAHCHXWOLAROSK-UHFFFAOYSA-N 2 0 359.474 0.675 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000657873537 492807447 /nfs/dbraw/zinc/80/74/47/492807447.db2.gz JVAGCTCSEBPFPO-KRWDZBQOSA-N 2 0 357.458 0.427 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631645320 492829257 /nfs/dbraw/zinc/82/92/57/492829257.db2.gz NYHXWWSHSWEELK-INIZCTEOSA-N 2 0 374.551 0.285 20 0 FCADRP [NH3+]Cc1cn([C@H]2CC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)nn1 ZINC000631847316 492862605 /nfs/dbraw/zinc/86/26/05/492862605.db2.gz RPNWRBPDEZWUTM-AWEZNQCLSA-N 2 0 359.821 0.845 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813006 492869171 /nfs/dbraw/zinc/86/91/71/492869171.db2.gz HNYWKVJFXBDWEK-FUHWJXTLSA-N 2 0 374.485 0.235 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813007 492869602 /nfs/dbraw/zinc/86/96/02/492869602.db2.gz HNYWKVJFXBDWEK-SJLPKXTDSA-N 2 0 374.485 0.235 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000637841020 492871856 /nfs/dbraw/zinc/87/18/56/492871856.db2.gz RORNUCHYNJKAOE-SJORKVTESA-N 2 0 365.522 0.747 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)CC1 ZINC000631904431 492874823 /nfs/dbraw/zinc/87/48/23/492874823.db2.gz NNXQRTGGQPKVKV-UHFFFAOYSA-N 2 0 366.531 0.865 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000652153582 492887860 /nfs/dbraw/zinc/88/78/60/492887860.db2.gz MUCKEEDZXPWXCX-LNLFQRSKSA-N 2 0 365.522 0.163 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652218575 492895706 /nfs/dbraw/zinc/89/57/06/492895706.db2.gz QMBHQXXFTRHCSU-ZDUSSCGKSA-N 2 0 351.417 0.511 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638101281 492905576 /nfs/dbraw/zinc/90/55/76/492905576.db2.gz PEPVLFXQLCSKFB-NWDGAFQWSA-N 2 0 354.405 0.964 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116187 492909772 /nfs/dbraw/zinc/90/97/72/492909772.db2.gz HRBHIXKZDUNYMX-QFBILLFUSA-N 2 0 360.502 0.850 20 0 FCADRP O=C(NC[C@H]1CCCN(C(=O)NCCC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000652324061 492910330 /nfs/dbraw/zinc/91/03/30/492910330.db2.gz UXEWXGPODSDLDD-IAGOWNOFSA-N 2 0 365.522 0.666 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652347973 492913128 /nfs/dbraw/zinc/91/31/28/492913128.db2.gz QLNFPZIYAPBVBG-MLHJIOFPSA-N 2 0 366.506 0.332 20 0 FCADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346791 492913527 /nfs/dbraw/zinc/91/35/27/492913527.db2.gz IKRDLFRARFKOBB-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000638142034 492916779 /nfs/dbraw/zinc/91/67/79/492916779.db2.gz XHXMTBLHTWFYMF-LJQANCHMSA-N 2 0 372.513 0.350 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000638149175 492918774 /nfs/dbraw/zinc/91/87/74/492918774.db2.gz QBLXAFGDVZECNV-QGTPRVQTSA-N 2 0 374.485 0.802 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000652390435 492922136 /nfs/dbraw/zinc/92/21/36/492922136.db2.gz PKIKXKUOKSAVCN-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658520876 492924989 /nfs/dbraw/zinc/92/49/89/492924989.db2.gz AARHMEXEZJVHLU-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP CC(C)O[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000652431330 492930793 /nfs/dbraw/zinc/93/07/93/492930793.db2.gz INYAMQBZKJIEOK-INIZCTEOSA-N 2 0 356.511 0.354 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000638342805 492937959 /nfs/dbraw/zinc/93/79/59/492937959.db2.gz RHVCEBLPZYWTTC-HNNXBMFYSA-N 2 0 350.467 0.259 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000638421571 492945665 /nfs/dbraw/zinc/94/56/65/492945665.db2.gz WZOWXZZVEXYNEA-HNNXBMFYSA-N 2 0 366.458 0.980 20 0 FCADRP CCC(CC)[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000632253924 492957328 /nfs/dbraw/zinc/95/73/28/492957328.db2.gz GBNKRPCDNUEQMG-QGZVFWFLSA-N 2 0 362.584 0.910 20 0 FCADRP CCN(CCC[NH+]1CCCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632265642 492960465 /nfs/dbraw/zinc/96/04/65/492960465.db2.gz DPWCJFDIYOPYPT-UHFFFAOYSA-N 2 0 360.568 0.762 20 0 FCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638564230 492961364 /nfs/dbraw/zinc/96/13/64/492961364.db2.gz HTZSSGRCFVDKEZ-UHFFFAOYSA-N 2 0 354.520 0.697 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000652623657 492971736 /nfs/dbraw/zinc/97/17/36/492971736.db2.gz OMRDBCRBDNCJKY-HNNXBMFYSA-N 2 0 362.478 0.231 20 0 FCADRP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)n(C2CC[NH+](C)CC2)n1 ZINC000626426860 492975985 /nfs/dbraw/zinc/97/59/85/492975985.db2.gz OMYHPGCNNQGZPZ-OAHLLOKOSA-N 2 0 350.467 0.646 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632336832 492976658 /nfs/dbraw/zinc/97/66/58/492976658.db2.gz PJULTDGFCVLCCK-IAGOWNOFSA-N 2 0 358.552 0.512 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC2)C1=O ZINC000638856698 492982279 /nfs/dbraw/zinc/98/22/79/492982279.db2.gz RTVYJPSOYYPGTO-GHTZIAJQSA-N 2 0 370.497 0.729 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000638855700 492982411 /nfs/dbraw/zinc/98/24/11/492982411.db2.gz HUQRLONJIAZAHD-BBRMVZONSA-N 2 0 374.489 0.302 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000638857018 492982547 /nfs/dbraw/zinc/98/25/47/492982547.db2.gz WRZRLGFZVJBBSH-MSOLQXFVSA-N 2 0 374.485 0.376 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000652681193 492988026 /nfs/dbraw/zinc/98/80/26/492988026.db2.gz DPVGPKOWLNZNHF-AWEZNQCLSA-N 2 0 354.495 0.060 20 0 FCADRP Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000638986218 492990688 /nfs/dbraw/zinc/99/06/88/492990688.db2.gz WYSDUMXSXCNSMN-DOTOQJQBSA-N 2 0 356.430 0.941 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652692175 492992306 /nfs/dbraw/zinc/99/23/06/492992306.db2.gz LDNAZTLMDFMTDH-HRCADAONSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978117 492995237 /nfs/dbraw/zinc/99/52/37/492995237.db2.gz SHHCDTZFGDAXDJ-SJLPKXTDSA-N 2 0 360.506 0.706 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CCCCC1 ZINC000652708050 492996676 /nfs/dbraw/zinc/99/66/76/492996676.db2.gz LMPLWPIIMCOHMW-QGZVFWFLSA-N 2 0 367.538 0.249 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646009424 493000686 /nfs/dbraw/zinc/00/06/86/493000686.db2.gz JCBUXMYUJHSKOM-FGTMMUONSA-N 2 0 350.507 0.145 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646009639 493001507 /nfs/dbraw/zinc/00/15/07/493001507.db2.gz YXZYSDHFSVKTOT-FQEVSTJZSA-N 2 0 372.513 0.511 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771411 493048644 /nfs/dbraw/zinc/04/86/44/493048644.db2.gz VYVXSEICNUXHMT-WMZOPIPTSA-N 2 0 353.507 0.887 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115085 493072769 /nfs/dbraw/zinc/07/27/69/493072769.db2.gz CBHFQZBVPFIANI-NVXWUHKLSA-N 2 0 361.490 0.601 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653114628 493073165 /nfs/dbraw/zinc/07/31/65/493073165.db2.gz POKSWLXWKNBKMV-ZMMAXQRCSA-N 2 0 350.507 0.239 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124640 493074538 /nfs/dbraw/zinc/07/45/38/493074538.db2.gz CMRDKKMFDVWETI-QRVBRYPASA-N 2 0 364.534 0.770 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000653124903 493076048 /nfs/dbraw/zinc/07/60/48/493076048.db2.gz LQMOBOITIMLCST-SFHVURJKSA-N 2 0 363.506 0.530 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653124877 493076135 /nfs/dbraw/zinc/07/61/35/493076135.db2.gz KARVMINUJISNOV-IBGZPJMESA-N 2 0 361.534 0.719 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@H](N)CC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000653124860 493076323 /nfs/dbraw/zinc/07/63/23/493076323.db2.gz JHFZNYTYBRUBPD-RTBURBONSA-N 2 0 361.534 0.760 20 0 FCADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH+](Cc2ccccc2)CC1 ZINC000653164607 493081396 /nfs/dbraw/zinc/08/13/96/493081396.db2.gz ZQDJGMVBGAFXQZ-PXNSSMCTSA-N 3 0 358.486 0.332 20 0 FCADRP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653164994 493081406 /nfs/dbraw/zinc/08/14/06/493081406.db2.gz BAKMQMNZYFOORX-JXFKEZNVSA-N 2 0 373.501 0.819 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1=O ZINC000653261429 493087239 /nfs/dbraw/zinc/08/72/39/493087239.db2.gz RJZJRDMXIQOSJG-TWMKSMIVSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627115135 493089696 /nfs/dbraw/zinc/08/96/96/493089696.db2.gz RDYDECUAMUETEP-BRWVUGGUSA-N 2 0 350.438 0.637 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627115136 493089871 /nfs/dbraw/zinc/08/98/71/493089871.db2.gz RDYDECUAMUETEP-GVDBMIGSSA-N 2 0 350.438 0.637 20 0 FCADRP CCCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000646765811 493092823 /nfs/dbraw/zinc/09/28/23/493092823.db2.gz LZTQXTFTQFQVIH-HNNXBMFYSA-N 2 0 356.430 1.149 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653380662 493109777 /nfs/dbraw/zinc/10/97/77/493109777.db2.gz XAIDZZLVBSFCBZ-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000640564453 493117542 /nfs/dbraw/zinc/11/75/42/493117542.db2.gz GHBNMELYSOLRSI-MRXNPFEDSA-N 2 0 374.489 0.914 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000633085001 493118821 /nfs/dbraw/zinc/11/88/21/493118821.db2.gz NJUHECDZASTICK-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258985 493121058 /nfs/dbraw/zinc/12/10/58/493121058.db2.gz KHOVYLVIEOKUOO-NLWGTHIKSA-N 2 0 359.470 0.291 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095367 493122693 /nfs/dbraw/zinc/12/26/93/493122693.db2.gz SOMMMUXYOOCMNC-SZMVWBNQSA-N 2 0 356.470 0.682 20 0 FCADRP Cn1nnnc1-c1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000640679935 493124129 /nfs/dbraw/zinc/12/41/29/493124129.db2.gz DVTQOUVCYUPWOI-UHFFFAOYSA-N 2 0 360.466 0.834 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000659022368 493126032 /nfs/dbraw/zinc/12/60/32/493126032.db2.gz PEGAIEZCFLQIRG-UHFFFAOYSA-N 2 0 363.462 0.652 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117706 493133074 /nfs/dbraw/zinc/13/30/74/493133074.db2.gz FPQZIBCRMSTKAF-BZZMCLGOSA-N 2 0 356.470 0.667 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000633117756 493133452 /nfs/dbraw/zinc/13/34/52/493133452.db2.gz FZMJRGKNUIBECO-NXHRZFHOSA-N 2 0 358.486 0.710 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000627290071 493136142 /nfs/dbraw/zinc/13/61/42/493136142.db2.gz DFGBKFXZKHAPHJ-KGLIPLIRSA-N 2 0 352.504 0.923 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000646974539 493137502 /nfs/dbraw/zinc/13/75/02/493137502.db2.gz RMOSQMBHVUOKBQ-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000646974537 493137914 /nfs/dbraw/zinc/13/79/14/493137914.db2.gz RMOSQMBHVUOKBQ-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000659093095 493149413 /nfs/dbraw/zinc/14/94/13/493149413.db2.gz AUKRPSMPZXIMEY-UHFFFAOYSA-N 2 0 361.490 0.568 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000627321584 493151770 /nfs/dbraw/zinc/15/17/70/493151770.db2.gz RWAQAIKYLAFSIB-HNNXBMFYSA-N 2 0 370.881 0.493 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCCC3)c2)CC1 ZINC000659099536 493152602 /nfs/dbraw/zinc/15/26/02/493152602.db2.gz FWSYWHOOJNQMRG-UHFFFAOYSA-N 2 0 373.501 0.760 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCCCCC1 ZINC000627324957 493153924 /nfs/dbraw/zinc/15/39/24/493153924.db2.gz UPRKQIPECNMJGI-INIZCTEOSA-N 2 0 356.511 0.437 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000627342143 493163687 /nfs/dbraw/zinc/16/36/87/493163687.db2.gz XKFPOQHYCIMTKM-VXGBXAGGSA-N 2 0 364.412 0.573 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627345995 493166278 /nfs/dbraw/zinc/16/62/78/493166278.db2.gz BHQMGUHQOHLOSQ-OLZOCXBDSA-N 2 0 366.428 0.820 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641215128 493182171 /nfs/dbraw/zinc/18/21/71/493182171.db2.gz NVMWTCXQKKHBMQ-IBGZPJMESA-N 2 0 358.490 0.219 20 0 FCADRP COCC[C@@H]([NH3+])Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230805 493186265 /nfs/dbraw/zinc/18/62/65/493186265.db2.gz UUAYYTMIGFGBQA-MJGOQNOKSA-N 2 0 359.474 0.821 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[C@H]1F ZINC000659481307 493192105 /nfs/dbraw/zinc/19/21/05/493192105.db2.gz XSPZZSUKWSYRBO-GVDBMIGSSA-N 2 0 350.438 0.834 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000666617665 493208427 /nfs/dbraw/zinc/20/84/27/493208427.db2.gz QFCRWHSHMDYTPW-MRXNPFEDSA-N 2 0 351.495 0.407 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627423346 493211942 /nfs/dbraw/zinc/21/19/42/493211942.db2.gz LEEOEZHOWYNWNC-OAHLLOKOSA-N 2 0 354.495 0.252 20 0 FCADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659580438 493215955 /nfs/dbraw/zinc/21/59/55/493215955.db2.gz AYOUTLPPXJAZGB-CZPYZCIJSA-N 2 0 354.401 0.290 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630334 493224408 /nfs/dbraw/zinc/22/44/08/493224408.db2.gz PLNFHPFNFHZDFO-UHFFFAOYSA-N 2 0 362.434 0.897 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000672696283 493234261 /nfs/dbraw/zinc/23/42/61/493234261.db2.gz BKPQZMBEFOIJMT-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000666924836 493238036 /nfs/dbraw/zinc/23/80/36/493238036.db2.gz MBERRTQUPJMIGP-JKSUJKDBSA-N 2 0 351.495 0.419 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000666977700 493244106 /nfs/dbraw/zinc/24/41/06/493244106.db2.gz HGIFAZBBRWAGBJ-DLBZAZTESA-N 2 0 354.495 0.386 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000666976182 493244710 /nfs/dbraw/zinc/24/47/10/493244710.db2.gz DBASDCOEOXZKAB-YQQAZPJKSA-N 2 0 354.495 0.336 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000659690335 493255189 /nfs/dbraw/zinc/25/51/89/493255189.db2.gz ROEGPHZCHVRJOQ-UHFFFAOYSA-N 2 0 350.463 0.439 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659693238 493257123 /nfs/dbraw/zinc/25/71/23/493257123.db2.gz DSTGNFFTOIMFPE-VYDXJSESSA-N 2 0 366.506 0.189 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000659694342 493257530 /nfs/dbraw/zinc/25/75/30/493257530.db2.gz OBAVLWLHLXINSL-JYJNAYRXSA-N 2 0 360.502 0.983 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659697779 493259658 /nfs/dbraw/zinc/25/96/58/493259658.db2.gz DSWWOMBNZNOIGE-KRWDZBQOSA-N 2 0 368.522 0.309 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659700538 493261520 /nfs/dbraw/zinc/26/15/20/493261520.db2.gz MXYKFSMFKXUUHF-ZBFHGGJFSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000667151287 493262338 /nfs/dbraw/zinc/26/23/38/493262338.db2.gz GIUOLGMGHJSPBP-OAHLLOKOSA-N 2 0 350.467 0.508 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000659711087 493266839 /nfs/dbraw/zinc/26/68/39/493266839.db2.gz VWUBNNLKYSJVNI-PBHICJAKSA-N 2 0 362.474 0.672 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659710595 493266867 /nfs/dbraw/zinc/26/68/67/493266867.db2.gz SLNDUFZYNAHTFN-UHFFFAOYSA-N 2 0 373.501 0.526 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718303 493270191 /nfs/dbraw/zinc/27/01/91/493270191.db2.gz OSDOGBXUAKZOCL-SJORKVTESA-N 2 0 350.507 0.858 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000641658853 493271113 /nfs/dbraw/zinc/27/11/13/493271113.db2.gz XVHPXTGISASYPW-CQSZACIVSA-N 2 0 363.428 0.560 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000641668802 493275066 /nfs/dbraw/zinc/27/50/66/493275066.db2.gz DJGCNMSXSGSXDW-WMZOPIPTSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659727379 493275437 /nfs/dbraw/zinc/27/54/37/493275437.db2.gz DSIGKWKFDZFTJY-JKSUJKDBSA-N 2 0 373.501 0.619 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659730269 493276772 /nfs/dbraw/zinc/27/67/72/493276772.db2.gz QYMVKXVDEKEPDM-GOSISDBHSA-N 2 0 373.501 0.750 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659737957 493279680 /nfs/dbraw/zinc/27/96/80/493279680.db2.gz WRIBONMBNNXAQW-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659737958 493279891 /nfs/dbraw/zinc/27/98/91/493279891.db2.gz WRIBONMBNNXAQW-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000667398351 493281914 /nfs/dbraw/zinc/28/19/14/493281914.db2.gz PKVHOJFRUQKFGU-CRAIPNDOSA-N 2 0 374.485 0.838 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)CC1(C)C ZINC000673057998 493285960 /nfs/dbraw/zinc/28/59/60/493285960.db2.gz LCIHXUMOCCKGNS-UHFFFAOYSA-N 2 0 355.527 0.111 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[C@H]1[NH3+] ZINC000659754299 493286667 /nfs/dbraw/zinc/28/66/67/493286667.db2.gz DMCQIGQJJCVIKK-DLBZAZTESA-N 2 0 350.507 0.810 20 0 FCADRP CCCN(C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000659756529 493287131 /nfs/dbraw/zinc/28/71/31/493287131.db2.gz RNWMPTQYPZXQAM-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659756534 493287133 /nfs/dbraw/zinc/28/71/33/493287133.db2.gz RQCIYWQCGXEBPE-KRWDZBQOSA-N 2 0 350.507 0.683 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667537189 493289115 /nfs/dbraw/zinc/28/91/15/493289115.db2.gz SRLAZQKKDIXZBE-GOEBONIOSA-N 2 0 360.458 0.906 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000667557861 493289448 /nfs/dbraw/zinc/28/94/48/493289448.db2.gz LDMXNCNIFFDPJW-GFCCVEGCSA-N 2 0 367.881 0.884 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000667585545 493291452 /nfs/dbraw/zinc/29/14/52/493291452.db2.gz KSTSROATKFWDCG-HOCLYGCPSA-N 2 0 350.438 0.888 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCc2nn[nH]c21 ZINC000667680774 493296115 /nfs/dbraw/zinc/29/61/15/493296115.db2.gz QVDDVKIVOFTOET-MRXNPFEDSA-N 2 0 369.473 0.948 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000667820470 493304119 /nfs/dbraw/zinc/30/41/19/493304119.db2.gz PUVSEIUBWPQIDY-MRXNPFEDSA-N 2 0 359.478 0.978 20 0 FCADRP O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673299470 493314355 /nfs/dbraw/zinc/31/43/55/493314355.db2.gz DSKVKJFNPXMHNJ-JKSUJKDBSA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660056463 493320061 /nfs/dbraw/zinc/32/00/61/493320061.db2.gz NVUVQBMQBFTIIV-UHFFFAOYSA-N 2 0 351.499 0.360 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000673348431 493320062 /nfs/dbraw/zinc/32/00/62/493320062.db2.gz GLIFJONECJYNCJ-HNNXBMFYSA-N 2 0 364.465 0.926 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000673348432 493320285 /nfs/dbraw/zinc/32/02/85/493320285.db2.gz GLIFJONECJYNCJ-OAHLLOKOSA-N 2 0 364.465 0.926 20 0 FCADRP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000660093296 493323969 /nfs/dbraw/zinc/32/39/69/493323969.db2.gz XACDSZGUJKXGTB-GUDVDZBRSA-N 2 0 358.571 0.395 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660121620 493327031 /nfs/dbraw/zinc/32/70/31/493327031.db2.gz VLHVYSMYNXOQCG-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000673465164 493331356 /nfs/dbraw/zinc/33/13/56/493331356.db2.gz PNIWEDFPEKMMIQ-JKSUJKDBSA-N 2 0 370.538 0.648 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872312 493370306 /nfs/dbraw/zinc/37/03/06/493370306.db2.gz DEUBFOUAKDKRMN-OAHLLOKOSA-N 2 0 362.478 0.214 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668635041 493387960 /nfs/dbraw/zinc/38/79/60/493387960.db2.gz HIJWXABULCEUPT-KRWDZBQOSA-N 2 0 366.506 0.204 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660931489 493394200 /nfs/dbraw/zinc/39/42/00/493394200.db2.gz RJYRSXAOEKWNTQ-HOCLYGCPSA-N 2 0 369.473 0.886 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201594 493400953 /nfs/dbraw/zinc/40/09/53/493400953.db2.gz XFFKRFXJUCRFAX-QZTJIDSGSA-N 2 0 362.522 0.652 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000668852686 493422304 /nfs/dbraw/zinc/42/23/04/493422304.db2.gz GFZSOSQWMYJGCT-HNNXBMFYSA-N 2 0 368.522 0.593 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000661408795 493435084 /nfs/dbraw/zinc/43/50/84/493435084.db2.gz FWIDZXGNISKQJS-DOTOQJQBSA-N 2 0 357.458 0.283 20 0 FCADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000669135286 493467308 /nfs/dbraw/zinc/46/73/08/493467308.db2.gz UPHLWCJUAIABCL-QXSJWSMHSA-N 2 0 362.478 0.089 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000685276924 493471981 /nfs/dbraw/zinc/47/19/81/493471981.db2.gz DKWGIWOYTTVJRB-CABCVRRESA-N 2 0 357.458 0.472 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189972 493472807 /nfs/dbraw/zinc/47/28/07/493472807.db2.gz FXUKRCWFJJWTAT-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H]1CN(C)CCO1 ZINC000685336636 493477589 /nfs/dbraw/zinc/47/75/89/493477589.db2.gz JRCOZPUFRNDLKC-BHYGNILZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661985759 493481172 /nfs/dbraw/zinc/48/11/72/493481172.db2.gz XLZVXRVJKGEWPQ-WBVHZDCISA-N 2 0 368.522 0.726 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000685520000 493501113 /nfs/dbraw/zinc/50/11/13/493501113.db2.gz BNBJIQSRSZYMHI-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685520296 493501155 /nfs/dbraw/zinc/50/11/55/493501155.db2.gz BTBFFMVCADNXAV-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000662265558 493501863 /nfs/dbraw/zinc/50/18/63/493501863.db2.gz RALRFCZDYWCBQE-LSDHHAIUSA-N 2 0 363.510 0.551 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296816 493504750 /nfs/dbraw/zinc/50/47/50/493504750.db2.gz NMRZZZPUTHEVDG-MSOLQXFVSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@]1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486473 493506570 /nfs/dbraw/zinc/50/65/70/493506570.db2.gz NETGBMNTFOXNJM-WMZOPIPTSA-N 2 0 353.511 0.082 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nnn1[C@H]1CC[NH2+]C1 ZINC000662351828 493509061 /nfs/dbraw/zinc/50/90/61/493509061.db2.gz PAXUOEMSEIBTNC-LSDHHAIUSA-N 2 0 350.467 0.208 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)C[C@H](C)O1 ZINC000662379673 493511171 /nfs/dbraw/zinc/51/11/71/493511171.db2.gz GYWGTTJSVRMSCE-GASCZTMLSA-N 2 0 372.473 0.776 20 0 FCADRP CCOC1CC(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)(N2CCOCC2)C1 ZINC000669571504 493511379 /nfs/dbraw/zinc/51/13/79/493511379.db2.gz VICNQERKXLQKFC-MHAAMQRSSA-N 2 0 354.495 0.825 20 0 FCADRP CCOC1CC(CNC(=O)NC[C@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000669571486 493511598 /nfs/dbraw/zinc/51/15/98/493511598.db2.gz PNXNLSOKHCSLOD-KLHKWILBSA-N 2 0 354.495 0.698 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)ccn2)CC1 ZINC000662386652 493511813 /nfs/dbraw/zinc/51/18/13/493511813.db2.gz MFOHJCHKCWJCCE-OAHLLOKOSA-N 2 0 369.473 0.563 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662404777 493513596 /nfs/dbraw/zinc/51/35/96/493513596.db2.gz JJWVVSOJLUUUGH-SJORKVTESA-N 2 0 358.486 0.992 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662416973 493514150 /nfs/dbraw/zinc/51/41/50/493514150.db2.gz LLJIYISYVFDWDU-CQSZACIVSA-N 2 0 369.473 0.563 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)c1 ZINC000662446704 493515939 /nfs/dbraw/zinc/51/59/39/493515939.db2.gz OICBLDXIWZCBTF-UHFFFAOYSA-N 2 0 371.445 0.569 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC1 ZINC000662453411 493516663 /nfs/dbraw/zinc/51/66/63/493516663.db2.gz YBBPVGIEVSSNGP-AWEZNQCLSA-N 2 0 364.494 0.740 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000685860609 493520120 /nfs/dbraw/zinc/52/01/20/493520120.db2.gz NOBGPOLLSHPGBR-UHFFFAOYSA-N 2 0 363.506 0.666 20 0 FCADRP [NH3+]CCn1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000662534503 493524551 /nfs/dbraw/zinc/52/45/51/493524551.db2.gz CONJQFDJKVNISX-UHFFFAOYSA-N 2 0 350.467 0.201 20 0 FCADRP CC(C)(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000662613697 493528072 /nfs/dbraw/zinc/52/80/72/493528072.db2.gz HYMOLKSCDIPYIO-UHFFFAOYSA-N 2 0 352.523 0.677 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757738 493539234 /nfs/dbraw/zinc/53/92/34/493539234.db2.gz LZPQDPYRTXQDCY-RBUKOAKNSA-N 2 0 360.502 0.804 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662774247 493541021 /nfs/dbraw/zinc/54/10/21/493541021.db2.gz PTSVXYXNPZXHHK-MWLCHTKSSA-N 2 0 362.318 0.481 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000662845021 493546297 /nfs/dbraw/zinc/54/62/97/493546297.db2.gz CDIGRDFWBMNFMS-HNNXBMFYSA-N 2 0 357.520 0.391 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662860119 493547586 /nfs/dbraw/zinc/54/75/86/493547586.db2.gz QMAPISHQDOXPHC-IAGOWNOFSA-N 2 0 370.457 0.309 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000662953901 493560564 /nfs/dbraw/zinc/56/05/64/493560564.db2.gz RAIUXNGWEPHVMZ-SCTDSRPQSA-N 2 0 372.513 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662957916 493560995 /nfs/dbraw/zinc/56/09/95/493560995.db2.gz OYLXCGRIPDLWIF-NEWSRXKRSA-N 2 0 372.513 0.958 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662957918 493561135 /nfs/dbraw/zinc/56/11/35/493561135.db2.gz OYLXCGRIPDLWIF-QRQLOZEOSA-N 2 0 372.513 0.958 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662972188 493562479 /nfs/dbraw/zinc/56/24/79/493562479.db2.gz ANUSNDSQVUHSFY-RTBURBONSA-N 2 0 372.513 0.972 20 0 FCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000663013453 493566040 /nfs/dbraw/zinc/56/60/40/493566040.db2.gz CLUXSHSKJJYEJQ-CYBMUJFWSA-N 2 0 358.446 0.891 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670804642 493598557 /nfs/dbraw/zinc/59/85/57/493598557.db2.gz IZWOCJSGSCNJKI-UHFFFAOYSA-N 2 0 373.501 0.967 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663825512 493619280 /nfs/dbraw/zinc/61/92/80/493619280.db2.gz JYFQRZADFCMVQN-SFHVURJKSA-N 2 0 368.522 0.994 20 0 FCADRP C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874792 493620947 /nfs/dbraw/zinc/62/09/47/493620947.db2.gz DLKFOLFWCBBNKL-LSDHHAIUSA-N 2 0 354.520 0.364 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071372 493629409 /nfs/dbraw/zinc/62/94/09/493629409.db2.gz FZEOUUHECARNPU-CXAGYDPISA-N 2 0 356.536 0.386 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CN(C)CCO1 ZINC000671091335 493631543 /nfs/dbraw/zinc/63/15/43/493631543.db2.gz SDPZCNSJEKJBIX-PBHICJAKSA-N 2 0 362.474 0.200 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CCCC2)CC1 ZINC000664034183 493631757 /nfs/dbraw/zinc/63/17/57/493631757.db2.gz KRIQABYYAHHMHL-IRXDYDNUSA-N 2 0 368.522 0.726 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091510 493631953 /nfs/dbraw/zinc/63/19/53/493631953.db2.gz NSGOTABJCAOSIQ-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100323 493632855 /nfs/dbraw/zinc/63/28/55/493632855.db2.gz BJPUYIAHZWGCAT-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103794 493634028 /nfs/dbraw/zinc/63/40/28/493634028.db2.gz IYVMTPAHELBXIW-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671104242 493634471 /nfs/dbraw/zinc/63/44/71/493634471.db2.gz SSZVMCOKIMJPPA-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000671105619 493634847 /nfs/dbraw/zinc/63/48/47/493634847.db2.gz SMTFOVNYNZWMGF-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000664141312 493639445 /nfs/dbraw/zinc/63/94/45/493639445.db2.gz MSMSTWWYPYXQBS-NCOADZHNSA-N 2 0 356.511 0.440 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181863 493647687 /nfs/dbraw/zinc/64/76/87/493647687.db2.gz SZWDSPWNPAWVEP-IAGOWNOFSA-N 2 0 357.458 0.473 20 0 FCADRP CNC(=O)NC1CC[NH+](CC(C)C[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC000664783226 493683209 /nfs/dbraw/zinc/68/32/09/493683209.db2.gz FLPYBOKOJGKPIR-UHFFFAOYSA-N 2 0 368.526 0.409 20 0 FCADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000679723290 493693149 /nfs/dbraw/zinc/69/31/49/493693149.db2.gz LRYQGRDRRQPMEP-MRXNPFEDSA-N 2 0 350.463 0.863 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671963546 493719690 /nfs/dbraw/zinc/71/96/90/493719690.db2.gz HUNHDWJZLLABBD-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672011003 493724530 /nfs/dbraw/zinc/72/45/30/493724530.db2.gz PVMAPNYRWLTFDC-OAGGEKHMSA-N 2 0 368.522 0.448 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672011729 493724574 /nfs/dbraw/zinc/72/45/74/493724574.db2.gz VSTDLNOIDVBGOH-HNNXBMFYSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014206 493724667 /nfs/dbraw/zinc/72/46/67/493724667.db2.gz KTXHOJLKTPHEBV-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)(N2CCOCC2)CC1 ZINC000665640779 493729472 /nfs/dbraw/zinc/72/94/72/493729472.db2.gz JELHHEJPCJMAFV-UHFFFAOYSA-N 2 0 357.458 0.861 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665759161 493733025 /nfs/dbraw/zinc/73/30/25/493733025.db2.gz JFVHGDRIFPXRCM-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309473 493753928 /nfs/dbraw/zinc/75/39/28/493753928.db2.gz UDOBPPIWAARJNO-INIZCTEOSA-N 2 0 362.474 0.770 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672311309 493754780 /nfs/dbraw/zinc/75/47/80/493754780.db2.gz CUISJHPRWQWUSD-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672311974 493754791 /nfs/dbraw/zinc/75/47/91/493754791.db2.gz XMRKAKQMUZATNS-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672311971 493755017 /nfs/dbraw/zinc/75/50/17/493755017.db2.gz XMRKAKQMUZATNS-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011217 674338415 /nfs/dbraw/zinc/33/84/15/674338415.db2.gz QGDVTLAJILEDCK-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)O1 ZINC000188286661 526331356 /nfs/dbraw/zinc/33/13/56/526331356.db2.gz MDYSUKJLDRZWHF-OKILXGFUSA-N 2 0 356.511 0.543 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000410812541 527825102 /nfs/dbraw/zinc/82/51/02/527825102.db2.gz XYPLTVXXTBDCPL-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000193292227 528018110 /nfs/dbraw/zinc/01/81/10/528018110.db2.gz GXYPQSYNBFRECC-GOSISDBHSA-N 2 0 369.554 0.668 20 0 FCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000410166803 528567242 /nfs/dbraw/zinc/56/72/42/528567242.db2.gz ISSAMZMEIBVMBU-OAHLLOKOSA-N 2 0 356.511 0.402 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000410886469 528891077 /nfs/dbraw/zinc/89/10/77/528891077.db2.gz OBKPKFAPYWOYDE-MRXNPFEDSA-N 2 0 368.522 0.497 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000263236747 529038331 /nfs/dbraw/zinc/03/83/31/529038331.db2.gz JTCVAWFAPHMOPJ-SFHVURJKSA-N 2 0 362.474 0.681 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413297336 529272286 /nfs/dbraw/zinc/27/22/86/529272286.db2.gz RBKFCWUYNHPKDS-JKSUJKDBSA-N 2 0 354.495 0.997 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000419705454 535071117 /nfs/dbraw/zinc/07/11/17/535071117.db2.gz ZPLCBLCKADAGOE-YLFCFFPRSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876945 535072606 /nfs/dbraw/zinc/07/26/06/535072606.db2.gz WFBGTZUOJVNHSV-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772077 535108969 /nfs/dbraw/zinc/10/89/69/535108969.db2.gz UTVUYUVABIITKL-WFFDWFOESA-N 2 0 352.523 0.674 20 0 FCADRP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[NH2+]C1 ZINC000419749151 535189046 /nfs/dbraw/zinc/18/90/46/535189046.db2.gz GOQITMPZGCFNRM-OAHLLOKOSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000415291870 535204785 /nfs/dbraw/zinc/20/47/85/535204785.db2.gz IBHJPTUTOOCDEV-OAHLLOKOSA-N 2 0 359.474 0.715 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419755657 535439358 /nfs/dbraw/zinc/43/93/58/535439358.db2.gz QWAJIYFTGBLKJP-OAHLLOKOSA-N 2 0 368.522 0.593 20 0 FCADRP CCN(CC)C(=O)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433120241 535451938 /nfs/dbraw/zinc/45/19/38/535451938.db2.gz JDOBXGDZPPYJFE-UHFFFAOYSA-N 2 0 353.511 0.796 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423459905 535522809 /nfs/dbraw/zinc/52/28/09/535522809.db2.gz AHEAWPGMEJAJPM-GFCCVEGCSA-N 2 0 352.401 0.669 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423433392 535548920 /nfs/dbraw/zinc/54/89/20/535548920.db2.gz CHMWDGCQXKEDBF-QFBILLFUSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000423448945 535549991 /nfs/dbraw/zinc/54/99/91/535549991.db2.gz QWRCDAHFQYSSPM-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054668 535552002 /nfs/dbraw/zinc/55/20/02/535552002.db2.gz FQHKSUDMBIZZRG-BSDSXHPESA-N 2 0 362.518 0.872 20 0 FCADRP CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760192 535600174 /nfs/dbraw/zinc/60/01/74/535600174.db2.gz GONKCNDPZAWQNR-QAPCUYQASA-N 2 0 355.479 0.475 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccsc1 ZINC000419372879 535669112 /nfs/dbraw/zinc/66/91/12/535669112.db2.gz MWXCNVLJVPIQFW-HUUCEWRRSA-N 2 0 368.503 0.433 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369449 535669844 /nfs/dbraw/zinc/66/98/44/535669844.db2.gz HTQYHXAFNIRJAZ-MSOLQXFVSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000419666259 535838800 /nfs/dbraw/zinc/83/88/00/535838800.db2.gz VQSJLJNPPLTUEB-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414777258 535856710 /nfs/dbraw/zinc/85/67/10/535856710.db2.gz OKQHRUFAAAFURQ-SFHVURJKSA-N 2 0 374.485 0.840 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419844824 535863875 /nfs/dbraw/zinc/86/38/75/535863875.db2.gz OUHNFEOGOVEVCC-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000419660087 535902697 /nfs/dbraw/zinc/90/26/97/535902697.db2.gz KMZYMINIJDMOSV-UHFFFAOYSA-N 2 0 350.463 0.139 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000419714173 535927093 /nfs/dbraw/zinc/92/70/93/535927093.db2.gz SOMFPWXRHWVVIR-HXUWFJFHSA-N 2 0 360.502 0.913 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423440428 536340979 /nfs/dbraw/zinc/34/09/79/536340979.db2.gz XGCOFOOJOIXORE-LZWOXQAQSA-N 2 0 355.479 0.615 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000419404368 536348796 /nfs/dbraw/zinc/34/87/96/536348796.db2.gz GBXKHMGFLAPNSO-INIZCTEOSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419653679 536368037 /nfs/dbraw/zinc/36/80/37/536368037.db2.gz FTUAWHQPDAHDON-MRXNPFEDSA-N 2 0 362.474 0.106 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418813069 536416652 /nfs/dbraw/zinc/41/66/52/536416652.db2.gz XTOXGFCGVYYMTM-INIZCTEOSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000419823124 536417199 /nfs/dbraw/zinc/41/71/99/536417199.db2.gz PTSSFDDLEQLXOM-FUHWJXTLSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419228833 536442763 /nfs/dbraw/zinc/44/27/63/536442763.db2.gz NDPMYNIWANDACC-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000419843766 536460451 /nfs/dbraw/zinc/46/04/51/536460451.db2.gz BGCXWGUEILDNRM-IAGOWNOFSA-N 2 0 359.474 0.230 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000414722730 536469446 /nfs/dbraw/zinc/46/94/46/536469446.db2.gz AEOOEEUXYMOYLU-UHFFFAOYSA-N 2 0 374.485 0.915 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000414828842 536469548 /nfs/dbraw/zinc/46/95/48/536469548.db2.gz LFSPWXGBWBQHEJ-KRWDZBQOSA-N 2 0 374.485 0.915 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000419764452 536481359 /nfs/dbraw/zinc/48/13/59/536481359.db2.gz PKARZOPBDCOASJ-SFHVURJKSA-N 2 0 358.486 0.881 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419751277 536746628 /nfs/dbraw/zinc/74/66/28/536746628.db2.gz KEYICNMVKGBXDA-GOEBONIOSA-N 2 0 368.522 0.626 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419749532 536747236 /nfs/dbraw/zinc/74/72/36/536747236.db2.gz HHIGZWTYCKFAMF-GDBMZVCRSA-N 2 0 368.522 0.720 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419749533 536747423 /nfs/dbraw/zinc/74/74/23/536747423.db2.gz HHIGZWTYCKFAMF-GOEBONIOSA-N 2 0 368.522 0.720 20 0 FCADRP CC[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000329378696 546553071 /nfs/dbraw/zinc/55/30/71/546553071.db2.gz PDNUDWIJKLIFPQ-UHFFFAOYSA-N 2 0 354.495 0.111 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)CC1 ZINC000329684283 546560945 /nfs/dbraw/zinc/56/09/45/546560945.db2.gz UETULBXEYWZKCY-KRWDZBQOSA-N 2 0 352.523 0.319 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1CCOC ZINC000433405211 546922188 /nfs/dbraw/zinc/92/21/88/546922188.db2.gz DFWFLSFVTJBBJL-HUUCEWRRSA-N 2 0 350.467 0.385 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000550632461 547093217 /nfs/dbraw/zinc/09/32/17/547093217.db2.gz JMUJEKSZUAFZTP-KRWDZBQOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550714789 547099100 /nfs/dbraw/zinc/09/91/00/547099100.db2.gz GTNGBUGQEKOKKA-CABCVRRESA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784067 547105568 /nfs/dbraw/zinc/10/55/68/547105568.db2.gz COVHWFVMADGHHH-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550835462 547110556 /nfs/dbraw/zinc/11/05/56/547110556.db2.gz MTFHUAXVCUDEKF-KBXCAEBGSA-N 2 0 370.563 0.729 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902372 547113613 /nfs/dbraw/zinc/11/36/13/547113613.db2.gz SPWIRRSVBRJWCN-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550902975 547113794 /nfs/dbraw/zinc/11/37/94/547113794.db2.gz XDJUWZOAJPBUQV-GJZGRUSLSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000551111838 547125554 /nfs/dbraw/zinc/12/55/54/547125554.db2.gz PCHJWMKCEVCKNK-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624552 547157023 /nfs/dbraw/zinc/15/70/23/547157023.db2.gz WDOXGMIWKKJGRU-BBRMVZONSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000552191512 547194268 /nfs/dbraw/zinc/19/42/68/547194268.db2.gz JARPNTMILLVHFP-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000552501915 547213094 /nfs/dbraw/zinc/21/30/94/547213094.db2.gz JTAYCWHMUKCOHK-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1CC1 ZINC000553099387 547253874 /nfs/dbraw/zinc/25/38/74/547253874.db2.gz PJDIEZFAADLAGB-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)CC1 ZINC000553532274 547285791 /nfs/dbraw/zinc/28/57/91/547285791.db2.gz NIMUZBJCDGICNU-LJQANCHMSA-N 2 0 354.539 0.612 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734447 547304180 /nfs/dbraw/zinc/30/41/80/547304180.db2.gz ZHRRKPNZFCOPCD-GJZGRUSLSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948995284 674391554 /nfs/dbraw/zinc/39/15/54/674391554.db2.gz YPIGYLQOICJXDB-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000949011189 674391948 /nfs/dbraw/zinc/39/19/48/674391948.db2.gz SPWMZHPSKDYPDI-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000949197458 674397300 /nfs/dbraw/zinc/39/73/00/674397300.db2.gz SLJPJZHQLZUHKC-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736768233 598239713 /nfs/dbraw/zinc/23/97/13/598239713.db2.gz YURRVSGAHNNAMY-UHFFFAOYSA-N 2 0 360.466 0.230 20 0 FCADRP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025532 598522658 /nfs/dbraw/zinc/52/26/58/598522658.db2.gz LQDOBVNCZGEIMM-ZIAGYGMSSA-N 2 0 359.482 0.817 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000950996454 674445682 /nfs/dbraw/zinc/44/56/82/674445682.db2.gz NNHCKIPUOVYDED-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1-c1nn[nH]n1 ZINC000821813978 599431791 /nfs/dbraw/zinc/43/17/91/599431791.db2.gz QTIOSHNMAADSRT-CQSZACIVSA-N 2 0 373.461 0.552 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736855952 599485097 /nfs/dbraw/zinc/48/50/97/599485097.db2.gz HCFMDGSMLGABHK-UHFFFAOYSA-N 2 0 369.477 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000953818562 674485113 /nfs/dbraw/zinc/48/51/13/674485113.db2.gz YGSOLIVBIPKBDO-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000954408230 674496597 /nfs/dbraw/zinc/49/65/97/674496597.db2.gz BLCFUEICHQCVNI-HLLBOEOZSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000955083675 674509120 /nfs/dbraw/zinc/50/91/20/674509120.db2.gz YAZRXSKZYVRNQF-QSJFSLAZSA-N 2 0 350.507 0.726 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588568 665732495 /nfs/dbraw/zinc/73/24/95/665732495.db2.gz SMDNIJNVAFKDKJ-CVEARBPZSA-N 2 0 353.511 0.175 20 0 FCADRP CCN(CCNC(=O)C(=O)N1CCN(C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793469 /nfs/dbraw/zinc/79/34/69/665793469.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 0 366.428 0.930 20 0 FCADRP CC(C)[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000924631360 665856172 /nfs/dbraw/zinc/85/61/72/665856172.db2.gz MDLQYLWPUZMSGA-AEFFLSMTSA-N 2 0 374.595 0.908 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891483844 663409019 /nfs/dbraw/zinc/40/90/19/663409019.db2.gz RZJZCVQUCIKOHM-JYJNAYRXSA-N 2 0 351.495 0.465 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1C(F)(F)F ZINC000891513853 663410824 /nfs/dbraw/zinc/41/08/24/663410824.db2.gz IALMBCGLEWTSHY-LPWJVIDDSA-N 2 0 350.385 0.628 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891579965 663416877 /nfs/dbraw/zinc/41/68/77/663416877.db2.gz QIPVBOLLZGCQTM-KBPBESRZSA-N 2 0 365.444 0.793 20 0 FCADRP C[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000891600568 663417935 /nfs/dbraw/zinc/41/79/35/663417935.db2.gz CRVIVRPTAZKAGO-HZSPNIEDSA-N 2 0 365.444 0.649 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC1 ZINC000891827233 663440767 /nfs/dbraw/zinc/44/07/67/663440767.db2.gz KBFMZSHTABUFOO-MJBXVCDLSA-N 2 0 351.451 0.047 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000891903801 663448132 /nfs/dbraw/zinc/44/81/32/663448132.db2.gz QGKHIOQYGVQECH-PKOBYXMFSA-N 2 0 351.539 0.997 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000891925201 663450237 /nfs/dbraw/zinc/45/02/37/663450237.db2.gz FQJNFAXVEQUKDR-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892041748 663469752 /nfs/dbraw/zinc/46/97/52/663469752.db2.gz VBTOOPHXXKLSCF-IRXDYDNUSA-N 2 0 355.527 0.600 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892072975 663473231 /nfs/dbraw/zinc/47/32/31/663473231.db2.gz WOAKHOOWPOUEBT-KRWDZBQOSA-N 2 0 351.495 0.002 20 0 FCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892080453 663473919 /nfs/dbraw/zinc/47/39/19/663473919.db2.gz XZAYUGHSSHDTHW-GJZGRUSLSA-N 2 0 351.495 0.500 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892092035 663475349 /nfs/dbraw/zinc/47/53/49/663475349.db2.gz OEHDSNIETWKDLM-IKGGRYGDSA-N 2 0 353.511 0.080 20 0 FCADRP FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)N1CC[NH2+]CC1 ZINC000904355231 665987398 /nfs/dbraw/zinc/98/73/98/665987398.db2.gz LUPAWELCZBJQFB-AWEZNQCLSA-N 3 0 361.412 0.615 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904486275 665990116 /nfs/dbraw/zinc/99/01/16/665990116.db2.gz RSDREHMBOVYXGL-UHFFFAOYSA-N 2 0 350.467 0.821 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000892445732 663909593 /nfs/dbraw/zinc/90/95/93/663909593.db2.gz AFQAJNVHHJKVSK-WKILWMFISA-N 2 0 351.495 0.454 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000892531686 664020598 /nfs/dbraw/zinc/02/05/98/664020598.db2.gz CICRWBLZOSHADL-SYJJWHGVSA-N 2 0 353.511 0.746 20 0 FCADRP CS(=O)(=O)C1CC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892757100 664137463 /nfs/dbraw/zinc/13/74/63/664137463.db2.gz HOSNFOUILZQRLD-UHFFFAOYSA-N 2 0 352.504 0.759 20 0 FCADRP COCCC1(NC(=O)N2CCc3sc(C[NH3+])nc3C2)CC[NH2+]CC1 ZINC000892877407 664152415 /nfs/dbraw/zinc/15/24/15/664152415.db2.gz GGBLRTMPTIFMSJ-UHFFFAOYSA-N 2 0 353.492 0.828 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000892921936 664154650 /nfs/dbraw/zinc/15/46/50/664154650.db2.gz ASKULQWJQJCXRF-UHFFFAOYSA-N 2 0 353.511 0.796 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CCC1 ZINC001025818355 664195489 /nfs/dbraw/zinc/19/54/89/664195489.db2.gz QGHAOMSYLSQZSK-XNNFIENISA-N 2 0 351.491 0.567 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000974190193 664227148 /nfs/dbraw/zinc/22/71/48/664227148.db2.gz DKMRACYRPBMRAC-VVLHAWIVSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnns3)CC2)O1 ZINC001026514396 664239515 /nfs/dbraw/zinc/23/95/15/664239515.db2.gz COOIULFGEGVGDG-XZNOPERXSA-N 2 0 353.492 0.774 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1)[NH+](C)C ZINC000974829585 664283982 /nfs/dbraw/zinc/28/39/82/664283982.db2.gz LDIPCMJSVGFOQR-LTIDMASMSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000975305672 664312132 /nfs/dbraw/zinc/31/21/32/664312132.db2.gz CIYZFQNYLNQNMF-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415708 664396100 /nfs/dbraw/zinc/39/61/00/664396100.db2.gz PXALRNHTBATFJX-KURKYZTESA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000977803359 664425037 /nfs/dbraw/zinc/42/50/37/664425037.db2.gz ZYBQEITXWMYLDB-DJIMGWMZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978879433 664448995 /nfs/dbraw/zinc/44/89/95/664448995.db2.gz CYQOBILPLJICCU-DMRKSPOLSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000979887151 664465404 /nfs/dbraw/zinc/46/54/04/664465404.db2.gz UFYFEAINXIZOGQ-QUSNUVHPSA-N 2 0 350.507 0.679 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981379231 664824600 /nfs/dbraw/zinc/82/46/00/664824600.db2.gz LMKMGHQVDNRVJT-USXIJHARSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776836 664839288 /nfs/dbraw/zinc/83/92/88/664839288.db2.gz YBFOCJYZCPXXRQ-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001028551280 664901798 /nfs/dbraw/zinc/90/17/98/664901798.db2.gz MCDRBOIQLHUWLW-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261779460 664911695 /nfs/dbraw/zinc/91/16/95/664911695.db2.gz XUHDUXLZZYOWNK-INIZCTEOSA-N 2 0 352.504 0.416 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261779464 664911780 /nfs/dbraw/zinc/91/17/80/664911780.db2.gz XUHDUXLZZYOWNK-MRXNPFEDSA-N 2 0 352.504 0.416 20 0 FCADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924964801 664947189 /nfs/dbraw/zinc/94/71/89/664947189.db2.gz DWWANFROYSYUKJ-INIZCTEOSA-N 2 0 360.568 0.664 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(F)(F)F)no1 ZINC000896403897 665083871 /nfs/dbraw/zinc/08/38/71/665083871.db2.gz DUAKJXJVFYXXSS-UHFFFAOYSA-N 2 0 352.361 0.723 20 0 FCADRP CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000727931117 665110757 /nfs/dbraw/zinc/11/07/57/665110757.db2.gz IHMSFDXWYSNXLW-UHFFFAOYSA-N 2 0 354.495 0.997 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000985442584 665167673 /nfs/dbraw/zinc/16/76/73/665167673.db2.gz PWCDBWQZJQSMIE-BPLDGKMQSA-N 2 0 350.463 0.055 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986329233 665209464 /nfs/dbraw/zinc/20/94/64/665209464.db2.gz RNBXMNBXPWNYQK-YYIAUSFCSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001029966337 665219621 /nfs/dbraw/zinc/21/96/21/665219621.db2.gz QQXHYVUTPBPSJP-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000897441291 665288406 /nfs/dbraw/zinc/28/84/06/665288406.db2.gz BTERQSSTAPMCEO-FGTMMUONSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000897443588 665288468 /nfs/dbraw/zinc/28/84/68/665288468.db2.gz XSIPOLXEGWSASG-HOTGVXAUSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000897488214 665293833 /nfs/dbraw/zinc/29/38/33/665293833.db2.gz YBAUOSFUXSKPSW-HOTGVXAUSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000988776574 665314166 /nfs/dbraw/zinc/31/41/66/665314166.db2.gz WOHZTWWHQJTOJD-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000905086080 666003661 /nfs/dbraw/zinc/00/36/61/666003661.db2.gz GZSWIRYTKYVEFZ-IAGOWNOFSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338849 666020578 /nfs/dbraw/zinc/02/05/78/666020578.db2.gz AGJJXVNSQIKCMZ-IRXDYDNUSA-N 2 0 372.579 0.806 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506278 666359806 /nfs/dbraw/zinc/35/98/06/666359806.db2.gz YITJALQTRIVFPB-UHFFFAOYSA-N 2 0 354.401 0.463 20 0 FCADRP CN1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000911880643 666379735 /nfs/dbraw/zinc/37/97/35/666379735.db2.gz WUAQEBURASXIHD-LSDHHAIUSA-N 2 0 369.307 0.810 20 0 FCADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912286884 666398591 /nfs/dbraw/zinc/39/85/91/666398591.db2.gz HNJJRGDTDGLSGF-IBGZPJMESA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000912586899 666459350 /nfs/dbraw/zinc/45/93/50/666459350.db2.gz ZOFPXCTUZASXLR-UHFFFAOYSA-N 2 0 351.495 0.657 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000938523502 666468784 /nfs/dbraw/zinc/46/87/84/666468784.db2.gz ZNLPCLZPWQAXLO-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000938549588 666469710 /nfs/dbraw/zinc/46/97/10/666469710.db2.gz UEZHTNGWECUYMC-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000939120482 666502065 /nfs/dbraw/zinc/50/20/65/666502065.db2.gz HKGZMKYREVMFJL-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886783 666530846 /nfs/dbraw/zinc/53/08/46/666530846.db2.gz ACCGDVDFKZMTPC-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884532 666530866 /nfs/dbraw/zinc/53/08/66/666530866.db2.gz JRMGDRDOXISWKL-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992313228 666632849 /nfs/dbraw/zinc/63/28/49/666632849.db2.gz LOIDACPHYVVIJV-OIISXLGYSA-N 2 0 350.507 0.774 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000992400190 666636080 /nfs/dbraw/zinc/63/60/80/666636080.db2.gz MRBVZPFIJJWUTN-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000992401750 666636110 /nfs/dbraw/zinc/63/61/10/666636110.db2.gz UPTPAODYJBNTMP-NXNVCVFFSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419407279 674761256 /nfs/dbraw/zinc/76/12/56/674761256.db2.gz KAGMVVCGPXEZJD-GPMSIDNRSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1)[NH+](C)C ZINC000993072753 666778951 /nfs/dbraw/zinc/77/89/51/666778951.db2.gz NDJBWXBIWOTNIW-IAKCYEPBSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000943705964 666783941 /nfs/dbraw/zinc/78/39/41/666783941.db2.gz UNFMQKDGRIZYJG-ZHCJQAHYSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H](C(=O)N1CC2CN(C(=O)[C@H](CC)[NH+](C)C)CC2(C)C1)[NH+](C)C ZINC000993445831 666905828 /nfs/dbraw/zinc/90/58/28/666905828.db2.gz NDJBWXBIWOTNIW-IOSXPMGOSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000996579921 666939214 /nfs/dbraw/zinc/93/92/14/666939214.db2.gz DDCIOWSYFDKURO-QGTPRVQTSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H]3CCN(CC)C3=O)CC2)CC[N@@H+]1C ZINC000996604031 666945282 /nfs/dbraw/zinc/94/52/82/666945282.db2.gz QKPXBBPHIFIYEZ-YESZJQIVSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961666159 674785855 /nfs/dbraw/zinc/78/58/55/674785855.db2.gz FMFZIYRQSKRLHH-NQNKBUKLSA-N 2 0 350.507 0.584 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)[NH+](C)C ZINC000994334356 667022775 /nfs/dbraw/zinc/02/27/75/667022775.db2.gz ZUDXJLZCDCNQFD-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000998797405 667221611 /nfs/dbraw/zinc/22/16/11/667221611.db2.gz SCXJWYOXXPMHJN-XSCHDIRWSA-N 2 0 352.458 0.667 20 0 FCADRP CN(C)c1cc[nH+]c(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)c1 ZINC000921018137 667263264 /nfs/dbraw/zinc/26/32/64/667263264.db2.gz UPASTPVSYCPNII-UHFFFAOYSA-N 2 0 355.508 0.205 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001002264440 667527632 /nfs/dbraw/zinc/52/76/32/667527632.db2.gz WXLGFDFCOWGGGP-JKSUJKDBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC001002852353 667571028 /nfs/dbraw/zinc/57/10/28/667571028.db2.gz OHUDUNHGSYVLLY-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001034647283 667761890 /nfs/dbraw/zinc/76/18/90/667761890.db2.gz CPXRTXUWLMZOHP-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CCS(C)(=O)=O)C3)CC2)CC[N@@H+]1C ZINC001035187545 667775358 /nfs/dbraw/zinc/77/53/58/667775358.db2.gz ZXPUZVFHBIGDOZ-HZPDHXFCSA-N 2 0 371.547 0.686 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380563 667829436 /nfs/dbraw/zinc/82/94/36/667829436.db2.gz OXMHDHFMLIEOAJ-IKGGRYGDSA-N 2 0 354.495 0.240 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000946907895 667839511 /nfs/dbraw/zinc/83/95/11/667839511.db2.gz RXGIHZWLCUTRIW-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C)C(=O)[C@@H]1CN(CC[NH+]2CCCC2)CCN1CC[NH+]1CCCC1 ZINC000760859575 667866799 /nfs/dbraw/zinc/86/67/99/667866799.db2.gz GQLARHAANICIHX-SFHVURJKSA-N 2 0 351.539 0.252 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000764500852 667985115 /nfs/dbraw/zinc/98/51/15/667985115.db2.gz AKDDJSONVHWUBA-OAHLLOKOSA-N 2 0 369.579 0.687 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743387041 668047474 /nfs/dbraw/zinc/04/74/74/668047474.db2.gz CXCKOPRAWRVIQD-HNNXBMFYSA-N 2 0 351.495 0.624 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775153750 668200396 /nfs/dbraw/zinc/20/03/96/668200396.db2.gz ZEPIEFSQNVAIOE-LLVKDONJSA-N 2 0 353.294 0.248 20 0 FCADRP Cn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)nc1Cl ZINC000780849830 668490603 /nfs/dbraw/zinc/49/06/03/668490603.db2.gz RZSXUBMLXZVWQN-UHFFFAOYSA-N 2 0 363.915 0.720 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=S)NCCCN1CCOCC1 ZINC000782405083 668559866 /nfs/dbraw/zinc/55/98/66/668559866.db2.gz JSAZKUQLBHNZQC-MRXNPFEDSA-N 2 0 370.563 0.768 20 0 FCADRP C[C@@H]1CCC[NH+]1CCNC(=O)CSCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783918207 668636707 /nfs/dbraw/zinc/63/67/07/668636707.db2.gz PZGQDYDPVQABSD-IYBDPMFKSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@H]1CCC[NH+]1CCNC(=O)COCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783917489 668636768 /nfs/dbraw/zinc/63/67/68/668636768.db2.gz ALPSZBDCNPPXDL-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121192 668788477 /nfs/dbraw/zinc/78/84/77/668788477.db2.gz DULWUNKSMSPNBY-HOCLYGCPSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000788609840 668834728 /nfs/dbraw/zinc/83/47/28/668834728.db2.gz HXGPQMPDJMKJRN-HOTGVXAUSA-N 2 0 353.488 0.890 20 0 FCADRP CC(C)(O)C[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361069 668875293 /nfs/dbraw/zinc/87/52/93/668875293.db2.gz BNLODVQRMAKDOO-GOSISDBHSA-N 2 0 352.479 0.249 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799122640 669282057 /nfs/dbraw/zinc/28/20/57/669282057.db2.gz DKCWLEICZQPSMY-CQSZACIVSA-N 2 0 352.479 0.208 20 0 FCADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817962261 670051331 /nfs/dbraw/zinc/05/13/31/670051331.db2.gz KDRRKCKGJDVCCO-VXGBXAGGSA-N 2 0 363.505 0.658 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088171 670632792 /nfs/dbraw/zinc/63/27/92/670632792.db2.gz KPFMXPYLKIBHLP-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362932 670807514 /nfs/dbraw/zinc/80/75/14/670807514.db2.gz VIUDKVBIKSIWMR-QWHCGFSZSA-N 2 0 351.451 0.332 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000843385854 670811184 /nfs/dbraw/zinc/81/11/84/670811184.db2.gz YXKDDJDRVOGRCK-MRXNPFEDSA-N 2 0 352.479 0.609 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)NC(=O)N[C@@H]1C ZINC000843388681 670811782 /nfs/dbraw/zinc/81/17/82/670811782.db2.gz WEXBEKGZTNNTBP-RDBSUJKOSA-N 2 0 350.463 0.826 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844179172 670905912 /nfs/dbraw/zinc/90/59/12/670905912.db2.gz REHWEPYFRMTMJG-FGTMMUONSA-N 2 0 352.523 0.772 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000968008559 675176961 /nfs/dbraw/zinc/17/69/61/675176961.db2.gz FESDFWLWLUZHMW-HLLBOEOZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CS(N)(=O)=O)c1 ZINC000849066990 671316759 /nfs/dbraw/zinc/31/67/59/671316759.db2.gz VNOABWVPLUNAGP-OAHLLOKOSA-N 2 0 353.492 0.573 20 0 FCADRP CS(=O)(=O)NCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849070378 671316894 /nfs/dbraw/zinc/31/68/94/671316894.db2.gz QHMJBJBQEWJGDE-UHFFFAOYSA-N 2 0 367.519 0.704 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000851685329 671457443 /nfs/dbraw/zinc/45/74/43/671457443.db2.gz RRJRWIQVMFIHJT-HNNXBMFYSA-N 2 0 352.479 0.134 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000852746078 671523072 /nfs/dbraw/zinc/52/30/72/671523072.db2.gz DNBQXFBGTPDWGZ-CAOSSQGBSA-N 2 0 352.479 0.735 20 0 FCADRP COc1cc(CNC(=O)C2=NO[C@H](C[NH3+])C2)ccc1OCC[NH+](C)C ZINC000852860499 671528161 /nfs/dbraw/zinc/52/81/61/671528161.db2.gz DZYDPWVDWPDIMJ-ZDUSSCGKSA-N 2 0 350.419 0.355 20 0 FCADRP FC(F)(F)Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507053 675935217 /nfs/dbraw/zinc/93/52/17/675935217.db2.gz LJRACGIDEPPBAO-BETUJISGSA-N 2 0 359.400 0.636 20 0 FCADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756826 675968470 /nfs/dbraw/zinc/96/84/70/675968470.db2.gz WGXCLQSTQXMMDR-JKSUJKDBSA-N 2 0 357.520 0.645 20 0 FCADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724407 675964057 /nfs/dbraw/zinc/96/40/57/675964057.db2.gz NFHIRKRSWJABHM-CVEARBPZSA-N 2 0 359.536 0.939 20 0 FCADRP O=C([C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729605 675964525 /nfs/dbraw/zinc/96/45/25/675964525.db2.gz PHSGGGWDQPRDBQ-IRXDYDNUSA-N 2 0 351.491 0.858 20 0 FCADRP COCCCS(=O)(=O)NCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794184 675974056 /nfs/dbraw/zinc/97/40/56/675974056.db2.gz PIWURQZUJXWLDM-UHFFFAOYSA-N 2 0 369.531 0.935 20 0 FCADRP Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863550896 672136508 /nfs/dbraw/zinc/13/65/08/672136508.db2.gz DSTGHNTXECKAJI-JSGCOSHPSA-N 2 0 350.385 0.606 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)n2)C1 ZINC000864797285 672210699 /nfs/dbraw/zinc/21/06/99/672210699.db2.gz VPHDQNZKJYELEF-YPMHNXCESA-N 2 0 354.405 0.415 20 0 FCADRP CC[S@@](C)(=O)=NS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000866385046 672270375 /nfs/dbraw/zinc/27/03/75/672270375.db2.gz HEKQJPHMGDXTBC-OAQYLSRUSA-N 2 0 356.558 0.554 20 0 FCADRP CCS(=O)(CC)=NS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000866385861 672270398 /nfs/dbraw/zinc/27/03/98/672270398.db2.gz RJFWQOIZCVBEPR-UHFFFAOYSA-N 2 0 370.585 0.944 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1nc[nH]c1Br ZINC000866729991 672293656 /nfs/dbraw/zinc/29/36/56/672293656.db2.gz GLCJMXFDVUUZDE-UHFFFAOYSA-N 2 0 368.301 0.286 20 0 FCADRP C/C=C(\C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055556058 676023922 /nfs/dbraw/zinc/02/39/22/676023922.db2.gz DVENWONNTUGULN-MMNVJINWSA-N 2 0 350.507 0.990 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578193 676024926 /nfs/dbraw/zinc/02/49/26/676024926.db2.gz HNZYRDWHGSVJGU-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CCCF)CC2)CC[N@@H+]1C ZINC001055583524 676025482 /nfs/dbraw/zinc/02/54/82/676025482.db2.gz RCYIQISGUFLVOY-GDBMZVCRSA-N 2 0 356.486 0.773 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055650547 676029744 /nfs/dbraw/zinc/02/97/44/676029744.db2.gz ZRFQDLSNAKWOKT-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297743 672611337 /nfs/dbraw/zinc/61/13/37/672611337.db2.gz UXCYCESWJGWCCL-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923637186 672655500 /nfs/dbraw/zinc/65/55/00/672655500.db2.gz URQQIIVHPGIAMB-ZWKOTPCHSA-N 2 0 366.531 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CCN(CCS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001000160552 676051643 /nfs/dbraw/zinc/05/16/43/676051643.db2.gz HHZGUGBIIIKLRM-GDBMZVCRSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001001426272 676071852 /nfs/dbraw/zinc/07/18/52/676071852.db2.gz VOCXCTQLYCGDTN-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001050330098 676081801 /nfs/dbraw/zinc/08/18/01/676081801.db2.gz YTIFGHZXUBWXJP-HHARLNAUSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC001050524047 676085466 /nfs/dbraw/zinc/08/54/66/676085466.db2.gz RQKSPKKKJWCIJQ-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000877199917 673001508 /nfs/dbraw/zinc/00/15/08/673001508.db2.gz BIYBIARMKKCYPM-UHFFFAOYSA-N 2 0 359.536 0.780 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878946441 673090429 /nfs/dbraw/zinc/09/04/29/673090429.db2.gz JTFWUZZIWNKRSZ-UHFFFAOYSA-N 2 0 362.540 0.144 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001052394608 676122858 /nfs/dbraw/zinc/12/28/58/676122858.db2.gz ZECGYXBDVYOYKX-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000883436419 673375529 /nfs/dbraw/zinc/37/55/29/673375529.db2.gz SIFXHNHSVQMJPG-QGZVFWFLSA-N 2 0 354.495 0.650 20 0 FCADRP CNS(=O)(=O)c1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000883447917 673376094 /nfs/dbraw/zinc/37/60/94/673376094.db2.gz OYHBCWGYXFSOTL-HNNXBMFYSA-N 2 0 352.504 0.716 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N(CCC[NH3+])CC(F)(F)F)CC1 ZINC000883471747 673377742 /nfs/dbraw/zinc/37/77/42/673377742.db2.gz XNFLDIAKUYVLEH-UHFFFAOYSA-N 2 0 360.446 0.167 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000883646272 673388455 /nfs/dbraw/zinc/38/84/55/673388455.db2.gz LZZPKVXMCVVCBU-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884026907 673411478 /nfs/dbraw/zinc/41/14/78/673411478.db2.gz OJLMMEONERQNIJ-CQSZACIVSA-N 2 0 355.280 0.813 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884450241 673454189 /nfs/dbraw/zinc/45/41/89/673454189.db2.gz CBCJXVPIINEKRT-XIRDDKMYSA-N 2 0 367.515 0.633 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884491026 673456893 /nfs/dbraw/zinc/45/68/93/673456893.db2.gz LPGHRHUVKFXFJI-RYUDHWBXSA-N 2 0 365.503 0.476 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884576287 673463163 /nfs/dbraw/zinc/46/31/63/673463163.db2.gz DJBWIUCKSLMORQ-LBPRGKRZSA-N 2 0 365.503 0.335 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884576386 673463241 /nfs/dbraw/zinc/46/32/41/673463241.db2.gz GSAJVSZQGSMHLE-IBGZPJMESA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884577804 673463681 /nfs/dbraw/zinc/46/36/81/673463681.db2.gz MNXZTTJWUSOUPJ-TWMKSMIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884577692 673463702 /nfs/dbraw/zinc/46/37/02/673463702.db2.gz KQVDHOJYVJQMGY-JHJVBQTASA-N 2 0 364.412 0.573 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884587533 673464171 /nfs/dbraw/zinc/46/41/71/673464171.db2.gz KYNCYPWPTZKUDF-GOSISDBHSA-N 2 0 354.495 0.063 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884603194 673465022 /nfs/dbraw/zinc/46/50/22/673465022.db2.gz DMXMYCBOHWLJOY-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000884632282 673467960 /nfs/dbraw/zinc/46/79/60/673467960.db2.gz CYANNHYCABFWRW-AWEZNQCLSA-N 2 0 362.465 0.973 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000884640345 673469047 /nfs/dbraw/zinc/46/90/47/673469047.db2.gz BKXSHDBAXQMRRO-WCQYABFASA-N 2 0 364.412 0.573 20 0 FCADRP CCN(C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000884661456 673470538 /nfs/dbraw/zinc/47/05/38/673470538.db2.gz RRWKVHWURKLODB-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[NH2+]C1 ZINC000884663659 673470715 /nfs/dbraw/zinc/47/07/15/673470715.db2.gz SALQOADJHJLHGR-HNNXBMFYSA-N 2 0 350.507 0.871 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000884670323 673471278 /nfs/dbraw/zinc/47/12/78/673471278.db2.gz WGQKKYUXSWUVSW-LPWJVIDDSA-N 2 0 362.396 0.325 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@@H]21 ZINC000884708320 673475599 /nfs/dbraw/zinc/47/55/99/673475599.db2.gz UVZKTMGPVSMAKB-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884724502 673477674 /nfs/dbraw/zinc/47/76/74/673477674.db2.gz VRGUMECKAKQSCJ-INIZCTEOSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884736857 673478759 /nfs/dbraw/zinc/47/87/59/673478759.db2.gz CGGLBQIPUBSDSJ-CHWSQXEVSA-N 2 0 366.428 0.676 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884736869 673478875 /nfs/dbraw/zinc/47/88/75/673478875.db2.gz CGGLBQIPUBSDSJ-STQMWFEESA-N 2 0 366.428 0.676 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884743188 673479132 /nfs/dbraw/zinc/47/91/32/673479132.db2.gz WVSMVJNEOAIAAP-UHFFFAOYSA-N 2 0 367.519 0.581 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884774301 673480843 /nfs/dbraw/zinc/48/08/43/673480843.db2.gz KDGBVQFCIHYFGF-WISYIIOYSA-N 2 0 350.385 0.038 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000884775875 673481136 /nfs/dbraw/zinc/48/11/36/673481136.db2.gz KUXJDGUDVYRSEV-BFHYXJOUSA-N 2 0 358.433 0.481 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000884807676 673483105 /nfs/dbraw/zinc/48/31/05/673483105.db2.gz FQIKVEWTFLZTIH-UHFFFAOYSA-N 2 0 354.495 0.335 20 0 FCADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884811421 673483445 /nfs/dbraw/zinc/48/34/45/673483445.db2.gz CTWUZRWRIVTELH-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000884966742 673493845 /nfs/dbraw/zinc/49/38/45/673493845.db2.gz RYHXERBTTOACOF-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000884967708 673494120 /nfs/dbraw/zinc/49/41/20/673494120.db2.gz KHSXUIVDSXVOOL-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970482 673494374 /nfs/dbraw/zinc/49/43/74/673494374.db2.gz KDCPOFWCKHDBBG-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000884976434 673495195 /nfs/dbraw/zinc/49/51/95/673495195.db2.gz PUPDQRIISBITJX-IBGZPJMESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000884976435 673495290 /nfs/dbraw/zinc/49/52/90/673495290.db2.gz PUPDQRIISBITJX-LJQANCHMSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885004613 673497038 /nfs/dbraw/zinc/49/70/38/673497038.db2.gz HIZXVSKPQULDLO-MUJYYYPQSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885284538 673511965 /nfs/dbraw/zinc/51/19/65/673511965.db2.gz AYZSQMZBLZCPFU-MCIONIFRSA-N 2 0 358.433 0.433 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000886837164 673601703 /nfs/dbraw/zinc/60/17/03/673601703.db2.gz BYLMCNBTNZCOLE-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000887064647 673617689 /nfs/dbraw/zinc/61/76/89/673617689.db2.gz MFKIQEFTHZJLCS-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887080805 673620732 /nfs/dbraw/zinc/62/07/32/673620732.db2.gz FYVKGSOCKGELSK-VQIMIIECSA-N 2 0 350.507 0.779 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138271 673707054 /nfs/dbraw/zinc/70/70/54/673707054.db2.gz VOQYKQSPCABCJW-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cn1 ZINC000926051455 673809746 /nfs/dbraw/zinc/80/97/46/673809746.db2.gz WQGUKXMDIQPVHV-CQSZACIVSA-N 2 0 350.467 0.725 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)CC[N@@H+]1C ZINC001020175490 675436858 /nfs/dbraw/zinc/43/68/58/675436858.db2.gz RPDUTZCDZZZPRW-QUSNUVHPSA-N 2 0 350.507 0.963 20 0 FCADRP CNC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040708677 675469124 /nfs/dbraw/zinc/46/91/24/675469124.db2.gz XRVLVVBODZNLMT-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001042750448 675543333 /nfs/dbraw/zinc/54/33/33/675543333.db2.gz ZKLFEVZWDQTJGJ-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900192560 675668324 /nfs/dbraw/zinc/66/83/24/675668324.db2.gz OTUNWRJUHKHGCO-UHFFFAOYSA-N 2 0 353.555 0.546 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCOC)C3)CC2)CC[N@@H+]1C ZINC001046032461 675680935 /nfs/dbraw/zinc/68/09/35/675680935.db2.gz KGYKJQBCDPEETG-FGTMMUONSA-N 2 0 352.523 0.582 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)N1CCCC1 ZINC000900480570 675686622 /nfs/dbraw/zinc/68/66/22/675686622.db2.gz ICIJLZSQGPJTTE-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900694252 675708375 /nfs/dbraw/zinc/70/83/75/675708375.db2.gz BZYKSDLRNYHNRF-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000900696620 675708910 /nfs/dbraw/zinc/70/89/10/675708910.db2.gz VWEKSRXCBOZMSY-AOCRQIFASA-N 2 0 352.523 0.630 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047385048 675795769 /nfs/dbraw/zinc/79/57/69/675795769.db2.gz VWNFVQYJMFDMMJ-WCVJEAGWSA-N 2 0 366.531 0.838 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001048526934 675859660 /nfs/dbraw/zinc/85/96/60/675859660.db2.gz HICBVGURHVVOEQ-NQNKBUKLSA-N 2 0 371.547 0.730 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897484447 1192183862 /nfs/dbraw/zinc/18/38/62/1192183862.db2.gz PLSIWTOKVFKJKV-CVEARBPZSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897484450 1192184603 /nfs/dbraw/zinc/18/46/03/1192184603.db2.gz PLSIWTOKVFKJKV-JKSUJKDBSA-N 2 0 371.485 0.719 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579436 1192193828 /nfs/dbraw/zinc/19/38/28/1192193828.db2.gz GYQNOLFQTCSPJM-FXUDXRNXSA-N 2 0 364.490 0.445 20 0 FCADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614023 1168161860 /nfs/dbraw/zinc/16/18/60/1168161860.db2.gz FXWQGJSLPUNQDF-TVFCKZIOSA-N 2 0 368.485 0.897 20 0 FCADRP COCCN1C[C@H]2OCCN(C(=O)c3cc(CN4CCCC4)on3)[C@H]2C1 ZINC001083194029 1168298685 /nfs/dbraw/zinc/29/86/85/1168298685.db2.gz RYBJBVHBQHYCEH-DLBZAZTESA-N 2 0 364.446 0.442 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001212026330 1192338375 /nfs/dbraw/zinc/33/83/75/1192338375.db2.gz JWSHZPYVUOEHTK-IXDOHACOSA-N 2 0 364.494 0.358 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001212026328 1192338694 /nfs/dbraw/zinc/33/86/94/1192338694.db2.gz JWSHZPYVUOEHTK-BRWVUGGUSA-N 2 0 364.494 0.358 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891350841 1170000403 /nfs/dbraw/zinc/00/04/03/1170000403.db2.gz VXKDCLAPKDYOND-JONQDZQNSA-N 2 0 365.478 0.437 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC001022035370 1170443935 /nfs/dbraw/zinc/44/39/35/1170443935.db2.gz KNUMSHOCBNNIPL-KSZLIROESA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891444148 1170504245 /nfs/dbraw/zinc/50/42/45/1170504245.db2.gz FFCAEWPJIXZSKK-APWZRJJASA-N 2 0 358.490 0.917 20 0 FCADRP Cn1cncc1CCC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217233 1170765541 /nfs/dbraw/zinc/76/55/41/1170765541.db2.gz HFDGTDGEKPQBTM-DOTOQJQBSA-N 2 0 371.485 0.508 20 0 FCADRP CCN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001691147028 1170841766 /nfs/dbraw/zinc/84/17/66/1170841766.db2.gz KHVULRHUQXQIOT-KCYZZUKISA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001691279747 1171025474 /nfs/dbraw/zinc/02/54/74/1171025474.db2.gz BPXNRZRBWJDJIH-BBWFWOEESA-N 2 0 351.495 0.273 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001691283895 1171033257 /nfs/dbraw/zinc/03/32/57/1171033257.db2.gz SVLCMDMPWHLTGY-ZWKOTPCHSA-N 2 0 363.506 0.682 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001691314156 1171074549 /nfs/dbraw/zinc/07/45/49/1171074549.db2.gz IFJHPCGBTTXWMQ-IXDOHACOSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001691328151 1171107277 /nfs/dbraw/zinc/10/72/77/1171107277.db2.gz PZFDVGAEAUSVIP-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001691335286 1171135777 /nfs/dbraw/zinc/13/57/77/1171135777.db2.gz LHEHHMZKEOUDPG-FRRDWIJNSA-N 2 0 364.412 0.443 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(CC)CC ZINC001691338073 1171145316 /nfs/dbraw/zinc/14/53/16/1171145316.db2.gz UBVDWDBVOBWOQS-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(CC)CC ZINC001691338074 1171145942 /nfs/dbraw/zinc/14/59/42/1171145942.db2.gz UBVDWDBVOBWOQS-GVDBMIGSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001691362242 1171207033 /nfs/dbraw/zinc/20/70/33/1171207033.db2.gz HLTXKRZTINGUIQ-FMKPAKJESA-N 2 0 370.457 0.971 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953766 1171219847 /nfs/dbraw/zinc/21/98/47/1171219847.db2.gz AURVWUIRFSTVGG-QXSJWSMHSA-N 2 0 365.478 0.295 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@H]21 ZINC000972153060 1171806619 /nfs/dbraw/zinc/80/66/19/1171806619.db2.gz UDHHHZXBRFWACQ-HYVNUMGLSA-N 2 0 359.474 0.884 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248279 1172003094 /nfs/dbraw/zinc/00/30/94/1172003094.db2.gz YQAYLDRXQWDELZ-RYQLBKOJSA-N 2 0 361.490 0.216 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC000972415006 1172097309 /nfs/dbraw/zinc/09/73/09/1172097309.db2.gz LXGCREARTVPKQN-QBPKDAKJSA-N 2 0 360.502 0.482 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000972433747 1172133640 /nfs/dbraw/zinc/13/36/40/1172133640.db2.gz JCPHYKJPZZJZIN-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088621772 1192695592 /nfs/dbraw/zinc/69/55/92/1192695592.db2.gz SQBUIYCMPAYJHR-ZACQAIPSSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000897649534 1192840108 /nfs/dbraw/zinc/84/01/08/1192840108.db2.gz TVEQATGXMLQKPS-LSDHHAIUSA-N 2 0 359.474 0.718 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000898005930 1192853506 /nfs/dbraw/zinc/85/35/06/1192853506.db2.gz LOZZMIMBQDOLHY-ARFHVFGLSA-N 2 0 371.485 0.860 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000898030002 1192855396 /nfs/dbraw/zinc/85/53/96/1192855396.db2.gz KRONQKPVCOIMEQ-HOTGVXAUSA-N 2 0 371.485 0.885 20 0 FCADRP CCc1nocc1CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872306 /nfs/dbraw/zinc/87/23/06/1192872306.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 0 362.474 0.989 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493468 1179437253 /nfs/dbraw/zinc/43/72/53/1179437253.db2.gz ZFTLOTLUEVJGAF-IRXDYDNUSA-N 2 0 365.522 0.666 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1 ZINC001211601181 1179553867 /nfs/dbraw/zinc/55/38/67/1179553867.db2.gz DRXIFCZRAPVKPR-GBESFXJTSA-N 2 0 370.497 0.658 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC000972607487 1179969621 /nfs/dbraw/zinc/96/96/21/1179969621.db2.gz JNZMRYGAZULRPP-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)C1CC1 ZINC000972638379 1180090389 /nfs/dbraw/zinc/09/03/89/1180090389.db2.gz LFBLZLVEFZIGJU-ZACQAIPSSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21)C1CC1 ZINC000972649081 1180187710 /nfs/dbraw/zinc/18/77/10/1180187710.db2.gz MZOWPLSNHIXFSV-ZACQAIPSSA-N 2 0 362.518 0.870 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000080152968 1180423154 /nfs/dbraw/zinc/42/31/54/1180423154.db2.gz BESQNXZLCXGPDR-KRWDZBQOSA-N 2 0 369.554 0.670 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023993806 1180731271 /nfs/dbraw/zinc/73/12/71/1180731271.db2.gz QIHODQAGWGLODR-BZUAXINKSA-N 2 0 363.510 0.752 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024122199 1180852160 /nfs/dbraw/zinc/85/21/60/1180852160.db2.gz QNUWJBOJIFQSES-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024155471 1180911628 /nfs/dbraw/zinc/91/16/28/1180911628.db2.gz RLWWAHBVCGLAJV-GVDBMIGSSA-N 2 0 366.506 0.033 20 0 FCADRP CCc1noc(CN2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939810 1181547129 /nfs/dbraw/zinc/54/71/29/1181547129.db2.gz TZPIYCDSOJAZDE-KSSFIOAISA-N 2 0 365.478 0.681 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000947249863 1181563832 /nfs/dbraw/zinc/56/38/32/1181563832.db2.gz MQDHLWMWCYPDDX-DJIMGWMZSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000947251461 1181813412 /nfs/dbraw/zinc/81/34/12/1181813412.db2.gz NMEIKMRQJGRUTF-BFYDXBDKSA-N 2 0 366.506 0.297 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](O)[C@H](F)C1 ZINC000892542905 1181843296 /nfs/dbraw/zinc/84/32/96/1181843296.db2.gz BLUFSCPRLVIJEU-IAGOWNOFSA-N 2 0 365.453 0.708 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000659073624 1181986696 /nfs/dbraw/zinc/98/66/96/1181986696.db2.gz BIANKFJKURDOAA-SJORKVTESA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000973332283 1182242385 /nfs/dbraw/zinc/24/23/85/1182242385.db2.gz KPRSFXHDYFQBNT-FGTAOJJYSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104599776 1182268034 /nfs/dbraw/zinc/26/80/34/1182268034.db2.gz DCLDWOFIDRRZSR-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1)[NH+](C)C ZINC001025435193 1182378890 /nfs/dbraw/zinc/37/88/90/1182378890.db2.gz REODCPZWIVGYCX-IXDOHACOSA-N 2 0 368.522 0.135 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H]1CN1CCOCC1 ZINC000892776333 1182496556 /nfs/dbraw/zinc/49/65/56/1182496556.db2.gz GRWCEORKNIWESL-SJORKVTESA-N 2 0 366.506 0.651 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789601 1182506891 /nfs/dbraw/zinc/50/68/91/1182506891.db2.gz QSPLEWHITACAAC-SJORKVTESA-N 2 0 359.474 0.197 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892920157 1182579485 /nfs/dbraw/zinc/57/94/85/1182579485.db2.gz UBRSXLADIADAAU-SJORKVTESA-N 2 0 365.522 0.807 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000892933840 1182595334 /nfs/dbraw/zinc/59/53/34/1182595334.db2.gz QSRUPOFKIUKRJO-HOTGVXAUSA-N 2 0 365.522 0.890 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000892933839 1182599597 /nfs/dbraw/zinc/59/95/97/1182599597.db2.gz QSRUPOFKIUKRJO-CVEARBPZSA-N 2 0 365.522 0.890 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789589 1182839555 /nfs/dbraw/zinc/83/95/55/1182839555.db2.gz QAVGFIFALQXXDW-KDGIVYDMSA-N 2 0 365.518 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794064 1182845879 /nfs/dbraw/zinc/84/58/79/1182845879.db2.gz RVTYDZPWFXGKLR-IKIFYQGPSA-N 2 0 362.518 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)CC[N@@H+]1C ZINC001025794968 1182847007 /nfs/dbraw/zinc/84/70/07/1182847007.db2.gz HHURMACZLIIXHX-SJUNHDGSSA-N 2 0 361.490 0.021 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818268 1182859264 /nfs/dbraw/zinc/85/92/64/1182859264.db2.gz MQUMACDOWNCHKJ-FSPSIFDESA-N 2 0 365.518 0.693 20 0 FCADRP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001025919022 1182868219 /nfs/dbraw/zinc/86/82/19/1182868219.db2.gz AJHCONIGYKODED-ZXLDYLNASA-N 2 0 369.481 0.661 20 0 FCADRP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104907930 1182989572 /nfs/dbraw/zinc/98/95/72/1182989572.db2.gz ADYNTBLKRNFHLB-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104907979 1182990157 /nfs/dbraw/zinc/99/01/57/1182990157.db2.gz CPYSJEFDUDWICJ-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104911969 1182990707 /nfs/dbraw/zinc/99/07/07/1182990707.db2.gz JKHVWNVJPQULST-NVXWUHKLSA-N 2 0 362.518 0.683 20 0 FCADRP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1C ZINC001104908315 1182990735 /nfs/dbraw/zinc/99/07/35/1182990735.db2.gz RFKPYXBYPFOOJV-NVXWUHKLSA-N 2 0 365.522 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104911962 1182991359 /nfs/dbraw/zinc/99/13/59/1182991359.db2.gz JFIJSNGMVREKDF-HZPDHXFCSA-N 2 0 363.506 0.182 20 0 FCADRP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)ncn1 ZINC001104908280 1182991413 /nfs/dbraw/zinc/99/14/13/1182991413.db2.gz PXMMEESBUUMRBB-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104958432 1183022794 /nfs/dbraw/zinc/02/27/94/1183022794.db2.gz VDKVHSKHNRLNMS-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(CN(C)C)on3)C2)CC[N@@H+]1C ZINC000974187442 1183035170 /nfs/dbraw/zinc/03/51/70/1183035170.db2.gz PRLIGBDUNQZVFQ-GUIRCDHDSA-N 2 0 363.462 0.453 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000974186349 1183040913 /nfs/dbraw/zinc/04/09/13/1183040913.db2.gz KPRSFXHDYFQBNT-SOVHRIKKSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001105007918 1183065345 /nfs/dbraw/zinc/06/53/45/1183065345.db2.gz IIPARUWUYUCXSA-KFWWJZLASA-N 2 0 361.494 0.534 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014378 1183068797 /nfs/dbraw/zinc/06/87/97/1183068797.db2.gz MTHYCVGGCMADBJ-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105016962 1183069894 /nfs/dbraw/zinc/06/98/94/1183069894.db2.gz IXPLLXRTYJSSHM-FGTMMUONSA-N 2 0 371.522 0.038 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105016810 1183070427 /nfs/dbraw/zinc/07/04/27/1183070427.db2.gz AWDLVTIIHNKGJH-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001105016826 1183070509 /nfs/dbraw/zinc/07/05/09/1183070509.db2.gz BOPFLNJMEJGBKW-BRWVUGGUSA-N 2 0 368.522 0.117 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974468388 1183225760 /nfs/dbraw/zinc/22/57/60/1183225760.db2.gz MQOADZWLZAMARE-IXDOHACOSA-N 2 0 360.502 0.626 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCN3C(=O)CCC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974587311 1183366318 /nfs/dbraw/zinc/36/63/18/1183366318.db2.gz JQOHDTUHDIXJIE-KFWWJZLASA-N 2 0 364.490 0.302 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001026851313 1183411674 /nfs/dbraw/zinc/41/16/74/1183411674.db2.gz CCLYDONVMPUGJF-HZSPNIEDSA-N 2 0 370.448 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001026853432 1183423344 /nfs/dbraw/zinc/42/33/44/1183423344.db2.gz HADAZYIZMYRUPG-HRCADAONSA-N 2 0 363.510 0.922 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001691777834 1183426855 /nfs/dbraw/zinc/42/68/55/1183426855.db2.gz XMWFWKPSQRKAMV-MDZRGWNJSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)[NH+](C)C ZINC000974690495 1183449789 /nfs/dbraw/zinc/44/97/89/1183449789.db2.gz PXFIHAVWCGOFCA-BRWVUGGUSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC000975214432 1183777775 /nfs/dbraw/zinc/77/77/75/1183777775.db2.gz ASUIORBNZYUVRJ-JFIYKMOQSA-N 2 0 362.518 0.872 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211662140 1183828388 /nfs/dbraw/zinc/82/83/88/1183828388.db2.gz UBLBIXRFHDLRFQ-GBESFXJTSA-N 2 0 363.502 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC000975718533 1185637284 /nfs/dbraw/zinc/63/72/84/1185637284.db2.gz IZEZMZZQJSENMA-BBWFWOEESA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981769744 1186520185 /nfs/dbraw/zinc/52/01/85/1186520185.db2.gz IBEUFKUBEXXPFF-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619715 1186716304 /nfs/dbraw/zinc/71/63/04/1186716304.db2.gz MHLSUBMKBPSPBV-NUEKZKHPSA-N 2 0 370.457 0.150 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720846 1187465892 /nfs/dbraw/zinc/46/58/92/1187465892.db2.gz QXHLLGFREHCGAD-OKZBNKHCSA-N 2 0 358.486 0.611 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720845 1187465967 /nfs/dbraw/zinc/46/59/67/1187465967.db2.gz QXHLLGFREHCGAD-FGTMMUONSA-N 2 0 358.486 0.611 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211722331 1187470107 /nfs/dbraw/zinc/47/01/07/1187470107.db2.gz GDXOJBSLWKQQLD-RBUKOAKNSA-N 2 0 361.486 0.675 20 0 FCADRP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cn1 ZINC000893871304 1187520025 /nfs/dbraw/zinc/52/00/25/1187520025.db2.gz JJKVTRLNZOXNGK-JKSUJKDBSA-N 2 0 359.474 0.730 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CCOCC1 ZINC000549881987 1187574169 /nfs/dbraw/zinc/57/41/69/1187574169.db2.gz FXYBVVUOCOFHRJ-BBWFWOEESA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001028550908 1187602808 /nfs/dbraw/zinc/60/28/08/1187602808.db2.gz URJRZAZKGNUVNJ-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CCCn1nnnc1CN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552024 1187604278 /nfs/dbraw/zinc/60/42/78/1187604278.db2.gz DNRXMXHXOBEMMO-OWCLPIDISA-N 2 0 363.510 0.752 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000982929331 1187800234 /nfs/dbraw/zinc/80/02/34/1187800234.db2.gz AVJRNDQYVSIJGP-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)[NH+]1CCCC1 ZINC001270491791 1188172933 /nfs/dbraw/zinc/17/29/33/1188172933.db2.gz YHYCXQFAISALHV-APWZRJJASA-N 2 0 366.506 0.110 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000550034973 1188213154 /nfs/dbraw/zinc/21/31/54/1188213154.db2.gz PPFWCOIJKWQJSD-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP CCOC1CC(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)(N2CCOCC2)C1 ZINC000894463947 1188219872 /nfs/dbraw/zinc/21/98/72/1188219872.db2.gz BMCDSGJYGNJQAU-SDDULXJBSA-N 2 0 366.506 0.602 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001270666616 1188244763 /nfs/dbraw/zinc/24/47/63/1188244763.db2.gz CQCGCFCVMYCAHF-SCTDSRPQSA-N 2 0 360.502 0.802 20 0 FCADRP C[C@@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111597 1188293533 /nfs/dbraw/zinc/29/35/33/1188293533.db2.gz KYCFIHDFPHXAHB-IIDMSEBBSA-N 2 0 363.506 0.856 20 0 FCADRP CNC(=O)CN1CCO[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167988646 1188320794 /nfs/dbraw/zinc/32/07/94/1188320794.db2.gz LQAHNLWIRJPIAC-VEHMJYNQSA-N 2 0 362.518 0.523 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000550355843 1188342598 /nfs/dbraw/zinc/34/25/98/1188342598.db2.gz JCRITHBBQAELDQ-NVXWUHKLSA-N 2 0 366.506 0.202 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550383830 1188344260 /nfs/dbraw/zinc/34/42/60/1188344260.db2.gz VFQZMNXINUEFOG-QGZVFWFLSA-N 2 0 369.554 0.175 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000550381817 1188344603 /nfs/dbraw/zinc/34/46/03/1188344603.db2.gz IFYDRXLZHACLFR-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cn1 ZINC000984011350 1189370419 /nfs/dbraw/zinc/37/04/19/1189370419.db2.gz CDFCFBIDDJCNKR-MWQQHZPXSA-N 2 0 362.474 0.794 20 0 FCADRP COc1nccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075812151 1189588708 /nfs/dbraw/zinc/58/87/08/1189588708.db2.gz XOIHJNCSJQTZSH-YALNPMBYSA-N 2 0 359.474 0.858 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1CCCC1=O ZINC001087574708 1189615113 /nfs/dbraw/zinc/61/51/13/1189615113.db2.gz UEEXFGNJKIVLAH-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087726170 1189804430 /nfs/dbraw/zinc/80/44/30/1189804430.db2.gz ULJXMGVIWROBBI-OWCLPIDISA-N 2 0 364.490 0.589 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000550517690 1189809744 /nfs/dbraw/zinc/80/97/44/1189809744.db2.gz IISIAAYOLMHAJH-OAHLLOKOSA-N 2 0 368.522 0.281 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087797553 1189827917 /nfs/dbraw/zinc/82/79/17/1189827917.db2.gz WBLLSGCSAUQBLO-DLBZAZTESA-N 2 0 361.490 0.944 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC001087799179 1189828455 /nfs/dbraw/zinc/82/84/55/1189828455.db2.gz HGYCZJOLPJOAJJ-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895629089 1189870146 /nfs/dbraw/zinc/87/01/46/1189870146.db2.gz LYHNPQDAIZVBMU-IEBWSBKVSA-N 2 0 358.486 0.912 20 0 FCADRP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896468694 1190064525 /nfs/dbraw/zinc/06/45/25/1190064525.db2.gz BZGVBLBEBHDYAR-SFHVURJKSA-N 2 0 369.554 0.860 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993197 1190144234 /nfs/dbraw/zinc/14/42/34/1190144234.db2.gz DUOKUZNZDDVOCN-ZIFCJYIRSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088002411 1190181674 /nfs/dbraw/zinc/18/16/74/1190181674.db2.gz DKADWGKKTLSHFT-GJYPPUQNSA-N 2 0 364.534 0.974 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088002627 1190184066 /nfs/dbraw/zinc/18/40/66/1190184066.db2.gz NJXGDLKJMVADJB-IKGGRYGDSA-N 2 0 365.522 0.378 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000984895167 1190224081 /nfs/dbraw/zinc/22/40/81/1190224081.db2.gz JRGNFKMCTUSOQQ-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026400 1190262260 /nfs/dbraw/zinc/26/22/60/1190262260.db2.gz HZSGBILLYWOAAD-IXDOHACOSA-N 2 0 360.502 0.674 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088028056 1190267227 /nfs/dbraw/zinc/26/72/27/1190267227.db2.gz SEKRYRWSBPUOCL-VYDXJSESSA-N 2 0 353.426 0.617 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041809 1190299466 /nfs/dbraw/zinc/29/94/66/1190299466.db2.gz KPQLWNBYBQOBEG-KMFMINBZSA-N 2 0 355.442 0.992 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088064593 1190343902 /nfs/dbraw/zinc/34/39/02/1190343902.db2.gz MAEBXMVPQUAPQL-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088130567 1190632463 /nfs/dbraw/zinc/63/24/63/1190632463.db2.gz VAKXBIUIECLKAO-SQNIBIBYSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(CCc1c[nH]cn1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075866774 1190719424 /nfs/dbraw/zinc/71/94/24/1190719424.db2.gz RCPZRMHHMTXCJG-USXIJHARSA-N 2 0 358.446 0.133 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)[NH+](C)C ZINC000986132449 1190902808 /nfs/dbraw/zinc/90/28/08/1190902808.db2.gz YIAJVCHNLLXZKW-ZIFCJYIRSA-N 2 0 364.534 0.975 20 0 FCADRP Cc1cncn1CC(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC000986141446 1190904692 /nfs/dbraw/zinc/90/46/92/1190904692.db2.gz OSKXEGQAIAPDTC-SJORKVTESA-N 2 0 370.457 0.704 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1 ZINC000986337228 1190952315 /nfs/dbraw/zinc/95/23/15/1190952315.db2.gz DMTBIEDNIWMPDC-KURKYZTESA-N 2 0 362.518 0.587 20 0 FCADRP COc1cc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)ccc1OCC[NH+](C)C ZINC000262826462 1190976918 /nfs/dbraw/zinc/97/69/18/1190976918.db2.gz YHGBDIJKPINCKW-UHFFFAOYSA-N 2 0 373.457 0.934 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1 ZINC000986682798 1191086101 /nfs/dbraw/zinc/08/61/01/1191086101.db2.gz IGGMRZLHRBOFHS-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP COC(=O)C1=C[C@@H](OCCN2CC[NH2+]CC2)C[N@H+](Cc2ccccc2)C1 ZINC001217929604 1224132587 /nfs/dbraw/zinc/13/25/87/1224132587.db2.gz HPSDMLQIIQYOAR-LJQANCHMSA-N 2 0 359.470 0.892 20 0 FCADRP COC(=O)N1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000729611304 1191189371 /nfs/dbraw/zinc/18/93/71/1191189371.db2.gz OAMNFFYNUMHWQP-OAHLLOKOSA-N 2 0 369.510 0.885 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC[N@@H+]1C ZINC000988388213 1191205636 /nfs/dbraw/zinc/20/56/36/1191205636.db2.gz MNJWXAPTPGCAKT-BHYGNILZSA-N 2 0 361.490 0.989 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cncc4C3)[C@H]2C1 ZINC001218181623 1224146153 /nfs/dbraw/zinc/14/61/53/1224146153.db2.gz WHVRAADPMUYSMX-BPQIPLTHSA-N 2 0 362.474 0.784 20 0 FCADRP Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])on1 ZINC001218501691 1224163771 /nfs/dbraw/zinc/16/37/71/1224163771.db2.gz SHHFUDARSODMNY-KCXAZCMYSA-N 2 0 365.478 0.478 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088693328 1193739242 /nfs/dbraw/zinc/73/92/42/1193739242.db2.gz VKVBKTIHRSECOO-IXDOHACOSA-N 2 0 365.522 0.711 20 0 FCADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C1 ZINC000550761347 1193762140 /nfs/dbraw/zinc/76/21/40/1193762140.db2.gz BULAOKFXRMLHTP-KRWDZBQOSA-N 2 0 369.469 0.753 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691621467 1193807267 /nfs/dbraw/zinc/80/72/67/1193807267.db2.gz WQYCLGBEIVRRJI-MELADBBJSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000550986096 1193824609 /nfs/dbraw/zinc/82/46/09/1193824609.db2.gz MYRIUOQFXPMHOT-ZBFHGGJFSA-N 2 0 364.490 0.971 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557714 1224173194 /nfs/dbraw/zinc/17/31/94/1224173194.db2.gz IFNXIKCFFPRSRP-FGTMMUONSA-N 2 0 371.522 0.273 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694704 1193867287 /nfs/dbraw/zinc/86/72/87/1193867287.db2.gz WMHSNIUZNGZOJI-DLBZAZTESA-N 3 0 369.554 0.175 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1noc2nccnc12 ZINC001218574624 1224175021 /nfs/dbraw/zinc/17/50/21/1224175021.db2.gz NMTGRXPFVVRTQL-QWRGUYRKSA-N 2 0 361.406 0.004 20 0 FCADRP Cc1ncc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757202 1193891716 /nfs/dbraw/zinc/89/17/16/1193891716.db2.gz NHSQEDVIDGXSEB-QEVJQSPQSA-N 2 0 360.458 0.925 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552750411 1193950130 /nfs/dbraw/zinc/95/01/30/1193950130.db2.gz XHFSBEGBOOSXAO-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000553094138 1193971602 /nfs/dbraw/zinc/97/16/02/1193971602.db2.gz VBJMKWNCJMVABL-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105670100 1193998127 /nfs/dbraw/zinc/99/81/27/1193998127.db2.gz XTOPXPGJTPURBA-RWQQGDIJSA-N 2 0 364.490 0.873 20 0 FCADRP COc1cnc(NCC2=CC[N@H+](C)CC2)nc1NCC1=CC[NH+](C)CC1 ZINC000553516457 1194004332 /nfs/dbraw/zinc/00/43/32/1194004332.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 2 0 358.490 0.677 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001218639804 1224187730 /nfs/dbraw/zinc/18/77/30/1224187730.db2.gz DEQDSQNZOYCVBT-KDOFPFPSSA-N 2 0 352.398 0.075 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506101 1194054992 /nfs/dbraw/zinc/05/49/92/1194054992.db2.gz PZFASMQVJBZMIZ-SQNIBIBYSA-N 2 0 363.506 0.536 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCOC23CCOCC3)C[C@H]1C[NH+](C)C ZINC000898774136 1194075105 /nfs/dbraw/zinc/07/51/05/1194075105.db2.gz DHQMYQRBISAPHK-BRWVUGGUSA-N 2 0 368.522 0.705 20 0 FCADRP C[NH+]1CC(C(=O)N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)C1 ZINC001142594163 1194081193 /nfs/dbraw/zinc/08/11/93/1194081193.db2.gz AKKIJKKOSCVDTD-UHFFFAOYSA-N 2 0 356.474 0.780 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000842188409 1194085046 /nfs/dbraw/zinc/08/50/46/1194085046.db2.gz FOLQBLSYJJKGOX-JXFKEZNVSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191463 1194086112 /nfs/dbraw/zinc/08/61/12/1194086112.db2.gz XVKNSSOBQVDQPV-YLJYHZDGSA-N 2 0 358.486 0.822 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842232065 1194106589 /nfs/dbraw/zinc/10/65/89/1194106589.db2.gz CXYDFWHNZGPJES-GOSISDBHSA-N 2 0 360.502 0.735 20 0 FCADRP Cc1nccnc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518681 1194122505 /nfs/dbraw/zinc/12/25/05/1194122505.db2.gz LJGUKEUNNWUASR-JQHSSLGASA-N 2 0 361.490 0.424 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521945 1194135161 /nfs/dbraw/zinc/13/51/61/1194135161.db2.gz NBPNOEBZYRCDBO-OTWHNJEPSA-N 2 0 367.534 0.942 20 0 FCADRP COc1ccc(N)c(N(C(=O)[C@H]([NH3+])CCC[NH3+])C2COC(C)(C)OC2)n1 ZINC001218685666 1224196822 /nfs/dbraw/zinc/19/68/22/1224196822.db2.gz ONOCEGMYJGELRH-CYBMUJFWSA-N 2 0 367.450 0.223 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)C1CC[NH2+]CC1 ZINC001218695054 1224197802 /nfs/dbraw/zinc/19/78/02/1224197802.db2.gz KIMKBKOLLFWGCS-AUUYWEPGSA-N 2 0 359.474 0.908 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]21 ZINC001076070515 1194291557 /nfs/dbraw/zinc/29/15/57/1194291557.db2.gz MWPATDHUDLVHEU-VVJOJPPRSA-N 2 0 371.485 0.279 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001218726255 1224206218 /nfs/dbraw/zinc/20/62/18/1224206218.db2.gz DGXGVDYDXFLPBN-DLBZAZTESA-N 2 0 359.474 0.835 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001076205075 1194352360 /nfs/dbraw/zinc/35/23/60/1194352360.db2.gz MKDIRELKAXLFEH-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246725 1194366121 /nfs/dbraw/zinc/36/61/21/1194366121.db2.gz HNINDLIPYCULKD-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)cn1 ZINC001076349672 1194411943 /nfs/dbraw/zinc/41/19/43/1194411943.db2.gz PCWOVFARALYYEQ-SOLBZPMBSA-N 2 0 361.490 0.628 20 0 FCADRP NC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001076467040 1194500940 /nfs/dbraw/zinc/50/09/40/1194500940.db2.gz ADHOLEOJQFNQJP-ZWKOTPCHSA-N 2 0 368.481 0.914 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469138 1194502674 /nfs/dbraw/zinc/50/26/74/1194502674.db2.gz SNCRPNXLFGGDHA-HRCADAONSA-N 2 0 356.474 0.394 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218813572 1224229055 /nfs/dbraw/zinc/22/90/55/1224229055.db2.gz BEHISONEHSZJPI-IPMKNSEASA-N 2 0 361.486 0.973 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218819538 1224232719 /nfs/dbraw/zinc/23/27/19/1224232719.db2.gz JBLQCDAXXDFJFW-YESZJQIVSA-N 2 0 366.506 0.249 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1CN1CCOCC1 ZINC001218847710 1224239393 /nfs/dbraw/zinc/23/93/93/1224239393.db2.gz OVKQNNZJDPHMDQ-KRWDZBQOSA-N 2 0 361.490 0.208 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218854946 1224240985 /nfs/dbraw/zinc/24/09/85/1224240985.db2.gz CYHMEGREXVJUFT-KRWDZBQOSA-N 3 0 373.501 0.506 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874609 1224243903 /nfs/dbraw/zinc/24/39/03/1224243903.db2.gz ZQWUSXMGHIXNME-QGZVFWFLSA-N 2 0 358.446 0.033 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1n[nH]c2c1CC[NH2+]C2 ZINC001218883369 1224247931 /nfs/dbraw/zinc/24/79/31/1224247931.db2.gz IEYUMNODAYKFBC-UHFFFAOYSA-N 2 0 354.414 0.353 20 0 FCADRP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)C1 ZINC001083563137 1195218793 /nfs/dbraw/zinc/21/87/93/1195218793.db2.gz APTHYUBWHPFOIH-ZACQAIPSSA-N 2 0 365.518 0.839 20 0 FCADRP Cc1cc(CN2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)ncn1 ZINC001083563211 1195219132 /nfs/dbraw/zinc/21/91/32/1195219132.db2.gz DXEIKWCYSVJDRU-SJORKVTESA-N 2 0 359.474 0.322 20 0 FCADRP C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001218945100 1224268165 /nfs/dbraw/zinc/26/81/65/1224268165.db2.gz JSELILLDQBVVTI-BBEGDGIKSA-N 2 0 355.442 0.684 20 0 FCADRP C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218943751 1224269163 /nfs/dbraw/zinc/26/91/63/1224269163.db2.gz ACEMGDODJGDCGB-LRDDRELGSA-N 2 0 372.473 0.236 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366516 1195465867 /nfs/dbraw/zinc/46/58/67/1195465867.db2.gz MMVTZMGDXXEZQB-BMGDILEWSA-N 2 0 371.441 0.469 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)cc2C1 ZINC000904509194 1195540755 /nfs/dbraw/zinc/54/07/55/1195540755.db2.gz DORPBMVIYTWPEA-FHLIZLRMSA-N 2 0 359.474 0.961 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905046415 1195571864 /nfs/dbraw/zinc/57/18/64/1195571864.db2.gz ADFOGQMGVZSYQZ-PMACEKPBSA-N 2 0 363.502 0.426 20 0 FCADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)(N2CCOCC2)CC1 ZINC000905285114 1195580940 /nfs/dbraw/zinc/58/09/40/1195580940.db2.gz GBHFCZRZMLGOGF-SFHVURJKSA-N 2 0 369.550 0.819 20 0 FCADRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC2(O)CCCCC2)(N2CCOCC2)CC1 ZINC000905285113 1195580987 /nfs/dbraw/zinc/58/09/87/1195580987.db2.gz GBHFCZRZMLGOGF-GOSISDBHSA-N 2 0 369.550 0.819 20 0 FCADRP CN(C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590512 1195585294 /nfs/dbraw/zinc/58/52/94/1195585294.db2.gz ISUVFPCQHOGYAP-XKQJLSEDSA-N 2 0 366.462 0.470 20 0 FCADRP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906665286 1195643647 /nfs/dbraw/zinc/64/36/47/1195643647.db2.gz VGQTXXFBTZOFGZ-QGZVFWFLSA-N 3 0 373.501 0.711 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000907292081 1195688248 /nfs/dbraw/zinc/68/82/48/1195688248.db2.gz OCWBJFDIHIWZLQ-LJQANCHMSA-N 2 0 360.502 0.363 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000907736184 1195709814 /nfs/dbraw/zinc/70/98/14/1195709814.db2.gz CFVZSYZJRYDNED-HXUWFJFHSA-N 2 0 374.529 0.887 20 0 FCADRP CCOC(=O)[C@H]1CCCN(CC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000907835945 1195714524 /nfs/dbraw/zinc/71/45/24/1195714524.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 0 369.506 0.831 20 0 FCADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000908001149 1195719504 /nfs/dbraw/zinc/71/95/04/1195719504.db2.gz LEZIHZMGAWGMQP-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](CNC(=O)c1cnc(C(=O)NC[C@@H](C)C[NH+](C)C)cn1)C[NH+](C)C ZINC000908348626 1195739410 /nfs/dbraw/zinc/73/94/10/1195739410.db2.gz XMOCYHNXEIAZLR-ZIAGYGMSSA-N 2 0 364.494 0.332 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633362 1195806409 /nfs/dbraw/zinc/80/64/09/1195806409.db2.gz UKSHAEMLEYTJHV-OLMNPRSZSA-N 2 0 371.441 0.469 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910836693 1195849139 /nfs/dbraw/zinc/84/91/39/1195849139.db2.gz IUJZFBAXAIDOAL-INIZCTEOSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000910829228 1195850641 /nfs/dbraw/zinc/85/06/41/1195850641.db2.gz ADYVOUBMJHKHLF-INIZCTEOSA-N 2 0 373.501 0.919 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000910831219 1195850913 /nfs/dbraw/zinc/85/09/13/1195850913.db2.gz WUYAUBOXDKZXRE-JXFKEZNVSA-N 2 0 371.485 0.673 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000910832425 1195851418 /nfs/dbraw/zinc/85/14/18/1195851418.db2.gz QMKWBYIQJUYZIE-DLBZAZTESA-N 2 0 373.501 0.919 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910832281 1195851498 /nfs/dbraw/zinc/85/14/98/1195851498.db2.gz MDTIUPPFIOSKEP-RDJZCZTQSA-N 2 0 359.474 0.671 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000910962418 1195869139 /nfs/dbraw/zinc/86/91/39/1195869139.db2.gz DMRJSJNWLZZSJH-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000911013326 1195878089 /nfs/dbraw/zinc/87/80/89/1195878089.db2.gz ZQHLTOSPPFVBAJ-BBWFWOEESA-N 2 0 366.506 0.129 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911101184 1195889734 /nfs/dbraw/zinc/88/97/34/1195889734.db2.gz ICGXTEIIJIZRLO-CKEIUWERSA-N 2 0 359.474 0.529 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000911146826 1195898200 /nfs/dbraw/zinc/89/82/00/1195898200.db2.gz SRELYRQPRNEUMB-UHFFFAOYSA-N 2 0 373.501 0.048 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911195528 1195918818 /nfs/dbraw/zinc/91/88/18/1195918818.db2.gz ULDPUTCXNXXOMY-QXCFHYIPSA-N 2 0 370.497 0.691 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911256692 1195927727 /nfs/dbraw/zinc/92/77/27/1195927727.db2.gz ZETQXKOBIVLTQK-LSDHHAIUSA-N 2 0 366.506 0.060 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000911324394 1195933185 /nfs/dbraw/zinc/93/31/85/1195933185.db2.gz BVBDPNRZNBMTPA-BSDSXHPESA-N 2 0 356.470 0.860 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911333765 1195935458 /nfs/dbraw/zinc/93/54/58/1195935458.db2.gz UWIYVXUCEMHANZ-BMGDILEWSA-N 2 0 358.486 0.964 20 0 FCADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1)OC ZINC001083669171 1196392439 /nfs/dbraw/zinc/39/24/39/1196392439.db2.gz WMUOVTUTEDXEGZ-QRQLOZEOSA-N 2 0 363.502 0.991 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)c21 ZINC000592566597 1196569119 /nfs/dbraw/zinc/56/91/19/1196569119.db2.gz NXMWVZKPWWWOCL-QQFBHYJXSA-N 2 0 360.506 0.665 20 0 FCADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000592964592 1196596983 /nfs/dbraw/zinc/59/69/83/1196596983.db2.gz SIJIRTRPOYNUTK-GOSISDBHSA-N 2 0 374.485 0.411 20 0 FCADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219116381 1224360775 /nfs/dbraw/zinc/36/07/75/1224360775.db2.gz MGDKQZUVQGOVEO-MRXNPFEDSA-N 2 0 357.458 0.151 20 0 FCADRP O=C(Nc1cc(F)ccc1OCC1CC[NH2+]CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219130981 1224363466 /nfs/dbraw/zinc/36/34/66/1224363466.db2.gz WEAVZFPKNAXWDI-OAHLLOKOSA-N 3 0 362.449 0.952 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736327 1196736147 /nfs/dbraw/zinc/73/61/47/1196736147.db2.gz AIIQCGGZJUTVLB-PKOBYXMFSA-N 2 0 358.486 0.905 20 0 FCADRP COc1coc(CN2CC[C@H](NC(=O)Cn3ccnc3C)[C@H]2C)cc1=O ZINC001089040792 1196873093 /nfs/dbraw/zinc/87/30/93/1196873093.db2.gz MGOGDSOWKSAVLI-DOMZBBRYSA-N 2 0 360.414 0.933 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@H]1[NH2+]CC[C@H]1O ZINC001219193776 1224382564 /nfs/dbraw/zinc/38/25/64/1224382564.db2.gz MKJJCHBCOWXKBZ-CABCVRRESA-N 2 0 372.391 0.772 20 0 FCADRP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001691639645 1197039871 /nfs/dbraw/zinc/03/98/71/1197039871.db2.gz DMPJJSUWPVZCMX-LSDHHAIUSA-N 2 0 367.519 0.943 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000992398369 1197087411 /nfs/dbraw/zinc/08/74/11/1197087411.db2.gz BPQHHYIEODPAAS-RCCFBDPRSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001483735310 1197170249 /nfs/dbraw/zinc/17/02/49/1197170249.db2.gz RTMSOAFQOOTWHA-GHMZBOCLSA-N 2 0 350.385 0.244 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106139246 1197232236 /nfs/dbraw/zinc/23/22/36/1197232236.db2.gz PIZZCZDGTWHHRQ-ZTFGCOKTSA-N 2 0 362.518 0.539 20 0 FCADRP Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219266694 1224409403 /nfs/dbraw/zinc/40/94/03/1224409403.db2.gz SLZQNHSTGINIMV-WMZOPIPTSA-N 2 0 373.501 0.995 20 0 FCADRP [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001219290765 1224416619 /nfs/dbraw/zinc/41/66/19/1224416619.db2.gz KUCJZKONWOQQPQ-CQSZACIVSA-N 2 0 363.437 0.022 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC000992951048 1197628904 /nfs/dbraw/zinc/62/89/04/1197628904.db2.gz INOMGFYMTDXORT-XKGZKEIXSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC000993023974 1197687158 /nfs/dbraw/zinc/68/71/58/1197687158.db2.gz INOMGFYMTDXORT-POAQFYNOSA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000734277095 1197743570 /nfs/dbraw/zinc/74/35/70/1197743570.db2.gz XSEZHLOQMZZRJJ-CABCVRRESA-N 2 0 367.494 0.685 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106245937 1197779513 /nfs/dbraw/zinc/77/95/13/1197779513.db2.gz GJPOYPAATIOXSP-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249260 1197781415 /nfs/dbraw/zinc/78/14/15/1197781415.db2.gz DVDFNTVVILWIHL-OLMNPRSZSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106255638 1197791816 /nfs/dbraw/zinc/79/18/16/1197791816.db2.gz BSPIHRRQSVVXCX-NUJGCVRESA-N 2 0 363.506 0.412 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255665 1197793005 /nfs/dbraw/zinc/79/30/05/1197793005.db2.gz DKCHCSLHUVQIEJ-NUJGCVRESA-N 2 0 371.522 0.179 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667524 1197802144 /nfs/dbraw/zinc/80/21/44/1197802144.db2.gz HGTLRSLTSZGCAU-BZSNNMDCSA-N 2 0 365.522 0.271 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)[NH+](C)C ZINC001106282224 1197825760 /nfs/dbraw/zinc/82/57/60/1197825760.db2.gz ZDZFTVXEJDIOCH-NUJGCVRESA-N 2 0 368.522 0.116 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2CC[NH+](C)CC2)nc1=O ZINC001085353089 1197840219 /nfs/dbraw/zinc/84/02/19/1197840219.db2.gz MKSYQLBCNPTDNV-HUUCEWRRSA-N 2 0 364.494 0.357 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1)[NH+](C)C ZINC001106312369 1197862207 /nfs/dbraw/zinc/86/22/07/1197862207.db2.gz DLVQOZXOKMJMHT-BPLDGKMQSA-N 2 0 365.478 0.946 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC000735591034 1197866531 /nfs/dbraw/zinc/86/65/31/1197866531.db2.gz PTFPTWSYQXRWAK-SFHVURJKSA-N 2 0 373.501 0.833 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000735590829 1197868004 /nfs/dbraw/zinc/86/80/04/1197868004.db2.gz LROHHYAWDSQPJW-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2 ZINC001219364276 1224442932 /nfs/dbraw/zinc/44/29/32/1224442932.db2.gz FHEVVLZMAYVMPA-QGZVFWFLSA-N 2 0 357.458 0.494 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001106411931 1197908345 /nfs/dbraw/zinc/90/83/45/1197908345.db2.gz ARFQUZFPUKAHSU-MGPQQGTHSA-N 2 0 356.430 0.439 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]([NH+]3CCCC3)CC1)C2=O ZINC000738268957 1197996103 /nfs/dbraw/zinc/99/61/03/1197996103.db2.gz DWCHFXJKHSWYHT-MRXNPFEDSA-N 2 0 363.506 0.910 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[N@@H+](C3CCCC3)CC1)C2=O ZINC000738270456 1197996557 /nfs/dbraw/zinc/99/65/57/1197996557.db2.gz SBJMJWTWNZGPBS-UHFFFAOYSA-N 2 0 363.506 0.910 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106590828 1198025414 /nfs/dbraw/zinc/02/54/14/1198025414.db2.gz APVGPGSQWHKJLU-FVQBIDKESA-N 2 0 361.490 0.526 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001106600266 1198029257 /nfs/dbraw/zinc/02/92/57/1198029257.db2.gz XBIAAMPLJGOGLT-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621454 1198037903 /nfs/dbraw/zinc/03/79/03/1198037903.db2.gz LRDQFMRAWOTJCM-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001219488884 1224485776 /nfs/dbraw/zinc/48/57/76/1224485776.db2.gz ANTKBGXJCXRZCN-GUYCJALGSA-N 2 0 361.490 0.853 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501305 1224489101 /nfs/dbraw/zinc/48/91/01/1224489101.db2.gz TYMFJMKBEVLLIV-GJEZAEICSA-N 2 0 372.425 0.051 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cn1cccn1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498369 1224488109 /nfs/dbraw/zinc/48/81/09/1224488109.db2.gz XEKRPSZHBXKGAS-KPZWWZAWSA-N 2 0 370.413 0.041 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1[NH2+][C@H]3CC[C@@H]1C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500593 1224488847 /nfs/dbraw/zinc/48/88/47/1224488847.db2.gz FHRGNJGKWDCMCQ-ITOADWEHSA-N 2 0 356.426 0.957 20 0 FCADRP COc1cc2c(cc1NC(=O)COC1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501914 1224490220 /nfs/dbraw/zinc/49/02/20/1224490220.db2.gz ZVIAUKNHVIXCOB-LJQANCHMSA-N 2 0 374.441 0.586 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504558 1224490921 /nfs/dbraw/zinc/49/09/21/1224490921.db2.gz VARBUHCOLCGNBO-APWZRJJASA-N 3 0 373.457 0.144 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@H]1COCC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504984 1224491369 /nfs/dbraw/zinc/49/13/69/1224491369.db2.gz YVJHOQFAVRYTEJ-BBATYDOGSA-N 2 0 360.414 0.195 20 0 FCADRP COc1cc2c(cc1NC(=O)c1ccc(C[NH3+])nc1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219506507 1224492750 /nfs/dbraw/zinc/49/27/50/1224492750.db2.gz KYVUXKJCIIDJDV-IBGZPJMESA-N 2 0 367.409 0.984 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000745794299 1198946088 /nfs/dbraw/zinc/94/60/88/1198946088.db2.gz YORLYWIAYYPZJO-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc(O[C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC001168879594 1199038696 /nfs/dbraw/zinc/03/86/96/1199038696.db2.gz MZQHZSVVZISVRJ-CQSZACIVSA-N 2 0 352.402 0.709 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC[NH+](C)C ZINC001169161983 1199050045 /nfs/dbraw/zinc/05/00/45/1199050045.db2.gz RCZMVVPBSWCGKA-AWEZNQCLSA-N 2 0 364.494 0.534 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219610487 1224527975 /nfs/dbraw/zinc/52/79/75/1224527975.db2.gz OOOVASWAXDMAAN-HFBAOOFYSA-N 2 0 368.359 0.507 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000766959096 1199105520 /nfs/dbraw/zinc/10/55/20/1199105520.db2.gz CTKCOOSEIKLNMW-ZWKOTPCHSA-N 2 0 363.506 0.909 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370169 1199128323 /nfs/dbraw/zinc/12/83/23/1199128323.db2.gz QVENWPJJWWKSTG-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652335 1224545805 /nfs/dbraw/zinc/54/58/05/1224545805.db2.gz SMZPKQAHSNFCRV-NXHRZFHOSA-N 2 0 365.522 0.902 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3o2)C1 ZINC001219697709 1224563647 /nfs/dbraw/zinc/56/36/47/1224563647.db2.gz XCIRJWPVMOCLAN-PBHICJAKSA-N 2 0 358.442 0.348 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)COC1(C)C ZINC001219705841 1224567637 /nfs/dbraw/zinc/56/76/37/1224567637.db2.gz QDZBZHFUHYQNKK-LRDDRELGSA-N 2 0 360.458 0.259 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219726976 1224580111 /nfs/dbraw/zinc/58/01/11/1224580111.db2.gz TTZSLCUABTWABX-GUDVDZBRSA-N 3 0 372.513 0.185 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219729400 1224582023 /nfs/dbraw/zinc/58/20/23/1224582023.db2.gz VNPUUIVUNYYIEH-OTWHNJEPSA-N 3 0 372.513 0.327 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737602 1224586564 /nfs/dbraw/zinc/58/65/64/1224586564.db2.gz ZVYFRXVYPLXWML-PMPSAXMXSA-N 2 0 368.522 0.385 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767945898 1200043082 /nfs/dbraw/zinc/04/30/82/1200043082.db2.gz UQROYNSTPZXHSP-BRSBDYLESA-N 2 0 366.506 0.527 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)N2CCC([NH3+])CC2)cc1 ZINC001219739708 1224587551 /nfs/dbraw/zinc/58/75/51/1224587551.db2.gz VQLFROLRCMAXAM-RBUKOAKNSA-N 2 0 372.513 0.954 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219741633 1224588169 /nfs/dbraw/zinc/58/81/69/1224588169.db2.gz PPLAHURPBYAQPI-HZPDHXFCSA-N 2 0 373.501 0.552 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219744085 1224589294 /nfs/dbraw/zinc/58/92/94/1224589294.db2.gz RSSOLSCTMSZEFZ-JYJNAYRXSA-N 2 0 364.490 0.147 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219745738 1224590139 /nfs/dbraw/zinc/59/01/39/1224590139.db2.gz AMLXLQCPGSAHIG-GJZGRUSLSA-N 2 0 360.458 0.853 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1cccnc1N1CC[NH2+]CC1 ZINC001219746252 1224590837 /nfs/dbraw/zinc/59/08/37/1224590837.db2.gz GZQWZFACQOPCKA-OAHLLOKOSA-N 2 0 359.474 0.522 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219745737 1224591125 /nfs/dbraw/zinc/59/11/25/1224591125.db2.gz AMLXLQCPGSAHIG-CABCVRRESA-N 2 0 360.458 0.853 20 0 FCADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386010 1200110211 /nfs/dbraw/zinc/11/02/11/1200110211.db2.gz VQRZMPJKZVJZRI-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)NCc3nnc4n3CCC[NH2+]C4)C2)c1 ZINC001219750012 1224593936 /nfs/dbraw/zinc/59/39/36/1224593936.db2.gz UJKCMNAWHZRSPB-SJORKVTESA-N 2 0 368.485 0.917 20 0 FCADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301846 1200159908 /nfs/dbraw/zinc/15/99/08/1200159908.db2.gz MZGZUURWSDSGOF-MVJTYMMSSA-N 2 0 363.506 0.941 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219764871 1224601660 /nfs/dbraw/zinc/60/16/60/1224601660.db2.gz NORICLMDNJKJQJ-SOLBZPMBSA-N 2 0 361.490 0.026 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219765906 1224602389 /nfs/dbraw/zinc/60/23/89/1224602389.db2.gz HAUTUJJDYAQGES-REHHDOPLSA-N 2 0 369.513 0.122 20 0 FCADRP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)ccc2c[nH+]cn21 ZINC001109472731 1200315990 /nfs/dbraw/zinc/31/59/90/1200315990.db2.gz CEJUQXZTKVVJHQ-JLSDUUJJSA-N 2 0 358.442 0.987 20 0 FCADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219770820 1224606169 /nfs/dbraw/zinc/60/61/69/1224606169.db2.gz FAOWLRVERIMBMA-LJQANCHMSA-N 2 0 362.449 0.990 20 0 FCADRP Cc1nonc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000745789190 1200466593 /nfs/dbraw/zinc/46/65/93/1200466593.db2.gz GYUHCBVAKQMSLO-UHFFFAOYSA-N 2 0 359.434 0.785 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219790598 1224613515 /nfs/dbraw/zinc/61/35/15/1224613515.db2.gz JXVBXJYBIAHAHB-CQSZACIVSA-N 2 0 374.514 0.894 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219796317 1224616754 /nfs/dbraw/zinc/61/67/54/1224616754.db2.gz VMEKNILJWKWTDP-MOPGFXCFSA-N 3 0 363.550 0.535 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219799772 1224619386 /nfs/dbraw/zinc/61/93/86/1224619386.db2.gz CICMTQQVVNVPIN-LSDHHAIUSA-N 2 0 359.474 0.019 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800183 1224619473 /nfs/dbraw/zinc/61/94/73/1224619473.db2.gz HMXNWFBYUOCRGF-OALUTQOASA-N 2 0 372.513 0.735 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902515 1200600683 /nfs/dbraw/zinc/60/06/83/1200600683.db2.gz NOTDQWHLKXVPBZ-NJAFHUGGSA-N 2 0 369.506 0.482 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219802734 1224622899 /nfs/dbraw/zinc/62/28/99/1224622899.db2.gz BEDPZSZRHBEVMF-FUHIMQAGSA-N 2 0 370.497 0.597 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975968 1200658012 /nfs/dbraw/zinc/65/80/12/1200658012.db2.gz MEBCHWNGPYJGJP-BDXSIMOUSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC ZINC001110019290 1200709324 /nfs/dbraw/zinc/70/93/24/1200709324.db2.gz PQOSLXUXIZGOSI-XGUBFFRZSA-N 2 0 367.494 0.284 20 0 FCADRP Cn1cc(C[C@H]([NH3+])C(=O)NCc2noc3c2C[NH2+]CC3)c2ccccc21 ZINC001219811512 1224628460 /nfs/dbraw/zinc/62/84/60/1224628460.db2.gz UADPBNWVVDZWTE-HNNXBMFYSA-N 2 0 353.426 0.998 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112557714 1200784425 /nfs/dbraw/zinc/78/44/25/1200784425.db2.gz UJBZULALGWFUBC-LPHOPBHVSA-N 2 0 365.522 0.572 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563863 1200800593 /nfs/dbraw/zinc/80/05/93/1200800593.db2.gz QYKBKOAMOYXFGH-LPHOPBHVSA-N 2 0 368.522 0.308 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001219816195 1224632718 /nfs/dbraw/zinc/63/27/18/1224632718.db2.gz CSEJVYWARPQGBZ-SQNIBIBYSA-N 3 0 358.486 0.659 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000746676421 1200878359 /nfs/dbraw/zinc/87/83/59/1200878359.db2.gz VIMKUJIXRRZFHX-KRWDZBQOSA-N 2 0 369.506 0.785 20 0 FCADRP NC1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH+](Cc2ccccc2)CC1 ZINC001219831240 1224642558 /nfs/dbraw/zinc/64/25/58/1224642558.db2.gz CSZWMPRYAWMLAY-KURKYZTESA-N 2 0 358.486 0.473 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219831655 1224643492 /nfs/dbraw/zinc/64/34/92/1224643492.db2.gz SFPRHYMVVXVJHU-XXFFEUEESA-N 2 0 356.470 0.206 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219833401 1224644704 /nfs/dbraw/zinc/64/47/04/1224644704.db2.gz CQUIYMLVSHJNBQ-PHXBYCTMSA-N 2 0 359.470 0.849 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834125 1224644892 /nfs/dbraw/zinc/64/48/92/1224644892.db2.gz OIXRJXPQJLYVAC-XKGZKEIXSA-N 2 0 361.486 0.685 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219838649 1224647481 /nfs/dbraw/zinc/64/74/81/1224647481.db2.gz SNZZVFBEJYNSAK-RBAQFSTRSA-N 2 0 373.497 0.891 20 0 FCADRP C[NH+](C)CCOC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365852 1201073186 /nfs/dbraw/zinc/07/31/86/1201073186.db2.gz HYYWTDZXAMOEEH-IBGZPJMESA-N 2 0 366.506 0.903 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219849670 1224653020 /nfs/dbraw/zinc/65/30/20/1224653020.db2.gz DYMXYLGKUNTKMB-ONIAQPFYSA-N 2 0 362.474 0.357 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)O1 ZINC001170280212 1201206996 /nfs/dbraw/zinc/20/69/96/1201206996.db2.gz VRJAIRFMOSNWHZ-DRRHNWJESA-N 2 0 360.462 0.943 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000793699222 1201258122 /nfs/dbraw/zinc/25/81/22/1201258122.db2.gz KRKVNOFUGAGZMG-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453924 1201312225 /nfs/dbraw/zinc/31/22/25/1201312225.db2.gz PUVYVQMLNGARIH-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH3+] ZINC001219872433 1224665736 /nfs/dbraw/zinc/66/57/36/1224665736.db2.gz FDRFESIFCJILEW-ZLIFDBKOSA-N 2 0 359.474 0.644 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129892368 1201416078 /nfs/dbraw/zinc/41/60/78/1201416078.db2.gz UEZNWXMTXDHPBK-ZACQAIPSSA-N 2 0 364.494 0.265 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894921 1201429706 /nfs/dbraw/zinc/42/97/06/1201429706.db2.gz YBDVNEUYYDPTOM-OIISXLGYSA-N 2 0 364.494 0.265 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129896204 1201430521 /nfs/dbraw/zinc/43/05/21/1201430521.db2.gz SKGNFXJZVUJMAM-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129899624 1201432182 /nfs/dbraw/zinc/43/21/82/1201432182.db2.gz CCNINOKLHFVFNW-IKGGRYGDSA-N 2 0 366.510 0.631 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129924644 1201443804 /nfs/dbraw/zinc/44/38/04/1201443804.db2.gz DIFYQDWIUHIOMU-OAGGEKHMSA-N 2 0 362.478 0.283 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009647 1201477653 /nfs/dbraw/zinc/47/76/53/1201477653.db2.gz ZFYCZICXPZGBAJ-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130047782 1201486442 /nfs/dbraw/zinc/48/64/42/1201486442.db2.gz SXHIDIAJBOLBRW-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130081256 1201491962 /nfs/dbraw/zinc/49/19/62/1201491962.db2.gz FLWHTPBZMRCYHN-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130081257 1201492317 /nfs/dbraw/zinc/49/23/17/1201492317.db2.gz FLWHTPBZMRCYHN-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085943 1201494352 /nfs/dbraw/zinc/49/43/52/1201494352.db2.gz FHFVTXRTYRKSNB-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001130107367 1201503301 /nfs/dbraw/zinc/50/33/01/1201503301.db2.gz MFAYPAMZWXWUTE-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130132717 1201512872 /nfs/dbraw/zinc/51/28/72/1201512872.db2.gz MAWKPEHYOXLTGG-ZACQAIPSSA-N 2 0 364.494 0.267 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919935 1224681780 /nfs/dbraw/zinc/68/17/80/1224681780.db2.gz ULRKJKQQADJFKG-MSOLQXFVSA-N 2 0 364.490 0.884 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)C1CCC1 ZINC001130292761 1201578870 /nfs/dbraw/zinc/57/88/70/1201578870.db2.gz AEEYNZFLZYGYNU-APWZRJJASA-N 2 0 368.497 0.916 20 0 FCADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219929987 1224686911 /nfs/dbraw/zinc/68/69/11/1224686911.db2.gz WPAHNQOJANIFTE-INIZCTEOSA-N 2 0 371.485 0.281 20 0 FCADRP COC(=O)C1(NC(=O)[C@H](NCc2ccccc2)C(C)(C)[NH3+])CC[NH2+]CC1 ZINC001219999115 1224722548 /nfs/dbraw/zinc/72/25/48/1224722548.db2.gz KPZNDTORZQJLOO-HNNXBMFYSA-N 2 0 362.474 0.294 20 0 FCADRP CCOC(=O)Cc1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220011094 1224726296 /nfs/dbraw/zinc/72/62/96/1224726296.db2.gz QTPJWXZWCAUXNZ-QGZVFWFLSA-N 2 0 362.474 0.159 20 0 FCADRP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC[NH2+]CC1 ZINC001220001317 1224723307 /nfs/dbraw/zinc/72/33/07/1224723307.db2.gz PDMMEEHRECXOJJ-KXBFYZLASA-N 2 0 372.469 0.124 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CCC([NH3+])CC1 ZINC001220039590 1224735137 /nfs/dbraw/zinc/73/51/37/1224735137.db2.gz KXINBBRTEOGEJH-XYEKJYRLSA-N 2 0 368.478 0.034 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531848 1202710111 /nfs/dbraw/zinc/71/01/11/1202710111.db2.gz ISOAFISEGXDBTL-JQHSSLGASA-N 2 0 363.506 0.825 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOC)C2)CC[N@@H+]1C ZINC001130596866 1202728244 /nfs/dbraw/zinc/72/82/44/1202728244.db2.gz UDJGRJLPOGUFKY-CWLKWCNXSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2[NH2+]CCCO)c1 ZINC001130621778 1202738316 /nfs/dbraw/zinc/73/83/16/1202738316.db2.gz DKWCVKRLRVGOOB-DOTOQJQBSA-N 2 0 361.490 0.315 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130678356 1202750606 /nfs/dbraw/zinc/75/06/06/1202750606.db2.gz WRHGCWAZPTXDLD-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2[NH2+]CCCO)c1 ZINC001130687679 1202754269 /nfs/dbraw/zinc/75/42/69/1202754269.db2.gz LGXHQPYKOXUOEM-FUHWJXTLSA-N 2 0 363.506 0.418 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000806814087 1202777479 /nfs/dbraw/zinc/77/74/79/1202777479.db2.gz IZRUFWJFJTWSPF-KRWDZBQOSA-N 2 0 368.522 0.728 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](F)C[NH+](CC)CC)n2)O1 ZINC001130785263 1202788819 /nfs/dbraw/zinc/78/88/19/1202788819.db2.gz IKEGHKXOFPEMPI-BFHYXJOUSA-N 2 0 370.473 0.930 20 0 FCADRP CC(C)[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)[NH+](C)C ZINC001130787436 1202797174 /nfs/dbraw/zinc/79/71/74/1202797174.db2.gz QMUDIUXYQNWEMH-GUTXKFCHSA-N 2 0 370.473 0.786 20 0 FCADRP COCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC[NH+](C)C)n2)O1 ZINC001130804492 1202800528 /nfs/dbraw/zinc/80/05/28/1202800528.db2.gz GYBWDLBVLGSNOQ-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130817789 1202808631 /nfs/dbraw/zinc/80/86/31/1202808631.db2.gz ZWPIHENUKFHSFH-UONOGXRCSA-N 2 0 370.473 0.932 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807683922 1202846839 /nfs/dbraw/zinc/84/68/39/1202846839.db2.gz KCWYGSSZWVSWPG-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131060008 1202853816 /nfs/dbraw/zinc/85/38/16/1202853816.db2.gz UQKQBWROPKHUCE-DJIMGWMZSA-N 2 0 363.506 0.681 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131061989 1202854322 /nfs/dbraw/zinc/85/43/22/1202854322.db2.gz QHGOYAANPLEJGW-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072082 1202856719 /nfs/dbraw/zinc/85/67/19/1202856719.db2.gz IRHVKSCCCOFMLN-ARFHVFGLSA-N 2 0 365.522 0.663 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001131555798 1202913731 /nfs/dbraw/zinc/91/37/31/1202913731.db2.gz XNGIXNMTUVWXQH-AEFFLSMTSA-N 2 0 366.506 0.060 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001131592883 1202917323 /nfs/dbraw/zinc/91/73/23/1202917323.db2.gz AILAEKOTOOASPE-OGWOLHLISA-N 2 0 366.506 0.060 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131582801 1202917556 /nfs/dbraw/zinc/91/75/56/1202917556.db2.gz ADZPXMULZCACHK-APWZRJJASA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813322733 1202992618 /nfs/dbraw/zinc/99/26/18/1202992618.db2.gz HADNGJIORKBSEG-ZDUSSCGKSA-N 2 0 359.474 0.893 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086716637 1203011611 /nfs/dbraw/zinc/01/16/11/1203011611.db2.gz KFDPTHUTYLHZFY-HRCADAONSA-N 2 0 363.510 0.563 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001086722604 1203023265 /nfs/dbraw/zinc/02/32/65/1203023265.db2.gz NBQGOZPCEQSDJA-GBJTYRQASA-N 2 0 360.462 0.413 20 0 FCADRP Cc1nc2c([nH]1)C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001086737395 1203063164 /nfs/dbraw/zinc/06/31/64/1203063164.db2.gz IBBKKPVUBPHXMO-HRCADAONSA-N 2 0 371.489 0.989 20 0 FCADRP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001086737410 1203063269 /nfs/dbraw/zinc/06/32/69/1203063269.db2.gz ISERAOKUFIHENF-SOUVJXGZSA-N 2 0 357.462 0.649 20 0 FCADRP CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000816522434 1203072109 /nfs/dbraw/zinc/07/21/09/1203072109.db2.gz ZBCMIQANJHJUJK-BZUAXINKSA-N 2 0 366.506 0.901 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086761561 1203083476 /nfs/dbraw/zinc/08/34/76/1203083476.db2.gz LIQLJTRWEFZJOS-GIUFDNAASA-N 2 0 361.446 0.307 20 0 FCADRP C[C@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861637 1203100470 /nfs/dbraw/zinc/10/04/70/1203100470.db2.gz FLDSIDWIPRHZLQ-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817971325 1203129536 /nfs/dbraw/zinc/12/95/36/1203129536.db2.gz CITROGKJHBIACP-DNVCBOLYSA-N 2 0 364.490 0.053 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001220120964 1224777253 /nfs/dbraw/zinc/77/72/53/1224777253.db2.gz WNNXAFWWBMTSON-AUUYWEPGSA-N 3 0 373.457 0.597 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001220120749 1224777342 /nfs/dbraw/zinc/77/73/42/1224777342.db2.gz OOFGGUMXXHDXFE-OAHLLOKOSA-N 3 0 361.446 0.725 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090884269 1203330882 /nfs/dbraw/zinc/33/08/82/1203330882.db2.gz HNDTWEPOARILCW-ZYSHUDEJSA-N 2 0 361.486 0.913 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228071 1224809648 /nfs/dbraw/zinc/80/96/48/1224809648.db2.gz ABFJVPVFGPVYDJ-MOPGFXCFSA-N 2 0 360.458 0.001 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)CC1 ZINC001220269403 1224817190 /nfs/dbraw/zinc/81/71/90/1224817190.db2.gz XXVFQTLXYKASGJ-MOPGFXCFSA-N 2 0 361.486 0.959 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220311317 1224825251 /nfs/dbraw/zinc/82/52/51/1224825251.db2.gz MDMQGWYQNXYWQT-GOSISDBHSA-N 2 0 372.473 0.622 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311565 1224826126 /nfs/dbraw/zinc/82/61/26/1224826126.db2.gz ORVZTDIVVAGPMD-GOSISDBHSA-N 2 0 355.442 0.888 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315375 1224826957 /nfs/dbraw/zinc/82/69/57/1224826957.db2.gz BYYPEPMQIVXQDR-TXPKVOOTSA-N 2 0 361.442 0.475 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccco2)CC1 ZINC001220316640 1224827246 /nfs/dbraw/zinc/82/72/46/1224827246.db2.gz RYWLDMVURDWQQU-HHXXYDBFSA-N 2 0 362.474 0.771 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220315581 1224827263 /nfs/dbraw/zinc/82/72/63/1224827263.db2.gz FRISLDVTLPLKQP-RLFYNMQTSA-N 2 0 359.474 0.161 20 0 FCADRP CCC(=O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143972252 1204409020 /nfs/dbraw/zinc/40/90/20/1204409020.db2.gz YEHQDXLMKLQAPK-WVXQGFRLSA-N 2 0 373.494 0.261 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000846246982 1204610018 /nfs/dbraw/zinc/61/00/18/1204610018.db2.gz NHBWMPLUQIIVMF-HNNXBMFYSA-N 2 0 372.510 0.404 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220356471 1224840966 /nfs/dbraw/zinc/84/09/66/1224840966.db2.gz AGRCXIVMUUPHPG-QBPKDAKJSA-N 2 0 361.442 0.142 20 0 FCADRP N[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC[NH2+]C1 ZINC001220356705 1224840979 /nfs/dbraw/zinc/84/09/79/1224840979.db2.gz CXJZLPXAFHTGTB-TXPKVOOTSA-N 2 0 360.458 0.253 20 0 FCADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220356936 1224841096 /nfs/dbraw/zinc/84/10/96/1224841096.db2.gz GLBICNKLGUHPJM-TWMKSMIVSA-N 2 0 361.442 0.536 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCC1=O ZINC001220358181 1224842336 /nfs/dbraw/zinc/84/23/36/1224842336.db2.gz PMLVHJNQZJFJQV-RYRKJORJSA-N 2 0 373.453 0.740 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544238 1204707534 /nfs/dbraw/zinc/70/75/34/1204707534.db2.gz XEHAJBMGDCOLOJ-VCBZYWHSSA-N 2 0 362.474 0.010 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387685 1224854143 /nfs/dbraw/zinc/85/41/43/1224854143.db2.gz NWXLNMNXAQJOHE-KSZLIROESA-N 2 0 371.522 0.464 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001091738295 1204837942 /nfs/dbraw/zinc/83/79/42/1204837942.db2.gz TZJTYLCVSPYTOW-BPAFIMBUSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741098 1204838376 /nfs/dbraw/zinc/83/83/76/1204838376.db2.gz ZXJKFKUILDLSNE-MDOVXXIYSA-N 2 0 362.518 0.918 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001086875600 1204858948 /nfs/dbraw/zinc/85/89/48/1204858948.db2.gz YLOHIQMKVKUNLT-RRFJBIMHSA-N 2 0 363.458 0.975 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2[NH2+]CCO)cn1 ZINC001086988008 1204881939 /nfs/dbraw/zinc/88/19/39/1204881939.db2.gz ZFQDRAFLFFXUIZ-DLBZAZTESA-N 2 0 354.414 0.258 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087000094 1204889217 /nfs/dbraw/zinc/88/92/17/1204889217.db2.gz GGDOKHBRFWYTLM-JCGIZDLHSA-N 2 0 363.506 0.417 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087010476 1204897759 /nfs/dbraw/zinc/89/77/59/1204897759.db2.gz CHMKTPFFNRALHB-RYQLBKOJSA-N 2 0 363.506 0.561 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087035062 1204911206 /nfs/dbraw/zinc/91/12/06/1204911206.db2.gz JXSXAZOASYQCNS-VNQPRFMTSA-N 2 0 366.462 0.731 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087059352 1204943351 /nfs/dbraw/zinc/94/33/51/1204943351.db2.gz AMESDAXVVNGQNW-KBAYOESNSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059693 1204944040 /nfs/dbraw/zinc/94/40/40/1204944040.db2.gz QLYXERHISKICJN-CRAIPNDOSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087063222 1204950346 /nfs/dbraw/zinc/95/03/46/1204950346.db2.gz OAKPFELPUPNCSV-FGTMMUONSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083349 1204971549 /nfs/dbraw/zinc/97/15/49/1204971549.db2.gz AMTPJLGRHGILOH-ZMSDIMECSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087081154 1204993574 /nfs/dbraw/zinc/99/35/74/1204993574.db2.gz XQCANAMQCYMLNB-DJIMGWMZSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087100943 1204998547 /nfs/dbraw/zinc/99/85/47/1204998547.db2.gz MCPCUEJOCYPBEJ-JFIYKMOQSA-N 2 0 363.506 0.808 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087096772 1205004568 /nfs/dbraw/zinc/00/45/68/1205004568.db2.gz CTIVGOYLUZYBAP-NVXWUHKLSA-N 2 0 361.490 0.469 20 0 FCADRP Cc1c(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807474 1205020640 /nfs/dbraw/zinc/02/06/40/1205020640.db2.gz FWZLYJOBFPHLAR-LPMFXHHGSA-N 2 0 355.442 0.910 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091818420 1205041281 /nfs/dbraw/zinc/04/12/81/1205041281.db2.gz GFHYUMZEXHLGLW-AEFFLSMTSA-N 2 0 358.490 0.687 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC1 ZINC001091974338 1205105496 /nfs/dbraw/zinc/10/54/96/1205105496.db2.gz ASQFCWOWIWDYDM-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011223 1205112455 /nfs/dbraw/zinc/11/24/55/1205112455.db2.gz UHKWUKFJVXEYNU-FCEWJHQRSA-N 2 0 363.506 0.276 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431612 1224870211 /nfs/dbraw/zinc/87/02/11/1224870211.db2.gz KWGMCNRRGCFEFM-SVFBPWRDSA-N 3 0 372.513 0.593 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071566 1205135114 /nfs/dbraw/zinc/13/51/14/1205135114.db2.gz BBKTXZDYSWAVKQ-MDYRTPRTSA-N 2 0 364.534 0.975 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092130949 1205169317 /nfs/dbraw/zinc/16/93/17/1205169317.db2.gz JVYOXNLWMWBYAA-HLIPFELVSA-N 2 0 362.518 0.777 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092205604 1205197604 /nfs/dbraw/zinc/19/76/04/1205197604.db2.gz AILUKKQOMBTTDT-ZTQAJYAQSA-N 2 0 371.485 0.772 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)C1=O ZINC001092301476 1205234555 /nfs/dbraw/zinc/23/45/55/1205234555.db2.gz JZGSMJBCNYLJQI-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3C[NH2+]CCN3)nc3ccc(C)cc3n12 ZINC001220458451 1224879244 /nfs/dbraw/zinc/87/92/44/1224879244.db2.gz RMOLLFXLQKOWCH-HNNXBMFYSA-N 2 0 367.457 0.352 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502048 1224894607 /nfs/dbraw/zinc/89/46/07/1224894607.db2.gz XYABOMJDRDROEL-BBWFWOEESA-N 3 0 361.490 0.250 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@]3(N)CC[NH2+]C3)cc2)CC1 ZINC001220516201 1224900123 /nfs/dbraw/zinc/90/01/23/1224900123.db2.gz RUGYMWGCLXZHCU-BEFRKJEDSA-N 2 0 359.474 0.400 20 0 FCADRP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517154 1224900126 /nfs/dbraw/zinc/90/01/26/1224900126.db2.gz YTDCXQAHPHIHPP-DFOOCIKTSA-N 2 0 363.506 0.966 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[NH2+]C[C@@H]3N)cc2)CC1 ZINC001220515932 1224900646 /nfs/dbraw/zinc/90/06/46/1224900646.db2.gz MBECQFARFKKXDZ-XZJFIMKMSA-N 2 0 359.474 0.256 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)C1 ZINC001220527426 1224907552 /nfs/dbraw/zinc/90/75/52/1224907552.db2.gz JBEJNTGZVVKUIE-KXBFYZLASA-N 2 0 355.486 0.980 20 0 FCADRP O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001220527088 1224907800 /nfs/dbraw/zinc/90/78/00/1224907800.db2.gz DQLQKBGWMQTIRP-PKOBYXMFSA-N 2 0 356.470 0.871 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533902 1224910469 /nfs/dbraw/zinc/91/04/69/1224910469.db2.gz TTWRSNQWVHWIOH-UXHICEINSA-N 2 0 370.497 0.842 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854307 1205936080 /nfs/dbraw/zinc/93/60/80/1205936080.db2.gz FCWYZINHQSLTSB-HLLBOEOZSA-N 2 0 360.502 0.962 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093223440 1206062603 /nfs/dbraw/zinc/06/26/03/1206062603.db2.gz ZDJLWHQUDHBZQF-OLMNPRSZSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093277026 1206069739 /nfs/dbraw/zinc/06/97/39/1206069739.db2.gz ANDVHEWRMGCKCY-RBSFLKMASA-N 2 0 364.490 0.350 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O ZINC001093287696 1206072977 /nfs/dbraw/zinc/07/29/77/1206072977.db2.gz GLAPWPZSFVYZPB-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093469247 1206085388 /nfs/dbraw/zinc/08/53/88/1206085388.db2.gz FLDRRKWYXXAZIC-JYBIWHBTSA-N 2 0 367.534 0.677 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1=O ZINC001093674215 1206099690 /nfs/dbraw/zinc/09/96/90/1206099690.db2.gz CEFZNKOQLBHVNB-FMKPAKJESA-N 2 0 363.458 0.927 20 0 FCADRP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001093774789 1206114002 /nfs/dbraw/zinc/11/40/02/1206114002.db2.gz VTJWRLMYVOORPG-QGPMSJSTSA-N 2 0 360.506 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)CC[N@@H+]1C ZINC001093779401 1206122430 /nfs/dbraw/zinc/12/24/30/1206122430.db2.gz GAXWWXRYOUFRDH-JOCBIADPSA-N 2 0 360.502 0.910 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001093821875 1206123874 /nfs/dbraw/zinc/12/38/74/1206123874.db2.gz HODXKBXBLUEQKC-UNEWFSDZSA-N 2 0 363.510 0.778 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCNC3=O)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001093879318 1206141274 /nfs/dbraw/zinc/14/12/74/1206141274.db2.gz UOHTZAIRIBOJAS-SUYBPPKGSA-N 2 0 355.442 0.829 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C[NH2+][C@H]3CCNC3=O)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001093879317 1206141795 /nfs/dbraw/zinc/14/17/95/1206141795.db2.gz UOHTZAIRIBOJAS-MRRJBJDNSA-N 2 0 355.442 0.829 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093894363 1206151754 /nfs/dbraw/zinc/15/17/54/1206151754.db2.gz IDGOHFBEHGOXEG-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093930101 1206151795 /nfs/dbraw/zinc/15/17/95/1206151795.db2.gz HEUKADKBPSUVGM-NQAWJTCLSA-N 2 0 360.458 0.722 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093931335 1206152098 /nfs/dbraw/zinc/15/20/98/1206152098.db2.gz PALRFHMQDVKIDR-OHDZGACESA-N 2 0 371.485 0.524 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093987704 1206164759 /nfs/dbraw/zinc/16/47/59/1206164759.db2.gz VAMYFEKJFFNKNH-BZUAXINKSA-N 2 0 363.510 0.516 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001094041921 1206173889 /nfs/dbraw/zinc/17/38/89/1206173889.db2.gz INOSNRFAKNFGHI-ARFHVFGLSA-N 2 0 363.510 0.780 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094041201 1206174292 /nfs/dbraw/zinc/17/42/92/1206174292.db2.gz ZWMDTZHPWQUFHM-QLFBSQMISA-N 2 0 361.494 0.676 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088286 1206181966 /nfs/dbraw/zinc/18/19/66/1206181966.db2.gz MJIJCUUPTLGOLM-BZUAXINKSA-N 2 0 363.510 0.659 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094091361 1206182523 /nfs/dbraw/zinc/18/25/23/1206182523.db2.gz ZDNWGBVPHCNZSD-UKRRQHHQSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094130991 1206189818 /nfs/dbraw/zinc/18/98/18/1206189818.db2.gz HWPLOXLNTJOIHE-BZUAXINKSA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001094169811 1206198361 /nfs/dbraw/zinc/19/83/61/1206198361.db2.gz WOKQTRAABYIFDJ-IXDOHACOSA-N 2 0 362.518 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001094169955 1206198499 /nfs/dbraw/zinc/19/84/99/1206198499.db2.gz FXRZTXGZCDUZNO-OAGGEKHMSA-N 2 0 358.490 0.545 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)CC1 ZINC001094503265 1206234466 /nfs/dbraw/zinc/23/44/66/1206234466.db2.gz DZHVOZUWXWLFFB-IEBWSBKVSA-N 2 0 360.506 0.981 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561774 1206238048 /nfs/dbraw/zinc/23/80/48/1206238048.db2.gz FLBPUGRFBNGYLR-VQIMIIECSA-N 2 0 359.474 0.868 20 0 FCADRP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC001094557449 1206241231 /nfs/dbraw/zinc/24/12/31/1206241231.db2.gz ZDMKJMCYXBUFMP-YLJYHZDGSA-N 2 0 362.518 0.955 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173497060 1206275495 /nfs/dbraw/zinc/27/54/95/1206275495.db2.gz QYYBLPAZGUUAOX-SJORKVTESA-N 2 0 362.474 0.313 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749462 1206287232 /nfs/dbraw/zinc/28/72/32/1206287232.db2.gz CQERKFQXAKDMJE-XMTFNYHQSA-N 2 0 364.494 0.826 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749458 1206287405 /nfs/dbraw/zinc/28/74/05/1206287405.db2.gz CQERKFQXAKDMJE-VSZNYVQBSA-N 2 0 364.494 0.826 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CCC2 ZINC001173763329 1206288491 /nfs/dbraw/zinc/28/84/91/1206288491.db2.gz QQDCZHXMIXONDO-JKSUJKDBSA-N 2 0 372.477 0.681 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220573345 1224941248 /nfs/dbraw/zinc/94/12/48/1224941248.db2.gz VCIZYOKNJZQYBU-FGTMMUONSA-N 2 0 365.522 0.490 20 0 FCADRP CN1CCN(c2ncc(NC(=O)c3cc4n(n3)CCCN(C)C4)cn2)CC1 ZINC001175036209 1206298853 /nfs/dbraw/zinc/29/88/53/1206298853.db2.gz QLMKSSZQJXBDLX-UHFFFAOYSA-N 2 0 370.461 0.513 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]C[C@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001178523446 1206358944 /nfs/dbraw/zinc/35/89/44/1206358944.db2.gz ZMTRACGNWZNJRI-FGTMMUONSA-N 2 0 365.522 0.850 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001178527043 1206359067 /nfs/dbraw/zinc/35/90/67/1206359067.db2.gz IIEDEHSXJUAABM-HRCADAONSA-N 2 0 366.506 0.788 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001178997860 1206369977 /nfs/dbraw/zinc/36/99/77/1206369977.db2.gz UUCMDCPMEIYJHA-KRWDZBQOSA-N 2 0 361.490 0.951 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)CC1 ZINC001180348998 1206393099 /nfs/dbraw/zinc/39/30/99/1206393099.db2.gz ARZMRENRXZXJGX-UHFFFAOYSA-N 2 0 360.502 0.769 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001180387421 1206394173 /nfs/dbraw/zinc/39/41/73/1206394173.db2.gz HKYGBRGYCWCEMK-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001182011922 1206419634 /nfs/dbraw/zinc/41/96/34/1206419634.db2.gz GUMOHYDZKJCGSB-OAHLLOKOSA-N 2 0 355.446 0.597 20 0 FCADRP CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182215942 1206424663 /nfs/dbraw/zinc/42/46/63/1206424663.db2.gz KCSLHSFSZDAPKC-LBPRGKRZSA-N 2 0 371.482 0.862 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182660627 1206441968 /nfs/dbraw/zinc/44/19/68/1206441968.db2.gz CUIFGEAZWPKOQP-NUJGCVRESA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001182692271 1206442327 /nfs/dbraw/zinc/44/23/27/1206442327.db2.gz GIZLLQZEQNVKKH-IXDOHACOSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)NC1(C[NH3+])COC1 ZINC001184445613 1206470225 /nfs/dbraw/zinc/47/02/25/1206470225.db2.gz VPYDDXDFYPNVLV-CYBMUJFWSA-N 2 0 370.494 0.550 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001185783795 1206485398 /nfs/dbraw/zinc/48/53/98/1206485398.db2.gz HLWUOJCXOZOCSN-QRVBRYPASA-N 2 0 370.497 0.801 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512800 1206490445 /nfs/dbraw/zinc/49/04/45/1206490445.db2.gz YDYRISAMLIHXAR-SJORKVTESA-N 2 0 360.502 0.483 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001220642939 1224981722 /nfs/dbraw/zinc/98/17/22/1224981722.db2.gz OCOBISNMOICMBF-MSOLQXFVSA-N 2 0 369.506 0.075 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220651266 1224990839 /nfs/dbraw/zinc/99/08/39/1224990839.db2.gz IJEPYFJHXZGDRZ-OALUTQOASA-N 2 0 371.529 0.786 20 0 FCADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651282 1224990869 /nfs/dbraw/zinc/99/08/69/1224990869.db2.gz IUMRTRLTGHESKC-GOSISDBHSA-N 2 0 354.454 0.988 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001187971314 1207404528 /nfs/dbraw/zinc/40/45/28/1207404528.db2.gz HWEGMVWLNPHIEQ-WNRNVDISSA-N 2 0 362.518 0.776 20 0 FCADRP Cc1ccncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001188233670 1207437646 /nfs/dbraw/zinc/43/76/46/1207437646.db2.gz RKGSRXGHEXKHRI-UHFFFAOYSA-N 2 0 373.501 0.700 20 0 FCADRP C[NH+](C)C[C@H]1COCCN1C(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC001188347321 1207446442 /nfs/dbraw/zinc/44/64/42/1207446442.db2.gz GFUXOLXVTJVDCW-SFHVURJKSA-N 2 0 360.502 0.837 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405644 1207454691 /nfs/dbraw/zinc/45/46/91/1207454691.db2.gz LQDXASNWVTZCSF-CGTJXYLNSA-N 2 0 371.485 0.719 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)[C@@H]2C1 ZINC001188932560 1207488859 /nfs/dbraw/zinc/48/88/59/1207488859.db2.gz ZRPKOOMMVXCWPB-GVDBMIGSSA-N 2 0 366.506 0.107 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001188978755 1207496922 /nfs/dbraw/zinc/49/69/22/1207496922.db2.gz FDXVRWAPZYKEOV-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189127327 1207509657 /nfs/dbraw/zinc/50/96/57/1207509657.db2.gz UKWNTENGGLAKGV-FCEWJHQRSA-N 2 0 371.497 0.741 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801343 1207610067 /nfs/dbraw/zinc/61/00/67/1207610067.db2.gz DESWDKONCLUTJP-OKZBNKHCSA-N 2 0 363.502 0.811 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189913667 1207620148 /nfs/dbraw/zinc/62/01/48/1207620148.db2.gz UUTXXHBHBICCAB-RCCFBDPRSA-N 2 0 371.522 0.275 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317203 1207674560 /nfs/dbraw/zinc/67/45/60/1207674560.db2.gz FIJFGBSFPOCHES-IPMKNSEASA-N 2 0 361.486 0.902 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C(=O)n3cc(C[NH3+])cnc3=N)cc2)CC1 ZINC001190865703 1207733135 /nfs/dbraw/zinc/73/31/35/1207733135.db2.gz HYZCDXDALGTOIC-UHFFFAOYSA-N 2 0 354.458 0.647 20 0 FCADRP CCc1ccc([C@H](O)C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)cc1 ZINC001220688813 1225016209 /nfs/dbraw/zinc/01/62/09/1225016209.db2.gz QQIPNNACHKXFNI-QRVBRYPASA-N 2 0 363.502 0.786 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690149 1225018356 /nfs/dbraw/zinc/01/83/56/1225018356.db2.gz RXBJRDIENJLNCT-QFBILLFUSA-N 2 0 358.486 0.868 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737640 1207886455 /nfs/dbraw/zinc/88/64/55/1207886455.db2.gz DHTRCHQAFBZGTQ-FGTMMUONSA-N 2 0 369.506 0.218 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791727 1207889558 /nfs/dbraw/zinc/88/95/58/1207889558.db2.gz PQINDGYUNDIZOQ-QRVBRYPASA-N 2 0 361.486 0.705 20 0 FCADRP CC[N@H+](C)CC(=O)N1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001273665655 1207893325 /nfs/dbraw/zinc/89/33/25/1207893325.db2.gz ARHSTUKVLISHDO-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)NCCN3CCC[N@H+](C)CC3)c2)CC1 ZINC001193951444 1207900320 /nfs/dbraw/zinc/90/03/20/1207900320.db2.gz IWPSIEKOAJOOFP-UHFFFAOYSA-N 2 0 360.506 0.201 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N(CC(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001194095704 1207917812 /nfs/dbraw/zinc/91/78/12/1207917812.db2.gz MJMGEPCJYZQCBP-BRWVUGGUSA-N 2 0 370.538 0.381 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102326 1207919123 /nfs/dbraw/zinc/91/91/23/1207919123.db2.gz IAAAASUZIQSWDX-IAGOWNOFSA-N 2 0 371.522 0.323 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001194102746 1207919555 /nfs/dbraw/zinc/91/95/55/1207919555.db2.gz OXQYMGVBWLSROD-IAGOWNOFSA-N 2 0 367.534 0.942 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1C[NH3+] ZINC001220714163 1225030567 /nfs/dbraw/zinc/03/05/67/1225030567.db2.gz AGTGPZUQUZTCKQ-INIZCTEOSA-N 2 0 366.425 0.646 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001220716430 1225032761 /nfs/dbraw/zinc/03/27/61/1225032761.db2.gz HOIZYTKZORJWLV-FJIDUMEYSA-N 2 0 358.486 0.804 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194605190 1207965048 /nfs/dbraw/zinc/96/50/48/1207965048.db2.gz ZHLOWWBDIQAOKQ-IAGOWNOFSA-N 2 0 359.430 0.469 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220727543 1225037795 /nfs/dbraw/zinc/03/77/95/1225037795.db2.gz IWDVRCFRSCLGPF-BQFCYCMXSA-N 2 0 356.470 0.997 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001195660898 1208033879 /nfs/dbraw/zinc/03/38/79/1208033879.db2.gz BDSRYOPJRSCSNJ-KZNAEPCWSA-N 2 0 361.486 0.093 20 0 FCADRP CCCN(CCC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195850092 1208041457 /nfs/dbraw/zinc/04/14/57/1208041457.db2.gz FPTUEVGNVPMQCH-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP CCCN(CCC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195972654 1208048570 /nfs/dbraw/zinc/04/85/70/1208048570.db2.gz IISRDEFMUMIIPS-JFIYKMOQSA-N 2 0 370.538 0.383 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(CC)C2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196129866 1208056875 /nfs/dbraw/zinc/05/68/75/1208056875.db2.gz JMHMXIACKIUADK-IXDOHACOSA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@H]1O)[NH+](CC)CC ZINC001196122868 1208059286 /nfs/dbraw/zinc/05/92/86/1208059286.db2.gz HYSXRAKMLGWFEF-OWCLPIDISA-N 2 0 367.494 0.592 20 0 FCADRP Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306769 1208071198 /nfs/dbraw/zinc/07/11/98/1208071198.db2.gz IXLVPFJROMWANL-KBRIMQKVSA-N 2 0 366.462 0.145 20 0 FCADRP COC(=O)[C@@H](NC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1)[C@@H](C)O ZINC001198031620 1208215435 /nfs/dbraw/zinc/21/54/35/1208215435.db2.gz XIRVTBXWMFPYII-PBHICJAKSA-N 2 0 365.474 0.722 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198901373 1208299274 /nfs/dbraw/zinc/29/92/74/1208299274.db2.gz VNNAJHJQXYQYAS-UHFFFAOYSA-N 2 0 364.450 0.272 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057517 1208314379 /nfs/dbraw/zinc/31/43/79/1208314379.db2.gz LQENEDSLWBKIGF-KZNAEPCWSA-N 2 0 371.522 0.057 20 0 FCADRP COCCOc1cnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC001199125788 1208319952 /nfs/dbraw/zinc/31/99/52/1208319952.db2.gz DNBNDROWJIWTFT-UHFFFAOYSA-N 2 0 367.494 0.847 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273834289 1208409437 /nfs/dbraw/zinc/40/94/37/1208409437.db2.gz CMYWYXXZDOVPCX-IAGOWNOFSA-N 2 0 360.502 0.483 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1)C1CC1 ZINC001220772064 1225064745 /nfs/dbraw/zinc/06/47/45/1225064745.db2.gz JRQUJNLPDGQIHP-NJAFHUGGSA-N 2 0 362.474 0.738 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201230014 1208449108 /nfs/dbraw/zinc/44/91/08/1208449108.db2.gz LQULYNCIOOMANG-BFYDXBDKSA-N 2 0 368.522 0.447 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([NH2+]CCCN3CCCC3=O)CC2)O1 ZINC001201230270 1208449248 /nfs/dbraw/zinc/44/92/48/1208449248.db2.gz MYCHLDAEBGAAAX-NVXWUHKLSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201230015 1208449375 /nfs/dbraw/zinc/44/93/75/1208449375.db2.gz LQULYNCIOOMANG-HLLBOEOZSA-N 2 0 368.522 0.447 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)cc1 ZINC001220789124 1225073944 /nfs/dbraw/zinc/07/39/44/1225073944.db2.gz JPHGZHPPVFZDKN-BZSNNMDCSA-N 2 0 367.453 0.517 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001489201312 1208662527 /nfs/dbraw/zinc/66/25/27/1208662527.db2.gz RIUYSEXGGHSXFK-SQNIBIBYSA-N 2 0 364.534 0.975 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H](c2ccco2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220827456 1225092936 /nfs/dbraw/zinc/09/29/36/1225092936.db2.gz NSOIAHAWARWURG-MRXNPFEDSA-N 2 0 362.430 0.153 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[NH2+]C1 ZINC001220830483 1225093545 /nfs/dbraw/zinc/09/35/45/1225093545.db2.gz YHAKMWNCBJPVDB-VLIAUNLRSA-N 2 0 370.453 0.249 20 0 FCADRP COC(=O)[C@H](CNC(=O)C[NH2+]CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840319 1225101512 /nfs/dbraw/zinc/10/15/12/1225101512.db2.gz LSWVVHJFTXOETJ-OAHLLOKOSA-N 2 0 362.430 0.488 20 0 FCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000850835982 1209491634 /nfs/dbraw/zinc/49/16/34/1209491634.db2.gz FZZQQELKKLICJE-KRWDZBQOSA-N 2 0 373.501 0.881 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926560 1225144469 /nfs/dbraw/zinc/14/44/69/1225144469.db2.gz RINQJJWINAMQJU-LJQANCHMSA-N 3 0 374.533 0.160 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853340515 1209589918 /nfs/dbraw/zinc/58/99/18/1209589918.db2.gz ADTASKMGXXJHLX-LJQANCHMSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CCC1 ZINC001110664933 1209592102 /nfs/dbraw/zinc/59/21/02/1209592102.db2.gz FMHJZFJUKRGJRI-FPCVCCKLSA-N 2 0 358.490 0.971 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001110673547 1209608047 /nfs/dbraw/zinc/60/80/47/1209608047.db2.gz FVMDQRXKSCAXDE-VQHPVUNQSA-N 2 0 358.490 0.971 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746739 1209792096 /nfs/dbraw/zinc/79/20/96/1209792096.db2.gz BXCWYULNJBLUQI-XDNAFOTISA-N 2 0 362.474 0.637 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)ccc2c[nH+]cn21 ZINC001110748421 1209793495 /nfs/dbraw/zinc/79/34/95/1209793495.db2.gz CEJUQXZTKVVJHQ-OLMNPRSZSA-N 2 0 358.442 0.987 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861539856 1209870197 /nfs/dbraw/zinc/87/01/97/1209870197.db2.gz QIKPSERVTIPADG-HNNXBMFYSA-N 2 0 361.490 0.568 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000861729848 1209877915 /nfs/dbraw/zinc/87/79/15/1209877915.db2.gz CLKDGKYKHYBTSF-ZBFHGGJFSA-N 2 0 362.474 0.754 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)CC1 ZINC001221006391 1225183004 /nfs/dbraw/zinc/18/30/04/1225183004.db2.gz FQSJGJWYLFLTJT-BJLQDIEVSA-N 2 0 372.513 0.834 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000868310145 1210051672 /nfs/dbraw/zinc/05/16/72/1210051672.db2.gz QQYWJEXKDSYMDA-UHFFFAOYSA-N 2 0 373.501 0.631 20 0 FCADRP C[NH+]1CC[C@]2(CCN(C(=O)C(F)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000868535292 1210068631 /nfs/dbraw/zinc/06/86/31/1210068631.db2.gz RBQSOUMWCVCEJF-OALUTQOASA-N 2 0 366.481 0.433 20 0 FCADRP O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221030652 1225193008 /nfs/dbraw/zinc/19/30/08/1225193008.db2.gz HHBYPCTVTZRSDT-IRXDYDNUSA-N 2 0 362.449 0.313 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030198 1225193171 /nfs/dbraw/zinc/19/31/71/1225193171.db2.gz BJVWIJPZRVQXCU-JKSUJKDBSA-N 2 0 365.453 0.758 20 0 FCADRP O=CN1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000875183549 1210348357 /nfs/dbraw/zinc/34/83/57/1210348357.db2.gz GCFUXOLGNVAKBO-UHFFFAOYSA-N 2 0 374.489 0.467 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068219 1225207720 /nfs/dbraw/zinc/20/77/20/1225207720.db2.gz TUNHSBNFGHQZQG-QBBQCFRVSA-N 2 0 371.522 0.745 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696410 1210495503 /nfs/dbraw/zinc/49/55/03/1210495503.db2.gz PGQZTFDVLXBULT-YSHGAJCASA-N 2 0 361.486 0.298 20 0 FCADRP CC(CC[NH+]1CCC(CO)(CO)CC1)CC[NH+]1CCC(CO)(CO)CC1 ZINC000879971093 1210506732 /nfs/dbraw/zinc/50/67/32/1210506732.db2.gz LQAPXPQWMFPYSH-UHFFFAOYSA-N 2 0 372.550 0.536 20 0 FCADRP O=C(C[NH+]1CC[C@@H](CF)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880292767 1210525508 /nfs/dbraw/zinc/52/55/08/1210525508.db2.gz VKLXNZNORZJIIO-IYBDPMFKSA-N 2 0 372.460 0.240 20 0 FCADRP CC(=O)N1C[C@@H]2C[NH+]([C@H](C)CC[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311333 1210528692 /nfs/dbraw/zinc/52/86/92/1210528692.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 2 0 362.518 0.585 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(CC[NH3+])nn3)cc2)CC1 ZINC000881389791 1210586918 /nfs/dbraw/zinc/58/69/18/1210586918.db2.gz FKQFECXQSCGNCH-UHFFFAOYSA-N 2 0 357.462 0.560 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001221112348 1225227480 /nfs/dbraw/zinc/22/74/80/1225227480.db2.gz RBGWFHFLHPATGY-OAHLLOKOSA-N 2 0 354.458 0.435 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883604932 1210673660 /nfs/dbraw/zinc/67/36/60/1210673660.db2.gz HPQBAYKKIMENTC-SFHVURJKSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883606128 1210673674 /nfs/dbraw/zinc/67/36/74/1210673674.db2.gz JNHCXRVKRVICGK-WMLDXEAASA-N 2 0 359.474 0.715 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883605616 1210673725 /nfs/dbraw/zinc/67/37/25/1210673725.db2.gz XZRRXMWXYRNRDD-WMLDXEAASA-N 2 0 357.458 0.469 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1C[NH2+]C1 ZINC000883609299 1210674416 /nfs/dbraw/zinc/67/44/16/1210674416.db2.gz SNRNFKZBDXQVEN-MRXNPFEDSA-N 2 0 357.458 0.340 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883608986 1210674614 /nfs/dbraw/zinc/67/46/14/1210674614.db2.gz LSFTYZRWDHGTJZ-YOEHRIQHSA-N 2 0 359.474 0.763 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883612108 1210675044 /nfs/dbraw/zinc/67/50/44/1210675044.db2.gz SLXCODKXKDWHFD-JQHSSLGASA-N 2 0 369.469 0.482 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611731 1210675089 /nfs/dbraw/zinc/67/50/89/1210675089.db2.gz HTJORRKZYHADKG-RVKKMQEKSA-N 2 0 371.485 0.858 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611730 1210675270 /nfs/dbraw/zinc/67/52/70/1210675270.db2.gz HTJORRKZYHADKG-RKVPGOIHSA-N 2 0 371.485 0.858 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000883639274 1210677012 /nfs/dbraw/zinc/67/70/12/1210677012.db2.gz KQHSMSMPZQIQOE-INMHGKMJSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883640638 1210677740 /nfs/dbraw/zinc/67/77/40/1210677740.db2.gz VCVHTSBBECLACP-PMPSAXMXSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCN1c1cc[nH+]cc1 ZINC000883641310 1210678256 /nfs/dbraw/zinc/67/82/56/1210678256.db2.gz LMNQNXZCCDATNC-HNAYVOBHSA-N 2 0 357.458 0.473 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884223217 1210723957 /nfs/dbraw/zinc/72/39/57/1210723957.db2.gz KZOHWLQMOBJEJL-INIZCTEOSA-N 2 0 373.501 0.722 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884388497 1210732366 /nfs/dbraw/zinc/73/23/66/1210732366.db2.gz XODRVMCHAJFASU-FGTMMUONSA-N 2 0 373.501 0.992 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884490561 1210738554 /nfs/dbraw/zinc/73/85/54/1210738554.db2.gz ACFCEYHIGOFOHP-XHSDSOJGSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000884503466 1210740343 /nfs/dbraw/zinc/74/03/43/1210740343.db2.gz LZLPSKMROZPVNA-KBAYOESNSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884509576 1210742266 /nfs/dbraw/zinc/74/22/66/1210742266.db2.gz JWDGSFIYRWEZQA-COXVUDFISA-N 2 0 357.458 0.296 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000884516622 1210742947 /nfs/dbraw/zinc/74/29/47/1210742947.db2.gz OQTICMCOFSEGGR-WBVHZDCISA-N 2 0 366.506 0.476 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000884516325 1210742986 /nfs/dbraw/zinc/74/29/86/1210742986.db2.gz HUCKXIONZQJUII-INIZCTEOSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000884517107 1210743099 /nfs/dbraw/zinc/74/30/99/1210743099.db2.gz DIKHTIGKPFVQCI-HUUCEWRRSA-N 2 0 359.474 0.215 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000884518093 1210743560 /nfs/dbraw/zinc/74/35/60/1210743560.db2.gz FKBWFAMWXRLJBY-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884532972 1210745660 /nfs/dbraw/zinc/74/56/60/1210745660.db2.gz VWRYLQKFZDMBHY-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1C[NH3+] ZINC000884539676 1210746186 /nfs/dbraw/zinc/74/61/86/1210746186.db2.gz HLVCSNIEGZXZSK-CRAIPNDOSA-N 2 0 358.486 0.952 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000884539830 1210746623 /nfs/dbraw/zinc/74/66/23/1210746623.db2.gz LIGNFBUVVYIEDA-GHTZIAJQSA-N 2 0 370.497 0.967 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000884553853 1210749462 /nfs/dbraw/zinc/74/94/62/1210749462.db2.gz IRJAGCGQCSCSFX-CZUORRHYSA-N 2 0 356.470 0.690 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884558207 1210751048 /nfs/dbraw/zinc/75/10/48/1210751048.db2.gz MRBFHQKXVPAQCR-IRXDYDNUSA-N 2 0 374.485 0.596 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000884566823 1210752704 /nfs/dbraw/zinc/75/27/04/1210752704.db2.gz UVWBJDBJQCWACH-UHFFFAOYSA-N 2 0 372.513 0.932 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572912 1210754936 /nfs/dbraw/zinc/75/49/36/1210754936.db2.gz YUUGYHZXZCLJQE-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884577255 1210755175 /nfs/dbraw/zinc/75/51/75/1210755175.db2.gz ANILWCCKJUWJGK-KFWWJZLASA-N 2 0 374.476 0.832 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884577326 1210755441 /nfs/dbraw/zinc/75/54/41/1210755441.db2.gz CJFNPLLLAOCSJD-RBUKOAKNSA-N 2 0 370.497 0.904 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884577364 1210755593 /nfs/dbraw/zinc/75/55/93/1210755593.db2.gz DHKIRHMFCVZPMB-MAUKXSAKSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000884601817 1210760169 /nfs/dbraw/zinc/76/01/69/1210760169.db2.gz WGTUHPHUGCFOIS-BBTUJRGHSA-N 2 0 370.497 0.693 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000884608844 1210761973 /nfs/dbraw/zinc/76/19/73/1210761973.db2.gz YNRFLOUVGFTWAN-RHSMWYFYSA-N 2 0 360.502 0.910 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000884629952 1210766665 /nfs/dbraw/zinc/76/66/65/1210766665.db2.gz NQNNQKDTEIPZRZ-GOEBONIOSA-N 2 0 362.474 0.581 20 0 FCADRP [NH3+][C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000884631520 1210768226 /nfs/dbraw/zinc/76/82/26/1210768226.db2.gz MZBDSBMWILXQBW-ZWKOTPCHSA-N 2 0 358.486 0.663 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000884639897 1210770513 /nfs/dbraw/zinc/77/05/13/1210770513.db2.gz NOAVVHAFUMMVCO-WKILWMFISA-N 2 0 366.506 0.381 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884664300 1210774205 /nfs/dbraw/zinc/77/42/05/1210774205.db2.gz HVTYRAHAGPCKEO-SFHVURJKSA-N 2 0 370.497 0.808 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CCCC2)CC1 ZINC000884656793 1210774352 /nfs/dbraw/zinc/77/43/52/1210774352.db2.gz ULUYPADHIOFTOO-GJZGRUSLSA-N 2 0 366.506 0.474 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670429 1210775481 /nfs/dbraw/zinc/77/54/81/1210775481.db2.gz ZPIOWPOJADEKDH-KSZLIROESA-N 2 0 356.470 0.560 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884669938 1210776345 /nfs/dbraw/zinc/77/63/45/1210776345.db2.gz KRLQFLDQDDMYSZ-DLBZAZTESA-N 2 0 367.538 0.106 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690177 1210781052 /nfs/dbraw/zinc/78/10/52/1210781052.db2.gz OZXQDMKUDKCVEQ-RDJZCZTQSA-N 2 0 358.486 0.739 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000884692990 1210782428 /nfs/dbraw/zinc/78/24/28/1210782428.db2.gz HJIAPAWXOXHYJC-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884692377 1210782662 /nfs/dbraw/zinc/78/26/62/1210782662.db2.gz VEAIUTYOFXODOP-CGTJXYLNSA-N 2 0 358.486 0.739 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000884698807 1210783299 /nfs/dbraw/zinc/78/32/99/1210783299.db2.gz SPZHIENQZPCCBG-NVXWUHKLSA-N 2 0 362.474 0.023 20 0 FCADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000884699005 1210783880 /nfs/dbraw/zinc/78/38/80/1210783880.db2.gz WEANZAVGLNJGBN-PBHICJAKSA-N 2 0 362.474 0.023 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000884706105 1210784512 /nfs/dbraw/zinc/78/45/12/1210784512.db2.gz RXSGIONRZCLRJO-GDBMZVCRSA-N 2 0 368.522 0.842 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884707169 1210785099 /nfs/dbraw/zinc/78/50/99/1210785099.db2.gz ALXGCJZGJFEWDH-OTWHNJEPSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884706466 1210785303 /nfs/dbraw/zinc/78/53/03/1210785303.db2.gz CXXATYKBWCUZBJ-BBTUJRGHSA-N 2 0 370.497 0.820 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000884706547 1210785407 /nfs/dbraw/zinc/78/54/07/1210785407.db2.gz GYRUGSVPEUMQPR-CABCVRRESA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721117 1210788667 /nfs/dbraw/zinc/78/86/67/1210788667.db2.gz AUSFCQOSGKSLCM-APWZRJJASA-N 2 0 370.497 0.907 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884742401 1210792511 /nfs/dbraw/zinc/79/25/11/1210792511.db2.gz SFTZQVFNWWVPCR-GOSISDBHSA-N 2 0 360.502 0.911 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000884775672 1210793464 /nfs/dbraw/zinc/79/34/64/1210793464.db2.gz IMENAZFCHSWTIN-OTWHNJEPSA-N 2 0 370.497 0.950 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[NH2+]C1 ZINC000884787089 1210795055 /nfs/dbraw/zinc/79/50/55/1210795055.db2.gz GRIVGEBGRPYYHK-HOTGVXAUSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884805688 1210797971 /nfs/dbraw/zinc/79/79/71/1210797971.db2.gz YCQDCTLOTUXXLI-ZBFHGGJFSA-N 2 0 357.458 0.520 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)cc1 ZINC000884820753 1210798700 /nfs/dbraw/zinc/79/87/00/1210798700.db2.gz WGLBQEHCTGMQCF-KRWDZBQOSA-N 2 0 362.474 0.167 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832835 1210800148 /nfs/dbraw/zinc/80/01/48/1210800148.db2.gz AWKYQRYPKNKFKL-LZLYRXPVSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834567 1210800288 /nfs/dbraw/zinc/80/02/88/1210800288.db2.gz YPLQBVHLXLMAPH-CGTJXYLNSA-N 2 0 358.486 0.820 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884848948 1210801083 /nfs/dbraw/zinc/80/10/83/1210801083.db2.gz FPKZYOBBYIEGNB-HNNXBMFYSA-N 2 0 358.486 0.749 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884848953 1210801229 /nfs/dbraw/zinc/80/12/29/1210801229.db2.gz FPKZYOBBYIEGNB-OAHLLOKOSA-N 2 0 358.486 0.749 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884886698 1210802993 /nfs/dbraw/zinc/80/29/93/1210802993.db2.gz ONQRCIVICDIWCO-ROUUACIJSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884891826 1210803246 /nfs/dbraw/zinc/80/32/46/1210803246.db2.gz OISZQCPCURFZIH-KBAYOESNSA-N 2 0 360.502 0.861 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140738 1210811860 /nfs/dbraw/zinc/81/18/60/1210811860.db2.gz XNPRBQRRDJPEBF-JKSUJKDBSA-N 2 0 366.506 0.109 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140737 1210811900 /nfs/dbraw/zinc/81/19/00/1210811900.db2.gz XNPRBQRRDJPEBF-HZPDHXFCSA-N 2 0 366.506 0.109 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885148478 1210812440 /nfs/dbraw/zinc/81/24/40/1210812440.db2.gz PFWDSZRSMTYIMT-MRXNPFEDSA-N 2 0 366.506 0.206 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885155819 1210813422 /nfs/dbraw/zinc/81/34/22/1210813422.db2.gz CCUHQKTZDDEZQN-SFHVURJKSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000885195292 1210815602 /nfs/dbraw/zinc/81/56/02/1210815602.db2.gz JXFXEMHAIBXHRF-DLBZAZTESA-N 2 0 358.486 0.963 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292143 1210817404 /nfs/dbraw/zinc/81/74/04/1210817404.db2.gz RLCQLWDOHOLBJU-LSDHHAIUSA-N 2 0 372.460 0.538 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285771 1210817527 /nfs/dbraw/zinc/81/75/27/1210817527.db2.gz SWUBVRSKJUCWAY-AWEZNQCLSA-N 2 0 374.476 0.928 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000885290559 1210817548 /nfs/dbraw/zinc/81/75/48/1210817548.db2.gz DWZUTEDZGPXCPT-HUUCEWRRSA-N 2 0 372.460 0.824 20 0 FCADRP O=C(CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000886872536 1210838658 /nfs/dbraw/zinc/83/86/58/1210838658.db2.gz VBERJJUIZUFPNN-FQEVSTJZSA-N 2 0 372.517 0.981 20 0 FCADRP CCN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000886994419 1210842034 /nfs/dbraw/zinc/84/20/34/1210842034.db2.gz WFEDQUMHRPIELK-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001691719523 1210843107 /nfs/dbraw/zinc/84/31/07/1210843107.db2.gz HAFMWGOHTWAFCY-NXHRZFHOSA-N 2 0 355.523 0.941 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887067935 1210845243 /nfs/dbraw/zinc/84/52/43/1210845243.db2.gz BYZAPWITFODNBW-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000887091216 1210847000 /nfs/dbraw/zinc/84/70/00/1210847000.db2.gz DLBQLKZVDVVHHY-HZPDHXFCSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000887091361 1210847024 /nfs/dbraw/zinc/84/70/24/1210847024.db2.gz INNRZKXLLNJVET-PMPSAXMXSA-N 2 0 359.474 0.562 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3C(=O)C23CC[NH+](CC2)CC3)CC1 ZINC001274004324 1210857984 /nfs/dbraw/zinc/85/79/84/1210857984.db2.gz AHVPBUXBCLQEIK-MGPUTAFESA-N 2 0 360.502 0.674 20 0 FCADRP [NH3+][C@@H]1CCCN(Cc2cn(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451471 1210858551 /nfs/dbraw/zinc/85/85/51/1210858551.db2.gz NHTFQVVDSPNLPL-QUCCMNQESA-N 2 0 370.501 0.838 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001274098480 1210880222 /nfs/dbraw/zinc/88/02/22/1210880222.db2.gz PJPGQYDCRUYZEN-IRXDYDNUSA-N 2 0 360.502 0.387 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274179512 1210904976 /nfs/dbraw/zinc/90/49/76/1210904976.db2.gz NXZVFHNXQTYYSZ-JXXFODFXSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180272 1210906509 /nfs/dbraw/zinc/90/65/09/1210906509.db2.gz VUNPVPXBTROLRO-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP CCN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000890129781 1210966104 /nfs/dbraw/zinc/96/61/04/1210966104.db2.gz DGFNBTKNDWEVDT-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000890150050 1210970246 /nfs/dbraw/zinc/97/02/46/1210970246.db2.gz UDHYYCHFEHZFQV-UHFFFAOYSA-N 2 0 361.446 0.072 20 0 FCADRP CC[NH+]1CCN(CC(=O)N[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)CC1 ZINC001274370790 1211039517 /nfs/dbraw/zinc/03/95/17/1211039517.db2.gz RJEPAERQCHZWAG-UXHICEINSA-N 2 0 365.566 0.737 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001274418806 1211049619 /nfs/dbraw/zinc/04/96/19/1211049619.db2.gz LKHCKROKRFTALK-KRWDZBQOSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CCC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001274909039 1211142043 /nfs/dbraw/zinc/14/20/43/1211142043.db2.gz SQIBBWILZITHLL-IRXDYDNUSA-N 2 0 361.490 0.679 20 0 FCADRP O=C1CC[C@H](C[N@@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3=O)CC2)N1 ZINC001275149225 1211181402 /nfs/dbraw/zinc/18/14/02/1211181402.db2.gz VCVSIEQDTWBWJH-VQIMIIECSA-N 2 0 359.474 0.866 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cn[nH]c2)CC1 ZINC001275169756 1211187535 /nfs/dbraw/zinc/18/75/35/1211187535.db2.gz LVVLGSBCJRVFAH-QZTJIDSGSA-N 2 0 360.506 0.613 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275171684 1211188360 /nfs/dbraw/zinc/18/83/60/1211188360.db2.gz MUEFWTOKMBYSDO-KSZLIROESA-N 2 0 368.522 0.023 20 0 FCADRP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178540 1211191211 /nfs/dbraw/zinc/19/12/11/1211191211.db2.gz XTBCHHDWYVCJGB-QGZVFWFLSA-N 2 0 360.506 0.009 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnccn3)C2)C1=O ZINC001275472985 1211247343 /nfs/dbraw/zinc/24/73/43/1211247343.db2.gz RVDLKFCVQPGEIM-GOSISDBHSA-N 2 0 354.414 0.751 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556957 1211256365 /nfs/dbraw/zinc/25/63/65/1211256365.db2.gz QXHKOCVEHTZZLP-QFBILLFUSA-N 2 0 367.490 0.583 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C3)CC1 ZINC001275576962 1211258818 /nfs/dbraw/zinc/25/88/18/1211258818.db2.gz PTROSLBDAANSFD-CVEARBPZSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001275722329 1211274935 /nfs/dbraw/zinc/27/49/35/1211274935.db2.gz NVVFPHDNKVGYMW-MGPUTAFESA-N 2 0 360.502 0.816 20 0 FCADRP COC[C@@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275736849 1211278992 /nfs/dbraw/zinc/27/89/92/1211278992.db2.gz HUTOVZSYDYCIRC-QFBILLFUSA-N 2 0 367.490 0.631 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803708 1211287422 /nfs/dbraw/zinc/28/74/22/1211287422.db2.gz KOVIMYBZSTVQED-UYAOXDASSA-N 2 0 364.534 0.870 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833824 1211294032 /nfs/dbraw/zinc/29/40/32/1211294032.db2.gz QKMCRAPJSKNBIK-UZLBHIALSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552705 1211295379 /nfs/dbraw/zinc/29/53/79/1211295379.db2.gz GXSINKCSIVYNKH-QZTJIDSGSA-N 2 0 367.538 0.375 20 0 FCADRP CN(C)c1ncc(C[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)cn1 ZINC001276107338 1211355051 /nfs/dbraw/zinc/35/50/51/1211355051.db2.gz PTONBGAEGCLWPC-INIZCTEOSA-N 2 0 360.506 0.823 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccnc4[nH]ccc43)C2)OCC1=O ZINC001276218200 1211383270 /nfs/dbraw/zinc/38/32/70/1211383270.db2.gz KJSUDTRTLXPRJY-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000545881569 1211425651 /nfs/dbraw/zinc/42/56/51/1211425651.db2.gz IXZWJUSANUNORT-HXUWFJFHSA-N 2 0 374.485 0.794 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC000926138374 1211517768 /nfs/dbraw/zinc/51/77/68/1211517768.db2.gz NRQKRFHTQYJWIL-XSYGEPLQSA-N 2 0 365.518 0.693 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171547 1211519853 /nfs/dbraw/zinc/51/98/53/1211519853.db2.gz YGKVXLPBKCBWEO-JYBIWHBTSA-N 2 0 366.550 0.610 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C[C@H]1[NH3+] ZINC000926318863 1211530370 /nfs/dbraw/zinc/53/03/70/1211530370.db2.gz BEDZVAKCDQWIBA-CRAIPNDOSA-N 2 0 373.501 0.353 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926349329 1211537637 /nfs/dbraw/zinc/53/76/37/1211537637.db2.gz VSHHDDHHAICEAR-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221320891 1225296291 /nfs/dbraw/zinc/29/62/91/1225296291.db2.gz HTLRMVNQYYQVQC-CXAGYDPISA-N 2 0 362.474 0.113 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926357320 1211538933 /nfs/dbraw/zinc/53/89/33/1211538933.db2.gz WCPQZVIJHUZUQL-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000926386959 1211544034 /nfs/dbraw/zinc/54/40/34/1211544034.db2.gz QVSKVCGMTBVCLU-GBESFXJTSA-N 2 0 370.497 0.917 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926397590 1211545774 /nfs/dbraw/zinc/54/57/74/1211545774.db2.gz MJJOMGYNHQEHLZ-HRCADAONSA-N 2 0 357.458 0.187 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)CCO2 ZINC000927637550 1211577589 /nfs/dbraw/zinc/57/75/89/1211577589.db2.gz WFLVVCNUGPPRRZ-KRWDZBQOSA-N 2 0 366.506 0.746 20 0 FCADRP COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337330 1225300302 /nfs/dbraw/zinc/30/03/02/1225300302.db2.gz PQRHKZISQLBYDP-JKSUJKDBSA-N 2 0 359.430 0.919 20 0 FCADRP Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)[C@@H](N)C[NH3+])C(C)(C)C)c1=O ZINC001221358907 1225302841 /nfs/dbraw/zinc/30/28/41/1225302841.db2.gz SCVWXLXEXISTGX-AWEZNQCLSA-N 2 0 372.473 0.324 20 0 FCADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001221365942 1225303066 /nfs/dbraw/zinc/30/30/66/1225303066.db2.gz LHTHTTHZCUEQAE-CVEARBPZSA-N 2 0 361.442 0.497 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)[NH2+]C1 ZINC001221391121 1225305229 /nfs/dbraw/zinc/30/52/29/1225305229.db2.gz AVSSZSXJCGOCLB-MJGOQNOKSA-N 2 0 359.518 0.771 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)c1 ZINC001221406938 1225307089 /nfs/dbraw/zinc/30/70/89/1225307089.db2.gz VQTZFCBZKRHDSM-CVEARBPZSA-N 2 0 370.457 0.354 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404091 1225307542 /nfs/dbraw/zinc/30/75/42/1225307542.db2.gz GISHEMDJIOKWEG-SJORKVTESA-N 3 0 362.474 0.264 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931611104 1211763465 /nfs/dbraw/zinc/76/34/65/1211763465.db2.gz FYIPOSNOOBZCCI-CQSZACIVSA-N 2 0 361.490 0.953 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001095784554 1212000165 /nfs/dbraw/zinc/00/01/65/1212000165.db2.gz YLVBCBCKKRCUMA-OWEAFNKSSA-N 2 0 371.485 0.468 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001111281559 1212233369 /nfs/dbraw/zinc/23/33/69/1212233369.db2.gz XUBWVCDCXOOBSV-TVFCKZIOSA-N 2 0 369.506 0.482 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949017342 1212276220 /nfs/dbraw/zinc/27/62/20/1212276220.db2.gz GHHXIJSOADRBHP-ZACQAIPSSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000949206241 1212324178 /nfs/dbraw/zinc/32/41/78/1212324178.db2.gz XJILIYYRWBANRD-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949887510 1212480936 /nfs/dbraw/zinc/48/09/36/1212480936.db2.gz XQGFFGDXAPULMX-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001111309050 1212536363 /nfs/dbraw/zinc/53/63/63/1212536363.db2.gz JBCDFZRRXJOWCZ-VQHPVUNQSA-N 2 0 366.506 0.033 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001007692181 1212554431 /nfs/dbraw/zinc/55/44/31/1212554431.db2.gz JPRBAKVRBKWVPO-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000950701040 1212633823 /nfs/dbraw/zinc/63/38/23/1212633823.db2.gz OHNISCFFGRDVDR-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP O=C([C@H]1CCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221616534 1225400698 /nfs/dbraw/zinc/40/06/98/1225400698.db2.gz OMJWWPWXVJKZCE-BHIYHBOVSA-N 2 0 365.518 0.935 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000952407718 1212947186 /nfs/dbraw/zinc/94/71/86/1212947186.db2.gz LWWCPHGPCMQDRV-KBRIMQKVSA-N 2 0 359.474 0.496 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000952724095 1212973549 /nfs/dbraw/zinc/97/35/49/1212973549.db2.gz FXNZREOYCCSVRM-HSFUPAIVSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000954049075 1213036301 /nfs/dbraw/zinc/03/63/01/1213036301.db2.gz PGDOIPJXVYTRHL-NVXWUHKLSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000954648522 1213097636 /nfs/dbraw/zinc/09/76/36/1213097636.db2.gz LKDYZGYTQMYTCL-HLLBOEOZSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CCc2cncn2C1 ZINC000957085627 1213247447 /nfs/dbraw/zinc/24/74/47/1213247447.db2.gz CDBDJRNHEWANMV-BFYDXBDKSA-N 2 0 371.485 0.504 20 0 FCADRP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701528 1225447855 /nfs/dbraw/zinc/44/78/55/1225447855.db2.gz SNSQCNKXXOQFKC-SYJBPTKTSA-N 2 0 363.502 0.807 20 0 FCADRP COCC[N@@H+]1CCC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276356966 1213446446 /nfs/dbraw/zinc/44/64/46/1213446446.db2.gz CMFNUGFZTZCWRN-HXUWFJFHSA-N 2 0 366.550 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000959655163 1213486318 /nfs/dbraw/zinc/48/63/18/1213486318.db2.gz RSHHEBBAMZAGPP-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001221771791 1225475729 /nfs/dbraw/zinc/47/57/29/1225475729.db2.gz HBUILHYCCLYTJG-IXDOHACOSA-N 2 0 361.490 0.119 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960415334 1213747598 /nfs/dbraw/zinc/74/75/98/1213747598.db2.gz KQPCYYYHMHMQOL-IXDOHACOSA-N 2 0 364.490 0.005 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CCC[NH+]2C)C3)CC[N@@H+]1C ZINC001010680354 1213808174 /nfs/dbraw/zinc/80/81/74/1213808174.db2.gz GRZMXEDNSUDRSU-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1)[NH+](C)C ZINC000960575355 1213827100 /nfs/dbraw/zinc/82/71/00/1213827100.db2.gz IDBUZZQVZDRJRO-IXDOHACOSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C3)CC[NH+]1C ZINC001019070595 1214190050 /nfs/dbraw/zinc/19/00/50/1214190050.db2.gz VEULSCLKMLMOCT-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C3)CC[N@@H+]1C ZINC001019070142 1214190364 /nfs/dbraw/zinc/19/03/64/1214190364.db2.gz APWWYRHAVQARTA-DJIMGWMZSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001019070225 1214190438 /nfs/dbraw/zinc/19/04/38/1214190438.db2.gz FIHNQMNBTWIBLO-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019070353 1214190917 /nfs/dbraw/zinc/19/09/17/1214190917.db2.gz KEHVXZRVRPRJSD-ZACQAIPSSA-N 2 0 364.534 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001019072397 1214191937 /nfs/dbraw/zinc/19/19/37/1214191937.db2.gz HCLNBUHLFRRWHA-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419505991 1214204570 /nfs/dbraw/zinc/20/45/70/1214204570.db2.gz LEPFSVYIGNSNGG-RXVVDRJESA-N 2 0 370.497 0.979 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961665610 1214261620 /nfs/dbraw/zinc/26/16/20/1214261620.db2.gz ZUJGOOZJUISDHT-UYTYNIKBSA-N 2 0 364.534 0.830 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC000961856764 1214337041 /nfs/dbraw/zinc/33/70/41/1214337041.db2.gz NBIQNMORWMFLRB-SSHXOBKSSA-N 2 0 363.510 0.969 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC000961929257 1214361653 /nfs/dbraw/zinc/36/16/53/1214361653.db2.gz XPWCDAKQKWUMNX-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP COc1ncccc1C[NH2+]CC1CC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000961988291 1214392789 /nfs/dbraw/zinc/39/27/89/1214392789.db2.gz FRXOQUOZWFRAMV-RKHAHWSXSA-N 2 0 362.474 0.794 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NC2CC2)C3)CC[N@@H+]1C ZINC001040211575 1214485110 /nfs/dbraw/zinc/48/51/10/1214485110.db2.gz XOIFXIJTCJJLHQ-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCn2cncn2)C3)CC[N@@H+]1C ZINC001040211803 1214485219 /nfs/dbraw/zinc/48/52/19/1214485219.db2.gz ZTNJPWBUYSTRMQ-ZHALLVOQSA-N 2 0 360.506 0.933 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCN(C)C2=O)C3)CC[N@@H+]1C ZINC000963823424 1214859149 /nfs/dbraw/zinc/85/91/49/1214859149.db2.gz JTYVVYJWOJCZBR-LKWYGBNPSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)c1nnnn1C ZINC000963830984 1214861033 /nfs/dbraw/zinc/86/10/33/1214861033.db2.gz WCVIQEAOQPLQGD-GIQYRRDHSA-N 2 0 361.494 0.628 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000964934463 1215006738 /nfs/dbraw/zinc/00/67/38/1215006738.db2.gz NBYLXIOCODQWDA-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013763 1225575891 /nfs/dbraw/zinc/57/58/91/1225575891.db2.gz KVVSQLFOJAAJPA-KZNAEPCWSA-N 2 0 360.506 0.933 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000966066395 1215161772 /nfs/dbraw/zinc/16/17/72/1215161772.db2.gz UKZCPPXEKQUIRH-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000968091901 1215284247 /nfs/dbraw/zinc/28/42/47/1215284247.db2.gz TUJKGKBHHSKVFP-HYVNUMGLSA-N 2 0 366.506 0.249 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045943 1225588782 /nfs/dbraw/zinc/58/87/82/1225588782.db2.gz YDYDHWBGZVHLPT-ZIFCJYIRSA-N 2 0 361.486 0.902 20 0 FCADRP CC[C@H](C(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1)[NH+](C)C ZINC001055647336 1215897473 /nfs/dbraw/zinc/89/74/73/1215897473.db2.gz QFWUWMZFKGLBLR-OIISXLGYSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001055966835 1215929336 /nfs/dbraw/zinc/92/93/36/1215929336.db2.gz KWDADLUFNIOWEX-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC001000702102 1216108054 /nfs/dbraw/zinc/10/80/54/1216108054.db2.gz QDNBKVNGKXFISM-BPQIPLTHSA-N 2 0 362.518 0.991 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001001408311 1216191408 /nfs/dbraw/zinc/19/14/08/1216191408.db2.gz HIBNBTMWZNJQHR-IPELMVKDSA-N 2 0 367.534 0.942 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001001427005 1216196299 /nfs/dbraw/zinc/19/62/99/1216196299.db2.gz ZRMZNVVKPNAPCD-XHSDSOJGSA-N 2 0 364.490 0.350 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001050050914 1216275864 /nfs/dbraw/zinc/27/58/64/1216275864.db2.gz LWKGYEFWFPHSPX-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)CC2)C1=O ZINC001050524421 1216331625 /nfs/dbraw/zinc/33/16/25/1216331625.db2.gz CAPXOQVXXSJIPW-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)ncn3)C2)CC[N@@H+]1C ZINC001051624501 1216469364 /nfs/dbraw/zinc/46/93/64/1216469364.db2.gz QNSXJRSQVULOAR-OKZBNKHCSA-N 2 0 361.490 0.832 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001052389762 1216546656 /nfs/dbraw/zinc/54/66/56/1216546656.db2.gz ZCQBDEPQZSYDHK-NUJGCVRESA-N 2 0 366.506 0.189 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151847 1225683409 /nfs/dbraw/zinc/68/34/09/1225683409.db2.gz XSVVXKPSOVUIFS-PBIMCDDKSA-N 2 0 363.502 0.809 20 0 FCADRP Cn1c(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cccc1=O ZINC001276869176 1225687390 /nfs/dbraw/zinc/68/73/90/1225687390.db2.gz WCKTVEDNVQVKDE-LJQANCHMSA-N 2 0 360.458 0.288 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068461660 1216738562 /nfs/dbraw/zinc/73/85/62/1216738562.db2.gz SQJGFHPJFDNKFK-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068939647 1216770429 /nfs/dbraw/zinc/77/04/29/1216770429.db2.gz GGKCRBDGWGTGGD-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CCC[NH+](C)C)CO3)CC[N@@H+]1C ZINC001068989510 1216772591 /nfs/dbraw/zinc/77/25/91/1216772591.db2.gz PTMBQEPWOLTFJM-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)NC(=O)NCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248355 1225694036 /nfs/dbraw/zinc/69/40/36/1225694036.db2.gz JEMHIGFJEVMRSM-NVXWUHKLSA-N 2 0 367.538 0.862 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)C12CCC[NH+](CCC1)C2 ZINC001069955612 1216865687 /nfs/dbraw/zinc/86/56/87/1216865687.db2.gz DOJCXCDJCOHSBV-SJORKVTESA-N 2 0 358.490 0.906 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccn2c[nH+]cc2c1 ZINC001069970467 1216876572 /nfs/dbraw/zinc/87/65/72/1216876572.db2.gz HHNHEXJWVNXWRR-SJORKVTESA-N 2 0 351.414 0.991 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)CC1 ZINC001223378354 1225702313 /nfs/dbraw/zinc/70/23/13/1225702313.db2.gz HNINGCKTOVXPKM-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)CC1 ZINC001223387244 1225702551 /nfs/dbraw/zinc/70/25/51/1225702551.db2.gz CINZKKRSTGPWMF-CVEARBPZSA-N 2 0 363.506 0.276 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223984803 1225750100 /nfs/dbraw/zinc/75/01/00/1225750100.db2.gz JFRPIBJILBLSLE-MSOLQXFVSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223978196 1225750199 /nfs/dbraw/zinc/75/01/99/1225750199.db2.gz SSZZXSXNYBYTEH-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)c1cnc(C(=O)N[C@H](C)CC[NH+](C)C)cn1 ZINC000900695633 1218025590 /nfs/dbraw/zinc/02/55/90/1218025590.db2.gz SQSKDCRTWBGWSJ-ZIAGYGMSSA-N 2 0 364.494 0.617 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)c1cnc(C(=O)N[C@@H](C)CC[NH+](C)C)cn1 ZINC000900695632 1218026135 /nfs/dbraw/zinc/02/61/35/1218026135.db2.gz SQSKDCRTWBGWSJ-OKILXGFUSA-N 2 0 364.494 0.617 20 0 FCADRP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900807566 1218039983 /nfs/dbraw/zinc/03/99/83/1218039983.db2.gz UQPBALWLYHZGRI-XLIONFOSSA-N 2 0 373.545 0.798 20 0 FCADRP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900807563 1218041005 /nfs/dbraw/zinc/04/10/05/1218041005.db2.gz UQPBALWLYHZGRI-PXNSSMCTSA-N 2 0 373.545 0.798 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCOC2)cn1 ZINC001096140450 1218089891 /nfs/dbraw/zinc/08/98/91/1218089891.db2.gz ZNPFHDXAIUHMRP-RANZSIQMSA-N 2 0 361.490 0.816 20 0 FCADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537269 1218159886 /nfs/dbraw/zinc/15/98/86/1218159886.db2.gz BRJJLQPDCOUWRV-XWSJACJDSA-N 2 0 361.486 0.482 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)cc1=O ZINC001096344688 1218257187 /nfs/dbraw/zinc/25/71/87/1218257187.db2.gz RINAOYZOCLXLRJ-RANZSIQMSA-N 2 0 358.486 0.949 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001096356870 1218263184 /nfs/dbraw/zinc/26/31/84/1218263184.db2.gz YLDVZQNYMISGNT-NCOADZHNSA-N 2 0 359.474 0.061 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001048528357 1218280145 /nfs/dbraw/zinc/28/01/45/1218280145.db2.gz VQUTWFDTEDVKFD-PNVOZDDCSA-N 2 0 362.518 0.964 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048920324 1218341113 /nfs/dbraw/zinc/34/11/13/1218341113.db2.gz MPYQTBUKNMNCNB-WCVJEAGWSA-N 2 0 368.522 0.087 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049019894 1218365402 /nfs/dbraw/zinc/36/54/02/1218365402.db2.gz WSWPVAGUNHSTMV-WCVJEAGWSA-N 2 0 368.522 0.087 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508454 1218430590 /nfs/dbraw/zinc/43/05/90/1218430590.db2.gz HLDXDHJQUMVFAG-CALCHBBNSA-N 2 0 360.506 0.876 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1O)[NH+](C)C ZINC001049577888 1218493771 /nfs/dbraw/zinc/49/37/71/1218493771.db2.gz JTESJZHYLZGWEN-QEOTZNIISA-N 2 0 368.522 0.087 20 0 FCADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903755351 1218516657 /nfs/dbraw/zinc/51/66/57/1218516657.db2.gz FYMCTJPFHXHAIM-INIZCTEOSA-N 2 0 367.490 0.536 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001225846178 1225826330 /nfs/dbraw/zinc/82/63/30/1225826330.db2.gz DRXOEJOHUFOMMW-NPYXIHBLSA-N 2 0 365.522 0.854 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCOC2)n1 ZINC001097095954 1218687634 /nfs/dbraw/zinc/68/76/34/1218687634.db2.gz ZICXCOHLKXBCQN-IDCNUPLLSA-N 2 0 361.490 0.816 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001097104538 1218688873 /nfs/dbraw/zinc/68/88/73/1218688873.db2.gz AJJBGBGXEQSZBX-JJTUDDRGSA-N 2 0 363.506 0.463 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226800396 1225854608 /nfs/dbraw/zinc/85/46/08/1225854608.db2.gz KKUJOYDOCNVDDC-FMKPAKJESA-N 2 0 367.494 0.189 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001227065564 1225862862 /nfs/dbraw/zinc/86/28/62/1225862862.db2.gz HKFXSWCTDJZLSV-OAGGEKHMSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC(C)(C)O)CC2)CC[N@@H+]1C ZINC001055569087 1219081925 /nfs/dbraw/zinc/08/19/25/1219081925.db2.gz PIFHSIPUFNGLNG-GDBMZVCRSA-N 2 0 368.522 0.184 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055579625 1219086356 /nfs/dbraw/zinc/08/63/56/1219086356.db2.gz HREWOBXLUZBSNH-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cc[nH]c3)CC2)CC[N@@H+]1C ZINC001055583607 1219087805 /nfs/dbraw/zinc/08/78/05/1219087805.db2.gz UXSGPSYBMFEHHA-RHSMWYFYSA-N 2 0 361.490 0.665 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000804058953 1219111797 /nfs/dbraw/zinc/11/17/97/1219111797.db2.gz HAVPZHMLZFKBSI-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061308 1219116601 /nfs/dbraw/zinc/11/66/01/1219116601.db2.gz XITUSVSYCPVPPR-IRXDYDNUSA-N 2 0 364.490 0.053 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001227275305 1225869335 /nfs/dbraw/zinc/86/93/35/1225869335.db2.gz AOOLIRZOUJAWHN-BFHYXJOUSA-N 2 0 365.478 0.215 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1)OC ZINC001070078179 1219147297 /nfs/dbraw/zinc/14/72/97/1219147297.db2.gz YKKOBYJLRLDFBI-XHSDSOJGSA-N 2 0 362.478 0.140 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCOCC2)CC[N@@H+]1C ZINC001070123426 1219194797 /nfs/dbraw/zinc/19/47/97/1219194797.db2.gz NQOXQXJTAMTYOG-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)c1 ZINC001070158321 1219244648 /nfs/dbraw/zinc/24/46/48/1219244648.db2.gz FXEBAPMIAFFYBK-KURKYZTESA-N 2 0 369.473 0.617 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)OCC1=O ZINC001277228380 1225880632 /nfs/dbraw/zinc/88/06/32/1225880632.db2.gz MPHRPYKKEHIHEF-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)c1 ZINC001070327703 1219378079 /nfs/dbraw/zinc/37/80/79/1219378079.db2.gz CGUPRVMTDFBELA-MSOLQXFVSA-N 2 0 369.473 0.619 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070475526 1219426035 /nfs/dbraw/zinc/42/60/35/1219426035.db2.gz SITRSOSJUBQJQK-UHOSZYNNSA-N 2 0 368.485 0.994 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070542949 1219460242 /nfs/dbraw/zinc/46/02/42/1219460242.db2.gz CBSUSQAFUROEBR-JQHSSLGASA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070563928 1219470772 /nfs/dbraw/zinc/47/07/72/1219470772.db2.gz LYLRUUHUROWKSJ-XYJFISCASA-N 2 0 371.489 0.190 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)n2)O1 ZINC001070575782 1219476813 /nfs/dbraw/zinc/47/68/13/1219476813.db2.gz NZFVYPVBRAMTJS-KYEXWDHISA-N 2 0 373.461 0.788 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629832 1219494655 /nfs/dbraw/zinc/49/46/55/1219494655.db2.gz TUGMIVRVNBIASU-BRWVUGGUSA-N 2 0 371.489 0.332 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070659381 1219512454 /nfs/dbraw/zinc/51/24/54/1219512454.db2.gz JQWWVOOKIDKCLR-HZPDHXFCSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070718967 1219541558 /nfs/dbraw/zinc/54/15/58/1219541558.db2.gz MZGFVSXQQSDIDM-DJIMGWMZSA-N 2 0 371.489 0.190 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)CCO1 ZINC001228262695 1225905809 /nfs/dbraw/zinc/90/58/09/1225905809.db2.gz XMBLXKHKCFVALK-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923753 1219581945 /nfs/dbraw/zinc/58/19/45/1219581945.db2.gz BLWHHQSWMFOARO-ZACQAIPSSA-N 2 0 364.490 0.988 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001277283473 1225906041 /nfs/dbraw/zinc/90/60/41/1225906041.db2.gz QTDGBAHNJJFRQM-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001071069286 1219599697 /nfs/dbraw/zinc/59/96/97/1219599697.db2.gz ZCPDFFYAXUKMGE-WBVHZDCISA-N 2 0 364.490 0.086 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071106615 1219608409 /nfs/dbraw/zinc/60/84/09/1219608409.db2.gz MBGWPAZSDDXCRT-NUJGCVRESA-N 2 0 366.506 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC001072754899 1219621807 /nfs/dbraw/zinc/62/18/07/1219621807.db2.gz JHLHCRNKAVOCIK-JKSUJKDBSA-N 2 0 363.506 0.276 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCN(CC)C2=O)C3)CC[N@@H+]1C ZINC001072755160 1219621957 /nfs/dbraw/zinc/62/19/57/1219621957.db2.gz WWQMPSBNJQRGDJ-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC001072755119 1219622043 /nfs/dbraw/zinc/62/20/43/1219622043.db2.gz UCHLKAIILYZUEP-ZNMIVQPWSA-N 2 0 362.474 0.056 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCc3cnn(C)c3)CCCO2)CC[N@@H+]1C ZINC001073611270 1219673117 /nfs/dbraw/zinc/67/31/17/1219673117.db2.gz SCHAQCAMZFITCY-BPQIPLTHSA-N 2 0 363.506 0.510 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001074603455 1219701313 /nfs/dbraw/zinc/70/13/13/1219701313.db2.gz KHEWVAJNTWWZRY-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNC(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001074604589 1219702785 /nfs/dbraw/zinc/70/27/85/1219702785.db2.gz HEQUWWKZWCBIOP-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074728521 1219719414 /nfs/dbraw/zinc/71/94/14/1219719414.db2.gz NPMYLLSTYFZTLI-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001098842277 1219838567 /nfs/dbraw/zinc/83/85/67/1219838567.db2.gz ZMVAFBXGASNYIS-LNLFQRSKSA-N 2 0 358.490 0.591 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030038 1219892157 /nfs/dbraw/zinc/89/21/57/1219892157.db2.gz UNVMAMPCPKOMKR-FTRWYGJKSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001099026518 1219892378 /nfs/dbraw/zinc/89/23/78/1219892378.db2.gz DBFXSOXZLIOGIE-BXWFABGCSA-N 2 0 363.506 0.467 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099118841 1219919733 /nfs/dbraw/zinc/91/97/33/1219919733.db2.gz DMLJAZIRIJPTOG-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099122444 1219921122 /nfs/dbraw/zinc/92/11/22/1219921122.db2.gz UCSIBYOAXBMBAS-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228602086 1225935929 /nfs/dbraw/zinc/93/59/29/1225935929.db2.gz CGTNCSSCSRYKJR-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001099496153 1220014442 /nfs/dbraw/zinc/01/44/42/1220014442.db2.gz DFCRIIRQIFQOHA-FTRWYGJKSA-N 2 0 362.518 0.825 20 0 FCADRP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099535649 1220026487 /nfs/dbraw/zinc/02/64/87/1220026487.db2.gz QTASZXANEFJFPR-BXWFABGCSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[NH+]1CCCC1 ZINC001228669048 1225941935 /nfs/dbraw/zinc/94/19/35/1225941935.db2.gz KADQUQRGTYZMPF-RCCFBDPRSA-N 2 0 371.522 0.513 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CCC1 ZINC001101266771 1220256742 /nfs/dbraw/zinc/25/67/42/1220256742.db2.gz USROBUSTXVIXMX-APWZRJJASA-N 2 0 362.518 0.777 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291603 1220271996 /nfs/dbraw/zinc/27/19/96/1220271996.db2.gz TYVZAFXOUQHKPR-SUMDDJOVSA-N 2 0 358.442 0.736 20 0 FCADRP C[C@]12CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101310573 1220281167 /nfs/dbraw/zinc/28/11/67/1220281167.db2.gz NAOZVMSUMHZTQL-GGPKGHCWSA-N 2 0 365.518 0.650 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC1 ZINC001101341284 1220293888 /nfs/dbraw/zinc/29/38/88/1220293888.db2.gz GJXMRPWHOSONPY-APWZRJJASA-N 2 0 362.518 0.635 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101342873 1220295170 /nfs/dbraw/zinc/29/51/70/1220295170.db2.gz RFDJCHUFXZFAQY-LMMKCTJWSA-N 2 0 363.506 0.366 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101349045 1220297760 /nfs/dbraw/zinc/29/77/60/1220297760.db2.gz UXNJZEYCUXQGIO-XLIONFOSSA-N 2 0 364.534 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101398083 1220322678 /nfs/dbraw/zinc/32/26/78/1220322678.db2.gz WYICYNFXYFLMMT-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418577 1220333117 /nfs/dbraw/zinc/33/31/17/1220333117.db2.gz YWDXDRSGAKQTCO-AOIWGVFYSA-N 2 0 371.522 0.132 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441100 1220347075 /nfs/dbraw/zinc/34/70/75/1220347075.db2.gz MBMVEQOXIRSPNF-VCBZYWHSSA-N 2 0 364.490 0.304 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443255 1220347342 /nfs/dbraw/zinc/34/73/42/1220347342.db2.gz BIBPMHYUWCNMCF-GJYPPUQNSA-N 2 0 360.506 0.888 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001101464386 1220361467 /nfs/dbraw/zinc/36/14/67/1220361467.db2.gz GHVFCWOEOMDFJM-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819602 1220409129 /nfs/dbraw/zinc/40/91/29/1220409129.db2.gz NZAGGUWYNHVSJA-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101975758 1220449884 /nfs/dbraw/zinc/44/98/84/1220449884.db2.gz BQLFMHBAKNLETC-OLMNPRSZSA-N 2 0 362.518 0.539 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102070841 1220486490 /nfs/dbraw/zinc/48/64/90/1220486490.db2.gz VEWBNOHYERHZAR-NUJGCVRESA-N 2 0 368.522 0.116 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102104344 1220497161 /nfs/dbraw/zinc/49/71/61/1220497161.db2.gz QAXXIRUTMLBVFG-NVXWUHKLSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119549 1220507695 /nfs/dbraw/zinc/50/76/95/1220507695.db2.gz RNLPGXHTMLMWNR-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102122727 1220511550 /nfs/dbraw/zinc/51/15/50/1220511550.db2.gz IXGCOEDZASSOOR-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229038127 1225973751 /nfs/dbraw/zinc/97/37/51/1225973751.db2.gz PRPBPOXVCVEHEL-BRWVUGGUSA-N 2 0 367.494 0.083 20 0 FCADRP COCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171265 1220533016 /nfs/dbraw/zinc/53/30/16/1220533016.db2.gz OYWMIQMQTAAPLM-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312590 1220581909 /nfs/dbraw/zinc/58/19/09/1220581909.db2.gz FELIQRIITDTLEA-NVXWUHKLSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454804 1220629752 /nfs/dbraw/zinc/62/97/52/1220629752.db2.gz SPSNKZXPPPOFAJ-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473924 1220643702 /nfs/dbraw/zinc/64/37/02/1220643702.db2.gz WOSQWLMICBHBRX-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102473643 1220644121 /nfs/dbraw/zinc/64/41/21/1220644121.db2.gz JNTBGIMQQKWWOR-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488843 1220651951 /nfs/dbraw/zinc/65/19/51/1220651951.db2.gz KNEDZZSDGSDSHY-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP COc1cc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)ccn1 ZINC001102511489 1220669993 /nfs/dbraw/zinc/66/99/93/1220669993.db2.gz ZCUHBZGNJXNPFZ-NVXWUHKLSA-N 2 0 364.490 0.853 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513342 1220671849 /nfs/dbraw/zinc/67/18/49/1220671849.db2.gz GSSZPHHFUFZIFF-BZUAXINKSA-N 2 0 364.494 0.028 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513455 1220672735 /nfs/dbraw/zinc/67/27/35/1220672735.db2.gz LGKUBYHJSARTIS-KZNAEPCWSA-N 2 0 371.522 0.444 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102514496 1220673468 /nfs/dbraw/zinc/67/34/68/1220673468.db2.gz YWYJINLYBSRVKI-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513911 1220673625 /nfs/dbraw/zinc/67/36/25/1220673625.db2.gz GKRHDMRWAWOGGN-IXDOHACOSA-N 2 0 370.538 0.409 20 0 FCADRP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514102 1220673759 /nfs/dbraw/zinc/67/37/59/1220673759.db2.gz MTYHTMXUFYHEOH-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514777 1220673914 /nfs/dbraw/zinc/67/39/14/1220673914.db2.gz NBDUCIGJWUORNG-OWCLPIDISA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521130 1220678484 /nfs/dbraw/zinc/67/84/84/1220678484.db2.gz RWBVLVIBTBEOKK-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580542 1220702324 /nfs/dbraw/zinc/70/23/24/1220702324.db2.gz BNAGTPWVBUEBPT-FGTMMUONSA-N 2 0 371.522 0.302 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001102580546 1220703149 /nfs/dbraw/zinc/70/31/49/1220703149.db2.gz BQPQWQPJDZVINE-FGTMMUONSA-N 2 0 363.506 0.536 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580283 1220703846 /nfs/dbraw/zinc/70/38/46/1220703846.db2.gz ORXIARYPMWVWAQ-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783074 1220781952 /nfs/dbraw/zinc/78/19/52/1220781952.db2.gz UUEMGVJTBXHORF-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993655 1220817390 /nfs/dbraw/zinc/81/73/90/1220817390.db2.gz DKHYUSWALAUGAP-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103086858 1220831007 /nfs/dbraw/zinc/83/10/07/1220831007.db2.gz UMHVMXCGTFBLNI-XPKDYRNWSA-N 2 0 364.494 0.023 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365224 1220870972 /nfs/dbraw/zinc/87/09/72/1220870972.db2.gz URJYCTIBDBDARZ-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374950 1220872687 /nfs/dbraw/zinc/87/26/87/1220872687.db2.gz RRTUORWBWSSUEY-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103407696 1220878047 /nfs/dbraw/zinc/87/80/47/1220878047.db2.gz PNIQDLPECCVVGL-IIAWOOMASA-N 2 0 366.510 0.269 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584218 1220907862 /nfs/dbraw/zinc/90/78/62/1220907862.db2.gz HVZQNKQQTNEJCG-BFYDXBDKSA-N 2 0 368.522 0.435 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643966 1220926197 /nfs/dbraw/zinc/92/61/97/1220926197.db2.gz ZQDJCNIXDBMMHM-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646989 1220927936 /nfs/dbraw/zinc/92/79/36/1220927936.db2.gz OSINBYDWODODJL-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655832 1220930772 /nfs/dbraw/zinc/93/07/72/1220930772.db2.gz DLUKSOCWINUHFU-QLFBSQMISA-N 2 0 369.510 0.376 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104202493 1221020716 /nfs/dbraw/zinc/02/07/16/1221020716.db2.gz CRMLFULNGCCVRV-KYJSFNMBSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104202863 1221021045 /nfs/dbraw/zinc/02/10/45/1221021045.db2.gz SPSUSKJAACWMOX-DJIMGWMZSA-N 2 0 360.506 0.731 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202835 1221021055 /nfs/dbraw/zinc/02/10/55/1221021055.db2.gz RSKURSPOSINKQN-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779140 1221105030 /nfs/dbraw/zinc/10/50/30/1221105030.db2.gz WLULCUCJXDNPLP-RFUYNDQBSA-N 2 0 362.474 0.247 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001111854842 1221137698 /nfs/dbraw/zinc/13/76/98/1221137698.db2.gz VJKYRDWKBFFDSO-KXBFYZLASA-N 2 0 364.490 0.448 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857884 1221138231 /nfs/dbraw/zinc/13/82/31/1221138231.db2.gz CYQVALCGGJUZHP-LPHOPBHVSA-N 2 0 368.522 0.452 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855869 1221138585 /nfs/dbraw/zinc/13/85/85/1221138585.db2.gz PWBIFQFSZZPJMI-YRNRMSPPSA-N 2 0 362.518 0.920 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864601 1221141414 /nfs/dbraw/zinc/14/14/14/1221141414.db2.gz XYAFHWBFMDVEAQ-GJYPPUQNSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917191 1221166986 /nfs/dbraw/zinc/16/69/86/1221166986.db2.gz PWANHWSKDKYUFM-QOKNQOGYSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000782582169 1221172311 /nfs/dbraw/zinc/17/23/11/1221172311.db2.gz XAZNDGXFGPSTSE-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111939639 1221179979 /nfs/dbraw/zinc/17/99/79/1221179979.db2.gz KOILZGIJPOCEHR-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C2 ZINC001111949765 1221182015 /nfs/dbraw/zinc/18/20/15/1221182015.db2.gz RSMSBZXKBWYUIA-GLJUWKHASA-N 2 0 367.494 0.143 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCNC(C)=O)C2 ZINC001111952449 1221182672 /nfs/dbraw/zinc/18/26/72/1221182672.db2.gz IRUSFEVCFOMZKY-HKUYNNGSSA-N 2 0 368.522 0.452 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)COCCOC)C2 ZINC001111952474 1221183106 /nfs/dbraw/zinc/18/31/06/1221183106.db2.gz JJFDTYGKHVBPBJ-SCTDSRPQSA-N 2 0 371.522 0.323 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983857 1221193837 /nfs/dbraw/zinc/19/38/37/1221193837.db2.gz SPXWYLNNNDVQDV-BXWFABGCSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001112425615 1221257137 /nfs/dbraw/zinc/25/71/37/1221257137.db2.gz UGVNGXMSYDOAET-UWVAXJGDSA-N 2 0 367.534 0.944 20 0 FCADRP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229693511 1226028587 /nfs/dbraw/zinc/02/85/87/1226028587.db2.gz UTBVBKLKZZWRAW-IAGOWNOFSA-N 2 0 370.538 0.886 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711154 1226029529 /nfs/dbraw/zinc/02/95/29/1226029529.db2.gz XXNKLAOJURNPSB-BRWVUGGUSA-N 2 0 370.538 0.742 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801759 1226035420 /nfs/dbraw/zinc/03/54/20/1226035420.db2.gz VJMHAVSRFNOQAG-IAGOWNOFSA-N 2 0 370.538 0.888 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229837839 1226036650 /nfs/dbraw/zinc/03/66/50/1226036650.db2.gz XCEVRGSJZMKZSQ-RCCFBDPRSA-N 2 0 365.522 0.993 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117311820 1221514892 /nfs/dbraw/zinc/51/48/92/1221514892.db2.gz OXONFOVVFRGRHW-IAGOWNOFSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117312829 1221515239 /nfs/dbraw/zinc/51/52/39/1221515239.db2.gz AXYSOZYUXINVRF-DLBZAZTESA-N 2 0 368.522 0.545 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCc2ccco2)C1 ZINC001230138020 1226056989 /nfs/dbraw/zinc/05/69/89/1226056989.db2.gz CEBFWGDTOZJNNE-USXIJHARSA-N 2 0 362.474 0.865 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[NH3+])C[C@@H](C)O1 ZINC001117979947 1221674796 /nfs/dbraw/zinc/67/47/96/1221674796.db2.gz BMSXCNGZEUEYIE-HUUCEWRRSA-N 2 0 362.474 0.377 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001117985822 1221677672 /nfs/dbraw/zinc/67/76/72/1221677672.db2.gz XIIULBDPOPIKIY-SFHVURJKSA-N 2 0 374.485 0.134 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001118035201 1221692393 /nfs/dbraw/zinc/69/23/93/1221692393.db2.gz PKKSNECUNJONSA-MLHJIOFPSA-N 2 0 358.486 0.929 20 0 FCADRP Cc1c(C(=O)NC2CCN(c3nccn3C)CC2)nnn1C1CC[NH2+]CC1 ZINC001118200277 1221731456 /nfs/dbraw/zinc/73/14/56/1221731456.db2.gz HKMJEBQTEAWHBE-UHFFFAOYSA-N 2 0 372.477 0.643 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC001118330744 1221761630 /nfs/dbraw/zinc/76/16/30/1221761630.db2.gz YCSZXCJSNWZYRC-ZHCJQAHYSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC001118330742 1221761912 /nfs/dbraw/zinc/76/19/12/1221761912.db2.gz YCSZXCJSNWZYRC-HMDCTGQHSA-N 2 0 366.506 0.330 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001230284571 1226071855 /nfs/dbraw/zinc/07/18/55/1226071855.db2.gz LJJLRYKNGPHUOI-GVDBMIGSSA-N 2 0 368.522 0.639 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001119299094 1221898058 /nfs/dbraw/zinc/89/80/58/1221898058.db2.gz CVVQSEHICFHLHL-UHFFFAOYSA-N 2 0 362.478 0.530 20 0 FCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119318452 1221899133 /nfs/dbraw/zinc/89/91/33/1221899133.db2.gz YABCEUDVZYRLMI-IPQPSQTFSA-N 2 0 364.534 0.820 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCC1 ZINC001119342970 1221902253 /nfs/dbraw/zinc/90/22/53/1221902253.db2.gz AABGLWOKGXJAKO-HNNXBMFYSA-N 2 0 366.506 0.252 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410144 1221913661 /nfs/dbraw/zinc/91/36/61/1221913661.db2.gz UVYGVDWPMMXFHN-HZPDHXFCSA-N 2 0 366.506 0.109 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001119610932 1221940560 /nfs/dbraw/zinc/94/05/60/1221940560.db2.gz KKUKIBDPRJBABX-CABCVRRESA-N 2 0 359.474 0.752 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4c3OCC4)C2)OCC1=O ZINC001277478085 1226094302 /nfs/dbraw/zinc/09/43/02/1226094302.db2.gz GLQDFBXYNGUTPV-FQEVSTJZSA-N 2 0 359.470 0.986 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC001120557702 1222104155 /nfs/dbraw/zinc/10/41/55/1222104155.db2.gz MJSZPDVKODEYMB-YJBOKZPZSA-N 2 0 361.490 0.349 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC2CC2)C3)CC[N@@H+]1C ZINC001121133874 1222150682 /nfs/dbraw/zinc/15/06/82/1222150682.db2.gz JIQSKZWECXVATF-NQTHDAFZSA-N 2 0 362.518 0.870 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121927901 1222224900 /nfs/dbraw/zinc/22/49/00/1222224900.db2.gz IVNQWXVXPJCQMR-UHFFFAOYSA-N 2 0 358.446 0.670 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC001121997768 1222231534 /nfs/dbraw/zinc/23/15/34/1222231534.db2.gz HIPFPVGVCQUDMP-IBGZPJMESA-N 2 0 362.474 0.099 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069789 1222238680 /nfs/dbraw/zinc/23/86/80/1222238680.db2.gz GALDXTLWWGNOPR-GVDBMIGSSA-N 2 0 363.506 0.606 20 0 FCADRP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001122358951 1222267225 /nfs/dbraw/zinc/26/72/25/1222267225.db2.gz YOHGOKNINHXRPB-MRXNPFEDSA-N 2 0 364.494 0.255 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513295 1222336014 /nfs/dbraw/zinc/33/60/14/1222336014.db2.gz WRABSNRJTUPXMN-LPHOPBHVSA-N 2 0 357.502 0.761 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1cccnc1F)CC2 ZINC001138786278 1222524550 /nfs/dbraw/zinc/52/45/50/1222524550.db2.gz LKSHFQDCBODPOH-UHFFFAOYSA-N 2 0 363.481 0.891 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(C[C@H]4CCC(=O)N4)CC3)CC2)CC1 ZINC001202899539 1222541507 /nfs/dbraw/zinc/54/15/07/1222541507.db2.gz DCMZDHZXCWXBSQ-QGZVFWFLSA-N 2 0 363.550 0.441 20 0 FCADRP CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)nc3)C[C@@H]2C1 ZINC001232362819 1226148203 /nfs/dbraw/zinc/14/82/03/1226148203.db2.gz CAKZJRMEYLETNK-RBUKOAKNSA-N 2 0 359.518 0.986 20 0 FCADRP CC(CC[NH+]1CCN2C(=O)OC[C@@H]2C1)CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000839507681 1222743169 /nfs/dbraw/zinc/74/31/69/1222743169.db2.gz KFTHFFWNCRCUFX-HOTGVXAUSA-N 2 0 366.462 0.676 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000841148792 1222810087 /nfs/dbraw/zinc/81/00/87/1222810087.db2.gz BJMIXXCOBXFWPY-UHFFFAOYSA-N 2 0 359.474 0.574 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000841214453 1222814240 /nfs/dbraw/zinc/81/42/40/1222814240.db2.gz KXPPPEMBUMVITO-FQEVSTJZSA-N 2 0 371.485 0.589 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000842147868 1222837280 /nfs/dbraw/zinc/83/72/80/1222837280.db2.gz MSVLZZGPMGQYDD-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000842147869 1222837495 /nfs/dbraw/zinc/83/74/95/1222837495.db2.gz MSVLZZGPMGQYDD-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C[NH3+] ZINC000842478782 1222848091 /nfs/dbraw/zinc/84/80/91/1222848091.db2.gz PBXZVWMUUFHQSP-ZIAGYGMSSA-N 2 0 365.478 0.579 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4nccn4c3)CC[C@@H]2C1 ZINC001143021038 1222857517 /nfs/dbraw/zinc/85/75/17/1222857517.db2.gz LLBQTGOYXHVYHS-QZTJIDSGSA-N 2 0 371.485 0.945 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000843263520 1222868179 /nfs/dbraw/zinc/86/81/79/1222868179.db2.gz XVWNUVJLTCNKKQ-UHFFFAOYSA-N 2 0 361.490 0.798 20 0 FCADRP COc1ccc(Cn2ccnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2=O)cc1 ZINC001149725898 1222887994 /nfs/dbraw/zinc/88/79/94/1222887994.db2.gz NGPJKBCOLAGAFQ-UHFFFAOYSA-N 2 0 372.429 0.375 20 0 FCADRP CCc1cc(NCc2nnn3c2C[NH2+]CCC3)nc(N2CCOCC2)[nH+]1 ZINC001155397597 1223035327 /nfs/dbraw/zinc/03/53/27/1223035327.db2.gz MCBNAOXDSZPFTB-UHFFFAOYSA-N 2 0 358.450 0.573 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001157322926 1223073653 /nfs/dbraw/zinc/07/36/53/1223073653.db2.gz DUVWUTMQYPWTNZ-RDJZCZTQSA-N 2 0 374.485 0.429 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1)C(=O)N1CCCC1 ZINC001157371065 1223075582 /nfs/dbraw/zinc/07/55/82/1223075582.db2.gz NRFMAYPDCXGZMB-OALUTQOASA-N 2 0 372.513 0.965 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC1 ZINC001157448920 1223076702 /nfs/dbraw/zinc/07/67/02/1223076702.db2.gz OVHVEUJHYKEGKW-CYBMUJFWSA-N 2 0 371.478 0.709 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1 ZINC001157721465 1223080968 /nfs/dbraw/zinc/08/09/68/1223080968.db2.gz YAJPZUHQICZTQI-GJYPPUQNSA-N 2 0 372.469 0.954 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721521 1223081278 /nfs/dbraw/zinc/08/12/78/1223081278.db2.gz ZAPJBVKYJWEFTI-QZTJIDSGSA-N 2 0 358.486 0.155 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001157810761 1223082451 /nfs/dbraw/zinc/08/24/51/1223082451.db2.gz UOGYFDUXUQCCQS-PVUWLOKVSA-N 2 0 357.458 0.350 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)CC1 ZINC001157842804 1223082878 /nfs/dbraw/zinc/08/28/78/1223082878.db2.gz YJLAWBQCVJCSSO-UHFFFAOYSA-N 3 0 373.549 0.868 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)COC1(C)C ZINC001157971441 1223085927 /nfs/dbraw/zinc/08/59/27/1223085927.db2.gz YERKPBIVSSRMKN-IMJJTQAJSA-N 2 0 360.458 0.470 20 0 FCADRP O=C(c1ccccc1C1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120428 1223089354 /nfs/dbraw/zinc/08/93/54/1223089354.db2.gz PLTQSLJBKFOVHF-OAQYLSRUSA-N 2 0 368.481 0.705 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@H]1c1ccccc1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118809 1223089765 /nfs/dbraw/zinc/08/97/65/1223089765.db2.gz DMWQFCNIDONJBF-GUXCAODWSA-N 2 0 354.454 0.275 20 0 FCADRP O=C(N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001158121874 1223089772 /nfs/dbraw/zinc/08/97/72/1223089772.db2.gz XVBSRBVONACDPE-FQEVSTJZSA-N 2 0 360.502 0.485 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001158256384 1223091844 /nfs/dbraw/zinc/09/18/44/1223091844.db2.gz IEXDHRVWTCCTEE-OAGGEKHMSA-N 2 0 359.474 0.528 20 0 FCADRP O=C(c1csc([C@@H]2CCC[NH2+]2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276914 1223093374 /nfs/dbraw/zinc/09/33/74/1223093374.db2.gz GPZKGSZQPNQQPS-LBPRGKRZSA-N 2 0 373.486 0.894 20 0 FCADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158334800 1223094836 /nfs/dbraw/zinc/09/48/36/1223094836.db2.gz HWCLLOTVMDLDAT-FUHWJXTLSA-N 2 0 364.453 0.598 20 0 FCADRP Cc1ccc(CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001158380691 1223096373 /nfs/dbraw/zinc/09/63/73/1223096373.db2.gz ULJJHIBBCZLFCF-NVXWUHKLSA-N 2 0 364.490 0.983 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2Cc2ccccc2)CC[N@@H+]1C ZINC001158380644 1223096467 /nfs/dbraw/zinc/09/64/67/1223096467.db2.gz SKMWPHPFWFVINZ-NVXWUHKLSA-N 2 0 371.489 0.658 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158411580 1223096592 /nfs/dbraw/zinc/09/65/92/1223096592.db2.gz HCCPBBMAPDVABV-IXDOHACOSA-N 2 0 370.538 0.744 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158466796 1223098994 /nfs/dbraw/zinc/09/89/94/1223098994.db2.gz AVGKBWYSUSYHKJ-KPARLWCHSA-N 2 0 361.486 0.623 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)CC1 ZINC001158514411 1223100791 /nfs/dbraw/zinc/10/07/91/1223100791.db2.gz XDQNTXAWSNPUNG-KRWDZBQOSA-N 3 0 368.522 0.709 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC001158498312 1223101020 /nfs/dbraw/zinc/10/10/20/1223101020.db2.gz OEANFZGCFXHECA-QSPRXWTASA-N 2 0 361.442 0.317 20 0 FCADRP O=C([C@H](c1ccco1)N1CCC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533284 1223101726 /nfs/dbraw/zinc/10/17/26/1223101726.db2.gz JRAQPTBETBHIPL-ZTRFORPCSA-N 2 0 374.485 0.595 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546806 1223102397 /nfs/dbraw/zinc/10/23/97/1223102397.db2.gz MJABKRYBDSBFGZ-QCUYGVNKSA-N 2 0 367.490 0.805 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@H]2CF)CC1 ZINC001158566270 1223102454 /nfs/dbraw/zinc/10/24/54/1223102454.db2.gz AMUCFMHODBSLNH-MGPQQGTHSA-N 2 0 362.453 0.065 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158644168 1223104445 /nfs/dbraw/zinc/10/44/45/1223104445.db2.gz ZLHJELYLFBVCNZ-HNAYVOBHSA-N 2 0 359.474 0.741 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158671186 1223104894 /nfs/dbraw/zinc/10/48/94/1223104894.db2.gz DUGGKROPMQBCEJ-WNRNVDISSA-N 2 0 372.469 0.166 20 0 FCADRP CC(C)N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759214 1223107366 /nfs/dbraw/zinc/10/73/66/1223107366.db2.gz LIPXMSPQEFOPDJ-KRWDZBQOSA-N 3 0 372.517 0.780 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158905424 1223111908 /nfs/dbraw/zinc/11/19/08/1223111908.db2.gz XBIFWVIKABKSTA-LBTNJELSSA-N 2 0 364.421 0.453 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([C@H](N)C[NH3+])cc1)CC2 ZINC001158890921 1223112125 /nfs/dbraw/zinc/11/21/25/1223112125.db2.gz QJGSVWKHSUSJEO-QGZVFWFLSA-N 2 0 373.501 0.462 20 0 FCADRP O=C(N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159136596 1223118721 /nfs/dbraw/zinc/11/87/21/1223118721.db2.gz ZMSKEABVORZQQX-AJYBTWMASA-N 3 0 355.486 0.456 20 0 FCADRP O=C(C1CC[NH2+]CC1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159157412 1223119100 /nfs/dbraw/zinc/11/91/00/1223119100.db2.gz GBJRLDIHVHNGNA-QYZOEREBSA-N 2 0 372.517 0.979 20 0 FCADRP C[C@@]1(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC[NH2+]C1 ZINC001159167157 1223119738 /nfs/dbraw/zinc/11/97/38/1223119738.db2.gz VKZNUTDPZXFTQB-DOADOZAASA-N 2 0 372.517 0.979 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159191620 1223120075 /nfs/dbraw/zinc/12/00/75/1223120075.db2.gz IYCVQRPAZDMBRO-WMZOPIPTSA-N 2 0 363.506 0.985 20 0 FCADRP Cc1cccc(N(C(=O)CN2CC[NH2+]CC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338856 1223124631 /nfs/dbraw/zinc/12/46/31/1223124631.db2.gz IVCOGWDCMDHAIF-AZUAARDMSA-N 2 0 358.486 0.754 20 0 FCADRP Cc1cccc(N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339267 1223124745 /nfs/dbraw/zinc/12/47/45/1223124745.db2.gz NDOPAUHRNTYDAN-OFCAXSSNSA-N 2 0 370.497 0.801 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCCC[NH2+]1)CCC2 ZINC001159481749 1223127864 /nfs/dbraw/zinc/12/78/64/1223127864.db2.gz UXLXTTZPJGEMBT-INIZCTEOSA-N 2 0 361.490 0.958 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1 ZINC001159534048 1223129299 /nfs/dbraw/zinc/12/92/99/1223129299.db2.gz SKOUTGKYVJWLIN-BRWVUGGUSA-N 2 0 366.506 0.191 20 0 FCADRP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159550149 1223129965 /nfs/dbraw/zinc/12/99/65/1223129965.db2.gz WUKRRZLXDALCHC-FOIQADDNSA-N 3 0 372.517 0.457 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559955 1223130009 /nfs/dbraw/zinc/13/00/09/1223130009.db2.gz GCHRUNGVPXOFFB-INIZCTEOSA-N 2 0 374.489 0.207 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)[C@H]2C ZINC001159632816 1223131250 /nfs/dbraw/zinc/13/12/50/1223131250.db2.gz AIRXYZKAGDLINJ-NXNVCVFFSA-N 2 0 360.506 0.576 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665245 1223133079 /nfs/dbraw/zinc/13/30/79/1223133079.db2.gz IGWYPTFIZJUDFS-KURKYZTESA-N 3 0 361.490 0.340 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677533 1223133584 /nfs/dbraw/zinc/13/35/84/1223133584.db2.gz LJQUMLJFAUPCCG-INIZCTEOSA-N 2 0 371.485 0.088 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159697377 1223134504 /nfs/dbraw/zinc/13/45/04/1223134504.db2.gz NGBCXWNFKVTEDC-LTIDMASMSA-N 2 0 372.469 0.275 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CCC[C@H]4[NH3+])C3)O2)CC1 ZINC001159757224 1223135515 /nfs/dbraw/zinc/13/55/15/1223135515.db2.gz HUULWSYWYOQNQN-SOAMZJECSA-N 2 0 364.534 0.901 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856314 1223138283 /nfs/dbraw/zinc/13/82/83/1223138283.db2.gz SWJRGHKOAJHQEU-JQHSSLGASA-N 2 0 373.432 0.783 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159929959 1223140122 /nfs/dbraw/zinc/14/01/22/1223140122.db2.gz MCNURIWVUKWIAB-RCDNUKIMSA-N 2 0 362.474 0.946 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054118 1223143464 /nfs/dbraw/zinc/14/34/64/1223143464.db2.gz XKEIOOMCYKMJDS-DHBZOUTCSA-N 2 0 357.458 0.495 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086297 1223144814 /nfs/dbraw/zinc/14/48/14/1223144814.db2.gz VXYOPDYEKAYOHB-QKLQHJQFSA-N 2 0 373.501 0.783 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]2[NH2+]CC[C@@H]2O)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160170852 1223147417 /nfs/dbraw/zinc/14/74/17/1223147417.db2.gz CSLJOUWUMNQMBD-ROUUACIJSA-N 2 0 367.453 0.861 20 0 FCADRP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001160219191 1223150066 /nfs/dbraw/zinc/15/00/66/1223150066.db2.gz VMVIPMVEMKRPHH-NXOAAHMSSA-N 2 0 359.474 0.621 20 0 FCADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCC2 ZINC001160323656 1223155107 /nfs/dbraw/zinc/15/51/07/1223155107.db2.gz NIRJIZAPJDQFPM-HNNXBMFYSA-N 2 0 364.494 0.311 20 0 FCADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160381819 1223156395 /nfs/dbraw/zinc/15/63/95/1223156395.db2.gz DUEPJWSEEOPTJB-KRWDZBQOSA-N 2 0 363.510 0.178 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423161 1223158957 /nfs/dbraw/zinc/15/89/57/1223158957.db2.gz KQLQSLNTENZJER-NXWXRZEISA-N 2 0 357.502 0.702 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423155 1223159244 /nfs/dbraw/zinc/15/92/44/1223159244.db2.gz KQLQSLNTENZJER-DSLXNQLJSA-N 2 0 357.502 0.702 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cccnc1)Cc1ccccn1 ZINC001160448328 1223160100 /nfs/dbraw/zinc/16/01/00/1223160100.db2.gz DPKIAAXHISZEAX-LJQANCHMSA-N 2 0 368.485 0.756 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160463892 1223160514 /nfs/dbraw/zinc/16/05/14/1223160514.db2.gz PRUQRCZGLFLQAC-HOTGVXAUSA-N 2 0 368.522 0.722 20 0 FCADRP C[C@@H]1C(=O)NCCN1C(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160450314 1223160568 /nfs/dbraw/zinc/16/05/68/1223160568.db2.gz CZXJWTUTVLYAGS-HGHGUNKESA-N 2 0 370.497 0.835 20 0 FCADRP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001160485009 1223162636 /nfs/dbraw/zinc/16/26/36/1223162636.db2.gz MZYFVVDJLHTPRT-QGZVFWFLSA-N 2 0 361.494 0.848 20 0 FCADRP O=C(c1c[nH]c2ccccc21)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160536784 1223164082 /nfs/dbraw/zinc/16/40/82/1223164082.db2.gz ABKPZZIGMSOGOA-INIZCTEOSA-N 2 0 367.453 0.261 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001160537212 1223164120 /nfs/dbraw/zinc/16/41/20/1223164120.db2.gz IPTXEULQIRPAOM-SFHVURJKSA-N 2 0 369.469 0.779 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160577658 1223165338 /nfs/dbraw/zinc/16/53/38/1223165338.db2.gz PICWVQMLYDOHKO-HOTGVXAUSA-N 3 0 367.538 0.376 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2cc3ccccc3o2)N2CC[C@H]([NH3+])C2)CCO1 ZINC001160643721 1223167541 /nfs/dbraw/zinc/16/75/41/1223167541.db2.gz MZJDZIULRXYFOO-RLFYNMQTSA-N 2 0 358.442 0.693 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001160705177 1223169184 /nfs/dbraw/zinc/16/91/84/1223169184.db2.gz UFBYYGUEPFOZGC-FZKCQIBNSA-N 2 0 366.506 0.140 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160710516 1223169200 /nfs/dbraw/zinc/16/92/00/1223169200.db2.gz OJHJNPQAUYHFKP-LJQANCHMSA-N 3 0 354.498 0.845 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3ccc([C@@H](N)C[NH3+])cc3)C[C@H]1C[NH2+]CC2 ZINC001160819538 1223175812 /nfs/dbraw/zinc/17/58/12/1223175812.db2.gz RNXHNJMLONFDHV-JTDSTZFVSA-N 2 0 360.458 0.260 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001160835290 1223176578 /nfs/dbraw/zinc/17/65/78/1223176578.db2.gz SJVQGCJKEYSWAV-GOSISDBHSA-N 2 0 368.485 0.507 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880286 1223178665 /nfs/dbraw/zinc/17/86/65/1223178665.db2.gz XBMSQLYVMNNMLA-OAHLLOKOSA-N 2 0 370.453 0.944 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160937133 1223181269 /nfs/dbraw/zinc/18/12/69/1223181269.db2.gz UBTGOFXGXXWUIM-KRWDZBQOSA-N 2 0 361.490 0.862 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)c2ccco2)CC1 ZINC001161000899 1223183139 /nfs/dbraw/zinc/18/31/39/1223183139.db2.gz VXWQQLBKCLHKTI-IAGOWNOFSA-N 2 0 362.474 0.459 20 0 FCADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161009517 1223183261 /nfs/dbraw/zinc/18/32/61/1223183261.db2.gz WKKDYRBWRGIAJH-IMFGXOCKSA-N 2 0 370.497 0.428 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010083 1223183310 /nfs/dbraw/zinc/18/33/10/1223183310.db2.gz GJJZYEOHVKRZHF-MRXNPFEDSA-N 2 0 370.453 0.944 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)C1(C)CC[NH2+]CC1 ZINC001161068949 1223184453 /nfs/dbraw/zinc/18/44/53/1223184453.db2.gz YSEADUNSMSBJOY-HNNXBMFYSA-N 2 0 361.490 0.910 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2cc(-c3ccccc3)nc2C1 ZINC001161090594 1223185712 /nfs/dbraw/zinc/18/57/12/1223185712.db2.gz RHUJWCDHRIRLJJ-KRWDZBQOSA-N 2 0 368.485 0.643 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161091958 1223185758 /nfs/dbraw/zinc/18/57/58/1223185758.db2.gz VJEAPMRJAYEHIS-UHFFFAOYSA-N 2 0 354.458 0.620 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152323 1223188055 /nfs/dbraw/zinc/18/80/55/1223188055.db2.gz GRMAEMJPSSYMJP-UHFFFAOYSA-N 2 0 372.395 0.486 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001161165485 1223188165 /nfs/dbraw/zinc/18/81/65/1223188165.db2.gz OHWQIPOHWUSWMC-SFHVURJKSA-N 2 0 356.474 0.689 20 0 FCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196411 1223188329 /nfs/dbraw/zinc/18/83/29/1223188329.db2.gz GONVTONSEJKIMV-ICSRJNTNSA-N 2 0 364.534 0.537 20 0 FCADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196413 1223188785 /nfs/dbraw/zinc/18/87/85/1223188785.db2.gz GONVTONSEJKIMV-UYAOXDASSA-N 2 0 364.534 0.537 20 0 FCADRP O=C([C@@H]1CC2(CC2)C[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198348 1223189338 /nfs/dbraw/zinc/18/93/38/1223189338.db2.gz PZJFPAFSZKAZSP-SFHVURJKSA-N 2 0 364.534 0.679 20 0 FCADRP O=C(C=C1CC[NH2+]CC1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198512 1223189393 /nfs/dbraw/zinc/18/93/93/1223189393.db2.gz SSYFXKZKJBSROT-UHFFFAOYSA-N 2 0 364.534 0.847 20 0 FCADRP C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC001161232131 1223190973 /nfs/dbraw/zinc/19/09/73/1223190973.db2.gz YJADVUAZHJZNOX-ONIAQPFYSA-N 2 0 358.486 0.756 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C2CC[NH2+]CC2)n1 ZINC001161309230 1223195148 /nfs/dbraw/zinc/19/51/48/1223195148.db2.gz NKMVNCRDKPGZGL-LBTNJELSSA-N 2 0 360.462 0.100 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322355 1223195982 /nfs/dbraw/zinc/19/59/82/1223195982.db2.gz ZUEHJKHTJXSTEC-BQFCYCMXSA-N 2 0 368.522 0.898 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377870 1223197308 /nfs/dbraw/zinc/19/73/08/1223197308.db2.gz IZPXHXAKFJWQEX-OALUTQOASA-N 2 0 360.502 0.815 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380791 1223198057 /nfs/dbraw/zinc/19/80/57/1223198057.db2.gz VNRYHWDNAKWISX-SJORKVTESA-N 2 0 366.506 0.271 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414430 1223198297 /nfs/dbraw/zinc/19/82/97/1223198297.db2.gz WUDRHHCIAPGBNC-UOQGXUADSA-N 2 0 369.469 0.350 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161413601 1223198459 /nfs/dbraw/zinc/19/84/59/1223198459.db2.gz QPGBKEMKSARLEN-ZFVVBOAOSA-N 2 0 371.437 0.954 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)C1CC[NH2+]CC1 ZINC001161458251 1223199612 /nfs/dbraw/zinc/19/96/12/1223199612.db2.gz ZUXDHVGNDSPXIA-IBGZPJMESA-N 2 0 356.470 0.791 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]([NH3+])c1ccc(OC)nc1)CC2 ZINC001161480559 1223200793 /nfs/dbraw/zinc/20/07/93/1223200793.db2.gz UVLVWJFILCYVHV-IYOUNJFTSA-N 2 0 362.430 0.234 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc3ccc(N4CC[NH2+]CC4)n3c2)CC12COC2 ZINC001161506881 1223202507 /nfs/dbraw/zinc/20/25/07/1223202507.db2.gz PPAPCPBQYHGAOZ-MRXNPFEDSA-N 2 0 355.442 0.149 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CCC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493067 1223202765 /nfs/dbraw/zinc/20/27/65/1223202765.db2.gz BHEMYOSZOZZAKM-SAKMYQHLSA-N 2 0 371.485 0.817 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c2cc3ccccc3o2)C1 ZINC001161511425 1223203377 /nfs/dbraw/zinc/20/33/77/1223203377.db2.gz ZJFPJEOPLFGOFV-ZTFGCOKTSA-N 2 0 370.453 0.693 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]C2(CC2)C1)[C@@H]1CCC[NH2+]1 ZINC001161550896 1223204236 /nfs/dbraw/zinc/20/42/36/1223204236.db2.gz TYMPCOUQTPJIIT-IRXDYDNUSA-N 2 0 356.470 0.430 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001161667951 1223206363 /nfs/dbraw/zinc/20/63/63/1223206363.db2.gz TTXFFUDRDVKSKY-WKILWMFISA-N 2 0 360.506 0.892 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917434 1223221681 /nfs/dbraw/zinc/22/16/81/1223221681.db2.gz OUWYUGFISGDUBA-AEGPPILISA-N 2 0 366.462 0.325 20 0 FCADRP [NH3+]C[C@H](CO)c1ccc(Nc2ncccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC001163054023 1223224984 /nfs/dbraw/zinc/22/49/84/1223224984.db2.gz VRRAQBGBIUNSDF-OAHLLOKOSA-N 2 0 355.442 0.905 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163070075 1223225682 /nfs/dbraw/zinc/22/56/82/1223225682.db2.gz UDHMCYJMEXVXLG-OWCLPIDISA-N 2 0 360.458 0.656 20 0 FCADRP NC1=CC=C(C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC001163133237 1223227116 /nfs/dbraw/zinc/22/71/16/1223227116.db2.gz FJKWHNZTGWRZFX-UHFFFAOYSA-N 2 0 368.485 0.673 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163162839 1223227717 /nfs/dbraw/zinc/22/77/17/1223227717.db2.gz FITXFBQZKGUZKT-XQZMSQOBSA-N 2 0 374.485 0.902 20 0 FCADRP [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001163253015 1223228276 /nfs/dbraw/zinc/22/82/76/1223228276.db2.gz JZYLDBGEVPNABA-DYIBVVGTSA-N 2 0 357.458 0.676 20 0 FCADRP [NH3+]C1CCN(c2ccnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)CC1 ZINC001163652945 1223233450 /nfs/dbraw/zinc/23/34/50/1223233450.db2.gz BDUSKCDIJPNRCS-OAHLLOKOSA-N 2 0 360.462 0.232 20 0 FCADRP CCOC(=O)[C@@]12CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]1C[NH2+]CC2 ZINC001165172158 1223242927 /nfs/dbraw/zinc/24/29/27/1223242927.db2.gz HOMNPMQFGJDMKQ-JXFKEZNVSA-N 2 0 373.501 0.812 20 0 FCADRP CCOC(=O)c1nc2n(n1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001165399916 1223245834 /nfs/dbraw/zinc/24/58/34/1223245834.db2.gz XXPZTBLMDOUIOT-UHFFFAOYSA-N 2 0 371.445 0.798 20 0 FCADRP CC(C)[C@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001205188553 1223315599 /nfs/dbraw/zinc/31/55/99/1223315599.db2.gz KQIWJKVIIRZUKW-GUDVDZBRSA-N 2 0 363.502 0.639 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334175 1223320052 /nfs/dbraw/zinc/32/00/52/1223320052.db2.gz FIRBARNCBYEESP-UKRRQHHQSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205429319 1223323279 /nfs/dbraw/zinc/32/32/79/1223323279.db2.gz TVCGWMBZUHAHPI-XOKHGSTOSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205507661 1223329338 /nfs/dbraw/zinc/32/93/38/1223329338.db2.gz GXPMVSXHFOFIRY-HRCADAONSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(CC[NH+](C[C@H]3CCOC3)CC2)[C@H]2COC[C@H]21 ZINC001205510848 1223329360 /nfs/dbraw/zinc/32/93/60/1223329360.db2.gz JTYGXDQHTYPLEN-FGTMMUONSA-N 2 0 365.518 0.914 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205645258 1223334059 /nfs/dbraw/zinc/33/40/59/1223334059.db2.gz YDPGOVYPBWSJRM-DOTOQJQBSA-N 2 0 364.465 0.798 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F)C(N)=O ZINC001205645224 1223334163 /nfs/dbraw/zinc/33/41/63/1223334163.db2.gz XLZQBQARVUECNK-UKPHBRMFSA-N 2 0 364.465 0.925 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205674516 1223334432 /nfs/dbraw/zinc/33/44/32/1223334432.db2.gz WFDBWKOZNJLIFJ-FUHWJXTLSA-N 2 0 367.465 0.934 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205685647 1223334990 /nfs/dbraw/zinc/33/49/90/1223334990.db2.gz BIAFNIOYLXSXKJ-UKPHBRMFSA-N 2 0 364.465 0.924 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205685646 1223335273 /nfs/dbraw/zinc/33/52/73/1223335273.db2.gz BIAFNIOYLXSXKJ-JLJPHGGASA-N 2 0 364.465 0.924 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC1 ZINC001207397134 1223443450 /nfs/dbraw/zinc/44/34/50/1223443450.db2.gz DFZOAMPDIXJZIJ-QRVBRYPASA-N 2 0 365.518 0.914 20 0 FCADRP CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207396029 1223443605 /nfs/dbraw/zinc/44/36/05/1223443605.db2.gz ARBRKMFKTDRWFE-KRWDZBQOSA-N 2 0 363.506 0.762 20 0 FCADRP CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207435420 1223446743 /nfs/dbraw/zinc/44/67/43/1223446743.db2.gz OGBFQRZCYRWVJA-UHFFFAOYSA-N 2 0 362.478 0.220 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207482577 1223449174 /nfs/dbraw/zinc/44/91/74/1223449174.db2.gz ONJGCJDEUZTVDY-HXUWFJFHSA-N 2 0 366.550 0.879 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070590 1223513302 /nfs/dbraw/zinc/51/33/02/1223513302.db2.gz NOYNMIMTVATUHD-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001208109676 1223516253 /nfs/dbraw/zinc/51/62/53/1223516253.db2.gz NYGPFSGAEDOPOS-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CCN(CCN3CCOCC3)C2=O)CC1 ZINC001276608366 1223592137 /nfs/dbraw/zinc/59/21/37/1223592137.db2.gz CVNQTIIQAAZBLX-HXUWFJFHSA-N 2 0 366.550 0.975 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478556 1223623391 /nfs/dbraw/zinc/62/33/91/1223623391.db2.gz WAFKBTDLVZPDNE-QZTJIDSGSA-N 2 0 363.506 0.822 20 0 FCADRP Cc1noc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209829603 1223652270 /nfs/dbraw/zinc/65/22/70/1223652270.db2.gz HSOCFOHVDDBLJD-DVOMOZLQSA-N 2 0 365.478 0.986 20 0 FCADRP C[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433774 1223691319 /nfs/dbraw/zinc/69/13/19/1223691319.db2.gz WRNPJMYQIQJHRV-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054166 1223722993 /nfs/dbraw/zinc/72/29/93/1223722993.db2.gz IPYYYQFDHTUSBX-IIDMSEBBSA-N 2 0 363.506 0.633 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754118 1223844092 /nfs/dbraw/zinc/84/40/92/1223844092.db2.gz UJRWBFIDUOCJFH-BZUAXINKSA-N 2 0 364.494 0.313 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213857602 1223862328 /nfs/dbraw/zinc/86/23/28/1223862328.db2.gz QJQXVRMJCCABPM-GUDVDZBRSA-N 2 0 361.486 0.970 20 0 FCADRP CO[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871809 1223865587 /nfs/dbraw/zinc/86/55/87/1223865587.db2.gz IACMIXQCCBNLHT-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001214338553 1223902229 /nfs/dbraw/zinc/90/22/29/1223902229.db2.gz SPKYFOXVXISGBK-XYPHTWIQSA-N 2 0 360.458 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001214863439 1223949232 /nfs/dbraw/zinc/94/92/32/1223949232.db2.gz NRYIHCGUDVKIKO-HLLBOEOZSA-N 2 0 366.506 0.060 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057065 1223968944 /nfs/dbraw/zinc/96/89/44/1223968944.db2.gz VSODVVQQWVYUMI-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058579 1223969593 /nfs/dbraw/zinc/96/95/93/1223969593.db2.gz YMLHMFITQOFIFO-HZPDHXFCSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215122899 1223976056 /nfs/dbraw/zinc/97/60/56/1223976056.db2.gz YYRJRORMKAWPBQ-CXAGYDPISA-N 2 0 368.441 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215200407 1223981903 /nfs/dbraw/zinc/98/19/03/1223981903.db2.gz USCBFHFZOMOJAJ-GDBMZVCRSA-N 2 0 361.490 0.848 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215423240 1223998842 /nfs/dbraw/zinc/99/88/42/1223998842.db2.gz CTYXAZBMSKZBME-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](CC)CC ZINC001215516725 1224003565 /nfs/dbraw/zinc/00/35/65/1224003565.db2.gz SEIAXYXMYABJGX-BZUAXINKSA-N 2 0 366.506 0.692 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1)[NH+](CC)CC ZINC001215519052 1224003803 /nfs/dbraw/zinc/00/38/03/1224003803.db2.gz WDBBQTDJBIPSCM-KBAYOESNSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)C1 ZINC001215544528 1224005580 /nfs/dbraw/zinc/00/55/80/1224005580.db2.gz ZBKIBBFUAKQFKI-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215557727 1224005698 /nfs/dbraw/zinc/00/56/98/1224005698.db2.gz AHMNTDYIBSRDPE-SJLPKXTDSA-N 2 0 360.502 0.686 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001215567998 1224006658 /nfs/dbraw/zinc/00/66/58/1224006658.db2.gz JTYOPSCDLMNDEV-HUUCEWRRSA-N 2 0 366.506 0.550 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216002504 1224029619 /nfs/dbraw/zinc/02/96/19/1224029619.db2.gz SCMGKOKAMQLLSU-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC001216401557 1224048585 /nfs/dbraw/zinc/04/85/85/1224048585.db2.gz LVFPCPNQCGJHND-BHIYHBOVSA-N 2 0 363.502 0.605 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216413922 1224049473 /nfs/dbraw/zinc/04/94/73/1224049473.db2.gz XMALYSRPCKYCME-CZUORRHYSA-N 2 0 359.474 0.724 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216511170 1224053380 /nfs/dbraw/zinc/05/33/80/1224053380.db2.gz KXMPNCRGBKMETF-ZIAGYGMSSA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC001216757570 1224068808 /nfs/dbraw/zinc/06/88/08/1224068808.db2.gz CXSRCFYLWHGIEG-SOLBZPMBSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216754536 1224069044 /nfs/dbraw/zinc/06/90/44/1224069044.db2.gz ZTZKXIRQFBDSIF-DJIMGWMZSA-N 2 0 359.474 0.086 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216844823 1224078451 /nfs/dbraw/zinc/07/84/51/1224078451.db2.gz KPENJXMXOVHJEK-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216854077 1224078911 /nfs/dbraw/zinc/07/89/11/1224078911.db2.gz SEKOKVAZIAVJMJ-QLFBSQMISA-N 2 0 369.510 0.386 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853400 1224079126 /nfs/dbraw/zinc/07/91/26/1224079126.db2.gz ABLKGXNRAFQMKQ-IAGOWNOFSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC000823783884 1245320961 /nfs/dbraw/zinc/32/09/61/1245320961.db2.gz DBAGCVWDTGBOGG-ILZDJORESA-N 2 0 360.502 0.374 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891492183 1245452221 /nfs/dbraw/zinc/45/22/21/1245452221.db2.gz FYHMMFKVHPLGIJ-KRWDZBQOSA-N 2 0 368.522 0.945 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891511455 1245452387 /nfs/dbraw/zinc/45/23/87/1245452387.db2.gz CKOHSXQDJXDQPB-HZPDHXFCSA-N 2 0 361.494 0.510 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH2+]CCC12CCC2 ZINC000891567136 1245455224 /nfs/dbraw/zinc/45/52/24/1245455224.db2.gz VWDHZNKGCMKZPQ-KRWDZBQOSA-N 2 0 365.522 0.321 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575908 1245455432 /nfs/dbraw/zinc/45/54/32/1245455432.db2.gz IUOUNTOQUDHOJT-JONQDZQNSA-N 2 0 363.462 0.047 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000897419896 1245472025 /nfs/dbraw/zinc/47/20/25/1245472025.db2.gz HVOUSRAPOKWJFY-INIZCTEOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504231 1245501543 /nfs/dbraw/zinc/50/15/43/1245501543.db2.gz VPALWRPWDFEODL-MRXNPFEDSA-N 2 0 359.474 0.502 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000917085096 1245548716 /nfs/dbraw/zinc/54/87/16/1245548716.db2.gz XBDWSIFVCPTJOW-IRXDYDNUSA-N 2 0 357.502 0.918 20 0 FCADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324674 1245708851 /nfs/dbraw/zinc/70/88/51/1245708851.db2.gz YTCVJWUJUQELTO-GOSISDBHSA-N 2 0 364.534 0.631 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000943385400 1247315757 /nfs/dbraw/zinc/31/57/57/1247315757.db2.gz SVCDNEFCEJUHBA-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396020 1247548143 /nfs/dbraw/zinc/54/81/43/1247548143.db2.gz DZYJPZGQEFAMPJ-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001327810087 1265431743 /nfs/dbraw/zinc/43/17/43/1265431743.db2.gz AXRUIQLEKYWHJI-SFHVURJKSA-N 2 0 356.470 0.815 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001327811321 1265432470 /nfs/dbraw/zinc/43/24/70/1265432470.db2.gz DGDKFBCMWGMPPD-KRWDZBQOSA-N 2 0 360.458 0.714 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595038 1247907400 /nfs/dbraw/zinc/90/74/00/1247907400.db2.gz GFFIYMJZWZJNAJ-UYTYNIKBSA-N 2 0 362.518 0.776 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000946770330 1248003166 /nfs/dbraw/zinc/00/31/66/1248003166.db2.gz LOWQDRVDWVQQLU-DJIMGWMZSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000946778117 1248011700 /nfs/dbraw/zinc/01/17/00/1248011700.db2.gz JKFQELIWEFRDLL-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000946778913 1248016038 /nfs/dbraw/zinc/01/60/38/1248016038.db2.gz YRUDTGQBMLBDBJ-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000946778912 1248016104 /nfs/dbraw/zinc/01/61/04/1248016104.db2.gz YRUDTGQBMLBDBJ-ARFHVFGLSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001328132994 1265489648 /nfs/dbraw/zinc/48/96/48/1265489648.db2.gz ZWLMCKFAKWIYSZ-KRWDZBQOSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994333029 1250381870 /nfs/dbraw/zinc/38/18/70/1250381870.db2.gz RMYOVOYYYGHDJI-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001328188877 1265499157 /nfs/dbraw/zinc/49/91/57/1265499157.db2.gz ADOCLKLSQDYCFY-OAHLLOKOSA-N 2 0 363.510 0.206 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)c2)CC1 ZINC001328581781 1265582522 /nfs/dbraw/zinc/58/25/22/1265582522.db2.gz WFUYVEQYCRARBB-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC1 ZINC000997880502 1251734005 /nfs/dbraw/zinc/73/40/05/1251734005.db2.gz IHSBTOVOKJTZAM-SQNIBIBYSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998566584 1251913577 /nfs/dbraw/zinc/91/35/77/1251913577.db2.gz LHMYJDLZLKXTBM-IKGGRYGDSA-N 2 0 360.502 0.959 20 0 FCADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)[NH+](C)C ZINC000998654556 1251941867 /nfs/dbraw/zinc/94/18/67/1251941867.db2.gz LAIYJHOFPVKSGC-QZWWFDLISA-N 2 0 362.518 0.917 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001328808391 1265619301 /nfs/dbraw/zinc/61/93/01/1265619301.db2.gz SVVQIGSILJCJQY-INIZCTEOSA-N 2 0 366.506 0.109 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000999202817 1252069330 /nfs/dbraw/zinc/06/93/30/1252069330.db2.gz YFTJDTFMNJPXRB-HRCADAONSA-N 2 0 364.490 0.446 20 0 FCADRP CCn1ncnc1CN1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001001533136 1252282492 /nfs/dbraw/zinc/28/24/92/1252282492.db2.gz OWUGNAFHQRVCHT-GDBMZVCRSA-N 2 0 364.494 0.345 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001002248376 1252488950 /nfs/dbraw/zinc/48/89/50/1252488950.db2.gz PVLBBOQXJWDYLC-OLMNPRSZSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001002555291 1252598153 /nfs/dbraw/zinc/59/81/53/1252598153.db2.gz IJVWXLXMBQXBSE-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004365620 1253301829 /nfs/dbraw/zinc/30/18/29/1253301829.db2.gz HKTDDRGPKKRYAM-HZMVEIRTSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392384 1253312391 /nfs/dbraw/zinc/31/23/91/1253312391.db2.gz TXJBQABFHJYJRH-VQHPVUNQSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC001026496072 1253845921 /nfs/dbraw/zinc/84/59/21/1253845921.db2.gz IWPGQMJEGYUXBC-UWLZSVRSSA-N 2 0 361.494 0.865 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647926 1265798735 /nfs/dbraw/zinc/79/87/35/1265798735.db2.gz RPKVUCUMORTNDA-DOMZBBRYSA-N 2 0 358.442 0.408 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001033838262 1253968446 /nfs/dbraw/zinc/96/84/46/1253968446.db2.gz MOXIKFRFDNALMZ-YESZJQIVSA-N 2 0 365.522 0.665 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@@H]4CCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035187532 1254019347 /nfs/dbraw/zinc/01/93/47/1254019347.db2.gz ZMXZBCNNADMIIB-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061620782 1254192946 /nfs/dbraw/zinc/19/29/46/1254192946.db2.gz GZGQPXLVQYFFFH-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)n1 ZINC001329746076 1265827433 /nfs/dbraw/zinc/82/74/33/1265827433.db2.gz MYIMGQDSDVMJKC-KXBFYZLASA-N 2 0 372.473 0.021 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061828816 1254228187 /nfs/dbraw/zinc/22/81/87/1254228187.db2.gz DKSXXMRCOUUYIG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065207656 1254489985 /nfs/dbraw/zinc/48/99/85/1254489985.db2.gz UMFULHCFQDXQCE-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CCO1 ZINC001065212471 1254494134 /nfs/dbraw/zinc/49/41/34/1254494134.db2.gz NLSCDDVUYSUXPU-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001065411657 1254531371 /nfs/dbraw/zinc/53/13/71/1254531371.db2.gz YZSBZIVRAVQWPE-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975755 1255139952 /nfs/dbraw/zinc/13/99/52/1255139952.db2.gz ZUCQXUMHVHNQFX-BHIYHBOVSA-N 2 0 365.518 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174415 1255288020 /nfs/dbraw/zinc/28/80/20/1255288020.db2.gz KRGXWDDXCKVOCU-QXAKKESOSA-N 2 0 354.454 0.848 20 0 FCADRP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175809 1255290142 /nfs/dbraw/zinc/29/01/42/1255290142.db2.gz NRKLPDHDUMFTMG-QXAKKESOSA-N 2 0 361.486 0.795 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001078404348 1255408899 /nfs/dbraw/zinc/40/88/99/1255408899.db2.gz YVXLXCUMYDABBY-FGTMMUONSA-N 2 0 363.506 0.858 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079162666 1255464643 /nfs/dbraw/zinc/46/46/43/1255464643.db2.gz VQVNKUOMIBYKRJ-DLBZAZTESA-N 2 0 362.449 0.681 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079257874 1255490822 /nfs/dbraw/zinc/49/08/22/1255490822.db2.gz AXZGIAKTRBOXOV-BPQIPLTHSA-N 2 0 365.518 0.648 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806585 1255613878 /nfs/dbraw/zinc/61/38/78/1255613878.db2.gz NNKUDVBNZGXCAV-OAGGEKHMSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949098 1255676164 /nfs/dbraw/zinc/67/61/64/1255676164.db2.gz OXPPVNHLZFJSFZ-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001080878036 1256071949 /nfs/dbraw/zinc/07/19/49/1256071949.db2.gz XFSYSLPGGRBGSW-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080930260 1256101463 /nfs/dbraw/zinc/10/14/63/1256101463.db2.gz QCTKZKNTGPEPGN-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080934953 1256103262 /nfs/dbraw/zinc/10/32/62/1256103262.db2.gz HAGRRAFDBYAYLZ-UKPHBRMFSA-N 2 0 356.474 0.857 20 0 FCADRP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001080936359 1256103375 /nfs/dbraw/zinc/10/33/75/1256103375.db2.gz UYONRWTXTYAITO-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP O=C(N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001081215936 1256207414 /nfs/dbraw/zinc/20/74/14/1256207414.db2.gz XNKVKJWZGJOXGI-RCCFBDPRSA-N 2 0 368.481 0.555 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1)OC ZINC001081686074 1256334204 /nfs/dbraw/zinc/33/42/04/1256334204.db2.gz DTARNQQGLASMPS-USXIJHARSA-N 2 0 367.494 0.299 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092646 1256531356 /nfs/dbraw/zinc/53/13/56/1256531356.db2.gz JEBQWMQTTHVCAI-IAGOWNOFSA-N 2 0 362.474 0.043 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1)OC ZINC001082223370 1256596402 /nfs/dbraw/zinc/59/64/02/1256596402.db2.gz SDGBWLZWBFMCBX-BRWVUGGUSA-N 2 0 367.494 0.299 20 0 FCADRP CSC1(CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC001520968615 1266054431 /nfs/dbraw/zinc/05/44/31/1266054431.db2.gz AYXSJABDMOAWBG-HNNXBMFYSA-N 2 0 357.568 0.749 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328514 1256671323 /nfs/dbraw/zinc/67/13/23/1256671323.db2.gz XXUZKAKBJXFHRM-QZTJIDSGSA-N 2 0 359.470 0.590 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082507588 1256793627 /nfs/dbraw/zinc/79/36/27/1256793627.db2.gz WZEOPLYSALGBJE-OAGGEKHMSA-N 2 0 364.490 0.445 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCNC3=O)C2)ccc2c[nH+]cn21 ZINC001082609807 1256921165 /nfs/dbraw/zinc/92/11/65/1256921165.db2.gz HCAZMNYTHFKLAA-OAUYIBNBSA-N 2 0 355.442 0.971 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)ncn1 ZINC001082653430 1256958057 /nfs/dbraw/zinc/95/80/57/1256958057.db2.gz KJUOGPABPCCBIS-MTYXXWPBSA-N 2 0 371.485 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082663153 1256966262 /nfs/dbraw/zinc/96/62/62/1256966262.db2.gz AUNKSYUSUKAKMH-SUMDDJOVSA-N 2 0 362.518 0.920 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cc1=O ZINC001082720135 1257009479 /nfs/dbraw/zinc/00/94/79/1257009479.db2.gz HXOUTYRGDNVHIA-CZUORRHYSA-N 2 0 363.458 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082742427 1257024153 /nfs/dbraw/zinc/02/41/53/1257024153.db2.gz FJCMGWCACSANFF-CLCXKQKWSA-N 2 0 368.497 0.868 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001082798268 1257057305 /nfs/dbraw/zinc/05/73/05/1257057305.db2.gz KRHYUGDZNWWFDE-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082798115 1257057956 /nfs/dbraw/zinc/05/79/56/1257057956.db2.gz BEVNSIBWAIAVOM-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001082798425 1257058220 /nfs/dbraw/zinc/05/82/20/1257058220.db2.gz SVYWDBFATGMJHC-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082828854 1257085594 /nfs/dbraw/zinc/08/55/94/1257085594.db2.gz MOUIPRVPELZKBS-CRAIPNDOSA-N 2 0 363.506 0.510 20 0 FCADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923406 1257146449 /nfs/dbraw/zinc/14/64/49/1257146449.db2.gz IUHJSOISIFPMPQ-RVKKMQEKSA-N 2 0 363.506 0.633 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001083083873 1257283935 /nfs/dbraw/zinc/28/39/35/1257283935.db2.gz POZLXFINHJPZCR-CEXWTWQISA-N 2 0 363.502 0.809 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105991 1257321336 /nfs/dbraw/zinc/32/13/36/1257321336.db2.gz DUOJIALHLXTYRD-YESZJQIVSA-N 2 0 364.490 0.003 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001083148701 1257403564 /nfs/dbraw/zinc/40/35/64/1257403564.db2.gz BAGFBOGFYSMAFF-KZIZELGASA-N 2 0 361.486 0.561 20 0 FCADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654191 1257465014 /nfs/dbraw/zinc/46/50/14/1257465014.db2.gz AVANFNWAYHQMCJ-TUKJNDCMSA-N 2 0 371.481 0.520 20 0 FCADRP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083952934 1257740703 /nfs/dbraw/zinc/74/07/03/1257740703.db2.gz APGIFZNEAGULKT-UHOSZYNNSA-N 2 0 361.486 0.836 20 0 FCADRP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083954760 1257744344 /nfs/dbraw/zinc/74/43/44/1257744344.db2.gz HJQRZVZERMKUFB-UHOSZYNNSA-N 2 0 361.486 0.877 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083957790 1257747317 /nfs/dbraw/zinc/74/73/17/1257747317.db2.gz ORVNBPYPUMUFED-MSOLQXFVSA-N 2 0 359.470 0.495 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958851 1257749641 /nfs/dbraw/zinc/74/96/41/1257749641.db2.gz ZANPTXUZIPFOEH-MOPGFXCFSA-N 2 0 355.482 0.932 20 0 FCADRP COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053622 1257865194 /nfs/dbraw/zinc/86/51/94/1257865194.db2.gz DSOFUXMKCFZHCE-KSZLIROESA-N 2 0 361.486 0.741 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001331164747 1266161279 /nfs/dbraw/zinc/16/12/79/1266161279.db2.gz KBCMOOJRVLGGIK-XYJFISCASA-N 2 0 360.502 0.842 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1=O ZINC001084629131 1258209787 /nfs/dbraw/zinc/20/97/87/1258209787.db2.gz GXXFTGUVHRLRRK-QZTJIDSGSA-N 2 0 358.486 0.760 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775933 1258318865 /nfs/dbraw/zinc/31/88/65/1258318865.db2.gz ZKSVGQXMFSDYMI-ARFHVFGLSA-N 2 0 362.474 0.010 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1)C1CC1 ZINC001084957929 1258469331 /nfs/dbraw/zinc/46/93/31/1258469331.db2.gz FCRBJQCDBMEQKR-AYBZRNKSSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093032 1258587196 /nfs/dbraw/zinc/58/71/96/1258587196.db2.gz BIOBOWKPWDSXLD-PMPSAXMXSA-N 2 0 362.474 0.010 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153584 1258665430 /nfs/dbraw/zinc/66/54/30/1258665430.db2.gz BECVPNMGFTXUHI-VYDXJSESSA-N 2 0 366.506 0.141 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001088157759 1258669744 /nfs/dbraw/zinc/66/97/44/1258669744.db2.gz FWRNEFUHCDCPBT-MSOLQXFVSA-N 2 0 364.534 0.975 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC001331389545 1266205294 /nfs/dbraw/zinc/20/52/94/1266205294.db2.gz YJBXMUARHNUASH-QGZVFWFLSA-N 2 0 358.446 0.812 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001088201688 1258724716 /nfs/dbraw/zinc/72/47/16/1258724716.db2.gz PKDHPVLZZMVSBH-SQNIBIBYSA-N 2 0 361.490 0.120 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331395405 1266206738 /nfs/dbraw/zinc/20/67/38/1266206738.db2.gz DIQDSMIZNRKYRS-BZSNNMDCSA-N 2 0 367.538 0.600 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721267 1258819385 /nfs/dbraw/zinc/81/93/85/1258819385.db2.gz KCBHMFHRCKCKFV-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782707 1258843770 /nfs/dbraw/zinc/84/37/70/1258843770.db2.gz WNTPPMNPSXJTGZ-UNEWFSDZSA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001092817279 1258854277 /nfs/dbraw/zinc/85/42/77/1258854277.db2.gz RWLWGJFJYFBPBL-CKEIUWERSA-N 2 0 368.441 0.454 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331432597 1266215613 /nfs/dbraw/zinc/21/56/13/1266215613.db2.gz SCQFLIXMNQCMLJ-MSOLQXFVSA-N 2 0 367.538 0.553 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331432601 1266215698 /nfs/dbraw/zinc/21/56/98/1266215698.db2.gz SCQFLIXMNQCMLJ-ROUUACIJSA-N 2 0 367.538 0.553 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106593439 1258927405 /nfs/dbraw/zinc/92/74/05/1258927405.db2.gz FKHHDWQOQLVEJU-HUUCEWRRSA-N 2 0 364.490 0.161 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633167 1258930960 /nfs/dbraw/zinc/93/09/60/1258930960.db2.gz BLCKKSHNJHOEPM-KBAYOESNSA-N 2 0 370.538 0.409 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106667139 1258937005 /nfs/dbraw/zinc/93/70/05/1258937005.db2.gz KHFQGAAQSVZZEZ-CRAIPNDOSA-N 2 0 360.502 0.834 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665237 1258937495 /nfs/dbraw/zinc/93/74/95/1258937495.db2.gz NCEZYRQNOBMOOB-IXDOHACOSA-N 2 0 367.538 0.862 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666709 1258937554 /nfs/dbraw/zinc/93/75/54/1258937554.db2.gz RFHJUXSAOJPDBR-GVDBMIGSSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001106672384 1258937966 /nfs/dbraw/zinc/93/79/66/1258937966.db2.gz SJNWCLRIXQMZKE-JFIYKMOQSA-N 2 0 360.502 0.719 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106672155 1258938092 /nfs/dbraw/zinc/93/80/92/1258938092.db2.gz HRLROJLFPKLYLT-HZSPNIEDSA-N 2 0 369.510 0.232 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001106672514 1258938298 /nfs/dbraw/zinc/93/82/98/1258938298.db2.gz AJTSYQQGJNGGKS-RBSFLKMASA-N 2 0 365.526 0.933 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106729578 1258949493 /nfs/dbraw/zinc/94/94/93/1258949493.db2.gz STIKEXXXXYVZTM-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752239 1258952902 /nfs/dbraw/zinc/95/29/02/1258952902.db2.gz RWQJTDZCTCJPCA-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106779511 1258961361 /nfs/dbraw/zinc/96/13/61/1258961361.db2.gz PTEQKJHWCPKGDN-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779553 1258961451 /nfs/dbraw/zinc/96/14/51/1258961451.db2.gz RLPNJLZLTNOZEP-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1 ZINC001106840553 1258974880 /nfs/dbraw/zinc/97/48/80/1258974880.db2.gz SROCJJVUCKDGIE-HUUCEWRRSA-N 2 0 367.494 0.784 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH2+]CCOCCO ZINC001106859945 1258980331 /nfs/dbraw/zinc/98/03/31/1258980331.db2.gz BAVGIKQFOVLRDC-VQIMIIECSA-N 2 0 367.534 0.801 20 0 FCADRP CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882050 1258987815 /nfs/dbraw/zinc/98/78/15/1258987815.db2.gz OPKQGQPLDDMAFB-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898534 1258992069 /nfs/dbraw/zinc/99/20/69/1258992069.db2.gz IMXSDVAAWXNHCQ-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106905144 1258993155 /nfs/dbraw/zinc/99/31/55/1258993155.db2.gz CADATUYJZKMREK-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106905395 1258993211 /nfs/dbraw/zinc/99/32/11/1258993211.db2.gz NMXALWCURWIMET-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106910935 1258994606 /nfs/dbraw/zinc/99/46/06/1258994606.db2.gz WERSCTRGNKNXKI-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001106910236 1258994941 /nfs/dbraw/zinc/99/49/41/1258994941.db2.gz SWRTVTMHPDNNMK-HUUCEWRRSA-N 2 0 364.494 0.334 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106983992 1259010619 /nfs/dbraw/zinc/01/06/19/1259010619.db2.gz SIBGGRRIARPRFA-HZPDHXFCSA-N 2 0 367.538 0.864 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001107030771 1259021148 /nfs/dbraw/zinc/02/11/48/1259021148.db2.gz WGCHXWZWWFODNW-OAGGEKHMSA-N 2 0 364.490 0.352 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001107038950 1259022639 /nfs/dbraw/zinc/02/26/39/1259022639.db2.gz IAUHTHRMGVAHFI-HUUCEWRRSA-N 2 0 367.494 0.783 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107609103 1259131946 /nfs/dbraw/zinc/13/19/46/1259131946.db2.gz CQNMIVJGEPGWDT-XAUMDUMWSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107633873 1259140010 /nfs/dbraw/zinc/14/00/10/1259140010.db2.gz FAQNRUSYWWYVHQ-VQIMIIECSA-N 2 0 363.506 0.468 20 0 FCADRP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571701 1259181467 /nfs/dbraw/zinc/18/14/67/1259181467.db2.gz YPYKKNVFXDTVOC-IKGGRYGDSA-N 2 0 368.522 0.483 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCOc2ccccc2)CC[N@@H+]1C ZINC001127643738 1259183247 /nfs/dbraw/zinc/18/32/47/1259183247.db2.gz JKUMRIDWHLOQFA-NVXWUHKLSA-N 2 0 362.474 0.228 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)CC[N@@H+]1C ZINC001128106673 1259193156 /nfs/dbraw/zinc/19/31/56/1259193156.db2.gz BTNSANZBGRPKJG-HYVNUMGLSA-N 2 0 361.490 0.199 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001129094064 1259313534 /nfs/dbraw/zinc/31/35/34/1259313534.db2.gz YEXDYHYNXKWMOT-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204800 1259343561 /nfs/dbraw/zinc/34/35/61/1259343561.db2.gz KEQSTPFPDNEJDM-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648374 1259385841 /nfs/dbraw/zinc/38/58/41/1259385841.db2.gz BOMSZIHZGHDGTF-HZMVEIRTSA-N 2 0 362.449 0.445 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648921 1259386338 /nfs/dbraw/zinc/38/63/38/1259386338.db2.gz HQOKEJSGMXTJDB-LZWOXQAQSA-N 2 0 361.421 0.052 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537638 1259416336 /nfs/dbraw/zinc/41/63/36/1259416336.db2.gz SGKKRINWDPYMQA-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001211707520 1259427111 /nfs/dbraw/zinc/42/71/11/1259427111.db2.gz XNTFPBFNKPGYOO-ZWKOTPCHSA-N 2 0 370.497 0.755 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295334 1259455022 /nfs/dbraw/zinc/45/50/22/1259455022.db2.gz IQSUWUVTLAPFBP-IAGOWNOFSA-N 2 0 367.494 0.300 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212353178 1259470787 /nfs/dbraw/zinc/47/07/87/1259470787.db2.gz LDFDBVQAISEKBS-BRWVUGGUSA-N 2 0 369.485 0.458 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418563 1259497470 /nfs/dbraw/zinc/49/74/70/1259497470.db2.gz JHXDDRLYGHDCRT-RCCFBDPRSA-N 2 0 369.506 0.482 20 0 FCADRP CCOc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1OC(C)=O ZINC001235869695 1259582222 /nfs/dbraw/zinc/58/22/22/1259582222.db2.gz CXXMZTSJMOXABF-UHFFFAOYSA-N 2 0 364.490 0.595 20 0 FCADRP COC(=O)c1ccc2c(CN3CC[NH2+]CCNCC[NH2+]CC3)c[nH]c2c1 ZINC001235869497 1259582504 /nfs/dbraw/zinc/58/25/04/1259582504.db2.gz BYJRQZWCVGXLDB-UHFFFAOYSA-N 2 0 359.474 0.539 20 0 FCADRP COC(=O)C[C@H]1C[NH2+]CCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235844639 1259582602 /nfs/dbraw/zinc/58/26/02/1259582602.db2.gz ADPQYBOGWWSARV-INIZCTEOSA-N 2 0 372.473 0.533 20 0 FCADRP CCOC(=O)c1ccc(CCCN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235871787 1259583828 /nfs/dbraw/zinc/58/38/28/1259583828.db2.gz XEQNRZFBRSOLNH-UHFFFAOYSA-N 2 0 362.518 0.880 20 0 FCADRP O=C(c1ccc(-c2nccc(N3CC[NH2+]CC3)n2)cc1)N1CC[NH2+]CC1 ZINC001240108360 1259625912 /nfs/dbraw/zinc/62/59/12/1259625912.db2.gz UWGNXXOREOUFAG-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3ncnc4c3C[NH2+]CC4)cc2)CC1 ZINC001242093513 1259633191 /nfs/dbraw/zinc/63/31/91/1259633191.db2.gz DLYLRSBWQZTJOJ-UHFFFAOYSA-N 2 0 352.442 0.682 20 0 FCADRP O[C@@]1(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981013 1259641940 /nfs/dbraw/zinc/64/19/40/1259641940.db2.gz PKFZBNLENLLTBG-FPOVZHCZSA-N 3 0 358.530 0.802 20 0 FCADRP COC(=O)c1ccc([C@@H]([NH3+])CNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246019357 1259644323 /nfs/dbraw/zinc/64/43/23/1259644323.db2.gz KFNYVVAETIXNSK-GBESFXJTSA-N 2 0 357.454 0.994 20 0 FCADRP [NH3+]CCCC[C@H](NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CCCC1 ZINC001246020863 1259644338 /nfs/dbraw/zinc/64/43/38/1259644338.db2.gz QLJWTQPVFCLXHQ-GBESFXJTSA-N 2 0 362.518 0.627 20 0 FCADRP CCCC[C@H](CC)COC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053264 1259645127 /nfs/dbraw/zinc/64/51/27/1259645127.db2.gz NLUXDGJMXGULPF-ROUUACIJSA-N 3 0 374.570 0.696 20 0 FCADRP CC(C)c1ccc(OC[C@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246058499 1259647154 /nfs/dbraw/zinc/64/71/54/1259647154.db2.gz WCIGRQAMVYZSFO-LJQANCHMSA-N 2 0 364.534 0.634 20 0 FCADRP COc1cccc(OC)c1C[NH+]1CCC(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246153501 1259647568 /nfs/dbraw/zinc/64/75/68/1259647568.db2.gz SDYJFJFKQHPGTR-QUCCMNQESA-N 2 0 374.485 0.836 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCCNC1 ZINC001246130047 1259648134 /nfs/dbraw/zinc/64/81/34/1259648134.db2.gz RJUDIMRHDKWBFK-KGLIPLIRSA-N 2 0 362.478 0.334 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@]4(C3)C[NH2+]CCOC4)C[C@H](C1)[NH2+]2 ZINC001246147305 1259648181 /nfs/dbraw/zinc/64/81/81/1259648181.db2.gz XOPQFYHVKARHLE-FNINWESVSA-N 3 0 367.490 0.043 20 0 FCADRP COc1cccc(OC)c1C[NH+]1CCC(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246153477 1259648766 /nfs/dbraw/zinc/64/87/66/1259648766.db2.gz SDYJFJFKQHPGTR-AZUAARDMSA-N 2 0 374.485 0.836 20 0 FCADRP O=c1ccc2c(n1CCN1CCOCC1)CC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246157462 1259649780 /nfs/dbraw/zinc/64/97/80/1259649780.db2.gz ORDMRELYSZOPIS-GOSISDBHSA-N 2 0 360.502 0.379 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246215883 1259650532 /nfs/dbraw/zinc/65/05/32/1259650532.db2.gz KQAQQHCHDYUAIA-SFHVURJKSA-N 3 0 373.538 0.523 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246218056 1259651295 /nfs/dbraw/zinc/65/12/95/1259651295.db2.gz ZECMJOAQERSSBJ-UHFFFAOYSA-N 3 0 373.538 0.523 20 0 FCADRP COc1ccc(C(=O)N2CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC2)cc1 ZINC001246407102 1259651809 /nfs/dbraw/zinc/65/18/09/1259651809.db2.gz WAMDPXMVRYJXOR-KRWDZBQOSA-N 2 0 362.474 0.872 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC2=O)cc1 ZINC001246419453 1259652723 /nfs/dbraw/zinc/65/27/23/1259652723.db2.gz VSPGJMUZCRSFBQ-WBVHZDCISA-N 2 0 362.474 0.759 20 0 FCADRP c1ccc(COCCOCCOCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246517712 1259654612 /nfs/dbraw/zinc/65/46/12/1259654612.db2.gz BEDAEDBROQLOBU-LJQANCHMSA-N 2 0 363.502 0.920 20 0 FCADRP c1cncc(N2CCC[C@@]3(C2)C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709145 1259666095 /nfs/dbraw/zinc/66/60/95/1259666095.db2.gz SDVYSRVBGUIOGA-FXAWDEMLSA-N 2 0 357.502 0.847 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335448857 1259667807 /nfs/dbraw/zinc/66/78/07/1259667807.db2.gz RBYXHUAYAKKKCY-KRWDZBQOSA-N 2 0 365.522 0.224 20 0 FCADRP c1cnn(C[C@@H]2CC[C@]3(COCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726764 1259671263 /nfs/dbraw/zinc/67/12/63/1259671263.db2.gz TZFZNDSWBGJADR-LNLFQRSKSA-N 2 0 361.490 0.227 20 0 FCADRP CC[C@H]1[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246733621 1259671976 /nfs/dbraw/zinc/67/19/76/1259671976.db2.gz LHUVMFJNKUOAQA-QKLQHJQFSA-N 2 0 364.534 0.962 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738838 1259674065 /nfs/dbraw/zinc/67/40/65/1259674065.db2.gz OPJDZGKJAZAOLN-YYAJDYIMSA-N 2 0 358.490 0.634 20 0 FCADRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744464 1259676348 /nfs/dbraw/zinc/67/63/48/1259676348.db2.gz MWKSYHJKNWEQSM-KRWDZBQOSA-N 3 0 358.534 0.821 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745171 1259676657 /nfs/dbraw/zinc/67/66/57/1259676657.db2.gz MQYPUTBDAMGKGK-TVKQPGBESA-N 2 0 372.517 0.976 20 0 FCADRP O=C([C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745361 1259678306 /nfs/dbraw/zinc/67/83/06/1259678306.db2.gz HBXCHCPYGRGWIS-IRXDYDNUSA-N 2 0 362.518 0.431 20 0 FCADRP CN(C)C(=O)[C@]12C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744805 1259678528 /nfs/dbraw/zinc/67/85/28/1259678528.db2.gz LTTNGVJLRJGOJO-GPMSIDNRSA-N 2 0 358.490 0.588 20 0 FCADRP O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766037 1259683482 /nfs/dbraw/zinc/68/34/82/1259683482.db2.gz OKCVTUGVPPAAOI-OXQOHEQNSA-N 2 0 374.485 0.681 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762562 1259685111 /nfs/dbraw/zinc/68/51/11/1259685111.db2.gz CRKOVUBSJOZCQY-VGAPYMQISA-N 2 0 361.490 0.627 20 0 FCADRP c1cnc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769751 1259686682 /nfs/dbraw/zinc/68/66/82/1259686682.db2.gz XZDLKLOCNPYQAD-IEBWSBKVSA-N 2 0 372.517 0.489 20 0 FCADRP c1cnc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769753 1259687654 /nfs/dbraw/zinc/68/76/54/1259687654.db2.gz XZDLKLOCNPYQAD-MJGOQNOKSA-N 2 0 372.517 0.489 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246773893 1259689251 /nfs/dbraw/zinc/68/92/51/1259689251.db2.gz WGHZUPUJAJCDBK-HOTGVXAUSA-N 2 0 359.474 0.924 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851431 1259690504 /nfs/dbraw/zinc/69/05/04/1259690504.db2.gz GBYXZTUWRXVYGR-LPMFXHHGSA-N 2 0 374.489 0.416 20 0 FCADRP O=C1C[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CCN1Cc1ccccc1 ZINC001246819713 1259690627 /nfs/dbraw/zinc/69/06/27/1259690627.db2.gz HZJRIDIWROBIDI-LJQANCHMSA-N 2 0 359.518 0.262 20 0 FCADRP CN(C(=O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246884661 1259692700 /nfs/dbraw/zinc/69/27/00/1259692700.db2.gz UIWIYPVDRMPRPM-GOSISDBHSA-N 2 0 357.502 0.361 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939248 1259694450 /nfs/dbraw/zinc/69/44/50/1259694450.db2.gz AGCRGRAUWAJJOB-LJQANCHMSA-N 3 0 365.566 0.104 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939225 1259695063 /nfs/dbraw/zinc/69/50/63/1259695063.db2.gz AGCRGRAUWAJJOB-IBGZPJMESA-N 3 0 365.566 0.104 20 0 FCADRP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)n2)cc1 ZINC001247330971 1259699811 /nfs/dbraw/zinc/69/98/11/1259699811.db2.gz GGNTYHOSAFIWGW-HNNXBMFYSA-N 2 0 369.429 0.708 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001335530814 1259700760 /nfs/dbraw/zinc/70/07/60/1259700760.db2.gz WQXOJKHZDHFXTE-AEFFLSMTSA-N 2 0 362.522 0.543 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)CC1 ZINC001247852879 1259707111 /nfs/dbraw/zinc/70/71/11/1259707111.db2.gz VJTTYBLBLSBTSA-UHFFFAOYSA-N 3 0 354.458 0.549 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)CC1 ZINC001247851833 1259707812 /nfs/dbraw/zinc/70/78/12/1259707812.db2.gz YYOJCZARUTYNEY-LIRRHRJNSA-N 2 0 355.442 0.976 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637775 1259801117 /nfs/dbraw/zinc/80/11/17/1259801117.db2.gz UXDBIXHFUCXLGL-ZIFCJYIRSA-N 2 0 368.474 0.826 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2(O)CCOCC2)CC1 ZINC001252961438 1259816092 /nfs/dbraw/zinc/81/60/92/1259816092.db2.gz OWQBPOHFOWBPQK-QZTJIDSGSA-N 2 0 365.518 0.935 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253388985 1259838956 /nfs/dbraw/zinc/83/89/56/1259838956.db2.gz SDPZLOKLNBGZDF-QBPKDAKJSA-N 2 0 369.506 0.484 20 0 FCADRP C[NH+]1CCN(CC[NH2+][C@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254799235 1259896770 /nfs/dbraw/zinc/89/67/70/1259896770.db2.gz JTCAERFQXRQYBV-INIZCTEOSA-N 2 0 368.522 0.992 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001255026141 1259903419 /nfs/dbraw/zinc/90/34/19/1259903419.db2.gz PKRDLXAPIQCMNG-UHFFFAOYSA-N 2 0 363.506 0.552 20 0 FCADRP COC(=O)[C@@H]1C[C@H](NC(=[NH2+])NCCCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256494131 1259953745 /nfs/dbraw/zinc/95/37/45/1259953745.db2.gz KMPFZXCWHVZMPF-OLZOCXBDSA-N 2 0 371.482 0.780 20 0 FCADRP Cc1cn([C@H]2C[C@H](NC3CC[NH+](C(C)C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001257211086 1260001796 /nfs/dbraw/zinc/00/17/96/1260001796.db2.gz ATNLQSZTZUQAJW-ARFHVFGLSA-N 2 0 366.462 0.368 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001331891264 1266301810 /nfs/dbraw/zinc/30/18/10/1266301810.db2.gz YGNFILPYUALQKB-DLBZAZTESA-N 2 0 366.506 0.698 20 0 FCADRP COC1CC[NH+](CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001336174007 1260025716 /nfs/dbraw/zinc/02/57/16/1260025716.db2.gz CACGONSXJGPAFP-HNNXBMFYSA-N 2 0 354.495 0.555 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001331891269 1266302191 /nfs/dbraw/zinc/30/21/91/1266302191.db2.gz YGNFILPYUALQKB-SJORKVTESA-N 2 0 366.506 0.698 20 0 FCADRP CCOC(=O)CC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491710 1260053898 /nfs/dbraw/zinc/05/38/98/1260053898.db2.gz LNRFXWJADOIMJK-BRWVUGGUSA-N 2 0 369.506 0.829 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1)N(O)N=O ZINC001258577845 1260056313 /nfs/dbraw/zinc/05/63/13/1260056313.db2.gz HWBZWHDTQZIZMO-INIZCTEOSA-N 2 0 364.450 0.706 20 0 FCADRP CCC[NH+]1CCC(N2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001258773829 1260056764 /nfs/dbraw/zinc/05/67/64/1260056764.db2.gz PJJHATSLFBOSOZ-IEBWSBKVSA-N 2 0 366.550 0.972 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC001336253822 1260058048 /nfs/dbraw/zinc/05/80/48/1260058048.db2.gz YRRIOHIHNXAQRB-ULQDDVLXSA-N 2 0 365.522 0.808 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273837 1260063680 /nfs/dbraw/zinc/06/36/80/1260063680.db2.gz VFPKWXWNOBKXEE-CVEARBPZSA-N 2 0 351.495 0.467 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001336845729 1260235469 /nfs/dbraw/zinc/23/54/69/1260235469.db2.gz PWNSNSQYTGZOPM-MRXNPFEDSA-N 2 0 367.538 0.993 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001262040616 1260249136 /nfs/dbraw/zinc/24/91/36/1260249136.db2.gz XFDKJFCYIACXCX-QGZVFWFLSA-N 2 0 358.486 0.889 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262046425 1260250686 /nfs/dbraw/zinc/25/06/86/1260250686.db2.gz QIQMFLBUPHMTFK-GUDVDZBRSA-N 2 0 366.550 0.925 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCCC1 ZINC001262060378 1260252996 /nfs/dbraw/zinc/25/29/96/1260252996.db2.gz YXHUYHOYYHJOFF-ZOBUZTSGSA-N 2 0 374.485 0.896 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001262062226 1260253978 /nfs/dbraw/zinc/25/39/78/1260253978.db2.gz URBKWTVVKSHMJK-DOTOQJQBSA-N 2 0 374.485 0.726 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC001336975889 1260273281 /nfs/dbraw/zinc/27/32/81/1260273281.db2.gz JJIYZBNWYQPKCT-QZTJIDSGSA-N 2 0 373.501 0.850 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC001336990773 1260278078 /nfs/dbraw/zinc/27/80/78/1260278078.db2.gz PAMYPEZRCYKIFG-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001337003271 1260281944 /nfs/dbraw/zinc/28/19/44/1260281944.db2.gz CBUJVPXEMQASTQ-JXFKEZNVSA-N 2 0 374.485 0.998 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574002 1260328881 /nfs/dbraw/zinc/32/88/81/1260328881.db2.gz ILPZQXVWIYQASK-PBHICJAKSA-N 2 0 371.428 0.767 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001263103358 1260342027 /nfs/dbraw/zinc/34/20/27/1260342027.db2.gz XDNDVVVDMISSEQ-IBGZPJMESA-N 2 0 368.522 0.234 20 0 FCADRP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001264003905 1260361940 /nfs/dbraw/zinc/36/19/40/1260361940.db2.gz CMJQCVGVGZVYFI-HIFRSBDPSA-N 2 0 367.494 0.130 20 0 FCADRP O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)[nH]n1 ZINC001337409242 1260394015 /nfs/dbraw/zinc/39/40/15/1260394015.db2.gz KHGLSHPJRIMXOQ-IAGOWNOFSA-N 2 0 372.473 0.058 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264654286 1260395450 /nfs/dbraw/zinc/39/54/50/1260395450.db2.gz GISIQDVYQGAYTE-SJORKVTESA-N 2 0 367.538 0.816 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001337486590 1260413443 /nfs/dbraw/zinc/41/34/43/1260413443.db2.gz XCIHVKLJXNXAFX-XLNGHYISSA-N 2 0 364.490 0.003 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001337494617 1260415391 /nfs/dbraw/zinc/41/53/91/1260415391.db2.gz VOJHRDONSNYLCG-INIZCTEOSA-N 2 0 373.501 0.976 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272825131 1260511952 /nfs/dbraw/zinc/51/19/52/1260511952.db2.gz NJYVFVZUWTWRJU-DLBZAZTESA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]nc4c3CCC4)C2)C1=O ZINC001277726628 1260663477 /nfs/dbraw/zinc/66/34/77/1260663477.db2.gz RKGQKMBMVGKMSA-LJQANCHMSA-N 2 0 359.474 0.801 20 0 FCADRP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001278488942 1260700115 /nfs/dbraw/zinc/70/01/15/1260700115.db2.gz XXMMEOAVZLEPGU-HOTGVXAUSA-N 2 0 355.446 0.345 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001332229394 1266361396 /nfs/dbraw/zinc/36/13/96/1266361396.db2.gz RTUFJURKJCZZIM-UHFFFAOYSA-N 2 0 365.566 0.641 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1CCC2(C[NH+](CCN3CCOCC3)C2)C1 ZINC001279246199 1260809436 /nfs/dbraw/zinc/80/94/36/1260809436.db2.gz KXORKNLOAQJLGR-GOSISDBHSA-N 2 0 362.518 0.337 20 0 FCADRP Cn1c(=O)cccc1C(=O)N1CCC2(CN(C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279500954 1260881378 /nfs/dbraw/zinc/88/13/78/1260881378.db2.gz AARDFKGCMYDVTR-MRXNPFEDSA-N 2 0 358.486 0.875 20 0 FCADRP Cn1ncnc1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502456 1260881389 /nfs/dbraw/zinc/88/13/89/1260881389.db2.gz RFACBYSCYZNYAY-ZACQAIPSSA-N 2 0 360.506 0.941 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001332254008 1266367383 /nfs/dbraw/zinc/36/73/83/1266367383.db2.gz UCKYXZSCAPCTHA-GVDBMIGSSA-N 2 0 366.506 0.210 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCOC4)CC3)[C@H]2C1 ZINC001279617954 1260900649 /nfs/dbraw/zinc/90/06/49/1260900649.db2.gz NKNNPMNXAICUJJ-SQNIBIBYSA-N 2 0 364.534 0.487 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccccc3-n3cncn3)C[C@H]21 ZINC001279713326 1260919394 /nfs/dbraw/zinc/91/93/94/1260919394.db2.gz STDJZBFKSBNTGK-MOPGFXCFSA-N 2 0 356.474 0.714 20 0 FCADRP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825942 1260938502 /nfs/dbraw/zinc/93/85/02/1260938502.db2.gz IBRDXCNQKVEZOI-LUYZLQTOSA-N 2 0 360.462 0.726 20 0 FCADRP O=C(NCC1COC1)[C@H]1COCCC12CN(CCC[NH+]1CCCCC1)C2 ZINC001279842824 1260941863 /nfs/dbraw/zinc/94/18/63/1260941863.db2.gz GAUIVGDYILKKLF-GOSISDBHSA-N 2 0 365.518 0.964 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001280025283 1260980737 /nfs/dbraw/zinc/98/07/37/1260980737.db2.gz BYZSPFPDRMLSCS-LBWNCTQTSA-N 2 0 367.490 0.220 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)CC1 ZINC001280124982 1261010927 /nfs/dbraw/zinc/01/09/27/1261010927.db2.gz CGSJAKBFBFOJPD-NXHRZFHOSA-N 2 0 361.490 0.847 20 0 FCADRP C[C@@H]1Cc2nnc(C(=O)N3CCCCO3)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001280134290 1261012407 /nfs/dbraw/zinc/01/24/07/1261012407.db2.gz BXHDPGPJMZJNRC-CQSZACIVSA-N 2 0 362.478 0.692 20 0 FCADRP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CN(CC2CC[NH2+]CC2)C3)CC1 ZINC001280135566 1261013774 /nfs/dbraw/zinc/01/37/74/1261013774.db2.gz NQZOLOSIKBDCAT-UHFFFAOYSA-N 2 0 360.506 0.891 20 0 FCADRP CN(C)C(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@]12c1ccccc1NC2=O ZINC001280138372 1261014032 /nfs/dbraw/zinc/01/40/32/1261014032.db2.gz XHHGFTUUEIZORI-JXFKEZNVSA-N 2 0 356.470 0.896 20 0 FCADRP Cn1ccnc1NC(=O)C1=NO[C@@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@H]12 ZINC001280139530 1261014271 /nfs/dbraw/zinc/01/42/71/1261014271.db2.gz BBDROABKESZTMF-LSDHHAIUSA-N 2 0 360.462 0.777 20 0 FCADRP C[NH+]1CCC(CC[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)CC1 ZINC001280139532 1261014507 /nfs/dbraw/zinc/01/45/07/1261014507.db2.gz BBEIJVNNMZPLEM-SFHVURJKSA-N 2 0 365.518 0.819 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280140497 1261014766 /nfs/dbraw/zinc/01/47/66/1261014766.db2.gz KSWAFDPWZDWHAK-APWZRJJASA-N 2 0 358.490 0.817 20 0 FCADRP CC(C)(CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280189840 1261026120 /nfs/dbraw/zinc/02/61/20/1261026120.db2.gz ZXLOPQOOCKTDMZ-HOTGVXAUSA-N 2 0 361.490 0.441 20 0 FCADRP CC(=O)N1CCC(C[NH+]2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280273250 1261045502 /nfs/dbraw/zinc/04/55/02/1261045502.db2.gz VPSJNLKHGALPMY-GOSISDBHSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)CC1 ZINC001281967168 1261312953 /nfs/dbraw/zinc/31/29/53/1261312953.db2.gz DVUCELGMPCWCDI-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC001332432347 1266402577 /nfs/dbraw/zinc/40/25/77/1266402577.db2.gz VDGRDTYCYKSXHE-ZNMIVQPWSA-N 2 0 374.489 0.207 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533795 1261472804 /nfs/dbraw/zinc/47/28/04/1261472804.db2.gz BKYGIDMPBVNDBL-FUHWJXTLSA-N 2 0 371.485 0.673 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC001473983540 1261503735 /nfs/dbraw/zinc/50/37/35/1261503735.db2.gz QKQHRGBHVRWJFB-HNNXBMFYSA-N 2 0 350.511 0.291 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001332512490 1266420802 /nfs/dbraw/zinc/42/08/02/1266420802.db2.gz YGCPTHKTZQBHAP-MRXNPFEDSA-N 2 0 363.510 0.849 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)CC1 ZINC001345130948 1261638774 /nfs/dbraw/zinc/63/87/74/1261638774.db2.gz GINCJKIXYQVNMV-IKGGRYGDSA-N 2 0 362.518 0.587 20 0 FCADRP [NH3+]CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001580318261 1278119531 /nfs/dbraw/zinc/11/95/31/1278119531.db2.gz LNHBOOKQJIXNQO-INIZCTEOSA-N 2 0 364.494 0.779 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001289095881 1262104199 /nfs/dbraw/zinc/10/41/99/1262104199.db2.gz JXAQMJXJNQXQEE-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696610 1262312320 /nfs/dbraw/zinc/31/23/20/1262312320.db2.gz PGUQDZWYEVOXDW-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001580354000 1278155100 /nfs/dbraw/zinc/15/51/00/1278155100.db2.gz DTOOXBCETMPRLD-CHWSQXEVSA-N 2 0 358.450 0.402 20 0 FCADRP [NH3+][C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001580369314 1278177469 /nfs/dbraw/zinc/17/74/69/1278177469.db2.gz XHRWWAVWJZGGJZ-MOPGFXCFSA-N 2 0 354.454 0.834 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001476679264 1263071089 /nfs/dbraw/zinc/07/10/89/1263071089.db2.gz FZROGIUOTPDPQT-JKSUJKDBSA-N 2 0 364.494 0.944 20 0 FCADRP O=C(N1CC([NH2+]C2CCOCC2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001303646503 1263111367 /nfs/dbraw/zinc/11/13/67/1263111367.db2.gz OPGDJZPTYKIYEP-OAQYLSRUSA-N 2 0 373.497 0.993 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(NC3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208988 1263136270 /nfs/dbraw/zinc/13/62/70/1263136270.db2.gz RVLGOHLULFGGAJ-QZTJIDSGSA-N 2 0 361.490 0.433 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001316596974 1263383763 /nfs/dbraw/zinc/38/37/63/1263383763.db2.gz GWJDNZULUKHVQJ-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758240 1263463330 /nfs/dbraw/zinc/46/33/30/1263463330.db2.gz SMFJEOPCCQXWCR-FGTMMUONSA-N 2 0 363.506 0.366 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318502032 1263581423 /nfs/dbraw/zinc/58/14/23/1263581423.db2.gz FKKSGIBWMZRZCN-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318662281 1263597748 /nfs/dbraw/zinc/59/77/48/1263597748.db2.gz RYAHRUNMUISPBR-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP Cc1c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)ccc2c[nH+]cn21 ZINC001320353003 1263788624 /nfs/dbraw/zinc/78/86/24/1263788624.db2.gz NZJTWBMBQKKTMK-UHFFFAOYSA-N 2 0 358.442 0.942 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320934396 1263884838 /nfs/dbraw/zinc/88/48/38/1263884838.db2.gz CDRBYUNSJHFECJ-KRWDZBQOSA-N 2 0 368.441 0.822 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC001321348432 1263940511 /nfs/dbraw/zinc/94/05/11/1263940511.db2.gz JDFVDOSHMFXCKN-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001322406858 1264190262 /nfs/dbraw/zinc/19/02/62/1264190262.db2.gz QCWUZWGZPZRLLM-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001322406856 1264190825 /nfs/dbraw/zinc/19/08/25/1264190825.db2.gz QCWUZWGZPZRLLM-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580400558 1278226029 /nfs/dbraw/zinc/22/60/29/1278226029.db2.gz FBQCUAMMPFREHD-DGCLKSJQSA-N 2 0 361.425 0.552 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC001333626153 1266656567 /nfs/dbraw/zinc/65/65/67/1266656567.db2.gz PEYBBSZPQSRIIO-YOEHRIQHSA-N 2 0 362.474 0.802 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001323389748 1264418168 /nfs/dbraw/zinc/41/81/68/1264418168.db2.gz XSRSQDQPEVWPFK-OIISXLGYSA-N 2 0 366.506 0.345 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001324268099 1264608042 /nfs/dbraw/zinc/60/80/42/1264608042.db2.gz NAQBAXNZDYHLHO-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC1 ZINC001512827171 1264677277 /nfs/dbraw/zinc/67/72/77/1264677277.db2.gz XZDCQJQXASGGEL-DLBZAZTESA-N 2 0 362.518 0.729 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001325625350 1264950859 /nfs/dbraw/zinc/95/08/59/1264950859.db2.gz FMENYNWTSIOWAB-HNNXBMFYSA-N 2 0 361.490 0.487 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCCO1 ZINC001325640903 1264955925 /nfs/dbraw/zinc/95/59/25/1264955925.db2.gz ZQBCSSJJMPNSDU-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001326036684 1265049786 /nfs/dbraw/zinc/04/97/86/1265049786.db2.gz TWUVOPIBOZBWGO-KZNAEPCWSA-N 2 0 362.518 0.921 20 0 FCADRP COc1cccc(C[C@@H](O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001326123631 1265061474 /nfs/dbraw/zinc/06/14/74/1265061474.db2.gz HJNSIXFRMCFKNC-VQIMIIECSA-N 2 0 361.486 0.883 20 0 FCADRP COC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC001326278059 1265091730 /nfs/dbraw/zinc/09/17/30/1265091730.db2.gz RCZVZYPOCUNKPH-HNNXBMFYSA-N 2 0 360.458 0.416 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)C[NH2+]CC3)c1 ZINC001326282753 1265092837 /nfs/dbraw/zinc/09/28/37/1265092837.db2.gz XBPIQURREJTZOH-UHFFFAOYSA-N 2 0 374.466 0.822 20 0 FCADRP Cc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nnn1C1CC[NH2+]CC1 ZINC001326341566 1265097130 /nfs/dbraw/zinc/09/71/30/1265097130.db2.gz WHYMOVMVMFERLJ-OAHLLOKOSA-N 2 0 362.478 0.305 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001326592681 1265138454 /nfs/dbraw/zinc/13/84/54/1265138454.db2.gz RESOMRAAYLZRTP-YESZJQIVSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC001326727601 1265159594 /nfs/dbraw/zinc/15/95/94/1265159594.db2.gz DZNFSOVWJHOBIX-GOSISDBHSA-N 2 0 373.501 0.399 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001326791961 1265167870 /nfs/dbraw/zinc/16/78/70/1265167870.db2.gz AUJVREKHCZBRPG-UHFFFAOYSA-N 2 0 357.462 0.309 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC001326968106 1265209464 /nfs/dbraw/zinc/20/94/64/1265209464.db2.gz JUFBPFMVJSCKEJ-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001514020294 1265315297 /nfs/dbraw/zinc/31/52/97/1265315297.db2.gz KYUSRFDXIRTVSD-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001327431830 1265318109 /nfs/dbraw/zinc/31/81/09/1265318109.db2.gz ZGFMTFJMLPFRTG-KRWDZBQOSA-N 2 0 373.501 0.896 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC001327499264 1265342482 /nfs/dbraw/zinc/34/24/82/1265342482.db2.gz GBWCBYVRCFRDDF-BBRMVZONSA-N 2 0 364.450 0.069 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001327613744 1265373591 /nfs/dbraw/zinc/37/35/91/1265373591.db2.gz OZBDWQMZWNOERU-SJORKVTESA-N 2 0 366.506 0.191 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001332673650 1266458517 /nfs/dbraw/zinc/45/85/17/1266458517.db2.gz WZJVYZYGEIBDLY-ZOBUZTSGSA-N 2 0 366.506 0.332 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)C1 ZINC001333635449 1266659754 /nfs/dbraw/zinc/65/97/54/1266659754.db2.gz HZKDIUPUDZRYFU-INIZCTEOSA-N 2 0 361.494 0.055 20 0 FCADRP C[C@H](NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001334211942 1266887483 /nfs/dbraw/zinc/88/74/83/1266887483.db2.gz BUCJZASWFMGYOO-JKSUJKDBSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2CCCC[NH+]2C)C2CC2)CC[N@@H+]1C ZINC001529775248 1267075277 /nfs/dbraw/zinc/07/52/77/1267075277.db2.gz NRVTZBZHYQIHHY-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC001542656303 1267502769 /nfs/dbraw/zinc/50/27/69/1267502769.db2.gz ZFYVNFIUVHXKAL-KRWDZBQOSA-N 2 0 359.474 0.698 20 0 FCADRP CCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001546534072 1267654556 /nfs/dbraw/zinc/65/45/56/1267654556.db2.gz PTCQUWUWIYFQRD-LJQANCHMSA-N 2 0 362.522 0.972 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC001549047663 1267795200 /nfs/dbraw/zinc/79/52/00/1267795200.db2.gz VZELBGXNDVMOLM-ARFHVFGLSA-N 2 0 362.478 0.561 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C[C@@H]2[NH3+])cn1 ZINC001549074359 1267798893 /nfs/dbraw/zinc/79/88/93/1267798893.db2.gz SGUADCHFGHCJRJ-SJORKVTESA-N 2 0 369.473 0.134 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC1=O ZINC001549073009 1267799335 /nfs/dbraw/zinc/79/93/35/1267799335.db2.gz AFJUQCRYOFCOCR-GHMZBOCLSA-N 2 0 351.476 0.308 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]2[NH3+])cn1 ZINC001549217244 1267859992 /nfs/dbraw/zinc/85/99/92/1267859992.db2.gz JCAFGZFMJBMZQJ-ROUUACIJSA-N 2 0 360.506 0.978 20 0 FCADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001549294623 1267890764 /nfs/dbraw/zinc/89/07/64/1267890764.db2.gz SYYPHFXZYFSOPE-IBGZPJMESA-N 2 0 359.474 0.360 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1=O ZINC001549296711 1267892476 /nfs/dbraw/zinc/89/24/76/1267892476.db2.gz SPVNZKDJOWDAHZ-SQNIBIBYSA-N 2 0 358.486 0.658 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001549732268 1267981654 /nfs/dbraw/zinc/98/16/54/1267981654.db2.gz RAXLLRMPBKSQRE-MJGOQNOKSA-N 2 0 356.470 0.709 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550162933 1268086487 /nfs/dbraw/zinc/08/64/87/1268086487.db2.gz BOXHLECQQOCVDP-QZTJIDSGSA-N 2 0 352.523 0.628 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001550201835 1268090238 /nfs/dbraw/zinc/09/02/38/1268090238.db2.gz JGWFOFMROJKXTF-HUUCEWRRSA-N 2 0 354.470 0.657 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC001550202111 1268091181 /nfs/dbraw/zinc/09/11/81/1268091181.db2.gz OZBWQRCFTZUOCV-RHSMWYFYSA-N 2 0 356.430 0.608 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC001550199471 1268091936 /nfs/dbraw/zinc/09/19/36/1268091936.db2.gz FCKDWVADUGINAV-NVXWUHKLSA-N 2 0 370.457 0.998 20 0 FCADRP Cn1cc(CN2CC[C@H]([NH+](C)C)C2)c(C(=O)N2CCC([NH+]3CCC3)CC2)n1 ZINC001550401032 1268111190 /nfs/dbraw/zinc/11/11/90/1268111190.db2.gz LJHQQCFQEJGSLE-SFHVURJKSA-N 2 0 374.533 0.866 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001550478843 1268124681 /nfs/dbraw/zinc/12/46/81/1268124681.db2.gz XVXPPYQPEMUHRZ-ZMMAXQRCSA-N 2 0 363.506 0.654 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)[C@@H](O)C2 ZINC001550480922 1268125633 /nfs/dbraw/zinc/12/56/33/1268125633.db2.gz VAULERSZFAFKDS-GJGATLCTSA-N 2 0 353.507 0.551 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482192 1268125861 /nfs/dbraw/zinc/12/58/61/1268125861.db2.gz YGKVXLPBKCBWEO-UMGGQSCQSA-N 2 0 366.550 0.610 20 0 FCADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550481434 1268126433 /nfs/dbraw/zinc/12/64/33/1268126433.db2.gz IGOFEGOLZFEYNL-JFRXWTBNSA-N 2 0 352.523 0.220 20 0 FCADRP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486176 1268127778 /nfs/dbraw/zinc/12/77/78/1268127778.db2.gz KENYMCKZBHEERW-QFIAKTPHSA-N 2 0 365.518 0.836 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539943 1268129211 /nfs/dbraw/zinc/12/92/11/1268129211.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 2 0 352.523 0.343 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550769020 1268166111 /nfs/dbraw/zinc/16/61/11/1268166111.db2.gz WJOQMUNKVQYJHK-HUUCEWRRSA-N 2 0 352.479 0.213 20 0 FCADRP C[NH+]1CCCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339153244 1268177164 /nfs/dbraw/zinc/17/71/64/1268177164.db2.gz PDCCVSRQSADDHS-HZPDHXFCSA-N 2 0 370.563 0.921 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC001550977645 1268188294 /nfs/dbraw/zinc/18/82/94/1268188294.db2.gz NFQORMBIRPBWIX-GDBMZVCRSA-N 2 0 354.495 0.384 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464155 1268257008 /nfs/dbraw/zinc/25/70/08/1268257008.db2.gz CADGOOJMOOGVLN-CVEARBPZSA-N 2 0 354.495 0.555 20 0 FCADRP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)NCc1ccc(CN3CC[NH2+]CC3)cc1)C2 ZINC001551468342 1268258301 /nfs/dbraw/zinc/25/83/01/1268258301.db2.gz NSJZYLIZUBYNCJ-QUCCMNQESA-N 2 0 357.502 0.843 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@]34C[C@]3(C(F)(F)F)C[NH2+]C4)C[C@@H]2[NH3+])cn1 ZINC001551549765 1268265540 /nfs/dbraw/zinc/26/55/40/1268265540.db2.gz GRBLDQJENLFWNS-JURCDPSOSA-N 2 0 372.395 0.398 20 0 FCADRP CN(C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1(C[NH3+])CCCCC1 ZINC001551554446 1268266501 /nfs/dbraw/zinc/26/65/01/1268266501.db2.gz JHWXWZVUIJDRFM-RDJZCZTQSA-N 2 0 365.522 0.936 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001551558787 1268269791 /nfs/dbraw/zinc/26/97/91/1268269791.db2.gz ZYNOFQDPIKEWQR-FUHWJXTLSA-N 2 0 374.489 0.594 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551558913 1268270185 /nfs/dbraw/zinc/27/01/85/1268270185.db2.gz FMICYOOFTQFFEE-RPVQJOFSSA-N 2 0 363.506 0.417 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551560014 1268271170 /nfs/dbraw/zinc/27/11/70/1268271170.db2.gz HKFJRASBJJRZMM-DOTOQJQBSA-N 2 0 365.522 0.664 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551562400 1268271786 /nfs/dbraw/zinc/27/17/86/1268271786.db2.gz MNHJGZGGDRNTDB-RDJZCZTQSA-N 2 0 365.522 0.759 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551569017 1268273906 /nfs/dbraw/zinc/27/39/06/1268273906.db2.gz CSZJUGUBNIKTFE-AEFFLSMTSA-N 2 0 365.522 0.664 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551575644 1268274745 /nfs/dbraw/zinc/27/47/45/1268274745.db2.gz GIWGZAPEGZBNDP-ZOBUZTSGSA-N 2 0 351.495 0.273 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001551576848 1268275291 /nfs/dbraw/zinc/27/52/91/1268275291.db2.gz JZOHUDBRKJZIJA-IEZWGBDMSA-N 2 0 363.506 0.418 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001551576851 1268275730 /nfs/dbraw/zinc/27/57/30/1268275730.db2.gz JZOHUDBRKJZIJA-WDYCEAGBSA-N 2 0 363.506 0.418 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551588770 1268279666 /nfs/dbraw/zinc/27/96/66/1268279666.db2.gz GJJMOOTUWMVDGE-ANRZDRKOSA-N 2 0 363.506 0.415 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001552095459 1268372842 /nfs/dbraw/zinc/37/28/42/1268372842.db2.gz HIIJGEJXDPBHQM-BRWVUGGUSA-N 2 0 364.494 0.213 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552154518 1268395335 /nfs/dbraw/zinc/39/53/35/1268395335.db2.gz JCBUXMYUJHSKOM-KURKYZTESA-N 2 0 350.507 0.145 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[C@@H]1c1ccc(F)cc1 ZINC001552159969 1268396005 /nfs/dbraw/zinc/39/60/05/1268396005.db2.gz HTFHYHDKMPDACO-BZUAXINKSA-N 2 0 358.421 0.909 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552167684 1268400205 /nfs/dbraw/zinc/40/02/05/1268400205.db2.gz HEEUJNSBVLBRSZ-INIZCTEOSA-N 2 0 355.446 0.602 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1C ZINC001552168419 1268400622 /nfs/dbraw/zinc/40/06/22/1268400622.db2.gz YHUHCMDPKWRVEL-SZMVWBNQSA-N 2 0 361.490 0.212 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201576 1268408100 /nfs/dbraw/zinc/40/81/00/1268408100.db2.gz SJEMELYHINMSSY-FXAWDEMLSA-N 2 0 359.470 0.496 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)CCCC2)CC1 ZINC001552201263 1268408212 /nfs/dbraw/zinc/40/82/12/1268408212.db2.gz LXVZAPBEKGLZCX-HNAYVOBHSA-N 2 0 351.491 0.762 20 0 FCADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2C[C@@H](O)C[C@H]2C1 ZINC001552225482 1268416447 /nfs/dbraw/zinc/41/64/47/1268416447.db2.gz UPHLWCJUAIABCL-UGUYLWEFSA-N 2 0 362.478 0.089 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C[C@@H]2[NH3+])cn1 ZINC001552236601 1268418504 /nfs/dbraw/zinc/41/85/04/1268418504.db2.gz WJUHJFRZVFIPFY-JLSDUUJJSA-N 2 0 354.458 0.743 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C[C@@H]2[NH3+])cn1 ZINC001552236602 1268419205 /nfs/dbraw/zinc/41/92/05/1268419205.db2.gz WJUHJFRZVFIPFY-WBAXXEDZSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@@H]3C3CC[NH2+]CC3)c2)nn1 ZINC001552275494 1268430164 /nfs/dbraw/zinc/43/01/64/1268430164.db2.gz PLAQSSQJVOXDLI-QZTJIDSGSA-N 2 0 354.458 0.978 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340111737 1268438638 /nfs/dbraw/zinc/43/86/38/1268438638.db2.gz HXVGLSUILHUETB-NRFANRHFSA-N 2 0 374.529 0.945 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001340119138 1268441578 /nfs/dbraw/zinc/44/15/78/1268441578.db2.gz NKVYZTVCIIYCEE-SOUVJXGZSA-N 2 0 356.536 0.564 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001340120963 1268442410 /nfs/dbraw/zinc/44/24/10/1268442410.db2.gz MPZRFHXFFFKMMD-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001340166733 1268456818 /nfs/dbraw/zinc/45/68/18/1268456818.db2.gz CUCXCVAEKCDZJI-KRWDZBQOSA-N 2 0 354.495 0.047 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434292 1268462048 /nfs/dbraw/zinc/46/20/48/1268462048.db2.gz IREWHUJSJPDYFA-CVEARBPZSA-N 2 0 362.478 0.494 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001552436109 1268463593 /nfs/dbraw/zinc/46/35/93/1268463593.db2.gz ZZERCMUXBGQWRC-CVEARBPZSA-N 2 0 360.506 0.727 20 0 FCADRP O=C(NCc1cc(O[C@H]2CC[NH2+]C2)ccn1)c1cnnn1C1CC[NH2+]CC1 ZINC001552441179 1268466061 /nfs/dbraw/zinc/46/60/61/1268466061.db2.gz GJISCWCJWDDPRB-INIZCTEOSA-N 2 0 371.445 0.268 20 0 FCADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[NH2+]CCN2C)CCOCC1)c1ccccc1 ZINC001340221777 1268475587 /nfs/dbraw/zinc/47/55/87/1268475587.db2.gz FSBONPIFZNMGJY-SJLPKXTDSA-N 2 0 360.502 0.906 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)CC1 ZINC001552600192 1268484161 /nfs/dbraw/zinc/48/41/61/1268484161.db2.gz VERNCPRPJBQBHP-IAGOWNOFSA-N 2 0 363.510 0.895 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552700847 1268523471 /nfs/dbraw/zinc/52/34/71/1268523471.db2.gz RUUOPDBACDVVGQ-HOCLYGCPSA-N 2 0 350.467 0.515 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)C2)CC1 ZINC001552697870 1268523979 /nfs/dbraw/zinc/52/39/79/1268523979.db2.gz GJOYAMMGUNFTRX-MRXNPFEDSA-N 2 0 360.506 0.729 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552839942 1268558447 /nfs/dbraw/zinc/55/84/47/1268558447.db2.gz YQEQEFRGSOJDFI-MNOVXSKESA-N 2 0 358.393 0.153 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552899201 1268563792 /nfs/dbraw/zinc/56/37/92/1268563792.db2.gz SSYMBPKHABPAPE-INIZCTEOSA-N 2 0 365.522 0.986 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CC2)CC1 ZINC001552899850 1268564657 /nfs/dbraw/zinc/56/46/57/1268564657.db2.gz DXZWPSBGBCEXIQ-MRXNPFEDSA-N 2 0 363.506 0.739 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375556 1268638689 /nfs/dbraw/zinc/63/86/89/1268638689.db2.gz RQBKXJZRFYJQDQ-UTKZUKDTSA-N 2 0 370.497 0.949 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375545 1268638901 /nfs/dbraw/zinc/63/89/01/1268638901.db2.gz RQBKXJZRFYJQDQ-DYESRHJHSA-N 2 0 370.497 0.949 20 0 FCADRP Cc1ccc(C(=O)NCCNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cc1F ZINC001553383219 1268640410 /nfs/dbraw/zinc/64/04/10/1268640410.db2.gz LENPLDVSWDRVRV-DNVCBOLYSA-N 2 0 362.449 0.521 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cn2)CC1 ZINC001553414552 1268646557 /nfs/dbraw/zinc/64/65/57/1268646557.db2.gz XOTRMQFFDWSSFT-IKGGRYGDSA-N 2 0 359.474 0.359 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cn2)CC1 ZINC001553414556 1268646992 /nfs/dbraw/zinc/64/69/92/1268646992.db2.gz XOTRMQFFDWSSFT-IXDOHACOSA-N 2 0 359.474 0.359 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)ccc2oc1=O ZINC001553413840 1268647058 /nfs/dbraw/zinc/64/70/58/1268647058.db2.gz QUNFWSHKGFLVGZ-XEZPLFJOSA-N 2 0 360.414 0.614 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)[NH+]1CCN(C)CC1 ZINC001553415590 1268647606 /nfs/dbraw/zinc/64/76/06/1268647606.db2.gz AFGGPEYPINLVQF-DLBZAZTESA-N 2 0 367.538 0.326 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]4CC[NH2+]C[C@@H]4C3)ccn2)CC1 ZINC001553424599 1268648246 /nfs/dbraw/zinc/64/82/46/1268648246.db2.gz YHEGYMBFHAVYKI-QZTJIDSGSA-N 2 0 372.517 0.974 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424740 1268648831 /nfs/dbraw/zinc/64/88/31/1268648831.db2.gz ZUHBIDJJNZBTDA-HOTGVXAUSA-N 2 0 354.495 0.411 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424742 1268648876 /nfs/dbraw/zinc/64/88/76/1268648876.db2.gz ZUHBIDJJNZBTDA-HZPDHXFCSA-N 2 0 354.495 0.411 20 0 FCADRP [NH3+][C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553454312 1268653959 /nfs/dbraw/zinc/65/39/59/1268653959.db2.gz JPMRRJODRUMJCS-RDJZCZTQSA-N 2 0 366.506 0.637 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1C[C@@H]([NH3+])C3(C1)CCOCC3)C2 ZINC001553522847 1268662365 /nfs/dbraw/zinc/66/23/65/1268662365.db2.gz BFIIAOFNOKESGO-CYBMUJFWSA-N 2 0 351.476 0.520 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1C[NH2+]CC13CCOCC3)C2 ZINC001553522859 1268663085 /nfs/dbraw/zinc/66/30/85/1268663085.db2.gz BORXPKLRWHFLDL-ZDUSSCGKSA-N 2 0 351.476 0.438 20 0 FCADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCC([NH2+]C2CCC2)CC1 ZINC001580518951 1278442374 /nfs/dbraw/zinc/44/23/74/1278442374.db2.gz QTMAHNVZZPEVGG-UHOFOFEASA-N 2 0 355.504 0.142 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)C[C@H]1C[NH+](C)C ZINC001341503997 1269037017 /nfs/dbraw/zinc/03/70/17/1269037017.db2.gz WMNMTJZJAFCLJY-RKVPGOIHSA-N 3 0 351.495 0.083 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341585851 1269095889 /nfs/dbraw/zinc/09/58/89/1269095889.db2.gz NTTHVCVJKULRFT-DFGXFYAUSA-N 2 0 368.522 0.576 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O)[NH+](C)C ZINC001341664220 1269138949 /nfs/dbraw/zinc/13/89/49/1269138949.db2.gz PWMTXVZAHJPAPO-JFIYKMOQSA-N 2 0 368.522 0.137 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC001341697501 1269156665 /nfs/dbraw/zinc/15/66/65/1269156665.db2.gz RPDQHNBJFSVQHS-OAQYLSRUSA-N 2 0 374.529 0.767 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001341712155 1269164720 /nfs/dbraw/zinc/16/47/20/1269164720.db2.gz JNLWLOWKMUJPHE-ROUUACIJSA-N 2 0 373.501 0.695 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001341712156 1269164728 /nfs/dbraw/zinc/16/47/28/1269164728.db2.gz JNLWLOWKMUJPHE-ZWKOTPCHSA-N 2 0 373.501 0.695 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001341733332 1269176665 /nfs/dbraw/zinc/17/66/65/1269176665.db2.gz NOGOXDHWRZKOHK-AEFFLSMTSA-N 2 0 358.486 0.908 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001563599307 1269394053 /nfs/dbraw/zinc/39/40/53/1269394053.db2.gz NMYWEHDAZLAQQY-INIZCTEOSA-N 2 0 355.527 0.158 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC001342248770 1269408850 /nfs/dbraw/zinc/40/88/50/1269408850.db2.gz WCQYGMIILVAMQB-UHFFFAOYSA-N 2 0 371.489 0.351 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001342341425 1269435012 /nfs/dbraw/zinc/43/50/12/1269435012.db2.gz VPPFLVLVAOFCJI-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP O=C(COC1C[NH2+]C1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001580560294 1278486522 /nfs/dbraw/zinc/48/65/22/1278486522.db2.gz GAKFWBDVCRVZJD-GOSISDBHSA-N 2 0 358.486 0.394 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001565927027 1269523477 /nfs/dbraw/zinc/52/34/77/1269523477.db2.gz KHEITQZYGJKVOQ-HYVNUMGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342756193 1269592510 /nfs/dbraw/zinc/59/25/10/1269592510.db2.gz UWPWHJBVAWJDLL-KBPBESRZSA-N 2 0 350.467 0.951 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001566673707 1269655802 /nfs/dbraw/zinc/65/58/02/1269655802.db2.gz PQWDOLCMCKPNJT-QGZVFWFLSA-N 2 0 359.474 0.522 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001567880150 1269713010 /nfs/dbraw/zinc/71/30/10/1269713010.db2.gz VNKXKTRNCHBZLZ-OTWHNJEPSA-N 2 0 361.486 0.531 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC001343408586 1269899356 /nfs/dbraw/zinc/89/93/56/1269899356.db2.gz AJVPBGCOBYIYMT-ZIFCJYIRSA-N 2 0 359.518 0.968 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC001343957924 1270061156 /nfs/dbraw/zinc/06/11/56/1270061156.db2.gz SOSKUAPPSDCRPS-UHFFFAOYSA-N 2 0 360.502 0.866 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001572816936 1270186236 /nfs/dbraw/zinc/18/62/36/1270186236.db2.gz HMJUXYYZHAFWLQ-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001344949900 1270282305 /nfs/dbraw/zinc/28/23/05/1270282305.db2.gz GXQKMSVYSJRJOR-XYJFISCASA-N 2 0 362.518 0.872 20 0 FCADRP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580617780 1278570397 /nfs/dbraw/zinc/57/03/97/1278570397.db2.gz KAFHGYPWZQLEAD-PMPSAXMXSA-N 2 0 353.463 0.877 20 0 FCADRP CC(C)[C@@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573975933 1270969029 /nfs/dbraw/zinc/96/90/29/1270969029.db2.gz UTXCRHRDSWYNTO-ZUEPYMLJSA-N 2 0 372.477 0.671 20 0 FCADRP CC(C)[C@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001573976658 1270971093 /nfs/dbraw/zinc/97/10/93/1270971093.db2.gz XQILOFMGDODRMT-MRXNPFEDSA-N 2 0 372.477 0.933 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573981986 1270974829 /nfs/dbraw/zinc/97/48/29/1270974829.db2.gz KPTROSARXTWELJ-XJKCOSOUSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001573981781 1270974836 /nfs/dbraw/zinc/97/48/36/1270974836.db2.gz HUGKYMGPRAMLSY-BFJAYTPKSA-N 2 0 370.461 0.399 20 0 FCADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574592654 1271391444 /nfs/dbraw/zinc/39/14/44/1271391444.db2.gz JMIKGUPPLIJMHH-CYBMUJFWSA-N 2 0 370.461 0.619 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595720 1271396209 /nfs/dbraw/zinc/39/62/09/1271396209.db2.gz FVVVGCCRYOPHEA-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574670911 1271471651 /nfs/dbraw/zinc/47/16/51/1271471651.db2.gz GMGMVDZNZTYNKB-DOMZBBRYSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574671994 1271474251 /nfs/dbraw/zinc/47/42/51/1271474251.db2.gz RFPSAWISNQMAQK-GFCCVEGCSA-N 2 0 356.434 0.086 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574786755 1271522949 /nfs/dbraw/zinc/52/29/49/1271522949.db2.gz XRLRGGOPEHXRLJ-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870924 1271623260 /nfs/dbraw/zinc/62/32/60/1271623260.db2.gz FHYKICNVBAWSLC-ABAIWWIYSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876319 1271633113 /nfs/dbraw/zinc/63/31/13/1271633113.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884266 1271641437 /nfs/dbraw/zinc/64/14/37/1271641437.db2.gz FVYXWWXEAVSRGE-WFASDCNBSA-N 2 0 370.461 0.190 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001575202764 1271784632 /nfs/dbraw/zinc/78/46/32/1271784632.db2.gz SBUUYHAHDXOLAW-SWLSCSKDSA-N 2 0 352.435 0.679 20 0 FCADRP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC001575214816 1271794811 /nfs/dbraw/zinc/79/48/11/1271794811.db2.gz HJNMQOJFIWWEBA-CYBMUJFWSA-N 2 0 355.483 0.718 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001575437369 1272107041 /nfs/dbraw/zinc/10/70/41/1272107041.db2.gz AMTLYYPDTGGANN-UONOGXRCSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH3+])C1 ZINC001575682059 1272294159 /nfs/dbraw/zinc/29/41/59/1272294159.db2.gz KRKHUNRBQLAGRF-HNNXBMFYSA-N 2 0 363.510 0.668 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001575698305 1272316568 /nfs/dbraw/zinc/31/65/68/1272316568.db2.gz NPCABMFFLDZZLP-SFHVURJKSA-N 2 0 351.539 0.299 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001575701685 1272321817 /nfs/dbraw/zinc/32/18/17/1272321817.db2.gz FQOCJGWGFXCTKR-YOEHRIQHSA-N 2 0 364.494 0.631 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2CC(=O)N(C)C)CC1 ZINC001575699051 1272322032 /nfs/dbraw/zinc/32/20/32/1272322032.db2.gz ZJSMNMLZFSBWRI-HNNXBMFYSA-N 2 0 363.510 0.364 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001575716334 1272360174 /nfs/dbraw/zinc/36/01/74/1272360174.db2.gz PAIVFLBAMPGWLQ-HNNXBMFYSA-N 2 0 361.494 0.476 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001575717127 1272361674 /nfs/dbraw/zinc/36/16/74/1272361674.db2.gz ZXJIDQORWUUPHV-ZIAGYGMSSA-N 2 0 363.510 0.827 20 0 FCADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cn(C2C[NH2+]C2)nn1 ZINC001575962369 1272614250 /nfs/dbraw/zinc/61/42/50/1272614250.db2.gz QJOSKIHCPSVYQA-LBPRGKRZSA-N 2 0 354.414 0.587 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001576052919 1272783423 /nfs/dbraw/zinc/78/34/23/1272783423.db2.gz OHUCORNFIIFAGA-OLZOCXBDSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H]1C[C@H]([NH2+]CCc2cn[nH]n2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058803 1272795479 /nfs/dbraw/zinc/79/54/79/1272795479.db2.gz PTFLTXOSFGPOPG-LSDHHAIUSA-N 2 0 364.494 0.427 20 0 FCADRP C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH3+])CC1)[NH+](C)C ZINC001576066255 1272816822 /nfs/dbraw/zinc/81/68/22/1272816822.db2.gz SQOSLCATJIMMPR-ZDUSSCGKSA-N 2 0 372.477 0.803 20 0 FCADRP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001576201823 1272988593 /nfs/dbraw/zinc/98/85/93/1272988593.db2.gz YZLISXKYDYKUTE-JYJNAYRXSA-N 2 0 353.511 0.160 20 0 FCADRP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[N@H+](C)CCN1C ZINC001576207661 1272989568 /nfs/dbraw/zinc/98/95/68/1272989568.db2.gz QBVDLHLNULUBQQ-ARFHVFGLSA-N 2 0 353.511 0.079 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576247418 1273026015 /nfs/dbraw/zinc/02/60/15/1273026015.db2.gz PGGDVALKDNIHMS-CJNGLKHVSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576247995 1273028345 /nfs/dbraw/zinc/02/83/45/1273028345.db2.gz RUVJJEYQAUPZMI-UONOGXRCSA-N 2 0 372.477 0.532 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576249361 1273031395 /nfs/dbraw/zinc/03/13/95/1273031395.db2.gz XKBNHMKXMVBGKU-WCQYABFASA-N 2 0 363.491 0.816 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001576254809 1273036459 /nfs/dbraw/zinc/03/64/59/1273036459.db2.gz FXQZXVGPQACMGD-WFASDCNBSA-N 2 0 358.450 0.283 20 0 FCADRP CC1(C)[NH2+][C@H](CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CO1 ZINC001576488384 1273337454 /nfs/dbraw/zinc/33/74/54/1273337454.db2.gz CMMUVWXDWWJMLN-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491367 1273347703 /nfs/dbraw/zinc/34/77/03/1273347703.db2.gz XQYLVVQXKQCVCD-BBRMVZONSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498704 1273359353 /nfs/dbraw/zinc/35/93/53/1273359353.db2.gz DPCLYOJISVAFOA-INIZCTEOSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC001576499043 1273360640 /nfs/dbraw/zinc/36/06/40/1273360640.db2.gz HLMJBFUOIXODIL-OAHLLOKOSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501129 1273365561 /nfs/dbraw/zinc/36/55/61/1273365561.db2.gz VFZBQOSXBGFDFL-HIFRSBDPSA-N 2 0 372.477 0.853 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576520622 1273404202 /nfs/dbraw/zinc/40/42/02/1273404202.db2.gz QEAFCUKYZWWTIJ-XHDPSFHLSA-N 2 0 360.466 0.639 20 0 FCADRP CC1([NH+]2CCC2)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001576535010 1273421248 /nfs/dbraw/zinc/42/12/48/1273421248.db2.gz XHXRHYBJYQYUPA-RBSFLKMASA-N 2 0 355.504 0.096 20 0 FCADRP CC1([NH+]2CCC2)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001576535004 1273421390 /nfs/dbraw/zinc/42/13/90/1273421390.db2.gz XHXRHYBJYQYUPA-ILXRZTDVSA-N 2 0 355.504 0.096 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCCC2)cn1 ZINC001576750107 1273619663 /nfs/dbraw/zinc/61/96/63/1273619663.db2.gz MCTJMIPSTXXRSR-UHFFFAOYSA-N 2 0 360.466 0.395 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001576752057 1273623305 /nfs/dbraw/zinc/62/33/05/1273623305.db2.gz ONCJVWXVBWQKEH-INIZCTEOSA-N 2 0 364.494 0.634 20 0 FCADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576795236 1273696190 /nfs/dbraw/zinc/69/61/90/1273696190.db2.gz HSOIGGNWTMBUHN-ZDUSSCGKSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806595 1273715894 /nfs/dbraw/zinc/71/58/94/1273715894.db2.gz NWSQQGSRNCQNQZ-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825841 1273749012 /nfs/dbraw/zinc/74/90/12/1273749012.db2.gz XAKRCGIDENJAJT-ZDUSSCGKSA-N 2 0 372.477 0.783 20 0 FCADRP C[C@@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828551 1273755214 /nfs/dbraw/zinc/75/52/14/1273755214.db2.gz IHNKCSFPNPHLDR-GDBMZVCRSA-N 2 0 361.538 0.965 20 0 FCADRP C[N@H+](CCc1c[nH]nn1)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883395 1273866846 /nfs/dbraw/zinc/86/68/46/1273866846.db2.gz MONGACFSLWHERC-INIZCTEOSA-N 2 0 364.494 0.381 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576884756 1273874632 /nfs/dbraw/zinc/87/46/32/1273874632.db2.gz ZOARXWXGXQIMRR-HQVVEAJESA-N 2 0 362.478 0.529 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001576995014 1274028633 /nfs/dbraw/zinc/02/86/33/1274028633.db2.gz HTSDZKDOXMQOTQ-TUVASFSCSA-N 2 0 363.510 0.525 20 0 FCADRP CCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001577122623 1274175446 /nfs/dbraw/zinc/17/54/46/1274175446.db2.gz AFDSRPBFYUNVIG-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577554508 1274496332 /nfs/dbraw/zinc/49/63/32/1274496332.db2.gz SPYYVIAZAWDSMA-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555335 1274497289 /nfs/dbraw/zinc/49/72/89/1274497289.db2.gz YFFSDWFDIOKWGT-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577565260 1274521014 /nfs/dbraw/zinc/52/10/14/1274521014.db2.gz LUXHCOIDAJMUCV-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567795 1274525302 /nfs/dbraw/zinc/52/53/02/1274525302.db2.gz HLLXUUYRVFIUAT-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574326 1274540213 /nfs/dbraw/zinc/54/02/13/1274540213.db2.gz VQRNETAROJYPOJ-UHFFFAOYSA-N 2 0 360.466 0.854 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577574220 1274540428 /nfs/dbraw/zinc/54/04/28/1274540428.db2.gz RQNWWAWMRHRELE-CYBMUJFWSA-N 2 0 360.466 0.935 20 0 FCADRP CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([NH3+])C1 ZINC001577687981 1274741329 /nfs/dbraw/zinc/74/13/29/1274741329.db2.gz XJLDAQFSLGOHAP-AWEZNQCLSA-N 2 0 351.499 0.686 20 0 FCADRP CC[N@H+](CCNC(=O)NCCCN1CC[NH2+]CC1)CCC(F)(F)F ZINC001577722715 1274790192 /nfs/dbraw/zinc/79/01/92/1274790192.db2.gz FVQCCQYGGLGRDE-UHFFFAOYSA-N 2 0 353.433 0.855 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH2+]C)C2)C1 ZINC001577764073 1274847360 /nfs/dbraw/zinc/84/73/60/1274847360.db2.gz PROXFBFFJQBKEQ-HUUCEWRRSA-N 2 0 356.478 0.875 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH2+]CC2)C1 ZINC001577763871 1274848737 /nfs/dbraw/zinc/84/87/37/1274848737.db2.gz LKFLJLLWLJILKJ-HNNXBMFYSA-N 2 0 361.494 0.152 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001577767202 1274850574 /nfs/dbraw/zinc/85/05/74/1274850574.db2.gz HTHIPJUNHRTHSS-LPHOPBHVSA-N 2 0 352.523 0.901 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)C1 ZINC001577774157 1274863734 /nfs/dbraw/zinc/86/37/34/1274863734.db2.gz UFHAJVLNZCEZGM-QLFBSQMISA-N 2 0 361.494 0.293 20 0 FCADRP CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC001577778264 1274871208 /nfs/dbraw/zinc/87/12/08/1274871208.db2.gz OVQZVXTVZVVTDQ-RDJZCZTQSA-N 2 0 361.538 0.967 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC001577781342 1274876210 /nfs/dbraw/zinc/87/62/10/1274876210.db2.gz MTDJHVKHQGJKOT-GDBMZVCRSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC001577780895 1274877361 /nfs/dbraw/zinc/87/73/61/1274877361.db2.gz FYNMMCSVFAQSRF-KKUMJFAQSA-N 2 0 363.510 0.743 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852069 1274994215 /nfs/dbraw/zinc/99/42/15/1274994215.db2.gz JGELOBCLPKMSGP-KBPBESRZSA-N 2 0 372.477 0.532 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577852217 1274995874 /nfs/dbraw/zinc/99/58/74/1274995874.db2.gz MHVPWXAETWGNSR-HIFRSBDPSA-N 2 0 372.477 0.735 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866341 1275044557 /nfs/dbraw/zinc/04/45/57/1275044557.db2.gz FCWIRALMZOZTCM-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577883283 1275086384 /nfs/dbraw/zinc/08/63/84/1275086384.db2.gz XYOSZSWUJLADGK-WFASDCNBSA-N 2 0 358.450 0.284 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577888900 1275096821 /nfs/dbraw/zinc/09/68/21/1275096821.db2.gz ZOTBRGLUYONAHP-OLZOCXBDSA-N 2 0 360.466 0.721 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577888819 1275096826 /nfs/dbraw/zinc/09/68/26/1275096826.db2.gz XKUKPPIXKSXDJE-SFHVURJKSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577888899 1275096858 /nfs/dbraw/zinc/09/68/58/1275096858.db2.gz ZOTBRGLUYONAHP-CHWSQXEVSA-N 2 0 360.466 0.721 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577888902 1275097842 /nfs/dbraw/zinc/09/78/42/1275097842.db2.gz ZOTBRGLUYONAHP-STQMWFEESA-N 2 0 360.466 0.721 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949506 1275170961 /nfs/dbraw/zinc/17/09/61/1275170961.db2.gz JZVIBHWBYJQDLI-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577975451 1275203508 /nfs/dbraw/zinc/20/35/08/1275203508.db2.gz DMSDFZLUNJTTDS-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001578107966 1275411375 /nfs/dbraw/zinc/41/13/75/1275411375.db2.gz XIEXMSJGNCFWTN-MRXNPFEDSA-N 2 0 374.493 0.839 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001578109820 1275412243 /nfs/dbraw/zinc/41/22/43/1275412243.db2.gz JIPBYQCRLRLBRD-CYBMUJFWSA-N 2 0 372.477 0.594 20 0 FCADRP CCOCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC[NH3+] ZINC001578134931 1275434060 /nfs/dbraw/zinc/43/40/60/1275434060.db2.gz HBSGDBFKXSXWNK-INIZCTEOSA-N 2 0 365.526 0.378 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220015 1275516016 /nfs/dbraw/zinc/51/60/16/1275516016.db2.gz VANULQQQXPNNRB-CJNGLKHVSA-N 2 0 370.461 0.571 20 0 FCADRP CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC[NH2+]C ZINC001578324250 1275669727 /nfs/dbraw/zinc/66/97/27/1275669727.db2.gz JKZNKMYSMYRBSP-QGZVFWFLSA-N 2 0 358.490 0.916 20 0 FCADRP CCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC[NH2+]C ZINC001578324249 1275670362 /nfs/dbraw/zinc/67/03/62/1275670362.db2.gz JKZNKMYSMYRBSP-KRWDZBQOSA-N 2 0 358.490 0.916 20 0 FCADRP CCc1nnc(N2CC[C@@H]([NH3+])C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001578329472 1275675408 /nfs/dbraw/zinc/67/54/08/1275675408.db2.gz WGAHQKVQFGGHLA-MSOLQXFVSA-N 2 0 370.501 0.993 20 0 FCADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc(C[NH3+])n1 ZINC001578417037 1275786519 /nfs/dbraw/zinc/78/65/19/1275786519.db2.gz MBBGFZVDIOCVQI-UHFFFAOYSA-N 2 0 356.492 0.876 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578418296 1275787277 /nfs/dbraw/zinc/78/72/77/1275787277.db2.gz DZZIJXXXNZGHMD-IBGZPJMESA-N 2 0 353.507 0.840 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC001578418239 1275787523 /nfs/dbraw/zinc/78/75/23/1275787523.db2.gz AOBKYJDFWYKJRC-CYBMUJFWSA-N 2 0 352.460 0.513 20 0 FCADRP C[NH+](C)CCOCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCSCC1 ZINC001578419619 1275787906 /nfs/dbraw/zinc/78/79/06/1275787906.db2.gz WNHAECVKFDMNTM-OKILXGFUSA-N 2 0 354.524 0.614 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001578421940 1275789686 /nfs/dbraw/zinc/78/96/86/1275789686.db2.gz MWBZQLWNVOCNJX-XEZPLFJOSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578443954 1275830676 /nfs/dbraw/zinc/83/06/76/1275830676.db2.gz GLQKLIVHZVJHPF-DVOMOZLQSA-N 2 0 372.477 0.673 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CC[NH2+]CC1 ZINC001578461193 1275866329 /nfs/dbraw/zinc/86/63/29/1275866329.db2.gz GPIIIYWJJOYXOZ-UHFFFAOYSA-N 2 0 354.476 0.594 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578472286 1275885131 /nfs/dbraw/zinc/88/51/31/1275885131.db2.gz VFPLGFHCXIQUOY-LALPHHSUSA-N 2 0 358.450 0.331 20 0 FCADRP CN(Cc1ccco1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578525205 1275957758 /nfs/dbraw/zinc/95/77/58/1275957758.db2.gz AYGHCNCTIOJMDF-QWQRMKEZSA-N 2 0 360.462 0.779 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578525099 1275957966 /nfs/dbraw/zinc/95/79/66/1275957966.db2.gz OXZSGVPDDMVIGA-MRXNPFEDSA-N 2 0 353.511 0.175 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001578525933 1275958869 /nfs/dbraw/zinc/95/88/69/1275958869.db2.gz UIFYZADFNHBSTQ-VQIMIIECSA-N 2 0 374.464 0.612 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525901 1275959217 /nfs/dbraw/zinc/95/92/17/1275959217.db2.gz TWPKSAUGXIUNDW-MAUKXSAKSA-N 2 0 364.494 0.038 20 0 FCADRP C[N@@H+]1C[C@@H](CNC(=O)N[C@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578543501 1275970340 /nfs/dbraw/zinc/97/03/40/1275970340.db2.gz XDFAAVYRUHNIBY-RYRKJORJSA-N 2 0 371.485 0.204 20 0 FCADRP C[NH2+]C[C@@H](O)CN(C)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001578647506 1276096356 /nfs/dbraw/zinc/09/63/56/1276096356.db2.gz QODUGZPGGDUVCP-OAHLLOKOSA-N 2 0 356.511 0.632 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001578654517 1276106104 /nfs/dbraw/zinc/10/61/04/1276106104.db2.gz RKDLVUFJHQUWCB-SJORKVTESA-N 2 0 353.511 0.034 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001578668732 1276122321 /nfs/dbraw/zinc/12/23/21/1276122321.db2.gz AOGGGRSWXHXMCE-INIZCTEOSA-N 2 0 350.511 0.868 20 0 FCADRP C[NH2+]CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001578726390 1276201569 /nfs/dbraw/zinc/20/15/69/1276201569.db2.gz VZLXOCNJMHYADC-UHFFFAOYSA-N 2 0 363.510 0.398 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@@H]2CC23C[NH2+]C3)CCC[N@H+](Cc2ccccc2)C1 ZINC001578781992 1276264245 /nfs/dbraw/zinc/26/42/45/1276264245.db2.gz WKOYEYXJVUVSCJ-OXJNMPFZSA-N 2 0 357.454 0.920 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC12C[NH2+]C2 ZINC001578797944 1276286185 /nfs/dbraw/zinc/28/61/85/1276286185.db2.gz VJRAGCXAWPKWJA-HNNXBMFYSA-N 2 0 351.491 0.966 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001578841297 1276359477 /nfs/dbraw/zinc/35/94/77/1276359477.db2.gz BLQULEPWJAILAH-SUKQMUEJSA-N 2 0 350.463 0.535 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](CCS(=O)(=O)Cc1ccccc1)C2 ZINC001578842697 1276362332 /nfs/dbraw/zinc/36/23/32/1276362332.db2.gz RTLUXAYWUBADBQ-SOLBZPMBSA-N 2 0 366.483 0.814 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578973103 1276518848 /nfs/dbraw/zinc/51/88/48/1276518848.db2.gz XPMBELWEPYJGGF-UHFFFAOYSA-N 2 0 369.473 0.757 20 0 FCADRP CN(C(=O)CC[NH+](C)C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578973533 1276520925 /nfs/dbraw/zinc/52/09/25/1276520925.db2.gz RRZSBRYKGRKINF-UHFFFAOYSA-N 2 0 358.450 0.641 20 0 FCADRP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001578973797 1276520993 /nfs/dbraw/zinc/52/09/93/1276520993.db2.gz BODHFJMUQXXOMN-UHFFFAOYSA-N 2 0 358.450 0.641 20 0 FCADRP COCC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[NH2+]CC1 ZINC001578975688 1276526512 /nfs/dbraw/zinc/52/65/12/1276526512.db2.gz VEMANEINSGVBAY-IAGOWNOFSA-N 2 0 353.507 0.887 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977752 1276533794 /nfs/dbraw/zinc/53/37/94/1276533794.db2.gz XKYDSAAABVPIKP-CYBMUJFWSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977851 1276534084 /nfs/dbraw/zinc/53/40/84/1276534084.db2.gz ATJUOQPRGQCXET-OLZOCXBDSA-N 2 0 358.450 0.332 20 0 FCADRP COCC1(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC001578982930 1276547825 /nfs/dbraw/zinc/54/78/25/1276547825.db2.gz RCQAUEJYHZIAQY-UHFFFAOYSA-N 2 0 350.463 0.768 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578984954 1276549398 /nfs/dbraw/zinc/54/93/98/1276549398.db2.gz AQVMHYLDMXBAPY-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578988363 1276562603 /nfs/dbraw/zinc/56/26/03/1276562603.db2.gz WNWFDTLHYICMMD-KOMQPUFPSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-c3nn[nH]n3)n2)C[C@H]1C[NH+](C)C ZINC001578992545 1276567184 /nfs/dbraw/zinc/56/71/84/1276567184.db2.gz ZDIKHHJIQWVURC-CHWSQXEVSA-N 2 0 358.450 0.073 20 0 FCADRP COCC[N@H+](C)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOC[C@@H]1C ZINC001579020446 1276599140 /nfs/dbraw/zinc/59/91/40/1276599140.db2.gz CFHMHGMCFBZJFP-JKSUJKDBSA-N 2 0 366.510 0.548 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CC1=O ZINC001579020676 1276599324 /nfs/dbraw/zinc/59/93/24/1276599324.db2.gz HNHOKXLFNHWHAV-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP COCCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001579021913 1276599612 /nfs/dbraw/zinc/59/96/12/1276599612.db2.gz HNWSCFWXJIYNJJ-OAGGEKHMSA-N 2 0 366.510 0.534 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOC[C@@H]1C ZINC001579020444 1276600004 /nfs/dbraw/zinc/60/00/04/1276600004.db2.gz CFHMHGMCFBZJFP-HOTGVXAUSA-N 2 0 366.510 0.548 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001579022199 1276601723 /nfs/dbraw/zinc/60/17/23/1276601723.db2.gz TZDXUTNIUVWKJG-HRCADAONSA-N 2 0 366.510 0.881 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579027835 1276610562 /nfs/dbraw/zinc/61/05/62/1276610562.db2.gz QTOPQRYYJQUSDS-IRXDYDNUSA-N 2 0 356.511 0.883 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001579120486 1276793005 /nfs/dbraw/zinc/79/30/05/1276793005.db2.gz FUESTKDREOTVRB-XMTFNYHQSA-N 2 0 362.474 0.155 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579171239 1276925554 /nfs/dbraw/zinc/92/55/54/1276925554.db2.gz ADTLBQMAVHKCTO-KRWDZBQOSA-N 2 0 369.473 0.757 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CCC[NH+]1CCC2 ZINC001579214715 1277008971 /nfs/dbraw/zinc/00/89/71/1277008971.db2.gz MXYHBAHYJMPRLS-UHFFFAOYSA-N 2 0 356.434 0.182 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001579214446 1277009479 /nfs/dbraw/zinc/00/94/79/1277009479.db2.gz CVMOSDVLMCKWNN-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579323177 1277140547 /nfs/dbraw/zinc/14/05/47/1277140547.db2.gz QZDFIURVTJSRCL-FHERZECASA-N 2 0 369.473 0.897 20 0 FCADRP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001579325529 1277147560 /nfs/dbraw/zinc/14/75/60/1277147560.db2.gz ICJJMGNAHFDECK-UHFFFAOYSA-N 2 0 372.477 0.888 20 0 FCADRP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325883 1277147921 /nfs/dbraw/zinc/14/79/21/1277147921.db2.gz LDVADDRWPBQLDC-ZDUSSCGKSA-N 2 0 372.477 0.532 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326255 1277149962 /nfs/dbraw/zinc/14/99/62/1277149962.db2.gz NTFSLPQSDNEQDN-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579327675 1277154743 /nfs/dbraw/zinc/15/47/43/1277154743.db2.gz WHPVVPDTDGQNDF-AWEZNQCLSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328808 1277156595 /nfs/dbraw/zinc/15/65/95/1277156595.db2.gz KBSKGYICBJXBBX-MRXNPFEDSA-N 2 0 369.473 0.853 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579328663 1277157630 /nfs/dbraw/zinc/15/76/30/1277157630.db2.gz IWSJJHQFRXMYAI-HZPDHXFCSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001579329974 1277160296 /nfs/dbraw/zinc/16/02/96/1277160296.db2.gz WUFMCWWUTLXRDR-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001579331508 1277161590 /nfs/dbraw/zinc/16/15/90/1277161590.db2.gz FCKGSWNCOPTYPX-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001579332172 1277161773 /nfs/dbraw/zinc/16/17/73/1277161773.db2.gz JTXOGNBHTMQMAG-ZDUSSCGKSA-N 2 0 373.436 0.696 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579334119 1277170785 /nfs/dbraw/zinc/17/07/85/1277170785.db2.gz CLKNHNXXEOLJKZ-MRXNPFEDSA-N 2 0 355.446 0.366 20 0 FCADRP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1-c1nn[nH]n1 ZINC001579334117 1277170830 /nfs/dbraw/zinc/17/08/30/1277170830.db2.gz CIRAZHAEGFIHCE-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335034 1277173528 /nfs/dbraw/zinc/17/35/28/1277173528.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579336185 1277179643 /nfs/dbraw/zinc/17/96/43/1277179643.db2.gz ZTUYEPJTUUGPDN-CYBMUJFWSA-N 2 0 370.461 0.334 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579338372 1277180649 /nfs/dbraw/zinc/18/06/49/1277180649.db2.gz LOIUZJJCUUWECL-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339762 1277183740 /nfs/dbraw/zinc/18/37/40/1277183740.db2.gz LSDPHYKSIQTUEA-UTUOFQBUSA-N 2 0 361.475 0.617 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339968 1277185250 /nfs/dbraw/zinc/18/52/50/1277185250.db2.gz OQFYVUCGLSMBAF-KCPJHIHWSA-N 2 0 373.436 0.694 20 0 FCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340297 1277185911 /nfs/dbraw/zinc/18/59/11/1277185911.db2.gz TYBSFMLEJMXRFC-ZIAGYGMSSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344735 1277195127 /nfs/dbraw/zinc/19/51/27/1277195127.db2.gz RFNQRFIXWWPWGJ-QWHCGFSZSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343913 1277195163 /nfs/dbraw/zinc/19/51/63/1277195163.db2.gz NHYKNCLATSRATB-MLGOLLRUSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347316 1277201086 /nfs/dbraw/zinc/20/10/86/1277201086.db2.gz AXLMUKBESBEMHM-MGPQQGTHSA-N 2 0 370.461 0.332 20 0 FCADRP CN(CC[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC001579350086 1277205882 /nfs/dbraw/zinc/20/58/82/1277205882.db2.gz XJHSHCJCTCANFF-SFHVURJKSA-N 2 0 373.505 0.858 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579356049 1277219268 /nfs/dbraw/zinc/21/92/68/1277219268.db2.gz IVHMFOKLPKMTAM-HOTGVXAUSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579359766 1277233533 /nfs/dbraw/zinc/23/35/33/1277233533.db2.gz CLTSVMXMOQRWNZ-FRFSOERESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363117 1277242408 /nfs/dbraw/zinc/24/24/08/1277242408.db2.gz WCZXGOGHGVFPIV-IJEWVQPXSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579372295 1277256139 /nfs/dbraw/zinc/25/61/39/1277256139.db2.gz SJXZQZNIVITOBA-IAGOWNOFSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001579397037 1277281452 /nfs/dbraw/zinc/28/14/52/1277281452.db2.gz DIVMGTZRZSWQQB-RDJZCZTQSA-N 2 0 350.511 0.809 20 0 FCADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646672 1277714861 /nfs/dbraw/zinc/71/48/61/1277714861.db2.gz OWWHJBWLBPHHJV-QZTJIDSGSA-N 2 0 357.502 0.994 20 0 FCADRP Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CC[NH3+])n1 ZINC001579749292 1277857809 /nfs/dbraw/zinc/85/78/09/1277857809.db2.gz PYPHOFQPLYRCHL-INIZCTEOSA-N 2 0 371.489 0.766 20 0 FCADRP Cn1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2([NH3+])COC2)cn1 ZINC001579950963 1277977095 /nfs/dbraw/zinc/97/70/95/1277977095.db2.gz DWMCLISWRJVEBO-UHFFFAOYSA-N 2 0 374.493 0.327 20 0 FCADRP Cn1cccc1-c1nnc(N2CCO[C@H](C[NH3+])C2)n1CC[NH+]1CCCCC1 ZINC001579974657 1277983040 /nfs/dbraw/zinc/98/30/40/1277983040.db2.gz QOYIDWWHMAIWAO-MRXNPFEDSA-N 2 0 373.505 0.933 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[C@H]([NH3+])C3)c1 ZINC001580169614 1278025142 /nfs/dbraw/zinc/02/51/42/1278025142.db2.gz HZTMOIOMCREQCO-SCRDCRAPSA-N 2 0 352.460 0.474 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]CC(=O)N3CCC3)cc2)CC[N@@H+]1C ZINC001714319319 1287318751 /nfs/dbraw/zinc/31/87/51/1287318751.db2.gz ALQKRKSHGWOUHB-CRAIPNDOSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580272488 1278065079 /nfs/dbraw/zinc/06/50/79/1278065079.db2.gz BFHGTEAOFYELMJ-GUYCJALGSA-N 2 0 369.473 0.803 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580279149 1278078173 /nfs/dbraw/zinc/07/81/73/1278078173.db2.gz MWXVFPJEZUGHKK-ZFWWWQNUSA-N 2 0 357.462 0.803 20 0 FCADRP O=S(=O)(C1C[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001580861546 1279056364 /nfs/dbraw/zinc/05/63/64/1279056364.db2.gz ZKUCCBNBIUSPJV-UHFFFAOYSA-N 2 0 353.488 0.513 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948649 1279153763 /nfs/dbraw/zinc/15/37/63/1279153763.db2.gz YQVWWGFJLHSNHE-UHFFFAOYSA-N 2 0 356.434 0.218 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949439 1279154939 /nfs/dbraw/zinc/15/49/39/1279154939.db2.gz ZXBDEYXLCDWDHE-ZDUSSCGKSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949045 1279155372 /nfs/dbraw/zinc/15/53/72/1279155372.db2.gz LNDKNFFBDQQZNV-LBPRGKRZSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960857 1279164738 /nfs/dbraw/zinc/16/47/38/1279164738.db2.gz GNJRAMFYYODMBC-CYBMUJFWSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962419 1279167099 /nfs/dbraw/zinc/16/70/99/1279167099.db2.gz URBJYHXKAUEPGW-JSGCOSHPSA-N 2 0 356.434 0.359 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962356 1279167664 /nfs/dbraw/zinc/16/76/64/1279167664.db2.gz SXAGUKIICPKDQP-ZDUSSCGKSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968771 1279170640 /nfs/dbraw/zinc/17/06/40/1279170640.db2.gz WUSWBWUEXIYXFA-OAHLLOKOSA-N 2 0 370.461 0.703 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987839 1279187201 /nfs/dbraw/zinc/18/72/01/1279187201.db2.gz FMNUUAVYUSKNDU-STQMWFEESA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990710 1279193226 /nfs/dbraw/zinc/19/32/26/1279193226.db2.gz HMEHLHJIQWNFRG-GXTWGEPZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991298 1279195122 /nfs/dbraw/zinc/19/51/22/1279195122.db2.gz YGYPFOORUJEXBA-OLZOCXBDSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992918 1279197654 /nfs/dbraw/zinc/19/76/54/1279197654.db2.gz BKHRANVDVTWZCT-CYBMUJFWSA-N 2 0 360.466 0.591 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994197 1279200543 /nfs/dbraw/zinc/20/05/43/1279200543.db2.gz RKRRGJUHUZCTSH-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994524 1279200904 /nfs/dbraw/zinc/20/09/04/1279200904.db2.gz OAKWWYNDPBTYNX-ZDUSSCGKSA-N 2 0 370.461 0.537 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004145 1279222685 /nfs/dbraw/zinc/22/26/85/1279222685.db2.gz MPIOUGROSQRMQK-ZIAGYGMSSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004143 1279222905 /nfs/dbraw/zinc/22/29/05/1279222905.db2.gz MPIOUGROSQRMQK-KGLIPLIRSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004482 1279223121 /nfs/dbraw/zinc/22/31/21/1279223121.db2.gz VKHKTWNABQEDDU-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007632 1279227346 /nfs/dbraw/zinc/22/73/46/1279227346.db2.gz BUPHUPUWDQKGMG-LRDDRELGSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007631 1279227842 /nfs/dbraw/zinc/22/78/42/1279227842.db2.gz BUPHUPUWDQKGMG-BLLLJJGKSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007634 1279228612 /nfs/dbraw/zinc/22/86/12/1279228612.db2.gz BUPHUPUWDQKGMG-WBMJQRKESA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011023 1279237120 /nfs/dbraw/zinc/23/71/20/1279237120.db2.gz AYXTVZDUTRMFNL-BBRMVZONSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015820 1279244369 /nfs/dbraw/zinc/24/43/69/1279244369.db2.gz DODYHJBUNNHGGX-HZPDHXFCSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024576 1279256218 /nfs/dbraw/zinc/25/62/18/1279256218.db2.gz JASLTBVXDOOOQC-LRDDRELGSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024408 1279256330 /nfs/dbraw/zinc/25/63/30/1279256330.db2.gz HQWRCHPPMRDVKF-YPMHNXCESA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NCCCNC(=O)CC[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027179 1279260696 /nfs/dbraw/zinc/26/06/96/1279260696.db2.gz MWQMZWLRJWHWEZ-CQSZACIVSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027582 1279261865 /nfs/dbraw/zinc/26/18/65/1279261865.db2.gz VARXTMSEHVZQGM-LBPRGKRZSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030066 1279266516 /nfs/dbraw/zinc/26/65/16/1279266516.db2.gz JYCWKHADKSAVAQ-GFCCVEGCSA-N 2 0 356.434 0.004 20 0 FCADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001715603010 1287358200 /nfs/dbraw/zinc/35/82/00/1287358200.db2.gz SJHHDNDLFISDCT-KURKYZTESA-N 2 0 371.485 0.332 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001716682349 1287386599 /nfs/dbraw/zinc/38/65/99/1287386599.db2.gz NIPYFQKJNSERNJ-RBSFLKMASA-N 2 0 357.520 0.390 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582097798 1281053599 /nfs/dbraw/zinc/05/35/99/1281053599.db2.gz OAURSWGLXQLWLU-OAHLLOKOSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582099253 1281055291 /nfs/dbraw/zinc/05/52/91/1281055291.db2.gz NCACKTKOUOUNNR-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582100261 1281056417 /nfs/dbraw/zinc/05/64/17/1281056417.db2.gz BWZYPWCPWUKXFM-SHTZXODSSA-N 2 0 373.436 0.838 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582100306 1281056991 /nfs/dbraw/zinc/05/69/91/1281056991.db2.gz DSKOXJXHWHKNBJ-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100763 1281057158 /nfs/dbraw/zinc/05/71/58/1281057158.db2.gz NCACKTKOUOUNNR-KOMQPUFPSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001582187223 1281166437 /nfs/dbraw/zinc/16/64/37/1281166437.db2.gz SODQZADVIDLQDM-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001582193223 1281169880 /nfs/dbraw/zinc/16/98/80/1281169880.db2.gz UXIKRKLWTGBFKQ-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582214731 1281195157 /nfs/dbraw/zinc/19/51/57/1281195157.db2.gz XFUCWMVXWOYFNQ-ZDUSSCGKSA-N 2 0 368.445 0.182 20 0 FCADRP O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)C12CC[NH+](CC1)C2 ZINC001582397069 1281460398 /nfs/dbraw/zinc/46/03/98/1281460398.db2.gz ZVHRZPGZYKCFEQ-UHFFFAOYSA-N 2 0 368.445 0.230 20 0 FCADRP CC(C)(C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001589049727 1282786371 /nfs/dbraw/zinc/78/63/71/1282786371.db2.gz FEMPHLTYPQGOKM-UHFFFAOYSA-N 2 0 358.450 0.476 20 0 FCADRP CCN(CCNC(=O)C[NH+]1CCCC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001604304261 1287600328 /nfs/dbraw/zinc/60/03/28/1287600328.db2.gz NQCBIOKPSGFZDY-UHFFFAOYSA-N 2 0 358.450 0.608 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001589814004 1283041863 /nfs/dbraw/zinc/04/18/63/1283041863.db2.gz KTNHRBAMFRNTAH-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC[NH+](C)C ZINC001589828310 1283066718 /nfs/dbraw/zinc/06/67/18/1283066718.db2.gz OJLMAYTYNYJVDS-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270621 1283395280 /nfs/dbraw/zinc/39/52/80/1283395280.db2.gz CWEZVKSLVAGPPD-YWVDXFKGSA-N 2 0 356.434 0.110 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001590269313 1283397116 /nfs/dbraw/zinc/39/71/16/1283397116.db2.gz LYBQVUJMDDSCHW-IYXRBSQSSA-N 2 0 370.461 0.427 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001682287017 1283554573 /nfs/dbraw/zinc/55/45/73/1283554573.db2.gz RQCLZTSZLQHXLM-GVDBMIGSSA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)CC1 ZINC001719069440 1287652106 /nfs/dbraw/zinc/65/21/06/1287652106.db2.gz PTMJXGYODVHAED-JKSUJKDBSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590981745 1284039983 /nfs/dbraw/zinc/03/99/83/1284039983.db2.gz NSVBGURTARJZAM-QGZVFWFLSA-N 2 0 369.473 0.995 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071314 1284130686 /nfs/dbraw/zinc/13/06/86/1284130686.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071316 1284132239 /nfs/dbraw/zinc/13/22/39/1284132239.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071540 1284133070 /nfs/dbraw/zinc/13/30/70/1284133070.db2.gz YYGJSVHAACIJBG-ZDUSSCGKSA-N 2 0 363.491 0.961 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591171212 1284256464 /nfs/dbraw/zinc/25/64/64/1284256464.db2.gz AHQKQCIHFIEHKD-CYBMUJFWSA-N 2 0 370.461 0.428 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C1CC[NH+](C)CC1 ZINC001591171301 1284256938 /nfs/dbraw/zinc/25/69/38/1284256938.db2.gz CEXZTUXHWGKZHC-UHFFFAOYSA-N 2 0 363.491 0.818 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175096 1284261691 /nfs/dbraw/zinc/26/16/91/1284261691.db2.gz GRKZYEFIWHVZSZ-HSWBROFVSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175097 1284262692 /nfs/dbraw/zinc/26/26/92/1284262692.db2.gz GRKZYEFIWHVZSZ-PYLYLYNFSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174898 1284262725 /nfs/dbraw/zinc/26/27/25/1284262725.db2.gz CJYLKKBARWODNN-UONOGXRCSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175746 1284266635 /nfs/dbraw/zinc/26/66/35/1284266635.db2.gz UKIPCWLZWOVYEN-WOMSROEHSA-N 2 0 355.446 0.580 20 0 FCADRP CN(CCCNC(=O)CC1CC[NH+](C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591176951 1284273126 /nfs/dbraw/zinc/27/31/26/1284273126.db2.gz YWADYJCIALSWIW-UHFFFAOYSA-N 2 0 372.477 0.936 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178593 1284276434 /nfs/dbraw/zinc/27/64/34/1284276434.db2.gz WTDLGEKMXUTHAT-IHRRRGAJSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001591187341 1284299378 /nfs/dbraw/zinc/29/93/78/1284299378.db2.gz PQRLLTOZNGJTNX-OAHLLOKOSA-N 2 0 361.425 0.696 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001591187856 1284302536 /nfs/dbraw/zinc/30/25/36/1284302536.db2.gz ULYCETAKAWBFEW-OAHLLOKOSA-N 2 0 361.425 0.696 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001591189177 1284304392 /nfs/dbraw/zinc/30/43/92/1284304392.db2.gz HWUYTUIIQPFRQE-HNNXBMFYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591215425 1284349616 /nfs/dbraw/zinc/34/96/16/1284349616.db2.gz JENXHNGAVXMBKE-AWEZNQCLSA-N 2 0 374.493 0.795 20 0 FCADRP C[NH2+]CCOCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591219199 1284358132 /nfs/dbraw/zinc/35/81/32/1284358132.db2.gz UQCKGSXFFHZJJI-UHFFFAOYSA-N 2 0 359.478 0.657 20 0 FCADRP C[NH+](C)CCCCC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683530 1287730577 /nfs/dbraw/zinc/73/05/77/1287730577.db2.gz HNPYFEMMNWRVTF-UHFFFAOYSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683360 1287729575 /nfs/dbraw/zinc/72/95/75/1287729575.db2.gz SSDUDEZMSJBXBX-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP COc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccc1-c1nn[nH]n1 ZINC001591537534 1284722887 /nfs/dbraw/zinc/72/28/87/1284722887.db2.gz VWEWDIUOXAJUJM-UHFFFAOYSA-N 2 0 359.478 0.991 20 0 FCADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001604688092 1287734038 /nfs/dbraw/zinc/73/40/38/1287734038.db2.gz OTHLUTCZIGIMKN-UHFFFAOYSA-N 2 0 371.449 0.452 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996335 1285046974 /nfs/dbraw/zinc/04/69/74/1285046974.db2.gz GFCVGWUWQIRIHX-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592040169 1285083013 /nfs/dbraw/zinc/08/30/13/1285083013.db2.gz JDYJSPJXBNIRLY-OAHLLOKOSA-N 2 0 356.434 0.099 20 0 FCADRP Cc1cc(NCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049399 1285094110 /nfs/dbraw/zinc/09/41/10/1285094110.db2.gz SZJHGIXOKNSQPI-HNNXBMFYSA-N 2 0 358.450 0.393 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1O ZINC001719118797 1287776918 /nfs/dbraw/zinc/77/69/18/1287776918.db2.gz HZWZLAQOVBTSES-IXDOHACOSA-N 2 0 368.522 0.281 20 0 FCADRP CN(CC1C[NH+](C)C1)c1ccc(-c2nn[nH]n2)c(N(C)CC2C[NH+](C)C2)n1 ZINC001604845861 1287795287 /nfs/dbraw/zinc/79/52/87/1287795287.db2.gz GBJUMCOYWTUIQD-UHFFFAOYSA-N 2 0 371.493 0.257 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)N1CC[NH2+]CC1 ZINC001592784098 1285707150 /nfs/dbraw/zinc/70/71/50/1285707150.db2.gz UKSJUFQJEXKMIJ-OAHLLOKOSA-N 2 0 355.446 0.511 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038325 1285922067 /nfs/dbraw/zinc/92/20/67/1285922067.db2.gz RYXJVJLESTZUPS-RDJZCZTQSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C12CC[NH+](CC1)C2 ZINC001593074712 1285970013 /nfs/dbraw/zinc/97/00/13/1285970013.db2.gz PKHIENUMTDEEFJ-UHFFFAOYSA-N 2 0 373.436 0.698 20 0 FCADRP O=C(NCC[NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H]1C[NH+]2CCC1CC2 ZINC001593089030 1285989149 /nfs/dbraw/zinc/98/91/49/1285989149.db2.gz QTTFCMQXXSPRPV-INIZCTEOSA-N 2 0 355.446 0.414 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001593529723 1286193038 /nfs/dbraw/zinc/19/30/38/1286193038.db2.gz XVMZUYIKHWHIJY-AWEZNQCLSA-N 2 0 371.449 0.236 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)CC[NH+]1C ZINC001704415350 1286248456 /nfs/dbraw/zinc/24/84/56/1286248456.db2.gz VQUDWBZOJBAKKL-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001707221114 1287064602 /nfs/dbraw/zinc/06/46/02/1287064602.db2.gz JQTVZRSWLBYMQQ-CVEARBPZSA-N 2 0 351.495 0.134 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604861584 1287802559 /nfs/dbraw/zinc/80/25/59/1287802559.db2.gz ABBULLGAXUDJGA-QGZVFWFLSA-N 2 0 359.478 0.517 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001605421652 1287952629 /nfs/dbraw/zinc/95/26/29/1287952629.db2.gz QNBPHBZDUXPICC-ZIAGYGMSSA-N 2 0 372.477 0.792 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CCC[NH+]1CCC2 ZINC001605436030 1287963142 /nfs/dbraw/zinc/96/31/42/1287963142.db2.gz LUWFSGQBSLKHCW-GFCCVEGCSA-N 2 0 356.434 0.229 20 0 FCADRP Cc1cc(NCCCNC(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733803 1288065342 /nfs/dbraw/zinc/06/53/42/1288065342.db2.gz MGVVLTUFHDQTJR-UHFFFAOYSA-N 2 0 372.477 0.642 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605742109 1288069638 /nfs/dbraw/zinc/06/96/38/1288069638.db2.gz YBZQUUHQWKKXMH-BETUJISGSA-N 2 0 368.445 0.147 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001719338719 1288100423 /nfs/dbraw/zinc/10/04/23/1288100423.db2.gz XQYINIJKGVFYAZ-GDBMZVCRSA-N 2 0 359.474 0.662 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001721149617 1288300060 /nfs/dbraw/zinc/30/00/60/1288300060.db2.gz SSMYUQHNNGISIF-GVDBMIGSSA-N 2 0 368.522 0.260 20 0 FCADRP O=C(CC[NH+]1CCCCC1)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001606524504 1288361161 /nfs/dbraw/zinc/36/11/61/1288361161.db2.gz JIFFQWMLULQRDK-UHFFFAOYSA-N 2 0 358.450 0.478 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001606546044 1288374660 /nfs/dbraw/zinc/37/46/60/1288374660.db2.gz TVWYMMLEVMFKCJ-VQFNDLOPSA-N 2 0 367.457 0.509 20 0 FCADRP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)C12CCC[NH+]1CCC2 ZINC001606770295 1288503915 /nfs/dbraw/zinc/50/39/15/1288503915.db2.gz UMZQLQPDTSKIHA-UHFFFAOYSA-N 2 0 356.434 0.230 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1cccnc1 ZINC001732342917 1288581740 /nfs/dbraw/zinc/58/17/40/1288581740.db2.gz LCTHJVYYFBYYME-BFYDXBDKSA-N 2 0 361.490 0.380 20 0 FCADRP COc1ccc(F)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732646998 1288588727 /nfs/dbraw/zinc/58/87/27/1288588727.db2.gz WMEPFBHKRGZELZ-DAXOMENPSA-N 2 0 353.438 0.741 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001733449520 1288611567 /nfs/dbraw/zinc/61/15/67/1288611567.db2.gz STVZBYNCMUSWHG-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607099024 1288662116 /nfs/dbraw/zinc/66/21/16/1288662116.db2.gz CXSMIEKNOUXAEX-OAHLLOKOSA-N 2 0 351.414 0.862 20 0 FCADRP OC[C@H]([NH2+]Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(-c2nn[nH]n2)c1)C1CC1 ZINC001607103074 1288663271 /nfs/dbraw/zinc/66/32/71/1288663271.db2.gz MOSCMWWXSPFBQV-HDICACEKSA-N 2 0 372.473 0.588 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CCC1 ZINC001735752109 1288847723 /nfs/dbraw/zinc/84/77/23/1288847723.db2.gz FVVNHIDPCRUZJU-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC001609613675 1289264820 /nfs/dbraw/zinc/26/48/20/1289264820.db2.gz URCCULIGSXVBSN-UHFFFAOYSA-N 2 0 370.505 0.326 20 0 FCADRP c1cc(N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)ccc1-c1nn[nH]n1 ZINC001609614177 1289264989 /nfs/dbraw/zinc/26/49/89/1289264989.db2.gz AVOBHRUVNRMFIR-UHFFFAOYSA-N 2 0 356.478 0.330 20 0 FCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001692097355 1289399305 /nfs/dbraw/zinc/39/93/05/1289399305.db2.gz JIXUUPOHNBTKTD-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692281230 1289440574 /nfs/dbraw/zinc/44/05/74/1289440574.db2.gz WOEHNPXPMOFLRS-BBWFWOEESA-N 2 0 352.523 0.975 20 0 FCADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067833 1289546730 /nfs/dbraw/zinc/54/67/30/1289546730.db2.gz ZVHBCJCDRVEWPG-OTWHNJEPSA-N 2 0 371.485 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NCc3ccco3)CC2)CC[N@@H+]1C ZINC001699651169 1289559900 /nfs/dbraw/zinc/55/99/00/1289559900.db2.gz MJEFBKXCKYNPRY-JKSUJKDBSA-N 2 0 362.474 0.865 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001699652093 1289560121 /nfs/dbraw/zinc/56/01/21/1289560121.db2.gz USFIHFJRUNHNBE-OWCLPIDISA-N 2 0 366.506 0.202 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699751221 1289564751 /nfs/dbraw/zinc/56/47/51/1289564751.db2.gz ODWRXOXEJOALQU-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(CC(=O)OC)nn1 ZINC001621311784 1290032188 /nfs/dbraw/zinc/03/21/88/1290032188.db2.gz UXBXNFBFTUZHQF-INIZCTEOSA-N 2 0 352.483 0.299 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001702324045 1290048105 /nfs/dbraw/zinc/04/81/05/1290048105.db2.gz PPZGOIABYLLPQW-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001739641758 1290284741 /nfs/dbraw/zinc/28/47/41/1290284741.db2.gz VJMVRBLNOVBCAQ-ZACQAIPSSA-N 2 0 368.522 0.279 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001739720313 1290392833 /nfs/dbraw/zinc/39/28/33/1290392833.db2.gz PXTMREGQEZGWPK-QBPKDAKJSA-N 2 0 350.507 0.728 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001753130438 1290620770 /nfs/dbraw/zinc/62/07/70/1290620770.db2.gz WKGPSUNDGVMUDI-SOUVJXGZSA-N 2 0 367.494 0.001 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001755211392 1290643315 /nfs/dbraw/zinc/64/33/15/1290643315.db2.gz RTFWUSGRFIDHOW-XSCHDIRWSA-N 2 0 367.494 0.047 20 0 FCADRP C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525484 1290673073 /nfs/dbraw/zinc/67/30/73/1290673073.db2.gz QMMTZGXNHZYSKN-TVFCKZIOSA-N 2 0 353.507 0.716 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001757474234 1290774498 /nfs/dbraw/zinc/77/44/98/1290774498.db2.gz ZWANWAQBBMEGPD-KSZLIROESA-N 2 0 364.534 0.977 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434869 1291150240 /nfs/dbraw/zinc/15/02/40/1291150240.db2.gz ZAMLZKPDNCWTNP-BBWFWOEESA-N 2 0 371.547 0.543 20 0 FCADRP CC[NH+]1CCC(N2CCCN([C@@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931300 1291380955 /nfs/dbraw/zinc/38/09/55/1291380955.db2.gz LZLRFCIUIKDCGR-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001685620534 1292574780 /nfs/dbraw/zinc/57/47/80/1292574780.db2.gz ZJIDFVTUWDEJNC-KSZLIROESA-N 2 0 368.522 0.510 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001689064908 1294588412 /nfs/dbraw/zinc/58/84/12/1294588412.db2.gz CLFAKMGOCCYWCS-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689076101 1294597198 /nfs/dbraw/zinc/59/71/98/1294597198.db2.gz NMRQKJZIVQKLCV-JFIYKMOQSA-N 2 0 368.522 0.435 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+][C@@H](C)COC)cc(=O)[nH]2)CC[N@@H+]1C ZINC001689139209 1294623441 /nfs/dbraw/zinc/62/34/41/1294623441.db2.gz GNILXCKIJSAOFI-AEGPPILISA-N 2 0 365.478 0.653 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001689186355 1294655376 /nfs/dbraw/zinc/65/53/76/1294655376.db2.gz HOSRINCDMKLMFS-MELADBBJSA-N 2 0 355.483 0.141 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001689238905 1294700380 /nfs/dbraw/zinc/70/03/80/1294700380.db2.gz QLLVKMUHLLPFCG-KURKYZTESA-N 2 0 353.507 0.772 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001690842723 1294886378 /nfs/dbraw/zinc/88/63/78/1294886378.db2.gz BHAKSDCBJAGNDW-MGPQQGTHSA-N 2 0 355.483 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001691501085 1294897196 /nfs/dbraw/zinc/89/71/96/1294897196.db2.gz DYCCGTBNBDMCPK-KLHDSHLOSA-N 2 0 367.538 0.909 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001691659265 1294908043 /nfs/dbraw/zinc/90/80/43/1294908043.db2.gz COMREPMTGPLBAB-JKSUJKDBSA-N 2 0 362.518 0.968 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164617858 719016314 /nfs/dbraw/zinc/01/63/14/719016314.db2.gz QFFVERLQITWLHP-PMPSAXMXSA-N 2 0 359.474 0.563 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001164726645 720519942 /nfs/dbraw/zinc/51/99/42/720519942.db2.gz CIWYUPDLSWVBCV-OAHLLOKOSA-N 2 0 370.505 0.799 20 0 FCADRP [NH3+]Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740757 720821209 /nfs/dbraw/zinc/82/12/09/720821209.db2.gz LFFARPWMSNMCMM-BPQIPLTHSA-N 2 0 368.489 0.906 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc4c(n2)CC[NH2+]C4)CC3)CC1 ZINC001164794995 721510271 /nfs/dbraw/zinc/51/02/71/721510271.db2.gz ZJLUYPDBOHQIFJ-UHFFFAOYSA-N 2 0 368.489 0.086 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077830 837614374 /nfs/dbraw/zinc/61/43/74/837614374.db2.gz MRXAJZOHADQLOJ-ZNMIVQPWSA-N 2 0 350.442 0.464 20 0 FCADRP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070203263 837633401 /nfs/dbraw/zinc/63/34/01/837633401.db2.gz PBEWACDUSXEZDW-KGLIPLIRSA-N 2 0 364.475 0.049 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)CC1 ZINC001070305329 837645474 /nfs/dbraw/zinc/64/54/74/837645474.db2.gz RGPWZDADPNIAEN-CVEARBPZSA-N 2 0 352.458 0.710 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC[N@@H+]1C ZINC001071058774 837721169 /nfs/dbraw/zinc/72/11/69/837721169.db2.gz DNEKGMVCXUYEPD-MLHJIOFPSA-N 2 0 353.507 0.695 20 0 FCADRP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605336 837778198 /nfs/dbraw/zinc/77/81/98/837778198.db2.gz IHBWLSHXTZMQDZ-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230775 844112045 /nfs/dbraw/zinc/11/20/45/844112045.db2.gz IWWNHHZRYJBBEW-GJYPPUQNSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)(O)C[NH+]1CCN(CCCN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000157815254 836019774 /nfs/dbraw/zinc/01/97/74/836019774.db2.gz ZPLQPEYYWAUDDF-UHFFFAOYSA-N 2 0 356.555 0.154 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268472 844126856 /nfs/dbraw/zinc/12/68/56/844126856.db2.gz COEBZGRLHCFTQQ-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101271283 844127987 /nfs/dbraw/zinc/12/79/87/844127987.db2.gz LLYKZQJBTQMDSH-LMMKCTJWSA-N 2 0 353.507 0.650 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101278977 844130607 /nfs/dbraw/zinc/13/06/07/844130607.db2.gz BVBYVGZFQHWDIN-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101277442 844130991 /nfs/dbraw/zinc/13/09/91/844130991.db2.gz IBPZVXNWOQFFOH-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747566700 836249420 /nfs/dbraw/zinc/24/94/20/836249420.db2.gz FAQKLSQOEQAEOC-OKZBNKHCSA-N 2 0 352.523 0.724 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101320339 844146156 /nfs/dbraw/zinc/14/61/56/844146156.db2.gz KGUKINGWBBQVLV-APWZRJJASA-N 2 0 353.507 0.650 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351324 844154765 /nfs/dbraw/zinc/15/47/65/844154765.db2.gz DFASOBKXQXWSIS-FCEWJHQRSA-N 2 0 352.523 0.879 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@@]2(C)C1 ZINC001101350724 844155024 /nfs/dbraw/zinc/15/50/24/844155024.db2.gz ACEVXIQTFQELCW-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345132 844153894 /nfs/dbraw/zinc/15/38/94/844153894.db2.gz VKNQGUHDZJOWSP-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348875 844154660 /nfs/dbraw/zinc/15/46/60/844154660.db2.gz LZTBGAZNRDROLG-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368961 844163729 /nfs/dbraw/zinc/16/37/29/844163729.db2.gz WLKGCZNXMIPHNE-CLCXKQKWSA-N 2 0 352.523 0.879 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402459 844174947 /nfs/dbraw/zinc/17/49/47/844174947.db2.gz JZCLVZAGXDAXFU-AOIWGVFYSA-N 2 0 353.507 0.506 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441208 844187408 /nfs/dbraw/zinc/18/74/08/844187408.db2.gz NTTWBHYXVRNEFX-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444036 844188488 /nfs/dbraw/zinc/18/84/88/844188488.db2.gz UYCMBNCHFUVVEU-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061621995 836701226 /nfs/dbraw/zinc/70/12/26/836701226.db2.gz JZFICWHOOJHFGI-HRCADAONSA-N 2 0 354.495 0.012 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460667 844192495 /nfs/dbraw/zinc/19/24/95/844192495.db2.gz QXFMCRGMSJTDKD-FCEWJHQRSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063721082 836783392 /nfs/dbraw/zinc/78/33/92/836783392.db2.gz DTNADZCBBMSYDP-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982776 844360125 /nfs/dbraw/zinc/36/01/25/844360125.db2.gz JDACMEMMJLTUDL-MUIFIZLQSA-N 2 0 350.507 0.537 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976190 844356635 /nfs/dbraw/zinc/35/66/35/844356635.db2.gz NYYAEEAEIKWBPB-NXHRZFHOSA-N 2 0 353.507 0.675 20 0 FCADRP CCOCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981631 844361037 /nfs/dbraw/zinc/36/10/37/844361037.db2.gz LFCAGTOKNKLEOL-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982853 844361184 /nfs/dbraw/zinc/36/11/84/844361184.db2.gz NNMIMACLDKQAED-QBPKDAKJSA-N 2 0 352.523 0.878 20 0 FCADRP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128942 838753535 /nfs/dbraw/zinc/75/35/35/838753535.db2.gz LPRSHUCSGDEEBE-FGTMMUONSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219295 838822518 /nfs/dbraw/zinc/82/25/18/838822518.db2.gz PIOFKTXBYWQMPH-BRWVUGGUSA-N 2 0 351.491 0.593 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618906 839072552 /nfs/dbraw/zinc/07/25/52/839072552.db2.gz VFIHCYANLORGQP-HUUCEWRRSA-N 2 0 352.504 0.497 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001102066075 844401996 /nfs/dbraw/zinc/40/19/96/844401996.db2.gz DVFHBZVMSBURDR-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077779169 839153708 /nfs/dbraw/zinc/15/37/08/839153708.db2.gz FYUHURIQWVYAAW-KZNAEPCWSA-N 2 0 353.507 0.696 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078880 844406498 /nfs/dbraw/zinc/40/64/98/844406498.db2.gz NAZDARFMKPMCPF-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079227336 839495054 /nfs/dbraw/zinc/49/50/54/839495054.db2.gz NWGRXHONNVUXFL-GVDBMIGSSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079718781 839579943 /nfs/dbraw/zinc/57/99/43/839579943.db2.gz XBGUCJUYVILUIZ-DDBAPUKQSA-N 2 0 353.507 0.552 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001079808185 839597398 /nfs/dbraw/zinc/59/73/98/839597398.db2.gz IEGVTIOBRRTUKH-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290830 844459520 /nfs/dbraw/zinc/45/95/20/844459520.db2.gz WNMGZNDIGWBLSY-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001080705047 839780109 /nfs/dbraw/zinc/78/01/09/839780109.db2.gz ZJPNYZLQSLGFDU-DJIMGWMZSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102373571 844478653 /nfs/dbraw/zinc/47/86/53/844478653.db2.gz ALQPSSCRODOUAK-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894062 840090284 /nfs/dbraw/zinc/09/02/84/840090284.db2.gz JVKBCSOVZFPMNR-GVDBMIGSSA-N 2 0 351.491 0.999 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290057 840280279 /nfs/dbraw/zinc/28/02/79/840280279.db2.gz HARGRIUKRMKWHH-KBAYOESNSA-N 2 0 353.507 0.959 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497487 844531110 /nfs/dbraw/zinc/53/11/10/844531110.db2.gz VIBWUFSKLGQSFK-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082561581 840466138 /nfs/dbraw/zinc/46/61/38/840466138.db2.gz CEZLXLAFSVZXJR-HLLBOEOZSA-N 2 0 371.547 0.732 20 0 FCADRP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1C ZINC001102511373 844542128 /nfs/dbraw/zinc/54/21/28/844542128.db2.gz USBVEIXUPKDUOJ-GDBMZVCRSA-N 2 0 351.495 0.491 20 0 FCADRP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513756 844544838 /nfs/dbraw/zinc/54/48/38/844544838.db2.gz AEVXYDFYPJBXTJ-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513754 844544914 /nfs/dbraw/zinc/54/49/14/844544914.db2.gz ADRRJCLXSLEHRH-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513954 844544927 /nfs/dbraw/zinc/54/49/27/844544927.db2.gz HHDYNQQTBPDPHR-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccns1 ZINC001082653618 840513137 /nfs/dbraw/zinc/51/31/37/840513137.db2.gz UGOZFGBBTJNFMZ-DNBFMWSQSA-N 2 0 362.499 0.943 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082719672 840535704 /nfs/dbraw/zinc/53/57/04/840535704.db2.gz BTHFLUGQELKTMC-IIAWOOMASA-N 2 0 357.520 0.199 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082744187 840544610 /nfs/dbraw/zinc/54/46/10/840544610.db2.gz WTWHVHBFYTUKJB-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082783889 840559204 /nfs/dbraw/zinc/55/92/04/840559204.db2.gz XJRCVECTAYMCBU-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102525274 844553952 /nfs/dbraw/zinc/55/39/52/844553952.db2.gz UJUBKSYTGVLDNM-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082863673 840588360 /nfs/dbraw/zinc/58/83/60/840588360.db2.gz QTQGKAQYDOKFTO-BZUAXINKSA-N 2 0 369.531 0.344 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001082921736 840603787 /nfs/dbraw/zinc/60/37/87/840603787.db2.gz DIZJKPWAUCGLMK-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923648 840605209 /nfs/dbraw/zinc/60/52/09/840605209.db2.gz VPHDOKMQDCBOLV-JKIFEVAISA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082941902 840617338 /nfs/dbraw/zinc/61/73/38/840617338.db2.gz SSKBMQFPZOLVQV-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579860 844574616 /nfs/dbraw/zinc/57/46/16/844574616.db2.gz UKWGZMHZZHASSK-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083213830 840801422 /nfs/dbraw/zinc/80/14/22/840801422.db2.gz UQXXIGZNQMPRPC-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248290 840831666 /nfs/dbraw/zinc/83/16/66/840831666.db2.gz YYRPCTCYEZZBNO-RYQLBKOJSA-N 2 0 351.491 0.809 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083274823 840856663 /nfs/dbraw/zinc/85/66/63/840856663.db2.gz AZZIGPWKLJIKFJ-YESZJQIVSA-N 2 0 351.491 0.809 20 0 FCADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600817 844592889 /nfs/dbraw/zinc/59/28/89/844592889.db2.gz WTIPXWNYARJWHX-ZACQAIPSSA-N 2 0 359.511 0.035 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460339 841026904 /nfs/dbraw/zinc/02/69/04/841026904.db2.gz BYTXYCTVXMDCJT-ZACQAIPSSA-N 2 0 353.507 0.981 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782793 841432014 /nfs/dbraw/zinc/43/20/14/841432014.db2.gz LZILYPAUQDNKRZ-IXDOHACOSA-N 2 0 353.507 0.695 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954433 841600689 /nfs/dbraw/zinc/60/06/89/841600689.db2.gz ZMEHNDNPHRMDJP-KFWWJZLASA-N 2 0 352.504 0.497 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833535 861219386 /nfs/dbraw/zinc/21/93/86/861219386.db2.gz JQQRBMNVWLDYPI-HNAYVOBHSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833440 861220143 /nfs/dbraw/zinc/22/01/43/861220143.db2.gz GHQXFVCRRTUPPB-ZWKOTPCHSA-N 2 0 358.477 0.854 20 0 FCADRP COCCCN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275879868 861243272 /nfs/dbraw/zinc/24/32/72/861243272.db2.gz QMFPPDKCAOONOO-IEBWSBKVSA-N 2 0 353.507 0.916 20 0 FCADRP COC(CN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881237 861247491 /nfs/dbraw/zinc/24/74/91/861247491.db2.gz YIUZQTQWIJMQJO-QAPCUYQASA-N 2 0 355.479 0.250 20 0 FCADRP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084957734 841968879 /nfs/dbraw/zinc/96/88/79/841968879.db2.gz TYWCIVUDSBXODX-NJAFHUGGSA-N 2 0 351.491 0.545 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957695 841970123 /nfs/dbraw/zinc/97/01/23/841970123.db2.gz QTGHDMQLFNJPEV-IKGGRYGDSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC[N@@H+]1C ZINC001086091493 842120324 /nfs/dbraw/zinc/12/03/24/842120324.db2.gz APOTUOQVYICSHN-BQJWPVKWSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086371335 842128249 /nfs/dbraw/zinc/12/82/49/842128249.db2.gz CHYDVPVEZDGIGI-ZHCJQAHYSA-N 2 0 371.547 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC001086370891 842128479 /nfs/dbraw/zinc/12/84/79/842128479.db2.gz DMVIASAYEGDYJC-SMLCLMEVSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC[N@@H+]1C ZINC001086370818 842128666 /nfs/dbraw/zinc/12/86/66/842128666.db2.gz APOTUOQVYICSHN-QUSNUVHPSA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001086659423 842143713 /nfs/dbraw/zinc/14/37/13/842143713.db2.gz VRIMUYBEYGLLLS-GVDBMIGSSA-N 2 0 371.547 0.780 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086695137 842152935 /nfs/dbraw/zinc/15/29/35/842152935.db2.gz COXKLRGVMTUMMA-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001086700259 842153648 /nfs/dbraw/zinc/15/36/48/842153648.db2.gz GYNCPTIUKCNSGA-YYIAUSFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001086875562 842186818 /nfs/dbraw/zinc/18/68/18/842186818.db2.gz XIBXGVLOWSZVCA-SOUVJXGZSA-N 2 0 352.458 0.574 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087084751 842277557 /nfs/dbraw/zinc/27/75/57/842277557.db2.gz QTDUVYSEAJGABT-IXDOHACOSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087100857 842289467 /nfs/dbraw/zinc/28/94/67/842289467.db2.gz IGBOWTPVAIXGIO-RCCFBDPRSA-N 2 0 353.507 0.818 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087101617 842291262 /nfs/dbraw/zinc/29/12/62/842291262.db2.gz SYDLIERGQGGIRD-UKRRQHHQSA-N 2 0 353.492 0.587 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCN1CCNC1=O ZINC001087725939 842415694 /nfs/dbraw/zinc/41/56/94/842415694.db2.gz LFPPFVURRJEIBF-HRCADAONSA-N 2 0 351.495 0.465 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCN1CCCC1=O ZINC001087726672 842416814 /nfs/dbraw/zinc/41/68/14/842416814.db2.gz NYDXRVAXNGKPOS-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(Cc3ccc(O)cc3F)C2)OCC1=O ZINC001276081437 861311386 /nfs/dbraw/zinc/31/13/86/861311386.db2.gz LDHMGWHRKMBHPW-GOSISDBHSA-N 2 0 351.422 0.896 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077152 842524972 /nfs/dbraw/zinc/52/49/72/842524972.db2.gz LSLHERRNYOUBSM-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090867 842530160 /nfs/dbraw/zinc/53/01/60/842530160.db2.gz JRXNHNUFWQGQHE-OIISXLGYSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130191 842538051 /nfs/dbraw/zinc/53/80/51/842538051.db2.gz AEIILDJCFUNORX-IXDOHACOSA-N 2 0 350.507 0.763 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150761 842544640 /nfs/dbraw/zinc/54/46/40/842544640.db2.gz UNAYFMXAPNKLHR-BBWFWOEESA-N 2 0 350.507 0.633 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088605646 842625694 /nfs/dbraw/zinc/62/56/94/842625694.db2.gz ZKUHIXHMKOSMGP-OWCLPIDISA-N 2 0 351.495 0.465 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088858675 842697764 /nfs/dbraw/zinc/69/77/64/842697764.db2.gz OFKCAMDGFJZJAV-KFWWJZLASA-N 2 0 350.463 0.199 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@@H]2C)C1 ZINC001088860480 842698370 /nfs/dbraw/zinc/69/83/70/842698370.db2.gz NITSVWGHBVNOAL-KFWWJZLASA-N 2 0 350.463 0.056 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944281 843127104 /nfs/dbraw/zinc/12/71/04/843127104.db2.gz YCOHKFZLXBHWOS-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736143 843289592 /nfs/dbraw/zinc/28/95/92/843289592.db2.gz MSPLQJJOQVNQON-OAGGEKHMSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937826 843348918 /nfs/dbraw/zinc/34/89/18/843348918.db2.gz XYNGNTOCNLMQOY-IJEWVQPXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093197297 843405769 /nfs/dbraw/zinc/40/57/69/843405769.db2.gz IOFBPOWNPFDUMN-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)o1 ZINC001093243903 843414441 /nfs/dbraw/zinc/41/44/41/843414441.db2.gz UIZUFMAPKDANSQ-ZIAGYGMSSA-N 2 0 350.463 0.904 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093474680 843440833 /nfs/dbraw/zinc/44/08/33/843440833.db2.gz UBYCFNCBPNKMHN-OAFZBRQQSA-N 2 0 351.491 0.041 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001094221238 843532544 /nfs/dbraw/zinc/53/25/44/843532544.db2.gz ZNLCTLNHHZZEPF-BRWVUGGUSA-N 2 0 371.547 0.591 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094430218 843551925 /nfs/dbraw/zinc/55/19/25/843551925.db2.gz HTDHGGHEMSEHDQ-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)CC1 ZINC001095430353 843724284 /nfs/dbraw/zinc/72/42/84/843724284.db2.gz QEAYJKYLCBXHRJ-ZBRFXRBCSA-N 2 0 351.491 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780863 844646196 /nfs/dbraw/zinc/64/61/96/844646196.db2.gz RQMRQEHPROMGIY-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102783044 844647612 /nfs/dbraw/zinc/64/76/12/844647612.db2.gz SRCZOERVMTWDFN-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103111849 844703369 /nfs/dbraw/zinc/70/33/69/844703369.db2.gz RBVYZUNKAKIXQK-OAGGEKHMSA-N 2 0 361.552 0.691 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185664 844718895 /nfs/dbraw/zinc/71/88/95/844718895.db2.gz JQOLAGIUTFGMMP-ZACQAIPSSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378736 844746351 /nfs/dbraw/zinc/74/63/51/844746351.db2.gz HRBMSMSNSURJQL-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398240 844750568 /nfs/dbraw/zinc/75/05/68/844750568.db2.gz JFCGSHZOFAMBHZ-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398238 844750605 /nfs/dbraw/zinc/75/06/05/844750605.db2.gz JDPWQCCALYAOAY-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001103398171 844750766 /nfs/dbraw/zinc/75/07/66/844750766.db2.gz GFJMWBXAMDWTDV-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398536 844751328 /nfs/dbraw/zinc/75/13/28/844751328.db2.gz XJBUVOLFMXONTC-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCCN(CCC[NH+](C)C)C2 ZINC001276608812 861495823 /nfs/dbraw/zinc/49/58/23/861495823.db2.gz FFBRHJSGIZGQLE-CRAIPNDOSA-N 2 0 355.479 0.441 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718939 844806827 /nfs/dbraw/zinc/80/68/27/844806827.db2.gz KZQWWOTUPDQFQZ-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721038 844806851 /nfs/dbraw/zinc/80/68/51/844806851.db2.gz AIUJMOXAYLHQJN-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718938 844806878 /nfs/dbraw/zinc/80/68/78/844806878.db2.gz KZQWWOTUPDQFQZ-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256521 844882762 /nfs/dbraw/zinc/88/27/62/844882762.db2.gz DNWUTUOXSQXYIO-BZUAXINKSA-N 2 0 358.502 0.877 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256522 844883057 /nfs/dbraw/zinc/88/30/57/844883057.db2.gz DNWUTUOXSQXYIO-OAGGEKHMSA-N 2 0 358.502 0.877 20 0 FCADRP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(N)=O ZINC001104385462 844905224 /nfs/dbraw/zinc/90/52/24/844905224.db2.gz XCCDTXGCFWRPMC-OAGGEKHMSA-N 2 0 350.507 0.953 20 0 FCADRP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433586 844910899 /nfs/dbraw/zinc/91/08/99/844910899.db2.gz MFBJUIOTAAGISV-QCZOYZIOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001104599848 844923714 /nfs/dbraw/zinc/92/37/14/844923714.db2.gz ICSRBVLMALGQGL-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001104623909 844927582 /nfs/dbraw/zinc/92/75/82/844927582.db2.gz JKLGQHFIMINSFZ-HLLBOEOZSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001104625487 844927620 /nfs/dbraw/zinc/92/76/20/844927620.db2.gz OYAMXBOCKJDUMD-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001104625248 844927804 /nfs/dbraw/zinc/92/78/04/844927804.db2.gz BPNVAPGHLYIRHN-ZIAGYGMSSA-N 2 0 351.451 0.639 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104625607 844927904 /nfs/dbraw/zinc/92/79/04/844927904.db2.gz UQESRHCRMTUBLA-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001104625486 844928090 /nfs/dbraw/zinc/92/80/90/844928090.db2.gz OYAMXBOCKJDUMD-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104624079 844928182 /nfs/dbraw/zinc/92/81/82/844928182.db2.gz MNTRXPYWYWYRHD-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001104680556 844932509 /nfs/dbraw/zinc/93/25/09/844932509.db2.gz SIOZMKBOCGZWLX-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104754666 844939016 /nfs/dbraw/zinc/93/90/16/844939016.db2.gz HGSMYJQMGCUSOZ-SJLPKXTDSA-N 2 0 355.523 0.801 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832426 844949281 /nfs/dbraw/zinc/94/92/81/844949281.db2.gz AHRRAQAOIQQVCT-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104860976 844952616 /nfs/dbraw/zinc/95/26/16/844952616.db2.gz QYXWMLXRVWLGON-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104924965 844960596 /nfs/dbraw/zinc/96/05/96/844960596.db2.gz VHBXNXWXSCQWGF-HUUCEWRRSA-N 2 0 351.499 0.516 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105651639 845009111 /nfs/dbraw/zinc/00/91/11/845009111.db2.gz IAEFOXGSZRPCHT-NNFUDEMPSA-N 2 0 353.507 0.287 20 0 FCADRP CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001105668033 845015186 /nfs/dbraw/zinc/01/51/86/845015186.db2.gz VZEGAWFPUMUKIL-JOCBIADPSA-N 2 0 359.486 0.500 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105669913 845015970 /nfs/dbraw/zinc/01/59/70/845015970.db2.gz WMLFBHLWWJJSCH-PSBWJHGTSA-N 2 0 355.523 0.677 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675506 845016782 /nfs/dbraw/zinc/01/67/82/845016782.db2.gz PSSAYDLYDNYXRB-ZAWLATJESA-N 2 0 355.523 0.939 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676297 845018290 /nfs/dbraw/zinc/01/82/90/845018290.db2.gz VLVZYCJZNVJIDF-FPAYPSAMSA-N 2 0 355.523 0.675 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001105945222 845064947 /nfs/dbraw/zinc/06/49/47/845064947.db2.gz PNUNTCWKXBWFNI-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCO ZINC001106143543 845114364 /nfs/dbraw/zinc/11/43/64/845114364.db2.gz FWRPJDMAKGFPGC-DDBAPUKQSA-N 2 0 353.507 0.410 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106199800 845130441 /nfs/dbraw/zinc/13/04/41/845130441.db2.gz BMZGQBPMULCUMU-BZUAXINKSA-N 2 0 354.474 0.642 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106271644 845146138 /nfs/dbraw/zinc/14/61/38/845146138.db2.gz JXLCGWLZRHEXMR-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106588134 845201540 /nfs/dbraw/zinc/20/15/40/845201540.db2.gz GVMMMSQZQHRCJH-YUELXQCFSA-N 2 0 350.463 0.903 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106594431 845202795 /nfs/dbraw/zinc/20/27/95/845202795.db2.gz RWBUIZLWQBBKKA-RBSFLKMASA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001106600257 845202990 /nfs/dbraw/zinc/20/29/90/845202990.db2.gz WSPDAHQIKCGTLG-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623002 845206967 /nfs/dbraw/zinc/20/69/67/845206967.db2.gz BWRXLPBFDBDJBL-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627252 845208682 /nfs/dbraw/zinc/20/86/82/845208682.db2.gz ZDAJZFXIXZHODJ-HUUCEWRRSA-N 2 0 351.499 0.609 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106729059 845236109 /nfs/dbraw/zinc/23/61/09/845236109.db2.gz GLXDGHDRRZPZDQ-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106839642 845265000 /nfs/dbraw/zinc/26/50/00/845265000.db2.gz MDTWHXVWDDHXMV-ZIAGYGMSSA-N 2 0 351.451 0.639 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106839635 845266108 /nfs/dbraw/zinc/26/61/08/845266108.db2.gz LZNSXWMHQSRSTE-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880621 845277104 /nfs/dbraw/zinc/27/71/04/845277104.db2.gz MFYJGTJBMXDXBX-ZIAGYGMSSA-N 2 0 370.519 0.914 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106878281 845277147 /nfs/dbraw/zinc/27/71/47/845277147.db2.gz KHRXNSNYZBEPHL-HUUCEWRRSA-N 2 0 356.511 0.163 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106910989 845284851 /nfs/dbraw/zinc/28/48/51/845284851.db2.gz ZIYXNORZENWWLB-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C1CC1 ZINC001106984552 845300967 /nfs/dbraw/zinc/30/09/67/845300967.db2.gz SNQHCEBVGFFCRF-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998591 845307305 /nfs/dbraw/zinc/30/73/05/845307305.db2.gz BOPPAPOSJMMSTA-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)o1 ZINC001107066686 845324854 /nfs/dbraw/zinc/32/48/54/845324854.db2.gz GSTKSEMEVQYCGN-ZIAGYGMSSA-N 2 0 350.463 0.904 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633420 845412055 /nfs/dbraw/zinc/41/20/55/845412055.db2.gz SSEYDXSOFVZSBY-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109399656 845645429 /nfs/dbraw/zinc/64/54/29/845645429.db2.gz QUSRIIMTGUQOHK-BDXSIMOUSA-N 2 0 353.507 0.980 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109866620 845750843 /nfs/dbraw/zinc/75/08/43/845750843.db2.gz KIKLQFTUQCCHIY-IKGGRYGDSA-N 2 0 354.495 0.202 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001110017717 845777059 /nfs/dbraw/zinc/77/70/59/845777059.db2.gz KDODTYSSAQYIDF-QZWWFDLISA-N 2 0 357.495 0.074 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794657 861611994 /nfs/dbraw/zinc/61/19/94/861611994.db2.gz PRIRAFDRWAEUIK-CVEARBPZSA-N 2 0 354.539 0.515 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794438 861612044 /nfs/dbraw/zinc/61/20/44/861612044.db2.gz JSSPQFWGCGDPLM-APWZRJJASA-N 2 0 354.539 0.754 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110661393 845943227 /nfs/dbraw/zinc/94/32/27/845943227.db2.gz QUSRIIMTGUQOHK-MLHJIOFPSA-N 2 0 353.507 0.980 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820132 861631256 /nfs/dbraw/zinc/63/12/56/861631256.db2.gz YRWWFJDUFPTQFO-KSSFIOAISA-N 2 0 355.479 0.318 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001110981603 846007503 /nfs/dbraw/zinc/00/75/03/846007503.db2.gz TZIHZWDXKJVARG-UPJWGTAASA-N 2 0 364.412 0.728 20 0 FCADRP CC[C@H](C)[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276852205 861653490 /nfs/dbraw/zinc/65/34/90/861653490.db2.gz PJGWFQKCBQANOL-HKUYNNGSSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111857946 846233948 /nfs/dbraw/zinc/23/39/48/846233948.db2.gz GSKGKLQOIZIOMA-RYRKJORJSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111861614 846235365 /nfs/dbraw/zinc/23/53/65/846235365.db2.gz VVGOVFOYSJCJEA-VYDXJSESSA-N 2 0 357.520 0.344 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001111864310 846235545 /nfs/dbraw/zinc/23/55/45/846235545.db2.gz KCCJBBNQAVFXSQ-ALKREAHSSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2)CC(C)(C)C ZINC001111873234 846239407 /nfs/dbraw/zinc/23/94/07/846239407.db2.gz PPDCBWPFCIVRHT-LPHOPBHVSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@H](COCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2)[NH+]1CCCC1 ZINC001111875785 846241202 /nfs/dbraw/zinc/24/12/02/846241202.db2.gz DOAZMHZIFUSJAA-AOIWGVFYSA-N 2 0 353.507 0.840 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2)[NH+](C)C ZINC001111874947 846242096 /nfs/dbraw/zinc/24/20/96/846242096.db2.gz IKMGLDKHFGENCJ-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)NC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001276863126 861657034 /nfs/dbraw/zinc/65/70/34/861657034.db2.gz ZGUWSOIGVSLWDC-HZPDHXFCSA-N 2 0 350.507 0.776 20 0 FCADRP CCC(=O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276873931 861663264 /nfs/dbraw/zinc/66/32/64/861663264.db2.gz ZDCZPGMSESJYPS-IBGZPJMESA-N 2 0 350.507 0.527 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112071013 846349297 /nfs/dbraw/zinc/34/92/97/846349297.db2.gz NUTDXXAZSKVPCV-MCIONIFRSA-N 2 0 367.412 0.723 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112154467 846422013 /nfs/dbraw/zinc/42/20/13/846422013.db2.gz NINWTRADGTXMEB-CHWSQXEVSA-N 2 0 355.401 0.316 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154293 846422495 /nfs/dbraw/zinc/42/24/95/846422495.db2.gz DZAUUNJWCAIYQM-YNEHKIRRSA-N 2 0 355.401 0.314 20 0 FCADRP CC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276898798 861676240 /nfs/dbraw/zinc/67/62/40/861676240.db2.gz CZBDREBLAWXNKF-KBAYOESNSA-N 2 0 350.507 0.667 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112190235 846449397 /nfs/dbraw/zinc/44/93/97/846449397.db2.gz QXFGVWUXHKMIAZ-YNEHKIRRSA-N 2 0 366.428 0.784 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001112194280 846453976 /nfs/dbraw/zinc/45/39/76/846453976.db2.gz WJQOBABGHARQSJ-BFHYXJOUSA-N 2 0 367.412 0.580 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112195207 846454412 /nfs/dbraw/zinc/45/44/12/846454412.db2.gz NXPYQCCGUXJVTO-FRRDWIJNSA-N 2 0 366.428 0.961 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112198097 846455785 /nfs/dbraw/zinc/45/57/85/846455785.db2.gz AMQRZOXBPKBTJZ-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206554 846463343 /nfs/dbraw/zinc/46/33/43/846463343.db2.gz UNLMLYLAUZCREA-ZIAGYGMSSA-N 2 0 367.412 0.724 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206632 846463832 /nfs/dbraw/zinc/46/38/32/846463832.db2.gz YOKZEQISSSEKHC-BFHYXJOUSA-N 2 0 367.412 0.580 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CC1 ZINC001112399142 846501112 /nfs/dbraw/zinc/50/11/12/846501112.db2.gz FDEMBYNTWWKITH-SCTDSRPQSA-N 2 0 353.507 0.554 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112397025 846501213 /nfs/dbraw/zinc/50/12/13/846501213.db2.gz PDRJLHYRWUPOSG-VKJFTORMSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413226 846502147 /nfs/dbraw/zinc/50/21/47/846502147.db2.gz CWBUMWJLLFYUEP-ZMMAXQRCSA-N 2 0 355.523 0.798 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518466 846512109 /nfs/dbraw/zinc/51/21/09/846512109.db2.gz KKGXZRPVFRUHNO-VCBZYWHSSA-N 2 0 350.507 0.681 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)C1=O ZINC001112522991 846514251 /nfs/dbraw/zinc/51/42/51/846514251.db2.gz XEAODMHJLAENBK-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564458 846525303 /nfs/dbraw/zinc/52/53/03/846525303.db2.gz UQVFWHAOKITBDC-FCEWJHQRSA-N 2 0 351.491 0.308 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578266 846528897 /nfs/dbraw/zinc/52/88/97/846528897.db2.gz GOVRRELUDQLBKC-GJYPPUQNSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276960956 861708643 /nfs/dbraw/zinc/70/86/43/861708643.db2.gz XFUOEJBXMMZEAE-KRWDZBQOSA-N 2 0 352.523 0.319 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC001117705604 847151497 /nfs/dbraw/zinc/15/14/97/847151497.db2.gz XVYAMMWICYMQIE-MRXNPFEDSA-N 2 0 354.495 0.997 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118121883 847289854 /nfs/dbraw/zinc/28/98/54/847289854.db2.gz KIQHQZKCKUVVGP-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001118147571 847295926 /nfs/dbraw/zinc/29/59/26/847295926.db2.gz HQZMIZBONUTTOW-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)N1CC[NH2+]CC1 ZINC001118223213 847331005 /nfs/dbraw/zinc/33/10/05/847331005.db2.gz OCONDZQYVMKNOJ-CYBMUJFWSA-N 2 0 365.865 0.817 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001119427835 847841148 /nfs/dbraw/zinc/84/11/48/847841148.db2.gz UFOVVJWHFVZKBP-TXEJJXNPSA-N 2 0 364.412 0.715 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001120663812 848266749 /nfs/dbraw/zinc/26/67/49/848266749.db2.gz CGQJXSYIROKENU-UHFFFAOYSA-N 2 0 353.511 0.603 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)NCCN2CCC3(C2)OCCO3)CC1 ZINC001123715872 848628676 /nfs/dbraw/zinc/62/86/76/848628676.db2.gz ZNDDBHGRNXBUOL-UHFFFAOYSA-N 2 0 354.495 0.951 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1C ZINC001127644266 848730074 /nfs/dbraw/zinc/73/00/74/848730074.db2.gz XLAXWFWXFXTNQJ-FRFSOERESA-N 2 0 353.438 0.611 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC001127638629 848730339 /nfs/dbraw/zinc/73/03/39/848730339.db2.gz NWUWGZYNZXZXNR-CZUORRHYSA-N 2 0 353.488 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001127701668 848732384 /nfs/dbraw/zinc/73/23/84/848732384.db2.gz USDZEVRNICCNIY-RWMBFGLXSA-N 2 0 355.401 0.362 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205098 848818209 /nfs/dbraw/zinc/81/82/09/848818209.db2.gz PDFCOXIKELYHMD-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1n1ccnn1 ZINC001129228349 848820584 /nfs/dbraw/zinc/82/05/84/848820584.db2.gz OPZDVBWIDFOKAY-CABCVRRESA-N 2 0 363.491 0.271 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129228340 848820796 /nfs/dbraw/zinc/82/07/96/848820796.db2.gz OIIZPRJZKAUSEA-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129896142 848910533 /nfs/dbraw/zinc/91/05/33/848910533.db2.gz SBLSBFWFZOVLFT-PUZFDUQFSA-N 2 0 352.870 0.856 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1 ZINC001129994259 848927666 /nfs/dbraw/zinc/92/76/66/848927666.db2.gz DHMKDPITUGEWTO-CVEARBPZSA-N 2 0 362.503 0.876 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130047597 848936543 /nfs/dbraw/zinc/93/65/43/848936543.db2.gz JGJNGNYITQNGDP-OLZOCXBDSA-N 2 0 362.400 0.914 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130107157 848945593 /nfs/dbraw/zinc/94/55/93/848945593.db2.gz GKVLRGZHIMOUHO-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137119 848950094 /nfs/dbraw/zinc/95/00/94/848950094.db2.gz KAKLLOYZRZLKLT-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249052 848988871 /nfs/dbraw/zinc/98/88/71/848988871.db2.gz HOMHLVMVSIBHFV-RDBSUJKOSA-N 2 0 350.467 0.245 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130251286 848988912 /nfs/dbraw/zinc/98/89/12/848988912.db2.gz LLFWAKJWHXTKGM-STQMWFEESA-N 2 0 356.446 0.194 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130299004 848997759 /nfs/dbraw/zinc/99/77/59/848997759.db2.gz RNCFXCGZTQNSFH-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130662077 849025306 /nfs/dbraw/zinc/02/53/06/849025306.db2.gz JSFOPUXERINITJ-USXIJHARSA-N 2 0 351.495 0.537 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130706660 849028127 /nfs/dbraw/zinc/02/81/27/849028127.db2.gz RLOGRPQRGKCESV-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n2)O1 ZINC001130790134 849044511 /nfs/dbraw/zinc/04/45/11/849044511.db2.gz JLWYECVFUWWCIK-BFHYXJOUSA-N 2 0 352.483 0.981 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC[NH+](C)C)n2)O1 ZINC001130805397 849046243 /nfs/dbraw/zinc/04/62/43/849046243.db2.gz ZRDKJZFVPXVWPZ-UONOGXRCSA-N 2 0 352.483 0.981 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130812075 849047340 /nfs/dbraw/zinc/04/73/40/849047340.db2.gz ZUSAKYLHKDVOTP-QWHCGFSZSA-N 2 0 356.446 0.542 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131115774 849080483 /nfs/dbraw/zinc/08/04/83/849080483.db2.gz ZZDZEZLRQDZANO-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500316 849114029 /nfs/dbraw/zinc/11/40/29/849114029.db2.gz RINZEQGNVQWOHY-DDBAPUKQSA-N 2 0 353.507 0.959 20 0 FCADRP C[N@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CCC1 ZINC001131511914 849116046 /nfs/dbraw/zinc/11/60/46/849116046.db2.gz CNMJJTDZMUKMBK-MJGOQNOKSA-N 2 0 353.507 0.839 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001131516947 849117108 /nfs/dbraw/zinc/11/71/08/849117108.db2.gz BPBBCGUVCLSNAT-KURKYZTESA-N 2 0 353.507 0.959 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555549 849123211 /nfs/dbraw/zinc/12/32/11/849123211.db2.gz KXJJXNUTQFKRLX-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001131555431 849123448 /nfs/dbraw/zinc/12/34/48/849123448.db2.gz FSBAFCYVNAQRSZ-UNEWFSDZSA-N 2 0 354.495 0.188 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131583125 849126879 /nfs/dbraw/zinc/12/68/79/849126879.db2.gz QUPJEYSAROVZRV-QAPCUYQASA-N 2 0 354.495 0.060 20 0 FCADRP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131605026 849129397 /nfs/dbraw/zinc/12/93/97/849129397.db2.gz SWSLPEXVDKSDEV-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP COc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1OCC(N)=O ZINC001138593795 849314165 /nfs/dbraw/zinc/31/41/65/849314165.db2.gz DBZLBYHXSFPQNB-UHFFFAOYSA-N 2 0 352.479 0.485 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001142791716 849461545 /nfs/dbraw/zinc/46/15/45/849461545.db2.gz MGIDHFDOIIBTME-QGJZQDQRSA-N 2 0 367.437 0.547 20 0 FCADRP COC(=O)c1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC001151536393 849689661 /nfs/dbraw/zinc/68/96/61/849689661.db2.gz MEBHABRKPTUNEO-VXGBXAGGSA-N 2 0 354.476 0.741 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001155226794 849840031 /nfs/dbraw/zinc/84/00/31/849840031.db2.gz DSQXQUVDSZVEFQ-CQSZACIVSA-N 2 0 350.467 0.429 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ncc2c(n1)CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001157094967 849946634 /nfs/dbraw/zinc/94/66/34/849946634.db2.gz BGZVMHVXUIRZAN-CYBMUJFWSA-N 2 0 360.443 0.075 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626164 849984519 /nfs/dbraw/zinc/98/45/19/849984519.db2.gz BHFGMEWEKHWBQZ-UPCLLVRISA-N 2 0 359.536 0.433 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626926 849985452 /nfs/dbraw/zinc/98/54/52/849985452.db2.gz IOITXKNLZXOMCJ-UHFFFAOYSA-N 2 0 353.511 0.991 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001157716669 849989313 /nfs/dbraw/zinc/98/93/13/849989313.db2.gz QMXQZRSMKDQJQY-PMPSAXMXSA-N 2 0 352.504 0.659 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158081704 850016843 /nfs/dbraw/zinc/01/68/43/850016843.db2.gz HNEUHENCXOIYRC-AWEZNQCLSA-N 2 0 355.504 0.131 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248957 850028131 /nfs/dbraw/zinc/02/81/31/850028131.db2.gz KCAHVJYFBLFLLY-DCAQKATOSA-N 2 0 350.385 0.514 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158247939 850028593 /nfs/dbraw/zinc/02/85/93/850028593.db2.gz CXRXYDGLCDPSRU-WDEREUQCSA-N 2 0 350.385 0.645 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158336942 850037418 /nfs/dbraw/zinc/03/74/18/850037418.db2.gz FKCRFHPPUHMWKP-HZSPNIEDSA-N 2 0 355.483 0.047 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001158380122 850041371 /nfs/dbraw/zinc/04/13/71/850041371.db2.gz CMLCKQSJLDTBTE-BPNCWPANSA-N 2 0 351.369 0.480 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CCCC[NH3+])C2 ZINC001158384054 850043296 /nfs/dbraw/zinc/04/32/96/850043296.db2.gz QCSMTORYNFWAAN-KBPBESRZSA-N 2 0 351.369 0.659 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[NH+](CC)CC)C2 ZINC001158384066 850043669 /nfs/dbraw/zinc/04/36/69/850043669.db2.gz QETXTEKCLQHRTM-CABCVRRESA-N 2 0 365.396 0.872 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001158384915 850044277 /nfs/dbraw/zinc/04/42/77/850044277.db2.gz TYJDCHVJKVSJCC-HUUCEWRRSA-N 2 0 365.396 0.870 20 0 FCADRP CCC[C@H]([NH3+])C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001158384467 850044883 /nfs/dbraw/zinc/04/48/83/850044883.db2.gz SXQFUNDVCDYTRO-LEWSCRJBSA-N 2 0 351.369 0.657 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001158412641 850047949 /nfs/dbraw/zinc/04/79/49/850047949.db2.gz SLZNKQYVVPABBJ-FRRDWIJNSA-N 2 0 366.428 0.880 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422795 850049115 /nfs/dbraw/zinc/04/91/15/850049115.db2.gz LQUCRODGNOZFGE-AJNGGQMLSA-N 2 0 352.479 0.083 20 0 FCADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544892 850059448 /nfs/dbraw/zinc/05/94/48/850059448.db2.gz DZBGUKBMFSIUQI-OGHNNQOOSA-N 2 0 363.487 0.146 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001158637479 850062888 /nfs/dbraw/zinc/06/28/88/850062888.db2.gz PDWDIFHOZYSNCU-LRDDRELGSA-N 2 0 351.838 0.507 20 0 FCADRP [NH3+]CCCNCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903091 850083384 /nfs/dbraw/zinc/08/33/84/850083384.db2.gz MGOUMZHTYPZGMZ-GUYCJALGSA-N 2 0 351.426 0.013 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001159134327 850096715 /nfs/dbraw/zinc/09/67/15/850096715.db2.gz MQSGDNPAHNUSST-HUUCEWRRSA-N 2 0 351.495 0.936 20 0 FCADRP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001159127562 850096922 /nfs/dbraw/zinc/09/69/22/850096922.db2.gz TWGVJCJJORZVTQ-UKRRQHHQSA-N 2 0 350.467 0.092 20 0 FCADRP Nc1ncn(C2=CCC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159398337 850111192 /nfs/dbraw/zinc/11/11/92/850111192.db2.gz WPABWROBOFBZER-WCQYABFASA-N 2 0 352.870 0.214 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819199 850138037 /nfs/dbraw/zinc/13/80/37/850138037.db2.gz VWRKNJXJLCNCOM-HIFRSBDPSA-N 2 0 352.479 0.119 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834266 850139420 /nfs/dbraw/zinc/13/94/20/850139420.db2.gz UNSPJDAMNIGGQN-RBSFLKMASA-N 2 0 350.488 0.944 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834269 850139683 /nfs/dbraw/zinc/13/96/83/850139683.db2.gz UODOINIOFYUXRN-GDBMZVCRSA-N 2 0 363.531 0.908 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160444040 850173978 /nfs/dbraw/zinc/17/39/78/850173978.db2.gz USKBKFMDAQKDPI-HNNXBMFYSA-N 2 0 362.499 0.586 20 0 FCADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160536847 850178959 /nfs/dbraw/zinc/17/89/59/850178959.db2.gz BAFMLTPUMWSYGH-OAHLLOKOSA-N 2 0 357.520 0.344 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2cc(Br)cnc2C1 ZINC001160663970 850190087 /nfs/dbraw/zinc/19/00/87/850190087.db2.gz LRBSXWNSSURLHM-ZDUSSCGKSA-N 2 0 368.279 0.437 20 0 FCADRP CCOC(=O)c1cnc2n1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160806645 850199269 /nfs/dbraw/zinc/19/92/69/850199269.db2.gz WDPUFEUOAKDEPE-ZDUSSCGKSA-N 2 0 351.451 0.291 20 0 FCADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001160825089 850202099 /nfs/dbraw/zinc/20/20/99/850202099.db2.gz TYWRXBAAZZTFNW-LBPRGKRZSA-N 2 0 352.435 0.795 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CC(F)(F)C1 ZINC001160967199 850214696 /nfs/dbraw/zinc/21/46/96/850214696.db2.gz KNGXJWCUVPRZLY-ZMNCSTGQSA-N 2 0 350.369 0.291 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)Cc1ccc(F)c(F)c1 ZINC001160999588 850219820 /nfs/dbraw/zinc/21/98/20/850219820.db2.gz HYINBELYOBLYIY-BBRMVZONSA-N 2 0 353.413 0.940 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001161082029 850228130 /nfs/dbraw/zinc/22/81/30/850228130.db2.gz NHIDPCLGQKKFIR-FRRDWIJNSA-N 2 0 364.412 0.715 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001161158542 850236271 /nfs/dbraw/zinc/23/62/71/850236271.db2.gz WNNJNLCGZITSMZ-HNNXBMFYSA-N 3 0 354.495 0.191 20 0 FCADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC001161229312 850241898 /nfs/dbraw/zinc/24/18/98/850241898.db2.gz JCVDQOYDRJLHFN-OFQRWUPVSA-N 2 0 364.515 0.572 20 0 FCADRP C[NH2+][C@@H]1CCCN(CC(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001161321475 850252014 /nfs/dbraw/zinc/25/20/14/850252014.db2.gz GTGJICMUCAOWNE-BRWVUGGUSA-N 2 0 352.523 0.948 20 0 FCADRP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353615 850252925 /nfs/dbraw/zinc/25/29/25/850252925.db2.gz UOSJGQRUAVHHAA-JYJNAYRXSA-N 3 0 353.511 0.033 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)CC1 ZINC001161379254 850255308 /nfs/dbraw/zinc/25/53/08/850255308.db2.gz CXDZLVKDIUQEKV-AWEZNQCLSA-N 2 0 364.519 0.190 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)CC1 ZINC001161379261 850255618 /nfs/dbraw/zinc/25/56/18/850255618.db2.gz CXDZLVKDIUQEKV-CQSZACIVSA-N 2 0 364.519 0.190 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378247 850255643 /nfs/dbraw/zinc/25/56/43/850255643.db2.gz KYUZIQBGHBUSMN-KVSKMBFKSA-N 2 0 350.507 0.559 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429844 850258022 /nfs/dbraw/zinc/25/80/22/850258022.db2.gz ZVSUMVGVANSMJZ-KRWDZBQOSA-N 2 0 364.515 0.921 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444064 850260023 /nfs/dbraw/zinc/26/00/23/850260023.db2.gz BAWIIDPADPACBT-SQNIBIBYSA-N 3 0 351.539 0.203 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](C[C@H](C)O)CC2)CC[N@@H+]1C ZINC001162275497 850307023 /nfs/dbraw/zinc/30/70/23/850307023.db2.gz UMYDQKYNBVHXSF-YESZJQIVSA-N 2 0 355.523 0.942 20 0 FCADRP CS(=O)(=O)c1nc2c(c(NC3CC4(C3)CCC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001162980910 850340869 /nfs/dbraw/zinc/34/08/69/850340869.db2.gz FEBUYDFXVANTJK-UHFFFAOYSA-N 2 0 365.503 0.512 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N1CC[C@@H]([NH3+])C1 ZINC001164279623 850401517 /nfs/dbraw/zinc/40/15/17/850401517.db2.gz SEOWJYSFSIZRRF-UKRRQHHQSA-N 2 0 350.463 0.725 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001164578748 850417056 /nfs/dbraw/zinc/41/70/56/850417056.db2.gz PYHOSGZCISYFPN-LSDHHAIUSA-N 2 0 359.536 0.637 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001164578706 850417750 /nfs/dbraw/zinc/41/77/50/850417750.db2.gz NZPISNGBSIFAHP-HRCADAONSA-N 2 0 350.507 0.871 20 0 FCADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncccc1C(=O)NCCC[NH+](C)C ZINC001167895819 850562568 /nfs/dbraw/zinc/56/25/68/850562568.db2.gz NTAHIXLKTVZHBM-CQSZACIVSA-N 2 0 351.451 0.456 20 0 FCADRP CC[NH+]1CCC(N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001169248838 850610230 /nfs/dbraw/zinc/61/02/30/850610230.db2.gz CPUYHZVERIQWKP-UHFFFAOYSA-N 2 0 355.508 0.622 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc(N3CCC([NH3+])CC3)n2)O1 ZINC001170274102 850648861 /nfs/dbraw/zinc/64/88/61/850648861.db2.gz WDJWJYFYWXJNQY-FMKPAKJESA-N 2 0 350.467 0.541 20 0 FCADRP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001170829685 850666611 /nfs/dbraw/zinc/66/66/11/850666611.db2.gz UFXXRIYKJNOZGR-JQHSSLGASA-N 2 0 355.523 0.990 20 0 FCADRP CCOC(=O)CN(CC[NH3+])c1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001170993338 850672767 /nfs/dbraw/zinc/67/27/67/850672767.db2.gz UCQIFVZMHZSRIM-UHFFFAOYSA-N 2 0 351.451 0.525 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172532 850706972 /nfs/dbraw/zinc/70/69/72/850706972.db2.gz FKJDOCVBJNZBAW-ZJPYXAASSA-N 2 0 351.491 0.809 20 0 FCADRP CCOCC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001172424635 850709773 /nfs/dbraw/zinc/70/97/73/850709773.db2.gz FQQAMQOHJQVJQB-QGZVFWFLSA-N 2 0 354.539 0.972 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]CCOCC[NH3+])CC2=O)c(OC)c1 ZINC001173023364 850717284 /nfs/dbraw/zinc/71/72/84/850717284.db2.gz CSORSVBMTLZBAM-OAHLLOKOSA-N 2 0 351.447 0.760 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001178521696 850904761 /nfs/dbraw/zinc/90/47/61/850904761.db2.gz BOVVREGAXHJIDU-HUUCEWRRSA-N 2 0 362.540 0.142 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001178518008 850904964 /nfs/dbraw/zinc/90/49/64/850904964.db2.gz FGSRWZPVNLRTBJ-ZIAGYGMSSA-N 2 0 352.483 0.215 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001182693575 851193118 /nfs/dbraw/zinc/19/31/18/851193118.db2.gz XJSXTFKJKSNTQW-OWCLPIDISA-N 2 0 353.511 0.615 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC001183556658 851253091 /nfs/dbraw/zinc/25/30/91/851253091.db2.gz KIMFNPKMHCRHPX-IAGOWNOFSA-N 2 0 351.491 0.811 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250461 851345029 /nfs/dbraw/zinc/34/50/29/851345029.db2.gz GREYRHZUYDHGNX-CVEARBPZSA-N 2 0 352.523 0.770 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001278232313 862266468 /nfs/dbraw/zinc/26/64/68/862266468.db2.gz UEFMUDTWSJYRML-ROUUACIJSA-N 2 0 353.507 0.866 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001188314366 851668668 /nfs/dbraw/zinc/66/86/68/851668668.db2.gz INTBRFLKQKZXKQ-GVDBMIGSSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CC(=O)NCC3CCC3)C[C@H]21 ZINC001188957970 851738023 /nfs/dbraw/zinc/73/80/23/851738023.db2.gz ZCPDUPFUBQVRSY-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034352 851744541 /nfs/dbraw/zinc/74/45/41/851744541.db2.gz IRGQGPXQUQYKSC-GVDBMIGSSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001189055460 851746449 /nfs/dbraw/zinc/74/64/49/851746449.db2.gz VEIFRPARRVGCDB-QWHCGFSZSA-N 2 0 364.412 0.539 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055175 851746598 /nfs/dbraw/zinc/74/65/98/851746598.db2.gz ODTZSVLHKNADTJ-LSDHHAIUSA-N 2 0 352.504 0.703 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913717 851841609 /nfs/dbraw/zinc/84/16/09/851841609.db2.gz XOPSQKTZRWUOTH-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001190351363 851894939 /nfs/dbraw/zinc/89/49/39/851894939.db2.gz WKEXTFGLOBBWOS-LSDHHAIUSA-N 2 0 350.463 0.008 20 0 FCADRP CC(C)(C)OC(=O)Nc1ccncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001191264992 852038393 /nfs/dbraw/zinc/03/83/93/852038393.db2.gz YDHOWDILKBPVPZ-UHFFFAOYSA-N 2 0 350.423 0.925 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCSC)CC3)[C@@H]2C1 ZINC001278426718 862326226 /nfs/dbraw/zinc/32/62/26/862326226.db2.gz SJKXEUVPJAWIAU-HZPDHXFCSA-N 2 0 371.547 0.872 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CCCC1 ZINC001193822041 852493963 /nfs/dbraw/zinc/49/39/63/852493963.db2.gz WUXPAXGYXQIFIO-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP CC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102434 852536856 /nfs/dbraw/zinc/53/68/56/852536856.db2.gz KYBNYAOXQUKZTN-MBZYTVFJSA-N 2 0 353.507 0.862 20 0 FCADRP O=C(N[C@@H]1CN(CCOCC(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001194729418 852639853 /nfs/dbraw/zinc/63/98/53/852639853.db2.gz XOCVPZBIBUTHSP-ZIAGYGMSSA-N 2 0 354.357 0.391 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996767 852689870 /nfs/dbraw/zinc/68/98/70/852689870.db2.gz FZWFDEVZDMCZCY-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)CCCC1 ZINC001195006534 852692238 /nfs/dbraw/zinc/69/22/38/852692238.db2.gz KYZRPZMKVQYKGW-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581931 852790502 /nfs/dbraw/zinc/79/05/02/852790502.db2.gz XUKIDDCGTPNQFR-FGTMMUONSA-N 2 0 353.507 0.981 20 0 FCADRP Cc1nc(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cs1 ZINC001195981509 852860016 /nfs/dbraw/zinc/86/00/16/852860016.db2.gz UGPZDOZVRYITGT-BZUAXINKSA-N 2 0 354.520 0.742 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001196168382 852903353 /nfs/dbraw/zinc/90/33/53/852903353.db2.gz JHAAIUBGZJOXQM-DJIMGWMZSA-N 2 0 350.463 0.342 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001196258487 852927057 /nfs/dbraw/zinc/92/70/57/852927057.db2.gz BPMNUBOWQVQMFC-FRRDWIJNSA-N 2 0 355.401 0.457 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644480 853143948 /nfs/dbraw/zinc/14/39/48/853143948.db2.gz OFRAYZYODCPJPV-ZTFGCOKTSA-N 2 0 353.507 0.431 20 0 FCADRP Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948377 853190070 /nfs/dbraw/zinc/19/00/70/853190070.db2.gz HIDHMROGWNNVPG-HUUCEWRRSA-N 2 0 353.467 0.204 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O ZINC001198688021 853301481 /nfs/dbraw/zinc/30/14/81/853301481.db2.gz DCASXSZBOWMOAL-KBAYOESNSA-N 2 0 351.491 0.616 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001198699105 853303996 /nfs/dbraw/zinc/30/39/96/853303996.db2.gz IVOUIWCAFANYAK-USXIJHARSA-N 2 0 353.507 0.552 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001199057977 853362118 /nfs/dbraw/zinc/36/21/18/853362118.db2.gz YYZMYFCMIRVWBB-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644428 853506880 /nfs/dbraw/zinc/50/68/80/853506880.db2.gz LJBZBLAXTZIAAT-GDBMZVCRSA-N 2 0 359.536 0.732 20 0 FCADRP CCC1(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)COC1 ZINC001202949778 853575736 /nfs/dbraw/zinc/57/57/36/853575736.db2.gz SIPQYSCZKKXZGX-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648728 853625519 /nfs/dbraw/zinc/62/55/19/853625519.db2.gz PWNZOIGURIPCGM-GOEBONIOSA-N 2 0 350.438 0.407 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986495 853776600 /nfs/dbraw/zinc/77/66/00/853776600.db2.gz QZJIKLLDFWUQDA-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163951 853901704 /nfs/dbraw/zinc/90/17/04/853901704.db2.gz LILWUALHJZHZPX-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208599425 853958865 /nfs/dbraw/zinc/95/88/65/853958865.db2.gz HKQCALKGEMBROQ-KZNAEPCWSA-N 2 0 351.491 0.666 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209276009 854011468 /nfs/dbraw/zinc/01/14/68/854011468.db2.gz PBCLTYASHWGRKC-IXDOHACOSA-N 2 0 361.527 0.065 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001209450648 854028766 /nfs/dbraw/zinc/02/87/66/854028766.db2.gz PDSAHDHOSQDAEL-SJORKVTESA-N 2 0 358.552 0.923 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cncs1)CC2 ZINC001209546451 854036565 /nfs/dbraw/zinc/03/65/65/854036565.db2.gz FNMXDMTWCPBHNL-UHFFFAOYSA-N 2 0 351.520 0.813 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001209634313 854042728 /nfs/dbraw/zinc/04/27/28/854042728.db2.gz CPEIVJJAJFYXEB-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001209642898 854043256 /nfs/dbraw/zinc/04/32/56/854043256.db2.gz RMZCUMLLYIUXQV-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210041575 854072932 /nfs/dbraw/zinc/07/29/32/854072932.db2.gz VYDMREPIORGXTJ-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277207 854095149 /nfs/dbraw/zinc/09/51/49/854095149.db2.gz QRIFBLLEVXQUKY-BZUAXINKSA-N 2 0 353.511 0.472 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366618 854181817 /nfs/dbraw/zinc/18/18/17/854181817.db2.gz GFYAZIQGYNTMNB-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293539 854430548 /nfs/dbraw/zinc/43/05/48/854430548.db2.gz VYTVFEXIKPZDSD-RCCFBDPRSA-N 2 0 351.491 0.570 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458658 854486098 /nfs/dbraw/zinc/48/60/98/854486098.db2.gz MRSJNGNBOQMLPH-IAGOWNOFSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638660 854694719 /nfs/dbraw/zinc/69/47/19/854694719.db2.gz YNABMMRVVNOESG-USXIJHARSA-N 2 0 357.495 0.074 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730359 854740699 /nfs/dbraw/zinc/74/06/99/854740699.db2.gz MMWSUJMPKUZJLI-IAGOWNOFSA-N 2 0 357.495 0.197 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCC1 ZINC001213730552 854740742 /nfs/dbraw/zinc/74/07/42/854740742.db2.gz QOBYIMAOEPEJMO-IXDOHACOSA-N 2 0 357.495 0.195 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655197 854987157 /nfs/dbraw/zinc/98/71/57/854987157.db2.gz DAFFMASZJSWALL-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747481 855001297 /nfs/dbraw/zinc/00/12/97/855001297.db2.gz QMMMTIWGYUKCJX-BPLDGKMQSA-N 2 0 355.504 0.867 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214780422 855012119 /nfs/dbraw/zinc/01/21/19/855012119.db2.gz ZLRMRFDDVBQURE-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214855242 855022949 /nfs/dbraw/zinc/02/29/49/855022949.db2.gz AUFGSGUSWPKBLH-QKCSRTOESA-N 2 0 364.412 0.442 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214855805 855023636 /nfs/dbraw/zinc/02/36/36/855023636.db2.gz OEAFCADOVXYMFP-OIISXLGYSA-N 2 0 371.547 0.875 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214889843 855028405 /nfs/dbraw/zinc/02/84/05/855028405.db2.gz QDTQIOWFUZMIFH-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001214950743 855038436 /nfs/dbraw/zinc/03/84/36/855038436.db2.gz XCVIMSYRSHZMOH-IJLUTSLNSA-N 2 0 352.401 0.442 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215380798 855106141 /nfs/dbraw/zinc/10/61/41/855106141.db2.gz AGGPRBOHLYRITH-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001215423296 855112756 /nfs/dbraw/zinc/11/27/56/855112756.db2.gz GCOTVNZSFFWMGJ-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001215423340 855112955 /nfs/dbraw/zinc/11/29/55/855112955.db2.gz HUEDGCQPJOBZDV-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)no1 ZINC001215421841 855113111 /nfs/dbraw/zinc/11/31/11/855113111.db2.gz OVIJYCZSQRDZRX-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001215459142 855117425 /nfs/dbraw/zinc/11/74/25/855117425.db2.gz ZFAXOMJEOPKTMI-KWCYVHTRSA-N 2 0 351.451 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001215460939 855118193 /nfs/dbraw/zinc/11/81/93/855118193.db2.gz KCIZKBYOYAMNDA-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001215463376 855118270 /nfs/dbraw/zinc/11/82/70/855118270.db2.gz UMUIWKBEJVGJGO-FRRDWIJNSA-N 2 0 364.412 0.538 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](CC)CC ZINC001215518790 855123644 /nfs/dbraw/zinc/12/36/44/855123644.db2.gz MHTGPGHHBVCLLF-OAGGEKHMSA-N 2 0 353.511 0.569 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215539863 855126707 /nfs/dbraw/zinc/12/67/07/855126707.db2.gz AULDMQMJXYBYJX-RKVPGOIHSA-N 2 0 359.486 0.644 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1)[NH+](C)C ZINC001215575634 855129804 /nfs/dbraw/zinc/12/98/04/855129804.db2.gz VXEUPQGNNFGPHM-UPJWGTAASA-N 2 0 366.428 0.784 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001215994328 855163167 /nfs/dbraw/zinc/16/31/67/855163167.db2.gz ZZZKMYTZYRGGJN-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001215993956 855163303 /nfs/dbraw/zinc/16/33/03/855163303.db2.gz JMPVMEFRGMYAKF-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001215993655 855163448 /nfs/dbraw/zinc/16/34/48/855163448.db2.gz AXLKKXQWKIBAJH-VXGBXAGGSA-N 2 0 354.480 0.255 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216091681 855169676 /nfs/dbraw/zinc/16/96/76/855169676.db2.gz WRCMAGBCBHACCO-NVXWUHKLSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216326764 855192231 /nfs/dbraw/zinc/19/22/31/855192231.db2.gz JIAUAHXISMISQP-RHSMWYFYSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216383369 855196901 /nfs/dbraw/zinc/19/69/01/855196901.db2.gz KYGXLVLAZPAEAA-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001216402299 855199419 /nfs/dbraw/zinc/19/94/19/855199419.db2.gz YWCBGPCMMGWWDR-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001216410365 855200287 /nfs/dbraw/zinc/20/02/87/855200287.db2.gz XGESLYACFVONNK-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216464200 855204599 /nfs/dbraw/zinc/20/45/99/855204599.db2.gz MVSQWIKRRFYGEN-HZPDHXFCSA-N 2 0 356.511 0.308 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216490734 855207230 /nfs/dbraw/zinc/20/72/30/855207230.db2.gz MKWLHSSOPZOULO-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216511603 855209305 /nfs/dbraw/zinc/20/93/05/855209305.db2.gz WMLYKNUZGHYQAE-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)s1 ZINC001216754312 855232880 /nfs/dbraw/zinc/23/28/80/855232880.db2.gz OXKWLTJVFOJSIH-KGYLQXTDSA-N 2 0 366.491 0.173 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)s1 ZINC001216754313 855233010 /nfs/dbraw/zinc/23/30/10/855233010.db2.gz OXKWLTJVFOJSIH-RAIGVLPGSA-N 2 0 366.491 0.173 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757697 855233672 /nfs/dbraw/zinc/23/36/72/855233672.db2.gz IWMYXHMGGWCGKS-IXDOHACOSA-N 2 0 357.495 0.054 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001216772462 855237325 /nfs/dbraw/zinc/23/73/25/855237325.db2.gz CCVSCXMHHMOTGQ-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001216833982 855252469 /nfs/dbraw/zinc/25/24/69/855252469.db2.gz DGFYEPJWHNGOJJ-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C2)o1 ZINC001216952741 855270753 /nfs/dbraw/zinc/27/07/53/855270753.db2.gz AKODIJDNMZIOFK-UKRRQHHQSA-N 2 0 350.463 0.918 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217923238 855382833 /nfs/dbraw/zinc/38/28/33/855382833.db2.gz IDDDFOPVPHIDJN-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@H]1C ZINC001217988394 855388942 /nfs/dbraw/zinc/38/89/42/855388942.db2.gz OIMSTTGKSALWFB-MNOVXSKESA-N 2 0 352.435 0.528 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001218212310 855407095 /nfs/dbraw/zinc/40/70/95/855407095.db2.gz WVRCCVVGJNZXCI-LLVKDONJSA-N 2 0 352.435 0.624 20 0 FCADRP C[N@H+](CCC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21)C1CCCCC1 ZINC001218363138 855418509 /nfs/dbraw/zinc/41/85/09/855418509.db2.gz JIHDZSUIGSWCPG-ZWKOTPCHSA-N 2 0 353.507 0.935 20 0 FCADRP Cc1nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc(C)c1Br ZINC001218512789 855432390 /nfs/dbraw/zinc/43/23/90/855432390.db2.gz ABVWEDPNCDQUQC-NSHDSACASA-N 2 0 371.283 0.545 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533620 855436736 /nfs/dbraw/zinc/43/67/36/855436736.db2.gz QFFXPVIXFKIORZ-DCAQKATOSA-N 2 0 353.492 0.776 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640602 855456144 /nfs/dbraw/zinc/45/61/44/855456144.db2.gz KSDQOYXWPMYJPT-NSHDSACASA-N 2 0 362.356 0.142 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cc(I)c2nccn2c1 ZINC001218677753 855462669 /nfs/dbraw/zinc/46/26/69/855462669.db2.gz RHHNRQLPHGVONW-SNVBAGLBSA-N 2 0 373.198 0.944 20 0 FCADRP NC(=O)c1cc(Br)ccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218842687 855484806 /nfs/dbraw/zinc/48/48/06/855484806.db2.gz BPUPUXFXLTZALN-SNVBAGLBSA-N 2 0 353.220 0.296 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3scc4c3OCCO4)C[C@H]21 ZINC001279136123 862685219 /nfs/dbraw/zinc/68/52/19/862685219.db2.gz XZLFZRSRVNNURX-KGLIPLIRSA-N 2 0 353.488 0.966 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+])N(C(C)=O)CC2 ZINC001218987325 855506407 /nfs/dbraw/zinc/50/64/07/855506407.db2.gz LLSBQOZVPYGHMF-LBPRGKRZSA-N 2 0 352.460 0.562 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001219649461 855754706 /nfs/dbraw/zinc/75/47/06/855754706.db2.gz JISZTHLTHBLQBF-TUAOUCFPSA-N 2 0 352.401 0.524 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795700 855817382 /nfs/dbraw/zinc/81/73/82/855817382.db2.gz DYZRCUBHGMEREX-SFHVURJKSA-N 4 0 353.555 0.815 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219847272 855844678 /nfs/dbraw/zinc/84/46/78/855844678.db2.gz BNBITXVXWHLTRK-LUKYLMHMSA-N 2 0 364.515 0.720 20 0 FCADRP Cn1cc(Br)cc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1=O ZINC001219881362 855859815 /nfs/dbraw/zinc/85/98/15/855859815.db2.gz WPORLSWNTSGDLI-LLVKDONJSA-N 2 0 369.263 0.961 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219904636 855873291 /nfs/dbraw/zinc/87/32/91/855873291.db2.gz JOQXIZKHIWQFSD-XHSDSOJGSA-N 2 0 357.495 0.074 20 0 FCADRP COc1cc(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc(OC)c1 ZINC001219907943 855874779 /nfs/dbraw/zinc/87/47/79/855874779.db2.gz KOZBWEJZYFFIFT-KRWDZBQOSA-N 2 0 350.463 0.113 20 0 FCADRP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939105 855888428 /nfs/dbraw/zinc/88/84/28/855888428.db2.gz RDXFPLONLUDOCP-INIZCTEOSA-N 2 0 370.519 0.934 20 0 FCADRP COC(=O)C1(NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC001220001073 855913069 /nfs/dbraw/zinc/91/30/69/855913069.db2.gz GRWVAABLEFOYAA-LBPRGKRZSA-N 2 0 357.451 0.237 20 0 FCADRP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034549 855928024 /nfs/dbraw/zinc/92/80/24/855928024.db2.gz TYYOPBHLPDXLTJ-XFHVWQCUSA-N 2 0 351.491 0.591 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1F ZINC001220037488 855928777 /nfs/dbraw/zinc/92/87/77/855928777.db2.gz BEGOPEBJIVWNAT-GJZGRUSLSA-N 2 0 351.426 0.284 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CCC([NH3+])CC1 ZINC001220039941 855929716 /nfs/dbraw/zinc/92/97/16/855929716.db2.gz ZBQMJYHGJOTWBO-AEYXLDPTSA-N 2 0 352.479 0.036 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039376 855929786 /nfs/dbraw/zinc/92/97/86/855929786.db2.gz BQBLWKSQIXXHEJ-TXKKKEFDSA-N 3 0 354.495 0.411 20 0 FCADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1F ZINC001220106429 855963956 /nfs/dbraw/zinc/96/39/56/855963956.db2.gz MQSCRZDGAGOSNN-LLVKDONJSA-N 2 0 368.434 0.467 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1 ZINC001220151751 855984059 /nfs/dbraw/zinc/98/40/59/855984059.db2.gz GCIKETUXZZRZTE-XBXGTLAGSA-N 2 0 366.487 0.184 20 0 FCADRP [NH3+][C@H](C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001220318786 856063786 /nfs/dbraw/zinc/06/37/86/856063786.db2.gz BCMMMKQGUIIHBN-YQQAZPJKSA-N 2 0 353.463 0.274 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329397 856068737 /nfs/dbraw/zinc/06/87/37/856068737.db2.gz OMSOIILTFZGBBK-SOUVJXGZSA-N 2 0 352.479 0.119 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C)CC[NH+](C)CC1 ZINC001220345819 856077962 /nfs/dbraw/zinc/07/79/62/856077962.db2.gz PRPGNMYZTFNOOY-KGLIPLIRSA-N 2 0 357.495 0.922 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369348 856089128 /nfs/dbraw/zinc/08/91/28/856089128.db2.gz HJCYAEMPEUUOBM-IKGGRYGDSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)O1 ZINC001220481649 856147548 /nfs/dbraw/zinc/14/75/48/856147548.db2.gz MHHOEMUDHPSLTK-PGZVSCLCSA-N 2 0 355.479 0.376 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001220519297 856163743 /nfs/dbraw/zinc/16/37/43/856163743.db2.gz JKHPJHQATNHWRV-HOTGVXAUSA-N 2 0 370.519 0.320 20 0 FCADRP CC(C)([NH3+])CN(C(=O)C1CC2(C[NH2+]C2)C1)S(=O)(=O)c1ccccc1 ZINC001220535937 856170827 /nfs/dbraw/zinc/17/08/27/856170827.db2.gz QDFDRNRJTDDBMJ-UHFFFAOYSA-N 2 0 351.472 0.941 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606732 856202563 /nfs/dbraw/zinc/20/25/63/856202563.db2.gz CJSKAXQEFGPZEY-VXGBXAGGSA-N 2 0 358.236 0.846 20 0 FCADRP [NH3+]CCNC(=O)/C=C/C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608763 856204020 /nfs/dbraw/zinc/20/40/20/856204020.db2.gz YDFKTSRBBWFTTP-BTDICHCPSA-N 2 0 355.236 0.196 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607899 856204313 /nfs/dbraw/zinc/20/43/13/856204313.db2.gz PLVZWIIVCTZGKK-RYUDHWBXSA-N 2 0 372.267 0.341 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607294 856204929 /nfs/dbraw/zinc/20/49/29/856204929.db2.gz JGTIKTXIKPQFNJ-AAEUAGOBSA-N 2 0 367.247 0.043 20 0 FCADRP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643006 856216895 /nfs/dbraw/zinc/21/68/95/856216895.db2.gz PTVKEXVEIKTSQV-NXHRZFHOSA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001220768635 856290664 /nfs/dbraw/zinc/29/06/64/856290664.db2.gz WFPDWQDHAKWESR-KFWWJZLASA-N 2 0 363.449 0.551 20 0 FCADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)(C1)CCC2 ZINC001220777467 856294369 /nfs/dbraw/zinc/29/43/69/856294369.db2.gz RVQGNKBKSQLUNR-RRQGHBQHSA-N 2 0 355.504 0.321 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803325 856308974 /nfs/dbraw/zinc/30/89/74/856308974.db2.gz DWPXIBWXHLRZKG-MXWKQRLJSA-N 2 0 353.385 0.963 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803324 856309581 /nfs/dbraw/zinc/30/95/81/856309581.db2.gz DWPXIBWXHLRZKG-DCAQKATOSA-N 2 0 353.385 0.963 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2csc(C3CC[NH2+]CC3)n2)C[NH2+]C1 ZINC001220832026 856328946 /nfs/dbraw/zinc/32/89/46/856328946.db2.gz SFXOAKRDMGCSGF-UHFFFAOYSA-N 2 0 350.444 0.760 20 0 FCADRP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])c(Br)c1 ZINC001220847526 856335434 /nfs/dbraw/zinc/33/54/34/856335434.db2.gz WXUFJHZWGRUDBG-GFCCVEGCSA-N 2 0 358.236 0.918 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC001220851281 856336783 /nfs/dbraw/zinc/33/67/83/856336783.db2.gz OOLPWAILZOPIIS-UONOGXRCSA-N 2 0 366.487 0.234 20 0 FCADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917071 856373515 /nfs/dbraw/zinc/37/35/15/856373515.db2.gz LUIPYZQANWSWSC-ROUUACIJSA-N 2 0 351.539 0.508 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930369 856379621 /nfs/dbraw/zinc/37/96/21/856379621.db2.gz PTCFZVVCCZQCNS-YXWQFLTLSA-N 2 0 354.495 0.362 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976146 856404171 /nfs/dbraw/zinc/40/41/71/856404171.db2.gz LOFZAPKBJIYKKD-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220985757 856407373 /nfs/dbraw/zinc/40/73/73/856407373.db2.gz DXRKBYNHSXEXNP-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221007010 856419381 /nfs/dbraw/zinc/41/93/81/856419381.db2.gz RPJCHTLKOJUYEU-JYJNAYRXSA-N 3 0 355.527 0.151 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@H]1CC[C@@H]1[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070472 856447839 /nfs/dbraw/zinc/44/78/39/856447839.db2.gz TUDIUZCSGKBHEW-WYVHVMBXSA-N 2 0 355.479 0.142 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C(C)(C)[NH2+]C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072694 856449012 /nfs/dbraw/zinc/44/90/12/856449012.db2.gz NWWGXOBOHIJYKO-NJVJYBDUSA-N 2 0 357.495 0.403 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073430 856449913 /nfs/dbraw/zinc/44/99/13/856449913.db2.gz WMFXMQDAVFMTLO-HIEASXQVSA-N 2 0 353.507 0.839 20 0 FCADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001221257009 856531501 /nfs/dbraw/zinc/53/15/01/856531501.db2.gz UXVLSMWOPOYYRH-GJZGRUSLSA-N 2 0 353.467 0.070 20 0 FCADRP COc1cccc2c1SC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221303446 856543632 /nfs/dbraw/zinc/54/36/32/856543632.db2.gz LNJMFYSTYBJRSR-HUUCEWRRSA-N 2 0 364.515 0.579 20 0 FCADRP CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359044 856555059 /nfs/dbraw/zinc/55/50/59/856555059.db2.gz ZWVVZWUIHPAPLI-HOTGVXAUSA-N 2 0 352.523 0.724 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC001221404005 856558795 /nfs/dbraw/zinc/55/87/95/856558795.db2.gz FTDLALIFTBCTPU-RCBQFDQVSA-N 2 0 350.463 0.689 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001221403100 856559261 /nfs/dbraw/zinc/55/92/61/856559261.db2.gz PVEOHOQIHAYXCE-NRXISQOPSA-N 2 0 356.511 0.482 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(Cl)cc1 ZINC001221414109 856560457 /nfs/dbraw/zinc/56/04/57/856560457.db2.gz SJEOTCNUSWVKEW-OAGGEKHMSA-N 2 0 355.866 0.798 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(Cl)cc1 ZINC001221414111 856560502 /nfs/dbraw/zinc/56/05/02/856560502.db2.gz SJEOTCNUSWVKEW-XHSDSOJGSA-N 2 0 355.866 0.798 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407869 856560604 /nfs/dbraw/zinc/56/06/04/856560604.db2.gz FFUDXPCSXUVKOY-XQLPTFJDSA-N 2 0 354.495 0.532 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001221644514 856636341 /nfs/dbraw/zinc/63/63/41/856636341.db2.gz MKZYCHAWECWRAJ-IAGOWNOFSA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221664358 856644339 /nfs/dbraw/zinc/64/43/39/856644339.db2.gz QRIKNHVPUTXAFG-FGTMMUONSA-N 2 0 353.507 0.648 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089232 856798992 /nfs/dbraw/zinc/79/89/92/856798992.db2.gz FGKLFYVDUVKAGQ-KZNAEPCWSA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424563 856914504 /nfs/dbraw/zinc/91/45/04/856914504.db2.gz DZVARPKZFKDPDD-KURKYZTESA-N 2 0 355.523 0.894 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223411160 856915836 /nfs/dbraw/zinc/91/58/36/856915836.db2.gz MNJIFJKHRTUUNF-WBVHZDCISA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@H]2C1 ZINC001223429768 856915870 /nfs/dbraw/zinc/91/58/70/856915870.db2.gz ANFYAGWYEGMBBX-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1)[NH+](C)C ZINC001223512926 856923301 /nfs/dbraw/zinc/92/33/01/856923301.db2.gz RZOZOUQDOWPCID-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223726577 856939844 /nfs/dbraw/zinc/93/98/44/856939844.db2.gz JRYOCNYHWKUSHL-WBVHZDCISA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737576 856940765 /nfs/dbraw/zinc/94/07/65/856940765.db2.gz PANONCIKNRJMCD-SQNIBIBYSA-N 2 0 353.507 0.648 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912241 856950938 /nfs/dbraw/zinc/95/09/38/856950938.db2.gz PLHCBXPHGXEJTG-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223978482 856954849 /nfs/dbraw/zinc/95/48/49/856954849.db2.gz ZQLKRRNWNYBDAE-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129171 856961387 /nfs/dbraw/zinc/96/13/87/856961387.db2.gz GBCBQYGPOATQNV-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001224233136 856970258 /nfs/dbraw/zinc/97/02/58/856970258.db2.gz LHMWXVSOPYAIOJ-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001224246228 856973482 /nfs/dbraw/zinc/97/34/82/856973482.db2.gz XAZLDKLIMOCFKC-CVEARBPZSA-N 2 0 351.495 0.275 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346479 857035849 /nfs/dbraw/zinc/03/58/49/857035849.db2.gz NIBXZATUVNATHO-KFWWJZLASA-N 2 0 360.524 0.037 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225345553 857036315 /nfs/dbraw/zinc/03/63/15/857036315.db2.gz AAHGNHVVPVSUCE-BRWVUGGUSA-N 2 0 354.495 0.250 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225379152 857038575 /nfs/dbraw/zinc/03/85/75/857038575.db2.gz XZMRIHXYTAGZLN-OAGGEKHMSA-N 2 0 354.495 0.250 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CCC1 ZINC001226792860 857125818 /nfs/dbraw/zinc/12/58/18/857125818.db2.gz SUUIEYKOMZEDEU-HUUCEWRRSA-N 2 0 351.495 0.513 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)C1CCC1 ZINC001226831154 857127968 /nfs/dbraw/zinc/12/79/68/857127968.db2.gz PFARKGUHCWPFKT-HUUCEWRRSA-N 2 0 360.524 0.037 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226891913 857129514 /nfs/dbraw/zinc/12/95/14/857129514.db2.gz WKBMOFWLEZXODQ-BFHYXJOUSA-N 2 0 353.467 0.073 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)CC1 ZINC001228224025 857197435 /nfs/dbraw/zinc/19/74/35/857197435.db2.gz CZKGIGFKJQFDFF-HZPDHXFCSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001228365759 857206848 /nfs/dbraw/zinc/20/68/48/857206848.db2.gz ITXFUAKRMPRCIH-BZUAXINKSA-N 2 0 354.495 0.250 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228444881 857209898 /nfs/dbraw/zinc/20/98/98/857209898.db2.gz HZOCBXDHHJSCCU-UMVBOHGHSA-N 2 0 355.483 0.045 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+](CC)CC ZINC001228559370 857215309 /nfs/dbraw/zinc/21/53/09/857215309.db2.gz QGBHZNVOPKNEIH-MGPQQGTHSA-N 2 0 355.483 0.319 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229213875 857259069 /nfs/dbraw/zinc/25/90/69/857259069.db2.gz MRGUCGMGDNLEGR-MGPQQGTHSA-N 2 0 355.483 0.189 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC001229693869 857281734 /nfs/dbraw/zinc/28/17/34/857281734.db2.gz XMCODPSHVMEBNI-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001229693293 857282135 /nfs/dbraw/zinc/28/21/35/857282135.db2.gz QYNIECYEZGMOIG-USXIJHARSA-N 2 0 350.507 0.871 20 0 FCADRP Cc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)[nH]1 ZINC001229717259 857284129 /nfs/dbraw/zinc/28/41/29/857284129.db2.gz PEQIRPOAWWLMHW-NWANDNLSSA-N 2 0 352.483 0.769 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C)C(=O)NC(N)=O ZINC001229807408 857287371 /nfs/dbraw/zinc/28/73/71/857287371.db2.gz AXSPOPMZTSFPDH-MGPQQGTHSA-N 2 0 355.483 0.319 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229837744 857289231 /nfs/dbraw/zinc/28/92/31/857289231.db2.gz QXMXNXROEWEJSR-MGPQQGTHSA-N 2 0 355.483 0.319 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001229860063 857290158 /nfs/dbraw/zinc/29/01/58/857290158.db2.gz LFROONQJRUMUJX-CHWSQXEVSA-N 2 0 368.507 0.835 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229877678 857291295 /nfs/dbraw/zinc/29/12/95/857291295.db2.gz WSDSWYNXFGROQF-ZIAGYGMSSA-N 2 0 351.451 0.972 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138039 857305915 /nfs/dbraw/zinc/30/59/15/857305915.db2.gz DDWJJLINQHRPSU-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC001230149342 857308067 /nfs/dbraw/zinc/30/80/67/857308067.db2.gz FCIZXMJICPINOJ-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP Clc1nc(N2CCOCC2)sc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234987041 857416866 /nfs/dbraw/zinc/41/68/66/857416866.db2.gz MDCFCIOJKDFYLV-HNNXBMFYSA-N 2 0 357.911 0.770 20 0 FCADRP Cc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1Br ZINC001235871963 857433641 /nfs/dbraw/zinc/43/36/41/857433641.db2.gz VHLUBOPYWKKGMW-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP Clc1nc2[nH]cc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2c(Cl)n1 ZINC001235874430 857434529 /nfs/dbraw/zinc/43/45/29/857434529.db2.gz JGCNJOURICEZJT-UHFFFAOYSA-N 2 0 372.304 0.801 20 0 FCADRP COC(=O)c1c(Cl)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235876431 857434678 /nfs/dbraw/zinc/43/46/78/857434678.db2.gz YKEKBRUCXMVTQK-UHFFFAOYSA-N 2 0 354.882 0.711 20 0 FCADRP Cc1cnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1Br ZINC001236310265 857439142 /nfs/dbraw/zinc/43/91/42/857439142.db2.gz GOSLNCMVBHRJIS-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(Br)c[nH]c1=O ZINC001236312253 857439712 /nfs/dbraw/zinc/43/97/12/857439712.db2.gz OVEUQSJEMCQVTO-UHFFFAOYSA-N 2 0 374.283 0.166 20 0 FCADRP CC1(C)O[C@@H]2O[C@@H](CN3CCC([NH+]4CCC([NH3+])CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236582977 857442272 /nfs/dbraw/zinc/44/22/72/857442272.db2.gz SRHGRGWVIKJPOA-YVSFHVDLSA-N 2 0 355.479 0.111 20 0 FCADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001237651652 857456266 /nfs/dbraw/zinc/45/62/66/857456266.db2.gz BISXGGLDCMTIAT-UHFFFAOYSA-N 2 0 352.382 0.815 20 0 FCADRP O=S(=O)(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001238201488 857463790 /nfs/dbraw/zinc/46/37/90/857463790.db2.gz GMOILHGBILZASJ-HIFRSBDPSA-N 2 0 351.472 0.914 20 0 FCADRP CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)s1 ZINC001238244252 857466361 /nfs/dbraw/zinc/46/63/61/857466361.db2.gz ZAUHRYWFMICECY-LLVKDONJSA-N 2 0 373.504 0.254 20 0 FCADRP COc1cccc(CC2(CNS(=O)(=O)[C@H]3CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001238822138 857481404 /nfs/dbraw/zinc/48/14/04/857481404.db2.gz KZWGRELNQHLRLB-KRWDZBQOSA-N 2 0 367.515 0.889 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001239149243 857522389 /nfs/dbraw/zinc/52/23/89/857522389.db2.gz FAACCVUMEZPQBS-KRWDZBQOSA-N 2 0 352.504 0.965 20 0 FCADRP COc1ccc(CN(C2CC[NH2+]CC2)S(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC001239145649 857522421 /nfs/dbraw/zinc/52/24/21/857522421.db2.gz HPODZZOMVCQKFO-KRWDZBQOSA-N 2 0 353.488 0.941 20 0 FCADRP CCOC(=O)[C@H](CCSC)NC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239218217 857524769 /nfs/dbraw/zinc/52/47/69/857524769.db2.gz XEYYKVPVKBJHFX-KBPBESRZSA-N 2 0 372.535 0.845 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239253107 857525643 /nfs/dbraw/zinc/52/56/43/857525643.db2.gz NWALEHCULCPNNF-MRXNPFEDSA-N 2 0 350.463 0.789 20 0 FCADRP Cc1cc(NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1F ZINC001239452365 857530006 /nfs/dbraw/zinc/53/00/06/857530006.db2.gz OYFXZFGSGVBIAI-UHFFFAOYSA-N 2 0 355.483 0.947 20 0 FCADRP O=S(=O)(c1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1)C1C[NH2+]C1 ZINC001242397151 857543692 /nfs/dbraw/zinc/54/36/92/857543692.db2.gz PDASWANUFIRMJJ-UHFFFAOYSA-N 2 0 358.467 0.904 20 0 FCADRP O[C@H](CNc1ccc(N2CC[NH2+]CC2)c(F)c1)CC1(O)CC[NH2+]CC1 ZINC001245962076 857561918 /nfs/dbraw/zinc/56/19/18/857561918.db2.gz RMESVFPQASTIIK-HNNXBMFYSA-N 2 0 352.454 0.513 20 0 FCADRP CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246004380 857563340 /nfs/dbraw/zinc/56/33/40/857563340.db2.gz CIQJXNSOJCRGMF-CABCVRRESA-N 2 0 353.463 0.786 20 0 FCADRP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001246018440 857564564 /nfs/dbraw/zinc/56/45/64/857564564.db2.gz DLGUSDIERJRFDU-PKOBYXMFSA-N 2 0 352.475 0.791 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001246018630 857564815 /nfs/dbraw/zinc/56/48/15/857564815.db2.gz HCLKWLNVAKYHJP-MAUKXSAKSA-N 2 0 351.447 0.314 20 0 FCADRP COC(=O)C[C@@H]1C[NH2+]CCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246042498 857566394 /nfs/dbraw/zinc/56/63/94/857566394.db2.gz CAPVGCFUALUODL-OWCLPIDISA-N 2 0 357.401 0.032 20 0 FCADRP COC(=O)C1C[C@@H]2CC(NC[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C[C@H](C1)[NH2+]2 ZINC001246145143 857569474 /nfs/dbraw/zinc/56/94/74/857569474.db2.gz LSXPAFVXMOXSTM-AEFXTWNNSA-N 3 0 350.507 0.522 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1C(=O)OC ZINC001246138160 857569598 /nfs/dbraw/zinc/56/95/98/857569598.db2.gz ATXOHVHWXQHQRU-TUVASFSCSA-N 2 0 353.463 0.191 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246159699 857570439 /nfs/dbraw/zinc/57/04/39/857570439.db2.gz ZFTDUEQCDPKRLQ-NJGHQYNVSA-N 3 0 351.491 0.807 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)OCC)NC1)C1CC[NH2+]CC1 ZINC001246230819 857571352 /nfs/dbraw/zinc/57/13/52/857571352.db2.gz SSLWYAVMOQHBHK-JYJNAYRXSA-N 2 0 355.479 0.581 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCN[C@H](C(=O)OCC)C1)C1CC[NH2+]CC1 ZINC001246226714 857571391 /nfs/dbraw/zinc/57/13/91/857571391.db2.gz JCTTZVOHWXKENE-OAGGEKHMSA-N 2 0 355.479 0.581 20 0 FCADRP CC(C)(C)OC(=O)CN1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246218135 857571454 /nfs/dbraw/zinc/57/14/54/857571454.db2.gz MGWBLNKXZIZVMW-UHFFFAOYSA-N 2 0 352.523 0.818 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246216605 857571710 /nfs/dbraw/zinc/57/17/10/857571710.db2.gz MKNOOEGQTKGBQN-UHFFFAOYSA-N 3 0 359.511 0.133 20 0 FCADRP O=C([C@@H]1C[C@H](NC2(C(F)(F)F)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246261008 857573072 /nfs/dbraw/zinc/57/30/72/857573072.db2.gz OVIIDVYPZPIUKB-QWRGUYRKSA-N 2 0 352.426 0.524 20 0 FCADRP O=C(C1CCOCC1)N1CCC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246366240 857575160 /nfs/dbraw/zinc/57/51/60/857575160.db2.gz NPGLPOYVYUOYON-QGZVFWFLSA-N 2 0 350.507 0.335 20 0 FCADRP CS(=O)(=O)N1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001246519190 857583565 /nfs/dbraw/zinc/58/35/65/857583565.db2.gz NJYQIPLUYINAOI-HNNXBMFYSA-N 2 0 360.524 0.120 20 0 FCADRP O=C([C@@H]1C[C@@H](N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246660930 857588294 /nfs/dbraw/zinc/58/82/94/857588294.db2.gz CNLNKTYXHVKPEP-LAVFITLUSA-N 2 0 358.511 0.821 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697126 857590753 /nfs/dbraw/zinc/59/07/53/857590753.db2.gz UBZKASKKBIFBKO-IXDOHACOSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736218 857594874 /nfs/dbraw/zinc/59/48/74/857594874.db2.gz KFGVIRQORGSYNU-FAJBIJEISA-N 2 0 351.491 0.714 20 0 FCADRP CCN1CC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)[C@@H](COC)C1=O ZINC001246738104 857595735 /nfs/dbraw/zinc/59/57/35/857595735.db2.gz FLQPMNSCEIJWGB-CVEARBPZSA-N 2 0 350.507 0.287 20 0 FCADRP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC001246760953 857598134 /nfs/dbraw/zinc/59/81/34/857598134.db2.gz RRIKZOZSRYGMMG-ZJIFWQFVSA-N 2 0 362.499 0.271 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001246925865 857606497 /nfs/dbraw/zinc/60/64/97/857606497.db2.gz PUSKLGDMFLSUCL-JWTNVVGKSA-N 3 0 351.539 0.508 20 0 FCADRP CCOCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246951612 857606554 /nfs/dbraw/zinc/60/65/54/857606554.db2.gz VDCJRDKINZREGK-CVEARBPZSA-N 2 0 356.536 0.340 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)C(F)(F)F)CC2 ZINC001250968517 857672993 /nfs/dbraw/zinc/67/29/93/857672993.db2.gz CBJDOAMAGRECNZ-ZDUSSCGKSA-N 2 0 366.428 0.080 20 0 FCADRP C[NH+](C)CCCN1CC[NH+](C[C@@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251578897 857732550 /nfs/dbraw/zinc/73/25/50/857732550.db2.gz DWCUAEXOEMZFDZ-CYBMUJFWSA-N 2 0 359.408 0.834 20 0 FCADRP CC(C)S(=O)(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001252500225 857817074 /nfs/dbraw/zinc/81/70/74/857817074.db2.gz JNEZRZSSMFIXMI-UHFFFAOYSA-N 2 0 372.579 0.901 20 0 FCADRP CC(C)OC[C@H](O)C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252676311 857830814 /nfs/dbraw/zinc/83/08/14/857830814.db2.gz FIKHPUZJKPXPLQ-MRXNPFEDSA-N 2 0 354.495 0.953 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001253408724 857887089 /nfs/dbraw/zinc/88/70/89/857887089.db2.gz YOIFJUOTKGMZOQ-HNNXBMFYSA-N 2 0 370.519 0.573 20 0 FCADRP CS(=O)(=O)N1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254049963 857936477 /nfs/dbraw/zinc/93/64/77/857936477.db2.gz WIXMPTRUNYUOCL-UHFFFAOYSA-N 2 0 353.488 0.247 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803437 857986025 /nfs/dbraw/zinc/98/60/25/857986025.db2.gz BELBVWYUSVLBRZ-QWHCGFSZSA-N 2 0 357.451 0.492 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254845787 857988249 /nfs/dbraw/zinc/98/82/49/857988249.db2.gz QCMPNRWPPGLYEU-SFHVURJKSA-N 2 0 359.511 0.085 20 0 FCADRP O=S(=O)(N[C@H]1CC2CC[NH+](CC2)C1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001254856893 857989386 /nfs/dbraw/zinc/98/93/86/857989386.db2.gz WWFVMDTUGKNTHO-INIZCTEOSA-N 2 0 364.515 0.859 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254930391 857991485 /nfs/dbraw/zinc/99/14/85/857991485.db2.gz ANAXIRGTNPJUPB-FVQHAEBGSA-N 2 0 358.479 0.359 20 0 FCADRP CCOC(=O)N1CC[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])C1 ZINC001256016718 858047749 /nfs/dbraw/zinc/04/77/49/858047749.db2.gz KDVKGNIOCLODBK-INIZCTEOSA-N 2 0 361.483 0.596 20 0 FCADRP C[C@@H](Cc1ccccn1)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001256405941 858079005 /nfs/dbraw/zinc/07/90/05/858079005.db2.gz QYEZVLLRWORJDQ-KRWDZBQOSA-N 2 0 355.479 0.627 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001256998540 858112327 /nfs/dbraw/zinc/11/23/27/858112327.db2.gz CYXAUFOKCVGOQO-UHFFFAOYSA-N 2 0 358.479 0.945 20 0 FCADRP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](CC4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001279625707 862986247 /nfs/dbraw/zinc/98/62/47/862986247.db2.gz HMPFQGWCPGSIFG-JKSUJKDBSA-N 2 0 367.519 0.457 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001261523264 858578673 /nfs/dbraw/zinc/57/86/73/858578673.db2.gz SBUFPSBPGNMVNX-LPHOPBHVSA-N 2 0 350.507 0.812 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2CCN1CCOCC1 ZINC001279771492 863053803 /nfs/dbraw/zinc/05/38/03/863053803.db2.gz KMTGTFOWQRZYIM-MJGOQNOKSA-N 2 0 352.523 0.583 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C12CC([NH2+]CCN3CCOCC3)(C1)C2 ZINC001279772840 863054920 /nfs/dbraw/zinc/05/49/20/863054920.db2.gz UHLMFEZHXGSOIX-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001262890610 859063938 /nfs/dbraw/zinc/06/39/38/859063938.db2.gz XSMTWSIOTVVNRX-ZDUSSCGKSA-N 2 0 350.467 0.859 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001264650072 859414399 /nfs/dbraw/zinc/41/43/99/859414399.db2.gz DNKYSQQSHOPPHP-CVEARBPZSA-N 2 0 359.536 0.543 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264651384 859414950 /nfs/dbraw/zinc/41/49/50/859414950.db2.gz ASKUTFADSBNJBI-IXDOHACOSA-N 2 0 355.523 0.752 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096550 859651157 /nfs/dbraw/zinc/65/11/57/859651157.db2.gz VWRRIGMPBZFJCD-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001270332507 859719327 /nfs/dbraw/zinc/71/93/27/859719327.db2.gz KKMXNBDHCAGWEJ-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP CN1CCCC[C@H]1C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001271140150 859904553 /nfs/dbraw/zinc/90/45/53/859904553.db2.gz OTBFLXBTMTZYQP-IAOVAPTHSA-N 2 0 358.433 0.133 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500597 860509803 /nfs/dbraw/zinc/50/98/03/860509803.db2.gz BVQIOOVWNYVKRO-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+]1CCC(C)(C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001274083603 860675111 /nfs/dbraw/zinc/67/51/11/860675111.db2.gz JEZDKTNJSLUGJN-UHFFFAOYSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC001274156265 860693950 /nfs/dbraw/zinc/69/39/50/860693950.db2.gz AWFDMLZGOZJWQT-HOCLYGCPSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001275053821 860920555 /nfs/dbraw/zinc/92/05/55/860920555.db2.gz QOLRAURYFXOECR-IBGZPJMESA-N 2 0 354.539 0.973 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[C@@H]([NH+](C)C)C3)(C1)CCC2 ZINC001275226588 860992817 /nfs/dbraw/zinc/99/28/17/860992817.db2.gz QQDZNEITWJTQFR-QGWWYQLQSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CCCC3OCCO3)C2)C1=O ZINC001275292623 861018540 /nfs/dbraw/zinc/01/85/40/861018540.db2.gz DDPFIHQZBOKCSG-GOSISDBHSA-N 2 0 353.463 0.542 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2CC(C)(C)N2CCOCC2)C1=O ZINC001275515308 861119034 /nfs/dbraw/zinc/11/90/34/861119034.db2.gz KABSPMHKIYXUMS-LJQANCHMSA-N 2 0 352.523 0.726 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556131 861127922 /nfs/dbraw/zinc/12/79/22/861127922.db2.gz GVSWKTOAKQTHKP-LJQANCHMSA-N 2 0 350.507 0.920 20 0 FCADRP CC1(C)OC[C@H](CN2C(=O)COCC23C[NH+](CC2CC[NH2+]CC2)C3)O1 ZINC001275737800 861180679 /nfs/dbraw/zinc/18/06/79/861180679.db2.gz OIEXUVPHWHJKMO-HNNXBMFYSA-N 2 0 353.463 0.051 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001275743825 861187868 /nfs/dbraw/zinc/18/78/68/861187868.db2.gz YNPXOXFGHRVXMD-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001279975087 863160036 /nfs/dbraw/zinc/16/00/36/863160036.db2.gz AOJHPHSCHKAEBP-OAHLLOKOSA-N 2 0 365.547 0.051 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001279975819 863161622 /nfs/dbraw/zinc/16/16/22/863161622.db2.gz QQTQYANEDYYBGW-KRWDZBQOSA-N 2 0 357.568 0.151 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001279992876 863171146 /nfs/dbraw/zinc/17/11/46/863171146.db2.gz FZTZZSZQEDNMLI-GOSISDBHSA-N 2 0 369.579 0.879 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC001280026670 863198603 /nfs/dbraw/zinc/19/86/03/863198603.db2.gz BPLYSPXKQRMINS-UHFFFAOYSA-N 2 0 350.507 0.875 20 0 FCADRP COCCC[N@@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280096576 863264018 /nfs/dbraw/zinc/26/40/18/863264018.db2.gz OWKVXUPTEDNSFC-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001280138201 863288295 /nfs/dbraw/zinc/28/82/95/863288295.db2.gz VJGAJWYJLQGSGS-FXUDXRNXSA-N 2 0 357.520 0.151 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1COCCC12CN(CC[NH+](C)C)C2 ZINC001280221180 863344856 /nfs/dbraw/zinc/34/48/56/863344856.db2.gz NMVGNYBWGZJAPU-KRWDZBQOSA-N 2 0 354.539 0.687 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1cn2c(n1)CN(CC[NH+](C)C)CC2 ZINC001280221932 863345347 /nfs/dbraw/zinc/34/53/47/863345347.db2.gz WLSLPJQPCYXACY-UHFFFAOYSA-N 2 0 350.511 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001282306970 864181133 /nfs/dbraw/zinc/18/11/33/864181133.db2.gz QCONFEFQSDMIQS-ZACQAIPSSA-N 2 0 350.507 0.587 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001288979954 864834825 /nfs/dbraw/zinc/83/48/25/864834825.db2.gz MLGQHVHSKXRWQO-LZLYRXPVSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCN1C ZINC001349466300 866348756 /nfs/dbraw/zinc/34/87/56/866348756.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 0 355.527 0.109 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC001349485843 866357877 /nfs/dbraw/zinc/35/78/77/866357877.db2.gz AGMPZKBMHKJWIR-OAHLLOKOSA-N 2 0 357.520 0.630 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001308937349 866725212 /nfs/dbraw/zinc/72/52/12/866725212.db2.gz WVDZFZQQLNFUQN-PQUAAJSLSA-N 2 0 351.491 0.905 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC001351364973 866840936 /nfs/dbraw/zinc/84/09/36/866840936.db2.gz VWKSXJKYZWDMAT-LSDHHAIUSA-N 2 0 350.467 0.508 20 0 FCADRP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC001351377029 866844246 /nfs/dbraw/zinc/84/42/46/866844246.db2.gz YKUPYWHDOMJDAJ-TVFCKZIOSA-N 2 0 374.598 0.858 20 0 FCADRP C/C(=C/C(=O)NCC[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@H](C)C1 ZINC001351512860 866888213 /nfs/dbraw/zinc/88/82/13/866888213.db2.gz OVMAWEKUBZUEBZ-XDLJQUMRSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001316596633 867362346 /nfs/dbraw/zinc/36/23/46/867362346.db2.gz QWCYTDDCSDLMFX-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001353468423 867430587 /nfs/dbraw/zinc/43/05/87/867430587.db2.gz BZWUVUMQTGMENB-HNNXBMFYSA-N 2 0 350.463 0.645 20 0 FCADRP [NH3+]CC1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001353508304 867439522 /nfs/dbraw/zinc/43/95/22/867439522.db2.gz ZFRVUSBFOWNZOY-KRWDZBQOSA-N 2 0 353.511 0.163 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001316759267 867460238 /nfs/dbraw/zinc/46/02/38/867460238.db2.gz SUENYTRFDCPYRW-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001321302220 868425093 /nfs/dbraw/zinc/42/50/93/868425093.db2.gz CJLJBPNFCJZXLP-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001321343246 868438068 /nfs/dbraw/zinc/43/80/68/868438068.db2.gz APKQGCPSYWLKEO-KGLIPLIRSA-N 2 0 352.504 0.877 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546639 868511231 /nfs/dbraw/zinc/51/12/31/868511231.db2.gz HNEVHHDLXSHDCI-PBHICJAKSA-N 2 0 354.520 0.237 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001325653240 869973454 /nfs/dbraw/zinc/97/34/54/869973454.db2.gz ZLRWOWSNGIXGHC-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC001325715713 869997717 /nfs/dbraw/zinc/99/77/17/869997717.db2.gz CWUBXAJQEKGZNT-XIRDDKMYSA-N 2 0 350.507 0.905 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[NH2+]CC1 ZINC001325743111 870014884 /nfs/dbraw/zinc/01/48/84/870014884.db2.gz JUQABILDQPPQOW-GHMZBOCLSA-N 2 0 353.385 0.964 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+]([C@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539296 870371749 /nfs/dbraw/zinc/37/17/49/870371749.db2.gz LYDLRBYLOKVGFB-MVJTYMMSSA-N 2 0 351.491 0.985 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001343966530 870688227 /nfs/dbraw/zinc/68/82/27/870688227.db2.gz HVMOQODFVWCJEI-RDJZCZTQSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC001344784723 871025960 /nfs/dbraw/zinc/02/59/60/871025960.db2.gz PPFUSMRWHSGJIS-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001345166661 871211610 /nfs/dbraw/zinc/21/16/10/871211610.db2.gz JXTYNRFVIVZFSZ-HOTGVXAUSA-N 2 0 354.495 0.332 20 0 FCADRP O=C(C[NH+]1CCC(C(=O)NCCc2cccs2)CC1)N1CC[NH2+]CC1 ZINC001328490110 871458469 /nfs/dbraw/zinc/45/84/69/871458469.db2.gz IETQIISEVBQXLN-UHFFFAOYSA-N 2 0 364.515 0.551 20 0 FCADRP C/C(=C\C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001345921573 871562675 /nfs/dbraw/zinc/56/26/75/871562675.db2.gz PVFPEWCPYVSLRP-DAPLNWGVSA-N 2 0 350.507 0.849 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328846842 871662877 /nfs/dbraw/zinc/66/28/77/871662877.db2.gz VSSWOARTYBUQSC-KSZLIROESA-N 2 0 352.523 0.759 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425397 871834260 /nfs/dbraw/zinc/83/42/60/871834260.db2.gz GCVRIVRYYIJARB-DLBZAZTESA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC001346521497 871882410 /nfs/dbraw/zinc/88/24/10/871882410.db2.gz YAGMPDRWSQJGPW-RDJZCZTQSA-N 2 0 353.511 0.175 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@@H](O)[C@H](CO)C1)CC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329252042 871911655 /nfs/dbraw/zinc/91/16/55/871911655.db2.gz DOTHKWRXFNPURI-XLAORIBOSA-N 2 0 374.598 0.045 20 0 FCADRP C[NH+](C)C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704045 871966788 /nfs/dbraw/zinc/96/67/88/871966788.db2.gz WQKFNBBDQCIPMV-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001329379105 871988877 /nfs/dbraw/zinc/98/88/77/871988877.db2.gz QTHFQVGIYAGVQI-CMPLNLGQSA-N 2 0 358.430 0.374 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC001329491941 872064958 /nfs/dbraw/zinc/06/49/58/872064958.db2.gz YPKBTKKLVAKAMN-HOTGVXAUSA-N 2 0 357.520 0.391 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001347182293 872204315 /nfs/dbraw/zinc/20/43/15/872204315.db2.gz DOJANKOVCGHWSY-WMZOPIPTSA-N 2 0 352.523 0.316 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC001347620646 872421919 /nfs/dbraw/zinc/42/19/19/872421919.db2.gz LIWKFAYYYXOXJS-SJORKVTESA-N 2 0 355.527 0.375 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001330366665 872597080 /nfs/dbraw/zinc/59/70/80/872597080.db2.gz QVPBQKDQNWSTGP-UHFFFAOYSA-N 2 0 354.520 0.810 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1(C)C ZINC001330647871 872747780 /nfs/dbraw/zinc/74/77/80/872747780.db2.gz IFANDIOFLVHKQG-LPHOPBHVSA-N 2 0 352.523 0.757 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC001331469496 873116727 /nfs/dbraw/zinc/11/67/27/873116727.db2.gz HHLYOPHDTVOSBZ-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001331705289 873206245 /nfs/dbraw/zinc/20/62/45/873206245.db2.gz BOKYJNWJPUNYBB-SFYZADRCSA-N 2 0 350.320 0.477 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001331915045 873302930 /nfs/dbraw/zinc/30/29/30/873302930.db2.gz LZTBRHJLDUADOI-LZWOXQAQSA-N 2 0 360.524 0.133 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001332343180 873467047 /nfs/dbraw/zinc/46/70/47/873467047.db2.gz YRFGSBDMSOTGCS-ULQDDVLXSA-N 2 0 350.507 0.955 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001332511486 873538378 /nfs/dbraw/zinc/53/83/78/873538378.db2.gz QHBFSYQQWXMZBQ-CABCVRRESA-N 2 0 351.499 0.439 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001333278645 873890525 /nfs/dbraw/zinc/89/05/25/873890525.db2.gz GPLCNEVXIKWXAY-UHFFFAOYSA-N 2 0 357.520 0.630 20 0 FCADRP CN1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821586009 945724979 /nfs/dbraw/zinc/72/49/79/945724979.db2.gz FTEZFKWIRUIUNI-INIZCTEOSA-N 2 0 373.461 0.088 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926239 948991522 /nfs/dbraw/zinc/99/15/22/948991522.db2.gz LOXIDNVLKZUCTL-STQMWFEESA-N 2 0 358.450 0.190 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708882 949502707 /nfs/dbraw/zinc/50/27/07/949502707.db2.gz XZGDTQORXZLCSS-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575271791 949629677 /nfs/dbraw/zinc/62/96/77/949629677.db2.gz MDKGEQKNMMYYGH-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717478 949736427 /nfs/dbraw/zinc/73/64/27/949736427.db2.gz WCNVCQFDCHAPHK-OLZOCXBDSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574721088 949810946 /nfs/dbraw/zinc/81/09/46/949810946.db2.gz IZXSOZGGTFXFSU-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574722281 949832835 /nfs/dbraw/zinc/83/28/35/949832835.db2.gz RPVSAXMGBQUBDR-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205314 950505922 /nfs/dbraw/zinc/50/59/22/950505922.db2.gz XBUASUBLEQMPJU-GOEBONIOSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227917 950926551 /nfs/dbraw/zinc/92/65/51/950926551.db2.gz FSISQYZWTSWNQL-DOMZBBRYSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[NH+](C)C ZINC001575078549 951683259 /nfs/dbraw/zinc/68/32/59/951683259.db2.gz NIGXTPBUHYDZKU-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571051773 951812546 /nfs/dbraw/zinc/81/25/46/951812546.db2.gz ILXYBMWQXMCRPW-ZDUSSCGKSA-N 2 0 368.445 0.361 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575099594 951837869 /nfs/dbraw/zinc/83/78/69/951837869.db2.gz NLNRGDOTBUCDOB-YPMHNXCESA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107045 951910737 /nfs/dbraw/zinc/91/07/37/951910737.db2.gz XXQCEQHLGYLUNM-CZUORRHYSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063157 951962150 /nfs/dbraw/zinc/96/21/50/951962150.db2.gz JIFGMQHNHYDTKJ-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571064096 951970659 /nfs/dbraw/zinc/97/06/59/951970659.db2.gz RRTTVKYALOGXLO-DTZQCDIJSA-N 2 0 369.473 0.944 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571077647 952121462 /nfs/dbraw/zinc/12/14/62/952121462.db2.gz FBIXVQQAUFSRHF-CYBMUJFWSA-N 2 0 370.461 0.286 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571077648 952121493 /nfs/dbraw/zinc/12/14/93/952121493.db2.gz FBIXVQQAUFSRHF-ZDUSSCGKSA-N 2 0 370.461 0.286 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078156 952125905 /nfs/dbraw/zinc/12/59/05/952125905.db2.gz MNVCTSLMAJSFKE-CYBMUJFWSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078147 952126358 /nfs/dbraw/zinc/12/63/58/952126358.db2.gz MFRPGXLMCGKHQW-DVOMOZLQSA-N 2 0 370.461 0.393 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143830 952157775 /nfs/dbraw/zinc/15/77/75/952157775.db2.gz CWJBEUOWQMSHTK-CJNGLKHVSA-N 2 0 372.477 0.815 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571103629 952356167 /nfs/dbraw/zinc/35/61/67/952356167.db2.gz MZQGGBAJAAKQMA-BBRMVZONSA-N 2 0 372.477 0.593 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598232173 990943015 /nfs/dbraw/zinc/94/30/15/990943015.db2.gz CQCLRNQDFNKKST-UHFFFAOYSA-N 2 0 362.474 0.617 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291713350 214052557 /nfs/dbraw/zinc/05/25/57/214052557.db2.gz DFHGGFLNKJGYLI-UHFFFAOYSA-N 2 0 367.494 0.526 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000293151581 214151009 /nfs/dbraw/zinc/15/10/09/214151009.db2.gz HRXMHIHTAKUBDS-GOSISDBHSA-N 2 0 354.414 0.760 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn2ccnc12 ZINC000293794972 214201920 /nfs/dbraw/zinc/20/19/20/214201920.db2.gz UQPZGFVJGUSVCB-UHFFFAOYSA-N 2 0 372.473 0.723 20 0 FCADRP Cc1nc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000297391034 214395374 /nfs/dbraw/zinc/39/53/74/214395374.db2.gz LTHGMRNJPLLPCJ-UHFFFAOYSA-N 2 0 358.450 0.852 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410779160 529886314 /nfs/dbraw/zinc/88/63/14/529886314.db2.gz HLIIRJUTHUIDPM-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410911179 529900822 /nfs/dbraw/zinc/90/08/22/529900822.db2.gz CHHOLOKTHBEGFV-MRXNPFEDSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)C2)CC1 ZINC000410930027 530050999 /nfs/dbraw/zinc/05/09/99/530050999.db2.gz PCIFMARFQJLUOU-QZTJIDSGSA-N 2 0 360.502 0.649 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331380426 214986815 /nfs/dbraw/zinc/98/68/15/214986815.db2.gz GGBNVPKMUGCYPB-VVLHAWIVSA-N 2 0 364.534 0.927 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[NH+](C)C1 ZINC000331542484 215012840 /nfs/dbraw/zinc/01/28/40/215012840.db2.gz PQMMAIIQEOVVHA-LUKYLMHMSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000331551330 215013624 /nfs/dbraw/zinc/01/36/24/215013624.db2.gz RTUIUBUPVOYYMV-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000331600755 215021592 /nfs/dbraw/zinc/02/15/92/215021592.db2.gz ZRZGRAOLSNWCAG-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331684056 215033878 /nfs/dbraw/zinc/03/38/78/215033878.db2.gz SAQXMOKBENBOOF-XQLPTFJDSA-N 2 0 352.479 0.158 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691996 215035710 /nfs/dbraw/zinc/03/57/10/215035710.db2.gz VDWBQRSAUHCODY-RVKKMQEKSA-N 2 0 368.547 0.483 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000331809184 215049565 /nfs/dbraw/zinc/04/95/65/215049565.db2.gz NQDOCMDKTYNLLK-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265083696 210052772 /nfs/dbraw/zinc/05/27/72/210052772.db2.gz KQHNWDQQXKDADH-UHFFFAOYSA-N 2 0 360.418 0.290 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331909569 215066870 /nfs/dbraw/zinc/06/68/70/215066870.db2.gz AOEPHVUORYGHEJ-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000331930340 215068979 /nfs/dbraw/zinc/06/89/79/215068979.db2.gz DTLOQDOANJHDFC-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332225078 215111779 /nfs/dbraw/zinc/11/17/79/215111779.db2.gz YXGDELLPXYMOHK-HOTGVXAUSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000332420120 215149089 /nfs/dbraw/zinc/14/90/89/215149089.db2.gz BQCDNDVIOXUJEN-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000332420117 215149534 /nfs/dbraw/zinc/14/95/34/215149534.db2.gz BQCDNDVIOXUJEN-NXOAAHMSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000332472796 215157450 /nfs/dbraw/zinc/15/74/50/215157450.db2.gz MUPJFVMXDLKDIH-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000332509712 215162723 /nfs/dbraw/zinc/16/27/23/215162723.db2.gz YXDNQGHTCOLXQS-IXDOHACOSA-N 2 0 366.506 0.284 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332692313 215204137 /nfs/dbraw/zinc/20/41/37/215204137.db2.gz WQHKQHOTPYTPPK-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144750 215242833 /nfs/dbraw/zinc/24/28/33/215242833.db2.gz ZKNLGOYKEDLQJY-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)C[N@@H+]1C1CC1 ZINC000333214698 215251937 /nfs/dbraw/zinc/25/19/37/215251937.db2.gz CGMQWCLJQRTPNJ-IPYPFGDCSA-N 2 0 353.467 0.489 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000333258288 215255310 /nfs/dbraw/zinc/25/53/10/215255310.db2.gz LRQGMGBJSUAKBV-PBHICJAKSA-N 2 0 358.552 0.910 20 0 FCADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333298079 215259505 /nfs/dbraw/zinc/25/95/05/215259505.db2.gz KANAQZPUBDYWJV-GOEBONIOSA-N 2 0 359.478 0.977 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333508799 215290738 /nfs/dbraw/zinc/29/07/38/215290738.db2.gz ITOUYVKWONUCRD-HLLBOEOZSA-N 2 0 354.495 0.506 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333499466 215289508 /nfs/dbraw/zinc/28/95/08/215289508.db2.gz FFSTTXHBSFSKDI-ZFWWWQNUSA-N 2 0 363.428 0.608 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643540 215304350 /nfs/dbraw/zinc/30/43/50/215304350.db2.gz IRFZFDATXSGJMT-DLBZAZTESA-N 2 0 353.511 0.175 20 0 FCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333684430 215307821 /nfs/dbraw/zinc/30/78/21/215307821.db2.gz AFLNSBKOJZYNDY-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000333686003 215308822 /nfs/dbraw/zinc/30/88/22/215308822.db2.gz PGMYPCRIQYIAAV-DLBZAZTESA-N 2 0 353.511 0.175 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333736716 215314785 /nfs/dbraw/zinc/31/47/85/215314785.db2.gz QPTMPZXCGCIOGG-DLBZAZTESA-N 2 0 354.495 0.386 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333715974 215311784 /nfs/dbraw/zinc/31/17/84/215311784.db2.gz NBWIZGZKZXKOLG-ZWKOTPCHSA-N 2 0 368.522 0.776 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000333736719 215315364 /nfs/dbraw/zinc/31/53/64/215315364.db2.gz QPTMPZXCGCIOGG-IRXDYDNUSA-N 2 0 354.495 0.386 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333816034 215320855 /nfs/dbraw/zinc/32/08/55/215320855.db2.gz KCWDHMUHJBPMFR-JZXOWHBKSA-N 2 0 365.522 0.759 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852287 215324903 /nfs/dbraw/zinc/32/49/03/215324903.db2.gz QFXNNXZKYKCQCE-KURKYZTESA-N 2 0 367.538 0.563 20 0 FCADRP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000333891376 215328575 /nfs/dbraw/zinc/32/85/75/215328575.db2.gz YUXLCJRGPSNLHK-FGTMMUONSA-N 2 0 372.517 0.938 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCCO1 ZINC000333929089 215332403 /nfs/dbraw/zinc/33/24/03/215332403.db2.gz XZRNSVWLGFPZRA-MRXNPFEDSA-N 2 0 354.495 0.781 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333945494 215333267 /nfs/dbraw/zinc/33/32/67/215333267.db2.gz SXLRMVJYKSYUTM-OAGGEKHMSA-N 2 0 351.495 0.370 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334069551 215340674 /nfs/dbraw/zinc/34/06/74/215340674.db2.gz GFHGXZIQUDGLKC-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)C2 ZINC000334092658 215343835 /nfs/dbraw/zinc/34/38/35/215343835.db2.gz OTORRQQBZXKFFF-NPYXIHBLSA-N 2 0 363.506 0.560 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1)C1CC1 ZINC000285678334 213376000 /nfs/dbraw/zinc/37/60/00/213376000.db2.gz PUXHHLTWLFEXQX-UHFFFAOYSA-N 2 0 359.474 0.899 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360573847 215365789 /nfs/dbraw/zinc/36/57/89/215365789.db2.gz ULJQZWRYNDXJFS-GJZGRUSLSA-N 2 0 353.467 0.584 20 0 FCADRP C[N@H+](CCCS(N)(=O)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285248452 213310486 /nfs/dbraw/zinc/31/04/86/213310486.db2.gz AKHSUKOLDRBSII-UHFFFAOYSA-N 2 0 354.520 0.415 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000285213968 213303370 /nfs/dbraw/zinc/30/33/70/213303370.db2.gz WGJAPURSPFRMQQ-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285157075 213293266 /nfs/dbraw/zinc/29/32/66/213293266.db2.gz ZIUUPGUNSWRMLQ-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000284727294 213206868 /nfs/dbraw/zinc/20/68/68/213206868.db2.gz GWPXFIIHFCXBSS-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1cccc(CN2CCN(C(=O)C(=O)NCCn3ccnc3)CC2)c1 ZINC000284173700 213090362 /nfs/dbraw/zinc/09/03/62/213090362.db2.gz ZFSQTICTQUAEML-UHFFFAOYSA-N 2 0 355.442 0.652 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849011 213019270 /nfs/dbraw/zinc/01/92/70/213019270.db2.gz FRSFOCJAAOSIRM-DLBZAZTESA-N 2 0 362.474 0.242 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367195231 216089948 /nfs/dbraw/zinc/08/99/48/216089948.db2.gz HUOVYOKJKQCTMD-DLBZAZTESA-N 2 0 355.527 0.232 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1OC ZINC000262338369 209571168 /nfs/dbraw/zinc/57/11/68/209571168.db2.gz FVXZYMBFBQRPNZ-HZPDHXFCSA-N 2 0 365.474 0.755 20 0 FCADRP [NH3+]CCc1nc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000261913562 209497242 /nfs/dbraw/zinc/49/72/42/209497242.db2.gz UCLOCBRXTUQBST-JTQLQIEISA-N 2 0 351.398 0.210 20 0 FCADRP CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368037991 216194866 /nfs/dbraw/zinc/19/48/66/216194866.db2.gz BLZJXPTYMMAHSK-AWEZNQCLSA-N 2 0 358.446 0.904 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)CC1=O ZINC000246595638 209392390 /nfs/dbraw/zinc/39/23/90/209392390.db2.gz FYTGTZPSCUDIES-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000245912086 209375855 /nfs/dbraw/zinc/37/58/55/209375855.db2.gz RJPKYIJSOJVRDG-ZWKOTPCHSA-N 2 0 364.490 0.499 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000237313414 209350769 /nfs/dbraw/zinc/35/07/69/209350769.db2.gz FCYBLALWXRIAFL-AWEZNQCLSA-N 2 0 352.508 0.185 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368576526 216265810 /nfs/dbraw/zinc/26/58/10/216265810.db2.gz JOWQMZMHMLKCRF-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000368980455 216329144 /nfs/dbraw/zinc/32/91/44/216329144.db2.gz GSLOOAFAGMONSB-QZTJIDSGSA-N 2 0 367.538 0.253 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027358 216334994 /nfs/dbraw/zinc/33/49/94/216334994.db2.gz LQLAJICQPSUTOJ-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048125 216340123 /nfs/dbraw/zinc/34/01/23/216340123.db2.gz SJSDQJMKIVYZHP-KURKYZTESA-N 2 0 367.538 0.421 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000189459123 209252908 /nfs/dbraw/zinc/25/29/08/209252908.db2.gz TVUSISPUZMYYBE-UHFFFAOYSA-N 2 0 361.490 0.432 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000188945330 209242604 /nfs/dbraw/zinc/24/26/04/209242604.db2.gz OSYLIRRXZMFLOJ-SJORKVTESA-N 2 0 369.554 0.357 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188586019 209234066 /nfs/dbraw/zinc/23/40/66/209234066.db2.gz IPSHJWZAPILTBE-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000277473083 212364351 /nfs/dbraw/zinc/36/43/51/212364351.db2.gz INQGYEZEJLVLHZ-UKPHBRMFSA-N 2 0 364.465 0.868 20 0 FCADRP COC[C@]1(C)NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277428818 212358865 /nfs/dbraw/zinc/35/88/65/212358865.db2.gz BILZCVFLXHWFKM-SFHVURJKSA-N 2 0 361.446 0.551 20 0 FCADRP C[N@H+](CCC(=O)N1CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188289614 209228064 /nfs/dbraw/zinc/22/80/64/209228064.db2.gz DFQSKLSYRUHTPO-HXUWFJFHSA-N 2 0 361.486 0.804 20 0 FCADRP Nc1cc[nH+]cc1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000188190882 209225385 /nfs/dbraw/zinc/22/53/85/209225385.db2.gz DIDORDINYSJRSH-HNNXBMFYSA-N 2 0 356.426 0.862 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000187801979 209218071 /nfs/dbraw/zinc/21/80/71/209218071.db2.gz KETXZUCDGRCLAT-MRXNPFEDSA-N 2 0 360.506 0.927 20 0 FCADRP C[C@@H](O)C[N@H+](Cc1ccc(C[NH+](C[C@H](C)O)[C@H](C)CO)cc1)[C@H](C)CO ZINC000276222844 212189438 /nfs/dbraw/zinc/18/94/38/212189438.db2.gz QRNDIYLINCRVKJ-TVFCKZIOSA-N 2 0 368.518 0.814 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)N3CCOCC3)CC2)CC1 ZINC000371833498 216791108 /nfs/dbraw/zinc/79/11/08/216791108.db2.gz AKMVVMJHTSKSIN-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275896626 212114276 /nfs/dbraw/zinc/11/42/76/212114276.db2.gz NYYFMUQDYNTVQC-UHFFFAOYSA-N 2 0 350.463 0.472 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548752 212048897 /nfs/dbraw/zinc/04/88/97/212048897.db2.gz DZDSCGYYSSVGAN-OALUTQOASA-N 2 0 374.533 0.791 20 0 FCADRP COc1cccc(COC[C@@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931487158 674117152 /nfs/dbraw/zinc/11/71/52/674117152.db2.gz UGNNMFQXFIXEOY-KRWDZBQOSA-N 2 0 352.475 0.961 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000414684631 245309832 /nfs/dbraw/zinc/30/98/32/245309832.db2.gz WLRSKSZNUZAGCE-QGZVFWFLSA-N 2 0 370.501 0.649 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[NH+](C)C ZINC000414685534 245310629 /nfs/dbraw/zinc/31/06/29/245310629.db2.gz ZOCSGAMQHOTZLR-ZBFHGGJFSA-N 2 0 361.490 0.929 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000414675224 245311814 /nfs/dbraw/zinc/31/18/14/245311814.db2.gz LSZKWGHLTMIDAT-GOSISDBHSA-N 2 0 358.486 0.571 20 0 FCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CC[NH2+]CC1 ZINC000415285413 245377235 /nfs/dbraw/zinc/37/72/35/245377235.db2.gz RQAXSNUWEDNFPJ-UHFFFAOYSA-N 2 0 371.485 0.589 20 0 FCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415331819 245390601 /nfs/dbraw/zinc/39/06/01/245390601.db2.gz PLXLNAXUSVEEAO-QGZVFWFLSA-N 2 0 371.485 0.635 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415341435 245393434 /nfs/dbraw/zinc/39/34/34/245393434.db2.gz GXDWPIYZKHGIJI-AWEZNQCLSA-N 2 0 362.499 0.994 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000182969487 209138571 /nfs/dbraw/zinc/13/85/71/209138571.db2.gz RIJMXVNWLSFPJZ-MRXNPFEDSA-N 2 0 374.485 0.213 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418506543 245792466 /nfs/dbraw/zinc/79/24/66/245792466.db2.gz IOZILORYKPZZLY-IAGOWNOFSA-N 2 0 350.463 0.676 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000419033558 245948291 /nfs/dbraw/zinc/94/82/91/245948291.db2.gz LJRNDHALVVGVOK-UHFFFAOYSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419030654 245946968 /nfs/dbraw/zinc/94/69/68/245946968.db2.gz UHIJLRXFIUZORW-BZUAXINKSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419130467 246005628 /nfs/dbraw/zinc/00/56/28/246005628.db2.gz BDNHJHXAOQCTSS-CQSZACIVSA-N 2 0 352.504 0.802 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CC[NH+](C)CC1 ZINC000419128611 246003086 /nfs/dbraw/zinc/00/30/86/246003086.db2.gz WPNJJHPKJSDMOG-MRXNPFEDSA-N 2 0 367.538 0.152 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419131214 246006090 /nfs/dbraw/zinc/00/60/90/246006090.db2.gz CBPXZAIXWNOLLP-JKSUJKDBSA-N 2 0 362.474 0.629 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419130070 246005303 /nfs/dbraw/zinc/00/53/03/246005303.db2.gz BZUWQMWMRKUBBB-DLBZAZTESA-N 2 0 361.490 0.667 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000419132936 246006716 /nfs/dbraw/zinc/00/67/16/246006716.db2.gz FJVCROVZKTYXOB-QGZVFWFLSA-N 2 0 368.522 0.437 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419135150 246009863 /nfs/dbraw/zinc/00/98/63/246009863.db2.gz KSKCWRLRLFLACX-VSZNYVQBSA-N 2 0 358.486 0.929 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000419133364 246010030 /nfs/dbraw/zinc/01/00/30/246010030.db2.gz FWOAFTMYPHJQHF-KRWDZBQOSA-N 2 0 352.523 0.929 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419140039 246011396 /nfs/dbraw/zinc/01/13/96/246011396.db2.gz VJLFSVZDPDPYQS-HNNXBMFYSA-N 2 0 364.515 0.945 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419166620 246030303 /nfs/dbraw/zinc/03/03/03/246030303.db2.gz HQXCFMJPPFKQAE-MSOLQXFVSA-N 2 0 358.486 0.535 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419216430 246059333 /nfs/dbraw/zinc/05/93/33/246059333.db2.gz PNSKAXJQBHYPEE-ZBFHGGJFSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419216026 246060145 /nfs/dbraw/zinc/06/01/45/246060145.db2.gz OVSQCOCMFAVFSC-MPGHIAIKSA-N 2 0 374.485 0.472 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419213628 246060422 /nfs/dbraw/zinc/06/04/22/246060422.db2.gz LUUVCWXTGROPIB-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223475 246063196 /nfs/dbraw/zinc/06/31/96/246063196.db2.gz DAMBXHVHIMUISW-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419224942 246063489 /nfs/dbraw/zinc/06/34/89/246063489.db2.gz GFMKPSSWBWHXKG-QGZVFWFLSA-N 2 0 362.518 0.969 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229636 246067395 /nfs/dbraw/zinc/06/73/95/246067395.db2.gz PBMDQZBLCDRWJR-RDJZCZTQSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205945 246053551 /nfs/dbraw/zinc/05/35/51/246053551.db2.gz JXLVNHYPEXIWIG-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419209364 246054253 /nfs/dbraw/zinc/05/42/53/246054253.db2.gz BHXXSGKALRBYHS-USXIJHARSA-N 2 0 350.507 0.953 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419209358 246054524 /nfs/dbraw/zinc/05/45/24/246054524.db2.gz BHXXSGKALRBYHS-BHYGNILZSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419207359 246054930 /nfs/dbraw/zinc/05/49/30/246054930.db2.gz MKIOYEJGNIEQEN-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419275174 246085065 /nfs/dbraw/zinc/08/50/65/246085065.db2.gz COWQYQMQKQSAND-CHWSQXEVSA-N 2 0 365.453 0.218 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419274887 246085720 /nfs/dbraw/zinc/08/57/20/246085720.db2.gz YIRAGXVSXYODSO-MOPGFXCFSA-N 2 0 370.497 0.967 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000419227841 246067812 /nfs/dbraw/zinc/06/78/12/246067812.db2.gz LJNWLKGWHZBZKU-IXDOHACOSA-N 2 0 366.506 0.332 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]21 ZINC000419228625 246068408 /nfs/dbraw/zinc/06/84/08/246068408.db2.gz MOHKARMAIDUCAQ-XMTFNYHQSA-N 2 0 362.518 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000419235891 246071081 /nfs/dbraw/zinc/07/10/81/246071081.db2.gz ZPSYRZDDMUCYCI-JOCBIADPSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C[NH3+] ZINC000419347722 246109237 /nfs/dbraw/zinc/10/92/37/246109237.db2.gz XHGQZWVVFKJAMZ-MAUKXSAKSA-N 2 0 373.501 0.748 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)[C@H](C)C[NH2+]1 ZINC000419303878 246090884 /nfs/dbraw/zinc/09/08/84/246090884.db2.gz ISMVSCDPLPTMTE-HUUCEWRRSA-N 2 0 359.474 0.897 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419366017 246120608 /nfs/dbraw/zinc/12/06/08/246120608.db2.gz YFMQCNBBLUBNOL-SFHVURJKSA-N 2 0 372.469 0.650 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419373733 246122199 /nfs/dbraw/zinc/12/21/99/246122199.db2.gz MXVNARRPZRXOMT-MAUKXSAKSA-N 2 0 372.513 0.706 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419375393 246123135 /nfs/dbraw/zinc/12/31/35/246123135.db2.gz QMNOCULNMFSZBO-MRXNPFEDSA-N 2 0 372.513 0.660 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419375392 246123627 /nfs/dbraw/zinc/12/36/27/246123627.db2.gz QMNOCULNMFSZBO-INIZCTEOSA-N 2 0 372.513 0.660 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419376054 246124933 /nfs/dbraw/zinc/12/49/33/246124933.db2.gz RKRZWXKBBGHRIW-QGZVFWFLSA-N 2 0 358.486 0.542 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCCN1CCc2ccccc2C1 ZINC000419387492 246127256 /nfs/dbraw/zinc/12/72/56/246127256.db2.gz FNCXVCMKQLAOSW-MRXNPFEDSA-N 2 0 358.486 0.667 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419391735 246130270 /nfs/dbraw/zinc/13/02/70/246130270.db2.gz KFYLSPNXNMYRBB-CRAIPNDOSA-N 2 0 358.486 0.747 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419412378 246146993 /nfs/dbraw/zinc/14/69/93/246146993.db2.gz RCKSTUVHEKXMGC-QAPCUYQASA-N 2 0 358.486 0.760 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419413611 246147583 /nfs/dbraw/zinc/14/75/83/246147583.db2.gz SFXJAEQXVUIZEE-JTDSTZFVSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000419412622 246147850 /nfs/dbraw/zinc/14/78/50/246147850.db2.gz RBBZYNOUMGTNBY-JKSUJKDBSA-N 2 0 350.438 0.884 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000419404281 246137472 /nfs/dbraw/zinc/13/74/72/246137472.db2.gz FRZLLEBPXRJNTO-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419407141 246139214 /nfs/dbraw/zinc/13/92/14/246139214.db2.gz KCQJMHFYZZWEGU-YJBOKZPZSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404540 246139348 /nfs/dbraw/zinc/13/93/48/246139348.db2.gz TXRJKYYWXLIKRN-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404532 246140251 /nfs/dbraw/zinc/14/02/51/246140251.db2.gz TXRJKYYWXLIKRN-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419409265 246140505 /nfs/dbraw/zinc/14/05/05/246140505.db2.gz MVPIKPUQUKMTEW-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407753 246140807 /nfs/dbraw/zinc/14/08/07/246140807.db2.gz YZXUMPSJEDBKGU-JZXOWHBKSA-N 2 0 358.486 0.834 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419410506 246143761 /nfs/dbraw/zinc/14/37/61/246143761.db2.gz OOQLQCAGODXIAW-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419410043 246145575 /nfs/dbraw/zinc/14/55/75/246145575.db2.gz OAJMUTGOFQRTPS-HOTGVXAUSA-N 2 0 366.437 0.121 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000419421140 246155448 /nfs/dbraw/zinc/15/54/48/246155448.db2.gz LGUWKFIZEUCPGR-HOTGVXAUSA-N 2 0 358.486 0.760 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419420694 246155626 /nfs/dbraw/zinc/15/56/26/246155626.db2.gz KFUOQYQVRUDNFK-MAUKXSAKSA-N 2 0 358.486 0.795 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419426737 246157605 /nfs/dbraw/zinc/15/76/05/246157605.db2.gz QWBWQQSKCQEMHH-BPQIPLTHSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000419417630 246152576 /nfs/dbraw/zinc/15/25/76/246152576.db2.gz XHYNAOJWNPJIKD-ZENOOKHLSA-N 2 0 350.438 0.753 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419419082 246153072 /nfs/dbraw/zinc/15/30/72/246153072.db2.gz LRNQYKZNZVFXIX-MRXNPFEDSA-N 2 0 361.490 0.168 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419503810 246183301 /nfs/dbraw/zinc/18/33/01/246183301.db2.gz FHQJPQQFJFFNEW-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419504357 246184452 /nfs/dbraw/zinc/18/44/52/246184452.db2.gz GOUJCESMACYHKQ-KURKYZTESA-N 2 0 356.470 0.445 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419506752 246186554 /nfs/dbraw/zinc/18/65/54/246186554.db2.gz NFWDDOBKPNRRIW-OTWHNJEPSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419525115 246192742 /nfs/dbraw/zinc/19/27/42/246192742.db2.gz CVTDEAFUZJUXAK-CYGHRXIMSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419476919 246176089 /nfs/dbraw/zinc/17/60/89/246176089.db2.gz QNQUUHDNZAPUAC-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419475547 246176611 /nfs/dbraw/zinc/17/66/11/246176611.db2.gz FAPAYYIOSXCPCD-ZACQAIPSSA-N 2 0 350.507 0.683 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000419480963 246178834 /nfs/dbraw/zinc/17/88/34/246178834.db2.gz OJMLIGPOEISUNB-IAGOWNOFSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419535431 246194876 /nfs/dbraw/zinc/19/48/76/246194876.db2.gz RYHLJDFGCPZNAJ-SYNHAJSKSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534744 246195653 /nfs/dbraw/zinc/19/56/53/246195653.db2.gz QQCRWQVYDLKEDC-DOTOQJQBSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536876 246196152 /nfs/dbraw/zinc/19/61/52/246196152.db2.gz VAKBGFUFHBHHMP-IDCNUPLLSA-N 2 0 358.486 0.880 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC[N@@H+]1C ZINC000419539312 246196748 /nfs/dbraw/zinc/19/67/48/246196748.db2.gz AXWACODMZPKKON-MWQQHZPXSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655128 246232531 /nfs/dbraw/zinc/23/25/31/246232531.db2.gz HFQZYCGBAAQWJK-KBAYOESNSA-N 2 0 374.485 0.260 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624757 246222416 /nfs/dbraw/zinc/22/24/16/246222416.db2.gz AKJQNELCPVQNJR-CJNGLKHVSA-N 2 0 362.474 0.594 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)CN)CC[N@@H+]1Cc1ccccc1 ZINC000419654518 246230611 /nfs/dbraw/zinc/23/06/11/246230611.db2.gz GRAIMEJUHMLXJK-HIFRSBDPSA-N 2 0 368.428 0.866 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000419670310 246239298 /nfs/dbraw/zinc/23/92/98/246239298.db2.gz WSUSSNSDUICDQD-GJZGRUSLSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000419668763 246239848 /nfs/dbraw/zinc/23/98/48/246239848.db2.gz UTXMFMFPOWTMHO-GJZGRUSLSA-N 2 0 359.474 0.623 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419670125 246240101 /nfs/dbraw/zinc/24/01/01/246240101.db2.gz FRFBMMFHVQLSAW-OWCLPIDISA-N 2 0 354.495 0.188 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419682086 246248134 /nfs/dbraw/zinc/24/81/34/246248134.db2.gz JCKMVUULQIIZNX-HNNXBMFYSA-N 2 0 368.547 0.532 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419720069 246270045 /nfs/dbraw/zinc/27/00/45/246270045.db2.gz DMJIAAFVWZALDW-HZPDHXFCSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419689445 246251592 /nfs/dbraw/zinc/25/15/92/246251592.db2.gz ITIGSYLRSLWGIG-CQSZACIVSA-N 2 0 354.520 0.332 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC[NH2+]CC1 ZINC000419693549 246254030 /nfs/dbraw/zinc/25/40/30/246254030.db2.gz NNGJMYUGAAMQGI-UHFFFAOYSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419703335 246259749 /nfs/dbraw/zinc/25/97/49/246259749.db2.gz DHEPOEIPNFXXCA-ATLSCFEFSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000419703291 246259816 /nfs/dbraw/zinc/25/98/16/246259816.db2.gz DEBFMKGQMQUZAX-BGTYHANMSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000419705932 246261094 /nfs/dbraw/zinc/26/10/94/246261094.db2.gz BSSNLVKQHSJJMX-YJBOKZPZSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000419705287 246261618 /nfs/dbraw/zinc/26/16/18/246261618.db2.gz AJDUYCCMWYNIRJ-YJBOKZPZSA-N 2 0 360.502 0.850 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419710879 246263062 /nfs/dbraw/zinc/26/30/62/246263062.db2.gz RFEFTKAGPJOMPJ-NJAFHUGGSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419717890 246267408 /nfs/dbraw/zinc/26/74/08/246267408.db2.gz CILJPRZJYJUROC-ROUUACIJSA-N 2 0 370.497 0.835 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000419717983 246267729 /nfs/dbraw/zinc/26/77/29/246267729.db2.gz ACWSEFNPTYLZRH-BZUAXINKSA-N 2 0 352.479 0.084 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419755864 246285651 /nfs/dbraw/zinc/28/56/51/246285651.db2.gz FNARFYRWODLRHW-GDBMZVCRSA-N 2 0 364.465 0.878 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000419801016 246299276 /nfs/dbraw/zinc/29/92/76/246299276.db2.gz IXNFWBMWMVYDHY-MRXNPFEDSA-N 2 0 366.506 0.335 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000419805310 246302560 /nfs/dbraw/zinc/30/25/60/246302560.db2.gz DIMZNIMHFSBVRL-YJBOKZPZSA-N 2 0 374.485 0.769 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000419809046 246304404 /nfs/dbraw/zinc/30/44/04/246304404.db2.gz HBJHZFGYXGPIEI-GOSISDBHSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419727494 246273142 /nfs/dbraw/zinc/27/31/42/246273142.db2.gz LNQQVUFHRATBHL-MAUKXSAKSA-N 2 0 374.485 0.514 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838032 246314866 /nfs/dbraw/zinc/31/48/66/246314866.db2.gz DXYMMQWICKSDLY-CQSZACIVSA-N 2 0 368.428 0.723 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000419847632 246319828 /nfs/dbraw/zinc/31/98/28/246319828.db2.gz TYDYEKGIKWKDPA-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861141 246330769 /nfs/dbraw/zinc/33/07/69/246330769.db2.gz DQJUNGWLCKQNKM-MRXNPFEDSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923239 246370896 /nfs/dbraw/zinc/37/08/96/246370896.db2.gz GHDSKTZZVZVMEI-MAUKXSAKSA-N 2 0 374.485 0.514 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419881670 246348038 /nfs/dbraw/zinc/34/80/38/246348038.db2.gz IATZVVRSGQUFOV-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419880796 246348129 /nfs/dbraw/zinc/34/81/29/246348129.db2.gz APVNLBWKJUTZCR-OAHLLOKOSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419884251 246349749 /nfs/dbraw/zinc/34/97/49/246349749.db2.gz FUFCAELUPWBQJY-UXLLHSPISA-N 2 0 366.506 0.202 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419889297 246352038 /nfs/dbraw/zinc/35/20/38/246352038.db2.gz SAJFCZSHKBYDLG-NQIIRXRSSA-N 2 0 370.497 0.979 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419891948 246354589 /nfs/dbraw/zinc/35/45/89/246354589.db2.gz UMWRDULORCUKPT-QRVBRYPASA-N 2 0 370.497 0.978 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000419969818 246393959 /nfs/dbraw/zinc/39/39/59/246393959.db2.gz CVTWAHNQFDBQJG-QGZVFWFLSA-N 2 0 364.490 0.685 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419971430 246396136 /nfs/dbraw/zinc/39/61/36/246396136.db2.gz WRLPCUUVIFZCKU-UXLLHSPISA-N 2 0 368.522 0.626 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419973615 246396205 /nfs/dbraw/zinc/39/62/05/246396205.db2.gz GRDOJKPCQSAJID-HOTGVXAUSA-N 2 0 367.538 0.103 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419973775 246396800 /nfs/dbraw/zinc/39/68/00/246396800.db2.gz ILGVNPQYFMGJLG-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000419939485 246378517 /nfs/dbraw/zinc/37/85/17/246378517.db2.gz JGIJARFVRFGEPX-AWEZNQCLSA-N 2 0 350.463 0.296 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420019056 246417588 /nfs/dbraw/zinc/41/75/88/246417588.db2.gz QONOFUXBPWULCQ-NVXWUHKLSA-N 2 0 368.522 0.579 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1OC ZINC000420450790 246562589 /nfs/dbraw/zinc/56/25/89/246562589.db2.gz HMLIVELKRJEWKO-UHFFFAOYSA-N 2 0 359.448 0.170 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000423156299 246970496 /nfs/dbraw/zinc/97/04/96/246970496.db2.gz RYHTWPNERKHOFK-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP COC[C@@]1(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360271 247011348 /nfs/dbraw/zinc/01/13/48/247011348.db2.gz QIWMYIKSWQTVEY-JTDSTZFVSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423358562 247011794 /nfs/dbraw/zinc/01/17/94/247011794.db2.gz BRRGWRITHSCDDZ-GJZGRUSLSA-N 2 0 364.515 0.706 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000423372356 247012537 /nfs/dbraw/zinc/01/25/37/247012537.db2.gz BFFMICIWZJAVJX-RDJZCZTQSA-N 2 0 368.522 0.530 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423380237 247016113 /nfs/dbraw/zinc/01/61/13/247016113.db2.gz NKVGCPWIQGYXLU-IRXDYDNUSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423414232 247021540 /nfs/dbraw/zinc/02/15/40/247021540.db2.gz MHNUTWRUJPMUSQ-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000423300453 246999498 /nfs/dbraw/zinc/99/94/98/246999498.db2.gz DVXBLOOULMMWFU-JDEYZFBPSA-N 2 0 362.518 0.777 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423313739 247003149 /nfs/dbraw/zinc/00/31/49/247003149.db2.gz XJIGGJQKDKAJIL-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558899 247051842 /nfs/dbraw/zinc/05/18/42/247051842.db2.gz LOCFGNXXQKFUND-RTBURBONSA-N 2 0 370.497 0.931 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573307 247058717 /nfs/dbraw/zinc/05/87/17/247058717.db2.gz WBRGPNDVJSABML-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423583833 247062918 /nfs/dbraw/zinc/06/29/18/247062918.db2.gz BBLZKDNCNIFZCJ-HZPDHXFCSA-N 2 0 364.515 0.706 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423587258 247063479 /nfs/dbraw/zinc/06/34/79/247063479.db2.gz CLGJAVLPJMUHCN-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423436690 247024995 /nfs/dbraw/zinc/02/49/95/247024995.db2.gz FOQKPNZOKQKDEO-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000423429980 247025442 /nfs/dbraw/zinc/02/54/42/247025442.db2.gz MHALOXFMIIEHHH-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000423434594 247025875 /nfs/dbraw/zinc/02/58/75/247025875.db2.gz DAGTWINLJBHSOU-HRCADAONSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000423434596 247026160 /nfs/dbraw/zinc/02/61/60/247026160.db2.gz DAGTWINLJBHSOU-OWCLPIDISA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000423437578 247028307 /nfs/dbraw/zinc/02/83/07/247028307.db2.gz GHEWDOFTTCZHID-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000423467187 247033161 /nfs/dbraw/zinc/03/31/61/247033161.db2.gz AJSMXRHECXODNY-OAHLLOKOSA-N 2 0 362.474 0.406 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423471413 247033435 /nfs/dbraw/zinc/03/34/35/247033435.db2.gz WXFDWOSWGYFXNV-SJLPKXTDSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423605609 247072984 /nfs/dbraw/zinc/07/29/84/247072984.db2.gz HFCRXTBSPQOEGL-UHFFFAOYSA-N 2 0 352.504 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000423608150 247073501 /nfs/dbraw/zinc/07/35/01/247073501.db2.gz KGBLJXXDGIWMLK-HIFRSBDPSA-N 2 0 352.504 0.834 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC000423644382 247090343 /nfs/dbraw/zinc/09/03/43/247090343.db2.gz DHYRAYCPBGNRRE-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1c1ccccc1 ZINC000423652126 247095164 /nfs/dbraw/zinc/09/51/64/247095164.db2.gz SKVCDJUOCOJNBW-OKZBNKHCSA-N 2 0 354.454 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423659559 247099120 /nfs/dbraw/zinc/09/91/20/247099120.db2.gz ZPJUZNINRDJUID-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP COCC[C@@]1(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC[NH2+]C1 ZINC000423758781 247139015 /nfs/dbraw/zinc/13/90/15/247139015.db2.gz NPVPGTLYOZDDCS-SFHVURJKSA-N 2 0 355.479 0.394 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423756205 247139026 /nfs/dbraw/zinc/13/90/26/247139026.db2.gz GITFHBDIAXEWPB-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423700751 247116651 /nfs/dbraw/zinc/11/66/51/247116651.db2.gz UWZSPEZAMJLWEH-GOSISDBHSA-N 2 0 350.463 0.757 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1c1ccccc1F ZINC000423715269 247122977 /nfs/dbraw/zinc/12/29/77/247122977.db2.gz UOHSARXOXVYYEP-QILLFSRXSA-N 2 0 372.444 0.552 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000423721251 247125692 /nfs/dbraw/zinc/12/56/92/247125692.db2.gz FITXFEKCCNERQN-OKZBNKHCSA-N 2 0 372.444 0.552 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@@H]1C[NH3+] ZINC000423722506 247125955 /nfs/dbraw/zinc/12/59/55/247125955.db2.gz FXBYIWWCNBSLDR-DJIMGWMZSA-N 2 0 350.507 0.763 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000423723790 247126189 /nfs/dbraw/zinc/12/61/89/247126189.db2.gz HHVMPJJXSQBIFZ-PMPSAXMXSA-N 2 0 359.536 0.732 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C1 ZINC000423724428 247127097 /nfs/dbraw/zinc/12/70/97/247127097.db2.gz HELAWIADQMYRQS-GVDBMIGSSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423730593 247130548 /nfs/dbraw/zinc/13/05/48/247130548.db2.gz LKEQVLKCIVRUAP-WBVHZDCISA-N 2 0 366.506 0.143 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423747786 247137620 /nfs/dbraw/zinc/13/76/20/247137620.db2.gz PZLYEEDWIHZODM-HZPDHXFCSA-N 2 0 355.479 0.631 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000424142665 247172417 /nfs/dbraw/zinc/17/24/17/247172417.db2.gz IQIKHDUFRYGKRA-MRXNPFEDSA-N 2 0 362.478 0.387 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000424138718 247172536 /nfs/dbraw/zinc/17/25/36/247172536.db2.gz UQRCVZCHYSNTFZ-INIZCTEOSA-N 2 0 362.478 0.387 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1)CC[NH2+]CC2 ZINC000424491663 247238564 /nfs/dbraw/zinc/23/85/64/247238564.db2.gz FDNJLZUTHYCWRT-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424518711 247248883 /nfs/dbraw/zinc/24/88/83/247248883.db2.gz IKSGXPGZTLGBHG-OKZBNKHCSA-N 2 0 356.470 0.588 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444692 247217199 /nfs/dbraw/zinc/21/71/99/247217199.db2.gz DHNYPXAOWPCFAY-INIZCTEOSA-N 2 0 350.463 0.865 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000424458588 247223880 /nfs/dbraw/zinc/22/38/80/247223880.db2.gz UFFZDBYKFVXGGZ-UHFFFAOYSA-N 2 0 362.474 0.744 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425382826 247329518 /nfs/dbraw/zinc/32/95/18/247329518.db2.gz IBODTRVCBBMEOV-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425382827 247330685 /nfs/dbraw/zinc/33/06/85/247330685.db2.gz IBODTRVCBBMEOV-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1=O ZINC000425310496 247321376 /nfs/dbraw/zinc/32/13/76/247321376.db2.gz FEKZRQRSOMTKIT-QGZVFWFLSA-N 2 0 368.522 0.402 20 0 FCADRP CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625471 248004278 /nfs/dbraw/zinc/00/42/78/248004278.db2.gz LQGHAMBCCWWKBE-ROUUACIJSA-N 2 0 354.539 0.923 20 0 FCADRP C[C@@H]1[NH2+]CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000436047722 248029332 /nfs/dbraw/zinc/02/93/32/248029332.db2.gz JBPLKSFRJZQBCW-IRXDYDNUSA-N 2 0 352.523 0.820 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436058181 248031158 /nfs/dbraw/zinc/03/11/58/248031158.db2.gz IAVDEZDBITUVGN-QGZVFWFLSA-N 2 0 367.538 0.295 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000442597539 248292245 /nfs/dbraw/zinc/29/22/45/248292245.db2.gz YKKVJBYRVPYEGN-UHFFFAOYSA-N 2 0 369.554 0.501 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763221 248295230 /nfs/dbraw/zinc/29/52/30/248295230.db2.gz IHDFQZCUEQKQQQ-SJORKVTESA-N 3 0 352.523 0.807 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442760908 248295696 /nfs/dbraw/zinc/29/56/96/248295696.db2.gz OHKIVHOFZXBTDL-IPYPFGDCSA-N 2 0 368.503 0.050 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039831 248346481 /nfs/dbraw/zinc/34/64/81/248346481.db2.gz YYEUQDKDNINUGF-LSDHHAIUSA-N 2 0 351.499 0.934 20 0 FCADRP CC1[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)[C@@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449815405 248467322 /nfs/dbraw/zinc/46/73/22/248467322.db2.gz QLQJRUVEEQHZPA-WNRNVDISSA-N 2 0 364.534 0.781 20 0 FCADRP OC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000447909816 248433487 /nfs/dbraw/zinc/43/34/87/248433487.db2.gz DRVANTSPFNWZLP-FGYAAKKASA-N 2 0 364.486 0.946 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccn1 ZINC000452359876 249312396 /nfs/dbraw/zinc/31/23/96/249312396.db2.gz HUYQUAMWWHWIGX-INIZCTEOSA-N 2 0 350.463 0.599 20 0 FCADRP C[N@H+](C[C@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038563 249343096 /nfs/dbraw/zinc/34/30/96/249343096.db2.gz NUVHVMDSVRFUHD-OKZBNKHCSA-N 2 0 357.454 0.559 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000452566567 249322244 /nfs/dbraw/zinc/32/22/44/249322244.db2.gz XWFUVODJJRCBTI-FXUDXRNXSA-N 2 0 352.523 0.783 20 0 FCADRP C[NH+](C)CCOCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000471643240 250111806 /nfs/dbraw/zinc/11/18/06/250111806.db2.gz PKVPUHDRCSYLJW-UHFFFAOYSA-N 2 0 356.511 0.709 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472277688 250143236 /nfs/dbraw/zinc/14/32/36/250143236.db2.gz MYXSSENVHSKXBC-QGZVFWFLSA-N 2 0 354.495 0.110 20 0 FCADRP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)CN1CC[NH+](C)CC1 ZINC000472679015 250173056 /nfs/dbraw/zinc/17/30/56/250173056.db2.gz RYPGXOGHUOKQEL-INIZCTEOSA-N 2 0 368.547 0.910 20 0 FCADRP CC(C)N(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000473021330 250195095 /nfs/dbraw/zinc/19/50/95/250195095.db2.gz IWSMJLYTINTNPX-IAGOWNOFSA-N 2 0 368.522 0.545 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000473935606 250257527 /nfs/dbraw/zinc/25/75/27/250257527.db2.gz BTUGZDFEQPGSJN-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000480942872 250297980 /nfs/dbraw/zinc/29/79/80/250297980.db2.gz WIUGTCWHVAQTNY-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000481023057 250309130 /nfs/dbraw/zinc/30/91/30/250309130.db2.gz ZZQXVPALAPVUHP-QXSJWSMHSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000481200142 250320887 /nfs/dbraw/zinc/32/08/87/250320887.db2.gz OZCKBLXLPQMUJA-OWCLPIDISA-N 2 0 361.490 0.973 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783773 250358743 /nfs/dbraw/zinc/35/87/43/250358743.db2.gz RWICOSOBYAVOGY-SJLPKXTDSA-N 2 0 369.579 0.845 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCSC1 ZINC000481784468 250360168 /nfs/dbraw/zinc/36/01/68/250360168.db2.gz SWOUJPYVORTXBE-QGZVFWFLSA-N 2 0 358.552 0.912 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539417 250340594 /nfs/dbraw/zinc/34/05/94/250340594.db2.gz JFARQSHCAXNGIQ-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000482034104 250374380 /nfs/dbraw/zinc/37/43/80/250374380.db2.gz QDCYRIHZYDZEAV-GFCCVEGCSA-N 2 0 364.412 0.539 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000482027128 250374583 /nfs/dbraw/zinc/37/45/83/250374583.db2.gz RWJNKSVDQIVHJU-UHFFFAOYSA-N 2 0 354.539 0.973 20 0 FCADRP CCCC(=O)N1CSC[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482016195 250374610 /nfs/dbraw/zinc/37/46/10/250374610.db2.gz KURAHMGIIMEVDI-HNNXBMFYSA-N 2 0 356.536 0.830 20 0 FCADRP C[C@H](C(=O)N(C)CC(=O)NCCN1CCC([NH+](C)C)CC1)n1cccn1 ZINC000482031711 250374877 /nfs/dbraw/zinc/37/48/77/250374877.db2.gz NFLGHHKUVOWEFZ-OAHLLOKOSA-N 2 0 364.494 0.045 20 0 FCADRP NC(=O)C[C@H](N)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000269683400 211044272 /nfs/dbraw/zinc/04/42/72/211044272.db2.gz IQMVVRNEVHJANB-HNNXBMFYSA-N 2 0 367.881 0.171 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@H+](C)C1 ZINC000413052904 532994743 /nfs/dbraw/zinc/99/47/43/532994743.db2.gz IRRMZNYJPWUMCJ-CVEARBPZSA-N 2 0 370.494 0.089 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC[N@H+](C)C1 ZINC000413375536 532995022 /nfs/dbraw/zinc/99/50/22/532995022.db2.gz MXULALXZPHHQEN-HZPDHXFCSA-N 2 0 354.495 0.711 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+](C)C1 ZINC000413346627 532995606 /nfs/dbraw/zinc/99/56/06/532995606.db2.gz IIKCXUDDYKXLBU-CJNGLKHVSA-N 2 0 358.508 0.170 20 0 FCADRP COCCN(CCO)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000104958852 208190333 /nfs/dbraw/zinc/19/03/33/208190333.db2.gz AHVBSLWOWAUABT-UHFFFAOYSA-N 2 0 363.502 0.970 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000105319591 208199166 /nfs/dbraw/zinc/19/91/66/208199166.db2.gz WWYUECQBMLDLPH-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112213484 208290644 /nfs/dbraw/zinc/29/06/44/208290644.db2.gz BNUFKDUDEMISGT-QGZVFWFLSA-N 2 0 356.511 0.709 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC000118494843 208350900 /nfs/dbraw/zinc/35/09/00/208350900.db2.gz OUHBDUSMRZCRFJ-GJZGRUSLSA-N 2 0 359.474 0.445 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C)c1 ZINC000120358980 208381177 /nfs/dbraw/zinc/38/11/77/208381177.db2.gz JWFBHQKSIBWMLU-SJLPKXTDSA-N 2 0 352.479 0.910 20 0 FCADRP COc1cccc([C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C)c1 ZINC000120358814 208382778 /nfs/dbraw/zinc/38/27/78/208382778.db2.gz JWFBHQKSIBWMLU-WMZOPIPTSA-N 2 0 352.479 0.910 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[N@@H+]1C1CC1 ZINC000120595749 208385508 /nfs/dbraw/zinc/38/55/08/208385508.db2.gz UZWIKQNTDGLANQ-INMHGKMJSA-N 2 0 363.506 0.560 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000120171130 208375700 /nfs/dbraw/zinc/37/57/00/208375700.db2.gz AOSYAHKMUPQICP-QGZVFWFLSA-N 2 0 356.511 0.633 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000176603867 209005593 /nfs/dbraw/zinc/00/55/93/209005593.db2.gz HRIYTTBCXFGFLZ-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP C(C[NH+]1CC[C@@H](C2OCCO2)C1)OCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932002892 674161874 /nfs/dbraw/zinc/16/18/74/674161874.db2.gz KMSHQXLHSDRJLM-IYBDPMFKSA-N 2 0 356.463 0.393 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)NCC[NH+]3CCC(O)CC3)cn2)CC1 ZINC000932144318 674170069 /nfs/dbraw/zinc/17/00/69/674170069.db2.gz YERQFZCKWDBCRL-UHFFFAOYSA-N 2 0 350.467 0.728 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000179279531 209075995 /nfs/dbraw/zinc/07/59/95/209075995.db2.gz PALJMDFVNZFVFV-UHFFFAOYSA-N 2 0 355.527 0.111 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000188442896 229248414 /nfs/dbraw/zinc/24/84/14/229248414.db2.gz DAKIKFZCYVTHAO-INIZCTEOSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466550 230089839 /nfs/dbraw/zinc/08/98/39/230089839.db2.gz IZIZCYICTGPOLK-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410473338 230093291 /nfs/dbraw/zinc/09/32/91/230093291.db2.gz JFRQFNXKBQMBKB-NVXWUHKLSA-N 2 0 350.507 0.729 20 0 FCADRP O=C(C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000410795702 230252059 /nfs/dbraw/zinc/25/20/59/230252059.db2.gz XSKZUZIVEJXSQK-NVXWUHKLSA-N 2 0 356.426 0.534 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410956766 230325798 /nfs/dbraw/zinc/32/57/98/230325798.db2.gz ZKFQNWQPEUJCTQ-HOTGVXAUSA-N 2 0 350.507 0.872 20 0 FCADRP CN1CCN(S(=O)(=O)c2ccc(NCC(C)(C)[NH+](C)C)nc2)CC1 ZINC000301055987 488875908 /nfs/dbraw/zinc/87/59/08/488875908.db2.gz IOHHHCRBNRAXAR-UHFFFAOYSA-N 2 0 355.508 0.770 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278956731 488907473 /nfs/dbraw/zinc/90/74/73/488907473.db2.gz HQHVHCDSZMUOPD-CQSZACIVSA-N 2 0 362.478 0.113 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000049279492 488094664 /nfs/dbraw/zinc/09/46/64/488094664.db2.gz XPALZNUCOADCKU-UHFFFAOYSA-N 2 0 361.490 0.440 20 0 FCADRP C[NH+](CCNC(=O)c1cncc(C(=O)NCC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000066924024 488340616 /nfs/dbraw/zinc/34/06/16/488340616.db2.gz VIWDLDVEQBRWEC-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000562821341 491192764 /nfs/dbraw/zinc/19/27/64/491192764.db2.gz OCMZHGJSHCWWHF-ROUUACIJSA-N 2 0 373.501 0.041 20 0 FCADRP [NH3+]C1(CNCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCC1 ZINC000569811453 491194151 /nfs/dbraw/zinc/19/41/51/491194151.db2.gz YFBVGWOZAHUWBD-UHFFFAOYSA-N 2 0 366.487 0.881 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000074249381 488389346 /nfs/dbraw/zinc/38/93/46/488389346.db2.gz AYXRAZRWKSODLB-MRXNPFEDSA-N 2 0 364.490 0.888 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315938 488390087 /nfs/dbraw/zinc/39/00/87/488390087.db2.gz BROQIMZNGVPOQN-DLBZAZTESA-N 2 0 350.507 0.587 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345148 488390937 /nfs/dbraw/zinc/39/09/37/488390937.db2.gz RCJZIJJUUXOQJW-QGZVFWFLSA-N 2 0 367.538 0.947 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000076324767 488403562 /nfs/dbraw/zinc/40/35/62/488403562.db2.gz KGICLRYSJACDGW-UHFFFAOYSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000554336682 491196215 /nfs/dbraw/zinc/19/62/15/491196215.db2.gz IJWPVQUBDCQYTB-OAGGEKHMSA-N 2 0 354.495 0.155 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000077772402 488417697 /nfs/dbraw/zinc/41/76/97/488417697.db2.gz TZABJFHQFXMQGT-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP CCN1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000194230863 488431629 /nfs/dbraw/zinc/43/16/29/488431629.db2.gz HUPYQHKVICEAMW-UHFFFAOYSA-N 2 0 360.458 0.621 20 0 FCADRP CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080213437 488434410 /nfs/dbraw/zinc/43/44/10/488434410.db2.gz DSEDVMGFHMLQEG-UHFFFAOYSA-N 2 0 355.527 0.816 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000195142504 488435726 /nfs/dbraw/zinc/43/57/26/488435726.db2.gz UGSLRCAADUZQTE-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000195139849 488435902 /nfs/dbraw/zinc/43/59/02/488435902.db2.gz UQAOGNFUFTUEKC-HOTGVXAUSA-N 2 0 356.511 0.896 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565260 488435925 /nfs/dbraw/zinc/43/59/25/488435925.db2.gz BQUOAMCRIQEFRU-HNNXBMFYSA-N 2 0 363.510 0.782 20 0 FCADRP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000228321613 488451796 /nfs/dbraw/zinc/45/17/96/488451796.db2.gz WRLVATVYLRALSG-SOLBZPMBSA-N 2 0 368.522 0.353 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1)[C@H]1CCC[NH2+]1 ZINC000245537363 488464877 /nfs/dbraw/zinc/46/48/77/488464877.db2.gz IVGMXPHDIMPPOZ-KFKAGJAMSA-N 2 0 370.497 0.980 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445215 488473119 /nfs/dbraw/zinc/47/31/19/488473119.db2.gz UJCVBHTUAMTGRM-MSOLQXFVSA-N 2 0 369.554 0.765 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1=O ZINC000247117974 488482092 /nfs/dbraw/zinc/48/20/92/488482092.db2.gz LCMGCMDVOCAXCS-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000269256380 488483239 /nfs/dbraw/zinc/48/32/39/488483239.db2.gz JZOGMTKJCQJWKF-QZTJIDSGSA-N 2 0 374.485 0.379 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000247292881 488484203 /nfs/dbraw/zinc/48/42/03/488484203.db2.gz UGGSQASDEFATKS-WBVHZDCISA-N 2 0 363.506 0.419 20 0 FCADRP CN(C(=O)CSCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000247387981 488485852 /nfs/dbraw/zinc/48/58/52/488485852.db2.gz LVSIHGCKZUBXLW-HOTGVXAUSA-N 2 0 370.563 0.825 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000247665957 488489159 /nfs/dbraw/zinc/48/91/59/488489159.db2.gz YSGOVVAGILOHJM-FGTMMUONSA-N 2 0 368.522 0.726 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000248003075 488492878 /nfs/dbraw/zinc/49/28/78/488492878.db2.gz KOXKWTWCXGUHGI-IAGOWNOFSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248464688 488497462 /nfs/dbraw/zinc/49/74/62/488497462.db2.gz ZQGSLPYNDVMONX-IEBWSBKVSA-N 2 0 364.490 0.365 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000248636920 488499780 /nfs/dbraw/zinc/49/97/80/488499780.db2.gz QMXGSHDXTWMARW-IXDOHACOSA-N 2 0 368.522 0.584 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000103301720 488500608 /nfs/dbraw/zinc/50/06/08/488500608.db2.gz WOUHPOYIJADAED-UHFFFAOYSA-N 2 0 363.506 0.563 20 0 FCADRP C[C@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000103308141 488500952 /nfs/dbraw/zinc/50/09/52/488500952.db2.gz SVJBXZMXEIJMNM-QGZVFWFLSA-N 2 0 365.522 0.668 20 0 FCADRP COc1ccnc(CNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000569922586 491203461 /nfs/dbraw/zinc/20/34/61/491203461.db2.gz KLBZDEALFPDWQK-XYPWUTKMSA-N 2 0 374.489 0.938 20 0 FCADRP C[C@H](CO)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H](C)O ZINC000248927141 488504509 /nfs/dbraw/zinc/50/45/09/488504509.db2.gz LUJNUXMAHRYKLW-SJORKVTESA-N 2 0 363.502 0.962 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000249110661 488506123 /nfs/dbraw/zinc/50/61/23/488506123.db2.gz MMCFDDPBRRJGLV-IRXDYDNUSA-N 2 0 369.554 0.357 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CN1CCOCC1 ZINC000249087594 488506231 /nfs/dbraw/zinc/50/62/31/488506231.db2.gz FZJNTNWEDJTKEC-HOTGVXAUSA-N 2 0 356.511 0.441 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H](C)O1 ZINC000249117460 488506834 /nfs/dbraw/zinc/50/68/34/488506834.db2.gz ONPCEVOVIQHBQQ-GVDBMIGSSA-N 2 0 370.538 0.972 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000554459603 491203802 /nfs/dbraw/zinc/20/38/02/491203802.db2.gz SEWSRTASPLJUMH-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000105233569 488508961 /nfs/dbraw/zinc/50/89/61/488508961.db2.gz PKMAPBWMFYUORC-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000554462047 491204067 /nfs/dbraw/zinc/20/40/67/491204067.db2.gz UGMJRGQCSLJDJW-ZMSDIMECSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000108562655 488519458 /nfs/dbraw/zinc/51/94/58/488519458.db2.gz HYIRRZUFVUURGF-NVXWUHKLSA-N 2 0 356.536 0.835 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000261641928 488529030 /nfs/dbraw/zinc/52/90/30/488529030.db2.gz IJJMAPUIEXVICI-CQSZACIVSA-N 2 0 352.866 0.743 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@@H](C)O1 ZINC000261695163 488531577 /nfs/dbraw/zinc/53/15/77/488531577.db2.gz DHTIZAFCVJDYNW-QBPKDAKJSA-N 2 0 366.506 0.202 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000261699998 488532004 /nfs/dbraw/zinc/53/20/04/488532004.db2.gz OPZNPHVPMJLERO-HNNXBMFYSA-N 2 0 350.438 0.271 20 0 FCADRP C[C@@H]1C[NH2+]CCN1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000261915251 488541480 /nfs/dbraw/zinc/54/14/80/488541480.db2.gz ZCLMWDCTCFFODK-MRXNPFEDSA-N 2 0 358.486 0.559 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000261921387 488542068 /nfs/dbraw/zinc/54/20/68/488542068.db2.gz XPHVTHLGGTUICJ-ZWKOTPCHSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1=O ZINC000118870371 488554917 /nfs/dbraw/zinc/55/49/17/488554917.db2.gz RRZBEYIEQKMZNQ-HZPDHXFCSA-N 2 0 362.474 0.943 20 0 FCADRP COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000120156431 488560297 /nfs/dbraw/zinc/56/02/97/488560297.db2.gz HYWXOXKRJYFAIA-UHFFFAOYSA-N 2 0 361.450 0.236 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262269854 488560572 /nfs/dbraw/zinc/56/05/72/488560572.db2.gz SGOHHUOFNZCBPC-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000262342594 488565192 /nfs/dbraw/zinc/56/51/92/488565192.db2.gz GIEVAIPNFNBUSZ-YESZJQIVSA-N 2 0 360.458 0.514 20 0 FCADRP COc1cc(CNC(=O)C[C@H]2COCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000262466448 488571750 /nfs/dbraw/zinc/57/17/50/488571750.db2.gz XWXORGFWTZXUNJ-HNNXBMFYSA-N 2 0 351.447 0.630 20 0 FCADRP C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C1CC[NH2+]CC1 ZINC000262512545 488574668 /nfs/dbraw/zinc/57/46/68/488574668.db2.gz NZYUGDRMHHGODA-ZDUSSCGKSA-N 2 0 368.503 0.888 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000122167155 488575879 /nfs/dbraw/zinc/57/58/79/488575879.db2.gz MTNXJYZDRVQMMW-IAGOWNOFSA-N 2 0 369.554 0.811 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000122359953 488577670 /nfs/dbraw/zinc/57/76/70/488577670.db2.gz GDPPMDNAGOYBRW-INIZCTEOSA-N 2 0 358.552 0.960 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccn2)C1)C[NH+]1CCN(C)CC1 ZINC000122469779 488578617 /nfs/dbraw/zinc/57/86/17/488578617.db2.gz BWWBGWKRRVWOPQ-IAGOWNOFSA-N 2 0 360.506 0.843 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530923 488586503 /nfs/dbraw/zinc/58/65/03/488586503.db2.gz AMFDAZRWZRTGCF-AWEZNQCLSA-N 2 0 360.462 0.511 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262836289 488596334 /nfs/dbraw/zinc/59/63/34/488596334.db2.gz QUCYPSQNYBWWNS-QGZVFWFLSA-N 2 0 362.522 0.811 20 0 FCADRP Cc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000262943906 488600423 /nfs/dbraw/zinc/60/04/23/488600423.db2.gz AIXUQYZMGNAXOC-INIZCTEOSA-N 2 0 350.467 0.496 20 0 FCADRP Cc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c(OCC[NH+](C)C)c1 ZINC000262949466 488600590 /nfs/dbraw/zinc/60/05/90/488600590.db2.gz BQUWSYOPGWCEQO-KRWDZBQOSA-N 2 0 350.463 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573051 488602353 /nfs/dbraw/zinc/60/23/53/488602353.db2.gz VNYXIIVCTXJPKO-MRXNPFEDSA-N 2 0 374.489 0.371 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000263277403 488608941 /nfs/dbraw/zinc/60/89/41/488608941.db2.gz YVKHFHISWVZHDB-HOCLYGCPSA-N 2 0 354.495 0.236 20 0 FCADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(C)CC1 ZINC000263667978 488617279 /nfs/dbraw/zinc/61/72/79/488617279.db2.gz IGKLEEVMBIJYBD-SFHVURJKSA-N 2 0 374.533 0.346 20 0 FCADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000127597040 488618482 /nfs/dbraw/zinc/61/84/82/488618482.db2.gz ICXOCOPMYQHMKA-LSDHHAIUSA-N 2 0 354.520 0.881 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCn1cncn1 ZINC000263831296 488629767 /nfs/dbraw/zinc/62/97/67/488629767.db2.gz NIANYDIAURBUBZ-UHFFFAOYSA-N 2 0 358.450 0.185 20 0 FCADRP CN1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000129387465 488630876 /nfs/dbraw/zinc/63/08/76/488630876.db2.gz UCCWFQZXGDUFSC-MOPGFXCFSA-N 2 0 358.486 0.346 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000130531841 488638333 /nfs/dbraw/zinc/63/83/33/488638333.db2.gz BVCVMDWFECMDTQ-UHFFFAOYSA-N 2 0 360.409 0.039 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000132062854 488650628 /nfs/dbraw/zinc/65/06/28/488650628.db2.gz JIHWDWFVYMAEAS-YJBOKZPZSA-N 2 0 358.486 0.747 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000133159063 488657600 /nfs/dbraw/zinc/65/76/00/488657600.db2.gz MQSFSJHZTYQZSG-INIZCTEOSA-N 2 0 372.473 0.802 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000133159264 488657674 /nfs/dbraw/zinc/65/76/74/488657674.db2.gz MQSFSJHZTYQZSG-MRXNPFEDSA-N 2 0 372.473 0.802 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C ZINC000133870646 488662517 /nfs/dbraw/zinc/66/25/17/488662517.db2.gz WKOMABSYKUSMQD-CQSZACIVSA-N 2 0 352.483 0.476 20 0 FCADRP C[N@H+](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCSC1 ZINC000136256585 488677189 /nfs/dbraw/zinc/67/71/89/488677189.db2.gz INTRPBWDBMBVLV-MRXNPFEDSA-N 2 0 363.531 0.887 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000264488695 488678756 /nfs/dbraw/zinc/67/87/56/488678756.db2.gz PFKHQDIKRMZLCT-IAGOWNOFSA-N 2 0 361.490 0.928 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151157728 488702517 /nfs/dbraw/zinc/70/25/17/488702517.db2.gz RMROTVUAWAIAPO-AWEZNQCLSA-N 2 0 350.467 0.374 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000264766721 488709337 /nfs/dbraw/zinc/70/93/37/488709337.db2.gz VBVGYTCAAHOXLP-QGZVFWFLSA-N 2 0 363.506 0.672 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@H](C)C1 ZINC000151980050 488712048 /nfs/dbraw/zinc/71/20/48/488712048.db2.gz GZRNLPCHLZCZLG-AEFFLSMTSA-N 2 0 354.539 0.923 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2)CC1 ZINC000274510844 488715399 /nfs/dbraw/zinc/71/53/99/488715399.db2.gz LHEDAEIIEOMXCZ-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1cccc(O)c1 ZINC000274537651 488717521 /nfs/dbraw/zinc/71/75/21/488717521.db2.gz VIZFYEDMWHOADB-UHFFFAOYSA-N 2 0 364.490 0.854 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000266870512 488739217 /nfs/dbraw/zinc/73/92/17/488739217.db2.gz XLYZOHVSHZQDGO-IBGZPJMESA-N 2 0 359.518 0.561 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000155138770 488751636 /nfs/dbraw/zinc/75/16/36/488751636.db2.gz ROPXZLHZJAYCOS-OAHLLOKOSA-N 2 0 364.494 0.477 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000155639419 488757149 /nfs/dbraw/zinc/75/71/49/488757149.db2.gz RCRGDGQWDUWKIY-UHFFFAOYSA-N 2 0 363.506 0.666 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000157330924 488770807 /nfs/dbraw/zinc/77/08/07/488770807.db2.gz OOOFLSSXOIIUBU-OAHLLOKOSA-N 2 0 351.520 0.872 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506128 488778393 /nfs/dbraw/zinc/77/83/93/488778393.db2.gz ODIRAKFDYCPHSE-SJORKVTESA-N 2 0 367.538 0.911 20 0 FCADRP CCOC(=O)N1CCN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158737766 488780004 /nfs/dbraw/zinc/78/00/04/488780004.db2.gz NYAGCYOEYVWWDK-HZPDHXFCSA-N 2 0 352.479 0.703 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000267421418 488785257 /nfs/dbraw/zinc/78/52/57/488785257.db2.gz ZOSREOFFIHTQCZ-INIZCTEOSA-N 2 0 362.474 0.832 20 0 FCADRP O=C(NCCN1CCOCC1)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000166186202 488811405 /nfs/dbraw/zinc/81/14/05/488811405.db2.gz LAYWUXQQPCPZES-UHFFFAOYSA-N 2 0 360.458 0.687 20 0 FCADRP C[C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000167410728 488812274 /nfs/dbraw/zinc/81/22/74/488812274.db2.gz CROWUYSIROGSED-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)on1 ZINC000170628278 488814177 /nfs/dbraw/zinc/81/41/77/488814177.db2.gz FNCGHASETVYOHU-AWEZNQCLSA-N 2 0 351.451 0.796 20 0 FCADRP Cc1cccn2c(=O)cc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)nc12 ZINC000171658361 488825429 /nfs/dbraw/zinc/82/54/29/488825429.db2.gz MBCNAPKMLBNGCU-UHFFFAOYSA-N 2 0 371.485 0.893 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000267880738 488827043 /nfs/dbraw/zinc/82/70/43/488827043.db2.gz GJEAXLIXTVCSEA-HNNXBMFYSA-N 2 0 374.445 0.679 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172789135 488837983 /nfs/dbraw/zinc/83/79/83/488837983.db2.gz FDKLNEMIHJCQKR-IBGZPJMESA-N 2 0 373.545 0.951 20 0 FCADRP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000172809965 488838250 /nfs/dbraw/zinc/83/82/50/488838250.db2.gz YZDFTNUQENRBGT-LJQANCHMSA-N 2 0 373.545 0.951 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000173398855 488842582 /nfs/dbraw/zinc/84/25/82/488842582.db2.gz QICMSEXQQDUFNG-MRXNPFEDSA-N 2 0 355.527 0.280 20 0 FCADRP C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000173741553 488844999 /nfs/dbraw/zinc/84/49/99/488844999.db2.gz UFIXZNMYXUMQED-QGZVFWFLSA-N 2 0 368.570 0.195 20 0 FCADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949835 488846359 /nfs/dbraw/zinc/84/63/59/488846359.db2.gz ZXABMGLERWPLFT-UHFFFAOYSA-N 2 0 363.506 0.955 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCNS(=O)(=O)c1ccccc1 ZINC000174729732 488851040 /nfs/dbraw/zinc/85/10/40/488851040.db2.gz HQJPBRJKMPNESO-UHFFFAOYSA-N 2 0 354.520 0.534 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(C[NH+](C)C)c2)cn1 ZINC000176869359 488858944 /nfs/dbraw/zinc/85/89/44/488858944.db2.gz APESGXIFQGRPTG-UHFFFAOYSA-N 2 0 372.473 0.875 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000178472794 488860319 /nfs/dbraw/zinc/86/03/19/488860319.db2.gz ISLRIKXHAIDRKX-KRWDZBQOSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000179311959 488861007 /nfs/dbraw/zinc/86/10/07/488861007.db2.gz FXDZPCBYAXKWBE-UHFFFAOYSA-N 2 0 369.554 0.501 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000181077408 488862904 /nfs/dbraw/zinc/86/29/04/488862904.db2.gz NZZWLGNGROCMAG-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)CCN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181101294 488862964 /nfs/dbraw/zinc/86/29/64/488862964.db2.gz LRGURPWLHDSERT-SOUVJXGZSA-N 2 0 352.479 0.890 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000364734417 488994577 /nfs/dbraw/zinc/99/45/77/488994577.db2.gz KFSIJRWMRMHGDO-GGXPGOJBSA-N 2 0 351.491 0.700 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000570266369 491228626 /nfs/dbraw/zinc/22/86/26/491228626.db2.gz WIGABKYKNWKFHH-MRXNPFEDSA-N 2 0 350.438 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000365143967 489043026 /nfs/dbraw/zinc/04/30/26/489043026.db2.gz NRBDPEBHVNTTAU-IXDOHACOSA-N 2 0 368.522 0.584 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000365413212 489073783 /nfs/dbraw/zinc/07/37/83/489073783.db2.gz HJNAIADPSIEGHM-UHFFFAOYSA-N 2 0 352.523 0.775 20 0 FCADRP C[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H](C)N1CCO ZINC000365420779 489073997 /nfs/dbraw/zinc/07/39/97/489073997.db2.gz GWKCTHGWAWAFSY-GASCZTMLSA-N 2 0 364.494 1.069 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000365523834 489084479 /nfs/dbraw/zinc/08/44/79/489084479.db2.gz JBWOGHLBJFXUGN-IBGZPJMESA-N 2 0 360.502 0.885 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298786 489089144 /nfs/dbraw/zinc/08/91/44/489089144.db2.gz HPKVNYGUGLDDAY-JKSUJKDBSA-N 2 0 366.506 0.108 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000330311768 489090382 /nfs/dbraw/zinc/09/03/82/489090382.db2.gz VZOMTNMLGNGIFG-OLZOCXBDSA-N 2 0 360.462 0.750 20 0 FCADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289964515 489105573 /nfs/dbraw/zinc/10/55/73/489105573.db2.gz XDXYCOSJAVVCNS-SFHVURJKSA-N 2 0 366.531 0.939 20 0 FCADRP O=C(C[C@@H]1CCCC(=O)N1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290051434 489110845 /nfs/dbraw/zinc/11/08/45/489110845.db2.gz ZXQBHQWNMVAIPC-INIZCTEOSA-N 2 0 359.474 0.769 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000365805900 489115076 /nfs/dbraw/zinc/11/50/76/489115076.db2.gz DQMMWNNJFYZNNH-MRXNPFEDSA-N 2 0 365.478 0.494 20 0 FCADRP CN(C)CCN(C(=O)[C@@H]1CCCc2nccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000365994946 489133302 /nfs/dbraw/zinc/13/33/02/489133302.db2.gz GKUFYBJJCSSQOR-KGLIPLIRSA-N 2 0 354.476 0.338 20 0 FCADRP Cc1nnnn1-c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000570361682 491235943 /nfs/dbraw/zinc/23/59/43/491235943.db2.gz TTYZUJVTERFVHH-UHFFFAOYSA-N 2 0 363.441 0.675 20 0 FCADRP [NH3+][C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000282397345 489160436 /nfs/dbraw/zinc/16/04/36/489160436.db2.gz BTXICWRYIUTBCL-SFHVURJKSA-N 3 0 361.490 0.464 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(C(=O)NC3CC[NH+](C)CC3)nc2)CC1 ZINC000291482147 489173593 /nfs/dbraw/zinc/17/35/93/489173593.db2.gz RCVTXFGMXJAPTP-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000570390064 491237749 /nfs/dbraw/zinc/23/77/49/491237749.db2.gz HASGAIJZAGIQLE-MKXAEBJUSA-N 2 0 357.495 0.072 20 0 FCADRP C[C@@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000295429541 489193733 /nfs/dbraw/zinc/19/37/33/489193733.db2.gz VUDWMJXOGDFQIQ-GJZGRUSLSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000331371326 489202620 /nfs/dbraw/zinc/20/26/20/489202620.db2.gz AZZIPLJSICYPIZ-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1[NH+](C)C ZINC000331381239 489204099 /nfs/dbraw/zinc/20/40/99/489204099.db2.gz FNPUZAHQJSCVGP-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408584 489207609 /nfs/dbraw/zinc/20/76/09/489207609.db2.gz IWHNYXGFSNBGMU-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331426105 489209275 /nfs/dbraw/zinc/20/92/75/489209275.db2.gz POPGDJQAPVAHII-QAETUUGQSA-N 2 0 350.507 0.905 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000297604513 489212924 /nfs/dbraw/zinc/21/29/24/489212924.db2.gz BSBZEEFCPZCPOE-INIZCTEOSA-N 2 0 364.490 0.970 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283133892 489218194 /nfs/dbraw/zinc/21/81/94/489218194.db2.gz BJWFTGCOPTZLAM-INIZCTEOSA-N 2 0 350.463 0.100 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690138 489224700 /nfs/dbraw/zinc/22/47/00/489224700.db2.gz FERKQZXRVYQHEN-WMLDXEAASA-N 2 0 357.458 0.701 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283328569 489246018 /nfs/dbraw/zinc/24/60/18/489246018.db2.gz GCNXGNXAWJXAAL-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532032 489271219 /nfs/dbraw/zinc/27/12/19/489271219.db2.gz RGGBWKKGWGXVGG-NVXWUHKLSA-N 2 0 358.486 0.976 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820630 489278882 /nfs/dbraw/zinc/27/88/82/489278882.db2.gz CHSLUMQYJBPXJB-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000283627526 489282893 /nfs/dbraw/zinc/28/28/93/489282893.db2.gz WKQGXXPKHHSODZ-UHFFFAOYSA-N 2 0 364.490 0.319 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298204323 489303716 /nfs/dbraw/zinc/30/37/16/489303716.db2.gz XTKZGQYZPUGJQX-SFHVURJKSA-N 2 0 360.502 0.987 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285878785 489329779 /nfs/dbraw/zinc/32/97/79/489329779.db2.gz BXLODNPCZHXWDU-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297792 489340510 /nfs/dbraw/zinc/34/05/10/489340510.db2.gz HJMAWARMQONOLR-DLBZAZTESA-N 2 0 369.554 0.668 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000286035033 489349136 /nfs/dbraw/zinc/34/91/36/489349136.db2.gz RJBGMWWXICXIAT-INIZCTEOSA-N 2 0 364.490 0.318 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000286037287 489349364 /nfs/dbraw/zinc/34/93/64/489349364.db2.gz RJBGMWWXICXIAT-MRXNPFEDSA-N 2 0 364.490 0.318 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000370516803 489369551 /nfs/dbraw/zinc/36/95/51/489369551.db2.gz CEJPYQQZSYSKRY-SFHVURJKSA-N 2 0 353.507 0.935 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000563481620 491250520 /nfs/dbraw/zinc/25/05/20/491250520.db2.gz FEKGYDZVIRNSRO-KRWDZBQOSA-N 2 0 371.551 0.342 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236337 489372202 /nfs/dbraw/zinc/37/22/02/489372202.db2.gz UNWSJFBDSDQLLH-RBUKOAKNSA-N 2 0 360.502 0.860 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000286382478 489385624 /nfs/dbraw/zinc/38/56/24/489385624.db2.gz CHCRIRRSPVARBG-OAHLLOKOSA-N 2 0 360.502 0.658 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000370682498 489389280 /nfs/dbraw/zinc/38/92/80/489389280.db2.gz OCWKYADUYILZJP-INIZCTEOSA-N 2 0 370.563 0.826 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000362672844 489391693 /nfs/dbraw/zinc/39/16/93/489391693.db2.gz KVRUPUORSAQJDL-QZTJIDSGSA-N 2 0 367.538 0.253 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000362672845 489391862 /nfs/dbraw/zinc/39/18/62/489391862.db2.gz KVRUPUORSAQJDL-ROUUACIJSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000286529324 489401153 /nfs/dbraw/zinc/40/11/53/489401153.db2.gz PSUYLAMAJQLAKU-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000362930411 489405975 /nfs/dbraw/zinc/40/59/75/489405975.db2.gz DOUYMYMMSJAJTJ-IRXDYDNUSA-N 2 0 360.458 0.666 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027457 489440275 /nfs/dbraw/zinc/44/02/75/489440275.db2.gz IKNZDUMNHCLSJA-ROUUACIJSA-N 2 0 367.538 0.376 20 0 FCADRP Cc1nn(C)c(C)c1C(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000299445147 489442539 /nfs/dbraw/zinc/44/25/39/489442539.db2.gz YUDCZNJHVACZLH-UHFFFAOYSA-N 2 0 351.495 0.952 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000563616986 491258239 /nfs/dbraw/zinc/25/82/39/491258239.db2.gz RMRATHBHRSFWFZ-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000563620369 491258909 /nfs/dbraw/zinc/25/89/09/491258909.db2.gz KXFCQGSNDLVEMF-UHFFFAOYSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(CN1[C@@H](CO)CC[C@@H]1CO)Nc1ccc(CN2CCOCC2)cc1 ZINC000287327825 489477876 /nfs/dbraw/zinc/47/78/76/489477876.db2.gz KIRUZEALOVVLPC-QZTJIDSGSA-N 2 0 363.458 0.275 20 0 FCADRP CCS(=O)(=O)NCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371339993 489478174 /nfs/dbraw/zinc/47/81/74/489478174.db2.gz ADDCFFXQIZEMKI-UHFFFAOYSA-N 2 0 360.568 0.806 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423081950 489492218 /nfs/dbraw/zinc/49/22/18/489492218.db2.gz CFKSTRYQQOHWRR-CALCHBBNSA-N 2 0 350.507 0.635 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC[NH2+]CC1 ZINC000423097152 489492468 /nfs/dbraw/zinc/49/24/68/489492468.db2.gz IYMZTWPNWLCXFG-INIZCTEOSA-N 3 0 354.539 0.923 20 0 FCADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187745 489500820 /nfs/dbraw/zinc/50/08/20/489500820.db2.gz PKHUWIUNFGWZLE-KRWDZBQOSA-N 2 0 352.504 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423198972 489501393 /nfs/dbraw/zinc/50/13/93/489501393.db2.gz IWIRHSUHXRXQDM-MRXNPFEDSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000423204118 489502069 /nfs/dbraw/zinc/50/20/69/489502069.db2.gz NQDOCMDKTYNLLK-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423204116 489502384 /nfs/dbraw/zinc/50/23/84/489502384.db2.gz NQDOCMDKTYNLLK-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423209620 489502981 /nfs/dbraw/zinc/50/29/81/489502981.db2.gz VIHSHPWRWZCPKJ-JYJNAYRXSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423219442 489504866 /nfs/dbraw/zinc/50/48/66/489504866.db2.gz WSOXYJGJYDDOFC-CVEARBPZSA-N 2 0 354.495 0.143 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CCCC2)CC1 ZINC000570720496 491260370 /nfs/dbraw/zinc/26/03/70/491260370.db2.gz GBFROUOBHCEUNC-GJZGRUSLSA-N 2 0 368.522 0.768 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415443335 489521928 /nfs/dbraw/zinc/52/19/28/489521928.db2.gz QXOZEECAZAULQD-QGZVFWFLSA-N 2 0 361.490 0.472 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000563640447 491260502 /nfs/dbraw/zinc/26/05/02/491260502.db2.gz RMWXISFHKORIBS-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000415465634 489523227 /nfs/dbraw/zinc/52/32/27/489523227.db2.gz SKDXSHRJYZLZIH-DOMZBBRYSA-N 2 0 366.437 0.900 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000415508810 489525871 /nfs/dbraw/zinc/52/58/71/489525871.db2.gz GEWFASXWOYXPDC-AWEZNQCLSA-N 2 0 361.490 0.786 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415510279 489526340 /nfs/dbraw/zinc/52/63/40/489526340.db2.gz JNDLWUWLENCYHE-ZDUSSCGKSA-N 2 0 350.488 0.885 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415544092 489527726 /nfs/dbraw/zinc/52/77/26/489527726.db2.gz STCIDONZKHCBHC-WBVHZDCISA-N 2 0 373.501 0.568 20 0 FCADRP CC1CN(C[C@H](O)C[NH+](C)C2CC2)CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000451891084 489528915 /nfs/dbraw/zinc/52/89/15/489528915.db2.gz NVKYLJVIWDMTMX-WOJBJXKFSA-N 2 0 368.566 0.150 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)c2)CC1 ZINC000415570400 489531240 /nfs/dbraw/zinc/53/12/40/489531240.db2.gz LYAKKEWKYGKEJG-CVEARBPZSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]1CN(C(=O)NCCCCS(C)(=O)=O)CCN1C1CC[NH+](C)CC1 ZINC000425881209 489539616 /nfs/dbraw/zinc/53/96/16/489539616.db2.gz SQERXNAWVJMDPG-OAHLLOKOSA-N 2 0 374.551 0.621 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415671332 489540690 /nfs/dbraw/zinc/54/06/90/489540690.db2.gz JETIWSZUAHUJLO-CALCHBBNSA-N 2 0 371.485 0.050 20 0 FCADRP c1c(C[NH2+]CCN2CCN(c3ncccn3)CC2)onc1C1CC[NH2+]CC1 ZINC000425892167 489543249 /nfs/dbraw/zinc/54/32/49/489543249.db2.gz AHIDSUSKICPBEW-UHFFFAOYSA-N 2 0 371.489 0.843 20 0 FCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415725091 489546431 /nfs/dbraw/zinc/54/64/31/489546431.db2.gz MBBOVUDZPZZNLR-KRWDZBQOSA-N 2 0 373.501 0.235 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000415816723 489554774 /nfs/dbraw/zinc/55/47/74/489554774.db2.gz OSINKTNNUBAUSC-DOMZBBRYSA-N 2 0 364.421 0.525 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1F ZINC000415823550 489555700 /nfs/dbraw/zinc/55/57/00/489555700.db2.gz QKVDEQZEZJABFY-UHFFFAOYSA-N 2 0 366.437 0.915 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415829195 489556541 /nfs/dbraw/zinc/55/65/41/489556541.db2.gz GRMHKDQODHGLMT-SFHVURJKSA-N 2 0 374.485 0.758 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c2)CC1 ZINC000415832690 489556985 /nfs/dbraw/zinc/55/69/85/489556985.db2.gz HAVUGDHQARCZSB-RHSMWYFYSA-N 2 0 359.474 0.573 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@@H](C)O1 ZINC000426226583 489559726 /nfs/dbraw/zinc/55/97/26/489559726.db2.gz IJILEHBCTOHRBD-HUUCEWRRSA-N 2 0 369.510 0.077 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415861202 489560597 /nfs/dbraw/zinc/56/05/97/489560597.db2.gz IQVFBFIADKSIAS-SFHVURJKSA-N 2 0 374.485 0.758 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957717 489565899 /nfs/dbraw/zinc/56/58/99/489565899.db2.gz UWGQTVHKQKCRJH-HNNXBMFYSA-N 2 0 365.482 0.365 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005281 489567593 /nfs/dbraw/zinc/56/75/93/489567593.db2.gz JMHZBSYIXHFZHN-STQMWFEESA-N 2 0 353.433 0.839 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555670857 491264590 /nfs/dbraw/zinc/26/45/90/491264590.db2.gz SNISCDYHVIGBAB-UHFFFAOYSA-N 3 0 369.554 0.319 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000416433514 489592543 /nfs/dbraw/zinc/59/25/43/489592543.db2.gz PRJYOOWUTSLVBN-KBPBESRZSA-N 2 0 367.519 0.847 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591692 489614720 /nfs/dbraw/zinc/61/47/20/489614720.db2.gz MMTCUUGOVFLXLX-XJKSGUPXSA-N 2 0 374.489 0.687 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591690 489614807 /nfs/dbraw/zinc/61/48/07/489614807.db2.gz MMTCUUGOVFLXLX-CJNGLKHVSA-N 2 0 374.489 0.687 20 0 FCADRP CC[NH+](CC)CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416796663 489629835 /nfs/dbraw/zinc/62/98/35/489629835.db2.gz AYASNIYCORPTBZ-CYBMUJFWSA-N 2 0 353.433 0.854 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810608 489629943 /nfs/dbraw/zinc/62/99/43/489629943.db2.gz QYGVCYUVYXYTQM-DLBZAZTESA-N 2 0 361.490 0.786 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)N(CC[NH3+])CCO)[NH+]1CCCC1 ZINC000416829768 489630694 /nfs/dbraw/zinc/63/06/94/489630694.db2.gz GDJRGRKOJGRLQU-INIZCTEOSA-N 2 0 350.463 0.795 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416831350 489631279 /nfs/dbraw/zinc/63/12/79/489631279.db2.gz BBRGEVSVELNMRQ-MSOLQXFVSA-N 2 0 373.501 0.757 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000416865219 489631919 /nfs/dbraw/zinc/63/19/19/489631919.db2.gz JCIBVJSGKJVPOV-QGZVFWFLSA-N 2 0 356.511 0.883 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@H](C)O1 ZINC000416948873 489635627 /nfs/dbraw/zinc/63/56/27/489635627.db2.gz QEJGFGSGUYEUHR-IXDOHACOSA-N 2 0 368.522 0.883 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030850 489639295 /nfs/dbraw/zinc/63/92/95/489639295.db2.gz PSTIGWITMCEHQI-KBPBESRZSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000417154871 489643844 /nfs/dbraw/zinc/64/38/44/489643844.db2.gz LBUFTJJNZWWDCZ-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417360760 489649714 /nfs/dbraw/zinc/64/97/14/489649714.db2.gz BJODAFCNMFCROT-SJORKVTESA-N 3 0 360.506 0.972 20 0 FCADRP C[C@@H]1[NH2+]CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000417363647 489649768 /nfs/dbraw/zinc/64/97/68/489649768.db2.gz AUPBRSUSPGMPMB-IRXDYDNUSA-N 3 0 360.506 0.986 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C[C@H](C)O1 ZINC000457571604 489650102 /nfs/dbraw/zinc/65/01/02/489650102.db2.gz HZHORSRDPYQJCH-BBWFWOEESA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1[NH3+] ZINC000417383752 489651119 /nfs/dbraw/zinc/65/11/19/489651119.db2.gz KQDZIJUCCNJRPM-SJLPKXTDSA-N 3 0 360.506 0.972 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417428142 489652877 /nfs/dbraw/zinc/65/28/77/489652877.db2.gz KFBUEXNQMOXLCF-HZPDHXFCSA-N 2 0 353.511 0.761 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000417431871 489652893 /nfs/dbraw/zinc/65/28/93/489652893.db2.gz RVVOTXKRLKBIHI-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417434204 489653211 /nfs/dbraw/zinc/65/32/11/489653211.db2.gz WUUXBAXYLXUTNN-BRWVUGGUSA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417433072 489653288 /nfs/dbraw/zinc/65/32/88/489653288.db2.gz UWSUKCIHBPNQGV-HZMVEIRTSA-N 2 0 365.522 0.698 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000417435424 489653373 /nfs/dbraw/zinc/65/33/73/489653373.db2.gz YODFDOJKDHMHHU-OWCLPIDISA-N 2 0 353.511 0.555 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CO)CC(F)F ZINC000428566204 489653670 /nfs/dbraw/zinc/65/36/70/489653670.db2.gz NTOJUGGEFHGGNO-CQSZACIVSA-N 2 0 371.432 0.909 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H](CO)CC(F)F ZINC000428566203 489653958 /nfs/dbraw/zinc/65/39/58/489653958.db2.gz NTOJUGGEFHGGNO-AWEZNQCLSA-N 2 0 371.432 0.909 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448768 489654764 /nfs/dbraw/zinc/65/47/64/489654764.db2.gz WIIQRVDDTAMMFW-OLZOCXBDSA-N 2 0 353.433 0.852 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428606465 489656447 /nfs/dbraw/zinc/65/64/47/489656447.db2.gz XHKNQQCUWBHBDY-INIZCTEOSA-N 2 0 370.563 0.732 20 0 FCADRP CC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417544406 489657330 /nfs/dbraw/zinc/65/73/30/489657330.db2.gz HOUODUFWKJLQSK-QGZVFWFLSA-N 2 0 361.490 0.793 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000428621050 489657503 /nfs/dbraw/zinc/65/75/03/489657503.db2.gz KJPXFZFDDNWUQZ-RYQLBKOJSA-N 2 0 358.486 0.993 20 0 FCADRP COCC[NH2+]CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417534668 489657836 /nfs/dbraw/zinc/65/78/36/489657836.db2.gz ARJIPGSAVLOYOW-UHFFFAOYSA-N 2 0 356.511 0.945 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000417550840 489658114 /nfs/dbraw/zinc/65/81/14/489658114.db2.gz MMTMRQTVZVDOJJ-WCQYABFASA-N 2 0 351.417 0.604 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417559787 489658489 /nfs/dbraw/zinc/65/84/89/489658489.db2.gz IWPODKXGYQPMLN-WKILWMFISA-N 2 0 367.538 0.993 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417674514 489660691 /nfs/dbraw/zinc/66/06/91/489660691.db2.gz ZPWCPLSFQCUAEI-SJORKVTESA-N 2 0 355.527 0.328 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000417710344 489662313 /nfs/dbraw/zinc/66/23/13/489662313.db2.gz PIFCYPHQBKQNHK-GJZGRUSLSA-N 2 0 351.495 0.500 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417807666 489666397 /nfs/dbraw/zinc/66/63/97/489666397.db2.gz DJSGAESWTHFZNP-MRXNPFEDSA-N 2 0 353.511 0.572 20 0 FCADRP C[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000417851343 489668444 /nfs/dbraw/zinc/66/84/44/489668444.db2.gz GDBRPNFIYNMZOR-CVEARBPZSA-N 2 0 367.538 0.816 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417858182 489669149 /nfs/dbraw/zinc/66/91/49/489669149.db2.gz UUVSFUPGXWSOPC-LHHMISFZSA-N 2 0 365.522 0.805 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000428987641 489669631 /nfs/dbraw/zinc/66/96/31/489669631.db2.gz XJSZVBVMEVYXQZ-QGZVFWFLSA-N 2 0 371.485 0.917 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373128098 489671391 /nfs/dbraw/zinc/67/13/91/489671391.db2.gz YIHDHQAEJMPLNA-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000555747197 491270331 /nfs/dbraw/zinc/27/03/31/491270331.db2.gz SJYJHIZACJTFTI-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417974480 489673642 /nfs/dbraw/zinc/67/36/42/489673642.db2.gz WOTWRYONYQHQMC-UHFFFAOYSA-N 2 0 360.506 0.893 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458230710 489674208 /nfs/dbraw/zinc/67/42/08/489674208.db2.gz GTURAQARYGCZDO-KRWDZBQOSA-N 2 0 356.511 0.633 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000418093505 489678721 /nfs/dbraw/zinc/67/87/21/489678721.db2.gz SSUMDMKCERMOSF-QGZVFWFLSA-N 2 0 365.522 0.890 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555758632 491270950 /nfs/dbraw/zinc/27/09/50/491270950.db2.gz RYQBXMNYEXURLQ-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000418182685 489682908 /nfs/dbraw/zinc/68/29/08/489682908.db2.gz OBCNRAGNYGWCNN-DQIHPLBOSA-N 2 0 365.522 0.696 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297137 489689127 /nfs/dbraw/zinc/68/91/27/489689127.db2.gz KMMFYXGINJOMPE-IBGZPJMESA-N 2 0 374.533 0.983 20 0 FCADRP [NH3+]C1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000418294550 489689191 /nfs/dbraw/zinc/68/91/91/489689191.db2.gz HYRBXNMYRLVCGJ-LBPRGKRZSA-N 2 0 351.417 0.783 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418352165 489693219 /nfs/dbraw/zinc/69/32/19/489693219.db2.gz SLKJBCGJFYCUDO-INIZCTEOSA-N 2 0 353.511 0.572 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442207 489697819 /nfs/dbraw/zinc/69/78/19/489697819.db2.gz JGVOMFDSHWPXNY-CVEARBPZSA-N 2 0 369.510 0.078 20 0 FCADRP C[C@@](O)(CNC(=O)NCC[NH2+]C1CCCCCC1)CN1CCOCC1 ZINC000418441879 489698385 /nfs/dbraw/zinc/69/83/85/489698385.db2.gz JCQUAZHSNSQIEJ-GOSISDBHSA-N 2 0 356.511 0.681 20 0 FCADRP C[C@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]C1 ZINC000418559713 489706890 /nfs/dbraw/zinc/70/68/90/489706890.db2.gz YCILVWOGPMBLIC-OCCSQVGLSA-N 2 0 351.417 0.511 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418562247 489707253 /nfs/dbraw/zinc/70/72/53/489707253.db2.gz QTISSHVYWRPKOO-ROUUACIJSA-N 2 0 364.490 0.754 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418570862 489707991 /nfs/dbraw/zinc/70/79/91/489707991.db2.gz RBOPWSXULUOPAN-SKDZVZGDSA-N 2 0 368.428 0.776 20 0 FCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418608127 489709496 /nfs/dbraw/zinc/70/94/96/489709496.db2.gz DGVHHRBXTJOCEJ-QWHCGFSZSA-N 2 0 351.417 0.654 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418605198 489709764 /nfs/dbraw/zinc/70/97/64/489709764.db2.gz AHLHALXVBKLXRV-CQSZACIVSA-N 2 0 365.444 0.806 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611502 489710284 /nfs/dbraw/zinc/71/02/84/489710284.db2.gz HQJCIHWLNMBQKE-UONOGXRCSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000418715157 489719638 /nfs/dbraw/zinc/71/96/38/489719638.db2.gz IGDNGBUVUAZFCI-HZPDHXFCSA-N 2 0 351.495 0.454 20 0 FCADRP O=C(CNC(=O)NCCC[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000418752266 489721948 /nfs/dbraw/zinc/72/19/48/489721948.db2.gz SUJJSXKDKBEKEC-INIZCTEOSA-N 2 0 353.511 0.810 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000418786904 489727741 /nfs/dbraw/zinc/72/77/41/489727741.db2.gz STKQVLUCUFJPNB-KRWDZBQOSA-N 2 0 373.501 0.265 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418801737 489731435 /nfs/dbraw/zinc/73/14/35/489731435.db2.gz JTXTVLUENNQHCO-INIZCTEOSA-N 2 0 366.506 0.254 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418809094 489734042 /nfs/dbraw/zinc/73/40/42/489734042.db2.gz FUWHSBVVFUZYLC-SJORKVTESA-N 2 0 362.474 0.290 20 0 FCADRP CC[N@H+]1C[C@@H](C)N(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485758 489734211 /nfs/dbraw/zinc/73/42/11/489734211.db2.gz UADYTACUYIVBKU-KSZLIROESA-N 2 0 354.539 0.874 20 0 FCADRP C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459539821 489738130 /nfs/dbraw/zinc/73/81/30/489738130.db2.gz QCVFLVQTUVAHGC-NVXWUHKLSA-N 2 0 354.520 0.883 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCC1 ZINC000418829163 489742208 /nfs/dbraw/zinc/74/22/08/489742208.db2.gz GDYOTJRABBMYMQ-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH+]2CCCCC2)cc1 ZINC000418830732 489743373 /nfs/dbraw/zinc/74/33/73/489743373.db2.gz JWDPVWGDEMOYGF-RHSMWYFYSA-N 2 0 362.474 0.802 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000570991088 491278626 /nfs/dbraw/zinc/27/86/26/491278626.db2.gz TXQDWFYYGDVKCC-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000418833360 489745461 /nfs/dbraw/zinc/74/54/61/489745461.db2.gz IHLVSEWEJKWSDT-RDJZCZTQSA-N 2 0 374.485 0.769 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418837898 489747631 /nfs/dbraw/zinc/74/76/31/489747631.db2.gz BKXWGJGBGXSHDW-ZIAGYGMSSA-N 2 0 350.488 0.951 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000418837937 489747844 /nfs/dbraw/zinc/74/78/44/489747844.db2.gz UIURFHQHUWWNKB-AEFFLSMTSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+](C)C)cc1OC ZINC000418838378 489748570 /nfs/dbraw/zinc/74/85/70/489748570.db2.gz VCTIBMXKRNPYNT-CYBMUJFWSA-N 2 0 366.462 0.276 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(OCCC[NH3+])CC2)C1 ZINC000430589008 489749338 /nfs/dbraw/zinc/74/93/38/489749338.db2.gz GSTDGFQQVWQRGB-SFHVURJKSA-N 2 0 370.538 0.289 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418839951 489750187 /nfs/dbraw/zinc/75/01/87/489750187.db2.gz DVYMRVQYZQDUGG-RHSMWYFYSA-N 2 0 362.474 0.530 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000418840898 489751301 /nfs/dbraw/zinc/75/13/01/489751301.db2.gz YKSPYWSETLEFHX-AEFFLSMTSA-N 2 0 374.485 0.898 20 0 FCADRP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430608735 489752166 /nfs/dbraw/zinc/75/21/66/489752166.db2.gz FXAJXEZAJRLEKN-AQFXKWCLSA-N 2 0 350.507 0.825 20 0 FCADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611591 489753579 /nfs/dbraw/zinc/75/35/79/489753579.db2.gz ORIQBFJAIGPHCK-GOEBONIOSA-N 2 0 362.474 0.487 20 0 FCADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618211 489755256 /nfs/dbraw/zinc/75/52/56/489755256.db2.gz RWDRFAAHMNHXAD-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620868 489756001 /nfs/dbraw/zinc/75/60/01/489756001.db2.gz IKIQKWQGZQREMQ-ZBFHGGJFSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630645 489757730 /nfs/dbraw/zinc/75/77/30/489757730.db2.gz RSUITSAAGGAYJT-WMZOPIPTSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626714 489757850 /nfs/dbraw/zinc/75/78/50/489757850.db2.gz MGHZJRWQMNTLPP-KFWWJZLASA-N 2 0 367.494 0.178 20 0 FCADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430632675 489758743 /nfs/dbraw/zinc/75/87/43/489758743.db2.gz ZAOPKQNWAFQKGN-OLZOCXBDSA-N 2 0 368.503 0.570 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856027 489759728 /nfs/dbraw/zinc/75/97/28/489759728.db2.gz WFBXBNWIDKLRGS-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000418858511 489761578 /nfs/dbraw/zinc/76/15/78/489761578.db2.gz JSASKMPSVMPCGS-KSZLIROESA-N 2 0 358.486 0.646 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000418859306 489761690 /nfs/dbraw/zinc/76/16/90/489761690.db2.gz KQFLSUWWOAKITB-KSZLIROESA-N 2 0 358.486 0.864 20 0 FCADRP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643222 489761984 /nfs/dbraw/zinc/76/19/84/489761984.db2.gz QRKFOFQXRPRCEB-GOSISDBHSA-N 2 0 360.502 0.994 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]1 ZINC000418860682 489762170 /nfs/dbraw/zinc/76/21/70/489762170.db2.gz MBDQVAFHBOSFGQ-KBPBESRZSA-N 2 0 350.488 0.822 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430647519 489762372 /nfs/dbraw/zinc/76/23/72/489762372.db2.gz YDDCGLSATCMRJK-AWEZNQCLSA-N 2 0 366.437 0.108 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)[NH+](C)C)c1 ZINC000418861533 489762456 /nfs/dbraw/zinc/76/24/56/489762456.db2.gz NGMPCRSSEMYSIR-UNEWFSDZSA-N 2 0 362.474 0.671 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418861146 489762470 /nfs/dbraw/zinc/76/24/70/489762470.db2.gz MQTJVJYTGRMFEH-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430668629 489763047 /nfs/dbraw/zinc/76/30/47/489763047.db2.gz RPJNHUMLFDKKCH-ZDUSSCGKSA-N 2 0 368.503 0.052 20 0 FCADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651632 489763119 /nfs/dbraw/zinc/76/31/19/489763119.db2.gz WDRJVVMDDFOXHN-QGZVFWFLSA-N 2 0 368.522 0.309 20 0 FCADRP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652015 489763181 /nfs/dbraw/zinc/76/31/81/489763181.db2.gz WQIWMAAWPZSEOL-UKRRQHHQSA-N 2 0 350.438 0.617 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418862774 489763291 /nfs/dbraw/zinc/76/32/91/489763291.db2.gz ONMXOQYDXCLACZ-GOSISDBHSA-N 2 0 356.470 0.976 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418861929 489763637 /nfs/dbraw/zinc/76/36/37/489763637.db2.gz NUYLVBQPISTNIL-SJORKVTESA-N 2 0 362.474 0.154 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418865335 489765161 /nfs/dbraw/zinc/76/51/61/489765161.db2.gz RKLGGUKUUVFWHH-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418870683 489768010 /nfs/dbraw/zinc/76/80/10/489768010.db2.gz YWFWOQJCINZRTN-GOSISDBHSA-N 2 0 370.497 0.979 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418879001 489771200 /nfs/dbraw/zinc/77/12/00/489771200.db2.gz MVLMNFUEPWSAGQ-ZBFHGGJFSA-N 2 0 354.495 0.237 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000418879165 489772146 /nfs/dbraw/zinc/77/21/46/489772146.db2.gz SGQGTSAZGSPAOB-SJLPKXTDSA-N 2 0 374.485 0.817 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418881643 489773591 /nfs/dbraw/zinc/77/35/91/489773591.db2.gz XSXAFXYKDVYDMW-MSOLQXFVSA-N 2 0 360.502 0.781 20 0 FCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418881645 489773719 /nfs/dbraw/zinc/77/37/19/489773719.db2.gz XSXAFXYKDVYDMW-QZTJIDSGSA-N 2 0 360.502 0.781 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418885539 489774044 /nfs/dbraw/zinc/77/40/44/489774044.db2.gz YUXCTOFWAWNYJW-KRWDZBQOSA-N 2 0 374.485 0.080 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000418885541 489775177 /nfs/dbraw/zinc/77/51/77/489775177.db2.gz YUXCTOFWAWNYJW-QGZVFWFLSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C)[NH2+]1 ZINC000430921115 489777685 /nfs/dbraw/zinc/77/76/85/489777685.db2.gz RXMDEUMTZHAKGH-CALCHBBNSA-N 2 0 352.523 0.820 20 0 FCADRP C[C@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430932015 489778549 /nfs/dbraw/zinc/77/85/49/489778549.db2.gz DCPQUYLLAPBQBG-XJKSGUPXSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430950750 489781283 /nfs/dbraw/zinc/78/12/83/489781283.db2.gz SCAFXLWUCHTEIY-NWDGAFQWSA-N 2 0 354.476 0.720 20 0 FCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000431027319 489785799 /nfs/dbraw/zinc/78/57/99/489785799.db2.gz ILNFIPZORDABLU-UHFFFAOYSA-N 2 0 374.551 0.238 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000418933350 489794979 /nfs/dbraw/zinc/79/49/79/489794979.db2.gz ZTNRSLHKACNFRX-HZPDHXFCSA-N 2 0 356.511 0.291 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459922329 489794998 /nfs/dbraw/zinc/79/49/98/489794998.db2.gz YRTZUJAMJOPSTC-UHFFFAOYSA-N 2 0 366.506 0.254 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418934123 489795231 /nfs/dbraw/zinc/79/52/31/489795231.db2.gz BNUDEQGWQIAWAB-BEFAXECRSA-N 2 0 362.474 0.991 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000459925781 489795957 /nfs/dbraw/zinc/79/59/57/489795957.db2.gz UODQIYKNFZGNBF-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1ccco1 ZINC000418942696 489798073 /nfs/dbraw/zinc/79/80/73/489798073.db2.gz LPMIITSCDDRFSL-OAHLLOKOSA-N 2 0 350.463 0.989 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccco1 ZINC000418945567 489799116 /nfs/dbraw/zinc/79/91/16/489799116.db2.gz PXTZFMMRSQEYRA-BZUAXINKSA-N 2 0 362.474 0.847 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000418949061 489801387 /nfs/dbraw/zinc/80/13/87/489801387.db2.gz USASKNUSTSUFIP-LSDHHAIUSA-N 2 0 366.462 0.355 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1F ZINC000418960943 489805400 /nfs/dbraw/zinc/80/54/00/489805400.db2.gz JIJUNBPQWDSILR-GDBMZVCRSA-N 2 0 362.449 0.571 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000460001570 489814952 /nfs/dbraw/zinc/81/49/52/489814952.db2.gz YZUURTCLRYSDEY-IAGOWNOFSA-N 2 0 350.507 0.731 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000419004306 489815115 /nfs/dbraw/zinc/81/51/15/489815115.db2.gz QYCDZCMSDOXJFA-HXUWFJFHSA-N 2 0 358.486 0.837 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000460008855 489817334 /nfs/dbraw/zinc/81/73/34/489817334.db2.gz FPRXVYITGAPVJF-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000563976881 491281217 /nfs/dbraw/zinc/28/12/17/491281217.db2.gz PXRHWNAMEVABTM-QMCVQRASSA-N 2 0 359.474 0.631 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419027233 489823501 /nfs/dbraw/zinc/82/35/01/489823501.db2.gz ODJVJCQPXSAXPK-OWCLPIDISA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH+](C)CC1 ZINC000571030164 491281441 /nfs/dbraw/zinc/28/14/41/491281441.db2.gz AISYGLFPQOVTSS-QGZVFWFLSA-N 2 0 363.510 0.204 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033682 489826598 /nfs/dbraw/zinc/82/65/98/489826598.db2.gz YPKFTTHTHCADDD-OWCLPIDISA-N 2 0 352.523 0.975 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000419040087 489830468 /nfs/dbraw/zinc/83/04/68/489830468.db2.gz LUHFHKAAAMOBEZ-NCOADZHNSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CCC[NH2+]C1 ZINC000419042016 489831362 /nfs/dbraw/zinc/83/13/62/489831362.db2.gz OROLAQLYUNCZRP-LJQANCHMSA-N 2 0 355.442 0.994 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+](C)C3CC3)CC2)CCO1 ZINC000460047560 489831628 /nfs/dbraw/zinc/83/16/28/489831628.db2.gz FWYYVVMRBKQANE-HNNXBMFYSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419043390 489832275 /nfs/dbraw/zinc/83/22/75/489832275.db2.gz JLRCPGKIZMVJDR-OWLYRPNTSA-N 2 0 356.470 0.616 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419045341 489833245 /nfs/dbraw/zinc/83/32/45/489833245.db2.gz NQIJAPDORXYMFU-NJAFHUGGSA-N 2 0 374.485 0.514 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419047678 489834339 /nfs/dbraw/zinc/83/43/39/489834339.db2.gz YOFPOGRUNHHUKN-HZPDHXFCSA-N 2 0 368.522 0.578 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069858 489844377 /nfs/dbraw/zinc/84/43/77/489844377.db2.gz GQSKGAORGYWPJC-CZUORRHYSA-N 2 0 350.463 0.658 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC1 ZINC000460079507 489845745 /nfs/dbraw/zinc/84/57/45/489845745.db2.gz JDVRUALDTKFFSP-UHFFFAOYSA-N 2 0 369.554 0.271 20 0 FCADRP C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077571 489847496 /nfs/dbraw/zinc/84/74/96/489847496.db2.gz RKODJQKNVAVGPL-WMLDXEAASA-N 2 0 360.458 0.083 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551378 489847646 /nfs/dbraw/zinc/84/76/46/489847646.db2.gz DVFYTWLHHGYPQK-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000460081770 489847645 /nfs/dbraw/zinc/84/76/45/489847645.db2.gz YOGXQYFZIFQOTN-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000419083035 489849273 /nfs/dbraw/zinc/84/92/73/489849273.db2.gz JUMVYCNULFXLKQ-KBXIAJHMSA-N 2 0 354.495 0.199 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419107482 489857456 /nfs/dbraw/zinc/85/74/56/489857456.db2.gz KOLGBSGGANBABZ-OAHLLOKOSA-N 2 0 352.454 0.993 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000460277979 489861432 /nfs/dbraw/zinc/86/14/32/489861432.db2.gz UKXIAHHZDYNHFD-BQFCYCMXSA-N 2 0 354.495 0.120 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)CC(C)C ZINC000419119600 489864286 /nfs/dbraw/zinc/86/42/86/489864286.db2.gz BLDXMCIILLMPHS-JKSUJKDBSA-N 2 0 356.511 0.354 20 0 FCADRP COc1ccc(C(=O)NCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433115461 489866964 /nfs/dbraw/zinc/86/69/64/489866964.db2.gz JYNSSVMUJXBHPY-UHFFFAOYSA-N 2 0 362.474 0.745 20 0 FCADRP NC(=O)[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Cc1ccc(F)cc1 ZINC000433139636 489867555 /nfs/dbraw/zinc/86/75/55/489867555.db2.gz BTFRFBMMIDUKDS-OAHLLOKOSA-N 2 0 364.465 0.789 20 0 FCADRP CC(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC000433124486 489867624 /nfs/dbraw/zinc/86/76/24/489867624.db2.gz CUBOIUDGPPJUPY-QGZVFWFLSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@]1(c2cccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)NC(=O)NC1=O ZINC000433129292 489868217 /nfs/dbraw/zinc/86/82/17/489868217.db2.gz NOPBRZMUOKDNCZ-LJQANCHMSA-N 2 0 373.457 0.883 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)CC(C)C ZINC000419125282 489868848 /nfs/dbraw/zinc/86/88/48/489868848.db2.gz JRVHFTFVNOXWMO-IKGGRYGDSA-N 2 0 352.523 0.927 20 0 FCADRP CCN(CC)C(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433158616 489869517 /nfs/dbraw/zinc/86/95/17/489869517.db2.gz BOAYHJYBUMCPPS-UHFFFAOYSA-N 2 0 367.538 0.202 20 0 FCADRP CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433174621 489870857 /nfs/dbraw/zinc/87/08/57/489870857.db2.gz NPIAYIGXKPJQPN-DLBZAZTESA-N 2 0 353.507 0.968 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419982917 489872150 /nfs/dbraw/zinc/87/21/50/489872150.db2.gz UHVURDOMSJJNGX-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420020419 489883379 /nfs/dbraw/zinc/88/33/79/489883379.db2.gz SETDEQNIGSOVMX-IKGGRYGDSA-N 2 0 366.506 0.191 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420027645 489885130 /nfs/dbraw/zinc/88/51/30/489885130.db2.gz DAXKXFSEABFWPP-CABCVRRESA-N 2 0 356.511 0.796 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433467057 489888436 /nfs/dbraw/zinc/88/84/36/489888436.db2.gz PHWPKZLTOREUFO-QZTJIDSGSA-N 2 0 370.538 0.879 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420043632 489891681 /nfs/dbraw/zinc/89/16/81/489891681.db2.gz SBKYOTANZRKLAD-HUUCEWRRSA-N 2 0 354.495 0.550 20 0 FCADRP 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[C@@H]1C ZINC000420047035 489892823 /nfs/dbraw/zinc/89/28/23/489892823.db2.gz VWHQYEQZHBQIIZ-XGUBFFRZSA-N 2 0 354.495 0.547 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420052645 489894635 /nfs/dbraw/zinc/89/46/35/489894635.db2.gz FWFWUGUUQOSOFE-HUUCEWRRSA-N 2 0 368.522 0.796 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420067703 489900946 /nfs/dbraw/zinc/90/09/46/489900946.db2.gz SUNITWAHYTWIPI-ROUUACIJSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420067760 489901261 /nfs/dbraw/zinc/90/12/61/489901261.db2.gz SETDEQNIGSOVMX-ULQDDVLXSA-N 2 0 366.506 0.191 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069807 489902610 /nfs/dbraw/zinc/90/26/10/489902610.db2.gz WBBBYJGVCMBMPF-FGTMMUONSA-N 2 0 356.470 0.430 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069216 489902737 /nfs/dbraw/zinc/90/27/37/489902737.db2.gz VNMMYJPCABRDPI-MSOLQXFVSA-N 2 0 373.501 0.748 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420075460 489904101 /nfs/dbraw/zinc/90/41/01/489904101.db2.gz SMRVJANHNWNPQF-WBVHZDCISA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420088777 489907195 /nfs/dbraw/zinc/90/71/95/489907195.db2.gz INQARNYWRQEJAW-GASCZTMLSA-N 2 0 366.506 0.332 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088156 489907226 /nfs/dbraw/zinc/90/72/26/489907226.db2.gz HIQCOEIMJVDYFZ-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086801 489907254 /nfs/dbraw/zinc/90/72/54/489907254.db2.gz DNCIGQXZMISFIO-QGZVFWFLSA-N 2 0 373.501 0.892 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420089699 489908030 /nfs/dbraw/zinc/90/80/30/489908030.db2.gz FYCMVRGQWOMACQ-BBRMVZONSA-N 2 0 368.428 0.547 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000433992159 489908920 /nfs/dbraw/zinc/90/89/20/489908920.db2.gz YTUAXPHXYYUNOG-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093277 489909348 /nfs/dbraw/zinc/90/93/48/489909348.db2.gz PKKDCGMVDRUVCY-QGZVFWFLSA-N 2 0 373.501 0.892 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000420105784 489913909 /nfs/dbraw/zinc/91/39/09/489913909.db2.gz SVVFHPCNSBGNML-UHFFFAOYSA-N 2 0 356.470 0.993 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420133640 489924354 /nfs/dbraw/zinc/92/43/54/489924354.db2.gz ZESMVUPNYGFNDI-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420133637 489925037 /nfs/dbraw/zinc/92/50/37/489925037.db2.gz ZESMVUPNYGFNDI-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166309 489937383 /nfs/dbraw/zinc/93/73/83/489937383.db2.gz OBKDMPUYMGAJQY-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000477087320 489940524 /nfs/dbraw/zinc/94/05/24/489940524.db2.gz WJHGUKDQGZFHAE-IRXDYDNUSA-N 2 0 369.554 0.221 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477093655 489941323 /nfs/dbraw/zinc/94/13/23/489941323.db2.gz DVHKXGSCHGPFIN-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000420176085 489941409 /nfs/dbraw/zinc/94/14/09/489941409.db2.gz ZCEDGFVRYZZIIQ-KRWDZBQOSA-N 2 0 368.522 0.309 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000477104618 489943609 /nfs/dbraw/zinc/94/36/09/489943609.db2.gz ZXORJULIJOXEBQ-HOTGVXAUSA-N 2 0 356.511 0.306 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000556021850 491289943 /nfs/dbraw/zinc/28/99/43/491289943.db2.gz VVFVLZIBWLGROE-INIZCTEOSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189155 489945839 /nfs/dbraw/zinc/94/58/39/489945839.db2.gz NRQGSNWTDLBYFK-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000420192862 489947255 /nfs/dbraw/zinc/94/72/55/489947255.db2.gz INYGPOCKJLTKHF-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)C1 ZINC000420204048 489950868 /nfs/dbraw/zinc/95/08/68/489950868.db2.gz OJIHJCUERBSNBS-LSDHHAIUSA-N 2 0 364.515 0.678 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420203048 489951108 /nfs/dbraw/zinc/95/11/08/489951108.db2.gz GMRUPKFJLFQILR-HZMVEIRTSA-N 2 0 350.507 0.824 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420203563 489951164 /nfs/dbraw/zinc/95/11/64/489951164.db2.gz QFQCXABUYGTVSP-MSOLQXFVSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420214626 489954821 /nfs/dbraw/zinc/95/48/21/489954821.db2.gz ZPEHUBIWJDFFEH-SJLPKXTDSA-N 2 0 374.485 0.214 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798582 489959480 /nfs/dbraw/zinc/95/94/80/489959480.db2.gz KEBYXIOAWOOVSD-HZPDHXFCSA-N 2 0 362.522 0.795 20 0 FCADRP Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)on2)cn1 ZINC000420289329 489960235 /nfs/dbraw/zinc/96/02/35/489960235.db2.gz IAWMYLKFXRYTPX-AWEZNQCLSA-N 2 0 358.446 0.719 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299639 489961538 /nfs/dbraw/zinc/96/15/38/489961538.db2.gz UEOVNXYDXQIIQU-NEPJUHHUSA-N 2 0 350.385 0.327 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345301 489965684 /nfs/dbraw/zinc/96/56/84/489965684.db2.gz ALOYISKPPJQQCR-RTBURBONSA-N 2 0 359.518 0.385 20 0 FCADRP c1nc(N2CCOCC2)cc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000420359446 489967445 /nfs/dbraw/zinc/96/74/45/489967445.db2.gz KOPVTPYWSPKLIM-UHFFFAOYSA-N 2 0 360.506 0.825 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374206 489968180 /nfs/dbraw/zinc/96/81/80/489968180.db2.gz HCHKWUHRHQGDLX-NOLJZWGESA-N 2 0 356.467 0.065 20 0 FCADRP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420408463 489972838 /nfs/dbraw/zinc/97/28/38/489972838.db2.gz WCHMURRCVGQCSG-OAHLLOKOSA-N 2 0 363.458 0.461 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000420437191 489976324 /nfs/dbraw/zinc/97/63/24/489976324.db2.gz UQUHLBHLZHVRNE-HNNXBMFYSA-N 2 0 357.524 0.954 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420436528 489976370 /nfs/dbraw/zinc/97/63/70/489976370.db2.gz AYPGGOGMWPTSKE-OAHLLOKOSA-N 2 0 357.524 0.872 20 0 FCADRP CSC1(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC[NH+](C)CC1 ZINC000462505854 489978935 /nfs/dbraw/zinc/97/89/35/489978935.db2.gz CWCGKIFYKBEJRH-HUUCEWRRSA-N 2 0 358.552 0.910 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000420453348 489980037 /nfs/dbraw/zinc/98/00/37/489980037.db2.gz JYNIKZODACZIBJ-INIZCTEOSA-N 2 0 374.551 0.497 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000477649371 489981888 /nfs/dbraw/zinc/98/18/88/489981888.db2.gz DHMFGJMBLBVREA-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000477726549 489987712 /nfs/dbraw/zinc/98/77/12/489987712.db2.gz YBXOODNLCGVHNC-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000477726537 489987853 /nfs/dbraw/zinc/98/78/53/489987853.db2.gz YBXOODNLCGVHNC-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](C[NH3+])C1 ZINC000478265233 490013018 /nfs/dbraw/zinc/01/30/18/490013018.db2.gz FVVGRCGYBFOVOS-QFBILLFUSA-N 2 0 360.502 0.815 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000420797389 490023052 /nfs/dbraw/zinc/02/30/52/490023052.db2.gz WHFPHTDHFIKLFW-UHFFFAOYSA-N 2 0 352.504 0.849 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000478794112 490037957 /nfs/dbraw/zinc/03/79/57/490037957.db2.gz HGYZPKYFMUDJLO-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP COc1ccc(N2C(=O)C[C@@H](N3CC[C@@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283896 490039502 /nfs/dbraw/zinc/03/95/02/490039502.db2.gz PMGYKPAJCULSLJ-TZMCWYRMSA-N 2 0 355.398 0.945 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395850 490059057 /nfs/dbraw/zinc/05/90/57/490059057.db2.gz CDHAAGVIEPABTQ-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061418 490065935 /nfs/dbraw/zinc/06/59/35/490065935.db2.gz RTKXLPRNYGUHFZ-ZDUSSCGKSA-N 2 0 354.476 0.642 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057655 490066059 /nfs/dbraw/zinc/06/60/59/490066059.db2.gz HOGDFECTHQADEB-QWHCGFSZSA-N 2 0 354.476 0.722 20 0 FCADRP COC(=O)C1=C(C)O[C@@H](CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482457 490071200 /nfs/dbraw/zinc/07/12/00/490071200.db2.gz MENMHALUHPJRLV-ZBFHGGJFSA-N 2 0 351.447 0.636 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524547 490077998 /nfs/dbraw/zinc/07/79/98/490077998.db2.gz BMCCOYGNTNIJMT-SQNIBIBYSA-N 2 0 365.522 0.129 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000571280978 491297645 /nfs/dbraw/zinc/29/76/45/491297645.db2.gz YKOBBBQFPSLYAF-MRXNPFEDSA-N 2 0 372.473 0.901 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506429929 490090551 /nfs/dbraw/zinc/09/05/51/490090551.db2.gz PQQFSZZRTOXTDE-SFHVURJKSA-N 2 0 372.513 0.754 20 0 FCADRP COCCC(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000532666404 490092662 /nfs/dbraw/zinc/09/26/62/490092662.db2.gz LKXNRLYXEPYBDP-UHFFFAOYSA-N 2 0 371.526 0.149 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000545199460 490097122 /nfs/dbraw/zinc/09/71/22/490097122.db2.gz RLEJETLAXDSLGC-CYBMUJFWSA-N 2 0 354.476 0.417 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000421724448 490100160 /nfs/dbraw/zinc/10/01/60/490100160.db2.gz BSKBLUXVTYCIDJ-PBHICJAKSA-N 2 0 356.536 0.481 20 0 FCADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000479796808 490125261 /nfs/dbraw/zinc/12/52/61/490125261.db2.gz OSBCFQXVKRYKDB-CALCHBBNSA-N 2 0 350.507 0.289 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CSCCN1C(=O)C[NH+](CC)CC ZINC000497081016 490137076 /nfs/dbraw/zinc/13/70/76/490137076.db2.gz QOSWZLKXZWVIBC-OAHLLOKOSA-N 2 0 358.552 0.730 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1CSCCN1C(=O)C[NH+](CC)CC ZINC000497081013 490137972 /nfs/dbraw/zinc/13/79/72/490137972.db2.gz QOSWZLKXZWVIBC-HNNXBMFYSA-N 2 0 358.552 0.730 20 0 FCADRP COC[C@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000390931632 490139685 /nfs/dbraw/zinc/13/96/85/490139685.db2.gz GFMVHAVFOXUHNA-FQEVSTJZSA-N 2 0 360.502 0.547 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480030204 490152160 /nfs/dbraw/zinc/15/21/60/490152160.db2.gz IFSMYNWZHXWBTH-HOTGVXAUSA-N 2 0 364.494 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927919 490152611 /nfs/dbraw/zinc/15/26/11/490152611.db2.gz GEXAJRVJUBBNBW-OAHLLOKOSA-N 2 0 367.494 0.193 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947092 490155182 /nfs/dbraw/zinc/15/51/82/490155182.db2.gz HQQWTCJKDBKBFD-DLBZAZTESA-N 2 0 355.527 0.280 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952286 490156567 /nfs/dbraw/zinc/15/65/67/490156567.db2.gz KAONDLDUBWQGNM-INIZCTEOSA-N 2 0 353.511 0.557 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422107995 490159118 /nfs/dbraw/zinc/15/91/18/490159118.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 2 0 367.538 0.023 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000446801194 490165224 /nfs/dbraw/zinc/16/52/24/490165224.db2.gz IKKKUQJIZHSSPI-LSDHHAIUSA-N 2 0 364.494 0.714 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012270 490166828 /nfs/dbraw/zinc/16/68/28/490166828.db2.gz UDVWRPDELLQQBF-FUHWJXTLSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000520695003 490180276 /nfs/dbraw/zinc/18/02/76/490180276.db2.gz KDHAXYAFLJSWKJ-IMBTUZDBSA-N 2 0 357.539 0.481 20 0 FCADRP CCO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@]12CCCO2 ZINC000546137279 490193858 /nfs/dbraw/zinc/19/38/58/490193858.db2.gz NNZQLCYIFARKKD-LZLYRXPVSA-N 2 0 356.511 0.848 20 0 FCADRP CCO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@]12CCCO2 ZINC000546137280 490194699 /nfs/dbraw/zinc/19/46/99/490194699.db2.gz NNZQLCYIFARKKD-NUJGCVRESA-N 2 0 356.511 0.848 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577750 490196210 /nfs/dbraw/zinc/19/62/10/490196210.db2.gz YXKQFOULKVCNRR-SJLPKXTDSA-N 2 0 367.538 0.158 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000520987707 490211751 /nfs/dbraw/zinc/21/17/51/490211751.db2.gz HDJYDYYMJBHKMH-SJORKVTESA-N 2 0 355.527 0.014 20 0 FCADRP C[C@@H]1CN(C)CCN1C(=O)c1cncc(C(=O)N2CCN(C)C[C@@H]2C)c1 ZINC000521038438 490215847 /nfs/dbraw/zinc/21/58/47/490215847.db2.gz NBGNPQBAQGFIKX-GASCZTMLSA-N 2 0 359.474 0.634 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000571477420 491310536 /nfs/dbraw/zinc/31/05/36/491310536.db2.gz APRUMTXFBQUNRW-INIZCTEOSA-N 2 0 370.563 0.908 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000571477423 491310568 /nfs/dbraw/zinc/31/05/68/491310568.db2.gz APRUMTXFBQUNRW-MRXNPFEDSA-N 2 0 370.563 0.908 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000521339001 490249766 /nfs/dbraw/zinc/24/97/66/490249766.db2.gz DXBWWYGKTIOUHD-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP Cn1ccc(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000546880109 490254465 /nfs/dbraw/zinc/25/44/65/490254465.db2.gz JIXWIXZEFWWBJE-UHFFFAOYSA-N 2 0 371.489 0.869 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H]1C ZINC000521591431 490278525 /nfs/dbraw/zinc/27/85/25/490278525.db2.gz WMCFDJGNHLLYBW-FVPDABNVSA-N 2 0 351.495 0.462 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cn2c(n1)CCCC2 ZINC000521662693 490288282 /nfs/dbraw/zinc/28/82/82/490288282.db2.gz TZQFAEQYRZLFAQ-OAHLLOKOSA-N 2 0 362.478 0.401 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC1CC[NH+](C3CC3)CC1)CC[NH2+]CC2 ZINC000571551694 491315278 /nfs/dbraw/zinc/31/52/78/491315278.db2.gz UGROPQGDMMXZHG-OAHLLOKOSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000447954357 490304946 /nfs/dbraw/zinc/30/49/46/490304946.db2.gz LFXAEDWCCBPJGL-GJZGRUSLSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000448322351 490333848 /nfs/dbraw/zinc/33/38/48/490333848.db2.gz QWLCTJJNQCZHMK-CQSZACIVSA-N 2 0 364.494 0.620 20 0 FCADRP CO[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000522061024 490336727 /nfs/dbraw/zinc/33/67/27/490336727.db2.gz UENKRYWTKKKJCO-DLBZAZTESA-N 2 0 361.490 0.558 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000498852709 490353814 /nfs/dbraw/zinc/35/38/14/490353814.db2.gz VKUZKGOAVAFAPB-SFHVURJKSA-N 2 0 362.518 0.945 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000522265986 490362142 /nfs/dbraw/zinc/36/21/42/490362142.db2.gz MWGAZRDQEGDPLJ-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000498947326 490368994 /nfs/dbraw/zinc/36/89/94/490368994.db2.gz HHDZFQDZVRNZDN-DLBZAZTESA-N 2 0 350.507 0.991 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000498948965 490370347 /nfs/dbraw/zinc/37/03/47/490370347.db2.gz MWDIGIOZZBRZIA-UHFFFAOYSA-N 2 0 366.506 0.324 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000422610524 490427888 /nfs/dbraw/zinc/42/78/88/490427888.db2.gz PXIIHQTURLWCMM-UYSNPLJNSA-N 2 0 353.511 0.888 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411339591 490433895 /nfs/dbraw/zinc/43/38/95/490433895.db2.gz LZVFLAYBKIYRRX-UHFFFAOYSA-N 2 0 354.426 0.725 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000484517162 490436886 /nfs/dbraw/zinc/43/68/86/490436886.db2.gz IFNGWVWPFMQBMO-MRXNPFEDSA-N 2 0 352.548 0.854 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000509705718 490454077 /nfs/dbraw/zinc/45/40/77/490454077.db2.gz HTRVIBOKSQACOR-KRWDZBQOSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422716716 490464479 /nfs/dbraw/zinc/46/44/79/490464479.db2.gz VESBPENEUIWMER-INIZCTEOSA-N 2 0 369.535 0.641 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000571833462 491331991 /nfs/dbraw/zinc/33/19/91/491331991.db2.gz VRWCCRMYKDDNQM-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1=O ZINC000510394958 490513470 /nfs/dbraw/zinc/51/34/70/490513470.db2.gz HXGGSDGJSHEKNS-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422998221 490514451 /nfs/dbraw/zinc/51/44/51/490514451.db2.gz VZGXMLCJBGFPLQ-GOEBONIOSA-N 2 0 355.504 0.907 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423035748 490525774 /nfs/dbraw/zinc/52/57/74/490525774.db2.gz JXTGEHJSGJMSJE-SFHVURJKSA-N 2 0 358.486 0.789 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000485482529 490533496 /nfs/dbraw/zinc/53/34/96/490533496.db2.gz SVAGQBYMDFHTAH-IAGOWNOFSA-N 2 0 366.506 0.081 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423065489 490533513 /nfs/dbraw/zinc/53/35/13/490533513.db2.gz BJDDFNOGLYOUPR-DLBZAZTESA-N 2 0 362.449 0.633 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000423063048 490534072 /nfs/dbraw/zinc/53/40/72/490534072.db2.gz VJPBNVJKMMUEQD-HZPDHXFCSA-N 2 0 366.506 0.143 20 0 FCADRP CN1CCN([C@H](CNC(=O)C[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889555 491334007 /nfs/dbraw/zinc/33/40/07/491334007.db2.gz BAHSAPCBWWWCJA-LSDHHAIUSA-N 2 0 352.504 0.531 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000571875538 491334212 /nfs/dbraw/zinc/33/42/12/491334212.db2.gz RMEBMALGEGFCDD-HUUCEWRRSA-N 2 0 353.463 0.279 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC1 ZINC000500785803 490553633 /nfs/dbraw/zinc/55/36/33/490553633.db2.gz QQXGGXAAQZMZDQ-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000536228624 490562509 /nfs/dbraw/zinc/56/25/09/490562509.db2.gz VXWNXVXERQVBML-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000536227775 490562958 /nfs/dbraw/zinc/56/29/58/490562958.db2.gz QMAFSJYKPZXJQF-GOSISDBHSA-N 2 0 369.554 0.404 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000564913666 491336200 /nfs/dbraw/zinc/33/62/00/491336200.db2.gz RFCZCMHOWFMBDS-HOCLYGCPSA-N 2 0 364.515 0.945 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410158 490592720 /nfs/dbraw/zinc/59/27/20/490592720.db2.gz MYOZHKNERLXMCI-GDBMZVCRSA-N 2 0 351.495 0.523 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564934420 491338257 /nfs/dbraw/zinc/33/82/57/491338257.db2.gz NQFHVADTXSIXHI-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1=O ZINC000549720722 490596377 /nfs/dbraw/zinc/59/63/77/490596377.db2.gz PFTDNCGSHVCOJQ-KRWDZBQOSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C)CC2(C)C)CC1=O ZINC000501341236 490597669 /nfs/dbraw/zinc/59/76/69/490597669.db2.gz OSGZQTUBEWMONP-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589250 490619627 /nfs/dbraw/zinc/61/96/27/490619627.db2.gz ODWZRGRNOLICRE-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486442067 490626165 /nfs/dbraw/zinc/62/61/65/490626165.db2.gz NNXDCUBADISKSU-NCOADZHNSA-N 2 0 350.507 0.443 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486442070 490627067 /nfs/dbraw/zinc/62/70/67/490627067.db2.gz NNXDCUBADISKSU-ZYGGUILKSA-N 2 0 350.507 0.443 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000486461226 490632855 /nfs/dbraw/zinc/63/28/55/490632855.db2.gz ANQVBKUVWVYTKW-IAGOWNOFSA-N 2 0 367.538 0.911 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000486475791 490636399 /nfs/dbraw/zinc/63/63/99/490636399.db2.gz BEQSEQRTOAFOTR-HOTGVXAUSA-N 2 0 353.511 0.555 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCCO1 ZINC000550324578 490660933 /nfs/dbraw/zinc/66/09/33/490660933.db2.gz WPODIKSGMPTWPG-HNNXBMFYSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000501980257 490663060 /nfs/dbraw/zinc/66/30/60/490663060.db2.gz VMBXQCAWYJWTCV-XHQGZTBTSA-N 2 0 368.566 0.316 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000572027071 491343946 /nfs/dbraw/zinc/34/39/46/491343946.db2.gz XCEHQFYMKZAOAF-UEXGIBASSA-N 2 0 370.497 0.884 20 0 FCADRP C[NH+](C)C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000572032347 491344311 /nfs/dbraw/zinc/34/43/11/491344311.db2.gz JZXHIGKOXVQFQU-KRWDZBQOSA-N 2 0 358.486 0.460 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486817832 490673999 /nfs/dbraw/zinc/67/39/99/490673999.db2.gz ICOADIYTCKXIEZ-BJBWBFMVSA-N 2 0 364.534 0.925 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](CC)CC ZINC000565039962 491347559 /nfs/dbraw/zinc/34/75/59/491347559.db2.gz HHPDLBNNCHSSMN-ZACQAIPSSA-N 2 0 365.522 0.854 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557001289 491348478 /nfs/dbraw/zinc/34/84/78/491348478.db2.gz QALDCEFKFBLKKU-CQSZACIVSA-N 2 0 364.515 0.991 20 0 FCADRP NC(=O)NC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000572114503 491348980 /nfs/dbraw/zinc/34/89/80/491348980.db2.gz YLQBUAZMWCGBQR-UHFFFAOYSA-N 2 0 361.446 0.059 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)CC1=O ZINC000487499873 490715284 /nfs/dbraw/zinc/71/52/84/490715284.db2.gz MQXDUMPZZRGXOL-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCCn1c(N)c(C(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(=O)[nH]c1=O ZINC000572112791 491349224 /nfs/dbraw/zinc/34/92/24/491349224.db2.gz BJVQOZPLAGZZHF-GFCCVEGCSA-N 2 0 363.462 0.588 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000502795966 490721780 /nfs/dbraw/zinc/72/17/80/490721780.db2.gz NAOMEEQSVVCDQL-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP COc1c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1C(N)=O ZINC000527381614 490722445 /nfs/dbraw/zinc/72/24/45/490722445.db2.gz LOVITNHJPZFOCA-UHFFFAOYSA-N 2 0 351.451 0.751 20 0 FCADRP C[C@H](CNC(=O)COCC(=O)NC[C@@H](C)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000538274096 490724083 /nfs/dbraw/zinc/72/40/83/490724083.db2.gz GPFAIQCLLDUSPM-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCOCC1 ZINC000487694737 490725598 /nfs/dbraw/zinc/72/55/98/490725598.db2.gz FFRAUWQQXKMBSF-SJORKVTESA-N 2 0 368.522 0.774 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513492860 490734838 /nfs/dbraw/zinc/73/48/38/490734838.db2.gz OWVXXWJNUBRKFV-XHSDSOJGSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513492857 490734968 /nfs/dbraw/zinc/73/49/68/490734968.db2.gz OWVXXWJNUBRKFV-BZUAXINKSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513492859 490734975 /nfs/dbraw/zinc/73/49/75/490734975.db2.gz OWVXXWJNUBRKFV-OWCLPIDISA-N 2 0 370.538 0.694 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000527768826 490758579 /nfs/dbraw/zinc/75/85/79/490758579.db2.gz SVHDQQGQLVLNQT-INIZCTEOSA-N 2 0 354.495 0.603 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122226 491354418 /nfs/dbraw/zinc/35/44/18/491354418.db2.gz QHTCZRRSNWNZEH-XHSDSOJGSA-N 2 0 350.507 0.964 20 0 FCADRP COC(=O)CCN1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320955 490776401 /nfs/dbraw/zinc/77/64/01/490776401.db2.gz XCMXTTJPYVUTOM-MWDXBVQZSA-N 2 0 357.495 0.026 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000514669139 490779554 /nfs/dbraw/zinc/77/95/54/490779554.db2.gz UIOCMJSJFBIPJN-BBWFWOEESA-N 2 0 365.522 0.997 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000514855175 490793072 /nfs/dbraw/zinc/79/30/72/490793072.db2.gz OKKBNLDPMZYCTL-JKSUJKDBSA-N 2 0 350.438 0.489 20 0 FCADRP CC1(C)c2cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc2NC1=O ZINC000515048246 490805365 /nfs/dbraw/zinc/80/53/65/490805365.db2.gz FFCZWCRQFPTUGW-UHFFFAOYSA-N 2 0 354.476 0.605 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000565168092 491357602 /nfs/dbraw/zinc/35/76/02/491357602.db2.gz BJXKHXFMKHKROB-MRXNPFEDSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000557193264 491358684 /nfs/dbraw/zinc/35/86/84/491358684.db2.gz BSIRUJLNSLHHHR-MRXNPFEDSA-N 2 0 373.501 0.943 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000557190387 491358693 /nfs/dbraw/zinc/35/86/93/491358693.db2.gz MQNKAQZRLFAJRN-NVXWUHKLSA-N 2 0 370.419 0.870 20 0 FCADRP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1S(C)(=O)=O ZINC000515833757 490840174 /nfs/dbraw/zinc/84/01/74/490840174.db2.gz RFDHVYBFZIFDGF-MRXNPFEDSA-N 2 0 355.504 0.096 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838364 490841919 /nfs/dbraw/zinc/84/19/19/490841919.db2.gz KGQUOHFKTOUCNG-HNNXBMFYSA-N 2 0 352.479 0.400 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000516175626 490854710 /nfs/dbraw/zinc/85/47/10/490854710.db2.gz QPVRNZGWLINEMM-VBQJREDUSA-N 2 0 353.438 0.615 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000529338348 490854708 /nfs/dbraw/zinc/85/47/08/490854708.db2.gz KZMDFSUSNIXOQY-STQMWFEESA-N 2 0 351.417 0.462 20 0 FCADRP CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000516541335 490867081 /nfs/dbraw/zinc/86/70/81/490867081.db2.gz CMIZRPBCLDZZSY-INIZCTEOSA-N 2 0 350.463 0.627 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000516591854 490869613 /nfs/dbraw/zinc/86/96/13/490869613.db2.gz BLRBMMXFHONBHK-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760114 490876633 /nfs/dbraw/zinc/87/66/33/490876633.db2.gz WAAMYEIKWWKMAJ-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)cn2)CC1 ZINC000516766395 490877335 /nfs/dbraw/zinc/87/73/35/490877335.db2.gz TXHLSMAIVUNYKH-HNNXBMFYSA-N 2 0 370.461 0.429 20 0 FCADRP CCCNC(=O)CN(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000572261738 491359233 /nfs/dbraw/zinc/35/92/33/491359233.db2.gz DSBSBWHBCUALNK-SJPCQFCGSA-N 2 0 368.522 0.545 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000516966750 490887899 /nfs/dbraw/zinc/88/78/99/490887899.db2.gz CAEAVZOCIKBNAQ-OAHLLOKOSA-N 2 0 350.467 0.261 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557206247 491359783 /nfs/dbraw/zinc/35/97/83/491359783.db2.gz QQDDWKZWVFMSPH-IAGOWNOFSA-N 2 0 373.501 0.723 20 0 FCADRP O=C1NC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1=O ZINC000517016033 490891005 /nfs/dbraw/zinc/89/10/05/490891005.db2.gz QUUOOVBNLNKUGI-GOSISDBHSA-N 2 0 356.470 0.815 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243395 490895213 /nfs/dbraw/zinc/89/52/13/490895213.db2.gz XSUBYMOWFIUEMG-SJLPKXTDSA-N 2 0 352.523 0.630 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241529 490895336 /nfs/dbraw/zinc/89/53/36/490895336.db2.gz QNZSUOZJPONMNJ-YJBOKZPZSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000517225271 490899925 /nfs/dbraw/zinc/89/99/25/490899925.db2.gz SJJONWMQXXCMII-JKSUJKDBSA-N 2 0 351.495 0.230 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000542607726 490902066 /nfs/dbraw/zinc/90/20/66/490902066.db2.gz MAGFZMREMVKLIA-ZWKOTPCHSA-N 2 0 353.555 0.497 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000517562160 490911928 /nfs/dbraw/zinc/91/19/28/490911928.db2.gz MRLITXDKRLAZCT-SFHVURJKSA-N 2 0 358.486 0.979 20 0 FCADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530679683 490919141 /nfs/dbraw/zinc/91/91/41/490919141.db2.gz YEVJJIIQHQDLND-TZIWHRDSSA-N 2 0 373.497 0.804 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000517918514 490924376 /nfs/dbraw/zinc/92/43/76/490924376.db2.gz VBJDCIXAHGSBFE-WBVHZDCISA-N 2 0 350.507 0.907 20 0 FCADRP [NH3+][C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000517931075 490924747 /nfs/dbraw/zinc/92/47/47/490924747.db2.gz WAZBSBFDBWJSST-SFHVURJKSA-N 2 0 358.486 0.713 20 0 FCADRP COCC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530809468 490925925 /nfs/dbraw/zinc/92/59/25/490925925.db2.gz CFYKKUSDBGDPTF-FQEVSTJZSA-N 2 0 361.486 0.850 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CCN2C1=O ZINC000565251444 491365474 /nfs/dbraw/zinc/36/54/74/491365474.db2.gz SDXVFJMYOMJJDW-ZNMIVQPWSA-N 2 0 361.446 0.370 20 0 FCADRP CN(CCc1nccs1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518716490 490948901 /nfs/dbraw/zinc/94/89/01/490948901.db2.gz HBCSLVSXWGZMOK-UHFFFAOYSA-N 2 0 355.508 0.096 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000531357731 490953357 /nfs/dbraw/zinc/95/33/57/490953357.db2.gz BBPIAMCLZIBIIY-UHFFFAOYSA-N 2 0 367.494 0.193 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000531484057 490960413 /nfs/dbraw/zinc/96/04/13/490960413.db2.gz ZCUHRDGRAOWGIN-GDBMZVCRSA-N 2 0 365.522 0.854 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000519352167 490969692 /nfs/dbraw/zinc/96/96/92/490969692.db2.gz UOKPHDVLQKNZOV-MRXNPFEDSA-N 2 0 351.495 0.500 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000531770665 490973323 /nfs/dbraw/zinc/97/33/23/490973323.db2.gz KGUCCXAVGUJWBB-MSOLQXFVSA-N 3 0 369.554 0.499 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000519533045 490974219 /nfs/dbraw/zinc/97/42/19/490974219.db2.gz YRWVEAOAMPPERE-KGLIPLIRSA-N 2 0 365.444 0.948 20 0 FCADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000519690220 490984149 /nfs/dbraw/zinc/98/41/49/490984149.db2.gz AVUADEVVECMXKM-YLFCFFPRSA-N 2 0 354.495 0.778 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519692195 490984211 /nfs/dbraw/zinc/98/42/11/490984211.db2.gz VLDSHSFDOYUGJM-CABCVRRESA-N 2 0 366.531 0.285 20 0 FCADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000519690198 490984309 /nfs/dbraw/zinc/98/43/09/490984309.db2.gz AVUADEVVECMXKM-HZMVEIRTSA-N 2 0 354.495 0.778 20 0 FCADRP CN(C(=O)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCCC1 ZINC000532056690 490984502 /nfs/dbraw/zinc/98/45/02/490984502.db2.gz QGFDTLZVHRVQTN-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000553956622 491166337 /nfs/dbraw/zinc/16/63/37/491166337.db2.gz KLFQDZXNIRPZKB-CABCVRRESA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000660234502 493335548 /nfs/dbraw/zinc/33/55/48/493335548.db2.gz QURNALUNWSDNHA-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)OC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000562692416 491181897 /nfs/dbraw/zinc/18/18/97/491181897.db2.gz AHAIVPFBECWXHJ-UHFFFAOYSA-N 2 0 356.511 0.354 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000562773119 491188430 /nfs/dbraw/zinc/18/84/30/491188430.db2.gz HZXZAFLXQGXVDZ-INIZCTEOSA-N 2 0 356.511 0.306 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000557381369 491371640 /nfs/dbraw/zinc/37/16/40/491371640.db2.gz OTSYMPBVYKBRNW-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000557487554 491377435 /nfs/dbraw/zinc/37/74/35/491377435.db2.gz ABIFRTYUPVVBPT-OAHLLOKOSA-N 2 0 370.538 0.696 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000557501890 491379145 /nfs/dbraw/zinc/37/91/45/491379145.db2.gz VPCHSWCLOCCQIX-ZBFHGGJFSA-N 2 0 354.495 0.202 20 0 FCADRP COc1ccc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000572621693 491382692 /nfs/dbraw/zinc/38/26/92/491382692.db2.gz LTADUGLAJWCXBO-HNNXBMFYSA-N 2 0 364.490 0.824 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000557561600 491382828 /nfs/dbraw/zinc/38/28/28/491382828.db2.gz OHMDCVSBUPEYAC-LSDHHAIUSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000557572018 491384059 /nfs/dbraw/zinc/38/40/59/491384059.db2.gz KGEVFLHMUAKFGR-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1=CC[N@H+](C)CC1 ZINC000572667407 491385461 /nfs/dbraw/zinc/38/54/61/491385461.db2.gz WVMVIYDYOFIUBM-DYVFJYSZSA-N 2 0 354.520 0.307 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC000673514468 493338912 /nfs/dbraw/zinc/33/89/12/493338912.db2.gz GZXSEUYZSHDOSO-VQTJNVASSA-N 2 0 372.513 0.715 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000572726119 491389233 /nfs/dbraw/zinc/38/92/33/491389233.db2.gz KJTJYHIFKVHXAJ-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000557679289 491390809 /nfs/dbraw/zinc/39/08/09/491390809.db2.gz GIAOLTIUVXOAJK-KRWDZBQOSA-N 2 0 354.564 0.958 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000565655673 491391426 /nfs/dbraw/zinc/39/14/26/491391426.db2.gz VYGORHQPBQUWTK-CVEARBPZSA-N 2 0 363.506 0.710 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000565764743 491398232 /nfs/dbraw/zinc/39/82/32/491398232.db2.gz PUBCLEJQKZMIER-KRWDZBQOSA-N 2 0 361.490 0.801 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000565773423 491398498 /nfs/dbraw/zinc/39/84/98/491398498.db2.gz YERISRRGLPWMSD-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000573022995 491408086 /nfs/dbraw/zinc/40/80/86/491408086.db2.gz MOMSEZDDIMRNMM-MSOLQXFVSA-N 2 0 373.501 0.982 20 0 FCADRP CCOC(=O)c1ccc(N2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)nc1 ZINC000566010338 491412289 /nfs/dbraw/zinc/41/22/89/491412289.db2.gz LOQINTTVMSLLML-UHFFFAOYSA-N 2 0 361.490 0.676 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573202217 491418989 /nfs/dbraw/zinc/41/89/89/491418989.db2.gz QPDPZIXNKQRXOB-MSOLQXFVSA-N 2 0 358.486 0.932 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000558210477 491419964 /nfs/dbraw/zinc/41/99/64/491419964.db2.gz TUTVDLWOYNRMAL-YESZJQIVSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000566165959 491422154 /nfs/dbraw/zinc/42/21/54/491422154.db2.gz DAPDCTSPYQGZAJ-MSOLQXFVSA-N 2 0 360.502 0.924 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000573379360 491430066 /nfs/dbraw/zinc/43/00/66/491430066.db2.gz DRPYRMKSHHTMNM-UHFFFAOYSA-N 2 0 354.476 0.723 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000573429826 491432682 /nfs/dbraw/zinc/43/26/82/491432682.db2.gz GQYRYCKYONOZSU-RHJCGQNESA-N 2 0 350.507 0.665 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000566289281 491433150 /nfs/dbraw/zinc/43/31/50/491433150.db2.gz SVHPWRAQAOXRRL-IBGZPJMESA-N 2 0 370.501 0.213 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@@H](C)O1 ZINC000558548951 491435470 /nfs/dbraw/zinc/43/54/70/491435470.db2.gz FPAYMZMXIPSMQW-IAGOWNOFSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(CCCC[NH3+])nn3)cn2)CC1 ZINC000573560480 491440646 /nfs/dbraw/zinc/44/06/46/491440646.db2.gz IVSXNMSFLGHVDE-UHFFFAOYSA-N 2 0 358.450 0.416 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000573831445 491457968 /nfs/dbraw/zinc/45/79/68/491457968.db2.gz IBNGFQSAKZAKCH-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000566732525 491463261 /nfs/dbraw/zinc/46/32/61/491463261.db2.gz ATBXAVQLZLQCJG-SJORKVTESA-N 2 0 365.474 0.438 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000566748209 491464764 /nfs/dbraw/zinc/46/47/64/491464764.db2.gz IBDKHHCULAEQEW-UHFFFAOYSA-N 2 0 362.474 0.585 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000559363410 491467429 /nfs/dbraw/zinc/46/74/29/491467429.db2.gz KGGRSAVGCHYYKD-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3conc3C(C)(C)[NH3+])ccn2)CC1 ZINC000566805267 491468378 /nfs/dbraw/zinc/46/83/78/491468378.db2.gz FXTWMXWMWVBKRD-UHFFFAOYSA-N 2 0 358.446 0.945 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)nc2)CC1 ZINC000574036326 491470557 /nfs/dbraw/zinc/47/05/57/491470557.db2.gz LSTABGVVGSZOND-CQSZACIVSA-N 2 0 370.461 0.429 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000559440178 491473239 /nfs/dbraw/zinc/47/32/39/491473239.db2.gz OJYHUAOGZRAGEQ-KRWDZBQOSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000574107558 491474859 /nfs/dbraw/zinc/47/48/59/491474859.db2.gz IPLROLIJSKMEGC-OAHLLOKOSA-N 2 0 366.506 0.035 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000559462164 491475529 /nfs/dbraw/zinc/47/55/29/491475529.db2.gz LXYCBRRVBQOSIC-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567062555 491483681 /nfs/dbraw/zinc/48/36/81/491483681.db2.gz ANNWHVVVOIUAOY-MSOLQXFVSA-N 2 0 373.501 0.980 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000567194296 491491842 /nfs/dbraw/zinc/49/18/42/491491842.db2.gz RQKKACOBIYYQEQ-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000559748169 491495642 /nfs/dbraw/zinc/49/56/42/491495642.db2.gz OYOTUAXEMSUFQM-LTCOOKNTSA-N 2 0 358.486 0.915 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000567345765 491500651 /nfs/dbraw/zinc/50/06/51/491500651.db2.gz SXLBNYLPKPLDHO-INIZCTEOSA-N 2 0 374.485 0.259 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000559834677 491503663 /nfs/dbraw/zinc/50/36/63/491503663.db2.gz WMJOVSKXVCIVBR-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868397 491506624 /nfs/dbraw/zinc/50/66/24/491506624.db2.gz QJRSTIJWRRUCQW-QGZVFWFLSA-N 2 0 356.536 0.483 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560024461 491516249 /nfs/dbraw/zinc/51/62/49/491516249.db2.gz LNUIIMQGYITMHB-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCC(C)CC1 ZINC000560027503 491516802 /nfs/dbraw/zinc/51/68/02/491516802.db2.gz HLSVQNJPDSFNIF-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583403 493348507 /nfs/dbraw/zinc/34/85/07/493348507.db2.gz LDVDVPTZSDSFGR-IAGOWNOFSA-N 2 0 368.522 0.329 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000560300859 491529759 /nfs/dbraw/zinc/52/97/59/491529759.db2.gz VKKZYUGBWLPWNE-SJLPKXTDSA-N 2 0 360.502 0.828 20 0 FCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000567822298 491532090 /nfs/dbraw/zinc/53/20/90/491532090.db2.gz IPRQEJZOUBSEDV-UHFFFAOYSA-N 2 0 357.462 0.802 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000567928242 491542176 /nfs/dbraw/zinc/54/21/76/491542176.db2.gz JLACXLJWSDZFPR-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1-c1ccccc1 ZINC000560635830 491548196 /nfs/dbraw/zinc/54/81/96/491548196.db2.gz PWGSFZGUECHTJV-ROUUACIJSA-N 2 0 371.485 0.859 20 0 FCADRP Cc1ncc2n1C[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CC2 ZINC000568038670 491549575 /nfs/dbraw/zinc/54/95/75/491549575.db2.gz IBLGUIKOXBSCQK-XYTVBORESA-N 2 0 373.501 0.954 20 0 FCADRP CSC1(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000575378605 491551843 /nfs/dbraw/zinc/55/18/43/491551843.db2.gz ZFTURHSYYSCSAO-OAHLLOKOSA-N 2 0 357.568 0.749 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000560733966 491554109 /nfs/dbraw/zinc/55/41/09/491554109.db2.gz AJURHSGYDWSLNE-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCCO1 ZINC000575860008 491565979 /nfs/dbraw/zinc/56/59/79/491565979.db2.gz CMYAPJUPNXTBEU-MRXNPFEDSA-N 2 0 352.479 0.040 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+](C)C)cc1OC ZINC000568292270 491567282 /nfs/dbraw/zinc/56/72/82/491567282.db2.gz IOQPFURNGILYFD-CQSZACIVSA-N 2 0 366.462 0.230 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000575902762 491569071 /nfs/dbraw/zinc/56/90/71/491569071.db2.gz XNFOGCLDJMDKDJ-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP Cc1c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cccc1S(=O)(=O)N(C)C ZINC000561034472 491571435 /nfs/dbraw/zinc/57/14/35/491571435.db2.gz HTUVGOGMLMHTQQ-ZDUSSCGKSA-N 2 0 369.491 0.352 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000568373625 491572376 /nfs/dbraw/zinc/57/23/76/491572376.db2.gz PTEYFIGJBJIKJW-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000561122412 491576659 /nfs/dbraw/zinc/57/66/59/491576659.db2.gz BGJOVIGDYHWRFY-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000577035472 491582831 /nfs/dbraw/zinc/58/28/31/491582831.db2.gz KJWHIUVODBLBLJ-MRXNPFEDSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000568565943 491586855 /nfs/dbraw/zinc/58/68/55/491586855.db2.gz ZQJHLPKGMIYYME-NVXWUHKLSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000577112554 491591388 /nfs/dbraw/zinc/59/13/88/491591388.db2.gz XZOHJVPFOXYQAP-QAETUUGQSA-N 2 0 367.538 0.245 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000568608989 491591603 /nfs/dbraw/zinc/59/16/03/491591603.db2.gz RAQMIIRAPUOWNW-GDBMZVCRSA-N 2 0 351.495 0.500 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000568628540 491593921 /nfs/dbraw/zinc/59/39/21/491593921.db2.gz ULFGYZFDVSQNGB-CHWSQXEVSA-N 2 0 363.462 0.757 20 0 FCADRP CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000584495346 491597785 /nfs/dbraw/zinc/59/77/85/491597785.db2.gz COJOTSFWHJJWNB-HZPDHXFCSA-N 2 0 370.538 0.647 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000576545854 491624211 /nfs/dbraw/zinc/62/42/11/491624211.db2.gz BMRBRVPOTUAMLA-SJORKVTESA-N 2 0 368.522 0.281 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000568985141 491624357 /nfs/dbraw/zinc/62/43/57/491624357.db2.gz AUBYZFADSAAIQM-HNNXBMFYSA-N 2 0 368.503 0.054 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000568984867 491624395 /nfs/dbraw/zinc/62/43/95/491624395.db2.gz XJPVXSZNZTYNGX-CVEARBPZSA-N 2 0 367.538 0.245 20 0 FCADRP CC(C)n1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000569018024 491627731 /nfs/dbraw/zinc/62/77/31/491627731.db2.gz AXIGEKAHKQYUGQ-UHFFFAOYSA-N 2 0 352.483 0.032 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576611849 491629788 /nfs/dbraw/zinc/62/97/88/491629788.db2.gz DRTZVAYBKKNGBJ-UHFFFAOYSA-N 2 0 367.538 0.962 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000569049136 491630019 /nfs/dbraw/zinc/63/00/19/491630019.db2.gz YDXYKDCLFMDDNT-SJORKVTESA-N 2 0 366.506 0.081 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000577540767 491631576 /nfs/dbraw/zinc/63/15/76/491631576.db2.gz NZBBQDVEHJUOBO-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000577608643 491635589 /nfs/dbraw/zinc/63/55/89/491635589.db2.gz QHVZNVNEMATGMY-UONOGXRCSA-N 2 0 367.519 0.006 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000569121096 491635684 /nfs/dbraw/zinc/63/56/84/491635684.db2.gz BWKDTRCMSQKNKL-SQNIBIBYSA-N 2 0 367.453 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@@]1(C)C[NH3+] ZINC000576688802 491635849 /nfs/dbraw/zinc/63/58/49/491635849.db2.gz FKSRWJCJTJZLBB-PASDCYSWSA-N 2 0 365.522 0.603 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000577608642 491635894 /nfs/dbraw/zinc/63/58/94/491635894.db2.gz QHVZNVNEMATGMY-KGLIPLIRSA-N 2 0 367.519 0.006 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1[NH2+]CCc2ccccc21 ZINC000576730262 491640610 /nfs/dbraw/zinc/64/06/10/491640610.db2.gz OJQNJRUVOFVGQJ-GJZGRUSLSA-N 2 0 356.392 0.826 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000577740742 491648117 /nfs/dbraw/zinc/64/81/17/491648117.db2.gz QIOZZMDEGFMDRB-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP CN1C[C@@H]([NH+](C)CCOCC[N@@H+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886625 491654596 /nfs/dbraw/zinc/65/45/96/491654596.db2.gz ZLSHKHGDALONDQ-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000576901634 491655294 /nfs/dbraw/zinc/65/52/94/491655294.db2.gz ZUMMMIPVPIAUBG-INIZCTEOSA-N 2 0 356.511 0.404 20 0 FCADRP CCn1cc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000660516598 493358893 /nfs/dbraw/zinc/35/88/93/493358893.db2.gz UYPIFKWOQZBHQU-UHFFFAOYSA-N 2 0 372.477 0.705 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000577870878 491659218 /nfs/dbraw/zinc/65/92/18/491659218.db2.gz VLDHMPNIDGJKKE-HOTGVXAUSA-N 2 0 368.522 0.627 20 0 FCADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000569456234 491662580 /nfs/dbraw/zinc/66/25/80/491662580.db2.gz WPJBPJFPGYFDDX-JYJNAYRXSA-N 2 0 353.442 0.169 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569472137 491664679 /nfs/dbraw/zinc/66/46/79/491664679.db2.gz GNSUTALWUFPLPN-MSOLQXFVSA-N 2 0 358.486 0.630 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000577999461 491667192 /nfs/dbraw/zinc/66/71/92/491667192.db2.gz BKFSQSWGPHTBIC-LSDHHAIUSA-N 2 0 352.866 0.927 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)n1 ZINC000578081454 491669533 /nfs/dbraw/zinc/66/95/33/491669533.db2.gz VRBWCERSOMKZNQ-UHFFFAOYSA-N 2 0 358.446 0.858 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000578122449 491670426 /nfs/dbraw/zinc/67/04/26/491670426.db2.gz NGNHVQLHYICYLD-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578134759 491670760 /nfs/dbraw/zinc/67/07/60/491670760.db2.gz CKKUPVABXDRIQB-WMZOPIPTSA-N 2 0 372.517 0.835 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000578156898 491670985 /nfs/dbraw/zinc/67/09/85/491670985.db2.gz GKWYQRRLEPBHKG-BZUAXINKSA-N 2 0 368.522 0.258 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000578340910 491675187 /nfs/dbraw/zinc/67/51/87/491675187.db2.gz NBQHIVNKHYYAEG-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000578503973 491678497 /nfs/dbraw/zinc/67/84/97/491678497.db2.gz TWOQPZQGOCJQDV-LJQANCHMSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000579018009 491689304 /nfs/dbraw/zinc/68/93/04/491689304.db2.gz MLUZUOHOQHZUOP-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579124385 491691559 /nfs/dbraw/zinc/69/15/59/491691559.db2.gz JOIUTGDDLULXSI-SFHVURJKSA-N 2 0 358.486 0.741 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000579225616 491693379 /nfs/dbraw/zinc/69/33/79/491693379.db2.gz WAGOAGZPMVTNHC-RBUKOAKNSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000579226343 491693444 /nfs/dbraw/zinc/69/34/44/491693444.db2.gz FSBXPFHEPWVJDH-GOSISDBHSA-N 2 0 374.485 0.128 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000579257674 491694275 /nfs/dbraw/zinc/69/42/75/491694275.db2.gz GYNPDJDOMORWFJ-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000579260373 491694321 /nfs/dbraw/zinc/69/43/21/491694321.db2.gz RDUADCNEFIUJNT-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000579333770 491695502 /nfs/dbraw/zinc/69/55/02/491695502.db2.gz BSSHJXYMIUZTJG-UHFFFAOYSA-N 2 0 368.547 0.676 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000579467482 491698359 /nfs/dbraw/zinc/69/83/59/491698359.db2.gz HSTVNRWKTSSNOA-KRWDZBQOSA-N 2 0 362.474 0.514 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000580006181 491713344 /nfs/dbraw/zinc/71/33/44/491713344.db2.gz OOODIOQGGBMAOA-HOTGVXAUSA-N 2 0 350.507 0.991 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584828825 491716133 /nfs/dbraw/zinc/71/61/33/491716133.db2.gz CZOZIQVEKMNUQJ-KBPBESRZSA-N 2 0 363.428 0.702 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000580541698 491735366 /nfs/dbraw/zinc/73/53/66/491735366.db2.gz UKLRVOYFSNEGDE-CALCHBBNSA-N 2 0 356.470 0.527 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000580559753 491736145 /nfs/dbraw/zinc/73/61/45/491736145.db2.gz YAROOHFLQAWYDF-KRWDZBQOSA-N 2 0 362.474 0.502 20 0 FCADRP CO[C@@H]1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000580565144 491736383 /nfs/dbraw/zinc/73/63/83/491736383.db2.gz WLQRZZOHDJKLGP-GDBMZVCRSA-N 2 0 371.503 0.754 20 0 FCADRP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000580648174 491740375 /nfs/dbraw/zinc/74/03/75/491740375.db2.gz DFRIWNBTHCMHHP-ZWKOTPCHSA-N 2 0 364.534 0.822 20 0 FCADRP CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]2C1 ZINC000580925981 491751856 /nfs/dbraw/zinc/75/18/56/491751856.db2.gz RIPHLDYCPWDBNG-KSZLIROESA-N 2 0 367.538 0.768 20 0 FCADRP COC[C@]1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]C1 ZINC000580949339 491752868 /nfs/dbraw/zinc/75/28/68/491752868.db2.gz LTHUDENPDJDEOC-SFHVURJKSA-N 2 0 362.430 0.721 20 0 FCADRP CS(=O)(=O)NCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000581130127 491760547 /nfs/dbraw/zinc/76/05/47/491760547.db2.gz HXLYWYJXJCNLQC-UHFFFAOYSA-N 2 0 368.503 0.035 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccco1 ZINC000581181294 491762470 /nfs/dbraw/zinc/76/24/70/491762470.db2.gz KULRXRUIEREEBE-OAHLLOKOSA-N 2 0 350.463 0.895 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000581245152 491765360 /nfs/dbraw/zinc/76/53/60/491765360.db2.gz AYKSDAWIHFYXLD-OQIJWPOYSA-N 2 0 370.497 0.773 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000581516425 491775984 /nfs/dbraw/zinc/77/59/84/491775984.db2.gz KNCNSXHNXAUCBI-UHFFFAOYSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)C2)CC1 ZINC000581665988 491781988 /nfs/dbraw/zinc/78/19/88/491781988.db2.gz SIZSGTVAUPKYHW-QGZVFWFLSA-N 2 0 351.539 0.297 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581737622 491785068 /nfs/dbraw/zinc/78/50/68/491785068.db2.gz MQLQAMHJOBRKMG-MWDXBVQZSA-N 2 0 350.507 0.727 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000581942764 491791377 /nfs/dbraw/zinc/79/13/77/491791377.db2.gz SIRWDAGFSFKXQG-MXASKKJJSA-N 2 0 363.506 0.641 20 0 FCADRP CC(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000581962290 491792452 /nfs/dbraw/zinc/79/24/52/491792452.db2.gz RZZARPDTRMPXAV-UHFFFAOYSA-N 2 0 366.437 0.919 20 0 FCADRP Cn1c2ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2oc1=O ZINC000591085614 491795893 /nfs/dbraw/zinc/79/58/93/491795893.db2.gz NYOWODRFJRMXPP-UHFFFAOYSA-N 2 0 370.475 0.245 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582231547 491803318 /nfs/dbraw/zinc/80/33/18/491803318.db2.gz NHOZSDSDIFSRJD-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000582475536 491813735 /nfs/dbraw/zinc/81/37/35/491813735.db2.gz SRTZRUSFWPHFEX-MSOLQXFVSA-N 2 0 367.538 0.422 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000582898152 491831276 /nfs/dbraw/zinc/83/12/76/491831276.db2.gz JIXVKSGNBAURFV-HXUWFJFHSA-N 2 0 362.518 0.623 20 0 FCADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262155 491841152 /nfs/dbraw/zinc/84/11/52/491841152.db2.gz UMRHEJGNBVJCBW-UZLBHIALSA-N 2 0 359.470 0.919 20 0 FCADRP COc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000583372555 491843565 /nfs/dbraw/zinc/84/35/65/491843565.db2.gz TXAOYUWDZRLEFL-UHFFFAOYSA-N 2 0 364.490 0.572 20 0 FCADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000583438991 491844883 /nfs/dbraw/zinc/84/48/83/491844883.db2.gz QUHIJCSQAQRHBJ-KRWDZBQOSA-N 2 0 358.446 0.508 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000583489034 491845947 /nfs/dbraw/zinc/84/59/47/491845947.db2.gz JCPHTIVXYZJUJK-SJORKVTESA-N 2 0 359.474 0.481 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000583866127 491853593 /nfs/dbraw/zinc/85/35/93/491853593.db2.gz WKADBBWQFQWJTM-HLIPFELVSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000583881053 491854068 /nfs/dbraw/zinc/85/40/68/491854068.db2.gz QREQHFXKHUQFEM-QZTJIDSGSA-N 2 0 371.485 0.810 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068489 491858012 /nfs/dbraw/zinc/85/80/12/491858012.db2.gz MSELISXCIKGOAD-ZXGVYTLUSA-N 2 0 362.518 0.916 20 0 FCADRP COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)n1 ZINC000584325073 491862998 /nfs/dbraw/zinc/86/29/98/491862998.db2.gz AQSPCVOFBZZMJF-UHFFFAOYSA-N 2 0 353.467 0.734 20 0 FCADRP O=C(CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH2+]CC1 ZINC000584340375 491863342 /nfs/dbraw/zinc/86/33/42/491863342.db2.gz SRXWXTWHAPRJBC-UHFFFAOYSA-N 2 0 373.501 0.904 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000584349043 491863631 /nfs/dbraw/zinc/86/36/31/491863631.db2.gz YYPLTPMSSWXXCL-YYAJDYIMSA-N 2 0 353.507 0.728 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611638349 491864653 /nfs/dbraw/zinc/86/46/53/491864653.db2.gz SKRCDUDSNNNULR-KMFMINBZSA-N 2 0 364.490 0.097 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(F)(F)F)[NH+](C)C ZINC000612464703 491921623 /nfs/dbraw/zinc/92/16/23/491921623.db2.gz MYXVMQCAOYVENM-IJLUTSLNSA-N 2 0 354.417 0.830 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000612476240 491922939 /nfs/dbraw/zinc/92/29/39/491922939.db2.gz YBTKIEHYIGSVEL-KRWDZBQOSA-N 2 0 362.474 0.448 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000612485281 491924442 /nfs/dbraw/zinc/92/44/42/491924442.db2.gz HWPLVZJVJDECQJ-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542463 491930632 /nfs/dbraw/zinc/93/06/32/491930632.db2.gz IVCDHYDCBXZTOR-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542142 491930955 /nfs/dbraw/zinc/93/09/55/491930955.db2.gz GYZHYUIONZTHCH-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612595849 491936913 /nfs/dbraw/zinc/93/69/13/491936913.db2.gz REGCMDYPWVQOMA-DLBZAZTESA-N 2 0 366.506 0.297 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612598762 491937978 /nfs/dbraw/zinc/93/79/78/491937978.db2.gz IYOOSHXBEFOMOT-IAGOWNOFSA-N 2 0 366.506 0.345 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000612599231 491938090 /nfs/dbraw/zinc/93/80/90/491938090.db2.gz RIZSUKFHBZZHCB-IRXDYDNUSA-N 2 0 364.490 0.053 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916541 491958569 /nfs/dbraw/zinc/95/85/69/491958569.db2.gz AXSDZBHDACJDOJ-LSDHHAIUSA-N 2 0 363.510 0.692 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000602125563 491961734 /nfs/dbraw/zinc/96/17/34/491961734.db2.gz ZCBZHQIWXITCGS-KURKYZTESA-N 2 0 350.507 0.477 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+](C)C1 ZINC000596963878 492007075 /nfs/dbraw/zinc/00/70/75/492007075.db2.gz ITHPTHHAIQMTNJ-QGZVFWFLSA-N 2 0 366.506 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985716 492008685 /nfs/dbraw/zinc/00/86/85/492008685.db2.gz JVICWLKLGUSWQY-HDKMNVHJSA-N 2 0 350.507 0.820 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653348 492066674 /nfs/dbraw/zinc/06/66/74/492066674.db2.gz QIKQOWMZSJPQMM-SJORKVTESA-N 2 0 353.511 0.034 20 0 FCADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC(C[NH+](C)C)C3)C2)C1 ZINC000615505127 492092797 /nfs/dbraw/zinc/09/27/97/492092797.db2.gz NSZZUOWCOSCLQZ-QZTJIDSGSA-N 2 0 364.534 0.833 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+](C)C ZINC000606018989 492111442 /nfs/dbraw/zinc/11/14/42/492111442.db2.gz HUEXJWCIPDSWET-CYBMUJFWSA-N 2 0 363.462 0.582 20 0 FCADRP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606685061 492126072 /nfs/dbraw/zinc/12/60/72/492126072.db2.gz XJBQYDVEGCKDME-OAHLLOKOSA-N 2 0 367.538 0.959 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000606705023 492127680 /nfs/dbraw/zinc/12/76/80/492127680.db2.gz QSIKATYQYZWJQA-KRWDZBQOSA-N 2 0 354.495 0.461 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCCCCC1=O ZINC000607227120 492141043 /nfs/dbraw/zinc/14/10/43/492141043.db2.gz BJBOEYJCVMSGDQ-UHFFFAOYSA-N 2 0 355.527 0.914 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000608687260 492186725 /nfs/dbraw/zinc/18/67/25/492186725.db2.gz DIJTXEMOMFAWKI-BRWVUGGUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000608694560 492187911 /nfs/dbraw/zinc/18/79/11/492187911.db2.gz QTIYNPHZZYINQF-GOSISDBHSA-N 2 0 368.570 0.197 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000617760834 492190159 /nfs/dbraw/zinc/19/01/59/492190159.db2.gz HQKLEMZBOQEWCB-GEEKYZPCSA-N 2 0 356.511 0.447 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000609487734 492209693 /nfs/dbraw/zinc/20/96/93/492209693.db2.gz DIAHHSXHSSVTER-IYBDPMFKSA-N 2 0 369.506 0.829 20 0 FCADRP COC(=O)c1csc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000609571405 492214247 /nfs/dbraw/zinc/21/42/47/492214247.db2.gz UKPLSUBTOTVOIO-UHFFFAOYSA-N 2 0 363.505 0.649 20 0 FCADRP CCn1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000600074781 492241916 /nfs/dbraw/zinc/24/19/16/492241916.db2.gz WJEMSHDGYBOWKG-UHFFFAOYSA-N 2 0 370.457 0.600 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627428671 492291675 /nfs/dbraw/zinc/29/16/75/492291675.db2.gz LKFCOTDINPSOGP-RWMBFGLXSA-N 2 0 364.412 0.573 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641741428 492301882 /nfs/dbraw/zinc/30/18/82/492301882.db2.gz JIVOHQMNRRISTD-SFHVURJKSA-N 2 0 367.538 0.567 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647545173 492303261 /nfs/dbraw/zinc/30/32/61/492303261.db2.gz FPFUZQWUTSBZAJ-MSOLQXFVSA-N 2 0 363.506 0.893 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641778745 492303949 /nfs/dbraw/zinc/30/39/49/492303949.db2.gz XZVBQBYIURPZHU-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641810644 492306955 /nfs/dbraw/zinc/30/69/55/492306955.db2.gz CIOUSCRYRQKCRN-SFHVURJKSA-N 2 0 369.554 0.814 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824227 492309981 /nfs/dbraw/zinc/30/99/81/492309981.db2.gz GQHFZZQOVVJVGH-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627471942 492310139 /nfs/dbraw/zinc/31/01/39/492310139.db2.gz BYFVAFQGHCSSJP-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000641825337 492310329 /nfs/dbraw/zinc/31/03/29/492310329.db2.gz SACGZCYJCKHQDO-JKSUJKDBSA-N 2 0 354.495 0.286 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473279 492311266 /nfs/dbraw/zinc/31/12/66/492311266.db2.gz KSCKFWFHAIBYJI-IXDOHACOSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)CN1Cc1ccccc1 ZINC000627473970 492311899 /nfs/dbraw/zinc/31/18/99/492311899.db2.gz ARIRBWOBARQSQH-RYRKJORJSA-N 2 0 374.485 0.212 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000627472796 492311946 /nfs/dbraw/zinc/31/19/46/492311946.db2.gz ZBGMILJQLLFVEW-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000627481707 492316894 /nfs/dbraw/zinc/31/68/94/492316894.db2.gz HHSHQQLOQOSTJZ-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647569036 492317833 /nfs/dbraw/zinc/31/78/33/492317833.db2.gz ZCODJGUXOINNAX-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000642056012 492331082 /nfs/dbraw/zinc/33/10/82/492331082.db2.gz MZJPEGMWVGGSBO-UHFFFAOYSA-N 2 0 366.506 0.254 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000642094872 492333735 /nfs/dbraw/zinc/33/37/35/492333735.db2.gz IJNBANWHPZVJLA-SQNIBIBYSA-N 2 0 360.502 0.861 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000642096228 492334017 /nfs/dbraw/zinc/33/40/17/492334017.db2.gz UXFITNBNJPNPTM-NVXWUHKLSA-N 2 0 362.474 0.672 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194107 492340101 /nfs/dbraw/zinc/34/01/01/492340101.db2.gz WJMOTKSUMBGAAA-FTRWYGJKSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000642195245 492340210 /nfs/dbraw/zinc/34/02/10/492340210.db2.gz SERHJHQDVOYSFS-MHORFTMASA-N 2 0 356.470 0.616 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCCCC1 ZINC000642220609 492342346 /nfs/dbraw/zinc/34/23/46/492342346.db2.gz TWZNUGQAYJUZRZ-SFHVURJKSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCCCCC1 ZINC000642220464 492342412 /nfs/dbraw/zinc/34/24/12/492342412.db2.gz HGLUQALFGKSZPA-JYJNAYRXSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)([NH+](C)C)C1 ZINC000642236436 492343374 /nfs/dbraw/zinc/34/33/74/492343374.db2.gz RCFULGHRHIPZIW-DRMAHVMPSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)([NH+](C)C)C1 ZINC000642236437 492343543 /nfs/dbraw/zinc/34/35/43/492343543.db2.gz RCFULGHRHIPZIW-JEWRLFTDSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)([NH+](C)C)C1 ZINC000642236392 492343597 /nfs/dbraw/zinc/34/35/97/492343597.db2.gz GASRDVJILFPEDZ-LCEIHVTHSA-N 2 0 350.507 0.809 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253974 492345189 /nfs/dbraw/zinc/34/51/89/492345189.db2.gz USLSQYKDGBZBTN-SJLPKXTDSA-N 2 0 358.486 0.868 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000642255309 492345768 /nfs/dbraw/zinc/34/57/68/492345768.db2.gz JCTQVEXZDYXCEP-IIAWOOMASA-N 2 0 366.462 0.353 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000620931879 492346419 /nfs/dbraw/zinc/34/64/19/492346419.db2.gz SCNWEMBICFCPIM-KRWDZBQOSA-N 2 0 350.507 0.635 20 0 FCADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654773604 492349923 /nfs/dbraw/zinc/34/99/23/492349923.db2.gz DZQKPBQGUDJCFW-QGZVFWFLSA-N 2 0 362.522 0.685 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]1 ZINC000642330550 492352170 /nfs/dbraw/zinc/35/21/70/492352170.db2.gz UOUBFWICSSQRTQ-QBPKDAKJSA-N 2 0 352.523 0.925 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703080 492360732 /nfs/dbraw/zinc/36/07/32/492360732.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 2 0 374.529 0.800 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)CC(C)C ZINC000642531616 492361807 /nfs/dbraw/zinc/36/18/07/492361807.db2.gz CXTWGOCWMMOIIN-PMPSAXMXSA-N 2 0 356.511 0.434 20 0 FCADRP O=C(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000647789696 492362686 /nfs/dbraw/zinc/36/26/86/492362686.db2.gz JPHMIPBHVKYXMB-GVDBMIGSSA-N 2 0 358.490 0.493 20 0 FCADRP C[NH+](C)C1CN(c2ncc(Br)c(N3CC([NH+](C)C)C3)n2)C1 ZINC000634799140 492369407 /nfs/dbraw/zinc/36/94/07/492369407.db2.gz XPULSIFSOZMXAC-UHFFFAOYSA-N 2 0 355.284 0.740 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000642645879 492369896 /nfs/dbraw/zinc/36/98/96/492369896.db2.gz CUFCVQPQAFOGHK-KRWDZBQOSA-N 2 0 358.486 0.535 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642645420 492370289 /nfs/dbraw/zinc/37/02/89/492370289.db2.gz KBSYTBWUJUYBEE-XHSDSOJGSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000642685599 492372687 /nfs/dbraw/zinc/37/26/87/492372687.db2.gz PRMAJQAPSCHWLJ-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000642725992 492380669 /nfs/dbraw/zinc/38/06/69/492380669.db2.gz XPRVABHVBUUPKR-CRAIPNDOSA-N 2 0 370.497 0.412 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729086 492381949 /nfs/dbraw/zinc/38/19/49/492381949.db2.gz DIUOYKZOJSIMRW-RDJZCZTQSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000642731687 492382173 /nfs/dbraw/zinc/38/21/73/492382173.db2.gz JHNQMJRPYLHZIX-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000654945764 492382376 /nfs/dbraw/zinc/38/23/76/492382376.db2.gz DRDVNGVPEHBARI-HOTGVXAUSA-N 2 0 362.478 0.516 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642732682 492382354 /nfs/dbraw/zinc/38/23/54/492382354.db2.gz OREGKWPICGQPHH-VVLHAWIVSA-N 2 0 350.507 0.681 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642732947 492382931 /nfs/dbraw/zinc/38/29/31/492382931.db2.gz IZXGKDAQACFQNP-SFHVURJKSA-N 2 0 358.486 0.809 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[NH2+]C1CC1 ZINC000642735271 492383599 /nfs/dbraw/zinc/38/35/99/492383599.db2.gz OEBILLFWXBFNHI-UHFFFAOYSA-N 2 0 373.501 0.183 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642759507 492386350 /nfs/dbraw/zinc/38/63/50/492386350.db2.gz FVLRZRLXIMNJEP-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975911 492388880 /nfs/dbraw/zinc/38/88/80/492388880.db2.gz HNFKQVNCVBWULR-RYQLBKOJSA-N 2 0 350.507 0.777 20 0 FCADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977763 492390470 /nfs/dbraw/zinc/39/04/70/492390470.db2.gz HFUZVWHXIJKPAV-HZPDHXFCSA-N 2 0 374.551 0.096 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC000642789438 492392834 /nfs/dbraw/zinc/39/28/34/492392834.db2.gz GTFKXQORNHMPFD-HZPDHXFCSA-N 2 0 350.507 0.955 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)cc1 ZINC000642881455 492396663 /nfs/dbraw/zinc/39/66/63/492396663.db2.gz XPYXYVOTMBMVSQ-GOSISDBHSA-N 2 0 374.485 0.817 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000642808945 492396738 /nfs/dbraw/zinc/39/67/38/492396738.db2.gz LSAQJKHXACRDEA-DOTOQJQBSA-N 2 0 362.449 0.584 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000642904418 492400176 /nfs/dbraw/zinc/40/01/76/492400176.db2.gz WBDKLJRALCRTMJ-GOSISDBHSA-N 2 0 358.486 0.979 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000642910324 492402359 /nfs/dbraw/zinc/40/23/59/492402359.db2.gz DPBFEQGNJHTMKL-OXQOHEQNSA-N 2 0 358.486 0.965 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000642993516 492412789 /nfs/dbraw/zinc/41/27/89/492412789.db2.gz DTBMWHSKXUWDBH-GOSISDBHSA-N 2 0 356.470 0.755 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000643012084 492413518 /nfs/dbraw/zinc/41/35/18/492413518.db2.gz ITFOJIODBGDZSY-GOSISDBHSA-N 2 0 374.485 0.134 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000643013073 492414618 /nfs/dbraw/zinc/41/46/18/492414618.db2.gz SIXZOSJIIBRQRI-PZPYZRKGSA-N 2 0 374.529 0.809 20 0 FCADRP CC(=O)N1CCCc2cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc21 ZINC000643088712 492419116 /nfs/dbraw/zinc/41/91/16/492419116.db2.gz PLGMTZHQHIQNRZ-UHFFFAOYSA-N 2 0 368.503 0.674 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621838588 492421108 /nfs/dbraw/zinc/42/11/08/492421108.db2.gz GGSYZFBOOLFZQD-SPCJURDBSA-N 2 0 350.507 0.809 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621844884 492425087 /nfs/dbraw/zinc/42/50/87/492425087.db2.gz YTJKJMKYTVOFEA-NQIIRXRSSA-N 2 0 370.497 0.891 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000621845157 492425099 /nfs/dbraw/zinc/42/50/99/492425099.db2.gz CPXWIWJSOBTNDD-BEFAXECRSA-N 2 0 364.490 0.087 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000621845392 492425236 /nfs/dbraw/zinc/42/52/36/492425236.db2.gz IRHFUIDQHKSJIY-JXFKEZNVSA-N 2 0 371.485 0.754 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621844886 492425469 /nfs/dbraw/zinc/42/54/69/492425469.db2.gz YTJKJMKYTVOFEA-WIYYLYMNSA-N 2 0 370.497 0.891 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028216 492443170 /nfs/dbraw/zinc/44/31/70/492443170.db2.gz NYFZYBPBHYVCOI-KDOFPFPSSA-N 2 0 364.515 0.978 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622029809 492444163 /nfs/dbraw/zinc/44/41/63/492444163.db2.gz LSMQMWQJNQVVOF-FCEWJHQRSA-N 2 0 366.506 0.286 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449907 492444397 /nfs/dbraw/zinc/44/43/97/492444397.db2.gz URYBZSAVFAQZHN-YLJYHZDGSA-N 2 0 372.517 0.885 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000622029444 492444575 /nfs/dbraw/zinc/44/45/75/492444575.db2.gz GRGWHKAZJOEGAS-UOSKARGWSA-N 2 0 360.502 0.802 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000655467201 492445150 /nfs/dbraw/zinc/44/51/50/492445150.db2.gz KJFJPPHRDPBMEJ-XYJFISCASA-N 2 0 371.547 0.734 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000635487453 492456812 /nfs/dbraw/zinc/45/68/12/492456812.db2.gz OFCPKJPNRVOFNN-MRXNPFEDSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635526208 492464148 /nfs/dbraw/zinc/46/41/48/492464148.db2.gz IAHHZVLYPJPTPN-DLBZAZTESA-N 2 0 357.462 0.996 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635526211 492464219 /nfs/dbraw/zinc/46/42/19/492464219.db2.gz IAHHZVLYPJPTPN-IRXDYDNUSA-N 2 0 357.462 0.996 20 0 FCADRP O=C(C[C@@H]1CCC(=O)NC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000622339163 492471154 /nfs/dbraw/zinc/47/11/54/492471154.db2.gz KIGHJJLDLQFRPX-INIZCTEOSA-N 2 0 359.474 0.626 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C[C@H]21 ZINC000643478980 492475143 /nfs/dbraw/zinc/47/51/43/492475143.db2.gz YBBXFEWEMRNQEL-USXIJHARSA-N 2 0 357.458 0.316 20 0 FCADRP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483348 492477827 /nfs/dbraw/zinc/47/78/27/492477827.db2.gz OQIUFFCRPTZYAL-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478541 /nfs/dbraw/zinc/47/85/41/492478541.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]1 ZINC000643487008 492478935 /nfs/dbraw/zinc/47/89/35/492478935.db2.gz SZDMNBRUCHTUFF-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643502454 492483369 /nfs/dbraw/zinc/48/33/69/492483369.db2.gz GXCOAETUBQHTKE-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643511162 492485705 /nfs/dbraw/zinc/48/57/05/492485705.db2.gz GGJIDQKZMATBKV-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000643524142 492489682 /nfs/dbraw/zinc/48/96/82/492489682.db2.gz OJNJZZURNFLPBW-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000643531750 492491126 /nfs/dbraw/zinc/49/11/26/492491126.db2.gz FSFIBHXYSZALNS-QZTJIDSGSA-N 2 0 374.485 0.296 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532539 492492715 /nfs/dbraw/zinc/49/27/15/492492715.db2.gz TYPJCXCTJYDZCC-HCXYKTFWSA-N 2 0 370.497 0.882 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@H]1C[NH3+] ZINC000643549795 492496735 /nfs/dbraw/zinc/49/67/35/492496735.db2.gz QVMZATWJXXNIBY-MUQADHOPSA-N 2 0 362.518 0.905 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643553573 492498624 /nfs/dbraw/zinc/49/86/24/492498624.db2.gz INEIDUQQYOZYNY-SJORKVTESA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000643553512 492498816 /nfs/dbraw/zinc/49/88/16/492498816.db2.gz DQSMCIANJUCYPH-KRWDZBQOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635749036 492500733 /nfs/dbraw/zinc/50/07/33/492500733.db2.gz IBDNKALOXSTIDQ-ROUUACIJSA-N 2 0 366.550 0.829 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000643592226 492502435 /nfs/dbraw/zinc/50/24/35/492502435.db2.gz JELSTSIQBAEBAM-SFHVURJKSA-N 2 0 358.486 0.930 20 0 FCADRP CCOC(CNC(=O)[C@@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635785117 492504693 /nfs/dbraw/zinc/50/46/93/492504693.db2.gz CELABTSTHVYGCK-IRXDYDNUSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649277519 492517782 /nfs/dbraw/zinc/51/77/82/492517782.db2.gz BVIQDHQCUKMTPB-IRXDYDNUSA-N 2 0 370.457 0.443 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000656022433 492520053 /nfs/dbraw/zinc/52/00/53/492520053.db2.gz GPGWBUZLEAAFAY-UONOGXRCSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000649311268 492528833 /nfs/dbraw/zinc/52/88/33/492528833.db2.gz BVHNLBUUXIBMBE-PBHICJAKSA-N 2 0 354.458 0.989 20 0 FCADRP C[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000649311271 492528991 /nfs/dbraw/zinc/52/89/91/492528991.db2.gz BVHNLBUUXIBMBE-YOEHRIQHSA-N 2 0 354.458 0.989 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934292 492531290 /nfs/dbraw/zinc/53/12/90/492531290.db2.gz OOKRIMDQUHXEBK-RDJZCZTQSA-N 2 0 366.506 0.299 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)C1 ZINC000649321070 492531973 /nfs/dbraw/zinc/53/19/73/492531973.db2.gz KJEZNHLAASHJKO-WNRNVDISSA-N 2 0 356.470 0.466 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)C1 ZINC000649321069 492532252 /nfs/dbraw/zinc/53/22/52/492532252.db2.gz KJEZNHLAASHJKO-BDXSIMOUSA-N 2 0 356.470 0.466 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N1CC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2C1 ZINC000635986638 492536701 /nfs/dbraw/zinc/53/67/01/492536701.db2.gz GKJIDUKDTKHNBT-FOIPXRHGSA-N 2 0 362.518 0.872 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000656086743 492547806 /nfs/dbraw/zinc/54/78/06/492547806.db2.gz IUGAXILOOWPXAV-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000649410562 492551055 /nfs/dbraw/zinc/55/10/55/492551055.db2.gz IKQTUINLOIIMLA-DLBZAZTESA-N 2 0 368.522 0.186 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000656104594 492552156 /nfs/dbraw/zinc/55/21/56/492552156.db2.gz RQENCUYTRZUXOY-HRCADAONSA-N 2 0 350.507 0.905 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000656298324 492576077 /nfs/dbraw/zinc/57/60/77/492576077.db2.gz CVRYZTZLQLOPQV-SFHVURJKSA-N 2 0 370.563 0.873 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656299091 492577161 /nfs/dbraw/zinc/57/71/61/492577161.db2.gz XAHNSNQWMGDNES-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000636458682 492590855 /nfs/dbraw/zinc/59/08/55/492590855.db2.gz MOJVXWKKDFHMCN-SFHVURJKSA-N 2 0 358.486 0.896 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000636536442 492613446 /nfs/dbraw/zinc/61/34/46/492613446.db2.gz ICFSESIKFXYKPR-INIZCTEOSA-N 2 0 350.463 0.493 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[C@@H]1C(F)(F)F ZINC000629814078 492686250 /nfs/dbraw/zinc/68/62/50/492686250.db2.gz OTMYUUJOXRCFJZ-RDBSUJKOSA-N 2 0 374.407 0.445 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000629814278 492686339 /nfs/dbraw/zinc/68/63/39/492686339.db2.gz HFFKCWBMJDBGCV-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP CCN1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000636793837 492695313 /nfs/dbraw/zinc/69/53/13/492695313.db2.gz CKQAZAWTDSAXEL-TVFCKZIOSA-N 2 0 368.522 0.990 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636813987 492701730 /nfs/dbraw/zinc/70/17/30/492701730.db2.gz DKSKLFHROIZGAP-AWEZNQCLSA-N 2 0 350.467 0.992 20 0 FCADRP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000630796083 492775476 /nfs/dbraw/zinc/77/54/76/492775476.db2.gz LDQXATYRVHOFIR-USTZCAOPSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631068119 492796204 /nfs/dbraw/zinc/79/62/04/492796204.db2.gz WZWYLHGIZGRGJY-LBPRGKRZSA-N 2 0 360.911 0.713 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000637376748 492816164 /nfs/dbraw/zinc/81/61/64/492816164.db2.gz NNTKIGUKVLMJEQ-HOTGVXAUSA-N 2 0 351.495 0.596 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637375926 492816377 /nfs/dbraw/zinc/81/63/77/492816377.db2.gz VMGYNPQBVIYORB-HNNXBMFYSA-N 2 0 351.495 0.596 20 0 FCADRP CN(C)C1(CS(=O)(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000631717602 492840004 /nfs/dbraw/zinc/84/00/04/492840004.db2.gz HHYAXGXZWMJHSE-UHFFFAOYSA-N 2 0 354.476 0.432 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813196 492869734 /nfs/dbraw/zinc/86/97/34/492869734.db2.gz LVQFQKHQFYXONJ-WBVHZDCISA-N 2 0 360.458 0.365 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000637841019 492871434 /nfs/dbraw/zinc/87/14/34/492871434.db2.gz RORNUCHYNJKAOE-IRXDYDNUSA-N 2 0 365.522 0.747 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000631937149 492892265 /nfs/dbraw/zinc/89/22/65/492892265.db2.gz DDJHCXSKURFDPH-UHFFFAOYSA-N 2 0 360.568 0.795 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC000652218236 492895827 /nfs/dbraw/zinc/89/58/27/492895827.db2.gz CJYUZZHFJUWDHE-YDHLFZDLSA-N 2 0 363.428 0.593 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652270173 492902824 /nfs/dbraw/zinc/90/28/24/492902824.db2.gz XUXJZMPWRIYYRI-CQSZACIVSA-N 2 0 351.426 0.281 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000638097988 492904941 /nfs/dbraw/zinc/90/49/41/492904941.db2.gz YRKFCTVVRFXKJH-DLBZAZTESA-N 2 0 362.474 0.754 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000638123469 492911316 /nfs/dbraw/zinc/91/13/16/492911316.db2.gz RCTXMDZJGPGKAV-SJORKVTESA-N 2 0 351.422 0.901 20 0 FCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652347734 492913111 /nfs/dbraw/zinc/91/31/11/492913111.db2.gz KKCWOXHPBRVJJH-KKUMJFAQSA-N 2 0 352.479 0.925 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348668 492913583 /nfs/dbraw/zinc/91/35/83/492913583.db2.gz MLLMFUFCMXTQDT-XYJFISCASA-N 3 0 352.523 0.805 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638134719 492913792 /nfs/dbraw/zinc/91/37/92/492913792.db2.gz OFJFHCKZBFJVLI-USWWRNFRSA-N 2 0 354.405 0.963 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638134494 492914169 /nfs/dbraw/zinc/91/41/69/492914169.db2.gz NUKLXDZVFXITMB-QUCCMNQESA-N 2 0 360.502 0.687 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352223 492914480 /nfs/dbraw/zinc/91/44/80/492914480.db2.gz VBSQWCIFLBQIIV-BXWFABGCSA-N 2 0 358.490 0.575 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632036720 492916306 /nfs/dbraw/zinc/91/63/06/492916306.db2.gz AMBBICRMDPFXBU-KRWDZBQOSA-N 2 0 360.568 0.760 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138227 492917193 /nfs/dbraw/zinc/91/71/93/492917193.db2.gz YHLXEPCNBSQRSC-QFBILLFUSA-N 2 0 362.518 0.955 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141424 492917356 /nfs/dbraw/zinc/91/73/56/492917356.db2.gz UHTMOJIPFZJGTQ-IEBWSBKVSA-N 3 0 361.490 0.477 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632057421 492920941 /nfs/dbraw/zinc/92/09/41/492920941.db2.gz DBEYERKVPCRSKG-SFHVURJKSA-N 2 0 372.579 0.617 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638220075 492922995 /nfs/dbraw/zinc/92/29/95/492922995.db2.gz NBBJRESKARDNGC-CYBMUJFWSA-N 2 0 366.428 0.297 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638221078 492923068 /nfs/dbraw/zinc/92/30/68/492923068.db2.gz VNRPFBWZYYDWDX-INIZCTEOSA-N 2 0 370.419 0.827 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000632122237 492934127 /nfs/dbraw/zinc/93/41/27/492934127.db2.gz PILWGIVSDMVMRW-IAGOWNOFSA-N 2 0 358.552 0.370 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000632169858 492942949 /nfs/dbraw/zinc/94/29/49/492942949.db2.gz IFSPSKNCIGOYSM-UHFFFAOYSA-N 2 0 358.552 0.514 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000632170653 492943092 /nfs/dbraw/zinc/94/30/92/492943092.db2.gz HNSSQMWFFDHGJU-ROUUACIJSA-N 2 0 369.531 0.741 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632185734 492947429 /nfs/dbraw/zinc/94/74/29/492947429.db2.gz JLURDAGEUSLRTM-INIZCTEOSA-N 2 0 360.568 0.616 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632206843 492950307 /nfs/dbraw/zinc/95/03/07/492950307.db2.gz TXZFPPDPDXJVJX-UHFFFAOYSA-N 2 0 360.568 0.617 20 0 FCADRP C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632306895 492969669 /nfs/dbraw/zinc/96/96/69/492969669.db2.gz YLVKYYLJZOGMOD-HDICACEKSA-N 2 0 360.502 0.769 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638727689 492972940 /nfs/dbraw/zinc/97/29/40/492972940.db2.gz IUEJGLSMUJQGHW-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000638729571 492973768 /nfs/dbraw/zinc/97/37/68/492973768.db2.gz RYVXSUPAQXYEBT-OAHLLOKOSA-N 2 0 362.478 0.530 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638754739 492976693 /nfs/dbraw/zinc/97/66/93/492976693.db2.gz DLARFJNOBSOLPC-FUHWJXTLSA-N 2 0 354.458 0.951 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)C1=O ZINC000638856255 492982360 /nfs/dbraw/zinc/98/23/60/492982360.db2.gz LTAUYLPNEFXMSS-RDJZCZTQSA-N 2 0 374.489 0.233 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1=O ZINC000638856233 492982464 /nfs/dbraw/zinc/98/24/64/492982464.db2.gz LJIOYNFBEFLOSU-SJORKVTESA-N 2 0 374.489 0.233 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)C1=O ZINC000638856256 492982614 /nfs/dbraw/zinc/98/26/14/492982614.db2.gz LTAUYLPNEFXMSS-WBVHZDCISA-N 2 0 374.489 0.233 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652668487 492983211 /nfs/dbraw/zinc/98/32/11/492983211.db2.gz BNCOEJHQNPEDEW-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673709 492985164 /nfs/dbraw/zinc/98/51/64/492985164.db2.gz YSQOENVWSLGNBR-DMRKSPOLSA-N 2 0 368.522 0.291 20 0 FCADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000638900412 492985643 /nfs/dbraw/zinc/98/56/43/492985643.db2.gz GJQKPHXLYFZNDW-UHFFFAOYSA-N 2 0 364.471 0.959 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000638987969 492990104 /nfs/dbraw/zinc/99/01/04/492990104.db2.gz PYMRRLVRSJDXGQ-NEPJUHHUSA-N 2 0 371.363 0.887 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000638985147 492990293 /nfs/dbraw/zinc/99/02/93/492990293.db2.gz ADPYYALELUTRGC-HXUWFJFHSA-N 2 0 365.437 0.888 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632427109 492996373 /nfs/dbraw/zinc/99/63/73/492996373.db2.gz WAYSPTUVZNHDTR-UHFFFAOYSA-N 2 0 360.568 0.808 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CCCCC1 ZINC000652708049 492996709 /nfs/dbraw/zinc/99/67/09/492996709.db2.gz LMPLWPIIMCOHMW-KRWDZBQOSA-N 2 0 367.538 0.249 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000646007248 492999753 /nfs/dbraw/zinc/99/97/53/492999753.db2.gz OWNUOPZUGAQBRC-OFLPRAFFSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000639163367 493000895 /nfs/dbraw/zinc/00/08/95/493000895.db2.gz XGTMAJWKWAEODS-GDBMZVCRSA-N 2 0 361.552 0.919 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725717 493005230 /nfs/dbraw/zinc/00/52/30/493005230.db2.gz RGJDMWYUWMIYDL-QGZVFWFLSA-N 2 0 350.507 0.683 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652726658 493006008 /nfs/dbraw/zinc/00/60/08/493006008.db2.gz GZHNGWAGSWPQOM-GVDBMIGSSA-N 2 0 366.506 0.286 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652726657 493006034 /nfs/dbraw/zinc/00/60/34/493006034.db2.gz GZHNGWAGSWPQOM-BBWFWOEESA-N 2 0 366.506 0.286 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652728366 493006422 /nfs/dbraw/zinc/00/64/22/493006422.db2.gz HOZLTBXFKOGGLL-BBWFWOEESA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652730046 493007289 /nfs/dbraw/zinc/00/72/89/493007289.db2.gz GMWXOMDTPVSOMO-OAHLLOKOSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730695 493008298 /nfs/dbraw/zinc/00/82/98/493008298.db2.gz MDTWQIJOFXONER-BBWFWOEESA-N 2 0 368.522 0.530 20 0 FCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000646069189 493009828 /nfs/dbraw/zinc/00/98/28/493009828.db2.gz VEXFOGBAZUMTKK-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105719 493013136 /nfs/dbraw/zinc/01/31/36/493013136.db2.gz FCSSWIXLYXLXBM-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000652737362 493013327 /nfs/dbraw/zinc/01/33/27/493013327.db2.gz HRWPHRDJNDGNJN-SJORKVTESA-N 2 0 366.506 0.286 20 0 FCADRP Cn1nnnc1-c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000626765660 493015699 /nfs/dbraw/zinc/01/56/99/493015699.db2.gz VCZVGLRKGHGTOO-UHFFFAOYSA-N 2 0 360.466 0.834 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000632575198 493033385 /nfs/dbraw/zinc/03/33/85/493033385.db2.gz DQZRBSSJCHHSDZ-UHFFFAOYSA-N 2 0 372.579 0.665 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000626853082 493037719 /nfs/dbraw/zinc/03/77/19/493037719.db2.gz KUIFAWNFPMFRRO-UHFFFAOYSA-N 2 0 363.462 0.631 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000626879712 493046122 /nfs/dbraw/zinc/04/61/22/493046122.db2.gz MYNMDXCNOZAKFQ-OAHLLOKOSA-N 2 0 364.446 0.060 20 0 FCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626934813 493067830 /nfs/dbraw/zinc/06/78/30/493067830.db2.gz OBRCASJTZZXGOE-SFHVURJKSA-N 2 0 369.473 0.670 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)C1 ZINC000653181307 493081904 /nfs/dbraw/zinc/08/19/04/493081904.db2.gz DOPIYMAKHFFEGS-FZKCQIBNSA-N 2 0 352.479 0.071 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1=O ZINC000653261428 493087200 /nfs/dbraw/zinc/08/72/00/493087200.db2.gz RJZJRDMXIQOSJG-QBPKDAKJSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000627113868 493089731 /nfs/dbraw/zinc/08/97/31/493089731.db2.gz OXAWQWVNNVVCOP-XEZPLFJOSA-N 2 0 354.401 0.698 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC[NH+](C)C ZINC000633031272 493106769 /nfs/dbraw/zinc/10/67/69/493106769.db2.gz TVNVFYWTEKYWBL-IYBDPMFKSA-N 2 0 360.458 0.837 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627233166 493112851 /nfs/dbraw/zinc/11/28/51/493112851.db2.gz OGDLONKHMCVGEP-OAHLLOKOSA-N 2 0 365.482 0.065 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000627234804 493114582 /nfs/dbraw/zinc/11/45/82/493114582.db2.gz LJGNLWGHZMTOIB-UAGQMJEPSA-N 2 0 361.494 0.876 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633079525 493117401 /nfs/dbraw/zinc/11/74/01/493117401.db2.gz WSKARCIVXZCWJS-CALCHBBNSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259097 493120163 /nfs/dbraw/zinc/12/01/63/493120163.db2.gz MZCGTTNWSHNCGR-IAGOWNOFSA-N 2 0 351.491 0.689 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000633116559 493132402 /nfs/dbraw/zinc/13/24/02/493132402.db2.gz VHCDLZQVWHZVGM-YESZJQIVSA-N 2 0 350.507 0.905 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000627291236 493135914 /nfs/dbraw/zinc/13/59/14/493135914.db2.gz OIPGQSTZFLNJND-INIZCTEOSA-N 2 0 362.474 0.756 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627291741 493136045 /nfs/dbraw/zinc/13/60/45/493136045.db2.gz CWQAYOJAGWJLKI-IAGOWNOFSA-N 2 0 360.458 0.044 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627291899 493136927 /nfs/dbraw/zinc/13/69/27/493136927.db2.gz HPXXYLCGENYDHX-DLBZAZTESA-N 2 0 362.474 0.073 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N(C)CCOCC[NH3+])CC2)CC1 ZINC000627296904 493139267 /nfs/dbraw/zinc/13/92/67/493139267.db2.gz WNHSYMHKLXUPCJ-UHFFFAOYSA-N 2 0 368.522 0.579 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000627296667 493139354 /nfs/dbraw/zinc/13/93/54/493139354.db2.gz OJYZDOLQZDYSQJ-AQFXKWCLSA-N 2 0 366.506 0.250 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647000809 493143744 /nfs/dbraw/zinc/14/37/44/493143744.db2.gz UFPNGMOOOLNZAS-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312227 493146439 /nfs/dbraw/zinc/14/64/39/493146439.db2.gz TVYVPSASFXOCTF-DOTOQJQBSA-N 2 0 362.474 0.372 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627321367 493151155 /nfs/dbraw/zinc/15/11/55/493151155.db2.gz LJWXHSRVZPRILP-GJZGRUSLSA-N 2 0 368.865 0.164 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCCCC1 ZINC000627324955 493154017 /nfs/dbraw/zinc/15/40/17/493154017.db2.gz UKSXYWUUQOPXIB-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627325933 493154623 /nfs/dbraw/zinc/15/46/23/493154623.db2.gz YPMULMCQJRRFQS-WOPDTQHZSA-N 2 0 352.401 0.429 20 0 FCADRP CCCN(C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647076124 493158438 /nfs/dbraw/zinc/15/84/38/493158438.db2.gz NPQPHGGRTHCYKH-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(F)c1 ZINC000659426743 493174505 /nfs/dbraw/zinc/17/45/05/493174505.db2.gz CDDNQXWFSXYDLS-AWEZNQCLSA-N 2 0 362.409 0.882 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000627357757 493174589 /nfs/dbraw/zinc/17/45/89/493174589.db2.gz PIZUGFCPCJPHIO-QZTJIDSGSA-N 2 0 374.485 0.434 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000627357756 493174793 /nfs/dbraw/zinc/17/47/93/493174793.db2.gz PIZUGFCPCJPHIO-MSOLQXFVSA-N 2 0 374.485 0.434 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659427944 493174926 /nfs/dbraw/zinc/17/49/26/493174926.db2.gz UZYUACUJYDBZGL-OAHLLOKOSA-N 2 0 358.446 0.613 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659450890 493181705 /nfs/dbraw/zinc/18/17/05/493181705.db2.gz HGYRNULHRAVHTA-UHFFFAOYSA-N 2 0 363.510 0.758 20 0 FCADRP O[C@]1(Cn2cc(CCN3CC[NH2+]CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641228650 493185274 /nfs/dbraw/zinc/18/52/74/493185274.db2.gz BXOBCLBEQXAHPE-HXUWFJFHSA-N 2 0 370.501 0.363 20 0 FCADRP O[C@@]1(Cn2cc(CN3CC[NH2+]CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641229106 493186201 /nfs/dbraw/zinc/18/62/01/493186201.db2.gz GKMXWIGBQUHIME-IBGZPJMESA-N 2 0 356.474 0.320 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)CC2)N1 ZINC000647294553 493190610 /nfs/dbraw/zinc/19/06/10/493190610.db2.gz GSDKBBMBWZRSGY-VTLRXDCVSA-N 2 0 364.490 0.865 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cn(CC[NH3+])nn1 ZINC000659318260 493190786 /nfs/dbraw/zinc/19/07/86/493190786.db2.gz CGAANJLZIUAPFT-UHFFFAOYSA-N 2 0 352.389 0.719 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000659558354 493212945 /nfs/dbraw/zinc/21/29/45/493212945.db2.gz DXQMPTQXZAIMAM-UHFFFAOYSA-N 2 0 353.442 0.446 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590870 493217570 /nfs/dbraw/zinc/21/75/70/493217570.db2.gz QNYUFWWHWTXGAE-JFIYKMOQSA-N 2 0 350.438 0.637 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000659616521 493221106 /nfs/dbraw/zinc/22/11/06/493221106.db2.gz LPSSJVMEOHLVCP-SFANZJOMSA-N 2 0 358.486 0.921 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659631164 493225477 /nfs/dbraw/zinc/22/54/77/493225477.db2.gz ANRYZIHGZHYSNR-CQSZACIVSA-N 2 0 366.466 0.283 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2N)C1 ZINC000666910971 493236410 /nfs/dbraw/zinc/23/64/10/493236410.db2.gz LCMWIUPNMRDDDF-HUUCEWRRSA-N 2 0 373.501 0.632 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@H]2C1 ZINC000666961374 493242116 /nfs/dbraw/zinc/24/21/16/493242116.db2.gz MPCHEMPHPFJUGW-LRDDRELGSA-N 2 0 360.433 0.963 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000666976898 493244129 /nfs/dbraw/zinc/24/41/29/493244129.db2.gz RWGMHJAHNQSNEP-INIZCTEOSA-N 2 0 354.495 0.338 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659674562 493245429 /nfs/dbraw/zinc/24/54/29/493245429.db2.gz NAYGIYJDEYMWRV-PBHICJAKSA-N 2 0 362.474 0.672 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1=CC[N@H+](C)CC1 ZINC000659700917 493261345 /nfs/dbraw/zinc/26/13/45/493261345.db2.gz ASKKLNDZJVNRRB-MAUKXSAKSA-N 2 0 362.518 0.991 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659702796 493262241 /nfs/dbraw/zinc/26/22/41/493262241.db2.gz UXCNQWNJFRSIHC-KSZLIROESA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CC2)c1N)C1CC1 ZINC000667158717 493263398 /nfs/dbraw/zinc/26/33/98/493263398.db2.gz HCWQRTKXAMRCBQ-UHFFFAOYSA-N 2 0 373.501 0.917 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659712384 493267676 /nfs/dbraw/zinc/26/76/76/493267676.db2.gz JANVMNHPWVXOMI-KRWDZBQOSA-N 2 0 359.474 0.278 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659716204 493269306 /nfs/dbraw/zinc/26/93/06/493269306.db2.gz UZSQECUXVBKDDG-WMLDXEAASA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659716203 493269556 /nfs/dbraw/zinc/26/95/56/493269556.db2.gz UZSQECUXVBKDDG-RHSMWYFYSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000667264319 493270496 /nfs/dbraw/zinc/27/04/96/493270496.db2.gz JKDRBPKHSYKWER-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP CC1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[NH2+]CC1 ZINC000659720256 493271284 /nfs/dbraw/zinc/27/12/84/493271284.db2.gz RSYVOVNFEOCJPI-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659726911 493274372 /nfs/dbraw/zinc/27/43/72/493274372.db2.gz CQSLHGKBZGHEMV-CRAIPNDOSA-N 2 0 373.501 0.606 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659728504 493275106 /nfs/dbraw/zinc/27/51/06/493275106.db2.gz JSVHEIFWGUNURH-MAUKXSAKSA-N 2 0 373.501 0.606 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000659738845 493279807 /nfs/dbraw/zinc/27/98/07/493279807.db2.gz IYHGEMYFOPXJLM-YESZJQIVSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000659747650 493283769 /nfs/dbraw/zinc/28/37/69/493283769.db2.gz GALFDPUFTWFRAD-RYQLBKOJSA-N 2 0 371.485 0.449 20 0 FCADRP COCn1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000667680915 493295893 /nfs/dbraw/zinc/29/58/93/493295893.db2.gz VZDDTKKMZFIOFC-UHFFFAOYSA-N 2 0 358.446 0.824 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667795952 493302314 /nfs/dbraw/zinc/30/23/14/493302314.db2.gz WLZNNQDYEUADAK-UHFFFAOYSA-N 2 0 374.489 0.745 20 0 FCADRP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1C/C=C\C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682539061 493307233 /nfs/dbraw/zinc/30/72/33/493307233.db2.gz VLPWRAUKYJJIRT-CYJIWRBHSA-N 2 0 360.502 0.714 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660055083 493320104 /nfs/dbraw/zinc/32/01/04/493320104.db2.gz CEAPBTJQLGOZRM-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673427941 493327470 /nfs/dbraw/zinc/32/74/70/493327470.db2.gz SMRWLVDZNGHARL-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000668526239 493371020 /nfs/dbraw/zinc/37/10/20/493371020.db2.gz BQXKZIIPNZGZRU-GUYCJALGSA-N 2 0 356.536 0.529 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)n2)CC1 ZINC000683866228 493375057 /nfs/dbraw/zinc/37/50/57/493375057.db2.gz WQRCWTBVBRAQBT-INIZCTEOSA-N 2 0 374.489 0.785 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000660830058 493383014 /nfs/dbraw/zinc/38/30/14/493383014.db2.gz KUVQMGSWRBKQQK-SJLPKXTDSA-N 2 0 367.538 0.422 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668731352 493402813 /nfs/dbraw/zinc/40/28/13/493402813.db2.gz AJTHJESRNUCLMG-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843689 493419895 /nfs/dbraw/zinc/41/98/95/493419895.db2.gz WISDRFUEIIKOTE-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143835 493467918 /nfs/dbraw/zinc/46/79/18/493467918.db2.gz FGHIDPDWJOZGBX-GOEBONIOSA-N 2 0 368.522 0.448 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000685305271 493473834 /nfs/dbraw/zinc/47/38/34/493473834.db2.gz SWZBRNLYSLEHDJ-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000662058283 493486576 /nfs/dbraw/zinc/48/65/76/493486576.db2.gz WWOIRKHKOPKKHR-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000662221620 493497523 /nfs/dbraw/zinc/49/75/23/493497523.db2.gz BGZLOGJQEANVOV-NFQUHZNNSA-N 2 0 368.566 0.291 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413887 493502434 /nfs/dbraw/zinc/50/24/34/493502434.db2.gz KOFMPDZXBLBBRV-UHFFFAOYSA-N 2 0 373.501 0.630 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669417463 493502952 /nfs/dbraw/zinc/50/29/52/493502952.db2.gz CXIHGRXNHGBEHF-DOTOQJQBSA-N 2 0 358.490 0.727 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669417464 493502977 /nfs/dbraw/zinc/50/29/77/493502977.db2.gz CXIHGRXNHGBEHF-NVXWUHKLSA-N 2 0 358.490 0.727 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669417465 493503194 /nfs/dbraw/zinc/50/31/94/493503194.db2.gz CXIHGRXNHGBEHF-RDJZCZTQSA-N 2 0 358.490 0.727 20 0 FCADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)NCCCN1CCCC1=O ZINC000662291626 493503790 /nfs/dbraw/zinc/50/37/90/493503790.db2.gz VWTIZFGPMVEOQZ-KRWDZBQOSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000669462502 493505078 /nfs/dbraw/zinc/50/50/78/493505078.db2.gz QHJWDHQJUSYQLV-YJBOKZPZSA-N 2 0 364.490 0.927 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000662381146 493511289 /nfs/dbraw/zinc/51/12/89/493511289.db2.gz WBYBFMRADWVRDM-UHFFFAOYSA-N 2 0 357.462 0.179 20 0 FCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401639 493512972 /nfs/dbraw/zinc/51/29/72/493512972.db2.gz PMIWCSJJYCGHHO-FUHWJXTLSA-N 2 0 356.470 0.891 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662404772 493513723 /nfs/dbraw/zinc/51/37/23/493513723.db2.gz JJWVVSOJLUUUGH-DLBZAZTESA-N 2 0 358.486 0.992 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994313 493517037 /nfs/dbraw/zinc/51/70/37/493517037.db2.gz ABNRCCWGNBFPEB-NVXWUHKLSA-N 2 0 365.522 0.665 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662462534 493518183 /nfs/dbraw/zinc/51/81/83/493518183.db2.gz KHQRPCAHDILWRJ-HNNXBMFYSA-N 2 0 364.515 0.530 20 0 FCADRP COCCNC(=O)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000669687570 493521519 /nfs/dbraw/zinc/52/15/19/493521519.db2.gz OZWHTLLYYVSQMR-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662691706 493532118 /nfs/dbraw/zinc/53/21/18/493532118.db2.gz ICBNKNUFGZZFSO-HNNXBMFYSA-N 2 0 350.467 0.433 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721062 493534723 /nfs/dbraw/zinc/53/47/23/493534723.db2.gz PUAZULUPNFUFMI-MOPGFXCFSA-N 2 0 360.502 0.626 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662751977 493537855 /nfs/dbraw/zinc/53/78/55/493537855.db2.gz NNCDKEUSUIQRQQ-CABCVRRESA-N 2 0 354.495 0.093 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755543 493539051 /nfs/dbraw/zinc/53/90/51/493539051.db2.gz CYWZHUSVPFWKAC-QYZOEREBSA-N 2 0 360.502 0.845 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662755457 493539121 /nfs/dbraw/zinc/53/91/21/493539121.db2.gz AUHVDFIUZSYKED-QZTJIDSGSA-N 2 0 362.474 0.615 20 0 FCADRP O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C1(O)C[NH2+]C1 ZINC000662756718 493539507 /nfs/dbraw/zinc/53/95/07/493539507.db2.gz JTXAPWJTCGNPPU-UHFFFAOYSA-N 2 0 367.453 0.677 20 0 FCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758063 493540025 /nfs/dbraw/zinc/54/00/25/493540025.db2.gz QOKYGKQUYNLBCA-UHFFFAOYSA-N 2 0 372.391 0.408 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676307201 493544565 /nfs/dbraw/zinc/54/45/65/493544565.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 2 0 369.554 0.763 20 0 FCADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832502 493545421 /nfs/dbraw/zinc/54/54/21/493545421.db2.gz HKYDLYIMYACWBT-JKSUJKDBSA-N 2 0 362.478 0.357 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845248 493546340 /nfs/dbraw/zinc/54/63/40/493546340.db2.gz GSIQAPOGMQKVTM-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@](F)(CO)C1 ZINC000670117542 493547165 /nfs/dbraw/zinc/54/71/65/493547165.db2.gz GTFLGFLUXFZLGI-SFHVURJKSA-N 2 0 365.453 0.710 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946168 493559177 /nfs/dbraw/zinc/55/91/77/493559177.db2.gz BBTBGSIEJXNOCM-AEFFLSMTSA-N 2 0 358.486 0.582 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1=O ZINC000670391018 493560433 /nfs/dbraw/zinc/56/04/33/493560433.db2.gz UVBWBUKEBCEIBA-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP CN(C(=O)C(=O)NCc1ccccn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670478570 493572386 /nfs/dbraw/zinc/57/23/86/493572386.db2.gz NRIZHHSOSVGCKG-QGZVFWFLSA-N 2 0 359.474 0.325 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607666 493580759 /nfs/dbraw/zinc/58/07/59/493580759.db2.gz BVYZFHSCMATYAZ-OALUTQOASA-N 2 0 372.513 0.876 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607667 493580889 /nfs/dbraw/zinc/58/08/89/493580889.db2.gz BVYZFHSCMATYAZ-RBUKOAKNSA-N 2 0 372.513 0.876 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000670709365 493589400 /nfs/dbraw/zinc/58/94/00/493589400.db2.gz OTKDYOHWUTXAEA-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000670984502 493619649 /nfs/dbraw/zinc/61/96/49/493619649.db2.gz MYDYFULBNYEHSG-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670997463 493622112 /nfs/dbraw/zinc/62/21/12/493622112.db2.gz NBDTWAVOKAJBGT-MRXNPFEDSA-N 2 0 359.474 0.721 20 0 FCADRP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677912635 493623816 /nfs/dbraw/zinc/62/38/16/493623816.db2.gz UHOAQYNFUINNGT-CQSZACIVSA-N 2 0 370.475 0.168 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000671071957 493629898 /nfs/dbraw/zinc/62/98/98/493629898.db2.gz VTOHBPBNLSRGQT-GOSISDBHSA-N 2 0 368.547 0.627 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080728 493633266 /nfs/dbraw/zinc/63/32/66/493633266.db2.gz GQRNZUPQNQKCOA-PMACEKPBSA-N 2 0 374.529 0.893 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671104247 493634155 /nfs/dbraw/zinc/63/41/55/493634155.db2.gz SSZVMCOKIMJPPA-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104278 493635012 /nfs/dbraw/zinc/63/50/12/493635012.db2.gz NABNNMGGTYPSLD-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181864 493647630 /nfs/dbraw/zinc/64/76/30/493647630.db2.gz SZWDSPWNPAWVEP-IRXDYDNUSA-N 2 0 357.458 0.473 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671365590 493660873 /nfs/dbraw/zinc/66/08/73/493660873.db2.gz AMEFNEKZNSCOLY-HOTGVXAUSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C[C@@H]1O ZINC000664475730 493662415 /nfs/dbraw/zinc/66/24/15/493662415.db2.gz TZFAKYIPXVYQFC-NXOAAHMSSA-N 2 0 354.495 0.071 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000665232844 493705847 /nfs/dbraw/zinc/70/58/47/493705847.db2.gz VZHQAIBCXYFTJK-RGIVZKHGSA-N 2 0 352.475 0.957 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671815761 493706900 /nfs/dbraw/zinc/70/69/00/493706900.db2.gz CNCOMQUOJDYTAX-NVXWUHKLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000671849795 493708581 /nfs/dbraw/zinc/70/85/81/493708581.db2.gz CYXFVVWMPRAZNU-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)CN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001881 493723228 /nfs/dbraw/zinc/72/32/28/493723228.db2.gz YMHYXAFRRBUMTP-UHFFFAOYSA-N 2 0 361.490 0.824 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014205 493724994 /nfs/dbraw/zinc/72/49/94/493724994.db2.gz KTXHOJLKTPHEBV-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013575 493725087 /nfs/dbraw/zinc/72/50/87/493725087.db2.gz LRULFUDJBIRQCL-YOEHRIQHSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000665887248 493742538 /nfs/dbraw/zinc/74/25/38/493742538.db2.gz HRHJKNJICZDCAN-ICSRJNTNSA-N 2 0 361.486 0.586 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310090 493754344 /nfs/dbraw/zinc/75/43/44/493754344.db2.gz GKBJMKITNJELDD-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310252 493754359 /nfs/dbraw/zinc/75/43/59/493754359.db2.gz LTKOOWFGVOWBKI-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000666183563 493760992 /nfs/dbraw/zinc/76/09/92/493760992.db2.gz KLYZAGGKOGLXQT-HNNXBMFYSA-N 2 0 350.467 0.508 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847519 527823174 /nfs/dbraw/zinc/82/31/74/527823174.db2.gz WOSFUWXOGWOSOL-SJLPKXTDSA-N 2 0 364.534 0.977 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000410494963 527824449 /nfs/dbraw/zinc/82/44/49/527824449.db2.gz UBDDVXZZYHRWTJ-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731985 527842567 /nfs/dbraw/zinc/84/25/67/527842567.db2.gz RBESLOJWDAVOJP-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413265085 528343398 /nfs/dbraw/zinc/34/33/98/528343398.db2.gz KPMQITMYFDTXNW-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000410808732 528432545 /nfs/dbraw/zinc/43/25/45/528432545.db2.gz LDHJYHLRUXDSJA-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C1 ZINC000178884647 529056639 /nfs/dbraw/zinc/05/66/39/529056639.db2.gz JEINGEXFAHZYAE-QGZVFWFLSA-N 2 0 352.523 0.759 20 0 FCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000436066443 534978519 /nfs/dbraw/zinc/97/85/19/534978519.db2.gz QWJAIHDRTRTBOO-CYBMUJFWSA-N 2 0 353.467 0.026 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419195137 535068572 /nfs/dbraw/zinc/06/85/72/535068572.db2.gz UPVCWOZUHASTOI-GOSISDBHSA-N 2 0 360.502 0.909 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000419154727 535081581 /nfs/dbraw/zinc/08/15/81/535081581.db2.gz QLLAEFSRWAIKMM-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C[NH+]1CCCC1 ZINC000419670316 535082197 /nfs/dbraw/zinc/08/21/97/535082197.db2.gz WTPITGBMQDWRAD-ARFHVFGLSA-N 2 0 350.507 0.810 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000419861206 535102408 /nfs/dbraw/zinc/10/24/08/535102408.db2.gz DSQPTGHGFOXJOY-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660091 535186642 /nfs/dbraw/zinc/18/66/42/535186642.db2.gz JNJQXJGOXWMJPT-DOTOQJQBSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000423714977 535438496 /nfs/dbraw/zinc/43/84/96/535438496.db2.gz GWMDWIKCTRBTAJ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000416799129 535532271 /nfs/dbraw/zinc/53/22/71/535532271.db2.gz PDRXKEBDBSFHBQ-JKSUJKDBSA-N 2 0 353.511 0.618 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000420151742 535543739 /nfs/dbraw/zinc/54/37/39/535543739.db2.gz YUKJPQJPFLKESC-WBVHZDCISA-N 2 0 368.522 0.593 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423521336 535543782 /nfs/dbraw/zinc/54/37/82/535543782.db2.gz LAAOAKDBNNTVCD-HOCLYGCPSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419849250 535544334 /nfs/dbraw/zinc/54/43/34/535544334.db2.gz YBDURBVIODDPOU-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)C1 ZINC000423431080 535549759 /nfs/dbraw/zinc/54/97/59/535549759.db2.gz AGTFAWDRNIKATD-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935708 535556406 /nfs/dbraw/zinc/55/64/06/535556406.db2.gz ASHFIDWAAJEICT-BRWVUGGUSA-N 2 0 350.507 0.953 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])CC(C)C ZINC000419128217 535668947 /nfs/dbraw/zinc/66/89/47/535668947.db2.gz VOLOYEVIKIAXGO-ULQDDVLXSA-N 2 0 370.538 0.824 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)CC(C)C ZINC000419128295 535669142 /nfs/dbraw/zinc/66/91/42/535669142.db2.gz WACGASAVUMWLFB-HOTGVXAUSA-N 2 0 356.511 0.435 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000415439103 535750176 /nfs/dbraw/zinc/75/01/76/535750176.db2.gz CJPOZBRALQVNTQ-KRWDZBQOSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419844823 535864061 /nfs/dbraw/zinc/86/40/61/535864061.db2.gz OUHNFEOGOVEVCC-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419660042 535901968 /nfs/dbraw/zinc/90/19/68/535901968.db2.gz KJRKZKDSAWGSJU-INIZCTEOSA-N 2 0 362.474 0.235 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000419215292 535903288 /nfs/dbraw/zinc/90/32/88/535903288.db2.gz NZLLVPHNXQFDGM-FQEVSTJZSA-N 2 0 374.485 0.455 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415325516 535907719 /nfs/dbraw/zinc/90/77/19/535907719.db2.gz JBMGDDACWUHTNF-GFCCVEGCSA-N 2 0 354.838 0.697 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000419873976 536123874 /nfs/dbraw/zinc/12/38/74/536123874.db2.gz ZHTXIIMEGCMDCX-CJNGLKHVSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000419411983 536123921 /nfs/dbraw/zinc/12/39/21/536123921.db2.gz QHMUZUBAKGKTLW-BBRMVZONSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000423429981 536354617 /nfs/dbraw/zinc/35/46/17/536354617.db2.gz MHALOXFMIIEHHH-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419152549 536367997 /nfs/dbraw/zinc/36/79/97/536367997.db2.gz ONSOEZFPFCUGDD-LSDHHAIUSA-N 2 0 364.515 0.897 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418967839 536368172 /nfs/dbraw/zinc/36/81/72/536368172.db2.gz SQIJRMHVSPLTFX-QGZVFWFLSA-N 2 0 374.485 0.598 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000419152548 536368344 /nfs/dbraw/zinc/36/83/44/536368344.db2.gz ONSOEZFPFCUGDD-HUUCEWRRSA-N 2 0 364.515 0.897 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163116 536417015 /nfs/dbraw/zinc/41/70/15/536417015.db2.gz JCXHCLHCRXJLFC-ROUUACIJSA-N 2 0 374.485 0.214 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423307358 536433616 /nfs/dbraw/zinc/43/36/16/536433616.db2.gz MZQIXRCMWMHJPP-ZWKOTPCHSA-N 2 0 374.485 0.153 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890988 536433709 /nfs/dbraw/zinc/43/37/09/536433709.db2.gz JEWLJOXTTGNBQA-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419193877 536450182 /nfs/dbraw/zinc/45/01/82/536450182.db2.gz RRPCDTFFGHFJGD-CQSZACIVSA-N 2 0 364.465 0.878 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419757786 536481124 /nfs/dbraw/zinc/48/11/24/536481124.db2.gz DCZVMSZNVOINJK-MSOLQXFVSA-N 2 0 358.486 0.867 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C1CC1 ZINC000419761935 536481370 /nfs/dbraw/zinc/48/13/70/536481370.db2.gz LHCSDIJOCUJHGE-SFHVURJKSA-N 2 0 358.486 0.963 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419452401 536496360 /nfs/dbraw/zinc/49/63/60/536496360.db2.gz PGAWESRLGNXJRQ-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP COC[C@]1(CNC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCC[NH2+]1 ZINC000417548369 536681995 /nfs/dbraw/zinc/68/19/95/536681995.db2.gz QMURZMBBTKYJHM-GOSISDBHSA-N 2 0 356.511 0.944 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419753567 536747406 /nfs/dbraw/zinc/74/74/06/536747406.db2.gz NXZLIPQDOMWUSZ-AWEZNQCLSA-N 2 0 356.511 0.482 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423602988 536775314 /nfs/dbraw/zinc/77/53/14/536775314.db2.gz GJWVWMBWJZZIKV-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC000948385692 674376247 /nfs/dbraw/zinc/37/62/47/674376247.db2.gz OMYJUBDFLSTVCG-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736268 546747694 /nfs/dbraw/zinc/74/76/94/546747694.db2.gz KWUFSMJDZJFEBM-LZWOXQAQSA-N 2 0 352.479 0.973 20 0 FCADRP C[C@@H]1COCCN1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548764276 547063429 /nfs/dbraw/zinc/06/34/29/547063429.db2.gz FYVGUQLBTIIZES-SJORKVTESA-N 2 0 354.495 0.461 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043025 547122366 /nfs/dbraw/zinc/12/23/66/547122366.db2.gz RIWVJDZGYACGPN-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000551217935 547135277 /nfs/dbraw/zinc/13/52/77/547135277.db2.gz YOTFEURCWNORAO-QGZVFWFLSA-N 2 0 354.520 0.283 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280335 547138989 /nfs/dbraw/zinc/13/89/89/547138989.db2.gz NUVMHUMKSJCSFL-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552278756 547197643 /nfs/dbraw/zinc/19/76/43/547197643.db2.gz MCSNWSNERBQQJA-CVEARBPZSA-N 2 0 359.536 0.924 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000553093269 547253532 /nfs/dbraw/zinc/25/35/32/547253532.db2.gz AUCHGTOMZRAZNN-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553092444 547253582 /nfs/dbraw/zinc/25/35/82/547253582.db2.gz FZXBSMJQXXBZDB-DOTOQJQBSA-N 2 0 354.564 0.956 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000553164350 547256375 /nfs/dbraw/zinc/25/63/75/547256375.db2.gz NJHDJUVPPRMJKE-YESZJQIVSA-N 2 0 350.507 0.726 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000553367730 547273820 /nfs/dbraw/zinc/27/38/20/547273820.db2.gz YQZVVPKWJPFWKI-LSDHHAIUSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000736767798 598890299 /nfs/dbraw/zinc/89/02/99/598890299.db2.gz SHQPNSPTVDMVRE-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736568996 599028548 /nfs/dbraw/zinc/02/85/48/599028548.db2.gz FPWUFHSZLJSUTB-OAHLLOKOSA-N 2 0 372.477 0.750 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000736767896 598287363 /nfs/dbraw/zinc/28/73/63/598287363.db2.gz TXWPKGXYZJFSBD-INIZCTEOSA-N 2 0 357.462 0.709 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736573530 598463646 /nfs/dbraw/zinc/46/36/46/598463646.db2.gz ZKUJMDPFONFRBS-OAHLLOKOSA-N 2 0 372.477 0.750 20 0 FCADRP CCCC[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736457941 598527401 /nfs/dbraw/zinc/52/74/01/598527401.db2.gz SDZSENBXZNPYKN-CYBMUJFWSA-N 2 0 359.482 0.959 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882868 598530315 /nfs/dbraw/zinc/53/03/15/598530315.db2.gz USAOZUIWUSNSAN-KBPBESRZSA-N 2 0 359.482 0.815 20 0 FCADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736758277 598533014 /nfs/dbraw/zinc/53/30/14/598533014.db2.gz DUIOSYUZTGNQAB-INIZCTEOSA-N 2 0 360.462 0.880 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000951153966 674450486 /nfs/dbraw/zinc/45/04/86/674450486.db2.gz QYFWBEVAYKHIEL-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736859205 599355430 /nfs/dbraw/zinc/35/54/30/599355430.db2.gz XMDHLDOTIMFGOD-GDBMZVCRSA-N 2 0 360.462 0.880 20 0 FCADRP C[C@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245804044 674491679 /nfs/dbraw/zinc/49/16/79/674491679.db2.gz LJIRCMWEMCADNC-QLFBSQMISA-N 2 0 359.536 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000954411742 674496876 /nfs/dbraw/zinc/49/68/76/674496876.db2.gz UZEYNTJVWXBSBY-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954490564 674498158 /nfs/dbraw/zinc/49/81/58/674498158.db2.gz AHMUTEZKWFQKSR-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000955342543 674511276 /nfs/dbraw/zinc/51/12/76/674511276.db2.gz YUIQVCBTKLAYJY-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000957013856 674533583 /nfs/dbraw/zinc/53/35/83/674533583.db2.gz KVZZDDAUFLLVTH-IDHHARJASA-N 2 0 350.507 0.918 20 0 FCADRP c1cc(N2CC[NH+](CCCNc3ccc(-c4nn[nH]n4)nn3)CC2)cc[nH+]1 ZINC000826516853 608409471 /nfs/dbraw/zinc/40/94/71/608409471.db2.gz FDCYIGAZLUJZCE-UHFFFAOYSA-N 2 0 366.433 0.676 20 0 FCADRP CN(CC[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000826023028 608418584 /nfs/dbraw/zinc/41/85/84/608418584.db2.gz VZSWPKDZLYQALD-SFHVURJKSA-N 2 0 373.505 0.858 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000989478820 665817208 /nfs/dbraw/zinc/81/72/08/665817208.db2.gz PUXUZDIVTHXUKF-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000924631370 665856090 /nfs/dbraw/zinc/85/60/90/665856090.db2.gz MDLQYLWPUZMSGA-WMZOPIPTSA-N 2 0 374.595 0.908 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924671814 665861265 /nfs/dbraw/zinc/86/12/65/665861265.db2.gz HRHROWQJJOEROF-UHFFFAOYSA-N 2 0 350.467 0.309 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898579544 665887400 /nfs/dbraw/zinc/88/74/00/665887400.db2.gz QEGIHZGDQVBJBR-GOSISDBHSA-N 2 0 351.491 0.714 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000899200821 665932400 /nfs/dbraw/zinc/93/24/00/665932400.db2.gz OXLOLXOSTFYNCV-QGZVFWFLSA-N 2 0 351.491 0.857 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891346654 663354785 /nfs/dbraw/zinc/35/47/85/663354785.db2.gz BFPWBRXGTFGIEG-BARDWOONSA-N 2 0 353.467 0.293 20 0 FCADRP C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CC[NH+](C)CC1 ZINC000090081308 663386188 /nfs/dbraw/zinc/38/61/88/663386188.db2.gz UGJPSAYGLOUXPI-CQSZACIVSA-N 2 0 369.535 0.893 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)[NH+](C)C ZINC001022020058 663388307 /nfs/dbraw/zinc/38/83/07/663388307.db2.gz DIBQZUVVIOIAMF-GVDBMIGSSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022105227 663404729 /nfs/dbraw/zinc/40/47/29/663404729.db2.gz VKHRDKQJIZLEMQ-DGXTUMSLSA-N 2 0 357.520 0.388 20 0 FCADRP CC1(C)CN(CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000891472621 663408269 /nfs/dbraw/zinc/40/82/69/663408269.db2.gz OALGMRPSHQPJLX-OAHLLOKOSA-N 2 0 354.495 0.555 20 0 FCADRP CC1(C)CN(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCO1 ZINC000891472644 663408352 /nfs/dbraw/zinc/40/83/52/663408352.db2.gz OFBMQNPMDPATIN-VXGBXAGGSA-N 2 0 352.401 0.876 20 0 FCADRP CC[N@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000891484643 663409176 /nfs/dbraw/zinc/40/91/76/663409176.db2.gz HQXBWUWCMGVKEH-KFWWJZLASA-N 2 0 353.467 0.293 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891536927 663413033 /nfs/dbraw/zinc/41/30/33/663413033.db2.gz XHQSLFBRCSLACF-UHFFFAOYSA-N 2 0 353.511 0.890 20 0 FCADRP CC(C)[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCN(C)CC1 ZINC000891751617 663433569 /nfs/dbraw/zinc/43/35/69/663433569.db2.gz BDCXPSTXRXMEKV-KRWDZBQOSA-N 2 0 355.527 0.014 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000892082302 663474377 /nfs/dbraw/zinc/47/43/77/663474377.db2.gz IUFJLZADLUNVLG-HNNXBMFYSA-N 2 0 351.495 0.644 20 0 FCADRP COCC1(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000892111890 663477695 /nfs/dbraw/zinc/47/76/95/663477695.db2.gz FPFFHXOBXMOBON-NWDGAFQWSA-N 2 0 352.401 0.781 20 0 FCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892135155 663480634 /nfs/dbraw/zinc/48/06/34/663480634.db2.gz MYXXKTYNNFIYNF-SJORKVTESA-N 2 0 355.527 0.600 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000947507572 663519339 /nfs/dbraw/zinc/51/93/39/663519339.db2.gz PXMMFXCAZDYSNP-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000904457025 665989813 /nfs/dbraw/zinc/98/98/13/665989813.db2.gz KHSJNIOJCDJUIH-OAHLLOKOSA-N 2 0 350.467 0.992 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000892459051 663928313 /nfs/dbraw/zinc/92/83/13/663928313.db2.gz QXAAATHHNLWUHC-UHFFFAOYSA-N 2 0 351.495 0.644 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000892753496 664137158 /nfs/dbraw/zinc/13/71/58/664137158.db2.gz KJPSVWHFHSFIBS-GFCCVEGCSA-N 2 0 365.503 0.828 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCC[N@H+]1CCCO ZINC000892760538 664138681 /nfs/dbraw/zinc/13/86/81/664138681.db2.gz UIVGEBFTIMKCEL-HOTGVXAUSA-N 2 0 354.495 0.291 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000892919282 664154695 /nfs/dbraw/zinc/15/46/95/664154695.db2.gz LBXYSPHVGXMYDY-OAHLLOKOSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025793924 664192037 /nfs/dbraw/zinc/19/20/37/664192037.db2.gz BKCNXKIGMISCBD-KPLDXPABSA-N 2 0 369.531 0.198 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCS(=O)CC1 ZINC000893231259 664217711 /nfs/dbraw/zinc/21/77/11/664217711.db2.gz FUDRDNVFBMDCBS-COYMHYPVSA-N 2 0 351.516 0.776 20 0 FCADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893353324 664248921 /nfs/dbraw/zinc/24/89/21/664248921.db2.gz NWCCWTYOFLNVOH-WMLDXEAASA-N 2 0 367.515 0.891 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC000975033324 664301946 /nfs/dbraw/zinc/30/19/46/664301946.db2.gz CUOOCADGJKTCAV-YYIAUSFCSA-N 2 0 352.523 0.972 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H](C)C(=O)NC)C3)CC[N@@H+]1C ZINC000981778820 664839566 /nfs/dbraw/zinc/83/95/66/664839566.db2.gz RRUIYUQBZQFBGZ-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000893742629 664872877 /nfs/dbraw/zinc/87/28/77/664872877.db2.gz KYEYNBHXFRNVDO-DJIMGWMZSA-N 2 0 354.495 0.384 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C[C@H]2C1 ZINC000893739471 664873042 /nfs/dbraw/zinc/87/30/42/664873042.db2.gz BCIBADZUXNZJRQ-MVJTYMMSSA-N 2 0 350.507 0.957 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894163738 664901991 /nfs/dbraw/zinc/90/19/91/664901991.db2.gz GQGNDYMXDOYLGB-IRXDYDNUSA-N 2 0 356.511 0.585 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000982779688 664911919 /nfs/dbraw/zinc/91/19/19/664911919.db2.gz UWBZMTQSRHPYIQ-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1(F)F ZINC000894210438 664924954 /nfs/dbraw/zinc/92/49/54/664924954.db2.gz GEHLEUWFQKDDGI-ZIAGYGMSSA-N 2 0 354.401 0.977 20 0 FCADRP Cc1csc(=O)n1CCN1CC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001038402423 664942450 /nfs/dbraw/zinc/94/24/50/664942450.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 0 368.503 0.128 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000924993049 664955298 /nfs/dbraw/zinc/95/52/98/664955298.db2.gz NUCAQCACLUIGCT-CVEARBPZSA-N 2 0 356.511 0.848 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000983714339 664985461 /nfs/dbraw/zinc/98/54/61/664985461.db2.gz PYNNDMDOWJIJLG-YYFQZIEXSA-N 2 0 350.463 0.006 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983807137 664997717 /nfs/dbraw/zinc/99/77/17/664997717.db2.gz UGUOBLKGZVHKNA-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000985065713 665130070 /nfs/dbraw/zinc/13/00/70/665130070.db2.gz MFQWYKMYJPCFJO-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237305173 665168666 /nfs/dbraw/zinc/16/86/66/665168666.db2.gz CKKHBIZZOCTAAF-KRWDZBQOSA-N 2 0 365.499 0.499 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000987964376 665271836 /nfs/dbraw/zinc/27/18/36/665271836.db2.gz SVVXQGAPVUTECW-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988084570 665274538 /nfs/dbraw/zinc/27/45/38/665274538.db2.gz FEFWJZWGCQZQOV-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000897458548 665289359 /nfs/dbraw/zinc/28/93/59/665289359.db2.gz AVDMEQZIJSBSJO-INIZCTEOSA-N 2 0 353.511 0.620 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000897505763 665296619 /nfs/dbraw/zinc/29/66/19/665296619.db2.gz PSLLMRHOPSOQFO-INIZCTEOSA-N 2 0 353.511 0.762 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338847 666020501 /nfs/dbraw/zinc/02/05/01/666020501.db2.gz AGJJXVNSQIKCMZ-CALCHBBNSA-N 2 0 372.579 0.806 20 0 FCADRP COc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1OC ZINC000906913801 666076658 /nfs/dbraw/zinc/07/66/58/666076658.db2.gz WWVVJCPBMGVXKK-UHFFFAOYSA-N 2 0 359.492 0.818 20 0 FCADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908120463 666186820 /nfs/dbraw/zinc/18/68/20/666186820.db2.gz VRDKYDLOXJUUQP-LXPRWKDFSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)([NH+](C)C)C1 ZINC000910998539 666300853 /nfs/dbraw/zinc/30/08/53/666300853.db2.gz CZJCOOFYFKXXPO-GGXPGOJBSA-N 2 0 350.507 0.681 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911033691 666307147 /nfs/dbraw/zinc/30/71/47/666307147.db2.gz JQUXVUIOVAPLPB-PMPSAXMXSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911336793 666338246 /nfs/dbraw/zinc/33/82/46/666338246.db2.gz NNNWICWKFRSMIH-CVEARBPZSA-N 2 0 352.479 0.004 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504546 666361780 /nfs/dbraw/zinc/36/17/80/666361780.db2.gz KWJGLYOGKDHIBZ-UHFFFAOYSA-N 2 0 352.866 0.838 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000938549587 666469442 /nfs/dbraw/zinc/46/94/42/666469442.db2.gz UEZHTNGWECUYMC-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939887563 666531068 /nfs/dbraw/zinc/53/10/68/666531068.db2.gz QRFUDPBUXRAJRH-MUIFIZLQSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886821 666531204 /nfs/dbraw/zinc/53/12/04/666531204.db2.gz BMQQIISIQKEGOT-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000940764292 666560622 /nfs/dbraw/zinc/56/06/22/666560622.db2.gz AASCPCZDCQRIDI-DMRKSPOLSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992316163 666633304 /nfs/dbraw/zinc/63/33/04/666633304.db2.gz AKYKZIVHTATZAZ-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000734274698 666958567 /nfs/dbraw/zinc/95/85/67/666958567.db2.gz LIYDVCQENMZMIR-RDJZCZTQSA-N 2 0 354.495 0.602 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000999189680 667230232 /nfs/dbraw/zinc/23/02/32/667230232.db2.gz MVNSVGYJURJHHX-HYVNUMGLSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000999199521 667230716 /nfs/dbraw/zinc/23/07/16/667230716.db2.gz HKYZRVXXLJKYHD-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985429 667258730 /nfs/dbraw/zinc/25/87/30/667258730.db2.gz CCELKIWSWYYTPI-VNQPRFMTSA-N 2 0 350.467 0.128 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC001002259200 667528385 /nfs/dbraw/zinc/52/83/85/667528385.db2.gz ZTGDPHOFYRFFJV-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002460329 667543179 /nfs/dbraw/zinc/54/31/79/667543179.db2.gz DCKYIQBTELMMRL-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001002530182 667546510 /nfs/dbraw/zinc/54/65/10/667546510.db2.gz UPQIOSMWVYIIIH-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922349311 667643119 /nfs/dbraw/zinc/64/31/19/667643119.db2.gz SDBIVXLTQZHVCL-FGTMMUONSA-N 2 0 352.523 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001034567974 667761261 /nfs/dbraw/zinc/76/12/61/667761261.db2.gz CEMYLITXEXIOTC-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922983429 667797156 /nfs/dbraw/zinc/79/71/56/667797156.db2.gz IQOHKRNRMGYLRV-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nnc[nH]1 ZINC000923141937 667808634 /nfs/dbraw/zinc/80/86/34/667808634.db2.gz FYFJCZSTWSDHEW-OAHLLOKOSA-N 2 0 351.499 0.795 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760487983 667851308 /nfs/dbraw/zinc/85/13/08/667851308.db2.gz VBGYGXVZCJTSQB-UHFFFAOYSA-N 2 0 369.579 0.735 20 0 FCADRP CC[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000923589588 667853130 /nfs/dbraw/zinc/85/31/30/667853130.db2.gz QRNQMBDITYTYIO-QGZVFWFLSA-N 2 0 352.504 0.563 20 0 FCADRP CN(C)C(=O)[C@H]1CN(CC[NH+]2CCCC2)CCN1CC[NH+]1CCCC1 ZINC000760859574 667866892 /nfs/dbraw/zinc/86/68/92/667866892.db2.gz GQLARHAANICIHX-GOSISDBHSA-N 2 0 351.539 0.252 20 0 FCADRP CCOC(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000741073341 668010950 /nfs/dbraw/zinc/01/09/50/668010950.db2.gz CRPQMJQLXPIGNK-UHFFFAOYSA-N 2 0 357.499 0.742 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000774431178 668150821 /nfs/dbraw/zinc/15/08/21/668150821.db2.gz KFHULUDUZOBLTF-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C)C[NH+](C)C ZINC000805428928 668247193 /nfs/dbraw/zinc/24/71/93/668247193.db2.gz ZBXUVNVKWRGUDN-UWVGGRQHSA-N 2 0 358.380 0.390 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819061608 668975839 /nfs/dbraw/zinc/97/58/39/668975839.db2.gz LSOKTLKFIZGDCE-HNNXBMFYSA-N 2 0 358.527 0.878 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819134897 668982853 /nfs/dbraw/zinc/98/28/53/668982853.db2.gz OTFYYIKEGMERCB-GOSISDBHSA-N 2 0 369.531 0.739 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819389140 669001108 /nfs/dbraw/zinc/00/11/08/669001108.db2.gz JMBUZVQTMIJSNS-GOSISDBHSA-N 2 0 369.531 0.739 20 0 FCADRP CSC1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+](C)CC1 ZINC000811876804 669777136 /nfs/dbraw/zinc/77/71/36/669777136.db2.gz ZZVZHYXGRGVGRM-CABCVRRESA-N 2 0 356.536 0.976 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817936757 670049321 /nfs/dbraw/zinc/04/93/21/670049321.db2.gz VGZDANCGGPFGDR-LJQANCHMSA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)NC(=O)N[C@@H]1C ZINC000818340511 670097685 /nfs/dbraw/zinc/09/76/85/670097685.db2.gz OMMNWSINEIUVBA-CHWSQXEVSA-N 2 0 350.463 0.969 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000842015800 670625914 /nfs/dbraw/zinc/62/59/14/670625914.db2.gz NMTGHWYJXHRGPT-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000842050239 670630181 /nfs/dbraw/zinc/63/01/81/670630181.db2.gz RTKTZTHMPYGMJH-BEFAXECRSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000842473264 670692335 /nfs/dbraw/zinc/69/23/35/670692335.db2.gz WOZYHANCWCORDZ-INIZCTEOSA-N 2 0 352.479 0.751 20 0 FCADRP C[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843353504 670804043 /nfs/dbraw/zinc/80/40/43/670804043.db2.gz KJDGZSDWVSBLCG-STQMWFEESA-N 2 0 351.451 0.332 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000846032415 671071578 /nfs/dbraw/zinc/07/15/78/671071578.db2.gz AAGGTOUAZMKXHC-ZNMIVQPWSA-N 2 0 354.495 0.851 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000968019148 675178578 /nfs/dbraw/zinc/17/85/78/675178578.db2.gz RYOAOJIKRMAUFY-BBWFWOEESA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051250 671316182 /nfs/dbraw/zinc/31/61/82/671316182.db2.gz CSLIROYUTHFPTP-CHWSQXEVSA-N 2 0 351.417 0.848 20 0 FCADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000849111026 671318406 /nfs/dbraw/zinc/31/84/06/671318406.db2.gz FZMAROIQIZSKFF-AWEZNQCLSA-N 2 0 356.515 0.509 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852063886 671484906 /nfs/dbraw/zinc/48/49/06/671484906.db2.gz SZBWARRHIFKCGG-YESZJQIVSA-N 2 0 352.479 0.402 20 0 FCADRP C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511479 675936011 /nfs/dbraw/zinc/93/60/11/675936011.db2.gz VFFOVGIQILTARJ-OWLYRPNTSA-N 2 0 350.507 0.571 20 0 FCADRP C[Si](C)(CC[NH+]1CCOC[C@H]1CCO)CC[N@@H+]1CCOC[C@@H]1CCO ZINC000859216450 671801622 /nfs/dbraw/zinc/80/16/22/671801622.db2.gz JLXATLFCKGUHAF-HDICACEKSA-N 2 0 374.598 0.861 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@@H](NC(N)=O)C1)CC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000859218240 671801669 /nfs/dbraw/zinc/80/16/69/671801669.db2.gz JJVISDGMOFJDEV-OKILXGFUSA-N 2 0 370.574 0.180 20 0 FCADRP O=C(C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000903718836 675963284 /nfs/dbraw/zinc/96/32/84/675963284.db2.gz RQCBJHJFHZZWMF-QGZVFWFLSA-N 2 0 351.491 0.716 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000861742346 671989574 /nfs/dbraw/zinc/98/95/74/671989574.db2.gz GVEMYLTULVMVNG-ZIAGYGMSSA-N 2 0 352.504 0.882 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861914613 672009061 /nfs/dbraw/zinc/00/90/61/672009061.db2.gz ULKXOLZTLQLGJY-BARDWOONSA-N 2 0 354.495 0.850 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000863752112 672149757 /nfs/dbraw/zinc/14/97/57/672149757.db2.gz AYKQESJRQCZXFD-UHFFFAOYSA-N 2 0 350.463 0.140 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(F)(F)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000865924725 672256043 /nfs/dbraw/zinc/25/60/43/672256043.db2.gz BCCSQCGCDYVGCT-KBPBESRZSA-N 2 0 360.449 0.727 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000865942800 672257473 /nfs/dbraw/zinc/25/74/73/672257473.db2.gz CFSWBCHIRBTFRV-SYQHCUMBSA-N 2 0 360.449 0.820 20 0 FCADRP CS[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583663 676025279 /nfs/dbraw/zinc/02/52/79/676025279.db2.gz XLJUNMSAWJQKKD-IIAWOOMASA-N 2 0 370.563 0.775 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(C)(F)F)CC2)CC[N@@H+]1C ZINC001055583498 676025429 /nfs/dbraw/zinc/02/54/29/676025429.db2.gz QERUBMNBFDNSIE-TZMCWYRMSA-N 2 0 360.449 0.679 20 0 FCADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000872141677 672594138 /nfs/dbraw/zinc/59/41/38/672594138.db2.gz NQLBAJYJPQRGCV-HNNXBMFYSA-N 2 0 359.536 0.734 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056549058 676047269 /nfs/dbraw/zinc/04/72/69/676047269.db2.gz VACYVTXKAMICFI-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000876784091 672980095 /nfs/dbraw/zinc/98/00/95/672980095.db2.gz WRYRVBJSDIVYSV-CQSZACIVSA-N 2 0 351.520 0.894 20 0 FCADRP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)sn1 ZINC001051624926 676107180 /nfs/dbraw/zinc/10/71/80/676107180.db2.gz VZAZOKHNLDUTIF-UMVBOHGHSA-N 2 0 368.503 0.809 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248663 673107095 /nfs/dbraw/zinc/10/70/95/673107095.db2.gz WQKQEQIJXFZACS-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001051622983 676106785 /nfs/dbraw/zinc/10/67/85/676106785.db2.gz BHGOHFIIENPYCA-KBRIMQKVSA-N 2 0 350.438 0.878 20 0 FCADRP COC(=O)c1ncnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1OC ZINC000882678446 673336510 /nfs/dbraw/zinc/33/65/10/673336510.db2.gz AGLBROBRTXNSQU-CHWSQXEVSA-N 2 0 351.451 0.447 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000883436418 673375479 /nfs/dbraw/zinc/37/54/79/673375479.db2.gz SIFXHNHSVQMJPG-KRWDZBQOSA-N 2 0 354.495 0.650 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000884305610 673445284 /nfs/dbraw/zinc/44/52/84/673445284.db2.gz AWOFSIGEXLMIPB-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000884488305 673456673 /nfs/dbraw/zinc/45/66/73/673456673.db2.gz SFQTYWPMVSNZGZ-CHWSQXEVSA-N 2 0 362.465 0.830 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884493679 673457195 /nfs/dbraw/zinc/45/71/95/673457195.db2.gz AKXWQYNHIQSHHR-NVXWUHKLSA-N 2 0 352.523 0.914 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612500 673465942 /nfs/dbraw/zinc/46/59/42/673465942.db2.gz MSTXPVVHFSNJHU-SUMWQHHRSA-N 2 0 356.536 0.434 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[NH2+]C1 ZINC000884625443 673466926 /nfs/dbraw/zinc/46/69/26/673466926.db2.gz JKGOKQIDIHVWSL-MRXNPFEDSA-N 2 0 350.507 0.871 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884627099 673467222 /nfs/dbraw/zinc/46/72/22/673467222.db2.gz DOFYIMVDHCTEFU-LIRRHRJNSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1C[NH3+] ZINC000884639402 673468762 /nfs/dbraw/zinc/46/87/62/673468762.db2.gz WZSWYNHWBDQZPT-HUUCEWRRSA-N 2 0 368.547 0.517 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000884682903 673472359 /nfs/dbraw/zinc/47/23/59/673472359.db2.gz ODXODRNVZWFMBQ-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000884716698 673476163 /nfs/dbraw/zinc/47/61/63/673476163.db2.gz GSHWCMDHSFVYLN-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000884728554 673478295 /nfs/dbraw/zinc/47/82/95/673478295.db2.gz ULDFGRBVUQNZEQ-XVSSEFHLSA-N 2 0 364.412 0.571 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971613 673494743 /nfs/dbraw/zinc/49/47/43/673494743.db2.gz DVEUQMOFXLPQLT-HNNXBMFYSA-N 2 0 356.511 0.355 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885009689 673497565 /nfs/dbraw/zinc/49/75/65/673497565.db2.gz BLLFXBVJARVIAF-BJWYYQGGSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H](C)C1 ZINC000885015203 673498474 /nfs/dbraw/zinc/49/84/74/673498474.db2.gz VTFRLQBDAKGRGI-NNXHMXCWSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000885194709 673507720 /nfs/dbraw/zinc/50/77/20/673507720.db2.gz BRFBISZKAOGPNV-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276508 673511307 /nfs/dbraw/zinc/51/13/07/673511307.db2.gz SRMPJESLPNYANX-BFHYXJOUSA-N 2 0 358.433 0.290 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885290088 673512844 /nfs/dbraw/zinc/51/28/44/673512844.db2.gz ALLXVSCBMMJANY-CQSZACIVSA-N 2 0 362.465 0.928 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885294728 673513697 /nfs/dbraw/zinc/51/36/97/673513697.db2.gz JZTOFUINPBUCPH-ZDUSSCGKSA-N 2 0 360.449 0.680 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000887061181 673617159 /nfs/dbraw/zinc/61/71/59/673617159.db2.gz MTPRFHTZIWGGGB-LSDHHAIUSA-N 2 0 352.479 0.038 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000887063023 673617174 /nfs/dbraw/zinc/61/71/74/673617174.db2.gz NBCZZANBYZDJNG-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@H]1CC[NH2+]C1 ZINC000887068082 673618466 /nfs/dbraw/zinc/61/84/66/673618466.db2.gz FJLWEBXTCBMWTE-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887078841 673620430 /nfs/dbraw/zinc/62/04/30/673620430.db2.gz FAVQAWBJHWNUMO-APWZRJJASA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887083249 673621029 /nfs/dbraw/zinc/62/10/29/673621029.db2.gz VFPNSNNILPHBSW-IBGZPJMESA-N 2 0 350.507 0.923 20 0 FCADRP C[NH+](C)CCN1CCC(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924465382 673753604 /nfs/dbraw/zinc/75/36/04/673753604.db2.gz SCYDCROSERKLEK-MRXNPFEDSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924949963 673770832 /nfs/dbraw/zinc/77/08/32/673770832.db2.gz MQXBKWMNCNVZQM-INIZCTEOSA-N 2 0 368.547 0.976 20 0 FCADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924958493 673771062 /nfs/dbraw/zinc/77/10/62/673771062.db2.gz LNSQTDMRZPDUNC-INIZCTEOSA-N 2 0 374.595 0.910 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967752 673771558 /nfs/dbraw/zinc/77/15/58/673771558.db2.gz YQUOUSYOVILKFD-GOEBONIOSA-N 2 0 374.551 0.224 20 0 FCADRP C[C@@H](C[NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000924966684 673771568 /nfs/dbraw/zinc/77/15/68/673771568.db2.gz TVOSMIDDQBJUFI-JKSUJKDBSA-N 2 0 356.511 0.848 20 0 FCADRP C[C@H]1[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354766 673788592 /nfs/dbraw/zinc/78/85/92/673788592.db2.gz LIQBSKDPKJCGME-GJZGRUSLSA-N 2 0 351.495 0.594 20 0 FCADRP C[C@H]1[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354768 673788927 /nfs/dbraw/zinc/78/89/27/673788927.db2.gz LIQBSKDPKJCGME-LSDHHAIUSA-N 2 0 351.495 0.594 20 0 FCADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925811421 673805072 /nfs/dbraw/zinc/80/50/72/673805072.db2.gz ILZHGOSIGOQTMI-OKZBNKHCSA-N 2 0 367.515 0.853 20 0 FCADRP CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000926443129 673831438 /nfs/dbraw/zinc/83/14/38/673831438.db2.gz NXILHFOXQLFRPY-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929189491 673942545 /nfs/dbraw/zinc/94/25/45/673942545.db2.gz QFOQSGKELIZGHX-KGLIPLIRSA-N 2 0 350.488 0.822 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011134997 675374313 /nfs/dbraw/zinc/37/43/13/675374313.db2.gz UIKJTIWROXKINJ-ZACQAIPSSA-N 2 0 350.507 0.870 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011208934 675377108 /nfs/dbraw/zinc/37/71/08/675377108.db2.gz VNMMXKCTMPPGPV-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC001011211783 675377451 /nfs/dbraw/zinc/37/74/51/675377451.db2.gz MEBPTLBALJEBTM-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001020174655 675436553 /nfs/dbraw/zinc/43/65/53/675436553.db2.gz KWMCJSKQDGENEL-OVYGPGRDSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707527 675469064 /nfs/dbraw/zinc/46/90/64/675469064.db2.gz DMMXMVMYNAKBJA-OAGGEKHMSA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001045440132 675653726 /nfs/dbraw/zinc/65/37/26/675653726.db2.gz HKAFYGREONYYNH-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CCO2)CC1 ZINC000900596261 675697922 /nfs/dbraw/zinc/69/79/22/675697922.db2.gz ACHOWJFMEYSGJZ-KURKYZTESA-N 2 0 350.507 0.478 20 0 FCADRP C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900802432 675717647 /nfs/dbraw/zinc/71/76/47/675717647.db2.gz FJEWKEJCHMBRQU-AQEOSJORSA-N 2 0 352.523 0.628 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000901134763 675762360 /nfs/dbraw/zinc/76/23/60/675762360.db2.gz NMBQKLAFWRMVHD-GOSISDBHSA-N 2 0 354.539 0.756 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000897493939 1192207107 /nfs/dbraw/zinc/20/71/07/1192207107.db2.gz JYCZIALPZZOPEV-IRXDYDNUSA-N 2 0 373.501 0.967 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001772503058 1167729133 /nfs/dbraw/zinc/72/91/33/1167729133.db2.gz PMUFSADORQZEOM-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092550 1168162951 /nfs/dbraw/zinc/16/29/51/1168162951.db2.gz HZDPXVNXWOLYEX-MSOLQXFVSA-N 2 0 360.502 0.952 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)[C@@H](c2ccccc2)C1 ZINC001167093901 1168177025 /nfs/dbraw/zinc/17/70/25/1168177025.db2.gz VUIBKBFUIWWMOD-MSOLQXFVSA-N 2 0 358.486 0.706 20 0 FCADRP C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(CC(=O)N2CCCCC2)C1 ZINC000969958191 1168235471 /nfs/dbraw/zinc/23/54/71/1168235471.db2.gz JNBUSRJXKGDEJL-HLLBOEOZSA-N 2 0 366.506 0.155 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001021242125 1168859441 /nfs/dbraw/zinc/85/94/41/1168859441.db2.gz SVQBRDVXLIILAO-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc3nsnc32)CC[N@@H+]1C ZINC001482731391 1192374909 /nfs/dbraw/zinc/37/49/09/1192374909.db2.gz UHMIEGBOIUYWEO-MRVWCRGKSA-N 2 0 363.487 0.598 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC001691042169 1169859419 /nfs/dbraw/zinc/85/94/19/1169859419.db2.gz FMGSSEUFAFDOIQ-FGTMMUONSA-N 2 0 358.486 0.658 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001021802680 1170076180 /nfs/dbraw/zinc/07/61/80/1170076180.db2.gz JFLNCZQJPATYFQ-CYGHRXIMSA-N 2 0 362.518 0.870 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365877 1170076438 /nfs/dbraw/zinc/07/64/38/1170076438.db2.gz QSWBPCZUQKSWKG-HNKHHVNMSA-N 2 0 363.462 0.047 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375077 1170159070 /nfs/dbraw/zinc/15/90/70/1170159070.db2.gz NBCKSQCANRCDNC-LJIZCISZSA-N 2 0 363.462 0.190 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001021941452 1170328435 /nfs/dbraw/zinc/32/84/35/1170328435.db2.gz MDQUTTWXYAGPMC-WDYCEAGBSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941675 1170329937 /nfs/dbraw/zinc/32/99/37/1170329937.db2.gz QJTSVBKIJRKAFM-XYJFISCASA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891397895 1170345345 /nfs/dbraw/zinc/34/53/45/1170345345.db2.gz XIVJCKNEALBQRE-JONQDZQNSA-N 2 0 365.478 0.437 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC001022035371 1170444917 /nfs/dbraw/zinc/44/49/17/1170444917.db2.gz KNUMSHOCBNNIPL-RCCFBDPRSA-N 2 0 364.534 0.974 20 0 FCADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022098615 1170639675 /nfs/dbraw/zinc/63/96/75/1170639675.db2.gz NOKIOUNBIUJWJF-ALYAQQCSSA-N 2 0 366.506 0.234 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001691143727 1170840439 /nfs/dbraw/zinc/84/04/39/1170840439.db2.gz XARXQGIDSNPFHO-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691223632 1170865801 /nfs/dbraw/zinc/86/58/01/1170865801.db2.gz MJUAVDNMRMNNPD-RRFJBIMHSA-N 2 0 367.494 0.189 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001691263173 1170976836 /nfs/dbraw/zinc/97/68/36/1170976836.db2.gz HJEPJMWRTZPAEN-RRFJBIMHSA-N 2 0 361.494 0.724 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001691268341 1171003188 /nfs/dbraw/zinc/00/31/88/1171003188.db2.gz LBJSJLWSBFJLHB-HRCADAONSA-N 2 0 364.494 0.158 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691268612 1171003309 /nfs/dbraw/zinc/00/33/09/1171003309.db2.gz WEORENNTPZZQID-YESZJQIVSA-N 2 0 368.522 0.354 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001022423746 1171053073 /nfs/dbraw/zinc/05/30/73/1171053073.db2.gz IXNYTTYQVJOABV-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691320278 1171084890 /nfs/dbraw/zinc/08/48/90/1171084890.db2.gz KPTAPCFXFSEHFB-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C[NH2+]CCCOC ZINC001691335856 1171139718 /nfs/dbraw/zinc/13/97/18/1171139718.db2.gz YCUFZDXIKGEWKX-LMMKCTJWSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)Nc2nncs2)C1 ZINC001691370471 1171222283 /nfs/dbraw/zinc/22/22/83/1171222283.db2.gz RVQSNWRTJRABIL-OLZOCXBDSA-N 2 0 368.507 0.645 20 0 FCADRP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CCC[NH2+][C@@H]1CCNC1=O ZINC001691411405 1171284549 /nfs/dbraw/zinc/28/45/49/1171284549.db2.gz LNBBRXSQARYRFR-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970516 1171360763 /nfs/dbraw/zinc/36/07/63/1171360763.db2.gz LOUZZPDLLXPJPX-KRWDZBQOSA-N 2 0 359.474 0.300 20 0 FCADRP [NH3+][C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000892030092 1171493442 /nfs/dbraw/zinc/49/34/42/1171493442.db2.gz BMNSRUCRNSXLOI-JJXSEGSLSA-N 2 0 359.430 0.263 20 0 FCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000892041986 1171512367 /nfs/dbraw/zinc/51/23/67/1171512367.db2.gz MDNZJKSRDRQYDW-YYQUZTFQSA-N 2 0 373.457 0.783 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892189123 1171710508 /nfs/dbraw/zinc/71/05/08/1171710508.db2.gz RHCVHDGMPZQTLT-PEHJNBARSA-N 2 0 365.478 0.436 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC001022722304 1171814605 /nfs/dbraw/zinc/81/46/05/1171814605.db2.gz ZOGBTRDTLGFXIS-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237736 1171876608 /nfs/dbraw/zinc/87/66/08/1171876608.db2.gz RBLIFAHDZZGWFL-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249432 1172022124 /nfs/dbraw/zinc/02/21/24/1172022124.db2.gz FAORSWHGNPCUEU-ZGUYJTEBSA-N 2 0 363.502 0.809 20 0 FCADRP O=C(N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249681 1172022722 /nfs/dbraw/zinc/02/27/22/1172022722.db2.gz REAOAUVHRMYOCD-FGTMMUONSA-N 2 0 363.502 0.953 20 0 FCADRP COCCOCN1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=[NH2+])cc3)[C@@H]2C1 ZINC001272134087 1192560532 /nfs/dbraw/zinc/56/05/32/1192560532.db2.gz DPBTVSNCLOFGND-GOEBONIOSA-N 2 0 361.446 0.759 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000988949580 1192585567 /nfs/dbraw/zinc/58/55/67/1192585567.db2.gz ZHAFODJENOAWBW-COXVUDFISA-N 2 0 371.441 0.384 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3cncn3C)[C@H]2C)CC[N@@H+]1C ZINC000989051022 1192659118 /nfs/dbraw/zinc/65/91/18/1192659118.db2.gz CIZHNUWBCSBMRT-BSWAZPDLSA-N 2 0 361.490 0.799 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC000989066979 1192670664 /nfs/dbraw/zinc/67/06/64/1192670664.db2.gz RNSRHKKWDSXGML-ZBFHGGJFSA-N 2 0 359.474 0.963 20 0 FCADRP COc1cc(CN2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872334 /nfs/dbraw/zinc/87/23/34/1192872334.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 0 374.485 0.842 20 0 FCADRP C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087231189 1178851994 /nfs/dbraw/zinc/85/19/94/1178851994.db2.gz ISCBMXJJNRNWRP-VYDXJSESSA-N 2 0 366.506 0.202 20 0 FCADRP CCN1CC[NH+](CCCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478530 1179163108 /nfs/dbraw/zinc/16/31/08/1179163108.db2.gz UHQYTFZSPCEHMI-QGZVFWFLSA-N 2 0 365.522 0.810 20 0 FCADRP CN1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+](C)CC1 ZINC000888991330 1179275310 /nfs/dbraw/zinc/27/53/10/1179275310.db2.gz YOAOWKFTUDHJJJ-FQEVSTJZSA-N 2 0 360.502 0.329 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001067487773 1179288993 /nfs/dbraw/zinc/28/89/93/1179288993.db2.gz WVHRZVWYWVFRBP-NXHRZFHOSA-N 2 0 364.534 0.975 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493462 1179434951 /nfs/dbraw/zinc/43/49/51/1179434951.db2.gz ZFTLOTLUEVJGAF-IAGOWNOFSA-N 2 0 365.522 0.666 20 0 FCADRP CCn1nncc1CN1CCC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023451570 1179758889 /nfs/dbraw/zinc/75/88/89/1179758889.db2.gz QNTNYOJFTQWYBE-BFYDXBDKSA-N 2 0 364.494 0.345 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001023706038 1180128885 /nfs/dbraw/zinc/12/88/85/1180128885.db2.gz HJDVTJQUWNMUDK-IXDOHACOSA-N 2 0 366.506 0.031 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1-c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001167677474 1180214994 /nfs/dbraw/zinc/21/49/94/1180214994.db2.gz RGFPKLSKHWXZSZ-UHFFFAOYSA-N 2 0 355.446 0.992 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[nH]2)CC[N@@H+]1C ZINC001087257524 1180336939 /nfs/dbraw/zinc/33/69/39/1180336939.db2.gz XHNOSHGLVXHYFT-UMVBOHGHSA-N 2 0 363.462 0.265 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001023843563 1180390816 /nfs/dbraw/zinc/39/08/16/1180390816.db2.gz OSDGNXXAWYNXKH-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001112518383 1180836765 /nfs/dbraw/zinc/83/67/65/1180836765.db2.gz GSQDANUWHMQANP-YRNRMSPPSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024136659 1180864642 /nfs/dbraw/zinc/86/46/42/1180864642.db2.gz UKZCPPXEKQUIRH-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP CCCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC(=O)N(C)C1=O ZINC000548926096 1181338540 /nfs/dbraw/zinc/33/85/40/1181338540.db2.gz URRGNJIDIDQZCQ-IRXDYDNUSA-N 2 0 374.485 0.875 20 0 FCADRP Cc1nnc([C@@H](C)N2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111939735 1181546163 /nfs/dbraw/zinc/54/61/63/1181546163.db2.gz PKYBISPLNYSEGZ-XUWXXGDYSA-N 2 0 365.478 0.988 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892529110 1181743612 /nfs/dbraw/zinc/74/36/12/1181743612.db2.gz SYGXEYTUQFKHTD-UHFFFAOYSA-N 2 0 357.462 0.963 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]21 ZINC001083275583 1181852055 /nfs/dbraw/zinc/85/20/55/1181852055.db2.gz MFPJBRMMFOYSDM-IPMKNSEASA-N 2 0 365.518 0.935 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC1 ZINC000972991809 1181855643 /nfs/dbraw/zinc/85/56/43/1181855643.db2.gz CASNXZVOTIEZEB-IAGOWNOFSA-N 2 0 360.502 0.483 20 0 FCADRP O=C(Cn1ccnc1)N1C[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000972994531 1181865380 /nfs/dbraw/zinc/86/53/80/1181865380.db2.gz LYIFXHWDGKAOLW-IAGOWNOFSA-N 2 0 371.485 0.818 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001267572711 1181876250 /nfs/dbraw/zinc/87/62/50/1181876250.db2.gz UMXNYOIDIJZJLL-GUDVDZBRSA-N 2 0 366.550 0.829 20 0 FCADRP CN1CCN(c2ncc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cn2)CC1 ZINC000134288139 1181942090 /nfs/dbraw/zinc/94/20/90/1181942090.db2.gz ZHXCZNKPEQPCQL-UHFFFAOYSA-N 2 0 361.538 0.346 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104595675 1182259090 /nfs/dbraw/zinc/25/90/90/1182259090.db2.gz YCRCLGJGHUTVJO-HZPDHXFCSA-N 2 0 365.522 0.428 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600024 1182268251 /nfs/dbraw/zinc/26/82/51/1182268251.db2.gz PXXWLZXKEIHXCR-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000892920575 1182578139 /nfs/dbraw/zinc/57/81/39/1182578139.db2.gz XEHIIXLHDCTMEX-UHFFFAOYSA-N 2 0 365.522 0.809 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC[N@@H+]1C ZINC001025795213 1182847273 /nfs/dbraw/zinc/84/72/73/1182847273.db2.gz YKLZTHQPZNSWKB-VVHNNWHFSA-N 2 0 358.490 0.542 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000893049998 1182869316 /nfs/dbraw/zinc/86/93/16/1182869316.db2.gz GRQZAOBADBYPML-AEFFLSMTSA-N 2 0 370.538 0.879 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104811629 1182933687 /nfs/dbraw/zinc/93/36/87/1182933687.db2.gz FGFVAYRKQLIIRX-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001104927889 1183003266 /nfs/dbraw/zinc/00/32/66/1183003266.db2.gz ZCZSXXJMPQFKHA-RBSFLKMASA-N 2 0 369.510 0.376 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974220440 1183059112 /nfs/dbraw/zinc/05/91/12/1183059112.db2.gz GUVRTBOOEUTQBB-NQNKBUKLSA-N 2 0 366.506 0.343 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)CC1CC1 ZINC001105007546 1183065299 /nfs/dbraw/zinc/06/52/99/1183065299.db2.gz BMXWYVJXIMJOJN-NXHRZFHOSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001105008100 1183067099 /nfs/dbraw/zinc/06/70/99/1183067099.db2.gz PZGGBEJNHQZPQL-NXHRZFHOSA-N 2 0 364.534 0.929 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000974315205 1183103773 /nfs/dbraw/zinc/10/37/73/1183103773.db2.gz VYKRNGWKXVHFSF-LXTVHRRPSA-N 2 0 356.430 0.492 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]CCc3ccnn3C)CC2)O1 ZINC001026514405 1183145471 /nfs/dbraw/zinc/14/54/71/1183145471.db2.gz DCAPYOBNQDCRLZ-YHOLWWCESA-N 2 0 363.506 0.699 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974585460 1183364827 /nfs/dbraw/zinc/36/48/27/1183364827.db2.gz YXIRSLPBHZNUCA-GVDBMIGSSA-N 2 0 360.502 0.483 20 0 FCADRP Cn1cncc1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974587310 1183365748 /nfs/dbraw/zinc/36/57/48/1183365748.db2.gz YYZBIOGBZDOGOH-ZMSDIMECSA-N 2 0 359.474 0.364 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC000975203926 1183767324 /nfs/dbraw/zinc/76/73/24/1183767324.db2.gz OVQJLVYINPYHMD-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000975414808 1183860179 /nfs/dbraw/zinc/86/01/79/1183860179.db2.gz RASSOKMHOMCBOY-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)C1 ZINC000975821956 1185819050 /nfs/dbraw/zinc/81/90/50/1185819050.db2.gz OPCVMPYPPCWNJO-BBWFWOEESA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)C1 ZINC000975821958 1185819115 /nfs/dbraw/zinc/81/91/15/1185819115.db2.gz OPCVMPYPPCWNJO-ULQDDVLXSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000978845365 1186013335 /nfs/dbraw/zinc/01/33/35/1186013335.db2.gz HQSDSZNWCHNOPK-AGTSVGGPSA-N 2 0 362.518 0.679 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529558 1186079209 /nfs/dbraw/zinc/07/92/09/1186079209.db2.gz FTBHGHSFLTZBRC-ZOCIIQOWSA-N 2 0 368.497 0.903 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112529487 1186083728 /nfs/dbraw/zinc/08/37/28/1186083728.db2.gz BFROENWTPUOGSS-ZWOKBUDYSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112529713 1186089003 /nfs/dbraw/zinc/08/90/03/1186089003.db2.gz LRQYNFXSLCWYQP-GUXCAODWSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112529962 1186093711 /nfs/dbraw/zinc/09/37/11/1186093711.db2.gz XNEYUXZBVPISRE-AOIWGVFYSA-N 2 0 360.506 0.838 20 0 FCADRP COc1cc(CN2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)ccn1 ZINC001027966395 1186240882 /nfs/dbraw/zinc/24/08/82/1186240882.db2.gz OSBFLTJAOVLZGV-HYVNUMGLSA-N 2 0 362.474 0.890 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211722644 1187470156 /nfs/dbraw/zinc/47/01/56/1187470156.db2.gz JGYCYKSSQMLGNA-CEXWTWQISA-N 2 0 361.486 0.674 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000893742062 1187513356 /nfs/dbraw/zinc/51/33/56/1187513356.db2.gz ZVNGOOQPWPXAST-MSOLQXFVSA-N 2 0 368.522 0.510 20 0 FCADRP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)N1CCOCC1 ZINC000332705593 1187536531 /nfs/dbraw/zinc/53/65/31/1187536531.db2.gz VQQYXDVAGFWIKI-ZACQAIPSSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+][C@H]3CCCN(C)C3=O)CCCC2)CC[N@@H+]1C ZINC001481897282 1187546441 /nfs/dbraw/zinc/54/64/41/1187546441.db2.gz UUOVENZBVDUMEC-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP COc1cc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)ccn1 ZINC001075645008 1187583385 /nfs/dbraw/zinc/58/33/85/1187583385.db2.gz KYSSYEDVEQOQAO-BBWFWOEESA-N 2 0 360.458 0.454 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001028552134 1187604455 /nfs/dbraw/zinc/60/44/55/1187604455.db2.gz HPTKKSBQKDKYPM-HRCADAONSA-N 2 0 366.485 0.916 20 0 FCADRP Cc1cc(C[N@H+]2CCC3(C2)CCN(C(=O)CN(C)C(N)=[NH2+])CC3)n(C)n1 ZINC001269992294 1187961282 /nfs/dbraw/zinc/96/12/82/1187961282.db2.gz FTCWBKLPBHCVLY-UHFFFAOYSA-N 2 0 361.494 0.368 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270061762 1187985919 /nfs/dbraw/zinc/98/59/19/1187985919.db2.gz ROHLPFUERVNLLD-INIZCTEOSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)C2CC[NH+](C)CC2)C3)CC1 ZINC001270101717 1188009623 /nfs/dbraw/zinc/00/96/23/1188009623.db2.gz HBIYKPSMMSXBDX-QGZVFWFLSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C[N@H+](C)C3CCCC3)C2)OCC1=O ZINC001270165636 1188036867 /nfs/dbraw/zinc/03/68/67/1188036867.db2.gz KBXUMHBAQWJIRZ-LJQANCHMSA-N 2 0 366.506 0.252 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CCn2ccnc2)C3=O)C1 ZINC001270332493 1188099992 /nfs/dbraw/zinc/09/99/92/1188099992.db2.gz KIGYLVLBAFLVSN-LPHOPBHVSA-N 2 0 359.474 0.818 20 0 FCADRP Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332499 1188100011 /nfs/dbraw/zinc/10/00/11/1188100011.db2.gz KJIXZUCRVARAIG-DNVCBOLYSA-N 2 0 359.474 0.713 20 0 FCADRP C[C@@H](C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)[NH+]1CCCC1 ZINC001270491792 1188172635 /nfs/dbraw/zinc/17/26/35/1188172635.db2.gz YHYCXQFAISALHV-LPHOPBHVSA-N 2 0 366.506 0.110 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550035106 1188214652 /nfs/dbraw/zinc/21/46/52/1188214652.db2.gz RLGREBCLRLWNBB-GOSISDBHSA-N 2 0 360.502 0.830 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550093445 1188223398 /nfs/dbraw/zinc/22/33/98/1188223398.db2.gz FHORMSGCPZIDLH-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601906 1188235343 /nfs/dbraw/zinc/23/53/43/1188235343.db2.gz NMAQPWMMYZRUQI-IRXDYDNUSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC000983704530 1188276872 /nfs/dbraw/zinc/27/68/72/1188276872.db2.gz KCTYMIVMACUKPV-AAVRWANBSA-N 2 0 370.448 0.868 20 0 FCADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167991390 1188341549 /nfs/dbraw/zinc/34/15/49/1188341549.db2.gz AFKPDXWXSDJWOI-NHJHPMQKSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC001029313644 1189374334 /nfs/dbraw/zinc/37/43/34/1189374334.db2.gz IXAFJNNSDZAZOY-HSFUPAIVSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000550455597 1189491631 /nfs/dbraw/zinc/49/16/31/1189491631.db2.gz ARCUCOPEBGOWKT-DJIMGWMZSA-N 2 0 366.506 0.058 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCN1CCNC1=O ZINC001087640433 1189697584 /nfs/dbraw/zinc/69/75/84/1189697584.db2.gz CMUVWJHCIAJOMN-JKSUJKDBSA-N 2 0 363.506 0.609 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000550493266 1189703782 /nfs/dbraw/zinc/70/37/82/1189703782.db2.gz BRDBMXXBIVVWSV-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP CCN1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550518747 1189810414 /nfs/dbraw/zinc/81/04/14/1189810414.db2.gz IIVPLWJCZVWMFN-JKSUJKDBSA-N 2 0 367.538 0.070 20 0 FCADRP CCN1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550518746 1189810679 /nfs/dbraw/zinc/81/06/79/1189810679.db2.gz IIVPLWJCZVWMFN-HZPDHXFCSA-N 2 0 367.538 0.070 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001087799180 1189828648 /nfs/dbraw/zinc/82/86/48/1189828648.db2.gz HGYCZJOLPJOAJJ-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001087829499 1189842500 /nfs/dbraw/zinc/84/25/00/1189842500.db2.gz GOVHNHUZMNOOBE-YESZJQIVSA-N 2 0 366.506 0.035 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895463698 1189859327 /nfs/dbraw/zinc/85/93/27/1189859327.db2.gz ANESIKBLOAQPNC-RBUKOAKNSA-N 2 0 359.470 0.724 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087908616 1189893999 /nfs/dbraw/zinc/89/39/99/1189893999.db2.gz IDDWOGQYJYSUJI-VYDXJSESSA-N 2 0 359.474 0.860 20 0 FCADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967253 1190024151 /nfs/dbraw/zinc/02/41/51/1190024151.db2.gz PKGFLWMEKDZBIL-IKGGRYGDSA-N 2 0 362.518 0.907 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467452 1190062523 /nfs/dbraw/zinc/06/25/23/1190062523.db2.gz DGOIWCWVXOQYBR-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP Cn1cnnc1CN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026321 1190260157 /nfs/dbraw/zinc/26/01/57/1190260157.db2.gz CROBGBSVAUWODZ-CVEARBPZSA-N 2 0 358.490 0.724 20 0 FCADRP CCn1nncc1CN1CC[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2C1 ZINC001088058948 1190325208 /nfs/dbraw/zinc/32/52/08/1190325208.db2.gz AWBVDRPFFBSBHI-CVEARBPZSA-N 2 0 357.462 0.865 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088106372 1190589056 /nfs/dbraw/zinc/58/90/56/1190589056.db2.gz XWJZBKRBHUYRJL-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088150677 1190673701 /nfs/dbraw/zinc/67/37/01/1190673701.db2.gz QKLXOZPNCKHXOJ-MSOLQXFVSA-N 2 0 360.506 0.790 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1(C)C ZINC000262765886 1190926265 /nfs/dbraw/zinc/92/62/65/1190926265.db2.gz FYVNKYHMZMYGDD-HNAYVOBHSA-N 2 0 368.522 0.532 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)C1 ZINC000986418482 1190983452 /nfs/dbraw/zinc/98/34/52/1190983452.db2.gz LYAZBEHYQSWWSD-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425237 1190987083 /nfs/dbraw/zinc/98/70/83/1190987083.db2.gz OVIOXJGAQAAITL-IKGGRYGDSA-N 2 0 360.502 0.483 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000760170661 1191042766 /nfs/dbraw/zinc/04/27/66/1191042766.db2.gz LYFXABZIGKUPHR-KRWDZBQOSA-N 2 0 368.522 0.728 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988190162 1191157618 /nfs/dbraw/zinc/15/76/18/1191157618.db2.gz LVIQZYORHBYKJA-JLSDUUJJSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1)C(N)=O ZINC001218035363 1224136477 /nfs/dbraw/zinc/13/64/77/1224136477.db2.gz BUXARTWRMQXMDF-IKGGRYGDSA-N 2 0 362.474 0.313 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1CC2(C1)CC[NH2+]CC2 ZINC001218103752 1224140831 /nfs/dbraw/zinc/14/08/31/1224140831.db2.gz UJGBTGTXIKNANE-UHFFFAOYSA-N 2 0 364.446 0.672 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cncn4C3)[C@H]2C1 ZINC001218195677 1224146513 /nfs/dbraw/zinc/14/65/13/1224146513.db2.gz INQIWLHPURDQCP-BPQIPLTHSA-N 2 0 362.474 0.782 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4cncc4C3)[C@H]2C1 ZINC001218181625 1224145972 /nfs/dbraw/zinc/14/59/72/1224145972.db2.gz WHVRAADPMUYSMX-RYQLBKOJSA-N 2 0 362.474 0.784 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1CC[NH+](C2CC2)CC1 ZINC001218289081 1224151915 /nfs/dbraw/zinc/15/19/15/1224151915.db2.gz GKNPKKJFEIMHHI-UHFFFAOYSA-N 2 0 364.446 0.766 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000550653258 1193724959 /nfs/dbraw/zinc/72/49/59/1193724959.db2.gz IJEBJBJVQURMOT-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218488623 1224163396 /nfs/dbraw/zinc/16/33/96/1224163396.db2.gz YRLDSLPEORMTKF-ZDUSSCGKSA-N 2 0 372.425 0.984 20 0 FCADRP O=C(NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001691589617 1193757483 /nfs/dbraw/zinc/75/74/83/1193757483.db2.gz WXQHZJQFGLYETC-BMGDILEWSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550780619 1193787184 /nfs/dbraw/zinc/78/71/84/1193787184.db2.gz IMSXQCPJLSLUFM-IRXDYDNUSA-N 2 0 367.538 0.119 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691598796 1193787663 /nfs/dbraw/zinc/78/76/63/1193787663.db2.gz FTPHUQLPZZBYMF-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691598798 1193787738 /nfs/dbraw/zinc/78/77/38/1193787738.db2.gz FUAUVHMVNILGTK-OWCLPIDISA-N 2 0 350.507 0.871 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000550784392 1193792155 /nfs/dbraw/zinc/79/21/55/1193792155.db2.gz UWSNSVMBRKCTIB-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP CCOC(=O)c1ncn2c1cccc2NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218534853 1224168323 /nfs/dbraw/zinc/16/83/23/1224168323.db2.gz YIUAGNFYYJOJEW-CYBMUJFWSA-N 2 0 374.445 0.200 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550899672 1193818943 /nfs/dbraw/zinc/81/89/43/1193818943.db2.gz XOYQRVLJFVHTNA-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551075172 1193831964 /nfs/dbraw/zinc/83/19/64/1193831964.db2.gz SUBSCOMCCXZZKV-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000551173304 1193837228 /nfs/dbraw/zinc/83/72/28/1193837228.db2.gz VZAFPQVEOJYGHH-UHFFFAOYSA-N 2 0 367.538 0.075 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636734 1193843439 /nfs/dbraw/zinc/84/34/39/1193843439.db2.gz CFLDHIJPSFUMDF-MTNOOBJLSA-N 2 0 367.534 0.819 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105641469 1193844965 /nfs/dbraw/zinc/84/49/65/1193844965.db2.gz BNWBHNABLJAJDX-NPNMTCQASA-N 2 0 368.522 0.168 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ncnc2[nH]ccc21 ZINC001218558997 1224173213 /nfs/dbraw/zinc/17/32/13/1224173213.db2.gz JLADWZBANMBJLP-STQMWFEESA-N 2 0 359.434 0.344 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2O)n1 ZINC001083469379 1193864098 /nfs/dbraw/zinc/86/40/98/1193864098.db2.gz QOKWYLFZSOMCID-MSOLQXFVSA-N 2 0 361.490 0.720 20 0 FCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5cncc5C4)[C@@H]3C2)cn1 ZINC001075961476 1193883854 /nfs/dbraw/zinc/88/38/54/1193883854.db2.gz PLZLNOHYDNEHRC-SOLBZPMBSA-N 2 0 354.458 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCOc3ccc(F)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472342 1193899982 /nfs/dbraw/zinc/89/99/82/1193899982.db2.gz SBBMQIUANBXBOE-PILAGYSTSA-N 2 0 365.449 0.706 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000553094137 1193971400 /nfs/dbraw/zinc/97/14/00/1193971400.db2.gz VBJMKWNCJMVABL-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553685652 1194015423 /nfs/dbraw/zinc/01/54/23/1194015423.db2.gz ZGVXYDXFJJFJHG-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641409 1224187934 /nfs/dbraw/zinc/18/79/34/1224187934.db2.gz RGTCXABVJQXAIY-INIZCTEOSA-N 2 0 354.458 0.830 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640853 1224188041 /nfs/dbraw/zinc/18/80/41/1224188041.db2.gz MMQWMCZTZGAEQD-MRXNPFEDSA-N 2 0 352.398 0.529 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000898594619 1194049000 /nfs/dbraw/zinc/04/90/00/1194049000.db2.gz PVPHBEPXNNGTQJ-INIZCTEOSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000842191481 1194086437 /nfs/dbraw/zinc/08/64/37/1194086437.db2.gz YDKZWHMXYQKBMD-PXNSSMCTSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000842232062 1194106718 /nfs/dbraw/zinc/10/67/18/1194106718.db2.gz VZFVCYNGWPTPGO-GOSISDBHSA-N 2 0 358.486 0.891 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000842267280 1194143933 /nfs/dbraw/zinc/14/39/33/1194143933.db2.gz WFNJSWSRPCUFIM-SJLPKXTDSA-N 2 0 360.502 0.876 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083522969 1194144214 /nfs/dbraw/zinc/14/42/14/1194144214.db2.gz GFGTVILLFWBFHM-QRVBRYPASA-N 2 0 365.518 0.981 20 0 FCADRP Nc1cccnc1N(C(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC001218694656 1224197053 /nfs/dbraw/zinc/19/70/53/1224197053.db2.gz CCBWUDFUJMXENH-UNEWFSDZSA-N 2 0 359.474 0.763 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C1 ZINC001218696093 1224198413 /nfs/dbraw/zinc/19/84/13/1224198413.db2.gz MWMBSJHWTDALAD-INIZCTEOSA-N 2 0 360.506 0.821 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2)C1CC[NH2+]CC1 ZINC001218695056 1224198512 /nfs/dbraw/zinc/19/85/12/1224198512.db2.gz KIMKBKOLLFWGCS-KUHUBIRLSA-N 2 0 359.474 0.908 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)C[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)cn2)CC1 ZINC001218725551 1224205665 /nfs/dbraw/zinc/20/56/65/1224205665.db2.gz XGAOUVWXPIJDLG-XYPHTWIQSA-N 2 0 359.474 0.962 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)c1csc(N2CC[NH2+]CC2)n1 ZINC001218731280 1224207433 /nfs/dbraw/zinc/20/74/33/1224207433.db2.gz KZESTPKDMPCBQB-CYBMUJFWSA-N 2 0 374.470 0.941 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)c1cccnc1N1CC[NH2+]CC1 ZINC001218731613 1224207558 /nfs/dbraw/zinc/20/75/58/1224207558.db2.gz QZKBBMMDJKZCOT-OAHLLOKOSA-N 2 0 368.441 0.879 20 0 FCADRP O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218744211 1224210280 /nfs/dbraw/zinc/21/02/80/1224210280.db2.gz AMTBVJGZHWJVGV-AUUYWEPGSA-N 2 0 370.457 0.761 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001076203878 1194352384 /nfs/dbraw/zinc/35/23/84/1194352384.db2.gz HRTCWRJOHRNOTR-OKZBNKHCSA-N 2 0 361.490 0.119 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3ncccn3)C2=O)C1 ZINC001276794848 1224213775 /nfs/dbraw/zinc/21/37/75/1224213775.db2.gz BYGPUPAVKGTCGP-BEFAXECRSA-N 2 0 361.490 0.650 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076365785 1194420708 /nfs/dbraw/zinc/42/07/08/1194420708.db2.gz NFXFUJUEZAQTCT-RCCFBDPRSA-N 2 0 356.470 0.783 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076365784 1194421064 /nfs/dbraw/zinc/42/10/64/1194421064.db2.gz NFXFUJUEZAQTCT-OKZBNKHCSA-N 2 0 356.470 0.783 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CN(Cc3cccc(OC)n3)C[C@@H]21 ZINC001218802718 1224226975 /nfs/dbraw/zinc/22/69/75/1224226975.db2.gz CIAILPUJSOCHJS-DLBZAZTESA-N 2 0 362.474 0.844 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)cc2)CC1 ZINC001218845630 1224238800 /nfs/dbraw/zinc/23/88/00/1224238800.db2.gz FWUWEOOQDSPING-PXNSSMCTSA-N 2 0 357.502 0.714 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cc2)CC1 ZINC001218845847 1224239054 /nfs/dbraw/zinc/23/90/54/1224239054.db2.gz KORKGUBXOVPTSN-GOSISDBHSA-N 2 0 373.501 0.093 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)cc1 ZINC001218855207 1224240729 /nfs/dbraw/zinc/24/07/29/1224240729.db2.gz GNNDMRLVNPBYLR-OXJNMPFZSA-N 2 0 373.501 0.648 20 0 FCADRP O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218874205 1224243610 /nfs/dbraw/zinc/24/36/10/1224243610.db2.gz VIRXZCKIZSCUGZ-MRXNPFEDSA-N 2 0 357.458 0.436 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872905 1224243747 /nfs/dbraw/zinc/24/37/47/1224243747.db2.gz CKUTXRUDJWIBGJ-SFHVURJKSA-N 3 0 363.506 0.456 20 0 FCADRP C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001218882377 1224247778 /nfs/dbraw/zinc/24/77/78/1224247778.db2.gz RDJJUJSGLNDUAM-OAHLLOKOSA-N 2 0 359.474 0.354 20 0 FCADRP COC(=O)Cc1c(F)ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1F ZINC001218929322 1224261845 /nfs/dbraw/zinc/26/18/45/1224261845.db2.gz PBXYWNVDRODAJW-CYBMUJFWSA-N 2 0 370.400 0.369 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CCC1 ZINC001083563562 1195222585 /nfs/dbraw/zinc/22/25/85/1195222585.db2.gz VQHBGJRGJRUZOQ-SQNIBIBYSA-N 2 0 365.518 0.839 20 0 FCADRP COc1cc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(C(N)=O)cc1OC ZINC001218968455 1224275256 /nfs/dbraw/zinc/27/52/56/1224275256.db2.gz HHUFMBIWLIKBSC-GFCCVEGCSA-N 2 0 362.430 0.615 20 0 FCADRP COC(=O)C1(c2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc2)CC1 ZINC001218976226 1224276283 /nfs/dbraw/zinc/27/62/83/1224276283.db2.gz WQPYQFYHAOBWNF-INIZCTEOSA-N 2 0 360.458 0.580 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276167 1195376689 /nfs/dbraw/zinc/37/66/89/1195376689.db2.gz PCDHRUBKSRJJIF-KBAYOESNSA-N 2 0 358.442 0.987 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077309054 1195410617 /nfs/dbraw/zinc/41/06/17/1195410617.db2.gz YUYPILWKEOADCP-GVDBMIGSSA-N 2 0 358.442 0.924 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219004309 1224283839 /nfs/dbraw/zinc/28/38/39/1224283839.db2.gz FSXNDIZVMAAQBQ-IXDOHACOSA-N 2 0 366.506 0.251 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]21 ZINC001219004290 1224284250 /nfs/dbraw/zinc/28/42/50/1224284250.db2.gz FHXQMCALSKLPHC-ZWKOTPCHSA-N 2 0 363.506 0.606 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)cc2C1 ZINC000904509197 1195540586 /nfs/dbraw/zinc/54/05/86/1195540586.db2.gz DORPBMVIYTWPEA-ZTFGCOKTSA-N 2 0 359.474 0.961 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905046418 1195571810 /nfs/dbraw/zinc/57/18/10/1195571810.db2.gz ADFOGQMGVZSYQZ-WOJBJXKFSA-N 2 0 363.502 0.426 20 0 FCADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)c2ccccc2)CC1 ZINC000905088843 1195573801 /nfs/dbraw/zinc/57/38/01/1195573801.db2.gz KYGPZIFWXOYCEO-SLFFLAALSA-N 2 0 363.502 0.467 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000906213553 1195616853 /nfs/dbraw/zinc/61/68/53/1195616853.db2.gz JCIQBEDJBPEFGG-UHFFFAOYSA-N 2 0 369.473 0.747 20 0 FCADRP COC(=O)CCN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@@H](C)C1 ZINC000906219237 1195617652 /nfs/dbraw/zinc/61/76/52/1195617652.db2.gz QZAQXCQMRYCUOW-HNNXBMFYSA-N 2 0 363.462 0.058 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221658 1195617915 /nfs/dbraw/zinc/61/79/15/1195617915.db2.gz XHLBEBHTUTZNGV-IAGOWNOFSA-N 2 0 361.490 0.721 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000906668465 1195643462 /nfs/dbraw/zinc/64/34/62/1195643462.db2.gz CFMNPAZFAYSGRA-OAHLLOKOSA-N 2 0 360.458 0.655 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000906658650 1195646387 /nfs/dbraw/zinc/64/63/87/1195646387.db2.gz MCUDUZPZFWLDNK-YJBOKZPZSA-N 2 0 373.501 0.568 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000906853029 1195668792 /nfs/dbraw/zinc/66/87/92/1195668792.db2.gz QTCJVWRHJDVWLK-HXUWFJFHSA-N 2 0 360.502 0.233 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000907160168 1195681839 /nfs/dbraw/zinc/68/18/39/1195681839.db2.gz UUZQRRXXQWJOHM-UHFFFAOYSA-N 2 0 365.566 0.497 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000907290151 1195688690 /nfs/dbraw/zinc/68/86/90/1195688690.db2.gz AWTIRYPZICMDQK-SFHVURJKSA-N 2 0 371.485 0.941 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907555876 1195700775 /nfs/dbraw/zinc/70/07/75/1195700775.db2.gz ZEUMTJWDYJGXQT-MISYRCLQSA-N 2 0 361.486 0.537 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236561 1195734706 /nfs/dbraw/zinc/73/47/06/1195734706.db2.gz GRZZMQABBWJWEV-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236564 1195735443 /nfs/dbraw/zinc/73/54/43/1195735443.db2.gz GRZZMQABBWJWEV-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000908613074 1195757534 /nfs/dbraw/zinc/75/75/34/1195757534.db2.gz SHPIHQZJKBPHRH-MRXNPFEDSA-N 2 0 369.506 0.613 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630764 1195802640 /nfs/dbraw/zinc/80/26/40/1195802640.db2.gz MMVTZMGDXXEZQB-QGTPRVQTSA-N 2 0 371.441 0.469 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000910831636 1195851118 /nfs/dbraw/zinc/85/11/18/1195851118.db2.gz YBTLMTWBDTYDMS-SJLPKXTDSA-N 2 0 369.469 0.591 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000910832271 1195851474 /nfs/dbraw/zinc/85/14/74/1195851474.db2.gz MAPXDAQUZUGLMV-WMZOPIPTSA-N 2 0 371.485 0.815 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[NH+]2CCCC2)c1 ZINC000910962833 1195869382 /nfs/dbraw/zinc/86/93/82/1195869382.db2.gz GQILYXFMKHEJFY-MRXNPFEDSA-N 2 0 360.458 0.556 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000910991509 1195874176 /nfs/dbraw/zinc/87/41/76/1195874176.db2.gz GXZGVZNRQVRCAE-KBAYOESNSA-N 2 0 374.485 0.200 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911072405 1195886130 /nfs/dbraw/zinc/88/61/30/1195886130.db2.gz KTRUMBWVATVCKV-HNNXBMFYSA-N 2 0 362.474 0.441 20 0 FCADRP O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911070046 1195886202 /nfs/dbraw/zinc/88/62/02/1195886202.db2.gz ZMQJYEBBGUIJEB-JKSUJKDBSA-N 2 0 357.458 0.366 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911103986 1195890536 /nfs/dbraw/zinc/89/05/36/1195890536.db2.gz VUUAGNMSBWGLFW-CVEARBPZSA-N 2 0 373.501 0.921 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911127710 1195893646 /nfs/dbraw/zinc/89/36/46/1195893646.db2.gz YDPYBKMTWXEQAL-WBVHZDCISA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000911216767 1195916797 /nfs/dbraw/zinc/91/67/97/1195916797.db2.gz URXVEGAHHAZJLA-MXSMSXNCSA-N 2 0 358.486 0.961 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644634 1195933258 /nfs/dbraw/zinc/93/32/58/1195933258.db2.gz OUFXRAHAVBKFFX-QGTPRVQTSA-N 2 0 358.442 0.926 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000911404428 1195955364 /nfs/dbraw/zinc/95/53/64/1195955364.db2.gz YQWDQVKKUOHXBV-UHFFFAOYSA-N 2 0 359.474 0.754 20 0 FCADRP C[C@H](CCNC(=O)c1cnc(C(=O)NCC[C@H](C)[NH+](C)C)cn1)[NH+](C)C ZINC000912388551 1196346170 /nfs/dbraw/zinc/34/61/70/1196346170.db2.gz XOXRWRHIXQNURA-OKILXGFUSA-N 2 0 364.494 0.617 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654383 1196347183 /nfs/dbraw/zinc/34/71/83/1196347183.db2.gz LKCWSZSPASEAEI-PBIMCDDKSA-N 2 0 357.454 0.211 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1CC[NH+](CC3CC3)CC1)C[C@H]2C(=O)N(C)C ZINC001168394576 1196498062 /nfs/dbraw/zinc/49/80/62/1196498062.db2.gz CJQQOMOIAXOROL-SFHVURJKSA-N 2 0 362.518 0.729 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592959827 1196601335 /nfs/dbraw/zinc/60/13/35/1196601335.db2.gz WSIIURMQLWGWCU-KGLIPLIRSA-N 2 0 362.478 0.036 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897292 1196830485 /nfs/dbraw/zinc/83/04/85/1196830485.db2.gz CESYLRDEZMWGLG-ZACQAIPSSA-N 2 0 365.522 0.855 20 0 FCADRP C[NH+](CC(=O)N1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C1CCC1 ZINC000913741483 1197120517 /nfs/dbraw/zinc/12/05/17/1197120517.db2.gz RIWNFPYMTYQRRL-KRWDZBQOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949064 1197157825 /nfs/dbraw/zinc/15/78/25/1197157825.db2.gz MIZOOBUZGUNJKD-UXPWSPDFSA-N 2 0 362.518 0.969 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236491 1224396821 /nfs/dbraw/zinc/39/68/21/1224396821.db2.gz VGASJMFBWHAIIG-YJBOKZPZSA-N 3 0 360.506 0.303 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236332 1224397133 /nfs/dbraw/zinc/39/71/33/1224397133.db2.gz RPZICRSYJJBLKM-IAOVAPTHSA-N 2 0 360.458 0.951 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106139309 1197233815 /nfs/dbraw/zinc/23/38/15/1197233815.db2.gz SHFPGMXHMPQQPS-QGPMSJSTSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106142865 1197293787 /nfs/dbraw/zinc/29/37/87/1197293787.db2.gz ABKLDMBOQUMDFH-ZTFGCOKTSA-N 2 0 362.518 0.539 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149772 1197309164 /nfs/dbraw/zinc/30/91/64/1197309164.db2.gz RDEMISVMZIGTEC-JOCBIADPSA-N 2 0 368.522 0.163 20 0 FCADRP CCOC(=O)C1(C(=O)Nc2c(F)cccc2N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001219291407 1224416493 /nfs/dbraw/zinc/41/64/93/1224416493.db2.gz YLXZTGZAYXBKMD-UHFFFAOYSA-N 2 0 364.421 0.844 20 0 FCADRP CC1(C)NC(=O)Nc2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc21 ZINC001219338287 1224432172 /nfs/dbraw/zinc/43/21/72/1224432172.db2.gz IPMFDRDJXUORLA-AWEZNQCLSA-N 2 0 360.462 0.746 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049967 1197741844 /nfs/dbraw/zinc/74/18/44/1197741844.db2.gz ZPGCTPLRABZILU-GQIGUUNPSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106245048 1197776367 /nfs/dbraw/zinc/77/63/67/1197776367.db2.gz YZZRQOCZQWTLGF-FGTMMUONSA-N 2 0 364.534 0.881 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246590 1197779641 /nfs/dbraw/zinc/77/96/41/1197779641.db2.gz PNEJRMNLTMKUMK-HZPDHXFCSA-N 2 0 367.538 0.862 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC1 ZINC001085352950 1197840582 /nfs/dbraw/zinc/84/05/82/1197840582.db2.gz GDZCCVURUNSKRI-IAGOWNOFSA-N 2 0 365.522 0.761 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001085359692 1197842295 /nfs/dbraw/zinc/84/22/95/1197842295.db2.gz VNFLWNYQOXPGBH-ARFHVFGLSA-N 2 0 364.494 0.339 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106322348 1197865209 /nfs/dbraw/zinc/86/52/09/1197865209.db2.gz MABFPWXYUVBYOB-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106322411 1197865518 /nfs/dbraw/zinc/86/55/18/1197865518.db2.gz OBYNEZCSBAPAHK-RBSFLKMASA-N 2 0 363.462 0.782 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106371461 1197882528 /nfs/dbraw/zinc/88/25/28/1197882528.db2.gz ZYNORMYREHBWFB-HZPDHXFCSA-N 2 0 362.518 0.920 20 0 FCADRP COC(=O)c1nn(C)c2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc21 ZINC001219367492 1224443688 /nfs/dbraw/zinc/44/36/88/1224443688.db2.gz PSRQWIGRCRGMOZ-AWEZNQCLSA-N 2 0 374.445 0.049 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621673 1198037887 /nfs/dbraw/zinc/03/78/87/1198037887.db2.gz YIMYJHHIMMFYNF-NVXWUHKLSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001066339257 1198045870 /nfs/dbraw/zinc/04/58/70/1198045870.db2.gz PQTYCKJETHICET-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086088713 1198151169 /nfs/dbraw/zinc/15/11/69/1198151169.db2.gz NDLWLESUVGOHKT-PXGUKHNGSA-N 2 0 366.506 0.092 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086205191 1198254886 /nfs/dbraw/zinc/25/48/86/1198254886.db2.gz FGISWVHQSCQWQN-XXQMMXQMSA-N 2 0 370.497 0.705 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC001086369797 1198330815 /nfs/dbraw/zinc/33/08/15/1198330815.db2.gz AZKDPSMFKCVULE-PGZVSCLCSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001086371010 1198331924 /nfs/dbraw/zinc/33/19/24/1198331924.db2.gz LKJXSTCXMFQLHE-KBUPBQIOSA-N 2 0 362.478 0.133 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CC[N@@H+]1C ZINC001086371046 1198332050 /nfs/dbraw/zinc/33/20/50/1198332050.db2.gz NJHLKLWBYKVMMB-OVYGPGRDSA-N 2 0 360.506 0.980 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001219489576 1224485710 /nfs/dbraw/zinc/48/57/10/1224485710.db2.gz RBFIXAWYGVAOTM-LJQANCHMSA-N 2 0 361.490 0.855 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001219489192 1224486120 /nfs/dbraw/zinc/48/61/20/1224486120.db2.gz KXYRWPPQLRVLFJ-KRWDZBQOSA-N 2 0 361.490 0.726 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]1(C)CC[NH2+]C[C@H]1O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501398 1224488989 /nfs/dbraw/zinc/48/89/89/1224488989.db2.gz VGQBQAOCARHFIG-LZQZEXGQSA-N 2 0 374.441 0.177 20 0 FCADRP COc1cc2c(cc1NC(=O)COC1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501913 1224489312 /nfs/dbraw/zinc/48/93/12/1224489312.db2.gz ZVIAUKNHVIXCOB-IBGZPJMESA-N 2 0 374.441 0.586 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@]13CC[NH2+]C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500836 1224489485 /nfs/dbraw/zinc/48/94/85/1224489485.db2.gz JEMDBCARRMKNTN-YXKWSERDSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503143 1224489987 /nfs/dbraw/zinc/48/99/87/1224489987.db2.gz BXEGAYCTIIXBNH-GDAOTKPNSA-N 2 0 362.405 0.765 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@@]1(O)CCC[NH2+]C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501925 1224490561 /nfs/dbraw/zinc/49/05/61/1224490561.db2.gz ZWEAWYTXTFMQBE-RBUKOAKNSA-N 2 0 374.441 0.322 20 0 FCADRP CC1(C)Cc2c(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cccc2NC1=O ZINC001219530687 1224499246 /nfs/dbraw/zinc/49/92/46/1224499246.db2.gz XIEWMVBXUJDFTE-AWEZNQCLSA-N 2 0 359.474 0.896 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537848 1224503079 /nfs/dbraw/zinc/50/30/79/1224503079.db2.gz QQIRNHFDLNXKFA-KEYYUXOJSA-N 2 0 366.421 0.742 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219542481 1224503646 /nfs/dbraw/zinc/50/36/46/1224503646.db2.gz SFEQPAWLQXVYLK-MLGOLLRUSA-N 2 0 366.425 0.586 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001169125273 1199046052 /nfs/dbraw/zinc/04/60/52/1199046052.db2.gz YATIOZZABFBWKE-ZQQZQOJVSA-N 2 0 374.489 0.027 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001169125272 1199046417 /nfs/dbraw/zinc/04/64/17/1199046417.db2.gz YATIOZZABFBWKE-AUOOEQCUSA-N 2 0 374.489 0.027 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129334263 1199070834 /nfs/dbraw/zinc/07/08/34/1199070834.db2.gz YBAVWFBGEKMXDQ-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001219642368 1224543233 /nfs/dbraw/zinc/54/32/33/1224543233.db2.gz SGSOEKIWHPXRRB-JYJNAYRXSA-N 2 0 361.490 0.671 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC001219651813 1224545497 /nfs/dbraw/zinc/54/54/97/1224545497.db2.gz XTVPJFSPLVTQIO-KANFNMMFSA-N 2 0 372.513 0.909 20 0 FCADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219703860 1224566456 /nfs/dbraw/zinc/56/64/56/1224566456.db2.gz RQIOUZRPKGBAKX-KRWDZBQOSA-N 2 0 366.469 0.491 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219741275 1224587663 /nfs/dbraw/zinc/58/76/63/1224587663.db2.gz FZDKRJUTZANBKK-AEFFLSMTSA-N 3 0 364.534 0.868 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219741634 1224588441 /nfs/dbraw/zinc/58/84/41/1224588441.db2.gz PPLAHURPBYAQPI-JKSUJKDBSA-N 2 0 373.501 0.552 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384732 1200087973 /nfs/dbraw/zinc/08/79/73/1200087973.db2.gz AEOXBUJPMDABFE-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129384951 1200089952 /nfs/dbraw/zinc/08/99/52/1200089952.db2.gz CMEJZJISPZBPBI-CVEARBPZSA-N 2 0 362.478 0.142 20 0 FCADRP [NH3+][C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCc2cc(F)ccc2C1 ZINC001219750040 1224593815 /nfs/dbraw/zinc/59/38/15/1224593815.db2.gz VNKMHXWLFAIWJQ-GOSISDBHSA-N 2 0 358.421 0.413 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753085 1224595609 /nfs/dbraw/zinc/59/56/09/1224595609.db2.gz ALWDPTWJXCHDBS-IAGOWNOFSA-N 2 0 373.501 0.953 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410570 1200252351 /nfs/dbraw/zinc/25/23/51/1200252351.db2.gz KAYYTQHYVMHGGX-BDXSIMOUSA-N 2 0 369.506 0.216 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219796318 1224617532 /nfs/dbraw/zinc/61/75/32/1224617532.db2.gz VMEKNILJWKWTDP-OALUTQOASA-N 3 0 363.550 0.535 20 0 FCADRP Cn1nccc1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109848050 1200559588 /nfs/dbraw/zinc/55/95/88/1200559588.db2.gz TUNUUYPTBIROFI-SQNIBIBYSA-N 2 0 361.490 0.406 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219804137 1224622403 /nfs/dbraw/zinc/62/24/03/1224622403.db2.gz NPWDEALLPSEINJ-CEXWTWQISA-N 2 0 360.502 0.754 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810724 1224628369 /nfs/dbraw/zinc/62/83/69/1224628369.db2.gz BLTCYKFGIFTKCN-OAHLLOKOSA-N 2 0 372.425 0.787 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219813417 1224629656 /nfs/dbraw/zinc/62/96/56/1224629656.db2.gz STTXGELDSNAUMM-YJLNNSPDSA-N 2 0 357.454 0.689 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000785521705 1200766909 /nfs/dbraw/zinc/76/69/09/1200766909.db2.gz VILPRKGWVLTOOE-SJORKVTESA-N 2 0 366.506 0.204 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219814396 1224631190 /nfs/dbraw/zinc/63/11/90/1224631190.db2.gz CIOJJQHQDBEPKT-CPLUKWAASA-N 2 0 356.470 0.065 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001112578696 1200817371 /nfs/dbraw/zinc/81/73/71/1200817371.db2.gz BMSVLYBUURDROY-BXWFABGCSA-N 2 0 363.506 0.182 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001219816194 1224633566 /nfs/dbraw/zinc/63/35/66/1224633566.db2.gz CSEJVYWARPQGBZ-KURKYZTESA-N 3 0 358.486 0.659 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787099520 1200865578 /nfs/dbraw/zinc/86/55/78/1200865578.db2.gz AEJXBRAWYUECEG-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000787137320 1200867931 /nfs/dbraw/zinc/86/79/31/1200867931.db2.gz ORSVSKNUOPOZMJ-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787130789 1200869609 /nfs/dbraw/zinc/86/96/09/1200869609.db2.gz PBKIZFPJWGRKDZ-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219833239 1224645114 /nfs/dbraw/zinc/64/51/14/1224645114.db2.gz AYSCNSSOEJUOID-NEPXVJNWSA-N 2 0 367.490 0.047 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834490 1224645998 /nfs/dbraw/zinc/64/59/98/1224645998.db2.gz QLRZEICTFBOVNE-QFHJOOASSA-N 2 0 367.490 0.047 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837094 1224646958 /nfs/dbraw/zinc/64/69/58/1224646958.db2.gz HRDGSVDYLUXURY-SNRMKQJTSA-N 2 0 365.449 0.597 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837136 1224647134 /nfs/dbraw/zinc/64/71/34/1224647134.db2.gz HWEVGCLQLMJHMO-DCPHZVHLSA-N 2 0 359.470 0.240 20 0 FCADRP C[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1CC(C)(C)O ZINC000790385941 1201071751 /nfs/dbraw/zinc/07/17/51/1201071751.db2.gz OMOIXEBICZAUDV-BEFAXECRSA-N 2 0 366.506 0.638 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391189 1201072778 /nfs/dbraw/zinc/07/27/78/1201072778.db2.gz ZQKSONCXJIGOJK-KXBFYZLASA-N 2 0 366.506 0.638 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ccco2)CC1 ZINC001219849962 1224653761 /nfs/dbraw/zinc/65/37/61/1224653761.db2.gz KAXIHBCRFXIMBU-OXXUSNJHSA-N 2 0 362.474 0.485 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219852504 1224654776 /nfs/dbraw/zinc/65/47/76/1224654776.db2.gz SZTGJXNMLCYHCZ-XJEZRWEYSA-N 2 0 370.497 0.453 20 0 FCADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219856379 1224656179 /nfs/dbraw/zinc/65/61/79/1224656179.db2.gz KPEPULYHUIOBAA-FDPIWHGQSA-N 2 0 369.469 0.217 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnnnc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388978 1201208521 /nfs/dbraw/zinc/20/85/21/1201208521.db2.gz BEGSGSKLGRSMAJ-YDMUCJKGSA-N 2 0 368.482 0.145 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129411659 1201298151 /nfs/dbraw/zinc/29/81/51/1201298151.db2.gz AYAHPLGFVUTNEO-IMJJTQAJSA-N 2 0 361.450 0.021 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460026 1201325344 /nfs/dbraw/zinc/32/53/44/1201325344.db2.gz GPWOOJFAGIXORA-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001219877855 1224667974 /nfs/dbraw/zinc/66/79/74/1224667974.db2.gz SUFAJLBZRROEHE-ZACQAIPSSA-N 2 0 369.506 0.075 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877488 1224668163 /nfs/dbraw/zinc/66/81/63/1224668163.db2.gz IAAAASUZIQSWDX-SJORKVTESA-N 2 0 371.522 0.323 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685049 1201369684 /nfs/dbraw/zinc/36/96/84/1201369684.db2.gz LYXOELFEAHZKLJ-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685950 1201371113 /nfs/dbraw/zinc/37/11/13/1201371113.db2.gz VNKZLFIHIHRANP-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129878750 1201411303 /nfs/dbraw/zinc/41/13/03/1201411303.db2.gz CQSDZYQYIPBQMR-OAGGEKHMSA-N 2 0 370.473 0.336 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129878992 1201411667 /nfs/dbraw/zinc/41/16/67/1201411667.db2.gz MXYIZBQZPVJENO-XHSDSOJGSA-N 2 0 370.473 0.336 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)ccc2c[nH+]cn21 ZINC001129919240 1201441777 /nfs/dbraw/zinc/44/17/77/1201441777.db2.gz RJAKBLGXLZOLIH-SJORKVTESA-N 2 0 369.429 0.272 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129924554 1201443796 /nfs/dbraw/zinc/44/37/96/1201443796.db2.gz BHCXFEKDUOAMRE-OAGGEKHMSA-N 2 0 364.469 0.996 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898203 1224674429 /nfs/dbraw/zinc/67/44/29/1224674429.db2.gz HILYNVXNZYVINY-UONOGXRCSA-N 2 0 362.409 0.165 20 0 FCADRP C[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCCC1 ZINC001130034556 1201482364 /nfs/dbraw/zinc/48/23/64/1201482364.db2.gz SHDZCXZECFBULP-ZACQAIPSSA-N 2 0 364.494 0.267 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047520 1201486380 /nfs/dbraw/zinc/48/63/80/1201486380.db2.gz FOBWDTXCFQSZLG-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130047785 1201486391 /nfs/dbraw/zinc/48/63/91/1201486391.db2.gz TWQNNBZSHXNZJA-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130136963 1201514562 /nfs/dbraw/zinc/51/45/62/1201514562.db2.gz BNGHKHJXVXZJMK-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130136973 1201514784 /nfs/dbraw/zinc/51/47/84/1201514784.db2.gz BVHVVIQJJBJGGM-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130148215 1201520476 /nfs/dbraw/zinc/52/04/76/1201520476.db2.gz KIGJBYXEKOLNSD-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP C[NH+](C)[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)C1CC1 ZINC001130220596 1201547495 /nfs/dbraw/zinc/54/74/95/1201547495.db2.gz FYHZKKJTNFVJSB-YDHLFZDLSA-N 2 0 368.457 0.193 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001130227974 1201555319 /nfs/dbraw/zinc/55/53/19/1201555319.db2.gz XQOAUSPWVHKXLG-KBPBESRZSA-N 2 0 364.494 0.777 20 0 FCADRP C[C@@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234631 1201558086 /nfs/dbraw/zinc/55/80/86/1201558086.db2.gz FIKAXRNFUKDSPU-RDBSUJKOSA-N 2 0 370.473 0.583 20 0 FCADRP CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130235153 1201559204 /nfs/dbraw/zinc/55/92/04/1201559204.db2.gz VORFDPAYYBZXMY-RDBSUJKOSA-N 2 0 370.473 0.583 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130247238 1201567043 /nfs/dbraw/zinc/56/70/43/1201567043.db2.gz ZRUHOFSSBJWFOE-KKUMJFAQSA-N 2 0 364.494 0.635 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)C1 ZINC001130249082 1201568367 /nfs/dbraw/zinc/56/83/67/1201568367.db2.gz IWFJIUAAGOSCKZ-RDBSUJKOSA-N 2 0 368.457 0.194 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001219925808 1224684833 /nfs/dbraw/zinc/68/48/33/1224684833.db2.gz WVNGXDAGWSCHNH-ULQDDVLXSA-N 2 0 374.485 0.554 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931461 1224688015 /nfs/dbraw/zinc/68/80/15/1224688015.db2.gz RLAWNWRCAADGTB-KRWDZBQOSA-N 2 0 361.490 0.799 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941409 1224692746 /nfs/dbraw/zinc/69/27/46/1224692746.db2.gz XPSYIBGYDRHSBI-DLBZAZTESA-N 2 0 361.490 0.791 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)c1 ZINC001219943440 1224693520 /nfs/dbraw/zinc/69/35/20/1224693520.db2.gz IZCKUGGSSMJFLO-INIZCTEOSA-N 2 0 364.490 0.623 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001130621794 1202738394 /nfs/dbraw/zinc/73/83/94/1202738394.db2.gz FMRURKPOKPXIGV-DOTOQJQBSA-N 2 0 361.490 0.579 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC[C@@H]2CCOC2)c1 ZINC001130670097 1202751714 /nfs/dbraw/zinc/75/17/14/1202751714.db2.gz QXLCTIOCCIKOSK-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC[C@H]2CCOC2)c1 ZINC001130670098 1202751799 /nfs/dbraw/zinc/75/17/99/1202751799.db2.gz QXLCTIOCCIKOSK-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130687775 1202754076 /nfs/dbraw/zinc/75/40/76/1202754076.db2.gz QASCRLHNPUBIBI-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1)OC ZINC001130728543 1202764087 /nfs/dbraw/zinc/76/40/87/1202764087.db2.gz GEQHZWURCZTNNP-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP [NH3+]CCOCCOCCNc1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001170512420 1202779903 /nfs/dbraw/zinc/77/99/03/1202779903.db2.gz DAIVCJSQMSBOMQ-UHFFFAOYSA-N 2 0 365.478 0.964 20 0 FCADRP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130804749 1202800721 /nfs/dbraw/zinc/80/07/21/1202800721.db2.gz NQKZAJVNNISFDM-UONOGXRCSA-N 2 0 370.473 0.932 20 0 FCADRP CC(C)[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)[NH+](C)C ZINC001130809306 1202802479 /nfs/dbraw/zinc/80/24/79/1202802479.db2.gz QMUDIUXYQNWEMH-GZBFAFLISA-N 2 0 370.473 0.786 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000807026403 1202807195 /nfs/dbraw/zinc/80/71/95/1202807195.db2.gz RSCBZAHBYJDJKW-INIZCTEOSA-N 2 0 366.506 0.347 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131062058 1202854234 /nfs/dbraw/zinc/85/42/34/1202854234.db2.gz TWUUVNFCQRKURE-DJIMGWMZSA-N 2 0 363.506 0.681 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070299 1202856278 /nfs/dbraw/zinc/85/62/78/1202856278.db2.gz OHGMXNUHOMKRQF-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc2)n1 ZINC001220082456 1224751092 /nfs/dbraw/zinc/75/10/92/1224751092.db2.gz ZFAVTCIUCNQCHO-LJQANCHMSA-N 2 0 370.501 0.856 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131318857 1202886703 /nfs/dbraw/zinc/88/67/03/1202886703.db2.gz UTCQBDHSZYYHLG-ZACQAIPSSA-N 2 0 364.490 0.843 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555766 1202913212 /nfs/dbraw/zinc/91/32/12/1202913212.db2.gz VVNHOMZGMRSESN-APWZRJJASA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131588237 1202916535 /nfs/dbraw/zinc/91/65/35/1202916535.db2.gz ZEWHTMVRDSDAMD-SCTDSRPQSA-N 2 0 371.522 0.321 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131583086 1202918205 /nfs/dbraw/zinc/91/82/05/1202918205.db2.gz OIUPPRCOWPDMKY-MJGOQNOKSA-N 2 0 371.522 0.323 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604773 1202918563 /nfs/dbraw/zinc/91/85/63/1202918563.db2.gz GLMTWJWCAAHXCO-LMMKCTJWSA-N 2 0 369.506 0.075 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001131597173 1202919570 /nfs/dbraw/zinc/91/95/70/1202919570.db2.gz PIOKAHDFFQCOBO-JZXOWHBKSA-N 2 0 368.522 0.578 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001131597062 1202919688 /nfs/dbraw/zinc/91/96/88/1202919688.db2.gz JJTBMVBARBAJRM-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131609040 1202920436 /nfs/dbraw/zinc/92/04/36/1202920436.db2.gz XCIQLLZHSOQHBU-LESCRADOSA-N 2 0 368.522 0.447 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)[C@@H](c2ccccc2)C1 ZINC001134121241 1203014944 /nfs/dbraw/zinc/01/49/44/1203014944.db2.gz UEDWJZBIPNOHLS-MSOLQXFVSA-N 2 0 358.486 0.660 20 0 FCADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126255 1203015575 /nfs/dbraw/zinc/01/55/75/1203015575.db2.gz HWKJFXNXAMFTOV-FGTMMUONSA-N 2 0 358.486 0.658 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086744689 1203068485 /nfs/dbraw/zinc/06/84/85/1203068485.db2.gz HVYFEIIQXWFADV-RRFJBIMHSA-N 2 0 362.474 0.295 20 0 FCADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001086755568 1203078635 /nfs/dbraw/zinc/07/86/35/1203078635.db2.gz BYYPFFCTLCXMTB-MELADBBJSA-N 2 0 356.430 0.629 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001086785206 1203092498 /nfs/dbraw/zinc/09/24/98/1203092498.db2.gz ODYXYKGEQJPCDX-LZLYRXPVSA-N 2 0 363.506 0.904 20 0 FCADRP CC[C@]([NH3+])(CO)Nc1nccc(C[N@@H+]2CC[C@H](CO)C2)c1C(OC)OC ZINC001170857164 1203098349 /nfs/dbraw/zinc/09/83/49/1203098349.db2.gz DHJKFNGEMGYNQC-SCLBCKFNSA-N 2 0 368.478 0.656 20 0 FCADRP COCCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863268 1203101934 /nfs/dbraw/zinc/10/19/34/1203101934.db2.gz UWJAMNRFCUFVQK-GVDBMIGSSA-N 2 0 370.538 0.744 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817927185 1203124484 /nfs/dbraw/zinc/12/44/84/1203124484.db2.gz ZCKPQYQJZIZFTG-AEFFLSMTSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000817975274 1203129719 /nfs/dbraw/zinc/12/97/19/1203129719.db2.gz SMWRUVNWHPYPQA-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899875 1203137185 /nfs/dbraw/zinc/13/71/85/1203137185.db2.gz YPJVHMPYEQIYGT-UKRRQHHQSA-N 3 0 367.494 0.623 20 0 FCADRP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819005004 1203147356 /nfs/dbraw/zinc/14/73/56/1203147356.db2.gz VXRLEEVVCCFWJW-YOEHRIQHSA-N 2 0 365.474 0.914 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001220120748 1224776929 /nfs/dbraw/zinc/77/69/29/1224776929.db2.gz OOFGGUMXXHDXFE-HNNXBMFYSA-N 3 0 361.446 0.725 20 0 FCADRP O=C([C@H]1[C@@H](O)CCN1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143669999 1203322843 /nfs/dbraw/zinc/32/28/43/1203322843.db2.gz KHVUJNUIBSYKRT-DLBZAZTESA-N 2 0 353.426 0.417 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163777 1224792434 /nfs/dbraw/zinc/79/24/34/1224792434.db2.gz VETJJJVYQUCYJX-FUHIMQAGSA-N 2 0 358.486 0.711 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220224145 1224807856 /nfs/dbraw/zinc/80/78/56/1224807856.db2.gz BCFAIYXMNDYIHQ-IXDOHACOSA-N 2 0 365.474 0.931 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc2n[nH]cc21 ZINC001220309517 1224825295 /nfs/dbraw/zinc/82/52/95/1224825295.db2.gz ZIFGPQUYNMYJBG-RDJZCZTQSA-N 2 0 372.473 0.626 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315648 1224826967 /nfs/dbraw/zinc/82/69/67/1224826967.db2.gz GJFNLUCFKHMBEU-SVFBPWRDSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351662 1224838511 /nfs/dbraw/zinc/83/85/11/1224838511.db2.gz DFXUEHQWSLMNMG-BBWFWOEESA-N 2 0 364.494 0.094 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cn1 ZINC000846321379 1204613854 /nfs/dbraw/zinc/61/38/54/1204613854.db2.gz PSWHPCHBQZCLTD-KRWDZBQOSA-N 2 0 370.457 0.386 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCC1=O ZINC001220358180 1224842126 /nfs/dbraw/zinc/84/21/26/1224842126.db2.gz PMLVHJNQZJFJQV-NUJGCVRESA-N 2 0 373.453 0.740 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001144935909 1204661245 /nfs/dbraw/zinc/66/12/45/1204661245.db2.gz KVRRUPANEZHTBD-GBESFXJTSA-N 2 0 360.502 0.802 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674002 /nfs/dbraw/zinc/67/40/02/1204674002.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 0 370.538 0.926 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091686313 1204821939 /nfs/dbraw/zinc/82/19/39/1204821939.db2.gz AVMYHPZZFQFMSC-ASKNOMKYSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743119 1204839833 /nfs/dbraw/zinc/83/98/33/1204839833.db2.gz KIAQXHDZYMQICE-WTANOLMUSA-N 2 0 362.474 0.056 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452783 1204850232 /nfs/dbraw/zinc/85/02/32/1204850232.db2.gz BHFZAXFOSPAJAK-RDJZCZTQSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086970597 1204869837 /nfs/dbraw/zinc/86/98/37/1204869837.db2.gz YSCJQGQRXPCFQZ-RCCFBDPRSA-N 2 0 371.489 0.295 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2[NH2+]CCO)cn1 ZINC001087002411 1204890376 /nfs/dbraw/zinc/89/03/76/1204890376.db2.gz YGZPTFUTUNRADQ-RBUKOAKNSA-N 2 0 371.485 0.672 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)CC1 ZINC001087004366 1204892221 /nfs/dbraw/zinc/89/22/21/1204892221.db2.gz VNOBOCMZPKAAST-ZWKOTPCHSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2[NH2+]CCO)cn1 ZINC001087010539 1204897810 /nfs/dbraw/zinc/89/78/10/1204897810.db2.gz GCLZIJRMXXJENM-RBUKOAKNSA-N 2 0 371.485 0.672 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087035074 1204911029 /nfs/dbraw/zinc/91/10/29/1204911029.db2.gz KLXJGWGOQWNJSK-OWCLPIDISA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087055265 1204935016 /nfs/dbraw/zinc/93/50/16/1204935016.db2.gz CGCTXBAADCBFLF-KLHDSHLOSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087059517 1204944263 /nfs/dbraw/zinc/94/42/63/1204944263.db2.gz JXSJTBKMOTVOAN-BFYDXBDKSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083557 1204970459 /nfs/dbraw/zinc/97/04/59/1204970459.db2.gz KQEZYBBFCKWTFR-KBAYOESNSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083799 1204972644 /nfs/dbraw/zinc/97/26/44/1204972644.db2.gz SVNDMYKJAAEMAY-LZLYRXPVSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087079269 1204990276 /nfs/dbraw/zinc/99/02/76/1204990276.db2.gz HJJXBSSLYCPHJI-HZPDHXFCSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087096435 1205004055 /nfs/dbraw/zinc/00/40/55/1205004055.db2.gz MXBOBPAKAPYOPF-ARFHVFGLSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087096557 1205004548 /nfs/dbraw/zinc/00/45/48/1205004548.db2.gz RQWJOFJQBNHKAD-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091985454 1205094031 /nfs/dbraw/zinc/09/40/31/1205094031.db2.gz RWFAXIYHXWZWNG-MDZRGWNJSA-N 2 0 365.522 0.378 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010794 1205112416 /nfs/dbraw/zinc/11/24/16/1205112416.db2.gz LOKMELRGZBFSQZ-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010304 1205112582 /nfs/dbraw/zinc/11/25/82/1205112582.db2.gz BBORFWHVFOIUGZ-QINHECLXSA-N 2 0 362.518 0.872 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC1 ZINC001092130210 1205169959 /nfs/dbraw/zinc/16/99/59/1205169959.db2.gz SNXJPKQIJOJJTJ-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092145479 1205170526 /nfs/dbraw/zinc/17/05/26/1205170526.db2.gz OIPDUKLPALHIOK-HLIPFELVSA-N 2 0 365.518 0.914 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198146 1205191945 /nfs/dbraw/zinc/19/19/45/1205191945.db2.gz HJFWSHJCWMNAEN-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197986 1205192119 /nfs/dbraw/zinc/19/21/19/1205192119.db2.gz AFZLAQGQJLXZTL-YRNRMSPPSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092203933 1205198004 /nfs/dbraw/zinc/19/80/04/1205198004.db2.gz OIRVYJHVTOZYFG-AZOIQLNYSA-N 2 0 357.458 0.430 20 0 FCADRP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272584 1205219711 /nfs/dbraw/zinc/21/97/11/1205219711.db2.gz GMXUWXPOBOFQNF-KHYOSLBOSA-N 2 0 359.474 0.717 20 0 FCADRP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275785 1205222366 /nfs/dbraw/zinc/22/23/66/1205222366.db2.gz PWSIXPZDIHQCFX-BEFAXECRSA-N 2 0 359.474 0.861 20 0 FCADRP COc1coc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)cc1=O ZINC001092509492 1205298193 /nfs/dbraw/zinc/29/81/93/1205298193.db2.gz AQRZNJLUNZGABH-FMKPAKJESA-N 2 0 363.458 0.927 20 0 FCADRP CC(C)n1cc(CN2C[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@H](C)C2)nn1 ZINC001092522032 1205302116 /nfs/dbraw/zinc/30/21/16/1205302116.db2.gz JFFLXDCNCFQPOO-INMHGKMJSA-N 2 0 364.494 0.374 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611159 1205319703 /nfs/dbraw/zinc/31/97/03/1205319703.db2.gz LHSIHJKGZYDCIE-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481959 1224887830 /nfs/dbraw/zinc/88/78/30/1224887830.db2.gz XFBSYUJSZFGGNX-FAJBIJEISA-N 2 0 365.474 0.632 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001220497389 1224892958 /nfs/dbraw/zinc/89/29/58/1224892958.db2.gz ULMHALJSVKYOCB-SJORKVTESA-N 2 0 358.486 0.935 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[NH2+]C[C@H]3O)cc2)CC1 ZINC001220515762 1224899554 /nfs/dbraw/zinc/89/95/54/1224899554.db2.gz JVNQQCVHLQWQMM-MBZQJMLQSA-N 2 0 360.458 0.290 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001220519442 1224901928 /nfs/dbraw/zinc/90/19/28/1224901928.db2.gz OLWUAHGEUATLNH-UHFFFAOYSA-N 2 0 367.465 0.846 20 0 FCADRP NC1(C(=O)NCCOCCOCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220519271 1224902196 /nfs/dbraw/zinc/90/21/96/1224902196.db2.gz IOHAIHUCGWUPRI-UHFFFAOYSA-N 2 0 364.490 0.088 20 0 FCADRP O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220527084 1224908619 /nfs/dbraw/zinc/90/86/19/1224908619.db2.gz DQLQKBGWMQTIRP-HKUYNNGSSA-N 2 0 356.470 0.871 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910637 1205941405 /nfs/dbraw/zinc/94/14/05/1205941405.db2.gz HPWNNSMGXUQPFS-NUJGCVRESA-N 2 0 363.506 0.713 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934441 1205962095 /nfs/dbraw/zinc/96/20/95/1205962095.db2.gz APHZBPDHQBHAMI-GDBMZVCRSA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936683 1205963015 /nfs/dbraw/zinc/96/30/15/1205963015.db2.gz HATNDOSPCCYZCL-SOLBZPMBSA-N 2 0 364.534 0.929 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968141 1205967887 /nfs/dbraw/zinc/96/78/87/1205967887.db2.gz NMRBECRZXUJSBC-CRAIPNDOSA-N 2 0 360.502 0.834 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040445 1206001774 /nfs/dbraw/zinc/00/17/74/1206001774.db2.gz PICMKVYYQUQNDS-IXDOHACOSA-N 2 0 363.506 0.779 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134035 1206032176 /nfs/dbraw/zinc/03/21/76/1206032176.db2.gz UHUYFBWQCDVMPM-BRWVUGGUSA-N 2 0 362.518 0.683 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136979 1206033750 /nfs/dbraw/zinc/03/37/50/1206033750.db2.gz GKQVGACANUEFEZ-CKEIUWERSA-N 2 0 359.474 0.724 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093777372 1206122685 /nfs/dbraw/zinc/12/26/85/1206122685.db2.gz YBTYKRDEQGZUGE-HZPDHXFCSA-N 2 0 371.489 0.733 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001093820218 1206123157 /nfs/dbraw/zinc/12/31/57/1206123157.db2.gz GXRUXCIHHOVKOE-HUUCEWRRSA-N 2 0 363.510 0.752 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)n1C ZINC001093821605 1206123434 /nfs/dbraw/zinc/12/34/34/1206123434.db2.gz CYGMISMBSSVUKN-SIIHOXLZSA-N 2 0 362.522 0.902 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093856803 1206132153 /nfs/dbraw/zinc/13/21/53/1206132153.db2.gz FVXVWIBTNSJPNW-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093864001 1206137108 /nfs/dbraw/zinc/13/71/08/1206137108.db2.gz DRAKGDPBXFQMHT-FMKPAKJESA-N 2 0 361.494 0.676 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093883843 1206143199 /nfs/dbraw/zinc/14/31/99/1206143199.db2.gz AUESKKKDOPPBQI-BZUAXINKSA-N 2 0 363.510 0.515 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093942124 1206156027 /nfs/dbraw/zinc/15/60/27/1206156027.db2.gz RFEQRWHXDCWHKO-KYJSFNMBSA-N 2 0 360.506 0.874 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001094010694 1206169440 /nfs/dbraw/zinc/16/94/40/1206169440.db2.gz JWBXLOJVGAHHJF-UKRRQHHQSA-N 2 0 365.478 0.742 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041913 1206173920 /nfs/dbraw/zinc/17/39/20/1206173920.db2.gz IDHSYIQWFQWJPO-BZUAXINKSA-N 2 0 366.485 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094165029 1206197466 /nfs/dbraw/zinc/19/74/66/1206197466.db2.gz INFMVISJOSBCJH-RBSFLKMASA-N 2 0 364.494 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094166266 1206197881 /nfs/dbraw/zinc/19/78/81/1206197881.db2.gz STRUSEGRYUBUAN-RBSFLKMASA-N 2 0 361.494 0.534 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001094380871 1206222068 /nfs/dbraw/zinc/22/20/68/1206222068.db2.gz ZGHVWRJBHFQMDJ-FRQCXROJSA-N 2 0 363.506 0.467 20 0 FCADRP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC001094466443 1206226286 /nfs/dbraw/zinc/22/62/86/1206226286.db2.gz VTYSZZFMZXKOID-VQIMIIECSA-N 2 0 368.441 0.727 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)C12CC[NH+](CC1)C2 ZINC001094560008 1206238097 /nfs/dbraw/zinc/23/80/97/1206238097.db2.gz JZKOUVLDTHVUNW-SJLPKXTDSA-N 2 0 358.490 0.735 20 0 FCADRP CC[N@@H+]1CC[C@@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1 ZINC001173362353 1206269266 /nfs/dbraw/zinc/26/92/66/1206269266.db2.gz DZHXLMHLRPWBIX-SJLPKXTDSA-N 2 0 362.522 0.921 20 0 FCADRP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088676 1206329390 /nfs/dbraw/zinc/32/93/90/1206329390.db2.gz PGTPAJVDQDOVPR-GFCCVEGCSA-N 2 0 367.454 0.306 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001177651883 1206344952 /nfs/dbraw/zinc/34/49/52/1206344952.db2.gz XEZOGXBFSFBCIO-GOEBONIOSA-N 2 0 360.462 0.665 20 0 FCADRP OC(C[NH+]1CCC[C@H](C2OCCO2)C1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000773749393 1206359368 /nfs/dbraw/zinc/35/93/68/1206359368.db2.gz VPBXSRXWADWLDQ-HOTGVXAUSA-N 2 0 370.490 0.517 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)O1 ZINC001178838151 1206366585 /nfs/dbraw/zinc/36/65/85/1206366585.db2.gz YIQKSESLFJCOBV-HZPDHXFCSA-N 2 0 366.506 0.251 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)CC[C@@H]2C1 ZINC001203187405 1206385037 /nfs/dbraw/zinc/38/50/37/1206385037.db2.gz NRFASKOVTXTFBB-RTBURBONSA-N 2 0 361.486 0.790 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)CC1 ZINC001180611406 1206397008 /nfs/dbraw/zinc/39/70/08/1206397008.db2.gz AONKPKHTWOUOIR-UHFFFAOYSA-N 2 0 374.485 0.330 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@@H+]1C ZINC001182676665 1206440889 /nfs/dbraw/zinc/44/08/89/1206440889.db2.gz PODHVLJNFBVUSR-KBRIMQKVSA-N 2 0 362.518 0.822 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182655000 1206441625 /nfs/dbraw/zinc/44/16/25/1206441625.db2.gz VPEXSMUDNUTPCN-BRWVUGGUSA-N 2 0 362.474 0.353 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C ZINC001186936513 1206509778 /nfs/dbraw/zinc/50/97/78/1206509778.db2.gz XJELPKTUZFMTML-QWHCGFSZSA-N 2 0 371.482 0.590 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273546560 1207386333 /nfs/dbraw/zinc/38/63/33/1207386333.db2.gz ABLIPUMVWMMQSZ-IBGZPJMESA-N 2 0 368.522 0.357 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654409 1224994372 /nfs/dbraw/zinc/99/43/72/1224994372.db2.gz RABFSEAIWNYZLV-KRWDZBQOSA-N 2 0 361.490 0.346 20 0 FCADRP COCCCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963170 1207492982 /nfs/dbraw/zinc/49/29/82/1207492982.db2.gz LBHTWMOOFQBEEM-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018837 1207496522 /nfs/dbraw/zinc/49/65/22/1207496522.db2.gz WWKBRDYSMZPNBT-DLBZAZTESA-N 2 0 365.522 0.569 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159590 1207513857 /nfs/dbraw/zinc/51/38/57/1207513857.db2.gz AWQOIZDMDBAHHX-RRFJBIMHSA-N 2 0 364.490 0.302 20 0 FCADRP CCOC(=O)C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cccc(O)c1 ZINC001220667933 1225001081 /nfs/dbraw/zinc/00/10/81/1225001081.db2.gz HLKWGLGOZCTYAI-IDHHARJASA-N 2 0 361.442 0.702 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001189317570 1207532267 /nfs/dbraw/zinc/53/22/67/1207532267.db2.gz QWCFGVOMOFBJOY-ZWKOTPCHSA-N 2 0 362.518 0.777 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732971 1207595442 /nfs/dbraw/zinc/59/54/42/1207595442.db2.gz SVRIPCAGXGCPKI-IPMKNSEASA-N 2 0 365.518 0.648 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802081 1207610400 /nfs/dbraw/zinc/61/04/00/1207610400.db2.gz RCMJFSVHFNAVFO-OKZBNKHCSA-N 2 0 365.518 0.648 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871775 1207614392 /nfs/dbraw/zinc/61/43/92/1207614392.db2.gz QMHVIEUETKVGFX-OKZBNKHCSA-N 2 0 371.522 0.275 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189942156 1207628002 /nfs/dbraw/zinc/62/80/02/1207628002.db2.gz MFTLKMWUNUDDJV-DOTOQJQBSA-N 2 0 359.474 0.662 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220680744 1225009669 /nfs/dbraw/zinc/00/96/69/1225009669.db2.gz PLGPNXJTXYPDCU-MTGDMNJTSA-N 2 0 354.454 0.885 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001273642570 1207839365 /nfs/dbraw/zinc/83/93/65/1207839365.db2.gz WMQHNBYAMHFPHX-FOIQADDNSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001193738135 1207886791 /nfs/dbraw/zinc/88/67/91/1207886791.db2.gz ONMGWAMHYNYFKM-KZNAEPCWSA-N 2 0 371.497 0.931 20 0 FCADRP CN(C)c1ccccc1CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791228 1207889581 /nfs/dbraw/zinc/88/95/81/1207889581.db2.gz FZRPQKQZDWRVFU-IEBWSBKVSA-N 2 0 360.502 0.898 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828400 1207892294 /nfs/dbraw/zinc/89/22/94/1207892294.db2.gz PLKGSFCVHAFEKP-IAGOWNOFSA-N 2 0 364.494 0.094 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)n3ccc([C@H]4CCC[NH2+]4)nc3=N)c2)CC1 ZINC001193944355 1207904088 /nfs/dbraw/zinc/90/40/88/1207904088.db2.gz RLFPYFYDGLOLQA-MRXNPFEDSA-N 2 0 367.457 0.622 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2cccc3c2OCCO3)C[C@H]1O)[NH+](C)C ZINC001194095732 1207917372 /nfs/dbraw/zinc/91/73/72/1207917372.db2.gz NHUUJNJYNNHYQR-BZUAXINKSA-N 2 0 363.458 0.459 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1O)[NH+](C)C ZINC001194095363 1207918071 /nfs/dbraw/zinc/91/80/71/1207918071.db2.gz GAYXCRDHFJDXHK-GUDVDZBRSA-N 2 0 371.485 0.874 20 0 FCADRP COCCn1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1=O ZINC001194492665 1207955894 /nfs/dbraw/zinc/95/58/94/1207955894.db2.gz TXZNPVVJKPIBEA-UHFFFAOYSA-N 2 0 366.506 0.840 20 0 FCADRP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831928 1207978140 /nfs/dbraw/zinc/97/81/40/1207978140.db2.gz IVWKFBGNOAHGDT-YSYSEBPNSA-N 2 0 363.502 0.757 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006298 1207988503 /nfs/dbraw/zinc/98/85/03/1207988503.db2.gz FLOVZQNJEYQOIA-IAGOWNOFSA-N 2 0 363.506 0.388 20 0 FCADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654011 1208033712 /nfs/dbraw/zinc/03/37/12/1208033712.db2.gz KPPVRTHUUYONHR-SJLPKXTDSA-N 2 0 360.502 0.756 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCOCCNC(C)=O)CC2)CC[N@@H+]1C ZINC001195900629 1208044168 /nfs/dbraw/zinc/04/41/68/1208044168.db2.gz NVCSCQSNVJNDEM-ZWKOTPCHSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251334 1208069305 /nfs/dbraw/zinc/06/93/05/1208069305.db2.gz IXKBJONAESPVKY-CGTJXYLNSA-N 2 0 369.506 0.075 20 0 FCADRP CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307160 1208070989 /nfs/dbraw/zinc/07/09/89/1208070989.db2.gz LYNIUWHMGGMNTC-RCCFBDPRSA-N 2 0 371.522 0.321 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306481 1208071040 /nfs/dbraw/zinc/07/10/40/1208071040.db2.gz FWPHOILKWQDEKH-RCCFBDPRSA-N 2 0 371.522 0.465 20 0 FCADRP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196799037 1208107627 /nfs/dbraw/zinc/10/76/27/1208107627.db2.gz YTDCXQAHPHIHPP-XXCOWLKOSA-N 2 0 363.506 0.966 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196918241 1208117301 /nfs/dbraw/zinc/11/73/01/1208117301.db2.gz BZNMNCNFGPAZBU-IAGOWNOFSA-N 2 0 362.474 0.001 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000849 1208127725 /nfs/dbraw/zinc/12/77/25/1208127725.db2.gz MRSCLLXISKDIEG-BRWVUGGUSA-N 2 0 370.538 0.575 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O ZINC001197000795 1208128274 /nfs/dbraw/zinc/12/82/74/1208128274.db2.gz KFUGLQPXWNPEFS-QZTJIDSGSA-N 2 0 365.522 0.636 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001197255961 1208148876 /nfs/dbraw/zinc/14/88/76/1208148876.db2.gz ZXKLFJCEZSPVGD-QZTJIDSGSA-N 2 0 365.449 0.598 20 0 FCADRP CCc1ccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001197536273 1208172137 /nfs/dbraw/zinc/17/21/37/1208172137.db2.gz QQIPNNACHKXFNI-GUDVDZBRSA-N 2 0 363.502 0.786 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)c2ccc(C[NH+]3CC[C@@H](O)C3)cc2)CC1 ZINC001197620223 1208177981 /nfs/dbraw/zinc/17/79/81/1208177981.db2.gz PFFMQTBMJGTKGW-LJQANCHMSA-N 2 0 360.502 0.621 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CC1 ZINC001197833570 1208198556 /nfs/dbraw/zinc/19/85/56/1208198556.db2.gz JRQUJNLPDGQIHP-KBAYOESNSA-N 2 0 362.474 0.738 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001198029612 1208215737 /nfs/dbraw/zinc/21/57/37/1208215737.db2.gz DZKKJIWJRLNGPT-UHFFFAOYSA-N 3 0 356.474 0.893 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001198698935 1208279130 /nfs/dbraw/zinc/27/91/30/1208279130.db2.gz IBIIHHCQQIPADP-KBAYOESNSA-N 2 0 365.518 0.696 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199024019 1208310442 /nfs/dbraw/zinc/31/04/42/1208310442.db2.gz XMYJSYNKECYPDQ-GUDVDZBRSA-N 2 0 367.534 0.965 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001691706753 1208438611 /nfs/dbraw/zinc/43/86/11/1208438611.db2.gz BPXHHBWDEZNIHL-HYVNUMGLSA-N 2 0 361.490 0.435 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229327 1208449236 /nfs/dbraw/zinc/44/92/36/1208449236.db2.gz BBFWRYBHKMFMGV-BFYDXBDKSA-N 2 0 368.522 0.447 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001110575205 1208480568 /nfs/dbraw/zinc/48/05/68/1208480568.db2.gz ANZLWGXEDLJYHI-TWPTVVAISA-N 2 0 374.485 0.958 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001488537071 1208531649 /nfs/dbraw/zinc/53/16/49/1208531649.db2.gz XSDSYEANHZNBJM-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220788855 1225075106 /nfs/dbraw/zinc/07/51/06/1225075106.db2.gz GUSBDEGTGTWXJV-IPMKNSEASA-N 2 0 357.502 0.922 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220790244 1225076656 /nfs/dbraw/zinc/07/66/56/1225076656.db2.gz PUOSCACUVXWGKV-INDMIFKZSA-N 2 0 357.502 0.922 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001489262647 1208702490 /nfs/dbraw/zinc/70/24/90/1208702490.db2.gz UFUJEBXJEFNWBE-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001489272029 1208749743 /nfs/dbraw/zinc/74/97/43/1208749743.db2.gz IGONOCBYCRCILY-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001489277209 1208755075 /nfs/dbraw/zinc/75/50/75/1208755075.db2.gz KEWHWTFPLWGRMR-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@H](O)CCN2Cc2ccccc2)C[NH2+]C1 ZINC001220827597 1225092480 /nfs/dbraw/zinc/09/24/80/1225092480.db2.gz UPZDRGWTRNCNAW-SJORKVTESA-N 2 0 359.426 0.158 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220831132 1225094866 /nfs/dbraw/zinc/09/48/66/1225094866.db2.gz PVSLIFCJUGKLSP-MSOLQXFVSA-N 2 0 361.486 0.667 20 0 FCADRP COC(=O)[C@@H](CNC(=O)C[NH2+]CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840318 1225100956 /nfs/dbraw/zinc/10/09/56/1225100956.db2.gz LSWVVHJFTXOETJ-HNNXBMFYSA-N 2 0 362.430 0.488 20 0 FCADRP [NH3+]CCN(CCNC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21)N(O)N=O ZINC001220901303 1225130069 /nfs/dbraw/zinc/13/00/69/1225130069.db2.gz WORJPUHWNRNIRU-MRXNPFEDSA-N 2 0 374.445 0.764 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220913560 1225136595 /nfs/dbraw/zinc/13/65/95/1225136595.db2.gz VMTGHYPMNIMETN-QGZVFWFLSA-N 3 0 362.474 0.620 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@]3(N)CCC[NH2+]C3)CC2)c1 ZINC001220913009 1225137325 /nfs/dbraw/zinc/13/73/25/1225137325.db2.gz FFICXXMSCLDPHQ-HXUWFJFHSA-N 2 0 374.485 0.635 20 0 FCADRP NC(=O)[C@@](O)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000851794377 1209520979 /nfs/dbraw/zinc/52/09/79/1209520979.db2.gz HBCPNURBQCTJLD-HXUWFJFHSA-N 2 0 361.486 0.936 20 0 FCADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852878523 1209572419 /nfs/dbraw/zinc/57/24/19/1209572419.db2.gz PNHGUAMTFFSMJC-ZDUSSCGKSA-N 2 0 371.445 0.534 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000852921352 1209578328 /nfs/dbraw/zinc/57/83/28/1209578328.db2.gz HURCRMITEROMHQ-RBUKOAKNSA-N 2 0 372.513 0.959 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853683407 1209602789 /nfs/dbraw/zinc/60/27/89/1209602789.db2.gz SDJBXRGUMMPMMU-RCCFBDPRSA-N 2 0 366.506 0.746 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c2ccncn2)CC1 ZINC001220940857 1225149767 /nfs/dbraw/zinc/14/97/67/1225149767.db2.gz IONCYHRKWVJDBM-BZUAXINKSA-N 3 0 358.490 0.954 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000857102771 1209742145 /nfs/dbraw/zinc/74/21/45/1209742145.db2.gz JUVOEIDTADDOLF-QOKNQOGYSA-N 2 0 364.490 0.086 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC([NH3+])(CC3CCC3)CC2)COC1(C)C ZINC001220972301 1225166881 /nfs/dbraw/zinc/16/68/81/1225166881.db2.gz CJGITOUIPIVQSI-ZFWWWQNUSA-N 2 0 366.506 0.807 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000861729847 1209877686 /nfs/dbraw/zinc/87/76/86/1209877686.db2.gz CLKDGKYKHYBTSF-HOCLYGCPSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000861760947 1209880707 /nfs/dbraw/zinc/88/07/07/1209880707.db2.gz RYYFPVKNKNHURY-YLJYHZDGSA-N 2 0 374.485 0.119 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986006 1225174209 /nfs/dbraw/zinc/17/42/09/1225174209.db2.gz OFTOYBQRMIWKKK-QRQLOZEOSA-N 2 0 361.486 0.625 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000863773991 1209951666 /nfs/dbraw/zinc/95/16/66/1209951666.db2.gz NLUZCWUXQLVTDT-OXQOHEQNSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1c(C(=O)NCC[NH+](C)C)cc2ccccc21 ZINC000864416384 1209959194 /nfs/dbraw/zinc/95/91/94/1209959194.db2.gz SIAXRYQZOFNJFD-UHFFFAOYSA-N 2 0 359.474 0.611 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982586 1225173091 /nfs/dbraw/zinc/17/30/91/1225173091.db2.gz IEPJHQFITWHWKP-KRWDZBQOSA-N 3 0 363.481 0.353 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)[C@H](F)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458284 1209996661 /nfs/dbraw/zinc/99/66/61/1209996661.db2.gz ZXUKTGURHNFPPY-MAKQCAJESA-N 2 0 366.481 0.807 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458286 1209996774 /nfs/dbraw/zinc/99/67/74/1209996774.db2.gz ZXUKTGURHNFPPY-WLZFUECHSA-N 2 0 366.481 0.807 20 0 FCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000866540864 1209997905 /nfs/dbraw/zinc/99/79/05/1209997905.db2.gz SFVQLDGNDKEIFD-FBHBFLDISA-N 2 0 366.481 0.522 20 0 FCADRP NC(=O)c1ccc(CC[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665749 1210001162 /nfs/dbraw/zinc/00/11/62/1210001162.db2.gz GECVQAQCNQPANM-ROUUACIJSA-N 2 0 371.485 0.548 20 0 FCADRP O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000866723161 1210005532 /nfs/dbraw/zinc/00/55/32/1210005532.db2.gz BPQCMKONWHVZKR-QZTJIDSGSA-N 2 0 364.534 0.964 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218088 1210044313 /nfs/dbraw/zinc/04/43/13/1210044313.db2.gz ZKGKYQOSIXCNFY-MSOLQXFVSA-N 2 0 374.489 0.210 20 0 FCADRP O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221031853 1225193114 /nfs/dbraw/zinc/19/31/14/1225193114.db2.gz USRYDXQMFJMJSG-IRXDYDNUSA-N 2 0 360.433 0.461 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875235953 1210355541 /nfs/dbraw/zinc/35/55/41/1210355541.db2.gz AFJUWSWBLICHLH-IAGOWNOFSA-N 2 0 366.506 0.603 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001221072965 1225209425 /nfs/dbraw/zinc/20/94/25/1225209425.db2.gz ABEAHDCQXBPSCL-MOPGFXCFSA-N 2 0 361.486 0.716 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001221073158 1225210035 /nfs/dbraw/zinc/21/00/35/1225210035.db2.gz IQXZHZAYGUBXMI-SJORKVTESA-N 2 0 366.506 0.036 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876777352 1210429082 /nfs/dbraw/zinc/42/90/82/1210429082.db2.gz VYNAPXMGBWLFOV-IAGOWNOFSA-N 2 0 361.490 0.910 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000876781528 1210430549 /nfs/dbraw/zinc/43/05/49/1210430549.db2.gz HWEXULWWCDBGRZ-NVXWUHKLSA-N 2 0 362.522 0.729 20 0 FCADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981906 1210436028 /nfs/dbraw/zinc/43/60/28/1210436028.db2.gz ZNDKTJSUFMPBHM-CKEIUWERSA-N 2 0 364.469 0.473 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000879592314 1210490983 /nfs/dbraw/zinc/49/09/83/1210490983.db2.gz JJEZLGJGGRLYCK-UHFFFAOYSA-N 2 0 373.501 0.826 20 0 FCADRP O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883083172 1210650483 /nfs/dbraw/zinc/65/04/83/1210650483.db2.gz CHMDZZASNNGRFN-GOSISDBHSA-N 2 0 367.538 0.568 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000883251143 1210660140 /nfs/dbraw/zinc/66/01/40/1210660140.db2.gz DOLHGPMVJGBUAM-SFHVURJKSA-N 3 0 360.506 0.987 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883299122 1210661515 /nfs/dbraw/zinc/66/15/15/1210661515.db2.gz LUFAGUWCESYKMP-UHFFFAOYSA-N 2 0 369.510 0.080 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000883604643 1210673544 /nfs/dbraw/zinc/67/35/44/1210673544.db2.gz BMMCECOVLFJLJI-NVXWUHKLSA-N 2 0 357.458 0.388 20 0 FCADRP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883605488 1210673550 /nfs/dbraw/zinc/67/35/50/1210673550.db2.gz VMISLHJYILCZCY-INIZCTEOSA-N 2 0 359.474 0.763 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883605617 1210673888 /nfs/dbraw/zinc/67/38/88/1210673888.db2.gz XZRRXMWXYRNRDD-YOEHRIQHSA-N 2 0 357.458 0.469 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883607106 1210674333 /nfs/dbraw/zinc/67/43/33/1210674333.db2.gz LGQQMKKKQGJMCH-YOEHRIQHSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883607104 1210674530 /nfs/dbraw/zinc/67/45/30/1210674530.db2.gz LGQQMKKKQGJMCH-RHSMWYFYSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883607103 1210674622 /nfs/dbraw/zinc/67/46/22/1210674622.db2.gz LGQQMKKKQGJMCH-PBHICJAKSA-N 2 0 359.474 0.621 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000883639215 1210677343 /nfs/dbraw/zinc/67/73/43/1210677343.db2.gz JJDDDSFXTYICFL-CALCHBBNSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883639734 1210677567 /nfs/dbraw/zinc/67/75/67/1210677567.db2.gz XHMVYQDXMBAISR-ATLSCFEFSA-N 2 0 371.485 0.705 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)[C@H]1C[NH3+] ZINC000883640425 1210677679 /nfs/dbraw/zinc/67/76/79/1210677679.db2.gz PIKNQSUBEONGMY-INMHGKMJSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883639395 1210677884 /nfs/dbraw/zinc/67/78/84/1210677884.db2.gz OGVWFVOZBFYTJO-HZPDHXFCSA-N 2 0 359.474 0.706 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221123871 1225230530 /nfs/dbraw/zinc/23/05/30/1225230530.db2.gz NIPRKSBZRKGACZ-MSOLQXFVSA-N 2 0 357.502 0.993 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884212900 1210724260 /nfs/dbraw/zinc/72/42/60/1210724260.db2.gz PFOFJOSTAFLVQU-UHFFFAOYSA-N 2 0 363.506 0.922 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884228248 1210724717 /nfs/dbraw/zinc/72/47/17/1210724717.db2.gz LZAXSNPDWCUPJR-UHFFFAOYSA-N 2 0 360.506 0.247 20 0 FCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884422985 1210734771 /nfs/dbraw/zinc/73/47/71/1210734771.db2.gz KIUZYAJPNXFSEG-GJZGRUSLSA-N 2 0 360.506 0.771 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884517419 1210742775 /nfs/dbraw/zinc/74/27/75/1210742775.db2.gz MVFATKCKUIHTLU-MSOLQXFVSA-N 2 0 371.485 0.515 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884516539 1210743241 /nfs/dbraw/zinc/74/32/41/1210743241.db2.gz MYBXBXDJCJZSQR-MRXNPFEDSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000884517865 1210743601 /nfs/dbraw/zinc/74/36/01/1210743601.db2.gz YFHAYPQBRAMIDD-CJNGLKHVSA-N 2 0 362.449 0.854 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884532973 1210745157 /nfs/dbraw/zinc/74/51/57/1210745157.db2.gz VWRYLQKFZDMBHY-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554231 1210748661 /nfs/dbraw/zinc/74/86/61/1210748661.db2.gz PJHVNFAOPMMSGK-SCLBCKFNSA-N 2 0 356.470 0.547 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000884553679 1210749320 /nfs/dbraw/zinc/74/93/20/1210749320.db2.gz FAROWOGXNIKZCI-XYPHTWIQSA-N 2 0 356.470 0.559 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884557089 1210750099 /nfs/dbraw/zinc/75/00/99/1210750099.db2.gz GRSSSLLGZFPKCY-QGZVFWFLSA-N 2 0 359.474 0.373 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000884578151 1210755633 /nfs/dbraw/zinc/75/56/33/1210755633.db2.gz UTMDZBWUVWUPPV-NJAFHUGGSA-N 2 0 373.501 0.039 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000884598024 1210758784 /nfs/dbraw/zinc/75/87/84/1210758784.db2.gz QZMAJBFANSZOSS-QGZVFWFLSA-N 2 0 367.538 0.121 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598320 1210758886 /nfs/dbraw/zinc/75/88/86/1210758886.db2.gz YGOWKOGRRCJZNI-GJZGRUSLSA-N 2 0 374.476 0.976 20 0 FCADRP CN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C1(C[NH3+])CCCCC1 ZINC000884597918 1210759160 /nfs/dbraw/zinc/75/91/60/1210759160.db2.gz ODBMUYPDLJLVQV-UHFFFAOYSA-N 2 0 367.538 0.250 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884603523 1210761003 /nfs/dbraw/zinc/76/10/03/1210761003.db2.gz LPPNHKXFHDGJJL-MSOLQXFVSA-N 2 0 374.485 0.044 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884616701 1210763315 /nfs/dbraw/zinc/76/33/15/1210763315.db2.gz ARMIJHRPGVMNSD-QZTJIDSGSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000884623358 1210764727 /nfs/dbraw/zinc/76/47/27/1210764727.db2.gz ANUUQTSZSOTSDH-KSSFIOAISA-N 2 0 356.470 0.584 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000884626796 1210765589 /nfs/dbraw/zinc/76/55/89/1210765589.db2.gz VINWIHDHHYCHRD-KURKYZTESA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884626961 1210765903 /nfs/dbraw/zinc/76/59/03/1210765903.db2.gz AASKFUNEXGHWIM-CQSZACIVSA-N 2 0 356.470 0.549 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000884669698 1210775919 /nfs/dbraw/zinc/77/59/19/1210775919.db2.gz DNAKBYOYJDOBHC-FGTMMUONSA-N 2 0 358.486 0.806 20 0 FCADRP CCc1ccc(CN2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000884675013 1210777203 /nfs/dbraw/zinc/77/72/03/1210777203.db2.gz PIKKJOQZDXXEHB-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000884674899 1210777329 /nfs/dbraw/zinc/77/73/29/1210777329.db2.gz LJLJYDUTAHJLIS-QGZVFWFLSA-N 2 0 355.442 0.856 20 0 FCADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000884678196 1210777958 /nfs/dbraw/zinc/77/79/58/1210777958.db2.gz RMSKONMRLSATKS-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884676763 1210778619 /nfs/dbraw/zinc/77/86/19/1210778619.db2.gz XGVJFOTWJVIDHW-FUHWJXTLSA-N 2 0 360.502 0.987 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884678699 1210779417 /nfs/dbraw/zinc/77/94/17/1210779417.db2.gz JRHZMJJEONBAEJ-OTWHNJEPSA-N 2 0 370.497 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884691625 1210782304 /nfs/dbraw/zinc/78/23/04/1210782304.db2.gz MTJPOVXIKKXZIQ-ZHALLVOQSA-N 2 0 372.513 0.987 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000884716608 1210787078 /nfs/dbraw/zinc/78/70/78/1210787078.db2.gz CWUXWPSBQNTYNR-BPQIPLTHSA-N 2 0 358.486 0.800 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884724658 1210789984 /nfs/dbraw/zinc/78/99/84/1210789984.db2.gz ZQKJUPWWRDIYIN-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884742402 1210792750 /nfs/dbraw/zinc/79/27/50/1210792750.db2.gz SFTZQVFNWWVPCR-SFHVURJKSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884775018 1210793358 /nfs/dbraw/zinc/79/33/58/1210793358.db2.gz WNCLGSBFZYYDID-JONQDZQNSA-N 2 0 368.522 0.495 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884807936 1210797596 /nfs/dbraw/zinc/79/75/96/1210797596.db2.gz LBGIZFRRFWGHFG-UHFFFAOYSA-N 2 0 366.506 0.478 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)cc1 ZINC000884820754 1210798516 /nfs/dbraw/zinc/79/85/16/1210798516.db2.gz WGLBQEHCTGMQCF-QGZVFWFLSA-N 2 0 362.474 0.167 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884816061 1210798791 /nfs/dbraw/zinc/79/87/91/1210798791.db2.gz UNCBCQOXTVQRKP-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)C2)cc1 ZINC000884819633 1210798911 /nfs/dbraw/zinc/79/89/11/1210798911.db2.gz HULVSQOGDWDURR-NJAFHUGGSA-N 2 0 358.486 0.942 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884833585 1210800573 /nfs/dbraw/zinc/80/05/73/1210800573.db2.gz MMRVDYPUZXWAJT-YTQUADARSA-N 2 0 372.513 0.939 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000884837832 1210800772 /nfs/dbraw/zinc/80/07/72/1210800772.db2.gz LLMVHAOCVIIHHD-FUHWJXTLSA-N 2 0 356.470 0.501 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850764 1210801583 /nfs/dbraw/zinc/80/15/83/1210801583.db2.gz AAWQRIMKNFALPP-PKOBYXMFSA-N 2 0 370.497 0.891 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@@H](C)O1 ZINC000884878570 1210802683 /nfs/dbraw/zinc/80/26/83/1210802683.db2.gz ALSQXMXGIVZIBT-BZUAXINKSA-N 2 0 368.522 0.496 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884890121 1210802987 /nfs/dbraw/zinc/80/29/87/1210802987.db2.gz PZNMSZCNNRXFIK-QZTJIDSGSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908491 1210803505 /nfs/dbraw/zinc/80/35/05/1210803505.db2.gz RLPOKYIJEOMOCN-JYJNAYRXSA-N 2 0 359.474 0.752 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000884982709 1210806570 /nfs/dbraw/zinc/80/65/70/1210806570.db2.gz IRRSODWRYLVQTA-QGZVFWFLSA-N 2 0 362.474 0.119 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884982906 1210806612 /nfs/dbraw/zinc/80/66/12/1210806612.db2.gz LKLZHGLWZFMMFJ-BPQIPLTHSA-N 2 0 374.485 0.260 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000884983466 1210806836 /nfs/dbraw/zinc/80/68/36/1210806836.db2.gz SHVVYRIVTKXBBA-XLIONFOSSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884983433 1210806903 /nfs/dbraw/zinc/80/69/03/1210806903.db2.gz RCXJSTDIBYQXCG-QZTJIDSGSA-N 2 0 358.486 0.896 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007141 1210807829 /nfs/dbraw/zinc/80/78/29/1210807829.db2.gz FZLWVORISHAHKG-YYIAUSFCSA-N 2 0 366.506 0.202 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138044 1210811878 /nfs/dbraw/zinc/81/18/78/1210811878.db2.gz ONNVMCOERNVFOW-INIZCTEOSA-N 2 0 366.506 0.206 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885144092 1210812042 /nfs/dbraw/zinc/81/20/42/1210812042.db2.gz YTTXDHMVUUUDLK-HOTGVXAUSA-N 2 0 366.506 0.204 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149068 1210812647 /nfs/dbraw/zinc/81/26/47/1210812647.db2.gz WNTAHNSJWRZTID-CVEARBPZSA-N 2 0 366.506 0.062 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000885156031 1210813439 /nfs/dbraw/zinc/81/34/39/1210813439.db2.gz JHMZDWSHNCUABA-RTBURBONSA-N 2 0 370.497 0.904 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885154284 1210813509 /nfs/dbraw/zinc/81/35/09/1210813509.db2.gz SFBXBZHFCHQCLW-KRWDZBQOSA-N 2 0 358.486 0.760 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885154285 1210813709 /nfs/dbraw/zinc/81/37/09/1210813709.db2.gz SFBXBZHFCHQCLW-QGZVFWFLSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885162596 1210813975 /nfs/dbraw/zinc/81/39/75/1210813975.db2.gz OWYMJWQGYCOJDM-GOSISDBHSA-N 2 0 358.486 0.806 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885161206 1210814085 /nfs/dbraw/zinc/81/40/85/1210814085.db2.gz CMAJMLROWYYRBJ-GOSISDBHSA-N 2 0 370.497 0.904 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000885280418 1210817199 /nfs/dbraw/zinc/81/71/99/1210817199.db2.gz OUJRFNFDIFYVBW-CABCVRRESA-N 2 0 372.460 0.538 20 0 FCADRP C[NH+](CCN1CCOCC1)[C@H]1CC[C@H]([N@H+](C)CCN2CCOCC2)CC1 ZINC000886391990 1210829042 /nfs/dbraw/zinc/82/90/42/1210829042.db2.gz MRKDDEWFBMTEGR-MXVIHJGJSA-N 2 0 368.566 0.826 20 0 FCADRP CON(C)C(=O)CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCC(=O)N(C)OC)CC1 ZINC000886389707 1210829114 /nfs/dbraw/zinc/82/91/14/1210829114.db2.gz UYVLATZHXIAASN-WKILWMFISA-N 2 0 372.510 0.981 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2[NH2+]CCCO)cn1 ZINC001691712316 1210840084 /nfs/dbraw/zinc/84/00/84/1210840084.db2.gz OEXFZMIAAUJNDW-ZWKOTPCHSA-N 2 0 363.506 0.563 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887091741 1210847073 /nfs/dbraw/zinc/84/70/73/1210847073.db2.gz UYJXYRUFFIQOBT-PMPSAXMXSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000887091644 1210847089 /nfs/dbraw/zinc/84/70/89/1210847089.db2.gz QQDHDTFULUVGMC-MXSMSXNCSA-N 2 0 371.485 0.705 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001274194111 1210907606 /nfs/dbraw/zinc/90/76/06/1210907606.db2.gz BOSVGXDSZSELPO-JXXFODFXSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001274195161 1210908017 /nfs/dbraw/zinc/90/80/17/1210908017.db2.gz NAGMVYZPYQXZNE-YRNRMSPPSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000887939946 1210921150 /nfs/dbraw/zinc/92/11/50/1210921150.db2.gz AVTYSXBCYFAYMC-OZSVIZEDSA-N 2 0 374.529 0.443 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)n2)CC1 ZINC000889764800 1210949304 /nfs/dbraw/zinc/94/93/04/1210949304.db2.gz YKEJTLCODGQOEL-ROUUACIJSA-N 2 0 373.501 0.505 20 0 FCADRP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830506 1210986519 /nfs/dbraw/zinc/98/65/19/1210986519.db2.gz FQWFPFKVQAYHIQ-COXLTSFISA-N 2 0 363.502 0.996 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397060 1211044388 /nfs/dbraw/zinc/04/43/88/1211044388.db2.gz MQYRGYBELHXPNU-ICSRJNTNSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1 ZINC001274399593 1211045314 /nfs/dbraw/zinc/04/53/14/1211045314.db2.gz CTHFQNNTOZHKSO-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001274408799 1211046059 /nfs/dbraw/zinc/04/60/59/1211046059.db2.gz QWKTVQOPXQDFTH-IBGZPJMESA-N 2 0 364.534 0.870 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@H]2C[NH2+]CCN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184342 1225259107 /nfs/dbraw/zinc/25/91/07/1225259107.db2.gz UHEGMRNRAPJHOF-KZNAEPCWSA-N 2 0 374.485 0.633 20 0 FCADRP Cn1cncc1CN1CC[C@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152684 1211182136 /nfs/dbraw/zinc/18/21/36/1211182136.db2.gz NVCIYVWFAXPRRU-DNVCBOLYSA-N 2 0 359.474 0.903 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275178535 1211191253 /nfs/dbraw/zinc/19/12/53/1211191253.db2.gz XKROLYCFQCDFMD-QGZVFWFLSA-N 2 0 360.506 0.053 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CC3(CCN3C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001275221657 1211198880 /nfs/dbraw/zinc/19/88/80/1211198880.db2.gz NLPAQHCSULRISV-BBWFWOEESA-N 2 0 360.502 0.624 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cnc(C)n3C)C2)C1=O ZINC001275391929 1211229833 /nfs/dbraw/zinc/22/98/33/1211229833.db2.gz BTCLJBLFCOQAKD-SFHVURJKSA-N 2 0 361.446 0.206 20 0 FCADRP O=C1C[C@@]2(CCCN(Cc3ncccn3)C2)C(=O)N1CCn1ccnc1 ZINC001275428867 1211235136 /nfs/dbraw/zinc/23/51/36/1211235136.db2.gz DACRARAHAFTIRM-GOSISDBHSA-N 2 0 354.414 0.714 20 0 FCADRP O=C1C[C@]2(CCC[N@H+](Cc3cnccn3)C2)C(=O)N1CCn1ccnc1 ZINC001275472672 1211247043 /nfs/dbraw/zinc/24/70/43/1211247043.db2.gz PRULGRQASGLHJM-SFHVURJKSA-N 2 0 354.414 0.714 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511562 1211252470 /nfs/dbraw/zinc/25/24/70/1211252470.db2.gz KGAUJLFQSVXCMC-IBGZPJMESA-N 2 0 368.522 0.402 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510891 1211252845 /nfs/dbraw/zinc/25/28/45/1211252845.db2.gz AYAYOHFKQRZYSY-KXBFYZLASA-N 2 0 369.506 0.687 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](CC(C)(C)N1CCOCC1)CC2 ZINC001275515183 1211253600 /nfs/dbraw/zinc/25/36/00/1211253600.db2.gz IFCIUCIWFFCVOW-QGZVFWFLSA-N 2 0 366.550 0.877 20 0 FCADRP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556004 1211255992 /nfs/dbraw/zinc/25/59/92/1211255992.db2.gz GLMSRAUYAITNSY-DNVCBOLYSA-N 2 0 364.490 0.433 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556953 1211256377 /nfs/dbraw/zinc/25/63/77/1211256377.db2.gz QXHKOCVEHTZZLP-APWZRJJASA-N 2 0 367.490 0.583 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556930 1211256456 /nfs/dbraw/zinc/25/64/56/1211256456.db2.gz QQURYTGUEXGYHA-HNAYVOBHSA-N 2 0 367.490 0.441 20 0 FCADRP COCCOCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275557010 1211256994 /nfs/dbraw/zinc/25/69/94/1211256994.db2.gz SAVCBOZQHQRBBO-LJQANCHMSA-N 2 0 369.506 0.500 20 0 FCADRP COc1cc(O)ccc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275704670 1211273843 /nfs/dbraw/zinc/27/38/43/1211273843.db2.gz VDMNLDFJQDGCRF-LJQANCHMSA-N 2 0 363.458 0.766 20 0 FCADRP O=C1C[C@@]2(CN1Cc1ncccn1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737528 1211278873 /nfs/dbraw/zinc/27/88/73/1211278873.db2.gz LBEFWIHFOBZRKY-LJQANCHMSA-N 2 0 359.474 0.527 20 0 FCADRP O=C1CC[C@H](CN2CC[C@@]3(CCC[N@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737638 1211279116 /nfs/dbraw/zinc/27/91/16/1211279116.db2.gz MTTHSEMHRJDNGB-XLIONFOSSA-N 2 0 362.518 0.969 20 0 FCADRP C[NH+]1CCC(C)(CN2CC3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275833794 1211293998 /nfs/dbraw/zinc/29/39/98/1211293998.db2.gz QAVASLJWROKBPC-UHFFFAOYSA-N 2 0 359.474 0.622 20 0 FCADRP N[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221237008 1225276638 /nfs/dbraw/zinc/27/66/38/1225276638.db2.gz MHSUZVCIRGVCDO-ZWKOTPCHSA-N 2 0 368.437 0.072 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H]3C(=O)NC[C@H]3CCC(=O)N3)CC2)C1 ZINC001275881342 1211305315 /nfs/dbraw/zinc/30/53/15/1211305315.db2.gz ZDEWWEFCKUTTIS-BBWFWOEESA-N 2 0 362.518 0.825 20 0 FCADRP COCCOCN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275878825 1211305712 /nfs/dbraw/zinc/30/57/12/1211305712.db2.gz LYGKWEMZNWUHJF-PKOBYXMFSA-N 2 0 369.506 0.500 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275893002 1211307305 /nfs/dbraw/zinc/30/73/05/1211307305.db2.gz NSIKFCRGSGJHFH-LJQANCHMSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CC3C(=O)N=CNC3=O)CC2)C1=O ZINC001275896280 1211308382 /nfs/dbraw/zinc/30/83/82/1211308382.db2.gz XAQXCLILDHDUNA-SFHVURJKSA-N 2 0 363.462 0.654 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4ncccc34)C2)OCC1=O ZINC001275932345 1211311926 /nfs/dbraw/zinc/31/19/26/1211311926.db2.gz CZZPDIQZLSHIBZ-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)n1 ZINC001095432275 1211334842 /nfs/dbraw/zinc/33/48/42/1211334842.db2.gz YURSSBGWBGLXDL-PVAVHDDUSA-N 2 0 372.477 0.072 20 0 FCADRP COC(=O)c1cnc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001276112324 1211358423 /nfs/dbraw/zinc/35/84/23/1211358423.db2.gz SRMYSZGPHMHCMW-GOSISDBHSA-N 2 0 361.446 0.249 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3cc4c(cn3)OCCO4)C2)C1=O ZINC001276233235 1211385779 /nfs/dbraw/zinc/38/57/79/1211385779.db2.gz INFAWOYAMICYRB-IBGZPJMESA-N 2 0 360.458 0.839 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCCc2nccn21 ZINC001095531765 1211397932 /nfs/dbraw/zinc/39/79/32/1211397932.db2.gz QZAYBDPYZZZOSD-UGUYLWEFSA-N 2 0 372.473 0.507 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@@]3(O)CC[N@H+](C)C3)CCCC2)CC1 ZINC000545176903 1211414281 /nfs/dbraw/zinc/41/42/81/1211414281.db2.gz QZNFUXQMJVNTCQ-IBGZPJMESA-N 2 0 368.522 0.776 20 0 FCADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924628612 1211475700 /nfs/dbraw/zinc/47/57/00/1211475700.db2.gz KRFOSUBHIBOMDF-CYBMUJFWSA-N 2 0 359.474 0.893 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000924657394 1211476164 /nfs/dbraw/zinc/47/61/64/1211476164.db2.gz BPOJYLNWTRFDOT-KRWDZBQOSA-N 2 0 374.489 0.596 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924662892 1211476997 /nfs/dbraw/zinc/47/69/97/1211476997.db2.gz RUNAKHFQXSNJEF-AWEZNQCLSA-N 2 0 359.474 0.895 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926393357 1211545189 /nfs/dbraw/zinc/54/51/89/1211545189.db2.gz DGCZNIJHZDSQCT-OALUTQOASA-N 2 0 372.513 0.959 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000926596588 1211551620 /nfs/dbraw/zinc/55/16/20/1211551620.db2.gz UMSRIQNJQDFRKG-KRWDZBQOSA-N 2 0 358.486 0.998 20 0 FCADRP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[NH+]2C)c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556213 1211604614 /nfs/dbraw/zinc/60/46/14/1211604614.db2.gz NQSYADBTCYWZGE-LSDHHAIUSA-N 2 0 361.490 0.130 20 0 FCADRP C[NH+]1CC[C@@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000928559678 1211605582 /nfs/dbraw/zinc/60/55/82/1211605582.db2.gz MEWXWKWBKWOTRG-QZTJIDSGSA-N 2 0 358.486 0.412 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)c2cccnc2N2CC[NH2+]CC2)c1 ZINC001221402492 1225306475 /nfs/dbraw/zinc/30/64/75/1225306475.db2.gz BMELEVDZNHZKMQ-KRWDZBQOSA-N 2 0 355.442 0.930 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000929410619 1211637657 /nfs/dbraw/zinc/63/76/57/1211637657.db2.gz CYEGJRZNPXJYMB-GOSISDBHSA-N 2 0 373.501 0.135 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H](c1ccccc1)c1cccnn1 ZINC001221384382 1225304384 /nfs/dbraw/zinc/30/43/84/1225304384.db2.gz DQHXNJQUDSALIX-SJLPKXTDSA-N 2 0 354.458 0.433 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)C3CCN([C@H]4CC[NH2+]C4)CC3)CC2)[NH2+]C1 ZINC001221391890 1225305255 /nfs/dbraw/zinc/30/52/55/1225305255.db2.gz HDOKWMFKCZYPJU-SFHVURJKSA-N 2 0 359.518 0.629 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001221410884 1225307299 /nfs/dbraw/zinc/30/72/99/1225307299.db2.gz SKPYNUPMMRCHDU-WRWLIDTKSA-N 2 0 354.454 0.600 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485908 1211757454 /nfs/dbraw/zinc/75/74/54/1211757454.db2.gz SGOZEJIESFRXTI-HNNXBMFYSA-N 2 0 368.474 0.832 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931485196 1211757564 /nfs/dbraw/zinc/75/75/64/1211757564.db2.gz AATPQGDWSSXATD-HZPDHXFCSA-N 2 0 369.506 0.565 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000931611965 1211763715 /nfs/dbraw/zinc/76/37/15/1211763715.db2.gz OQWULDSIUXYUOL-UHFFFAOYSA-N 2 0 359.474 0.851 20 0 FCADRP CCN1CCN(C(=O)CC2CCN(CN3C[C@H](OC)CC3=O)CC2)CC1 ZINC000189129202 1212151008 /nfs/dbraw/zinc/15/10/08/1212151008.db2.gz YLHMXPYAPWWYKJ-QGZVFWFLSA-N 2 0 366.506 0.457 20 0 FCADRP C[C@H](NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111281355 1212233375 /nfs/dbraw/zinc/23/33/75/1212233375.db2.gz OKPYJZOFBJWPEZ-SVGFKBNWSA-N 2 0 366.506 0.201 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282410 1212236070 /nfs/dbraw/zinc/23/60/70/1212236070.db2.gz OPAHWOXVKUCNBT-TVFCKZIOSA-N 2 0 365.518 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000949185327 1212317254 /nfs/dbraw/zinc/31/72/54/1212317254.db2.gz ZIZGKGIDYZLFKR-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559720 1225366799 /nfs/dbraw/zinc/36/67/99/1225366799.db2.gz NAYJDJZNDMNOPZ-JFIYKMOQSA-N 2 0 363.506 0.752 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)CC[N@@H+]1C ZINC001007524094 1212516698 /nfs/dbraw/zinc/51/66/98/1212516698.db2.gz HPGCQDAQZHGJHQ-YZLZLFLDSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001111307628 1212530537 /nfs/dbraw/zinc/53/05/37/1212530537.db2.gz OCLYFJNUBGGBNL-TVFCKZIOSA-N 2 0 371.522 0.464 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001007701854 1212558158 /nfs/dbraw/zinc/55/81/58/1212558158.db2.gz NEBKJWBKQWWMIZ-UWVAXJGDSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ncc(F)cn3)CC2)CC[N@@H+]1C ZINC001111323558 1212643407 /nfs/dbraw/zinc/64/34/07/1212643407.db2.gz JCAQXBSCJVVEIY-CZUORRHYSA-N 2 0 364.469 0.948 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000951420808 1212825386 /nfs/dbraw/zinc/82/53/86/1212825386.db2.gz AJUVDPBHGPVOSB-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)Cc2ncc[nH]2)CC[N@@H+]1C ZINC000952724204 1212973835 /nfs/dbraw/zinc/97/38/35/1212973835.db2.gz KYAAQVCBAYOCJH-LVQVYYBASA-N 2 0 359.474 0.884 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2cccnc2)C1 ZINC001111405811 1212992387 /nfs/dbraw/zinc/99/23/87/1212992387.db2.gz FOXGVTVXAIKOOO-MLHJIOFPSA-N 2 0 371.485 0.371 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000953977286 1213029503 /nfs/dbraw/zinc/02/95/03/1213029503.db2.gz OFWSVUPZDGUJBG-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000957012488 1213230836 /nfs/dbraw/zinc/23/08/36/1213230836.db2.gz INZPMKNREFWPNT-GPMSIDNRSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000957091558 1213249711 /nfs/dbraw/zinc/24/97/11/1213249711.db2.gz BRRFYCCMVMNMQF-FRFSOERESA-N 2 0 359.474 0.819 20 0 FCADRP COCOCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276310632 1213384759 /nfs/dbraw/zinc/38/47/59/1213384759.db2.gz AAIWUUNVLBKCAX-GOSISDBHSA-N 2 0 364.446 0.735 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[N@@H+]1C ZINC000959971781 1213566137 /nfs/dbraw/zinc/56/61/37/1213566137.db2.gz GFPXLOCRHPCQED-FUEZWAHWSA-N 2 0 356.470 0.672 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4nc(C)nc4C)C[C@H]32)CC[N@@H+]1C ZINC000959987158 1213572089 /nfs/dbraw/zinc/57/20/89/1213572089.db2.gz VWRNZANLAPPSSL-QXDIGNSFSA-N 2 0 360.506 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N(C)C2CC2)CC3)CC[N@@H+]1C ZINC001016631740 1214024543 /nfs/dbraw/zinc/02/45/43/1214024543.db2.gz CMNWXUIPZDRBFW-OIISXLGYSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000419401055 1214178963 /nfs/dbraw/zinc/17/89/63/1214178963.db2.gz AIPBQRKDACKGAS-QFBILLFUSA-N 2 0 362.449 0.899 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[NH+]2C)C3)CC[N@@H+]1C ZINC001019071758 1214191638 /nfs/dbraw/zinc/19/16/38/1214191638.db2.gz ZCWIUOBFKNWFSA-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[NH+]2C)C3)CC[N@@H+]1C ZINC001019071757 1214192011 /nfs/dbraw/zinc/19/20/11/1214192011.db2.gz ZCWIUOBFKNWFSA-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961664447 1214260889 /nfs/dbraw/zinc/26/08/89/1214260889.db2.gz ANDAVIHNMJGZLS-IGKNDFSCSA-N 2 0 362.518 0.728 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221944974 1225545006 /nfs/dbraw/zinc/54/50/06/1225545006.db2.gz CUSDTHUZTWDCAS-KZNAEPCWSA-N 2 0 366.506 0.014 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949592 1225548508 /nfs/dbraw/zinc/54/85/08/1225548508.db2.gz CNRAJRAOPJOWMB-KZNAEPCWSA-N 2 0 363.502 0.811 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221950341 1225549369 /nfs/dbraw/zinc/54/93/69/1225549369.db2.gz CQOWXNUKCXOCDI-GVDBMIGSSA-N 2 0 366.506 0.014 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC000963338134 1214798109 /nfs/dbraw/zinc/79/81/09/1214798109.db2.gz QREZBLWFLVDSCQ-SSHXOBKSSA-N 2 0 363.510 0.800 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001055650233 1215898577 /nfs/dbraw/zinc/89/85/77/1215898577.db2.gz OWLKLRMIJADOOZ-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342864 1216037189 /nfs/dbraw/zinc/03/71/89/1216037189.db2.gz QJKNTELQFIOCMT-CEXWTWQISA-N 2 0 370.497 0.753 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]21 ZINC001222891634 1225663434 /nfs/dbraw/zinc/66/34/34/1225663434.db2.gz HJLUKRJBLCKRAR-FGTMMUONSA-N 2 0 363.506 0.773 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057587206 1216362705 /nfs/dbraw/zinc/36/27/05/1216362705.db2.gz AEAHUNSEBIJPQU-ZACQAIPSSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276850824 1225668226 /nfs/dbraw/zinc/66/82/26/1225668226.db2.gz GPLVNQCSCXIOOT-ICSRJNTNSA-N 2 0 366.550 0.973 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CCN(CC(=O)NCCCOC)[C@H]2C1)[NH+](C)C ZINC001222959061 1225670234 /nfs/dbraw/zinc/67/02/34/1225670234.db2.gz KACRNBCVWGUZQE-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)CC[N@@H+]1C ZINC001051622150 1216466714 /nfs/dbraw/zinc/46/67/14/1216466714.db2.gz NWWSLQMACMCZGK-DJIMGWMZSA-N 2 0 362.474 0.043 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001058038698 1216623666 /nfs/dbraw/zinc/62/36/66/1216623666.db2.gz DNPAMZQYXOPFJY-GVDBMIGSSA-N 2 0 368.522 0.138 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150520 1225683920 /nfs/dbraw/zinc/68/39/20/1225683920.db2.gz BCRQTXVJFXBUMC-QGRXYFRJSA-N 2 0 363.502 0.809 20 0 FCADRP CCOCC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C[C@@H]2C(=O)OCC ZINC001276874012 1225692314 /nfs/dbraw/zinc/69/23/14/1225692314.db2.gz BJTYZJXRKRZZST-MRXNPFEDSA-N 2 0 369.506 0.688 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068884223 1216764791 /nfs/dbraw/zinc/76/47/91/1216764791.db2.gz BRAOEFGBUFTWPD-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068901433 1216766915 /nfs/dbraw/zinc/76/69/15/1216766915.db2.gz IVBAYDBQULKBPR-BZUAXINKSA-N 2 0 366.506 0.153 20 0 FCADRP COCCOC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248361 1225694471 /nfs/dbraw/zinc/69/44/71/1225694471.db2.gz JFQUQPKHMKMYOC-BPQIPLTHSA-N 2 0 371.522 0.179 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)CC1 ZINC001223387810 1225701961 /nfs/dbraw/zinc/70/19/61/1225701961.db2.gz OHFJVZMXBCOACY-WBVHZDCISA-N 2 0 362.518 0.777 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046575 1216921025 /nfs/dbraw/zinc/92/10/25/1216921025.db2.gz FCXZVUHHYZPQSM-UAGQMJEPSA-N 2 0 364.494 0.386 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393660 1225703127 /nfs/dbraw/zinc/70/31/27/1225703127.db2.gz QYOPWNFSCSFYPV-KURKYZTESA-N 2 0 371.522 0.275 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223499963 1225710668 /nfs/dbraw/zinc/71/06/68/1225710668.db2.gz OXIURJUZJIJKPX-JZXOWHBKSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223727037 1225730484 /nfs/dbraw/zinc/73/04/84/1225730484.db2.gz UPWNIRXURRLUMK-SJORKVTESA-N 2 0 367.538 0.959 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246082 1225767898 /nfs/dbraw/zinc/76/78/98/1225767898.db2.gz UEASENZNZJVJPE-SQNIBIBYSA-N 2 0 371.522 0.273 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961145 1225770996 /nfs/dbraw/zinc/77/09/96/1225770996.db2.gz ZJZFRSLROQJCEQ-AZUAARDMSA-N 2 0 366.550 0.709 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001045445037 1217929892 /nfs/dbraw/zinc/92/98/92/1217929892.db2.gz QAUGSDVAIDRATH-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](C)CO)CC2 ZINC001276974419 1225780564 /nfs/dbraw/zinc/78/05/64/1225780564.db2.gz SBRNFAAJVCUGHW-JKSUJKDBSA-N 2 0 369.506 0.280 20 0 FCADRP C[NH+]1CCC(NC(=O)c2cnc(C(=O)NC3CC[NH+](C)CC3)cn2)CC1 ZINC000900002753 1217953154 /nfs/dbraw/zinc/95/31/54/1217953154.db2.gz YULDFTHRWXYJQC-UHFFFAOYSA-N 2 0 360.462 0.125 20 0 FCADRP C[NH+](CCNC(=O)c1cnc(C(=O)NCC[N@@H+](C)C2CC2)cn1)C1CC1 ZINC000900367867 1217983286 /nfs/dbraw/zinc/98/32/86/1217983286.db2.gz XGASTJWIFGRRAP-UHFFFAOYSA-N 2 0 360.462 0.125 20 0 FCADRP CCOC(=O)[C@H]1CCCN(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000900586888 1218009209 /nfs/dbraw/zinc/00/92/09/1218009209.db2.gz SGXSOXKABAZSHZ-DLBZAZTESA-N 2 0 369.506 0.831 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000900586889 1218009507 /nfs/dbraw/zinc/00/95/07/1218009507.db2.gz SGXSOXKABAZSHZ-IAGOWNOFSA-N 2 0 369.506 0.831 20 0 FCADRP CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1=O ZINC000900674641 1218022110 /nfs/dbraw/zinc/02/21/10/1218022110.db2.gz LGIKRNHJDGWQEO-OAHLLOKOSA-N 2 0 362.474 0.366 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000900693426 1218025442 /nfs/dbraw/zinc/02/54/42/1218025442.db2.gz RYBXRXHDTQHCFZ-UHFFFAOYSA-N 2 0 367.582 0.887 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000901067089 1218073144 /nfs/dbraw/zinc/07/31/44/1218073144.db2.gz HWICRXKGGOYJCZ-GOSISDBHSA-N 2 0 371.485 0.594 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(Cc3cccc4c[nH+]cn43)C[C@@]2(F)C1=O ZINC001277041352 1225810445 /nfs/dbraw/zinc/81/04/45/1225810445.db2.gz HAZZFKOGWCVFGH-ZWKOTPCHSA-N 2 0 363.412 0.970 20 0 FCADRP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cn(C)nn1 ZINC000902865347 1218320323 /nfs/dbraw/zinc/32/03/23/1218320323.db2.gz JYKKAJHNIZWYMK-GJZGRUSLSA-N 2 0 372.477 0.761 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCc5ncnn54)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829136 1218322347 /nfs/dbraw/zinc/32/23/47/1218322347.db2.gz IMAOPJQQHCHCTD-NQNKBUKLSA-N 2 0 358.490 0.496 20 0 FCADRP C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507114 1218431315 /nfs/dbraw/zinc/43/13/15/1218431315.db2.gz NLHYGVQKAZLCHH-YUELXQCFSA-N 2 0 360.510 0.481 20 0 FCADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733528 1218509875 /nfs/dbraw/zinc/50/98/75/1218509875.db2.gz NFISMQHLRMBULU-KBXCAEBGSA-N 2 0 357.462 0.254 20 0 FCADRP O=C(CN1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903734349 1218510838 /nfs/dbraw/zinc/51/08/38/1218510838.db2.gz XSHRVPIKKVWBHT-GOSISDBHSA-N 2 0 364.534 0.775 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC000903777823 1218523111 /nfs/dbraw/zinc/52/31/11/1218523111.db2.gz DBQURFCAYGQIAW-KUHUBIRLSA-N 2 0 357.458 0.506 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001097079659 1218683380 /nfs/dbraw/zinc/68/33/80/1218683380.db2.gz MOCPZYKGGJKALS-TVFCKZIOSA-N 2 0 360.502 0.672 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCOC2)n1 ZINC001097095953 1218687374 /nfs/dbraw/zinc/68/73/74/1218687374.db2.gz ZICXCOHLKXBCQN-AHCXZYCDSA-N 2 0 361.490 0.816 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097210271 1218720579 /nfs/dbraw/zinc/72/05/79/1218720579.db2.gz SVBHCLULYVLYMA-MLHJIOFPSA-N 2 0 360.506 0.978 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001226613426 1225849032 /nfs/dbraw/zinc/84/90/32/1225849032.db2.gz HOISGQLJPNGNPF-KFWWJZLASA-N 2 0 367.494 0.333 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851613 1218851403 /nfs/dbraw/zinc/85/14/03/1218851403.db2.gz GXEPCMPJMOOVCZ-DDBAPUKQSA-N 2 0 358.486 0.949 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CCN(CCO)CC2)CC[N@@H+]1C ZINC001052990078 1218870186 /nfs/dbraw/zinc/87/01/86/1218870186.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 2 0 364.534 0.459 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001226889724 1225857343 /nfs/dbraw/zinc/85/73/43/1225857343.db2.gz BFBRVOIZLBBKRM-RRFJBIMHSA-N 2 0 364.494 0.500 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)O1 ZINC001227028578 1225861138 /nfs/dbraw/zinc/86/11/38/1225861138.db2.gz IPGXXIIKTBFAQZ-KLHDSHLOSA-N 2 0 368.522 0.637 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804051827 1219105113 /nfs/dbraw/zinc/10/51/13/1219105113.db2.gz VUVNAEAGPCRINK-IXDOHACOSA-N 2 0 366.506 0.060 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000804058139 1219111803 /nfs/dbraw/zinc/11/18/03/1219111803.db2.gz SZBIUWBOELAWBT-GVDBMIGSSA-N 2 0 364.490 0.053 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057410 1219112513 /nfs/dbraw/zinc/11/25/13/1219112513.db2.gz PKMXNGKIKUSYCS-BBWFWOEESA-N 2 0 366.506 0.156 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059496 1219115150 /nfs/dbraw/zinc/11/51/50/1219115150.db2.gz IUNNTWTYGONNEJ-GVDBMIGSSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061172 1219118442 /nfs/dbraw/zinc/11/84/42/1219118442.db2.gz RURNQRWAGRSWHE-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097221 1219169489 /nfs/dbraw/zinc/16/94/89/1219169489.db2.gz HSURIRXMZBTYOU-ZNMIVQPWSA-N 2 0 368.432 0.617 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070133791 1219209416 /nfs/dbraw/zinc/20/94/16/1219209416.db2.gz OXQXZFPAHFHYSW-HZPDHXFCSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217573 1219299457 /nfs/dbraw/zinc/29/94/57/1219299457.db2.gz IZNKUCXWOWVDAC-KURKYZTESA-N 2 0 371.489 0.863 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227704487 1225882088 /nfs/dbraw/zinc/88/20/88/1225882088.db2.gz ZYZIRPFGMFGUQU-FMKPAKJESA-N 2 0 365.478 0.073 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCC[NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC001070223123 1219304460 /nfs/dbraw/zinc/30/44/60/1219304460.db2.gz BLYOZCZAQGRXNE-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070241412 1219313206 /nfs/dbraw/zinc/31/32/06/1219313206.db2.gz DUKYDLJKXMPPQA-FGTMMUONSA-N 2 0 358.490 0.904 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070250443 1219320136 /nfs/dbraw/zinc/32/01/36/1219320136.db2.gz OTCQNZDLINRKHV-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070312194 1219368695 /nfs/dbraw/zinc/36/86/95/1219368695.db2.gz DABYAYCUOOGIAO-WBVHZDCISA-N 2 0 355.446 0.804 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC001070355449 1219392516 /nfs/dbraw/zinc/39/25/16/1219392516.db2.gz AWKYANMPNUAIBD-AJNGGQMLSA-N 2 0 364.494 0.633 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070382762 1219407603 /nfs/dbraw/zinc/40/76/03/1219407603.db2.gz PJHRGRSPCVOWQF-XLIONFOSSA-N 2 0 362.518 0.968 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070493010 1219438194 /nfs/dbraw/zinc/43/81/94/1219438194.db2.gz DTOQWRQVYHJOQF-DOTOQJQBSA-N 2 0 363.506 0.561 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515686 1219448902 /nfs/dbraw/zinc/44/89/02/1219448902.db2.gz QAHSGOBMHULZOO-SYPMSLAUSA-N 2 0 359.474 0.187 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277276521 1225898637 /nfs/dbraw/zinc/89/86/37/1225898637.db2.gz CNTDZQPBSYJHIV-IBGZPJMESA-N 2 0 360.458 0.854 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746582 1219621056 /nfs/dbraw/zinc/62/10/56/1219621056.db2.gz VIPUJCLDVUKFDM-NXHRZFHOSA-N 2 0 365.518 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C2CC2)C3)CC[N@@H+]1C ZINC001072755073 1219621764 /nfs/dbraw/zinc/62/17/64/1219621764.db2.gz RCLUSAXDJXEMSC-DLBZAZTESA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCc4ncnn42)C3)CC[N@@H+]1C ZINC001072752737 1219622073 /nfs/dbraw/zinc/62/20/73/1219622073.db2.gz ZBBJXWFRVDIEOL-OWCLPIDISA-N 2 0 358.490 0.640 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCn3cccn3)CCCO2)CC[N@@H+]1C ZINC001073605842 1219671880 /nfs/dbraw/zinc/67/18/80/1219671880.db2.gz WKPBWTWFDMOKSO-OKZBNKHCSA-N 2 0 363.506 0.821 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001098219908 1219743324 /nfs/dbraw/zinc/74/33/24/1219743324.db2.gz XGCRAVIJLUJBTI-JJXSEGSLSA-N 2 0 362.474 0.199 20 0 FCADRP C[C@@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001098398401 1219773012 /nfs/dbraw/zinc/77/30/12/1219773012.db2.gz SGXMZGVRQJACFF-DJIMGWMZSA-N 2 0 364.490 0.960 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001098755242 1219820459 /nfs/dbraw/zinc/82/04/59/1219820459.db2.gz WCWINDQBMVMQRG-KHYOSLBOSA-N 2 0 362.474 0.200 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CC2)C3)CC[N@@H+]1C ZINC001098846403 1219839620 /nfs/dbraw/zinc/83/96/20/1219839620.db2.gz HQPORXNJPDWNCW-REGYPHIPSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cncn2)C3)CC1 ZINC001099063203 1219898455 /nfs/dbraw/zinc/89/84/55/1219898455.db2.gz SSAVBMZTSFHKLC-HKUYNNGSSA-N 2 0 360.506 0.981 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001099120734 1219920007 /nfs/dbraw/zinc/92/00/07/1219920007.db2.gz HWVJKZDYPOECDQ-UWJYYQICSA-N 2 0 370.497 0.952 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122871 1219921610 /nfs/dbraw/zinc/92/16/10/1219921610.db2.gz IPKBAJRLQHVFRY-KXBFYZLASA-N 2 0 361.490 0.078 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001228603221 1225935235 /nfs/dbraw/zinc/93/52/35/1225935235.db2.gz PDPSECGROWOFKF-RRFJBIMHSA-N 2 0 363.462 0.972 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001099458576 1220004165 /nfs/dbraw/zinc/00/41/65/1220004165.db2.gz MLFKALAJBJWDTO-FCEWJHQRSA-N 2 0 360.502 0.722 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnn(C)n3)C2)C1 ZINC001099500563 1220016590 /nfs/dbraw/zinc/01/65/90/1220016590.db2.gz WAAHVEOYNGDRTE-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001099525626 1220023206 /nfs/dbraw/zinc/02/32/06/1220023206.db2.gz LTQIWKZSCGYLJA-FTRWYGJKSA-N 2 0 360.502 0.579 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)n1 ZINC001099526358 1220023784 /nfs/dbraw/zinc/02/37/84/1220023784.db2.gz LHHDPUSPDFZXJH-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267362 1220256350 /nfs/dbraw/zinc/25/63/50/1220256350.db2.gz AXGYEWQLWIQDFN-POAQFYNOSA-N 2 0 364.534 0.879 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4nccn43)C[C@]2(C)C1 ZINC001101297037 1220275332 /nfs/dbraw/zinc/27/53/32/1220275332.db2.gz LKTBKIIUZNLXMH-CLCXKQKWSA-N 2 0 358.442 0.736 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299286 1220276145 /nfs/dbraw/zinc/27/61/45/1220276145.db2.gz QFXHFGKTJWGXAA-AYBZRNKSSA-N 2 0 358.442 0.736 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@@]2(C)C1 ZINC001101351049 1220297799 /nfs/dbraw/zinc/29/77/99/1220297799.db2.gz RAXCEVSXEYWWBE-BEFAXECRSA-N 2 0 366.506 0.014 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101418494 1220333100 /nfs/dbraw/zinc/33/31/00/1220333100.db2.gz UYSWZDPHYGTJPJ-MJGOQNOKSA-N 2 0 368.522 0.261 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429928 1220340141 /nfs/dbraw/zinc/34/01/41/1220340141.db2.gz GVDCBFBPHWIMHH-QKLQHJQFSA-N 2 0 364.534 0.881 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101476070 1220366852 /nfs/dbraw/zinc/36/68/52/1220366852.db2.gz BATPYPQIOVNCDG-BEFAXECRSA-N 2 0 364.490 0.256 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001228938817 1225965064 /nfs/dbraw/zinc/96/50/64/1225965064.db2.gz GMIJMNKDEOFLLX-BPLDGKMQSA-N 2 0 367.494 0.319 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013192 1220461507 /nfs/dbraw/zinc/46/15/07/1220461507.db2.gz OUEYQBUDRXVBDS-INMHGKMJSA-N 2 0 370.513 0.971 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046328 1220476844 /nfs/dbraw/zinc/47/68/44/1220476844.db2.gz YQXLCKQWYSUXDD-OAGGEKHMSA-N 2 0 360.506 0.934 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048734 1220477305 /nfs/dbraw/zinc/47/73/05/1220477305.db2.gz NARQRGNYPYQEKB-DJIMGWMZSA-N 2 0 367.538 0.718 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047339 1220477367 /nfs/dbraw/zinc/47/73/67/1220477367.db2.gz CNUGEXYAMSPDOC-KYJSFNMBSA-N 2 0 368.522 0.163 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051889 1220479422 /nfs/dbraw/zinc/47/94/22/1220479422.db2.gz ROKLVZZSXKTXGD-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090755 1220492978 /nfs/dbraw/zinc/49/29/78/1220492978.db2.gz BYSYTFCILRAEBH-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091013 1220493236 /nfs/dbraw/zinc/49/32/36/1220493236.db2.gz NRKYPGNRRAZKBS-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091079 1220493308 /nfs/dbraw/zinc/49/33/08/1220493308.db2.gz QSQIQIVRIYHKKT-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP COCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171266 1220532518 /nfs/dbraw/zinc/53/25/18/1220532518.db2.gz OYWMIQMQTAAPLM-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292184 1220576654 /nfs/dbraw/zinc/57/66/54/1220576654.db2.gz CABMNNRHWAQBAR-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294039 1220577423 /nfs/dbraw/zinc/57/74/23/1220577423.db2.gz FCUSIJQHUMAVBX-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294443 1220577623 /nfs/dbraw/zinc/57/76/23/1220577623.db2.gz YMIOKBITBQQGDH-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295420 1220577929 /nfs/dbraw/zinc/57/79/29/1220577929.db2.gz JEBXKCLOJYCCGF-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320680 1220583100 /nfs/dbraw/zinc/58/31/00/1220583100.db2.gz NWXDRZNLGXBUGS-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488611 1220652428 /nfs/dbraw/zinc/65/24/28/1220652428.db2.gz AYKGLRXSXWRODA-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102496448 1220657302 /nfs/dbraw/zinc/65/73/02/1220657302.db2.gz WHVARWYOSNTQHJ-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524259 1220680745 /nfs/dbraw/zinc/68/07/45/1220680745.db2.gz VHSWIONECULZSP-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102595925 1220718193 /nfs/dbraw/zinc/71/81/93/1220718193.db2.gz DNBHFOJNYBQVJG-HUUCEWRRSA-N 2 0 364.494 0.169 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994298 1220817473 /nfs/dbraw/zinc/81/74/73/1220817473.db2.gz WMBRLPXMFVQPTK-QGPMSJSTSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103732 1220834167 /nfs/dbraw/zinc/83/41/67/1220834167.db2.gz WVYWCIPKQVNFAA-KFWWJZLASA-N 2 0 367.494 0.130 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111702 1220835342 /nfs/dbraw/zinc/83/53/42/1220835342.db2.gz JSJYDHDQJRBGLS-FMKPAKJESA-N 2 0 369.510 0.102 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398412 1220877345 /nfs/dbraw/zinc/87/73/45/1220877345.db2.gz RHIDIDGTAWADPI-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103408743 1220878186 /nfs/dbraw/zinc/87/81/86/1220878186.db2.gz RMXXVGQWYINTKI-BRWVUGGUSA-N 2 0 367.538 0.672 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434148 1220882421 /nfs/dbraw/zinc/88/24/21/1220882421.db2.gz ROMFDQRJMROLCW-QLFBSQMISA-N 2 0 364.494 0.167 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103434337 1220882792 /nfs/dbraw/zinc/88/27/92/1220882792.db2.gz ZOCBSAYQWQVMMM-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584268 1220908012 /nfs/dbraw/zinc/90/80/12/1220908012.db2.gz KLFGSNPRXXIFST-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001103642973 1220925471 /nfs/dbraw/zinc/92/54/71/1220925471.db2.gz CEMTVNMAZTYOFD-IIAWOOMASA-N 2 0 366.510 0.827 20 0 FCADRP Cc1ccnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103641890 1220925628 /nfs/dbraw/zinc/92/56/28/1220925628.db2.gz IFYGMAHCTQJFDC-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103643853 1220926204 /nfs/dbraw/zinc/92/62/04/1220926204.db2.gz SXRDRBCYFQDONP-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103643797 1220926602 /nfs/dbraw/zinc/92/66/02/1220926602.db2.gz QOTCHOWOLHNGLH-RBSFLKMASA-N 2 0 364.494 0.024 20 0 FCADRP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646594 1220926949 /nfs/dbraw/zinc/92/69/49/1220926949.db2.gz AQPDNIIEWFMDTG-HZPDHXFCSA-N 2 0 360.506 0.968 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648810 1220927478 /nfs/dbraw/zinc/92/74/78/1220927478.db2.gz KGNKFSHWRFZBAS-RBSFLKMASA-N 2 0 361.490 0.970 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103665842 1220933824 /nfs/dbraw/zinc/93/38/24/1220933824.db2.gz WIGOUUQACIQZIR-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718754 1220951211 /nfs/dbraw/zinc/95/12/11/1220951211.db2.gz DDZHEDDZBJRCSB-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721538 1220951679 /nfs/dbraw/zinc/95/16/79/1220951679.db2.gz WWZPWBYVFLBHLC-KBAYOESNSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719273 1220952875 /nfs/dbraw/zinc/95/28/75/1220952875.db2.gz XIAKOJKHZKPQBQ-ZACQAIPSSA-N 2 0 368.522 0.165 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722505 1220953175 /nfs/dbraw/zinc/95/31/75/1220953175.db2.gz QCUDZPVCUYZDCR-KZNAEPCWSA-N 2 0 371.522 0.180 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103754597 1220965733 /nfs/dbraw/zinc/96/57/33/1220965733.db2.gz MLMBMWFKAIWSGS-IAGOWNOFSA-N 2 0 370.538 0.554 20 0 FCADRP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389950 1226008979 /nfs/dbraw/zinc/00/89/79/1226008979.db2.gz WYTCEDYKUGVAOW-QZTJIDSGSA-N 2 0 371.522 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001103999723 1220996489 /nfs/dbraw/zinc/99/64/89/1220996489.db2.gz JAWKORJVRKNDPU-FMKPAKJESA-N 2 0 361.494 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104202494 1221020761 /nfs/dbraw/zinc/02/07/61/1221020761.db2.gz CRMLFULNGCCVRV-QGPMSJSTSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001229389141 1226008497 /nfs/dbraw/zinc/00/84/97/1226008497.db2.gz JYORVOQGOCAYDO-USXIJHARSA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111776198 1221103773 /nfs/dbraw/zinc/10/37/73/1221103773.db2.gz TXMOLXVZDJFYSK-HBFSDRIKSA-N 2 0 367.534 0.944 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807785 1221120757 /nfs/dbraw/zinc/12/07/57/1221120757.db2.gz DSBDUNNHZLKWCG-WDYCEAGBSA-N 2 0 358.442 0.926 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864600 1221141226 /nfs/dbraw/zinc/14/12/26/1221141226.db2.gz XYAFHWBFMDVEAQ-BXWFABGCSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001111925941 1221172283 /nfs/dbraw/zinc/17/22/83/1221172283.db2.gz QGFQMUCWQWPPCH-KXBFYZLASA-N 2 0 364.490 0.448 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111947732 1221181563 /nfs/dbraw/zinc/18/15/63/1221181563.db2.gz XYAFHAHKKLDORQ-KHYOSLBOSA-N 2 0 364.490 0.494 20 0 FCADRP CNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949250 1221182700 /nfs/dbraw/zinc/18/27/00/1221182700.db2.gz VPIHMRAUKBTBOH-KSSFIOAISA-N 2 0 367.494 0.145 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000784191122 1221233509 /nfs/dbraw/zinc/23/35/09/1221233509.db2.gz JGEGHAHZLPZRCT-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000784387491 1221241804 /nfs/dbraw/zinc/24/18/04/1221241804.db2.gz BNBYDNZHGDDDBS-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112379115 1221248698 /nfs/dbraw/zinc/24/86/98/1221248698.db2.gz QVIINFDPUHFCJD-BXWFABGCSA-N 2 0 370.513 0.973 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001112397254 1221252075 /nfs/dbraw/zinc/25/20/75/1221252075.db2.gz YZTFMZXBFNEHDD-LPHOPBHVSA-N 2 0 362.518 0.921 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229693430 1226028497 /nfs/dbraw/zinc/02/84/97/1226028497.db2.gz SCVFZYHHVIBEDZ-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)cc1=O ZINC001229709117 1226029703 /nfs/dbraw/zinc/02/97/03/1226029703.db2.gz BYVJRTXLZAAJMR-IAGOWNOFSA-N 2 0 364.490 0.481 20 0 FCADRP C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179097 1221305373 /nfs/dbraw/zinc/30/53/73/1221305373.db2.gz AQHUBNSINOEWEN-SUJAAXHWSA-N 2 0 366.462 0.626 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229807961 1226035921 /nfs/dbraw/zinc/03/59/21/1226035921.db2.gz LXFOXQKXNZBNDC-IAGOWNOFSA-N 2 0 370.538 0.888 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001116801223 1221391524 /nfs/dbraw/zinc/39/15/24/1221391524.db2.gz TZYCVRUYYYYWRO-UHFFFAOYSA-N 2 0 368.441 0.648 20 0 FCADRP CC(C)[C@H]1CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117152229 1221483105 /nfs/dbraw/zinc/48/31/05/1221483105.db2.gz HWYULSSNLXTUHY-GOSISDBHSA-N 2 0 373.501 0.967 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)NC[C@@H]1CCOC1 ZINC001230147297 1226057918 /nfs/dbraw/zinc/05/79/18/1226057918.db2.gz BPTGODIPODABRL-GVDBMIGSSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC001118017994 1221688435 /nfs/dbraw/zinc/68/84/35/1221688435.db2.gz UQEVQTSLDZBCSN-RHSMWYFYSA-N 2 0 360.458 0.796 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230279869 1226070847 /nfs/dbraw/zinc/07/08/47/1226070847.db2.gz ISXBLAHURGOWPI-RRFJBIMHSA-N 2 0 369.510 0.578 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001118644526 1221812959 /nfs/dbraw/zinc/81/29/59/1221812959.db2.gz OSIFBFPDFACEOV-KRWDZBQOSA-N 2 0 366.506 0.345 20 0 FCADRP CONC(=O)C1CC[NH+](CC[C@H](C)[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001119323961 1221899514 /nfs/dbraw/zinc/89/95/14/1221899514.db2.gz MNIVZGDRUPLCLK-AWEZNQCLSA-N 2 0 370.494 0.544 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001119355656 1221905557 /nfs/dbraw/zinc/90/55/57/1221905557.db2.gz WBGLEMRUVCGWLY-KDURUIRLSA-N 2 0 370.497 0.978 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC001119372133 1221908899 /nfs/dbraw/zinc/90/88/99/1221908899.db2.gz ZXQJILOQXIYXKS-SFHVURJKSA-N 2 0 370.457 0.998 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC(N4CC[NH+](C)CC4)C3)cc2)CC1 ZINC001119568994 1221934392 /nfs/dbraw/zinc/93/43/92/1221934392.db2.gz XPRGNTVIPWLNNG-UHFFFAOYSA-N 2 0 371.529 0.506 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001120395504 1222077339 /nfs/dbraw/zinc/07/73/39/1222077339.db2.gz XIOQERCPFJVQCM-HZPDHXFCSA-N 2 0 359.474 0.529 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC001120513169 1222098243 /nfs/dbraw/zinc/09/82/43/1222098243.db2.gz IELUSPIZXYQTOP-UHFFFAOYSA-N 2 0 369.506 0.663 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001121927139 1222225227 /nfs/dbraw/zinc/22/52/27/1222225227.db2.gz VTLBFYUROWDLLV-FQEVSTJZSA-N 2 0 360.502 0.425 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636305 1222346295 /nfs/dbraw/zinc/34/62/95/1222346295.db2.gz KLRQYCZSKVEQEU-PXNSSMCTSA-N 2 0 371.529 0.935 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC001123775319 1222355729 /nfs/dbraw/zinc/35/57/29/1222355729.db2.gz UFLBWXXAJSPTBT-BTHPGYMESA-N 2 0 372.513 0.374 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769896 1222355922 /nfs/dbraw/zinc/35/59/22/1222355922.db2.gz PJXLGUBWDFSCMR-VBSBHUPXSA-N 2 0 372.513 0.374 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(C[C@@H]4CCC(=O)N4)CC3)CC2)CC1 ZINC001202899530 1222541624 /nfs/dbraw/zinc/54/16/24/1222541624.db2.gz DCMZDHZXCWXBSQ-KRWDZBQOSA-N 2 0 363.550 0.441 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161206148 1222566436 /nfs/dbraw/zinc/56/64/36/1222566436.db2.gz XKWNMCLSSRXWNP-GOSISDBHSA-N 3 0 364.534 0.677 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(Cc4ccc(=O)[nH]n4)CC3)CC2)CC1 ZINC001232027112 1226138407 /nfs/dbraw/zinc/13/84/07/1226138407.db2.gz DZMKGPDKNMGYDE-UHFFFAOYSA-N 2 0 374.533 0.858 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1)C1CC[NH+](C)CC1 ZINC000841149261 1222809925 /nfs/dbraw/zinc/80/99/25/1222809925.db2.gz FFVWPNIVCDCHQX-CQSZACIVSA-N 2 0 359.474 0.715 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N2CC[NH2+]CC2)cc1)C1CC[NH+](C)CC1 ZINC000841144877 1222810049 /nfs/dbraw/zinc/81/00/49/1222810049.db2.gz LYWNIBYOEKDMIF-UHFFFAOYSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000841148598 1222810272 /nfs/dbraw/zinc/81/02/72/1222810272.db2.gz URARXTKZMQNBRD-MRXNPFEDSA-N 2 0 359.474 0.587 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000841197617 1222812764 /nfs/dbraw/zinc/81/27/64/1222812764.db2.gz JMNPDZPHSSZKFJ-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4nccnc34)CC[C@@H]2C1 ZINC001232547125 1226157669 /nfs/dbraw/zinc/15/76/69/1226157669.db2.gz ZCBDVWWNTRFSSY-GDBMZVCRSA-N 2 0 372.473 0.520 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000841229964 1222815018 /nfs/dbraw/zinc/81/50/18/1222815018.db2.gz TVROSIXTNHOSLR-CVEARBPZSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841230189 1222815165 /nfs/dbraw/zinc/81/51/65/1222815165.db2.gz MHWDFGTVWNDXBP-GJZGRUSLSA-N 2 0 359.474 0.634 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000841233735 1222815634 /nfs/dbraw/zinc/81/56/34/1222815634.db2.gz FPKPPYSBFDQECA-IBGZPJMESA-N 2 0 359.474 0.574 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841845885 1222830062 /nfs/dbraw/zinc/83/00/62/1222830062.db2.gz AEUOUPVQSFHUAY-INIZCTEOSA-N 2 0 374.441 0.402 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842011501 1222832721 /nfs/dbraw/zinc/83/27/21/1222832721.db2.gz PEAAMAAHRIXLOT-MJGOQNOKSA-N 2 0 362.474 0.253 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000842132451 1222836213 /nfs/dbraw/zinc/83/62/13/1222836213.db2.gz BXCBWDLAJOSQJP-DZOHQFGASA-N 2 0 358.486 0.867 20 0 FCADRP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1n[nH]c2c1C[NH2+]CC2 ZINC000842509931 1222848704 /nfs/dbraw/zinc/84/87/04/1222848704.db2.gz NGSSXXDBLPVOSA-UHFFFAOYSA-N 2 0 370.457 0.592 20 0 FCADRP C[NH2+]CC1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000843349021 1222871698 /nfs/dbraw/zinc/87/16/98/1222871698.db2.gz DAMBGJQOVOQNIX-UHFFFAOYSA-N 2 0 365.478 0.594 20 0 FCADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCC(C(=O)N2CCCC2)CC1 ZINC000843363935 1222873882 /nfs/dbraw/zinc/87/38/82/1222873882.db2.gz VXCBFTOQXAISMK-UHFFFAOYSA-N 2 0 362.518 0.923 20 0 FCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843384847 1222874422 /nfs/dbraw/zinc/87/44/22/1222874422.db2.gz CMSFUDGMRKJBHC-CQSZACIVSA-N 2 0 365.478 0.866 20 0 FCADRP CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484937 1222977117 /nfs/dbraw/zinc/97/71/17/1222977117.db2.gz IXBUHTGMYRLWEP-WCXIOVBPSA-N 2 0 368.522 0.137 20 0 FCADRP CCOC(=O)[C@]12CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154686853 1223016405 /nfs/dbraw/zinc/01/64/05/1223016405.db2.gz HOMNPMQFGJDMKQ-OXQOHEQNSA-N 2 0 373.501 0.812 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001155084081 1223024298 /nfs/dbraw/zinc/02/42/98/1223024298.db2.gz TXBDUWPOEBTFTB-UHFFFAOYSA-N 2 0 360.418 0.676 20 0 FCADRP COC(=O)[C@@H]([NH3+])C1CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001155169296 1223027824 /nfs/dbraw/zinc/02/78/24/1223027824.db2.gz LAAQYECZKYCTSG-KRWDZBQOSA-N 2 0 363.462 0.572 20 0 FCADRP O=C(c1cccnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001155597305 1223039222 /nfs/dbraw/zinc/03/92/22/1223039222.db2.gz LNPOJOGPCXDEIF-HNAYVOBHSA-N 2 0 359.474 0.698 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(n1)NC(=O)CO2 ZINC001155731317 1223043287 /nfs/dbraw/zinc/04/32/87/1223043287.db2.gz PEAVZZJMETXPNB-UHFFFAOYSA-N 2 0 363.462 0.758 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001157324509 1223074412 /nfs/dbraw/zinc/07/44/12/1223074412.db2.gz YZODOMKJIHUAGQ-YOEHRIQHSA-N 2 0 359.474 0.788 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001157371322 1223075657 /nfs/dbraw/zinc/07/56/57/1223075657.db2.gz UFGOOQLREUXMOG-KRWDZBQOSA-N 2 0 367.538 0.249 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001157449103 1223077054 /nfs/dbraw/zinc/07/70/54/1223077054.db2.gz RMHFJWWHHRGUDB-HZPDHXFCSA-N 2 0 366.506 0.333 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2noc3ccccc32)CC1 ZINC001157519449 1223078013 /nfs/dbraw/zinc/07/80/13/1223078013.db2.gz TYHKEBTWVZEYNU-MRXNPFEDSA-N 2 0 372.473 0.227 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001157721394 1223080863 /nfs/dbraw/zinc/08/08/63/1223080863.db2.gz XLFYPGSMOOFREM-HNNXBMFYSA-N 2 0 357.454 0.955 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1 ZINC001157721464 1223081193 /nfs/dbraw/zinc/08/11/93/1223081193.db2.gz YAJPZUHQICZTQI-BXWFABGCSA-N 2 0 372.469 0.954 20 0 FCADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960571 1223085033 /nfs/dbraw/zinc/08/50/33/1223085033.db2.gz LNAFJFWSQYNTQZ-HZPDHXFCSA-N 2 0 367.457 0.097 20 0 FCADRP COc1ccc(C2(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)CC[NH2+]CC2)cc1 ZINC001158101048 1223088907 /nfs/dbraw/zinc/08/89/07/1223088907.db2.gz GOLOLVMNJTUNPN-IBGZPJMESA-N 2 0 372.469 0.007 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001158102732 1223089237 /nfs/dbraw/zinc/08/92/37/1223089237.db2.gz WFBVETGMQQQEMN-XJKSGUPXSA-N 2 0 370.375 0.786 20 0 FCADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120958 1223089786 /nfs/dbraw/zinc/08/97/86/1223089786.db2.gz QESOVRNHLHKMLQ-OXJNMPFZSA-N 2 0 356.470 0.275 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@H]1c1ccccc1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118807 1223089820 /nfs/dbraw/zinc/08/98/20/1223089820.db2.gz DMWQFCNIDONJBF-GQIGUUNPSA-N 2 0 354.454 0.275 20 0 FCADRP [NH3+][C@@H](CSc1ccccc1)CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120427 1223089862 /nfs/dbraw/zinc/08/98/62/1223089862.db2.gz MOTFMDNYFGPVKJ-KUHUBIRLSA-N 2 0 374.510 0.434 20 0 FCADRP [NH3+]CCNCC(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158143618 1223090104 /nfs/dbraw/zinc/09/01/04/1223090104.db2.gz XRKYLKSGNKZRDE-GOSISDBHSA-N 2 0 360.502 0.865 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138580 1223090188 /nfs/dbraw/zinc/09/01/88/1223090188.db2.gz XJRRGJUBDSHVED-MSOLQXFVSA-N 2 0 360.502 0.993 20 0 FCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001158191440 1223090641 /nfs/dbraw/zinc/09/06/41/1223090641.db2.gz QCSBXJIOYYKWCZ-NAVQRFEMSA-N 2 0 357.410 0.708 20 0 FCADRP O=C(c1ccc2c(n1)CC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286154 1223094124 /nfs/dbraw/zinc/09/41/24/1223094124.db2.gz RDMZZEJQBRCUQN-UHFFFAOYSA-N 2 0 353.430 0.054 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158327912 1223095300 /nfs/dbraw/zinc/09/53/00/1223095300.db2.gz RFPFFLAXTQSZNV-IPMKNSEASA-N 2 0 370.497 0.537 20 0 FCADRP O=C(c1cccnc1NCc1ncn2c1C[NH2+]CCC2)N1CC[NH2+]CC1 ZINC001158359268 1223095429 /nfs/dbraw/zinc/09/54/29/1223095429.db2.gz HHDJNMWGHHSBMA-UHFFFAOYSA-N 2 0 355.446 0.429 20 0 FCADRP Nc1cccc(C[NH+]2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)c1 ZINC001158481204 1223099073 /nfs/dbraw/zinc/09/90/73/1223099073.db2.gz YHBLBAYWIXPMDG-UHFFFAOYSA-N 2 0 353.474 0.791 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001158506816 1223100603 /nfs/dbraw/zinc/10/06/03/1223100603.db2.gz RQNAGMIADKOBHV-DARAHFNDSA-N 2 0 374.441 0.188 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534121 1223101630 /nfs/dbraw/zinc/10/16/30/1223101630.db2.gz RSAYULOBDASUMW-NQUFMGSDSA-N 2 0 365.474 0.559 20 0 FCADRP O=C(c1cccc(N2CC[NH2+]CC2)c1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545640 1223101753 /nfs/dbraw/zinc/10/17/53/1223101753.db2.gz HQKUWROVMCXRGN-ILZDJORESA-N 2 0 356.470 0.689 20 0 FCADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535129 1223101915 /nfs/dbraw/zinc/10/19/15/1223101915.db2.gz VWUYABGLVWCHNA-JRBPQWBISA-N 2 0 359.470 0.900 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558677 1223102158 /nfs/dbraw/zinc/10/21/58/1223102158.db2.gz WXDRVSOLAFSOCV-UWVAXJGDSA-N 2 0 356.470 0.460 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548284 1223102554 /nfs/dbraw/zinc/10/25/54/1223102554.db2.gz RWXULZJWPBOYIF-RTBCOKGWSA-N 2 0 357.454 0.861 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158644166 1223104383 /nfs/dbraw/zinc/10/43/83/1223104383.db2.gz ZLHJELYLFBVCNZ-BEFAXECRSA-N 2 0 359.474 0.741 20 0 FCADRP [NH3+]CCc1cn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c2cccnc12 ZINC001158750707 1223107348 /nfs/dbraw/zinc/10/73/48/1223107348.db2.gz APIICVDCQVJHHO-UHFFFAOYSA-N 2 0 350.426 0.967 20 0 FCADRP CN(C[C@H](O)CO)C(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001158800640 1223110101 /nfs/dbraw/zinc/11/01/01/1223110101.db2.gz XIDLZYHEQQVTRV-WSTZPKSXSA-N 2 0 361.486 0.300 20 0 FCADRP O=C(N1CCc2onc(Cn3ccnc3)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158822034 1223110344 /nfs/dbraw/zinc/11/03/44/1223110344.db2.gz SHJGACWUVIFLLQ-FZKQIMNGSA-N 2 0 356.430 0.003 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821218 1223110529 /nfs/dbraw/zinc/11/05/29/1223110529.db2.gz DDYNPKHAUDIUIZ-HNNXBMFYSA-N 2 0 360.462 0.863 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891372 1223112336 /nfs/dbraw/zinc/11/23/36/1223112336.db2.gz YBQBFGBPSLWDRB-XUWXXGDYSA-N 2 0 374.420 0.368 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891371 1223112462 /nfs/dbraw/zinc/11/24/62/1223112462.db2.gz YBQBFGBPSLWDRB-QIIPPGSGSA-N 2 0 374.420 0.368 20 0 FCADRP [NH3+]Cc1ccc2nnn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)c2c1 ZINC001159029585 1223115721 /nfs/dbraw/zinc/11/57/21/1223115721.db2.gz WSJGNJNZNDJKBT-UHFFFAOYSA-N 2 0 352.402 0.109 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159135610 1223118236 /nfs/dbraw/zinc/11/82/36/1223118236.db2.gz XJTFXZWQRZLHKY-HOTGVXAUSA-N 2 0 364.494 0.037 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001159135760 1223118240 /nfs/dbraw/zinc/11/82/40/1223118240.db2.gz ZAQJOCUEIXKEDR-NVXWUHKLSA-N 2 0 357.458 0.679 20 0 FCADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159158586 1223119466 /nfs/dbraw/zinc/11/94/66/1223119466.db2.gz PMVMKJVRHLVZSS-FPSMNIFISA-N 2 0 358.490 0.717 20 0 FCADRP CC(C)(C)N(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160381 1223119635 /nfs/dbraw/zinc/11/96/35/1223119635.db2.gz JNXZGTCZLTUQEO-ZIAGYGMSSA-N 2 0 369.510 0.300 20 0 FCADRP O=C(c1ccc(Nc2nccnc2N2CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC001159176789 1223119698 /nfs/dbraw/zinc/11/96/98/1223119698.db2.gz ZGFLWUIQHOOSGL-UHFFFAOYSA-N 2 0 367.457 0.675 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CC1CC[NH2+]CC1)CC2 ZINC001159189132 1223120358 /nfs/dbraw/zinc/12/03/58/1223120358.db2.gz AWCNLNRDCVMZPH-UHFFFAOYSA-N 2 0 363.462 0.240 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159228752 1223121330 /nfs/dbraw/zinc/12/13/30/1223121330.db2.gz UWTDPNQOPYCCCU-PKOBYXMFSA-N 2 0 362.474 0.687 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159387819 1223126028 /nfs/dbraw/zinc/12/60/28/1223126028.db2.gz FTJQQSAYNOUQFA-CQSZACIVSA-N 2 0 358.450 0.084 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC[C@@H]21 ZINC001159533375 1223129215 /nfs/dbraw/zinc/12/92/15/1223129215.db2.gz DTYPOSREDBCAGO-FPSMNIFISA-N 2 0 361.490 0.306 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)CC[C@@H]21 ZINC001159534846 1223129372 /nfs/dbraw/zinc/12/93/72/1223129372.db2.gz RYFQALWDBSBKRO-SQNIBIBYSA-N 2 0 374.533 0.664 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549816 1223129593 /nfs/dbraw/zinc/12/95/93/1223129593.db2.gz RABPBHOCDIVTRA-INIZCTEOSA-N 2 0 371.489 0.561 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549875 1223129671 /nfs/dbraw/zinc/12/96/71/1223129671.db2.gz UDAKFWZWAPTMNF-HNNXBMFYSA-N 2 0 357.462 0.551 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560773 1223129732 /nfs/dbraw/zinc/12/97/32/1223129732.db2.gz NYIPHCNLBZUIRP-ZSZQSSIHSA-N 2 0 373.501 0.882 20 0 FCADRP CN(CC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@@H]1CCC[NH2+]C1 ZINC001159560403 1223129791 /nfs/dbraw/zinc/12/97/91/1223129791.db2.gz LULGIUDVTLUDNO-QGZVFWFLSA-N 2 0 374.533 0.941 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666082 1223132812 /nfs/dbraw/zinc/13/28/12/1223132812.db2.gz OYUNYUHLQVYGHQ-KSZLIROESA-N 2 0 370.457 0.176 20 0 FCADRP C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159696272 1223134048 /nfs/dbraw/zinc/13/40/48/1223134048.db2.gz ITVGZYXBQWSSFD-YYFZDKIDSA-N 2 0 373.501 0.912 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159697379 1223134518 /nfs/dbraw/zinc/13/45/18/1223134518.db2.gz NGBCXWNFKVTEDC-LUKYLMHMSA-N 2 0 372.469 0.275 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159697383 1223134578 /nfs/dbraw/zinc/13/45/78/1223134578.db2.gz NGBCXWNFKVTEDC-YYIAUSFCSA-N 2 0 372.469 0.275 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887480 1223139022 /nfs/dbraw/zinc/13/90/22/1223139022.db2.gz WEZJHYYRNTUCDY-MJGOQNOKSA-N 2 0 374.489 0.001 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874159 1223139040 /nfs/dbraw/zinc/13/90/40/1223139040.db2.gz QMWGKYBHQHMEEZ-MAUKXSAKSA-N 2 0 362.478 0.131 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001159929697 1223140007 /nfs/dbraw/zinc/14/00/07/1223140007.db2.gz JDAKCCMVKQOYKA-PNYFIKQUSA-N 2 0 364.534 0.772 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160025392 1223142813 /nfs/dbraw/zinc/14/28/13/1223142813.db2.gz CYVDOPOXKZHPHE-HZMVEIRTSA-N 2 0 366.506 0.474 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160065591 1223143924 /nfs/dbraw/zinc/14/39/24/1223143924.db2.gz LSMWBQPFCOBUNT-HNNXBMFYSA-N 2 0 357.462 0.371 20 0 FCADRP O=C(N1CCc2onc(Cn3cccn3)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160127608 1223146750 /nfs/dbraw/zinc/14/67/50/1223146750.db2.gz APPBEIOUVXHYTN-FZKQIMNGSA-N 2 0 356.430 0.003 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157822 1223147202 /nfs/dbraw/zinc/14/72/02/1223147202.db2.gz ZXVHJEYVOQZAQD-XHSDSOJGSA-N 2 0 367.490 0.628 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160230140 1223150970 /nfs/dbraw/zinc/15/09/70/1223150970.db2.gz IBDRXHGDXQMEPU-IAGOWNOFSA-N 2 0 372.473 0.520 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C[C@H]1COCC[NH2+]1)CCC2 ZINC001160372184 1223156520 /nfs/dbraw/zinc/15/65/20/1223156520.db2.gz OZUSZYKYOBHTCV-HNNXBMFYSA-N 2 0 365.478 0.072 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408347 1223158029 /nfs/dbraw/zinc/15/80/29/1223158029.db2.gz NKPSVTFMQRAEIM-CQSZACIVSA-N 2 0 371.445 0.078 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160420718 1223158631 /nfs/dbraw/zinc/15/86/31/1223158631.db2.gz JNBYPOIRULVWPX-CYBMUJFWSA-N 2 0 358.417 0.447 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)COC1(C)C ZINC001160463930 1223160591 /nfs/dbraw/zinc/16/05/91/1223160591.db2.gz QPIYLLHXAWXBRG-JYJNAYRXSA-N 2 0 366.506 0.774 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001160537211 1223164260 /nfs/dbraw/zinc/16/42/60/1223164260.db2.gz IPTXEULQIRPAOM-GOSISDBHSA-N 2 0 369.469 0.779 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621014 1223166479 /nfs/dbraw/zinc/16/64/79/1223166479.db2.gz IRPMHVICANRZKB-OAHLLOKOSA-N 2 0 370.432 0.159 20 0 FCADRP [NH3+][C@H](C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1)C1CC[NH2+]CC1 ZINC001160629426 1223166534 /nfs/dbraw/zinc/16/65/34/1223166534.db2.gz PBUIBADRLNURGY-SFHVURJKSA-N 2 0 372.448 0.677 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160746174 1223170777 /nfs/dbraw/zinc/17/07/77/1223170777.db2.gz BZLOUYPRRHAUPD-KRWDZBQOSA-N 2 0 368.522 0.768 20 0 FCADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780836 1223172795 /nfs/dbraw/zinc/17/27/95/1223172795.db2.gz XABRDTHNJXBQJB-LZJOCLMNSA-N 2 0 368.481 0.102 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4c(c3)C[NH2+]C4)C[C@H]1C2 ZINC001160804029 1223174268 /nfs/dbraw/zinc/17/42/68/1223174268.db2.gz OVMCTLQMJXEWRF-YZLZLFLDSA-N 2 0 355.438 0.761 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C[C@H]1C[NH2+]CC2 ZINC001160813934 1223175426 /nfs/dbraw/zinc/17/54/26/1223175426.db2.gz MGMPYBPHYDDZFR-JTDSTZFVSA-N 3 0 368.522 0.483 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001160839986 1223176667 /nfs/dbraw/zinc/17/66/67/1223176667.db2.gz STSGCLFPJIFEOZ-ILZDJORESA-N 2 0 358.486 0.501 20 0 FCADRP CN(C(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1)c1ccccc1 ZINC001160893379 1223179416 /nfs/dbraw/zinc/17/94/16/1223179416.db2.gz AZGBXLOVUFQRIT-KRWDZBQOSA-N 2 0 361.490 0.250 20 0 FCADRP CO[C@@H](CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)c1ccccc1 ZINC001160905545 1223180611 /nfs/dbraw/zinc/18/06/11/1223180611.db2.gz PSQUTBKOKPPDPN-SVFBPWRDSA-N 2 0 372.513 0.717 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CC(F)(F)C1 ZINC001160973952 1223182395 /nfs/dbraw/zinc/18/23/95/1223182395.db2.gz YQEKGDWXZOWPMV-MFKMUULPSA-N 2 0 366.372 0.199 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CC(F)(F)C1 ZINC001160973955 1223182479 /nfs/dbraw/zinc/18/24/79/1223182479.db2.gz YQEKGDWXZOWPMV-ZWNOBZJWSA-N 2 0 366.372 0.199 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967166 1223182547 /nfs/dbraw/zinc/18/25/47/1223182547.db2.gz JVLLMKOIDYOIFL-OLZOCXBDSA-N 2 0 369.416 0.504 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000065 1223182558 /nfs/dbraw/zinc/18/25/58/1223182558.db2.gz OWBZHACFPCWMSL-DLBZAZTESA-N 2 0 360.502 0.598 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006827 1223183010 /nfs/dbraw/zinc/18/30/10/1223183010.db2.gz FZXPZTYRMPKZJC-AEFFLSMTSA-N 2 0 354.454 0.820 20 0 FCADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)CC2)CC1 ZINC001161046668 1223184353 /nfs/dbraw/zinc/18/43/53/1223184353.db2.gz PCWHMYLJVBGZKV-GOSISDBHSA-N 2 0 364.534 0.677 20 0 FCADRP CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061565 1223184570 /nfs/dbraw/zinc/18/45/70/1223184570.db2.gz HGVVNQCGKSKJQX-BPQIPLTHSA-N 2 0 371.485 0.882 20 0 FCADRP O=C(N(c1ncnc2ccccc21)C1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001161089923 1223185739 /nfs/dbraw/zinc/18/57/39/1223185739.db2.gz JCEBAVYBRBKLDB-XOBRGWDASA-N 2 0 366.469 0.666 20 0 FCADRP COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001161147086 1223187010 /nfs/dbraw/zinc/18/70/10/1223187010.db2.gz VCFJKPMPWXCVMZ-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197025 1223189167 /nfs/dbraw/zinc/18/91/67/1223189167.db2.gz WIQRBBSBJMZALR-IEBWSBKVSA-N 2 0 366.550 0.925 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198424 1223189259 /nfs/dbraw/zinc/18/92/59/1223189259.db2.gz QODTYEWHQVWGMG-ZWKOTPCHSA-N 2 0 370.513 0.485 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CC(C)(C)C)C2CC[NH2+]CC2)COC1(C)C ZINC001161262119 1223192826 /nfs/dbraw/zinc/19/28/26/1223192826.db2.gz UJYZKYZSXXBHQQ-ZFWWWQNUSA-N 2 0 368.522 0.924 20 0 FCADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)nc1 ZINC001161299533 1223194296 /nfs/dbraw/zinc/19/42/96/1223194296.db2.gz WRDWFRVGAPXVEY-HIFRSBDPSA-N 2 0 361.446 0.339 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)c2cnc3n2CC[NH2+]CC3)C2CCOCC2)CC1 ZINC001161323987 1223196125 /nfs/dbraw/zinc/19/61/25/1223196125.db2.gz JHRBCIKMTYYCGW-SHTZXODSSA-N 2 0 361.490 0.920 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371164 1223197223 /nfs/dbraw/zinc/19/72/23/1223197223.db2.gz BGTIWXUFSBMNPW-SJORKVTESA-N 2 0 372.517 0.158 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3cccc(CN4CC[NH2+]CC4)c3)C2)CC1 ZINC001161381878 1223197694 /nfs/dbraw/zinc/19/76/94/1223197694.db2.gz QOJJCSNNAKUAQO-FQEVSTJZSA-N 2 0 371.529 0.729 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380834 1223197781 /nfs/dbraw/zinc/19/77/81/1223197781.db2.gz VYNKJAOKYJRWNC-APWZRJJASA-N 2 0 358.486 0.906 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3cccnc3O[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001161381892 1223197813 /nfs/dbraw/zinc/19/78/13/1223197813.db2.gz QQUZROOFRVBPRV-JKSUJKDBSA-N 2 0 359.474 0.460 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380788 1223198109 /nfs/dbraw/zinc/19/81/09/1223198109.db2.gz VNRYHWDNAKWISX-DLBZAZTESA-N 2 0 366.506 0.271 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413059 1223198521 /nfs/dbraw/zinc/19/85/21/1223198521.db2.gz NURULEVTJUPLON-NNIGNNQHSA-N 2 0 370.497 0.743 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430976 1223199230 /nfs/dbraw/zinc/19/92/30/1223199230.db2.gz SHNRHSDQLRYNQD-LJQANCHMSA-N 3 0 359.518 0.518 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1CO[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001161477394 1223200626 /nfs/dbraw/zinc/20/06/26/1223200626.db2.gz HSQNNFMSCMQZGN-RGCFKVTRSA-N 2 0 365.474 0.289 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(F)ccc31)CC2 ZINC001161478775 1223200868 /nfs/dbraw/zinc/20/08/68/1223200868.db2.gz NZSXFFOXPQOZHT-BXWFABGCSA-N 2 0 361.417 0.766 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001161480929 1223201016 /nfs/dbraw/zinc/20/10/16/1223201016.db2.gz VVBLPKKVXAERGZ-XLIONFOSSA-N 2 0 357.454 0.628 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161481489 1223201561 /nfs/dbraw/zinc/20/15/61/1223201561.db2.gz XZWGOEMPMPVGHG-VEVIJQCQSA-N 2 0 369.462 0.060 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001161488828 1223202021 /nfs/dbraw/zinc/20/20/21/1223202021.db2.gz OFIGHJLWCMVNRL-YJBOKZPZSA-N 2 0 358.446 0.591 20 0 FCADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001161489193 1223202045 /nfs/dbraw/zinc/20/20/45/1223202045.db2.gz LGXSJLWMYXHUCR-HNAYVOBHSA-N 2 0 361.490 0.896 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161488146 1223202125 /nfs/dbraw/zinc/20/21/25/1223202125.db2.gz KHPYTRPRRBZTPX-DOXZYTNZSA-N 2 0 368.522 0.707 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001161488826 1223202188 /nfs/dbraw/zinc/20/21/88/1223202188.db2.gz OFIGHJLWCMVNRL-QAPCUYQASA-N 2 0 358.446 0.591 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](c2cc3ccccc3o2)N2CC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493314 1223202718 /nfs/dbraw/zinc/20/27/18/1223202718.db2.gz KOGHYGJOEUXSAJ-NONVJHHQSA-N 2 0 358.442 0.691 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2ncnc3c2CC[NH2+]C3)CC1 ZINC001161522151 1223203539 /nfs/dbraw/zinc/20/35/39/1223203539.db2.gz IBRVLZZYTHVLQY-UHFFFAOYSA-N 2 0 366.469 0.736 20 0 FCADRP COC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC001161563542 1223204702 /nfs/dbraw/zinc/20/47/02/1223204702.db2.gz GEZWCRCQHSFKMX-BZSNNMDCSA-N 2 0 374.485 0.500 20 0 FCADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592056 1223205542 /nfs/dbraw/zinc/20/55/42/1223205542.db2.gz FRZSJSZSRAVPNM-KRWDZBQOSA-N 2 0 368.481 0.723 20 0 FCADRP C[C@@H]([NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001162809970 1223220035 /nfs/dbraw/zinc/22/00/35/1223220035.db2.gz ALLLWVGMNBPAAJ-JFIYKMOQSA-N 2 0 360.502 0.861 20 0 FCADRP c1c([C@H]2C[NH2+]CCO2)nc2cccc(NCc3nnc4n3CCC[NH2+]C4)n12 ZINC001163022220 1223223943 /nfs/dbraw/zinc/22/39/43/1223223943.db2.gz QVMNWLQOMCATMD-CQSZACIVSA-N 2 0 368.445 0.692 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163070078 1223225626 /nfs/dbraw/zinc/22/56/26/1223225626.db2.gz UDHMCYJMEXVXLG-PMPSAXMXSA-N 2 0 360.458 0.656 20 0 FCADRP O=C1N[C@H](c2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc2)CC12C[NH2+]C2 ZINC001163171787 1223227645 /nfs/dbraw/zinc/22/76/45/1223227645.db2.gz OCQSDFIECDFOEK-NRSFXHEJSA-N 2 0 356.470 0.874 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163162838 1223227888 /nfs/dbraw/zinc/22/78/88/1223227888.db2.gz FITXFBQZKGUZKT-HUMVNOLHSA-N 2 0 374.485 0.902 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001163527861 1223232179 /nfs/dbraw/zinc/23/21/79/1223232179.db2.gz NPKLEQKUAPQOTH-UHFFFAOYSA-N 2 0 362.478 0.479 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3ncnn3CCF)CC2)CC[N@@H+]1C ZINC001164578804 1223240269 /nfs/dbraw/zinc/24/02/69/1223240269.db2.gz SMKNFGZVRHSLOI-HUUCEWRRSA-N 2 0 366.485 0.964 20 0 FCADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001165312688 1223244665 /nfs/dbraw/zinc/24/46/65/1223244665.db2.gz BGSJCQWFJITXRD-UHFFFAOYSA-N 2 0 370.461 0.298 20 0 FCADRP Cc1nc2c(n1-c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC[NH2+]CC2 ZINC001165354678 1223245042 /nfs/dbraw/zinc/24/50/42/1223245042.db2.gz FRVGZQLNDLGISN-UHFFFAOYSA-N 2 0 355.446 0.099 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165370588 1223245171 /nfs/dbraw/zinc/24/51/71/1223245171.db2.gz BGJGNVZZTUHTAC-CABCVRRESA-N 2 0 371.363 0.601 20 0 FCADRP CCn1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)n1 ZINC001165729121 1223255518 /nfs/dbraw/zinc/25/55/18/1223255518.db2.gz ZGCQNXPVGITACM-NVXWUHKLSA-N 2 0 363.506 0.998 20 0 FCADRP COC(=O)C1(Nc2ccccc2C(=O)NC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001166966380 1223290412 /nfs/dbraw/zinc/29/04/12/1223290412.db2.gz CYKDRROXZNRUBM-UHFFFAOYSA-N 2 0 360.458 0.876 20 0 FCADRP CCCCn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001166968185 1223290447 /nfs/dbraw/zinc/29/04/47/1223290447.db2.gz NWJZETGJDAHXLT-ZIAGYGMSSA-N 2 0 360.466 0.606 20 0 FCADRP Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001204579005 1223303702 /nfs/dbraw/zinc/30/37/02/1223303702.db2.gz DHMOLUWPANHYNP-UHFFFAOYSA-N 2 0 362.522 0.399 20 0 FCADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001205228956 1223318598 /nfs/dbraw/zinc/31/85/98/1223318598.db2.gz KUNHGUGNNCACBP-IBGZPJMESA-N 3 0 358.490 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001205340334 1223320653 /nfs/dbraw/zinc/32/06/53/1223320653.db2.gz XAASUXZUUUMUBR-BPQIPLTHSA-N 2 0 363.506 0.412 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205433071 1223323380 /nfs/dbraw/zinc/32/33/80/1223323380.db2.gz YCJMJRZDSUKPLG-GVDBMIGSSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F)C(N)=O ZINC001205645223 1223334221 /nfs/dbraw/zinc/33/42/21/1223334221.db2.gz XLZQBQARVUECNK-JLJPHGGASA-N 2 0 364.465 0.925 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205668878 1223334471 /nfs/dbraw/zinc/33/44/71/1223334471.db2.gz XBYFNWSLTVYJSL-UKPHBRMFSA-N 2 0 364.465 0.925 20 0 FCADRP CN1CCN(c2ncnc3c2CC[N@H+](Cc2ccc[nH]c2=O)CC3)CC1 ZINC001207006589 1223404545 /nfs/dbraw/zinc/40/45/45/1223404545.db2.gz IYVYEXXRMBCRQN-UHFFFAOYSA-N 2 0 354.458 0.930 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207482576 1223449574 /nfs/dbraw/zinc/44/95/74/1223449574.db2.gz ONJGCJDEUZTVDY-FQEVSTJZSA-N 2 0 366.550 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001207538662 1223453576 /nfs/dbraw/zinc/45/35/76/1223453576.db2.gz SKQPXJVEYXVNHM-NXHRZFHOSA-N 2 0 369.506 0.075 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092063 1223515822 /nfs/dbraw/zinc/51/58/22/1223515822.db2.gz IEJBKBKVHQRINU-SZVBFZGTSA-N 2 0 363.502 0.848 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3CC[C@]4(CCN(CC[NH+](C)C)C4=O)C3)ccc21 ZINC001276567138 1223532382 /nfs/dbraw/zinc/53/23/82/1223532382.db2.gz VYYJXXCPYGAQBK-IBGZPJMESA-N 2 0 356.474 0.954 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412965 1223541987 /nfs/dbraw/zinc/54/19/87/1223541987.db2.gz UYQXQQQZARSSDP-LTIDMASMSA-N 2 0 367.538 0.861 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001208601321 1223562570 /nfs/dbraw/zinc/56/25/70/1223562570.db2.gz XVJSWJKYTQBTNT-RTBURBONSA-N 3 0 366.550 0.829 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1n[nH]nc1C(=O)NC ZINC001208742555 1223574906 /nfs/dbraw/zinc/57/49/06/1223574906.db2.gz AGFYEDITFFIILW-GFCCVEGCSA-N 2 0 366.470 0.044 20 0 FCADRP c1cc(C[NH+]2CCO[C@@H]3C[N@H+](CCN4CCOCC4)CC[C@@H]3C2)ccn1 ZINC001209290717 1223608674 /nfs/dbraw/zinc/60/86/74/1223608674.db2.gz VOPBOEIUKGQKQT-WOJBJXKFSA-N 2 0 360.502 0.937 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001209562173 1223631364 /nfs/dbraw/zinc/63/13/64/1223631364.db2.gz QEOVWXBZIMBDEJ-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)C(C)C ZINC001209584896 1223632984 /nfs/dbraw/zinc/63/29/84/1223632984.db2.gz CPFFNYJGUCSNIL-BRWVUGGUSA-N 2 0 367.538 0.815 20 0 FCADRP CCn1ccnc1CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836145 1223653027 /nfs/dbraw/zinc/65/30/27/1223653027.db2.gz GXGBZOZJGHECBV-NVXWUHKLSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298985 1223681254 /nfs/dbraw/zinc/68/12/54/1223681254.db2.gz WBPNVZFSNWVFDK-OWCLPIDISA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315614 1223682285 /nfs/dbraw/zinc/68/22/85/1223682285.db2.gz SYSHXVGVSRARHD-HUUCEWRRSA-N 2 0 371.526 0.099 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210528797 1223696052 /nfs/dbraw/zinc/69/60/52/1223696052.db2.gz HUAUDTPPUHKVGE-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP CC(C)CN(C(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2)C1)C1CC1 ZINC001211451686 1223743491 /nfs/dbraw/zinc/74/34/91/1223743491.db2.gz FRBMRNMXKPWESL-NVXWUHKLSA-N 2 0 361.490 0.967 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001213455497 1223801203 /nfs/dbraw/zinc/80/12/03/1223801203.db2.gz DXAZLBVPTHSZLY-KZNAEPCWSA-N 2 0 371.522 0.728 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576348 1223816343 /nfs/dbraw/zinc/81/63/43/1223816343.db2.gz KRESBHXHZXYNLY-KZNAEPCWSA-N 2 0 369.506 0.341 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1)OC ZINC001213576042 1223816439 /nfs/dbraw/zinc/81/64/39/1223816439.db2.gz FPUWMUYZZYXTLD-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638245 1223825440 /nfs/dbraw/zinc/82/54/40/1223825440.db2.gz GBVNGCFILBXWBF-QZTJIDSGSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1CN(Cc2ccc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728900 1223840357 /nfs/dbraw/zinc/84/03/57/1223840357.db2.gz YVXDOYDJYNNQRR-QZTJIDSGSA-N 2 0 364.490 0.592 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213756253 1223844879 /nfs/dbraw/zinc/84/48/79/1223844879.db2.gz OMZWYQNZNHQFTI-IAGOWNOFSA-N 2 0 364.490 0.433 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001214780256 1223941730 /nfs/dbraw/zinc/94/17/30/1223941730.db2.gz RUCAHISYCGMKGG-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001214847673 1223948028 /nfs/dbraw/zinc/94/80/28/1223948028.db2.gz NKZZDUBBCMYNRC-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214856231 1223948527 /nfs/dbraw/zinc/94/85/27/1223948527.db2.gz YLKHJPFKXBLBLU-SUYBPPKGSA-N 2 0 360.462 0.192 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214855290 1223948558 /nfs/dbraw/zinc/94/85/58/1223948558.db2.gz BKHGXIRZLBSNRG-YUELXQCFSA-N 2 0 365.478 0.025 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214855663 1223948693 /nfs/dbraw/zinc/94/86/93/1223948693.db2.gz KJGCNWFRSBSEKQ-FVQBIDKESA-N 2 0 367.538 0.861 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214863810 1223949205 /nfs/dbraw/zinc/94/92/05/1223949205.db2.gz XKAZJGQZKWBCKK-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001215003446 1223962892 /nfs/dbraw/zinc/96/28/92/1223962892.db2.gz DGWJTAXSTDUOJT-OWCLPIDISA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001215015277 1223964461 /nfs/dbraw/zinc/96/44/61/1223964461.db2.gz PWFOQIKFVXBIGE-HYVNUMGLSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215057095 1223969001 /nfs/dbraw/zinc/96/90/01/1223969001.db2.gz WNGKYZUBZMTSTR-NVXWUHKLSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215058584 1223969629 /nfs/dbraw/zinc/96/96/29/1223969629.db2.gz YSVOBFJWRGSBOT-ZIAGYGMSSA-N 2 0 361.446 0.678 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215121895 1223975535 /nfs/dbraw/zinc/97/55/35/1223975535.db2.gz IHHLXBIRASYYLS-FRFSOERESA-N 2 0 359.430 0.325 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298758 1223991184 /nfs/dbraw/zinc/99/11/84/1223991184.db2.gz GHYDJCAVVRIMPY-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001215423881 1223998758 /nfs/dbraw/zinc/99/87/58/1223998758.db2.gz WAJGIUUOKGDHOF-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001215458967 1224000609 /nfs/dbraw/zinc/00/06/09/1224000609.db2.gz RTLCTKYFAASPAD-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518958 1224003897 /nfs/dbraw/zinc/00/38/97/1224003897.db2.gz SAVVNBNKMXOIJU-KFWWJZLASA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215568397 1224006623 /nfs/dbraw/zinc/00/66/23/1224006623.db2.gz OEAFEFJWMUMMDC-BRWVUGGUSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1)[NH+]1CCCC1 ZINC001215599093 1224008935 /nfs/dbraw/zinc/00/89/35/1224008935.db2.gz QTJCNVSWTOWCHE-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215606274 1224009305 /nfs/dbraw/zinc/00/93/05/1224009305.db2.gz TYXHKXSHZCDVIW-OQIJWPOYSA-N 2 0 372.513 0.857 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC000978183589 1248719514 /nfs/dbraw/zinc/71/95/14/1248719514.db2.gz VDCGMTCCXOUUCJ-NNPSNHGLSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216053397 1224031662 /nfs/dbraw/zinc/03/16/62/1224031662.db2.gz LFOLXIGYSLYZLY-KZNAEPCWSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001216090152 1224033551 /nfs/dbraw/zinc/03/35/51/1224033551.db2.gz AUIRUNQBMUWXLQ-GDBMZVCRSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216406114 1224049046 /nfs/dbraw/zinc/04/90/46/1224049046.db2.gz ZESOUZRAQSOMCQ-HUUCEWRRSA-N 2 0 365.522 0.616 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757933 1224069342 /nfs/dbraw/zinc/06/93/42/1224069342.db2.gz RVJQIQWRPKHHIC-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853782 1224078924 /nfs/dbraw/zinc/07/89/24/1224078924.db2.gz LYMJEEHENUCBBX-IXDOHACOSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000983929371 1248791070 /nfs/dbraw/zinc/79/10/70/1248791070.db2.gz NODHRBZNENJNMZ-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985440107 1248923181 /nfs/dbraw/zinc/92/31/81/1248923181.db2.gz FJQOMFWZBDIWKF-DLBZAZTESA-N 2 0 365.522 0.665 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000993876367 1250037747 /nfs/dbraw/zinc/03/77/47/1250037747.db2.gz WQYREAHPDFQGAC-BFYDXBDKSA-N 2 0 366.506 0.012 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000848931891 1245387761 /nfs/dbraw/zinc/38/77/61/1245387761.db2.gz IHHRIHQPPWYCAX-NCOADZHNSA-N 2 0 364.490 0.099 20 0 FCADRP CC(C)[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000849111240 1245392446 /nfs/dbraw/zinc/39/24/46/1245392446.db2.gz XFVGSURUDIDNIS-HNNXBMFYSA-N 2 0 370.542 0.897 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891492185 1245451800 /nfs/dbraw/zinc/45/18/00/1245451800.db2.gz FYHMMFKVHPLGIJ-QGZVFWFLSA-N 2 0 368.522 0.945 20 0 FCADRP CCN(C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000891497207 1245452282 /nfs/dbraw/zinc/45/22/82/1245452282.db2.gz GNTBPUHYGHBLSW-QGZVFWFLSA-N 2 0 361.490 0.871 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563254 1245455605 /nfs/dbraw/zinc/45/56/05/1245455605.db2.gz BRVQHQXSJBSKHL-DLBZAZTESA-N 2 0 367.538 0.470 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000911517774 1245504059 /nfs/dbraw/zinc/50/40/59/1245504059.db2.gz MLOXYFVKNIEULA-BMGDILEWSA-N 2 0 358.486 0.966 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516410 1245504360 /nfs/dbraw/zinc/50/43/60/1245504360.db2.gz BTPXMKWMXDJKTI-QZTJIDSGSA-N 2 0 370.453 0.911 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@H]21 ZINC000911517258 1245504624 /nfs/dbraw/zinc/50/46/24/1245504624.db2.gz QZIANCLOUSRWMT-DZOHQFGASA-N 2 0 356.470 0.670 20 0 FCADRP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282238 1245705574 /nfs/dbraw/zinc/70/55/74/1245705574.db2.gz UGRNZYXWFJBWOS-HZPDHXFCSA-N 2 0 365.474 0.612 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000923328067 1245709106 /nfs/dbraw/zinc/70/91/06/1245709106.db2.gz JNMAZPHEIUVDRE-WNRNVDISSA-N 2 0 369.506 0.123 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400079 1245714366 /nfs/dbraw/zinc/71/43/66/1245714366.db2.gz WKHIJNTYKAUGGF-JKSUJKDBSA-N 3 0 360.506 0.377 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400076 1245715489 /nfs/dbraw/zinc/71/54/89/1245715489.db2.gz WKHIJNTYKAUGGF-CVEARBPZSA-N 3 0 360.506 0.377 20 0 FCADRP CO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941375230 1246583954 /nfs/dbraw/zinc/58/39/54/1246583954.db2.gz LSCPFMFSHKMUBN-BZUAXINKSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941375938 1246585700 /nfs/dbraw/zinc/58/57/00/1246585700.db2.gz XFIJUACEXGAJIE-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941377523 1246586711 /nfs/dbraw/zinc/58/67/11/1246586711.db2.gz MHGYQYMWCQWLIY-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994219583 1250292601 /nfs/dbraw/zinc/29/26/01/1250292601.db2.gz RKQFTHQAIFVFTA-OLMNPRSZSA-N 2 0 364.534 0.879 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553414 1247128841 /nfs/dbraw/zinc/12/88/41/1247128841.db2.gz WWGOLILTOPPVNN-USXIJHARSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000942595690 1247152309 /nfs/dbraw/zinc/15/23/09/1247152309.db2.gz FKAYRPMCKCWXRT-BRWVUGGUSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620110 1247370880 /nfs/dbraw/zinc/37/08/80/1247370880.db2.gz BQDLMTJZDLKDDI-BZUAXINKSA-N 2 0 366.506 0.010 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001327813984 1265433213 /nfs/dbraw/zinc/43/32/13/1265433213.db2.gz UDXYYROZMHMNOP-SFHVURJKSA-N 2 0 358.486 0.931 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC000946841892 1248040388 /nfs/dbraw/zinc/04/03/88/1248040388.db2.gz FJVYAKZBXFXUOM-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327984354 1265467776 /nfs/dbraw/zinc/46/77/76/1265467776.db2.gz KZBYUDFCWOVWQT-ROUUACIJSA-N 2 0 366.506 0.792 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+]1C ZINC000976758265 1248391749 /nfs/dbraw/zinc/39/17/49/1248391749.db2.gz YHUIFNCYYRIFGV-BGGRMZJKSA-N 2 0 371.485 0.817 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335020 1250383654 /nfs/dbraw/zinc/38/36/54/1250383654.db2.gz FILJIXISAPJXTR-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335612 1250385848 /nfs/dbraw/zinc/38/58/48/1250385848.db2.gz JXBQLFINDBJJNZ-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)C1 ZINC000995307216 1250793128 /nfs/dbraw/zinc/79/31/28/1250793128.db2.gz PURCRMRJAYQJIX-MBOZVWFJSA-N 2 0 362.518 0.921 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001328410555 1265541111 /nfs/dbraw/zinc/54/11/11/1265541111.db2.gz RGQPZBYAYCGSLT-SFHVURJKSA-N 2 0 367.538 0.567 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC000995908229 1251047845 /nfs/dbraw/zinc/04/78/45/1251047845.db2.gz JUOPBVLLESJJMF-LTIDMASMSA-N 2 0 360.502 0.957 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC000996538727 1251374084 /nfs/dbraw/zinc/37/40/84/1251374084.db2.gz NTQZCGBWOLWROO-YVSFHVDLSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000996542864 1251375919 /nfs/dbraw/zinc/37/59/19/1251375919.db2.gz BOQJRBVRYRTUHF-NCOADZHNSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC000996560772 1251387612 /nfs/dbraw/zinc/38/76/12/1251387612.db2.gz TZNHDMMQHVMUPN-IKGGRYGDSA-N 2 0 360.502 0.959 20 0 FCADRP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC000996716882 1251423531 /nfs/dbraw/zinc/42/35/31/1251423531.db2.gz VDNNPLQHHGVLDJ-YRXWBPOGSA-N 2 0 374.529 0.918 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001328732319 1265603961 /nfs/dbraw/zinc/60/39/61/1265603961.db2.gz JFXZDLSFQBCUHQ-INIZCTEOSA-N 2 0 368.522 0.500 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2)C12CC[NH+](CC1)C2 ZINC000998658158 1251944120 /nfs/dbraw/zinc/94/41/20/1251944120.db2.gz KGRUQCSSQOZUCT-BDXSIMOUSA-N 2 0 372.513 0.672 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(F)c1F ZINC001328844213 1265625109 /nfs/dbraw/zinc/62/51/09/1265625109.db2.gz PMDZJOKWTLAIMX-UHFFFAOYSA-N 2 0 370.444 0.575 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)CC2)CC[N@@H+]1C ZINC001000159453 1252270895 /nfs/dbraw/zinc/27/08/95/1252270895.db2.gz AKNXMBRGAHZGHW-DJIMGWMZSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001001870945 1252385105 /nfs/dbraw/zinc/38/51/05/1252385105.db2.gz QVDBIBWFVZHMLK-MSOLQXFVSA-N 2 0 358.486 0.645 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001001878958 1252388157 /nfs/dbraw/zinc/38/81/57/1252388157.db2.gz GRXWEHVWXWUDFO-HYVNUMGLSA-N 2 0 366.506 0.153 20 0 FCADRP Cc1nccn1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002528245 1252590121 /nfs/dbraw/zinc/59/01/21/1252590121.db2.gz MNBWXWMOFSYFRB-DJIMGWMZSA-N 2 0 361.490 0.981 20 0 FCADRP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950182 1252749054 /nfs/dbraw/zinc/74/90/54/1252749054.db2.gz VZLUNLRQBKHQMX-XDNAFOTISA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@@H+]1C ZINC001003224419 1252814864 /nfs/dbraw/zinc/81/48/64/1252814864.db2.gz IKDANFBZBGRIIS-CXAGYDPISA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@@H+]1C ZINC001003391605 1252886117 /nfs/dbraw/zinc/88/61/17/1252886117.db2.gz OPIDDPAIWYICRH-CXAGYDPISA-N 2 0 355.442 0.863 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001003746816 1253088664 /nfs/dbraw/zinc/08/86/64/1253088664.db2.gz STHORGYEAVGILO-HCXYKTFWSA-N 2 0 374.529 0.918 20 0 FCADRP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncn1C ZINC001004212245 1253249139 /nfs/dbraw/zinc/24/91/39/1253249139.db2.gz XLOKMVKTIPHDSD-BMFZPTHFSA-N 2 0 356.430 0.416 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001026496560 1253846236 /nfs/dbraw/zinc/84/62/36/1253846236.db2.gz KDQWMSQVWSGTBD-PRLABOORSA-N 2 0 364.490 0.493 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001029742453 1253870349 /nfs/dbraw/zinc/87/03/49/1253870349.db2.gz TVNMJYWHRJPTLT-QLFBSQMISA-N 2 0 364.494 0.119 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001034648530 1253999418 /nfs/dbraw/zinc/99/94/18/1253999418.db2.gz KDQWMSQVWSGTBD-KLHDSHLOSA-N 2 0 364.490 0.493 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001034647624 1253999500 /nfs/dbraw/zinc/99/95/00/1253999500.db2.gz NZGQUDYYZKAFTQ-QBPKDAKJSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035709160 1254057359 /nfs/dbraw/zinc/05/73/59/1254057359.db2.gz QNQTYESBEUQPOV-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061675686 1254203517 /nfs/dbraw/zinc/20/35/17/1254203517.db2.gz SOGSRMFBVYZYOW-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065206578 1254488110 /nfs/dbraw/zinc/48/81/10/1254488110.db2.gz MASXEUWAYKNLAC-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065406892 1254527515 /nfs/dbraw/zinc/52/75/15/1254527515.db2.gz OVIBIDCXKDUYPM-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001077618934 1254786896 /nfs/dbraw/zinc/78/68/96/1254786896.db2.gz WCOPRYCRKLUEMS-GUDVDZBRSA-N 2 0 361.486 0.877 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)CC2)CC1 ZINC001330085007 1265939461 /nfs/dbraw/zinc/93/94/61/1265939461.db2.gz JURPKJPFLMYWQJ-VDZJLULYSA-N 2 0 362.518 0.776 20 0 FCADRP COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175800 1255289564 /nfs/dbraw/zinc/28/95/64/1255289564.db2.gz MSUMOPRGSOHFOF-QXAKKESOSA-N 2 0 361.486 0.741 20 0 FCADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405591 1255409135 /nfs/dbraw/zinc/40/91/35/1255409135.db2.gz SFNVJDYMDKQODD-BPQIPLTHSA-N 2 0 363.506 0.776 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001079299032 1255503590 /nfs/dbraw/zinc/50/35/90/1255503590.db2.gz SVAKSEIPYQRIEF-LESCRADOSA-N 2 0 362.449 0.535 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844826 1255629995 /nfs/dbraw/zinc/62/99/95/1255629995.db2.gz DAETXSKEDMHGEM-BRWVUGGUSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949100 1255675574 /nfs/dbraw/zinc/67/55/74/1255675574.db2.gz OYLPPMLASTYYLZ-HZPDHXFCSA-N 2 0 363.506 0.324 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080332111 1255844756 /nfs/dbraw/zinc/84/47/56/1255844756.db2.gz IPGWTPZQGAVZDQ-FXUDXRNXSA-N 2 0 364.490 0.302 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559179 1255930118 /nfs/dbraw/zinc/93/01/18/1255930118.db2.gz YVBOHVPYWQHXCC-BPQIPLTHSA-N 2 0 363.506 0.412 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001081229742 1256213290 /nfs/dbraw/zinc/21/32/90/1256213290.db2.gz YPLMGHPSRXMOIX-GBESFXJTSA-N 2 0 370.497 0.897 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001081229743 1256213463 /nfs/dbraw/zinc/21/34/63/1256213463.db2.gz YPLMGHPSRXMOIX-IPMKNSEASA-N 2 0 370.497 0.897 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001330543450 1266056033 /nfs/dbraw/zinc/05/60/33/1266056033.db2.gz ITTBGUCBTXVMAY-QGZVFWFLSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082557054 1256851878 /nfs/dbraw/zinc/85/18/78/1256851878.db2.gz MXXKMKYMTXRROD-QLFBSQMISA-N 2 0 364.494 0.023 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653488 1256956706 /nfs/dbraw/zinc/95/67/06/1256956706.db2.gz NAUGSZWNMZJQRN-JZMXBONXSA-N 2 0 371.485 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082719682 1257010103 /nfs/dbraw/zinc/01/01/03/1257010103.db2.gz CFIJKPTWOJAXRH-HLLBOEOZSA-N 2 0 366.506 0.012 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)ncn1 ZINC001082828729 1257086489 /nfs/dbraw/zinc/08/64/89/1257086489.db2.gz BQJDCNJMEBDJNG-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105990 1257321038 /nfs/dbraw/zinc/32/10/38/1257321038.db2.gz DUOJIALHLXTYRD-IXDOHACOSA-N 2 0 364.490 0.003 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001521447316 1266123438 /nfs/dbraw/zinc/12/34/38/1266123438.db2.gz ZKTOCJRHFGXEAL-MRXNPFEDSA-N 2 0 370.563 0.954 20 0 FCADRP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968634 1266123635 /nfs/dbraw/zinc/12/36/35/1266123635.db2.gz FGERTMLGZONDLT-PKOBYXMFSA-N 2 0 366.550 0.925 20 0 FCADRP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083954759 1257743421 /nfs/dbraw/zinc/74/34/21/1257743421.db2.gz HJQRZVZERMKUFB-QRQLOZEOSA-N 2 0 361.486 0.877 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)c1ccccc1 ZINC001083959574 1257749540 /nfs/dbraw/zinc/74/95/40/1257749540.db2.gz ZFLXNFYPQPDWSK-FGTMMUONSA-N 2 0 359.470 0.631 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409903 1258087819 /nfs/dbraw/zinc/08/78/19/1258087819.db2.gz OIWMCWOEPLDDDT-HYVNUMGLSA-N 2 0 358.490 0.782 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001331160590 1266160627 /nfs/dbraw/zinc/16/06/27/1266160627.db2.gz JSTLRUJSDNNNEJ-HDICACEKSA-N 2 0 358.486 0.868 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001331164746 1266161639 /nfs/dbraw/zinc/16/16/39/1266161639.db2.gz KBCMOOJRVLGGIK-LZLYRXPVSA-N 2 0 360.502 0.842 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001084631490 1258210471 /nfs/dbraw/zinc/21/04/71/1258210471.db2.gz VNHRMHXCRDXYBX-HZPDHXFCSA-N 2 0 362.474 0.010 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661695 1258224473 /nfs/dbraw/zinc/22/44/73/1258224473.db2.gz FGVDSUVKDXWUKS-KBAYOESNSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001331197306 1266168595 /nfs/dbraw/zinc/16/85/95/1266168595.db2.gz PLRQVAVGFJXYJO-LAQRGFTBSA-N 2 0 358.486 0.961 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001084773070 1258313208 /nfs/dbraw/zinc/31/32/08/1258313208.db2.gz BKDNDVZMMMAYOL-CGTJXYLNSA-N 2 0 358.486 0.760 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001084829899 1258375466 /nfs/dbraw/zinc/37/54/66/1258375466.db2.gz CVKHAVMIVXGZOY-GPMSIDNRSA-N 2 0 368.485 0.953 20 0 FCADRP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001084957586 1258470021 /nfs/dbraw/zinc/47/00/21/1258470021.db2.gz IQRPOSDHOLXNED-QRQLOZEOSA-N 2 0 365.518 0.935 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086734931 1258632737 /nfs/dbraw/zinc/63/27/37/1258632737.db2.gz ZDUDHLVDQIMJIM-LZWOXQAQSA-N 2 0 361.494 0.867 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)nn1 ZINC001088172101 1258693244 /nfs/dbraw/zinc/69/32/44/1258693244.db2.gz WDPGXJPIGLQUCK-CVEARBPZSA-N 2 0 371.485 0.861 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088211796 1258734280 /nfs/dbraw/zinc/73/42/80/1258734280.db2.gz AQWBYXMUQBDKNY-MSOLQXFVSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088749270 1258757179 /nfs/dbraw/zinc/75/71/79/1258757179.db2.gz SCCBIEWZTCILHB-CJNGLKHVSA-N 2 0 369.425 0.676 20 0 FCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC001331425835 1266214073 /nfs/dbraw/zinc/21/40/73/1266214073.db2.gz LDBLJVNJVBTYMZ-LJQANCHMSA-N 2 0 372.513 0.396 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](C)[NH2+]C)cc2)CC1 ZINC001331415180 1266211710 /nfs/dbraw/zinc/21/17/10/1266211710.db2.gz FXOCPYQNCDBULL-HNNXBMFYSA-N 2 0 361.490 0.881 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331416676 1266213262 /nfs/dbraw/zinc/21/32/62/1266213262.db2.gz VVTBUOJLIOGLFP-INIZCTEOSA-N 2 0 373.501 0.801 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100344949 1258908225 /nfs/dbraw/zinc/90/82/25/1258908225.db2.gz KIXKDWCLJBDBAW-PFSRBDOWSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001106591365 1258927533 /nfs/dbraw/zinc/92/75/33/1258927533.db2.gz YKCAKGOVKASVTL-NVXWUHKLSA-N 2 0 360.502 0.911 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1 ZINC001106592523 1258927572 /nfs/dbraw/zinc/92/75/72/1258927572.db2.gz SKHRREAHPPQFLW-RHSMWYFYSA-N 2 0 362.522 0.921 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666459 1258937255 /nfs/dbraw/zinc/93/72/55/1258937255.db2.gz LJLYBWLNTCCSPJ-JFIYKMOQSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106668156 1258937982 /nfs/dbraw/zinc/93/79/82/1258937982.db2.gz FTHQSHCYYZMHTP-HZPDHXFCSA-N 2 0 365.522 0.428 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001106778294 1258961422 /nfs/dbraw/zinc/96/14/22/1258961422.db2.gz CWZYZNXVUSRJEH-HUUCEWRRSA-N 2 0 364.494 0.334 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001106779559 1258961573 /nfs/dbraw/zinc/96/15/73/1258961573.db2.gz RQYHWMQRNBIFHQ-HUUCEWRRSA-N 2 0 365.526 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106807778 1258967902 /nfs/dbraw/zinc/96/79/02/1258967902.db2.gz BKFBYZZNEIRLTN-HUUCEWRRSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106878728 1258986055 /nfs/dbraw/zinc/98/60/55/1258986055.db2.gz ZGCSRVILODQKBB-NVXWUHKLSA-N 2 0 368.522 0.117 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878685 1258986264 /nfs/dbraw/zinc/98/62/64/1258986264.db2.gz XKTKLNGSHDJNSA-BRWVUGGUSA-N 2 0 370.538 0.409 20 0 FCADRP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882117 1258987055 /nfs/dbraw/zinc/98/70/55/1258987055.db2.gz PZTPJFMQLHKLAH-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106897427 1258991929 /nfs/dbraw/zinc/99/19/29/1258991929.db2.gz GHQBUBYDKWAABC-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106981041 1259010235 /nfs/dbraw/zinc/01/02/35/1259010235.db2.gz FIIAUNGUFDQMJF-OWCLPIDISA-N 2 0 367.538 0.720 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001107039214 1259023109 /nfs/dbraw/zinc/02/31/09/1259023109.db2.gz NCTKNMHCFXUJKL-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001107042567 1259023962 /nfs/dbraw/zinc/02/39/62/1259023962.db2.gz SEAWZZZDQRTHPL-IXDOHACOSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001107071919 1259027258 /nfs/dbraw/zinc/02/72/58/1259027258.db2.gz WAWRLRAQSHYVNO-HZPDHXFCSA-N 2 0 363.510 0.660 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[C@@H]1C[NH+]2CCC1CC2 ZINC001107409592 1259078556 /nfs/dbraw/zinc/07/85/56/1259078556.db2.gz ZVERXOVMCLBBAY-QWFCFKBJSA-N 2 0 365.518 0.698 20 0 FCADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2)[NH+](C)C ZINC001107555203 1259116022 /nfs/dbraw/zinc/11/60/22/1259116022.db2.gz XAQKMTLVEOHUDU-FRQCXROJSA-N 2 0 365.522 0.713 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC001117981680 1259170435 /nfs/dbraw/zinc/17/04/35/1259170435.db2.gz ZCARFDIQJLVASF-GOSISDBHSA-N 2 0 358.486 0.898 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571652 1259181149 /nfs/dbraw/zinc/18/11/49/1259181149.db2.gz VYDGWWLHCQORTP-LESCRADOSA-N 2 0 368.522 0.354 20 0 FCADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571702 1259181835 /nfs/dbraw/zinc/18/18/35/1259181835.db2.gz YPYKKNVFXDTVOC-ZACQAIPSSA-N 2 0 368.522 0.483 20 0 FCADRP Cc1ccccc1CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643644 1259182863 /nfs/dbraw/zinc/18/28/63/1259182863.db2.gz FEMAJHPOXAKYNC-SJLPKXTDSA-N 2 0 360.502 0.700 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003784 1259286145 /nfs/dbraw/zinc/28/61/45/1259286145.db2.gz GVSRQUYIVCGRPI-VQHPVUNQSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)OCCN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048703 1259297751 /nfs/dbraw/zinc/29/77/51/1259297751.db2.gz HFULIMCIWYYAIJ-CVEARBPZSA-N 2 0 364.494 0.529 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129055077 1259300930 /nfs/dbraw/zinc/30/09/30/1259300930.db2.gz SSLGSOHIFVWNQX-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129064448 1259303446 /nfs/dbraw/zinc/30/34/46/1259303446.db2.gz GAVBFYOIAUGHFG-CVEARBPZSA-N 2 0 364.494 0.386 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129078714 1259307555 /nfs/dbraw/zinc/30/75/55/1259307555.db2.gz DLWGMTVELVJDRP-SJORKVTESA-N 2 0 357.462 0.951 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129204806 1259343754 /nfs/dbraw/zinc/34/37/54/1259343754.db2.gz KGSPFKLJXKWXQD-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219914 1259347144 /nfs/dbraw/zinc/34/71/44/1259347144.db2.gz NPIPEQANDVODMB-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1 ZINC001129228404 1259348972 /nfs/dbraw/zinc/34/89/72/1259348972.db2.gz QZGIMXQSSBBLNN-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1 ZINC001129228403 1259349194 /nfs/dbraw/zinc/34/91/94/1259349194.db2.gz QZGIMXQSSBBLNN-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@H](c2cc3ccccc3o2)N2CCC[NH2+]CC2)C[C@H]1O ZINC001160655188 1259385944 /nfs/dbraw/zinc/38/59/44/1259385944.db2.gz JOUOCJINCDOTDN-MDZRGWNJSA-N 2 0 372.469 0.690 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC001200635592 1259418913 /nfs/dbraw/zinc/41/89/13/1259418913.db2.gz ALEJFRVVPWRHDC-UKRRQHHQSA-N 2 0 363.462 0.842 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644131 1259419052 /nfs/dbraw/zinc/41/90/52/1259419052.db2.gz JSTPFUDAVRQMNJ-ZMSDIMECSA-N 2 0 368.522 0.448 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418559 1259497495 /nfs/dbraw/zinc/49/74/95/1259497495.db2.gz JHXDDRLYGHDCRT-KZNAEPCWSA-N 2 0 369.506 0.482 20 0 FCADRP Cc1c[nH]c(=O)c(CN2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001233189908 1259547310 /nfs/dbraw/zinc/54/73/10/1259547310.db2.gz JEKOQDITQGJHLA-UHFFFAOYSA-N 2 0 359.430 0.933 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCN4CC[NH2+]C[C@@H]4C3)cnc12 ZINC001234981111 1259565988 /nfs/dbraw/zinc/56/59/88/1259565988.db2.gz VLSSKVNNCVAHLW-QGZVFWFLSA-N 2 0 355.490 0.286 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCNC[C@@]34CC[NH2+]C4)cnc12 ZINC001234985700 1259566017 /nfs/dbraw/zinc/56/60/17/1259566017.db2.gz DULWXOXFDTXGOD-IBGZPJMESA-N 3 0 355.490 0.334 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001234998473 1259566515 /nfs/dbraw/zinc/56/65/15/1259566515.db2.gz NTVBEFQSMRZKHQ-HXUWFJFHSA-N 2 0 360.502 0.283 20 0 FCADRP C[C@H]1CNCC(F)(F)[C@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206127 1259569362 /nfs/dbraw/zinc/56/93/62/1259569362.db2.gz RSBWRKHQISQVDF-GJZGRUSLSA-N 2 0 371.476 0.951 20 0 FCADRP COC(=O)[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCN1 ZINC001235439973 1259571569 /nfs/dbraw/zinc/57/15/69/1259571569.db2.gz AXRVWBQMQQAZHP-MRXNPFEDSA-N 2 0 358.446 0.143 20 0 FCADRP OC1CCN(c2ccccc2CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235869614 1259582370 /nfs/dbraw/zinc/58/23/70/1259582370.db2.gz CQOMPONLWGFDAU-UHFFFAOYSA-N 2 0 361.534 0.232 20 0 FCADRP COc1ccc(-c2c(CN3CC[NH2+]CCNCC[NH2+]CC3)cnn2C)cc1 ZINC001235870961 1259582509 /nfs/dbraw/zinc/58/25/09/1259582509.db2.gz NUYWWQWCXJXMMQ-UHFFFAOYSA-N 2 0 372.517 0.680 20 0 FCADRP COc1ccc2nccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c2c1 ZINC001236311041 1259588298 /nfs/dbraw/zinc/58/82/98/1259588298.db2.gz PAXVMAZEULPBFS-UHFFFAOYSA-N 2 0 359.474 0.859 20 0 FCADRP C[NH+]1CCC(N(C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C2CC[NH2+]CC2)CC1 ZINC001237036759 1259594785 /nfs/dbraw/zinc/59/47/85/1259594785.db2.gz CEYQWEXVHAPGGR-MHORFTMASA-N 2 0 369.506 0.372 20 0 FCADRP COc1cc(N2CC[NH2+]CC2)ccc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001244286758 1259638256 /nfs/dbraw/zinc/63/82/56/1259638256.db2.gz ICMNVQMACCZAAL-UHFFFAOYSA-N 2 0 354.458 0.971 20 0 FCADRP O=C(c1cccc(NC[C@H](O)CC2(O)CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC001245968207 1259641779 /nfs/dbraw/zinc/64/17/79/1259641779.db2.gz BVWAKZQUCRTZIG-QGZVFWFLSA-N 2 0 362.474 0.009 20 0 FCADRP CCOC(=O)C[C@]1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]C1 ZINC001245979384 1259642620 /nfs/dbraw/zinc/64/26/20/1259642620.db2.gz IVHHBARYFUBNJT-LZLYRXPVSA-N 2 0 371.428 0.470 20 0 FCADRP O[C@@H](C[NH2+]CC1(c2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245992617 1259642879 /nfs/dbraw/zinc/64/28/79/1259642879.db2.gz ZEPVBCDNFBHDFR-GOSISDBHSA-N 3 0 365.493 0.902 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245984726 1259643841 /nfs/dbraw/zinc/64/38/41/1259643841.db2.gz XVCXYAZQDNHBAP-MWDXBVQZSA-N 2 0 371.428 0.326 20 0 FCADRP CC(C)c1ccc(OC[C@@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246058497 1259645479 /nfs/dbraw/zinc/64/54/79/1259645479.db2.gz WCIGRQAMVYZSFO-IBGZPJMESA-N 2 0 364.534 0.634 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001246052738 1259645574 /nfs/dbraw/zinc/64/55/74/1259645574.db2.gz NWVTZDGMDZJGNT-RBUKOAKNSA-N 3 0 368.472 0.565 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001246032929 1259646175 /nfs/dbraw/zinc/64/61/75/1259646175.db2.gz ZVSXMMMWIPMNMN-IPMKNSEASA-N 2 0 368.472 0.613 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)COCc3ccccc3)C[C@H]1C2 ZINC001246048577 1259647197 /nfs/dbraw/zinc/64/71/97/1259647197.db2.gz ZAANCLYIKZQAON-YRIDSSQKSA-N 2 0 374.481 0.895 20 0 FCADRP Fc1cccc(-c2nnn3c2CO[C@@H](C[NH2+][C@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246154276 1259647636 /nfs/dbraw/zinc/64/76/36/1259647636.db2.gz AZERDFVFEUWPHZ-HOTGVXAUSA-N 2 0 372.448 0.667 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CC2=O)cc1 ZINC001246085011 1259648957 /nfs/dbraw/zinc/64/89/57/1259648957.db2.gz VJJPNVHVMGOWOL-VDZJLULYSA-N 2 0 365.449 0.838 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)CN1 ZINC001246191946 1259650302 /nfs/dbraw/zinc/65/03/02/1259650302.db2.gz BMTRBRLKMSYGFK-OALUTQOASA-N 2 0 360.502 0.817 20 0 FCADRP c1c2c(nn1Cc1ccccn1)[C@H](C[NH2+][C@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246159369 1259650488 /nfs/dbraw/zinc/65/04/88/1259650488.db2.gz WBDFNZOZYHQOMV-WMZOPIPTSA-N 2 0 368.485 0.624 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CNCCN3)CC2=O)c(OC)c1 ZINC001246489770 1259653750 /nfs/dbraw/zinc/65/37/50/1259653750.db2.gz ATSYSWKGEHBRMA-HZPDHXFCSA-N 2 0 362.474 0.346 20 0 FCADRP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564944 1259654238 /nfs/dbraw/zinc/65/42/38/1259654238.db2.gz GVUNMFREISFZKF-VVLHAWIVSA-N 2 0 361.442 0.227 20 0 FCADRP O=C1NCC[C@]12CN([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631930 1259656165 /nfs/dbraw/zinc/65/61/65/1259656165.db2.gz YBADMZLZZGRRCO-LQWHRVPQSA-N 2 0 354.498 0.761 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CN[C@@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682887 1259660059 /nfs/dbraw/zinc/66/00/59/1259660059.db2.gz OMXKWMKCGSYKDT-QGWWYQLQSA-N 2 0 367.490 0.535 20 0 FCADRP O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246701328 1259664925 /nfs/dbraw/zinc/66/49/25/1259664925.db2.gz LQFMBHCMICSROB-CWLKWCNXSA-N 2 0 374.485 0.469 20 0 FCADRP Cn1cccc1C(=O)N[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@@H]21 ZINC001246713274 1259665768 /nfs/dbraw/zinc/66/57/68/1259665768.db2.gz DYWUFHZICNDBAK-KYHPRHEASA-N 2 0 373.501 0.081 20 0 FCADRP Fc1cccnc1N([C@H]1CO[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246710323 1259666497 /nfs/dbraw/zinc/66/64/97/1259666497.db2.gz URBOZKNMVUQZPC-CLCXKQKWSA-N 2 0 361.465 0.642 20 0 FCADRP O=C(c1cnccn1)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737831 1259672153 /nfs/dbraw/zinc/67/21/53/1259672153.db2.gz KATDAMZNBXTZLE-VQIMIIECSA-N 2 0 370.501 0.499 20 0 FCADRP O=C(c1cnccn1)N1CCC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246731805 1259672348 /nfs/dbraw/zinc/67/23/48/1259672348.db2.gz CJCWNSOIJGGDLO-MRXNPFEDSA-N 2 0 370.501 0.499 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)c1ccco1 ZINC001246766361 1259686495 /nfs/dbraw/zinc/68/64/95/1259686495.db2.gz MZGQBOXLYRMVSJ-UIBIWLFHSA-N 2 0 374.485 0.440 20 0 FCADRP CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767812 1259687750 /nfs/dbraw/zinc/68/77/50/1259687750.db2.gz NQZCPUABAXGYKO-DLBZAZTESA-N 2 0 364.534 0.677 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1=O ZINC001335498708 1259687918 /nfs/dbraw/zinc/68/79/18/1259687918.db2.gz QWPFASLNGDGYOU-IRXDYDNUSA-N 2 0 353.438 0.628 20 0 FCADRP O=C([C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[NH2+]1)N1CCSC1 ZINC001246881550 1259692423 /nfs/dbraw/zinc/69/24/23/1259692423.db2.gz UUJYTKPIUSMZNF-XSYGEPLQSA-N 2 0 372.538 0.723 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856597 1259693002 /nfs/dbraw/zinc/69/30/02/1259693002.db2.gz FHNMVGSNRUQDOG-HOIZKXCTSA-N 2 0 360.462 0.487 20 0 FCADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859480 1259693779 /nfs/dbraw/zinc/69/37/79/1259693779.db2.gz PEAZRFJVZDIBPP-DINYXHQHSA-N 2 0 366.458 0.428 20 0 FCADRP COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920236 1259694989 /nfs/dbraw/zinc/69/49/89/1259694989.db2.gz DHOPMUSNGHSISE-RBUKOAKNSA-N 2 0 372.513 0.830 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246924344 1259695547 /nfs/dbraw/zinc/69/55/47/1259695547.db2.gz IEYKAMUONCVZOS-OALUTQOASA-N 3 0 361.534 0.466 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@]45C[NH2+]C[C@@H]4CCN5)n3)c2)CC1 ZINC001247833922 1259704603 /nfs/dbraw/zinc/70/46/03/1259704603.db2.gz SIKRPTFKGPTBHJ-KXBFYZLASA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)CC1 ZINC001247831240 1259705381 /nfs/dbraw/zinc/70/53/81/1259705381.db2.gz RGDZADUCJQXCPO-OAHLLOKOSA-N 3 0 354.458 0.765 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@]34C[NH2+]C[C@@H]3CCN4)n2)CC1 ZINC001247835359 1259706792 /nfs/dbraw/zinc/70/67/92/1259706792.db2.gz JJEBUSVVTKHIHB-LIRRHRJNSA-N 2 0 354.458 0.896 20 0 FCADRP C[C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]1CC[NH3+] ZINC001335554434 1259713084 /nfs/dbraw/zinc/71/30/84/1259713084.db2.gz MWWSSLJDULDQQA-MGPQQGTHSA-N 2 0 365.444 0.981 20 0 FCADRP C[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035863 1259733930 /nfs/dbraw/zinc/73/39/30/1259733930.db2.gz PXUANYLLEQNHKX-HXUWFJFHSA-N 2 0 362.518 0.217 20 0 FCADRP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001252416821 1259785015 /nfs/dbraw/zinc/78/50/15/1259785015.db2.gz DCFZGAQNPDCPFH-QGZVFWFLSA-N 2 0 363.458 0.530 20 0 FCADRP C[NH+](C)CCN1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931270 1259812044 /nfs/dbraw/zinc/81/20/44/1259812044.db2.gz JIWCGZYCINJWBX-NRFANRHFSA-N 3 0 374.529 0.719 20 0 FCADRP COC(=O)[C@@H](Cc1c[nH]cn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950849 1259813897 /nfs/dbraw/zinc/81/38/97/1259813897.db2.gz HIWMTPNKGLBBKD-IEBWSBKVSA-N 2 0 358.442 0.720 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001253184593 1259826818 /nfs/dbraw/zinc/82/68/18/1259826818.db2.gz GVWYBPNFMKXQPC-GOSISDBHSA-N 2 0 364.538 0.149 20 0 FCADRP COC(=O)[C@@H]1CN(C)CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040957 1259869697 /nfs/dbraw/zinc/86/96/97/1259869697.db2.gz FTPJAXQGPNPDGB-SFHVURJKSA-N 2 0 361.486 0.803 20 0 FCADRP CN1CCN(C(=O)CC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254050375 1259870768 /nfs/dbraw/zinc/87/07/68/1259870768.db2.gz KUXMNFWUSMNDBI-UHFFFAOYSA-N 2 0 374.529 0.767 20 0 FCADRP CC(=O)N1CCC(N2Cc3nccn3C[C@@H](C[NH+]3CCN(C)CC3)C2)CC1 ZINC001254426126 1259882661 /nfs/dbraw/zinc/88/26/61/1259882661.db2.gz RVJSDABPMHYYEH-GOSISDBHSA-N 2 0 374.533 0.573 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@H]3CCC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522205 1259889275 /nfs/dbraw/zinc/88/92/75/1259889275.db2.gz MPPRKICVUGFVSD-SQGPQFPESA-N 2 0 372.517 0.978 20 0 FCADRP Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523101 1259889718 /nfs/dbraw/zinc/88/97/18/1259889718.db2.gz SBRWPDMUQWIVBQ-BRSBDYLESA-N 2 0 361.490 0.866 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)ccn2)CC1 ZINC001331848354 1266294713 /nfs/dbraw/zinc/29/47/13/1266294713.db2.gz BGUAENFWCOZARV-QFBILLFUSA-N 2 0 358.490 0.917 20 0 FCADRP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])NCCCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256494132 1259953966 /nfs/dbraw/zinc/95/39/66/1259953966.db2.gz KMPFZXCWHVZMPF-STQMWFEESA-N 2 0 371.482 0.780 20 0 FCADRP Cn1cc(N2C[C@@H]3C[N@@H+](C4CCC([NH+]5CCOCC5)CC4)C[C@@H]3C2=O)cn1 ZINC001256692642 1259956919 /nfs/dbraw/zinc/95/69/19/1259956919.db2.gz GWRWDGOOWVUNOO-LOTPSLMQSA-N 2 0 373.501 0.958 20 0 FCADRP CN1CCN(C)C2(CC[NH+](C3CCC([NH+]4CCOCC4)CC3)CC2)C1=O ZINC001256690432 1259957084 /nfs/dbraw/zinc/95/70/84/1259957084.db2.gz HLSPHDMJNNICRP-UHFFFAOYSA-N 2 0 364.534 0.868 20 0 FCADRP O=C(CN1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1)N1CCCC1 ZINC001256695237 1259957147 /nfs/dbraw/zinc/95/71/47/1259957147.db2.gz RRIODNWDQDJCGK-UHFFFAOYSA-N 2 0 364.534 0.870 20 0 FCADRP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)nc12 ZINC001256779052 1259958978 /nfs/dbraw/zinc/95/89/78/1259958978.db2.gz ARSUSGYDDKVEIY-OAHLLOKOSA-N 2 0 357.458 0.712 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001256767127 1259959592 /nfs/dbraw/zinc/95/95/92/1259959592.db2.gz ANNYMOOWUCEZSD-WMLDXEAASA-N 2 0 364.465 0.955 20 0 FCADRP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336057317 1259959675 /nfs/dbraw/zinc/95/96/75/1259959675.db2.gz XSBSHJMJUPZTRW-XMTFNYHQSA-N 2 0 360.502 0.433 20 0 FCADRP CC(C)[NH+]1CCC(N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CC1 ZINC001257212782 1260001438 /nfs/dbraw/zinc/00/14/38/1260001438.db2.gz AJUOXVKFYJOFHM-KRWDZBQOSA-N 2 0 362.474 0.367 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CCC[NH+](C)C)CC2)C[C@H]1C(=O)OC ZINC001257743133 1260027762 /nfs/dbraw/zinc/02/77/62/1260027762.db2.gz JWCMQAMMSLRQQL-BRWVUGGUSA-N 2 0 369.506 0.687 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273178 1260063518 /nfs/dbraw/zinc/06/35/18/1260063518.db2.gz RTLDAMFRNWRZGA-MRXNPFEDSA-N 2 0 351.495 0.468 20 0 FCADRP O=C(C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001331981494 1266311056 /nfs/dbraw/zinc/31/10/56/1266311056.db2.gz QUDIFHNRHDGBOJ-IBGZPJMESA-N 2 0 357.458 0.379 20 0 FCADRP COCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001261493016 1260150018 /nfs/dbraw/zinc/15/00/18/1260150018.db2.gz GMTVIJQKBNJZGE-JKSUJKDBSA-N 2 0 366.506 0.109 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)NC3CC4(CC([NH3+])C4)C3)ccn2)CC1 ZINC001336749062 1260213048 /nfs/dbraw/zinc/21/30/48/1260213048.db2.gz NTKAUEBEFPHRPA-UHFFFAOYSA-N 2 0 358.490 0.903 20 0 FCADRP COC[C@@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCCC[NH2+]1 ZINC001332010856 1266315916 /nfs/dbraw/zinc/31/59/16/1266315916.db2.gz FJGAQPIOKRXMMH-GOSISDBHSA-N 2 0 366.506 0.478 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccccn1 ZINC001336794678 1260224802 /nfs/dbraw/zinc/22/48/02/1260224802.db2.gz MCARCDKPUCIMJN-OALUTQOASA-N 2 0 356.470 0.994 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001262009616 1260244975 /nfs/dbraw/zinc/24/49/75/1260244975.db2.gz CSAWJCLPTCHXTO-HOTGVXAUSA-N 2 0 362.478 0.433 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001262009617 1260245006 /nfs/dbraw/zinc/24/50/06/1260245006.db2.gz CSAWJCLPTCHXTO-HZPDHXFCSA-N 2 0 362.478 0.433 20 0 FCADRP CO[C@H]1COCC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336893027 1260247480 /nfs/dbraw/zinc/24/74/80/1260247480.db2.gz DIWUEIMLIAXYPL-OWLYRPNTSA-N 2 0 366.506 0.648 20 0 FCADRP CO[C@@H]1COCC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336893025 1260247647 /nfs/dbraw/zinc/24/76/47/1260247647.db2.gz DIWUEIMLIAXYPL-DZJNRPSUSA-N 2 0 366.506 0.648 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC001336922499 1260254050 /nfs/dbraw/zinc/25/40/50/1260254050.db2.gz NMPOZDNUJIMDPK-QGZVFWFLSA-N 2 0 373.501 0.976 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073502 1260256824 /nfs/dbraw/zinc/25/68/24/1260256824.db2.gz TXOPRHVHFPFIIZ-KSZLIROESA-N 2 0 358.486 0.615 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC001336943573 1260262814 /nfs/dbraw/zinc/26/28/14/1260262814.db2.gz YCYKIWVTFXPBML-IRXDYDNUSA-N 2 0 355.527 0.158 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001336959083 1260267852 /nfs/dbraw/zinc/26/78/52/1260267852.db2.gz FEJADWZRJWWXAO-GJZGRUSLSA-N 2 0 354.495 0.290 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978861 1260273941 /nfs/dbraw/zinc/27/39/41/1260273941.db2.gz XKYAQZKRSBLUPQ-PMPSAXMXSA-N 2 0 359.536 0.861 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC001337026409 1260289004 /nfs/dbraw/zinc/28/90/04/1260289004.db2.gz NHNHBXIYBRIZII-YJBOKZPZSA-N 2 0 370.457 0.998 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063179 1260298957 /nfs/dbraw/zinc/29/89/57/1260298957.db2.gz YYQYHZLXDMWBLW-HZPDHXFCSA-N 2 0 351.495 0.324 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C2CCCC2)c1 ZINC001262309649 1260299216 /nfs/dbraw/zinc/29/92/16/1260299216.db2.gz HUVRJUJKIJLVGR-UHFFFAOYSA-N 2 0 364.494 0.889 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084050 1260305109 /nfs/dbraw/zinc/30/51/09/1260305109.db2.gz GPVRYQUPVXEAKL-MSOLQXFVSA-N 2 0 352.523 0.630 20 0 FCADRP CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@H]1OC ZINC001262579897 1260329391 /nfs/dbraw/zinc/32/93/91/1260329391.db2.gz CNXBUBODRIOZKK-CWQOZTLDSA-N 2 0 366.506 0.789 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756767 1260355949 /nfs/dbraw/zinc/35/59/49/1260355949.db2.gz YTCPPKOSYGUIMS-IMFGXOCKSA-N 2 0 358.486 0.128 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001337440067 1260402158 /nfs/dbraw/zinc/40/21/58/1260402158.db2.gz BKPAKTOSVOBEJD-QAQDUYKDSA-N 2 0 373.501 0.168 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC001337456392 1260406037 /nfs/dbraw/zinc/40/60/37/1260406037.db2.gz VHIBOMJKINISRW-OKILXGFUSA-N 2 0 354.520 0.318 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001273140511 1260607257 /nfs/dbraw/zinc/60/72/57/1260607257.db2.gz IWVYOMBHUDIKGY-CEXWTWQISA-N 2 0 364.534 0.867 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@H]3CN(CCn4ccnc4)C[C@@H](C2)O3)C1 ZINC001273254865 1260637175 /nfs/dbraw/zinc/63/71/75/1260637175.db2.gz NBUMKWJGUZSHKP-OKZBNKHCSA-N 2 0 361.490 0.527 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001273254895 1260637610 /nfs/dbraw/zinc/63/76/10/1260637610.db2.gz OCHIHLXPMFBSJJ-OKZBNKHCSA-N 2 0 361.490 0.527 20 0 FCADRP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001273254894 1260637704 /nfs/dbraw/zinc/63/77/04/1260637704.db2.gz OCHIHLXPMFBSJJ-KURKYZTESA-N 2 0 361.490 0.527 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001273272595 1260644908 /nfs/dbraw/zinc/64/49/08/1260644908.db2.gz KWAFRPLUYMBNBM-IRXDYDNUSA-N 2 0 364.534 0.977 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001273272593 1260645496 /nfs/dbraw/zinc/64/54/96/1260645496.db2.gz KWAFRPLUYMBNBM-DLBZAZTESA-N 2 0 364.534 0.977 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273273775 1260647521 /nfs/dbraw/zinc/64/75/21/1260647521.db2.gz ZJBFQIAQYHPMKD-MBOZVWFJSA-N 2 0 364.534 0.977 20 0 FCADRP CCOC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001278210818 1260687647 /nfs/dbraw/zinc/68/76/47/1260687647.db2.gz HIHOUWCQVDMUMH-IRXDYDNUSA-N 2 0 366.550 0.876 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001278790276 1260732356 /nfs/dbraw/zinc/73/23/56/1260732356.db2.gz GTFMEYMXCXMMFG-KDURUIRLSA-N 2 0 360.502 0.835 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC001332217725 1266360134 /nfs/dbraw/zinc/36/01/34/1266360134.db2.gz SXMJHWQTXZWHKM-DOTOQJQBSA-N 2 0 362.474 0.625 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@H]2C1 ZINC001279177317 1260799390 /nfs/dbraw/zinc/79/93/90/1260799390.db2.gz PHWZDEDUCVMHBE-HOTGVXAUSA-N 2 0 359.474 0.115 20 0 FCADRP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)c[nH]1 ZINC001279320974 1260837347 /nfs/dbraw/zinc/83/73/47/1260837347.db2.gz CRGCSCHYKGDBNP-HUUCEWRRSA-N 2 0 360.458 0.834 20 0 FCADRP O=C1CCC[C@]2(CN(CCn3ccnc3)CC[N@H+](C[C@@H]3CCCO3)C2)N1 ZINC001279467096 1260874764 /nfs/dbraw/zinc/87/47/64/1260874764.db2.gz HOVFDYSMXNUHGY-PKOBYXMFSA-N 2 0 361.490 0.719 20 0 FCADRP C[NH+](C)CCN1CCN(CC(C)(C)C[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279590713 1260896929 /nfs/dbraw/zinc/89/69/29/1260896929.db2.gz HYLXOEAIKJBXRL-FQEVSTJZSA-N 2 0 367.582 0.792 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332288391 1266371682 /nfs/dbraw/zinc/37/16/82/1266371682.db2.gz PRQZMYNKUQAVLN-UHFFFAOYSA-N 2 0 358.442 0.552 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279928227 1260967173 /nfs/dbraw/zinc/96/71/73/1260967173.db2.gz FYFXLLCYPHYIFR-CQSZACIVSA-N 2 0 361.446 0.229 20 0 FCADRP C[NH+]1CCC(N2C[C@@H]3COC[C@H](C2)N3C(=O)[C@H]2CC3CC[NH+]2CC3)CC1 ZINC001280070289 1260989639 /nfs/dbraw/zinc/98/96/39/1260989639.db2.gz QQLXTPVPJCPBTM-CEXWTWQISA-N 2 0 362.518 0.477 20 0 FCADRP O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1)NC1CC1 ZINC001280071782 1260990292 /nfs/dbraw/zinc/99/02/92/1260990292.db2.gz XZHIFDJZMUWECJ-KRWDZBQOSA-N 2 0 360.502 0.674 20 0 FCADRP CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280076204 1260992124 /nfs/dbraw/zinc/99/21/24/1260992124.db2.gz CDDSSOPDERTTPN-LSDHHAIUSA-N 2 0 364.490 0.889 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001280081906 1260994367 /nfs/dbraw/zinc/99/43/67/1260994367.db2.gz ZAYLDFCBRQTTGP-MBOZVWFJSA-N 2 0 362.518 0.777 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC001280093285 1260998978 /nfs/dbraw/zinc/99/89/78/1260998978.db2.gz KWCAHOVRASEGSG-IRXDYDNUSA-N 2 0 360.458 0.719 20 0 FCADRP CCOC(=O)CC[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280091554 1260999186 /nfs/dbraw/zinc/99/91/86/1260999186.db2.gz USOBUBVOEBBWMD-HNNXBMFYSA-N 2 0 363.462 0.658 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4c[nH+]cn4C)CC3)[C@@H]2C1 ZINC001280121185 1261008972 /nfs/dbraw/zinc/00/89/72/1261008972.db2.gz WHJRVHOTEWAEQM-HUUCEWRRSA-N 2 0 363.462 0.057 20 0 FCADRP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH+](C)CC4)C[C@H]23)C[C@@H](C)O1 ZINC001280125654 1261011268 /nfs/dbraw/zinc/01/12/68/1261011268.db2.gz MTEXEDSZVUXXPJ-TXCZRRACSA-N 2 0 364.490 0.651 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001332332418 1266379412 /nfs/dbraw/zinc/37/94/12/1266379412.db2.gz PLRQVAVGFJXYJO-UOVPBQLFSA-N 2 0 358.486 0.961 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280206503 1261033100 /nfs/dbraw/zinc/03/31/00/1261033100.db2.gz NMLNZRYXXWBOAM-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCC[NH2+][C@@]12CC[C@@](NC(=O)Cn3cccnc3=O)(C1)CCC2 ZINC001280218170 1261036958 /nfs/dbraw/zinc/03/69/58/1261036958.db2.gz GPEDXIFLFFEAFK-RBUKOAKNSA-N 2 0 361.490 0.746 20 0 FCADRP C[NH+](C)CCN1Cc2ccnn2CC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280219495 1261038180 /nfs/dbraw/zinc/03/81/80/1261038180.db2.gz TTXOQDHMWLLJRZ-SFHVURJKSA-N 2 0 362.522 0.572 20 0 FCADRP C[NH+](C)CCN1CCC([NH+]2CCC(C(=O)NCc3c[nH]cn3)CC2)CC1 ZINC001280221143 1261038507 /nfs/dbraw/zinc/03/85/07/1261038507.db2.gz MHPWHJHUTHHGIO-UHFFFAOYSA-N 2 0 362.522 0.764 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)CC1 ZINC001280251559 1261042380 /nfs/dbraw/zinc/04/23/80/1261042380.db2.gz XSFZBYHMJXGTIJ-MANSERQUSA-N 2 0 365.518 0.695 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001332340411 1266381346 /nfs/dbraw/zinc/38/13/46/1266381346.db2.gz WWXSQTPMWAFYIA-HUUCEWRRSA-N 2 0 361.490 0.927 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001281629941 1261128587 /nfs/dbraw/zinc/12/85/87/1261128587.db2.gz RERXCFPDOBYLAB-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)c2)CC1 ZINC001332363202 1266387611 /nfs/dbraw/zinc/38/76/11/1266387611.db2.gz CWEALUPXCZGBJO-LJQANCHMSA-N 2 0 372.513 0.819 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001281832601 1261218220 /nfs/dbraw/zinc/21/82/20/1261218220.db2.gz GSEDQENGKJSNLS-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC001332432342 1266402933 /nfs/dbraw/zinc/40/29/33/1266402933.db2.gz VDGRDTYCYKSXHE-KKUMJFAQSA-N 2 0 374.489 0.207 20 0 FCADRP COc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001473924675 1261504289 /nfs/dbraw/zinc/50/42/89/1261504289.db2.gz FXCBBLKLCLUQAD-UHFFFAOYSA-N 2 0 364.490 0.675 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC001345185859 1261647812 /nfs/dbraw/zinc/64/78/12/1261647812.db2.gz MWPKRULEHSXMSQ-UHFFFAOYSA-N 2 0 373.501 0.394 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001580311256 1278114664 /nfs/dbraw/zinc/11/46/64/1278114664.db2.gz MIYCBTUARKIMTO-GOSISDBHSA-N 2 0 358.486 0.748 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)C1 ZINC001289735951 1262327833 /nfs/dbraw/zinc/32/78/33/1262327833.db2.gz DWCZINZVRPVMIO-BBWFWOEESA-N 2 0 368.522 0.138 20 0 FCADRP Cc1nccn1CC(=O)N[C@@](C)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001297564613 1262879159 /nfs/dbraw/zinc/87/91/59/1262879159.db2.gz OLTRBZLISQOPTH-NRXGSXMXSA-N 2 0 361.490 0.933 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179172 1263175963 /nfs/dbraw/zinc/17/59/63/1263175963.db2.gz UWFVBYINQCBVQX-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479295600 1263183319 /nfs/dbraw/zinc/18/33/19/1263183319.db2.gz QCRDZZSLTZPIAC-DMRKSPOLSA-N 2 0 352.523 0.972 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001316597118 1263385274 /nfs/dbraw/zinc/38/52/74/1263385274.db2.gz VBESIDSMTTXLET-NVXWUHKLSA-N 2 0 361.490 0.475 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001320006447 1263753326 /nfs/dbraw/zinc/75/33/26/1263753326.db2.gz WOQMXFLFHGHCQO-XSLAGTTESA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3ccon3)CCCC2)CC[N@@H+]1C ZINC001495915935 1263844409 /nfs/dbraw/zinc/84/44/09/1263844409.db2.gz YYXFRCYRCAVBKY-ZIAGYGMSSA-N 2 0 363.462 0.972 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC001320952847 1263886703 /nfs/dbraw/zinc/88/67/03/1263886703.db2.gz OMAVHHLGBDPFNJ-UONOGXRCSA-N 2 0 362.478 0.687 20 0 FCADRP Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NCc1ccn2ccnc2c1 ZINC001321774521 1264058918 /nfs/dbraw/zinc/05/89/18/1264058918.db2.gz ZHZTVTYRDGWXSU-ZDUSSCGKSA-N 2 0 354.414 0.908 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC001322003505 1264128276 /nfs/dbraw/zinc/12/82/76/1264128276.db2.gz WWEDZLWSYRXMBL-SJORKVTESA-N 2 0 373.501 0.967 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001322236023 1264171104 /nfs/dbraw/zinc/17/11/04/1264171104.db2.gz UQRHKLXBMJKLQH-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001580400986 1278226995 /nfs/dbraw/zinc/22/69/95/1278226995.db2.gz XRLMPGXTNVEPMY-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C[C@H](C)O1 ZINC001322954388 1264300629 /nfs/dbraw/zinc/30/06/29/1264300629.db2.gz DDJIYNZFYQJJLV-YYIAUSFCSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001506958655 1264348844 /nfs/dbraw/zinc/34/88/44/1264348844.db2.gz WPICZWTVQWSHJD-KBAYOESNSA-N 2 0 363.506 0.507 20 0 FCADRP O=C(NCC[NH+]1CC=CC1)[C@H]1CC[C@H](C(=O)NCC[NH+]2CC=CC2)CC1 ZINC001323545416 1264452021 /nfs/dbraw/zinc/45/20/21/1264452021.db2.gz WLMOWTNYELWYJT-IYARVYRRSA-N 2 0 360.502 0.769 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC001323850389 1264528457 /nfs/dbraw/zinc/52/84/57/1264528457.db2.gz CHDCOGYMOPKLQU-BFYDXBDKSA-N 2 0 373.501 0.800 20 0 FCADRP Cc1cc(NC(=O)NCC(=O)N2CC[NH2+]CC2)ccc1N1CC[NH+](C)CC1 ZINC001325269428 1264829795 /nfs/dbraw/zinc/82/97/95/1264829795.db2.gz XWLPYLWKTATUAR-UHFFFAOYSA-N 2 0 374.489 0.300 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC001325405227 1264876782 /nfs/dbraw/zinc/87/67/82/1264876782.db2.gz ILZAPZKJCFQRMM-UHFFFAOYSA-N 2 0 373.501 0.048 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC001325412472 1264879418 /nfs/dbraw/zinc/87/94/18/1264879418.db2.gz BEESBPICVXZXDD-RDJZCZTQSA-N 2 0 373.501 0.250 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001580407216 1278245070 /nfs/dbraw/zinc/24/50/70/1278245070.db2.gz ISCKVMJRGQZGIO-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@@H]21 ZINC001326472048 1265118133 /nfs/dbraw/zinc/11/81/33/1265118133.db2.gz ICJFOHLQMDEHJW-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001326699838 1265153708 /nfs/dbraw/zinc/15/37/08/1265153708.db2.gz DPWWAYSCRBGPJE-ZWKOTPCHSA-N 2 0 360.502 0.919 20 0 FCADRP COC[C@@]1(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]C1 ZINC001326792440 1265167837 /nfs/dbraw/zinc/16/78/37/1265167837.db2.gz HTOMOTHKXYIFTB-HXUWFJFHSA-N 2 0 360.502 0.676 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717687 1265267076 /nfs/dbraw/zinc/26/70/76/1265267076.db2.gz SMIFHAQYSASICZ-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001327523419 1265349976 /nfs/dbraw/zinc/34/99/76/1265349976.db2.gz JQFOIZLDPWQGLK-KRWDZBQOSA-N 2 0 359.474 0.217 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001514949497 1265386296 /nfs/dbraw/zinc/38/62/96/1265386296.db2.gz LXACUZUXABGWIX-OVYGPGRDSA-N 2 0 350.507 0.679 20 0 FCADRP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCNC(=O)CC1 ZINC001332914226 1266505039 /nfs/dbraw/zinc/50/50/39/1266505039.db2.gz QPNLZLNNNKNKNP-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001332975514 1266514675 /nfs/dbraw/zinc/51/46/75/1266514675.db2.gz JDKWMKUYTMCWEQ-HRCADAONSA-N 2 0 357.462 0.416 20 0 FCADRP C[NH2+][C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC001522809829 1266584044 /nfs/dbraw/zinc/58/40/44/1266584044.db2.gz ISTATQSDTLJVIU-OAHLLOKOSA-N 2 0 353.488 0.100 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CCO1 ZINC001333396706 1266591133 /nfs/dbraw/zinc/59/11/33/1266591133.db2.gz CFPKIVXMVXBPIX-JLSDUUJJSA-N 2 0 372.469 0.096 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397693 1266591995 /nfs/dbraw/zinc/59/19/95/1266591995.db2.gz MMPMPISWAVRPMK-CVEARBPZSA-N 2 0 366.506 0.252 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001333437964 1266603217 /nfs/dbraw/zinc/60/32/17/1266603217.db2.gz HPDWSNYFHXRNEQ-FGTMMUONSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2cccc(CN3CC[NH+](C)CC3)c2)C1=O ZINC001333583465 1266638786 /nfs/dbraw/zinc/63/87/86/1266638786.db2.gz ROFZUWYFASUMHP-QGZVFWFLSA-N 2 0 359.474 0.416 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC001333636966 1266660546 /nfs/dbraw/zinc/66/05/46/1266660546.db2.gz ZUVUAHLZZKNFIZ-UHFFFAOYSA-N 2 0 369.473 0.992 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001525058216 1266737173 /nfs/dbraw/zinc/73/71/73/1266737173.db2.gz WGZOWZVPNFKBAK-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001526630434 1266824533 /nfs/dbraw/zinc/82/45/33/1266824533.db2.gz OBBTWUCRKXOUHU-ARFHVFGLSA-N 2 0 368.522 0.306 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC001529381722 1267058132 /nfs/dbraw/zinc/05/81/32/1267058132.db2.gz YHQCSOHTWOSMLB-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP CCCN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001529516956 1267063201 /nfs/dbraw/zinc/06/32/01/1267063201.db2.gz FPAJSJSBKNZPRA-OAGGEKHMSA-N 2 0 354.495 0.012 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001530784525 1267114123 /nfs/dbraw/zinc/11/41/23/1267114123.db2.gz RKWCASXPOKONRZ-BMFZPTHFSA-N 2 0 356.486 0.581 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001580446925 1278307783 /nfs/dbraw/zinc/30/77/83/1278307783.db2.gz NYAAMZQTZAGTBS-KBPBESRZSA-N 2 0 372.477 0.935 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001542527493 1267498480 /nfs/dbraw/zinc/49/84/80/1267498480.db2.gz WSXHRWGWROFJKP-UHFFFAOYSA-N 2 0 363.462 0.414 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCOCC1 ZINC001548474111 1267720817 /nfs/dbraw/zinc/72/08/17/1267720817.db2.gz SASKIXWXYITNGJ-XIRDDKMYSA-N 2 0 366.506 0.095 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC001549048605 1267796329 /nfs/dbraw/zinc/79/63/29/1267796329.db2.gz DDYXSGNDJCWROV-UKRRQHHQSA-N 2 0 369.462 0.246 20 0 FCADRP O=C(NCc1cn(C2CC[NH2+]CC2)nn1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001549209092 1267857629 /nfs/dbraw/zinc/85/76/29/1267857629.db2.gz GUTFUUHIYFGWMW-GOSISDBHSA-N 2 0 369.473 0.889 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)n1 ZINC001549213620 1267858248 /nfs/dbraw/zinc/85/82/48/1267858248.db2.gz CXANXFFFWQIQHD-LSDHHAIUSA-N 2 0 356.430 0.586 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001549215505 1267858815 /nfs/dbraw/zinc/85/88/15/1267858815.db2.gz RUNSYHGZJVVZRD-SQNIBIBYSA-N 2 0 373.501 0.629 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001549496461 1267927208 /nfs/dbraw/zinc/92/72/08/1267927208.db2.gz PYSYFOQMCQRBMC-QYZOEREBSA-N 2 0 365.518 0.791 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001549604781 1267969924 /nfs/dbraw/zinc/96/99/24/1267969924.db2.gz DPPNXSIPZGRMLJ-SJORKVTESA-N 2 0 363.510 0.054 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2c(s1)CC[NH2+]C2 ZINC001549742511 1267984554 /nfs/dbraw/zinc/98/45/54/1267984554.db2.gz VINIZLSVIILYAT-GUYCJALGSA-N 2 0 362.499 0.770 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCCc3cccc(C[NH3+])c32)nn1 ZINC001549754261 1267989076 /nfs/dbraw/zinc/98/90/76/1267989076.db2.gz LTPNPIAVEGAYRK-NVXWUHKLSA-N 2 0 370.457 0.418 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC001549999238 1268040760 /nfs/dbraw/zinc/04/07/60/1268040760.db2.gz CJYWKLKULRRXSI-GOSISDBHSA-N 2 0 364.534 0.870 20 0 FCADRP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001550064714 1268067276 /nfs/dbraw/zinc/06/72/76/1268067276.db2.gz ULFYADFQVLLXKB-JEWRLFTDSA-N 2 0 361.490 0.265 20 0 FCADRP Cc1c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001550090811 1268071442 /nfs/dbraw/zinc/07/14/42/1268071442.db2.gz UENDVKGMKOLUGA-HOTGVXAUSA-N 2 0 362.478 0.352 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cnn1C ZINC001550113667 1268075764 /nfs/dbraw/zinc/07/57/64/1268075764.db2.gz YPADRLJVTVQDRA-BHYGNILZSA-N 2 0 361.490 0.306 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001550186845 1268090040 /nfs/dbraw/zinc/09/00/40/1268090040.db2.gz ISRPCFABKJHSDJ-QZTJIDSGSA-N 2 0 351.454 0.977 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC001550271739 1268103130 /nfs/dbraw/zinc/10/31/30/1268103130.db2.gz JBQOGYKHXBSQOY-GOSISDBHSA-N 2 0 357.502 0.864 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001550286134 1268103533 /nfs/dbraw/zinc/10/35/33/1268103533.db2.gz OMRPBKSLEPWMPK-GVDBMIGSSA-N 2 0 366.506 0.683 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC001550409736 1268113201 /nfs/dbraw/zinc/11/32/01/1268113201.db2.gz FCSWFWHRNGRTLD-YWTNHNAXSA-N 2 0 353.507 0.933 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550539941 1268129730 /nfs/dbraw/zinc/12/97/30/1268129730.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 2 0 352.523 0.343 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]2[NH3+])c1 ZINC001550740419 1268159096 /nfs/dbraw/zinc/15/90/96/1268159096.db2.gz RABXOJGQFKVZPP-IRXDYDNUSA-N 2 0 360.506 0.978 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001550755191 1268162658 /nfs/dbraw/zinc/16/26/58/1268162658.db2.gz NRMGRZDLSBUSGN-XHSDSOJGSA-N 2 0 354.495 0.506 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550757276 1268162702 /nfs/dbraw/zinc/16/27/02/1268162702.db2.gz XIRHVXPVJNECJB-BRWVUGGUSA-N 2 0 366.506 0.683 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001550755190 1268163114 /nfs/dbraw/zinc/16/31/14/1268163114.db2.gz NRMGRZDLSBUSGN-OAGGEKHMSA-N 2 0 354.495 0.506 20 0 FCADRP Cc1ccc2nc(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)cc(=O)n2c1 ZINC001550911583 1268182889 /nfs/dbraw/zinc/18/28/89/1268182889.db2.gz DXIDOIOPPXVKKD-JXFKEZNVSA-N 2 0 369.469 0.739 20 0 FCADRP CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550910702 1268182919 /nfs/dbraw/zinc/18/29/19/1268182919.db2.gz AIFUMXBMCFHKLM-MAUKXSAKSA-N 2 0 364.515 0.943 20 0 FCADRP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550911679 1268184340 /nfs/dbraw/zinc/18/43/40/1268184340.db2.gz FJNROOHKJQCJBS-FXAWDEMLSA-N 2 0 358.486 0.848 20 0 FCADRP Cc1cccn2c(=O)cc(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)nc12 ZINC001550914738 1268184569 /nfs/dbraw/zinc/18/45/69/1268184569.db2.gz ZEUDBODLCIDIRK-QFBILLFUSA-N 2 0 369.469 0.739 20 0 FCADRP Cn1c(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc2ccccc2c1=O ZINC001550913700 1268184687 /nfs/dbraw/zinc/18/46/87/1268184687.db2.gz PEVRNYVACAYHPB-LPHOPBHVSA-N 2 0 369.469 0.670 20 0 FCADRP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001550980204 1268187499 /nfs/dbraw/zinc/18/74/99/1268187499.db2.gz KTHNLQLPYWVGTP-JFIYKMOQSA-N 2 0 368.522 0.990 20 0 FCADRP COCCN1CCN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001551277209 1268221324 /nfs/dbraw/zinc/22/13/24/1268221324.db2.gz BKLLAIOOQJZYEF-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP CN1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551284240 1268222339 /nfs/dbraw/zinc/22/23/39/1268222339.db2.gz MTPYDEZMPVMMQK-PQUAAJSLSA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465633 1268256536 /nfs/dbraw/zinc/25/65/36/1268256536.db2.gz YECOTPVZMMIGKM-SJORKVTESA-N 2 0 365.522 0.176 20 0 FCADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551494298 1268261267 /nfs/dbraw/zinc/26/12/67/1268261267.db2.gz GJFHOMYMFJOYPN-NPNMTCQASA-N 2 0 360.458 1.000 20 0 FCADRP CN1CCN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC001551498075 1268262196 /nfs/dbraw/zinc/26/21/96/1268262196.db2.gz POOIMIXMOHVKCF-UPTPFMHGSA-N 2 0 353.511 0.304 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001551536086 1268263931 /nfs/dbraw/zinc/26/39/31/1268263931.db2.gz PRYTXOBGCMMAPM-RRFJBIMHSA-N 2 0 371.407 0.746 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC001551553385 1268265066 /nfs/dbraw/zinc/26/50/66/1268265066.db2.gz GSUMQRVEFYDTFC-IIVZCXTMSA-N 2 0 365.522 0.792 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)[NH2+]C1 ZINC001551552376 1268265126 /nfs/dbraw/zinc/26/51/26/1268265126.db2.gz DOYSSHMZWOWTPJ-HLLBOEOZSA-N 2 0 365.522 0.711 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551556630 1268268910 /nfs/dbraw/zinc/26/89/10/1268268910.db2.gz AXTAHCKDDGSZDK-NVXWUHKLSA-N 2 0 351.495 0.369 20 0 FCADRP CC1(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001551579631 1268276784 /nfs/dbraw/zinc/27/67/84/1268276784.db2.gz ORKZVYQVKHCPPU-GOEBONIOSA-N 2 0 351.495 0.322 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001551583772 1268278574 /nfs/dbraw/zinc/27/85/74/1268278574.db2.gz WRLCKOQJKLMIDS-BFYDXBDKSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@]1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001551582133 1268278843 /nfs/dbraw/zinc/27/88/43/1268278843.db2.gz UAVJAQNYWPBEKF-HFTRVMKXSA-N 2 0 351.495 0.322 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551592766 1268281290 /nfs/dbraw/zinc/28/12/90/1268281290.db2.gz MTRLFOZGINLESX-UTXMOHQDSA-N 2 0 351.495 0.415 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551592763 1268281317 /nfs/dbraw/zinc/28/13/17/1268281317.db2.gz MTRLFOZGINLESX-DNNBLBMLSA-N 2 0 351.495 0.415 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596437 1268282338 /nfs/dbraw/zinc/28/23/38/1268282338.db2.gz TZJFTVGWSCDLFN-YXJHDRRASA-N 2 0 365.522 0.616 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597796 1268283498 /nfs/dbraw/zinc/28/34/98/1268283498.db2.gz XBWNETZNUAFWBW-RDJZCZTQSA-N 2 0 351.495 0.370 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001552013501 1268352019 /nfs/dbraw/zinc/35/20/19/1268352019.db2.gz SYKMQEDIJRSBJB-BRSBDYLESA-N 2 0 366.506 0.744 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)nn1 ZINC001552087011 1268366191 /nfs/dbraw/zinc/36/61/91/1268366191.db2.gz JLFNMZUHVYKTDX-YSVLISHTSA-N 2 0 364.494 0.169 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552099760 1268374066 /nfs/dbraw/zinc/37/40/66/1268374066.db2.gz SUMQYRLDYAXNGQ-KZNAEPCWSA-N 2 0 367.538 0.299 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nn1 ZINC001552169133 1268401148 /nfs/dbraw/zinc/40/11/48/1268401148.db2.gz WUPKENDVFRXEBV-BFYDXBDKSA-N 2 0 362.478 0.067 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nn1 ZINC001552179765 1268403992 /nfs/dbraw/zinc/40/39/92/1268403992.db2.gz PKTVATXRPSBNQB-BFYDXBDKSA-N 2 0 362.478 0.067 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001552185979 1268404757 /nfs/dbraw/zinc/40/47/57/1268404757.db2.gz MUCKEEDZXPWXCX-LMMKCTJWSA-N 2 0 365.522 0.163 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552200637 1268408068 /nfs/dbraw/zinc/40/80/68/1268408068.db2.gz SOQHUPXBBFZOSA-OXJNMPFZSA-N 2 0 372.469 0.558 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CCCC2)CC1 ZINC001552201262 1268408145 /nfs/dbraw/zinc/40/81/45/1268408145.db2.gz LXVZAPBEKGLZCX-DNVCBOLYSA-N 2 0 351.491 0.762 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552200644 1268408315 /nfs/dbraw/zinc/40/83/15/1268408315.db2.gz SOQHUPXBBFZOSA-UZLBHIALSA-N 2 0 372.469 0.558 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552215951 1268412461 /nfs/dbraw/zinc/41/24/61/1268412461.db2.gz IMVMDFXGQLJHMU-OWCLPIDISA-N 2 0 358.421 0.827 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552215942 1268412559 /nfs/dbraw/zinc/41/25/59/1268412559.db2.gz IMVMDFXGQLJHMU-ARFHVFGLSA-N 2 0 358.421 0.827 20 0 FCADRP Cn1ccnc1CN(C(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@@H]1CC12CC[NH2+]CC2 ZINC001552217518 1268413393 /nfs/dbraw/zinc/41/33/93/1268413393.db2.gz OSZPZHKIZCBORB-CLCXKQKWSA-N 2 0 359.474 0.127 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552250986 1268421395 /nfs/dbraw/zinc/42/13/95/1268421395.db2.gz FCXMHSYSEOOICO-NXHRZFHOSA-N 2 0 358.486 0.910 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cnn1C ZINC001552273676 1268429381 /nfs/dbraw/zinc/42/93/81/1268429381.db2.gz BAZQTSQUIMSXNT-DLBZAZTESA-N 3 0 369.473 0.475 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)C[C@@H](C)O1 ZINC001552283478 1268432243 /nfs/dbraw/zinc/43/22/43/1268432243.db2.gz STLBQZHIQPIIEJ-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C2(C[NH3+])CCCCC2)nn1 ZINC001552283799 1268432970 /nfs/dbraw/zinc/43/29/70/1268432970.db2.gz UPAGEFNENHSGAH-ZFWWWQNUSA-N 2 0 350.467 0.100 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001340104979 1268436516 /nfs/dbraw/zinc/43/65/16/1268436516.db2.gz LYVFKQZODVYHCH-HNNXBMFYSA-N 2 0 352.479 0.844 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001340119132 1268440995 /nfs/dbraw/zinc/44/09/95/1268440995.db2.gz NKVYZTVCIIYCEE-KKUMJFAQSA-N 2 0 356.536 0.564 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001340122012 1268443370 /nfs/dbraw/zinc/44/33/70/1268443370.db2.gz QLBDBFQDKDWRNA-QZTJIDSGSA-N 2 0 358.486 0.787 20 0 FCADRP Cc1c(C(=O)N2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552429580 1268460847 /nfs/dbraw/zinc/46/08/47/1268460847.db2.gz IAOZHFDDVCUGNV-GVDBMIGSSA-N 2 0 354.458 0.935 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1c1cccc(F)c1 ZINC001552430986 1268461020 /nfs/dbraw/zinc/46/10/20/1268461020.db2.gz OGDYYSIUYFUIHD-CVEARBPZSA-N 2 0 358.421 0.909 20 0 FCADRP Cc1c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435978 1268463334 /nfs/dbraw/zinc/46/33/34/1268463334.db2.gz XXIWIPWAWCCRTA-OAHLLOKOSA-N 2 0 362.478 0.496 20 0 FCADRP Cc1c(C(=O)Nc2ccccc2C(=O)NCC[NH3+])nnn1[C@H]1CC[NH2+]C1 ZINC001552437990 1268464523 /nfs/dbraw/zinc/46/45/23/1268464523.db2.gz VEMWKYIAQBWQCJ-LBPRGKRZSA-N 2 0 357.418 0.062 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001552439074 1268464603 /nfs/dbraw/zinc/46/46/03/1268464603.db2.gz ZGOFTPYKZFRFNH-ZMSDIMECSA-N 2 0 362.478 0.561 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340321787 1268510572 /nfs/dbraw/zinc/51/05/72/1268510572.db2.gz CMLOYWNZOFILIQ-VQIMIIECSA-N 2 0 369.506 0.757 20 0 FCADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001552686367 1268522208 /nfs/dbraw/zinc/52/22/08/1268522208.db2.gz SRPTVJPSFOATFS-HNNXBMFYSA-N 2 0 374.489 0.161 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C[C@H]1C[NH+](C)C ZINC001552699576 1268523491 /nfs/dbraw/zinc/52/34/91/1268523491.db2.gz PFZWXBKIXOHFNC-IYBDPMFKSA-N 3 0 362.522 0.688 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C[C@H]1C[NH+](C)C ZINC001552699574 1268523961 /nfs/dbraw/zinc/52/39/61/1268523961.db2.gz PFZWXBKIXOHFNC-HZPDHXFCSA-N 3 0 362.522 0.688 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)CC1 ZINC001552771865 1268543704 /nfs/dbraw/zinc/54/37/04/1268543704.db2.gz VDIJNHIJYSLZQA-RDJZCZTQSA-N 2 0 358.490 0.751 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552800247 1268549927 /nfs/dbraw/zinc/54/99/27/1268549927.db2.gz XSYCXHVAKMDPDN-ZACQAIPSSA-N 2 0 363.510 0.895 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC001552847450 1268559516 /nfs/dbraw/zinc/55/95/16/1268559516.db2.gz UUGIBCRUIYYTKZ-OLZOCXBDSA-N 2 0 363.487 0.303 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(CN3CC[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924525 1268566499 /nfs/dbraw/zinc/56/64/99/1268566499.db2.gz CBHHVNBVBJYRLP-OALUTQOASA-N 2 0 364.534 0.931 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC001552966031 1268570523 /nfs/dbraw/zinc/57/05/23/1268570523.db2.gz PHLHHDJQTSOYMM-SFHVURJKSA-N 2 0 350.507 0.336 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3CN(C)CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC001552995355 1268575061 /nfs/dbraw/zinc/57/50/61/1268575061.db2.gz RUTFRQNUACVAPF-CALCHBBNSA-N 2 0 366.550 0.828 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](CN4CCOCC4)O3)C2)C1 ZINC001553143510 1268597558 /nfs/dbraw/zinc/59/75/58/1268597558.db2.gz DAHDKKVJTVATRX-LNLFQRSKSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(c1cnc([C@H]2CCC[NH2+]2)nc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355708 1268635977 /nfs/dbraw/zinc/63/59/77/1268635977.db2.gz VBXLWQNNOGVZKB-GDBMZVCRSA-N 2 0 372.473 0.185 20 0 FCADRP Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359301 1268637746 /nfs/dbraw/zinc/63/77/46/1268637746.db2.gz LWRIZGIWGLQGBH-MGPUTAFESA-N 2 0 369.469 0.964 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553386892 1268642009 /nfs/dbraw/zinc/64/20/09/1268642009.db2.gz WLIYGQUSJOCVHH-RHSMWYFYSA-N 2 0 351.472 0.248 20 0 FCADRP CCCNC(=O)c1cccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553392074 1268643206 /nfs/dbraw/zinc/64/32/06/1268643206.db2.gz JTSIEXUWUJCEJV-PXNSSMCTSA-N 2 0 358.486 0.984 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412037 1268647063 /nfs/dbraw/zinc/64/70/63/1268647063.db2.gz SPEJJJODYPGHTM-PMPSAXMXSA-N 2 0 366.506 0.249 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507176 1268661561 /nfs/dbraw/zinc/66/15/61/1268661561.db2.gz JWZQVTDHUSLBPU-HZPDHXFCSA-N 2 0 352.479 0.389 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553525239 1268663908 /nfs/dbraw/zinc/66/39/08/1268663908.db2.gz GXGHPHQTUMCWEW-HUUCEWRRSA-N 2 0 351.495 0.357 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@]23CC[C@@H]2CC[NH2+]3)CC1 ZINC001553541183 1268666252 /nfs/dbraw/zinc/66/62/52/1268666252.db2.gz KAKPDKFTKHIUQL-CRAIPNDOSA-N 2 0 363.506 0.644 20 0 FCADRP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553544792 1268667065 /nfs/dbraw/zinc/66/70/65/1268667065.db2.gz CHBAANKYSXHGJY-FCGDIQPGSA-N 3 0 361.534 0.985 20 0 FCADRP O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553544795 1268667170 /nfs/dbraw/zinc/66/71/70/1268667170.db2.gz CHBAANKYSXHGJY-HCXYKTFWSA-N 3 0 361.534 0.985 20 0 FCADRP C[C@@H](Cc1nccn1C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553551385 1268668315 /nfs/dbraw/zinc/66/83/15/1268668315.db2.gz DBIXOXVFIYPYFB-BHYGNILZSA-N 2 0 360.506 0.961 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3[nH]cnc3C23CC[NH2+]CC3)c1 ZINC001340866503 1268686225 /nfs/dbraw/zinc/68/62/25/1268686225.db2.gz HFWWZYQSTZHCQY-MRXNPFEDSA-N 2 0 369.469 0.952 20 0 FCADRP Cn1cc(C2=NO[C@@H](C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)C2)cn1 ZINC001340896221 1268697983 /nfs/dbraw/zinc/69/79/83/1268697983.db2.gz MSSIHPILKCUPNC-OAHLLOKOSA-N 2 0 355.402 0.356 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC001341118083 1268792381 /nfs/dbraw/zinc/79/23/81/1268792381.db2.gz DOPFCWSPGNDNMM-BVIKNXMNSA-N 2 0 373.501 0.925 20 0 FCADRP C[C@@H]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001341184834 1268844183 /nfs/dbraw/zinc/84/41/83/1268844183.db2.gz QPRRCIVZUGFKRK-IAGOWNOFSA-N 2 0 373.501 0.967 20 0 FCADRP COCCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001341342238 1268945364 /nfs/dbraw/zinc/94/53/64/1268945364.db2.gz SEWUOBAZESFUIA-CQSZACIVSA-N 2 0 366.466 0.188 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001341717955 1269166938 /nfs/dbraw/zinc/16/69/38/1269166938.db2.gz WICYHRJYHMWXEA-LJQANCHMSA-N 2 0 353.507 0.890 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341731993 1269175107 /nfs/dbraw/zinc/17/51/07/1269175107.db2.gz HSSBMFPUCCLNOO-OAQYLSRUSA-N 2 0 374.529 0.945 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001341731980 1269175787 /nfs/dbraw/zinc/17/57/87/1269175787.db2.gz GWEGRAJIGNKQGA-KLHDSHLOSA-N 2 0 359.474 0.630 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001565865850 1269498680 /nfs/dbraw/zinc/49/86/80/1269498680.db2.gz QCRDZZSLTZPIAC-WRQOLXDDSA-N 2 0 352.523 0.972 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001342566878 1269518218 /nfs/dbraw/zinc/51/82/18/1269518218.db2.gz BRNKUSZSEVXPIS-HNNXBMFYSA-N 2 0 361.490 0.752 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC1 ZINC001566048412 1269580575 /nfs/dbraw/zinc/58/05/75/1269580575.db2.gz MWEGGYLBJVJVNQ-MSOLQXFVSA-N 2 0 362.518 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC ZINC001343101147 1269770147 /nfs/dbraw/zinc/77/01/47/1269770147.db2.gz FOQXZLWAQRKQAE-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1)[NH+](C)C ZINC001343108889 1269777140 /nfs/dbraw/zinc/77/71/40/1269777140.db2.gz JJENTKPXTCKOBT-BZUAXINKSA-N 2 0 370.538 0.647 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001343409171 1269901031 /nfs/dbraw/zinc/90/10/31/1269901031.db2.gz MHCBRAMWDYEXIL-SFHVURJKSA-N 2 0 373.501 0.269 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001343742602 1269998056 /nfs/dbraw/zinc/99/80/56/1269998056.db2.gz XGDWGDXZCAXIPD-PMPSAXMXSA-N 2 0 368.522 0.279 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)c3[nH]nc4c3C[NH2+]CC4)cc2)CC1 ZINC001343958121 1270061198 /nfs/dbraw/zinc/06/11/98/1270061198.db2.gz WAXQMRJDIOIBKY-UHFFFAOYSA-N 2 0 368.485 0.780 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001580612386 1278568193 /nfs/dbraw/zinc/56/81/93/1278568193.db2.gz YRZQUDNCFARZRG-NUJGCVRESA-N 2 0 352.479 0.138 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC001573066494 1270588010 /nfs/dbraw/zinc/58/80/10/1270588010.db2.gz PRZIGOVMPGMKDA-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573981987 1270974077 /nfs/dbraw/zinc/97/40/77/1270974077.db2.gz KPTROSARXTWELJ-ZENOOKHLSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574020551 1270999821 /nfs/dbraw/zinc/99/98/21/1270999821.db2.gz DAOOUHGDACNCDE-OAHLLOKOSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001574251454 1271120427 /nfs/dbraw/zinc/12/04/27/1271120427.db2.gz DMWPGDISJIAXJU-OAHLLOKOSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574253556 1271123574 /nfs/dbraw/zinc/12/35/74/1271123574.db2.gz WDCQFOWFMRAAGA-CYBMUJFWSA-N 2 0 358.450 0.427 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574287927 1271162921 /nfs/dbraw/zinc/16/29/21/1271162921.db2.gz AVFCMQFTGMIKDN-OAHLLOKOSA-N 2 0 358.450 0.687 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574578581 1271376570 /nfs/dbraw/zinc/37/65/70/1271376570.db2.gz DSWWDYMUTIQGHT-IUODEOHRSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574593908 1271394115 /nfs/dbraw/zinc/39/41/15/1271394115.db2.gz WOPPIPGNDWQWPZ-GFCCVEGCSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574606407 1271413330 /nfs/dbraw/zinc/41/33/30/1271413330.db2.gz HQETUSCUTJNGOU-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574672667 1271477539 /nfs/dbraw/zinc/47/75/39/1271477539.db2.gz YBOCNQSYPIZCMM-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853546 1271603374 /nfs/dbraw/zinc/60/33/74/1271603374.db2.gz BOXNIQWGXYMTKB-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574854515 1271606284 /nfs/dbraw/zinc/60/62/84/1271606284.db2.gz OFOUSBRUBGIVCF-LBPRGKRZSA-N 2 0 356.434 0.298 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873964 1271625085 /nfs/dbraw/zinc/62/50/85/1271625085.db2.gz PDNSSZOWLTVCCL-CZUORRHYSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876233 1271633744 /nfs/dbraw/zinc/63/37/44/1271633744.db2.gz KXZPVXQRKARXAD-BXUZGUMPSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884910 1271641460 /nfs/dbraw/zinc/64/14/60/1271641460.db2.gz IHMCLASKYNRFNT-IUODEOHRSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896671 1271659031 /nfs/dbraw/zinc/65/90/31/1271659031.db2.gz GGRVIWKBMQIMQY-KBPBESRZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908565 1271673983 /nfs/dbraw/zinc/67/39/83/1271673983.db2.gz JHASYENFHTZDTR-STQMWFEESA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575383278 1272026812 /nfs/dbraw/zinc/02/68/12/1272026812.db2.gz DZKTXJSWGLGRGD-NEPJUHHUSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575383687 1272026907 /nfs/dbraw/zinc/02/69/07/1272026907.db2.gz FTXVGEWFRBUZCN-UONOGXRCSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001575407020 1272057808 /nfs/dbraw/zinc/05/78/08/1272057808.db2.gz CQCMFNUPZRPMEI-UHFFFAOYSA-N 2 0 364.494 0.775 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2cnn[nH]2)CC1 ZINC001575421290 1272084230 /nfs/dbraw/zinc/08/42/30/1272084230.db2.gz SMJCWOILZIRVQQ-OAHLLOKOSA-N 2 0 350.467 0.121 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001575430303 1272097530 /nfs/dbraw/zinc/09/75/30/1272097530.db2.gz CWDZGHGAZVJXNP-BBRMVZONSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001575439800 1272110126 /nfs/dbraw/zinc/11/01/26/1272110126.db2.gz QGOKOHLHGPVDTP-ZIAGYGMSSA-N 2 0 370.461 0.428 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001575445530 1272117625 /nfs/dbraw/zinc/11/76/25/1272117625.db2.gz UIWXBSDEHVGMDP-MRXNPFEDSA-N 2 0 350.467 0.578 20 0 FCADRP C[C@H]([NH2+]CCc1cn[nH]n1)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688686 1272300005 /nfs/dbraw/zinc/30/00/05/1272300005.db2.gz BSPZSOVJZUWFDI-GJZGRUSLSA-N 2 0 374.493 0.246 20 0 FCADRP C[C@H]([NH2+]CCc1cn[nH]n1)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689957 1272301526 /nfs/dbraw/zinc/30/15/26/1272301526.db2.gz JLTHOIPGWWSGOV-YOEHRIQHSA-N 2 0 364.494 0.285 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695978 1272313469 /nfs/dbraw/zinc/31/34/69/1272313469.db2.gz KQLVFXBKMNEDNL-YOEHRIQHSA-N 2 0 364.494 0.775 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001575701682 1272321271 /nfs/dbraw/zinc/32/12/71/1272321271.db2.gz FQOCJGWGFXCTKR-PBHICJAKSA-N 2 0 364.494 0.631 20 0 FCADRP C[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001575797305 1272446788 /nfs/dbraw/zinc/44/67/88/1272446788.db2.gz MGZYEWWUEUDHDV-GOSISDBHSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC12C[NH2+]C2 ZINC001580682952 1278706527 /nfs/dbraw/zinc/70/65/27/1278706527.db2.gz DDHZCVZGCKLELY-UHFFFAOYSA-N 2 0 359.478 0.136 20 0 FCADRP C[C@H](Cn1c(CC2CC2)nnc1N1CC[NH2+][C@H](C)C1)C[NH+]1CCOCC1 ZINC001576007930 1272697900 /nfs/dbraw/zinc/69/79/00/1272697900.db2.gz JSKAJUQMFZETQG-JKSUJKDBSA-N 2 0 362.522 0.997 20 0 FCADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC[NH+](C)C ZINC001576018932 1272718813 /nfs/dbraw/zinc/71/88/13/1272718813.db2.gz KKPRANXILJRASU-NWDGAFQWSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC001576245199 1273024433 /nfs/dbraw/zinc/02/44/33/1273024433.db2.gz OIMKVQKWDNTZFG-WCQYABFASA-N 2 0 357.442 0.625 20 0 FCADRP CC[C@H](C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483957 1273326699 /nfs/dbraw/zinc/32/66/99/1273326699.db2.gz DKKWQMBFTBJGNO-IUODEOHRSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576492414 1273348710 /nfs/dbraw/zinc/34/87/10/1273348710.db2.gz NJTZMSXQZKSSOH-LYRGGWFBSA-N 2 0 372.477 0.591 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576498441 1273358717 /nfs/dbraw/zinc/35/87/17/1273358717.db2.gz AMNRUPMMULEONU-UKRRQHHQSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576499007 1273360647 /nfs/dbraw/zinc/36/06/47/1273360647.db2.gz GNMVZTUCZPOZRF-OAHLLOKOSA-N 2 0 372.477 0.722 20 0 FCADRP CC[C@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500081 1273364292 /nfs/dbraw/zinc/36/42/92/1273364292.db2.gz OZYPITHPWQVMQF-MRXNPFEDSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576505734 1273375592 /nfs/dbraw/zinc/37/55/92/1273375592.db2.gz LCYZOBYVUISEOC-ZENOOKHLSA-N 2 0 372.477 0.721 20 0 FCADRP CC1=CCN(c2nnc(C3CC[NH2+]CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001576563171 1273445102 /nfs/dbraw/zinc/44/51/02/1273445102.db2.gz UTWBEXMGBZTXRC-IBGZPJMESA-N 2 0 360.506 0.968 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001576709928 1273579188 /nfs/dbraw/zinc/57/91/88/1273579188.db2.gz WQBVJOAGWMLDKI-HUUCEWRRSA-N 2 0 363.510 0.686 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn[nH]2)cn1 ZINC001576749408 1273621032 /nfs/dbraw/zinc/62/10/32/1273621032.db2.gz DFYLMPQMRHUSHW-MRXNPFEDSA-N 2 0 360.466 0.347 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCc3cn[nH]n3)CC2)cn1 ZINC001576749523 1273621158 /nfs/dbraw/zinc/62/11/58/1273621158.db2.gz HJLBRBZNZXNNES-INIZCTEOSA-N 2 0 374.493 0.390 20 0 FCADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576786922 1273675846 /nfs/dbraw/zinc/67/58/46/1273675846.db2.gz UOMDEQHOUXEQFD-ZDUSSCGKSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576817602 1273737493 /nfs/dbraw/zinc/73/74/93/1273737493.db2.gz SLGCGWVTEFZXQR-CQSZACIVSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576817636 1273738318 /nfs/dbraw/zinc/73/83/18/1273738318.db2.gz TTZPKJHMDXCADG-CQSZACIVSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCCC2)CC[NH2+]1 ZINC001576828376 1273753281 /nfs/dbraw/zinc/75/32/81/1273753281.db2.gz YXDXOFVLKKLYOH-OAHLLOKOSA-N 2 0 358.494 0.963 20 0 FCADRP C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001576844696 1273787874 /nfs/dbraw/zinc/78/78/74/1273787874.db2.gz NNAAIJUBDUONQR-SOUVJXGZSA-N 2 0 352.483 0.491 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847529 1273793563 /nfs/dbraw/zinc/79/35/63/1273793563.db2.gz GEUSXKJMWYBIJN-MELADBBJSA-N 2 0 372.477 0.721 20 0 FCADRP COCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001577007519 1274046628 /nfs/dbraw/zinc/04/66/28/1274046628.db2.gz ISLMTASMEXNZIJ-UHFFFAOYSA-N 2 0 362.478 0.340 20 0 FCADRP COCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001577007467 1274046658 /nfs/dbraw/zinc/04/66/58/1274046658.db2.gz HIHMFURQWFXXQD-MRXNPFEDSA-N 2 0 350.467 0.338 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001577230283 1274265655 /nfs/dbraw/zinc/26/56/55/1274265655.db2.gz FMEFKZZCBNGZDY-QGZVFWFLSA-N 2 0 354.495 0.651 20 0 FCADRP CCCN(C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC[N@H+](C)C1 ZINC001577488609 1274445760 /nfs/dbraw/zinc/44/57/60/1274445760.db2.gz CBZJHBLHTXDDOD-GJZGRUSLSA-N 2 0 352.479 0.797 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577547826 1274486949 /nfs/dbraw/zinc/48/69/49/1274486949.db2.gz UXMODEBLEMBKTR-CYBMUJFWSA-N 2 0 360.466 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577551762 1274491677 /nfs/dbraw/zinc/49/16/77/1274491677.db2.gz UUNSNWAYJPPIBW-UHFFFAOYSA-N 2 0 360.466 0.807 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550752 1274492022 /nfs/dbraw/zinc/49/20/22/1274492022.db2.gz NBEKFKNFVKZOFU-GOSISDBHSA-N 2 0 372.477 0.676 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555438 1274496411 /nfs/dbraw/zinc/49/64/11/1274496411.db2.gz ZMFKQQLVQXINEX-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577554205 1274496610 /nfs/dbraw/zinc/49/66/10/1274496610.db2.gz QOBUYDJNBLVKGL-JSGCOSHPSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577554489 1274496857 /nfs/dbraw/zinc/49/68/57/1274496857.db2.gz SJYCTMQULRZRSS-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577559045 1274504157 /nfs/dbraw/zinc/50/41/57/1274504157.db2.gz QLYNODVXBZLERD-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577559099 1274504338 /nfs/dbraw/zinc/50/43/38/1274504338.db2.gz RQCYIPJGQKLWEJ-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577559221 1274504637 /nfs/dbraw/zinc/50/46/37/1274504637.db2.gz UJCPFRRHYKRRNQ-OAHLLOKOSA-N 2 0 374.493 0.968 20 0 FCADRP CCC[N@H+](C)CC(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577560601 1274508425 /nfs/dbraw/zinc/50/84/25/1274508425.db2.gz GOXDDEFNDMYCOC-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577563400 1274516375 /nfs/dbraw/zinc/51/63/75/1274516375.db2.gz QLRWJSYHDOXNIP-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577574221 1274540743 /nfs/dbraw/zinc/54/07/43/1274540743.db2.gz RQNWWAWMRHRELE-ZDUSSCGKSA-N 2 0 360.466 0.935 20 0 FCADRP CCCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577595257 1274561919 /nfs/dbraw/zinc/56/19/19/1274561919.db2.gz WFRUSEOQJGDCBN-HNNXBMFYSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665008 1274680575 /nfs/dbraw/zinc/68/05/75/1274680575.db2.gz LBYREARZQIUKGH-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577666256 1274685086 /nfs/dbraw/zinc/68/50/86/1274685086.db2.gz YCNGBNOKMRWOPB-AWEZNQCLSA-N 2 0 372.477 0.936 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577670048 1274695781 /nfs/dbraw/zinc/69/57/81/1274695781.db2.gz SJVILOCXQVVJSI-INIZCTEOSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672945 1274704917 /nfs/dbraw/zinc/70/49/17/1274704917.db2.gz DJMPQGDWDCWPSO-IUODEOHRSA-N 2 0 358.450 0.475 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673909 1274707078 /nfs/dbraw/zinc/70/70/78/1274707078.db2.gz ZXVDOKPVFCTJJO-XJKSGUPXSA-N 2 0 372.477 0.783 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CC[NH3+])CC1 ZINC001577685358 1274739328 /nfs/dbraw/zinc/73/93/28/1274739328.db2.gz WXOKPBGDUJDATK-UHFFFAOYSA-N 2 0 351.499 0.351 20 0 FCADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577759514 1274841406 /nfs/dbraw/zinc/84/14/06/1274841406.db2.gz GZBAQKLTONMWRY-HZSPNIEDSA-N 2 0 351.499 0.682 20 0 FCADRP CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577799226 1274902246 /nfs/dbraw/zinc/90/22/46/1274902246.db2.gz YSJVPLSIYVCZRT-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577852218 1274998162 /nfs/dbraw/zinc/99/81/62/1274998162.db2.gz MHVPWXAETWGNSR-UKRRQHHQSA-N 2 0 372.477 0.735 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577856305 1275013189 /nfs/dbraw/zinc/01/31/89/1275013189.db2.gz WSDKXNKRFHOMHV-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866363 1275042064 /nfs/dbraw/zinc/04/20/64/1275042064.db2.gz FWHHIXBJZXYZED-CQSZACIVSA-N 2 0 372.477 0.936 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577869446 1275052761 /nfs/dbraw/zinc/05/27/61/1275052761.db2.gz CUHWSGTYLQOJHM-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869821 1275056016 /nfs/dbraw/zinc/05/60/16/1275056016.db2.gz YHLCZNBUCGHWBG-OKILXGFUSA-N 2 0 372.477 0.641 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577879862 1275077324 /nfs/dbraw/zinc/07/73/24/1275077324.db2.gz OZJSJRRMEXCUFS-INIZCTEOSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577885669 1275088826 /nfs/dbraw/zinc/08/88/26/1275088826.db2.gz JNXLSOGSDMKKFJ-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577885496 1275089094 /nfs/dbraw/zinc/08/90/94/1275089094.db2.gz FEBONTZRVMBQNB-JSGCOSHPSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577899204 1275109555 /nfs/dbraw/zinc/10/95/55/1275109555.db2.gz VLHNNUWZMBAXSX-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP CCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577952067 1275173210 /nfs/dbraw/zinc/17/32/10/1275173210.db2.gz HJKCWHXYXCFKIG-OAHLLOKOSA-N 2 0 370.461 0.546 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950139 1275173486 /nfs/dbraw/zinc/17/34/86/1275173486.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cn[nH]n1)C2)C12CCC[NH+]1CCC2 ZINC001577981565 1275212716 /nfs/dbraw/zinc/21/27/16/1275212716.db2.gz VQQRDEFBBZOZIL-XIRDDKMYSA-N 2 0 358.490 0.945 20 0 FCADRP CCOCc1nnc(N(C)C2CC[NH2+]CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578127389 1275426046 /nfs/dbraw/zinc/42/60/46/1275426046.db2.gz VHQHMHJDQBMWDT-QGZVFWFLSA-N 2 0 352.483 0.069 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001578134642 1275433348 /nfs/dbraw/zinc/43/33/48/1275433348.db2.gz ZJSFBNMNTTXYFA-HNNXBMFYSA-N 2 0 360.466 0.530 20 0 FCADRP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001578134946 1275433688 /nfs/dbraw/zinc/43/36/88/1275433688.db2.gz HJWLOZWAWCJTFO-OAHLLOKOSA-N 2 0 365.526 0.378 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001578136907 1275436019 /nfs/dbraw/zinc/43/60/19/1275436019.db2.gz ZALINNHXQZJBEI-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219909 1275515879 /nfs/dbraw/zinc/51/58/79/1275515879.db2.gz SMJNNFXZTAOFBU-CJNGLKHVSA-N 2 0 372.477 0.865 20 0 FCADRP CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC1([NH3+])COC1 ZINC001578312520 1275650848 /nfs/dbraw/zinc/65/08/48/1275650848.db2.gz XIQHMUWOIYYQCJ-UHFFFAOYSA-N 2 0 364.494 0.117 20 0 FCADRP CCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001578324398 1275669304 /nfs/dbraw/zinc/66/93/04/1275669304.db2.gz OOHPPTJHRJIMQO-AWEZNQCLSA-N 2 0 365.482 0.152 20 0 FCADRP CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001578327557 1275672572 /nfs/dbraw/zinc/67/25/72/1275672572.db2.gz YSKWOFGCOVXGTL-OAHLLOKOSA-N 2 0 366.510 0.240 20 0 FCADRP CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001578327553 1275673254 /nfs/dbraw/zinc/67/32/54/1275673254.db2.gz YSKWOFGCOVXGTL-HNNXBMFYSA-N 2 0 366.510 0.240 20 0 FCADRP C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCC([NH3+])CC1 ZINC001578419623 1275787197 /nfs/dbraw/zinc/78/71/97/1275787197.db2.gz WPIKEDXVMWJKTM-AWEZNQCLSA-N 2 0 352.483 0.288 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001578418262 1275787942 /nfs/dbraw/zinc/78/79/42/1275787942.db2.gz BWIDVDFRTIHJDC-INIZCTEOSA-N 2 0 359.474 0.333 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC001578418943 1275787965 /nfs/dbraw/zinc/78/79/65/1275787965.db2.gz QXLMJWWOEBEAKA-CQSZACIVSA-N 2 0 356.492 0.838 20 0 FCADRP C[NH+](C)CCSc1nc(CC(=O)NC[C@H]2C[NH2+]CCCO2)cs1 ZINC001578418804 1275787994 /nfs/dbraw/zinc/78/79/94/1275787994.db2.gz GHHRBIQYNPCYND-CYBMUJFWSA-N 2 0 358.533 0.834 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446585 1275835137 /nfs/dbraw/zinc/83/51/37/1275835137.db2.gz AYMCLRZCVLZNGC-HEHGZKQESA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447987 1275846474 /nfs/dbraw/zinc/84/64/74/1275846474.db2.gz YSIAGWOKZUEDDB-HEHGZKQESA-N 2 0 372.477 0.578 20 0 FCADRP CC[C@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)C)[NH+](C)C ZINC001578471139 1275882054 /nfs/dbraw/zinc/88/20/54/1275882054.db2.gz AXWRMZCEBKYUKX-XJKSGUPXSA-N 2 0 374.493 0.967 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001578472117 1275884391 /nfs/dbraw/zinc/88/43/91/1275884391.db2.gz IBBYKEOMDWYJCT-BZUAXINKSA-N 2 0 357.462 0.944 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)c1cn(CC[NH3+])nn1)Cc1ccccc12 ZINC001578525814 1275957434 /nfs/dbraw/zinc/95/74/34/1275957434.db2.gz QYAHXCZKPYGUSV-UHFFFAOYSA-N 2 0 354.458 0.856 20 0 FCADRP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCSC1 ZINC001578525746 1275958494 /nfs/dbraw/zinc/95/84/94/1275958494.db2.gz OUGQGSHCIVYKSM-UMPJEAMMSA-N 2 0 366.535 0.491 20 0 FCADRP CN(C[C@@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578525969 1275959575 /nfs/dbraw/zinc/95/95/75/1275959575.db2.gz VQRCRWYKGQJOMZ-OIPACUDHSA-N 2 0 364.494 0.022 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001578525930 1275960021 /nfs/dbraw/zinc/96/00/21/1275960021.db2.gz UIFYZADFNHBSTQ-APWZRJJASA-N 2 0 374.464 0.612 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525903 1275960318 /nfs/dbraw/zinc/96/03/18/1275960318.db2.gz TWPKSAUGXIUNDW-YJBOKZPZSA-N 2 0 364.494 0.038 20 0 FCADRP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001578576009 1276008641 /nfs/dbraw/zinc/00/86/41/1276008641.db2.gz MTUJHUCTWOTAMQ-FMKPAKJESA-N 2 0 358.494 0.959 20 0 FCADRP C[NH2+][C@@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578577692 1276011118 /nfs/dbraw/zinc/01/11/18/1276011118.db2.gz YVVSYMAZIHAILA-AWEZNQCLSA-N 2 0 356.478 0.875 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578611651 1276046733 /nfs/dbraw/zinc/04/67/33/1276046733.db2.gz SREBDIJNZNCAEP-KUHUBIRLSA-N 2 0 374.464 0.949 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001578654514 1276106022 /nfs/dbraw/zinc/10/60/22/1276106022.db2.gz RKDLVUFJHQUWCB-DLBZAZTESA-N 2 0 353.511 0.034 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC12C[NH2+]C2 ZINC001578795770 1276283632 /nfs/dbraw/zinc/28/36/32/1276283632.db2.gz RWFHAKGAGWGDFB-KGLIPLIRSA-N 2 0 354.495 0.757 20 0 FCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893827 1276428862 /nfs/dbraw/zinc/42/88/62/1276428862.db2.gz QGXZGTYKGKCPHQ-IAGOWNOFSA-N 2 0 369.473 0.994 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578972924 1276517831 /nfs/dbraw/zinc/51/78/31/1276517831.db2.gz FKHGOELWQKAPIH-GFCCVEGCSA-N 2 0 363.491 0.913 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578973308 1276519650 /nfs/dbraw/zinc/51/96/50/1276519650.db2.gz LJYHEVLNIZCJSD-OAHLLOKOSA-N 2 0 358.450 0.284 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578973804 1276520826 /nfs/dbraw/zinc/52/08/26/1276520826.db2.gz BWAVXVNSCCIJTL-HNNXBMFYSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578974580 1276522121 /nfs/dbraw/zinc/52/21/21/1276522121.db2.gz PLZFYRILOSRQOX-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578974350 1276523113 /nfs/dbraw/zinc/52/31/13/1276523113.db2.gz LGTFQMMUFRDIDO-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578974848 1276524478 /nfs/dbraw/zinc/52/44/78/1276524478.db2.gz VFVTWNGJKYBOMB-AWEZNQCLSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578974805 1276524616 /nfs/dbraw/zinc/52/46/16/1276524616.db2.gz UBZVIIDIZHDZCC-QGZVFWFLSA-N 2 0 358.450 0.286 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979213 1276539071 /nfs/dbraw/zinc/53/90/71/1276539071.db2.gz XRBYLNOTIUKZGB-DZGCQCFKSA-N 2 0 372.477 0.722 20 0 FCADRP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCC[NH+](C)C ZINC001578982296 1276545849 /nfs/dbraw/zinc/54/58/49/1276545849.db2.gz KQTIHTUDEOLRMV-UHFFFAOYSA-N 2 0 360.466 0.888 20 0 FCADRP C[NH+](C)CCCC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578984966 1276551756 /nfs/dbraw/zinc/55/17/56/1276551756.db2.gz AUVXDXRPURSXAK-UHFFFAOYSA-N 2 0 358.450 0.689 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578985183 1276552093 /nfs/dbraw/zinc/55/20/93/1276552093.db2.gz DFYCZABPPBBFGK-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCCC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578986139 1276554680 /nfs/dbraw/zinc/55/46/80/1276554680.db2.gz ZQGJFEVCNORRRD-UHFFFAOYSA-N 2 0 372.477 0.865 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578987897 1276560294 /nfs/dbraw/zinc/56/02/94/1276560294.db2.gz VTZPXGMBOOVZMN-HZPDHXFCSA-N 2 0 372.477 0.865 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578988511 1276562201 /nfs/dbraw/zinc/56/22/01/1276562201.db2.gz YZBHPVBVQGPIEY-HDJSIYSDSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2csc(-c3nn[nH]n3)c2)C[C@H]1C[NH+](C)C ZINC001578991598 1276565794 /nfs/dbraw/zinc/56/57/94/1276565794.db2.gz BSKIPWBNWDIFEN-CHWSQXEVSA-N 2 0 363.491 0.740 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCOCC1 ZINC001579014120 1276587569 /nfs/dbraw/zinc/58/75/69/1276587569.db2.gz JBDCKGUTZQTEGY-HNNXBMFYSA-N 2 0 352.483 0.508 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579014320 1276587654 /nfs/dbraw/zinc/58/76/54/1276587654.db2.gz LOQKVORILUOMSX-DAYGRLMNSA-N 2 0 364.494 0.635 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC(F)(F)C1 ZINC001579020626 1276598878 /nfs/dbraw/zinc/59/88/78/1276598878.db2.gz GUUBTXJXWYLFLW-BETUJISGSA-N 2 0 358.437 0.906 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC001579032967 1276619195 /nfs/dbraw/zinc/61/91/95/1276619195.db2.gz NZSBJMHFQPBEPL-FUHWJXTLSA-N 2 0 357.495 0.339 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3[NH2+]2)C[C@H]1C ZINC001579038283 1276622966 /nfs/dbraw/zinc/62/29/66/1276622966.db2.gz FKYNUIVKJFBYBD-SIXLDLHFSA-N 2 0 364.494 0.120 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3[NH2+]2)C[C@@H]1C ZINC001579038282 1276623218 /nfs/dbraw/zinc/62/32/18/1276623218.db2.gz FKYNUIVKJFBYBD-PQEBFOHHSA-N 2 0 364.494 0.120 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001579151063 1276885856 /nfs/dbraw/zinc/88/58/56/1276885856.db2.gz OOCPZTPYHRJVLQ-OAHLLOKOSA-N 2 0 370.461 0.498 20 0 FCADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579166688 1276918573 /nfs/dbraw/zinc/91/85/73/1276918573.db2.gz IEECPHOKIUKHIL-UHFFFAOYSA-N 2 0 373.436 0.650 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160580 1287267622 /nfs/dbraw/zinc/26/76/22/1287267622.db2.gz PVZXKKNMCPRWEY-KJWHEZOQSA-N 2 0 360.462 0.381 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322754 1277138372 /nfs/dbraw/zinc/13/83/72/1277138372.db2.gz GOVZELKWXKUOKD-XJKSGUPXSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327001 1277151572 /nfs/dbraw/zinc/15/15/72/1277151572.db2.gz NWHUBEQEGKDTIC-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579327039 1277153346 /nfs/dbraw/zinc/15/33/46/1277153346.db2.gz OOEYAOOAJANEKJ-CABCVRRESA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327745 1277154142 /nfs/dbraw/zinc/15/41/42/1277154142.db2.gz XAZKLGMPKVEPRA-QWHCGFSZSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579332007 1277162140 /nfs/dbraw/zinc/16/21/40/1277162140.db2.gz HQUSZWXEVGYMAP-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)C1 ZINC001579331885 1277162806 /nfs/dbraw/zinc/16/28/06/1277162806.db2.gz IIAISSVLUMRNNY-INIZCTEOSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579333155 1277165934 /nfs/dbraw/zinc/16/59/34/1277165934.db2.gz OJCUQGUCTIQWJR-HNNXBMFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334158 1277170591 /nfs/dbraw/zinc/17/05/91/1277170591.db2.gz DGQLFFBNSXKCCD-AWEZNQCLSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334435 1277170620 /nfs/dbraw/zinc/17/06/20/1277170620.db2.gz FCIMPIQZVAAFDV-BAABZTOOSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335057 1277173269 /nfs/dbraw/zinc/17/32/69/1277173269.db2.gz MTURHJRGKHSZGR-HUUCEWRRSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334881 1277173321 /nfs/dbraw/zinc/17/33/21/1277173321.db2.gz ITRDDQZETXOMBE-UONOGXRCSA-N 2 0 370.461 0.546 20 0 FCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579340256 1277185903 /nfs/dbraw/zinc/18/59/03/1277185903.db2.gz SFAZYVIFFVATNO-CQSZACIVSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341390 1277189105 /nfs/dbraw/zinc/18/91/05/1277189105.db2.gz KARPDAZHJHECLY-GDBMZVCRSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341875 1277190749 /nfs/dbraw/zinc/19/07/49/1277190749.db2.gz XJMKGMGENBDKJG-KGLIPLIRSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001579343672 1277193185 /nfs/dbraw/zinc/19/31/85/1277193185.db2.gz BCLDXWZZUPNYQI-CYBMUJFWSA-N 2 0 370.461 0.476 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344736 1277194742 /nfs/dbraw/zinc/19/47/42/1277194742.db2.gz RFNQRFIXWWPWGJ-STQMWFEESA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579346970 1277199393 /nfs/dbraw/zinc/19/93/93/1277199393.db2.gz VLIJUXCHGOEVSQ-HNNXBMFYSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353635 1277213782 /nfs/dbraw/zinc/21/37/82/1277213782.db2.gz QOFMJNZFHVQMPA-GOEBONIOSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353910 1277216945 /nfs/dbraw/zinc/21/69/45/1277216945.db2.gz WNGMPCBLNKKMBJ-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355248 1277220667 /nfs/dbraw/zinc/22/06/67/1277220667.db2.gz DMTDWZDUTZFMRO-GDBMZVCRSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358685 1277226904 /nfs/dbraw/zinc/22/69/04/1277226904.db2.gz IEMWVHRBFZWAAX-DLBZAZTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359768 1277233317 /nfs/dbraw/zinc/23/33/17/1277233317.db2.gz CQXSQAXIGGOKSB-DVOMOZLQSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359922 1277233440 /nfs/dbraw/zinc/23/34/40/1277233440.db2.gz FPCAXHAGICCLJV-XIRDDKMYSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361663 1277238670 /nfs/dbraw/zinc/23/86/70/1277238670.db2.gz PNKHLTOODXSULP-XHSDSOJGSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362565 1277240966 /nfs/dbraw/zinc/24/09/66/1277240966.db2.gz SOTKTAVRVXGZDF-IJEWVQPXSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363134 1277241025 /nfs/dbraw/zinc/24/10/25/1277241025.db2.gz WEJFFNGFEXQNMM-IJEWVQPXSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363195 1277242279 /nfs/dbraw/zinc/24/22/79/1277242279.db2.gz XMVDKEKUWUOUMB-DZKIICNBSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372017 1277253057 /nfs/dbraw/zinc/25/30/57/1277253057.db2.gz QZZYJAMIDOLKKQ-CRAIPNDOSA-N 2 0 370.461 0.428 20 0 FCADRP CSCCCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001579374464 1277256164 /nfs/dbraw/zinc/25/61/64/1277256164.db2.gz PIPHCZRZRPVCRZ-YOEHRIQHSA-N 2 0 368.551 0.959 20 0 FCADRP Cc1cccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[NH3+])n1 ZINC001579749308 1277858369 /nfs/dbraw/zinc/85/83/69/1277858369.db2.gz QRLAUSBFXMAVNS-UHFFFAOYSA-N 2 0 371.489 0.908 20 0 FCADRP Cc1nnc(N2CC[NH2+][C@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001579910968 1277958698 /nfs/dbraw/zinc/95/86/98/1277958698.db2.gz YGPIQSUJJVSNSA-GDBMZVCRSA-N 2 0 363.510 0.327 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580027567 1277994192 /nfs/dbraw/zinc/99/41/92/1277994192.db2.gz DSBOFLZOXPVDNM-JSGCOSHPSA-N 2 0 373.461 0.421 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580027528 1277994481 /nfs/dbraw/zinc/99/44/81/1277994481.db2.gz CUXJLDSCIBZDHA-LBPRGKRZSA-N 2 0 361.450 0.421 20 0 FCADRP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC001580088863 1278004074 /nfs/dbraw/zinc/00/40/74/1278004074.db2.gz AZNKZPMYAUINLW-UHFFFAOYSA-N 2 0 359.474 0.403 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580098109 1278007095 /nfs/dbraw/zinc/00/70/95/1278007095.db2.gz IEYGKAKSELNJAX-PMPSAXMXSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)c1nccs1 ZINC001714391836 1287321150 /nfs/dbraw/zinc/32/11/50/1287321150.db2.gz WWQVXGFYSIKWCN-MGPQQGTHSA-N 2 0 367.519 0.788 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580279117 1278076579 /nfs/dbraw/zinc/07/65/79/1278076579.db2.gz MIONRKRXMLACTQ-SUMWQHHRSA-N 2 0 369.473 0.803 20 0 FCADRP O=C1[C@H]2C[N@@H+](C[C@@]3(O)CCC[NH2+]CC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001580858182 1279053813 /nfs/dbraw/zinc/05/38/13/1279053813.db2.gz DOYBNIBOZVTMNP-FUHIMQAGSA-N 2 0 357.454 0.608 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001603200511 1287327819 /nfs/dbraw/zinc/32/78/19/1287327819.db2.gz DCVPIFGBPSQRTQ-DOMZBBRYSA-N 2 0 360.466 0.789 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940043 1279148482 /nfs/dbraw/zinc/14/84/82/1279148482.db2.gz JWLQQPBGIDUSNT-CYBMUJFWSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942673 1279150806 /nfs/dbraw/zinc/15/08/06/1279150806.db2.gz YREDWMCVHMKDKF-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP Cc1cc(N(C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943162 1279151560 /nfs/dbraw/zinc/15/15/60/1279151560.db2.gz ZCCJSFUEMJJNRJ-AWEZNQCLSA-N 2 0 370.461 0.703 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580944831 1279152536 /nfs/dbraw/zinc/15/25/36/1279152536.db2.gz VCJXHLSLRCGXNP-ZDUSSCGKSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955490 1279159003 /nfs/dbraw/zinc/15/90/03/1279159003.db2.gz TVNUBTLFBZLMOX-CQSZACIVSA-N 2 0 372.477 0.947 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956601 1279159846 /nfs/dbraw/zinc/15/98/46/1279159846.db2.gz LJALKVSXLOWEMM-CQSZACIVSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956706 1279160964 /nfs/dbraw/zinc/16/09/64/1279160964.db2.gz MOVOOUAOCGZNMS-KBPBESRZSA-N 2 0 370.461 0.464 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962490 1279167363 /nfs/dbraw/zinc/16/73/63/1279167363.db2.gz WBWODQBODMSVGE-STQMWFEESA-N 2 0 356.434 0.217 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962487 1279167536 /nfs/dbraw/zinc/16/75/36/1279167536.db2.gz WBWODQBODMSVGE-CHWSQXEVSA-N 2 0 356.434 0.217 20 0 FCADRP Cc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580966766 1279168401 /nfs/dbraw/zinc/16/84/01/1279168401.db2.gz MOFYKJWYVAYNEE-AWEZNQCLSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987836 1279187135 /nfs/dbraw/zinc/18/71/35/1279187135.db2.gz FMNUUAVYUSKNDU-CHWSQXEVSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990420 1279192222 /nfs/dbraw/zinc/19/22/22/1279192222.db2.gz QJKPIYIAUIZSQK-OLZOCXBDSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993043 1279197756 /nfs/dbraw/zinc/19/77/56/1279197756.db2.gz FGXBTDPQCQYQNG-HOTGVXAUSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994875 1279203282 /nfs/dbraw/zinc/20/32/82/1279203282.db2.gz RZFYOMLDQKUZLI-GXTWGEPZSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994877 1279203700 /nfs/dbraw/zinc/20/37/00/1279203700.db2.gz RZFYOMLDQKUZLI-OCCSQVGLSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003895 1279220925 /nfs/dbraw/zinc/22/09/25/1279220925.db2.gz GWCBKGKYLIJSKL-AWEZNQCLSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009559 1279234012 /nfs/dbraw/zinc/23/40/12/1279234012.db2.gz YDMVYMABUCMZQH-XHDPSFHLSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010410 1279236273 /nfs/dbraw/zinc/23/62/73/1279236273.db2.gz MJILLUXBBKSEJP-WBMJQRKESA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011965 1279237952 /nfs/dbraw/zinc/23/79/52/1279237952.db2.gz PYLCYERDIQSPNL-XJKSGUPXSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013174 1279239435 /nfs/dbraw/zinc/23/94/35/1279239435.db2.gz JZUQEYZTUJLJFU-DOMZBBRYSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013754 1279240393 /nfs/dbraw/zinc/24/03/93/1279240393.db2.gz VQDJITKMXJJCNK-CYBMUJFWSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015965 1279243695 /nfs/dbraw/zinc/24/36/95/1279243695.db2.gz FLUYYQTWFWNUPS-OAHLLOKOSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024407 1279256316 /nfs/dbraw/zinc/25/63/16/1279256316.db2.gz HQWRCHPPMRDVKF-WCQYABFASA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025161 1279257780 /nfs/dbraw/zinc/25/77/80/1279257780.db2.gz QASRCQNHMBZDQE-ABAIWWIYSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C23CCC[NH+]2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027257 1279260671 /nfs/dbraw/zinc/26/06/71/1279260671.db2.gz OBVXETKLASQWHP-UHFFFAOYSA-N 2 0 370.461 0.491 20 0 FCADRP Cc1cc(N[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036061 1279271858 /nfs/dbraw/zinc/27/18/58/1279271858.db2.gz ONMYBNROWUCBAZ-HDJSIYSDSA-N 2 0 372.477 0.783 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603481067 1287385941 /nfs/dbraw/zinc/38/59/41/1287385941.db2.gz KUJYTFIBLYGKDK-CZUORRHYSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603608164 1287438052 /nfs/dbraw/zinc/43/80/52/1287438052.db2.gz MEGSGGCZUFDOCS-CHWSQXEVSA-N 2 0 372.477 0.863 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582097486 1281052063 /nfs/dbraw/zinc/05/20/63/1281052063.db2.gz IGRPXAHBVCHXBY-HNNXBMFYSA-N 2 0 369.473 0.901 20 0 FCADRP O=C(N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001582216902 1281197368 /nfs/dbraw/zinc/19/73/68/1281197368.db2.gz MJRXUUFHALODFH-LBPRGKRZSA-N 2 0 373.486 0.715 20 0 FCADRP O=C(N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C12CC[NH+](CC1)C2 ZINC001582224625 1281205802 /nfs/dbraw/zinc/20/58/02/1281205802.db2.gz MMDHBCLBBILMJC-HNNXBMFYSA-N 2 0 368.445 0.086 20 0 FCADRP O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001582613234 1281809420 /nfs/dbraw/zinc/80/94/20/1281809420.db2.gz GMVFOVOPIUGPOT-JOCQHMNTSA-N 2 0 368.445 0.371 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001718764193 1287562045 /nfs/dbraw/zinc/56/20/45/1287562045.db2.gz FYONQMCSNKVDGP-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001604304307 1287600537 /nfs/dbraw/zinc/60/05/37/1287600537.db2.gz DYUKXRJZKQJQES-AWEZNQCLSA-N 2 0 358.450 0.607 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589708074 1282951899 /nfs/dbraw/zinc/95/18/99/1282951899.db2.gz FINNEZAEWHODBY-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001589813030 1283040377 /nfs/dbraw/zinc/04/03/77/1283040377.db2.gz DSWWDYMUTIQGHT-DOMZBBRYSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001590270800 1283394687 /nfs/dbraw/zinc/39/46/87/1283394687.db2.gz NGVZRIJNDWQKAF-LBPRGKRZSA-N 2 0 361.425 0.553 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001719069186 1287652215 /nfs/dbraw/zinc/65/22/15/1287652215.db2.gz FUFKQOJYKGHCGR-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)C1 ZINC001682657677 1283741432 /nfs/dbraw/zinc/74/14/32/1283741432.db2.gz DWCZINZVRPVMIO-GVDBMIGSSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001683526580 1284017958 /nfs/dbraw/zinc/01/79/58/1284017958.db2.gz FFRVWZXTRPQTGG-VYDXJSESSA-N 2 0 370.538 0.238 20 0 FCADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591012929 1284074011 /nfs/dbraw/zinc/07/40/11/1284074011.db2.gz FKDKFVCKFKLBQA-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071137 1284130815 /nfs/dbraw/zinc/13/08/15/1284130815.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 2 0 357.462 0.757 20 0 FCADRP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001591102744 1284173518 /nfs/dbraw/zinc/17/35/18/1284173518.db2.gz XQTUOKMKGDCINT-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173351 1284259659 /nfs/dbraw/zinc/25/96/59/1284259659.db2.gz SHPVENWTUBDCRZ-WFASDCNBSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175090 1284262274 /nfs/dbraw/zinc/26/22/74/1284262274.db2.gz GOOIBNLHWDDMRA-RXYHWBRQSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175744 1284264839 /nfs/dbraw/zinc/26/48/39/1284264839.db2.gz UKIPCWLZWOVYEN-KZSQQDEKSA-N 2 0 355.446 0.580 20 0 FCADRP C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001591175914 1284267838 /nfs/dbraw/zinc/26/78/38/1284267838.db2.gz ZIVOIGMFAZXURN-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591176959 1284273491 /nfs/dbraw/zinc/27/34/91/1284273491.db2.gz OIVCOCGIJJVZNO-OAHLLOKOSA-N 2 0 360.462 0.928 20 0 FCADRP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591181869 1284283989 /nfs/dbraw/zinc/28/39/89/1284283989.db2.gz MDLYCGAIDGQRBX-CQSZACIVSA-N 2 0 358.446 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187348 1284299423 /nfs/dbraw/zinc/29/94/23/1284299423.db2.gz QJWBOJLVCLNTIU-WOMSROEHSA-N 2 0 355.446 0.723 20 0 FCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1-c1nn[nH]n1 ZINC001591217458 1284355568 /nfs/dbraw/zinc/35/55/68/1284355568.db2.gz FLYDMCMHSGIRBS-GFCCVEGCSA-N 2 0 361.454 0.553 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCC[NH3+] ZINC001604687127 1287733189 /nfs/dbraw/zinc/73/31/89/1287733189.db2.gz XIOXWPLODHUQGS-UHFFFAOYSA-N 2 0 360.466 0.679 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)n2)CC1 ZINC001604687982 1287733383 /nfs/dbraw/zinc/73/33/83/1287733383.db2.gz MYJVLLOZKRQFGZ-UHFFFAOYSA-N 2 0 358.450 0.152 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001591774340 1284895821 /nfs/dbraw/zinc/89/58/21/1284895821.db2.gz AICHRIJEZVSXHZ-NVFZZLLCSA-N 2 0 370.461 0.498 20 0 FCADRP Cc1cc(NCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592045421 1285086203 /nfs/dbraw/zinc/08/62/03/1285086203.db2.gz DFLBZIYUCWYENC-MLGOLLRUSA-N 2 0 372.477 0.783 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001604754921 1287763293 /nfs/dbraw/zinc/76/32/93/1287763293.db2.gz ZZTOWFJDJZHTAJ-OAHLLOKOSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001702419205 1285661240 /nfs/dbraw/zinc/66/12/40/1285661240.db2.gz DMTYQFAHZAXNBG-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592748215 1285669736 /nfs/dbraw/zinc/66/97/36/1285669736.db2.gz KSCFYRRBPVILEC-ZACQAIPSSA-N 2 0 358.446 0.728 20 0 FCADRP O=C(CCC[NH+]1CCCC1)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592837172 1285747981 /nfs/dbraw/zinc/74/79/81/1285747981.db2.gz BIDVULYAGSXMRG-OWOJBTEDSA-N 2 0 370.461 0.644 20 0 FCADRP O=C(NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001593047164 1285938259 /nfs/dbraw/zinc/93/82/59/1285938259.db2.gz BPMIBFBKQKESQU-ARJAWSKDSA-N 2 0 367.457 0.725 20 0 FCADRP O=C(NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C12CC[NH+](CC1)C2 ZINC001593055042 1285947726 /nfs/dbraw/zinc/94/77/26/1285947726.db2.gz WIEMAWRKOFNXKK-UPHRSURJSA-N 2 0 367.457 0.725 20 0 FCADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504090 1286183546 /nfs/dbraw/zinc/18/35/46/1286183546.db2.gz FUUZMAWTJIIISA-QLFBSQMISA-N 2 0 358.446 0.823 20 0 FCADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504878 1286185209 /nfs/dbraw/zinc/18/52/09/1286185209.db2.gz HBYZEZZFBNENAU-BBRMVZONSA-N 2 0 358.446 0.680 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001707221944 1287065444 /nfs/dbraw/zinc/06/54/44/1287065444.db2.gz UKEBZOISRXTEIP-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687707 1288052076 /nfs/dbraw/zinc/05/20/76/1288052076.db2.gz XCRZFXANSRZLGS-UKRRQHHQSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721089 1288061778 /nfs/dbraw/zinc/06/17/78/1288061778.db2.gz QWFGQYOWKBPFRF-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001731454268 1288557582 /nfs/dbraw/zinc/55/75/82/1288557582.db2.gz UJGXLRNPRKHCFB-MKXGPGLRSA-N 2 0 370.497 0.847 20 0 FCADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NCC ZINC001731865179 1288569140 /nfs/dbraw/zinc/56/91/40/1288569140.db2.gz WFHDMIBFVPAXKN-QLFBSQMISA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC4CC4)C3)C2)CC[N@@H+]1C ZINC001733295135 1288607725 /nfs/dbraw/zinc/60/77/25/1288607725.db2.gz KVUBRVIYZRRWMG-WRWLIDTKSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001735755821 1288860222 /nfs/dbraw/zinc/86/02/22/1288860222.db2.gz TTXLECFTNKECJG-IAGOWNOFSA-N 2 0 368.522 0.282 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001735883012 1288987536 /nfs/dbraw/zinc/98/75/36/1288987536.db2.gz KIFZHITVQIJHNF-WCXIOVBPSA-N 2 0 370.538 0.501 20 0 FCADRP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001609613491 1289263936 /nfs/dbraw/zinc/26/39/36/1289263936.db2.gz JWOXXEPUIJLSDD-SFHVURJKSA-N 2 0 371.489 0.799 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001691897716 1289335786 /nfs/dbraw/zinc/33/57/86/1289335786.db2.gz XRKRJZYQTCQSNT-QLFBSQMISA-N 2 0 370.457 0.890 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C2)nc1=O ZINC001691916663 1289341149 /nfs/dbraw/zinc/34/11/49/1289341149.db2.gz AQQAUXPSAHHIEC-UONOGXRCSA-N 2 0 366.510 0.461 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001691983567 1289357599 /nfs/dbraw/zinc/35/75/99/1289357599.db2.gz CYYJJIJJWPWHCH-LSDHHAIUSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001692083006 1289388716 /nfs/dbraw/zinc/38/87/16/1289388716.db2.gz LJTFBPCDGBQWCM-SJORKVTESA-N 2 0 365.522 0.524 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001692084214 1289391037 /nfs/dbraw/zinc/39/10/37/1289391037.db2.gz YFSFWJIEJVJESF-IKGGRYGDSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCOCCOC ZINC001692182204 1289419539 /nfs/dbraw/zinc/41/95/39/1289419539.db2.gz AGLWKWGURXTOGS-FGTMMUONSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H](C[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699363363 1289551318 /nfs/dbraw/zinc/55/13/18/1289551318.db2.gz PVSRBOGFTDARPB-IJLUTSLNSA-N 2 0 352.401 0.490 20 0 FCADRP Cc1csc(NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001699403515 1289552318 /nfs/dbraw/zinc/55/23/18/1289552318.db2.gz AMWKWMBBIRXKCS-CYZMBNFOSA-N 2 0 353.492 0.825 20 0 FCADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699403679 1289552993 /nfs/dbraw/zinc/55/29/93/1289552993.db2.gz ICQVCIURGSHEIE-YNEHKIRRSA-N 2 0 355.483 0.045 20 0 FCADRP CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001614036300 1289733899 /nfs/dbraw/zinc/73/38/99/1289733899.db2.gz IAVQPIXSDYYCBP-CVEARBPZSA-N 2 0 350.511 0.949 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)CC1 ZINC001702145975 1289751734 /nfs/dbraw/zinc/75/17/34/1289751734.db2.gz FNMKEBGSBGJYGC-DOTOQJQBSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001702313050 1290015530 /nfs/dbraw/zinc/01/55/30/1290015530.db2.gz KFIWZHWJMJCZGI-HZPDHXFCSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001702362231 1290131616 /nfs/dbraw/zinc/13/16/16/1290131616.db2.gz JYSBBGUOPJHWKH-PMPSAXMXSA-N 2 0 368.522 0.279 20 0 FCADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001754952121 1290638415 /nfs/dbraw/zinc/63/84/15/1290638415.db2.gz RQNBZQBAODJOMG-KJWHEZOQSA-N 2 0 367.494 0.175 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001757140512 1290723505 /nfs/dbraw/zinc/72/35/05/1290723505.db2.gz SDDCJQJVWGHGRJ-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001653481984 1291347049 /nfs/dbraw/zinc/34/70/49/1291347049.db2.gz BUMJWSOLABFZBN-VQIMIIECSA-N 2 0 363.502 0.688 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843485 1291568320 /nfs/dbraw/zinc/56/83/20/1291568320.db2.gz UBAUBDBCQZXSMJ-ZACQAIPSSA-N 2 0 352.523 0.975 20 0 FCADRP COC(=O)CN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001658831186 1291630854 /nfs/dbraw/zinc/63/08/54/1291630854.db2.gz UKPQAODGAOIYIO-LJQANCHMSA-N 2 0 361.486 0.980 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@H]2CCNC(=O)CC2)C2CC2)CC[N@@H+]1C ZINC001663722453 1291763885 /nfs/dbraw/zinc/76/38/85/1291763885.db2.gz KTPDKEQGHDQESL-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)N(C)C ZINC001666621232 1291915547 /nfs/dbraw/zinc/91/55/47/1291915547.db2.gz XCRSYNSCFHRTRW-NXHRZFHOSA-N 2 0 360.502 0.762 20 0 FCADRP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC001686784056 1292957159 /nfs/dbraw/zinc/95/71/59/1292957159.db2.gz FXUKNUXWUASOIM-KRWDZBQOSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001688903258 1294549061 /nfs/dbraw/zinc/54/90/61/1294549061.db2.gz AWZAGMBHUZEIDH-WCXIOVBPSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CCC1 ZINC001688984842 1294559168 /nfs/dbraw/zinc/55/91/68/1294559168.db2.gz JNNJOAOATRUYGF-JKSUJKDBSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1)C1CC1 ZINC001689015705 1294567631 /nfs/dbraw/zinc/56/76/31/1294567631.db2.gz VIKUYOXCHWVJOI-VPWXQRGCSA-N 2 0 362.518 0.873 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]C[C@H]2CCCCO2)cn1 ZINC001689034281 1294581065 /nfs/dbraw/zinc/58/10/65/1294581065.db2.gz QWVYVDNZZJZLQH-FGTMMUONSA-N 2 0 363.506 0.825 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001689064902 1294588327 /nfs/dbraw/zinc/58/83/27/1294588327.db2.gz CLFAKMGOCCYWCS-BRWVUGGUSA-N 2 0 368.522 0.401 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](OCC)C1 ZINC001689065440 1294588576 /nfs/dbraw/zinc/58/85/76/1294588576.db2.gz LRINNWRUYAZILX-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001689101731 1294620303 /nfs/dbraw/zinc/62/03/03/1294620303.db2.gz PAKLAXPFPBYRIG-FMKPAKJESA-N 2 0 364.494 0.149 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001689186354 1294655196 /nfs/dbraw/zinc/65/51/96/1294655196.db2.gz HOSRINCDMKLMFS-HZSPNIEDSA-N 2 0 355.483 0.141 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001689231279 1294688787 /nfs/dbraw/zinc/68/87/87/1294688787.db2.gz CXGWPBSIOGSBPW-BBWFWOEESA-N 2 0 350.507 0.635 20 0 FCADRP COc1coc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151630 1294860428 /nfs/dbraw/zinc/86/04/28/1294860428.db2.gz PLYRLCPMSYYRNM-WQVCFCJDSA-N 2 0 363.458 0.973 20 0 FCADRP 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 ZINC001690276712 1294863476 /nfs/dbraw/zinc/86/34/76/1294863476.db2.gz NFMVNKQGGGMZAO-KJWHEZOQSA-N 2 0 367.494 0.186 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001690405106 1294866755 /nfs/dbraw/zinc/86/67/55/1294866755.db2.gz BZLQOJCMZRPPTL-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001690469787 1294867134 /nfs/dbraw/zinc/86/71/34/1294867134.db2.gz BSEATOLLYCMNDU-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001690576598 1294872643 /nfs/dbraw/zinc/87/26/43/1294872643.db2.gz DWMIXFDJRGSVBI-UXIGCNINSA-N 2 0 364.494 0.410 20 0 FCADRP C[NH+]1CCN(c2cccc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n2)CC1 ZINC001164423539 718915398 /nfs/dbraw/zinc/91/53/98/718915398.db2.gz INLRTYAKNHDDOT-IBGZPJMESA-N 2 0 361.490 0.419 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164691647 719758223 /nfs/dbraw/zinc/75/82/23/719758223.db2.gz PNODHBBNJNJKMA-UHFFFAOYSA-N 2 0 358.490 0.653 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001164729847 720508623 /nfs/dbraw/zinc/50/86/23/720508623.db2.gz JQCHMFCPIBEKMN-OAHLLOKOSA-N 2 0 356.478 0.281 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001164735165 720521121 /nfs/dbraw/zinc/52/11/21/720521121.db2.gz VMQPAPXQMKTYGA-INIZCTEOSA-N 2 0 355.490 0.886 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001165012240 721750306 /nfs/dbraw/zinc/75/03/06/721750306.db2.gz DGPCKZSESGIEJD-UHFFFAOYSA-N 2 0 358.490 0.686 20 0 FCADRP C[NH+](C)[C@H]1CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001165034107 721885276 /nfs/dbraw/zinc/88/52/76/721885276.db2.gz AUGKIXFCKSGTAH-LBPRGKRZSA-N 2 0 353.492 0.099 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCCCC1 ZINC001070288342 837643461 /nfs/dbraw/zinc/64/34/61/837643461.db2.gz LTOMVPXTJYPXDY-XHSDSOJGSA-N 2 0 352.458 0.854 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001070378224 837650882 /nfs/dbraw/zinc/65/08/82/837650882.db2.gz GFPYKUZUVGUFGP-OGWOLHLISA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924789 837702667 /nfs/dbraw/zinc/70/26/67/837702667.db2.gz SODDGYIIPGALSU-XHSDSOJGSA-N 2 0 350.463 0.597 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](CC3CCC3)CC2)CC[N@@H+]1C ZINC001070964307 837705388 /nfs/dbraw/zinc/70/53/88/837705388.db2.gz CIEUSGRHTVOARY-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071055598 837720594 /nfs/dbraw/zinc/72/05/94/837720594.db2.gz MRRMYZQDNMPATC-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071055599 837720617 /nfs/dbraw/zinc/72/06/17/837720617.db2.gz MRRMYZQDNMPATC-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001100343692 844051829 /nfs/dbraw/zinc/05/18/29/844051829.db2.gz NFWDRFIUTNCQSW-PRLABOORSA-N 2 0 371.547 0.636 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171984 844088668 /nfs/dbraw/zinc/08/86/68/844088668.db2.gz RIHQFVAKXUZWBD-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CS(=O)(=O)N1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000701603942 836100481 /nfs/dbraw/zinc/10/04/81/836100481.db2.gz DXVVBMCGMPMOOA-QGZVFWFLSA-N 2 0 367.515 0.637 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350860 844154971 /nfs/dbraw/zinc/15/49/71/844154971.db2.gz HUFGVVKRFGMRDL-APWZRJJASA-N 2 0 350.507 0.587 20 0 FCADRP CNC(=O)C1([NH2+]CCOCC[NH2+]C2(C(=O)NC)CCCC2)CCCC1 ZINC000749846216 836390278 /nfs/dbraw/zinc/39/02/78/836390278.db2.gz VTMHOVRNJFQAQW-UHFFFAOYSA-N 2 0 354.495 0.300 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101365963 844162226 /nfs/dbraw/zinc/16/22/26/844162226.db2.gz SYTQTDVQXKYFQO-APWZRJJASA-N 2 0 353.507 0.508 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101400484 844175320 /nfs/dbraw/zinc/17/53/20/844175320.db2.gz YHAVZTQDVULEII-QAPCUYQASA-N 2 0 351.495 0.134 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101439861 844186731 /nfs/dbraw/zinc/18/67/31/844186731.db2.gz COUIFRGPTNQUFM-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443665 844188343 /nfs/dbraw/zinc/18/83/43/844188343.db2.gz NMNOYNCFJUBZQZ-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(CC)CC)C[C@@]2(C)C1 ZINC001101443702 844188375 /nfs/dbraw/zinc/18/83/75/844188375.db2.gz OXMITXBDXZDGRQ-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061620634 836700447 /nfs/dbraw/zinc/70/04/47/836700447.db2.gz DKLPUJXAYKONPH-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460417 844192657 /nfs/dbraw/zinc/19/26/57/844192657.db2.gz DUXXJOUDOCDQRZ-FCEWJHQRSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461722 844193217 /nfs/dbraw/zinc/19/32/17/844193217.db2.gz QLTRMPRWRRROLQ-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)C[NH+]3CCCC3)CCC2)CC[N@@H+]1C ZINC001063106878 836750603 /nfs/dbraw/zinc/75/06/03/836750603.db2.gz JCCNRPVDYSZNLS-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001064548743 836798190 /nfs/dbraw/zinc/79/81/90/836798190.db2.gz FGMZEDHOZZCGEH-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487258 844206431 /nfs/dbraw/zinc/20/64/31/844206431.db2.gz UXGXFJOEGMJYPM-MDZRGWNJSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815588 844278887 /nfs/dbraw/zinc/27/88/87/844278887.db2.gz LUCOKYSDFYARCF-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001076751406 838084216 /nfs/dbraw/zinc/08/42/16/838084216.db2.gz MZBXTMGLZZVOQS-HRCADAONSA-N 2 0 356.511 0.306 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CC1 ZINC001077015118 838216428 /nfs/dbraw/zinc/21/64/28/838216428.db2.gz CIURZNITSLVLGD-VQHPVUNQSA-N 2 0 357.470 0.254 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976276 844357539 /nfs/dbraw/zinc/35/75/39/844357539.db2.gz UHYADZJKCOWFHK-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219082 838822834 /nfs/dbraw/zinc/82/28/34/838822834.db2.gz JBJXEDPCUHXOIW-GVDBMIGSSA-N 2 0 351.491 0.593 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077280903 838872803 /nfs/dbraw/zinc/87/28/03/838872803.db2.gz PHCHTEPWDKYVSL-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299659 838886587 /nfs/dbraw/zinc/88/65/87/838886587.db2.gz MEYDPACCOJSOKF-BHUNQDJPSA-N 2 0 351.491 0.591 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077571946 839049123 /nfs/dbraw/zinc/04/91/23/839049123.db2.gz ZSBYTMMNCOLTBH-DZJNRPSUSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051840 844398496 /nfs/dbraw/zinc/39/84/96/844398496.db2.gz PMBUJZXFDGKNTJ-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077779404 839153507 /nfs/dbraw/zinc/15/35/07/839153507.db2.gz LPYLMYXNHNZUSF-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010901 839291053 /nfs/dbraw/zinc/29/10/53/839291053.db2.gz QNAZVANURSOSCZ-IAGOWNOFSA-N 2 0 351.491 0.450 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191377 844440061 /nfs/dbraw/zinc/44/00/61/844440061.db2.gz YCTSUBDCEKKENT-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079257174 839500573 /nfs/dbraw/zinc/50/05/73/839500573.db2.gz XRXTYAJLUOMEDW-YESZJQIVSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079260819 839501983 /nfs/dbraw/zinc/50/19/83/839501983.db2.gz REZVBLBHAPNUCW-IXDOHACOSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724891 839581157 /nfs/dbraw/zinc/58/11/57/839581157.db2.gz LCFAQOIRPBHSBH-QBPKDAKJSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276180 844456394 /nfs/dbraw/zinc/45/63/94/844456394.db2.gz HHZXECIXRQADGU-LTIDMASMSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001102285528 844458699 /nfs/dbraw/zinc/45/86/99/844458699.db2.gz VRPDEDZADKSHJW-GDBMZVCRSA-N 2 0 353.463 0.648 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382617 839715003 /nfs/dbraw/zinc/71/50/03/839715003.db2.gz VATMLUAZMMQSEX-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318677 844466060 /nfs/dbraw/zinc/46/60/60/844466060.db2.gz FCXJFWRUKCJSPX-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318913 844466611 /nfs/dbraw/zinc/46/66/11/844466611.db2.gz PSXVHBVGIFYAHT-HUUCEWRRSA-N 2 0 355.527 0.720 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080780921 839798930 /nfs/dbraw/zinc/79/89/30/839798930.db2.gz HFNWGVACOFLUDL-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366365 844475738 /nfs/dbraw/zinc/47/57/38/844475738.db2.gz CALPSDVZLMJACR-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001081672832 839993868 /nfs/dbraw/zinc/99/38/68/839993868.db2.gz LXMBIEJQIRJYAO-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434277 844497091 /nfs/dbraw/zinc/49/70/91/844497091.db2.gz XSYRTPBIISBDKT-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959833 840124138 /nfs/dbraw/zinc/12/41/38/840124138.db2.gz ZSDQBWIPAUXSGY-CBYDULDESA-N 2 0 351.491 0.711 20 0 FCADRP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223338 840247412 /nfs/dbraw/zinc/24/74/12/840247412.db2.gz QIPWHLZOLYYZDA-IAGOWNOFSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488896 844524976 /nfs/dbraw/zinc/52/49/76/844524976.db2.gz MELABSTVTYMIEH-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326500 840310375 /nfs/dbraw/zinc/31/03/75/840310375.db2.gz GOROPPAANJFVID-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328804 840313575 /nfs/dbraw/zinc/31/35/75/840313575.db2.gz MMASCRNIPSFOOZ-ARFHVFGLSA-N 2 0 351.491 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102496959 844531062 /nfs/dbraw/zinc/53/10/62/844531062.db2.gz UKLJNHITYNULDM-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082511714 840444237 /nfs/dbraw/zinc/44/42/37/840444237.db2.gz MWUYVVNPHRVSMS-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncs1 ZINC001082653541 840513053 /nfs/dbraw/zinc/51/30/53/840513053.db2.gz PVSWLBIXXLYRLF-YRWBVFEESA-N 2 0 362.499 0.943 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082699510 840528495 /nfs/dbraw/zinc/52/84/95/840528495.db2.gz BOWQGJMUFJZHGQ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082705672 840531572 /nfs/dbraw/zinc/53/15/72/840531572.db2.gz SQKZWENUZLJFTO-LTIDMASMSA-N 2 0 350.507 0.776 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861974 840588351 /nfs/dbraw/zinc/58/83/51/840588351.db2.gz UQTISRBRBYROLX-FVQBIDKESA-N 2 0 366.531 0.997 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082921602 840603415 /nfs/dbraw/zinc/60/34/15/840603415.db2.gz WOCMOGYICUGROB-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082941802 840616085 /nfs/dbraw/zinc/61/60/85/840616085.db2.gz MUJAOTODEWFZTI-BRWVUGGUSA-N 2 0 371.547 0.734 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082943698 840616924 /nfs/dbraw/zinc/61/69/24/840616924.db2.gz XUDMOGQXEJHQPC-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578015 844571657 /nfs/dbraw/zinc/57/16/57/844571657.db2.gz HPPHEJAENVGBFT-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577871 844571973 /nfs/dbraw/zinc/57/19/73/844571973.db2.gz AWTZXFGPZUNZHS-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](C[C@@H]4CCOC4)C[C@@H]32)C1 ZINC001083193359 840788703 /nfs/dbraw/zinc/78/87/03/840788703.db2.gz NUDKERWWDOSOPC-YESZJQIVSA-N 2 0 351.491 0.666 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083230452 840816869 /nfs/dbraw/zinc/81/68/69/840816869.db2.gz AGKNBRQIHHRJEF-OKZBNKHCSA-N 2 0 351.491 0.666 20 0 FCADRP COCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244680 840828314 /nfs/dbraw/zinc/82/83/14/840828314.db2.gz GJFUEMSEVJJRBN-ZWKOTPCHSA-N 2 0 351.491 0.666 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083275650 840858238 /nfs/dbraw/zinc/85/82/38/840858238.db2.gz PLMIEFWMKWRADJ-ZGUYJTEBSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083284155 840868210 /nfs/dbraw/zinc/86/82/10/840868210.db2.gz SYBTVUHNWIHAAQ-OKZBNKHCSA-N 2 0 351.491 0.811 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601333 844592130 /nfs/dbraw/zinc/59/21/30/844592130.db2.gz YHNHBKMBNIWRTD-HZPDHXFCSA-N 2 0 356.511 0.163 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102600257 844592869 /nfs/dbraw/zinc/59/28/69/844592869.db2.gz WINHVSNXIPWBOO-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472556 841047320 /nfs/dbraw/zinc/04/73/20/841047320.db2.gz DLNWSEAZPPLUBS-TUVASFSCSA-N 2 0 352.504 0.496 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083783086 841434813 /nfs/dbraw/zinc/43/48/13/841434813.db2.gz ZFIDXZBHTQSKQZ-SJORKVTESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083832924 841477301 /nfs/dbraw/zinc/47/73/01/841477301.db2.gz AOMIUOHHPSAAEZ-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878086 861240796 /nfs/dbraw/zinc/24/07/96/861240796.db2.gz GYTNUUJTSCEQSU-VQIMIIECSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275878759 861243223 /nfs/dbraw/zinc/24/32/23/861243223.db2.gz LKRIGNCMBQILGY-LJQANCHMSA-N 2 0 351.491 0.668 20 0 FCADRP CC[C@@H](C(N)=O)N1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275878809 861243382 /nfs/dbraw/zinc/24/33/82/861243382.db2.gz LTMZDVNFGKJZQJ-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@@H](C(N)=O)N1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275878810 861244153 /nfs/dbraw/zinc/24/41/53/861244153.db2.gz LTMZDVNFGKJZQJ-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP CCNC(=O)CN1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275880587 861245694 /nfs/dbraw/zinc/24/56/94/861245694.db2.gz UTMGKMLORHTLEX-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)CC[N@@H+]1C ZINC001085016923 841990006 /nfs/dbraw/zinc/99/00/06/841990006.db2.gz WGDKICPHOGRSAD-YVSFHVDLSA-N 2 0 350.507 0.728 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014201 841990609 /nfs/dbraw/zinc/99/06/09/841990609.db2.gz KXRGGYJGPNIJGV-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100601 842018724 /nfs/dbraw/zinc/01/87/24/842018724.db2.gz PKGIELWTHKHWAN-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001275941372 861262707 /nfs/dbraw/zinc/26/27/07/861262707.db2.gz KBFAOKJWLFHHTN-CRAIPNDOSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085393947 842092863 /nfs/dbraw/zinc/09/28/63/842092863.db2.gz PEUAWPJFYIDOQS-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001086659422 842144562 /nfs/dbraw/zinc/14/45/62/842144562.db2.gz VRIMUYBEYGLLLS-BBWFWOEESA-N 2 0 371.547 0.780 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001086841891 842182388 /nfs/dbraw/zinc/18/23/88/842182388.db2.gz CKBQBDMTUBUEGU-UAGQMJEPSA-N 2 0 350.507 0.870 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087062944 842259336 /nfs/dbraw/zinc/25/93/36/842259336.db2.gz BNCIPUUIMLZVCZ-RBSFLKMASA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087062762 842259809 /nfs/dbraw/zinc/25/98/09/842259809.db2.gz TYFDBXDVHMRQKD-BZUAXINKSA-N 2 0 351.495 0.713 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087577829 842362830 /nfs/dbraw/zinc/36/28/30/842362830.db2.gz LWXBCVXRISVVDK-MXASKKJJSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087827648 842440705 /nfs/dbraw/zinc/44/07/05/842440705.db2.gz DGBJSPNSTWELBC-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087828201 842441516 /nfs/dbraw/zinc/44/15/16/842441516.db2.gz DJYOAXIZLWCOEF-SOUVJXGZSA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088010767 842499226 /nfs/dbraw/zinc/49/92/26/842499226.db2.gz JNZRHBLLMOPFKS-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064583 842521827 /nfs/dbraw/zinc/52/18/27/842521827.db2.gz LSWNEROPPOYTFB-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH+](CCO)C3)CC2)CC[N@@H+]1C ZINC001088234138 842565976 /nfs/dbraw/zinc/56/59/76/842565976.db2.gz JQJKHNIWNUGBKZ-KBAYOESNSA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCN1CCCC1=O ZINC001088981202 842734319 /nfs/dbraw/zinc/73/43/19/842734319.db2.gz HOTFYHJRPIPHTI-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCCF)C2 ZINC001091868407 843116678 /nfs/dbraw/zinc/11/66/78/843116678.db2.gz PVADTEZPFNQTJC-IXUXSNFZSA-N 2 0 351.466 0.990 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145902 843164757 /nfs/dbraw/zinc/16/47/57/843164757.db2.gz VOFKIWDDSKOFGE-FCEWJHQRSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510763 843224935 /nfs/dbraw/zinc/22/49/35/843224935.db2.gz YSTTUKNWYHCEJX-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CO[C@H](C)C[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615773 843251948 /nfs/dbraw/zinc/25/19/48/843251948.db2.gz PEIIODIIRXBHSP-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194210 843403823 /nfs/dbraw/zinc/40/38/23/843403823.db2.gz XOVQRUCJSXOKPB-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225609 843413455 /nfs/dbraw/zinc/41/34/55/843413455.db2.gz QAHUASNRWUWAKM-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001094013981 843505301 /nfs/dbraw/zinc/50/53/01/843505301.db2.gz ORKGNBZVAKFXLI-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094220968 843532129 /nfs/dbraw/zinc/53/21/29/843532129.db2.gz IBPBZIDGEWUXRN-ZIAGYGMSSA-N 2 0 350.467 0.416 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094497026 843557896 /nfs/dbraw/zinc/55/78/96/843557896.db2.gz LRSTZVAYCHSFKI-GPMSIDNRSA-N 2 0 350.507 0.955 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094584942 843563530 /nfs/dbraw/zinc/56/35/30/843563530.db2.gz JTJFWNJPMGTXOB-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001097216143 843854120 /nfs/dbraw/zinc/85/41/20/843854120.db2.gz SBPFGLTVEPBBMY-BDXSIMOUSA-N 2 0 351.491 0.734 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030869 843956896 /nfs/dbraw/zinc/95/68/96/843956896.db2.gz HDGYPJMJOHBCLW-VCBZYWHSSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062842 843958631 /nfs/dbraw/zinc/95/86/31/843958631.db2.gz JSCBHGKLJUEPOF-ALKREAHSSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCOCCO)CC[N@@H+]1C ZINC001099080175 843960564 /nfs/dbraw/zinc/96/05/64/843960564.db2.gz NJXBWJQKRDLESF-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001102999988 844681561 /nfs/dbraw/zinc/68/15/61/844681561.db2.gz MJZRDYXWLISBSO-HZPDHXFCSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001103085316 844697765 /nfs/dbraw/zinc/69/77/65/844697765.db2.gz PRQMLRWBECPRMF-JFIYKMOQSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375026 844744514 /nfs/dbraw/zinc/74/45/14/844744514.db2.gz VVTJTPHMGLOEGM-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374998 844744582 /nfs/dbraw/zinc/74/45/82/844744582.db2.gz UQEBFCUOJFOQBN-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375065 844745437 /nfs/dbraw/zinc/74/54/37/844745437.db2.gz XNDQPXCUHDGSBJ-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378810 844746041 /nfs/dbraw/zinc/74/60/41/844746041.db2.gz LKLIPIMPLJISMO-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395917 844750755 /nfs/dbraw/zinc/75/07/55/844750755.db2.gz SJHHENJHMVYFJN-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435908 844757602 /nfs/dbraw/zinc/75/76/02/844757602.db2.gz DDDMRORQEFGTQH-GVDBMIGSSA-N 2 0 352.523 0.929 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438517 844759474 /nfs/dbraw/zinc/75/94/74/844759474.db2.gz NQROJWZIVCKYRW-BRWVUGGUSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H](COCC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001103448575 844760377 /nfs/dbraw/zinc/76/03/77/844760377.db2.gz TVKSEBXPZQDMTK-OWCLPIDISA-N 2 0 354.495 0.047 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570770 844782797 /nfs/dbraw/zinc/78/27/97/844782797.db2.gz FJWOBMMUTRGVDM-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103571059 844783163 /nfs/dbraw/zinc/78/31/63/844783163.db2.gz TWLDAHAVPBLERA-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718769 844807548 /nfs/dbraw/zinc/80/75/48/844807548.db2.gz DRQVBAKBIRGKJD-ZACQAIPSSA-N 2 0 352.523 0.881 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753382 844815998 /nfs/dbraw/zinc/81/59/98/844815998.db2.gz FUBQQRVXMVULQE-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211136 844877757 /nfs/dbraw/zinc/87/77/57/844877757.db2.gz TUYXOBALBNCSTE-QBPKDAKJSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104291169 844891013 /nfs/dbraw/zinc/89/10/13/844891013.db2.gz KRUCEDOYXDSEAV-BMFZPTHFSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104353849 844897180 /nfs/dbraw/zinc/89/71/80/844897180.db2.gz JQYRYCVPXLMQCH-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104385423 844905604 /nfs/dbraw/zinc/90/56/04/844905604.db2.gz VIXAUZWZWYVCJE-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N(C)CC1CC1 ZINC001104621901 844926648 /nfs/dbraw/zinc/92/66/48/844926648.db2.gz NGOPYBUPVJANKL-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104623876 844927863 /nfs/dbraw/zinc/92/78/63/844927863.db2.gz IJEIUTWPDXIWSA-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104676827 844932485 /nfs/dbraw/zinc/93/24/85/844932485.db2.gz ZNRXMQVEWJNTNB-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(CC[NH+]1CCCCC1)C2 ZINC001276640205 861513672 /nfs/dbraw/zinc/51/36/72/861513672.db2.gz XXRXOJLMTNXLLQ-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908241 844958580 /nfs/dbraw/zinc/95/85/80/844958580.db2.gz OJWIPGDBANKSDA-UKRRQHHQSA-N 2 0 353.467 0.530 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cncn1C ZINC001104908308 844958779 /nfs/dbraw/zinc/95/87/79/844958779.db2.gz QTMZLYKGZUOMMI-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001105014466 844969217 /nfs/dbraw/zinc/96/92/17/844969217.db2.gz QYPDQGZCZGSTPX-HZPDHXFCSA-N 2 0 351.495 0.182 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062124 844974948 /nfs/dbraw/zinc/97/49/48/844974948.db2.gz ALJLUVQNLBAANE-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105666662 845013389 /nfs/dbraw/zinc/01/33/89/845013389.db2.gz HRKKGPRNWYDFJF-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667276 845013404 /nfs/dbraw/zinc/01/34/04/845013404.db2.gz AFOFIIBBCBKPJK-FPAYPSAMSA-N 2 0 355.523 0.677 20 0 FCADRP CC(C)[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668405 845014735 /nfs/dbraw/zinc/01/47/35/845014735.db2.gz WSPVLAXJHSHWKA-PSBWJHGTSA-N 2 0 355.523 0.939 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001105945322 845064896 /nfs/dbraw/zinc/06/48/96/845064896.db2.gz SYGPCYJWFLJNHD-MCIONIFRSA-N 2 0 365.503 0.860 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106111978 845102549 /nfs/dbraw/zinc/10/25/49/845102549.db2.gz UNSLGNHVGQOHQO-OAGGEKHMSA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106143009 845113242 /nfs/dbraw/zinc/11/32/42/845113242.db2.gz JOXUNKIVOHBRPQ-OIISXLGYSA-N 2 0 371.547 0.447 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148590 845115113 /nfs/dbraw/zinc/11/51/13/845115113.db2.gz UCZYNXSDSFCDTC-QBPKDAKJSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106149308 845115296 /nfs/dbraw/zinc/11/52/96/845115296.db2.gz DWVXBJDTBSJAPO-KLHDSHLOSA-N 2 0 351.495 0.036 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106198633 845129645 /nfs/dbraw/zinc/12/96/45/845129645.db2.gz IABLVZFXXGKSIK-KFWWJZLASA-N 2 0 365.515 0.395 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106198888 845129753 /nfs/dbraw/zinc/12/97/53/845129753.db2.gz RMVLYEXDAOAPQL-BZUAXINKSA-N 2 0 356.486 0.583 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106255499 845144554 /nfs/dbraw/zinc/14/45/54/845144554.db2.gz VWAUBAGZROHRDU-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106309544 845152956 /nfs/dbraw/zinc/15/29/56/845152956.db2.gz XJJWSSQKTTWWSZ-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106321810 845153871 /nfs/dbraw/zinc/15/38/71/845153871.db2.gz FMMCGDJIKOXQAB-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106321827 845154206 /nfs/dbraw/zinc/15/42/06/845154206.db2.gz FQXTWTAMDABHSI-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001106599416 845202475 /nfs/dbraw/zinc/20/24/75/845202475.db2.gz HGKYIMHRMIVTAQ-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599801 845202805 /nfs/dbraw/zinc/20/28/05/845202805.db2.gz NYVGOKRSCZXSJA-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106751317 845241487 /nfs/dbraw/zinc/24/14/87/845241487.db2.gz FARMENKDZNYILG-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106751271 845241621 /nfs/dbraw/zinc/24/16/21/845241621.db2.gz CHOPQAOIEFWPIZ-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779488 845250900 /nfs/dbraw/zinc/25/09/00/845250900.db2.gz PCZMQFDANRBJRB-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001106840189 845266044 /nfs/dbraw/zinc/26/60/44/845266044.db2.gz CLCODMIZBLJXMK-HUUCEWRRSA-N 2 0 351.499 0.780 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106839458 845266199 /nfs/dbraw/zinc/26/61/99/845266199.db2.gz JGSDEJLISSBDTA-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884796 845278371 /nfs/dbraw/zinc/27/83/71/845278371.db2.gz NFXIWKSFYRBQSV-HZPDHXFCSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)CS(C)(=O)=O ZINC001106884328 845278504 /nfs/dbraw/zinc/27/85/04/845278504.db2.gz DKOWXNXAECDEEN-BZUAXINKSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106881837 845278567 /nfs/dbraw/zinc/27/85/67/845278567.db2.gz LVGPRVICICEVEZ-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882008 845278760 /nfs/dbraw/zinc/27/87/60/845278760.db2.gz OMRMTOLIRSGLLH-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106905424 845283068 /nfs/dbraw/zinc/28/30/68/845283068.db2.gz OWEDVLNFBBDXNA-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106904063 845283100 /nfs/dbraw/zinc/28/31/00/845283100.db2.gz YOJGZZMKZPOCTI-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106907758 845284496 /nfs/dbraw/zinc/28/44/96/845284496.db2.gz BHLGHIRWWQRWIG-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106982986 845299857 /nfs/dbraw/zinc/29/98/57/845299857.db2.gz RGVLTTLLIIYRIC-FRRDWIJNSA-N 2 0 364.412 0.301 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106981433 845299875 /nfs/dbraw/zinc/29/98/75/845299875.db2.gz NVPAZGWKDWFXPM-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106983807 845301024 /nfs/dbraw/zinc/30/10/24/845301024.db2.gz KMNHXFVRDDZZJL-ZIAGYGMSSA-N 2 0 365.503 0.862 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106984320 845301135 /nfs/dbraw/zinc/30/11/35/845301135.db2.gz IXPSCOOWAMWGKE-CHWSQXEVSA-N 2 0 364.412 0.445 20 0 FCADRP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)CS(C)(=O)=O ZINC001106984648 845301213 /nfs/dbraw/zinc/30/12/13/845301213.db2.gz XHBVGWKJHWHBOV-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107036474 845315957 /nfs/dbraw/zinc/31/59/57/845315957.db2.gz LQSOFOCSMBYSMW-NUJGCVRESA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001107038642 845317034 /nfs/dbraw/zinc/31/70/34/845317034.db2.gz BLQSYMIQKOELHA-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410895 845368654 /nfs/dbraw/zinc/36/86/54/845368654.db2.gz ZUROUSBJUQCXAP-YKTARERQSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521104 845390097 /nfs/dbraw/zinc/39/00/97/845390097.db2.gz MGGZRJFTDUMXIP-CRAIPNDOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107522771 845390194 /nfs/dbraw/zinc/39/01/94/845390194.db2.gz SQIXGIGGJJIKST-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609208 845407266 /nfs/dbraw/zinc/40/72/66/845407266.db2.gz IGQMWTZSKJDAAH-FRQCXROJSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633275 845412235 /nfs/dbraw/zinc/41/22/35/845412235.db2.gz QEHBNNUIAUTVJM-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001107952887 845419059 /nfs/dbraw/zinc/41/90/59/845419059.db2.gz MYJCUELFWPNHGX-SUMDDJOVSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109396814 845643930 /nfs/dbraw/zinc/64/39/30/845643930.db2.gz KBMNZXHGIWOBOO-MHORFTMASA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110961014 846002660 /nfs/dbraw/zinc/00/26/60/846002660.db2.gz OQEDQWGDBFZMFT-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819795 861631062 /nfs/dbraw/zinc/63/10/62/861631062.db2.gz WKTPOKIRTXVVFI-KSSFIOAISA-N 2 0 355.479 0.175 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111494208 846126373 /nfs/dbraw/zinc/12/63/73/846126373.db2.gz DPMAUFPIKLCUOE-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854557 846231476 /nfs/dbraw/zinc/23/14/76/846231476.db2.gz RPZORERMHVIMPN-DOXZYTNZSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111858180 846233784 /nfs/dbraw/zinc/23/37/84/846233784.db2.gz SARYHOAYQAVRBK-YJBOKZPZSA-N 2 0 351.495 0.324 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862181 846235462 /nfs/dbraw/zinc/23/54/62/846235462.db2.gz ACDUOYYRQOYKAL-YJBOKZPZSA-N 2 0 353.511 0.616 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112123409 846401530 /nfs/dbraw/zinc/40/15/30/846401530.db2.gz IPGRDKBTJFJSQO-CHWSQXEVSA-N 2 0 369.428 0.705 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112122657 846401580 /nfs/dbraw/zinc/40/15/80/846401580.db2.gz ZKUHEGCIMQWRAS-MGPQQGTHSA-N 2 0 367.412 0.459 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112190060 846448567 /nfs/dbraw/zinc/44/85/67/846448567.db2.gz JLQJMHYGLPIEMM-CHWSQXEVSA-N 2 0 362.400 0.599 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194006 846453116 /nfs/dbraw/zinc/45/31/16/846453116.db2.gz HTYLVCRWOVULRZ-CHWSQXEVSA-N 2 0 355.401 0.580 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)N(C)C)C1 ZINC001112199314 846457101 /nfs/dbraw/zinc/45/71/01/846457101.db2.gz QQUAMURFMJYTQC-ZYHUDNBSSA-N 2 0 361.368 0.328 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285186 846487631 /nfs/dbraw/zinc/48/76/31/846487631.db2.gz OWKKVTCSSKSUQZ-FCEWJHQRSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001112359735 846497272 /nfs/dbraw/zinc/49/72/72/846497272.db2.gz IFQRATRWPRGRSS-OLMMMNRUSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401682 846501004 /nfs/dbraw/zinc/50/10/04/846501004.db2.gz SDZWGNWRBUPISE-IEZWGBDMSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001112425608 846503062 /nfs/dbraw/zinc/50/30/62/846503062.db2.gz UCQUYHLQQQZQRV-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112519007 846512086 /nfs/dbraw/zinc/51/20/86/846512086.db2.gz NNHTWPMKLQJWOM-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112518869 846512346 /nfs/dbraw/zinc/51/23/46/846512346.db2.gz HGHYYTJVVCGUTQ-RDJZCZTQSA-N 2 0 359.536 0.591 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)C1=O ZINC001112519600 846513090 /nfs/dbraw/zinc/51/30/90/846513090.db2.gz RICWEPBQTLBGMU-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001112523095 846514420 /nfs/dbraw/zinc/51/44/20/846514420.db2.gz CBZNIFNESKLQIM-RYRKJORJSA-N 2 0 371.547 0.591 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112548683 846521803 /nfs/dbraw/zinc/52/18/03/846521803.db2.gz LZMJXNHTRLWOQU-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2)C(N)=O ZINC001112563663 846525331 /nfs/dbraw/zinc/52/53/31/846525331.db2.gz HCIIYUFCYZOAQT-DAYGRLMNSA-N 2 0 354.495 0.047 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112567492 846526599 /nfs/dbraw/zinc/52/65/99/846526599.db2.gz RSJJIZVZCLJELD-LNLFQRSKSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112579429 846528964 /nfs/dbraw/zinc/52/89/64/846528964.db2.gz NBBGWVSPAOMLSN-LNLFQRSKSA-N 2 0 353.507 0.555 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112586420 846531716 /nfs/dbraw/zinc/53/17/16/846531716.db2.gz YGMWXSKMOUMAIB-BXWFABGCSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112586257 846532292 /nfs/dbraw/zinc/53/22/92/846532292.db2.gz PYEPELCQOOFZIA-KXBFYZLASA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112586137 846532354 /nfs/dbraw/zinc/53/23/54/846532354.db2.gz JHAKTFCXSHLXHF-BXWFABGCSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCCCC2)CC[N@@H+]1C ZINC001115543394 846561721 /nfs/dbraw/zinc/56/17/21/846561721.db2.gz FYDCNTSSBISAAP-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001277060069 861747092 /nfs/dbraw/zinc/74/70/92/861747092.db2.gz GYZOALDPMXIJOQ-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP COCC1(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[NH2+]CC1 ZINC001118218533 847329245 /nfs/dbraw/zinc/32/92/45/847329245.db2.gz KXPZZKKZRBSCHO-UHFFFAOYSA-N 2 0 350.467 0.257 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118263519 847353426 /nfs/dbraw/zinc/35/34/26/847353426.db2.gz IKHOLCZXSSVRSN-UHFFFAOYSA-N 2 0 352.479 0.753 20 0 FCADRP C[NH+]1CCC2(CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)CC1 ZINC001119241850 847785145 /nfs/dbraw/zinc/78/51/45/847785145.db2.gz NESQSPKEUBDVEQ-UHFFFAOYSA-N 2 0 357.520 0.488 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2C)CC1=O ZINC001120810733 848287037 /nfs/dbraw/zinc/28/70/37/848287037.db2.gz VHTZKZCQISNBDR-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@@H]1C ZINC001121362754 848343489 /nfs/dbraw/zinc/34/34/89/848343489.db2.gz QGWDSPBWAOAJMI-GJZGRUSLSA-N 2 0 350.511 0.906 20 0 FCADRP Cc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC001277499935 861909031 /nfs/dbraw/zinc/90/90/31/861909031.db2.gz NVJOFBXTZLWGMT-SFHVURJKSA-N 2 0 350.463 0.904 20 0 FCADRP CCOC(=O)N1CSC[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001122108970 848450174 /nfs/dbraw/zinc/45/01/74/848450174.db2.gz GRLZYMYNCHRVFZ-CYBMUJFWSA-N 2 0 365.459 0.961 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001123663823 848621822 /nfs/dbraw/zinc/62/18/22/848621822.db2.gz HYSKOMXJDCHTDG-VDHUWJSZSA-N 2 0 350.507 0.259 20 0 FCADRP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001123839297 848644085 /nfs/dbraw/zinc/64/40/85/848644085.db2.gz XAQGEKOIKCMAJO-BRWVUGGUSA-N 2 0 355.527 0.421 20 0 FCADRP C[C@@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001123839298 848644273 /nfs/dbraw/zinc/64/42/73/848644273.db2.gz XAQGEKOIKCMAJO-GVDBMIGSSA-N 2 0 355.527 0.421 20 0 FCADRP Cc1ncoc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570655 848725850 /nfs/dbraw/zinc/72/58/50/848725850.db2.gz AQNWOUBYQSGZNG-WBVHZDCISA-N 2 0 350.463 0.936 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccs1 ZINC001127643603 848729864 /nfs/dbraw/zinc/72/98/64/848729864.db2.gz CLKJGRUABOPOOZ-MGPQQGTHSA-N 2 0 352.504 0.971 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001127643927 848730160 /nfs/dbraw/zinc/73/01/60/848730160.db2.gz RLIWJHVHFUJWRZ-UKRRQHHQSA-N 2 0 352.504 0.719 20 0 FCADRP CC(C)N(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643911 848730189 /nfs/dbraw/zinc/73/01/89/848730189.db2.gz RBSDBKKXBIFOAG-CHWSQXEVSA-N 2 0 366.428 0.832 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851428 848778989 /nfs/dbraw/zinc/77/89/89/848778989.db2.gz MMJDYKNXHPIKGP-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052802 848801145 /nfs/dbraw/zinc/80/11/45/848801145.db2.gz NEFDSENTBUVXRX-BMFZPTHFSA-N 2 0 352.458 0.852 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369806 848835728 /nfs/dbraw/zinc/83/57/28/848835728.db2.gz HLDUSBGDLRYOSR-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894701 848909991 /nfs/dbraw/zinc/90/99/91/848909991.db2.gz QGENJAGYJKYAQA-IMJJTQAJSA-N 2 0 352.458 0.852 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129896141 848911355 /nfs/dbraw/zinc/91/13/55/848911355.db2.gz SBLSBFWFZOVLFT-IDQBRBTGSA-N 2 0 352.870 0.856 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910246 848912867 /nfs/dbraw/zinc/91/28/67/848912867.db2.gz KMAPQJJTQWOQGZ-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130043955 848935693 /nfs/dbraw/zinc/93/56/93/848935693.db2.gz IOAZJCITUOTVAY-CVEARBPZSA-N 2 0 352.483 0.124 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047833 848936163 /nfs/dbraw/zinc/93/61/63/848936163.db2.gz VYVIMHIRPAZJSI-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001130096879 848944298 /nfs/dbraw/zinc/94/42/98/848944298.db2.gz WWLHSTSOQFGJJI-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001130238046 848985190 /nfs/dbraw/zinc/98/51/90/848985190.db2.gz QMEVFAVPKBJPFP-IHRRRGAJSA-N 2 0 350.467 0.245 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131059619 849076083 /nfs/dbraw/zinc/07/60/83/849076083.db2.gz AKXFPFWUABHNSY-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131091651 849078545 /nfs/dbraw/zinc/07/85/45/849078545.db2.gz NXOATNKLXRKOLC-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cncn1C ZINC001131100896 849079791 /nfs/dbraw/zinc/07/97/91/849079791.db2.gz BGEWUCOXPNVZML-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131132407 849083031 /nfs/dbraw/zinc/08/30/31/849083031.db2.gz JOFDQFZVGXEGGL-BZUAXINKSA-N 2 0 351.495 0.679 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131522702 849118213 /nfs/dbraw/zinc/11/82/13/849118213.db2.gz UZDQYYRGFSMGFB-ZBFHGGJFSA-N 2 0 354.495 0.188 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564118 849123035 /nfs/dbraw/zinc/12/30/35/849123035.db2.gz BYGJKPAIQUWNKC-QAPCUYQASA-N 2 0 354.495 0.012 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001131562177 849123055 /nfs/dbraw/zinc/12/30/55/849123055.db2.gz NSJIZZDCKBSOGI-SUMDDJOVSA-N 2 0 353.507 0.960 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001131564107 849123329 /nfs/dbraw/zinc/12/33/29/849123329.db2.gz BMUZXRBMDQIFCD-INMHGKMJSA-N 2 0 354.495 0.188 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1 ZINC001131564523 849123692 /nfs/dbraw/zinc/12/36/92/849123692.db2.gz NAOVFJCPYXYRKI-WDYCEAGBSA-N 2 0 353.507 0.960 20 0 FCADRP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131605060 849129164 /nfs/dbraw/zinc/12/91/64/849129164.db2.gz VOBKWZSREHOVGC-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551184 849271058 /nfs/dbraw/zinc/27/10/58/849271058.db2.gz BCDWYGINLIZJTK-BSDSXHPESA-N 2 0 352.523 0.316 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC001138466156 849312386 /nfs/dbraw/zinc/31/23/86/849312386.db2.gz BCBMLLZVWXVPPH-UKRRQHHQSA-N 2 0 352.435 0.365 20 0 FCADRP COC(=O)CCn1nc(C)c(CN(C)CCN2CC[NH+](C)CC2)c1C ZINC001139789064 849348848 /nfs/dbraw/zinc/34/88/48/849348848.db2.gz WPMPXCPORYBBQA-UHFFFAOYSA-N 2 0 351.495 0.742 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC(F)F)CCCO2)CC[N@@H+]1C ZINC001149733449 849645979 /nfs/dbraw/zinc/64/59/79/849645979.db2.gz DVRKVOCYKPOWJX-RBSFLKMASA-N 2 0 363.449 0.815 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001157336965 849965174 /nfs/dbraw/zinc/96/51/74/849965174.db2.gz ROIOJKNVDRGMDA-JYJNAYRXSA-N 2 0 356.511 0.395 20 0 FCADRP O=C(N1CCN(c2ccc(F)c(F)c2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157590996 849983616 /nfs/dbraw/zinc/98/36/16/849983616.db2.gz MFBZVHGRDSMSHZ-FZKQIMNGSA-N 2 0 350.413 0.813 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157721266 849989337 /nfs/dbraw/zinc/98/93/37/849989337.db2.gz WJNHTQSDJUVMOS-AJNGGQMLSA-N 2 0 374.551 0.045 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccsc2)C1 ZINC001158167064 850021043 /nfs/dbraw/zinc/02/10/43/850021043.db2.gz ICDQNNQFJAAYPT-YYIAUSFCSA-N 2 0 364.515 0.659 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001158380124 850041578 /nfs/dbraw/zinc/04/15/78/850041578.db2.gz CMLCKQSJLDTBTE-LEWSCRJBSA-N 2 0 351.369 0.480 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C2 ZINC001158380126 850041692 /nfs/dbraw/zinc/04/16/92/850041692.db2.gz COTSWTAGJTUIEL-FIXIBIHLSA-N 2 0 363.380 0.657 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](C[NH3+])C(C)C)C2 ZINC001158383481 850043808 /nfs/dbraw/zinc/04/38/08/850043808.db2.gz NKZCADDRPMYMJL-TUKIKUTGSA-N 2 0 365.396 0.761 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422798 850049033 /nfs/dbraw/zinc/04/90/33/850049033.db2.gz LQUCRODGNOZFGE-ZQDZILKHSA-N 2 0 352.479 0.083 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001158428895 850049190 /nfs/dbraw/zinc/04/91/90/850049190.db2.gz YIIWBGXGFKXWRP-VXGBXAGGSA-N 2 0 352.401 0.491 20 0 FCADRP Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]3O2)n1 ZINC001158692970 850067558 /nfs/dbraw/zinc/06/75/58/850067558.db2.gz KJBKSUFYPRABPU-ZDEQEGDKSA-N 2 0 355.464 0.076 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cccc(C[NH3+])c1 ZINC001158735245 850071546 /nfs/dbraw/zinc/07/15/46/850071546.db2.gz SKCRLCOQKVXWHA-UHFFFAOYSA-N 2 0 364.427 0.381 20 0 FCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735992 850071992 /nfs/dbraw/zinc/07/19/92/850071992.db2.gz YMBLOCQDCFOOQB-CYBMUJFWSA-N 2 0 358.464 0.372 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819201 850137914 /nfs/dbraw/zinc/13/79/14/850137914.db2.gz VWRKNJXJLCNCOM-ZFWWWQNUSA-N 2 0 352.479 0.119 20 0 FCADRP N[C@@H](C[NH3+])C(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159887997 850143017 /nfs/dbraw/zinc/14/30/17/850143017.db2.gz ZHWHSZOZKKXTSJ-HOCLYGCPSA-N 2 0 353.417 0.427 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159907512 850144510 /nfs/dbraw/zinc/14/45/10/850144510.db2.gz FNKMLPHHTUKWBY-GRDNDAEWSA-N 2 0 368.503 0.604 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160076270 850151873 /nfs/dbraw/zinc/15/18/73/850151873.db2.gz JCLDRMUGCKSCBJ-ZQDZILKHSA-N 2 0 352.410 0.424 20 0 FCADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490506 850176500 /nfs/dbraw/zinc/17/65/00/850176500.db2.gz ACXBYMQKGMQDCF-SJLPKXTDSA-N 2 0 350.507 0.384 20 0 FCADRP O=C([C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490957 850176925 /nfs/dbraw/zinc/17/69/25/850176925.db2.gz NOCFBNFKNNOSSG-APWZRJJASA-N 2 0 351.491 0.858 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160539286 850179618 /nfs/dbraw/zinc/17/96/18/850179618.db2.gz PDGUFXUWVPQFNO-AWEZNQCLSA-N 2 0 351.476 0.382 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160725855 850194726 /nfs/dbraw/zinc/19/47/26/850194726.db2.gz FUEMELQYQYEPLE-BPUTZDHNSA-N 2 0 370.563 0.904 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001160915684 850213409 /nfs/dbraw/zinc/21/34/09/850213409.db2.gz JLJUHGDTFDGXKM-HNNXBMFYSA-N 2 0 353.854 0.827 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)CC(F)(F)C1 ZINC001160971875 850216780 /nfs/dbraw/zinc/21/67/80/850216780.db2.gz CGDQRNKVQWZOGQ-ZLKJLUDKSA-N 2 0 350.369 0.294 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007254 850220007 /nfs/dbraw/zinc/22/00/07/850220007.db2.gz JMZIPHVCYHRAET-ULQDDVLXSA-N 2 0 353.507 0.751 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C1(C)CC[NH2+]CC1 ZINC001161072616 850227969 /nfs/dbraw/zinc/22/79/69/850227969.db2.gz CVHGDLUENUYJSF-GJZGRUSLSA-N 3 0 353.511 0.034 20 0 FCADRP CCC[NH+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]2C1 ZINC001161174895 850237965 /nfs/dbraw/zinc/23/79/65/850237965.db2.gz FYFVIYNAFJNIRA-KKUMJFAQSA-N 2 0 354.495 0.045 20 0 FCADRP COc1ccc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)nc1 ZINC001161368031 850254344 /nfs/dbraw/zinc/25/43/44/850254344.db2.gz BQIAEYAIMZGMPK-KBPBESRZSA-N 2 0 354.476 0.479 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387662 850257442 /nfs/dbraw/zinc/25/74/42/850257442.db2.gz DXYJQCPCJFHLBO-LSDHHAIUSA-N 2 0 355.479 0.759 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161445454 850259547 /nfs/dbraw/zinc/25/95/47/850259547.db2.gz PFJZISHZIUJIBN-SCTDSRPQSA-N 3 0 352.523 0.677 20 0 FCADRP C[NH+](C)CCN(C(=O)C1([NH3+])CCC2(CC1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC001161444499 850260169 /nfs/dbraw/zinc/26/01/69/850260169.db2.gz IUGJLGVIJPXRCK-HNNXBMFYSA-N 3 0 354.495 0.143 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)CC12COC2 ZINC001161500846 850264424 /nfs/dbraw/zinc/26/44/24/850264424.db2.gz QGPLTDSCILSTCG-ILXRZTDVSA-N 2 0 350.488 0.398 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](CC1(O)CCOCC1)CC2 ZINC001277812669 862114377 /nfs/dbraw/zinc/11/43/77/862114377.db2.gz BKUNUBLLNYCTRS-UHFFFAOYSA-N 2 0 353.507 0.794 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1ccc(C(=O)NC2CCOCC2)nn1 ZINC001162294729 850307041 /nfs/dbraw/zinc/30/70/41/850307041.db2.gz VEEFDZIPKUYRIS-UHFFFAOYSA-N 2 0 350.467 0.516 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001162724179 850328090 /nfs/dbraw/zinc/32/80/90/850328090.db2.gz BUPRVEPCXFWPSZ-AWEZNQCLSA-N 2 0 350.467 0.429 20 0 FCADRP COC(=O)[C@@H](Nc1ncccc1C(=O)NCCC[NH+](C)C)C(C)(C)[NH3+] ZINC001162946081 850339450 /nfs/dbraw/zinc/33/94/50/850339450.db2.gz SLSRYWADTFDHTM-CYBMUJFWSA-N 2 0 351.451 0.454 20 0 FCADRP CC(C)N(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C(C)(C)C[NH3+] ZINC001163187023 850359246 /nfs/dbraw/zinc/35/92/46/850359246.db2.gz RPFHONLMKBVATR-UHFFFAOYSA-N 2 0 355.508 0.520 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833092 862121207 /nfs/dbraw/zinc/12/12/07/862121207.db2.gz BFNRBOUKOMTSTC-RHSMWYFYSA-N 2 0 363.449 0.505 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001164582780 850417483 /nfs/dbraw/zinc/41/74/83/850417483.db2.gz PFQNFOGIMWCNRV-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP O=S(=O)(N(C[C@H]1CCC[NH2+]1)c1cc2c(nn1)CC[NH2+]C2)C(F)(F)F ZINC001166883636 850509940 /nfs/dbraw/zinc/50/99/40/850509940.db2.gz WFNJRYPDDXKRTL-SNVBAGLBSA-N 2 0 365.381 0.530 20 0 FCADRP COC(=O)[C@@H](CCC[NH3+])Nc1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001167895036 850562370 /nfs/dbraw/zinc/56/23/70/850562370.db2.gz CCJSMPPEPQENSE-CQSZACIVSA-N 2 0 350.467 0.653 20 0 FCADRP C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170110713 850644977 /nfs/dbraw/zinc/64/49/77/850644977.db2.gz ZYYMFKDFHNUCCS-ROUUACIJSA-N 2 0 362.511 0.806 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170822501 850665780 /nfs/dbraw/zinc/66/57/80/850665780.db2.gz SDWVTCPQDRPUOB-QGZVFWFLSA-N 2 0 352.523 0.726 20 0 FCADRP NC(=O)[C@@H]1CCCN1C(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001170897863 850669953 /nfs/dbraw/zinc/66/99/53/850669953.db2.gz PKQMDWXAFPEDJH-NWDGAFQWSA-N 2 0 354.842 0.261 20 0 FCADRP C[NH+]1C(C)(C)CC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1(C)C ZINC001171623067 850689488 /nfs/dbraw/zinc/68/94/88/850689488.db2.gz JHQKHFQZAULFIR-UHFFFAOYSA-N 2 0 360.568 0.805 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172148970 850706485 /nfs/dbraw/zinc/70/64/85/850706485.db2.gz CWWNSGTYXDXBKQ-IRXDYDNUSA-N 2 0 357.495 0.518 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178750043 850925466 /nfs/dbraw/zinc/92/54/66/850925466.db2.gz SHLGOJJMIIVGRQ-NWDGAFQWSA-N 2 0 357.455 0.065 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178750044 850925570 /nfs/dbraw/zinc/92/55/70/850925570.db2.gz SHLGOJJMIIVGRQ-RYUDHWBXSA-N 2 0 357.455 0.065 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](COC)NC(=O)OC(C)(C)C ZINC001180790522 851067325 /nfs/dbraw/zinc/06/73/25/851067325.db2.gz ICUHPFHMHCTTPK-LBPRGKRZSA-N 2 0 359.471 0.590 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC=CO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278141255 862210624 /nfs/dbraw/zinc/21/06/24/862210624.db2.gz UVULKNXYEJUMFP-IEBWSBKVSA-N 2 0 350.507 0.897 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254249 851346480 /nfs/dbraw/zinc/34/64/80/851346480.db2.gz ZQUOJUUWLJDREZ-OAGGEKHMSA-N 2 0 363.531 0.812 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 ZINC001188106925 851645613 /nfs/dbraw/zinc/64/56/13/851645613.db2.gz CVFRUVBTXDJDPR-NUEKZKHPSA-N 2 0 354.470 0.478 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001188985229 851740968 /nfs/dbraw/zinc/74/09/68/851740968.db2.gz AXXZARZLHVBVNY-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC1(C)OCC(C[N@@H+]2C[C@@H]3OCCN(CCn4ccnc4)[C@H]3C2)CO1 ZINC001278267772 862283297 /nfs/dbraw/zinc/28/32/97/862283297.db2.gz NRBKCPFHYLXUPW-IRXDYDNUSA-N 2 0 350.463 0.667 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820124 851828385 /nfs/dbraw/zinc/82/83/85/851828385.db2.gz QMCRAPLFGIGEFO-HRCADAONSA-N 2 0 354.495 0.141 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871446 851832856 /nfs/dbraw/zinc/83/28/56/851832856.db2.gz OWVQJOMITOAHIA-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871058 851832936 /nfs/dbraw/zinc/83/29/36/851832936.db2.gz JXNFAQSMGVDHBF-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870658 851833239 /nfs/dbraw/zinc/83/32/39/851833239.db2.gz CRNJBGUGEOJPPL-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177488 851870571 /nfs/dbraw/zinc/87/05/71/851870571.db2.gz NGDWYYYPJWPGKN-JKSUJKDBSA-N 2 0 351.495 0.323 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212557 851875672 /nfs/dbraw/zinc/87/56/72/851875672.db2.gz FOPZPCGGRJTXJX-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nccnc1I ZINC001191532613 852093100 /nfs/dbraw/zinc/09/31/00/852093100.db2.gz IZMGLTFLLBIMHR-UHFFFAOYSA-N 2 0 362.175 0.156 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCC4)CC3)[C@H]2C1 ZINC001278471348 862343013 /nfs/dbraw/zinc/34/30/13/862343013.db2.gz NSWBUSZBHLWJOO-IRXDYDNUSA-N 2 0 351.491 0.919 20 0 FCADRP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738391 852478957 /nfs/dbraw/zinc/47/89/57/852478957.db2.gz SNHDXMGKFSMAPO-KZNAEPCWSA-N 2 0 353.507 0.981 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320999 852578369 /nfs/dbraw/zinc/57/83/69/852578369.db2.gz CHNJQEZHOZVOAF-USXIJHARSA-N 2 0 355.523 0.962 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997488 852690162 /nfs/dbraw/zinc/69/01/62/852690162.db2.gz RPUJUTBVNFDUOO-CGTJXYLNSA-N 2 0 355.523 0.963 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)CCCC1 ZINC001195005962 852690627 /nfs/dbraw/zinc/69/06/27/852690627.db2.gz BSFABRXFLOVNCE-GVDBMIGSSA-N 2 0 353.507 0.981 20 0 FCADRP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001195290180 852736727 /nfs/dbraw/zinc/73/67/27/852736727.db2.gz UOKFYTRADIAHSW-MRXNPFEDSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1O)[NH+](C)C ZINC001195981622 852859948 /nfs/dbraw/zinc/85/99/48/852859948.db2.gz XFIORGSOQOSREZ-RBSFLKMASA-N 2 0 357.886 0.284 20 0 FCADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319702 853098162 /nfs/dbraw/zinc/09/81/62/853098162.db2.gz PTVKEXVEIKTSQV-CGTJXYLNSA-N 2 0 355.523 0.941 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775844 853160934 /nfs/dbraw/zinc/16/09/34/853160934.db2.gz OJRSIYAHVJVUIT-BFHYXJOUSA-N 2 0 367.412 0.459 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1O ZINC001197949486 853190125 /nfs/dbraw/zinc/19/01/25/853190125.db2.gz RYBWEENVKJDCEP-HUUCEWRRSA-N 2 0 357.886 0.430 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199018228 853355667 /nfs/dbraw/zinc/35/56/67/853355667.db2.gz RVSMIXLTPVHKSC-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccnc(OCC2CCOCC2)n1 ZINC001199646249 853449983 /nfs/dbraw/zinc/44/99/83/853449983.db2.gz ABKWSVLFIMMADU-UHFFFAOYSA-N 2 0 350.423 0.357 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001205334749 853603788 /nfs/dbraw/zinc/60/37/88/853603788.db2.gz QRJRLOLHTPMGEE-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205429065 853609380 /nfs/dbraw/zinc/60/93/80/853609380.db2.gz QABUEPPRMOOPLN-JKSUJKDBSA-N 2 0 350.438 0.537 20 0 FCADRP CO[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510910 853618334 /nfs/dbraw/zinc/61/83/34/853618334.db2.gz OIAQNADUBKJLHK-YESZJQIVSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205516558 853618987 /nfs/dbraw/zinc/61/89/87/853618987.db2.gz KHURNBCCQBAMGG-DLBZAZTESA-N 2 0 353.507 0.650 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205516827 853619433 /nfs/dbraw/zinc/61/94/33/853619433.db2.gz XJIPGUSVKILCBD-IXDOHACOSA-N 2 0 353.507 0.648 20 0 FCADRP CC(C)C(=O)N1CC[N@H+](CC2CC[NH2+]CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001207436443 853813467 /nfs/dbraw/zinc/81/34/67/853813467.db2.gz CISHCCRYLZAYGV-IBGZPJMESA-N 2 0 350.507 0.825 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568188 853827801 /nfs/dbraw/zinc/82/78/01/853827801.db2.gz TZZVJIUCZAHNKB-RHSMWYFYSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207602199 853828432 /nfs/dbraw/zinc/82/84/32/853828432.db2.gz OJYGXBRMPBLWHC-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617338 853830294 /nfs/dbraw/zinc/83/02/94/853830294.db2.gz RBCQYQBTVXTLJX-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706079 853843000 /nfs/dbraw/zinc/84/30/00/853843000.db2.gz NFKONHYDDVILIS-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001207698103 853843686 /nfs/dbraw/zinc/84/36/86/853843686.db2.gz RXFKWAQUWJWFRB-RBSFLKMASA-N 2 0 362.540 0.045 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001208074188 853892458 /nfs/dbraw/zinc/89/24/58/853892458.db2.gz UPFXYXIOGTWBHU-YESZJQIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435111 853934842 /nfs/dbraw/zinc/93/48/42/853934842.db2.gz SQWYHMGZKODNFO-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448111 853935536 /nfs/dbraw/zinc/93/55/36/853935536.db2.gz VRNQSAWZWJRNCE-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208619580 853960083 /nfs/dbraw/zinc/96/00/83/853960083.db2.gz GOQNCZPNUJQSAX-IIDMSEBBSA-N 2 0 359.486 0.644 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210275323 854093916 /nfs/dbraw/zinc/09/39/16/854093916.db2.gz BTSCZEOKQWWAKL-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426995 854108867 /nfs/dbraw/zinc/10/88/67/854108867.db2.gz MOZQOVCVBRRIBH-NVXWUHKLSA-N 2 0 356.511 0.308 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353261 854448328 /nfs/dbraw/zinc/44/83/28/854448328.db2.gz NUMDVWGAMLOCPR-GVDBMIGSSA-N 2 0 359.486 0.908 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430559 854475066 /nfs/dbraw/zinc/47/50/66/854475066.db2.gz RLIWUEMWNKINDT-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495350 854500993 /nfs/dbraw/zinc/50/09/93/854500993.db2.gz CPKQRPKXECWOAD-DJIMGWMZSA-N 2 0 350.463 0.758 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346540 854583940 /nfs/dbraw/zinc/58/39/40/854583940.db2.gz RLAZWIPGQHCONB-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730223 854740900 /nfs/dbraw/zinc/74/09/00/854740900.db2.gz JCHTVLUNINIQDH-ARFHVFGLSA-N 2 0 357.495 0.195 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213925430 854826792 /nfs/dbraw/zinc/82/67/92/854826792.db2.gz CGZMFERBSBRIEO-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974408 854850936 /nfs/dbraw/zinc/85/09/36/854850936.db2.gz YNHWLGLDXPFONJ-GVDBMIGSSA-N 2 0 357.495 0.075 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974407 854851283 /nfs/dbraw/zinc/85/12/83/854851283.db2.gz YNHWLGLDXPFONJ-BRWVUGGUSA-N 2 0 357.495 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214661721 854987766 /nfs/dbraw/zinc/98/77/66/854987766.db2.gz ADWBCXMHQMAUIS-MUIFIZLQSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001214665465 854989142 /nfs/dbraw/zinc/98/91/42/854989142.db2.gz CLHFHEAUWXJFJP-QKPAOTATSA-N 2 0 374.551 0.045 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214757384 855003675 /nfs/dbraw/zinc/00/36/75/855003675.db2.gz KWCDLETUJOXUNW-VNQPRFMTSA-N 2 0 356.486 0.629 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214860926 855025022 /nfs/dbraw/zinc/02/50/22/855025022.db2.gz BJXRRAKNSSIHHL-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C)C1CC1 ZINC001214968772 855042379 /nfs/dbraw/zinc/04/23/79/855042379.db2.gz BDHNAKQAMFWJAT-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001214990281 855048641 /nfs/dbraw/zinc/04/86/41/855048641.db2.gz HYIBKFHNVZCPQQ-OWCLPIDISA-N 2 0 351.495 0.411 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001215002128 855050865 /nfs/dbraw/zinc/05/08/65/855050865.db2.gz ZYNURTTUOPAETJ-VXGBXAGGSA-N 2 0 366.428 0.832 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215407822 855111055 /nfs/dbraw/zinc/11/10/55/855111055.db2.gz SUWMXWJNPDMAHA-UKRRQHHQSA-N 2 0 350.463 0.916 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215423332 855112719 /nfs/dbraw/zinc/11/27/19/855112719.db2.gz HKFIISFOVQTBJF-FRRDWIJNSA-N 2 0 366.428 0.832 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215421801 855112735 /nfs/dbraw/zinc/11/27/35/855112735.db2.gz MWEYGPNFDCSASD-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001215423926 855112941 /nfs/dbraw/zinc/11/29/41/855112941.db2.gz XJLHDIZWPQWJKL-CHWSQXEVSA-N 2 0 366.428 0.785 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215476736 855119957 /nfs/dbraw/zinc/11/99/57/855119957.db2.gz SHRLTYFWONQDSG-BFYDXBDKSA-N 2 0 356.511 0.162 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215539862 855126345 /nfs/dbraw/zinc/12/63/45/855126345.db2.gz AULDMQMJXYBYJX-IIDMSEBBSA-N 2 0 359.486 0.644 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541032 855127481 /nfs/dbraw/zinc/12/74/81/855127481.db2.gz VIEWSOOJNAEBRX-LBTNJELSSA-N 2 0 356.486 0.724 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215551169 855128085 /nfs/dbraw/zinc/12/80/85/855128085.db2.gz LVKYQBSCWIAGDT-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216226310 855181347 /nfs/dbraw/zinc/18/13/47/855181347.db2.gz RZWJZCRTROZJOP-UKRRQHHQSA-N 2 0 354.520 0.997 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216229526 855182152 /nfs/dbraw/zinc/18/21/52/855182152.db2.gz JKRWORJRWWIMNQ-HZPDHXFCSA-N 2 0 361.552 0.978 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001216383835 855197557 /nfs/dbraw/zinc/19/75/57/855197557.db2.gz QUOXRBGVZFYWEL-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401682 855199372 /nfs/dbraw/zinc/19/93/72/855199372.db2.gz OYGJQLSDAJTYRS-OWCLPIDISA-N 2 0 356.511 0.162 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409216 855200147 /nfs/dbraw/zinc/20/01/47/855200147.db2.gz CQOVYXISXAKIPD-OWCLPIDISA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216406125 855200214 /nfs/dbraw/zinc/20/02/14/855200214.db2.gz ZSQLTGUBBRVEQE-VXGBXAGGSA-N 2 0 362.396 0.197 20 0 FCADRP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409229 855200495 /nfs/dbraw/zinc/20/04/95/855200495.db2.gz DCOODDJOZAWKLT-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001216459441 855204819 /nfs/dbraw/zinc/20/48/19/855204819.db2.gz WJGXZTCFPUHGPB-HUUCEWRRSA-N 2 0 352.479 0.304 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001216490782 855206808 /nfs/dbraw/zinc/20/68/08/855206808.db2.gz ORPDPQGXDJNUQJ-HUUCEWRRSA-N 2 0 352.479 0.304 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001216494483 855206856 /nfs/dbraw/zinc/20/68/56/855206856.db2.gz JUJPHQNVLSBONB-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001216511629 855209040 /nfs/dbraw/zinc/20/90/40/855209040.db2.gz XWCAUYHCMRXEJM-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216511538 855209646 /nfs/dbraw/zinc/20/96/46/855209646.db2.gz SNRTWRHYJJWMAA-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001216757507 855232864 /nfs/dbraw/zinc/23/28/64/855232864.db2.gz ASZLSKBXZJDKLO-HZSPNIEDSA-N 2 0 367.412 0.459 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216754371 855232919 /nfs/dbraw/zinc/23/29/19/855232919.db2.gz REEIWNOUZDYONH-RBSFLKMASA-N 2 0 353.511 0.472 20 0 FCADRP C[NH2+][C@H]1CC[C@H](Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c2=O)CC1 ZINC001218188237 855405418 /nfs/dbraw/zinc/40/54/18/855405418.db2.gz SIIPZNQPWOCYRH-XYPYZODXSA-N 2 0 352.435 0.670 20 0 FCADRP CC[N@@H+]1CCC[C@@H](Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c2=O)C1 ZINC001218346996 855416272 /nfs/dbraw/zinc/41/62/72/855416272.db2.gz FVTDMDNJNROLIM-LLVKDONJSA-N 2 0 352.435 0.624 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218476792 855429473 /nfs/dbraw/zinc/42/94/73/855429473.db2.gz UKIZKLLDANBCDZ-JTQLQIEISA-N 2 0 352.435 0.670 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)COC1(C)C ZINC001218535620 855436674 /nfs/dbraw/zinc/43/66/74/855436674.db2.gz YXSCRBNOUIVNCT-NGZCFLSTSA-N 2 0 367.475 0.208 20 0 FCADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218556373 855438555 /nfs/dbraw/zinc/43/85/55/855438555.db2.gz ZUBRPNOYUUSWRG-VIFPVBQESA-N 2 0 371.463 0.416 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@H]32)CC1 ZINC001218550869 855438829 /nfs/dbraw/zinc/43/88/29/855438829.db2.gz QYBCYGHEEGMYPG-YESZJQIVSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575340 855442878 /nfs/dbraw/zinc/44/28/78/855442878.db2.gz FMXOPIYCGDJEQB-AWEZNQCLSA-N 2 0 350.467 0.747 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218600998 855447324 /nfs/dbraw/zinc/44/73/24/855447324.db2.gz WVTVHJUKRZAONQ-IXDOHACOSA-N 2 0 355.479 0.045 20 0 FCADRP Nc1ncc(Br)nc1N(CC1CC1)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218635180 855454858 /nfs/dbraw/zinc/45/48/58/855454858.db2.gz KLUSHMQJLQZABP-SECBINFHSA-N 2 0 357.256 0.631 20 0 FCADRP Nc1cnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(I)c1 ZINC001218678636 855463653 /nfs/dbraw/zinc/46/36/53/855463653.db2.gz AMHVHVXIXUDHLL-MRVPVSSYSA-N 2 0 373.198 0.016 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218698671 855466384 /nfs/dbraw/zinc/46/63/84/855466384.db2.gz KNQLCGZMEIKVDY-OAHLLOKOSA-N 2 0 353.854 0.837 20 0 FCADRP COC(=O)c1cc(Br)cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218734396 855472573 /nfs/dbraw/zinc/47/25/73/855472573.db2.gz URQNXAVTMITGHW-SECBINFHSA-N 2 0 369.219 0.378 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826664 855484135 /nfs/dbraw/zinc/48/41/35/855484135.db2.gz WIKFCASLTPAYEE-FGTMMUONSA-N 2 0 353.507 0.791 20 0 FCADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001218873420 855489071 /nfs/dbraw/zinc/48/90/71/855489071.db2.gz IIJOTVUMPGOKKO-IAGOWNOFSA-N 2 0 350.438 0.687 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CCC1(F)F ZINC001218880412 855490497 /nfs/dbraw/zinc/49/04/97/855490497.db2.gz XCEBOQULFWBHIB-CYBMUJFWSA-N 2 0 352.385 0.915 20 0 FCADRP COC(=O)c1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc2c1OC[C@@H]1C[C@H]21 ZINC001219217084 855586408 /nfs/dbraw/zinc/58/64/08/855586408.db2.gz DWDFPZCBEGNBNW-DLOVCJGASA-N 2 0 365.455 0.927 20 0 FCADRP O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219268220 855610331 /nfs/dbraw/zinc/61/03/31/855610331.db2.gz CCOIQVHCDHCNIE-LLVKDONJSA-N 2 0 363.361 0.728 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1O ZINC001219275904 855613913 /nfs/dbraw/zinc/61/39/13/855613913.db2.gz CYJMNMPECLJCNM-NSHDSACASA-N 2 0 362.352 0.980 20 0 FCADRP COC(=O)c1nn(C)c2ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc21 ZINC001219367637 855647450 /nfs/dbraw/zinc/64/74/50/855647450.db2.gz VEQPSYCWLPWOLT-NSHDSACASA-N 2 0 351.432 0.318 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)C[C@H](O)C[NH3+] ZINC001219489809 855691049 /nfs/dbraw/zinc/69/10/49/855691049.db2.gz WAYYUJLNUCLJAZ-HNNXBMFYSA-N 2 0 350.463 0.874 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619774 855738342 /nfs/dbraw/zinc/73/83/42/855738342.db2.gz PPVNHDGYFBOBJB-JLJPHGGASA-N 2 0 368.840 0.870 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)c2ccsc2)C1 ZINC001219736813 855792635 /nfs/dbraw/zinc/79/26/35/855792635.db2.gz IGLSRAYIFPDQMA-BZUAXINKSA-N 2 0 364.515 0.707 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219743740 855795054 /nfs/dbraw/zinc/79/50/54/855795054.db2.gz KVYQVFVOHBAXDH-YESZJQIVSA-N 2 0 350.507 0.620 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748788 855797975 /nfs/dbraw/zinc/79/79/75/855797975.db2.gz BZFTVICJEOLVOS-ZDUSSCGKSA-N 2 0 350.373 0.236 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)Cc1ccc(F)c(F)c1 ZINC001219765078 855802885 /nfs/dbraw/zinc/80/28/85/855802885.db2.gz UFRNRTARQKRDDT-ILXRZTDVSA-N 2 0 352.429 0.635 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796855 855817412 /nfs/dbraw/zinc/81/74/12/855817412.db2.gz TXABHUNFLHSWEG-KSZLIROESA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001219796017 855817506 /nfs/dbraw/zinc/81/75/06/855817506.db2.gz IZGDMBCTRIYAEM-SJORKVTESA-N 3 0 352.523 0.865 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796696 855817563 /nfs/dbraw/zinc/81/75/63/855817563.db2.gz MROCUGQQDHJBSK-KURKYZTESA-N 2 0 353.507 0.981 20 0 FCADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001219800010 855819255 /nfs/dbraw/zinc/81/92/55/855819255.db2.gz GJALUMKMDVLLOR-HUUCEWRRSA-N 2 0 353.463 0.132 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805695 855824395 /nfs/dbraw/zinc/82/43/95/855824395.db2.gz PPCOLRMOTGFOBM-RDBSUJKOSA-N 2 0 367.412 0.457 20 0 FCADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219823504 855832032 /nfs/dbraw/zinc/83/20/32/855832032.db2.gz QUSRFQFDRGKNGT-QWHCGFSZSA-N 2 0 369.512 0.423 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)COC1(C)C ZINC001219825243 855832904 /nfs/dbraw/zinc/83/29/04/855832904.db2.gz FWDUVNAKPKPHHB-WCQGTBRESA-N 2 0 352.460 0.319 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c2ccsc2)C1 ZINC001219831406 855836295 /nfs/dbraw/zinc/83/62/95/855836295.db2.gz JSIYYZOYUSJCTI-MTSZKFMLSA-N 2 0 364.515 0.705 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c2ccsc2)C1 ZINC001219847563 855843888 /nfs/dbraw/zinc/84/38/88/855843888.db2.gz KVXJLIILANKMTL-DRRXZNNHSA-N 2 0 364.515 0.848 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919757 855878768 /nfs/dbraw/zinc/87/87/68/855878768.db2.gz MARJCVLYWRLVST-SJORKVTESA-N 2 0 350.463 0.496 20 0 FCADRP Cc1nn(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(C)c1Br ZINC001219997450 855911217 /nfs/dbraw/zinc/91/12/17/855911217.db2.gz XFUCRJJSGZNEIS-CYBMUJFWSA-N 2 0 358.284 0.706 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCC([NH3+])CC1 ZINC001220039350 855929708 /nfs/dbraw/zinc/92/97/08/855929708.db2.gz AZMWRRPRTWOSAO-BGMSHATGSA-N 3 0 360.524 0.104 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001220119196 855969605 /nfs/dbraw/zinc/96/96/05/855969605.db2.gz FBMKYPRSSCYWGU-IXDOHACOSA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220161221 855988588 /nfs/dbraw/zinc/98/85/88/855988588.db2.gz AMNKZTYFNKFFSQ-HLLBOEOZSA-N 2 0 369.531 0.439 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220226882 856021379 /nfs/dbraw/zinc/02/13/79/856021379.db2.gz CPSIYIHTAOKBTJ-OLZOCXBDSA-N 2 0 367.412 0.459 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001220230696 856023768 /nfs/dbraw/zinc/02/37/68/856023768.db2.gz OQRQCNWHUVQVKD-IXDOHACOSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269269 856037816 /nfs/dbraw/zinc/03/78/16/856037816.db2.gz UUBWUEDSFRBAND-KGLIPLIRSA-N 2 0 367.412 0.459 20 0 FCADRP CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220294166 856049864 /nfs/dbraw/zinc/04/98/64/856049864.db2.gz JBBHXQSQLTVHKB-GJZGRUSLSA-N 2 0 351.447 0.827 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)CC1 ZINC001220303828 856054404 /nfs/dbraw/zinc/05/44/04/856054404.db2.gz FNQOMQAFMKRTAQ-HNNXBMFYSA-N 2 0 356.511 0.579 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1cnn(C)c1 ZINC001220308189 856056585 /nfs/dbraw/zinc/05/65/85/856056585.db2.gz GFIBVTDRBQJJBX-SNPRPXQTSA-N 2 0 350.467 0.045 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315512 856061499 /nfs/dbraw/zinc/06/14/99/856061499.db2.gz DRDUJMVQMZICGO-SUNYJGFJSA-N 2 0 355.479 0.853 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001220429745 856120387 /nfs/dbraw/zinc/12/03/87/856120387.db2.gz YODPYGGSHOJXIU-KFWWJZLASA-N 2 0 368.275 0.857 20 0 FCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501766 856156667 /nfs/dbraw/zinc/15/66/67/856156667.db2.gz UDDUJHOGRXILQB-LSDHHAIUSA-N 2 0 351.472 0.217 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607897 856204052 /nfs/dbraw/zinc/20/40/52/856204052.db2.gz PLVZWIIVCTZGKK-NEPJUHHUSA-N 2 0 372.267 0.341 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccc(Br)cc1 ZINC001220607284 856204578 /nfs/dbraw/zinc/20/45/78/856204578.db2.gz JGCTUBUKPGQBSW-WHOFXGATSA-N 2 0 354.248 0.801 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611419 856206731 /nfs/dbraw/zinc/20/67/31/856206731.db2.gz XFGWKKZHTMMKOI-JOOBJXAISA-N 2 0 362.293 0.661 20 0 FCADRP CC(C)C[C@H](C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643003 856216981 /nfs/dbraw/zinc/21/69/81/856216981.db2.gz PTVKEXVEIKTSQV-JQHSSLGASA-N 2 0 355.523 0.941 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220740739 856274008 /nfs/dbraw/zinc/27/40/08/856274008.db2.gz PXQIOKVQAZOVMU-BBWFWOEESA-N 2 0 359.511 0.057 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755427 856281790 /nfs/dbraw/zinc/28/17/90/856281790.db2.gz OJRSIYAHVJVUIT-MJBXVCDLSA-N 2 0 367.412 0.459 20 0 FCADRP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220799827 856307165 /nfs/dbraw/zinc/30/71/65/856307165.db2.gz HKHDZLNHYLASCK-CABCVRRESA-N 2 0 365.861 0.739 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001220825704 856325619 /nfs/dbraw/zinc/32/56/19/856325619.db2.gz BZXDGRNJQWDYCP-SJORKVTESA-N 2 0 351.495 0.393 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220870200 856349729 /nfs/dbraw/zinc/34/97/29/856349729.db2.gz IXIDKORBJQNMKG-NSHDSACASA-N 2 0 353.224 0.043 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930307 856379697 /nfs/dbraw/zinc/37/96/97/856379697.db2.gz NJBVFQOKEFYIJZ-UMVBOHGHSA-N 2 0 355.479 0.933 20 0 FCADRP COCCC1(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCS(=O)(=O)CC1 ZINC001221025953 856429758 /nfs/dbraw/zinc/42/97/58/856429758.db2.gz NQNDVFPVEAHNHU-AWEZNQCLSA-N 2 0 363.524 0.146 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221073310 856449664 /nfs/dbraw/zinc/44/96/64/856449664.db2.gz PQURVNZURLOVTH-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081408 856452790 /nfs/dbraw/zinc/45/27/90/856452790.db2.gz JXXOPCZXPGBRTD-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148633 856484864 /nfs/dbraw/zinc/48/48/64/856484864.db2.gz IZWNKULBABEOFS-XJKSGUPXSA-N 2 0 366.487 0.321 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001221154317 856487269 /nfs/dbraw/zinc/48/72/69/856487269.db2.gz LGPOJQHNSLUEJB-KSZLIROESA-N 2 0 353.507 0.840 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)[C@@H]2C1 ZINC001279269101 862803483 /nfs/dbraw/zinc/80/34/83/862803483.db2.gz JXQXRUBAXOFZFA-QBPKDAKJSA-N 2 0 351.491 0.775 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)CNC1CC[NH2+]CC1)c1ccccc1 ZINC001221271384 856534848 /nfs/dbraw/zinc/53/48/48/856534848.db2.gz BZHGFUWHTFOAIK-UHFFFAOYSA-N 2 0 364.474 0.991 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](C)C1 ZINC001221407679 856559405 /nfs/dbraw/zinc/55/94/05/856559405.db2.gz DUIPUIPJDIJATA-KKUMJFAQSA-N 2 0 356.511 0.480 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221615617 856625108 /nfs/dbraw/zinc/62/51/08/856625108.db2.gz QGEJFSITADRGJW-KZNAEPCWSA-N 2 0 353.507 0.506 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001221637370 856633196 /nfs/dbraw/zinc/63/31/96/856633196.db2.gz FPDGUYHMHMRZRA-OAGGEKHMSA-N 2 0 351.495 0.275 20 0 FCADRP CN(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)OC(C)(C)C ZINC001221795816 856687209 /nfs/dbraw/zinc/68/72/09/856687209.db2.gz MHFOCOJJBKQKKW-UHFFFAOYSA-N 2 0 359.515 0.988 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)C(C)C ZINC001221877867 856719804 /nfs/dbraw/zinc/71/98/04/856719804.db2.gz NBIXDNABDSLZLP-KZNAEPCWSA-N 2 0 355.523 0.894 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221879690 856721378 /nfs/dbraw/zinc/72/13/78/856721378.db2.gz OCHLDACHFYJOIB-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889893 856724400 /nfs/dbraw/zinc/72/44/00/856724400.db2.gz UHUXFMRFUXLHFT-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895121 856726096 /nfs/dbraw/zinc/72/60/96/856726096.db2.gz WMOXSTWEGSVUNP-LZLYRXPVSA-N 2 0 353.507 0.791 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001221950408 856746013 /nfs/dbraw/zinc/74/60/13/856746013.db2.gz GFSPSRGKVHRJBA-KFWWJZLASA-N 2 0 361.433 0.522 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054259 856787693 /nfs/dbraw/zinc/78/76/93/856787693.db2.gz JEDZUFGRRHBRGP-KZNAEPCWSA-N 2 0 355.523 0.893 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707268 856867115 /nfs/dbraw/zinc/86/71/15/856867115.db2.gz BRFKNOOIBPPYLN-TVFCKZIOSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222809437 856874123 /nfs/dbraw/zinc/87/41/23/856874123.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 2 0 353.507 0.793 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001224233072 856970489 /nfs/dbraw/zinc/97/04/89/856970489.db2.gz HUPUISAWBUMUQL-SQNIBIBYSA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCCC3=O)[C@H]2C1 ZINC001224232666 856970851 /nfs/dbraw/zinc/97/08/51/856970851.db2.gz BBCSSZNRZYZSTN-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225345555 857036487 /nfs/dbraw/zinc/03/64/87/857036487.db2.gz AAHGNHVVPVSUCE-ZACQAIPSSA-N 2 0 354.495 0.250 20 0 FCADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226296566 857096517 /nfs/dbraw/zinc/09/65/17/857096517.db2.gz KZVOTVVKBWZIOM-GVDBMIGSSA-N 2 0 371.547 0.780 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297100 857096575 /nfs/dbraw/zinc/09/65/75/857096575.db2.gz PHIHJXFSFRFDIA-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001226553940 857108907 /nfs/dbraw/zinc/10/89/07/857108907.db2.gz IVCMUVFPYZNYGX-ARFHVFGLSA-N 2 0 354.474 0.975 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC)[NH+](C)C ZINC001227056175 857138519 /nfs/dbraw/zinc/13/85/19/857138519.db2.gz ABKRUTAOYLDZTB-RBSFLKMASA-N 2 0 362.540 0.283 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227704016 857170813 /nfs/dbraw/zinc/17/08/13/857170813.db2.gz QPUIRHYGWITDCE-KURKYZTESA-N 2 0 353.507 0.887 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001228215200 857197515 /nfs/dbraw/zinc/19/75/15/857197515.db2.gz BNZGOARZEMERDW-HZPDHXFCSA-N 2 0 350.507 0.966 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228261203 857199148 /nfs/dbraw/zinc/19/91/48/857199148.db2.gz IDUYJWIJTJSPGG-GVDBMIGSSA-N 2 0 359.511 0.369 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001228593421 857217574 /nfs/dbraw/zinc/21/75/74/857217574.db2.gz BXQLLUHDBJXRKD-BZUAXINKSA-N 2 0 359.536 0.922 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710726 857283669 /nfs/dbraw/zinc/28/36/69/857283669.db2.gz SEEVVJQCRZXYHI-HZPDHXFCSA-N 2 0 356.511 0.448 20 0 FCADRP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)nn1 ZINC001229715998 857283851 /nfs/dbraw/zinc/28/38/51/857283851.db2.gz FMVPKQBRSPPPJP-HZPDHXFCSA-N 2 0 352.483 0.393 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)c1nncn1C ZINC001229717810 857284155 /nfs/dbraw/zinc/28/41/55/857284155.db2.gz YFJUOZUWFTUUNA-RRFJBIMHSA-N 2 0 352.483 0.471 20 0 FCADRP CCCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(N)=O ZINC001229717269 857284539 /nfs/dbraw/zinc/28/45/39/857284539.db2.gz PIBCFIUZEHQLCH-BZUAXINKSA-N 2 0 356.511 0.626 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138021 857305830 /nfs/dbraw/zinc/30/58/30/857305830.db2.gz CFGALLJJNXVTMD-ARFHVFGLSA-N 2 0 354.495 0.108 20 0 FCADRP COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231706473 857363350 /nfs/dbraw/zinc/36/33/50/857363350.db2.gz LLNVOLZAQAHNRP-LBPRGKRZSA-N 2 0 350.419 0.737 20 0 FCADRP Cn1cc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770208 857366464 /nfs/dbraw/zinc/36/64/64/857366464.db2.gz RUKYLCSFBIQTJH-KBPBESRZSA-N 2 0 360.483 0.709 20 0 FCADRP COc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC001233303175 857380753 /nfs/dbraw/zinc/38/07/53/857380753.db2.gz OSXLHEQIDHIDPK-UHFFFAOYSA-N 2 0 358.508 0.268 20 0 FCADRP CC1(C)[NH2+][C@@H](CCN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CO1 ZINC001235204011 857419864 /nfs/dbraw/zinc/41/98/64/857419864.db2.gz BKOWNUPHPAJFNQ-HNNXBMFYSA-N 2 0 351.495 0.575 20 0 FCADRP O=c1[nH]cc(Br)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869350 857432909 /nfs/dbraw/zinc/43/29/09/857432909.db2.gz CXAYXCDOXCYWBS-UHFFFAOYSA-N 2 0 358.284 0.134 20 0 FCADRP COc1cc(OC)c(OC)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871608 857433418 /nfs/dbraw/zinc/43/34/18/857433418.db2.gz VGCFLJQBNBDSPK-UHFFFAOYSA-N 2 0 352.479 0.297 20 0 FCADRP COc1ncc(Br)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870865 857433660 /nfs/dbraw/zinc/43/36/60/857433660.db2.gz LQCYDEHWJNTDTP-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1OC ZINC001235869988 857433775 /nfs/dbraw/zinc/43/37/75/857433775.db2.gz LTSFHKVZVIWMNT-UHFFFAOYSA-N 2 0 352.479 0.297 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1C ZINC001236308648 857437736 /nfs/dbraw/zinc/43/77/36/857437736.db2.gz GOYZUEXPVCDNGV-UHFFFAOYSA-N 2 0 352.479 0.628 20 0 FCADRP CCOc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1OC ZINC001236309490 857438244 /nfs/dbraw/zinc/43/82/44/857438244.db2.gz LSKWKJNEWXXQSF-UHFFFAOYSA-N 2 0 352.479 0.710 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cncc(Br)c1 ZINC001236308065 857438270 /nfs/dbraw/zinc/43/82/70/857438270.db2.gz GCTSBODJVGSXPQ-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP CCOC(=O)c1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310840 857439026 /nfs/dbraw/zinc/43/90/26/857439026.db2.gz CMFASYCCYWEWIT-UHFFFAOYSA-N 2 0 350.463 0.479 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(F)c1OC ZINC001236310326 857439050 /nfs/dbraw/zinc/43/90/50/857439050.db2.gz XBPLESFAADZEKZ-UHFFFAOYSA-N 2 0 356.442 0.459 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(OC(F)F)c(O)c1 ZINC001236310573 857439096 /nfs/dbraw/zinc/43/90/96/857439096.db2.gz HKANAFNXWSVQHX-UHFFFAOYSA-N 2 0 360.405 0.609 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2cccc(Cl)n12 ZINC001236312645 857439862 /nfs/dbraw/zinc/43/98/62/857439862.db2.gz WKIIRFJJJRATMV-UHFFFAOYSA-N 2 0 352.870 0.604 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(O)c1OC ZINC001236311796 857439877 /nfs/dbraw/zinc/43/98/77/857439877.db2.gz VUYPUMZUSJCBCF-UHFFFAOYSA-N 2 0 354.451 0.025 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(F)cc2c1OCCC2 ZINC001236312656 857439914 /nfs/dbraw/zinc/43/99/14/857439914.db2.gz YUYXKHOIEGNBJH-UHFFFAOYSA-N 2 0 352.454 0.767 20 0 FCADRP O=C(c1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC001237631089 857456207 /nfs/dbraw/zinc/45/62/07/857456207.db2.gz WPLCRSMTJHTBTF-UHFFFAOYSA-N 2 0 366.487 0.473 20 0 FCADRP O=C1Cc2cc(S(=O)(=O)NC[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccc2N1 ZINC001238240364 857464960 /nfs/dbraw/zinc/46/49/60/857464960.db2.gz HQBOJBXPYKZSHW-ZDUSSCGKSA-N 2 0 364.471 0.334 20 0 FCADRP COc1ccc(F)cc1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238241881 857465223 /nfs/dbraw/zinc/46/52/23/857465223.db2.gz MPCXIKMQKXDFHY-CYBMUJFWSA-N 2 0 357.451 0.987 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc2nsnc21 ZINC001238239152 857465336 /nfs/dbraw/zinc/46/53/36/857465336.db2.gz CBEGLHYKQWOACQ-LLVKDONJSA-N 2 0 367.500 0.844 20 0 FCADRP COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1F ZINC001238243960 857466159 /nfs/dbraw/zinc/46/61/59/857466159.db2.gz XBCLWCJNTCUATH-LBPRGKRZSA-N 2 0 357.451 0.987 20 0 FCADRP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502429 862919307 /nfs/dbraw/zinc/91/93/07/862919307.db2.gz QRKBWVCOGHQYHO-IEBWSBKVSA-N 2 0 352.523 0.583 20 0 FCADRP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502434 862919854 /nfs/dbraw/zinc/91/98/54/862919854.db2.gz QRKBWVCOGHQYHO-PKOBYXMFSA-N 2 0 352.523 0.583 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)/C=C/c1ccccc1 ZINC001239130809 857518039 /nfs/dbraw/zinc/51/80/39/857518039.db2.gz GEDUWRZXYJTMTP-MDWZMJQESA-N 2 0 354.476 0.103 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCCC3(CN(S(=O)(=O)N(C)C)C3)C2)CC1 ZINC001279502880 862921081 /nfs/dbraw/zinc/92/10/81/862921081.db2.gz ZFCADQHORCLMSK-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP Cc1ccc(CNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239449798 857529132 /nfs/dbraw/zinc/52/91/32/857529132.db2.gz BJYIRJYZGLDULK-UHFFFAOYSA-N 2 0 351.520 0.485 20 0 FCADRP [NH3+]C[C@@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001246000913 857563491 /nfs/dbraw/zinc/56/34/91/857563491.db2.gz MNYOOLXGNOEZGB-HUUCEWRRSA-N 2 0 372.307 0.904 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001245983774 857563565 /nfs/dbraw/zinc/56/35/65/857563565.db2.gz MPJDVFZDNNNYFG-IXDOHACOSA-N 3 0 355.429 0.696 20 0 FCADRP CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246012541 857564886 /nfs/dbraw/zinc/56/48/86/857564886.db2.gz AKGIFZYAYALDGC-GJZGRUSLSA-N 2 0 359.511 0.281 20 0 FCADRP COC(=O)C[C@H]1C[NH2+]CCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246042497 857566159 /nfs/dbraw/zinc/56/61/59/857566159.db2.gz CAPVGCFUALUODL-HRCADAONSA-N 2 0 357.401 0.032 20 0 FCADRP COCCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC001246043951 857566170 /nfs/dbraw/zinc/56/61/70/857566170.db2.gz DMDFEJPHLAJPQM-ZWKOTPCHSA-N 2 0 357.445 0.896 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246051402 857566850 /nfs/dbraw/zinc/56/68/50/857566850.db2.gz GGLPCBDWTVBIJY-IPOQPSJVSA-N 2 0 357.401 0.018 20 0 FCADRP CCCC[C@H](CC)COC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055941 857567055 /nfs/dbraw/zinc/56/70/55/857567055.db2.gz MYFQAELZRANBNU-OALUTQOASA-N 2 0 358.571 0.665 20 0 FCADRP CCCOC[C@H](O)C[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001246063462 857567167 /nfs/dbraw/zinc/56/71/67/857567167.db2.gz OJXYVHDCOJPVNF-LJQANCHMSA-N 2 0 357.539 0.798 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)O2)CN1)N1CCSC1 ZINC001246133632 857569490 /nfs/dbraw/zinc/56/94/90/857569490.db2.gz KUNYZOWSJSHLRW-ZNMIVQPWSA-N 2 0 354.520 0.141 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246199061 857570215 /nfs/dbraw/zinc/57/02/15/857570215.db2.gz HNUKAJQKPDYZLX-GRIHLZJISA-N 2 0 353.463 0.189 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246259122 857572689 /nfs/dbraw/zinc/57/26/89/857572689.db2.gz ZGDRTCMEUNUWOF-ZNMIVQPWSA-N 2 0 354.520 0.141 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC001246274902 857572873 /nfs/dbraw/zinc/57/28/73/857572873.db2.gz BYERELGNXFXMED-SJORKVTESA-N 2 0 366.531 0.723 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]CCNCC[NH3+])CC2=O)c(OC)c1 ZINC001246405389 857576057 /nfs/dbraw/zinc/57/60/57/857576057.db2.gz ODYBNLRWGOEVEV-HNNXBMFYSA-N 2 0 350.463 0.333 20 0 FCADRP O=S1(=O)CCC(Cc2ccccn2)([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246447165 857579409 /nfs/dbraw/zinc/57/94/09/857579409.db2.gz PIYBJEOPVPMTQX-MRXNPFEDSA-N 2 0 364.515 0.255 20 0 FCADRP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1)C1CCOCC1 ZINC001246444519 857579470 /nfs/dbraw/zinc/57/94/70/857579470.db2.gz BWBVIMIHSJCBTC-ULQDDVLXSA-N 2 0 350.507 0.524 20 0 FCADRP CC(C)(C)OC(=O)CCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246465672 857581119 /nfs/dbraw/zinc/58/11/19/857581119.db2.gz IKAHRPWZSGLCDT-OAHLLOKOSA-N 2 0 357.495 0.435 20 0 FCADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CO1 ZINC001246518742 857583480 /nfs/dbraw/zinc/58/34/80/857583480.db2.gz ISCMXEDSFLWDOV-OWCLPIDISA-N 2 0 355.479 0.807 20 0 FCADRP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604007 857585560 /nfs/dbraw/zinc/58/55/60/857585560.db2.gz PYLLODOUQMOZOO-SOUVJXGZSA-N 2 0 353.463 0.287 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1C[NH2+]CCC2 ZINC001246599129 857586412 /nfs/dbraw/zinc/58/64/12/857586412.db2.gz ATXDEDMYQNHCIK-KRXQYRFLSA-N 2 0 353.463 0.145 20 0 FCADRP C1[NH2+]CC12C[C@@H]([NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CS2 ZINC001246670027 857589531 /nfs/dbraw/zinc/58/95/31/857589531.db2.gz UOUQPLYDRWTTOY-CQSZACIVSA-N 3 0 351.520 0.308 20 0 FCADRP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737609 857595038 /nfs/dbraw/zinc/59/50/38/857595038.db2.gz DWJKOECDNUMXBH-TZNCUMHOSA-N 2 0 351.491 0.570 20 0 FCADRP COCCN1CC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)[C@H](COC)C1=O ZINC001246747705 857597071 /nfs/dbraw/zinc/59/70/71/857597071.db2.gz MNMQSJANOJUXIP-GVDBMIGSSA-N 2 0 353.507 0.960 20 0 FCADRP COCCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246805808 857600687 /nfs/dbraw/zinc/60/06/87/857600687.db2.gz DUIKMTHVNBGVNG-OAGGEKHMSA-N 2 0 356.536 0.340 20 0 FCADRP CCOC(=O)N1CCC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924719 857605332 /nfs/dbraw/zinc/60/53/32/857605332.db2.gz JEWXTLOXHPTGGD-OAHLLOKOSA-N 2 0 357.499 0.113 20 0 FCADRP O=C([C@@H]1C[C@@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246967066 857607939 /nfs/dbraw/zinc/60/79/39/857607939.db2.gz SUMHWRXLWDZFOX-ZACQAIPSSA-N 2 0 361.515 0.509 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CN1 ZINC001246985900 857608744 /nfs/dbraw/zinc/60/87/44/857608744.db2.gz AQWUJSKHTKUVLZ-HKUYNNGSSA-N 2 0 352.523 0.818 20 0 FCADRP CCOC(=O)[C@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)CCC12C[NH2+]C2 ZINC001247009505 857609039 /nfs/dbraw/zinc/60/90/39/857609039.db2.gz QVQNMGAJXOSZDO-KOHRHEQBSA-N 3 0 351.491 0.762 20 0 FCADRP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001249836714 857652423 /nfs/dbraw/zinc/65/24/23/857652423.db2.gz AJJZEKZRYMRNGW-CQSZACIVSA-N 2 0 356.536 0.772 20 0 FCADRP C[NH+]1CCN(CC[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001250948408 857670625 /nfs/dbraw/zinc/67/06/25/857670625.db2.gz QCTQMUJMGFMJFY-UHFFFAOYSA-N 2 0 356.511 0.585 20 0 FCADRP C[NH+](C)CCCN1CC[NH+](C[C@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251578901 857732157 /nfs/dbraw/zinc/73/21/57/857732157.db2.gz DWCUAEXOEMZFDZ-ZDUSSCGKSA-N 2 0 359.408 0.834 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001253192399 857871537 /nfs/dbraw/zinc/87/15/37/857871537.db2.gz PRVOGKIIZKUWKA-INIZCTEOSA-N 2 0 361.552 0.827 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001253398783 857885770 /nfs/dbraw/zinc/88/57/70/857885770.db2.gz ZYBDBKUYZVVESQ-OAHLLOKOSA-N 2 0 361.552 0.873 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678696 857903335 /nfs/dbraw/zinc/90/33/35/857903335.db2.gz NUOXGZVJVMSEMP-BZUAXINKSA-N 2 0 358.479 0.358 20 0 FCADRP O=S(=O)(N[C@@H]1CC2CC[NH+](CC2)C1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001254856894 857988868 /nfs/dbraw/zinc/98/88/68/857988868.db2.gz WWFVMDTUGKNTHO-MRXNPFEDSA-N 2 0 364.515 0.859 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255052617 857997517 /nfs/dbraw/zinc/99/75/17/857997517.db2.gz QWCSTEJHVBOKKZ-RLAWYHOSSA-N 2 0 357.451 0.491 20 0 FCADRP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279609092 862976558 /nfs/dbraw/zinc/97/65/58/862976558.db2.gz GVVCICNWVDUJTD-LJQANCHMSA-N 2 0 352.523 0.583 20 0 FCADRP C[NH+]1CCC(C[N@H+]2C[C@H]3CN(C(=O)NCC(F)(F)F)C[C@@H](C2)O3)CC1 ZINC001279609386 862977648 /nfs/dbraw/zinc/97/76/48/862977648.db2.gz QRPUCTLZYFYOBI-OKILXGFUSA-N 2 0 364.412 0.985 20 0 FCADRP C[C@@H](CC(=O)N1CCOCC1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001256350086 858072468 /nfs/dbraw/zinc/07/24/68/858072468.db2.gz RHGZQMXGSAHOAT-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP O=C1C=CC(=O)N1CCOCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256681670 858095487 /nfs/dbraw/zinc/09/54/87/858095487.db2.gz YVCXJCNPSWPBPZ-UHFFFAOYSA-N 2 0 351.447 0.161 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001256792903 858098776 /nfs/dbraw/zinc/09/87/76/858098776.db2.gz VMHUYUKUQBAVOH-DLBZAZTESA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001257110588 858119731 /nfs/dbraw/zinc/11/97/31/858119731.db2.gz NEUCRPOAPIGBPQ-VBQJREDUSA-N 2 0 356.536 0.529 20 0 FCADRP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O)cc1 ZINC001257153894 858121994 /nfs/dbraw/zinc/12/19/94/858121994.db2.gz MJWVPGXKIBKYNO-CYBMUJFWSA-N 2 0 353.423 0.932 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3CCN2CCOCC2)CC1 ZINC001279772773 863054263 /nfs/dbraw/zinc/05/42/63/863054263.db2.gz RVSZQIYKUKSXEM-QFBILLFUSA-N 2 0 350.507 0.336 20 0 FCADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046813 858765893 /nfs/dbraw/zinc/76/58/93/858765893.db2.gz ZEZZYAQWMYRVHC-ZWKOTPCHSA-N 2 0 352.523 0.807 20 0 FCADRP COCCC1(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC001262091756 858777585 /nfs/dbraw/zinc/77/75/85/858777585.db2.gz UJDNZKIJDYPWDM-IYBDPMFKSA-N 2 0 356.511 0.944 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001262184168 858809812 /nfs/dbraw/zinc/80/98/12/858809812.db2.gz XLCGHXUYEXBUDW-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]CCC12CCOCC2 ZINC001262556855 858999094 /nfs/dbraw/zinc/99/90/94/858999094.db2.gz DUBFENXKHYWLOY-IKGGRYGDSA-N 2 0 351.491 0.905 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1=O ZINC001262574515 859004288 /nfs/dbraw/zinc/00/42/88/859004288.db2.gz UNWWVGQLZLCHKI-RHSMWYFYSA-N 2 0 353.438 0.628 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001263103724 859103091 /nfs/dbraw/zinc/10/30/91/859103091.db2.gz JSYNFHAHZAACER-GVDBMIGSSA-N 2 0 350.507 0.966 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001263183025 859118893 /nfs/dbraw/zinc/11/88/93/859118893.db2.gz GFLAPQNFWHLNSG-HOTGVXAUSA-N 2 0 358.552 0.370 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094556 859309240 /nfs/dbraw/zinc/30/92/40/859309240.db2.gz LOGRPKOAXSFXPL-XHSDSOJGSA-N 2 0 350.507 0.585 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001264645570 859410659 /nfs/dbraw/zinc/41/06/59/859410659.db2.gz OCIOIKHGNZWMSJ-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264653224 859415478 /nfs/dbraw/zinc/41/54/78/859415478.db2.gz OSDNBGMOBUYPSB-FGTMMUONSA-N 2 0 353.507 0.506 20 0 FCADRP CCCC[C@H](CC)C[N@@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]21 ZINC001269992769 859624915 /nfs/dbraw/zinc/62/49/15/859624915.db2.gz YBFCPVUZGMKKHZ-XHSDSOJGSA-N 2 0 353.511 0.940 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001270062057 859639263 /nfs/dbraw/zinc/63/92/63/859639263.db2.gz WALPFQJECUZAAQ-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC001270490660 859771268 /nfs/dbraw/zinc/77/12/68/859771268.db2.gz PSPIDCKZDOBGKZ-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1=O ZINC001272820167 860270613 /nfs/dbraw/zinc/27/06/13/860270613.db2.gz FAPSKIIHXMPHED-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)CC[NH+]3CCCC3)C2)C1 ZINC001273122382 860382318 /nfs/dbraw/zinc/38/23/18/860382318.db2.gz ZHPMARJSYCXHJQ-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273316938 860447926 /nfs/dbraw/zinc/44/79/26/860447926.db2.gz SVJMPFXBVOOVGT-GJYPPUQNSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001273334071 860456814 /nfs/dbraw/zinc/45/68/14/860456814.db2.gz SCLDZJSDHJQPIR-HDICACEKSA-N 2 0 352.523 0.582 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001273789279 860601147 /nfs/dbraw/zinc/60/11/47/860601147.db2.gz PBVWENYBWBSWSV-DNVCBOLYSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](C)C1)CC2 ZINC001273836634 860614064 /nfs/dbraw/zinc/61/40/64/860614064.db2.gz YCLWYIYMGZSPHJ-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](C)C1)C2 ZINC001273834947 860614457 /nfs/dbraw/zinc/61/44/57/860614457.db2.gz JHEZSBDNBAWQDW-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001274924234 860872579 /nfs/dbraw/zinc/87/25/79/860872579.db2.gz LNKOVXLJAGXHOW-KSZLIROESA-N 2 0 350.507 0.334 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)C3([NH+](C)C)CC3)C2)C1 ZINC001274953985 860880244 /nfs/dbraw/zinc/88/02/44/860880244.db2.gz WPNRQGLEZSTGLN-GOSISDBHSA-N 2 0 350.507 0.873 20 0 FCADRP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275466042 861104587 /nfs/dbraw/zinc/10/45/87/861104587.db2.gz VSDLPQWKXXDHDC-SFHVURJKSA-N 2 0 350.463 0.904 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743864 861187715 /nfs/dbraw/zinc/18/77/15/861187715.db2.gz ZLXJSAVEZPVEEC-IBGZPJMESA-N 3 0 352.523 0.583 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(Cc2ccnnc2)C3)CC1 ZINC001279858846 863101250 /nfs/dbraw/zinc/10/12/50/863101250.db2.gz ANWIHFHMTZUBHH-INIZCTEOSA-N 2 0 361.515 0.995 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026660 863199059 /nfs/dbraw/zinc/19/90/59/863199059.db2.gz WFBKWDXFMMPBMW-PNBKFKSVSA-N 2 0 351.491 0.964 20 0 FCADRP Cn1nccc1CNC(=O)[C@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137284 863286963 /nfs/dbraw/zinc/28/69/63/863286963.db2.gz IWZDIHUMKDVYKF-MRXNPFEDSA-N 2 0 363.531 0.843 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280137173 863287371 /nfs/dbraw/zinc/28/73/71/863287371.db2.gz IIJMLTWOMODEJK-QGZVFWFLSA-N 3 0 350.507 0.430 20 0 FCADRP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280176002 863307987 /nfs/dbraw/zinc/30/79/87/863307987.db2.gz HEPQWZMVMVHRQL-HZPDHXFCSA-N 2 0 354.564 0.814 20 0 FCADRP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](COCCOC)C[C@@H]12 ZINC001280176837 863308011 /nfs/dbraw/zinc/30/80/11/863308011.db2.gz NSHUYKVEFNBFES-HOTGVXAUSA-N 2 0 371.547 0.872 20 0 FCADRP Cc1ncsc1C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@H]2C1 ZINC001280188651 863317863 /nfs/dbraw/zinc/31/78/63/863317863.db2.gz IOKYXEPMYNIGTR-QEJZJMRPSA-N 2 0 364.515 0.845 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1cnc2n1CCN(CC[NH+](C)C)C2 ZINC001280221934 863347264 /nfs/dbraw/zinc/34/72/64/863347264.db2.gz WOAIHTZVSAMKIS-UHFFFAOYSA-N 2 0 350.511 0.674 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)[NH+](C)C ZINC001281988240 864021706 /nfs/dbraw/zinc/02/17/06/864021706.db2.gz LVCCQXOGMZBJFD-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCN1C ZINC001349466299 866348147 /nfs/dbraw/zinc/34/81/47/866348147.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 0 355.527 0.109 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001308762330 866720009 /nfs/dbraw/zinc/72/00/09/866720009.db2.gz BURYAUDLWUPISZ-UHFFFAOYSA-N 2 0 360.520 0.549 20 0 FCADRP O=C1N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001350908088 866727424 /nfs/dbraw/zinc/72/74/24/866727424.db2.gz AMXDCNIWMGNSMC-XQQFMLRXSA-N 2 0 350.385 0.520 20 0 FCADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001351786640 866969454 /nfs/dbraw/zinc/96/94/54/866969454.db2.gz GNCUKLCBYMIHFI-SZMVWBNQSA-N 2 0 351.539 0.994 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1=O ZINC001352034003 867018164 /nfs/dbraw/zinc/01/81/64/867018164.db2.gz CULDZOABGDJIAH-INIZCTEOSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001318722442 867735755 /nfs/dbraw/zinc/73/57/55/867735755.db2.gz NZXCVJWBDKGNME-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001318975601 867793469 /nfs/dbraw/zinc/79/34/69/867793469.db2.gz XIHSVEULNGJQEO-WBVHZDCISA-N 2 0 353.511 0.032 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cc(Cl)ccn1 ZINC001318980342 867795225 /nfs/dbraw/zinc/79/52/25/867795225.db2.gz RMEQAGOWQTUMIU-UHFFFAOYSA-N 2 0 355.870 0.417 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)n1 ZINC001319440688 867917541 /nfs/dbraw/zinc/91/75/41/867917541.db2.gz BDBKEIXHZARZMA-UONOGXRCSA-N 2 0 350.467 0.372 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001357365667 868105264 /nfs/dbraw/zinc/10/52/64/868105264.db2.gz CNYGYBGQPDATRN-GASCZTMLSA-N 2 0 352.479 0.891 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001358666591 868243570 /nfs/dbraw/zinc/24/35/70/868243570.db2.gz YWOIKRLAJDALPA-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519845 868842275 /nfs/dbraw/zinc/84/22/75/868842275.db2.gz HUBALMSRBLUZGF-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001322524017 868842943 /nfs/dbraw/zinc/84/29/43/868842943.db2.gz FCQIZNABRAPEGZ-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325714111 869996858 /nfs/dbraw/zinc/99/68/58/869996858.db2.gz WXJYVMWVBVSKED-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC001325830567 870050958 /nfs/dbraw/zinc/05/09/58/870050958.db2.gz XUQXZPFHEBJUDB-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC001325963741 870115905 /nfs/dbraw/zinc/11/59/05/870115905.db2.gz DXFNBSRTPMMZFT-OAHLLOKOSA-N 2 0 356.511 0.260 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001327053361 870638849 /nfs/dbraw/zinc/63/88/49/870638849.db2.gz CHIHBCQULLUWRI-OAHLLOKOSA-N 2 0 354.495 0.239 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)s1 ZINC001327627087 870981296 /nfs/dbraw/zinc/98/12/96/870981296.db2.gz IMOJOQJEVBFREB-UHFFFAOYSA-N 2 0 360.911 0.970 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001328324094 871363430 /nfs/dbraw/zinc/36/34/30/871363430.db2.gz MMZMCSWJTGMXJL-PMPSAXMXSA-N 2 0 358.527 0.094 20 0 FCADRP C[NH+](C)C1CCN(C(=O)Cc2noc(C[C@H]3CSCC[NH2+]3)n2)CC1 ZINC001328411809 871415950 /nfs/dbraw/zinc/41/59/50/871415950.db2.gz AMXDEFNEVSTUFM-LBPRGKRZSA-N 2 0 353.492 0.412 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC[NH2+]CC1 ZINC001346045534 871619801 /nfs/dbraw/zinc/61/98/01/871619801.db2.gz DCYIGWBAKOCDBK-VIFPVBQESA-N 2 0 358.489 0.064 20 0 FCADRP O=C(C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)N1CC[NH2+]CC1 ZINC001346113982 871651546 /nfs/dbraw/zinc/65/15/46/871651546.db2.gz RZAXYHIGDSCKBW-UHFFFAOYSA-N 2 0 365.865 0.817 20 0 FCADRP C/C(=C/C(=O)NOC1CC[NH+](C)CC1)C(=O)NOC1CC[NH+](C)CC1 ZINC001346960800 872083163 /nfs/dbraw/zinc/08/31/63/872083163.db2.gz FFTIDZVKNRNVHV-SEYXRHQNSA-N 2 0 354.451 0.217 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001330589946 872721109 /nfs/dbraw/zinc/72/11/09/872721109.db2.gz ZIHNURHTWUQLOX-GXSJLCMTSA-N 2 0 358.393 0.328 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC[NH2+]CC2 ZINC001348945169 872832384 /nfs/dbraw/zinc/83/23/84/872832384.db2.gz WXBLZCIPGLGCRT-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC[NH2+]CC2 ZINC001348945171 872833782 /nfs/dbraw/zinc/83/37/82/872833782.db2.gz WXBLZCIPGLGCRT-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)ccn1 ZINC001348972223 872839881 /nfs/dbraw/zinc/83/98/81/872839881.db2.gz HYDNATHTRCJZDK-UHFFFAOYSA-N 2 0 357.476 0.051 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC001331129008 872972754 /nfs/dbraw/zinc/97/27/54/872972754.db2.gz ZVTFSSPTFMOQMF-JONQDZQNSA-N 2 0 354.495 0.093 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001331198099 873003061 /nfs/dbraw/zinc/00/30/61/873003061.db2.gz UFOVVJWHFVZKBP-HAQNSBGRSA-N 2 0 364.412 0.715 20 0 FCADRP COCC[C@@H]([NH3+])Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC001331228788 873020137 /nfs/dbraw/zinc/02/01/37/873020137.db2.gz VHZCZBADORHIFL-CQSZACIVSA-N 2 0 352.483 0.173 20 0 FCADRP C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001331330989 873064406 /nfs/dbraw/zinc/06/44/06/873064406.db2.gz UXVKFHOBCXTIPR-OIISXLGYSA-N 2 0 367.515 0.775 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001331605393 873159625 /nfs/dbraw/zinc/15/96/25/873159625.db2.gz ZVPYHGTYTYJXKQ-BMFZPTHFSA-N 2 0 352.479 0.132 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001331605396 873159668 /nfs/dbraw/zinc/15/96/68/873159668.db2.gz ZVPYHGTYTYJXKQ-KBMXLJTQSA-N 2 0 352.479 0.132 20 0 FCADRP COCC[NH2+]CCc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC001331886016 873290150 /nfs/dbraw/zinc/29/01/50/873290150.db2.gz VDWIYSNLLXWJNG-UHFFFAOYSA-N 2 0 352.483 0.046 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001331915043 873302690 /nfs/dbraw/zinc/30/26/90/873302690.db2.gz LZTBRHJLDUADOI-DZKIICNBSA-N 2 0 360.524 0.133 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332684 873459819 /nfs/dbraw/zinc/45/98/19/873459819.db2.gz SNBAOXIKCLOLFB-LUKYLMHMSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332686 873460193 /nfs/dbraw/zinc/46/01/93/873460193.db2.gz SNBAOXIKCLOLFB-VQHPVUNQSA-N 2 0 350.507 0.953 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)[C@@H]1CCC[NH2+]1 ZINC001332414889 873498078 /nfs/dbraw/zinc/49/80/78/873498078.db2.gz FATLDNHUHILKIK-JYJNAYRXSA-N 2 0 357.520 0.391 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)[C@@H]1CCC[NH2+]1 ZINC001332414890 873498161 /nfs/dbraw/zinc/49/81/61/873498161.db2.gz FATLDNHUHILKIK-XHSDSOJGSA-N 2 0 357.520 0.391 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001332450855 873513553 /nfs/dbraw/zinc/51/35/53/873513553.db2.gz OSNYWGOJJQYAMK-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001332568725 873561382 /nfs/dbraw/zinc/56/13/82/873561382.db2.gz ONUCDWAIOUZSMD-MOPGFXCFSA-N 2 0 355.523 0.379 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574919230 948874356 /nfs/dbraw/zinc/87/43/56/948874356.db2.gz WWXFMRWWGOEOKZ-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574925759 948977655 /nfs/dbraw/zinc/97/76/55/948977655.db2.gz DECKFGAQHOEWOS-LLVKDONJSA-N 2 0 351.480 0.863 20 0 FCADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926255 948990361 /nfs/dbraw/zinc/99/03/61/948990361.db2.gz LXMXHIPUCDXLGL-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926390 948997911 /nfs/dbraw/zinc/99/79/11/948997911.db2.gz PCOMEJMWCFJRDR-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709215 949502626 /nfs/dbraw/zinc/50/26/26/949502626.db2.gz YNDDEZGKWPKJQF-XJKSGUPXSA-N 2 0 372.477 0.815 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713101 949593494 /nfs/dbraw/zinc/59/34/94/949593494.db2.gz VYDRWWMHNCWHNE-BBRMVZONSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957205 949604361 /nfs/dbraw/zinc/60/43/61/949604361.db2.gz SMIPSXSDGIVFQW-YNEHKIRRSA-N 2 0 358.450 0.543 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575271433 949619991 /nfs/dbraw/zinc/61/99/91/949619991.db2.gz KIEQRYQCFCYBKN-UONOGXRCSA-N 2 0 372.477 0.935 20 0 FCADRP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169960 949700717 /nfs/dbraw/zinc/70/07/17/949700717.db2.gz IJOIEODPXDBVED-XJKSGUPXSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574157674 950249266 /nfs/dbraw/zinc/24/92/66/950249266.db2.gz GHCXNSSKQWBXLW-ZDUSSCGKSA-N 2 0 360.466 0.578 20 0 FCADRP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575907606 950337216 /nfs/dbraw/zinc/33/72/16/950337216.db2.gz PMBRRPNWWUXWOX-WCQYABFASA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196487 950365492 /nfs/dbraw/zinc/36/54/92/950365492.db2.gz FKCQUSKKIROLEW-OLZOCXBDSA-N 2 0 356.434 0.038 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197173 950385199 /nfs/dbraw/zinc/38/51/99/950385199.db2.gz LGUCMJFFUCTGJZ-KBPBESRZSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001570973398 950386792 /nfs/dbraw/zinc/38/67/92/950386792.db2.gz CDPQIRZBLHXQPR-MLGOLLRUSA-N 2 0 355.446 0.507 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206220 950568028 /nfs/dbraw/zinc/56/80/28/950568028.db2.gz VQFPBAMGYNIMTL-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208949 950622511 /nfs/dbraw/zinc/62/25/11/950622511.db2.gz VRELADLUFGUOGL-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570988633 950791178 /nfs/dbraw/zinc/79/11/78/950791178.db2.gz LLYVWOVWAVYWDI-ZBFHGGJFSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099023 951828042 /nfs/dbraw/zinc/82/80/42/951828042.db2.gz HEDLJSUBOADZRL-RYUDHWBXSA-N 2 0 363.491 0.722 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575110237 951938123 /nfs/dbraw/zinc/93/81/23/951938123.db2.gz YKKKCQSBZWCABD-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113767 951945475 /nfs/dbraw/zinc/94/54/75/951945475.db2.gz FXCYNMVULDIFAO-DZGCQCFKSA-N 2 0 357.462 0.660 20 0 FCADRP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077787 952122070 /nfs/dbraw/zinc/12/20/70/952122070.db2.gz HECNORYRKLIDKT-OAHLLOKOSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078428 952129120 /nfs/dbraw/zinc/12/91/20/952129120.db2.gz QCSFAWPDZVQBHC-ZFWWWQNUSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078902 952136326 /nfs/dbraw/zinc/13/63/26/952136326.db2.gz XKIBFYDNTCFGCC-SNPRPXQTSA-N 2 0 370.461 0.748 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575146006 952189770 /nfs/dbraw/zinc/18/97/70/952189770.db2.gz FPIYUCRKQFCKPW-JHJVBQTASA-N 2 0 358.450 0.283 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575147777 952201285 /nfs/dbraw/zinc/20/12/85/952201285.db2.gz WAFLJENLOXSBIX-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+](C)C ZINC001571089475 952234104 /nfs/dbraw/zinc/23/41/04/952234104.db2.gz YIBRKJMTUSZQKD-IAGOWNOFSA-N 2 0 371.489 0.607 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571102718 952349227 /nfs/dbraw/zinc/34/92/27/952349227.db2.gz FOWAFEDYOOXTHJ-CJNGLKHVSA-N 2 0 372.477 0.673 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105214 952390551 /nfs/dbraw/zinc/39/05/51/952390551.db2.gz KBUMCJQGMCVAOI-ZFWWWQNUSA-N 2 0 373.436 0.648 20 0 FCADRP COc1cc(C[NH+](CCO)CCCO)cc(C[N@H+](CCO)CCCO)c1 ZINC000292666381 214115740 /nfs/dbraw/zinc/11/57/40/214115740.db2.gz QDMRFOURVWBPNX-UHFFFAOYSA-N 2 0 370.490 0.049 20 0 FCADRP C[C@@H](O)C[NH+](CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000295272025 214287448 /nfs/dbraw/zinc/28/74/48/214287448.db2.gz ZHEBSXJRHFVXDC-HUUCEWRRSA-N 2 0 374.909 0.690 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cn2)C1 ZINC000291509071 214039789 /nfs/dbraw/zinc/03/97/89/214039789.db2.gz QDLYGVRYPOWQRP-HUUCEWRRSA-N 2 0 359.474 0.445 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472846 529861359 /nfs/dbraw/zinc/86/13/59/529861359.db2.gz SFUJYQUVFUXRQF-SJORKVTESA-N 2 0 350.507 0.729 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410558162 529886386 /nfs/dbraw/zinc/88/63/86/529886386.db2.gz POAYTZMMIHLPHD-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP CNC(=O)N[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888986 /nfs/dbraw/zinc/88/89/86/529888986.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 2 0 368.526 0.409 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410969933 529929694 /nfs/dbraw/zinc/92/96/94/529929694.db2.gz FXMYWOUPOCFVLA-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1ncc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000265493915 210148359 /nfs/dbraw/zinc/14/83/59/210148359.db2.gz DQBHODOXXOWESG-UHFFFAOYSA-N 2 0 350.467 0.456 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752926 674055684 /nfs/dbraw/zinc/05/56/84/674055684.db2.gz XPRFHLTWCRMHOG-RTBURBONSA-N 2 0 355.523 0.381 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCCC1 ZINC000331480408 215002911 /nfs/dbraw/zinc/00/29/11/215002911.db2.gz HWOWFMBVXKBNQL-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482547 215003290 /nfs/dbraw/zinc/00/32/90/215003290.db2.gz BAJVAFQRKZRTRJ-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000331484360 215003537 /nfs/dbraw/zinc/00/35/37/215003537.db2.gz UPJFWOUYHPOVPW-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331460418 215000309 /nfs/dbraw/zinc/00/03/09/215000309.db2.gz YWTWRAIHPVUPTQ-DLBZAZTESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331466921 215000955 /nfs/dbraw/zinc/00/09/55/215000955.db2.gz VKKBATPNCCWSRO-XAJHFOFHSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331502408 215005543 /nfs/dbraw/zinc/00/55/43/215005543.db2.gz QZZVBPDJKZDSDB-ULQDDVLXSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC[C@@H]21 ZINC000331550786 215012576 /nfs/dbraw/zinc/01/25/76/215012576.db2.gz JGTFFAHAWXLZNJ-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000331590622 215019808 /nfs/dbraw/zinc/01/98/08/215019808.db2.gz YGWYELDJCOSBNB-YVSFHVDLSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)CC1 ZINC000331871884 215059186 /nfs/dbraw/zinc/05/91/86/215059186.db2.gz ZQGJLBSXYIANDC-IAGOWNOFSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000331930337 215069005 /nfs/dbraw/zinc/06/90/05/215069005.db2.gz DTLOQDOANJHDFC-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000331999922 215077704 /nfs/dbraw/zinc/07/77/04/215077704.db2.gz BOJKFZRQICKRHR-ZNMIVQPWSA-N 2 0 352.479 0.084 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)NCc1ccco1 ZINC000264946499 210023373 /nfs/dbraw/zinc/02/33/73/210023373.db2.gz XEWCZWFPWZJOKJ-UHFFFAOYSA-N 2 0 367.494 0.811 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000332248952 215115835 /nfs/dbraw/zinc/11/58/35/215115835.db2.gz CBPMACIADSIEGK-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248954 215116000 /nfs/dbraw/zinc/11/60/00/215116000.db2.gz CBPMACIADSIEGK-UXLLHSPISA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332330950 215130795 /nfs/dbraw/zinc/13/07/95/215130795.db2.gz QFNPFDYPQCGJMI-USXIJHARSA-N 2 0 350.507 0.809 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H](C)C1 ZINC000332343403 215133774 /nfs/dbraw/zinc/13/37/74/215133774.db2.gz SOIJRXKNFTURDZ-XAJHFOFHSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000332519923 215165516 /nfs/dbraw/zinc/16/55/16/215165516.db2.gz BTNJRHWALGRQBN-NVXWUHKLSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[C@@H]1[NH3+] ZINC000332521229 215166449 /nfs/dbraw/zinc/16/64/49/215166449.db2.gz ACEVWASPSRQGQC-RDJZCZTQSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332533493 215172002 /nfs/dbraw/zinc/17/20/02/215172002.db2.gz RTNUGPDRTOPIFG-YQQAZPJKSA-N 2 0 366.506 0.284 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419160569 535076086 /nfs/dbraw/zinc/07/60/86/535076086.db2.gz ZKYGAZHLTFUISC-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000333046342 215228348 /nfs/dbraw/zinc/22/83/48/215228348.db2.gz KMTXGPHPHLQSAT-UHFFFAOYSA-N 2 0 354.495 0.463 20 0 FCADRP C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000333189258 215247931 /nfs/dbraw/zinc/24/79/31/215247931.db2.gz VEXWFRPAQSSVRH-HNNXBMFYSA-N 2 0 354.495 0.338 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@H]21 ZINC000333258749 215255952 /nfs/dbraw/zinc/25/59/52/215255952.db2.gz DOSBWVNNXMWMDM-GOEBONIOSA-N 2 0 359.478 0.834 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)C[N@@H+]1C1CC1 ZINC000333214700 215251648 /nfs/dbraw/zinc/25/16/48/215251648.db2.gz CGMQWCLJQRTPNJ-UMVBOHGHSA-N 2 0 353.467 0.489 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000333319065 215262893 /nfs/dbraw/zinc/26/28/93/215262893.db2.gz MSRSMTCWTLIYPD-INIZCTEOSA-N 2 0 359.478 0.978 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000333492686 215288206 /nfs/dbraw/zinc/28/82/06/215288206.db2.gz VCYJGKJPDWIDRK-HOTGVXAUSA-N 2 0 374.489 0.709 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000333676007 215308048 /nfs/dbraw/zinc/30/80/48/215308048.db2.gz NYEPDMCTIVRBEK-HZSPNIEDSA-N 2 0 365.444 0.947 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333789763 215318891 /nfs/dbraw/zinc/31/88/91/215318891.db2.gz FZNYLTOHWLZRAK-HNNXBMFYSA-N 2 0 351.495 0.324 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C)[N@H+]1CCO ZINC000334000376 215336147 /nfs/dbraw/zinc/33/61/47/215336147.db2.gz RELUAWDGGFHNBM-ATLSCFEFSA-N 2 0 368.522 0.461 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000334075751 215341647 /nfs/dbraw/zinc/34/16/47/215341647.db2.gz JDVGUBQMMRMLQT-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545931 213356550 /nfs/dbraw/zinc/35/65/50/213356550.db2.gz IFEONXSMHZRTJB-WMLDXEAASA-N 2 0 371.485 0.897 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000361155465 215382549 /nfs/dbraw/zinc/38/25/49/215382549.db2.gz WMJUOYSTSNRQEM-GOSISDBHSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000285364057 213330540 /nfs/dbraw/zinc/33/05/40/213330540.db2.gz ZAYLUIRYKJJGGG-KRWDZBQOSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCc1nccn1C)N1CCc2sccc2C1 ZINC000285272149 213314880 /nfs/dbraw/zinc/31/48/80/213314880.db2.gz PTPPURVUQFCBRE-LBPRGKRZSA-N 2 0 361.471 0.661 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285206232 213301781 /nfs/dbraw/zinc/30/17/81/213301781.db2.gz VYJUNGZXELJDKH-UHFFFAOYSA-N 2 0 364.490 0.319 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000285143075 213291302 /nfs/dbraw/zinc/29/13/02/213291302.db2.gz SQHRNNCAIRDPIN-SFHVURJKSA-N 2 0 372.513 0.878 20 0 FCADRP Cc1ccn2cc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000285084410 213279910 /nfs/dbraw/zinc/27/99/10/213279910.db2.gz JSLHNXKQAZYFND-AWEZNQCLSA-N 2 0 355.442 0.859 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000284967255 213259752 /nfs/dbraw/zinc/25/97/52/213259752.db2.gz RXTVIGFFCBIDST-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000284833586 213230295 /nfs/dbraw/zinc/23/02/95/213230295.db2.gz MSOFWISUKCGOOI-HDICACEKSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000284766376 213215482 /nfs/dbraw/zinc/21/54/82/213215482.db2.gz IYQZPHRRDHSBBR-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000284399857 213129945 /nfs/dbraw/zinc/12/99/45/213129945.db2.gz ATBDLMFOEPGION-HDICACEKSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000413443874 237337772 /nfs/dbraw/zinc/33/77/72/237337772.db2.gz RNPBCZFYSZVBJU-IRXDYDNUSA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367050148 216068715 /nfs/dbraw/zinc/06/87/15/216068715.db2.gz MNLXUIWZRICJBL-SFHVURJKSA-N 2 0 372.579 0.902 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367186843 216089022 /nfs/dbraw/zinc/08/90/22/216089022.db2.gz PZDFPLHMJMFMEB-QZTJIDSGSA-N 2 0 369.554 0.622 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367195233 216090181 /nfs/dbraw/zinc/09/01/81/216090181.db2.gz HUOVYOKJKQCTMD-IRXDYDNUSA-N 2 0 355.527 0.232 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280802121 212670955 /nfs/dbraw/zinc/67/09/55/212670955.db2.gz KVDSXAYLYLOCDV-XLIONFOSSA-N 2 0 358.486 0.984 20 0 FCADRP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1cnc(N(C)C)n1C ZINC000367760587 216157914 /nfs/dbraw/zinc/15/79/14/216157914.db2.gz KZVKTWQTBMAZCU-UONOGXRCSA-N 2 0 350.467 0.491 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000246619858 209392991 /nfs/dbraw/zinc/39/29/91/209392991.db2.gz FBLKFSBBCGZASQ-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617129 209392273 /nfs/dbraw/zinc/39/22/73/209392273.db2.gz MFFODABXOFVUIK-ROUUACIJSA-N 2 0 368.522 0.851 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410993 209387421 /nfs/dbraw/zinc/38/74/21/209387421.db2.gz BMQMQCGGNYEUEH-OFQRWUPVSA-N 2 0 352.479 0.796 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCN(C)CC1 ZINC000245883977 209376819 /nfs/dbraw/zinc/37/68/19/209376819.db2.gz BLJBTMDFMAQAFD-FGTMMUONSA-N 2 0 351.539 0.996 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000237956893 209362912 /nfs/dbraw/zinc/36/29/12/209362912.db2.gz QGGDYENIZOVNNV-SNRMKQJTSA-N 2 0 370.497 0.808 20 0 FCADRP O=C([C@@H]1C[NH2+]CCO1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000237924737 209361538 /nfs/dbraw/zinc/36/15/38/209361538.db2.gz HRAKXSMXPHBTCF-INIZCTEOSA-N 2 0 353.850 0.851 20 0 FCADRP Cn1cc([C@H]2C[N@H+](CCn3ccnc3)CCN2CCn2ccnc2)cn1 ZINC000368267312 216225335 /nfs/dbraw/zinc/22/53/35/216225335.db2.gz ZSLAPZXMCGAGKO-GOSISDBHSA-N 2 0 354.462 0.872 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000237228427 209348764 /nfs/dbraw/zinc/34/87/64/209348764.db2.gz SVVVVQBCODYIAG-UONOGXRCSA-N 2 0 366.487 0.689 20 0 FCADRP CC(C)[NH+]1CCN(CCCN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000192760608 209305795 /nfs/dbraw/zinc/30/57/95/209305795.db2.gz CLBBTGJJOZEKHM-LJQANCHMSA-N 2 0 365.566 0.641 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1CC(C)(C)O ZINC000368704759 216285351 /nfs/dbraw/zinc/28/53/51/216285351.db2.gz UNBDIPBXQRHAFG-OWCLPIDISA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000368833508 216305333 /nfs/dbraw/zinc/30/53/33/216305333.db2.gz JVSACJGEJJPOAS-QZTJIDSGSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369050424 216339852 /nfs/dbraw/zinc/33/98/52/216339852.db2.gz GZXBNKGZYAPORT-IRXDYDNUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369344298 216386658 /nfs/dbraw/zinc/38/66/58/216386658.db2.gz PMOUNMZSFZRSKE-XDNAFOTISA-N 2 0 352.523 0.770 20 0 FCADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000369400614 216396044 /nfs/dbraw/zinc/39/60/44/216396044.db2.gz IEWFTDQHDGKLEO-GOSISDBHSA-N 2 0 369.554 0.811 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396372 216396546 /nfs/dbraw/zinc/39/65/46/216396546.db2.gz XBYPAEXKVKXDTN-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000188945753 209242806 /nfs/dbraw/zinc/24/28/06/209242806.db2.gz MMCFDDPBRRJGLV-IAGOWNOFSA-N 2 0 369.554 0.357 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000188586763 209233814 /nfs/dbraw/zinc/23/38/14/209233814.db2.gz HCXZXKNZVYUBAM-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP CCS(=O)(=O)NCCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188286637 209227211 /nfs/dbraw/zinc/22/72/11/209227211.db2.gz FWSGSJPPSHPNPU-SFHVURJKSA-N 2 0 369.531 0.885 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NOC[C@H]1CCOC1 ZINC000276252553 212196812 /nfs/dbraw/zinc/19/68/12/212196812.db2.gz KUNLXPQIISSICA-INIZCTEOSA-N 2 0 363.462 0.861 20 0 FCADRP C[C@H](O)C[NH+](Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO)[C@@H](C)CO ZINC000276216399 212188866 /nfs/dbraw/zinc/18/88/66/212188866.db2.gz PSPSBSZLYZIIIR-XSLAGTTESA-N 2 0 368.518 0.814 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430708 674114448 /nfs/dbraw/zinc/11/44/48/674114448.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 2 0 352.523 0.343 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000373272056 217002700 /nfs/dbraw/zinc/00/27/00/217002700.db2.gz SINAYUGPAMVCGA-INIZCTEOSA-N 2 0 368.522 0.992 20 0 FCADRP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931484722 674117249 /nfs/dbraw/zinc/11/72/49/674117249.db2.gz QDCBXLPWAHKJGH-CQSZACIVSA-N 2 0 355.479 0.175 20 0 FCADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000415183830 245356267 /nfs/dbraw/zinc/35/62/67/245356267.db2.gz JJWWQOHTTRXRIU-HNNXBMFYSA-N 2 0 362.474 0.650 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)c(C)c2)CC1 ZINC000415278681 245376526 /nfs/dbraw/zinc/37/65/26/245376526.db2.gz BHWGGZZXARAADC-UHFFFAOYSA-N 2 0 359.474 0.507 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH2+]CC2)c1 ZINC000415284368 245375508 /nfs/dbraw/zinc/37/55/08/245375508.db2.gz VVTDHRFWNHTTSK-UHFFFAOYSA-N 2 0 361.446 0.337 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000415360987 245398104 /nfs/dbraw/zinc/39/81/04/245398104.db2.gz YOZJHMPHJLBSRI-CQSZACIVSA-N 2 0 362.499 0.981 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363232 217121480 /nfs/dbraw/zinc/12/14/80/217121480.db2.gz PNEGHVVICAFFJK-DLBZAZTESA-N 2 0 350.507 0.587 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1=O ZINC000374398671 217124450 /nfs/dbraw/zinc/12/44/50/217124450.db2.gz KNMVFWMISZBUJO-YYIAUSFCSA-N 2 0 366.506 0.107 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC1=O ZINC000374918551 217189447 /nfs/dbraw/zinc/18/94/47/217189447.db2.gz SJNCZQOETVMBIZ-BRSBDYLESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182897918 209138366 /nfs/dbraw/zinc/13/83/66/209138366.db2.gz ZQGSLPYNDVMONX-HKUYNNGSSA-N 2 0 364.490 0.365 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000418060176 245748794 /nfs/dbraw/zinc/74/87/94/245748794.db2.gz OOZTYFVZZYNWAI-LBPRGKRZSA-N 2 0 351.417 0.606 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418611511 245803872 /nfs/dbraw/zinc/80/38/72/245803872.db2.gz HRSSNGOICVKPSY-FQUUOJAGSA-N 2 0 363.428 0.510 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418657509 245812276 /nfs/dbraw/zinc/81/22/76/245812276.db2.gz HOFFLFTXFCKRHE-HRCADAONSA-N 2 0 351.495 0.404 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418841792 245860677 /nfs/dbraw/zinc/86/06/77/245860677.db2.gz ATSIEAVXQCEKMC-YJBOKZPZSA-N 2 0 374.485 0.756 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418912250 245904652 /nfs/dbraw/zinc/90/46/52/245904652.db2.gz DSLCWFZGZCTWHL-RVKKMQEKSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000419106458 245984897 /nfs/dbraw/zinc/98/48/97/245984897.db2.gz JTYOMVWHBHYCIW-UONOGXRCSA-N 2 0 372.391 0.902 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCCCC1 ZINC000419123564 245998293 /nfs/dbraw/zinc/99/82/93/245998293.db2.gz HBTISGFMFZBTAW-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419126287 246001533 /nfs/dbraw/zinc/00/15/33/246001533.db2.gz MHXHLOAPBXHHHB-OAHLLOKOSA-N 2 0 355.527 0.008 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419129800 246004402 /nfs/dbraw/zinc/00/44/02/246004402.db2.gz YNVNDTLOVHLLLL-JKSUJKDBSA-N 2 0 355.527 0.008 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158810 246024377 /nfs/dbraw/zinc/02/43/77/246024377.db2.gz YIZOERTWGDQOKX-KBPBESRZSA-N 2 0 352.504 0.930 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158031 246024649 /nfs/dbraw/zinc/02/46/49/246024649.db2.gz XEKWCAYUWWMDMY-UONOGXRCSA-N 2 0 352.504 0.882 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419133036 246007786 /nfs/dbraw/zinc/00/77/86/246007786.db2.gz IHDRNMKDKYZFHV-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419134922 246009267 /nfs/dbraw/zinc/00/92/67/246009267.db2.gz LGDIOCZNKMHVFV-OAHLLOKOSA-N 2 0 364.515 0.945 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419145813 246015259 /nfs/dbraw/zinc/01/52/59/246015259.db2.gz AOZKAXRBCQUBRM-QRVBRYPASA-N 2 0 370.497 0.488 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419145784 246015274 /nfs/dbraw/zinc/01/52/74/246015274.db2.gz HUBPJDUSHHHXOM-GJZGRUSLSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148570 246016746 /nfs/dbraw/zinc/01/67/46/246016746.db2.gz DJRRWCDKNHEYNX-AEFFLSMTSA-N 2 0 358.486 0.488 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419150187 246016868 /nfs/dbraw/zinc/01/68/68/246016868.db2.gz KWJMXCVWINSCJA-BRWVUGGUSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148576 246017179 /nfs/dbraw/zinc/01/71/79/246017179.db2.gz DJRRWCDKNHEYNX-WMZOPIPTSA-N 2 0 358.486 0.488 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419167959 246030727 /nfs/dbraw/zinc/03/07/27/246030727.db2.gz JYNQCAPYGONCDA-KKUMJFAQSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000419196170 246046510 /nfs/dbraw/zinc/04/65/10/246046510.db2.gz WRHMWCUIUFOPGE-GJZGRUSLSA-N 2 0 359.474 0.371 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000419182585 246039807 /nfs/dbraw/zinc/03/98/07/246039807.db2.gz CMMSLPIYQWDZSK-UHFFFAOYSA-N 2 0 358.486 0.807 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000419186899 246041431 /nfs/dbraw/zinc/04/14/31/246041431.db2.gz FIZCEWNCSNSRGG-DOTOQJQBSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000419187714 246042072 /nfs/dbraw/zinc/04/20/72/246042072.db2.gz FVSTYNBXBFGMNN-JQHSSLGASA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419190051 246043661 /nfs/dbraw/zinc/04/36/61/246043661.db2.gz MIYFVKYNEFFASU-AWEZNQCLSA-N 2 0 362.449 0.727 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419212615 246057578 /nfs/dbraw/zinc/05/75/78/246057578.db2.gz UWIVRXWFCQJPNQ-XLIONFOSSA-N 2 0 358.486 0.965 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419215004 246058651 /nfs/dbraw/zinc/05/86/51/246058651.db2.gz NQICFDNKDCQSCI-KRWDZBQOSA-N 2 0 362.474 0.248 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419222308 246062482 /nfs/dbraw/zinc/06/24/82/246062482.db2.gz BMVLPABTBAUPOS-OLMNPRSZSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226541 246064334 /nfs/dbraw/zinc/06/43/34/246064334.db2.gz JEUZHPCFCJYTIR-AITUJVMLSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224547 246064509 /nfs/dbraw/zinc/06/45/09/246064509.db2.gz FUUCNQFCYOZXJY-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000419224384 246064978 /nfs/dbraw/zinc/06/49/78/246064978.db2.gz ZIPBPYFPCXLPDO-MRXNPFEDSA-N 2 0 362.474 0.583 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419227199 246065424 /nfs/dbraw/zinc/06/54/24/246065424.db2.gz JYAJEOPLKWAQQZ-DLBZAZTESA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226543 246065452 /nfs/dbraw/zinc/06/54/52/246065452.db2.gz JEUZHPCFCJYTIR-OWYHZJEWSA-N 2 0 370.497 0.834 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000419197593 246048614 /nfs/dbraw/zinc/04/86/14/246048614.db2.gz XVZBGEZXVWJNED-GOSISDBHSA-N 2 0 358.486 0.663 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419198612 246048767 /nfs/dbraw/zinc/04/87/67/246048767.db2.gz CVTUQDYPTBOGSP-WMZOPIPTSA-N 2 0 358.486 0.883 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000419209367 246054280 /nfs/dbraw/zinc/05/42/80/246054280.db2.gz BHXXSGKALRBYHS-XIRDDKMYSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419208016 246054377 /nfs/dbraw/zinc/05/43/77/246054377.db2.gz NQIDMTZBPZGVAI-SOLBZPMBSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234944 246070069 /nfs/dbraw/zinc/07/00/69/246070069.db2.gz YEXFZEFTHKXXMI-BQFCYCMXSA-N 2 0 358.486 0.834 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419233992 246072302 /nfs/dbraw/zinc/07/23/02/246072302.db2.gz XCUPAUJDQRHRNF-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000419237944 246073701 /nfs/dbraw/zinc/07/37/01/246073701.db2.gz MIAKVTZWXQTHDC-HOTGVXAUSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329506 246101909 /nfs/dbraw/zinc/10/19/09/246101909.db2.gz GPNPAAFLOHSXLU-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2=CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419371381 246123643 /nfs/dbraw/zinc/12/36/43/246123643.db2.gz ISKZRPXSQQLUFA-UHFFFAOYSA-N 2 0 356.470 0.238 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419416560 246148873 /nfs/dbraw/zinc/14/88/73/246148873.db2.gz WIJJIOXEHACVAX-SJORKVTESA-N 2 0 368.522 0.722 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000419416478 246149875 /nfs/dbraw/zinc/14/98/75/246149875.db2.gz WCICNNMMXMRLFM-UKPHBRMFSA-N 2 0 364.465 0.988 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419388382 246130837 /nfs/dbraw/zinc/13/08/37/246130837.db2.gz DMWZQICOOHHOMT-LULLPPNCSA-N 2 0 370.497 0.691 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397206 246131547 /nfs/dbraw/zinc/13/15/47/246131547.db2.gz UKBJGVGVCVTLQQ-ZWKOTPCHSA-N 2 0 360.502 0.924 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000419401391 246137176 /nfs/dbraw/zinc/13/71/76/246137176.db2.gz BARWZSRFRXLEFO-CRAIPNDOSA-N 2 0 350.438 0.742 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419401978 246137739 /nfs/dbraw/zinc/13/77/39/246137739.db2.gz BRGDKTAZMPKQEA-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419407820 246141336 /nfs/dbraw/zinc/14/13/36/246141336.db2.gz LEIRFSBJEVZSFM-LJQANCHMSA-N 2 0 370.497 0.975 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000419408022 246141491 /nfs/dbraw/zinc/14/14/91/246141491.db2.gz LFMXBSLAXHLGHV-VVLHAWIVSA-N 2 0 352.523 0.914 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419420696 246154681 /nfs/dbraw/zinc/15/46/81/246154681.db2.gz KFUOQYQVRUDNFK-YJBOKZPZSA-N 2 0 358.486 0.795 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419433993 246161595 /nfs/dbraw/zinc/16/15/95/246161595.db2.gz ZYTKJFBVBIRPJS-DLBZAZTESA-N 2 0 360.458 0.044 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419418565 246153111 /nfs/dbraw/zinc/15/31/11/246153111.db2.gz IHNLIBIEPQAVRR-VQIMIIECSA-N 2 0 372.513 0.994 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419475855 246176837 /nfs/dbraw/zinc/17/68/37/246176837.db2.gz FNNWHGZHEBEGQM-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419474880 246177038 /nfs/dbraw/zinc/17/70/38/246177038.db2.gz CTMQCAYDUZQQAC-JYJNAYRXSA-N 2 0 368.522 0.986 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483579 246179040 /nfs/dbraw/zinc/17/90/40/246179040.db2.gz RZVHXNZBCCMZLD-CVEARBPZSA-N 2 0 368.522 0.844 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419479572 246179204 /nfs/dbraw/zinc/17/92/04/246179204.db2.gz LXFFEJFYNSICFK-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)[N@H+](C)C1CC1 ZINC000419587721 246211367 /nfs/dbraw/zinc/21/13/67/246211367.db2.gz NSPOQMCPFXCYAC-COXVUDFISA-N 2 0 366.506 0.330 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419534172 246195272 /nfs/dbraw/zinc/19/52/72/246195272.db2.gz PYAQFHZNDYJCCX-HGHGUNKESA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534745 246196195 /nfs/dbraw/zinc/19/61/95/246196195.db2.gz QQCRWQVYDLKEDC-NVXWUHKLSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000419609964 246218225 /nfs/dbraw/zinc/21/82/25/246218225.db2.gz ZRMIQOZWTFLWOK-HNNXBMFYSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649695 246230574 /nfs/dbraw/zinc/23/05/74/246230574.db2.gz UIGMHOWLXIJIAZ-DOMZBBRYSA-N 2 0 352.479 0.206 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000419717850 246268335 /nfs/dbraw/zinc/26/83/35/246268335.db2.gz VHPAKOUJRTWIMB-HRCADAONSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419715903 246268479 /nfs/dbraw/zinc/26/84/79/246268479.db2.gz ZZDKUUFOXIHFCX-XLMAVXFVSA-N 2 0 358.486 0.974 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717420 246268796 /nfs/dbraw/zinc/26/87/96/246268796.db2.gz BFQYTZXSMLNYDG-WCQYABFASA-N 2 0 354.495 0.641 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419676120 246244345 /nfs/dbraw/zinc/24/43/45/246244345.db2.gz BEBLAJZHTLKQSR-HNNXBMFYSA-N 2 0 368.547 0.804 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419682089 246247502 /nfs/dbraw/zinc/24/75/02/246247502.db2.gz JCKMVUULQIIZNX-OAHLLOKOSA-N 2 0 368.547 0.532 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419687802 246249579 /nfs/dbraw/zinc/24/95/79/246249579.db2.gz QBQXQTLGJOYJDK-CVEARBPZSA-N 2 0 366.506 0.476 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C1CCCC1 ZINC000419692811 246253677 /nfs/dbraw/zinc/25/36/77/246253677.db2.gz HQLXQZSRSKJAMZ-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419693576 246253824 /nfs/dbraw/zinc/25/38/24/246253824.db2.gz NRQFWGJGDRWIBO-GJZGRUSLSA-N 2 0 368.547 0.660 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419702401 246258500 /nfs/dbraw/zinc/25/85/00/246258500.db2.gz BSSGBTLXCZOHDO-DOTOQJQBSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419703498 246259161 /nfs/dbraw/zinc/25/91/61/246259161.db2.gz DILMIXAIWMEDDX-SOLBZPMBSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702416 246259189 /nfs/dbraw/zinc/25/91/89/246259189.db2.gz BTOIKIMNMIOTEJ-OWYHZJEWSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000419703292 246259988 /nfs/dbraw/zinc/25/99/88/246259988.db2.gz DEBFMKGQMQUZAX-DDBAPUKQSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000419705285 246261199 /nfs/dbraw/zinc/26/11/99/246261199.db2.gz AJDUYCCMWYNIRJ-MAUKXSAKSA-N 2 0 360.502 0.850 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419709880 246263744 /nfs/dbraw/zinc/26/37/44/246263744.db2.gz PFTGGLLLNHBZDH-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CCCC2)CC1 ZINC000419751491 246283812 /nfs/dbraw/zinc/28/38/12/246283812.db2.gz KGCXWJTZVSGGLE-MRXNPFEDSA-N 2 0 366.506 0.380 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755979 246287158 /nfs/dbraw/zinc/28/71/58/246287158.db2.gz ADRWVJJFQCIDCD-MAUKXSAKSA-N 2 0 358.486 0.834 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CCCC2)CC1 ZINC000419758360 246287662 /nfs/dbraw/zinc/28/76/62/246287662.db2.gz VXNLRGBWASGFIR-CQSZACIVSA-N 2 0 354.495 0.332 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C1CC1 ZINC000419761934 246288817 /nfs/dbraw/zinc/28/88/17/246288817.db2.gz LHCSDIJOCUJHGE-GOSISDBHSA-N 2 0 358.486 0.963 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760810 246289619 /nfs/dbraw/zinc/28/96/19/246289619.db2.gz OHNPWCDROOPMPC-CVEARBPZSA-N 2 0 350.438 0.760 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000419767388 246290446 /nfs/dbraw/zinc/29/04/46/246290446.db2.gz ZWXLNBSNBZVDME-HNNXBMFYSA-N 2 0 364.465 0.961 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000419778212 246294075 /nfs/dbraw/zinc/29/40/75/246294075.db2.gz OHANXDMOKLTSPR-RBSFLKMASA-N 2 0 354.495 0.188 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802575 246302268 /nfs/dbraw/zinc/30/22/68/246302268.db2.gz LTKPNROGWZMYGZ-UHFFFAOYSA-N 2 0 367.538 0.249 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419830414 246309573 /nfs/dbraw/zinc/30/95/73/246309573.db2.gz WASCJWSBPHGJHV-INIZCTEOSA-N 2 0 366.506 0.396 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419831177 246309950 /nfs/dbraw/zinc/30/99/50/246309950.db2.gz WLYYVTGHTJWVGZ-SFHVURJKSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419841689 246315824 /nfs/dbraw/zinc/31/58/24/246315824.db2.gz KOLPHGASOIAYRE-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419844374 246316692 /nfs/dbraw/zinc/31/66/92/246316692.db2.gz OAGRAZGFCWOCLI-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419844373 246317353 /nfs/dbraw/zinc/31/73/53/246317353.db2.gz OAGRAZGFCWOCLI-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419850278 246319468 /nfs/dbraw/zinc/31/94/68/246319468.db2.gz FJUJDJWCFDJLCU-UHFFFAOYSA-N 2 0 366.506 0.348 20 0 FCADRP CN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419850718 246321367 /nfs/dbraw/zinc/32/13/67/246321367.db2.gz MJANIJBGIHIUMV-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000419873982 246341867 /nfs/dbraw/zinc/34/18/67/246341867.db2.gz ZHTXIIMEGCMDCX-XJKSGUPXSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419866458 246335099 /nfs/dbraw/zinc/33/50/99/246335099.db2.gz UKHGHJVSDZAMCI-INIZCTEOSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869142 246338099 /nfs/dbraw/zinc/33/80/99/246338099.db2.gz CUUCAOQDSQXYST-AWEZNQCLSA-N 2 0 354.401 0.333 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923241 246371924 /nfs/dbraw/zinc/37/19/24/246371924.db2.gz GHDSKTZZVZVMEI-YJBOKZPZSA-N 2 0 374.485 0.514 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419927369 246372933 /nfs/dbraw/zinc/37/29/33/246372933.db2.gz QUXASKOIXLMBOF-NRFANRHFSA-N 2 0 370.497 0.837 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000419883252 246347299 /nfs/dbraw/zinc/34/72/99/246347299.db2.gz IXUCQSQONDIMRM-YESZJQIVSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419882727 246347872 /nfs/dbraw/zinc/34/78/72/246347872.db2.gz MIXAGTFNRXRVNF-CQSZACIVSA-N 2 0 352.504 0.897 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419893945 246355527 /nfs/dbraw/zinc/35/55/27/246355527.db2.gz MZTPJFBHEOWQSS-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419895290 246356905 /nfs/dbraw/zinc/35/69/05/246356905.db2.gz RYNBUCQDVDEQBY-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000419902598 246359643 /nfs/dbraw/zinc/35/96/43/246359643.db2.gz WDZGYJLJRQGLFG-UHFFFAOYSA-N 2 0 374.407 0.931 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419958701 246389025 /nfs/dbraw/zinc/38/90/25/246389025.db2.gz QDWGRLDMHMDIHY-HOTGVXAUSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419962991 246389751 /nfs/dbraw/zinc/38/97/51/246389751.db2.gz VTHJYJQWCGJYSZ-PMPSAXMXSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419963053 246391426 /nfs/dbraw/zinc/39/14/26/246391426.db2.gz YJRPXJYPGKFERE-GOSISDBHSA-N 2 0 358.486 0.979 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000419988932 246403624 /nfs/dbraw/zinc/40/36/24/246403624.db2.gz AMGKGGUAEOQUBP-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419999756 246409929 /nfs/dbraw/zinc/40/99/29/246409929.db2.gz SLNSXGBHVLAJEE-DOTOQJQBSA-N 2 0 361.490 0.748 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000420217966 246532008 /nfs/dbraw/zinc/53/20/08/246532008.db2.gz XWSKUQJBQYFXDM-HRCADAONSA-N 2 0 354.495 0.189 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420185116 246517927 /nfs/dbraw/zinc/51/79/27/246517927.db2.gz JKNLWUJUAUVLHL-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000420192860 246523219 /nfs/dbraw/zinc/52/32/19/246523219.db2.gz INYGPOCKJLTKHF-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423057878 246954637 /nfs/dbraw/zinc/95/46/37/246954637.db2.gz IHCMXJYPADPNQH-OKZBNKHCSA-N 2 0 358.486 0.882 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423057877 246955558 /nfs/dbraw/zinc/95/55/58/246955558.db2.gz IHCMXJYPADPNQH-FGTMMUONSA-N 2 0 358.486 0.882 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[C@@H]1[NH3+] ZINC000423361482 247011588 /nfs/dbraw/zinc/01/15/88/247011588.db2.gz GYENPINVYJZSEK-ZFWWWQNUSA-N 2 0 352.504 0.834 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000423372355 247014309 /nfs/dbraw/zinc/01/43/09/247014309.db2.gz BFFMICIWZJAVJX-NVXWUHKLSA-N 2 0 368.522 0.530 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423417547 247022802 /nfs/dbraw/zinc/02/28/02/247022802.db2.gz SQNFTCYKZSXMSE-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423569679 247056843 /nfs/dbraw/zinc/05/68/43/247056843.db2.gz SGYPVDJIRDFICM-GOEBONIOSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423583886 247063099 /nfs/dbraw/zinc/06/30/99/247063099.db2.gz BKBNINJWINAEAH-GOSISDBHSA-N 2 0 364.515 0.850 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423438663 247026774 /nfs/dbraw/zinc/02/67/74/247026774.db2.gz HCWNMWUWLHZBSZ-XSLAGTTESA-N 2 0 362.518 0.763 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000423437742 247027115 /nfs/dbraw/zinc/02/71/15/247027115.db2.gz GOCQRHVPZUBWEB-OAGGEKHMSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000423437642 247027341 /nfs/dbraw/zinc/02/73/41/247027341.db2.gz GJVOKERQBBYOAJ-HYVNUMGLSA-N 2 0 350.507 0.620 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423451466 247030237 /nfs/dbraw/zinc/03/02/37/247030237.db2.gz VEELEXSNIXDKNU-DLBZAZTESA-N 2 0 368.522 0.533 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000423477047 247034613 /nfs/dbraw/zinc/03/46/13/247034613.db2.gz KXPMXRMVLLLWHA-INIZCTEOSA-N 2 0 362.474 0.393 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423522844 247041062 /nfs/dbraw/zinc/04/10/62/247041062.db2.gz HSNTUEYFDLZHOD-ROUUACIJSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423607661 247072239 /nfs/dbraw/zinc/07/22/39/247072239.db2.gz JULWWLMVEHYZDJ-DZGCQCFKSA-N 2 0 352.504 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423694524 247113986 /nfs/dbraw/zinc/11/39/86/247113986.db2.gz GDJUVRKSJLWOKZ-UTKZUKDTSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423612220 247074242 /nfs/dbraw/zinc/07/42/42/247074242.db2.gz PELXAFVCFJNBPG-HNNXBMFYSA-N 2 0 352.504 0.849 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000423619181 247079003 /nfs/dbraw/zinc/07/90/03/247079003.db2.gz HZOKJOFNTWYXRC-HZPDHXFCSA-N 2 0 354.495 0.286 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423642880 247087516 /nfs/dbraw/zinc/08/75/16/247087516.db2.gz LSFIGPBULVUKFZ-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000423649691 247091456 /nfs/dbraw/zinc/09/14/56/247091456.db2.gz KAFRKFXTMVFVBL-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000423649687 247092910 /nfs/dbraw/zinc/09/29/10/247092910.db2.gz KAFRKFXTMVFVBL-ARFHVFGLSA-N 2 0 354.495 0.155 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423651911 247094128 /nfs/dbraw/zinc/09/41/28/247094128.db2.gz WLTSFNCQKZMTEF-GUDVDZBRSA-N 2 0 370.497 0.917 20 0 FCADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423829559 247143173 /nfs/dbraw/zinc/14/31/73/247143173.db2.gz TXVONPXJKGGYCI-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861482 247146297 /nfs/dbraw/zinc/14/62/97/247146297.db2.gz COADEDWUFXKXFT-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2c[nH+]ccc2N)n1 ZINC000423919991 247151428 /nfs/dbraw/zinc/15/14/28/247151428.db2.gz FUAQZJFNWPPCMP-RYUDHWBXSA-N 2 0 359.409 0.697 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1C[NH3+] ZINC000423716516 247122085 /nfs/dbraw/zinc/12/20/85/247122085.db2.gz AAUWWCHULNWFNF-DJIMGWMZSA-N 2 0 350.507 0.763 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)cn2)CC1 ZINC000423728378 247128499 /nfs/dbraw/zinc/12/84/99/247128499.db2.gz LVJZMIOFEVTVON-CYBMUJFWSA-N 2 0 355.446 0.886 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423738402 247133068 /nfs/dbraw/zinc/13/30/68/247133068.db2.gz QKGCVEAPYYHPMB-NVXWUHKLSA-N 2 0 366.506 0.143 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C[C@H]2[NH3+])cn1 ZINC000424223182 247180581 /nfs/dbraw/zinc/18/05/81/247180581.db2.gz HDLLJVSGYAZELL-YESZJQIVSA-N 2 0 352.442 0.725 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CCN1C ZINC000424490991 247238150 /nfs/dbraw/zinc/23/81/50/247238150.db2.gz BKCNHKHZAVFUAI-JKSUJKDBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000424451727 247220903 /nfs/dbraw/zinc/22/09/03/247220903.db2.gz FJLOZKPLNMRSMX-TXCZRRACSA-N 2 0 364.494 0.356 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425405942 247337133 /nfs/dbraw/zinc/33/71/33/247337133.db2.gz RRAXVQOYXCPTOQ-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)C1=O ZINC000425314559 247320329 /nfs/dbraw/zinc/32/03/29/247320329.db2.gz VGCFDRNFPPEURD-RBUKOAKNSA-N 2 0 372.513 0.971 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576764 247708924 /nfs/dbraw/zinc/70/89/24/247708924.db2.gz XOGLKEBPEHFTDP-OLZOCXBDSA-N 2 0 354.476 0.722 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484973 248041331 /nfs/dbraw/zinc/04/13/31/248041331.db2.gz FCTWZJNHJMPFEA-CQSZACIVSA-N 2 0 352.483 0.754 20 0 FCADRP CC[C@@](C)(OC)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000435679071 248008432 /nfs/dbraw/zinc/00/84/32/248008432.db2.gz VPGPBSADCOSQHJ-LJQANCHMSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C1 ZINC000436297296 248036951 /nfs/dbraw/zinc/03/69/51/248036951.db2.gz XDEBETDQQOQLGL-QWFCFKBJSA-N 2 0 364.534 0.630 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438881320 248100051 /nfs/dbraw/zinc/10/00/51/248100051.db2.gz BHZJFLZAILJJJK-YOEHRIQHSA-N 2 0 371.485 0.741 20 0 FCADRP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000443066943 248305766 /nfs/dbraw/zinc/30/57/66/248305766.db2.gz GBBYCGVGRDSTAQ-CQSZACIVSA-N 2 0 368.503 0.950 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C1 ZINC000444261557 248353517 /nfs/dbraw/zinc/35/35/17/248353517.db2.gz FYCQJKQFPTXAJJ-ZIFCJYIRSA-N 2 0 350.507 0.239 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453641536 249350650 /nfs/dbraw/zinc/35/06/50/249350650.db2.gz IURJHXSXCOVBIE-KRWDZBQOSA-N 2 0 362.474 0.868 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000453926701 249388871 /nfs/dbraw/zinc/38/88/71/249388871.db2.gz KKPJJHHUSVSTHI-WMLDXEAASA-N 2 0 360.458 0.728 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000271019218 211317017 /nfs/dbraw/zinc/31/70/17/211317017.db2.gz BFBQMGBCZNCAFD-KRWDZBQOSA-N 2 0 374.489 0.249 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270705261 211252369 /nfs/dbraw/zinc/25/23/69/211252369.db2.gz JNSSXKUIZABNQW-UHFFFAOYSA-N 2 0 367.494 0.790 20 0 FCADRP C[NH+](Cc1ccc(C[N@@H+](C)CC(C)(CO)CO)cc1)CC(C)(CO)CO ZINC000270366090 211191403 /nfs/dbraw/zinc/19/14/03/211191403.db2.gz ZICSZFYCHQTJBP-UHFFFAOYSA-N 2 0 368.518 0.532 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470963486 250082474 /nfs/dbraw/zinc/08/24/74/250082474.db2.gz LEGPLZLTBURUMO-HYVNUMGLSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000471076597 250089852 /nfs/dbraw/zinc/08/98/52/250089852.db2.gz WHWYWUIARFWOSM-MRXNPFEDSA-N 2 0 350.463 0.506 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000471651713 250112988 /nfs/dbraw/zinc/11/29/88/250112988.db2.gz GPVYCILMTGWFFR-SFHVURJKSA-N 2 0 364.490 0.631 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284607 250143137 /nfs/dbraw/zinc/14/31/37/250143137.db2.gz MCOKFRCBNLIDLG-WBVHZDCISA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472278278 250143837 /nfs/dbraw/zinc/14/38/37/250143837.db2.gz NZMDGJBDBIRIAN-IXDOHACOSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@H]1C(=O)NCCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000472099631 250131349 /nfs/dbraw/zinc/13/13/49/250131349.db2.gz IRCPOLYZRITNGP-INIZCTEOSA-N 2 0 374.489 0.514 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000472172572 250136132 /nfs/dbraw/zinc/13/61/32/250136132.db2.gz OJAOKJIIYDNBTP-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480886906 250293227 /nfs/dbraw/zinc/29/32/27/250293227.db2.gz VPNATHGBKDTDEO-MRXNPFEDSA-N 2 0 370.538 0.650 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000481057452 250310185 /nfs/dbraw/zinc/31/01/85/250310185.db2.gz XDOVWGUCKWDGTB-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000481200143 250320809 /nfs/dbraw/zinc/32/08/09/250320809.db2.gz OZCKBLXLPQMUJA-PMPSAXMXSA-N 2 0 361.490 0.973 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNc1ncc(Cl)c(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000269762370 211070257 /nfs/dbraw/zinc/07/02/57/211070257.db2.gz FHOYVEWDDBWNLY-JKSUJKDBSA-N 2 0 374.917 0.579 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000481769105 250356539 /nfs/dbraw/zinc/35/65/39/250356539.db2.gz JMOCNYNFEQQRFT-PMPSAXMXSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000481804352 250361366 /nfs/dbraw/zinc/36/13/66/250361366.db2.gz DYGWZEYIVWARJT-WBTNSWJXSA-N 2 0 350.507 0.822 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+](C)C1 ZINC000413138649 532988570 /nfs/dbraw/zinc/98/85/70/532988570.db2.gz DALCTKZMXVZROR-CQSZACIVSA-N 2 0 354.495 0.996 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961225 208123922 /nfs/dbraw/zinc/12/39/22/208123922.db2.gz PPRBVPQNXJZBCI-PMACEKPBSA-N 2 0 374.529 0.766 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867649 208288233 /nfs/dbraw/zinc/28/82/33/208288233.db2.gz JEUHVLZQWGWKNV-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)CN1CCOCC1 ZINC000120923099 208394958 /nfs/dbraw/zinc/39/49/58/208394958.db2.gz AMSVOKHLMXPVQH-HNNXBMFYSA-N 2 0 371.441 0.895 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246473580 209391041 /nfs/dbraw/zinc/39/10/41/209391041.db2.gz QWYCHFSYJIXPNG-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000412569820 533092270 /nfs/dbraw/zinc/09/22/70/533092270.db2.gz INCYNCJKWAPMHM-KRWDZBQOSA-N 2 0 362.474 0.964 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178884459 209062792 /nfs/dbraw/zinc/06/27/92/209062792.db2.gz XUOKANIXMBWKKI-CVEARBPZSA-N 2 0 358.552 0.320 20 0 FCADRP Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000178956603 209066834 /nfs/dbraw/zinc/06/68/34/209066834.db2.gz ASJNQAHVAKUAKM-UHFFFAOYSA-N 2 0 356.492 0.987 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@H+](C)C1 ZINC000413052907 533480234 /nfs/dbraw/zinc/48/02/34/533480234.db2.gz IRRMZNYJPWUMCJ-JKSUJKDBSA-N 2 0 370.494 0.089 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410432866 230077272 /nfs/dbraw/zinc/07/72/72/230077272.db2.gz KNTLUIUWQISHCP-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466549 230089667 /nfs/dbraw/zinc/08/96/67/230089667.db2.gz IZIZCYICTGPOLK-IRXDYDNUSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000410494331 230101654 /nfs/dbraw/zinc/10/16/54/230101654.db2.gz PXCGSPQMEPXTTM-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410497134 230103483 /nfs/dbraw/zinc/10/34/83/230103483.db2.gz IKGVANUUOTYHOS-QGZVFWFLSA-N 2 0 368.522 0.213 20 0 FCADRP CN(C(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497909 230103849 /nfs/dbraw/zinc/10/38/49/230103849.db2.gz LMNMRRZZAJNZRV-DOTOQJQBSA-N 2 0 373.501 0.896 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410505615 230108673 /nfs/dbraw/zinc/10/86/73/230108673.db2.gz VPDXDDGEFQOCHZ-INIZCTEOSA-N 2 0 354.495 0.110 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410537621 230129694 /nfs/dbraw/zinc/12/96/94/230129694.db2.gz IAERPOOPXGTDQY-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963157 230331006 /nfs/dbraw/zinc/33/10/06/230331006.db2.gz MKACTFPDJXRYTB-NEWSRXKRSA-N 2 0 372.513 0.934 20 0 FCADRP Cn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000606060140 484493010 /nfs/dbraw/zinc/49/30/10/484493010.db2.gz OZPLOZVADBHEPH-UHFFFAOYSA-N 2 0 371.445 0.082 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCc3ccccc3C2)CCC1 ZINC000287565526 488882124 /nfs/dbraw/zinc/88/21/24/488882124.db2.gz DUYRPXKRPCNIQM-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699587 488895195 /nfs/dbraw/zinc/89/51/95/488895195.db2.gz UHMUAWXRBXBXSQ-AEFFLSMTSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000327627816 488919947 /nfs/dbraw/zinc/91/99/47/488919947.db2.gz OHQSWDHTOQQOHR-CQSZACIVSA-N 2 0 358.442 0.460 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000562803659 491190578 /nfs/dbraw/zinc/19/05/78/491190578.db2.gz DAMPAUWRVGNKIT-NZSAHSFTSA-N 2 0 359.518 0.925 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000288288639 488966167 /nfs/dbraw/zinc/96/61/67/488966167.db2.gz VSEPSAQTYUJXKS-UHFFFAOYSA-N 2 0 368.478 0.254 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000562823157 491193369 /nfs/dbraw/zinc/19/33/69/491193369.db2.gz SXJWNPSTYRNBAG-CABCVRRESA-N 2 0 352.866 0.912 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1=O ZINC000072827093 488382876 /nfs/dbraw/zinc/38/28/76/488382876.db2.gz JYJOZKUKUMCGRO-MSOLQXFVSA-N 2 0 360.502 0.686 20 0 FCADRP O=C1C[C@@]2(CN1)CCC[NH+](CCCC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000072833844 488382954 /nfs/dbraw/zinc/38/29/54/488382954.db2.gz DBWMTIPSOVZWNA-BGYRXZFFSA-N 2 0 362.518 0.971 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327390 488384407 /nfs/dbraw/zinc/38/44/07/488384407.db2.gz GTJPGPYSTOCVAH-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCN(C)CC1 ZINC000074008863 488387165 /nfs/dbraw/zinc/38/71/65/488387165.db2.gz LOMDNDLZWSPHQP-QGZVFWFLSA-N 2 0 369.554 0.668 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000074345431 488390910 /nfs/dbraw/zinc/39/09/10/488390910.db2.gz NUGNOUBKNDEWBF-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345555 488391087 /nfs/dbraw/zinc/39/10/87/488391087.db2.gz MZKWWAHHOACLER-OAHLLOKOSA-N 2 0 353.511 0.746 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000074345361 488391115 /nfs/dbraw/zinc/39/11/15/488391115.db2.gz SKRDNLXZFGZUOO-INIZCTEOSA-N 2 0 351.495 0.311 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000185313357 488400281 /nfs/dbraw/zinc/40/02/81/488400281.db2.gz ULELJNPDOPGCNJ-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185735823 488402199 /nfs/dbraw/zinc/40/21/99/488402199.db2.gz WCWNXMMXVRCNQD-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000185863978 488402966 /nfs/dbraw/zinc/40/29/66/488402966.db2.gz RLKXKQDHXSJZPI-QGZVFWFLSA-N 2 0 361.538 0.344 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000076971782 488407983 /nfs/dbraw/zinc/40/79/83/488407983.db2.gz LDWCZHKLHFNVRK-JKSUJKDBSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000077836427 488418561 /nfs/dbraw/zinc/41/85/61/488418561.db2.gz QYCPFKCYYQWCRW-JKSUJKDBSA-N 2 0 355.527 0.911 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000192646921 488423385 /nfs/dbraw/zinc/42/33/85/488423385.db2.gz WSODLBXCWVKWEY-OAHLLOKOSA-N 2 0 357.524 0.634 20 0 FCADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(=O)N1CCOCC1 ZINC000192789310 488424098 /nfs/dbraw/zinc/42/40/98/488424098.db2.gz VDAMMYNMOOJIBG-GOSISDBHSA-N 2 0 354.539 0.876 20 0 FCADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(=O)N1CCOCC1 ZINC000192789297 488424236 /nfs/dbraw/zinc/42/42/36/488424236.db2.gz VDAMMYNMOOJIBG-SFHVURJKSA-N 2 0 354.539 0.876 20 0 FCADRP C[C@@H](CN1CCOCC1)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000193282480 488426592 /nfs/dbraw/zinc/42/65/92/488426592.db2.gz DTXXARQLQJZFHD-HRCADAONSA-N 2 0 356.511 0.894 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000195138533 488435861 /nfs/dbraw/zinc/43/58/61/488435861.db2.gz ZVFBOJRQDLIPKL-QGZVFWFLSA-N 2 0 356.511 0.753 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCSC)cn2)CC1 ZINC000236895897 488453713 /nfs/dbraw/zinc/45/37/13/488453713.db2.gz GLOPGHPZOAIGBP-HNNXBMFYSA-N 2 0 351.520 0.920 20 0 FCADRP CCC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000245897866 488467020 /nfs/dbraw/zinc/46/70/20/488467020.db2.gz KSGJDOXTJSIBCZ-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000562934304 491201620 /nfs/dbraw/zinc/20/16/20/491201620.db2.gz IFLKMSVUEYALIL-QKLQHJQFSA-N 2 0 361.486 0.537 20 0 FCADRP C[C@@]1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269046 488484688 /nfs/dbraw/zinc/48/46/88/488484688.db2.gz QVMSKANAOURGAN-FXAWDEMLSA-N 2 0 358.486 1.000 20 0 FCADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269279708 488485997 /nfs/dbraw/zinc/48/59/97/488485997.db2.gz ZYZVQFOUGGWQEI-NVXWUHKLSA-N 2 0 351.422 0.508 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248446651 488496692 /nfs/dbraw/zinc/49/66/92/488496692.db2.gz NCJVTBRFHJJWAU-GOSISDBHSA-N 2 0 364.490 0.631 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103211428 488499943 /nfs/dbraw/zinc/49/99/43/488499943.db2.gz MBQBNHRJTMTBJT-IYBDPMFKSA-N 2 0 366.506 0.504 20 0 FCADRP Cc1nn(C)c(C)c1-c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]n1 ZINC000103212839 488500623 /nfs/dbraw/zinc/50/06/23/488500623.db2.gz SWEBSFLIBKOELQ-UHFFFAOYSA-N 2 0 361.494 0.992 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103306749 488500769 /nfs/dbraw/zinc/50/07/69/488500769.db2.gz MJCHCJJJOVOKSA-MRXNPFEDSA-N 2 0 363.506 0.420 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000103212430 488500859 /nfs/dbraw/zinc/50/08/59/488500859.db2.gz KFUVUROQNZDRMP-INIZCTEOSA-N 2 0 361.490 0.382 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000103508568 488502419 /nfs/dbraw/zinc/50/24/19/488502419.db2.gz GNUBGUFGHHUEPM-HDICACEKSA-N 2 0 369.554 0.813 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105223236 488507976 /nfs/dbraw/zinc/50/79/76/488507976.db2.gz CJSNURMNNHYZTD-MRXNPFEDSA-N 2 0 353.511 0.570 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000554462043 491204178 /nfs/dbraw/zinc/20/41/78/491204178.db2.gz UGMJRGQCSLJDJW-INMHGKMJSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000108562657 488519675 /nfs/dbraw/zinc/51/96/75/488519675.db2.gz HYIRRZUFVUURGF-DOTOQJQBSA-N 2 0 356.536 0.835 20 0 FCADRP COc1cc(OC)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000261626424 488527873 /nfs/dbraw/zinc/52/78/73/488527873.db2.gz GVZNMXGCVDVJTB-ZDUSSCGKSA-N 2 0 351.447 0.999 20 0 FCADRP O=C(CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705316 488532043 /nfs/dbraw/zinc/53/20/43/488532043.db2.gz PDMOJMBVGNFVLD-VXGBXAGGSA-N 2 0 350.385 0.245 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261847631 488538720 /nfs/dbraw/zinc/53/87/20/488538720.db2.gz MDWASASEQYXCCZ-RDJZCZTQSA-N 2 0 369.469 0.775 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)C[C@@H](C)O1 ZINC000114018669 488539081 /nfs/dbraw/zinc/53/90/81/488539081.db2.gz CSIJUXHGHGKZOH-HZPDHXFCSA-N 2 0 356.511 0.896 20 0 FCADRP O=C(CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916531 488541806 /nfs/dbraw/zinc/54/18/06/488541806.db2.gz UNOBSQHLCLXBCP-IRXDYDNUSA-N 2 0 359.474 0.278 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000115816794 488545670 /nfs/dbraw/zinc/54/56/70/488545670.db2.gz FAJDOKIZPSAGPY-IAGOWNOFSA-N 2 0 367.538 0.912 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000262066268 488548786 /nfs/dbraw/zinc/54/87/86/488548786.db2.gz SBEWLNUCJZXPNS-HUUCEWRRSA-N 2 0 356.392 0.653 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262107599 488550706 /nfs/dbraw/zinc/55/07/06/488550706.db2.gz MJWIXFMHAXHSFZ-QGZVFWFLSA-N 2 0 358.486 0.950 20 0 FCADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000262221173 488558167 /nfs/dbraw/zinc/55/81/67/488558167.db2.gz UOAOGBVXJKRUHA-MRXNPFEDSA-N 2 0 359.474 0.862 20 0 FCADRP CNS(=O)(=O)c1ccccc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262257844 488560197 /nfs/dbraw/zinc/56/01/97/488560197.db2.gz QWZJQFJLXRDZLN-UHFFFAOYSA-N 2 0 352.504 0.716 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC2(CO)COC2)CC1 ZINC000120272209 488560603 /nfs/dbraw/zinc/56/06/03/488560603.db2.gz RQIBDTFAJKRTMF-UHFFFAOYSA-N 2 0 353.507 0.700 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000121129508 488565270 /nfs/dbraw/zinc/56/52/70/488565270.db2.gz KEQKDZPCXQEVRI-WMZOPIPTSA-N 2 0 358.527 0.735 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262352843 488565448 /nfs/dbraw/zinc/56/54/48/488565448.db2.gz FKUOODCPUMJIFF-ZDUSSCGKSA-N 2 0 358.364 0.471 20 0 FCADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262431158 488570285 /nfs/dbraw/zinc/57/02/85/488570285.db2.gz BQNVFRXYVHPVRI-PKOBYXMFSA-N 2 0 361.486 0.897 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262637598 488583651 /nfs/dbraw/zinc/58/36/51/488583651.db2.gz QFZUWASOWOVTJW-IXDOHACOSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCCCOCCO)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272689163 488597954 /nfs/dbraw/zinc/59/79/54/488597954.db2.gz VEDVCUDKECFADC-UHFFFAOYSA-N 2 0 365.478 0.292 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000554585262 491211284 /nfs/dbraw/zinc/21/12/84/491211284.db2.gz XIBHANBVOQNDDH-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000563061555 491211553 /nfs/dbraw/zinc/21/15/53/491211553.db2.gz MJAYQRYEULZZOW-MRXNPFEDSA-N 2 0 362.478 0.215 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263265326 488608580 /nfs/dbraw/zinc/60/85/80/488608580.db2.gz UZJWCOOIGUPXFP-DAYGRLMNSA-N 2 0 368.522 0.434 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000129172049 488629338 /nfs/dbraw/zinc/62/93/38/488629338.db2.gz GIKLFIOLSDDTTE-QGZVFWFLSA-N 2 0 352.523 0.630 20 0 FCADRP CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C(C)(C)C1=O ZINC000129845007 488634034 /nfs/dbraw/zinc/63/40/34/488634034.db2.gz MQEBXGTWCZZVKF-UHFFFAOYSA-N 2 0 359.474 0.673 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000132999055 488656494 /nfs/dbraw/zinc/65/64/94/488656494.db2.gz NAUHZXQEIGSKKE-UHFFFAOYSA-N 2 0 373.523 0.349 20 0 FCADRP C[NH+](C)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000133641563 488660880 /nfs/dbraw/zinc/66/08/80/488660880.db2.gz XYQKHDPQQNSTQX-KRWDZBQOSA-N 2 0 361.490 0.745 20 0 FCADRP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136247259 488677261 /nfs/dbraw/zinc/67/72/61/488677261.db2.gz JQAADNHUXCEMGE-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000136387787 488677706 /nfs/dbraw/zinc/67/77/06/488677706.db2.gz SAHDLHBKJGKSDI-INIZCTEOSA-N 2 0 351.495 0.419 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000264488698 488678528 /nfs/dbraw/zinc/67/85/28/488678528.db2.gz PFKHQDIKRMZLCT-IRXDYDNUSA-N 2 0 361.490 0.928 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000138616499 488682678 /nfs/dbraw/zinc/68/26/78/488682678.db2.gz KSLBYWIPKQYZSP-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000139958264 488686287 /nfs/dbraw/zinc/68/62/87/488686287.db2.gz FBLKFSBBCGZASQ-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698448 488699805 /nfs/dbraw/zinc/69/98/05/488699805.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 0 359.518 0.978 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CC[N@H+](C)CC1 ZINC000554630648 491214072 /nfs/dbraw/zinc/21/40/72/491214072.db2.gz XOCRAVTWUUXIRM-HNNXBMFYSA-N 2 0 350.507 0.991 20 0 FCADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000151845274 488710669 /nfs/dbraw/zinc/71/06/69/488710669.db2.gz QJBOWERMXMPBEC-AWEZNQCLSA-N 2 0 355.504 0.950 20 0 FCADRP COc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000274605390 488722725 /nfs/dbraw/zinc/72/27/25/488722725.db2.gz ODHOWZQXGRIQGD-UHFFFAOYSA-N 2 0 358.446 0.766 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000274690541 488727641 /nfs/dbraw/zinc/72/76/41/488727641.db2.gz UTOKBDRXKAIPSW-UHFFFAOYSA-N 2 0 353.467 0.135 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000153929574 488736518 /nfs/dbraw/zinc/73/65/18/488736518.db2.gz GXFQQMNZLGGZMV-ROUUACIJSA-N 2 0 352.523 0.726 20 0 FCADRP CC(C)(CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000570146615 491219609 /nfs/dbraw/zinc/21/96/09/491219609.db2.gz DVZDAXGGXDTAEC-UHFFFAOYSA-N 2 0 373.501 0.554 20 0 FCADRP CCOC(=O)N1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158737938 488780054 /nfs/dbraw/zinc/78/00/54/488780054.db2.gz NYAGCYOEYVWWDK-CVEARBPZSA-N 2 0 352.479 0.703 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000159338973 488784574 /nfs/dbraw/zinc/78/45/74/488784574.db2.gz QFSOJPZGSUBMKO-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000162533227 488803085 /nfs/dbraw/zinc/80/30/85/488803085.db2.gz YDMFTINJXCUPJG-OAHLLOKOSA-N 2 0 354.520 0.883 20 0 FCADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162578628 488803360 /nfs/dbraw/zinc/80/33/60/488803360.db2.gz UOADSAHFDAHKEZ-HNNXBMFYSA-N 2 0 354.520 0.883 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000171236426 488821171 /nfs/dbraw/zinc/82/11/71/488821171.db2.gz VYDXOIYGZQCIMG-UHFFFAOYSA-N 2 0 367.515 0.850 20 0 FCADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCN(C)CC1 ZINC000174918417 488852077 /nfs/dbraw/zinc/85/20/77/488852077.db2.gz TVXOJPIMMPJSNH-INIZCTEOSA-N 2 0 355.527 0.280 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176085451 488857260 /nfs/dbraw/zinc/85/72/60/488857260.db2.gz CTZBUOUMSJQEAC-UHFFFAOYSA-N 2 0 350.463 0.690 20 0 FCADRP CC[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000554797002 491225771 /nfs/dbraw/zinc/22/57/71/491225771.db2.gz UYEBROSDFRINRE-IRXDYDNUSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(NCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364708449 488989607 /nfs/dbraw/zinc/98/96/07/488989607.db2.gz SKTYYWUCPRHJDJ-KRWDZBQOSA-N 2 0 353.511 0.178 20 0 FCADRP O=C(NCC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364708450 488989970 /nfs/dbraw/zinc/98/99/70/488989970.db2.gz SKTYYWUCPRHJDJ-QGZVFWFLSA-N 2 0 353.511 0.178 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000364751884 488996470 /nfs/dbraw/zinc/99/64/70/488996470.db2.gz VQYAWQGSWIEBSI-QGZVFWFLSA-N 2 0 359.474 0.955 20 0 FCADRP C[N@H+](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000329405306 489001481 /nfs/dbraw/zinc/00/14/81/489001481.db2.gz BUWFMKWFTHMZJP-HNNXBMFYSA-N 2 0 357.520 0.109 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509099 489011466 /nfs/dbraw/zinc/01/14/66/489011466.db2.gz JONJWUMCOHVJPL-IAGOWNOFSA-N 2 0 360.506 0.930 20 0 FCADRP C[C@H](CO)[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916730 489017355 /nfs/dbraw/zinc/01/73/55/489017355.db2.gz OLACQGPJBJNYNY-IEBWSBKVSA-N 2 0 362.518 0.794 20 0 FCADRP C[C@@H]1CN(C(=O)COCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000329718971 489030510 /nfs/dbraw/zinc/03/05/10/489030510.db2.gz ZSUJDTZNFYLNRB-GEEKYZPCSA-N 2 0 354.495 0.105 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280960262 489043969 /nfs/dbraw/zinc/04/39/69/489043969.db2.gz YRQYKJVHFGEEBU-XLIONFOSSA-N 2 0 358.486 0.984 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183470 489047358 /nfs/dbraw/zinc/04/73/58/489047358.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2ccn3ccnc3c2)CCCO1 ZINC000289254605 489053284 /nfs/dbraw/zinc/05/32/84/489053284.db2.gz QHMYDZHIALBJKI-OAHLLOKOSA-N 2 0 373.457 0.568 20 0 FCADRP CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)C(N)=O ZINC000289283581 489055527 /nfs/dbraw/zinc/05/55/27/489055527.db2.gz GMFOGWRYITVROT-LJQANCHMSA-N 2 0 362.474 0.947 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322476 489063593 /nfs/dbraw/zinc/06/35/93/489063593.db2.gz AWMIRSFELNIQOA-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP CN(CCC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)CC[NH+](C)C ZINC000289461598 489069236 /nfs/dbraw/zinc/06/92/36/489069236.db2.gz QDULVXGPHDDVQP-UHFFFAOYSA-N 2 0 372.535 0.528 20 0 FCADRP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C)cn1 ZINC000330115063 489070461 /nfs/dbraw/zinc/07/04/61/489070461.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 0 359.474 0.634 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CCCO1 ZINC000365473335 489078718 /nfs/dbraw/zinc/07/87/18/489078718.db2.gz ZXTKVPYTVIIKRV-IKGGRYGDSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289902547 489101279 /nfs/dbraw/zinc/10/12/79/489101279.db2.gz UIRXUHJWSRQZBV-RDTXWAMCSA-N 2 0 366.531 0.937 20 0 FCADRP CO[C@@H](C[NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000290279954 489127367 /nfs/dbraw/zinc/12/73/67/489127367.db2.gz ZKWUWDYFYZXRKW-KRWDZBQOSA-N 2 0 350.463 0.249 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290415919 489138234 /nfs/dbraw/zinc/13/82/34/489138234.db2.gz JJSADDJFZSOVGC-HZPDHXFCSA-N 2 0 359.474 0.625 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000555040610 491236198 /nfs/dbraw/zinc/23/61/98/491236198.db2.gz SSDBGPBFMOPPDF-AWEZNQCLSA-N 2 0 364.494 0.933 20 0 FCADRP COCC[NH2+]CC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366326616 489171485 /nfs/dbraw/zinc/17/14/85/489171485.db2.gz RBKXMFQXOTZBIK-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000570390061 491237509 /nfs/dbraw/zinc/23/75/09/491237509.db2.gz HASGAIJZAGIQLE-AKBNIOSXSA-N 2 0 357.495 0.072 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366449887 489182758 /nfs/dbraw/zinc/18/27/58/489182758.db2.gz HOCBIKXFDZRFDC-SJORKVTESA-N 2 0 354.495 0.602 20 0 FCADRP CN1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000366465462 489185778 /nfs/dbraw/zinc/18/57/78/489185778.db2.gz XPMSBBYMHQKSHU-ZWKOTPCHSA-N 2 0 366.506 0.602 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000331371325 489202603 /nfs/dbraw/zinc/20/26/03/489202603.db2.gz AZZIPLJSICYPIZ-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000331390184 489205554 /nfs/dbraw/zinc/20/55/54/489205554.db2.gz JQTCLOIRMGZPSK-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000331449715 489213388 /nfs/dbraw/zinc/21/33/88/489213388.db2.gz YZFPJJBYEFCKHJ-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)c2ccccc2)CC1 ZINC000570447127 491241133 /nfs/dbraw/zinc/24/11/33/491241133.db2.gz LCJCDEPIORBRIA-KRWDZBQOSA-N 2 0 371.489 0.345 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000333003137 489255495 /nfs/dbraw/zinc/25/54/95/489255495.db2.gz LOJFFWLTJMITDR-IXDOHACOSA-N 2 0 354.495 0.336 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000298034889 489280253 /nfs/dbraw/zinc/28/02/53/489280253.db2.gz ODLCSBUCBKIEGL-MRXNPFEDSA-N 2 0 364.490 0.970 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369860788 489283842 /nfs/dbraw/zinc/28/38/42/489283842.db2.gz HPWRTSMXFGJVBH-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CO[C@H]1C[C@H]2C(=O)N(CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C(=O)N2C1 ZINC000349303744 489286292 /nfs/dbraw/zinc/28/62/92/489286292.db2.gz AOCGLTRVQBDQBQ-IRXDYDNUSA-N 2 0 373.457 0.645 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000369881669 489286701 /nfs/dbraw/zinc/28/67/01/489286701.db2.gz HTGHBFHKRKXHHO-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000370125696 489317855 /nfs/dbraw/zinc/31/78/55/489317855.db2.gz JTHNIIPMKQXKLT-OKZBNKHCSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1)CN1CCOCC1 ZINC000285867738 489328262 /nfs/dbraw/zinc/32/82/62/489328262.db2.gz KTLSQHNTXVNBIH-LSDHHAIUSA-N 2 0 363.462 0.548 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000285943880 489336515 /nfs/dbraw/zinc/33/65/15/489336515.db2.gz PTGKVXWKAGAQLQ-UHFFFAOYSA-N 2 0 369.469 0.523 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC1=O ZINC000370473937 489364379 /nfs/dbraw/zinc/36/43/79/489364379.db2.gz TZKRMOOWAFNNJU-JOCBIADPSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000286382473 489385544 /nfs/dbraw/zinc/38/55/44/489385544.db2.gz CHCRIRRSPVARBG-HNNXBMFYSA-N 2 0 360.502 0.658 20 0 FCADRP Cn1nccc1N1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563504670 491251700 /nfs/dbraw/zinc/25/17/00/491251700.db2.gz UNFRUYNNYQUJAN-INIZCTEOSA-N 2 0 365.526 0.524 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858862 489402123 /nfs/dbraw/zinc/40/21/23/489402123.db2.gz GTUPVWQLGPLJCE-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000362930409 489406274 /nfs/dbraw/zinc/40/62/74/489406274.db2.gz DOUYMYMMSJAJTJ-DLBZAZTESA-N 2 0 360.458 0.666 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000286739971 489423109 /nfs/dbraw/zinc/42/31/09/489423109.db2.gz HDJSJYAQKUEONA-CKEIUWERSA-N 2 0 362.478 0.913 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617438 491258822 /nfs/dbraw/zinc/25/88/22/491258822.db2.gz DRRPTNAXOUCQED-AKHDSKFASA-N 2 0 356.555 0.320 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000563626238 491259040 /nfs/dbraw/zinc/25/90/40/491259040.db2.gz WHKUGTJTGLHVSY-KRWDZBQOSA-N 2 0 374.466 0.749 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394465 489462287 /nfs/dbraw/zinc/46/22/87/489462287.db2.gz AQJOZIUNCKAYNK-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNS(=O)(=O)CC[NH+]1CCCC1 ZINC000563564147 491255273 /nfs/dbraw/zinc/25/52/73/491255273.db2.gz GHYHROMHWYGQMV-UHFFFAOYSA-N 2 0 356.492 0.537 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000563570884 491255612 /nfs/dbraw/zinc/25/56/12/491255612.db2.gz XUCAWYXDHWZIGC-QGZVFWFLSA-N 2 0 365.522 0.572 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000371527938 489486979 /nfs/dbraw/zinc/48/69/79/489486979.db2.gz YQENHUCITYOZGQ-FGTMMUONSA-N 2 0 358.486 0.611 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558159 489488127 /nfs/dbraw/zinc/48/81/27/489488127.db2.gz PIELFGUUAUCHCW-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423094568 489492914 /nfs/dbraw/zinc/49/29/14/489492914.db2.gz KKKIISKYWLRBIE-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000563600555 491257045 /nfs/dbraw/zinc/25/70/45/491257045.db2.gz GRNAEBLQKUAAMP-SJLPKXTDSA-N 2 0 354.495 0.509 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423135449 489496339 /nfs/dbraw/zinc/49/63/39/489496339.db2.gz UAZZRMIHLZODSN-KRWDZBQOSA-N 2 0 369.554 0.303 20 0 FCADRP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423148119 489496978 /nfs/dbraw/zinc/49/69/78/489496978.db2.gz UJMAEKGRSRCNGA-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423150021 489497382 /nfs/dbraw/zinc/49/73/82/489497382.db2.gz YLIHAOIUXHYFGJ-ZWKOTPCHSA-N 2 0 374.485 0.296 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423163321 489498290 /nfs/dbraw/zinc/49/82/90/489498290.db2.gz MOZZKHLQOCIATO-QGZVFWFLSA-N 2 0 361.490 0.572 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423170282 489498957 /nfs/dbraw/zinc/49/89/57/489498957.db2.gz XRQBEHOMVBJRTN-ZWKOTPCHSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000423170436 489499616 /nfs/dbraw/zinc/49/96/16/489499616.db2.gz LWODEUJRAQPREF-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423173379 489499794 /nfs/dbraw/zinc/49/97/94/489499794.db2.gz YGSQHKINEFEWGK-OAHLLOKOSA-N 2 0 354.495 0.143 20 0 FCADRP CC1[C@@H](C(=O)NCC[NH+]2CC=CCC2)[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000451354652 489500326 /nfs/dbraw/zinc/50/03/26/489500326.db2.gz SBUGDLCGEIMZDH-QZTJIDSGSA-N 2 0 360.502 0.625 20 0 FCADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187746 489500872 /nfs/dbraw/zinc/50/08/72/489500872.db2.gz PKHUWIUNFGWZLE-QGZVFWFLSA-N 2 0 352.504 0.596 20 0 FCADRP C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201019 489501993 /nfs/dbraw/zinc/50/19/93/489501993.db2.gz GYVXYMGKWSTZKV-ZBFHGGJFSA-N 2 0 354.520 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C[C@H]1[NH3+] ZINC000423201998 489502236 /nfs/dbraw/zinc/50/22/36/489502236.db2.gz JZNVAHVGGZFCAY-MLGOLLRUSA-N 2 0 368.428 0.661 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000423209499 489502735 /nfs/dbraw/zinc/50/27/35/489502735.db2.gz UXHPXTNPMFIIAY-MRXNPFEDSA-N 2 0 350.438 0.536 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000563627440 491259736 /nfs/dbraw/zinc/25/97/36/491259736.db2.gz ALXJAKYLYQVGDY-QAPCUYQASA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423272836 489509992 /nfs/dbraw/zinc/50/99/92/489509992.db2.gz ZNUMCGJSNKXGNR-JKSUJKDBSA-N 2 0 356.511 0.389 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000423282280 489511522 /nfs/dbraw/zinc/51/15/22/489511522.db2.gz WJBUAWDRFPBOQC-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)CC1 ZINC000423304211 489513255 /nfs/dbraw/zinc/51/32/55/489513255.db2.gz NOMTWWZFTCCMRW-ODZFXCKXSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000423305106 489513489 /nfs/dbraw/zinc/51/34/89/489513489.db2.gz BBBXYJREIHTUTF-JFIYKMOQSA-N 2 0 358.486 0.915 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)CC1 ZINC000423304213 489513558 /nfs/dbraw/zinc/51/35/58/489513558.db2.gz NOMTWWZFTCCMRW-XGHPGWEVSA-N 2 0 350.507 0.905 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000371822500 489513878 /nfs/dbraw/zinc/51/38/78/489513878.db2.gz KYQHFYPSYLZHOJ-UHFFFAOYSA-N 2 0 365.522 0.666 20 0 FCADRP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371833460 489515322 /nfs/dbraw/zinc/51/53/22/489515322.db2.gz ABMZXPXMEZCSMC-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415373557 489515947 /nfs/dbraw/zinc/51/59/47/489515947.db2.gz WSYJDLVUEYNJNX-UHFFFAOYSA-N 2 0 364.515 0.942 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000563633969 491260076 /nfs/dbraw/zinc/26/00/76/491260076.db2.gz BLNQVPNDXDVBCV-VXGBXAGGSA-N 2 0 365.400 0.214 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415449284 489522467 /nfs/dbraw/zinc/52/24/67/489522467.db2.gz IJAXBZBLXNTTOM-CQSZACIVSA-N 2 0 354.426 0.804 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CC1 ZINC000415539052 489527707 /nfs/dbraw/zinc/52/77/07/489527707.db2.gz LEJADCVORYRNLJ-KRWDZBQOSA-N 2 0 359.474 0.226 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CC1 ZINC000415539519 489528071 /nfs/dbraw/zinc/52/80/71/489528071.db2.gz MJPPXFREVUUPRB-KRWDZBQOSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000415577734 489532244 /nfs/dbraw/zinc/53/22/44/489532244.db2.gz ZCXSHJJNXZFQSM-CVEARBPZSA-N 2 0 373.501 0.581 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000451995974 489536447 /nfs/dbraw/zinc/53/64/47/489536447.db2.gz XPQKTPJYNIEUDE-UHFFFAOYSA-N 2 0 353.511 0.713 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115697 489547183 /nfs/dbraw/zinc/54/71/83/489547183.db2.gz IPKHZQHPDITWDR-WMZOPIPTSA-N 2 0 352.523 0.772 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000415811482 489554084 /nfs/dbraw/zinc/55/40/84/489554084.db2.gz AREMDZVISDXDKL-AEFFLSMTSA-N 2 0 371.485 0.193 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415826126 489556334 /nfs/dbraw/zinc/55/63/34/489556334.db2.gz ZVPTYGXNBWJIQB-GJZGRUSLSA-N 2 0 368.441 1.054 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1[NH3+] ZINC000415830393 489556520 /nfs/dbraw/zinc/55/65/20/489556520.db2.gz DRJAROQSEPVFKY-UKRRQHHQSA-N 2 0 362.499 0.980 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870550 489562047 /nfs/dbraw/zinc/56/20/47/489562047.db2.gz TVRBGFPMFSMRMG-MAUKXSAKSA-N 2 0 374.485 0.962 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005278 489567347 /nfs/dbraw/zinc/56/73/47/489567347.db2.gz JMHZBSYIXHFZHN-CHWSQXEVSA-N 2 0 353.433 0.839 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426550021 489574589 /nfs/dbraw/zinc/57/45/89/489574589.db2.gz VNRGSMIUZXRKLY-HZPDHXFCSA-N 2 0 354.495 0.120 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000372399197 489581114 /nfs/dbraw/zinc/58/11/14/489581114.db2.gz DMOZRAPTDIRDDF-KRWDZBQOSA-N 2 0 374.466 0.577 20 0 FCADRP COc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000426899748 489585797 /nfs/dbraw/zinc/58/57/97/489585797.db2.gz XWXPHXHTFUTJFK-HUUCEWRRSA-N 2 0 363.510 0.941 20 0 FCADRP COc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000426902000 489585956 /nfs/dbraw/zinc/58/59/56/489585956.db2.gz ZLTYHRFQVFMFGM-LXTVHRRPSA-N 2 0 363.510 0.513 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)n2)CC1 ZINC000427313999 489602522 /nfs/dbraw/zinc/60/25/22/489602522.db2.gz LEQCGEKITCHGDL-HOCLYGCPSA-N 2 0 374.489 0.641 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccc1F ZINC000555708066 491267110 /nfs/dbraw/zinc/26/71/10/491267110.db2.gz FUNXHIBHPLWYDX-UHFFFAOYSA-N 2 0 352.454 0.436 20 0 FCADRP COc1ccc([C@H](CNC(=O)N(CC[NH3+])CCO)[NH+](C)C)cc1OC ZINC000416822638 489630483 /nfs/dbraw/zinc/63/04/83/489630483.db2.gz XMPMAGSYRWSNIQ-AWEZNQCLSA-N 2 0 354.451 0.269 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000416946822 489635479 /nfs/dbraw/zinc/63/54/79/489635479.db2.gz XQPCMWDNEMSMQV-HNNXBMFYSA-N 2 0 353.511 0.603 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417008078 489637941 /nfs/dbraw/zinc/63/79/41/489637941.db2.gz ICUQVMDKEIZVMI-MRXNPFEDSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000417154870 489643973 /nfs/dbraw/zinc/64/39/73/489643973.db2.gz LBUFTJJNZWWDCZ-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000417331409 489648697 /nfs/dbraw/zinc/64/86/97/489648697.db2.gz WGQYRZYGKFBHMY-ZDUSSCGKSA-N 2 0 356.421 0.615 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1=O ZINC000428543956 489652913 /nfs/dbraw/zinc/65/29/13/489652913.db2.gz IWBWCWZCPYSBOU-AEFFLSMTSA-N 2 0 374.485 0.602 20 0 FCADRP [NH3+][C@@H](CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000417516747 489657072 /nfs/dbraw/zinc/65/70/72/489657072.db2.gz OMFDNUMONRRPHJ-INIZCTEOSA-N 2 0 361.494 0.415 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542250 489657533 /nfs/dbraw/zinc/65/75/33/489657533.db2.gz DHAVVUVENRVNHS-QAPCUYQASA-N 2 0 373.501 0.887 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000417543685 489657725 /nfs/dbraw/zinc/65/77/25/489657725.db2.gz GHUOZRRLQSKRBI-QZTJIDSGSA-N 2 0 373.501 0.935 20 0 FCADRP CC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417544405 489657744 /nfs/dbraw/zinc/65/77/44/489657744.db2.gz HOUODUFWKJLQSK-KRWDZBQOSA-N 2 0 361.490 0.793 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582719 489658844 /nfs/dbraw/zinc/65/88/44/489658844.db2.gz JFDFSSLUYKBHEK-KBPBESRZSA-N 2 0 365.444 0.996 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417753361 489664563 /nfs/dbraw/zinc/66/45/63/489664563.db2.gz OLKPJLPTMCDJGY-SJORKVTESA-N 2 0 356.511 0.883 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417798818 489665708 /nfs/dbraw/zinc/66/57/08/489665708.db2.gz ASYSMOPKLJMLCZ-UHFFFAOYSA-N 2 0 355.527 0.470 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417821822 489667578 /nfs/dbraw/zinc/66/75/78/489667578.db2.gz WKIRNBJYMCWMCV-CYBMUJFWSA-N 2 0 353.433 0.854 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000563804475 491269960 /nfs/dbraw/zinc/26/99/60/491269960.db2.gz OJVLPDNXUCEYMF-TWMKSMIVSA-N 2 0 366.506 0.284 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417857428 489669100 /nfs/dbraw/zinc/66/91/00/489669100.db2.gz XYANEASBLPZYMK-HNNXBMFYSA-N 2 0 353.511 0.650 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417945817 489673343 /nfs/dbraw/zinc/67/33/43/489673343.db2.gz XXTPIGKNMOICCO-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458193289 489673421 /nfs/dbraw/zinc/67/34/21/489673421.db2.gz FPGCPXRHDCMVGD-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458239469 489674814 /nfs/dbraw/zinc/67/48/14/489674814.db2.gz MSDMPRJSUSBHRZ-IYBDPMFKSA-N 2 0 356.511 0.584 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000418055689 489676402 /nfs/dbraw/zinc/67/64/02/489676402.db2.gz IZWKVXHOEDGODO-LJQANCHMSA-N 2 0 359.518 0.980 20 0 FCADRP [NH3+]CCN(CCO)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418075437 489678113 /nfs/dbraw/zinc/67/81/13/489678113.db2.gz PRDZSWWQLDJBCG-KRWDZBQOSA-N 2 0 350.463 0.240 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458354963 489678723 /nfs/dbraw/zinc/67/87/23/489678723.db2.gz IGPMFMSKYVQKNC-IYBDPMFKSA-N 2 0 370.538 0.972 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000458372306 489679526 /nfs/dbraw/zinc/67/95/26/489679526.db2.gz QQRNVPBOFQBUKZ-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418198902 489684749 /nfs/dbraw/zinc/68/47/49/489684749.db2.gz MMVYSFOEZLBGHO-HOTGVXAUSA-N 2 0 353.511 0.569 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000418288488 489688882 /nfs/dbraw/zinc/68/88/82/489688882.db2.gz IGWXEIREEAJYSX-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000418358602 489693340 /nfs/dbraw/zinc/69/33/40/489693340.db2.gz ZEJALGOBIKHGHE-XQQFMLRXSA-N 2 0 351.417 0.510 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418360634 489693604 /nfs/dbraw/zinc/69/36/04/489693604.db2.gz GFRWTEXJRWJFNC-INIZCTEOSA-N 2 0 361.490 0.821 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709372 489696840 /nfs/dbraw/zinc/69/68/40/489696840.db2.gz CSLVSFRGSVGOHX-IAGOWNOFSA-N 2 0 356.511 0.633 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418412290 489697391 /nfs/dbraw/zinc/69/73/91/489697391.db2.gz PXVPJIDNMDIBMB-AVGNSLFASA-N 2 0 351.417 0.639 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000418439418 489698355 /nfs/dbraw/zinc/69/83/55/489698355.db2.gz NTWCTLLSLVQMCT-UHFFFAOYSA-N 2 0 360.466 0.712 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC(C)(C)C[NH+](C)C)C2 ZINC000458749913 489700229 /nfs/dbraw/zinc/70/02/29/489700229.db2.gz HFGDCPHMAHKJTD-GOOCMWNKSA-N 2 0 353.511 0.709 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418482707 489701098 /nfs/dbraw/zinc/70/10/98/489701098.db2.gz BISVCOXPKBTFNJ-QZTJIDSGSA-N 2 0 364.490 0.405 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418557676 489706787 /nfs/dbraw/zinc/70/67/87/489706787.db2.gz WVWYCBKQLVATTE-GOSISDBHSA-N 2 0 353.511 0.572 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418557413 489706960 /nfs/dbraw/zinc/70/69/60/489706960.db2.gz AYOUTLPPXJAZGB-RKLWJJNISA-N 2 0 354.401 0.290 20 0 FCADRP CN1C(=O)N[C@@]2(CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1=O ZINC000563852408 491272665 /nfs/dbraw/zinc/27/26/65/491272665.db2.gz FPYZFXIMRLFOKU-LJQANCHMSA-N 2 0 358.442 0.645 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418618907 489710809 /nfs/dbraw/zinc/71/08/09/489710809.db2.gz PCAYXSHWTKYXMK-AWEZNQCLSA-N 2 0 365.444 0.854 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418637340 489714823 /nfs/dbraw/zinc/71/48/23/489714823.db2.gz NIHTZNIBWIZMOW-GOSISDBHSA-N 2 0 355.527 0.470 20 0 FCADRP CCC[C@H]1CN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418660016 489716672 /nfs/dbraw/zinc/71/66/72/489716672.db2.gz WRLFDAXVVRCHGB-FUHWJXTLSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)COC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570923862 491273739 /nfs/dbraw/zinc/27/37/39/491273739.db2.gz VYNDISGKRFQBNE-LJQANCHMSA-N 2 0 360.502 0.860 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418676769 489717391 /nfs/dbraw/zinc/71/73/91/489717391.db2.gz ZTHXZDNAUIYNAX-AEFFLSMTSA-N 2 0 367.538 0.862 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000459152760 489720676 /nfs/dbraw/zinc/72/06/76/489720676.db2.gz JDRBWOSGGXZIAK-QGZVFWFLSA-N 2 0 365.522 0.809 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418772209 489724973 /nfs/dbraw/zinc/72/49/73/489724973.db2.gz SMFZMQOCIHABJQ-QGZVFWFLSA-N 2 0 354.495 0.509 20 0 FCADRP Cn1c2ncn(CC[N@H+](CCC[NH3+])CC3CCCC3)c2c(=O)n(C)c1=O ZINC000489856319 489731941 /nfs/dbraw/zinc/73/19/41/489731941.db2.gz JVKWYPSJSCBKOH-UHFFFAOYSA-N 2 0 362.478 0.275 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000418826673 489741668 /nfs/dbraw/zinc/74/16/68/489741668.db2.gz GHNBUXWDACKUEB-ZIAGYGMSSA-N 2 0 352.504 0.973 20 0 FCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000430571653 489747237 /nfs/dbraw/zinc/74/72/37/489747237.db2.gz OQCBZBAGZOPEAU-CYBMUJFWSA-N 2 0 350.467 0.129 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000418839128 489748802 /nfs/dbraw/zinc/74/88/02/489748802.db2.gz DBRSFPIFLMMQBE-IRXDYDNUSA-N 2 0 360.458 0.126 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC000418839696 489750224 /nfs/dbraw/zinc/75/02/24/489750224.db2.gz DJJZXWXXFDLKLL-HOTGVXAUSA-N 2 0 350.463 0.514 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418839958 489750262 /nfs/dbraw/zinc/75/02/62/489750262.db2.gz DVYMRVQYZQDUGG-YOEHRIQHSA-N 2 0 362.474 0.530 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C)c1 ZINC000418839675 489750374 /nfs/dbraw/zinc/75/03/74/489750374.db2.gz DIJOUPVXRFNTTP-DOTOQJQBSA-N 2 0 364.490 0.904 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000570991089 491278647 /nfs/dbraw/zinc/27/86/47/491278647.db2.gz TXQDWFYYGDVKCC-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608212 489752370 /nfs/dbraw/zinc/75/23/70/489752370.db2.gz DTBFLYKDOFQQFR-HOCLYGCPSA-N 2 0 362.474 0.487 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613241 489753762 /nfs/dbraw/zinc/75/37/62/489753762.db2.gz UUJGIILNMIMCFB-BFYDXBDKSA-N 2 0 374.485 0.802 20 0 FCADRP [NH3+]CC1CC[NH+](CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000430613947 489753770 /nfs/dbraw/zinc/75/37/70/489753770.db2.gz XVORRFRWXOCQGV-UHFFFAOYSA-N 2 0 360.502 0.806 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000474313370 489753894 /nfs/dbraw/zinc/75/38/94/489753894.db2.gz BVUXRRDIUNETSR-UHFFFAOYSA-N 2 0 370.497 0.755 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474317733 489754877 /nfs/dbraw/zinc/75/48/77/489754877.db2.gz XZOHPSPRUSIQBW-VBNZEHGJSA-N 2 0 366.412 0.395 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000418849167 489755409 /nfs/dbraw/zinc/75/54/09/489755409.db2.gz CSAVKTXJIAGBHJ-AEFFLSMTSA-N 2 0 374.485 0.898 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418850171 489755832 /nfs/dbraw/zinc/75/58/32/489755832.db2.gz DTFAXKVFMXDSIW-PBHICJAKSA-N 2 0 362.474 0.659 20 0 FCADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624232 489756694 /nfs/dbraw/zinc/75/66/94/489756694.db2.gz OFKXAUBYTYLFKK-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]1CCCC1 ZINC000418852571 489757704 /nfs/dbraw/zinc/75/77/04/489757704.db2.gz RCZTYHUKUHWTII-ZBFHGGJFSA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626820 489757896 /nfs/dbraw/zinc/75/78/96/489757896.db2.gz SHRREHLPTIUKHF-INIZCTEOSA-N 2 0 374.485 0.761 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000418852534 489757911 /nfs/dbraw/zinc/75/79/11/489757911.db2.gz QYOCFZSEXRIVPN-WBVHZDCISA-N 2 0 374.485 0.817 20 0 FCADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631181 489758872 /nfs/dbraw/zinc/75/88/72/489758872.db2.gz UFRAWGKODSBVLF-SFHVURJKSA-N 2 0 358.486 0.755 20 0 FCADRP C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH2+]CC1 ZINC000430634766 489759148 /nfs/dbraw/zinc/75/91/48/489759148.db2.gz SVIVGLSKPHIFBR-UHFFFAOYSA-N 2 0 358.442 0.426 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@@H]1C[NH3+] ZINC000418856947 489760251 /nfs/dbraw/zinc/76/02/51/489760251.db2.gz XXONSULOAYHVRN-BPQIPLTHSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430638456 489760886 /nfs/dbraw/zinc/76/08/86/489760886.db2.gz NGYWKHVJCQSQGW-GFCCVEGCSA-N 2 0 366.487 0.282 20 0 FCADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430646511 489762163 /nfs/dbraw/zinc/76/21/63/489762163.db2.gz WHXICVLVXDKXBI-QGZVFWFLSA-N 2 0 362.474 0.236 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418866807 489765876 /nfs/dbraw/zinc/76/58/76/489765876.db2.gz UCBWRESWLQJDBF-KMFMINBZSA-N 2 0 362.474 0.610 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430711091 489766081 /nfs/dbraw/zinc/76/60/81/489766081.db2.gz VNHIGJYIAOZXAB-UHFFFAOYSA-N 2 0 364.494 0.822 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430732408 489767531 /nfs/dbraw/zinc/76/75/31/489767531.db2.gz AZNVDQSVHIWVAJ-GOSISDBHSA-N 2 0 374.485 0.507 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871083 489767896 /nfs/dbraw/zinc/76/78/96/489767896.db2.gz ZLHRPUUOXZOWMF-FXAWDEMLSA-N 2 0 358.486 0.883 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000418874526 489768649 /nfs/dbraw/zinc/76/86/49/489768649.db2.gz ZYVWTTYIAWOXNA-CVEARBPZSA-N 2 0 368.522 0.498 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)c1 ZINC000418880270 489772582 /nfs/dbraw/zinc/77/25/82/489772582.db2.gz VAZSYBSUVRVLAK-INIZCTEOSA-N 2 0 362.474 0.802 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418881646 489773567 /nfs/dbraw/zinc/77/35/67/489773567.db2.gz XSXAFXYKDVYDMW-ROUUACIJSA-N 2 0 360.502 0.781 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430880598 489774129 /nfs/dbraw/zinc/77/41/29/489774129.db2.gz USSOAALCAVHPDW-HOTGVXAUSA-N 2 0 360.458 0.701 20 0 FCADRP COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430920725 489777035 /nfs/dbraw/zinc/77/70/35/489777035.db2.gz WBCFYWFKFVPKLX-CQSZACIVSA-N 2 0 362.474 0.963 20 0 FCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430933026 489778538 /nfs/dbraw/zinc/77/85/38/489778538.db2.gz IMXFJFFHQVWKPT-LBPRGKRZSA-N 2 0 354.476 0.592 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000430941205 489779486 /nfs/dbraw/zinc/77/94/86/489779486.db2.gz UXKNWZFXGLLFNF-SJORKVTESA-N 2 0 352.523 0.807 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000459891307 489782689 /nfs/dbraw/zinc/78/26/89/489782689.db2.gz BBJJZYCOHJSNQN-HOTGVXAUSA-N 2 0 368.522 0.354 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459894669 489783860 /nfs/dbraw/zinc/78/38/60/489783860.db2.gz IRJXHCQFHHXCQF-OALUTQOASA-N 2 0 372.513 0.987 20 0 FCADRP COc1cc2c(cc1OC)CN(CCNC(=O)[C@H]1CSCN1)CC2 ZINC000431055287 489786118 /nfs/dbraw/zinc/78/61/18/489786118.db2.gz HOMQITGNRSROPZ-CQSZACIVSA-N 2 0 351.472 0.841 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000418911853 489787221 /nfs/dbraw/zinc/78/72/21/489787221.db2.gz CBDWGSFZKSFYQB-BZUAXINKSA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000418928232 489793898 /nfs/dbraw/zinc/79/38/98/489793898.db2.gz URBFDGQKUOJWJO-ARFHVFGLSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000418928235 489794296 /nfs/dbraw/zinc/79/42/96/489794296.db2.gz URBFDGQKUOJWJO-BZUAXINKSA-N 2 0 354.495 0.188 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418929600 489794326 /nfs/dbraw/zinc/79/43/26/489794326.db2.gz CVDRYFWMUOQTJQ-UHFFFAOYSA-N 2 0 368.522 0.642 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418942233 489798421 /nfs/dbraw/zinc/79/84/21/489798421.db2.gz ASEKDJQJENSZHO-NKKGCODLSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941815 489798766 /nfs/dbraw/zinc/79/87/66/489798766.db2.gz WKSRAIILFADLQZ-HZPDHXFCSA-N 2 0 368.522 0.988 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccco1 ZINC000418947622 489800253 /nfs/dbraw/zinc/80/02/53/489800253.db2.gz SPSJWGYHDPPKAV-RRFJBIMHSA-N 2 0 350.463 0.974 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)c1ccco1 ZINC000418947596 489800668 /nfs/dbraw/zinc/80/06/68/489800668.db2.gz SOBLCZPTJKOUGK-HUUCEWRRSA-N 2 0 350.463 0.847 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000418955609 489803150 /nfs/dbraw/zinc/80/31/50/489803150.db2.gz XZJMDZNRMSLZHW-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418970104 489807479 /nfs/dbraw/zinc/80/74/79/489807479.db2.gz WCHDMDIFSBTAKO-RPCCPQHDSA-N 2 0 362.449 0.678 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459994355 489812328 /nfs/dbraw/zinc/81/23/28/489812328.db2.gz UWLSSNVMZGIJFD-QGZVFWFLSA-N 2 0 367.538 0.023 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419005940 489815505 /nfs/dbraw/zinc/81/55/05/489815505.db2.gz SCIYZRLEFHFJFU-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005017 489815518 /nfs/dbraw/zinc/81/55/18/489815518.db2.gz RKUHUFALVYBTFC-CABCVRRESA-N 2 0 354.495 0.454 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419024773 489822762 /nfs/dbraw/zinc/82/27/62/489822762.db2.gz LANVJDDPBJQJSA-ZHCJQAHYSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419027941 489824132 /nfs/dbraw/zinc/82/41/32/489824132.db2.gz PGKBZZAVOKJRFH-QXSJWSMHSA-N 2 0 352.523 0.973 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419034446 489827794 /nfs/dbraw/zinc/82/77/94/489827794.db2.gz MZQUDAIZGWIJNM-OAHLLOKOSA-N 2 0 368.547 0.804 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419038927 489828997 /nfs/dbraw/zinc/82/89/97/489828997.db2.gz ULIWIFFMHPVHHK-HNNXBMFYSA-N 2 0 368.547 0.723 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000419040144 489829928 /nfs/dbraw/zinc/82/99/28/489829928.db2.gz MDHSTXUGNMSKEK-PMPSAXMXSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000419045982 489833282 /nfs/dbraw/zinc/83/32/82/489833282.db2.gz WZTPNJWLGVVXMS-PMPSAXMXSA-N 2 0 356.511 0.339 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050700 489835141 /nfs/dbraw/zinc/83/51/41/489835141.db2.gz YUYCRGTWOQHONG-HPBDAGMYSA-N 2 0 356.470 0.758 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419068174 489843600 /nfs/dbraw/zinc/84/36/00/489843600.db2.gz HHPXSZMDXCUQPI-CRAIPNDOSA-N 2 0 358.486 0.820 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419073854 489846493 /nfs/dbraw/zinc/84/64/93/489846493.db2.gz CXUKXUBKWHPTPE-BZUAXINKSA-N 2 0 354.495 0.332 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1cccc(OC)c1 ZINC000419081772 489848967 /nfs/dbraw/zinc/84/89/67/489848967.db2.gz OWDFNWMZIYGKHG-KRWDZBQOSA-N 2 0 362.474 0.530 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1F ZINC000419101741 489856077 /nfs/dbraw/zinc/85/60/77/489856077.db2.gz CZYFKEAEXVMCHC-GOSISDBHSA-N 2 0 350.438 0.701 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419102280 489856273 /nfs/dbraw/zinc/85/62/73/489856273.db2.gz DRFODKAQWUTZJZ-UHFFFAOYSA-N 2 0 352.454 0.947 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000419107464 489857509 /nfs/dbraw/zinc/85/75/09/489857509.db2.gz KNYDPSMZHRGHPX-LRDDRELGSA-N 2 0 350.438 0.699 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000460264113 489859077 /nfs/dbraw/zinc/85/90/77/489859077.db2.gz VZLUETOURVPOLY-IBGZPJMESA-N 2 0 364.490 0.883 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1F ZINC000419116557 489862788 /nfs/dbraw/zinc/86/27/88/489862788.db2.gz URRARORUVITSKI-OAHLLOKOSA-N 2 0 350.438 0.762 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000476041182 489863964 /nfs/dbraw/zinc/86/39/64/489863964.db2.gz LGFKQSGVQLRWIF-SFHVURJKSA-N 2 0 369.554 0.502 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419121096 489865149 /nfs/dbraw/zinc/86/51/49/489865149.db2.gz ABBWVYSCJCXLBU-CQSZACIVSA-N 2 0 350.488 0.508 20 0 FCADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1S(N)(=O)=O ZINC000433112735 489866758 /nfs/dbraw/zinc/86/67/58/489866758.db2.gz AIDXHFKNKFAVLZ-UHFFFAOYSA-N 2 0 354.476 0.784 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCC(=O)N2CCc3ccccc3C2)CC1 ZINC000433133371 489867598 /nfs/dbraw/zinc/86/75/98/489867598.db2.gz ZFERBNSEDOZGLL-UHFFFAOYSA-N 2 0 358.486 0.891 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433122649 489867663 /nfs/dbraw/zinc/86/76/63/489867663.db2.gz WOPTXGYGBSUEMO-UHFFFAOYSA-N 3 0 353.555 0.580 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166275 489869561 /nfs/dbraw/zinc/86/95/61/489869561.db2.gz XGCZYOSVFBFDPL-UHFFFAOYSA-N 3 0 374.533 0.653 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000494192839 489874514 /nfs/dbraw/zinc/87/45/14/489874514.db2.gz UJRPLHDLXXKAKY-JKSUJKDBSA-N 2 0 364.494 0.944 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993320 489875569 /nfs/dbraw/zinc/87/55/69/489875569.db2.gz FBRGOAMOFKOWJA-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433334987 489876287 /nfs/dbraw/zinc/87/62/87/489876287.db2.gz JQIIVYMRRSPVPL-SJORKVTESA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419995802 489876326 /nfs/dbraw/zinc/87/63/26/489876326.db2.gz IRZFSHQSHQYTIK-KFWWJZLASA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420012955 489880453 /nfs/dbraw/zinc/88/04/53/489880453.db2.gz JKEVYAZGUMLWSF-INMHGKMJSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420012144 489880831 /nfs/dbraw/zinc/88/08/31/489880831.db2.gz ASVSPJZLRJOMGV-IPYPFGDCSA-N 2 0 354.495 0.404 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420018747 489882009 /nfs/dbraw/zinc/88/20/09/489882009.db2.gz PYHDGHDIHHBRJD-HRCADAONSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000420018839 489882600 /nfs/dbraw/zinc/88/26/00/489882600.db2.gz QFXXICKARPIESX-DOTOQJQBSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413178 489882686 /nfs/dbraw/zinc/88/26/86/489882686.db2.gz WASYFEKPLFRIRM-ZWKOTPCHSA-N 2 0 369.554 0.670 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030661 489887195 /nfs/dbraw/zinc/88/71/95/489887195.db2.gz GPWDWFKXPXHSTG-KBUPBQIOSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000433458760 489887231 /nfs/dbraw/zinc/88/72/31/489887231.db2.gz UXJMUPXBTGZDNW-SJORKVTESA-N 2 0 370.538 0.974 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420031622 489887470 /nfs/dbraw/zinc/88/74/70/489887470.db2.gz HKAWPNWRGRTINR-UKRRQHHQSA-N 2 0 354.495 0.548 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420035331 489888210 /nfs/dbraw/zinc/88/82/10/489888210.db2.gz JZONAYJMSQKREO-HUUCEWRRSA-N 2 0 356.511 0.796 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433470149 489888338 /nfs/dbraw/zinc/88/83/38/489888338.db2.gz YGWVWOTXMGEDSS-QZTJIDSGSA-N 2 0 369.554 0.813 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420050588 489893632 /nfs/dbraw/zinc/89/36/32/489893632.db2.gz ZEJJDIAAOQADSN-QLFBSQMISA-N 2 0 354.495 0.406 20 0 FCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000564045415 491285825 /nfs/dbraw/zinc/28/58/25/491285825.db2.gz XFHIQTKMFONIGT-HOTGVXAUSA-N 2 0 356.511 0.260 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420067763 489901084 /nfs/dbraw/zinc/90/10/84/489901084.db2.gz SETDEQNIGSOVMX-YESZJQIVSA-N 2 0 366.506 0.191 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070579 489903555 /nfs/dbraw/zinc/90/35/55/489903555.db2.gz JUFHETCAOFFAFG-QGZVFWFLSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H](CN1CCOCC1)N(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433988990 489908897 /nfs/dbraw/zinc/90/88/97/489908897.db2.gz VDLUKGDBDHFLDB-YESZJQIVSA-N 2 0 356.511 0.848 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420092477 489909492 /nfs/dbraw/zinc/90/94/92/489909492.db2.gz GDGJENIMAHIXSK-MAUKXSAKSA-N 2 0 354.495 0.062 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093275 489909621 /nfs/dbraw/zinc/90/96/21/489909621.db2.gz PKKDCGMVDRUVCY-KRWDZBQOSA-N 2 0 373.501 0.892 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097732 489910980 /nfs/dbraw/zinc/91/09/80/489910980.db2.gz AJZFFRZNUVKEBU-RHSMWYFYSA-N 2 0 364.465 0.973 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000420106039 489914132 /nfs/dbraw/zinc/91/41/32/489914132.db2.gz REYWDMPLDFIFQO-VQIMIIECSA-N 2 0 366.506 0.063 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000461512305 489915667 /nfs/dbraw/zinc/91/56/67/489915667.db2.gz DPGIKQCLZKXLPN-UHFFFAOYSA-N 2 0 365.478 0.278 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000461521859 489916178 /nfs/dbraw/zinc/91/61/78/489916178.db2.gz VWRSXNFTROJMOA-GOSISDBHSA-N 2 0 365.478 0.278 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420119768 489919034 /nfs/dbraw/zinc/91/90/34/489919034.db2.gz JWBLNUFGQHADMS-INIZCTEOSA-N 2 0 354.495 0.191 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000420129286 489922875 /nfs/dbraw/zinc/92/28/75/489922875.db2.gz WPYRSBIUSPRRFO-FUHWJXTLSA-N 2 0 360.502 0.999 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000377576799 489924211 /nfs/dbraw/zinc/92/42/11/489924211.db2.gz GFNBHXZDOODTID-IAGOWNOFSA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143755 489929104 /nfs/dbraw/zinc/92/91/04/489929104.db2.gz YPLMSALWEHNDAI-UHFFFAOYSA-N 2 0 350.488 0.674 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420160362 489936757 /nfs/dbraw/zinc/93/67/57/489936757.db2.gz UPUYUAMEQZWMEO-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420164981 489936916 /nfs/dbraw/zinc/93/69/16/489936916.db2.gz MRHKFCJVSUPJJZ-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000420183575 489944571 /nfs/dbraw/zinc/94/45/71/489944571.db2.gz HNFBENCQIGTRHY-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000420186876 489944947 /nfs/dbraw/zinc/94/49/47/489944947.db2.gz QWOXIOREFSNUDA-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420187137 489945048 /nfs/dbraw/zinc/94/50/48/489945048.db2.gz LUTQRTBYLMNLLM-SFHVURJKSA-N 2 0 374.485 0.216 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cccc(F)c1 ZINC000420187392 489945258 /nfs/dbraw/zinc/94/52/58/489945258.db2.gz DHOZNTWGAOFHOY-UHOFOFEASA-N 2 0 350.438 0.788 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCCC1 ZINC000420200773 489950199 /nfs/dbraw/zinc/95/01/99/489950199.db2.gz GOKRJWVPNUEVSE-QBPKDAKJSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202617 489950509 /nfs/dbraw/zinc/95/05/09/489950509.db2.gz JOFMVEJWROTNFE-KRWDZBQOSA-N 2 0 374.485 0.079 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420206600 489952550 /nfs/dbraw/zinc/95/25/50/489952550.db2.gz SPIDWLBDECWUHB-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420214627 489954573 /nfs/dbraw/zinc/95/45/73/489954573.db2.gz ZPEHUBIWJDFFEH-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2C[C@H](C[NH3+])C[C@@H]2C)cc(C(=O)OC)c1 ZINC000420308141 489961838 /nfs/dbraw/zinc/96/18/38/489961838.db2.gz CMBYYCLNPLBXOA-RYUDHWBXSA-N 2 0 363.414 0.867 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2C[C@@H](C[NH3+])C[C@@H]2C)cc(C(=O)OC)c1 ZINC000420308140 489961959 /nfs/dbraw/zinc/96/19/59/489961959.db2.gz CMBYYCLNPLBXOA-NWDGAFQWSA-N 2 0 363.414 0.867 20 0 FCADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000420319365 489962651 /nfs/dbraw/zinc/96/26/51/489962651.db2.gz PJGZNNGLYSJYPF-GOEBONIOSA-N 2 0 355.504 0.999 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329217 489963248 /nfs/dbraw/zinc/96/32/48/489963248.db2.gz OCANHMFSNHPMRG-KBPBESRZSA-N 2 0 363.462 0.857 20 0 FCADRP NS(=O)(=O)c1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420326088 489963690 /nfs/dbraw/zinc/96/36/90/489963690.db2.gz XALGACZPQUXYGZ-OAHLLOKOSA-N 2 0 352.504 0.846 20 0 FCADRP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349298 489966267 /nfs/dbraw/zinc/96/62/67/489966267.db2.gz OJOBBXLEHBDTNW-QAPCUYQASA-N 2 0 374.485 0.457 20 0 FCADRP CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H](O)C[NH3+] ZINC000420354499 489967269 /nfs/dbraw/zinc/96/72/69/489967269.db2.gz OLFAQNXKCYFJRH-YOEHRIQHSA-N 2 0 368.909 0.845 20 0 FCADRP c1nc(N2CCOCC2)cc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420356192 489967368 /nfs/dbraw/zinc/96/73/68/489967368.db2.gz GARKPQJBHVCVFM-QGZVFWFLSA-N 2 0 360.506 0.825 20 0 FCADRP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406156 489972779 /nfs/dbraw/zinc/97/27/79/489972779.db2.gz QEPXXNHQKYDYAU-GJZGRUSLSA-N 2 0 363.458 0.459 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000477639263 489980545 /nfs/dbraw/zinc/98/05/45/489980545.db2.gz FBMQASONTLJSMC-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000477653309 489982817 /nfs/dbraw/zinc/98/28/17/489982817.db2.gz PRQWNADQZWMKQE-HNNXBMFYSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015858 490000783 /nfs/dbraw/zinc/00/07/83/490000783.db2.gz MKCMFHDPIXWEDB-VCBZYWHSSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1cc(C)n(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n1 ZINC000463332642 490011242 /nfs/dbraw/zinc/01/12/42/490011242.db2.gz CEUVXPROSYEWGV-UHFFFAOYSA-N 2 0 351.495 0.592 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](C[NH3+])C1 ZINC000478265234 490012985 /nfs/dbraw/zinc/01/29/85/490012985.db2.gz FVVGRCGYBFOVOS-VQIMIIECSA-N 2 0 360.502 0.815 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000378202976 490027538 /nfs/dbraw/zinc/02/75/38/490027538.db2.gz PLEMLYONRZQAFR-LJQANCHMSA-N 2 0 364.465 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420900057 490029198 /nfs/dbraw/zinc/02/91/98/490029198.db2.gz IBRJVRVTOOUVRP-OFLPRAFFSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897324 490029503 /nfs/dbraw/zinc/02/95/03/490029503.db2.gz CJHNNAAAADHIIE-IRXDYDNUSA-N 2 0 368.522 0.401 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438715817 490036705 /nfs/dbraw/zinc/03/67/05/490036705.db2.gz KUBSIEMVRPZSNQ-INIZCTEOSA-N 2 0 368.441 1.293 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](CCCNS(=O)(=O)CC)CC2)CC1 ZINC000420973044 490036699 /nfs/dbraw/zinc/03/66/99/490036699.db2.gz BVTSKNBDJSGIIL-UHFFFAOYSA-N 2 0 360.568 0.808 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869310 490046834 /nfs/dbraw/zinc/04/68/34/490046834.db2.gz PVLVZEWNVLVPJK-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869308 490046921 /nfs/dbraw/zinc/04/69/21/490046921.db2.gz PVLVZEWNVLVPJK-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556122771 491296728 /nfs/dbraw/zinc/29/67/28/491296728.db2.gz DTOGHOYWWVFOLW-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000571288730 491298110 /nfs/dbraw/zinc/29/81/10/491298110.db2.gz DBZCKNVKISSTKY-OAHLLOKOSA-N 2 0 364.494 0.068 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@@H+]1C ZINC000506433778 490091761 /nfs/dbraw/zinc/09/17/61/490091761.db2.gz ZPGXMQSCEHOQFL-QAPCUYQASA-N 2 0 372.513 0.801 20 0 FCADRP CC1[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710174 490098598 /nfs/dbraw/zinc/09/85/98/490098598.db2.gz JFZQCSYQTXRNTN-WNRNVDISSA-N 2 0 364.534 0.974 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148213 490105618 /nfs/dbraw/zinc/10/56/18/490105618.db2.gz OFOIDWBNBNMNDE-IRXDYDNUSA-N 2 0 351.470 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCOCC1 ZINC000465445870 490121421 /nfs/dbraw/zinc/12/14/21/490121421.db2.gz ZZVCFHJANVEUKP-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1C1CC1 ZINC000571324422 491300884 /nfs/dbraw/zinc/30/08/84/491300884.db2.gz XBIWMWIBGLRNKR-OIISXLGYSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000465863636 490149546 /nfs/dbraw/zinc/14/95/46/490149546.db2.gz HAPWUGVFEMKQHH-HOCLYGCPSA-N 2 0 353.511 0.711 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460150 490150933 /nfs/dbraw/zinc/15/09/33/490150933.db2.gz ZAFGTTFMMUEXCN-DOTOQJQBSA-N 2 0 366.506 0.322 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000465949021 490156618 /nfs/dbraw/zinc/15/66/18/490156618.db2.gz CXHHBBAABGQIDG-HUUCEWRRSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCN(C)CC1 ZINC000466133539 490168423 /nfs/dbraw/zinc/16/84/23/490168423.db2.gz FJOSIPNAJHNOHG-QGZVFWFLSA-N 2 0 369.554 0.358 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000466233895 490172258 /nfs/dbraw/zinc/17/22/58/490172258.db2.gz FUNWMGFUOFRJHC-PVAVHDDUSA-N 2 0 365.522 0.711 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000422126708 490177860 /nfs/dbraw/zinc/17/78/60/490177860.db2.gz XAJNSMJGACKGCZ-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000422131635 490180581 /nfs/dbraw/zinc/18/05/81/490180581.db2.gz HHCHQSXQHMRLJW-KRWDZBQOSA-N 2 0 366.506 0.110 20 0 FCADRP CCc1n[nH]c(=O)c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1CC ZINC000533153260 490186551 /nfs/dbraw/zinc/18/65/51/490186551.db2.gz SWRXBCLHBGVRFK-UHFFFAOYSA-N 2 0 366.510 0.942 20 0 FCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000564452296 491308040 /nfs/dbraw/zinc/30/80/40/491308040.db2.gz BYUUKJJSEUOOKQ-KSZLIROESA-N 2 0 371.485 0.742 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000507413866 490218607 /nfs/dbraw/zinc/21/86/07/490218607.db2.gz MVBSIBLFSOXYLU-SFHVURJKSA-N 2 0 369.554 0.408 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000480637121 490219703 /nfs/dbraw/zinc/21/97/03/490219703.db2.gz AWKWHQJYMHYSLG-WFASDCNBSA-N 2 0 357.524 0.823 20 0 FCADRP CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[NH+](C)C)cc1 ZINC000521272697 490243284 /nfs/dbraw/zinc/24/32/84/490243284.db2.gz FGGVEGOPALKRSV-KSZLIROESA-N 2 0 373.501 0.805 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000521273834 490244165 /nfs/dbraw/zinc/24/41/65/490244165.db2.gz IEQDTCNEIWSYQF-RTBURBONSA-N 2 0 372.513 0.878 20 0 FCADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000521339278 490249563 /nfs/dbraw/zinc/24/95/63/490249563.db2.gz VQQZGDTZAUXUHI-UHFFFAOYSA-N 2 0 355.527 0.960 20 0 FCADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521370751 490252984 /nfs/dbraw/zinc/25/29/84/490252984.db2.gz IFJPMTCZLPGZRI-WBVHZDCISA-N 2 0 364.490 0.053 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000571505321 491312162 /nfs/dbraw/zinc/31/21/62/491312162.db2.gz LRSMAWBRPNXWSB-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000571534462 491313689 /nfs/dbraw/zinc/31/36/89/491313689.db2.gz HHFTWKHMTXUMRH-IBGZPJMESA-N 2 0 351.491 0.594 20 0 FCADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000556409547 491314123 /nfs/dbraw/zinc/31/41/23/491314123.db2.gz WTGLPQLQLCBOEK-UHFFFAOYSA-N 2 0 356.488 0.656 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cn2c(n1)CCCC2 ZINC000521662692 490287932 /nfs/dbraw/zinc/28/79/32/490287932.db2.gz TZQFAEQYRZLFAQ-HNNXBMFYSA-N 2 0 362.478 0.401 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000571548242 491314798 /nfs/dbraw/zinc/31/47/98/491314798.db2.gz QUGKPYXFJSZKDI-INIZCTEOSA-N 2 0 370.538 0.650 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1=CC[N@H+](C)CC1 ZINC000571555501 491315785 /nfs/dbraw/zinc/31/57/85/491315785.db2.gz QCIDNWPJPPCSEV-OAHLLOKOSA-N 2 0 350.507 0.991 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000521875334 490306594 /nfs/dbraw/zinc/30/65/94/490306594.db2.gz ZTQHVQOESDPLJN-OLZOCXBDSA-N 2 0 350.467 0.720 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000447979829 490307092 /nfs/dbraw/zinc/30/70/92/490307092.db2.gz BKSOOORWDCORTP-HZPDHXFCSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483331385 490308524 /nfs/dbraw/zinc/30/85/24/490308524.db2.gz FUHZCZNQQCOMNA-ULQDDVLXSA-N 2 0 368.522 0.545 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000448208253 490319946 /nfs/dbraw/zinc/31/99/46/490319946.db2.gz GFHMXHHJESTTPI-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208250 490319974 /nfs/dbraw/zinc/31/99/74/490319974.db2.gz GFHMXHHJESTTPI-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)CCN(CCN(C)C)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000522019345 490328924 /nfs/dbraw/zinc/32/89/24/490328924.db2.gz DGLWEFHBERQCCY-INIZCTEOSA-N 2 0 367.515 0.899 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000498844442 490352174 /nfs/dbraw/zinc/35/21/74/490352174.db2.gz OPGSNQNIWUJGAH-QGZVFWFLSA-N 2 0 350.507 0.849 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000422487643 490353570 /nfs/dbraw/zinc/35/35/70/490353570.db2.gz INEUKYIALHHEFX-DLBZAZTESA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000564686851 491320530 /nfs/dbraw/zinc/32/05/30/491320530.db2.gz JOHMPBQKRYIFHL-BZUAXINKSA-N 2 0 366.506 0.369 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522445925 490379315 /nfs/dbraw/zinc/37/93/15/490379315.db2.gz ALFSFZRJUOVBJP-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000522443036 490379337 /nfs/dbraw/zinc/37/93/37/490379337.db2.gz OGOVVYFMTVYUGA-SFHVURJKSA-N 2 0 369.554 0.360 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C(N)=O)cn1 ZINC000448851825 490382632 /nfs/dbraw/zinc/38/26/32/490382632.db2.gz GFCBQFIEZAWVEC-HNNXBMFYSA-N 2 0 361.490 0.977 20 0 FCADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411118170 490389790 /nfs/dbraw/zinc/38/97/90/490389790.db2.gz DQCIMWKIEULBIF-UHFFFAOYSA-N 2 0 354.426 0.773 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000534718584 490401573 /nfs/dbraw/zinc/40/15/73/490401573.db2.gz RZQSYFWIAUXKKE-UHFFFAOYSA-N 2 0 351.495 0.276 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484276753 490406336 /nfs/dbraw/zinc/40/63/36/490406336.db2.gz ANRCETLZYAOWBB-DLBZAZTESA-N 2 0 367.538 0.071 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484276757 490406574 /nfs/dbraw/zinc/40/65/74/490406574.db2.gz ANRCETLZYAOWBB-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339897 490408131 /nfs/dbraw/zinc/40/81/31/490408131.db2.gz LNHDOKXVHZPPTM-OXJNMPFZSA-N 2 0 358.486 0.621 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548034686 490410189 /nfs/dbraw/zinc/41/01/89/490410189.db2.gz SPTDXQAYWKJAMA-KRWDZBQOSA-N 2 0 369.554 0.501 20 0 FCADRP O=C(COC[C@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523315616 490456058 /nfs/dbraw/zinc/45/60/58/490456058.db2.gz JVPBYYHOKGIFPB-GOSISDBHSA-N 2 0 362.474 0.906 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000509718186 490456813 /nfs/dbraw/zinc/45/68/13/490456813.db2.gz XLVQFQNLTPGHOP-MRXNPFEDSA-N 2 0 354.495 0.015 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000484705167 490457037 /nfs/dbraw/zinc/45/70/37/490457037.db2.gz SMZOBQHBHLWJAV-CVEARBPZSA-N 2 0 353.511 0.522 20 0 FCADRP CC(=O)N1CCN(CCOc2ccc(CC[NH2+][C@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000422702158 490460034 /nfs/dbraw/zinc/46/00/34/490460034.db2.gz DGTYSWLJWMEIFD-QGZVFWFLSA-N 2 0 374.529 0.970 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000509811099 490467809 /nfs/dbraw/zinc/46/78/09/490467809.db2.gz JDQDTQALNNPHAC-VYDXJSESSA-N 2 0 356.511 0.339 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523481630 490467914 /nfs/dbraw/zinc/46/79/14/490467914.db2.gz HZNSCOASKCUNDU-HOTGVXAUSA-N 2 0 355.527 0.959 20 0 FCADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422753944 490471214 /nfs/dbraw/zinc/47/12/14/490471214.db2.gz FMKUWVDUMRDAHN-HNNXBMFYSA-N 2 0 354.520 0.840 20 0 FCADRP C[C@H]1CC[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000535261127 490471588 /nfs/dbraw/zinc/47/15/88/490471588.db2.gz UZKKULVWFJESBM-HOTGVXAUSA-N 2 0 370.563 0.825 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909476 490476659 /nfs/dbraw/zinc/47/66/59/490476659.db2.gz SPRCSQBPUANTDF-UKRRQHHQSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944258 490481027 /nfs/dbraw/zinc/48/10/27/490481027.db2.gz HCIZRWAKDYWSQH-SJORKVTESA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C(=O)NCC[NH+]1CCCCC1 ZINC000571879175 491334705 /nfs/dbraw/zinc/33/47/05/491334705.db2.gz IGJPPVYRVNLKKC-ZIAGYGMSSA-N 2 0 362.478 0.207 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000523750870 490492248 /nfs/dbraw/zinc/49/22/48/490492248.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 0 369.554 0.668 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422908316 490494791 /nfs/dbraw/zinc/49/47/91/490494791.db2.gz DDXYFUKADOPVDJ-IAGOWNOFSA-N 2 0 362.474 0.361 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500420749 490514036 /nfs/dbraw/zinc/51/40/36/490514036.db2.gz DUNNPVYJIUBWJK-GASCZTMLSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423033753 490526233 /nfs/dbraw/zinc/52/62/33/490526233.db2.gz GTHOUPYSMHFRBR-SJLPKXTDSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423041874 490528668 /nfs/dbraw/zinc/52/86/68/490528668.db2.gz XZJHNZNBUAHSDB-FQEVSTJZSA-N 2 0 358.486 0.918 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423061877 490532959 /nfs/dbraw/zinc/53/29/59/490532959.db2.gz RRYASFUVUVXZIY-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063669 490533467 /nfs/dbraw/zinc/53/34/67/490533467.db2.gz XCFAVCCVUXONEE-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063604 490533669 /nfs/dbraw/zinc/53/36/69/490533669.db2.gz WQSDPMSCCYFCIK-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000564890083 491333967 /nfs/dbraw/zinc/33/39/67/491333967.db2.gz ZIURBXAUVOYIRD-KRWDZBQOSA-N 2 0 372.473 0.648 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000571877731 491334310 /nfs/dbraw/zinc/33/43/10/491334310.db2.gz GYCFHZUIZRVMEM-HOTGVXAUSA-N 2 0 374.489 0.540 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000571875539 491334607 /nfs/dbraw/zinc/33/46/07/491334607.db2.gz RMEBMALGEGFCDD-LSDHHAIUSA-N 2 0 353.463 0.279 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC000500785843 490553297 /nfs/dbraw/zinc/55/32/97/490553297.db2.gz QVFDOMXUGIGFBB-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000564911545 491335887 /nfs/dbraw/zinc/33/58/87/491335887.db2.gz ZAJZXNOXSHXWBA-GOSISDBHSA-N 2 0 358.486 0.678 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485809055 490559969 /nfs/dbraw/zinc/55/99/69/490559969.db2.gz CBJJBXKTGUAVKE-INIZCTEOSA-N 2 0 364.494 0.822 20 0 FCADRP Cn1ccnc1CN1CCC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1=O ZINC000549255819 490572124 /nfs/dbraw/zinc/57/21/24/490572124.db2.gz CYEAOCFOZVQQRE-INIZCTEOSA-N 2 0 359.474 0.902 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000549564367 490589937 /nfs/dbraw/zinc/58/99/37/490589937.db2.gz KBUQCBRLUAJUHC-UHFFFAOYSA-N 2 0 374.493 0.340 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410160 490592208 /nfs/dbraw/zinc/59/22/08/490592208.db2.gz MYOZHKNERLXMCI-HOCLYGCPSA-N 2 0 351.495 0.523 20 0 FCADRP CN(C)C(=O)C1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC1 ZINC000525438827 490605982 /nfs/dbraw/zinc/60/59/82/490605982.db2.gz PGUGACPSXDCRPD-UHFFFAOYSA-N 2 0 355.527 0.770 20 0 FCADRP CN1CCN(c2ncc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cn2)CC1 ZINC000536674596 490606277 /nfs/dbraw/zinc/60/62/77/490606277.db2.gz VKDXOHHBCFDPAU-UHFFFAOYSA-N 2 0 362.522 0.771 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000486326638 490610714 /nfs/dbraw/zinc/61/07/14/490610714.db2.gz NWWQYJPXXKLHFO-HUUCEWRRSA-N 2 0 362.478 0.125 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000556849122 491340614 /nfs/dbraw/zinc/34/06/14/491340614.db2.gz HUNRGVAWNJYSLL-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000550102678 490624631 /nfs/dbraw/zinc/62/46/31/490624631.db2.gz AJFNGDBQKYIVFO-JKSUJKDBSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635159 490627298 /nfs/dbraw/zinc/62/72/98/490627298.db2.gz FTTRTQVHPIDRSM-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643391 490629797 /nfs/dbraw/zinc/62/97/97/490629797.db2.gz VWVPXAJFXTWMAS-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550132574 490630228 /nfs/dbraw/zinc/63/02/28/490630228.db2.gz FDHKTXGZCPBZPU-UHFFFAOYSA-N 2 0 368.522 0.284 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001203 491342003 /nfs/dbraw/zinc/34/20/03/491342003.db2.gz BEWWFQKTKXAEDV-RTBURBONSA-N 2 0 359.518 0.385 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486517812 490642505 /nfs/dbraw/zinc/64/25/05/490642505.db2.gz NCHUNVNYIVVHNZ-NCOADZHNSA-N 2 0 366.550 0.983 20 0 FCADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000486581120 490649274 /nfs/dbraw/zinc/64/92/74/490649274.db2.gz RRRKRXRRIUZNFX-GOSISDBHSA-N 2 0 350.507 0.337 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCCCC1 ZINC000550321906 490659215 /nfs/dbraw/zinc/65/92/15/490659215.db2.gz ICTKXDCXFXRQBV-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000564992193 491344497 /nfs/dbraw/zinc/34/44/97/491344497.db2.gz IJMLAVRSFLDUQJ-KSSFIOAISA-N 2 0 361.490 0.823 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000572059417 491345860 /nfs/dbraw/zinc/34/58/60/491345860.db2.gz GYZSKRYNSYAAPG-HZPDHXFCSA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000572096620 491348288 /nfs/dbraw/zinc/34/82/88/491348288.db2.gz QOCDBNRNLFCTST-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000513179430 490713047 /nfs/dbraw/zinc/71/30/47/490713047.db2.gz XYFLWSYTHHIGFO-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000557011098 491349280 /nfs/dbraw/zinc/34/92/80/491349280.db2.gz BAUFZTACWUEDNP-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478350 490733377 /nfs/dbraw/zinc/73/33/77/490733377.db2.gz XEVMISRSMLQDIE-HOTGVXAUSA-N 2 0 370.538 0.696 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)CC1=O ZINC000538922478 490757315 /nfs/dbraw/zinc/75/73/15/490757315.db2.gz VTDAAIPWGBPDPN-YLFCFFPRSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)CC1=O ZINC000538922479 490757509 /nfs/dbraw/zinc/75/75/09/490757509.db2.gz VTDAAIPWGBPDPN-YYIAUSFCSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000557090454 491352711 /nfs/dbraw/zinc/35/27/11/491352711.db2.gz MLTMSHNICCQFEP-QGZVFWFLSA-N 2 0 352.523 0.929 20 0 FCADRP Cc1cnc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000572157941 491352946 /nfs/dbraw/zinc/35/29/46/491352946.db2.gz RLYZXHLIJHQHJV-CYBMUJFWSA-N 2 0 355.508 0.581 20 0 FCADRP Cc1cc(C)n(-c2ccc(CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])cn2)n1 ZINC000557115938 491354056 /nfs/dbraw/zinc/35/40/56/491354056.db2.gz DJNSSAVLBKGSRD-INIZCTEOSA-N 2 0 357.462 0.668 20 0 FCADRP COC(=O)CCN1CC[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320953 490776703 /nfs/dbraw/zinc/77/67/03/490776703.db2.gz XCMXTTJPYVUTOM-LTIDMASMSA-N 2 0 357.495 0.026 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000514682660 490782343 /nfs/dbraw/zinc/78/23/43/490782343.db2.gz UJLKIIMZNAGZKL-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504331221 490795787 /nfs/dbraw/zinc/79/57/87/490795787.db2.gz GGHRWSLKNTZMIC-QGZVFWFLSA-N 2 0 362.522 0.791 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514925117 490798175 /nfs/dbraw/zinc/79/81/75/490798175.db2.gz JNJDOJNWZZYTBN-ROUUACIJSA-N 2 0 362.474 0.565 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C1 ZINC000515062826 490806151 /nfs/dbraw/zinc/80/61/51/490806151.db2.gz FCAPADVAEXCIFI-OAHLLOKOSA-N 2 0 360.458 0.701 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000515091344 490808168 /nfs/dbraw/zinc/80/81/68/490808168.db2.gz FEUXAVDJNRBMTP-GJZGRUSLSA-N 2 0 366.506 0.297 20 0 FCADRP CC[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000515381347 490822796 /nfs/dbraw/zinc/82/27/96/490822796.db2.gz IFKKEPPTHFKQQI-ROUUACIJSA-N 2 0 358.486 0.808 20 0 FCADRP O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000515413393 490825039 /nfs/dbraw/zinc/82/50/39/490825039.db2.gz JUHSSVYPQUTMDU-KZNAEPCWSA-N 2 0 360.502 0.840 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@@H]1COCC[NH2+]1 ZINC000529304309 490848860 /nfs/dbraw/zinc/84/88/60/490848860.db2.gz CQIZOSGABSJPOD-QGZVFWFLSA-N 2 0 362.474 0.431 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000529301882 490849112 /nfs/dbraw/zinc/84/91/12/490849112.db2.gz IYNXEQOKFBLTDI-MRXNPFEDSA-N 2 0 350.463 0.805 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516091231 490850151 /nfs/dbraw/zinc/85/01/51/490850151.db2.gz GCOLOIXNOXOKTA-KGLIPLIRSA-N 2 0 361.446 0.533 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000529326104 490852982 /nfs/dbraw/zinc/85/29/82/490852982.db2.gz LKBAMZJNPABRRM-HMQMGEFJSA-N 2 0 365.522 0.709 20 0 FCADRP COc1cc(C)ccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516205947 490856627 /nfs/dbraw/zinc/85/66/27/490856627.db2.gz XVPAGSVYFMFHOI-UHFFFAOYSA-N 2 0 364.490 0.572 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000541267508 490856999 /nfs/dbraw/zinc/85/69/99/490856999.db2.gz WNNIUFJVEAKFSX-KURKYZTESA-N 2 0 352.523 0.439 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)COC3CCOCC3)CC2)CC1 ZINC000541663938 490868749 /nfs/dbraw/zinc/86/87/49/490868749.db2.gz JDSDRRJAKOKPDJ-SFHVURJKSA-N 2 0 369.550 0.892 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000516786822 490878009 /nfs/dbraw/zinc/87/80/09/490878009.db2.gz GWNLHDQRJPFNHR-PMPSAXMXSA-N 2 0 351.495 0.452 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000516857411 490881082 /nfs/dbraw/zinc/88/10/82/490881082.db2.gz HXCWPMSETOXFSM-UHFFFAOYSA-N 2 0 356.511 0.496 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516925711 490885256 /nfs/dbraw/zinc/88/52/56/490885256.db2.gz AITRXUVZYVJMAD-MRXNPFEDSA-N 2 0 368.428 0.723 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000542166128 490887977 /nfs/dbraw/zinc/88/79/77/490887977.db2.gz FEVGXKTXYCYVHE-MSOLQXFVSA-N 2 0 352.523 0.582 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530238435 490895049 /nfs/dbraw/zinc/89/50/49/490895049.db2.gz AEJCRHNCKPIOFJ-ZWKOTPCHSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000517225588 490899653 /nfs/dbraw/zinc/89/96/53/490899653.db2.gz QJPHQQHIOGHDCC-UHFFFAOYSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000517228231 490899738 /nfs/dbraw/zinc/89/97/38/490899738.db2.gz LSSXQARNKQEQQL-CQSZACIVSA-N 2 0 350.463 0.423 20 0 FCADRP COC[C@@]1(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000517238469 490900736 /nfs/dbraw/zinc/90/07/36/490900736.db2.gz IRURWQDHDJDOEX-FQEVSTJZSA-N 2 0 360.502 0.932 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000530377547 490902565 /nfs/dbraw/zinc/90/25/65/490902565.db2.gz PWOIXZKTNRIQQM-MLGOLLRUSA-N 2 0 369.535 0.823 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000517821310 490922584 /nfs/dbraw/zinc/92/25/84/490922584.db2.gz RRQUPTKONPAECT-HZPDHXFCSA-N 2 0 353.511 0.761 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000517998527 490927737 /nfs/dbraw/zinc/92/77/37/490927737.db2.gz YGNHREFEOARGIE-IKGGRYGDSA-N 2 0 366.506 0.081 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000518004466 490928126 /nfs/dbraw/zinc/92/81/26/490928126.db2.gz UUYRJLIMCPBZOH-PMPSAXMXSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000518290349 490936101 /nfs/dbraw/zinc/93/61/01/490936101.db2.gz HBLYLXRSQWOASC-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062198 490938819 /nfs/dbraw/zinc/93/88/19/490938819.db2.gz LKGHEKYRBKLCSZ-FQEVSTJZSA-N 2 0 361.486 0.586 20 0 FCADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062199 490938878 /nfs/dbraw/zinc/93/88/78/490938878.db2.gz LKGHEKYRBKLCSZ-HXUWFJFHSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062790 490938911 /nfs/dbraw/zinc/93/89/11/490938911.db2.gz GTKTXEGBFROQIG-RXVVDRJESA-N 2 0 374.529 0.623 20 0 FCADRP CC(C)CN1C[C@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374182 491365717 /nfs/dbraw/zinc/36/57/17/491365717.db2.gz IJUYXVXMWVMMJZ-HZPDHXFCSA-N 2 0 351.495 0.262 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244188 490947546 /nfs/dbraw/zinc/94/75/46/490947546.db2.gz BGZWVKNHXIVANX-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000531292678 490950433 /nfs/dbraw/zinc/95/04/33/490950433.db2.gz URRWIJMCXRSOKD-UHFFFAOYSA-N 2 0 353.555 0.404 20 0 FCADRP CCOC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000531356818 490953404 /nfs/dbraw/zinc/95/34/04/490953404.db2.gz SORVRVLXHAMNPO-UHFFFAOYSA-N 2 0 361.464 0.570 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000565256390 491366690 /nfs/dbraw/zinc/36/66/90/491366690.db2.gz ZJURSNJBKHCQBO-OWCLPIDISA-N 2 0 365.522 0.840 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000531484060 490960313 /nfs/dbraw/zinc/96/03/13/490960313.db2.gz ZCUHRDGRAOWGIN-GOEBONIOSA-N 2 0 365.522 0.854 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812238 490975216 /nfs/dbraw/zinc/97/52/16/490975216.db2.gz HNAYWLYXVHRMFA-RDJZCZTQSA-N 2 0 363.506 0.419 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000519679731 490983776 /nfs/dbraw/zinc/98/37/76/490983776.db2.gz LHLCOSOQTKLDRQ-JLSDUUJJSA-N 2 0 355.429 0.993 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000519679734 490983929 /nfs/dbraw/zinc/98/39/29/490983929.db2.gz LHLCOSOQTKLDRQ-OLMNPRSZSA-N 2 0 355.429 0.993 20 0 FCADRP [NH3+][C@@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000519690578 490984322 /nfs/dbraw/zinc/98/43/22/490984322.db2.gz GHBVPZDNZPMNEY-CABCVRRESA-N 2 0 358.408 0.899 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067611 490985195 /nfs/dbraw/zinc/98/51/95/490985195.db2.gz PSZMVTUJTJUEMP-RDJZCZTQSA-N 2 0 365.522 0.665 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315169 490990910 /nfs/dbraw/zinc/99/09/10/490990910.db2.gz NXRLDAAKOHANBR-YOEHRIQHSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)N1CCN(c3ncccn3)CC1)CC[NH2+]CC2 ZINC000569609185 491173895 /nfs/dbraw/zinc/17/38/95/491173895.db2.gz UYEHLQXXHKJGGG-QGZVFWFLSA-N 2 0 372.517 0.979 20 0 FCADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)N1CCN(c3ncccn3)CC1)CC[NH2+]CC2 ZINC000569609178 491174311 /nfs/dbraw/zinc/17/43/11/491174311.db2.gz UYEHLQXXHKJGGG-KRWDZBQOSA-N 2 0 372.517 0.979 20 0 FCADRP COC[C@]1(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000565308970 491369181 /nfs/dbraw/zinc/36/91/81/491369181.db2.gz XBULSDVIMWOZCH-LJQANCHMSA-N 2 0 361.490 0.479 20 0 FCADRP CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683206292 493337101 /nfs/dbraw/zinc/33/71/01/493337101.db2.gz AUFYFJSKOLZSGZ-UHFFFAOYSA-N 2 0 358.508 0.549 20 0 FCADRP C[NH+](C)C1CN(C(=O)C[C@H](CC(C)(C)C)C(=O)N2CC([NH+](C)C)C2)C1 ZINC000557525975 491380696 /nfs/dbraw/zinc/38/06/96/491380696.db2.gz RQQHHTUURITNNF-CQSZACIVSA-N 2 0 352.523 0.974 20 0 FCADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CNCCO3)CC2)cc1 ZINC000572612676 491381439 /nfs/dbraw/zinc/38/14/39/491381439.db2.gz TWSBJZYQCWPNAH-MRXNPFEDSA-N 2 0 353.488 0.726 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000557679290 491390789 /nfs/dbraw/zinc/39/07/89/491390789.db2.gz GIAOLTIUVXOAJK-QGZVFWFLSA-N 2 0 354.564 0.958 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000565647220 491391078 /nfs/dbraw/zinc/39/10/78/491391078.db2.gz WGSJYKLCKRBSRK-BWTSREIZSA-N 2 0 357.502 0.841 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000572802400 491394559 /nfs/dbraw/zinc/39/45/59/491394559.db2.gz RXWGRUXIWCPCCI-UHFFFAOYSA-N 2 0 365.482 0.119 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565882957 491405066 /nfs/dbraw/zinc/40/50/66/491405066.db2.gz YWSIRRIQCKSWNU-UHFFFAOYSA-N 2 0 356.470 0.589 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000573019070 491407678 /nfs/dbraw/zinc/40/76/78/491407678.db2.gz MKVQTKSAWFZMRU-FQEVSTJZSA-N 2 0 373.501 0.167 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000573022998 491407902 /nfs/dbraw/zinc/40/79/02/491407902.db2.gz MOMSEZDDIMRNMM-ZWKOTPCHSA-N 2 0 373.501 0.982 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000558105938 491414399 /nfs/dbraw/zinc/41/43/99/491414399.db2.gz ZBIFFGNXBBDCPA-BHYGNILZSA-N 2 0 368.522 0.327 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@H+](C)[C@H]3CCSC3)CC2)C1=O ZINC000566137549 491419881 /nfs/dbraw/zinc/41/98/81/491419881.db2.gz YNYLROUGYRRGSD-LSDHHAIUSA-N 2 0 354.520 0.235 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)C1=O ZINC000566137546 491420045 /nfs/dbraw/zinc/42/00/45/491420045.db2.gz YNYLROUGYRRGSD-CABCVRRESA-N 2 0 354.520 0.235 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566190722 491424652 /nfs/dbraw/zinc/42/46/52/491424652.db2.gz IFSQDMFIAUEKPE-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321425 491426292 /nfs/dbraw/zinc/42/62/92/491426292.db2.gz UVNVJLVIKCZFKV-UYAOXDASSA-N 2 0 361.486 0.586 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000558348387 491426769 /nfs/dbraw/zinc/42/67/69/491426769.db2.gz AGYSWCMKMPGHLJ-UHFFFAOYSA-N 2 0 367.538 0.122 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566223849 491427092 /nfs/dbraw/zinc/42/70/92/491427092.db2.gz MMVCPNAOSOMQLX-HRCADAONSA-N 2 0 369.535 0.809 20 0 FCADRP NC(=O)[C@@H]1CCCN(CCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000573437968 491433481 /nfs/dbraw/zinc/43/34/81/491433481.db2.gz STNGVCNXTRQFIJ-CQSZACIVSA-N 2 0 371.478 0.776 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000573490352 491436572 /nfs/dbraw/zinc/43/65/72/491436572.db2.gz MLMOGFOPYJKYGG-UONOGXRCSA-N 2 0 352.454 0.958 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000573578654 491442042 /nfs/dbraw/zinc/44/20/42/491442042.db2.gz FZYVDPHSMJMGIL-DLBZAZTESA-N 2 0 359.474 0.462 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508781 491449918 /nfs/dbraw/zinc/44/99/18/491449918.db2.gz ZCXDWKPLRVINEC-YESZJQIVSA-N 2 0 357.458 0.214 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@H]1O ZINC000573722898 491450513 /nfs/dbraw/zinc/45/05/13/491450513.db2.gz ZLSPZBGMBRZKGX-IYWMVGAKSA-N 2 0 364.486 0.037 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520099 491451177 /nfs/dbraw/zinc/45/11/77/491451177.db2.gz VJUUJANIIISRIL-SJORKVTESA-N 2 0 368.522 0.308 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520094 491451396 /nfs/dbraw/zinc/45/13/96/491451396.db2.gz VJUUJANIIISRIL-DLBZAZTESA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000573758959 491453055 /nfs/dbraw/zinc/45/30/55/491453055.db2.gz KQKRPUNGUXZEIE-HNNXBMFYSA-N 2 0 350.438 0.666 20 0 FCADRP COC[C@@]1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000573833829 491457703 /nfs/dbraw/zinc/45/77/03/491457703.db2.gz BQZZAJGSAPRSIC-LJQANCHMSA-N 2 0 362.474 0.535 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000566752081 491465056 /nfs/dbraw/zinc/46/50/56/491465056.db2.gz ADCOYRQBDKHHDI-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000566795209 491467466 /nfs/dbraw/zinc/46/74/66/491467466.db2.gz DEZGVHIHOIXHGD-MRXNPFEDSA-N 2 0 362.449 0.586 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000574024484 491469340 /nfs/dbraw/zinc/46/93/40/491469340.db2.gz XESHPFIKCFWBNN-UHFFFAOYSA-N 2 0 361.490 0.500 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412746 491471121 /nfs/dbraw/zinc/47/11/21/491471121.db2.gz UOSOYOSZMYQXMP-ROUUACIJSA-N 2 0 360.502 0.828 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911781 491474626 /nfs/dbraw/zinc/47/46/26/491474626.db2.gz MXOOUNIQEKIFPA-WIYYLYMNSA-N 2 0 372.513 0.977 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145934 491477074 /nfs/dbraw/zinc/47/70/74/491477074.db2.gz QZVCTALNRCEEKQ-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574179962 491479496 /nfs/dbraw/zinc/47/94/96/491479496.db2.gz AIDAUNHAHAPEOM-YYAJDYIMSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569554 491482256 /nfs/dbraw/zinc/48/22/56/491482256.db2.gz ZDQDBWDDWAUWPP-LSDHHAIUSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484556 /nfs/dbraw/zinc/48/45/56/491484556.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 2 0 361.490 0.038 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000559746016 491495330 /nfs/dbraw/zinc/49/53/30/491495330.db2.gz FFPOKVUMJUOLRI-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000559775342 491499016 /nfs/dbraw/zinc/49/90/16/491499016.db2.gz FYXYRUCSZKBTRI-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567356389 491501633 /nfs/dbraw/zinc/50/16/33/491501633.db2.gz JRQLGPMIUZDUGO-MJGOQNOKSA-N 3 0 352.523 0.805 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585403 491506842 /nfs/dbraw/zinc/50/68/42/491506842.db2.gz VLJANOFPMLVLKD-KSZLIROESA-N 2 0 356.470 0.812 20 0 FCADRP Cc1ccc([C@H](NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000567487718 491509036 /nfs/dbraw/zinc/50/90/36/491509036.db2.gz XYVRHXAIXWRTDE-AOIWGVFYSA-N 2 0 356.470 0.806 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559903912 491509318 /nfs/dbraw/zinc/50/93/18/491509318.db2.gz OAGKJQCSNDWDKO-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000567500025 491510402 /nfs/dbraw/zinc/51/04/02/491510402.db2.gz CRYXEMOCPIZPEW-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015477 491514805 /nfs/dbraw/zinc/51/48/05/491514805.db2.gz NMYGKZBVPGQOOX-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000560015413 491514908 /nfs/dbraw/zinc/51/49/08/491514908.db2.gz GQEBOOZAIDRSDR-SJORKVTESA-N 2 0 352.523 0.929 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560022237 491515344 /nfs/dbraw/zinc/51/53/44/491515344.db2.gz VEZXLHYFNYDNMV-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000560017802 491515666 /nfs/dbraw/zinc/51/56/66/491515666.db2.gz ZLRLMWOLWWNJBK-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000560026993 491516750 /nfs/dbraw/zinc/51/67/50/491516750.db2.gz YTGXVIXHGCXICH-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000560300857 491529652 /nfs/dbraw/zinc/52/96/52/491529652.db2.gz VKKZYUGBWLPWNE-FUHWJXTLSA-N 2 0 360.502 0.828 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804694 491530815 /nfs/dbraw/zinc/53/08/15/491530815.db2.gz URZKLSIBRUZETG-HUUCEWRRSA-N 2 0 350.467 0.025 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000574987354 491531792 /nfs/dbraw/zinc/53/17/92/491531792.db2.gz UHDKEGKFBMTFAU-MRXNPFEDSA-N 2 0 368.428 0.723 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000575077258 491537641 /nfs/dbraw/zinc/53/76/41/491537641.db2.gz UFOSCFVOKISWLU-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000567928243 491542043 /nfs/dbraw/zinc/54/20/43/491542043.db2.gz JLACXLJWSDZFPR-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000568075790 491552114 /nfs/dbraw/zinc/55/21/14/491552114.db2.gz HKIABCDYQPZTLW-QGZVFWFLSA-N 2 0 369.535 0.778 20 0 FCADRP Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748700 491558499 /nfs/dbraw/zinc/55/84/99/491558499.db2.gz UADBVRCQBFJIBP-CHWSQXEVSA-N 2 0 354.476 0.640 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000568229483 491561247 /nfs/dbraw/zinc/56/12/47/491561247.db2.gz GKJNYJPGZUXKIM-IBGZPJMESA-N 2 0 359.518 0.978 20 0 FCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000568249425 491562377 /nfs/dbraw/zinc/56/23/77/491562377.db2.gz QDEQYGOYJZOFPK-HOTGVXAUSA-N 2 0 367.519 0.393 20 0 FCADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000575871984 491566908 /nfs/dbraw/zinc/56/69/08/491566908.db2.gz ZPIXIGATDXJZDH-QGZVFWFLSA-N 2 0 359.474 0.999 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000568292599 491567319 /nfs/dbraw/zinc/56/73/19/491567319.db2.gz RGLCMDJPNMRUFV-KRWDZBQOSA-N 2 0 364.490 0.619 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000561013802 491570168 /nfs/dbraw/zinc/57/01/68/491570168.db2.gz BGNDOKAKAOLATO-DLBZAZTESA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000568372877 491572263 /nfs/dbraw/zinc/57/22/63/491572263.db2.gz BISNLFGODYMZHD-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000561113721 491575298 /nfs/dbraw/zinc/57/52/98/491575298.db2.gz JOOHJHQTFDJJBJ-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000561121471 491576484 /nfs/dbraw/zinc/57/64/84/491576484.db2.gz MYDLNUBLDIHZLX-RDJZCZTQSA-N 2 0 366.506 0.347 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136141 491577811 /nfs/dbraw/zinc/57/78/11/491577811.db2.gz AUKQWAQOOXONED-BRWVUGGUSA-N 2 0 363.506 0.467 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000576044285 491577872 /nfs/dbraw/zinc/57/78/72/491577872.db2.gz NZYGNCUDYKSAJE-FGTMMUONSA-N 2 0 372.517 0.835 20 0 FCADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000561203715 491582622 /nfs/dbraw/zinc/58/26/22/491582622.db2.gz LGAAFZJNYDPNBR-MRXNPFEDSA-N 2 0 363.462 0.029 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1=O ZINC000673650358 493353137 /nfs/dbraw/zinc/35/31/37/493353137.db2.gz OQJIDUYEGAZRGG-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000568609345 491591223 /nfs/dbraw/zinc/59/12/23/491591223.db2.gz QSDKSCURZWPJQO-HZPDHXFCSA-N 2 0 351.495 0.357 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000561267218 491591438 /nfs/dbraw/zinc/59/14/38/491591438.db2.gz DCFOSIYJMGMWBY-HNNXBMFYSA-N 2 0 352.866 0.929 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576224859 491594131 /nfs/dbraw/zinc/59/41/31/491594131.db2.gz HFAVIVOBQDDRCT-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000584464504 491594511 /nfs/dbraw/zinc/59/45/11/491594511.db2.gz RRYHDZDTIHKLRK-DSLXNQLJSA-N 2 0 370.497 0.915 20 0 FCADRP C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000577164137 491597334 /nfs/dbraw/zinc/59/73/34/491597334.db2.gz NTRPAVJRBDNFCI-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000577188052 491599377 /nfs/dbraw/zinc/59/93/77/491599377.db2.gz ZDNDXFQYFAARRS-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CC=CCC2)(N2CCOCC2)CC1 ZINC000577203675 491602122 /nfs/dbraw/zinc/60/21/22/491602122.db2.gz HWFHQMZEYZJCRY-UHFFFAOYSA-N 2 0 365.522 0.344 20 0 FCADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661643 493354515 /nfs/dbraw/zinc/35/45/15/493354515.db2.gz JZEJOBOPQPGAKT-QUCCMNQESA-N 2 0 361.486 0.850 20 0 FCADRP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000577274577 491608469 /nfs/dbraw/zinc/60/84/69/491608469.db2.gz PKEDTBUSTUXXOG-KSZLIROESA-N 2 0 362.518 0.921 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000568863407 491614908 /nfs/dbraw/zinc/61/49/08/491614908.db2.gz MKMVKXYKHXAUKK-AXVVYFOYSA-N 2 0 364.534 0.757 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000561589133 491619583 /nfs/dbraw/zinc/61/95/83/491619583.db2.gz MMLMLDASMITZJI-OAHLLOKOSA-N 2 0 368.522 0.545 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008761 491627266 /nfs/dbraw/zinc/62/72/66/491627266.db2.gz YOGFCQKEWQSGLA-QZTJIDSGSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000561743245 491628685 /nfs/dbraw/zinc/62/86/85/491628685.db2.gz MEJNXULIYKEMGI-SJORKVTESA-N 2 0 368.522 0.327 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001721 491646464 /nfs/dbraw/zinc/64/64/64/491646464.db2.gz OOSDDZPSSASEEV-LSDHHAIUSA-N 2 0 350.463 0.769 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000569351242 491654668 /nfs/dbraw/zinc/65/46/68/491654668.db2.gz UTKCXVREBATFKV-DOTOQJQBSA-N 2 0 352.479 0.335 20 0 FCADRP CNC(=O)[C@@H](NC(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943493 491658576 /nfs/dbraw/zinc/65/85/76/491658576.db2.gz KSGWFQLWKGSVGA-MJGOQNOKSA-N 2 0 358.486 0.911 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C2)C1 ZINC000569427280 491660684 /nfs/dbraw/zinc/66/06/84/491660684.db2.gz YRJVHJGWHDZGEY-IBGZPJMESA-N 2 0 365.522 0.716 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCOCC1 ZINC000578122385 491670327 /nfs/dbraw/zinc/67/03/27/491670327.db2.gz AMCXJUKGGGUWBA-HZPDHXFCSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578134757 491670797 /nfs/dbraw/zinc/67/07/97/491670797.db2.gz CKKUPVABXDRIQB-FUHWJXTLSA-N 2 0 372.517 0.835 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000668465899 493359794 /nfs/dbraw/zinc/35/97/94/493359794.db2.gz MWTPTFPADMJJDV-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578504382 491678622 /nfs/dbraw/zinc/67/86/22/491678622.db2.gz BSOMOYHLDARNPZ-HOTGVXAUSA-N 2 0 363.510 0.804 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000578626687 491681142 /nfs/dbraw/zinc/68/11/42/491681142.db2.gz JKNXVWDSFJJQPV-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000579012659 491689084 /nfs/dbraw/zinc/68/90/84/491689084.db2.gz BOIBGTDXKMSIGG-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000579130156 491691714 /nfs/dbraw/zinc/69/17/14/491691714.db2.gz NJTNERQCIJHYGE-IRXDYDNUSA-N 2 0 359.474 0.244 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000579212964 491693133 /nfs/dbraw/zinc/69/31/33/491693133.db2.gz CHKDZBYCJJJUPI-ZOBUZTSGSA-N 2 0 362.474 0.198 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000579265571 491694452 /nfs/dbraw/zinc/69/44/52/491694452.db2.gz DIYBJCRJCASCFH-IKGGRYGDSA-N 2 0 366.506 0.202 20 0 FCADRP CS[C@@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000579391863 491697145 /nfs/dbraw/zinc/69/71/45/491697145.db2.gz IDPSKMJEBMDFLJ-LSDHHAIUSA-N 2 0 358.552 0.729 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCCCC1 ZINC000579394438 491697239 /nfs/dbraw/zinc/69/72/39/491697239.db2.gz NJMUZJLEMOAVSE-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579700057 491703151 /nfs/dbraw/zinc/70/31/51/491703151.db2.gz LOPWFJALXSTXKN-YFHUEUNASA-N 2 0 360.502 0.530 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000579931227 491709418 /nfs/dbraw/zinc/70/94/18/491709418.db2.gz UTFGYXMIEMSUOL-IAGOWNOFSA-N 2 0 353.511 0.032 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580053987 491715116 /nfs/dbraw/zinc/71/51/16/491715116.db2.gz SUDNXAPAMMZIMF-JZXOWHBKSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000580311448 491725354 /nfs/dbraw/zinc/72/53/54/491725354.db2.gz KQVLWJJYGCHNLA-GOEBONIOSA-N 2 0 350.507 0.633 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)NCC[NH+]1CCCCCC1 ZINC000580613194 491738752 /nfs/dbraw/zinc/73/87/52/491738752.db2.gz ZQIDZCXWMKZWJZ-DLBZAZTESA-N 2 0 365.522 0.905 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000580710252 491742463 /nfs/dbraw/zinc/74/24/63/491742463.db2.gz XLHNCTOXXBKVOK-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000580763229 491744450 /nfs/dbraw/zinc/74/44/50/491744450.db2.gz CFOBXDJGCGGHTH-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000580883256 491750004 /nfs/dbraw/zinc/75/00/04/491750004.db2.gz DUEHBHNVQIVQTM-UHFFFAOYSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882629 491750064 /nfs/dbraw/zinc/75/00/64/491750064.db2.gz GFAJBRMXPCQVMT-BNOWGMLFSA-N 2 0 363.428 0.604 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542704 493360568 /nfs/dbraw/zinc/36/05/68/493360568.db2.gz FZBHJTSHILQDCJ-SJLPKXTDSA-N 2 0 371.485 0.673 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135337 491760923 /nfs/dbraw/zinc/76/09/23/491760923.db2.gz FBVJNVLYGAOXPZ-JKSUJKDBSA-N 2 0 363.510 0.500 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000581548344 491777162 /nfs/dbraw/zinc/77/71/62/491777162.db2.gz DNLKSHXWQBOGMF-UONOGXRCSA-N 2 0 350.463 0.485 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000590497126 491777877 /nfs/dbraw/zinc/77/78/77/491777877.db2.gz QCPIQZYFKGSRCR-SFHVURJKSA-N 2 0 352.523 0.727 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581777607 491785884 /nfs/dbraw/zinc/78/58/84/491785884.db2.gz BTZGBINDOIHUBF-CVEARBPZSA-N 2 0 367.538 0.105 20 0 FCADRP CC(=O)N1CCN(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891534 491789190 /nfs/dbraw/zinc/78/91/90/491789190.db2.gz OBZJKKKIUKLFNX-ICSRJNTNSA-N 2 0 358.486 0.996 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N3CCN(CCOC)CC3)CC2)CC1 ZINC000582130894 491799394 /nfs/dbraw/zinc/79/93/94/491799394.db2.gz QLNBBESJVJETID-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP Cn1c2ncn(CCN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291788 491805797 /nfs/dbraw/zinc/80/57/97/491805797.db2.gz VMRYVWYORHWMCH-KBPBESRZSA-N 2 0 360.462 0.040 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582290629 491805941 /nfs/dbraw/zinc/80/59/41/491805941.db2.gz LWGDKROIYIMAQM-CABCVRRESA-N 2 0 351.495 0.370 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000582349648 491808622 /nfs/dbraw/zinc/80/86/22/491808622.db2.gz OJTXJWZJJIPKEH-DNVCBOLYSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000582434708 491812689 /nfs/dbraw/zinc/81/26/89/491812689.db2.gz HSUXFYHEJKINGR-IGCXYCKISA-N 2 0 354.520 0.281 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000582487167 491815030 /nfs/dbraw/zinc/81/50/30/491815030.db2.gz YBHVTVONMNVMBW-QXSJWSMHSA-N 2 0 356.511 0.482 20 0 FCADRP CN1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000582655791 491821289 /nfs/dbraw/zinc/82/12/89/491821289.db2.gz HNJSNNJQBJZNDX-RYQLBKOJSA-N 2 0 363.481 0.803 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000582925707 491832569 /nfs/dbraw/zinc/83/25/69/491832569.db2.gz WKXMYKOMTXERQS-QGZVFWFLSA-N 2 0 368.522 0.405 20 0 FCADRP C[NH2+][C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)c1cnn(C)c1 ZINC000582966691 491834501 /nfs/dbraw/zinc/83/45/01/491834501.db2.gz QQCUBKFACPYTGH-GOSISDBHSA-N 2 0 371.489 0.486 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000583260703 491841005 /nfs/dbraw/zinc/84/10/05/491841005.db2.gz ZGGFVLFRAQTYAT-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000583312703 491842164 /nfs/dbraw/zinc/84/21/64/491842164.db2.gz JAEMYCKLIFQAGD-LISAXSMJSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000583371989 491843540 /nfs/dbraw/zinc/84/35/40/491843540.db2.gz WTIBLHPRWSSTIB-RDJZCZTQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000583494068 491846023 /nfs/dbraw/zinc/84/60/23/491846023.db2.gz IPCBAGRYDUNVSJ-LAUBAEHRSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000583637173 491849198 /nfs/dbraw/zinc/84/91/98/491849198.db2.gz DPFLIGAFEABPRM-FVPDABNVSA-N 2 0 351.495 0.462 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000583708547 491850597 /nfs/dbraw/zinc/85/05/97/491850597.db2.gz DZDUAWBCMANBFH-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000583862118 491853379 /nfs/dbraw/zinc/85/33/79/491853379.db2.gz CKGHNHPIFLZGPM-HIFRSBDPSA-N 2 0 352.479 0.302 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584288962 491862328 /nfs/dbraw/zinc/86/23/28/491862328.db2.gz NFQVWPPHQUOSCU-SFHVURJKSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000611757587 491872665 /nfs/dbraw/zinc/87/26/65/491872665.db2.gz GAZMMLHRQXFTEE-CVEARBPZSA-N 2 0 350.507 0.990 20 0 FCADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310780 491916425 /nfs/dbraw/zinc/91/64/25/491916425.db2.gz FKIBARZMWWSKIP-IAGOWNOFSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000612484906 491924343 /nfs/dbraw/zinc/92/43/43/491924343.db2.gz IWTLPZINENYPAX-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000612484419 491924697 /nfs/dbraw/zinc/92/46/97/491924697.db2.gz BONKCGMLONLWEA-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000612484421 491924787 /nfs/dbraw/zinc/92/47/87/491924787.db2.gz BONKCGMLONLWEA-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546986 491932513 /nfs/dbraw/zinc/93/25/13/491932513.db2.gz XRYQXGZMUWOICU-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612919894 491958316 /nfs/dbraw/zinc/95/83/16/491958316.db2.gz ZSKJROLPRSCLSV-GOEBONIOSA-N 2 0 361.494 0.446 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913756 491958620 /nfs/dbraw/zinc/95/86/20/491958620.db2.gz DJVROHGEHVABEQ-GJZGRUSLSA-N 2 0 361.494 0.460 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612919895 491958698 /nfs/dbraw/zinc/95/86/98/491958698.db2.gz ZSKJROLPRSCLSV-HOCLYGCPSA-N 2 0 361.494 0.446 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000602062529 491959223 /nfs/dbraw/zinc/95/92/23/491959223.db2.gz BRHSHXNZMOMUES-UHFFFAOYSA-N 2 0 369.506 0.736 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000595894684 491959929 /nfs/dbraw/zinc/95/99/29/491959929.db2.gz YLMVPKNRUNGTMS-OWCLPIDISA-N 2 0 353.463 0.369 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612972311 491960290 /nfs/dbraw/zinc/96/02/90/491960290.db2.gz WWZXIYXBZVQQGE-QGZVFWFLSA-N 2 0 373.501 0.919 20 0 FCADRP C[NH+](C)C1(C(=O)NCCC2CCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC000614542453 492038242 /nfs/dbraw/zinc/03/82/42/492038242.db2.gz ZFVBYMCJHLAURE-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(COC1CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000604975881 492078898 /nfs/dbraw/zinc/07/88/98/492078898.db2.gz QLKBMLIEUDXNJF-UHFFFAOYSA-N 2 0 362.474 0.906 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000605985839 492110259 /nfs/dbraw/zinc/11/02/59/492110259.db2.gz PHOKQZUXAOPEEQ-MSOLQXFVSA-N 2 0 367.538 0.255 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000606665752 492125882 /nfs/dbraw/zinc/12/58/82/492125882.db2.gz ODIRAKFDYCPHSE-DLBZAZTESA-N 2 0 367.538 0.911 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691941 492126692 /nfs/dbraw/zinc/12/66/92/492126692.db2.gz DOUJGETYRIGDFE-WMZOPIPTSA-N 2 0 367.538 0.422 20 0 FCADRP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CCOCC1 ZINC000607229382 492141844 /nfs/dbraw/zinc/14/18/44/492141844.db2.gz UNTLZQDLXDUNJG-KRWDZBQOSA-N 2 0 357.543 0.478 20 0 FCADRP C[C@@H]1CC(=O)NCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000608660451 492184598 /nfs/dbraw/zinc/18/45/98/492184598.db2.gz XYTDAUWIGDGXLS-MRXNPFEDSA-N 2 0 374.489 0.514 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000617976378 492208249 /nfs/dbraw/zinc/20/82/49/492208249.db2.gz XKGPVDZCXIVKBM-IBGZPJMESA-N 2 0 357.502 0.800 20 0 FCADRP CN(CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000619324318 492260781 /nfs/dbraw/zinc/26/07/81/492260781.db2.gz JUOVPGYNIQVTNK-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000647495030 492298257 /nfs/dbraw/zinc/29/82/57/492298257.db2.gz LECDUXMZNOGOCG-NEPJUHHUSA-N 2 0 354.426 0.947 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2(CCCC2)O1 ZINC000647558423 492305596 /nfs/dbraw/zinc/30/55/96/492305596.db2.gz IWTDVTHAZNGULY-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000641825684 492311037 /nfs/dbraw/zinc/31/10/37/492311037.db2.gz WARYVORCTOAQGF-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C)CN1Cc1ccccc1 ZINC000627473969 492311317 /nfs/dbraw/zinc/31/13/17/492311317.db2.gz ARIRBWOBARQSQH-NUJGCVRESA-N 2 0 374.485 0.212 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)CN1Cc1ccccc1 ZINC000627473971 492311752 /nfs/dbraw/zinc/31/17/52/492311752.db2.gz ARIRBWOBARQSQH-SOLBZPMBSA-N 2 0 374.485 0.212 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)CC1 ZINC000627483465 492317805 /nfs/dbraw/zinc/31/78/05/492317805.db2.gz GGUJAFLTQWXQMD-VUROTCPHSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)[NH+](C)C)cc1 ZINC000642047390 492329375 /nfs/dbraw/zinc/32/93/75/492329375.db2.gz ITVRCWZJYFJIBX-NXHRZFHOSA-N 2 0 358.486 0.924 20 0 FCADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000634249870 492330188 /nfs/dbraw/zinc/33/01/88/492330188.db2.gz UQYFKZKEHFZSFH-UHFFFAOYSA-N 2 0 353.511 0.716 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000647594854 492331498 /nfs/dbraw/zinc/33/14/98/492331498.db2.gz SIRXSEBHMHCGBF-RDTXWAMCSA-N 2 0 358.486 0.918 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000642080266 492332408 /nfs/dbraw/zinc/33/24/08/492332408.db2.gz CQJLEVLDIOCGPJ-AVGNSLFASA-N 2 0 354.476 0.042 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642094917 492333866 /nfs/dbraw/zinc/33/38/66/492333866.db2.gz ROONYMSLJCJXOC-OKZBNKHCSA-N 2 0 358.486 0.486 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[NH+](C)C)c1 ZINC000642096122 492334246 /nfs/dbraw/zinc/33/42/46/492334246.db2.gz BWLAFYLKUDJTBM-WBAXXEDZSA-N 2 0 374.485 0.625 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000642100554 492334656 /nfs/dbraw/zinc/33/46/56/492334656.db2.gz YJYDAXGKVMAMRF-SZMVWBNQSA-N 2 0 374.485 0.514 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642101816 492335095 /nfs/dbraw/zinc/33/50/95/492335095.db2.gz SXIQJDRIOVCLHB-KSZLIROESA-N 2 0 356.470 0.588 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000647633926 492338697 /nfs/dbraw/zinc/33/86/97/492338697.db2.gz HRFBWCRUHVDLGB-IXDOHACOSA-N 2 0 357.458 0.856 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642189646 492339151 /nfs/dbraw/zinc/33/91/51/492339151.db2.gz DJETXGAIRLQFMA-ROUUACIJSA-N 2 0 374.485 0.128 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCC[NH2+]CC3)CC2)CC1 ZINC000642188651 492339423 /nfs/dbraw/zinc/33/94/23/492339423.db2.gz KBKFMIMANOLZTE-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642253914 492345243 /nfs/dbraw/zinc/34/52/43/492345243.db2.gz QISVQODXIIXFPQ-MSOLQXFVSA-N 2 0 374.485 0.201 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642253636 492345439 /nfs/dbraw/zinc/34/54/39/492345439.db2.gz CHIUPFVOHPITNH-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253658 492345451 /nfs/dbraw/zinc/34/54/51/492345451.db2.gz DXZMBLZSBTUDSJ-AEFFLSMTSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642253916 492345953 /nfs/dbraw/zinc/34/59/53/492345953.db2.gz QISVQODXIIXFPQ-ROUUACIJSA-N 2 0 374.485 0.201 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000642262599 492346549 /nfs/dbraw/zinc/34/65/49/492346549.db2.gz KABAKNQXPFIGGC-VYDXJSESSA-N 2 0 362.474 0.198 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000642262563 492346812 /nfs/dbraw/zinc/34/68/12/492346812.db2.gz BFWHTVFCBXIRDX-NXHRZFHOSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330477 492352334 /nfs/dbraw/zinc/35/23/34/492352334.db2.gz MBHYTLPLMJKQHB-ILXRZTDVSA-N 2 0 354.495 0.188 20 0 FCADRP Nc1nn2c(nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2=O)[nH]1 ZINC000621269228 492367732 /nfs/dbraw/zinc/36/77/32/492367732.db2.gz OEKIVZGYXWAGGK-UHFFFAOYSA-N 2 0 359.478 0.918 20 0 FCADRP O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640875 492369432 /nfs/dbraw/zinc/36/94/32/492369432.db2.gz HWZPKZGUVXSUTP-GUDVDZBRSA-N 2 0 370.497 0.835 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000642719903 492379438 /nfs/dbraw/zinc/37/94/38/492379438.db2.gz KTBCFPSZEFKRRY-GOSISDBHSA-N 2 0 373.501 0.619 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000642722791 492379598 /nfs/dbraw/zinc/37/95/98/492379598.db2.gz BZHBVQSZPXNYMI-ZACQAIPSSA-N 2 0 368.522 0.434 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000642722790 492380190 /nfs/dbraw/zinc/38/01/90/492380190.db2.gz BZHBVQSZPXNYMI-GVDBMIGSSA-N 2 0 368.522 0.434 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642733006 492382572 /nfs/dbraw/zinc/38/25/72/492382572.db2.gz PRIPEYGEECMIGF-SFHVURJKSA-N 2 0 358.486 0.809 20 0 FCADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642733857 492382799 /nfs/dbraw/zinc/38/27/99/492382799.db2.gz WTNVUXOMTQLZTP-KRWDZBQOSA-N 2 0 358.486 0.664 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642759509 492386798 /nfs/dbraw/zinc/38/67/98/492386798.db2.gz FVLRZRLXIMNJEP-NXHRZFHOSA-N 2 0 358.486 0.881 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000642793724 492393120 /nfs/dbraw/zinc/39/31/20/492393120.db2.gz RKEGHLUXSMPXTC-OAHLLOKOSA-N 2 0 352.479 0.006 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642798889 492394835 /nfs/dbraw/zinc/39/48/35/492394835.db2.gz HSYPAGYBKXROSQ-ONIAQPFYSA-N 2 0 374.485 0.340 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000642798909 492394857 /nfs/dbraw/zinc/39/48/57/492394857.db2.gz RUJFFOVZCHZTFV-YSHGAJCASA-N 2 0 370.497 0.976 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642801821 492396056 /nfs/dbraw/zinc/39/60/56/492396056.db2.gz KPAVGCJTSCSSGH-MJGOQNOKSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642893895 492397283 /nfs/dbraw/zinc/39/72/83/492397283.db2.gz DKUPLPGCSKZYQT-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902296 492398923 /nfs/dbraw/zinc/39/89/23/492398923.db2.gz OYJYOMUMBGLMNP-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000648105473 492399218 /nfs/dbraw/zinc/39/92/18/492399218.db2.gz BIWYMQSHFAMHCF-BFHYXJOUSA-N 2 0 358.433 0.338 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000642906036 492401006 /nfs/dbraw/zinc/40/10/06/492401006.db2.gz YVAPCSGWAKFZLZ-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642918144 492402853 /nfs/dbraw/zinc/40/28/53/492402853.db2.gz OLXXMULRTKMXPE-CALCHBBNSA-N 2 0 356.470 0.445 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919827 492403891 /nfs/dbraw/zinc/40/38/91/492403891.db2.gz IXKNNSDOBCESNT-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000642958608 492406403 /nfs/dbraw/zinc/40/64/03/492406403.db2.gz ZIQXZYGYZWPJHF-NUEKZKHPSA-N 2 0 366.506 0.406 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643003994 492412596 /nfs/dbraw/zinc/41/25/96/492412596.db2.gz HPPFISJVHZLRBJ-QZTJIDSGSA-N 2 0 374.485 0.214 20 0 FCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000648178234 492412785 /nfs/dbraw/zinc/41/27/85/492412785.db2.gz HMFDHUXJLJYIJL-CABCVRRESA-N 2 0 351.495 0.498 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642990618 492413003 /nfs/dbraw/zinc/41/30/03/492413003.db2.gz NFKQYIIAZYEXDG-UHFFFAOYSA-N 2 0 368.522 0.453 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627921470 492419445 /nfs/dbraw/zinc/41/94/45/492419445.db2.gz FCXMHSYSEOOICO-BPQIPLTHSA-N 2 0 358.486 0.910 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621838778 492422369 /nfs/dbraw/zinc/42/23/69/492422369.db2.gz JDJOICSSXUHRJX-SPYBWZPUSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480975 492476913 /nfs/dbraw/zinc/47/69/13/492476913.db2.gz HROIPZAXWGGNTI-SJLPKXTDSA-N 2 0 374.485 0.296 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000643484612 492478257 /nfs/dbraw/zinc/47/82/57/492478257.db2.gz HSVQKVRXXSQMBN-SFHVURJKSA-N 2 0 358.486 0.850 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000643486710 492479109 /nfs/dbraw/zinc/47/91/09/492479109.db2.gz DFORIKBSMXDWNZ-QGZVFWFLSA-N 2 0 366.506 0.014 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)o1 ZINC000643494313 492481551 /nfs/dbraw/zinc/48/15/51/492481551.db2.gz QHFYMPOZKZUUSF-NVXWUHKLSA-N 2 0 362.474 0.689 20 0 FCADRP Cc1coc(CC(=O)N(C)CC[NH+](C)C)c1C(=O)N(C)CC[NH+](C)C ZINC000635641426 492484361 /nfs/dbraw/zinc/48/43/61/492484361.db2.gz TYPUPLFZOLWZGN-UHFFFAOYSA-N 2 0 352.479 0.784 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(C)([NH3+])CC3)CC2)c1 ZINC000643510496 492485542 /nfs/dbraw/zinc/48/55/42/492485542.db2.gz UDBUFDRLRZXTPS-UHFFFAOYSA-N 2 0 361.446 0.079 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000643511215 492485844 /nfs/dbraw/zinc/48/58/44/492485844.db2.gz SNACTVPLZIVBFI-CVEARBPZSA-N 2 0 356.511 0.389 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CCO1 ZINC000643524298 492490250 /nfs/dbraw/zinc/49/02/50/492490250.db2.gz DWMFXAHVUOBTGQ-ZFWWWQNUSA-N 2 0 368.503 0.213 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531799 492491402 /nfs/dbraw/zinc/49/14/02/492491402.db2.gz LRCARXOKQHFKJE-RYQLBKOJSA-N 2 0 374.485 0.294 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000643532117 492492122 /nfs/dbraw/zinc/49/21/22/492492122.db2.gz NANKWYYAFNQBKR-HOCLYGCPSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643539819 492493461 /nfs/dbraw/zinc/49/34/61/492493461.db2.gz VIKFVYHQCXTADO-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000643539754 492493930 /nfs/dbraw/zinc/49/39/30/492493930.db2.gz CMGMUTWUVRRZNL-HNNXBMFYSA-N 2 0 354.495 0.286 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000635703958 492494331 /nfs/dbraw/zinc/49/43/31/492494331.db2.gz PNKHCPMUKIHMJU-IBGZPJMESA-N 2 0 372.513 0.926 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643545300 492496165 /nfs/dbraw/zinc/49/61/65/492496165.db2.gz XKTCRTDNKNHFSY-MLHJIOFPSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1C[NH3+] ZINC000643549797 492497167 /nfs/dbraw/zinc/49/71/67/492497167.db2.gz QVMZATWJXXNIBY-YFHUEUNASA-N 2 0 362.518 0.905 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643550011 492497567 /nfs/dbraw/zinc/49/75/67/492497567.db2.gz TVHDYUSKJFNZSN-BVPBIZIASA-N 2 0 374.460 0.631 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643567606 492499356 /nfs/dbraw/zinc/49/93/56/492499356.db2.gz XOJUIBXNLIDIDM-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCO1 ZINC000643577749 492499704 /nfs/dbraw/zinc/49/97/04/492499704.db2.gz SRAYRDRNLRAUFW-GOEBONIOSA-N 2 0 366.462 0.135 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCO1 ZINC000643577747 492499801 /nfs/dbraw/zinc/49/98/01/492499801.db2.gz SRAYRDRNLRAUFW-GDBMZVCRSA-N 2 0 366.462 0.135 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643590320 492501707 /nfs/dbraw/zinc/50/17/07/492501707.db2.gz OHWVFFNSHNVNBH-WBVHZDCISA-N 2 0 362.474 0.770 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C2)C1 ZINC000643594090 492503571 /nfs/dbraw/zinc/50/35/71/492503571.db2.gz BOWPAYFFYGSSEU-XAUMDUMWSA-N 2 0 374.460 0.633 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000649132987 492503694 /nfs/dbraw/zinc/50/36/94/492503694.db2.gz WHWDVRQOJFLXMB-OAQYLSRUSA-N 2 0 373.497 0.947 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643594500 492503770 /nfs/dbraw/zinc/50/37/70/492503770.db2.gz IIPCVCANYRSFIZ-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C1(CNC(=O)c2ccc3nnnn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000643606749 492505002 /nfs/dbraw/zinc/50/50/02/492505002.db2.gz YIEYOMFNWZYBTD-UHFFFAOYSA-N 2 0 365.441 0.848 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649277518 492517585 /nfs/dbraw/zinc/51/75/85/492517585.db2.gz BVIQDHQCUKMTPB-IAGOWNOFSA-N 2 0 370.457 0.443 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000656022432 492520537 /nfs/dbraw/zinc/52/05/37/492520537.db2.gz GPGWBUZLEAAFAY-KGLIPLIRSA-N 2 0 354.495 0.548 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH+](C3CCCC3)CC2)nn1 ZINC000649285983 492523087 /nfs/dbraw/zinc/52/30/87/492523087.db2.gz GVBSUYCKBKADMQ-DOTOQJQBSA-N 2 0 362.478 0.067 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000649302069 492527358 /nfs/dbraw/zinc/52/73/58/492527358.db2.gz RXKQCSXYBMYMCZ-HLLBOEOZSA-N 2 0 362.478 0.067 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315708 492529598 /nfs/dbraw/zinc/52/95/98/492529598.db2.gz CVERYRYLMXDELH-JKSUJKDBSA-N 2 0 360.458 0.558 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649313998 492529862 /nfs/dbraw/zinc/52/98/62/492529862.db2.gz GKUJRWDNLUQKET-KRWDZBQOSA-N 2 0 374.485 0.601 20 0 FCADRP C[C@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635928157 492529964 /nfs/dbraw/zinc/52/99/64/492529964.db2.gz YUKUZDJXNGAXMG-IAGOWNOFSA-N 3 0 369.554 0.269 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321229 492532105 /nfs/dbraw/zinc/53/21/05/492532105.db2.gz PEZKBWXOJCQEAO-QZTJIDSGSA-N 2 0 374.485 0.236 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nn1 ZINC000649322369 492533498 /nfs/dbraw/zinc/53/34/98/492533498.db2.gz PKTVATXRPSBNQB-YQQAZPJKSA-N 2 0 362.478 0.067 20 0 FCADRP COCC(COC)N1CCN(C(=O)c2cc(-n3ccnc3)ccc2O)CC1 ZINC000636021990 492539974 /nfs/dbraw/zinc/53/99/74/492539974.db2.gz IBHUWYWAWBFHJI-UHFFFAOYSA-N 2 0 374.441 0.997 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347335 492543109 /nfs/dbraw/zinc/54/31/09/492543109.db2.gz QWZQVIZALSPIJT-LSDHHAIUSA-N 2 0 360.458 0.601 20 0 FCADRP O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649419470 492553110 /nfs/dbraw/zinc/55/31/10/492553110.db2.gz QKNWZBGFYBUNPH-QZTJIDSGSA-N 2 0 364.534 0.822 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656320896 492591687 /nfs/dbraw/zinc/59/16/87/492591687.db2.gz XCMYJMUQXZTFAM-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360638 492612707 /nfs/dbraw/zinc/61/27/07/492612707.db2.gz UTTUSZMXQYQZIY-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000636536380 492613279 /nfs/dbraw/zinc/61/32/79/492613279.db2.gz FWQXYTFBSMSFRW-MRXNPFEDSA-N 2 0 350.463 0.493 20 0 FCADRP Nc1nc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000624212645 492627727 /nfs/dbraw/zinc/62/77/27/492627727.db2.gz QQKLQBCNOMABNV-OAHLLOKOSA-N 2 0 354.462 0.093 20 0 FCADRP O[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000629558504 492644594 /nfs/dbraw/zinc/64/45/94/492644594.db2.gz BASPJUWHPVHLDH-SFHVURJKSA-N 3 0 362.522 0.425 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644195563 492666229 /nfs/dbraw/zinc/66/62/29/492666229.db2.gz DAFYYNOVVWCBDQ-MRXNPFEDSA-N 2 0 373.501 0.677 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624787024 492683534 /nfs/dbraw/zinc/68/35/34/492683534.db2.gz OLALZXBITBMCMD-GOEBONIOSA-N 2 0 351.495 0.765 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000629812884 492685188 /nfs/dbraw/zinc/68/51/88/492685188.db2.gz UYZHBQKLMCBCRX-KRWDZBQOSA-N 2 0 366.506 0.014 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000629815654 492686058 /nfs/dbraw/zinc/68/60/58/492686058.db2.gz RINSWYYILISMEG-IRXDYDNUSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3([NH2+]C)CCC3)O2)CCC1 ZINC000630004018 492713197 /nfs/dbraw/zinc/71/31/97/492713197.db2.gz WWXGUERXITUXDC-OKILXGFUSA-N 2 0 352.479 0.051 20 0 FCADRP C[NH2+]C1(CNC(=O)c2ccnc(C(=O)NCC3([NH2+]C)CCC3)c2)CCC1 ZINC000630001026 492713337 /nfs/dbraw/zinc/71/33/37/492713337.db2.gz VOJLTTKEXUBBRJ-UHFFFAOYSA-N 2 0 359.474 0.825 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651178357 492718655 /nfs/dbraw/zinc/71/86/55/492718655.db2.gz HIPUXNCJHJOBSQ-MSOLQXFVSA-N 2 0 353.507 0.914 20 0 FCADRP CCN1C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317225 492741801 /nfs/dbraw/zinc/74/18/01/492741801.db2.gz GQEKPYFKOVXHMJ-DLBZAZTESA-N 2 0 367.538 0.912 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636987746 492743513 /nfs/dbraw/zinc/74/35/13/492743513.db2.gz CEAGAMWMNOWCAA-INIZCTEOSA-N 2 0 356.511 0.897 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644444323 492755919 /nfs/dbraw/zinc/75/59/19/492755919.db2.gz VZMQCVXVYBXWFR-KFWWJZLASA-N 2 0 350.467 0.554 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCCc3cccc(C[NH3+])c32)nn1 ZINC000630704190 492767481 /nfs/dbraw/zinc/76/74/81/492767481.db2.gz LTPNPIAVEGAYRK-DOTOQJQBSA-N 2 0 370.457 0.418 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](O)C2)CC1(C)C ZINC000644497333 492773326 /nfs/dbraw/zinc/77/33/26/492773326.db2.gz DMAFSKNANRULLF-BBWFWOEESA-N 2 0 367.538 0.299 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631035523 492794364 /nfs/dbraw/zinc/79/43/64/492794364.db2.gz KLQMAERBSLYEHJ-UHFFFAOYSA-N 2 0 360.911 0.715 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000657838460 492801554 /nfs/dbraw/zinc/80/15/54/492801554.db2.gz BFZGOCWBFZKKGQ-UHFFFAOYSA-N 2 0 373.457 0.418 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196436 492803444 /nfs/dbraw/zinc/80/34/44/492803444.db2.gz RPXUIEHEXGQRCU-NVXWUHKLSA-N 2 0 356.470 0.942 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870262 492806414 /nfs/dbraw/zinc/80/64/14/492806414.db2.gz ISFFUYMQVXMNDY-INIZCTEOSA-N 2 0 359.474 0.530 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873518 492807631 /nfs/dbraw/zinc/80/76/31/492807631.db2.gz IPNWQJLPMXTHCU-FQEVSTJZSA-N 2 0 371.485 0.675 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657874467 492808813 /nfs/dbraw/zinc/80/88/13/492808813.db2.gz VJWUHPVXDDOYBY-QGZVFWFLSA-N 2 0 359.474 0.673 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C2CC2)C1 ZINC000651715807 492811599 /nfs/dbraw/zinc/81/15/99/492811599.db2.gz OULZYSCMBVHNAQ-CQSZACIVSA-N 2 0 362.478 0.326 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637374870 492815118 /nfs/dbraw/zinc/81/51/18/492815118.db2.gz KWERXECUCQLMBP-HNNXBMFYSA-N 2 0 353.511 0.842 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000651848995 492834523 /nfs/dbraw/zinc/83/45/23/492834523.db2.gz PLRCYIQZTZXMIC-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631758548 492847312 /nfs/dbraw/zinc/84/73/12/492847312.db2.gz CPAMAVPWCRNIKP-QZTJIDSGSA-N 2 0 374.595 0.911 20 0 FCADRP CCCC[NH+]1CCC(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631806685 492856529 /nfs/dbraw/zinc/85/65/29/492856529.db2.gz LGASTMDUUBAZNR-UHFFFAOYSA-N 2 0 360.568 0.808 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631857018 492864693 /nfs/dbraw/zinc/86/46/93/492864693.db2.gz CJKQIECRYXFMQW-CALCHBBNSA-N 2 0 360.568 0.758 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000637813193 492869781 /nfs/dbraw/zinc/86/97/81/492869781.db2.gz LVQFQKHQFYXONJ-DOTOQJQBSA-N 2 0 360.458 0.365 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645154515 492874072 /nfs/dbraw/zinc/87/40/72/492874072.db2.gz GGJBGNCLBGZDLH-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000645183656 492876373 /nfs/dbraw/zinc/87/63/73/492876373.db2.gz LRXXHOWMKDSKNZ-KBPBESRZSA-N 2 0 350.488 0.869 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000631911141 492877662 /nfs/dbraw/zinc/87/76/62/492877662.db2.gz WSIRPGSPPPVJKY-ZWKOTPCHSA-N 2 0 363.506 0.942 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652154391 492887744 /nfs/dbraw/zinc/88/77/44/492887744.db2.gz DKKREGWUHDECPI-VVLHAWIVSA-N 2 0 354.495 0.635 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000652153907 492887884 /nfs/dbraw/zinc/88/78/84/492887884.db2.gz RQNFFEZPIUYISZ-KRWDZBQOSA-N 2 0 353.511 0.082 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000631943530 492894279 /nfs/dbraw/zinc/89/42/79/492894279.db2.gz YQTPHEVJAGPIRQ-SJORKVTESA-N 2 0 358.552 0.560 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCCN3CC[NH2+]CC3)C2)C1 ZINC000652200926 492894675 /nfs/dbraw/zinc/89/46/75/492894675.db2.gz OEOOJTDAPOSVKC-ZACQAIPSSA-N 2 0 353.511 0.210 20 0 FCADRP C[C@@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@@H]1CCC[NH3+] ZINC000631951829 492896470 /nfs/dbraw/zinc/89/64/70/492896470.db2.gz RJNLZFRULRINGJ-IAGOWNOFSA-N 2 0 360.568 0.793 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638098815 492905051 /nfs/dbraw/zinc/90/50/51/492905051.db2.gz PLMJFYWESDEPPA-SFHVURJKSA-N 2 0 362.474 0.708 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000638112401 492909388 /nfs/dbraw/zinc/90/93/88/492909388.db2.gz LDEBRYPLTMREPH-GOSISDBHSA-N 2 0 362.474 0.754 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000632018854 492911166 /nfs/dbraw/zinc/91/11/66/492911166.db2.gz KMCKJZDZNNERDK-IAGOWNOFSA-N 2 0 360.568 0.758 20 0 FCADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346794 492913497 /nfs/dbraw/zinc/91/34/97/492913497.db2.gz IKRDLFRARFKOBB-XHSDSOJGSA-N 2 0 354.495 0.189 20 0 FCADRP COC[C@]1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000645507821 492916213 /nfs/dbraw/zinc/91/62/13/492916213.db2.gz XHQWWGBRUHKVOM-FQEVSTJZSA-N 2 0 360.502 0.676 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652375937 492919514 /nfs/dbraw/zinc/91/95/14/492919514.db2.gz KMFOPRDQNHWGOF-RDJZCZTQSA-N 2 0 369.535 0.811 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638218197 492922782 /nfs/dbraw/zinc/92/27/82/492922782.db2.gz DVHPADFZRPIUJK-KBPBESRZSA-N 2 0 360.380 0.647 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632084409 492925976 /nfs/dbraw/zinc/92/59/76/492925976.db2.gz BHBMZEPGVWHWAE-KURKYZTESA-N 2 0 374.595 0.910 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@H]3C[NH2+]CCCO3)cc21 ZINC000638264263 492926192 /nfs/dbraw/zinc/92/61/92/492926192.db2.gz FTFRWQDOPKDKMB-AWEZNQCLSA-N 2 0 361.446 0.412 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000652458696 492938882 /nfs/dbraw/zinc/93/88/82/492938882.db2.gz UDQYQMKHENGXKE-KRWDZBQOSA-N 2 0 350.507 0.875 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000632197016 492947931 /nfs/dbraw/zinc/94/79/31/492947931.db2.gz FTQDWLAYTBSYAW-QGZVFWFLSA-N 2 0 355.504 0.624 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638524517 492958055 /nfs/dbraw/zinc/95/80/55/492958055.db2.gz PSOCWOGUVYFSHQ-UHFFFAOYSA-N 2 0 354.539 0.754 20 0 FCADRP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000645781532 492975299 /nfs/dbraw/zinc/97/52/99/492975299.db2.gz VWVRLQIQYRBTPS-YJBOKZPZSA-N 2 0 358.486 0.808 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000645819329 492977398 /nfs/dbraw/zinc/97/73/98/492977398.db2.gz LCUQJUXZCFNMHO-SFHVURJKSA-N 2 0 362.478 0.328 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638793352 492979384 /nfs/dbraw/zinc/97/93/84/492979384.db2.gz UGYKRSQERBNOHR-QGZVFWFLSA-N 2 0 353.507 0.962 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)C1=O ZINC000638855987 492982469 /nfs/dbraw/zinc/98/24/69/492982469.db2.gz KCLKDVKQURBICS-DLBZAZTESA-N 2 0 362.449 0.679 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903948 492985328 /nfs/dbraw/zinc/98/53/28/492985328.db2.gz JGDQJSSBMOPPAU-FUHWJXTLSA-N 2 0 369.473 0.817 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684572 492989786 /nfs/dbraw/zinc/98/97/86/492989786.db2.gz ROWUBUHKKYARPG-LUKYLMHMSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987109 492990181 /nfs/dbraw/zinc/99/01/81/492990181.db2.gz LJMAUIVDWBQASN-GJZGRUSLSA-N 2 0 371.441 0.605 20 0 FCADRP Cn1cc(N2C[C@H](C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)CC2=O)cn1 ZINC000638983216 492990357 /nfs/dbraw/zinc/99/03/57/492990357.db2.gz CZXJFRATPYHTAA-CYBMUJFWSA-N 2 0 369.429 0.216 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnc2sccn2c1=O ZINC000638987667 492991001 /nfs/dbraw/zinc/99/10/01/492991001.db2.gz VXSNKJVFZSNFQT-UHFFFAOYSA-N 2 0 356.411 0.813 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693219 492991900 /nfs/dbraw/zinc/99/19/00/492991900.db2.gz PPEBSOJPAZSLQL-GVDBMIGSSA-N 2 0 368.522 0.579 20 0 FCADRP CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000645952742 492992120 /nfs/dbraw/zinc/99/21/20/492992120.db2.gz MPUFPKDIEYPMMD-IRXDYDNUSA-N 2 0 358.486 0.998 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@@H](C[NH3+])c3ccccc32)nn1 ZINC000639064955 492994517 /nfs/dbraw/zinc/99/45/17/492994517.db2.gz NBLVYMJOCJPVCA-DHSIGJKJSA-N 2 0 370.457 0.459 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000652704538 492995507 /nfs/dbraw/zinc/99/55/07/492995507.db2.gz MXWFGJDHRZFHRX-MRXNPFEDSA-N 2 0 354.495 0.252 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003162 492998783 /nfs/dbraw/zinc/99/87/83/492998783.db2.gz VCVINLINPWAVDG-MSOLQXFVSA-N 2 0 360.506 0.660 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009513 493000247 /nfs/dbraw/zinc/00/02/47/493000247.db2.gz OPSPYJAQNVOOBP-OALUTQOASA-N 2 0 360.502 0.469 20 0 FCADRP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009512 493000311 /nfs/dbraw/zinc/00/03/11/493000311.db2.gz OPSPYJAQNVOOBP-MOPGFXCFSA-N 2 0 360.502 0.469 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009514 493000580 /nfs/dbraw/zinc/00/05/80/493000580.db2.gz OPSPYJAQNVOOBP-RBUKOAKNSA-N 2 0 360.502 0.469 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639171547 493001415 /nfs/dbraw/zinc/00/14/15/493001415.db2.gz WGMAHKBAQAEEBX-AWEZNQCLSA-N 2 0 358.508 0.775 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652724728 493004049 /nfs/dbraw/zinc/00/40/49/493004049.db2.gz LBUMDRRZDKRCBV-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000652737500 493014429 /nfs/dbraw/zinc/01/44/29/493014429.db2.gz LXSIOIZSEMABLH-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP CNS(=O)(=O)[C@@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639545125 493019170 /nfs/dbraw/zinc/01/91/70/493019170.db2.gz REIIZAOUEMCRGR-IAGOWNOFSA-N 2 0 353.488 0.247 20 0 FCADRP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616670 493023055 /nfs/dbraw/zinc/02/30/55/493023055.db2.gz CJOAXUZSQKHQJM-MOPGFXCFSA-N 2 0 358.442 0.297 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@@H]2C1 ZINC000626811428 493024568 /nfs/dbraw/zinc/02/45/68/493024568.db2.gz DKYDJRPQVXGXKP-CZUORRHYSA-N 2 0 358.442 0.660 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000632578837 493036462 /nfs/dbraw/zinc/03/64/62/493036462.db2.gz FTUFQUNYNQVZQK-GOSISDBHSA-N 2 0 372.579 0.665 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771406 493047008 /nfs/dbraw/zinc/04/70/08/493047008.db2.gz VYVXSEICNUXHMT-AEFFLSMTSA-N 2 0 353.507 0.887 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639849633 493055687 /nfs/dbraw/zinc/05/56/87/493055687.db2.gz PWLBXVYFQCCSMT-VNTMZGSJSA-N 2 0 364.486 0.322 20 0 FCADRP [NH3+]Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(C(F)(F)F)c1 ZINC000626915851 493062409 /nfs/dbraw/zinc/06/24/09/493062409.db2.gz YXDBOOVHRMCPDD-ZDUSSCGKSA-N 2 0 374.363 0.285 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626975499 493073122 /nfs/dbraw/zinc/07/31/22/493073122.db2.gz YACKFCSVHSWPJC-UPJWGTAASA-N 2 0 351.417 0.401 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000626982240 493074598 /nfs/dbraw/zinc/07/45/98/493074598.db2.gz DDVMICLYPLJNPW-RWMBFGLXSA-N 2 0 352.401 0.876 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124641 493075319 /nfs/dbraw/zinc/07/53/19/493075319.db2.gz CMRDKKMFDVWETI-QYZOEREBSA-N 2 0 364.534 0.770 20 0 FCADRP CN1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)([NH+]2CCCCC2)CC1 ZINC000653125137 493076223 /nfs/dbraw/zinc/07/62/23/493076223.db2.gz UBJQLIUNZRNEPS-LPHOPBHVSA-N 2 0 350.507 0.289 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653124825 493076261 /nfs/dbraw/zinc/07/62/61/493076261.db2.gz IIDPHDCVRDBGJH-IBGZPJMESA-N 2 0 367.582 0.920 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000653147841 493077296 /nfs/dbraw/zinc/07/72/96/493077296.db2.gz CIAVRQMDWILJCK-CVEARBPZSA-N 2 0 359.536 0.734 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627011958 493080030 /nfs/dbraw/zinc/08/00/30/493080030.db2.gz NJINSZONBYLMIR-QGZVFWFLSA-N 2 0 350.463 0.370 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019896 493082067 /nfs/dbraw/zinc/08/20/67/493082067.db2.gz UKEONGVMLGGRGA-SFHVURJKSA-N 2 0 364.490 0.894 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)C1 ZINC000653181308 493082157 /nfs/dbraw/zinc/08/21/57/493082157.db2.gz DOPIYMAKHFFEGS-JJXSEGSLSA-N 2 0 352.479 0.071 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627227485 493110835 /nfs/dbraw/zinc/11/08/35/493110835.db2.gz JXRBUMLTDROFBW-INIZCTEOSA-N 2 0 356.434 0.239 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC000627230716 493112521 /nfs/dbraw/zinc/11/25/21/493112521.db2.gz LHDGISJJXBQTMP-DOTOQJQBSA-N 2 0 361.494 0.686 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000627234743 493114811 /nfs/dbraw/zinc/11/48/11/493114811.db2.gz KPTZMVWOXNLGSI-HLLBOEOZSA-N 2 0 361.494 0.734 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633085306 493118392 /nfs/dbraw/zinc/11/83/92/493118392.db2.gz QFKHPWMDKDZQTI-GJZGRUSLSA-N 2 0 366.412 0.428 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259661 493121913 /nfs/dbraw/zinc/12/19/13/493121913.db2.gz XHBHHQHJWCPJRE-UXHICEINSA-N 2 0 372.513 0.715 20 0 FCADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000633115745 493132649 /nfs/dbraw/zinc/13/26/49/493132649.db2.gz WLCWEENBDXEXSF-WFXMLNOXSA-N 2 0 368.481 0.684 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000633143527 493135909 /nfs/dbraw/zinc/13/59/09/493135909.db2.gz MJVAQLDGZXKWOE-WBVHZDCISA-N 2 0 366.506 0.286 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627291743 493136134 /nfs/dbraw/zinc/13/61/34/493136134.db2.gz CWQAYOJAGWJLKI-SJORKVTESA-N 2 0 360.458 0.044 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000633150509 493136315 /nfs/dbraw/zinc/13/63/15/493136315.db2.gz YYBVLLNRQTUMFQ-GJZGRUSLSA-N 2 0 352.479 0.038 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291943 493136401 /nfs/dbraw/zinc/13/64/01/493136401.db2.gz ISFGKGDGSGFBLN-QZTJIDSGSA-N 2 0 358.486 0.834 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000627293291 493137350 /nfs/dbraw/zinc/13/73/50/493137350.db2.gz POEJAXQQRFJIEM-QGZVFWFLSA-N 2 0 362.474 0.756 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627293456 493137360 /nfs/dbraw/zinc/13/73/60/493137360.db2.gz UHYKBAPSEHCULD-WCQYABFASA-N 2 0 364.412 0.573 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000627305008 493143501 /nfs/dbraw/zinc/14/35/01/493143501.db2.gz LJDYWHOHZBYVRZ-LPWJVIDDSA-N 2 0 364.412 0.571 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627309974 493144849 /nfs/dbraw/zinc/14/48/49/493144849.db2.gz FFANIAPTJNDJAN-QGZVFWFLSA-N 2 0 360.458 0.003 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000627314168 493147370 /nfs/dbraw/zinc/14/73/70/493147370.db2.gz WVUKURGUTAYJMC-UHFFFAOYSA-N 2 0 356.536 0.662 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647058542 493155156 /nfs/dbraw/zinc/15/51/56/493155156.db2.gz PSNWYLTVAVIENI-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091756 493161802 /nfs/dbraw/zinc/16/18/02/493161802.db2.gz HKOIBAAYYZEUQQ-KSZLIROESA-N 2 0 371.485 0.303 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659441386 493177768 /nfs/dbraw/zinc/17/77/68/493177768.db2.gz SYLHXYKRHMIVNZ-PXAZEXFGSA-N 2 0 350.467 0.951 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627366341 493181148 /nfs/dbraw/zinc/18/11/48/493181148.db2.gz PLQRARUFUYPIJD-QGZVFWFLSA-N 2 0 362.474 0.058 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000659456119 493183006 /nfs/dbraw/zinc/18/30/06/493183006.db2.gz HVPOXHJVSAIYHS-ZACQAIPSSA-N 2 0 353.511 0.162 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000627368538 493183226 /nfs/dbraw/zinc/18/32/26/493183226.db2.gz XHUKAWUNKXHERU-NFAWXSAZSA-N 2 0 350.488 0.725 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659453310 493183980 /nfs/dbraw/zinc/18/39/80/493183980.db2.gz KYAXQCMVQINRMX-KZNAEPCWSA-N 2 0 363.481 0.816 20 0 FCADRP CC[C@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC[C@H]1[NH3+] ZINC000647270484 493188021 /nfs/dbraw/zinc/18/80/21/493188021.db2.gz ZXDVMVZKYLWYQW-LSDHHAIUSA-N 2 0 357.524 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659470734 493188633 /nfs/dbraw/zinc/18/86/33/493188633.db2.gz IKVYAHUYMDKLAH-ZDUSSCGKSA-N 2 0 350.467 0.808 20 0 FCADRP CC[N@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)CCC(F)(F)F ZINC000659485640 493192034 /nfs/dbraw/zinc/19/20/34/493192034.db2.gz WMPLAQRRZPNVOK-UHFFFAOYSA-N 2 0 364.372 0.714 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659508192 493202225 /nfs/dbraw/zinc/20/22/25/493202225.db2.gz OHKYGGDGSWQAQC-GOSISDBHSA-N 2 0 373.501 0.377 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627402216 493204136 /nfs/dbraw/zinc/20/41/36/493204136.db2.gz XRTYFMBVKSEZSU-QZTJIDSGSA-N 2 0 358.486 0.834 20 0 FCADRP COCC1(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659539316 493209616 /nfs/dbraw/zinc/20/96/16/493209616.db2.gz KHUHXYCRJQPPJU-INIZCTEOSA-N 2 0 354.495 0.555 20 0 FCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000666663790 493211878 /nfs/dbraw/zinc/21/18/78/493211878.db2.gz RFVAAJQNBLJPBH-UHFFFAOYSA-N 2 0 369.425 0.706 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000666663787 493212180 /nfs/dbraw/zinc/21/21/80/493212180.db2.gz RBQWWOMFJAECKX-UHFFFAOYSA-N 2 0 351.410 0.972 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)cc2C1 ZINC000666669066 493213162 /nfs/dbraw/zinc/21/31/62/493213162.db2.gz CONHYTVYEKQKDA-OAHLLOKOSA-N 2 0 371.485 0.923 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000659581241 493215869 /nfs/dbraw/zinc/21/58/69/493215869.db2.gz JFMKWEKVKWASMH-BBRMVZONSA-N 2 0 366.412 0.794 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659639557 493227392 /nfs/dbraw/zinc/22/73/92/493227392.db2.gz QFJUGJPSWIOYQM-HNNXBMFYSA-N 2 0 355.527 0.864 20 0 FCADRP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687577 493232661 /nfs/dbraw/zinc/23/26/61/493232661.db2.gz XQARDSUDWNTWDP-GOEBONIOSA-N 2 0 350.467 0.772 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000672695469 493234239 /nfs/dbraw/zinc/23/42/39/493234239.db2.gz HLISZMHZDNVDLX-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000672719422 493239243 /nfs/dbraw/zinc/23/92/43/493239243.db2.gz QUSKFGIASVTRPK-GFCCVEGCSA-N 2 0 353.467 0.420 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000672722982 493240235 /nfs/dbraw/zinc/24/02/35/493240235.db2.gz MSRQMBYXZFDGQV-KKUMJFAQSA-N 2 0 356.511 0.304 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659687768 493253302 /nfs/dbraw/zinc/25/33/02/493253302.db2.gz MLGPEKRDCDNNQL-RDJZCZTQSA-N 2 0 362.474 0.118 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659687767 493253600 /nfs/dbraw/zinc/25/36/00/493253600.db2.gz MLGPEKRDCDNNQL-NVXWUHKLSA-N 2 0 362.474 0.118 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000659688336 493254646 /nfs/dbraw/zinc/25/46/46/493254646.db2.gz XVPUCVNHIUKIRB-FCGDIQPGSA-N 2 0 370.497 0.881 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659694685 493257932 /nfs/dbraw/zinc/25/79/32/493257932.db2.gz MDMMEGHVUWKAFV-QAPCUYQASA-N 2 0 373.501 0.748 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659695082 493258037 /nfs/dbraw/zinc/25/80/37/493258037.db2.gz RHTMYORUNGRGHF-QGPMSJSTSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000659698840 493260130 /nfs/dbraw/zinc/26/01/30/493260130.db2.gz QHRCGNKWWIOIDS-MRXNPFEDSA-N 2 0 361.490 0.039 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000667151286 493262232 /nfs/dbraw/zinc/26/22/32/493262232.db2.gz GIUOLGMGHJSPBP-HNNXBMFYSA-N 2 0 350.467 0.508 20 0 FCADRP CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC[N@@H+]1CCO ZINC000672951385 493269842 /nfs/dbraw/zinc/26/98/42/493269842.db2.gz FGJSXLFYENLJNB-IAGOWNOFSA-N 2 0 368.522 0.728 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719534 493271263 /nfs/dbraw/zinc/27/12/63/493271263.db2.gz YSVHTLXLYQMFGP-DZKIICNBSA-N 2 0 366.506 0.739 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666518 493272982 /nfs/dbraw/zinc/27/29/82/493272982.db2.gz FQJVZKCQSJLGBY-ZWKOTPCHSA-N 2 0 352.523 0.774 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659726997 493274290 /nfs/dbraw/zinc/27/42/90/493274290.db2.gz NQVWJRPXRIHBGZ-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659730797 493276784 /nfs/dbraw/zinc/27/67/84/493276784.db2.gz VHVJAWJYECBXGF-HXUWFJFHSA-N 2 0 373.501 0.607 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659730270 493277034 /nfs/dbraw/zinc/27/70/34/493277034.db2.gz QYMVKXVDEKEPDM-SFHVURJKSA-N 2 0 373.501 0.750 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659731934 493277558 /nfs/dbraw/zinc/27/75/58/493277558.db2.gz HABUMPPBSGLUCX-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000659732252 493277674 /nfs/dbraw/zinc/27/76/74/493277674.db2.gz UMWRDULORCUKPT-FHWLQOOXSA-N 2 0 370.497 0.978 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659738642 493279953 /nfs/dbraw/zinc/27/99/53/493279953.db2.gz HIWJPFLJLDEZQT-BBWFWOEESA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000682222435 493280145 /nfs/dbraw/zinc/28/01/45/493280145.db2.gz VYQUBXDZXGXVIX-UHFFFAOYSA-N 2 0 363.462 0.045 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659739287 493280453 /nfs/dbraw/zinc/28/04/53/493280453.db2.gz QHMSZYYUYLEBPA-IMJJTQAJSA-N 2 0 352.479 0.084 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[C@@H]1[NH3+] ZINC000659754302 493286602 /nfs/dbraw/zinc/28/66/02/493286602.db2.gz DMCQIGQJJCVIKK-SJORKVTESA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000667536579 493288942 /nfs/dbraw/zinc/28/89/42/493288942.db2.gz CZIHBKDIWCMPLU-WMLDXEAASA-N 2 0 360.458 0.776 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000667558013 493289853 /nfs/dbraw/zinc/28/98/53/493289853.db2.gz RFQGGSPCPQSZRE-HNNXBMFYSA-N 2 0 361.490 0.927 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000682352431 493293421 /nfs/dbraw/zinc/29/34/21/493293421.db2.gz MCKMOPNTLRZZHY-AWEZNQCLSA-N 2 0 350.467 0.372 20 0 FCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673147337 493295865 /nfs/dbraw/zinc/29/58/65/493295865.db2.gz ZAUAAOCDPOOOEI-ZBFHGGJFSA-N 2 0 362.478 0.468 20 0 FCADRP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000673470511 493332228 /nfs/dbraw/zinc/33/22/28/493332228.db2.gz OSZWOOFFTBREIC-HOTGVXAUSA-N 2 0 356.511 0.258 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000673872862 493369947 /nfs/dbraw/zinc/36/99/47/493369947.db2.gz OGQQCZFZDYVGGH-UHFFFAOYSA-N 2 0 363.462 0.425 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581693 493378276 /nfs/dbraw/zinc/37/82/76/493378276.db2.gz JNGRDNCYOGVQAZ-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCSC1 ZINC000673982347 493379654 /nfs/dbraw/zinc/37/96/54/493379654.db2.gz LKKCIROKZZOBHF-INMHGKMJSA-N 2 0 356.536 0.664 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201583 493401160 /nfs/dbraw/zinc/40/11/60/493401160.db2.gz XFFKRFXJUCRFAX-MSOLQXFVSA-N 2 0 362.522 0.652 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201595 493401374 /nfs/dbraw/zinc/40/13/74/493401374.db2.gz XFFKRFXJUCRFAX-ROUUACIJSA-N 2 0 362.522 0.652 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000674329486 493409041 /nfs/dbraw/zinc/40/90/41/493409041.db2.gz CORVLUXGHBYTJL-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668826704 493416269 /nfs/dbraw/zinc/41/62/69/493416269.db2.gz JMGSGKUBQWTGHG-GOSISDBHSA-N 2 0 362.518 0.825 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668826705 493416389 /nfs/dbraw/zinc/41/63/89/493416389.db2.gz JMGSGKUBQWTGHG-SFHVURJKSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661598085 493449911 /nfs/dbraw/zinc/44/99/11/493449911.db2.gz ODGPNRUCBLKULX-ZBRFXRBCSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000685310746 493474460 /nfs/dbraw/zinc/47/44/60/493474460.db2.gz IETOVUPLGULMDG-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000661981118 493480377 /nfs/dbraw/zinc/48/03/77/493480377.db2.gz NEELOABAZYXNIM-GOSISDBHSA-N 2 0 366.506 0.746 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000662159319 493494010 /nfs/dbraw/zinc/49/40/10/493494010.db2.gz XUTKLIUFOXLYJV-GOSISDBHSA-N 2 0 352.523 0.506 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498068 /nfs/dbraw/zinc/49/80/68/493498068.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 2 0 372.598 0.783 20 0 FCADRP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222555 493498736 /nfs/dbraw/zinc/49/87/36/493498736.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 2 0 372.598 0.783 20 0 FCADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)NCCCN1CCCC1=O ZINC000662291627 493503636 /nfs/dbraw/zinc/50/36/36/493503636.db2.gz VWTIZFGPMVEOQZ-QGZVFWFLSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291427 493503720 /nfs/dbraw/zinc/50/37/20/493503720.db2.gz RZEYRBZDBJODAE-RHSMWYFYSA-N 2 0 350.507 0.810 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662291178 493503965 /nfs/dbraw/zinc/50/39/65/493503965.db2.gz CQHZLFIRTWVDNW-QZTJIDSGSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000662293784 493504814 /nfs/dbraw/zinc/50/48/14/493504814.db2.gz NTRJFFURCJLABW-SFHVURJKSA-N 2 0 372.517 0.837 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486529 493506456 /nfs/dbraw/zinc/50/64/56/493506456.db2.gz UPPGBQXJAQURET-BBWFWOEESA-N 2 0 353.511 0.304 20 0 FCADRP C[C@]1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486470 493506553 /nfs/dbraw/zinc/50/65/53/493506553.db2.gz NETGBMNTFOXNJM-AEFFLSMTSA-N 2 0 353.511 0.082 20 0 FCADRP Cn1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1=O ZINC000662337953 493507446 /nfs/dbraw/zinc/50/74/46/493507446.db2.gz OECTWSJQTWMPEP-MRXNPFEDSA-N 2 0 356.474 0.898 20 0 FCADRP C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH+](C)CC1 ZINC000669490650 493507700 /nfs/dbraw/zinc/50/77/00/493507700.db2.gz RQTJWBHAICJXRL-RDJZCZTQSA-N 2 0 365.522 0.570 20 0 FCADRP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338935 493507696 /nfs/dbraw/zinc/50/76/96/493507696.db2.gz XGGWODVPUGBGJV-CQSZACIVSA-N 2 0 360.462 0.148 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669585434 493512696 /nfs/dbraw/zinc/51/26/96/493512696.db2.gz ILTYYJRSIGQFCU-IRXDYDNUSA-N 2 0 365.522 0.714 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1cccc(F)c1 ZINC000662575361 493526595 /nfs/dbraw/zinc/52/65/95/493526595.db2.gz OGDYYSIUYFUIHD-JKSUJKDBSA-N 2 0 358.421 0.909 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638715 493529522 /nfs/dbraw/zinc/52/95/22/493529522.db2.gz VLDQDXYQQNYWFK-KRWDZBQOSA-N 2 0 359.474 0.278 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662682560 493531676 /nfs/dbraw/zinc/53/16/76/493531676.db2.gz JOEGLNKIIYCGIA-IAGOWNOFSA-N 2 0 360.458 0.686 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662702680 493533338 /nfs/dbraw/zinc/53/33/38/493533338.db2.gz CFILEUARAWSDLD-ROUUACIJSA-N 2 0 374.485 0.729 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)nn1 ZINC000662707847 493533596 /nfs/dbraw/zinc/53/35/96/493533596.db2.gz MZJVIFNCYXNDBL-UHFFFAOYSA-N 2 0 358.446 0.693 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721069 493534937 /nfs/dbraw/zinc/53/49/37/493534937.db2.gz PUAZULUPNFUFMI-RTBURBONSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662748085 493537139 /nfs/dbraw/zinc/53/71/39/493537139.db2.gz LDDIZTNGKRQNJC-INIZCTEOSA-N 2 0 363.510 0.349 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000662754489 493538524 /nfs/dbraw/zinc/53/85/24/493538524.db2.gz PGNVDKGZPIUPNU-MRXNPFEDSA-N 2 0 355.446 0.950 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662758778 493539934 /nfs/dbraw/zinc/53/99/34/493539934.db2.gz TUJDNNADCIZWAU-MOPGFXCFSA-N 2 0 360.502 0.674 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758119 493540030 /nfs/dbraw/zinc/54/00/30/493540030.db2.gz OMCKZYOJIZHXEI-CYBMUJFWSA-N 2 0 350.438 0.479 20 0 FCADRP CC(C)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)n1ccc(N)n1 ZINC000662758178 493540144 /nfs/dbraw/zinc/54/01/44/493540144.db2.gz PYFWKSJJIHZILK-UHFFFAOYSA-N 2 0 371.489 0.924 20 0 FCADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000676308477 493544319 /nfs/dbraw/zinc/54/43/19/493544319.db2.gz XDPHRZILQARDTM-IAGOWNOFSA-N 2 0 357.543 0.621 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836936 493545992 /nfs/dbraw/zinc/54/59/92/493545992.db2.gz IPYVIZVOSMFXAH-KBPBESRZSA-N 2 0 362.478 0.459 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000662867712 493548186 /nfs/dbraw/zinc/54/81/86/493548186.db2.gz LLENBIFMDJREHU-XIRDDKMYSA-N 2 0 370.457 0.697 20 0 FCADRP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899144 493550011 /nfs/dbraw/zinc/55/00/11/493550011.db2.gz BXDLGWOZWFSPSQ-HOCLYGCPSA-N 2 0 360.506 0.727 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000662953550 493560136 /nfs/dbraw/zinc/56/01/36/493560136.db2.gz KHAKSASESKBNSK-QZTJIDSGSA-N 2 0 358.486 0.569 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H](C[NH3+])C1 ZINC000662982143 493564156 /nfs/dbraw/zinc/56/41/56/493564156.db2.gz BFFWDPUZWXXATH-OIISXLGYSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+]1CCN(CCNc2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000663395762 493586839 /nfs/dbraw/zinc/58/68/39/493586839.db2.gz FGTNMMXJJOMDEC-UHFFFAOYSA-N 2 0 352.487 0.146 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000670671408 493587150 /nfs/dbraw/zinc/58/71/50/493587150.db2.gz CMAQKEFXALKZCB-DLBZAZTESA-N 2 0 368.522 0.448 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000670708631 493589500 /nfs/dbraw/zinc/58/95/00/493589500.db2.gz IGQISCBUSVPKJG-UHFFFAOYSA-N 2 0 367.538 0.075 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000663479686 493591215 /nfs/dbraw/zinc/59/12/15/493591215.db2.gz JTIYGVZADOMUOF-ZWKOTPCHSA-N 2 0 368.522 0.584 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670787340 493596999 /nfs/dbraw/zinc/59/69/99/493596999.db2.gz GAJYWONGXCKPKL-MRXNPFEDSA-N 2 0 355.442 0.594 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663613182 493603999 /nfs/dbraw/zinc/60/39/99/493603999.db2.gz CCXGLELWCDINNQ-IBGZPJMESA-N 2 0 359.474 0.241 20 0 FCADRP O=C1CCCN1[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738076 493614317 /nfs/dbraw/zinc/61/43/17/493614317.db2.gz BOPJTSRWCKDXRB-KVHJKKSTSA-N 2 0 360.502 0.936 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000670997128 493622185 /nfs/dbraw/zinc/62/21/85/493622185.db2.gz BYXRFYBOWWXKDV-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071264 493629113 /nfs/dbraw/zinc/62/91/13/493629113.db2.gz SLJYFOODRRUUFM-CPUCHLNUSA-N 2 0 354.520 0.283 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071267 493629280 /nfs/dbraw/zinc/62/92/80/493629280.db2.gz SLJYFOODRRUUFM-VBQJREDUSA-N 2 0 354.520 0.283 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000671071987 493630096 /nfs/dbraw/zinc/63/00/96/493630096.db2.gz YUWLRCCVWDGRRY-KRWDZBQOSA-N 2 0 356.536 0.388 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091659 493631997 /nfs/dbraw/zinc/63/19/97/493631997.db2.gz XMHMMFXAESDFOP-QGZVFWFLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103231 493634494 /nfs/dbraw/zinc/63/44/94/493634494.db2.gz ZWCIVXWHOIAZDQ-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000671105620 493634744 /nfs/dbraw/zinc/63/47/44/493634744.db2.gz SMTFOVNYNZWMGF-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C)CO1 ZINC000664473002 493661796 /nfs/dbraw/zinc/66/17/96/493661796.db2.gz JHCWUKGQGPBSFG-AHCXZYCDSA-N 2 0 368.522 0.773 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000671390474 493663501 /nfs/dbraw/zinc/66/35/01/493663501.db2.gz RJPJJHRYCQEJIC-RDJZCZTQSA-N 2 0 362.474 0.070 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664646983 493674829 /nfs/dbraw/zinc/67/48/29/493674829.db2.gz JUFULZTUJWSMIL-QGZVFWFLSA-N 2 0 356.511 0.897 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000671619171 493698372 /nfs/dbraw/zinc/69/83/72/493698372.db2.gz ZZUOSVRTAYCZIK-IRXDYDNUSA-N 2 0 354.495 0.338 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880932 493710594 /nfs/dbraw/zinc/71/05/94/493710594.db2.gz YFPKZIKIWZLHMX-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010238 493724176 /nfs/dbraw/zinc/72/41/76/493724176.db2.gz MPARPUBOLJUKLX-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672014049 493725030 /nfs/dbraw/zinc/72/50/30/493725030.db2.gz POQDHXKLAABIQG-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305725 493751631 /nfs/dbraw/zinc/75/16/31/493751631.db2.gz BEIPGDAEGIJPEU-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309458 493754004 /nfs/dbraw/zinc/75/40/04/493754004.db2.gz NOJRHVKMBJCFGA-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011216 674338279 /nfs/dbraw/zinc/33/82/79/674338279.db2.gz QGDVTLAJILEDCK-HOTGVXAUSA-N 2 0 354.495 0.155 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000419961513 536449014 /nfs/dbraw/zinc/44/90/14/536449014.db2.gz XHMUNXFIWPETNI-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000410779957 527802824 /nfs/dbraw/zinc/80/28/24/527802824.db2.gz NSHWABPZYDJZDD-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410503885 528122329 /nfs/dbraw/zinc/12/23/29/528122329.db2.gz PHRYBKBLMBWMOT-MRXNPFEDSA-N 2 0 356.511 0.356 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000174321761 528580297 /nfs/dbraw/zinc/58/02/97/528580297.db2.gz WFTWFGIMJIPWFT-GOSISDBHSA-N 2 0 354.539 0.876 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)C ZINC000410521940 528886810 /nfs/dbraw/zinc/88/68/10/528886810.db2.gz CTJVIDVAIPDNOQ-INIZCTEOSA-N 2 0 356.511 0.353 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)C(C)C ZINC000410521941 528887425 /nfs/dbraw/zinc/88/74/25/528887425.db2.gz CTJVIDVAIPDNOQ-MRXNPFEDSA-N 2 0 356.511 0.353 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262084436 529036265 /nfs/dbraw/zinc/03/62/65/529036265.db2.gz TZTPHUHYOFBMPX-ZBFHGGJFSA-N 2 0 352.866 0.912 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419535959 536542426 /nfs/dbraw/zinc/54/24/26/536542426.db2.gz LPOUXRYFELLUJB-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000423416244 535056705 /nfs/dbraw/zinc/05/67/05/535056705.db2.gz QEMLDEXBTRMVSZ-QGZVFWFLSA-N 2 0 367.538 0.070 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419198958 535069743 /nfs/dbraw/zinc/06/97/43/535069743.db2.gz DCLZQIUJGMEIJY-MRXNPFEDSA-N 2 0 350.463 0.343 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419697108 535071952 /nfs/dbraw/zinc/07/19/52/535071952.db2.gz NUJZRLJMBYUHFS-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419153718 535081734 /nfs/dbraw/zinc/08/17/34/535081734.db2.gz PGAVKNGOWKPWHR-QGZVFWFLSA-N 2 0 350.507 0.897 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419385493 535085165 /nfs/dbraw/zinc/08/51/65/535085165.db2.gz CKCNUCZOXDGVGB-KRWDZBQOSA-N 2 0 358.486 0.793 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419908853 535159426 /nfs/dbraw/zinc/15/94/26/535159426.db2.gz JYRZSZYIAIYNIC-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419180211 535281346 /nfs/dbraw/zinc/28/13/46/535281346.db2.gz AEEJZSZTHBJSEH-UHFFFAOYSA-N 2 0 358.486 0.967 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000419951002 535304577 /nfs/dbraw/zinc/30/45/77/535304577.db2.gz IXJDNIHNSHWCFI-OAHLLOKOSA-N 2 0 356.511 0.435 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419958707 535305726 /nfs/dbraw/zinc/30/57/26/535305726.db2.gz QDWGRLDMHMDIHY-JKSUJKDBSA-N 2 0 354.495 0.047 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000419197149 535438319 /nfs/dbraw/zinc/43/83/19/535438319.db2.gz XRNOGCWVKJZBLL-GOSISDBHSA-N 2 0 373.501 0.763 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423528607 535542984 /nfs/dbraw/zinc/54/29/84/535542984.db2.gz UEOJXZFMPNDFJL-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423519885 535543091 /nfs/dbraw/zinc/54/30/91/535543091.db2.gz JOVHJLGLGXLRPV-CVEARBPZSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415989862 535670607 /nfs/dbraw/zinc/67/06/07/535670607.db2.gz BPRVCEIWISQGLG-GFCCVEGCSA-N 2 0 353.433 0.981 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375853 535716173 /nfs/dbraw/zinc/71/61/73/535716173.db2.gz FDPOTWDFRUNNOV-PDOICOKGSA-N 2 0 366.550 0.909 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000419664231 535839382 /nfs/dbraw/zinc/83/93/82/535839382.db2.gz RIEMCZFSALUJGJ-UHFFFAOYSA-N 2 0 362.474 0.631 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000419654448 535839414 /nfs/dbraw/zinc/83/94/14/535839414.db2.gz GKHFEQMUGXDVNA-UHFFFAOYSA-N 2 0 350.463 0.487 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419653156 535839571 /nfs/dbraw/zinc/83/95/71/535839571.db2.gz FKMDSKXFHOYSIT-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420198974 535866086 /nfs/dbraw/zinc/86/60/86/535866086.db2.gz CSGQMSXAJSGWSI-BZUAXINKSA-N 2 0 362.474 0.674 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799710 535880133 /nfs/dbraw/zinc/88/01/33/535880133.db2.gz CSUSQXLUERIBJR-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419716676 535927420 /nfs/dbraw/zinc/92/74/20/535927420.db2.gz YVQUVMOQTJNUJN-MSOLQXFVSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+](C)C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775937 535940693 /nfs/dbraw/zinc/94/06/93/535940693.db2.gz PVGBYDQWYMNESS-HUUCEWRRSA-N 2 0 352.866 0.927 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000419200426 535945855 /nfs/dbraw/zinc/94/58/55/535945855.db2.gz FGWZTQLZHVJGKV-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419412788 536099928 /nfs/dbraw/zinc/09/99/28/536099928.db2.gz RJBSAIXIPBWSSN-QZTJIDSGSA-N 2 0 358.486 0.889 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000419402309 536123799 /nfs/dbraw/zinc/12/37/99/536123799.db2.gz CFSTZJIKNUDJGF-CJNGLKHVSA-N 2 0 350.438 0.660 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000418288489 536363563 /nfs/dbraw/zinc/36/35/63/536363563.db2.gz IGWXEIREEAJYSX-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419673233 536368450 /nfs/dbraw/zinc/36/84/50/536368450.db2.gz CCNYJQCLRLSRFX-CQSZACIVSA-N 2 0 354.520 0.285 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419136511 536416569 /nfs/dbraw/zinc/41/65/69/536416569.db2.gz PGTSGUOIWPXCBN-HNNXBMFYSA-N 2 0 364.515 0.897 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419771517 536481833 /nfs/dbraw/zinc/48/18/33/536481833.db2.gz XSOHOMBHNVKKCX-MSOLQXFVSA-N 2 0 358.486 0.867 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419449749 536495787 /nfs/dbraw/zinc/49/57/87/536495787.db2.gz KIYYAUULIYASDV-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419749456 536747306 /nfs/dbraw/zinc/74/73/06/536747306.db2.gz GVWAHVQKDRQJBR-AWEZNQCLSA-N 2 0 354.495 0.332 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417547218 536751231 /nfs/dbraw/zinc/75/12/31/536751231.db2.gz NXONENPDYJGCER-UHFFFAOYSA-N 2 0 355.527 0.470 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000419896853 537114042 /nfs/dbraw/zinc/11/40/42/537114042.db2.gz NUDNUEWXGNHGFS-KGLIPLIRSA-N 2 0 361.446 0.125 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000419896857 537114076 /nfs/dbraw/zinc/11/40/76/537114076.db2.gz NUDNUEWXGNHGFS-ZIAGYGMSSA-N 2 0 361.446 0.125 20 0 FCADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592428465 546648256 /nfs/dbraw/zinc/64/82/56/546648256.db2.gz PZRRLPDJLKQTHX-UHFFFAOYSA-N 2 0 351.495 0.789 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000550133420 547078914 /nfs/dbraw/zinc/07/89/14/547078914.db2.gz OCRDWAHYQMEWGX-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC000550843529 547111542 /nfs/dbraw/zinc/11/15/42/547111542.db2.gz TUVYSOVACURGEA-GOSISDBHSA-N 2 0 370.563 0.919 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000551039114 547121525 /nfs/dbraw/zinc/12/15/25/547121525.db2.gz LGFNEVCVPRSGIF-KRWDZBQOSA-N 2 0 357.568 0.749 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551213174 547134000 /nfs/dbraw/zinc/13/40/00/547134000.db2.gz IYERLSGOPCJCOM-IIDMSEBBSA-N 2 0 370.563 0.777 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCSC1 ZINC000551217341 547135396 /nfs/dbraw/zinc/13/53/96/547135396.db2.gz MLSCMBATODCUIP-QGZVFWFLSA-N 2 0 356.536 0.388 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000551217934 547135549 /nfs/dbraw/zinc/13/55/49/547135549.db2.gz YOTFEURCWNORAO-KRWDZBQOSA-N 2 0 354.520 0.283 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216693 547135702 /nfs/dbraw/zinc/13/57/02/547135702.db2.gz ABTLKDJSVHEUOO-KSSFIOAISA-N 2 0 368.547 0.673 20 0 FCADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553164349 547257066 /nfs/dbraw/zinc/25/70/66/547257066.db2.gz NJHDJUVPPRMJKE-ULQDDVLXSA-N 2 0 350.507 0.726 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734449 547303813 /nfs/dbraw/zinc/30/38/13/547303813.db2.gz ZHRRKPNZFCOPCD-LSDHHAIUSA-N 2 0 356.511 0.306 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000474346095 547332593 /nfs/dbraw/zinc/33/25/93/547332593.db2.gz PIEUZHGJURIPQF-UHFFFAOYSA-N 2 0 351.495 0.490 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000736766902 598332678 /nfs/dbraw/zinc/33/26/78/598332678.db2.gz INSKFYSPGSYHDH-INIZCTEOSA-N 2 0 357.462 0.709 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000953976957 674487439 /nfs/dbraw/zinc/48/74/39/674487439.db2.gz DYVJPARMACMWLA-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954273694 674493515 /nfs/dbraw/zinc/49/35/15/674493515.db2.gz FGJKYZUPLWGNLQ-DJIMGWMZSA-N 2 0 350.507 0.869 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000954412132 674496765 /nfs/dbraw/zinc/49/67/65/674496765.db2.gz CDAYAGRATGXOEO-DLBZAZTESA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000954415810 674497092 /nfs/dbraw/zinc/49/70/92/674497092.db2.gz FJAPCQQCNCBBBC-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954502831 674498464 /nfs/dbraw/zinc/49/84/64/674498464.db2.gz SHUBJONEHUTCJH-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC000957499333 674544697 /nfs/dbraw/zinc/54/46/97/674544697.db2.gz JJHIHHFPHFFGHC-BZUAXINKSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000957592518 674546802 /nfs/dbraw/zinc/54/68/02/674546802.db2.gz JBXFATXNNVPDKC-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000989180651 665715231 /nfs/dbraw/zinc/71/52/31/665715231.db2.gz PXLXTQBFVRLKSQ-MWDXBVQZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000990004618 665837551 /nfs/dbraw/zinc/83/75/51/665837551.db2.gz GPSDLMHBDZGJEX-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000725715751 663351612 /nfs/dbraw/zinc/35/16/12/663351612.db2.gz YRXMWOIXDYJFSA-QZTJIDSGSA-N 2 0 352.523 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@@H+]1C ZINC001022101963 663404405 /nfs/dbraw/zinc/40/44/05/663404405.db2.gz AOQNOPXZYGSMFN-IBEHDNSVSA-N 2 0 350.507 0.963 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001022103074 663405186 /nfs/dbraw/zinc/40/51/86/663405186.db2.gz DSDAVPWECCQSSA-DMRKSPOLSA-N 2 0 350.507 0.964 20 0 FCADRP CC1(C)CN(CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCO1 ZINC000891472641 663408245 /nfs/dbraw/zinc/40/82/45/663408245.db2.gz OFBMQNPMDPATIN-NEPJUHHUSA-N 2 0 352.401 0.876 20 0 FCADRP CC1(C)CN(CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCO1 ZINC000891472642 663408290 /nfs/dbraw/zinc/40/82/90/663408290.db2.gz OFBMQNPMDPATIN-NWDGAFQWSA-N 2 0 352.401 0.876 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526611 663412032 /nfs/dbraw/zinc/41/20/32/663412032.db2.gz COATYSNNDQFSJL-CVEARBPZSA-N 2 0 353.511 0.080 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891536211 663413084 /nfs/dbraw/zinc/41/30/84/663413084.db2.gz PVRGSFSDUKVNLF-HZPDHXFCSA-N 2 0 351.495 0.465 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891579967 663416904 /nfs/dbraw/zinc/41/69/04/663416904.db2.gz QIPVBOLLZGCQTM-UONOGXRCSA-N 2 0 365.444 0.793 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000891653794 663423260 /nfs/dbraw/zinc/42/32/60/663423260.db2.gz HBGPBXCUHNEEPK-DZGCQCFKSA-N 2 0 353.511 0.744 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891906978 663448257 /nfs/dbraw/zinc/44/82/57/663448257.db2.gz WJWJLYVVBOKFPM-XQLPTFJDSA-N 2 0 353.467 0.292 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000891988883 663464078 /nfs/dbraw/zinc/46/40/78/663464078.db2.gz WZIZIMXKNDRUSX-UHFFFAOYSA-N 2 0 353.511 0.890 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892038275 663469428 /nfs/dbraw/zinc/46/94/28/663469428.db2.gz CCSXDHAHTSBZGR-MRXNPFEDSA-N 2 0 355.527 0.600 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000892081828 663473929 /nfs/dbraw/zinc/47/39/29/663473929.db2.gz FJJFXCKVLGTNKL-DLBZAZTESA-N 2 0 353.511 0.224 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892080515 663474020 /nfs/dbraw/zinc/47/40/20/663474020.db2.gz ZDUHKPPYNSOWOK-IKGGRYGDSA-N 2 0 353.511 0.080 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892092036 663475287 /nfs/dbraw/zinc/47/52/87/663475287.db2.gz OEHDSNIETWKDLM-IXDOHACOSA-N 2 0 353.511 0.080 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097359 663475772 /nfs/dbraw/zinc/47/57/72/663475772.db2.gz NHHKEEWWONNZPZ-IXDOHACOSA-N 2 0 353.511 0.223 20 0 FCADRP C[N@@H+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000892108993 663477435 /nfs/dbraw/zinc/47/74/35/663477435.db2.gz XWHGKWFPMBNIPQ-LBPRGKRZSA-N 2 0 351.417 0.558 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109878 663477682 /nfs/dbraw/zinc/47/76/82/663477682.db2.gz XYZJBQOXWSCTSV-QWHCGFSZSA-N 2 0 351.417 0.735 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000892263203 663508127 /nfs/dbraw/zinc/50/81/27/663508127.db2.gz LOSJNUSSMVPDFB-YJBOKZPZSA-N 2 0 351.495 0.561 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000892263212 663508149 /nfs/dbraw/zinc/50/81/49/663508149.db2.gz LVLGLPUPRCVRDI-HOTGVXAUSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001023377920 663620275 /nfs/dbraw/zinc/62/02/75/663620275.db2.gz XUIOAYZFNFLHMR-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)N1CC[NH2+]CC1 ZINC000904355243 665987562 /nfs/dbraw/zinc/98/75/62/665987562.db2.gz LUPAWELCZBJQFB-CQSZACIVSA-N 3 0 361.412 0.615 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC000972663889 663802729 /nfs/dbraw/zinc/80/27/29/663802729.db2.gz CUOOCADGJKTCAV-VQHPVUNQSA-N 2 0 352.523 0.972 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21)[NH+](C)C ZINC000972664713 663803212 /nfs/dbraw/zinc/80/32/12/663803212.db2.gz KNYLTDHUGWJSJU-VQHPVUNQSA-N 2 0 350.507 0.726 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC000972967101 664025779 /nfs/dbraw/zinc/02/57/79/664025779.db2.gz QHUFKIOWOSDLLQ-QBPKDAKJSA-N 2 0 352.523 0.972 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973332115 664099856 /nfs/dbraw/zinc/09/98/56/664099856.db2.gz HHPFZKCFXJUPGY-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892865138 664150631 /nfs/dbraw/zinc/15/06/31/664150631.db2.gz GDSHLDNIVLUNES-RHSMWYFYSA-N 2 0 367.515 0.891 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000892884850 664153076 /nfs/dbraw/zinc/15/30/76/664153076.db2.gz OXNLNZFTSYSACH-UHFFFAOYSA-N 2 0 356.511 0.632 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)C[C@]2(C)C1 ZINC000892930356 664155733 /nfs/dbraw/zinc/15/57/33/664155733.db2.gz UKMIHGKXXVLYOK-PBHICJAKSA-N 2 0 372.535 0.089 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053348 664202064 /nfs/dbraw/zinc/20/20/64/664202064.db2.gz MJHHSDPIMHQWGX-DLBZAZTESA-N 2 0 353.511 0.034 20 0 FCADRP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893053680 664202113 /nfs/dbraw/zinc/20/21/13/664202113.db2.gz PSEYFJYWCGFEHY-KRWDZBQOSA-N 2 0 355.527 0.470 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053354 664202127 /nfs/dbraw/zinc/20/21/27/664202127.db2.gz MJHHSDPIMHQWGX-SJORKVTESA-N 2 0 353.511 0.034 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000893237179 664218065 /nfs/dbraw/zinc/21/80/65/664218065.db2.gz FORCHFFBSGGWRW-ZIFCJYIRSA-N 2 0 351.539 0.853 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974125204 664223762 /nfs/dbraw/zinc/22/37/62/664223762.db2.gz CPLWEYHJMTZEPW-UUAJXVIYSA-N 2 0 350.507 0.963 20 0 FCADRP CN1CCC(CNC(=O)N[C@@]2(C)CCNC2=O)([NH+]2CCCCC2)CC1 ZINC000893268195 664224697 /nfs/dbraw/zinc/22/46/97/664224697.db2.gz SKRCESPVFNQKSK-KRWDZBQOSA-N 2 0 351.495 0.515 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001026514579 664239491 /nfs/dbraw/zinc/23/94/91/664239491.db2.gz JSSAAZRQAVVYJS-UWLZSVRSSA-N 2 0 350.467 0.051 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027417489 664399271 /nfs/dbraw/zinc/39/92/71/664399271.db2.gz ZUNZMMFKTMHWKU-BZUAXINKSA-N 2 0 351.495 0.275 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000977813546 664424295 /nfs/dbraw/zinc/42/42/95/664424295.db2.gz FBZOCJWQLWGZRN-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC000981194757 664817312 /nfs/dbraw/zinc/81/73/12/664817312.db2.gz VWYQJYPXAACLHX-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981686517 664835987 /nfs/dbraw/zinc/83/59/87/664835987.db2.gz NGCQEUSZVFNKOL-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925823342 664843997 /nfs/dbraw/zinc/84/39/97/664843997.db2.gz QZHAAMCMOCOQCJ-IXDOHACOSA-N 2 0 359.536 0.937 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894163739 664902060 /nfs/dbraw/zinc/90/20/60/664902060.db2.gz GQGNDYMXDOYLGB-SJORKVTESA-N 2 0 356.511 0.585 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001028552959 664902307 /nfs/dbraw/zinc/90/23/07/664902307.db2.gz WTBCJUSYPSMOKS-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001029313832 665014013 /nfs/dbraw/zinc/01/40/13/665014013.db2.gz OJIGLHIWQMUDIG-OVYGPGRDSA-N 2 0 369.531 0.437 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727084474 665024347 /nfs/dbraw/zinc/02/43/47/665024347.db2.gz DTLWNSSRYGBZIP-OAHLLOKOSA-N 2 0 371.595 0.981 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896300632 665080092 /nfs/dbraw/zinc/08/00/92/665080092.db2.gz ITYAIVCLEGUHIA-KRWDZBQOSA-N 2 0 351.491 0.858 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984692298 665090494 /nfs/dbraw/zinc/09/04/94/665090494.db2.gz ORMUGSQSEKYSRN-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896540961 665092476 /nfs/dbraw/zinc/09/24/76/665092476.db2.gz HDRRZFQFTPRXQD-BHYGNILZSA-N 2 0 354.564 0.954 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896540970 665092616 /nfs/dbraw/zinc/09/26/16/665092616.db2.gz HDRRZFQFTPRXQD-XIRDDKMYSA-N 2 0 354.564 0.954 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000984900143 665114637 /nfs/dbraw/zinc/11/46/37/665114637.db2.gz XBLGLFZRONWIJM-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)[NH+](C)C ZINC000986130844 665203270 /nfs/dbraw/zinc/20/32/70/665203270.db2.gz NQTTYTFFODHQNF-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000988010158 665271949 /nfs/dbraw/zinc/27/19/49/665271949.db2.gz HFMNNLWLENKERM-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988099734 665275506 /nfs/dbraw/zinc/27/55/06/665275506.db2.gz WUDVIMNZWCGDAZ-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000988103966 665276298 /nfs/dbraw/zinc/27/62/98/665276298.db2.gz FSRXCTHOVQMJGU-YVSFHVDLSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000988106469 665276623 /nfs/dbraw/zinc/27/66/23/665276623.db2.gz FBNYVOIZKYMGNM-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000897441294 665288320 /nfs/dbraw/zinc/28/83/20/665288320.db2.gz BTERQSSTAPMCEO-SQNIBIBYSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000897443586 665288564 /nfs/dbraw/zinc/28/85/64/665288564.db2.gz XSIPOLXEGWSASG-CVEARBPZSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000897480388 665292290 /nfs/dbraw/zinc/29/22/90/665292290.db2.gz YQXNDYVOBCKARN-INIZCTEOSA-N 2 0 351.495 0.420 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000938040636 665313438 /nfs/dbraw/zinc/31/34/38/665313438.db2.gz SSFVTODCOVKLEH-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988838580 665319979 /nfs/dbraw/zinc/31/99/79/665319979.db2.gz LIFCCQJFFOEONK-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000907589663 666145638 /nfs/dbraw/zinc/14/56/38/666145638.db2.gz UXRRSDWMJKWJKG-KRWDZBQOSA-N 2 0 354.539 0.706 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1 ZINC000908120377 666186943 /nfs/dbraw/zinc/18/69/43/666186943.db2.gz UKRQVTFQWORZAZ-GOSISDBHSA-N 2 0 354.539 0.756 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908204022 666194473 /nfs/dbraw/zinc/19/44/73/666194473.db2.gz UDOWBSXPVYABTG-HIEASXQVSA-N 2 0 351.491 0.545 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@H]1c1cccs1 ZINC000911201462 666323008 /nfs/dbraw/zinc/32/30/08/666323008.db2.gz RJSMRVANMHYYQO-OCCSQVGLSA-N 2 0 350.488 0.855 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@H]1c1cccs1 ZINC000911201459 666323047 /nfs/dbraw/zinc/32/30/47/666323047.db2.gz RJSMRVANMHYYQO-JSGCOSHPSA-N 2 0 350.488 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000991854475 666592559 /nfs/dbraw/zinc/59/25/59/666592559.db2.gz VXZUAXKPGQBXIB-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+]1CCCC1 ZINC000992308572 666632943 /nfs/dbraw/zinc/63/29/43/666632943.db2.gz DGTDRPOQQPMYBV-OIISXLGYSA-N 2 0 350.507 0.774 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287388 666905353 /nfs/dbraw/zinc/90/53/53/666905353.db2.gz ZOCKHBWULAXGIC-ZBFHGGJFSA-N 2 0 352.479 0.750 20 0 FCADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000996579920 666939088 /nfs/dbraw/zinc/93/90/88/666939088.db2.gz DDCIOWSYFDKURO-OLMNPRSZSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996606468 666943326 /nfs/dbraw/zinc/94/33/26/666943326.db2.gz IWAZIMCTBDNVPJ-IJEWVQPXSA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC000996608520 666944630 /nfs/dbraw/zinc/94/46/30/666944630.db2.gz SREMQEUNDHSQOF-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000993928392 666947794 /nfs/dbraw/zinc/94/77/94/666947794.db2.gz FPMCLDLKBWWKRC-HLLBOEOZSA-N 2 0 350.507 0.632 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000734274700 666958666 /nfs/dbraw/zinc/95/86/66/666958666.db2.gz LIYDVCQENMZMIR-WBVHZDCISA-N 2 0 354.495 0.602 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734269297 666959866 /nfs/dbraw/zinc/95/98/66/666959866.db2.gz CKALOQHYGCVWLI-QGZVFWFLSA-N 2 0 356.511 0.897 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217643 666979384 /nfs/dbraw/zinc/97/93/84/666979384.db2.gz QBYJEKJEJPLPJI-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000997101998 667088406 /nfs/dbraw/zinc/08/84/06/667088406.db2.gz UIZPWMKIZNRFAX-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000998798144 667221625 /nfs/dbraw/zinc/22/16/25/667221625.db2.gz ZBNOZGVFBGGYFH-RDHHWEPZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001002249388 667527326 /nfs/dbraw/zinc/52/73/26/667527326.db2.gz ZFFTYOQYVYVOSA-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000961849449 674831334 /nfs/dbraw/zinc/83/13/34/674831334.db2.gz MFYGOJMGFAGCBV-LHUBUQBQSA-N 2 0 371.547 0.636 20 0 FCADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2)[NH+](C)C ZINC001004952595 667719312 /nfs/dbraw/zinc/71/93/12/667719312.db2.gz LZTMZPKDBLIVEZ-UUAJXVIYSA-N 2 0 350.507 0.915 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001005414766 667740594 /nfs/dbraw/zinc/74/05/94/667740594.db2.gz HPJNWQZZRAYRRB-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001034217809 667749613 /nfs/dbraw/zinc/74/96/13/667749613.db2.gz VINUYZMUATURFZ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001034567976 667761252 /nfs/dbraw/zinc/76/12/52/667761252.db2.gz CEMYLITXEXIOTC-YESZJQIVSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@@H](C)C(N)=O)C3)CC2)CC[N@@H+]1C ZINC001035188295 667775549 /nfs/dbraw/zinc/77/55/49/667775549.db2.gz YRWVKUTWVYVGOQ-HRCADAONSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)Nc1cccc(I)c1 ZINC000923351753 667827222 /nfs/dbraw/zinc/82/72/22/667827222.db2.gz LUVIYAGCJPRJMY-QMMMGPOBSA-N 2 0 362.215 0.494 20 0 FCADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503802 667842754 /nfs/dbraw/zinc/84/27/54/667842754.db2.gz OUTWHJTUHFIVKV-CABCVRRESA-N 2 0 354.495 0.949 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006179191 667856230 /nfs/dbraw/zinc/85/62/30/667856230.db2.gz CIWMEMHDUMOAKW-JJRVBVJISA-N 2 0 350.507 0.632 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000739020053 667935274 /nfs/dbraw/zinc/93/52/74/667935274.db2.gz CFADZUQVDTXQIJ-DLBZAZTESA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000741089878 668011386 /nfs/dbraw/zinc/01/13/86/668011386.db2.gz VFXSKKBGZJQSLD-MRXNPFEDSA-N 2 0 354.495 0.386 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743392972 668047483 /nfs/dbraw/zinc/04/74/83/668047483.db2.gz FMTOHYFLWVCZHQ-HNNXBMFYSA-N 2 0 351.495 0.624 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000774788118 668173822 /nfs/dbraw/zinc/17/38/22/668173822.db2.gz HNZBUJYCGXXKEE-JKSUJKDBSA-N 2 0 354.495 0.201 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000774788111 668173869 /nfs/dbraw/zinc/17/38/69/668173869.db2.gz HNZBUJYCGXXKEE-HOTGVXAUSA-N 2 0 354.495 0.201 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=S)NCCCN1CCOCC1 ZINC000782405081 668560042 /nfs/dbraw/zinc/56/00/42/668560042.db2.gz JSAZKUQLBHNZQC-INIZCTEOSA-N 2 0 370.563 0.768 20 0 FCADRP CC(C)(O)C[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361070 668875280 /nfs/dbraw/zinc/87/52/80/668875280.db2.gz BNLODVQRMAKDOO-SFHVURJKSA-N 2 0 352.479 0.249 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCCCC1 ZINC000793728587 668946185 /nfs/dbraw/zinc/94/61/85/668946185.db2.gz VQZWLAIWJBTYDM-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCCCC1 ZINC000793728594 668946204 /nfs/dbraw/zinc/94/62/04/668946204.db2.gz VQZWLAIWJBTYDM-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=S)NCCC[NH+](C)C)C2 ZINC000795141713 669015400 /nfs/dbraw/zinc/01/54/00/669015400.db2.gz HWTOGRJPPSZZOF-GOOCMWNKSA-N 2 0 355.552 0.486 20 0 FCADRP CON(CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000824594397 669401577 /nfs/dbraw/zinc/40/15/77/669401577.db2.gz BPWZXLVBSDUIGA-HOTGVXAUSA-N 2 0 354.495 0.851 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483897 669703136 /nfs/dbraw/zinc/70/31/36/669703136.db2.gz FHIKXIGRCRQVHD-MSOLQXFVSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000830509974 669788981 /nfs/dbraw/zinc/78/89/81/669788981.db2.gz DXWDJBRUPWFWGN-INIZCTEOSA-N 2 0 354.495 0.202 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000841991348 670623927 /nfs/dbraw/zinc/62/39/27/670623927.db2.gz AZUGVBXAWUTXIP-ZDUSSCGKSA-N 2 0 363.428 0.608 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCCCC1 ZINC000842014885 670625827 /nfs/dbraw/zinc/62/58/27/670625827.db2.gz GCPPFDWSUAWABL-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000842088226 670632799 /nfs/dbraw/zinc/63/27/99/670632799.db2.gz LVFSZMJPNAHWGJ-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000842087812 670632810 /nfs/dbraw/zinc/63/28/10/670632810.db2.gz FHMCTQAMOPTGJE-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476651 670693078 /nfs/dbraw/zinc/69/30/78/670693078.db2.gz DIKWTJWZAYYBHU-HZPDHXFCSA-N 2 0 352.479 0.940 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000843262809 670790028 /nfs/dbraw/zinc/79/00/28/670790028.db2.gz UFHFAUNXUSWQIW-INIZCTEOSA-N 2 0 354.495 0.381 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000843267082 670790980 /nfs/dbraw/zinc/79/09/80/670790980.db2.gz UHKSPAVWKWIORZ-MRXNPFEDSA-N 2 0 354.495 0.193 20 0 FCADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378857 670810292 /nfs/dbraw/zinc/81/02/92/670810292.db2.gz JXYWCXMYIXXHNZ-INIZCTEOSA-N 2 0 351.451 0.333 20 0 FCADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000843400524 670813111 /nfs/dbraw/zinc/81/31/11/670813111.db2.gz GPKRZTPJZVRNRR-CQSZACIVSA-N 2 0 367.412 0.868 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182116 670906153 /nfs/dbraw/zinc/90/61/53/670906153.db2.gz DPGGYXGFNQVIBN-KRWDZBQOSA-N 2 0 350.463 0.689 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000846346474 671103698 /nfs/dbraw/zinc/10/36/98/671103698.db2.gz GQZIGWMHKRPCKL-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000849052374 671316413 /nfs/dbraw/zinc/31/64/13/671316413.db2.gz UZIVAKQEWKQVIY-ZNMIVQPWSA-N 2 0 359.540 0.693 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)CC)CC1 ZINC000849081760 671317217 /nfs/dbraw/zinc/31/72/17/671317217.db2.gz CAAOOILBDYZLRH-OAHLLOKOSA-N 2 0 359.540 0.646 20 0 FCADRP C[Si](C)(CC[NH+]1CCC(O)(CO)CC1)CC[NH+]1CCC(O)(CO)CC1 ZINC000859352367 671818823 /nfs/dbraw/zinc/81/88/23/671818823.db2.gz PQDJPGZHKSHRJD-UHFFFAOYSA-N 2 0 374.598 0.333 20 0 FCADRP O=C([C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713421 675962731 /nfs/dbraw/zinc/96/27/31/675962731.db2.gz PWVILTDKTBBZPF-DLBZAZTESA-N 3 0 350.507 0.289 20 0 FCADRP Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863550898 672136448 /nfs/dbraw/zinc/13/64/48/672136448.db2.gz DSTGHNTXECKAJI-OCCSQVGLSA-N 2 0 350.385 0.606 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\CN1CCOCC1 ZINC000865088937 672225243 /nfs/dbraw/zinc/22/52/43/672225243.db2.gz KLPGXEGWKSRHNJ-POZKEBTKSA-N 2 0 352.523 0.749 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1ccc(Br)cc1=O ZINC000865178576 672231111 /nfs/dbraw/zinc/23/11/11/672231111.db2.gz ZKFKSDQAGAUMKA-UHFFFAOYSA-N 2 0 373.295 0.563 20 0 FCADRP CC[C@H](F)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055614852 676027311 /nfs/dbraw/zinc/02/73/11/676027311.db2.gz KXMMMBVXNYMBMS-BMFZPTHFSA-N 2 0 356.486 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)COC)CC2)CC[N@@H+]1C ZINC001055583422 676025245 /nfs/dbraw/zinc/02/52/45/676025245.db2.gz MZQNDHQLVAQSIX-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP CSCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583471 676025376 /nfs/dbraw/zinc/02/53/76/676025376.db2.gz OZWSQRPUJQCBEY-UKRRQHHQSA-N 2 0 356.536 0.386 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055646993 676029457 /nfs/dbraw/zinc/02/94/57/676029457.db2.gz KWGXZROLCVZELR-PBHICJAKSA-N 2 0 354.495 0.060 20 0 FCADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141327 672594160 /nfs/dbraw/zinc/59/41/60/672594160.db2.gz FSVKCSYDMPVVMW-IRXDYDNUSA-N 2 0 351.491 0.716 20 0 FCADRP CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211765 672712198 /nfs/dbraw/zinc/71/21/98/672712198.db2.gz AVRHBOHIWHDWJZ-UHFFFAOYSA-N 2 0 350.488 0.564 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001418895 676071431 /nfs/dbraw/zinc/07/14/31/676071431.db2.gz PCDPRXIGIYAOIH-JKIFEVAISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000878980792 673091477 /nfs/dbraw/zinc/09/14/77/673091477.db2.gz FJGIRLFTDUORBA-FZDBZEDMSA-N 2 0 374.598 0.330 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000879248123 673106631 /nfs/dbraw/zinc/10/66/31/673106631.db2.gz IWJJGZZHLIGQEV-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC001051624241 676107000 /nfs/dbraw/zinc/10/70/00/676107000.db2.gz OCPMVRUSTPGAPT-AEGPPILISA-N 2 0 353.492 0.585 20 0 FCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883204583 673368930 /nfs/dbraw/zinc/36/89/30/673368930.db2.gz DOEQHOCKPCJOGI-HNNXBMFYSA-N 2 0 351.495 0.596 20 0 FCADRP COC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000883228787 673369265 /nfs/dbraw/zinc/36/92/65/673369265.db2.gz UPERFIFDGCHZIN-MSOLQXFVSA-N 2 0 355.523 0.814 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CCC23CCC3)C1 ZINC000883458823 673376723 /nfs/dbraw/zinc/37/67/23/673376723.db2.gz YCYLZPNZQPUKDI-QGZVFWFLSA-N 2 0 352.523 0.677 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884494085 673457149 /nfs/dbraw/zinc/45/71/49/673457149.db2.gz KARVIHKTFLGHKB-TXPKVOOTSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@H]1C[NH3+] ZINC000884508169 673458270 /nfs/dbraw/zinc/45/82/70/673458270.db2.gz WSNNONAHMUCOIV-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000884554307 673461580 /nfs/dbraw/zinc/46/15/80/673461580.db2.gz QPYWSFNEOPJDED-PJIJBLCYSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884555390 673461895 /nfs/dbraw/zinc/46/18/95/673461895.db2.gz QGVCNMASUYKZLB-DNIRFERGSA-N 2 0 362.396 0.181 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884577902 673463574 /nfs/dbraw/zinc/46/35/74/673463574.db2.gz OGHOASIVFYVTME-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884603292 673465060 /nfs/dbraw/zinc/46/50/60/673465060.db2.gz GMTHQPGFQFJVHP-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CCSC1 ZINC000884612295 673465920 /nfs/dbraw/zinc/46/59/20/673465920.db2.gz IZQLSDJAMINBIY-KRWDZBQOSA-N 2 0 354.520 0.285 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000884616672 673466243 /nfs/dbraw/zinc/46/62/43/673466243.db2.gz AEWBURPGHDKNTD-JFGNBEQYSA-N 2 0 350.385 0.181 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000884623511 673466928 /nfs/dbraw/zinc/46/69/28/673466928.db2.gz FWMPUSVELCETGH-DRZSPHRISA-N 2 0 362.396 0.349 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000884623797 673466967 /nfs/dbraw/zinc/46/69/67/673466967.db2.gz OWVSJAUHLUHSBV-IFXJQAMLSA-N 2 0 350.507 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCC1 ZINC000884633067 673468187 /nfs/dbraw/zinc/46/81/87/673468187.db2.gz QBWVBCLIFRVOIK-CYBMUJFWSA-N 2 0 360.449 0.586 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664147 673470689 /nfs/dbraw/zinc/47/06/89/673470689.db2.gz DTMWVWBOIIYRPX-QWHCGFSZSA-N 2 0 360.449 0.584 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)C ZINC000884669276 673470972 /nfs/dbraw/zinc/47/09/72/673470972.db2.gz QVSUWWRJLKGHRN-UHFFFAOYSA-N 2 0 367.519 0.722 20 0 FCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884720651 673476767 /nfs/dbraw/zinc/47/67/67/673476767.db2.gz RJBXKVKNTATXTA-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884728552 673478253 /nfs/dbraw/zinc/47/82/53/673478253.db2.gz ULDFGRBVUQNZEQ-IKWCTNDRSA-N 2 0 364.412 0.571 20 0 FCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000884820066 673484221 /nfs/dbraw/zinc/48/42/21/673484221.db2.gz LBJNMGJEOPOXRF-UHFFFAOYSA-N 2 0 354.495 0.335 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911488 673490569 /nfs/dbraw/zinc/49/05/69/673490569.db2.gz NXEZTHBHXHZRMO-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884954332 673493160 /nfs/dbraw/zinc/49/31/60/673493160.db2.gz CMLLYQBMVBXXBZ-CVEARBPZSA-N 2 0 369.535 0.967 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000884976654 673495208 /nfs/dbraw/zinc/49/52/08/673495208.db2.gz WMIOJERHWAOWRL-APWZRJJASA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884986069 673495892 /nfs/dbraw/zinc/49/58/92/673495892.db2.gz HPSAZUDVAGKDFC-VEAWUBTESA-N 2 0 360.449 0.727 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885010520 673497571 /nfs/dbraw/zinc/49/75/71/673497571.db2.gz QGTQQRQKPRXWNK-NXOAAHMSSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000885195979 673507808 /nfs/dbraw/zinc/50/78/08/673507808.db2.gz RNOQNHAJZNTXSQ-UHFFFAOYSA-N 2 0 354.495 0.237 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000885292284 673513041 /nfs/dbraw/zinc/51/30/41/673513041.db2.gz UPHNFLPVXQDQQV-KGLIPLIRSA-N 2 0 358.433 0.292 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000885889213 673553518 /nfs/dbraw/zinc/55/35/18/673553518.db2.gz YYJDDDBYSXTWGF-SFHVURJKSA-N 2 0 352.523 0.772 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[NH2+]C1 ZINC000887068081 673618493 /nfs/dbraw/zinc/61/84/93/673618493.db2.gz FJLWEBXTCBMWTE-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887079162 673620518 /nfs/dbraw/zinc/62/05/18/673620518.db2.gz LJUXPEDUSLNHSJ-VQIMIIECSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000889807961 673690243 /nfs/dbraw/zinc/69/02/43/673690243.db2.gz XETNEYWABWUMDC-BZUAXINKSA-N 2 0 374.551 0.335 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138270 673707156 /nfs/dbraw/zinc/70/71/56/673707156.db2.gz VOQYKQSPCABCJW-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924661630 673760888 /nfs/dbraw/zinc/76/08/88/673760888.db2.gz OXPGVJGVPQTVJP-MRXNPFEDSA-N 2 0 360.568 0.664 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444021 673792445 /nfs/dbraw/zinc/79/24/45/673792445.db2.gz AYMFCLGLOLATQL-HZPDHXFCSA-N 2 0 350.463 0.646 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)CC1 ZINC000926336751 673824389 /nfs/dbraw/zinc/82/43/89/673824389.db2.gz HNNWRFUCPYEKSG-AQFXKWCLSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926351905 673825874 /nfs/dbraw/zinc/82/58/74/673825874.db2.gz LHWGBSHVVMTZNW-CVEARBPZSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926355919 673826239 /nfs/dbraw/zinc/82/62/39/673826239.db2.gz BLEXOYGUJVMDBJ-OAHLLOKOSA-N 2 0 360.568 0.662 20 0 FCADRP CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000926444205 673831476 /nfs/dbraw/zinc/83/14/76/673831476.db2.gz QPRSAXNLEZUOGE-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC000927636189 673873055 /nfs/dbraw/zinc/87/30/55/673873055.db2.gz KQOVSFRWPADDHB-VYDXJSESSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC000968728087 675227022 /nfs/dbraw/zinc/22/70/22/675227022.db2.gz CTUZLPHRVYZFMG-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001011209118 675377013 /nfs/dbraw/zinc/37/70/13/675377013.db2.gz HJPQBDQIMUOCKE-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001011210753 675377274 /nfs/dbraw/zinc/37/72/74/675377274.db2.gz NVNIELJGPVUSTK-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001020302473 675440311 /nfs/dbraw/zinc/44/03/11/675440311.db2.gz TUBCNYVLDMYSKT-LUKYLMHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C)CC[NH+]1C ZINC001020346266 675441028 /nfs/dbraw/zinc/44/10/28/675441028.db2.gz QGWQWWGVJHVWFR-WTTBNOFXSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@@H+]1C ZINC001041302661 675512395 /nfs/dbraw/zinc/51/23/95/675512395.db2.gz XUNABHZUKXFRSW-FRQCXROJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001045043530 675649689 /nfs/dbraw/zinc/64/96/89/675649689.db2.gz HJDKWHYRFCSYBG-HYVNUMGLSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001045445152 675654094 /nfs/dbraw/zinc/65/40/94/675654094.db2.gz VRMSHVFCEACPDP-MGPQQGTHSA-N 2 0 350.463 0.103 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900694253 675708465 /nfs/dbraw/zinc/70/84/65/675708465.db2.gz BZYKSDLRNYHNRF-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384967 675795795 /nfs/dbraw/zinc/79/57/95/675795795.db2.gz QEKLIFFCRLJCMN-OJLVUWQFSA-N 2 0 352.504 0.529 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000988537243 1192266360 /nfs/dbraw/zinc/26/63/60/1192266360.db2.gz XSENVTBDUKQODP-KBAYOESNSA-N 2 0 364.534 0.975 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481983 1168565153 /nfs/dbraw/zinc/56/51/53/1168565153.db2.gz ZSLUUKRCYJSSRK-OOOMTDJDSA-N 2 0 363.502 0.714 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104256785 1168815879 /nfs/dbraw/zinc/81/58/79/1168815879.db2.gz QBYJIHFFCFTLLE-BRWVUGGUSA-N 2 0 370.513 0.973 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001021242126 1168859349 /nfs/dbraw/zinc/85/93/49/1168859349.db2.gz SVQBRDVXLIILAO-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP Cn1ccnc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112486548 1169097218 /nfs/dbraw/zinc/09/72/18/1169097218.db2.gz YTLHGMXFVCGSGM-LPHOPBHVSA-N 2 0 364.490 0.580 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)c1nnnn1C ZINC001104287837 1169160578 /nfs/dbraw/zinc/16/05/78/1169160578.db2.gz MGYALVIRBZEZKP-RBSFLKMASA-N 2 0 363.510 0.830 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104291310 1169652059 /nfs/dbraw/zinc/65/20/59/1169652059.db2.gz LPXUNNBZZZHIPC-BJZITVGISA-N 2 0 364.534 0.927 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001021708853 1169907453 /nfs/dbraw/zinc/90/74/53/1169907453.db2.gz KBWQGNITYQRMLK-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001021711764 1169914357 /nfs/dbraw/zinc/91/43/57/1169914357.db2.gz CHYAWJDQUIHIFF-IXDOHACOSA-N 2 0 359.474 0.593 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104362621 1170487760 /nfs/dbraw/zinc/48/77/60/1170487760.db2.gz AFYVGECFKSKFTM-KFWWJZLASA-N 2 0 366.506 0.596 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569255 1170544630 /nfs/dbraw/zinc/54/46/30/1170544630.db2.gz AJSRHSPDISBNIO-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087166906 1170747570 /nfs/dbraw/zinc/74/75/70/1170747570.db2.gz JHIZQXBQBXZKGI-UWWQBHOKSA-N 2 0 360.506 0.874 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022211415 1170754185 /nfs/dbraw/zinc/75/41/85/1170754185.db2.gz QWZCRRIHULKGOO-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891646409 1170781153 /nfs/dbraw/zinc/78/11/53/1170781153.db2.gz KZDGANQYIFJDIR-NPJQDHAYSA-N 2 0 365.478 0.436 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001691096003 1170801259 /nfs/dbraw/zinc/80/12/59/1170801259.db2.gz RFUJLSLHJKAKLB-APIJFGDWSA-N 2 0 363.462 0.746 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C[C@]2(C)C1 ZINC000891714243 1170833002 /nfs/dbraw/zinc/83/30/02/1170833002.db2.gz NRTIVEBNIWYCJC-XLIONFOSSA-N 2 0 372.517 0.927 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@@H](C)O1 ZINC000891728718 1170837127 /nfs/dbraw/zinc/83/71/27/1170837127.db2.gz OKCIWMRVQJNOMJ-BRSBDYLESA-N 2 0 368.522 0.726 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000891816370 1170886081 /nfs/dbraw/zinc/88/60/81/1170886081.db2.gz WLTGMXFRQIMQFT-UHFFFAOYSA-N 2 0 364.490 0.883 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001691271917 1171007537 /nfs/dbraw/zinc/00/75/37/1171007537.db2.gz MATBQFJVOVOWOA-QWHCGFSZSA-N 2 0 368.507 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104385440 1171064532 /nfs/dbraw/zinc/06/45/32/1171064532.db2.gz WBOBHBRZYAEAIW-IAGOWNOFSA-N 2 0 360.506 0.981 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691333759 1171128556 /nfs/dbraw/zinc/12/85/56/1171128556.db2.gz QOXGFLFHCABCLN-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001691335287 1171133700 /nfs/dbraw/zinc/13/37/00/1171133700.db2.gz LHEHHMZKEOUDPG-JHJVBQTASA-N 2 0 364.412 0.443 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001691348412 1171169261 /nfs/dbraw/zinc/16/92/61/1171169261.db2.gz HGNWGXIXAQZBQC-GDBMZVCRSA-N 2 0 350.463 0.673 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC1 ZINC001022516103 1171352571 /nfs/dbraw/zinc/35/25/71/1171352571.db2.gz JRGKKPYBSOOLHF-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970522 1171360255 /nfs/dbraw/zinc/36/02/55/1171360255.db2.gz LOUZZPDLLXPJPX-QGZVFWFLSA-N 2 0 359.474 0.300 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001022524121 1171362635 /nfs/dbraw/zinc/36/26/35/1171362635.db2.gz MOVUKUYRGSFWAW-ARFHVFGLSA-N 2 0 359.474 0.884 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+](C)CC1 ZINC000892130509 1171620262 /nfs/dbraw/zinc/62/02/62/1171620262.db2.gz MOFXVDUCEUUEIP-UHFFFAOYSA-N 2 0 374.533 0.935 20 0 FCADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000892221337 1171770273 /nfs/dbraw/zinc/77/02/73/1171770273.db2.gz SZUUNMOSKNFXTO-UHFFFAOYSA-N 2 0 362.474 0.304 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC000972153100 1171806523 /nfs/dbraw/zinc/80/65/23/1171806523.db2.gz UXLCBAUZWNHPMC-BRWVUGGUSA-N 2 0 359.474 0.815 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000892262627 1171844978 /nfs/dbraw/zinc/84/49/78/1171844978.db2.gz DPMAXYBYLVBDSK-NVXWUHKLSA-N 2 0 365.522 0.713 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022747002 1171855436 /nfs/dbraw/zinc/85/54/36/1171855436.db2.gz WFKQSMPVOCMJHG-MDMSPXHWSA-N 2 0 356.470 0.457 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)C1 ZINC000972243790 1171883550 /nfs/dbraw/zinc/88/35/50/1171883550.db2.gz YCFITJVECKJPBT-SOLBZPMBSA-N 2 0 367.453 0.959 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CCN1CCOCC1 ZINC000988842942 1192527263 /nfs/dbraw/zinc/52/72/63/1192527263.db2.gz DDVAVLGBAXNVQP-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)Cn1ccnc1 ZINC000989017649 1192627912 /nfs/dbraw/zinc/62/79/12/1192627912.db2.gz WLHZQLVVQIYQHX-HFTRVMKXSA-N 2 0 359.474 0.863 20 0 FCADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989062366 1192667477 /nfs/dbraw/zinc/66/74/77/1192667477.db2.gz VNIOIIKQBJNGTM-LZWOXQAQSA-N 2 0 359.474 0.790 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000897677390 1192841064 /nfs/dbraw/zinc/84/10/64/1192841064.db2.gz NXNNJTAVGBFRPO-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000898005931 1192853665 /nfs/dbraw/zinc/85/36/65/1192853665.db2.gz LOZZMIMBQDOLHY-BZUAXINKSA-N 2 0 371.485 0.860 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001691552280 1192873305 /nfs/dbraw/zinc/87/33/05/1192873305.db2.gz BRIBTNZFNMZKJE-IKGGRYGDSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C)c1nnnn1C ZINC001104468558 1179074089 /nfs/dbraw/zinc/07/40/89/1179074089.db2.gz IJTLTLQQHZVPIN-RBSFLKMASA-N 2 0 360.466 0.632 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211615908 1179987108 /nfs/dbraw/zinc/98/71/08/1179987108.db2.gz MJKRJRIOFJMDDR-SCTDSRPQSA-N 2 0 358.486 0.657 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389541 1180211251 /nfs/dbraw/zinc/21/12/51/1180211251.db2.gz NMMBHIBYUVVWKZ-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2)C(=O)NC(N)=O ZINC001112519246 1180862563 /nfs/dbraw/zinc/86/25/63/1180862563.db2.gz BNRHGJVCWPFMHH-GLJUWKHASA-N 2 0 367.494 0.130 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024650184 1181437122 /nfs/dbraw/zinc/43/71/22/1181437122.db2.gz PKPPMIQVSOVJKB-IAOVAPTHSA-N 2 0 371.441 0.120 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)N3CC[NH+](CC4CC4)CC3)c2)nn1 ZINC000892525404 1181733004 /nfs/dbraw/zinc/73/30/04/1181733004.db2.gz GKSFHVUBOLONQA-UHFFFAOYSA-N 2 0 369.473 0.963 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001927 1181847950 /nfs/dbraw/zinc/84/79/50/1181847950.db2.gz VSNTVFJZRPETDC-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972995597 1181870021 /nfs/dbraw/zinc/87/00/21/1181870021.db2.gz XWVNMVDJVLAWOR-KBAYOESNSA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000973000327 1181878091 /nfs/dbraw/zinc/87/80/91/1181878091.db2.gz QYFVZSZIBIYLIC-BRWVUGGUSA-N 2 0 359.474 0.817 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001104599797 1182267559 /nfs/dbraw/zinc/26/75/59/1182267559.db2.gz FNXCAAQJRVXRPW-HUUCEWRRSA-N 2 0 363.510 0.924 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104623593 1182302025 /nfs/dbraw/zinc/30/20/25/1182302025.db2.gz ALTIWYKVADPESP-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104683923 1182366501 /nfs/dbraw/zinc/36/65/01/1182366501.db2.gz VFOMVEVFAFAWRK-HUUCEWRRSA-N 2 0 363.510 0.516 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001104694167 1182373875 /nfs/dbraw/zinc/37/38/75/1182373875.db2.gz FGYCAPQLTCRLIK-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000892704754 1182384090 /nfs/dbraw/zinc/38/40/90/1182384090.db2.gz NZHQGIGSLIESTN-QZTJIDSGSA-N 2 0 373.501 0.824 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892776102 1182496624 /nfs/dbraw/zinc/49/66/24/1182496624.db2.gz NAXSBSQSOQSIFI-KRWDZBQOSA-N 2 0 368.522 0.897 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052491 1182869692 /nfs/dbraw/zinc/86/96/92/1182869692.db2.gz FOOXRUPGSWUHQI-OKZBNKHCSA-N 2 0 365.522 0.271 20 0 FCADRP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893053051 1182869744 /nfs/dbraw/zinc/86/97/44/1182869744.db2.gz KHCIWSPSDMWWHL-QGZVFWFLSA-N 2 0 369.554 0.622 20 0 FCADRP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001104848782 1182955440 /nfs/dbraw/zinc/95/54/40/1182955440.db2.gz XQGHBVQQJCOJTO-INMHGKMJSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237932 1182967083 /nfs/dbraw/zinc/96/70/83/1182967083.db2.gz PSJFVWYWFLTMMN-FGTMMUONSA-N 2 0 367.538 0.111 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104873853 1182968298 /nfs/dbraw/zinc/96/82/98/1182968298.db2.gz HNWBOPPBEXFEDO-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104908408 1182991040 /nfs/dbraw/zinc/99/10/40/1182991040.db2.gz VVGYTCSOMBUGIO-BPQIPLTHSA-N 2 0 364.534 0.929 20 0 FCADRP CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104914080 1182993840 /nfs/dbraw/zinc/99/38/40/1182993840.db2.gz UJVPAYAWFABQFG-HZPDHXFCSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001026514796 1183145365 /nfs/dbraw/zinc/14/53/65/1183145365.db2.gz RTGDSGLFPMGDST-AGERRDQYSA-N 2 0 363.506 0.699 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001026852730 1183416016 /nfs/dbraw/zinc/41/60/16/1183416016.db2.gz PWDGEJGGBSSRNI-QLFBSQMISA-N 2 0 363.510 0.706 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000975222837 1183765255 /nfs/dbraw/zinc/76/52/55/1183765255.db2.gz LUCSEJMREIQKEV-GVDBMIGSSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211748 1183774550 /nfs/dbraw/zinc/77/45/50/1183774550.db2.gz RVHREGZCQOGHHB-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000975226711 1183788294 /nfs/dbraw/zinc/78/82/94/1183788294.db2.gz SDSLZRNJBMQULD-KBAYOESNSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)CC[N@@H+]1C ZINC000975736565 1185663909 /nfs/dbraw/zinc/66/39/09/1185663909.db2.gz XGCOUITUGHXCGX-XDNAFOTISA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000980015602 1186162713 /nfs/dbraw/zinc/16/27/13/1186162713.db2.gz JWRFNPOISPHDIQ-WRQOLXDDSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001112532378 1186257827 /nfs/dbraw/zinc/25/78/27/1186257827.db2.gz XMKYRCOGWRLXPA-GJYPPUQNSA-N 2 0 366.506 0.191 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981377072 1186405104 /nfs/dbraw/zinc/40/51/04/1186405104.db2.gz XHNZWPFUYQZKIC-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776220 1186516922 /nfs/dbraw/zinc/51/69/22/1186516922.db2.gz HUZXJSGVNDCESP-HLLBOEOZSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCN(C)C2=O)C3)CC[N@@H+]1C ZINC000981778319 1186518841 /nfs/dbraw/zinc/51/88/41/1186518841.db2.gz HKHXOLZBNCXUTP-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211703152 1186601488 /nfs/dbraw/zinc/60/14/88/1186601488.db2.gz WVZXLMUEIAZEMH-GBESFXJTSA-N 2 0 363.502 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441556 1187494569 /nfs/dbraw/zinc/49/45/69/1187494569.db2.gz NVILMHPHTZWRGD-CGTJXYLNSA-N 2 0 358.486 0.788 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893867861 1187519276 /nfs/dbraw/zinc/51/92/76/1187519276.db2.gz RWAGCPBORUPAMN-QZTJIDSGSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332894388 1187539410 /nfs/dbraw/zinc/53/94/10/1187539410.db2.gz YBDVJKXVMKCVBJ-IRXDYDNUSA-N 2 0 367.538 0.422 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000982929334 1187800592 /nfs/dbraw/zinc/80/05/92/1187800592.db2.gz AVJRNDQYVSIJGP-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000550016771 1188163182 /nfs/dbraw/zinc/16/31/82/1188163182.db2.gz FGUNKYPRHXGOJN-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550093446 1188223182 /nfs/dbraw/zinc/22/31/82/1188223182.db2.gz FHORMSGCPZIDLH-IRXDYDNUSA-N 2 0 368.522 0.402 20 0 FCADRP COc1ccc([C@@H]2CC[N@H+](CCO)C[C@@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001087476757 1188248394 /nfs/dbraw/zinc/24/83/94/1188248394.db2.gz CYFZPJMLPLWWIO-WDSOQIARSA-N 2 0 361.486 0.913 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001270668840 1188251396 /nfs/dbraw/zinc/25/13/96/1188251396.db2.gz ZVDMWJWMGNYNOL-YTQUADARSA-N 2 0 360.502 0.659 20 0 FCADRP COc1coc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC000983707434 1188277869 /nfs/dbraw/zinc/27/78/69/1188277869.db2.gz DULOGGKQUXZMEA-IXYNUQLISA-N 2 0 363.458 0.973 20 0 FCADRP CC(C)c1noc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000984011380 1189370077 /nfs/dbraw/zinc/37/00/77/1189370077.db2.gz COBNWPOPVBRVBD-KBUPBQIOSA-N 2 0 365.478 0.897 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001029315513 1189373748 /nfs/dbraw/zinc/37/37/48/1189373748.db2.gz NIJRTHZPYPVJJN-NPJQDHAYSA-N 2 0 362.474 0.197 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001029315514 1189373794 /nfs/dbraw/zinc/37/37/94/1189373794.db2.gz NIJRTHZPYPVJJN-ZVDSWSACSA-N 2 0 362.474 0.197 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001029313398 1189374015 /nfs/dbraw/zinc/37/40/15/1189374015.db2.gz YATHGVORBMXKEM-NRSFXHEJSA-N 2 0 358.486 0.901 20 0 FCADRP Cn1ccc(CN2C[C@@H]3CCN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)n1 ZINC001075803758 1189392378 /nfs/dbraw/zinc/39/23/78/1189392378.db2.gz ATLHSPCKVYDHEH-MAUKXSAKSA-N 2 0 371.489 0.525 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087573976 1189610203 /nfs/dbraw/zinc/61/02/03/1189610203.db2.gz MVPBSOQFEDCAMV-OKZBNKHCSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087728124 1189804592 /nfs/dbraw/zinc/80/45/92/1189804592.db2.gz FDCLECRAVKECOF-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCN1CC(=O)NC1CCCC1 ZINC001087797718 1189827935 /nfs/dbraw/zinc/82/79/35/1189827935.db2.gz FKWLSCLPPYSHAJ-DLBZAZTESA-N 2 0 361.490 0.991 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000895333541 1189836103 /nfs/dbraw/zinc/83/61/03/1189836103.db2.gz HYOXNULHDFVQRU-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000895333542 1189836201 /nfs/dbraw/zinc/83/62/01/1189836201.db2.gz HYOXNULHDFVQRU-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469088 1190064647 /nfs/dbraw/zinc/06/46/47/1190064647.db2.gz UWCIXMDFVYEOOW-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896711270 1190117698 /nfs/dbraw/zinc/11/76/98/1190117698.db2.gz CESPFFLWMOVABI-IBGZPJMESA-N 2 0 373.497 0.980 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995115 1190148663 /nfs/dbraw/zinc/14/86/63/1190148663.db2.gz SXKLVVGJQQJEOS-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037409 1190291523 /nfs/dbraw/zinc/29/15/23/1190291523.db2.gz LFFBHCXALPLNOD-KFWWJZLASA-N 2 0 368.441 0.535 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105977 1190591319 /nfs/dbraw/zinc/59/13/19/1190591319.db2.gz JWWOVWQFLJSKEU-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107327 1190595381 /nfs/dbraw/zinc/59/53/81/1190595381.db2.gz RLJAHAYUSYSASP-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@H]3C2)C1=O ZINC001088121758 1190615683 /nfs/dbraw/zinc/61/56/83/1190615683.db2.gz WLZWDSBTZNSLSY-HLLBOEOZSA-N 2 0 359.474 0.742 20 0 FCADRP COC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136053 1190642104 /nfs/dbraw/zinc/64/21/04/1190642104.db2.gz SSFJLLCPHDIXQD-JZXOWHBKSA-N 2 0 363.506 0.874 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986129578 1190900616 /nfs/dbraw/zinc/90/06/16/1190900616.db2.gz BHXCONXUQSACSL-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)CCC1 ZINC000986130248 1190901048 /nfs/dbraw/zinc/90/10/48/1190901048.db2.gz IVYXTEMQUVTNNP-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281920 1190943731 /nfs/dbraw/zinc/94/37/31/1190943731.db2.gz DSQKAYCYKLABHY-ZACQAIPSSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1cncn1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988146643 1191153283 /nfs/dbraw/zinc/15/32/83/1191153283.db2.gz OSMXDTRPALBZLG-IXDOHACOSA-N 2 0 361.490 0.839 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000988190953 1191157897 /nfs/dbraw/zinc/15/78/97/1191157897.db2.gz RIWCZZSDGCSECX-OLMNPRSZSA-N 2 0 362.518 0.918 20 0 FCADRP CCN1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361880 1191193612 /nfs/dbraw/zinc/19/36/12/1191193612.db2.gz FNPYLYPIJIATTL-PVAVHDDUSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088568587 1191206696 /nfs/dbraw/zinc/20/66/96/1191206696.db2.gz NUEGPVDKQRIZIQ-BMFZPTHFSA-N 2 0 362.474 0.056 20 0 FCADRP Cc1nccnc1CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574859 1191214397 /nfs/dbraw/zinc/21/43/97/1191214397.db2.gz VEYVCUFZDSLGTB-CVEARBPZSA-N 2 0 371.489 0.936 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1Cc1ccnn1C ZINC001088574867 1191214541 /nfs/dbraw/zinc/21/45/41/1191214541.db2.gz VPHALZKLVDNJAU-ZBFHGGJFSA-N 2 0 359.478 0.571 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2CC[NH2+]C2)cc1)C(N)=O ZINC001218181601 1224146028 /nfs/dbraw/zinc/14/60/28/1224146028.db2.gz NHFXJSHYOPUQMD-ULQDDVLXSA-N 2 0 362.474 0.313 20 0 FCADRP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218208535 1224147342 /nfs/dbraw/zinc/14/73/42/1224147342.db2.gz ZQGFPQHGUUMEFJ-ZWKOTPCHSA-N 2 0 362.474 0.856 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305338 1224153136 /nfs/dbraw/zinc/15/31/36/1224153136.db2.gz CVTJOWVMOYJRLW-NSHDSACASA-N 2 0 364.446 0.814 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1)C(N)=O ZINC001218385421 1224157501 /nfs/dbraw/zinc/15/75/01/1224157501.db2.gz IDQZCYWKNXJWHA-ZCPGHIKRSA-N 2 0 362.474 0.312 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001691614292 1193801616 /nfs/dbraw/zinc/80/16/16/1193801616.db2.gz PGQKXJPTINTADZ-FMKPAKJESA-N 2 0 367.494 0.319 20 0 FCADRP CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001691620971 1193808056 /nfs/dbraw/zinc/80/80/56/1193808056.db2.gz MSSCDFXHZLNYPD-XHSDSOJGSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000550945722 1193821961 /nfs/dbraw/zinc/82/19/61/1193821961.db2.gz BSTDQIGEHIZRSB-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2([NH+](C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636736 1193843325 /nfs/dbraw/zinc/84/33/25/1193843325.db2.gz CFLDHIJPSFUMDF-VXNCWWDNSA-N 2 0 367.534 0.819 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000551285027 1193848240 /nfs/dbraw/zinc/84/82/40/1193848240.db2.gz YILYZOULORQZHI-UHFFFAOYSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1Cc1ccnn1C ZINC001088757207 1193891869 /nfs/dbraw/zinc/89/18/69/1193891869.db2.gz NKAVUIWOEXFWDD-KDEDCYCISA-N 2 0 359.474 0.362 20 0 FCADRP CCN1CCN(C(=O)CNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052610 1193900003 /nfs/dbraw/zinc/90/00/03/1193900003.db2.gz HGGHJXHUFCUBFL-SOLBZPMBSA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552470667 1193932601 /nfs/dbraw/zinc/93/26/01/1193932601.db2.gz BLUPHGBJFFIWLP-MRXNPFEDSA-N 2 0 366.506 0.345 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552471982 1193932810 /nfs/dbraw/zinc/93/28/10/1193932810.db2.gz ZJJITUWNZJLTIU-CQSZACIVSA-N 2 0 366.506 0.345 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552544885 1193938469 /nfs/dbraw/zinc/93/84/69/1193938469.db2.gz DZJSYNFWOSEVKL-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105667817 1193941979 /nfs/dbraw/zinc/94/19/79/1193941979.db2.gz UDCMKTYABGRPIW-PSBWJHGTSA-N 2 0 371.522 0.177 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075994776 1193950696 /nfs/dbraw/zinc/95/06/96/1193950696.db2.gz HIJPONQXYNCQFE-DOTOQJQBSA-N 2 0 368.441 0.506 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]21 ZINC001218600504 1224180120 /nfs/dbraw/zinc/18/01/20/1224180120.db2.gz LCYKZDIFIBGGCG-IXDOHACOSA-N 2 0 364.490 0.003 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000552940747 1193960661 /nfs/dbraw/zinc/96/06/61/1193960661.db2.gz IKLDRKBSEUDOSY-QGZVFWFLSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCCCn3cncn3)C[C@@H]21 ZINC001218600936 1224180413 /nfs/dbraw/zinc/18/04/13/1224180413.db2.gz UEPHBOCMBDXXAQ-DLBZAZTESA-N 2 0 364.494 0.312 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553094502 1193971593 /nfs/dbraw/zinc/97/15/93/1193971593.db2.gz DVHWQAUKDSEUNB-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640639 1224188469 /nfs/dbraw/zinc/18/84/69/1224188469.db2.gz LRKNGOZWWAKGRV-MRXNPFEDSA-N 2 0 357.414 0.817 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000842147462 1194057241 /nfs/dbraw/zinc/05/72/41/1194057241.db2.gz FDPFFGOOUKLSKW-INIZCTEOSA-N 2 0 366.506 0.524 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188596 1194084716 /nfs/dbraw/zinc/08/47/16/1194084716.db2.gz ITHGTTBANBYRAT-YLJYHZDGSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088818013 1194123231 /nfs/dbraw/zinc/12/32/31/1194123231.db2.gz RTXUQHVNRXJNGT-FZKCQIBNSA-N 2 0 364.490 0.445 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083522970 1194144146 /nfs/dbraw/zinc/14/41/46/1194144146.db2.gz GFGTVILLFWBFHM-QYZOEREBSA-N 2 0 365.518 0.981 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2)C1CC[NH2+]CC1 ZINC001218694941 1224198336 /nfs/dbraw/zinc/19/83/36/1224198336.db2.gz GSGMYQWEJNSXRK-VQIMIIECSA-N 2 0 359.474 0.908 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC001076070473 1194292464 /nfs/dbraw/zinc/29/24/64/1194292464.db2.gz KYFWCKRZZPBIGP-VZLAHBCRSA-N 2 0 368.481 0.978 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1 ZINC001218737105 1224209106 /nfs/dbraw/zinc/20/91/06/1224209106.db2.gz QJOMDLPNFXYZJU-CQSZACIVSA-N 2 0 355.402 0.855 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001076177090 1194339175 /nfs/dbraw/zinc/33/91/75/1194339175.db2.gz KFNCTSQOMCITRF-LUKYLMHMSA-N 2 0 363.506 0.275 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001076241681 1194363368 /nfs/dbraw/zinc/36/33/68/1194363368.db2.gz XSJCJVWOOSDRGB-FHLIZLRMSA-N 2 0 360.506 0.912 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247032 1194366289 /nfs/dbraw/zinc/36/62/89/1194366289.db2.gz VZLQVFOWGAAJTI-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242826 1194370141 /nfs/dbraw/zinc/37/01/41/1194370141.db2.gz SWAVWFDPZHNLJZ-BPQIPLTHSA-N 2 0 358.486 0.760 20 0 FCADRP COc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(C)cn1 ZINC001218791839 1224223614 /nfs/dbraw/zinc/22/36/14/1224223614.db2.gz PGNLRJXAKNQZIF-ZFWWWQNUSA-N 2 0 363.462 0.784 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076605807 1194593469 /nfs/dbraw/zinc/59/34/69/1194593469.db2.gz ULIGJMAFMIQZEP-HRCADAONSA-N 2 0 362.474 0.200 20 0 FCADRP Cc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccc1N1CCOCC1 ZINC001218874972 1224243283 /nfs/dbraw/zinc/24/32/83/1224243283.db2.gz OCOOBHWDYBHUBF-KRWDZBQOSA-N 2 0 361.490 0.521 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218854947 1224240547 /nfs/dbraw/zinc/24/05/47/1224240547.db2.gz CYHMEGREXVJUFT-QGZVFWFLSA-N 3 0 373.501 0.506 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001218879685 1224243694 /nfs/dbraw/zinc/24/36/94/1224243694.db2.gz GKPLCWJGMLVPRP-KRWDZBQOSA-N 2 0 372.469 0.829 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218881074 1224245705 /nfs/dbraw/zinc/24/57/05/1224245705.db2.gz PXALZLLCGFNVHC-FGTMMUONSA-N 2 0 369.506 0.026 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218880218 1224246406 /nfs/dbraw/zinc/24/64/06/1224246406.db2.gz VHASYFLKPLWBRN-RKVPGOIHSA-N 2 0 372.469 0.685 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1noc2c1C[NH2+]CC2 ZINC001218882137 1224247113 /nfs/dbraw/zinc/24/71/13/1224247113.db2.gz IOMCGNMZLQSVJB-UHFFFAOYSA-N 2 0 355.398 0.618 20 0 FCADRP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001076812620 1195034777 /nfs/dbraw/zinc/03/47/77/1195034777.db2.gz NRPSJZBIDDXEOJ-FGTMMUONSA-N 2 0 361.486 0.883 20 0 FCADRP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218929159 1224261621 /nfs/dbraw/zinc/26/16/21/1224261621.db2.gz AIGSCYQIRTZYFX-JTQLQIEISA-N 2 0 361.377 0.247 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077232946 1195342120 /nfs/dbraw/zinc/34/21/20/1195342120.db2.gz GIAUPFUSACHZDA-CSMYWGQOSA-N 2 0 371.441 0.254 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001218971291 1224274723 /nfs/dbraw/zinc/27/47/23/1224274723.db2.gz WERYYBNNPGHEGI-YESZJQIVSA-N 2 0 369.506 0.291 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001218970894 1224275582 /nfs/dbraw/zinc/27/55/82/1224275582.db2.gz NNKIRSQKDVZVHG-OKZBNKHCSA-N 2 0 369.506 0.435 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276102 1195376150 /nfs/dbraw/zinc/37/61/50/1195376150.db2.gz LVPKBACDJRSDKE-BMGDILEWSA-N 2 0 358.442 0.844 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366543 1195465797 /nfs/dbraw/zinc/46/57/97/1195465797.db2.gz NNWSDEUZAOURJR-KBRIMQKVSA-N 2 0 357.414 0.079 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CCC1 ZINC001077395977 1195492912 /nfs/dbraw/zinc/49/29/12/1195492912.db2.gz ICIFDBTYKYHTKP-KZNAEPCWSA-N 2 0 358.442 0.924 20 0 FCADRP CCCC[C@H](C(N)=O)N1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004271 1224285568 /nfs/dbraw/zinc/28/55/68/1224285568.db2.gz DJVJJNOWIVNBNN-IXDOHACOSA-N 2 0 368.522 0.674 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219010480 1224289288 /nfs/dbraw/zinc/28/92/88/1224289288.db2.gz SRGNJGFOGIYTSE-ZWKOTPCHSA-N 2 0 362.474 0.989 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905154453 1195576252 /nfs/dbraw/zinc/57/62/52/1195576252.db2.gz PPBOJLDKRQWQMD-LPHOPBHVSA-N 2 0 371.522 0.105 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905368587 1195584166 /nfs/dbraw/zinc/58/41/66/1195584166.db2.gz UCBILWBGEQIYNO-UFYCRDLUSA-N 2 0 364.486 0.635 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591314 1195588921 /nfs/dbraw/zinc/58/89/21/1195588921.db2.gz XFRABGNTLBERCK-SJORKVTESA-N 2 0 354.414 0.351 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000906127928 1195613913 /nfs/dbraw/zinc/61/39/13/1195613913.db2.gz OJSDGPKZYMJLHX-UHFFFAOYSA-N 2 0 359.518 0.866 20 0 FCADRP O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221900 1195617391 /nfs/dbraw/zinc/61/73/91/1195617391.db2.gz XHLBEBHTUTZNGV-IRXDYDNUSA-N 2 0 361.490 0.721 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000907288933 1195687540 /nfs/dbraw/zinc/68/75/40/1195687540.db2.gz YMTCKIZCMRNLQZ-HXUWFJFHSA-N 2 0 374.529 0.753 20 0 FCADRP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907350515 1195690086 /nfs/dbraw/zinc/69/00/86/1195690086.db2.gz FNCNSLRVAKMTKR-RRFJBIMHSA-N 2 0 368.522 0.325 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000907456292 1195696969 /nfs/dbraw/zinc/69/69/69/1195696969.db2.gz NCPUCRSZBKUTGY-UHFFFAOYSA-N 2 0 367.582 0.935 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000907804482 1195710367 /nfs/dbraw/zinc/71/03/67/1195710367.db2.gz GWPSTIYHMIQDAQ-JWXAEQQXSA-N 2 0 374.529 0.443 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1=O ZINC000908240049 1195735486 /nfs/dbraw/zinc/73/54/86/1195735486.db2.gz VXPCLRQZHHNLSL-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000910829192 1195850566 /nfs/dbraw/zinc/85/05/66/1195850566.db2.gz OLQWIWPLNGTXBF-NVXWUHKLSA-N 2 0 359.474 0.671 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000910832427 1195851565 /nfs/dbraw/zinc/85/15/65/1195851565.db2.gz QMKWBYIQJUYZIE-IRXDYDNUSA-N 2 0 373.501 0.919 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCCC1 ZINC000910950911 1195867969 /nfs/dbraw/zinc/86/79/69/1195867969.db2.gz WXSHYPIGVDLQQV-IAGOWNOFSA-N 2 0 358.486 0.966 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[C@H](C)C1 ZINC000911032617 1195881164 /nfs/dbraw/zinc/88/11/64/1195881164.db2.gz FSRFTUSZWHRVDV-ZACQAIPSSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000911092331 1195887792 /nfs/dbraw/zinc/88/77/92/1195887792.db2.gz UJLGVACTRNQFQP-BMGDILEWSA-N 2 0 358.486 0.964 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)cc1 ZINC000911358569 1195941626 /nfs/dbraw/zinc/94/16/26/1195941626.db2.gz OXBBQQWVTKTSAH-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219052117 1224321383 /nfs/dbraw/zinc/32/13/83/1224321383.db2.gz GPVCYULHRRQEII-YESZJQIVSA-N 2 0 364.490 0.053 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219065512 1224332010 /nfs/dbraw/zinc/33/20/10/1224332010.db2.gz HBGUDUYRBPUTPV-FGTMMUONSA-N 2 0 369.506 0.171 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)C1)N1CC[NH2+]CC1 ZINC000911705146 1196309226 /nfs/dbraw/zinc/30/92/26/1196309226.db2.gz KJHUTTWJPITFQG-BRSBDYLESA-N 2 0 362.518 0.825 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654946 1196350914 /nfs/dbraw/zinc/35/09/14/1196350914.db2.gz NMGIWSZROYZVOA-OFCZDVHMSA-N 2 0 371.428 0.056 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592547189 1196566217 /nfs/dbraw/zinc/56/62/17/1196566217.db2.gz SKRWFLQMEAHABA-KGLIPLIRSA-N 2 0 362.478 0.179 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)c21 ZINC000592549104 1196566424 /nfs/dbraw/zinc/56/64/24/1196566424.db2.gz RLYAPAVHWJNJIQ-WCQYABFASA-N 2 0 374.411 0.285 20 0 FCADRP Cc1cnc2cc(C(=O)NC3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)ccn12 ZINC000991847584 1196808650 /nfs/dbraw/zinc/80/86/50/1196808650.db2.gz MIZLXAWOAQBHQX-CZUORRHYSA-N 2 0 355.442 0.924 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1noc2c1COCC2 ZINC001088983732 1196856448 /nfs/dbraw/zinc/85/64/48/1196856448.db2.gz LSEPPPUHHAVTDO-HIFRSBDPSA-N 2 0 360.458 0.922 20 0 FCADRP COC(=O)c1cc(F)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C)c1F ZINC001219186446 1224380067 /nfs/dbraw/zinc/38/00/67/1224380067.db2.gz LAEYKEPWXUYHQQ-ZDUSSCGKSA-N 2 0 370.400 0.749 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@H]1C[NH2+]CCN1 ZINC001219194106 1224383397 /nfs/dbraw/zinc/38/33/97/1224383397.db2.gz ZVPNSJMPOAFIAB-OAHLLOKOSA-N 2 0 371.407 0.611 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC001272415491 1197067578 /nfs/dbraw/zinc/06/75/78/1197067578.db2.gz YKBDAGXPSKSQTJ-DJIMGWMZSA-N 2 0 362.474 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)CC[N@@H+]1C ZINC000992399326 1197088295 /nfs/dbraw/zinc/08/82/95/1197088295.db2.gz IAEIUAYXHMGMDF-BBWFWOEESA-N 2 0 366.506 0.153 20 0 FCADRP C[C@H](CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949061 1197157377 /nfs/dbraw/zinc/15/73/77/1197157377.db2.gz MIZOOBUZGUNJKD-AHRSYUTCSA-N 2 0 362.518 0.969 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236333 1224396504 /nfs/dbraw/zinc/39/65/04/1224396504.db2.gz RPZICRSYJJBLKM-KBRIMQKVSA-N 2 0 360.458 0.951 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106139213 1197231284 /nfs/dbraw/zinc/23/12/84/1197231284.db2.gz OHDBLGLCSGRXMA-KBAYOESNSA-N 2 0 362.518 0.635 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142942 1197290570 /nfs/dbraw/zinc/29/05/70/1197290570.db2.gz FLQGJBBJDHAELW-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000992687477 1197302801 /nfs/dbraw/zinc/30/28/01/1197302801.db2.gz KFZGJFKWMGRYPK-HLIPFELVSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219301464 1224418898 /nfs/dbraw/zinc/41/88/98/1224418898.db2.gz WGJPHHCMFGOEJP-MRXNPFEDSA-N 2 0 362.405 0.373 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041023 1197723892 /nfs/dbraw/zinc/72/38/92/1197723892.db2.gz QUXTTXRHEIWOMN-RIFZZMRRSA-N 2 0 362.518 0.872 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249561 1197781197 /nfs/dbraw/zinc/78/11/97/1197781197.db2.gz KVUIRQKMTCQTGZ-KYJSFNMBSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106249574 1197782189 /nfs/dbraw/zinc/78/21/89/1197782189.db2.gz LBVSVQMVZHSQGK-LSBZLQRGSA-N 2 0 364.534 0.879 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[NH+]1CCCC1 ZINC001085295640 1197801483 /nfs/dbraw/zinc/80/14/83/1197801483.db2.gz RBNYFXRETIXPMF-HZPDHXFCSA-N 2 0 365.522 0.903 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000993077094 1197801907 /nfs/dbraw/zinc/80/19/07/1197801907.db2.gz KFZGJFKWMGRYPK-ABSDTBQOSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001085340284 1197832042 /nfs/dbraw/zinc/83/20/42/1197832042.db2.gz ITOCUAKXGUMPBT-XMTFNYHQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106310282 1197861170 /nfs/dbraw/zinc/86/11/70/1197861170.db2.gz PXBAIKDFPZWWOM-IAGOWNOFSA-N 2 0 360.506 0.838 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316241 1197863567 /nfs/dbraw/zinc/86/35/67/1197863567.db2.gz LGMHYHCVYYIHTL-OWCLPIDISA-N 2 0 368.522 0.163 20 0 FCADRP CC1(C)CC(=O)Nc2c(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cccc21 ZINC001219367525 1224444418 /nfs/dbraw/zinc/44/44/18/1224444418.db2.gz RAPBWWVOYFCJGS-AWEZNQCLSA-N 2 0 359.474 0.995 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993155318 1197894881 /nfs/dbraw/zinc/89/48/81/1197894881.db2.gz JNVYJBJMLHVIMJ-MDZRGWNJSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993158758 1197904075 /nfs/dbraw/zinc/90/40/75/1197904075.db2.gz XYXOOSLYCUKWDP-VIPLHTEESA-N 2 0 374.529 0.729 20 0 FCADRP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453556 1197934095 /nfs/dbraw/zinc/93/40/95/1197934095.db2.gz OADXQULTRSLSTL-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001086090681 1198156462 /nfs/dbraw/zinc/15/64/62/1198156462.db2.gz MEYRNKPQFUYSAR-DMRKSPOLSA-N 2 0 366.506 0.058 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CC[N@@H+]1C ZINC001086091777 1198157971 /nfs/dbraw/zinc/15/79/71/1198157971.db2.gz NJHLKLWBYKVMMB-BPKGMFCQSA-N 2 0 360.506 0.980 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219489826 1224485622 /nfs/dbraw/zinc/48/56/22/1224485622.db2.gz WJCYMFKDCBAICY-RDJZCZTQSA-N 2 0 362.474 0.887 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13CC[C@H]1C[NH2+]C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501726 1224489081 /nfs/dbraw/zinc/48/90/81/1224489081.db2.gz XZPIHKQVRVNXDF-KQPNJSLMSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501788 1224489209 /nfs/dbraw/zinc/48/92/09/1224489209.db2.gz YSFYUILMGQBXFX-KPZWWZAWSA-N 3 0 361.446 0.273 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+][C@@H]3CCO[C@@H]31)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501146 1224489351 /nfs/dbraw/zinc/48/93/51/1224489351.db2.gz PUNPVBASIUZOTD-GAOYYMGZSA-N 2 0 372.425 0.194 20 0 FCADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219542479 1224504018 /nfs/dbraw/zinc/50/40/18/1224504018.db2.gz SFEQPAWLQXVYLK-BLLLJJGKSA-N 2 0 366.425 0.586 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@H](C)C1 ZINC000745794297 1198945856 /nfs/dbraw/zinc/94/58/56/1198945856.db2.gz YORLYWIAYYPZJO-QZTJIDSGSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000746257736 1198976424 /nfs/dbraw/zinc/97/64/24/1198976424.db2.gz GCRRROBKPUWTDP-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133749 1199048076 /nfs/dbraw/zinc/04/80/76/1199048076.db2.gz JPRWXELMIDAUER-DMUMMCEESA-N 2 0 364.534 0.772 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCCCC1 ZINC000766880140 1199101002 /nfs/dbraw/zinc/10/10/02/1199101002.db2.gz JXMNGBMJKHBQGI-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610084 1224528146 /nfs/dbraw/zinc/52/81/46/1224528146.db2.gz KSKRZGVZAYYAIM-CZUORRHYSA-N 2 0 368.359 0.960 20 0 FCADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219635527 1224540367 /nfs/dbraw/zinc/54/03/67/1224540367.db2.gz KTIKWWLDHCBYNF-QAETUUGQSA-N 2 0 362.449 0.282 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001219642371 1224543143 /nfs/dbraw/zinc/54/31/43/1224543143.db2.gz SGSOEKIWHPXRRB-XHSDSOJGSA-N 2 0 361.490 0.671 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651867 1224545194 /nfs/dbraw/zinc/54/51/94/1224545194.db2.gz YQELTIFNQLQSCW-FZKCQIBNSA-N 2 0 368.522 0.482 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3[nH]2)C1 ZINC001219696512 1224564060 /nfs/dbraw/zinc/56/40/60/1224564060.db2.gz JSDFZIJEQYZVNV-MAUKXSAKSA-N 2 0 371.485 0.473 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705887 1224567924 /nfs/dbraw/zinc/56/79/24/1224567924.db2.gz SDFAHSDRZTZYGB-INIZCTEOSA-N 2 0 362.474 0.207 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H](c1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC001219714188 1224571084 /nfs/dbraw/zinc/57/10/84/1224571084.db2.gz HDCUIOODUBXHRD-RBSFLKMASA-N 2 0 372.391 0.101 20 0 FCADRP NC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726960 1224578952 /nfs/dbraw/zinc/57/89/52/1224578952.db2.gz SNSMCWIJCMNZAZ-QGZVFWFLSA-N 2 0 358.486 0.332 20 0 FCADRP NC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726959 1224579833 /nfs/dbraw/zinc/57/98/33/1224579833.db2.gz SNSMCWIJCMNZAZ-KRWDZBQOSA-N 2 0 358.486 0.332 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)N2CCC[NH2+]CC2)cc1 ZINC001219737462 1224586678 /nfs/dbraw/zinc/58/66/78/1224586678.db2.gz WOFZCSJWUUHARM-OALUTQOASA-N 2 0 372.513 0.826 20 0 FCADRP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385968 1200109254 /nfs/dbraw/zinc/10/92/54/1200109254.db2.gz ULJKVVLSKGDWGB-WBXGCANISA-N 2 0 364.494 0.554 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749228 1224592288 /nfs/dbraw/zinc/59/22/88/1224592288.db2.gz KUPACXFCXCECBD-HNNXBMFYSA-N 2 0 365.441 0.506 20 0 FCADRP [NH3+][C@@H](C(=O)NCc1nnc2n1CCC[NH2+]C2)C12CC3CC(CC(C3)C1)C2 ZINC001219749211 1224593079 /nfs/dbraw/zinc/59/30/79/1224593079.db2.gz KEBDBPBRJIRUHL-AFRKLYKTSA-N 2 0 358.490 0.931 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219765189 1224600993 /nfs/dbraw/zinc/60/09/93/1224600993.db2.gz WVZGZPUVDZPQRR-GJYPPUQNSA-N 2 0 370.497 0.747 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001109651182 1200444018 /nfs/dbraw/zinc/44/40/18/1200444018.db2.gz NROHABBWSDYHQC-ILXRZTDVSA-N 2 0 362.474 0.199 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668900 1200458518 /nfs/dbraw/zinc/45/85/18/1200458518.db2.gz GMIIXGBASOJQBS-BDXSIMOUSA-N 2 0 369.506 0.074 20 0 FCADRP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793162 1224615928 /nfs/dbraw/zinc/61/59/28/1224615928.db2.gz AVUBTMNAUUOXIY-UZLBHIALSA-N 3 0 364.534 0.868 20 0 FCADRP C[C@H](c1cnccn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847986 1200560233 /nfs/dbraw/zinc/56/02/33/1200560233.db2.gz QFQWYCACHNNYAE-CBZIJGRNSA-N 2 0 359.474 0.981 20 0 FCADRP Cc1nn(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847966 1200560427 /nfs/dbraw/zinc/56/04/27/1200560427.db2.gz PIYIALWURGWFIL-SQNIBIBYSA-N 2 0 361.490 0.672 20 0 FCADRP CCN(CC)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847847 1200560705 /nfs/dbraw/zinc/56/07/05/1200560705.db2.gz JXXDWSUISSBDMY-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219799770 1224620082 /nfs/dbraw/zinc/62/00/82/1224620082.db2.gz CICMTQQVVNVPIN-GJZGRUSLSA-N 2 0 359.474 0.019 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112557337 1200783567 /nfs/dbraw/zinc/78/35/67/1200783567.db2.gz AYADRCUTKTZWGJ-KSSFIOAISA-N 2 0 367.494 0.002 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112563481 1200796094 /nfs/dbraw/zinc/79/60/94/1200796094.db2.gz XDYHMAUVHWLLMP-FTRWYGJKSA-N 2 0 362.518 0.825 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112568003 1200801983 /nfs/dbraw/zinc/80/19/83/1200801983.db2.gz RXHJSIOAIMZWLV-VKJFTORMSA-N 2 0 363.510 0.831 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787106610 1200866095 /nfs/dbraw/zinc/86/60/95/1200866095.db2.gz KPCAQOSBLBSQIT-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000787125248 1200869239 /nfs/dbraw/zinc/86/92/39/1200869239.db2.gz PGVNZDWOWMSIER-QGZVFWFLSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000787123499 1200869546 /nfs/dbraw/zinc/86/95/46/1200869546.db2.gz LJPKQGZJJPXWOH-PBHICJAKSA-N 2 0 366.506 0.345 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001219837292 1224647651 /nfs/dbraw/zinc/64/76/51/1224647651.db2.gz IYFQLRAUGYPPHV-FXAWDEMLSA-N 2 0 373.497 0.819 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219847287 1224651749 /nfs/dbraw/zinc/65/17/49/1224651749.db2.gz BUWNJLDCKSEHRG-ONIAQPFYSA-N 2 0 357.454 0.704 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000793699225 1201258097 /nfs/dbraw/zinc/25/80/97/1201258097.db2.gz KRKVNOFUGAGZMG-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793902493 1201274289 /nfs/dbraw/zinc/27/42/89/1201274289.db2.gz RFWGNZVEEVEKQN-YYIAUSFCSA-N 2 0 366.506 0.202 20 0 FCADRP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433539 1201313413 /nfs/dbraw/zinc/31/34/13/1201313413.db2.gz FVMOZQQDDGNRQS-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433638 1201313589 /nfs/dbraw/zinc/31/35/89/1201313589.db2.gz KCBODNABVSFYBN-BBWFWOEESA-N 2 0 364.494 0.244 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129982316 1201461769 /nfs/dbraw/zinc/46/17/69/1201461769.db2.gz DGNYAQGTKXHZNG-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1)OC ZINC001129992222 1201470645 /nfs/dbraw/zinc/47/06/45/1201470645.db2.gz SQQIYVYNTXFXAS-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011968 1201471141 /nfs/dbraw/zinc/47/11/41/1201471141.db2.gz HCKPFGAXVKKAQU-XHSDSOJGSA-N 2 0 366.510 0.632 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012015 1201471219 /nfs/dbraw/zinc/47/12/19/1201471219.db2.gz JKTNDPGIJVMGHL-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130034096 1201482331 /nfs/dbraw/zinc/48/23/31/1201482331.db2.gz KCMWXFSHWWHQIV-BMFZPTHFSA-N 2 0 361.450 0.258 20 0 FCADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086159 1201494374 /nfs/dbraw/zinc/49/43/74/1201494374.db2.gz NWKYLLBALDZNQT-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130074639 1201495003 /nfs/dbraw/zinc/49/50/03/1201495003.db2.gz CORSZTXALDQFRX-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122963 1201510972 /nfs/dbraw/zinc/51/09/72/1201510972.db2.gz DWQYECSEYYTYEO-BBWFWOEESA-N 2 0 364.494 0.244 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122951 1201511000 /nfs/dbraw/zinc/51/10/00/1201511000.db2.gz CXEMWRYCIXVTSV-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122964 1201511088 /nfs/dbraw/zinc/51/10/88/1201511088.db2.gz DWQYECSEYYTYEO-ZACQAIPSSA-N 2 0 364.494 0.244 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123179 1201511127 /nfs/dbraw/zinc/51/11/27/1201511127.db2.gz KELOCBNZHAPROB-OIISXLGYSA-N 2 0 362.478 0.140 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130137329 1201515458 /nfs/dbraw/zinc/51/54/58/1201515458.db2.gz UFNIWQJAANBWRX-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130148204 1201520431 /nfs/dbraw/zinc/52/04/31/1201520431.db2.gz KDMIMRGPYNHCAB-ZACQAIPSSA-N 2 0 364.494 0.267 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001130237949 1201560404 /nfs/dbraw/zinc/56/04/04/1201560404.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 2 0 366.510 0.881 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1)[NH+](C)C ZINC001130238131 1201561840 /nfs/dbraw/zinc/56/18/40/1201561840.db2.gz VDCOIUNPHROZFX-KKUMJFAQSA-N 2 0 366.510 0.879 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130245210 1201565269 /nfs/dbraw/zinc/56/52/69/1201565269.db2.gz VOPLGNGLOFTRQU-KBPBESRZSA-N 2 0 370.473 0.584 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130251271 1201570628 /nfs/dbraw/zinc/57/06/28/1201570628.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 2 0 370.473 0.583 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)[NH+](C)C ZINC001130292854 1201578698 /nfs/dbraw/zinc/57/86/98/1201578698.db2.gz FIKWCTVUMOLHLP-NJAFHUGGSA-N 2 0 368.522 0.040 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130304984 1201581078 /nfs/dbraw/zinc/58/10/78/1201581078.db2.gz HOKYQIGLZYWSAR-APWZRJJASA-N 2 0 368.522 0.186 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130307670 1201582344 /nfs/dbraw/zinc/58/23/44/1201582344.db2.gz YAXWOSRJEJFJKY-GMBSWORKSA-N 2 0 368.522 0.183 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H](NCc2ccccc2)C(C)(C)[NH3+])CC[NH2+]CC1 ZINC001219999116 1224722304 /nfs/dbraw/zinc/72/23/04/1224722304.db2.gz KPZNDTORZQJLOO-OAHLLOKOSA-N 2 0 362.474 0.294 20 0 FCADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999268 1224722325 /nfs/dbraw/zinc/72/23/25/1224722325.db2.gz OLUCFBRJPLBNJO-MOPGFXCFSA-N 2 0 359.518 0.690 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)CN2CCCC[C@H]([NH3+])C2=O)COC1 ZINC001220022170 1224729563 /nfs/dbraw/zinc/72/95/63/1224729563.db2.gz AVKGRPVSBMCFDE-INIZCTEOSA-N 2 0 360.458 0.083 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2n[nH]cc2c1 ZINC001220024774 1224731587 /nfs/dbraw/zinc/73/15/87/1224731587.db2.gz AZBIRTVQAYRJHZ-RDJZCZTQSA-N 2 0 372.473 0.626 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220043054 1224736182 /nfs/dbraw/zinc/73/61/82/1224736182.db2.gz CWRZFGIRIVDJBW-BEFAXECRSA-N 2 0 352.442 0.496 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130594598 1202727166 /nfs/dbraw/zinc/72/71/66/1202727166.db2.gz QGEJVGJRVJBFJE-XLMAVXFVSA-N 2 0 363.506 0.681 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000806501818 1202743170 /nfs/dbraw/zinc/74/31/70/1202743170.db2.gz GHKPAOKPPAPGOY-DOTOQJQBSA-N 2 0 359.474 0.719 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC[C@@H]2CCCO2)c1 ZINC001130670448 1202751832 /nfs/dbraw/zinc/75/18/32/1202751832.db2.gz YYPKHNNCPQZQGP-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670327 1202751838 /nfs/dbraw/zinc/75/18/38/1202751838.db2.gz XVHHPZNOMLGCJG-FUHWJXTLSA-N 2 0 365.522 0.928 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672520 1202752354 /nfs/dbraw/zinc/75/23/54/1202752354.db2.gz RCDASSTXBCBVOI-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)C(C)C ZINC001130692360 1202754549 /nfs/dbraw/zinc/75/45/49/1202754549.db2.gz GJQZOSZIPBRWHP-JQHSSLGASA-N 2 0 365.522 0.663 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@H]2[NH2+]CCCO)c1 ZINC001130712833 1202759516 /nfs/dbraw/zinc/75/95/16/1202759516.db2.gz OBFPHEMQGYLRMZ-DZGCQCFKSA-N 2 0 360.462 0.387 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712740 1202759821 /nfs/dbraw/zinc/75/98/21/1202759821.db2.gz JSICNWAJGBBNNR-YQQAZPJKSA-N 2 0 369.485 0.630 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726338 1202767976 /nfs/dbraw/zinc/76/79/76/1202767976.db2.gz TUUUXEIUTZZQPW-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1)[NH+](C)C ZINC001130790108 1202798665 /nfs/dbraw/zinc/79/86/65/1202798665.db2.gz IBIHVYOEEVVTCG-RRFJBIMHSA-N 2 0 364.494 0.981 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130804224 1202800886 /nfs/dbraw/zinc/80/08/86/1202800886.db2.gz ACRFGXFBXXDRHT-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1)[NH+](C)C ZINC001130809121 1202802155 /nfs/dbraw/zinc/80/21/55/1202802155.db2.gz IBIHVYOEEVVTCG-SOUVJXGZSA-N 2 0 364.494 0.981 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1 ZINC001130811823 1202805037 /nfs/dbraw/zinc/80/50/37/1202805037.db2.gz LXMAMFUKHXLVJT-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP C[NH+](C)CCCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130817337 1202807746 /nfs/dbraw/zinc/80/77/46/1202807746.db2.gz MDKFCGMVWNZSNA-UONOGXRCSA-N 2 0 370.473 0.932 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOC)C2)CC[N@@H+]1C ZINC001130994339 1202838561 /nfs/dbraw/zinc/83/85/61/1202838561.db2.gz UVICLBQIHRAOJF-YLFCFFPRSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008166 1202842192 /nfs/dbraw/zinc/84/21/92/1202842192.db2.gz UTRMAXNXHWDNHV-IAGOWNOFSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CCO ZINC001131038359 1202849737 /nfs/dbraw/zinc/84/97/37/1202849737.db2.gz NSEYRUJLKRKWRQ-HZPDHXFCSA-N 2 0 363.506 0.561 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108051 1202864129 /nfs/dbraw/zinc/86/41/29/1202864129.db2.gz HNEIHWRBGNZCCF-BZUAXINKSA-N 2 0 361.490 0.435 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131115665 1202864504 /nfs/dbraw/zinc/86/45/04/1202864504.db2.gz SRUSWVCJMOXMRV-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120923 1202865802 /nfs/dbraw/zinc/86/58/02/1202865802.db2.gz DBHKCVYABSPQAJ-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131120918 1202865902 /nfs/dbraw/zinc/86/59/02/1202865902.db2.gz CTARYMMJMSGXLE-IAGOWNOFSA-N 2 0 363.506 0.827 20 0 FCADRP COCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313451 1202888012 /nfs/dbraw/zinc/88/80/12/1202888012.db2.gz SGAVETKOLLYWBM-XHSDSOJGSA-N 2 0 368.478 0.081 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1 ZINC001131564768 1202914737 /nfs/dbraw/zinc/91/47/37/1202914737.db2.gz VFHLTFGPRAJHIN-APWZRJJASA-N 2 0 366.506 0.202 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593074 1202917233 /nfs/dbraw/zinc/91/72/33/1202917233.db2.gz KUYGNZROKQQRDK-WDYCEAGBSA-N 2 0 371.522 0.585 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131582900 1202917921 /nfs/dbraw/zinc/91/79/21/1202917921.db2.gz FHGABEXIYYPHCJ-LMMKCTJWSA-N 2 0 371.522 0.321 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131597198 1202919679 /nfs/dbraw/zinc/91/96/79/1202919679.db2.gz QIAWTBVPLIYNNK-APWZRJJASA-N 2 0 368.522 0.402 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131609024 1202920466 /nfs/dbraw/zinc/92/04/66/1202920466.db2.gz WARHOARNOCTRMH-APWZRJJASA-N 2 0 368.522 0.448 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131609039 1202920670 /nfs/dbraw/zinc/92/06/70/1202920670.db2.gz XCIQLLZHSOQHBU-KYJSFNMBSA-N 2 0 368.522 0.447 20 0 FCADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126583 1203015906 /nfs/dbraw/zinc/01/59/06/1203015906.db2.gz YLGZIWAPOQKAIA-FGTMMUONSA-N 2 0 358.486 0.658 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086740209 1203067028 /nfs/dbraw/zinc/06/70/28/1203067028.db2.gz NINNJSLKSQVZCA-XHSDSOJGSA-N 2 0 363.510 0.705 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086784958 1203092409 /nfs/dbraw/zinc/09/24/09/1203092409.db2.gz CTZZYTOOPYGOGX-XHSDSOJGSA-N 2 0 364.494 0.299 20 0 FCADRP COCCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863267 1203101776 /nfs/dbraw/zinc/10/17/76/1203101776.db2.gz UWJAMNRFCUFVQK-BRWVUGGUSA-N 2 0 370.538 0.744 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001170867259 1203104766 /nfs/dbraw/zinc/10/47/66/1203104766.db2.gz AXYKMGJKMWNHKS-HZPDHXFCSA-N 2 0 363.462 0.760 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001170875115 1203113862 /nfs/dbraw/zinc/11/38/62/1203113862.db2.gz UIIURPJVXCTVAI-IUODEOHRSA-N 2 0 358.442 0.823 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000817926258 1203126538 /nfs/dbraw/zinc/12/65/38/1203126538.db2.gz CJGIELNLWGZAQC-HDICACEKSA-N 2 0 358.486 0.297 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000817926553 1203126557 /nfs/dbraw/zinc/12/65/57/1203126557.db2.gz MXXWPBWAHPOBIA-SJLPKXTDSA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000817988640 1203130703 /nfs/dbraw/zinc/13/07/03/1203130703.db2.gz PZIGWQANAAUFHW-FGTMMUONSA-N 2 0 358.486 0.929 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086820248 1203137222 /nfs/dbraw/zinc/13/72/22/1203137222.db2.gz VSQIHXISJJWLRM-XHSDSOJGSA-N 2 0 363.510 0.848 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086820247 1203137419 /nfs/dbraw/zinc/13/74/19/1203137419.db2.gz VSQIHXISJJWLRM-ARFHVFGLSA-N 2 0 363.510 0.848 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107621 1203279364 /nfs/dbraw/zinc/27/93/64/1203279364.db2.gz PHYZXMDHMOINED-BDXSIMOUSA-N 2 0 369.506 0.339 20 0 FCADRP O=C([C@@H]1[C@H](O)CCN1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670002 1203322890 /nfs/dbraw/zinc/32/28/90/1203322890.db2.gz KHVUJNUIBSYKRT-SJORKVTESA-N 2 0 353.426 0.417 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001143776595 1203335008 /nfs/dbraw/zinc/33/50/08/1203335008.db2.gz RMYMHIMGIVZTRH-UHFFFAOYSA-N 2 0 372.513 0.928 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000844186315 1203338794 /nfs/dbraw/zinc/33/87/94/1203338794.db2.gz WUHTZFTWAIJXJX-KRWDZBQOSA-N 2 0 362.474 0.363 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220221307 1224807382 /nfs/dbraw/zinc/80/73/82/1224807382.db2.gz ZCPBBLYIMSHWHT-QAETUUGQSA-N 3 0 367.538 0.423 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@]2(N)CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228072 1224809783 /nfs/dbraw/zinc/80/97/83/1224809783.db2.gz ABFJVPVFGPVYDJ-OALUTQOASA-N 2 0 360.458 0.001 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261021 1224816037 /nfs/dbraw/zinc/81/60/37/1224816037.db2.gz OMQAUJDKLZOGBU-LJQANCHMSA-N 3 0 365.566 0.898 20 0 FCADRP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220296584 1224822441 /nfs/dbraw/zinc/82/24/41/1224822441.db2.gz SIUYEKQAOGEPLJ-KXBFYZLASA-N 2 0 370.453 0.567 20 0 FCADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000844226526 1204380678 /nfs/dbraw/zinc/38/06/78/1204380678.db2.gz MTNWYPXJJHJSTQ-SFHVURJKSA-N 2 0 362.474 0.901 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220335042 1224832108 /nfs/dbraw/zinc/83/21/08/1224832108.db2.gz GWRNHFYNBBABKH-WMZOPIPTSA-N 2 0 360.502 0.909 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483055 1204523910 /nfs/dbraw/zinc/52/39/10/1204523910.db2.gz JUOXZKONYZBFNV-GJZGRUSLSA-N 2 0 371.526 0.193 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001220345409 1224836182 /nfs/dbraw/zinc/83/61/82/1224836182.db2.gz IIVDUYITWWUVLY-CVEARBPZSA-N 2 0 366.506 0.204 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC[NH+](C)CC1 ZINC001220345998 1224836502 /nfs/dbraw/zinc/83/65/02/1224836502.db2.gz VUFCTAIXOPGFIJ-KBPBESRZSA-N 2 0 370.494 0.008 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220351217 1224838549 /nfs/dbraw/zinc/83/85/49/1224838549.db2.gz WNLQGJWWHAKVTK-IKGGRYGDSA-N 3 0 362.474 0.628 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000846143276 1204596506 /nfs/dbraw/zinc/59/65/06/1204596506.db2.gz DDDAPIPZGSNEAQ-ZBRFXRBCSA-N 2 0 366.506 0.778 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000846329814 1204609810 /nfs/dbraw/zinc/60/98/10/1204609810.db2.gz GJWUJUBVQFBHIH-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353878 1224840167 /nfs/dbraw/zinc/84/01/67/1224840167.db2.gz LNRHWEOPPIEEPJ-LUKYLMHMSA-N 2 0 361.442 0.285 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCN1 ZINC001220356842 1224840842 /nfs/dbraw/zinc/84/08/42/1224840842.db2.gz FMRDAMPTYXDBDY-IXDOHACOSA-N 2 0 360.458 0.123 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000846512079 1204635557 /nfs/dbraw/zinc/63/55/57/1204635557.db2.gz WUXJTHUPDUUQJO-HUUCEWRRSA-N 2 0 370.494 0.109 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358670 1224842464 /nfs/dbraw/zinc/84/24/64/1224842464.db2.gz WBRSVJMGMSSQKY-YVSFHVDLSA-N 2 0 360.458 0.251 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358037 1224842705 /nfs/dbraw/zinc/84/27/05/1224842705.db2.gz OKRRSECYPWCEEP-KURKYZTESA-N 2 0 374.485 0.465 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358286 1224842787 /nfs/dbraw/zinc/84/27/87/1224842787.db2.gz QMJTUYFBIOFSLZ-SJORKVTESA-N 3 0 362.474 0.500 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC[NH+](C)CC1 ZINC001144943366 1204665490 /nfs/dbraw/zinc/66/54/90/1204665490.db2.gz UJOLLFSJZBDUCF-INIZCTEOSA-N 2 0 363.458 0.709 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531215 1204703302 /nfs/dbraw/zinc/70/33/02/1204703302.db2.gz MKBXFLXDUSQNFM-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369667 1224845840 /nfs/dbraw/zinc/84/58/40/1224845840.db2.gz MPEMRTZBFBJYPM-ZACQAIPSSA-N 2 0 371.522 0.321 20 0 FCADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387197 1224852555 /nfs/dbraw/zinc/85/25/55/1224852555.db2.gz FDYJVSYNXFBDGB-HCXYKTFWSA-N 2 0 361.486 0.530 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1)C1CC1 ZINC001091741060 1204838206 /nfs/dbraw/zinc/83/82/06/1204838206.db2.gz XWPJMSBLVSSIFJ-QRWLVFNGSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001086855286 1204850421 /nfs/dbraw/zinc/85/04/21/1204850421.db2.gz QRMBFGXASNDGLU-SQWLQELKSA-N 2 0 359.474 0.914 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086853993 1204852848 /nfs/dbraw/zinc/85/28/48/1204852848.db2.gz CVSPIPAELRPDHK-DLBZAZTESA-N 2 0 360.506 0.865 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2c2cnn(C)c2)cn1 ZINC001086970897 1204870491 /nfs/dbraw/zinc/87/04/91/1204870491.db2.gz MIJKLJACFSEQCC-RCCFBDPRSA-N 2 0 371.489 0.332 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2[NH2+]CCO)cn1 ZINC001086986425 1204880870 /nfs/dbraw/zinc/88/08/70/1204880870.db2.gz ONZNODQNZIAOLF-DLBZAZTESA-N 2 0 354.414 0.258 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086982097 1204886761 /nfs/dbraw/zinc/88/67/61/1204886761.db2.gz SYSGTAAZPXUUTM-RYQLBKOJSA-N 2 0 363.506 0.274 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996705 1204887398 /nfs/dbraw/zinc/88/73/98/1204887398.db2.gz QYEWFJDYQUNQLC-BHYGNILZSA-N 2 0 363.506 0.417 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087001608 1204889762 /nfs/dbraw/zinc/88/97/62/1204889762.db2.gz DDTYVHRMQUFTKK-DLBZAZTESA-N 2 0 359.478 0.396 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087004294 1204891945 /nfs/dbraw/zinc/89/19/45/1204891945.db2.gz QMVCVNKISFUYSQ-ZWKOTPCHSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009372 1204896666 /nfs/dbraw/zinc/89/66/66/1204896666.db2.gz CEACFBKRUFBKSD-ZWKOTPCHSA-N 2 0 371.489 0.334 20 0 FCADRP CC(C)CC[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OC(C)(C)C ZINC001220400510 1224860419 /nfs/dbraw/zinc/86/04/19/1224860419.db2.gz FREWTRFVAWIJMR-HZPDHXFCSA-N 2 0 370.538 1.000 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083725 1204971313 /nfs/dbraw/zinc/97/13/13/1204971313.db2.gz QDRJDRDTILOTNQ-BRWVUGGUSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087083946 1204972264 /nfs/dbraw/zinc/97/22/64/1204972264.db2.gz ZCIBFBMLYLJBJD-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087100864 1204997679 /nfs/dbraw/zinc/99/76/79/1204997679.db2.gz IPLAZMHYQQVTLI-IAGOWNOFSA-N 2 0 361.490 0.834 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087100985 1204997763 /nfs/dbraw/zinc/99/77/63/1204997763.db2.gz OCFTXRDVFZBWPO-BFYDXBDKSA-N 2 0 364.494 0.203 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776637 1205006932 /nfs/dbraw/zinc/00/69/32/1205006932.db2.gz NGDPMFYELYSELG-FCEWJHQRSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787168 1205012487 /nfs/dbraw/zinc/01/24/87/1205012487.db2.gz TWMGHECZIQIADX-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091819163 1205041715 /nfs/dbraw/zinc/04/17/15/1205041715.db2.gz QXIVBKFQGDYPOP-BEFAXECRSA-N 2 0 360.502 0.674 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091824459 1205044466 /nfs/dbraw/zinc/04/44/66/1205044466.db2.gz ZDJQTDHYHNGZCN-OHNRDTAOSA-N 2 0 355.442 0.863 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910073 1205069213 /nfs/dbraw/zinc/06/92/13/1205069213.db2.gz GYYYFAHKRJETPE-QRWLVFNGSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910063 1205069555 /nfs/dbraw/zinc/06/95/55/1205069555.db2.gz GMTOWOOGFYKVLH-UZLBHIALSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014637 1205113918 /nfs/dbraw/zinc/11/39/18/1205113918.db2.gz BJMSEPDSBFOEIT-QINHECLXSA-N 2 0 364.534 0.975 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)C1 ZINC001092014665 1205114349 /nfs/dbraw/zinc/11/43/49/1205114349.db2.gz CGWHLTTXEVMAGY-QRWLVFNGSA-N 2 0 362.518 0.777 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@]3(C)C2)CC1 ZINC001092131305 1205169616 /nfs/dbraw/zinc/16/96/16/1205169616.db2.gz SHYYLPTYROFLFR-UWVAXJGDSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092232920 1205204548 /nfs/dbraw/zinc/20/45/48/1205204548.db2.gz FFCBXXLSZPOSIN-LPMFXHHGSA-N 2 0 359.474 0.708 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001092275383 1205222420 /nfs/dbraw/zinc/22/24/20/1205222420.db2.gz ZVYCWWAJECOOCX-HLIPFELVSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001092523110 1205302516 /nfs/dbraw/zinc/30/25/16/1205302516.db2.gz AQIHEXMTRGNZDV-RKVPGOIHSA-N 2 0 361.490 0.344 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460237 1224880413 /nfs/dbraw/zinc/88/04/13/1224880413.db2.gz FQTUYZAXDVBVED-UHFFFAOYSA-N 2 0 361.450 0.403 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)O1 ZINC001220481352 1224887388 /nfs/dbraw/zinc/88/73/88/1224887388.db2.gz DUEIYYHRKFIHQU-DLVXIWMQSA-N 2 0 372.469 0.946 20 0 FCADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001220492369 1224890776 /nfs/dbraw/zinc/89/07/76/1224890776.db2.gz LQMMEFQSUXNOLT-FUJDEKNSSA-N 2 0 374.485 0.123 20 0 FCADRP CC(C)C[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517064 1224900378 /nfs/dbraw/zinc/90/03/78/1224900378.db2.gz UGMHNLAWQCJCPG-JQHSSLGASA-N 2 0 365.522 0.902 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1 ZINC001220517406 1224900680 /nfs/dbraw/zinc/90/06/80/1224900680.db2.gz KDOCPHXUPYZNEU-YJBOKZPZSA-N 2 0 359.474 0.514 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001220521272 1224902907 /nfs/dbraw/zinc/90/29/07/1224902907.db2.gz AZDBSGGQECFVQK-CQSZACIVSA-N 3 0 364.490 0.377 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)CC[NH2+]C1 ZINC001220523494 1224905391 /nfs/dbraw/zinc/90/53/91/1224905391.db2.gz PNAGJUXQEXYBHK-HNNXBMFYSA-N 2 0 367.446 0.174 20 0 FCADRP O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220527087 1224908193 /nfs/dbraw/zinc/90/81/93/1224908193.db2.gz DQLQKBGWMQTIRP-MJGOQNOKSA-N 2 0 356.470 0.871 20 0 FCADRP O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)[C@@H]1C[NH2+]CCN1 ZINC001220527724 1224908645 /nfs/dbraw/zinc/90/86/45/1224908645.db2.gz NAXVBNCCIPBUGN-IBGZPJMESA-N 2 0 355.486 0.852 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968153 1205968178 /nfs/dbraw/zinc/96/81/78/1205968178.db2.gz NRRKUPKJOQMXFI-IIDMSEBBSA-N 2 0 360.502 0.962 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040989 1206002054 /nfs/dbraw/zinc/00/20/54/1206002054.db2.gz ZNQOBCUYHBTKFB-FMKPAKJESA-N 2 0 364.494 0.006 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134255 1206032228 /nfs/dbraw/zinc/03/22/28/1206032228.db2.gz YOCRNSHNEOQMKW-ZACQAIPSSA-N 2 0 361.490 0.024 20 0 FCADRP COc1cncc(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093134148 1206032348 /nfs/dbraw/zinc/03/23/48/1206032348.db2.gz WELMVLTUPXYJJK-HUUCEWRRSA-N 2 0 359.474 0.765 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093278466 1206070048 /nfs/dbraw/zinc/07/00/48/1206070048.db2.gz ATYNBXUPTUJYJY-FRFSOERESA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093281988 1206071939 /nfs/dbraw/zinc/07/19/39/1206071939.db2.gz XEYSKGTVCLCNIY-CPUCHLNUSA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001093673452 1206099743 /nfs/dbraw/zinc/09/97/43/1206099743.db2.gz QPUPOMZNHAJTAX-RBSFLKMASA-N 2 0 362.478 0.087 20 0 FCADRP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)nn1 ZINC001093773778 1206114073 /nfs/dbraw/zinc/11/40/73/1206114073.db2.gz APOGDEDRHBPOPT-KYJSFNMBSA-N 2 0 360.506 0.824 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1)[NH+](C)C ZINC001093839161 1206129008 /nfs/dbraw/zinc/12/90/08/1206129008.db2.gz ANGYLMFICKTZAM-CPUCHLNUSA-N 2 0 363.510 0.778 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817053 1206134531 /nfs/dbraw/zinc/13/45/31/1206134531.db2.gz YTJYKMDCPHLQQS-IXDOHACOSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093863923 1206136990 /nfs/dbraw/zinc/13/69/90/1206136990.db2.gz APKOYLGTKQBDRL-RBSFLKMASA-N 2 0 364.494 0.804 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093892632 1206139677 /nfs/dbraw/zinc/13/96/77/1206139677.db2.gz UYIXBCVLCNFOLY-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093942162 1206155844 /nfs/dbraw/zinc/15/58/44/1206155844.db2.gz TYZBDTYPRIYMMK-KYJSFNMBSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001094041009 1206173895 /nfs/dbraw/zinc/17/38/95/1206173895.db2.gz STUHJOXWQZLBIU-RBSFLKMASA-N 2 0 364.494 0.804 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094137633 1206191167 /nfs/dbraw/zinc/19/11/67/1206191167.db2.gz USCCVLGXCOFZIJ-HUUCEWRRSA-N 2 0 364.494 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094137393 1206191186 /nfs/dbraw/zinc/19/11/86/1206191186.db2.gz OCBWRFNPUPTAIT-HUUCEWRRSA-N 2 0 364.494 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094169438 1206198211 /nfs/dbraw/zinc/19/82/11/1206198211.db2.gz KVQAPHSXKBKENK-ZIAGYGMSSA-N 2 0 362.478 0.416 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094169924 1206198383 /nfs/dbraw/zinc/19/83/83/1206198383.db2.gz DGSBQLLQCCXPCR-ZIAGYGMSSA-N 2 0 357.462 0.774 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)C1=O ZINC001094170088 1206198416 /nfs/dbraw/zinc/19/84/16/1206198416.db2.gz NFDFAEAQSJOUQP-BRWVUGGUSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001094221104 1206203944 /nfs/dbraw/zinc/20/39/44/1206203944.db2.gz PSVGTPBENGPBAP-NUJGCVRESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@H]45)n3)cc2)CC1 ZINC001212629053 1206252628 /nfs/dbraw/zinc/25/26/28/1206252628.db2.gz HVCCXSYOPSIOES-GJZGRUSLSA-N 2 0 354.414 0.811 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CCC2 ZINC001172172520 1206258823 /nfs/dbraw/zinc/25/88/23/1206258823.db2.gz FIKWBLPUYCCPGL-JKSUJKDBSA-N 2 0 359.474 0.664 20 0 FCADRP CC[N@@H+]1CC[C@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1 ZINC001173362355 1206269611 /nfs/dbraw/zinc/26/96/11/1206269611.db2.gz DZHXLMHLRPWBIX-WMZOPIPTSA-N 2 0 362.522 0.921 20 0 FCADRP c1cn(Cc2nnn3c2C[N@@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CCC3)cn1 ZINC001173752218 1206287377 /nfs/dbraw/zinc/28/73/77/1206287377.db2.gz KQCTZYQFZWVJHU-LSDHHAIUSA-N 2 0 368.449 0.899 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736142 1206364174 /nfs/dbraw/zinc/36/41/74/1206364174.db2.gz QJWRURYBGGBVOW-ZQDZILKHSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H](C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)[NH+]1CCCC1 ZINC001180579244 1206395977 /nfs/dbraw/zinc/39/59/77/1206395977.db2.gz KEGLPQCRUZXDJR-ZDUSSCGKSA-N 2 0 363.462 0.335 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220578589 1224946009 /nfs/dbraw/zinc/94/60/09/1224946009.db2.gz ISLOEKXMQCPORI-CVEARBPZSA-N 2 0 363.458 0.461 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1ccc(N2CCNC2=O)cc1 ZINC001182057993 1206419953 /nfs/dbraw/zinc/41/99/53/1206419953.db2.gz RNTZJVDNRLWTAE-UHFFFAOYSA-N 2 0 360.462 0.823 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220585564 1224951888 /nfs/dbraw/zinc/95/18/88/1224951888.db2.gz PSIKYTPUPAJQRP-BEFAXECRSA-N 2 0 360.458 0.063 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001182684702 1206442099 /nfs/dbraw/zinc/44/20/99/1206442099.db2.gz UZMDEHYRMKPNAA-RBSFLKMASA-N 2 0 362.478 0.198 20 0 FCADRP C[C@H](C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1)[NH+]1CCCC1 ZINC001273502011 1206479134 /nfs/dbraw/zinc/47/91/34/1206479134.db2.gz FPFDEQLAWDNRDD-NVXWUHKLSA-N 2 0 360.502 0.768 20 0 FCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1 ZINC001186115492 1206493969 /nfs/dbraw/zinc/49/39/69/1206493969.db2.gz ANIRIGULSDVAFR-INIZCTEOSA-N 2 0 361.442 0.238 20 0 FCADRP C[NH+]1CCN(c2ccccc2C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001186893316 1206508566 /nfs/dbraw/zinc/50/85/66/1206508566.db2.gz WJVCKZJQWLVTBT-UHFFFAOYSA-N 2 0 352.442 0.847 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220654232 1224994130 /nfs/dbraw/zinc/99/41/30/1224994130.db2.gz KAOASEBIOGNNPU-UYAOXDASSA-N 2 0 371.529 0.929 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1COCc2ccccc21 ZINC001220657913 1224995715 /nfs/dbraw/zinc/99/57/15/1224995715.db2.gz LYPVQBCGCGSLNU-BZSNNMDCSA-N 2 0 374.485 0.821 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CC45CCC[NH+]4CCC5)CC3)[C@H]2C1 ZINC001273558821 1207443598 /nfs/dbraw/zinc/44/35/98/1207443598.db2.gz OWEVLMYOWKVJQC-HOTGVXAUSA-N 2 0 360.502 0.674 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001188963224 1207493300 /nfs/dbraw/zinc/49/33/00/1207493300.db2.gz MAWFYXWTYXEVOE-DLBZAZTESA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001189062279 1207498775 /nfs/dbraw/zinc/49/87/75/1207498775.db2.gz PYNALDWYHWQZIZ-XYJFISCASA-N 2 0 365.474 0.642 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 ZINC001189433812 1207550117 /nfs/dbraw/zinc/55/01/17/1207550117.db2.gz WQDSIHADPPMWEE-DOTOQJQBSA-N 2 0 359.474 0.783 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001189810584 1207603452 /nfs/dbraw/zinc/60/34/52/1207603452.db2.gz BSEWAGAETMZFTB-IPMKNSEASA-N 2 0 361.486 0.831 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819911 1207605197 /nfs/dbraw/zinc/60/51/97/1207605197.db2.gz DHMUYECTTFYZPR-GVDBMIGSSA-N 2 0 366.506 0.107 20 0 FCADRP COc1ccc(CN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nn1 ZINC001189801983 1207610903 /nfs/dbraw/zinc/61/09/03/1207610903.db2.gz PDQFHKHLTHLALT-GOEBONIOSA-N 2 0 363.462 0.096 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189898231 1207624024 /nfs/dbraw/zinc/62/40/24/1207624024.db2.gz GRBKTMPDWRBZRI-JKSUJKDBSA-N 2 0 367.538 0.959 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688806 1225014521 /nfs/dbraw/zinc/01/45/21/1225014521.db2.gz QLGYGABUVFAWCR-KURKYZTESA-N 2 0 367.465 0.232 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(CCOC[C@@H]3CCCCO3)C[C@H]2O)CCC1 ZINC001193773852 1207887989 /nfs/dbraw/zinc/88/79/89/1207887989.db2.gz FAIRFVDOAFQKNW-GVDBMIGSSA-N 2 0 369.506 0.218 20 0 FCADRP CN(C)c1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001193791033 1207889270 /nfs/dbraw/zinc/88/92/70/1207889270.db2.gz BOTHZFWUHRSYBG-RTBURBONSA-N 2 0 360.502 0.898 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC001194038569 1207907750 /nfs/dbraw/zinc/90/77/50/1207907750.db2.gz FDTNNRFSCGCPRX-KZNAEPCWSA-N 2 0 365.518 0.839 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001194102972 1207919163 /nfs/dbraw/zinc/91/91/63/1207919163.db2.gz QZYWCEGVWXSNEX-BRWVUGGUSA-N 2 0 369.506 0.075 20 0 FCADRP C[NH+](C)C[C@H]1COCCN1C(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194528926 1207960316 /nfs/dbraw/zinc/96/03/16/1207960316.db2.gz LUWZKFZEXDMOJB-INIZCTEOSA-N 2 0 364.465 0.980 20 0 FCADRP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831924 1207977840 /nfs/dbraw/zinc/97/78/40/1207977840.db2.gz IVWKFBGNOAHGDT-SFEKYPNESA-N 2 0 363.502 0.757 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)cn1 ZINC001195006426 1207988576 /nfs/dbraw/zinc/98/85/76/1207988576.db2.gz IGKSHBFBSMVPME-IAGOWNOFSA-N 2 0 363.506 0.388 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001195678124 1208033270 /nfs/dbraw/zinc/03/32/70/1208033270.db2.gz YZKGXZGLWHWYER-QZTJIDSGSA-N 2 0 361.486 0.741 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001195980837 1208049152 /nfs/dbraw/zinc/04/91/52/1208049152.db2.gz HCDFPBCWEDRJAE-KZNAEPCWSA-N 2 0 367.465 0.952 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207924 1208065618 /nfs/dbraw/zinc/06/56/18/1208065618.db2.gz WFMIGKHHNSEEAP-BZUAXINKSA-N 2 0 368.522 0.042 20 0 FCADRP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001197536272 1208171611 /nfs/dbraw/zinc/17/16/11/1208171611.db2.gz QQIPNNACHKXFNI-CEXWTWQISA-N 2 0 363.502 0.786 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@]3(N)CCC[NH2+]C3)CC2)cc1 ZINC001220743852 1225048402 /nfs/dbraw/zinc/04/84/02/1225048402.db2.gz SKEQTLWCOSHLKF-HXUWFJFHSA-N 2 0 360.502 0.899 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@H]1O ZINC001197826441 1208201906 /nfs/dbraw/zinc/20/19/06/1208201906.db2.gz XGEMIXSGMWVTGO-CTDFLUCESA-N 2 0 361.486 0.829 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)c1ccccc1 ZINC001197826215 1208201924 /nfs/dbraw/zinc/20/19/24/1208201924.db2.gz QZKDDIVIMGHWSG-KZNAEPCWSA-N 2 0 365.474 0.114 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)n2cc(C[NH3+])cnc2=N)cc1 ZINC001198036622 1208216071 /nfs/dbraw/zinc/21/60/71/1208216071.db2.gz NKKBYHZWPVGULU-UHFFFAOYSA-N 2 0 356.474 0.893 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652788 1208277142 /nfs/dbraw/zinc/27/71/42/1208277142.db2.gz BRQZGVNVXUZSPC-IPMKNSEASA-N 2 0 361.486 0.706 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001198699162 1208279199 /nfs/dbraw/zinc/27/91/99/1208279199.db2.gz LOELIFLSKDVSLY-QXAKKESOSA-N 2 0 361.486 0.359 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001198698934 1208279459 /nfs/dbraw/zinc/27/94/59/1208279459.db2.gz IBIIHHCQQIPADP-CGTJXYLNSA-N 2 0 365.518 0.696 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199071270 1208316200 /nfs/dbraw/zinc/31/62/00/1208316200.db2.gz QZFZFXWPFBYRSX-CEXWTWQISA-N 2 0 367.534 0.965 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199071282 1208316539 /nfs/dbraw/zinc/31/65/39/1208316539.db2.gz RCWCTVZIWBXWQL-QZTJIDSGSA-N 2 0 363.506 0.483 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@@H]1O ZINC001220768662 1225063357 /nfs/dbraw/zinc/06/33/57/1225063357.db2.gz XGEMIXSGMWVTGO-AAYGWRJKSA-N 2 0 361.486 0.829 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@@H]1O ZINC001220768358 1225063590 /nfs/dbraw/zinc/06/35/90/1225063590.db2.gz ILBIOVDSUQNZAI-MSOLQXFVSA-N 2 0 367.465 0.498 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201230504 1208449329 /nfs/dbraw/zinc/44/93/29/1208449329.db2.gz SWXCWJYJOASCES-GDBMZVCRSA-N 2 0 368.522 0.591 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229461 1208449355 /nfs/dbraw/zinc/44/93/55/1208449355.db2.gz CEMBFSRDFCJNEM-HLLBOEOZSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001488524672 1208529142 /nfs/dbraw/zinc/52/91/42/1208529142.db2.gz FKAYPHOALVGJLX-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)c1cccnc1N1CC[NH2+]CC1 ZINC001220793818 1225077561 /nfs/dbraw/zinc/07/75/61/1225077561.db2.gz IKNKXXWEHCYLPM-AEFFLSMTSA-N 2 0 366.469 0.967 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001489191401 1208654051 /nfs/dbraw/zinc/65/40/51/1208654051.db2.gz NHTGBUHOWCRICK-CVEARBPZSA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220807225 1225082844 /nfs/dbraw/zinc/08/28/44/1225082844.db2.gz RAMJDVMARNFYQZ-QRVBRYPASA-N 2 0 363.502 0.483 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001489535867 1208897294 /nfs/dbraw/zinc/89/72/94/1208897294.db2.gz ZHVBAEGSDUWKFQ-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@@H]2C1)[NH+](C)C ZINC001490041475 1209222912 /nfs/dbraw/zinc/22/29/12/1209222912.db2.gz VXJMXXSTNLKKCT-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000850841722 1209492279 /nfs/dbraw/zinc/49/22/79/1209492279.db2.gz NSULNCNCFSKQJL-UHFFFAOYSA-N 2 0 359.474 0.765 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000851631084 1209508102 /nfs/dbraw/zinc/50/81/02/1209508102.db2.gz QVXWBUUHQLPQBU-AWEZNQCLSA-N 2 0 358.402 0.398 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000851688899 1209514082 /nfs/dbraw/zinc/51/40/82/1209514082.db2.gz GKTJQHPWUNNUOZ-SFHVURJKSA-N 2 0 373.501 0.607 20 0 FCADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001220926321 1225144312 /nfs/dbraw/zinc/14/43/12/1225144312.db2.gz HFZAEXNIKRTVCM-LSDHHAIUSA-N 2 0 363.462 0.162 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926455 1225144432 /nfs/dbraw/zinc/14/44/32/1225144432.db2.gz MXYNFPZUJCPDCF-SFHVURJKSA-N 2 0 356.474 0.713 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000852739625 1209561722 /nfs/dbraw/zinc/56/17/22/1209561722.db2.gz CNKSIGQLXHTISZ-FGYAAKKASA-N 2 0 368.566 0.294 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665478 1209592757 /nfs/dbraw/zinc/59/27/57/1209592757.db2.gz XDEOWKAXJICHGM-TWMKSMIVSA-N 2 0 369.506 0.216 20 0 FCADRP Cc1ccc([C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)N2CCC([NH3+])CC2)cc1 ZINC001220937539 1225148965 /nfs/dbraw/zinc/14/89/65/1225148965.db2.gz UTMCCZVTLCQSCY-RBUKOAKNSA-N 2 0 360.502 0.954 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000857102669 1209742478 /nfs/dbraw/zinc/74/24/78/1209742478.db2.gz JUVOEIDTADDOLF-GMBSWORKSA-N 2 0 364.490 0.086 20 0 FCADRP COc1ccccc1Cn1cncc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220968853 1225165318 /nfs/dbraw/zinc/16/53/18/1225165318.db2.gz GFRPJHKNMITWQG-INIZCTEOSA-N 2 0 355.442 0.365 20 0 FCADRP COc1ccccc1Cn1cncc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220968962 1225165473 /nfs/dbraw/zinc/16/54/73/1225165473.db2.gz JHZWOTYFRAXZMN-GOSISDBHSA-N 2 0 357.458 0.883 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861573673 1209871658 /nfs/dbraw/zinc/87/16/58/1209871658.db2.gz JLXKVNKQAXUCCE-OKZBNKHCSA-N 2 0 366.506 0.650 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741322 1209878677 /nfs/dbraw/zinc/87/86/77/1209878677.db2.gz ZXZFLSYMONUZRT-PBHICJAKSA-N 2 0 364.490 1.000 20 0 FCADRP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220974634 1225169632 /nfs/dbraw/zinc/16/96/32/1225169632.db2.gz FUNPKTSHKZMIES-OXQOHEQNSA-N 2 0 360.477 0.806 20 0 FCADRP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000864906112 1209967702 /nfs/dbraw/zinc/96/77/02/1209967702.db2.gz LTJXIVPOFJXAKL-ZHCJQAHYSA-N 2 0 366.481 0.811 20 0 FCADRP O=C(/C=C/CN1CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070161 1209970018 /nfs/dbraw/zinc/97/00/18/1209970018.db2.gz QDUHOYIJOXBLGM-HNQUOIGGSA-N 2 0 373.501 0.598 20 0 FCADRP O=C(C(F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000865126641 1209971481 /nfs/dbraw/zinc/97/14/81/1209971481.db2.gz YNLVJTWJIQTTIE-HZPDHXFCSA-N 2 0 366.481 0.718 20 0 FCADRP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@H](F)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000866044135 1209990426 /nfs/dbraw/zinc/99/04/26/1209990426.db2.gz PCXOQWGFQWGGNC-MTSZKFMLSA-N 2 0 370.513 0.922 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458283 1209996608 /nfs/dbraw/zinc/99/66/08/1209996608.db2.gz ZXUKTGURHNFPPY-CGWQNEBGSA-N 2 0 366.481 0.807 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC1(c2cc(OC)ccn2)CCOCC1 ZINC001220990748 1225177894 /nfs/dbraw/zinc/17/78/94/1225177894.db2.gz XLWQHQSSWGZQHB-INIZCTEOSA-N 2 0 364.490 0.972 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221004946 1225182279 /nfs/dbraw/zinc/18/22/79/1225182279.db2.gz SVDXSJPAPQTHAN-ULQDDVLXSA-N 2 0 359.474 0.011 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868305239 1210050738 /nfs/dbraw/zinc/05/07/38/1210050738.db2.gz SCIQNEXBGUDKMS-QAQDUYKDSA-N 2 0 373.501 0.616 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868360954 1210055324 /nfs/dbraw/zinc/05/53/24/1210055324.db2.gz ZNKAGYZAKCKIDO-HDICACEKSA-N 2 0 358.486 0.582 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276818511 1225192923 /nfs/dbraw/zinc/19/29/23/1225192923.db2.gz OEZJFVAFXXSRJR-BEFAXECRSA-N 2 0 369.506 0.708 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070293 1225208349 /nfs/dbraw/zinc/20/83/49/1225208349.db2.gz MMKWJOACVIUDQA-YRIWUQCMSA-N 2 0 369.506 0.547 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001221073041 1225209773 /nfs/dbraw/zinc/20/97/73/1225209773.db2.gz CORSSIRPQDPFPJ-QRVBRYPASA-N 2 0 361.486 0.757 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000876773468 1210429070 /nfs/dbraw/zinc/42/90/70/1210429070.db2.gz RJRBVVGUBAALDI-SJORKVTESA-N 2 0 361.490 0.910 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000876781533 1210429684 /nfs/dbraw/zinc/42/96/84/1210429684.db2.gz HWEXULWWCDBGRZ-WBVHZDCISA-N 2 0 362.522 0.729 20 0 FCADRP Cn1ncc(C[NH3+])c1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000876782793 1210430539 /nfs/dbraw/zinc/43/05/39/1210430539.db2.gz ZUVRJTSTSNWPGN-UHFFFAOYSA-N 2 0 356.474 0.821 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783955 1210430962 /nfs/dbraw/zinc/43/09/62/1210430962.db2.gz RVEBEYNRJDOVNU-ROUUACIJSA-N 2 0 374.533 0.968 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221081413 1225213697 /nfs/dbraw/zinc/21/36/97/1225213697.db2.gz KBJLHHOMDGETMT-KURKYZTESA-N 2 0 369.506 0.219 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001221091919 1225218971 /nfs/dbraw/zinc/21/89/71/1225218971.db2.gz ZXRLFKIDKPKGPY-MSOLQXFVSA-N 2 0 361.486 0.666 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000888887439 1210593234 /nfs/dbraw/zinc/59/32/34/1210593234.db2.gz NXIFIGLLYXXQKV-JKSUJKDBSA-N 2 0 369.510 0.249 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332196 1210661935 /nfs/dbraw/zinc/66/19/35/1210661935.db2.gz PPPXUNYPICOUKK-MSOLQXFVSA-N 2 0 366.506 0.792 20 0 FCADRP C[C@H](CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000883332316 1210662375 /nfs/dbraw/zinc/66/23/75/1210662375.db2.gz RZSXZOJHMMNXRX-OAHLLOKOSA-N 2 0 365.522 0.985 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883331900 1210662401 /nfs/dbraw/zinc/66/24/01/1210662401.db2.gz JFNAMQNIVGBXBS-OKZBNKHCSA-N 2 0 366.506 0.792 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883604924 1210673853 /nfs/dbraw/zinc/67/38/53/1210673853.db2.gz HODRXQXWMLWNDW-WMLDXEAASA-N 2 0 359.474 0.763 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC[NH2+]1 ZINC000883606670 1210674214 /nfs/dbraw/zinc/67/42/14/1210674214.db2.gz YUNWZXSTHIWQHG-QAPCUYQASA-N 2 0 371.485 0.730 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]1 ZINC000883606668 1210674476 /nfs/dbraw/zinc/67/44/76/1210674476.db2.gz YUNWZXSTHIWQHG-CRAIPNDOSA-N 2 0 371.485 0.730 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC[NH2+]1 ZINC000883606671 1210674501 /nfs/dbraw/zinc/67/45/01/1210674501.db2.gz YUNWZXSTHIWQHG-YJBOKZPZSA-N 2 0 371.485 0.730 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000883626126 1210675986 /nfs/dbraw/zinc/67/59/86/1210675986.db2.gz QGFPUIFWOPXATC-UHFFFAOYSA-N 2 0 362.478 0.818 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883639213 1210677088 /nfs/dbraw/zinc/67/70/88/1210677088.db2.gz JIMVXPUTJPSJIB-XHSDSOJGSA-N 2 0 357.458 0.472 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883638702 1210677123 /nfs/dbraw/zinc/67/71/23/1210677123.db2.gz UMEAUVPDYGZLSP-WBVHZDCISA-N 2 0 361.490 0.951 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883640729 1210677852 /nfs/dbraw/zinc/67/78/52/1210677852.db2.gz XMYUCNRNSJZLIE-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883646878 1210678831 /nfs/dbraw/zinc/67/88/31/1210678831.db2.gz DMCKFQGIERTRJS-DOTOQJQBSA-N 2 0 359.474 0.719 20 0 FCADRP COCC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000884236374 1210725729 /nfs/dbraw/zinc/72/57/29/1210725729.db2.gz SQRDEKPUTWQELG-INIZCTEOSA-N 2 0 364.490 0.639 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884486034 1210737643 /nfs/dbraw/zinc/73/76/43/1210737643.db2.gz MOACIZOOXTYVLZ-SJORKVTESA-N 2 0 374.485 0.596 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884485656 1210737768 /nfs/dbraw/zinc/73/77/68/1210737768.db2.gz CYXRNPNSBYQQGN-IYBDPMFKSA-N 2 0 360.458 0.206 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884490558 1210738295 /nfs/dbraw/zinc/73/82/95/1210738295.db2.gz ACFCEYHIGOFOHP-ARFHVFGLSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884490656 1210738333 /nfs/dbraw/zinc/73/83/33/1210738333.db2.gz BZPNBFGRIIGXDA-FGTMMUONSA-N 2 0 358.486 0.806 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884490658 1210738428 /nfs/dbraw/zinc/73/84/28/1210738428.db2.gz BZPNBFGRIIGXDA-OKZBNKHCSA-N 2 0 358.486 0.806 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884490657 1210738523 /nfs/dbraw/zinc/73/85/23/1210738523.db2.gz BZPNBFGRIIGXDA-KZNAEPCWSA-N 2 0 358.486 0.806 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000884488827 1210738751 /nfs/dbraw/zinc/73/87/51/1210738751.db2.gz HVHJBXZHYHYWQE-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884490890 1210739270 /nfs/dbraw/zinc/73/92/70/1210739270.db2.gz IYCVCTLPUWDRSW-DLBZAZTESA-N 2 0 358.486 0.938 20 0 FCADRP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1(C[NH3+])CCCCC1 ZINC000884507360 1210740937 /nfs/dbraw/zinc/74/09/37/1210740937.db2.gz AXZFIZKSGWOKII-UHFFFAOYSA-N 2 0 367.538 0.249 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000884508180 1210741091 /nfs/dbraw/zinc/74/10/91/1210741091.db2.gz XAOLLKNEVLLUNR-OAHLLOKOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884510053 1210742294 /nfs/dbraw/zinc/74/22/94/1210742294.db2.gz XFZJYXJBJIXGAC-OLMNPRSZSA-N 2 0 371.485 0.686 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000884516446 1210742604 /nfs/dbraw/zinc/74/26/04/1210742604.db2.gz KXRNQHGVCZKSRQ-ZOBUZTSGSA-N 2 0 366.506 0.380 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000884516326 1210743143 /nfs/dbraw/zinc/74/31/43/1210743143.db2.gz HUCKXIONZQJUII-MRXNPFEDSA-N 2 0 366.506 0.476 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000884518769 1210743840 /nfs/dbraw/zinc/74/38/40/1210743840.db2.gz ZFTTVNLMSTYHPP-QZTJIDSGSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884533084 1210746463 /nfs/dbraw/zinc/74/64/63/1210746463.db2.gz YTNPLTUALRVFHS-LMSBXDPUSA-N 2 0 370.497 0.832 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000884553676 1210749023 /nfs/dbraw/zinc/74/90/23/1210749023.db2.gz FAROWOGXNIKZCI-COXVUDFISA-N 2 0 356.470 0.559 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000884553854 1210749415 /nfs/dbraw/zinc/74/94/15/1210749415.db2.gz IRJAGCGQCSCSFX-XJKSGUPXSA-N 2 0 356.470 0.690 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000884557164 1210749691 /nfs/dbraw/zinc/74/96/91/1210749691.db2.gz IUTDPUOCALFKBG-UHFFFAOYSA-N 2 0 373.501 0.892 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884557729 1210750883 /nfs/dbraw/zinc/75/08/83/1210750883.db2.gz XRPYSAKFQNOPAH-MSOLQXFVSA-N 2 0 371.485 0.515 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000884560170 1210752102 /nfs/dbraw/zinc/75/21/02/1210752102.db2.gz PDAGDAFRAKDVIP-PBHICJAKSA-N 2 0 358.486 0.888 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000884576571 1210754343 /nfs/dbraw/zinc/75/43/43/1210754343.db2.gz KQPHTCHHNBVJDZ-ZTFGCOKTSA-N 2 0 358.486 0.888 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884576247 1210754925 /nfs/dbraw/zinc/75/49/25/1210754925.db2.gz CNXSYWQNKHSKTD-BZSNNMDCSA-N 2 0 356.470 0.512 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000884578310 1210756467 /nfs/dbraw/zinc/75/64/67/1210756467.db2.gz XKRCVICARJBUOX-GHTZIAJQSA-N 2 0 370.497 0.619 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598321 1210759102 /nfs/dbraw/zinc/75/91/02/1210759102.db2.gz YGOWKOGRRCJZNI-HUUCEWRRSA-N 2 0 374.476 0.976 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598307 1210759223 /nfs/dbraw/zinc/75/92/23/1210759223.db2.gz XSBSGRBKNLSIJO-OGNFBWPZSA-N 2 0 364.534 0.929 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884603159 1210759627 /nfs/dbraw/zinc/75/96/27/1210759627.db2.gz CPWPXHLPMKUNFQ-KRWDZBQOSA-N 2 0 374.485 0.176 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884601467 1210759646 /nfs/dbraw/zinc/75/96/46/1210759646.db2.gz MBSGKXFBZWSVFP-KBAYOESNSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884604212 1210760591 /nfs/dbraw/zinc/76/05/91/1210760591.db2.gz BSUKUGCHQMPFQV-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000884608415 1210761785 /nfs/dbraw/zinc/76/17/85/1210761785.db2.gz QCYWIKXAXSMZFR-ZWOKBUDYSA-N 2 0 356.470 0.588 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000884623942 1210764477 /nfs/dbraw/zinc/76/44/77/1210764477.db2.gz SLRGSOHNYDVEFL-YJBOKZPZSA-N 2 0 358.486 0.829 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@H+](C)CC1 ZINC000884623505 1210764578 /nfs/dbraw/zinc/76/45/78/1210764578.db2.gz FVNWWKPCRSIRII-ZBFHGGJFSA-N 2 0 364.490 0.028 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626662 1210765436 /nfs/dbraw/zinc/76/54/36/1210765436.db2.gz RHCUHHHUMILPCR-BZSNNMDCSA-N 2 0 356.470 0.560 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000884629951 1210766432 /nfs/dbraw/zinc/76/64/32/1210766432.db2.gz NQNNQKDTEIPZRZ-GDBMZVCRSA-N 2 0 362.474 0.581 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000884640621 1210770248 /nfs/dbraw/zinc/77/02/48/1210770248.db2.gz KVZJUIKXZQZJPP-UHFFFAOYSA-N 2 0 358.486 0.939 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000884646578 1210772447 /nfs/dbraw/zinc/77/24/47/1210772447.db2.gz XLFYBALDTLBVLY-DZKDUJFISA-N 2 0 370.497 0.834 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000884668934 1210774784 /nfs/dbraw/zinc/77/47/84/1210774784.db2.gz HMDZODKIXVCURP-INIZCTEOSA-N 2 0 368.522 0.496 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000884668730 1210775113 /nfs/dbraw/zinc/77/51/13/1210775113.db2.gz ASHUNAALMZZJPN-ZVZYQTTQSA-N 2 0 374.485 0.896 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670431 1210776135 /nfs/dbraw/zinc/77/61/35/1210776135.db2.gz ZPIOWPOJADEKDH-RCCFBDPRSA-N 2 0 356.470 0.560 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884674404 1210776675 /nfs/dbraw/zinc/77/66/75/1210776675.db2.gz VEAIUTYOFXODOP-BPQIPLTHSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1c1cc[nH+]cc1 ZINC000884672258 1210777620 /nfs/dbraw/zinc/77/76/20/1210777620.db2.gz NVSGZEZEBCHGII-OAHLLOKOSA-N 2 0 359.474 0.897 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688527 1210781300 /nfs/dbraw/zinc/78/13/00/1210781300.db2.gz GQPXDFLVQAMYIZ-NXHRZFHOSA-N 2 0 358.486 0.739 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884690012 1210781623 /nfs/dbraw/zinc/78/16/23/1210781623.db2.gz HQCVNKHBWFLVIL-ZWKOTPCHSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NCC[NH2+]C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884689883 1210781725 /nfs/dbraw/zinc/78/17/25/1210781725.db2.gz BXOGMYLEGGHOCJ-LAUBAEHRSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000884692991 1210782210 /nfs/dbraw/zinc/78/22/10/1210782210.db2.gz HJIAPAWXOXHYJC-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000884699007 1210783115 /nfs/dbraw/zinc/78/31/15/1210783115.db2.gz WEANZAVGLNJGBN-WMLDXEAASA-N 2 0 362.474 0.023 20 0 FCADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000884703478 1210783499 /nfs/dbraw/zinc/78/34/99/1210783499.db2.gz AUKZBBOSOFOQLO-WBVHZDCISA-N 2 0 362.474 0.166 20 0 FCADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000884697900 1210783982 /nfs/dbraw/zinc/78/39/82/1210783982.db2.gz GNHZWWXZPSYYAN-WBVHZDCISA-N 2 0 362.474 0.023 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706220 1210784326 /nfs/dbraw/zinc/78/43/26/1210784326.db2.gz VVVZVTCTLAXXIG-CABCVRRESA-N 2 0 366.506 0.693 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000884706549 1210784869 /nfs/dbraw/zinc/78/48/69/1210784869.db2.gz GYRUGSVPEUMQPR-HUUCEWRRSA-N 2 0 366.506 0.693 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716276 1210786845 /nfs/dbraw/zinc/78/68/45/1210786845.db2.gz SYGGWVJHUBFJJS-ROUUACIJSA-N 2 0 358.486 0.944 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000884716610 1210786876 /nfs/dbraw/zinc/78/68/76/1210786876.db2.gz CWUXWPSBQNTYNR-RYQLBKOJSA-N 2 0 358.486 0.800 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884722657 1210789499 /nfs/dbraw/zinc/78/94/99/1210789499.db2.gz GTNZXWOFGVGQNF-JZXOWHBKSA-N 2 0 360.502 0.985 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884775019 1210793712 /nfs/dbraw/zinc/79/37/12/1210793712.db2.gz WNCLGSBFZYYDID-LVQVYYBASA-N 2 0 368.522 0.495 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884796821 1210797212 /nfs/dbraw/zinc/79/72/12/1210797212.db2.gz KWZDBAPEKHSYQZ-HNNXBMFYSA-N 2 0 372.460 0.586 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000884804770 1210797312 /nfs/dbraw/zinc/79/73/12/1210797312.db2.gz JSDDBQJOCPFNAK-GOEBONIOSA-N 2 0 357.458 0.520 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884810967 1210797755 /nfs/dbraw/zinc/79/77/55/1210797755.db2.gz NCGIUISIWHNPPJ-FGTMMUONSA-N 2 0 358.486 0.942 20 0 FCADRP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000884832811 1210799711 /nfs/dbraw/zinc/79/97/11/1210799711.db2.gz AMCVGWZWAJXPBQ-BURFUSLBSA-N 2 0 358.486 0.676 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH2+]C1 ZINC000884875524 1210802207 /nfs/dbraw/zinc/80/22/07/1210802207.db2.gz DPSAZVOZCTUSIN-OAHLLOKOSA-N 2 0 359.474 0.625 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000884982444 1210806490 /nfs/dbraw/zinc/80/64/90/1210806490.db2.gz BXHNBFIDQQPPQY-BRWVUGGUSA-N 2 0 362.449 0.583 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@H]1C[NH3+] ZINC000884975709 1210806567 /nfs/dbraw/zinc/80/65/67/1210806567.db2.gz GKUPKUFCEFYGBA-IAGOWNOFSA-N 2 0 368.522 0.435 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH3+])CC3)C2)cc1 ZINC000884983305 1210807053 /nfs/dbraw/zinc/80/70/53/1210807053.db2.gz QDEOSHUGKHIEHL-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983096 1210807192 /nfs/dbraw/zinc/80/71/92/1210807192.db2.gz NUPBKOLYNRZZAX-RXVVDRJESA-N 2 0 370.497 0.898 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139615 1210811771 /nfs/dbraw/zinc/81/17/71/1210811771.db2.gz KGKCLPMOEUJKCV-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153178 1225242360 /nfs/dbraw/zinc/24/23/60/1225242360.db2.gz DEGLNYJWUKKUHA-HNNXBMFYSA-N 2 0 362.478 0.677 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000885162335 1210813937 /nfs/dbraw/zinc/81/39/37/1210813937.db2.gz KZYXRKOWQFMLGA-QZTJIDSGSA-N 2 0 356.470 0.514 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167678 1210814360 /nfs/dbraw/zinc/81/43/60/1210814360.db2.gz ORSYMDMASDIFID-ROUUACIJSA-N 2 0 358.486 0.758 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885163035 1210814377 /nfs/dbraw/zinc/81/43/77/1210814377.db2.gz WWYUAVRLZGHWGZ-QAPCUYQASA-N 2 0 358.486 0.617 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000885285275 1210817375 /nfs/dbraw/zinc/81/73/75/1210817375.db2.gz OEMAMRIRMLJSDA-HNNXBMFYSA-N 2 0 372.460 0.682 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292139 1210817379 /nfs/dbraw/zinc/81/73/79/1210817379.db2.gz RLCQLWDOHOLBJU-GJZGRUSLSA-N 2 0 372.460 0.538 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885290929 1210817385 /nfs/dbraw/zinc/81/73/85/1210817385.db2.gz JOTKGBDCKBBGNB-HNNXBMFYSA-N 2 0 374.476 0.928 20 0 FCADRP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCCOC1 ZINC000886904127 1210839468 /nfs/dbraw/zinc/83/94/68/1210839468.db2.gz PFBQHFSKDPZXLX-KURKYZTESA-N 2 0 371.522 0.491 20 0 FCADRP COC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCCOC1 ZINC000886904128 1210839737 /nfs/dbraw/zinc/83/97/37/1210839737.db2.gz PFBQHFSKDPZXLX-SQNIBIBYSA-N 2 0 371.522 0.491 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000887091202 1210847038 /nfs/dbraw/zinc/84/70/38/1210847038.db2.gz DDBHCHVSKAPWDH-JKSUJKDBSA-N 2 0 359.474 0.849 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887091487 1210847059 /nfs/dbraw/zinc/84/70/59/1210847059.db2.gz MCZMFKHXCPYRTM-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C2(C)CC[NH+](C)CC2)C3)CC1 ZINC001274083966 1210876031 /nfs/dbraw/zinc/87/60/31/1210876031.db2.gz OQVJMLJHEXTTIP-FOIQADDNSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001274097682 1210879655 /nfs/dbraw/zinc/87/96/55/1210879655.db2.gz GKEKXWGNAFBNQG-WRWLIDTKSA-N 2 0 360.502 0.387 20 0 FCADRP C[C@@H](C(=O)NC12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2)[NH+](C)C ZINC001274158450 1210900385 /nfs/dbraw/zinc/90/03/85/1210900385.db2.gz XEIBKELHDXDOMG-TZYSRNFLSA-N 2 0 362.478 0.372 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001274158474 1210900450 /nfs/dbraw/zinc/90/04/50/1210900450.db2.gz XUEBUBMLSPCBSW-HOCLYGCPSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2)[NH+](C)C ZINC001274161100 1210901090 /nfs/dbraw/zinc/90/10/90/1210901090.db2.gz JINXADJNLAFASO-HOCLYGCPSA-N 2 0 366.506 0.249 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180271 1210906427 /nfs/dbraw/zinc/90/64/27/1210906427.db2.gz VUNPVPXBTROLRO-DOTOQJQBSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001274204369 1210912533 /nfs/dbraw/zinc/91/25/33/1210912533.db2.gz UMQVCYWTAVMGTQ-CALCHBBNSA-N 2 0 361.490 0.537 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000890057772 1210962960 /nfs/dbraw/zinc/96/29/60/1210962960.db2.gz NIVYQMQUIVDDEX-SFHVURJKSA-N 2 0 373.501 0.930 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)CC1 ZINC001274370873 1211039228 /nfs/dbraw/zinc/03/92/28/1211039228.db2.gz SWGPQXWLUVZQQJ-ROUUACIJSA-N 2 0 360.506 0.196 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001274401229 1211045320 /nfs/dbraw/zinc/04/53/20/1211045320.db2.gz OUQFKWLXHODYJH-DLBZAZTESA-N 2 0 360.502 0.624 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CC[NH+]2CC3)CC1 ZINC001274952605 1211151308 /nfs/dbraw/zinc/15/13/08/1211151308.db2.gz GTAINHXTWRSQFM-YESZJQIVSA-N 2 0 360.502 0.767 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC2=O)COCC[N@H+](CC2CC2)C3)CC1 ZINC001275124512 1211176544 /nfs/dbraw/zinc/17/65/44/1211176544.db2.gz VXHWSMMVFJLQBZ-FQEVSTJZSA-N 2 0 364.534 0.585 20 0 FCADRP O=C1CC[C@H](C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)N1 ZINC001275149278 1211181685 /nfs/dbraw/zinc/18/16/85/1211181685.db2.gz WCMQIBPZHCMLMP-KDOFPFPSSA-N 2 0 359.430 0.003 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4nonc43)C2)OCC1=O ZINC001275180238 1211192698 /nfs/dbraw/zinc/19/26/98/1211192698.db2.gz XZBPMCOWWKIDFN-GOSISDBHSA-N 2 0 359.430 0.588 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2)[NH+](C)C ZINC001275219421 1211198521 /nfs/dbraw/zinc/19/85/21/1211198521.db2.gz HYTXINZWAGMRTR-IAGOWNOFSA-N 2 0 362.518 0.728 20 0 FCADRP O=C1C[C@]2(CCCN(Cc3ncccn3)C2)C(=O)N1CCn1ccnc1 ZINC001275428868 1211235060 /nfs/dbraw/zinc/23/50/60/1211235060.db2.gz DACRARAHAFTIRM-SFHVURJKSA-N 2 0 354.414 0.714 20 0 FCADRP CCc1nccc(CN2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275454433 1211240921 /nfs/dbraw/zinc/24/09/21/1211240921.db2.gz WXHROTPQIMTMGY-LJQANCHMSA-N 2 0 361.490 0.652 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CCCN2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511556 1211252306 /nfs/dbraw/zinc/25/23/06/1211252306.db2.gz KDYCEZYWXUVIRU-HNAYVOBHSA-N 2 0 369.506 0.829 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CCCN2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511553 1211252540 /nfs/dbraw/zinc/25/25/40/1211252540.db2.gz KDYCEZYWXUVIRU-BEFAXECRSA-N 2 0 369.506 0.829 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555920 1211255772 /nfs/dbraw/zinc/25/57/72/1211255772.db2.gz DTFRYERJBIQJDQ-IBGZPJMESA-N 2 0 364.490 0.305 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001275556658 1211256317 /nfs/dbraw/zinc/25/63/17/1211256317.db2.gz NMUZHBROUDIJHZ-HXUWFJFHSA-N 2 0 364.534 0.585 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C45CCC[NH+]4CCC5)(C2)C3)CC1 ZINC001275721826 1211274888 /nfs/dbraw/zinc/27/48/88/1211274888.db2.gz HWLCPHARWJQJGM-UHFFFAOYSA-N 2 0 360.502 0.864 20 0 FCADRP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737568 1211278752 /nfs/dbraw/zinc/27/87/52/1211278752.db2.gz LNRDOTCZKBRFMV-IFXJQAMLSA-N 2 0 365.474 0.779 20 0 FCADRP O=C1CC[C@H](CN2C(=O)C[C@]3(CCC[N@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736144 1211278859 /nfs/dbraw/zinc/27/88/59/1211278859.db2.gz CDXWWHFJQIKOKZ-BEFAXECRSA-N 2 0 362.474 0.106 20 0 FCADRP COC[C@H](C(=O)OC)N1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275737542 1211279005 /nfs/dbraw/zinc/27/90/05/1211279005.db2.gz LHFYFHQBECEODX-MRXNPFEDSA-N 2 0 367.490 0.489 20 0 FCADRP O=C1CC[C@@H](CN2CC3(CCC2=O)CC[NH+](CC2CC[NH2+]CC2)CC3)N1 ZINC001275738060 1211279179 /nfs/dbraw/zinc/27/91/79/1211279179.db2.gz SOQYFNXEIFOQAY-KRWDZBQOSA-N 2 0 362.518 0.969 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742132 1211279621 /nfs/dbraw/zinc/27/96/21/1211279621.db2.gz BBSFHEMVKBZQTQ-APWZRJJASA-N 2 0 366.506 0.286 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742134 1211279792 /nfs/dbraw/zinc/27/97/92/1211279792.db2.gz BBSFHEMVKBZQTQ-LPHOPBHVSA-N 2 0 366.506 0.286 20 0 FCADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800806 1211285602 /nfs/dbraw/zinc/28/56/02/1211285602.db2.gz HIJWHIPFGXBVSH-FGTMMUONSA-N 2 0 361.490 0.120 20 0 FCADRP C[NH+](C)CCN1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001275841768 1211296169 /nfs/dbraw/zinc/29/61/69/1211296169.db2.gz DGVHOCRMGXVOMP-HXUWFJFHSA-N 2 0 365.566 0.643 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877717 1211303696 /nfs/dbraw/zinc/30/36/96/1211303696.db2.gz FPEGFBBMFKTDJA-TXPKVOOTSA-N 2 0 367.490 0.441 20 0 FCADRP COCCOCN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275878821 1211306053 /nfs/dbraw/zinc/30/60/53/1211306053.db2.gz LYGKWEMZNWUHJF-IEBWSBKVSA-N 2 0 369.506 0.500 20 0 FCADRP CCNC(=O)CN1C[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275878830 1211306143 /nfs/dbraw/zinc/30/61/43/1211306143.db2.gz LYHFNENJEVUCSB-LJQANCHMSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001095438021 1211341329 /nfs/dbraw/zinc/34/13/29/1211341329.db2.gz UVGLBSFBOJAJNM-XABWRGDLSA-N 2 0 358.486 0.947 20 0 FCADRP COc1ccc([C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)[NH+](C)C)cc1OC ZINC000924438412 1211469195 /nfs/dbraw/zinc/46/91/95/1211469195.db2.gz ZCSUSYMNTMWIJY-KBPBESRZSA-N 2 0 364.446 0.789 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000924473119 1211470979 /nfs/dbraw/zinc/47/09/79/1211470979.db2.gz KXWWAQUVZKVRCC-QGZVFWFLSA-N 2 0 359.474 0.681 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000925442165 1211500302 /nfs/dbraw/zinc/50/03/02/1211500302.db2.gz XOBNAANLWYEFRR-KRWDZBQOSA-N 2 0 374.485 0.363 20 0 FCADRP c1ccc(N2CC[NH+](C3(CN[C@@H]4C[NH2+]CCOC4)CCOCC3)CC2)cc1 ZINC000925696537 1211506371 /nfs/dbraw/zinc/50/63/71/1211506371.db2.gz XZLKPYFWBXAIKK-LJQANCHMSA-N 2 0 374.529 0.936 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000926353047 1211537953 /nfs/dbraw/zinc/53/79/53/1211537953.db2.gz IEQAHHSBZIRTOD-QRVBRYPASA-N 2 0 370.497 0.774 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637981 1211576839 /nfs/dbraw/zinc/57/68/39/1211576839.db2.gz KGJOUUSWWHQMBJ-QGZVFWFLSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000927644389 1211579024 /nfs/dbraw/zinc/57/90/24/1211579024.db2.gz MURPIZSGBZEPBX-AEFFLSMTSA-N 2 0 366.506 0.603 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)[NH+]1CCCC1 ZINC000929178927 1211621134 /nfs/dbraw/zinc/62/11/34/1211621134.db2.gz BNYMWBNMIQITSJ-DOTOQJQBSA-N 2 0 374.485 0.769 20 0 FCADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001221408575 1225307816 /nfs/dbraw/zinc/30/78/16/1225307816.db2.gz ACUVECWFHUTZDT-SJORKVTESA-N 2 0 370.457 0.508 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000930958244 1211731720 /nfs/dbraw/zinc/73/17/20/1211731720.db2.gz LEFJQQVVMIFUOB-SJORKVTESA-N 2 0 359.474 0.897 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931485198 1211757518 /nfs/dbraw/zinc/75/75/18/1211757518.db2.gz AATPQGDWSSXATD-JKSUJKDBSA-N 2 0 369.506 0.565 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931654906 1211768753 /nfs/dbraw/zinc/76/87/53/1211768753.db2.gz TXCLTIYWDAVNGH-IYBDPMFKSA-N 2 0 358.486 0.915 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cncc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000931658233 1211769237 /nfs/dbraw/zinc/76/92/37/1211769237.db2.gz YJPVJZBDGWICFJ-HUUCEWRRSA-N 2 0 359.474 0.310 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)[C@@H](O)C2)CC[N@@H+]1C ZINC000968604233 1212042326 /nfs/dbraw/zinc/04/23/26/1212042326.db2.gz DDAAYNRZJIASOS-ZPUIDXCVSA-N 2 0 371.441 0.205 20 0 FCADRP O=C(NC[C@@H]1CCCCC[N@H+]1CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962357 1212202398 /nfs/dbraw/zinc/20/23/98/1212202398.db2.gz APFOUIBVXXRSSK-KSZLIROESA-N 2 0 369.506 0.219 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001111279880 1212224717 /nfs/dbraw/zinc/22/47/17/1212224717.db2.gz KGUBBVZSMTUVGN-QXSJWSMHSA-N 2 0 362.478 0.065 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007186136 1212418550 /nfs/dbraw/zinc/41/85/50/1212418550.db2.gz OBQSVBLOLBFAMZ-YRNRMSPPSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)CC[N@@H+]1C ZINC001007519820 1212516264 /nfs/dbraw/zinc/51/62/64/1212516264.db2.gz HIWNAIAEKPDRKX-WOYCLPQFSA-N 2 0 374.529 0.920 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001008358748 1212684229 /nfs/dbraw/zinc/68/42/29/1212684229.db2.gz XVKOCSZSRGMLCP-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)CC[N@@H+]1C ZINC001008361305 1212685037 /nfs/dbraw/zinc/68/50/37/1212685037.db2.gz AYBBBTQAHPRLEM-OAGGEKHMSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000954096318 1213039504 /nfs/dbraw/zinc/03/95/04/1213039504.db2.gz NJGUCLTUSLLLEV-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001007191449 1213040369 /nfs/dbraw/zinc/04/03/69/1213040369.db2.gz ZANUKHHQHANPME-ZWOKBUDYSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000957064697 1213241923 /nfs/dbraw/zinc/24/19/23/1213241923.db2.gz HEWNAHJREASLDK-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000957083018 1213247893 /nfs/dbraw/zinc/24/78/93/1213247893.db2.gz ADFHQQYBPMJLTG-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC000958860428 1213442979 /nfs/dbraw/zinc/44/29/79/1213442979.db2.gz QENNKHJGUFQROA-BIVLZKPYSA-N 2 0 368.522 0.087 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000959655162 1213485937 /nfs/dbraw/zinc/48/59/37/1213485937.db2.gz RSHHEBBAMZAGPP-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(=O)[nH]c(C5CC5)n4)C[C@H]32)CC[N@@H+]1C ZINC000959970091 1213566446 /nfs/dbraw/zinc/56/64/46/1213566446.db2.gz ZHESTMNERNOAFV-WDPJMHHHSA-N 2 0 371.485 0.946 20 0 FCADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)ncn1 ZINC000960048455 1213595139 /nfs/dbraw/zinc/59/51/39/1213595139.db2.gz ZGQHKDCRZNCZKN-BPQIPLTHSA-N 2 0 361.490 0.975 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011208776 1213849249 /nfs/dbraw/zinc/84/92/49/1213849249.db2.gz OHGIXAZUHJUZCY-FGTMMUONSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827969 1213849486 /nfs/dbraw/zinc/84/94/86/1213849486.db2.gz CPCOYPPEQAZORA-XLIONFOSSA-N 2 0 358.486 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC[N@@H+]1C ZINC001011209900 1213849983 /nfs/dbraw/zinc/84/99/83/1213849983.db2.gz YUTMVQKRBFYTHL-RHSMWYFYSA-N 2 0 355.442 0.959 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCn2cncn2)CC3)CC[N@@H+]1C ZINC001016631114 1214025080 /nfs/dbraw/zinc/02/50/80/1214025080.db2.gz NIPAVDKFDHNSPF-GVDBMIGSSA-N 2 0 360.506 0.979 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000419369914 1214164785 /nfs/dbraw/zinc/16/47/85/1214164785.db2.gz GHCCQXWSKPGINB-FQEVSTJZSA-N 2 0 370.497 0.556 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)CC[N@@H+]1C ZINC000961665488 1214261448 /nfs/dbraw/zinc/26/14/48/1214261448.db2.gz UOWIGHVBIVVYPE-NRSFXHEJSA-N 2 0 362.518 0.585 20 0 FCADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020166070 1214315145 /nfs/dbraw/zinc/31/51/45/1214315145.db2.gz NOKIOUNBIUJWJF-HHARLNAUSA-N 2 0 366.506 0.234 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C[C@H]21 ZINC001221947084 1225546618 /nfs/dbraw/zinc/54/66/18/1225546618.db2.gz QUCJKMGYPKALBO-RTBURBONSA-N 2 0 361.486 0.790 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221946985 1225546671 /nfs/dbraw/zinc/54/66/71/1225546671.db2.gz LRTRGZZPLHLOIY-IAGOWNOFSA-N 2 0 364.494 0.006 20 0 FCADRP COc1cccc(CN2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947019 1225546344 /nfs/dbraw/zinc/54/63/44/1225546344.db2.gz NSGQJWFMCBIHGA-NVXWUHKLSA-N 2 0 362.474 0.701 20 0 FCADRP CCC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946780 1225546785 /nfs/dbraw/zinc/54/67/85/1225546785.db2.gz BSRQGRNFCHVKCR-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)ccc2c[nH+]cn21 ZINC000963525124 1214817726 /nfs/dbraw/zinc/81/77/26/1214817726.db2.gz GTCAIDYXWUIGFS-SJORKVTESA-N 2 0 371.441 0.040 20 0 FCADRP CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000963829710 1214859873 /nfs/dbraw/zinc/85/98/73/1214859873.db2.gz CYHIICGKXZTFER-DDFPFOKPSA-N 2 0 362.518 0.964 20 0 FCADRP O=C(NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000964016578 1214887298 /nfs/dbraw/zinc/88/72/98/1214887298.db2.gz LUJOMFBAYMPDKQ-MSDCIPNDSA-N 2 0 371.441 0.335 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000964211570 1214914678 /nfs/dbraw/zinc/91/46/78/1214914678.db2.gz KIAPWUDATMIHKM-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001222046465 1225589370 /nfs/dbraw/zinc/58/93/70/1225589370.db2.gz FFPJBLGYHXEPPZ-IAGOWNOFSA-N 2 0 363.506 0.420 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]21 ZINC001222051486 1225590441 /nfs/dbraw/zinc/59/04/41/1225590441.db2.gz YJQPXBXVLXBCAY-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049729 1225590967 /nfs/dbraw/zinc/59/09/67/1225590967.db2.gz JESOSILFMYLBDG-RRFJBIMHSA-N 2 0 367.494 0.094 20 0 FCADRP O=C1NCC[C@@]12C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520592 1225630689 /nfs/dbraw/zinc/63/06/89/1225630689.db2.gz HNNWLKNUYDCSMB-OAQYLSRUSA-N 3 0 369.513 0.003 20 0 FCADRP O=C1NCC[C@@]12C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001222521782 1225630816 /nfs/dbraw/zinc/63/08/16/1225630816.db2.gz ZNGJBOMFSIILSX-HXUWFJFHSA-N 3 0 355.486 0.008 20 0 FCADRP O=C1NCC[C@]12C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520591 1225630939 /nfs/dbraw/zinc/63/09/39/1225630939.db2.gz HNNWLKNUYDCSMB-NRFANRHFSA-N 3 0 369.513 0.003 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001000700431 1216107911 /nfs/dbraw/zinc/10/79/11/1216107911.db2.gz QFMIQFPGQMKFBJ-KBAYOESNSA-N 2 0 361.490 0.333 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001001417861 1216192709 /nfs/dbraw/zinc/19/27/09/1216192709.db2.gz GUUHXEIQLUXFNP-BPQIPLTHSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001050050268 1216272708 /nfs/dbraw/zinc/27/27/08/1216272708.db2.gz ACFYJLAIKWAUIP-YYIAUSFCSA-N 2 0 363.506 0.275 20 0 FCADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329256 1216308311 /nfs/dbraw/zinc/30/83/11/1216308311.db2.gz PVJVRDVURIKXPY-OXGONZEZSA-N 2 0 363.510 0.876 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001050328783 1216308684 /nfs/dbraw/zinc/30/86/84/1216308684.db2.gz LOQAHKWNAAUAQN-OXGONZEZSA-N 2 0 364.490 0.396 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]21 ZINC001222893370 1225663176 /nfs/dbraw/zinc/66/31/76/1225663176.db2.gz YFVGTVAFTDZHDG-SQNIBIBYSA-N 2 0 363.506 0.773 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968738 1225670916 /nfs/dbraw/zinc/67/09/16/1225670916.db2.gz RPVJMGTWDSHWBH-KURKYZTESA-N 2 0 365.518 0.793 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC001051625097 1216469539 /nfs/dbraw/zinc/46/95/39/1216469539.db2.gz XKALZJFBDNXLJL-OKZBNKHCSA-N 2 0 361.490 0.832 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000827321545 1216586680 /nfs/dbraw/zinc/58/66/80/1216586680.db2.gz QEQKIBYBJLMFEN-WBVHZDCISA-N 2 0 366.506 0.347 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151848 1225684064 /nfs/dbraw/zinc/68/40/64/1225684064.db2.gz XSVVXKPSOVUIFS-QGRXYFRJSA-N 2 0 363.502 0.809 20 0 FCADRP CC(=O)NCCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223250204 1225694339 /nfs/dbraw/zinc/69/43/39/1225694339.db2.gz URZZVTQMRMAXFS-CRAIPNDOSA-N 2 0 368.522 0.308 20 0 FCADRP COC(=O)CC[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276882636 1225699600 /nfs/dbraw/zinc/69/96/00/1225699600.db2.gz OHPKRXGDEDZNRO-IBGZPJMESA-N 2 0 366.506 0.254 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979448 1216881231 /nfs/dbraw/zinc/88/12/31/1216881231.db2.gz HMUINZIYKAJBGQ-XKQJLSEDSA-N 2 0 369.429 0.616 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223387582 1225702055 /nfs/dbraw/zinc/70/20/55/1225702055.db2.gz HGRQIHVZMRXNGD-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070033400 1216910761 /nfs/dbraw/zinc/91/07/61/1216910761.db2.gz WRXSCVCGBITCCC-HCXYKTFWSA-N 2 0 368.485 0.985 20 0 FCADRP CCOC(=O)CCCCN1CC2(C1)COCC(=O)N2CCn1ccnc1 ZINC001276888759 1225704547 /nfs/dbraw/zinc/70/45/47/1225704547.db2.gz IZDLRAAPLXCGKK-UHFFFAOYSA-N 2 0 364.446 0.530 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223912445 1225745339 /nfs/dbraw/zinc/74/53/39/1225745339.db2.gz UVWIUBRXWQDMMM-WBVHZDCISA-N 2 0 366.506 0.108 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223916772 1225745875 /nfs/dbraw/zinc/74/58/75/1225745875.db2.gz QCDGDFXQECKEGX-WBVHZDCISA-N 2 0 366.506 0.014 20 0 FCADRP Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)ncn1 ZINC001223916988 1225746711 /nfs/dbraw/zinc/74/67/11/1225746711.db2.gz YFYJQXDHFAFFRC-AEFFLSMTSA-N 2 0 361.490 0.786 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130613 1225759712 /nfs/dbraw/zinc/75/97/12/1225759712.db2.gz SQCNNWKEEWOBKF-KURKYZTESA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224131056 1225760386 /nfs/dbraw/zinc/76/03/86/1225760386.db2.gz VIBHCLUJOJJVJM-SJORKVTESA-N 2 0 365.522 0.713 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246081 1225767518 /nfs/dbraw/zinc/76/75/18/1225767518.db2.gz UEASENZNZJVJPE-KURKYZTESA-N 2 0 371.522 0.273 20 0 FCADRP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245763 1225767664 /nfs/dbraw/zinc/76/76/64/1225767664.db2.gz CQTYKOQKTQCSGU-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000900056931 1217958098 /nfs/dbraw/zinc/95/80/98/1217958098.db2.gz AOORJTQYNYWLDO-YLJYHZDGSA-N 2 0 374.485 0.661 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000900225711 1217972797 /nfs/dbraw/zinc/97/27/97/1217972797.db2.gz SZVAMLFZEKYPKA-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000900693456 1218025319 /nfs/dbraw/zinc/02/53/19/1218025319.db2.gz SQRZCAGQKBRPEB-LMDPOFIKSA-N 2 0 366.550 0.877 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000900724698 1218030158 /nfs/dbraw/zinc/03/01/58/1218030158.db2.gz AYCMDGPKEQCWFR-LJQANCHMSA-N 2 0 365.566 0.641 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001277041072 1225810166 /nfs/dbraw/zinc/81/01/66/1225810166.db2.gz DGPCUWCEPJIFOQ-LJQANCHMSA-N 2 0 357.458 0.699 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001048977040 1218356910 /nfs/dbraw/zinc/35/69/10/1218356910.db2.gz LQLVKKHWHTYTHU-YVSFHVDLSA-N 2 0 368.522 0.087 20 0 FCADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1O)[NH+](C)C ZINC001049027322 1218366696 /nfs/dbraw/zinc/36/66/96/1218366696.db2.gz JTESJZHYLZGWEN-BIVLZKPYSA-N 2 0 368.522 0.087 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075263 1218378608 /nfs/dbraw/zinc/37/86/08/1218378608.db2.gz NGSDFXCRISMZJR-FTWQHDNSSA-N 2 0 370.497 0.596 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000803564426 1218437800 /nfs/dbraw/zinc/43/78/00/1218437800.db2.gz MAROCLHOAKDLJL-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756280 1218516775 /nfs/dbraw/zinc/51/67/75/1218516775.db2.gz PTIZHXSUVUHZRW-CVEARBPZSA-N 2 0 371.489 0.794 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000903778262 1218523732 /nfs/dbraw/zinc/52/37/32/1218523732.db2.gz JZCOPPXCGZNPQK-MRXNPFEDSA-N 2 0 359.474 0.623 20 0 FCADRP O=C(CCc1ncc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001225969923 1225829508 /nfs/dbraw/zinc/82/95/08/1225829508.db2.gz UVXRPVDCJKYXED-ZIAGYGMSSA-N 2 0 361.446 0.508 20 0 FCADRP C(C[NH+]1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000903972079 1218576429 /nfs/dbraw/zinc/57/64/29/1218576429.db2.gz GOZPTJXVPAYOOK-IBGZPJMESA-N 2 0 366.550 0.531 20 0 FCADRP NC(=O)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903979969 1218578869 /nfs/dbraw/zinc/57/88/69/1218578869.db2.gz ALJOBNMZERUEGP-HDICACEKSA-N 2 0 358.486 0.951 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2)NCC1CC1 ZINC001226297676 1225839320 /nfs/dbraw/zinc/83/93/20/1225839320.db2.gz XPSPCRHACKPETG-RCCFBDPRSA-N 2 0 362.518 0.871 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226334662 1225840515 /nfs/dbraw/zinc/84/05/15/1225840515.db2.gz XRGSJYQQUJHTOA-VDHUWJSZSA-N 2 0 368.522 0.496 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001226773007 1225854265 /nfs/dbraw/zinc/85/42/65/1225854265.db2.gz BKCPCGBKAVZYMV-ZACQAIPSSA-N 2 0 366.506 0.393 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000826882999 1218910126 /nfs/dbraw/zinc/91/01/26/1218910126.db2.gz QSCQGLHKBRKOLL-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP COC[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583614 1219087874 /nfs/dbraw/zinc/08/78/74/1219087874.db2.gz VDPVPJJUYZDVCV-ZMSDIMECSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccon3)CC2)CC[N@@H+]1C ZINC001055583395 1219087974 /nfs/dbraw/zinc/08/79/74/1219087974.db2.gz MDFFDDQXEGQKFN-UKRRQHHQSA-N 2 0 363.462 0.325 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001055583526 1219088072 /nfs/dbraw/zinc/08/80/72/1219088072.db2.gz REXSOPQTCHJHIG-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP COCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583245 1219088604 /nfs/dbraw/zinc/08/86/04/1219088604.db2.gz FTORIOINSSBQPT-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055594509 1219094190 /nfs/dbraw/zinc/09/41/90/1219094190.db2.gz KEPKKYQUEHOHKV-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804051100 1219103502 /nfs/dbraw/zinc/10/35/02/1219103502.db2.gz NEDUCXRAWAHLAT-LTIDMASMSA-N 2 0 364.490 0.051 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804055944 1219109356 /nfs/dbraw/zinc/10/93/56/1219109356.db2.gz PTHGOYWYVLQNDW-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804057450 1219110464 /nfs/dbraw/zinc/11/04/64/1219110464.db2.gz PQRRJDAGEDFUHW-HZPDHXFCSA-N 2 0 363.462 0.067 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H]1C ZINC000804057584 1219110693 /nfs/dbraw/zinc/11/06/93/1219110693.db2.gz AZRMTDACWDJKNX-LTIDMASMSA-N 2 0 366.506 0.297 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804057590 1219110771 /nfs/dbraw/zinc/11/07/71/1219110771.db2.gz AZRMTDACWDJKNX-MWDXBVQZSA-N 2 0 366.506 0.297 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000804058954 1219111988 /nfs/dbraw/zinc/11/19/88/1219111988.db2.gz HAVPZHMLZFKBSI-JKSUJKDBSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059894 1219113868 /nfs/dbraw/zinc/11/38/68/1219113868.db2.gz ONKOTVHTCMTIMF-NCOADZHNSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804059713 1219114392 /nfs/dbraw/zinc/11/43/92/1219114392.db2.gz JYZBCFNQMOUFFB-IXDOHACOSA-N 2 0 364.490 0.053 20 0 FCADRP CC1CC(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)C1 ZINC001070078079 1219147335 /nfs/dbraw/zinc/14/73/35/1219147335.db2.gz USEGWTBWTQMOAK-BACDZXNISA-N 2 0 358.490 0.762 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097133 1219167476 /nfs/dbraw/zinc/16/74/76/1219167476.db2.gz DHOVFVJGDDBYIB-KURKYZTESA-N 2 0 354.458 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[NH+]3C)CCOCC2)CC[N@@H+]1C ZINC001070132794 1219207169 /nfs/dbraw/zinc/20/71/69/1219207169.db2.gz SMJQFAMFLHOBEL-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070132897 1219208531 /nfs/dbraw/zinc/20/85/31/1219208531.db2.gz XBYIHOSZCNZPKC-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCOCC2)CC[N@@H+]1C ZINC001070133653 1219209152 /nfs/dbraw/zinc/20/91/52/1219209152.db2.gz JMCPWKXHDLDRTL-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)ccc2c[nH+]cn21 ZINC001070224241 1219304840 /nfs/dbraw/zinc/30/48/40/1219304840.db2.gz URXVEZIHARAJEF-VUCTXSBTSA-N 2 0 369.429 0.270 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070275511 1219342285 /nfs/dbraw/zinc/34/22/85/1219342285.db2.gz PTGSWHDWCARGJV-JQHSSLGASA-N 2 0 369.473 0.557 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)cc1 ZINC001070296707 1219356335 /nfs/dbraw/zinc/35/63/35/1219356335.db2.gz ZVJFFEMIAHOWCE-SJORKVTESA-N 2 0 360.437 0.965 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)[C@@H](n3ccnn3)C2)C1 ZINC001070327007 1219377158 /nfs/dbraw/zinc/37/71/58/1219377158.db2.gz NOQJPIWQQFEYCR-KFWWJZLASA-N 2 0 368.432 0.617 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCC1 ZINC001070332445 1219382364 /nfs/dbraw/zinc/38/23/64/1219382364.db2.gz FDQHWFULMDHPSJ-IKGGRYGDSA-N 2 0 364.494 0.122 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001070354773 1219393272 /nfs/dbraw/zinc/39/32/72/1219393272.db2.gz VAVDXPRUCIAMHH-ZNMIVQPWSA-N 2 0 364.494 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)CC[N@@H+]1C ZINC001070371737 1219401773 /nfs/dbraw/zinc/40/17/73/1219401773.db2.gz GRDIOPJNLAFXKJ-IIVZCXTMSA-N 2 0 368.497 0.772 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCCO)C2)CC[N@@H+]1C ZINC001070411199 1219409028 /nfs/dbraw/zinc/40/90/28/1219409028.db2.gz GIPLSPNZTIDVIP-BHYGNILZSA-N 2 0 363.506 0.928 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070475221 1219426257 /nfs/dbraw/zinc/42/62/57/1219426257.db2.gz IXTRJOAJFLGOSX-JQHSSLGASA-N 2 0 371.489 0.295 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2[NH2+]CCF)c1 ZINC001070550822 1219465133 /nfs/dbraw/zinc/46/51/33/1219465133.db2.gz LGEROQWLIUVLOH-DOTOQJQBSA-N 2 0 367.469 0.384 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)CC1 ZINC001070550657 1219465154 /nfs/dbraw/zinc/46/51/54/1219465154.db2.gz ARYTYAZMLYFCRF-FUHWJXTLSA-N 2 0 363.506 0.417 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001070567853 1219473364 /nfs/dbraw/zinc/47/33/64/1219473364.db2.gz KVNOIYXEUVVSAH-SOLBZPMBSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2c2cncn2C)cn1 ZINC001070629155 1219493691 /nfs/dbraw/zinc/49/36/91/1219493691.db2.gz BKVALLQWXMTTRS-BRWVUGGUSA-N 2 0 371.489 0.332 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277273670 1225898117 /nfs/dbraw/zinc/89/81/17/1225898117.db2.gz BPZZMGPLSZHLLG-IRXDYDNUSA-N 2 0 362.518 0.870 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCO ZINC001070671323 1219517971 /nfs/dbraw/zinc/51/79/71/1219517971.db2.gz IFFGNQIOVLHADF-JFIYKMOQSA-N 2 0 361.490 0.171 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070718968 1219541640 /nfs/dbraw/zinc/54/16/40/1219541640.db2.gz MZGFVSXQQSDIDM-USXIJHARSA-N 2 0 371.489 0.190 20 0 FCADRP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924334 1219581149 /nfs/dbraw/zinc/58/11/49/1219581149.db2.gz KYULFKFFDRLBPQ-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071099245 1219607104 /nfs/dbraw/zinc/60/71/04/1219607104.db2.gz XDWUDUMHLHUQAA-AEFFLSMTSA-N 2 0 362.474 0.739 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228333271 1225911436 /nfs/dbraw/zinc/91/14/36/1225911436.db2.gz AFJUWMZBGDDIJD-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074603545 1219702080 /nfs/dbraw/zinc/70/20/80/1219702080.db2.gz NUKUSPAVVZWKRJ-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC001228355876 1225914416 /nfs/dbraw/zinc/91/44/16/1225914416.db2.gz VFTXOBOGVUUMEQ-CGTJXYLNSA-N 2 0 371.522 0.512 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355707 1225914816 /nfs/dbraw/zinc/91/48/16/1225914816.db2.gz RXUFLTLAMCMGCX-BRWVUGGUSA-N 2 0 370.538 0.886 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001098842278 1219839008 /nfs/dbraw/zinc/83/90/08/1219839008.db2.gz ZMVAFBXGASNYIS-SCTDSRPQSA-N 2 0 358.490 0.591 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CC1 ZINC001099010545 1219888346 /nfs/dbraw/zinc/88/83/46/1219888346.db2.gz HYLYNUPWYXQEMX-KHYOSLBOSA-N 2 0 362.474 0.104 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160855 1219936704 /nfs/dbraw/zinc/93/67/04/1219936704.db2.gz URMSBZVLJREEKQ-LNLFQRSKSA-N 2 0 360.506 0.817 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001228529881 1225931532 /nfs/dbraw/zinc/93/15/32/1225931532.db2.gz XZGVWGHQUPJCQJ-QJPTWQEYSA-N 2 0 362.434 0.042 20 0 FCADRP O=C(CCc1c[nH]cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099261017 1219958744 /nfs/dbraw/zinc/95/87/44/1219958744.db2.gz GLNVJRDEPOORNK-CHWSQXEVSA-N 2 0 371.367 0.613 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc4ncccc4[nH]3)C2)OCC1=O ZINC001277312662 1225935542 /nfs/dbraw/zinc/93/55/42/1225935542.db2.gz LCNYOIYKNSOFMN-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001099488110 1220012960 /nfs/dbraw/zinc/01/29/60/1220012960.db2.gz KRBUUYZHLZRKQG-LPHOPBHVSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)C1 ZINC001099496088 1220014374 /nfs/dbraw/zinc/01/43/74/1220014374.db2.gz ADSDOBLKQUEPMO-MPGHIAIKSA-N 2 0 361.494 0.270 20 0 FCADRP CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1=O ZINC001099538537 1220027092 /nfs/dbraw/zinc/02/70/92/1220027092.db2.gz SKABJXLMNPWJEH-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623940 1225937401 /nfs/dbraw/zinc/93/74/01/1225937401.db2.gz NRUJWPARFXGVOW-ZIAGYGMSSA-N 2 0 369.510 0.437 20 0 FCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101316994 1220284401 /nfs/dbraw/zinc/28/44/01/1220284401.db2.gz BBHWAWKVHBFFKT-FCEWJHQRSA-N 2 0 361.490 0.968 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101340763 1220294440 /nfs/dbraw/zinc/29/44/40/1220294440.db2.gz UNJKEUDVSVVISP-APWZRJJASA-N 2 0 365.474 0.744 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101342818 1220295634 /nfs/dbraw/zinc/29/56/34/1220295634.db2.gz NZOLQQPPCZWHHX-BEFAXECRSA-N 2 0 364.490 0.258 20 0 FCADRP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432724 1220342744 /nfs/dbraw/zinc/34/27/44/1220342744.db2.gz YEMAWLHPEILZEE-FCEWJHQRSA-N 2 0 368.522 0.260 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3cncn3C)C[C@]2(C)C1 ZINC001101448620 1220351499 /nfs/dbraw/zinc/35/14/99/1220351499.db2.gz DVBHFJPRJDSOJZ-APWZRJJASA-N 2 0 364.490 0.796 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001101474423 1220366952 /nfs/dbraw/zinc/36/69/52/1220366952.db2.gz YLWPUKXKVVIEEE-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819556 1220409368 /nfs/dbraw/zinc/40/93/68/1220409368.db2.gz MUYBQWATYYHRBB-INMHGKMJSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486832 1220650041 /nfs/dbraw/zinc/65/00/41/1220650041.db2.gz WXKFVPCXVDQALO-OWCLPIDISA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486736 1220650523 /nfs/dbraw/zinc/65/05/23/1220650523.db2.gz SKTLJEPPNXLPKI-INMHGKMJSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488754 1220652407 /nfs/dbraw/zinc/65/24/07/1220652407.db2.gz HEEYDDDVCGWXNC-HUUCEWRRSA-N 2 0 364.494 0.110 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513521 1220672513 /nfs/dbraw/zinc/67/25/13/1220672513.db2.gz OCKFQEILBPVTFD-HZPDHXFCSA-N 2 0 363.506 0.592 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515131 1220674864 /nfs/dbraw/zinc/67/48/64/1220674864.db2.gz FTHKKFOVGPRVKP-HUUCEWRRSA-N 2 0 361.490 0.924 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580584 1220702712 /nfs/dbraw/zinc/70/27/12/1220702712.db2.gz CWGCBCPNPRBZMN-BRWVUGGUSA-N 2 0 368.522 0.163 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001229229734 1225991235 /nfs/dbraw/zinc/99/12/35/1225991235.db2.gz CDMWZIPEDUSMSC-HUUCEWRRSA-N 2 0 367.494 0.333 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001103085351 1220831180 /nfs/dbraw/zinc/83/11/80/1220831180.db2.gz RILNDQBUVFUYKC-BFYDXBDKSA-N 2 0 366.506 0.189 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148390 1220840737 /nfs/dbraw/zinc/84/07/37/1220840737.db2.gz ZVNZQVWJCZXEML-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157757 1220841993 /nfs/dbraw/zinc/84/19/93/1220841993.db2.gz BBKPBYCWBKIHBV-HZSPNIEDSA-N 2 0 369.510 0.374 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375034 1220872830 /nfs/dbraw/zinc/87/28/30/1220872830.db2.gz WBIOXTMXPJNREL-KFWWJZLASA-N 2 0 364.490 0.208 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584550 1220908217 /nfs/dbraw/zinc/90/82/17/1220908217.db2.gz ZFECXGTXPTUIGG-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001103643793 1220926244 /nfs/dbraw/zinc/92/62/44/1220926244.db2.gz QMTQCTLKYUWEFE-ZACQAIPSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103647812 1220927025 /nfs/dbraw/zinc/92/70/25/1220927025.db2.gz FALCCWVDFBTBHG-CKEIUWERSA-N 2 0 359.474 0.724 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647101 1220927452 /nfs/dbraw/zinc/92/74/52/1220927452.db2.gz UOCOCVNBRUFNDD-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103662731 1220932358 /nfs/dbraw/zinc/93/23/58/1220932358.db2.gz NRUDFXXOGURZRP-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757211 1220965632 /nfs/dbraw/zinc/96/56/32/1220965632.db2.gz QSGACVMRYBSMJF-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999557 1220996647 /nfs/dbraw/zinc/99/66/47/1220996647.db2.gz CNEAOHQYOMWBJK-ZACQAIPSSA-N 2 0 367.538 0.862 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202916 1221020886 /nfs/dbraw/zinc/02/08/86/1221020886.db2.gz VXEWUHLRHLIFCX-KBAYOESNSA-N 2 0 364.534 0.927 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811865 1221123370 /nfs/dbraw/zinc/12/33/70/1221123370.db2.gz UEGSZNMMEPANKK-UDHYTOICSA-N 2 0 363.502 0.857 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCNC(=O)C2CC2)C3)CC1 ZINC001111860099 1221139559 /nfs/dbraw/zinc/13/95/59/1221139559.db2.gz PWRSHQRXWRYPBS-PXNSSMCTSA-N 2 0 362.518 0.825 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001111907442 1221160909 /nfs/dbraw/zinc/16/09/09/1221160909.db2.gz AHYZZENWUMOFAH-SCTDSRPQSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@@H]1CN(C)C(=O)CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000782564179 1221171080 /nfs/dbraw/zinc/17/10/80/1221171080.db2.gz XLXOMJURAXKJKB-MRXNPFEDSA-N 2 0 374.489 0.466 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)Nc1ccon1)C2 ZINC001111949999 1221182209 /nfs/dbraw/zinc/18/22/09/1221182209.db2.gz ZAPRYJMBZMCNJU-KSSFIOAISA-N 2 0 363.462 0.926 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001111949370 1221182299 /nfs/dbraw/zinc/18/22/99/1221182299.db2.gz AUYDPFBUEXAYJW-SCTDSRPQSA-N 2 0 363.506 0.557 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)COCCOC)C2 ZINC001111952473 1221183030 /nfs/dbraw/zinc/18/30/30/1221183030.db2.gz JJFDTYGKHVBPBJ-LNLFQRSKSA-N 2 0 371.522 0.323 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983129 1221192792 /nfs/dbraw/zinc/19/27/92/1221192792.db2.gz CJPIVCSSSRWUFL-LNLFQRSKSA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112425219 1221257203 /nfs/dbraw/zinc/25/72/03/1221257203.db2.gz CARWWHHFCXBTNC-PXNSSMCTSA-N 2 0 367.534 0.946 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112428076 1221257858 /nfs/dbraw/zinc/25/78/58/1221257858.db2.gz AIISVMGHTCYUOY-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112429349 1221257909 /nfs/dbraw/zinc/25/79/09/1221257909.db2.gz XBOYAIUHGCOMHF-LNLFQRSKSA-N 2 0 360.506 0.981 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692896 1226028127 /nfs/dbraw/zinc/02/81/27/1226028127.db2.gz MFPQXESLIZCRJG-RCCFBDPRSA-N 2 0 368.522 0.498 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711100 1226029827 /nfs/dbraw/zinc/02/98/27/1226029827.db2.gz VVVMGLXXWAGHAG-HZPDHXFCSA-N 2 0 370.538 0.886 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543493 1221312789 /nfs/dbraw/zinc/31/27/89/1221312789.db2.gz LHGTZLHZSFYULJ-ZIAGYGMSSA-N 2 0 367.494 0.191 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001116075520 1221333861 /nfs/dbraw/zinc/33/38/61/1221333861.db2.gz AUOHCHUKNIQFLL-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229837713 1226036664 /nfs/dbraw/zinc/03/66/64/1226036664.db2.gz OPPYSXUBRDYFSU-RRFJBIMHSA-N 2 0 369.510 0.579 20 0 FCADRP COc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OCC(N)=O ZINC001116908898 1221402337 /nfs/dbraw/zinc/40/23/37/1221402337.db2.gz UVWRPOABGBOTOF-UHFFFAOYSA-N 2 0 364.490 0.675 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001117175807 1221489084 /nfs/dbraw/zinc/48/90/84/1221489084.db2.gz XJJCAWFDMGYBHT-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C ZINC001230149432 1226057709 /nfs/dbraw/zinc/05/77/09/1226057709.db2.gz JKBMAIZBOJHYIS-CGTJXYLNSA-N 2 0 363.506 0.905 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001117956489 1221667170 /nfs/dbraw/zinc/66/71/70/1221667170.db2.gz YTLGZUUKORZZGM-JKSUJKDBSA-N 2 0 373.501 0.894 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001118216960 1221735540 /nfs/dbraw/zinc/73/55/40/1221735540.db2.gz SSBLRCQQXNJELI-KRWDZBQOSA-N 2 0 373.501 0.313 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cn1 ZINC001118330146 1221760982 /nfs/dbraw/zinc/76/09/82/1221760982.db2.gz GDFZGGFZKMNHHI-ZDUSSCGKSA-N 2 0 371.445 0.233 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001230284501 1226071671 /nfs/dbraw/zinc/07/16/71/1226071671.db2.gz IHOVMBNAAMFZNU-BRWVUGGUSA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001230279406 1226070729 /nfs/dbraw/zinc/07/07/29/1226070729.db2.gz ASVGBTMEJFTBOA-IAGOWNOFSA-N 2 0 368.522 0.639 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118571488 1221801903 /nfs/dbraw/zinc/80/19/03/1221801903.db2.gz DMBBYFGARBLQGZ-HZPDHXFCSA-N 2 0 362.478 0.576 20 0 FCADRP CONC(=O)C1CC[NH+](CC[C@@H](C)[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001119323962 1221899612 /nfs/dbraw/zinc/89/96/12/1221899612.db2.gz MNIVZGDRUPLCLK-CQSZACIVSA-N 2 0 370.494 0.544 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362154 1221906217 /nfs/dbraw/zinc/90/62/17/1221906217.db2.gz ILOFBILMSSLPCP-FUHWJXTLSA-N 2 0 360.502 0.987 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC001119368089 1221907252 /nfs/dbraw/zinc/90/72/52/1221907252.db2.gz HJBWXGUBBOGSMW-DLBZAZTESA-N 2 0 360.458 0.426 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001119403554 1221912272 /nfs/dbraw/zinc/91/22/72/1221912272.db2.gz YTLIUCXADSFVSK-IYBDPMFKSA-N 2 0 366.506 0.239 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119423645 1221916217 /nfs/dbraw/zinc/91/62/17/1221916217.db2.gz BBTOILXRIYWXLV-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001119711427 1221955271 /nfs/dbraw/zinc/95/52/71/1221955271.db2.gz LQFYTLPLQGPLRD-HNNXBMFYSA-N 2 0 359.474 0.635 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C1)C2 ZINC001120584637 1222106469 /nfs/dbraw/zinc/10/64/69/1222106469.db2.gz PUKULKPIIRCFPB-QHQILCNVSA-N 2 0 363.506 0.546 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001121927141 1222225429 /nfs/dbraw/zinc/22/54/29/1222225429.db2.gz VTLBFYUROWDLLV-HXUWFJFHSA-N 2 0 360.502 0.425 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123632003 1222345231 /nfs/dbraw/zinc/34/52/31/1222345231.db2.gz XBVJODOCLNJBNR-RANZSIQMSA-N 2 0 367.538 0.298 20 0 FCADRP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123695605 1222351547 /nfs/dbraw/zinc/35/15/47/1222351547.db2.gz UXMFGXVADWMSLV-AEFFLSMTSA-N 2 0 367.538 0.375 20 0 FCADRP CN(C)c1ncc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001138349853 1222502399 /nfs/dbraw/zinc/50/23/99/1222502399.db2.gz JLSKKMLMULHQAH-UHFFFAOYSA-N 2 0 370.501 0.867 20 0 FCADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204244 1222560076 /nfs/dbraw/zinc/56/00/76/1222560076.db2.gz OQMCNRSLERTQOX-KRWDZBQOSA-N 2 0 372.517 0.767 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210424 1222636576 /nfs/dbraw/zinc/63/65/76/1222636576.db2.gz VBHAGIMRVDWJDM-INIZCTEOSA-N 2 0 368.522 0.483 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151988 1222810115 /nfs/dbraw/zinc/81/01/15/1222810115.db2.gz PDALQLZGBFKMRO-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000841161824 1222811057 /nfs/dbraw/zinc/81/10/57/1222811057.db2.gz VGZZXANLELYVFD-OAHLLOKOSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000841166393 1222811488 /nfs/dbraw/zinc/81/14/88/1222811488.db2.gz QIISIWGMHHRCDW-UHFFFAOYSA-N 2 0 359.474 0.635 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841846301 1222829908 /nfs/dbraw/zinc/82/99/08/1222829908.db2.gz GTVHEMXHZLFZDU-CJNGLKHVSA-N 2 0 374.441 0.402 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847285 1222830424 /nfs/dbraw/zinc/83/04/24/1222830424.db2.gz KFCQTQWRBMDNDJ-INIZCTEOSA-N 2 0 374.441 0.402 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926227 1222832017 /nfs/dbraw/zinc/83/20/17/1222832017.db2.gz CBOWTXHIGAPPJS-SFHVURJKSA-N 2 0 373.501 0.636 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCOC)[C@@H](C)C2)C1 ZINC000843244210 1222862102 /nfs/dbraw/zinc/86/21/02/1222862102.db2.gz MEOKMZIHCSJFFD-BBWFWOEESA-N 2 0 368.522 0.497 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCCCCC[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000843262085 1222867688 /nfs/dbraw/zinc/86/76/88/1222867688.db2.gz NBNXGAKJWBSYMI-IRXDYDNUSA-N 2 0 367.538 0.106 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363943 1222873475 /nfs/dbraw/zinc/87/34/75/1222873475.db2.gz WEBULVMHWLRKBG-UHFFFAOYSA-N 2 0 360.458 0.242 20 0 FCADRP CC[C@@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843377734 1222874777 /nfs/dbraw/zinc/87/47/77/1222874777.db2.gz UJUANZVCNVRNRX-ZIAGYGMSSA-N 2 0 365.478 0.722 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703916 1226164452 /nfs/dbraw/zinc/16/44/52/1226164452.db2.gz ISTWFYDJLQGVJX-PXNSSMCTSA-N 2 0 361.486 0.912 20 0 FCADRP CC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001277712743 1226169333 /nfs/dbraw/zinc/16/93/33/1226169333.db2.gz KXSHOTGLFVFTOE-QZTJIDSGSA-N 2 0 366.550 0.613 20 0 FCADRP N=C(N)N(CCCC[NH3+])C(=O)c1ccc2nnc(-c3cccnc3)n2c1 ZINC001156252572 1223052491 /nfs/dbraw/zinc/05/24/91/1223052491.db2.gz VQUBGCUUIKNQEX-UHFFFAOYSA-N 2 0 352.402 0.866 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ncnc2c1CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001157095048 1223067035 /nfs/dbraw/zinc/06/70/35/1223067035.db2.gz DSESIHFURLNZPA-ZDUSSCGKSA-N 2 0 374.470 0.117 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001157354615 1223075174 /nfs/dbraw/zinc/07/51/74/1223075174.db2.gz GXQUYBJGYDGKGR-SJORKVTESA-N 2 0 362.474 0.227 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157385741 1223075485 /nfs/dbraw/zinc/07/54/85/1223075485.db2.gz BDLWDBZSXMVDAE-IRXDYDNUSA-N 3 0 369.554 0.718 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1ccc2c(c1)COC(C)(C)O2 ZINC001157720406 1223080839 /nfs/dbraw/zinc/08/08/39/1223080839.db2.gz IMXJXNVRXVDILZ-CVEARBPZSA-N 2 0 363.458 0.648 20 0 FCADRP C[C@@H]1C(=O)Nc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc2N1C ZINC001157838205 1223082657 /nfs/dbraw/zinc/08/26/57/1223082657.db2.gz SDIPZTBPHCZBNV-CQSZACIVSA-N 2 0 373.505 0.717 20 0 FCADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001157847179 1223082786 /nfs/dbraw/zinc/08/27/86/1223082786.db2.gz KPSQXLOZWSLNTK-IOASZLSFSA-N 2 0 358.446 0.590 20 0 FCADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157850235 1223082795 /nfs/dbraw/zinc/08/27/95/1223082795.db2.gz XJUJMPGCLMTWRR-FZKCQIBNSA-N 2 0 368.522 0.706 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)CC1 ZINC001157837499 1223083084 /nfs/dbraw/zinc/08/30/84/1223083084.db2.gz CSXSRVGKDMJNEN-UHFFFAOYSA-N 3 0 359.522 0.350 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(COc2cccnc2)CC1 ZINC001157952603 1223084933 /nfs/dbraw/zinc/08/49/33/1223084933.db2.gz VACXSNSPLYLVNL-GOSISDBHSA-N 2 0 361.490 0.449 20 0 FCADRP [NH3+]Cc1ccc2ncn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)c2c1 ZINC001158009740 1223086877 /nfs/dbraw/zinc/08/68/77/1223086877.db2.gz YIDWQMAKAJOJSD-UHFFFAOYSA-N 2 0 351.414 0.714 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001158093098 1223088294 /nfs/dbraw/zinc/08/82/94/1223088294.db2.gz SIUKUHMNZISPKP-MRXNPFEDSA-N 2 0 370.457 0.734 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)c(C)c1 ZINC001158111060 1223088911 /nfs/dbraw/zinc/08/89/11/1223088911.db2.gz JVZPAJYQTGGSJQ-OXJNMPFZSA-N 2 0 356.470 0.111 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001158101860 1223088990 /nfs/dbraw/zinc/08/89/90/1223088990.db2.gz NFMYJEJASPIZBZ-FXAWDEMLSA-N 2 0 352.438 0.920 20 0 FCADRP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158102563 1223089158 /nfs/dbraw/zinc/08/91/58/1223089158.db2.gz UHZPBXSQRHWDSA-JXFKEZNVSA-N 2 0 374.485 0.424 20 0 FCADRP Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)C2)c1 ZINC001158102597 1223089272 /nfs/dbraw/zinc/08/92/72/1223089272.db2.gz UKMAEXJJKUXDBY-UWVAXJGDSA-N 2 0 356.470 0.206 20 0 FCADRP O=C([C@H]1C[NH2+]CCN1)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137816 1223089399 /nfs/dbraw/zinc/08/93/99/1223089399.db2.gz GWEXZQOUEOJCSW-RBUKOAKNSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120218 1223089459 /nfs/dbraw/zinc/08/94/59/1223089459.db2.gz KKQYTDBGNWYVAF-OXJNMPFZSA-N 2 0 354.454 0.029 20 0 FCADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001158256076 1223091548 /nfs/dbraw/zinc/09/15/48/1223091548.db2.gz CIZYGUSMBKPYGT-IAGOWNOFSA-N 2 0 364.490 0.913 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001158282066 1223094202 /nfs/dbraw/zinc/09/42/02/1223094202.db2.gz JUXCUOCIORRJCQ-AEFFLSMTSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001158428776 1223097491 /nfs/dbraw/zinc/09/74/91/1223097491.db2.gz RSFTWIWKZFQKST-UKRRQHHQSA-N 2 0 367.494 0.191 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001158495628 1223100132 /nfs/dbraw/zinc/10/01/32/1223100132.db2.gz AHSLUKRWXICTHM-LAIHZFQQSA-N 2 0 365.474 0.287 20 0 FCADRP O=C([C@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532392 1223101778 /nfs/dbraw/zinc/10/17/78/1223101778.db2.gz BILSDHHFXUGRKU-QCBUCWTNSA-N 2 0 371.485 0.114 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@]34C(=O)Nc3ccccc34)C[C@@H]2CF)CC1 ZINC001158566348 1223102465 /nfs/dbraw/zinc/10/24/65/1223102465.db2.gz BXJIMSLYCSCSIE-DTNKQSLVSA-N 2 0 372.444 0.631 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C[C@H]2CF)CC1 ZINC001158568404 1223102639 /nfs/dbraw/zinc/10/26/39/1223102639.db2.gz OZZNCSJMHJVRNL-RBSFLKMASA-N 2 0 361.465 0.670 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579858 1223102904 /nfs/dbraw/zinc/10/29/04/1223102904.db2.gz YOUSIPVQGNGUBN-OAGGEKHMSA-N 2 0 362.449 0.208 20 0 FCADRP C[NH+]1CCC(N(c2cncc(N3CC[NH2+]CC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158580974 1223103128 /nfs/dbraw/zinc/10/31/28/1223103128.db2.gz LDHFKKYXKJJPEZ-UHFFFAOYSA-N 3 0 359.522 0.539 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001158641598 1223103563 /nfs/dbraw/zinc/10/35/63/1223103563.db2.gz KEBBMXAPRVOXRF-KSSFIOAISA-N 2 0 361.446 0.339 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158644167 1223104020 /nfs/dbraw/zinc/10/40/20/1223104020.db2.gz ZLHJELYLFBVCNZ-DNVCBOLYSA-N 2 0 359.474 0.741 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158698967 1223105715 /nfs/dbraw/zinc/10/57/15/1223105715.db2.gz WDUKGRQUVZJAFB-OAHLLOKOSA-N 3 0 360.506 0.219 20 0 FCADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158842948 1223110931 /nfs/dbraw/zinc/11/09/31/1223110931.db2.gz PVSABTOGZQXOAX-CJNGLKHVSA-N 2 0 358.446 0.386 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158905422 1223112208 /nfs/dbraw/zinc/11/22/08/1223112208.db2.gz XBIFWVIKABKSTA-GLJUWKHASA-N 2 0 364.421 0.453 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159190068 1223120372 /nfs/dbraw/zinc/12/03/72/1223120372.db2.gz IHTQDXSGQIJQIP-AWEZNQCLSA-N 2 0 365.478 0.485 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CC1CCC1)CC2 ZINC001159189960 1223120376 /nfs/dbraw/zinc/12/03/76/1223120376.db2.gz HELOQOSAZJKQJT-AWEZNQCLSA-N 2 0 363.462 0.368 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159210090 1223120779 /nfs/dbraw/zinc/12/07/79/1223120779.db2.gz CEEBYWOSACCDNL-WNRNVDISSA-N 2 0 362.474 0.813 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235310 1223121783 /nfs/dbraw/zinc/12/17/83/1223121783.db2.gz WPSINXIONWOVSG-ZDUSSCGKSA-N 2 0 364.400 0.940 20 0 FCADRP Cc1cnc2n1CCC21CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001159382054 1223125378 /nfs/dbraw/zinc/12/53/78/1223125378.db2.gz MJIPLHMNOCFAGT-MRXNPFEDSA-N 2 0 360.506 0.206 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402570 1223126039 /nfs/dbraw/zinc/12/60/39/1223126039.db2.gz HTVJJMDDPUOLCC-RFBLXINOSA-N 2 0 363.437 0.382 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001159411413 1223126352 /nfs/dbraw/zinc/12/63/52/1223126352.db2.gz BKAWVWGAFYFRFD-ZWKOTPCHSA-N 2 0 358.486 0.865 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)CC[C@@H]21 ZINC001159534739 1223129428 /nfs/dbraw/zinc/12/94/28/1223129428.db2.gz QESQXTATOZRQAN-LXZJYRNTSA-N 2 0 374.533 0.664 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550080 1223129630 /nfs/dbraw/zinc/12/96/30/1223129630.db2.gz VLQXZHFPIYLBRS-CQSZACIVSA-N 2 0 363.462 0.538 20 0 FCADRP CN(CC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@H]1CCC[NH2+]C1 ZINC001159560395 1223129717 /nfs/dbraw/zinc/12/97/17/1223129717.db2.gz LULGIUDVTLUDNO-KRWDZBQOSA-N 2 0 374.533 0.941 20 0 FCADRP [NH3+][C@@H](C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585326 1223130246 /nfs/dbraw/zinc/13/02/46/1223130246.db2.gz PXJLTZKBSVLRNK-MAUKXSAKSA-N 2 0 361.490 0.595 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@@H]2C ZINC001159634133 1223131800 /nfs/dbraw/zinc/13/18/00/1223131800.db2.gz WKPJBOFBFKQEOM-CZUORRHYSA-N 2 0 359.478 0.920 20 0 FCADRP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159695941 1223134141 /nfs/dbraw/zinc/13/41/41/1223134141.db2.gz HGFZZDMCEJDDOC-CZUORRHYSA-N 2 0 359.474 0.522 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159699318 1223134500 /nfs/dbraw/zinc/13/45/00/1223134500.db2.gz OSGVMMCWSFLEFS-WFEDQXDTSA-N 2 0 374.485 0.793 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888683 1223138788 /nfs/dbraw/zinc/13/87/88/1223138788.db2.gz VBNIWGMVKCMUEF-DOTOQJQBSA-N 2 0 367.444 0.817 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159887455 1223139083 /nfs/dbraw/zinc/13/90/83/1223139083.db2.gz VVXHRGOJYJEEQN-RDJZCZTQSA-N 2 0 368.428 0.851 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905175 1223139513 /nfs/dbraw/zinc/13/95/13/1223139513.db2.gz KVCFGLJUWJGFPF-MDZRGWNJSA-N 2 0 358.442 0.029 20 0 FCADRP Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001159988436 1223141941 /nfs/dbraw/zinc/14/19/41/1223141941.db2.gz UPYTYKZCRUHPKY-BBWFWOEESA-N 2 0 365.478 0.159 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160083785 1223144828 /nfs/dbraw/zinc/14/48/28/1223144828.db2.gz CEEVCELQLATIAP-ABSDTBQOSA-N 2 0 373.501 0.653 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160102290 1223146058 /nfs/dbraw/zinc/14/60/58/1223146058.db2.gz KABHIFPNGUSYHF-IRXDYDNUSA-N 2 0 373.501 0.763 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138480 1223146604 /nfs/dbraw/zinc/14/66/04/1223146604.db2.gz MRYOYYVNPAOQRF-DAYGRLMNSA-N 2 0 374.489 0.835 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H](N)CC[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172617 1223148345 /nfs/dbraw/zinc/14/83/45/1223148345.db2.gz ZOISFFPJUBVBCM-INIZCTEOSA-N 2 0 354.458 0.814 20 0 FCADRP Cn1cc(N2C[C@@H]3CN(C(=O)c4ccc([C@H](N)C[NH3+])cc4)C[C@@H]3C2=O)cn1 ZINC001160219257 1223150111 /nfs/dbraw/zinc/15/01/11/1223150111.db2.gz VUXIOZVLHHNFKZ-BHYGNILZSA-N 2 0 368.441 0.114 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422499 1223158943 /nfs/dbraw/zinc/15/89/43/1223158943.db2.gz HACXNTPTRZZKGT-VINWQNLFSA-N 2 0 358.486 0.863 20 0 FCADRP NC1(C(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)CC[NH2+]CC1 ZINC001160434124 1223160071 /nfs/dbraw/zinc/16/00/71/1223160071.db2.gz FCQNYZXWXCWVMK-UHFFFAOYSA-N 2 0 356.430 0.919 20 0 FCADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585470 1223165287 /nfs/dbraw/zinc/16/52/87/1223165287.db2.gz MCKJOQXPZHXPET-RRQGHBQHSA-N 2 0 370.453 0.610 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC001160673029 1223167839 /nfs/dbraw/zinc/16/78/39/1223167839.db2.gz BLOWEPVLDHKEQD-IBGZPJMESA-N 2 0 372.513 0.827 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc(=O)oc2c1 ZINC001160705199 1223169171 /nfs/dbraw/zinc/16/91/71/1223169171.db2.gz UTJPGXYRTMOEPM-VBQJREDUSA-N 2 0 371.437 0.691 20 0 FCADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787566 1223172600 /nfs/dbraw/zinc/17/26/00/1223172600.db2.gz LHDRYBZQSSQOFP-DZGCQCFKSA-N 2 0 361.446 0.273 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(F)(F)C3CC[NH2+]CC3)C[C@H]1C2 ZINC001160797697 1223173740 /nfs/dbraw/zinc/17/37/40/1223173740.db2.gz SDEYLLVMPSODCI-WFTWPBCJSA-N 2 0 371.428 0.478 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]([NH3+])Cc3cccc(O)c3)C[C@H]1C[NH2+]CC2 ZINC001160812028 1223174538 /nfs/dbraw/zinc/17/45/38/1223174538.db2.gz XYGNYFBVOQORBX-IDHHARJASA-N 2 0 361.442 0.263 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[C@@]4(C3)C[NH2+]CCO4)C[C@H]1C[NH2+]CC2 ZINC001160810573 1223174886 /nfs/dbraw/zinc/17/48/86/1223174886.db2.gz CMSYNIZNROHDQU-OHDICMOHSA-N 2 0 365.474 0.146 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CC(F)(F)C1 ZINC001160973949 1223182594 /nfs/dbraw/zinc/18/25/94/1223182594.db2.gz YQEKGDWXZOWPMV-GXFFZTMASA-N 2 0 366.372 0.199 20 0 FCADRP NC1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001160999466 1223182629 /nfs/dbraw/zinc/18/26/29/1223182629.db2.gz FDMRUMBJPCHTQH-SFHVURJKSA-N 2 0 372.513 0.695 20 0 FCADRP COc1cc(N2CCN(C(=O)c3ccc([C@@H](N)C[NH3+])cc3)CC2)ncn1 ZINC001161092813 1223185859 /nfs/dbraw/zinc/18/58/59/1223185859.db2.gz BMPAUVQYLCAQMN-HNNXBMFYSA-N 2 0 356.430 0.406 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090335 1223185911 /nfs/dbraw/zinc/18/59/11/1223185911.db2.gz LRJURGZTWCJPNB-MRXNPFEDSA-N 3 0 366.469 0.524 20 0 FCADRP CC1(C)N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC[C@]12c1ccccc1OC2=O ZINC001161160875 1223187785 /nfs/dbraw/zinc/18/77/85/1223187785.db2.gz IKFOEJIIIMXOGJ-VBKZILBWSA-N 2 0 355.438 0.663 20 0 FCADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161171967 1223188464 /nfs/dbraw/zinc/18/84/64/1223188464.db2.gz RIGZZFMGIXTAAQ-BJJXKVORSA-N 2 0 363.462 0.293 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198419 1223189097 /nfs/dbraw/zinc/18/90/97/1223189097.db2.gz QODTYEWHQVWGMG-MSOLQXFVSA-N 2 0 370.513 0.485 20 0 FCADRP O=C(N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001161196815 1223189420 /nfs/dbraw/zinc/18/94/20/1223189420.db2.gz SGBIXSOLKXGZLL-UYAOXDASSA-N 2 0 364.534 0.537 20 0 FCADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC001161246877 1223191761 /nfs/dbraw/zinc/19/17/61/1223191761.db2.gz RDPXVMBLTDTTGD-GJYPPUQNSA-N 2 0 362.449 0.447 20 0 FCADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001161246362 1223192059 /nfs/dbraw/zinc/19/20/59/1223192059.db2.gz JYEJNHCWLJLSIS-KSSFIOAISA-N 2 0 363.389 0.658 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC001161252473 1223192351 /nfs/dbraw/zinc/19/23/51/1223192351.db2.gz KZKINBAPSHKEFF-KRWDZBQOSA-N 2 0 362.449 0.873 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001161253445 1223192764 /nfs/dbraw/zinc/19/27/64/1223192764.db2.gz SSOYWULDNDBWND-BRWVUGGUSA-N 2 0 371.485 0.941 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161275975 1223193547 /nfs/dbraw/zinc/19/35/47/1223193547.db2.gz LAOHDRLZHADQOG-ROUUACIJSA-N 2 0 361.490 0.796 20 0 FCADRP COc1cccc(OC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)n1 ZINC001161313876 1223196006 /nfs/dbraw/zinc/19/60/06/1223196006.db2.gz ZSNCXJLBGNWOLP-AUUYWEPGSA-N 2 0 360.458 0.659 20 0 FCADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376723 1223197278 /nfs/dbraw/zinc/19/72/78/1223197278.db2.gz CSFREWUSZAZLSS-MOPGFXCFSA-N 2 0 360.502 0.945 20 0 FCADRP COc1ccnc(N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C2CC[NH2+]CC2)c1 ZINC001161385490 1223197821 /nfs/dbraw/zinc/19/78/21/1223197821.db2.gz BHQIWRJDTIKWRA-HNNXBMFYSA-N 2 0 361.446 0.125 20 0 FCADRP COc1ccnc(N(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C2CC[NH2+]CC2)c1 ZINC001161385880 1223197924 /nfs/dbraw/zinc/19/79/24/1223197924.db2.gz JZICSSIWXNETET-RRQGHBQHSA-N 2 0 360.458 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161438449 1223199121 /nfs/dbraw/zinc/19/91/21/1223199121.db2.gz HQVMHWXLXUKSRA-CRAIPNDOSA-N 2 0 373.501 0.110 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)C1CC[NH2+]CC1 ZINC001161458252 1223199511 /nfs/dbraw/zinc/19/95/11/1223199511.db2.gz ZUXDHVGNDSPXIA-LJQANCHMSA-N 2 0 356.470 0.791 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CO[C@]3(C1)CCC[NH2+]CC3)CC2 ZINC001161477463 1223200958 /nfs/dbraw/zinc/20/09/58/1223200958.db2.gz IUZDHKNKGMNOOY-SFUIVIKGSA-N 2 0 365.474 0.289 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2ccc3c(c2)C2(CC3=O)CC[NH2+]CC2)CC12COC2 ZINC001161506546 1223202673 /nfs/dbraw/zinc/20/26/73/1223202673.db2.gz KYXFTQWPUXSARX-KRWDZBQOSA-N 2 0 355.438 0.694 20 0 FCADRP C[N@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161500999 1223202903 /nfs/dbraw/zinc/20/29/03/1223202903.db2.gz WNIWHNRDGHMKOH-MDKPJZGXSA-N 2 0 370.497 0.644 20 0 FCADRP C[NH+]1CC2(CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001161532225 1223203989 /nfs/dbraw/zinc/20/39/89/1223203989.db2.gz PNBVQICLIOUUOZ-IRXDYDNUSA-N 2 0 356.470 0.240 20 0 FCADRP O=C(N1CCC2(CC1)[NH2+]CCc1ccccc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161582650 1223204989 /nfs/dbraw/zinc/20/49/89/1223204989.db2.gz NZYZFICJBLMGNR-YLJYHZDGSA-N 3 0 354.498 0.849 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001162532457 1223218096 /nfs/dbraw/zinc/21/80/96/1223218096.db2.gz RXIMVYRUISAZAA-UHFFFAOYSA-N 2 0 373.461 0.781 20 0 FCADRP CNC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162817024 1223219904 /nfs/dbraw/zinc/21/99/04/1223219904.db2.gz MAEJJGHLTDBAGE-SJLPKXTDSA-N 2 0 360.502 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC[NH2+]CC(N)=O)CCc2ccccc2)CC[N@@H+]1C ZINC001162810122 1223220255 /nfs/dbraw/zinc/22/02/55/1223220255.db2.gz DVECZZUBKYAWOZ-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973342 1223222791 /nfs/dbraw/zinc/22/27/91/1223222791.db2.gz IQVSGOHHQVETLN-UHFFFAOYSA-N 2 0 372.477 0.460 20 0 FCADRP O=C1N[C@@H](c2ccc(NCc3nnn4c3C[NH2+]CCC4)cc2)CC12C[NH2+]C2 ZINC001162971867 1223222821 /nfs/dbraw/zinc/22/28/21/1223222821.db2.gz PLFRALAVRLHKRX-OAHLLOKOSA-N 2 0 367.457 0.534 20 0 FCADRP c1c([C@@H]2C[NH2+]CCO2)nc2cccc(NCc3nnn4c3C[NH2+]CCC4)n12 ZINC001162980110 1223222842 /nfs/dbraw/zinc/22/28/42/1223222842.db2.gz VGLRTRBPPGAADU-INIZCTEOSA-N 2 0 368.445 0.692 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(N2CCOCC2)nc2c1CCN2 ZINC001163125770 1223227008 /nfs/dbraw/zinc/22/70/08/1223227008.db2.gz JQVNFLYDYBSXOP-UHFFFAOYSA-N 2 0 362.482 0.559 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001164526348 1223239421 /nfs/dbraw/zinc/23/94/21/1223239421.db2.gz DYDYXGCYBADZTL-MSOLQXFVSA-N 2 0 358.486 0.564 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC1 ZINC001164565656 1223239729 /nfs/dbraw/zinc/23/97/29/1223239729.db2.gz BIZZXVAIUZGKAA-WBVHZDCISA-N 2 0 366.506 0.095 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2cc(C3C[NH2+]C3)ncn2)nc1 ZINC001165461912 1223246728 /nfs/dbraw/zinc/24/67/28/1223246728.db2.gz OLHCTAUEFGPBCP-UHFFFAOYSA-N 2 0 364.413 0.925 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728320 1223255305 /nfs/dbraw/zinc/25/53/05/1223255305.db2.gz POQNSVKAIXALFC-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728864 1223255675 /nfs/dbraw/zinc/25/56/75/1223255675.db2.gz WGKOFFPFLZQHCU-ARFHVFGLSA-N 2 0 368.522 0.496 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728753 1223255724 /nfs/dbraw/zinc/25/57/24/1223255724.db2.gz SXTUTJVIUQFLMJ-BZUAXINKSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn(-c2ncc3c(n2)CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937621 1223262355 /nfs/dbraw/zinc/26/23/55/1223262355.db2.gz LPWCBLMJSCFZJC-LBPRGKRZSA-N 2 0 367.457 0.578 20 0 FCADRP COCCN1C[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]2C1=O ZINC001166137705 1223267785 /nfs/dbraw/zinc/26/77/85/1223267785.db2.gz PMMZVRWGXOTDIU-ZBFHGGJFSA-N 2 0 359.474 0.550 20 0 FCADRP CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001205216453 1223316770 /nfs/dbraw/zinc/31/67/70/1223316770.db2.gz DANFKMFMGGNZMS-QXAKKESOSA-N 2 0 363.502 0.783 20 0 FCADRP COCCOC[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335293 1223320176 /nfs/dbraw/zinc/32/01/76/1223320176.db2.gz WNNHSFVQLUWLOL-KBAYOESNSA-N 2 0 371.522 0.179 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205452392 1223324320 /nfs/dbraw/zinc/32/43/20/1223324320.db2.gz DEUHSUFKVCGESK-RRQGHBQHSA-N 2 0 364.465 0.925 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001206347409 1223356649 /nfs/dbraw/zinc/35/66/49/1223356649.db2.gz WUXYNPOZDIEIIA-MSOLQXFVSA-N 2 0 358.486 0.645 20 0 FCADRP CCc1nccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001207087682 1223415916 /nfs/dbraw/zinc/41/59/16/1223415916.db2.gz LTOGEMMXNDCHSD-UHFFFAOYSA-N 2 0 374.533 0.709 20 0 FCADRP Cn1ccnc1C(=O)N[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001207397719 1223443481 /nfs/dbraw/zinc/44/34/81/1223443481.db2.gz RCLPONWGBUBNPX-BRWVUGGUSA-N 2 0 361.490 0.724 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207397133 1223443579 /nfs/dbraw/zinc/44/35/79/1223443579.db2.gz DFQWFWRGMORWPX-UHFFFAOYSA-N 2 0 360.502 0.679 20 0 FCADRP O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436395 1223446382 /nfs/dbraw/zinc/44/63/82/1223446382.db2.gz BBTWJTJRFPYQRU-RYQLBKOJSA-N 2 0 359.474 0.685 20 0 FCADRP O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436393 1223446832 /nfs/dbraw/zinc/44/68/32/1223446832.db2.gz BBTWJTJRFPYQRU-CGTJXYLNSA-N 2 0 359.474 0.685 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859765 1223486562 /nfs/dbraw/zinc/48/65/62/1223486562.db2.gz WQZUBFGNDWJTCC-IXDOHACOSA-N 2 0 369.506 0.075 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208074644 1223514262 /nfs/dbraw/zinc/51/42/62/1223514262.db2.gz ZYXKBYFPOIJSSP-SOUVJXGZSA-N 2 0 367.494 0.143 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3CC[C@@]4(CCN(CC[NH+](C)C)C4=O)C3)ccc21 ZINC001276567142 1223527423 /nfs/dbraw/zinc/52/74/23/1223527423.db2.gz VYYJXXCPYGAQBK-LJQANCHMSA-N 2 0 356.474 0.954 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001208596649 1223561334 /nfs/dbraw/zinc/56/13/34/1223561334.db2.gz WJHQRSNAFJGYPV-HXUWFJFHSA-N 2 0 366.550 0.879 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208708485 1223571571 /nfs/dbraw/zinc/57/15/71/1223571571.db2.gz XOAXFCOJGXDZTG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP COC(=O)c1cccc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276589498 1223580089 /nfs/dbraw/zinc/58/00/89/1223580089.db2.gz UTJHAHZTPQWNLV-IBGZPJMESA-N 2 0 360.458 0.854 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC2(CCC1=O)CC[NH+](CCC[NH+](C)C)CC2 ZINC001276609594 1223593579 /nfs/dbraw/zinc/59/35/79/1223593579.db2.gz JYFYNWHVZPZTRL-INIZCTEOSA-N 2 0 369.506 0.831 20 0 FCADRP C[NH+](C)CCC[NH+]1CCC2(CCC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001276610354 1223593977 /nfs/dbraw/zinc/59/39/77/1223593977.db2.gz PVMOBSJGNSGWQR-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209333613 1223611536 /nfs/dbraw/zinc/61/15/36/1223611536.db2.gz JPBPGRGLNUWIHD-MDASCCDHSA-N 2 0 360.502 0.816 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478704 1223623419 /nfs/dbraw/zinc/62/34/19/1223623419.db2.gz YKHYNMDQFVOSQQ-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209478529 1223623930 /nfs/dbraw/zinc/62/39/30/1223623930.db2.gz VOBRJJYJQYZGSX-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001211046291 1223721422 /nfs/dbraw/zinc/72/14/22/1223721422.db2.gz MGQZJPIOUVOCAC-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC001211045877 1223722046 /nfs/dbraw/zinc/72/20/46/1223722046.db2.gz DICRUCUAXHSMRQ-JFIYKMOQSA-N 2 0 363.506 0.367 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001211367544 1223737662 /nfs/dbraw/zinc/73/76/62/1223737662.db2.gz VARZIZGPASDQSS-ZIAGYGMSSA-N 2 0 367.494 0.094 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219449 1223769893 /nfs/dbraw/zinc/76/98/93/1223769893.db2.gz SRJBHZXTGDOZFX-QZTJIDSGSA-N 2 0 371.522 0.465 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224284 1223772074 /nfs/dbraw/zinc/77/20/74/1223772074.db2.gz VJCPFLLQCGRJNI-IAGOWNOFSA-N 2 0 363.506 0.963 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213745219 1223843024 /nfs/dbraw/zinc/84/30/24/1223843024.db2.gz YRWRJMAGAVXODO-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213765001 1223846120 /nfs/dbraw/zinc/84/61/20/1223846120.db2.gz ONNNQOOGEYPLDL-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213801958 1223852368 /nfs/dbraw/zinc/85/23/68/1223852368.db2.gz IBSKKWIPNONXAX-CGTJXYLNSA-N 2 0 364.490 0.985 20 0 FCADRP CO[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871710 1223865520 /nfs/dbraw/zinc/86/55/20/1223865520.db2.gz DEPZDTLPNAQXSS-GVDBMIGSSA-N 2 0 368.522 0.545 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914438 1223871062 /nfs/dbraw/zinc/87/10/62/1223871062.db2.gz FZMHLXAXYOZNKH-RCCFBDPRSA-N 2 0 365.474 0.185 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C)C1CC1 ZINC001214648342 1223929140 /nfs/dbraw/zinc/92/91/40/1223929140.db2.gz JFUMOBNBONSBAM-FHLIZLRMSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001214666024 1223930765 /nfs/dbraw/zinc/93/07/65/1223930765.db2.gz QULLNQOIENTBDS-QKPAOTATSA-N 2 0 374.489 0.582 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214947834 1223958646 /nfs/dbraw/zinc/95/86/46/1223958646.db2.gz FZLRZKYRPDILRH-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001215015276 1223964361 /nfs/dbraw/zinc/96/43/61/1223964361.db2.gz PWFOQIKFVXBIGE-DJIMGWMZSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215058210 1223969031 /nfs/dbraw/zinc/96/90/31/1223969031.db2.gz FGZUPWMAIOTFDG-BRWVUGGUSA-N 2 0 361.490 0.309 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001215234322 1223984669 /nfs/dbraw/zinc/98/46/69/1223984669.db2.gz PAWYOJIUDODISV-ZIAGYGMSSA-N 2 0 364.494 0.309 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423921 1223999054 /nfs/dbraw/zinc/99/90/54/1223999054.db2.gz XEASJGYDWGGURI-IAGOWNOFSA-N 2 0 370.538 0.696 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423481 1223999088 /nfs/dbraw/zinc/99/90/88/1223999088.db2.gz NNKFFRRZZCQLGC-IUODEOHRSA-N 2 0 364.494 0.743 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557999 1224005894 /nfs/dbraw/zinc/00/58/94/1224005894.db2.gz JAWKRNONSUXSON-BHIYHBOVSA-N 2 0 363.502 0.605 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1)[NH+](C)C ZINC001215575157 1224006932 /nfs/dbraw/zinc/00/69/32/1224006932.db2.gz MIOLYNAAHCXQKW-DFBGVHRSSA-N 2 0 364.494 0.742 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599309 1224008941 /nfs/dbraw/zinc/00/89/41/1224008941.db2.gz ZLLXACKVISMEKP-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216405678 1224048994 /nfs/dbraw/zinc/04/89/94/1224048994.db2.gz OQCIKPQANQWXFV-NVXWUHKLSA-N 2 0 371.485 0.230 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463333 1224052716 /nfs/dbraw/zinc/05/27/16/1224052716.db2.gz FBENLVDNRBJVNW-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216506699 1224053753 /nfs/dbraw/zinc/05/37/53/1224053753.db2.gz MMQXCUBIZSOWLG-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757742 1224069517 /nfs/dbraw/zinc/06/95/17/1224069517.db2.gz KRIJOQFXOJLFAB-BRWVUGGUSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC001216757788 1224069556 /nfs/dbraw/zinc/06/95/56/1224069556.db2.gz MCSOWWFXVDTNHO-ZHALLVOQSA-N 2 0 361.486 0.959 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757846 1224069591 /nfs/dbraw/zinc/06/95/91/1224069591.db2.gz NYDMVAQVKNBCBQ-RBSFLKMASA-N 2 0 367.494 0.141 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834715 1224076928 /nfs/dbraw/zinc/07/69/28/1224076928.db2.gz VFJKGQOLAWYHSS-SJLPKXTDSA-N 2 0 368.522 0.452 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216853515 1224078930 /nfs/dbraw/zinc/07/89/30/1224078930.db2.gz FCSKXOSDZRORQM-VNHYZAJKSA-N 2 0 367.494 0.140 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n(C)n1 ZINC001216853964 1224078954 /nfs/dbraw/zinc/07/89/54/1224078954.db2.gz PIKAAWHWXPKOKB-UKRRQHHQSA-N 2 0 364.494 0.444 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C)c1ccco1 ZINC001217010708 1224084650 /nfs/dbraw/zinc/08/46/50/1224084650.db2.gz UEVAIEKGPZYCTI-QLFBSQMISA-N 2 0 359.430 0.790 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987518357 1249072751 /nfs/dbraw/zinc/07/27/51/1249072751.db2.gz RQACGZRKWDYRMZ-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993435141 1249531992 /nfs/dbraw/zinc/53/19/92/1249531992.db2.gz HRPXXVMEFULIGR-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CCC1 ZINC000993606418 1249793894 /nfs/dbraw/zinc/79/38/94/1249793894.db2.gz KTKOIBOXDZJFBS-BZUAXINKSA-N 2 0 359.474 0.583 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994027921 1250152856 /nfs/dbraw/zinc/15/28/56/1250152856.db2.gz AXKJLORWIZHCED-IXDOHACOSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCN1C ZINC000823783886 1245320717 /nfs/dbraw/zinc/32/07/17/1245320717.db2.gz DBAGCVWDTGBOGG-QRFRQXIXSA-N 2 0 360.502 0.374 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000849112778 1245393305 /nfs/dbraw/zinc/39/33/05/1245393305.db2.gz CDSVCWNGMDQJSO-HNNXBMFYSA-N 2 0 369.510 0.910 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891479002 1245450914 /nfs/dbraw/zinc/45/09/14/1245450914.db2.gz OUEMTZVWAPHXKG-OAGGEKHMSA-N 2 0 365.478 0.295 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538724 1245453453 /nfs/dbraw/zinc/45/34/53/1245453453.db2.gz SGIMWHCLOKBRFE-QXSJWSMHSA-N 2 0 365.478 0.437 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563255 1245455726 /nfs/dbraw/zinc/45/57/26/1245455726.db2.gz BRVQHQXSJBSKHL-IAGOWNOFSA-N 2 0 367.538 0.470 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911503558 1245501510 /nfs/dbraw/zinc/50/15/10/1245501510.db2.gz PAFZJZRFDJETGI-UHFFFAOYSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000911516288 1245504304 /nfs/dbraw/zinc/50/43/04/1245504304.db2.gz ACJKTTZAWIKACD-KBAYOESNSA-N 2 0 356.470 0.814 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564331 1245514570 /nfs/dbraw/zinc/51/45/70/1245514570.db2.gz SVQMUAGYGZKOQL-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911561057 1245514875 /nfs/dbraw/zinc/51/48/75/1245514875.db2.gz GBUURHJUINOITC-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919642235 1245610293 /nfs/dbraw/zinc/61/02/93/1245610293.db2.gz JSHFJGCFYRCCNT-ATIFRJIPSA-N 2 0 368.522 0.486 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939881172 1246183219 /nfs/dbraw/zinc/18/32/19/1246183219.db2.gz ZYFKQPWQVZTKIR-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP CO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549235 1247124396 /nfs/dbraw/zinc/12/43/96/1247124396.db2.gz LGKGKVLRGPKZMA-USXIJHARSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000942596035 1247153534 /nfs/dbraw/zinc/15/35/34/1247153534.db2.gz QAQMYELIMWCGRJ-BZUAXINKSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946429830 1247812645 /nfs/dbraw/zinc/81/26/45/1247812645.db2.gz CWAGRUVCYQKPKN-GVDBMIGSSA-N 2 0 366.506 0.012 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839683 1265440599 /nfs/dbraw/zinc/44/05/99/1265440599.db2.gz KDBALZWVFJHKTQ-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C ZINC000977199340 1248568863 /nfs/dbraw/zinc/56/88/63/1248568863.db2.gz NCVAIYZRUKERCG-JLOCXQCDSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335254 1250385323 /nfs/dbraw/zinc/38/53/23/1250385323.db2.gz JAWJLNNHYVRDLH-BRWVUGGUSA-N 2 0 362.518 0.635 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)C1 ZINC000995307219 1250793983 /nfs/dbraw/zinc/79/39/83/1250793983.db2.gz PURCRMRJAYQJIX-SQGPQFPESA-N 2 0 362.518 0.921 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001328410554 1265540866 /nfs/dbraw/zinc/54/08/66/1265540866.db2.gz RGQPZBYAYCGSLT-GOSISDBHSA-N 2 0 367.538 0.567 20 0 FCADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001328454976 1265554247 /nfs/dbraw/zinc/55/42/47/1265554247.db2.gz LGQOMBNNDNIDRT-OAHLLOKOSA-N 2 0 362.478 0.530 20 0 FCADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1)C(N)=O ZINC000997036205 1251477333 /nfs/dbraw/zinc/47/73/33/1251477333.db2.gz WPAYNNSZKGEADS-QGTPRVQTSA-N 2 0 358.486 0.786 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998652532 1251941616 /nfs/dbraw/zinc/94/16/16/1251941616.db2.gz BMBAAYJMMYADSK-YVSFHVDLSA-N 2 0 360.502 0.672 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2)C12CC[NH+](CC1)C2 ZINC000998658159 1251943510 /nfs/dbraw/zinc/94/35/10/1251943510.db2.gz KGRUQCSSQOZUCT-OWSLCNJRSA-N 2 0 372.513 0.672 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002501252 1252578612 /nfs/dbraw/zinc/57/86/12/1252578612.db2.gz ZIZBCHBYGYJGSX-KBAYOESNSA-N 2 0 364.534 0.879 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC001002613305 1252617308 /nfs/dbraw/zinc/61/73/08/1252617308.db2.gz JUELLXZZBIUIPB-MLHJIOFPSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001002793573 1252677289 /nfs/dbraw/zinc/67/72/89/1252677289.db2.gz BOQJRBVRYRTUHF-VQHPVUNQSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)ccc1N1CC[NH+](C)CC1 ZINC001329131926 1265700164 /nfs/dbraw/zinc/70/01/64/1265700164.db2.gz DCDDJGAPJWMAKM-QGZVFWFLSA-N 2 0 373.501 0.896 20 0 FCADRP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004302318 1253277120 /nfs/dbraw/zinc/27/71/20/1253277120.db2.gz LHMYJDLZLKXTBM-ZACQAIPSSA-N 2 0 360.502 0.959 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004390646 1253312225 /nfs/dbraw/zinc/31/22/25/1253312225.db2.gz JWZQOIQZPUJVLK-VQHPVUNQSA-N 2 0 360.502 0.672 20 0 FCADRP C/C(=C\C(=O)N1CC[C@H](C[NH+](C)C)C1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001519776861 1265770610 /nfs/dbraw/zinc/77/06/10/1265770610.db2.gz PMUYBNNHKOUHSV-GUJBPHSMSA-N 2 0 350.507 0.753 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027418491 1253851123 /nfs/dbraw/zinc/85/11/23/1253851123.db2.gz DYRZHOLVZOLNNA-IXDOHACOSA-N 2 0 365.522 0.665 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001519813205 1265777646 /nfs/dbraw/zinc/77/76/46/1265777646.db2.gz ZIQCCQQSVXQSTI-YJBOKZPZSA-N 2 0 372.517 0.939 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+](CC)CC)CC[N@@H+]1C ZINC001061623198 1254194639 /nfs/dbraw/zinc/19/46/39/1254194639.db2.gz VYQVEGKOYVIHMY-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC001329746035 1265827853 /nfs/dbraw/zinc/82/78/53/1265827853.db2.gz MQYUXOWHTQIROF-MRXNPFEDSA-N 2 0 361.490 0.707 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001329935970 1265899368 /nfs/dbraw/zinc/89/93/68/1265899368.db2.gz ATBMBFMEKJJEFZ-INIZCTEOSA-N 2 0 360.506 0.586 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174503 1255288168 /nfs/dbraw/zinc/28/81/68/1255288168.db2.gz NKCKZCVZDVRNMO-KZNAEPCWSA-N 2 0 354.454 0.848 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001078403507 1255407713 /nfs/dbraw/zinc/40/77/13/1255407713.db2.gz ARSTUHAHFKYCMX-YESZJQIVSA-N 2 0 364.494 0.253 20 0 FCADRP CCn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405256 1255408861 /nfs/dbraw/zinc/40/88/61/1255408861.db2.gz JJVDGFNDRIXFOC-IXDOHACOSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456079 1255896238 /nfs/dbraw/zinc/89/62/38/1255896238.db2.gz MXHAYIYMAZZJSL-BZUAXINKSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787735 1256038705 /nfs/dbraw/zinc/03/87/05/1256038705.db2.gz PPZKRHLOTRBKDE-RHSMWYFYSA-N 2 0 356.470 0.818 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789294 1256040777 /nfs/dbraw/zinc/04/07/77/1256040777.db2.gz YOMOHQKVTHPDKI-BZUAXINKSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080876886 1256069456 /nfs/dbraw/zinc/06/94/56/1256069456.db2.gz USHCYVNTBYCBOT-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081125669 1256188225 /nfs/dbraw/zinc/18/82/25/1256188225.db2.gz LUHBDXHZEVATTL-JCGIZDLHSA-N 2 0 358.486 0.929 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799295 1256378013 /nfs/dbraw/zinc/37/80/13/1256378013.db2.gz KXEQJPQGMFCIPA-RCCFBDPRSA-N 2 0 363.506 0.961 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959796 1256474894 /nfs/dbraw/zinc/47/48/94/1256474894.db2.gz YIGUUPMODNKLEO-KJBWJIBOSA-N 2 0 371.481 0.865 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001082103777 1256535929 /nfs/dbraw/zinc/53/59/29/1256535929.db2.gz ZGAZMONDNSGCAB-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515741 1256800428 /nfs/dbraw/zinc/80/04/28/1256800428.db2.gz XAWKEXYKMARKKP-KBRIMQKVSA-N 2 0 359.474 0.764 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082517710 1256800528 /nfs/dbraw/zinc/80/05/28/1256800528.db2.gz AFNNUOFJYBUJJX-NVXWUHKLSA-N 2 0 359.478 0.392 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001082522005 1256804698 /nfs/dbraw/zinc/80/46/98/1256804698.db2.gz MULIOIJTYHPWNU-QKPAOTATSA-N 2 0 364.490 0.302 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082591876 1256903247 /nfs/dbraw/zinc/90/32/47/1256903247.db2.gz BWVLJVOASRCKEJ-IAGOWNOFSA-N 2 0 363.506 0.678 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)ccc2c[nH+]cn21 ZINC001082609493 1256921064 /nfs/dbraw/zinc/92/10/64/1256921064.db2.gz OAFZMDFOOUHXJA-CXAGYDPISA-N 2 0 355.442 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082653554 1256957324 /nfs/dbraw/zinc/95/73/24/1256957324.db2.gz QNUOIGIPIRWSBH-UYJRAODCSA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082653305 1256958044 /nfs/dbraw/zinc/95/80/44/1256958044.db2.gz FCQOPCPSGOIKPY-LGFHUAIBSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082681586 1256983084 /nfs/dbraw/zinc/98/30/84/1256983084.db2.gz CKQYIEBGCHAHQS-HUUCEWRRSA-N 2 0 364.490 0.446 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1)[NH+](C)C ZINC001082747357 1257028573 /nfs/dbraw/zinc/02/85/73/1257028573.db2.gz NVAICSMVNRXWAX-YUELXQCFSA-N 2 0 360.462 0.299 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082783440 1257048175 /nfs/dbraw/zinc/04/81/75/1257048175.db2.gz YOELLKXUDLFEKG-ZACQAIPSSA-N 2 0 365.522 0.711 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)on1 ZINC001082797623 1257057496 /nfs/dbraw/zinc/05/74/96/1257057496.db2.gz FRFBSXLUSUPENR-CXAGYDPISA-N 2 0 360.462 0.991 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923315 1257146825 /nfs/dbraw/zinc/14/68/25/1257146825.db2.gz DEZMKOWXZOVAKL-IIDMSEBBSA-N 2 0 361.490 0.690 20 0 FCADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923405 1257147265 /nfs/dbraw/zinc/14/72/65/1257147265.db2.gz IUHJSOISIFPMPQ-IIDMSEBBSA-N 2 0 363.506 0.633 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923442 1257148222 /nfs/dbraw/zinc/14/82/22/1257148222.db2.gz KGBZHDQISOBXEH-BFYDXBDKSA-N 2 0 364.494 0.203 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083083915 1257284728 /nfs/dbraw/zinc/28/47/28/1257284728.db2.gz REXYOJARLMJIEX-GBESFXJTSA-N 2 0 363.502 0.666 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106581 1257321461 /nfs/dbraw/zinc/32/14/61/1257321461.db2.gz KWSIVCJPOKUOHS-YESZJQIVSA-N 2 0 364.490 0.003 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001521342601 1266113255 /nfs/dbraw/zinc/11/32/55/1266113255.db2.gz LZIQEQRDFLEKEV-KSZLIROESA-N 2 0 369.554 0.763 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083749940 1257488714 /nfs/dbraw/zinc/48/87/14/1257488714.db2.gz XWCKYUMONZMWPT-QRVBRYPASA-N 2 0 361.486 0.093 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC001330969517 1266124034 /nfs/dbraw/zinc/12/40/34/1266124034.db2.gz IDGACOCMMUYHCV-LJQANCHMSA-N 2 0 358.486 0.816 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC001521482240 1266126462 /nfs/dbraw/zinc/12/64/62/1266126462.db2.gz JCYXCRHBTRFZCH-QUCCMNQESA-N 2 0 361.486 0.551 20 0 FCADRP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953289 1257742616 /nfs/dbraw/zinc/74/26/16/1257742616.db2.gz NIWDXVBAVARNFA-SUMDDJOVSA-N 2 0 360.502 0.756 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088289 1257913263 /nfs/dbraw/zinc/91/32/63/1257913263.db2.gz ZUASXZCSNDZDPI-QRQLOZEOSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001084407013 1258086566 /nfs/dbraw/zinc/08/65/66/1258086566.db2.gz DXCHZDKVEBNCRG-LMMKCTJWSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001521663517 1266160053 /nfs/dbraw/zinc/16/00/53/1266160053.db2.gz IEXRSHWBHVDFFM-KYJSFNMBSA-N 2 0 350.507 0.951 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778240 1258321101 /nfs/dbraw/zinc/32/11/01/1258321101.db2.gz MVQLCFPSDWRWBF-GVDBMIGSSA-N 2 0 360.502 0.531 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21)N1CCC1 ZINC001084941566 1258454885 /nfs/dbraw/zinc/45/48/85/1258454885.db2.gz PWXBRMCZMHDOEJ-KURKYZTESA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032736 1258535037 /nfs/dbraw/zinc/53/50/37/1258535037.db2.gz XEMIOONMPWZOPP-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001085074922 1258570776 /nfs/dbraw/zinc/57/07/76/1258570776.db2.gz ISORTCMGAUBAPR-JZXOWHBKSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085196720 1258626382 /nfs/dbraw/zinc/62/63/82/1258626382.db2.gz KZRLZXUNELRRAG-KFWWJZLASA-N 2 0 364.494 0.498 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166218 1258681986 /nfs/dbraw/zinc/68/19/86/1258681986.db2.gz PPDLVKAWIFEPMF-QGTPRVQTSA-N 2 0 362.518 0.763 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172905 1258692018 /nfs/dbraw/zinc/69/20/18/1258692018.db2.gz JRNATSNATJRESD-KFWWJZLASA-N 2 0 359.474 0.676 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212307 1258734679 /nfs/dbraw/zinc/73/46/79/1258734679.db2.gz BCACKXCZGNIHHS-WBVHZDCISA-N 2 0 358.486 0.888 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212876 1258737676 /nfs/dbraw/zinc/73/76/76/1258737676.db2.gz YIVRPUCUMJHCBY-SQNIBIBYSA-N 2 0 360.506 0.933 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC001331416737 1266213120 /nfs/dbraw/zinc/21/31/20/1266213120.db2.gz WCVPWKZERSBGEU-OAHLLOKOSA-N 2 0 361.490 0.739 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092781999 1258844294 /nfs/dbraw/zinc/84/42/94/1258844294.db2.gz AHJQDIJIXXISDW-GDBMZVCRSA-N 2 0 353.430 0.924 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001100345027 1258908972 /nfs/dbraw/zinc/90/89/72/1258908972.db2.gz MYYPMRFKKQCODA-PFSRBDOWSA-N 2 0 363.462 0.828 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106593949 1258926995 /nfs/dbraw/zinc/92/69/95/1258926995.db2.gz LVQXTGKQHASNNO-ZACQAIPSSA-N 2 0 371.522 0.036 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627112 1258930507 /nfs/dbraw/zinc/93/05/07/1258930507.db2.gz SXJUQLPAOCROLK-HUUCEWRRSA-N 2 0 369.510 0.104 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001106626351 1258930510 /nfs/dbraw/zinc/93/05/10/1258930510.db2.gz DKBWDCRAOBPSPG-RHSMWYFYSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC001106627100 1258930742 /nfs/dbraw/zinc/93/07/42/1258930742.db2.gz SEDKCCWGPWYFRA-SIIHOXLZSA-N 2 0 364.465 0.988 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672250 1258938342 /nfs/dbraw/zinc/93/83/42/1258938342.db2.gz MTQCJELXCTURIE-SJLPKXTDSA-N 2 0 360.502 0.591 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1 ZINC001106779520 1258961163 /nfs/dbraw/zinc/96/11/63/1258961163.db2.gz QELCXLYBHWSTQK-HUUCEWRRSA-N 2 0 367.494 0.784 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874407 1258985099 /nfs/dbraw/zinc/98/50/99/1258985099.db2.gz GRWAGSYJKCWKAF-KBAYOESNSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001106881235 1258986635 /nfs/dbraw/zinc/98/66/35/1258986635.db2.gz ZYZBOLPUBFCMHB-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106881365 1258987653 /nfs/dbraw/zinc/98/76/53/1258987653.db2.gz CQNXSIAHSJBBDH-BPQIPLTHSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106885171 1258988351 /nfs/dbraw/zinc/98/83/51/1258988351.db2.gz VMMCNPZZZOFHTK-ZIAGYGMSSA-N 2 0 361.446 0.393 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106897395 1258991843 /nfs/dbraw/zinc/99/18/43/1258991843.db2.gz DHOLQGXHCMVHRR-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)c1nnnn1C ZINC001107030578 1259020029 /nfs/dbraw/zinc/02/00/29/1259020029.db2.gz MWLALPZHTWPVJU-BZUAXINKSA-N 2 0 363.510 0.831 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC1CC1)CC2 ZINC001107329557 1259054634 /nfs/dbraw/zinc/05/46/34/1259054634.db2.gz ZHTMEXSIIPLXPA-SQGPQFPESA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2)C1CC1 ZINC001107439357 1259090621 /nfs/dbraw/zinc/09/06/21/1259090621.db2.gz XJBNJZBKVXHDMM-IMFGXOCKSA-N 2 0 362.518 0.966 20 0 FCADRP Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609578 1259133592 /nfs/dbraw/zinc/13/35/92/1259133592.db2.gz XSNHISIUWDTIGM-SJLPKXTDSA-N 2 0 364.494 0.254 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12 ZINC001107622952 1259135329 /nfs/dbraw/zinc/13/53/29/1259135329.db2.gz JMFSLOMKDAZQTL-VQIMIIECSA-N 2 0 361.490 0.850 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632179 1259140752 /nfs/dbraw/zinc/14/07/52/1259140752.db2.gz URHNAXYOFBFBAR-SQGPQFPESA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001127643705 1259183344 /nfs/dbraw/zinc/18/33/44/1259183344.db2.gz HMUXDHIISKLWAW-RHSMWYFYSA-N 2 0 364.465 0.830 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)CC[N@@H+]1C ZINC001127701465 1259184098 /nfs/dbraw/zinc/18/40/98/1259184098.db2.gz POYHBESFFISQTC-BBWFWOEESA-N 2 0 366.506 0.060 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001331604043 1266247701 /nfs/dbraw/zinc/24/77/01/1266247701.db2.gz MKSCYNGYYDQSTL-BZSNNMDCSA-N 2 0 374.485 0.247 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084037 1259306349 /nfs/dbraw/zinc/30/63/49/1259306349.db2.gz AKLUZAJXAZIWPC-XHSDSOJGSA-N 2 0 366.510 0.511 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129089693 1259311356 /nfs/dbraw/zinc/31/13/56/1259311356.db2.gz PSJLASJTXOITHQ-CVEARBPZSA-N 2 0 366.510 0.775 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205272 1259344711 /nfs/dbraw/zinc/34/47/11/1259344711.db2.gz RHRQIHFVNJUZSK-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276389 1259364119 /nfs/dbraw/zinc/36/41/19/1259364119.db2.gz HSBPGDGNVCTPRI-CVEARBPZSA-N 2 0 366.510 0.634 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157593772 1259385044 /nfs/dbraw/zinc/38/50/44/1259385044.db2.gz WRGYAONTTAVQNX-XHSDSOJGSA-N 2 0 356.470 0.668 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCOC)C2)CC[N@@H+]1C ZINC001200554720 1259416575 /nfs/dbraw/zinc/41/65/75/1259416575.db2.gz LUEHKEIJEVCBSQ-OKZBNKHCSA-N 2 0 371.522 0.587 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458615 1259513831 /nfs/dbraw/zinc/51/38/31/1259513831.db2.gz LLCZFVJRDKAESB-BRWVUGGUSA-N 2 0 371.522 0.321 20 0 FCADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001235143020 1259567567 /nfs/dbraw/zinc/56/75/67/1259567567.db2.gz GVEJQUOEKKGUMS-UHFFFAOYSA-N 2 0 367.501 0.782 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](Cc1n[nH]c3cc(N)ccc31)C2 ZINC001235335875 1259570953 /nfs/dbraw/zinc/57/09/53/1259570953.db2.gz SMELURRGQWHUID-CEMCJKAASA-N 2 0 355.442 0.976 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC001235547445 1259577557 /nfs/dbraw/zinc/57/75/57/1259577557.db2.gz AZPHELGQEQMKPT-YJBOKZPZSA-N 2 0 363.462 0.195 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001235547442 1259579411 /nfs/dbraw/zinc/57/94/11/1259579411.db2.gz AZPHELGQEQMKPT-QAPCUYQASA-N 2 0 363.462 0.195 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1-n1ccnc1 ZINC001235871826 1259584402 /nfs/dbraw/zinc/58/44/02/1259584402.db2.gz ZEGMFLYNNBPLHP-UHFFFAOYSA-N 2 0 358.490 0.465 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cnc(OC)nc3OC)C[C@H]1C2 ZINC001236026023 1259586159 /nfs/dbraw/zinc/58/61/59/1259586159.db2.gz HYNKGADDFFRDHA-KEIZMWOVSA-N 2 0 362.430 0.324 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235916443 1259586466 /nfs/dbraw/zinc/58/64/66/1259586466.db2.gz JUFMEXWAWJCLGY-ZBFHGGJFSA-N 2 0 358.446 0.271 20 0 FCADRP CCOC(=O)c1n[nH]cc1C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236026935 1259586656 /nfs/dbraw/zinc/58/66/56/1259586656.db2.gz LSGFAOAEZPNKKR-KEIZMWOVSA-N 2 0 362.430 0.417 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3n[nH]c4cc(N)ccc43)C[C@H]1C2 ZINC001236036083 1259587543 /nfs/dbraw/zinc/58/75/43/1259587543.db2.gz RTZSTYLBTJBUAM-CEMCJKAASA-N 2 0 355.442 0.976 20 0 FCADRP Cc1nccn1-c1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310590 1259588376 /nfs/dbraw/zinc/58/83/76/1259588376.db2.gz IBCFEYISHUBMHT-UHFFFAOYSA-N 2 0 358.490 0.797 20 0 FCADRP Cn1c2ccccc2c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1=O ZINC001236310576 1259588394 /nfs/dbraw/zinc/58/83/94/1259588394.db2.gz HMLNABUTCGCUJT-UHFFFAOYSA-N 2 0 359.474 0.154 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001335290808 1259590063 /nfs/dbraw/zinc/59/00/63/1259590063.db2.gz XJGMUFANNFFHIX-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)CC1 ZINC001236434111 1259590053 /nfs/dbraw/zinc/59/00/53/1259590053.db2.gz OGVVSQKDURLLGK-MHORFTMASA-N 2 0 369.506 0.183 20 0 FCADRP [NH3+]CCNC(=O)c1cccc(CN2CCC([NH+]3CCC([NH3+])CC3)CC2)c1 ZINC001236583333 1259591337 /nfs/dbraw/zinc/59/13/37/1259591337.db2.gz MZSNLAWLCIYXJC-UHFFFAOYSA-N 3 0 359.518 0.763 20 0 FCADRP C[NH+]1CCN(c2cccc(C[NH+]3CCC4(CC3)NC(=O)NC4=O)c2)CC1 ZINC001236894656 1259592057 /nfs/dbraw/zinc/59/20/57/1259592057.db2.gz SENGOVXTRGHJLU-UHFFFAOYSA-N 2 0 357.458 0.612 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001239295183 1259624076 /nfs/dbraw/zinc/62/40/76/1259624076.db2.gz GQLVSLPVSGIFHY-UHFFFAOYSA-N 2 0 365.522 0.781 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)N[C@H]1CCCc2ccccc21 ZINC001239297945 1259624390 /nfs/dbraw/zinc/62/43/90/1259624390.db2.gz VWVQBWWXKVSUMD-KRWDZBQOSA-N 2 0 361.490 0.889 20 0 FCADRP COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001244285790 1259638071 /nfs/dbraw/zinc/63/80/71/1259638071.db2.gz YMJDKLGPDXVLIK-UHFFFAOYSA-N 2 0 354.458 0.971 20 0 FCADRP O=C(c1ccc(NC[C@@H](O)CC2(O)CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC001245962636 1259641174 /nfs/dbraw/zinc/64/11/74/1259641174.db2.gz SOAFNBHJDZUZLT-KRWDZBQOSA-N 2 0 362.474 0.009 20 0 FCADRP O[C@@H](C[NH2+]C1(Cc2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008373 1259643124 /nfs/dbraw/zinc/64/31/24/1259643124.db2.gz OZCLQMOGZDWXOI-GOSISDBHSA-N 3 0 365.493 0.946 20 0 FCADRP C[C@](O)(CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCc1ccccc1 ZINC001245986058 1259644298 /nfs/dbraw/zinc/64/42/98/1259644298.db2.gz NZHZMCYOUOIHIR-MJGOQNOKSA-N 2 0 361.486 0.945 20 0 FCADRP O[C@]1(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981016 1259644459 /nfs/dbraw/zinc/64/44/59/1259644459.db2.gz PKFZBNLENLLTBG-TZIWHRDSSA-N 3 0 358.530 0.802 20 0 FCADRP O[C@@H](COc1cccc2ccccc21)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058962 1259646447 /nfs/dbraw/zinc/64/64/47/1259646447.db2.gz XEDYAJQJEYAWRB-LJQANCHMSA-N 2 0 372.513 0.664 20 0 FCADRP COc1ccc(CN2CC[C@@H]([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CC2=O)cc1 ZINC001246085009 1259647985 /nfs/dbraw/zinc/64/79/85/1259647985.db2.gz VJJPNVHVMGOWOL-HHXXYDBFSA-N 2 0 365.449 0.838 20 0 FCADRP COc1cccc(OC)c1C[NH+]1CCC(N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001246153498 1259648379 /nfs/dbraw/zinc/64/83/79/1259648379.db2.gz SDYJFJFKQHPGTR-ICSRJNTNSA-N 2 0 374.485 0.836 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188648 1259650000 /nfs/dbraw/zinc/65/00/00/1259650000.db2.gz ZIIUPIKCZSVNOP-ZIAGYGMSSA-N 2 0 362.478 0.334 20 0 FCADRP COc1ccc(CN2CC[C@H]([N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246580736 1259657691 /nfs/dbraw/zinc/65/76/91/1259657691.db2.gz OGWVKUMTICDRSA-YQQAZPJKSA-N 2 0 363.458 0.446 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(C)(C[NH3+])C1 ZINC001246603491 1259658031 /nfs/dbraw/zinc/65/80/31/1259658031.db2.gz YVGXTMNSBVALJY-ZDUSSCGKSA-N 2 0 362.478 0.273 20 0 FCADRP Fc1cnc(N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)[C@H]2CCC[NH2+]C2)nc1 ZINC001246687319 1259659188 /nfs/dbraw/zinc/65/91/88/1259659188.db2.gz LKQUIAQVPQFNEZ-HFTRVMKXSA-N 2 0 365.453 0.569 20 0 FCADRP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001246696863 1259662545 /nfs/dbraw/zinc/66/25/45/1259662545.db2.gz RTJQSLBRYGQAMC-INIZCTEOSA-N 2 0 374.533 0.968 20 0 FCADRP O=C1[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001246704529 1259664728 /nfs/dbraw/zinc/66/47/28/1259664728.db2.gz HMXHVMGDMDEYNC-BPQIPLTHSA-N 2 0 358.461 0.810 20 0 FCADRP Cn1ccnc1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705050 1259664789 /nfs/dbraw/zinc/66/47/89/1259664789.db2.gz VRMXGKXZOBJAQX-JKSUJKDBSA-N 2 0 360.506 0.232 20 0 FCADRP CC(C)C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335454178 1259668431 /nfs/dbraw/zinc/66/84/31/1259668431.db2.gz WCGDDJCVJKJDTN-BBWFWOEESA-N 2 0 351.495 0.411 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246729859 1259671511 /nfs/dbraw/zinc/67/15/11/1259671511.db2.gz PWTLUTDLGKNUBY-KGLIPLIRSA-N 2 0 358.490 0.420 20 0 FCADRP O=C(c1cnccn1)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737813 1259673461 /nfs/dbraw/zinc/67/34/61/1259673461.db2.gz KATDAMZNBXTZLE-APWZRJJASA-N 2 0 370.501 0.499 20 0 FCADRP O=C(NCc1ccco1)[C@@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736483 1259673731 /nfs/dbraw/zinc/67/37/31/1259673731.db2.gz ZLWAQPLKZHDANE-JOCBIADPSA-N 2 0 374.485 0.184 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743854 1259676704 /nfs/dbraw/zinc/67/67/04/1259676704.db2.gz BNGWSUQNVHYMKM-IEBWSBKVSA-N 2 0 355.486 0.600 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743855 1259676748 /nfs/dbraw/zinc/67/67/48/1259676748.db2.gz BNGWSUQNVHYMKM-MJGOQNOKSA-N 2 0 355.486 0.600 20 0 FCADRP O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753727 1259679392 /nfs/dbraw/zinc/67/93/92/1259679392.db2.gz CNRYYCJDKWCYOT-AZUAARDMSA-N 2 0 369.513 0.990 20 0 FCADRP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246759396 1259681630 /nfs/dbraw/zinc/68/16/30/1259681630.db2.gz KOAPUOOTYQAWSM-XWSJACJDSA-N 2 0 372.517 0.288 20 0 FCADRP c1cnc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756226 1259682750 /nfs/dbraw/zinc/68/27/50/1259682750.db2.gz MUQJVBUYKIKVMP-QFBILLFUSA-N 2 0 358.490 0.242 20 0 FCADRP c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766300 1259686090 /nfs/dbraw/zinc/68/60/90/1259686090.db2.gz MONOWEGBNPQOPS-MWDXBVQZSA-N 2 0 359.474 0.429 20 0 FCADRP C(c1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCCCC1 ZINC001246770324 1259686258 /nfs/dbraw/zinc/68/62/58/1259686258.db2.gz YHGIWTHPKSZEJG-INIZCTEOSA-N 2 0 359.522 0.216 20 0 FCADRP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)ncn1 ZINC001246771574 1259687418 /nfs/dbraw/zinc/68/74/18/1259687418.db2.gz VFVYEYMCPVWBIL-OAHLLOKOSA-N 2 0 370.505 0.643 20 0 FCADRP CCOC(=O)c1ccc(C[C@H](C)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246824959 1259691421 /nfs/dbraw/zinc/69/14/21/1259691421.db2.gz ZXVKYHYDSKLGCU-KRWDZBQOSA-N 2 0 362.518 0.879 20 0 FCADRP O=C1NCN(c2ccc(F)cc2)C12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246875676 1259693226 /nfs/dbraw/zinc/69/32/26/1259693226.db2.gz IVROJDNGPNBUEJ-KRWDZBQOSA-N 2 0 373.476 0.648 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC(N2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246861905 1259693699 /nfs/dbraw/zinc/69/36/99/1259693699.db2.gz RGZVLVWKLSZUBY-MZBDJJRSSA-N 2 0 368.474 0.947 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246924345 1259694136 /nfs/dbraw/zinc/69/41/36/1259694136.db2.gz IEYKAMUONCVZOS-RBUKOAKNSA-N 3 0 361.534 0.466 20 0 FCADRP CCOC(=O)[C@@H]1CC12CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC2 ZINC001246924277 1259695712 /nfs/dbraw/zinc/69/57/12/1259695712.db2.gz HEVPQICNDLMKAL-WUJZJPHMSA-N 3 0 368.522 0.614 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246924346 1259695759 /nfs/dbraw/zinc/69/57/59/1259695759.db2.gz IEYKAMUONCVZOS-RTBURBONSA-N 3 0 361.534 0.466 20 0 FCADRP COc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246946776 1259698084 /nfs/dbraw/zinc/69/80/84/1259698084.db2.gz PFGYSEROHHTZRE-INIZCTEOSA-N 2 0 358.486 0.983 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001335530774 1259701240 /nfs/dbraw/zinc/70/12/40/1259701240.db2.gz PHRYFMPEMPHRMD-UHFFFAOYSA-N 2 0 368.547 0.805 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@@]45C[NH2+]C[C@@H]4CCN5)n3)c2)CC1 ZINC001247834522 1259706018 /nfs/dbraw/zinc/70/60/18/1259706018.db2.gz HUWXNOMJWYOARQ-FXAWDEMLSA-N 2 0 368.485 0.892 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(C45C[NH2+]CC4C[NH2+]C5)n3)cc2)CC1 ZINC001247852407 1259706459 /nfs/dbraw/zinc/70/64/59/1259706459.db2.gz SHPNNSCSRXQZAJ-UHFFFAOYSA-N 3 0 354.458 0.549 20 0 FCADRP COc1nc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1-n1cnc(C)c1 ZINC001247834969 1259707298 /nfs/dbraw/zinc/70/72/98/1259707298.db2.gz LJWZWHFFNNPZRS-LBPRGKRZSA-N 2 0 367.413 0.911 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@@H](O)CN3CCOCC3)c2)CC1 ZINC001251035869 1259734678 /nfs/dbraw/zinc/73/46/78/1259734678.db2.gz PZCAEPWKMKWFQV-HXUWFJFHSA-N 2 0 362.518 0.217 20 0 FCADRP CCOC[C@H](O)C[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001252031802 1259776133 /nfs/dbraw/zinc/77/61/33/1259776133.db2.gz FCFHVTDQZZARLW-HXUWFJFHSA-N 2 0 368.566 0.560 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001253185309 1259826993 /nfs/dbraw/zinc/82/69/93/1259826993.db2.gz QFJHFWOQEOJHEW-YRXWBPOGSA-N 2 0 367.534 0.896 20 0 FCADRP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335791165 1259840887 /nfs/dbraw/zinc/84/08/87/1259840887.db2.gz SGFUYHUVUNSKPG-UKRRQHHQSA-N 2 0 362.478 0.173 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001253864344 1259859884 /nfs/dbraw/zinc/85/98/84/1259859884.db2.gz TWWJLYHVKXURGE-MOPGFXCFSA-N 2 0 365.566 0.498 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001253864351 1259860375 /nfs/dbraw/zinc/86/03/75/1259860375.db2.gz TWWJLYHVKXURGE-OALUTQOASA-N 2 0 365.566 0.498 20 0 FCADRP O=C1COC2(CC[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)CN1 ZINC001254040421 1259868591 /nfs/dbraw/zinc/86/85/91/1259868591.db2.gz SSZCOOCKXCIXKL-UHFFFAOYSA-N 2 0 373.497 0.995 20 0 FCADRP COC(=O)CNC(=O)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254052655 1259869949 /nfs/dbraw/zinc/86/99/49/1259869949.db2.gz QBPNOCAGBVSQAW-HNNXBMFYSA-N 2 0 363.458 0.281 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)[C@@H]2CCCOC2)C1 ZINC001254368284 1259879420 /nfs/dbraw/zinc/87/94/20/1259879420.db2.gz OIRJGHDRKSVYTN-MULDDASSSA-N 2 0 373.538 0.934 20 0 FCADRP CC(=O)N1CCC(N2Cc3nccn3C[C@H](C[NH+]3CCN(C)CC3)C2)CC1 ZINC001254426127 1259882997 /nfs/dbraw/zinc/88/29/97/1259882997.db2.gz RVJSDABPMHYYEH-SFHVURJKSA-N 2 0 374.533 0.573 20 0 FCADRP COC(=O)[C@H](CCCC[NH2+][C@H]1CCC[N@H+](C)CC1)NC(=O)CNC(C)=O ZINC001254513863 1259887721 /nfs/dbraw/zinc/88/77/21/1259887721.db2.gz GPZRYKHWMBHGCE-HOTGVXAUSA-N 2 0 370.494 0.025 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)C2CCOCC2)C1 ZINC001255033357 1259903494 /nfs/dbraw/zinc/90/34/94/1259903494.db2.gz ARSXQKJQUAEQRR-PEJOBZMASA-N 2 0 373.538 0.934 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)[C@H]2CC[N@H+](C)C2)C1 ZINC001255424652 1259911890 /nfs/dbraw/zinc/91/18/90/1259911890.db2.gz ZKRVZRFIJXOUTL-UGDFAFBOSA-N 3 0 372.554 0.460 20 0 FCADRP COC(=O)CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001258370247 1260046306 /nfs/dbraw/zinc/04/63/06/1260046306.db2.gz HFWYQCCSUBXWFQ-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC2([NH3+])CC2)CC1 ZINC001336239676 1260054582 /nfs/dbraw/zinc/05/45/82/1260054582.db2.gz HYAJXUUNPXKXHA-UHFFFAOYSA-N 2 0 361.490 0.950 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCCC[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC001336253820 1260058810 /nfs/dbraw/zinc/05/88/10/1260058810.db2.gz YRRIOHIHNXAQRB-GVDBMIGSSA-N 2 0 365.522 0.808 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCN(C)C(C)(C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001336459449 1260134976 /nfs/dbraw/zinc/13/49/76/1260134976.db2.gz XIODSDPUFFWABV-UHFFFAOYSA-N 2 0 372.469 0.764 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC001261452280 1260141065 /nfs/dbraw/zinc/14/10/65/1260141065.db2.gz YVBGMVKJNTWJIW-QGZVFWFLSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC001336802305 1260226863 /nfs/dbraw/zinc/22/68/63/1260226863.db2.gz VABJTHZTWRPEJG-CRAIPNDOSA-N 2 0 358.527 0.878 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001262031420 1260247746 /nfs/dbraw/zinc/24/77/46/1260247746.db2.gz QWOSWTYGIVLOHF-MRXNPFEDSA-N 2 0 367.538 0.565 20 0 FCADRP CCOC(=O)c1cnccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262030780 1260247861 /nfs/dbraw/zinc/24/78/61/1260247861.db2.gz WIRCGVYQOIYLRG-MRXNPFEDSA-N 2 0 362.474 0.889 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC001336943569 1260262469 /nfs/dbraw/zinc/26/24/69/1260262469.db2.gz YCYKIWVTFXPBML-DLBZAZTESA-N 2 0 355.527 0.158 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001337077874 1260303114 /nfs/dbraw/zinc/30/31/14/1260303114.db2.gz MICVNEYAEARSHJ-IAGOWNOFSA-N 2 0 350.507 0.289 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001262564146 1260327634 /nfs/dbraw/zinc/32/76/34/1260327634.db2.gz ZZBBOVOCWCPCRL-HZPDHXFCSA-N 2 0 367.490 0.669 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)c2ccccc2)CC1 ZINC001263103054 1260341359 /nfs/dbraw/zinc/34/13/59/1260341359.db2.gz MPWUZBMKJPWUOM-ICSRJNTNSA-N 2 0 360.502 0.596 20 0 FCADRP C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001264554275 1260380131 /nfs/dbraw/zinc/38/01/31/1260380131.db2.gz IWMUFVYHLAQLLH-HIFRSBDPSA-N 2 0 356.430 0.583 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337602729 1260437569 /nfs/dbraw/zinc/43/75/69/1260437569.db2.gz ZLEIAVPOIXVVBO-KRWDZBQOSA-N 2 0 359.474 0.193 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@@H]2C1 ZINC001337805831 1260488938 /nfs/dbraw/zinc/48/89/38/1260488938.db2.gz OKDKZLCVNANEKF-HRCADAONSA-N 3 0 363.506 0.622 20 0 FCADRP CN1CCO[C@@H](C(=O)N2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217991 1260627041 /nfs/dbraw/zinc/62/70/41/1260627041.db2.gz PCFJFLKQXCHHOF-IEBWSBKVSA-N 2 0 361.490 0.528 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249416 1260635659 /nfs/dbraw/zinc/63/56/59/1260635659.db2.gz VFGYFXKDMHISET-KSZLIROESA-N 2 0 364.534 0.977 20 0 FCADRP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2ccnc2)C1 ZINC001273254815 1260637759 /nfs/dbraw/zinc/63/77/59/1260637759.db2.gz MEQILOLHAAQCPB-KURKYZTESA-N 2 0 361.490 0.527 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC001278464022 1260695168 /nfs/dbraw/zinc/69/51/68/1260695168.db2.gz QEAGZPMIIFIJSA-IKGGRYGDSA-N 2 0 367.490 0.156 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278464021 1260695363 /nfs/dbraw/zinc/69/53/63/1260695363.db2.gz QEAGZPMIIFIJSA-GVDBMIGSSA-N 2 0 367.490 0.156 20 0 FCADRP O=C1CC[C@@H](C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472466 1260695629 /nfs/dbraw/zinc/69/56/29/1260695629.db2.gz NMLVXHUGTDMRJB-USXIJHARSA-N 2 0 360.502 0.720 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(CCN3C(=O)Cn3cccnc3=O)C2)CC1 ZINC001279498215 1260880413 /nfs/dbraw/zinc/88/04/13/1260880413.db2.gz AKWUNGBIELBQSA-UHFFFAOYSA-N 2 0 359.474 0.262 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](Cc2cc[nH]c(=O)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279570095 1260894229 /nfs/dbraw/zinc/89/42/29/1260894229.db2.gz SCRJHPOGUZULBC-LJQANCHMSA-N 2 0 361.490 0.505 20 0 FCADRP C[NH+](C)CCN1CCN(CC(C)(C)C[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279590715 1260896860 /nfs/dbraw/zinc/89/68/60/1260896860.db2.gz HYLXOEAIKJBXRL-HXUWFJFHSA-N 2 0 367.582 0.792 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025613 1260980512 /nfs/dbraw/zinc/98/05/12/1260980512.db2.gz GBBQPGZFXPCDBO-ABFRBSLYSA-N 2 0 367.490 0.485 20 0 FCADRP C[NH+]1CCC(N2C[C@@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H](C2)O3)CC1 ZINC001280070015 1260989333 /nfs/dbraw/zinc/98/93/33/1260989333.db2.gz IDQSAVJRIGECSL-OTWHNJEPSA-N 2 0 362.518 0.477 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCOC(C)C)CC3)[C@@H]2C1 ZINC001280082369 1260993889 /nfs/dbraw/zinc/99/38/89/1260993889.db2.gz JXSGOKXVUAXDAA-IAGOWNOFSA-N 2 0 369.506 0.544 20 0 FCADRP C[C@@H]1Cc2nnc(C(=O)N3CC=CC3)n2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001280125129 1261010616 /nfs/dbraw/zinc/01/06/16/1261010616.db2.gz DNLCRQYZQCEULN-OAHLLOKOSA-N 2 0 358.490 0.879 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCn2ccnn2)CC1 ZINC001280126245 1261011953 /nfs/dbraw/zinc/01/19/53/1261011953.db2.gz USAOXVQVCFVNQU-VSZNYVQBSA-N 2 0 360.506 0.740 20 0 FCADRP CCn1ccnc1C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@@H]2C1 ZINC001280188433 1261025396 /nfs/dbraw/zinc/02/53/96/1261025396.db2.gz GNSWSACRILRSCK-ARFHVFGLSA-N 2 0 361.490 0.296 20 0 FCADRP C[NH+](C)CCC[NH+]1CCC2(CCN(C(=O)Cn3cccnc3=O)C2)CC1 ZINC001280219930 1261038240 /nfs/dbraw/zinc/03/82/40/1261038240.db2.gz ZTOJJLMXZRRBDD-UHFFFAOYSA-N 2 0 361.490 0.510 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)[C@H]2C1 ZINC001280227943 1261040201 /nfs/dbraw/zinc/04/02/01/1261040201.db2.gz MDKYPMCXYZELAT-PMPSAXMXSA-N 2 0 357.454 0.969 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852028 1261234779 /nfs/dbraw/zinc/23/47/79/1261234779.db2.gz OMMUUHJCZKZNFL-HUUCEWRRSA-N 2 0 366.506 0.012 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001281857447 1261238390 /nfs/dbraw/zinc/23/83/90/1261238390.db2.gz NLTXRYFAIDOPFQ-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC001281899220 1261268332 /nfs/dbraw/zinc/26/83/32/1261268332.db2.gz QQVHXOIZXJJBGS-RYRKJORJSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O)[NH+](C)C ZINC001281911701 1261279811 /nfs/dbraw/zinc/27/98/11/1261279811.db2.gz UVARMTNRCRWCFE-IKGGRYGDSA-N 2 0 368.522 0.135 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001282298423 1261407135 /nfs/dbraw/zinc/40/71/35/1261407135.db2.gz WHFMVAPERHLYMD-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001332512488 1266420890 /nfs/dbraw/zinc/42/08/90/1266420890.db2.gz YGCPTHKTZQBHAP-INIZCTEOSA-N 2 0 363.510 0.849 20 0 FCADRP [NH3+]CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001580318262 1278119226 /nfs/dbraw/zinc/11/92/26/1278119226.db2.gz LNHBOOKQJIXNQO-MRXNPFEDSA-N 2 0 364.494 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580322848 1278123129 /nfs/dbraw/zinc/12/31/29/1278123129.db2.gz WEMYAPIMQNUYIH-HZSPNIEDSA-N 2 0 370.461 0.142 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580322783 1278123763 /nfs/dbraw/zinc/12/37/63/1278123763.db2.gz TYWKSRKXSNFVGI-XOKHGSTOSA-N 2 0 369.473 0.755 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001289499607 1262224329 /nfs/dbraw/zinc/22/43/29/1262224329.db2.gz KIFZHITVQIJHNF-NCOADZHNSA-N 2 0 370.538 0.501 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)C1 ZINC001289735952 1262328102 /nfs/dbraw/zinc/32/81/02/1262328102.db2.gz DWCZINZVRPVMIO-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(NC3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208987 1263136243 /nfs/dbraw/zinc/13/62/43/1263136243.db2.gz RVLGOHLULFGGAJ-MSOLQXFVSA-N 2 0 361.490 0.433 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+]CCCCn2cc(C(N)=O)nn2)CC1 ZINC001308815810 1263219235 /nfs/dbraw/zinc/21/92/35/1263219235.db2.gz QFTJBJLPGHKIBZ-UHFFFAOYSA-N 2 0 364.494 0.780 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001479511619 1263235586 /nfs/dbraw/zinc/23/55/86/1263235586.db2.gz SHOMJGSKXZJBNC-BHYGNILZSA-N 2 0 351.495 0.681 20 0 FCADRP [NH3+][C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001580380304 1278195659 /nfs/dbraw/zinc/19/56/59/1278195659.db2.gz QDORMOXGXQVZOU-CQSZACIVSA-N 2 0 359.478 0.657 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001479667837 1263322413 /nfs/dbraw/zinc/32/24/13/1263322413.db2.gz ZPLBMUFJBNPZQG-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001479670167 1263328915 /nfs/dbraw/zinc/32/89/15/1263328915.db2.gz RUENNHWPKJAXKC-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001316708230 1263432338 /nfs/dbraw/zinc/43/23/38/1263432338.db2.gz MHUYTBLPIVIFDM-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632320 1263517778 /nfs/dbraw/zinc/51/77/78/1263517778.db2.gz SWEGPUOLZBTYMB-NXHRZFHOSA-N 2 0 360.502 0.857 20 0 FCADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001487189257 1263594090 /nfs/dbraw/zinc/59/40/90/1263594090.db2.gz CAIHIJUEAMLQBT-JJRVBVJISA-N 2 0 350.507 0.774 20 0 FCADRP NC(=O)C1CCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC001318851357 1263615391 /nfs/dbraw/zinc/61/53/91/1263615391.db2.gz ODTJBHBUEQLGEC-UHFFFAOYSA-N 2 0 366.506 0.287 20 0 FCADRP C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001319493363 1263699701 /nfs/dbraw/zinc/69/97/01/1263699701.db2.gz FJYQLDGGYZMZGO-PMACEKPBSA-N 2 0 366.550 0.580 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CCCN2CCCC2=O)C2CC2)CC[N@@H+]1C ZINC001493372169 1263718897 /nfs/dbraw/zinc/71/88/97/1263718897.db2.gz HRQIUGOCLDZUSP-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP NC(=O)C[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CC(N)=O)C3)COC2)C1 ZINC001320115397 1263763938 /nfs/dbraw/zinc/76/39/38/1263763938.db2.gz FEDBOQLHCZRRDN-HZPDHXFCSA-N 2 0 366.506 0.178 20 0 FCADRP CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCC2)C1=O ZINC001495915534 1263842489 /nfs/dbraw/zinc/84/24/89/1263842489.db2.gz UZAPOCKOYZZNOT-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC001320952844 1263885737 /nfs/dbraw/zinc/88/57/37/1263885737.db2.gz OMAVHHLGBDPFNJ-KBPBESRZSA-N 2 0 362.478 0.687 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001580387729 1278211077 /nfs/dbraw/zinc/21/10/77/1278211077.db2.gz FBZXWRQQBOTHKR-DGCLKSJQSA-N 2 0 363.491 0.864 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C12CCC[NH+]1CCC2 ZINC001496770948 1263892924 /nfs/dbraw/zinc/89/29/24/1263892924.db2.gz CGEKCWIHTQCWGI-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001321423394 1263958035 /nfs/dbraw/zinc/95/80/35/1263958035.db2.gz VLGYYKRHVRHESO-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001499356856 1264024566 /nfs/dbraw/zinc/02/45/66/1264024566.db2.gz KDLJQEKXRGIKLP-KSZLIROESA-N 2 0 361.486 0.578 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580386224 1278211304 /nfs/dbraw/zinc/21/13/04/1278211304.db2.gz PMUJFNHDFVHAJF-BLYZHGLHSA-N 2 0 370.461 0.425 20 0 FCADRP Cc1nccn1C[C@H](C)CNC(=O)C(=O)NCc1ccn2ccnc2c1 ZINC001321774518 1264058726 /nfs/dbraw/zinc/05/87/26/1264058726.db2.gz ZHZTVTYRDGWXSU-CYBMUJFWSA-N 2 0 354.414 0.908 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)COC1 ZINC001321806574 1264068391 /nfs/dbraw/zinc/06/83/91/1264068391.db2.gz QXYMGMPKWPSABA-WCVJEAGWSA-N 2 0 366.506 0.012 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C=CCCC1 ZINC001322001389 1264126742 /nfs/dbraw/zinc/12/67/42/1264126742.db2.gz GXAFDFWHECAHFO-KRWDZBQOSA-N 2 0 371.485 0.935 20 0 FCADRP CCOCc1nnc(N2CC[NH+](CC)[C@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503112650 1264194004 /nfs/dbraw/zinc/19/40/04/1264194004.db2.gz IXLJJEKCBFBZPQ-QAPCUYQASA-N 2 0 366.510 0.412 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CCC[NH+]1C ZINC001511855327 1264595989 /nfs/dbraw/zinc/59/59/89/1264595989.db2.gz WUIIMLAFVMTHKI-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001324566305 1264671944 /nfs/dbraw/zinc/67/19/44/1264671944.db2.gz ZBTZGGOBVKXIBZ-IAGOWNOFSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC001325412473 1264878768 /nfs/dbraw/zinc/87/87/68/1264878768.db2.gz BEESBPICVXZXDD-WBVHZDCISA-N 2 0 373.501 0.250 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580405805 1278242640 /nfs/dbraw/zinc/24/26/40/1278242640.db2.gz JDENLIMUMDPNJG-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OC2CCC2)CC1 ZINC001326123446 1265061946 /nfs/dbraw/zinc/06/19/46/1265061946.db2.gz OHXKYNKNFDTMLS-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001580406519 1278243581 /nfs/dbraw/zinc/24/35/81/1278243581.db2.gz NFSNZRUUFJLHMK-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001326287812 1265093925 /nfs/dbraw/zinc/09/39/25/1265093925.db2.gz LOFRJJBWDRAQGH-DLBZAZTESA-N 2 0 357.458 0.506 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001513404959 1265105130 /nfs/dbraw/zinc/10/51/30/1265105130.db2.gz RENMQSDZEDRBDK-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1cn3c(n1)CCCC3)C2 ZINC001326602318 1265140276 /nfs/dbraw/zinc/14/02/76/1265140276.db2.gz SFMZYUCGWMNJQG-LIRRHRJNSA-N 2 0 359.474 0.466 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326608324 1265141435 /nfs/dbraw/zinc/14/14/35/1265141435.db2.gz PLBOGFHDOSURLS-BXWFABGCSA-N 2 0 366.506 0.143 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC001326968111 1265209302 /nfs/dbraw/zinc/20/93/02/1265209302.db2.gz JUFBPFMVJSCKEJ-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001327104189 1265235908 /nfs/dbraw/zinc/23/59/08/1265235908.db2.gz FGEYJJUMKORRSB-DLBZAZTESA-N 2 0 363.506 0.513 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001514148893 1265327679 /nfs/dbraw/zinc/32/76/79/1265327679.db2.gz BYYWTPAHKYVZDT-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001327465931 1265331804 /nfs/dbraw/zinc/33/18/04/1265331804.db2.gz RNIXEJJKFNRMSK-IAGOWNOFSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC001333282381 1266570581 /nfs/dbraw/zinc/57/05/81/1266570581.db2.gz RCMBHZXMIYTBID-SFHVURJKSA-N 2 0 357.502 0.752 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001580418087 1278273157 /nfs/dbraw/zinc/27/31/57/1278273157.db2.gz YTVKNDRMVKEYBN-GFCCVEGCSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006131 1266774584 /nfs/dbraw/zinc/77/45/84/1266774584.db2.gz SNBAOXIKCLOLFB-YVSFHVDLSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+][C@H]1C[C@@H](c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCCC2)C1 ZINC001580426222 1278284783 /nfs/dbraw/zinc/28/47/83/1278284783.db2.gz SINIDNUANGXWKO-OKILXGFUSA-N 2 0 352.508 0.147 20 0 FCADRP C[C@@H](NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001334211934 1266888031 /nfs/dbraw/zinc/88/80/31/1266888031.db2.gz BUCJZASWFMGYOO-CVEARBPZSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099756 1266943722 /nfs/dbraw/zinc/94/37/22/1266943722.db2.gz FGUJMXJOIYCCKR-MSOLQXFVSA-N 2 0 363.550 0.251 20 0 FCADRP C[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001334406421 1266984454 /nfs/dbraw/zinc/98/44/54/1266984454.db2.gz QGCWBBZBZLPSQJ-YTQUADARSA-N 2 0 370.497 0.960 20 0 FCADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C[C@]1(O)CCOC1 ZINC001334658750 1267126133 /nfs/dbraw/zinc/12/61/33/1267126133.db2.gz AHMJJXFIIGXUQH-RTBURBONSA-N 2 0 356.507 0.713 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1 ZINC001335141182 1267359415 /nfs/dbraw/zinc/35/94/15/1267359415.db2.gz IBRCJQCCZHMHTM-JEZWAEDTSA-N 2 0 374.485 0.706 20 0 FCADRP Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001543224370 1267533263 /nfs/dbraw/zinc/53/32/63/1267533263.db2.gz AGLGLXLWRGBJTE-HKUYNNGSSA-N 2 0 362.522 0.965 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCOCC1 ZINC001548474109 1267720843 /nfs/dbraw/zinc/72/08/43/1267720843.db2.gz SASKIXWXYITNGJ-PVAVHDDUSA-N 2 0 366.506 0.095 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC1=O ZINC001549073010 1267798943 /nfs/dbraw/zinc/79/89/43/1267798943.db2.gz AFJUQCRYOFCOCR-WDEREUQCSA-N 2 0 351.476 0.308 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC001338300755 1267904126 /nfs/dbraw/zinc/90/41/26/1267904126.db2.gz KSFWEYWYOTXLTB-UHFFFAOYSA-N 2 0 359.434 0.161 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1n1ccnn1 ZINC001549554823 1267954136 /nfs/dbraw/zinc/95/41/36/1267954136.db2.gz WNQKZSFUEIKSAX-QBPKDAKJSA-N 2 0 361.494 0.792 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001338517873 1267969207 /nfs/dbraw/zinc/96/92/07/1267969207.db2.gz GUIIIOHYYRLHBA-IBGZPJMESA-N 2 0 365.522 0.857 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001549723272 1267978320 /nfs/dbraw/zinc/97/83/20/1267978320.db2.gz XPEGCMLFXCJDLE-JHJVBQTASA-N 2 0 358.364 0.836 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)C1(n2cccn2)CC[NH2+]CC1 ZINC001549723648 1267979224 /nfs/dbraw/zinc/97/92/24/1267979224.db2.gz LCIUEQBXGGCVQQ-MRXNPFEDSA-N 2 0 370.457 0.414 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3C(F)(F)F)n2)C1 ZINC001549726198 1267979960 /nfs/dbraw/zinc/97/99/60/1267979960.db2.gz DOXJYTURSDBSKY-WXHSDQCUSA-N 2 0 357.380 0.633 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@@H](n4ccnn4)[C@@H]([NH3+])C3)C2)cc1 ZINC001549756510 1267990099 /nfs/dbraw/zinc/99/00/99/1267990099.db2.gz SZYAJTMONUYUAI-OKZBNKHCSA-N 2 0 369.473 0.755 20 0 FCADRP O=C(N[C@@H]1CCc2n[nH]cc2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338592393 1267997590 /nfs/dbraw/zinc/99/75/90/1267997590.db2.gz YLCPASLJNAYCQK-OIISXLGYSA-N 2 0 358.490 0.877 20 0 FCADRP CC1(C)CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CCO ZINC001338682493 1268040506 /nfs/dbraw/zinc/04/05/06/1268040506.db2.gz JHNNBKNJSMUTCO-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP Cc1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC001550073990 1268068943 /nfs/dbraw/zinc/06/89/43/1268068943.db2.gz YQYQFZZESQNOOE-SJORKVTESA-N 2 0 354.458 0.996 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@]2([NH3+])CCN(C(C)=O)C2)CC1 ZINC001550085283 1268072370 /nfs/dbraw/zinc/07/23/70/1268072370.db2.gz DZCYNGALWYVECU-GOSISDBHSA-N 2 0 352.479 0.040 20 0 FCADRP Cc1c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)nnn1[C@@H]1CC[NH2+]C1 ZINC001550098180 1268073660 /nfs/dbraw/zinc/07/36/60/1268073660.db2.gz OTYNFHTYWDGYSP-OAHLLOKOSA-N 2 0 358.450 0.836 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C)C[C@@H]2[NH3+])cc1 ZINC001550110071 1268074706 /nfs/dbraw/zinc/07/47/06/1268074706.db2.gz SJRQVYUNUCVADW-PVAVHDDUSA-N 2 0 370.457 0.696 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550199474 1268091032 /nfs/dbraw/zinc/09/10/32/1268091032.db2.gz BNRZENUSIZUTKT-SJORKVTESA-N 2 0 362.518 0.955 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC001550199448 1268091362 /nfs/dbraw/zinc/09/13/62/1268091362.db2.gz DWRGOCBDRTYZBM-YOEHRIQHSA-N 2 0 356.430 0.608 20 0 FCADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550481435 1268126515 /nfs/dbraw/zinc/12/65/15/1268126515.db2.gz IGOFEGOLZFEYNL-NEPXVJNWSA-N 2 0 352.523 0.220 20 0 FCADRP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541032 1268129558 /nfs/dbraw/zinc/12/95/58/1268129558.db2.gz PKJIDULFMAPSTR-DLBZAZTESA-N 2 0 358.490 0.399 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@@H]2C1 ZINC001550567950 1268134198 /nfs/dbraw/zinc/13/41/98/1268134198.db2.gz BTFAVEVAZMRZKN-CABLIKTCSA-N 2 0 374.529 0.443 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NCC(=O)N[C@@H]4C3)C2)cc1 ZINC001550751829 1268161573 /nfs/dbraw/zinc/16/15/73/1268161573.db2.gz ROGWHFVLYSYMCJ-OKZBNKHCSA-N 2 0 371.485 0.441 20 0 FCADRP Cc1ccc2nc(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)cc(=O)n2c1 ZINC001550911609 1268182938 /nfs/dbraw/zinc/18/29/38/1268182938.db2.gz DXIDOIOPPXVKKD-OXJNMPFZSA-N 2 0 369.469 0.739 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1ccccc1F ZINC001550911005 1268183033 /nfs/dbraw/zinc/18/30/33/1268183033.db2.gz CUJSTIDUQVLBFK-LPHOPBHVSA-N 2 0 362.449 0.678 20 0 FCADRP CC1CCC(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001550914707 1268183834 /nfs/dbraw/zinc/18/38/34/1268183834.db2.gz ZBHAPLBAXRJUQF-HOUAELIMSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC001550914367 1268184141 /nfs/dbraw/zinc/18/41/41/1268184141.db2.gz UEBVHBNHBSNUMM-YOEHRIQHSA-N 2 0 350.488 0.601 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC001550913261 1268184510 /nfs/dbraw/zinc/18/45/10/1268184510.db2.gz NISSLVIIUXABLP-QFBILLFUSA-N 2 0 350.507 0.919 20 0 FCADRP CNC(=O)[C@]12C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@@H]1COCC2 ZINC001551427901 1268245094 /nfs/dbraw/zinc/24/50/94/1268245094.db2.gz VCTGNEQPTMXVGX-DNVCBOLYSA-N 2 0 366.506 0.060 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001551497367 1268262080 /nfs/dbraw/zinc/26/20/80/1268262080.db2.gz LWKGNJZJWCWEKX-UHFFFAOYSA-N 2 0 353.511 0.224 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CC1 ZINC001551547719 1268264648 /nfs/dbraw/zinc/26/46/48/1268264648.db2.gz YEKPRLLQPBOTCV-GJZGRUSLSA-N 2 0 364.412 0.627 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551554516 1268266758 /nfs/dbraw/zinc/26/67/58/1268266758.db2.gz KHRZIVZJQGQDQU-IPYPFGDCSA-N 2 0 373.448 0.177 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001551555741 1268267213 /nfs/dbraw/zinc/26/72/13/1268267213.db2.gz ONTYRSYMSZJPKZ-KNCOVGOOSA-N 2 0 355.458 0.023 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001551555189 1268267557 /nfs/dbraw/zinc/26/75/57/1268267557.db2.gz MQMZTEVJGLOWTO-DNNBLBMLSA-N 2 0 351.495 0.260 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556691 1268268905 /nfs/dbraw/zinc/26/89/05/1268268905.db2.gz SPBVEJUSTBPVMI-YQQAZPJKSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551560023 1268270982 /nfs/dbraw/zinc/27/09/82/1268270982.db2.gz HKFJRASBJJRZMM-WBVHZDCISA-N 2 0 365.522 0.664 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551568571 1268273340 /nfs/dbraw/zinc/27/33/40/1268273340.db2.gz JMTWJPVJUOMSMN-NVXWUHKLSA-N 2 0 351.495 0.417 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551574922 1268274207 /nfs/dbraw/zinc/27/42/07/1268274207.db2.gz DTPXEPLQPAEOGJ-JLJPHGGASA-N 2 0 351.495 0.404 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551575731 1268275183 /nfs/dbraw/zinc/27/51/83/1268275183.db2.gz GVHNIQFEUTYJJH-PKOBYXMFSA-N 2 0 371.485 0.736 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551579643 1268277996 /nfs/dbraw/zinc/27/79/96/1268277996.db2.gz OSDCQQJTMTVBKA-YQQAZPJKSA-N 2 0 365.522 0.805 20 0 FCADRP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001551583707 1268278317 /nfs/dbraw/zinc/27/83/17/1268278317.db2.gz WJPDFYXNCXSVOQ-INMHGKMJSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551582105 1268278569 /nfs/dbraw/zinc/27/85/69/1268278569.db2.gz TUGNHBAPTBKFQJ-QRTARXTBSA-N 2 0 351.495 0.274 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551585362 1268280109 /nfs/dbraw/zinc/28/01/09/1268280109.db2.gz ATUZEOSQUKVIKA-KBEGMRNHSA-N 2 0 365.522 0.757 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597060 1268281817 /nfs/dbraw/zinc/28/18/17/1268281817.db2.gz UOCWPELLJAEWOA-SJLPKXTDSA-N 2 0 365.522 0.807 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597049 1268282010 /nfs/dbraw/zinc/28/20/10/1268282010.db2.gz UOCWPELLJAEWOA-FUHWJXTLSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)[NH2+]C1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001339896252 1268362309 /nfs/dbraw/zinc/36/23/09/1268362309.db2.gz PUGOSXCUVXWURQ-UHFFFAOYSA-N 2 0 350.511 0.954 20 0 FCADRP COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001339935123 1268377468 /nfs/dbraw/zinc/37/74/68/1268377468.db2.gz ZDMQNOXYJBRUFI-OAHLLOKOSA-N 2 0 360.458 0.778 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552154723 1268395507 /nfs/dbraw/zinc/39/55/07/1268395507.db2.gz PUVPLSXFDWNJKH-IAGOWNOFSA-N 2 0 350.507 0.681 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH+](C3CCCC3)CC2)nn1 ZINC001552166548 1268397460 /nfs/dbraw/zinc/39/74/60/1268397460.db2.gz GVBSUYCKBKADMQ-RDJZCZTQSA-N 2 0 362.478 0.067 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cnn1C ZINC001552168267 1268400749 /nfs/dbraw/zinc/40/07/49/1268400749.db2.gz QZCPWPPLEAXWHM-RYQLBKOJSA-N 2 0 361.490 0.212 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@@H+]1CCOC ZINC001552179587 1268404166 /nfs/dbraw/zinc/40/41/66/1268404166.db2.gz LECXYNOGZWXBRQ-KBAYOESNSA-N 2 0 363.506 0.601 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cnn1C ZINC001552181598 1268405259 /nfs/dbraw/zinc/40/52/59/1268405259.db2.gz VBQDKXRBNLBMDS-WNRNVDISSA-N 2 0 361.490 0.089 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199597 1268407061 /nfs/dbraw/zinc/40/70/61/1268407061.db2.gz AVDYRPQFUKNLGH-XLIONFOSSA-N 2 0 359.470 0.496 20 0 FCADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC[NH+](Cc2ccccc2)CC1 ZINC001552205526 1268409769 /nfs/dbraw/zinc/40/97/69/1268409769.db2.gz ZQDJGMVBGAFXQZ-YLJYHZDGSA-N 3 0 358.486 0.332 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)CC1 ZINC001552210487 1268411311 /nfs/dbraw/zinc/41/13/11/1268411311.db2.gz ANDZHSQMYZNUDG-HOCLYGCPSA-N 2 0 364.494 0.313 20 0 FCADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001552225483 1268417051 /nfs/dbraw/zinc/41/70/51/1268417051.db2.gz UPHLWCJUAIABCL-WCVJEAGWSA-N 2 0 362.478 0.089 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234459 1268417898 /nfs/dbraw/zinc/41/78/98/1268417898.db2.gz BYBLWKYXHFLYBM-NVXWUHKLSA-N 2 0 369.473 0.970 20 0 FCADRP Cc1c(C(=O)NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)nnn1[C@H]1CC[NH2+]C1 ZINC001552442752 1268465650 /nfs/dbraw/zinc/46/56/50/1268465650.db2.gz VHLKGICUSIEWGJ-HOCLYGCPSA-N 2 0 371.445 0.187 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606553 1268489256 /nfs/dbraw/zinc/48/92/56/1268489256.db2.gz CGBFXMVBSYPCBC-OAGGEKHMSA-N 2 0 363.510 0.895 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001552611527 1268491635 /nfs/dbraw/zinc/49/16/35/1268491635.db2.gz HHCOUOSQSDDKID-ULQDDVLXSA-N 2 0 363.510 0.895 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552692672 1268521828 /nfs/dbraw/zinc/52/18/28/1268521828.db2.gz GSJVYCXBCWMZAR-ZDUSSCGKSA-N 2 0 374.411 0.443 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CCOCC1 ZINC001552696109 1268523166 /nfs/dbraw/zinc/52/31/66/1268523166.db2.gz FTNJVWLGAQMADE-UKRRQHHQSA-N 2 0 350.467 0.561 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CCOCC1 ZINC001552696106 1268523657 /nfs/dbraw/zinc/52/36/57/1268523657.db2.gz FTNJVWLGAQMADE-HIFRSBDPSA-N 2 0 350.467 0.561 20 0 FCADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@@H]21 ZINC001552698803 1268524074 /nfs/dbraw/zinc/52/40/74/1268524074.db2.gz VAJFKFORAVFQKG-HOCLYGCPSA-N 2 0 359.474 0.717 20 0 FCADRP [NH3+][C@@H]1CCCC[C@@H]1n1cc(C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@H]32)nn1 ZINC001552697807 1268524288 /nfs/dbraw/zinc/52/42/88/1268524288.db2.gz PRLRLXRJGGSMOM-TXCZRRACSA-N 2 0 374.489 0.561 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C(F)F)C[C@@H]12 ZINC001552836326 1268557051 /nfs/dbraw/zinc/55/70/51/1268557051.db2.gz CLIBYCUNYBXDIO-MVWJERBFSA-N 2 0 354.405 0.950 20 0 FCADRP CN1CCO[C@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C1 ZINC001552839165 1268557178 /nfs/dbraw/zinc/55/71/78/1268557178.db2.gz FXNFQLUSYUVTMU-LLVKDONJSA-N 2 0 358.393 0.201 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC001552844171 1268558268 /nfs/dbraw/zinc/55/82/68/1268558268.db2.gz JPCOCGPRKWKZDQ-LVQVYYBASA-N 2 0 362.861 0.413 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001340486434 1268564563 /nfs/dbraw/zinc/56/45/63/1268564563.db2.gz NBTVLPSQGVDBPS-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001340485627 1268564696 /nfs/dbraw/zinc/56/46/96/1268564696.db2.gz UKIGMQCUZTXFBJ-LSDHHAIUSA-N 2 0 369.535 0.205 20 0 FCADRP O=C(N[C@H]1CCO[C@H]1C1CC[NH2+]CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552914846 1268565149 /nfs/dbraw/zinc/56/51/49/1268565149.db2.gz APLSUCKJMAUHOZ-WMZOPIPTSA-N 2 0 359.474 0.378 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(CN3CC[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924532 1268566673 /nfs/dbraw/zinc/56/66/73/1268566673.db2.gz CBHHVNBVBJYRLP-RTBURBONSA-N 2 0 364.534 0.931 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCO[C@@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957735 1268569689 /nfs/dbraw/zinc/56/96/89/1268569689.db2.gz JEIATRPKBPQDQO-FGTMMUONSA-N 2 0 365.522 0.175 20 0 FCADRP Cn1cc([C@@H]2[C@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976180 1268571217 /nfs/dbraw/zinc/57/12/17/1268571217.db2.gz OPOVONCGQKJUML-YJBOKZPZSA-N 2 0 362.522 0.413 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)C2 ZINC001552996894 1268574909 /nfs/dbraw/zinc/57/49/09/1268574909.db2.gz WSWJLJFYGNFOKL-ZMMAXQRCSA-N 2 0 368.522 0.222 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COc2ccccc2C1 ZINC001340696071 1268625963 /nfs/dbraw/zinc/62/59/63/1268625963.db2.gz CKASHHWHHILBNX-MRXNPFEDSA-N 2 0 362.474 0.058 20 0 FCADRP O=C([C@H]1C[C@H](c2ccccc2)C[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001553355138 1268636599 /nfs/dbraw/zinc/63/65/99/1268636599.db2.gz TYCLQYLSRTXEBD-CEXWTWQISA-N 2 0 370.497 0.803 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@@H]2C1 ZINC001553385269 1268643093 /nfs/dbraw/zinc/64/30/93/1268643093.db2.gz ZVOZHTYZWGXVFJ-FZKQIMNGSA-N 2 0 364.877 0.727 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C[C@H]2[NH3+])c1 ZINC001553513396 1268661221 /nfs/dbraw/zinc/66/12/21/1268661221.db2.gz ZCDYRYXMIKJZSX-USXIJHARSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C[C@@H]3F)n2)C1 ZINC001553545137 1268666797 /nfs/dbraw/zinc/66/67/97/1268666797.db2.gz BZSVUOHDIQJYPS-VHDGCEQUSA-N 2 0 350.442 0.508 20 0 FCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001553545555 1268667433 /nfs/dbraw/zinc/66/74/33/1268667433.db2.gz DEMBZRHUDQEFMT-LISAXSMJSA-N 2 0 363.506 0.321 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C[C@H]1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553553612 1268669907 /nfs/dbraw/zinc/66/99/07/1268669907.db2.gz VXUPBFXCMWTLAP-TWMKSMIVSA-N 3 0 353.486 0.687 20 0 FCADRP CC[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCO[C@H](CC)C1 ZINC001340922522 1268711171 /nfs/dbraw/zinc/71/11/71/1268711171.db2.gz MIGUTUJVHUIADQ-BRWVUGGUSA-N 2 0 368.522 0.722 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1n1ccnn1 ZINC001553829968 1268724062 /nfs/dbraw/zinc/72/40/62/1268724062.db2.gz MXCKVXDFWWVGAH-HZPDHXFCSA-N 2 0 352.402 0.486 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1n1ccnn1 ZINC001553829964 1268724453 /nfs/dbraw/zinc/72/44/53/1268724453.db2.gz MXCKVXDFWWVGAH-CVEARBPZSA-N 2 0 352.402 0.486 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001341099557 1268784086 /nfs/dbraw/zinc/78/40/86/1268784086.db2.gz ZDSTZIFBAALAES-ZBFHGGJFSA-N 2 0 350.463 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1=O ZINC001341549499 1269072815 /nfs/dbraw/zinc/07/28/15/1269072815.db2.gz JTYAJKNGQJYIDU-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001342084308 1269339422 /nfs/dbraw/zinc/33/94/22/1269339422.db2.gz CNFJUGBRNPUDHT-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001342091604 1269342722 /nfs/dbraw/zinc/34/27/22/1269342722.db2.gz YUTGYPRQJIFLTK-DLBZAZTESA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001342091606 1269342987 /nfs/dbraw/zinc/34/29/87/1269342987.db2.gz YUTGYPRQJIFLTK-IAGOWNOFSA-N 2 0 368.522 0.281 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037536 1269405048 /nfs/dbraw/zinc/40/50/48/1269405048.db2.gz OIOBTCXPTJPQAC-DLBZAZTESA-N 2 0 355.527 0.016 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001342470403 1269483937 /nfs/dbraw/zinc/48/39/37/1269483937.db2.gz ZGNPNQUHNBSODS-VQTJNVASSA-N 2 0 374.529 0.859 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001342470401 1269484021 /nfs/dbraw/zinc/48/40/21/1269484021.db2.gz ZGNPNQUHNBSODS-PMACEKPBSA-N 2 0 374.529 0.859 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001565866024 1269498491 /nfs/dbraw/zinc/49/84/91/1269498491.db2.gz VNMHWSDLTXOEFG-AAVRWANBSA-N 2 0 365.503 0.906 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001343013484 1269729642 /nfs/dbraw/zinc/72/96/42/1269729642.db2.gz FWWAYTXMKYUFAZ-ARFHVFGLSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1OC ZINC001343015600 1269731480 /nfs/dbraw/zinc/73/14/80/1269731480.db2.gz UVGUEVUOLYCUEX-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC001572819340 1270190629 /nfs/dbraw/zinc/19/06/29/1270190629.db2.gz KXCQGJNFWPEULR-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O)C1CCC1 ZINC001572828533 1270208378 /nfs/dbraw/zinc/20/83/78/1270208378.db2.gz IWTRCKKASZSDPW-IAGOWNOFSA-N 2 0 371.441 0.120 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001573044087 1270562489 /nfs/dbraw/zinc/56/24/89/1270562489.db2.gz LUUBJXBYVZGUJM-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1OCC ZINC001573217308 1270687667 /nfs/dbraw/zinc/68/76/67/1270687667.db2.gz WUDLLDRLRPNXBL-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CCOCc1nnc(N2CC[NH2+]CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001573803407 1270886142 /nfs/dbraw/zinc/88/61/42/1270886142.db2.gz YVIBNEUGSWRGSL-MRXNPFEDSA-N 2 0 354.524 0.662 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1(C2(O)C[NH2+]C2)CCC1 ZINC001580634907 1278597528 /nfs/dbraw/zinc/59/75/28/1278597528.db2.gz GVLRVQWYXSZCJC-UHFFFAOYSA-N 2 0 351.491 0.642 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573977461 1270972170 /nfs/dbraw/zinc/97/21/70/1270972170.db2.gz NTYIFAAENXTQKL-WFASDCNBSA-N 2 0 360.466 0.577 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573977957 1270972357 /nfs/dbraw/zinc/97/23/57/1270972357.db2.gz RXZKAVJRIAQRJI-CVEARBPZSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574019807 1270999244 /nfs/dbraw/zinc/99/92/44/1270999244.db2.gz RDHFAOWHFOQCAQ-JKSUJKDBSA-N 2 0 374.493 0.823 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574210209 1271099648 /nfs/dbraw/zinc/09/96/48/1271099648.db2.gz IRJPDYNKYCZWER-INIZCTEOSA-N 2 0 372.477 0.935 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574261781 1271137229 /nfs/dbraw/zinc/13/72/29/1271137229.db2.gz LKLFYZWDFHHRLC-UHFFFAOYSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574288226 1271163515 /nfs/dbraw/zinc/16/35/15/1271163515.db2.gz GNBWAPAQCPGXOS-OAHLLOKOSA-N 2 0 370.461 0.617 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543190 1271327524 /nfs/dbraw/zinc/32/75/24/1271327524.db2.gz GXHKVFQRJLJMLV-QWHCGFSZSA-N 2 0 360.466 0.719 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574670958 1271473603 /nfs/dbraw/zinc/47/36/03/1271473603.db2.gz HIBCLIMTZFVIJW-IUODEOHRSA-N 2 0 360.466 0.577 20 0 FCADRP C(CC[NH+]1CCOCC1)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCOCC1 ZINC001574817178 1271558623 /nfs/dbraw/zinc/55/86/23/1271558623.db2.gz ROAAXAUSQHGGEB-INIZCTEOSA-N 2 0 364.494 0.652 20 0 FCADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853773 1271603772 /nfs/dbraw/zinc/60/37/72/1271603772.db2.gz FAXHLXINFXLGOU-ZDUSSCGKSA-N 2 0 370.461 0.476 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574854451 1271605896 /nfs/dbraw/zinc/60/58/96/1271605896.db2.gz MNDFJBRVQNIIFV-ZDUSSCGKSA-N 2 0 355.446 0.557 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870884 1271620945 /nfs/dbraw/zinc/62/09/45/1271620945.db2.gz DYDRXZPWFUYXAM-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870693 1271622939 /nfs/dbraw/zinc/62/29/39/1271622939.db2.gz CTDYRYNZTRBANZ-ABAIWWIYSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895993 1271656526 /nfs/dbraw/zinc/65/65/26/1271656526.db2.gz BESAWWYZLIXICE-RYUDHWBXSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001575403175 1272053972 /nfs/dbraw/zinc/05/39/72/1272053972.db2.gz VLTQHIOGMMQWSX-KGLIPLIRSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2cnn[nH]2)CC1 ZINC001575421289 1272083560 /nfs/dbraw/zinc/08/35/60/1272083560.db2.gz SMJCWOILZIRVQQ-HNNXBMFYSA-N 2 0 350.467 0.121 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001575443249 1272113837 /nfs/dbraw/zinc/11/38/37/1272113837.db2.gz YDBHNTWPAVYBMC-QGZVFWFLSA-N 2 0 354.495 0.236 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC12CC[NH+]([C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)CC2 ZINC001575524987 1272178304 /nfs/dbraw/zinc/17/83/04/1272178304.db2.gz XISONDVIVOIBDB-XHSDSOJGSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001575682483 1272294770 /nfs/dbraw/zinc/29/47/70/1272294770.db2.gz PUPBPRLJSHKUCH-SOUVJXGZSA-N 2 0 363.510 0.490 20 0 FCADRP C[C@@H]([NH2+]CCc1cn[nH]n1)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688687 1272300437 /nfs/dbraw/zinc/30/04/37/1272300437.db2.gz BSPZSOVJZUWFDI-HUUCEWRRSA-N 2 0 374.493 0.246 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695975 1272314527 /nfs/dbraw/zinc/31/45/27/1272314527.db2.gz KQLVFXBKMNEDNL-PBHICJAKSA-N 2 0 364.494 0.775 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC(C)(C)[NH3+] ZINC001575713176 1272353772 /nfs/dbraw/zinc/35/37/72/1272353772.db2.gz SQMNNDDVIICEBY-KGLIPLIRSA-N 2 0 363.510 0.827 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001575717768 1272365455 /nfs/dbraw/zinc/36/54/55/1272365455.db2.gz QQODIFZRTJFFEX-AWEZNQCLSA-N 2 0 352.483 0.319 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC2(C1)CC[NH2+]C2 ZINC001580687054 1278713184 /nfs/dbraw/zinc/71/31/84/1278713184.db2.gz GXFORCSPPOVFMQ-UHFFFAOYSA-N 2 0 357.502 0.809 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001576044986 1272770281 /nfs/dbraw/zinc/77/02/81/1272770281.db2.gz JJOBEYISXUTLMI-CHWSQXEVSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001576052340 1272781186 /nfs/dbraw/zinc/78/11/86/1272781186.db2.gz KYNKOPAWPQQOJG-STQMWFEESA-N 2 0 368.445 0.181 20 0 FCADRP C[C@@H](Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN2C(=O)CC[C@@H]2C1)[NH+](C)C ZINC001576070406 1272832304 /nfs/dbraw/zinc/83/23/04/1272832304.db2.gz JUZRFWZCYQGOAK-ZNMIVQPWSA-N 2 0 361.494 0.464 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576115287 1272908116 /nfs/dbraw/zinc/90/81/16/1272908116.db2.gz OHQQHZOLNBWFSJ-STQMWFEESA-N 2 0 370.461 0.617 20 0 FCADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576144323 1272958392 /nfs/dbraw/zinc/95/83/92/1272958392.db2.gz XORQLGFZFCICIC-GJZGRUSLSA-N 2 0 374.493 0.103 20 0 FCADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCN(S(C)(=O)=O)CC1 ZINC001576243386 1273017225 /nfs/dbraw/zinc/01/72/25/1273017225.db2.gz BQPLDRMXXUEBOX-GDBMZVCRSA-N 2 0 359.536 0.795 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576247347 1273025741 /nfs/dbraw/zinc/02/57/41/1273025741.db2.gz OJJROHAVZBHDJQ-CJNGLKHVSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576249360 1273029091 /nfs/dbraw/zinc/02/90/91/1273029091.db2.gz XKBNHMKXMVBGKU-DGCLKSJQSA-N 2 0 363.491 0.816 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254732 1273036721 /nfs/dbraw/zinc/03/67/21/1273036721.db2.gz FAYGTZQGAPOZGW-KGLIPLIRSA-N 2 0 372.477 0.530 20 0 FCADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001576257475 1273043148 /nfs/dbraw/zinc/04/31/48/1273043148.db2.gz AYPFJCXCMAKVAI-CXAGYDPISA-N 2 0 358.483 0.049 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491018 1273344050 /nfs/dbraw/zinc/34/40/50/1273344050.db2.gz RMMXOEGVHXKQKJ-IUODEOHRSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576497935 1273355675 /nfs/dbraw/zinc/35/56/75/1273355675.db2.gz ICWMPTQWEJYRBR-UKRRQHHQSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576498335 1273357435 /nfs/dbraw/zinc/35/74/35/1273357435.db2.gz KKVSAGPWVMLMSW-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501130 1273365513 /nfs/dbraw/zinc/36/55/13/1273365513.db2.gz VFZBQOSXBGFDFL-UKRRQHHQSA-N 2 0 372.477 0.853 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557682 1273436706 /nfs/dbraw/zinc/43/67/06/1273436706.db2.gz SRTJVGMIJOTPLW-HOTGVXAUSA-N 2 0 362.478 0.181 20 0 FCADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576767082 1273641282 /nfs/dbraw/zinc/64/12/82/1273641282.db2.gz KJLKEDYNPYXMEV-DOMZBBRYSA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576767084 1273643718 /nfs/dbraw/zinc/64/37/18/1273643718.db2.gz KJLKEDYNPYXMEV-SWLSCSKDSA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576785445 1273676018 /nfs/dbraw/zinc/67/60/18/1273676018.db2.gz LYDOTSUYKGGGHN-HNNXBMFYSA-N 2 0 369.473 0.947 20 0 FCADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576785448 1273677379 /nfs/dbraw/zinc/67/73/79/1273677379.db2.gz LYDOTSUYKGGGHN-OAHLLOKOSA-N 2 0 369.473 0.947 20 0 FCADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576815316 1273732898 /nfs/dbraw/zinc/73/28/98/1273732898.db2.gz DLGSLBAKIHVTAG-CYBMUJFWSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823431 1273746510 /nfs/dbraw/zinc/74/65/10/1273746510.db2.gz MNARFOGCLCTFGQ-GXTWGEPZSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824098 1273747955 /nfs/dbraw/zinc/74/79/55/1273747955.db2.gz QETGUMDACGRPOI-CYBMUJFWSA-N 2 0 374.493 0.968 20 0 FCADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824598 1273748171 /nfs/dbraw/zinc/74/81/71/1273748171.db2.gz SJAYMKNNXPGIDI-QWHCGFSZSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847535 1273792879 /nfs/dbraw/zinc/79/28/79/1273792879.db2.gz GGXIJEDMSFCDIL-HEHGZKQESA-N 2 0 372.477 0.721 20 0 FCADRP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CCc3cn[nH]n3)CCOCC2)CC1 ZINC001576875357 1273851918 /nfs/dbraw/zinc/85/19/18/1273851918.db2.gz FNOCXNISHFFFSE-UHFFFAOYSA-N 2 0 364.494 0.334 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882440 /nfs/dbraw/zinc/88/24/40/1273882440.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 0 368.485 0.883 20 0 FCADRP COCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCc1c[nH]nn1 ZINC001576999210 1274033618 /nfs/dbraw/zinc/03/36/18/1274033618.db2.gz GLDOXQCOAROIIG-UHFFFAOYSA-N 2 0 364.494 0.288 20 0 FCADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026561 1274082130 /nfs/dbraw/zinc/08/21/30/1274082130.db2.gz GACUWWIHRMIUIG-CABCVRRESA-N 2 0 366.510 0.676 20 0 FCADRP Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@H]32)ccc2c[nH+]cn21 ZINC001577237246 1274270110 /nfs/dbraw/zinc/27/01/10/1274270110.db2.gz AUXHELDUTNKAHW-FVQHAEBGSA-N 2 0 351.414 0.664 20 0 FCADRP CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH2+][C@H](C)C1 ZINC001577445328 1274411243 /nfs/dbraw/zinc/41/12/43/1274411243.db2.gz NAHGEQGEBXCVAR-OAHLLOKOSA-N 2 0 365.526 0.946 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551179 1274490456 /nfs/dbraw/zinc/49/04/56/1274490456.db2.gz QBBDRVRCBBVSKB-BLLLJJGKSA-N 2 0 372.477 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551184 1274491647 /nfs/dbraw/zinc/49/16/47/1274491647.db2.gz QBBDRVRCBBVSKB-MLGOLLRUSA-N 2 0 372.477 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577555089 1274496761 /nfs/dbraw/zinc/49/67/61/1274496761.db2.gz XQZCGDLDNUEXBJ-UKRRQHHQSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577554511 1274497642 /nfs/dbraw/zinc/49/76/42/1274497642.db2.gz SPYYVIAZAWDSMA-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577556592 1274498020 /nfs/dbraw/zinc/49/80/20/1274498020.db2.gz AXJKQHXQAAYKJZ-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577556813 1274498844 /nfs/dbraw/zinc/49/88/44/1274498844.db2.gz IRMRFZHLHZZMBV-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558218 1274502832 /nfs/dbraw/zinc/50/28/32/1274502832.db2.gz DJJWKROACHNNMR-HIFRSBDPSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577559098 1274503733 /nfs/dbraw/zinc/50/37/33/1274503733.db2.gz RQCYIPJGQKLWEJ-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563172 1274516790 /nfs/dbraw/zinc/51/67/90/1274516790.db2.gz MLEGYZPVXZHOSR-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577565244 1274520050 /nfs/dbraw/zinc/52/00/50/1274520050.db2.gz LKSSGEUDWDLWPU-HDJSIYSDSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577673007 1274704460 /nfs/dbraw/zinc/70/44/60/1274704460.db2.gz GBGZZZDGFDMKLO-HNNXBMFYSA-N 2 0 358.450 0.476 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577684748 1274738374 /nfs/dbraw/zinc/73/83/74/1274738374.db2.gz JEVXDBYGMPQCHA-FZKCQIBNSA-N 2 0 357.520 0.199 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH2+]CC1 ZINC001577697264 1274762027 /nfs/dbraw/zinc/76/20/27/1274762027.db2.gz FUSVYEIPZBLWQK-OAHLLOKOSA-N 2 0 363.510 0.654 20 0 FCADRP CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704253 1274765219 /nfs/dbraw/zinc/76/52/19/1274765219.db2.gz ILNKZPUGPLGUBJ-DZGCQCFKSA-N 2 0 353.463 0.755 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@H]1C ZINC001577760597 1274844164 /nfs/dbraw/zinc/84/41/64/1274844164.db2.gz YRHUUTWIPICRNE-ILXRZTDVSA-N 2 0 363.510 0.887 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H]([NH2+]C)C2)C1 ZINC001577764072 1274848672 /nfs/dbraw/zinc/84/86/72/1274848672.db2.gz PROXFBFFJQBKEQ-GJZGRUSLSA-N 2 0 356.478 0.875 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3C[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775993 1274866611 /nfs/dbraw/zinc/86/66/11/1274866611.db2.gz UWYRXHJHKRMOPS-MSOLQXFVSA-N 2 0 361.538 0.802 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH2+]C)C[C@@H]1C ZINC001577780948 1274875599 /nfs/dbraw/zinc/87/55/99/1274875599.db2.gz HRNZVISHNVIBMV-GJZGRUSLSA-N 2 0 363.510 0.652 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@H]1C ZINC001577782303 1274876111 /nfs/dbraw/zinc/87/61/11/1274876111.db2.gz YTXLRYXWUYMHPO-CABCVRRESA-N 2 0 373.509 0.452 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CCC(O)(C[NH2+]CCc2cn[nH]n2)CC1 ZINC001577827342 1274937622 /nfs/dbraw/zinc/93/76/22/1274937622.db2.gz ASSRUOSYKTVWED-UHFFFAOYSA-N 2 0 364.494 0.166 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852367 1274995341 /nfs/dbraw/zinc/99/53/41/1274995341.db2.gz PKFYSRRQMKTZBZ-CQSZACIVSA-N 2 0 372.477 0.888 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860679 1275025874 /nfs/dbraw/zinc/02/58/74/1275025874.db2.gz YRFDCDJSMYAWIT-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577863491 1275037704 /nfs/dbraw/zinc/03/77/04/1275037704.db2.gz WOEOPKGSEYUYGJ-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001577865327 1275040895 /nfs/dbraw/zinc/04/08/95/1275040895.db2.gz JWXKHTNBBMMGGT-ZNMIVQPWSA-N 2 0 363.510 0.758 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001577866349 1275042685 /nfs/dbraw/zinc/04/26/85/1275042685.db2.gz FKIWQLGJFYSYDC-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577867246 1275049332 /nfs/dbraw/zinc/04/93/32/1275049332.db2.gz YLJKMLHBUASXNW-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577869484 1275052503 /nfs/dbraw/zinc/05/25/03/1275052503.db2.gz FBQIXHIYGJBUDG-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577869667 1275056049 /nfs/dbraw/zinc/05/60/49/1275056049.db2.gz NFDCRPWCHRNLDE-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577883373 1275086388 /nfs/dbraw/zinc/08/63/88/1275086388.db2.gz ZNKOVXCLQDFJHG-UONOGXRCSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888175 1275093495 /nfs/dbraw/zinc/09/34/95/1275093495.db2.gz FLHSXMLHRZEBGA-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949507 1275171158 /nfs/dbraw/zinc/17/11/58/1275171158.db2.gz JZVIBHWBYJQDLI-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950140 1275172493 /nfs/dbraw/zinc/17/24/93/1275172493.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577958485 1275181630 /nfs/dbraw/zinc/18/16/30/1275181630.db2.gz RPAXPZKCMRBGMT-CQSZACIVSA-N 2 0 372.477 0.854 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@H](C)C1 ZINC001578108080 1275410556 /nfs/dbraw/zinc/41/05/56/1275410556.db2.gz NVBJXFFNXJZZGJ-CVEARBPZSA-N 2 0 353.507 0.744 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)CC1 ZINC001578216154 1275508620 /nfs/dbraw/zinc/50/86/20/1275508620.db2.gz ZHIUFRMIFLOZMJ-AWEZNQCLSA-N 2 0 371.493 0.899 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219541 1275516066 /nfs/dbraw/zinc/51/60/66/1275516066.db2.gz MNLFSMSZEBMMLH-CJNGLKHVSA-N 2 0 372.477 0.783 20 0 FCADRP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2[NH2+]1 ZINC001578324163 1275670339 /nfs/dbraw/zinc/67/03/39/1275670339.db2.gz HKYOOSNTVNQPAB-IKGGRYGDSA-N 2 0 362.522 0.995 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001578397582 1275771844 /nfs/dbraw/zinc/77/18/44/1275771844.db2.gz RGJXDHINBDKCKB-HUUCEWRRSA-N 2 0 353.511 0.616 20 0 FCADRP C[NH+](C)[C@]1(Cn2c([C@@H]3CCC[NH2+]3)nnc2N2CCOCC2)CCSC1 ZINC001578411828 1275783267 /nfs/dbraw/zinc/78/32/67/1275783267.db2.gz YAQKTBJLPMMGSD-YOEHRIQHSA-N 2 0 366.535 0.977 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NC[C@H]2COCC[NH2+]2)c1-c1ccccc1 ZINC001578419288 1275787079 /nfs/dbraw/zinc/78/70/79/1275787079.db2.gz PWRIUAZXAPETLD-INIZCTEOSA-N 2 0 357.458 0.830 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578421720 1275789893 /nfs/dbraw/zinc/78/98/93/1275789893.db2.gz YDSZSZQLDFNEET-KFWWJZLASA-N 2 0 374.445 0.542 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578444457 1275834676 /nfs/dbraw/zinc/83/46/76/1275834676.db2.gz SCUMMFNAFZBJPM-HEHGZKQESA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446727 1275834765 /nfs/dbraw/zinc/83/47/65/1275834765.db2.gz FIDJPKCLFWTYMV-DVOMOZLQSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447760 1275840967 /nfs/dbraw/zinc/84/09/67/1275840967.db2.gz VVIMISMRTFBYGJ-VNHYZAJKSA-N 2 0 372.477 0.933 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447464 1275842296 /nfs/dbraw/zinc/84/22/96/1275842296.db2.gz SNNZSBQAJNSRPF-VNHYZAJKSA-N 2 0 372.477 0.933 20 0 FCADRP C[N@H+](CCCNC(=O)NCc1cn(C2C[NH2+]C2)nn1)Cc1ccccc1 ZINC001578468134 1275880615 /nfs/dbraw/zinc/88/06/15/1275880615.db2.gz GXWFSJZFFNYLRH-UHFFFAOYSA-N 2 0 357.462 0.744 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCC[NH3+] ZINC001578471828 1275884856 /nfs/dbraw/zinc/88/48/56/1275884856.db2.gz OFPSQIMARYQTMM-UHFFFAOYSA-N 2 0 374.493 0.631 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578525605 1275957569 /nfs/dbraw/zinc/95/75/69/1275957569.db2.gz JPXSKZXRQJEQEA-RDTXWAMCSA-N 2 0 357.462 0.192 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528125 1275960142 /nfs/dbraw/zinc/96/01/42/1275960142.db2.gz DMMSFJAQQXPOMV-ROUUACIJSA-N 2 0 356.470 0.638 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529658 1275961900 /nfs/dbraw/zinc/96/19/00/1275961900.db2.gz WXJRTFUKHRZWRR-GJZGRUSLSA-N 2 0 351.495 0.323 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001578533418 1275964926 /nfs/dbraw/zinc/96/49/26/1275964926.db2.gz GTBCIGUMOXCSFX-SFHVURJKSA-N 2 0 355.486 0.744 20 0 FCADRP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001578578150 1276011757 /nfs/dbraw/zinc/01/17/57/1276011757.db2.gz DGXJJFBRTUKICC-BARDWOONSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001578653140 1276104552 /nfs/dbraw/zinc/10/45/52/1276104552.db2.gz TZTANWOKAIJLLT-INIZCTEOSA-N 2 0 359.474 0.764 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)C1 ZINC001578669918 1276123721 /nfs/dbraw/zinc/12/37/21/1276123721.db2.gz UJYCLHRSBOZUNA-GJZGRUSLSA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+]C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+](C)C)C1 ZINC001578673385 1276124817 /nfs/dbraw/zinc/12/48/17/1276124817.db2.gz RFDLSRDRWCGKBN-LSDHHAIUSA-N 2 0 363.510 0.396 20 0 FCADRP C[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001578719984 1276194112 /nfs/dbraw/zinc/19/41/12/1276194112.db2.gz AJXCCEMSCGGAGM-OAHLLOKOSA-N 2 0 374.493 0.057 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC001578749741 1276231135 /nfs/dbraw/zinc/23/11/35/1276231135.db2.gz GTVHFTVAJPRPQK-PNESKVBLSA-N 2 0 354.476 0.781 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N[C@@H]3CC[NH2+]C[C@H]3O)CCCC2)CC1 ZINC001578941725 1276483856 /nfs/dbraw/zinc/48/38/56/1276483856.db2.gz XQEMOBNQIPDHJC-HZPDHXFCSA-N 2 0 354.495 0.432 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578962284 1276506208 /nfs/dbraw/zinc/50/62/08/1276506208.db2.gz MJUIFGYXNUJVLA-GFCCVEGCSA-N 2 0 356.434 0.181 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC1 ZINC001578965136 1276507800 /nfs/dbraw/zinc/50/78/00/1276507800.db2.gz RBDJAYINVYVGCO-HNNXBMFYSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578974742 1276522396 /nfs/dbraw/zinc/52/23/96/1276522396.db2.gz RPEIIZOZCBIRQG-CQSZACIVSA-N 2 0 361.425 0.648 20 0 FCADRP COCC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[NH2+]CC1 ZINC001578975692 1276526340 /nfs/dbraw/zinc/52/63/40/1276526340.db2.gz VEMANEINSGVBAY-SJORKVTESA-N 2 0 353.507 0.887 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578976824 1276529893 /nfs/dbraw/zinc/52/98/93/1276529893.db2.gz GLSGZSIXROQTQQ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578977070 1276531958 /nfs/dbraw/zinc/53/19/58/1276531958.db2.gz JHGXRZGTDMUNOA-UHFFFAOYSA-N 2 0 357.462 0.853 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578977407 1276532188 /nfs/dbraw/zinc/53/21/88/1276532188.db2.gz NWLWLPAJUJXRIM-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578978108 1276535658 /nfs/dbraw/zinc/53/56/58/1276535658.db2.gz DVCLMZRJYWFPMR-QWHCGFSZSA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578979172 1276539076 /nfs/dbraw/zinc/53/90/76/1276539076.db2.gz WTDSOCVDKKDDQT-GOSISDBHSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCC(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578980977 1276541883 /nfs/dbraw/zinc/54/18/83/1276541883.db2.gz RSARRCQDJWBAIP-UHFFFAOYSA-N 2 0 358.450 0.334 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578985650 1276553632 /nfs/dbraw/zinc/55/36/32/1276553632.db2.gz MRLDBNIGOUGIGW-GOSISDBHSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987528 1276557591 /nfs/dbraw/zinc/55/75/91/1276557591.db2.gz IIBFRHLULXHVKK-CQSZACIVSA-N 2 0 372.477 0.936 20 0 FCADRP COC[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001578990554 1276563952 /nfs/dbraw/zinc/56/39/52/1276563952.db2.gz ZHSSMVKBLKIPOW-OAGGEKHMSA-N 2 0 366.510 0.547 20 0 FCADRP C[N@H+](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001579007231 1276578956 /nfs/dbraw/zinc/57/89/56/1276578956.db2.gz QCONNPFDVUWDKD-CQSZACIVSA-N 2 0 370.461 0.571 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC001579020673 1276599722 /nfs/dbraw/zinc/59/97/22/1276599722.db2.gz HNHOKXLFNHWHAV-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C[NH3+])C1 ZINC001579022229 1276601034 /nfs/dbraw/zinc/60/10/34/1276601034.db2.gz USCROJRZWLPDLO-OAHLLOKOSA-N 2 0 361.494 0.647 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037169 1276620325 /nfs/dbraw/zinc/62/03/25/1276620325.db2.gz IRELVHVIISYJGC-BZUAXINKSA-N 2 0 354.495 0.047 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCC[NH3+])C[C@@H]1C ZINC001579039094 1276624082 /nfs/dbraw/zinc/62/40/82/1276624082.db2.gz QXWVXNNAYIOLEJ-INIZCTEOSA-N 2 0 373.505 0.770 20 0 FCADRP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001579118228 1276791809 /nfs/dbraw/zinc/79/18/09/1276791809.db2.gz XLKMSJBSWKGFSG-UHFFFAOYSA-N 2 0 370.461 0.642 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001579120485 1276793442 /nfs/dbraw/zinc/79/34/42/1276793442.db2.gz FUESTKDREOTVRB-WNRNVDISSA-N 2 0 362.474 0.155 20 0 FCADRP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579131557 1276822195 /nfs/dbraw/zinc/82/21/95/1276822195.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 2 0 357.462 0.709 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001579133404 1276830087 /nfs/dbraw/zinc/83/00/87/1276830087.db2.gz XZKPOCLQASANKF-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CCC[NH+]1CCC2 ZINC001579150666 1276885033 /nfs/dbraw/zinc/88/50/33/1276885033.db2.gz HZSHVTIEZHEBBN-UHFFFAOYSA-N 2 0 370.461 0.785 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169140 1276920309 /nfs/dbraw/zinc/92/03/09/1276920309.db2.gz MJKOBUPJDXZMIE-OAHLLOKOSA-N 2 0 361.425 0.648 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170011 1276923790 /nfs/dbraw/zinc/92/37/90/1276923790.db2.gz WUOMOQZJGDTMQO-OAHLLOKOSA-N 2 0 361.425 0.648 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001579215159 1277010740 /nfs/dbraw/zinc/01/07/40/1277010740.db2.gz ZITJKTYWJYZGRC-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326305 1277148713 /nfs/dbraw/zinc/14/87/13/1277148713.db2.gz JJNHDTSKYOEIHN-OLZOCXBDSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579326598 1277149952 /nfs/dbraw/zinc/14/99/52/1277149952.db2.gz KTYLOENEQNQVRD-GFCCVEGCSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326823 1277151649 /nfs/dbraw/zinc/15/16/49/1277151649.db2.gz MUYAKKOZHLDLQR-RDJZCZTQSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCC2)C1 ZINC001579331280 1277159789 /nfs/dbraw/zinc/15/97/89/1277159789.db2.gz BVRBSOPQOXGINP-HNNXBMFYSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331359 1277160189 /nfs/dbraw/zinc/16/01/89/1277160189.db2.gz AUXZVINJRJZYOI-SJORKVTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331242 1277160354 /nfs/dbraw/zinc/16/03/54/1277160354.db2.gz BNQKZXQVIIYDGW-CYBMUJFWSA-N 2 0 373.436 0.696 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331793 1277161475 /nfs/dbraw/zinc/16/14/75/1277161475.db2.gz FQWMVIYYTTVQIC-IAGOWNOFSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331693 1277162922 /nfs/dbraw/zinc/16/29/22/1277162922.db2.gz GPYIXTPUKBFDOS-SJORKVTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)C1 ZINC001579331886 1277163747 /nfs/dbraw/zinc/16/37/47/1277163747.db2.gz IIAISSVLUMRNNY-MRXNPFEDSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333191 1277165185 /nfs/dbraw/zinc/16/51/85/1277165185.db2.gz OTQLCWRINTWVIA-WFASDCNBSA-N 2 0 372.477 0.578 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332882 1277165866 /nfs/dbraw/zinc/16/58/66/1277165866.db2.gz MHUWIEOKDYMLJH-LPHOPBHVSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579332533 1277166217 /nfs/dbraw/zinc/16/62/17/1277166217.db2.gz LEUSXEJROZNMDY-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333735 1277168936 /nfs/dbraw/zinc/16/89/36/1277168936.db2.gz SNJAXOHZDYTLDV-IRXDYDNUSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333860 1277169242 /nfs/dbraw/zinc/16/92/42/1277169242.db2.gz SNAVQMYJUXHRFK-QFBILLFUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334436 1277170742 /nfs/dbraw/zinc/17/07/42/1277170742.db2.gz FCIMPIQZVAAFDV-HSWBROFVSA-N 2 0 373.436 0.720 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579334854 1277172990 /nfs/dbraw/zinc/17/29/90/1277172990.db2.gz IGHAJYDNDSUMMQ-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579335810 1277177630 /nfs/dbraw/zinc/17/76/30/1277177630.db2.gz VMRPCPINUNXUOR-UHFFFAOYSA-N 2 0 369.473 0.757 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC1CC[NH+](C)CC1 ZINC001579340431 1277185300 /nfs/dbraw/zinc/18/53/00/1277185300.db2.gz XVXASQIZECVRKH-UHFFFAOYSA-N 2 0 372.477 0.888 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579340019 1277185971 /nfs/dbraw/zinc/18/59/71/1277185971.db2.gz PGUADOVBQQYYFH-WKILWMFISA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001579343673 1277192949 /nfs/dbraw/zinc/19/29/49/1277192949.db2.gz BCLDXWZZUPNYQI-ZDUSSCGKSA-N 2 0 370.461 0.476 20 0 FCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353366 1277211032 /nfs/dbraw/zinc/21/10/32/1277211032.db2.gz JYUSAIXKSPTXBK-SJORKVTESA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579356888 1277222666 /nfs/dbraw/zinc/22/26/66/1277222666.db2.gz PFPJVUHGEYTNIC-PREGVCBESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359583 1277233289 /nfs/dbraw/zinc/23/32/89/1277233289.db2.gz XXRDTLXPRRGNJT-BDVYOWHSSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359770 1277233426 /nfs/dbraw/zinc/23/34/26/1277233426.db2.gz CQXSQAXIGGOKSB-ZENOOKHLSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359762 1277233623 /nfs/dbraw/zinc/23/36/23/1277233623.db2.gz CLJYCNYBGWTZIX-UONOGXRCSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361429 1277238040 /nfs/dbraw/zinc/23/80/40/1277238040.db2.gz KVNLVZZJJKFKGG-IHRRRGAJSA-N 2 0 370.461 0.617 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579370130 1277253100 /nfs/dbraw/zinc/25/31/00/1277253100.db2.gz VCIBAHNKDABPRF-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381365 1277257494 /nfs/dbraw/zinc/25/74/94/1277257494.db2.gz WFRDMXQIFUXUNL-QLFBSQMISA-N 2 0 358.446 0.490 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580270741 1278064451 /nfs/dbraw/zinc/06/44/51/1278064451.db2.gz WIIZFUIKMWHGDD-AAEUAGOBSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)c1nccs1 ZINC001714391835 1287321143 /nfs/dbraw/zinc/32/11/43/1287321143.db2.gz WWQVXGFYSIKWCN-BFHYXJOUSA-N 2 0 367.519 0.788 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580277359 1278071445 /nfs/dbraw/zinc/07/14/45/1278071445.db2.gz XLBJDTQAAFWBFH-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001580278782 1278074947 /nfs/dbraw/zinc/07/49/47/1278074947.db2.gz GFYZMMFGWNUXNX-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580279629 1278077364 /nfs/dbraw/zinc/07/73/64/1278077364.db2.gz AVXJFUZFRKMAPA-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(F)(F)F ZINC001580283452 1278084720 /nfs/dbraw/zinc/08/47/20/1278084720.db2.gz PIRWZXDQAMJULS-AGIUHOORSA-N 2 0 352.401 0.943 20 0 FCADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580863702 1279062338 /nfs/dbraw/zinc/06/23/38/1279062338.db2.gz UFPQPQXAGMKAIP-QGZVFWFLSA-N 2 0 359.536 0.893 20 0 FCADRP CC(C)[C@@H](C(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001603200878 1287328100 /nfs/dbraw/zinc/32/81/00/1287328100.db2.gz NNWYLOOBZWUCBW-HNNXBMFYSA-N 2 0 360.466 0.530 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940501 1279147948 /nfs/dbraw/zinc/14/79/48/1279147948.db2.gz AIVSVAPSDWDLNG-GXTWGEPZSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940357 1279148775 /nfs/dbraw/zinc/14/87/75/1279148775.db2.gz UOODXSBVKIRPMZ-ZDUSSCGKSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943373 1279151046 /nfs/dbraw/zinc/15/10/46/1279151046.db2.gz FKWMFBDITDNJFG-CYBMUJFWSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942519 1279151780 /nfs/dbraw/zinc/15/17/80/1279151780.db2.gz QXHVDTOTJLTBED-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956709 1279160021 /nfs/dbraw/zinc/16/00/21/1279160021.db2.gz MOVOOUAOCGZNMS-KGLIPLIRSA-N 2 0 370.461 0.464 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962420 1279166256 /nfs/dbraw/zinc/16/62/56/1279166256.db2.gz URBJYHXKAUEPGW-OCCSQVGLSA-N 2 0 356.434 0.359 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962489 1279167681 /nfs/dbraw/zinc/16/76/81/1279167681.db2.gz WBWODQBODMSVGE-QWHCGFSZSA-N 2 0 356.434 0.217 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972592 1279173531 /nfs/dbraw/zinc/17/35/31/1279173531.db2.gz YLVMOBGSGXVSLA-AWEZNQCLSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988048 1279187334 /nfs/dbraw/zinc/18/73/34/1279187334.db2.gz PGUJADKHIKWPRA-LBPRGKRZSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991128 1279192904 /nfs/dbraw/zinc/19/29/04/1279192904.db2.gz LDAYBARKXMOBOX-BBRMVZONSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991417 1279194808 /nfs/dbraw/zinc/19/48/08/1279194808.db2.gz OQFWJEJYACMHCU-STQMWFEESA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991459 1279195079 /nfs/dbraw/zinc/19/50/79/1279195079.db2.gz POBJQIICQLXCKQ-ZDUSSCGKSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993794 1279199584 /nfs/dbraw/zinc/19/95/84/1279199584.db2.gz NKEAVWLMCKSSOZ-INIZCTEOSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994992 1279202756 /nfs/dbraw/zinc/20/27/56/1279202756.db2.gz VFQDDMYGEIQGSK-CJNGLKHVSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995051 1279206151 /nfs/dbraw/zinc/20/61/51/1279206151.db2.gz WMBYGDBCQBXGDK-DOMZBBRYSA-N 2 0 360.466 0.495 20 0 FCADRP CC(C)[C@@H](CCN(C)C(=O)CC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603210836 1287332079 /nfs/dbraw/zinc/33/20/79/1287332079.db2.gz IMSRHXCJWCDALW-OAHLLOKOSA-N 2 0 374.493 0.920 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996046 1279207184 /nfs/dbraw/zinc/20/71/84/1279207184.db2.gz UTWISCJJGUMQPQ-OLZOCXBDSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996175 1279207562 /nfs/dbraw/zinc/20/75/62/1279207562.db2.gz WPYALRZDHIPYBI-CQSZACIVSA-N 2 0 372.477 0.785 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001714705347 1287332375 /nfs/dbraw/zinc/33/23/75/1287332375.db2.gz FAFNXIIMOVKPSH-UPJWGTAASA-N 2 0 364.412 0.538 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006304 1279225089 /nfs/dbraw/zinc/22/50/89/1279225089.db2.gz OPQSQHNPNUFTMX-CYBMUJFWSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010114 1279236144 /nfs/dbraw/zinc/23/61/44/1279236144.db2.gz FEUOQLANQAPAFB-CHWSQXEVSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@](C)(NC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010153 1279236900 /nfs/dbraw/zinc/23/69/00/1279236900.db2.gz GIGMESCAWATGME-SFHVURJKSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010694 1279236965 /nfs/dbraw/zinc/23/69/65/1279236965.db2.gz SXEVBZIZNKSOOG-LBPRGKRZSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010977 1279237389 /nfs/dbraw/zinc/23/73/89/1279237389.db2.gz ZXDDKTHIWMETPH-LBPRGKRZSA-N 2 0 358.450 0.252 20 0 FCADRP Cc1cc(NC[C@@H](C2CC2)N(C)C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011093 1279237749 /nfs/dbraw/zinc/23/77/49/1279237749.db2.gz CHZALYXEUJYDQH-INIZCTEOSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011414 1279237891 /nfs/dbraw/zinc/23/78/91/1279237891.db2.gz JZUQEYZTUJLJFU-IUODEOHRSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023989 1279255127 /nfs/dbraw/zinc/25/51/27/1279255127.db2.gz YMTJFUIEPRKURD-AWEZNQCLSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023962 1279255151 /nfs/dbraw/zinc/25/51/51/1279255151.db2.gz XUDKDOTWSNDUEP-UONOGXRCSA-N 2 0 370.461 0.204 20 0 FCADRP Cc1cc(NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025024 1279256744 /nfs/dbraw/zinc/25/67/44/1279256744.db2.gz NGSGDWYWIFALBN-JSGCOSHPSA-N 2 0 372.477 0.450 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027847 1279262345 /nfs/dbraw/zinc/26/23/45/1279262345.db2.gz YXQCKMKPRPNPFS-MRXNPFEDSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCCN(C)C(=O)CC[NH+]2CCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028203 1279263105 /nfs/dbraw/zinc/26/31/05/1279263105.db2.gz LBLBBAGVUHQKGL-UHFFFAOYSA-N 2 0 372.477 0.738 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028389 1279263846 /nfs/dbraw/zinc/26/38/46/1279263846.db2.gz UINDWDXWHSFNEW-GFCCVEGCSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581029910 1279266889 /nfs/dbraw/zinc/26/68/89/1279266889.db2.gz DKTPFSUHMTWBEI-ZIAGYGMSSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038166 1279275100 /nfs/dbraw/zinc/27/51/00/1279275100.db2.gz FTJHFZKVLAEBNJ-FPMFFAJLSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001715230008 1287347013 /nfs/dbraw/zinc/34/70/13/1287347013.db2.gz LPWNVXCLEJQAAU-MRVWCRGKSA-N 2 0 351.451 0.604 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC3CCC3)CCC2)CC[N@@H+]1C ZINC001717151391 1287409233 /nfs/dbraw/zinc/40/92/33/1287409233.db2.gz MBMNXQAKHAFGEE-GDBMZVCRSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001582099474 1281055575 /nfs/dbraw/zinc/05/55/75/1281055575.db2.gz SFUPJKFACMNYRW-UHFFFAOYSA-N 2 0 373.436 0.840 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100762 1281056927 /nfs/dbraw/zinc/05/69/27/1281056927.db2.gz NCACKTKOUOUNNR-FZNQNYSPSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)C12CC[NH+](CC1)C2 ZINC001582389349 1281451425 /nfs/dbraw/zinc/45/14/25/1281451425.db2.gz KGHLYNWXEASWOP-UHFFFAOYSA-N 2 0 373.486 0.762 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC1=O ZINC001631800976 1282115179 /nfs/dbraw/zinc/11/51/79/1282115179.db2.gz GOISQTDTKVWHOS-OWSLCNJRSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001631849940 1282124407 /nfs/dbraw/zinc/12/44/07/1282124407.db2.gz FKZYYCIGHFRMMX-OAHLLOKOSA-N 2 0 352.479 0.404 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589820955 1283057971 /nfs/dbraw/zinc/05/79/71/1283057971.db2.gz UKHPZNIMMGWEJM-CYBMUJFWSA-N 2 0 360.466 0.677 20 0 FCADRP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC[NH+](C)C ZINC001589830894 1283071402 /nfs/dbraw/zinc/07/14/02/1283071402.db2.gz RYZCQGDBQBYWIM-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC001589869591 1283102786 /nfs/dbraw/zinc/10/27/86/1283102786.db2.gz IABAMRUSPJSKBS-GJZGRUSLSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270631 1283394769 /nfs/dbraw/zinc/39/47/69/1283394769.db2.gz DXNKJPAGCUKHGD-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001683250143 1283911261 /nfs/dbraw/zinc/91/12/61/1283911261.db2.gz DCSCEKIUMSFUCF-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001590855391 1283926876 /nfs/dbraw/zinc/92/68/76/1283926876.db2.gz TVJLIUPOENTNRT-LBPRGKRZSA-N 2 0 351.480 0.816 20 0 FCADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001590855795 1283930588 /nfs/dbraw/zinc/93/05/88/1283930588.db2.gz WCGOUUBKFBHCDB-LBPRGKRZSA-N 2 0 351.480 0.864 20 0 FCADRP C[N@H+](CC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001591038635 1284100316 /nfs/dbraw/zinc/10/03/16/1284100316.db2.gz HJWXRVPIZNRUAD-AATRIKPKSA-N 2 0 372.477 0.746 20 0 FCADRP CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071029 1284130603 /nfs/dbraw/zinc/13/06/03/1284130603.db2.gz KSDAXNZJBRYNDT-HNNXBMFYSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071153 1284131055 /nfs/dbraw/zinc/13/10/55/1284131055.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070892 1284131276 /nfs/dbraw/zinc/13/12/76/1284131276.db2.gz GXDRYHVXXIBVHS-GFCCVEGCSA-N 2 0 363.491 0.818 20 0 FCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172506 1284254635 /nfs/dbraw/zinc/25/46/35/1284254635.db2.gz VSKGQOSECJRCIV-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001591173511 1284259691 /nfs/dbraw/zinc/25/96/91/1284259691.db2.gz XQDHAAJWPPWIJY-ZDUSSCGKSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173349 1284260104 /nfs/dbraw/zinc/26/01/04/1284260104.db2.gz SHPVENWTUBDCRZ-SWLSCSKDSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591176538 1284268407 /nfs/dbraw/zinc/26/84/07/1284268407.db2.gz QMTAGNBTQACVSO-ZDUSSCGKSA-N 2 0 361.425 0.553 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591186271 1284296309 /nfs/dbraw/zinc/29/63/09/1284296309.db2.gz OZIDRZSYMJNXLF-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187317 1284298422 /nfs/dbraw/zinc/29/84/22/1284298422.db2.gz NCQSRDGGNGRSGY-WOMSROEHSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187367 1284299493 /nfs/dbraw/zinc/29/94/93/1284299493.db2.gz RJIFBSIHVQMAKY-AWFCHZOYSA-N 2 0 355.446 0.723 20 0 FCADRP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001591192919 1284311624 /nfs/dbraw/zinc/31/16/24/1284311624.db2.gz MBFJEYJMTSSXEG-UHFFFAOYSA-N 2 0 358.494 0.660 20 0 FCADRP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCC[NH+](C)C ZINC001604682620 1287729151 /nfs/dbraw/zinc/72/91/51/1287729151.db2.gz GDNJBAOMCCYWKB-UHFFFAOYSA-N 2 0 374.493 0.922 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1F ZINC001604686907 1287732896 /nfs/dbraw/zinc/73/28/96/1287732896.db2.gz STVGCQUIXUHCFJ-UHFFFAOYSA-N 2 0 364.429 0.963 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001591561693 1284735529 /nfs/dbraw/zinc/73/55/29/1284735529.db2.gz MDYTYIASBJLXSX-AWEZNQCLSA-N 2 0 359.434 0.175 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001591561769 1284736300 /nfs/dbraw/zinc/73/63/00/1284736300.db2.gz PCOFTTUKWHFCPY-UHFFFAOYSA-N 2 0 359.434 0.177 20 0 FCADRP COc1ccc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)cc1-c1nn[nH]n1 ZINC001591599423 1284762019 /nfs/dbraw/zinc/76/20/19/1284762019.db2.gz JBXDUOKQNRAATC-UHFFFAOYSA-N 2 0 373.461 0.565 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001719104965 1287740366 /nfs/dbraw/zinc/74/03/66/1287740366.db2.gz WHPXEOFLRCLUKG-IXDOHACOSA-N 2 0 366.506 0.035 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996266 1285048788 /nfs/dbraw/zinc/04/87/88/1285048788.db2.gz BKZPQBBJENUTFJ-ZIAGYGMSSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048121 1285092372 /nfs/dbraw/zinc/09/23/72/1285092372.db2.gz VSVDMKBKIIDDFG-UHFFFAOYSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCCNC(=O)C[N@@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049436 1285094268 /nfs/dbraw/zinc/09/42/68/1285094268.db2.gz UTBOZSIQVJNKRH-UHFFFAOYSA-N 2 0 360.466 0.498 20 0 FCADRP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001592739435 1285657371 /nfs/dbraw/zinc/65/73/71/1285657371.db2.gz NCDSFVNTNYONNM-UHFFFAOYSA-N 2 0 370.461 0.622 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001592747613 1285667991 /nfs/dbraw/zinc/66/79/91/1285667991.db2.gz VNSSTFYZQJCCFF-DEYYWGMASA-N 2 0 358.446 0.667 20 0 FCADRP [NH3+][C@H]1C[C@H](C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001592752278 1285673959 /nfs/dbraw/zinc/67/39/59/1285673959.db2.gz VYEIHKJIZQCZGC-SHTZXODSSA-N 2 0 355.446 0.685 20 0 FCADRP O=C(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NCC[NH+]1CCCCCC1 ZINC001592873321 1285783136 /nfs/dbraw/zinc/78/31/36/1285783136.db2.gz PAEOOHLBDLGAOE-UHFFFAOYSA-N 2 0 357.462 0.949 20 0 FCADRP O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001592964092 1285847773 /nfs/dbraw/zinc/84/77/73/1285847773.db2.gz LHSJKZYESINOQJ-UHFFFAOYSA-N 2 0 368.445 0.086 20 0 FCADRP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001593512338 1286189935 /nfs/dbraw/zinc/18/99/35/1286189935.db2.gz UVJYHFMWUWQQRH-HZPDHXFCSA-N 2 0 372.473 0.928 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001735945025 1289067089 /nfs/dbraw/zinc/06/70/89/1289067089.db2.gz JLJFNZPISFSVGZ-ZACQAIPSSA-N 2 0 368.522 0.279 20 0 FCADRP COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1-c1nn[nH]n1 ZINC001609344208 1289111191 /nfs/dbraw/zinc/11/11/91/1289111191.db2.gz DMZNKPCLZSBCEL-UHFFFAOYSA-N 2 0 359.478 0.991 20 0 FCADRP C[NH+]1CCC(CC(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001604854440 1287800240 /nfs/dbraw/zinc/80/02/40/1287800240.db2.gz PUXNBXZYGTUETC-UHFFFAOYSA-N 2 0 358.450 0.334 20 0 FCADRP COCC[NH+](CCOC)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001605101129 1287880174 /nfs/dbraw/zinc/88/01/74/1287880174.db2.gz LJLBAPCTTLBASO-UHFFFAOYSA-N 2 0 361.450 0.825 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2O)CCC1 ZINC001719281895 1288017204 /nfs/dbraw/zinc/01/72/04/1288017204.db2.gz IUINGAXASHSBMO-CABCVRRESA-N 2 0 368.522 0.137 20 0 FCADRP Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605738107 1288068836 /nfs/dbraw/zinc/06/88/36/1288068836.db2.gz HWAMPWQRCGTNHR-XJKCOSOUSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605740285 1288068864 /nfs/dbraw/zinc/06/88/64/1288068864.db2.gz RHVLHVOTXZUVQO-UHFFFAOYSA-N 2 0 354.418 0.940 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001606519133 1288360114 /nfs/dbraw/zinc/36/01/14/1288360114.db2.gz IXTYSEODQAVNAA-UHFFFAOYSA-N 2 0 358.450 0.478 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606524747 1288361329 /nfs/dbraw/zinc/36/13/29/1288361329.db2.gz VNTNRVYKHMORHB-HDJSIYSDSA-N 2 0 370.461 0.619 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3cnccn3)CCC2)CC[N@@H+]1C ZINC001724787293 1288449066 /nfs/dbraw/zinc/44/90/66/1288449066.db2.gz WPARAYGHFSIILO-ZIAGYGMSSA-N 2 0 360.462 0.384 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001724851595 1288452528 /nfs/dbraw/zinc/45/25/28/1288452528.db2.gz NJIVTRPMQZOGDG-BZUAXINKSA-N 2 0 359.536 0.542 20 0 FCADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nncn1C ZINC001724976731 1288457491 /nfs/dbraw/zinc/45/74/91/1288457491.db2.gz NMKQHTJPBRNKHB-RBSFLKMASA-N 2 0 364.494 0.159 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001731367453 1288554451 /nfs/dbraw/zinc/55/44/51/1288554451.db2.gz HUZXNNMPIMVRDY-MOPGFXCFSA-N 2 0 360.502 0.058 20 0 FCADRP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC001607098534 1288661800 /nfs/dbraw/zinc/66/18/00/1288661800.db2.gz ZASZPCVHKTZWAF-MRXNPFEDSA-N 2 0 358.446 0.823 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC1 ZINC001691910242 1289341661 /nfs/dbraw/zinc/34/16/61/1289341661.db2.gz KMFIBHXKUVJXMI-UONOGXRCSA-N 2 0 361.494 0.724 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001691934835 1289345669 /nfs/dbraw/zinc/34/56/69/1289345669.db2.gz FKPJFWNCTFKTKM-LSDHHAIUSA-N 2 0 364.494 0.525 20 0 FCADRP C[C@@H](CC[NH2+]Cc1ncnn1CC(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699101140 1289545861 /nfs/dbraw/zinc/54/58/61/1289545861.db2.gz BRTIAOQXPASDBB-YNEHKIRRSA-N 2 0 358.437 0.868 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC001699261868 1289547110 /nfs/dbraw/zinc/54/71/10/1289547110.db2.gz SLKZYZZYKPURKS-ZPPHWLAZSA-N 2 0 350.507 0.847 20 0 FCADRP Cc1noc(CCC[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001699898546 1289573872 /nfs/dbraw/zinc/57/38/72/1289573872.db2.gz OLMPFRCYBFJXDT-SIIHOXLZSA-N 2 0 365.478 0.204 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCCC2)CC[N@@H+]1C ZINC001738169594 1289636644 /nfs/dbraw/zinc/63/66/44/1289636644.db2.gz VPSCYHDDMMAHBK-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001738251071 1289648653 /nfs/dbraw/zinc/64/86/53/1289648653.db2.gz FCGXCXFPEUHDHR-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001702189107 1289819601 /nfs/dbraw/zinc/81/96/01/1289819601.db2.gz WXHKMBXUDLGFEH-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001739641757 1290284534 /nfs/dbraw/zinc/28/45/34/1290284534.db2.gz VJMVRBLNOVBCAQ-IKGGRYGDSA-N 2 0 368.522 0.279 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001754864457 1290634585 /nfs/dbraw/zinc/63/45/85/1290634585.db2.gz BOJONYIPXMHOJD-DDBAPUKQSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](O)C2CCCCC2)CC[N@@H+]1C ZINC001754882490 1290635760 /nfs/dbraw/zinc/63/57/60/1290635760.db2.gz FTXHUIFXXUWRPZ-NXHRZFHOSA-N 2 0 355.523 0.678 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001652176715 1291266410 /nfs/dbraw/zinc/26/64/10/1291266410.db2.gz IFWUQGVWAPAAAD-KRWDZBQOSA-N 2 0 359.536 0.845 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001664875869 1291820907 /nfs/dbraw/zinc/82/09/07/1291820907.db2.gz FZPBIBMYYSWDQO-NVXWUHKLSA-N 2 0 365.522 0.522 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001666287384 1291907666 /nfs/dbraw/zinc/90/76/66/1291907666.db2.gz VMUUENZHZLXTSQ-DUQPFJRNSA-N 2 0 363.506 0.601 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001689106536 1294619390 /nfs/dbraw/zinc/61/93/90/1294619390.db2.gz KFOSXPQDENMXQK-MCIONIFRSA-N 2 0 355.483 0.128 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cnc2C)CC[N@@H+]1CCNC(=O)NC(C)C ZINC001689194044 1294660993 /nfs/dbraw/zinc/66/09/93/1294660993.db2.gz MSCZZTLHPDSTMC-GOEBONIOSA-N 2 0 364.494 0.937 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCOCC2CC2)[C@@H]1C ZINC001689336400 1294759635 /nfs/dbraw/zinc/75/96/35/1294759635.db2.gz MNASBHGYWZEFFB-JZXOWHBKSA-N 2 0 353.507 0.960 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001690338348 1294865194 /nfs/dbraw/zinc/86/51/94/1294865194.db2.gz TWWYZSCTLYKWQI-HDEZJCGLSA-N 2 0 362.474 0.863 20 0 FCADRP CC(C)N(C)Cc1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1CC[NH2+]C2 ZINC001164681225 719625541 /nfs/dbraw/zinc/62/55/41/719625541.db2.gz DNEOUIXFYRSZGB-UHFFFAOYSA-N 2 0 370.505 0.558 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001164829477 720317862 /nfs/dbraw/zinc/31/78/62/720317862.db2.gz MQYLRVDYDIKGPT-ROUUACIJSA-N 2 0 370.501 0.991 20 0 FCADRP c1ncc(O[C@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164744159 720730738 /nfs/dbraw/zinc/73/07/38/720730738.db2.gz RIGJFWRLKIUBIS-GJZGRUSLSA-N 2 0 353.430 0.254 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@H]3C2)cn1 ZINC001164767969 721249368 /nfs/dbraw/zinc/24/93/68/721249368.db2.gz XIROHAVXLXSWKK-DOTOQJQBSA-N 2 0 353.474 0.855 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164922954 721848186 /nfs/dbraw/zinc/84/81/86/721848186.db2.gz SPLPXLANMNVOFV-CABCVRRESA-N 2 0 350.898 0.990 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070382633 837651151 /nfs/dbraw/zinc/65/11/51/837651151.db2.gz JUGGZOKYUCLYIV-UXLLHSPISA-N 2 0 354.470 0.383 20 0 FCADRP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382527 837651159 /nfs/dbraw/zinc/65/11/59/837651159.db2.gz DOGFRFDPAACNDA-NUJGCVRESA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F)C(N)=O ZINC001099332491 844029429 /nfs/dbraw/zinc/02/94/29/844029429.db2.gz CPGMGEAENZFOEM-GRYCIOLGSA-N 2 0 362.396 0.325 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001100344503 844051543 /nfs/dbraw/zinc/05/15/43/844051543.db2.gz APACQESRSAVOKU-YQEWQEHLSA-N 2 0 350.507 0.822 20 0 FCADRP COCC[NH2+]C1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001100341356 844052173 /nfs/dbraw/zinc/05/21/73/844052173.db2.gz UVHBBQIVHXMSPO-SYNTWQANSA-N 2 0 353.507 0.864 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243549 844116948 /nfs/dbraw/zinc/11/69/48/844116948.db2.gz LUCJXWJXXXYGKO-MTNOOBJLSA-N 2 0 353.507 0.770 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267401 844126094 /nfs/dbraw/zinc/12/60/94/844126094.db2.gz CDIIBTCFPFLJJP-SUMDDJOVSA-N 2 0 350.507 0.633 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290246 844137280 /nfs/dbraw/zinc/13/72/80/844137280.db2.gz HDXFRHNRMUUGPR-NUJGCVRESA-N 2 0 351.491 0.402 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101341196 844151978 /nfs/dbraw/zinc/15/19/78/844151978.db2.gz AIVGTGNFFCZEKP-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351824 844154408 /nfs/dbraw/zinc/15/44/08/844154408.db2.gz NLQYAVIUHKOAGY-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353085 844156101 /nfs/dbraw/zinc/15/61/01/844156101.db2.gz SWXCQRJQYNCCQP-LMMKCTJWSA-N 2 0 355.523 0.752 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101352416 844156518 /nfs/dbraw/zinc/15/65/18/844156518.db2.gz FTWPKVKOGUKZJD-MDZRGWNJSA-N 2 0 350.507 0.728 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363949 844160113 /nfs/dbraw/zinc/16/01/13/844160113.db2.gz HSNAVYPMKFRBJH-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000751038146 836461415 /nfs/dbraw/zinc/46/14/15/836461415.db2.gz IYZHPGRUAHPHTC-HOTGVXAUSA-N 2 0 369.579 0.878 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101400153 844174967 /nfs/dbraw/zinc/17/49/67/844174967.db2.gz IZZDGTIDDJUIJC-APWZRJJASA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@]2(C)C1 ZINC001101432216 844183957 /nfs/dbraw/zinc/18/39/57/844183957.db2.gz HYAZVYLIOQPKCK-SCTDSRPQSA-N 2 0 353.507 0.772 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101435250 844185342 /nfs/dbraw/zinc/18/53/42/844185342.db2.gz FSBOMBLSGCAKRK-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001059731999 836642120 /nfs/dbraw/zinc/64/21/20/836642120.db2.gz HQPIWCOCMLGSPF-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101438466 844186640 /nfs/dbraw/zinc/18/66/40/844186640.db2.gz ACDAXWNJXYRKCB-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459609 844193305 /nfs/dbraw/zinc/19/33/05/844193305.db2.gz LLIFNMBYEREREE-CLCXKQKWSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101437856 844187391 /nfs/dbraw/zinc/18/73/91/844187391.db2.gz TWOROBWBLASHSQ-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460435 844193507 /nfs/dbraw/zinc/19/35/07/844193507.db2.gz FOWPVJPJRKROPW-FCEWJHQRSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464305 844194262 /nfs/dbraw/zinc/19/42/62/844194262.db2.gz BLDSDRUQOCPORK-MDZRGWNJSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063221709 836757284 /nfs/dbraw/zinc/75/72/84/836757284.db2.gz IDGPJNLYUGNXCK-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063223671 836759300 /nfs/dbraw/zinc/75/93/00/836759300.db2.gz SMNIJRUQRZNIBN-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101478249 844201295 /nfs/dbraw/zinc/20/12/95/844201295.db2.gz FXGITZSWLMEWBF-QAPCUYQASA-N 2 0 351.495 0.132 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCC1 ZINC001064547948 836798022 /nfs/dbraw/zinc/79/80/22/836798022.db2.gz OAGHMVUTJNNSHT-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065574076 836843580 /nfs/dbraw/zinc/84/35/80/836843580.db2.gz ABNWIJKKJJLRCP-HRCADAONSA-N 2 0 354.495 0.012 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815740 844279026 /nfs/dbraw/zinc/27/90/26/844279026.db2.gz QPKGCYXRRXUDLQ-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)CC[NH+]1C ZINC001101982955 844360588 /nfs/dbraw/zinc/36/05/88/844360588.db2.gz UMEDWDBRQNFDCI-KLHDSHLOSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128156 838752364 /nfs/dbraw/zinc/75/23/64/838752364.db2.gz ZJHFAXCRTNATAM-RCCFBDPRSA-N 2 0 353.507 0.552 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504886 839002088 /nfs/dbraw/zinc/00/20/88/839002088.db2.gz DFWBUAZDHDLHHT-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051808 844397281 /nfs/dbraw/zinc/39/72/81/844397281.db2.gz NXGAMXRGIIULLI-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046339 844394235 /nfs/dbraw/zinc/39/42/35/844394235.db2.gz ZCMCCHFVDIBLNE-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102091009 844410056 /nfs/dbraw/zinc/41/00/56/844410056.db2.gz NLQJTXKYSCIJJR-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077924173 839234551 /nfs/dbraw/zinc/23/45/51/839234551.db2.gz WOZQXZVLFOHEBZ-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119360 844422900 /nfs/dbraw/zinc/42/29/00/844422900.db2.gz ICWJKDDPHKRBDH-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102188542 844438524 /nfs/dbraw/zinc/43/85/24/844438524.db2.gz AGVNQLDQOCDMTQ-NXHRZFHOSA-N 2 0 353.507 0.554 20 0 FCADRP CC[C@H](C(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079248289 839499825 /nfs/dbraw/zinc/49/98/25/839499825.db2.gz QOJDLLBWFRFHEE-GVDBMIGSSA-N 2 0 353.507 0.912 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270148 839502810 /nfs/dbraw/zinc/50/28/10/839502810.db2.gz DJITYNQBKZYCQV-YESZJQIVSA-N 2 0 351.491 0.260 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102264543 844454273 /nfs/dbraw/zinc/45/42/73/844454273.db2.gz OUFFBQLODBFZAT-FGTMMUONSA-N 2 0 355.523 0.801 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275996 844456516 /nfs/dbraw/zinc/45/65/16/844456516.db2.gz BRHARXPLJKLQEW-LTIDMASMSA-N 2 0 352.523 0.879 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285147 844458813 /nfs/dbraw/zinc/45/88/13/844458813.db2.gz BZNXPKNGNBUEFQ-UKRRQHHQSA-N 2 0 350.463 0.775 20 0 FCADRP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312681 844464222 /nfs/dbraw/zinc/46/42/22/844464222.db2.gz ILCTWTJSDRVLNY-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372808 844478559 /nfs/dbraw/zinc/47/85/59/844478559.db2.gz OQCCUOMYNNDXEI-LBTNJELSSA-N 2 0 356.486 0.629 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102473692 844514760 /nfs/dbraw/zinc/51/47/60/844514760.db2.gz LBLOOEFOBPIBTB-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102475244 844515651 /nfs/dbraw/zinc/51/56/51/844515651.db2.gz FVYHWPZDPUYWGB-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480192 844519869 /nfs/dbraw/zinc/51/98/69/844519869.db2.gz BWDYSDCZEXPVPP-HZPDHXFCSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102495960 844529706 /nfs/dbraw/zinc/52/97/06/844529706.db2.gz VVEFNEGSTSGXTL-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082557241 840463903 /nfs/dbraw/zinc/46/39/03/840463903.db2.gz UFSMGRQLLDWJCR-IXDOHACOSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082557497 840463964 /nfs/dbraw/zinc/46/39/64/840463964.db2.gz JBOOOSPOHLGGBI-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511308 844541400 /nfs/dbraw/zinc/54/14/00/844541400.db2.gz RMQFIFMSRWHTIR-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102524992 844553525 /nfs/dbraw/zinc/55/35/25/844553525.db2.gz HDIZIHRTFOAGDB-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102524710 844552165 /nfs/dbraw/zinc/55/21/65/844552165.db2.gz RXNDSDDYWQADIP-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082822299 840574835 /nfs/dbraw/zinc/57/48/35/840574835.db2.gz XBWATYPVCBDAAK-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525323 844552766 /nfs/dbraw/zinc/55/27/66/844552766.db2.gz WRNAYYZXGHCCSB-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001082835421 840579394 /nfs/dbraw/zinc/57/93/94/840579394.db2.gz YWHCVWMTWSGCLW-NVXWUHKLSA-N 2 0 350.507 0.776 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923259 840603576 /nfs/dbraw/zinc/60/35/76/840603576.db2.gz ABBNSAZSTYVSJQ-JKIFEVAISA-N 2 0 350.463 0.888 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCCF)C[C@@H]32)n1 ZINC001083084727 840698570 /nfs/dbraw/zinc/69/85/70/840698570.db2.gz BZIQKUNJEDVBKJ-JKSUJKDBSA-N 2 0 353.442 0.330 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106345 840715735 /nfs/dbraw/zinc/71/57/35/840715735.db2.gz WXMYKNBTVQKFNH-OKZBNKHCSA-N 2 0 351.491 0.951 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579922 844574157 /nfs/dbraw/zinc/57/41/57/844574157.db2.gz XEUWJUMMSZLYHI-IXDOHACOSA-N 2 0 371.547 0.591 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578284 844572787 /nfs/dbraw/zinc/57/27/87/844572787.db2.gz ULCGSAARLWCIAW-BZUAXINKSA-N 2 0 353.511 0.330 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]32)CC1 ZINC001083182817 840779760 /nfs/dbraw/zinc/77/97/60/840779760.db2.gz YSXKYAHXOWLFBX-RYQLBKOJSA-N 2 0 351.491 0.666 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](CCC4CC4)C[C@@H]32)CC1 ZINC001083235111 840818575 /nfs/dbraw/zinc/81/85/75/840818575.db2.gz NKSCRIHJNNEMKJ-ZWKOTPCHSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083274904 840856714 /nfs/dbraw/zinc/85/67/14/840856714.db2.gz FXIQLZGTQOXFQO-OKZBNKHCSA-N 2 0 351.491 0.811 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083284154 840868151 /nfs/dbraw/zinc/86/81/51/840868151.db2.gz SYBTVUHNWIHAAQ-FGTMMUONSA-N 2 0 351.491 0.811 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599188 844589689 /nfs/dbraw/zinc/58/96/89/844589689.db2.gz SQHRPEXTBUWDMQ-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601305 844592251 /nfs/dbraw/zinc/59/22/51/844592251.db2.gz WJSQMPKYXKXOTD-ARFHVFGLSA-N 2 0 361.552 0.691 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601772 844593976 /nfs/dbraw/zinc/59/39/76/844593976.db2.gz PBOHPRWZGIYZDZ-NUJGCVRESA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460411 841027218 /nfs/dbraw/zinc/02/72/18/841027218.db2.gz GESGXHKVDKPRCF-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696112 841325479 /nfs/dbraw/zinc/32/54/79/841325479.db2.gz JWFSUYQZRSCDBD-BBWFWOEESA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083908780 841557086 /nfs/dbraw/zinc/55/70/86/841557086.db2.gz WOZQXZVLFOHEBZ-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954312 841600825 /nfs/dbraw/zinc/60/08/25/841600825.db2.gz UJBIGFYYBCINGF-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877614 861241155 /nfs/dbraw/zinc/24/11/55/861241155.db2.gz CKURMUMVEHWVRJ-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP COCCCN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275879867 861244432 /nfs/dbraw/zinc/24/44/32/861244432.db2.gz QMFPPDKCAOONOO-HKUYNNGSSA-N 2 0 353.507 0.916 20 0 FCADRP CCNC(=O)CN1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275880584 861247082 /nfs/dbraw/zinc/24/70/82/861247082.db2.gz UTMGKMLORHTLEX-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1)[NH+](C)C ZINC001085035068 841997002 /nfs/dbraw/zinc/99/70/02/841997002.db2.gz DOOWOUTVQOONFR-IKGGRYGDSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1)[NH+](C)C ZINC001085035579 841997062 /nfs/dbraw/zinc/99/70/62/841997062.db2.gz FSNYMRJSUAVYDX-IKGGRYGDSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001085202240 842043478 /nfs/dbraw/zinc/04/34/78/842043478.db2.gz UCFHQABUSIZAHU-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001085203644 842043548 /nfs/dbraw/zinc/04/35/48/842043548.db2.gz UNDOLGRFBGCFMC-YLFCFFPRSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC1 ZINC001085319578 842077021 /nfs/dbraw/zinc/07/70/21/842077021.db2.gz DCKBSMNHLLAPHM-HZPDHXFCSA-N 2 0 351.495 0.370 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085332538 842078744 /nfs/dbraw/zinc/07/87/44/842078744.db2.gz BRYJBRDYFYWEFE-ARFHVFGLSA-N 2 0 351.495 0.370 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085332389 842079914 /nfs/dbraw/zinc/07/99/14/842079914.db2.gz VZRBTROYSWKTRM-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001085423587 842099532 /nfs/dbraw/zinc/09/95/32/842099532.db2.gz XKBSYTOQVYIZIE-BRWVUGGUSA-N 2 0 371.547 0.924 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001085423588 842099619 /nfs/dbraw/zinc/09/96/19/842099619.db2.gz XKBSYTOQVYIZIE-GVDBMIGSSA-N 2 0 371.547 0.924 20 0 FCADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086088931 842119335 /nfs/dbraw/zinc/11/93/35/842119335.db2.gz YNFDYMRORRMBGA-TVNOUSRMSA-N 2 0 353.507 0.599 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001086090814 842119466 /nfs/dbraw/zinc/11/94/66/842119466.db2.gz SAUTUFBXTCIJIP-APIJFGDWSA-N 2 0 352.458 0.572 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001086371739 842128700 /nfs/dbraw/zinc/12/87/00/842128700.db2.gz VXCPZICLUMGJNM-ZHCJQAHYSA-N 2 0 350.507 0.727 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001086659144 842144644 /nfs/dbraw/zinc/14/46/44/842144644.db2.gz LQKUCSFIYKWORS-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087035265 842231794 /nfs/dbraw/zinc/23/17/94/842231794.db2.gz TXHPDOPZZGTHHP-FVQBIDKESA-N 2 0 351.451 0.425 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087084465 842277338 /nfs/dbraw/zinc/27/73/38/842277338.db2.gz CGIJACWCOBZTAV-HYVNUMGLSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083831 842278222 /nfs/dbraw/zinc/27/82/22/842278222.db2.gz URLASKFBXKRMFN-SQWLQELKSA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087100916 842289025 /nfs/dbraw/zinc/28/90/25/842289025.db2.gz KXVUXJCTOJJWFE-MGPQQGTHSA-N 2 0 353.492 0.443 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087101027 842290257 /nfs/dbraw/zinc/29/02/57/842290257.db2.gz PTFDZYOJCSWEBQ-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088012573 842499989 /nfs/dbraw/zinc/49/99/89/842499989.db2.gz QUBOZKBLMXILGJ-SJORKVTESA-N 2 0 353.507 0.508 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023010 842507369 /nfs/dbraw/zinc/50/73/69/842507369.db2.gz KBWQSIXUBNONDC-IKGGRYGDSA-N 2 0 350.507 0.633 20 0 FCADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001088047302 842516143 /nfs/dbraw/zinc/51/61/43/842516143.db2.gz QUIUZPPHARUFGB-XFHVWQCUSA-N 2 0 351.466 0.990 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095367 842530259 /nfs/dbraw/zinc/53/02/59/842530259.db2.gz KLDQPVMENAPQSO-RVKKMQEKSA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088562954 842614625 /nfs/dbraw/zinc/61/46/25/842614625.db2.gz WFOMASTYQCWAFT-PMPSAXMXSA-N 2 0 351.495 0.463 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088791811 842676578 /nfs/dbraw/zinc/67/65/78/842676578.db2.gz DKDJFNLVQILQIZ-CABCVRRESA-N 2 0 351.495 0.465 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC001088835816 842690830 /nfs/dbraw/zinc/69/08/30/842690830.db2.gz PSRNKPKEKFVDGQ-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091783036 843093416 /nfs/dbraw/zinc/09/34/16/843093416.db2.gz RBSAKLXGSMRUKB-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001092610559 843252547 /nfs/dbraw/zinc/25/25/47/843252547.db2.gz WZODSGYYOPUXBJ-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001092650833 843266095 /nfs/dbraw/zinc/26/60/95/843266095.db2.gz UAOJXRNVQIUOPB-BPLDGKMQSA-N 2 0 364.515 0.996 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918143 843341764 /nfs/dbraw/zinc/34/17/64/843341764.db2.gz APGYYKSRBVRZLS-UKRRQHHQSA-N 2 0 350.463 0.727 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309634 861406020 /nfs/dbraw/zinc/40/60/20/861406020.db2.gz YYNILLVZKFQRHG-PKOBYXMFSA-N 2 0 350.507 0.731 20 0 FCADRP COC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093044331 843370650 /nfs/dbraw/zinc/37/06/50/843370650.db2.gz HBBSQOOMCZCLGE-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194209 843404329 /nfs/dbraw/zinc/40/43/29/843404329.db2.gz XOVQRUCJSXOKPB-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093277616 843420059 /nfs/dbraw/zinc/42/00/59/843420059.db2.gz JFDWXIYMFREWIS-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093292280 843422064 /nfs/dbraw/zinc/42/20/64/843422064.db2.gz UTHYFWMKJQOZFH-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451296 843435268 /nfs/dbraw/zinc/43/52/68/843435268.db2.gz SNJDBZAYLIXDJI-RWQQGDIJSA-N 2 0 353.507 0.429 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451293 843435435 /nfs/dbraw/zinc/43/54/35/843435435.db2.gz SNJDBZAYLIXDJI-FPAYPSAMSA-N 2 0 353.507 0.429 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCO)CC3)C1 ZINC001094496862 843557581 /nfs/dbraw/zinc/55/75/81/843557581.db2.gz JWVVWHVOCARPTB-ZHALLVOQSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCCCC(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001276438763 861450499 /nfs/dbraw/zinc/45/04/99/861450499.db2.gz YMYSJISXCJGYHH-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC001098603513 843927356 /nfs/dbraw/zinc/92/73/56/843927356.db2.gz PJVHGUJKZIFQDM-GVDBMIGSSA-N 2 0 353.507 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099223185 843978813 /nfs/dbraw/zinc/97/88/13/843978813.db2.gz ICABBQOHLRPZSI-MGPQQGTHSA-N 2 0 359.396 0.956 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001099269440 843998784 /nfs/dbraw/zinc/99/87/84/843998784.db2.gz LDYPTIUKPNKXBA-JHJVBQTASA-N 2 0 362.400 0.597 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780752 844646674 /nfs/dbraw/zinc/64/66/74/844646674.db2.gz MSTSPOORXGZLTK-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374839 844744456 /nfs/dbraw/zinc/74/44/56/844744456.db2.gz MPUWAJAHQFIZJA-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378809 844745916 /nfs/dbraw/zinc/74/59/16/844745916.db2.gz LKLIPIMPLJISMO-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396674 844751347 /nfs/dbraw/zinc/75/13/47/844751347.db2.gz DMFNTJBXXQBLMG-HLLBOEOZSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001103398170 844751424 /nfs/dbraw/zinc/75/14/24/844751424.db2.gz GFJMWBXAMDWTDV-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397084 844751476 /nfs/dbraw/zinc/75/14/76/844751476.db2.gz YVNIOFQZLITSHY-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438473 844758759 /nfs/dbraw/zinc/75/87/59/844758759.db2.gz KWLHZKYUBFVKLS-OAGGEKHMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497709 844768135 /nfs/dbraw/zinc/76/81/35/844768135.db2.gz UQAACVJZGCBYGY-SJLPKXTDSA-N 2 0 355.523 0.801 20 0 FCADRP C[NH+](C)CCCN1CC[C@]2(C1)CN(CCCCCC(N)=O)C(=O)CO2 ZINC001276609158 861495515 /nfs/dbraw/zinc/49/55/15/861495515.db2.gz HNWISZGKALUFGJ-SFHVURJKSA-N 2 0 354.495 0.287 20 0 FCADRP C[NH+](C)CCCN1CC[C@@]2(C1)CN(CCCCCC(N)=O)C(=O)CO2 ZINC001276609157 861495781 /nfs/dbraw/zinc/49/57/81/861495781.db2.gz HNWISZGKALUFGJ-GOSISDBHSA-N 2 0 354.495 0.287 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642003 844793864 /nfs/dbraw/zinc/79/38/64/844793864.db2.gz MIEULZHNWHYCTF-HUUCEWRRSA-N 2 0 365.465 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721190 844806658 /nfs/dbraw/zinc/80/66/58/844806658.db2.gz HCWKSBXTTRULIL-OAGGEKHMSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721039 844806955 /nfs/dbraw/zinc/80/69/55/844806955.db2.gz AIUJMOXAYLHQJN-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723635 844808915 /nfs/dbraw/zinc/80/89/15/844808915.db2.gz VEUBHLSMIDEGQE-HZPDHXFCSA-N 2 0 359.536 0.591 20 0 FCADRP CC[C@H](C)N1C[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630412 861507250 /nfs/dbraw/zinc/50/72/50/861507250.db2.gz TYPCVGFWDWPXLT-HKUYNNGSSA-N 2 0 352.523 0.726 20 0 FCADRP CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630206 861507381 /nfs/dbraw/zinc/50/73/81/861507381.db2.gz MGOZQRCYYDPPRE-CGTJXYLNSA-N 2 0 350.507 0.667 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291729 844891529 /nfs/dbraw/zinc/89/15/29/844891529.db2.gz SKMUHEGEBKXYGK-QGPMSJSTSA-N 2 0 352.523 0.925 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345671 844895727 /nfs/dbraw/zinc/89/57/27/844895727.db2.gz NUDDJLQWDJVJJO-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754927 844938950 /nfs/dbraw/zinc/93/89/50/844938950.db2.gz KGRJIWRAGXVHMJ-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104812765 844947352 /nfs/dbraw/zinc/94/73/52/844947352.db2.gz UPPYZABTSRVOOD-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104937782 844961360 /nfs/dbraw/zinc/96/13/60/844961360.db2.gz HIOIJPAHHFWBOZ-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001105007831 844968722 /nfs/dbraw/zinc/96/87/22/844968722.db2.gz GRZOYOKHOHAHLQ-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCF)nn3)C2)CC[N@@H+]1C ZINC001105243936 844984092 /nfs/dbraw/zinc/98/40/92/844984092.db2.gz LYBVJPFRLJDLFI-JKSUJKDBSA-N 2 0 352.458 0.841 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105651642 845008948 /nfs/dbraw/zinc/00/89/48/845008948.db2.gz IAEFOXGSZRPCHT-OAFZBRQQSA-N 2 0 353.507 0.287 20 0 FCADRP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658473 845010598 /nfs/dbraw/zinc/01/05/98/845010598.db2.gz HFLMAKLWSRFPLY-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105661882 845012649 /nfs/dbraw/zinc/01/26/49/845012649.db2.gz LMDOJOWKUNZSJB-ZAWLATJESA-N 2 0 355.523 0.677 20 0 FCADRP CC(C)[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668407 845014600 /nfs/dbraw/zinc/01/46/00/845014600.db2.gz WSPVLAXJHSHWKA-ZAWLATJESA-N 2 0 355.523 0.939 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105945877 845065268 /nfs/dbraw/zinc/06/52/68/845065268.db2.gz HEGSQYZWSLIWFA-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCCCCC(N)=O)C2 ZINC001276671974 861527871 /nfs/dbraw/zinc/52/78/71/861527871.db2.gz SDIINZGWIYYCCT-SFHVURJKSA-N 2 0 354.495 0.145 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106198833 845129536 /nfs/dbraw/zinc/12/95/36/845129536.db2.gz POAMDTSVSWLTQN-BZUAXINKSA-N 2 0 358.502 0.875 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106249594 845143363 /nfs/dbraw/zinc/14/33/63/845143363.db2.gz LNFHTPKGFSLWIP-KBRIMQKVSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106271730 845146030 /nfs/dbraw/zinc/14/60/30/845146030.db2.gz LAFDKOZPYZGSKU-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106271732 845146314 /nfs/dbraw/zinc/14/63/14/845146314.db2.gz LAFDKOZPYZGSKU-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106309241 845152564 /nfs/dbraw/zinc/15/25/64/845152564.db2.gz RRMKIEQSMXNWKY-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106321926 845154241 /nfs/dbraw/zinc/15/42/41/845154241.db2.gz HSFRDRKHIRMULI-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106371099 845165356 /nfs/dbraw/zinc/16/53/56/845165356.db2.gz QNXGCPHHZNBWDC-IAGOWNOFSA-N 2 0 353.507 0.962 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106472328 845178599 /nfs/dbraw/zinc/17/85/99/845178599.db2.gz ULKCKOGOWJHNFE-QGPMSJSTSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106483271 845182155 /nfs/dbraw/zinc/18/21/55/845182155.db2.gz UTGOZKXSVIMVTM-ZACQAIPSSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106581498 845200611 /nfs/dbraw/zinc/20/06/11/845200611.db2.gz FVDJTCPOYVEXCP-FXUDXRNXSA-N 2 0 359.536 0.445 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001106622840 845207162 /nfs/dbraw/zinc/20/71/62/845207162.db2.gz SWVYDAHEROTCHS-TZMCWYRMSA-N 2 0 351.451 0.557 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106626301 845208600 /nfs/dbraw/zinc/20/86/00/845208600.db2.gz AQVCDSPCSYRHGD-HUUCEWRRSA-N 2 0 355.527 0.720 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001106666322 845218717 /nfs/dbraw/zinc/21/87/17/845218717.db2.gz KPCXJBWSCDQRPW-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001106673421 845221385 /nfs/dbraw/zinc/22/13/85/845221385.db2.gz YIKVDUJNGONVNA-HUUCEWRRSA-N 2 0 350.511 0.977 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1)[NH+](C)C ZINC001106674469 845223488 /nfs/dbraw/zinc/22/34/88/845223488.db2.gz WKMZFGXADJTEJY-UPJWGTAASA-N 2 0 368.507 0.501 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106729451 845235938 /nfs/dbraw/zinc/23/59/38/845235938.db2.gz RDHXJVSFMQTBPC-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106729447 845236245 /nfs/dbraw/zinc/23/62/45/845236245.db2.gz QXPJEMMNMRUFOT-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106798605 845255717 /nfs/dbraw/zinc/25/57/17/845255717.db2.gz MOXZSIUAXANCGF-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001106840409 845265453 /nfs/dbraw/zinc/26/54/53/845265453.db2.gz LMKJZLYKFZMYGB-HUUCEWRRSA-N 2 0 354.474 0.774 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C)C(N)=O ZINC001106860091 845273127 /nfs/dbraw/zinc/27/31/27/845273127.db2.gz IOZNUUKEXUUCHQ-JKIFEVAISA-N 2 0 350.507 0.666 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106885132 845278790 /nfs/dbraw/zinc/27/87/90/845278790.db2.gz SWVHKOYHCRMBSA-KFWWJZLASA-N 2 0 350.463 0.453 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106881319 845278897 /nfs/dbraw/zinc/27/88/97/845278897.db2.gz BTNXCVTXNYHEDR-HYVNUMGLSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106899480 845281357 /nfs/dbraw/zinc/28/13/57/845281357.db2.gz BMQYSRVZMCEESD-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106899682 845281629 /nfs/dbraw/zinc/28/16/29/845281629.db2.gz HXFSPBSOLHNRTB-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106910662 845284819 /nfs/dbraw/zinc/28/48/19/845284819.db2.gz IWMLAEQNHSAHBB-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106907943 845284935 /nfs/dbraw/zinc/28/49/35/845284935.db2.gz JRGCFWHSJGKXTF-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984118 845300854 /nfs/dbraw/zinc/30/08/54/845300854.db2.gz YYJOYEJBJQCEDD-HZPDHXFCSA-N 2 0 353.511 0.474 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106998603 845307098 /nfs/dbraw/zinc/30/70/98/845307098.db2.gz DFKPLNQOOMUWIQ-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107036864 845317461 /nfs/dbraw/zinc/31/74/61/845317461.db2.gz TZLIEFUUJZYRAX-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436782 845373087 /nfs/dbraw/zinc/37/30/87/845373087.db2.gz PPAZGZPYNYVRHS-CRAIPNDOSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436826 845373178 /nfs/dbraw/zinc/37/31/78/845373178.db2.gz SEJNIGAAZMXWLM-LZLYRXPVSA-N 2 0 353.507 0.839 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442776 845374031 /nfs/dbraw/zinc/37/40/31/845374031.db2.gz OZWICXLSMYHKOE-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530410 845391870 /nfs/dbraw/zinc/39/18/70/845391870.db2.gz QABBQRZWQZSDLP-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546935 845396165 /nfs/dbraw/zinc/39/61/65/845396165.db2.gz UCGRLMSLWDIJNY-GPMSIDNRSA-N 2 0 350.507 0.968 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609524 845407488 /nfs/dbraw/zinc/40/74/88/845407488.db2.gz VXIDBDMPFDHIJX-GPMSIDNRSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C12CC[NH+](CC1)C2 ZINC001107608337 845408137 /nfs/dbraw/zinc/40/81/37/845408137.db2.gz NBALTIZPZNQMSQ-SJLPKXTDSA-N 2 0 351.491 0.452 20 0 FCADRP CS(=O)(=O)CC[N@@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001276744300 861573496 /nfs/dbraw/zinc/57/34/96/861573496.db2.gz SJKPIKUCURGWPY-KRWDZBQOSA-N 2 0 368.503 0.632 20 0 FCADRP COC(CN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O)OC ZINC001276794360 861610278 /nfs/dbraw/zinc/61/02/78/861610278.db2.gz IAAOYNNZPUSLFC-KDOFPFPSSA-N 2 0 357.495 0.279 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCCC1 ZINC001110565908 845920693 /nfs/dbraw/zinc/92/06/93/845920693.db2.gz ROMQJKFWCZVHOF-ZACQAIPSSA-N 2 0 353.507 0.981 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111782614 846202886 /nfs/dbraw/zinc/20/28/86/846202886.db2.gz QJMSRKUESRJHOH-LNLFQRSKSA-N 2 0 353.507 0.840 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821629 846222183 /nfs/dbraw/zinc/22/21/83/846222183.db2.gz ZSLKCERGJNYYIH-KXBFYZLASA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCS(=O)(=O)C1)C2 ZINC001111861359 846234962 /nfs/dbraw/zinc/23/49/62/846234962.db2.gz JGQUFPDNLXTKDB-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873041 846239679 /nfs/dbraw/zinc/23/96/79/846239679.db2.gz GQVFWTUZKVLGOE-FCEWJHQRSA-N 2 0 355.523 0.942 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870833 846240331 /nfs/dbraw/zinc/24/03/31/846240331.db2.gz PIWOVEFGOMPWFR-AOIWGVFYSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H](COCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2)[NH+]1CCCC1 ZINC001111875786 846242336 /nfs/dbraw/zinc/24/23/36/846242336.db2.gz DOAZMHZIFUSJAA-LNLFQRSKSA-N 2 0 353.507 0.840 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111927109 846264241 /nfs/dbraw/zinc/26/42/41/846264241.db2.gz ZOHDRVLEBMIBEM-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCNC1=O)C2 ZINC001111950995 846271177 /nfs/dbraw/zinc/27/11/77/846271177.db2.gz NPARXJVZNMHBBK-BXWFABGCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001112118157 846397569 /nfs/dbraw/zinc/39/75/69/846397569.db2.gz WFEGEQBKPBWCSK-MCIONIFRSA-N 2 0 369.428 0.560 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112143158 846415280 /nfs/dbraw/zinc/41/52/80/846415280.db2.gz LJBBNLMUJFGNTJ-FDYHWXHSSA-N 2 0 353.385 0.067 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159982 846425265 /nfs/dbraw/zinc/42/52/65/846425265.db2.gz KOGZLKSFQAEYAL-CHWSQXEVSA-N 2 0 355.401 0.580 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112190337 846450622 /nfs/dbraw/zinc/45/06/22/846450622.db2.gz WPWPVGLTWIJPPQ-CHWSQXEVSA-N 2 0 355.401 0.316 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112192994 846451773 /nfs/dbraw/zinc/45/17/73/846451773.db2.gz FCLAXKPGILLARO-YNEHKIRRSA-N 2 0 365.396 0.068 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112212313 846469971 /nfs/dbraw/zinc/46/99/71/846469971.db2.gz YSJRCFXJUGQGRR-FRRDWIJNSA-N 2 0 364.412 0.584 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001112359651 846497253 /nfs/dbraw/zinc/49/72/53/846497253.db2.gz CRBDTMWNBLAZNQ-OLMMMNRUSA-N 2 0 350.507 0.633 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112428542 846503236 /nfs/dbraw/zinc/50/32/36/846503236.db2.gz LAASIBSOGUZHFJ-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112515089 846512663 /nfs/dbraw/zinc/51/26/63/846512663.db2.gz UVBAKWZDPQDFQC-BXWFABGCSA-N 2 0 350.507 0.812 20 0 FCADRP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2)C1CC1 ZINC001112522953 846514235 /nfs/dbraw/zinc/51/42/35/846514235.db2.gz VVIZGDPJUMTXNK-KXBFYZLASA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001112524334 846514301 /nfs/dbraw/zinc/51/43/01/846514301.db2.gz IZERDPDAVFIMRQ-SCTDSRPQSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112529723 846516593 /nfs/dbraw/zinc/51/65/93/846516593.db2.gz MCDQSZYHRNMNRN-GJYPPUQNSA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2)C(N)=O ZINC001112563664 846525146 /nfs/dbraw/zinc/52/51/46/846525146.db2.gz HCIIYUFCYZOAQT-MPGHIAIKSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2csnn2)C1 ZINC001112563983 846525159 /nfs/dbraw/zinc/52/51/59/846525159.db2.gz XPINIAGEIQMOLI-YOEHRIQHSA-N 2 0 367.519 0.835 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563129 846525182 /nfs/dbraw/zinc/52/51/82/846525182.db2.gz GVWPUSSJWMOSIG-GJYPPUQNSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714335 846744445 /nfs/dbraw/zinc/74/44/45/846744445.db2.gz DFQVOZWNOAMQIV-KGLIPLIRSA-N 2 0 350.467 0.182 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001117985611 847242065 /nfs/dbraw/zinc/24/20/65/847242065.db2.gz RHOLWNRPUHSABX-AWEZNQCLSA-N 2 0 352.454 0.830 20 0 FCADRP O=S1(=O)CCC(O)(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001120488158 848219164 /nfs/dbraw/zinc/21/91/64/848219164.db2.gz SJYUCWPJMILCSA-UHFFFAOYSA-N 2 0 367.515 0.823 20 0 FCADRP C[N@H+](CCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC001120503959 848224622 /nfs/dbraw/zinc/22/46/22/848224622.db2.gz CTNIJWWBQOWASH-OAHLLOKOSA-N 2 0 352.479 0.845 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@H](C)C(=O)NC)C3)CC[N@@H+]1C ZINC001121133893 848321213 /nfs/dbraw/zinc/32/12/13/848321213.db2.gz KFERHVLGDLALLP-RZNHZXBGSA-N 2 0 350.507 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H](C)C(=O)NC)C3)CC[N@@H+]1C ZINC001121133892 848321314 /nfs/dbraw/zinc/32/13/14/848321314.db2.gz KFERHVLGDLALLP-CTJQGSHISA-N 2 0 350.507 0.868 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810718 848397380 /nfs/dbraw/zinc/39/73/80/848397380.db2.gz NSSTTZSCXNAGOV-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643858 848730202 /nfs/dbraw/zinc/73/02/02/848730202.db2.gz OEAXNOBLHIOBHL-ZIAGYGMSSA-N 2 0 350.467 0.278 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)CC[N@@H+]1C ZINC001127643890 848730486 /nfs/dbraw/zinc/73/04/86/848730486.db2.gz QEAIFZDKGLATRS-UKRRQHHQSA-N 2 0 352.504 0.453 20 0 FCADRP Cc1ccsc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690171 848732834 /nfs/dbraw/zinc/73/28/34/848732834.db2.gz DZYYDMJGLCBSBS-ZIAGYGMSSA-N 2 0 352.504 0.719 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)cc2F)CC[N@@H+]1C ZINC001127690805 848732875 /nfs/dbraw/zinc/73/28/75/848732875.db2.gz UOYMWWOQKBVORI-DGCLKSJQSA-N 2 0 354.401 0.949 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052796 848801211 /nfs/dbraw/zinc/80/12/11/848801211.db2.gz NABYIPUFDFCRHO-BMFZPTHFSA-N 2 0 350.467 0.139 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205012 848818151 /nfs/dbraw/zinc/81/81/51/848818151.db2.gz NYQLSJCSWZPOLY-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228251 848819054 /nfs/dbraw/zinc/81/90/54/848819054.db2.gz KFEPPYHOHQSENN-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129337843 848832762 /nfs/dbraw/zinc/83/27/62/848832762.db2.gz ZSPMTOAZBGFAEQ-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369784 848834985 /nfs/dbraw/zinc/83/49/85/848834985.db2.gz GDVWXZYWHTYNBQ-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129685696 848881442 /nfs/dbraw/zinc/88/14/42/848881442.db2.gz SEVINKJXSNZELH-AGIUHOORSA-N 2 0 360.384 0.666 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858179 848902910 /nfs/dbraw/zinc/90/29/10/848902910.db2.gz QOHUDCLEEFQCHA-UTVAWUEASA-N 2 0 352.870 0.712 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129891961 848908962 /nfs/dbraw/zinc/90/89/62/848908962.db2.gz ALRFQKHLPYDSHT-VGIHJYSNSA-N 2 0 352.870 0.712 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)CC1 ZINC001129983201 848926888 /nfs/dbraw/zinc/92/68/88/848926888.db2.gz RCBHZBFQGBZAFY-UZBOCLDFSA-N 2 0 352.870 0.714 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007618 848929507 /nfs/dbraw/zinc/92/95/07/848929507.db2.gz NPPDOIFIVSLMNQ-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047758 848936541 /nfs/dbraw/zinc/93/65/41/848936541.db2.gz RIQOOIYHHKUJPP-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094368 848943866 /nfs/dbraw/zinc/94/38/66/848943866.db2.gz HKSQAXICBFXNTI-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137429 848951440 /nfs/dbraw/zinc/95/14/40/848951440.db2.gz YZUXIXMLDRMYQK-OAGGEKHMSA-N 2 0 352.458 0.854 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001130220835 848978847 /nfs/dbraw/zinc/97/88/47/848978847.db2.gz NOZZUCVOUJJJIF-MJBXVCDLSA-N 2 0 352.483 0.633 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001130221109 848979216 /nfs/dbraw/zinc/97/92/16/848979216.db2.gz VDWMAJLWIPWWET-YDHLFZDLSA-N 2 0 350.467 0.243 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)[NH+](C)C ZINC001130292991 848997194 /nfs/dbraw/zinc/99/71/94/848997194.db2.gz GWWNRIICUZMVLK-INMHGKMJSA-N 2 0 356.486 0.772 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130715254 849028965 /nfs/dbraw/zinc/02/89/65/849028965.db2.gz VKVWFIZNSGRFJJ-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+](CC)CC)n2)O1 ZINC001130812028 849047463 /nfs/dbraw/zinc/04/74/63/849047463.db2.gz YADPANBAUPNZJO-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131101104 849079692 /nfs/dbraw/zinc/07/96/92/849079692.db2.gz MUVFIZUJKFBPBM-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313298 849095438 /nfs/dbraw/zinc/09/54/38/849095438.db2.gz NCDXPOIRRNDMKN-OAGGEKHMSA-N 2 0 352.479 0.844 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001131516948 849117241 /nfs/dbraw/zinc/11/72/41/849117241.db2.gz BPBBCGUVCLSNAT-SQNIBIBYSA-N 2 0 353.507 0.959 20 0 FCADRP COC[C@]12COC[C@H]1C[N@H+](Cc1cnc(N3CCN(C)CC3)s1)C2 ZINC001139323862 849335859 /nfs/dbraw/zinc/33/58/59/849335859.db2.gz NAVRZSLJWFYHFM-RHSMWYFYSA-N 2 0 352.504 0.990 20 0 FCADRP CCOC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2ccnc2)CC1 ZINC001277718591 862029251 /nfs/dbraw/zinc/02/92/51/862029251.db2.gz GSHNXIUSWVJNLK-HZPDHXFCSA-N 2 0 350.463 0.499 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582874 849585610 /nfs/dbraw/zinc/58/56/10/849585610.db2.gz HCAFXVJOXRIUDX-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761364 862056546 /nfs/dbraw/zinc/05/65/46/862056546.db2.gz MKDRUPHCCCKWSX-LJQANCHMSA-N 2 0 352.523 0.462 20 0 FCADRP CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156487098 849912009 /nfs/dbraw/zinc/91/20/09/849912009.db2.gz ZXIVQVJHTOUIBK-UHFFFAOYSA-N 2 0 362.459 0.443 20 0 FCADRP CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@]1(C)CCC[NH2+]C1 ZINC001156948794 849934185 /nfs/dbraw/zinc/93/41/85/849934185.db2.gz WEEWBRPMUIQCIH-MRXNPFEDSA-N 2 0 353.492 0.147 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157309801 849962387 /nfs/dbraw/zinc/96/23/87/849962387.db2.gz LKFATKUNWIBATL-STQMWFEESA-N 2 0 358.483 0.041 20 0 FCADRP CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157589870 849983635 /nfs/dbraw/zinc/98/36/35/849983635.db2.gz AOSUWYYFBDHJHQ-KGLIPLIRSA-N 2 0 356.467 0.289 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157629424 849985404 /nfs/dbraw/zinc/98/54/04/849985404.db2.gz LYGZPFDTHVQHOI-AWEZNQCLSA-N 2 0 366.487 0.079 20 0 FCADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC(C)([NH3+])C2)cc1 ZINC001157643555 849985896 /nfs/dbraw/zinc/98/58/96/849985896.db2.gz AWZQCZROBQLPGW-HNNXBMFYSA-N 2 0 368.503 0.331 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716151 849988199 /nfs/dbraw/zinc/98/81/99/849988199.db2.gz LKRHKEMBHCBBKU-HOTGVXAUSA-N 2 0 352.504 0.531 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC001157721490 849989246 /nfs/dbraw/zinc/98/92/46/849989246.db2.gz YPTZZAAINLTAKT-HOTGVXAUSA-N 2 0 353.488 0.703 20 0 FCADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158027416 850013996 /nfs/dbraw/zinc/01/39/96/850013996.db2.gz FMFAKHHXTNIRMH-DOTOQJQBSA-N 2 0 369.531 0.536 20 0 FCADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158027420 850014052 /nfs/dbraw/zinc/01/40/52/850014052.db2.gz FMFAKHHXTNIRMH-RDJZCZTQSA-N 2 0 369.531 0.536 20 0 FCADRP O=C([C@H](c1ccsc1)N1CCC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167908 850020803 /nfs/dbraw/zinc/02/08/03/850020803.db2.gz OFOIMUVEYDBPAB-ZACQAIPSSA-N 2 0 364.515 0.531 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192622 850023130 /nfs/dbraw/zinc/02/31/30/850023130.db2.gz BAOYQOJJEMLLJU-RFGFWPKPSA-N 2 0 358.433 0.547 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306684 850035905 /nfs/dbraw/zinc/03/59/05/850035905.db2.gz VXHULKHZGPYFER-XDQVBPFNSA-N 2 0 374.576 0.125 20 0 FCADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001158379535 850041263 /nfs/dbraw/zinc/04/12/63/850041263.db2.gz BQPIJUYTVOJRGW-IJLUTSLNSA-N 2 0 352.401 0.490 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CCCC1)C2 ZINC001158381514 850042360 /nfs/dbraw/zinc/04/23/60/850042360.db2.gz HKWKPDAFUGKRCQ-UKRRQHHQSA-N 2 0 363.380 0.802 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001158403484 850047345 /nfs/dbraw/zinc/04/73/45/850047345.db2.gz IWIULBSERVJORM-HZSPNIEDSA-N 2 0 369.428 0.752 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001158404815 850047406 /nfs/dbraw/zinc/04/74/06/850047406.db2.gz ZJRDLSUWPDSDQK-HRCADAONSA-N 2 0 359.536 0.637 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001158404241 850047815 /nfs/dbraw/zinc/04/78/15/850047815.db2.gz SJHYRUKCAHLWIP-LSDHHAIUSA-N 2 0 355.527 0.910 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001158412587 850047976 /nfs/dbraw/zinc/04/79/76/850047976.db2.gz QCXBVBXQJYKKOL-UONOGXRCSA-N 2 0 367.519 0.932 20 0 FCADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001158791717 850076238 /nfs/dbraw/zinc/07/62/38/850076238.db2.gz ZOHPHPSECSVWIA-KGLIPLIRSA-N 2 0 352.483 0.429 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001158855206 850081814 /nfs/dbraw/zinc/08/18/14/850081814.db2.gz FZJMWZYODNDZPY-RZFZLAGVSA-N 2 0 355.508 0.231 20 0 FCADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C3)n1 ZINC001159472035 850118240 /nfs/dbraw/zinc/11/82/40/850118240.db2.gz NKSQHTPKEORRGJ-JKIFEVAISA-N 2 0 351.451 0.164 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001159746563 850133356 /nfs/dbraw/zinc/13/33/56/850133356.db2.gz QNJGWKDNMOREIA-RWMBFGLXSA-N 2 0 354.501 0.474 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506174 850178465 /nfs/dbraw/zinc/17/84/65/850178465.db2.gz JCWHEMPYLWPGLS-GFCCVEGCSA-N 2 0 351.838 0.309 20 0 FCADRP O=C(N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160610630 850185625 /nfs/dbraw/zinc/18/56/25/850185625.db2.gz IHTQQVFGFARXAQ-UWWQBHOKSA-N 2 0 363.483 0.260 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC001160610918 850185771 /nfs/dbraw/zinc/18/57/71/850185771.db2.gz OOPPYLYQSPESDM-JYJNAYRXSA-N 2 0 354.495 0.055 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C[C@H]1C2 ZINC001160793576 850198384 /nfs/dbraw/zinc/19/83/84/850198384.db2.gz BRSRMIXBDCTANX-FSPSUXSGSA-N 2 0 357.401 0.088 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001161152460 850235002 /nfs/dbraw/zinc/23/50/02/850235002.db2.gz LSUNJQZBOXFIRU-ONGXEEELSA-N 2 0 358.368 0.270 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001161157850 850236215 /nfs/dbraw/zinc/23/62/15/850236215.db2.gz MEEPTKCOXUFCME-GOSISDBHSA-N 2 0 351.422 0.752 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001161159187 850236552 /nfs/dbraw/zinc/23/65/52/850236552.db2.gz XXYXQLOXVONCSH-CYBMUJFWSA-N 2 0 350.419 0.176 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CCOCc1ccccc1 ZINC001161157403 850236557 /nfs/dbraw/zinc/23/65/57/850236557.db2.gz CWQQYCYZDJMXRU-INIZCTEOSA-N 2 0 351.447 0.661 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C2CCOCC2)CC1 ZINC001161315898 850250682 /nfs/dbraw/zinc/25/06/82/850250682.db2.gz DZRYQJIOKRBUKK-DEYYWGMASA-N 2 0 350.463 0.772 20 0 FCADRP O=C([C@@H](c1cccc(Br)c1)N1CC[NH2+]CC1)N1CC[NH2+]C1 ZINC001161418846 850258720 /nfs/dbraw/zinc/25/87/20/850258720.db2.gz SHFQPGPXYCUCQD-CQSZACIVSA-N 2 0 353.264 0.785 20 0 FCADRP C[NH+]1CCC(N(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C2CCCC2)CC1 ZINC001161454542 850260110 /nfs/dbraw/zinc/26/01/10/850260110.db2.gz WYXJTOIJUUYJPT-GOSISDBHSA-N 3 0 351.539 0.602 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001161444724 850260135 /nfs/dbraw/zinc/26/01/35/850260135.db2.gz KPSGBEUUDBEBIF-SJORKVTESA-N 3 0 354.445 0.977 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)CC12COC2 ZINC001161500848 850264662 /nfs/dbraw/zinc/26/46/62/850264662.db2.gz QGPLTDSCILSTCG-KFWWJZLASA-N 2 0 350.488 0.398 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ccc2c(n1)CC[NH2+]C2 ZINC001165501051 850445498 /nfs/dbraw/zinc/44/54/98/850445498.db2.gz WEACIIWBVRVJAL-UHFFFAOYSA-N 2 0 363.443 0.327 20 0 FCADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC001167880604 850560364 /nfs/dbraw/zinc/56/03/64/850560364.db2.gz RAPUFTCMVVSIKC-UHFFFAOYSA-N 2 0 366.447 0.828 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CCO1 ZINC001168124550 850573568 /nfs/dbraw/zinc/57/35/68/850573568.db2.gz XGZDWSCGJJITSX-IRXDYDNUSA-N 2 0 352.523 0.724 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CCO1 ZINC001168124554 850573764 /nfs/dbraw/zinc/57/37/64/850573764.db2.gz XGZDWSCGJJITSX-SJORKVTESA-N 2 0 352.523 0.724 20 0 FCADRP C[NH+](C)C1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001168321255 850582158 /nfs/dbraw/zinc/58/21/58/850582158.db2.gz FICIZJWGMOVIJT-UHFFFAOYSA-N 2 0 369.535 0.663 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169133188 850607462 /nfs/dbraw/zinc/60/74/62/850607462.db2.gz CPZFORLUCRIWMB-FICVDOATSA-N 2 0 367.519 0.416 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(O[C@H]3CCC[NH2+]C3)nn2)O1 ZINC001170276594 850649014 /nfs/dbraw/zinc/64/90/14/850649014.db2.gz FGBNAGPTSHIXJN-CFAJVAMVSA-N 2 0 351.451 0.744 20 0 FCADRP NS(=O)(=O)c1ccc(Oc2cc(N[C@H]([NH3+])CCC[NH3+])ncn2)cc1 ZINC001170896535 850669889 /nfs/dbraw/zinc/66/98/89/850669889.db2.gz GGWQTTOZRYDAHF-LBPRGKRZSA-N 2 0 352.420 0.352 20 0 FCADRP CN(C)S(=O)(=O)n1cnc(-c2ccccc2N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170899994 850670054 /nfs/dbraw/zinc/67/00/54/850670054.db2.gz HEZNXIVNWSHYLE-OAHLLOKOSA-N 2 0 352.464 0.640 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)O1 ZINC001171691792 850692900 /nfs/dbraw/zinc/69/29/00/850692900.db2.gz VMXYTEAZHKDBOT-RGCMKSIDSA-N 2 0 357.451 0.837 20 0 FCADRP CN(C)C(=O)CO[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]2COC[C@H]12 ZINC001172116512 850704535 /nfs/dbraw/zinc/70/45/35/850704535.db2.gz FNEPYGSFKAQLPU-YPLQCARHSA-N 2 0 351.491 0.806 20 0 FCADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)O1 ZINC001172119057 850704578 /nfs/dbraw/zinc/70/45/78/850704578.db2.gz RXRCSVJKDWNFJB-YRDXOGEASA-N 2 0 351.491 0.996 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173134051 850718041 /nfs/dbraw/zinc/71/80/41/850718041.db2.gz XLNSBAROHFNCPV-OAHLLOKOSA-N 2 0 373.519 0.615 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173570881 850727702 /nfs/dbraw/zinc/72/77/02/850727702.db2.gz RMTONFGJHMYOSY-DBHUPMKQSA-N 2 0 354.447 0.698 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001178523086 850905059 /nfs/dbraw/zinc/90/50/59/850905059.db2.gz SZFSKWXTLKGQIJ-HZPDHXFCSA-N 2 0 353.511 0.618 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C[C@H](O)C1 ZINC001178663724 850914336 /nfs/dbraw/zinc/91/43/36/850914336.db2.gz DNNDYYIJTWALKL-NEPJUHHUSA-N 2 0 357.455 0.065 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001179017294 850946417 /nfs/dbraw/zinc/94/64/17/850946417.db2.gz GWWJYQVLBUMWIN-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)(C)OC(=O)N1CCC(O)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001179747111 850998591 /nfs/dbraw/zinc/99/85/91/850998591.db2.gz OWEWBJQCOWSTDG-UHFFFAOYSA-N 2 0 357.455 0.209 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001180345632 851026393 /nfs/dbraw/zinc/02/63/93/851026393.db2.gz QVKZUUHYBWKFNX-ZWKOTPCHSA-N 2 0 351.539 0.249 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001180347402 851028340 /nfs/dbraw/zinc/02/83/40/851028340.db2.gz RBPAZSOVGQULPC-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP COCCN1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC001180893867 851076650 /nfs/dbraw/zinc/07/66/50/851076650.db2.gz VTTOOZRJMZWYCU-MRXNPFEDSA-N 2 0 356.511 0.213 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CC1(C)C)CC2 ZINC001181298515 851100807 /nfs/dbraw/zinc/10/08/07/851100807.db2.gz INVJEZFTGZHBNP-OAHLLOKOSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525314 851117619 /nfs/dbraw/zinc/11/76/19/851117619.db2.gz IIYNHRCSIYHPNH-YKTARERQSA-N 2 0 352.523 0.879 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C34CC[NH+](CC3)CC4)CC[C@@H]2C1 ZINC001181548684 851120647 /nfs/dbraw/zinc/12/06/47/851120647.db2.gz HFIATHIFURINEV-IAGOWNOFSA-N 2 0 351.491 0.668 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CC[NH+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976417 851143386 /nfs/dbraw/zinc/14/33/86/851143386.db2.gz FZWJAGWGAGAPLD-FGTMMUONSA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182456893 851175195 /nfs/dbraw/zinc/17/51/95/851175195.db2.gz IPDZMGGWPNFCSZ-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186383396 851430182 /nfs/dbraw/zinc/43/01/82/851430182.db2.gz XPKYEDYXWOHSLK-IXDOHACOSA-N 2 0 353.507 0.554 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 ZINC001188107159 851645887 /nfs/dbraw/zinc/64/58/87/851645887.db2.gz IMUKAFZWEIGTIX-NUEKZKHPSA-N 2 0 352.458 0.528 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001188205790 851658657 /nfs/dbraw/zinc/65/86/57/851658657.db2.gz XSXBYTNIDVUBKL-RCCFBDPRSA-N 2 0 353.507 0.791 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001188962485 851737994 /nfs/dbraw/zinc/73/79/94/851737994.db2.gz ANFZRXFHIZAYEK-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188962801 851738143 /nfs/dbraw/zinc/73/81/43/851738143.db2.gz GJRZWXMCEJQGBD-OKZBNKHCSA-N 2 0 355.523 0.894 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001188979205 851739566 /nfs/dbraw/zinc/73/95/66/851739566.db2.gz LDAKFYLFNXKTIX-DLBZAZTESA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189054264 851746508 /nfs/dbraw/zinc/74/65/08/851746508.db2.gz BHWKUKQTECYNRQ-HRCADAONSA-N 2 0 357.520 0.296 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062317 851747099 /nfs/dbraw/zinc/74/70/99/851747099.db2.gz RMJNSCVBDISKEY-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189810949 851827285 /nfs/dbraw/zinc/82/72/85/851827285.db2.gz OPDRTBUXADLOFO-RCCFBDPRSA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189870723 851833126 /nfs/dbraw/zinc/83/31/26/851833126.db2.gz DKOLBQMZKHSLMR-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189870597 851833281 /nfs/dbraw/zinc/83/32/81/851833281.db2.gz AWURAIWNJJXTML-JKSUJKDBSA-N 2 0 351.495 0.276 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189922990 851843111 /nfs/dbraw/zinc/84/31/11/851843111.db2.gz IKITVBBXLJDPGM-OKZBNKHCSA-N 2 0 355.523 0.894 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371243 851899190 /nfs/dbraw/zinc/89/91/90/851899190.db2.gz RLVFNFNTSLZJNV-YESZJQIVSA-N 2 0 350.507 0.869 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)CC[N@@H+]1C ZINC001193102123 852355203 /nfs/dbraw/zinc/35/52/03/852355203.db2.gz DJPXHIMSQIXBOD-AAVRWANBSA-N 2 0 367.412 0.457 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193766217 852485880 /nfs/dbraw/zinc/48/58/80/852485880.db2.gz PPCOLRMOTGFOBM-MGPQQGTHSA-N 2 0 367.412 0.457 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194265595 852569608 /nfs/dbraw/zinc/56/96/08/852569608.db2.gz ULYMYNBWWSKTFM-CHWSQXEVSA-N 2 0 369.428 0.847 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289672 852573230 /nfs/dbraw/zinc/57/32/30/852573230.db2.gz LBNNTDMNKHXBMP-DJIMGWMZSA-N 2 0 350.463 0.230 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)CO[C@@H](C)COC)CC2)CC1 ZINC001195258815 852732438 /nfs/dbraw/zinc/73/24/38/852732438.db2.gz RZIRZDHBDNAZOE-PKOBYXMFSA-N 2 0 357.539 0.891 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206799 852914402 /nfs/dbraw/zinc/91/44/02/852914402.db2.gz HJCYAEMPEUUOBM-ZACQAIPSSA-N 2 0 355.523 0.941 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1CCN(CCN2CCOCC2)CC1 ZINC001196673255 852993930 /nfs/dbraw/zinc/99/39/30/852993930.db2.gz FMZABHYGRMOQQR-UHFFFAOYSA-N 2 0 371.595 0.543 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001198699454 853304020 /nfs/dbraw/zinc/30/40/20/853304020.db2.gz RQPZBJHAZCMGLH-USXIJHARSA-N 2 0 367.515 0.420 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001198698809 853304351 /nfs/dbraw/zinc/30/43/51/853304351.db2.gz FQZGOABECRKLNV-BPLDGKMQSA-N 2 0 361.433 0.161 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001198744074 853312255 /nfs/dbraw/zinc/31/22/55/853312255.db2.gz KXUSIYSDMXNJTF-QZTJIDSGSA-N 2 0 353.507 0.840 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536135 853501522 /nfs/dbraw/zinc/50/15/22/853501522.db2.gz AGBJIVPRBXRZCL-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538386 853502565 /nfs/dbraw/zinc/50/25/65/853502565.db2.gz ZKQVOZVHJMQDIL-BZUAXINKSA-N 2 0 354.495 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)Nc3nncs3)CC2)CC[N@@H+]1C ZINC001200637149 853506275 /nfs/dbraw/zinc/50/62/75/853506275.db2.gz RYFHSOMPZYUFBD-DGCLKSJQSA-N 2 0 366.491 0.397 20 0 FCADRP COCCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205511071 853618486 /nfs/dbraw/zinc/61/84/86/853618486.db2.gz VRKYDJTVGSOYJU-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986389 853776981 /nfs/dbraw/zinc/77/69/81/853776981.db2.gz FHAPTMBKROBVBO-NVXWUHKLSA-N 2 0 351.495 0.920 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207279432 853796526 /nfs/dbraw/zinc/79/65/26/853796526.db2.gz GGFRKUACAPPLNX-UHFFFAOYSA-N 2 0 351.495 0.912 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207466150 853817640 /nfs/dbraw/zinc/81/76/40/853817640.db2.gz SPECCOXXIRGVRH-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001207541004 853822387 /nfs/dbraw/zinc/82/23/87/853822387.db2.gz PFEMBHHVLLUGDK-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H]([NH2+]CCCO)C2)CC1 ZINC001208065652 853888677 /nfs/dbraw/zinc/88/86/77/853888677.db2.gz BETNQDBRAPLXMC-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001208067701 853889767 /nfs/dbraw/zinc/88/97/67/853889767.db2.gz OXMDZSQIHDTILC-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070889 853891827 /nfs/dbraw/zinc/89/18/27/853891827.db2.gz SZENCLWRQYLNCB-HYVNUMGLSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485851 853941228 /nfs/dbraw/zinc/94/12/28/853941228.db2.gz UJQQGZKXMCZXQF-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001208515137 853944197 /nfs/dbraw/zinc/94/41/97/853944197.db2.gz DPSCTCOSROCMOS-CKEIUWERSA-N 2 0 352.479 0.158 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)CC1 ZINC001208601303 853958575 /nfs/dbraw/zinc/95/85/75/853958575.db2.gz XTWGKVACJSHSDX-MSOLQXFVSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001208601438 853958610 /nfs/dbraw/zinc/95/86/10/853958610.db2.gz ZFWRHAUYBIYGPD-KZNAEPCWSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208619581 853960484 /nfs/dbraw/zinc/96/04/84/853960484.db2.gz GOQNCZPNUJQSAX-RKVPGOIHSA-N 2 0 359.486 0.644 20 0 FCADRP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836781 854058269 /nfs/dbraw/zinc/05/82/69/854058269.db2.gz QTCKHYAQEYULMW-UKRRQHHQSA-N 2 0 363.449 0.815 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210275321 854094144 /nfs/dbraw/zinc/09/41/44/854094144.db2.gz BTSCZEOKQWWAKL-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001210315172 854099452 /nfs/dbraw/zinc/09/94/52/854099452.db2.gz LCRXXXGPQHPNPK-NVXWUHKLSA-N 2 0 351.495 0.460 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329520 854100364 /nfs/dbraw/zinc/10/03/64/854100364.db2.gz AWPZCFYEWQFCCX-HUUCEWRRSA-N 2 0 351.495 0.226 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001211292897 854174790 /nfs/dbraw/zinc/17/47/90/854174790.db2.gz USENJLCZKGTIAG-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343814 854179478 /nfs/dbraw/zinc/17/94/78/854179478.db2.gz NHZMSSBIHUOTMK-RBSFLKMASA-N 2 0 350.463 0.104 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366617 854181889 /nfs/dbraw/zinc/18/18/89/854181889.db2.gz GFYAZIQGYNTMNB-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458746 854486437 /nfs/dbraw/zinc/48/64/37/854486437.db2.gz OSOVFGSQYVOJOQ-BZUAXINKSA-N 2 0 359.486 0.908 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342059 854581807 /nfs/dbraw/zinc/58/18/07/854581807.db2.gz FGQPGTYABPXQRR-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)C1 ZINC001213342292 854582699 /nfs/dbraw/zinc/58/26/99/854582699.db2.gz QBDLEGPVHPWSNC-BHUNQDJPSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346266 854583180 /nfs/dbraw/zinc/58/31/80/854583180.db2.gz FHWWGBGKSHZMHC-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1CN(Cc2c(C)nsc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728766 854739089 /nfs/dbraw/zinc/73/90/89/854739089.db2.gz RXGIRPFXBLXXCK-HZPDHXFCSA-N 2 0 370.519 0.654 20 0 FCADRP CO[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728881 854739399 /nfs/dbraw/zinc/73/93/99/854739399.db2.gz XSSKCENELRWREE-JHJVBQTASA-N 2 0 365.396 0.211 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213759328 854754465 /nfs/dbraw/zinc/75/44/65/854754465.db2.gz GNMYCZBCCURYRH-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213769080 854759517 /nfs/dbraw/zinc/75/95/17/854759517.db2.gz HIMDTBSACUZQDW-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863201 854797430 /nfs/dbraw/zinc/79/74/30/854797430.db2.gz HJKOSCINNCZCNC-BRWVUGGUSA-N 2 0 357.495 0.197 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655931 854986695 /nfs/dbraw/zinc/98/66/95/854986695.db2.gz XIYMHNGXQZKSDI-NVXWUHKLSA-N 2 0 351.495 0.920 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214755260 855002842 /nfs/dbraw/zinc/00/28/42/855002842.db2.gz XZXJFDQSUTWOSD-FVQBIDKESA-N 2 0 356.486 0.724 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214757383 855003513 /nfs/dbraw/zinc/00/35/13/855003513.db2.gz KWCDLETUJOXUNW-FVQBIDKESA-N 2 0 356.486 0.629 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214855647 855023146 /nfs/dbraw/zinc/02/31/46/855023146.db2.gz JUHSVXVVXJDNLX-QBIMZIAESA-N 2 0 350.507 0.679 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214863900 855025727 /nfs/dbraw/zinc/02/57/27/855025727.db2.gz ZVAFQWQEYAVLRN-BPQIPLTHSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214968976 855041496 /nfs/dbraw/zinc/04/14/96/855041496.db2.gz GKOCNGISCOARMQ-OAGGEKHMSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214969524 855042387 /nfs/dbraw/zinc/04/23/87/855042387.db2.gz UZVNAWDLKJDNOD-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001214990280 855048806 /nfs/dbraw/zinc/04/88/06/855048806.db2.gz HYIBKFHNVZCPQQ-BZUAXINKSA-N 2 0 351.495 0.411 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001214996827 855049916 /nfs/dbraw/zinc/04/99/16/855049916.db2.gz DJEOPOXXDQKBCV-OWCLPIDISA-N 2 0 359.511 0.177 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056743 855059503 /nfs/dbraw/zinc/05/95/03/855059503.db2.gz FXPYDXIXTOKHPV-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215153550 855074550 /nfs/dbraw/zinc/07/45/50/855074550.db2.gz WYMUUQSFLGDWEU-CZUORRHYSA-N 2 0 364.471 0.819 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184747 855078652 /nfs/dbraw/zinc/07/86/52/855078652.db2.gz RLDDWVBTQOQGFL-QCZOYZIOSA-N 2 0 351.491 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215234083 855087478 /nfs/dbraw/zinc/08/74/78/855087478.db2.gz BOZCGVVMMXXGKJ-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001215415731 855111872 /nfs/dbraw/zinc/11/18/72/855111872.db2.gz JVSWOAUVXARMFN-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415575 855112109 /nfs/dbraw/zinc/11/21/09/855112109.db2.gz AVJDJAFDOUWEHG-OWCLPIDISA-N 2 0 352.523 0.925 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)cc1=O ZINC001215423584 855113268 /nfs/dbraw/zinc/11/32/68/855113268.db2.gz PWBSJGXCDHGHPK-UKRRQHHQSA-N 2 0 351.447 0.927 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)CS(C)(=O)=O ZINC001215453428 855117294 /nfs/dbraw/zinc/11/72/94/855117294.db2.gz ASWZAXCYTAWRMP-SQWLQELKSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC001215460883 855118023 /nfs/dbraw/zinc/11/80/23/855118023.db2.gz IOIBOGFKOCJXCJ-RHSMWYFYSA-N 2 0 367.515 0.978 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1)[NH+](C)C ZINC001215474536 855119971 /nfs/dbraw/zinc/11/99/71/855119971.db2.gz XOIYTEZCEHPOLZ-XJKCOSOUSA-N 2 0 351.451 0.636 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215536638 855125983 /nfs/dbraw/zinc/12/59/83/855125983.db2.gz WKVLTRBQKOBMII-FRRDWIJNSA-N 2 0 366.491 0.397 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001215539911 855126201 /nfs/dbraw/zinc/12/62/01/855126201.db2.gz CIAPXGOSOFUHRL-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599237 855131434 /nfs/dbraw/zinc/13/14/34/855131434.db2.gz WHOOYCQOQJCXKQ-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001216221122 855180960 /nfs/dbraw/zinc/18/09/60/855180960.db2.gz BHBFNLAFROGQMH-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327736 855193081 /nfs/dbraw/zinc/19/30/81/855193081.db2.gz XSPONXAWVPMLMC-ZTFGCOKTSA-N 2 0 353.507 0.552 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383514 855196497 /nfs/dbraw/zinc/19/64/97/855196497.db2.gz NHLZTHYKIVEHMZ-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382963 855196866 /nfs/dbraw/zinc/19/68/66/855196866.db2.gz FSCFJXHPLDYVQH-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(C)(C)C ZINC001216410253 855200364 /nfs/dbraw/zinc/20/03/64/855200364.db2.gz WQJIQTQIGMYQPQ-RBSFLKMASA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216463578 855204889 /nfs/dbraw/zinc/20/48/89/855204889.db2.gz FVZYNVFTHFISLA-CHWSQXEVSA-N 2 0 368.507 0.645 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216511604 855209929 /nfs/dbraw/zinc/20/99/29/855209929.db2.gz WMLYKNUZGHYQAE-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001216752398 855231470 /nfs/dbraw/zinc/23/14/70/855231470.db2.gz NIUSSJXEKCZLAK-JHJVBQTASA-N 2 0 364.412 0.395 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216757644 855233901 /nfs/dbraw/zinc/23/39/01/855233901.db2.gz HCZIUFVDFOOWMG-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001216773032 855237981 /nfs/dbraw/zinc/23/79/81/855237981.db2.gz WFFWEZZAVYDDMS-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216844946 855256481 /nfs/dbraw/zinc/25/64/81/855256481.db2.gz PXUAYHFQQQEWTG-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216851563 855259584 /nfs/dbraw/zinc/25/95/84/855259584.db2.gz AEMUOTLQWNMRCD-UKRRQHHQSA-N 2 0 354.520 0.995 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216854443 855260849 /nfs/dbraw/zinc/26/08/49/855260849.db2.gz ZCWBWNXSUFNQJL-JHJVBQTASA-N 2 0 366.428 0.830 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217950325 855385199 /nfs/dbraw/zinc/38/51/99/855385199.db2.gz YROJHOFDACJRSV-VHSXEESVSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217976807 855388841 /nfs/dbraw/zinc/38/88/41/855388841.db2.gz LZVOBKLNNQICAD-NXEZZACHSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218471277 855428233 /nfs/dbraw/zinc/42/82/33/855428233.db2.gz FYGNLXKFWWQFCJ-GMTAPVOTSA-N 2 0 350.419 0.138 20 0 FCADRP CN1C[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533923 855436679 /nfs/dbraw/zinc/43/66/79/855436679.db2.gz UAXLPZFLAPLWGG-DGCLKSJQSA-N 2 0 365.503 0.350 20 0 FCADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)sc2C1 ZINC001218533690 855436705 /nfs/dbraw/zinc/43/67/05/855436705.db2.gz RGKKEGABVPCACD-DRZSPHRISA-N 2 0 363.487 0.641 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218644102 855456033 /nfs/dbraw/zinc/45/60/33/855456033.db2.gz SIJKYDNECOMZKE-UWVGGRQHSA-N 2 0 351.436 0.093 20 0 FCADRP COc1ccc(Br)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001218656763 855459359 /nfs/dbraw/zinc/45/93/59/855459359.db2.gz MQXQSGBLPRXJMI-YMTOWFKASA-N 2 0 355.236 0.990 20 0 FCADRP Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cc(=O)o1 ZINC001218682870 855463784 /nfs/dbraw/zinc/46/37/84/855463784.db2.gz TYRMWCRVAKBHGE-KBPBESRZSA-N 2 0 350.419 0.334 20 0 FCADRP CCOC(=O)c1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccn1CC ZINC001218717648 855469242 /nfs/dbraw/zinc/46/92/42/855469242.db2.gz HGYFZGLQWZHPFK-CYBMUJFWSA-N 2 0 351.451 0.374 20 0 FCADRP CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)c2C1 ZINC001218754486 855475401 /nfs/dbraw/zinc/47/54/01/855475401.db2.gz RYFFECCTNAJFQV-ZDUSSCGKSA-N 2 0 365.503 0.367 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3scc4c3OCCO4)C[C@@H]21 ZINC001279136120 862685144 /nfs/dbraw/zinc/68/51/44/862685144.db2.gz XZLFZRSRVNNURX-KBPBESRZSA-N 2 0 353.488 0.966 20 0 FCADRP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218964971 855503643 /nfs/dbraw/zinc/50/36/43/855503643.db2.gz BCNPRCJLFSRBJN-DLBZAZTESA-N 2 0 351.491 0.811 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC001218971294 855505238 /nfs/dbraw/zinc/50/52/38/855505238.db2.gz WLWXLZDMQZQMDW-LSDHHAIUSA-N 2 0 361.433 0.522 20 0 FCADRP O=C(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cccc(Br)c1 ZINC001219577700 855720817 /nfs/dbraw/zinc/72/08/17/855720817.db2.gz KAEPGHBAANPKLH-GFCCVEGCSA-N 2 0 352.232 0.557 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610465 855732486 /nfs/dbraw/zinc/73/24/86/855732486.db2.gz OFGHSDWLIDRMSA-SWLSCSKDSA-N 2 0 359.348 0.858 20 0 FCADRP [NH3+][C@@H](C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001219610290 855732537 /nfs/dbraw/zinc/73/25/37/855732537.db2.gz NGBFKAPQTLASMP-DGCLKSJQSA-N 2 0 351.369 0.658 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccsc2)C1 ZINC001219615848 855734971 /nfs/dbraw/zinc/73/49/71/855734971.db2.gz GJUXFGOMXSHSFI-QBYUYEEZSA-N 2 0 370.494 0.391 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616601 855735069 /nfs/dbraw/zinc/73/50/69/855735069.db2.gz AOLXNTGSNJOKFL-RLFYNMQTSA-N 2 0 352.454 0.061 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737104 855792395 /nfs/dbraw/zinc/79/23/95/855792395.db2.gz OREULWSPQYQLGO-ONGXEEELSA-N 2 0 374.304 0.875 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219736930 855792990 /nfs/dbraw/zinc/79/29/90/855792990.db2.gz LCYQQFQENITMRW-HOTGVXAUSA-N 2 0 364.515 0.579 20 0 FCADRP Cc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC001219765273 855802501 /nfs/dbraw/zinc/80/25/01/855802501.db2.gz YGXNMFOUTYSUCN-SQNIBIBYSA-N 2 0 362.543 0.965 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219794384 855815740 /nfs/dbraw/zinc/81/57/40/855815740.db2.gz YFYIPHRMQWCXJD-QGZVFWFLSA-N 3 0 350.507 0.335 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796558 855816722 /nfs/dbraw/zinc/81/67/22/855816722.db2.gz GWIKIXJMOXEGEG-SQNIBIBYSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796856 855817582 /nfs/dbraw/zinc/81/75/82/855817582.db2.gz TXABHUNFLHSWEG-KURKYZTESA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)CCC1 ZINC001219802388 855820765 /nfs/dbraw/zinc/82/07/65/855820765.db2.gz LVOMTVMYQXDVFS-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805694 855824316 /nfs/dbraw/zinc/82/43/16/855824316.db2.gz PPCOLRMOTGFOBM-HZSPNIEDSA-N 2 0 367.412 0.457 20 0 FCADRP [NH3+][C@H](C(=O)NCc1noc2c1C[NH2+]CC2)C1CCC2(CC1)OCCO2 ZINC001219811348 855828268 /nfs/dbraw/zinc/82/82/68/855828268.db2.gz PSIZFFRNCJOHAA-HNNXBMFYSA-N 2 0 350.419 0.197 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823328 855831579 /nfs/dbraw/zinc/83/15/79/855831579.db2.gz PFRWZJJPTRXCLQ-ZIAGYGMSSA-N 3 0 350.488 0.461 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825544 855832439 /nfs/dbraw/zinc/83/24/39/855832439.db2.gz KUZZVEQVGNRAJS-NWDGAFQWSA-N 2 0 354.476 0.267 20 0 FCADRP C[NH2+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834484 855837173 /nfs/dbraw/zinc/83/71/73/855837173.db2.gz QLQKWWGRAAQAGF-BSXFFOKHSA-N 2 0 357.495 0.289 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001219837856 855839256 /nfs/dbraw/zinc/83/92/56/855839256.db2.gz MKSZXFVDJGHBNN-IIYDPXPESA-N 2 0 366.487 0.693 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)Cc1ccc(F)c(F)c1 ZINC001219851671 855846193 /nfs/dbraw/zinc/84/61/93/855846193.db2.gz AEXQYGWCBJAEEN-AYMQEEERSA-N 2 0 353.413 0.965 20 0 FCADRP COc1ccc(Br)cc1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219912271 855876554 /nfs/dbraw/zinc/87/65/54/855876554.db2.gz XEWXTKCWUJSFDM-CYBMUJFWSA-N 2 0 368.275 0.925 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3nccn3C)[C@@H](O)C2)C1 ZINC001220053309 855934729 /nfs/dbraw/zinc/93/47/29/855934729.db2.gz FJCABIMZWDVRKP-FJBKBRRZSA-N 2 0 350.463 0.329 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CCCC1 ZINC001220077889 855949122 /nfs/dbraw/zinc/94/91/22/855949122.db2.gz AHUFKNOGIUVNOQ-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP CN(C)Cc1nc(CSCCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cs1 ZINC001220128558 855974186 /nfs/dbraw/zinc/97/41/86/855974186.db2.gz JLFQAMUQXQCFOB-ZDUSSCGKSA-N 2 0 369.560 0.363 20 0 FCADRP COc1cc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc1OC1COC1 ZINC001220193953 856002757 /nfs/dbraw/zinc/00/27/57/856002757.db2.gz UWQSOISJJARFGE-ZDUSSCGKSA-N 2 0 355.460 0.108 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001220230555 856023747 /nfs/dbraw/zinc/02/37/47/856023747.db2.gz KEIGBFPBBBTSEL-IKGGRYGDSA-N 2 0 353.507 0.431 20 0 FCADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001220318781 856064127 /nfs/dbraw/zinc/06/41/27/856064127.db2.gz BCMMMKQGUIIHBN-HLLBOEOZSA-N 2 0 353.463 0.274 20 0 FCADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220384361 856099298 /nfs/dbraw/zinc/09/92/98/856099298.db2.gz QHHKGTYGCINFBY-CQSZACIVSA-N 2 0 354.476 0.342 20 0 FCADRP CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001220489643 856151870 /nfs/dbraw/zinc/15/18/70/856151870.db2.gz CTFTWUNZTJAOMF-INIZCTEOSA-N 2 0 365.499 0.971 20 0 FCADRP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220569334 856188194 /nfs/dbraw/zinc/18/81/94/856188194.db2.gz ISJRTLUOPQSSRN-AWEZNQCLSA-N 2 0 361.508 0.595 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607299 856204566 /nfs/dbraw/zinc/20/45/66/856204566.db2.gz JGTIKTXIKPQFNJ-DGCLKSJQSA-N 2 0 367.247 0.043 20 0 FCADRP CCCC[C@@](CC)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220638436 856215351 /nfs/dbraw/zinc/21/53/51/856215351.db2.gz SPXVFIPTDJZHHX-CRAIPNDOSA-N 2 0 356.511 0.755 20 0 FCADRP CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220682682 856239702 /nfs/dbraw/zinc/23/97/02/856239702.db2.gz GTGRUHAZTQWTRX-AWEZNQCLSA-N 2 0 351.472 0.581 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755425 856282519 /nfs/dbraw/zinc/28/25/19/856282519.db2.gz OJRSIYAHVJVUIT-MCIONIFRSA-N 2 0 367.412 0.459 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790823 856303099 /nfs/dbraw/zinc/30/30/99/856303099.db2.gz UZTJFJSLBVMPIT-ILXRZTDVSA-N 2 0 351.476 0.003 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886599 856358787 /nfs/dbraw/zinc/35/87/87/856358787.db2.gz HTPRFLWYHUEVJO-LSDHHAIUSA-N 2 0 350.488 0.232 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926756 856378058 /nfs/dbraw/zinc/37/80/58/856378058.db2.gz YPNRFWFBUYLWLI-UPCLLVRISA-N 2 0 352.504 0.506 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)c2ccsc2)C1 ZINC001220936150 856384629 /nfs/dbraw/zinc/38/46/29/856384629.db2.gz CYXNUSFBRRBYSM-BZUAXINKSA-N 2 0 352.504 0.707 20 0 FCADRP COc1ccccc1Cn1cncc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220968907 856399721 /nfs/dbraw/zinc/39/97/21/856399721.db2.gz HYNQZZSHLZJSGU-HNNXBMFYSA-N 2 0 363.487 0.575 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976340 856404005 /nfs/dbraw/zinc/40/40/05/856404005.db2.gz VIBLFEKNSSYBMQ-UPJWGTAASA-N 2 0 353.385 0.068 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073216 856448810 /nfs/dbraw/zinc/44/88/10/856448810.db2.gz LHTCZAFZNASGEM-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001221182164 856503132 /nfs/dbraw/zinc/50/31/32/856503132.db2.gz ZCYRFHFEERCTPO-LLVKDONJSA-N 2 0 360.384 0.647 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221248138 856528787 /nfs/dbraw/zinc/52/87/87/856528787.db2.gz KTIJWHSWUSYTNA-SJLPKXTDSA-N 2 0 350.507 0.478 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC001221271842 856534493 /nfs/dbraw/zinc/53/44/93/856534493.db2.gz KTPRBRVHRIXOQR-YDONVPIESA-N 3 0 364.474 0.976 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414045 856560661 /nfs/dbraw/zinc/56/06/61/856560661.db2.gz SBEPWRSOWKPRJX-WBVHZDCISA-N 2 0 354.882 0.766 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCCC1 ZINC001221553078 856604562 /nfs/dbraw/zinc/60/45/62/856604562.db2.gz QIVYCDLEWYGJRS-IAGOWNOFSA-N 2 0 353.507 0.793 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947183 856744480 /nfs/dbraw/zinc/74/44/80/856744480.db2.gz WTENICSNHRGTFX-MGPQQGTHSA-N 2 0 367.412 0.411 20 0 FCADRP CCO[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950624 856745613 /nfs/dbraw/zinc/74/56/13/856745613.db2.gz QCKNOSHYFGWIPV-KURKYZTESA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001222049770 856783794 /nfs/dbraw/zinc/78/37/94/856783794.db2.gz LRTIMSLDDAGISF-KURKYZTESA-N 2 0 353.507 0.648 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053482 856788183 /nfs/dbraw/zinc/78/81/83/856788183.db2.gz SBGNTUIJQBCVNS-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354661 856910574 /nfs/dbraw/zinc/91/05/74/856910574.db2.gz OZEWJDOIZMNWIS-ADHGMGHFSA-N 2 0 353.507 0.647 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223379573 856911931 /nfs/dbraw/zinc/91/19/31/856911931.db2.gz VNPNSHORJVBGNA-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430516 856915929 /nfs/dbraw/zinc/91/59/29/856915929.db2.gz MIUULCPRMZIZQX-BBWFWOEESA-N 2 0 371.547 0.686 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223721329 856939337 /nfs/dbraw/zinc/93/93/37/856939337.db2.gz HIXNKCAWLGJYHR-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223847046 856946691 /nfs/dbraw/zinc/94/66/91/856946691.db2.gz XDIVMTFJDRNIDB-CVEARBPZSA-N 2 0 351.495 0.276 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC3CCOCC3)[C@H]2C1 ZINC001223916766 856950708 /nfs/dbraw/zinc/95/07/08/856950708.db2.gz PMXWWNBFQMLSRA-MSOLQXFVSA-N 2 0 353.507 0.914 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223985273 856954301 /nfs/dbraw/zinc/95/43/01/856954301.db2.gz XBOBNJOXJFXYQY-WBVHZDCISA-N 2 0 350.507 0.777 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224290061 856978026 /nfs/dbraw/zinc/97/80/26/856978026.db2.gz YEIIVJQYEYYJHU-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226296709 857096094 /nfs/dbraw/zinc/09/60/94/857096094.db2.gz NDRRKFWXRGKDMJ-BRWVUGGUSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001226342066 857098483 /nfs/dbraw/zinc/09/84/83/857098483.db2.gz QVMDYLYWBVGESM-ZJIFWQFVSA-N 2 0 374.551 0.283 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001226766302 857124892 /nfs/dbraw/zinc/12/48/92/857124892.db2.gz LPCOGMRBRDMQIV-JHJVBQTASA-N 2 0 353.467 0.071 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227083778 857140094 /nfs/dbraw/zinc/14/00/94/857140094.db2.gz XRZVJEJNHSFFGR-RBSFLKMASA-N 2 0 360.524 0.037 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)CC1 ZINC001228334021 857204224 /nfs/dbraw/zinc/20/42/24/857204224.db2.gz IZVWZWHSZYXNMK-IAGOWNOFSA-N 2 0 350.507 0.871 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)no1 ZINC001228365369 857206604 /nfs/dbraw/zinc/20/66/04/857206604.db2.gz DEWBOACRUYGSAA-ZIAGYGMSSA-N 2 0 351.451 0.890 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)s1 ZINC001228365681 857206822 /nfs/dbraw/zinc/20/68/22/857206822.db2.gz HLUSRGNJSNSGGJ-CHWSQXEVSA-N 2 0 368.507 0.754 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001228377417 857207695 /nfs/dbraw/zinc/20/76/95/857207695.db2.gz QIGPFFJTOJACTN-MGPQQGTHSA-N 2 0 369.428 0.895 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001228603983 857218381 /nfs/dbraw/zinc/21/83/81/857218381.db2.gz VPLHSJSUFNNBNL-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229215035 857258600 /nfs/dbraw/zinc/25/86/00/857258600.db2.gz UMRINLJFXFQAFH-HUUCEWRRSA-N 2 0 352.479 0.494 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229238640 857260094 /nfs/dbraw/zinc/26/00/94/857260094.db2.gz RUMTYVJOWSQUDM-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229504181 857272956 /nfs/dbraw/zinc/27/29/56/857272956.db2.gz PKRWNGYAGYGBQC-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP Cn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709143 857283360 /nfs/dbraw/zinc/28/33/60/857283360.db2.gz CIUHFUBCXNWPRM-IAGOWNOFSA-N 2 0 351.495 0.558 20 0 FCADRP CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229710156 857283409 /nfs/dbraw/zinc/28/34/09/857283409.db2.gz NQBFFRYEXMUFFL-OAGGEKHMSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC001229709135 857283511 /nfs/dbraw/zinc/28/35/11/857283511.db2.gz CEYWQZWAGHZQNM-ZIAGYGMSSA-N 2 0 351.438 0.863 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001229715864 857283730 /nfs/dbraw/zinc/28/37/30/857283730.db2.gz ARCDEMMZGUTNKU-HUUCEWRRSA-N 2 0 363.524 0.016 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717770 857284225 /nfs/dbraw/zinc/28/42/25/857284225.db2.gz XKCTVQYDNVJPEO-HZPDHXFCSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001229717607 857284250 /nfs/dbraw/zinc/28/42/50/857284250.db2.gz TZUSBQFIRCGZQR-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229869003 857290248 /nfs/dbraw/zinc/29/02/48/857290248.db2.gz UDCABIWDCHUFIW-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4(C)COC4)CC3)[C@@H]2C1 ZINC001279459212 862894376 /nfs/dbraw/zinc/89/43/76/862894376.db2.gz BNNLNGDHDSACCH-HZPDHXFCSA-N 2 0 350.507 0.097 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230280283 857322374 /nfs/dbraw/zinc/32/23/74/857322374.db2.gz SVYUDOYTNYGHDW-HZPDHXFCSA-N 2 0 356.511 0.496 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001230274853 857322872 /nfs/dbraw/zinc/32/28/72/857322872.db2.gz PDRYXACFIYPMAV-HUUCEWRRSA-N 2 0 352.479 0.493 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868978 857432379 /nfs/dbraw/zinc/43/23/79/857432379.db2.gz DIAXOXKJLCRRAZ-UHFFFAOYSA-N 3 0 366.579 0.503 20 0 FCADRP [NH3+]CCN(CC[NH3+])Cc1cccnc1S(=O)(=O)c1ccc(F)cc1 ZINC001235880961 857434487 /nfs/dbraw/zinc/43/44/87/857434487.db2.gz SDFWRORHWNWTER-UHFFFAOYSA-N 2 0 352.435 0.773 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN(CC[NH3+])CC[NH3+])c1C ZINC001235877165 857434644 /nfs/dbraw/zinc/43/46/44/857434644.db2.gz HTWXGHPXVXPZEB-UHFFFAOYSA-N 3 0 352.527 0.423 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c(N)ncnc3Cl)C[C@H]1C2 ZINC001236026834 857435452 /nfs/dbraw/zinc/43/54/52/857435452.db2.gz KTMSUOMLHCZNAC-HDINQQKLSA-N 2 0 351.838 0.543 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2[nH]ccc2c1Cl ZINC001236309876 857438248 /nfs/dbraw/zinc/43/82/48/857438248.db2.gz RJKVSJPSHZDAPW-UHFFFAOYSA-N 2 0 352.870 0.784 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc2c(cc1Cl)OCO2 ZINC001236310278 857438816 /nfs/dbraw/zinc/43/88/16/857438816.db2.gz WJHASKSSUVMPFT-UHFFFAOYSA-N 2 0 356.854 0.685 20 0 FCADRP COc1ccc(OC)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1F ZINC001236311953 857439814 /nfs/dbraw/zinc/43/98/14/857439814.db2.gz OBXWBPWFIAEYIW-UHFFFAOYSA-N 2 0 356.442 0.459 20 0 FCADRP Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Br)n1 ZINC001236314130 857439835 /nfs/dbraw/zinc/43/98/35/857439835.db2.gz ISOKTEOQDJGXMM-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP CCOc1nccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1Cl ZINC001236314113 857439934 /nfs/dbraw/zinc/43/99/34/857439934.db2.gz IHMQIYGZWJHSPL-UHFFFAOYSA-N 2 0 357.886 0.750 20 0 FCADRP CC(C)Oc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)cn1 ZINC001236318029 857441047 /nfs/dbraw/zinc/44/10/47/857441047.db2.gz YZTRHLQTVKXCRB-UHFFFAOYSA-N 2 0 355.458 0.624 20 0 FCADRP [NH3+]C1CCN(c2ncccc2NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001237528814 857454079 /nfs/dbraw/zinc/45/40/79/857454079.db2.gz CEUWIMIGGKNCDU-UHFFFAOYSA-N 2 0 353.492 0.750 20 0 FCADRP O=C(c1cccc(NS(=O)(=O)C2CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC001237816004 857457618 /nfs/dbraw/zinc/45/76/18/857457618.db2.gz BXLABZQQTGZKAN-UHFFFAOYSA-N 2 0 352.460 0.226 20 0 FCADRP COc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238241882 857465175 /nfs/dbraw/zinc/46/51/75/857465175.db2.gz MPCXIKMQKXDFHY-ZDUSSCGKSA-N 2 0 357.451 0.987 20 0 FCADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238433660 857471883 /nfs/dbraw/zinc/47/18/83/857471883.db2.gz XOCUESLCGSOPCP-AWEZNQCLSA-N 2 0 363.524 0.745 20 0 FCADRP CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238879057 857485800 /nfs/dbraw/zinc/48/58/00/857485800.db2.gz NSGLMUFQQLLVCV-UHFFFAOYSA-N 2 0 372.491 0.651 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001239075963 857505247 /nfs/dbraw/zinc/50/52/47/857505247.db2.gz LSZHPBMSZKKOIR-QZTJIDSGSA-N 2 0 364.515 0.775 20 0 FCADRP CN(C)S(=O)(=O)N1CCC2(C1)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001279501548 862920219 /nfs/dbraw/zinc/92/02/19/862920219.db2.gz IGSLRCAVFGVULQ-MRXNPFEDSA-N 2 0 358.552 0.923 20 0 FCADRP CCOC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239253106 857525559 /nfs/dbraw/zinc/52/55/59/857525559.db2.gz NWALEHCULCPNNF-INIZCTEOSA-N 2 0 350.463 0.789 20 0 FCADRP CCOc1ccccc1NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239295633 857526974 /nfs/dbraw/zinc/52/69/74/857526974.db2.gz KYPYVABXHCZIFG-UHFFFAOYSA-N 2 0 351.451 0.733 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=S)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001239394866 857527509 /nfs/dbraw/zinc/52/75/09/857527509.db2.gz HYMSGYHWSYAUDB-UHFFFAOYSA-N 2 0 359.521 0.339 20 0 FCADRP COc1ccc(C)cc1NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239453412 857529665 /nfs/dbraw/zinc/52/96/65/857529665.db2.gz VQFCGDONMABEOK-UHFFFAOYSA-N 2 0 367.519 0.816 20 0 FCADRP O=S(=O)(c1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1)C1C[NH2+]C1 ZINC001240491442 857535586 /nfs/dbraw/zinc/53/55/86/857535586.db2.gz KUOGROYNKZFYRR-UHFFFAOYSA-N 2 0 358.467 0.904 20 0 FCADRP O[C@H](CNc1cc(F)ccc1O[C@@H]1CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245967959 857561489 /nfs/dbraw/zinc/56/14/89/857561489.db2.gz KZZYFWCYIPKNPE-LSDHHAIUSA-N 2 0 353.438 0.844 20 0 FCADRP O[C@H](CNc1c(F)cccc1O[C@@H]1CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245968039 857561705 /nfs/dbraw/zinc/56/17/05/857561705.db2.gz LYZQYFQNYULQPR-UONOGXRCSA-N 2 0 353.438 0.844 20 0 FCADRP [NH3+][C@@H]1CCN(c2c(F)cccc2NC[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245967824 857561966 /nfs/dbraw/zinc/56/19/66/857561966.db2.gz INEKFYOQAHRNDT-KGLIPLIRSA-N 2 0 352.454 0.641 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001245979038 857563192 /nfs/dbraw/zinc/56/31/92/857563192.db2.gz SAILABXWTRHBJQ-XMTFNYHQSA-N 3 0 355.429 0.696 20 0 FCADRP O[C@H](CNC1(c2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008031 857564903 /nfs/dbraw/zinc/56/49/03/857564903.db2.gz RRXJZJRWWBIFBT-KRWDZBQOSA-N 2 0 351.466 0.860 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOCC12CC[NH2+]CC2 ZINC001246030256 857565662 /nfs/dbraw/zinc/56/56/62/857565662.db2.gz GJZFYLKQMXMAFI-DLBZAZTESA-N 2 0 355.429 0.650 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C[C@H]1C(=O)OC ZINC001246215921 857571724 /nfs/dbraw/zinc/57/17/24/857571724.db2.gz SZKHLNUNWQADOS-APHBMKBZSA-N 2 0 353.463 0.143 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246344409 857574156 /nfs/dbraw/zinc/57/41/56/857574156.db2.gz YVYGRVDXEOSUOJ-YFKTTZPYSA-N 2 0 352.426 0.380 20 0 FCADRP O=S1(=O)CCCCN1c1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246432187 857579651 /nfs/dbraw/zinc/57/96/51/857579651.db2.gz CSEOXGAWBCVQME-MRXNPFEDSA-N 2 0 364.515 0.800 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683355 857589057 /nfs/dbraw/zinc/58/90/57/857589057.db2.gz SBAVTUHCLAKGJI-XSWJXKHESA-N 2 0 353.463 0.145 20 0 FCADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246685275 857589102 /nfs/dbraw/zinc/58/91/02/857589102.db2.gz CNKJJECKDNERHC-PBWFPOADSA-N 2 0 353.492 0.421 20 0 FCADRP C[C@@H]1CC[C@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754183 857598912 /nfs/dbraw/zinc/59/89/12/857598912.db2.gz SSAMNRAJZUURBX-SJORKVTESA-N 2 0 352.523 0.630 20 0 FCADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCNCC[NH2+]CCNCC1)CC2 ZINC001246823008 857601764 /nfs/dbraw/zinc/60/17/64/857601764.db2.gz UELIMFNIQKDKEZ-HFCFLWKCSA-N 2 0 352.523 0.583 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CN1 ZINC001246854799 857602932 /nfs/dbraw/zinc/60/29/32/857602932.db2.gz HJLSOTVZNSJZNI-LDDOYCOJSA-N 2 0 353.463 0.145 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246923665 857605577 /nfs/dbraw/zinc/60/55/77/857605577.db2.gz DZGNPWVTZFWWLV-HNNXBMFYSA-N 2 0 354.445 0.938 20 0 FCADRP COc1cccc2c1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CO2 ZINC001246924747 857605669 /nfs/dbraw/zinc/60/56/69/857605669.db2.gz JISNASBICLYPIN-CQSZACIVSA-N 2 0 350.463 0.115 20 0 FCADRP C(C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938776 857606573 /nfs/dbraw/zinc/60/65/73/857606573.db2.gz UAACCLTXZGZFLK-GOSISDBHSA-N 3 0 352.523 0.141 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC4CC4)CC3)[C@H]2C1 ZINC001279514844 862930324 /nfs/dbraw/zinc/93/03/24/862930324.db2.gz UGIMZSYMNPXLOT-IRXDYDNUSA-N 2 0 351.491 0.919 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279518436 862933012 /nfs/dbraw/zinc/93/30/12/862933012.db2.gz VKVYEKWAZGPTBV-QAPCUYQASA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H](O)COCC(F)(F)C(F)F)CCC1=O ZINC001251583972 857733618 /nfs/dbraw/zinc/73/36/18/857733618.db2.gz PNQQNBKLVABESN-LBPRGKRZSA-N 2 0 373.391 0.360 20 0 FCADRP O[C@H](C[NH2+]CC1CC[NH+](C2COC2)CC1)COCC(F)(F)C(F)F ZINC001251649558 857739835 /nfs/dbraw/zinc/73/98/35/857739835.db2.gz CMAFFPORDRLRJN-CYBMUJFWSA-N 2 0 358.376 0.965 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1C[N@H+](CC1(O)CCOCC1)CCC2 ZINC001252961075 857851723 /nfs/dbraw/zinc/85/17/23/857851723.db2.gz VZABQQJUZOIDNG-UHFFFAOYSA-N 2 0 352.479 0.709 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC001253063917 857857065 /nfs/dbraw/zinc/85/70/65/857857065.db2.gz HZZSPKXQUCUXPT-GOSISDBHSA-N 2 0 351.491 0.452 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001253215340 857872817 /nfs/dbraw/zinc/87/28/17/857872817.db2.gz WKXPXNGWGHMRCZ-BZUAXINKSA-N 2 0 359.511 0.897 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CNCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001253213937 857872976 /nfs/dbraw/zinc/87/29/76/857872976.db2.gz OIUBHRWSKFZMRE-SFHVURJKSA-N 2 0 354.539 0.756 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204038 857873298 /nfs/dbraw/zinc/87/32/98/857873298.db2.gz OTCOPNNEGYARFU-SJORKVTESA-N 2 0 351.491 0.644 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001253367976 857882869 /nfs/dbraw/zinc/88/28/69/857882869.db2.gz CMJRPVPOTNCHTD-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001253406521 857886022 /nfs/dbraw/zinc/88/60/22/857886022.db2.gz OMKFGFKPTJQOTM-SOUVJXGZSA-N 2 0 359.511 0.943 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253631657 857896752 /nfs/dbraw/zinc/89/67/52/857896752.db2.gz KGJATGANJXMIPF-LJQANCHMSA-N 2 0 351.491 0.906 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1=O ZINC001254237265 857949408 /nfs/dbraw/zinc/94/94/08/857949408.db2.gz KWGQDTNYUFPXAP-NSHDSACASA-N 2 0 360.415 0.050 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254247805 857949540 /nfs/dbraw/zinc/94/95/40/857949540.db2.gz VGEWLVKYMWPDKH-STQMWFEESA-N 2 0 356.467 0.746 20 0 FCADRP CCOC(=O)CN1CCC([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001254411161 857970970 /nfs/dbraw/zinc/97/09/70/857970970.db2.gz LLDQMKABDGWMGG-UHFFFAOYSA-N 2 0 352.523 0.727 20 0 FCADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520406 857977377 /nfs/dbraw/zinc/97/73/77/857977377.db2.gz XKWCGSNIYSXJFC-XLAORIBOSA-N 2 0 351.491 0.666 20 0 FCADRP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH+]1CCN(CC[NH3+])CC1)CCO2 ZINC001254809802 857987596 /nfs/dbraw/zinc/98/75/96/857987596.db2.gz NRQBOHADJJRBOL-HNNXBMFYSA-N 2 0 354.495 0.731 20 0 FCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCSC1 ZINC001255272481 858006208 /nfs/dbraw/zinc/00/62/08/858006208.db2.gz YVTOSBOTEIEKKL-INIZCTEOSA-N 2 0 366.524 0.123 20 0 FCADRP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032505 858049463 /nfs/dbraw/zinc/04/94/63/858049463.db2.gz QIHKYMVMKJJRHG-IXDOHACOSA-N 2 0 355.479 0.886 20 0 FCADRP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326071 858067972 /nfs/dbraw/zinc/06/79/72/858067972.db2.gz IMHZPKIFLICWRN-ZIAGYGMSSA-N 2 0 358.483 0.803 20 0 FCADRP CS(=O)(=O)N1C[C@H]2CCC[N@@H+](C3CCC([NH+]4CCOCC4)CC3)[C@H]2C1 ZINC001256693062 858095254 /nfs/dbraw/zinc/09/52/54/858095254.db2.gz JAVINCPEBMSBGY-CPFNUKBASA-N 2 0 371.547 0.986 20 0 FCADRP CC(C)[NH+]1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001257210410 858126441 /nfs/dbraw/zinc/12/64/41/858126441.db2.gz OOYIVKVNMBWXBB-UHFFFAOYSA-N 3 0 361.527 0.474 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001261524698 858578995 /nfs/dbraw/zinc/57/89/95/858578995.db2.gz HWBJCINFLZRSAB-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261523197 858579225 /nfs/dbraw/zinc/57/92/25/858579225.db2.gz QEBJGELSPRVULI-BXWFABGCSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261635894 858616333 /nfs/dbraw/zinc/61/63/33/858616333.db2.gz SGSCJFLGMLTONL-BXWFABGCSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12C[NH+](CCN1CCOCC1)C2 ZINC001279772851 863054785 /nfs/dbraw/zinc/05/47/85/863054785.db2.gz UOBYRSGJFMIWLH-QGZVFWFLSA-N 2 0 352.523 0.441 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H]1C(F)(F)F ZINC001262036129 858764417 /nfs/dbraw/zinc/76/44/17/858764417.db2.gz GYMZVSZHSKOCHS-CHWSQXEVSA-N 2 0 357.380 0.700 20 0 FCADRP COCCC1(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]CC1 ZINC001262091755 858777763 /nfs/dbraw/zinc/77/77/63/858777763.db2.gz UJDNZKIJDYPWDM-HZPDHXFCSA-N 2 0 356.511 0.944 20 0 FCADRP CSC1(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764506 859206675 /nfs/dbraw/zinc/20/66/75/859206675.db2.gz LFVNSJYQBUFIGB-GJZGRUSLSA-N 2 0 357.568 0.747 20 0 FCADRP Cc1ncsc1C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001269992811 859625110 /nfs/dbraw/zinc/62/51/10/859625110.db2.gz ZHCQUDLZOKRNFI-OKILXGFUSA-N 2 0 364.519 0.947 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001270155068 859668663 /nfs/dbraw/zinc/66/86/63/859668663.db2.gz FENAVDGEOFVRQL-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)CC[NH+]3CCCC3)CC2)C1=O ZINC001271061318 859891199 /nfs/dbraw/zinc/89/11/99/859891199.db2.gz LJCHIUZRZSSLPX-UHFFFAOYSA-N 2 0 350.507 0.875 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001273192995 860406329 /nfs/dbraw/zinc/40/63/29/860406329.db2.gz VPZRKYQYYIFOIS-JTDSTZFVSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001273405902 860480399 /nfs/dbraw/zinc/48/03/99/860480399.db2.gz WLKWOGGZCNNFEY-MSOLQXFVSA-N 2 0 352.523 0.580 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001273406030 860480561 /nfs/dbraw/zinc/48/05/61/860480561.db2.gz YFVIUVWMCLEXDM-HDICACEKSA-N 2 0 352.523 0.580 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273452924 860493996 /nfs/dbraw/zinc/49/39/96/860493996.db2.gz FSUFFWHCRCGBAG-FCEWJHQRSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273547006 860527754 /nfs/dbraw/zinc/52/77/54/860527754.db2.gz DWNDJAXXZCBGER-IAGOWNOFSA-N 2 0 360.449 0.381 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@H](C1)O2 ZINC001273558164 860529425 /nfs/dbraw/zinc/52/94/25/860529425.db2.gz FYLFMCBBFVCOSM-CALCHBBNSA-N 2 0 350.507 0.478 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)CC12CCC[NH+]1CCC2 ZINC001273558319 860529499 /nfs/dbraw/zinc/52/94/99/860529499.db2.gz IIDAXRYPLBPGTA-CALCHBBNSA-N 2 0 350.507 0.478 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273834098 860613353 /nfs/dbraw/zinc/61/33/53/860613353.db2.gz AMRWHMNMMYWOGD-HKUYNNGSSA-N 2 0 352.523 0.583 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](C)C1)CC2 ZINC001273836636 860614111 /nfs/dbraw/zinc/61/41/11/860614111.db2.gz YCLWYIYMGZSPHJ-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274305796 860727498 /nfs/dbraw/zinc/72/74/98/860727498.db2.gz OQBKJVGXYLJICN-ROUUACIJSA-N 2 0 354.539 0.972 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274400656 860742720 /nfs/dbraw/zinc/74/27/20/860742720.db2.gz WSXPWGQOVQEAIP-BBWFWOEESA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](CC2CCC2)C3)CC1 ZINC001275149346 860958353 /nfs/dbraw/zinc/95/83/53/860958353.db2.gz XKQVVFCHYYLYCR-UHFFFAOYSA-N 2 0 350.507 0.337 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)[NH+](C)C ZINC001275222567 860992129 /nfs/dbraw/zinc/99/21/29/860992129.db2.gz FOJSWELOWUIXMX-MJGOQNOKSA-N 2 0 354.539 0.828 20 0 FCADRP COCCOCN1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508438 861115075 /nfs/dbraw/zinc/11/50/75/861115075.db2.gz SUFCHTNTSWTQDP-SFHVURJKSA-N 2 0 357.495 0.498 20 0 FCADRP CCOCCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556416 861127524 /nfs/dbraw/zinc/12/75/24/861127524.db2.gz KJFUVMMWQOUENH-LJQANCHMSA-N 2 0 353.507 0.916 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736394 861178753 /nfs/dbraw/zinc/17/87/53/861178753.db2.gz DLSYBAVSJLDPAW-KBXCAEBGSA-N 2 0 350.463 0.091 20 0 FCADRP CCS(=O)(=O)CCNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275736137 861178874 /nfs/dbraw/zinc/17/88/74/861178874.db2.gz BUMCSNOZKNLIMH-MRXNPFEDSA-N 2 0 371.547 0.639 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736402 861180207 /nfs/dbraw/zinc/18/02/07/861180207.db2.gz DLSYBAVSJLDPAW-KSSFIOAISA-N 2 0 350.463 0.091 20 0 FCADRP CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275736705 861180847 /nfs/dbraw/zinc/18/08/47/861180847.db2.gz GJNNJCJPJPUQFU-HZPDHXFCSA-N 2 0 357.520 0.486 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743669 861187686 /nfs/dbraw/zinc/18/76/86/861187686.db2.gz UKMHUHYIYMAKLV-VQIMIIECSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743666 861187737 /nfs/dbraw/zinc/18/77/37/861187737.db2.gz UKMHUHYIYMAKLV-APWZRJJASA-N 2 0 350.507 0.907 20 0 FCADRP CN(C)C(=O)CNC(=O)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001279870663 863106749 /nfs/dbraw/zinc/10/67/49/863106749.db2.gz DIASZIGHLIRGMJ-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCS(C)(=O)=O)CC1 ZINC001280125446 863276301 /nfs/dbraw/zinc/27/63/01/863276301.db2.gz IYEOKUQSVJEKPA-LTIDMASMSA-N 2 0 371.547 0.493 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@H+](C[C@@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195818 863325393 /nfs/dbraw/zinc/32/53/93/863325393.db2.gz VSUXXOZOZYSWJX-UBDQQSCGSA-N 2 0 351.491 0.855 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)N4CCCCO4)=NO[C@@H]3C2)CC1 ZINC001280257071 863364783 /nfs/dbraw/zinc/36/47/83/863364783.db2.gz RUTUBXCLWQVOHW-JKSUJKDBSA-N 2 0 350.463 0.959 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001282053873 864047125 /nfs/dbraw/zinc/04/71/25/864047125.db2.gz GOIODZZLCZICQR-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285229666 864616944 /nfs/dbraw/zinc/61/69/44/864616944.db2.gz VDMMNPQFIUXBST-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP O=C(NC/C=C/Cl)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001351142354 866790718 /nfs/dbraw/zinc/79/07/18/866790718.db2.gz QDCRHCLBNHLICN-ORCRQEGFSA-N 2 0 365.865 0.579 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001353468424 867430422 /nfs/dbraw/zinc/43/04/22/867430422.db2.gz BZWUVUMQTGMENB-OAHLLOKOSA-N 2 0 350.463 0.645 20 0 FCADRP O=C(CNC(=O)NC[C@H]1CCCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC001353515552 867442297 /nfs/dbraw/zinc/44/22/97/867442297.db2.gz ZQGONJVRENWGED-MRXNPFEDSA-N 2 0 353.511 0.810 20 0 FCADRP 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 ZINC001317078258 867518882 /nfs/dbraw/zinc/51/88/82/867518882.db2.gz MDFQJLYKSSTKSV-DDHJBXDOSA-N 2 0 350.385 0.242 20 0 FCADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCS(=O)(=O)C1 ZINC001317541217 867539540 /nfs/dbraw/zinc/53/95/40/867539540.db2.gz VISFOKVLSJQUAK-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)n1 ZINC001319440691 867917605 /nfs/dbraw/zinc/91/76/05/867917605.db2.gz BDBKEIXHZARZMA-ZIAGYGMSSA-N 2 0 350.467 0.372 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320064259 868073079 /nfs/dbraw/zinc/07/30/79/868073079.db2.gz PUQUHZWKIPUMGH-QGZVFWFLSA-N 2 0 353.507 0.937 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001357397415 868110117 /nfs/dbraw/zinc/11/01/17/868110117.db2.gz PZHLBCXFHCLXQK-MRXNPFEDSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001358666289 868244699 /nfs/dbraw/zinc/24/46/99/868244699.db2.gz MNOFEQMGWVQWNT-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001323400588 869176736 /nfs/dbraw/zinc/17/67/36/869176736.db2.gz RGAYDHROBWNYPC-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP OC[C@H]1C[N@H+](CCOCC[NH+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC001323999214 869442107 /nfs/dbraw/zinc/44/21/07/869442107.db2.gz LJZZUSADMJBHLT-OKILXGFUSA-N 2 0 372.403 0.902 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325706768 869994279 /nfs/dbraw/zinc/99/42/79/869994279.db2.gz YBOJLXHLKIZHGA-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001326582863 870395204 /nfs/dbraw/zinc/39/52/04/870395204.db2.gz UBVBNRYSZPPBIP-BFYDXBDKSA-N 2 0 371.547 0.937 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001326608489 870407688 /nfs/dbraw/zinc/40/76/88/870407688.db2.gz QTTVVLLZUMOVKA-LPHOPBHVSA-N 2 0 350.507 0.764 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001343434016 870423334 /nfs/dbraw/zinc/42/33/34/870423334.db2.gz LPLXVMBIYDGCTB-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001343434020 870423408 /nfs/dbraw/zinc/42/34/08/870423408.db2.gz LPLXVMBIYDGCTB-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001343453614 870436717 /nfs/dbraw/zinc/43/67/17/870436717.db2.gz QMVRHXLOAQSDDL-DZGCQCFKSA-N 2 0 352.454 0.855 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001345964228 871579486 /nfs/dbraw/zinc/57/94/86/871579486.db2.gz CPCLXJGALBWRMY-XSLAGTTESA-N 2 0 352.523 0.628 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001328768242 871614948 /nfs/dbraw/zinc/61/49/48/871614948.db2.gz JEIDIBCBUAVTRW-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001346205147 871707106 /nfs/dbraw/zinc/70/71/06/871707106.db2.gz ZOFSAOWAHLNHMJ-SFHVURJKSA-N 2 0 369.531 0.741 20 0 FCADRP Cc1nnc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC001346441424 871842920 /nfs/dbraw/zinc/84/29/20/871842920.db2.gz PLGVGWZPBGESHM-GASCZTMLSA-N 2 0 364.519 0.999 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@@H]3[C@@H]1CCC[N@@H+]3CCO)C2 ZINC001346537621 871890067 /nfs/dbraw/zinc/89/00/67/871890067.db2.gz KWCPJUVGJIKLHL-KGLIPLIRSA-N 2 0 365.503 0.611 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC001346570171 871912016 /nfs/dbraw/zinc/91/20/16/871912016.db2.gz PMVMTCWQLWGKOX-IAGOWNOFSA-N 2 0 353.511 0.337 20 0 FCADRP C[C@@H]1CCCN(C(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001346623036 871936498 /nfs/dbraw/zinc/93/64/98/871936498.db2.gz IUDMAZOLQPAOCD-MRXNPFEDSA-N 2 0 355.527 0.770 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH+]2C)CC1 ZINC001346696766 871961947 /nfs/dbraw/zinc/96/19/47/871961947.db2.gz UYPKVDAYROPFRB-HZPDHXFCSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001347103322 872160084 /nfs/dbraw/zinc/16/00/84/872160084.db2.gz XQIBFUGOFHGXOS-MRXNPFEDSA-N 2 0 353.511 0.129 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)nn1 ZINC001347156883 872191472 /nfs/dbraw/zinc/19/14/72/872191472.db2.gz FAWOCIMHOANGNZ-OAHLLOKOSA-N 2 0 350.467 0.344 20 0 FCADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001330006950 872416005 /nfs/dbraw/zinc/41/60/05/872416005.db2.gz CVRLSMILIIUXAI-BRWVUGGUSA-N 2 0 353.532 0.871 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001330615346 872734255 /nfs/dbraw/zinc/73/42/55/872734255.db2.gz ODGISHXKDQCNRS-INIZCTEOSA-N 2 0 354.405 0.966 20 0 FCADRP [NH3+]C1CCN(CCc2cn(Cc3cc(=O)n4ccsc4n3)nn2)CC1 ZINC001330779847 872811377 /nfs/dbraw/zinc/81/13/77/872811377.db2.gz QVBKZQKKQUWCBQ-UHFFFAOYSA-N 2 0 359.459 0.361 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2)CC1 ZINC001330868242 872851661 /nfs/dbraw/zinc/85/16/61/872851661.db2.gz YLYJMEAVPYIHOY-HNNXBMFYSA-N 2 0 354.476 0.139 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119788 872968106 /nfs/dbraw/zinc/96/81/06/872968106.db2.gz PXTJMZKWAJSQCG-OVYGPGRDSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001331705281 873206341 /nfs/dbraw/zinc/20/63/41/873206341.db2.gz BOKYJNWJPUNYBB-HTQZYQBOSA-N 2 0 350.320 0.477 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCCCC2)c1 ZINC001332393723 873492378 /nfs/dbraw/zinc/49/23/78/873492378.db2.gz KQXXELCDSRCSIZ-OAHLLOKOSA-N 2 0 354.476 0.770 20 0 FCADRP C[C@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573604738 947515844 /nfs/dbraw/zinc/51/58/44/947515844.db2.gz QNCVYNAVYPSVPU-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918589 948853589 /nfs/dbraw/zinc/85/35/89/948853589.db2.gz OGODGQQMNSABIA-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574705168 949416555 /nfs/dbraw/zinc/41/65/55/949416555.db2.gz RWFFTQRMGRMESE-GFCCVEGCSA-N 2 0 356.434 0.038 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264206 949420816 /nfs/dbraw/zinc/42/08/16/949420816.db2.gz MWRGDUYSARDFMJ-CJNGLKHVSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711925 949565966 /nfs/dbraw/zinc/56/59/66/949565966.db2.gz OBMXWRAQXNFBJQ-GFCCVEGCSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575271431 949618194 /nfs/dbraw/zinc/61/81/94/949618194.db2.gz KIEQRYQCFCYBKN-KBPBESRZSA-N 2 0 372.477 0.935 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574714072 949619183 /nfs/dbraw/zinc/61/91/83/949619183.db2.gz ZZZHUMGIFPNVNM-WFASDCNBSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575271790 949628870 /nfs/dbraw/zinc/62/88/70/949628870.db2.gz MDKGEQKNMMYYGH-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717476 949738100 /nfs/dbraw/zinc/73/81/00/949738100.db2.gz WCNVCQFDCHAPHK-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574963337 949750832 /nfs/dbraw/zinc/75/08/32/949750832.db2.gz IKLZZKNMIJFFNG-MJBXVCDLSA-N 2 0 372.477 0.933 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574721090 949808408 /nfs/dbraw/zinc/80/84/08/949808408.db2.gz IZXSOZGGTFXFSU-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574721206 949814445 /nfs/dbraw/zinc/81/44/45/949814445.db2.gz LACYMQNWCPCGRB-NSHDSACASA-N 2 0 351.480 0.816 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196697 950365131 /nfs/dbraw/zinc/36/51/31/950365131.db2.gz GAHHAXZAFUPHEJ-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203265 950440618 /nfs/dbraw/zinc/44/06/18/950440618.db2.gz FXNOAAJPGOXJNF-IYXRBSQSSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205475 950517846 /nfs/dbraw/zinc/51/78/46/950517846.db2.gz YZZFCAGBNOAOSZ-CHWSQXEVSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205480 950519739 /nfs/dbraw/zinc/51/97/39/950519739.db2.gz YZZFCAGBNOAOSZ-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206256 950564138 /nfs/dbraw/zinc/56/41/38/950564138.db2.gz VVEZZJRWZHVHHS-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575921377 950637725 /nfs/dbraw/zinc/63/77/25/950637725.db2.gz NOSLXLYWWZATSA-TZMCWYRMSA-N 2 0 368.445 0.181 20 0 FCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575923299 950658603 /nfs/dbraw/zinc/65/86/03/950658603.db2.gz QMRUSHFFCKFZHN-WFASDCNBSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575927043 950730870 /nfs/dbraw/zinc/73/08/70/950730870.db2.gz ZTKFIYBRZRGKPK-JSGCOSHPSA-N 2 0 370.461 0.427 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040161 951664067 /nfs/dbraw/zinc/66/40/67/951664067.db2.gz NNSLWMLKMASBSN-OAHLLOKOSA-N 2 0 367.457 0.653 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079018 951687584 /nfs/dbraw/zinc/68/75/84/951687584.db2.gz ONVPYZVTYVLQDQ-GFCCVEGCSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575099592 951837062 /nfs/dbraw/zinc/83/70/62/951837062.db2.gz NLNRGDOTBUCDOB-WCQYABFASA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099812 951840404 /nfs/dbraw/zinc/84/04/04/951840404.db2.gz OXBMAAIJWJXPQV-DGCLKSJQSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107046 951911508 /nfs/dbraw/zinc/91/15/08/951911508.db2.gz XXQCEQHLGYLUNM-XJKSGUPXSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113889 951949885 /nfs/dbraw/zinc/94/98/85/951949885.db2.gz HRVRBMVUKDFHKD-BBRMVZONSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575146854 952198073 /nfs/dbraw/zinc/19/80/73/952198073.db2.gz PBHBQBBOWUQYRU-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105212 952391556 /nfs/dbraw/zinc/39/15/56/952391556.db2.gz KBUMCJQGMCVAOI-HIFRSBDPSA-N 2 0 373.436 0.648 20 0 FCADRP COc1cc(C[NH+](CCO)C[C@@H](C)O)cc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000293331794 214164951 /nfs/dbraw/zinc/16/49/51/214164951.db2.gz MQEBNCUWYAVBLU-IYBDPMFKSA-N 2 0 370.490 0.045 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)cn2ccnc12 ZINC000294124864 214224456 /nfs/dbraw/zinc/22/44/56/214224456.db2.gz KYIVEQSYSBVDPN-AWEZNQCLSA-N 2 0 359.430 0.760 20 0 FCADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000410729800 529831874 /nfs/dbraw/zinc/83/18/74/529831874.db2.gz KHZIXHMQUIJQFK-KURKYZTESA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410841124 529861208 /nfs/dbraw/zinc/86/12/08/529861208.db2.gz GSAAZPDQAQTQHN-FXAWDEMLSA-N 2 0 362.518 0.731 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410437019 529907701 /nfs/dbraw/zinc/90/77/01/529907701.db2.gz SEJYKFNUPDTSIW-QGZVFWFLSA-N 2 0 366.506 0.111 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)C2)CC1 ZINC000410930029 530050997 /nfs/dbraw/zinc/05/09/97/530050997.db2.gz PCIFMARFQJLUOU-ZWKOTPCHSA-N 2 0 360.502 0.649 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000331697266 215036928 /nfs/dbraw/zinc/03/69/28/215036928.db2.gz WXFZZZLGLCRJFS-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000331783542 215046086 /nfs/dbraw/zinc/04/60/86/215046086.db2.gz MBZRMFZEQMLNIM-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000331796489 215047396 /nfs/dbraw/zinc/04/73/96/215047396.db2.gz LILHLCJLEOAHEG-ZACQAIPSSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000331863410 215058636 /nfs/dbraw/zinc/05/86/36/215058636.db2.gz KSKJBVBXXDXDTI-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000331945266 215070676 /nfs/dbraw/zinc/07/06/76/215070676.db2.gz HBHBBBKVRLLBQD-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331945278 215070843 /nfs/dbraw/zinc/07/08/43/215070843.db2.gz HBZFBAWUOVAGDS-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000332034278 215081201 /nfs/dbraw/zinc/08/12/01/215081201.db2.gz ZZFQGWRZAYFLIH-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC[C@H]21 ZINC000332059758 215084032 /nfs/dbraw/zinc/08/40/32/215084032.db2.gz XGBSKAMWKMQWRX-BRWVUGGUSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)[NH2+]1 ZINC000332082061 215089407 /nfs/dbraw/zinc/08/94/07/215089407.db2.gz NPMZFKDTRPIWEH-SRABZTEZSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000332128375 215098492 /nfs/dbraw/zinc/09/84/92/215098492.db2.gz HNFHLJHXWPEKOF-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000332155539 215102444 /nfs/dbraw/zinc/10/24/44/215102444.db2.gz ODTMZFLCVAAVFS-QBPKDAKJSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000332155541 215102466 /nfs/dbraw/zinc/10/24/66/215102466.db2.gz ODTMZFLCVAAVFS-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332268033 215119934 /nfs/dbraw/zinc/11/99/34/215119934.db2.gz GAMVFWLADYKAHE-HLLBOEOZSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332646849 215198219 /nfs/dbraw/zinc/19/82/19/215198219.db2.gz XGDOTRBQVDAJMV-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332646854 215198320 /nfs/dbraw/zinc/19/83/20/215198320.db2.gz XGDOTRBQVDAJMV-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000333125632 215239083 /nfs/dbraw/zinc/23/90/83/215239083.db2.gz CVNWGEFSPXPLRG-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000333139688 215240605 /nfs/dbraw/zinc/24/06/05/215240605.db2.gz YLYGNOGMJCXYDP-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000333189259 215247910 /nfs/dbraw/zinc/24/79/10/215247910.db2.gz VEXWFRPAQSSVRH-OAHLLOKOSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333508802 215290779 /nfs/dbraw/zinc/29/07/79/215290779.db2.gz ITOUYVKWONUCRD-UXLLHSPISA-N 2 0 354.495 0.506 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000333530394 215293549 /nfs/dbraw/zinc/29/35/49/215293549.db2.gz MCUPKPXXESSNGR-KRWDZBQOSA-N 2 0 353.511 0.175 20 0 FCADRP COC(=O)[C@H]1CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286019509 213434109 /nfs/dbraw/zinc/43/41/09/213434109.db2.gz PCYDSTAEDBQQRL-IRXDYDNUSA-N 2 0 360.458 0.909 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C[C@H]2[NH3+])cn1 ZINC000333591624 215299547 /nfs/dbraw/zinc/29/95/47/215299547.db2.gz PDDBOMHHDRLAQS-LZWOXQAQSA-N 2 0 352.508 0.294 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627431 215303703 /nfs/dbraw/zinc/30/37/03/215303703.db2.gz FZUDFYAIPYCPRO-KSZLIROESA-N 2 0 367.538 0.563 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333882538 215327446 /nfs/dbraw/zinc/32/74/46/215327446.db2.gz WMPXLXOZVPZMDW-NUJGCVRESA-N 2 0 365.522 0.757 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000333928516 215332358 /nfs/dbraw/zinc/33/23/58/215332358.db2.gz XKVPDJSMXIIUFT-XDNAFOTISA-N 2 0 351.539 0.946 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545933 213356530 /nfs/dbraw/zinc/35/65/30/213356530.db2.gz IFEONXSMHZRTJB-YOEHRIQHSA-N 2 0 371.485 0.897 20 0 FCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCOCC1 ZINC000285414739 213338556 /nfs/dbraw/zinc/33/85/56/213338556.db2.gz JHCSQHOJPPAELZ-UHFFFAOYSA-N 2 0 360.502 0.595 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC1=O ZINC000364192837 215646078 /nfs/dbraw/zinc/64/60/78/215646078.db2.gz MEDYKQFZJHDMQT-DJIMGWMZSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000283627698 212982922 /nfs/dbraw/zinc/98/29/22/212982922.db2.gz RIGIOSKSECWBMG-UHFFFAOYSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764495 216027287 /nfs/dbraw/zinc/02/72/87/216027287.db2.gz WAZXMCNXHDCORE-OALUTQOASA-N 2 0 361.486 0.631 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791777 216032512 /nfs/dbraw/zinc/03/25/12/216032512.db2.gz DAGNRBXKCLVTEF-DLBZAZTESA-N 2 0 366.506 0.251 20 0 FCADRP COc1cnc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000367458012 216126269 /nfs/dbraw/zinc/12/62/69/216126269.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 2 0 358.490 0.481 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000367649657 216145624 /nfs/dbraw/zinc/14/56/24/216145624.db2.gz VWWWXASRMAZYEC-OAHLLOKOSA-N 2 0 359.536 0.924 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654268 216147483 /nfs/dbraw/zinc/14/74/83/216147483.db2.gz URNGGSFULFSSLP-HUUCEWRRSA-N 2 0 359.536 0.637 20 0 FCADRP NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000367989553 216189182 /nfs/dbraw/zinc/18/91/82/216189182.db2.gz QVSMRZCJBOVRSZ-MRXNPFEDSA-N 2 0 360.458 0.655 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)CC1=O ZINC000246595645 209393420 /nfs/dbraw/zinc/39/34/20/209393420.db2.gz FYTGTZPSCUDIES-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000237328484 209350498 /nfs/dbraw/zinc/35/04/98/209350498.db2.gz CCGCFLSORJMJPD-CABCVRRESA-N 2 0 351.520 0.789 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000237227742 209349263 /nfs/dbraw/zinc/34/92/63/209349263.db2.gz STHZZZMKLDFZFJ-HNNXBMFYSA-N 2 0 352.460 0.313 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000237227980 209348967 /nfs/dbraw/zinc/34/89/67/209348967.db2.gz SVVVVQBCODYIAG-KGLIPLIRSA-N 2 0 366.487 0.689 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236798199 209344807 /nfs/dbraw/zinc/34/48/07/209344807.db2.gz LRCJOAXJZLUYBD-OAHLLOKOSA-N 2 0 350.467 0.289 20 0 FCADRP [NH3+]CCc1nc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cs1 ZINC000194834141 209330518 /nfs/dbraw/zinc/33/05/18/209330518.db2.gz JTCVMWDKJVFZOT-UHFFFAOYSA-N 2 0 351.476 0.025 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3CN3CCOCC3)C[C@H]2C1 ZINC000194919290 209330141 /nfs/dbraw/zinc/33/01/41/209330141.db2.gz NQMQTIUFGJWECG-CALCHBBNSA-N 2 0 372.469 0.477 20 0 FCADRP CN(C(=O)NCCCN1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368360066 216237400 /nfs/dbraw/zinc/23/74/00/216237400.db2.gz GNHYCUPYCQMQCC-SFHVURJKSA-N 3 0 367.538 0.519 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000369025480 216333094 /nfs/dbraw/zinc/33/30/94/216333094.db2.gz DUHVLJXTNAENJD-ZACQAIPSSA-N 2 0 354.495 0.506 20 0 FCADRP C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CO ZINC000190812814 209277699 /nfs/dbraw/zinc/27/76/99/209277699.db2.gz LUJNUXMAHRYKLW-DLBZAZTESA-N 2 0 363.502 0.962 20 0 FCADRP CN1CCN(S(=O)(=O)N2CCN(C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000190377376 209271108 /nfs/dbraw/zinc/27/11/08/209271108.db2.gz UGLHNBWOOMTPTE-KRWDZBQOSA-N 2 0 374.551 0.037 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372270 216391184 /nfs/dbraw/zinc/39/11/84/216391184.db2.gz HJMVANZAUQDKCY-MRXNPFEDSA-N 2 0 355.527 0.375 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369864963 216461138 /nfs/dbraw/zinc/46/11/38/216461138.db2.gz ZWWPDGSBPNQXMZ-YESZJQIVSA-N 2 0 354.495 0.602 20 0 FCADRP O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277757787 212395356 /nfs/dbraw/zinc/39/53/56/212395356.db2.gz JTPXBOOFCUYICB-SJORKVTESA-N 2 0 373.457 0.381 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)cn2)CC1 ZINC000188795717 209238466 /nfs/dbraw/zinc/23/84/66/209238466.db2.gz YLJYVACLTMBHGM-UHFFFAOYSA-N 2 0 355.446 0.132 20 0 FCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ncnn1C ZINC000276584492 212260571 /nfs/dbraw/zinc/26/05/71/212260571.db2.gz PFEKOPNYGZKHBP-OAHLLOKOSA-N 2 0 372.477 0.783 20 0 FCADRP CN(c1ccccc1C[NH2+]C[C@H]1CC(C(N)=O)=NO1)C1CC[NH+](C)CC1 ZINC000276484812 212240743 /nfs/dbraw/zinc/24/07/43/212240743.db2.gz OWLSNBUHQZNXTJ-MRXNPFEDSA-N 2 0 359.474 0.937 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931435154 674114888 /nfs/dbraw/zinc/11/48/88/674114888.db2.gz HSRZTDVLZFAROW-HRCADAONSA-N 2 0 352.479 0.559 20 0 FCADRP COc1ccc(COC[C@@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931487174 674117214 /nfs/dbraw/zinc/11/72/14/674117214.db2.gz UTRWZUHNOVRVNZ-KRWDZBQOSA-N 2 0 352.475 0.961 20 0 FCADRP CCOc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414695299 245312399 /nfs/dbraw/zinc/31/23/99/245312399.db2.gz FGWIGQQHAHRALZ-INIZCTEOSA-N 2 0 361.490 0.800 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000414675229 245312485 /nfs/dbraw/zinc/31/24/85/245312485.db2.gz LSZKWGHLTMIDAT-SFHVURJKSA-N 2 0 358.486 0.571 20 0 FCADRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742666 245318306 /nfs/dbraw/zinc/31/83/06/245318306.db2.gz NSVXPKYKYNSGKZ-SJORKVTESA-N 2 0 360.506 0.823 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000414765381 245321757 /nfs/dbraw/zinc/32/17/57/245321757.db2.gz BXURIDCFAZMNST-KRWDZBQOSA-N 2 0 362.474 0.914 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000414858851 245325016 /nfs/dbraw/zinc/32/50/16/245325016.db2.gz SPZXFFRDOSPQQU-QGZVFWFLSA-N 2 0 362.474 0.554 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000414901080 245329578 /nfs/dbraw/zinc/32/95/78/245329578.db2.gz IANJDBHYWZCOQM-HOCLYGCPSA-N 2 0 359.474 0.779 20 0 FCADRP [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2C1 ZINC000415119084 245349916 /nfs/dbraw/zinc/34/99/16/245349916.db2.gz YQINYUKORPQDNL-DOTOQJQBSA-N 2 0 371.485 0.923 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@@H+]1C1CC1 ZINC000414946381 245338773 /nfs/dbraw/zinc/33/87/73/245338773.db2.gz TXEYGIQUYKHGDN-SWLSCSKDSA-N 2 0 358.442 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@@H+](C2CC2)C1 ZINC000415258760 245370968 /nfs/dbraw/zinc/37/09/68/245370968.db2.gz SLAACEYUQZHOIN-AWEZNQCLSA-N 2 0 360.458 0.905 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000415258474 245371224 /nfs/dbraw/zinc/37/12/24/245371224.db2.gz SCGZDPASEVQBAL-QGZVFWFLSA-N 2 0 362.474 0.698 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[NH3+])CC1 ZINC000415266183 245372324 /nfs/dbraw/zinc/37/23/24/245372324.db2.gz GYBWFBVPKNDWOH-UHFFFAOYSA-N 2 0 353.854 0.495 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415327743 245386567 /nfs/dbraw/zinc/38/65/67/245386567.db2.gz LOBQABOCWNKEIR-UHFFFAOYSA-N 2 0 373.501 0.285 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442696 217019675 /nfs/dbraw/zinc/01/96/75/217019675.db2.gz VZLWIJIIRXTAKF-IDHHARJASA-N 2 0 352.523 0.804 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415327777 245388222 /nfs/dbraw/zinc/38/82/22/245388222.db2.gz LRXKYKNGNPHSQU-UHFFFAOYSA-N 2 0 373.501 0.285 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c(C)c2)CC1 ZINC000415334219 245390573 /nfs/dbraw/zinc/39/05/73/245390573.db2.gz KADHNGITHOENGT-INIZCTEOSA-N 2 0 373.501 0.896 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000374251895 217113667 /nfs/dbraw/zinc/11/36/67/217113667.db2.gz ZZCXGMAXZIQMKR-SJORKVTESA-N 2 0 367.538 0.253 20 0 FCADRP COC(=O)[C@]1(C)C[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000374368627 217123593 /nfs/dbraw/zinc/12/35/93/217123593.db2.gz ZPMOICKWWVBVEN-GPMSIDNRSA-N 2 0 369.506 0.590 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1=O ZINC000374398669 217125261 /nfs/dbraw/zinc/12/52/61/217125261.db2.gz KNMVFWMISZBUJO-QBPKDAKJSA-N 2 0 366.506 0.107 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415901198 245523465 /nfs/dbraw/zinc/52/34/65/245523465.db2.gz WZHDVESFVWMAEN-CVEARBPZSA-N 2 0 374.485 0.942 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000182782131 209136691 /nfs/dbraw/zinc/13/66/91/209136691.db2.gz VQDVCZQZLHUPOS-MRXNPFEDSA-N 2 0 353.488 0.645 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCCC1 ZINC000416813916 245645511 /nfs/dbraw/zinc/64/55/11/245645511.db2.gz GIMLXCLQEDZCIZ-WBVHZDCISA-N 2 0 365.522 0.807 20 0 FCADRP CN(CC(=O)N1CCN(c2cnccn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375749312 217308216 /nfs/dbraw/zinc/30/82/16/217308216.db2.gz DLQZYXUZMZIBTG-SJPCQFCGSA-N 2 0 358.490 0.682 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417858169 245731673 /nfs/dbraw/zinc/73/16/73/245731673.db2.gz UUVSFUPGXWSOPC-CUSZFKRNSA-N 2 0 365.522 0.805 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000418055687 245749978 /nfs/dbraw/zinc/74/99/78/245749978.db2.gz IZWKVXHOEDGODO-IBGZPJMESA-N 2 0 359.518 0.980 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000418370594 245781495 /nfs/dbraw/zinc/78/14/95/245781495.db2.gz OUADGHDOXAFSAR-MRXNPFEDSA-N 2 0 367.538 0.864 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418624631 245806898 /nfs/dbraw/zinc/80/68/98/245806898.db2.gz ZGPZPLNGMRKXNU-MJBXVCDLSA-N 2 0 363.428 0.510 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418622130 245807362 /nfs/dbraw/zinc/80/73/62/245807362.db2.gz UZLNKEMKZOZVFK-UPJWGTAASA-N 2 0 351.417 0.639 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376313954 217382427 /nfs/dbraw/zinc/38/24/27/217382427.db2.gz LMHNDDCODCAIIT-HNSVSWJLSA-N 2 0 353.511 0.709 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418605197 245802129 /nfs/dbraw/zinc/80/21/29/245802129.db2.gz AHLHALXVBKLXRV-AWEZNQCLSA-N 2 0 365.444 0.806 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807858 245834234 /nfs/dbraw/zinc/83/42/34/245834234.db2.gz QIFDLEMRMRMOIQ-UONOGXRCSA-N 2 0 354.495 0.454 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418940808 245919420 /nfs/dbraw/zinc/91/94/20/245919420.db2.gz UKYLHGVJVXPRRU-SJORKVTESA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419126195 246001222 /nfs/dbraw/zinc/00/12/22/246001222.db2.gz VSFSVKNJUFOJKR-QLFBSQMISA-N 2 0 354.495 0.596 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419128330 246002608 /nfs/dbraw/zinc/00/26/08/246002608.db2.gz AFSZGFHYNUYCBJ-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000419128437 246003533 /nfs/dbraw/zinc/00/35/33/246003533.db2.gz WFVBLCUXVJXBLS-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419130072 246004132 /nfs/dbraw/zinc/00/41/32/246004132.db2.gz BZUWQMWMRKUBBB-IRXDYDNUSA-N 2 0 361.490 0.667 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419130453 246004580 /nfs/dbraw/zinc/00/45/80/246004580.db2.gz BDNHJHXAOQCTSS-AWEZNQCLSA-N 2 0 352.504 0.802 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161600 246026019 /nfs/dbraw/zinc/02/60/19/246026019.db2.gz DNICLTMXBJDUDG-MSOLQXFVSA-N 2 0 374.485 0.343 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419153759 246019771 /nfs/dbraw/zinc/01/97/71/246019771.db2.gz QGCNDZUGUSMCRD-ZBFHGGJFSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419153756 246020076 /nfs/dbraw/zinc/02/00/76/246020076.db2.gz QGCNDZUGUSMCRD-GDBMZVCRSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000419153870 246020822 /nfs/dbraw/zinc/02/08/22/246020822.db2.gz PGJLGFSAGIFTDI-HNNXBMFYSA-N 2 0 355.442 0.562 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158812 246023221 /nfs/dbraw/zinc/02/32/21/246023221.db2.gz YIZOERTWGDQOKX-UONOGXRCSA-N 2 0 352.504 0.930 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158027 246025270 /nfs/dbraw/zinc/02/52/70/246025270.db2.gz XEKWCAYUWWMDMY-KBPBESRZSA-N 2 0 352.504 0.882 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419146836 246015600 /nfs/dbraw/zinc/01/56/00/246015600.db2.gz IQWJVHYNMRMQSS-UONOGXRCSA-N 2 0 350.488 0.554 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419150189 246018021 /nfs/dbraw/zinc/01/80/21/246018021.db2.gz KWJMXCVWINSCJA-IKGGRYGDSA-N 2 0 350.507 0.539 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168347 246030133 /nfs/dbraw/zinc/03/01/33/246030133.db2.gz RRFGVVZZACPOQZ-QGZVFWFLSA-N 2 0 362.474 0.119 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419171572 246032745 /nfs/dbraw/zinc/03/27/45/246032745.db2.gz PGDUSAGDPUQNFG-MSOLQXFVSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419196450 246046581 /nfs/dbraw/zinc/04/65/81/246046581.db2.gz BAUMBNBGODEFPL-GOEBONIOSA-N 2 0 362.474 0.439 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419183564 246039658 /nfs/dbraw/zinc/03/96/58/246039658.db2.gz DPLBRBYTQSBJEY-UHFFFAOYSA-N 2 0 360.502 0.926 20 0 FCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000419191363 246044697 /nfs/dbraw/zinc/04/46/97/246044697.db2.gz OAJDJUJNVRJHNI-UHFFFAOYSA-N 2 0 358.486 0.870 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419192084 246044799 /nfs/dbraw/zinc/04/47/99/246044799.db2.gz OTSDQWFQYNLNOS-SFHVURJKSA-N 2 0 358.486 0.929 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419212224 246056598 /nfs/dbraw/zinc/05/65/98/246056598.db2.gz UKKVFGZNOLBSAN-WIYYLYMNSA-N 2 0 370.497 0.979 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419211248 246057481 /nfs/dbraw/zinc/05/74/81/246057481.db2.gz SGOZOQCKWWMOCF-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419215374 246059923 /nfs/dbraw/zinc/05/99/23/246059923.db2.gz YUASMRWFYNKRHV-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419216028 246060471 /nfs/dbraw/zinc/06/04/71/246060471.db2.gz OVSQCOCMFAVFSC-RLFYNMQTSA-N 2 0 374.485 0.472 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419227200 246065050 /nfs/dbraw/zinc/06/50/50/246065050.db2.gz JYAJEOPLKWAQQZ-IAGOWNOFSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419229039 246066551 /nfs/dbraw/zinc/06/65/51/246066551.db2.gz NKGITDKDSVNDPQ-BQFCYCMXSA-N 2 0 360.502 0.985 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419197107 246046885 /nfs/dbraw/zinc/04/68/85/246046885.db2.gz XNEKJKJHTBRAEY-IYBDPMFKSA-N 2 0 374.460 0.584 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419196087 246046967 /nfs/dbraw/zinc/04/69/67/246046967.db2.gz WBMKGXAFTCSCDN-MRXNPFEDSA-N 2 0 358.486 0.630 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419197176 246047154 /nfs/dbraw/zinc/04/71/54/246047154.db2.gz XTKJUZHMSBMZPO-CRAIPNDOSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419199605 246048638 /nfs/dbraw/zinc/04/86/38/246048638.db2.gz DTWRNWHQVMGWFS-GOEBONIOSA-N 2 0 362.474 0.439 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419198595 246048849 /nfs/dbraw/zinc/04/88/49/246048849.db2.gz CTDKDLVCSWEMHT-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419199671 246048882 /nfs/dbraw/zinc/04/88/82/246048882.db2.gz DMRRCSLPODIYGK-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419229099 246067073 /nfs/dbraw/zinc/06/70/73/246067073.db2.gz NNWHFQZIXBZGQO-NXHRZFHOSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000419235890 246071608 /nfs/dbraw/zinc/07/16/08/246071608.db2.gz ZPSYRZDDMUCYCI-CYGHRXIMSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234959 246071942 /nfs/dbraw/zinc/07/19/42/246071942.db2.gz YEXFZEFTHKXXMI-XYJFISCASA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC1 ZINC000419241855 246073238 /nfs/dbraw/zinc/07/32/38/246073238.db2.gz QQBYGBPLLZKHNB-JKSUJKDBSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419253399 246076907 /nfs/dbraw/zinc/07/69/07/246076907.db2.gz UHBXSOMYGFTLMS-ZOBUZTSGSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[NH2+]1 ZINC000419326444 246100233 /nfs/dbraw/zinc/10/02/33/246100233.db2.gz CITFZMHMDBVJCE-GASCZTMLSA-N 2 0 359.474 0.371 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340332 246102639 /nfs/dbraw/zinc/10/26/39/246102639.db2.gz WMIZQHQLWDZTDH-QRVDHSFSSA-N 2 0 374.460 0.678 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C[NH3+] ZINC000419347724 246108630 /nfs/dbraw/zinc/10/86/30/246108630.db2.gz XHGQZWVVFKJAMZ-YJBOKZPZSA-N 2 0 373.501 0.748 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C)C[NH2+]1 ZINC000419363036 246118397 /nfs/dbraw/zinc/11/83/97/246118397.db2.gz CSENSDMUROZVRJ-GJZGRUSLSA-N 2 0 358.486 0.411 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373348 246123003 /nfs/dbraw/zinc/12/30/03/246123003.db2.gz MQJVOBJGWVJRIO-YOEHRIQHSA-N 2 0 358.486 0.445 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419388387 246129401 /nfs/dbraw/zinc/12/94/01/246129401.db2.gz DMWZQICOOHHOMT-WZGPROSRSA-N 2 0 370.497 0.691 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419390607 246129998 /nfs/dbraw/zinc/12/99/98/246129998.db2.gz GNECVHSUMMEYCJ-HNNXBMFYSA-N 2 0 350.488 0.137 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)N1CCCCC1 ZINC000419358842 246115519 /nfs/dbraw/zinc/11/55/19/246115519.db2.gz QWDFLTVDSNYXHJ-QGZVFWFLSA-N 2 0 374.485 0.674 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419414188 246147872 /nfs/dbraw/zinc/14/78/72/246147872.db2.gz SZBRCCILANBRRV-BZUAXINKSA-N 2 0 354.495 0.047 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCO1 ZINC000419417024 246150416 /nfs/dbraw/zinc/15/04/16/246150416.db2.gz HPROIHAXEHDVIT-ZWKOTPCHSA-N 2 0 374.485 0.516 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419398135 246134187 /nfs/dbraw/zinc/13/41/87/246134187.db2.gz WLDKVUBBPLCGGT-OAHLLOKOSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC(F)(F)CN)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399421 246134608 /nfs/dbraw/zinc/13/46/08/246134608.db2.gz JUJXCOCOFBIANF-ZFWWWQNUSA-N 2 0 368.428 0.723 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000419404284 246136193 /nfs/dbraw/zinc/13/61/93/246136193.db2.gz FRZLLEBPXRJNTO-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403878 246137975 /nfs/dbraw/zinc/13/79/75/246137975.db2.gz SAOVTMXHIKTXKA-SZMVWBNQSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419406878 246138984 /nfs/dbraw/zinc/13/89/84/246138984.db2.gz JOBGPACMHLHCDP-IYBDPMFKSA-N 2 0 350.507 0.897 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419404340 246139434 /nfs/dbraw/zinc/13/94/34/246139434.db2.gz FXLZXXKXTFZFEC-MDMSPXHWSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419410600 246143880 /nfs/dbraw/zinc/14/38/80/246143880.db2.gz ASNDXCSAZRWGIP-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419424047 246157350 /nfs/dbraw/zinc/15/73/50/246157350.db2.gz NUNUEYNKXAZCLF-HOTGVXAUSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419428468 246158697 /nfs/dbraw/zinc/15/86/97/246158697.db2.gz STYRJFRKHAQPKA-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419418562 246151744 /nfs/dbraw/zinc/15/17/44/246151744.db2.gz IHNLIBIEPQAVRR-APWZRJJASA-N 2 0 372.513 0.994 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419504502 246183783 /nfs/dbraw/zinc/18/37/83/246183783.db2.gz GSYLDPSFLYTAJQ-GBESFXJTSA-N 2 0 370.497 0.693 20 0 FCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470508 246173002 /nfs/dbraw/zinc/17/30/02/246173002.db2.gz FLRXDFROEZVNAS-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419475105 246176685 /nfs/dbraw/zinc/17/66/85/246176685.db2.gz DEOHBHYZKMVLFK-BBWFWOEESA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419475124 246176941 /nfs/dbraw/zinc/17/69/41/246176941.db2.gz DIMKSXYOXZJGPU-IYBDPMFKSA-N 2 0 350.507 0.897 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000419473697 246177055 /nfs/dbraw/zinc/17/70/55/246177055.db2.gz BAXOIKSVPJEPDJ-IBGZPJMESA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCSC1 ZINC000419592904 246210997 /nfs/dbraw/zinc/21/09/97/246210997.db2.gz XLBPSKXZORIYGJ-GOSISDBHSA-N 2 0 370.563 0.969 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000419586452 246211976 /nfs/dbraw/zinc/21/19/76/246211976.db2.gz MYRIHQMYWUNWEO-ISTRZQFTSA-N 2 0 362.449 0.678 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419536237 246195798 /nfs/dbraw/zinc/19/57/98/246195798.db2.gz UIXQWYZSURTOFZ-NJAFHUGGSA-N 2 0 358.486 0.691 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H](C[NH3+])C1 ZINC000419659792 246232943 /nfs/dbraw/zinc/23/29/43/246232943.db2.gz AWQTUOJEAIGLNB-HZPDHXFCSA-N 2 0 356.511 0.576 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000419722171 246269549 /nfs/dbraw/zinc/26/95/49/246269549.db2.gz LLOFWFRJXMSIRV-QGZVFWFLSA-N 2 0 374.485 0.391 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419665139 246236857 /nfs/dbraw/zinc/23/68/57/246236857.db2.gz SVYCWZLLDVUMMC-BPQIPLTHSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419665152 246237215 /nfs/dbraw/zinc/23/72/15/246237215.db2.gz SXPWAVCIYHKDOC-JFIYKMOQSA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419690622 246252049 /nfs/dbraw/zinc/25/20/49/246252049.db2.gz LCGPHGJOUILUII-CQSZACIVSA-N 2 0 354.520 0.414 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419693578 246254597 /nfs/dbraw/zinc/25/45/97/246254597.db2.gz NRQFWGJGDRWIBO-LSDHHAIUSA-N 2 0 368.547 0.660 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419701914 246258361 /nfs/dbraw/zinc/25/83/61/246258361.db2.gz BLDPJDWPTXOPBM-ONIAQPFYSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702968 246258590 /nfs/dbraw/zinc/25/85/90/246258590.db2.gz CVAGTEUAGLQVTG-DZJNRPSUSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702970 246258821 /nfs/dbraw/zinc/25/88/21/246258821.db2.gz CVAGTEUAGLQVTG-NRSFXHEJSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419703464 246258965 /nfs/dbraw/zinc/25/89/65/246258965.db2.gz DHEPOEIPNFXXCA-FZCLSBEQSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702301 246259571 /nfs/dbraw/zinc/25/95/71/246259571.db2.gz AVGCBLGZMVMOAW-SOUVJXGZSA-N 2 0 354.495 0.596 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000419705284 246261467 /nfs/dbraw/zinc/26/14/67/246261467.db2.gz AJDUYCCMWYNIRJ-CRAIPNDOSA-N 2 0 360.502 0.850 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000419706315 246261890 /nfs/dbraw/zinc/26/18/90/246261890.db2.gz CTYFCWFUIDZGPY-YJBOKZPZSA-N 2 0 360.502 0.993 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419715905 246268122 /nfs/dbraw/zinc/26/81/22/246268122.db2.gz ZZDKUUFOXIHFCX-YFHUEUNASA-N 2 0 358.486 0.974 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CCCC2)CC1 ZINC000419750886 246281516 /nfs/dbraw/zinc/28/15/16/246281516.db2.gz JLNVPCRYVMAUDW-INIZCTEOSA-N 2 0 368.522 0.626 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CCCC2)CC1 ZINC000419754604 246284013 /nfs/dbraw/zinc/28/40/13/246284013.db2.gz PCZDZHUOAKHOET-HNNXBMFYSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000419758258 246285344 /nfs/dbraw/zinc/28/53/44/246285344.db2.gz JTDAMSFEGNFSMM-BBRMVZONSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000419757851 246285838 /nfs/dbraw/zinc/28/58/38/246285838.db2.gz JAZZRQBCOFQREY-ZIAGYGMSSA-N 2 0 350.438 0.583 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419769854 246290809 /nfs/dbraw/zinc/29/08/09/246290809.db2.gz WGOPUQOLCBRWGH-ZWKOTPCHSA-N 2 0 374.485 0.199 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000419767389 246290893 /nfs/dbraw/zinc/29/08/93/246290893.db2.gz ZWXLNBSNBZVDME-OAHLLOKOSA-N 2 0 364.465 0.961 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419813078 246303601 /nfs/dbraw/zinc/30/36/01/246303601.db2.gz JPGQUCFKLWNRMB-WMZOPIPTSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419808019 246303809 /nfs/dbraw/zinc/30/38/09/246303809.db2.gz GKBAHNHXJARKAH-OLMNPRSZSA-N 2 0 374.485 0.754 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419727499 246272098 /nfs/dbraw/zinc/27/20/98/246272098.db2.gz LNQQVUFHRATBHL-YJBOKZPZSA-N 2 0 374.485 0.514 20 0 FCADRP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)nc(C(C)C)n1 ZINC000419871461 246339003 /nfs/dbraw/zinc/33/90/03/246339003.db2.gz SZLFLHNEDQOBIS-HNNXBMFYSA-N 2 0 374.489 0.411 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419844915 246319018 /nfs/dbraw/zinc/31/90/18/246319018.db2.gz MQNGSYXBQRIGPZ-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000419851810 246321637 /nfs/dbraw/zinc/32/16/37/246321637.db2.gz JRGBNVDLVHNJDB-UHFFFAOYSA-N 2 0 367.538 0.169 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419854410 246324484 /nfs/dbraw/zinc/32/44/84/246324484.db2.gz GIAPXGFHIPTGSI-TWMKSMIVSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419856456 246326852 /nfs/dbraw/zinc/32/68/52/246326852.db2.gz FCCUNLJCYUFSCQ-MRXNPFEDSA-N 2 0 368.428 0.709 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419858088 246328241 /nfs/dbraw/zinc/32/82/41/246328241.db2.gz HLSAGTMJHAEPRH-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000419865548 246335150 /nfs/dbraw/zinc/33/51/50/246335150.db2.gz PKWHMPVERFCWBT-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419870268 246338283 /nfs/dbraw/zinc/33/82/83/246338283.db2.gz WVWPZYLEWJYASG-CQSZACIVSA-N 2 0 352.504 0.754 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419907988 246364407 /nfs/dbraw/zinc/36/44/07/246364407.db2.gz HDKQNWWDEMOKIU-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419913366 246365525 /nfs/dbraw/zinc/36/55/25/246365525.db2.gz NSACCQXUJANFQG-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419926930 246372230 /nfs/dbraw/zinc/37/22/30/246372230.db2.gz QMFWIULMADGMNC-UHFFFAOYSA-N 2 0 354.401 0.191 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419930557 246374417 /nfs/dbraw/zinc/37/44/17/246374417.db2.gz YNAWNQJOGCUJNQ-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419876409 246342962 /nfs/dbraw/zinc/34/29/62/246342962.db2.gz PPSDZGFLDNSAKN-IAGOWNOFSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419947910 246384229 /nfs/dbraw/zinc/38/42/29/246384229.db2.gz YCDDIELAFGFARX-OAHLLOKOSA-N 2 0 361.490 0.858 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419973513 246397434 /nfs/dbraw/zinc/39/74/34/246397434.db2.gz JCMPPWOBIHITBO-BBWFWOEESA-N 2 0 367.538 0.103 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419973776 246397558 /nfs/dbraw/zinc/39/75/58/246397558.db2.gz ILGVNPQYFMGJLG-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000419991525 246404743 /nfs/dbraw/zinc/40/47/43/246404743.db2.gz DLJLIAUQIDLFEM-RDJZCZTQSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000420021871 246421770 /nfs/dbraw/zinc/42/17/70/246421770.db2.gz UPGSAIRCYBMDID-OXJNMPFZSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420020417 246417491 /nfs/dbraw/zinc/41/74/91/246417491.db2.gz SETDEQNIGSOVMX-BRWVUGGUSA-N 2 0 366.506 0.191 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000422817379 246923926 /nfs/dbraw/zinc/92/39/26/246923926.db2.gz HKYYMNHWTGDGPH-MRXNPFEDSA-N 3 0 354.539 0.923 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423169462 246970860 /nfs/dbraw/zinc/97/08/60/246970860.db2.gz VWYMUPUHPLKPQA-LJQANCHMSA-N 2 0 364.465 0.913 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423233198 246983472 /nfs/dbraw/zinc/98/34/72/246983472.db2.gz JMJYPPOYRJAPOK-JLJPHGGASA-N 2 0 362.449 0.631 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423309169 247000468 /nfs/dbraw/zinc/00/04/68/247000468.db2.gz PLLKMIJYIAIECP-BPQIPLTHSA-N 2 0 358.486 0.773 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423569414 247057211 /nfs/dbraw/zinc/05/72/11/247057211.db2.gz FUMFVVBWDBATMI-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000423605053 247071882 /nfs/dbraw/zinc/07/18/82/247071882.db2.gz VNHOYJBYIJVXKO-ULQDDVLXSA-N 2 0 366.506 0.001 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423632122 247086101 /nfs/dbraw/zinc/08/61/01/247086101.db2.gz NSIZMXRYFPJFFL-GBESFXJTSA-N 2 0 370.497 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)[C@H](C)C[NH2+]1 ZINC000423647263 247090662 /nfs/dbraw/zinc/09/06/62/247090662.db2.gz HSILIHFRTYQFJN-LMSBXDPUSA-N 2 0 373.501 0.742 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)[C@@H](C)C[NH2+]1 ZINC000423647262 247090872 /nfs/dbraw/zinc/09/08/72/247090872.db2.gz HSILIHFRTYQFJN-LAQRGFTBSA-N 2 0 373.501 0.742 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423649085 247092824 /nfs/dbraw/zinc/09/28/24/247092824.db2.gz OUZRFHGIGREFQR-IRXDYDNUSA-N 2 0 366.506 0.158 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[NH2+]C1 ZINC000423665796 247101122 /nfs/dbraw/zinc/10/11/22/247101122.db2.gz RDGDLTTZSNCSFJ-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423674170 247104604 /nfs/dbraw/zinc/10/46/04/247104604.db2.gz ARRLPESPMWVKRC-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423746792 247138029 /nfs/dbraw/zinc/13/80/29/247138029.db2.gz PPERUYUTSZERGO-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423804118 247141797 /nfs/dbraw/zinc/14/17/97/247141797.db2.gz XNFUTUUOQYSVTB-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000423701567 247115534 /nfs/dbraw/zinc/11/55/34/247115534.db2.gz WXQGMYBPSVFJBH-BRWVUGGUSA-N 2 0 368.522 0.674 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423712553 247121230 /nfs/dbraw/zinc/12/12/30/247121230.db2.gz DADMMVPLRSHYHH-OAHLLOKOSA-N 2 0 354.495 0.143 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000423714983 247121332 /nfs/dbraw/zinc/12/13/32/247121332.db2.gz GWMDWIKCTRBTAJ-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423717632 247121620 /nfs/dbraw/zinc/12/16/20/247121620.db2.gz AJSDMRAWOVSHSI-OWCLPIDISA-N 2 0 359.536 0.861 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@H]1C[NH3+] ZINC000423716522 247123068 /nfs/dbraw/zinc/12/30/68/247123068.db2.gz AAUWWCHULNWFNF-PVAVHDDUSA-N 2 0 350.507 0.763 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423724840 247127238 /nfs/dbraw/zinc/12/72/38/247127238.db2.gz RWTGQSDMQMFQOK-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423726651 247128698 /nfs/dbraw/zinc/12/86/98/247128698.db2.gz UGQNANHFXMRNJP-SOUVJXGZSA-N 2 0 354.495 0.140 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423730591 247130609 /nfs/dbraw/zinc/13/06/09/247130609.db2.gz LKEQVLKCIVRUAP-NVXWUHKLSA-N 2 0 366.506 0.143 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423734416 247132080 /nfs/dbraw/zinc/13/20/80/247132080.db2.gz QXWNHLWDLWSCLA-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn[nH]c1[C@H]1CCC[NH2+]C1 ZINC000424058464 247163907 /nfs/dbraw/zinc/16/39/07/247163907.db2.gz LCCGYPVBMJIRHY-ZDUSSCGKSA-N 2 0 355.446 0.934 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000424125646 247169592 /nfs/dbraw/zinc/16/95/92/247169592.db2.gz ANPSKJBPMYMWFT-ZNMIVQPWSA-N 2 0 350.467 0.432 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000424486961 247236379 /nfs/dbraw/zinc/23/63/79/247236379.db2.gz AIWDUZWCDGMJNW-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424495175 247239974 /nfs/dbraw/zinc/23/99/74/247239974.db2.gz PPSUFHUMFGELAB-BPQIPLTHSA-N 2 0 356.470 0.540 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424522062 247250705 /nfs/dbraw/zinc/25/07/05/247250705.db2.gz MMWAZTHZVUYVNU-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424536818 247254243 /nfs/dbraw/zinc/25/42/43/247254243.db2.gz BOFWFYDJIZWSSA-RCCFBDPRSA-N 2 0 356.470 0.573 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000425446807 247342497 /nfs/dbraw/zinc/34/24/97/247342497.db2.gz QWJMANBINIXPLW-OAHLLOKOSA-N 2 0 369.510 0.078 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000433383831 247860870 /nfs/dbraw/zinc/86/08/70/247860870.db2.gz UMYRCTCJZWPWHJ-KFWWJZLASA-N 2 0 350.467 0.432 20 0 FCADRP CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625470 248002908 /nfs/dbraw/zinc/00/29/08/248002908.db2.gz LQGHAMBCCWWKBE-QZTJIDSGSA-N 2 0 354.539 0.923 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000436061482 248030531 /nfs/dbraw/zinc/03/05/31/248030531.db2.gz PTMZNVRDXSMDAW-INIZCTEOSA-N 2 0 357.462 0.524 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000440236657 248164337 /nfs/dbraw/zinc/16/43/37/248164337.db2.gz FRYLJPIKGOGDPJ-UHFFFAOYSA-N 2 0 355.527 0.911 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440974088 248228349 /nfs/dbraw/zinc/22/83/49/248228349.db2.gz BCXMAMZCBHWIEI-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCO1 ZINC000453708035 249357555 /nfs/dbraw/zinc/35/75/55/249357555.db2.gz BQKLVTAEWZXNSQ-SJLPKXTDSA-N 2 0 374.485 0.963 20 0 FCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453730324 249362456 /nfs/dbraw/zinc/36/24/56/249362456.db2.gz BIYLXQQDMAHCCI-QGZVFWFLSA-N 2 0 362.474 0.916 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471651746 250113956 /nfs/dbraw/zinc/11/39/56/250113956.db2.gz AHXMHYMUKJKXOT-HDICACEKSA-N 2 0 369.554 0.765 20 0 FCADRP CC(C)[NH+](C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000269868094 211103397 /nfs/dbraw/zinc/10/33/97/211103397.db2.gz XZFMKHBSUHJTKE-INIZCTEOSA-N 2 0 366.510 0.374 20 0 FCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594687 250163833 /nfs/dbraw/zinc/16/38/33/250163833.db2.gz CSSSSUFKTHDXTB-QAPCUYQASA-N 2 0 369.506 0.875 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084906 250269484 /nfs/dbraw/zinc/26/94/84/250269484.db2.gz ZWVUTQUVYYWQGN-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000473872047 250254758 /nfs/dbraw/zinc/25/47/58/250254758.db2.gz CHQUNLYHPYTTGP-KRWDZBQOSA-N 2 0 370.538 0.878 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930869 250297956 /nfs/dbraw/zinc/29/79/56/250297956.db2.gz IQRVRRKWEUAOKX-OWCLPIDISA-N 2 0 356.511 0.163 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480943513 250298677 /nfs/dbraw/zinc/29/86/77/250298677.db2.gz XSTPXJRPUNDFSO-YESZJQIVSA-N 2 0 370.538 0.506 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481858536 250368629 /nfs/dbraw/zinc/36/86/29/250368629.db2.gz VQWDNIDUNQYJMX-CVEARBPZSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000482532976 250392783 /nfs/dbraw/zinc/39/27/83/250392783.db2.gz LGZWTAIZJGIFLQ-GOEBONIOSA-N 2 0 357.462 0.900 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+](C)C1 ZINC000413503985 532991798 /nfs/dbraw/zinc/99/17/98/532991798.db2.gz SWMMLGICRMCGIG-OAHLLOKOSA-N 2 0 352.479 0.607 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413160521 532996931 /nfs/dbraw/zinc/99/69/31/532996931.db2.gz CYFLJEXNUVSKJB-BZUAXINKSA-N 2 0 354.495 0.853 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000069028395 208029908 /nfs/dbraw/zinc/02/99/08/208029908.db2.gz AYHVYMNLPBBBBJ-SFHVURJKSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000107369384 208243321 /nfs/dbraw/zinc/24/33/21/208243321.db2.gz XTKYLQASNSXHSL-INIZCTEOSA-N 2 0 356.470 0.994 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112507900 208295903 /nfs/dbraw/zinc/29/59/03/208295903.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 0 374.489 0.492 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168097878 208862495 /nfs/dbraw/zinc/86/24/95/208862495.db2.gz DFQNYYFEWNXYNU-MOPGFXCFSA-N 2 0 361.486 0.927 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000177381638 209023253 /nfs/dbraw/zinc/02/32/53/209023253.db2.gz YSBPCLASPJMZHG-UHFFFAOYSA-N 2 0 365.522 0.809 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC[N@H+](C)C1 ZINC000413375535 533479389 /nfs/dbraw/zinc/47/93/89/533479389.db2.gz MXULALXZPHHQEN-HOTGVXAUSA-N 2 0 354.495 0.711 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000188443767 229247762 /nfs/dbraw/zinc/24/77/62/229247762.db2.gz GIQWAUAWYXDHGH-MRXNPFEDSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000410206496 230067705 /nfs/dbraw/zinc/06/77/05/230067705.db2.gz LGWKAXVAEDPKIH-OAHLLOKOSA-N 2 0 362.540 0.336 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410433134 230078007 /nfs/dbraw/zinc/07/80/07/230078007.db2.gz KZKSSHSVCPVOTI-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410433137 230078485 /nfs/dbraw/zinc/07/84/85/230078485.db2.gz KZKSSHSVCPVOTI-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410503308 230108756 /nfs/dbraw/zinc/10/87/56/230108756.db2.gz MOJJAYYXTNUHKO-MRXNPFEDSA-N 2 0 356.511 0.356 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410732514 230224280 /nfs/dbraw/zinc/22/42/80/230224280.db2.gz LKOGJQSXEGPQFP-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410738300 230227434 /nfs/dbraw/zinc/22/74/34/230227434.db2.gz WEVNAXFWOGJQKK-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP O=S(=O)(CCCN1CCOCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000364047581 488917516 /nfs/dbraw/zinc/91/75/16/488917516.db2.gz JYMWFTXGPSXLLG-QGZVFWFLSA-N 2 0 359.536 0.989 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000327704581 488920629 /nfs/dbraw/zinc/92/06/29/488920629.db2.gz YHCNXCZYJYUWPT-OAHLLOKOSA-N 2 0 368.503 0.224 20 0 FCADRP Cc1nn(C)c(=O)c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000328921455 488951253 /nfs/dbraw/zinc/95/12/53/488951253.db2.gz BPRMWOSRORPPBJ-UHFFFAOYSA-N 2 0 361.490 0.686 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c2)CC1 ZINC000288160043 488951073 /nfs/dbraw/zinc/95/10/73/488951073.db2.gz MWEQKRJJBTXEMM-HNNXBMFYSA-N 2 0 361.490 0.833 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1=O ZINC000073880573 488386689 /nfs/dbraw/zinc/38/66/89/488386689.db2.gz HXZOOYVSOKCXOG-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182738478 488389056 /nfs/dbraw/zinc/38/90/56/488389056.db2.gz GAVHVFAGECJJLR-WBVHZDCISA-N 2 0 364.490 0.939 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182738457 488389360 /nfs/dbraw/zinc/38/93/60/488389360.db2.gz GAVHVFAGECJJLR-NVXWUHKLSA-N 2 0 364.490 0.939 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345458 488391049 /nfs/dbraw/zinc/39/10/49/488391049.db2.gz YTBNPLBNDVUFOW-IRXDYDNUSA-N 2 0 367.538 0.947 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000074657068 488393357 /nfs/dbraw/zinc/39/33/57/488393357.db2.gz DCSAWJWIMCASFU-QZTJIDSGSA-N 2 0 369.554 0.622 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000186608689 488407043 /nfs/dbraw/zinc/40/70/43/488407043.db2.gz AGJIDBNJBYJEJI-UHFFFAOYSA-N 2 0 369.535 0.967 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000077208646 488409496 /nfs/dbraw/zinc/40/94/96/488409496.db2.gz GETGWUIGXZPVPO-HOTGVXAUSA-N 2 0 351.495 0.454 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000189430399 488414656 /nfs/dbraw/zinc/41/46/56/488414656.db2.gz MQGJBHYMDITFBX-HNNXBMFYSA-N 2 0 357.524 0.682 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000077654781 488416232 /nfs/dbraw/zinc/41/62/32/488416232.db2.gz QAPMVBRJZZNIBB-UHFFFAOYSA-N 2 0 354.539 0.879 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000077771692 488417905 /nfs/dbraw/zinc/41/79/05/488417905.db2.gz OYVTVEYPNNZJHN-UHFFFAOYSA-N 2 0 364.490 0.883 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000077827034 488418643 /nfs/dbraw/zinc/41/86/43/488418643.db2.gz VVBMNYKIYNGLIU-GFCCVEGCSA-N 2 0 367.416 0.284 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873406 488434697 /nfs/dbraw/zinc/43/46/97/488434697.db2.gz PKZRLHIGIKEBHA-OAHLLOKOSA-N 2 0 359.478 0.541 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000085360649 488451215 /nfs/dbraw/zinc/45/12/15/488451215.db2.gz SAWQLVPUFRCQJU-CABCVRRESA-N 2 0 355.527 0.849 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085363716 488451332 /nfs/dbraw/zinc/45/13/32/488451332.db2.gz QUIUPIZJGNTVCF-INIZCTEOSA-N 2 0 367.538 0.912 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000085634375 488451802 /nfs/dbraw/zinc/45/18/02/488451802.db2.gz UWPUJIFMTANBAG-SJLPKXTDSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000085634364 488452169 /nfs/dbraw/zinc/45/21/69/488452169.db2.gz UWPUJIFMTANBAG-WMZOPIPTSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961963 488459143 /nfs/dbraw/zinc/45/91/43/488459143.db2.gz JTFIICOJERMFCJ-RBUKOAKNSA-N 2 0 360.502 0.376 20 0 FCADRP CC[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)[NH+](CC)CC ZINC000269164572 488475611 /nfs/dbraw/zinc/47/56/11/488475611.db2.gz CNNWCDBDUZZANI-OAHLLOKOSA-N 2 0 356.492 0.983 20 0 FCADRP C[C@H](CN1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246803847 488476331 /nfs/dbraw/zinc/47/63/31/488476331.db2.gz JETMVJGRZGBAOZ-KBAYOESNSA-N 2 0 368.522 0.774 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256435 488483533 /nfs/dbraw/zinc/48/35/33/488483533.db2.gz SLTVLRKYRSLZOU-RDJZCZTQSA-N 2 0 360.458 0.701 20 0 FCADRP COc1cc(CNC(=O)C[C@@H]2C[NH2+]CCO2)ccc1OCC[NH+](C)C ZINC000269260650 488484020 /nfs/dbraw/zinc/48/40/20/488484020.db2.gz VLOQXTGUTHXBSE-OAHLLOKOSA-N 2 0 351.447 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1=O ZINC000247301807 488484528 /nfs/dbraw/zinc/48/45/28/488484528.db2.gz PDJKOFIUYNEARI-HYVNUMGLSA-N 2 0 350.507 0.905 20 0 FCADRP CC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000102049255 488497127 /nfs/dbraw/zinc/49/71/27/488497127.db2.gz FQTYAQYALYCBKL-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP Cc1conc1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269399021 488499294 /nfs/dbraw/zinc/49/92/94/488499294.db2.gz VAHHZEGVECLLSN-UHFFFAOYSA-N 2 0 372.429 0.645 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000248636924 488499681 /nfs/dbraw/zinc/49/96/81/488499681.db2.gz QMXGSHDXTWMARW-YESZJQIVSA-N 2 0 368.522 0.584 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1cnc2sccc2c1=O ZINC000103212074 488500164 /nfs/dbraw/zinc/50/01/64/488500164.db2.gz LGJYQAHJVKNGOS-UHFFFAOYSA-N 2 0 365.503 0.800 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103305527 488500941 /nfs/dbraw/zinc/50/09/41/488500941.db2.gz QBERZBCAKAOODM-QGZVFWFLSA-N 2 0 365.522 0.810 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000103212442 488501009 /nfs/dbraw/zinc/50/10/09/488501009.db2.gz XNPMSSYRZXEUHB-LBPRGKRZSA-N 2 0 352.401 0.349 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000248969402 488504642 /nfs/dbraw/zinc/50/46/42/488504642.db2.gz OVCNHBQWOKXRRH-ZIFCJYIRSA-N 2 0 362.518 0.792 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCCn2ccnc2)cc1 ZINC000107398369 488517301 /nfs/dbraw/zinc/51/73/01/488517301.db2.gz ZYRZXWHYBVEDQB-UHFFFAOYSA-N 2 0 359.430 0.969 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000108590427 488520379 /nfs/dbraw/zinc/52/03/79/488520379.db2.gz BQNWJAHUZJCRRQ-MRXNPFEDSA-N 2 0 351.495 0.278 20 0 FCADRP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261843559 488537940 /nfs/dbraw/zinc/53/79/40/488537940.db2.gz LSXATZGWJMAZKO-BBWFWOEESA-N 2 0 350.507 0.966 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843869 488538222 /nfs/dbraw/zinc/53/82/22/488538222.db2.gz PSYLXRPZWHSTMW-ZBFHGGJFSA-N 2 0 369.307 0.985 20 0 FCADRP CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000113513689 488538315 /nfs/dbraw/zinc/53/83/15/488538315.db2.gz WMKUGTHUMDXWOJ-MRXNPFEDSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261877239 488539499 /nfs/dbraw/zinc/53/94/99/488539499.db2.gz UGHNCRYMEPXGOX-GUYCJALGSA-N 2 0 368.503 0.052 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261885992 488539927 /nfs/dbraw/zinc/53/99/27/488539927.db2.gz PXBCJWDSKQYKJE-NCOADZHNSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261969763 488544210 /nfs/dbraw/zinc/54/42/10/488544210.db2.gz CUYIHBGPLPCAAZ-CYBMUJFWSA-N 2 0 368.503 0.983 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003322 488545485 /nfs/dbraw/zinc/54/54/85/488545485.db2.gz DSAMZIKSTCULCX-QZTJIDSGSA-N 3 0 351.539 0.299 20 0 FCADRP C[C@H]1CCC[C@@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000262029781 488546958 /nfs/dbraw/zinc/54/69/58/488546958.db2.gz BIYCJHKTTKVGLV-GOEBONIOSA-N 2 0 359.536 0.780 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000262066264 488548660 /nfs/dbraw/zinc/54/86/60/488548660.db2.gz SBEWLNUCJZXPNS-CABCVRRESA-N 2 0 356.392 0.653 20 0 FCADRP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262138934 488552892 /nfs/dbraw/zinc/55/28/92/488552892.db2.gz ONKHMPQRYRTCRC-ZDUSSCGKSA-N 2 0 354.476 0.149 20 0 FCADRP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262138931 488552961 /nfs/dbraw/zinc/55/29/61/488552961.db2.gz ONKHMPQRYRTCRC-CYBMUJFWSA-N 2 0 354.476 0.149 20 0 FCADRP COc1ccc(F)cc1CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262185962 488556222 /nfs/dbraw/zinc/55/62/22/488556222.db2.gz RIEVDWXTMBEPMN-UHFFFAOYSA-N 2 0 364.465 0.774 20 0 FCADRP [NH3+]CC(=O)NCC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262354673 488565517 /nfs/dbraw/zinc/56/55/17/488565517.db2.gz FRQKNODWJQCHAZ-UHFFFAOYSA-N 2 0 360.502 0.912 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262352840 488565525 /nfs/dbraw/zinc/56/55/25/488565525.db2.gz FKUOODCPUMJIFF-CYBMUJFWSA-N 2 0 358.364 0.471 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000262357410 488566278 /nfs/dbraw/zinc/56/62/78/488566278.db2.gz GDLKQKDONOWJEU-UHFFFAOYSA-N 2 0 372.391 0.815 20 0 FCADRP C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000122053834 488574507 /nfs/dbraw/zinc/57/45/07/488574507.db2.gz ILKQEOSCERURCD-CRAIPNDOSA-N 2 0 357.458 0.990 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000122187559 488575862 /nfs/dbraw/zinc/57/58/62/488575862.db2.gz NPSOIHFDJIXLIC-UHFFFAOYSA-N 2 0 362.474 0.650 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000262542511 488576834 /nfs/dbraw/zinc/57/68/34/488576834.db2.gz NMISEMCWVWTDAT-UHFFFAOYSA-N 2 0 353.488 0.531 20 0 FCADRP Cn1cccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1=O ZINC000123847997 488588058 /nfs/dbraw/zinc/58/80/58/488588058.db2.gz FOMFGHWKDOXMTP-UHFFFAOYSA-N 2 0 365.478 0.056 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000554585257 491211294 /nfs/dbraw/zinc/21/12/94/491211294.db2.gz XIBHANBVOQNDDH-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+]1CCN(c2ccccc2NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263228880 488607036 /nfs/dbraw/zinc/60/70/36/488607036.db2.gz HKCYVAYWUMHDAG-SFHVURJKSA-N 2 0 361.490 0.867 20 0 FCADRP C[C@H](C[S@@](C)=O)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126340324 488608275 /nfs/dbraw/zinc/60/82/75/488608275.db2.gz BRVWVXNRJJEHAY-MYYSRTQBSA-N 2 0 352.504 0.819 20 0 FCADRP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316277 488616146 /nfs/dbraw/zinc/61/61/46/488616146.db2.gz VCQKKAVBDYZQEO-HOTGVXAUSA-N 2 0 363.506 0.561 20 0 FCADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127810386 488619847 /nfs/dbraw/zinc/61/98/47/488619847.db2.gz FVMDDUPEWOKNOA-LSDHHAIUSA-N 2 0 354.520 0.881 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000554616402 491213086 /nfs/dbraw/zinc/21/30/86/491213086.db2.gz GQEJYNSRPJMCCF-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263971918 488639889 /nfs/dbraw/zinc/63/98/89/488639889.db2.gz MRWBOOJIZGOILM-UHFFFAOYSA-N 2 0 364.490 0.814 20 0 FCADRP CCCn1c(N)c(C(=O)CN(C)CCCn2ccnc2C)c(=O)[nH]c1=O ZINC000130782712 488640285 /nfs/dbraw/zinc/64/02/85/488640285.db2.gz ZELAEJAZGQKOLH-UHFFFAOYSA-N 2 0 362.434 0.239 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000130824075 488641133 /nfs/dbraw/zinc/64/11/33/488641133.db2.gz DTRGSPKAPXQQRV-OAHLLOKOSA-N 2 0 361.490 0.439 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000264158450 488651325 /nfs/dbraw/zinc/65/13/25/488651325.db2.gz VQSPLJNBYNJSIO-UHFFFAOYSA-N 2 0 372.469 0.672 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136835408 488679296 /nfs/dbraw/zinc/67/92/96/488679296.db2.gz PGJBLPJAFQMJMO-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136835222 488679385 /nfs/dbraw/zinc/67/93/85/488679385.db2.gz PGJBLPJAFQMJMO-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccs1 ZINC000264524611 488682248 /nfs/dbraw/zinc/68/22/48/488682248.db2.gz XCTDNBSRMGBXPT-UONOGXRCSA-N 2 0 367.519 0.990 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccsc1 ZINC000264538436 488683719 /nfs/dbraw/zinc/68/37/19/488683719.db2.gz AHDPHQKKNSAYRW-LSDHHAIUSA-N 2 0 367.519 0.990 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000148611603 488697173 /nfs/dbraw/zinc/69/71/73/488697173.db2.gz YMLPCSOBTWXXIN-UHFFFAOYSA-N 2 0 362.474 0.914 20 0 FCADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151879465 488711074 /nfs/dbraw/zinc/71/10/74/488711074.db2.gz VGJUKINISCBAIP-AWEZNQCLSA-N 2 0 355.504 0.950 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000563092665 491214594 /nfs/dbraw/zinc/21/45/94/491214594.db2.gz LYGUUXZDRDMCGR-KRWDZBQOSA-N 2 0 359.474 0.499 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000274542270 488717992 /nfs/dbraw/zinc/71/79/92/488717992.db2.gz CGPDQHJXKJCSAN-KRWDZBQOSA-N 2 0 352.479 0.911 20 0 FCADRP CN(C(=O)COCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153429934 488730855 /nfs/dbraw/zinc/73/08/55/488730855.db2.gz PVWUBWPNDUYJEI-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000266930561 488745416 /nfs/dbraw/zinc/74/54/16/488745416.db2.gz MEEZAYLXHYZJOQ-SFHVURJKSA-N 2 0 358.486 0.918 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000154788806 488747588 /nfs/dbraw/zinc/74/75/88/488747588.db2.gz XKLYXUQZCIBDDB-UHFFFAOYSA-N 2 0 350.467 0.498 20 0 FCADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000155030914 488749850 /nfs/dbraw/zinc/74/98/50/488749850.db2.gz KJXYMWVDBSYKIR-LSDHHAIUSA-N 2 0 354.520 0.881 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000158230402 488776626 /nfs/dbraw/zinc/77/66/26/488776626.db2.gz WPGGPAILKGUQJP-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000164179239 488810282 /nfs/dbraw/zinc/81/02/82/488810282.db2.gz WFARSQOMJXWSKN-UHFFFAOYSA-N 2 0 350.463 0.942 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000166456150 488811730 /nfs/dbraw/zinc/81/17/30/488811730.db2.gz OTPNGQHGVYSPMM-OAHLLOKOSA-N 2 0 352.504 0.675 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171718900 488826338 /nfs/dbraw/zinc/82/63/38/488826338.db2.gz OPRVHRQJTXFOSQ-KRWDZBQOSA-N 2 0 374.533 0.981 20 0 FCADRP Cc1cc(N2CC[C@@H]([N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173682391 488844542 /nfs/dbraw/zinc/84/45/42/488844542.db2.gz LNGVENHOMPSEAW-NVXWUHKLSA-N 2 0 363.506 0.858 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC[N@@H+]1C[C@H](C)O ZINC000364738226 488995264 /nfs/dbraw/zinc/99/52/64/488995264.db2.gz UMMJCKHLNIBOCG-YAFCLFEMSA-N 2 0 353.507 0.823 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000288681251 489004427 /nfs/dbraw/zinc/00/44/27/489004427.db2.gz CWTPMEYGGUQJNP-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@@H](CC[NH+]1CCN2CCOC[C@@H]2C1)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000563220898 491228359 /nfs/dbraw/zinc/22/83/59/491228359.db2.gz IBWXOMAZYWKCED-OWZKRDHZSA-N 2 0 366.550 0.436 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364991740 489027409 /nfs/dbraw/zinc/02/74/09/489027409.db2.gz LMWDIDJWKMQEBQ-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183471 489046999 /nfs/dbraw/zinc/04/69/99/489046999.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 2 0 367.538 0.517 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183469 489047478 /nfs/dbraw/zinc/04/74/78/489047478.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 2 0 367.538 0.517 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281570461 489087335 /nfs/dbraw/zinc/08/73/35/489087335.db2.gz MFCDWMFGHOECLJ-UHFFFAOYSA-N 2 0 370.519 0.680 20 0 FCADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570308801 491232809 /nfs/dbraw/zinc/23/28/09/491232809.db2.gz DFFHKUPSISHTOD-ZIAGYGMSSA-N 2 0 363.437 0.842 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000570329065 491233843 /nfs/dbraw/zinc/23/38/43/491233843.db2.gz FWZYSJVGIISJCX-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290287348 489128003 /nfs/dbraw/zinc/12/80/03/489128003.db2.gz BHFWFSDEWVWEBV-DLBZAZTESA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC(O)CC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000330681139 489132322 /nfs/dbraw/zinc/13/23/22/489132322.db2.gz GEUOHYYARTUKAC-HOTGVXAUSA-N 2 0 368.522 0.233 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290691635 489157977 /nfs/dbraw/zinc/15/79/77/489157977.db2.gz RPHARQJETDLGKY-UHFFFAOYSA-N 2 0 365.522 0.978 20 0 FCADRP [NH3+][C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000282397329 489160394 /nfs/dbraw/zinc/16/03/94/489160394.db2.gz BTXICWRYIUTBCL-GOSISDBHSA-N 3 0 361.490 0.464 20 0 FCADRP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000331020843 489166201 /nfs/dbraw/zinc/16/62/01/489166201.db2.gz RSPMSIOTGKSEBG-OAHLLOKOSA-N 2 0 354.520 0.662 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000366321197 489170668 /nfs/dbraw/zinc/17/06/68/489170668.db2.gz GQYJZDDPJYHIFU-QGZVFWFLSA-N 2 0 350.442 0.197 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491148 489188833 /nfs/dbraw/zinc/18/88/33/489188833.db2.gz DOBSQUGECDVMJE-JZXOWHBKSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350841 491238685 /nfs/dbraw/zinc/23/86/85/491238685.db2.gz RJVNTTAXLNVQKY-QGZVFWFLSA-N 2 0 356.555 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331431141 489210182 /nfs/dbraw/zinc/21/01/82/489210182.db2.gz AHNSJSYVIRKKOL-CVEARBPZSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000331447976 489212411 /nfs/dbraw/zinc/21/24/11/489212411.db2.gz SPAJTBJGBCJXMQ-QZWWFDLISA-N 2 0 350.507 0.809 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000283102134 489215604 /nfs/dbraw/zinc/21/56/04/489215604.db2.gz ATIRJDYCESHJEV-UHFFFAOYSA-N 2 0 364.494 0.528 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 ZINC000332779372 489229196 /nfs/dbraw/zinc/22/91/96/489229196.db2.gz QNPSFVDZDZMMGC-LMMKCTJWSA-N 2 0 353.507 0.839 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[N@H+](C)C2CC2)[NH+](C)C)c1 ZINC000283378701 489251912 /nfs/dbraw/zinc/25/19/12/489251912.db2.gz IWFZAMVGDWTYEN-KRWDZBQOSA-N 2 0 362.474 0.625 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@H]21 ZINC000297862557 489253159 /nfs/dbraw/zinc/25/31/59/489253159.db2.gz NDVZOJRHJRJTOA-DLBZAZTESA-N 2 0 371.485 0.673 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC000297862561 489253343 /nfs/dbraw/zinc/25/33/43/489253343.db2.gz NDVZOJRHJRJTOA-IRXDYDNUSA-N 2 0 371.485 0.673 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738427 489269563 /nfs/dbraw/zinc/26/95/63/489269563.db2.gz XVWYCBDPMJJMLO-NJAFHUGGSA-N 2 0 366.506 0.744 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540528 489272907 /nfs/dbraw/zinc/27/29/07/489272907.db2.gz RSIUZZUDNFEEDV-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369860789 489283414 /nfs/dbraw/zinc/28/34/14/489283414.db2.gz HPWRTSMXFGJVBH-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633699 489284028 /nfs/dbraw/zinc/28/40/28/489284028.db2.gz PDCASKXHWBBMMD-AWEZNQCLSA-N 2 0 359.478 0.851 20 0 FCADRP CO[C@@H]1C[C@@H]2C(=O)N(CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C(=O)N2C1 ZINC000349303738 489286276 /nfs/dbraw/zinc/28/62/76/489286276.db2.gz AOCGLTRVQBDQBQ-IAGOWNOFSA-N 2 0 373.457 0.645 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1=O ZINC000369911340 489290360 /nfs/dbraw/zinc/29/03/60/489290360.db2.gz KVPJTMFWHOPPBM-OBVSXPTNSA-N 2 0 362.518 0.905 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1=O ZINC000369911350 489290479 /nfs/dbraw/zinc/29/04/79/489290479.db2.gz KVPJTMFWHOPPBM-YYWYGQEZSA-N 2 0 362.518 0.905 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000555340469 491246857 /nfs/dbraw/zinc/24/68/57/491246857.db2.gz BLWKGPDRBODQOU-INIZCTEOSA-N 2 0 358.552 0.958 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000284879033 489315404 /nfs/dbraw/zinc/31/54/04/489315404.db2.gz GJLWANBNQXFKAO-MRXNPFEDSA-N 2 0 350.438 0.755 20 0 FCADRP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC000285859196 489327474 /nfs/dbraw/zinc/32/74/74/489327474.db2.gz IMDZRFSLCKTVLK-LBPRGKRZSA-N 2 0 365.865 0.812 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370481594 489365156 /nfs/dbraw/zinc/36/51/56/489365156.db2.gz VJVBHRLNOMAGJQ-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP COC(=O)[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000370527492 489370669 /nfs/dbraw/zinc/37/06/69/489370669.db2.gz JPAAPJHWRUYFRF-KLHDSHLOSA-N 2 0 356.463 0.485 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000370682499 489388904 /nfs/dbraw/zinc/38/89/04/489388904.db2.gz OCWKYADUYILZJP-MRXNPFEDSA-N 2 0 370.563 0.826 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O ZINC000563530321 491252828 /nfs/dbraw/zinc/25/28/28/491252828.db2.gz QEWMYBOAKSXWNW-AWEZNQCLSA-N 2 0 367.515 0.907 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000362962821 489407754 /nfs/dbraw/zinc/40/77/54/489407754.db2.gz WSIAXMDBSYWJRZ-DLBZAZTESA-N 2 0 354.495 0.338 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659833 489414039 /nfs/dbraw/zinc/41/40/39/489414039.db2.gz LYSOAEBNTJIRAK-GOEBONIOSA-N 2 0 355.442 0.816 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659836 489414339 /nfs/dbraw/zinc/41/43/39/489414339.db2.gz LYSOAEBNTJIRAK-HOCLYGCPSA-N 2 0 355.442 0.816 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@H](C)C1 ZINC000570629358 491254008 /nfs/dbraw/zinc/25/40/08/491254008.db2.gz AJHWMZPACGIWTR-CABCVRRESA-N 2 0 352.483 0.494 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)C1 ZINC000570629359 491254148 /nfs/dbraw/zinc/25/41/48/491254148.db2.gz AJHWMZPACGIWTR-GJZGRUSLSA-N 2 0 352.483 0.494 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371030005 489441012 /nfs/dbraw/zinc/44/10/12/489441012.db2.gz ZJXVGQDGCCUAAF-SFHVURJKSA-N 2 0 369.554 0.622 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697830 491258550 /nfs/dbraw/zinc/25/85/50/491258550.db2.gz BMOIJPFPMLDFSM-ROUUACIJSA-N 2 0 371.485 0.736 20 0 FCADRP Cn1cc(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000299527407 489451978 /nfs/dbraw/zinc/45/19/78/489451978.db2.gz RQJOAZHIOKGOCY-UHFFFAOYSA-N 2 0 371.489 0.869 20 0 FCADRP NC(=O)C1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299604046 489461600 /nfs/dbraw/zinc/46/16/00/489461600.db2.gz WATZMAHBBFSBHL-UHFFFAOYSA-N 2 0 374.489 0.501 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000371342877 489478778 /nfs/dbraw/zinc/47/87/78/489478778.db2.gz ZYFOBFOIBFWCDF-SQNIBIBYSA-N 2 0 352.523 0.630 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000371630551 489491327 /nfs/dbraw/zinc/49/13/27/489491327.db2.gz VDETVQMZIYFCOW-RBUKOAKNSA-N 2 0 358.486 0.259 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423086630 489492130 /nfs/dbraw/zinc/49/21/30/489492130.db2.gz NPUHLKOJIKNXKC-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676693 491256955 /nfs/dbraw/zinc/25/69/55/491256955.db2.gz UZLVNDBRAIXCKZ-MJQMVNBJSA-N 2 0 355.523 0.547 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423120407 489494905 /nfs/dbraw/zinc/49/49/05/489494905.db2.gz GKRWEQXCFPZREV-RYQLBKOJSA-N 2 0 358.486 0.740 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423158508 489498149 /nfs/dbraw/zinc/49/81/49/489498149.db2.gz CXPUYIYVLFVMFS-ROUUACIJSA-N 2 0 373.501 0.844 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000423168701 489498723 /nfs/dbraw/zinc/49/87/23/489498723.db2.gz HXZAJPRDTZGMMD-LJQANCHMSA-N 2 0 362.474 0.690 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000423169705 489498967 /nfs/dbraw/zinc/49/89/67/489498967.db2.gz KFMBVXDKYZGURD-BBRMVZONSA-N 2 0 350.463 0.674 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423169208 489498977 /nfs/dbraw/zinc/49/89/77/489498977.db2.gz VRDCDIILQKJHRG-INIZCTEOSA-N 2 0 350.438 0.666 20 0 FCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423175299 489500438 /nfs/dbraw/zinc/50/04/38/489500438.db2.gz DMXPOPJYPFIUBV-OAHLLOKOSA-N 2 0 354.520 0.883 20 0 FCADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CCC2 ZINC000423190594 489500659 /nfs/dbraw/zinc/50/06/59/489500659.db2.gz STYZESOJZMIYEJ-QGZVFWFLSA-N 2 0 352.504 0.596 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423198971 489501619 /nfs/dbraw/zinc/50/16/19/489501619.db2.gz IWIRHSUHXRXQDM-INIZCTEOSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000423204048 489502339 /nfs/dbraw/zinc/50/23/39/489502339.db2.gz UAYUQBKEKKQXHF-CRAIPNDOSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000423205828 489502553 /nfs/dbraw/zinc/50/25/53/489502553.db2.gz PRTMVTYBUTYDFH-AWEZNQCLSA-N 2 0 350.438 0.536 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423210197 489502769 /nfs/dbraw/zinc/50/27/69/489502769.db2.gz WFUDCRBPGIELLU-UHFFFAOYSA-N 2 0 368.428 0.805 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423262178 489508379 /nfs/dbraw/zinc/50/83/79/489508379.db2.gz LXXGFKAIEXGVHQ-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000423261679 489508673 /nfs/dbraw/zinc/50/86/73/489508673.db2.gz SQKXOPRIFIPEKX-RTBURBONSA-N 2 0 372.513 0.953 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423261676 489508688 /nfs/dbraw/zinc/50/86/88/489508688.db2.gz SQKXOPRIFIPEKX-MOPGFXCFSA-N 2 0 372.513 0.953 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423268675 489509222 /nfs/dbraw/zinc/50/92/22/489509222.db2.gz VBUYNPBZWAFEKI-INIZCTEOSA-N 2 0 358.486 0.930 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000423284001 489511467 /nfs/dbraw/zinc/51/14/67/489511467.db2.gz XWUMOCMMXRAJOO-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000423292381 489511997 /nfs/dbraw/zinc/51/19/97/489511997.db2.gz MTYILVDDQUOQSU-FQEVSTJZSA-N 2 0 358.486 0.918 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423301090 489512649 /nfs/dbraw/zinc/51/26/49/489512649.db2.gz FLSAUMQOHJRXOJ-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)CC1 ZINC000423302792 489513448 /nfs/dbraw/zinc/51/34/48/489513448.db2.gz KNYWGKIJMHYHPV-UMQBVGHOSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000415374059 489516345 /nfs/dbraw/zinc/51/63/45/489516345.db2.gz ILGYZZRPTMFOCW-CYBMUJFWSA-N 2 0 352.410 0.573 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)C1 ZINC000451719335 489519321 /nfs/dbraw/zinc/51/93/21/489519321.db2.gz XEXAGARAQRVGCZ-AKHDSKFASA-N 2 0 367.534 0.942 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000415439105 489521217 /nfs/dbraw/zinc/52/12/17/489521217.db2.gz CJPOZBRALQVNTQ-QGZVFWFLSA-N 2 0 359.474 0.621 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)c2)CC1 ZINC000415551162 489529089 /nfs/dbraw/zinc/52/90/89/489529089.db2.gz DBMYHXMXMVBNSG-CVEARBPZSA-N 2 0 373.501 0.976 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415582255 489532869 /nfs/dbraw/zinc/53/28/69/489532869.db2.gz UECHGMFDJXAMET-WBVHZDCISA-N 2 0 373.501 0.568 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415661997 489540202 /nfs/dbraw/zinc/54/02/02/489540202.db2.gz UZFDIMPUYHYXEU-AWEZNQCLSA-N 2 0 359.474 0.621 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115695 489547251 /nfs/dbraw/zinc/54/72/51/489547251.db2.gz IPKHZQHPDITWDR-FUHWJXTLSA-N 2 0 352.523 0.772 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c(C)c2)CC1 ZINC000415731432 489547591 /nfs/dbraw/zinc/54/75/91/489547591.db2.gz FZTXIFNXEBLYKE-UHFFFAOYSA-N 2 0 359.474 0.506 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415826127 489556586 /nfs/dbraw/zinc/55/65/86/489556586.db2.gz ZVPTYGXNBWJIQB-HUUCEWRRSA-N 2 0 368.441 1.054 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930967 489564753 /nfs/dbraw/zinc/56/47/53/489564753.db2.gz BAABYQFJCWFXAC-CQSZACIVSA-N 2 0 363.462 0.733 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416010420 489567302 /nfs/dbraw/zinc/56/73/02/489567302.db2.gz QFLBOAICGODCRQ-GFCCVEGCSA-N 2 0 367.416 0.462 20 0 FCADRP NC(=O)[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000454426737 489569548 /nfs/dbraw/zinc/56/95/48/489569548.db2.gz PMICSHPNIHCTFT-CVEARBPZSA-N 2 0 374.489 0.547 20 0 FCADRP COCC(COC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454427379 489569669 /nfs/dbraw/zinc/56/96/69/489569669.db2.gz PWNDUKUXIPEINS-UHFFFAOYSA-N 2 0 365.478 0.554 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000555661214 491263454 /nfs/dbraw/zinc/26/34/54/491263454.db2.gz TZUNNEALMQNBSO-UHFFFAOYSA-N 2 0 370.538 0.527 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426567629 489575662 /nfs/dbraw/zinc/57/56/62/489575662.db2.gz LMOSUTNCLZHOTO-IRXDYDNUSA-N 2 0 368.522 0.510 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000555697870 491266737 /nfs/dbraw/zinc/26/67/37/491266737.db2.gz BCLHTYAHOVMSNS-QZTJIDSGSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000555698852 491266891 /nfs/dbraw/zinc/26/68/91/491266891.db2.gz SGNLVUMALAUYQG-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000570817932 491267022 /nfs/dbraw/zinc/26/70/22/491267022.db2.gz XYOIYIXKCPCNMV-UHFFFAOYSA-N 2 0 354.520 0.414 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416868350 489631827 /nfs/dbraw/zinc/63/18/27/489631827.db2.gz FBMBQPAIVJEYMU-AWEZNQCLSA-N 2 0 365.444 0.998 20 0 FCADRP CC[NH+]1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416860704 489632016 /nfs/dbraw/zinc/63/20/16/489632016.db2.gz VYDBGYHZHBKQHE-CYBMUJFWSA-N 2 0 351.417 0.606 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417016392 489638686 /nfs/dbraw/zinc/63/86/86/489638686.db2.gz GCSWZQSIOFUUSZ-BBWFWOEESA-N 2 0 367.538 0.851 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030862 489639254 /nfs/dbraw/zinc/63/92/54/489639254.db2.gz PSTIGWITMCEHQI-ZIAGYGMSSA-N 2 0 365.444 0.996 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417238989 489645375 /nfs/dbraw/zinc/64/53/75/489645375.db2.gz NDLUBJDBLYNGSI-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417292352 489646705 /nfs/dbraw/zinc/64/67/05/489646705.db2.gz WYKUFTBVNHDNFA-LXZKKBNFSA-N 2 0 353.511 0.663 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000457502450 489647192 /nfs/dbraw/zinc/64/71/92/489647192.db2.gz FCFLROXLBLDICY-DLBZAZTESA-N 2 0 356.511 0.489 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417312620 489647868 /nfs/dbraw/zinc/64/78/68/489647868.db2.gz NXYBSWLUVUBRRW-CVEARBPZSA-N 2 0 353.511 0.603 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418871 489651911 /nfs/dbraw/zinc/65/19/11/489651911.db2.gz BZVVFVIMKPMCAR-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000555732380 491269130 /nfs/dbraw/zinc/26/91/30/491269130.db2.gz IKCILRQQMINNQP-JKSUJKDBSA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448767 489654777 /nfs/dbraw/zinc/65/47/77/489654777.db2.gz WIIQRVDDTAMMFW-CHWSQXEVSA-N 2 0 353.433 0.852 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417506923 489657089 /nfs/dbraw/zinc/65/70/89/489657089.db2.gz QRDIQYAADJFVAZ-INIZCTEOSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000417521110 489657142 /nfs/dbraw/zinc/65/71/42/489657142.db2.gz YOIWRZAVGTWHPK-INIZCTEOSA-N 2 0 361.494 0.382 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000417519713 489657172 /nfs/dbraw/zinc/65/71/72/489657172.db2.gz VWBUIHFMYYIDOO-MRXNPFEDSA-N 2 0 361.494 0.430 20 0 FCADRP COC[C@]1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[NH2+]1 ZINC000417518338 489657177 /nfs/dbraw/zinc/65/71/77/489657177.db2.gz KPAVLHPELYFGAF-QGZVFWFLSA-N 2 0 354.495 0.699 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000417519712 489657237 /nfs/dbraw/zinc/65/72/37/489657237.db2.gz VWBUIHFMYYIDOO-INIZCTEOSA-N 2 0 361.494 0.430 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000417524714 489657250 /nfs/dbraw/zinc/65/72/50/489657250.db2.gz KDOOFGOKXDLWAN-GOSISDBHSA-N 2 0 364.490 0.929 20 0 FCADRP [NH3+]C[C@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)C1CCCCC1 ZINC000417643428 489660189 /nfs/dbraw/zinc/66/01/89/489660189.db2.gz CKIYWDIFAGTNJC-SFHVURJKSA-N 2 0 369.554 0.583 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417753360 489664863 /nfs/dbraw/zinc/66/48/63/489664863.db2.gz OLKPJLPTMCDJGY-IRXDYDNUSA-N 2 0 356.511 0.883 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417807665 489666228 /nfs/dbraw/zinc/66/62/28/489666228.db2.gz DJSGAESWTHFZNP-INIZCTEOSA-N 2 0 353.511 0.572 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417837877 489668097 /nfs/dbraw/zinc/66/80/97/489668097.db2.gz INEPVYIGILDCNF-MRXNPFEDSA-N 2 0 367.538 0.912 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417846746 489668473 /nfs/dbraw/zinc/66/84/73/489668473.db2.gz QFAJJVGHURXIOT-OAHLLOKOSA-N 2 0 353.511 0.650 20 0 FCADRP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000417856614 489668592 /nfs/dbraw/zinc/66/85/92/489668592.db2.gz MZXSMLRTYXMRIM-GJZGRUSLSA-N 2 0 355.527 0.992 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458230713 489674329 /nfs/dbraw/zinc/67/43/29/489674329.db2.gz GTURAQARYGCZDO-QGZVFWFLSA-N 2 0 356.511 0.633 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC[N@@H+]1C ZINC000418001083 489674741 /nfs/dbraw/zinc/67/47/41/489674741.db2.gz KHLSDOXAAXMHLU-QBPKDAKJSA-N 2 0 365.522 0.759 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000458242485 489675292 /nfs/dbraw/zinc/67/52/92/489675292.db2.gz RAEFVZOOPYDJGN-SJPCQFCGSA-N 2 0 356.511 0.848 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426993 489682762 /nfs/dbraw/zinc/68/27/62/489682762.db2.gz NQXHOUWODYWLCF-HZPDHXFCSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709375 489697406 /nfs/dbraw/zinc/69/74/06/489697406.db2.gz CSLVSFRGSVGOHX-IRXDYDNUSA-N 2 0 356.511 0.633 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418483600 489702050 /nfs/dbraw/zinc/70/20/50/489702050.db2.gz ZKASXJBZIGHVDZ-DLBZAZTESA-N 2 0 361.490 0.312 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(C)c1C ZINC000489242872 489702563 /nfs/dbraw/zinc/70/25/63/489702563.db2.gz UIBKSGWNHXSECO-HNNXBMFYSA-N 2 0 357.524 0.765 20 0 FCADRP CC(C)C[C@H](NC(=O)NCC1(C)CC[NH2+]CC1)C(=O)NCC[NH+](C)C ZINC000418513613 489703320 /nfs/dbraw/zinc/70/33/20/489703320.db2.gz GJKDMVUWHQMWDR-HNNXBMFYSA-N 2 0 355.527 0.768 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418562248 489706798 /nfs/dbraw/zinc/70/67/98/489706798.db2.gz QTISSHVYWRPKOO-ZWKOTPCHSA-N 2 0 364.490 0.754 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418558988 489706974 /nfs/dbraw/zinc/70/69/74/489706974.db2.gz CGUAQMJLROPLBY-HEHGZKQESA-N 2 0 354.401 0.698 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418570864 489707766 /nfs/dbraw/zinc/70/77/66/489707766.db2.gz RBOPWSXULUOPAN-XCRHUMRWSA-N 2 0 368.428 0.776 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418623585 489711822 /nfs/dbraw/zinc/71/18/22/489711822.db2.gz OFWPLQSYRSDOMX-MRXNPFEDSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCSC1 ZINC000489496024 489713918 /nfs/dbraw/zinc/71/39/18/489713918.db2.gz KNJIMRSUHDXVMO-RDJZCZTQSA-N 2 0 356.536 0.787 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1)[C@H]1CCC[NH2+]1 ZINC000570923983 491273862 /nfs/dbraw/zinc/27/38/62/491273862.db2.gz PLDLAVDFMMAABR-KFKAGJAMSA-N 2 0 370.497 0.980 20 0 FCADRP CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000418725765 489720354 /nfs/dbraw/zinc/72/03/54/489720354.db2.gz PAPSWPAOWBRCRW-OAGGEKHMSA-N 2 0 355.527 0.896 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418755251 489722756 /nfs/dbraw/zinc/72/27/56/489722756.db2.gz FMAJCSVTBZHOLO-GOSISDBHSA-N 2 0 367.538 0.424 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418757014 489722870 /nfs/dbraw/zinc/72/28/70/489722870.db2.gz HDJLESGMAWEGPW-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875258 491274177 /nfs/dbraw/zinc/27/41/77/491274177.db2.gz DWZOAWTWKKEHBD-KGLIPLIRSA-N 2 0 365.444 0.806 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418773809 489725157 /nfs/dbraw/zinc/72/51/57/489725157.db2.gz UTYOKSNXOKIWJP-KRWDZBQOSA-N 2 0 356.511 0.755 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459277768 489725381 /nfs/dbraw/zinc/72/53/81/489725381.db2.gz AYUCNSPURMVFCB-HZPDHXFCSA-N 2 0 354.495 0.997 20 0 FCADRP O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786734 489727763 /nfs/dbraw/zinc/72/77/63/489727763.db2.gz JFGSEUJJUGETKH-KURKYZTESA-N 2 0 362.474 0.300 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418796140 489729563 /nfs/dbraw/zinc/72/95/63/489729563.db2.gz DGGGHJCEUCQPSQ-HNNXBMFYSA-N 2 0 354.495 0.239 20 0 FCADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418804884 489731155 /nfs/dbraw/zinc/73/11/55/489731155.db2.gz ZPBMXNADCCDOBY-IRXDYDNUSA-N 2 0 350.463 0.976 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418802271 489731386 /nfs/dbraw/zinc/73/13/86/489731386.db2.gz JXBYETPLPMKBFP-OAHLLOKOSA-N 2 0 354.495 0.191 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000418807045 489731620 /nfs/dbraw/zinc/73/16/20/489731620.db2.gz YVRUTSBEEZVXRQ-UHFFFAOYSA-N 2 0 350.507 0.896 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805407 489732140 /nfs/dbraw/zinc/73/21/40/489732140.db2.gz NFVCZVCDIMTTNK-INIZCTEOSA-N 2 0 366.506 0.254 20 0 FCADRP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000555809585 491274821 /nfs/dbraw/zinc/27/48/21/491274821.db2.gz OZCPLCGVRMUPKP-UHFFFAOYSA-N 2 0 352.454 0.702 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418825640 489741541 /nfs/dbraw/zinc/74/15/41/489741541.db2.gz AKWDIPPUQADPBT-MANSERQUSA-N 2 0 372.513 0.780 20 0 FCADRP CN1CCO[C@@H]([C@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950943 491278627 /nfs/dbraw/zinc/27/86/27/491278627.db2.gz AQCXCUUAXSIZLF-SJLPKXTDSA-N 2 0 366.893 0.733 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418827159 489742693 /nfs/dbraw/zinc/74/26/93/489742693.db2.gz BWOLIOXIKQJJFY-RDJZCZTQSA-N 2 0 374.485 0.756 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418832954 489745844 /nfs/dbraw/zinc/74/58/44/489745844.db2.gz MOVYXDBFIYEFFS-MJBXVCDLSA-N 2 0 352.504 0.971 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000418837882 489747986 /nfs/dbraw/zinc/74/79/86/489747986.db2.gz BIDHSEHQTMHIQA-BBRMVZONSA-N 2 0 350.463 0.386 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576763 489748511 /nfs/dbraw/zinc/74/85/11/489748511.db2.gz XOGLKEBPEHFTDP-CHWSQXEVSA-N 2 0 354.476 0.722 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418839728 489750063 /nfs/dbraw/zinc/75/00/63/489750063.db2.gz DMRJSJNWLZZSJH-FGTMMUONSA-N 2 0 356.470 0.445 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418841049 489750981 /nfs/dbraw/zinc/75/09/81/489750981.db2.gz GFGPOLWXMWTVSZ-ZIAGYGMSSA-N 2 0 366.487 0.106 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418840892 489751357 /nfs/dbraw/zinc/75/13/57/489751357.db2.gz YJFDZUQLUVBFOG-TZMCWYRMSA-N 2 0 366.462 0.134 20 0 FCADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608210 489752241 /nfs/dbraw/zinc/75/22/41/489752241.db2.gz DTBFLYKDOFQQFR-GOEBONIOSA-N 2 0 362.474 0.487 20 0 FCADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430611327 489753292 /nfs/dbraw/zinc/75/32/92/489753292.db2.gz OFEAMPXUJJIJRP-KRWDZBQOSA-N 2 0 362.474 0.236 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000430615285 489753965 /nfs/dbraw/zinc/75/39/65/489753965.db2.gz AZPKDGKJESDVEZ-LJQANCHMSA-N 2 0 372.513 0.879 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C)c1 ZINC000418847228 489754083 /nfs/dbraw/zinc/75/40/83/489754083.db2.gz HRBWRVUGJFJZJY-INIZCTEOSA-N 2 0 364.490 0.857 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418848346 489754477 /nfs/dbraw/zinc/75/44/77/489754477.db2.gz LHEGOOIXBLBXSZ-BPQIPLTHSA-N 2 0 360.502 0.719 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]1CCCC1 ZINC000418852181 489757266 /nfs/dbraw/zinc/75/72/66/489757266.db2.gz QIZBQTXFTGOXJM-OAHLLOKOSA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630979 489758099 /nfs/dbraw/zinc/75/80/99/489758099.db2.gz SJRNXJLCYJOLLA-QGZVFWFLSA-N 2 0 374.485 0.455 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418854946 489758362 /nfs/dbraw/zinc/75/83/62/489758362.db2.gz CJWGTVVGHIWCFU-MRXNPFEDSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633297 489758558 /nfs/dbraw/zinc/75/85/58/489758558.db2.gz ZQSWMUYSYFWUPH-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000418855427 489759658 /nfs/dbraw/zinc/75/96/58/489759658.db2.gz DHCQIIKSGONBEP-HOTGVXAUSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640876 489760576 /nfs/dbraw/zinc/76/05/76/489760576.db2.gz LFNQHUFXSYEMAC-IEBWSBKVSA-N 2 0 372.513 0.878 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418858805 489761399 /nfs/dbraw/zinc/76/13/99/489761399.db2.gz KAQDWWLVZDEHTE-KGLIPLIRSA-N 2 0 350.488 0.822 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418858502 489761529 /nfs/dbraw/zinc/76/15/29/489761529.db2.gz JQVWRZSJIIDZLN-KGLIPLIRSA-N 2 0 350.488 0.855 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662783 489762929 /nfs/dbraw/zinc/76/29/29/489762929.db2.gz JACVHHQIILJHGA-AEFFLSMTSA-N 2 0 356.470 0.936 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C[NH2+]1 ZINC000418862563 489764122 /nfs/dbraw/zinc/76/41/22/489764122.db2.gz ANOWVTSRKRVVQW-RVKKMQEKSA-N 2 0 374.485 0.078 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871084 489767941 /nfs/dbraw/zinc/76/79/41/489767941.db2.gz ZLHRPUUOXZOWMF-PXNSSMCTSA-N 2 0 358.486 0.883 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418871276 489768221 /nfs/dbraw/zinc/76/82/21/489768221.db2.gz VEQWAZLLLBEMKU-CABCVRRESA-N 2 0 354.495 0.189 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418875620 489769601 /nfs/dbraw/zinc/76/96/01/489769601.db2.gz KYFKCAAQOYCQEU-WMLDXEAASA-N 2 0 362.474 0.754 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@@H]1C[NH3+] ZINC000418878103 489771009 /nfs/dbraw/zinc/77/10/09/489771009.db2.gz QFNTVLXQXBVVQJ-BPQIPLTHSA-N 2 0 360.502 0.861 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418876556 489771082 /nfs/dbraw/zinc/77/10/82/489771082.db2.gz GOYBJRSXJQDDHM-FZMZJTMJSA-N 2 0 356.829 0.663 20 0 FCADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878371 489774815 /nfs/dbraw/zinc/77/48/15/489774815.db2.gz NWBVKOQNPRSUAC-MAUKXSAKSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000459894907 489783606 /nfs/dbraw/zinc/78/36/06/489783606.db2.gz CVQCYDIXNCBWOL-UHFFFAOYSA-N 2 0 370.538 0.602 20 0 FCADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCOc1ccc2c(c1)OCO2 ZINC000431033721 489786080 /nfs/dbraw/zinc/78/60/80/489786080.db2.gz RMEAXHXRPSWCGM-UHFFFAOYSA-N 2 0 361.442 0.986 20 0 FCADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000474810056 489787727 /nfs/dbraw/zinc/78/77/27/489787727.db2.gz NQNNFNJOCRAJOC-GJZGRUSLSA-N 2 0 360.502 0.863 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418916594 489790001 /nfs/dbraw/zinc/79/00/01/489790001.db2.gz HFMMOPVFSQGJOE-IRXDYDNUSA-N 2 0 368.522 0.483 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418916603 489790427 /nfs/dbraw/zinc/79/04/27/489790427.db2.gz HFMMOPVFSQGJOE-SJORKVTESA-N 2 0 368.522 0.483 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000418917854 489791227 /nfs/dbraw/zinc/79/12/27/489791227.db2.gz IJPJXHOJWHNEAV-JKSUJKDBSA-N 2 0 354.495 0.047 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000459915997 489791375 /nfs/dbraw/zinc/79/13/75/489791375.db2.gz CJKJXJRIEIGXCD-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919694 489792505 /nfs/dbraw/zinc/79/25/05/489792505.db2.gz KHCBHMVEUZDIDA-HOTGVXAUSA-N 2 0 368.522 0.354 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418930480 489793972 /nfs/dbraw/zinc/79/39/72/489793972.db2.gz XXEZHWNSFGURBH-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418934126 489795904 /nfs/dbraw/zinc/79/59/04/489795904.db2.gz BNUDEQGWQIAWAB-KXBFYZLASA-N 2 0 362.474 0.991 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000418937215 489795973 /nfs/dbraw/zinc/79/59/73/489795973.db2.gz FWXKMSGWOVFAJS-CABCVRRESA-N 2 0 350.463 0.895 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)C1 ZINC000376801878 489798472 /nfs/dbraw/zinc/79/84/72/489798472.db2.gz NXNBGVNEAROSPD-KZNAEPCWSA-N 2 0 368.522 0.848 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431286817 489798924 /nfs/dbraw/zinc/79/89/24/489798924.db2.gz ZYIYFDSSPSTSCS-HNNXBMFYSA-N 2 0 351.495 0.515 20 0 FCADRP CC(C)C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000570999788 491279465 /nfs/dbraw/zinc/27/94/65/491279465.db2.gz YLFDSDPDBFKBSM-SJORKVTESA-N 2 0 370.538 0.648 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555886128 491279475 /nfs/dbraw/zinc/27/94/75/491279475.db2.gz LTSSOCHKUFWOST-AWEZNQCLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000418945538 489799623 /nfs/dbraw/zinc/79/96/23/489799623.db2.gz PWDFVBQGYALAPB-RBSFLKMASA-N 2 0 350.463 0.974 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000555885440 491279525 /nfs/dbraw/zinc/27/95/25/491279525.db2.gz GEHVMMZGJSCVJE-GASCZTMLSA-N 2 0 366.506 0.345 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000418949059 489801269 /nfs/dbraw/zinc/80/12/69/489801269.db2.gz USASKNUSTSUFIP-GJZGRUSLSA-N 2 0 366.462 0.355 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000418956217 489803451 /nfs/dbraw/zinc/80/34/51/489803451.db2.gz RKISSVFUDVQLED-ZACQAIPSSA-N 2 0 366.506 0.081 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418964655 489806424 /nfs/dbraw/zinc/80/64/24/489806424.db2.gz NLZUQNYWDOAYEI-HNNXBMFYSA-N 2 0 362.474 0.583 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000418967670 489807637 /nfs/dbraw/zinc/80/76/37/489807637.db2.gz SNJHPWDZWGHXBF-MRXNPFEDSA-N 2 0 374.485 0.598 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418981000 489809413 /nfs/dbraw/zinc/80/94/13/489809413.db2.gz GDBQNRQBVUTYHY-CJNGLKHVSA-N 2 0 362.474 0.594 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418988003 489811218 /nfs/dbraw/zinc/81/12/18/489811218.db2.gz RAWLNEUTCNWOFI-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000459995121 489811703 /nfs/dbraw/zinc/81/17/03/489811703.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 2 0 367.538 0.023 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459997724 489812728 /nfs/dbraw/zinc/81/27/28/489812728.db2.gz TYBAVOJXWTXQLF-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419015876 489818692 /nfs/dbraw/zinc/81/86/92/489818692.db2.gz FJJIJAMQNXWAPM-ROUUACIJSA-N 2 0 358.486 0.822 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017986 489819394 /nfs/dbraw/zinc/81/93/94/489819394.db2.gz BHSZMFPBYBNCPS-XHSDSOJGSA-N 2 0 350.507 0.895 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419017549 489819761 /nfs/dbraw/zinc/81/97/61/489819761.db2.gz BBMYDKFNDRZDGM-KLHDSHLOSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419020435 489820727 /nfs/dbraw/zinc/82/07/27/489820727.db2.gz FTZPYEFDYBSUBD-LSDHHAIUSA-N 2 0 354.495 0.189 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419024849 489822614 /nfs/dbraw/zinc/82/26/14/489822614.db2.gz LCRZSXVYFZXHDX-HUUCEWRRSA-N 2 0 356.511 0.211 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419030655 489825461 /nfs/dbraw/zinc/82/54/61/489825461.db2.gz UHIJLRXFIUZORW-OAGGEKHMSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033141 489826378 /nfs/dbraw/zinc/82/63/78/489826378.db2.gz XVBHSRQTLUWIKS-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC000419035982 489828410 /nfs/dbraw/zinc/82/84/10/489828410.db2.gz FWIDTGMRYJQPTB-QAETUUGQSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419037016 489828570 /nfs/dbraw/zinc/82/85/70/489828570.db2.gz QCZXJTCYOUMSTH-CQSZACIVSA-N 2 0 354.520 0.332 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000419040145 489830426 /nfs/dbraw/zinc/83/04/26/489830426.db2.gz MDHSTXUGNMSKEK-XHSDSOJGSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419043388 489831031 /nfs/dbraw/zinc/83/10/31/489831031.db2.gz JLRCPGKIZMVJDR-DZJNRPSUSA-N 2 0 356.470 0.616 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000419049112 489835015 /nfs/dbraw/zinc/83/50/15/489835015.db2.gz WWRMSDXQDMUFCZ-JSGCOSHPSA-N 2 0 354.401 0.648 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000460084552 489848624 /nfs/dbraw/zinc/84/86/24/489848624.db2.gz VETTTXNSPXFJJF-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000419091218 489852109 /nfs/dbraw/zinc/85/21/09/489852109.db2.gz VYIZWPUEYFQORM-LZWOXQAQSA-N 2 0 368.522 0.624 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419095582 489854547 /nfs/dbraw/zinc/85/45/47/489854547.db2.gz ATZMNDGNNKHNFE-WCXIOVBPSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000419101743 489855681 /nfs/dbraw/zinc/85/56/81/489855681.db2.gz CZYFKEAEXVMCHC-SFHVURJKSA-N 2 0 350.438 0.701 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419103983 489856025 /nfs/dbraw/zinc/85/60/25/489856025.db2.gz GUWFFVSFSWYKPQ-OAHLLOKOSA-N 2 0 350.438 0.714 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419104481 489856695 /nfs/dbraw/zinc/85/66/95/489856695.db2.gz HFRMHBATSMQDDH-ZDUSSCGKSA-N 2 0 360.380 0.760 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000419107461 489858124 /nfs/dbraw/zinc/85/81/24/489858124.db2.gz KNYDPSMZHRGHPX-BLLLJJGKSA-N 2 0 350.438 0.699 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000460265760 489860727 /nfs/dbraw/zinc/86/07/27/489860727.db2.gz ZEMCFGBMSIVQEB-BQFCYCMXSA-N 2 0 356.511 0.489 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000419115256 489861706 /nfs/dbraw/zinc/86/17/06/489861706.db2.gz SWLVWEBUOJSUGT-XJKSGUPXSA-N 2 0 350.438 0.747 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)CC(C)C ZINC000419119599 489864262 /nfs/dbraw/zinc/86/42/62/489864262.db2.gz BLDXMCIILLMPHS-HZPDHXFCSA-N 2 0 356.511 0.354 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120154 489866695 /nfs/dbraw/zinc/86/66/95/489866695.db2.gz XXGVYPZJVXMAME-MRXNPFEDSA-N 3 0 352.523 0.901 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000433113446 489866765 /nfs/dbraw/zinc/86/67/65/489866765.db2.gz DWJFDSQEWONDTA-QGZVFWFLSA-N 2 0 366.506 0.430 20 0 FCADRP CNS(=O)(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433121917 489868090 /nfs/dbraw/zinc/86/80/90/489868090.db2.gz OWUGQVIZYDVYEH-UHFFFAOYSA-N 2 0 374.532 0.476 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)ccn2)CC1 ZINC000433157557 489868512 /nfs/dbraw/zinc/86/85/12/489868512.db2.gz GPCKDGRNFAAIML-UHFFFAOYSA-N 3 0 374.533 0.653 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000433154817 489868586 /nfs/dbraw/zinc/86/85/86/489868586.db2.gz BZMNWVPRLJRIPR-UHFFFAOYSA-N 2 0 373.457 0.880 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150823 489869127 /nfs/dbraw/zinc/86/91/27/489869127.db2.gz GZOUAKQNQHTTHT-QGZVFWFLSA-N 3 0 367.538 0.249 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150822 489869183 /nfs/dbraw/zinc/86/91/83/489869183.db2.gz GZOUAKQNQHTTHT-KRWDZBQOSA-N 3 0 367.538 0.249 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419979677 489872013 /nfs/dbraw/zinc/87/20/13/489872013.db2.gz PUSDPSNLGRKQRX-OWCLPIDISA-N 2 0 354.495 0.108 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000419999894 489877767 /nfs/dbraw/zinc/87/77/67/489877767.db2.gz NLZNIENUIPEIDD-AQFXKWCLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019201 489882317 /nfs/dbraw/zinc/88/23/17/489882317.db2.gz ZXDAUMISLZTCQQ-HYVNUMGLSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020277 489883351 /nfs/dbraw/zinc/88/33/51/489883351.db2.gz FBRGOAMOFKOWJA-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000420021870 489883402 /nfs/dbraw/zinc/88/34/02/489883402.db2.gz UPGSAIRCYBMDID-JXFKEZNVSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420023371 489884257 /nfs/dbraw/zinc/88/42/57/489884257.db2.gz XFZLZLNEYLMRCI-SJORKVTESA-N 2 0 366.506 0.191 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420023336 489884396 /nfs/dbraw/zinc/88/43/96/489884396.db2.gz APYFMTBDZPXELU-KFWWJZLASA-N 2 0 354.495 0.310 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420026216 489885239 /nfs/dbraw/zinc/88/52/39/489885239.db2.gz ZXDAUMISLZTCQQ-UAGQMJEPSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000433460836 489886456 /nfs/dbraw/zinc/88/64/56/489886456.db2.gz RUPGORKCJQKMCR-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)C[NH+]1CCCCC1 ZINC000420031897 489887414 /nfs/dbraw/zinc/88/74/14/489887414.db2.gz HMEXOXLTOMLNDU-ILXRZTDVSA-N 2 0 354.495 0.454 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040943 489891055 /nfs/dbraw/zinc/89/10/55/489891055.db2.gz PLYYMMLGWMWBDL-DZGCQCFKSA-N 2 0 352.479 0.302 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000420057869 489896933 /nfs/dbraw/zinc/89/69/33/489896933.db2.gz HXJZUYMQTIWBBC-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420064107 489899819 /nfs/dbraw/zinc/89/98/19/489899819.db2.gz OGZCJSDTMOETGM-SFHVURJKSA-N 2 0 358.486 0.963 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)CC1 ZINC000420063847 489900509 /nfs/dbraw/zinc/90/05/09/489900509.db2.gz NXVCUPKOUHFZSV-WBVHZDCISA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420066644 489901341 /nfs/dbraw/zinc/90/13/41/489901341.db2.gz RPHQKGBOESPDND-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420090101 489908719 /nfs/dbraw/zinc/90/87/19/489908719.db2.gz FYCMVRGQWOMACQ-CZUORRHYSA-N 2 0 368.428 0.547 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000420095275 489910140 /nfs/dbraw/zinc/91/01/40/489910140.db2.gz FMHQLQMQHHFDFB-GASCZTMLSA-N 2 0 374.485 0.522 20 0 FCADRP CN(CCC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377528479 489915358 /nfs/dbraw/zinc/91/53/58/489915358.db2.gz REWFIBCPPZQLGB-KRWDZBQOSA-N 2 0 350.511 0.731 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420112361 489916298 /nfs/dbraw/zinc/91/62/98/489916298.db2.gz ATUPKFPMJDTVDJ-JKSUJKDBSA-N 2 0 367.538 0.247 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420119402 489918882 /nfs/dbraw/zinc/91/88/82/489918882.db2.gz KVQVKFMTOPLZLS-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576193 489924242 /nfs/dbraw/zinc/92/42/42/489924242.db2.gz AIMIIUIIRBVILA-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000420133642 489924683 /nfs/dbraw/zinc/92/46/83/489924683.db2.gz ZESMVUPNYGFNDI-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000495315053 489934571 /nfs/dbraw/zinc/93/45/71/489934571.db2.gz SPXJETVUFKZGMF-DOTOQJQBSA-N 2 0 366.506 0.333 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000477067975 489938671 /nfs/dbraw/zinc/93/86/71/489938671.db2.gz PJGHVZCBRUCCQJ-HZPDHXFCSA-N 2 0 356.511 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000477067976 489938780 /nfs/dbraw/zinc/93/87/80/489938780.db2.gz PJGHVZCBRUCCQJ-JKSUJKDBSA-N 2 0 356.511 0.450 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420173316 489940094 /nfs/dbraw/zinc/94/00/94/489940094.db2.gz XASURNRGZVUKHC-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169707 491290143 /nfs/dbraw/zinc/29/01/43/491290143.db2.gz YAVXQTCOODHJPB-IXDOHACOSA-N 2 0 363.506 0.608 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420194135 489947582 /nfs/dbraw/zinc/94/75/82/489947582.db2.gz DOFBJOLTVLRFFL-ZQVUSRCWSA-N 2 0 362.518 0.809 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420195270 489948524 /nfs/dbraw/zinc/94/85/24/489948524.db2.gz KKCLGCAPDMNINJ-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000462010581 489950229 /nfs/dbraw/zinc/95/02/29/489950229.db2.gz NZYGWMMYMNFMOJ-HOTGVXAUSA-N 2 0 353.511 0.663 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCCCC1 ZINC000420200777 489950329 /nfs/dbraw/zinc/95/03/29/489950329.db2.gz GOKRJWVPNUEVSE-WCXIOVBPSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420203566 489951620 /nfs/dbraw/zinc/95/16/20/489951620.db2.gz QFQCXABUYGTVSP-ROUUACIJSA-N 2 0 374.485 0.214 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420207329 489953175 /nfs/dbraw/zinc/95/31/75/489953175.db2.gz QKMVYAILXWGAHU-INIZCTEOSA-N 2 0 374.485 0.343 20 0 FCADRP CN1CCN(S(=O)(=O)c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)nc2)CC1 ZINC000420237980 489956656 /nfs/dbraw/zinc/95/66/56/489956656.db2.gz MVSQYJGXSDQMFA-KGLIPLIRSA-N 2 0 353.492 0.700 20 0 FCADRP COCCOCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000564155656 491291324 /nfs/dbraw/zinc/29/13/24/491291324.db2.gz DYSUDZXGEFTBEF-INIZCTEOSA-N 2 0 350.463 0.714 20 0 FCADRP CCCn1c(N)c(C(=O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(=O)[nH]c1=O ZINC000420318507 489962900 /nfs/dbraw/zinc/96/29/00/489962900.db2.gz PYVTWVKOGVUUNI-CYBMUJFWSA-N 2 0 363.462 0.445 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329218 489963686 /nfs/dbraw/zinc/96/36/86/489963686.db2.gz OCANHMFSNHPMRG-KGLIPLIRSA-N 2 0 363.462 0.857 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325306 489963863 /nfs/dbraw/zinc/96/38/63/489963863.db2.gz BMTZXOHWMHQZGZ-HDICACEKSA-N 2 0 358.486 0.822 20 0 FCADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000420341735 489964806 /nfs/dbraw/zinc/96/48/06/489964806.db2.gz QCSOUMVUXZEUER-BETUJISGSA-N 2 0 359.409 0.671 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000420373297 489968202 /nfs/dbraw/zinc/96/82/02/489968202.db2.gz GAEANMIKSNDTRC-CGTJXYLNSA-N 2 0 352.523 0.757 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886447 489972651 /nfs/dbraw/zinc/97/26/51/489972651.db2.gz CBUGQWFAQJEJDF-CABCVRRESA-N 2 0 362.526 0.681 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000420411372 489973474 /nfs/dbraw/zinc/97/34/74/489973474.db2.gz BVJNMNZIAZEBDF-LBPRGKRZSA-N 2 0 357.524 0.809 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000420411375 489973637 /nfs/dbraw/zinc/97/36/37/489973637.db2.gz BVVQWIHKXHJIJX-IUODEOHRSA-N 2 0 357.524 0.728 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462405081 489973960 /nfs/dbraw/zinc/97/39/60/489973960.db2.gz ADPXJZRNRWNWTF-INIZCTEOSA-N 2 0 352.460 0.348 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420436522 489976768 /nfs/dbraw/zinc/97/67/68/489976768.db2.gz AYPGGOGMWPTSKE-HNNXBMFYSA-N 2 0 357.524 0.872 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477615628 489977168 /nfs/dbraw/zinc/97/71/68/489977168.db2.gz MGSYMNGTUXZSSM-DOTOQJQBSA-N 2 0 368.522 0.545 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000477644979 489981221 /nfs/dbraw/zinc/98/12/21/489981221.db2.gz LXHKAISTCTXVBA-HNNXBMFYSA-N 2 0 355.479 0.346 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420467444 489981786 /nfs/dbraw/zinc/98/17/86/489981786.db2.gz SKJBJAIJZWXCBO-LLVKDONJSA-N 2 0 353.439 0.322 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420467445 489982057 /nfs/dbraw/zinc/98/20/57/489982057.db2.gz SKJBJAIJZWXCBO-NSHDSACASA-N 2 0 353.439 0.322 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000556083855 491293386 /nfs/dbraw/zinc/29/33/86/491293386.db2.gz GGDOITYVCNQBCB-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP COc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420630948 490003120 /nfs/dbraw/zinc/00/31/20/490003120.db2.gz FVXQEPZFEAABFE-HUUCEWRRSA-N 2 0 363.510 0.941 20 0 FCADRP C[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000436487952 490006802 /nfs/dbraw/zinc/00/68/02/490006802.db2.gz MAYGIHYQICQDAS-HNNXBMFYSA-N 2 0 351.499 0.450 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420801336 490022910 /nfs/dbraw/zinc/02/29/10/490022910.db2.gz KHHDBSMAQMNVLP-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420906015 490030580 /nfs/dbraw/zinc/03/05/80/490030580.db2.gz RKVUYKVGUWISCY-CVEARBPZSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973305 490034982 /nfs/dbraw/zinc/03/49/82/490034982.db2.gz YUWQNSPDXAHITC-CABCVRRESA-N 2 0 351.499 0.934 20 0 FCADRP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1C ZINC000443054840 490065103 /nfs/dbraw/zinc/06/51/03/490065103.db2.gz ALFXWQBJGBCPFD-CQSZACIVSA-N 2 0 368.503 0.902 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057656 490065756 /nfs/dbraw/zinc/06/57/56/490065756.db2.gz HOGDFECTHQADEB-STQMWFEESA-N 2 0 354.476 0.722 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479201606 490072956 /nfs/dbraw/zinc/07/29/56/490072956.db2.gz ISCWKVCHMTVVPL-IRXDYDNUSA-N 2 0 364.465 0.927 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815857 490089021 /nfs/dbraw/zinc/08/90/21/490089021.db2.gz YMWMXRBUPFWSED-HOTGVXAUSA-N 2 0 365.522 0.713 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000556174407 491300707 /nfs/dbraw/zinc/30/07/07/491300707.db2.gz KWOOOLDALSSJFU-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477572 490123713 /nfs/dbraw/zinc/12/37/13/490123713.db2.gz OVDHCNPHQVPREB-MRXNPFEDSA-N 2 0 353.511 0.570 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000479829409 490127037 /nfs/dbraw/zinc/12/70/37/490127037.db2.gz OTBDOKQWJDAGQE-QKPAOTATSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000520384988 490140599 /nfs/dbraw/zinc/14/05/99/490140599.db2.gz JBWGBEPXONGNNF-HUUCEWRRSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839719 490147472 /nfs/dbraw/zinc/14/74/72/490147472.db2.gz JJUXCQDMSIHEGR-PMPSAXMXSA-N 2 0 353.511 0.711 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000465863637 490149465 /nfs/dbraw/zinc/14/94/65/490149465.db2.gz HAPWUGVFEMKQHH-ZBFHGGJFSA-N 2 0 353.511 0.711 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556203931 491302777 /nfs/dbraw/zinc/30/27/77/491302777.db2.gz FFOSGDSHNRRMAD-KRWDZBQOSA-N 2 0 356.536 0.529 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000465869997 490149958 /nfs/dbraw/zinc/14/99/58/490149958.db2.gz HVEXOOUSWKEKKH-ROUUACIJSA-N 3 0 368.570 0.290 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000556205161 491302921 /nfs/dbraw/zinc/30/29/21/491302921.db2.gz HADBSVNZDLFUIH-RHSMWYFYSA-N 2 0 354.520 0.237 20 0 FCADRP CCC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000465930269 490152667 /nfs/dbraw/zinc/15/26/67/490152667.db2.gz MOFLWURTACUYNU-UHFFFAOYSA-N 2 0 369.554 0.550 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556206800 491303096 /nfs/dbraw/zinc/30/30/96/491303096.db2.gz NXILGLPPOASTRR-QAPCUYQASA-N 2 0 370.563 0.634 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947280 490155390 /nfs/dbraw/zinc/15/53/90/490155390.db2.gz GOAXCXGRZZLJBO-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000506937887 490156748 /nfs/dbraw/zinc/15/67/48/490156748.db2.gz BBKSFZPTUFKHLU-MRXNPFEDSA-N 2 0 356.511 0.753 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000556209120 491303496 /nfs/dbraw/zinc/30/34/96/491303496.db2.gz VPOZWHPAXKHBQE-CRAIPNDOSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012267 490167708 /nfs/dbraw/zinc/16/77/08/490167708.db2.gz UDVWRPDELLQQBF-AEFFLSMTSA-N 2 0 358.486 0.835 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000422126705 490178587 /nfs/dbraw/zinc/17/85/87/490178587.db2.gz XAJNSMJGACKGCZ-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507165027 490184408 /nfs/dbraw/zinc/18/44/08/490184408.db2.gz RSRRJLQWCHGXSF-ZDUSSCGKSA-N 2 0 354.414 0.806 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000520852551 490199613 /nfs/dbraw/zinc/19/96/13/490199613.db2.gz TUJWHAOBUIMUIG-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000571422256 491306879 /nfs/dbraw/zinc/30/68/79/491306879.db2.gz GHIZCXQCVSNCHU-INIZCTEOSA-N 2 0 362.518 0.920 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000546196796 490207319 /nfs/dbraw/zinc/20/73/19/490207319.db2.gz UMSAYBBKFIZBHE-UHFFFAOYSA-N 2 0 357.524 0.824 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000521007286 490214323 /nfs/dbraw/zinc/21/43/23/490214323.db2.gz RUMHPFIYCGLQPA-LJQANCHMSA-N 2 0 359.518 0.980 20 0 FCADRP CSCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000497918510 490232373 /nfs/dbraw/zinc/23/23/73/490232373.db2.gz HAQYVRZIDDKTHW-OAHLLOKOSA-N 2 0 366.535 0.575 20 0 FCADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521370749 490253023 /nfs/dbraw/zinc/25/30/23/490253023.db2.gz IFJPMTCZLPGZRI-NVXWUHKLSA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000521412807 490258600 /nfs/dbraw/zinc/25/86/00/490258600.db2.gz APQYNSLJVAPEOA-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000571534463 491313995 /nfs/dbraw/zinc/31/39/95/491313995.db2.gz HHFTWKHMTXUMRH-LJQANCHMSA-N 2 0 351.491 0.594 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000571548243 491314689 /nfs/dbraw/zinc/31/46/89/491314689.db2.gz QUGKPYXFJSZKDI-MRXNPFEDSA-N 2 0 370.538 0.650 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000447954359 490305021 /nfs/dbraw/zinc/30/50/21/490305021.db2.gz LFXAEDWCCBPJGL-LSDHHAIUSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483331384 490308804 /nfs/dbraw/zinc/30/88/04/490308804.db2.gz FUHZCZNQQCOMNA-IKGGRYGDSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897325 490308812 /nfs/dbraw/zinc/30/88/12/490308812.db2.gz BGJMKTBTVMGNDH-NVXWUHKLSA-N 2 0 361.490 0.476 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000483383384 490312059 /nfs/dbraw/zinc/31/20/59/490312059.db2.gz SJJWMACAPQGDLY-TWMKSMIVSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000483405681 490315494 /nfs/dbraw/zinc/31/54/94/490315494.db2.gz VVBGHCZUKLZDDF-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456083 490331419 /nfs/dbraw/zinc/33/14/19/490331419.db2.gz PWYKCDNQNYRKIL-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000408472946 490344726 /nfs/dbraw/zinc/34/47/26/490344726.db2.gz XXBKYNOBUUDNDL-QGZVFWFLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289281 490366787 /nfs/dbraw/zinc/36/67/87/490366787.db2.gz ANDOFEQBJDHTEC-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000498943334 490367310 /nfs/dbraw/zinc/36/73/10/490367310.db2.gz OJNSFPOEVXDUSS-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccoc1CC(N)=O ZINC000509067295 490386787 /nfs/dbraw/zinc/38/67/87/490386787.db2.gz GEODSYJVEMYSQB-AWEZNQCLSA-N 2 0 350.463 0.796 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571690907 491323239 /nfs/dbraw/zinc/32/32/39/491323239.db2.gz IRNLLSNHKCZQNP-MRXNPFEDSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000484161853 490391388 /nfs/dbraw/zinc/39/13/88/490391388.db2.gz MWEILJZGJMMXMV-NVXWUHKLSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000534718401 490402036 /nfs/dbraw/zinc/40/20/36/490402036.db2.gz XBBBMXCZJFNJDK-QGZVFWFLSA-N 2 0 365.522 0.809 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000468505285 490410051 /nfs/dbraw/zinc/41/00/51/490410051.db2.gz NKUXGKBSAKBTHA-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)N1CCN(Cc2ccsc2)CC1 ZINC000548076797 490416718 /nfs/dbraw/zinc/41/67/18/490416718.db2.gz JIMMYKBHVRBDLJ-QGZVFWFLSA-N 2 0 367.515 0.866 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000522974899 490423526 /nfs/dbraw/zinc/42/35/26/490423526.db2.gz FWQWTIGAPAEFFH-HZPDHXFCSA-N 2 0 365.522 0.890 20 0 FCADRP CC1[C@@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000449827027 490430595 /nfs/dbraw/zinc/43/05/95/490430595.db2.gz GXIBRWVQAMIRKY-WNRNVDISSA-N 2 0 360.502 0.482 20 0 FCADRP CC1[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449827025 490430824 /nfs/dbraw/zinc/43/08/24/490430824.db2.gz GXIBRWVQAMIRKY-BRSBDYLESA-N 2 0 360.502 0.482 20 0 FCADRP CC1[C@@H](C(=O)N(C)C[C@H]2CC[NH+](C)C2)[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000449849566 490432724 /nfs/dbraw/zinc/43/27/24/490432724.db2.gz NVIBVUDGTZUIQJ-WNRNVDISSA-N 2 0 364.534 0.689 20 0 FCADRP CS[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000484626381 490448990 /nfs/dbraw/zinc/44/89/90/490448990.db2.gz ITMYNYFYULIZIQ-IECFSIQFSA-N 2 0 357.564 0.968 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000509727505 490457682 /nfs/dbraw/zinc/45/76/82/490457682.db2.gz ZHPLIQKMIAMFDX-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000484718455 490459513 /nfs/dbraw/zinc/45/95/13/490459513.db2.gz YPSBMUYJZFFCAZ-HNNXBMFYSA-N 2 0 353.511 0.522 20 0 FCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000422758062 490471162 /nfs/dbraw/zinc/47/11/62/490471162.db2.gz KBWNEMJIYOXWKG-IAGOWNOFSA-N 2 0 350.507 0.955 20 0 FCADRP 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 ZINC000450517164 490471098 /nfs/dbraw/zinc/47/10/98/490471098.db2.gz DZLXKXGQCNLFCK-CWQOZTLDSA-N 2 0 364.534 0.689 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804352 491330385 /nfs/dbraw/zinc/33/03/85/491330385.db2.gz OMXZTDSTRXFUMH-DOTOQJQBSA-N 2 0 350.507 0.633 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422908317 490494049 /nfs/dbraw/zinc/49/40/49/490494049.db2.gz DDXYFUKADOPVDJ-IRXDYDNUSA-N 2 0 362.474 0.361 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000422936333 490502187 /nfs/dbraw/zinc/50/21/87/490502187.db2.gz BKTDKSFGSHPQNJ-KBPBESRZSA-N 2 0 361.508 0.321 20 0 FCADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856167 491331906 /nfs/dbraw/zinc/33/19/06/491331906.db2.gz VZHFUDKWIZBNJJ-MKXGPGLRSA-N 2 0 356.555 0.318 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000422965234 490506618 /nfs/dbraw/zinc/50/66/18/490506618.db2.gz OBAVRTXHPMJBMM-MRXNPFEDSA-N 3 0 354.539 0.923 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC[NH2+]CC1 ZINC000422964597 490506694 /nfs/dbraw/zinc/50/66/94/490506694.db2.gz IZFOXXXSIYGZII-UONOGXRCSA-N 2 0 361.508 0.321 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1=O ZINC000510407053 490513592 /nfs/dbraw/zinc/51/35/92/490513592.db2.gz OYHYNSKVZZJJRL-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCC[NH2+]CC3)c2)C1 ZINC000571864683 491333374 /nfs/dbraw/zinc/33/33/74/491333374.db2.gz GTKPFCAPIVXPNS-GOSISDBHSA-N 2 0 373.501 0.889 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423038584 490527390 /nfs/dbraw/zinc/52/73/90/490527390.db2.gz OMVSXZXVTIVCGL-GOSISDBHSA-N 2 0 358.486 0.931 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423054020 490530470 /nfs/dbraw/zinc/53/04/70/490530470.db2.gz BIJWTIIZPADESV-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063605 490534032 /nfs/dbraw/zinc/53/40/32/490534032.db2.gz WQSDPMSCCYFCIK-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423074525 490536683 /nfs/dbraw/zinc/53/66/83/490536683.db2.gz UXWSMTYKZSGLME-FHWLQOOXSA-N 2 0 370.497 0.787 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000571875536 491334417 /nfs/dbraw/zinc/33/44/17/491334417.db2.gz RMEBMALGEGFCDD-CABCVRRESA-N 2 0 353.463 0.279 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000571875537 491334572 /nfs/dbraw/zinc/33/45/72/491334572.db2.gz RMEBMALGEGFCDD-GJZGRUSLSA-N 2 0 353.463 0.279 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)CC1=O ZINC000524775070 490558864 /nfs/dbraw/zinc/55/88/64/490558864.db2.gz OPVKVPMXPHTFRL-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830065 490562529 /nfs/dbraw/zinc/56/25/29/490562529.db2.gz MTJOQLDZGABUSO-CVEARBPZSA-N 2 0 363.510 0.206 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000564913664 491336166 /nfs/dbraw/zinc/33/61/66/491336166.db2.gz RFCZCMHOWFMBDS-GDBMZVCRSA-N 2 0 364.515 0.945 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000524935787 490570632 /nfs/dbraw/zinc/57/06/32/490570632.db2.gz SCYFYRNBXKGOOH-UHFFFAOYSA-N 2 0 361.490 0.802 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000564922334 491337188 /nfs/dbraw/zinc/33/71/88/491337188.db2.gz WUVUREXOJKPDIG-QFBILLFUSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179862 490582908 /nfs/dbraw/zinc/58/29/08/490582908.db2.gz DXQZTOYAQKOTSC-XLIONFOSSA-N 2 0 360.502 0.376 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000571941752 491338911 /nfs/dbraw/zinc/33/89/11/491338911.db2.gz XVZPTKXLVYPBAW-TWMKSMIVSA-N 2 0 365.522 0.698 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635908 490627247 /nfs/dbraw/zinc/62/72/47/490627247.db2.gz GVRXVVFZFNJFMG-SJORKVTESA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640297 490629068 /nfs/dbraw/zinc/62/90/68/490629068.db2.gz OZRAZTRSCANDNO-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640273 490629919 /nfs/dbraw/zinc/62/99/19/490629919.db2.gz NKUWLUVWJFLSGX-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501648117 490630776 /nfs/dbraw/zinc/63/07/76/490630776.db2.gz XXWKQPOKLLTIBL-HNNXBMFYSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000525882486 490645401 /nfs/dbraw/zinc/64/54/01/490645401.db2.gz SXNWKHCYRKTXKT-UHFFFAOYSA-N 2 0 370.523 0.726 20 0 FCADRP CC(C)Oc1ncccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525882785 490645831 /nfs/dbraw/zinc/64/58/31/490645831.db2.gz DGJQECCQKUVTOT-UHFFFAOYSA-N 2 0 365.478 0.759 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000572001993 491342409 /nfs/dbraw/zinc/34/24/09/491342409.db2.gz XXCXOMRPEOQOAY-ZIAGYGMSSA-N 2 0 350.463 0.485 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000550327035 490660396 /nfs/dbraw/zinc/66/03/96/490660396.db2.gz AAONOXUWCAGXLS-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465089 490671670 /nfs/dbraw/zinc/67/16/70/490671670.db2.gz XNTNTBFPNILNOG-DOTOQJQBSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292996 490671988 /nfs/dbraw/zinc/67/19/88/490671988.db2.gz CRGQVXFQHUQGBJ-ZDUSSCGKSA-N 2 0 354.476 0.546 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000486813802 490673893 /nfs/dbraw/zinc/67/38/93/490673893.db2.gz RGILJOGEFVGLOK-OWCLPIDISA-N 2 0 359.536 0.542 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074328 490674753 /nfs/dbraw/zinc/67/47/53/490674753.db2.gz JPLRWXWHVAMVFE-CYBMUJFWSA-N 2 0 366.428 0.930 20 0 FCADRP CCO[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487012314 490687070 /nfs/dbraw/zinc/68/70/70/490687070.db2.gz AQNFHKSXGFNUNM-ZHCJQAHYSA-N 2 0 368.522 0.019 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000565032785 491347050 /nfs/dbraw/zinc/34/70/50/491347050.db2.gz QIXLDNVOOUTCLP-GASCZTMLSA-N 2 0 352.483 0.636 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000512844056 490700735 /nfs/dbraw/zinc/70/07/35/490700735.db2.gz GQGUPLMRWXVKCI-UHFFFAOYSA-N 2 0 367.538 0.114 20 0 FCADRP O=C1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1CCN1CCOCC1 ZINC000538158556 490716463 /nfs/dbraw/zinc/71/64/63/490716463.db2.gz GZAOMSVQRWZINZ-SFHVURJKSA-N 2 0 350.507 0.384 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487596798 490721061 /nfs/dbraw/zinc/72/10/61/490721061.db2.gz KJKZNZVYPYZBKE-DLBZAZTESA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000557014719 491349773 /nfs/dbraw/zinc/34/97/73/491349773.db2.gz OUGXLXDIAUEEHJ-HNNXBMFYSA-N 2 0 356.511 0.402 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000487839386 490732689 /nfs/dbraw/zinc/73/26/89/490732689.db2.gz JVVFZNFKCYKMBL-CQSZACIVSA-N 2 0 367.494 0.274 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CCCC2)CC1 ZINC000488074355 490745131 /nfs/dbraw/zinc/74/51/31/490745131.db2.gz ALUMPBWPVMRKEE-SFHVURJKSA-N 2 0 364.534 0.916 20 0 FCADRP Cc1cnc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000572157942 491352959 /nfs/dbraw/zinc/35/29/59/491352959.db2.gz RLYZXHLIJHQHJV-ZDUSSCGKSA-N 2 0 355.508 0.581 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC1CC[NH+](CC3CC3)CC1)CC[NH2+]CC2 ZINC000514597560 490773272 /nfs/dbraw/zinc/77/32/72/490773272.db2.gz YIXHLNIPZJRBCT-OAHLLOKOSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663240 490779207 /nfs/dbraw/zinc/77/92/07/490779207.db2.gz HZUGRZLEGQFEDN-HUUCEWRRSA-N 2 0 359.465 0.795 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)C[C@H](C)O1 ZINC000514668233 490779880 /nfs/dbraw/zinc/77/98/80/490779880.db2.gz AUPMNLOJJHTMDP-HZSPNIEDSA-N 2 0 371.428 0.754 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000514786263 490787907 /nfs/dbraw/zinc/78/79/07/490787907.db2.gz UKKXKBWCCAXKNV-UHFFFAOYSA-N 2 0 366.554 0.880 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132688 491356092 /nfs/dbraw/zinc/35/60/92/491356092.db2.gz CZKVXSVYSWLGST-VYDXJSESSA-N 2 0 350.507 0.822 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000514999366 490802108 /nfs/dbraw/zinc/80/21/08/490802108.db2.gz GFFBTTLITVXHPX-KRWDZBQOSA-N 2 0 365.522 0.668 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000540077867 490807559 /nfs/dbraw/zinc/80/75/59/490807559.db2.gz AXZATFDJTQZMSL-UHFFFAOYSA-N 2 0 358.450 0.599 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322858 490817197 /nfs/dbraw/zinc/81/71/97/490817197.db2.gz ZLDHBDILOZTPKJ-LMMKCTJWSA-N 2 0 356.555 0.414 20 0 FCADRP [NH3+][C@H]1C[C@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498639 490829044 /nfs/dbraw/zinc/82/90/44/490829044.db2.gz AEGQXLCOPCQNHN-BBRMVZONSA-N 2 0 356.426 0.307 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529323765 490852150 /nfs/dbraw/zinc/85/21/50/490852150.db2.gz FBPGCLUDAKLFIJ-QGZVFWFLSA-N 2 0 354.495 0.509 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000541210643 490855226 /nfs/dbraw/zinc/85/52/26/490855226.db2.gz AFAPQUJZWRFVJH-NVXWUHKLSA-N 2 0 369.506 0.613 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000541243390 490855903 /nfs/dbraw/zinc/85/59/03/490855903.db2.gz GSSYNPHEDIUMHB-GBESFXJTSA-N 2 0 366.550 0.972 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000572306513 491362004 /nfs/dbraw/zinc/36/20/04/491362004.db2.gz GDNIAWAKNYSEBR-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541663871 490868739 /nfs/dbraw/zinc/86/87/39/490868739.db2.gz FPULUDPIPHMXKG-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OCC2CC2)CC1 ZINC000517706093 490917104 /nfs/dbraw/zinc/91/71/04/490917104.db2.gz ZQQWIDPNZKFNMY-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000517895533 490924038 /nfs/dbraw/zinc/92/40/38/490924038.db2.gz VEKIUSLMHKTBRL-CABCVRRESA-N 2 0 360.458 0.763 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218830 490933745 /nfs/dbraw/zinc/93/37/45/490933745.db2.gz MXBKPAAWMIZOSD-YESZJQIVSA-N 2 0 365.522 0.696 20 0 FCADRP CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000531135252 490942693 /nfs/dbraw/zinc/94/26/93/490942693.db2.gz PYADYUKCCPBPSM-UHFFFAOYSA-N 2 0 362.521 0.222 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518738560 490949441 /nfs/dbraw/zinc/94/94/41/490949441.db2.gz ZVJIQKIYMVSCDD-SOUVJXGZSA-N 2 0 352.479 0.302 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000531394170 490955972 /nfs/dbraw/zinc/95/59/72/490955972.db2.gz DBHISMYAAIOWLE-GOSISDBHSA-N 2 0 367.538 0.378 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000519533051 490974510 /nfs/dbraw/zinc/97/45/10/490974510.db2.gz YRWVEAOAMPPERE-UONOGXRCSA-N 2 0 365.444 0.948 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000532119942 490988017 /nfs/dbraw/zinc/98/80/17/490988017.db2.gz FILYBLHJXVBOHO-UHFFFAOYSA-N 2 0 365.522 0.890 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000553956626 491166201 /nfs/dbraw/zinc/16/62/01/491166201.db2.gz KLFQDZXNIRPZKB-GJZGRUSLSA-N 2 0 368.522 0.591 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000569697515 491182834 /nfs/dbraw/zinc/18/28/34/491182834.db2.gz QJHDTWJIXWLPHP-CQSZACIVSA-N 2 0 370.461 0.429 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)C1CC1 ZINC000557380704 491370815 /nfs/dbraw/zinc/37/08/15/491370815.db2.gz IWXBHCFLTBJFMH-HNNXBMFYSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H]1[NH3+] ZINC000572467446 491372266 /nfs/dbraw/zinc/37/22/66/491372266.db2.gz SVYKOAOJZPRWGP-DFBGVHRSSA-N 2 0 352.866 0.865 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CSc2ccccc21 ZINC000557451239 491375329 /nfs/dbraw/zinc/37/53/29/491375329.db2.gz DBTVOASHGGYCLG-HNNXBMFYSA-N 2 0 364.515 0.901 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CSc2ccccc21 ZINC000557451240 491375563 /nfs/dbraw/zinc/37/55/63/491375563.db2.gz DBTVOASHGGYCLG-OAHLLOKOSA-N 2 0 364.515 0.901 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270755 493337624 /nfs/dbraw/zinc/33/76/24/493337624.db2.gz PMAMTGCFDQDNGE-WBVHZDCISA-N 2 0 359.474 0.529 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H]1c1ccccc1F ZINC000565475269 491378983 /nfs/dbraw/zinc/37/89/83/491378983.db2.gz ISLIZTGDYFYAKY-DUVNUKRYSA-N 2 0 358.421 0.909 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557554534 491382187 /nfs/dbraw/zinc/38/21/87/491382187.db2.gz MPDKFALJADESOM-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP COC[C@]1(CNC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CCC[NH2+]1 ZINC000565529346 491382217 /nfs/dbraw/zinc/38/22/17/491382217.db2.gz LUJWAZDTPMQHNM-GOSISDBHSA-N 2 0 363.462 0.690 20 0 FCADRP COc1cnc(NC[C@H]2CCC[N@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573480 491384361 /nfs/dbraw/zinc/38/43/61/491384361.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 2 0 362.522 0.836 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000572699728 491387377 /nfs/dbraw/zinc/38/73/77/491387377.db2.gz KJVVIKQDIVJWQG-KRWDZBQOSA-N 2 0 368.522 0.213 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000565610665 491388735 /nfs/dbraw/zinc/38/87/35/491388735.db2.gz XXPHKOLITBOPFF-OAHLLOKOSA-N 2 0 353.511 0.713 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]1CCCC1 ZINC000565671905 491392989 /nfs/dbraw/zinc/39/29/89/491392989.db2.gz RAEQQUOIMBSHHK-INIZCTEOSA-N 2 0 362.474 0.756 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572905893 491401045 /nfs/dbraw/zinc/40/10/45/491401045.db2.gz IRMVECHASKMSKB-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572976936 491404837 /nfs/dbraw/zinc/40/48/37/491404837.db2.gz PRMFLGYWPAQZTF-UHFFFAOYSA-N 2 0 361.490 0.712 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000668362259 493340678 /nfs/dbraw/zinc/34/06/78/493340678.db2.gz UOXBALAHXCIOGZ-UHFFFAOYSA-N 2 0 373.501 0.620 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000573022997 491408077 /nfs/dbraw/zinc/40/80/77/491408077.db2.gz MOMSEZDDIMRNMM-ROUUACIJSA-N 2 0 373.501 0.982 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000558007562 491408384 /nfs/dbraw/zinc/40/83/84/491408384.db2.gz VMNSCNPNWMLDAA-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@H](C)O1 ZINC000566157420 491421283 /nfs/dbraw/zinc/42/12/83/491421283.db2.gz HATKDFNNFZBLQB-GASCZTMLSA-N 2 0 364.494 0.588 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc(CN2CCOCC2)c1 ZINC000566171684 491422342 /nfs/dbraw/zinc/42/23/42/491422342.db2.gz KBHDLECVVNXHHS-QGZVFWFLSA-N 2 0 360.458 0.003 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000566179273 491423391 /nfs/dbraw/zinc/42/33/91/491423391.db2.gz BOXNFTUBQRGAJK-INIZCTEOSA-N 2 0 366.506 0.396 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000566189321 491423975 /nfs/dbraw/zinc/42/39/75/491423975.db2.gz CTTLTLJESRQOLK-UHFFFAOYSA-N 2 0 361.490 0.841 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000566197813 491425077 /nfs/dbraw/zinc/42/50/77/491425077.db2.gz QOWUUZHDOYMKSI-QZTJIDSGSA-N 2 0 374.485 0.262 20 0 FCADRP NC(=O)[C@@H]1CC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000566207538 491425978 /nfs/dbraw/zinc/42/59/78/491425978.db2.gz GRVZNTLBDDZPLJ-HOTGVXAUSA-N 2 0 360.458 0.129 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000558359725 491426980 /nfs/dbraw/zinc/42/69/80/491426980.db2.gz ITEPIPMGFLXVPD-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000573490345 491436875 /nfs/dbraw/zinc/43/68/75/491436875.db2.gz MLMOGFOPYJKYGG-KBPBESRZSA-N 2 0 352.454 0.958 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000566413886 491442044 /nfs/dbraw/zinc/44/20/44/491442044.db2.gz KXRLXGGYENPWFG-OAHLLOKOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000566673246 491459205 /nfs/dbraw/zinc/45/92/05/491459205.db2.gz FKFCRIVFRYPJBE-LZWOXQAQSA-N 2 0 351.447 0.110 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nccs1 ZINC000573879280 491460755 /nfs/dbraw/zinc/46/07/55/491460755.db2.gz SESQTRZRAOEVTH-ZDUSSCGKSA-N 2 0 355.508 0.315 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000566751490 491464517 /nfs/dbraw/zinc/46/45/17/491464517.db2.gz UBOMBHLHWLOLEN-ZMSDIMECSA-N 2 0 366.506 0.201 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000566795205 491467613 /nfs/dbraw/zinc/46/76/13/491467613.db2.gz DEZGVHIHOIXHGD-INIZCTEOSA-N 2 0 362.449 0.586 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441098 491473453 /nfs/dbraw/zinc/47/34/53/491473453.db2.gz KDULEBHLMVSJLD-WBVHZDCISA-N 2 0 366.506 0.060 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000566962900 491477098 /nfs/dbraw/zinc/47/70/98/491477098.db2.gz BLQTVFZINJLONF-OAHLLOKOSA-N 2 0 351.495 0.324 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000559564000 491481746 /nfs/dbraw/zinc/48/17/46/491481746.db2.gz APQVSDDCYPMMMH-MRXNPFEDSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2cnccc2C)CC1 ZINC000567138325 491488110 /nfs/dbraw/zinc/48/81/10/491488110.db2.gz LCHINVKLWTYULE-UHFFFAOYSA-N 2 0 361.490 0.887 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000574347322 491490926 /nfs/dbraw/zinc/49/09/26/491490926.db2.gz WPUDMGMSYPOTEI-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000559761063 491496800 /nfs/dbraw/zinc/49/68/00/491496800.db2.gz ZOKORNGULDFLBV-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000574451402 491497899 /nfs/dbraw/zinc/49/78/99/491497899.db2.gz NYDJNMVFIBBZEE-HUUCEWRRSA-N 2 0 356.392 0.826 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000559866851 491506374 /nfs/dbraw/zinc/50/63/74/491506374.db2.gz GDSVPDMMPKYRNT-KBXCAEBGSA-N 2 0 370.563 0.777 20 0 FCADRP Cn1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000567470221 491508270 /nfs/dbraw/zinc/50/82/70/491508270.db2.gz VECIEVWXGAMJJU-UHFFFAOYSA-N 2 0 355.442 0.504 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C1 ZINC000567480137 491508608 /nfs/dbraw/zinc/50/86/08/491508608.db2.gz BUXVTPGKJWOVQD-HUUCEWRRSA-N 2 0 358.486 0.869 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529276 491512084 /nfs/dbraw/zinc/51/20/84/491512084.db2.gz LXHLNYATNWMCSX-MAUKXSAKSA-N 2 0 370.563 0.778 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000560016989 491515393 /nfs/dbraw/zinc/51/53/93/491515393.db2.gz UEJKTOIYZAHOHB-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000683378092 493348252 /nfs/dbraw/zinc/34/82/52/493348252.db2.gz BOVISIRGHKVPFG-MRXNPFEDSA-N 2 0 356.511 0.897 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000574907352 491527087 /nfs/dbraw/zinc/52/70/87/491527087.db2.gz ZDZVHOXWHNJZGX-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567754802 491527308 /nfs/dbraw/zinc/52/73/08/491527308.db2.gz SHKWRLLVQKURMR-MSOLQXFVSA-N 2 0 360.502 0.861 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981661 491531311 /nfs/dbraw/zinc/53/13/11/491531311.db2.gz YSUAGEOGXLKQGO-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000575122482 491540678 /nfs/dbraw/zinc/54/06/78/491540678.db2.gz RWIYQFLMJZBTJY-FAFZWHIHSA-N 2 0 364.534 0.962 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000560637454 491548010 /nfs/dbraw/zinc/54/80/10/491548010.db2.gz AIXZSGNJRXFWMC-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000560669145 491551402 /nfs/dbraw/zinc/55/14/02/491551402.db2.gz JRIQJRIOYXSKQH-ZDUSSCGKSA-N 2 0 352.454 0.960 20 0 FCADRP O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000568161197 491556198 /nfs/dbraw/zinc/55/61/98/491556198.db2.gz YRQKJOHDDWZRBW-LSDHHAIUSA-N 2 0 350.850 0.191 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000575733576 491556855 /nfs/dbraw/zinc/55/68/55/491556855.db2.gz CGLNKSGWBQAHLN-KRWDZBQOSA-N 2 0 363.506 0.492 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000560939941 491566330 /nfs/dbraw/zinc/56/63/30/491566330.db2.gz RIJDLPIMIATJRG-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575902759 491569123 /nfs/dbraw/zinc/56/91/23/491569123.db2.gz XNFOGCLDJMDKDJ-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000575987995 491574472 /nfs/dbraw/zinc/57/44/72/491574472.db2.gz XEAOLQYSNFZVKL-AMVTXUCVSA-N 2 0 350.507 0.775 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000561116317 491575393 /nfs/dbraw/zinc/57/53/93/491575393.db2.gz UQDCCPCJSBOPLX-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCO1 ZINC000576027014 491576998 /nfs/dbraw/zinc/57/69/98/491576998.db2.gz IJTPNSXZNVZNRD-HZPDHXFCSA-N 2 0 352.479 0.040 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000561176692 491580438 /nfs/dbraw/zinc/58/04/38/491580438.db2.gz WOPZRNCEWUERGN-GJZGRUSLSA-N 2 0 366.506 0.297 20 0 FCADRP [NH3+][C@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000561181727 491580805 /nfs/dbraw/zinc/58/08/05/491580805.db2.gz OVNXYCPONPXGQR-MSOLQXFVSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000561194659 491581860 /nfs/dbraw/zinc/58/18/60/491581860.db2.gz RLHOTLZVVCGHDH-OAHLLOKOSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000577071253 491585988 /nfs/dbraw/zinc/58/59/88/491585988.db2.gz IBBULMCXPAUAKL-HDICACEKSA-N 2 0 362.518 0.875 20 0 FCADRP C[NH2+]CC1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000577106077 491590033 /nfs/dbraw/zinc/59/00/33/491590033.db2.gz DJFZFUBDNHVTHW-UHFFFAOYSA-N 2 0 357.524 0.682 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000568610190 491591646 /nfs/dbraw/zinc/59/16/46/491591646.db2.gz QEONTCWXEBSTHU-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000660470023 493353672 /nfs/dbraw/zinc/35/36/72/493353672.db2.gz JBLYEXIXCNRQBB-IPMKNSEASA-N 2 0 370.497 0.882 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635269 491595455 /nfs/dbraw/zinc/59/54/55/491595455.db2.gz XAMGTQYKADOESZ-GPMSIDNRSA-N 2 0 366.506 0.204 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000568667176 491598535 /nfs/dbraw/zinc/59/85/35/491598535.db2.gz SYNXGRQXQWPFTH-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C[C@H](C)O1 ZINC000576330393 491605031 /nfs/dbraw/zinc/60/50/31/491605031.db2.gz MZGIZAUERARXOX-SOLBZPMBSA-N 2 0 367.538 0.421 20 0 FCADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000568740844 491605355 /nfs/dbraw/zinc/60/53/55/491605355.db2.gz ZSFUASKIVCYYNE-ZDUSSCGKSA-N 2 0 354.476 0.033 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000568906557 491618557 /nfs/dbraw/zinc/61/85/57/491618557.db2.gz DZFIQFYEQODPBZ-GOSISDBHSA-N 2 0 370.497 0.904 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000576599934 491628380 /nfs/dbraw/zinc/62/83/80/491628380.db2.gz QATSXGNYXZBCOP-AEFFLSMTSA-N 2 0 360.502 0.734 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000576599935 491628689 /nfs/dbraw/zinc/62/86/89/491628689.db2.gz QATSXGNYXZBCOP-FUHWJXTLSA-N 2 0 360.502 0.734 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000569049133 491630240 /nfs/dbraw/zinc/63/02/40/491630240.db2.gz YDXYKDCLFMDDNT-DLBZAZTESA-N 2 0 366.506 0.081 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000577540766 491631020 /nfs/dbraw/zinc/63/10/20/491631020.db2.gz NZBBQDVEHJUOBO-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687306 491635882 /nfs/dbraw/zinc/63/58/82/491635882.db2.gz NPHFXSAZPSYAQL-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000576729939 491640522 /nfs/dbraw/zinc/64/05/22/491640522.db2.gz MYLKIZYDBZKTRM-NVXWUHKLSA-N 2 0 359.474 0.380 20 0 FCADRP C[C@H](NC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000576790057 491645077 /nfs/dbraw/zinc/64/50/77/491645077.db2.gz RRLFXWQTCNYXLT-HNNXBMFYSA-N 2 0 366.506 0.322 20 0 FCADRP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CN(C)CCN2C)cc1 ZINC000577742236 491647823 /nfs/dbraw/zinc/64/78/23/491647823.db2.gz FWPWLOARTBTHGL-RTBURBONSA-N 2 0 363.502 0.783 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@@H]2CC[C@@H](C)C2)C1 ZINC000562038153 491650299 /nfs/dbraw/zinc/65/02/99/491650299.db2.gz LLDABTCZUGDYGA-KZNAEPCWSA-N 2 0 355.523 0.942 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000569344322 491654430 /nfs/dbraw/zinc/65/44/30/491654430.db2.gz FPTUQPJUGYUYAC-SJORKVTESA-N 2 0 359.474 0.183 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000576927670 491657296 /nfs/dbraw/zinc/65/72/96/491657296.db2.gz LLPSYHNGAUDOGQ-UHFFFAOYSA-N 2 0 361.490 0.759 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000569457896 491662640 /nfs/dbraw/zinc/66/26/40/491662640.db2.gz QIFOLFIQRAHGQL-SFHVURJKSA-N 2 0 374.485 0.332 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)N1CC[NH2+]CC1 ZINC000576989221 491662678 /nfs/dbraw/zinc/66/26/78/491662678.db2.gz VHKFZSCTAYRKQV-MRXNPFEDSA-N 2 0 372.535 0.135 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000578066770 491669080 /nfs/dbraw/zinc/66/90/80/491669080.db2.gz FNBKVPDUPMMQBM-KRWDZBQOSA-N 2 0 362.474 0.502 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000578095636 491669921 /nfs/dbraw/zinc/66/99/21/491669921.db2.gz YAMIZPNQHXKQHX-DLBZAZTESA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000578156897 491670974 /nfs/dbraw/zinc/67/09/74/491670974.db2.gz GKWYQRRLEPBHKG-ARFHVFGLSA-N 2 0 368.522 0.258 20 0 FCADRP COC(=O)c1ccc(N2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC000578359726 491675624 /nfs/dbraw/zinc/67/56/24/491675624.db2.gz ZTGOMPSCKKXOFY-MRXNPFEDSA-N 2 0 374.485 0.806 20 0 FCADRP COC(=O)c1ccc(N2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC000578359725 491675691 /nfs/dbraw/zinc/67/56/91/491675691.db2.gz ZTGOMPSCKKXOFY-INIZCTEOSA-N 2 0 374.485 0.806 20 0 FCADRP C[N@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCSC1 ZINC000578734057 491683216 /nfs/dbraw/zinc/68/32/16/491683216.db2.gz HTYKMZZVELXAAO-OAHLLOKOSA-N 2 0 356.536 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C[C@@H]1[NH3+] ZINC000578738655 491683293 /nfs/dbraw/zinc/68/32/93/491683293.db2.gz JTFDGMJRVSZZOQ-MMOPVJDHSA-N 2 0 370.497 0.917 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000578914709 491687002 /nfs/dbraw/zinc/68/70/02/491687002.db2.gz JKRGXWKIGQRJRC-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000579121063 491691457 /nfs/dbraw/zinc/69/14/57/491691457.db2.gz COOFKFUSSZRIAG-UHFFFAOYSA-N 2 0 356.434 0.260 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000579138012 491691894 /nfs/dbraw/zinc/69/18/94/491691894.db2.gz LKPLIZRRWLKVAV-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253188 491694184 /nfs/dbraw/zinc/69/41/84/491694184.db2.gz LBXLKBHFWXAPSQ-CJNGLKHVSA-N 2 0 367.453 0.296 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000579265570 491694469 /nfs/dbraw/zinc/69/44/69/491694469.db2.gz DIYBJCRJCASCFH-BRWVUGGUSA-N 2 0 366.506 0.202 20 0 FCADRP CS[C@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000579391861 491697123 /nfs/dbraw/zinc/69/71/23/491697123.db2.gz IDPSKMJEBMDFLJ-GJZGRUSLSA-N 2 0 358.552 0.729 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000579572921 491700730 /nfs/dbraw/zinc/70/07/30/491700730.db2.gz HGMDXVHIDBJBPR-SJORKVTESA-N 2 0 367.538 0.105 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855915 491706910 /nfs/dbraw/zinc/70/69/10/491706910.db2.gz HEYNJGDMMLGCCQ-ROUUACIJSA-N 2 0 352.523 0.580 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584793676 491714861 /nfs/dbraw/zinc/71/48/61/491714861.db2.gz RLQLKXCOAZFZOH-BGTYHANMSA-N 2 0 371.485 0.460 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000580327484 491726272 /nfs/dbraw/zinc/72/62/72/491726272.db2.gz OCUGMYQRHUOPHO-DLBZAZTESA-N 2 0 351.447 0.431 20 0 FCADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000580449861 491731763 /nfs/dbraw/zinc/73/17/63/491731763.db2.gz DFGMLIAXVHNYIO-GOSISDBHSA-N 2 0 373.501 0.415 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587100108 491734858 /nfs/dbraw/zinc/73/48/58/491734858.db2.gz OUUYWZDMRJSAAG-IKGGRYGDSA-N 2 0 365.522 0.855 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C)C[NH2+]1 ZINC000580541332 491735318 /nfs/dbraw/zinc/73/53/18/491735318.db2.gz JBSFDQKPNAISGG-CABCVRRESA-N 2 0 368.547 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C)C[NH2+]1 ZINC000580541334 491735349 /nfs/dbraw/zinc/73/53/49/491735349.db2.gz JBSFDQKPNAISGG-HUUCEWRRSA-N 2 0 368.547 0.673 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000580559629 491736112 /nfs/dbraw/zinc/73/61/12/491736112.db2.gz SGYGXBQBIRDLDA-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000580821985 491747214 /nfs/dbraw/zinc/74/72/14/491747214.db2.gz QPTIJDVUTCCNPO-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP COC1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000580835725 491748130 /nfs/dbraw/zinc/74/81/30/491748130.db2.gz MEXINOGGHNKTBH-UHFFFAOYSA-N 2 0 362.474 0.678 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000581205579 491764185 /nfs/dbraw/zinc/76/41/85/491764185.db2.gz CBLCBIVRPJGYFY-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000581245807 491765787 /nfs/dbraw/zinc/76/57/87/491765787.db2.gz ZIQMLTXQWVLLCS-HNNXBMFYSA-N 2 0 372.469 0.863 20 0 FCADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000590751317 491785366 /nfs/dbraw/zinc/78/53/66/491785366.db2.gz PCCLRRRSOBWZJV-OAGGEKHMSA-N 2 0 355.479 0.391 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000581747634 491785403 /nfs/dbraw/zinc/78/54/03/491785403.db2.gz SGSIWOJQWDHGTM-XHSDSOJGSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C2)CC1 ZINC000582116416 491798549 /nfs/dbraw/zinc/79/85/49/491798549.db2.gz HVNYHLZVBPABCT-XMTFNYHQSA-N 2 0 362.518 0.763 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000582120169 491798784 /nfs/dbraw/zinc/79/87/84/491798784.db2.gz IUALVHKAHDZYCS-OAHLLOKOSA-N 2 0 352.479 0.006 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)S(C)(=O)=O ZINC000582122845 491798844 /nfs/dbraw/zinc/79/88/44/491798844.db2.gz GVTQKLFVFAVPKU-HRCADAONSA-N 2 0 374.551 0.222 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000582242320 491804038 /nfs/dbraw/zinc/80/40/38/491804038.db2.gz YQYQFZZESQNOOE-DLBZAZTESA-N 2 0 354.458 0.996 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000582312684 491807177 /nfs/dbraw/zinc/80/71/77/491807177.db2.gz GZLUQTTWXWBJNP-QGZVFWFLSA-N 2 0 358.486 0.759 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000591568956 491808854 /nfs/dbraw/zinc/80/88/54/491808854.db2.gz ORQKGWGNLLNROH-CYBMUJFWSA-N 2 0 363.524 0.615 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582484947 491814465 /nfs/dbraw/zinc/81/44/65/491814465.db2.gz VJEQLHMTMHHRMT-OAHLLOKOSA-N 2 0 352.479 0.006 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000582547296 491817377 /nfs/dbraw/zinc/81/73/77/491817377.db2.gz AZKAGHHIYANVNB-ABSDTBQOSA-N 2 0 371.485 0.607 20 0 FCADRP C[NH+]1CC[C@H](C(=O)N[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)Cc2ccccc2)C1 ZINC000582681548 491822495 /nfs/dbraw/zinc/82/24/95/491822495.db2.gz AYCDAYGQZAASJW-GBESFXJTSA-N 2 0 372.513 0.734 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC000582739147 491824691 /nfs/dbraw/zinc/82/46/91/491824691.db2.gz SLMCBLPQFVTFOP-BBWFWOEESA-N 2 0 366.506 0.299 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000582779606 491826226 /nfs/dbraw/zinc/82/62/26/491826226.db2.gz DNJRJBAWFXYZSY-XDNAFOTISA-N 2 0 356.470 0.492 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583312705 491842126 /nfs/dbraw/zinc/84/21/26/491842126.db2.gz JAEMYCKLIFQAGD-UIBIWLFHSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000583371990 491843406 /nfs/dbraw/zinc/84/34/06/491843406.db2.gz WTIBLHPRWSSTIB-WBVHZDCISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467616 491845494 /nfs/dbraw/zinc/84/54/94/491845494.db2.gz JLLVJOMCZZQANO-DOTOQJQBSA-N 2 0 362.518 0.943 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000583771514 491851770 /nfs/dbraw/zinc/85/17/70/491851770.db2.gz KUVZSTLYULEWDO-BRWVUGGUSA-N 2 0 356.511 0.440 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583962858 491855537 /nfs/dbraw/zinc/85/55/37/491855537.db2.gz KIUWOCUXISFRCG-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000584349042 491863554 /nfs/dbraw/zinc/86/35/54/491863554.db2.gz YYPLTPMSSWXXCL-YKTARERQSA-N 2 0 353.507 0.728 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881722 491871010 /nfs/dbraw/zinc/87/10/10/491871010.db2.gz GWKYYCKEALDNJF-GVDBMIGSSA-N 2 0 357.458 0.064 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594988523 491875400 /nfs/dbraw/zinc/87/54/00/491875400.db2.gz OLCTZJJBZCHXQR-DLBZAZTESA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)CCOCC[NH3+] ZINC000600734572 491879754 /nfs/dbraw/zinc/87/97/54/491879754.db2.gz HJKZKMRIHYKHSP-GFCCVEGCSA-N 2 0 366.418 0.402 20 0 FCADRP c1cc2n(n1)C[C@@H](C[NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CN2 ZINC000595145637 491889581 /nfs/dbraw/zinc/88/95/81/491889581.db2.gz MNZSRVXJEFPJMI-KRWDZBQOSA-N 2 0 370.505 0.907 20 0 FCADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000595297618 491913975 /nfs/dbraw/zinc/91/39/75/491913975.db2.gz HXXNHKITNKDNLI-QGZVFWFLSA-N 2 0 367.490 0.585 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612444576 491917969 /nfs/dbraw/zinc/91/79/69/491917969.db2.gz NRFKEZJKGLGXJS-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000612485282 491924805 /nfs/dbraw/zinc/92/48/05/491924805.db2.gz HWPLVZJVJDECQJ-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000612777505 491950089 /nfs/dbraw/zinc/95/00/89/491950089.db2.gz KNFSUTVRRYHDEO-QZTJIDSGSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612776356 491950329 /nfs/dbraw/zinc/95/03/29/491950329.db2.gz KFXFELJQNITOQS-KRWDZBQOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@]1(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000612874247 491956597 /nfs/dbraw/zinc/95/65/97/491956597.db2.gz CFXCNAWAODBFIL-SFHVURJKSA-N 2 0 361.494 0.430 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[NH+](C)C ZINC000612908816 491958255 /nfs/dbraw/zinc/95/82/55/491958255.db2.gz PLCJUQYEFYTNJJ-LSDHHAIUSA-N 2 0 363.510 0.658 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000602121942 491962013 /nfs/dbraw/zinc/96/20/13/491962013.db2.gz PZWMBPSRTMUTHN-GOSISDBHSA-N 2 0 366.550 0.972 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000595966484 491966425 /nfs/dbraw/zinc/96/64/25/491966425.db2.gz HHCINSWSKJRTPU-KCPJHIHWSA-N 2 0 355.385 0.807 20 0 FCADRP COCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000602255423 491973469 /nfs/dbraw/zinc/97/34/69/491973469.db2.gz DMJCRVHJVHHZJP-UHFFFAOYSA-N 2 0 357.520 0.989 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506784 491990421 /nfs/dbraw/zinc/99/04/21/491990421.db2.gz PKKWJWROHMUDCQ-HKUYNNGSSA-N 2 0 360.502 0.803 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000597430358 492037869 /nfs/dbraw/zinc/03/78/69/492037869.db2.gz KCIVEHUZGHYGFC-OAHLLOKOSA-N 2 0 353.511 0.570 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604634309 492065190 /nfs/dbraw/zinc/06/51/90/492065190.db2.gz PQLDBGLBCUVZGK-QGZVFWFLSA-N 2 0 353.511 0.178 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000604639970 492065475 /nfs/dbraw/zinc/06/54/75/492065475.db2.gz DBZKWEVYJOQOSE-FGTMMUONSA-N 2 0 365.522 0.319 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646636 492065637 /nfs/dbraw/zinc/06/56/37/492065637.db2.gz CRQPPDOAWMVGOJ-ZWKOTPCHSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691938 492126510 /nfs/dbraw/zinc/12/65/10/492126510.db2.gz DOUJGETYRIGDFE-AEFFLSMTSA-N 2 0 367.538 0.422 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000606705024 492127686 /nfs/dbraw/zinc/12/76/86/492127686.db2.gz QSIKATYQYZWJQA-QGZVFWFLSA-N 2 0 354.495 0.461 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000608690874 492187123 /nfs/dbraw/zinc/18/71/23/492187123.db2.gz OXAVQUTWGURNNA-MRXNPFEDSA-N 2 0 365.522 0.844 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618308246 492222003 /nfs/dbraw/zinc/22/20/03/492222003.db2.gz CLOUPBFLXPAGEA-SFHVURJKSA-N 2 0 360.502 0.987 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627428670 492291825 /nfs/dbraw/zinc/29/18/25/492291825.db2.gz LKFCOTDINPSOGP-FRRDWIJNSA-N 2 0 364.412 0.573 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000654407780 492299444 /nfs/dbraw/zinc/29/94/44/492299444.db2.gz SRHIWJNEUITZOD-KRWDZBQOSA-N 2 0 354.564 0.910 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785238 492304943 /nfs/dbraw/zinc/30/49/43/492304943.db2.gz ZHUWFWFLMMLVKY-ROUUACIJSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785220 492305486 /nfs/dbraw/zinc/30/54/86/492305486.db2.gz YUMIIQGBSVMXNS-SJORKVTESA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C)CN1Cc1ccccc1 ZINC000627473968 492311373 /nfs/dbraw/zinc/31/13/73/492311373.db2.gz ARIRBWOBARQSQH-JFIYKMOQSA-N 2 0 374.485 0.212 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000627475471 492314090 /nfs/dbraw/zinc/31/40/90/492314090.db2.gz NLIRVYAMTHKAPP-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)CC1 ZINC000627483464 492317933 /nfs/dbraw/zinc/31/79/33/492317933.db2.gz GGUJAFLTQWXQMD-JCCCHCCOSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841189 492318650 /nfs/dbraw/zinc/31/86/50/492318650.db2.gz NWLCOWCXSYZNPN-KURKYZTESA-N 2 0 365.522 0.129 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[NH+]1CCCC1 ZINC000642092867 492333084 /nfs/dbraw/zinc/33/30/84/492333084.db2.gz REYABRQSTDSUHQ-QGZVFWFLSA-N 2 0 374.485 0.817 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000642190954 492339932 /nfs/dbraw/zinc/33/99/32/492339932.db2.gz WVQJYRWJEUFPNP-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@@H]1[NH3+] ZINC000642222676 492342446 /nfs/dbraw/zinc/34/24/46/492342446.db2.gz SYXPNAHJAOIUJN-PMPSAXMXSA-N 2 0 354.495 0.045 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCCCCC1 ZINC000642220478 492342705 /nfs/dbraw/zinc/34/27/05/492342705.db2.gz IHFSWWSSFWJNST-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000642236406 492343095 /nfs/dbraw/zinc/34/30/95/492343095.db2.gz KYASBULBGXKTNI-LLDVTBCESA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)([NH+](C)C)C1 ZINC000642236438 492343493 /nfs/dbraw/zinc/34/34/93/492343493.db2.gz RCFULGHRHIPZIW-NNFUDEMPSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000642253990 492345958 /nfs/dbraw/zinc/34/59/58/492345958.db2.gz VGJFDMLKZLBTFB-BPQIPLTHSA-N 2 0 358.486 0.820 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642257988 492346985 /nfs/dbraw/zinc/34/69/85/492346985.db2.gz SMKTXFZPGFZQBP-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642330580 492352150 /nfs/dbraw/zinc/35/21/50/492352150.db2.gz XMEWSCHSTRGIKX-QEOTZNIISA-N 2 0 350.507 0.679 20 0 FCADRP CN1C(=O)N[C@]2(CCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357323 /nfs/dbraw/zinc/35/73/23/492357323.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 0 358.442 0.250 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437827 492357646 /nfs/dbraw/zinc/35/76/46/492357646.db2.gz CHZONMKWGHDVQK-RISCZKNCSA-N 2 0 372.391 0.859 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437825 492358029 /nfs/dbraw/zinc/35/80/29/492358029.db2.gz CHZONMKWGHDVQK-FZMZJTMJSA-N 2 0 372.391 0.859 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793347 492362614 /nfs/dbraw/zinc/36/26/14/492362614.db2.gz USBHJARTNUUKBZ-BHYGNILZSA-N 2 0 367.515 0.777 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cccc3c2CC[NH2+]C3)nn1 ZINC000647802659 492362797 /nfs/dbraw/zinc/36/27/97/492362797.db2.gz SAYVJFNEQVWJHC-WMLDXEAASA-N 2 0 356.430 0.264 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640705 492369285 /nfs/dbraw/zinc/36/92/85/492369285.db2.gz KLICKWHVAFIYSK-GUDVDZBRSA-N 2 0 370.497 0.739 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000642648081 492370312 /nfs/dbraw/zinc/37/03/12/492370312.db2.gz MERNRWWDLXVEAQ-BHYGNILZSA-N 2 0 366.506 0.474 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000642683312 492372854 /nfs/dbraw/zinc/37/28/54/492372854.db2.gz RTOVKCNICKEPIV-UHFFFAOYSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699639 492375930 /nfs/dbraw/zinc/37/59/30/492375930.db2.gz DMQXSWORQAGIPB-CRAIPNDOSA-N 2 0 358.486 0.881 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000647909568 492382131 /nfs/dbraw/zinc/38/21/31/492382131.db2.gz XTUFTZUGNHJMOC-UHFFFAOYSA-N 2 0 359.536 0.768 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000654945765 492382472 /nfs/dbraw/zinc/38/24/72/492382472.db2.gz DRDVNGVPEHBARI-HZPDHXFCSA-N 2 0 362.478 0.516 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642732921 492382696 /nfs/dbraw/zinc/38/26/96/492382696.db2.gz CLJZKHDRVBCNGP-PKOBYXMFSA-N 2 0 370.497 0.761 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000654947962 492383707 /nfs/dbraw/zinc/38/37/07/492383707.db2.gz XDHIXLRJUIBUCS-GJZGRUSLSA-N 2 0 362.478 0.516 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750873 492384885 /nfs/dbraw/zinc/38/48/85/492384885.db2.gz HDXFYEBYGVEPOY-VVLHAWIVSA-N 2 0 368.522 0.435 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642759555 492386545 /nfs/dbraw/zinc/38/65/45/492386545.db2.gz PYQHUJWZPDXYQT-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759535 492386593 /nfs/dbraw/zinc/38/65/93/492386593.db2.gz LLLDPJOXRNLFHO-DOTOQJQBSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642759553 492387093 /nfs/dbraw/zinc/38/70/93/492387093.db2.gz OLTITRPAYABPDB-YSHGAJCASA-N 2 0 370.497 0.834 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975856 492389375 /nfs/dbraw/zinc/38/93/75/492389375.db2.gz GXWNFOMBLPUSIA-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975859 492389663 /nfs/dbraw/zinc/38/96/63/492389663.db2.gz GXWNFOMBLPUSIA-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977331 492390606 /nfs/dbraw/zinc/39/06/06/492390606.db2.gz AAABHPVMUQXVSN-LSDHHAIUSA-N 2 0 355.508 0.410 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000642793283 492393262 /nfs/dbraw/zinc/39/32/62/492393262.db2.gz LRNVXINPLBQURA-HNNXBMFYSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H](C)[NH2+]1 ZINC000642793261 492393591 /nfs/dbraw/zinc/39/35/91/492393591.db2.gz BBZZGMCVJRRBPQ-HUUCEWRRSA-N 2 0 368.547 0.673 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000642798906 492395104 /nfs/dbraw/zinc/39/51/04/492395104.db2.gz RUJFFOVZCHZTFV-BVBHFADKSA-N 2 0 370.497 0.976 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000642800059 492395870 /nfs/dbraw/zinc/39/58/70/492395870.db2.gz JOOKZNMSJVKYJX-QZTJIDSGSA-N 2 0 360.502 0.993 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000642800056 492395887 /nfs/dbraw/zinc/39/58/87/492395887.db2.gz IPTFGZZXLSNWLD-ROUUACIJSA-N 2 0 358.486 0.617 20 0 FCADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000621642618 492399161 /nfs/dbraw/zinc/39/91/61/492399161.db2.gz RJMSTZRDYWXWRE-IKGGRYGDSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000642902140 492399208 /nfs/dbraw/zinc/39/92/08/492399208.db2.gz LCFKLKGPOQSBTC-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902297 492399261 /nfs/dbraw/zinc/39/92/61/492399261.db2.gz OYJYOMUMBGLMNP-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000642906576 492400621 /nfs/dbraw/zinc/40/06/21/492400621.db2.gz SSOOOPLOHRDSEH-CGZBRXJRSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)o1 ZINC000642906265 492400730 /nfs/dbraw/zinc/40/07/30/492400730.db2.gz CRVRUOJPYLBPOK-OAHLLOKOSA-N 2 0 350.463 0.737 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000642918601 492403811 /nfs/dbraw/zinc/40/38/11/492403811.db2.gz ZMTOKDGAKVPTCH-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642974863 492409323 /nfs/dbraw/zinc/40/93/23/492409323.db2.gz CPFHLPBQTSOXHZ-INIZCTEOSA-N 2 0 367.538 0.247 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642988412 492411837 /nfs/dbraw/zinc/41/18/37/492411837.db2.gz WINUTCNHSBKQOZ-RDJZCZTQSA-N 2 0 367.538 0.247 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643014739 492414489 /nfs/dbraw/zinc/41/44/89/492414489.db2.gz UPXBEKZFXFQWDE-OGJJZOIMSA-N 2 0 374.529 0.966 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)([NH+](C)C)C1 ZINC000621839372 492422316 /nfs/dbraw/zinc/42/23/16/492422316.db2.gz RQEUEEAFKAMIMD-PDWMJMLSSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000621840269 492422831 /nfs/dbraw/zinc/42/28/31/492422831.db2.gz GEELJVGJDQVWLG-OXJNMPFZSA-N 2 0 371.485 0.502 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621844081 492424282 /nfs/dbraw/zinc/42/42/82/492424282.db2.gz OVIJUPADANVFBZ-LAVAIGHBSA-N 2 0 370.497 0.963 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843809 492424551 /nfs/dbraw/zinc/42/45/51/492424551.db2.gz LXTSJZMVMWMXCM-CYJAXWMASA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622025382 492442006 /nfs/dbraw/zinc/44/20/06/492442006.db2.gz PODXABCMLYDJDK-APWZRJJASA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028516 492443588 /nfs/dbraw/zinc/44/35/88/492443588.db2.gz RHKKFJUWRCPXHN-SPYBWZPUSA-N 2 0 364.490 0.038 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655447840 492443931 /nfs/dbraw/zinc/44/39/31/492443931.db2.gz HBMZGKGGQPTARZ-PXNSSMCTSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622030560 492444910 /nfs/dbraw/zinc/44/49/10/492444910.db2.gz XPNUDVQOXNGFII-BEFAXECRSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030447 492445236 /nfs/dbraw/zinc/44/52/36/492445236.db2.gz WLSOUNYUPQHWIY-CRAIPNDOSA-N 2 0 364.515 0.978 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622031797 492445746 /nfs/dbraw/zinc/44/57/46/492445746.db2.gz UGVFZJBQSXEAAV-BEFAXECRSA-N 2 0 362.474 0.900 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000655508296 492450377 /nfs/dbraw/zinc/45/03/77/492450377.db2.gz MBTFMDPAQMWXIA-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000643419445 492454483 /nfs/dbraw/zinc/45/44/83/492454483.db2.gz IXVSCHULAMRAEH-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556358 492455775 /nfs/dbraw/zinc/45/57/75/492455775.db2.gz MADAKBSDRYUGQM-MSOLQXFVSA-N 2 0 367.538 0.424 20 0 FCADRP COC[C@@](C)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648785587 492456402 /nfs/dbraw/zinc/45/64/02/492456402.db2.gz TYHFQTBBHCKGIK-DINLJIAVSA-N 2 0 368.522 0.304 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635561707 492472478 /nfs/dbraw/zinc/47/24/78/492472478.db2.gz UGDKLUBLMUQLOD-UHFFFAOYSA-N 2 0 354.539 0.879 20 0 FCADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(C)s1 ZINC000643475133 492472782 /nfs/dbraw/zinc/47/27/82/492472782.db2.gz JDGNKRHCFGUWPJ-FPMFFAJLSA-N 2 0 361.533 0.985 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC(C)C2)CC[NH+]1C ZINC000648923519 492475706 /nfs/dbraw/zinc/47/57/06/492475706.db2.gz GDBHTBSAJXIWEP-BRSBDYLESA-N 2 0 364.534 0.974 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000643484608 492477956 /nfs/dbraw/zinc/47/79/56/492477956.db2.gz GVSFPBNAELXJSA-SFHVURJKSA-N 2 0 374.485 0.215 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643486974 492479019 /nfs/dbraw/zinc/47/90/19/492479019.db2.gz NJHZJUDEXRHHGA-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643494171 492481458 /nfs/dbraw/zinc/48/14/58/492481458.db2.gz NHNJDWONXMFXKY-ZBFHGGJFSA-N 2 0 354.495 0.140 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643494156 492481981 /nfs/dbraw/zinc/48/19/81/492481981.db2.gz MDPXARJHTATZNP-IAGOWNOFSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643525039 492490141 /nfs/dbraw/zinc/49/01/41/492490141.db2.gz NGQZUFGSCQMPKE-SQNIBIBYSA-N 2 0 362.518 0.779 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643524387 492490215 /nfs/dbraw/zinc/49/02/15/492490215.db2.gz RJLPUNHFSVURHN-UHFFFAOYSA-N 2 0 352.504 0.978 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643531721 492491378 /nfs/dbraw/zinc/49/13/78/492491378.db2.gz ARWBCGPVYHTOTA-NXHRZFHOSA-N 2 0 358.486 0.915 20 0 FCADRP CC1([NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000643541435 492494751 /nfs/dbraw/zinc/49/47/51/492494751.db2.gz KQBRFVKKNSUKEV-HDICACEKSA-N 2 0 370.497 0.917 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643544150 492495306 /nfs/dbraw/zinc/49/53/06/492495306.db2.gz RMAZXDWZFGIZIB-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000643541976 492495439 /nfs/dbraw/zinc/49/54/39/492495439.db2.gz KQFADNBSBPXIHV-QGZVFWFLSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643545302 492495982 /nfs/dbraw/zinc/49/59/82/492495982.db2.gz XKTCRTDNKNHFSY-XDNAFOTISA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549774 492496685 /nfs/dbraw/zinc/49/66/85/492496685.db2.gz OTVPMSLWVOBUOV-KBAYOESNSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@@H]21 ZINC000643549677 492497089 /nfs/dbraw/zinc/49/70/89/492497089.db2.gz BALZTOZFWYSCRN-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000643553487 492497459 /nfs/dbraw/zinc/49/74/59/492497459.db2.gz CHFIIAVFEGPMOQ-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[C@H]2C1 ZINC000643550003 492497638 /nfs/dbraw/zinc/49/76/38/492497638.db2.gz QOCYEYDYTVLERY-OWSLCNJRSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[C@H]2C1 ZINC000643550002 492497762 /nfs/dbraw/zinc/49/77/62/492497762.db2.gz QOCYEYDYTVLERY-BDXSIMOUSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000655973384 492500058 /nfs/dbraw/zinc/50/00/58/492500058.db2.gz FQZALKKMVMRDGA-GVDBMIGSSA-N 2 0 363.506 0.609 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2)C1 ZINC000643593472 492502973 /nfs/dbraw/zinc/50/29/73/492502973.db2.gz AULSNSXTYRPASS-LQWHRVPQSA-N 2 0 370.497 0.742 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594269 492503612 /nfs/dbraw/zinc/50/36/12/492503612.db2.gz XLUWQXLQONKZFC-FJIDUMEYSA-N 2 0 362.518 0.920 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000643594207 492503935 /nfs/dbraw/zinc/50/39/35/492503935.db2.gz MTWUKQCXZXMZIT-KSZLIROESA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635803035 492507907 /nfs/dbraw/zinc/50/79/07/492507907.db2.gz XSYJZLBSXRZOAM-UHFFFAOYSA-N 2 0 368.503 0.807 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000635807470 492507960 /nfs/dbraw/zinc/50/79/60/492507960.db2.gz ITZDFABKPFHWLD-FMKPAKJESA-N 2 0 364.494 0.032 20 0 FCADRP O=C(CCn1ccccc1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623110921 492513639 /nfs/dbraw/zinc/51/36/39/492513639.db2.gz DNGQSIOTZLNNDW-UHFFFAOYSA-N 2 0 369.469 0.962 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649277520 492517871 /nfs/dbraw/zinc/51/78/71/492517871.db2.gz BVIQDHQCUKMTPB-SJORKVTESA-N 2 0 370.457 0.443 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022775 492520147 /nfs/dbraw/zinc/52/01/47/492520147.db2.gz LVOQNTMOKWNGEL-XQLPTFJDSA-N 2 0 352.479 0.349 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)C[C@H]1C ZINC000649340364 492539025 /nfs/dbraw/zinc/53/90/25/492539025.db2.gz UEDYAMQKRZKOFJ-WBTNSWJXSA-N 2 0 364.494 0.311 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000649344183 492540396 /nfs/dbraw/zinc/54/03/96/492540396.db2.gz CCPZNVDUPZHKHX-CVEARBPZSA-N 2 0 354.495 0.286 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346758 492540862 /nfs/dbraw/zinc/54/08/62/492540862.db2.gz ILPHAMPJIMVCDL-CQSZACIVSA-N 2 0 374.476 0.974 20 0 FCADRP C[NH+](C)C1(CNC(=O)Cc2[nH]ccc2C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000636033746 492542374 /nfs/dbraw/zinc/54/23/74/492542374.db2.gz DLPDTZZEQASCRD-UHFFFAOYSA-N 2 0 361.490 0.592 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649352752 492546533 /nfs/dbraw/zinc/54/65/33/492546533.db2.gz IHCHIGPJLYMSPY-MNZLEMJZSA-N 2 0 358.486 0.741 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)cn2)CC1 ZINC000643774207 492555063 /nfs/dbraw/zinc/55/50/63/492555063.db2.gz QHUPMFGTVCUXKA-AWEZNQCLSA-N 2 0 356.434 0.212 20 0 FCADRP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H](CO)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000649473520 492555796 /nfs/dbraw/zinc/55/57/96/492555796.db2.gz YBKALPSYNVWEQK-NNXHMXCWSA-N 2 0 368.522 0.325 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000656299371 492577794 /nfs/dbraw/zinc/57/77/94/492577794.db2.gz RGVHJKHMBUNZJP-RKVPGOIHSA-N 2 0 368.547 0.673 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNc2nc(N)[nH+]c(N)n2)cc1OC ZINC000623873589 492603369 /nfs/dbraw/zinc/60/33/69/492603369.db2.gz MAIFZELQNBLHGE-UHFFFAOYSA-N 2 0 361.450 0.460 20 0 FCADRP CC(C)[NH+](CCNC(=O)C1CCN(c2nc(N)[nH+]c(N)n2)CC1)C(C)C ZINC000623895319 492604685 /nfs/dbraw/zinc/60/46/85/492604685.db2.gz NPNKNJQVQCACRP-UHFFFAOYSA-N 2 0 364.498 0.148 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656353976 492608811 /nfs/dbraw/zinc/60/88/11/492608811.db2.gz ADUFPUJHPWUVBU-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359333 492613731 /nfs/dbraw/zinc/61/37/31/492613731.db2.gz OUEBTLFRKWJBCN-ROUUACIJSA-N 2 0 371.485 0.863 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)C1 ZINC000656449064 492622827 /nfs/dbraw/zinc/62/28/27/492622827.db2.gz XNPPIYNEAAZAEI-QGZVFWFLSA-N 2 0 364.494 0.251 20 0 FCADRP Nc1nc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000624212644 492627966 /nfs/dbraw/zinc/62/79/66/492627966.db2.gz QQKLQBCNOMABNV-HNNXBMFYSA-N 2 0 354.462 0.093 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561737 492645355 /nfs/dbraw/zinc/64/53/55/492645355.db2.gz ZCZORRHYDHXAQN-PMACEKPBSA-N 2 0 374.529 0.930 20 0 FCADRP [NH3+]C[C@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000629568570 492647155 /nfs/dbraw/zinc/64/71/55/492647155.db2.gz UHPMISWHFLWQNG-QWHCGFSZSA-N 2 0 364.412 0.574 20 0 FCADRP C[N@H+](CCOCC[NH3+])Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000629574883 492652465 /nfs/dbraw/zinc/65/24/65/492652465.db2.gz JZGWPBDQVDUZFS-UHFFFAOYSA-N 2 0 355.236 0.864 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H]3[N@@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC000644227801 492673571 /nfs/dbraw/zinc/67/35/71/492673571.db2.gz UJPVBCHESYDOQR-KURKYZTESA-N 2 0 373.501 0.551 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000629813962 492685587 /nfs/dbraw/zinc/68/55/87/492685587.db2.gz FOXQSFLMRIQWLV-IRXDYDNUSA-N 2 0 366.506 0.014 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000636795560 492695913 /nfs/dbraw/zinc/69/59/13/492695913.db2.gz MMZJDVJBOARRHR-IKGGRYGDSA-N 2 0 356.511 0.489 20 0 FCADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000636911738 492726721 /nfs/dbraw/zinc/72/67/21/492726721.db2.gz BUTDXYBPEBPYCH-HDMKZQKVSA-N 2 0 354.495 0.242 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000630636978 492758262 /nfs/dbraw/zinc/75/82/62/492758262.db2.gz SHAWJLJSVWHUCV-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000644562516 492785676 /nfs/dbraw/zinc/78/56/76/492785676.db2.gz VJJNTLWAEZEURL-OAHLLOKOSA-N 2 0 374.485 0.259 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000644648632 492796292 /nfs/dbraw/zinc/79/62/92/492796292.db2.gz UKSRJSMNEFWVCQ-JFIYKMOQSA-N 2 0 366.506 0.582 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637260501 492800905 /nfs/dbraw/zinc/80/09/05/492800905.db2.gz JYRDSHGCSGTPIY-QGZVFWFLSA-N 2 0 354.495 0.243 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870639 492806454 /nfs/dbraw/zinc/80/64/54/492806454.db2.gz OWCDFNYTTSKBDC-QGZVFWFLSA-N 2 0 373.501 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]21 ZINC000657870155 492806805 /nfs/dbraw/zinc/80/68/05/492806805.db2.gz DXFWTCHAISJBSO-AEFFLSMTSA-N 2 0 371.485 0.673 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631277203 492808329 /nfs/dbraw/zinc/80/83/29/492808329.db2.gz WPNPCTBSGGRMDK-UHFFFAOYSA-N 2 0 350.511 0.543 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373476 492813520 /nfs/dbraw/zinc/81/35/20/492813520.db2.gz QCQWUEJKMVYKEZ-OAGGEKHMSA-N 2 0 351.495 0.594 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000637376084 492816470 /nfs/dbraw/zinc/81/64/70/492816470.db2.gz FPEMFPRMFDLVKZ-INIZCTEOSA-N 2 0 351.495 0.596 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000651845315 492833681 /nfs/dbraw/zinc/83/36/81/492833681.db2.gz IWYBKYUSDOYBDC-HNNXBMFYSA-N 2 0 350.467 0.324 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000631729334 492843588 /nfs/dbraw/zinc/84/35/88/492843588.db2.gz CHGXHHZPBRCGJW-UHFFFAOYSA-N 2 0 368.547 0.675 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)NCC3(O)CC[NH+](C)CC3)cn2)CC1 ZINC000637668334 492856377 /nfs/dbraw/zinc/85/63/77/492856377.db2.gz CKZRTBPSCUTXGY-UHFFFAOYSA-N 2 0 350.467 0.728 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000637819850 492870186 /nfs/dbraw/zinc/87/01/86/492870186.db2.gz RQTVOQPUZYCZGX-MSOLQXFVSA-N 2 0 358.486 0.822 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000631895244 492871257 /nfs/dbraw/zinc/87/12/57/492871257.db2.gz PMOOPVZUUPEAJK-GOSISDBHSA-N 2 0 372.579 0.904 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000637868237 492872445 /nfs/dbraw/zinc/87/24/45/492872445.db2.gz WFVAKIKUUHATTH-LRDDRELGSA-N 2 0 361.446 0.492 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652144802 492886078 /nfs/dbraw/zinc/88/60/78/492886078.db2.gz UBSJXBDYSXOFSV-FCEWJHQRSA-N 2 0 365.522 0.700 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000631935878 492890904 /nfs/dbraw/zinc/89/09/04/492890904.db2.gz OHGVAXJADMKWKB-MRXNPFEDSA-N 2 0 356.467 0.701 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000631938840 492892909 /nfs/dbraw/zinc/89/29/09/492892909.db2.gz NLDQCYUTMOEAPU-QGZVFWFLSA-N 2 0 358.552 0.275 20 0 FCADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000658446597 492895963 /nfs/dbraw/zinc/89/59/63/492895963.db2.gz BSHVDWFRCAYUSI-UHFFFAOYSA-N 2 0 358.486 0.393 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000638084399 492901968 /nfs/dbraw/zinc/90/19/68/492901968.db2.gz LDNMWKWVRPSLAL-UHFFFAOYSA-N 2 0 360.502 0.929 20 0 FCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652347736 492913351 /nfs/dbraw/zinc/91/33/51/492913351.db2.gz KKCWOXHPBRVJJH-SOUVJXGZSA-N 2 0 352.479 0.925 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652347674 492913393 /nfs/dbraw/zinc/91/33/93/492913393.db2.gz JHGMVRDZTNKOSJ-DKIMLUQUSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(CN1CC[NH2+]CC1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638137995 492915193 /nfs/dbraw/zinc/91/51/93/492915193.db2.gz SGTXOCFIKVBBOH-UHFFFAOYSA-N 2 0 359.518 0.216 20 0 FCADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc(N)nc3N)CC2)CC1 ZINC000638136054 492915626 /nfs/dbraw/zinc/91/56/26/492915626.db2.gz GGRNYOBATRYLPY-UHFFFAOYSA-N 2 0 361.538 0.930 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000632113275 492932226 /nfs/dbraw/zinc/93/22/26/492932226.db2.gz WMRSEOVZWCJTEV-UHFFFAOYSA-N 2 0 372.579 0.904 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000652463672 492939850 /nfs/dbraw/zinc/93/98/50/492939850.db2.gz PPPLWIGDOKVCIT-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632154090 492941012 /nfs/dbraw/zinc/94/10/12/492941012.db2.gz AEYBZTXTLRRSRB-UHFFFAOYSA-N 2 0 360.568 0.758 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000638415468 492944409 /nfs/dbraw/zinc/94/44/09/492944409.db2.gz ZFWGAPUHDTXBRE-MRXNPFEDSA-N 2 0 350.463 0.043 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cc1 ZINC000638526543 492958380 /nfs/dbraw/zinc/95/83/80/492958380.db2.gz MHSUIIKIXOSJOX-UHFFFAOYSA-N 2 0 361.490 0.600 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000652625930 492972554 /nfs/dbraw/zinc/97/25/54/492972554.db2.gz SHYVSFUXAQPGNK-UHFFFAOYSA-N 2 0 356.430 0.668 20 0 FCADRP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1=O ZINC000638720241 492973087 /nfs/dbraw/zinc/97/30/87/492973087.db2.gz SGHXIOMQRBPGDB-UGSOOPFHSA-N 2 0 352.479 0.532 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836002 492981764 /nfs/dbraw/zinc/98/17/64/492981764.db2.gz PPMHQOKZLIDERA-WDYCEAGBSA-N 2 0 360.502 0.970 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccn3C3CC[NH2+]CC3)CC2)C1=O ZINC000638856620 492982428 /nfs/dbraw/zinc/98/24/28/492982428.db2.gz PRTQIJKALSBAML-SFHVURJKSA-N 2 0 373.501 0.838 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc4c3CC[NH2+]C4)CC2)C1=O ZINC000638856961 492982456 /nfs/dbraw/zinc/98/24/56/492982456.db2.gz VJFBGKBMSCXFGD-GOSISDBHSA-N 2 0 356.470 0.757 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)C1=O ZINC000638856735 492982763 /nfs/dbraw/zinc/98/27/63/492982763.db2.gz SRLKOZXCVOAQTO-MSOLQXFVSA-N 2 0 356.470 0.512 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652668488 492983123 /nfs/dbraw/zinc/98/31/23/492983123.db2.gz BNCOEJHQNPEDEW-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645855223 492983170 /nfs/dbraw/zinc/98/31/70/492983170.db2.gz RAFJZXRFMZRNGI-BBWFWOEESA-N 2 0 350.507 0.681 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903946 492985398 /nfs/dbraw/zinc/98/53/98/492985398.db2.gz JGDQJSSBMOPPAU-AEFFLSMTSA-N 2 0 369.473 0.817 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652674407 492985848 /nfs/dbraw/zinc/98/58/48/492985848.db2.gz VSTKSDZSFSLTJR-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000652679753 492987262 /nfs/dbraw/zinc/98/72/62/492987262.db2.gz MQEHJIHPBCSPIB-HRCADAONSA-N 2 0 366.506 0.332 20 0 FCADRP O=C(CN1C(=O)COc2ccccc21)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987534 492990346 /nfs/dbraw/zinc/99/03/46/492990346.db2.gz UHRQJUYEBLUUJO-UHFFFAOYSA-N 2 0 367.409 0.855 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941209 492990419 /nfs/dbraw/zinc/99/04/19/492990419.db2.gz UGJWTDLAOKVIEH-FPOVZHCZSA-N 2 0 372.513 0.393 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978115 492995214 /nfs/dbraw/zinc/99/52/14/492995214.db2.gz SHHCDTZFGDAXDJ-AEFFLSMTSA-N 2 0 360.506 0.706 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730696 493008539 /nfs/dbraw/zinc/00/85/39/493008539.db2.gz MDTWQIJOFXONER-GVDBMIGSSA-N 2 0 368.522 0.530 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[NH+]1CCN(C)CC1 ZINC000646107801 493013579 /nfs/dbraw/zinc/01/35/79/493013579.db2.gz BUTMWEJZDQTGIU-MSOLQXFVSA-N 2 0 362.522 0.809 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632561899 493029298 /nfs/dbraw/zinc/02/92/98/493029298.db2.gz ZYSIAEHJJKEXMP-KRWDZBQOSA-N 2 0 360.568 0.664 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000632578838 493035924 /nfs/dbraw/zinc/03/59/24/493035924.db2.gz FTUFQUNYNQVZQK-SFHVURJKSA-N 2 0 372.579 0.665 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771407 493046708 /nfs/dbraw/zinc/04/67/08/493046708.db2.gz VYVXSEICNUXHMT-FUHWJXTLSA-N 2 0 353.507 0.887 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000658778978 493052493 /nfs/dbraw/zinc/05/24/93/493052493.db2.gz QONPMYUGKPDRFL-AWEZNQCLSA-N 2 0 362.478 0.689 20 0 FCADRP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851497 493056227 /nfs/dbraw/zinc/05/62/27/493056227.db2.gz MXDKEKGLHUIJGT-QUCCMNQESA-N 2 0 361.486 0.716 20 0 FCADRP CN(CCOCC[NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000626968582 493071087 /nfs/dbraw/zinc/07/10/87/493071087.db2.gz SMKDUKBLWDKECO-SFHVURJKSA-N 2 0 363.506 0.592 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)ccc2oc1=O ZINC000653114604 493072603 /nfs/dbraw/zinc/07/26/03/493072603.db2.gz NZUAOTNXDIAAFR-SGTLLEGYSA-N 2 0 360.414 0.331 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115084 493073099 /nfs/dbraw/zinc/07/30/99/493073099.db2.gz CBHFQZBVPFIANI-DOTOQJQBSA-N 2 0 361.490 0.601 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653125094 493076151 /nfs/dbraw/zinc/07/61/51/493076151.db2.gz SLZJPCVCFGIJHX-LJQANCHMSA-N 2 0 361.534 0.719 20 0 FCADRP [NH3+]C1(CNC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C2CC3CC(C2)CC1C3 ZINC000627102924 493088006 /nfs/dbraw/zinc/08/80/06/493088006.db2.gz BHRZQOPUHDFMKF-ABRWGSHYSA-N 2 0 373.505 0.765 20 0 FCADRP O=C(NCC1C[NH2+]C1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000640246453 493089810 /nfs/dbraw/zinc/08/98/10/493089810.db2.gz PMAMVBPLWMRRCT-LJQANCHMSA-N 2 0 357.502 0.808 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC000627230720 493112544 /nfs/dbraw/zinc/11/25/44/493112544.db2.gz LHDGISJJXBQTMP-RDJZCZTQSA-N 2 0 361.494 0.686 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653389193 493113606 /nfs/dbraw/zinc/11/36/06/493113606.db2.gz WEYYSRSJCDCSBK-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@@H+](C2CCC2)C1 ZINC000627233322 493113974 /nfs/dbraw/zinc/11/39/74/493113974.db2.gz DVBIJUBAHKRXNT-PBHICJAKSA-N 2 0 361.494 0.828 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000627233612 493114021 /nfs/dbraw/zinc/11/40/21/493114021.db2.gz BXLDXSQETXPIBN-OAHLLOKOSA-N 2 0 365.482 0.065 20 0 FCADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627234656 493114377 /nfs/dbraw/zinc/11/43/77/493114377.db2.gz KCXPUCRKZCNETN-NVXWUHKLSA-N 2 0 355.446 0.580 20 0 FCADRP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258115 493120706 /nfs/dbraw/zinc/12/07/06/493120706.db2.gz UVAIWANJZRLXJE-CEXWTWQISA-N 2 0 358.486 0.961 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258986 493120978 /nfs/dbraw/zinc/12/09/78/493120978.db2.gz KHOVYLVIEOKUOO-NSHGMRRFSA-N 2 0 359.470 0.291 20 0 FCADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633101276 493125119 /nfs/dbraw/zinc/12/51/19/493125119.db2.gz MHPMIJDLEALJKQ-QGFMHUBQSA-N 2 0 368.481 0.540 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000659020584 493125861 /nfs/dbraw/zinc/12/58/61/493125861.db2.gz OAVYOIPUTLHGCF-AWEZNQCLSA-N 2 0 362.478 0.381 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000659020716 493126201 /nfs/dbraw/zinc/12/62/01/493126201.db2.gz RGMNVOWYZAERKD-UHFFFAOYSA-N 2 0 351.451 0.508 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000633117751 493133255 /nfs/dbraw/zinc/13/32/55/493133255.db2.gz FZMJRGKNUIBECO-BPQIPLTHSA-N 2 0 358.486 0.710 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117707 493133461 /nfs/dbraw/zinc/13/34/61/493133461.db2.gz FPQZIBCRMSTKAF-DZJNRPSUSA-N 2 0 356.470 0.667 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000627292833 493136560 /nfs/dbraw/zinc/13/65/60/493136560.db2.gz FBIXQFPLQFOFQN-MSOLQXFVSA-N 2 0 360.502 0.732 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633149382 493136914 /nfs/dbraw/zinc/13/69/14/493136914.db2.gz XFWDPQMGMAWWQK-NJAFHUGGSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297118 493139269 /nfs/dbraw/zinc/13/92/69/493139269.db2.gz BRBVJCICURWENZ-LSDHHAIUSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316226 493145284 /nfs/dbraw/zinc/14/52/84/493145284.db2.gz CMMWELBOTTWSRW-XFZGEKFBSA-N 2 0 360.502 0.338 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647092065 493162092 /nfs/dbraw/zinc/16/20/92/493162092.db2.gz XTAZZPRVZPPYFS-IKGGRYGDSA-N 2 0 357.458 0.433 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627343032 493163037 /nfs/dbraw/zinc/16/30/37/493163037.db2.gz WWNKELNPVTVDMZ-NXHRZFHOSA-N 2 0 374.485 0.118 20 0 FCADRP [NH3+]CCOCc1cn(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000641043707 493164559 /nfs/dbraw/zinc/16/45/59/493164559.db2.gz SQFHSEAAFGJRLK-UHFFFAOYSA-N 2 0 372.473 0.666 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC000627351599 493170699 /nfs/dbraw/zinc/17/06/99/493170699.db2.gz XIIYVMSACJIIFH-HUUCEWRRSA-N 2 0 368.503 0.352 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000627353702 493171758 /nfs/dbraw/zinc/17/17/58/493171758.db2.gz IXHYDBXRXPNCRE-SFHVURJKSA-N 2 0 372.513 0.658 20 0 FCADRP C[N@H+](CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659430665 493173954 /nfs/dbraw/zinc/17/39/54/493173954.db2.gz HFPIYAUILAJBAE-UHFFFAOYSA-N 2 0 358.446 0.962 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659434316 493175502 /nfs/dbraw/zinc/17/55/02/493175502.db2.gz LCXCNWTXXIFBAL-STQMWFEESA-N 2 0 350.467 0.808 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000659433852 493176844 /nfs/dbraw/zinc/17/68/44/493176844.db2.gz GUZNGQMXYWBPPY-UHFFFAOYSA-N 2 0 370.457 0.889 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659436818 493178443 /nfs/dbraw/zinc/17/84/43/493178443.db2.gz ZIENBEIYQGCWDS-ZDUSSCGKSA-N 2 0 350.467 0.952 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641214251 493182125 /nfs/dbraw/zinc/18/21/25/493182125.db2.gz AYXKDEIDZSNVQM-SFHVURJKSA-N 2 0 355.446 0.475 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000659456117 493183823 /nfs/dbraw/zinc/18/38/23/493183823.db2.gz HVPOXHJVSAIYHS-IKGGRYGDSA-N 2 0 353.511 0.162 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)CC2)N1 ZINC000647294551 493190824 /nfs/dbraw/zinc/19/08/24/493190824.db2.gz GSDKBBMBWZRSGY-BYGOXVSRSA-N 2 0 364.490 0.865 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000627381751 493191236 /nfs/dbraw/zinc/19/12/36/493191236.db2.gz ALFFCMVTOZVCSY-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627392652 493199519 /nfs/dbraw/zinc/19/95/19/493199519.db2.gz BCJYJSAJGJJKSJ-QWHCGFSZSA-N 2 0 366.428 0.820 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627402215 493204088 /nfs/dbraw/zinc/20/40/88/493204088.db2.gz XRTYFMBVKSEZSU-MSOLQXFVSA-N 2 0 358.486 0.834 20 0 FCADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666670330 493213265 /nfs/dbraw/zinc/21/32/65/493213265.db2.gz IRPPVVNDKDPEQI-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP CN1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659566337 493213593 /nfs/dbraw/zinc/21/35/93/493213593.db2.gz JPXVJAANTFTGSD-GOSISDBHSA-N 2 0 360.506 0.578 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589758 493217325 /nfs/dbraw/zinc/21/73/25/493217325.db2.gz BTXYQLCVBRUHNQ-IAGOWNOFSA-N 2 0 352.454 0.885 20 0 FCADRP CC(C)c1ccnc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000666699611 493218478 /nfs/dbraw/zinc/21/84/78/493218478.db2.gz JCSIKVTVMQCFJQ-MRXNPFEDSA-N 2 0 360.506 0.919 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659600612 493219324 /nfs/dbraw/zinc/21/93/24/493219324.db2.gz AYFBPWWXKIVFCR-CVEARBPZSA-N 2 0 365.522 0.890 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000666770451 493224606 /nfs/dbraw/zinc/22/46/06/493224606.db2.gz APVUZFUCYJTJKC-INIZCTEOSA-N 2 0 358.442 0.708 20 0 FCADRP CCC[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CCOC ZINC000659631123 493225559 /nfs/dbraw/zinc/22/55/59/493225559.db2.gz RKYYDJQDDHKBNB-CQSZACIVSA-N 2 0 366.466 0.283 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000659638042 493226426 /nfs/dbraw/zinc/22/64/26/493226426.db2.gz ICTCRFDHTKASHS-OAHLLOKOSA-N 2 0 353.511 0.618 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000666796308 493228243 /nfs/dbraw/zinc/22/82/43/493228243.db2.gz NOEIXHBEPHZOKI-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000672695131 493234405 /nfs/dbraw/zinc/23/44/05/493234405.db2.gz JKYVLQUKEFIAOL-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000672695472 493234486 /nfs/dbraw/zinc/23/44/86/493234486.db2.gz HLISZMHZDNVDLX-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000672696440 493234791 /nfs/dbraw/zinc/23/47/91/493234791.db2.gz XJRBKTALTKXCMQ-YESZJQIVSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000641443782 493237026 /nfs/dbraw/zinc/23/70/26/493237026.db2.gz WDPDETFAKIZGDO-IRXDYDNUSA-N 2 0 360.506 0.972 20 0 FCADRP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979322 493245003 /nfs/dbraw/zinc/24/50/03/493245003.db2.gz TYBWCRACPFKBGF-TVFCKZIOSA-N 2 0 366.506 0.527 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000659678412 493247316 /nfs/dbraw/zinc/24/73/16/493247316.db2.gz MDUHPLNMBXYWLB-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659679609 493248077 /nfs/dbraw/zinc/24/80/77/493248077.db2.gz MARZZUGGCLKTGV-XBVQOTNRSA-N 2 0 366.506 0.066 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659682260 493248816 /nfs/dbraw/zinc/24/88/16/493248816.db2.gz IHIBTCSRICRLNC-GJZGRUSLSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1=CC[N@H+](C)CC1 ZINC000659700919 493261538 /nfs/dbraw/zinc/26/15/38/493261538.db2.gz ASKKLNDZJVNRRB-QAPCUYQASA-N 2 0 362.518 0.991 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000659704328 493263649 /nfs/dbraw/zinc/26/36/49/493263649.db2.gz MSOZIYXJVLCTBC-UHFFFAOYSA-N 2 0 364.490 0.829 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000659708256 493266289 /nfs/dbraw/zinc/26/62/89/493266289.db2.gz NYVRKDYMMUKURQ-AWEZNQCLSA-N 2 0 354.495 0.250 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659726912 493274694 /nfs/dbraw/zinc/27/46/94/493274694.db2.gz CQSLHGKBZGHEMV-MAUKXSAKSA-N 2 0 373.501 0.606 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659729355 493276442 /nfs/dbraw/zinc/27/64/42/493276442.db2.gz QZLQMFDPYXOBTA-HUUCEWRRSA-N 2 0 361.490 0.652 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734234 493278028 /nfs/dbraw/zinc/27/80/28/493278028.db2.gz OARHYGGHTQNWIB-CQSZACIVSA-N 2 0 352.479 0.086 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734233 493278099 /nfs/dbraw/zinc/27/80/99/493278099.db2.gz OARHYGGHTQNWIB-AWEZNQCLSA-N 2 0 352.479 0.086 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659737955 493279837 /nfs/dbraw/zinc/27/98/37/493279837.db2.gz WRIBONMBNNXAQW-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659738447 493279850 /nfs/dbraw/zinc/27/98/50/493279850.db2.gz DUMYRVYEOXLAGP-QAETUUGQSA-N 2 0 366.506 0.332 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667537188 493289144 /nfs/dbraw/zinc/28/91/44/493289144.db2.gz SRLAZQKKDIXZBE-GDBMZVCRSA-N 2 0 360.458 0.906 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000667583944 493290753 /nfs/dbraw/zinc/29/07/53/493290753.db2.gz PZPBGYUERYQUCF-GJZGRUSLSA-N 2 0 350.438 0.888 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812646 493303085 /nfs/dbraw/zinc/30/30/85/493303085.db2.gz SIYYEHATPXBHSD-CABCVRRESA-N 2 0 362.540 0.189 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000673337282 493318689 /nfs/dbraw/zinc/31/86/89/493318689.db2.gz FTHUDGRYDILIHL-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000660075157 493322220 /nfs/dbraw/zinc/32/22/20/493322220.db2.gz XACDSZGUJKXGTB-IPMKNSEASA-N 2 0 358.571 0.395 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)n2)CC1 ZINC000683867671 493375862 /nfs/dbraw/zinc/37/58/62/493375862.db2.gz NZMNAQGCJANEHI-HNNXBMFYSA-N 2 0 374.489 0.689 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000660830057 493383595 /nfs/dbraw/zinc/38/35/95/493383595.db2.gz KUVQMGSWRBKQQK-FUHWJXTLSA-N 2 0 367.538 0.422 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860983 493388146 /nfs/dbraw/zinc/38/81/46/493388146.db2.gz ADGKJFVZBAFDQU-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864236 493388849 /nfs/dbraw/zinc/38/88/49/493388849.db2.gz LXWMCYOBNBFBOL-DLBZAZTESA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864239 493388881 /nfs/dbraw/zinc/38/88/81/493388881.db2.gz LXWMCYOBNBFBOL-SJORKVTESA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864238 493389457 /nfs/dbraw/zinc/38/94/57/493389457.db2.gz LXWMCYOBNBFBOL-IRXDYDNUSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000674140575 493392717 /nfs/dbraw/zinc/39/27/17/493392717.db2.gz LCKWQDUOPYGIIB-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cc(C(=O)N[C@@H](C)CC[NH+](C)C)[nH]n1 ZINC000668693922 493398994 /nfs/dbraw/zinc/39/89/94/493398994.db2.gz YBFBJYVZPIOQMI-STQMWFEESA-N 2 0 352.483 0.550 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668827073 493416673 /nfs/dbraw/zinc/41/66/73/493416673.db2.gz PPTQCVCSJGFEAX-DOTOQJQBSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000668839762 493418741 /nfs/dbraw/zinc/41/87/41/493418741.db2.gz CSWWHSDKQKPDHJ-KRWDZBQOSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@@H+]1C ZINC000668892659 493429628 /nfs/dbraw/zinc/42/96/28/493429628.db2.gz IXUIRTNGNWYFBV-ZBFHGGJFSA-N 2 0 359.474 0.897 20 0 FCADRP NC(=O)C1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC000661594154 493449135 /nfs/dbraw/zinc/44/91/35/493449135.db2.gz NYFUYYLRTLIPHY-UHFFFAOYSA-N 2 0 374.485 0.523 20 0 FCADRP O=C1CC[C@@H]2C[N@H+](CCCC[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661600797 493450330 /nfs/dbraw/zinc/45/03/30/493450330.db2.gz JRWIJPISOOZMRL-TVFCKZIOSA-N 2 0 362.518 0.968 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000669072083 493460715 /nfs/dbraw/zinc/46/07/15/493460715.db2.gz ZKCKNNSMKARKCY-SFHVURJKSA-N 2 0 372.513 0.802 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189988 493472892 /nfs/dbraw/zinc/47/28/92/493472892.db2.gz FXUKRCWFJJWTAT-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306595 493473858 /nfs/dbraw/zinc/47/38/58/493473858.db2.gz GXJSTRIOCWUWLQ-RHSMWYFYSA-N 2 0 357.458 0.329 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCN2CCOCC2)CC2CC2)CC1 ZINC000661978159 493480347 /nfs/dbraw/zinc/48/03/47/493480347.db2.gz HSNYSINBRGUSPK-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000662221621 493497213 /nfs/dbraw/zinc/49/72/13/493497213.db2.gz BGZLOGJQEANVOV-OBMJPTGESA-N 2 0 368.566 0.291 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000669426357 493503067 /nfs/dbraw/zinc/50/30/67/493503067.db2.gz WKJZNWYFYMBYNV-WMLDXEAASA-N 2 0 350.463 0.885 20 0 FCADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)N1CCN(c2cnccn2)CC1 ZINC000662291776 493503731 /nfs/dbraw/zinc/50/37/31/493503731.db2.gz KFBZLNWCYMUFQB-SFHVURJKSA-N 2 0 372.517 0.837 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669444090 493504310 /nfs/dbraw/zinc/50/43/10/493504310.db2.gz YOIJXFYDSFVNSS-PMPSAXMXSA-N 2 0 351.495 0.323 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000662292833 493504585 /nfs/dbraw/zinc/50/45/85/493504585.db2.gz OXLUMDUHEWCZHT-OAHLLOKOSA-N 2 0 355.508 0.410 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675816741 493504639 /nfs/dbraw/zinc/50/46/39/493504639.db2.gz GNXUPFDISKVAOQ-UHFFFAOYSA-N 2 0 372.579 0.950 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[NH2+]C3CC3)c2)C1 ZINC000669470028 493504993 /nfs/dbraw/zinc/50/49/93/493504993.db2.gz YAGIMZRCWIUZJN-QGZVFWFLSA-N 2 0 373.501 0.935 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486422 493506254 /nfs/dbraw/zinc/50/62/54/493506254.db2.gz DPJUTPIWCJLJTO-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000669490329 493507360 /nfs/dbraw/zinc/50/73/60/493507360.db2.gz AKKDVQSHKNVHMY-GDBMZVCRSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000669490713 493507683 /nfs/dbraw/zinc/50/76/83/493507683.db2.gz WIQRRTBMJKPJQI-JSGCOSHPSA-N 2 0 365.444 0.852 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC[C@H](N2CCNCC2=O)C1)c1cccc(Cl)c1 ZINC000669513944 493508498 /nfs/dbraw/zinc/50/84/98/493508498.db2.gz DTKZPLBMCUHZCE-HOCLYGCPSA-N 2 0 350.850 0.763 20 0 FCADRP C[N@@H+]1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000662382883 493511146 /nfs/dbraw/zinc/51/11/46/493511146.db2.gz CYGSERJGQYHXJK-GOSISDBHSA-N 2 0 371.489 0.345 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662387870 493511949 /nfs/dbraw/zinc/51/19/49/493511949.db2.gz MVILDFSOOJBIPK-UHFFFAOYSA-N 2 0 371.489 0.304 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401643 493512938 /nfs/dbraw/zinc/51/29/38/493512938.db2.gz PMIWCSJJYCGHHO-WMZOPIPTSA-N 2 0 356.470 0.891 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449617 493516526 /nfs/dbraw/zinc/51/65/26/493516526.db2.gz ZPGLUHKQYULSOP-MJGOQNOKSA-N 2 0 358.486 0.696 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662637401 493529452 /nfs/dbraw/zinc/52/94/52/493529452.db2.gz HFWZKDRSLGRRHP-SFHVURJKSA-N 2 0 373.501 0.668 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704660 493533010 /nfs/dbraw/zinc/53/30/10/493533010.db2.gz JOAPTDCTAOVTAH-BXUZGUMPSA-N 2 0 350.385 0.232 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721066 493534922 /nfs/dbraw/zinc/53/49/22/493534922.db2.gz PUAZULUPNFUFMI-RBUKOAKNSA-N 2 0 360.502 0.626 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662755495 493539182 /nfs/dbraw/zinc/53/91/82/493539182.db2.gz CFOJIKNKILHBEW-OALUTQOASA-N 2 0 360.502 0.804 20 0 FCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662757367 493539203 /nfs/dbraw/zinc/53/92/03/493539203.db2.gz IOISBEQVBDJJDG-MRXNPFEDSA-N 2 0 360.506 0.883 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757737 493539224 /nfs/dbraw/zinc/53/92/24/493539224.db2.gz LZPQDPYRTXQDCY-OALUTQOASA-N 2 0 360.502 0.804 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662858483 493547508 /nfs/dbraw/zinc/54/75/08/493547508.db2.gz IUWOBKKZCWLURS-QGZVFWFLSA-N 2 0 369.473 0.850 20 0 FCADRP CC[N@@H+]1CCC[C@H](CN(C)C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1c1cnn(C)c1 ZINC000662863514 493547893 /nfs/dbraw/zinc/54/78/93/493547893.db2.gz HMIRUJTUUNPRRF-KBAYOESNSA-N 2 0 363.506 0.888 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662931027 493555962 /nfs/dbraw/zinc/55/59/62/493555962.db2.gz ZFOXGXHBULYUOC-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)[C@H]2C1 ZINC000662944605 493558425 /nfs/dbraw/zinc/55/84/25/493558425.db2.gz NXTJHVIDKKERLI-KURKYZTESA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662954353 493560344 /nfs/dbraw/zinc/56/03/44/493560344.db2.gz UTAYGGGRKWRIDC-AEFFLSMTSA-N 2 0 358.486 0.582 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662962501 493561346 /nfs/dbraw/zinc/56/13/46/493561346.db2.gz JVEWPECAJBHEAC-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662962499 493561469 /nfs/dbraw/zinc/56/14/69/493561469.db2.gz JVEWPECAJBHEAC-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000662983571 493564023 /nfs/dbraw/zinc/56/40/23/493564023.db2.gz CTVAZNYWAOTNND-ZACQAIPSSA-N 2 0 366.506 0.143 20 0 FCADRP CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670435849 493567034 /nfs/dbraw/zinc/56/70/34/493567034.db2.gz CQHSOKFMYZMVKQ-MRXNPFEDSA-N 2 0 359.474 0.325 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479683 493591252 /nfs/dbraw/zinc/59/12/52/493591252.db2.gz JTIYGVZADOMUOF-MSOLQXFVSA-N 2 0 368.522 0.584 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670782777 493596279 /nfs/dbraw/zinc/59/62/79/493596279.db2.gz LFIUYOWXUCWBKF-KRWDZBQOSA-N 2 0 364.490 0.053 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670877847 493608524 /nfs/dbraw/zinc/60/85/24/493608524.db2.gz IDPOFUNEXOGDBS-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000670984970 493620526 /nfs/dbraw/zinc/62/05/26/493620526.db2.gz BHSIHPQBQQZPJD-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000671071570 493629107 /nfs/dbraw/zinc/62/91/07/493629107.db2.gz PRYLZPYSBGAQKK-RHSMWYFYSA-N 2 0 356.536 0.529 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071266 493629144 /nfs/dbraw/zinc/62/91/44/493629144.db2.gz SLJYFOODRRUUFM-KEYYUXOJSA-N 2 0 354.520 0.283 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091509 493632090 /nfs/dbraw/zinc/63/20/90/493632090.db2.gz NSGOTABJCAOSIQ-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664066075 493633921 /nfs/dbraw/zinc/63/39/21/493633921.db2.gz QYADGDIJTYUILP-SJORKVTESA-N 2 0 354.495 0.338 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671105918 493634996 /nfs/dbraw/zinc/63/49/96/493634996.db2.gz OTNVBNDSQCECTF-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671365591 493660929 /nfs/dbraw/zinc/66/09/29/493660929.db2.gz AMEFNEKZNSCOLY-HZPDHXFCSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@@H]1CN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)CO1 ZINC000664473003 493661923 /nfs/dbraw/zinc/66/19/23/493661923.db2.gz JHCWUKGQGPBSFG-BURFUSLBSA-N 2 0 368.522 0.773 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380481 493677933 /nfs/dbraw/zinc/67/79/33/493677933.db2.gz IPBFHJRMKHRZRW-BRWVUGGUSA-N 2 0 365.522 0.700 20 0 FCADRP CC(CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778685 493683045 /nfs/dbraw/zinc/68/30/45/493683045.db2.gz SEHDZUUCBURFCU-FGYAAKKASA-N 2 0 370.582 0.396 20 0 FCADRP CCO[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000679904228 493700164 /nfs/dbraw/zinc/70/01/64/493700164.db2.gz CELABTSTHVYGCK-OSYLJGHBSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671816094 493706852 /nfs/dbraw/zinc/70/68/52/493706852.db2.gz LELVLRDSZBLEFE-HUUCEWRRSA-N 2 0 364.490 0.051 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820097 493707520 /nfs/dbraw/zinc/70/75/20/493707520.db2.gz GNGZUBJZRIXRIR-DOTOQJQBSA-N 2 0 367.538 0.070 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000671849409 493708521 /nfs/dbraw/zinc/70/85/21/493708521.db2.gz NIXPTTGFLLNHSA-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671849394 493708593 /nfs/dbraw/zinc/70/85/93/493708593.db2.gz DMLVVSLQJMXLLL-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880934 493710575 /nfs/dbraw/zinc/71/05/75/493710575.db2.gz YFPKZIKIWZLHMX-IRXDYDNUSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000665458595 493716086 /nfs/dbraw/zinc/71/60/86/493716086.db2.gz KSMWGDDVQSCLFI-UHFFFAOYSA-N 2 0 368.522 0.633 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680507982 493720819 /nfs/dbraw/zinc/72/08/19/493720819.db2.gz DUVRYLQFPPJMLG-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000672008862 493724112 /nfs/dbraw/zinc/72/41/12/493724112.db2.gz CPBKLUZUSLINLW-AWEZNQCLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011013 493724336 /nfs/dbraw/zinc/72/43/36/493724336.db2.gz BXLOKNNKFPMFPJ-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011014 493724359 /nfs/dbraw/zinc/72/43/59/493724359.db2.gz BXLOKNNKFPMFPJ-RDJZCZTQSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672099033 493735596 /nfs/dbraw/zinc/73/55/96/493735596.db2.gz PEXRMCDOLSFUJH-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000665887247 493742502 /nfs/dbraw/zinc/74/25/02/493742502.db2.gz HRHJKNJICZDCAN-AZUAARDMSA-N 2 0 361.486 0.586 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011215 674338192 /nfs/dbraw/zinc/33/81/92/674338192.db2.gz QGDVTLAJILEDCK-CVEARBPZSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000410477748 534019190 /nfs/dbraw/zinc/01/91/90/534019190.db2.gz VXFXMXSPCFJCLD-MRXNPFEDSA-N 2 0 366.506 0.110 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419444215 536497102 /nfs/dbraw/zinc/49/71/02/536497102.db2.gz CDEYZGCGTBOKPZ-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410811959 527829556 /nfs/dbraw/zinc/82/95/56/527829556.db2.gz XAZSKFITVUUKDV-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410501593 528123121 /nfs/dbraw/zinc/12/31/21/528123121.db2.gz CYJPCXQIHJVTJE-QGZVFWFLSA-N 2 0 366.506 0.276 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000410434819 528281810 /nfs/dbraw/zinc/28/18/10/528281810.db2.gz PELGPIXWXIELDY-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP CCCN1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000411789102 528304348 /nfs/dbraw/zinc/30/43/48/528304348.db2.gz NZMYBINSGIFZJL-QGZVFWFLSA-N 2 0 373.501 0.968 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)CC1 ZINC000411821773 528979136 /nfs/dbraw/zinc/97/91/36/528979136.db2.gz OILHEDXUZYRXSQ-UHFFFAOYSA-N 2 0 362.518 0.857 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000411768902 528995437 /nfs/dbraw/zinc/99/54/37/528995437.db2.gz JICXKZWLBQGUBR-RTBURBONSA-N 2 0 353.507 0.885 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C1 ZINC000178884662 529051876 /nfs/dbraw/zinc/05/18/76/529051876.db2.gz JEINGEXFAHZYAE-KRWDZBQOSA-N 2 0 352.523 0.759 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782091 529099543 /nfs/dbraw/zinc/09/95/43/529099543.db2.gz KWKNUWWHUKSMAA-HNNXBMFYSA-N 2 0 374.493 0.682 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419132216 535069613 /nfs/dbraw/zinc/06/96/13/535069613.db2.gz DPCJBLAKSVXBBA-OAHLLOKOSA-N 2 0 350.463 0.343 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000419705455 535071585 /nfs/dbraw/zinc/07/15/85/535071585.db2.gz ZPLCBLCKADAGOE-YVSFHVDLSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419692523 535074478 /nfs/dbraw/zinc/07/44/78/535074478.db2.gz GZRBATIZOLCJSK-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419158930 535081843 /nfs/dbraw/zinc/08/18/43/535081843.db2.gz WUHRBYVRCSAYBM-XHSDSOJGSA-N 2 0 368.522 0.700 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000419154728 535082818 /nfs/dbraw/zinc/08/28/18/535082818.db2.gz QLLAEFSRWAIKMM-GVDBMIGSSA-N 2 0 352.523 0.975 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCOCC1 ZINC000416961495 535106037 /nfs/dbraw/zinc/10/60/37/535106037.db2.gz SHXCDQRTGXCZPC-DLBZAZTESA-N 2 0 355.527 0.326 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418435107 535185878 /nfs/dbraw/zinc/18/58/78/535185878.db2.gz HCUKSADXAWTQEL-CABCVRRESA-N 2 0 353.511 0.794 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423662646 535186667 /nfs/dbraw/zinc/18/66/67/535186667.db2.gz NJXOCADDPGNSMJ-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CC[NH2+]CC1 ZINC000419577474 535191702 /nfs/dbraw/zinc/19/17/02/535191702.db2.gz DIULAJZSXYEMHX-QGZVFWFLSA-N 2 0 356.536 0.531 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000415347014 535204523 /nfs/dbraw/zinc/20/45/23/535204523.db2.gz IHXGIJUOPXEZNV-INIZCTEOSA-N 2 0 373.501 0.976 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423470912 535210031 /nfs/dbraw/zinc/21/00/31/535210031.db2.gz DPYXEMWSFPGAFT-KRWDZBQOSA-N 2 0 370.538 0.778 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423461257 535523917 /nfs/dbraw/zinc/52/39/17/535523917.db2.gz BWACURPEWRRIDB-ZDUSSCGKSA-N 2 0 366.428 0.930 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423513582 535542685 /nfs/dbraw/zinc/54/26/85/535542685.db2.gz CKQHIFQZPZZSBY-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1=O ZINC000442618080 535549800 /nfs/dbraw/zinc/54/98/00/535549800.db2.gz NXHXBPXXHNTWBS-YESZJQIVSA-N 2 0 350.507 0.907 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901586 535596603 /nfs/dbraw/zinc/59/66/03/535596603.db2.gz UICYYQUCFPQCCY-ROUUACIJSA-N 2 0 373.501 0.763 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000415850458 535608689 /nfs/dbraw/zinc/60/86/89/535608689.db2.gz GVGHRKCFIRNILH-KRWDZBQOSA-N 2 0 361.490 0.487 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000415334463 535609389 /nfs/dbraw/zinc/60/93/89/535609389.db2.gz SIFHHTQCQQYTIA-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])CC(C)C ZINC000419128216 535669103 /nfs/dbraw/zinc/66/91/03/535669103.db2.gz VOLOYEVIKIAXGO-IXDOHACOSA-N 2 0 370.538 0.824 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000423482004 535713526 /nfs/dbraw/zinc/71/35/26/535713526.db2.gz XIKQTVNQDFQXCV-QGZVFWFLSA-N 2 0 350.507 0.907 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896924 535771270 /nfs/dbraw/zinc/77/12/70/535771270.db2.gz YIBDJOGMGYHAOW-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000419656116 535838907 /nfs/dbraw/zinc/83/89/07/535838907.db2.gz ICQVYCAYSUMTKJ-UHFFFAOYSA-N 2 0 362.474 0.455 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425396314 535865744 /nfs/dbraw/zinc/86/57/44/535865744.db2.gz YMUUBFSLIZEIRQ-DOTOQJQBSA-N 2 0 362.474 0.722 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799703 535877808 /nfs/dbraw/zinc/87/78/08/535877808.db2.gz CSUSQXLUERIBJR-DLBZAZTESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799715 535880914 /nfs/dbraw/zinc/88/09/14/535880914.db2.gz CSUSQXLUERIBJR-SJORKVTESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000419657228 535901855 /nfs/dbraw/zinc/90/18/55/535901855.db2.gz JHTMWPZDVBTNKW-MRXNPFEDSA-N 2 0 362.474 0.154 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419217284 535904381 /nfs/dbraw/zinc/90/43/81/535904381.db2.gz QHRLAKZIHNVPMB-SJORKVTESA-N 2 0 374.485 0.596 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000419708380 535927682 /nfs/dbraw/zinc/92/76/82/535927682.db2.gz HJSWUVSSQFEZSC-UHFFFAOYSA-N 2 0 360.502 0.913 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)O1 ZINC000426591949 536110349 /nfs/dbraw/zinc/11/03/49/536110349.db2.gz AUNPESATJQHTJE-KBPBESRZSA-N 2 0 356.511 0.447 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423440426 536340414 /nfs/dbraw/zinc/34/04/14/536340414.db2.gz XGCOFOOJOIXORE-DZKIICNBSA-N 2 0 355.479 0.615 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423311166 536366935 /nfs/dbraw/zinc/36/69/35/536366935.db2.gz SUAQFOXUKHQLPI-QZTJIDSGSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000419758119 536368546 /nfs/dbraw/zinc/36/85/46/536368546.db2.gz DMRBOVPTZUHENX-MSOLQXFVSA-N 2 0 358.486 0.834 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835708 536449479 /nfs/dbraw/zinc/44/94/79/536449479.db2.gz AOZFQZYJAYUHJL-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419878208 536449495 /nfs/dbraw/zinc/44/94/95/536449495.db2.gz YSEBXFDBXIIFJV-AEFFLSMTSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691557 536449972 /nfs/dbraw/zinc/44/99/72/536449972.db2.gz MLRDUAQADVXCRU-CQSZACIVSA-N 2 0 356.536 0.436 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000423674783 536652218 /nfs/dbraw/zinc/65/22/18/536652218.db2.gz PJRSVAJBXMPSCB-HZPDHXFCSA-N 2 0 352.479 0.038 20 0 FCADRP COC[C@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000423384379 536654510 /nfs/dbraw/zinc/65/45/10/536654510.db2.gz LDDTYICIHOVQJO-SCTDSRPQSA-N 2 0 352.523 0.630 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H](C[NH3+])C1 ZINC000423683676 536734931 /nfs/dbraw/zinc/73/49/31/536734931.db2.gz WWVOFJMOLTVEJE-HOTGVXAUSA-N 2 0 368.522 0.532 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419749535 536746223 /nfs/dbraw/zinc/74/62/23/536746223.db2.gz HHIGZWTYCKFAMF-ZBFHGGJFSA-N 2 0 368.522 0.720 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419753633 536746406 /nfs/dbraw/zinc/74/64/06/536746406.db2.gz OAXSKUWFHUDGSW-INIZCTEOSA-N 2 0 370.538 0.824 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419884510 536774557 /nfs/dbraw/zinc/77/45/57/536774557.db2.gz NYUQHXYNDAOYND-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP COC[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000424024756 536813384 /nfs/dbraw/zinc/81/33/84/536813384.db2.gz XWWAOIZFPZJPGI-LJQANCHMSA-N 3 0 360.502 0.722 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000591640615 546595973 /nfs/dbraw/zinc/59/59/73/546595973.db2.gz AFJKDVONPGWBPE-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418505447 546906864 /nfs/dbraw/zinc/90/68/64/546906864.db2.gz FJATXKYBDSWBBA-CZUORRHYSA-N 2 0 356.417 0.946 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420159054 546909739 /nfs/dbraw/zinc/90/97/39/546909739.db2.gz HPSBREKJGXYKQO-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550032459 547077713 /nfs/dbraw/zinc/07/77/13/547077713.db2.gz MNRAYQGRXNJGQW-MRXNPFEDSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000550096665 547078122 /nfs/dbraw/zinc/07/81/22/547078122.db2.gz KYMPOAXWDQELHU-MRXNPFEDSA-N 2 0 356.511 0.258 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000550312904 547083036 /nfs/dbraw/zinc/08/30/36/547083036.db2.gz WWRUYFHPJKCBTF-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000550457213 547087106 /nfs/dbraw/zinc/08/71/06/547087106.db2.gz AFXYUDFPCZUZCN-MRXNPFEDSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911658 547114828 /nfs/dbraw/zinc/11/48/28/547114828.db2.gz UERQHEBOYJDOCI-YOEHRIQHSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278638 547138477 /nfs/dbraw/zinc/13/84/77/547138477.db2.gz SUNCQULNCJQMLE-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551492069 547149529 /nfs/dbraw/zinc/14/95/29/547149529.db2.gz LCIMNCXJPAYBHJ-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000552192433 547194483 /nfs/dbraw/zinc/19/44/83/547194483.db2.gz SZKUIYRJMMNOEA-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000552278759 547198221 /nfs/dbraw/zinc/19/82/21/547198221.db2.gz MCSNWSNERBQQJA-JKSUJKDBSA-N 2 0 359.536 0.924 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000552501914 547213212 /nfs/dbraw/zinc/21/32/12/547213212.db2.gz JTAYCWHMUKCOHK-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000552622863 547220202 /nfs/dbraw/zinc/22/02/02/547220202.db2.gz ONSSGYMGHXKSGX-UHFFFAOYSA-N 2 0 356.511 0.261 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000553023439 547246652 /nfs/dbraw/zinc/24/66/52/547246652.db2.gz REMGQYCAJTXKKK-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000553039090 547249093 /nfs/dbraw/zinc/24/90/93/547249093.db2.gz FYUAARCPHGREJX-AWEZNQCLSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553164347 547256624 /nfs/dbraw/zinc/25/66/24/547256624.db2.gz NJHDJUVPPRMJKE-BBWFWOEESA-N 2 0 350.507 0.726 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000553542998 547287109 /nfs/dbraw/zinc/28/71/09/547287109.db2.gz OTTTUWCOGFYXQK-OWCLPIDISA-N 2 0 351.495 0.594 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000553542996 547287166 /nfs/dbraw/zinc/28/71/66/547287166.db2.gz OTTTUWCOGFYXQK-BZUAXINKSA-N 2 0 351.495 0.594 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000553712398 547302278 /nfs/dbraw/zinc/30/22/78/547302278.db2.gz XBSLPQZDKCONPX-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356762 547337307 /nfs/dbraw/zinc/33/73/07/547337307.db2.gz WFSRYXHSJOVMKG-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@]1(O)CCSC1 ZINC000270803047 547390551 /nfs/dbraw/zinc/39/05/51/547390551.db2.gz JXOZYPRYIZEYTN-KRWDZBQOSA-N 2 0 350.488 0.578 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000950256374 674423482 /nfs/dbraw/zinc/42/34/82/674423482.db2.gz WMVDRQQNNYPYDV-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736771020 598519947 /nfs/dbraw/zinc/51/99/47/598519947.db2.gz GVYZGLKTXDBLQD-HNNXBMFYSA-N 2 0 367.461 0.956 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000950986765 674445401 /nfs/dbraw/zinc/44/54/01/674445401.db2.gz GRXMWKOQUWYRRV-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845768 598814215 /nfs/dbraw/zinc/81/42/15/598814215.db2.gz NAIRYVCGMYHSQG-QGZVFWFLSA-N 2 0 369.473 0.853 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000821268444 599403321 /nfs/dbraw/zinc/40/33/21/599403321.db2.gz XKFATJJTOHCGCC-AWEZNQCLSA-N 2 0 359.478 0.991 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000953978639 674487387 /nfs/dbraw/zinc/48/73/87/674487387.db2.gz XGNCSMVWCGOTPV-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954273695 674493477 /nfs/dbraw/zinc/49/34/77/674493477.db2.gz FGJKYZUPLWGNLQ-OIISXLGYSA-N 2 0 350.507 0.869 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000954412749 674496990 /nfs/dbraw/zinc/49/69/90/674496990.db2.gz NEDYVTCQFCMEEZ-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000954413269 674497137 /nfs/dbraw/zinc/49/71/37/674497137.db2.gz XDHCPGNKCAUHOI-BHYGNILZSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000957592517 674546792 /nfs/dbraw/zinc/54/67/92/674546792.db2.gz JBXFATXNNVPDKC-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000989231251 665720873 /nfs/dbraw/zinc/72/08/73/665720873.db2.gz UPQUGONQZWNYFP-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000729617309 665736345 /nfs/dbraw/zinc/73/63/45/665736345.db2.gz ABEFYFGEEAKZFX-WCXIOVBPSA-N 2 0 352.479 0.090 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897593432 665742842 /nfs/dbraw/zinc/74/28/42/665742842.db2.gz HOJBFCADURUZFY-OAHLLOKOSA-N 2 0 351.491 0.809 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899147771 665931025 /nfs/dbraw/zinc/93/10/25/665931025.db2.gz AYGODKDXOMZGAR-KRWDZBQOSA-N 2 0 351.491 0.811 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000969706768 663190354 /nfs/dbraw/zinc/19/03/54/663190354.db2.gz PHMSZEYARZDENL-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001022105145 663404944 /nfs/dbraw/zinc/40/49/44/663404944.db2.gz RFSIDDSLKBFXJZ-WCXIOVBPSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001022109312 663405850 /nfs/dbraw/zinc/40/58/50/663405850.db2.gz KWMCJSKQDGENEL-ZOFXXKQRSA-N 2 0 350.507 0.870 20 0 FCADRP CC1(C)CN(CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000891472615 663408335 /nfs/dbraw/zinc/40/83/35/663408335.db2.gz OALGMRPSHQPJLX-HNNXBMFYSA-N 2 0 354.495 0.555 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495569 663409835 /nfs/dbraw/zinc/40/98/35/663409835.db2.gz ZVNCDOVXYOTSJU-XQLPTFJDSA-N 2 0 353.467 0.293 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000891513855 663410912 /nfs/dbraw/zinc/41/09/12/663410912.db2.gz IALMBCGLEWTSHY-YVECIDJPSA-N 2 0 350.385 0.628 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891536210 663412989 /nfs/dbraw/zinc/41/29/89/663412989.db2.gz PVRGSFSDUKVNLF-HOTGVXAUSA-N 2 0 351.495 0.465 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000891567943 663416019 /nfs/dbraw/zinc/41/60/19/663416019.db2.gz YQZGNPUIMOTJCW-BRWVUGGUSA-N 2 0 353.511 0.210 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCSC1 ZINC000891639871 663421431 /nfs/dbraw/zinc/42/14/31/663421431.db2.gz UYOHRVMSPXBITR-PBHICJAKSA-N 2 0 356.536 0.882 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000891694367 663428024 /nfs/dbraw/zinc/42/80/24/663428024.db2.gz MARMKQBUOFODMP-AEGPPILISA-N 2 0 360.449 0.908 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000933843137 663444098 /nfs/dbraw/zinc/44/40/98/663444098.db2.gz VAZVNXSBSJZBBZ-TVFCKZIOSA-N 2 0 351.491 0.951 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000891968949 663458974 /nfs/dbraw/zinc/45/89/74/663458974.db2.gz ZKMRUCPVIJXWRG-UHFFFAOYSA-N 2 0 351.495 0.644 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000892081829 663474101 /nfs/dbraw/zinc/47/41/01/663474101.db2.gz FJJFXCKVLGTNKL-IAGOWNOFSA-N 2 0 353.511 0.224 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892089008 663474965 /nfs/dbraw/zinc/47/49/65/663474965.db2.gz NYDDZCXDKPVFRR-IXDOHACOSA-N 2 0 353.511 0.352 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000892091464 663475390 /nfs/dbraw/zinc/47/53/90/663475390.db2.gz KUDWZHHBIJNTBD-XQLPTFJDSA-N 2 0 351.451 0.080 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109876 663477674 /nfs/dbraw/zinc/47/76/74/663477674.db2.gz XYZJBQOXWSCTSV-CHWSQXEVSA-N 2 0 351.417 0.735 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892174542 663485384 /nfs/dbraw/zinc/48/53/84/663485384.db2.gz FGIHXFUTROWWBK-IXDOHACOSA-N 2 0 353.511 0.210 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000892263201 663507930 /nfs/dbraw/zinc/50/79/30/663507930.db2.gz LOSJNUSSMVPDFB-MAUKXSAKSA-N 2 0 351.495 0.561 20 0 FCADRP C[C@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000924489528 663611235 /nfs/dbraw/zinc/61/12/35/663611235.db2.gz ALFXVJXTAFYNCS-JKSUJKDBSA-N 2 0 351.495 0.276 20 0 FCADRP CCS(=O)(=O)NC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000903009380 665982614 /nfs/dbraw/zinc/98/26/14/665982614.db2.gz HGSWBASIOMPUSL-UHFFFAOYSA-N 2 0 360.568 0.806 20 0 FCADRP COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000904528679 665990609 /nfs/dbraw/zinc/99/06/09/665990609.db2.gz BPLOEDWQXFZEPE-INIZCTEOSA-N 2 0 350.467 0.992 20 0 FCADRP O=S1(=O)CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000291085667 663855349 /nfs/dbraw/zinc/85/53/49/663855349.db2.gz OIGHQZZWOBNMMW-UHFFFAOYSA-N 2 0 351.516 0.971 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC000972990558 664036904 /nfs/dbraw/zinc/03/69/04/664036904.db2.gz YHKXZBSAHGPTLN-BRWVUGGUSA-N 2 0 350.507 0.728 20 0 FCADRP CN1CCN(C(=O)c2ccc(C[NH2+]C3CC(S(C)(=O)=O)C3)cc2)CC1 ZINC000892582462 664043079 /nfs/dbraw/zinc/04/30/79/664043079.db2.gz HYPBMXDQNATGMW-UHFFFAOYSA-N 2 0 365.499 0.739 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587679 664044291 /nfs/dbraw/zinc/04/42/91/664044291.db2.gz OSGVOMMFUHMRIT-FZKCQIBNSA-N 2 0 351.495 0.546 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000973334084 664100113 /nfs/dbraw/zinc/10/01/13/664100113.db2.gz YDITZKVUEBQRNP-SMLCLMEVSA-N 2 0 350.507 0.964 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892754953 664137682 /nfs/dbraw/zinc/13/76/82/664137682.db2.gz CQPDTWOBXHZGHI-INIZCTEOSA-N 2 0 354.495 0.685 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892773476 664141320 /nfs/dbraw/zinc/14/13/20/664141320.db2.gz FJJXDSLILZIBCS-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000892918463 664154711 /nfs/dbraw/zinc/15/47/11/664154711.db2.gz FLIIMSJDYOUMSP-ZBFHGGJFSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@H]32)O1 ZINC001025818489 664195321 /nfs/dbraw/zinc/19/53/21/664195321.db2.gz WOZYCYXKAOBKNR-HTPGKPQGSA-N 2 0 351.491 0.569 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893232202 664218193 /nfs/dbraw/zinc/21/81/93/664218193.db2.gz JOYTWGJNHDAYAZ-JCYILVPMSA-N 2 0 367.515 0.441 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974186296 664227264 /nfs/dbraw/zinc/22/72/64/664227264.db2.gz HHPFZKCFXJUPGY-NQNKBUKLSA-N 2 0 350.507 0.964 20 0 FCADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000959947574 674603188 /nfs/dbraw/zinc/60/31/88/674603188.db2.gz AUJWQCJILMAPAS-ZBRFXRBCSA-N 2 0 351.491 0.426 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974606713 664268614 /nfs/dbraw/zinc/26/86/14/664268614.db2.gz SRMXRLHFRJJJRI-RBSFLKMASA-N 2 0 351.495 0.178 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)C1 ZINC000976698805 664395546 /nfs/dbraw/zinc/39/55/46/664395546.db2.gz DYJOGBPZIFQWQB-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978990473 664452473 /nfs/dbraw/zinc/45/24/73/664452473.db2.gz UHNWKRNLOXMNCP-NQNKBUKLSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000979887146 664465421 /nfs/dbraw/zinc/46/54/21/664465421.db2.gz UFYFEAINXIZOGQ-OVYGPGRDSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184342 664815563 /nfs/dbraw/zinc/81/55/63/664815563.db2.gz GOAQVMRMWDLMJI-NXHRZFHOSA-N 2 0 353.507 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000981200169 664817758 /nfs/dbraw/zinc/81/77/58/664817758.db2.gz LJEMXSZWHVAFHK-JKSUJKDBSA-N 2 0 351.495 0.276 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778775 664839640 /nfs/dbraw/zinc/83/96/40/664839640.db2.gz PLOISJZMQXCSHE-XHSDSOJGSA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028551889 664902409 /nfs/dbraw/zinc/90/24/09/664902409.db2.gz AVAUJHGBKYSMMW-OWCLPIDISA-N 2 0 351.495 0.180 20 0 FCADRP Cn1cc(CNCC2(O)CC[NH+](C)CC2)c(I)n1 ZINC000894292019 664949389 /nfs/dbraw/zinc/94/93/89/664949389.db2.gz BIHCUNYITUFFRS-UHFFFAOYSA-N 2 0 364.231 0.571 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727084709 665024406 /nfs/dbraw/zinc/02/44/06/665024406.db2.gz JNMYNWWFRUFSKV-UHFFFAOYSA-N 2 0 371.595 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938038514 665312665 /nfs/dbraw/zinc/31/26/65/665312665.db2.gz AACLOGXFGXLVDP-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000989052477 665338041 /nfs/dbraw/zinc/33/80/41/665338041.db2.gz WJHFSDKIBZOGBU-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(NC(=S)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000905556895 666028159 /nfs/dbraw/zinc/02/81/59/666028159.db2.gz ZLJDSCQPZHSSTC-QGZVFWFLSA-N 2 0 369.579 0.341 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221472 666049795 /nfs/dbraw/zinc/04/97/95/666049795.db2.gz HJFITVPKWFZXOT-UHFFFAOYSA-N 2 0 351.495 0.779 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713897 666063464 /nfs/dbraw/zinc/06/34/64/666063464.db2.gz LNJFJLFNDUMJKW-MSOLQXFVSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419160296 674726688 /nfs/dbraw/zinc/72/66/88/674726688.db2.gz YWSHGQKLZSYKKH-APWZRJJASA-N 2 0 350.507 0.825 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911033686 666307187 /nfs/dbraw/zinc/30/71/87/666307187.db2.gz JQUXVUIOVAPLPB-HRCADAONSA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000911079329 666310453 /nfs/dbraw/zinc/31/04/53/666310453.db2.gz XOSCRPUQDFYOEG-CYBMUJFWSA-N 2 0 350.488 0.684 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911161571 666318375 /nfs/dbraw/zinc/31/83/75/666318375.db2.gz LXWLXZDAFYEEPC-WCXIOVBPSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1)[NH+](C)C ZINC000960969388 674729654 /nfs/dbraw/zinc/72/96/54/674729654.db2.gz RWTKODRYAIMODI-FXUDXRNXSA-N 2 0 354.495 0.105 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911336796 666335121 /nfs/dbraw/zinc/33/51/21/666335121.db2.gz NNNWICWKFRSMIH-JKSUJKDBSA-N 2 0 352.479 0.004 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911357401 666339456 /nfs/dbraw/zinc/33/94/56/666339456.db2.gz QGGYJIADSJFCAW-DLBZAZTESA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911561475 666366389 /nfs/dbraw/zinc/36/63/89/666366389.db2.gz HAQDSBWKUORQLJ-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912286886 666398730 /nfs/dbraw/zinc/39/87/30/666398730.db2.gz HNJJRGDTDGLSGF-LJQANCHMSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940310771 666546322 /nfs/dbraw/zinc/54/63/22/666546322.db2.gz IHOILNMELFYROB-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@@H]12 ZINC000991974155 666611206 /nfs/dbraw/zinc/61/12/06/666611206.db2.gz LEKPEZRONXNCHJ-SFNKJDCFSA-N 2 0 351.491 0.999 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)CC[N@@H+]1C ZINC000992399276 666636067 /nfs/dbraw/zinc/63/60/67/666636067.db2.gz HEKASWRXNIQQTM-BBWFWOEESA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000944052570 666824409 /nfs/dbraw/zinc/82/44/09/666824409.db2.gz OAEMWWDXEQCNPS-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000944107911 666830302 /nfs/dbraw/zinc/83/03/02/666830302.db2.gz BXQDFLOYMVRRBR-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993844630 666943408 /nfs/dbraw/zinc/94/34/08/666943408.db2.gz UJRXDYBWGUWWTB-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276473 666959005 /nfs/dbraw/zinc/95/90/05/666959005.db2.gz CYENDMCNCZNBEW-SJORKVTESA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994041153 666959799 /nfs/dbraw/zinc/95/97/99/666959799.db2.gz XSBBQQLYOXSAJD-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000994246705 666993745 /nfs/dbraw/zinc/99/37/45/666993745.db2.gz DZEGHQYJRJRFGZ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916843093 667032713 /nfs/dbraw/zinc/03/27/13/667032713.db2.gz TVHTYJBJCUTVSV-IXDOHACOSA-N 2 0 352.479 0.402 20 0 FCADRP CC(C)N1C(=O)C(=O)N(CN2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000917461611 667074568 /nfs/dbraw/zinc/07/45/68/667074568.db2.gz ZPSIFRCVNHWTDW-UHFFFAOYSA-N 2 0 352.435 0.187 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000997793592 667176628 /nfs/dbraw/zinc/17/66/28/667176628.db2.gz RNZYKDCEOWWLNW-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000751804220 667487684 /nfs/dbraw/zinc/48/76/84/667487684.db2.gz NOWRCGYKRJFCIG-UHFFFAOYSA-N 2 0 357.499 0.741 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001005408314 667739857 /nfs/dbraw/zinc/73/98/57/667739857.db2.gz WUGQYXJGKKBUJS-GDBMZVCRSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ncnn2CCF)CC[N@@H+]1C ZINC001034939860 667772424 /nfs/dbraw/zinc/77/24/24/667772424.db2.gz OXKRTAPTIWBIOT-RBSFLKMASA-N 2 0 352.458 0.668 20 0 FCADRP CCn1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001034971547 667772458 /nfs/dbraw/zinc/77/24/58/667772458.db2.gz PIFQRPLUTSYLSR-FVQBIDKESA-N 2 0 350.467 0.098 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923283066 667821741 /nfs/dbraw/zinc/82/17/41/667821741.db2.gz ZNFBIRXTTXHRIP-KGLIPLIRSA-N 2 0 355.866 0.867 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000923345778 667827167 /nfs/dbraw/zinc/82/71/67/667827167.db2.gz NADDQTMGLWJRHC-GJZGRUSLSA-N 2 0 353.438 0.885 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000946907452 667840463 /nfs/dbraw/zinc/84/04/63/667840463.db2.gz BWOKMPIGXJLSIE-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(CNC(=S)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000760493455 667851464 /nfs/dbraw/zinc/85/14/64/667851464.db2.gz OKVQMTLEPUHJAD-KRWDZBQOSA-N 2 0 353.580 0.915 20 0 FCADRP CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000923582240 667851970 /nfs/dbraw/zinc/85/19/70/667851970.db2.gz KUIXOPCJUMKMRC-KRWDZBQOSA-N 2 0 370.519 0.818 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006187322 667856677 /nfs/dbraw/zinc/85/66/77/667856677.db2.gz OWVRFDMRYCFXKM-SQWLQELKSA-N 2 0 350.507 0.774 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCC(=O)OC)C2CCOCC2)CC1 ZINC000743872108 668053076 /nfs/dbraw/zinc/05/30/76/668053076.db2.gz HYGYXMSZVOZDGZ-UHFFFAOYSA-N 2 0 355.479 0.631 20 0 FCADRP Cn1c(Cl)ncc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000769387741 668128759 /nfs/dbraw/zinc/12/87/59/668128759.db2.gz AXODDZQQMIYAMU-UHFFFAOYSA-N 2 0 365.931 0.968 20 0 FCADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000819058449 668975256 /nfs/dbraw/zinc/97/52/56/668975256.db2.gz LOGRXBZJMSNTGF-CRAIPNDOSA-N 2 0 369.531 0.597 20 0 FCADRP CCOC1CC2(C1)CCN(CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000795721604 669058115 /nfs/dbraw/zinc/05/81/15/669058115.db2.gz UXTIKTYBVUJOHS-UHFFFAOYSA-N 2 0 350.463 0.851 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000822610194 669280958 /nfs/dbraw/zinc/28/09/58/669280958.db2.gz HVAIZQOONFHZKU-QGZVFWFLSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000830509976 669788829 /nfs/dbraw/zinc/78/88/29/669788829.db2.gz DXWDJBRUPWFWGN-MRXNPFEDSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000964507626 675066290 /nfs/dbraw/zinc/06/62/90/675066290.db2.gz SCAOYHHWZMDCDM-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH3+])cc2Cl)CC1 ZINC000841146100 670536822 /nfs/dbraw/zinc/53/68/22/670536822.db2.gz NUPOBKQLAZFHSQ-UHFFFAOYSA-N 2 0 367.881 0.885 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC000842014536 670625835 /nfs/dbraw/zinc/62/58/35/670625835.db2.gz CLNIVPMENDZSKB-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000842087813 670632619 /nfs/dbraw/zinc/63/26/19/670632619.db2.gz FHMCTQAMOPTGJE-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc(F)c1F ZINC000842481868 670693894 /nfs/dbraw/zinc/69/38/94/670693894.db2.gz OAFGLAZSPRNARH-UHFFFAOYSA-N 2 0 365.402 0.440 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000843263027 670790131 /nfs/dbraw/zinc/79/01/31/670790131.db2.gz UHKSPAVWKWIORZ-INIZCTEOSA-N 2 0 354.495 0.193 20 0 FCADRP CC1([NH3+])CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000843375735 670810137 /nfs/dbraw/zinc/81/01/37/670810137.db2.gz HIFCQKZOPLJGPK-UHFFFAOYSA-N 2 0 351.451 0.476 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000843388944 670811545 /nfs/dbraw/zinc/81/15/45/670811545.db2.gz YUAFYJQDBWLEHK-HZPDHXFCSA-N 2 0 352.479 0.609 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000846032412 671071639 /nfs/dbraw/zinc/07/16/39/671071639.db2.gz AAGGTOUAZMKXHC-QLFBSQMISA-N 2 0 354.495 0.851 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000968009367 675177411 /nfs/dbraw/zinc/17/74/11/675177411.db2.gz JLDJTYDSFNNTJF-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849100717 671317609 /nfs/dbraw/zinc/31/76/09/671317609.db2.gz VJAHWRMSLDXJCH-CQSZACIVSA-N 2 0 354.499 0.309 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111978 671318639 /nfs/dbraw/zinc/31/86/39/671318639.db2.gz OIEIKMHWJHRVKM-UHFFFAOYSA-N 2 0 356.515 0.651 20 0 FCADRP C[C@@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000109700596 671423632 /nfs/dbraw/zinc/42/36/32/671423632.db2.gz LJIRCMWEMCADNC-ZNMIVQPWSA-N 2 0 359.536 0.873 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852063884 671484566 /nfs/dbraw/zinc/48/45/66/671484566.db2.gz SZBWARRHIFKCGG-GVDBMIGSSA-N 2 0 352.479 0.402 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000852752886 671523463 /nfs/dbraw/zinc/52/34/63/671523463.db2.gz POXILFLGWSXJFH-MPGHIAIKSA-N 2 0 352.479 0.736 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000857334472 671725226 /nfs/dbraw/zinc/72/52/26/671725226.db2.gz AWKJQDXMNRDRPZ-ROUUACIJSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000903511406 675935919 /nfs/dbraw/zinc/93/59/19/675935919.db2.gz RSABTAKVGCNRGG-UOVPBQLFSA-N 2 0 350.507 0.523 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532423 675939535 /nfs/dbraw/zinc/93/95/35/675939535.db2.gz FZNLTGHBKDDNMP-UHFFFAOYSA-N 2 0 366.531 0.908 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000861767201 671993213 /nfs/dbraw/zinc/99/32/13/671993213.db2.gz LXJDWZSTNBDGLO-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863763597 672151110 /nfs/dbraw/zinc/15/11/10/672151110.db2.gz FYTPLKSNTNUOSV-OAHLLOKOSA-N 2 0 356.511 0.389 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000863764414 672151348 /nfs/dbraw/zinc/15/13/48/672151348.db2.gz UFMUOQHMYOOPBU-HNNXBMFYSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCO)CC1 ZINC001052993106 675990286 /nfs/dbraw/zinc/99/02/86/675990286.db2.gz YUSWUUBDWMDNOK-BGTYHANMSA-N 2 0 351.491 0.543 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/CN1CCOCC1 ZINC000865088935 672225348 /nfs/dbraw/zinc/22/53/48/672225348.db2.gz KLPGXEGWKSRHNJ-JHTBKMLMSA-N 2 0 352.523 0.749 20 0 FCADRP C[C@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)N1CC[NH+](C)CC1 ZINC000870889501 672516911 /nfs/dbraw/zinc/51/69/11/672516911.db2.gz KALCYHFSMQRYGU-CYBMUJFWSA-N 2 0 351.520 0.976 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001050328920 676081777 /nfs/dbraw/zinc/08/17/77/676081777.db2.gz PBEAHFYGDVYERY-WRQOLXDDSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@@H+](CCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000880253441 673183678 /nfs/dbraw/zinc/18/36/78/673183678.db2.gz PSYAJZJLKKYOCF-CALCHBBNSA-N 2 0 352.523 0.901 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)CC1 ZINC000880585724 673201380 /nfs/dbraw/zinc/20/13/80/673201380.db2.gz IXDOVRJSTHAPAK-QGZVFWFLSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001052394276 676122754 /nfs/dbraw/zinc/12/27/54/676122754.db2.gz VSAAPCQBABDQGG-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001052393439 676122957 /nfs/dbraw/zinc/12/29/57/676122957.db2.gz JXWJCLABGMBKEH-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc1Cl ZINC000130532264 673361185 /nfs/dbraw/zinc/36/11/85/673361185.db2.gz HLWCYHSFTXINOZ-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416442 673374269 /nfs/dbraw/zinc/37/42/69/673374269.db2.gz VBIRJHVYRCIUIH-SJORKVTESA-N 2 0 351.491 0.858 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883899933 673402168 /nfs/dbraw/zinc/40/21/68/673402168.db2.gz AQSRONITCBXVKK-HNNXBMFYSA-N 2 0 351.495 0.596 20 0 FCADRP [NH3+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884005628 673409848 /nfs/dbraw/zinc/40/98/48/673409848.db2.gz OPRSWNCRJQUZHD-CQSZACIVSA-N 2 0 355.280 0.860 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H](CC(C)C)[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000884305653 673445135 /nfs/dbraw/zinc/44/51/35/673445135.db2.gz CDPGUNYHSALSJQ-HOTGVXAUSA-N 2 0 361.552 0.978 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884494367 673457246 /nfs/dbraw/zinc/45/72/46/673457246.db2.gz RKJOWIYCBZVYCP-CALCHBBNSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884577901 673463496 /nfs/dbraw/zinc/46/34/96/673463496.db2.gz OGHOASIVFYVTME-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)[NH2+]C1 ZINC000884598099 673464832 /nfs/dbraw/zinc/46/48/32/673464832.db2.gz SPHCEILKLNBOIT-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884603432 673465094 /nfs/dbraw/zinc/46/50/94/673465094.db2.gz JMXRLCGZNOYVIW-SHTZXODSSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C(C)(C)C[NH+](C)C ZINC000884607854 673465426 /nfs/dbraw/zinc/46/54/26/673465426.db2.gz GLMSLPKFXPVZAB-TUAOUCFPSA-N 2 0 366.428 0.675 20 0 FCADRP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1(C[NH3+])CCCCC1 ZINC000884612107 673465994 /nfs/dbraw/zinc/46/59/94/673465994.db2.gz DGGYWLQVFQPNSR-QGZVFWFLSA-N 2 0 356.536 0.660 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612498 673466039 /nfs/dbraw/zinc/46/60/39/673466039.db2.gz MSTXPVVHFSNJHU-DYVFJYSZSA-N 2 0 356.536 0.434 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1=CC[N@H+](C)CC1 ZINC000884623719 673466983 /nfs/dbraw/zinc/46/69/83/673466983.db2.gz MLRZNMMQSPMKCH-NSHDSACASA-N 2 0 363.487 0.253 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000884631479 673468045 /nfs/dbraw/zinc/46/80/45/673468045.db2.gz LRKOBSNBOPMSBH-JHJVBQTASA-N 2 0 362.396 0.183 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884664670 673470598 /nfs/dbraw/zinc/47/05/98/673470598.db2.gz RPRDFGWIGAEPMW-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CCN(C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000884661457 673470716 /nfs/dbraw/zinc/47/07/16/673470716.db2.gz RRWKVHWURKLODB-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884716884 673476189 /nfs/dbraw/zinc/47/61/89/673476189.db2.gz LNLVJGNMMFINIO-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884786338 673482388 /nfs/dbraw/zinc/48/23/88/673482388.db2.gz OCTIWDCXWLFYAO-UONOGXRCSA-N 2 0 360.449 0.584 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878944 673487873 /nfs/dbraw/zinc/48/78/73/673487873.db2.gz OEPBZDKAUAKANA-HOTGVXAUSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884881838 673488725 /nfs/dbraw/zinc/48/87/25/673488725.db2.gz KFNMCMCBWLGXGR-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000884973799 673494745 /nfs/dbraw/zinc/49/47/45/673494745.db2.gz GHLUMSMDPGNRPX-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000884975598 673494959 /nfs/dbraw/zinc/49/49/59/673494959.db2.gz DVTUNSNSAGFNTI-CALCHBBNSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884975725 673495051 /nfs/dbraw/zinc/49/50/51/673495051.db2.gz GPQZIEWBNBRSRG-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCCC1 ZINC000885275356 673511052 /nfs/dbraw/zinc/51/10/52/673511052.db2.gz CXQAYPWZKSIVKJ-KGLIPLIRSA-N 2 0 360.449 0.586 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000885275427 673511070 /nfs/dbraw/zinc/51/10/70/673511070.db2.gz FCSHOMGZZQYXIA-UONOGXRCSA-N 2 0 358.433 0.434 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCCC1 ZINC000885275357 673511132 /nfs/dbraw/zinc/51/11/32/673511132.db2.gz CXQAYPWZKSIVKJ-UONOGXRCSA-N 2 0 360.449 0.586 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000887064795 673617721 /nfs/dbraw/zinc/61/77/21/673617721.db2.gz PLXWHFZIJRXCMN-HNNXBMFYSA-N 2 0 352.479 0.040 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000887064648 673617810 /nfs/dbraw/zinc/61/78/10/673617810.db2.gz MFKIQEFTHZJLCS-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887080613 673620752 /nfs/dbraw/zinc/62/07/52/673620752.db2.gz BLVUVECPQIYIDS-IBGZPJMESA-N 2 0 350.507 0.923 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887082889 673621138 /nfs/dbraw/zinc/62/11/38/673621138.db2.gz JPPNUPDNDGMAGR-LPHOPBHVSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000924383670 673751544 /nfs/dbraw/zinc/75/15/44/673751544.db2.gz IUXASWDMVIEVJK-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)C2 ZINC000926193483 673816057 /nfs/dbraw/zinc/81/60/57/673816057.db2.gz QWOWSWKRHSYGBU-VXNCWWDNSA-N 2 0 352.523 0.076 20 0 FCADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926355918 673826274 /nfs/dbraw/zinc/82/62/74/673826274.db2.gz BLEXOYGUJVMDBJ-HNNXBMFYSA-N 2 0 360.568 0.662 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926405441 673830507 /nfs/dbraw/zinc/83/05/07/673830507.db2.gz OPYMMSGMUJTYOM-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929189492 673942574 /nfs/dbraw/zinc/94/25/74/673942574.db2.gz QFOQSGKELIZGHX-UONOGXRCSA-N 2 0 350.488 0.822 20 0 FCADRP CN1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000930176191 674003852 /nfs/dbraw/zinc/00/38/52/674003852.db2.gz DJEUWRPYBFZQTQ-OAHLLOKOSA-N 2 0 368.547 0.675 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NC2CC2)CC[N@@H+]1C ZINC000968866991 675242091 /nfs/dbraw/zinc/24/20/91/675242091.db2.gz PUDYFAKSVCFMLW-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC[N@@H+]1C ZINC001011211422 675377413 /nfs/dbraw/zinc/37/74/13/675377413.db2.gz WZOKFVQZZPLOKR-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001014504120 675391449 /nfs/dbraw/zinc/39/14/49/675391449.db2.gz UWYNBXSZCOCJHX-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001020171125 675436240 /nfs/dbraw/zinc/43/62/40/675436240.db2.gz OQQJUGQSVDDXJT-BQJWPVKWSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NC)C3)CC[N@@H+]1C ZINC001040209541 675460136 /nfs/dbraw/zinc/46/01/36/675460136.db2.gz KBNJLCQOQKFEGF-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001045443962 675653859 /nfs/dbraw/zinc/65/38/59/675653859.db2.gz ACEXSPXPDLELQA-ARFHVFGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602267 675698831 /nfs/dbraw/zinc/69/88/31/675698831.db2.gz PLYVXVIHMHFWCL-QZTJIDSGSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000900805742 675718294 /nfs/dbraw/zinc/71/82/94/675718294.db2.gz QERVLAMKDXAPRT-DLBZAZTESA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000900953766 675734485 /nfs/dbraw/zinc/73/44/85/675734485.db2.gz DZGDUVYWOCKVJJ-UHFFFAOYSA-N 2 0 353.555 0.545 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528366 675859610 /nfs/dbraw/zinc/85/96/10/675859610.db2.gz VYEVAWTZYJVOGA-PHPOFCCKSA-N 2 0 350.507 0.820 20 0 FCADRP c1cn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c([C@@H]2CCC[NH2+]C2)n1 ZINC001167055633 1167822820 /nfs/dbraw/zinc/82/28/20/1167822820.db2.gz KCPRQRUYEZHXQH-CYBMUJFWSA-N 2 0 355.446 0.569 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969512681 1167999120 /nfs/dbraw/zinc/99/91/20/1167999120.db2.gz VSNTVFJZRPETDC-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)c(C)n1 ZINC000969601923 1168023654 /nfs/dbraw/zinc/02/36/54/1168023654.db2.gz WKHDSHTVNCBWJF-OAGGEKHMSA-N 2 0 360.458 0.260 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020603795 1168148599 /nfs/dbraw/zinc/14/85/99/1168148599.db2.gz MTLGVXOHGQEPTI-AAVRWANBSA-N 2 0 371.445 0.082 20 0 FCADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092531 1168162125 /nfs/dbraw/zinc/16/21/25/1168162125.db2.gz HESHPRPWFRWPGE-SJORKVTESA-N 2 0 356.474 0.756 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001021240597 1168855819 /nfs/dbraw/zinc/85/58/19/1168855819.db2.gz LWJYOVBEPVSPSC-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001671298339 1169371385 /nfs/dbraw/zinc/37/13/85/1169371385.db2.gz QHUJDEVGXUJQKM-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001021707943 1169905717 /nfs/dbraw/zinc/90/57/17/1169905717.db2.gz SAPDBXFHMPHNMI-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001021712183 1169915129 /nfs/dbraw/zinc/91/51/29/1169915129.db2.gz JRWCSQVCKXZZID-HYVNUMGLSA-N 2 0 359.474 0.593 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC001021805828 1170081460 /nfs/dbraw/zinc/08/14/60/1170081460.db2.gz ACWMQGPXOYKUPA-WNRNVDISSA-N 2 0 374.529 0.872 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375081 1170159347 /nfs/dbraw/zinc/15/93/47/1170159347.db2.gz NBCKSQCANRCDNC-NPJQDHAYSA-N 2 0 363.462 0.190 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104354265 1170345512 /nfs/dbraw/zinc/34/55/12/1170345512.db2.gz YDWCTYPNAFUZCS-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@@H+]1C ZINC001022103996 1170657488 /nfs/dbraw/zinc/65/74/88/1170657488.db2.gz QTCCJUJUHPPULO-PNBKFKSVSA-N 2 0 369.473 0.739 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(=O)n4[n-]ccc4n3)C2)CC[N@@H+]1C ZINC001022104803 1170658803 /nfs/dbraw/zinc/65/88/03/1170658803.db2.gz CYRFJAYRTGEDRG-GUIRCDHDSA-N 2 0 358.446 0.100 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104367602 1170661000 /nfs/dbraw/zinc/66/10/00/1170661000.db2.gz ZTTMNXCVFVBIRO-OAGGEKHMSA-N 2 0 361.490 0.608 20 0 FCADRP COCCC1(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[NH2+]CC1 ZINC000891695278 1170819743 /nfs/dbraw/zinc/81/97/43/1170819743.db2.gz XEKZUCDLSOBSNW-DLBZAZTESA-N 2 0 368.522 0.822 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022313355 1170848663 /nfs/dbraw/zinc/84/86/63/1170848663.db2.gz PDJSSAVTBIULCE-GOEBONIOSA-N 2 0 357.458 0.416 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691223633 1170866191 /nfs/dbraw/zinc/86/61/91/1170866191.db2.gz MJUAVDNMRMNNPD-ZNMIVQPWSA-N 2 0 367.494 0.189 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691244890 1170885003 /nfs/dbraw/zinc/88/50/03/1170885003.db2.gz FKJHDYPRZXXXLW-ZQDZILKHSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001691268304 1171003113 /nfs/dbraw/zinc/00/31/13/1171003113.db2.gz JRVVGRZNDRVMML-SOUVJXGZSA-N 2 0 367.519 0.881 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cncs2)cn1 ZINC001691283642 1171032146 /nfs/dbraw/zinc/03/21/46/1171032146.db2.gz JBMHATDLVCBGOQ-JKSUJKDBSA-N 2 0 362.503 0.913 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000891880684 1171039221 /nfs/dbraw/zinc/03/92/21/1171039221.db2.gz MCQSIYVSESADFR-INIZCTEOSA-N 2 0 367.538 0.470 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001691330132 1171116195 /nfs/dbraw/zinc/11/61/95/1171116195.db2.gz FLEHCTRLVQCDFL-HUUCEWRRSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001691362243 1171206122 /nfs/dbraw/zinc/20/61/22/1171206122.db2.gz HLTXKRZTINGUIQ-YCPHGPKFSA-N 2 0 370.457 0.971 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001691384598 1171253326 /nfs/dbraw/zinc/25/33/26/1171253326.db2.gz YCBOIFZGTFNDEC-KFWWJZLASA-N 2 0 369.510 0.387 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1)OC ZINC001083236009 1171545474 /nfs/dbraw/zinc/54/54/74/1171545474.db2.gz HBRIHIKDIDVEBR-RYQLBKOJSA-N 2 0 369.506 0.434 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000892093962 1171573935 /nfs/dbraw/zinc/57/39/35/1171573935.db2.gz XZGKQVJMPNUZHX-ZWKOTPCHSA-N 2 0 367.538 0.600 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022719754 1171811388 /nfs/dbraw/zinc/81/13/88/1171811388.db2.gz BHOZCYMLENRYMP-RYQLBKOJSA-N 2 0 362.518 0.729 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC001022725691 1171822560 /nfs/dbraw/zinc/82/25/60/1171822560.db2.gz XAGBAXHNFBSGLT-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892262930 1171847429 /nfs/dbraw/zinc/84/74/29/1171847429.db2.gz JHDAYKCGVZAPDH-ACHSLPGTSA-N 2 0 365.522 0.807 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC000972257823 1171892961 /nfs/dbraw/zinc/89/29/61/1171892961.db2.gz VQBQLNTXCRMYRI-BRWVUGGUSA-N 2 0 359.474 0.735 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892275609 1171957068 /nfs/dbraw/zinc/95/70/68/1171957068.db2.gz YYFTVEAYABOEET-IAGOWNOFSA-N 2 0 365.522 0.367 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248278 1172002460 /nfs/dbraw/zinc/00/24/60/1172002460.db2.gz YQAYLDRXQWDELZ-BPQIPLTHSA-N 2 0 361.490 0.216 20 0 FCADRP Cn1cncc1CC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001083248559 1172008632 /nfs/dbraw/zinc/00/86/32/1172008632.db2.gz MUHCBBSFWYEVJP-OKZBNKHCSA-N 2 0 362.474 0.833 20 0 FCADRP O=C(N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249433 1172021809 /nfs/dbraw/zinc/02/18/09/1172021809.db2.gz FBTFGIOKQCLINI-ZWKOTPCHSA-N 2 0 363.502 0.811 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000972417698 1172100893 /nfs/dbraw/zinc/10/08/93/1172100893.db2.gz IDOADQGEJZEKNH-VDHUWJSZSA-N 2 0 362.518 0.728 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989034404 1192632020 /nfs/dbraw/zinc/63/20/20/1192632020.db2.gz BYVZJWJYWATGJH-TWMKSMIVSA-N 2 0 368.522 0.399 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000989065003 1192669101 /nfs/dbraw/zinc/66/91/01/1192669101.db2.gz MFPRTRVSZAWSLW-OIISXLGYSA-N 2 0 360.502 0.530 20 0 FCADRP CN(CCCF)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000897617442 1192834663 /nfs/dbraw/zinc/83/46/63/1192834663.db2.gz PUSHBTDGJGPELX-UHFFFAOYSA-N 2 0 365.453 0.528 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000897669441 1192840473 /nfs/dbraw/zinc/84/04/73/1192840473.db2.gz UQTBWLGQSOYNQG-DOTOQJQBSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898005881 1192853556 /nfs/dbraw/zinc/85/35/56/1192853556.db2.gz KVDNNSFZTLMYMB-IIDMSEBBSA-N 2 0 371.485 0.718 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000898069730 1192856594 /nfs/dbraw/zinc/85/65/94/1192856594.db2.gz VDRGOOSMXSYEFA-IRXDYDNUSA-N 2 0 373.501 0.967 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000898129010 1192859177 /nfs/dbraw/zinc/85/91/77/1192859177.db2.gz XLDKRAMZYLXTQH-HZPDHXFCSA-N 2 0 359.474 0.719 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842038415 1192862220 /nfs/dbraw/zinc/86/22/20/1192862220.db2.gz OANCEAVZFNLOQE-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001691570556 1192887233 /nfs/dbraw/zinc/88/72/33/1192887233.db2.gz JQECQGMYFGOTOR-FGTMMUONSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000427030277 1178880177 /nfs/dbraw/zinc/88/01/77/1178880177.db2.gz YHCFESDPPBGHMZ-AWEZNQCLSA-N 2 0 364.494 0.357 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001211603601 1179730973 /nfs/dbraw/zinc/73/09/73/1179730973.db2.gz MIQPTWSWAMZINJ-OQIJWPOYSA-N 2 0 372.513 0.999 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CC1 ZINC000972644726 1180165457 /nfs/dbraw/zinc/16/54/57/1180165457.db2.gz QTPNIOYZRVOTNI-BRWVUGGUSA-N 2 0 360.502 0.482 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[NH2+]C1 ZINC000892384813 1180181747 /nfs/dbraw/zinc/18/17/47/1180181747.db2.gz PMUVUXZYGFEAKP-HOTGVXAUSA-N 2 0 365.522 0.618 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC001023797133 1180329772 /nfs/dbraw/zinc/32/97/72/1180329772.db2.gz VTQXDDUMBDIGEM-GVDBMIGSSA-N 2 0 366.506 0.035 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2(C[NH+](C)C)CC2)C3)nn1 ZINC001112518342 1180836058 /nfs/dbraw/zinc/83/60/58/1180836058.db2.gz DNRUBTHGCJUVPE-KXBFYZLASA-N 2 0 360.506 0.875 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000892456230 1181052520 /nfs/dbraw/zinc/05/25/20/1181052520.db2.gz WXHHFLXBIMGWEI-HITAIPBASA-N 2 0 363.506 0.642 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCN2CCCC2=O)O1 ZINC001024505485 1181258793 /nfs/dbraw/zinc/25/87/93/1181258793.db2.gz DVKXOOUANYEZIT-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024864109 1181703819 /nfs/dbraw/zinc/70/38/19/1181703819.db2.gz NBWASZIFIVJMFZ-IAOVAPTHSA-N 2 0 371.441 0.120 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)C2)C1 ZINC000892520712 1181713668 /nfs/dbraw/zinc/71/36/68/1181713668.db2.gz RYXQHOMMHSOYEP-LJQANCHMSA-N 2 0 369.473 0.963 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000947251704 1181838192 /nfs/dbraw/zinc/83/81/92/1181838192.db2.gz XZWOGZVUNRQZBU-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC1 ZINC000972990041 1181851210 /nfs/dbraw/zinc/85/12/10/1181851210.db2.gz NVULSESRPSGVIQ-QZTJIDSGSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972990572 1181852316 /nfs/dbraw/zinc/85/23/16/1181852316.db2.gz YUDSYHARBUDDPU-VDHUWJSZSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104595070 1182259367 /nfs/dbraw/zinc/25/93/67/1182259367.db2.gz IYOUMMKYRSWLJC-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599803 1182268675 /nfs/dbraw/zinc/26/86/75/1182268675.db2.gz FUHKELUMUGOGBW-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621192 1182289989 /nfs/dbraw/zinc/28/99/89/1182289989.db2.gz BTMHCVQXUOYMNU-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001104641337 1182326187 /nfs/dbraw/zinc/32/61/87/1182326187.db2.gz LUKOIBNMNBZZOE-BRWVUGGUSA-N 2 0 367.538 0.672 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104699353 1182379599 /nfs/dbraw/zinc/37/95/99/1182379599.db2.gz OSACVSAZQOWHPZ-MUIFIZLQSA-N 2 0 371.489 0.927 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000973550417 1182380877 /nfs/dbraw/zinc/38/08/77/1182380877.db2.gz KTFZDYLTEXOUPJ-OXGONZEZSA-N 2 0 359.474 0.629 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000892774679 1182498770 /nfs/dbraw/zinc/49/87/70/1182498770.db2.gz UNVLZJHJNFRIOR-DLBZAZTESA-N 2 0 366.506 0.509 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789600 1182507429 /nfs/dbraw/zinc/50/74/29/1182507429.db2.gz QSPLEWHITACAAC-IRXDYDNUSA-N 2 0 359.474 0.197 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001112522908 1182624480 /nfs/dbraw/zinc/62/44/80/1182624480.db2.gz UBBZSEZVHUUCKY-KXBFYZLASA-N 2 0 364.490 0.305 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC[C@H]4C)C[C@H]32)CC[N@@H+]1C ZINC001025793292 1182844932 /nfs/dbraw/zinc/84/49/32/1182844932.db2.gz DIFDGGPZDMRGFS-CFHZMDMSSA-N 2 0 362.518 0.774 20 0 FCADRP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001025818273 1182859414 /nfs/dbraw/zinc/85/94/14/1182859414.db2.gz NCQFAMYOBHAPNX-GKJLGGESSA-N 2 0 359.474 0.612 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104895859 1182984145 /nfs/dbraw/zinc/98/41/45/1182984145.db2.gz GBPXQKIKOPIGMV-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001104908165 1182990448 /nfs/dbraw/zinc/99/04/48/1182990448.db2.gz MBYOSIOHMAOCJY-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104911562 1182990898 /nfs/dbraw/zinc/99/08/98/1182990898.db2.gz AIDBWEJUENJATH-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001104908231 1182991090 /nfs/dbraw/zinc/99/10/90/1182991090.db2.gz OBSUKNUJEZKAHN-ZACQAIPSSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104908128 1182991390 /nfs/dbraw/zinc/99/13/90/1182991390.db2.gz KMASUJADFRKOOP-IAGOWNOFSA-N 2 0 365.522 0.615 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104932905 1183006727 /nfs/dbraw/zinc/00/67/27/1183006727.db2.gz VCKMIQQDQPMPEY-BZUAXINKSA-N 2 0 366.506 0.598 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1 ZINC001104938625 1183012672 /nfs/dbraw/zinc/01/26/72/1183012672.db2.gz YGXSJNFOUWOIDL-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014483 1183068646 /nfs/dbraw/zinc/06/86/46/1183068646.db2.gz RSTRHOBTNFLTMR-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC001105014526 1183068902 /nfs/dbraw/zinc/06/89/02/1183068902.db2.gz ULXGAZKWOHXKOH-KURKYZTESA-N 2 0 363.506 0.414 20 0 FCADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001105042579 1183089330 /nfs/dbraw/zinc/08/93/30/1183089330.db2.gz XPPJPFDMYBGOPE-INMHGKMJSA-N 2 0 364.494 0.110 20 0 FCADRP O=C(N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000974582634 1183361368 /nfs/dbraw/zinc/36/13/68/1183361368.db2.gz AWOCMSYHBRMZPR-HZPDHXFCSA-N 2 0 358.486 0.237 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001026856287 1183426696 /nfs/dbraw/zinc/42/66/96/1183426696.db2.gz XATPEJUUENKHIK-OWCLPIDISA-N 2 0 366.485 0.916 20 0 FCADRP CCCc1nc(CNC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)no1 ZINC001026916499 1183490541 /nfs/dbraw/zinc/49/05/41/1183490541.db2.gz INFWLGPUVMKNCD-QLFBSQMISA-N 2 0 365.478 0.679 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1)C(N)=O ZINC001211661500 1183724897 /nfs/dbraw/zinc/72/48/97/1183724897.db2.gz AYVTYOCYOZILTD-HYVNUMGLSA-N 2 0 358.486 0.786 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000975414807 1183860032 /nfs/dbraw/zinc/86/00/32/1183860032.db2.gz RASSOKMHOMCBOY-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975620086 1183956588 /nfs/dbraw/zinc/95/65/88/1183956588.db2.gz KSWJJTXUDKCTSC-ULQDDVLXSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000975816051 1185808882 /nfs/dbraw/zinc/80/88/82/1185808882.db2.gz KUYCHBSQLFSGSK-BZSNNMDCSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)CC[N@@H+]1C ZINC000975817870 1185810429 /nfs/dbraw/zinc/81/04/29/1185810429.db2.gz AQLCQOKXSAUITC-XDNAFOTISA-N 2 0 374.529 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCN(C)C2=O)C3)CC[N@@H+]1C ZINC000981778318 1186519442 /nfs/dbraw/zinc/51/94/42/1186519442.db2.gz HKHXOLZBNCXUTP-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncc(C)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC001167895073 1186687154 /nfs/dbraw/zinc/68/71/54/1186687154.db2.gz DAPQXXWUBUNDLB-QLFBSQMISA-N 2 0 364.446 0.558 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)NC4CC4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283666 1186698321 /nfs/dbraw/zinc/69/83/21/1186698321.db2.gz WNVFOQBFJHIUSD-FCNFAXOHSA-N 2 0 362.518 0.776 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720513 1187466265 /nfs/dbraw/zinc/46/62/65/1187466265.db2.gz JXAAOGNSEVPQID-FGTMMUONSA-N 2 0 358.486 0.658 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001028552076 1187604423 /nfs/dbraw/zinc/60/44/23/1187604423.db2.gz FVGLVANAIVUVAE-SOUVJXGZSA-N 2 0 363.462 0.782 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000983037054 1187819063 /nfs/dbraw/zinc/81/90/63/1187819063.db2.gz HPQBNVNFAYAUQC-QBPKDAKJSA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423242675 1187851353 /nfs/dbraw/zinc/85/13/53/1187851353.db2.gz FNZZBQGPEZZLIO-IRXDYDNUSA-N 2 0 368.522 0.389 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)C[NH+]2CCCCC2)C3)CC1 ZINC001270062599 1187984145 /nfs/dbraw/zinc/98/41/45/1187984145.db2.gz ZTFORCHKCHAXHN-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001270062008 1187986690 /nfs/dbraw/zinc/98/66/90/1187986690.db2.gz USCBFOIBMDZLPV-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP Cn1cncc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001270333780 1188098178 /nfs/dbraw/zinc/09/81/78/1188098178.db2.gz WBLHSSWCWOTMNQ-BEFAXECRSA-N 2 0 359.474 0.855 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332611 1188101524 /nfs/dbraw/zinc/10/15/24/1188101524.db2.gz KMGKVLBJBZNPNV-KXBFYZLASA-N 2 0 364.490 0.258 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)[NH+]1CCCC1 ZINC001270491753 1188173036 /nfs/dbraw/zinc/17/30/36/1188173036.db2.gz XLEWSCBUQMTSDG-KXBFYZLASA-N 2 0 364.490 0.400 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469621 1188212230 /nfs/dbraw/zinc/21/22/30/1188212230.db2.gz NKIIFECLXXHARI-DJIMGWMZSA-N 2 0 362.449 0.537 20 0 FCADRP CCOC1CC(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)(N2CCOCC2)C1 ZINC000894463952 1188220302 /nfs/dbraw/zinc/22/03/02/1188220302.db2.gz BMCDSGJYGNJQAU-WPZCVXBKSA-N 2 0 366.506 0.602 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095014 1188223101 /nfs/dbraw/zinc/22/31/01/1188223101.db2.gz HXGKMOXMIHZLLU-DLBZAZTESA-N 2 0 368.522 0.260 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001270667347 1188246899 /nfs/dbraw/zinc/24/68/99/1188246899.db2.gz KVRRUPANEZHTBD-FHWLQOOXSA-N 2 0 360.502 0.802 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[NH+](C)C[C@@H]3C1)C2 ZINC000894788673 1188250762 /nfs/dbraw/zinc/25/07/62/1188250762.db2.gz VYZOOLDZJZOIAR-DJSILETISA-N 2 0 363.506 0.273 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983676811 1188255313 /nfs/dbraw/zinc/25/53/13/1188255313.db2.gz ZBTNQZCAJWUNLE-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372051 1188343032 /nfs/dbraw/zinc/34/30/32/1188343032.db2.gz DVROGEPYJOXRSC-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NC1CCCCC1)NC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262118851 1188411730 /nfs/dbraw/zinc/41/17/30/1188411730.db2.gz NEGDFSZLTCRKHE-UHFFFAOYSA-N 2 0 365.522 0.905 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001029313561 1189374220 /nfs/dbraw/zinc/37/42/20/1189374220.db2.gz GAUGAVYNQAZDEE-UYTYNIKBSA-N 2 0 361.490 0.259 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CCc1cnn(CC)c1 ZINC001087529646 1189383499 /nfs/dbraw/zinc/38/34/99/1189383499.db2.gz OMYYDYDOGULNFX-RCCFBDPRSA-N 2 0 363.506 0.745 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550458519 1189504079 /nfs/dbraw/zinc/50/40/79/1189504079.db2.gz ZDFDIAFVCJANNB-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000895333998 1189836226 /nfs/dbraw/zinc/83/62/26/1189836226.db2.gz NUEJZDYLILEHKM-KRWDZBQOSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895851934 1189887744 /nfs/dbraw/zinc/88/77/44/1189887744.db2.gz ZVHGOCDERJUIFW-KZNAEPCWSA-N 2 0 366.506 0.480 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908684 1189894293 /nfs/dbraw/zinc/89/42/93/1189894293.db2.gz KHHAAIDRIVSRNV-SOLBZPMBSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908956 1189895326 /nfs/dbraw/zinc/89/53/26/1189895326.db2.gz UEHBWNPHHVMVEY-PMPSAXMXSA-N 2 0 362.474 0.010 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963794 1190008810 /nfs/dbraw/zinc/00/88/10/1190008810.db2.gz IDBLFSQQUKEUJU-RYRKJORJSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467453 1190062310 /nfs/dbraw/zinc/06/23/10/1190062310.db2.gz DGOIWCWVXOQYBR-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994794 1190148600 /nfs/dbraw/zinc/14/86/00/1190148600.db2.gz CISSJCAJQOCIKN-XHSDSOJGSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999227 1190169332 /nfs/dbraw/zinc/16/93/32/1190169332.db2.gz BVAYPLHOMHWTNW-FGTMMUONSA-N 2 0 360.506 0.933 20 0 FCADRP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896989511 1190668159 /nfs/dbraw/zinc/66/81/59/1190668159.db2.gz UJSKPCDIPLDSQI-LJQANCHMSA-N 2 0 364.534 0.724 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059679353 1190870441 /nfs/dbraw/zinc/87/04/41/1190870441.db2.gz HFRATHDASNEVRU-DJIMGWMZSA-N 2 0 361.490 0.887 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1 ZINC000986125306 1190898653 /nfs/dbraw/zinc/89/86/53/1190898653.db2.gz AROZFPLJZUXBHI-SQNIBIBYSA-N 2 0 362.518 0.587 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986259441 1190935850 /nfs/dbraw/zinc/93/58/50/1190935850.db2.gz AJWLZLAQZPNKKE-XDNAFOTISA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CCc1nnn(C(C)(C)C)n1 ZINC001088493351 1191008040 /nfs/dbraw/zinc/00/80/40/1191008040.db2.gz IIZJYMQSBQNPHY-QLFBSQMISA-N 2 0 363.510 0.644 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000897389232 1191047898 /nfs/dbraw/zinc/04/78/98/1191047898.db2.gz IPSYGTMZSNOQGQ-OAHLLOKOSA-N 2 0 371.485 0.862 20 0 FCADRP C[C@@H]1CN(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000729604982 1191119590 /nfs/dbraw/zinc/11/95/90/1191119590.db2.gz DNBMSYWWFKZGDK-QGZVFWFLSA-N 2 0 368.522 0.851 20 0 FCADRP COC(=O)C1=C[C@H](OCCN2CC[NH2+]CC2)C[N@H+](Cc2ccccc2)C1 ZINC001217929601 1224132686 /nfs/dbraw/zinc/13/26/86/1224132686.db2.gz HPSDMLQIIQYOAR-IBGZPJMESA-N 2 0 359.470 0.892 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000897476189 1191215054 /nfs/dbraw/zinc/21/50/54/1191215054.db2.gz MJRMGBYDLFQHKP-INIZCTEOSA-N 2 0 365.522 0.666 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1)C(N)=O ZINC001218036402 1224136349 /nfs/dbraw/zinc/13/63/49/1224136349.db2.gz NHFXJSHYOPUQMD-IKGGRYGDSA-N 2 0 362.474 0.313 20 0 FCADRP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162012 1224144254 /nfs/dbraw/zinc/14/42/54/1224144254.db2.gz LIEMVFSSPMEYAY-XMTFNYHQSA-N 2 0 369.506 0.434 20 0 FCADRP CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001276786277 1224162294 /nfs/dbraw/zinc/16/22/94/1224162294.db2.gz GUVMJPVPWGGCMR-UHFFFAOYSA-N 2 0 359.474 0.774 20 0 FCADRP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001691584523 1193739311 /nfs/dbraw/zinc/73/93/11/1193739311.db2.gz FQKZEETVZJMIKC-IKGGRYGDSA-N 2 0 350.507 0.635 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550712191 1193739380 /nfs/dbraw/zinc/73/93/80/1193739380.db2.gz LMQYEZRTLRYWAW-UHFFFAOYSA-N 2 0 366.506 0.347 20 0 FCADRP CCOC(=O)c1ncn2c1cccc2NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218534854 1224168380 /nfs/dbraw/zinc/16/83/80/1224168380.db2.gz YIUAGNFYYJOJEW-ZDUSSCGKSA-N 2 0 374.445 0.200 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)[C@H]2C1 ZINC001218535631 1224168566 /nfs/dbraw/zinc/16/85/66/1224168566.db2.gz CROGCOCAGAMHHK-BPQIPLTHSA-N 2 0 362.474 0.702 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218535660 1224169852 /nfs/dbraw/zinc/16/98/52/1224169852.db2.gz ZDBAPYRPCHPPAK-JSGCOSHPSA-N 2 0 373.482 0.584 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550881126 1193817199 /nfs/dbraw/zinc/81/71/99/1193817199.db2.gz VOXJKJXSPNEXIM-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP Cc1ccc2c(n[nH]c2NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218543200 1224170689 /nfs/dbraw/zinc/17/06/89/1224170689.db2.gz QQQWBLGKARGERT-KBPBESRZSA-N 2 0 373.461 0.652 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)cn1 ZINC001218550587 1224171705 /nfs/dbraw/zinc/17/17/05/1224171705.db2.gz FXLKKAVXWVHWTQ-ZWKOTPCHSA-N 2 0 363.506 0.699 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105651194 1193855460 /nfs/dbraw/zinc/85/54/60/1193855460.db2.gz FHSJBIVXDUDILP-WOCWXWTJSA-N 2 0 367.534 0.941 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088748681 1193882616 /nfs/dbraw/zinc/88/26/16/1193882616.db2.gz QSICZYXIVJJKJB-DOMZBBRYSA-N 2 0 370.413 0.079 20 0 FCADRP Cc1cnc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756961 1193890727 /nfs/dbraw/zinc/89/07/27/1193890727.db2.gz BNNLALJEZLBIBJ-ADVWOHTOSA-N 2 0 371.485 0.727 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000552630888 1193944630 /nfs/dbraw/zinc/94/46/30/1193944630.db2.gz KSGBCAFHSNWJDB-KRWDZBQOSA-N 2 0 366.506 0.015 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105668617 1193953389 /nfs/dbraw/zinc/95/33/89/1193953389.db2.gz XZSMQCHDSNDAIR-LTDCPUDJSA-N 2 0 368.522 0.170 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075995105 1193953741 /nfs/dbraw/zinc/95/37/41/1193953741.db2.gz ZGVLDJJXHBLWFJ-NUEKZKHPSA-N 2 0 367.409 0.286 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000552907342 1193958136 /nfs/dbraw/zinc/95/81/36/1193958136.db2.gz CBOKOINCSKWPHT-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP Nc1ccnc(-c2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccn2)c1 ZINC001218612810 1224181869 /nfs/dbraw/zinc/18/18/69/1224181869.db2.gz GWOYDLZGPHUCNM-OAHLLOKOSA-N 2 0 355.446 0.415 20 0 FCADRP Cc1nc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc(N2CCOCC2)n1 ZINC001218619208 1224183380 /nfs/dbraw/zinc/18/33/80/1224183380.db2.gz BJIQKWZPHIUQLY-AWEZNQCLSA-N 2 0 360.462 0.434 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000553366016 1193992609 /nfs/dbraw/zinc/99/26/09/1193992609.db2.gz FEBPLJUHMOCGAU-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c2c1CCCC2 ZINC001218629790 1224185647 /nfs/dbraw/zinc/18/56/47/1224185647.db2.gz FUGJVUQMCCMRNW-ZFWWWQNUSA-N 2 0 362.478 0.674 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000553735203 1194018493 /nfs/dbraw/zinc/01/84/93/1194018493.db2.gz QSQULYPCYSZQKP-QGZVFWFLSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001218642172 1224187851 /nfs/dbraw/zinc/18/78/51/1224187851.db2.gz QFJMIZZLGPLUPJ-HZPDHXFCSA-N 2 0 352.398 0.079 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640132 1224188449 /nfs/dbraw/zinc/18/84/49/1224188449.db2.gz FOLBFCZYWHFDHS-HOTGVXAUSA-N 2 0 364.494 0.870 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[NH2+]1 ZINC000842147400 1194057451 /nfs/dbraw/zinc/05/74/51/1194057451.db2.gz BQJYPOGWRYODBK-IAGOWNOFSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+]1CC(C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)C1 ZINC001142600522 1194086329 /nfs/dbraw/zinc/08/63/29/1194086329.db2.gz ZECZRPXBGJITFU-UHFFFAOYSA-N 2 0 367.413 0.478 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191462 1194086396 /nfs/dbraw/zinc/08/63/96/1194086396.db2.gz XVKNSSOBQVDQPV-XLIONFOSSA-N 2 0 358.486 0.822 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228723 1194108270 /nfs/dbraw/zinc/10/82/70/1194108270.db2.gz AUHAACCUCYCYCT-GOSISDBHSA-N 2 0 360.502 0.898 20 0 FCADRP COC(=O)c1cc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)c[nH]c-2n1 ZINC001218671383 1224193892 /nfs/dbraw/zinc/19/38/92/1224193892.db2.gz SKOCEGFKFDAHDD-ZDUSSCGKSA-N 2 0 360.418 0.038 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000899229606 1194122568 /nfs/dbraw/zinc/12/25/68/1194122568.db2.gz CQLPDQVIBPBEGY-PKOBYXMFSA-N 2 0 364.534 0.916 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001083523456 1194145948 /nfs/dbraw/zinc/14/59/48/1194145948.db2.gz FAMNMCIHOOFAJY-QYZOEREBSA-N 2 0 365.518 0.981 20 0 FCADRP [NH3+]Cc1cncc(NC(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)c1 ZINC001218705988 1224201228 /nfs/dbraw/zinc/20/12/28/1224201228.db2.gz LHRVWFGJPDEBPB-OAHLLOKOSA-N 2 0 353.386 0.496 20 0 FCADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710857 1224202656 /nfs/dbraw/zinc/20/26/56/1224202656.db2.gz MYEALQPNJSFMDC-NEPJUHHUSA-N 2 0 357.418 0.580 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cn2)CC1 ZINC001218723991 1224205648 /nfs/dbraw/zinc/20/56/48/1224205648.db2.gz BVUSNWLANAJYFZ-INIZCTEOSA-N 3 0 358.490 0.822 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001076070488 1194291816 /nfs/dbraw/zinc/29/18/16/1194291816.db2.gz LUCMDBUXJVEKNW-VWOFYDNZSA-N 2 0 368.481 0.978 20 0 FCADRP CC(=O)N1CCC(n2nccc2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001218735377 1224206934 /nfs/dbraw/zinc/20/69/34/1224206934.db2.gz UOIGRGNDQJDPIG-RDTXWAMCSA-N 2 0 360.462 0.204 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001218730940 1224207579 /nfs/dbraw/zinc/20/75/79/1224207579.db2.gz GSLKYIXFEFZFJP-CQSZACIVSA-N 2 0 369.429 0.274 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1)C1CC[NH2+]CC1 ZINC001218738376 1224208236 /nfs/dbraw/zinc/20/82/36/1224208236.db2.gz ZYURJGRSZQIULA-QGZVFWFLSA-N 2 0 358.446 0.889 20 0 FCADRP [NH3+][C@H](C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1)C1CC[NH2+]CC1 ZINC001218738375 1224208592 /nfs/dbraw/zinc/20/85/92/1224208592.db2.gz ZYURJGRSZQIULA-KRWDZBQOSA-N 2 0 358.446 0.889 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246726 1194365955 /nfs/dbraw/zinc/36/59/55/1194365955.db2.gz HNINDLIPYCULKD-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247066 1194366058 /nfs/dbraw/zinc/36/60/58/1194366058.db2.gz XFOLHKQPFAUUIB-SOUVJXGZSA-N 2 0 362.474 0.056 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247031 1194366494 /nfs/dbraw/zinc/36/64/94/1194366494.db2.gz VZLQVFOWGAAJTI-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076247884 1194367131 /nfs/dbraw/zinc/36/71/31/1194367131.db2.gz LBUUJTQLSXLHKC-IPMKNSEASA-N 2 0 370.497 0.826 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076324780 1194393061 /nfs/dbraw/zinc/39/30/61/1194393061.db2.gz ZVZUTDYBLBJSMP-ARFHVFGLSA-N 2 0 362.474 0.056 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467590 1194502601 /nfs/dbraw/zinc/50/26/01/1194502601.db2.gz NRUSXWYDDXFOCR-YESZJQIVSA-N 2 0 360.502 0.531 20 0 FCADRP Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795905 1224226419 /nfs/dbraw/zinc/22/64/19/1224226419.db2.gz RUMDLVAYNPULCM-RBSFLKMASA-N 2 0 364.494 0.129 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218819438 1224232910 /nfs/dbraw/zinc/23/29/10/1224232910.db2.gz DACSPCVPTGTOQW-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)cc2)CC1 ZINC001218845629 1224238693 /nfs/dbraw/zinc/23/86/93/1224238693.db2.gz FWUWEOOQDSPING-FXAWDEMLSA-N 2 0 357.502 0.714 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001218855637 1224240686 /nfs/dbraw/zinc/24/06/86/1224240686.db2.gz LMRYQHCMIYHVKT-KRWDZBQOSA-N 2 0 372.473 0.990 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)cc1 ZINC001218856090 1224240873 /nfs/dbraw/zinc/24/08/73/1224240873.db2.gz OCMWSMGEZKPJMT-HLIPFELVSA-N 2 0 373.501 0.919 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001218862526 1224242634 /nfs/dbraw/zinc/24/26/34/1224242634.db2.gz UVMGMTQVMHCWEF-HNNXBMFYSA-N 2 0 360.437 0.820 20 0 FCADRP N[C@@H](C[NH3+])c1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC001218882274 1224248245 /nfs/dbraw/zinc/24/82/45/1224248245.db2.gz KVSIOAOBAQRCQR-KRWDZBQOSA-N 2 0 367.453 0.943 20 0 FCADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879714 1224244160 /nfs/dbraw/zinc/24/41/60/1224244160.db2.gz HFKAWWULFRWOHM-QGZVFWFLSA-N 2 0 368.437 0.946 20 0 FCADRP CN(CC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001218882404 1224247357 /nfs/dbraw/zinc/24/73/57/1224247357.db2.gz SHDUFOLUJAWTFS-OAHLLOKOSA-N 2 0 359.474 0.354 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1cnc2n1CC[NH2+]CC2 ZINC001218882503 1224247396 /nfs/dbraw/zinc/24/73/96/1224247396.db2.gz QYNVPIBXLDALIR-UHFFFAOYSA-N 2 0 368.441 0.327 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2F)CC1 ZINC001218889036 1224250160 /nfs/dbraw/zinc/25/01/60/1224250160.db2.gz IXRWJZZTKPAOTO-OAHLLOKOSA-N 3 0 361.465 0.715 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919603 1224259633 /nfs/dbraw/zinc/25/96/33/1224259633.db2.gz VFZSAGJHUJWDPI-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077023646 1195159827 /nfs/dbraw/zinc/15/98/27/1195159827.db2.gz LQYNYDWPAQIBIH-UTRMSSBJSA-N 2 0 361.486 0.835 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)OC ZINC001077366338 1195465774 /nfs/dbraw/zinc/46/57/74/1195465774.db2.gz BYMMALRMWGDHQT-USXIJHARSA-N 2 0 359.430 0.467 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCc2cncn2C1 ZINC001083583380 1195538811 /nfs/dbraw/zinc/53/88/11/1195538811.db2.gz DDMRZORJRWWEED-NXHRZFHOSA-N 2 0 362.474 0.424 20 0 FCADRP Cc1oncc1CN1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591365 1195589122 /nfs/dbraw/zinc/58/91/22/1195589122.db2.gz ZMEPJNLMGRTSLC-SJORKVTESA-N 2 0 355.398 0.914 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664556 1195643500 /nfs/dbraw/zinc/64/35/00/1195643500.db2.gz LVVSDTYHYRKXEV-HNNXBMFYSA-N 2 0 359.474 0.369 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906693857 1195650420 /nfs/dbraw/zinc/65/04/20/1195650420.db2.gz RJCJEHYMFJKKJC-UHFFFAOYSA-N 2 0 359.474 0.763 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906696656 1195650458 /nfs/dbraw/zinc/65/04/58/1195650458.db2.gz GBPOXRFGOGULHK-UHFFFAOYSA-N 2 0 359.474 0.370 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907555877 1195700313 /nfs/dbraw/zinc/70/03/13/1195700313.db2.gz ZEUMTJWDYJGXQT-YSIASYRMSA-N 2 0 361.486 0.537 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000907757224 1195709626 /nfs/dbraw/zinc/70/96/26/1195709626.db2.gz UWNDNFPEDXRMPO-IAGOWNOFSA-N 2 0 369.506 0.879 20 0 FCADRP C[C@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)C[NH+](C)C)cn1)C[NH+](C)C ZINC000908348624 1195738511 /nfs/dbraw/zinc/73/85/11/1195738511.db2.gz XMOCYHNXEIAZLR-OKILXGFUSA-N 2 0 364.494 0.332 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630937 1195802534 /nfs/dbraw/zinc/80/25/34/1195802534.db2.gz VPAXHQADRCZONV-NXHRZFHOSA-N 2 0 371.441 0.611 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C2)C1 ZINC000910844022 1195849417 /nfs/dbraw/zinc/84/94/17/1195849417.db2.gz VOFVKCCCJPBDTM-HXUWFJFHSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000910829190 1195850611 /nfs/dbraw/zinc/85/06/11/1195850611.db2.gz OLQWIWPLNGTXBF-DOTOQJQBSA-N 2 0 359.474 0.671 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910832279 1195851545 /nfs/dbraw/zinc/85/15/45/1195851545.db2.gz MDTIUPPFIOSKEP-DOTOQJQBSA-N 2 0 359.474 0.671 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000911078825 1195886982 /nfs/dbraw/zinc/88/69/82/1195886982.db2.gz TUCVNVRTAALECK-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911103987 1195890665 /nfs/dbraw/zinc/89/06/65/1195890665.db2.gz VUUAGNMSBWGLFW-HOTGVXAUSA-N 2 0 373.501 0.921 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001219054670 1224323537 /nfs/dbraw/zinc/32/35/37/1224323537.db2.gz JDYWMVWTXKZEOE-FGTMMUONSA-N 2 0 369.506 0.434 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029312 1196326491 /nfs/dbraw/zinc/32/64/91/1196326491.db2.gz LQLZPHDNMYHOGX-QGZVFWFLSA-N 2 0 368.522 0.627 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654384 1196347221 /nfs/dbraw/zinc/34/72/21/1196347221.db2.gz LKCWSZSPASEAEI-QGRXYFRJSA-N 2 0 357.454 0.211 20 0 FCADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)c21 ZINC000592549103 1196566519 /nfs/dbraw/zinc/56/65/19/1196566519.db2.gz RLYAPAVHWJNJIQ-DGCLKSJQSA-N 2 0 374.411 0.285 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000592560243 1196568582 /nfs/dbraw/zinc/56/85/82/1196568582.db2.gz GYUDJEAKFJNRKA-UHFFFAOYSA-N 2 0 359.470 0.874 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960876 1196601366 /nfs/dbraw/zinc/60/13/66/1196601366.db2.gz FZDXVDACZGHGHO-HOTGVXAUSA-N 2 0 362.522 0.723 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960878 1196601485 /nfs/dbraw/zinc/60/14/85/1196601485.db2.gz FZDXVDACZGHGHO-JKSUJKDBSA-N 2 0 362.522 0.723 20 0 FCADRP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC000991725199 1196748967 /nfs/dbraw/zinc/74/89/67/1196748967.db2.gz YHQOFROACSFUIC-UHOSZYNNSA-N 2 0 370.497 0.611 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088860392 1196805817 /nfs/dbraw/zinc/80/58/17/1196805817.db2.gz JGAOXDGLPMXZCZ-IKGGRYGDSA-N 2 0 363.506 0.555 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504960 1197018925 /nfs/dbraw/zinc/01/89/25/1197018925.db2.gz HDCLSGKWFFQEKJ-FGTMMUONSA-N 2 0 367.534 0.963 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000992314863 1197062596 /nfs/dbraw/zinc/06/25/96/1197062596.db2.gz TWDUBQFPJQLJJN-GDBMZVCRSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000913664535 1197101307 /nfs/dbraw/zinc/10/13/07/1197101307.db2.gz KNJGXESEBSOJEU-UHFFFAOYSA-N 2 0 357.462 0.844 20 0 FCADRP CN(CC(=O)N1CCN(C)CC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000913683774 1197108935 /nfs/dbraw/zinc/10/89/35/1197108935.db2.gz RVBSXFYIWURMSJ-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)cc2)C1 ZINC001219232373 1224395547 /nfs/dbraw/zinc/39/55/47/1224395547.db2.gz BAQGVVLDFMRELR-WMLDXEAASA-N 2 0 371.485 0.668 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236212 1224396601 /nfs/dbraw/zinc/39/66/01/1224396601.db2.gz OLGWIFCUVXCCNX-VBQJREDUSA-N 2 0 359.474 0.891 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106139214 1197231075 /nfs/dbraw/zinc/23/10/75/1197231075.db2.gz OHDBLGLCSGRXMA-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106138874 1197231388 /nfs/dbraw/zinc/23/13/88/1197231388.db2.gz HKKVLDXEYKUUBY-OIISXLGYSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106139308 1197232633 /nfs/dbraw/zinc/23/26/33/1197232633.db2.gz SHFPGMXHMPQQPS-KYJSFNMBSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106142974 1197291703 /nfs/dbraw/zinc/29/17/03/1197291703.db2.gz IALZMPQCOCVDNI-DJIMGWMZSA-N 2 0 363.506 0.038 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106195810 1197620597 /nfs/dbraw/zinc/62/05/97/1197620597.db2.gz KHRNZOCVWVCUER-BRWVUGGUSA-N 2 0 370.513 0.973 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992950991 1197628427 /nfs/dbraw/zinc/62/84/27/1197628427.db2.gz GLFIATVKIAOHCQ-ABSDTBQOSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC000993023969 1197687511 /nfs/dbraw/zinc/68/75/11/1197687511.db2.gz INOMGFYMTDXORT-KPFFTGBYSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C ZINC001085225242 1197701760 /nfs/dbraw/zinc/70/17/60/1197701760.db2.gz OCSCJBWWTSVDRC-ARFHVFGLSA-N 2 0 363.510 0.990 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085269574 1197774970 /nfs/dbraw/zinc/77/49/70/1197774970.db2.gz GZYMIUJTPFPIOY-BZUAXINKSA-N 2 0 368.441 0.786 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106249473 1197782223 /nfs/dbraw/zinc/78/22/23/1197782223.db2.gz ITANQDDLOIDTSS-RBSFLKMASA-N 2 0 367.494 0.128 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001085319570 1197815993 /nfs/dbraw/zinc/81/59/93/1197815993.db2.gz CVVCRHHGPYYVRP-HZPDHXFCSA-N 2 0 364.490 0.494 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085332557 1197826188 /nfs/dbraw/zinc/82/61/88/1197826188.db2.gz CNSHQIJSOVMVRD-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322681 1197863157 /nfs/dbraw/zinc/86/31/57/1197863157.db2.gz QBTYVZZOAZQXQG-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP Cc1nc2c([nH]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)CC2 ZINC001106343310 1197872036 /nfs/dbraw/zinc/87/20/36/1197872036.db2.gz YJPGHDCZGBUTQY-VNQPRFMTSA-N 2 0 371.489 0.799 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001106346664 1197873507 /nfs/dbraw/zinc/87/35/07/1197873507.db2.gz MUMAXUIBDNEJOG-HZPDHXFCSA-N 2 0 371.489 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1 ZINC000993154397 1197893967 /nfs/dbraw/zinc/89/39/67/1197893967.db2.gz FLUSIWOZQANGSE-MDZRGWNJSA-N 2 0 360.502 0.341 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001066277281 1197941099 /nfs/dbraw/zinc/94/10/99/1197941099.db2.gz CWXQDXRVCWXSPB-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106477372 1197958257 /nfs/dbraw/zinc/95/82/57/1197958257.db2.gz KKHPIKDWNBVISC-ZIAGYGMSSA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC001106627941 1198038808 /nfs/dbraw/zinc/03/88/08/1198038808.db2.gz BHHXBHUJDNMKNR-ZACQAIPSSA-N 2 0 371.522 0.179 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(-c2cc(CO)on2)cc1 ZINC001219419205 1224460960 /nfs/dbraw/zinc/46/09/60/1224460960.db2.gz CXFNCNSBLRIQNC-INIZCTEOSA-N 2 0 359.430 0.523 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000741805352 1198128433 /nfs/dbraw/zinc/12/84/33/1198128433.db2.gz GIPXNYYCWFQYIZ-SFHVURJKSA-N 2 0 368.566 0.859 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001086090853 1198158122 /nfs/dbraw/zinc/15/81/22/1198158122.db2.gz UPUVCFPWTROAMX-APIJFGDWSA-N 2 0 363.510 0.753 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001006286971 1198228031 /nfs/dbraw/zinc/22/80/31/1198228031.db2.gz MMPKKHMIQRHICT-VQHPVUNQSA-N 2 0 360.502 0.815 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086205190 1198255610 /nfs/dbraw/zinc/25/56/10/1198255610.db2.gz FGISWVHQSCQWQN-LZBKUMLDSA-N 2 0 370.497 0.705 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001006289695 1198258911 /nfs/dbraw/zinc/25/89/11/1198258911.db2.gz SAJDKNQUJGYXNU-HPBDAGMYSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001086371190 1198331758 /nfs/dbraw/zinc/33/17/58/1198331758.db2.gz VJEVPHCRNOCGBX-AAVRWANBSA-N 2 0 370.448 0.868 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001219489402 1224485819 /nfs/dbraw/zinc/48/58/19/1224485819.db2.gz OZOGODJZWJMNSB-NVXWUHKLSA-N 2 0 362.474 0.744 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001219488883 1224485944 /nfs/dbraw/zinc/48/59/44/1224485944.db2.gz ANTKBGXJCXRZCN-DYVFJYSZSA-N 2 0 361.490 0.853 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001219489396 1224486147 /nfs/dbraw/zinc/48/61/47/1224486147.db2.gz OZOGODJZWJMNSB-DOTOQJQBSA-N 2 0 362.474 0.744 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@H](F)C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500505 1224489467 /nfs/dbraw/zinc/48/94/67/1224489467.db2.gz CHZNHSBFICCUHB-CSJMPQKXSA-N 2 0 362.405 0.765 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@]1(O)CCC[NH2+]C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501923 1224490058 /nfs/dbraw/zinc/49/00/58/1224490058.db2.gz ZWEAWYTXTFMQBE-MOPGFXCFSA-N 2 0 374.441 0.322 20 0 FCADRP COc1cc2c(cc1NC(=O)CC1([NH3+])CCOCC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503482 1224490507 /nfs/dbraw/zinc/49/05/07/1224490507.db2.gz KUHVGDMWFGUAIX-LJQANCHMSA-N 2 0 374.441 0.715 20 0 FCADRP COc1cc2c(cc1NC(=O)c1cc(C[NH3+])ccn1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219507592 1224492332 /nfs/dbraw/zinc/49/23/32/1224492332.db2.gz ZRVTWSWSWFKASB-LJQANCHMSA-N 2 0 367.409 0.984 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219537753 1224503033 /nfs/dbraw/zinc/50/30/33/1224503033.db2.gz PRLGLPUWBLERFZ-ZWUHOBOKSA-N 2 0 360.458 0.951 20 0 FCADRP [NH3+]Cc1nnnn1-c1cc(N2CCC[C@@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001168921091 1199039750 /nfs/dbraw/zinc/03/97/50/1199039750.db2.gz RFWHEZUBCPDJOZ-GFCCVEGCSA-N 2 0 367.417 0.631 20 0 FCADRP [NH3+]Cc1nnnn1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001168924717 1199040020 /nfs/dbraw/zinc/04/00/20/1199040020.db2.gz QFTDYJVPTRFZBB-UHFFFAOYSA-N 2 0 356.434 0.216 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001169170482 1199054029 /nfs/dbraw/zinc/05/40/29/1199054029.db2.gz VZHNJGGRVPWGHZ-UONOGXRCSA-N 2 0 362.478 0.416 20 0 FCADRP CC(=O)N1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609006 1199080780 /nfs/dbraw/zinc/08/07/80/1199080780.db2.gz GTJKGMUBKJAGSY-KZNAEPCWSA-N 2 0 366.506 0.108 20 0 FCADRP CCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129347898 1199094720 /nfs/dbraw/zinc/09/47/20/1199094720.db2.gz IAXKPGYXPZSCDU-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001219622320 1224532489 /nfs/dbraw/zinc/53/24/89/1224532489.db2.gz RDPVGBTUAVPRMF-QFBILLFUSA-N 2 0 367.440 0.917 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726993 1224579435 /nfs/dbraw/zinc/57/94/35/1224579435.db2.gz UBRFHTZMBOBELF-MSOLQXFVSA-N 3 0 359.518 0.281 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCCN1 ZINC001219727140 1224580138 /nfs/dbraw/zinc/58/01/38/1224580138.db2.gz XSRRVHOMDQYOGT-OALUTQOASA-N 2 0 372.513 0.593 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCN1 ZINC001219728752 1224581734 /nfs/dbraw/zinc/58/17/34/1224581734.db2.gz GIUXGBCNEBKSBT-OALUTQOASA-N 3 0 371.529 0.166 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729166 1224581813 /nfs/dbraw/zinc/58/18/13/1224581813.db2.gz PSTXJPINYPGCBP-QYZOEREBSA-N 4 0 371.529 0.151 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129385088 1200095091 /nfs/dbraw/zinc/09/50/91/1200095091.db2.gz HFNHXTXZAFHQBG-CVEARBPZSA-N 2 0 362.478 0.140 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301845 1200159585 /nfs/dbraw/zinc/15/95/85/1200159585.db2.gz MZGZUURWSDSGOF-LMSBXDPUSA-N 2 0 363.506 0.941 20 0 FCADRP Cc1ccc(CSC[C@H]([NH3+])C(=O)NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001219749541 1224594917 /nfs/dbraw/zinc/59/49/17/1224594917.db2.gz OYJGKGSFZDYZGY-HNNXBMFYSA-N 2 0 374.514 0.957 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC21CC[NH2+]CC1 ZINC001219753405 1224596328 /nfs/dbraw/zinc/59/63/28/1224596328.db2.gz HHGPXJFMOAVUFO-ZWKOTPCHSA-N 2 0 370.497 0.508 20 0 FCADRP O=C(NC[C@]1(F)CCC[NH2+]C1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219770819 1224606766 /nfs/dbraw/zinc/60/67/66/1224606766.db2.gz FAOWLRVERIMBMA-IBGZPJMESA-N 2 0 362.449 0.990 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219774958 1224608266 /nfs/dbraw/zinc/60/82/66/1224608266.db2.gz GEUSFSSENBRIKU-FOIQADDNSA-N 2 0 354.454 0.744 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219796171 1224617263 /nfs/dbraw/zinc/61/72/63/1224617263.db2.gz OYMJTYXZDQREIH-QFBILLFUSA-N 3 0 363.550 0.393 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219799769 1224620144 /nfs/dbraw/zinc/62/01/44/1224620144.db2.gz CICMTQQVVNVPIN-CABCVRRESA-N 2 0 359.474 0.019 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)C1CC[NH+](CC2CC2)CC1 ZINC001109957291 1200646395 /nfs/dbraw/zinc/64/63/95/1200646395.db2.gz GBWBIJYGDDIRMG-QYZOEREBSA-N 2 0 365.518 0.839 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975969 1200656655 /nfs/dbraw/zinc/65/66/55/1200656655.db2.gz MEBCHWNGPYJGJP-MHORFTMASA-N 2 0 366.506 0.202 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805709 1224625263 /nfs/dbraw/zinc/62/52/63/1224625263.db2.gz QCUKHNRPQFAWBW-CEXWTWQISA-N 2 0 361.486 0.739 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219809246 1224628262 /nfs/dbraw/zinc/62/82/62/1224628262.db2.gz HBEOIQAGKLIHGB-CYBMUJFWSA-N 2 0 356.430 0.084 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219814116 1224629744 /nfs/dbraw/zinc/62/97/44/1224629744.db2.gz SWZVRWTYBCZCIK-QRVBRYPASA-N 2 0 361.486 0.236 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)N2CCC([NH3+])CC2)cc1 ZINC001219815233 1224630976 /nfs/dbraw/zinc/63/09/76/1224630976.db2.gz VVLBRABXSHTYQZ-DSKINZAPSA-N 2 0 372.513 0.811 20 0 FCADRP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2)N1CCC1 ZINC001112564147 1200797414 /nfs/dbraw/zinc/79/74/14/1200797414.db2.gz GPGPHKJKUFGZOI-JXFKEZNVSA-N 2 0 360.502 0.533 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818697 1224634733 /nfs/dbraw/zinc/63/47/33/1224634733.db2.gz KAAOTJITEJVSFD-UXLLHSPISA-N 2 0 362.474 0.464 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787113536 1200863841 /nfs/dbraw/zinc/86/38/41/1200863841.db2.gz GSRIWWRVNXEMTL-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787510027 1200887166 /nfs/dbraw/zinc/88/71/66/1200887166.db2.gz XFIDICVXJMWCAT-CQSZACIVSA-N 2 0 362.478 0.689 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829902 1224641525 /nfs/dbraw/zinc/64/15/25/1224641525.db2.gz HQFCPASOKGLUDN-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001219830311 1224642623 /nfs/dbraw/zinc/64/26/23/1224642623.db2.gz VGMYTARQNNKBJU-KURKYZTESA-N 2 0 363.506 0.536 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219834138 1224644794 /nfs/dbraw/zinc/64/47/94/1224644794.db2.gz OKWCITCDUFEPFD-LKCYJCQHSA-N 2 0 360.458 0.244 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834489 1224645936 /nfs/dbraw/zinc/64/59/36/1224645936.db2.gz QLRZEICTFBOVNE-ISARSNTHSA-N 2 0 367.490 0.047 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838351 1224647547 /nfs/dbraw/zinc/64/75/47/1224647547.db2.gz PHJQGXAURLBADX-VDZJLULYSA-N 2 0 363.458 0.076 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219839017 1224647631 /nfs/dbraw/zinc/64/76/31/1224647631.db2.gz XCRSVUZBELVDIK-XVSDVWIESA-N 2 0 363.433 0.524 20 0 FCADRP O=C1O[C@@]2(CN1CN1CC[NH+](C3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364995 1201068029 /nfs/dbraw/zinc/06/80/29/1201068029.db2.gz GYQSLQZHGWXXGS-LJQANCHMSA-N 2 0 364.490 0.657 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219849667 1224653149 /nfs/dbraw/zinc/65/31/49/1224653149.db2.gz DVMLNPMVWBCMJG-RYQLBKOJSA-N 2 0 358.486 0.735 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850420 1224653462 /nfs/dbraw/zinc/65/34/62/1224653462.db2.gz SSHKYJKVXSAARW-LWYYNNOASA-N 2 0 372.513 0.591 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850421 1224654278 /nfs/dbraw/zinc/65/42/78/1224654278.db2.gz SSHKYJKVXSAARW-ZGXWSNOMSA-N 2 0 372.513 0.591 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnnnc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388977 1201209194 /nfs/dbraw/zinc/20/91/94/1201209194.db2.gz BEGSGSKLGRSMAJ-WGIXJMRHSA-N 2 0 368.482 0.145 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000793703545 1201259546 /nfs/dbraw/zinc/25/95/46/1201259546.db2.gz XUKDNFVZQQRVCN-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793794662 1201266116 /nfs/dbraw/zinc/26/61/16/1201266116.db2.gz MUKCHQFIYSSJFM-WBVHZDCISA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793902487 1201274076 /nfs/dbraw/zinc/27/40/76/1201274076.db2.gz RFWGNZVEEVEKQN-LTIDMASMSA-N 2 0 366.506 0.202 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453794 1201312246 /nfs/dbraw/zinc/31/22/46/1201312246.db2.gz JQERAYHDVOFXBL-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCOC)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129850416 1201404922 /nfs/dbraw/zinc/40/49/22/1201404922.db2.gz YUCKYWWWSUWLIA-HZMVEIRTSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837306 1201409957 /nfs/dbraw/zinc/40/99/57/1201409957.db2.gz ASMWDWKUXYTTCY-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892288 1201416266 /nfs/dbraw/zinc/41/62/66/1201416266.db2.gz PQUJVNABPAWXED-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)C12CCC[NH+](CCC1)C2 ZINC001129910062 1201422436 /nfs/dbraw/zinc/42/24/36/1201422436.db2.gz AWIXDYRUZJCGRK-CVEARBPZSA-N 2 0 364.469 0.855 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1ccnn1 ZINC001129918977 1201440922 /nfs/dbraw/zinc/44/09/22/1201440922.db2.gz NWULLCUFEOOBFG-SJORKVTESA-N 2 0 357.462 0.950 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982343 1201461598 /nfs/dbraw/zinc/46/15/98/1201461598.db2.gz DVGWEVMEPVCCQJ-XHSDSOJGSA-N 2 0 364.494 0.122 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1)OC ZINC001129982668 1201462613 /nfs/dbraw/zinc/46/26/13/1201462613.db2.gz HXFPGKVDCBGMJP-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP CCO[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C1CC1 ZINC001129992040 1201470317 /nfs/dbraw/zinc/47/03/17/1201470317.db2.gz JBVWBABAFSOMIU-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001130085862 1201494298 /nfs/dbraw/zinc/49/42/98/1201494298.db2.gz BDDJDQLQRPURJP-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130107688 1201503026 /nfs/dbraw/zinc/50/30/26/1201503026.db2.gz VXFXWICCWRFLGL-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130125140 1201506319 /nfs/dbraw/zinc/50/63/19/1201506319.db2.gz AHXPDKBPXQDKEL-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139481 1201515318 /nfs/dbraw/zinc/51/53/18/1201515318.db2.gz AERREMTUVLALEK-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140085 1201516125 /nfs/dbraw/zinc/51/61/25/1201516125.db2.gz RQNBACABPWFYQM-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP C[NH+](C)C1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CCC1 ZINC001130215690 1201546136 /nfs/dbraw/zinc/54/61/36/1201546136.db2.gz BSQRHAZIHLKPHC-STQMWFEESA-N 2 0 368.457 0.337 20 0 FCADRP CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234591 1201558350 /nfs/dbraw/zinc/55/83/50/1201558350.db2.gz COFYCPXDQNGEND-GJZGRUSLSA-N 2 0 366.510 0.881 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)[nH]1 ZINC001130234725 1201559366 /nfs/dbraw/zinc/55/93/66/1201559366.db2.gz JBXJBFRCBHIXDY-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130244938 1201565374 /nfs/dbraw/zinc/56/53/74/1201565374.db2.gz RZAVTMRXBNSCTE-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP CNc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001219957295 1224700508 /nfs/dbraw/zinc/70/05/08/1224700508.db2.gz KKHSRIROZHKNOS-IRXDYDNUSA-N 2 0 361.490 0.792 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219999146 1224722859 /nfs/dbraw/zinc/72/28/59/1224722859.db2.gz LKJLJGWPNUCKBO-INIZCTEOSA-N 2 0 373.453 0.480 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)COC1 ZINC001220023442 1224730557 /nfs/dbraw/zinc/73/05/57/1224730557.db2.gz YXFTULIXTZIQLP-OALUTQOASA-N 2 0 372.513 0.817 20 0 FCADRP N=c1sc2c(n1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])CC[C@H]([NH3+])C2 ZINC001220025754 1224731123 /nfs/dbraw/zinc/73/11/23/1224731123.db2.gz XBGRUSPHKKJLAX-STQMWFEESA-N 2 0 373.482 0.171 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039522 1224735101 /nfs/dbraw/zinc/73/51/01/1224735101.db2.gz IGCNYRPHCWDHEQ-FHBSJOOWSA-N 2 0 365.478 0.388 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610624 1202730159 /nfs/dbraw/zinc/73/01/59/1202730159.db2.gz OKJFVWXHTBYGRL-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cn(C)cn1 ZINC001130628505 1202738873 /nfs/dbraw/zinc/73/88/73/1202738873.db2.gz VIWQWRAVFOTFCU-FUHWJXTLSA-N 2 0 368.441 0.912 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2[NH2+]CCCO)c1 ZINC001130639486 1202741415 /nfs/dbraw/zinc/74/14/15/1202741415.db2.gz DZLCUGAHIDQAHV-DOTOQJQBSA-N 2 0 363.506 0.561 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1)[NH+](C)C ZINC001130809156 1202802149 /nfs/dbraw/zinc/80/21/49/1202802149.db2.gz KAKLCFDETQMIGE-MELADBBJSA-N 2 0 368.482 0.217 20 0 FCADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)cn1 ZINC001220078070 1224747546 /nfs/dbraw/zinc/74/75/46/1224747546.db2.gz IGKSHBFBSMVPME-SJORKVTESA-N 2 0 363.506 0.388 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131004017 1202841240 /nfs/dbraw/zinc/84/12/40/1202841240.db2.gz XDAUAUXTZKTJPE-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012080 1202844551 /nfs/dbraw/zinc/84/45/51/1202844551.db2.gz AFIWBZYHNSFHGZ-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCCO ZINC001131031171 1202846007 /nfs/dbraw/zinc/84/60/07/1202846007.db2.gz KFLQMFNUXQNQRM-IAGOWNOFSA-N 2 0 368.441 0.648 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCOCC1CC1 ZINC001131068250 1202855828 /nfs/dbraw/zinc/85/58/28/1202855828.db2.gz VUWCZKHNMFQVQC-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131072324 1202856940 /nfs/dbraw/zinc/85/69/40/1202856940.db2.gz SRWLMSNFBBNGEA-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131064198 1202857926 /nfs/dbraw/zinc/85/79/26/1202857926.db2.gz BRXSMHRKECWAPR-JFIYKMOQSA-N 2 0 365.522 0.927 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131132986 1202869871 /nfs/dbraw/zinc/86/98/71/1202869871.db2.gz WKGGLMGCKLFXIN-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316138 1202885197 /nfs/dbraw/zinc/88/51/97/1202885197.db2.gz CLPFJBPLKZIHRL-OAGGEKHMSA-N 2 0 368.478 0.081 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001131555519 1202913371 /nfs/dbraw/zinc/91/33/71/1202913371.db2.gz JJUCSWCCFAUISG-JZXOWHBKSA-N 2 0 368.522 0.578 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131596947 1202919060 /nfs/dbraw/zinc/91/90/60/1202919060.db2.gz CAJKABFWUALGCK-LMMKCTJWSA-N 2 0 371.522 0.321 20 0 FCADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001134126236 1203015669 /nfs/dbraw/zinc/01/56/69/1203015669.db2.gz GSVACNXMVCBPDU-MOPGFXCFSA-N 2 0 370.501 0.946 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCn4ccnc4C3)C2)nn1 ZINC001086737834 1203064463 /nfs/dbraw/zinc/06/44/63/1203064463.db2.gz YUPLJDAFRMXWEW-RRFJBIMHSA-N 2 0 357.462 0.649 20 0 FCADRP CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000816522437 1203072045 /nfs/dbraw/zinc/07/20/45/1203072045.db2.gz ZBCMIQANJHJUJK-PMPSAXMXSA-N 2 0 366.506 0.901 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC1 ZINC001086792775 1203094690 /nfs/dbraw/zinc/09/46/90/1203094690.db2.gz KFDPPKFHUMYCHD-DZGCQCFKSA-N 2 0 361.494 0.724 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000817402826 1203104695 /nfs/dbraw/zinc/10/46/95/1203104695.db2.gz XUAFMZJUDPWCRN-MRXNPFEDSA-N 2 0 373.501 0.930 20 0 FCADRP O=C(C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000817995928 1203128656 /nfs/dbraw/zinc/12/86/56/1203128656.db2.gz ITCWZNNCINEKKN-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)nn1 ZINC000818538832 1203139486 /nfs/dbraw/zinc/13/94/86/1203139486.db2.gz GABPXLITPVUJCY-UHFFFAOYSA-N 2 0 372.429 0.788 20 0 FCADRP COc1ccc(OC)c([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819004969 1203147306 /nfs/dbraw/zinc/14/73/06/1203147306.db2.gz VXRLEEVVCCFWJW-RHSMWYFYSA-N 2 0 365.474 0.914 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822951134 1203242536 /nfs/dbraw/zinc/24/25/36/1203242536.db2.gz KWGGPQOORKHBKI-OAHLLOKOSA-N 2 0 358.446 0.804 20 0 FCADRP Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107641 1203280830 /nfs/dbraw/zinc/28/08/30/1203280830.db2.gz QGOCOEQTBHPBSZ-NWGLXNPWSA-N 2 0 373.501 0.975 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090866943 1203319881 /nfs/dbraw/zinc/31/98/81/1203319881.db2.gz SQRUOVJLMVKDPU-BBWFWOEESA-N 2 0 360.458 0.159 20 0 FCADRP O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670001 1203322716 /nfs/dbraw/zinc/32/27/16/1203322716.db2.gz KHVUJNUIBSYKRT-IRXDYDNUSA-N 2 0 353.426 0.417 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220224144 1224808036 /nfs/dbraw/zinc/80/80/36/1224808036.db2.gz BCFAIYXMNDYIHQ-IKGGRYGDSA-N 2 0 365.474 0.931 20 0 FCADRP COC(=O)[C@@]1(NC(=O)C[C@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228706 1224810566 /nfs/dbraw/zinc/81/05/66/1224810566.db2.gz VGJSWESIWYCUFO-QFBILLFUSA-N 2 0 361.442 0.299 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001220230905 1224811093 /nfs/dbraw/zinc/81/10/93/1224811093.db2.gz UAUCCBRZRZCNHN-FGTMMUONSA-N 2 0 361.486 0.877 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001220230906 1224811229 /nfs/dbraw/zinc/81/12/29/1224811229.db2.gz UAUCCBRZRZCNHN-SQNIBIBYSA-N 2 0 361.486 0.877 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001220307185 1224824164 /nfs/dbraw/zinc/82/41/64/1224824164.db2.gz TZHFKYKNQOSSRJ-SFHVURJKSA-N 2 0 355.486 0.858 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316270 1224827252 /nfs/dbraw/zinc/82/72/52/1224827252.db2.gz NRICIRYDGGWBGX-VPWXQRGCSA-N 2 0 370.453 0.577 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001220345410 1224836285 /nfs/dbraw/zinc/83/62/85/1224836285.db2.gz IIVDUYITWWUVLY-HOTGVXAUSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354661 1224839795 /nfs/dbraw/zinc/83/97/95/1224839795.db2.gz VSTOWZHHHZLLGT-WOCWXWTJSA-N 2 0 373.453 0.693 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358016 1224842602 /nfs/dbraw/zinc/84/26/02/1224842602.db2.gz OGWKIQBPONOHOE-LTIDMASMSA-N 2 0 360.458 0.109 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC001144942750 1204664938 /nfs/dbraw/zinc/66/49/38/1204664938.db2.gz ANJFOOUGLRVVQV-MRXNPFEDSA-N 2 0 363.458 0.838 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220369612 1224846835 /nfs/dbraw/zinc/84/68/35/1224846835.db2.gz LGZVULHKUYDDAN-KURKYZTESA-N 2 0 363.502 0.859 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCCc3ccc(C[NH3+])nc32)COC1(C)C ZINC001220377277 1224849196 /nfs/dbraw/zinc/84/91/96/1224849196.db2.gz QVAAYTSUYSTZLG-FZMZJTMJSA-N 2 0 361.446 0.130 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664538 1204811396 /nfs/dbraw/zinc/81/13/96/1204811396.db2.gz RMBCJNLBWQEJFK-UWVAXJGDSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091676995 1204817809 /nfs/dbraw/zinc/81/78/09/1204817809.db2.gz HSPWDBSXWUNRAH-SYNHAJSKSA-N 2 0 360.502 0.387 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738021 1204837504 /nfs/dbraw/zinc/83/75/04/1204837504.db2.gz NENLNJQMCIKGLP-GJYPPUQNSA-N 2 0 363.506 0.132 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737060 1204837899 /nfs/dbraw/zinc/83/78/99/1204837899.db2.gz BGLGQYROQDYSKN-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+]1CCCC1 ZINC001273450375 1204848727 /nfs/dbraw/zinc/84/87/27/1204848727.db2.gz OYPMLVCOROENDY-JXXFODFXSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086982378 1204878001 /nfs/dbraw/zinc/87/80/01/1204878001.db2.gz GAZKQPUQBJWKCE-OKZBNKHCSA-N 2 0 363.506 0.559 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cnn(C)c1 ZINC001086986141 1204880454 /nfs/dbraw/zinc/88/04/54/1204880454.db2.gz YMUPACDPZRENTO-BHYGNILZSA-N 2 0 361.490 0.313 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087009813 1204897379 /nfs/dbraw/zinc/89/73/79/1204897379.db2.gz ZJTBVPBYDRPTPC-BPQIPLTHSA-N 2 0 363.506 0.682 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087035408 1204910657 /nfs/dbraw/zinc/91/06/57/1204910657.db2.gz ZYYFDIZUBPFRME-BPQIPLTHSA-N 2 0 363.506 0.776 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087059510 1204943926 /nfs/dbraw/zinc/94/39/26/1204943926.db2.gz JQRPIMGBNYZEBB-NVXWUHKLSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059441 1204944070 /nfs/dbraw/zinc/94/40/70/1204944070.db2.gz GJBOPRXWLVZRBL-NVXWUHKLSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087059814 1204944382 /nfs/dbraw/zinc/94/43/82/1204944382.db2.gz WKFYOXSFOPXAPI-NVXWUHKLSA-N 2 0 361.490 0.914 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087059869 1204944487 /nfs/dbraw/zinc/94/44/87/1204944487.db2.gz YKMKTEHTNCQIRS-HZPDHXFCSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083910 1204972060 /nfs/dbraw/zinc/97/20/60/1204972060.db2.gz XLFFUMFNZLZUKA-ZMSDIMECSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087100921 1204997241 /nfs/dbraw/zinc/99/72/41/1204997241.db2.gz LEZFNEVTTVBNJF-ZMSDIMECSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087096537 1205004165 /nfs/dbraw/zinc/00/41/65/1205004165.db2.gz QVDIMXVYTZBJJO-ZMSDIMECSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087096465 1205004479 /nfs/dbraw/zinc/00/44/79/1205004479.db2.gz OQSOREZVWUJXLN-GVDBMIGSSA-N 2 0 361.490 0.772 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087097112 1205005234 /nfs/dbraw/zinc/00/52/34/1205005234.db2.gz WNKAZFLGIVVPKX-KZNAEPCWSA-N 2 0 365.518 0.962 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091985857 1205093939 /nfs/dbraw/zinc/09/39/39/1205093939.db2.gz KNHJGYODDYTKSV-POAQFYNOSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975060 1205105636 /nfs/dbraw/zinc/10/56/36/1205105636.db2.gz FJEIMZOOFABGTA-NBQZKYEYSA-N 2 0 362.518 0.776 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197985 1205191364 /nfs/dbraw/zinc/19/13/64/1205191364.db2.gz AFZLAQGQJLXZTL-QINHECLXSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)cc1=O ZINC001092275925 1205223644 /nfs/dbraw/zinc/22/36/44/1205223644.db2.gz WXQQSJQCMHQUKN-XLIONFOSSA-N 2 0 358.486 0.761 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092503985 1205295934 /nfs/dbraw/zinc/29/59/34/1205295934.db2.gz FWPZMISMSUDDND-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611499 1205313429 /nfs/dbraw/zinc/31/34/29/1205313429.db2.gz YITBOQQJWYSXIW-OIISXLGYSA-N 2 0 363.506 0.038 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092602518 1205317648 /nfs/dbraw/zinc/31/76/48/1205317648.db2.gz ATFADVKGSLXWLL-BRWVUGGUSA-N 2 0 365.522 0.569 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)Cc1ccccc1 ZINC001220462710 1224880855 /nfs/dbraw/zinc/88/08/55/1224880855.db2.gz LJUKIDCYKFTDCS-ROUUACIJSA-N 2 0 374.485 0.362 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[NH+]1C ZINC001092621693 1205330122 /nfs/dbraw/zinc/33/01/22/1205330122.db2.gz WZDASRVPJLZHFT-KLHDSHLOSA-N 2 0 364.490 0.160 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@H](c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH3+])C1 ZINC001220517257 1224900141 /nfs/dbraw/zinc/90/01/41/1224900141.db2.gz DAWLFGFIYPVLQL-APWZRJJASA-N 2 0 372.517 0.639 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001220519578 1224901050 /nfs/dbraw/zinc/90/10/50/1224901050.db2.gz SQOUXRPKBFSHSI-KRWDZBQOSA-N 2 0 363.458 0.177 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)CC[NH2+]C1 ZINC001220521722 1224905411 /nfs/dbraw/zinc/90/54/11/1224905411.db2.gz MGHZGIMZTQITTP-LBPRGKRZSA-N 2 0 369.462 0.752 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccc(CN3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC001220525639 1224906151 /nfs/dbraw/zinc/90/61/51/1224906151.db2.gz MZWFNEHRNAQVRG-UHFFFAOYSA-N 2 0 372.469 0.632 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533968 1224910998 /nfs/dbraw/zinc/91/09/98/1224910998.db2.gz VCZVSMAJUSJTOL-PMACEKPBSA-N 2 0 371.481 0.876 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937875 1205962712 /nfs/dbraw/zinc/96/27/12/1205962712.db2.gz YRWJHVABQNCTAL-OIISXLGYSA-N 2 0 360.506 0.791 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056904 1206003728 /nfs/dbraw/zinc/00/37/28/1206003728.db2.gz VAYVALGFEUAGEB-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133434 1206032191 /nfs/dbraw/zinc/03/21/91/1206032191.db2.gz FJQGKJAPBGUFLQ-BRWVUGGUSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137002 1206033989 /nfs/dbraw/zinc/03/39/89/1206033989.db2.gz IECHHPSYZAKMPY-RBSFLKMASA-N 2 0 361.490 0.922 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093452012 1206082095 /nfs/dbraw/zinc/08/20/95/1206082095.db2.gz BMGMFCQIACTWTC-VXNCWWDNSA-N 2 0 365.518 0.573 20 0 FCADRP CC(C)[C@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460182 1206083649 /nfs/dbraw/zinc/08/36/49/1206083649.db2.gz QGNDHOYXEFETLC-VIPLHTEESA-N 2 0 367.534 0.819 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465439 1206084572 /nfs/dbraw/zinc/08/45/72/1206084572.db2.gz HXDLYFFIQMWRSP-IZBJGVDFSA-N 2 0 367.534 0.677 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[NH+]2CCC(C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093469246 1206085524 /nfs/dbraw/zinc/08/55/24/1206085524.db2.gz FLDRRKWYXXAZIC-IZBJGVDFSA-N 2 0 367.534 0.677 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CC[NH+]2CCCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093480460 1206090183 /nfs/dbraw/zinc/09/01/83/1206090183.db2.gz JZLZXDZQJIKOAC-IZBJGVDFSA-N 2 0 367.534 0.821 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001093673218 1206099852 /nfs/dbraw/zinc/09/98/52/1206099852.db2.gz MJEUHKQOYICQQB-KYJSFNMBSA-N 2 0 360.506 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093821129 1206123204 /nfs/dbraw/zinc/12/32/04/1206123204.db2.gz SQVPCBXOMGVFBL-OAGGEKHMSA-N 2 0 360.506 0.934 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093816968 1206134491 /nfs/dbraw/zinc/13/44/91/1206134491.db2.gz VRBXIUJMUKJTAD-IXDOHACOSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C)c1nnnn1C ZINC001093894775 1206152538 /nfs/dbraw/zinc/15/25/38/1206152538.db2.gz TVOBWGRUUREEFU-UMVBOHGHSA-N 2 0 368.445 0.917 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)c1nnnn1C ZINC001093960808 1206159079 /nfs/dbraw/zinc/15/90/79/1206159079.db2.gz MFOJYMULWQBYNF-QLFBSQMISA-N 2 0 363.510 0.830 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001094041922 1206174139 /nfs/dbraw/zinc/17/41/39/1206174139.db2.gz INOSNRFAKNFGHI-BZUAXINKSA-N 2 0 363.510 0.780 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)C1 ZINC001094041783 1206174350 /nfs/dbraw/zinc/17/43/50/1206174350.db2.gz FGZJNXGRPOIQQH-JFIYKMOQSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)c1nnnn1C ZINC001094130990 1206189323 /nfs/dbraw/zinc/18/93/23/1206189323.db2.gz HTQASSGDWDUBTA-OWCLPIDISA-N 2 0 363.510 0.687 20 0 FCADRP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001094169386 1206198288 /nfs/dbraw/zinc/19/82/88/1206198288.db2.gz HUQYDQIZVZXFIY-GDBMZVCRSA-N 2 0 360.506 0.886 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1C ZINC001094169482 1206198461 /nfs/dbraw/zinc/19/84/61/1206198461.db2.gz MZXXPCBIBMJGTL-HUUCEWRRSA-N 2 0 360.506 0.657 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)CC1 ZINC001094143060 1206200268 /nfs/dbraw/zinc/20/02/68/1206200268.db2.gz FVTSCEOYLISCOS-GDBMZVCRSA-N 2 0 363.510 0.515 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094220534 1206203179 /nfs/dbraw/zinc/20/31/79/1206203179.db2.gz FKDJSXJRGHILAL-OWCLPIDISA-N 2 0 363.510 0.609 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)CC[N@@H+]1C ZINC001094419799 1206223775 /nfs/dbraw/zinc/22/37/75/1206223775.db2.gz DXKDVFOIHWZHKG-YWTNHNAXSA-N 2 0 360.506 0.979 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)CC[N@@H+]1C ZINC001094419172 1206223901 /nfs/dbraw/zinc/22/39/01/1206223901.db2.gz VEDXAUFEIXKPKU-WOCWXWTJSA-N 2 0 362.518 0.920 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001691697921 1206252554 /nfs/dbraw/zinc/25/25/54/1206252554.db2.gz MBIFFPIFXXBZJK-KSZLIROESA-N 2 0 363.506 0.825 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015361 1206254727 /nfs/dbraw/zinc/25/47/27/1206254727.db2.gz PKKYVXPAFFSMID-GOSISDBHSA-N 2 0 372.513 0.964 20 0 FCADRP COC(=O)[C@@H]1C[C@@H](N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173582162 1206282638 /nfs/dbraw/zinc/28/26/38/1206282638.db2.gz KBSZIQIXQMKEMC-OSYLJGHBSA-N 2 0 371.522 0.933 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1c2ccccc2C(=O)C1=O ZINC001180048737 1206387575 /nfs/dbraw/zinc/38/75/75/1206387575.db2.gz LROANVHAFOUUPT-UHFFFAOYSA-N 2 0 374.485 0.948 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001182017712 1206419890 /nfs/dbraw/zinc/41/98/90/1206419890.db2.gz RIXIYLWBVRHDAY-SFHVURJKSA-N 2 0 370.497 0.965 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)CC2)C1=O ZINC001183401095 1206452670 /nfs/dbraw/zinc/45/26/70/1206452670.db2.gz SAUCCNUWDNIVGU-CRAIPNDOSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@H](C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1)[NH+]1CCCC1 ZINC001273502023 1206479120 /nfs/dbraw/zinc/47/91/20/1206479120.db2.gz FPFDEQLAWDNRDD-WBVHZDCISA-N 2 0 360.502 0.768 20 0 FCADRP C[C@@H](C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1)[NH+]1CCCC1 ZINC001273502010 1206479207 /nfs/dbraw/zinc/47/92/07/1206479207.db2.gz FPFDEQLAWDNRDD-DOTOQJQBSA-N 2 0 360.502 0.768 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000775035624 1206500259 /nfs/dbraw/zinc/50/02/59/1206500259.db2.gz PGVRUODWLXXCKG-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001187406459 1206523442 /nfs/dbraw/zinc/52/34/42/1206523442.db2.gz PGFLPZLHACUGLA-QWHCGFSZSA-N 2 0 371.482 0.862 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220651267 1224990386 /nfs/dbraw/zinc/99/03/86/1224990386.db2.gz IJEPYFJHXZGDRZ-RBUKOAKNSA-N 2 0 371.529 0.786 20 0 FCADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651780 1224991093 /nfs/dbraw/zinc/99/10/93/1224991093.db2.gz PHMDCZXTUHYEMD-LMMKCTJWSA-N 2 0 358.486 0.727 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405517 1207454156 /nfs/dbraw/zinc/45/41/56/1207454156.db2.gz JIQWXRWKZWCBOS-FUHWJXTLSA-N 2 0 369.473 0.732 20 0 FCADRP COc1ccc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)nn1 ZINC001188962808 1207493471 /nfs/dbraw/zinc/49/34/71/1207493471.db2.gz GTLYJERYVSGDMI-GOEBONIOSA-N 2 0 359.474 0.860 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118399 1207503160 /nfs/dbraw/zinc/50/31/60/1207503160.db2.gz WCOXXUQHWTYGTC-BPQIPLTHSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126653 1207509087 /nfs/dbraw/zinc/50/90/87/1207509087.db2.gz JJFNFOMDCJKDAG-IXDOHACOSA-N 2 0 365.522 0.569 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820164 1207606354 /nfs/dbraw/zinc/60/63/54/1207606354.db2.gz SWHSTVLBXKIAOP-YESZJQIVSA-N 2 0 368.522 0.353 20 0 FCADRP COc1ncccc1CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802386 1207609659 /nfs/dbraw/zinc/60/96/59/1207609659.db2.gz XOLRYUCGLIDETD-DOTOQJQBSA-N 2 0 362.474 0.701 20 0 FCADRP Cc1noc(CCC[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189801806 1207609929 /nfs/dbraw/zinc/60/99/29/1207609929.db2.gz NVWTYQPTAYDFOT-JKSUJKDBSA-N 2 0 365.478 0.422 20 0 FCADRP C[C@@H](NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189802390 1207610736 /nfs/dbraw/zinc/61/07/36/1207610736.db2.gz XZHCSDZCNNPXQT-HYVNUMGLSA-N 2 0 360.502 0.530 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189922886 1207621842 /nfs/dbraw/zinc/62/18/42/1207621842.db2.gz FSYRWAOCPNYTRG-YESZJQIVSA-N 2 0 366.506 0.014 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220683568 1225010765 /nfs/dbraw/zinc/01/07/65/1225010765.db2.gz OTRKGUJZRGMIQZ-AJRPESIASA-N 2 0 354.454 0.888 20 0 FCADRP O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220687045 1225013166 /nfs/dbraw/zinc/01/31/66/1225013166.db2.gz CWYSQZSMTKCDIG-DLBZAZTESA-N 2 0 356.470 0.350 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690147 1225017787 /nfs/dbraw/zinc/01/77/87/1225017787.db2.gz RXBJRDIENJLNCT-APWZRJJASA-N 2 0 358.486 0.868 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001273660022 1207877337 /nfs/dbraw/zinc/87/73/37/1207877337.db2.gz OXMAOUUDDPTISK-KDOFPFPSSA-N 2 0 362.478 0.326 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001193774922 1207888371 /nfs/dbraw/zinc/88/83/71/1207888371.db2.gz XYZQGQACKUKHPR-QZTJIDSGSA-N 2 0 361.486 0.883 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193755940 1207890466 /nfs/dbraw/zinc/89/04/66/1207890466.db2.gz NPWDEALLPSEINJ-QRVBRYPASA-N 2 0 360.502 0.754 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103083 1207918899 /nfs/dbraw/zinc/91/88/99/1207918899.db2.gz UMDOXAXUAVCEOR-IAGOWNOFSA-N 2 0 371.522 0.321 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289828 1207934321 /nfs/dbraw/zinc/93/43/21/1207934321.db2.gz PDMGUNYOCLQQJK-KBAYOESNSA-N 2 0 362.474 0.496 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001195677583 1208032511 /nfs/dbraw/zinc/03/25/11/1208032511.db2.gz UAUCCBRZRZCNHN-KZNAEPCWSA-N 2 0 361.486 0.877 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195701423 1208035948 /nfs/dbraw/zinc/03/59/48/1208035948.db2.gz MOFARFKFNUWMLL-HZPDHXFCSA-N 2 0 363.458 0.461 20 0 FCADRP C[C@@H](C(=O)N(C)C1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869449 1208045158 /nfs/dbraw/zinc/04/51/58/1208045158.db2.gz DEPWACQXPBKWBW-USXIJHARSA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196122482 1208059368 /nfs/dbraw/zinc/05/93/68/1208059368.db2.gz CISZNXBZQIEQAI-GUDVDZBRSA-N 2 0 363.502 0.961 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123475 1208059401 /nfs/dbraw/zinc/05/94/01/1208059401.db2.gz SGEFWHKNIRQKDT-FGTMMUONSA-N 2 0 365.522 0.727 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000896 1208128045 /nfs/dbraw/zinc/12/80/45/1208128045.db2.gz NSRWMNFWQYRGHD-IXDOHACOSA-N 2 0 370.538 0.704 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001197493236 1208171297 /nfs/dbraw/zinc/17/12/97/1208171297.db2.gz HIARUNXJJAURIC-QZTJIDSGSA-N 2 0 361.486 0.667 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)CC2)cc1 ZINC001220743889 1225048460 /nfs/dbraw/zinc/04/84/60/1225048460.db2.gz UMKSBQUDWNJKSH-UTKZUKDTSA-N 2 0 372.513 0.770 20 0 FCADRP Cn1cncc1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001197792000 1208196618 /nfs/dbraw/zinc/19/66/18/1208196618.db2.gz IDBYTQYYUQXTPI-QZTJIDSGSA-N 2 0 358.442 0.593 20 0 FCADRP COCCn1c(=O)cccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001198694296 1208279054 /nfs/dbraw/zinc/27/90/54/1208279054.db2.gz SAJYZRTYKBJUSU-UHFFFAOYSA-N 2 0 366.506 0.840 20 0 FCADRP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC001220750716 1225054429 /nfs/dbraw/zinc/05/44/29/1225054429.db2.gz DBOHJMMTOVEFPP-UJKMTWAASA-N 2 0 362.477 0.995 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112076 1208322072 /nfs/dbraw/zinc/32/20/72/1208322072.db2.gz ZZNWGPONNHFYMM-GUDVDZBRSA-N 2 0 363.502 0.482 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)c1ccccc1 ZINC001220768556 1225062083 /nfs/dbraw/zinc/06/20/83/1225062083.db2.gz QZKDDIVIMGHWSG-SQNIBIBYSA-N 2 0 365.474 0.114 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CC3(CCN3C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835739 1208406745 /nfs/dbraw/zinc/40/67/45/1208406745.db2.gz QIIIAGGIECRSLA-IAGOWNOFSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@@H]1O ZINC001220768612 1225063561 /nfs/dbraw/zinc/06/35/61/1225063561.db2.gz VFTFLASSZZDYJX-MOPGFXCFSA-N 2 0 363.502 0.749 20 0 FCADRP C[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001691705693 1208437839 /nfs/dbraw/zinc/43/78/39/1208437839.db2.gz AMFQHMDKDCEINK-DGXTUMSLSA-N 2 0 359.536 0.492 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001691707779 1208441329 /nfs/dbraw/zinc/44/13/29/1208441329.db2.gz YDVFESUMGSMUEP-ZWKOTPCHSA-N 2 0 363.506 0.825 20 0 FCADRP CC(C)COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229416 1208449361 /nfs/dbraw/zinc/44/93/61/1208449361.db2.gz BUZFXUBEOPXAKT-BPQIPLTHSA-N 2 0 371.522 0.320 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229351 1208449420 /nfs/dbraw/zinc/44/94/20/1208449420.db2.gz BBFWRYBHKMFMGV-HLLBOEOZSA-N 2 0 368.522 0.447 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001110569511 1208462872 /nfs/dbraw/zinc/46/28/72/1208462872.db2.gz QEITVEQEJREJJY-MKXGPGLRSA-N 2 0 374.529 0.966 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220790245 1225075901 /nfs/dbraw/zinc/07/59/01/1225075901.db2.gz PUOSCACUVXWGKV-WJFTUGDTSA-N 2 0 357.502 0.922 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001489207846 1208672756 /nfs/dbraw/zinc/67/27/56/1208672756.db2.gz ZMTFLSIUTOUQCE-ZIFCJYIRSA-N 2 0 364.534 0.879 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2CC)C[C@@H]1O ZINC001220830589 1225093276 /nfs/dbraw/zinc/09/32/76/1225093276.db2.gz CWFSSPGDDCABJU-ZACQAIPSSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001489589837 1209009397 /nfs/dbraw/zinc/00/93/97/1209009397.db2.gz ILVWECZNNRCZIO-IKGGRYGDSA-N 2 0 366.506 0.035 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001220855419 1225109287 /nfs/dbraw/zinc/10/92/87/1225109287.db2.gz XRMDZWCSOBQUSI-JXFKEZNVSA-N 2 0 350.422 0.871 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220857787 1225111488 /nfs/dbraw/zinc/11/14/88/1225111488.db2.gz RNEOLMAXHNMGAX-ROUUACIJSA-N 2 0 350.422 0.874 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220857785 1225112345 /nfs/dbraw/zinc/11/23/45/1225112345.db2.gz RNEOLMAXHNMGAX-MSOLQXFVSA-N 2 0 350.422 0.874 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000851685090 1209512261 /nfs/dbraw/zinc/51/22/61/1209512261.db2.gz PHLRIZINTAOIRQ-PVAVHDDUSA-N 2 0 366.506 0.332 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748873 1209562591 /nfs/dbraw/zinc/56/25/91/1209562591.db2.gz FKQFPUSDTGANKE-RDJZCZTQSA-N 2 0 366.506 0.997 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110668080 1209592330 /nfs/dbraw/zinc/59/23/30/1209592330.db2.gz VZVCGQNLBDULLI-BDXSIMOUSA-N 2 0 366.506 0.201 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001110684635 1209626192 /nfs/dbraw/zinc/62/61/92/1209626192.db2.gz RUMNGCUUCIVIDC-VQHPVUNQSA-N 2 0 363.506 0.608 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3ccnc3C1)C2 ZINC001110740885 1209777731 /nfs/dbraw/zinc/77/77/31/1209777731.db2.gz HZZIFMNUOSBUQI-HZMVEIRTSA-N 2 0 362.474 0.830 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000861541045 1209870620 /nfs/dbraw/zinc/87/06/20/1209870620.db2.gz UAMDYPQCVVQZQI-AWEZNQCLSA-N 2 0 361.490 0.961 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c2)CC1 ZINC000861542672 1209870641 /nfs/dbraw/zinc/87/06/41/1209870641.db2.gz RRFWCMYDTUMQBJ-HNNXBMFYSA-N 2 0 361.490 0.961 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000861729845 1209877954 /nfs/dbraw/zinc/87/79/54/1209877954.db2.gz CLKDGKYKHYBTSF-GDBMZVCRSA-N 2 0 362.474 0.754 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975904 1225169767 /nfs/dbraw/zinc/16/97/67/1225169767.db2.gz AFVNMKKCXOPKKH-QRQLOZEOSA-N 2 0 361.486 0.959 20 0 FCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000866540866 1209998241 /nfs/dbraw/zinc/99/82/41/1209998241.db2.gz SFVQLDGNDKEIFD-GVDRCSPZSA-N 2 0 366.481 0.522 20 0 FCADRP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866710850 1210003837 /nfs/dbraw/zinc/00/38/37/1210003837.db2.gz WMRXRKTVSIIHRI-BBWFWOEESA-N 2 0 358.442 0.755 20 0 FCADRP O=C(/C=C/CN1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000866768148 1210005669 /nfs/dbraw/zinc/00/56/69/1210005669.db2.gz PLXRRPSDANFJLC-ZYIDEWGLSA-N 2 0 373.497 0.874 20 0 FCADRP C[NH+]1CCC(ONC(=O)[C@H]2CC[C@@H]2C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000868089975 1210040841 /nfs/dbraw/zinc/04/08/41/1210040841.db2.gz APQFLAZOKYBPDZ-HOTGVXAUSA-N 2 0 368.478 0.297 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000868276462 1210048676 /nfs/dbraw/zinc/04/86/76/1210048676.db2.gz RSLYXCLMGLJANE-YJBOKZPZSA-N 2 0 371.485 0.728 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868385337 1210058183 /nfs/dbraw/zinc/05/81/83/1210058183.db2.gz PIDKXSBTEUZZHQ-QGZVFWFLSA-N 2 0 367.538 0.057 20 0 FCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000870876747 1210121295 /nfs/dbraw/zinc/12/12/95/1210121295.db2.gz XPGHNFXJTFOMHG-IYBDPMFKSA-N 2 0 359.474 0.754 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875168485 1210345965 /nfs/dbraw/zinc/34/59/65/1210345965.db2.gz WOJXZNIVCCGGNR-MRXNPFEDSA-N 2 0 367.538 0.071 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221073190 1225209829 /nfs/dbraw/zinc/20/98/29/1225209829.db2.gz KLVMSGBMOZSLDF-KSZLIROESA-N 2 0 369.506 0.219 20 0 FCADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073498 1225211045 /nfs/dbraw/zinc/21/10/45/1225211045.db2.gz YUSBZFOJJHBUSB-KURKYZTESA-N 2 0 371.522 0.057 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876780079 1210429343 /nfs/dbraw/zinc/42/93/43/1210429343.db2.gz CLJFDDSYADQAER-IRXDYDNUSA-N 2 0 362.522 0.872 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000876781200 1210429747 /nfs/dbraw/zinc/42/97/47/1210429747.db2.gz MFZBURPAZLKODU-KRWDZBQOSA-N 2 0 362.522 0.873 20 0 FCADRP Cn1nc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc2c1=O ZINC000877199913 1210439337 /nfs/dbraw/zinc/43/93/37/1210439337.db2.gz BDQQFPORZYEWCX-UHFFFAOYSA-N 2 0 364.409 0.990 20 0 FCADRP COC[C@]1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000877224127 1210440230 /nfs/dbraw/zinc/44/02/30/1210440230.db2.gz FDPVQPNGGLRMHP-FQEVSTJZSA-N 2 0 361.486 0.771 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246817 1210440869 /nfs/dbraw/zinc/44/08/69/1210440869.db2.gz QJFXOWLVJHRJSU-IECFSIQFSA-N 2 0 362.518 0.966 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C[C@H]2[NH3+])cc1 ZINC000877240143 1210440885 /nfs/dbraw/zinc/44/08/85/1210440885.db2.gz YYPPWROPTBFNDC-HYVNUMGLSA-N 2 0 370.457 0.778 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)CC1 ZINC000879992887 1210510145 /nfs/dbraw/zinc/51/01/45/1210510145.db2.gz MUETXQWZQKJUGW-SFHVURJKSA-N 2 0 366.550 0.756 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC000880297355 1210526797 /nfs/dbraw/zinc/52/67/97/1210526797.db2.gz MCJOCCLKJINUKY-ZDUSSCGKSA-N 2 0 361.425 0.303 20 0 FCADRP COc1cccc(C2(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC[NH2+]CC2)c1 ZINC001221096504 1225222720 /nfs/dbraw/zinc/22/27/20/1225222720.db2.gz XHTAKJQBGIFYHQ-INIZCTEOSA-N 2 0 360.458 0.258 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883128263 1210654489 /nfs/dbraw/zinc/65/44/89/1210654489.db2.gz ZTUBMOXZAXJYOM-OAHLLOKOSA-N 2 0 374.489 0.512 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883346649 1210664014 /nfs/dbraw/zinc/66/40/14/1210664014.db2.gz DTKCEXSSCIGSFI-AEFFLSMTSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC000883457998 1210668799 /nfs/dbraw/zinc/66/87/99/1210668799.db2.gz UJERAEPGJXGZIG-CVEARBPZSA-N 2 0 365.522 0.985 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC1 ZINC000883592554 1210672655 /nfs/dbraw/zinc/67/26/55/1210672655.db2.gz LLGMLQUYBJFCEG-UHFFFAOYSA-N 2 0 365.522 0.986 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883606523 1210673513 /nfs/dbraw/zinc/67/35/13/1210673513.db2.gz UTFSURCHROZAFL-QGZVFWFLSA-N 2 0 359.474 0.717 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883604902 1210673792 /nfs/dbraw/zinc/67/37/92/1210673792.db2.gz HHUCTWLGWKAENX-CRAIPNDOSA-N 2 0 371.485 0.730 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883611555 1210674923 /nfs/dbraw/zinc/67/49/23/1210674923.db2.gz BNYXOAXKITUUKX-RVKKMQEKSA-N 2 0 371.485 0.763 20 0 FCADRP C[C@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC[NH2+]C1 ZINC000883611401 1210675264 /nfs/dbraw/zinc/67/52/64/1210675264.db2.gz XPSSOWCUCITDIZ-PXNSSMCTSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCN1c1cc[nH+]cc1 ZINC000883642167 1210678169 /nfs/dbraw/zinc/67/81/69/1210678169.db2.gz FYKRLEGBUSFPBW-HYVNUMGLSA-N 2 0 357.458 0.472 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883646879 1210678691 /nfs/dbraw/zinc/67/86/91/1210678691.db2.gz DMCKFQGIERTRJS-NVXWUHKLSA-N 2 0 359.474 0.719 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000883656892 1210682188 /nfs/dbraw/zinc/68/21/88/1210682188.db2.gz MGRVQAGBEMMVDW-UHFFFAOYSA-N 2 0 357.458 0.475 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cn(-c2ccccc2)nn1 ZINC000132825395 1210689162 /nfs/dbraw/zinc/68/91/62/1210689162.db2.gz SDMUDUIVOWIGEY-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884309085 1210729396 /nfs/dbraw/zinc/72/93/96/1210729396.db2.gz LXRUIPZQFCBCAC-QGZVFWFLSA-N 2 0 361.490 0.674 20 0 FCADRP COCCOCCN1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884388829 1210733083 /nfs/dbraw/zinc/73/30/83/1210733083.db2.gz IEMYNRITSWNTEE-GOSISDBHSA-N 2 0 374.485 0.845 20 0 FCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427122 1210734451 /nfs/dbraw/zinc/73/44/51/1210734451.db2.gz IHYKKWVZQRTQSG-RDJZCZTQSA-N 2 0 361.442 0.454 20 0 FCADRP [NH3+]Cc1ccc2c(c1)N(C(=O)c1ccnc(N3CC[NH2+]CC3)c1)CCO2 ZINC000884449055 1210736376 /nfs/dbraw/zinc/73/63/76/1210736376.db2.gz UOYGAFUPJHWQFK-UHFFFAOYSA-N 2 0 353.426 0.989 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494201 1210739048 /nfs/dbraw/zinc/73/90/48/1210739048.db2.gz MZMOBISWRRHASN-LSDHHAIUSA-N 2 0 374.476 0.832 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884503931 1210740353 /nfs/dbraw/zinc/74/03/53/1210740353.db2.gz XUHCFNDVIYZEFI-BZSNNMDCSA-N 2 0 356.470 0.240 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884509559 1210741933 /nfs/dbraw/zinc/74/19/33/1210741933.db2.gz JNPOLWHWLJVLQI-CRAIPNDOSA-N 2 0 373.501 0.934 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000884517866 1210743421 /nfs/dbraw/zinc/74/34/21/1210743421.db2.gz YFHAYPQBRAMIDD-CZUORRHYSA-N 2 0 362.449 0.854 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000884518094 1210743444 /nfs/dbraw/zinc/74/34/44/1210743444.db2.gz FKBWFAMWXRLJBY-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884539579 1210746445 /nfs/dbraw/zinc/74/64/45/1210746445.db2.gz FFSGKUOZJKYUNA-HDICACEKSA-N 2 0 356.470 0.861 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000884553677 1210749382 /nfs/dbraw/zinc/74/93/82/1210749382.db2.gz FAROWOGXNIKZCI-KBRIMQKVSA-N 2 0 356.470 0.559 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884557399 1210750081 /nfs/dbraw/zinc/75/00/81/1210750081.db2.gz OIWZRYVNRKAWGU-KRWDZBQOSA-N 2 0 373.501 0.892 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884557732 1210751235 /nfs/dbraw/zinc/75/12/35/1210751235.db2.gz XRPYSAKFQNOPAH-ZWKOTPCHSA-N 2 0 371.485 0.515 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884578357 1210756590 /nfs/dbraw/zinc/75/65/90/1210756590.db2.gz YQEQZJLMJRMVSW-OAHLLOKOSA-N 2 0 358.486 0.939 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884597496 1210758313 /nfs/dbraw/zinc/75/83/13/1210758313.db2.gz BYQHTERTMVPNFI-UHFFFAOYSA-N 2 0 367.538 0.250 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884603526 1210760739 /nfs/dbraw/zinc/76/07/39/1210760739.db2.gz LPPNHKXFHDGJJL-ZWKOTPCHSA-N 2 0 374.485 0.044 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884603633 1210761040 /nfs/dbraw/zinc/76/10/40/1210761040.db2.gz NQEYFUVWJZWTHX-ACHSLPGTSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626122 1210765685 /nfs/dbraw/zinc/76/56/85/1210765685.db2.gz BCIUEFORGBAFBB-IAGOWNOFSA-N 2 0 356.470 0.692 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000884629844 1210766925 /nfs/dbraw/zinc/76/69/25/1210766925.db2.gz FUPXKYFDCAGKAE-RANZSIQMSA-N 2 0 356.470 0.728 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000884639995 1210770644 /nfs/dbraw/zinc/77/06/44/1210770644.db2.gz QVWIBXWDZNKGDI-INIZCTEOSA-N 2 0 366.506 0.478 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884640004 1210770782 /nfs/dbraw/zinc/77/07/82/1210770782.db2.gz RCUXMIJHUFWLRT-UHFFFAOYSA-N 2 0 368.522 0.725 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000884639996 1210770807 /nfs/dbraw/zinc/77/08/07/1210770807.db2.gz QVWIBXWDZNKGDI-MRXNPFEDSA-N 2 0 366.506 0.478 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884646739 1210772439 /nfs/dbraw/zinc/77/24/39/1210772439.db2.gz DFMYGMSLUFRAJO-QGZVFWFLSA-N 2 0 374.485 0.209 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C[NH+]1CCCC1 ZINC000884668856 1210775015 /nfs/dbraw/zinc/77/50/15/1210775015.db2.gz FQYHMYYPAGXFHL-AEFFLSMTSA-N 2 0 360.502 0.911 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669651 1210775417 /nfs/dbraw/zinc/77/54/17/1210775417.db2.gz CDWVOKUCFJDFAN-ROUUACIJSA-N 2 0 356.470 0.692 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675878 1210776621 /nfs/dbraw/zinc/77/66/21/1210776621.db2.gz TZFMYQNKYXNNKW-RDJZCZTQSA-N 2 0 358.486 0.739 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1 ZINC000884675729 1210777511 /nfs/dbraw/zinc/77/75/11/1210777511.db2.gz NSQWEOYVWGYMKE-KRWDZBQOSA-N 2 0 362.474 0.038 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000884690796 1210780804 /nfs/dbraw/zinc/78/08/04/1210780804.db2.gz MICKMNJSGCXYSZ-GOSISDBHSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884698228 1210783105 /nfs/dbraw/zinc/78/31/05/1210783105.db2.gz KWVZSNHPZYEUOG-BPQIPLTHSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884698229 1210783474 /nfs/dbraw/zinc/78/34/74/1210783474.db2.gz KWVZSNHPZYEUOG-RYQLBKOJSA-N 2 0 358.486 0.678 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884709703 1210784888 /nfs/dbraw/zinc/78/48/88/1210784888.db2.gz NPSQPOUGHZJQMH-PBHICJAKSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)NCC3([NH3+])CCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884715093 1210785600 /nfs/dbraw/zinc/78/56/00/1210785600.db2.gz IZGIKBXEJRWXSX-FXAWDEMLSA-N 2 0 370.497 0.965 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000884804771 1210796986 /nfs/dbraw/zinc/79/69/86/1210796986.db2.gz JSDDBQJOCPFNAK-HOCLYGCPSA-N 2 0 357.458 0.520 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000884832813 1210800099 /nfs/dbraw/zinc/80/00/99/1210800099.db2.gz AMCVGWZWAJXPBQ-JOCBIADPSA-N 2 0 358.486 0.676 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834481 1210800560 /nfs/dbraw/zinc/80/05/60/1210800560.db2.gz XCKUJOULTQMWAL-WZGPROSRSA-N 2 0 370.497 0.834 20 0 FCADRP CN(C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884847891 1210801139 /nfs/dbraw/zinc/80/11/39/1210801139.db2.gz LGFHMDZSDOJSMG-KRWDZBQOSA-N 2 0 356.470 0.644 20 0 FCADRP CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884885644 1210803014 /nfs/dbraw/zinc/80/30/14/1210803014.db2.gz AVXNQNZCLIHYMC-FUHWJXTLSA-N 2 0 358.486 0.758 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884892815 1210803401 /nfs/dbraw/zinc/80/34/01/1210803401.db2.gz ZIBREDKIWIEUHF-MSOLQXFVSA-N 2 0 360.502 0.911 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000884965290 1210805729 /nfs/dbraw/zinc/80/57/29/1210805729.db2.gz ZJDBHDYUQWZORC-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884974322 1210806030 /nfs/dbraw/zinc/80/60/30/1210806030.db2.gz RWIDNWQBKVQPCZ-HNNXBMFYSA-N 2 0 368.522 0.186 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982633 1210806335 /nfs/dbraw/zinc/80/63/35/1210806335.db2.gz GXTYIBDYDFBRME-MSOLQXFVSA-N 2 0 374.485 0.262 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982602 1210806427 /nfs/dbraw/zinc/80/64/27/1210806427.db2.gz GHRXAHGMBDYSHF-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000885004971 1210807718 /nfs/dbraw/zinc/80/77/18/1210807718.db2.gz PYFUEZMHQTXIFR-WCXIOVBPSA-N 2 0 371.485 0.766 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143462 1210812206 /nfs/dbraw/zinc/81/22/06/1210812206.db2.gz FYPSQXKPVXJJLO-INIZCTEOSA-N 2 0 366.506 0.062 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885152754 1210812897 /nfs/dbraw/zinc/81/28/97/1210812897.db2.gz VXVZXUNGSYAGCH-FGTMMUONSA-N 2 0 356.470 0.370 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157303 1210813537 /nfs/dbraw/zinc/81/35/37/1210813537.db2.gz KOUSQKCSYSCAMP-ROUUACIJSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885204412 1210815632 /nfs/dbraw/zinc/81/56/32/1210815632.db2.gz LUPAPNLIVYPQDT-HOTGVXAUSA-N 2 0 367.538 0.247 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000885276941 1210817148 /nfs/dbraw/zinc/81/71/48/1210817148.db2.gz WCCIBQRACAVGDX-HUUCEWRRSA-N 2 0 372.460 0.824 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000887091199 1210847083 /nfs/dbraw/zinc/84/70/83/1210847083.db2.gz DDBHCHVSKAPWDH-CVEARBPZSA-N 2 0 359.474 0.849 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887091885 1210847314 /nfs/dbraw/zinc/84/73/14/1210847314.db2.gz ZRMRMCSXVJVPDV-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887091886 1210847408 /nfs/dbraw/zinc/84/74/08/1210847408.db2.gz ZRMRMCSXVJVPDV-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887091806 1210847432 /nfs/dbraw/zinc/84/74/32/1210847432.db2.gz WSNVTKIFHPKQLP-HOTGVXAUSA-N 2 0 359.474 0.577 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)O1 ZINC001274162627 1210901064 /nfs/dbraw/zinc/90/10/64/1210901064.db2.gz UOMSSDYCHRGLHH-JKSUJKDBSA-N 2 0 368.522 0.497 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274178375 1210905220 /nfs/dbraw/zinc/90/52/20/1210905220.db2.gz AUANMMICUTVIBZ-VMEOHVCESA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000889433578 1210938970 /nfs/dbraw/zinc/93/89/70/1210938970.db2.gz GYLSPNUIEFYMKL-RDJZCZTQSA-N 2 0 374.489 0.642 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889742970 1210945789 /nfs/dbraw/zinc/94/57/89/1210945789.db2.gz CHSKXOGQYZQVTR-GMNCBBECSA-N 2 0 365.518 0.935 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000889805656 1210954625 /nfs/dbraw/zinc/95/46/25/1210954625.db2.gz QVYVZHLHXOMPLF-YJBOKZPZSA-N 2 0 373.501 0.976 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000890057771 1210962858 /nfs/dbraw/zinc/96/28/58/1210962858.db2.gz NIVYQMQUIVDDEX-GOSISDBHSA-N 2 0 373.501 0.930 20 0 FCADRP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890138313 1210968572 /nfs/dbraw/zinc/96/85/72/1210968572.db2.gz WHVWZMUXALIVBD-GOSISDBHSA-N 2 0 365.522 0.344 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890138267 1210968614 /nfs/dbraw/zinc/96/86/14/1210968614.db2.gz VNBCKTZXAUYXFV-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397061 1211044236 /nfs/dbraw/zinc/04/42/36/1211044236.db2.gz MQYRGYBELHXPNU-QUCCMNQESA-N 2 0 366.550 0.972 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)CNCC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183766 1225258751 /nfs/dbraw/zinc/25/87/51/1225258751.db2.gz MVDWVMXGTXNJLQ-QAQDUYKDSA-N 2 0 362.474 0.620 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001221188418 1225260017 /nfs/dbraw/zinc/26/00/17/1225260017.db2.gz VVSJWXWUVYBJDO-CABCVRRESA-N 2 0 365.430 0.234 20 0 FCADRP Cc1ncc(CO)c(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001275335535 1211216628 /nfs/dbraw/zinc/21/66/28/1211216628.db2.gz NEEJBXOPQSBPJC-IBGZPJMESA-N 2 0 362.474 0.716 20 0 FCADRP CN(C)C(=O)CCN1C[C@]2(CC1=O)CCCCN2Cc1c[nH+]ccc1N ZINC001275455100 1211240991 /nfs/dbraw/zinc/24/09/91/1211240991.db2.gz DOTJZHYXVNJZCK-LJQANCHMSA-N 2 0 359.474 0.929 20 0 FCADRP CN(C)C(=O)CCN1C[C@@]2(CC1=O)CCCCN2Cc1c[nH+]ccc1N ZINC001275455099 1211241062 /nfs/dbraw/zinc/24/10/62/1211241062.db2.gz DOTJZHYXVNJZCK-IBGZPJMESA-N 2 0 359.474 0.929 20 0 FCADRP COC(C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1)OC ZINC001275494193 1211250715 /nfs/dbraw/zinc/25/07/15/1211250715.db2.gz VMOTYTBHXUYQIF-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)OCC1=O ZINC001275504304 1211251558 /nfs/dbraw/zinc/25/15/58/1211251558.db2.gz LVIBWPVUYHLJCP-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP Cn1cncc1CN1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511561 1211252556 /nfs/dbraw/zinc/25/25/56/1211252556.db2.gz KFOSWKRMJHULFP-LJQANCHMSA-N 2 0 363.506 0.811 20 0 FCADRP C[NH+](C)CC(C)(C)CN1CC[C@@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510899 1211252983 /nfs/dbraw/zinc/25/29/83/1211252983.db2.gz BDSOBQUQPMSWNN-HNAYVOBHSA-N 2 0 366.506 0.156 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556951 1211256571 /nfs/dbraw/zinc/25/65/71/1211256571.db2.gz QWGNNNCRWBJPCQ-KXBFYZLASA-N 2 0 367.490 0.583 20 0 FCADRP COC(CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O)OC ZINC001275556988 1211257049 /nfs/dbraw/zinc/25/70/49/1211257049.db2.gz RLNQSTVLWFDLGK-IBGZPJMESA-N 2 0 367.490 0.788 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C3)CC1 ZINC001275576964 1211259125 /nfs/dbraw/zinc/25/91/25/1211259125.db2.gz PTROSLBDAANSFD-HZPDHXFCSA-N 2 0 362.518 0.918 20 0 FCADRP O=C1C[C@@]2(CN1CC1CCOCC1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737601 1211278679 /nfs/dbraw/zinc/27/86/79/1211278679.db2.gz LWWVPGSGNYAQOP-HXUWFJFHSA-N 2 0 365.518 0.964 20 0 FCADRP O=C1N(CCN2CCOCC2)CCC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275737338 1211278725 /nfs/dbraw/zinc/27/87/25/1211278725.db2.gz JSHBUUSMEHCYIP-UHFFFAOYSA-N 2 0 364.534 0.633 20 0 FCADRP O=C1C[C@]2(CN1Cc1ncccn1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737525 1211278891 /nfs/dbraw/zinc/27/88/91/1211278891.db2.gz LBEFWIHFOBZRKY-IBGZPJMESA-N 2 0 359.474 0.527 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738287 1211279193 /nfs/dbraw/zinc/27/91/93/1211279193.db2.gz XUFQENHZXDZELN-LJQANCHMSA-N 2 0 366.506 0.062 20 0 FCADRP COC(=O)[C@H]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)C1 ZINC001275817611 1211290626 /nfs/dbraw/zinc/29/06/26/1211290626.db2.gz PJYZQHPXZRREMO-XIRDDKMYSA-N 2 0 360.458 0.685 20 0 FCADRP COC(CN1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275833561 1211293730 /nfs/dbraw/zinc/29/37/30/1211293730.db2.gz KGIGSYUFVIUIJY-LJQANCHMSA-N 2 0 369.506 0.641 20 0 FCADRP C[NH+](C)CCN1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001275841766 1211296032 /nfs/dbraw/zinc/29/60/32/1211296032.db2.gz DGVHOCRMGXVOMP-FQEVSTJZSA-N 2 0 365.566 0.643 20 0 FCADRP CC(C)OC(=O)CN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275878355 1211304078 /nfs/dbraw/zinc/30/40/78/1211304078.db2.gz JRKGIPDGZLLJRW-QFBILLFUSA-N 2 0 367.490 0.583 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879880 1211304456 /nfs/dbraw/zinc/30/44/56/1211304456.db2.gz QRZLNSVAYAFWFJ-FRQCXROJSA-N 2 0 367.490 0.583 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879881 1211304747 /nfs/dbraw/zinc/30/47/47/1211304747.db2.gz QRZLNSVAYAFWFJ-TXPKVOOTSA-N 2 0 367.490 0.583 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879102 1211306378 /nfs/dbraw/zinc/30/63/78/1211306378.db2.gz NNGPJLLXKDHUAL-ICSRJNTNSA-N 2 0 364.534 0.585 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001095424165 1211333724 /nfs/dbraw/zinc/33/37/24/1211333724.db2.gz HHVHOTHZSQIHBZ-NCOADZHNSA-N 2 0 361.490 0.075 20 0 FCADRP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccnnc3)C2)C1=O ZINC001276039581 1211336337 /nfs/dbraw/zinc/33/63/37/1211336337.db2.gz BVVCPUDVWNIMNI-GOSISDBHSA-N 2 0 354.414 0.751 20 0 FCADRP CNc1ncccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276199520 1211379671 /nfs/dbraw/zinc/37/96/71/1211379671.db2.gz QUPSQQBNRTUGAE-LJQANCHMSA-N 2 0 361.490 0.736 20 0 FCADRP Cc1nn(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001095610130 1211424258 /nfs/dbraw/zinc/42/42/58/1211424258.db2.gz FOJSSIHHMISASZ-UWLPGLTFSA-N 2 0 361.490 0.669 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000924584564 1211474623 /nfs/dbraw/zinc/47/46/23/1211474623.db2.gz GSGDYLHXIRWSMB-KRWDZBQOSA-N 2 0 360.458 0.625 20 0 FCADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693447 1211477241 /nfs/dbraw/zinc/47/72/41/1211477241.db2.gz ZPZJEUGSGGYCKP-WBVHZDCISA-N 2 0 359.474 0.679 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925407529 1211499346 /nfs/dbraw/zinc/49/93/46/1211499346.db2.gz FEPQQOALKRKEOI-IRXDYDNUSA-N 2 0 361.490 0.279 20 0 FCADRP CN(C)c1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ncn1 ZINC000926103744 1211516043 /nfs/dbraw/zinc/51/60/43/1211516043.db2.gz NSGMJLUTFXRXGL-GASCZTMLSA-N 2 0 359.478 0.975 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926393359 1211545090 /nfs/dbraw/zinc/54/50/90/1211545090.db2.gz DGCZNIJHZDSQCT-RTBURBONSA-N 2 0 372.513 0.959 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926393358 1211545293 /nfs/dbraw/zinc/54/52/93/1211545293.db2.gz DGCZNIJHZDSQCT-RBUKOAKNSA-N 2 0 372.513 0.959 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001110956345 1211615040 /nfs/dbraw/zinc/61/50/40/1211615040.db2.gz FAHDFLFMIHNXDK-FPCVCCKLSA-N 2 0 358.490 0.829 20 0 FCADRP COCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961682 1211617516 /nfs/dbraw/zinc/61/75/16/1211617516.db2.gz DTYQCSMRIRQMLE-HZMVEIRTSA-N 2 0 368.522 0.591 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C)[NH+]1CCCC1 ZINC000929178930 1211621249 /nfs/dbraw/zinc/62/12/49/1211621249.db2.gz BNYMWBNMIQITSJ-WBVHZDCISA-N 2 0 374.485 0.769 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001221408572 1225307841 /nfs/dbraw/zinc/30/78/41/1225307841.db2.gz ACUVECWFHUTZDT-DLBZAZTESA-N 2 0 370.457 0.508 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000930958241 1211731469 /nfs/dbraw/zinc/73/14/69/1211731469.db2.gz LEFJQQVVMIFUOB-IRXDYDNUSA-N 2 0 359.474 0.897 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000931603767 1211763023 /nfs/dbraw/zinc/76/30/23/1211763023.db2.gz TVJOGNGCNAKHFC-UHFFFAOYSA-N 2 0 359.474 0.851 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000931608666 1211763118 /nfs/dbraw/zinc/76/31/18/1211763118.db2.gz WXFBCCWSTXRHJZ-OAHLLOKOSA-N 2 0 359.474 0.708 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000932033593 1211793092 /nfs/dbraw/zinc/79/30/92/1211793092.db2.gz CGAMALUKNPJUOQ-SFHVURJKSA-N 2 0 360.502 0.987 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000932033592 1211793643 /nfs/dbraw/zinc/79/36/43/1211793643.db2.gz CGAMALUKNPJUOQ-GOSISDBHSA-N 2 0 360.502 0.987 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)CCC1 ZINC000968869874 1212161376 /nfs/dbraw/zinc/16/13/76/1212161376.db2.gz FTFMUOIGMPRFKI-CVEARBPZSA-N 2 0 371.441 0.120 20 0 FCADRP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277157 1212203528 /nfs/dbraw/zinc/20/35/28/1212203528.db2.gz DDTRHTGURMWVAB-OAGGEKHMSA-N 2 0 365.478 0.610 20 0 FCADRP CC(C)N1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111281361 1212233084 /nfs/dbraw/zinc/23/30/84/1212233084.db2.gz ORJGALSIQXJAJU-NCOADZHNSA-N 2 0 366.506 0.295 20 0 FCADRP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098990 1212290763 /nfs/dbraw/zinc/29/07/63/1212290763.db2.gz QCLIKBLLTALAEB-OAGGEKHMSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)Cc3cncn3C)CC2)CC[N@@H+]1C ZINC000949177422 1212313048 /nfs/dbraw/zinc/31/30/48/1212313048.db2.gz KGTNVRWIOIFNKX-RHSMWYFYSA-N 2 0 361.490 0.658 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662496 1212480316 /nfs/dbraw/zinc/48/03/16/1212480316.db2.gz CPEGFIZZSCNTDR-RYQLBKOJSA-N 2 0 366.506 0.650 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001007481041 1212503434 /nfs/dbraw/zinc/50/34/34/1212503434.db2.gz COUXDJUJENOTRC-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)CC2(C)C)CC[N@@H+]1C ZINC001008202769 1212658453 /nfs/dbraw/zinc/65/84/53/1212658453.db2.gz IAKNDLOQGSHRGX-ARFHVFGLSA-N 2 0 361.490 0.967 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616976 1225399857 /nfs/dbraw/zinc/39/98/57/1225399857.db2.gz YKCCDZCWUZXHID-BRWVUGGUSA-N 2 0 369.506 0.027 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307794 1212958870 /nfs/dbraw/zinc/95/88/70/1212958870.db2.gz LXAAXDXQCDMDEN-HKUYNNGSSA-N 2 0 366.506 0.110 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000089925283 1213053925 /nfs/dbraw/zinc/05/39/25/1213053925.db2.gz ZFDFJMOEWKIKGF-SFHVURJKSA-N 2 0 363.506 0.766 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@@H+]1C ZINC000954411400 1213070916 /nfs/dbraw/zinc/07/09/16/1213070916.db2.gz RDVLNTZKKKQFBY-CXAGYDPISA-N 2 0 355.442 0.957 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000954812337 1213111376 /nfs/dbraw/zinc/11/13/76/1213111376.db2.gz NYNZYNLWDRCDPO-OLMNPRSZSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1NC(=O)Cn1ccnc1 ZINC000958249818 1213393800 /nfs/dbraw/zinc/39/38/00/1213393800.db2.gz KPMKAKNQOYGFJQ-UKRRQHHQSA-N 2 0 359.430 0.815 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCCOC)CC2 ZINC001276316814 1213403360 /nfs/dbraw/zinc/40/33/60/1213403360.db2.gz ZZYSYHOFGNKMOH-MRXNPFEDSA-N 2 0 369.506 0.688 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701516 1225448348 /nfs/dbraw/zinc/44/83/48/1225448348.db2.gz SGMVTUWIECPIBE-MOXMWUHRSA-N 2 0 363.502 0.809 20 0 FCADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960048403 1213595211 /nfs/dbraw/zinc/59/52/11/1213595211.db2.gz WTBFHERJBRFSLY-FHLIZLRMSA-N 2 0 363.506 0.918 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNCc1ncnn1C ZINC000960138850 1213633218 /nfs/dbraw/zinc/63/32/18/1213633218.db2.gz HUDWDJOBNVPGMU-RRFJBIMHSA-N 2 0 357.462 0.823 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[NH+](C)C)c1 ZINC000418837238 1213851143 /nfs/dbraw/zinc/85/11/43/1213851143.db2.gz AAWMKEZIONHPFL-YLJYHZDGSA-N 2 0 374.485 0.769 20 0 FCADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825632 1225505234 /nfs/dbraw/zinc/50/52/34/1225505234.db2.gz WIXQYOUETYDHCO-ICSRJNTNSA-N 2 0 366.550 0.565 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001019072398 1214191742 /nfs/dbraw/zinc/19/17/42/1214191742.db2.gz HCLNBUHLFRRWHA-YESZJQIVSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000419707132 1214269245 /nfs/dbraw/zinc/26/92/45/1214269245.db2.gz FAEATISNAQTAJK-HXUWFJFHSA-N 2 0 358.486 0.761 20 0 FCADRP COc1cncc(C[NH2+]CC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000961987734 1214392760 /nfs/dbraw/zinc/39/27/60/1214392760.db2.gz DDAHPEMJGGGNOC-UWLZSVRSSA-N 2 0 363.462 0.189 20 0 FCADRP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cn1 ZINC000961987692 1214392816 /nfs/dbraw/zinc/39/28/16/1214392816.db2.gz CDFCFBIDDJCNKR-LHUBUQBQSA-N 2 0 362.474 0.794 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001040707773 1214570904 /nfs/dbraw/zinc/57/09/04/1214570904.db2.gz IFOGDTLWLGIOLD-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001040902350 1214617911 /nfs/dbraw/zinc/61/79/11/1214617911.db2.gz RJHMMLPEMWYUCR-FCEWJHQRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000963757734 1214844540 /nfs/dbraw/zinc/84/45/40/1214844540.db2.gz OBPQTLYNRKEFRH-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000963760032 1214845117 /nfs/dbraw/zinc/84/51/17/1214845117.db2.gz ZJSDEBWCMLSRBV-CWQOZTLDSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000964506253 1214970508 /nfs/dbraw/zinc/97/05/08/1214970508.db2.gz JQISWUFVDQUSIG-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000967840374 1215261347 /nfs/dbraw/zinc/26/13/47/1215261347.db2.gz LFXJPMVNTARRNH-OAGGEKHMSA-N 2 0 359.474 0.677 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055645927 1215896481 /nfs/dbraw/zinc/89/64/81/1215896481.db2.gz MGICRPGNIFVXNO-OIISXLGYSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1)[NH+](C)C ZINC001055647337 1215897176 /nfs/dbraw/zinc/89/71/76/1215897176.db2.gz QFWUWMZFKGLBLR-PVAVHDDUSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001001417862 1216192311 /nfs/dbraw/zinc/19/23/11/1216192311.db2.gz GUUHXEIQLUXFNP-KBAYOESNSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329257 1216308859 /nfs/dbraw/zinc/30/88/59/1216308859.db2.gz PVJVRDVURIKXPY-XFIYOXNOSA-N 2 0 363.510 0.876 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)NC(C)C)[C@H]2C1)[NH+](C)C ZINC001222959007 1225669599 /nfs/dbraw/zinc/66/95/99/1225669599.db2.gz HTCDIBKZBUAJCG-ZACQAIPSSA-N 2 0 367.538 0.957 20 0 FCADRP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623893 1216468467 /nfs/dbraw/zinc/46/84/67/1216468467.db2.gz KGOXMRAVSKKCJJ-HYVNUMGLSA-N 2 0 362.474 0.747 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)n(C)n3)C2)CC[N@@H+]1C ZINC001051624746 1216470039 /nfs/dbraw/zinc/47/00/39/1216470039.db2.gz UFOMGOPYZFRWPE-OKZBNKHCSA-N 2 0 363.506 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057966478 1216610989 /nfs/dbraw/zinc/61/09/89/1216610989.db2.gz JFSZEXGZQPLKKE-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H](CCN1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCN(CCO)C(C)(C)C1 ZINC000682035198 1216655647 /nfs/dbraw/zinc/65/56/47/1216655647.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 0 370.582 0.542 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223174878 1225688327 /nfs/dbraw/zinc/68/83/27/1225688327.db2.gz SQMDEBSUITYCJP-NEWSRXKRSA-N 2 0 365.518 0.793 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)CC[NH+](C)C)O3)CC[N@@H+]1C ZINC001068624486 1216751206 /nfs/dbraw/zinc/75/12/06/1216751206.db2.gz PDMZQAGVEZGIMG-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068885195 1216765583 /nfs/dbraw/zinc/76/55/83/1216765583.db2.gz PQYZPZJOTBBOSA-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928337 1216848474 /nfs/dbraw/zinc/84/84/74/1216848474.db2.gz ABEUDSRBQOOZFB-KSZLIROESA-N 2 0 358.490 0.928 20 0 FCADRP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928338 1216848951 /nfs/dbraw/zinc/84/89/51/1216848951.db2.gz ABEUDSRBQOOZFB-KURKYZTESA-N 2 0 358.490 0.928 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354240 1225699739 /nfs/dbraw/zinc/69/97/39/1225699739.db2.gz LQJHDLCSWCKFIR-SQNIBIBYSA-N 2 0 369.506 0.027 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001041294522 1217270464 /nfs/dbraw/zinc/27/04/64/1217270464.db2.gz RKOHLELOFQYVJK-HBFSDRIKSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCN4CCNC4=O)C3)C2)CC[N@@H+]1C ZINC001041297509 1217270908 /nfs/dbraw/zinc/27/09/08/1217270908.db2.gz QFJKNTOCODBMHB-GPMSIDNRSA-N 2 0 363.506 0.276 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@@H+]1C ZINC001041300217 1217272966 /nfs/dbraw/zinc/27/29/66/1217272966.db2.gz GCIFQZOCHTZNQA-SQGPQFPESA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223726510 1225730338 /nfs/dbraw/zinc/73/03/38/1225730338.db2.gz HSDBWWVJEBVZEL-SQNIBIBYSA-N 2 0 371.522 0.275 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223846639 1225740043 /nfs/dbraw/zinc/74/00/43/1225740043.db2.gz PYNDUNUPSBBEOD-SQNIBIBYSA-N 2 0 371.522 0.275 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916417 1225746850 /nfs/dbraw/zinc/74/68/50/1225746850.db2.gz HFMJXBMFRDTUNF-AEFFLSMTSA-N 2 0 363.506 0.730 20 0 FCADRP Cc1cc(C)nc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276932670 1225748095 /nfs/dbraw/zinc/74/80/95/1225748095.db2.gz FJUJMEIGUFXDDA-IBGZPJMESA-N 2 0 359.474 0.996 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223985262 1225751000 /nfs/dbraw/zinc/75/10/00/1225751000.db2.gz WLYSXMDRUAWESR-KURKYZTESA-N 2 0 371.522 0.275 20 0 FCADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001043262024 1217617638 /nfs/dbraw/zinc/61/76/38/1217617638.db2.gz AGYNHFCMAHTFBW-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP COCCCNC(=O)CN1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128984 1225758311 /nfs/dbraw/zinc/75/83/11/1225758311.db2.gz BSXJFYONKXHZBN-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128918 1225758636 /nfs/dbraw/zinc/75/86/36/1225758636.db2.gz ABVFINNKYIUACS-SQNIBIBYSA-N 2 0 369.506 0.029 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)[NH+](C)CC)C2)CC[N@@H+]1C ZINC001043613683 1217684362 /nfs/dbraw/zinc/68/43/62/1217684362.db2.gz VOXKRNKMJGHEMG-LSDHHAIUSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001095964741 1217789347 /nfs/dbraw/zinc/78/93/47/1217789347.db2.gz ABBWKILFCOVZKW-OWSLCNJRSA-N 2 0 361.490 0.307 20 0 FCADRP C[NH+](C)CCn1cc(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)ccc1=O ZINC000900253053 1217974230 /nfs/dbraw/zinc/97/42/30/1217974230.db2.gz VIIHLTQPUKAUPC-OAHLLOKOSA-N 2 0 361.446 0.321 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045969031 1217982000 /nfs/dbraw/zinc/98/20/00/1217982000.db2.gz XUQCMNCNFVAGIZ-CLCXKQKWSA-N 2 0 359.474 0.714 20 0 FCADRP COc1cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000900480579 1217995259 /nfs/dbraw/zinc/99/52/59/1217995259.db2.gz IIMZGYWCENJENS-DNVCBOLYSA-N 2 0 365.474 0.707 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000900867283 1218046638 /nfs/dbraw/zinc/04/66/38/1218046638.db2.gz SCYZOJALQZOIKB-IAGOWNOFSA-N 2 0 367.490 0.585 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000901178391 1218088694 /nfs/dbraw/zinc/08/86/94/1218088694.db2.gz WVZJDRWGOSNOEC-PMPSAXMXSA-N 2 0 366.510 0.374 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)n1 ZINC001096348138 1218255409 /nfs/dbraw/zinc/25/54/09/1218255409.db2.gz CSZKKHJQLJRODH-BDXSIMOUSA-N 2 0 360.506 0.958 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CC1 ZINC001096363676 1218267538 /nfs/dbraw/zinc/26/75/38/1218267538.db2.gz BHLVUYDHJVFKDW-KMFMINBZSA-N 2 0 357.458 0.761 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cn(C)nn1 ZINC000902865348 1218319823 /nfs/dbraw/zinc/31/98/23/1218319823.db2.gz JYKKAJHNIZWYMK-HUUCEWRRSA-N 2 0 372.477 0.761 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543523 1218475560 /nfs/dbraw/zinc/47/55/60/1218475560.db2.gz VQHMSYBTFFWCPJ-BDXSIMOUSA-N 2 0 356.470 0.959 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769870 1218521790 /nfs/dbraw/zinc/52/17/90/1218521790.db2.gz QJNKAXXCCFGWFD-UWVAXJGDSA-N 3 0 374.533 0.767 20 0 FCADRP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793464 1218527518 /nfs/dbraw/zinc/52/75/18/1218527518.db2.gz DSDLOEJVUYWJOL-UHFFFAOYSA-N 2 0 360.502 0.964 20 0 FCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000903794158 1218528459 /nfs/dbraw/zinc/52/84/59/1218528459.db2.gz PCEDTKVLWBZKIA-UHFFFAOYSA-N 2 0 358.486 0.670 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226323217 1225840530 /nfs/dbraw/zinc/84/05/30/1225840530.db2.gz JBVMGEPSOLPUJS-QBPKDAKJSA-N 2 0 368.522 0.496 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001226554680 1225846617 /nfs/dbraw/zinc/84/66/17/1225846617.db2.gz SNPASQOTAHATEI-ARFHVFGLSA-N 2 0 371.501 0.709 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732088 1218861390 /nfs/dbraw/zinc/86/13/90/1218861390.db2.gz XUYVNVUXVMPTLI-KSZLIROESA-N 2 0 358.486 0.788 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226800207 1225854705 /nfs/dbraw/zinc/85/47/05/1225854705.db2.gz HXADMSPMTQMUNS-JFIYKMOQSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccn[nH]3)CC2)CC[N@@H+]1C ZINC001055529088 1219068920 /nfs/dbraw/zinc/06/89/20/1219068920.db2.gz MGBCLYCFORHMLF-UKRRQHHQSA-N 2 0 362.478 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cn[nH]c3)CC2)CC[N@@H+]1C ZINC001055530348 1219069024 /nfs/dbraw/zinc/06/90/24/1219069024.db2.gz GITXDNOPFMWDPG-CZUORRHYSA-N 2 0 362.478 0.060 20 0 FCADRP CCOCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055543579 1219074236 /nfs/dbraw/zinc/07/42/36/1219074236.db2.gz CWFHUWIMDRPWFF-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)/C=C\C3CC3)CC2)CC[N@@H+]1C ZINC001055551417 1219077379 /nfs/dbraw/zinc/07/73/79/1219077379.db2.gz RYTUPSCCFSJYTB-CPHMMYSSSA-N 2 0 362.518 0.990 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804051647 1219104623 /nfs/dbraw/zinc/10/46/23/1219104623.db2.gz APOIPSXKILVEOZ-JKSUJKDBSA-N 2 0 364.490 0.053 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804055941 1219109678 /nfs/dbraw/zinc/10/96/78/1219109678.db2.gz PTHGOYWYVLQNDW-DLBZAZTESA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000804062740 1219117958 /nfs/dbraw/zinc/11/79/58/1219117958.db2.gz KNKZNQQQCNCRAN-JYJNAYRXSA-N 2 0 368.522 0.448 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804062552 1219118188 /nfs/dbraw/zinc/11/81/88/1219118188.db2.gz ICARZSLAICBOHE-DLBZAZTESA-N 2 0 366.506 0.300 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1)OC ZINC001070078176 1219146460 /nfs/dbraw/zinc/14/64/60/1219146460.db2.gz YKKOBYJLRLDFBI-OAGGEKHMSA-N 2 0 362.478 0.140 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCOCCNC(C)=O)CC2)CC[N@@H+]1C ZINC001227454757 1225875453 /nfs/dbraw/zinc/87/54/53/1225875453.db2.gz UDURCECSMINYDX-ZWKOTPCHSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158660 1219246289 /nfs/dbraw/zinc/24/62/89/1219246289.db2.gz UMKKCKWIUMXWHW-SQNIBIBYSA-N 2 0 354.458 0.914 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217646 1219299484 /nfs/dbraw/zinc/29/94/84/1219299484.db2.gz MJQFGNMPZLQHGT-KURKYZTESA-N 2 0 371.489 0.863 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070218910 1219301268 /nfs/dbraw/zinc/30/12/68/1219301268.db2.gz SWLDOZYZBJWTGZ-CVEARBPZSA-N 2 0 364.494 0.386 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)c1 ZINC001070326729 1219376627 /nfs/dbraw/zinc/37/66/27/1219376627.db2.gz ADZVYDJNJDSLSI-KURKYZTESA-N 2 0 369.473 0.475 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070328168 1219379160 /nfs/dbraw/zinc/37/91/60/1219379160.db2.gz QHPOZAWPMIFSBG-BBWFWOEESA-N 2 0 362.478 0.285 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001227901502 1225890326 /nfs/dbraw/zinc/89/03/26/1225890326.db2.gz YVWRFFOKGKCHSG-BFHYXJOUSA-N 2 0 367.494 0.461 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2[NH2+]CCO)c1 ZINC001070509541 1219446198 /nfs/dbraw/zinc/44/61/98/1219446198.db2.gz BZCRZCLMMWYFTB-DOTOQJQBSA-N 2 0 354.414 0.258 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534639 1219457351 /nfs/dbraw/zinc/45/73/51/1219457351.db2.gz FVKYYGDDLAKMKU-HLLBOEOZSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001070629187 1219493619 /nfs/dbraw/zinc/49/36/19/1219493619.db2.gz CYZLYQOLDILQFS-ZACQAIPSSA-N 2 0 371.489 0.295 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001228262107 1225905847 /nfs/dbraw/zinc/90/58/47/1225905847.db2.gz PCCKRXDWTKMZEU-HUUCEWRRSA-N 2 0 367.494 0.333 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001071082749 1219602579 /nfs/dbraw/zinc/60/25/79/1219602579.db2.gz MIXVUDKVQXUJBB-XYPHTWIQSA-N 2 0 366.506 0.188 20 0 FCADRP Cc1nccn1CCCC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000725886074 1219618282 /nfs/dbraw/zinc/61/82/82/1219618282.db2.gz RTHDYPRADJETFO-UHFFFAOYSA-N 2 0 361.490 0.984 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCNC(=O)CC2)C3)CC[N@@H+]1C ZINC001072752365 1219621533 /nfs/dbraw/zinc/62/15/33/1219621533.db2.gz HHVNJPDWGULSLR-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001073061906 1219634582 /nfs/dbraw/zinc/63/45/82/1219634582.db2.gz FKWKWHMVQLYEDT-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP CC1(C)CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749361731 1219793922 /nfs/dbraw/zinc/79/39/22/1219793922.db2.gz CXMIABKELBZHLP-RBUKOAKNSA-N 2 0 368.566 0.296 20 0 FCADRP COCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098674066 1219809669 /nfs/dbraw/zinc/80/96/69/1219809669.db2.gz YNNXATKMASCGEH-HYVNUMGLSA-N 2 0 364.494 0.518 20 0 FCADRP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001098841217 1219838074 /nfs/dbraw/zinc/83/80/74/1219838074.db2.gz DJYIDHJOLRTLSO-ZWOKBUDYSA-N 2 0 360.502 0.531 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099029538 1219892336 /nfs/dbraw/zinc/89/23/36/1219892336.db2.gz DLKJHSZLOJKQAU-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001099062996 1219898780 /nfs/dbraw/zinc/89/87/80/1219898780.db2.gz OEBZTIGNDWYRMV-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001099446016 1219999380 /nfs/dbraw/zinc/99/93/80/1219999380.db2.gz GNSQKOJKIZCBOS-IEZWGBDMSA-N 2 0 360.506 0.874 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001099446991 1220000053 /nfs/dbraw/zinc/00/00/53/1220000053.db2.gz UZJKPDHEQPECHM-ZVZYQTTQSA-N 2 0 361.494 0.269 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001099449126 1220001898 /nfs/dbraw/zinc/00/18/98/1220001898.db2.gz VIFUOTOTSIXZMU-ZVZYQTTQSA-N 2 0 363.510 0.515 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001099487136 1220012467 /nfs/dbraw/zinc/01/24/67/1220012467.db2.gz BRHXCXYWYPCBKA-QKLQHJQFSA-N 2 0 362.518 0.825 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001099487145 1220012642 /nfs/dbraw/zinc/01/26/42/1220012642.db2.gz CCHSGWGPZGNJEF-LPHOPBHVSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001099526359 1220023254 /nfs/dbraw/zinc/02/32/54/1220023254.db2.gz LHHDPUSPDFZXJH-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101257209 1220249673 /nfs/dbraw/zinc/24/96/73/1220249673.db2.gz KSWJYDWEMGOSJR-MDZRGWNJSA-N 2 0 368.497 0.679 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285030 1220266566 /nfs/dbraw/zinc/26/65/66/1220266566.db2.gz LRAFVNPYFSDDSX-LPMFXHHGSA-N 2 0 364.490 0.302 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101349824 1220297204 /nfs/dbraw/zinc/29/72/04/1220297204.db2.gz GMZOVPPVIWYNNF-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)CC1 ZINC001101351166 1220297638 /nfs/dbraw/zinc/29/76/38/1220297638.db2.gz VVPZJPDPRKDNNF-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101354061 1220298542 /nfs/dbraw/zinc/29/85/42/1220298542.db2.gz OBSRDCULPDSOFB-POAQFYNOSA-N 2 0 364.534 0.879 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363982 1220302673 /nfs/dbraw/zinc/30/26/73/1220302673.db2.gz JBWXHFZALAACGF-HLIPFELVSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364492 1220302956 /nfs/dbraw/zinc/30/29/56/1220302956.db2.gz UVTFAAZMJYCTSJ-HLIPFELVSA-N 2 0 364.534 0.881 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365807 1220304393 /nfs/dbraw/zinc/30/43/93/1220304393.db2.gz KUGRODJEICOCNL-AOIWGVFYSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101397654 1220323201 /nfs/dbraw/zinc/32/32/01/1220323201.db2.gz BCHLSNSWSNTFFT-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431379 1220341763 /nfs/dbraw/zinc/34/17/63/1220341763.db2.gz MCIFUJWKSFJCBE-MDZRGWNJSA-N 2 0 362.518 0.907 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001101464385 1220361755 /nfs/dbraw/zinc/36/17/55/1220361755.db2.gz GHVFCWOEOMDFJM-HLIPFELVSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101474961 1220366411 /nfs/dbraw/zinc/36/64/11/1220366411.db2.gz DHQXRAGGIJKLTA-GGPKGHCWSA-N 2 0 367.534 0.896 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975871 1220449868 /nfs/dbraw/zinc/44/98/68/1220449868.db2.gz FCXPVNJXKAHOBS-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045891 1220476137 /nfs/dbraw/zinc/47/61/37/1220476137.db2.gz BBACEJVZWQDBEK-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047761 1220476939 /nfs/dbraw/zinc/47/69/39/1220476939.db2.gz RZTNETMJZYQOGW-LSBZLQRGSA-N 2 0 360.502 0.910 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051611 1220479240 /nfs/dbraw/zinc/47/92/40/1220479240.db2.gz ALKGUVPWQHHQGZ-BFYDXBDKSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102060590 1220482079 /nfs/dbraw/zinc/48/20/79/1220482079.db2.gz HOXNWTDJSBDQJA-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP COC(=O)c1cc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)nn1C ZINC001277350917 1225973862 /nfs/dbraw/zinc/97/38/62/1225973862.db2.gz BUQJCMXFUKTZDK-SFHVURJKSA-N 2 0 363.462 0.193 20 0 FCADRP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)C1CC1 ZINC001102312854 1220581892 /nfs/dbraw/zinc/58/18/92/1220581892.db2.gz REBSVBPJMZZWRE-IIDMSEBBSA-N 2 0 364.534 0.927 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337670 1220586517 /nfs/dbraw/zinc/58/65/17/1220586517.db2.gz NTGXBJQYIBEWFA-JFIYKMOQSA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430321 1220622145 /nfs/dbraw/zinc/62/21/45/1220622145.db2.gz MOHNYBRPUTZUEL-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511003 1220670475 /nfs/dbraw/zinc/67/04/75/1220670475.db2.gz FIVZEKIJIHBKNC-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520299 1220678854 /nfs/dbraw/zinc/67/88/54/1220678854.db2.gz FBZQOSFDICNPJF-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001229193715 1225987435 /nfs/dbraw/zinc/98/74/35/1225987435.db2.gz CVCOWZYOQTYFQR-IIAWOOMASA-N 2 0 369.510 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001103003579 1220818960 /nfs/dbraw/zinc/81/89/60/1220818960.db2.gz RZKXOVUAFUPFQA-JOCBIADPSA-N 2 0 364.534 0.927 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157758 1220841561 /nfs/dbraw/zinc/84/15/61/1220841561.db2.gz BBKPBYCWBKIHBV-MGPQQGTHSA-N 2 0 369.510 0.374 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185585 1220847633 /nfs/dbraw/zinc/84/76/33/1220847633.db2.gz FNDOFILFTHXONN-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365225 1220871381 /nfs/dbraw/zinc/87/13/81/1220871381.db2.gz URJYCTIBDBDARZ-ZACQAIPSSA-N 2 0 368.522 0.306 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103550158 1220899188 /nfs/dbraw/zinc/89/91/88/1220899188.db2.gz BRJSDKVCOSJJPR-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nn1 ZINC001103643810 1220925542 /nfs/dbraw/zinc/92/55/42/1220925542.db2.gz RIAQGBZKPDHQII-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647194 1220928007 /nfs/dbraw/zinc/92/80/07/1220928007.db2.gz YZVOTDKKBLKZEJ-BZUAXINKSA-N 2 0 362.518 0.824 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722295 1220951754 /nfs/dbraw/zinc/95/17/54/1220951754.db2.gz GPXVJYMDBUSXHA-SJLPKXTDSA-N 2 0 368.522 0.309 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103755372 1220965969 /nfs/dbraw/zinc/96/59/69/1220965969.db2.gz DTRABUKZXSSWAM-IAGOWNOFSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103755373 1220966223 /nfs/dbraw/zinc/96/62/23/1220966223.db2.gz DYZHTXCDGAWUBE-HZPDHXFCSA-N 2 0 366.506 0.550 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)CC[N@@H+]1C ZINC001111752466 1221090405 /nfs/dbraw/zinc/09/04/05/1221090405.db2.gz RQRZKOBMVPUBPZ-ASKNOMKYSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855690 1221137283 /nfs/dbraw/zinc/13/72/83/1221137283.db2.gz IMCGFRWHQFICSN-SIFCLUCFSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001111853991 1221137437 /nfs/dbraw/zinc/13/74/37/1221137437.db2.gz DXUBUIDALJCKCH-LNLFQRSKSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001111864372 1221141204 /nfs/dbraw/zinc/14/12/04/1221141204.db2.gz MVTZKJNWYMWWKI-BXWFABGCSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000782582171 1221172722 /nfs/dbraw/zinc/17/27/22/1221172722.db2.gz XAZNDGXFGPSTSE-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCOCC1)C2 ZINC001111926777 1221173442 /nfs/dbraw/zinc/17/34/42/1221173442.db2.gz ICPXUZLQIYXCNN-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C2 ZINC001111938062 1221179219 /nfs/dbraw/zinc/17/92/19/1221179219.db2.gz JLIGPGWPNXOEOH-KXBFYZLASA-N 2 0 368.522 0.450 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938112 1221179228 /nfs/dbraw/zinc/17/92/28/1221179228.db2.gz LTSMUTOSRWRNKP-GUXCAODWSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001112005206 1221199130 /nfs/dbraw/zinc/19/91/30/1221199130.db2.gz ZHXRMLHMOUBRAC-KXBFYZLASA-N 2 0 364.490 0.446 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112285482 1221230261 /nfs/dbraw/zinc/23/02/61/1221230261.db2.gz ZCRNOTHVEFKQHX-ZWOKBUDYSA-N 2 0 362.518 0.825 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112379116 1221248560 /nfs/dbraw/zinc/24/85/60/1221248560.db2.gz QVIINFDPUHFCJD-FCEWJHQRSA-N 2 0 370.513 0.973 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692528 1226028135 /nfs/dbraw/zinc/02/81/35/1226028135.db2.gz JGFCSVFVPFCTAC-RRFJBIMHSA-N 2 0 367.494 0.191 20 0 FCADRP CC(C)n1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)nn1 ZINC001229710574 1226029390 /nfs/dbraw/zinc/02/93/90/1226029390.db2.gz QHBLCDNIQSPAQJ-IAGOWNOFSA-N 2 0 366.510 0.954 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001229709520 1226029501 /nfs/dbraw/zinc/02/95/01/1226029501.db2.gz GVUOADPGQMUCSY-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H](CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179095 1221304809 /nfs/dbraw/zinc/30/48/09/1221304809.db2.gz AQHUBNSINOEWEN-OTJKEOIZSA-N 2 0 366.462 0.626 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3C(=O)NCC[C@H]3C)cc2)CC1 ZINC000799346053 1221309821 /nfs/dbraw/zinc/30/98/21/1221309821.db2.gz VKRXQWVSHKUUAM-BEFAXECRSA-N 2 0 373.501 0.881 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808537 1226035876 /nfs/dbraw/zinc/03/58/76/1226035876.db2.gz UMVIELQMGPGGLP-RRFJBIMHSA-N 2 0 369.510 0.579 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229807888 1226035952 /nfs/dbraw/zinc/03/59/52/1226035952.db2.gz IIGUHGPTHQHROC-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229876843 1226037946 /nfs/dbraw/zinc/03/79/46/1226037946.db2.gz DPLZHQSQGWRVJS-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)NC[C@H]1CCOC1 ZINC001230147296 1226058506 /nfs/dbraw/zinc/05/85/06/1226058506.db2.gz BPTGODIPODABRL-BRWVUGGUSA-N 2 0 366.506 0.252 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC001118147736 1221719977 /nfs/dbraw/zinc/71/99/77/1221719977.db2.gz JANOYTXCZAPCNV-UHFFFAOYSA-N 2 0 361.490 0.536 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001230243650 1226067269 /nfs/dbraw/zinc/06/72/69/1226067269.db2.gz UAGJOVPJRCUVHP-RRFJBIMHSA-N 2 0 367.494 0.463 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cn1 ZINC001118330145 1221760859 /nfs/dbraw/zinc/76/08/59/1221760859.db2.gz GDFZGGFZKMNHHI-CYBMUJFWSA-N 2 0 371.445 0.233 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001118551646 1221799709 /nfs/dbraw/zinc/79/97/09/1221799709.db2.gz PARQMUJOBAONEO-OAHLLOKOSA-N 2 0 361.490 0.382 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230274774 1226070707 /nfs/dbraw/zinc/07/07/07/1226070707.db2.gz KZJLRDJWHXQBBR-BRWVUGGUSA-N 2 0 370.538 0.885 20 0 FCADRP CC1CC(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001118812698 1221831667 /nfs/dbraw/zinc/83/16/67/1221831667.db2.gz KBVOMSWMAODNEM-UHFFFAOYSA-N 2 0 373.501 0.872 20 0 FCADRP CONC(=O)C1CC[NH+](CC(C)C[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001119323577 1221899650 /nfs/dbraw/zinc/89/96/50/1221899650.db2.gz BEPJOEGLTFAVGT-UHFFFAOYSA-N 2 0 370.494 0.402 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC001119349227 1221902655 /nfs/dbraw/zinc/90/26/55/1221902655.db2.gz NFLOBLFWUWTFNL-GVDBMIGSSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+]1CC=C(CNc2nc(NCC3=CC[N@H+](C)CC3)cc(C(N)=O)n2)CC1 ZINC001120031306 1222010813 /nfs/dbraw/zinc/01/08/13/1222010813.db2.gz QOZQPVPBUUVJCJ-UHFFFAOYSA-N 2 0 371.489 0.923 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001121917561 1222223646 /nfs/dbraw/zinc/22/36/46/1222223646.db2.gz WHABCLYKXDKHSC-HXUWFJFHSA-N 2 0 361.486 0.764 20 0 FCADRP [NH3+]CCc1cnc2c(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cnn2c1 ZINC001121926402 1222225804 /nfs/dbraw/zinc/22/58/04/1222225804.db2.gz NQDMABDSLRNJPC-OAHLLOKOSA-N 2 0 358.446 0.025 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001121935794 1222226304 /nfs/dbraw/zinc/22/63/04/1222226304.db2.gz CWEMTOGKYNADHH-ABAIWWIYSA-N 2 0 373.375 0.727 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001122009276 1222232482 /nfs/dbraw/zinc/23/24/82/1222232482.db2.gz KDQQZMIUMMJTHL-UHFFFAOYSA-N 2 0 371.485 0.953 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265321 1222257173 /nfs/dbraw/zinc/25/71/73/1222257173.db2.gz KTPKDXCSEFUOJX-INIZCTEOSA-N 2 0 358.442 0.273 20 0 FCADRP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122521718 1222279743 /nfs/dbraw/zinc/27/97/43/1222279743.db2.gz QLCRYRDLGRRASR-ROUUACIJSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513296 1222336286 /nfs/dbraw/zinc/33/62/86/1222336286.db2.gz WRABSNRJTUPXMN-QFBILLFUSA-N 2 0 357.502 0.761 20 0 FCADRP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+]2C)(N2CCOCC2)CC1 ZINC001123625443 1222345301 /nfs/dbraw/zinc/34/53/01/1222345301.db2.gz SEVFONUWIGNWGX-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001123637557 1222345695 /nfs/dbraw/zinc/34/56/95/1222345695.db2.gz VXKYFGAMDRFBSQ-HCXYKTFWSA-N 2 0 363.550 0.392 20 0 FCADRP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123695607 1222351221 /nfs/dbraw/zinc/35/12/21/1222351221.db2.gz UXMFGXVADWMSLV-SJLPKXTDSA-N 2 0 367.538 0.375 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC001123775322 1222355509 /nfs/dbraw/zinc/35/55/09/1222355509.db2.gz UFLBWXXAJSPTBT-VBSBHUPXSA-N 2 0 372.513 0.374 20 0 FCADRP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000828409252 1222403372 /nfs/dbraw/zinc/40/33/72/1222403372.db2.gz IOKAENDVHPCWDN-HNNXBMFYSA-N 2 0 370.538 0.886 20 0 FCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000829500346 1222439608 /nfs/dbraw/zinc/43/96/08/1222439608.db2.gz KWTWAOIKZIBFHC-CVEARBPZSA-N 2 0 374.489 0.526 20 0 FCADRP O=C1CC[C@@H](CN2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)N1 ZINC001202830351 1222508448 /nfs/dbraw/zinc/50/84/48/1222508448.db2.gz BFBYERHSFMIBPT-HNNXBMFYSA-N 2 0 362.478 0.375 20 0 FCADRP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771331 1222524028 /nfs/dbraw/zinc/52/40/28/1222524028.db2.gz MGDGSHIEJCTPCW-HXUWFJFHSA-N 2 0 374.485 0.550 20 0 FCADRP Cc1nccnc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001140936303 1222622699 /nfs/dbraw/zinc/62/26/99/1222622699.db2.gz DICOABSXOFJYRD-UHFFFAOYSA-N 2 0 360.506 0.455 20 0 FCADRP COCCN1C[C@@H]2C[N@H+](Cc3ccccc3N3CC[NH+](C)CC3)C[C@@H]2C1=O ZINC001140972001 1222626266 /nfs/dbraw/zinc/62/62/66/1222626266.db2.gz PNHBRQZARMQXOB-OALUTQOASA-N 2 0 372.513 0.975 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)COC1(C)C ZINC001161210669 1222637481 /nfs/dbraw/zinc/63/74/81/1222637481.db2.gz YAISGFJEVSPEQD-BBRMVZONSA-N 2 0 366.506 0.535 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838302254 1222677022 /nfs/dbraw/zinc/67/70/22/1222677022.db2.gz OKINPPJLVGADEY-DLBZAZTESA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)[N@H+]1CCO ZINC000838475422 1222681010 /nfs/dbraw/zinc/68/10/10/1222681010.db2.gz DHYVEQVGEOPWFS-SOLBZPMBSA-N 2 0 368.522 0.726 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475741 1222681499 /nfs/dbraw/zinc/68/14/99/1222681499.db2.gz JPSASEIZWPMOIE-ZWKOTPCHSA-N 2 0 368.522 0.776 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000841018254 1222805432 /nfs/dbraw/zinc/80/54/32/1222805432.db2.gz RMTHDYHFNUGPII-UHFFFAOYSA-N 2 0 374.489 0.382 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841137239 1222809685 /nfs/dbraw/zinc/80/96/85/1222809685.db2.gz SLIDJQHPXGIVGA-IBGZPJMESA-N 2 0 360.458 0.907 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841165480 1222811642 /nfs/dbraw/zinc/81/16/42/1222811642.db2.gz XEGDXWKFDXKBLC-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000841174496 1222811990 /nfs/dbraw/zinc/81/19/90/1222811990.db2.gz ZWYJVYNVKDLVQT-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841179461 1222812276 /nfs/dbraw/zinc/81/22/76/1222812276.db2.gz ZXYWLDZWQUXXCV-HNNXBMFYSA-N 2 0 361.490 0.867 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000841210170 1222813581 /nfs/dbraw/zinc/81/35/81/1222813581.db2.gz QQXLQJAWQODOQT-HOTGVXAUSA-N 2 0 373.501 0.976 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000841246679 1222816202 /nfs/dbraw/zinc/81/62/02/1222816202.db2.gz ZIDHIYRVHSXYNG-UHFFFAOYSA-N 2 0 359.474 0.586 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000841250428 1222816272 /nfs/dbraw/zinc/81/62/72/1222816272.db2.gz PQJINDXWBCKPMR-JKSUJKDBSA-N 2 0 371.485 0.587 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000841277315 1222817704 /nfs/dbraw/zinc/81/77/04/1222817704.db2.gz ZKMCJZUBCZRCOW-CVEARBPZSA-N 2 0 373.501 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000841282987 1222818026 /nfs/dbraw/zinc/81/80/26/1222818026.db2.gz ZXUDXWFAMBTCJA-RHSMWYFYSA-N 2 0 359.474 0.573 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842089108 1222835327 /nfs/dbraw/zinc/83/53/27/1222835327.db2.gz XPQCFFXZFVPARY-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC([NH3+])CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842189763 1222839739 /nfs/dbraw/zinc/83/97/39/1222839739.db2.gz QFVGCSRTSLCKDY-HXUWFJFHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000842190596 1222839807 /nfs/dbraw/zinc/83/98/07/1222839807.db2.gz UYIPRHRKQGXPBS-MDYRTPRTSA-N 2 0 358.486 0.820 20 0 FCADRP [NH3+]C1(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000842513093 1222848536 /nfs/dbraw/zinc/84/85/36/1222848536.db2.gz RWNAFMOHNOMMRV-UHFFFAOYSA-N 3 0 368.485 0.779 20 0 FCADRP Nc1cn(C(=O)CC[NH+]2CCCCC2)ccc1=[NH+]CCN1CCOCC1 ZINC001142916782 1222854756 /nfs/dbraw/zinc/85/47/56/1222854756.db2.gz WXIGYJMSKPASDO-UHFFFAOYSA-N 2 0 361.490 0.819 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C)n1 ZINC001277689962 1226158883 /nfs/dbraw/zinc/15/88/83/1226158883.db2.gz MRVFVGQLJLJYTI-LJQANCHMSA-N 2 0 362.474 0.764 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843208950 1222860726 /nfs/dbraw/zinc/86/07/26/1222860726.db2.gz WRXVVDKJXBJQBR-HNNXBMFYSA-N 2 0 358.446 0.804 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000843243333 1222862298 /nfs/dbraw/zinc/86/22/98/1222862298.db2.gz ASZAKFSHHTYRGT-BBWFWOEESA-N 2 0 368.522 0.354 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)c1 ZINC000843267011 1222868654 /nfs/dbraw/zinc/86/86/54/1222868654.db2.gz RWLPETDNZOTNEG-UHFFFAOYSA-N 2 0 363.462 0.374 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4ncncc34)CC[C@@H]2C1 ZINC001232655251 1226159691 /nfs/dbraw/zinc/15/96/91/1226159691.db2.gz LJXAOSJOZUWXER-RHSMWYFYSA-N 2 0 372.473 0.520 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)nn1 ZINC000843336582 1222870461 /nfs/dbraw/zinc/87/04/61/1222870461.db2.gz YWOPHHNNPGMKRE-ZDUSSCGKSA-N 2 0 372.429 0.788 20 0 FCADRP COc1ccnc(N(C(=O)CCN2CC[NH+](C)CC2)C2CC[NH2+]CC2)c1 ZINC001143231935 1222872195 /nfs/dbraw/zinc/87/21/95/1222872195.db2.gz WQSWHEKOUMCMTB-UHFFFAOYSA-N 2 0 361.490 0.813 20 0 FCADRP CN1CC[NH+](CCC(=O)NCc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001143236746 1222872951 /nfs/dbraw/zinc/87/29/51/1222872951.db2.gz SQWGBGPYVHPCEC-UHFFFAOYSA-N 2 0 359.518 0.692 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363626 1222873724 /nfs/dbraw/zinc/87/37/24/1222873724.db2.gz DMMNFKWHFPFHKI-UHFFFAOYSA-N 2 0 358.486 0.966 20 0 FCADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843368337 1222873809 /nfs/dbraw/zinc/87/38/09/1222873809.db2.gz QSPFTYHYILPTDM-QGZVFWFLSA-N 2 0 363.462 0.348 20 0 FCADRP Cn1ncc2c1n(C)cc(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c2=O ZINC001151536718 1222930427 /nfs/dbraw/zinc/93/04/27/1222930427.db2.gz WXFMFZJZIOMSHP-ZIAGYGMSSA-N 2 0 374.489 0.083 20 0 FCADRP Nc1cn(C(=O)c2ccc3c[nH+]cn3c2)ccc1=[NH+]CCN1CCOCC1 ZINC001152197183 1222944636 /nfs/dbraw/zinc/94/46/36/1222944636.db2.gz RVRDGJOTVAJDQB-UHFFFAOYSA-N 2 0 366.425 0.639 20 0 FCADRP CCOC(=O)[C@]12CN(c3nccc(N4CCC([NH3+])CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154686856 1223015836 /nfs/dbraw/zinc/01/58/36/1223015836.db2.gz HRRGKVIOKVLSHC-AUUYWEPGSA-N 2 0 374.489 0.383 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001155232496 1223030546 /nfs/dbraw/zinc/03/05/46/1223030546.db2.gz UCMVEPBGUQYFIU-HNNXBMFYSA-N 2 0 364.494 0.947 20 0 FCADRP CN1CCC(CNc2ncccc2C(=O)N2CC[NH2+]CC2)([NH+](C)C)CC1 ZINC001156184843 1223051438 /nfs/dbraw/zinc/05/14/38/1223051438.db2.gz FRDCAWSJELVETD-UHFFFAOYSA-N 2 0 360.506 0.565 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3ccc4cc(C[NH3+])cnc43)n1)CC[NH2+]CC2 ZINC001156593522 1223059836 /nfs/dbraw/zinc/05/98/36/1223059836.db2.gz KDEVBSKQYRIFBE-UHFFFAOYSA-N 2 0 372.454 0.366 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)C[C@@H]([NH3+])Cc1ccncc1)C(=O)N1CCCC1 ZINC001157369441 1223074780 /nfs/dbraw/zinc/07/47/80/1223074780.db2.gz SSSKYOUQDXMMKX-IRXDYDNUSA-N 2 0 361.490 0.578 20 0 FCADRP CC1(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC[NH2+]CC1 ZINC001157397961 1223075405 /nfs/dbraw/zinc/07/54/05/1223075405.db2.gz ZQIYRRIZKSPBEJ-UHFFFAOYSA-N 2 0 363.466 0.099 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157744716 1223080985 /nfs/dbraw/zinc/08/09/85/1223080985.db2.gz KUYWSITWNPWORY-RLFYNMQTSA-N 3 0 371.501 0.113 20 0 FCADRP Cc1ccc([C@@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720603 1223081274 /nfs/dbraw/zinc/08/12/74/1223081274.db2.gz MKGNONXEBJUMMV-OALUTQOASA-N 2 0 360.502 0.906 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001157978367 1223086027 /nfs/dbraw/zinc/08/60/27/1223086027.db2.gz SVYSSVOGLFHKAM-BRWVUGGUSA-N 2 0 365.522 0.665 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071088 1223088065 /nfs/dbraw/zinc/08/80/65/1223088065.db2.gz UISBXSXGJBRTBQ-QRWLVFNGSA-N 2 0 370.453 0.077 20 0 FCADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001158077174 1223088606 /nfs/dbraw/zinc/08/86/06/1223088606.db2.gz QOEPHDJNWHXJLB-UWJYYQICSA-N 2 0 370.497 0.693 20 0 FCADRP O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001158101869 1223088870 /nfs/dbraw/zinc/08/88/70/1223088870.db2.gz NHHSKDJVWFWEMN-WOJBJXKFSA-N 2 0 356.470 0.289 20 0 FCADRP Cc1ccc(C2(CC(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)CC[NH2+]CC2)cc1 ZINC001158101206 1223089032 /nfs/dbraw/zinc/08/90/32/1223089032.db2.gz HGYAKTWMZSHBOR-NRFANRHFSA-N 2 0 370.497 0.697 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001158101861 1223089181 /nfs/dbraw/zinc/08/91/81/1223089181.db2.gz NFMYJEJASPIZBZ-PXNSSMCTSA-N 2 0 352.438 0.920 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001158101621 1223089263 /nfs/dbraw/zinc/08/92/63/1223089263.db2.gz KIQVIUZRMAWEDU-CZUORRHYSA-N 2 0 370.375 0.786 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)c1ccc2ccccc2c1 ZINC001158119001 1223089358 /nfs/dbraw/zinc/08/93/58/1223089358.db2.gz FNRCLELKHKFBBR-UTKZUKDTSA-N 2 0 364.449 0.778 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158130766 1223089665 /nfs/dbraw/zinc/08/96/65/1223089665.db2.gz FLWKIBPROQRJSE-QGZVFWFLSA-N 2 0 374.485 0.391 20 0 FCADRP O=C([C@H]1[NH2+]CCC[C@H]1C(F)(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261078 1223092538 /nfs/dbraw/zinc/09/25/38/1223092538.db2.gz JVHKIYUQPHIQIB-YPMHNXCESA-N 2 0 372.395 0.630 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001158413168 1223097246 /nfs/dbraw/zinc/09/72/46/1223097246.db2.gz WYJNPNGIWBOUGE-AEGPPILISA-N 2 0 367.494 0.189 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC001158424471 1223097352 /nfs/dbraw/zinc/09/73/52/1223097352.db2.gz RZHXKIUCMGWPPV-VSZNYVQBSA-N 2 0 356.470 0.429 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC001158467395 1223099396 /nfs/dbraw/zinc/09/93/96/1223099396.db2.gz HMRFQMWYLRTECZ-ZRGWGRIASA-N 2 0 365.474 0.146 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1[NH2+]CCc2cc(OC)ccc21 ZINC001158497707 1223100492 /nfs/dbraw/zinc/10/04/92/1223100492.db2.gz DVVQXQFXIDGZRE-RUGDWHBFSA-N 2 0 373.453 0.634 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001158497712 1223100851 /nfs/dbraw/zinc/10/08/51/1223100851.db2.gz FCWZUUHBEGCIHO-RFQIPJPRSA-N 2 0 369.462 0.188 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158545427 1223101713 /nfs/dbraw/zinc/10/17/13/1223101713.db2.gz DGLHFUQMAINAOT-MDZRGWNJSA-N 2 0 359.474 0.368 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558584 1223102220 /nfs/dbraw/zinc/10/22/20/1223102220.db2.gz SQAGKPIPWNZNQH-SBHAEUEKSA-N 3 0 371.529 0.343 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@@H]3NC4=O)C[C@H]2CF)CC1 ZINC001158580888 1223102770 /nfs/dbraw/zinc/10/27/70/1223102770.db2.gz CZEUQKIFGHCDCN-ZFVVBOAOSA-N 2 0 372.444 0.634 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579860 1223102873 /nfs/dbraw/zinc/10/28/73/1223102873.db2.gz YOUSIPVQGNGUBN-XHSDSOJGSA-N 2 0 362.449 0.208 20 0 FCADRP C[C@H]1C(=O)Nc2cnc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)nc2N1C ZINC001158581857 1223102995 /nfs/dbraw/zinc/10/29/95/1223102995.db2.gz YXOSGGYMTVNIOV-ZDUSSCGKSA-N 2 0 373.505 0.906 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001158602325 1223103001 /nfs/dbraw/zinc/10/30/01/1223103001.db2.gz XUUQIPHFTQLJEK-CQSZACIVSA-N 2 0 355.442 0.714 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@H]3NC4=O)C[C@H]2CF)CC1 ZINC001158580887 1223103223 /nfs/dbraw/zinc/10/32/23/1223103223.db2.gz CZEUQKIFGHCDCN-VJUNAUMWSA-N 2 0 372.444 0.634 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158637242 1223103637 /nfs/dbraw/zinc/10/36/37/1223103637.db2.gz SZWFZBXIJJNNIZ-KDOFPFPSSA-N 2 0 360.462 0.136 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661946 1223104918 /nfs/dbraw/zinc/10/49/18/1223104918.db2.gz ZYOATCGUTXJAIU-ZDUSSCGKSA-N 3 0 359.434 0.100 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158697582 1223105555 /nfs/dbraw/zinc/10/55/55/1223105555.db2.gz DHXMTCCPWDSQMU-GOSISDBHSA-N 2 0 362.522 0.737 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158697829 1223105711 /nfs/dbraw/zinc/10/57/11/1223105711.db2.gz IAUUOMCNZGXOTD-GGXPGOJBSA-N 2 0 366.506 0.461 20 0 FCADRP [NH3+]CCc1cn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2cccnc12 ZINC001158751801 1223107311 /nfs/dbraw/zinc/10/73/11/1223107311.db2.gz OSGJGVFKSWHENZ-UHFFFAOYSA-N 2 0 365.441 0.757 20 0 FCADRP CC(C)N(C(=O)[C@@H]1CC[NH2+]1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871786 1223111565 /nfs/dbraw/zinc/11/15/65/1223111565.db2.gz TXWDSENPYCNKCG-INIZCTEOSA-N 2 0 374.489 0.105 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158891387 1223112113 /nfs/dbraw/zinc/11/21/13/1223112113.db2.gz YGSRNJFVGLPMNI-OAHLLOKOSA-N 2 0 368.522 0.722 20 0 FCADRP NC1(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901868 1223112286 /nfs/dbraw/zinc/11/22/86/1223112286.db2.gz ILKAUARLVCTBQG-DYVFJYSZSA-N 2 0 363.437 0.156 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934954 1223113372 /nfs/dbraw/zinc/11/33/72/1223113372.db2.gz LSUQDZAKCDYZOY-YESZJQIVSA-N 2 0 359.474 0.630 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934953 1223113387 /nfs/dbraw/zinc/11/33/87/1223113387.db2.gz LSUQDZAKCDYZOY-GVDBMIGSSA-N 2 0 359.474 0.630 20 0 FCADRP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@H]2C[NH2+]CC24C[NH2+]C4)CC3)cn1 ZINC001158983654 1223114612 /nfs/dbraw/zinc/11/46/12/1223114612.db2.gz WJZMLUCQLAYRPT-GOEBONIOSA-N 2 0 359.474 0.094 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135062 1223118347 /nfs/dbraw/zinc/11/83/47/1223118347.db2.gz RCNDRVRAXJIYQT-QFBILLFUSA-N 2 0 359.474 0.631 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159135637 1223118478 /nfs/dbraw/zinc/11/84/78/1223118478.db2.gz XOWONGSRWQOORX-RMRDIRSESA-N 2 0 373.501 0.746 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccc([C@@H](N)C[NH3+])cc2)C1 ZINC001159134814 1223118536 /nfs/dbraw/zinc/11/85/36/1223118536.db2.gz PTMXVYMYHNAPSC-PBHICJAKSA-N 2 0 356.474 0.675 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC001159191066 1223120152 /nfs/dbraw/zinc/12/01/52/1223120152.db2.gz AOCZKARTKQDRMI-UHFFFAOYSA-N 2 0 361.446 0.161 20 0 FCADRP N[C@]1(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CCC[NH2+]C1 ZINC001159236597 1223121535 /nfs/dbraw/zinc/12/15/35/1223121535.db2.gz RQAOTJDQEXIDJZ-LJQANCHMSA-N 2 0 369.473 0.038 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235071 1223121587 /nfs/dbraw/zinc/12/15/87/1223121587.db2.gz QRQXXPPYPUYVNZ-JKSUJKDBSA-N 2 0 372.448 0.905 20 0 FCADRP CO[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317900 1223124148 /nfs/dbraw/zinc/12/41/48/1223124148.db2.gz ZQUMTPIVARFPKC-FCGDIQPGSA-N 2 0 374.485 0.508 20 0 FCADRP Cc1cccc(N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339393 1223125003 /nfs/dbraw/zinc/12/50/03/1223125003.db2.gz NDOPAUHRNTYDAN-YRLHULLVSA-N 2 0 370.497 0.801 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncccn2)[C@H](O)OC(C)(C)C)C1 ZINC001159343149 1223125088 /nfs/dbraw/zinc/12/50/88/1223125088.db2.gz OCGRLVODURHONR-NBFUAULTSA-N 2 0 367.494 0.750 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159344046 1223125223 /nfs/dbraw/zinc/12/52/23/1223125223.db2.gz SQRKCXDMQVPHCO-JBJRXJHCSA-N 2 0 367.494 0.750 20 0 FCADRP CCOC(=O)C1C[NH2+]CCC1=Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159453094 1223127334 /nfs/dbraw/zinc/12/73/34/1223127334.db2.gz QFJGZRSLMDOWDL-UHFFFAOYSA-N 2 0 359.430 0.349 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514924 1223129327 /nfs/dbraw/zinc/12/93/27/1223129327.db2.gz LZLNZLCRKSULHN-HNNXBMFYSA-N 2 0 374.493 0.314 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573840 1223129705 /nfs/dbraw/zinc/12/97/05/1223129705.db2.gz JGSWWUMRAZKGSV-HNNXBMFYSA-N 3 0 373.505 0.284 20 0 FCADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159566747 1223130016 /nfs/dbraw/zinc/13/00/16/1223130016.db2.gz SXIMEQWMVWUVGI-UHFFFAOYSA-N 2 0 369.473 0.940 20 0 FCADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)C1 ZINC001159561169 1223130020 /nfs/dbraw/zinc/13/00/20/1223130020.db2.gz XSNLXOWGQDIAJH-QGZVFWFLSA-N 2 0 374.533 0.941 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560032 1223130022 /nfs/dbraw/zinc/13/00/22/1223130022.db2.gz HWIYPJKZGCDPQT-UHFFFAOYSA-N 2 0 361.494 0.911 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]2C1 ZINC001159636471 1223131888 /nfs/dbraw/zinc/13/18/88/1223131888.db2.gz TULFBMXZEMUZJM-HSALFYBXSA-N 2 0 373.497 0.897 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666084 1223133099 /nfs/dbraw/zinc/13/30/99/1223133099.db2.gz OYUNYUHLQVYGHQ-KURKYZTESA-N 2 0 370.457 0.176 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21)C1CC[NH2+]CC1 ZINC001159699317 1223134741 /nfs/dbraw/zinc/13/47/41/1223134741.db2.gz OSGVMMCWSFLEFS-RMRDIRSESA-N 2 0 374.485 0.793 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159887456 1223138998 /nfs/dbraw/zinc/13/89/98/1223138998.db2.gz VVXHRGOJYJEEQN-WBVHZDCISA-N 2 0 368.428 0.851 20 0 FCADRP NC1(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CC[NH2+]CC1 ZINC001160054289 1223143574 /nfs/dbraw/zinc/14/35/74/1223143574.db2.gz YMKVFPBIRKBEFY-UHFFFAOYSA-N 3 0 357.502 0.977 20 0 FCADRP Cc1ccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054322 1223143615 /nfs/dbraw/zinc/14/36/15/1223143615.db2.gz ZMEDMACIVFJGSM-QAPCUYQASA-N 2 0 374.489 0.110 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160077233 1223144129 /nfs/dbraw/zinc/14/41/29/1223144129.db2.gz RVICKYYJPWQILX-YHUYYLMFSA-N 2 0 366.437 0.814 20 0 FCADRP O=C(N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160137213 1223146680 /nfs/dbraw/zinc/14/66/80/1223146680.db2.gz BZAKYNOMHLJZAU-YPOJHYBQSA-N 2 0 371.485 0.133 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139410 1223146702 /nfs/dbraw/zinc/14/67/02/1223146702.db2.gz ZPEZWVBDGJJANS-MKSNKDDYSA-N 2 0 360.458 0.560 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160177892 1223148440 /nfs/dbraw/zinc/14/84/40/1223148440.db2.gz AILOZPZEABZRKB-AWEZNQCLSA-N 2 0 369.425 0.342 20 0 FCADRP C[NH+]1CCN(c2nccc(-n3nc(-c4ccncc4)cc3C[NH3+])n2)CC1 ZINC001160339247 1223155656 /nfs/dbraw/zinc/15/56/56/1223155656.db2.gz DRSIMCODPACORV-UHFFFAOYSA-N 2 0 350.430 0.935 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422497 1223158867 /nfs/dbraw/zinc/15/88/67/1223158867.db2.gz HACXNTPTRZZKGT-IQZDNPOKSA-N 2 0 358.486 0.863 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423167 1223159187 /nfs/dbraw/zinc/15/91/87/1223159187.db2.gz KQLQSLNTENZJER-WZGPROSRSA-N 2 0 357.502 0.702 20 0 FCADRP O=C(N1CCN(CCOc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160460679 1223160444 /nfs/dbraw/zinc/16/04/44/1223160444.db2.gz CERCYMPLODWYRZ-YLJYHZDGSA-N 2 0 358.486 0.409 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1)C1CC[NH2+]CC1 ZINC001160629422 1223166564 /nfs/dbraw/zinc/16/65/64/1223166564.db2.gz PBUIBADRLNURGY-GOSISDBHSA-N 2 0 372.448 0.677 20 0 FCADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160787490 1223172269 /nfs/dbraw/zinc/17/22/69/1223172269.db2.gz JXYZYMPNPBGJCU-XJKSGUPXSA-N 2 0 365.478 0.894 20 0 FCADRP O=C(c1cnc2n1CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160785360 1223172622 /nfs/dbraw/zinc/17/26/22/1223172622.db2.gz NXNNUGVVYDGKFP-UZLBHIALSA-N 2 0 351.454 0.642 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)C[C@H]1C2 ZINC001160791962 1223173009 /nfs/dbraw/zinc/17/30/09/1223173009.db2.gz JMICOHPDIAABHH-XBSMTQAJSA-N 2 0 367.490 0.374 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C[NH3+])c3ccccc3)C[C@H]1C2 ZINC001160795009 1223173273 /nfs/dbraw/zinc/17/32/73/1223173273.db2.gz SXFBTWLWXFWRCX-XDCWJTEKSA-N 2 0 357.454 0.586 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160810794 1223175023 /nfs/dbraw/zinc/17/50/23/1223175023.db2.gz GEAYNDVWZTZHRB-FUHIMQAGSA-N 2 0 357.454 0.702 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3cccc4c3C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160819745 1223175738 /nfs/dbraw/zinc/17/57/38/1223175738.db2.gz UUKZQTCROKGZRH-FOIQADDNSA-N 2 0 357.454 0.947 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001160839991 1223176571 /nfs/dbraw/zinc/17/65/71/1223176571.db2.gz STSGCLFPJIFEOZ-YVWKXTFCSA-N 2 0 358.486 0.501 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001160839988 1223176590 /nfs/dbraw/zinc/17/65/90/1223176590.db2.gz STSGCLFPJIFEOZ-POAQFYNOSA-N 2 0 358.486 0.501 20 0 FCADRP NC(=O)[C@@H]1CCCN1c1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)ncn1 ZINC001160952314 1223181557 /nfs/dbraw/zinc/18/15/57/1223181557.db2.gz UCJQCMQQJWUKMS-HNNXBMFYSA-N 2 0 351.414 0.771 20 0 FCADRP O=C(N(c1ncnc2ccccc21)C1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001161089922 1223185493 /nfs/dbraw/zinc/18/54/93/1223185493.db2.gz JCEBAVYBRBKLDB-VLIAUNLRSA-N 2 0 366.469 0.666 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196352 1223188401 /nfs/dbraw/zinc/18/84/01/1223188401.db2.gz DLJBKQKOLJZETI-ROUUACIJSA-N 2 0 370.513 0.485 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196382 1223188642 /nfs/dbraw/zinc/18/86/42/1223188642.db2.gz FQDOKJUKINQRHE-IBGZPJMESA-N 2 0 366.550 0.927 20 0 FCADRP O=C([C@@H]1CCCC[NH2+]C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197110 1223189117 /nfs/dbraw/zinc/18/91/17/1223189117.db2.gz ZVLLHIRSHTZVHP-LJQANCHMSA-N 2 0 366.550 0.927 20 0 FCADRP O=C([C@H]1C[C@@H]2CC[C@H]1[NH2+]2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196799 1223189288 /nfs/dbraw/zinc/18/92/88/1223189288.db2.gz RVWXQAARFCCIFI-GBESFXJTSA-N 2 0 364.534 0.677 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196839 1223189342 /nfs/dbraw/zinc/18/93/42/1223189342.db2.gz SSZAZPADSIEQHV-ROUUACIJSA-N 2 0 370.513 0.627 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[C@](F)(C[NH3+])C3)cc(=O)oc2c1 ZINC001161247203 1223192022 /nfs/dbraw/zinc/19/20/22/1223192022.db2.gz ZHPGNROWWZYXEK-KSSFIOAISA-N 2 0 363.389 0.571 20 0 FCADRP O=C(c1cnc2n1CC[NH2+]CC2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161279238 1223193587 /nfs/dbraw/zinc/19/35/87/1223193587.db2.gz BZVOQEZUKOTASE-INIZCTEOSA-N 2 0 354.458 0.818 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313263 1223195397 /nfs/dbraw/zinc/19/53/97/1223195397.db2.gz HSUVDRGMWYNXDH-OAHLLOKOSA-N 2 0 363.437 0.860 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321837 1223195632 /nfs/dbraw/zinc/19/56/32/1223195632.db2.gz QRJOPLXHPAEWIW-ZOBUZTSGSA-N 2 0 368.522 0.754 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376592 1223197227 /nfs/dbraw/zinc/19/72/27/1223197227.db2.gz BLWUBYGSDZDWCS-WBVHZDCISA-N 2 0 356.474 0.457 20 0 FCADRP Cc1ccc(CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395558 1223197752 /nfs/dbraw/zinc/19/77/52/1223197752.db2.gz FWBDILAOQSBXDP-GUDVDZBRSA-N 2 0 372.513 0.924 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC001161449144 1223199804 /nfs/dbraw/zinc/19/98/04/1223199804.db2.gz KBIFJYFRPKWIKL-IRXDYDNUSA-N 3 0 368.522 0.389 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(F)ccc31)CC2 ZINC001161478784 1223200672 /nfs/dbraw/zinc/20/06/72/1223200672.db2.gz NZSXFFOXPQOZHT-MDZRGWNJSA-N 2 0 361.417 0.766 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](Oc3ccccc3)C[NH2+]1)CC2 ZINC001161476222 1223200760 /nfs/dbraw/zinc/20/07/60/1223200760.db2.gz BTYIQBZTMAQUKZ-MIALQEHNSA-N 2 0 373.453 0.550 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001161478510 1223200766 /nfs/dbraw/zinc/20/07/66/1223200766.db2.gz ILHNGDUKVQMDKY-FXAWDEMLSA-N 2 0 372.469 0.463 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1ccc(C)cc1C)CC2 ZINC001161479964 1223200906 /nfs/dbraw/zinc/20/09/06/1223200906.db2.gz RGEJMXDXBGUWED-SQGPQFPESA-N 2 0 359.470 0.927 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CO[C@@]3(C1)CCC[NH2+]CC3)CC2 ZINC001161477460 1223201074 /nfs/dbraw/zinc/20/10/74/1223201074.db2.gz IUZDHKNKGMNOOY-LTDCPUDJSA-N 2 0 365.474 0.289 20 0 FCADRP COc1ccc(CC2(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)CC[NH2+]CC2)cc1 ZINC001161511362 1223202500 /nfs/dbraw/zinc/20/25/00/1223202500.db2.gz YYJNTQFPAHSIHW-QGZVFWFLSA-N 2 0 359.470 0.794 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2ccc3ccc(N4CC[NH2+]CC4)n3c2)CC12COC2 ZINC001161506880 1223202687 /nfs/dbraw/zinc/20/26/87/1223202687.db2.gz PPAPCPBQYHGAOZ-INIZCTEOSA-N 2 0 355.442 0.149 20 0 FCADRP [NH3+][C@@H]1CCN([C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c2cc3ccccc3o2)C1 ZINC001161511424 1223203225 /nfs/dbraw/zinc/20/32/25/1223203225.db2.gz ZJFPJEOPLFGOFV-OLMNPRSZSA-N 2 0 370.453 0.693 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584490 1223204653 /nfs/dbraw/zinc/20/46/53/1223204653.db2.gz BSYUJXBIBBAOGC-AEFFLSMTSA-N 2 0 357.454 0.801 20 0 FCADRP CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283018 1223212661 /nfs/dbraw/zinc/21/26/61/1223212661.db2.gz FXFPEHLIBRNFRR-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(C[C@H](C[NH3+])C(=O)OC)cc1 ZINC001162537032 1223218070 /nfs/dbraw/zinc/21/80/70/1223218070.db2.gz MQCFQEKZUCOEJI-CYBMUJFWSA-N 2 0 360.414 0.798 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001162729810 1223218895 /nfs/dbraw/zinc/21/88/95/1223218895.db2.gz IKDIHWXXQIECCP-OAHLLOKOSA-N 2 0 364.494 0.947 20 0 FCADRP c1cc(OCC[NH+]2CCCC2)nnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973983 1223222818 /nfs/dbraw/zinc/22/28/18/1223222818.db2.gz RROWGIBBEGVWDQ-UHFFFAOYSA-N 2 0 358.450 0.648 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164578808 1223240069 /nfs/dbraw/zinc/24/00/69/1223240069.db2.gz SQPVBNKJPHKXRI-HUUCEWRRSA-N 2 0 363.510 0.970 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164575788 1223240191 /nfs/dbraw/zinc/24/01/91/1223240191.db2.gz HLAHDXZXJNWPMN-MGPQQGTHSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001164576065 1223240248 /nfs/dbraw/zinc/24/02/48/1223240248.db2.gz MJNLTRJCERSAQG-ZIAGYGMSSA-N 2 0 363.462 0.829 20 0 FCADRP c1c(CN2CC[NH2+]CC2)c2cccnc2n1-c1ncnc2c1CC[NH2+]CC2 ZINC001165079392 1223241888 /nfs/dbraw/zinc/24/18/88/1223241888.db2.gz RCKATJZWALTCHA-UHFFFAOYSA-N 2 0 363.469 0.909 20 0 FCADRP c1cn(Cc2noc3c2CN(c2ncnc4c2CC[NH2+]CC4)CC3)cn1 ZINC001165548654 1223248510 /nfs/dbraw/zinc/24/85/10/1223248510.db2.gz ZGSSMOMLOZVYTL-UHFFFAOYSA-N 2 0 351.414 0.960 20 0 FCADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001165727883 1223255089 /nfs/dbraw/zinc/25/50/89/1223255089.db2.gz JSOSVYOHCRFBPP-IJEWVQPXSA-N 2 0 366.506 0.249 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2ncc3c(n2)CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937617 1223262265 /nfs/dbraw/zinc/26/22/65/1223262265.db2.gz LPWCBLMJSCFZJC-GFCCVEGCSA-N 2 0 367.457 0.578 20 0 FCADRP C[NH+](C)CC1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001205167787 1223314135 /nfs/dbraw/zinc/31/41/35/1223314135.db2.gz VERZVOJOSAEESA-QZTJIDSGSA-N 2 0 361.486 0.394 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001205167829 1223314170 /nfs/dbraw/zinc/31/41/70/1223314170.db2.gz WVWJEBVJBUOLRS-QXAKKESOSA-N 2 0 363.502 0.783 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439876 1223323539 /nfs/dbraw/zinc/32/35/39/1223323539.db2.gz OUMVGKFVBPVZOM-JKSUJKDBSA-N 2 0 359.405 0.422 20 0 FCADRP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n(C)n1 ZINC001205897138 1223341561 /nfs/dbraw/zinc/34/15/61/1223341561.db2.gz OGSNCIAOVPYJMD-UHFFFAOYSA-N 2 0 363.506 0.731 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705675 1223473042 /nfs/dbraw/zinc/47/30/42/1223473042.db2.gz GUNXOBHZHRXPMD-OWCLPIDISA-N 2 0 368.522 0.258 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001208074329 1223513981 /nfs/dbraw/zinc/51/39/81/1223513981.db2.gz WCMNPWKFGQJYKA-FGTMMUONSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441515 1223546170 /nfs/dbraw/zinc/54/61/70/1223546170.db2.gz JDVUFJHHXRDNOO-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496215 1223551270 /nfs/dbraw/zinc/55/12/70/1223551270.db2.gz MLTWKOBGYFGJRV-BHIYHBOVSA-N 2 0 363.502 0.952 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575286 1223558261 /nfs/dbraw/zinc/55/82/61/1223558261.db2.gz MQIVPZOCIWMAHC-KBAYOESNSA-N 2 0 370.538 0.696 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001208596765 1223561355 /nfs/dbraw/zinc/56/13/55/1223561355.db2.gz YRRIXUBZLRNFCP-GBESFXJTSA-N 2 0 365.518 0.914 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604186 1223561848 /nfs/dbraw/zinc/56/18/48/1223561848.db2.gz CVXPDDSUNCCBBM-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738570 1223574225 /nfs/dbraw/zinc/57/42/25/1223574225.db2.gz FKIVNFCQWMJLAD-FGTMMUONSA-N 2 0 371.522 0.587 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(CC1COC(C)(C)OC1)CC2 ZINC001209192769 1223602451 /nfs/dbraw/zinc/60/24/51/1223602451.db2.gz BKJOTZBGDLZNCM-UHFFFAOYSA-N 2 0 366.462 0.723 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4cccnc34)C2)OCC1=O ZINC001276628834 1223605643 /nfs/dbraw/zinc/60/56/43/1223605643.db2.gz CDYXVIDJXICMNR-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP COC(CN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276629888 1223607845 /nfs/dbraw/zinc/60/78/45/1223607845.db2.gz BKRBEUIBASQTED-IBGZPJMESA-N 2 0 368.522 0.167 20 0 FCADRP COC(CN1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O)OC ZINC001276629919 1223608334 /nfs/dbraw/zinc/60/83/34/1223608334.db2.gz DOYXTASXMQNKTF-LJQANCHMSA-N 2 0 368.522 0.310 20 0 FCADRP CCCCN1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630452 1223609561 /nfs/dbraw/zinc/60/95/61/1223609561.db2.gz XRKGDKAYBVGWGN-FQEVSTJZSA-N 2 0 366.550 0.975 20 0 FCADRP CC(C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327459 1223611065 /nfs/dbraw/zinc/61/10/65/1223611065.db2.gz JMOGTCPSFJTYGD-GDBMZVCRSA-N 2 0 364.494 0.019 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCC[C@]3(CC(=O)N(CC(F)F)C3=O)C2)CC1 ZINC001276636248 1223613330 /nfs/dbraw/zinc/61/33/30/1223613330.db2.gz LSMGOALQUGBYIZ-SFHVURJKSA-N 2 0 372.460 0.730 20 0 FCADRP CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276636453 1223613478 /nfs/dbraw/zinc/61/34/78/1223613478.db2.gz NPLDBLAHHDBERB-FQEVSTJZSA-N 2 0 366.550 0.831 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@]3(CCN(Cc4cnoc4)C3=O)C2)CC1 ZINC001276636597 1223613625 /nfs/dbraw/zinc/61/36/25/1223613625.db2.gz PGSHFVWEUWVSMP-IBGZPJMESA-N 2 0 361.490 0.737 20 0 FCADRP CCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829928 1223651673 /nfs/dbraw/zinc/65/16/73/1223651673.db2.gz NZGSBHLOIITPMM-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001210724532 1223704753 /nfs/dbraw/zinc/70/47/53/1223704753.db2.gz YQKAQJRXUKJETH-HLLBOEOZSA-N 2 0 361.490 0.706 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192609 1223765179 /nfs/dbraw/zinc/76/51/79/1223765179.db2.gz TUIUMBBURSJANK-RVKOJVRFSA-N 2 0 367.490 0.092 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191730 1223765435 /nfs/dbraw/zinc/76/54/35/1223765435.db2.gz FMJCRTLYDUVPPX-CBYDULDESA-N 2 0 367.490 0.092 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368455 1223790945 /nfs/dbraw/zinc/79/09/45/1223790945.db2.gz ALRXEJUIWPYKAF-KZNAEPCWSA-N 2 0 371.522 0.177 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378432 1223792559 /nfs/dbraw/zinc/79/25/59/1223792559.db2.gz QIXDTHPQYDRMBW-CGTJXYLNSA-N 2 0 365.474 0.193 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455843 1223801016 /nfs/dbraw/zinc/80/10/16/1223801016.db2.gz QEBAWTKZWRFWFP-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455844 1223801097 /nfs/dbraw/zinc/80/10/97/1223801097.db2.gz QEBAWTKZWRFWFP-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213598246 1223820635 /nfs/dbraw/zinc/82/06/35/1223820635.db2.gz DZFWFRZAJVJBQJ-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213678045 1223831667 /nfs/dbraw/zinc/83/16/67/1223831667.db2.gz APKCATPBECEMAC-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)CC[N@@H+]1C ZINC000978152115 1248707707 /nfs/dbraw/zinc/70/77/07/1248707707.db2.gz DIVTUKXPIVKSKS-LTFXXXRZSA-N 2 0 359.518 0.987 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213757341 1223844670 /nfs/dbraw/zinc/84/46/70/1223844670.db2.gz DRWHTALLCMFOIF-GVDBMIGSSA-N 2 0 368.522 0.545 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@H](OC)C1)C1CCC1 ZINC001213802191 1223852196 /nfs/dbraw/zinc/85/21/96/1223852196.db2.gz NNKOKVAVOOQJMY-FGTMMUONSA-N 2 0 364.490 0.983 20 0 FCADRP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213860271 1223863229 /nfs/dbraw/zinc/86/32/29/1223863229.db2.gz YHKYRPQQHIAVHP-GVDBMIGSSA-N 2 0 364.494 0.216 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929744 1223874991 /nfs/dbraw/zinc/87/49/91/1223874991.db2.gz JJAHNFJHKXGYBD-GUDVDZBRSA-N 2 0 363.502 0.746 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930003 1223875165 /nfs/dbraw/zinc/87/51/65/1223875165.db2.gz VNKKJBDLJCTJQO-KZNAEPCWSA-N 2 0 371.522 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214648861 1223929033 /nfs/dbraw/zinc/92/90/33/1223929033.db2.gz ZLOALAIRBGEVBP-KBAYOESNSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214646784 1223929145 /nfs/dbraw/zinc/92/91/45/1223929145.db2.gz YAXBBPATRLNOKC-FHLIZLRMSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214646714 1223929256 /nfs/dbraw/zinc/92/92/56/1223929256.db2.gz XHPYHSKZWPWGSH-FHLIZLRMSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001214850309 1223948087 /nfs/dbraw/zinc/94/80/87/1223948087.db2.gz SBYQLTJWVAGOOC-KBAYOESNSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214856163 1223948572 /nfs/dbraw/zinc/94/85/72/1223948572.db2.gz XOWJFUCWNAJKJI-MZMPZRCHSA-N 2 0 362.474 0.673 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1)[NH+](C)C ZINC001214904764 1223954478 /nfs/dbraw/zinc/95/44/78/1223954478.db2.gz IMPZMNIODCRESX-KYJSFNMBSA-N 2 0 364.490 0.919 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1)[NH+](C)C ZINC001214954757 1223959379 /nfs/dbraw/zinc/95/93/79/1223959379.db2.gz FQMCLQGROZCIAH-BRWVUGGUSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215153173 1223978539 /nfs/dbraw/zinc/97/85/39/1223978539.db2.gz GGIJSXXHFWXYOM-FHLIZLRMSA-N 2 0 368.441 0.642 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414320 1223998284 /nfs/dbraw/zinc/99/82/84/1223998284.db2.gz TUSAKQKDTYEORQ-OWCLPIDISA-N 2 0 368.522 0.306 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215423241 1223999133 /nfs/dbraw/zinc/99/91/33/1223999133.db2.gz CTYXAZBMSKZBME-VNHYZAJKSA-N 2 0 367.494 0.141 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1)[NH+](C)C ZINC001215476548 1224001190 /nfs/dbraw/zinc/00/11/90/1224001190.db2.gz MJRVAZCYXUSBOW-CKEIUWERSA-N 2 0 362.478 0.438 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518998 1224004009 /nfs/dbraw/zinc/00/40/09/1224004009.db2.gz UCHXAMDACILFLW-ZACQAIPSSA-N 2 0 370.538 0.696 20 0 FCADRP Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276724558 1224005883 /nfs/dbraw/zinc/00/58/83/1224005883.db2.gz YBHYPYVPYBSGEX-IBGZPJMESA-N 2 0 360.458 0.998 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215557996 1224006022 /nfs/dbraw/zinc/00/60/22/1224006022.db2.gz IWNMCJOWBMOVPK-KBAYOESNSA-N 2 0 358.486 0.486 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001215558697 1224006531 /nfs/dbraw/zinc/00/65/31/1224006531.db2.gz YSTVIQGZAXWIEM-BPQIPLTHSA-N 2 0 360.502 0.861 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563998 1224006641 /nfs/dbraw/zinc/00/66/41/1224006641.db2.gz WFJWZSVDRVGPKO-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1)[NH+](C)C ZINC001215574889 1224007032 /nfs/dbraw/zinc/00/70/32/1224007032.db2.gz FQMCLQGROZCIAH-ZACQAIPSSA-N 2 0 370.538 0.694 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861569 1224021274 /nfs/dbraw/zinc/02/12/74/1224021274.db2.gz KQSYGONGLARKAV-GDBMZVCRSA-N 2 0 364.494 0.019 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053421 1224031289 /nfs/dbraw/zinc/03/12/89/1224031289.db2.gz MIPRNTASNTVLRP-HUUCEWRRSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216053399 1224031463 /nfs/dbraw/zinc/03/14/63/1224031463.db2.gz LINFIJIXGOEKIT-HUUCEWRRSA-N 2 0 363.462 0.782 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053110 1224031557 /nfs/dbraw/zinc/03/15/57/1224031557.db2.gz BTTMOPBHWPCXCE-SJLPKXTDSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216092053 1224034145 /nfs/dbraw/zinc/03/41/45/1224034145.db2.gz ZPMIATIOTQENNU-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490659 1224052924 /nfs/dbraw/zinc/05/29/24/1224052924.db2.gz JBYJKNGPMUUIEM-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216495197 1224053396 /nfs/dbraw/zinc/05/33/96/1224053396.db2.gz ZOSYEURXHZZJJN-UKRRQHHQSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216752082 1224068296 /nfs/dbraw/zinc/06/82/96/1224068296.db2.gz GIVCKBMMKCIOJP-JKIFEVAISA-N 2 0 360.458 0.719 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216753992 1224068310 /nfs/dbraw/zinc/06/83/10/1224068310.db2.gz CQWMKMHRPGWGGJ-KBAYOESNSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216757750 1224069585 /nfs/dbraw/zinc/06/95/85/1224069585.db2.gz KTMUVTHWVPZTRQ-BFYDXBDKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001217011107 1224084541 /nfs/dbraw/zinc/08/45/41/1224084541.db2.gz YNSHCUHSZRWFBF-IIAWOOMASA-N 2 0 359.430 0.618 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000987515228 1249069403 /nfs/dbraw/zinc/06/94/03/1249069403.db2.gz BGNKNKONUPDJER-PMPSAXMXSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CC1(O)CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000823683829 1245320509 /nfs/dbraw/zinc/32/05/09/1245320509.db2.gz CWNYDDDCLMTJRR-UHFFFAOYSA-N 2 0 374.529 0.963 20 0 FCADRP CC(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CC[NH+](C)CC1 ZINC000849057771 1245390887 /nfs/dbraw/zinc/39/08/87/1245390887.db2.gz ZFMVJALFNKBNQE-QGZVFWFLSA-N 2 0 374.537 0.395 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567024 1245455492 /nfs/dbraw/zinc/45/54/92/1245455492.db2.gz UTIYBZIVACTNGE-MHORFTMASA-N 2 0 365.522 0.223 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505202 1245502021 /nfs/dbraw/zinc/50/20/21/1245502021.db2.gz RBSPPEFXFDDPOU-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517805 1245504191 /nfs/dbraw/zinc/50/41/91/1245504191.db2.gz XQDPOXSCSGOJOT-KFKAGJAMSA-N 2 0 370.497 0.918 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000923561341 1245728684 /nfs/dbraw/zinc/72/86/84/1245728684.db2.gz ABYUYAKBZPVFFH-WOJBJXKFSA-N 2 0 374.529 0.810 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000940755734 1246378029 /nfs/dbraw/zinc/37/80/29/1246378029.db2.gz RKUPTZUHUDZFAN-RBSFLKMASA-N 2 0 359.474 0.819 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548519 1247122827 /nfs/dbraw/zinc/12/28/27/1247122827.db2.gz YNQAQGJATZCFQT-IAGOWNOFSA-N 2 0 366.506 0.012 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943068849 1247254947 /nfs/dbraw/zinc/25/49/47/1247254947.db2.gz JPQXTAYPGFXLET-DJIMGWMZSA-N 2 0 371.441 0.242 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@@H+]1C ZINC000944619498 1247585194 /nfs/dbraw/zinc/58/51/94/1247585194.db2.gz XTOBLDSPBOKKSO-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)CC2)CC[N@@H+]1C ZINC000944948016 1247687457 /nfs/dbraw/zinc/68/74/57/1247687457.db2.gz RWEKPEBDTDLWAJ-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595009 1247908912 /nfs/dbraw/zinc/90/89/12/1247908912.db2.gz DSSNJAQBBKWKBB-HSFUPAIVSA-N 2 0 364.534 0.974 20 0 FCADRP CO[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001327841367 1265440093 /nfs/dbraw/zinc/44/00/93/1265440093.db2.gz KYIWXJLIXIJQPO-OAHLLOKOSA-N 2 0 362.474 0.247 20 0 FCADRP CCn1cc(CN[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2(C)C)nn1 ZINC000995962071 1251095743 /nfs/dbraw/zinc/09/57/43/1251095743.db2.gz YQQIOAYUIYNRRQ-BMFZPTHFSA-N 2 0 364.494 0.344 20 0 FCADRP CCn1cc(CN[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2(C)C)nn1 ZINC000995962073 1251096237 /nfs/dbraw/zinc/09/62/37/1251096237.db2.gz YQQIOAYUIYNRRQ-FVQBIDKESA-N 2 0 364.494 0.344 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000996315572 1251312366 /nfs/dbraw/zinc/31/23/66/1251312366.db2.gz TZRDGYLPWCUIQV-KSZLIROESA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000997006273 1251467329 /nfs/dbraw/zinc/46/73/29/1251467329.db2.gz ZPDNMADLAHZWJQ-MTSZKFMLSA-N 2 0 360.502 0.671 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000998467116 1251889672 /nfs/dbraw/zinc/88/96/72/1251889672.db2.gz SJSWIAIAXCDGGE-YVSFHVDLSA-N 2 0 359.474 0.781 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000998792839 1251967495 /nfs/dbraw/zinc/96/74/95/1251967495.db2.gz CGAGCPSGFPSQMM-SSHXOBKSSA-N 2 0 364.490 0.445 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000999711446 1252176789 /nfs/dbraw/zinc/17/67/89/1252176789.db2.gz LJIIHKHFZUUOEH-BDXSIMOUSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001002790617 1252674459 /nfs/dbraw/zinc/67/44/59/1252674459.db2.gz NTQZCGBWOLWROO-HZMVEIRTSA-N 2 0 360.502 0.815 20 0 FCADRP Cn1cncc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002828829 1252691209 /nfs/dbraw/zinc/69/12/09/1252691209.db2.gz UQFGNRWXKKAHTO-OIISXLGYSA-N 2 0 359.474 0.697 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001002827341 1252692177 /nfs/dbraw/zinc/69/21/77/1252692177.db2.gz NLXDHNPVEHAYSU-XDNAFOTISA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC001002878040 1252725095 /nfs/dbraw/zinc/72/50/95/1252725095.db2.gz QWKACJJVORNEIK-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760453 1265678283 /nfs/dbraw/zinc/67/82/83/1265678283.db2.gz INEGNRJKBUGBJF-IRXDYDNUSA-N 2 0 355.527 0.278 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC001518788146 1265680419 /nfs/dbraw/zinc/68/04/19/1265680419.db2.gz MBDMUNHCWAQZSR-QGZVFWFLSA-N 2 0 374.533 0.981 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004303375 1253276825 /nfs/dbraw/zinc/27/68/25/1253276825.db2.gz QLRHWEIAVXHHQW-HZMVEIRTSA-N 2 0 360.502 0.815 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001004422204 1253320501 /nfs/dbraw/zinc/32/05/01/1253320501.db2.gz NQWNHLWBINCIFR-SZXPJGKVSA-N 2 0 371.485 0.961 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001005492230 1253565716 /nfs/dbraw/zinc/56/57/16/1253565716.db2.gz LJIIHKHFZUUOEH-TVFCKZIOSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022423987 1253806921 /nfs/dbraw/zinc/80/69/21/1253806921.db2.gz MUTWDSSXGZITIF-YESZJQIVSA-N 2 0 360.502 0.626 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001329508982 1265773086 /nfs/dbraw/zinc/77/30/86/1265773086.db2.gz URMVIKNVRHXUKP-QGZVFWFLSA-N 2 0 360.458 0.404 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@@H+]1C ZINC001031681154 1253886917 /nfs/dbraw/zinc/88/69/17/1253886917.db2.gz GRUUADNGHFUMIC-CZUORRHYSA-N 2 0 356.474 0.857 20 0 FCADRP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001519903514 1265798055 /nfs/dbraw/zinc/79/80/55/1265798055.db2.gz ZJCCKSOKKRTUEB-QAPCUYQASA-N 2 0 367.538 0.563 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647480 1265799032 /nfs/dbraw/zinc/79/90/32/1265799032.db2.gz OSARLSVRFMOPMG-XJKSGUPXSA-N 2 0 372.469 0.798 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001034649845 1253998333 /nfs/dbraw/zinc/99/83/33/1253998333.db2.gz XJODMFAYRCIAHZ-ZQDZILKHSA-N 2 0 364.494 0.356 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001034649738 1253998605 /nfs/dbraw/zinc/99/86/05/1253998605.db2.gz RXBCNWHIUMXQSG-LUKYLMHMSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCN4CCCC4=O)C3)CC2)CC[N@@H+]1C ZINC001035708872 1254056531 /nfs/dbraw/zinc/05/65/31/1254056531.db2.gz LARFGPZHHYWJNH-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001329678463 1265811226 /nfs/dbraw/zinc/81/12/26/1265811226.db2.gz GYTJSRMIYHKBHQ-IWCQGFGOSA-N 2 0 366.506 0.317 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001061651360 1254198811 /nfs/dbraw/zinc/19/88/11/1254198811.db2.gz OAQNGFZHTZEDBJ-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001062240514 1254249732 /nfs/dbraw/zinc/24/97/32/1254249732.db2.gz ZGAZMONDNSGCAB-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013032 1255168492 /nfs/dbraw/zinc/16/84/92/1255168492.db2.gz OACIYEADAFGATO-QZTJIDSGSA-N 2 0 366.465 0.992 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175064 1255288488 /nfs/dbraw/zinc/28/84/88/1255288488.db2.gz VSXABJUPTAJLRY-KFKAGJAMSA-N 2 0 359.470 0.372 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222985 1255335105 /nfs/dbraw/zinc/33/51/05/1255335105.db2.gz ZUASXZCSNDZDPI-QXAKKESOSA-N 2 0 361.486 0.950 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078227445 1255342140 /nfs/dbraw/zinc/34/21/40/1255342140.db2.gz ZPOIGXSBOPWLTC-RTBURBONSA-N 2 0 371.485 0.499 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001078404235 1255409075 /nfs/dbraw/zinc/40/90/75/1255409075.db2.gz WCMUBDZWYGXYGH-OKZBNKHCSA-N 2 0 363.506 0.858 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079263210 1255493463 /nfs/dbraw/zinc/49/34/63/1255493463.db2.gz NWCHIMMISJNHQJ-ZWKOTPCHSA-N 2 0 365.518 0.650 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001081125880 1256187861 /nfs/dbraw/zinc/18/78/61/1256187861.db2.gz VGOFQGGLFYWINI-OKZBNKHCSA-N 2 0 370.497 0.943 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081127139 1256189640 /nfs/dbraw/zinc/18/96/40/1256189640.db2.gz YEBJWUWKXIRDPS-FGTMMUONSA-N 2 0 358.486 0.930 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081229498 1256212422 /nfs/dbraw/zinc/21/24/22/1256212422.db2.gz PZGGBBWJGXAFOH-RCCFBDPRSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001081227211 1256212476 /nfs/dbraw/zinc/21/24/76/1256212476.db2.gz WKNKVBZXEZUOFA-GBESFXJTSA-N 2 0 370.497 0.945 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081228845 1256212699 /nfs/dbraw/zinc/21/26/99/1256212699.db2.gz CVDHWBLLMSCWCG-YTQUADARSA-N 2 0 361.486 0.531 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001081227212 1256213407 /nfs/dbraw/zinc/21/34/07/1256213407.db2.gz WKNKVBZXEZUOFA-IPMKNSEASA-N 2 0 370.497 0.945 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095808 1256532473 /nfs/dbraw/zinc/53/24/73/1256532473.db2.gz JMZFQYRHTKNRKA-QZTJIDSGSA-N 2 0 363.506 0.657 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326482 1256666918 /nfs/dbraw/zinc/66/69/18/1256666918.db2.gz FNUHQHBERWFYAX-IPMKNSEASA-N 2 0 361.486 0.836 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328597 1256670830 /nfs/dbraw/zinc/67/08/30/1256670830.db2.gz BIVIPEPDBOGKHO-KZNAEPCWSA-N 2 0 365.518 0.839 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082561922 1256859473 /nfs/dbraw/zinc/85/94/73/1256859473.db2.gz ZPYZEODROOZBQE-HLLBOEOZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082592789 1256905882 /nfs/dbraw/zinc/90/58/82/1256905882.db2.gz XFYPYAYYHVGOTQ-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)ccc2c[nH+]cn21 ZINC001082609771 1256920493 /nfs/dbraw/zinc/92/04/93/1256920493.db2.gz FFCNNROBONEANR-CSMYWGQOSA-N 2 0 355.442 0.924 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082617213 1256927690 /nfs/dbraw/zinc/92/76/90/1256927690.db2.gz BMQFAWWWARGFHM-NVXWUHKLSA-N 2 0 358.486 0.950 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082617136 1256927715 /nfs/dbraw/zinc/92/77/15/1256927715.db2.gz WECSCYWIMAHVRA-BZUAXINKSA-N 2 0 358.490 0.830 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082653357 1256956827 /nfs/dbraw/zinc/95/68/27/1256956827.db2.gz HALNTWCKGDGUHU-UYJRAODCSA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082653478 1256956931 /nfs/dbraw/zinc/95/69/31/1256956931.db2.gz MPTYNPWVAOWGEL-CQNSDRIQSA-N 2 0 356.470 0.881 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)ncn1 ZINC001082653429 1256958533 /nfs/dbraw/zinc/95/85/33/1256958533.db2.gz KJUOGPABPCCBIS-JZMXBONXSA-N 2 0 371.485 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082663154 1256966946 /nfs/dbraw/zinc/96/69/46/1256966946.db2.gz AUNKSYUSUKAKMH-SZVBFZGTSA-N 2 0 362.518 0.920 20 0 FCADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)on1 ZINC001082828915 1257085900 /nfs/dbraw/zinc/08/59/00/1257085900.db2.gz QZLGZNNWGAUDTG-CZUORRHYSA-N 2 0 366.462 0.731 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC001082828806 1257086594 /nfs/dbraw/zinc/08/65/94/1257086594.db2.gz JONCOYISBYHHPZ-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082828992 1257087573 /nfs/dbraw/zinc/08/75/73/1257087573.db2.gz XBGTXFIGZUSVSM-CRAIPNDOSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082851785 1257104545 /nfs/dbraw/zinc/10/45/45/1257104545.db2.gz CARSVKHTRJPKNL-CRAIPNDOSA-N 2 0 360.506 0.837 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)ncn1 ZINC001082923580 1257147845 /nfs/dbraw/zinc/14/78/45/1257147845.db2.gz RAMBHRWVXKQMKE-RVKKMQEKSA-N 2 0 361.490 0.690 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+]1CCCC1 ZINC001082944030 1257160653 /nfs/dbraw/zinc/16/06/53/1257160653.db2.gz AFWYJDHJIIJJLR-BRWVUGGUSA-N 2 0 365.522 0.569 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O)cn1 ZINC001083851167 1257609073 /nfs/dbraw/zinc/60/90/73/1257609073.db2.gz QHGZQTMMLAMNLV-MSOLQXFVSA-N 2 0 357.458 0.420 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083953434 1257741858 /nfs/dbraw/zinc/74/18/58/1257741858.db2.gz SMRPFCGWCKDLOB-UHOSZYNNSA-N 2 0 360.502 0.756 20 0 FCADRP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083953585 1257741965 /nfs/dbraw/zinc/74/19/65/1257741965.db2.gz XXGZVZBIRLPUOE-QRVBRYPASA-N 2 0 361.486 0.836 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC001521617771 1266150393 /nfs/dbraw/zinc/15/03/93/1266150393.db2.gz NPLJUYTVKGSVQL-FUHWJXTLSA-N 2 0 367.538 0.565 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084347587 1258040405 /nfs/dbraw/zinc/04/04/05/1258040405.db2.gz WXNJHSMNTHHKGV-KZNAEPCWSA-N 2 0 360.502 0.483 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084357313 1258045941 /nfs/dbraw/zinc/04/59/41/1258045941.db2.gz UIPKUQMTFOCIGL-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084354654 1258047549 /nfs/dbraw/zinc/04/75/49/1258047549.db2.gz PMSMCMNERATXFH-BNEJOLLZSA-N 2 0 360.506 0.768 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409718 1258088799 /nfs/dbraw/zinc/08/87/99/1258088799.db2.gz FOBUKQGBCBJCPA-BPQIPLTHSA-N 2 0 361.490 0.261 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484252 1258128778 /nfs/dbraw/zinc/12/87/78/1258128778.db2.gz LNRNRLDSSHZDHX-BRWVUGGUSA-N 2 0 370.501 0.927 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001084751959 1258289764 /nfs/dbraw/zinc/28/97/64/1258289764.db2.gz LKQITNPHBALYLD-QZTJIDSGSA-N 2 0 360.506 0.931 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775762 1258317170 /nfs/dbraw/zinc/31/71/70/1258317170.db2.gz TVHAQDSJQOWRGV-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778280 1258320481 /nfs/dbraw/zinc/32/04/81/1258320481.db2.gz OJONMVPBTMFLDW-OWCLPIDISA-N 2 0 356.474 0.394 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1)C1CC1 ZINC001084957930 1258469686 /nfs/dbraw/zinc/46/96/86/1258469686.db2.gz FCRBJQCDBMEQKR-HHXXYDBFSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21)C1CC1 ZINC001085022345 1258529201 /nfs/dbraw/zinc/52/92/01/1258529201.db2.gz XNLZDJFXLSUHMF-QAPCUYQASA-N 2 0 362.518 0.872 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085201069 1258630344 /nfs/dbraw/zinc/63/03/44/1258630344.db2.gz NQIFTBIJPZLEQW-BRWVUGGUSA-N 2 0 363.506 0.370 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086734781 1258632940 /nfs/dbraw/zinc/63/29/40/1258632940.db2.gz SADJTHKQJHYSGD-BBWFWOEESA-N 2 0 366.506 0.204 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086734782 1258633297 /nfs/dbraw/zinc/63/32/97/1258633297.db2.gz SADJTHKQJHYSGD-GVDBMIGSSA-N 2 0 366.506 0.204 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170056 1258690843 /nfs/dbraw/zinc/69/08/43/1258690843.db2.gz CPDJQZCDXKWBTF-BBWFWOEESA-N 2 0 362.518 0.729 20 0 FCADRP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)n1 ZINC001088171773 1258691361 /nfs/dbraw/zinc/69/13/61/1258691361.db2.gz GIJPKAAYVLGMOB-CVEARBPZSA-N 2 0 371.485 0.861 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721266 1258817324 /nfs/dbraw/zinc/81/73/24/1258817324.db2.gz KCBHMFHRCKCKFV-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP [NH3+]C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427626 1266214759 /nfs/dbraw/zinc/21/47/59/1266214759.db2.gz VFRDFHOMJLUZTB-RTBURBONSA-N 2 0 360.502 0.642 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105652555 1258922415 /nfs/dbraw/zinc/92/24/15/1258922415.db2.gz NGOXUKYRKZNINM-VIPLHTEESA-N 2 0 367.534 0.677 20 0 FCADRP CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CC1)C2 ZINC001105666884 1258922910 /nfs/dbraw/zinc/92/29/10/1258922910.db2.gz KUMHBKWZXIBUJZ-HNBVOPMISA-N 2 0 367.534 0.941 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001106627127 1258930538 /nfs/dbraw/zinc/93/05/38/1258930538.db2.gz UDKOODJYZJHTMW-QLFBSQMISA-N 2 0 362.478 0.439 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663214 1258935994 /nfs/dbraw/zinc/93/59/94/1258935994.db2.gz WUUJQOKDEAINIP-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)C1 ZINC001106666826 1258937203 /nfs/dbraw/zinc/93/72/03/1258937203.db2.gz WYIYIWFRKQREHL-RRFJBIMHSA-N 2 0 363.462 0.639 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)C1 ZINC001106666825 1258937240 /nfs/dbraw/zinc/93/72/40/1258937240.db2.gz WYIYIWFRKQREHL-RBSFLKMASA-N 2 0 363.462 0.639 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106775668 1258960756 /nfs/dbraw/zinc/96/07/56/1258960756.db2.gz XKNINPFGPLSIPB-HZPDHXFCSA-N 2 0 365.526 0.906 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)C(C)C ZINC001106776387 1258961459 /nfs/dbraw/zinc/96/14/59/1258961459.db2.gz KFDNJKREKDEEAT-FMKPAKJESA-N 2 0 369.510 0.232 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106779410 1258961975 /nfs/dbraw/zinc/96/19/75/1258961975.db2.gz NMIKDPMNYQCILP-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839669 1258974178 /nfs/dbraw/zinc/97/41/78/1258974178.db2.gz NFRWICUPCYUCQI-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106884225 1258987155 /nfs/dbraw/zinc/98/71/55/1258987155.db2.gz BEWJMBQCVJCNEE-KZNAEPCWSA-N 2 0 365.518 0.962 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884484 1258987692 /nfs/dbraw/zinc/98/76/92/1258987692.db2.gz GZUCZKLALQMWHI-HUUCEWRRSA-N 2 0 361.490 0.972 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1 ZINC001106903660 1258993189 /nfs/dbraw/zinc/99/31/89/1258993189.db2.gz FIMAVBOHRJCENZ-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898656 1258993656 /nfs/dbraw/zinc/99/36/56/1258993656.db2.gz LSFOONFWWAQCFB-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP COCCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530588 1259109539 /nfs/dbraw/zinc/10/95/39/1259109539.db2.gz AUJNMIWSLBXIQD-VQIMIIECSA-N 2 0 368.522 0.452 20 0 FCADRP Cc1nc[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC001107621641 1259135196 /nfs/dbraw/zinc/13/51/96/1259135196.db2.gz TYKUVSGVVCNJEH-SJLPKXTDSA-N 2 0 357.462 0.950 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12 ZINC001107622901 1259135583 /nfs/dbraw/zinc/13/55/83/1259135583.db2.gz GQIQHCWCZXYXJO-YQVWRLOYSA-N 2 0 364.490 0.721 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632022 1259139878 /nfs/dbraw/zinc/13/98/78/1259139878.db2.gz MJFKROTZCXVCGR-MBOZVWFJSA-N 2 0 362.518 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001107646712 1259142660 /nfs/dbraw/zinc/14/26/60/1259142660.db2.gz ROQONNQRSIRLSX-VQIMIIECSA-N 2 0 365.522 0.713 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001112570778 1259165985 /nfs/dbraw/zinc/16/59/85/1259165985.db2.gz OQMPBOVPBOBECG-IHPCNDPISA-N 2 0 365.518 0.700 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001127643844 1259182880 /nfs/dbraw/zinc/18/28/80/1259182880.db2.gz NRURKNLJLWIHBT-GDBMZVCRSA-N 2 0 364.465 0.796 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1 ZINC001129048784 1259298884 /nfs/dbraw/zinc/29/88/84/1259298884.db2.gz JSXDNASINUFXDC-XHSDSOJGSA-N 2 0 362.478 0.140 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220313 1259347247 /nfs/dbraw/zinc/34/72/47/1259347247.db2.gz VEHSDXFMIBUFGK-OAGGEKHMSA-N 2 0 364.494 0.122 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c2cc3ccccc3o2)C1 ZINC001160656277 1259386170 /nfs/dbraw/zinc/38/61/70/1259386170.db2.gz UUHHVCRWYIGBIF-ATNYBXOESA-N 2 0 358.442 0.427 20 0 FCADRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001168706655 1259390142 /nfs/dbraw/zinc/39/01/42/1259390142.db2.gz JAMSTPIDYMWTPR-UHFFFAOYSA-N 2 0 350.430 0.635 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001180612780 1259396122 /nfs/dbraw/zinc/39/61/22/1259396122.db2.gz HVCBCXWKVPBNGJ-WKILWMFISA-N 2 0 374.489 0.667 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001200537580 1259415768 /nfs/dbraw/zinc/41/57/68/1259415768.db2.gz QYZKQMKVCMLLDR-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCO[C@@H](C[NH2+]CCF)C2)CC1 ZINC001200529696 1259415977 /nfs/dbraw/zinc/41/59/77/1259415977.db2.gz XIFNEEAPCSQTOD-KSZLIROESA-N 2 0 371.497 0.910 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537150 1259416100 /nfs/dbraw/zinc/41/61/00/1259416100.db2.gz MIMTYANMMVVATL-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001200536259 1259416319 /nfs/dbraw/zinc/41/63/19/1259416319.db2.gz CCEZWYQZBSVGHU-HYVNUMGLSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653779 1266258758 /nfs/dbraw/zinc/25/87/58/1266258758.db2.gz UTVUDXOFAQTPLU-OWLYRPNTSA-N 2 0 358.486 0.724 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200546230 1259416748 /nfs/dbraw/zinc/41/67/48/1259416748.db2.gz AHUXGUPLROTMCE-IXDOHACOSA-N 2 0 368.522 0.306 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001200651608 1259419166 /nfs/dbraw/zinc/41/91/66/1259419166.db2.gz CTLRJKFRMFECDE-OKZBNKHCSA-N 2 0 363.506 0.555 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001200644933 1259419266 /nfs/dbraw/zinc/41/92/66/1259419266.db2.gz UBRBDSLLEDBHKM-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)Nc3cnccn3)CC2)CC[N@@H+]1C ZINC001200636590 1259419427 /nfs/dbraw/zinc/41/94/27/1259419427.db2.gz JHQBCHMGLVJVKF-UKRRQHHQSA-N 2 0 360.462 0.336 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1)OC ZINC001212458490 1259515262 /nfs/dbraw/zinc/51/52/62/1259515262.db2.gz HRZJHFDMFAZQGV-BRWVUGGUSA-N 2 0 371.522 0.585 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCO[C@H]4C[NH2+]CC[C@@H]43)cnc12 ZINC001235242502 1259569865 /nfs/dbraw/zinc/56/98/65/1259569865.db2.gz YUDKFTXKESEHEJ-ROUUACIJSA-N 2 0 356.474 0.759 20 0 FCADRP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](CCCC[NH3+])CCC2 ZINC001235497783 1259573419 /nfs/dbraw/zinc/57/34/19/1259573419.db2.gz KQXSDDPASOOSNQ-LPHOPBHVSA-N 2 0 360.506 0.822 20 0 FCADRP CCOC(=O)c1cn2cccc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2n1 ZINC001235871156 1259582560 /nfs/dbraw/zinc/58/25/60/1259582560.db2.gz QGVCZQKJNZEZLI-UHFFFAOYSA-N 2 0 374.489 0.095 20 0 FCADRP CCOC(=O)c1ccc2c(CN3CC[NH2+]CCNCC[NH2+]CC3)c[nH]c2c1 ZINC001235875681 1259583715 /nfs/dbraw/zinc/58/37/15/1259583715.db2.gz SLRYZVQQDZBZFJ-UHFFFAOYSA-N 2 0 373.501 0.929 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c(OC)cncc3OC)C[C@H]1C2 ZINC001236027898 1259587444 /nfs/dbraw/zinc/58/74/44/1259587444.db2.gz PEQMYRBIQOWGQM-IZSNYMMISA-N 2 0 361.442 0.929 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cnc4c(c3)OCCO4)C[C@H]1C2 ZINC001236028872 1259587478 /nfs/dbraw/zinc/58/74/78/1259587478.db2.gz XNOPBQQCCQQZPF-GJRWTSMGSA-N 2 0 359.426 0.683 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c(CO)cnc(C)c3O)C[C@H]1C2 ZINC001236028130 1259587558 /nfs/dbraw/zinc/58/75/58/1259587558.db2.gz DZKUBNJALYVAQE-FERZIJSQSA-N 2 0 361.442 0.418 20 0 FCADRP CC(C)NC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236311909 1259588779 /nfs/dbraw/zinc/58/87/79/1259588779.db2.gz XHFOJCIXURIZCF-UHFFFAOYSA-N 2 0 363.506 0.441 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1OC(F)F ZINC001236310286 1259588894 /nfs/dbraw/zinc/58/88/94/1259588894.db2.gz WRRWQQLUROYJSE-UHFFFAOYSA-N 2 0 374.432 0.912 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccccc1-c1cncnc1 ZINC001236311847 1259589404 /nfs/dbraw/zinc/58/94/04/1259589404.db2.gz WLULAPWNAYXFHM-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP C[NH+]1CCN(c2cccc(C[NH+]3CCC4(CC3)CNC(=O)CO4)c2)CC1 ZINC001236892813 1259593139 /nfs/dbraw/zinc/59/31/39/1259593139.db2.gz IGRYCKBTYQFPHI-UHFFFAOYSA-N 2 0 358.486 0.919 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001237057741 1259595604 /nfs/dbraw/zinc/59/56/04/1259595604.db2.gz DHDQDEHQOXOTCR-QUCCMNQESA-N 2 0 358.486 0.823 20 0 FCADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001335346384 1259617736 /nfs/dbraw/zinc/61/77/36/1259617736.db2.gz WZOXLFAHVMIYNV-QGZVFWFLSA-N 2 0 370.538 0.831 20 0 FCADRP Cc1cc(-c2ncccc2C(=O)N2CC[NH2+]CC2)cnc1N1CC[NH2+]CC1 ZINC001239724762 1259624109 /nfs/dbraw/zinc/62/41/09/1259624109.db2.gz UPVBXYBKAQSGOK-UHFFFAOYSA-N 2 0 366.469 0.907 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335367523 1259627653 /nfs/dbraw/zinc/62/76/53/1259627653.db2.gz NGUZTKLJPLCUCL-YJBOKZPZSA-N 2 0 364.490 0.610 20 0 FCADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241894574 1259631805 /nfs/dbraw/zinc/63/18/05/1259631805.db2.gz BPDLSCXREJUSEV-UHFFFAOYSA-N 2 0 368.489 0.827 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001246035371 1259644914 /nfs/dbraw/zinc/64/49/14/1259644914.db2.gz RGPCDHDKOXQQAW-DLBZAZTESA-N 2 0 356.474 0.103 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)CCOCc1ccccc1 ZINC001246049789 1259645955 /nfs/dbraw/zinc/64/59/55/1259645955.db2.gz BODOXNSBVNFKLQ-GOSISDBHSA-N 3 0 366.506 0.070 20 0 FCADRP O[C@@]1(CN2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)CCC[NH2+]C1 ZINC001246042740 1259646750 /nfs/dbraw/zinc/64/67/50/1259646750.db2.gz HOIGVIHJEKTHSW-IBGZPJMESA-N 3 0 363.506 0.472 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246069578 1259647219 /nfs/dbraw/zinc/64/72/19/1259647219.db2.gz KSJYHSPATGSPKA-CEXWTWQISA-N 3 0 368.472 0.693 20 0 FCADRP Fc1cccc(-c2nnn3c2CO[C@H](C[NH2+][C@@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246154277 1259648031 /nfs/dbraw/zinc/64/80/31/1259648031.db2.gz AZERDFVFEUWPHZ-HZPDHXFCSA-N 2 0 372.448 0.667 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@H]1CN[C@H](C(=O)OC(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246233295 1259651271 /nfs/dbraw/zinc/65/12/71/1259651271.db2.gz ZWUGLDXGDQFLJV-PMPSAXMXSA-N 2 0 369.506 0.970 20 0 FCADRP CCC(CC)[C@@H](NC1C[C@@H]2C=C[C@H](C1)[NH2+]2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246411920 1259652606 /nfs/dbraw/zinc/65/26/06/1259652606.db2.gz RKPXTJGXIGUVMX-MQYMPAJFSA-N 2 0 365.518 0.937 20 0 FCADRP COC(=O)[C@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564940 1259653879 /nfs/dbraw/zinc/65/38/79/1259653879.db2.gz GVUNMFREISFZKF-QBPKDAKJSA-N 2 0 361.442 0.227 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CNCCN3)CC2=O)c(OC)c1 ZINC001246489768 1259655031 /nfs/dbraw/zinc/65/50/31/1259655031.db2.gz ATSYSWKGEHBRMA-HOTGVXAUSA-N 2 0 362.474 0.346 20 0 FCADRP CCOC(=O)CN1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001246519587 1259655284 /nfs/dbraw/zinc/65/52/84/1259655284.db2.gz NMRRQZIIYISTKL-KRWDZBQOSA-N 2 0 368.522 0.724 20 0 FCADRP CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690752 1259658882 /nfs/dbraw/zinc/65/88/82/1259658882.db2.gz WULBKDFDRFATRZ-NQIIRXRSSA-N 2 0 369.513 0.504 20 0 FCADRP Fc1cnc(N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C2CC[NH2+]CC2)nc1 ZINC001246688745 1259659124 /nfs/dbraw/zinc/65/91/24/1259659124.db2.gz NZLXQYWOVBRKBL-RDTXWAMCSA-N 2 0 365.453 0.569 20 0 FCADRP CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690751 1259659478 /nfs/dbraw/zinc/65/94/78/1259659478.db2.gz WULBKDFDRFATRZ-GHTZIAJQSA-N 2 0 369.513 0.504 20 0 FCADRP C[C@@H]1C[C@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246712643 1259666771 /nfs/dbraw/zinc/66/67/71/1259666771.db2.gz XMUNXJWQDFLGMX-NUJGCVRESA-N 2 0 362.522 0.967 20 0 FCADRP c1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1cccnc1)C2 ZINC001246718646 1259667985 /nfs/dbraw/zinc/66/79/85/1259667985.db2.gz JMYZSSQYMHOHGD-SJORKVTESA-N 2 0 368.485 0.883 20 0 FCADRP CC(C)C[C@H]([NH2+]C[C@H](O)Cn1cccn1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335454182 1259668233 /nfs/dbraw/zinc/66/82/33/1259668233.db2.gz WCGDDJCVJKJDTN-ULQDDVLXSA-N 2 0 351.495 0.411 20 0 FCADRP Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)n1 ZINC001246727508 1259671614 /nfs/dbraw/zinc/67/16/14/1259671614.db2.gz HSQLYORLUKBTFO-RLLQIKCJSA-N 2 0 372.513 0.949 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461516 1259672070 /nfs/dbraw/zinc/67/20/70/1259672070.db2.gz WKKCPGDGFOOKFI-BZUAXINKSA-N 2 0 352.479 0.308 20 0 FCADRP c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246737426 1259673232 /nfs/dbraw/zinc/67/32/32/1259673232.db2.gz PYAANVAMQVMTNP-INDMIFKZSA-N 2 0 358.486 0.924 20 0 FCADRP O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246734515 1259673322 /nfs/dbraw/zinc/67/33/22/1259673322.db2.gz OILJEHDYBBKLDN-VDHUWJSZSA-N 2 0 374.485 0.612 20 0 FCADRP c1cncc(CO[C@@H]2C[C@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)c1 ZINC001246735560 1259673523 /nfs/dbraw/zinc/67/35/23/1259673523.db2.gz UPIMBCFDTJZWJY-CEXWTWQISA-N 2 0 357.502 0.451 20 0 FCADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739950 1259674464 /nfs/dbraw/zinc/67/44/64/1259674464.db2.gz SLSBRNOGKKXINO-KRWDZBQOSA-N 3 0 374.533 0.385 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741000 1259675672 /nfs/dbraw/zinc/67/56/72/1259675672.db2.gz WRTPJQKQAUQXBI-IUVQAAGXSA-N 2 0 359.474 0.970 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743856 1259676492 /nfs/dbraw/zinc/67/64/92/1259676492.db2.gz BNGWSUQNVHYMKM-PKOBYXMFSA-N 2 0 355.486 0.600 20 0 FCADRP O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744114 1259677109 /nfs/dbraw/zinc/67/71/09/1259677109.db2.gz JFANLNBYTCTBBP-IAGOWNOFSA-N 2 0 355.486 0.614 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001335478440 1259678212 /nfs/dbraw/zinc/67/82/12/1259678212.db2.gz SICUCWWYKKFGPZ-GOSISDBHSA-N 2 0 351.495 0.467 20 0 FCADRP O=C([C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745362 1259678289 /nfs/dbraw/zinc/67/82/89/1259678289.db2.gz HBXCHCPYGRGWIS-SJORKVTESA-N 2 0 362.518 0.431 20 0 FCADRP CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751857 1259678904 /nfs/dbraw/zinc/67/89/04/1259678904.db2.gz CQTICTBFHIEICS-ZWOKBUDYSA-N 2 0 372.517 0.630 20 0 FCADRP Cn1cc(C(=O)N[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]3CCCO[C@H]23)cn1 ZINC001246750680 1259679376 /nfs/dbraw/zinc/67/93/76/1259679376.db2.gz GVTGUUOVEVFYRT-CYLNWZRHSA-N 2 0 359.474 0.665 20 0 FCADRP CN(C)C(=O)[C@]12C[N@@H+](C3CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246748852 1259680237 /nfs/dbraw/zinc/68/02/37/1259680237.db2.gz POBSIJJBSLXZFO-VQIMIIECSA-N 2 0 358.490 0.588 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752300 1259680691 /nfs/dbraw/zinc/68/06/91/1259680691.db2.gz ZCXZIUDIEKZDQS-ICSRJNTNSA-N 2 0 369.513 0.990 20 0 FCADRP O=C1NC2(C[C@H]1c1cccnc1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246755300 1259681703 /nfs/dbraw/zinc/68/17/03/1259681703.db2.gz IMIIYPBGCMFQIG-SJORKVTESA-N 2 0 355.486 0.614 20 0 FCADRP c1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1ccccn1)C2 ZINC001246763389 1259683581 /nfs/dbraw/zinc/68/35/81/1259683581.db2.gz BWEGRHNYBQFKIJ-SJORKVTESA-N 2 0 368.485 0.883 20 0 FCADRP Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246787642 1259689677 /nfs/dbraw/zinc/68/96/77/1259689677.db2.gz DQFUIWNQPAGOAY-SFHVURJKSA-N 2 0 371.529 0.954 20 0 FCADRP O=C1[C@@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C(=O)N1Cc1ccccc1 ZINC001246846576 1259690211 /nfs/dbraw/zinc/69/02/11/1259690211.db2.gz BKTWTCBDZDHIOW-KZNAEPCWSA-N 2 0 368.481 0.730 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851428 1259690241 /nfs/dbraw/zinc/69/02/41/1259690241.db2.gz GBYXZTUWRXVYGR-BIENJYKASA-N 2 0 374.489 0.416 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CCN(C4(C)CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246814899 1259690351 /nfs/dbraw/zinc/69/03/51/1259690351.db2.gz YSZULYNAQUROLD-ZTOOSOLZSA-N 2 0 364.534 0.818 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3CCN(c4ncccn4)CC3)C[C@H]1C2 ZINC001246857962 1259693559 /nfs/dbraw/zinc/69/35/59/1259693559.db2.gz JYOYNKCSOWJODH-ASKNOMKYSA-N 2 0 371.485 0.776 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859483 1259693891 /nfs/dbraw/zinc/69/38/91/1259693891.db2.gz PEAZRFJVZDIBPP-MSWPAXRKSA-N 2 0 366.458 0.428 20 0 FCADRP COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920234 1259694500 /nfs/dbraw/zinc/69/45/00/1259694500.db2.gz DHOPMUSNGHSISE-OALUTQOASA-N 2 0 372.513 0.830 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)CC1 ZINC001247831237 1259705796 /nfs/dbraw/zinc/70/57/96/1259705796.db2.gz RGDZADUCJQXCPO-HNNXBMFYSA-N 3 0 354.458 0.765 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@H]4COC5(C[NH2+]C5)CN4)n3)c2)CC1 ZINC001247854229 1259706884 /nfs/dbraw/zinc/70/68/84/1259706884.db2.gz FGVBHIHXPMDGJY-MRXNPFEDSA-N 2 0 370.457 0.491 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4C[NH2+]CC5)n3)cc2)CC1 ZINC001247854849 1259707606 /nfs/dbraw/zinc/70/76/06/1259707606.db2.gz DDGIWVIQKZZMQJ-OXQOHEQNSA-N 3 0 368.485 0.939 20 0 FCADRP O[C@@H](CN1CCOCC1)C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001251014271 1259728647 /nfs/dbraw/zinc/72/86/47/1259728647.db2.gz NXSHJIDORVUYDE-GOSISDBHSA-N 2 0 363.506 0.030 20 0 FCADRP CCOC[C@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001252041933 1259775829 /nfs/dbraw/zinc/77/58/29/1259775829.db2.gz WINPGVJODJFAJD-ZWKOTPCHSA-N 2 0 363.502 0.788 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC001335690306 1259788344 /nfs/dbraw/zinc/78/83/44/1259788344.db2.gz HLTWADSIZHEDFC-UHFFFAOYSA-N 2 0 358.490 0.971 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335710700 1259798042 /nfs/dbraw/zinc/79/80/42/1259798042.db2.gz CSSIUCXMNVUFNR-MDYRTPRTSA-N 2 0 374.485 0.030 20 0 FCADRP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253391047 1259838676 /nfs/dbraw/zinc/83/86/76/1259838676.db2.gz WESLXEYUVZOGJN-BEFAXECRSA-N 2 0 368.522 0.138 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001335842355 1259865142 /nfs/dbraw/zinc/86/51/42/1259865142.db2.gz HOFODBDLFNUIHL-GOSISDBHSA-N 2 0 372.469 0.668 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001336035034 1259953000 /nfs/dbraw/zinc/95/30/00/1259953000.db2.gz MNUOBZPXQHEPLB-MJGOQNOKSA-N 2 0 365.522 0.321 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001256767128 1259959654 /nfs/dbraw/zinc/95/96/54/1259959654.db2.gz ANNYMOOWUCEZSD-YOEHRIQHSA-N 2 0 364.465 0.955 20 0 FCADRP CC1(C)OC[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)O1 ZINC001336076024 1259976601 /nfs/dbraw/zinc/97/66/01/1259976601.db2.gz OPVODMQDZRYLQE-OWCLPIDISA-N 2 0 352.479 0.748 20 0 FCADRP CC(C)[NH+]1CCC(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001257217250 1260002770 /nfs/dbraw/zinc/00/27/70/1260002770.db2.gz KZICDQJZDHDKTL-UHFFFAOYSA-N 2 0 356.492 0.955 20 0 FCADRP CCN1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738628 1260027189 /nfs/dbraw/zinc/02/71/89/1260027189.db2.gz BGYIWZQHWPQAHG-FIDHJVLJSA-N 2 0 368.474 0.770 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC001261384474 1260130226 /nfs/dbraw/zinc/13/02/26/1260130226.db2.gz QGCUQATUUSKJOR-SFHVURJKSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC001336802310 1260227036 /nfs/dbraw/zinc/22/70/36/1260227036.db2.gz VABJTHZTWRPEJG-YJBOKZPZSA-N 2 0 358.527 0.878 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001336810777 1260227793 /nfs/dbraw/zinc/22/77/93/1260227793.db2.gz IUYGKOXOUZXOTM-KSSFIOAISA-N 2 0 351.495 0.370 20 0 FCADRP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336857382 1260238868 /nfs/dbraw/zinc/23/88/68/1260238868.db2.gz CVAVIBAGOAGJSO-YVSFHVDLSA-N 2 0 363.506 0.511 20 0 FCADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001262009618 1260244970 /nfs/dbraw/zinc/24/49/70/1260244970.db2.gz CSAWJCLPTCHXTO-JKSUJKDBSA-N 2 0 362.478 0.433 20 0 FCADRP CONC(=O)C1CC[NH+](C/C=C/C[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001262020465 1260245873 /nfs/dbraw/zinc/24/58/73/1260245873.db2.gz AUCZFPXVJOZUTQ-ONEGZZNKSA-N 2 0 368.478 0.322 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001262031419 1260248046 /nfs/dbraw/zinc/24/80/46/1260248046.db2.gz QWOSWTYGIVLOHF-INIZCTEOSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+]1CCCC[C@@H]1C(=O)NCCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001336903976 1260249364 /nfs/dbraw/zinc/24/93/64/1260249364.db2.gz QOYGNCNVPKZBEY-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001262059429 1260252904 /nfs/dbraw/zinc/25/29/04/1260252904.db2.gz YTLIUCXADSFVSK-WKILWMFISA-N 2 0 366.506 0.239 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001262062229 1260253883 /nfs/dbraw/zinc/25/38/83/1260253883.db2.gz URBKWTVVKSHMJK-WBVHZDCISA-N 2 0 374.485 0.726 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001262062227 1260254255 /nfs/dbraw/zinc/25/42/55/1260254255.db2.gz URBKWTVVKSHMJK-NVXWUHKLSA-N 2 0 374.485 0.726 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001262067788 1260254871 /nfs/dbraw/zinc/25/48/71/1260254871.db2.gz KHCMINDUGADHGT-CALCHBBNSA-N 2 0 371.485 0.017 20 0 FCADRP CC1([NH+]2CCC2)CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC001336959081 1260268196 /nfs/dbraw/zinc/26/81/96/1260268196.db2.gz QIVGOYSGYKAXPY-LYGPFTKASA-N 2 0 365.522 0.890 20 0 FCADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC001336975890 1260273314 /nfs/dbraw/zinc/27/33/14/1260273314.db2.gz JJIYZBNWYQPKCT-ROUUACIJSA-N 2 0 373.501 0.850 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001336975329 1260273427 /nfs/dbraw/zinc/27/34/27/1260273427.db2.gz NBLXDVDTSIJFFF-BHIYHBOVSA-N 2 0 373.501 0.317 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001337077877 1260303630 /nfs/dbraw/zinc/30/36/30/1260303630.db2.gz MICVNEYAEARSHJ-SJORKVTESA-N 2 0 350.507 0.289 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001337312467 1260366324 /nfs/dbraw/zinc/36/63/24/1260366324.db2.gz YIRDWNIXSULXEY-JKSUJKDBSA-N 2 0 366.506 0.333 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)[C@H](C)C1 ZINC001337387440 1260387138 /nfs/dbraw/zinc/38/71/38/1260387138.db2.gz NJWMSJOLPTYSFX-FPCVCCKLSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCC3CCOCC3)CC2)CC[N@@H+]1C ZINC001265258372 1260410076 /nfs/dbraw/zinc/41/00/76/1260410076.db2.gz HDJXDNLJEPAEBT-IEBWSBKVSA-N 2 0 366.550 0.877 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001265478897 1260414036 /nfs/dbraw/zinc/41/40/36/1260414036.db2.gz SITBMRCACXZXHQ-CEEVZKBLSA-N 2 0 362.474 0.861 20 0 FCADRP CCCCC[N@H+](C)CCC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272741636 1260495236 /nfs/dbraw/zinc/49/52/36/1260495236.db2.gz KDMLJTDPVYCNAV-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001272745961 1260497468 /nfs/dbraw/zinc/49/74/68/1260497468.db2.gz UXGBBYBTTBZBTH-SJORKVTESA-N 2 0 360.502 0.768 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CCCC[N@@H+]2C)C3)CC1 ZINC001273137227 1260600204 /nfs/dbraw/zinc/60/02/04/1260600204.db2.gz IRPHJGPLTSNAAI-WRWLIDTKSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc(C(C)(C)O)nc4)CC3)[C@@H]2C1 ZINC001278920635 1260759252 /nfs/dbraw/zinc/75/92/52/1260759252.db2.gz QZIPZEPGJDXRHC-HZPDHXFCSA-N 2 0 358.486 0.951 20 0 FCADRP Cc1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001279287197 1260823190 /nfs/dbraw/zinc/82/31/90/1260823190.db2.gz SVTPQDPHEDLFTL-IAGOWNOFSA-N 2 0 360.506 0.292 20 0 FCADRP Cn1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(=O)n(C)c1=O ZINC001279407402 1260863442 /nfs/dbraw/zinc/86/34/42/1260863442.db2.gz BLCCPNLKRSHTBH-UHFFFAOYSA-N 2 0 357.458 0.510 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2COC(C)(C)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001279469835 1260875532 /nfs/dbraw/zinc/87/55/32/1260875532.db2.gz PZDRTCQHJOXOFL-LPHOPBHVSA-N 2 0 368.522 0.356 20 0 FCADRP COCC[NH+]1CC2(C1)CCOC[C@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279720810 1260921068 /nfs/dbraw/zinc/92/10/68/1260921068.db2.gz JWWLCGULOGSPLW-INIZCTEOSA-N 2 0 365.478 0.368 20 0 FCADRP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825940 1260938977 /nfs/dbraw/zinc/93/89/77/1260938977.db2.gz IBRDXCNQKVEZOI-DARAHFNDSA-N 2 0 360.462 0.726 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(-n4nccn4)cc3)C[C@@H]21 ZINC001279880516 1260949425 /nfs/dbraw/zinc/94/94/25/1260949425.db2.gz XHUUDPGOXBNPPW-OALUTQOASA-N 2 0 356.474 0.714 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(-n4nccn4)cc3)C[C@H]21 ZINC001279880514 1260949697 /nfs/dbraw/zinc/94/96/97/1260949697.db2.gz XHUUDPGOXBNPPW-MOPGFXCFSA-N 2 0 356.474 0.714 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@H+](C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001279900677 1260956326 /nfs/dbraw/zinc/95/63/26/1260956326.db2.gz UWALNMRIASGWAF-ZWOKBUDYSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914831 1260959073 /nfs/dbraw/zinc/95/90/73/1260959073.db2.gz VUQDNHDYGRIFFE-UWWQBHOKSA-N 2 0 366.506 0.012 20 0 FCADRP COCOCCCN1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280090063 1260997459 /nfs/dbraw/zinc/99/74/59/1260997459.db2.gz MBTIHCZQVAVCKC-UHFFFAOYSA-N 2 0 365.478 0.602 20 0 FCADRP CCOC(=O)CC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280091273 1260998421 /nfs/dbraw/zinc/99/84/21/1260998421.db2.gz LYJDEVSWIRZRJK-MRXNPFEDSA-N 2 0 367.490 0.489 20 0 FCADRP CN(Cc1ncccn1)C(=O)[C@@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001280134999 1261013513 /nfs/dbraw/zinc/01/35/13/1261013513.db2.gz IOKGYGAZPPRDLP-INIZCTEOSA-N 2 0 359.474 0.668 20 0 FCADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280202281 1261031290 /nfs/dbraw/zinc/03/12/90/1261031290.db2.gz YMLWKNFUJRYQCX-GVDBMIGSSA-N 2 0 361.490 0.024 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259445 1261043623 /nfs/dbraw/zinc/04/36/23/1261043623.db2.gz ONGARQPFRRNBLN-LMSBXDPUSA-N 2 0 361.490 0.847 20 0 FCADRP Cc1nc[nH]c1C[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280345098 1261060666 /nfs/dbraw/zinc/06/06/66/1261060666.db2.gz XXYQBFNDACTGGB-KYJSFNMBSA-N 2 0 361.490 0.908 20 0 FCADRP COCCOCCN1CCN(C(=O)c2cnn(-c3ccncc3)c2C)CC1 ZINC001332369938 1266388268 /nfs/dbraw/zinc/38/82/68/1266388268.db2.gz FRBKVSXZNRIPGI-UHFFFAOYSA-N 2 0 373.457 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC001281848291 1261231193 /nfs/dbraw/zinc/23/11/93/1261231193.db2.gz PYETZHQJOGDKPF-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C)[NH+](C)C ZINC001282360078 1261427168 /nfs/dbraw/zinc/42/71/68/1261427168.db2.gz DEPFYFHXTAESLJ-HYVNUMGLSA-N 2 0 368.522 0.543 20 0 FCADRP Cc1c(C(=O)NCCN2CCC([NH+](C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC001332514740 1266420431 /nfs/dbraw/zinc/42/04/31/1266420431.db2.gz DMVYLWBFAUKTHH-UHFFFAOYSA-N 2 0 363.510 0.267 20 0 FCADRP [NH3+]CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001580317132 1278118033 /nfs/dbraw/zinc/11/80/33/1278118033.db2.gz ZHZQBPNPKLCNKD-INIZCTEOSA-N 2 0 371.489 0.847 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001580313019 1278114724 /nfs/dbraw/zinc/11/47/24/1278114724.db2.gz RBLPFSZRSMBRSR-KGLIPLIRSA-N 2 0 372.477 0.674 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001580311257 1278115096 /nfs/dbraw/zinc/11/50/96/1278115096.db2.gz MIYCBTUARKIMTO-SFHVURJKSA-N 2 0 358.486 0.748 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)Cc2cncn2C)C(C)(C)C)CC[N@@H+]1C ZINC001288221092 1262013062 /nfs/dbraw/zinc/01/30/62/1262013062.db2.gz GPDBVJLPZRLRAU-BMFZPTHFSA-N 2 0 363.506 0.950 20 0 FCADRP COCCN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001288246742 1262016203 /nfs/dbraw/zinc/01/62/03/1262016203.db2.gz NEQKGIVSBHDIAZ-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580324040 1278125364 /nfs/dbraw/zinc/12/53/64/1278125364.db2.gz ATUZNMGHGRNISI-XJKCOSOUSA-N 2 0 370.461 0.284 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001289146718 1262127522 /nfs/dbraw/zinc/12/75/22/1262127522.db2.gz XULKLYLHFMNYLJ-IAGOWNOFSA-N 2 0 368.522 0.282 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC001290540238 1262467458 /nfs/dbraw/zinc/46/74/58/1262467458.db2.gz SNUSEHYIGCEYAV-KSZLIROESA-N 2 0 364.534 0.977 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001580345207 1278142279 /nfs/dbraw/zinc/14/22/79/1278142279.db2.gz IBSYOIQMQYVGOF-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC001293284525 1262714565 /nfs/dbraw/zinc/71/45/65/1262714565.db2.gz WQQVQFQCVTVXNE-SFHVURJKSA-N 2 0 361.490 0.280 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001476679261 1263070582 /nfs/dbraw/zinc/07/05/82/1263070582.db2.gz FZROGIUOTPDPQT-HOTGVXAUSA-N 2 0 364.494 0.944 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC001308197668 1263216186 /nfs/dbraw/zinc/21/61/86/1263216186.db2.gz NMCSRFSJQATIOQ-UHFFFAOYSA-N 2 0 364.538 0.682 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001479506749 1263234430 /nfs/dbraw/zinc/23/44/30/1263234430.db2.gz NMXQEOYFLGLRNP-BHYGNILZSA-N 2 0 365.522 0.663 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001580385827 1278205789 /nfs/dbraw/zinc/20/57/89/1278205789.db2.gz VYWWXHQCARVNMF-ZIAGYGMSSA-N 2 0 372.477 0.887 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)NCC3(O)CC[NH+](C)CC3)CC2)CC1 ZINC001318799589 1263611156 /nfs/dbraw/zinc/61/11/56/1263611156.db2.gz HJNYMISYPQPJTQ-UHFFFAOYSA-N 2 0 367.538 0.301 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001495160897 1263801544 /nfs/dbraw/zinc/80/15/44/1263801544.db2.gz NVSCNDYBAOJNKZ-BFHYXJOUSA-N 2 0 367.494 0.189 20 0 FCADRP Cc1c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc2c[nH+]cn21 ZINC001320838246 1263866951 /nfs/dbraw/zinc/86/69/51/1263866951.db2.gz DADHDVRTZVMOKC-UHFFFAOYSA-N 2 0 369.429 0.769 20 0 FCADRP Cc1ccc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001496978434 1263907423 /nfs/dbraw/zinc/90/74/23/1263907423.db2.gz CEJJOKVMWZOLIK-DJIMGWMZSA-N 2 0 362.474 0.340 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001321521474 1263982190 /nfs/dbraw/zinc/98/21/90/1263982190.db2.gz RJQIQZXDSVKZTP-HOTGVXAUSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580390171 1278220462 /nfs/dbraw/zinc/22/04/62/1278220462.db2.gz WKQAAPGLCUVQNM-BASLNEPJSA-N 2 0 369.473 0.944 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580401041 1278226867 /nfs/dbraw/zinc/22/68/67/1278226867.db2.gz ZRAKYOIHFBWNEM-ABAIWWIYSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)Cc3ccco3)CC2)CC[N@@H+]1C ZINC001323443132 1264430289 /nfs/dbraw/zinc/43/02/89/1264430289.db2.gz ORWFCNDSGHGVDV-GDBMZVCRSA-N 2 0 362.474 0.817 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001325330302 1264848593 /nfs/dbraw/zinc/84/85/93/1264848593.db2.gz CGPCVODQTZWIFH-HNNXBMFYSA-N 2 0 359.474 0.506 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001325369993 1264864991 /nfs/dbraw/zinc/86/49/91/1264864991.db2.gz POPIMQOXJLNZRU-UHFFFAOYSA-N 2 0 359.474 0.373 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001325829783 1265005099 /nfs/dbraw/zinc/00/50/99/1265005099.db2.gz GEGDPUWZFWFNAF-RYQLBKOJSA-N 2 0 358.486 0.834 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CC=CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001326193395 1265076401 /nfs/dbraw/zinc/07/64/01/1265076401.db2.gz NYRKZEIJJAKZOW-UHFFFAOYSA-N 2 0 356.470 0.885 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001513391921 1265089695 /nfs/dbraw/zinc/08/96/95/1265089695.db2.gz IPQPNNFXEOOXKT-NUJGCVRESA-N 2 0 368.522 0.399 20 0 FCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001326287813 1265094002 /nfs/dbraw/zinc/09/40/02/1265094002.db2.gz LOFRJJBWDRAQGH-IAGOWNOFSA-N 2 0 357.458 0.506 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@@H]21 ZINC001326472049 1265118277 /nfs/dbraw/zinc/11/82/77/1265118277.db2.gz ICJFOHLQMDEHJW-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC=CC1 ZINC001326641537 1265148554 /nfs/dbraw/zinc/14/85/54/1265148554.db2.gz XODNYRZMEHBQPB-UHFFFAOYSA-N 2 0 357.458 0.545 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC001327246873 1265264288 /nfs/dbraw/zinc/26/42/88/1265264288.db2.gz NZHOEGNIBGNLPY-SFHVURJKSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574109 1266432613 /nfs/dbraw/zinc/43/26/13/1266432613.db2.gz SIEFMBYCGFRACT-KSZLIROESA-N 2 0 367.538 0.694 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC001332673706 1266458498 /nfs/dbraw/zinc/45/84/98/1266458498.db2.gz YSKNNXBAEGUJQS-WFXMLNOXSA-N 2 0 372.513 0.863 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001332673644 1266459058 /nfs/dbraw/zinc/45/90/58/1266459058.db2.gz WZJVYZYGEIBDLY-UXLLHSPISA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)cn2)CC1 ZINC001332992430 1266518541 /nfs/dbraw/zinc/51/85/41/1266518541.db2.gz HFCQAYIKNALKNR-UHFFFAOYSA-N 2 0 358.450 0.918 20 0 FCADRP C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CCO1 ZINC001333396782 1266592078 /nfs/dbraw/zinc/59/20/78/1266592078.db2.gz CFPKIVXMVXBPIX-WBAXXEDZSA-N 2 0 372.469 0.096 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001333448310 1266604887 /nfs/dbraw/zinc/60/48/87/1266604887.db2.gz NNYQPBLBOFKLRT-SAABIXHNSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001580417914 1278270231 /nfs/dbraw/zinc/27/02/31/1278270231.db2.gz RQGMMPWURHTZKT-CQSZACIVSA-N 2 0 372.477 0.866 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001333641604 1266663062 /nfs/dbraw/zinc/66/30/62/1266663062.db2.gz BEEFAZMTAYCSGB-INIZCTEOSA-N 2 0 359.474 0.380 20 0 FCADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001333795219 1266719922 /nfs/dbraw/zinc/71/99/22/1266719922.db2.gz XCPHCHGXIVSHLS-HNNXBMFYSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC001333958582 1266757326 /nfs/dbraw/zinc/75/73/26/1266757326.db2.gz CGFNPEXWBGSYKF-MBOZVWFJSA-N 2 0 358.486 0.868 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC001334215999 1266892233 /nfs/dbraw/zinc/89/22/33/1266892233.db2.gz TUWZJSWGNKQXBJ-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP O=C(NCCN1CCC2(C1)OCCO2)NC1CC[NH+](CC2CC2)CC1 ZINC001527877163 1266930648 /nfs/dbraw/zinc/93/06/48/1266930648.db2.gz BOWFNQFPXHQDAF-UHFFFAOYSA-N 2 0 352.479 0.609 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)NCCN2CCC3(C2)OCCO3)c1 ZINC001527877133 1266930946 /nfs/dbraw/zinc/93/09/46/1266930946.db2.gz AWLWQWQCUNNJML-UHFFFAOYSA-N 2 0 362.474 0.996 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099759 1266943427 /nfs/dbraw/zinc/94/34/27/1266943427.db2.gz FGUJMXJOIYCCKR-QZTJIDSGSA-N 2 0 363.550 0.251 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@@H+]1C ZINC001529794034 1267078137 /nfs/dbraw/zinc/07/81/37/1267078137.db2.gz FRRPPTYGMYOXQH-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001542692048 1267504368 /nfs/dbraw/zinc/50/43/68/1267504368.db2.gz UDDNFYMMLIKQTG-ROUUACIJSA-N 3 0 354.539 0.829 20 0 FCADRP Cn1cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001548938260 1267773634 /nfs/dbraw/zinc/77/36/34/1267773634.db2.gz KUXMYSMAUGWSEV-HIFRSBDPSA-N 2 0 372.477 0.415 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937097 1267774717 /nfs/dbraw/zinc/77/47/17/1267774717.db2.gz FDHCOWXTCYVICR-JSGCOSHPSA-N 2 0 358.450 0.404 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC001549047670 1267794704 /nfs/dbraw/zinc/79/47/04/1267794704.db2.gz VZELBGXNDVMOLM-XHSDSOJGSA-N 2 0 362.478 0.561 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)cnn1C ZINC001549045531 1267794909 /nfs/dbraw/zinc/79/49/09/1267794909.db2.gz COMGQNQKEYTPRJ-WXHSDQCUSA-N 2 0 360.487 0.943 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)nn1 ZINC001549045833 1267795389 /nfs/dbraw/zinc/79/53/89/1267795389.db2.gz ALNHCDYADDEVBG-RHSMWYFYSA-N 2 0 372.429 0.101 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C[C@H]2[NH3+])cn1 ZINC001549074357 1267798755 /nfs/dbraw/zinc/79/87/55/1267798755.db2.gz SGUADCHFGHCJRJ-IAGOWNOFSA-N 2 0 369.473 0.134 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCCO1 ZINC001549075294 1267801558 /nfs/dbraw/zinc/80/15/58/1267801558.db2.gz SELSPDJNYCAQNX-QZTJIDSGSA-N 2 0 357.458 0.377 20 0 FCADRP C[C@@H](CN1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338449511 1267944806 /nfs/dbraw/zinc/94/48/06/1267944806.db2.gz UMYFTNXOHFYZID-RYQLBKOJSA-N 2 0 365.522 0.317 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)CC1 ZINC001549604769 1267969939 /nfs/dbraw/zinc/96/99/39/1267969939.db2.gz DPPNXSIPZGRMLJ-IAGOWNOFSA-N 2 0 363.510 0.054 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001549723301 1267978362 /nfs/dbraw/zinc/97/83/62/1267978362.db2.gz YDWSPOYAENFXLK-IAGOWNOFSA-N 2 0 370.457 0.873 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001549728134 1267979522 /nfs/dbraw/zinc/97/95/22/1267979522.db2.gz KDRYFSMONVBPLF-ACWOFJMJSA-N 2 0 350.507 0.775 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549733011 1267981298 /nfs/dbraw/zinc/98/12/98/1267981298.db2.gz FTXDIODSCCAWTQ-ILXRZTDVSA-N 2 0 357.462 0.416 20 0 FCADRP [NH3+]C[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC001549759694 1267992306 /nfs/dbraw/zinc/99/23/06/1267992306.db2.gz VCPRMKLIIRMOEZ-GOSISDBHSA-N 2 0 353.507 0.995 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001338686913 1268042456 /nfs/dbraw/zinc/04/24/56/1268042456.db2.gz KHVAFEAQWNBGPP-RBUKOAKNSA-N 2 0 357.502 0.985 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001338718658 1268059645 /nfs/dbraw/zinc/05/96/45/1268059645.db2.gz GXXRKDBMZCUJQH-MRXNPFEDSA-N 2 0 374.485 0.261 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cc1 ZINC001550114643 1268075750 /nfs/dbraw/zinc/07/57/50/1268075750.db2.gz YLHMBJHYZUOJTG-YESZJQIVSA-N 2 0 360.458 0.207 20 0 FCADRP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)c1nnn(C3CC[NH2+]CC3)c1C(F)F)C2 ZINC001550116205 1268077612 /nfs/dbraw/zinc/07/76/12/1268077612.db2.gz KCNPCKOEFKULAW-QLJPJBMISA-N 2 0 354.405 0.822 20 0 FCADRP CC(C)(C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC001550205084 1268090394 /nfs/dbraw/zinc/09/03/94/1268090394.db2.gz VQLUCNYGANSDMA-UHFFFAOYSA-N 2 0 365.522 0.003 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)c1 ZINC001550208597 1268090663 /nfs/dbraw/zinc/09/06/63/1268090663.db2.gz JARAGZUDTSGAEL-RDJZCZTQSA-N 2 0 370.457 0.916 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC001550199444 1268091710 /nfs/dbraw/zinc/09/17/10/1268091710.db2.gz DWRGOCBDRTYZBM-WMLDXEAASA-N 2 0 356.430 0.608 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](C)[NH+]1CCO ZINC001550286098 1268104469 /nfs/dbraw/zinc/10/44/69/1268104469.db2.gz JWYHVJPVMFMNRY-BZUAXINKSA-N 2 0 354.495 0.242 20 0 FCADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550284032 1268104492 /nfs/dbraw/zinc/10/44/92/1268104492.db2.gz SIUICCXHZIIWQB-PMPSAXMXSA-N 2 0 354.495 0.242 20 0 FCADRP Cn1cc(CN2CC[C@H]([NH+](C)C)C2)c(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC001550366203 1268107945 /nfs/dbraw/zinc/10/79/45/1268107945.db2.gz CDWBEPGJYCOQEB-RYRKJORJSA-N 2 0 374.533 0.580 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H](O)C2 ZINC001550478241 1268124380 /nfs/dbraw/zinc/12/43/80/1268124380.db2.gz MIKBSILUEBSNEG-WMEZAQDKSA-N 2 0 363.506 0.654 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540296 1268129689 /nfs/dbraw/zinc/12/96/89/1268129689.db2.gz BCMWVQKMUICMEV-IKGGRYGDSA-N 2 0 374.485 0.836 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338966392 1268131951 /nfs/dbraw/zinc/13/19/51/1268131951.db2.gz WHSOBSDGRIXJTO-OAGGEKHMSA-N 2 0 354.495 0.012 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001550748078 1268161237 /nfs/dbraw/zinc/16/12/37/1268161237.db2.gz QUNCIAOYMPLFKU-ZMSDIMECSA-N 2 0 365.522 0.711 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001550754472 1268162815 /nfs/dbraw/zinc/16/28/15/1268162815.db2.gz KLVMEMRCCHKNGM-USXIJHARSA-N 2 0 359.474 0.963 20 0 FCADRP COc1cccc(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC001550913856 1268184473 /nfs/dbraw/zinc/18/44/73/1268184473.db2.gz QAYVDTJMBKVDRM-LPHOPBHVSA-N 2 0 360.458 0.870 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912658 1268184750 /nfs/dbraw/zinc/18/47/50/1268184750.db2.gz JKSSPNXZNQRJNK-PSFFPDNBSA-N 2 0 350.507 0.918 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001550980903 1268187999 /nfs/dbraw/zinc/18/79/99/1268187999.db2.gz SDHQEFZAPHMYSC-BRWVUGGUSA-N 2 0 354.495 0.600 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001551160389 1268211612 /nfs/dbraw/zinc/21/16/12/1268211612.db2.gz XUNOEBXWMFPFKZ-TVRKMHQQSA-N 2 0 351.491 0.857 20 0 FCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](c3nn(C)c(=O)n3C)C[C@@H]2O)CC1 ZINC001551224149 1268214765 /nfs/dbraw/zinc/21/47/65/1268214765.db2.gz RTKYRGRXUWLQDA-YCPHGPKFSA-N 2 0 351.495 0.436 20 0 FCADRP CC1([NH+]2CCCC2)CCC(NC(=O)N2C[C@@H](n3ccnn3)[C@@H]([NH3+])C2)CC1 ZINC001551471623 1268257520 /nfs/dbraw/zinc/25/75/20/1268257520.db2.gz RSZPRLKSHIBBQK-BNQMIIOLSA-N 2 0 361.494 0.969 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC(C[NH3+])(c2ccccc2)C1 ZINC001551486921 1268261015 /nfs/dbraw/zinc/26/10/15/1268261015.db2.gz ZQAYGONWCWXPOE-PPDQVPDSSA-N 2 0 359.518 0.981 20 0 FCADRP [NH3+]C[C@]12C[C@H](CN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)CCC2 ZINC001551553391 1268265711 /nfs/dbraw/zinc/26/57/11/1268265711.db2.gz GTKMUPHZMNPDPI-PBYMTVQHSA-N 2 0 363.506 0.546 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCCC12CC[NH2+]CC2 ZINC001551551762 1268265928 /nfs/dbraw/zinc/26/59/28/1268265928.db2.gz BPKZNDBINXSWRY-RDJZCZTQSA-N 2 0 363.506 0.561 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551555295 1268267191 /nfs/dbraw/zinc/26/71/91/1268267191.db2.gz NMMASLPTYRAJDH-RDJZCZTQSA-N 2 0 365.522 0.664 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551558750 1268270004 /nfs/dbraw/zinc/27/00/04/1268270004.db2.gz ZRHPCLRRSNBUBE-HOCLYGCPSA-N 2 0 351.495 0.546 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551569021 1268273415 /nfs/dbraw/zinc/27/34/15/1268273415.db2.gz CSZJUGUBNIKTFE-FUHWJXTLSA-N 2 0 365.522 0.664 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551567648 1268273849 /nfs/dbraw/zinc/27/38/49/1268273849.db2.gz HJRFPDMVJPCKKJ-AEFFLSMTSA-N 2 0 365.522 0.805 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C2 ZINC001551575672 1268274923 /nfs/dbraw/zinc/27/49/23/1268274923.db2.gz GPPIHULHVFUGDL-GFIVTLFCSA-N 2 0 363.506 0.404 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551576926 1268275478 /nfs/dbraw/zinc/27/54/78/1268275478.db2.gz KUPSPJIQFMFUJW-CRNXPOROSA-N 2 0 351.495 0.402 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551578928 1268276586 /nfs/dbraw/zinc/27/65/86/1268276586.db2.gz NNSGRSRBZVPQOC-DOTOQJQBSA-N 2 0 351.495 0.322 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551585360 1268279192 /nfs/dbraw/zinc/27/91/92/1268279192.db2.gz ATUZEOSQUKVIKA-IIVZCXTMSA-N 2 0 365.522 0.757 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551586270 1268279247 /nfs/dbraw/zinc/27/92/47/1268279247.db2.gz CAYYUNKYISFNHE-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551592794 1268280508 /nfs/dbraw/zinc/28/05/08/1268280508.db2.gz NAVGZTLXIWXONO-LXZKKBNFSA-N 2 0 351.495 0.226 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551590304 1268280552 /nfs/dbraw/zinc/28/05/52/1268280552.db2.gz YFCALHIMSCIMOI-NLGTXKQRSA-N 2 0 365.522 0.888 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551593815 1268280848 /nfs/dbraw/zinc/28/08/48/1268280848.db2.gz OKACHIJZOJZAQV-WBVHZDCISA-N 2 0 351.495 0.370 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551588798 1268281175 /nfs/dbraw/zinc/28/11/75/1268281175.db2.gz GSOZZCNTCZMPCW-FUHWJXTLSA-N 2 0 365.522 0.616 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597763 1268281642 /nfs/dbraw/zinc/28/16/42/1268281642.db2.gz WZDIGDLXMARNRE-AEFFLSMTSA-N 2 0 365.522 0.664 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596438 1268281686 /nfs/dbraw/zinc/28/16/86/1268281686.db2.gz TZJFTVGWSCDLFN-ZVZYQTTQSA-N 2 0 365.522 0.616 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597041 1268281713 /nfs/dbraw/zinc/28/17/13/1268281713.db2.gz UOCWPELLJAEWOA-AEFFLSMTSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC001339854660 1268349891 /nfs/dbraw/zinc/34/98/91/1268349891.db2.gz IPFGLNATURTLKA-VKJFTORMSA-N 2 0 372.469 0.922 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001552013513 1268352619 /nfs/dbraw/zinc/35/26/19/1268352619.db2.gz SYKMQEDIJRSBJB-MLHJIOFPSA-N 2 0 366.506 0.744 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3c3cnn(C)c3C)C2)CC1 ZINC001552088565 1268367232 /nfs/dbraw/zinc/36/72/32/1268367232.db2.gz UXVVOVJMPBEZLR-QRQLOZEOSA-N 2 0 374.533 0.270 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3C3CC[NH2+]CC3)C[C@@H]2[NH3+])cn1 ZINC001552095115 1268372267 /nfs/dbraw/zinc/37/22/67/1268372267.db2.gz VAIYSBCIFGBILS-NXOAAHMSSA-N 2 0 362.478 0.013 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001552127631 1268387256 /nfs/dbraw/zinc/38/72/56/1268387256.db2.gz VZMQCVXVYBXWFR-RBSFLKMASA-N 2 0 350.467 0.554 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552153386 1268395057 /nfs/dbraw/zinc/39/50/57/1268395057.db2.gz DSQRCPCKXIGBCL-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168813 1268400732 /nfs/dbraw/zinc/40/07/32/1268400732.db2.gz WGOLUOLSSGLMAO-CVEARBPZSA-N 2 0 361.494 0.053 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001552188992 1268406579 /nfs/dbraw/zinc/40/65/79/1268406579.db2.gz XDBRUBWYALIKFC-BEFAXECRSA-N 2 0 365.522 0.700 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201429 1268408243 /nfs/dbraw/zinc/40/82/43/1268408243.db2.gz WABALHHKDBQEDA-QUCCMNQESA-N 2 0 358.486 0.286 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202166 1268408272 /nfs/dbraw/zinc/40/82/72/1268408272.db2.gz BUAIZRWHICNVGJ-CTNGQTDRSA-N 2 0 372.513 0.676 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cn2)CC1 ZINC001552202235 1268408281 /nfs/dbraw/zinc/40/82/81/1268408281.db2.gz FSIGAZOSMBXJIF-APWZRJJASA-N 2 0 359.474 0.076 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202895 1268409315 /nfs/dbraw/zinc/40/93/15/1268409315.db2.gz SKVBZHKWFLWQAL-XLIONFOSSA-N 2 0 358.486 0.999 20 0 FCADRP O=C(NCc1cn(C2CC[NH2+]CC2)nn1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001552212398 1268411476 /nfs/dbraw/zinc/41/14/76/1268411476.db2.gz OCMZTMGRLJVJHS-IBGZPJMESA-N 2 0 354.458 0.750 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552215950 1268412417 /nfs/dbraw/zinc/41/24/17/1268412417.db2.gz IMVMDFXGQLJHMU-HRCADAONSA-N 2 0 358.421 0.827 20 0 FCADRP O=C(N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552217574 1268413380 /nfs/dbraw/zinc/41/33/80/1268413380.db2.gz SZINTTPXVNFWBC-LBTNJELSSA-N 2 0 362.499 0.850 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC001552257185 1268423592 /nfs/dbraw/zinc/42/35/92/1268423592.db2.gz JJEAQMPQZITGGC-JOQOYGCGSA-N 2 0 364.494 0.203 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)[C@H]3C[C@@H]3C3CC[NH2+]CC3)c2)nn1 ZINC001552275489 1268430839 /nfs/dbraw/zinc/43/08/39/1268430839.db2.gz PLAQSSQJVOXDLI-MSOLQXFVSA-N 2 0 354.458 0.978 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283885 1268433289 /nfs/dbraw/zinc/43/32/89/1268433289.db2.gz VIOWFZLBOSEXPL-CIWUYKSXSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283893 1268433467 /nfs/dbraw/zinc/43/34/67/1268433467.db2.gz VIOWFZLBOSEXPL-WQDJSCAQSA-N 2 0 365.518 0.960 20 0 FCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@H]([NH3+])CO)CC1 ZINC001340118233 1268441170 /nfs/dbraw/zinc/44/11/70/1268441170.db2.gz HKABUVIVQSLUJS-CYBMUJFWSA-N 2 0 360.380 0.393 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1c1cccc(F)c1 ZINC001552430995 1268461226 /nfs/dbraw/zinc/46/12/26/1268461226.db2.gz OGDYYSIUYFUIHD-HZPDHXFCSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1cccc(F)c1 ZINC001552430991 1268461299 /nfs/dbraw/zinc/46/12/99/1268461299.db2.gz OGDYYSIUYFUIHD-HOTGVXAUSA-N 2 0 358.421 0.909 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434467 1268462331 /nfs/dbraw/zinc/46/23/31/1268462331.db2.gz RJJGCHIWMSTMBE-QGZVFWFLSA-N 2 0 369.473 0.910 20 0 FCADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH2+]CCN2C)CCOCC1)c1ccccc1 ZINC001340221778 1268475332 /nfs/dbraw/zinc/47/53/32/1268475332.db2.gz FSBONPIFZNMGJY-WMZOPIPTSA-N 2 0 360.502 0.906 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340239694 1268481151 /nfs/dbraw/zinc/48/11/51/1268481151.db2.gz BBEFUOGGAMDHHE-FOIQADDNSA-N 2 0 360.502 0.938 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001552600197 1268484205 /nfs/dbraw/zinc/48/42/05/1268484205.db2.gz VERNCPRPJBQBHP-SJORKVTESA-N 2 0 363.510 0.895 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC001552692556 1268521553 /nfs/dbraw/zinc/52/15/53/1268521553.db2.gz JZGZJCSKXPIGGP-UHFFFAOYSA-N 2 0 374.489 0.257 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552693340 1268521866 /nfs/dbraw/zinc/52/18/66/1268521866.db2.gz AIGMCHRUVLJIOE-BFYDXBDKSA-N 2 0 363.510 0.476 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001340397058 1268534920 /nfs/dbraw/zinc/53/49/20/1268534920.db2.gz DCYIEVIERSFQNL-ICSRJNTNSA-N 2 0 361.486 0.898 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770519 1268543030 /nfs/dbraw/zinc/54/30/30/1268543030.db2.gz WLDDCAGAACJWHI-KRWDZBQOSA-N 2 0 366.554 0.044 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC001552808671 1268552826 /nfs/dbraw/zinc/55/28/26/1268552826.db2.gz YZLRVOJLCJMSOV-SQNIBIBYSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC001552839925 1268558347 /nfs/dbraw/zinc/55/83/47/1268558347.db2.gz OFCDWEXPQJAEDH-ZYHUDNBSSA-N 2 0 354.405 0.964 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC001552966030 1268570613 /nfs/dbraw/zinc/57/06/13/1268570613.db2.gz PHLHHDJQTSOYMM-GOSISDBHSA-N 2 0 350.507 0.336 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC001552976092 1268572024 /nfs/dbraw/zinc/57/20/24/1268572024.db2.gz MRJMJQDTNBOJFX-UHFFFAOYSA-N 2 0 356.514 0.791 20 0 FCADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376638 1268638819 /nfs/dbraw/zinc/63/88/19/1268638819.db2.gz XELFAZCZVBFEHX-DHSIGJKJSA-N 2 0 365.499 0.809 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384826 1268640554 /nfs/dbraw/zinc/64/05/54/1268640554.db2.gz XELXSJSRDSZNMS-KXBFYZLASA-N 2 0 360.458 0.542 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@H]2C1 ZINC001553385272 1268642886 /nfs/dbraw/zinc/64/28/86/1268642886.db2.gz ZVOZHTYZWGXVFJ-SCLBCKFNSA-N 2 0 364.877 0.727 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@H]2C1 ZINC001553399740 1268643724 /nfs/dbraw/zinc/64/37/24/1268643724.db2.gz TVDLNVNUEBFQMM-DYZYQPBXSA-N 2 0 370.375 0.700 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553405796 1268644974 /nfs/dbraw/zinc/64/49/74/1268644974.db2.gz DPHCKEKDUZJSEI-AABGKKOBSA-N 2 0 372.513 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)C[C@H](C)O1 ZINC001553430467 1268648906 /nfs/dbraw/zinc/64/89/06/1268648906.db2.gz MUIAENZGICEEDM-ILMPWQCYSA-N 2 0 351.491 0.854 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553448791 1268651807 /nfs/dbraw/zinc/65/18/07/1268651807.db2.gz KOXFZGBHESNHLT-JKSUJKDBSA-N 2 0 365.522 0.570 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340772019 1268652086 /nfs/dbraw/zinc/65/20/86/1268652086.db2.gz CAIYYRTUWZAYRL-KRWDZBQOSA-N 2 0 372.469 0.902 20 0 FCADRP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@H]1CN(C)CCO1 ZINC001553460703 1268654709 /nfs/dbraw/zinc/65/47/09/1268654709.db2.gz AKTLAGGGQRQBBI-YXJHDRRASA-N 2 0 354.495 0.493 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001553461613 1268655781 /nfs/dbraw/zinc/65/57/81/1268655781.db2.gz CSWGPGSTTMGXOK-IKGGRYGDSA-N 2 0 366.506 0.432 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001553461618 1268656214 /nfs/dbraw/zinc/65/62/14/1268656214.db2.gz CSWGPGSTTMGXOK-IXDOHACOSA-N 2 0 366.506 0.432 20 0 FCADRP CCO[C@H]1COC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553491291 1268658721 /nfs/dbraw/zinc/65/87/21/1268658721.db2.gz UTVFTOGQMSEMCS-TWMKSMIVSA-N 2 0 352.479 0.401 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553505630 1268659791 /nfs/dbraw/zinc/65/97/91/1268659791.db2.gz UOTCKKYKLRFWGW-MCIONIFRSA-N 2 0 363.428 0.464 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001553512049 1268661062 /nfs/dbraw/zinc/66/10/62/1268661062.db2.gz VEITZNIKSQHYAF-HOTGVXAUSA-N 2 0 352.479 0.308 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553528832 1268664826 /nfs/dbraw/zinc/66/48/26/1268664826.db2.gz VHWNOXYUWUFLRK-LMMKCTJWSA-N 2 0 365.522 0.224 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001553544484 1268665577 /nfs/dbraw/zinc/66/55/77/1268665577.db2.gz QNSLZHXGGBTURE-GZBFAFLISA-N 2 0 365.457 0.018 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001340879607 1268691460 /nfs/dbraw/zinc/69/14/60/1268691460.db2.gz HYSFDQCBYRGMKC-SFHVURJKSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001340931173 1268714988 /nfs/dbraw/zinc/71/49/88/1268714988.db2.gz WVIOSFUDVLEGIX-OWLYRPNTSA-N 2 0 351.491 0.998 20 0 FCADRP C[C@@H](OC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001340931171 1268715150 /nfs/dbraw/zinc/71/51/50/1268715150.db2.gz WVIOSFUDVLEGIX-NRSFXHEJSA-N 2 0 351.491 0.998 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C34CC(C3)C[NH2+]4)CC2)CC1 ZINC001340955569 1268722534 /nfs/dbraw/zinc/72/25/34/1268722534.db2.gz CKEGMMPUNSYRTB-UHFFFAOYSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001341102976 1268785370 /nfs/dbraw/zinc/78/53/70/1268785370.db2.gz LOCNEZOIBHTQSE-QZTJIDSGSA-N 2 0 371.485 0.548 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001341633322 1269122969 /nfs/dbraw/zinc/12/29/69/1269122969.db2.gz AUDDBJAGHIHITE-OLZOCXBDSA-N 2 0 358.408 0.726 20 0 FCADRP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001580534521 1278462135 /nfs/dbraw/zinc/46/21/35/1278462135.db2.gz VGGYKXJPIZHQOW-RHSMWYFYSA-N 2 0 366.893 0.549 20 0 FCADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001341795712 1269212364 /nfs/dbraw/zinc/21/23/64/1269212364.db2.gz JCMLCJRNUZENIX-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CSCC[NH2+]2)CC1=O ZINC001341897763 1269256985 /nfs/dbraw/zinc/25/69/85/1269256985.db2.gz NLYQQLKXAZQBCA-BZUAXINKSA-N 2 0 368.547 0.531 20 0 FCADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccc2c(c1)CC[NH2+]CC2 ZINC001342042846 1269317063 /nfs/dbraw/zinc/31/70/63/1269317063.db2.gz CPRJYVQKJPQHFG-AZUAARDMSA-N 2 0 359.470 0.330 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001342084305 1269339237 /nfs/dbraw/zinc/33/92/37/1269339237.db2.gz CNFJUGBRNPUDHT-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925171 1269521069 /nfs/dbraw/zinc/52/10/69/1269521069.db2.gz WACDNVYCXHIHCN-BHYGNILZSA-N 2 0 363.506 0.823 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001566048547 1269580032 /nfs/dbraw/zinc/58/00/32/1269580032.db2.gz SJBKGFMYGSLJMR-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001343066515 1269754667 /nfs/dbraw/zinc/75/46/67/1269754667.db2.gz XPPJZVJFGZQQSU-KLHDSHLOSA-N 2 0 366.506 0.010 20 0 FCADRP 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 ZINC001343089235 1269765013 /nfs/dbraw/zinc/76/50/13/1269765013.db2.gz ULSVKFZRUMAPPA-QKPAOTATSA-N 2 0 356.511 0.255 20 0 FCADRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001343252115 1269829821 /nfs/dbraw/zinc/82/98/21/1269829821.db2.gz TUOSYEUWUYRVEF-UHFFFAOYSA-N 2 0 354.458 0.645 20 0 FCADRP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001344032629 1270081295 /nfs/dbraw/zinc/08/12/95/1270081295.db2.gz OVPACSRSRUTWSO-INIZCTEOSA-N 2 0 363.506 0.512 20 0 FCADRP NC(=O)C1CCN(C(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC001344077300 1270090570 /nfs/dbraw/zinc/09/05/70/1270090570.db2.gz XTXBOHFCOSSFGV-UHFFFAOYSA-N 2 0 366.506 0.145 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001344949894 1270281598 /nfs/dbraw/zinc/28/15/98/1270281598.db2.gz GXQKMSVYSJRJOR-BQFCYCMXSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[C@@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001573976657 1270971223 /nfs/dbraw/zinc/97/12/23/1270971223.db2.gz XQILOFMGDODRMT-INIZCTEOSA-N 2 0 372.477 0.933 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209263 1271095195 /nfs/dbraw/zinc/09/51/95/1271095195.db2.gz DGAPWVXPOQEHOM-XJKSGUPXSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251495 1271120408 /nfs/dbraw/zinc/12/04/08/1271120408.db2.gz GETLNHWJVHEFCP-GOSISDBHSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574255188 1271125573 /nfs/dbraw/zinc/12/55/73/1271125573.db2.gz NOOSHWYTUZPNHH-IRXDYDNUSA-N 2 0 369.473 0.992 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574264757 1271140983 /nfs/dbraw/zinc/14/09/83/1271140983.db2.gz MIYHINZYYKRLEO-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574287926 1271162716 /nfs/dbraw/zinc/16/27/16/1271162716.db2.gz AVFCMQFTGMIKDN-HNNXBMFYSA-N 2 0 358.450 0.687 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001574359248 1271232002 /nfs/dbraw/zinc/23/20/02/1271232002.db2.gz LRSANYZLJVZYCZ-INIZCTEOSA-N 2 0 372.477 0.673 20 0 FCADRP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574542983 1271323486 /nfs/dbraw/zinc/32/34/86/1271323486.db2.gz GVJKNKOFTLVSLC-STQMWFEESA-N 2 0 370.461 0.475 20 0 FCADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574592736 1271392262 /nfs/dbraw/zinc/39/22/62/1271392262.db2.gz KMXGOHMQQSHUCH-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598415 1271401858 /nfs/dbraw/zinc/40/18/58/1271401858.db2.gz QJKMWLZKIZYRDW-XJKSGUPXSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599207 1271402332 /nfs/dbraw/zinc/40/23/32/1271402332.db2.gz ZTTVQITUMLLSOR-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574606168 1271411903 /nfs/dbraw/zinc/41/19/03/1271411903.db2.gz QCWDSDKMSOORHD-CYBMUJFWSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001574780183 1271514928 /nfs/dbraw/zinc/51/49/28/1271514928.db2.gz XYJNOGQHVMLUQG-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870871 1271622644 /nfs/dbraw/zinc/62/26/44/1271622644.db2.gz DWQRNCQVJDPTGG-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574874129 1271625660 /nfs/dbraw/zinc/62/56/60/1271625660.db2.gz CEFUMMITBSMXTD-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP CC(C)(C)OC(=O)NCC[N@H+](CCCC1CC[NH2+]CC1)C[C@H](O)CO ZINC001575223458 1271821454 /nfs/dbraw/zinc/82/14/54/1271821454.db2.gz IMJAZIULPGPVLG-INIZCTEOSA-N 2 0 359.511 0.946 20 0 FCADRP C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575380867 1272023978 /nfs/dbraw/zinc/02/39/78/1272023978.db2.gz XZZJLSQZCWMKLA-NEPJUHHUSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575389347 1272037639 /nfs/dbraw/zinc/03/76/39/1272037639.db2.gz UCQXAEHLQVIYHN-MNOVXSKESA-N 2 0 351.480 0.863 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575390403 1272038584 /nfs/dbraw/zinc/03/85/84/1272038584.db2.gz ZRXPSBBYAKKWAI-VXGBXAGGSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575682061 1272294088 /nfs/dbraw/zinc/29/40/88/1272294088.db2.gz KRKHUNRBQLAGRF-OAHLLOKOSA-N 2 0 363.510 0.668 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702092 1272325275 /nfs/dbraw/zinc/32/52/75/1272325275.db2.gz KMBFZNVONQUEJC-GDBMZVCRSA-N 2 0 350.467 0.386 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1CCC[N@H+](C)C(C)C ZINC001575711173 1272347953 /nfs/dbraw/zinc/34/79/53/1272347953.db2.gz CGHOYPLLAVJIOE-CABCVRRESA-N 2 0 365.526 0.930 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH3+])C2)n1CCC[N@H+](C)C(C)C ZINC001575711175 1272349166 /nfs/dbraw/zinc/34/91/66/1272349166.db2.gz CGHOYPLLAVJIOE-HUUCEWRRSA-N 2 0 365.526 0.930 20 0 FCADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)CC[NH+](C)C ZINC001576024794 1272728090 /nfs/dbraw/zinc/72/80/90/1272728090.db2.gz PSZKWSOMUAVZHQ-ZFWWWQNUSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCC[NH+](C)C ZINC001576053723 1272786356 /nfs/dbraw/zinc/78/63/56/1272786356.db2.gz VJNGMMKGBYYPHS-OLZOCXBDSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH3+])CC1)[NH+](C)C ZINC001576066445 1272818458 /nfs/dbraw/zinc/81/84/58/1272818458.db2.gz UJRXNYKCSVIMOH-OLZOCXBDSA-N 2 0 370.523 0.058 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cn[nH]n1)CC2)[NH+](C)C ZINC001576182625 1272978521 /nfs/dbraw/zinc/97/85/21/1272978521.db2.gz APBIVDWTRWZFFA-JKSUJKDBSA-N 2 0 364.494 0.632 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576256056 1273040019 /nfs/dbraw/zinc/04/00/19/1273040019.db2.gz NKDJEDZBBBYHIY-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256062 1273040266 /nfs/dbraw/zinc/04/02/66/1273040266.db2.gz NRCHBYZZIQQMRK-KBPBESRZSA-N 2 0 370.461 0.286 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483959 1273327494 /nfs/dbraw/zinc/32/74/94/1273327494.db2.gz DKKWQMBFTBJGNO-WFASDCNBSA-N 2 0 360.466 0.591 20 0 FCADRP CC[C@@H](C(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576484912 1273328048 /nfs/dbraw/zinc/32/80/48/1273328048.db2.gz UUCGAZICVZMRQE-ZUEPYMLJSA-N 2 0 372.477 0.734 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576485141 1273329841 /nfs/dbraw/zinc/32/98/41/1273329841.db2.gz YHNNMBKCQXGDLC-JKSUJKDBSA-N 2 0 372.477 0.673 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486565 1273335152 /nfs/dbraw/zinc/33/51/52/1273335152.db2.gz XOEVFQARPKDYDD-HZPDHXFCSA-N 2 0 350.467 0.039 20 0 FCADRP CC[C@@H](C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576490245 1273343376 /nfs/dbraw/zinc/34/33/76/1273343376.db2.gz KOFFIXZZCDZLKF-HNNXBMFYSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491385 1273347434 /nfs/dbraw/zinc/34/74/34/1273347434.db2.gz YAVWBUYLHGMHQD-IUODEOHRSA-N 2 0 358.450 0.345 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492757 1273351510 /nfs/dbraw/zinc/35/15/10/1273351510.db2.gz STGKNJRXEYBSDT-DOMZBBRYSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492759 1273351846 /nfs/dbraw/zinc/35/18/46/1273351846.db2.gz STGKNJRXEYBSDT-SWLSCSKDSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576492724 1273352235 /nfs/dbraw/zinc/35/22/35/1273352235.db2.gz RNSYKDHOFFAAGI-CZUORRHYSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576498437 1273357950 /nfs/dbraw/zinc/35/79/50/1273357950.db2.gz AMNRUPMMULEONU-DZGCQCFKSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498155 1273358132 /nfs/dbraw/zinc/35/81/32/1273358132.db2.gz JTVHHTZEIGPFMT-CABCVRRESA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498750 1273359765 /nfs/dbraw/zinc/35/97/65/1273359765.db2.gz MRPCXCPIADDTLE-CVEARBPZSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499175 1273362415 /nfs/dbraw/zinc/36/24/15/1273362415.db2.gz PSKVUHPPUSYIIJ-XHDPSFHLSA-N 2 0 360.466 0.496 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576499550 1273362593 /nfs/dbraw/zinc/36/25/93/1273362593.db2.gz RXWMGEXULGPXLI-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501131 1273365784 /nfs/dbraw/zinc/36/57/84/1273365784.db2.gz VFZBQOSXBGFDFL-ZFWWWQNUSA-N 2 0 372.477 0.853 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576509210 1273381653 /nfs/dbraw/zinc/38/16/53/1273381653.db2.gz ZRJPYSLCVFJMSL-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576511932 1273387050 /nfs/dbraw/zinc/38/70/50/1273387050.db2.gz GMWNWJPUURGVPN-LZWOXQAQSA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576515148 1273397978 /nfs/dbraw/zinc/39/79/78/1273397978.db2.gz FERPSAUFPFPLJX-KCPJHIHWSA-N 2 0 358.450 0.283 20 0 FCADRP CC[C@H](C(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518207 1273402315 /nfs/dbraw/zinc/40/23/15/1273402315.db2.gz KAICGXNMSGRPFG-HZPDHXFCSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576520621 1273404584 /nfs/dbraw/zinc/40/45/84/1273404584.db2.gz QEAFCUKYZWWTIJ-NHYWBVRUSA-N 2 0 360.466 0.639 20 0 FCADRP CC1=CCN(c2nnc(C3CC[NH2+]CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001576563173 1273444675 /nfs/dbraw/zinc/44/46/75/1273444675.db2.gz UTWBEXMGBZTXRC-LJQANCHMSA-N 2 0 360.506 0.968 20 0 FCADRP CC[C@H](C(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCCOC)CC1)[NH+](C)C ZINC001576615662 1273483484 /nfs/dbraw/zinc/48/34/84/1273483484.db2.gz KTZAIAWNWJTJBX-QGZVFWFLSA-N 2 0 366.510 0.974 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC2(O)CC[NH2+]CC2)CC1 ZINC001576648026 1273506263 /nfs/dbraw/zinc/50/62/63/1273506263.db2.gz KXFXVDGHHZBVEN-IRXDYDNUSA-N 2 0 352.523 0.508 20 0 FCADRP C[C@H]1CN(C(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC[N@@H+]1CC(C)(C)O ZINC001576760018 1273632795 /nfs/dbraw/zinc/63/27/95/1273632795.db2.gz IBXNVUGNWKOXRR-KXBFYZLASA-N 2 0 353.507 0.575 20 0 FCADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576766345 1273643243 /nfs/dbraw/zinc/64/32/43/1273643243.db2.gz KJINWGWRPZJTLG-ZDUSSCGKSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794290 1273696091 /nfs/dbraw/zinc/69/60/91/1273696091.db2.gz DUELENXRHQOBGK-HZPDHXFCSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001576802178 1273707179 /nfs/dbraw/zinc/70/71/79/1273707179.db2.gz WKEZRFRBIGTWCJ-CABCVRRESA-N 2 0 354.495 0.982 20 0 FCADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806976 1273718302 /nfs/dbraw/zinc/71/83/02/1273718302.db2.gz QCBFNXBTGQGCLL-AWEZNQCLSA-N 2 0 372.477 0.722 20 0 FCADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576817601 1273738524 /nfs/dbraw/zinc/73/85/24/1273738524.db2.gz SLGCGWVTEFZXQR-AWEZNQCLSA-N 2 0 363.441 0.942 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCCC[C@@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576883699 1273867355 /nfs/dbraw/zinc/86/73/55/1273867355.db2.gz OTLNWKIIOQGVAS-MRXNPFEDSA-N 2 0 364.494 0.429 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902200 1273906251 /nfs/dbraw/zinc/90/62/51/1273906251.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 0 364.494 0.165 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902882 1273911618 /nfs/dbraw/zinc/91/16/18/1273911618.db2.gz GHEAOACJRZJPSZ-JKSUJKDBSA-N 2 0 362.478 0.181 20 0 FCADRP CCCC[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001577445468 1274411951 /nfs/dbraw/zinc/41/19/51/1274411951.db2.gz UTEVADRWUXPEAT-GJZGRUSLSA-N 2 0 363.510 0.746 20 0 FCADRP CCC[N@H+](CC)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)C1 ZINC001577507135 1274460279 /nfs/dbraw/zinc/46/02/79/1274460279.db2.gz FTJHPSSZORJFPW-HNNXBMFYSA-N 2 0 363.510 0.413 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH2+]CC1 ZINC001577536556 1274478979 /nfs/dbraw/zinc/47/89/79/1274478979.db2.gz ZDKGWYWLOBGXTB-INIZCTEOSA-N 2 0 358.494 0.963 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577546810 1274486077 /nfs/dbraw/zinc/48/60/77/1274486077.db2.gz BGDHFLYUXNPBLA-UHFFFAOYSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577551460 1274491759 /nfs/dbraw/zinc/49/17/59/1274491759.db2.gz SKBPWIQJPDYRTM-OAHLLOKOSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577560628 1274508502 /nfs/dbraw/zinc/50/85/02/1274508502.db2.gz GXGZXGXDYJEYFZ-HNNXBMFYSA-N 2 0 360.466 0.578 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577561193 1274509436 /nfs/dbraw/zinc/50/94/36/1274509436.db2.gz SHSXPFFRJPEOTR-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567793 1274525405 /nfs/dbraw/zinc/52/54/05/1274525405.db2.gz HLIFAGJGMIUXGK-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573851 1274537474 /nfs/dbraw/zinc/53/74/74/1274537474.db2.gz FBECKGGSXJHCTM-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669151 1274693654 /nfs/dbraw/zinc/69/36/54/1274693654.db2.gz OWBWOQIQWHBMKN-XJKSGUPXSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577673008 1274703093 /nfs/dbraw/zinc/70/30/93/1274703093.db2.gz GBGZZZDGFDMKLO-OAHLLOKOSA-N 2 0 358.450 0.476 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673648 1274708559 /nfs/dbraw/zinc/70/85/59/1274708559.db2.gz SYCRDRTWMOXDGM-OAHLLOKOSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001577764262 1274848462 /nfs/dbraw/zinc/84/84/62/1274848462.db2.gz WCGNTBWDHBSCOE-KFWWJZLASA-N 2 0 361.494 0.103 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577780765 1274875791 /nfs/dbraw/zinc/87/57/91/1274875791.db2.gz FMZUDZIUQXPRSJ-KGLIPLIRSA-N 2 0 372.477 0.803 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849833 1274987272 /nfs/dbraw/zinc/98/72/72/1274987272.db2.gz ZWZZZYIHYJSZKD-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577852565 1274996433 /nfs/dbraw/zinc/99/64/33/1274996433.db2.gz USERMDIVQCNWLD-LRDDRELGSA-N 2 0 372.477 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852237 1274997700 /nfs/dbraw/zinc/99/77/00/1274997700.db2.gz MSWHRHIIPPVSQV-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577859458 1275017724 /nfs/dbraw/zinc/01/77/24/1275017724.db2.gz IBWYHPSZGSIDRE-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862455 1275028411 /nfs/dbraw/zinc/02/84/11/1275028411.db2.gz CCXQIRQETKUSIU-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866351 1275043193 /nfs/dbraw/zinc/04/31/93/1275043193.db2.gz FKUZTDQPMARUIJ-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577866141 1275044443 /nfs/dbraw/zinc/04/44/43/1275044443.db2.gz ASHCUFHWZWYKKQ-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577882375 1275080986 /nfs/dbraw/zinc/08/09/86/1275080986.db2.gz AZVTXCDHAFSROB-ZIAGYGMSSA-N 2 0 372.477 0.532 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577885498 1275089703 /nfs/dbraw/zinc/08/97/03/1275089703.db2.gz FEBONTZRVMBQNB-TZMCWYRMSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577888818 1275097026 /nfs/dbraw/zinc/09/70/26/1275097026.db2.gz XKUKPPIXKSXDJE-GOSISDBHSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577888901 1275097854 /nfs/dbraw/zinc/09/78/54/1275097854.db2.gz ZOTBRGLUYONAHP-QWHCGFSZSA-N 2 0 360.466 0.721 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892543 1275102794 /nfs/dbraw/zinc/10/27/94/1275102794.db2.gz PVRSZRISJMFXGZ-KBPBESRZSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577895116 1275105220 /nfs/dbraw/zinc/10/52/20/1275105220.db2.gz AZVJQQFBALKAIW-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895876 1275107733 /nfs/dbraw/zinc/10/77/33/1275107733.db2.gz RPHIQXMKDNQVQK-HDJSIYSDSA-N 2 0 372.477 0.641 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577898748 1275110455 /nfs/dbraw/zinc/11/04/55/1275110455.db2.gz GZCJZBHJTWWJHU-ZDUSSCGKSA-N 2 0 364.429 0.234 20 0 FCADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1-c1nn[nH]n1 ZINC001578004168 1275263277 /nfs/dbraw/zinc/26/32/77/1275263277.db2.gz BBIYLZLWDILITN-UHFFFAOYSA-N 2 0 357.462 0.901 20 0 FCADRP CCOC1CC(C[NH2+]Cc2cc(C3C[NH2+]C3)no2)(N2CCOCC2)C1 ZINC001578087261 1275389355 /nfs/dbraw/zinc/38/93/55/1275389355.db2.gz HGZULQQPPUSJML-UHFFFAOYSA-N 2 0 350.463 0.721 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001578109728 1275410997 /nfs/dbraw/zinc/41/09/97/1275410997.db2.gz FYGOIQKADHOQOP-UHFFFAOYSA-N 2 0 372.477 0.594 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC001578151496 1275450899 /nfs/dbraw/zinc/45/08/99/1275450899.db2.gz ODJUFTMXXRBELX-QLFBSQMISA-N 2 0 372.510 0.654 20 0 FCADRP CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001578206093 1275495468 /nfs/dbraw/zinc/49/54/68/1275495468.db2.gz AGPZGEJYWPAWQU-MRXNPFEDSA-N 2 0 359.536 0.735 20 0 FCADRP CCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[N@H+](C)CCC[NH3+] ZINC001578304925 1275640525 /nfs/dbraw/zinc/64/05/25/1275640525.db2.gz FRSXOUXEHYTSJL-AWEZNQCLSA-N 2 0 351.499 0.178 20 0 FCADRP C[NH+](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1)c1ccco1 ZINC001578409040 1275780754 /nfs/dbraw/zinc/78/07/54/1275780754.db2.gz SRBFMIVNIDUBNB-KGLIPLIRSA-N 2 0 373.461 0.535 20 0 FCADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412497 1275783475 /nfs/dbraw/zinc/78/34/75/1275783475.db2.gz OBQOKZYGEZVDEZ-IRXDYDNUSA-N 2 0 352.523 0.759 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2CC3(C2)C[C@@H]([NH3+])CCS3)CC1 ZINC001578412904 1275784543 /nfs/dbraw/zinc/78/45/43/1275784543.db2.gz CCUVXYJDGGYCGZ-UUCFBXCCSA-N 2 0 354.520 0.222 20 0 FCADRP CC[C@@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001578418089 1275786559 /nfs/dbraw/zinc/78/65/59/1275786559.db2.gz HPFGRJBCYCIOEC-HNNXBMFYSA-N 2 0 372.477 0.817 20 0 FCADRP C[NH+](C)CCOCCn1c(C2CCC2)nnc1N1CCO[C@H](C[NH3+])C1 ZINC001578419421 1275787754 /nfs/dbraw/zinc/78/77/54/1275787754.db2.gz RCIQDVUOBJRTEJ-OAHLLOKOSA-N 2 0 352.483 0.288 20 0 FCADRP CN(C)Cc1nc(CNC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)co1 ZINC001578421035 1275789948 /nfs/dbraw/zinc/78/99/48/1275789948.db2.gz ZRZKWZDHNZTENW-CQSZACIVSA-N 2 0 357.414 0.878 20 0 FCADRP CC[C@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578469416 1275881468 /nfs/dbraw/zinc/88/14/68/1275881468.db2.gz IHVBSSUVXSQSEL-CRAIPNDOSA-N 2 0 372.477 0.674 20 0 FCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC001578472001 1275883751 /nfs/dbraw/zinc/88/37/51/1275883751.db2.gz YKTNDPLVJRJKID-UHFFFAOYSA-N 2 0 359.518 0.168 20 0 FCADRP CN(C[C@@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578525967 1275959891 /nfs/dbraw/zinc/95/98/91/1275959891.db2.gz VQRCRWYKGQJOMZ-AFIMGQEJSA-N 2 0 364.494 0.022 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529657 1275961886 /nfs/dbraw/zinc/96/18/86/1275961886.db2.gz WXJRTFUKHRZWRR-CABCVRRESA-N 2 0 351.495 0.323 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529659 1275962486 /nfs/dbraw/zinc/96/24/86/1275962486.db2.gz WXJRTFUKHRZWRR-HUUCEWRRSA-N 2 0 351.495 0.323 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]([NH3+])Cc3ccncc3)ccn2)CC1 ZINC001578536505 1275964682 /nfs/dbraw/zinc/96/46/82/1275964682.db2.gz WXYAOJCIFVZJQR-KRWDZBQOSA-N 2 0 354.458 0.415 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001578533578 1275965252 /nfs/dbraw/zinc/96/52/52/1275965252.db2.gz OCAJWIUULYETOO-APWZRJJASA-N 2 0 352.523 0.759 20 0 FCADRP C[NH2+][C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)C1 ZINC001578604384 1276036508 /nfs/dbraw/zinc/03/65/08/1276036508.db2.gz JCCBMNXCQNFEEZ-JKSUJKDBSA-N 2 0 366.510 0.896 20 0 FCADRP C[NH2+]CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001578721057 1276194144 /nfs/dbraw/zinc/19/41/44/1276194144.db2.gz LYXWGIUSFOKALV-UHFFFAOYSA-N 2 0 361.494 0.266 20 0 FCADRP COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784194 1276265242 /nfs/dbraw/zinc/26/52/42/1276265242.db2.gz RYSUIHXIQDNEKH-MXYBEHONSA-N 2 0 351.403 0.089 20 0 FCADRP COC(=O)c1cnc([C@@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)s1 ZINC001578883197 1276414182 /nfs/dbraw/zinc/41/41/82/1276414182.db2.gz QHDGGKPVVAVPHO-GFCCVEGCSA-N 2 0 352.460 0.541 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578970998 1276516440 /nfs/dbraw/zinc/51/64/40/1276516440.db2.gz QCTFBTNDNTVSGH-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC[NH+](C)C ZINC001578972914 1276517741 /nfs/dbraw/zinc/51/77/41/1276517741.db2.gz DUJDUEWAUVJIEP-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578973537 1276520959 /nfs/dbraw/zinc/52/09/59/1276520959.db2.gz RWZNOOJXIKACPL-GASCZTMLSA-N 2 0 369.473 0.945 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001578974380 1276522196 /nfs/dbraw/zinc/52/21/96/1276522196.db2.gz NAESRZMGKJMSIG-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578976521 1276527448 /nfs/dbraw/zinc/52/74/48/1276527448.db2.gz CHNKDFONWKHHOZ-UHFFFAOYSA-N 2 0 357.462 0.853 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001578976471 1276527863 /nfs/dbraw/zinc/52/78/63/1276527863.db2.gz BDQITFCPKNPYBC-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578977277 1276532605 /nfs/dbraw/zinc/53/26/05/1276532605.db2.gz KXMYWZDECWPJDS-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578980372 1276540002 /nfs/dbraw/zinc/54/00/02/1276540002.db2.gz IBVGTBRLPORNKN-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578982708 1276547108 /nfs/dbraw/zinc/54/71/08/1276547108.db2.gz ZOKKEJNLWWTNER-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001578988507 1276562503 /nfs/dbraw/zinc/56/25/03/1276562503.db2.gz YNYHOHXJTCKZMS-HALDLXJZSA-N 2 0 373.436 0.504 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578988494 1276562569 /nfs/dbraw/zinc/56/25/69/1276562569.db2.gz YEKSDKVEEXXAHU-BETUJISGSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001578990898 1276564909 /nfs/dbraw/zinc/56/49/09/1276564909.db2.gz KWALYVARLOGFGQ-DLBZAZTESA-N 2 0 371.489 0.922 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001578991709 1276565823 /nfs/dbraw/zinc/56/58/23/1276565823.db2.gz YLYPJTJWBSQNQH-VIKVFOODSA-N 2 0 356.434 0.154 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579009815 1276583790 /nfs/dbraw/zinc/58/37/90/1276583790.db2.gz RKXRTXLNRMTPJE-TXEJJXNPSA-N 2 0 356.434 0.227 20 0 FCADRP COCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001579019262 1276598282 /nfs/dbraw/zinc/59/82/82/1276598282.db2.gz NMAXJJPUTMIMGL-OAGGEKHMSA-N 2 0 366.510 0.676 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH3+])C[C@@H]1C ZINC001579038373 1276622031 /nfs/dbraw/zinc/62/20/31/1276622031.db2.gz GOAQXHMVZPYYEP-CABCVRRESA-N 2 0 374.493 0.487 20 0 FCADRP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579131558 1276822884 /nfs/dbraw/zinc/82/28/84/1276822884.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 2 0 357.462 0.709 20 0 FCADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579133648 1276834281 /nfs/dbraw/zinc/83/42/81/1276834281.db2.gz ZQEFPFRQQQQVRW-MRXNPFEDSA-N 2 0 357.462 0.709 20 0 FCADRP CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168722 1276921332 /nfs/dbraw/zinc/92/13/32/1276921332.db2.gz IVJQJPZLXPKQPY-CZUORRHYSA-N 2 0 370.461 0.831 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579261407 1277059184 /nfs/dbraw/zinc/05/91/84/1277059184.db2.gz PZVXVWHRDDVGSZ-RDJZCZTQSA-N 2 0 369.473 0.994 20 0 FCADRP 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 ZINC001713160422 1287267687 /nfs/dbraw/zinc/26/76/87/1287267687.db2.gz KZHBFORWLGJNFF-KBUPBQIOSA-N 2 0 362.478 0.542 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323552 1277140603 /nfs/dbraw/zinc/14/06/03/1277140603.db2.gz VZVBELOADURVGA-GTPINHCMSA-N 2 0 369.473 0.897 20 0 FCADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323385 1277140648 /nfs/dbraw/zinc/14/06/48/1277140648.db2.gz UMQCKHGDQVESLT-UHFFFAOYSA-N 2 0 370.461 0.427 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326156 1277150073 /nfs/dbraw/zinc/15/00/73/1277150073.db2.gz MKOZKXGZXDJCQD-SCLBCKFNSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579326238 1277150397 /nfs/dbraw/zinc/15/03/97/1277150397.db2.gz IKRNJQWXCCTITR-IUODEOHRSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326968 1277151779 /nfs/dbraw/zinc/15/17/79/1277151779.db2.gz NJHOPNUITNHSMT-GOEBONIOSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579326809 1277152318 /nfs/dbraw/zinc/15/23/18/1277152318.db2.gz MQPRWESWYBGUEV-KBPBESRZSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327511 1277154318 /nfs/dbraw/zinc/15/43/18/1277154318.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579334118 1277170825 /nfs/dbraw/zinc/17/08/25/1277170825.db2.gz CLKNHNXXEOLJKZ-INIZCTEOSA-N 2 0 355.446 0.366 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334159 1277170993 /nfs/dbraw/zinc/17/09/93/1277170993.db2.gz DGQLFFBNSXKCCD-CQSZACIVSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335707 1277178087 /nfs/dbraw/zinc/17/80/87/1277178087.db2.gz UFHMQHVBGUIEFN-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001579340026 1277185680 /nfs/dbraw/zinc/18/56/80/1277185680.db2.gz PJESKYFLNFPHPP-GFCCVEGCSA-N 2 0 363.491 0.818 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001579343826 1277192948 /nfs/dbraw/zinc/19/29/48/1277192948.db2.gz KYKKWSOEHBKJLD-VNHYZAJKSA-N 2 0 356.496 0.010 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579345240 1277196336 /nfs/dbraw/zinc/19/63/36/1277196336.db2.gz KFPSWJKUYRMSGW-OAHLLOKOSA-N 2 0 369.473 0.757 20 0 FCADRP CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)C1CC[NH2+]CC1)C2 ZINC001579347586 1277201361 /nfs/dbraw/zinc/20/13/61/1277201361.db2.gz HBWKOHAJNMAVCL-KRWDZBQOSA-N 2 0 353.488 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347315 1277201419 /nfs/dbraw/zinc/20/14/19/1277201419.db2.gz AXLMUKBESBEMHM-IHRRRGAJSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353124 1277209504 /nfs/dbraw/zinc/20/95/04/1277209504.db2.gz DWCZXHNDIPJZJV-CZUORRHYSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354286 1277217104 /nfs/dbraw/zinc/21/71/04/1277217104.db2.gz YCURQHMLKIACMB-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359142 1277231346 /nfs/dbraw/zinc/23/13/46/1277231346.db2.gz OWOZQQBMZFBPIL-WOMSROEHSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359519 1277232856 /nfs/dbraw/zinc/23/28/56/1277232856.db2.gz WMKRRXDAWYMWCT-BDVYOWHSSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359691 1277233510 /nfs/dbraw/zinc/23/35/10/1277233510.db2.gz ZWRWOPXWVCQLLN-OAHLLOKOSA-N 2 0 370.461 0.476 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579363203 1277241611 /nfs/dbraw/zinc/24/16/11/1277241611.db2.gz XXRDTLXPRRGNJT-HYVNUMGLSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363112 1277242438 /nfs/dbraw/zinc/24/24/38/1277242438.db2.gz WCZXGOGHGVFPIV-IIAWOOMASA-N 2 0 373.436 0.837 20 0 FCADRP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001579404429 1277286306 /nfs/dbraw/zinc/28/63/06/1277286306.db2.gz LRHBMNLJYFDQRI-ZBFHGGJFSA-N 2 0 374.493 0.327 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CC[NH2+]1 ZINC001579444367 1277331249 /nfs/dbraw/zinc/33/12/49/1277331249.db2.gz IHEGDIGMWXMIKR-CZUORRHYSA-N 2 0 358.494 0.817 20 0 FCADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cnn1C ZINC001579529472 1277493184 /nfs/dbraw/zinc/49/31/84/1277493184.db2.gz IQYQEMSYPRYVND-ZDUSSCGKSA-N 2 0 350.467 0.156 20 0 FCADRP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015151 1277991303 /nfs/dbraw/zinc/99/13/03/1277991303.db2.gz NQNHZEMBXOBXIW-OCCSQVGLSA-N 2 0 373.461 0.421 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089130 1278003715 /nfs/dbraw/zinc/00/37/15/1278003715.db2.gz LBICLJLDKXZBKG-IAGOWNOFSA-N 2 0 356.470 0.610 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580277273 1278070952 /nfs/dbraw/zinc/07/09/52/1278070952.db2.gz KFZAJAVPJRHYSJ-RYUDHWBXSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCC[NH+](C)C ZINC001580277957 1278073795 /nfs/dbraw/zinc/07/37/95/1278073795.db2.gz ZRBNAACZDRRWJC-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580278773 1278075784 /nfs/dbraw/zinc/07/57/84/1278075784.db2.gz FVPFFXGSYPGAAM-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940503 1279148076 /nfs/dbraw/zinc/14/80/76/1279148076.db2.gz AIVSVAPSDWDLNG-OCCSQVGLSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942758 1279151117 /nfs/dbraw/zinc/15/11/17/1279151117.db2.gz ZPEPSLDNBNZXKR-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942674 1279151766 /nfs/dbraw/zinc/15/17/66/1279151766.db2.gz YREDWMCVHMKDKF-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959881 1279164387 /nfs/dbraw/zinc/16/43/87/1279164387.db2.gz BGHHZXDLGSGPEZ-ZDUSSCGKSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CCC(NC(=O)C[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962427 1279166218 /nfs/dbraw/zinc/16/62/18/1279166218.db2.gz UXGCXEISNTWCHT-UHFFFAOYSA-N 2 0 370.461 0.751 20 0 FCADRP Cc1cc(N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968031 1279168983 /nfs/dbraw/zinc/16/89/83/1279168983.db2.gz GLNISPDRMRZPMP-AWEZNQCLSA-N 2 0 370.461 0.561 20 0 FCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977801 1279177320 /nfs/dbraw/zinc/17/73/20/1279177320.db2.gz QCWRBEPOILXYHV-HALDLXJZSA-N 2 0 368.445 0.217 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987085 1279183438 /nfs/dbraw/zinc/18/34/38/1279183438.db2.gz FRNBHZALFLZFOM-GFCCVEGCSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994162 1279200649 /nfs/dbraw/zinc/20/06/49/1279200649.db2.gz QPBSSLICFIDLGO-CJNGLKHVSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994163 1279201698 /nfs/dbraw/zinc/20/16/98/1279201698.db2.gz QPBSSLICFIDLGO-CZUORRHYSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995054 1279205563 /nfs/dbraw/zinc/20/55/63/1279205563.db2.gz WMBYGDBCQBXGDK-WFASDCNBSA-N 2 0 360.466 0.495 20 0 FCADRP Cc1cc(NC2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002010 1279217264 /nfs/dbraw/zinc/21/72/64/1279217264.db2.gz MFRPGXLMCGKHQW-ZUEPYMLJSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008670 1279233059 /nfs/dbraw/zinc/23/30/59/1279233059.db2.gz NOLPTLBXEFFPMP-OAHLLOKOSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008551 1279233087 /nfs/dbraw/zinc/23/30/87/1279233087.db2.gz LPAAQSWMGKQQBK-WBMJQRKESA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NC[C@@](C)(NC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010152 1279235469 /nfs/dbraw/zinc/23/54/69/1279235469.db2.gz GIGMESCAWATGME-GOSISDBHSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013111 1279239475 /nfs/dbraw/zinc/23/94/75/1279239475.db2.gz JBWZDDJLLHEEKW-ZDUSSCGKSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018798 1279250532 /nfs/dbraw/zinc/25/05/32/1279250532.db2.gz BPPOUJWFHFKCCR-ROKHWSDSSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022438 1279252737 /nfs/dbraw/zinc/25/27/37/1279252737.db2.gz ZCCFHVFBPIBKNM-ZDUSSCGKSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022437 1279253709 /nfs/dbraw/zinc/25/37/09/1279253709.db2.gz ZCCFHVFBPIBKNM-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026506 1279259907 /nfs/dbraw/zinc/25/99/07/1279259907.db2.gz LVXHFGYIMBDLNL-STQMWFEESA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027085 1279261742 /nfs/dbraw/zinc/26/17/42/1279261742.db2.gz LKVQSCVGVMPUPI-ZDUSSCGKSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027846 1279263402 /nfs/dbraw/zinc/26/34/02/1279263402.db2.gz YXQCKMKPRPNPFS-INIZCTEOSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028452 1279264419 /nfs/dbraw/zinc/26/44/19/1279264419.db2.gz YLKPLVDDUVDGLQ-UHFFFAOYSA-N 2 0 374.493 0.840 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031904 1279269217 /nfs/dbraw/zinc/26/92/17/1279269217.db2.gz MQEQBUWQJHYHTA-YPMHNXCESA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038455 1279275194 /nfs/dbraw/zinc/27/51/94/1279275194.db2.gz MFRPGXLMCGKHQW-XJKCOSOUSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039277 1279277614 /nfs/dbraw/zinc/27/76/14/1279277614.db2.gz RKQWYROUSCRJIV-XEZPLFJOSA-N 2 0 372.477 0.637 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039410 1279277917 /nfs/dbraw/zinc/27/79/17/1279277917.db2.gz YBZQUUHQWKKXMH-JOCQHMNTSA-N 2 0 368.445 0.147 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001715227913 1287346616 /nfs/dbraw/zinc/34/66/16/1287346616.db2.gz GWKCZFCABQQEIP-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@@H](CCNC(=O)Cn1ccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603380474 1287364410 /nfs/dbraw/zinc/36/44/10/1287364410.db2.gz MRBHFXLNDKSACG-CQSZACIVSA-N 2 0 369.433 0.523 20 0 FCADRP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001603459666 1287377633 /nfs/dbraw/zinc/37/76/33/1287377633.db2.gz XJLAVDUJCNFQEZ-QWHCGFSZSA-N 2 0 372.477 0.863 20 0 FCADRP CCNC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717002443 1287400163 /nfs/dbraw/zinc/40/01/63/1287400163.db2.gz UJRXMXKHKHOUMW-QBPKDAKJSA-N 2 0 352.523 0.975 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100937 1281058474 /nfs/dbraw/zinc/05/84/74/1281058474.db2.gz WCKORGMCOAWZJG-HNNXBMFYSA-N 2 0 369.473 0.901 20 0 FCADRP O=C(N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582210403 1281190733 /nfs/dbraw/zinc/19/07/33/1281190733.db2.gz BLXWAAPHMLLGFT-ZDUSSCGKSA-N 2 0 368.445 0.040 20 0 FCADRP O=C(N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582212378 1281194120 /nfs/dbraw/zinc/19/41/20/1281194120.db2.gz IEEXANZMBPDQTA-CYBMUJFWSA-N 2 0 368.445 0.182 20 0 FCADRP O=C(NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)C12CC[NH+](CC1)C2 ZINC001582388137 1281451295 /nfs/dbraw/zinc/45/12/95/1281451295.db2.gz WQGMFEWBYGRQPJ-UHFFFAOYSA-N 2 0 367.457 0.701 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001589716719 1282957712 /nfs/dbraw/zinc/95/77/12/1282957712.db2.gz LGAYUEOAZZCHAW-CZUORRHYSA-N 2 0 370.461 0.569 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589848835 1283082917 /nfs/dbraw/zinc/08/29/17/1283082917.db2.gz YMWRZMOPDWKTSI-ZDUSSCGKSA-N 2 0 372.477 0.820 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001680808655 1283445858 /nfs/dbraw/zinc/44/58/58/1283445858.db2.gz YJNWPHYKGCAUQG-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(=O)[nH]n1 ZINC001681411229 1283494012 /nfs/dbraw/zinc/49/40/12/1283494012.db2.gz FRFCOVKPWWFUEP-OAHLLOKOSA-N 2 0 350.467 0.740 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733021 1283768836 /nfs/dbraw/zinc/76/88/36/1283768836.db2.gz KKYVRWKMHHAMIR-APHBUQMISA-N 2 0 370.461 0.642 20 0 FCADRP CC[NH2+]CCNC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590745005 1283798030 /nfs/dbraw/zinc/79/80/30/1283798030.db2.gz CQGROHMHQAWZDO-UHFFFAOYSA-N 2 0 372.477 0.740 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001590866246 1283936680 /nfs/dbraw/zinc/93/66/80/1283936680.db2.gz DBWANNMJDCTXRF-CZUORRHYSA-N 2 0 372.477 0.674 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001683308306 1283939300 /nfs/dbraw/zinc/93/93/00/1283939300.db2.gz PVQCVHQYJAHATN-ARFHVFGLSA-N 2 0 366.506 0.012 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070893 1284131781 /nfs/dbraw/zinc/13/17/81/1284131781.db2.gz GXDRYHVXXIBVHS-LBPRGKRZSA-N 2 0 363.491 0.818 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591171213 1284254859 /nfs/dbraw/zinc/25/48/59/1284254859.db2.gz AHQKQCIHFIEHKD-ZDUSSCGKSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175693 1284264921 /nfs/dbraw/zinc/26/49/21/1284264921.db2.gz RNUJGYVZSFFZID-XIRDDKMYSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175340 1284267618 /nfs/dbraw/zinc/26/76/18/1284267618.db2.gz LOOKPUWGVVKOMV-RGDDUWESSA-N 2 0 355.446 0.580 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175594 1284267794 /nfs/dbraw/zinc/26/77/94/1284267794.db2.gz QDSJZTOIMLZXSU-QWHCGFSZSA-N 2 0 356.434 0.156 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591176645 1284269262 /nfs/dbraw/zinc/26/92/62/1284269262.db2.gz SCPYMBXNVQHZCQ-OAHLLOKOSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187318 1284299528 /nfs/dbraw/zinc/29/95/28/1284299528.db2.gz NCQSRDGGNGRSGY-YPQKKHBXSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001591192756 1284310769 /nfs/dbraw/zinc/31/07/69/1284310769.db2.gz HZBJIHFNXYNXGR-UHFFFAOYSA-N 2 0 369.477 0.584 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001604673749 1287723480 /nfs/dbraw/zinc/72/34/80/1287723480.db2.gz RKWIYKZXYLQHII-JOCQHMNTSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001604672863 1287723839 /nfs/dbraw/zinc/72/38/39/1287723839.db2.gz BQCSFFSWNHENSL-TXEJJXNPSA-N 2 0 356.434 0.227 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604681384 1287728772 /nfs/dbraw/zinc/72/87/72/1287728772.db2.gz XFCLHWGHNZRBMP-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591760738 1284889503 /nfs/dbraw/zinc/88/95/03/1284889503.db2.gz ZWEBVTAWEKFWCY-CYBMUJFWSA-N 2 0 358.450 0.431 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)CCC1 ZINC001719106862 1287749241 /nfs/dbraw/zinc/74/92/41/1287749241.db2.gz SLNBFYKUKGLPOM-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP Cc1cc(NCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049192 1285095742 /nfs/dbraw/zinc/09/57/42/1285095742.db2.gz KGMQOLSDXWJLAC-CJNGLKHVSA-N 2 0 370.461 0.537 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001604849232 1287797050 /nfs/dbraw/zinc/79/70/50/1287797050.db2.gz GBOCUDNOWGEOMH-BZUAXINKSA-N 2 0 355.446 0.555 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001592717265 1285609507 /nfs/dbraw/zinc/60/95/07/1285609507.db2.gz IKQYSODMAWAXHL-UHFFFAOYSA-N 2 0 356.434 0.572 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001604849409 1287797868 /nfs/dbraw/zinc/79/78/68/1287797868.db2.gz LRTGGHCCSCDCQU-ZDUSSCGKSA-N 2 0 358.450 0.286 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001702419201 1285661597 /nfs/dbraw/zinc/66/15/97/1285661597.db2.gz DMTYQFAHZAXNBG-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(CCC[NH+]1CCCC1)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592837173 1285747102 /nfs/dbraw/zinc/74/71/02/1285747102.db2.gz BIDVULYAGSXMRG-UPHRSURJSA-N 2 0 370.461 0.644 20 0 FCADRP CN(CCC[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)CC[NH+](C)C ZINC001609267801 1289031443 /nfs/dbraw/zinc/03/14/43/1289031443.db2.gz NNMIOLZLEQFZIW-QGZVFWFLSA-N 2 0 361.494 0.715 20 0 FCADRP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001593075800 1285971804 /nfs/dbraw/zinc/97/18/04/1285971804.db2.gz DRFHAMQFXXUBMA-CJNGLKHVSA-N 2 0 370.461 0.619 20 0 FCADRP O=C(NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001593084946 1285985107 /nfs/dbraw/zinc/98/51/07/1285985107.db2.gz LDVQGUIMIGYFFM-UHFFFAOYSA-N 2 0 359.409 0.307 20 0 FCADRP O[C@@H](C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C[NH+]1CCCC1 ZINC001593503778 1286183291 /nfs/dbraw/zinc/18/32/91/1286183291.db2.gz AOYAPHQNYOGYFD-INIZCTEOSA-N 2 0 372.477 0.277 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001593507933 1286186251 /nfs/dbraw/zinc/18/62/51/1286186251.db2.gz LYMWYLMGMGEWNR-YQQAZPJKSA-N 2 0 358.446 0.680 20 0 FCADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593505978 1286187131 /nfs/dbraw/zinc/18/71/31/1286187131.db2.gz UVEHGBYOCDUVTC-KDOFPFPSSA-N 2 0 372.473 0.991 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001735945024 1289067298 /nfs/dbraw/zinc/06/72/98/1289067298.db2.gz JLJFNZPISFSVGZ-IKGGRYGDSA-N 2 0 368.522 0.279 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001735992383 1289113776 /nfs/dbraw/zinc/11/37/76/1289113776.db2.gz AGDUVKMNBQIHMM-QBPKDAKJSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001707225797 1287073359 /nfs/dbraw/zinc/07/33/59/1287073359.db2.gz ZKOSDQPEGDBLGC-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001710273146 1287169534 /nfs/dbraw/zinc/16/95/34/1287169534.db2.gz VELSYUVOEQPPKZ-LSDHHAIUSA-N 2 0 365.526 0.897 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001605436190 1287962643 /nfs/dbraw/zinc/96/26/43/1287962643.db2.gz VLSDTDKSCITYMR-GFCCVEGCSA-N 2 0 360.466 0.578 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC001719284904 1288027705 /nfs/dbraw/zinc/02/77/05/1288027705.db2.gz KOSSPDVDZYHTER-IKGGRYGDSA-N 2 0 368.522 0.281 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732813 1288065209 /nfs/dbraw/zinc/06/52/09/1288065209.db2.gz VRISCYYGSFDJOT-KBPBESRZSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605739070 1288068489 /nfs/dbraw/zinc/06/84/89/1288068489.db2.gz ACXCECOGWOOOAB-UHFFFAOYSA-N 2 0 365.445 0.751 20 0 FCADRP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001606780930 1288512416 /nfs/dbraw/zinc/51/24/16/1288512416.db2.gz RCWNTSOVBOPGDB-SWLSCSKDSA-N 2 0 356.434 0.229 20 0 FCADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NCC ZINC001731865182 1288568951 /nfs/dbraw/zinc/56/89/51/1288568951.db2.gz WFHDMIBFVPAXKN-RBSFLKMASA-N 2 0 369.510 0.389 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001735722034 1288799136 /nfs/dbraw/zinc/79/91/36/1288799136.db2.gz OVMPSMPNZAJXEO-LZLYRXPVSA-N 2 0 352.523 0.974 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001692087116 1289395077 /nfs/dbraw/zinc/39/50/77/1289395077.db2.gz ZPRXWIUJMRBKGR-FGTMMUONSA-N 2 0 353.507 0.650 20 0 FCADRP CO[C@@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001692130295 1289402021 /nfs/dbraw/zinc/40/20/21/1289402021.db2.gz HOAREAJSCJZXSK-OUCADQQQSA-N 2 0 351.451 0.263 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001692281143 1289441314 /nfs/dbraw/zinc/44/13/14/1289441314.db2.gz STALAYDLZGKOOZ-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001692278260 1289441462 /nfs/dbraw/zinc/44/14/62/1289441462.db2.gz ZVJZARGYGYLVTR-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001698747440 1289535018 /nfs/dbraw/zinc/53/50/18/1289535018.db2.gz DKWLKIAEGRGRAK-BFHYXJOUSA-N 2 0 369.510 0.293 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001699650612 1289559555 /nfs/dbraw/zinc/55/95/55/1289559555.db2.gz BBUYNEMWWRELJT-OWCLPIDISA-N 2 0 366.506 0.250 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H]3CCN(C(C)C)C3=O)CC2)CC[N@@H+]1C ZINC001699651812 1289560329 /nfs/dbraw/zinc/56/03/29/1289560329.db2.gz RWTSALNEFNWJRV-HRCADAONSA-N 2 0 350.507 0.964 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1OC ZINC001702319999 1290037065 /nfs/dbraw/zinc/03/70/65/1290037065.db2.gz IZMHEAARBZFRJS-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]32)C1 ZINC001757248009 1290750208 /nfs/dbraw/zinc/75/02/08/1290750208.db2.gz ZHEJBFNJSDEGET-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001649432712 1291148680 /nfs/dbraw/zinc/14/86/80/1291148680.db2.gz AJWARLMKPYUWFH-CABCVRRESA-N 2 0 367.494 0.130 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC001656044626 1291495886 /nfs/dbraw/zinc/49/58/86/1291495886.db2.gz IGOLXUCTJKNASV-HNNXBMFYSA-N 2 0 364.490 0.675 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001656575941 1291548600 /nfs/dbraw/zinc/54/86/00/1291548600.db2.gz KXLXSJDFPWQYGD-BPQIPLTHSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cccs3)C2)CC[N@@H+]1C ZINC001661426700 1291693815 /nfs/dbraw/zinc/69/38/15/1291693815.db2.gz JNZRGYFRSCSHHQ-IXYNUQLISA-N 2 0 364.515 0.941 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001661426565 1291694006 /nfs/dbraw/zinc/69/40/06/1291694006.db2.gz CUMNJDYFSOMFEQ-KBUPBQIOSA-N 2 0 357.520 0.388 20 0 FCADRP CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435681 1291965648 /nfs/dbraw/zinc/96/56/48/1291965648.db2.gz OOWMWZJFOAJDDR-RBSFLKMASA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782427 1292282068 /nfs/dbraw/zinc/28/20/68/1292282068.db2.gz JBQLVXNPQZWOPO-IRXDYDNUSA-N 2 0 355.527 0.016 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001679408582 1292303455 /nfs/dbraw/zinc/30/34/55/1292303455.db2.gz DETROLLMSQJOAP-SJLPKXTDSA-N 2 0 368.522 0.633 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001685620100 1292575386 /nfs/dbraw/zinc/57/53/86/1292575386.db2.gz USZYFSXVYVNSKF-KURKYZTESA-N 2 0 368.522 0.510 20 0 FCADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001689019076 1294568812 /nfs/dbraw/zinc/56/88/12/1294568812.db2.gz FIQJRHVQUUOUMT-YESZJQIVSA-N 2 0 366.506 0.204 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OCC ZINC001689068079 1294591048 /nfs/dbraw/zinc/59/10/48/1294591048.db2.gz GMXCSUYPDSNRIT-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689074597 1294596387 /nfs/dbraw/zinc/59/63/87/1294596387.db2.gz JOZYVKQZTYASNB-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689076102 1294597511 /nfs/dbraw/zinc/59/75/11/1294597511.db2.gz NMRQKJZIVQKLCV-NUJGCVRESA-N 2 0 368.522 0.435 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001689230112 1294688212 /nfs/dbraw/zinc/68/82/12/1294688212.db2.gz OCDDCIXMGUMYCS-OAGGEKHMSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001689245128 1294703361 /nfs/dbraw/zinc/70/33/61/1294703361.db2.gz OLBHPJDTZHOTJB-BRWVUGGUSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001689349547 1294766011 /nfs/dbraw/zinc/76/60/11/1294766011.db2.gz JTDDWIWNXCMDMG-XQJUWPJRSA-N 2 0 366.506 0.226 20 0 FCADRP COCCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690656969 1294879192 /nfs/dbraw/zinc/87/91/92/1294879192.db2.gz DBMNQVDDDOAJCM-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CN(C)c1cccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]1 ZINC001164748640 720946822 /nfs/dbraw/zinc/94/68/22/720946822.db2.gz CBHVFOUHMGSYCP-UHFFFAOYSA-N 2 0 358.446 0.990 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164766401 721075463 /nfs/dbraw/zinc/07/54/63/721075463.db2.gz KETJVTAKDSZUGX-DLBZAZTESA-N 2 0 367.501 0.857 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164765735 721165117 /nfs/dbraw/zinc/16/51/17/721165117.db2.gz IDYRALTXHANCFL-DOTOQJQBSA-N 2 0 353.474 0.814 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2CC[NH2+]C4)CC3)CC1 ZINC001164794461 721510668 /nfs/dbraw/zinc/51/06/68/721510668.db2.gz QAMMTPHCPHRUJK-UHFFFAOYSA-N 2 0 368.489 0.086 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070304053 837644876 /nfs/dbraw/zinc/64/48/76/837644876.db2.gz IFYGNAOKMJOYJV-CVEARBPZSA-N 2 0 350.467 0.139 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382735 837651119 /nfs/dbraw/zinc/65/11/19/837651119.db2.gz OQZARRIQECYNNU-NUJGCVRESA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001071062174 837721152 /nfs/dbraw/zinc/72/11/52/837721152.db2.gz OFLMFMDNSMAIEW-BJZITVGISA-N 2 0 353.507 0.837 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071098838 837732853 /nfs/dbraw/zinc/73/28/53/837732853.db2.gz LEGZIPHTZRPDMS-OIISXLGYSA-N 2 0 351.491 0.449 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101257481 844122660 /nfs/dbraw/zinc/12/26/60/844122660.db2.gz WMRQRVDNTVCFSI-RKVPGOIHSA-N 2 0 356.486 0.535 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272653 844127436 /nfs/dbraw/zinc/12/74/36/844127436.db2.gz WSGVUUSTLBPBQY-AYBZRNKSSA-N 2 0 352.523 0.879 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272601 844127884 /nfs/dbraw/zinc/12/78/84/844127884.db2.gz UBZDAMMKNSFNAS-AYBZRNKSSA-N 2 0 352.523 0.831 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101277656 844130222 /nfs/dbraw/zinc/13/02/22/844130222.db2.gz RYFQUFDQUNZWEX-MDZRGWNJSA-N 2 0 352.523 0.974 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@@]2(C)C1 ZINC001101351350 844154238 /nfs/dbraw/zinc/15/42/38/844154238.db2.gz DZMDCEVPCZPCIG-WBVHZDCISA-N 2 0 371.547 0.543 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351836 844155333 /nfs/dbraw/zinc/15/53/33/844155333.db2.gz NUYIPQMDUYERQP-QAPCUYQASA-N 2 0 353.511 0.426 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101418432 844179908 /nfs/dbraw/zinc/17/99/08/844179908.db2.gz QVZWKFCYFUTQLE-QAPCUYQASA-N 2 0 351.495 0.134 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001059678516 836639779 /nfs/dbraw/zinc/63/97/79/836639779.db2.gz VGFHRIIXUFAVOL-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461732 844192545 /nfs/dbraw/zinc/19/25/45/844192545.db2.gz QSSKLGUTIOLGIW-LMMKCTJWSA-N 2 0 353.507 0.772 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473337 844198476 /nfs/dbraw/zinc/19/84/76/844198476.db2.gz QOCYMOSRKNQKLC-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474279 844198902 /nfs/dbraw/zinc/19/89/02/844198902.db2.gz QVIDWPQOUIRMSC-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065212575 836823302 /nfs/dbraw/zinc/82/33/02/836823302.db2.gz QAJFGKHZRQRMKH-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999331 838205789 /nfs/dbraw/zinc/20/57/89/838205789.db2.gz NNASSQDASJTWRK-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2C)CC[N@@H+]1C ZINC001101983976 844361334 /nfs/dbraw/zinc/36/13/34/844361334.db2.gz TUACMRXQAXDKRY-WCXIOVBPSA-N 2 0 352.523 0.879 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102015723 844375922 /nfs/dbraw/zinc/37/59/22/844375922.db2.gz PEAREZUQABNRJQ-FMKPAKJESA-N 2 0 356.486 0.629 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001077505215 839003906 /nfs/dbraw/zinc/00/39/06/839003906.db2.gz UULMXWDUGJFWPA-BRWVUGGUSA-N 2 0 353.507 0.837 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047391 844394644 /nfs/dbraw/zinc/39/46/44/844394644.db2.gz FRKFHEMDSGGBGJ-QGPMSJSTSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047324 844394731 /nfs/dbraw/zinc/39/47/31/844394731.db2.gz CAQZXGRNLWHVPF-DDUZABMNSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046035 844394982 /nfs/dbraw/zinc/39/49/82/844394982.db2.gz IYDJUSWZSDRPIW-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102066482 844402598 /nfs/dbraw/zinc/40/25/98/844402598.db2.gz NOYNJQWXGXPPCX-RKVPGOIHSA-N 2 0 352.523 0.878 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077779170 839153154 /nfs/dbraw/zinc/15/31/54/839153154.db2.gz FYUHURIQWVYAAW-RCCFBDPRSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102089985 844408643 /nfs/dbraw/zinc/40/86/43/844408643.db2.gz WMYNCYRSGXPCBP-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077923802 839233502 /nfs/dbraw/zinc/23/35/02/839233502.db2.gz FGNSHTLYRZVOJY-KBAYOESNSA-N 2 0 353.507 0.695 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001078229818 839418651 /nfs/dbraw/zinc/41/86/51/839418651.db2.gz ZSKQBPDFVUBFCQ-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079273689 839503045 /nfs/dbraw/zinc/50/30/45/839503045.db2.gz LYSTTXLNWPWQCU-DLBZAZTESA-N 2 0 351.491 0.404 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273964 839504299 /nfs/dbraw/zinc/50/42/99/839504299.db2.gz YPLBODMJNPOKRR-IXDOHACOSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287149 844458409 /nfs/dbraw/zinc/45/84/09/844458409.db2.gz PKBZDQOVTFFURS-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080444688 839724879 /nfs/dbraw/zinc/72/48/79/839724879.db2.gz ZXBVIMSMCMCOSV-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320569 844466695 /nfs/dbraw/zinc/46/66/95/844466695.db2.gz IUMRSRARBDOPAJ-MGPQQGTHSA-N 2 0 369.428 0.562 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368221 844475806 /nfs/dbraw/zinc/47/58/06/844475806.db2.gz LLPWBTQPCIATKL-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366657 844476658 /nfs/dbraw/zinc/47/66/58/844476658.db2.gz MRMVQAWUFLZWCP-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375752 844480706 /nfs/dbraw/zinc/48/07/06/844480706.db2.gz ZRMQNIPZQPAXKD-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893523 840089299 /nfs/dbraw/zinc/08/92/99/840089299.db2.gz VDFILABFARAYRH-BRWVUGGUSA-N 2 0 351.491 0.857 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102475240 844516126 /nfs/dbraw/zinc/51/61/26/844516126.db2.gz FRMKYDIELXPXAI-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102473453 844515227 /nfs/dbraw/zinc/51/52/27/844515227.db2.gz ABCAVQIQUPIYKV-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102496409 844530856 /nfs/dbraw/zinc/53/08/56/844530856.db2.gz TXVBJVGHMURXBB-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001082522116 840448254 /nfs/dbraw/zinc/44/82/54/840448254.db2.gz STMKFABGHZGRGV-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082544823 840457883 /nfs/dbraw/zinc/45/78/83/840457883.db2.gz UEFCTWRBVUZYHF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513381 844544982 /nfs/dbraw/zinc/54/49/82/844544982.db2.gz ICNZMMPCOXFAII-RBSFLKMASA-N 2 0 363.449 0.673 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515224 844546484 /nfs/dbraw/zinc/54/64/84/844546484.db2.gz JLRATYNALSDXHY-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524870 844553698 /nfs/dbraw/zinc/55/36/98/844553698.db2.gz ATVNPSIFVFIGBB-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082863252 840587796 /nfs/dbraw/zinc/58/77/96/840587796.db2.gz WQHMMQTUKPDYTJ-BZUAXINKSA-N 2 0 369.531 0.344 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579927 844574128 /nfs/dbraw/zinc/57/41/28/844574128.db2.gz XOMLNXKLCIYKPB-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578270 844573690 /nfs/dbraw/zinc/57/36/90/844573690.db2.gz TVBANOOWBYECNU-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102600066 844590860 /nfs/dbraw/zinc/59/08/60/844590860.db2.gz KNDSRARNGXJPJP-BRWVUGGUSA-N 2 0 351.495 0.268 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102600917 844592806 /nfs/dbraw/zinc/59/28/06/844592806.db2.gz CBJGSFFWVJCFEM-HUUCEWRRSA-N 2 0 352.479 0.160 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460580 841028835 /nfs/dbraw/zinc/02/88/35/841028835.db2.gz NNASSQDASJTWRK-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083523239 841120993 /nfs/dbraw/zinc/12/09/93/841120993.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 2 0 351.491 0.591 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563400 841172751 /nfs/dbraw/zinc/17/27/51/841172751.db2.gz NQJCAQXJDWTGRK-SJORKVTESA-N 2 0 351.491 0.593 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001083750352 841393209 /nfs/dbraw/zinc/39/32/09/841393209.db2.gz RVDLJDHNKNHVJS-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781322 841428781 /nfs/dbraw/zinc/42/87/81/841428781.db2.gz BYJBTGJGBVRUKH-JQHSSLGASA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083833022 841477368 /nfs/dbraw/zinc/47/73/68/841477368.db2.gz FYUHURIQWVYAAW-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083908399 841555113 /nfs/dbraw/zinc/55/51/13/841555113.db2.gz AXBFBQBGWKHMPP-NXHRZFHOSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833534 861220109 /nfs/dbraw/zinc/22/01/09/861220109.db2.gz JQQRBMNVWLDYPI-DNVCBOLYSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC001275860080 861230847 /nfs/dbraw/zinc/23/08/47/861230847.db2.gz JGTKIDGTNOFXML-HDICACEKSA-N 2 0 350.507 0.334 20 0 FCADRP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC001084405194 841788562 /nfs/dbraw/zinc/78/85/62/841788562.db2.gz CADBLDSVFYSEOT-KBAYOESNSA-N 2 0 351.491 0.809 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001275941571 861262805 /nfs/dbraw/zinc/26/28/05/861262805.db2.gz MSSLTIGYDPHVCL-HNNXBMFYSA-N 2 0 350.507 0.729 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)C1=O ZINC001085333401 842078944 /nfs/dbraw/zinc/07/89/44/842078944.db2.gz OLCQIMDAKKITJI-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085332296 842079642 /nfs/dbraw/zinc/07/96/42/842079642.db2.gz RNNQFEPBRXMNEK-BZUAXINKSA-N 2 0 351.495 0.513 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001086371302 842128460 /nfs/dbraw/zinc/12/84/60/842128460.db2.gz ANSSUGGADOJDGS-LUKYLMHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC001086698564 842153615 /nfs/dbraw/zinc/15/36/15/842153615.db2.gz MTVHKZDPXZOLMF-HPBDAGMYSA-N 2 0 353.507 0.600 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087058809 842253798 /nfs/dbraw/zinc/25/37/98/842253798.db2.gz CAFHLDNZZHLXSL-UKRRQHHQSA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087059594 842254882 /nfs/dbraw/zinc/25/48/82/842254882.db2.gz LQLWNTUKYKBKMD-BMFZPTHFSA-N 2 0 351.451 0.363 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087101026 842289918 /nfs/dbraw/zinc/28/99/18/842289918.db2.gz PTFDZYOJCSWEBQ-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087101380 842291385 /nfs/dbraw/zinc/29/13/85/842291385.db2.gz ILDSNSPAOIRJMN-ZIAGYGMSSA-N 2 0 353.492 0.587 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087711505 842411536 /nfs/dbraw/zinc/41/15/36/842411536.db2.gz IGHDKYHJRLEIFR-DLBZAZTESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087828238 842443203 /nfs/dbraw/zinc/44/32/03/842443203.db2.gz FFMUCHAYQSTHEO-IXDOHACOSA-N 2 0 371.547 0.732 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993117 842494380 /nfs/dbraw/zinc/49/43/80/842494380.db2.gz AAPCJKRRYWQLKS-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001088150603 842544701 /nfs/dbraw/zinc/54/47/01/842544701.db2.gz MHQKTFRWDKGXKL-SJORKVTESA-N 2 0 350.507 0.587 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212780 842563068 /nfs/dbraw/zinc/56/30/68/842563068.db2.gz PJMDPWVJJURIGH-RYRKJORJSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[NH+](CCO)C3)CC2)CC[N@@H+]1C ZINC001088234137 842566275 /nfs/dbraw/zinc/56/62/75/842566275.db2.gz JQJKHNIWNUGBKZ-BPQIPLTHSA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088577827 842616461 /nfs/dbraw/zinc/61/64/61/842616461.db2.gz QUYOTLMPXOMNCY-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091734967 843085557 /nfs/dbraw/zinc/08/55/57/843085557.db2.gz DHLDGSKZNQPZKA-DAYGRLMNSA-N 2 0 350.507 0.728 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071309 843153236 /nfs/dbraw/zinc/15/32/36/843153236.db2.gz PYTWKLQSCIZPIZ-APWZRJJASA-N 2 0 350.507 0.587 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070860 843153572 /nfs/dbraw/zinc/15/35/72/843153572.db2.gz AVXFYWWXJGLLMN-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001092275724 843175499 /nfs/dbraw/zinc/17/54/99/843175499.db2.gz MRFIHNSYWAJDRY-NUJGCVRESA-N 2 0 369.531 0.297 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001092620298 843254985 /nfs/dbraw/zinc/25/49/85/843254985.db2.gz AEEHCXNALLGZHW-KCYZZUKISA-N 2 0 350.507 0.632 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225610 843413328 /nfs/dbraw/zinc/41/33/28/843413328.db2.gz QAHUASNRWUWAKM-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093281731 843421020 /nfs/dbraw/zinc/42/10/20/843421020.db2.gz UHIMOASVMVUJTL-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001094012081 843505211 /nfs/dbraw/zinc/50/52/11/843505211.db2.gz DQGFTKNTKBGAIM-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094043987 843507588 /nfs/dbraw/zinc/50/75/88/843507588.db2.gz HCTXTHXCYKVTGK-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1)[NH+](C)C ZINC001094049483 843508431 /nfs/dbraw/zinc/50/84/31/843508431.db2.gz VWLWJHIKGYGGRH-MCIONIFRSA-N 2 0 353.467 0.740 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001094221060 843532866 /nfs/dbraw/zinc/53/28/66/843532866.db2.gz MUXXVMCQJNZPMN-BRWVUGGUSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094737730 843697321 /nfs/dbraw/zinc/69/73/21/843697321.db2.gz AFZFGPJSXJGLMO-HLLBOEOZSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCF)nn3)C2)CC[N@@H+]1C ZINC001098673597 843928078 /nfs/dbraw/zinc/92/80/78/843928078.db2.gz RXMZNPWEMKLTNE-FVQBIDKESA-N 2 0 352.458 0.841 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780875 844646644 /nfs/dbraw/zinc/64/66/44/844646644.db2.gz SDGUIRPPTAVEHZ-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102977060 844676820 /nfs/dbraw/zinc/67/68/20/844676820.db2.gz KZTQNCKMGPAREV-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994125 844681784 /nfs/dbraw/zinc/68/17/84/844681784.db2.gz RLCGIJAEJGCXED-DJIMGWMZSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090542 844698714 /nfs/dbraw/zinc/69/87/14/844698714.db2.gz XUEFPXTWXZJZNQ-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148251 844708314 /nfs/dbraw/zinc/70/83/14/844708314.db2.gz TVWWMAFQULLGRT-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308569 844734612 /nfs/dbraw/zinc/73/46/12/844734612.db2.gz ADBPQFPDANXHHK-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359279 844743335 /nfs/dbraw/zinc/74/33/35/844743335.db2.gz SBUJMYXVBJABDU-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103379092 844746001 /nfs/dbraw/zinc/74/60/01/844746001.db2.gz ZQDMRPSJHPXXMN-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647002 844794769 /nfs/dbraw/zinc/79/47/69/844794769.db2.gz PGEUWVPLGRGEQF-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663528 844797470 /nfs/dbraw/zinc/79/74/70/844797470.db2.gz GIKCHUFOURIZNZ-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722407 844807411 /nfs/dbraw/zinc/80/74/11/844807411.db2.gz MBGQYAXDJASNDU-HZPDHXFCSA-N 2 0 351.495 0.182 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718885 844807467 /nfs/dbraw/zinc/80/74/67/844807467.db2.gz IVTVFHHKUHLPIY-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721435 844807866 /nfs/dbraw/zinc/80/78/66/844807866.db2.gz SHVHPISZWYTZEG-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751751 844814900 /nfs/dbraw/zinc/81/49/00/844814900.db2.gz OXPUKYKXKVUPGZ-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752485 844815802 /nfs/dbraw/zinc/81/58/02/844815802.db2.gz IGDFKIKYWMWXHP-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103756864 844817281 /nfs/dbraw/zinc/81/72/81/844817281.db2.gz DQPISHMDLKNWPP-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001103999570 844851397 /nfs/dbraw/zinc/85/13/97/844851397.db2.gz CVODBKXWJSMHAC-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104256743 844883307 /nfs/dbraw/zinc/88/33/07/844883307.db2.gz OCVYHSSHJDTERT-OAGGEKHMSA-N 2 0 358.502 0.829 20 0 FCADRP CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630207 861507764 /nfs/dbraw/zinc/50/77/64/861507764.db2.gz MGOZQRCYYDPPRE-KBAYOESNSA-N 2 0 350.507 0.667 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104362996 844900671 /nfs/dbraw/zinc/90/06/71/844900671.db2.gz UFKXVFPHSHJZCR-HUUCEWRRSA-N 2 0 361.552 0.836 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001104691212 844933452 /nfs/dbraw/zinc/93/34/52/844933452.db2.gz LNPOPCCDAAZQND-OAGGEKHMSA-N 2 0 353.511 0.426 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001105008091 844968757 /nfs/dbraw/zinc/96/87/57/844968757.db2.gz PLTJPANGFWKNAC-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008041 844968782 /nfs/dbraw/zinc/96/87/82/844968782.db2.gz MWCNYHFIMBUJLQ-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001105058356 844975333 /nfs/dbraw/zinc/97/53/33/844975333.db2.gz DQCGUODVLCVJBJ-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668106 845014716 /nfs/dbraw/zinc/01/47/16/845014716.db2.gz HRDWNIWLLVJSLJ-RWQQGDIJSA-N 2 0 353.507 0.431 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105668056 845015062 /nfs/dbraw/zinc/01/50/62/845015062.db2.gz WATKUGZHYUQQTB-PSBWJHGTSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668105 845015109 /nfs/dbraw/zinc/01/51/09/845015109.db2.gz HRDWNIWLLVJSLJ-PSBWJHGTSA-N 2 0 353.507 0.431 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CCCC3)C2)C1=O ZINC001276678394 861532271 /nfs/dbraw/zinc/53/22/71/861532271.db2.gz MFAVBCYQMKZNDH-SFHVURJKSA-N 2 0 350.463 0.012 20 0 FCADRP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106146289 845114287 /nfs/dbraw/zinc/11/42/87/845114287.db2.gz VFLPPLAIWHPAQX-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106195818 845128800 /nfs/dbraw/zinc/12/88/00/845128800.db2.gz KOFCZCOZCIWEQB-YRGRVCCFSA-N 2 0 352.504 0.981 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1 ZINC001106198666 845129623 /nfs/dbraw/zinc/12/96/23/845129623.db2.gz IXICOXMQDYOEOS-KFWWJZLASA-N 2 0 354.474 0.679 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106210698 845135659 /nfs/dbraw/zinc/13/56/59/845135659.db2.gz AMFAXUXHBNBXQI-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106244273 845142108 /nfs/dbraw/zinc/14/21/08/845142108.db2.gz HJXIXZHMQKWPHQ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249643 845143171 /nfs/dbraw/zinc/14/31/71/845143171.db2.gz LUOZYAVNKWHGJG-QGPMSJSTSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)[NH+](C)C ZINC001106313388 845153237 /nfs/dbraw/zinc/15/32/37/845153237.db2.gz ZGXGOZKQWZHAJX-MGPQQGTHSA-N 2 0 351.451 0.637 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106340024 845159093 /nfs/dbraw/zinc/15/90/93/845159093.db2.gz ILCBXDNDIJZJIP-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106483270 845181704 /nfs/dbraw/zinc/18/17/04/845181704.db2.gz UTGOZKXSVIMVTM-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106483438 845182169 /nfs/dbraw/zinc/18/21/69/845182169.db2.gz XVGJNUNEMZDSHD-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)C1 ZINC001106571104 845196422 /nfs/dbraw/zinc/19/64/22/845196422.db2.gz MMNOKGLLZPYDSM-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106590882 845201363 /nfs/dbraw/zinc/20/13/63/845201363.db2.gz CSIABJCAYSZLKA-HUUCEWRRSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106591449 845201597 /nfs/dbraw/zinc/20/15/97/845201597.db2.gz AIBWFPNPRNACCC-HUUCEWRRSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)COCC(F)(F)F ZINC001106627147 845208344 /nfs/dbraw/zinc/20/83/44/845208344.db2.gz VDLDMOWXHWRTTF-MCIONIFRSA-N 2 0 369.428 0.562 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)[NH+](C)C ZINC001106673099 845221107 /nfs/dbraw/zinc/22/11/07/845221107.db2.gz BVOFQKQTDQGKHG-KFWWJZLASA-N 2 0 352.479 0.160 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106839297 845264469 /nfs/dbraw/zinc/26/44/69/845264469.db2.gz BUHSCOCSSABXJN-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106874367 845275075 /nfs/dbraw/zinc/27/50/75/845275075.db2.gz FIHDKZPWUXBJDZ-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880209 845277182 /nfs/dbraw/zinc/27/71/82/845277182.db2.gz DDLUSQVXJJNMIJ-HZPDHXFCSA-N 2 0 356.511 0.021 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001106880861 845277250 /nfs/dbraw/zinc/27/72/50/845277250.db2.gz PFIYUUSBTRDXOC-MCIONIFRSA-N 2 0 369.428 0.562 20 0 FCADRP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878043 845277400 /nfs/dbraw/zinc/27/74/00/845277400.db2.gz DWRWYWLJSRNIGY-HUUCEWRRSA-N 2 0 352.479 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001106878282 845277548 /nfs/dbraw/zinc/27/75/48/845277548.db2.gz KMZVSIPNRRPRRF-HUUCEWRRSA-N 2 0 352.454 0.983 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884506 845278442 /nfs/dbraw/zinc/27/84/42/845278442.db2.gz IJLRWLOHCBGWOO-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106897906 845282183 /nfs/dbraw/zinc/28/21/83/845282183.db2.gz PQOHKUJFPYUJGX-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001106983806 845301354 /nfs/dbraw/zinc/30/13/54/845301354.db2.gz KKKQYURQLFSIKF-IXDOHACOSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001107027839 845312594 /nfs/dbraw/zinc/31/25/94/845312594.db2.gz CYPVAUIVRCSRBX-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001107042291 845317344 /nfs/dbraw/zinc/31/73/44/845317344.db2.gz FLRKGULQAFYSGA-BRWVUGGUSA-N 2 0 351.495 0.268 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2 ZINC001107424579 845369096 /nfs/dbraw/zinc/36/90/96/845369096.db2.gz WCFKUUWCXZMFOX-IIDMSEBBSA-N 2 0 356.486 0.773 20 0 FCADRP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C1CC1 ZINC001107438790 845372786 /nfs/dbraw/zinc/37/27/86/845372786.db2.gz JAILNLHMYNIMPM-ZHALLVOQSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)CC1 ZINC001107520697 845390034 /nfs/dbraw/zinc/39/00/34/845390034.db2.gz DBEFTPPBTAOHQB-SJLPKXTDSA-N 2 0 353.507 0.698 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609550 845407194 /nfs/dbraw/zinc/40/71/94/845407194.db2.gz WSJKFBQLWOJJGO-CRAIPNDOSA-N 2 0 354.495 0.014 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107609360 845408153 /nfs/dbraw/zinc/40/81/53/845408153.db2.gz PEVNPSYCTJBBMA-ZHALLVOQSA-N 2 0 353.507 0.698 20 0 FCADRP COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107633809 845411490 /nfs/dbraw/zinc/41/14/90/845411490.db2.gz CZKXIOLOWXXLII-YQVWRLOYSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2 ZINC001107633738 845412282 /nfs/dbraw/zinc/41/22/82/845412282.db2.gz BFZPJENSGFRJLJ-ZHALLVOQSA-N 2 0 353.507 0.698 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109474410 845667997 /nfs/dbraw/zinc/66/79/97/845667997.db2.gz VPWZAWPTKUIXDL-VSZNYVQBSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001109673912 845710828 /nfs/dbraw/zinc/71/08/28/845710828.db2.gz TZIHZWDXKJVARG-AGIUHOORSA-N 2 0 364.412 0.728 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001109866591 845751696 /nfs/dbraw/zinc/75/16/96/845751696.db2.gz JKEIPCMPXNWULC-QZWWFDLISA-N 2 0 357.495 0.074 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001276794775 861611500 /nfs/dbraw/zinc/61/15/00/861611500.db2.gz AQPXIFSCPIXKAY-PXAZEXFGSA-N 2 0 361.433 0.842 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)COC(C)(C)C)CC2 ZINC001276801289 861616489 /nfs/dbraw/zinc/61/64/89/861616489.db2.gz YSRFELZEMRKSSO-HOTGVXAUSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001111098370 846032842 /nfs/dbraw/zinc/03/28/42/846032842.db2.gz AVZRMDJYRYKGFH-ZJPYXAASSA-N 2 0 353.507 0.980 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415353 846103687 /nfs/dbraw/zinc/10/36/87/846103687.db2.gz QFNMEZBJFCMGQL-XDNAFOTISA-N 2 0 353.507 0.981 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859939 846233757 /nfs/dbraw/zinc/23/37/57/846233757.db2.gz IKTPLQROYSLXRN-HKUYNNGSSA-N 2 0 353.507 0.962 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862498 846234588 /nfs/dbraw/zinc/23/45/88/846234588.db2.gz PKLRPALAXMJPAI-WMZOPIPTSA-N 2 0 354.495 0.062 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111907661 846255524 /nfs/dbraw/zinc/25/55/24/846255524.db2.gz GYINNERDFMLDID-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](CC)CC)C2)C1=O ZINC001111910203 846256974 /nfs/dbraw/zinc/25/69/74/846256974.db2.gz SVAKSBYXUROOIT-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915209 846259679 /nfs/dbraw/zinc/25/96/79/846259679.db2.gz RXSSNJZOSJAAKY-SCTDSRPQSA-N 2 0 353.507 0.696 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111937928 846268477 /nfs/dbraw/zinc/26/84/77/846268477.db2.gz CIHDFCMBTSJYSQ-AOIWGVFYSA-N 2 0 353.507 0.962 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006172 846292533 /nfs/dbraw/zinc/29/25/33/846292533.db2.gz LMOIEGDMQLJYOY-GJYPPUQNSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112154484 846422353 /nfs/dbraw/zinc/42/23/53/846422353.db2.gz NVMGYXARFJRTTE-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP CC(=O)[C@H](C)[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899105 861676199 /nfs/dbraw/zinc/67/61/99/861676199.db2.gz GAEMXQXXSSTGKH-QFBILLFUSA-N 2 0 350.507 0.526 20 0 FCADRP O=C(N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001112193112 846451846 /nfs/dbraw/zinc/45/18/46/846451846.db2.gz KVPRWBASDUVJHL-CHWSQXEVSA-N 2 0 365.396 0.070 20 0 FCADRP CC(=O)[C@H](C)N1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901316 861679889 /nfs/dbraw/zinc/67/98/89/861679889.db2.gz PLOVKPRWTPFTLM-QFBILLFUSA-N 2 0 350.507 0.668 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211930 846469244 /nfs/dbraw/zinc/46/92/44/846469244.db2.gz DIYJGURTTSJBCF-YNEHKIRRSA-N 2 0 355.401 0.313 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112436999 846505085 /nfs/dbraw/zinc/50/50/85/846505085.db2.gz RPSCRNLYZTXLTL-FCEWJHQRSA-N 2 0 355.523 0.942 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112563374 846525233 /nfs/dbraw/zinc/52/52/33/846525233.db2.gz SKAQWYNKIIZIDD-AOIWGVFYSA-N 2 0 353.507 0.555 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564457 846525442 /nfs/dbraw/zinc/52/54/42/846525442.db2.gz UQVFWHAOKITBDC-BXWFABGCSA-N 2 0 351.491 0.308 20 0 FCADRP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001112579484 846528930 /nfs/dbraw/zinc/52/89/30/846528930.db2.gz PVGCIBQCFJONQR-AOIWGVFYSA-N 2 0 353.507 0.819 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](C2CCCC2)C3)CC1 ZINC001276941717 861698288 /nfs/dbraw/zinc/69/82/88/861698288.db2.gz YLGSEUZXCMCCHJ-UHFFFAOYSA-N 2 0 350.507 0.480 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H](C)O)CC2 ZINC001276958750 861702523 /nfs/dbraw/zinc/70/25/23/861702523.db2.gz AHSJLUIFGLIEMS-HUUCEWRRSA-N 2 0 355.479 0.033 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001117091180 846884154 /nfs/dbraw/zinc/88/41/54/846884154.db2.gz AJVVTWHMDUYJRK-HOCLYGCPSA-N 2 0 354.495 0.012 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117091418 846884404 /nfs/dbraw/zinc/88/44/04/846884404.db2.gz FPKIPWAODOQKKJ-CVEARBPZSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC001117847293 847183556 /nfs/dbraw/zinc/18/35/56/847183556.db2.gz PGLUJTZOIQQMDR-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001118123439 847289965 /nfs/dbraw/zinc/28/99/65/847289965.db2.gz KSLIPDVRQWKABY-HOTGVXAUSA-N 2 0 352.479 0.356 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001118149322 847297302 /nfs/dbraw/zinc/29/73/02/847297302.db2.gz CWGQYCSLYMRTFP-FUHWJXTLSA-N 2 0 351.491 0.940 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118631653 847507446 /nfs/dbraw/zinc/50/74/46/847507446.db2.gz XJSSTEYTYWEAJV-DOTOQJQBSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001119352880 847819946 /nfs/dbraw/zinc/81/99/46/847819946.db2.gz FYIQYJQWXGFZFS-LSDHHAIUSA-N 2 0 368.547 0.802 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001119415764 847837140 /nfs/dbraw/zinc/83/71/40/847837140.db2.gz ZYHSMPDHTFCQIJ-SHTZXODSSA-N 2 0 364.515 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC001119424963 847840177 /nfs/dbraw/zinc/84/01/77/847840177.db2.gz NGNDVZWBRIYMCZ-IXDOHACOSA-N 2 0 353.511 0.175 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]CC(=O)NCC[NH+]2CCCCCC2)no1 ZINC001120591460 848250238 /nfs/dbraw/zinc/25/02/38/848250238.db2.gz XQPRTRVTPOZFHR-UHFFFAOYSA-N 2 0 351.451 0.893 20 0 FCADRP O=C(C[NH2+]C[C@H](O)COC1CCOCC1)NCC[NH+]1CCCCCC1 ZINC001120591194 848250467 /nfs/dbraw/zinc/25/04/67/848250467.db2.gz VAGQSIBHVQIBTQ-INIZCTEOSA-N 2 0 357.495 0.125 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564651 848606903 /nfs/dbraw/zinc/60/69/03/848606903.db2.gz ORQVESCJPNOKBL-IRXDYDNUSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001127644132 848730320 /nfs/dbraw/zinc/73/03/20/848730320.db2.gz WDEQGZLIQFCBKX-GDBMZVCRSA-N 2 0 353.488 0.506 20 0 FCADRP C[C@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127644067 848730838 /nfs/dbraw/zinc/73/08/38/848730838.db2.gz SYZBTIXVAOFMNF-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127701703 848732403 /nfs/dbraw/zinc/73/24/03/848732403.db2.gz WQIFTTYUIZBEMQ-RWMBFGLXSA-N 2 0 364.412 0.586 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC(C)C)CC[N@@H+]1C ZINC001127705454 848733326 /nfs/dbraw/zinc/73/33/26/848733326.db2.gz DEZACOAJPSKLMK-JKSUJKDBSA-N 2 0 356.511 0.354 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001129029879 848798246 /nfs/dbraw/zinc/79/82/46/848798246.db2.gz NMNRONVHNHCCGT-XHSDSOJGSA-N 2 0 352.458 0.710 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129849980 848902471 /nfs/dbraw/zinc/90/24/71/848902471.db2.gz GZJNMHWGSOAAMB-ULGWUFGESA-N 2 0 364.881 0.714 20 0 FCADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894903 848909804 /nfs/dbraw/zinc/90/98/04/848909804.db2.gz XITKASJZIUDBAI-KFWWJZLASA-N 2 0 352.458 0.852 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC1 ZINC001130054444 848937150 /nfs/dbraw/zinc/93/71/50/848937150.db2.gz DAPQOQXRAYLNFG-CVEARBPZSA-N 2 0 352.458 0.711 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130096982 848944457 /nfs/dbraw/zinc/94/44/57/848944457.db2.gz WZWYKIUJDRQVON-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)OC ZINC001130125615 848948590 /nfs/dbraw/zinc/94/85/90/848948590.db2.gz WZGZGSIRPZIKGW-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001130125248 848948638 /nfs/dbraw/zinc/94/86/38/848948638.db2.gz DPSPWQDKLGRNAM-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130235066 848983339 /nfs/dbraw/zinc/98/33/39/848983339.db2.gz SUGGPMLZTQRJHB-STQMWFEESA-N 2 0 356.446 0.194 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130249087 848988495 /nfs/dbraw/zinc/98/84/95/848988495.db2.gz JDHPBZYWWGUCRH-KBPBESRZSA-N 2 0 352.483 0.633 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]CCCF)c1 ZINC001130712659 849028477 /nfs/dbraw/zinc/02/84/77/849028477.db2.gz GCJXNGDNVBPIGC-GOEBONIOSA-N 2 0 355.458 0.242 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130719333 849028910 /nfs/dbraw/zinc/02/89/10/849028910.db2.gz JYYICJZCCFWWQT-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CC)n2)O1 ZINC001130813642 849048339 /nfs/dbraw/zinc/04/83/39/849048339.db2.gz VSYQPFRQKMWRCW-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131059759 849076159 /nfs/dbraw/zinc/07/61/59/849076159.db2.gz HOVOSNUTFFTAMP-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068153 849077077 /nfs/dbraw/zinc/07/70/77/849077077.db2.gz POCGMWIIQWYPKK-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001131115536 849080451 /nfs/dbraw/zinc/08/04/51/849080451.db2.gz RGYXRZVLMNBNQR-ARFHVFGLSA-N 2 0 351.495 0.417 20 0 FCADRP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313264 849095094 /nfs/dbraw/zinc/09/50/94/849095094.db2.gz MGODPFSDYFIGNZ-OAGGEKHMSA-N 2 0 352.479 0.700 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CC1 ZINC001131516992 849117045 /nfs/dbraw/zinc/11/70/45/849117045.db2.gz FAJGHBGFMVXWLQ-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131550023 849122112 /nfs/dbraw/zinc/12/21/12/849122112.db2.gz JXFPIRFLWJMSEZ-SJORKVTESA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)CC1 ZINC001131555489 849123555 /nfs/dbraw/zinc/12/35/55/849123555.db2.gz IHWJZGNDULFZCC-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277695616 862001598 /nfs/dbraw/zinc/00/15/98/862001598.db2.gz QEMAJYJAQAXHOL-FZMZJTMJSA-N 2 0 351.369 0.312 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001142680755 849458485 /nfs/dbraw/zinc/45/84/85/849458485.db2.gz DFUSRFRTINALEZ-BWJWTDLKSA-N 2 0 357.495 0.692 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001142791714 849461553 /nfs/dbraw/zinc/46/15/53/849461553.db2.gz MGIDHFDOIIBTME-AQUXLQGKSA-N 2 0 367.437 0.547 20 0 FCADRP CN(CC(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1)C(N)=[NH2+] ZINC001144138020 849509830 /nfs/dbraw/zinc/50/98/30/849509830.db2.gz ZRAATHCQWGXUFW-UHFFFAOYSA-N 2 0 359.356 0.406 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC001145107237 849546662 /nfs/dbraw/zinc/54/66/62/849546662.db2.gz VHEMPORLWVGWJA-NEPJUHHUSA-N 2 0 359.471 0.324 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC001153324267 849742774 /nfs/dbraw/zinc/74/27/74/849742774.db2.gz AFCJKQSDVVDDOM-QGZVFWFLSA-N 2 0 352.523 0.774 20 0 FCADRP FC(F)(F)c1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1C[NH2+]CC2 ZINC001154849443 849817794 /nfs/dbraw/zinc/81/77/94/849817794.db2.gz LKIWKGLHAPUVCP-UHFFFAOYSA-N 2 0 353.352 0.736 20 0 FCADRP CS(=O)(=O)c1nc2c(c(N[C@@]34CCC[C@@H]3[NH2+]CC4)n1)CC[NH2+]CC2 ZINC001155402510 849851585 /nfs/dbraw/zinc/85/15/85/849851585.db2.gz ODSKIAPOPWOEIG-XJKSGUPXSA-N 2 0 351.476 0.265 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC001157344467 849964999 /nfs/dbraw/zinc/96/49/99/849964999.db2.gz MTRNSSYPERJDGS-LBPRGKRZSA-N 2 0 353.492 0.584 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1)C(=O)N1CCCC1 ZINC001157368347 849967084 /nfs/dbraw/zinc/96/70/84/849967084.db2.gz DVNORHFWNHHCLL-FRRDWIJNSA-N 2 0 364.412 0.763 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)C(F)(F)C1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001157380201 849968642 /nfs/dbraw/zinc/96/86/42/849968642.db2.gz ZJBHMZMXUXQHRW-AWEZNQCLSA-N 2 0 360.449 0.858 20 0 FCADRP CC1([NH3+])CN(C(=O)[C@@H](c2cccc(Br)c2)N2CC[NH2+]CC2)C1 ZINC001157652126 849986560 /nfs/dbraw/zinc/98/65/60/849986560.db2.gz WFLXAPNFHPWWFJ-CQSZACIVSA-N 2 0 367.291 0.955 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001157741237 849990366 /nfs/dbraw/zinc/99/03/66/849990366.db2.gz UXKFZEGYCRLSPH-CJNGLKHVSA-N 2 0 361.483 0.080 20 0 FCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC1 ZINC001157755778 849990941 /nfs/dbraw/zinc/99/09/41/849990941.db2.gz SKIAPCWAOXSWJD-SMDDNHRTSA-N 2 0 370.391 0.842 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001157798986 849995528 /nfs/dbraw/zinc/99/55/28/849995528.db2.gz IVNCFEZDBXJFGX-VNQPRFMTSA-N 2 0 364.515 0.559 20 0 FCADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157844093 849999534 /nfs/dbraw/zinc/99/95/34/849999534.db2.gz UZAKLAGQXWXVGF-VGWMRTNUSA-N 3 0 353.511 0.020 20 0 FCADRP C[C@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1F ZINC001157926312 850004508 /nfs/dbraw/zinc/00/45/08/850004508.db2.gz ORZGCOJHUGHEOD-ZJOBFFGXSA-N 2 0 360.449 0.732 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccsc2)C1 ZINC001158167061 850020570 /nfs/dbraw/zinc/02/05/70/850020570.db2.gz ICDQNNQFJAAYPT-QBPKDAKJSA-N 2 0 364.515 0.659 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208003 850023619 /nfs/dbraw/zinc/02/36/19/850023619.db2.gz IOPQLBCUILSKEG-OWCLPIDISA-N 2 0 362.499 0.326 20 0 FCADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241291 850028640 /nfs/dbraw/zinc/02/86/40/850028640.db2.gz TWOBOXMTRIFAQF-JQWIXIFHSA-N 2 0 360.380 0.140 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[NH2+]C(C)C)C2 ZINC001158380584 850042312 /nfs/dbraw/zinc/04/23/12/850042312.db2.gz FYRVXXNAGKDWFC-UONOGXRCSA-N 2 0 351.369 0.528 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C2 ZINC001158380129 850042564 /nfs/dbraw/zinc/04/25/64/850042564.db2.gz COTSWTAGJTUIEL-YIKOMLBNSA-N 2 0 363.380 0.657 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CCCC[NH3+])C2 ZINC001158384055 850043689 /nfs/dbraw/zinc/04/36/89/850043689.db2.gz QCSMTORYNFWAAN-KGLIPLIRSA-N 2 0 351.369 0.659 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C[C@@H]2CF)CC1 ZINC001158568223 850059920 /nfs/dbraw/zinc/05/99/20/850059920.db2.gz NOUZBLLGDPTNCR-YQQAZPJKSA-N 3 0 352.498 0.986 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C[C@@H]2CF)CC1 ZINC001158568222 850060822 /nfs/dbraw/zinc/06/08/22/850060822.db2.gz NOUZBLLGDPTNCR-HLLBOEOZSA-N 3 0 352.498 0.986 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCCCCCC[NH3+] ZINC001158735000 850071840 /nfs/dbraw/zinc/07/18/40/850071840.db2.gz JIFOVMNKKVCOSJ-UHFFFAOYSA-N 2 0 372.491 0.908 20 0 FCADRP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158958854 850087337 /nfs/dbraw/zinc/08/73/37/850087337.db2.gz LPGXTPKQNOCVDC-LBPRGKRZSA-N 2 0 369.491 0.059 20 0 FCADRP COC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)Cc2cn(C)nc21 ZINC001159031463 850092848 /nfs/dbraw/zinc/09/28/48/850092848.db2.gz XMDXEUQYRFGCKV-CVEARBPZSA-N 2 0 351.495 0.988 20 0 FCADRP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)Cc2cn(C)nc21 ZINC001159031465 850093051 /nfs/dbraw/zinc/09/30/51/850093051.db2.gz XMDXEUQYRFGCKV-HOTGVXAUSA-N 2 0 351.495 0.988 20 0 FCADRP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001159127554 850097328 /nfs/dbraw/zinc/09/73/28/850097328.db2.gz TWGVJCJJORZVTQ-DZGCQCFKSA-N 2 0 350.467 0.092 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160919 850098097 /nfs/dbraw/zinc/09/80/97/850098097.db2.gz VRHHZXZPRDWKIA-POUGUFFASA-N 2 0 359.536 0.621 20 0 FCADRP C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001159696722 850130162 /nfs/dbraw/zinc/13/01/62/850130162.db2.gz LFNDGCULJSMLAS-WFASDCNBSA-N 2 0 367.519 0.732 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159710957 850131189 /nfs/dbraw/zinc/13/11/89/850131189.db2.gz KVHFKKCGMQMZSG-ZDUSSCGKSA-N 2 0 365.503 0.664 20 0 FCADRP CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159844618 850140981 /nfs/dbraw/zinc/14/09/81/850140981.db2.gz ITHVSKXCLKNFTC-OAHLLOKOSA-N 2 0 354.495 0.095 20 0 FCADRP CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001160271693 850163853 /nfs/dbraw/zinc/16/38/53/850163853.db2.gz WRVIMYSWFKNZRO-GJZGRUSLSA-N 2 0 354.495 0.176 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC001160388970 850169949 /nfs/dbraw/zinc/16/99/49/850169949.db2.gz RTLOOAOJBXKLDA-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160420330 850171438 /nfs/dbraw/zinc/17/14/38/850171438.db2.gz CSJUYSMLTFSACS-ZDUSSCGKSA-N 2 0 366.462 0.657 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001160455073 850173616 /nfs/dbraw/zinc/17/36/16/850173616.db2.gz YYIMNMKFZRNMMK-HNNXBMFYSA-N 2 0 357.520 0.201 20 0 FCADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001160646487 850188021 /nfs/dbraw/zinc/18/80/21/850188021.db2.gz ZGMYADXSBNKZGG-KBPBESRZSA-N 2 0 354.495 0.282 20 0 FCADRP CC(C)[C@@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160669848 850190891 /nfs/dbraw/zinc/19/08/91/850190891.db2.gz NGTKJWMNFNUBIY-JYJNAYRXSA-N 2 0 354.495 0.317 20 0 FCADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160823017 850200423 /nfs/dbraw/zinc/20/04/23/850200423.db2.gz BTQMOQBTVIWPKV-ZFWWWQNUSA-N 2 0 351.451 0.458 20 0 FCADRP Nc1ccc(Br)c2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001160846160 850203009 /nfs/dbraw/zinc/20/30/09/850203009.db2.gz LQHBHJSFDMLQQW-ZDUSSCGKSA-N 2 0 373.320 0.935 20 0 FCADRP Nc1ccc(Br)c2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160846488 850203130 /nfs/dbraw/zinc/20/31/30/850203130.db2.gz IAOUSOGJTIZHSB-GFCCVEGCSA-N 2 0 365.275 0.725 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971493 850216156 /nfs/dbraw/zinc/21/61/56/850216156.db2.gz HMRKTSSTBUNSTA-BDAKNGLRSA-N 2 0 360.327 0.357 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)CC(F)(F)C1 ZINC001160971872 850216450 /nfs/dbraw/zinc/21/64/50/850216450.db2.gz CGDQRNKVQWZOGQ-GDLCADMTSA-N 2 0 350.369 0.294 20 0 FCADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051355 850225257 /nfs/dbraw/zinc/22/52/57/850225257.db2.gz UEUPISMVRPPINE-HUUCEWRRSA-N 2 0 357.520 0.342 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001161157799 850236160 /nfs/dbraw/zinc/23/61/60/850236160.db2.gz KFJHPSKPUIIVKY-ZDUSSCGKSA-N 2 0 359.467 0.566 20 0 FCADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C[C@H]2C1 ZINC001161175459 850237173 /nfs/dbraw/zinc/23/71/73/850237173.db2.gz MFJYCBOISBEUMU-XQLPTFJDSA-N 2 0 352.479 0.097 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001161238012 850241200 /nfs/dbraw/zinc/24/12/00/850241200.db2.gz QADJSQYLLOUXMT-QWHCGFSZSA-N 2 0 356.879 0.359 20 0 FCADRP CS(=O)(=O)c1cccc(C2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001161366818 850254220 /nfs/dbraw/zinc/25/42/20/850254220.db2.gz AZCNBZREACNGNL-MRXNPFEDSA-N 2 0 353.488 0.862 20 0 FCADRP COc1ccnc(N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2CC[NH2+]CC2)c1 ZINC001161385493 850255428 /nfs/dbraw/zinc/25/54/28/850255428.db2.gz BKVOIRRTWNZYFP-LFPIHBKWSA-N 2 0 354.476 0.271 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161447758 850259644 /nfs/dbraw/zinc/25/96/44/850259644.db2.gz ZBXCHEQOGKKNHJ-GJZGRUSLSA-N 3 0 356.511 0.448 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001161478696 850261782 /nfs/dbraw/zinc/26/17/82/850261782.db2.gz NTXRMJUMDFXLMO-GJZGRUSLSA-N 2 0 359.465 0.069 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001161478700 850262572 /nfs/dbraw/zinc/26/25/72/850262572.db2.gz NTXRMJUMDFXLMO-LSDHHAIUSA-N 2 0 359.465 0.069 20 0 FCADRP C[NH+]1CCC(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)(N2CCOCC2)CC1 ZINC001161816773 850285170 /nfs/dbraw/zinc/28/51/70/850285170.db2.gz RRJHKRSNQBIHSU-MRXNPFEDSA-N 2 0 356.486 0.333 20 0 FCADRP CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]2)CC1 ZINC001162391571 850312134 /nfs/dbraw/zinc/31/21/34/850312134.db2.gz BZEMKWDKPAQBFP-KGLIPLIRSA-N 2 0 353.492 0.845 20 0 FCADRP COc1ccc(CN2CC[NH+](C)CC2)cc1N(C)S(=O)(=O)CC[NH3+] ZINC001164300688 850404197 /nfs/dbraw/zinc/40/41/97/850404197.db2.gz VHEGMCRYCUACSD-UHFFFAOYSA-N 2 0 356.492 0.167 20 0 FCADRP Cc1nnsc1C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165729095 850453699 /nfs/dbraw/zinc/45/36/99/850453699.db2.gz YWDJCWUKJGSPBH-TZMCWYRMSA-N 2 0 367.519 0.942 20 0 FCADRP COC(=O)[C@@H](CCC[NH3+])Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001167899834 850562279 /nfs/dbraw/zinc/56/22/79/850562279.db2.gz SIOYTSANXYVIBD-MRXNPFEDSA-N 2 0 369.487 0.905 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N([C@@H]1C[NH2+]C[C@@H]3CCCO[C@H]13)S(C)(=O)=O)C2 ZINC001169129617 850606906 /nfs/dbraw/zinc/60/69/06/850606906.db2.gz KFQPOKUYKFLIJW-PFHJDOJBSA-N 2 0 357.520 0.640 20 0 FCADRP CC[NH+]1CCC(NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001169241324 850610303 /nfs/dbraw/zinc/61/03/03/850610303.db2.gz URSHVWCZLIVPRG-UHFFFAOYSA-N 2 0 352.504 0.890 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NCCOCCOCC[NH3+] ZINC001170508494 850656334 /nfs/dbraw/zinc/65/63/34/850656334.db2.gz QEVVWSRDOHLHIM-UHFFFAOYSA-N 2 0 353.467 0.167 20 0 FCADRP C[NH+]1CCC(COc2cnc(NCCOCCOCC[NH3+])nc2)CC1 ZINC001170507421 850656519 /nfs/dbraw/zinc/65/65/19/850656519.db2.gz IKLGFLBUNBVZTH-UHFFFAOYSA-N 2 0 353.467 0.601 20 0 FCADRP [NH3+]C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173385500 850722481 /nfs/dbraw/zinc/72/24/81/850722481.db2.gz STAKXMUULYUETC-CQSZACIVSA-N 2 0 356.264 0.963 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522153 850724371 /nfs/dbraw/zinc/72/43/71/850724371.db2.gz XEIYOFHWANRSIR-SUMWQHHRSA-N 2 0 359.467 0.883 20 0 FCADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001178188217 850888176 /nfs/dbraw/zinc/88/81/76/850888176.db2.gz PWTPLAOZJVDNDN-MRXNPFEDSA-N 2 0 355.504 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)CC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731173 850921460 /nfs/dbraw/zinc/92/14/60/850921460.db2.gz NSIVTAIIOIDKKM-WTTBNOFXSA-N 2 0 350.507 0.774 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001278102323 862188120 /nfs/dbraw/zinc/18/81/20/862188120.db2.gz WYBFENJVVBTRPZ-QGZVFWFLSA-N 2 0 355.552 0.441 20 0 FCADRP C=C(F)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001180119392 851014783 /nfs/dbraw/zinc/01/47/83/851014783.db2.gz UCKKAZOLOPYRPD-YOPIWALVSA-N 2 0 361.458 0.765 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001180380314 851032066 /nfs/dbraw/zinc/03/20/66/851032066.db2.gz BELZAQWBPKHLNS-UHFFFAOYSA-N 2 0 369.491 0.330 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CCS(=O)(=O)CC1 ZINC001181541580 851120016 /nfs/dbraw/zinc/12/00/16/851120016.db2.gz STBJHLFJEPLKRO-UHFFFAOYSA-N 2 0 361.552 0.933 20 0 FCADRP CO[C@H](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181566401 851122159 /nfs/dbraw/zinc/12/21/59/851122159.db2.gz PBQIAKXOZBWHEM-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC=CO2)C[C@]2(CCCC(=O)N2)C1 ZINC001278141256 862210475 /nfs/dbraw/zinc/21/04/75/862210475.db2.gz UVULKNXYEJUMFP-MJGOQNOKSA-N 2 0 350.507 0.897 20 0 FCADRP CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183636128 851257832 /nfs/dbraw/zinc/25/78/32/851257832.db2.gz VASNYGGHAIMYQO-INIZCTEOSA-N 2 0 357.455 0.473 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254251 851345915 /nfs/dbraw/zinc/34/59/15/851345915.db2.gz ZQUOJUUWLJDREZ-PMPSAXMXSA-N 2 0 363.531 0.812 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001186353536 851427807 /nfs/dbraw/zinc/42/78/07/851427807.db2.gz JGFRXZQAYKOGLB-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001186369562 851429313 /nfs/dbraw/zinc/42/93/13/851429313.db2.gz CROQMTLLWAQIDM-AWEZNQCLSA-N 2 0 366.487 0.274 20 0 FCADRP COCOCCC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278203978 862253018 /nfs/dbraw/zinc/25/30/18/862253018.db2.gz JIRISRPDWFACRH-SFHVURJKSA-N 2 0 356.511 0.215 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001188107804 851646452 /nfs/dbraw/zinc/64/64/52/851646452.db2.gz YYZZMAJIQKHAJC-YESZJQIVSA-N 2 0 359.486 0.862 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001190237675 851881398 /nfs/dbraw/zinc/88/13/98/851881398.db2.gz CXMREIWVISXQAD-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)NC(=O)NCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238327 851881987 /nfs/dbraw/zinc/88/19/87/851881987.db2.gz LGEOYFYKGOZHED-OWCLPIDISA-N 2 0 353.511 0.567 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351212 851895206 /nfs/dbraw/zinc/89/52/06/851895206.db2.gz UPZDHWDPYHBEPB-RCCFBDPRSA-N 2 0 355.523 0.893 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351211 851895406 /nfs/dbraw/zinc/89/54/06/851895406.db2.gz UPZDHWDPYHBEPB-OKZBNKHCSA-N 2 0 355.523 0.893 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370267 851897438 /nfs/dbraw/zinc/89/74/38/851897438.db2.gz AOTPFGCQUHWAMA-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193892049 852501487 /nfs/dbraw/zinc/50/14/87/852501487.db2.gz CMAVHFHBIQCWQS-RCCFBDPRSA-N 2 0 353.507 0.839 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001194264977 852569503 /nfs/dbraw/zinc/56/95/03/852569503.db2.gz JOQXIZKHIWQFSD-BZUAXINKSA-N 2 0 357.495 0.074 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)CCCC1 ZINC001195006533 852692246 /nfs/dbraw/zinc/69/22/46/852692246.db2.gz KYZRPZMKVQYKGW-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CCc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)o1 ZINC001195980680 852859679 /nfs/dbraw/zinc/85/96/79/852859679.db2.gz CDQFDAADVQFMNQ-CKEIUWERSA-N 2 0 352.479 0.793 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197024373 853050830 /nfs/dbraw/zinc/05/08/30/853050830.db2.gz CHJBTPDRXYQWKP-BRWVUGGUSA-N 2 0 351.495 0.448 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1O ZINC001197826207 853168653 /nfs/dbraw/zinc/16/86/53/853168653.db2.gz QOFCGRBJAIITLK-IAGOWNOFSA-N 2 0 369.893 0.622 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197926313 853187894 /nfs/dbraw/zinc/18/78/94/853187894.db2.gz KTVMINUVUNOZBA-ZIAGYGMSSA-N 2 0 369.428 0.849 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001197954972 853190808 /nfs/dbraw/zinc/19/08/08/853190808.db2.gz IVEXGUPAVHVEQN-GVDBMIGSSA-N 2 0 357.495 0.075 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001199057438 853361419 /nfs/dbraw/zinc/36/14/19/853361419.db2.gz JSWDCJTZGWJSMT-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCC(F)F)C2)CC[N@@H+]1C ZINC001200547452 853502460 /nfs/dbraw/zinc/50/24/60/853502460.db2.gz NETRYKDJXUHJCS-QLFBSQMISA-N 2 0 363.449 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200554340 853502505 /nfs/dbraw/zinc/50/25/05/853502505.db2.gz IXJAEANQAKOYKD-HRCADAONSA-N 2 0 354.495 0.012 20 0 FCADRP CCN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001200644045 853507261 /nfs/dbraw/zinc/50/72/61/853507261.db2.gz IIVDOMJLEPBFDP-RHSMWYFYSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1CCOCC1)CC2 ZINC001202562426 853567735 /nfs/dbraw/zinc/56/77/35/853567735.db2.gz VKOYSANFCDZXAO-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP [NH3+][C@H]1C[C@H](O)CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001204957556 853593662 /nfs/dbraw/zinc/59/36/62/853593662.db2.gz SXIQQUJAFLLCTQ-GJZGRUSLSA-N 2 0 369.307 0.753 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432906 853609518 /nfs/dbraw/zinc/60/95/18/853609518.db2.gz UCKCHFFSUGUXBZ-JKSUJKDBSA-N 2 0 350.438 0.407 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207435119 853812007 /nfs/dbraw/zinc/81/20/07/853812007.db2.gz HKIOEXZMDGJGJV-UHFFFAOYSA-N 3 0 351.539 0.156 20 0 FCADRP O=C(CO[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21)N1CCCC1 ZINC001207435810 853812231 /nfs/dbraw/zinc/81/22/31/853812231.db2.gz WCOWAPVHSYSPSS-AOIWGVFYSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207602813 853829361 /nfs/dbraw/zinc/82/93/61/853829361.db2.gz VQECTIJCYRBFJC-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070072 853890651 /nfs/dbraw/zinc/89/06/51/853890651.db2.gz CKTWEFFOAAQJTK-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208073162 853891690 /nfs/dbraw/zinc/89/16/90/853891690.db2.gz DJNSUHCGTINRRP-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001208621871 853961403 /nfs/dbraw/zinc/96/14/03/853961403.db2.gz AXANPKWCVQGCBK-UHFFFAOYSA-N 2 0 354.495 0.949 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208646167 853962503 /nfs/dbraw/zinc/96/25/03/853962503.db2.gz FULMMFYMATUSMA-HUUCEWRRSA-N 2 0 353.511 0.426 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040148 854072741 /nfs/dbraw/zinc/07/27/41/854072741.db2.gz BUNNHWVBGIADCO-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330476 854101516 /nfs/dbraw/zinc/10/15/16/854101516.db2.gz ZUICVNSCVVSMIV-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094898 854157198 /nfs/dbraw/zinc/15/71/98/854157198.db2.gz XONFOTBLTBKOCZ-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369886 854182597 /nfs/dbraw/zinc/18/25/97/854182597.db2.gz SDGNXKYUGWSODF-MGPQQGTHSA-N 2 0 369.428 0.703 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409384 854467081 /nfs/dbraw/zinc/46/70/81/854467081.db2.gz FAXBDUHXJNAYHF-KZNAEPCWSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409382 854467248 /nfs/dbraw/zinc/46/72/48/854467248.db2.gz FAXBDUHXJNAYHF-KURKYZTESA-N 2 0 353.507 0.959 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495352 854501076 /nfs/dbraw/zinc/50/10/76/854501076.db2.gz CPKQRPKXECWOAD-USXIJHARSA-N 2 0 350.463 0.758 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CCC1 ZINC001213342190 854582527 /nfs/dbraw/zinc/58/25/27/854582527.db2.gz LBFKNGSDOKHJCI-IXDOHACOSA-N 2 0 353.507 0.959 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638626 854694181 /nfs/dbraw/zinc/69/41/81/854694181.db2.gz XNLFKXFXTCCZPI-IAGOWNOFSA-N 2 0 357.495 0.339 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863202 854797571 /nfs/dbraw/zinc/79/75/71/854797571.db2.gz HJKOSCINNCZCNC-GVDBMIGSSA-N 2 0 357.495 0.197 20 0 FCADRP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892762 854814050 /nfs/dbraw/zinc/81/40/50/854814050.db2.gz PHVXHCCYBJHVLS-ZACQAIPSSA-N 2 0 357.495 0.339 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001214336257 854927065 /nfs/dbraw/zinc/92/70/65/854927065.db2.gz ZSGXIDNKXLQIOK-UPJWGTAASA-N 2 0 364.412 0.538 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214597434 854976052 /nfs/dbraw/zinc/97/60/52/854976052.db2.gz JLOAOLYSXGIYGT-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1)[NH+](C)C ZINC001214952776 855039076 /nfs/dbraw/zinc/03/90/76/855039076.db2.gz LSNBIKUQDDXFBZ-RBSFLKMASA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057136 855060101 /nfs/dbraw/zinc/06/01/01/855060101.db2.gz YJACKEDAQRMYRW-HZPDHXFCSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215407789 855111696 /nfs/dbraw/zinc/11/16/96/855111696.db2.gz RPHNIUDYJJBQPA-TZMCWYRMSA-N 2 0 357.476 0.436 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215414093 855112048 /nfs/dbraw/zinc/11/20/48/855112048.db2.gz RXGVOSXACSWFMY-VXGBXAGGSA-N 2 0 364.412 0.443 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001215422035 855112881 /nfs/dbraw/zinc/11/28/81/855112881.db2.gz UPIDYJGHODCTKW-CHWSQXEVSA-N 2 0 353.492 0.860 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001215423724 855112966 /nfs/dbraw/zinc/11/29/66/855112966.db2.gz SRACNJGYLIHMLA-ZIAGYGMSSA-N 2 0 367.519 0.884 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001215453870 855117223 /nfs/dbraw/zinc/11/72/23/855117223.db2.gz WELJUTVROWPBOD-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n(C)n1 ZINC001215458997 855117324 /nfs/dbraw/zinc/11/73/24/855117324.db2.gz SVJMJICETIDDBU-TZMCWYRMSA-N 2 0 350.467 0.055 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCCc1ccsc1 ZINC001215463049 855117964 /nfs/dbraw/zinc/11/79/64/855117964.db2.gz FPOIKTHBDPQPOL-GDBMZVCRSA-N 2 0 366.531 0.795 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474073 855119663 /nfs/dbraw/zinc/11/96/63/855119663.db2.gz KOEMCMLBKJKOIQ-BZUAXINKSA-N 2 0 361.552 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215540658 855125878 /nfs/dbraw/zinc/12/58/78/855125878.db2.gz PFMDPMHOEORQHZ-ARFHVFGLSA-N 2 0 352.523 0.927 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215539973 855126014 /nfs/dbraw/zinc/12/60/14/855126014.db2.gz FURRDBWGJRQMBC-BFYDXBDKSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215536420 855126690 /nfs/dbraw/zinc/12/66/90/855126690.db2.gz QXNQHOBNWLOIMR-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001215990167 855162782 /nfs/dbraw/zinc/16/27/82/855162782.db2.gz VBJQATDAMOPWTI-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001215990165 855162902 /nfs/dbraw/zinc/16/29/02/855162902.db2.gz VBJQATDAMOPWTI-FRRDWIJNSA-N 2 0 366.428 0.832 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001215998963 855164091 /nfs/dbraw/zinc/16/40/91/855164091.db2.gz JPSUXRODUOPWNS-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216002619 855164347 /nfs/dbraw/zinc/16/43/47/855164347.db2.gz XOVKUCOVHPOYHU-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001216174427 855177163 /nfs/dbraw/zinc/17/71/63/855177163.db2.gz QMEXZFOTSNLSNR-GDBMZVCRSA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001216174502 855177806 /nfs/dbraw/zinc/17/78/06/855177806.db2.gz SNCFMZUKWBCVAJ-RHSMWYFYSA-N 2 0 350.507 0.822 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1 ZINC001216217141 855181003 /nfs/dbraw/zinc/18/10/03/855181003.db2.gz IHZFNMUUXIPZCW-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216226593 855181543 /nfs/dbraw/zinc/18/15/43/855181543.db2.gz XUWIBZUAWCGDSH-OWCLPIDISA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216383367 855197061 /nfs/dbraw/zinc/19/70/61/855197061.db2.gz KYGXLVLAZPAEAA-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216405174 855199438 /nfs/dbraw/zinc/19/94/38/855199438.db2.gz HEKDHQAVYSIHIN-CHWSQXEVSA-N 2 0 363.487 0.614 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405176 855199540 /nfs/dbraw/zinc/19/95/40/855199540.db2.gz HEOAIZVBVYKBJQ-BZUAXINKSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216755887 855232798 /nfs/dbraw/zinc/23/27/98/855232798.db2.gz IWAPYFCCDDMWFO-HUUCEWRRSA-N 2 0 357.520 0.344 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001216757591 855233819 /nfs/dbraw/zinc/23/38/19/855233819.db2.gz DSNAPHCGUOTYOD-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001216846407 855256306 /nfs/dbraw/zinc/25/63/06/855256306.db2.gz CDIUNQMSLBYOSO-QGPMSJSTSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216851761 855259085 /nfs/dbraw/zinc/25/90/85/855259085.db2.gz HORRHCZCKZNFSG-OWCLPIDISA-N 2 0 359.536 0.588 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218017267 855389590 /nfs/dbraw/zinc/38/95/90/855389590.db2.gz TWWGTMAGCUJVCN-VHSXEESVSA-N 2 0 356.398 0.230 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532765 855435385 /nfs/dbraw/zinc/43/53/85/855435385.db2.gz HUVUXZGPNPDRPB-ZJUUUORDSA-N 2 0 369.491 0.156 20 0 FCADRP O=C(Nc1nc(Br)cn2ccnc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218563021 855439083 /nfs/dbraw/zinc/43/90/83/855439083.db2.gz BMIPVXCWSSDIFK-YMTOWFKASA-N 2 0 365.235 0.629 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1nccnc1N1CCOCC1 ZINC001218571092 855441567 /nfs/dbraw/zinc/44/15/67/855441567.db2.gz PZPMMESQLGIONJ-AWEZNQCLSA-N 2 0 350.467 0.747 20 0 FCADRP CCOC(=O)c1oc2nccnc2c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218570718 855441821 /nfs/dbraw/zinc/44/18/21/855441821.db2.gz HTOCOWHELJRLQG-QMMMGPOBSA-N 2 0 353.404 0.357 20 0 FCADRP COc1ccc(Br)nc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218618554 855452009 /nfs/dbraw/zinc/45/20/09/855452009.db2.gz RFRSBGYEJSCSGR-SNVBAGLBSA-N 2 0 372.267 0.542 20 0 FCADRP COc1ccc(Br)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218655083 855459730 /nfs/dbraw/zinc/45/97/30/855459730.db2.gz RPRIXXDAFXKPOZ-NSHDSACASA-N 2 0 372.267 0.542 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218695375 855465750 /nfs/dbraw/zinc/46/57/50/855465750.db2.gz VHFRZZDZGSQEDK-RYUDHWBXSA-N 2 0 369.853 0.826 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccnn1C1CCN(C(C)=O)CC1 ZINC001218735435 855472556 /nfs/dbraw/zinc/47/25/56/855472556.db2.gz WICIPBRVNHULNV-HNNXBMFYSA-N 2 0 350.467 0.722 20 0 FCADRP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218854385 855486681 /nfs/dbraw/zinc/48/66/81/855486681.db2.gz XXEIYLDWEXPNEW-GFCCVEGCSA-N 2 0 353.444 0.236 20 0 FCADRP CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1Cl ZINC001218873463 855489362 /nfs/dbraw/zinc/48/93/62/855489362.db2.gz KXWWKJOXLLAQNK-CQSZACIVSA-N 2 0 353.854 0.987 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(NC(C)=O)cc1OC ZINC001219225719 855591823 /nfs/dbraw/zinc/59/18/23/855591823.db2.gz JAWFBXQESCSWJU-LLVKDONJSA-N 2 0 352.391 0.445 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219303405 855623576 /nfs/dbraw/zinc/62/35/76/855623576.db2.gz VKANKUMEHGSRDH-QWRGUYRKSA-N 2 0 352.410 0.747 20 0 FCADRP O=C(Nc1ccc(Br)c2c1C(=O)NC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219444706 855673352 /nfs/dbraw/zinc/67/33/52/855673352.db2.gz ZMGNJBZQANROLJ-SECBINFHSA-N 2 0 365.231 0.440 20 0 FCADRP CS(=O)(=O)c1cc(F)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1F ZINC001219446795 855673993 /nfs/dbraw/zinc/67/39/93/855673993.db2.gz XDMPKOJPRQURJY-RFAUZJTJSA-N 2 0 359.398 0.506 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219615974 855734954 /nfs/dbraw/zinc/73/49/54/855734954.db2.gz KXEAACSZOAIGTG-ZMSDIMECSA-N 2 0 370.494 0.263 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219744257 855795118 /nfs/dbraw/zinc/79/51/18/855795118.db2.gz VSMUHUFUMUDAPI-DLBZAZTESA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744059 855795457 /nfs/dbraw/zinc/79/54/57/855795457.db2.gz RIGLNPSHQKMAGU-KKUMJFAQSA-N 2 0 354.495 0.282 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219744258 855796173 /nfs/dbraw/zinc/79/61/73/855796173.db2.gz VSMUHUFUMUDAPI-IAGOWNOFSA-N 2 0 350.507 0.478 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219770564 855807406 /nfs/dbraw/zinc/80/74/06/855807406.db2.gz ARPCKUMLRZGPQU-GXFFZTMASA-N 2 0 356.364 0.370 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219793605 855815144 /nfs/dbraw/zinc/81/51/44/855815144.db2.gz IMTWTEMVRBPBQZ-QGZVFWFLSA-N 3 0 350.507 0.478 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001219814610 855829196 /nfs/dbraw/zinc/82/91/96/855829196.db2.gz IADIXPKLCLDHKA-ZVZYQTTQSA-N 2 0 365.499 0.608 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823327 855831381 /nfs/dbraw/zinc/83/13/81/855831381.db2.gz PFRWZJJPTRXCLQ-UONOGXRCSA-N 3 0 350.488 0.461 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219831179 855836224 /nfs/dbraw/zinc/83/62/24/855836224.db2.gz AJGVMBDMIKVNHW-WCXIOVBPSA-N 2 0 364.515 0.578 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219834159 855836668 /nfs/dbraw/zinc/83/66/68/855836668.db2.gz OOTHCGLZKGEJIJ-BHPKHCPMSA-N 2 0 365.396 0.428 20 0 FCADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219951837 855894416 /nfs/dbraw/zinc/89/44/16/855894416.db2.gz DPHURFWXTDNBNB-INIZCTEOSA-N 2 0 371.547 0.829 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)CCCCNC(N)=[NH2+])CCC([NH3+])CC1 ZINC001220039853 855929727 /nfs/dbraw/zinc/92/97/27/855929727.db2.gz WARGDJZEMFSYSM-UHFFFAOYSA-N 2 0 355.483 0.738 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062272 855940799 /nfs/dbraw/zinc/94/07/99/855940799.db2.gz SOWMCYMOWJIRPY-HOTGVXAUSA-N 2 0 371.547 0.782 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073634 855946303 /nfs/dbraw/zinc/94/63/03/855946303.db2.gz FZWFDEVZDMCZCY-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001220230556 856023210 /nfs/dbraw/zinc/02/32/10/856023210.db2.gz KEIGBFPBBBTSEL-ZACQAIPSSA-N 2 0 353.507 0.431 20 0 FCADRP CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH2+]CCC[NH3+] ZINC001220294055 856049758 /nfs/dbraw/zinc/04/97/58/856049758.db2.gz DNWQGHLEQNLQBP-HNNXBMFYSA-N 2 0 351.447 0.700 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481756 856147537 /nfs/dbraw/zinc/14/75/37/856147537.db2.gz QDGGQZUPFKJTNP-VLXAULBPSA-N 2 0 359.467 0.147 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220521609 856164535 /nfs/dbraw/zinc/16/45/35/856164535.db2.gz JVVBNAGFXPEOQX-SCLBCKFNSA-N 2 0 351.447 0.462 20 0 FCADRP CC(C)([NH3+])CN(C(=O)CCCCNC(N)=[NH2+])S(=O)(=O)c1ccccc1 ZINC001220535627 856170862 /nfs/dbraw/zinc/17/08/62/856170862.db2.gz HQTJPVZLPFUOJS-UHFFFAOYSA-N 2 0 369.491 0.595 20 0 FCADRP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220567969 856188985 /nfs/dbraw/zinc/18/89/85/856188985.db2.gz RTARELFIARDYFG-HNNXBMFYSA-N 2 0 353.463 0.384 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)c1ccc(Br)cc1 ZINC001220605718 856203375 /nfs/dbraw/zinc/20/33/75/856203375.db2.gz WLXGYSPTUZOLOF-QWHCGFSZSA-N 2 0 352.236 0.858 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609646 856206528 /nfs/dbraw/zinc/20/65/28/856206528.db2.gz CWUPSVREVWJZBM-HOTUBEGUSA-N 2 0 357.252 0.417 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728507 856267074 /nfs/dbraw/zinc/26/70/74/856267074.db2.gz OFRAYZYODCPJPV-OLMNPRSZSA-N 2 0 353.507 0.431 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)CC(C)(C)CC[NH3+] ZINC001220763435 856286850 /nfs/dbraw/zinc/28/68/50/856286850.db2.gz BUKXZYXNNQVMMN-GJZGRUSLSA-N 2 0 373.563 0.918 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001220768719 856290303 /nfs/dbraw/zinc/29/03/03/856290303.db2.gz ZVOCRGAPRODQBK-SJORKVTESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803323 856309493 /nfs/dbraw/zinc/30/94/93/856309493.db2.gz DWPXIBWXHLRZKG-AXFHLTTASA-N 2 0 353.385 0.963 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220816782 856319376 /nfs/dbraw/zinc/31/93/76/856319376.db2.gz AGNPCQJSUZOUFJ-KGLIPLIRSA-N 2 0 369.428 0.849 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220870873 856350191 /nfs/dbraw/zinc/35/01/91/856350191.db2.gz QHJOYVGZIYRXSV-ZDUSSCGKSA-N 3 0 356.268 0.077 20 0 FCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001220898559 856363404 /nfs/dbraw/zinc/36/34/04/856363404.db2.gz NOKHUHUAQIDSPP-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccccc1CN1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220928679 856379046 /nfs/dbraw/zinc/37/90/46/856379046.db2.gz ZGSWESMZPBJMEL-GJZGRUSLSA-N 2 0 352.504 0.405 20 0 FCADRP CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(F)(F)F ZINC001220944719 856385702 /nfs/dbraw/zinc/38/57/02/856385702.db2.gz AJPNHWZMBVKDJS-SDDRHHMPSA-N 2 0 352.401 0.891 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976147 856403650 /nfs/dbraw/zinc/40/36/50/856403650.db2.gz LOFZAPKBJIYKKD-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001220986892 856409124 /nfs/dbraw/zinc/40/91/24/856409124.db2.gz DIYPWXSEUNROGI-NXHRZFHOSA-N 2 0 353.507 0.696 20 0 FCADRP [NH3+][C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001221004021 856418314 /nfs/dbraw/zinc/41/83/14/856418314.db2.gz IXUMCYGQCVAGEU-YHUYYLMFSA-N 2 0 352.479 0.036 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221073109 856448992 /nfs/dbraw/zinc/44/89/92/856448992.db2.gz GODAFMGVUALMJN-KSZLIROESA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001221073294 856450082 /nfs/dbraw/zinc/45/00/82/856450082.db2.gz OURJBWNYFMWVQH-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001221188084 856506603 /nfs/dbraw/zinc/50/66/03/856506603.db2.gz NHKZTIGMYDIALH-NWDGAFQWSA-N 2 0 358.236 0.846 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407866 856560797 /nfs/dbraw/zinc/56/07/97/856560797.db2.gz FFUDXPCSXUVKOY-AJNGGQMLSA-N 2 0 354.495 0.532 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCC3CCOCC3)C[C@H]21 ZINC001221950677 856746378 /nfs/dbraw/zinc/74/63/78/856746378.db2.gz SNPKKFGYKZFIOU-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001221967246 856753131 /nfs/dbraw/zinc/75/31/31/856753131.db2.gz YYINEVKNNDIALU-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972699 856755454 /nfs/dbraw/zinc/75/54/54/856755454.db2.gz FPVDUICMFWQWRG-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222017910 856767699 /nfs/dbraw/zinc/76/76/99/856767699.db2.gz BOVPIHZUOWQFDX-KZNAEPCWSA-N 2 0 353.507 0.914 20 0 FCADRP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222017911 856768060 /nfs/dbraw/zinc/76/80/60/856768060.db2.gz BOVPIHZUOWQFDX-RCCFBDPRSA-N 2 0 353.507 0.914 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245346 856903584 /nfs/dbraw/zinc/90/35/84/856903584.db2.gz AFTIQBRTIFZVJA-IKGGRYGDSA-N 2 0 353.507 0.791 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)CC[N@@H+]1C ZINC001223354744 856910713 /nfs/dbraw/zinc/91/07/13/856910713.db2.gz PWIJJHVEAHWZRE-MHORFTMASA-N 2 0 353.507 0.648 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223379193 856912211 /nfs/dbraw/zinc/91/22/11/856912211.db2.gz SWZUFUSRQWLSAE-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223429782 856914452 /nfs/dbraw/zinc/91/44/52/856914452.db2.gz AYKYSYFPHXKCKS-CABCVRRESA-N 2 0 350.463 0.010 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430520 856915151 /nfs/dbraw/zinc/91/51/51/856915151.db2.gz MIUULCPRMZIZQX-ZACQAIPSSA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001223429886 856915260 /nfs/dbraw/zinc/91/52/60/856915260.db2.gz DAMWSAOSGADQBI-BBWFWOEESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1 ZINC001223430705 856915277 /nfs/dbraw/zinc/91/52/77/856915277.db2.gz PNDXOHRNPMQLSC-SJORKVTESA-N 2 0 371.547 0.686 20 0 FCADRP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227614283 857167229 /nfs/dbraw/zinc/16/72/29/857167229.db2.gz XCXYJSVMRHOULN-RVKOJVRFSA-N 2 0 351.491 0.903 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262662 857198851 /nfs/dbraw/zinc/19/88/51/857198851.db2.gz WRQNQJSTYLNRHX-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229692476 857281626 /nfs/dbraw/zinc/28/16/26/857281626.db2.gz HVFJZTGNTKXHEB-ARFHVFGLSA-N 2 0 356.511 0.496 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710081 857283299 /nfs/dbraw/zinc/28/32/99/857283299.db2.gz KSIMHQSEPPSPIR-HZPDHXFCSA-N 2 0 352.483 0.393 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709647 857283394 /nfs/dbraw/zinc/28/33/94/857283394.db2.gz HLVGXNBTCVFTMZ-ARFHVFGLSA-N 2 0 356.511 0.496 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229869082 857291217 /nfs/dbraw/zinc/29/12/17/857291217.db2.gz WUTXHMMIVNTMPE-GVDBMIGSSA-N 2 0 359.511 0.369 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138274 857306823 /nfs/dbraw/zinc/30/68/23/857306823.db2.gz MIYHQDLXKKMSSL-BZUAXINKSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001230284948 857322735 /nfs/dbraw/zinc/32/27/35/857322735.db2.gz YQAAQRALVXPDRA-ARFHVFGLSA-N 2 0 359.536 0.778 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235522093 857426428 /nfs/dbraw/zinc/42/64/28/857426428.db2.gz QNYWTIIZGBCPSC-LBPRGKRZSA-N 2 0 351.451 0.049 20 0 FCADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(OC)c1OC ZINC001235868347 857432481 /nfs/dbraw/zinc/43/24/81/857432481.db2.gz CRNWXLDDGMCPJL-UHFFFAOYSA-N 2 0 352.479 0.297 20 0 FCADRP OC1CCN(c2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)s2)CC1 ZINC001235871392 857433540 /nfs/dbraw/zinc/43/35/40/857433540.db2.gz QPEKWLYJYQDZTO-UHFFFAOYSA-N 2 0 367.563 0.294 20 0 FCADRP Cc1cncc(Br)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874265 857433835 /nfs/dbraw/zinc/43/38/35/857433835.db2.gz OKSKVBGXBJPWOH-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP [NH3+][C@H]1CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C[C@H]1O ZINC001235960756 857435629 /nfs/dbraw/zinc/43/56/29/857435629.db2.gz NKXGJHPUFJLLOS-DZGCQCFKSA-N 2 0 355.280 0.363 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CC(C)(C)N3CCOCC3)C[C@H]1C2 ZINC001236018939 857436007 /nfs/dbraw/zinc/43/60/07/857436007.db2.gz AOLWDUQDINJKOH-OLMMMNRUSA-N 2 0 351.491 0.428 20 0 FCADRP Cc1cc(Br)cnc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311367 857438975 /nfs/dbraw/zinc/43/89/75/857438975.db2.gz IGQSNBVRRYSZBK-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP Cc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ncc1Br ZINC001236310976 857439136 /nfs/dbraw/zinc/43/91/36/857439136.db2.gz CVLJGCIQBBHOOV-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP COC(=O)Cc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236312274 857439891 /nfs/dbraw/zinc/43/98/91/857439891.db2.gz ULNNUOGHUWHWNL-UHFFFAOYSA-N 2 0 350.463 0.018 20 0 FCADRP Cn1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c2c1ccnc2Cl ZINC001236315814 857440741 /nfs/dbraw/zinc/44/07/41/857440741.db2.gz RRVHKXFJJBVFPC-UHFFFAOYSA-N 2 0 366.897 0.843 20 0 FCADRP [NH3+][C@H]1C[C@H](CO)N(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001236422203 857440842 /nfs/dbraw/zinc/44/08/42/857440842.db2.gz CZAXLQFXWJCMNC-LSDHHAIUSA-N 2 0 369.307 0.753 20 0 FCADRP C[NH+]1CCN(c2cccnc2NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001237564720 857455469 /nfs/dbraw/zinc/45/54/69/857455469.db2.gz BXRVTCNPKPZSCN-UHFFFAOYSA-N 2 0 353.492 0.575 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001237670082 857456728 /nfs/dbraw/zinc/45/67/28/857456728.db2.gz BHBVFOXPXWLNSU-UHFFFAOYSA-N 2 0 352.504 0.833 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1c(O)cccc1N1CC[NH2+]CC1 ZINC001237827442 857458828 /nfs/dbraw/zinc/45/88/28/857458828.db2.gz XUXSPEAPRYIPSD-UHFFFAOYSA-N 2 0 354.476 0.543 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2c(c1)OCO2 ZINC001238242594 857465413 /nfs/dbraw/zinc/46/54/13/857465413.db2.gz PJRHRQVJGNGGGL-GFCCVEGCSA-N 2 0 353.444 0.568 20 0 FCADRP COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238244211 857466333 /nfs/dbraw/zinc/46/63/33/857466333.db2.gz XXDPHVOOVAMJHK-NSHDSACASA-N 2 0 373.500 0.687 20 0 FCADRP [NH3+]CCS(=O)(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001238578239 857473412 /nfs/dbraw/zinc/47/34/12/857473412.db2.gz LYEMIWFYGQPMSJ-GJZGRUSLSA-N 2 0 355.460 0.324 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1cccc(N2CC[NH2+]CC2)c1 ZINC001238765363 857479270 /nfs/dbraw/zinc/47/92/70/857479270.db2.gz FJACWHYGHKTSAV-UHFFFAOYSA-N 2 0 352.504 0.515 20 0 FCADRP COc1cccc(CC2(CNS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001238822140 857481682 /nfs/dbraw/zinc/48/16/82/857481682.db2.gz KZWGRELNQHLRLB-QGZVFWFLSA-N 2 0 367.515 0.889 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001238856748 857484530 /nfs/dbraw/zinc/48/45/30/857484530.db2.gz BCYSEONOHYHIPG-UHFFFAOYSA-N 2 0 352.504 0.622 20 0 FCADRP COC(=O)/C=C/c1cccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001238879028 857485651 /nfs/dbraw/zinc/48/56/51/857485651.db2.gz NFUKUELVAGFBCX-BQYQJAHWSA-N 2 0 355.460 0.480 20 0 FCADRP COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238879012 857485664 /nfs/dbraw/zinc/48/56/64/857485664.db2.gz MZEWWNDZLKTKNM-UHFFFAOYSA-N 2 0 363.867 0.733 20 0 FCADRP COC(=O)CCc1ccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001238879010 857485816 /nfs/dbraw/zinc/48/58/16/857485816.db2.gz GDCXPCCOAHLFHM-UHFFFAOYSA-N 2 0 371.503 0.789 20 0 FCADRP COC(=O)c1ccc([C@H]([NH3+])CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001238919769 857489872 /nfs/dbraw/zinc/48/98/72/857489872.db2.gz OUEHIZYHJBJOLE-OAHLLOKOSA-N 2 0 355.460 0.392 20 0 FCADRP C[N@H+](C1CCOCC1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239099450 857513873 /nfs/dbraw/zinc/51/38/73/857513873.db2.gz IJTZPYHWWIUIKC-UHFFFAOYSA-N 2 0 359.536 0.891 20 0 FCADRP CCOc1ccc(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239295783 857526953 /nfs/dbraw/zinc/52/69/53/857526953.db2.gz LZCRHOGDCQUSRL-UHFFFAOYSA-N 2 0 351.451 0.733 20 0 FCADRP O=S(=O)(c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1)C1C[NH2+]C1 ZINC001241899801 857541034 /nfs/dbraw/zinc/54/10/34/857541034.db2.gz DQZZONNXWVKWFP-UHFFFAOYSA-N 2 0 359.455 0.299 20 0 FCADRP COc1ncc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1NS(C)(=O)=O ZINC001244794481 857551436 /nfs/dbraw/zinc/55/14/36/857551436.db2.gz PQAMVIPLEUDDSU-UHFFFAOYSA-N 2 0 363.443 0.933 20 0 FCADRP O[C@@H](CNc1cccc(F)c1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245967286 857562240 /nfs/dbraw/zinc/56/22/40/857562240.db2.gz AVAOBHYNMHDJJV-CQSZACIVSA-N 2 0 352.454 0.513 20 0 FCADRP O[C@@H](CNC1(c2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246005459 857564767 /nfs/dbraw/zinc/56/47/67/857564767.db2.gz HIGWVZWCZRJOLJ-OAHLLOKOSA-N 2 0 351.466 0.860 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047449 857566350 /nfs/dbraw/zinc/56/63/50/857566350.db2.gz DZZRPETUZIWAOC-OKZBNKHCSA-N 2 0 354.445 0.303 20 0 FCADRP COC(=O)C1C[C@@H]2CC(NC[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C[C@H](C1)[NH2+]2 ZINC001246145150 857569509 /nfs/dbraw/zinc/56/95/09/857569509.db2.gz LSXPAFVXMOXSTM-SSNHOHEISA-N 3 0 350.507 0.522 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CN1)N1CCSC1 ZINC001246185676 857570310 /nfs/dbraw/zinc/57/03/10/857570310.db2.gz VIUDSJJQHVSRCH-OAGGEKHMSA-N 2 0 368.547 0.388 20 0 FCADRP CCOC(=O)[C@H]1NC[C@@H]2[C@H]([NH2+]C3CCC4(CC3)C[NH2+]CCO4)CC[C@@H]21 ZINC001246151185 857570579 /nfs/dbraw/zinc/57/05/79/857570579.db2.gz PSJFDTZXXXMZCE-PIMZTRDMSA-N 2 0 351.491 0.807 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CN[C@@](CC)(C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246239367 857571137 /nfs/dbraw/zinc/57/11/37/857571137.db2.gz XPOXMIVALSLBMN-RLFYNMQTSA-N 2 0 355.479 0.581 20 0 FCADRP O=S1(=O)CCC(Cc2ccccc2)([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246383072 857576196 /nfs/dbraw/zinc/57/61/96/857576196.db2.gz GFFRNFSZSNTBIT-QGZVFWFLSA-N 2 0 363.527 0.860 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CCN(C4CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246369566 857576536 /nfs/dbraw/zinc/57/65/36/857576536.db2.gz GALDSOPEVVRZJZ-LHJGCZIBSA-N 3 0 350.507 0.475 20 0 FCADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246519619 857583623 /nfs/dbraw/zinc/58/36/23/857583623.db2.gz NNUOLROLAJKENS-HOTGVXAUSA-N 2 0 354.495 0.333 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)N1CCNC[C@]12CC[NH2+]C2 ZINC001246620866 857587041 /nfs/dbraw/zinc/58/70/41/857587041.db2.gz BADOXEUGCKQJNL-GOSISDBHSA-N 2 0 355.479 0.679 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCN[C@H](C(F)(F)F)C1)C2 ZINC001246674366 857589548 /nfs/dbraw/zinc/58/95/48/857589548.db2.gz RXNGWBOCGRUEIC-ULSDXFBPSA-N 2 0 361.408 1.000 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700541 857592012 /nfs/dbraw/zinc/59/20/12/857592012.db2.gz GYBYYHGOGWDTHS-BCDMZGRMSA-N 2 0 351.491 0.998 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745369 857597052 /nfs/dbraw/zinc/59/70/52/857597052.db2.gz HGTQCYZLJOYIEI-FAJBIJEISA-N 2 0 351.491 0.999 20 0 FCADRP C[C@H]1C[C@@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751427 857598883 /nfs/dbraw/zinc/59/88/83/857598883.db2.gz PIGFBOIPNIBTBK-IRXDYDNUSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772653 857599764 /nfs/dbraw/zinc/59/97/64/857599764.db2.gz FCPUWODDALMWDC-MTNOOBJLSA-N 2 0 351.491 0.857 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC4CC4)CC3)[C@@H]2C1 ZINC001279514841 862929550 /nfs/dbraw/zinc/92/95/50/862929550.db2.gz UGIMZSYMNPXLOT-IAGOWNOFSA-N 2 0 351.491 0.919 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246923666 857605538 /nfs/dbraw/zinc/60/55/38/857605538.db2.gz DZGNPWVTZFWWLV-OAHLLOKOSA-N 2 0 354.445 0.938 20 0 FCADRP C(C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CSC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246932262 857606466 /nfs/dbraw/zinc/60/64/66/857606466.db2.gz CJQZARNGMMLYDG-KRWDZBQOSA-N 3 0 354.564 0.468 20 0 FCADRP COC(=O)[C@H](N)[C@H]1CCC[N@@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926496 857606605 /nfs/dbraw/zinc/60/66/05/857606605.db2.gz TXZJNIJBIVRUQP-JMDIOJQTSA-N 2 0 353.463 0.271 20 0 FCADRP CCC[NH+](CCC)CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001251021650 857683163 /nfs/dbraw/zinc/68/31/63/857683163.db2.gz RGZQYCYCEVQRAP-LJQANCHMSA-N 2 0 356.555 0.419 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001251779942 857751161 /nfs/dbraw/zinc/75/11/61/857751161.db2.gz WSUGALVENISFNX-HRCADAONSA-N 2 0 353.511 0.746 20 0 FCADRP COC(=O)[C@@H](O)C[NH2+]CCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252436467 857807627 /nfs/dbraw/zinc/80/76/27/857807627.db2.gz VVILXEBKHPTLOH-AWEZNQCLSA-N 2 0 359.467 0.443 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253182667 857869349 /nfs/dbraw/zinc/86/93/49/857869349.db2.gz SGXVEVGDRJGILF-OALUTQOASA-N 2 0 357.539 0.750 20 0 FCADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]21 ZINC001253389262 857884474 /nfs/dbraw/zinc/88/44/74/857884474.db2.gz XJJSBYIVBZUVKF-XUWVNRHRSA-N 2 0 356.511 0.344 20 0 FCADRP COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253405587 857886386 /nfs/dbraw/zinc/88/63/86/857886386.db2.gz HXPIHWPIMHDRHH-CVEARBPZSA-N 2 0 351.491 0.691 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001253409187 857887416 /nfs/dbraw/zinc/88/74/16/857887416.db2.gz QQVOBRCFTHQHEX-QLFBSQMISA-N 2 0 359.511 0.943 20 0 FCADRP OCCOCCOCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049668 857936414 /nfs/dbraw/zinc/93/64/14/857936414.db2.gz KGXDTOQKKQZOJH-UHFFFAOYSA-N 2 0 352.475 0.629 20 0 FCADRP O=S(=O)(c1ccccn1)N([C@H]1CC[NH2+]C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254869786 857989154 /nfs/dbraw/zinc/98/91/54/857989154.db2.gz YGMNYXKYRHOBPN-JKSUJKDBSA-N 2 0 350.488 0.919 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255052616 857997504 /nfs/dbraw/zinc/99/75/04/857997504.db2.gz QWCSTEJHVBOKKZ-FUDCBSFHSA-N 2 0 357.451 0.491 20 0 FCADRP CN(C)C(=O)CO[C@@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]2COC[C@H]12 ZINC001255675409 858028652 /nfs/dbraw/zinc/02/86/52/858028652.db2.gz FNEPYGSFKAQLPU-DXMBWKHVSA-N 2 0 351.491 0.806 20 0 FCADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)C1CC[NH+](C2CC2)CC1 ZINC001256076286 858053178 /nfs/dbraw/zinc/05/31/78/858053178.db2.gz XLVPFIHSQQZWMB-UHFFFAOYSA-N 2 0 367.519 0.765 20 0 FCADRP COC1(CC(=O)N2CCO[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]32)CCC1 ZINC001279615472 862980075 /nfs/dbraw/zinc/98/00/75/862980075.db2.gz LELAIOBUQNEHCP-SJORKVTESA-N 2 0 351.491 0.857 20 0 FCADRP CN1CCC([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001256205453 858057415 /nfs/dbraw/zinc/05/74/15/858057415.db2.gz SQWXDXPFAQZQOR-UHFFFAOYSA-N 2 0 351.539 0.251 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001256792905 858098998 /nfs/dbraw/zinc/09/89/98/858098998.db2.gz VMHUYUKUQBAVOH-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCOCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257600175 858154995 /nfs/dbraw/zinc/15/49/95/858154995.db2.gz JBVSBILMCWDOAS-KBPBESRZSA-N 2 0 359.467 0.883 20 0 FCADRP CCC[NH+]1CCC([N@@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001258777848 858210723 /nfs/dbraw/zinc/21/07/23/858210723.db2.gz KLKREQPXNZNUKF-KRWDZBQOSA-N 2 0 350.507 0.729 20 0 FCADRP CSC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261320925 858517858 /nfs/dbraw/zinc/51/78/58/858517858.db2.gz OZWBMRUVWPTACP-OAHLLOKOSA-N 2 0 358.552 0.540 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H]1C ZINC001261525295 858579761 /nfs/dbraw/zinc/57/97/61/858579761.db2.gz ZJHYQUMSIYYMRA-FPXQBCRKSA-N 2 0 350.507 0.905 20 0 FCADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001262599342 859016057 /nfs/dbraw/zinc/01/60/57/859016057.db2.gz VSESGZVFYHKZKW-CQSZACIVSA-N 2 0 351.495 0.500 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001263762568 859206345 /nfs/dbraw/zinc/20/63/45/859206345.db2.gz HSZKLUHLURZHHH-MRXNPFEDSA-N 2 0 351.495 0.420 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001270237728 859695656 /nfs/dbraw/zinc/69/56/56/859695656.db2.gz QFXRAMFAYKBUQJ-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001270333120 859719261 /nfs/dbraw/zinc/71/92/61/859719261.db2.gz QKCJABHCXQKATA-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H](C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)[NH+]1CCCC1 ZINC001270489777 859769724 /nfs/dbraw/zinc/76/97/24/859769724.db2.gz INNUJYRHPQLLQI-KBRIMQKVSA-N 2 0 358.433 0.133 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCS(=O)(=O)C3)CCCC2)CC[N@@H+]1C ZINC001270750336 859837010 /nfs/dbraw/zinc/83/70/10/859837010.db2.gz XNSXRMDRMNZXGD-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001271138352 859903816 /nfs/dbraw/zinc/90/38/16/859903816.db2.gz DDNRIKMIDMPPOT-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001273332099 860455640 /nfs/dbraw/zinc/45/56/40/860455640.db2.gz DGTPMVIXZMSNGA-MSOLQXFVSA-N 2 0 352.523 0.582 20 0 FCADRP C[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500603 860509958 /nfs/dbraw/zinc/50/99/58/860509958.db2.gz BVQIOOVWNYVKRO-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001273511920 860514474 /nfs/dbraw/zinc/51/44/74/860514474.db2.gz NIZUYAYLZNKJJY-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273547327 860527629 /nfs/dbraw/zinc/52/76/29/860527629.db2.gz GNEIZOYYZYLSET-GOSISDBHSA-N 2 0 354.495 0.110 20 0 FCADRP CC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666160 860561377 /nfs/dbraw/zinc/56/13/77/860561377.db2.gz ILTCDCYOOYEJQF-JLVBRIDZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC001274156264 860693853 /nfs/dbraw/zinc/69/38/53/860693853.db2.gz AWFDMLZGOZJWQT-GOEBONIOSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC3CC3)C[C@H]21 ZINC001274923508 860872482 /nfs/dbraw/zinc/87/24/82/860872482.db2.gz DDAWXOFJSPEJNX-KSZLIROESA-N 2 0 350.507 0.334 20 0 FCADRP CC[C@@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275068596 860929039 /nfs/dbraw/zinc/92/90/39/860929039.db2.gz ITAAQTBANHRWJG-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP CCCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275104686 860934215 /nfs/dbraw/zinc/93/42/15/860934215.db2.gz YHQWFRFCMWTRAV-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@H+](C)CCN3C)(C1)CCC2 ZINC001275176853 860979885 /nfs/dbraw/zinc/97/98/85/860979885.db2.gz MBKHXMQZKMEBRW-YTQUADARSA-N 2 0 351.539 0.345 20 0 FCADRP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275324336 861032209 /nfs/dbraw/zinc/03/22/09/861032209.db2.gz GBGQLCDOKXBHME-IAGOWNOFSA-N 2 0 350.507 0.193 20 0 FCADRP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275466041 861104143 /nfs/dbraw/zinc/10/41/43/861104143.db2.gz VSDLPQWKXXDHDC-GOSISDBHSA-N 2 0 350.463 0.904 20 0 FCADRP CCNC(=O)CNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001275556244 861127965 /nfs/dbraw/zinc/12/79/65/861127965.db2.gz JTBQCVYBJMFROF-INIZCTEOSA-N 2 0 350.507 0.683 20 0 FCADRP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275557078 861128587 /nfs/dbraw/zinc/12/85/87/861128587.db2.gz UOYXKWNBTKXGFV-HZPDHXFCSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)CCN1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736079 861178603 /nfs/dbraw/zinc/17/86/03/861178603.db2.gz AGHVWAOGWDKPTD-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736501 861180610 /nfs/dbraw/zinc/18/06/10/861180610.db2.gz FEXSHJZHDYGPOO-IBGZPJMESA-N 2 0 350.507 0.827 20 0 FCADRP CCC1(C[N@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)COC1 ZINC001279905895 863128306 /nfs/dbraw/zinc/12/83/06/863128306.db2.gz VTVZMIMFPNQCEG-LSDHHAIUSA-N 2 0 350.463 0.310 20 0 FCADRP COC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053052 863221142 /nfs/dbraw/zinc/22/11/42/863221142.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 0 350.463 0.715 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280125505 863276358 /nfs/dbraw/zinc/27/63/58/863276358.db2.gz KXMPHSUGYIKDLU-KRWDZBQOSA-N 2 0 350.482 0.515 20 0 FCADRP C[NH+]1CCC(C[NH2+]C23CC(C(=O)N4CC(N5CC(F)C5)C4)(C2)C3)CC1 ZINC001280125432 863276915 /nfs/dbraw/zinc/27/69/15/863276915.db2.gz IWECFGIRMRJHGC-UHFFFAOYSA-N 2 0 350.482 0.705 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1COCCC12CN(CC[NH+](C)C)C2 ZINC001280221181 863345519 /nfs/dbraw/zinc/34/55/19/863345519.db2.gz NMVGNYBWGZJAPU-QGZVFWFLSA-N 2 0 354.539 0.687 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)C1 ZINC001280256198 863362300 /nfs/dbraw/zinc/36/23/00/863362300.db2.gz BOAIVKFMTXKQMN-WBVHZDCISA-N 2 0 351.491 0.429 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@@H]2C1 ZINC001280279433 863375502 /nfs/dbraw/zinc/37/55/02/863375502.db2.gz XLXBWLBBKROWTJ-HZPDHXFCSA-N 2 0 357.470 0.869 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281838474 863803688 /nfs/dbraw/zinc/80/36/88/863803688.db2.gz HDVXVGALLMWLIY-FPCVCCKLSA-N 2 0 354.495 0.009 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]21 ZINC001288979940 864835801 /nfs/dbraw/zinc/83/58/01/864835801.db2.gz MCANCFQIDFQKTQ-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001289847329 865295964 /nfs/dbraw/zinc/29/59/64/865295964.db2.gz WYAIXPNGQLFSQO-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCS(=O)(=O)N(C)C ZINC001292583125 865746671 /nfs/dbraw/zinc/74/66/71/865746671.db2.gz YTCWIQMPVAPZHI-HNNXBMFYSA-N 2 0 362.540 0.142 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nn1 ZINC001349273308 866287675 /nfs/dbraw/zinc/28/76/75/866287675.db2.gz QFRANZLATLNYSF-GOEBONIOSA-N 2 0 350.467 0.376 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)nn1 ZINC001349273310 866287780 /nfs/dbraw/zinc/28/77/80/866287780.db2.gz QFRANZLATLNYSF-ZBFHGGJFSA-N 2 0 350.467 0.376 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCCN2CCC3(C2)OCCO3)n1 ZINC001350040605 866496675 /nfs/dbraw/zinc/49/66/75/866496675.db2.gz HTVUSYUDULNEKW-UHFFFAOYSA-N 2 0 352.439 0.015 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001308820554 866720999 /nfs/dbraw/zinc/72/09/99/866720999.db2.gz MSNQJRXIQVQNGU-IRXDYDNUSA-N 2 0 373.563 0.728 20 0 FCADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001351786638 866967724 /nfs/dbraw/zinc/96/77/24/866967724.db2.gz GNCUKLCBYMIHFI-RYQLBKOJSA-N 2 0 351.539 0.994 20 0 FCADRP C[C@@H]1COCCN1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001311894186 867127599 /nfs/dbraw/zinc/12/75/99/867127599.db2.gz URKBMUHKCTYDMX-BRWVUGGUSA-N 3 0 355.527 0.088 20 0 FCADRP CS(=O)(=O)CCN1CCC(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001353339428 867399928 /nfs/dbraw/zinc/39/99/28/867399928.db2.gz KANNCPZZJXTBAN-QGZVFWFLSA-N 2 0 372.535 0.423 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC001353556023 867447715 /nfs/dbraw/zinc/44/77/15/867447715.db2.gz NYFWRUWTZSKQDN-UHFFFAOYSA-N 2 0 353.488 0.645 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001316758870 867460154 /nfs/dbraw/zinc/46/01/54/867460154.db2.gz PGMTZGGOLHCCTG-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CC[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[N@@H+]1C ZINC001317552170 867540135 /nfs/dbraw/zinc/54/01/35/867540135.db2.gz FAXSASNCIWNSNW-BFYDXBDKSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)CSCC(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC001319234475 867863826 /nfs/dbraw/zinc/86/38/26/867863826.db2.gz LGPXDSIAIIHYHR-HZPDHXFCSA-N 2 0 370.563 0.636 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001319440683 867917576 /nfs/dbraw/zinc/91/75/76/867917576.db2.gz BDBKEIXHZARZMA-KBPBESRZSA-N 2 0 350.467 0.372 20 0 FCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001357630276 868142410 /nfs/dbraw/zinc/14/24/10/868142410.db2.gz OXWLCMFTRNKTOH-SOUVJXGZSA-N 2 0 351.495 0.497 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001358668819 868243940 /nfs/dbraw/zinc/24/39/40/868243940.db2.gz BEQBYBMASHLDJM-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001358666588 868244599 /nfs/dbraw/zinc/24/45/99/868244599.db2.gz YVWDVKGPWBUZGK-BZUAXINKSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001325275417 869837446 /nfs/dbraw/zinc/83/74/46/869837446.db2.gz PWUNPMVGGDPGHQ-OAHLLOKOSA-N 2 0 350.463 0.580 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC001325861294 870065448 /nfs/dbraw/zinc/06/54/48/870065448.db2.gz DESGIISDXGTWGP-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)CC[NH2+]CC2 ZINC001326142796 870183123 /nfs/dbraw/zinc/18/31/23/870183123.db2.gz QGVWUALWOVJEOL-KBXCAEBGSA-N 2 0 368.547 0.531 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC[NH2+]CC2 ZINC001326142797 870183272 /nfs/dbraw/zinc/18/32/72/870183272.db2.gz QGVWUALWOVJEOL-KDOFPFPSSA-N 2 0 368.547 0.531 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001326806393 870509064 /nfs/dbraw/zinc/50/90/64/870509064.db2.gz SWZADXCIPKWZQW-INIZCTEOSA-N 2 0 354.495 0.191 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001327122146 870679088 /nfs/dbraw/zinc/67/90/88/870679088.db2.gz VQARVLBDXPTVAN-CQSZACIVSA-N 2 0 357.520 0.390 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC001327196884 870711654 /nfs/dbraw/zinc/71/16/54/870711654.db2.gz YAWDCDHZCVTRMB-HNNXBMFYSA-N 2 0 350.467 0.390 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327522053 870923312 /nfs/dbraw/zinc/92/33/12/870923312.db2.gz YYIYWGGNQJHPED-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001327958784 871155598 /nfs/dbraw/zinc/15/55/98/871155598.db2.gz ZOZHVBAJTCJRRC-AEFFLSMTSA-N 2 0 368.499 0.966 20 0 FCADRP CC(C)([NH3+])c1noc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001328490202 871458523 /nfs/dbraw/zinc/45/85/23/871458523.db2.gz LBNDEFMWLGOFMP-OLZOCXBDSA-N 2 0 350.467 0.344 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425404 871833701 /nfs/dbraw/zinc/83/37/01/871833701.db2.gz GCVRIVRYYIJARB-SJORKVTESA-N 2 0 355.527 0.422 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC001347058198 872138808 /nfs/dbraw/zinc/13/88/08/872138808.db2.gz IGMQITAXARDOOF-YOEHRIQHSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001347187299 872208824 /nfs/dbraw/zinc/20/88/24/872208824.db2.gz QESATBOAJOUEEY-NVXWUHKLSA-N 2 0 353.511 0.127 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC(C)C)C[C@@H]1C ZINC001347438701 872334449 /nfs/dbraw/zinc/33/44/49/872334449.db2.gz PANDKHBAMOUWNE-UONOGXRCSA-N 2 0 350.467 0.950 20 0 FCADRP C/C(=C\C(=O)NCC1CC[NH+](C)CC1)C(=O)NCC1CC[NH+](C)CC1 ZINC001347554615 872389038 /nfs/dbraw/zinc/38/90/38/872389038.db2.gz QXHWGWFKDJPHHY-NTCAYCPXSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001330871978 872854888 /nfs/dbraw/zinc/85/48/88/872854888.db2.gz UTXWBDSWJGMIPW-LBPRGKRZSA-N 2 0 356.417 0.709 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC001331415616 873100067 /nfs/dbraw/zinc/10/00/67/873100067.db2.gz KXHGKTSLOVWQCA-AWEZNQCLSA-N 2 0 350.463 0.988 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(Cl)cc1 ZINC001332271793 873429751 /nfs/dbraw/zinc/42/97/51/873429751.db2.gz YTHDVHQTAIAZBT-KKUMJFAQSA-N 2 0 350.850 0.632 20 0 FCADRP [NH3+]CCCCCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332283277 873434764 /nfs/dbraw/zinc/43/47/64/873434764.db2.gz WQSXMAFDYGZEIQ-CVEARBPZSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825855534 947346431 /nfs/dbraw/zinc/34/64/31/947346431.db2.gz HHEWDDRFSMWQGG-LJQANCHMSA-N 2 0 373.505 0.733 20 0 FCADRP C[NH+](C)C[C@@H](O)CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825855062 947346630 /nfs/dbraw/zinc/34/66/30/947346630.db2.gz GLLXKTCKDLHLLQ-KRWDZBQOSA-N 2 0 359.478 0.343 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825855533 947347819 /nfs/dbraw/zinc/34/78/19/947347819.db2.gz HHEWDDRFSMWQGG-IBGZPJMESA-N 2 0 373.505 0.733 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574918293 948839574 /nfs/dbraw/zinc/83/95/74/948839574.db2.gz ILSFBULJJZXZHT-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574918774 948858451 /nfs/dbraw/zinc/85/84/51/948858451.db2.gz QAWLZGNBNMFLSC-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574919401 948878113 /nfs/dbraw/zinc/87/81/13/948878113.db2.gz YPXSVSUSVAJTJJ-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574925487 948974984 /nfs/dbraw/zinc/97/49/84/948974984.db2.gz AMFATSQKSSAMCD-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926123 948986537 /nfs/dbraw/zinc/98/65/37/948986537.db2.gz IWXTVXFXFWGRGU-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575253470 949188998 /nfs/dbraw/zinc/18/89/98/949188998.db2.gz KBZABIYFRPXDCP-NEPJUHHUSA-N 2 0 356.434 0.085 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263593 949403160 /nfs/dbraw/zinc/40/31/60/949403160.db2.gz IHWYWICMFHODOI-CXAGYDPISA-N 2 0 369.473 0.897 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264208 949418894 /nfs/dbraw/zinc/41/88/94/949418894.db2.gz MWRGDUYSARDFMJ-XJKSGUPXSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574731367 950049029 /nfs/dbraw/zinc/04/90/29/950049029.db2.gz CUYDMKSZJDFYAK-YNEHKIRRSA-N 2 0 358.450 0.283 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574740265 950226857 /nfs/dbraw/zinc/22/68/57/950226857.db2.gz DBASHEBUUMPXNL-RDBSUJKOSA-N 2 0 372.477 0.673 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974289 950405225 /nfs/dbraw/zinc/40/52/25/950405225.db2.gz LXCCPSQBBWIVRQ-HZPDHXFCSA-N 2 0 355.446 0.509 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204981 950488588 /nfs/dbraw/zinc/48/85/88/950488588.db2.gz FCKJVCWMTCPNBB-NEPJUHHUSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205478 950517816 /nfs/dbraw/zinc/51/78/16/950517816.db2.gz YZZFCAGBNOAOSZ-QWHCGFSZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208672 950615075 /nfs/dbraw/zinc/61/50/75/950615075.db2.gz RZBMWIZJKIRRSS-NEPJUHHUSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576208948 950621059 /nfs/dbraw/zinc/62/10/59/950621059.db2.gz VNYCADYESDNMEL-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570994464 950962375 /nfs/dbraw/zinc/96/23/75/950962375.db2.gz QJNKMUWBYJIIMP-SWLSCSKDSA-N 2 0 358.450 0.427 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001570996176 951011839 /nfs/dbraw/zinc/01/18/39/951011839.db2.gz OONLDAXGMHUFMF-QGZVFWFLSA-N 2 0 359.478 0.469 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575092905 951794806 /nfs/dbraw/zinc/79/48/06/951794806.db2.gz FSAKULHFGPJRAT-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575093014 951796434 /nfs/dbraw/zinc/79/64/34/951796434.db2.gz GURZKTMQIZMBTR-CJNGLKHVSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099021 951828491 /nfs/dbraw/zinc/82/84/91/951828491.db2.gz HEDLJSUBOADZRL-NEPJUHHUSA-N 2 0 363.491 0.722 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106839 951906523 /nfs/dbraw/zinc/90/65/23/951906523.db2.gz VJAVIAIEMTXCNI-CJNGLKHVSA-N 2 0 357.462 0.660 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575109560 951932050 /nfs/dbraw/zinc/93/20/50/951932050.db2.gz SMSKOZRZGKHHIU-CJNGLKHVSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113890 951949652 /nfs/dbraw/zinc/94/96/52/951949652.db2.gz HRVRBMVUKDFHKD-CJNGLKHVSA-N 2 0 357.462 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064639 951976538 /nfs/dbraw/zinc/97/65/38/951976538.db2.gz WASJUTQFTNXTPT-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078427 952129947 /nfs/dbraw/zinc/12/99/47/952129947.db2.gz QCSFAWPDZVQBHC-UKRRQHHQSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078719 952132294 /nfs/dbraw/zinc/13/22/94/952132294.db2.gz SRIVJZOCXFOQIX-AWEZNQCLSA-N 2 0 370.461 0.751 20 0 FCADRP COC(=O)Cn1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000295142657 214278992 /nfs/dbraw/zinc/27/89/92/214278992.db2.gz IXUBCCLORPLMTE-UHFFFAOYSA-N 2 0 361.446 0.724 20 0 FCADRP C[C@@H](O)C[NH+](CCO)Cc1cc(C[N@@H+](CCO)C[C@@H](C)O)ccc1F ZINC000295256981 214287937 /nfs/dbraw/zinc/28/79/37/214287937.db2.gz XOPYMAONCGVCIQ-HUUCEWRRSA-N 2 0 358.454 0.176 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC[NH+]3CCC(O)CC3)c2)CC1 ZINC000297038117 214376008 /nfs/dbraw/zinc/37/60/08/214376008.db2.gz SPQAGEAPKYUYNI-UHFFFAOYSA-N 2 0 360.502 0.621 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1 ZINC000297265717 214389595 /nfs/dbraw/zinc/38/95/95/214389595.db2.gz PLTPGGSVKKRKGC-HNNXBMFYSA-N 2 0 360.462 0.124 20 0 FCADRP C[NH+](C)C/C=C/C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000265722839 210206139 /nfs/dbraw/zinc/20/61/39/210206139.db2.gz MWVCRYKAHGAMNB-ONEGZZNKSA-N 2 0 360.462 0.080 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000410779296 529798458 /nfs/dbraw/zinc/79/84/58/529798458.db2.gz IQKHBVASEDLQJO-OKZBNKHCSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000410983664 529796640 /nfs/dbraw/zinc/79/66/40/529796640.db2.gz QBTXLZLHKQSMQG-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410841130 529861289 /nfs/dbraw/zinc/86/12/89/529861289.db2.gz GSAAZPDQAQTQHN-PXNSSMCTSA-N 2 0 362.518 0.731 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000410752683 529929440 /nfs/dbraw/zinc/92/94/40/529929440.db2.gz IFBYIGAKTFFCCW-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410969936 529931356 /nfs/dbraw/zinc/93/13/56/529931356.db2.gz FXMYWOUPOCFVLA-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1noc(C)c1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000265546755 210162231 /nfs/dbraw/zinc/16/22/31/210162231.db2.gz PYZFDAANSAMALF-UHFFFAOYSA-N 2 0 353.467 0.962 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC[C@H]21 ZINC000410951730 530064973 /nfs/dbraw/zinc/06/49/73/530064973.db2.gz GDHJMVCSPXIKRI-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719228 530059310 /nfs/dbraw/zinc/05/93/10/530059310.db2.gz NPMHWBUTSIHGQI-FXAWDEMLSA-N 2 0 362.518 0.875 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000331486044 215003248 /nfs/dbraw/zinc/00/32/48/215003248.db2.gz QVDYEAIKIWYWBC-NVXWUHKLSA-N 2 0 366.506 0.251 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCSC1 ZINC000331540165 215011938 /nfs/dbraw/zinc/01/19/38/215011938.db2.gz PKIXURVDXPGELU-CKEIUWERSA-N 2 0 354.520 0.093 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000331541641 215012591 /nfs/dbraw/zinc/01/25/91/215012591.db2.gz FCOBNPUAQOUWRD-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000331547585 215013145 /nfs/dbraw/zinc/01/31/45/215013145.db2.gz BEQFBDMRXUVYQV-GBJTYRQASA-N 2 0 352.479 0.301 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000331547595 215013315 /nfs/dbraw/zinc/01/33/15/215013315.db2.gz BEQFBDMRXUVYQV-YJNKXOJESA-N 2 0 352.479 0.301 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000331602617 215021313 /nfs/dbraw/zinc/02/13/13/215021313.db2.gz ZRZGRAOLSNWCAG-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000331727517 215039936 /nfs/dbraw/zinc/03/99/36/215039936.db2.gz YMMDXBGQXBPMJH-NCOADZHNSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000331797949 215048500 /nfs/dbraw/zinc/04/85/00/215048500.db2.gz LSFIGPBULVUKFZ-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)CC1 ZINC000331794188 215046940 /nfs/dbraw/zinc/04/69/40/215046940.db2.gz OQJLLTBGBJYGDI-IAGOWNOFSA-N 2 0 350.507 0.764 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000331855549 215056774 /nfs/dbraw/zinc/05/67/74/215056774.db2.gz DPQQUNBGCGMSHR-CABCVRRESA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000332128374 215098292 /nfs/dbraw/zinc/09/82/92/215098292.db2.gz HNFHLJHXWPEKOF-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332130897 215099408 /nfs/dbraw/zinc/09/94/08/215099408.db2.gz DTZYUGZRIYDBDV-YESZJQIVSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332511421 215164269 /nfs/dbraw/zinc/16/42/69/215164269.db2.gz DTWJNMJZDXVLRX-NVXWUHKLSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000332533491 215170537 /nfs/dbraw/zinc/17/05/37/215170537.db2.gz RTNUGPDRTOPIFG-BFYDXBDKSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000332538725 215174275 /nfs/dbraw/zinc/17/42/75/215174275.db2.gz JWEHTOAKPGXMLR-NVXWUHKLSA-N 2 0 366.506 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000332537929 215174486 /nfs/dbraw/zinc/17/44/86/215174486.db2.gz VIHSHPWRWZCPKJ-OAGGEKHMSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000332550553 215176819 /nfs/dbraw/zinc/17/68/19/215176819.db2.gz PGVPRZIKBVOWPS-DOTOQJQBSA-N 2 0 366.506 0.001 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000332557187 215178994 /nfs/dbraw/zinc/17/89/94/215178994.db2.gz UHKIAFYAGDYROS-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332624574 215192019 /nfs/dbraw/zinc/19/20/19/215192019.db2.gz RUYSBHZREWRLFJ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C[NH+](C)C)CC1)c(=O)n2C ZINC000332639860 215196933 /nfs/dbraw/zinc/19/69/33/215196933.db2.gz YFJKVGMXWQQVNH-UHFFFAOYSA-N 2 0 362.478 0.097 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332646856 215197360 /nfs/dbraw/zinc/19/73/60/215197360.db2.gz XGDOTRBQVDAJMV-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)C2)CC1 ZINC000332700084 215204739 /nfs/dbraw/zinc/20/47/39/215204739.db2.gz WTYIDINWBGYXID-WBVHZDCISA-N 2 0 350.507 0.764 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000333401806 215275772 /nfs/dbraw/zinc/27/57/72/215275772.db2.gz QBSRVYSVNJINCX-IAGOWNOFSA-N 2 0 365.522 0.570 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000333492693 215287893 /nfs/dbraw/zinc/28/78/93/215287893.db2.gz VCYJGKJPDWIDRK-JKSUJKDBSA-N 2 0 374.489 0.709 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333618510 215302645 /nfs/dbraw/zinc/30/26/45/215302645.db2.gz RIHQFWFSOZTGRT-OWCLPIDISA-N 2 0 350.507 0.871 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000333659231 215306870 /nfs/dbraw/zinc/30/68/70/215306870.db2.gz LHUZSLPCQZHNGR-RCCFBDPRSA-N 2 0 367.538 0.693 20 0 FCADRP C[C@@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000333717717 215311892 /nfs/dbraw/zinc/31/18/92/215311892.db2.gz GEMBWADOTNLXGK-WBVHZDCISA-N 2 0 360.506 0.960 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000333716348 215312872 /nfs/dbraw/zinc/31/28/72/215312872.db2.gz GADPUTQKKOFGFV-SJORKVTESA-N 2 0 358.490 0.869 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000333733811 215314047 /nfs/dbraw/zinc/31/40/47/215314047.db2.gz WOTWDDCFNPRIFX-FRRDWIJNSA-N 2 0 351.417 0.557 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333885992 215328590 /nfs/dbraw/zinc/32/85/90/215328590.db2.gz VWYPWVYNWNWCBS-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333924685 215331863 /nfs/dbraw/zinc/33/18/63/215331863.db2.gz TWXDRMUBEJXMOE-MRXNPFEDSA-N 2 0 354.495 0.699 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCCO1 ZINC000333929088 215332227 /nfs/dbraw/zinc/33/22/27/215332227.db2.gz XZRNSVWLGFPZRA-INIZCTEOSA-N 2 0 354.495 0.781 20 0 FCADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972398 215378057 /nfs/dbraw/zinc/37/80/57/215378057.db2.gz LWBCEXQKLDIDNF-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP COC(=O)CNC(=O)CN(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285416982 213338212 /nfs/dbraw/zinc/33/82/12/213338212.db2.gz JLYHSCOJUGEGLB-UHFFFAOYSA-N 2 0 362.474 0.025 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000284615090 213181603 /nfs/dbraw/zinc/18/16/03/213181603.db2.gz ZHQNKKAFXUDHMH-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000284455755 213143332 /nfs/dbraw/zinc/14/33/32/213143332.db2.gz MXSKPBPXYLSRLA-UHFFFAOYSA-N 2 0 373.501 0.716 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000366776549 216030180 /nfs/dbraw/zinc/03/01/80/216030180.db2.gz MUTJGBFRJILIQK-QGZVFWFLSA-N 2 0 368.522 0.994 20 0 FCADRP C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030317 216066144 /nfs/dbraw/zinc/06/61/44/216066144.db2.gz PYLPXXVQDJZHCM-HOTGVXAUSA-N 2 0 365.522 0.665 20 0 FCADRP CN1CCN(C(=O)CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000367267947 216100186 /nfs/dbraw/zinc/10/01/86/216100186.db2.gz URFQWJBGYSUGKV-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000262058182 209516482 /nfs/dbraw/zinc/51/64/82/209516482.db2.gz RMNQTHXFEZZNEB-MFKMUULPSA-N 2 0 360.384 0.053 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000367648045 216145490 /nfs/dbraw/zinc/14/54/90/216145490.db2.gz DONCYMGSLPTTSO-UHFFFAOYSA-N 2 0 359.536 0.782 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1=O ZINC000246529948 209390339 /nfs/dbraw/zinc/39/03/39/209390339.db2.gz WNABXEBMODNAIL-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410968 209386476 /nfs/dbraw/zinc/38/64/76/209386476.db2.gz BMQMQCGGNYEUEH-DZKIICNBSA-N 2 0 352.479 0.796 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000237173242 209348593 /nfs/dbraw/zinc/34/85/93/209348593.db2.gz GWZXFDVPSHMNGR-MRXNPFEDSA-N 2 0 364.515 0.689 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237952559 209361815 /nfs/dbraw/zinc/36/18/15/209361815.db2.gz MYPHIENRBCIMHI-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237950351 209360701 /nfs/dbraw/zinc/36/07/01/209360701.db2.gz MYPHIENRBCIMHI-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCCN(CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000237800156 209358568 /nfs/dbraw/zinc/35/85/68/209358568.db2.gz FTOIPFDKKUAKPW-SFHVURJKSA-N 2 0 358.486 0.886 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237611538 209355678 /nfs/dbraw/zinc/35/56/78/209355678.db2.gz HUWILIWTDXYFIT-OKILXGFUSA-N 2 0 350.467 0.432 20 0 FCADRP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000237332718 209350834 /nfs/dbraw/zinc/35/08/34/209350834.db2.gz OLOZTAHXJRZCCA-AWEZNQCLSA-N 2 0 368.503 0.094 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000237173161 209349570 /nfs/dbraw/zinc/34/95/70/209349570.db2.gz ALZJCJLPBWLKAL-QGZVFWFLSA-N 2 0 362.474 0.363 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000237171746 209348959 /nfs/dbraw/zinc/34/89/59/209348959.db2.gz RVXYFNWFBCRCBD-QGZVFWFLSA-N 2 0 362.474 0.363 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192153420 209297327 /nfs/dbraw/zinc/29/73/27/209297327.db2.gz DJFUGFYFGJMHLK-UHFFFAOYSA-N 2 0 369.554 0.624 20 0 FCADRP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000368769259 216292745 /nfs/dbraw/zinc/29/27/45/216292745.db2.gz FYNBDYHGMMINLJ-KRWDZBQOSA-N 2 0 352.523 0.808 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000368833507 216305142 /nfs/dbraw/zinc/30/51/42/216305142.db2.gz JVSACJGEJJPOAS-HDICACEKSA-N 2 0 366.550 0.972 20 0 FCADRP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1C/C=C/C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368976319 216326030 /nfs/dbraw/zinc/32/60/30/216326030.db2.gz VLPWRAUKYJJIRT-OEADIOIJSA-N 2 0 360.502 0.714 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369027360 216334909 /nfs/dbraw/zinc/33/49/09/216334909.db2.gz LQLAJICQPSUTOJ-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407902 216398181 /nfs/dbraw/zinc/39/81/81/216398181.db2.gz NSXZGZYNLFDCOI-ZBFHGGJFSA-N 2 0 351.495 0.463 20 0 FCADRP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000369395121 216394966 /nfs/dbraw/zinc/39/49/66/216394966.db2.gz KUPGTBRZVUTSKZ-SFHVURJKSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401138 216396519 /nfs/dbraw/zinc/39/65/19/216396519.db2.gz KQDKZSLROAWSLZ-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000188660681 209233075 /nfs/dbraw/zinc/23/30/75/209233075.db2.gz YESWBIWZRWBCGB-HNNXBMFYSA-N 2 0 364.490 0.939 20 0 FCADRP CN(CC(=O)NC1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188303043 209228340 /nfs/dbraw/zinc/22/83/40/209228340.db2.gz LWLVAICGGYQHTM-FQEVSTJZSA-N 2 0 361.486 0.850 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000186623890 209193628 /nfs/dbraw/zinc/19/36/28/209193628.db2.gz BZPXZVBMKVPFPL-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000275927719 212121391 /nfs/dbraw/zinc/12/13/91/212121391.db2.gz VHDGAMLOPNNOGJ-UHFFFAOYSA-N 2 0 366.462 0.308 20 0 FCADRP C[NH+]1CC[C@@H]2C[NH+](CCOCC[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000931440269 674115033 /nfs/dbraw/zinc/11/50/33/674115033.db2.gz SYNOXTXEDUKCGN-JVSBHGNQSA-N 4 0 350.551 0.770 20 0 FCADRP CN(C[C@@](C)(O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000931482048 674116916 /nfs/dbraw/zinc/11/69/16/674116916.db2.gz ZQNAYTLMULRVOA-QGZVFWFLSA-N 2 0 359.511 0.993 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000414679663 245309465 /nfs/dbraw/zinc/30/94/65/245309465.db2.gz LYVNALWOHHOUGT-HUUCEWRRSA-N 2 0 374.485 0.886 20 0 FCADRP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415197056 245361134 /nfs/dbraw/zinc/36/11/34/245361134.db2.gz TYBXJACNIZEJOV-CQSZACIVSA-N 2 0 360.458 0.450 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@@H+]1C1CC1 ZINC000414946379 245335987 /nfs/dbraw/zinc/33/59/87/245335987.db2.gz TXEYGIQUYKHGDN-IUODEOHRSA-N 2 0 358.442 0.849 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000415258470 245371164 /nfs/dbraw/zinc/37/11/64/245371164.db2.gz SCGZDPASEVQBAL-KRWDZBQOSA-N 2 0 362.474 0.698 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000415285265 245375550 /nfs/dbraw/zinc/37/55/50/245375550.db2.gz RJNYJLZOJGLPQH-UHFFFAOYSA-N 2 0 361.490 0.407 20 0 FCADRP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1)N1CCOCC1 ZINC000415343562 245394106 /nfs/dbraw/zinc/39/41/06/245394106.db2.gz LQJXKIVDQJHBML-LSDHHAIUSA-N 2 0 360.458 0.839 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415339851 245394274 /nfs/dbraw/zinc/39/42/74/245394274.db2.gz CWEXYTWDEMPPMR-LBPRGKRZSA-N 2 0 352.410 0.525 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000415346228 245395151 /nfs/dbraw/zinc/39/51/51/245395151.db2.gz RGUAXRGIKUUYFY-ZDUSSCGKSA-N 2 0 361.446 0.336 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000415364512 245399379 /nfs/dbraw/zinc/39/93/79/245399379.db2.gz SGFULWMZSYJFGM-QGZVFWFLSA-N 2 0 373.501 0.570 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccn1C1CC[NH2+]CC1 ZINC000374524067 217140203 /nfs/dbraw/zinc/14/02/03/217140203.db2.gz UUPCLQOLCGWJDT-OAHLLOKOSA-N 2 0 373.423 0.979 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000374907648 217188734 /nfs/dbraw/zinc/18/87/34/217188734.db2.gz DUWDUCGHZLPWNB-UHFFFAOYSA-N 2 0 365.566 0.641 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183375761 209143618 /nfs/dbraw/zinc/14/36/18/209143618.db2.gz DTOKTRNNFLXFLE-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000182782150 209137430 /nfs/dbraw/zinc/13/74/30/209137430.db2.gz VQDVCZQZLHUPOS-INIZCTEOSA-N 2 0 353.488 0.645 20 0 FCADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)N1CCOCC1 ZINC000182013258 209126251 /nfs/dbraw/zinc/12/62/51/209126251.db2.gz XHUXWGIYIBGAPD-QGZVFWFLSA-N 2 0 362.474 0.196 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000375592407 217289207 /nfs/dbraw/zinc/28/92/07/217289207.db2.gz SHLWFGLEKCTQSN-IBGZPJMESA-N 2 0 365.566 0.817 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030857 245664048 /nfs/dbraw/zinc/66/40/48/245664048.db2.gz PSTIGWITMCEHQI-UONOGXRCSA-N 2 0 365.444 0.996 20 0 FCADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CC12CC[NH2+]CC2 ZINC000375704867 217300667 /nfs/dbraw/zinc/30/06/67/217300667.db2.gz NWZHSPLOFHPYTI-OWCLPIDISA-N 2 0 361.490 0.880 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C3)c2)C1 ZINC000417550104 245706568 /nfs/dbraw/zinc/70/65/68/245706568.db2.gz UMBJUYFTRJICJT-IAGOWNOFSA-N 2 0 359.474 0.545 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417849184 245730371 /nfs/dbraw/zinc/73/03/71/245730371.db2.gz LHHZBFVIPYSQMF-MGPQQGTHSA-N 2 0 365.444 0.995 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418355638 245779995 /nfs/dbraw/zinc/77/99/95/245779995.db2.gz WYRHDXXKQAAMAO-STQMWFEESA-N 2 0 351.417 0.511 20 0 FCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418651153 245812442 /nfs/dbraw/zinc/81/24/42/245812442.db2.gz LDBMIXVWAIJCEY-NVXWUHKLSA-N 2 0 361.490 0.745 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCO1 ZINC000418869752 245878661 /nfs/dbraw/zinc/87/86/61/245878661.db2.gz XHCVEVVBEWKCJH-ROUUACIJSA-N 2 0 374.485 0.516 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418951714 245924899 /nfs/dbraw/zinc/92/48/99/245924899.db2.gz JAENOHMMLBIPTC-JKSUJKDBSA-N 2 0 368.522 0.504 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000418999050 245937775 /nfs/dbraw/zinc/93/77/75/245937775.db2.gz NADJZVISBRPTJJ-BBWFWOEESA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCCCCC1 ZINC000419125177 245999051 /nfs/dbraw/zinc/99/90/51/245999051.db2.gz JKNUTGFDXYPHAD-ZACQAIPSSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)CC(C)C ZINC000419128296 246002526 /nfs/dbraw/zinc/00/25/26/246002526.db2.gz WACGASAVUMWLFB-HZPDHXFCSA-N 2 0 356.511 0.435 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419128589 246003129 /nfs/dbraw/zinc/00/31/29/246003129.db2.gz BGIRAVYJTPUMPW-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419128588 246003326 /nfs/dbraw/zinc/00/33/26/246003326.db2.gz BGIRAVYJTPUMPW-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419130127 246004249 /nfs/dbraw/zinc/00/42/49/246004249.db2.gz AQMCLELXEUIHSR-APWZRJJASA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000419128816 246005077 /nfs/dbraw/zinc/00/50/77/246005077.db2.gz XEGRWUVINYEYJJ-IRXDYDNUSA-N 2 0 367.538 0.008 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131311 246006402 /nfs/dbraw/zinc/00/64/02/246006402.db2.gz CKGGTTGAAGCUIN-GJZGRUSLSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132496 246007871 /nfs/dbraw/zinc/00/78/71/246007871.db2.gz BOGXWHZZSLRYMF-DOTOQJQBSA-N 2 0 362.474 0.247 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000419139436 246011735 /nfs/dbraw/zinc/01/17/35/246011735.db2.gz URSQFAPZGARTDY-QZTJIDSGSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419140813 246013454 /nfs/dbraw/zinc/01/34/54/246013454.db2.gz WECBLDIZJMHPLE-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144909 246013960 /nfs/dbraw/zinc/01/39/60/246013960.db2.gz GZUPEWFPOSLERJ-HUUCEWRRSA-N 2 0 364.515 0.897 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419165476 246028472 /nfs/dbraw/zinc/02/84/72/246028472.db2.gz GLIYTFVIMNWTKV-HOTGVXAUSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169101 246030423 /nfs/dbraw/zinc/03/04/23/246030423.db2.gz UFLORPHMBYKQIV-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176118 246036026 /nfs/dbraw/zinc/03/60/26/246036026.db2.gz YQHLKAHPFDDWNB-WMZOPIPTSA-N 2 0 358.486 0.521 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419183095 246039880 /nfs/dbraw/zinc/03/98/80/246039880.db2.gz DFUFSLWNKPNTEZ-AWEZNQCLSA-N 2 0 362.449 0.727 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419180863 246040053 /nfs/dbraw/zinc/04/00/53/246040053.db2.gz AXCJKJVRAIXUBR-INIZCTEOSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000419186911 246040853 /nfs/dbraw/zinc/04/08/53/246040853.db2.gz FIZCEWNCSNSRGG-WBVHZDCISA-N 2 0 362.474 0.118 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419184921 246042635 /nfs/dbraw/zinc/04/26/35/246042635.db2.gz OMWJAPRAEPEUDP-DLBZAZTESA-N 2 0 366.506 0.394 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419190018 246044818 /nfs/dbraw/zinc/04/48/18/246044818.db2.gz MEPRVUPHNKKRPT-CABCVRRESA-N 2 0 359.474 0.371 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419193840 246045321 /nfs/dbraw/zinc/04/53/21/246045321.db2.gz RKSXPFBDYSLAFV-UHFFFAOYSA-N 2 0 360.502 0.878 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162346 246026400 /nfs/dbraw/zinc/02/64/00/246026400.db2.gz GZYNPTSGSNLZPA-QZTJIDSGSA-N 2 0 374.485 0.343 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419215358 246059654 /nfs/dbraw/zinc/05/96/54/246059654.db2.gz YUASMRWFYNKRHV-CEXWTWQISA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228605 246067317 /nfs/dbraw/zinc/06/73/17/246067317.db2.gz MLVAIFVONPNJSL-RYRKJORJSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419223120 246062261 /nfs/dbraw/zinc/06/22/61/246062261.db2.gz CLCSPKCWMINDTM-DJIMGWMZSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419225190 246065633 /nfs/dbraw/zinc/06/56/33/246065633.db2.gz GRWNGDICVXLCKE-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419230420 246066679 /nfs/dbraw/zinc/06/66/79/246066679.db2.gz PWMVUUBGOGHFEN-FHLIZLRMSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000419199592 246047784 /nfs/dbraw/zinc/04/77/84/246047784.db2.gz DTDVRFORKXRVRH-PBHICJAKSA-N 2 0 362.474 0.439 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000419204703 246053084 /nfs/dbraw/zinc/05/30/84/246053084.db2.gz IYRSRLOCCRKCBJ-UHFFFAOYSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419233884 246070129 /nfs/dbraw/zinc/07/01/29/246070129.db2.gz WVPZNORLGKCKKC-USXIJHARSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419235352 246070175 /nfs/dbraw/zinc/07/01/75/246070175.db2.gz YVQALCBVNNIEJG-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419233993 246072513 /nfs/dbraw/zinc/07/25/13/246072513.db2.gz XCUPAUJDQRHRNF-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000419303647 246091739 /nfs/dbraw/zinc/09/17/39/246091739.db2.gz IDHLNFHLEBUFPE-UHFFFAOYSA-N 2 0 355.389 0.398 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419344878 246107551 /nfs/dbraw/zinc/10/75/51/246107551.db2.gz SMNCOYSZFIRNAY-GJZGRUSLSA-N 2 0 359.474 0.371 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419361640 246118925 /nfs/dbraw/zinc/11/89/25/246118925.db2.gz BDUCTWRRIUQDOI-YJBOKZPZSA-N 2 0 372.513 0.645 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000419369767 246119896 /nfs/dbraw/zinc/11/98/96/246119896.db2.gz GBFZOSBDPQKVPA-OAHLLOKOSA-N 2 0 372.513 0.788 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419378512 246124944 /nfs/dbraw/zinc/12/49/44/246124944.db2.gz VSBVGKUGEXSNIJ-IRXDYDNUSA-N 2 0 352.523 0.975 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419390609 246129462 /nfs/dbraw/zinc/12/94/62/246129462.db2.gz GNECVHSUMMEYCJ-OAHLLOKOSA-N 2 0 350.488 0.137 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419351584 246112946 /nfs/dbraw/zinc/11/29/46/246112946.db2.gz HQPHBZWNMUOGPO-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419412428 246146581 /nfs/dbraw/zinc/14/65/81/246146581.db2.gz REFFMTONEOAEOV-QZTJIDSGSA-N 2 0 358.486 0.793 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419391309 246131152 /nfs/dbraw/zinc/13/11/52/246131152.db2.gz JSOYQVKBTIUVPY-QZTJIDSGSA-N 2 0 374.485 0.126 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399156 246134182 /nfs/dbraw/zinc/13/41/82/246134182.db2.gz JBWGKGFUWGEBDN-BQFCYCMXSA-N 2 0 360.502 0.985 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399704 246135539 /nfs/dbraw/zinc/13/55/39/246135539.db2.gz KEZPGGIMYXJYBO-JCGIZDLHSA-N 2 0 358.486 0.867 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000419404286 246136668 /nfs/dbraw/zinc/13/66/68/246136668.db2.gz FRZLLEBPXRJNTO-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419405794 246139015 /nfs/dbraw/zinc/13/90/15/246139015.db2.gz HXZWRZUAEXNAQI-OTWHNJEPSA-N 2 0 370.497 0.617 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419407137 246139329 /nfs/dbraw/zinc/13/93/29/246139329.db2.gz KCQJMHFYZZWEGU-QAPCUYQASA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419405793 246139732 /nfs/dbraw/zinc/13/97/32/246139732.db2.gz HXZWRZUAEXNAQI-CEXWTWQISA-N 2 0 370.497 0.617 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404620 246139961 /nfs/dbraw/zinc/13/99/61/246139961.db2.gz UDVDWCZNGREINA-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409189 246141094 /nfs/dbraw/zinc/14/10/94/246141094.db2.gz DTRLBMYAWNUULY-PVAVHDDUSA-N 2 0 362.474 0.246 20 0 FCADRP [NH3+]CCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419411996 246143794 /nfs/dbraw/zinc/14/37/94/246143794.db2.gz CLABSKDTVIXGBL-UHFFFAOYSA-N 2 0 361.490 0.170 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419430508 246157881 /nfs/dbraw/zinc/15/78/81/246157881.db2.gz VXPXZAPZYRCJJX-BRWVUGGUSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430822 246158471 /nfs/dbraw/zinc/15/84/71/246158471.db2.gz WEEGFLNAKLGMAT-MAUKXSAKSA-N 2 0 358.486 0.808 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419430908 246159767 /nfs/dbraw/zinc/15/97/67/246159767.db2.gz WPTXBTCGRFHQFG-OAQYLSRUSA-N 2 0 370.497 0.763 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]1 ZINC000419419031 246153015 /nfs/dbraw/zinc/15/30/15/246153015.db2.gz YSHPSUORGHJZLC-DAXOMENPSA-N 2 0 350.438 0.801 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000419528056 246191971 /nfs/dbraw/zinc/19/19/71/246191971.db2.gz VYEXRATZWJCTTF-DLBZAZTESA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470505 246174360 /nfs/dbraw/zinc/17/43/60/246174360.db2.gz FLRXDFROEZVNAS-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419488031 246181148 /nfs/dbraw/zinc/18/11/48/246181148.db2.gz ZQZSGJQNLVJEBK-WNKDZCFJSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419532145 246195730 /nfs/dbraw/zinc/19/57/30/246195730.db2.gz MIDHOYUFUURAKV-YFHUEUNASA-N 2 0 358.486 0.832 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419537715 246195920 /nfs/dbraw/zinc/19/59/20/246195920.db2.gz WECGFHCJWXNHDA-KBAYOESNSA-N 2 0 374.485 0.199 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419539907 246197309 /nfs/dbraw/zinc/19/73/09/246197309.db2.gz QCDDRKPIPLMFFK-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419653487 246231950 /nfs/dbraw/zinc/23/19/50/246231950.db2.gz QWMHQNOCULAUTB-HOCLYGCPSA-N 2 0 362.474 0.418 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000419650359 246230075 /nfs/dbraw/zinc/23/00/75/246230075.db2.gz CVDMDZNQPPPXCI-AITUJVMLSA-N 2 0 370.497 0.976 20 0 FCADRP COc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000419654029 246231146 /nfs/dbraw/zinc/23/11/46/246231146.db2.gz RQOKQOLSZVDMBN-CYBMUJFWSA-N 2 0 366.462 0.640 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C(C)C ZINC000419664397 246237042 /nfs/dbraw/zinc/23/70/42/246237042.db2.gz MESOFXHALIWVCU-LSDHHAIUSA-N 2 0 356.511 0.841 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419667348 246237558 /nfs/dbraw/zinc/23/75/58/246237558.db2.gz RXECUIOLPOAQIV-KRWDZBQOSA-N 2 0 359.474 0.754 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419665701 246238240 /nfs/dbraw/zinc/23/82/40/246238240.db2.gz URXVEGAHHAZJLA-CYGHRXIMSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000419684282 246248274 /nfs/dbraw/zinc/24/82/74/246248274.db2.gz LTBKSUOYWGBFIT-JKSUJKDBSA-N 2 0 366.506 0.333 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419687324 246249657 /nfs/dbraw/zinc/24/96/57/246249657.db2.gz DOLLNDBWDZSIMX-HUUCEWRRSA-N 2 0 368.547 0.660 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419694028 246254720 /nfs/dbraw/zinc/25/47/20/246254720.db2.gz OVTIWZCMVWDWNO-HUUCEWRRSA-N 2 0 368.547 0.850 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419703465 246259656 /nfs/dbraw/zinc/25/96/56/246259656.db2.gz DHEPOEIPNFXXCA-LMSBXDPUSA-N 2 0 358.486 0.961 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419705927 246261025 /nfs/dbraw/zinc/26/10/25/246261025.db2.gz BSSNLVKQHSJJMX-CRAIPNDOSA-N 2 0 360.502 0.911 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000419711932 246263392 /nfs/dbraw/zinc/26/33/92/246263392.db2.gz OFESVEXVAKRILA-GOSISDBHSA-N 2 0 360.502 0.865 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419748753 246282413 /nfs/dbraw/zinc/28/24/13/246282413.db2.gz OZVGCPKLRBWKCU-HNNXBMFYSA-N 2 0 374.485 0.080 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCCC2)CC1 ZINC000419752626 246282986 /nfs/dbraw/zinc/28/29/86/246282986.db2.gz MPEVRUNPUPOXAZ-UHFFFAOYSA-N 2 0 354.495 0.380 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419753645 246283017 /nfs/dbraw/zinc/28/30/17/246283017.db2.gz OBQQTXYFAKWFOT-CQSZACIVSA-N 2 0 356.511 0.626 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419753644 246283988 /nfs/dbraw/zinc/28/39/88/246283988.db2.gz OBQQTXYFAKWFOT-AWEZNQCLSA-N 2 0 356.511 0.626 20 0 FCADRP CN(C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000419764785 246289544 /nfs/dbraw/zinc/28/95/44/246289544.db2.gz WVRPLLGEEIHNKQ-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760812 246289748 /nfs/dbraw/zinc/28/97/48/246289748.db2.gz OHNPWCDROOPMPC-HOTGVXAUSA-N 2 0 350.438 0.760 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000419778215 246293390 /nfs/dbraw/zinc/29/33/90/246293390.db2.gz OHANXDMOKLTSPR-RRFJBIMHSA-N 2 0 354.495 0.188 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419801188 246299774 /nfs/dbraw/zinc/29/97/74/246299774.db2.gz AUUALRALBUAZKB-KRWDZBQOSA-N 2 0 360.458 0.380 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000419804722 246301425 /nfs/dbraw/zinc/30/14/25/246301425.db2.gz OSUIFDBUOHKHSE-HUUCEWRRSA-N 2 0 354.495 0.380 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000419804281 246301931 /nfs/dbraw/zinc/30/19/31/246301931.db2.gz CYGOBEJAJAMGRB-MRXNPFEDSA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000419809049 246303221 /nfs/dbraw/zinc/30/32/21/246303221.db2.gz HBJHZFGYXGPIEI-SFHVURJKSA-N 2 0 374.485 0.898 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419730722 246274392 /nfs/dbraw/zinc/27/43/92/246274392.db2.gz QBIJBBWVJWUKRR-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419828299 246307661 /nfs/dbraw/zinc/30/76/61/246307661.db2.gz URAASRREOAZROA-PBHICJAKSA-N 2 0 362.474 0.659 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419837648 246311915 /nfs/dbraw/zinc/31/19/15/246311915.db2.gz WXBLKEPRVUNTOM-IRXDYDNUSA-N 2 0 369.554 0.208 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419924891 246370994 /nfs/dbraw/zinc/37/09/94/246370994.db2.gz NQLFTAKVFBOSCA-MOPGFXCFSA-N 2 0 370.497 0.835 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000419931383 246375987 /nfs/dbraw/zinc/37/59/87/246375987.db2.gz PDMWYCDNHNJNPV-FUHWJXTLSA-N 2 0 374.485 0.373 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000419876875 246343940 /nfs/dbraw/zinc/34/39/40/246343940.db2.gz PZQWJXSBCVNDGN-QGZVFWFLSA-N 2 0 361.490 0.620 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419876820 246344002 /nfs/dbraw/zinc/34/40/02/246344002.db2.gz IHCLZYQLPDNQHG-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419889179 246352239 /nfs/dbraw/zinc/35/22/39/246352239.db2.gz GSZRCENDAOPTBM-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000419891770 246354626 /nfs/dbraw/zinc/35/46/26/246354626.db2.gz NMZUDJRVBXRHMG-YESZJQIVSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419900125 246359462 /nfs/dbraw/zinc/35/94/62/246359462.db2.gz QKECJIZRPXIMFI-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419905941 246362004 /nfs/dbraw/zinc/36/20/04/246362004.db2.gz XYPQNPFIEACXLU-YQQAZPJKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419945029 246381173 /nfs/dbraw/zinc/38/11/73/246381173.db2.gz BWPMGHCGVNXXCN-DOTOQJQBSA-N 2 0 361.490 0.606 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419971426 246395303 /nfs/dbraw/zinc/39/53/03/246395303.db2.gz WRLPCUUVIFZCKU-HLLBOEOZSA-N 2 0 368.522 0.626 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420023855 246421367 /nfs/dbraw/zinc/42/13/67/246421367.db2.gz XREJYGKYQFFONR-ZACQAIPSSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000422265041 246766468 /nfs/dbraw/zinc/76/64/68/246766468.db2.gz JFTZWOQVHGVZCJ-HNNXBMFYSA-N 2 0 366.514 0.293 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000423368366 247014253 /nfs/dbraw/zinc/01/42/53/247014253.db2.gz NDMVHUDERLDHBA-OAHLLOKOSA-N 2 0 350.463 0.628 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423414231 247022258 /nfs/dbraw/zinc/02/22/58/247022258.db2.gz MHNUTWRUJPMUSQ-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn(CCCC[NH3+])nn2)Cc2ccccc2C1 ZINC000423421359 247023007 /nfs/dbraw/zinc/02/30/07/247023007.db2.gz KHXIPWFYMDOACV-UHFFFAOYSA-N 2 0 356.474 0.846 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530550 247044453 /nfs/dbraw/zinc/04/44/53/247044453.db2.gz PPSHROWYMNRVNV-IRXDYDNUSA-N 2 0 367.538 0.199 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423566858 247055091 /nfs/dbraw/zinc/05/50/91/247055091.db2.gz CJCKXLSVHNHXHC-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423583236 247062558 /nfs/dbraw/zinc/06/25/58/247062558.db2.gz BVNRUXDIISABCI-QGZVFWFLSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccccc2OC)CC1 ZINC000423598146 247068034 /nfs/dbraw/zinc/06/80/34/247068034.db2.gz VXKWNGHTTQJHCL-QGZVFWFLSA-N 2 0 374.485 0.550 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000423467673 247033370 /nfs/dbraw/zinc/03/33/70/247033370.db2.gz BMYUFPWRAXJVAE-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423471410 247033404 /nfs/dbraw/zinc/03/34/04/247033404.db2.gz WXFDWOSWGYFXNV-FUHWJXTLSA-N 2 0 358.486 0.917 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000423481404 247034679 /nfs/dbraw/zinc/03/46/79/247034679.db2.gz QKNBIGHQKSEVLO-UHFFFAOYSA-N 2 0 362.474 0.535 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1[NH3+] ZINC000423475572 247035366 /nfs/dbraw/zinc/03/53/66/247035366.db2.gz QBCUGDYJBZNFFY-CRAIPNDOSA-N 2 0 373.501 0.952 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423610752 247075562 /nfs/dbraw/zinc/07/55/62/247075562.db2.gz NLRDJUKPOKBCTL-CQSZACIVSA-N 2 0 352.504 0.706 20 0 FCADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645530 247089228 /nfs/dbraw/zinc/08/92/28/247089228.db2.gz KUUDUMIVVHFIRE-OTWHNJEPSA-N 2 0 370.497 0.917 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000423647456 247090936 /nfs/dbraw/zinc/09/09/36/247090936.db2.gz HYUDHVBEPZENME-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423652411 247094802 /nfs/dbraw/zinc/09/48/02/247094802.db2.gz UQWOPSKOTZCYFS-NXHRZFHOSA-N 2 0 356.470 0.397 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771359 247139306 /nfs/dbraw/zinc/13/93/06/247139306.db2.gz FVZUSZWEJWFNQX-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861484 247145943 /nfs/dbraw/zinc/14/59/43/247145943.db2.gz COADEDWUFXKXFT-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423718945 247124116 /nfs/dbraw/zinc/12/41/16/247124116.db2.gz LZXMYIQTNQDSAM-JXFKEZNVSA-N 2 0 358.486 0.917 20 0 FCADRP CCN1C[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000424017740 247159872 /nfs/dbraw/zinc/15/98/72/247159872.db2.gz HEARSJVHNPPTEW-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000423725476 247128382 /nfs/dbraw/zinc/12/83/82/247128382.db2.gz IZMJNMKLCKSNAT-ARFHVFGLSA-N 2 0 359.536 0.861 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423738403 247132612 /nfs/dbraw/zinc/13/26/12/247132612.db2.gz QKGCVEAPYYHPMB-RDJZCZTQSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423738401 247133809 /nfs/dbraw/zinc/13/38/09/247133809.db2.gz QKGCVEAPYYHPMB-DOTOQJQBSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000423743364 247135868 /nfs/dbraw/zinc/13/58/68/247135868.db2.gz LRBKBUWZPKKDTQ-QXCFHYIPSA-N 2 0 370.497 0.773 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424300558 247195858 /nfs/dbraw/zinc/19/58/58/247195858.db2.gz WSISJAJWVLZFNG-OAHLLOKOSA-N 2 0 360.506 0.676 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218259 247178706 /nfs/dbraw/zinc/17/87/06/247178706.db2.gz RUYCWEAZDKMWAX-RCCFBDPRSA-N 2 0 356.470 0.588 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424495007 247239831 /nfs/dbraw/zinc/23/98/31/247239831.db2.gz OYUUMMIPHLPZSN-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424522059 247251602 /nfs/dbraw/zinc/25/16/02/247251602.db2.gz MMWAZTHZVUYVNU-HOTGVXAUSA-N 2 0 366.506 0.204 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000424457006 247225108 /nfs/dbraw/zinc/22/51/08/247225108.db2.gz QNRXVZJEBLXHQI-MRXNPFEDSA-N 2 0 374.485 0.963 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000424456567 247225703 /nfs/dbraw/zinc/22/57/03/247225703.db2.gz PQVUZMUANSPHTH-QGZVFWFLSA-N 2 0 362.474 0.745 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000424460438 247227510 /nfs/dbraw/zinc/22/75/10/247227510.db2.gz YOBRBOOTSMLZMS-UHFFFAOYSA-N 2 0 361.490 0.534 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425405941 247336312 /nfs/dbraw/zinc/33/63/12/247336312.db2.gz RRAXVQOYXCPTOQ-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)C1=O ZINC000425314554 247320340 /nfs/dbraw/zinc/32/03/40/247320340.db2.gz VGCFDRNFPPEURD-MOPGFXCFSA-N 2 0 372.513 0.971 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428513994 247590541 /nfs/dbraw/zinc/59/05/41/247590541.db2.gz ZUXAYWIAXHYCNO-CHWSQXEVSA-N 2 0 354.476 0.735 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000436350612 248038835 /nfs/dbraw/zinc/03/88/35/248038835.db2.gz WICJNEOREMJYNY-MRXNPFEDSA-N 2 0 358.527 0.831 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438881318 248099862 /nfs/dbraw/zinc/09/98/62/248099862.db2.gz BHZJFLZAILJJJK-PBHICJAKSA-N 2 0 371.485 0.741 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2)C1 ZINC000444168294 248349410 /nfs/dbraw/zinc/34/94/10/248349410.db2.gz NNBZSYOKNCJHFL-LVCYWYKZSA-N 2 0 370.497 1.000 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000445935879 248380440 /nfs/dbraw/zinc/38/04/40/248380440.db2.gz USVTZBOFJMNUCF-UHFFFAOYSA-N 2 0 363.462 0.535 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000459921868 249791284 /nfs/dbraw/zinc/79/12/84/249791284.db2.gz PPEUGRYETRVVPX-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000468802678 249937714 /nfs/dbraw/zinc/93/77/14/249937714.db2.gz CPXDBFSTUXIQJQ-HNNXBMFYSA-N 2 0 362.474 0.976 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470964224 250082842 /nfs/dbraw/zinc/08/28/42/250082842.db2.gz VUQDUICXLNKERD-YJBOKZPZSA-N 2 0 350.507 0.729 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000471534636 250105165 /nfs/dbraw/zinc/10/51/65/250105165.db2.gz AROMQNKIEDLRDM-UHFFFAOYSA-N 2 0 370.538 0.974 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)c1 ZINC000471645339 250111038 /nfs/dbraw/zinc/11/10/38/250111038.db2.gz FCMSTOVBLFQYMY-UHFFFAOYSA-N 2 0 351.451 0.500 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472277347 250143651 /nfs/dbraw/zinc/14/36/51/250143651.db2.gz MYXSSENVHSKXBC-KRWDZBQOSA-N 2 0 354.495 0.110 20 0 FCADRP C[NH+](C)CCOCCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000473727728 250247981 /nfs/dbraw/zinc/24/79/81/250247981.db2.gz XZPADTVUUSKRDB-UHFFFAOYSA-N 2 0 351.451 0.547 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000480886905 250292416 /nfs/dbraw/zinc/29/24/16/250292416.db2.gz VPNATHGBKDTDEO-INIZCTEOSA-N 2 0 370.538 0.650 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480943511 250298664 /nfs/dbraw/zinc/29/86/64/250298664.db2.gz XSTPXJRPUNDFSO-BRWVUGGUSA-N 2 0 370.538 0.506 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000481023056 250308741 /nfs/dbraw/zinc/30/87/41/250308741.db2.gz ZZQXVPALAPVUHP-QKPAOTATSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCN(C)CC1 ZINC000481697201 250350191 /nfs/dbraw/zinc/35/01/91/250350191.db2.gz PHWOLYJXRARBCK-NVXWUHKLSA-N 2 0 357.568 0.606 20 0 FCADRP CN1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000481290038 250330084 /nfs/dbraw/zinc/33/00/84/250330084.db2.gz JEVJLONRSFAWBF-QGZVFWFLSA-N 2 0 374.489 0.514 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879241 250370307 /nfs/dbraw/zinc/37/03/07/250370307.db2.gz NDRSWWXIWMNJEH-HZPDHXFCSA-N 2 0 368.522 0.044 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[N@H+](C)C1 ZINC000413079065 532988997 /nfs/dbraw/zinc/98/89/97/532988997.db2.gz UIFMDSQDGUPNCX-OAHLLOKOSA-N 2 0 354.495 0.853 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000106124966 208210256 /nfs/dbraw/zinc/21/02/56/208210256.db2.gz KPBZGWXXHCLBOX-CVEARBPZSA-N 2 0 368.522 0.090 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112213485 208289492 /nfs/dbraw/zinc/28/94/92/208289492.db2.gz BNUFKDUDEMISGT-KRWDZBQOSA-N 2 0 356.511 0.709 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000118093939 208348864 /nfs/dbraw/zinc/34/88/64/208348864.db2.gz VODZSQAMGWOLHI-UHFFFAOYSA-N 2 0 364.515 0.894 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000266700622 210384919 /nfs/dbraw/zinc/38/49/19/210384919.db2.gz RTTMCXPOZZHRFC-UHFFFAOYSA-N 2 0 364.490 0.814 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000246768470 209397898 /nfs/dbraw/zinc/39/78/98/209397898.db2.gz HZRHPKAUHSWLHJ-ZACQAIPSSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)O1 ZINC000177343088 209020883 /nfs/dbraw/zinc/02/08/83/209020883.db2.gz WGJZYAAQEVGVTN-IAGOWNOFSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC000177411853 209023133 /nfs/dbraw/zinc/02/31/33/209023133.db2.gz QWMNTDFHXPXMMS-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000188216791 229248406 /nfs/dbraw/zinc/24/84/06/229248406.db2.gz BTPSLVXXVANPRB-UHFFFAOYSA-N 2 0 350.467 0.326 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000377763069 230002867 /nfs/dbraw/zinc/00/28/67/230002867.db2.gz RIRMYZAPERKAOI-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410432869 230077481 /nfs/dbraw/zinc/07/74/81/230077481.db2.gz KNTLUIUWQISHCP-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000410494330 230101687 /nfs/dbraw/zinc/10/16/87/230101687.db2.gz PXCGSPQMEPXTTM-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410718908 230211773 /nfs/dbraw/zinc/21/17/73/230211773.db2.gz ZYQMORSEZWVVEQ-QZTJIDSGSA-N 2 0 360.502 0.936 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000933475574 674258741 /nfs/dbraw/zinc/25/87/41/674258741.db2.gz INNZNZOJAXBDMB-OAHLLOKOSA-N 2 0 350.467 0.372 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000505002195 484098873 /nfs/dbraw/zinc/09/88/73/484098873.db2.gz DSIPLZYMAQMYCJ-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000532596210 484201346 /nfs/dbraw/zinc/20/13/46/484201346.db2.gz OBKFLGQNSUREPI-UHFFFAOYSA-N 2 0 350.467 0.326 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000508994160 484303454 /nfs/dbraw/zinc/30/34/54/484303454.db2.gz CMSLAPFZJRMPBO-AWEZNQCLSA-N 2 0 350.467 0.374 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363788969 488885284 /nfs/dbraw/zinc/88/52/84/488885284.db2.gz DGXHZAKAUKQROZ-OAHLLOKOSA-N 2 0 353.511 0.570 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000288011529 488932461 /nfs/dbraw/zinc/93/24/61/488932461.db2.gz BYSFTPUFSJETOF-ZDUSSCGKSA-N 2 0 350.467 0.545 20 0 FCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364204239 488934860 /nfs/dbraw/zinc/93/48/60/488934860.db2.gz WUPOGYKQJQENPU-ZYSHUDEJSA-N 2 0 361.486 0.583 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000364278336 488942666 /nfs/dbraw/zinc/94/26/66/488942666.db2.gz INXUKEMLXUFTQK-VAMGGRTRSA-N 2 0 374.529 0.937 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000288122353 488946585 /nfs/dbraw/zinc/94/65/85/488946585.db2.gz JHSHKKFEVXQKEP-QGZVFWFLSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000562823160 491193137 /nfs/dbraw/zinc/19/31/37/491193137.db2.gz SXJWNPSTYRNBAG-LSDHHAIUSA-N 2 0 352.866 0.912 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000073253780 488384181 /nfs/dbraw/zinc/38/41/81/488384181.db2.gz KBLXJVSOWPNRRJ-CQSZACIVSA-N 2 0 354.414 0.806 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327386 488384405 /nfs/dbraw/zinc/38/44/05/488384405.db2.gz GTJPGPYSTOCVAH-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667266 488385649 /nfs/dbraw/zinc/38/56/49/488385649.db2.gz UJCVBHTUAMTGRM-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000074098168 488387455 /nfs/dbraw/zinc/38/74/55/488387455.db2.gz CWKNAZKHOWNPDS-ZACQAIPSSA-N 2 0 353.511 0.032 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000074345303 488390677 /nfs/dbraw/zinc/39/06/77/488390677.db2.gz CXHHBBAABGQIDG-GJZGRUSLSA-N 2 0 351.495 0.357 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000183394535 488392342 /nfs/dbraw/zinc/39/23/42/488392342.db2.gz QTKNRALPZRNPQT-UHFFFAOYSA-N 2 0 368.570 0.291 20 0 FCADRP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000186343008 488406302 /nfs/dbraw/zinc/40/63/02/488406302.db2.gz GWHPJLJTHSWASA-OAHLLOKOSA-N 2 0 351.495 0.960 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2oc1=O ZINC000077823620 488418366 /nfs/dbraw/zinc/41/83/66/488418366.db2.gz ULKKACJRYUNYIK-UHFFFAOYSA-N 2 0 363.462 0.729 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000077836433 488418833 /nfs/dbraw/zinc/41/88/33/488418833.db2.gz QYCPFKCYYQWCRW-HOTGVXAUSA-N 2 0 355.527 0.911 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@H](C)C1 ZINC000192814334 488424528 /nfs/dbraw/zinc/42/45/28/488424528.db2.gz AYMOGGHGGZDHCB-IAGOWNOFSA-N 2 0 364.490 0.311 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCN(Cc3cccnc3)CC2)CC1 ZINC000193419174 488427378 /nfs/dbraw/zinc/42/73/78/488427378.db2.gz WBZFTHZHHSBGAX-UHFFFAOYSA-N 2 0 374.489 0.073 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193709855 488429205 /nfs/dbraw/zinc/42/92/05/488429205.db2.gz QSZXSEXNKHHJFY-UHFFFAOYSA-N 2 0 351.495 0.370 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000081248115 488440256 /nfs/dbraw/zinc/44/02/56/488440256.db2.gz MYROBYFSNOSZJP-LSDHHAIUSA-N 2 0 352.504 0.877 20 0 FCADRP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000084599647 488450067 /nfs/dbraw/zinc/45/00/67/488450067.db2.gz QQEDNWMWFQGROL-UHFFFAOYSA-N 2 0 374.507 0.404 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236650650 488453209 /nfs/dbraw/zinc/45/32/09/488453209.db2.gz WZWLYRFBOTUZGC-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cn2)CC1 ZINC000236999098 488453682 /nfs/dbraw/zinc/45/36/82/488453682.db2.gz WIGDVWQGXBBTPE-QGZVFWFLSA-N 2 0 361.490 0.608 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CN3CCNCC3=O)cc2)C[C@H](C)O1 ZINC000237630498 488456074 /nfs/dbraw/zinc/45/60/74/488456074.db2.gz FSNHOKPYWKIKRF-HOTGVXAUSA-N 2 0 374.485 0.344 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000246122373 488470130 /nfs/dbraw/zinc/47/01/30/488470130.db2.gz HJPIHTGQUBXOLD-TWMKSMIVSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000246347856 488472190 /nfs/dbraw/zinc/47/21/90/488472190.db2.gz FJFKLDAFIHBWGS-QZTJIDSGSA-N 2 0 370.538 0.689 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092924215 488477647 /nfs/dbraw/zinc/47/76/47/488477647.db2.gz YEWDALCPPKESDN-CYBMUJFWSA-N 2 0 356.434 0.163 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000093256704 488479222 /nfs/dbraw/zinc/47/92/22/488479222.db2.gz XFMZUTQMTRJAEQ-UHFFFAOYSA-N 2 0 354.539 0.831 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256431 488483278 /nfs/dbraw/zinc/48/32/78/488483278.db2.gz SLTVLRKYRSLZOU-DOTOQJQBSA-N 2 0 360.458 0.701 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000102049776 488497106 /nfs/dbraw/zinc/49/71/06/488497106.db2.gz PIOZWNRWZLCFEX-RDJZCZTQSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000103213288 488500938 /nfs/dbraw/zinc/50/09/38/488500938.db2.gz KZAAXNUOWJALRT-UHFFFAOYSA-N 2 0 374.482 0.763 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000103576701 488502558 /nfs/dbraw/zinc/50/25/58/488502558.db2.gz YIEVYTBCGQAKFD-QGZVFWFLSA-N 2 0 367.538 0.914 20 0 FCADRP CNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000104532873 488504587 /nfs/dbraw/zinc/50/45/87/488504587.db2.gz NLMQZQHBICXSMZ-UHFFFAOYSA-N 2 0 356.492 0.160 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000104805413 488505672 /nfs/dbraw/zinc/50/56/72/488505672.db2.gz PQVYYECDOLCMJV-UHFFFAOYSA-N 2 0 365.522 0.810 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C1CC1 ZINC000105223198 488507935 /nfs/dbraw/zinc/50/79/35/488507935.db2.gz PFMWSRGGEPBAND-GDBMZVCRSA-N 2 0 353.511 0.711 20 0 FCADRP O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108562672 488519564 /nfs/dbraw/zinc/51/95/64/488519564.db2.gz VAHDOHDWVBVXGA-SJLPKXTDSA-N 2 0 368.547 0.978 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1=O ZINC000261610562 488526849 /nfs/dbraw/zinc/52/68/49/488526849.db2.gz BWMXGVRIMZSGBE-KURKYZTESA-N 2 0 358.486 0.597 20 0 FCADRP COc1cc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000261626423 488527788 /nfs/dbraw/zinc/52/77/88/488527788.db2.gz GVZNMXGCVDVJTB-CYBMUJFWSA-N 2 0 351.447 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@@H](C)O1 ZINC000261695171 488531548 /nfs/dbraw/zinc/53/15/48/488531548.db2.gz DHTIZAFCVJDYNW-VQHPVUNQSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)NCC[NH+]1CCCCC1 ZINC000114581214 488540859 /nfs/dbraw/zinc/54/08/59/488540859.db2.gz KPEXHSITANPEAT-UHFFFAOYSA-N 2 0 355.527 0.162 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000114602553 488541867 /nfs/dbraw/zinc/54/18/67/488541867.db2.gz CTHMHNIHKCGPFK-GOSISDBHSA-N 2 0 367.538 0.256 20 0 FCADRP O=C(CC[NH+]1CCN(c2ncnc3sccc32)CC1)N1CC[NH2+]CC1 ZINC000261981830 488544535 /nfs/dbraw/zinc/54/45/35/488544535.db2.gz CCYGPOBUWQFWNM-UHFFFAOYSA-N 2 0 360.487 0.635 20 0 FCADRP O=C(CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1)N1CC[NH2+]CC1 ZINC000261992181 488545008 /nfs/dbraw/zinc/54/50/08/488545008.db2.gz CXCMLFBWXFBHED-UHFFFAOYSA-N 2 0 356.474 0.274 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000115816792 488545895 /nfs/dbraw/zinc/54/58/95/488545895.db2.gz FAJDOKIZPSAGPY-DLBZAZTESA-N 2 0 367.538 0.912 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000262098754 488549978 /nfs/dbraw/zinc/54/99/78/488549978.db2.gz SPVNQQHPODHFOG-HNNXBMFYSA-N 2 0 368.503 0.224 20 0 FCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NCc1ccc(F)cc1 ZINC000262185922 488555977 /nfs/dbraw/zinc/55/59/77/488555977.db2.gz RGZFPMRKDGXWFI-UHFFFAOYSA-N 2 0 350.438 0.586 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCCCC1 ZINC000120164800 488560048 /nfs/dbraw/zinc/56/00/48/488560048.db2.gz FGAAJMRQGGVAST-HNNXBMFYSA-N 2 0 364.494 0.621 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000262274171 488560955 /nfs/dbraw/zinc/56/09/55/488560955.db2.gz YRGTUPPUHFRWSK-IAGOWNOFSA-N 3 0 352.523 0.630 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646555 488562352 /nfs/dbraw/zinc/56/23/52/488562352.db2.gz NVBPVBXDCHMXOA-IAGOWNOFSA-N 2 0 353.511 0.665 20 0 FCADRP C[N@H+](CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000120765143 488563116 /nfs/dbraw/zinc/56/31/16/488563116.db2.gz XPZAVERRSYOSPS-INIZCTEOSA-N 2 0 363.531 0.887 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000121824264 488571831 /nfs/dbraw/zinc/57/18/31/488571831.db2.gz MJXYOEMWOSYEDP-GOSISDBHSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nc[nH]n1 ZINC000272299995 488571946 /nfs/dbraw/zinc/57/19/46/488571946.db2.gz CXPLYVYKDYLMTG-CQSZACIVSA-N 2 0 358.450 0.772 20 0 FCADRP COCC[NH2+]CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262632289 488583297 /nfs/dbraw/zinc/58/32/97/488583297.db2.gz FVOIBGUDVJMAQK-QGZVFWFLSA-N 2 0 362.474 0.236 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1(C)C ZINC000262803269 488594569 /nfs/dbraw/zinc/59/45/69/488594569.db2.gz RQYJLXJHVUKVHU-GPMSIDNRSA-N 2 0 354.539 0.909 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000563060860 491211342 /nfs/dbraw/zinc/21/13/42/491211342.db2.gz LZHGFJRHBURDFT-INIZCTEOSA-N 2 0 372.473 0.901 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000557346367 491369122 /nfs/dbraw/zinc/36/91/22/491369122.db2.gz HVDMHRRAXXTDBE-KRWDZBQOSA-N 2 0 369.554 0.175 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000563060861 491211367 /nfs/dbraw/zinc/21/13/67/491211367.db2.gz LZHGFJRHBURDFT-MRXNPFEDSA-N 2 0 372.473 0.901 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000263226034 488606725 /nfs/dbraw/zinc/60/67/25/488606725.db2.gz GNGIDLXUPVBFQZ-JZXOWHBKSA-N 2 0 367.538 0.103 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000128181117 488622607 /nfs/dbraw/zinc/62/26/07/488622607.db2.gz LGZWTAIZJGIFLQ-HOCLYGCPSA-N 2 0 357.462 0.900 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130660769 488639405 /nfs/dbraw/zinc/63/94/05/488639405.db2.gz SEZHQXQRYVKCBM-HOTGVXAUSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554573291 491210343 /nfs/dbraw/zinc/21/03/43/491210343.db2.gz WWCNDDNNYMQIJW-DLBZAZTESA-N 2 0 355.527 0.111 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000134030188 488663757 /nfs/dbraw/zinc/66/37/57/488663757.db2.gz CUWLFURKIOKSHO-IAGOWNOFSA-N 2 0 370.563 0.335 20 0 FCADRP C[N@H+](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCSC1 ZINC000136256624 488677008 /nfs/dbraw/zinc/67/70/08/488677008.db2.gz INTRPBWDBMBVLV-INIZCTEOSA-N 2 0 363.531 0.887 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccn1 ZINC000136447397 488677580 /nfs/dbraw/zinc/67/75/80/488677580.db2.gz DSAOTFXDJRMPQW-UHFFFAOYSA-N 2 0 350.463 0.864 20 0 FCADRP CC[NH+](C)CCNC(=O)Cc1ccc(CC(=O)NCC[N@@H+](C)CC)cc1 ZINC000274106020 488683570 /nfs/dbraw/zinc/68/35/70/488683570.db2.gz YDGHODBRWONALQ-UHFFFAOYSA-N 2 0 362.518 0.907 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713902 488702042 /nfs/dbraw/zinc/70/20/42/488702042.db2.gz DZDJYBJGPWQBOZ-SJLPKXTDSA-N 2 0 363.506 0.843 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000151208807 488702971 /nfs/dbraw/zinc/70/29/71/488702971.db2.gz OHHUKTUPMACPEA-HOTGVXAUSA-N 2 0 356.511 0.584 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])c(C(F)(F)F)c2)CC1 ZINC000274474060 488711874 /nfs/dbraw/zinc/71/18/74/488711874.db2.gz YFGWYDAMLLJFAY-UHFFFAOYSA-N 2 0 373.379 0.471 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c[nH]1 ZINC000266253613 488726917 /nfs/dbraw/zinc/72/69/17/488726917.db2.gz XGIVVMJGVLNYPL-UHFFFAOYSA-N 2 0 374.507 0.695 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154025834 488737608 /nfs/dbraw/zinc/73/76/08/488737608.db2.gz JYGVWMMSYWOXLU-HNNXBMFYSA-N 2 0 364.494 0.574 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000154161467 488739322 /nfs/dbraw/zinc/73/93/22/488739322.db2.gz AANXGUQBMAPBIZ-UHFFFAOYSA-N 2 0 356.511 0.585 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1C=C[C@H](CO)C1 ZINC000267111837 488762234 /nfs/dbraw/zinc/76/22/34/488762234.db2.gz XUDVHSKYXDPDNR-DLBZAZTESA-N 2 0 359.474 0.830 20 0 FCADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125375 488762392 /nfs/dbraw/zinc/76/23/92/488762392.db2.gz OLSGNXIGYHTLFN-SJORKVTESA-N 2 0 360.506 0.835 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000157379765 488771083 /nfs/dbraw/zinc/77/10/83/488771083.db2.gz APSMOZCHVUYQKY-QGZVFWFLSA-N 2 0 365.522 0.714 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000267319878 488777471 /nfs/dbraw/zinc/77/74/71/488777471.db2.gz NAUFUWBATFJDSZ-MRXNPFEDSA-N 2 0 361.490 0.357 20 0 FCADRP Cc1c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000164286763 488810142 /nfs/dbraw/zinc/81/01/42/488810142.db2.gz LBMVWLOCZQGXSM-OKILXGFUSA-N 2 0 364.494 0.740 20 0 FCADRP COC1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]CC1 ZINC000166619596 488811961 /nfs/dbraw/zinc/81/19/61/488811961.db2.gz DWKQILHNALTKJK-UHFFFAOYSA-N 2 0 362.430 0.863 20 0 FCADRP C[C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167410614 488812223 /nfs/dbraw/zinc/81/22/23/488812223.db2.gz CROWUYSIROGSED-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168097985 488812520 /nfs/dbraw/zinc/81/25/20/488812520.db2.gz DFQNYYFEWNXYNU-RBUKOAKNSA-N 2 0 361.486 0.927 20 0 FCADRP O=C(NCCN1CCN(c2ncccn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903020 488828152 /nfs/dbraw/zinc/82/81/52/488828152.db2.gz TXSUOUGWBCYTCV-MRXNPFEDSA-N 2 0 359.478 0.088 20 0 FCADRP Cc1oc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000268086408 488838825 /nfs/dbraw/zinc/83/88/25/488838825.db2.gz HXERRRMVGWSMSQ-UHFFFAOYSA-N 2 0 374.507 0.581 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000173487786 488843201 /nfs/dbraw/zinc/84/32/01/488843201.db2.gz OVWUNKLGBUVSPI-MSOLQXFVSA-N 2 0 369.554 0.526 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000174500064 488849511 /nfs/dbraw/zinc/84/95/11/488849511.db2.gz PXERICONMHBQNW-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000174785344 488851173 /nfs/dbraw/zinc/85/11/73/488851173.db2.gz RMSYBLRTPDHULK-SJORKVTESA-N 2 0 355.527 0.375 20 0 FCADRP Cc1c(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnn1C ZINC000176575420 488858447 /nfs/dbraw/zinc/85/84/47/488858447.db2.gz YNLHSHHSTCMFLC-UHFFFAOYSA-N 2 0 352.483 0.399 20 0 FCADRP C[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000178001904 488860024 /nfs/dbraw/zinc/86/00/24/488860024.db2.gz APUSKCXCSFROJJ-HXUWFJFHSA-N 2 0 359.470 0.722 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181057813 488862979 /nfs/dbraw/zinc/86/29/79/488862979.db2.gz SBNVPGNDIZMODJ-GJZGRUSLSA-N 2 0 352.479 0.750 20 0 FCADRP COC(=O)CCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181101276 488862993 /nfs/dbraw/zinc/86/29/93/488862993.db2.gz LRGURPWLHDSERT-QLFBSQMISA-N 2 0 352.479 0.890 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000279972988 488977838 /nfs/dbraw/zinc/97/78/38/488977838.db2.gz YDHRFUZYDKXJSB-CYBMUJFWSA-N 2 0 353.492 0.317 20 0 FCADRP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000329277136 488988804 /nfs/dbraw/zinc/98/88/04/488988804.db2.gz JEDPBRPIVQUMGH-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c1 ZINC000563203013 491226873 /nfs/dbraw/zinc/22/68/73/491226873.db2.gz QYNGNFNNRFSBPD-LJQANCHMSA-N 2 0 359.518 0.608 20 0 FCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389220 488999805 /nfs/dbraw/zinc/99/98/05/488999805.db2.gz UJCHWUDEZNBRRY-UONOGXRCSA-N 2 0 362.478 0.238 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280828698 489033966 /nfs/dbraw/zinc/03/39/66/489033966.db2.gz VSUJYWCIOKEBOC-MDYRTPRTSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1C1CC1 ZINC000289036033 489037773 /nfs/dbraw/zinc/03/77/73/489037773.db2.gz WHMNWSKZZKNFLV-CABCVRRESA-N 2 0 362.474 0.911 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCc2ccn3ccnc3c2)CCCO1 ZINC000289254592 489053207 /nfs/dbraw/zinc/05/32/07/489053207.db2.gz QHMYDZHIALBJKI-HNNXBMFYSA-N 2 0 373.457 0.568 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570283048 491230381 /nfs/dbraw/zinc/23/03/81/491230381.db2.gz KFHXBNIHFWRYJW-INIZCTEOSA-N 2 0 363.510 0.178 20 0 FCADRP C[C@H]([C@H](C)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCOCC1 ZINC000365327478 489064143 /nfs/dbraw/zinc/06/41/43/489064143.db2.gz OUEAZKVJEKXLGQ-RCCFBDPRSA-N 2 0 367.538 0.517 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000554911747 491231858 /nfs/dbraw/zinc/23/18/58/491231858.db2.gz IZURDYGOHJPFAW-MRXNPFEDSA-N 3 0 369.554 0.175 20 0 FCADRP CCN1CCO[C@H](C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000365695683 489101300 /nfs/dbraw/zinc/10/13/00/489101300.db2.gz KPPWOXSGYLVEQB-SFHVURJKSA-N 2 0 365.474 0.973 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000366242773 489162130 /nfs/dbraw/zinc/16/21/30/489162130.db2.gz CADJHMLISAAPJB-SJORKVTESA-N 2 0 356.511 0.897 20 0 FCADRP CO[C@H]1COC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290792629 489165744 /nfs/dbraw/zinc/16/57/44/489165744.db2.gz OFIKWDJTQAGFDE-IRXDYDNUSA-N 2 0 363.462 0.307 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000331381223 489204193 /nfs/dbraw/zinc/20/41/93/489204193.db2.gz FNPUZAHQJSCVGP-PBHICJAKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000331404166 489207137 /nfs/dbraw/zinc/20/71/37/489207137.db2.gz PVIHYPOQNCYIMY-QZWWFDLISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000331431157 489209979 /nfs/dbraw/zinc/20/99/79/489209979.db2.gz AHNSJSYVIRKKOL-JKSUJKDBSA-N 2 0 366.506 0.156 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000331433008 489210881 /nfs/dbraw/zinc/21/08/81/489210881.db2.gz MMTXFKIWTLWPNJ-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000297604517 489213369 /nfs/dbraw/zinc/21/33/69/489213369.db2.gz BSBZEEFCPZCPOE-MRXNPFEDSA-N 2 0 364.490 0.970 20 0 FCADRP CCN1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000297620855 489214803 /nfs/dbraw/zinc/21/48/03/489214803.db2.gz VXCDVKXGYWMKDA-UHFFFAOYSA-N 2 0 350.463 0.724 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000332484698 489219318 /nfs/dbraw/zinc/21/93/18/489219318.db2.gz APULVVVHPITFCZ-MRXNPFEDSA-N 2 0 360.506 0.787 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCN(C)CC1 ZINC000332782723 489229776 /nfs/dbraw/zinc/22/97/76/489229776.db2.gz ZJUMZUKYPNCOID-BPQIPLTHSA-N 2 0 352.523 0.506 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H](C)N1CCOCC1 ZINC000332977569 489253409 /nfs/dbraw/zinc/25/34/09/489253409.db2.gz ISRRHRJMDPHRNA-CWLKWCNXSA-N 2 0 368.522 0.773 20 0 FCADRP CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCOCC1 ZINC000332981226 489253743 /nfs/dbraw/zinc/25/37/43/489253743.db2.gz NLZCYCMSHVZAGU-DLBZAZTESA-N 2 0 368.522 0.774 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501424 489267211 /nfs/dbraw/zinc/26/72/11/489267211.db2.gz PPORNQPCPUQHQT-GUDVDZBRSA-N 2 0 370.497 0.930 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000283507259 489267940 /nfs/dbraw/zinc/26/79/40/489267940.db2.gz PWMBOEOENXOATR-INIZCTEOSA-N 2 0 350.463 0.434 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540517 489272525 /nfs/dbraw/zinc/27/25/25/489272525.db2.gz RSIUZZUDNFEEDV-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000563454179 491248822 /nfs/dbraw/zinc/24/88/22/491248822.db2.gz JLKGOFCIXFHIEU-UHFFFAOYSA-N 2 0 362.474 0.067 20 0 FCADRP CCCN(CC)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000285923231 489334376 /nfs/dbraw/zinc/33/43/76/489334376.db2.gz KWYFJJQGCVMJDD-UHFFFAOYSA-N 2 0 361.490 0.968 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000298547127 489336316 /nfs/dbraw/zinc/33/63/16/489336316.db2.gz KQTMQSRDLAZVSU-UHFFFAOYSA-N 2 0 352.454 0.736 20 0 FCADRP NC(=O)NC(=O)CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286001622 489344199 /nfs/dbraw/zinc/34/41/99/489344199.db2.gz OVVZHQXVIDCGNH-SFHVURJKSA-N 2 0 373.501 0.854 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000286078413 489353324 /nfs/dbraw/zinc/35/33/24/489353324.db2.gz YRXLSROIURBVKQ-UHFFFAOYSA-N 2 0 369.469 0.961 20 0 FCADRP CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000298724241 489357427 /nfs/dbraw/zinc/35/74/27/489357427.db2.gz WVZJDRWGOSNOEC-XHSDSOJGSA-N 2 0 366.510 0.374 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000370516802 489369469 /nfs/dbraw/zinc/36/94/69/489369469.db2.gz CEJPYQQZSYSKRY-GOSISDBHSA-N 2 0 353.507 0.935 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)c1 ZINC000286437189 489391362 /nfs/dbraw/zinc/39/13/62/489391362.db2.gz HQXMIKFCIBDEHH-AWEZNQCLSA-N 2 0 363.462 0.195 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362705195 489393561 /nfs/dbraw/zinc/39/35/61/489393561.db2.gz WRNZURPBTRMBDB-FQEVSTJZSA-N 2 0 371.529 0.705 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000370735792 489394978 /nfs/dbraw/zinc/39/49/78/489394978.db2.gz ZQSDLFIIGYBBPL-DJIMGWMZSA-N 2 0 363.506 0.417 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000570616932 491253324 /nfs/dbraw/zinc/25/33/24/491253324.db2.gz ZDLWKCHOTAHATJ-KRWDZBQOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000286603175 489408782 /nfs/dbraw/zinc/40/87/82/489408782.db2.gz XGRVTBDYXXDEOG-HNNXBMFYSA-N 2 0 361.490 0.871 20 0 FCADRP C[N@H+](C[C@H](O)CNCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253903 /nfs/dbraw/zinc/25/39/03/491253903.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 2 0 374.529 0.929 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000286791076 489429343 /nfs/dbraw/zinc/42/93/43/489429343.db2.gz VRFXDIVODFGQET-UHFFFAOYSA-N 2 0 364.490 0.306 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183137 489434986 /nfs/dbraw/zinc/43/49/86/489434986.db2.gz OHRZHFBACJNJLA-QZTJIDSGSA-N 2 0 366.506 0.603 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063924 489447360 /nfs/dbraw/zinc/44/73/60/489447360.db2.gz NDTXIPDVSMSRRJ-IAGOWNOFSA-N 2 0 352.479 0.356 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000363301590 489449207 /nfs/dbraw/zinc/44/92/07/489449207.db2.gz AGXKHUZPHCHTTQ-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423083683 489491852 /nfs/dbraw/zinc/49/18/52/489491852.db2.gz GICKHXBWTDQIFS-KRWDZBQOSA-N 2 0 368.522 0.389 20 0 FCADRP COC[C@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423096170 489492475 /nfs/dbraw/zinc/49/24/75/489492475.db2.gz HDDVOALTZMKNQO-LBPRGKRZSA-N 2 0 351.419 0.587 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423094937 489492621 /nfs/dbraw/zinc/49/26/21/489492621.db2.gz LALWWPZPZFPUSX-INIZCTEOSA-N 2 0 364.465 0.926 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000423094079 489492861 /nfs/dbraw/zinc/49/28/61/489492861.db2.gz JGKFAQNKDFRBIN-WMLDXEAASA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423094938 489493078 /nfs/dbraw/zinc/49/30/78/489493078.db2.gz LALWWPZPZFPUSX-MRXNPFEDSA-N 2 0 364.465 0.926 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596247 491257083 /nfs/dbraw/zinc/25/70/83/491257083.db2.gz MOKXNSXQMZLHOT-JKSUJKDBSA-N 2 0 353.511 0.618 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162990 489498081 /nfs/dbraw/zinc/49/80/81/489498081.db2.gz LZXRPDOBPXPPDD-IAGOWNOFSA-N 2 0 359.474 0.454 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423169487 489498970 /nfs/dbraw/zinc/49/89/70/489498970.db2.gz WAFZFZYMSKTBJV-HOCLYGCPSA-N 2 0 364.465 0.912 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)o1 ZINC000423173146 489499521 /nfs/dbraw/zinc/49/95/21/489499521.db2.gz XDUWKMPZOBETGG-HOTGVXAUSA-N 2 0 362.474 0.546 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423171162 489499544 /nfs/dbraw/zinc/49/95/44/489499544.db2.gz ZNVIWNFFYCIDDJ-SJLPKXTDSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423199121 489501528 /nfs/dbraw/zinc/50/15/28/489501528.db2.gz JCLRPZBEHVDTID-SFHVURJKSA-N 2 0 374.485 0.296 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423206279 489503047 /nfs/dbraw/zinc/50/30/47/489503047.db2.gz QGUGKPGYTPBORB-UHFFFAOYSA-N 2 0 350.438 0.666 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423212133 489503569 /nfs/dbraw/zinc/50/35/69/489503569.db2.gz LQHXLVYAVSVKJI-JYJNAYRXSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423218411 489503885 /nfs/dbraw/zinc/50/38/85/489503885.db2.gz VLGQAFKFCUUVEJ-CALCHBBNSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423217986 489504235 /nfs/dbraw/zinc/50/42/35/489504235.db2.gz TVZUZAQJXKWCME-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423219157 489504731 /nfs/dbraw/zinc/50/47/31/489504731.db2.gz WHAUAGSTYGLOSW-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000423231497 489505629 /nfs/dbraw/zinc/50/56/29/489505629.db2.gz LJEPSXQLVMGLQT-SFHVURJKSA-N 2 0 358.486 0.713 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC000423258180 489507753 /nfs/dbraw/zinc/50/77/53/489507753.db2.gz LNIJENXSHFJBBJ-GOSISDBHSA-N 2 0 360.502 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423268676 489509123 /nfs/dbraw/zinc/50/91/23/489509123.db2.gz VBUYNPBZWAFEKI-MRXNPFEDSA-N 2 0 358.486 0.930 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000423284000 489511551 /nfs/dbraw/zinc/51/15/51/489511551.db2.gz XWUMOCMMXRAJOO-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423300244 489512877 /nfs/dbraw/zinc/51/28/77/489512877.db2.gz CWGJJMDVMNJTAO-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000415393912 489517401 /nfs/dbraw/zinc/51/74/01/489517401.db2.gz LMICRLXVBKIKSP-OAHLLOKOSA-N 2 0 362.474 0.942 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CCCC2)CC1 ZINC000570720498 491260405 /nfs/dbraw/zinc/26/04/05/491260405.db2.gz GBFROUOBHCEUNC-LSDHHAIUSA-N 2 0 368.522 0.768 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC[NH2+]1 ZINC000415436642 489521075 /nfs/dbraw/zinc/52/10/75/489521075.db2.gz OREPGHQEQXREDU-LBPRGKRZSA-N 2 0 352.410 0.525 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000415462713 489523176 /nfs/dbraw/zinc/52/31/76/489523176.db2.gz AKDROVSZRWMFJI-CYBMUJFWSA-N 2 0 352.410 0.654 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415498887 489525811 /nfs/dbraw/zinc/52/58/11/489525811.db2.gz QMGZKQZPTSCBFW-AWEZNQCLSA-N 2 0 366.437 0.915 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415515744 489526538 /nfs/dbraw/zinc/52/65/38/489526538.db2.gz DQRPHIIOYJHYOV-QWHCGFSZSA-N 2 0 366.437 0.900 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)c2)CC1 ZINC000415542239 489527744 /nfs/dbraw/zinc/52/77/44/489527744.db2.gz PPIMFJRBBBZWLU-JKSUJKDBSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000415539520 489527919 /nfs/dbraw/zinc/52/79/19/489527919.db2.gz MJPPXFREVUUPRB-QGZVFWFLSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C)C[NH2+]1 ZINC000415577737 489532703 /nfs/dbraw/zinc/53/27/03/489532703.db2.gz ZCXSHJJNXZFQSM-HZPDHXFCSA-N 2 0 373.501 0.581 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843528 489533284 /nfs/dbraw/zinc/53/32/84/489533284.db2.gz JIFUIQVVDHRCDS-GJZGRUSLSA-N 2 0 367.494 0.191 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000425882445 489539334 /nfs/dbraw/zinc/53/93/34/489539334.db2.gz DRKKHESCUXAKQA-HUUCEWRRSA-N 2 0 366.506 0.297 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425881620 489539380 /nfs/dbraw/zinc/53/93/80/489539380.db2.gz CWBCTEKLLURZOQ-HOCLYGCPSA-N 2 0 366.506 0.155 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000425882441 489539693 /nfs/dbraw/zinc/53/96/93/489539693.db2.gz DRKKHESCUXAKQA-CABCVRRESA-N 2 0 366.506 0.297 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415709473 489543912 /nfs/dbraw/zinc/54/39/12/489543912.db2.gz PKKGWVXJSDBRFZ-KRWDZBQOSA-N 2 0 373.501 0.501 20 0 FCADRP Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000563667406 491261747 /nfs/dbraw/zinc/26/17/47/491261747.db2.gz RSNKYVNADBTETG-OAHLLOKOSA-N 2 0 356.492 0.987 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415729515 489547306 /nfs/dbraw/zinc/54/73/06/489547306.db2.gz CIONZOOITVVVDT-UHFFFAOYSA-N 2 0 373.501 0.894 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415753679 489550069 /nfs/dbraw/zinc/55/00/69/489550069.db2.gz YYCZWZMGIXQBNY-CABCVRRESA-N 2 0 360.458 0.633 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC[NH+](C)C ZINC000415753487 489550197 /nfs/dbraw/zinc/55/01/97/489550197.db2.gz YMNADQNYNCJIBT-HOTGVXAUSA-N 2 0 374.485 0.942 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)c2)CC1 ZINC000415810105 489554099 /nfs/dbraw/zinc/55/40/99/489554099.db2.gz NSQWJPABUIIKOR-UHFFFAOYSA-N 2 0 359.474 0.715 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426108340 489555191 /nfs/dbraw/zinc/55/51/91/489555191.db2.gz HNOYVGKXFYEQNR-LBPRGKRZSA-N 2 0 364.412 0.587 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCO1 ZINC000415858429 489560022 /nfs/dbraw/zinc/56/00/22/489560022.db2.gz JPVQNLOFLJHFKO-SFHVURJKSA-N 2 0 374.485 0.840 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000415859985 489560331 /nfs/dbraw/zinc/56/03/31/489560331.db2.gz UTGUVSNWRZVUED-KRWDZBQOSA-N 2 0 361.490 0.487 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415868709 489562303 /nfs/dbraw/zinc/56/23/03/489562303.db2.gz QSFQWWHZBHWEEC-KRWDZBQOSA-N 2 0 360.458 0.716 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416010423 489567563 /nfs/dbraw/zinc/56/75/63/489567563.db2.gz QFLBOAICGODCRQ-LBPRGKRZSA-N 2 0 367.416 0.462 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000416054953 489568516 /nfs/dbraw/zinc/56/85/16/489568516.db2.gz XERPFGIUBGYSPU-CABCVRRESA-N 2 0 374.407 0.985 20 0 FCADRP Cc1cccc([C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312363 489569331 /nfs/dbraw/zinc/56/93/31/489569331.db2.gz WFIXUFFERHHICF-WOJBJXKFSA-N 2 0 372.513 0.874 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454641941 489574468 /nfs/dbraw/zinc/57/44/68/489574468.db2.gz FPDGUYHMHMRZRA-HRCADAONSA-N 2 0 351.495 0.275 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426572306 489575540 /nfs/dbraw/zinc/57/55/40/489575540.db2.gz BCVFIFXNOZZMFO-IAGOWNOFSA-N 2 0 356.511 0.584 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000454999335 489584589 /nfs/dbraw/zinc/58/45/89/489584589.db2.gz LXQVUCPQZFPWBN-KRWDZBQOSA-N 2 0 356.511 0.851 20 0 FCADRP C[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000455663961 489598287 /nfs/dbraw/zinc/59/82/87/489598287.db2.gz YQQLCBQUVUOBLR-CQSZACIVSA-N 2 0 352.483 0.754 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC1 ZINC000427307967 489601873 /nfs/dbraw/zinc/60/18/73/489601873.db2.gz KVRVQDWXHFKCPP-UHFFFAOYSA-N 2 0 362.478 0.689 20 0 FCADRP O=C(CC(=O)NCC1CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000427454913 489608483 /nfs/dbraw/zinc/60/84/83/489608483.db2.gz FVLROZUECPNEQK-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000570817823 491266576 /nfs/dbraw/zinc/26/65/76/491266576.db2.gz HTFWKJXMGCGOEU-HNNXBMFYSA-N 2 0 368.547 0.662 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416831352 489631475 /nfs/dbraw/zinc/63/14/75/489631475.db2.gz BBRGEVSVELNMRQ-ROUUACIJSA-N 2 0 373.501 0.757 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@@H](C)O1 ZINC000416948869 489635491 /nfs/dbraw/zinc/63/54/91/489635491.db2.gz QEJGFGSGUYEUHR-BRWVUGGUSA-N 2 0 368.522 0.883 20 0 FCADRP COC[C@@]1(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000416957876 489636201 /nfs/dbraw/zinc/63/62/01/489636201.db2.gz OKSBEKJBZSRSDP-AEFFLSMTSA-N 2 0 355.527 0.326 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000417006884 489637805 /nfs/dbraw/zinc/63/78/05/489637805.db2.gz GHBUBDBRJKKTGX-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417140741 489643300 /nfs/dbraw/zinc/64/33/00/489643300.db2.gz QMKIJEYKWBLZQU-ARFHVFGLSA-N 2 0 351.495 0.642 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417285880 489646230 /nfs/dbraw/zinc/64/62/30/489646230.db2.gz IEDZNQILWWKPOR-CHWSQXEVSA-N 2 0 353.433 0.852 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000555730133 491268479 /nfs/dbraw/zinc/26/84/79/491268479.db2.gz KYSOSDJYAWEQFB-DLBZAZTESA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515859 489647902 /nfs/dbraw/zinc/64/79/02/489647902.db2.gz NLLUCSDJRJNJFI-DLBZAZTESA-N 2 0 356.511 0.489 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417378732 489650625 /nfs/dbraw/zinc/65/06/25/489650625.db2.gz FLONJCJIWGZKDB-ZWKOTPCHSA-N 3 0 372.517 0.845 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417429041 489652344 /nfs/dbraw/zinc/65/23/44/489652344.db2.gz MPDJOKRUNDFJAC-OAGGEKHMSA-N 2 0 353.511 0.746 20 0 FCADRP CC[N@H+](CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417428406 489652538 /nfs/dbraw/zinc/65/25/38/489652538.db2.gz KXLZTMVLEQUJHO-ZDUSSCGKSA-N 2 0 351.417 0.606 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417433074 489653247 /nfs/dbraw/zinc/65/32/47/489653247.db2.gz UWSUKCIHBPNQGV-QAETUUGQSA-N 2 0 365.522 0.698 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417436227 489653615 /nfs/dbraw/zinc/65/36/15/489653615.db2.gz ZNDKBLUWZNFWHD-YJBOKZPZSA-N 2 0 353.511 0.618 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H]1C ZINC000417472013 489655317 /nfs/dbraw/zinc/65/53/17/489655317.db2.gz HZJGTSBDOGDOIT-HUUCEWRRSA-N 2 0 361.490 0.870 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511061 489656874 /nfs/dbraw/zinc/65/68/74/489656874.db2.gz YDWWEYHASKFFJY-LJQANCHMSA-N 2 0 359.518 0.755 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H]3CCC[NH2+]3)c2)C1 ZINC000417544386 489657812 /nfs/dbraw/zinc/65/78/12/489657812.db2.gz HMINVMVVRBUTGK-ZWKOTPCHSA-N 2 0 373.501 0.935 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417548608 489658005 /nfs/dbraw/zinc/65/80/05/489658005.db2.gz RCPODZONOXUCDZ-IRXDYDNUSA-N 2 0 361.490 0.920 20 0 FCADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C[NH3+])C1 ZINC000417558633 489658062 /nfs/dbraw/zinc/65/80/62/489658062.db2.gz FYOLGGUQIXVLDY-ZBFHGGJFSA-N 2 0 353.511 0.698 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000417557597 489658325 /nfs/dbraw/zinc/65/83/25/489658325.db2.gz CCUSPMDFXSPFFJ-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417579601 489658821 /nfs/dbraw/zinc/65/88/21/489658821.db2.gz BAODMCFSAVIWJG-JZXOWHBKSA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417582425 489659171 /nfs/dbraw/zinc/65/91/71/489659171.db2.gz IAUWCVFCIGADGA-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000417761484 489664633 /nfs/dbraw/zinc/66/46/33/489664633.db2.gz ZFAUYZSTGIIGFF-AGIUHOORSA-N 2 0 351.417 0.604 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000417846145 489668620 /nfs/dbraw/zinc/66/86/20/489668620.db2.gz PONNWEVSQSMWOJ-HNNXBMFYSA-N 2 0 367.538 0.912 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417858177 489669036 /nfs/dbraw/zinc/66/90/36/489669036.db2.gz UUVSFUPGXWSOPC-KONPQCLYSA-N 2 0 365.522 0.805 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417858173 489669158 /nfs/dbraw/zinc/66/91/58/489669158.db2.gz UUVSFUPGXWSOPC-HPFXQQBRSA-N 2 0 365.522 0.805 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417896893 489670049 /nfs/dbraw/zinc/67/00/49/489670049.db2.gz WFZULCDLYAZMSJ-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458193291 489673705 /nfs/dbraw/zinc/67/37/05/489673705.db2.gz FPGCPXRHDCMVGD-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)CCC(F)(F)F ZINC000418077905 489677719 /nfs/dbraw/zinc/67/77/19/489677719.db2.gz MVKIOPPOYOGFNY-CQSZACIVSA-N 2 0 365.444 0.950 20 0 FCADRP CC[N@H+](CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)CCC(F)(F)F ZINC000418077316 489678102 /nfs/dbraw/zinc/67/81/02/489678102.db2.gz LNIQISPAXAVAOG-AWEZNQCLSA-N 2 0 365.444 0.950 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458407336 489681263 /nfs/dbraw/zinc/68/12/63/489681263.db2.gz CXONAICMKDYUQO-HZPDHXFCSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000418172949 489682480 /nfs/dbraw/zinc/68/24/80/489682480.db2.gz BMAPYGXUVFMDFW-AKBNIOSXSA-N 2 0 365.522 0.839 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426998 489682998 /nfs/dbraw/zinc/68/29/98/489682998.db2.gz NQXHOUWODYWLCF-JKSUJKDBSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823305 491271260 /nfs/dbraw/zinc/27/12/60/491271260.db2.gz YOLVFAWBMSXNQS-XOSAIJSUSA-N 2 0 363.506 0.593 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCCCC1 ZINC000418297224 489689025 /nfs/dbraw/zinc/68/90/25/489689025.db2.gz NIPCHUOECONGCH-ZBFHGGJFSA-N 2 0 351.495 0.594 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000429682568 489696773 /nfs/dbraw/zinc/69/67/73/489696773.db2.gz ZBDPPUWRUFHLBJ-RTBURBONSA-N 2 0 365.566 0.641 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442208 489698242 /nfs/dbraw/zinc/69/82/42/489698242.db2.gz JGVOMFDSHWPXNY-HOTGVXAUSA-N 2 0 369.510 0.078 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(C)c1C ZINC000489242873 489702843 /nfs/dbraw/zinc/70/28/43/489702843.db2.gz UIBKSGWNHXSECO-OAHLLOKOSA-N 2 0 357.524 0.765 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836200 491272451 /nfs/dbraw/zinc/27/24/51/491272451.db2.gz NDUVYELWSUEIQR-VYDXJSESSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]C1 ZINC000418559714 489706774 /nfs/dbraw/zinc/70/67/74/489706774.db2.gz YCILVWOGPMBLIC-TZMCWYRMSA-N 2 0 351.417 0.511 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000418567922 489707670 /nfs/dbraw/zinc/70/76/70/489707670.db2.gz XCTGOTWHJCRDKY-YQVWRLOYSA-N 2 0 364.490 0.753 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418608442 489709400 /nfs/dbraw/zinc/70/94/00/489709400.db2.gz DSYVENOEUUVEEG-ZDUSSCGKSA-N 2 0 365.444 0.996 20 0 FCADRP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000563849109 491272777 /nfs/dbraw/zinc/27/27/77/491272777.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 2 0 371.533 0.816 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609335 489709818 /nfs/dbraw/zinc/70/98/18/489709818.db2.gz FHGSIMYPZJSFKB-RDBSUJKOSA-N 2 0 365.444 0.804 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627340 489712840 /nfs/dbraw/zinc/71/28/40/489712840.db2.gz AVZIZKZUFHASBD-IEBWSBKVSA-N 3 0 369.554 0.813 20 0 FCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418638171 489714406 /nfs/dbraw/zinc/71/44/06/489714406.db2.gz OJKWBKCMHRIEQC-IBGZPJMESA-N 2 0 369.554 0.814 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000570918586 491273461 /nfs/dbraw/zinc/27/34/61/491273461.db2.gz DUOPPCGOVWKDCX-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418644659 489715438 /nfs/dbraw/zinc/71/54/38/489715438.db2.gz QLVXUHMXHGAEMA-VYDXJSESSA-N 2 0 365.522 0.711 20 0 FCADRP CCC[C@H]1CN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418660018 489716748 /nfs/dbraw/zinc/71/67/48/489716748.db2.gz WRLFDAXVVRCHGB-WMZOPIPTSA-N 2 0 356.511 0.897 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418663641 489716841 /nfs/dbraw/zinc/71/68/41/489716841.db2.gz HCZDQTJDZJTSRQ-QAQDUYKDSA-N 2 0 367.538 0.947 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418691288 489718072 /nfs/dbraw/zinc/71/80/72/489718072.db2.gz YBVALTRTGUFCOC-FGTMMUONSA-N 2 0 373.501 0.771 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132437 489719269 /nfs/dbraw/zinc/71/92/69/489719269.db2.gz IOEYTCHPHMFSDW-MAUKXSAKSA-N 2 0 353.511 0.713 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000489608274 489720119 /nfs/dbraw/zinc/72/01/19/489720119.db2.gz UCNITYCHGFRXJH-HRCADAONSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000418725766 489720303 /nfs/dbraw/zinc/72/03/03/489720303.db2.gz PAPSWPAOWBRCRW-PMPSAXMXSA-N 2 0 355.527 0.896 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000570928568 491274203 /nfs/dbraw/zinc/27/42/03/491274203.db2.gz PMTHUBOTGZGZBL-SFHVURJKSA-N 2 0 368.522 0.437 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459277769 489725483 /nfs/dbraw/zinc/72/54/83/489725483.db2.gz AYUCNSPURMVFCB-JKSUJKDBSA-N 2 0 354.495 0.997 20 0 FCADRP NC(=O)C1([NH2+]CCOCC[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000489718582 489725529 /nfs/dbraw/zinc/72/55/29/489725529.db2.gz YYHSWMACRLKRTF-UHFFFAOYSA-N 2 0 354.495 0.559 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000418791668 489727688 /nfs/dbraw/zinc/72/76/88/489727688.db2.gz OCEMDHIOVCDYOZ-OTWHNJEPSA-N 2 0 374.485 0.660 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418794666 489728551 /nfs/dbraw/zinc/72/85/51/489728551.db2.gz RKXUVMUFCNHHGI-HKUYNNGSSA-N 2 0 362.474 0.301 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418793859 489728640 /nfs/dbraw/zinc/72/86/40/489728640.db2.gz ATGRJJUPMQSNIA-UHFFFAOYSA-N 2 0 354.495 0.239 20 0 FCADRP [NH3+]CCNC(=O)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000418806837 489732210 /nfs/dbraw/zinc/73/22/10/489732210.db2.gz OYWVREOFFZNASL-UHFFFAOYSA-N 2 0 360.502 0.912 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418808133 489732591 /nfs/dbraw/zinc/73/25/91/489732591.db2.gz QNNGQOAZFMPBFT-MRXNPFEDSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@@H]1NC(=O)N(CC[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000459467808 489733687 /nfs/dbraw/zinc/73/36/87/489733687.db2.gz QJIXYEOGXUBEFA-KRWDZBQOSA-N 2 0 373.501 0.676 20 0 FCADRP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485756 489734353 /nfs/dbraw/zinc/73/43/53/489734353.db2.gz UADYTACUYIVBKU-BZSNNMDCSA-N 2 0 354.539 0.874 20 0 FCADRP [NH3+]CCCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418812236 489734699 /nfs/dbraw/zinc/73/46/99/489734699.db2.gz WXNSXYROLNPCAY-UHFFFAOYSA-N 2 0 354.495 0.240 20 0 FCADRP CON1CCC([NH+](C)CC2(C[N@@H+](C)C3CCN(OC)CC3)COC2)CC1 ZINC000459581655 489739719 /nfs/dbraw/zinc/73/97/19/489739719.db2.gz PFGUPYUELRYHIZ-UHFFFAOYSA-N 2 0 370.538 0.918 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418827161 489742216 /nfs/dbraw/zinc/74/22/16/489742216.db2.gz BWOLIOXIKQJJFY-WBVHZDCISA-N 2 0 374.485 0.756 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccs1 ZINC000418829432 489743624 /nfs/dbraw/zinc/74/36/24/489743624.db2.gz IWFZCBPUOZINJV-MGPQQGTHSA-N 2 0 350.488 0.535 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831553 489744817 /nfs/dbraw/zinc/74/48/17/489744817.db2.gz GPXDHIYLAHGEAY-MSOLQXFVSA-N 2 0 360.502 0.909 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCCC1 ZINC000418833236 489745779 /nfs/dbraw/zinc/74/57/79/489745779.db2.gz HYIYLPNQAOTFKX-WBVHZDCISA-N 2 0 374.485 0.769 20 0 FCADRP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)C[NH3+] ZINC000430551839 489745937 /nfs/dbraw/zinc/74/59/37/489745937.db2.gz JEYIPHMVKXFPCU-UHFFFAOYSA-N 2 0 370.519 0.300 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000430553446 489746222 /nfs/dbraw/zinc/74/62/22/489746222.db2.gz OUVWKLVCCZSCDK-LJQANCHMSA-N 2 0 366.550 0.923 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)([NH+](C)C)C1 ZINC000563900070 491276333 /nfs/dbraw/zinc/27/63/33/491276333.db2.gz ORJHSLRCBUHQQW-FSZRXZPDSA-N 2 0 351.495 0.450 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418838137 489748675 /nfs/dbraw/zinc/74/86/75/489748675.db2.gz BQRVPRFTFWTJLS-SFHVURJKSA-N 2 0 358.486 0.835 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)[NH+](C)C)c1 ZINC000418838562 489748825 /nfs/dbraw/zinc/74/88/25/489748825.db2.gz CELAVAGKXBIOOX-CPUCHLNUSA-N 2 0 362.474 0.610 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838030 489749286 /nfs/dbraw/zinc/74/92/86/489749286.db2.gz ACQGMCLPYUOHTF-GXTWGEPZSA-N 2 0 354.495 0.595 20 0 FCADRP CCCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000418840449 489750027 /nfs/dbraw/zinc/75/00/27/489750027.db2.gz FHADCICMZDDHMA-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430598301 489750359 /nfs/dbraw/zinc/75/03/59/489750359.db2.gz CHJIAMDKZBPAPH-GOEBONIOSA-N 2 0 360.458 0.413 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600336 489750767 /nfs/dbraw/zinc/75/07/67/489750767.db2.gz HNOBMPAZSJFCID-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600339 489750863 /nfs/dbraw/zinc/75/08/63/489750863.db2.gz HNOBMPAZSJFCID-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600325 489751048 /nfs/dbraw/zinc/75/10/48/489751048.db2.gz HLVXVYYIGDZFCE-UKRRQHHQSA-N 2 0 364.515 0.808 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418840891 489751234 /nfs/dbraw/zinc/75/12/34/489751234.db2.gz YJFDZUQLUVBFOG-OCCSQVGLSA-N 2 0 366.462 0.134 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000430609165 489752274 /nfs/dbraw/zinc/75/22/74/489752274.db2.gz HANPOTLTZKVPSB-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606563 489752420 /nfs/dbraw/zinc/75/24/20/489752420.db2.gz WHUWOCGZAZHLSB-AEFFLSMTSA-N 2 0 360.502 0.829 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000418848996 489755840 /nfs/dbraw/zinc/75/58/40/489755840.db2.gz MFYQJYKUXLZIPS-IAGOWNOFSA-N 2 0 374.485 0.802 20 0 FCADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624234 489755932 /nfs/dbraw/zinc/75/59/32/489755932.db2.gz OFKXAUBYTYLFKK-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC000430624612 489756765 /nfs/dbraw/zinc/75/67/65/489756765.db2.gz JEDJKPPLICWYAI-QGZVFWFLSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626710 489758017 /nfs/dbraw/zinc/75/80/17/489758017.db2.gz MGHZJRWQMNTLPP-ILXRZTDVSA-N 2 0 367.494 0.178 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc2C1 ZINC000430630269 489758256 /nfs/dbraw/zinc/75/82/56/489758256.db2.gz RWSBMZDWQZBEPX-IBGZPJMESA-N 2 0 370.497 0.715 20 0 FCADRP CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000430631870 489758641 /nfs/dbraw/zinc/75/86/41/489758641.db2.gz VUUHMPOFHXXYFR-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853983 489758716 /nfs/dbraw/zinc/75/87/16/489758716.db2.gz SURFJYLLESOEPP-MSOLQXFVSA-N 2 0 360.502 0.781 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855556 489759689 /nfs/dbraw/zinc/75/96/89/489759689.db2.gz UZRZVHFFOUSKTR-ZBFHGGJFSA-N 2 0 362.474 0.659 20 0 FCADRP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640871 489760287 /nfs/dbraw/zinc/76/02/87/489760287.db2.gz LEKSPNGQIGSQQF-ROUUACIJSA-N 2 0 358.486 0.960 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000418859304 489761313 /nfs/dbraw/zinc/76/13/13/489761313.db2.gz KQFLSUWWOAKITB-FGTMMUONSA-N 2 0 358.486 0.864 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)c1 ZINC000418861061 489762184 /nfs/dbraw/zinc/76/21/84/489762184.db2.gz MIBHGBHAHZOBJT-HLLBOEOZSA-N 2 0 360.458 0.092 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418863600 489763200 /nfs/dbraw/zinc/76/32/00/489763200.db2.gz PMPBCHGPDMYEKM-SJORKVTESA-N 2 0 360.458 0.044 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[NH+](C)C)c1 ZINC000418865381 489764733 /nfs/dbraw/zinc/76/47/33/489764733.db2.gz RQZQQFYTWOATDZ-MRXNPFEDSA-N 2 0 362.474 0.625 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418867967 489765636 /nfs/dbraw/zinc/76/56/36/489765636.db2.gz VKCCHZTYRYWZSV-ZIAGYGMSSA-N 2 0 350.488 0.808 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000430711212 489765612 /nfs/dbraw/zinc/76/56/12/489765612.db2.gz DNLCGGZJTNYRJP-OIISXLGYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870618 489767511 /nfs/dbraw/zinc/76/75/11/489767511.db2.gz YKRKWHVODRSYTJ-USXIJHARSA-N 2 0 374.485 0.606 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418879986 489771890 /nfs/dbraw/zinc/77/18/90/489771890.db2.gz UTCMJLAQDYINBU-QGZVFWFLSA-N 2 0 362.474 0.674 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418879985 489772674 /nfs/dbraw/zinc/77/26/74/489772674.db2.gz UTCMJLAQDYINBU-KRWDZBQOSA-N 2 0 362.474 0.674 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000418879163 489772679 /nfs/dbraw/zinc/77/26/79/489772679.db2.gz SGQGTSAZGSPAOB-AEFFLSMTSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418885937 489775885 /nfs/dbraw/zinc/77/58/85/489775885.db2.gz ZPUMLZDQMUTILO-OAGGEKHMSA-N 2 0 354.495 0.237 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C2)CC1 ZINC000459895187 489783985 /nfs/dbraw/zinc/78/39/85/489783985.db2.gz KBVGUNRUOCEHKZ-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418912542 489788193 /nfs/dbraw/zinc/78/81/93/489788193.db2.gz DGWQNBSXLKPRPU-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC1CC[NH+](C)CC1)C2 ZINC000376745396 489788410 /nfs/dbraw/zinc/78/84/10/489788410.db2.gz DLJPYDSFMZCYSQ-ALOPSCKCSA-N 2 0 365.522 0.711 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000418928236 489793826 /nfs/dbraw/zinc/79/38/26/489793826.db2.gz URBFDGQKUOJWJO-OAGGEKHMSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)C1 ZINC000376801877 489798793 /nfs/dbraw/zinc/79/87/93/489798793.db2.gz NXNBGVNEAROSPD-FGTMMUONSA-N 2 0 368.522 0.848 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418945036 489799313 /nfs/dbraw/zinc/79/93/13/489799313.db2.gz KXELWVDBBPVJHW-NVXWUHKLSA-N 2 0 362.474 0.199 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccco1 ZINC000418945568 489799468 /nfs/dbraw/zinc/79/94/68/489799468.db2.gz PXTZFMMRSQEYRA-HRCADAONSA-N 2 0 362.474 0.847 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000418949856 489801758 /nfs/dbraw/zinc/80/17/58/489801758.db2.gz QALQCYABQCSLKW-NXHRZFHOSA-N 2 0 358.486 0.976 20 0 FCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000418957407 489804392 /nfs/dbraw/zinc/80/43/92/489804392.db2.gz ZMQFSEXJQPEHSA-SFHVURJKSA-N 2 0 358.486 0.911 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418971109 489808135 /nfs/dbraw/zinc/80/81/35/489808135.db2.gz XHZUERDHXQEYLY-MRXNPFEDSA-N 2 0 360.458 0.256 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418985975 489810189 /nfs/dbraw/zinc/81/01/89/489810189.db2.gz NTHNFJLRLDFOHT-RYQLBKOJSA-N 2 0 358.486 0.788 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000460001569 489814840 /nfs/dbraw/zinc/81/48/40/489814840.db2.gz YZUURTCLRYSDEY-DLBZAZTESA-N 2 0 350.507 0.731 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000419027343 489823578 /nfs/dbraw/zinc/82/35/78/489823578.db2.gz CEDOKQWZKNFPOP-HNNXBMFYSA-N 2 0 368.547 0.708 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419029676 489824754 /nfs/dbraw/zinc/82/47/54/489824754.db2.gz GICSXEXQGIBUMF-OAHLLOKOSA-N 2 0 368.547 0.675 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000419034204 489827767 /nfs/dbraw/zinc/82/77/67/489827767.db2.gz DITGMQYADMTMGP-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419036013 489828579 /nfs/dbraw/zinc/82/85/79/489828579.db2.gz GALZTVNEBYNHAW-NXOAAHMSSA-N 2 0 368.522 0.448 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419038928 489828959 /nfs/dbraw/zinc/82/89/59/489828959.db2.gz ULIWIFFMHPVHHK-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000460047343 489831500 /nfs/dbraw/zinc/83/15/00/489831500.db2.gz ZUEUOSPCHUBZTN-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419043468 489832448 /nfs/dbraw/zinc/83/24/48/489832448.db2.gz REDDMEOMNCSGNW-BBWFWOEESA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419046335 489833181 /nfs/dbraw/zinc/83/31/81/489833181.db2.gz PRDZBCMMBVANLY-HYVNUMGLSA-N 2 0 360.458 0.043 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419056430 489837417 /nfs/dbraw/zinc/83/74/17/489837417.db2.gz LMKLLMLAVWCEMD-FGTMMUONSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C[C@@H]1[NH+](C)C ZINC000460064968 489840154 /nfs/dbraw/zinc/84/01/54/489840154.db2.gz XLKCQZRYIZSZLA-UXLLHSPISA-N 2 0 366.506 0.107 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419064869 489841009 /nfs/dbraw/zinc/84/10/09/489841009.db2.gz CQHFVEPVKDBVSL-GOSISDBHSA-N 2 0 358.486 0.868 20 0 FCADRP O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431863 489841864 /nfs/dbraw/zinc/84/18/64/489841864.db2.gz FHHAYESQAFRTDN-DLBZAZTESA-N 2 0 365.522 0.905 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419066557 489842515 /nfs/dbraw/zinc/84/25/15/489842515.db2.gz FKAOOJXWQBKNDF-MOPGFXCFSA-N 2 0 370.497 0.835 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069854 489844619 /nfs/dbraw/zinc/84/46/19/489844619.db2.gz GQSKGAORGYWPJC-CJNGLKHVSA-N 2 0 350.463 0.658 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920183 491283005 /nfs/dbraw/zinc/28/30/05/491283005.db2.gz CIPGXKFQQMOQDV-SJORKVTESA-N 2 0 369.554 0.221 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000571056895 491283181 /nfs/dbraw/zinc/28/31/81/491283181.db2.gz GQYXOPBGOSTVCT-UHFFFAOYSA-N 2 0 364.494 0.071 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419100808 489854828 /nfs/dbraw/zinc/85/48/28/489854828.db2.gz CALOOFIPMXEXBK-BLLLJJGKSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419103978 489855817 /nfs/dbraw/zinc/85/58/17/489855817.db2.gz GUVCAWCVPGHYCX-NXHRZFHOSA-N 2 0 358.486 0.691 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419104480 489857105 /nfs/dbraw/zinc/85/71/05/489857105.db2.gz HFRMHBATSMQDDH-CYBMUJFWSA-N 2 0 360.380 0.760 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000493795774 489857758 /nfs/dbraw/zinc/85/77/58/489857758.db2.gz NYZLQQWZJSJMTB-CALCHBBNSA-N 2 0 352.523 0.820 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000460250700 489858379 /nfs/dbraw/zinc/85/83/79/489858379.db2.gz LDNDLCSHTWZOHM-GOSISDBHSA-N 2 0 350.463 0.493 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000460265763 489860857 /nfs/dbraw/zinc/86/08/57/489860857.db2.gz ZEMCFGBMSIVQEB-XYJFISCASA-N 2 0 356.511 0.489 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000419118627 489863443 /nfs/dbraw/zinc/86/34/43/489863443.db2.gz XDWRABDLORVZHE-ZDUSSCGKSA-N 2 0 360.380 0.841 20 0 FCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000460336674 489863436 /nfs/dbraw/zinc/86/34/36/489863436.db2.gz UZWDYAXBWZRKGV-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419119385 489864199 /nfs/dbraw/zinc/86/41/99/489864199.db2.gz JRLANSPFJXIYQL-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)[C@H](C[NH3+])C1 ZINC000419123046 489866857 /nfs/dbraw/zinc/86/68/57/489866857.db2.gz OUWLTDWGQWUZJW-OWCLPIDISA-N 2 0 354.495 0.332 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433163643 489869475 /nfs/dbraw/zinc/86/94/75/489869475.db2.gz BZDDHWMPDIQQMG-UHFFFAOYSA-N 2 0 368.503 0.196 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000433180117 489870845 /nfs/dbraw/zinc/87/08/45/489870845.db2.gz VDRLZIRLWCENSD-UHFFFAOYSA-N 2 0 364.494 0.357 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420010293 489879998 /nfs/dbraw/zinc/87/99/98/489879998.db2.gz GTACPYHEUWWSQR-INIZCTEOSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000433383833 489880624 /nfs/dbraw/zinc/88/06/24/489880624.db2.gz UMYRCTCJZWPWHJ-RBSFLKMASA-N 2 0 350.467 0.432 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C[NH+]1CCCCC1 ZINC000420031902 489887370 /nfs/dbraw/zinc/88/73/70/489887370.db2.gz HMEXOXLTOMLNDU-RBSFLKMASA-N 2 0 354.495 0.454 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420032567 489887458 /nfs/dbraw/zinc/88/74/58/489887458.db2.gz MZOAMIOUYKMFPQ-MRXNPFEDSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420031971 489887462 /nfs/dbraw/zinc/88/74/62/489887462.db2.gz HOHWXTJHDKRHIW-KKUMJFAQSA-N 2 0 352.479 0.160 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000420053151 489894527 /nfs/dbraw/zinc/89/45/27/489894527.db2.gz IMMRAZGZNBNGIH-HUUCEWRRSA-N 2 0 368.522 0.578 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000420057870 489896941 /nfs/dbraw/zinc/89/69/41/489896941.db2.gz HXJZUYMQTIWBBC-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP CN(Cc1ccc(F)cc1F)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000571143237 491288032 /nfs/dbraw/zinc/28/80/32/491288032.db2.gz KCYWHWZCBCFURS-UHFFFAOYSA-N 2 0 370.444 0.875 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000420065366 489900482 /nfs/dbraw/zinc/90/04/82/489900482.db2.gz POPYOSSWBZJOOF-CPUCHLNUSA-N 2 0 366.506 0.188 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420065203 489900520 /nfs/dbraw/zinc/90/05/20/489900520.db2.gz XINGFNGMMHMLMH-INIZCTEOSA-N 2 0 361.490 0.748 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433789137 489900848 /nfs/dbraw/zinc/90/08/48/489900848.db2.gz CVIKFEYFLYUAEI-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070093 489902138 /nfs/dbraw/zinc/90/21/38/489902138.db2.gz JEQMWEDZHYVADI-YOEHRIQHSA-N 2 0 366.506 0.332 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069218 489902750 /nfs/dbraw/zinc/90/27/50/489902750.db2.gz VNMMYJPCABRDPI-QZTJIDSGSA-N 2 0 373.501 0.748 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433925897 489904831 /nfs/dbraw/zinc/90/48/31/489904831.db2.gz XCHOGXDGURPJEP-CVEARBPZSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420103638 489913216 /nfs/dbraw/zinc/91/32/16/489913216.db2.gz PTMUNFUQQMFGRU-GOSISDBHSA-N 2 0 374.485 0.475 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC(=O)N1 ZINC000434114452 489913895 /nfs/dbraw/zinc/91/38/95/489913895.db2.gz DPDRZCRHJCVTIW-INIZCTEOSA-N 2 0 374.489 0.562 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420119400 489919100 /nfs/dbraw/zinc/91/91/00/489919100.db2.gz KVQVKFMTOPLZLS-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000420120719 489919142 /nfs/dbraw/zinc/91/91/42/489919142.db2.gz KBWSXDYCAWJOGA-VUROTCPHSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[NH2+]C1 ZINC000420127631 489921932 /nfs/dbraw/zinc/92/19/32/489921932.db2.gz TTZNRTXGQRFIRV-LJQANCHMSA-N 2 0 366.506 0.063 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420131255 489924094 /nfs/dbraw/zinc/92/40/94/489924094.db2.gz WZTOZSWQCWMKSR-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420131259 489924132 /nfs/dbraw/zinc/92/41/32/489924132.db2.gz WZTOZSWQCWMKSR-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141423 489928576 /nfs/dbraw/zinc/92/85/76/489928576.db2.gz ZITDPQQBUFIBGV-OQIJWPOYSA-N 2 0 370.497 0.834 20 0 FCADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420145324 489929704 /nfs/dbraw/zinc/92/97/04/489929704.db2.gz OPNNOHFHRVQWJT-OAGGEKHMSA-N 2 0 368.522 0.448 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420151640 489932459 /nfs/dbraw/zinc/93/24/59/489932459.db2.gz YOQPDZYPEGUDGW-MRXNPFEDSA-N 2 0 354.495 0.191 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420168899 489938244 /nfs/dbraw/zinc/93/82/44/489938244.db2.gz KRYOZURYDCPDSN-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172895 489939752 /nfs/dbraw/zinc/93/97/52/489939752.db2.gz WHNMRMBGGNTYQH-CVEARBPZSA-N 2 0 352.523 0.975 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000420174171 489940783 /nfs/dbraw/zinc/94/07/83/489940783.db2.gz YESZRDHWXDKQGL-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186417 489945141 /nfs/dbraw/zinc/94/51/41/489945141.db2.gz CLGXPVAPIOZYBA-INDMIFKZSA-N 2 0 370.497 0.820 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000420187473 489945377 /nfs/dbraw/zinc/94/53/77/489945377.db2.gz RJQYUFNLNALNFN-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000420188658 489946086 /nfs/dbraw/zinc/94/60/86/489946086.db2.gz NLNRNXCHUXSMPB-JCYILVPMSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420198445 489949618 /nfs/dbraw/zinc/94/96/18/489949618.db2.gz CKFBDMHFCWAOOE-NQNKBUKLSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420202792 489950241 /nfs/dbraw/zinc/95/02/41/489950241.db2.gz JWDMSBQJCMSJEW-DOTOQJQBSA-N 2 0 374.485 0.078 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000571179794 491290526 /nfs/dbraw/zinc/29/05/26/491290526.db2.gz BFHSBQOAUVJZML-LSDHHAIUSA-N 2 0 350.467 0.854 20 0 FCADRP C[C@H](CN1CCOCC1)[NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434708619 489951658 /nfs/dbraw/zinc/95/16/58/489951658.db2.gz DARANLLVUQJDCZ-GGJLBNBESA-N 2 0 368.566 0.848 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477263247 489954262 /nfs/dbraw/zinc/95/42/62/489954262.db2.gz JMGQKTKYOBOVRP-CRAIPNDOSA-N 2 0 356.511 0.308 20 0 FCADRP CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)nc2)CC1 ZINC000420237983 489957068 /nfs/dbraw/zinc/95/70/68/489957068.db2.gz MVSQYJGXSDQMFA-UONOGXRCSA-N 2 0 353.492 0.700 20 0 FCADRP CCc1ccccc1[C@@H]([NH3+])CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000420265216 489958686 /nfs/dbraw/zinc/95/86/86/489958686.db2.gz BJLWLSZZXQMBEF-HNNXBMFYSA-N 2 0 359.478 0.036 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798581 489959903 /nfs/dbraw/zinc/95/99/03/489959903.db2.gz KEBYXIOAWOOVSD-HOTGVXAUSA-N 2 0 362.522 0.795 20 0 FCADRP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420297662 489960617 /nfs/dbraw/zinc/96/06/17/489960617.db2.gz RIZJEJKSBJNROO-QAPCUYQASA-N 2 0 358.486 0.747 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299657 489961949 /nfs/dbraw/zinc/96/19/49/489961949.db2.gz UEOVNXYDXQIIQU-VXGBXAGGSA-N 2 0 350.385 0.327 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000420310488 489962297 /nfs/dbraw/zinc/96/22/97/489962297.db2.gz PXWAUIZSIWOEAZ-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP Cn1c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc2c1=O ZINC000420319559 489962937 /nfs/dbraw/zinc/96/29/37/489962937.db2.gz XSEZHTHQCLIEJT-CQSZACIVSA-N 2 0 357.458 0.753 20 0 FCADRP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333724 489963727 /nfs/dbraw/zinc/96/37/27/489963727.db2.gz SVEKELWCHJRXOG-OLZOCXBDSA-N 2 0 363.462 0.445 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327217 489963854 /nfs/dbraw/zinc/96/38/54/489963854.db2.gz LBCTZTXXCPPLML-IRXDYDNUSA-N 2 0 358.490 0.447 20 0 FCADRP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347219 489965220 /nfs/dbraw/zinc/96/52/20/489965220.db2.gz FUQAFRVTYAHRTA-MRXNPFEDSA-N 2 0 364.465 0.642 20 0 FCADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349299 489966900 /nfs/dbraw/zinc/96/69/00/489966900.db2.gz OJOBBXLEHBDTNW-YJBOKZPZSA-N 2 0 374.485 0.457 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000420411374 489973201 /nfs/dbraw/zinc/97/32/01/489973201.db2.gz BVVQWIHKXHJIJX-DOMZBBRYSA-N 2 0 357.524 0.728 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000420412303 489973244 /nfs/dbraw/zinc/97/32/44/489973244.db2.gz COOFJMGTNQDWEO-OAHLLOKOSA-N 2 0 357.524 0.730 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000420411371 489973288 /nfs/dbraw/zinc/97/32/88/489973288.db2.gz BVJNMNZIAZEBDF-GFCCVEGCSA-N 2 0 357.524 0.809 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420447383 489978123 /nfs/dbraw/zinc/97/81/23/489978123.db2.gz IUHBFVQNECFBFJ-DOMZBBRYSA-N 2 0 357.524 0.809 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000477626594 489979452 /nfs/dbraw/zinc/97/94/52/489979452.db2.gz LTPVDYPEJZEKCU-HOTGVXAUSA-N 2 0 354.495 0.202 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cncc(Br)c1 ZINC000420454363 489979930 /nfs/dbraw/zinc/97/99/30/489979930.db2.gz LCOFJBCFFFEHCI-UHFFFAOYSA-N 2 0 351.270 0.532 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000477639266 489980136 /nfs/dbraw/zinc/98/01/36/489980136.db2.gz FBMQASONTLJSMC-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP COC[C@H](C)S(=O)(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000420468682 489981960 /nfs/dbraw/zinc/98/19/60/489981960.db2.gz HAQLTEIYOWEIAO-HNNXBMFYSA-N 2 0 355.504 0.934 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477655429 489982997 /nfs/dbraw/zinc/98/29/97/489982997.db2.gz XPYOKGGLKDPBNF-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000477675412 489984024 /nfs/dbraw/zinc/98/40/24/489984024.db2.gz GNOISISEFVIVHH-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000477704186 489985516 /nfs/dbraw/zinc/98/55/16/489985516.db2.gz QRRXKGQODJJTOC-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC000463418216 490016828 /nfs/dbraw/zinc/01/68/28/490016828.db2.gz FIJMOJOFZOTTKX-QGZVFWFLSA-N 2 0 359.536 0.702 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1=O ZINC000378187287 490024921 /nfs/dbraw/zinc/02/49/21/490024921.db2.gz IMSXTZMELWXSQM-YLFCFFPRSA-N 2 0 350.507 0.905 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853681 490026222 /nfs/dbraw/zinc/02/62/22/490026222.db2.gz DSVGNLAOYBNSIC-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000478821092 490040071 /nfs/dbraw/zinc/04/00/71/490040071.db2.gz HQAVJJQIIMGXON-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044542 490050545 /nfs/dbraw/zinc/05/05/45/490050545.db2.gz XDNOGJCBYSBFOZ-ZFWWWQNUSA-N 2 0 356.430 1.004 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000441972424 490057658 /nfs/dbraw/zinc/05/76/58/490057658.db2.gz FPIHHTQRFRPSMK-UHFFFAOYSA-N 2 0 356.430 1.196 20 0 FCADRP COC(=O)C1=C(C)O[C@H](CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482456 490071168 /nfs/dbraw/zinc/07/11/68/490071168.db2.gz MENMHALUHPJRLV-HOCLYGCPSA-N 2 0 351.447 0.636 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479202158 490072692 /nfs/dbraw/zinc/07/26/92/490072692.db2.gz BEJURKOVLFGJBG-KRWDZBQOSA-N 2 0 364.465 0.881 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000479203691 490073968 /nfs/dbraw/zinc/07/39/68/490073968.db2.gz GEBCPLNBUCZQJF-UHFFFAOYSA-N 2 0 353.492 0.317 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148211 490105050 /nfs/dbraw/zinc/10/50/50/490105050.db2.gz OFOIDWBNBNMNDE-DLBZAZTESA-N 2 0 351.470 0.973 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000571326158 491300774 /nfs/dbraw/zinc/30/07/74/491300774.db2.gz BSAACWCIFCCEJP-HOTGVXAUSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000379674818 490126795 /nfs/dbraw/zinc/12/67/95/490126795.db2.gz VKZGNGVWLXJEAD-DOTOQJQBSA-N 2 0 355.504 0.805 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000520384389 490140510 /nfs/dbraw/zinc/14/05/10/490140510.db2.gz PTLDKWYWEVJIRE-HNNXBMFYSA-N 2 0 355.527 0.421 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000391647365 490141502 /nfs/dbraw/zinc/14/15/02/490141502.db2.gz MZMWMPWJFIGQIN-MRXNPFEDSA-N 2 0 355.504 0.907 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000465840916 490146948 /nfs/dbraw/zinc/14/69/48/490146948.db2.gz KIAHFFAYRDRSGI-IKGGRYGDSA-N 2 0 365.522 0.807 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351968 491302687 /nfs/dbraw/zinc/30/26/87/491302687.db2.gz RFLSPTHSVDTUPF-MSOLQXFVSA-N 2 0 371.485 0.604 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000465869994 490148676 /nfs/dbraw/zinc/14/86/76/490148676.db2.gz HVEXOOUSWKEKKH-QZTJIDSGSA-N 3 0 368.570 0.290 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000465870000 490148756 /nfs/dbraw/zinc/14/87/56/490148756.db2.gz HVEXOOUSWKEKKH-ZWKOTPCHSA-N 3 0 368.570 0.290 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000465863634 490148938 /nfs/dbraw/zinc/14/89/38/490148938.db2.gz HAPWUGVFEMKQHH-GDBMZVCRSA-N 2 0 353.511 0.711 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460153 490151401 /nfs/dbraw/zinc/15/14/01/490151401.db2.gz ZAFGTTFMMUEXCN-WBVHZDCISA-N 2 0 366.506 0.322 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000571355365 491302893 /nfs/dbraw/zinc/30/28/93/491302893.db2.gz UERHZQANIRJKPE-XYTVBORESA-N 2 0 365.522 0.806 20 0 FCADRP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354144 491303005 /nfs/dbraw/zinc/30/30/05/491303005.db2.gz DPBPJQUZNLPJDH-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465956934 490157545 /nfs/dbraw/zinc/15/75/45/490157545.db2.gz RCVWVFODBFIMNF-BRWVUGGUSA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446288164 490157747 /nfs/dbraw/zinc/15/77/47/490157747.db2.gz NYPMYTILCQSSPA-MBOZVWFJSA-N 2 0 366.550 0.909 20 0 FCADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608411 490169162 /nfs/dbraw/zinc/16/91/62/490169162.db2.gz XZZAEKKVRASREZ-VQTJNVASSA-N 2 0 359.470 0.196 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233892 490171377 /nfs/dbraw/zinc/17/13/77/490171377.db2.gz FUNWMGFUOFRJHC-DJIMGWMZSA-N 2 0 365.522 0.711 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770598 490186871 /nfs/dbraw/zinc/18/68/71/490186871.db2.gz JSMUVPLTLLUKPA-ROUUACIJSA-N 2 0 373.501 0.750 20 0 FCADRP CCO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@]12CCCO2 ZINC000546137277 490194261 /nfs/dbraw/zinc/19/42/61/490194261.db2.gz NNZQLCYIFARKKD-JFIYKMOQSA-N 2 0 356.511 0.848 20 0 FCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000564452293 491307799 /nfs/dbraw/zinc/30/77/99/491307799.db2.gz BYUUKJJSEUOOKQ-BZSNNMDCSA-N 2 0 371.485 0.742 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000507411214 490217652 /nfs/dbraw/zinc/21/76/52/490217652.db2.gz WSXJICZYNKACAW-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000480637116 490219531 /nfs/dbraw/zinc/21/95/31/490219531.db2.gz AWKWHQJYMHYSLG-IUODEOHRSA-N 2 0 357.524 0.823 20 0 FCADRP CNC(=O)N[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466947655 490232688 /nfs/dbraw/zinc/23/26/88/490232688.db2.gz WUFBYMCZIFYMKJ-HUUCEWRRSA-N 2 0 354.499 0.163 20 0 FCADRP CNC(=O)N[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947653 490233397 /nfs/dbraw/zinc/23/33/97/490233397.db2.gz WUFBYMCZIFYMKJ-GASCZTMLSA-N 2 0 354.499 0.163 20 0 FCADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521370750 490253474 /nfs/dbraw/zinc/25/34/74/490253474.db2.gz IFJPMTCZLPGZRI-RDJZCZTQSA-N 2 0 364.490 0.053 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000521473992 490266303 /nfs/dbraw/zinc/26/63/03/490266303.db2.gz GMPXXMZGWNRPLF-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000521597343 490280318 /nfs/dbraw/zinc/28/03/18/490280318.db2.gz YMMZIJULRMNLNN-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000533815218 490285663 /nfs/dbraw/zinc/28/56/63/490285663.db2.gz KPCJREUQOGWFSM-FPCVCCKLSA-N 2 0 370.563 0.917 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000422427332 490313772 /nfs/dbraw/zinc/31/37/72/490313772.db2.gz DDUACZOBRMUIGE-KRWDZBQOSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437169 490318279 /nfs/dbraw/zinc/31/82/79/490318279.db2.gz YZGDLFZDVFRUCJ-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467689681 490330791 /nfs/dbraw/zinc/33/07/91/490330791.db2.gz WWDDAQZOBPSJRN-ALOPSCKCSA-N 2 0 350.507 0.191 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467705930 490331538 /nfs/dbraw/zinc/33/15/38/490331538.db2.gz OQJRODHDVRAWPR-ALOPSCKCSA-N 2 0 371.485 0.264 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)CC[C@H]2C)CC1=O ZINC000498725943 490332097 /nfs/dbraw/zinc/33/20/97/490332097.db2.gz KTZRZPPJPYXVJH-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CO[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000522061025 490337960 /nfs/dbraw/zinc/33/79/60/490337960.db2.gz UENKRYWTKKKJCO-IAGOWNOFSA-N 2 0 361.490 0.558 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000422485671 490351485 /nfs/dbraw/zinc/35/14/85/490351485.db2.gz FJABGSRVZFQFHZ-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484089 490351565 /nfs/dbraw/zinc/35/15/65/490351565.db2.gz BWIWKBXXKMHBSO-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000422488433 490352323 /nfs/dbraw/zinc/35/23/23/490352323.db2.gz NBJQGEQTKHWOTB-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000522221682 490356462 /nfs/dbraw/zinc/35/64/62/490356462.db2.gz SDKZBQBCPHXQBV-UHFFFAOYSA-N 2 0 365.522 0.809 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522442614 490379442 /nfs/dbraw/zinc/37/94/42/490379442.db2.gz VATKRQRATTZPNI-QGZVFWFLSA-N 2 0 367.538 0.912 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(C)=O)nn1 ZINC000448853178 490382820 /nfs/dbraw/zinc/38/28/20/490382820.db2.gz NSPRNHPAIZWILH-OAHLLOKOSA-N 2 0 350.467 0.355 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000468505286 490410555 /nfs/dbraw/zinc/41/05/55/490410555.db2.gz NKUXGKBSAKBTHA-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP C[C@@H]1C[C@@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422638684 490437973 /nfs/dbraw/zinc/43/79/73/490437973.db2.gz QXEDYZSSDLJVTG-MCIONIFRSA-N 2 0 362.478 0.129 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564785801 491326324 /nfs/dbraw/zinc/32/63/24/491326324.db2.gz SICJMBMPDFJHOE-SJORKVTESA-N 2 0 365.522 0.714 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000509718184 490456339 /nfs/dbraw/zinc/45/63/39/490456339.db2.gz XLVQFQNLTPGHOP-INIZCTEOSA-N 2 0 354.495 0.015 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000509723799 490457635 /nfs/dbraw/zinc/45/76/35/490457635.db2.gz ZJWZSNIVLVTTIQ-JKSUJKDBSA-N 2 0 354.495 0.014 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000509727054 490458478 /nfs/dbraw/zinc/45/84/78/490458478.db2.gz GYDKLSCTWDZWMX-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944256 490480808 /nfs/dbraw/zinc/48/08/08/490480808.db2.gz HCIZRWAKDYWSQH-IRXDYDNUSA-N 2 0 352.523 0.807 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000523676165 490485351 /nfs/dbraw/zinc/48/53/51/490485351.db2.gz FVQRPCXOTQMQGL-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN(C)S(=O)(=O)CC)CC[NH2+]CC1 ZINC000422858667 490486878 /nfs/dbraw/zinc/48/68/78/490486878.db2.gz IQVQFLZFJDWJDJ-CQSZACIVSA-N 2 0 363.524 0.569 20 0 FCADRP C[NH+]1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693096 490486837 /nfs/dbraw/zinc/48/68/37/490486837.db2.gz VDDVHAMBFNXAJB-RYUDHWBXSA-N 2 0 351.476 0.601 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000523701179 490487745 /nfs/dbraw/zinc/48/77/45/490487745.db2.gz WPGMYKLOEQPXBQ-QGZVFWFLSA-N 2 0 355.527 0.018 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000422906470 490494230 /nfs/dbraw/zinc/49/42/30/490494230.db2.gz JUUQTVDDBUEGFR-SJORKVTESA-N 2 0 362.474 0.361 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000422965233 490506958 /nfs/dbraw/zinc/50/69/58/490506958.db2.gz OBAVRTXHPMJBMM-INIZCTEOSA-N 3 0 354.539 0.923 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000510381842 490512140 /nfs/dbraw/zinc/51/21/40/490512140.db2.gz ZQAXUCWOMLTWPU-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000500436606 490516336 /nfs/dbraw/zinc/51/63/36/490516336.db2.gz AYVUWYPRICFVRO-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000500458282 490519680 /nfs/dbraw/zinc/51/96/80/490519680.db2.gz SFGYNZZNDGPHTB-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000423060464 490533549 /nfs/dbraw/zinc/53/35/49/490533549.db2.gz OLPULEMUITULNQ-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000423059688 490534190 /nfs/dbraw/zinc/53/41/90/490534190.db2.gz MPWKSXOUWMTNNK-LJQANCHMSA-N 2 0 350.507 0.908 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000571872475 491334072 /nfs/dbraw/zinc/33/40/72/491334072.db2.gz DZOOJFMIWSGETF-RYRKJORJSA-N 2 0 358.486 0.915 20 0 FCADRP CCC[C@H]1CN(C(=O)NCCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC000500762425 490549355 /nfs/dbraw/zinc/54/93/55/490549355.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 0 356.511 0.849 20 0 FCADRP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069182 490550174 /nfs/dbraw/zinc/55/01/74/490550174.db2.gz XHTCUQXZZUPIEY-OAHLLOKOSA-N 2 0 371.441 0.390 20 0 FCADRP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000524713877 490552915 /nfs/dbraw/zinc/55/29/15/490552915.db2.gz XKXIOLXHWDEPPU-OAHLLOKOSA-N 2 0 364.494 0.764 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485784849 490558446 /nfs/dbraw/zinc/55/84/46/490558446.db2.gz PDEVVLXIWGEZHH-ZDUSSCGKSA-N 2 0 362.478 0.159 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000485847809 490563218 /nfs/dbraw/zinc/56/32/18/490563218.db2.gz RVFDAVLFSIAIEU-ZHALLVOQSA-N 2 0 364.534 0.724 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214942 490571168 /nfs/dbraw/zinc/57/11/68/490571168.db2.gz GLRNUUWVVNMQBV-WBVHZDCISA-N 2 0 365.522 0.879 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000501154669 490584534 /nfs/dbraw/zinc/58/45/34/490584534.db2.gz QMQGSWVVUDYHHX-QGZVFWFLSA-N 2 0 368.522 0.357 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000556797132 491337832 /nfs/dbraw/zinc/33/78/32/491337832.db2.gz YMBWFHATZBKGBN-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486109353 490591060 /nfs/dbraw/zinc/59/10/60/490591060.db2.gz NCHXYEAVZOOQFG-DLBZAZTESA-N 2 0 360.506 0.693 20 0 FCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000525332385 490597257 /nfs/dbraw/zinc/59/72/57/490597257.db2.gz KMVHWHFEQPWNKN-MRXNPFEDSA-N 2 0 361.490 0.382 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486289722 490606462 /nfs/dbraw/zinc/60/64/62/490606462.db2.gz FDLJDCRIPWUISQ-BIVLZKPYSA-N 2 0 352.523 0.639 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365759 490614742 /nfs/dbraw/zinc/61/47/42/490614742.db2.gz LBMSZGYOFSZGEL-KURKYZTESA-N 2 0 352.523 0.438 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589251 490619498 /nfs/dbraw/zinc/61/94/98/490619498.db2.gz ODWZRGRNOLICRE-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000501600497 490620158 /nfs/dbraw/zinc/62/01/58/490620158.db2.gz SRGNEVKQSAVBHX-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486442068 490626036 /nfs/dbraw/zinc/62/60/36/490626036.db2.gz NNXDCUBADISKSU-VQHPVUNQSA-N 2 0 350.507 0.443 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635160 490627691 /nfs/dbraw/zinc/62/76/91/490627691.db2.gz FTTRTQVHPIDRSM-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640274 490630212 /nfs/dbraw/zinc/63/02/12/490630212.db2.gz NKUWLUVWJFLSGX-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000501651822 490630703 /nfs/dbraw/zinc/63/07/03/490630703.db2.gz YMISONWMPPRCFC-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000486461228 490633258 /nfs/dbraw/zinc/63/32/58/490633258.db2.gz ANQVBKUVWVYTKW-SJORKVTESA-N 2 0 367.538 0.911 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000486461225 490633557 /nfs/dbraw/zinc/63/35/57/490633557.db2.gz ANQVBKUVWVYTKW-DLBZAZTESA-N 2 0 367.538 0.911 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000525882400 490645591 /nfs/dbraw/zinc/64/55/91/490645591.db2.gz DBWZURSGVVYLBZ-UHFFFAOYSA-N 2 0 361.446 0.072 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)NC)nc1 ZINC000486578483 490647490 /nfs/dbraw/zinc/64/74/90/490647490.db2.gz IBPZNCGMKGUNKP-INIZCTEOSA-N 2 0 361.490 0.929 20 0 FCADRP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000537117743 490648299 /nfs/dbraw/zinc/64/82/99/490648299.db2.gz ZRLIPAWCFDGDJJ-SJORKVTESA-N 2 0 361.552 0.322 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000564979132 491342614 /nfs/dbraw/zinc/34/26/14/491342614.db2.gz ISLWYBOIFZMWRQ-WWGRRREGSA-N 2 0 350.463 0.656 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCCCC1 ZINC000550321902 490659475 /nfs/dbraw/zinc/65/94/75/490659475.db2.gz ICTKXDCXFXRQBV-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000550327034 490660762 /nfs/dbraw/zinc/66/07/62/490660762.db2.gz AAONOXUWCAGXLS-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000550362560 490664076 /nfs/dbraw/zinc/66/40/76/490664076.db2.gz QFMRNQVUZVMUIS-UHFFFAOYSA-N 2 0 350.507 0.966 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000572021828 491343712 /nfs/dbraw/zinc/34/37/12/491343712.db2.gz VFIGKHNYSDVUFJ-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cnc2ccccc21 ZINC000550428539 490668401 /nfs/dbraw/zinc/66/84/01/490668401.db2.gz HOPQIKCJPPROJB-UHFFFAOYSA-N 2 0 374.489 0.104 20 0 FCADRP COc1ccc(CN2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2=O)cc1 ZINC000564988485 491344092 /nfs/dbraw/zinc/34/40/92/491344092.db2.gz JYRXMPNJOYXQCA-UHFFFAOYSA-N 2 0 374.485 0.551 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550467784 490672613 /nfs/dbraw/zinc/67/26/13/490672613.db2.gz VLBXWPIWQJQXTR-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943025 490681573 /nfs/dbraw/zinc/68/15/73/490681573.db2.gz WVPMMRBHSREMSY-SZMVWBNQSA-N 2 0 360.502 0.589 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512661962 490691649 /nfs/dbraw/zinc/69/16/49/490691649.db2.gz VCIHNYSXQOIFCN-UHFFFAOYSA-N 2 0 369.554 0.549 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](CC)CC ZINC000565039952 491347335 /nfs/dbraw/zinc/34/73/35/491347335.db2.gz HHPDLBNNCHSSMN-BBWFWOEESA-N 2 0 365.522 0.854 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000527123874 490700987 /nfs/dbraw/zinc/70/09/87/490700987.db2.gz LNRIAYIEZGTXPH-UHFFFAOYSA-N 2 0 364.446 0.348 20 0 FCADRP CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000487265539 490702482 /nfs/dbraw/zinc/70/24/82/490702482.db2.gz HNLKDBBJXQUHTJ-DZFIZOCASA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000487444026 490712945 /nfs/dbraw/zinc/71/29/45/490712945.db2.gz SMKDTVWAJPQIAZ-CABCVRRESA-N 2 0 363.524 0.473 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238483 490716916 /nfs/dbraw/zinc/71/69/16/490716916.db2.gz MXUBHKUVUAMNJD-VVLHAWIVSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503422483 490755278 /nfs/dbraw/zinc/75/52/78/490755278.db2.gz DLXLOCQSOOXXHJ-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210872 490766541 /nfs/dbraw/zinc/76/65/41/490766541.db2.gz KQYAPGASFDZWAW-MSOLQXFVSA-N 3 0 354.539 0.877 20 0 FCADRP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850469 490792831 /nfs/dbraw/zinc/79/28/31/490792831.db2.gz NESFJKPPUPVIQO-DOTOQJQBSA-N 2 0 362.518 0.968 20 0 FCADRP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850472 490793123 /nfs/dbraw/zinc/79/31/23/490793123.db2.gz NESFJKPPUPVIQO-WBVHZDCISA-N 2 0 362.518 0.968 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000514937867 490798619 /nfs/dbraw/zinc/79/86/19/490798619.db2.gz RAIXOCFKEQKLLJ-LBPRGKRZSA-N 2 0 351.476 0.807 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000514951226 490799989 /nfs/dbraw/zinc/79/99/89/490799989.db2.gz LFCROGXRCBFSSE-HOTGVXAUSA-N 2 0 351.495 0.594 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000572234252 491357254 /nfs/dbraw/zinc/35/72/54/491357254.db2.gz MQPTZMGCRACNKV-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000515187279 490812534 /nfs/dbraw/zinc/81/25/34/490812534.db2.gz VXVCBSCAVMISSI-IRXDYDNUSA-N 2 0 373.501 0.121 20 0 FCADRP O=C(CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000515221042 490814092 /nfs/dbraw/zinc/81/40/92/490814092.db2.gz MTIYFDFQPLZODE-QGZVFWFLSA-N 2 0 359.474 0.555 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242946 491357722 /nfs/dbraw/zinc/35/77/22/491357722.db2.gz DOHTWDJSCHZMNB-XYVMCAHJSA-N 2 0 358.486 0.961 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000515523609 490830394 /nfs/dbraw/zinc/83/03/94/490830394.db2.gz IXLRNVFRLWTRRE-IXDOHACOSA-N 2 0 363.506 0.324 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000557193858 491358712 /nfs/dbraw/zinc/35/87/12/491358712.db2.gz SAIOFCULGLVUHV-ULQDDVLXSA-N 3 0 355.527 0.408 20 0 FCADRP O=C(NC[C@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000515836976 490840026 /nfs/dbraw/zinc/84/00/26/490840026.db2.gz KUEWMLYXTLPITI-CRAIPNDOSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000529301721 490848952 /nfs/dbraw/zinc/84/89/52/490848952.db2.gz VNKIGGOCDGVSAF-QGZVFWFLSA-N 2 0 360.506 0.973 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529342740 490855121 /nfs/dbraw/zinc/85/51/21/490855121.db2.gz XKRUTNGEJKIYEJ-OAHLLOKOSA-N 2 0 366.510 0.117 20 0 FCADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000529373570 490857163 /nfs/dbraw/zinc/85/71/63/490857163.db2.gz FYRLNVWKEBNVES-QGZVFWFLSA-N 2 0 361.490 0.718 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000516263435 490859069 /nfs/dbraw/zinc/85/90/69/490859069.db2.gz NMYCJVIXRUPKKJ-YOEHRIQHSA-N 2 0 362.474 0.611 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000516780403 490877655 /nfs/dbraw/zinc/87/76/55/490877655.db2.gz AZTUABSHTAWURU-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CN1CCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000516916122 490884337 /nfs/dbraw/zinc/88/43/37/490884337.db2.gz QZDCJGFCSGFIBG-CQSZACIVSA-N 2 0 373.457 0.347 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516912884 490884593 /nfs/dbraw/zinc/88/45/93/490884593.db2.gz OHESRGGMHWVKDP-KRWDZBQOSA-N 3 0 369.554 0.271 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000557205850 491359746 /nfs/dbraw/zinc/35/97/46/491359746.db2.gz HIRSDVDIBYKWPC-ROUUACIJSA-N 2 0 366.554 0.092 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517019580 490890967 /nfs/dbraw/zinc/89/09/67/490890967.db2.gz QRLKQDVMMGZDFE-INIZCTEOSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000557205848 491359841 /nfs/dbraw/zinc/35/98/41/491359841.db2.gz HIRSDVDIBYKWPC-QZTJIDSGSA-N 2 0 366.554 0.092 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC000572274720 491360148 /nfs/dbraw/zinc/36/01/48/491360148.db2.gz LMNCHZOZNRMDDN-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000517225269 490899977 /nfs/dbraw/zinc/89/99/77/490899977.db2.gz SJJONWMQXXCMII-HOTGVXAUSA-N 2 0 351.495 0.230 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000517616450 490914768 /nfs/dbraw/zinc/91/47/68/490914768.db2.gz KWYDQNANWWELBI-DLBZAZTESA-N 2 0 368.522 0.279 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530654411 490917735 /nfs/dbraw/zinc/91/77/35/490917735.db2.gz NSAUBTVZESANOE-OAQYLSRUSA-N 2 0 374.529 0.766 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777981 490924001 /nfs/dbraw/zinc/92/40/01/490924001.db2.gz CBOAICNRADNPBT-QZTJIDSGSA-N 2 0 372.579 0.758 20 0 FCADRP COC[C@@]1(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000572366993 491365173 /nfs/dbraw/zinc/36/51/73/491365173.db2.gz GQSSCQMLZJFFBF-FQEVSTJZSA-N 2 0 360.502 0.932 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@H+](C)CCOC)C2)CC1 ZINC000518522952 490944195 /nfs/dbraw/zinc/94/41/95/490944195.db2.gz WFBMCWHCCBPVBL-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000543763174 490945568 /nfs/dbraw/zinc/94/55/68/490945568.db2.gz YKBAHYAEGWXPKT-UHFFFAOYSA-N 2 0 363.506 0.779 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000518606131 490946966 /nfs/dbraw/zinc/94/69/66/490946966.db2.gz BXVZHYCHKVJFKA-KRWDZBQOSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000565253877 491366092 /nfs/dbraw/zinc/36/60/92/491366092.db2.gz KLTIVABAYLTWBD-ILXRZTDVSA-N 2 0 351.495 0.450 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000531357556 490953351 /nfs/dbraw/zinc/95/33/51/490953351.db2.gz ANVQEGVCYHCNHJ-UHFFFAOYSA-N 2 0 370.519 0.552 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000531366149 490954629 /nfs/dbraw/zinc/95/46/29/490954629.db2.gz OHYQJCVASKOGRS-KRWDZBQOSA-N 2 0 357.568 0.751 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000518934799 490955470 /nfs/dbraw/zinc/95/54/70/490955470.db2.gz OKNLKLOLHADYJD-XJKSGUPXSA-N 2 0 358.442 0.660 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000565255705 491366524 /nfs/dbraw/zinc/36/65/24/491366524.db2.gz TVPQXKDGEKIDNS-ZOBUZTSGSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000519227968 490966135 /nfs/dbraw/zinc/96/61/35/490966135.db2.gz WEZYRBRSGSWBRX-ARFHVFGLSA-N 2 0 354.495 0.012 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnc2n[nH]nc2c1 ZINC000544523174 490970915 /nfs/dbraw/zinc/97/09/15/490970915.db2.gz ZXAAKFXDPADPFQ-UHFFFAOYSA-N 2 0 366.429 0.690 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812237 490975419 /nfs/dbraw/zinc/97/54/19/490975419.db2.gz HNAYWLYXVHRMFA-NVXWUHKLSA-N 2 0 363.506 0.419 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)CC1 ZINC000531838326 490976343 /nfs/dbraw/zinc/97/63/43/490976343.db2.gz XRYTUPIMJQWHRC-QZTJIDSGSA-N 2 0 366.554 0.042 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000531832493 490976357 /nfs/dbraw/zinc/97/63/57/490976357.db2.gz HNDMMJMFLQXCDU-UHFFFAOYSA-N 2 0 366.487 0.642 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000519673802 490983506 /nfs/dbraw/zinc/98/35/06/490983506.db2.gz VJZNVOMMMFTAOH-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018322 491957040 /nfs/dbraw/zinc/95/70/40/491957040.db2.gz ACKBACGUQXLNOM-GDBMZVCRSA-N 2 0 367.490 0.677 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000553956629 491166600 /nfs/dbraw/zinc/16/66/00/491166600.db2.gz KLFQDZXNIRPZKB-LSDHHAIUSA-N 2 0 368.522 0.591 20 0 FCADRP CCc1nc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000554047614 491173221 /nfs/dbraw/zinc/17/32/21/491173221.db2.gz OUSLEKFUJOIHFW-CYBMUJFWSA-N 2 0 369.535 0.835 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000668348668 493336020 /nfs/dbraw/zinc/33/60/20/493336020.db2.gz ZHEPWBHUBIAVKW-QGZVFWFLSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)C1=O ZINC000562733772 491185551 /nfs/dbraw/zinc/18/55/51/491185551.db2.gz NAIPDNHCJKOORW-IKGGRYGDSA-N 2 0 372.469 0.267 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000557422462 491373886 /nfs/dbraw/zinc/37/38/86/491373886.db2.gz XFMXKHWSDIOTLU-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@H]2[NH3+])cn1 ZINC000572521770 491376297 /nfs/dbraw/zinc/37/62/97/491376297.db2.gz SHEJDBJTTZOJRA-YTQUADARSA-N 2 0 368.485 0.980 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000557501888 491379120 /nfs/dbraw/zinc/37/91/20/491379120.db2.gz VPCHSWCLOCCQIX-HOCLYGCPSA-N 2 0 354.495 0.202 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CCC[NH2+]1 ZINC000565529350 491382203 /nfs/dbraw/zinc/38/22/03/491382203.db2.gz LUJWAZDTPMQHNM-SFHVURJKSA-N 2 0 363.462 0.690 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000557555022 491382462 /nfs/dbraw/zinc/38/24/62/491382462.db2.gz QSEKWEOJWVIBMO-QGZVFWFLSA-N 2 0 368.522 0.282 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000557561153 491382751 /nfs/dbraw/zinc/38/27/51/491382751.db2.gz FJZZNFNNKZLGDH-HNNXBMFYSA-N 2 0 372.513 0.801 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)c2)CC1 ZINC000673514466 493339233 /nfs/dbraw/zinc/33/92/33/493339233.db2.gz GZXSEUYZSHDOSO-PMACEKPBSA-N 2 0 372.513 0.715 20 0 FCADRP O=C(CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000565646160 491390997 /nfs/dbraw/zinc/39/09/97/491390997.db2.gz BWBZDDLZBCCKGL-GOSISDBHSA-N 2 0 373.501 0.282 20 0 FCADRP Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000565647576 491391119 /nfs/dbraw/zinc/39/11/19/491391119.db2.gz UVTCQPRXKPVAFQ-KRWDZBQOSA-N 2 0 361.490 0.616 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000565668538 491392484 /nfs/dbraw/zinc/39/24/84/491392484.db2.gz BPBCXQKIKSZAOI-PMPSAXMXSA-N 2 0 351.495 0.308 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1CCCC1 ZINC000557743135 491395402 /nfs/dbraw/zinc/39/54/02/491395402.db2.gz RELUSJZWCAKHKG-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000572858849 491397981 /nfs/dbraw/zinc/39/79/81/491397981.db2.gz BBWAOISTUTZGMC-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000565765499 491398161 /nfs/dbraw/zinc/39/81/61/491398161.db2.gz SREJLENGMUXOJL-BBWFWOEESA-N 2 0 353.511 0.039 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2(CCC2)O1 ZINC000572880631 491399643 /nfs/dbraw/zinc/39/96/43/491399643.db2.gz GGKJLNXZEMWEIK-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2(CCC2)O1 ZINC000572880632 491399873 /nfs/dbraw/zinc/39/98/73/491399873.db2.gz GGKJLNXZEMWEIK-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)NCC[NH+](C)C ZINC000572898805 491400797 /nfs/dbraw/zinc/40/07/97/491400797.db2.gz KIEGJSQTCYEPSN-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000565859806 491403684 /nfs/dbraw/zinc/40/36/84/491403684.db2.gz IEHGVJVUEPOTLO-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000565878492 491404651 /nfs/dbraw/zinc/40/46/51/491404651.db2.gz VNRLSMQLIMQUEW-CALCHBBNSA-N 2 0 366.506 0.794 20 0 FCADRP CCN(C(=O)[C@@H](C)[NH+]1CC(C)C1)C1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000573135645 491415458 /nfs/dbraw/zinc/41/54/58/491415458.db2.gz CGNBGRREBHLJIV-HZPDHXFCSA-N 2 0 350.507 0.726 20 0 FCADRP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC000573239066 491422078 /nfs/dbraw/zinc/42/20/78/491422078.db2.gz RBKCJNFNRWQXGB-SOLBZPMBSA-N 2 0 350.463 0.118 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N3CCO[C@@H](C[NH3+])C3)CCCC2)CC1 ZINC000573308216 491425238 /nfs/dbraw/zinc/42/52/38/491425238.db2.gz UUAJIPSWBCLQNR-INIZCTEOSA-N 2 0 354.495 0.779 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346212 491428095 /nfs/dbraw/zinc/42/80/95/491428095.db2.gz BBKPWGVGOJFJJQ-ZIAGYGMSSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244173 491430004 /nfs/dbraw/zinc/43/00/04/491430004.db2.gz DBNSWYGNEDVJTQ-HAGHYFMRSA-N 3 0 374.529 0.498 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000566288852 491433088 /nfs/dbraw/zinc/43/30/88/491433088.db2.gz NCURUQFPUVKXFR-XHSDSOJGSA-N 2 0 364.494 0.649 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000566297933 491433601 /nfs/dbraw/zinc/43/36/01/491433601.db2.gz KEDXCULFRDFGCL-LJQANCHMSA-N 2 0 358.486 0.932 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000566304319 491434072 /nfs/dbraw/zinc/43/40/72/491434072.db2.gz XHGKJBRVHRHPED-YESZJQIVSA-N 2 0 358.490 0.575 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000573505855 491437735 /nfs/dbraw/zinc/43/77/35/491437735.db2.gz DHNMPOWXPRMUGM-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000566396748 491440805 /nfs/dbraw/zinc/44/08/05/491440805.db2.gz BVQKIRDTTWWPMM-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000573674890 491447381 /nfs/dbraw/zinc/44/73/81/491447381.db2.gz GUQBWNXKUJQCOI-IAGOWNOFSA-N 2 0 350.507 0.633 20 0 FCADRP CCC[NH+]1CCN(c2ccccc2CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000566491667 491448057 /nfs/dbraw/zinc/44/80/57/491448057.db2.gz WBZYRZBAQAJDTQ-OALUTQOASA-N 2 0 371.529 0.962 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495094 491448390 /nfs/dbraw/zinc/44/83/90/491448390.db2.gz COOIKVBYPBQRNU-SJLPKXTDSA-N 2 0 356.470 0.613 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495095 491448425 /nfs/dbraw/zinc/44/84/25/491448425.db2.gz COOIKVBYPBQRNU-WMZOPIPTSA-N 2 0 356.470 0.613 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000573960059 491465516 /nfs/dbraw/zinc/46/55/16/491465516.db2.gz ZOXCLBIWMQWEAS-XHSDSOJGSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000573960058 491465541 /nfs/dbraw/zinc/46/55/41/491465541.db2.gz ZOXCLBIWMQWEAS-OAGGEKHMSA-N 2 0 350.507 0.822 20 0 FCADRP CCC(CC)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574035835 491470311 /nfs/dbraw/zinc/47/03/11/491470311.db2.gz CBVWBWVSHSUPEN-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559443995 491473972 /nfs/dbraw/zinc/47/39/72/491473972.db2.gz DIOKDJPVXJPWFC-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566904862 491474337 /nfs/dbraw/zinc/47/43/37/491474337.db2.gz YIXAUWSQKVTJEH-OTWHNJEPSA-N 2 0 357.502 0.663 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000559465672 491475988 /nfs/dbraw/zinc/47/59/88/491475988.db2.gz UCIACCVCZMDVFI-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398050 491493414 /nfs/dbraw/zinc/49/34/14/491493414.db2.gz ZJHXEBRFBQGVCR-JKSUJKDBSA-N 2 0 363.510 0.034 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000567383722 491502917 /nfs/dbraw/zinc/50/29/17/491502917.db2.gz WOOVMWBZRSEATC-GJZGRUSLSA-N 2 0 352.479 0.004 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000574589172 491507474 /nfs/dbraw/zinc/50/74/74/491507474.db2.gz IONKEFBBCDPOKS-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567481334 491508420 /nfs/dbraw/zinc/50/84/20/491508420.db2.gz OQXRUJPURQOZHX-BRWVUGGUSA-N 2 0 374.485 0.311 20 0 FCADRP CCC[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000574640888 491510000 /nfs/dbraw/zinc/51/00/00/491510000.db2.gz OGGMEASAMXBJJY-QGZVFWFLSA-N 2 0 363.506 0.921 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000574645333 491510550 /nfs/dbraw/zinc/51/05/50/491510550.db2.gz QCUCRPOYPZWTJG-QGZVFWFLSA-N 2 0 350.507 0.764 20 0 FCADRP CCS(=O)(=O)N(C)C1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000574692136 491513722 /nfs/dbraw/zinc/51/37/22/491513722.db2.gz PXVJBSHYDFARCJ-ROUUACIJSA-N 2 0 369.531 0.663 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000567571909 491514738 /nfs/dbraw/zinc/51/47/38/491514738.db2.gz MIAQKJBWRBZZOV-OAHLLOKOSA-N 2 0 355.552 0.551 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000567596268 491516614 /nfs/dbraw/zinc/51/66/14/491516614.db2.gz JNYPKHBYTDGMBD-QGZVFWFLSA-N 2 0 368.522 0.947 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668397987 493347787 /nfs/dbraw/zinc/34/77/87/493347787.db2.gz UCVICPRIMJZXJZ-QGZVFWFLSA-N 2 0 366.506 0.348 20 0 FCADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000567638803 491519875 /nfs/dbraw/zinc/51/98/75/491519875.db2.gz GZCBERLQMZHGKB-ZDUSSCGKSA-N 2 0 354.476 0.531 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574868562 491524745 /nfs/dbraw/zinc/52/47/45/491524745.db2.gz BSJDARANXJNLCJ-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567736043 491526180 /nfs/dbraw/zinc/52/61/80/491526180.db2.gz CCTQIIYIWIBMNF-JKSUJKDBSA-N 2 0 361.490 0.752 20 0 FCADRP Cc1ccc(NC(=O)NC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000574907705 491527001 /nfs/dbraw/zinc/52/70/01/491527001.db2.gz GJLFIRSLGQOIMI-KRWDZBQOSA-N 2 0 359.474 0.931 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCCO1 ZINC000575198094 491545625 /nfs/dbraw/zinc/54/56/25/491545625.db2.gz LZKMGPVWNFGSIG-SFHVURJKSA-N 2 0 369.554 0.814 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000568058186 491551072 /nfs/dbraw/zinc/55/10/72/491551072.db2.gz FPGJHJVACHISCF-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000560669412 491551475 /nfs/dbraw/zinc/55/14/75/491551475.db2.gz WDKOIHJGTQVQQK-HNNXBMFYSA-N 2 0 367.538 0.118 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000560667844 491551567 /nfs/dbraw/zinc/55/15/67/491551567.db2.gz WFXNRZLNYHRNAW-INIZCTEOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000560670138 491551898 /nfs/dbraw/zinc/55/18/98/491551898.db2.gz OMKTXZWWUMFEJX-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288173 491567028 /nfs/dbraw/zinc/56/70/28/491567028.db2.gz WDONRKPTRPVHHZ-BZZMCLGOSA-N 2 0 371.485 0.603 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561207728 491583669 /nfs/dbraw/zinc/58/36/69/491583669.db2.gz MGECEOSXNIJXAY-ARFHVFGLSA-N 2 0 351.495 0.357 20 0 FCADRP O=C(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000577071255 491585959 /nfs/dbraw/zinc/58/59/59/491585959.db2.gz IBBULMCXPAUAKL-QZTJIDSGSA-N 2 0 362.518 0.875 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000584396558 491586049 /nfs/dbraw/zinc/58/60/49/491586049.db2.gz RIJFJTWHEGADIX-RDJZCZTQSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000568608992 491590930 /nfs/dbraw/zinc/59/09/30/491590930.db2.gz RAQMIIRAPUOWNW-ZBFHGGJFSA-N 2 0 351.495 0.500 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000576233924 491595943 /nfs/dbraw/zinc/59/59/43/491595943.db2.gz OBVVVKIIPYKGFA-HYVNUMGLSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000576293248 491602298 /nfs/dbraw/zinc/60/22/98/491602298.db2.gz NXJBPPATVIQWIU-MSOLQXFVSA-N 2 0 358.486 0.630 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000577365212 491615243 /nfs/dbraw/zinc/61/52/43/491615243.db2.gz RISPXTIUMGZCSL-KSZLIROESA-N 2 0 354.458 0.743 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000561596751 491620322 /nfs/dbraw/zinc/62/03/22/491620322.db2.gz PAORIHGSBYLRAI-OAHLLOKOSA-N 2 0 368.522 0.545 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724957 491645805 /nfs/dbraw/zinc/64/58/05/491645805.db2.gz RHLMNFYTEVPABN-IRXDYDNUSA-N 2 0 365.522 0.572 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000562001787 491646506 /nfs/dbraw/zinc/64/65/06/491646506.db2.gz PVBBCHSPRSCECH-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CN(C)CCN2C)cc1 ZINC000577742235 491648005 /nfs/dbraw/zinc/64/80/05/491648005.db2.gz FWPWLOARTBTHGL-RBUKOAKNSA-N 2 0 363.502 0.783 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@H]2CC[C@@H](C)C2)C1 ZINC000562038152 491649966 /nfs/dbraw/zinc/64/99/66/491649966.db2.gz LLDABTCZUGDYGA-FGTMMUONSA-N 2 0 355.523 0.942 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000577851419 491656802 /nfs/dbraw/zinc/65/68/02/491656802.db2.gz BICWEEYFGOQTRY-HOTGVXAUSA-N 2 0 371.547 0.734 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411427 491659784 /nfs/dbraw/zinc/65/97/84/491659784.db2.gz IEJLSNPGIROKAE-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1cc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC000578306994 491674263 /nfs/dbraw/zinc/67/42/63/491674263.db2.gz XGBRYIOJKCGFDX-UHFFFAOYSA-N 2 0 360.462 0.221 20 0 FCADRP CC1(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000578306617 491674267 /nfs/dbraw/zinc/67/42/67/491674267.db2.gz ZGULGVWVWARKOU-QGZVFWFLSA-N 2 0 356.536 0.883 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000578497674 491678419 /nfs/dbraw/zinc/67/84/19/491678419.db2.gz UDRFUPNGAODJLF-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578507699 491678681 /nfs/dbraw/zinc/67/86/81/491678681.db2.gz FOVZNDSWEUCJPW-UHFFFAOYSA-N 2 0 352.504 0.754 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000578670630 491682213 /nfs/dbraw/zinc/68/22/13/491682213.db2.gz QKNJPIBLASPSFC-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000578731752 491682950 /nfs/dbraw/zinc/68/29/50/491682950.db2.gz YTKVGAMZQXJPJW-IAGOWNOFSA-N 2 0 367.538 0.119 20 0 FCADRP Cc1cnc([C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000578796944 491684720 /nfs/dbraw/zinc/68/47/20/491684720.db2.gz ZBKKRBXMDHLXBK-ZDUSSCGKSA-N 2 0 369.535 0.623 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000579091397 491690684 /nfs/dbraw/zinc/69/06/84/491690684.db2.gz SPJBEEQHVFFSMG-RBUKOAKNSA-N 2 0 374.533 0.981 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579106576 491690965 /nfs/dbraw/zinc/69/09/65/491690965.db2.gz XYDCPPYULKZSAD-INIZCTEOSA-N 2 0 354.495 0.250 20 0 FCADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359988 491696397 /nfs/dbraw/zinc/69/63/97/491696397.db2.gz YYNQVNMJMIPGBH-QZTJIDSGSA-N 2 0 372.517 0.979 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000579456240 491698138 /nfs/dbraw/zinc/69/81/38/491698138.db2.gz HGVLIZSEQOBKRY-LSDHHAIUSA-N 2 0 364.494 0.461 20 0 FCADRP CN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000579692488 491702972 /nfs/dbraw/zinc/70/29/72/491702972.db2.gz BCJYBMGOSJVXIZ-OAHLLOKOSA-N 2 0 362.540 0.431 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000579931226 491709365 /nfs/dbraw/zinc/70/93/65/491709365.db2.gz UTFGYXMIEMSUOL-DLBZAZTESA-N 2 0 353.511 0.032 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000579931229 491709753 /nfs/dbraw/zinc/70/97/53/491709753.db2.gz UTFGYXMIEMSUOL-SJORKVTESA-N 2 0 353.511 0.032 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584778588 491713966 /nfs/dbraw/zinc/71/39/66/491713966.db2.gz PNMOVXBXFFCZSZ-RHSMWYFYSA-N 2 0 359.474 0.591 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000580058039 491715292 /nfs/dbraw/zinc/71/52/92/491715292.db2.gz RTSRTEIUZZAXMG-IAGOWNOFSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584807884 491715510 /nfs/dbraw/zinc/71/55/10/491715510.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 2 0 368.566 0.291 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000584807886 491715533 /nfs/dbraw/zinc/71/55/33/491715533.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 2 0 368.566 0.291 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000580143403 491719235 /nfs/dbraw/zinc/71/92/35/491719235.db2.gz LMHPBFYJIMPMDT-CVYDXHPNSA-N 2 0 371.485 0.705 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000580212620 491721860 /nfs/dbraw/zinc/72/18/60/491721860.db2.gz SEDYNSJFNCACKR-XQQFMLRXSA-N 2 0 354.476 0.781 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000580319921 491726089 /nfs/dbraw/zinc/72/60/89/491726089.db2.gz FFONEBLXMBAPMZ-INIZCTEOSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000580543533 491735230 /nfs/dbraw/zinc/73/52/30/491735230.db2.gz GXHPLEPRDIFJLX-QQXMDYFESA-N 2 0 369.550 0.814 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000580543534 491735237 /nfs/dbraw/zinc/73/52/37/491735237.db2.gz GXHPLEPRDIFJLX-YKXHTNLXSA-N 2 0 369.550 0.814 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000580629671 491739289 /nfs/dbraw/zinc/73/92/89/491739289.db2.gz CZZNPRTXHHBXLG-MRXNPFEDSA-N 2 0 374.485 0.744 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000580763230 491744648 /nfs/dbraw/zinc/74/46/48/491744648.db2.gz CFOBXDJGCGGHTH-IRXDYDNUSA-N 2 0 365.522 0.572 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000580963941 491753638 /nfs/dbraw/zinc/75/36/38/491753638.db2.gz HFTQJIAMEHXXTF-RBSFLKMASA-N 2 0 363.462 0.616 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589219130 491757329 /nfs/dbraw/zinc/75/73/29/491757329.db2.gz BRYBOQRYNJHHQT-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000581502682 491775653 /nfs/dbraw/zinc/77/56/53/491775653.db2.gz AQSYZDXTMYDJSJ-HNNXBMFYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000581548345 491777259 /nfs/dbraw/zinc/77/72/59/491777259.db2.gz DNLKSHXWQBOGMF-ZIAGYGMSSA-N 2 0 350.463 0.485 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590566170 491779555 /nfs/dbraw/zinc/77/95/55/491779555.db2.gz FWDPCQINWQHXGT-FPCVCCKLSA-N 2 0 370.563 0.822 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000581723578 491784194 /nfs/dbraw/zinc/78/41/94/491784194.db2.gz KBVDMTNUCDYNFG-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000590751318 491785289 /nfs/dbraw/zinc/78/52/89/491785289.db2.gz PCCLRRRSOBWZJV-XHSDSOJGSA-N 2 0 355.479 0.391 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000590817512 491787477 /nfs/dbraw/zinc/78/74/77/491787477.db2.gz RGCUDXQUEZEENN-UHFFFAOYSA-N 2 0 370.519 0.502 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000590954136 491789996 /nfs/dbraw/zinc/78/99/96/491789996.db2.gz UZPMXFXPFKIZDJ-SFHVURJKSA-N 2 0 369.554 0.670 20 0 FCADRP O=C(CC[NH2+]C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582132790 491799480 /nfs/dbraw/zinc/79/94/80/491799480.db2.gz YLWZTBNRAXOQED-MRXNPFEDSA-N 2 0 374.489 0.540 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000591411744 491805084 /nfs/dbraw/zinc/80/50/84/491805084.db2.gz INJWTPCSXLAGTE-PMPSAXMXSA-N 2 0 351.495 0.500 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000582350608 491808503 /nfs/dbraw/zinc/80/85/03/491808503.db2.gz CFKFYRRUGPHNKC-MSOLQXFVSA-N 2 0 373.501 0.041 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CCN2C1=O ZINC000582555953 491817584 /nfs/dbraw/zinc/81/75/84/491817584.db2.gz AAAFHIQYVMDQKT-IRXDYDNUSA-N 2 0 351.410 0.631 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CCN2C1=O ZINC000582555954 491817638 /nfs/dbraw/zinc/81/76/38/491817638.db2.gz AAAFHIQYVMDQKT-SJORKVTESA-N 2 0 351.410 0.631 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000582563723 491818004 /nfs/dbraw/zinc/81/80/04/491818004.db2.gz OMDZRZUYKBWTBZ-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668814 491821821 /nfs/dbraw/zinc/82/18/21/491821821.db2.gz MFMRLMFENJMCCJ-WTTBNOFXSA-N 2 0 363.506 0.606 20 0 FCADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000582670459 491822232 /nfs/dbraw/zinc/82/22/32/491822232.db2.gz YRVVBVAYKHPMPD-QZTJIDSGSA-N 2 0 364.534 0.679 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000582727934 491824130 /nfs/dbraw/zinc/82/41/30/491824130.db2.gz SNQFTTOFJNLWMF-GOEBONIOSA-N 2 0 360.414 0.915 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000582727924 491824250 /nfs/dbraw/zinc/82/42/50/491824250.db2.gz SNQFTTOFJNLWMF-GDBMZVCRSA-N 2 0 360.414 0.915 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000582778272 491826276 /nfs/dbraw/zinc/82/62/76/491826276.db2.gz OJHSQPHXLXNZSP-IAGOWNOFSA-N 2 0 368.522 0.329 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932887 491832910 /nfs/dbraw/zinc/83/29/10/491832910.db2.gz WOZXQXLZACXNKB-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000583440102 491844852 /nfs/dbraw/zinc/84/48/52/491844852.db2.gz KDRYFSMONVBPLF-NRXGSXMXSA-N 2 0 350.507 0.775 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)Cc1ccccc1 ZINC000583802392 491852137 /nfs/dbraw/zinc/85/21/37/491852137.db2.gz ZXOZMUOWLDZQSK-BWTSREIZSA-N 2 0 357.502 0.663 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850459 491853305 /nfs/dbraw/zinc/85/33/05/491853305.db2.gz MWTXLVWGYVKXFR-DZGCQCFKSA-N 2 0 359.492 0.266 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008468 491856560 /nfs/dbraw/zinc/85/65/60/491856560.db2.gz SRWKCQWRFQMCQY-YJBOKZPZSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1[NH3+] ZINC000584226605 491860980 /nfs/dbraw/zinc/86/09/80/491860980.db2.gz CHUWXHHXDCDIIL-DZJNRPSUSA-N 2 0 356.470 0.525 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000611638915 491864405 /nfs/dbraw/zinc/86/44/05/491864405.db2.gz YFIPZKHAVFJDQL-RHSMWYFYSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611638351 491864477 /nfs/dbraw/zinc/86/44/77/491864477.db2.gz SKRCDUDSNNNULR-UNEWFSDZSA-N 2 0 364.490 0.097 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594885713 491871379 /nfs/dbraw/zinc/87/13/79/491871379.db2.gz DHCCJRXMAGNCRF-ROUUACIJSA-N 2 0 371.485 0.213 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000600997500 491892341 /nfs/dbraw/zinc/89/23/41/491892341.db2.gz DCSXTTYNPWDLHV-UHFFFAOYSA-N 2 0 365.478 0.450 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000595333354 491920755 /nfs/dbraw/zinc/92/07/55/491920755.db2.gz SJFZNOYGPQSMTE-KRWDZBQOSA-N 2 0 367.490 0.727 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542461 491930597 /nfs/dbraw/zinc/93/05/97/491930597.db2.gz IVCDHYDCBXZTOR-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000612547960 491932492 /nfs/dbraw/zinc/93/24/92/491932492.db2.gz JCCGBOXCAZDLRG-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546879 491932558 /nfs/dbraw/zinc/93/25/58/491932558.db2.gz WUSSXBXNQHRLNQ-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546880 491932752 /nfs/dbraw/zinc/93/27/52/491932752.db2.gz WUSSXBXNQHRLNQ-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612598760 491937659 /nfs/dbraw/zinc/93/76/59/491937659.db2.gz IYOOSHXBEFOMOT-DLBZAZTESA-N 2 0 366.506 0.345 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599629 491937936 /nfs/dbraw/zinc/93/79/36/491937936.db2.gz ZQSMTANEXCCTSS-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612602104 491938383 /nfs/dbraw/zinc/93/83/83/491938383.db2.gz VUDOICBNYNERAY-KRWDZBQOSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916381 491958694 /nfs/dbraw/zinc/95/86/94/491958694.db2.gz PHRJELISBDALCE-CABCVRRESA-N 2 0 361.494 0.318 20 0 FCADRP COC(=O)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1C ZINC000602452299 491987072 /nfs/dbraw/zinc/98/70/72/491987072.db2.gz UTZMWFQPTXDMGR-UHFFFAOYSA-N 2 0 350.463 0.702 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659983 491990102 /nfs/dbraw/zinc/99/01/02/491990102.db2.gz GHDJALSNWXFTMU-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604388472 492059799 /nfs/dbraw/zinc/05/97/99/492059799.db2.gz FAWAQOLEOBHRNC-LJQANCHMSA-N 2 0 365.566 0.687 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604632829 492065388 /nfs/dbraw/zinc/06/53/88/492065388.db2.gz FVOWMRXAJPSEOC-KRWDZBQOSA-N 2 0 353.511 0.176 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000615089650 492071985 /nfs/dbraw/zinc/07/19/85/492071985.db2.gz LYDHMPRQVYOMFC-KRWDZBQOSA-N 2 0 352.523 0.726 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000615215674 492078878 /nfs/dbraw/zinc/07/88/78/492078878.db2.gz MMZMCSWJTGMXJL-ARFHVFGLSA-N 2 0 358.527 0.094 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)CC1=O ZINC000615311484 492085684 /nfs/dbraw/zinc/08/56/84/492085684.db2.gz ZWRSHVBFILTXAD-VQHPVUNQSA-N 2 0 350.507 0.870 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000605879553 492104548 /nfs/dbraw/zinc/10/45/48/492104548.db2.gz LDWCZHKLHFNVRK-CVEARBPZSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@@H](NC(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700703 492127309 /nfs/dbraw/zinc/12/73/09/492127309.db2.gz OXDLDLKBCXZXEO-AEFFLSMTSA-N 2 0 367.538 0.375 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000607229440 492141679 /nfs/dbraw/zinc/14/16/79/492141679.db2.gz YQPDPUFOFMIAHZ-CALCHBBNSA-N 3 0 357.543 0.621 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250022 492148921 /nfs/dbraw/zinc/14/89/21/492148921.db2.gz HWKHQYOEMXAURV-MRXNPFEDSA-N 2 0 365.478 0.544 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691435 492187522 /nfs/dbraw/zinc/18/75/22/492187522.db2.gz SRFDEBODSDIQLB-GDBMZVCRSA-N 2 0 353.511 0.603 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000618308742 492222632 /nfs/dbraw/zinc/22/26/32/492222632.db2.gz UJLQECGZVOIQJA-MRXNPFEDSA-N 2 0 370.563 0.682 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000610013073 492231553 /nfs/dbraw/zinc/23/15/53/492231553.db2.gz UMXWZPZSCAUKDN-UHFFFAOYSA-N 2 0 355.483 0.132 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000610216444 492237207 /nfs/dbraw/zinc/23/72/07/492237207.db2.gz WKSSNFZFUASPQZ-ZDUSSCGKSA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](CCO)CC3)C2)CC1 ZINC000610732280 492260217 /nfs/dbraw/zinc/26/02/17/492260217.db2.gz TYJZHQKFKFPNDT-GOSISDBHSA-N 2 0 367.538 0.253 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552650 492303791 /nfs/dbraw/zinc/30/37/91/492303791.db2.gz OPORLZAZMMLITI-MSOLQXFVSA-N 2 0 358.486 0.822 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641782395 492305218 /nfs/dbraw/zinc/30/52/18/492305218.db2.gz BJINADSHHXHOPT-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000641825335 492310080 /nfs/dbraw/zinc/31/00/80/492310080.db2.gz SACGZCYJCKHQDO-HOTGVXAUSA-N 2 0 354.495 0.286 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627471202 492310414 /nfs/dbraw/zinc/31/04/14/492310414.db2.gz INHLRLIYBURONJ-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)(N2CCOCC2)CC1 ZINC000641829057 492312211 /nfs/dbraw/zinc/31/22/11/492312211.db2.gz AXOPNTLOTWHWFM-UHFFFAOYSA-N 2 0 367.538 0.519 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647567278 492313549 /nfs/dbraw/zinc/31/35/49/492313549.db2.gz POLYMPAFKVQRNJ-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647569034 492317888 /nfs/dbraw/zinc/31/78/88/492317888.db2.gz ZCODJGUXOINNAX-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000627507446 492326585 /nfs/dbraw/zinc/32/65/85/492326585.db2.gz SVPCACGSMTURBT-YFHUEUNASA-N 2 0 358.486 0.974 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000647595270 492331501 /nfs/dbraw/zinc/33/15/01/492331501.db2.gz YYYACPOJVZCTIN-UONOGXRCSA-N 2 0 356.536 0.706 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000642195247 492340145 /nfs/dbraw/zinc/34/01/45/492340145.db2.gz SERHJHQDVOYSFS-XSLAGTTESA-N 2 0 356.470 0.616 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236411 492343555 /nfs/dbraw/zinc/34/35/55/492343555.db2.gz NAVWWXYTGBWMKE-OAFZBRQQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000642253991 492345372 /nfs/dbraw/zinc/34/53/72/492345372.db2.gz VGJFDMLKZLBTFB-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000654736556 492345876 /nfs/dbraw/zinc/34/58/76/492345876.db2.gz AYBJMNXFMYQOIX-JKSUJKDBSA-N 2 0 351.495 0.419 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000642321278 492350524 /nfs/dbraw/zinc/35/05/24/492350524.db2.gz UALMNZDMRJICKV-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330387 492351691 /nfs/dbraw/zinc/35/16/91/492351691.db2.gz DAIVEZAVQHSNJQ-NPJQDHAYSA-N 2 0 354.495 0.044 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345404 492353299 /nfs/dbraw/zinc/35/32/99/492353299.db2.gz LMMQXECJASFYLD-HNNXBMFYSA-N 3 0 365.522 0.049 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000642439386 492357944 /nfs/dbraw/zinc/35/79/44/492357944.db2.gz DMLMOBHHMMYBMB-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642495872 492359841 /nfs/dbraw/zinc/35/98/41/492359841.db2.gz ZCHUBKAVBNGFDG-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CC(C)C ZINC000642531615 492361898 /nfs/dbraw/zinc/36/18/98/492361898.db2.gz CXTWGOCWMMOIIN-OWCLPIDISA-N 2 0 356.511 0.434 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642550345 492363882 /nfs/dbraw/zinc/36/38/82/492363882.db2.gz AMASLAZCYGKHFV-CEXWTWQISA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640656 492368438 /nfs/dbraw/zinc/36/84/38/492368438.db2.gz FFKRFDSRNZYNEO-XOYOTBSWSA-N 2 0 358.486 0.867 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642645036 492370214 /nfs/dbraw/zinc/37/02/14/492370214.db2.gz GCSAADZBWIDGIJ-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634834060 492371413 /nfs/dbraw/zinc/37/14/13/492371413.db2.gz TYKNEBWDCAHDGZ-CALCHBBNSA-N 2 0 359.474 0.882 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000642708026 492376643 /nfs/dbraw/zinc/37/66/43/492376643.db2.gz LGPGIPTVLLUURS-YJBOKZPZSA-N 2 0 374.485 0.473 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000642731684 492381993 /nfs/dbraw/zinc/38/19/93/492381993.db2.gz JHLRCVHPEIOBEV-VBNZEHGJSA-N 2 0 366.437 0.119 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642733047 492382945 /nfs/dbraw/zinc/38/29/45/492382945.db2.gz TTYPVGDNZMHVOT-YJBOKZPZSA-N 2 0 374.485 0.126 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000642733851 492383183 /nfs/dbraw/zinc/38/31/83/492383183.db2.gz VAVQVBDODNHUEB-JQHSSLGASA-N 2 0 374.485 0.514 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000642750517 492385382 /nfs/dbraw/zinc/38/53/82/492385382.db2.gz PEWYDFNPHSIRKA-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977764 492389991 /nfs/dbraw/zinc/38/99/91/492389991.db2.gz HFUZVWHXIJKPAV-JKSUJKDBSA-N 2 0 374.551 0.096 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000642800055 492395606 /nfs/dbraw/zinc/39/56/06/492395606.db2.gz IPTFGZZXLSNWLD-QZTJIDSGSA-N 2 0 358.486 0.617 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642801822 492396081 /nfs/dbraw/zinc/39/60/81/492396081.db2.gz KPAVGCJTSCSSGH-PKOBYXMFSA-N 2 0 370.497 0.978 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)cc1 ZINC000642881458 492396648 /nfs/dbraw/zinc/39/66/48/492396648.db2.gz XPYXYVOTMBMVSQ-SFHVURJKSA-N 2 0 374.485 0.817 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Cc1ccc(F)cc1 ZINC000642808938 492396679 /nfs/dbraw/zinc/39/66/79/492396679.db2.gz KTFGPYUMRHSWBQ-UHFFFAOYSA-N 2 0 350.438 0.714 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)C1 ZINC000642889231 492397218 /nfs/dbraw/zinc/39/72/18/492397218.db2.gz DDOURNSGZDWVSF-MRXNPFEDSA-N 2 0 365.522 0.003 20 0 FCADRP O=C([C@H]1C[NH2+]CCOC1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119102 492402217 /nfs/dbraw/zinc/40/22/17/492402217.db2.gz OMXPOFITFKUIJE-KBPBESRZSA-N 2 0 350.488 0.850 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918568 492403863 /nfs/dbraw/zinc/40/38/63/492403863.db2.gz YSEOYPCDHNMCFZ-UHFFFAOYSA-N 2 0 368.428 0.723 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000642919147 492404011 /nfs/dbraw/zinc/40/40/11/492404011.db2.gz PSVMTMKXHLBGBM-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000642918600 492404185 /nfs/dbraw/zinc/40/41/85/492404185.db2.gz ZMTOKDGAKVPTCH-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642940944 492405444 /nfs/dbraw/zinc/40/54/44/492405444.db2.gz NBAVKLZZMUAVIG-WBVHZDCISA-N 2 0 367.538 0.103 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958473 492406896 /nfs/dbraw/zinc/40/68/96/492406896.db2.gz AJJZJGUHOZZFOA-HOCLYGCPSA-N 2 0 366.506 0.693 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000648143669 492407026 /nfs/dbraw/zinc/40/70/26/492407026.db2.gz XONRHLWSIUXJGI-CABCVRRESA-N 2 0 357.520 0.391 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979906 492409570 /nfs/dbraw/zinc/40/95/70/492409570.db2.gz OOQRSAQGYPLXKR-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000642981942 492410488 /nfs/dbraw/zinc/41/04/88/492410488.db2.gz LUXZJVCUFUDIJU-AQFXKWCLSA-N 2 0 350.507 0.968 20 0 FCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000648178236 492412541 /nfs/dbraw/zinc/41/25/41/492412541.db2.gz HMFDHUXJLJYIJL-HUUCEWRRSA-N 2 0 351.495 0.498 20 0 FCADRP O=C([C@H]1C[NH2+]CCOC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000648179139 492412896 /nfs/dbraw/zinc/41/28/96/492412896.db2.gz GERDGAOMQKQYNC-INIZCTEOSA-N 2 0 361.490 0.819 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642991946 492413156 /nfs/dbraw/zinc/41/31/56/492413156.db2.gz CFSCTDQCTCWOAB-QGZVFWFLSA-N 2 0 362.474 0.072 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[NH+](C)C)c1 ZINC000621837863 492421652 /nfs/dbraw/zinc/42/16/52/492421652.db2.gz SATHQXASWCMNQM-KNBMTAEXSA-N 2 0 374.485 0.754 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000621839506 492422591 /nfs/dbraw/zinc/42/25/91/492422591.db2.gz UHTUNBNNRMMVBM-WRWLIDTKSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621844082 492424624 /nfs/dbraw/zinc/42/46/24/492424624.db2.gz OVIJUPADANVFBZ-NKMKZGIRSA-N 2 0 370.497 0.963 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843271 492424682 /nfs/dbraw/zinc/42/46/82/492424682.db2.gz BRVRCPBGAXHRLV-LAUBAEHRSA-N 2 0 370.497 0.542 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843272 492424695 /nfs/dbraw/zinc/42/46/95/492424695.db2.gz BRVRCPBGAXHRLV-UTKZUKDTSA-N 2 0 370.497 0.542 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845808 492426053 /nfs/dbraw/zinc/42/60/53/492426053.db2.gz PTEOCZKXXRJLHT-DNVCBOLYSA-N 2 0 362.449 0.714 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233541 492432904 /nfs/dbraw/zinc/43/29/04/492432904.db2.gz VZICBUDFCZGAJN-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014184 492440419 /nfs/dbraw/zinc/44/04/19/492440419.db2.gz ASDZHOHCYARHHN-GDBMZVCRSA-N 2 0 355.508 0.563 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622030563 492445050 /nfs/dbraw/zinc/44/50/50/492445050.db2.gz XPNUDVQOXNGFII-KXBFYZLASA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCO2)CC1 ZINC000635512316 492462883 /nfs/dbraw/zinc/46/28/83/492462883.db2.gz KAAZJRBNJGMOIH-KRWDZBQOSA-N 2 0 350.507 0.337 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635543803 492467782 /nfs/dbraw/zinc/46/77/82/492467782.db2.gz WXGOABCIUWGHOJ-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000643484615 492478298 /nfs/dbraw/zinc/47/82/98/492478298.db2.gz HUJZNBJHGMZSDZ-GOSISDBHSA-N 2 0 358.486 0.979 20 0 FCADRP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483365 492478481 /nfs/dbraw/zinc/47/84/81/492478481.db2.gz XYSQRMLDZQCJNW-ZWKOTPCHSA-N 2 0 362.518 0.779 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643489792 492479759 /nfs/dbraw/zinc/47/97/59/492479759.db2.gz PZBGORSOLYJHJZ-ULQDDVLXSA-N 2 0 350.507 0.635 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643490262 492479891 /nfs/dbraw/zinc/47/98/91/492479891.db2.gz IYZQEXLHRCDJDN-JKSUJKDBSA-N 2 0 356.511 0.387 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)o1 ZINC000643494314 492481394 /nfs/dbraw/zinc/48/13/94/492481394.db2.gz QHFYMPOZKZUUSF-RDJZCZTQSA-N 2 0 362.474 0.689 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000643503627 492483462 /nfs/dbraw/zinc/48/34/62/492483462.db2.gz OLBMYNUTZXXUNJ-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000643511216 492485293 /nfs/dbraw/zinc/48/52/93/492485293.db2.gz SNACTVPLZIVBFI-HOTGVXAUSA-N 2 0 356.511 0.389 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCO1 ZINC000643516173 492487066 /nfs/dbraw/zinc/48/70/66/492487066.db2.gz WMXAZCSMGVIKJQ-MYBQVCMBSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643524407 492490171 /nfs/dbraw/zinc/49/01/71/492490171.db2.gz WJQCYCKAZYXXSK-GOEBONIOSA-N 2 0 364.515 0.849 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531824 492491352 /nfs/dbraw/zinc/49/13/52/492491352.db2.gz OQYXWPCJNYVKRG-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643532043 492491886 /nfs/dbraw/zinc/49/18/86/492491886.db2.gz AQHGJAXVYXMUFO-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC[C@H]1[NH3+] ZINC000643539790 492493636 /nfs/dbraw/zinc/49/36/36/492493636.db2.gz JPLXVYDBRPGLGK-IXDOHACOSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000643539785 492493692 /nfs/dbraw/zinc/49/36/92/492493692.db2.gz INZWGOWPRNSXNP-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000643544922 492496306 /nfs/dbraw/zinc/49/63/06/492496306.db2.gz SUQRBTJXCGVSTD-IAGOWNOFSA-N 2 0 350.507 0.633 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC[C@@H]21 ZINC000643549856 492497716 /nfs/dbraw/zinc/49/77/16/492497716.db2.gz WRMWEFGEZVWMRT-SQNIBIBYSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC000655958935 492498018 /nfs/dbraw/zinc/49/80/18/492498018.db2.gz PMSHWKIRQNGQDA-ZTFGCOKTSA-N 2 0 371.485 0.969 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000643564582 492499336 /nfs/dbraw/zinc/49/93/36/492499336.db2.gz WHBRPCXGQVRQCW-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCCOCC3)CC2)C1 ZINC000655971779 492500242 /nfs/dbraw/zinc/50/02/42/492500242.db2.gz RVNNZYOHVIBXNN-KRWDZBQOSA-N 2 0 353.511 0.130 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000655973382 492500269 /nfs/dbraw/zinc/50/02/69/492500269.db2.gz FQZALKKMVMRDGA-BBWFWOEESA-N 2 0 363.506 0.609 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643586155 492500943 /nfs/dbraw/zinc/50/09/43/492500943.db2.gz YASHMLAAGAFITC-NJAFHUGGSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2)C1 ZINC000643593473 492502412 /nfs/dbraw/zinc/50/24/12/492502412.db2.gz AULSNSXTYRPASS-LVCYWYKZSA-N 2 0 370.497 0.742 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087992 492508343 /nfs/dbraw/zinc/50/83/43/492508343.db2.gz RTEPXDGRPUUDNY-UHFFFAOYSA-N 2 0 352.527 0.538 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC[NH+](C)C ZINC000623087786 492508595 /nfs/dbraw/zinc/50/85/95/492508595.db2.gz IEEGDYONLJWMLR-UHFFFAOYSA-N 2 0 362.927 0.961 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649277517 492517892 /nfs/dbraw/zinc/51/78/92/492517892.db2.gz BVIQDHQCUKMTPB-DLBZAZTESA-N 2 0 370.457 0.443 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[N@H+](C)CCc3ccccc3)CC2)C1=O ZINC000635925944 492528778 /nfs/dbraw/zinc/52/87/78/492528778.db2.gz DBVAJHMJLHPDII-IBGZPJMESA-N 2 0 372.513 0.972 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C1 ZINC000649320863 492532116 /nfs/dbraw/zinc/53/21/16/492532116.db2.gz CNMUEOFQSPJPNA-MLHJIOFPSA-N 2 0 356.470 0.751 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334017 492537298 /nfs/dbraw/zinc/53/72/98/492537298.db2.gz BUJJQWRNZYLUPU-MRXNPFEDSA-N 2 0 360.506 0.247 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347179 492542307 /nfs/dbraw/zinc/54/23/07/492542307.db2.gz JHGGPLNQXHGRBX-ZIAGYGMSSA-N 2 0 356.430 0.782 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347304 492542684 /nfs/dbraw/zinc/54/26/84/492542684.db2.gz PIYXTYDHFGYBDS-HUUCEWRRSA-N 2 0 370.457 1.000 20 0 FCADRP c1ccc(N2CCN(C[C@@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414518 492552889 /nfs/dbraw/zinc/55/28/89/492552889.db2.gz DZJZTEILXBCSBO-HXUWFJFHSA-N 2 0 372.561 0.821 20 0 FCADRP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1C[C@H]1CCC[NH+]1C ZINC000649564816 492562922 /nfs/dbraw/zinc/56/29/22/492562922.db2.gz YOOGZMCEMDGLFX-KURKYZTESA-N 2 0 351.539 0.249 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656294490 492573575 /nfs/dbraw/zinc/57/35/75/492573575.db2.gz AZMGMEIJWUQEGF-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656320899 492591509 /nfs/dbraw/zinc/59/15/09/492591509.db2.gz XCMYJMUQXZTFAM-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656336897 492600494 /nfs/dbraw/zinc/60/04/94/492600494.db2.gz DLHMDGCBHUHFGU-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000624033864 492614673 /nfs/dbraw/zinc/61/46/73/492614673.db2.gz XBAYLASHBPSANW-SFHVURJKSA-N 2 0 373.501 0.526 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629788191 492671762 /nfs/dbraw/zinc/67/17/62/492671762.db2.gz NAANAKLJLNJLDL-OLZOCXBDSA-N 2 0 364.412 0.526 20 0 FCADRP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000636727766 492673062 /nfs/dbraw/zinc/67/30/62/492673062.db2.gz SUSDYTKSXGKKAV-IBGZPJMESA-N 2 0 368.522 0.633 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000629792625 492673635 /nfs/dbraw/zinc/67/36/35/492673635.db2.gz WAKKIBKYDLFXKL-QGZVFWFLSA-N 2 0 361.490 0.702 20 0 FCADRP COCCOCCN1CCN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000650850466 492675664 /nfs/dbraw/zinc/67/56/64/492675664.db2.gz PZLQIWQYJHXIGI-IRXDYDNUSA-N 2 0 372.510 0.086 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629805672 492681367 /nfs/dbraw/zinc/68/13/67/492681367.db2.gz OMCQWXRHMIEVLI-KDURUIRLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624787023 492684030 /nfs/dbraw/zinc/68/40/30/492684030.db2.gz OLALZXBITBMCMD-GDBMZVCRSA-N 2 0 351.495 0.765 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000629811453 492684229 /nfs/dbraw/zinc/68/42/29/492684229.db2.gz FOXQSFLMRIQWLV-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[C@H]1C(F)(F)F ZINC000629814075 492685644 /nfs/dbraw/zinc/68/56/44/492685644.db2.gz OTMYUUJOXRCFJZ-HZSPNIEDSA-N 2 0 374.407 0.445 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000629814275 492686391 /nfs/dbraw/zinc/68/63/91/492686391.db2.gz HFFKCWBMJDBGCV-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000629816073 492687119 /nfs/dbraw/zinc/68/71/19/492687119.db2.gz USQWGGFHWNCQDF-QGZVFWFLSA-N 2 0 366.506 0.014 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CCOCCOC)CC1 ZINC000651097850 492707825 /nfs/dbraw/zinc/70/78/25/492707825.db2.gz YWWMMACKWBLRIK-KRWDZBQOSA-N 2 0 356.511 0.851 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000636907290 492725536 /nfs/dbraw/zinc/72/55/36/492725536.db2.gz MZFDEWLGCCGCTP-CLCXKQKWSA-N 2 0 366.506 0.527 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630588244 492754582 /nfs/dbraw/zinc/75/45/82/492754582.db2.gz BIGKZTQYNOGGNI-GOSISDBHSA-N 2 0 350.511 0.601 20 0 FCADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000644531906 492782654 /nfs/dbraw/zinc/78/26/54/492782654.db2.gz BNSGNWIKFYJHOA-UHFFFAOYSA-N 2 0 356.488 0.656 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000644539384 492783977 /nfs/dbraw/zinc/78/39/77/492783977.db2.gz GKJDCMCWZCUGSZ-GOEBONIOSA-N 2 0 353.438 0.742 20 0 FCADRP COCCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000625465628 492789591 /nfs/dbraw/zinc/78/95/91/492789591.db2.gz JVFVMRZYRAGXBF-UHFFFAOYSA-N 2 0 356.511 0.213 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000637259378 492801013 /nfs/dbraw/zinc/80/10/13/492801013.db2.gz VVVVNIUXYQTCMF-OAGGEKHMSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631163204 492801337 /nfs/dbraw/zinc/80/13/37/492801337.db2.gz LTOLLPGXYPYZEX-TVFCKZIOSA-N 2 0 364.534 0.929 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870264 492806180 /nfs/dbraw/zinc/80/61/80/492806180.db2.gz ISFFUYMQVXMNDY-MRXNPFEDSA-N 2 0 359.474 0.530 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873186 492807426 /nfs/dbraw/zinc/80/74/26/492807426.db2.gz GZSBQCXDHUHRHU-MRXNPFEDSA-N 2 0 359.474 0.530 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375724 492816598 /nfs/dbraw/zinc/81/65/98/492816598.db2.gz QMLJHHPDULTNHZ-HOCLYGCPSA-N 2 0 353.511 0.698 20 0 FCADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000631777804 492850979 /nfs/dbraw/zinc/85/09/79/492850979.db2.gz NZAJLOITYORBEU-QGZVFWFLSA-N 2 0 360.568 0.665 20 0 FCADRP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830217 492858782 /nfs/dbraw/zinc/85/87/82/492858782.db2.gz MMHNHONSLNUFTE-LSDHHAIUSA-N 2 0 356.478 0.778 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)nn1 ZINC000631847317 492862984 /nfs/dbraw/zinc/86/29/84/492862984.db2.gz RPNWRBPDEZWUTM-CQSZACIVSA-N 2 0 359.821 0.845 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631857019 492864731 /nfs/dbraw/zinc/86/47/31/492864731.db2.gz CJKQIECRYXFMQW-IAGOWNOFSA-N 2 0 360.568 0.758 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[NH+](C)C)c1 ZINC000645178784 492874930 /nfs/dbraw/zinc/87/49/30/492874930.db2.gz PAGOXMXOORWIHX-IAGOWNOFSA-N 2 0 362.474 0.672 20 0 FCADRP Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000645221291 492879619 /nfs/dbraw/zinc/87/96/19/492879619.db2.gz LSAVJYHLFZGCPW-UHFFFAOYSA-N 2 0 355.446 0.868 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000631922700 492886156 /nfs/dbraw/zinc/88/61/56/492886156.db2.gz CLNKQXBEGXXFJP-KRWDZBQOSA-N 2 0 358.552 0.514 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000631928155 492889212 /nfs/dbraw/zinc/88/92/12/492889212.db2.gz ROIUNSKSPGSYOH-RHSMWYFYSA-N 2 0 356.536 0.864 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000631932270 492891432 /nfs/dbraw/zinc/89/14/32/492891432.db2.gz SHHILKBFLBZUMS-UHFFFAOYSA-N 2 0 358.552 0.419 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC000631975481 492902342 /nfs/dbraw/zinc/90/23/42/492902342.db2.gz GJIDZUGOJVMKRB-KRWDZBQOSA-N 2 0 358.552 0.514 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652268679 492902664 /nfs/dbraw/zinc/90/26/64/492902664.db2.gz HUNQBANEUJJUGR-HNNXBMFYSA-N 2 0 365.453 0.814 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000638100355 492905687 /nfs/dbraw/zinc/90/56/87/492905687.db2.gz YOSBHCAMHHFBQX-SFHVURJKSA-N 2 0 360.458 0.462 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000632018856 492911412 /nfs/dbraw/zinc/91/14/12/492911412.db2.gz KMCKJZDZNNERDK-SJORKVTESA-N 2 0 360.568 0.758 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348167 492913302 /nfs/dbraw/zinc/91/33/02/492913302.db2.gz WGJJZDMOODWHLC-XAJHFOFHSA-N 2 0 366.506 0.317 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638134720 492913758 /nfs/dbraw/zinc/91/37/58/492913758.db2.gz OFJFHCKZBFJVLI-YUSALJHKSA-N 2 0 354.405 0.963 20 0 FCADRP C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CC[NH3+] ZINC000652355149 492915115 /nfs/dbraw/zinc/91/51/15/492915115.db2.gz QEAGJTZFWFBZAV-IAGOWNOFSA-N 2 0 360.506 0.965 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632032069 492915575 /nfs/dbraw/zinc/91/55/75/492915575.db2.gz SAIHUQRIFIRTNO-QGZVFWFLSA-N 2 0 360.568 0.665 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC000638137970 492915616 /nfs/dbraw/zinc/91/56/16/492915616.db2.gz RPUSHUFBDDAPNP-UHFFFAOYSA-N 2 0 359.518 0.529 20 0 FCADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652360471 492916056 /nfs/dbraw/zinc/91/60/56/492916056.db2.gz IXKGODCUJAVFMO-BRWVUGGUSA-N 2 0 352.479 0.038 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141428 492916787 /nfs/dbraw/zinc/91/67/87/492916787.db2.gz UHTMOJIPFZJGTQ-PKOBYXMFSA-N 3 0 361.490 0.477 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@@H]4OCC[NH2+][C@H]4C3)cc21 ZINC000638228143 492923926 /nfs/dbraw/zinc/92/39/26/492923926.db2.gz UVMFVKRUSUPXHQ-RDJZCZTQSA-N 2 0 373.457 0.506 20 0 FCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226406 492924127 /nfs/dbraw/zinc/92/41/27/492924127.db2.gz ILFVTSKRWLYGSL-MOPGFXCFSA-N 2 0 372.513 0.959 20 0 FCADRP COc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000658534807 492935011 /nfs/dbraw/zinc/93/50/11/492935011.db2.gz DAKOMHSWYOQAQR-UHFFFAOYSA-N 2 0 364.490 0.572 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632126883 492935357 /nfs/dbraw/zinc/93/53/57/492935357.db2.gz FZTNNIHXNKCYRT-SFHVURJKSA-N 2 0 374.595 0.911 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255374 492959051 /nfs/dbraw/zinc/95/90/51/492959051.db2.gz QNCUKKQCPASEGS-IRXDYDNUSA-N 2 0 360.568 0.664 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000638556520 492960506 /nfs/dbraw/zinc/96/05/06/492960506.db2.gz LZFHZMMGMJNAOS-OLZOCXBDSA-N 2 0 359.396 0.948 20 0 FCADRP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1=O ZINC000638720237 492973360 /nfs/dbraw/zinc/97/33/60/492973360.db2.gz SGHXIOMQRBPGDB-ACJLOTCBSA-N 2 0 352.479 0.532 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638804862 492980315 /nfs/dbraw/zinc/98/03/15/492980315.db2.gz YEWVTDWWYHXSSY-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)C1=O ZINC000638856846 492982598 /nfs/dbraw/zinc/98/25/98/492982598.db2.gz VBVDOHUMUJVWCI-QZTJIDSGSA-N 2 0 356.470 0.685 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000638857021 492982661 /nfs/dbraw/zinc/98/26/61/492982661.db2.gz WRZRLGFZVJBBSH-ZWKOTPCHSA-N 2 0 374.485 0.376 20 0 FCADRP C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)C1CC[NH2+]CC1 ZINC000638855639 492982907 /nfs/dbraw/zinc/98/29/07/492982907.db2.gz GNFQKDXEMYMXBT-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000658623011 492984697 /nfs/dbraw/zinc/98/46/97/492984697.db2.gz VNLHCDUONMLWHW-UHFFFAOYSA-N 2 0 370.538 0.744 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000652679754 492987131 /nfs/dbraw/zinc/98/71/31/492987131.db2.gz MQEHJIHPBCSPIB-JYJNAYRXSA-N 2 0 366.506 0.332 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000638987970 492990566 /nfs/dbraw/zinc/99/05/66/492990566.db2.gz PYMRRLVRSJDXGQ-NWDGAFQWSA-N 2 0 371.363 0.887 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC000645941217 492990991 /nfs/dbraw/zinc/99/09/91/492990991.db2.gz URKRLEBMAWGTRW-FGTMMUONSA-N 2 0 350.507 0.097 20 0 FCADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009505 492999977 /nfs/dbraw/zinc/99/99/77/492999977.db2.gz OHGLTCDEEXPWRH-RTBURBONSA-N 2 0 360.502 0.989 20 0 FCADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009502 493000014 /nfs/dbraw/zinc/00/00/14/493000014.db2.gz OHGLTCDEEXPWRH-MOPGFXCFSA-N 2 0 360.502 0.989 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652724870 493004010 /nfs/dbraw/zinc/00/40/10/493004010.db2.gz OTQSJDQQKGIFAB-GASCZTMLSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(F)c1F ZINC000632487567 493008077 /nfs/dbraw/zinc/00/80/77/493008077.db2.gz ODNKRPPVXKHTOW-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652731003 493009463 /nfs/dbraw/zinc/00/94/63/493009463.db2.gz YWIMYFPCWXJXCT-YQQAZPJKSA-N 2 0 366.506 0.284 20 0 FCADRP CS(=O)(=O)N1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639440921 493010047 /nfs/dbraw/zinc/01/00/47/493010047.db2.gz RQTNYKWNTDVYJR-SFHVURJKSA-N 2 0 367.515 0.591 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@H]2C1 ZINC000626811427 493024735 /nfs/dbraw/zinc/02/47/35/493024735.db2.gz DKYDJRPQVXGXKP-CJNGLKHVSA-N 2 0 358.442 0.660 20 0 FCADRP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851496 493056110 /nfs/dbraw/zinc/05/61/10/493056110.db2.gz MXDKEKGLHUIJGT-ICSRJNTNSA-N 2 0 361.486 0.716 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000626971447 493071860 /nfs/dbraw/zinc/07/18/60/493071860.db2.gz IBXYMNBDEFFXQL-OAHLLOKOSA-N 2 0 354.495 0.698 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626971967 493072156 /nfs/dbraw/zinc/07/21/56/493072156.db2.gz CUNBMSXETSKIQY-MGPQQGTHSA-N 2 0 365.444 0.791 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000653124597 493075400 /nfs/dbraw/zinc/07/54/00/493075400.db2.gz BMHDVXDKSDALQZ-IBGZPJMESA-N 2 0 361.534 0.590 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653125311 493076419 /nfs/dbraw/zinc/07/64/19/493076419.db2.gz WABALHHKDBQEDA-ICSRJNTNSA-N 2 0 358.486 0.286 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000626994810 493077070 /nfs/dbraw/zinc/07/70/70/493077070.db2.gz JJWTWBVEZFNYOC-UHFFFAOYSA-N 2 0 364.490 0.760 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000646666683 493081602 /nfs/dbraw/zinc/08/16/02/493081602.db2.gz WZJCPFDQTSSPIF-ZWKOTPCHSA-N 2 0 373.501 0.607 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[C@H]1C(F)(F)F ZINC000627044512 493084789 /nfs/dbraw/zinc/08/47/89/493084789.db2.gz NEJGPHAWGLEIBI-QWHCGFSZSA-N 2 0 352.401 0.877 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000627113867 493089532 /nfs/dbraw/zinc/08/95/32/493089532.db2.gz OXAWQWVNNVVCOP-WWGRRREGSA-N 2 0 354.401 0.698 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114009 493089988 /nfs/dbraw/zinc/08/99/88/493089988.db2.gz TXBOUKABBXWEIK-BRWVUGGUSA-N 2 0 350.438 0.637 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000653374576 493106402 /nfs/dbraw/zinc/10/64/02/493106402.db2.gz KVPSTLXABTYRGC-UHFFFAOYSA-N 2 0 361.490 0.822 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000633034187 493107729 /nfs/dbraw/zinc/10/77/29/493107729.db2.gz WSGRIAOAIFYHDO-IYBDPMFKSA-N 2 0 373.457 0.478 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000627228180 493111740 /nfs/dbraw/zinc/11/17/40/493111740.db2.gz HZXNKAZRJWDNOR-SJORKVTESA-N 2 0 361.494 0.972 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633084587 493118526 /nfs/dbraw/zinc/11/85/26/493118526.db2.gz NECKQWPYRISYJU-OALUTQOASA-N 2 0 370.497 0.726 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259004 493120067 /nfs/dbraw/zinc/12/00/67/493120067.db2.gz KOARIVQYBNKJFM-QZTJIDSGSA-N 2 0 373.501 0.261 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1)CC1CC1 ZINC000633098220 493123952 /nfs/dbraw/zinc/12/39/52/493123952.db2.gz MGMHAQLDSPWWLE-ROUUACIJSA-N 2 0 362.518 0.920 20 0 FCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633101285 493125234 /nfs/dbraw/zinc/12/52/34/493125234.db2.gz MXDSWPYGMLUDJK-WMZOPIPTSA-N 2 0 371.485 0.719 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000627287646 493134198 /nfs/dbraw/zinc/13/41/98/493134198.db2.gz BMDBQLQLMJKWLM-UHFFFAOYSA-N 2 0 354.495 0.193 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1)c1ccccc1 ZINC000640836481 493134352 /nfs/dbraw/zinc/13/43/52/493134352.db2.gz GALATCUIMPNOKV-AOIWGVFYSA-N 2 0 372.473 0.876 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627292046 493136432 /nfs/dbraw/zinc/13/64/32/493136432.db2.gz KNTNLVDCXXTTSX-KGLIPLIRSA-N 2 0 366.487 0.106 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627291902 493136530 /nfs/dbraw/zinc/13/65/30/493136530.db2.gz HPXXYLCGENYDHX-SJORKVTESA-N 2 0 362.474 0.073 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633150500 493136848 /nfs/dbraw/zinc/13/68/48/493136848.db2.gz YTQFPXRSLYRYPV-RDJZCZTQSA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000627292309 493136803 /nfs/dbraw/zinc/13/68/03/493136803.db2.gz REZYIUGCKFMLLC-ZWKOTPCHSA-N 2 0 360.502 0.732 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149924 493136855 /nfs/dbraw/zinc/13/68/55/493136855.db2.gz XOEGJBDZYMQSAI-DZJNRPSUSA-N 2 0 356.470 0.525 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627292319 493136976 /nfs/dbraw/zinc/13/69/76/493136976.db2.gz RLHUAJYGSGQWJI-SJORKVTESA-N 2 0 362.474 0.290 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627295312 493138153 /nfs/dbraw/zinc/13/81/53/493138153.db2.gz ZWFPPLHVOGWLNB-RWMBFGLXSA-N 2 0 366.428 0.819 20 0 FCADRP CCCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646980799 493139630 /nfs/dbraw/zinc/13/96/30/493139630.db2.gz XZPRAZIYYXPFHT-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659072853 493139967 /nfs/dbraw/zinc/13/99/67/493139967.db2.gz CYRLVNHMPVXBHA-ZTFGCOKTSA-N 2 0 372.469 0.839 20 0 FCADRP CCCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646984127 493141793 /nfs/dbraw/zinc/14/17/93/493141793.db2.gz IKHUMLKOVJQBCZ-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316223 493145531 /nfs/dbraw/zinc/14/55/31/493145531.db2.gz CMMWELBOTTWSRW-MULDDASSSA-N 2 0 360.502 0.338 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312473 493146256 /nfs/dbraw/zinc/14/62/56/493146256.db2.gz ZKLBQGNKPBUMDL-VVLHAWIVSA-N 2 0 352.523 0.925 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627318786 493150388 /nfs/dbraw/zinc/15/03/88/493150388.db2.gz AGLBDWDIYBLTRP-ZYHUDNBSSA-N 2 0 350.385 0.183 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000627321585 493152237 /nfs/dbraw/zinc/15/22/37/493152237.db2.gz RWAQAIKYLAFSIB-OAHLLOKOSA-N 2 0 370.881 0.493 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334765 493158973 /nfs/dbraw/zinc/15/89/73/493158973.db2.gz ZWHLVIDOFRSUSO-MRXNPFEDSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627335016 493158988 /nfs/dbraw/zinc/15/89/88/493158988.db2.gz ILMZBYDPHNEGIB-RDJZCZTQSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006187 493161551 /nfs/dbraw/zinc/16/15/51/493161551.db2.gz XQWPWHPCEOSUSA-WBVHZDCISA-N 2 0 372.473 0.705 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000653594238 493162649 /nfs/dbraw/zinc/16/26/49/493162649.db2.gz FSEZALUUWFHFBS-LJQANCHMSA-N 2 0 356.555 0.416 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000653594237 493162692 /nfs/dbraw/zinc/16/26/92/493162692.db2.gz FSEZALUUWFHFBS-IBGZPJMESA-N 2 0 356.555 0.416 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659434315 493175998 /nfs/dbraw/zinc/17/59/98/493175998.db2.gz LCXCNWTXXIFBAL-CHWSQXEVSA-N 2 0 350.467 0.808 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC4CC3(C[NH3+])C4)cn2)CC1 ZINC000659434229 493176866 /nfs/dbraw/zinc/17/68/66/493176866.db2.gz UFABRXNTXHHEBQ-UHFFFAOYSA-N 2 0 358.490 0.856 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000641174560 493177266 /nfs/dbraw/zinc/17/72/66/493177266.db2.gz RBHHIERPGKQQBG-KRWDZBQOSA-N 2 0 371.485 0.643 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627365495 493181625 /nfs/dbraw/zinc/18/16/25/493181625.db2.gz QICMQLHVYGPKJN-RWMBFGLXSA-N 2 0 366.428 0.819 20 0 FCADRP [NH3+]Cc1cnn(Cc2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000641228846 493184772 /nfs/dbraw/zinc/18/47/72/493184772.db2.gz FDWVSUVGRFYIEG-LJQANCHMSA-N 2 0 367.457 0.619 20 0 FCADRP COCC[NH2+]CCc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229985 493185244 /nfs/dbraw/zinc/18/52/44/493185244.db2.gz NXFYTRHIIMVCBJ-LJQANCHMSA-N 2 0 359.474 0.694 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264820 493186951 /nfs/dbraw/zinc/18/69/51/493186951.db2.gz UCUDGAWHBJNROT-GJZGRUSLSA-N 2 0 355.508 0.434 20 0 FCADRP CC[C@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC[C@@H]1[NH3+] ZINC000647270482 493188479 /nfs/dbraw/zinc/18/84/79/493188479.db2.gz ZXDVMVZKYLWYQW-GJZGRUSLSA-N 2 0 357.524 0.809 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000647293004 493190678 /nfs/dbraw/zinc/19/06/78/493190678.db2.gz PEICKMLGLSIDSX-KBPBESRZSA-N 2 0 361.487 0.382 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627389801 493197076 /nfs/dbraw/zinc/19/70/76/493197076.db2.gz QNQFFYGHWVBWCD-NEPJUHHUSA-N 2 0 352.401 0.430 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627392651 493199834 /nfs/dbraw/zinc/19/98/34/493199834.db2.gz BCJYJSAJGJJKSJ-OLZOCXBDSA-N 2 0 366.428 0.820 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659507884 493202604 /nfs/dbraw/zinc/20/26/04/493202604.db2.gz LPGVCEHZRHFGFV-HOTGVXAUSA-N 2 0 363.437 0.002 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538764 493208741 /nfs/dbraw/zinc/20/87/41/493208741.db2.gz LYRZYPVIQWJVQQ-STQMWFEESA-N 2 0 351.417 0.606 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548968 493211001 /nfs/dbraw/zinc/21/10/01/493211001.db2.gz JPUHURGGTWNFJT-ROUUACIJSA-N 2 0 362.474 0.431 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659590137 493217842 /nfs/dbraw/zinc/21/78/42/493217842.db2.gz GSQYTBOMPJRLQJ-JFIYKMOQSA-N 2 0 352.454 0.883 20 0 FCADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659629936 493223692 /nfs/dbraw/zinc/22/36/92/493223692.db2.gz JHIHKUXNUZZCHI-OAHLLOKOSA-N 2 0 374.445 0.752 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639959 493224987 /nfs/dbraw/zinc/22/49/87/493224987.db2.gz PTDCSCVQAHWZDM-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000666796337 493227782 /nfs/dbraw/zinc/22/77/82/493227782.db2.gz YQWIVNNVFOWHNO-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000672693432 493233920 /nfs/dbraw/zinc/23/39/20/493233920.db2.gz WKKFGYWFOJYYFL-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000672695786 493234439 /nfs/dbraw/zinc/23/44/39/493234439.db2.gz HWZKCADPQCKZQN-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000666976980 493243947 /nfs/dbraw/zinc/24/39/47/493243947.db2.gz UBQHXFDOJUJHAV-WBVHZDCISA-N 2 0 368.522 0.726 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)[NH+](C)C)c1 ZINC000659675824 493245728 /nfs/dbraw/zinc/24/57/28/493245728.db2.gz YODGUUNLSIHDIV-INIZCTEOSA-N 2 0 362.474 0.802 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659679799 493247989 /nfs/dbraw/zinc/24/79/89/493247989.db2.gz DYXGRWPERRSIBW-OWCLPIDISA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659679611 493248251 /nfs/dbraw/zinc/24/82/51/493248251.db2.gz MARZZUGGCLKTGV-XLNGHYISSA-N 2 0 366.506 0.066 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659682081 493248932 /nfs/dbraw/zinc/24/89/32/493248932.db2.gz GSEKUBAKDKRORP-HOTGVXAUSA-N 2 0 368.522 0.627 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000672881407 493262526 /nfs/dbraw/zinc/26/25/26/493262526.db2.gz QRULKESZJFCDQF-MRXNPFEDSA-N 2 0 368.522 0.585 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659703983 493263580 /nfs/dbraw/zinc/26/35/80/493263580.db2.gz IJABBRMXWSSYPO-DOTOQJQBSA-N 2 0 362.518 0.825 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000659710001 493267045 /nfs/dbraw/zinc/26/70/45/493267045.db2.gz NWIXKCIOHIDDID-OAHLLOKOSA-N 2 0 352.479 0.134 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659712069 493267876 /nfs/dbraw/zinc/26/78/76/493267876.db2.gz CRJXEPZCPZRRPW-GOSISDBHSA-N 2 0 373.501 0.668 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718301 493270319 /nfs/dbraw/zinc/27/03/19/493270319.db2.gz OSDOGBXUAKZOCL-IAGOWNOFSA-N 2 0 350.507 0.858 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720158 493271116 /nfs/dbraw/zinc/27/11/16/493271116.db2.gz ATBIKCQPYIJKGR-QAPCUYQASA-N 2 0 373.501 0.667 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000641658789 493271350 /nfs/dbraw/zinc/27/13/50/493271350.db2.gz IRVAOEGCNKTPKN-STQMWFEESA-N 2 0 351.417 0.606 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000659725927 493273465 /nfs/dbraw/zinc/27/34/65/493273465.db2.gz AULBRWOQBSAQSJ-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CC[NH+](C)CC1 ZINC000682193436 493276909 /nfs/dbraw/zinc/27/69/09/493276909.db2.gz UKPXRJCJZMWHKG-ZDUSSCGKSA-N 2 0 350.467 0.230 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659738449 493280009 /nfs/dbraw/zinc/28/00/09/493280009.db2.gz DUMYRVYEOXLAGP-YVSFHVDLSA-N 2 0 366.506 0.332 20 0 FCADRP CSc1ccncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000682222188 493280099 /nfs/dbraw/zinc/28/00/99/493280099.db2.gz IFNGZDGRVCSAMR-UHFFFAOYSA-N 2 0 353.492 0.694 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673131254 493294083 /nfs/dbraw/zinc/29/40/83/493294083.db2.gz GMCDVAXQHHWMBG-HNNXBMFYSA-N 2 0 350.467 0.374 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795588 493302637 /nfs/dbraw/zinc/30/26/37/493302637.db2.gz HXVDDVADDAYOCO-KRWDZBQOSA-N 2 0 374.489 0.792 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000673427650 493327360 /nfs/dbraw/zinc/32/73/60/493327360.db2.gz CCLWRANVXGPKHV-IAGOWNOFSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000668302259 493329374 /nfs/dbraw/zinc/32/93/74/493329374.db2.gz CITCCBDTUUMTHO-UONOGXRCSA-N 2 0 369.428 0.922 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCSC1 ZINC000673982352 493379420 /nfs/dbraw/zinc/37/94/20/493379420.db2.gz LKKCIROKZZOBHF-ZOBUZTSGSA-N 2 0 356.536 0.664 20 0 FCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[C@@H](NC(=O)C3([NH+](C)C)CC3)C2)CC1 ZINC000668590944 493381467 /nfs/dbraw/zinc/38/14/67/493381467.db2.gz KAZRYPYNOZXVHR-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000668752697 493405521 /nfs/dbraw/zinc/40/55/21/493405521.db2.gz RYNCLOIYIMAHOB-WBVHZDCISA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000668789358 493411040 /nfs/dbraw/zinc/41/10/40/493411040.db2.gz UKZQQEPQBFQXGR-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000668827637 493416699 /nfs/dbraw/zinc/41/66/99/493416699.db2.gz KTCFNFZBEIIUHW-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684576976 493420361 /nfs/dbraw/zinc/42/03/61/493420361.db2.gz YXFCESTVXDIFDQ-MRXNPFEDSA-N 2 0 369.535 0.824 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000668992005 493447447 /nfs/dbraw/zinc/44/74/47/493447447.db2.gz JYAYWBGVCXNVRO-HNNXBMFYSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661598077 493449946 /nfs/dbraw/zinc/44/99/46/493449946.db2.gz ODGPNRUCBLKULX-DZVNLGKHSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000669027641 493453471 /nfs/dbraw/zinc/45/34/71/493453471.db2.gz QAHFDVAHMWKJLX-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)ccn2)CC1 ZINC000669156612 493469596 /nfs/dbraw/zinc/46/95/96/493469596.db2.gz HGOZLQRQXFDDCF-SJORKVTESA-N 2 0 358.490 0.727 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000661981123 493480054 /nfs/dbraw/zinc/48/00/54/493480054.db2.gz NEELOABAZYXNIM-SFHVURJKSA-N 2 0 366.506 0.746 20 0 FCADRP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000662221622 493497455 /nfs/dbraw/zinc/49/74/55/493497455.db2.gz BGZLOGJQEANVOV-WOUAJJJCSA-N 2 0 368.566 0.291 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000685519901 493501153 /nfs/dbraw/zinc/50/11/53/493501153.db2.gz KNTNEMBNDLXZGK-MRXNPFEDSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669444091 493504499 /nfs/dbraw/zinc/50/44/99/493504499.db2.gz YOIJXFYDSFVNSS-XHSDSOJGSA-N 2 0 351.495 0.323 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296818 493504905 /nfs/dbraw/zinc/50/49/05/493504905.db2.gz NMRZZZPUTHEVDG-ROUUACIJSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000669486485 493506313 /nfs/dbraw/zinc/50/63/13/493506313.db2.gz POQKIKHDUWZRCX-BRWVUGGUSA-N 2 0 353.511 0.019 20 0 FCADRP C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000669490332 493507645 /nfs/dbraw/zinc/50/76/45/493507645.db2.gz AKKDVQSHKNVHMY-ZBFHGGJFSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662350475 493508358 /nfs/dbraw/zinc/50/83/58/493508358.db2.gz BVXWUJZTSYKKGM-OAHLLOKOSA-N 2 0 350.467 0.289 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000669509396 493508513 /nfs/dbraw/zinc/50/85/13/493508513.db2.gz YKOLCZDZQVTHMR-KRWDZBQOSA-N 2 0 356.470 0.153 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000669529831 493508863 /nfs/dbraw/zinc/50/88/63/493508863.db2.gz FSKVQKVBSXPUPX-UONOGXRCSA-N 2 0 365.444 0.996 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669585435 493512499 /nfs/dbraw/zinc/51/24/99/493512499.db2.gz ILTYYJRSIGQFCU-SJORKVTESA-N 2 0 365.522 0.714 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662404773 493513694 /nfs/dbraw/zinc/51/36/94/493513694.db2.gz JJWVVSOJLUUUGH-IAGOWNOFSA-N 2 0 358.486 0.992 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662446238 493515825 /nfs/dbraw/zinc/51/58/25/493515825.db2.gz ZHTCGADSLLYIQY-CQSZACIVSA-N 2 0 362.478 0.113 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000662480317 493519300 /nfs/dbraw/zinc/51/93/00/493519300.db2.gz QPNCCGSFCOLYAO-MRXNPFEDSA-N 2 0 363.510 0.204 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662484042 493519973 /nfs/dbraw/zinc/51/99/73/493519973.db2.gz DYGLONYJBVNNFD-UHFFFAOYSA-N 2 0 373.461 0.115 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676166729 493528408 /nfs/dbraw/zinc/52/84/08/493528408.db2.gz DKLNSNRPTWCNPB-ROUUACIJSA-N 2 0 368.522 0.774 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000662752798 493537882 /nfs/dbraw/zinc/53/78/82/493537882.db2.gz KSZMKFUDFGGNCQ-CQSZACIVSA-N 2 0 356.430 0.564 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757713 493539367 /nfs/dbraw/zinc/53/93/67/493539367.db2.gz LRHNOMNDGGXYLU-JKSUJKDBSA-N 2 0 363.510 0.349 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757735 493539448 /nfs/dbraw/zinc/53/94/48/493539448.db2.gz LZPQDPYRTXQDCY-MOPGFXCFSA-N 2 0 360.502 0.804 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)cn2)CC1 ZINC000662755989 493539614 /nfs/dbraw/zinc/53/96/14/493539614.db2.gz GFQYWAFVLVZLCF-INIZCTEOSA-N 2 0 371.407 0.992 20 0 FCADRP Cc1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662758406 493540004 /nfs/dbraw/zinc/54/00/04/493540004.db2.gz RPMWLRCXIGHYAW-AWEZNQCLSA-N 2 0 370.461 0.520 20 0 FCADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000676308470 493544509 /nfs/dbraw/zinc/54/45/09/493544509.db2.gz XDPHRZILQARDTM-DLBZAZTESA-N 2 0 357.543 0.621 20 0 FCADRP [NH3+]C1(CNC(=O)c2ccn3nnnc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000662817961 493544872 /nfs/dbraw/zinc/54/48/72/493544872.db2.gz YKGWGRLQTFBOAU-UHFFFAOYSA-N 2 0 365.441 0.848 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662857365 493547213 /nfs/dbraw/zinc/54/72/13/493547213.db2.gz AMNHZTOBGLQKMG-DLBZAZTESA-N 2 0 369.469 0.983 20 0 FCADRP CC[N@@H+]1CCC[C@H](CN(C)C(=O)[C@@H]2C[NH2+]CCOC2)[C@H]1c1cnn(C)c1 ZINC000662863522 493548062 /nfs/dbraw/zinc/54/80/62/493548062.db2.gz HMIRUJTUUNPRRF-NXHRZFHOSA-N 2 0 363.506 0.888 20 0 FCADRP CN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901687 493550156 /nfs/dbraw/zinc/55/01/56/493550156.db2.gz YIHNCLWPEOVFBL-AWEZNQCLSA-N 2 0 351.520 0.885 20 0 FCADRP Cn1nc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc21 ZINC000676418824 493550705 /nfs/dbraw/zinc/55/07/05/493550705.db2.gz PHEIWAZHJDLWHC-HNNXBMFYSA-N 2 0 357.458 0.596 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927813 493554785 /nfs/dbraw/zinc/55/47/85/493554785.db2.gz GCMAPWWUPNGQQA-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927814 493555138 /nfs/dbraw/zinc/55/51/38/493555138.db2.gz GCMAPWWUPNGQQA-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)[C@H]2C1 ZINC000662944041 493558407 /nfs/dbraw/zinc/55/84/07/493558407.db2.gz HSOWQYLLYJUAOY-SQNIBIBYSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946843 493559256 /nfs/dbraw/zinc/55/92/56/493559256.db2.gz DEENMCNPEMHWPG-RBUKOAKNSA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1=O ZINC000670391019 493560752 /nfs/dbraw/zinc/56/07/52/493560752.db2.gz UVBWBUKEBCEIBA-IRXDYDNUSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662957917 493561016 /nfs/dbraw/zinc/56/10/16/493561016.db2.gz OYLXCGRIPDLWIF-NZSAHSFTSA-N 2 0 372.513 0.958 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000662966012 493562040 /nfs/dbraw/zinc/56/20/40/493562040.db2.gz DZOGDXGSYPOKMY-GOSISDBHSA-N 2 0 358.486 0.712 20 0 FCADRP CS(=O)(=O)C1(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[NH2+]CC1 ZINC000662971025 493562582 /nfs/dbraw/zinc/56/25/82/493562582.db2.gz ATGHNVIIQGYVDQ-UHFFFAOYSA-N 2 0 357.520 0.391 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000662982738 493564114 /nfs/dbraw/zinc/56/41/14/493564114.db2.gz FGVJVMVLTCWXGA-CVEARBPZSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000662984439 493564129 /nfs/dbraw/zinc/56/41/29/493564129.db2.gz RHKPULKWWDJEDY-OIISXLGYSA-N 2 0 350.507 0.763 20 0 FCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)co1 ZINC000663016566 493566623 /nfs/dbraw/zinc/56/66/23/493566623.db2.gz CQBFZLGVXNBUSU-ZDUSSCGKSA-N 2 0 358.446 0.891 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000676698129 493567763 /nfs/dbraw/zinc/56/77/63/493567763.db2.gz MQHILNPEYIHPHX-PKOBYXMFSA-N 2 0 364.534 0.916 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670545296 493579151 /nfs/dbraw/zinc/57/91/51/493579151.db2.gz ITJRGESBUORQCE-UHFFFAOYSA-N 2 0 359.474 0.719 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000670545191 493579436 /nfs/dbraw/zinc/57/94/36/493579436.db2.gz VONBKNCNBGZHMP-UHFFFAOYSA-N 2 0 368.522 0.281 20 0 FCADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670628481 493581247 /nfs/dbraw/zinc/58/12/47/493581247.db2.gz FQZAGLXMBIVSNZ-RTBURBONSA-N 2 0 370.497 0.978 20 0 FCADRP c1nc2nc(=N[C@@H]3CC[NH+](C4CC4)C3)cc(N[C@@H]3CC[N@@H+](C4CC4)C3)n2[nH]1 ZINC000663425502 493588436 /nfs/dbraw/zinc/58/84/36/493588436.db2.gz RCSQGAKTBDACFN-ZIAGYGMSSA-N 2 0 368.489 0.843 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670708825 493589633 /nfs/dbraw/zinc/58/96/33/493589633.db2.gz DYFUGWPRGHMEHM-UHFFFAOYSA-N 2 0 359.474 0.722 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663615534 493604323 /nfs/dbraw/zinc/60/43/23/493604323.db2.gz KPLXHBUHKCSSKA-FQEVSTJZSA-N 2 0 373.501 0.631 20 0 FCADRP O=C1CCCN1[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000677738083 493614580 /nfs/dbraw/zinc/61/45/80/493614580.db2.gz BOPJTSRWCKDXRB-ZHEVZCJESA-N 2 0 360.502 0.936 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104482 493634932 /nfs/dbraw/zinc/63/49/32/493634932.db2.gz JBMYGUXHPAQKTM-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671105113 493634970 /nfs/dbraw/zinc/63/49/70/493634970.db2.gz HVGXZIQBWCDPPK-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000671376399 493662191 /nfs/dbraw/zinc/66/21/91/493662191.db2.gz ULILFVWGWRBUIO-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000664538916 493666417 /nfs/dbraw/zinc/66/64/17/493666417.db2.gz JLIMADQQHKESQP-SFHVURJKSA-N 2 0 367.538 0.565 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000664757654 493681636 /nfs/dbraw/zinc/68/16/36/493681636.db2.gz CEQFUPLVAHUGGX-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000671815762 493707120 /nfs/dbraw/zinc/70/71/20/493707120.db2.gz CNCOMQUOJDYTAX-RDJZCZTQSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671815763 493707154 /nfs/dbraw/zinc/70/71/54/493707154.db2.gz CNCOMQUOJDYTAX-WBVHZDCISA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000672010708 493724180 /nfs/dbraw/zinc/72/41/80/493724180.db2.gz OQYNHKVJDJZZPI-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672011000 493724630 /nfs/dbraw/zinc/72/46/30/493724630.db2.gz PVMAPNYRWLTFDC-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672204274 493742281 /nfs/dbraw/zinc/74/22/81/493742281.db2.gz SBOFJEQMTBSHNP-KRWDZBQOSA-N 2 0 359.474 0.721 20 0 FCADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000665887250 493742734 /nfs/dbraw/zinc/74/27/34/493742734.db2.gz HRHJKNJICZDCAN-UYAOXDASSA-N 2 0 361.486 0.586 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672308853 493753698 /nfs/dbraw/zinc/75/36/98/493753698.db2.gz AETHCCSBJNJCOA-INIZCTEOSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310827 493755117 /nfs/dbraw/zinc/75/51/17/493755117.db2.gz JHBSPPNHJGRYAP-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666151176 493760514 /nfs/dbraw/zinc/76/05/14/493760514.db2.gz FHCRIDGCVSXRCG-IBGZPJMESA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410474958 534018974 /nfs/dbraw/zinc/01/89/74/534018974.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000247179580 534076644 /nfs/dbraw/zinc/07/66/44/534076644.db2.gz BHJVLWLNBCEWLJ-RDJZCZTQSA-N 2 0 363.506 0.940 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419455606 536497964 /nfs/dbraw/zinc/49/79/64/536497964.db2.gz XLFWBKYOHYIDJI-DLBZAZTESA-N 2 0 362.474 0.024 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000410430693 527730641 /nfs/dbraw/zinc/73/06/41/527730641.db2.gz FXJRPSDZYUOQRA-KRWDZBQOSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000410779956 527802044 /nfs/dbraw/zinc/80/20/44/527802044.db2.gz NSHWABPZYDJZDD-ULQDDVLXSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000162834290 527938871 /nfs/dbraw/zinc/93/88/71/527938871.db2.gz SMUBRPDKZSMZRV-UHFFFAOYSA-N 2 0 352.483 0.429 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000410477377 528147516 /nfs/dbraw/zinc/14/75/16/528147516.db2.gz TUZWCDXKQBNHIL-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000410166802 528562751 /nfs/dbraw/zinc/56/27/51/528562751.db2.gz ISSAMZMEIBVMBU-HNNXBMFYSA-N 2 0 356.511 0.402 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413297335 529272813 /nfs/dbraw/zinc/27/28/13/529272813.db2.gz RBKFCWUYNHPKDS-HZPDHXFCSA-N 2 0 354.495 0.997 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165213 535068771 /nfs/dbraw/zinc/06/87/71/535068771.db2.gz FZKKCNJBXLSCCH-QZTJIDSGSA-N 2 0 360.502 0.767 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419705452 535070991 /nfs/dbraw/zinc/07/09/91/535070991.db2.gz ZPLCBLCKADAGOE-HZMVEIRTSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419696787 535074073 /nfs/dbraw/zinc/07/40/73/535074073.db2.gz NFQVOSMQDBBMSU-BBWFWOEESA-N 2 0 350.507 0.966 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[NH2+]C1 ZINC000423665800 535188577 /nfs/dbraw/zinc/18/85/77/535188577.db2.gz RDGDLTTZSNCSFJ-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH2+]CC1 ZINC000419577465 535191260 /nfs/dbraw/zinc/19/12/60/535191260.db2.gz DIULAJZSXYEMHX-KRWDZBQOSA-N 2 0 356.536 0.531 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2)CC1 ZINC000415284200 535205077 /nfs/dbraw/zinc/20/50/77/535205077.db2.gz OUKKKYYHFVBZAB-UHFFFAOYSA-N 2 0 359.474 0.587 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419282718 535218857 /nfs/dbraw/zinc/21/88/57/535218857.db2.gz IOSHZBXLEJKFIM-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419947321 535305006 /nfs/dbraw/zinc/30/50/06/535305006.db2.gz CHODEGNPHGXNKN-MRXNPFEDSA-N 2 0 368.522 0.579 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419587878 535501252 /nfs/dbraw/zinc/50/12/52/535501252.db2.gz NWUGHCMWPULJHW-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419577968 535502606 /nfs/dbraw/zinc/50/26/06/535502606.db2.gz DLMBMYUJZHBJHT-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423658826 535542355 /nfs/dbraw/zinc/54/23/55/535542355.db2.gz YCEGMNLAVKKMIH-JKSUJKDBSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423524381 535542691 /nfs/dbraw/zinc/54/26/91/535542691.db2.gz OKWUVCHIERHBGH-UHFFFAOYSA-N 2 0 370.538 0.779 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423519886 535543132 /nfs/dbraw/zinc/54/31/32/535543132.db2.gz JOVHJLGLGXLRPV-HOTGVXAUSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000423449817 535549042 /nfs/dbraw/zinc/54/90/42/535549042.db2.gz SFEDHYMFXMZUOR-XHSDSOJGSA-N 2 0 354.495 0.155 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375237 535739392 /nfs/dbraw/zinc/73/93/92/535739392.db2.gz WEHCFNAXOYDTLJ-PASDCYSWSA-N 2 0 352.523 0.661 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC([NH3+])CC3)c2)CC1 ZINC000415262275 535750055 /nfs/dbraw/zinc/75/00/55/535750055.db2.gz FWFHMILRCFSLKP-UHFFFAOYSA-N 2 0 359.474 0.717 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423486956 535771280 /nfs/dbraw/zinc/77/12/80/535771280.db2.gz WXFYWGPCSACCTH-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419840680 535946556 /nfs/dbraw/zinc/94/65/56/535946556.db2.gz JAMZIQKUFSBLMH-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423568257 535961559 /nfs/dbraw/zinc/96/15/59/535961559.db2.gz RQZBLVZQXGVXSQ-XOKHGSTOSA-N 2 0 362.449 0.489 20 0 FCADRP CN(C)c1ncc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)n1C ZINC000425340391 536161147 /nfs/dbraw/zinc/16/11/47/536161147.db2.gz AMKPZIXYSQEMCQ-UHFFFAOYSA-N 2 0 350.511 0.372 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419176164 536368127 /nfs/dbraw/zinc/36/81/27/536368127.db2.gz YWBNVPCACRJQFU-QZTJIDSGSA-N 2 0 358.486 0.488 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000419823129 536417282 /nfs/dbraw/zinc/41/72/82/536417282.db2.gz PTSSFDDLEQLXOM-WMZOPIPTSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146531 536450058 /nfs/dbraw/zinc/45/00/58/536450058.db2.gz BGDMZUNESXOAIY-AEFFLSMTSA-N 2 0 360.502 0.639 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000452977035 536466175 /nfs/dbraw/zinc/46/61/75/536466175.db2.gz PWJSUKDXGJCYOX-MJJLTSLDSA-N 2 0 374.529 0.728 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000419745404 536746538 /nfs/dbraw/zinc/74/65/38/536746538.db2.gz ACJASLYWYKBLPM-UONOGXRCSA-N 2 0 354.495 0.188 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419894816 536775849 /nfs/dbraw/zinc/77/58/49/536775849.db2.gz RIKYGUZMAWIIRA-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423603799 536776005 /nfs/dbraw/zinc/77/60/05/536776005.db2.gz FGDCKBKGYGNURD-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP COC(=O)c1cn(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097070 536825937 /nfs/dbraw/zinc/82/59/37/536825937.db2.gz AEVFUAYGVUFGFS-KSSFIOAISA-N 2 0 357.414 0.910 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000080064533 546568795 /nfs/dbraw/zinc/56/87/95/546568795.db2.gz ZLCHZLKXIVPMTM-HOTGVXAUSA-N 2 0 356.511 0.896 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000080066194 546569013 /nfs/dbraw/zinc/56/90/13/546569013.db2.gz QZSHQRNICMXEQT-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736269 546747798 /nfs/dbraw/zinc/74/77/98/546747798.db2.gz KWUFSMJDZJFEBM-SQWLQELKSA-N 2 0 352.479 0.973 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+](C)C1 ZINC000594283154 546778881 /nfs/dbraw/zinc/77/88/81/546778881.db2.gz CSKPOZJXSUKJJE-OWCLPIDISA-N 2 0 352.479 0.750 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420159056 546909672 /nfs/dbraw/zinc/90/96/72/546909672.db2.gz HPSBREKJGXYKQO-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CO)N1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433370184 546921782 /nfs/dbraw/zinc/92/17/82/546921782.db2.gz DCQFEMYEYKBETQ-OAHLLOKOSA-N 2 0 355.504 0.825 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715686 546928214 /nfs/dbraw/zinc/92/82/14/546928214.db2.gz JXMPXUTUCIJIRF-DLBZAZTESA-N 2 0 356.511 0.633 20 0 FCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550665740 547096572 /nfs/dbraw/zinc/09/65/72/547096572.db2.gz NJPWSYKAUCQIRR-MRXNPFEDSA-N 2 0 353.488 0.758 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCCC1 ZINC000550737505 547099942 /nfs/dbraw/zinc/09/99/42/547099942.db2.gz UHVDWAZHEDMPHQ-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(F)cc(F)c1 ZINC000550797777 547106669 /nfs/dbraw/zinc/10/66/69/547106669.db2.gz KYJJKEKVZWHWRN-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839282 547111350 /nfs/dbraw/zinc/11/13/50/547111350.db2.gz XFRWVAXCZVULBA-CRAIPNDOSA-N 2 0 368.547 0.627 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550907870 547114240 /nfs/dbraw/zinc/11/42/40/547114240.db2.gz DQCQHUIYLMMSIA-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550904531 547115403 /nfs/dbraw/zinc/11/54/03/547115403.db2.gz YRBIZWZSMWEPJU-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551075451 547124361 /nfs/dbraw/zinc/12/43/61/547124361.db2.gz YISLDLCOFALUPC-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210595 547134186 /nfs/dbraw/zinc/13/41/86/547134186.db2.gz GYDQNDFXIFLMAA-SUMWQHHRSA-N 2 0 358.552 0.632 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551213175 547134476 /nfs/dbraw/zinc/13/44/76/547134476.db2.gz IYERLSGOPCJCOM-RKVPGOIHSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)C1CCS(=O)(=O)CC1 ZINC000552064706 547185671 /nfs/dbraw/zinc/18/56/71/547185671.db2.gz JMZFHLKFNHXXJH-HNNXBMFYSA-N 2 0 359.536 0.782 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000552191511 547194159 /nfs/dbraw/zinc/19/41/59/547194159.db2.gz JARPNTMILLVHFP-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000552191115 547194658 /nfs/dbraw/zinc/19/46/58/547194658.db2.gz SZKUIYRJMMNOEA-CABCVRRESA-N 2 0 354.495 0.155 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000552359174 547203993 /nfs/dbraw/zinc/20/39/93/547203993.db2.gz OIBXIOOWISOTPR-ARFHVFGLSA-N 2 0 350.507 0.964 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000552623802 547219854 /nfs/dbraw/zinc/21/98/54/547219854.db2.gz GTPRGLCRNGAWFF-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(C)CCN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000552686267 547223220 /nfs/dbraw/zinc/22/32/20/547223220.db2.gz GNEOHJGTYCFHTN-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000552769435 547231537 /nfs/dbraw/zinc/23/15/37/547231537.db2.gz DZUFHBFHVPPPLR-XGHPGWEVSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000553271143 547264948 /nfs/dbraw/zinc/26/49/48/547264948.db2.gz GLJSITBJQFMMCT-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000553734868 547303645 /nfs/dbraw/zinc/30/36/45/547303645.db2.gz OKZONZAFDLTILR-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949020863 674392258 /nfs/dbraw/zinc/39/22/58/674392258.db2.gz LGJMQFBYWBMXFJ-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950247765 674423222 /nfs/dbraw/zinc/42/32/22/674423222.db2.gz FPOMZOWBJIRZCX-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000950248201 674423232 /nfs/dbraw/zinc/42/32/32/674423232.db2.gz QIRUVEGJRFFGTI-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736761621 598475602 /nfs/dbraw/zinc/47/56/02/598475602.db2.gz JIUGLAQDEFBDLD-UHFFFAOYSA-N 2 0 360.466 0.607 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[NH+](C)C ZINC000950715998 674434245 /nfs/dbraw/zinc/43/42/45/674434245.db2.gz GAPZDNNBORMGRX-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025529 598522604 /nfs/dbraw/zinc/52/26/04/598522604.db2.gz LQDOBVNCZGEIMM-UONOGXRCSA-N 2 0 359.482 0.817 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950827917 674440191 /nfs/dbraw/zinc/44/01/91/674440191.db2.gz PJOJHUXMGVHYEC-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000820131382 606741726 /nfs/dbraw/zinc/74/17/26/606741726.db2.gz CAKZNFFXFLVUKC-UHFFFAOYSA-N 2 0 370.461 0.839 20 0 FCADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821626948 606854725 /nfs/dbraw/zinc/85/47/25/606854725.db2.gz GWTBIJVYDBUHJQ-KRWDZBQOSA-N 2 0 359.478 0.517 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000958169059 674560103 /nfs/dbraw/zinc/56/01/03/674560103.db2.gz CEQNJRODUZTFCW-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)(N2CCOCC2)CC1 ZINC000897970449 665783628 /nfs/dbraw/zinc/78/36/28/665783628.db2.gz MIZGXDKVSGQVFH-MRXNPFEDSA-N 2 0 352.523 0.772 20 0 FCADRP COCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686624 663188380 /nfs/dbraw/zinc/18/83/80/663188380.db2.gz ICMGESJSETZHGZ-OLMNPRSZSA-N 2 0 353.507 0.816 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)[NH+](C)C ZINC001021707215 663349156 /nfs/dbraw/zinc/34/91/56/663349156.db2.gz HOJKWMNLLTXNCS-LZLYRXPVSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000891339476 663352036 /nfs/dbraw/zinc/35/20/36/663352036.db2.gz BXQFKMFNFDTCJP-UHFFFAOYSA-N 2 0 366.535 0.696 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001022109309 663405791 /nfs/dbraw/zinc/40/57/91/663405791.db2.gz KWMCJSKQDGENEL-UHDSXZAQSA-N 2 0 350.507 0.870 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538132 663413071 /nfs/dbraw/zinc/41/30/71/663413071.db2.gz QFYDIBRNTZVVEQ-JKSUJKDBSA-N 2 0 354.495 0.555 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891633349 663420589 /nfs/dbraw/zinc/42/05/89/663420589.db2.gz YLBSVVVCQCGBCN-KFWWJZLASA-N 2 0 353.467 0.295 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000891653806 663423229 /nfs/dbraw/zinc/42/32/29/663423229.db2.gz HBGPBXCUHNEEPK-ZFWWWQNUSA-N 2 0 353.511 0.744 20 0 FCADRP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000891700266 663429514 /nfs/dbraw/zinc/42/95/14/663429514.db2.gz XZCKPJBIGRWYHH-HOTGVXAUSA-N 2 0 374.551 0.300 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCCOCC[NH+](C)C)cc1 ZINC000891843662 663442114 /nfs/dbraw/zinc/44/21/14/663442114.db2.gz FMLMIVSMOGTXNA-KRWDZBQOSA-N 2 0 350.463 0.929 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847016 663444513 /nfs/dbraw/zinc/44/45/13/663444513.db2.gz DKZRAYYJZKPBSD-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891966725 663458633 /nfs/dbraw/zinc/45/86/33/663458633.db2.gz VEKKBQYVSFTKAE-QGZVFWFLSA-N 2 0 353.511 0.224 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000892001050 663465625 /nfs/dbraw/zinc/46/56/25/663465625.db2.gz UFAMAXXGLHIEHG-HNNXBMFYSA-N 2 0 351.495 0.501 20 0 FCADRP [NH3+]CC1(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000892107027 663476933 /nfs/dbraw/zinc/47/69/33/663476933.db2.gz GOZZHTWILDWONA-LBPRGKRZSA-N 2 0 351.417 0.783 20 0 FCADRP COCC1(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC000892111882 663477733 /nfs/dbraw/zinc/47/77/33/663477733.db2.gz FLHKNVHFNMRYNB-OAHLLOKOSA-N 2 0 354.495 0.461 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001023377774 663620266 /nfs/dbraw/zinc/62/02/66/663620266.db2.gz WDEGEPRKVOUYFB-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccnc(N3CCSCC3)c2)CCO1 ZINC000892514156 663996865 /nfs/dbraw/zinc/99/68/65/663996865.db2.gz XDHIMGXFQUMONT-HIFRSBDPSA-N 2 0 365.503 0.892 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC000973332658 664099801 /nfs/dbraw/zinc/09/98/01/664099801.db2.gz VCILQDLCFVHGAB-FFWIBEFTSA-N 2 0 350.507 0.820 20 0 FCADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892751223 664136375 /nfs/dbraw/zinc/13/63/75/664136375.db2.gz MYPGSHHXBMYVLX-HOCLYGCPSA-N 2 0 352.504 0.746 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000892753497 664137211 /nfs/dbraw/zinc/13/72/11/664137211.db2.gz KJPSVWHFHSFIBS-LBPRGKRZSA-N 2 0 365.503 0.828 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)[N@H+]1CCO ZINC000892758512 664137730 /nfs/dbraw/zinc/13/77/30/664137730.db2.gz JWYHVJPVMFMNRY-OWCLPIDISA-N 2 0 354.495 0.242 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCCC[N@H+]1CCO ZINC000892761393 664137740 /nfs/dbraw/zinc/13/77/40/664137740.db2.gz ZWDVSLBUQOQPBP-JKSUJKDBSA-N 2 0 354.495 0.291 20 0 FCADRP CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000893054034 664202178 /nfs/dbraw/zinc/20/21/78/664202178.db2.gz UDINOCFLGIBANA-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3nncn3C)CC2)O1 ZINC001026514536 664239504 /nfs/dbraw/zinc/23/95/04/664239504.db2.gz ITWVSAKFTUTCEW-XSCHDIRWSA-N 2 0 350.467 0.051 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC000975238574 664309819 /nfs/dbraw/zinc/30/98/19/664309819.db2.gz QHUFKIOWOSDLLQ-TWMKSMIVSA-N 2 0 352.523 0.972 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000978881809 664448225 /nfs/dbraw/zinc/44/82/25/664448225.db2.gz UFYFEAINXIZOGQ-UHDSXZAQSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000979781904 664462949 /nfs/dbraw/zinc/46/29/49/664462949.db2.gz BYOACLHXZMDBOH-QUSNUVHPSA-N 2 0 350.507 0.679 20 0 FCADRP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628108 664930461 /nfs/dbraw/zinc/93/04/61/664930461.db2.gz OBTATJYOZGSMQR-CKEIUWERSA-N 2 0 350.463 0.894 20 0 FCADRP Cn1ncc(I)c1CNCC1(O)CC[NH+](C)CC1 ZINC000894292110 664949397 /nfs/dbraw/zinc/94/93/97/664949397.db2.gz CAHLZHLZXNHMHH-UHFFFAOYSA-N 2 0 364.231 0.571 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000983704739 664985008 /nfs/dbraw/zinc/98/50/08/664985008.db2.gz MRFWPQRNKLQEOT-KBUPBQIOSA-N 2 0 352.458 0.572 20 0 FCADRP C[NH+](C)C1(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCCCCC1 ZINC000262337345 665115093 /nfs/dbraw/zinc/11/50/93/665115093.db2.gz HKMIPMPNIFIDSC-UHFFFAOYSA-N 2 0 359.536 0.924 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC000988783691 665314724 /nfs/dbraw/zinc/31/47/24/665314724.db2.gz WTNZMDYNNXXAII-UXLLHSPISA-N 2 0 350.507 0.918 20 0 FCADRP Cn1cnc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Cl ZINC000322059150 665335330 /nfs/dbraw/zinc/33/53/30/665335330.db2.gz CFEUGVFSPCOFGM-UHFFFAOYSA-N 2 0 365.931 0.968 20 0 FCADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000906412088 666052925 /nfs/dbraw/zinc/05/29/25/666052925.db2.gz RTZBCDFYKAGOFZ-JFIYKMOQSA-N 2 0 352.523 0.580 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000907453081 666133133 /nfs/dbraw/zinc/13/31/33/666133133.db2.gz UBPOUBKDWSNBMC-SFHVURJKSA-N 2 0 353.555 0.545 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198646 666193531 /nfs/dbraw/zinc/19/35/31/666193531.db2.gz AXQJSVGOHNAGPU-QZTJIDSGSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911161570 666318457 /nfs/dbraw/zinc/31/84/57/666318457.db2.gz LXWLXZDAFYEEPC-LUKYLMHMSA-N 2 0 350.507 0.539 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000913179129 666510278 /nfs/dbraw/zinc/51/02/78/666510278.db2.gz FCSWFWHRNGRTLD-SFNKJDCFSA-N 2 0 353.507 0.933 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000940286974 666545362 /nfs/dbraw/zinc/54/53/62/666545362.db2.gz BWLFMSZAEQIHLR-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000992401868 666636320 /nfs/dbraw/zinc/63/63/20/666636320.db2.gz VGNLRALAEDBXKG-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419407281 674761084 /nfs/dbraw/zinc/76/10/84/674761084.db2.gz KAGMVVCGPXEZJD-MDZRGWNJSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419407280 674761167 /nfs/dbraw/zinc/76/11/67/674761167.db2.gz KAGMVVCGPXEZJD-JTDSTZFVSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)[NH+](C)C ZINC000942548328 666735854 /nfs/dbraw/zinc/73/58/54/666735854.db2.gz SZTFCTQIDKXVSW-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000943705963 666783930 /nfs/dbraw/zinc/78/39/30/666783930.db2.gz UNFMQKDGRIZYJG-WRQOLXDDSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000945381492 666878804 /nfs/dbraw/zinc/87/88/04/666878804.db2.gz KCYGOMJAFYEAQE-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000993839382 666943086 /nfs/dbraw/zinc/94/30/86/666943086.db2.gz ILQGOCTUJYOVPL-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000996603449 666944957 /nfs/dbraw/zinc/94/49/57/666944957.db2.gz MXERFPRBAJLILK-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996610088 666947884 /nfs/dbraw/zinc/94/78/84/666947884.db2.gz YCZCCQNAKBCDEQ-BFYDXBDKSA-N 2 0 371.547 0.732 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000993959312 666951099 /nfs/dbraw/zinc/95/10/99/666951099.db2.gz OHGNLLGYXBNNNO-HYVNUMGLSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)[NH+](C)C ZINC000994217583 666979307 /nfs/dbraw/zinc/97/93/07/666979307.db2.gz OWYHBHJHVZLWPT-DJIMGWMZSA-N 2 0 352.523 0.879 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000998795310 667221592 /nfs/dbraw/zinc/22/15/92/667221592.db2.gz XAGFLRJMXXKSHP-SJJHQCBESA-N 2 0 350.507 0.918 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000920312153 667235950 /nfs/dbraw/zinc/23/59/50/667235950.db2.gz WIVHSQJMNNDVFX-UHFFFAOYSA-N 2 0 353.580 0.915 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000920995995 667262487 /nfs/dbraw/zinc/26/24/87/667262487.db2.gz SBRLZKJSNYFNCS-UHFFFAOYSA-N 2 0 371.595 0.839 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001031685878 667268745 /nfs/dbraw/zinc/26/87/45/667268745.db2.gz GMGFPMXXPFJYAS-BHYGNILZSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001002260299 667528874 /nfs/dbraw/zinc/52/88/74/667528874.db2.gz OFPXBOLIXZUZMR-BHYGNILZSA-N 2 0 350.507 0.633 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002483518 667544354 /nfs/dbraw/zinc/54/43/54/667544354.db2.gz DNZHTOHBPFLDGD-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595101 667676091 /nfs/dbraw/zinc/67/60/91/667676091.db2.gz INPQZLKTMRNWID-OVYGPGRDSA-N 2 0 350.507 0.632 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001005406491 667740187 /nfs/dbraw/zinc/74/01/87/667740187.db2.gz CNQRAJREWIEQOW-RHSMWYFYSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)CC1 ZINC001034209095 667749446 /nfs/dbraw/zinc/74/94/46/667749446.db2.gz GUKWFLXPDNGHOF-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)CC1 ZINC001034648423 667762030 /nfs/dbraw/zinc/76/20/30/667762030.db2.gz HFWYZFSOJVHVDL-TVFCKZIOSA-N 2 0 353.507 0.743 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000923345779 667827323 /nfs/dbraw/zinc/82/73/23/667827323.db2.gz NADDQTMGLWJRHC-HUUCEWRRSA-N 2 0 353.438 0.885 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380562 667829293 /nfs/dbraw/zinc/82/92/93/667829293.db2.gz OXMHDHFMLIEOAJ-BRWVUGGUSA-N 2 0 354.495 0.240 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923490967 667840784 /nfs/dbraw/zinc/84/07/84/667840784.db2.gz GMDWZAJRISVQSU-CYBMUJFWSA-N 2 0 354.476 0.546 20 0 FCADRP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923489599 667840809 /nfs/dbraw/zinc/84/08/09/667840809.db2.gz PRXWZYYVGWBXOJ-AWEZNQCLSA-N 2 0 352.504 0.884 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760497549 667851933 /nfs/dbraw/zinc/85/19/33/667851933.db2.gz UGUYSECBGIFYNY-MRXNPFEDSA-N 2 0 367.563 0.441 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000103210817 667956335 /nfs/dbraw/zinc/95/63/35/667956335.db2.gz NOVONOBYSXDPBV-UHFFFAOYSA-N 2 0 362.396 0.819 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000764504207 667985475 /nfs/dbraw/zinc/98/54/75/667985475.db2.gz PSNGOCZQBYGYNH-HNNXBMFYSA-N 2 0 353.536 0.194 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000774788107 668173939 /nfs/dbraw/zinc/17/39/39/668173939.db2.gz HNZBUJYCGXXKEE-CVEARBPZSA-N 2 0 354.495 0.201 20 0 FCADRP C[C@@H]1CCC[NH+]1CCNC(=O)CSCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783918205 668636853 /nfs/dbraw/zinc/63/68/53/668636853.db2.gz PZGQDYDPVQABSD-HZPDHXFCSA-N 2 0 370.563 0.921 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000787378637 668795562 /nfs/dbraw/zinc/79/55/62/668795562.db2.gz ZGTFRDRIXFPTRB-QGZVFWFLSA-N 2 0 350.507 0.384 20 0 FCADRP Cc1nc(Cl)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000789762406 668864343 /nfs/dbraw/zinc/86/43/43/668864343.db2.gz WWKXTNZFJBDXDV-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000822962055 669309723 /nfs/dbraw/zinc/30/97/23/669309723.db2.gz PULYRBZCVKDZIE-HZPDHXFCSA-N 2 0 354.495 0.602 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064832 669361004 /nfs/dbraw/zinc/36/10/04/669361004.db2.gz YVCNIWXTPVGSIR-ZNMIVQPWSA-N 2 0 354.495 0.058 20 0 FCADRP COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC1 ZINC000809815418 669640857 /nfs/dbraw/zinc/64/08/57/669640857.db2.gz WQEPUSIFDRIKKL-UHFFFAOYSA-N 2 0 363.524 0.475 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1c[nH]nc1Cl ZINC000829647042 669715343 /nfs/dbraw/zinc/71/53/43/669715343.db2.gz YQCXQIBGKPCPBZ-UHFFFAOYSA-N 2 0 351.904 0.957 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)NC(=O)N[C@H]1C ZINC000818340513 670097715 /nfs/dbraw/zinc/09/77/15/670097715.db2.gz OMMNWSINEIUVBA-OLZOCXBDSA-N 2 0 350.463 0.969 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000842201795 670648283 /nfs/dbraw/zinc/64/82/83/670648283.db2.gz CKBHWQCPNLTYQJ-GPANFISMSA-N 2 0 352.479 0.086 20 0 FCADRP C[NH+](C)CCCNS(=O)(=O)c1cccc(-c2noc(CC[NH3+])n2)c1 ZINC000843202776 670779781 /nfs/dbraw/zinc/77/97/81/670779781.db2.gz MVPCJUZGFDVQAR-UHFFFAOYSA-N 2 0 353.448 0.468 20 0 FCADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843349274 670803603 /nfs/dbraw/zinc/80/36/03/670803603.db2.gz QJXMSMGWQFWGMK-ZDUSSCGKSA-N 2 0 351.451 0.204 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000844162622 670902457 /nfs/dbraw/zinc/90/24/57/670902457.db2.gz BHDWVEAXZMTPSU-QGZVFWFLSA-N 2 0 350.507 0.923 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646257 671134453 /nfs/dbraw/zinc/13/44/53/671134453.db2.gz BFLXJZGQPNJDGP-CABCVRRESA-N 2 0 352.479 0.461 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000849102048 671317962 /nfs/dbraw/zinc/31/79/62/671317962.db2.gz OXBWXJMRIKAVLL-UHFFFAOYSA-N 2 0 355.527 0.712 20 0 FCADRP CON(C)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000853570298 671550828 /nfs/dbraw/zinc/55/08/28/671550828.db2.gz CPVYIHUIYIAGLR-UHFFFAOYSA-N 2 0 350.467 0.386 20 0 FCADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000859243326 671803567 /nfs/dbraw/zinc/80/35/67/671803567.db2.gz ASSDYGVOMJOWRH-QZTJIDSGSA-N 2 0 374.598 0.861 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000861539805 671970228 /nfs/dbraw/zinc/97/02/28/671970228.db2.gz IAPHUOOENRYIGG-ZDUSSCGKSA-N 2 0 350.488 0.980 20 0 FCADRP NC(=O)C1(N2CCCCC2)CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783562 675972989 /nfs/dbraw/zinc/97/29/89/675972989.db2.gz ZEIRTDFEUOPWLZ-WMZOPIPTSA-N 2 0 350.507 0.561 20 0 FCADRP O=S(=O)(N1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000863552482 672137234 /nfs/dbraw/zinc/13/72/34/672137234.db2.gz SIGRMWANVJOGCS-GFCCVEGCSA-N 2 0 359.414 0.347 20 0 FCADRP O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000864305035 672187782 /nfs/dbraw/zinc/18/77/82/672187782.db2.gz VYFMAYUDJZKFLM-WFASDCNBSA-N 2 0 358.364 0.981 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865449657 672243142 /nfs/dbraw/zinc/24/31/42/672243142.db2.gz YPXBVFPUGIVBGE-SJLPKXTDSA-N 2 0 350.511 0.820 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)CC[N@@H+]1C ZINC001055358990 676017522 /nfs/dbraw/zinc/01/75/22/676017522.db2.gz WBJNBIVQIDYTMI-VVLHAWIVSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923628934 672538612 /nfs/dbraw/zinc/53/86/12/672538612.db2.gz QKYGTUWZHZUOTC-HZPDHXFCSA-N 2 0 366.531 0.883 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C1/SCC(=O)N1C ZINC000874266296 672771866 /nfs/dbraw/zinc/77/18/66/672771866.db2.gz IOOWMBWWMPEBGS-SWEABUAFSA-N 2 0 354.520 0.908 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000874432150 672783341 /nfs/dbraw/zinc/78/33/41/672783341.db2.gz HHPXZYKBBAIVND-ZNMIVQPWSA-N 2 0 351.451 0.047 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923654729 672997023 /nfs/dbraw/zinc/99/70/23/672997023.db2.gz KWPUCJTZDWFGRN-KRWDZBQOSA-N 2 0 352.504 0.385 20 0 FCADRP CC[NH+](CC)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883032946 673364274 /nfs/dbraw/zinc/36/42/74/673364274.db2.gz YOVOCYBIQCDJGK-UHFFFAOYSA-N 2 0 353.511 0.844 20 0 FCADRP C[C@H]1CN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000883472559 673378002 /nfs/dbraw/zinc/37/80/02/673378002.db2.gz FAKFSTVPQCZGLT-AWEZNQCLSA-N 2 0 353.492 0.521 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900753 673402175 /nfs/dbraw/zinc/40/21/75/673402175.db2.gz QBCCCZZTRXNYKY-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344334 673448806 /nfs/dbraw/zinc/44/88/06/673448806.db2.gz CMVBOQYEBKQUEK-XHSDSOJGSA-N 2 0 351.495 0.367 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884450240 673453873 /nfs/dbraw/zinc/45/38/73/673453873.db2.gz CBCJXVPIINEKRT-UAGQMJEPSA-N 2 0 367.515 0.633 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884503846 673457660 /nfs/dbraw/zinc/45/76/60/673457660.db2.gz VFDQJYLLFZONOO-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516830 673459408 /nfs/dbraw/zinc/45/94/08/673459408.db2.gz VPEJYIQBTWKYHO-JKSUJKDBSA-N 2 0 352.479 0.086 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884524488 673459906 /nfs/dbraw/zinc/45/99/06/673459906.db2.gz YZRHXQVJHFYCJP-CYBMUJFWSA-N 2 0 360.449 0.728 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000884553708 673461549 /nfs/dbraw/zinc/46/15/49/673461549.db2.gz FRXWGXLCSMXZFU-MNOVXSKESA-N 2 0 363.487 0.228 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000884554306 673461667 /nfs/dbraw/zinc/46/16/67/673461667.db2.gz QPYWSFNEOPJDED-LPMFXHHGSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884577584 673463578 /nfs/dbraw/zinc/46/35/78/673463578.db2.gz IIBRFQBOVMJBBX-IUVQAAGXSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884598331 673464822 /nfs/dbraw/zinc/46/48/22/673464822.db2.gz YKPYCJFCCLDUTL-TXPKVOOTSA-N 2 0 350.507 0.825 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884603777 673465489 /nfs/dbraw/zinc/46/54/89/673465489.db2.gz QWXKXADCCUUWBD-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612542 673465923 /nfs/dbraw/zinc/46/59/23/673465923.db2.gz NWDCEPATFIQTME-ROUUACIJSA-N 2 0 368.547 0.532 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000884640899 673469032 /nfs/dbraw/zinc/46/90/32/673469032.db2.gz UDFVGYUKRMARKZ-LJQANCHMSA-N 2 0 350.507 0.969 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643114 673469255 /nfs/dbraw/zinc/46/92/55/673469255.db2.gz XOFLUVRQKSAIRP-KDOFPFPSSA-N 2 0 354.495 0.047 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000884705749 673474901 /nfs/dbraw/zinc/47/49/01/673474901.db2.gz GTAXFKAXCBMGBT-ZIAGYGMSSA-N 2 0 354.495 0.548 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705838 673474982 /nfs/dbraw/zinc/47/49/82/673474982.db2.gz JHLKNKGCLAEACJ-DWBBHFSCSA-N 2 0 354.495 0.595 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884723283 673477317 /nfs/dbraw/zinc/47/73/17/673477317.db2.gz FVDAVVFILZZLMI-INIZCTEOSA-N 2 0 354.495 0.206 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[NH2+]C1 ZINC000884884398 673488507 /nfs/dbraw/zinc/48/85/07/673488507.db2.gz CESUTTCWMJEITR-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[NH2+]C1 ZINC000884884401 673488650 /nfs/dbraw/zinc/48/86/50/673488650.db2.gz CESUTTCWMJEITR-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000884966741 673493855 /nfs/dbraw/zinc/49/38/55/673493855.db2.gz RYHXERBTTOACOF-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000884976589 673495308 /nfs/dbraw/zinc/49/53/08/673495308.db2.gz URNNCGYDOYKVCC-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000884985850 673495929 /nfs/dbraw/zinc/49/59/29/673495929.db2.gz BZAZKJBQGBOZKA-YHQYMHHMSA-N 2 0 350.507 0.951 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000885008922 673497691 /nfs/dbraw/zinc/49/76/91/673497691.db2.gz UIFDKKUBVRKNHR-KSWRQPAISA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144177 673505590 /nfs/dbraw/zinc/50/55/90/673505590.db2.gz BBLCESZYISUFFL-OAHLLOKOSA-N 2 0 354.495 0.060 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885286103 673512361 /nfs/dbraw/zinc/51/23/61/673512361.db2.gz SBXKSYDXDUEWJX-AWEZNQCLSA-N 2 0 362.465 0.928 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000885459929 673522072 /nfs/dbraw/zinc/52/20/72/673522072.db2.gz PYXMUGJMHCGOFE-SJORKVTESA-N 2 0 358.552 0.512 20 0 FCADRP CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000887068688 673618548 /nfs/dbraw/zinc/61/85/48/673618548.db2.gz QAFPPVDYVKRMOJ-OAHLLOKOSA-N 2 0 350.463 0.770 20 0 FCADRP C[C@@H](CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130329 673704459 /nfs/dbraw/zinc/70/44/59/673704459.db2.gz QDJGYMLYVBKFKZ-DLBZAZTESA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967754 673771451 /nfs/dbraw/zinc/77/14/51/673771451.db2.gz YQUOUSYOVILKFD-ZBFHGGJFSA-N 2 0 374.551 0.224 20 0 FCADRP C[C@H](C[NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000924966682 673771473 /nfs/dbraw/zinc/77/14/73/673771473.db2.gz TVOSMIDDQBJUFI-HZPDHXFCSA-N 2 0 356.511 0.848 20 0 FCADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023662 673774320 /nfs/dbraw/zinc/77/43/20/673774320.db2.gz OKDQBHCNDYVFFF-DOTOQJQBSA-N 2 0 361.552 0.873 20 0 FCADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023664 673774445 /nfs/dbraw/zinc/77/44/45/673774445.db2.gz OKDQBHCNDYVFFF-RDJZCZTQSA-N 2 0 361.552 0.873 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cn1 ZINC000925581785 673794301 /nfs/dbraw/zinc/79/43/01/673794301.db2.gz VANDWKPVHXADQG-XBJNOIPFSA-N 2 0 365.503 0.159 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637134 673873601 /nfs/dbraw/zinc/87/36/01/673873601.db2.gz NSLPQZZROTXJPM-ZOBUZTSGSA-N 2 0 354.495 0.336 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)CC1(CC(=O)NC[C@H]2CC[N@H+]2C)CCCC1 ZINC000928564303 673919839 /nfs/dbraw/zinc/91/98/39/673919839.db2.gz UTDXJXOFJIZDMJ-IYBDPMFKSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC001008168785 675309175 /nfs/dbraw/zinc/30/91/75/675309175.db2.gz QSOXWIGEULYDHZ-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011134996 675374292 /nfs/dbraw/zinc/37/42/92/675374292.db2.gz UIKJTIWROXKINJ-BRWVUGGUSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001014501312 675391494 /nfs/dbraw/zinc/39/14/94/675391494.db2.gz JHSDMGKIPAQVCX-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001016575280 675402413 /nfs/dbraw/zinc/40/24/13/675402413.db2.gz XTKVPHRONGQCLA-LHUBUQBQSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001018873177 675417930 /nfs/dbraw/zinc/41/79/30/675417930.db2.gz MUKBLCHROGAWJV-YESZJQIVSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019069066 675420889 /nfs/dbraw/zinc/42/08/89/675420889.db2.gz ASFBBLIUEBKFIV-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020174742 675436489 /nfs/dbraw/zinc/43/64/89/675436489.db2.gz OVQINIXRLQCCAX-UVPYHEFZSA-N 2 0 357.520 0.388 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001039132817 675447516 /nfs/dbraw/zinc/44/75/16/675447516.db2.gz OVXITMCWQGXWST-YESZJQIVSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001045444933 675654018 /nfs/dbraw/zinc/65/40/18/675654018.db2.gz KXRHAECLESFUON-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)CC[N@@H+]1C ZINC001045671797 675656747 /nfs/dbraw/zinc/65/67/47/675656747.db2.gz IZUNVJOOMVZRPS-IXDOHACOSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](CC(N)=O)C3)C2)CC[N@@H+]1C ZINC001045939134 675673830 /nfs/dbraw/zinc/67/38/30/675673830.db2.gz WFIPKVNLMBRJPB-FCEWJHQRSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438693 675681738 /nfs/dbraw/zinc/68/17/38/675681738.db2.gz CFLMSNKRMIKITL-ZGUYJTEBSA-N 2 0 351.491 0.857 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602270 675698814 /nfs/dbraw/zinc/69/88/14/675698814.db2.gz PLYVXVIHMHFWCL-ZWKOTPCHSA-N 2 0 352.523 0.460 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900732576 675711567 /nfs/dbraw/zinc/71/15/67/675711567.db2.gz MPAQBKUHOMLNAH-KZNAEPCWSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900802434 675717480 /nfs/dbraw/zinc/71/74/80/675717480.db2.gz FJEWKEJCHMBRQU-CPFNUKBASA-N 2 0 352.523 0.628 20 0 FCADRP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900805747 675718435 /nfs/dbraw/zinc/71/84/35/675718435.db2.gz QERVLAMKDXAPRT-IRXDYDNUSA-N 2 0 352.523 0.772 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(CO)[nH]cc(OC)c2=O)C1 ZINC000902170158 675837467 /nfs/dbraw/zinc/83/74/67/675837467.db2.gz GQZQGKCEVQWCLW-CQSZACIVSA-N 2 0 353.463 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC000969208226 1167814215 /nfs/dbraw/zinc/81/42/15/1167814215.db2.gz JUWUEJKMJSETKR-SOVHRIKKSA-N 2 0 362.518 0.869 20 0 FCADRP COc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cn1 ZINC000969958143 1168235742 /nfs/dbraw/zinc/23/57/42/1168235742.db2.gz IZPHGBDYSKCAPA-CKEIUWERSA-N 2 0 362.474 0.746 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000970638970 1169226991 /nfs/dbraw/zinc/22/69/91/1169226991.db2.gz WDAOLTOSMXBKJC-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104289006 1169390177 /nfs/dbraw/zinc/39/01/77/1169390177.db2.gz BRHIHGYCWNJGDB-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)C1 ZINC001021699845 1169894240 /nfs/dbraw/zinc/89/42/40/1169894240.db2.gz YGKCZMNGQLGPLE-LZLYRXPVSA-N 2 0 367.453 0.959 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC001021701623 1169895815 /nfs/dbraw/zinc/89/58/15/1169895815.db2.gz BGDNOYGMMWQXLI-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322367 1169957335 /nfs/dbraw/zinc/95/73/35/1169957335.db2.gz FEYRLOSNSASCFI-FMKPAKJESA-N 2 0 369.510 0.102 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccnn1C ZINC001104347264 1170137695 /nfs/dbraw/zinc/13/76/95/1170137695.db2.gz UHMGTAMKTZHEEC-YFHUEUNASA-N 2 0 363.506 0.713 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001104348769 1170202434 /nfs/dbraw/zinc/20/24/34/1170202434.db2.gz TZLDHIKTUWLPLU-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022035444 1170443976 /nfs/dbraw/zinc/44/39/76/1170443976.db2.gz MVODJRYJHSBUKP-RYQLBKOJSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CCC1 ZINC001022039886 1170461320 /nfs/dbraw/zinc/46/13/20/1170461320.db2.gz XPFQGGIXYHWVEG-FUHWJXTLSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891443717 1170503323 /nfs/dbraw/zinc/50/33/23/1170503323.db2.gz DONLVZYYIYZBKI-IAGOWNOFSA-N 2 0 358.490 0.869 20 0 FCADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022098618 1170639404 /nfs/dbraw/zinc/63/94/04/1170639404.db2.gz NOKIOUNBIUJWJF-JJTUDDRGSA-N 2 0 366.506 0.234 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@@H+]1C1CC1 ZINC000891662502 1170801889 /nfs/dbraw/zinc/80/18/89/1170801889.db2.gz YCNWPNVGMDQGGF-IVCRCZCHSA-N 2 0 363.462 0.188 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000891714041 1170833210 /nfs/dbraw/zinc/83/32/10/1170833210.db2.gz KMBNEQRQDPFRAD-IAGOWNOFSA-N 2 0 358.490 0.679 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001691263654 1170984424 /nfs/dbraw/zinc/98/44/24/1170984424.db2.gz ZYMJRPLHHURTPC-HRCADAONSA-N 2 0 363.510 0.799 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001691268471 1171002758 /nfs/dbraw/zinc/00/27/58/1171002758.db2.gz QAAMESVILJITBS-IXDOHACOSA-N 2 0 361.490 0.819 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891976051 1171380098 /nfs/dbraw/zinc/38/00/98/1171380098.db2.gz IMDXJIYIDKAQGX-QGZVFWFLSA-N 2 0 367.538 0.744 20 0 FCADRP NC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999358 1171457398 /nfs/dbraw/zinc/45/73/98/1171457398.db2.gz BLPOZFDEZBFHBM-STQMWFEESA-N 2 0 371.489 0.873 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000892007255 1171475751 /nfs/dbraw/zinc/47/57/51/1171475751.db2.gz PMXRIJFVXFAIJC-JONQDZQNSA-N 2 0 365.478 0.471 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892232335 1171782411 /nfs/dbraw/zinc/78/24/11/1171782411.db2.gz DJQLYEAZPKYAKX-GOSISDBHSA-N 2 0 367.538 0.472 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892275610 1171957125 /nfs/dbraw/zinc/95/71/25/1171957125.db2.gz YYFTVEAYABOEET-IRXDYDNUSA-N 2 0 365.522 0.367 20 0 FCADRP Cc1cnc([C@H](C)N2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cn1 ZINC001083249694 1172025476 /nfs/dbraw/zinc/02/54/76/1172025476.db2.gz RJNIUMKQSWKHNQ-RYQLBKOJSA-N 2 0 371.485 0.853 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nccn3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088678099 1192816927 /nfs/dbraw/zinc/81/69/27/1192816927.db2.gz GMNVFSYUNWPLFY-PMPSAXMXSA-N 2 0 359.474 0.647 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001059969281 1192812864 /nfs/dbraw/zinc/81/28/64/1192812864.db2.gz FFEBRJJMBYOKTP-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001691579000 1192891609 /nfs/dbraw/zinc/89/16/09/1192891609.db2.gz UPTMQCDJWYQJLJ-IXDOHACOSA-N 2 0 352.523 0.974 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000550636549 1192891851 /nfs/dbraw/zinc/89/18/51/1192891851.db2.gz XHVHQWZXGLUEAA-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)[C@H]2C1 ZINC000892369730 1179872089 /nfs/dbraw/zinc/87/20/89/1179872089.db2.gz JHJKEYXDPHMAHU-SJORKVTESA-N 2 0 358.490 0.679 20 0 FCADRP C[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H](CNCc2ncnn2CCF)C1 ZINC001087251467 1180101734 /nfs/dbraw/zinc/10/17/34/1180101734.db2.gz WPUJRWQIWZMVOJ-CABCVRRESA-N 2 0 363.441 0.861 20 0 FCADRP CCCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC(=O)N(C)C1=O ZINC000548926094 1181339148 /nfs/dbraw/zinc/33/91/48/1181339148.db2.gz URRGNJIDIDQZCQ-DLBZAZTESA-N 2 0 374.485 0.875 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000892500701 1181366493 /nfs/dbraw/zinc/36/64/93/1181366493.db2.gz DDGFYMLGUANRLL-KRWDZBQOSA-N 2 0 367.538 0.993 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000782680914 1181726230 /nfs/dbraw/zinc/72/62/30/1181726230.db2.gz PABDBGWCFBVWSH-UHFFFAOYSA-N 2 0 361.490 0.787 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000892528008 1181742007 /nfs/dbraw/zinc/74/20/07/1181742007.db2.gz AZLRHDFCOOPIAU-KRWDZBQOSA-N 2 0 357.462 0.962 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001745258116 1181801152 /nfs/dbraw/zinc/80/11/52/1181801152.db2.gz FYAHJVMZKGWXHJ-BZUAXINKSA-N 2 0 361.490 0.971 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559425 1181868746 /nfs/dbraw/zinc/86/87/46/1181868746.db2.gz JVSZMTKNLYCLNR-BBWFWOEESA-N 2 0 361.490 0.312 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000892582569 1181889647 /nfs/dbraw/zinc/88/96/47/1181889647.db2.gz DYCHVPHBHAWDNM-JCNLHEQBSA-N 2 0 365.522 0.747 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892685591 1182276593 /nfs/dbraw/zinc/27/65/93/1182276593.db2.gz ALTUVSSKWARCSB-QZTJIDSGSA-N 2 0 368.522 0.728 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000892790199 1182507513 /nfs/dbraw/zinc/50/75/13/1182507513.db2.gz ZJWXKGBOTZYMLH-FGTMMUONSA-N 2 0 354.458 0.571 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892920155 1182578962 /nfs/dbraw/zinc/57/89/62/1182578962.db2.gz UBRSXLADIADAAU-IRXDYDNUSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001025684095 1182683019 /nfs/dbraw/zinc/68/30/19/1182683019.db2.gz CGJRKRXSEUBFOE-GVDBMIGSSA-N 2 0 366.506 0.035 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789673 1182839493 /nfs/dbraw/zinc/83/94/93/1182839493.db2.gz VNZSYYJYSNFNFX-KDGIVYDMSA-N 2 0 365.518 0.815 20 0 FCADRP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792940 1182844549 /nfs/dbraw/zinc/84/45/49/1182844549.db2.gz PBFAPWUTPGAMKF-WILKKADYSA-N 2 0 362.518 0.820 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063348 1182877694 /nfs/dbraw/zinc/87/76/94/1182877694.db2.gz PKNGSZCKQLHXDI-IGERKEGBSA-N 2 0 370.497 0.513 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063292 1182878071 /nfs/dbraw/zinc/87/80/71/1182878071.db2.gz DUNSTGCOIUVHQP-NYLIBXOJSA-N 2 0 370.497 0.642 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104809533 1182928536 /nfs/dbraw/zinc/92/85/36/1182928536.db2.gz KCGISGHFAQBASW-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104812176 1182931492 /nfs/dbraw/zinc/93/14/92/1182931492.db2.gz MRICFHCSGCNCKK-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104813110 1182933551 /nfs/dbraw/zinc/93/35/51/1182933551.db2.gz YLUJJNMDYYGHEU-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237933 1182966075 /nfs/dbraw/zinc/96/60/75/1182966075.db2.gz PSJFVWYWFLTMMN-KURKYZTESA-N 2 0 367.538 0.111 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001105007665 1183065629 /nfs/dbraw/zinc/06/56/29/1183065629.db2.gz DHIRWRPJQIDMTR-KBAYOESNSA-N 2 0 360.502 0.911 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007983 1183065741 /nfs/dbraw/zinc/06/57/41/1183065741.db2.gz KXVITEZBOWZGRU-OAGGEKHMSA-N 2 0 363.510 0.780 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008326 1183066876 /nfs/dbraw/zinc/06/68/76/1183066876.db2.gz YJKNCERTYFYVNZ-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010371 1183068042 /nfs/dbraw/zinc/06/80/42/1183068042.db2.gz IRXSLCRFLNOUFH-ZACQAIPSSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001105014710 1183068935 /nfs/dbraw/zinc/06/89/35/1183068935.db2.gz YEDVCLRVMQCXGR-HZPDHXFCSA-N 2 0 366.485 0.918 20 0 FCADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)C1 ZINC001105042096 1183089188 /nfs/dbraw/zinc/08/91/88/1183089188.db2.gz NIKISMZNVQCJAX-NUJGCVRESA-N 2 0 363.506 0.715 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccccc1 ZINC001267987912 1183286902 /nfs/dbraw/zinc/28/69/02/1183286902.db2.gz ZPZLENAKZPWSRI-LZLYRXPVSA-N 2 0 360.502 0.985 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000974582512 1183361104 /nfs/dbraw/zinc/36/11/04/1183361104.db2.gz XVUHQSPTQQXTPA-BRWVUGGUSA-N 2 0 360.502 0.483 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523281 1183368113 /nfs/dbraw/zinc/36/81/13/1183368113.db2.gz LCRRLLPGFMFTDC-LPHOPBHVSA-N 2 0 368.522 0.309 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523444 1183391988 /nfs/dbraw/zinc/39/19/88/1183391988.db2.gz UAYNBJJMHRDIGN-LPHOPBHVSA-N 2 0 368.522 0.309 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001026853930 1183425170 /nfs/dbraw/zinc/42/51/70/1183425170.db2.gz VXTUEQUEIHQFFA-BZUAXINKSA-N 2 0 363.510 0.752 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975210608 1183772700 /nfs/dbraw/zinc/77/27/00/1183772700.db2.gz IVVOBXSNCJZWQN-GVDBMIGSSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211661699 1183783432 /nfs/dbraw/zinc/78/34/32/1183783432.db2.gz HEXSYFOUJLXYFY-OKZBNKHCSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000975718956 1185641638 /nfs/dbraw/zinc/64/16/38/1185641638.db2.gz DLBITSVRYUJTGY-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC[N@@H+]1C ZINC000978960224 1186035272 /nfs/dbraw/zinc/03/52/72/1186035272.db2.gz ODLJQCQXLFPROZ-BKQXGZDCSA-N 2 0 359.474 0.864 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112529719 1186090119 /nfs/dbraw/zinc/09/01/19/1186090119.db2.gz LZIRRGDUFTVGAM-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112529963 1186093920 /nfs/dbraw/zinc/09/39/20/1186093920.db2.gz XNEYUXZBVPISRE-LNLFQRSKSA-N 2 0 360.506 0.838 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530412 1186133581 /nfs/dbraw/zinc/13/35/81/1186133581.db2.gz SUNYBUSUECJEEC-QKLQHJQFSA-N 2 0 367.534 0.944 20 0 FCADRP NC(=O)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428191 1186175080 /nfs/dbraw/zinc/17/50/80/1186175080.db2.gz RFZZAADGUGENKA-GUDVDZBRSA-N 2 0 370.497 0.788 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211722645 1187470304 /nfs/dbraw/zinc/47/03/04/1187470304.db2.gz JGYCYKSSQMLGNA-GBESFXJTSA-N 2 0 361.486 0.674 20 0 FCADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCNC(=O)C1 ZINC000893764652 1187514893 /nfs/dbraw/zinc/51/48/93/1187514893.db2.gz SPLPQRFTGVBRQM-LJQANCHMSA-N 2 0 359.474 0.626 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893867863 1187518970 /nfs/dbraw/zinc/51/89/70/1187518970.db2.gz RWAGCPBORUPAMN-ZWKOTPCHSA-N 2 0 367.538 0.253 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000894109372 1187552446 /nfs/dbraw/zinc/55/24/46/1187552446.db2.gz OQYLZDSOLBYTQZ-CEXWTWQISA-N 2 0 358.486 0.956 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000549939904 1187751777 /nfs/dbraw/zinc/75/17/77/1187751777.db2.gz FEOUJLYMGDLDIM-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000983004542 1187812986 /nfs/dbraw/zinc/81/29/86/1187812986.db2.gz HZOMHSPMYPHURU-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000983139309 1187839394 /nfs/dbraw/zinc/83/93/94/1187839394.db2.gz SJGPIFZBKGEEGJ-QBPKDAKJSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001270121228 1188021342 /nfs/dbraw/zinc/02/13/42/1188021342.db2.gz ZYTISBZRVJOITC-UZLBHIALSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)CCc3ncc[nH]3)C2)C1=O ZINC001270334341 1188099483 /nfs/dbraw/zinc/09/94/83/1188099483.db2.gz HVXJRVPDQLRZCU-SFHVURJKSA-N 2 0 361.446 0.272 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332607 1188100936 /nfs/dbraw/zinc/10/09/36/1188100936.db2.gz KMGKVLBJBZNPNV-HNAYVOBHSA-N 2 0 364.490 0.258 20 0 FCADRP COc1ccc([C@@H]2CC[N@H+](CCO)C[C@@H]2NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001087476756 1188248146 /nfs/dbraw/zinc/24/81/46/1188248146.db2.gz CYFZPJMLPLWWIO-NEWSRXKRSA-N 2 0 361.486 0.913 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000550455600 1189491785 /nfs/dbraw/zinc/49/17/85/1189491785.db2.gz ARCUCOPEBGOWKT-USXIJHARSA-N 2 0 366.506 0.058 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075813751 1189604584 /nfs/dbraw/zinc/60/45/84/1189604584.db2.gz XNFXLIRNZDEKNY-MWDXBVQZSA-N 2 0 363.506 0.275 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001087659408 1189711695 /nfs/dbraw/zinc/71/16/95/1189711695.db2.gz FEUSDKZMFHQYLA-HRCADAONSA-N 2 0 357.462 0.940 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001087684696 1189745058 /nfs/dbraw/zinc/74/50/58/1189745058.db2.gz JAVVHWCGUBBJAI-JKSUJKDBSA-N 2 0 365.522 0.855 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895463696 1189859257 /nfs/dbraw/zinc/85/92/57/1189859257.db2.gz ANESIKBLOAQPNC-MOPGFXCFSA-N 2 0 359.470 0.724 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986445 1190116029 /nfs/dbraw/zinc/11/60/29/1190116029.db2.gz LLLJYNYARFXJRJ-SQNIBIBYSA-N 2 0 360.506 0.933 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)CCC1 ZINC001087992774 1190143763 /nfs/dbraw/zinc/14/37/63/1190143763.db2.gz LVNWUINOBWKPEH-CVEARBPZSA-N 2 0 363.506 0.276 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088042070 1190299522 /nfs/dbraw/zinc/29/95/22/1190299522.db2.gz WJCMVVSRLYTVNI-UKPHBRMFSA-N 2 0 353.426 0.617 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1)N1CCC1 ZINC001088042073 1190300046 /nfs/dbraw/zinc/30/00/46/1190300046.db2.gz WNKPLSLLKXEUQF-WBVHZDCISA-N 2 0 367.453 0.961 20 0 FCADRP CO[C@@H](CN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001271288884 1190386648 /nfs/dbraw/zinc/38/66/48/1190386648.db2.gz ABOGEWVRGUDNMH-NXHRZFHOSA-N 2 0 361.486 0.877 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105961 1190592507 /nfs/dbraw/zinc/59/25/07/1190592507.db2.gz JMINPARZQPWAMN-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088130599 1190633062 /nfs/dbraw/zinc/63/30/62/1190633062.db2.gz WOHUJUTWPOHYER-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128075 1190899875 /nfs/dbraw/zinc/89/98/75/1190899875.db2.gz QXNPRZINFDZSHV-ZACQAIPSSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CCO[C@@H](C(=O)N2CCO[C@@H]3CN(CCOCC4CCC4)C[C@@H]32)C1 ZINC001217595081 1224115804 /nfs/dbraw/zinc/11/58/04/1224115804.db2.gz KRTCCQHQWJUSQF-RCCFBDPRSA-N 2 0 367.490 0.045 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886198 1191116931 /nfs/dbraw/zinc/11/69/31/1191116931.db2.gz HLVNTJVOQHYRRW-XYJFISCASA-N 2 0 362.518 0.920 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)n1 ZINC001075887223 1191132458 /nfs/dbraw/zinc/13/24/58/1191132458.db2.gz BRNLTBCKSKOTRG-FUHWJXTLSA-N 2 0 360.506 0.912 20 0 FCADRP Cc1cncn1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988146642 1191153454 /nfs/dbraw/zinc/15/34/54/1191153454.db2.gz OSMXDTRPALBZLG-BRWVUGGUSA-N 2 0 361.490 0.839 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C)CC[N@@H+]1C ZINC000988336473 1191180932 /nfs/dbraw/zinc/18/09/32/1191180932.db2.gz PNYSKHIJFHQYSA-LTIDMASMSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618908 1191208618 /nfs/dbraw/zinc/20/86/18/1191208618.db2.gz FMJROIADBQTQJD-SJORKVTESA-N 2 0 366.506 0.794 20 0 FCADRP Cc1cc(CN2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)ncn1 ZINC001088574760 1191214422 /nfs/dbraw/zinc/21/44/22/1191214422.db2.gz PAUTYIGSZVTDBP-WBVHZDCISA-N 2 0 371.489 0.936 20 0 FCADRP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001691584524 1193739207 /nfs/dbraw/zinc/73/92/07/1193739207.db2.gz FQKZEETVZJMIKC-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584507 1193739670 /nfs/dbraw/zinc/73/96/70/1193739670.db2.gz FBTXRSFUDXEQDG-MSOLQXFVSA-N 2 0 366.506 0.015 20 0 FCADRP Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)n1 ZINC001083465371 1193761958 /nfs/dbraw/zinc/76/19/58/1193761958.db2.gz BDEFHFKZWRGOKH-QRVBRYPASA-N 2 0 358.486 0.702 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)nc2)CC1 ZINC001218515995 1224166443 /nfs/dbraw/zinc/16/64/43/1224166443.db2.gz PYFSLWNVQIBLKD-WMZOPIPTSA-N 2 0 372.517 0.846 20 0 FCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCOCCO)C1 ZINC001691621549 1193807487 /nfs/dbraw/zinc/80/74/87/1193807487.db2.gz XVZLRWJLXNEYKZ-BZUAXINKSA-N 2 0 350.463 0.883 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551166713 1193838370 /nfs/dbraw/zinc/83/83/70/1193838370.db2.gz USTAPXASBZPTLH-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218558328 1224173144 /nfs/dbraw/zinc/17/31/44/1224173144.db2.gz YEEHKSVWEPFBKS-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000990521849 1193872403 /nfs/dbraw/zinc/87/24/03/1193872403.db2.gz GSBUEZMJVZQALV-QYZOEREBSA-N 2 0 370.497 0.753 20 0 FCADRP O=C([C@H]1CCc2nccn2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075965837 1193885094 /nfs/dbraw/zinc/88/50/94/1193885094.db2.gz FTFFFJCTEQGRSR-HRCADAONSA-N 2 0 355.446 0.270 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C23CC[NH+](CC2)C3)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105666351 1193890387 /nfs/dbraw/zinc/89/03/87/1193890387.db2.gz DXFBYDPAUHSOBN-PDOICOKGSA-N 2 0 365.518 0.431 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105666396 1193890801 /nfs/dbraw/zinc/89/08/01/1193890801.db2.gz FFGRNAAORMOULG-PDOICOKGSA-N 2 0 365.518 0.695 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105666401 1193890873 /nfs/dbraw/zinc/89/08/73/1193890873.db2.gz FFGRNAAORMOULG-WWNBULGVSA-N 2 0 365.518 0.695 20 0 FCADRP Cc1cc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757214 1193891835 /nfs/dbraw/zinc/89/18/35/1193891835.db2.gz NWSVPKXUZLILTE-AHZKFYHPSA-N 2 0 371.485 0.727 20 0 FCADRP Cc1oncc1CN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757453 1193892193 /nfs/dbraw/zinc/89/21/93/1193892193.db2.gz ZYCWXMLHSAUGEX-QEVJQSPQSA-N 2 0 360.458 0.925 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472276 1193901812 /nfs/dbraw/zinc/90/18/12/1193901812.db2.gz PACIGCHOLQTVHW-AXUOBQJMSA-N 2 0 361.486 0.739 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC001218579267 1224177062 /nfs/dbraw/zinc/17/70/62/1224177062.db2.gz BIFBDQIJZDPSKU-INIZCTEOSA-N 2 0 363.510 0.663 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105667819 1193941800 /nfs/dbraw/zinc/94/18/00/1193941800.db2.gz UDCMKTYABGRPIW-ZAWLATJESA-N 2 0 371.522 0.177 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105668046 1193946399 /nfs/dbraw/zinc/94/63/99/1193946399.db2.gz HCJNIPAHPYKXAZ-LTDCPUDJSA-N 2 0 368.522 0.040 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000553025320 1193965384 /nfs/dbraw/zinc/96/53/84/1193965384.db2.gz WWSWISZXWSMDNG-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP Nc1ccnc(-c2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccn2)c1 ZINC001218612808 1224182473 /nfs/dbraw/zinc/18/24/73/1224182473.db2.gz GWOYDLZGPHUCNM-HNNXBMFYSA-N 2 0 355.446 0.415 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553261097 1193986207 /nfs/dbraw/zinc/98/62/07/1193986207.db2.gz NJZPZUNXGUATOV-UHFFFAOYSA-N 2 0 366.506 0.302 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553263032 1193986443 /nfs/dbraw/zinc/98/64/43/1193986443.db2.gz AAFZPZPLXPJSEP-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C1 ZINC000553712359 1194016191 /nfs/dbraw/zinc/01/61/91/1194016191.db2.gz QUKQOISXHUZQBY-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001218642170 1224188482 /nfs/dbraw/zinc/18/84/82/1224188482.db2.gz QFJMIZZLGPLUPJ-CVEARBPZSA-N 2 0 352.398 0.079 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191460 1194085976 /nfs/dbraw/zinc/08/59/76/1194085976.db2.gz XVKNSSOBQVDQPV-FXAWDEMLSA-N 2 0 358.486 0.822 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218669804 1224192963 /nfs/dbraw/zinc/19/29/63/1224192963.db2.gz XBXKMBQHINUPIO-KRWDZBQOSA-N 2 0 366.510 0.649 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228898 1194108565 /nfs/dbraw/zinc/10/85/65/1194108565.db2.gz CDKDGWRPSWFWQX-QZTJIDSGSA-N 2 0 358.486 0.747 20 0 FCADRP CN1CCC[C@@H]1c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC000899159051 1194115176 /nfs/dbraw/zinc/11/51/76/1194115176.db2.gz UMZYRAZBFPLIQP-IIDMSEBBSA-N 3 0 362.522 0.988 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518735 1194124332 /nfs/dbraw/zinc/12/43/32/1194124332.db2.gz OCEKKDKUEOCVFM-NXHRZFHOSA-N 2 0 363.506 0.102 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521946 1194135030 /nfs/dbraw/zinc/13/50/30/1194135030.db2.gz NBPNOEBZYRCDBO-QRVBRYPASA-N 2 0 367.534 0.942 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524032 1194154767 /nfs/dbraw/zinc/15/47/67/1194154767.db2.gz DVNLJRUDUFKLHR-KURKYZTESA-N 2 0 363.506 0.387 20 0 FCADRP [NH3+]Cc1cncc(NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)c1 ZINC001218705571 1224200276 /nfs/dbraw/zinc/20/02/76/1224200276.db2.gz UVWRVGZJMZGZMF-MRXNPFEDSA-N 2 0 373.482 0.856 20 0 FCADRP Nc1cn(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])ccc1=[NH2+] ZINC001218693997 1224196955 /nfs/dbraw/zinc/19/69/55/1224196955.db2.gz QIYBXOREGRJMOJ-INIZCTEOSA-N 2 0 352.398 0.357 20 0 FCADRP Nc1cccnc1N(C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1)C1CC[NH2+]CC1 ZINC001218694658 1224197144 /nfs/dbraw/zinc/19/71/44/1224197144.db2.gz CDONJNIIPYMLSA-CYBMUJFWSA-N 2 0 355.446 0.365 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218694669 1224197995 /nfs/dbraw/zinc/19/79/95/1224197995.db2.gz CJIWAVZSFWWIKA-MRXNPFEDSA-N 2 0 359.474 0.908 20 0 FCADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710859 1224202050 /nfs/dbraw/zinc/20/20/50/1224202050.db2.gz MYEALQPNJSFMDC-RYUDHWBXSA-N 2 0 357.418 0.580 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723810 1224206413 /nfs/dbraw/zinc/20/64/13/1224206413.db2.gz DNNABHKPLGLPMI-HUUCEWRRSA-N 2 0 361.446 0.346 20 0 FCADRP Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n(CCF)n1 ZINC001218744012 1224210457 /nfs/dbraw/zinc/21/04/57/1224210457.db2.gz RYZYQIJYMOMGAJ-KBPBESRZSA-N 2 0 368.457 0.547 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001691626546 1194322194 /nfs/dbraw/zinc/32/21/94/1194322194.db2.gz JEDHXAYXRXMHJK-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP CC(=O)[C@@H](C)N1C(=O)C[C@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794351 1224209317 /nfs/dbraw/zinc/20/93/17/1224209317.db2.gz HRIHURKQSISFCJ-MUKKUYKPSA-N 2 0 367.490 0.554 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001076204098 1194352603 /nfs/dbraw/zinc/35/26/03/1194352603.db2.gz RGXYQJRACWOMKX-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001076398830 1194454768 /nfs/dbraw/zinc/45/47/68/1194454768.db2.gz IGOORHQKVXESRJ-DLBZAZTESA-N 2 0 363.506 0.276 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001076398858 1194455430 /nfs/dbraw/zinc/45/54/30/1194455430.db2.gz JPIDTGVOJKPHOB-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001218855639 1224241156 /nfs/dbraw/zinc/24/11/56/1224241156.db2.gz LMRYQHCMIYHVKT-QGZVFWFLSA-N 2 0 372.473 0.990 20 0 FCADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218872768 1224244992 /nfs/dbraw/zinc/24/49/92/1224244992.db2.gz BBENEEQVDLHQOQ-ZYSHUDEJSA-N 2 0 374.485 0.506 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077128815 1195244181 /nfs/dbraw/zinc/24/41/81/1195244181.db2.gz GFGTVILLFWBFHM-GUDVDZBRSA-N 2 0 365.518 0.981 20 0 FCADRP CC[C@]1(c2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2)CCC(=O)NC1=O ZINC001218950724 1224270184 /nfs/dbraw/zinc/27/01/84/1224270184.db2.gz XRLKKGRFPGANFE-FOIQADDNSA-N 2 0 370.453 0.519 20 0 FCADRP CC[C@@]1(c2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2)CCC(=O)NC1=O ZINC001218950726 1224270498 /nfs/dbraw/zinc/27/04/98/1224270498.db2.gz XRLKKGRFPGANFE-QRWLVFNGSA-N 2 0 370.453 0.519 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308735 1195410036 /nfs/dbraw/zinc/41/00/36/1195410036.db2.gz JOICOPUFZYXKSI-BMGDILEWSA-N 2 0 358.442 0.926 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366517 1195466429 /nfs/dbraw/zinc/46/64/29/1195466429.db2.gz MMVTZMGDXXEZQB-ZTFGCOKTSA-N 2 0 371.441 0.469 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)C1 ZINC000904468635 1195539464 /nfs/dbraw/zinc/53/94/64/1195539464.db2.gz DAASICFNJGDYPY-INIZCTEOSA-N 2 0 366.506 0.335 20 0 FCADRP O[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C[C@]1(O)CCOC1 ZINC000905082643 1195573668 /nfs/dbraw/zinc/57/36/68/1195573668.db2.gz SGPDJQJXCJNRIK-RTBURBONSA-N 2 0 364.490 0.086 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000906649276 1195642353 /nfs/dbraw/zinc/64/23/53/1195642353.db2.gz BQLOZNFZMKZLCS-UHFFFAOYSA-N 2 0 360.458 0.655 20 0 FCADRP CCn1cc(CCN2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cn1 ZINC001083601933 1195664088 /nfs/dbraw/zinc/66/40/88/1195664088.db2.gz UZKNUQVBGRPBCN-SJORKVTESA-N 2 0 361.490 0.235 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000906853028 1195669453 /nfs/dbraw/zinc/66/94/53/1195669453.db2.gz QTCJVWRHJDVWLK-FQEVSTJZSA-N 2 0 360.502 0.233 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155830 1195681553 /nfs/dbraw/zinc/68/15/53/1195681553.db2.gz LTNQNSZZSVMSAQ-VQTJNVASSA-N 2 0 374.529 0.479 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000910831632 1195850941 /nfs/dbraw/zinc/85/09/41/1195850941.db2.gz YBTLMTWBDTYDMS-AEFFLSMTSA-N 2 0 369.469 0.591 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000911080631 1195883910 /nfs/dbraw/zinc/88/39/10/1195883910.db2.gz PHCALIYILRKXNZ-MRXNPFEDSA-N 2 0 360.458 0.001 20 0 FCADRP [NH3+]CC1(c2ccccc2)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000911073516 1195886091 /nfs/dbraw/zinc/88/60/91/1195886091.db2.gz SZNHQPBAJMXSHT-QGZVFWFLSA-N 2 0 370.497 0.858 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000911240965 1195921260 /nfs/dbraw/zinc/92/12/60/1195921260.db2.gz BTOIKIMNMIOTEJ-GDAAHCPNSA-N 2 0 370.497 0.834 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000911245769 1195922442 /nfs/dbraw/zinc/92/24/42/1195922442.db2.gz BVCDHKAQTHORSP-KRWDZBQOSA-N 2 0 358.486 0.965 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC000911359245 1195941304 /nfs/dbraw/zinc/94/13/04/1195941304.db2.gz XJWTWCAYJIBWRB-IPMKNSEASA-N 2 0 370.497 0.753 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000165226075 1196490783 /nfs/dbraw/zinc/49/07/83/1196490783.db2.gz PJSDNTGOJBESQJ-UHFFFAOYSA-N 2 0 363.506 0.910 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)C1 ZINC000592964460 1196597150 /nfs/dbraw/zinc/59/71/50/1196597150.db2.gz GVJVUWXNYSTBBA-JKSUJKDBSA-N 2 0 360.506 0.571 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592956654 1196600469 /nfs/dbraw/zinc/60/04/69/1196600469.db2.gz IJDDRLYZOULFAL-MRXNPFEDSA-N 2 0 362.522 0.723 20 0 FCADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219119553 1224361614 /nfs/dbraw/zinc/36/16/14/1224361614.db2.gz BUTKJZVIDFYTBA-UHFFFAOYSA-N 2 0 367.457 0.548 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945049 1196748485 /nfs/dbraw/zinc/74/84/85/1196748485.db2.gz JETMHOLLYDFPKF-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088898928 1196831123 /nfs/dbraw/zinc/83/11/23/1196831123.db2.gz BTHXUKWIVBUQSK-NXHRZFHOSA-N 2 0 363.506 0.555 20 0 FCADRP COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219177929 1224375969 /nfs/dbraw/zinc/37/59/69/1224375969.db2.gz CENLSOBXVBGBBW-OAHLLOKOSA-N 2 0 363.462 0.368 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000992398367 1197087280 /nfs/dbraw/zinc/08/72/80/1197087280.db2.gz BPQHHYIEODPAAS-KSZLIROESA-N 2 0 362.518 0.918 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)c1 ZINC000913757763 1197125397 /nfs/dbraw/zinc/12/53/97/1197125397.db2.gz UBLXNNSFSXWDKR-GGPKGHCWSA-N 2 0 361.486 0.767 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143181 1197298939 /nfs/dbraw/zinc/29/89/39/1197298939.db2.gz VGXOUAHXSYZBJE-KBAYOESNSA-N 2 0 364.534 0.879 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914221551 1197487533 /nfs/dbraw/zinc/48/75/33/1197487533.db2.gz YGHRMQWZHGLHGU-OAHLLOKOSA-N 2 0 369.510 0.933 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719707 1197651632 /nfs/dbraw/zinc/65/16/32/1197651632.db2.gz RXISNQHHUJUFTQ-KSZLIROESA-N 2 0 363.506 0.246 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719767 1197653040 /nfs/dbraw/zinc/65/30/40/1197653040.db2.gz UXGDKIWNCNYLBK-JQHSSLGASA-N 2 0 363.506 0.246 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033695 1197702892 /nfs/dbraw/zinc/70/28/92/1197702892.db2.gz SCLUNKYGLUOWSM-MDZRGWNJSA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc2n[nH]cc21 ZINC001219338183 1224432199 /nfs/dbraw/zinc/43/21/99/1224432199.db2.gz DWBBSJCFIMHMDA-CQSZACIVSA-N 2 0 360.418 0.038 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274353 1197744098 /nfs/dbraw/zinc/74/40/98/1197744098.db2.gz HITDELSPWBGJTD-FGTMMUONSA-N 2 0 366.506 0.792 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+]2CCC3)nc1=O ZINC001085257837 1197757349 /nfs/dbraw/zinc/75/73/49/1197757349.db2.gz BHYZKCQTKUIZKT-ZIAGYGMSSA-N 2 0 362.478 0.254 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001085275291 1197782273 /nfs/dbraw/zinc/78/22/73/1197782273.db2.gz YSMKCDIRTXCRLZ-IAGOWNOFSA-N 2 0 370.457 0.990 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1)[NH+](C)C ZINC000993077085 1197801672 /nfs/dbraw/zinc/80/16/72/1197801672.db2.gz KAWYYSCPCDQAHX-SQGPQFPESA-N 2 0 364.534 0.975 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667525 1197801764 /nfs/dbraw/zinc/80/17/64/1197801764.db2.gz HGTLRSLTSZGCAU-KSZLIROESA-N 2 0 365.522 0.271 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)[NH+](C)C ZINC001106282234 1197825641 /nfs/dbraw/zinc/82/56/41/1197825641.db2.gz ZPMCZMPYSPQWLE-RKVPGOIHSA-N 2 0 366.506 0.406 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316338 1197863386 /nfs/dbraw/zinc/86/33/86/1197863386.db2.gz QGXFBTXCLKCVBY-BRWVUGGUSA-N 2 0 371.522 0.036 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000735586688 1197864735 /nfs/dbraw/zinc/86/47/35/1197864735.db2.gz YEHIGSWCDOHCQF-UHFFFAOYSA-N 2 0 373.501 0.979 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106353955 1197875405 /nfs/dbraw/zinc/87/54/05/1197875405.db2.gz IOONCLXFWIVAPW-UNEWFSDZSA-N 2 0 360.458 0.948 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855487 1197893794 /nfs/dbraw/zinc/89/37/94/1197893794.db2.gz FKBSZSNNNJARLH-QWFCFKBJSA-N 2 0 359.470 0.603 20 0 FCADRP CCOC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c2c1OCCO2 ZINC001219372906 1224445205 /nfs/dbraw/zinc/44/52/05/1224445205.db2.gz JPVSDYJIKDJFQP-GFCCVEGCSA-N 2 0 361.398 0.382 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106412459 1197908293 /nfs/dbraw/zinc/90/82/93/1197908293.db2.gz PTFQRNDUDYSYKJ-HUUCEWRRSA-N 2 0 370.457 0.653 20 0 FCADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000915062466 1197932943 /nfs/dbraw/zinc/93/29/43/1197932943.db2.gz IGYNLCAVAGOUER-GOSISDBHSA-N 2 0 366.506 0.166 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000737239948 1197961677 /nfs/dbraw/zinc/96/16/77/1197961677.db2.gz PQYPHZOIZIGEMM-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106599819 1198029789 /nfs/dbraw/zinc/02/97/89/1198029789.db2.gz PDPZFTKYNHOBRV-HUUCEWRRSA-N 2 0 362.478 0.441 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000741076052 1198061300 /nfs/dbraw/zinc/06/13/00/1198061300.db2.gz AKFYEYIBQLKIKW-UHFFFAOYSA-N 2 0 359.478 0.902 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13CC[C@@H]1C[NH2+]C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501728 1224489059 /nfs/dbraw/zinc/48/90/59/1224489059.db2.gz XZPIHKQVRVNXDF-VMKIBOBSSA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@]13CC[NH2+]C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500835 1224489293 /nfs/dbraw/zinc/48/92/93/1224489293.db2.gz JEMDBCARRMKNTN-RQUSPXKASA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@@]1(O)CCC[NH2+]C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501924 1224489985 /nfs/dbraw/zinc/48/99/85/1224489985.db2.gz ZWEAWYTXTFMQBE-OALUTQOASA-N 2 0 374.441 0.322 20 0 FCADRP COc1cc2c(cc1NC(=O)c1cc(C[NH3+])ccn1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219507590 1224492563 /nfs/dbraw/zinc/49/25/63/1224492563.db2.gz ZRVTWSWSWFKASB-IBGZPJMESA-N 2 0 367.409 0.984 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219537342 1224503005 /nfs/dbraw/zinc/50/30/05/1224503005.db2.gz LIJPSKTUONETKF-DYWXZXKOSA-N 2 0 370.453 0.816 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000746257739 1198977149 /nfs/dbraw/zinc/97/71/49/1198977149.db2.gz GCRRROBKPUWTDP-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)n2)c1 ZINC001168887973 1199039691 /nfs/dbraw/zinc/03/96/91/1199039691.db2.gz QNFNUVAUIPATAY-UHFFFAOYSA-N 2 0 363.425 0.833 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133751 1199047308 /nfs/dbraw/zinc/04/73/08/1199047308.db2.gz JPRWXELMIDAUER-XFKSJGNHSA-N 2 0 364.534 0.772 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337436 1199078979 /nfs/dbraw/zinc/07/89/79/1199078979.db2.gz HOFPRPGRSVZUOH-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337435 1199079538 /nfs/dbraw/zinc/07/95/38/1199079538.db2.gz HOFPRPGRSVZUOH-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369805 1199130957 /nfs/dbraw/zinc/13/09/57/1199130957.db2.gz HJLKGICHTHXNLD-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001219618226 1224530106 /nfs/dbraw/zinc/53/01/06/1224530106.db2.gz ZMOJCNFVIJSORF-RIFZZMRRSA-N 2 0 361.461 0.974 20 0 FCADRP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219669351 1224551103 /nfs/dbraw/zinc/55/11/03/1224551103.db2.gz VKQGVBPGYKADGL-IBGZPJMESA-N 3 0 356.514 0.866 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]C[C@H]1O ZINC001219726975 1224579642 /nfs/dbraw/zinc/57/96/42/1224579642.db2.gz TTZSLCUABTWABX-CEXWTWQISA-N 3 0 372.513 0.185 20 0 FCADRP [NH3+]CCNCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728578 1224580831 /nfs/dbraw/zinc/58/08/31/1224580831.db2.gz BEGMSMGZNAXSLE-SFHVURJKSA-N 3 0 359.518 0.153 20 0 FCADRP COc1ccc(C2(C(=O)NC[C@@H]3CC4(C[NH2+]C4)CO3)CC[NH2+]CC2)cc1 ZINC001219739110 1224585819 /nfs/dbraw/zinc/58/58/19/1224585819.db2.gz HLXOEMCCUWVSRI-KRWDZBQOSA-N 2 0 359.470 0.811 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219737371 1224585829 /nfs/dbraw/zinc/58/58/29/1224585829.db2.gz UONYKXSGWCJGCO-WMLDXEAASA-N 2 0 357.454 0.831 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219749193 1224592436 /nfs/dbraw/zinc/59/24/36/1224592436.db2.gz JSIJQQTVMWBLKX-JKSUJKDBSA-N 2 0 354.458 0.923 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749681 1224594224 /nfs/dbraw/zinc/59/42/24/1224594224.db2.gz PWNJZXODPRJKKG-KRWDZBQOSA-N 2 0 356.430 0.283 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1cccc(N2CC[NH2+]CC2)c1 ZINC001219751597 1224595842 /nfs/dbraw/zinc/59/58/42/1224595842.db2.gz ULTUCRUJYGZLHB-UHFFFAOYSA-N 2 0 355.446 0.111 20 0 FCADRP COc1ccc(C2(C(=O)NC[C@H]3C[C@H]4CNCC[N@@H+]4C3)CC[NH2+]CC2)cc1 ZINC001219766361 1224601950 /nfs/dbraw/zinc/60/19/50/1224601950.db2.gz RAMFIJWMSUHBME-AEFFLSMTSA-N 2 0 372.513 0.726 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219790745 1224613350 /nfs/dbraw/zinc/61/33/50/1224613350.db2.gz KROSBORZSXZTBF-NEWSRXKRSA-N 2 0 359.518 0.930 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109719866 1200486701 /nfs/dbraw/zinc/48/67/01/1200486701.db2.gz PCKJIQRTFCMEAR-PASDCYSWSA-N 2 0 371.497 0.929 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219795684 1224615989 /nfs/dbraw/zinc/61/59/89/1224615989.db2.gz DQOFXNIIWAMQKY-IBGZPJMESA-N 3 0 363.550 0.393 20 0 FCADRP Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847799 1200560563 /nfs/dbraw/zinc/56/05/63/1200560563.db2.gz HYMBMVIHNCNEHO-RYRKJORJSA-N 2 0 359.474 0.729 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006929 1200698819 /nfs/dbraw/zinc/69/88/19/1200698819.db2.gz AERFARSHGUNZRG-BDXSIMOUSA-N 2 0 371.522 0.464 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2)C(=O)N(C)C ZINC001112564266 1200797218 /nfs/dbraw/zinc/79/72/18/1200797218.db2.gz LMVUNKWMONNETM-GUXCAODWSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2)C(=O)N(C)C ZINC001112564265 1200797395 /nfs/dbraw/zinc/79/73/95/1200797395.db2.gz LMVUNKWMONNETM-FTRWYGJKSA-N 2 0 362.518 0.777 20 0 FCADRP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001112578188 1200816676 /nfs/dbraw/zinc/81/66/76/1200816676.db2.gz CFWAHTBLOAYBLU-FTRWYGJKSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112586248 1200822722 /nfs/dbraw/zinc/82/27/22/1200822722.db2.gz PEGHHGTZKGMJGD-VKJFTORMSA-N 2 0 363.510 0.830 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129393537 1200926925 /nfs/dbraw/zinc/92/69/25/1200926925.db2.gz NYQNBRFESWJZSX-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831818 1224643567 /nfs/dbraw/zinc/64/35/67/1224643567.db2.gz ZCQRJQVXAPUCND-ZRSRNVLSSA-N 2 0 359.470 0.817 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)N2CCC([NH3+])CC2)cc1 ZINC001219831761 1224643979 /nfs/dbraw/zinc/64/39/79/1224643979.db2.gz XHPWOKZOZTYPLL-RSPOEFSDSA-N 2 0 372.513 0.952 20 0 FCADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837761 1224647352 /nfs/dbraw/zinc/64/73/52/1224647352.db2.gz LQXDJKXNVRCAIT-WSTZPKSXSA-N 2 0 361.486 0.848 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219848313 1224652478 /nfs/dbraw/zinc/65/24/78/1224652478.db2.gz WQGIRZMZZRKWNB-MVSUVFOUSA-N 2 0 356.470 0.348 20 0 FCADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219856380 1224656220 /nfs/dbraw/zinc/65/62/20/1224656220.db2.gz KPEPULYHUIOBAA-ZWQIFLOQSA-N 2 0 369.469 0.217 20 0 FCADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219856506 1224656228 /nfs/dbraw/zinc/65/62/28/1224656228.db2.gz PGPANJVYWFMION-IXDOHACOSA-N 2 0 355.442 0.066 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)O1 ZINC001170276622 1201204470 /nfs/dbraw/zinc/20/44/70/1201204470.db2.gz GFJAVRHRMAMKRC-MLHJIOFPSA-N 2 0 374.485 0.974 20 0 FCADRP CN(C(=O)C(=O)Nc1cccc(F)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793046325 1201223233 /nfs/dbraw/zinc/22/32/33/1201223233.db2.gz HTNMHLOGSWDVBF-AWEZNQCLSA-N 2 0 363.437 0.786 20 0 FCADRP Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129412263 1201300059 /nfs/dbraw/zinc/30/00/59/1201300059.db2.gz OLZJDXVLCVBHFM-SJORKVTESA-N 2 0 357.462 0.786 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400422 1201307094 /nfs/dbraw/zinc/30/70/94/1201307094.db2.gz NPQCBDNCOZGGGJ-BBWFWOEESA-N 2 0 366.510 0.777 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453978 1201312306 /nfs/dbraw/zinc/31/23/06/1201312306.db2.gz SLGMTKPBNUSNFP-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001219877904 1224667851 /nfs/dbraw/zinc/66/78/51/1224667851.db2.gz URWOMCKACUEURF-SJORKVTESA-N 2 0 369.506 0.075 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129684279 1201370087 /nfs/dbraw/zinc/37/00/87/1201370087.db2.gz HBDCWMHNLNALFV-ZACQAIPSSA-N 2 0 362.478 0.283 20 0 FCADRP O=C([C@@H]1CCc2nccn2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917089 1201426913 /nfs/dbraw/zinc/42/69/13/1201426913.db2.gz LDCSFTHVQUGLBQ-KFWWJZLASA-N 2 0 361.425 0.438 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925254 1201444425 /nfs/dbraw/zinc/44/44/25/1201444425.db2.gz WULBYSOTGGOOGM-OAGGEKHMSA-N 2 0 362.478 0.283 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130081508 1201492881 /nfs/dbraw/zinc/49/28/81/1201492881.db2.gz RWEKVAYAAWFYTO-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130096809 1201499130 /nfs/dbraw/zinc/49/91/30/1201499130.db2.gz RQZJWRYYUHFHHZ-MSOLQXFVSA-N 2 0 371.489 0.947 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107667 1201502832 /nfs/dbraw/zinc/50/28/32/1201502832.db2.gz UTZPWJIPDRJHPB-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125647 1201507014 /nfs/dbraw/zinc/50/70/14/1201507014.db2.gz YLYOSSRYZLUNBA-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130215957 1201547112 /nfs/dbraw/zinc/54/71/12/1201547112.db2.gz JSONXIGQCIIOLS-ILXRZTDVSA-N 2 0 364.494 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130242169 1201562757 /nfs/dbraw/zinc/56/27/57/1201562757.db2.gz JXWOXYDFIVIVHQ-GJZGRUSLSA-N 2 0 366.510 0.881 20 0 FCADRP C[C@@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130298935 1201580189 /nfs/dbraw/zinc/58/01/89/1201580189.db2.gz NFYXZIJOVTXYQV-OGWOLHLISA-N 2 0 368.522 0.184 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219941330 1224692688 /nfs/dbraw/zinc/69/26/88/1224692688.db2.gz VKBMXJSRJFGJAL-ROUUACIJSA-N 2 0 358.486 0.345 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940908 1224692706 /nfs/dbraw/zinc/69/27/06/1224692706.db2.gz IDBRGILUCGKQKH-AZUAARDMSA-N 3 0 373.545 0.765 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCc2cccc(C[NH+](C)C)c2)COC1(C)C ZINC001219943405 1224693508 /nfs/dbraw/zinc/69/35/08/1224693508.db2.gz HTSYMDSFLZMUBJ-BBRMVZONSA-N 2 0 362.474 0.675 20 0 FCADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001219954383 1224698505 /nfs/dbraw/zinc/69/85/05/1224698505.db2.gz HTDZPSWAZPWISD-IRXDYDNUSA-N 3 0 367.538 0.424 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]3CCCN3C(=O)C[NH3+])c2)CC1 ZINC001219960960 1224702591 /nfs/dbraw/zinc/70/25/91/1224702591.db2.gz CSWNWTKPAOMMRN-KRWDZBQOSA-N 2 0 359.474 0.004 20 0 FCADRP COC(=O)[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974619 1224709498 /nfs/dbraw/zinc/70/94/98/1224709498.db2.gz BFPYUQNIHLOHAB-JKSUJKDBSA-N 2 0 361.442 0.900 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c2ccccc12 ZINC001220046744 1224737050 /nfs/dbraw/zinc/73/70/50/1224737050.db2.gz BVHGDZMFPYNERB-YOEHRIQHSA-N 2 0 372.473 0.626 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209784 1202714294 /nfs/dbraw/zinc/71/42/94/1202714294.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 2 0 367.538 0.118 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596598 1202728049 /nfs/dbraw/zinc/72/80/49/1202728049.db2.gz LQOAQOSEBQLLGC-SOLBZPMBSA-N 2 0 361.490 0.292 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130678357 1202750285 /nfs/dbraw/zinc/75/02/85/1202750285.db2.gz WRHGCWAZPTXDLD-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001130670272 1202751806 /nfs/dbraw/zinc/75/18/06/1202751806.db2.gz UJLDFGMWOOAQCH-FUHWJXTLSA-N 2 0 356.474 0.851 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130713021 1202760240 /nfs/dbraw/zinc/76/02/40/1202760240.db2.gz YYTPLMANAUXVRE-HLLBOEOZSA-N 2 0 361.490 0.435 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000806813748 1202777073 /nfs/dbraw/zinc/77/70/73/1202777073.db2.gz ANQDYACOKKKXLM-SOLBZPMBSA-N 2 0 368.522 0.726 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](F)C[NH+](CC)CC)n2)O1 ZINC001130785264 1202788753 /nfs/dbraw/zinc/78/87/53/1202788753.db2.gz IKEGHKXOFPEMPI-MELADBBJSA-N 2 0 370.473 0.930 20 0 FCADRP C[NH+](C)C1(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CCC1 ZINC001130790001 1202798040 /nfs/dbraw/zinc/79/80/40/1202798040.db2.gz CJDHVUKKQKAZMK-QWHCGFSZSA-N 2 0 368.457 0.684 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817580 1202808670 /nfs/dbraw/zinc/80/86/70/1202808670.db2.gz UJCLCRQNLZWMOS-QLFBSQMISA-N 2 0 364.494 0.838 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCO ZINC001130994404 1202838538 /nfs/dbraw/zinc/83/85/38/1202838538.db2.gz YRJLDQMKVKZRPN-GVDBMIGSSA-N 2 0 361.490 0.028 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003981 1202841270 /nfs/dbraw/zinc/84/12/70/1202841270.db2.gz VUUWORNPIHFGAC-ZACQAIPSSA-N 2 0 363.506 0.825 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131010134 1202844292 /nfs/dbraw/zinc/84/42/92/1202844292.db2.gz BRXSMHRKECWAPR-NUJGCVRESA-N 2 0 365.522 0.927 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010577 1202844421 /nfs/dbraw/zinc/84/44/21/1202844421.db2.gz SKJZXVMBVAWIOP-HZPDHXFCSA-N 2 0 363.506 0.825 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131010625 1202844469 /nfs/dbraw/zinc/84/44/69/1202844469.db2.gz VOWIPRALWADAAE-NUJGCVRESA-N 2 0 365.522 0.927 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055654 1202854903 /nfs/dbraw/zinc/85/49/03/1202854903.db2.gz GPJIBAVZGNLFEC-BZUAXINKSA-N 2 0 363.506 0.681 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070497 1202856657 /nfs/dbraw/zinc/85/66/57/1202856657.db2.gz YPBSCYWSFNKEKY-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)C(C)C ZINC001131092036 1202861447 /nfs/dbraw/zinc/86/14/47/1202861447.db2.gz XWVYSLUCOQTIHD-JFIYKMOQSA-N 2 0 365.522 0.663 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131097032 1202862478 /nfs/dbraw/zinc/86/24/78/1202862478.db2.gz WXOCLXOTIGPNDL-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108339 1202864023 /nfs/dbraw/zinc/86/40/23/1202864023.db2.gz QJFVKEUEDJTWES-ARFHVFGLSA-N 2 0 361.490 0.435 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131130537 1202869175 /nfs/dbraw/zinc/86/91/75/1202869175.db2.gz RKVTVIFWAYMYTM-GVDBMIGSSA-N 2 0 365.522 0.805 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131464476 1202899974 /nfs/dbraw/zinc/89/99/74/1202899974.db2.gz SKPXDHVSYKMOKV-NUJGCVRESA-N 2 0 366.506 0.155 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131496080 1202903578 /nfs/dbraw/zinc/90/35/78/1202903578.db2.gz NXGXXWMYTCEJPR-QRVBRYPASA-N 2 0 365.518 0.696 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001131496254 1202903657 /nfs/dbraw/zinc/90/36/57/1202903657.db2.gz TWYAIXGTNWTWDK-OTWHNJEPSA-N 2 0 365.518 0.960 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131522436 1202910935 /nfs/dbraw/zinc/91/09/35/1202910935.db2.gz HMMHDENGFJNKIP-WBVHZDCISA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131555784 1202913362 /nfs/dbraw/zinc/91/33/62/1202913362.db2.gz WYVOEJJJLJGDJN-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP Cn1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001131564567 1202914912 /nfs/dbraw/zinc/91/49/12/1202914912.db2.gz PCPGCZBXQHYGRB-MJGOQNOKSA-N 2 0 363.506 0.858 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131582901 1202918130 /nfs/dbraw/zinc/91/81/30/1202918130.db2.gz FHGABEXIYYPHCJ-SCTDSRPQSA-N 2 0 371.522 0.321 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604774 1202918542 /nfs/dbraw/zinc/91/85/42/1202918542.db2.gz GLMTWJWCAAHXCO-SCTDSRPQSA-N 2 0 369.506 0.075 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131604826 1202918736 /nfs/dbraw/zinc/91/87/36/1202918736.db2.gz IYOHEHPOOJDDOY-NUJGCVRESA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131609020 1202920643 /nfs/dbraw/zinc/92/06/43/1202920643.db2.gz VTVFNPIUJVPQBJ-APWZRJJASA-N 2 0 368.522 0.401 20 0 FCADRP O=C(c1cncc(N[C@H]2C[NH2+]C[C@H]2CO)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001170784477 1203036859 /nfs/dbraw/zinc/03/68/59/1203036859.db2.gz ULWYFXXOOINTMT-LPHOPBHVSA-N 2 0 373.501 0.774 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC001086785403 1203091126 /nfs/dbraw/zinc/09/11/26/1203091126.db2.gz XVZJVHZLHZJYEQ-LZLYRXPVSA-N 2 0 363.506 0.904 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001086784972 1203092640 /nfs/dbraw/zinc/09/26/40/1203092640.db2.gz DFAPCXGVOJVWIT-LZLYRXPVSA-N 2 0 363.506 0.904 20 0 FCADRP C[C@H](CCCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170869778 1203106225 /nfs/dbraw/zinc/10/62/25/1203106225.db2.gz APYNNCHLEHFCTI-BZUAXINKSA-N 2 0 366.506 0.740 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000817988641 1203130461 /nfs/dbraw/zinc/13/04/61/1203130461.db2.gz PZIGWQANAAUFHW-OKZBNKHCSA-N 2 0 358.486 0.929 20 0 FCADRP [NH3+]C1(CNC(=O)CCN2CCOC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000818014603 1203133641 /nfs/dbraw/zinc/13/36/41/1203133641.db2.gz XVFPHPPEZUAKSV-UHFFFAOYSA-N 2 0 360.458 0.938 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000818539896 1203139400 /nfs/dbraw/zinc/13/94/00/1203139400.db2.gz XDYKWTXJJCFWNY-HNNXBMFYSA-N 2 0 372.429 0.788 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)nn1 ZINC000818539897 1203139658 /nfs/dbraw/zinc/13/96/58/1203139658.db2.gz XDYKWTXJJCFWNY-OAHLLOKOSA-N 2 0 372.429 0.788 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@H]1C ZINC001090719723 1203269506 /nfs/dbraw/zinc/26/95/06/1203269506.db2.gz KBHAMHWLGSZMAV-RHSMWYFYSA-N 2 0 360.506 0.746 20 0 FCADRP C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001090842349 1203312307 /nfs/dbraw/zinc/31/23/07/1203312307.db2.gz NKMZZHWCVVHDEX-IUODEOHRSA-N 2 0 357.462 0.789 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220237792 1224812333 /nfs/dbraw/zinc/81/23/33/1224812333.db2.gz FQUXWUZZWORKKQ-MSOLQXFVSA-N 2 0 361.486 0.667 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220237493 1224812531 /nfs/dbraw/zinc/81/25/31/1224812531.db2.gz YUXAFZCBKABYAF-MOPGFXCFSA-N 2 0 371.485 0.875 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001220290054 1224821524 /nfs/dbraw/zinc/82/15/24/1224821524.db2.gz LTFULRJQNIVGCT-IXDOHACOSA-N 2 0 366.510 0.196 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccco2)CC1 ZINC001220316641 1224826856 /nfs/dbraw/zinc/82/68/56/1224826856.db2.gz RYWLDMVURDWQQU-IEZWGBDMSA-N 2 0 362.474 0.771 20 0 FCADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220356934 1224841369 /nfs/dbraw/zinc/84/13/69/1224841369.db2.gz GLBICNKLGUHPJM-MWDXBVQZSA-N 2 0 361.442 0.536 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358668 1224841921 /nfs/dbraw/zinc/84/19/21/1224841921.db2.gz WBRSVJMGMSSQKY-VVLHAWIVSA-N 2 0 360.458 0.251 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357334 1224842247 /nfs/dbraw/zinc/84/22/47/1224842247.db2.gz KJHBANJKHOPUMZ-TWMKSMIVSA-N 2 0 361.442 0.285 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358039 1224842456 /nfs/dbraw/zinc/84/24/56/1224842456.db2.gz OKRRSECYPWCEEP-RCCFBDPRSA-N 2 0 374.485 0.465 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543183 1204708004 /nfs/dbraw/zinc/70/80/04/1204708004.db2.gz FBYNEOZZPHFKJO-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543181 1204708309 /nfs/dbraw/zinc/70/83/09/1204708309.db2.gz DYQPSZRFTUMXBQ-GJYPPUQNSA-N 2 0 360.506 0.981 20 0 FCADRP COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001146395025 1204720469 /nfs/dbraw/zinc/72/04/69/1204720469.db2.gz VUFGFSJWVXIBPA-NSHDSACASA-N 2 0 373.454 0.294 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741099 1204838108 /nfs/dbraw/zinc/83/81/08/1204838108.db2.gz ZXJKFKUILDLSNE-SXGZJXTBSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844352 /nfs/dbraw/zinc/84/43/52/1204844352.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 0 371.485 0.916 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001086875601 1204859049 /nfs/dbraw/zinc/85/90/49/1204859049.db2.gz YLOHIQMKVKUNLT-SOUVJXGZSA-N 2 0 363.458 0.975 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087004464 1204892126 /nfs/dbraw/zinc/89/21/26/1204892126.db2.gz ZMUCUJGJUFHFLD-ZWKOTPCHSA-N 2 0 363.506 0.823 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087009558 1204896985 /nfs/dbraw/zinc/89/69/85/1204896985.db2.gz MHNYVCSGBWOBST-RYQLBKOJSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001087011188 1204898264 /nfs/dbraw/zinc/89/82/64/1204898264.db2.gz JFZGBTHHORVGLZ-RBUKOAKNSA-N 2 0 371.485 0.672 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087055328 1204935791 /nfs/dbraw/zinc/93/57/91/1204935791.db2.gz HBOYCQKTUZCRAN-MUIFIZLQSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087055231 1204935991 /nfs/dbraw/zinc/93/59/91/1204935991.db2.gz AQXCGAHLWKFPIP-VDHUWJSZSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087059536 1204944165 /nfs/dbraw/zinc/94/41/65/1204944165.db2.gz KQVYCLDLDRKECJ-HZPDHXFCSA-N 2 0 361.490 0.914 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087059520 1204944621 /nfs/dbraw/zinc/94/46/21/1204944621.db2.gz JZKWXGCOBARTGA-CRAIPNDOSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059739 1204944703 /nfs/dbraw/zinc/94/47/03/1204944703.db2.gz SORLDKAXLXPGDD-CRAIPNDOSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087064973 1204953025 /nfs/dbraw/zinc/95/30/25/1204953025.db2.gz COTOOUOTMZFMMY-RHSMWYFYSA-N 2 0 370.413 0.984 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087077457 1204965710 /nfs/dbraw/zinc/96/57/10/1204965710.db2.gz YBEDUVLUEXEJIT-LJIGWXMPSA-N 2 0 365.478 0.753 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087084844 1204973957 /nfs/dbraw/zinc/97/39/57/1204973957.db2.gz VOEVPBJZHPXZHO-VNQPRFMTSA-N 2 0 368.478 0.977 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087093286 1204984533 /nfs/dbraw/zinc/98/45/33/1204984533.db2.gz BYHLNZLKMFJSES-BRWVUGGUSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087093257 1204984673 /nfs/dbraw/zinc/98/46/73/1204984673.db2.gz ANOVOKCZGYMWIJ-NVXWUHKLSA-N 2 0 365.478 0.755 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087079144 1204989490 /nfs/dbraw/zinc/98/94/90/1204989490.db2.gz ALUCAUHBSWWFKH-SJLPKXTDSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087079625 1204991791 /nfs/dbraw/zinc/99/17/91/1204991791.db2.gz YZVPSTUWWFUUFR-IAGOWNOFSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087100910 1204996783 /nfs/dbraw/zinc/99/67/83/1204996783.db2.gz KQAQISGVEIJQOD-KZNAEPCWSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087100432 1204998814 /nfs/dbraw/zinc/99/88/14/1204998814.db2.gz SGJBRQTYORRPTO-BRWVUGGUSA-N 2 0 361.490 0.690 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786292 1205012259 /nfs/dbraw/zinc/01/22/59/1205012259.db2.gz ABDOSMFPQGEAJM-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001091777213 1205024694 /nfs/dbraw/zinc/02/46/94/1205024694.db2.gz SCERAAGXGZXUDR-MDZRGWNJSA-N 2 0 360.502 0.531 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091845286 1205035426 /nfs/dbraw/zinc/03/54/26/1205035426.db2.gz RSBYMZCPMCIWQX-KSMMKXTCSA-N 2 0 368.441 0.535 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818405 1205041387 /nfs/dbraw/zinc/04/13/87/1205041387.db2.gz FSORONMGPKSUPJ-FCEWJHQRSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823403 1205043422 /nfs/dbraw/zinc/04/34/22/1205043422.db2.gz ATJBCFNYUUPCPX-OGWOLHLISA-N 2 0 355.442 0.992 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975004 1205105594 /nfs/dbraw/zinc/10/55/94/1205105594.db2.gz BJZOABONXAJVHK-HLIPFELVSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001092071571 1205135197 /nfs/dbraw/zinc/13/51/97/1205135197.db2.gz BHUCXBAWUICJDO-UWVAXJGDSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)cc1=O ZINC001092203868 1205197981 /nfs/dbraw/zinc/19/79/81/1205197981.db2.gz ZXYAQCIXFBJRAK-XLIONFOSSA-N 2 0 370.497 0.761 20 0 FCADRP COc1ccccc1C1(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCOCC1 ZINC001220445887 1224875493 /nfs/dbraw/zinc/87/54/93/1224875493.db2.gz XYGDFKIJMPAIEP-INIZCTEOSA-N 2 0 359.470 0.669 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)C[C@@H](O)C[NH3+])nc3ccc(C)cc3n12 ZINC001220456270 1224878151 /nfs/dbraw/zinc/87/81/51/1224878151.db2.gz JCCATRHLAITNJD-CYBMUJFWSA-N 2 0 356.430 0.501 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]([NH3+])CCC[NH3+])nc3ccc(C)cc3n12 ZINC001220456380 1224879402 /nfs/dbraw/zinc/87/94/02/1224879402.db2.gz MTPQWMQTIVHYKH-AWEZNQCLSA-N 3 0 369.473 0.857 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460800 1224881171 /nfs/dbraw/zinc/88/11/71/1224881171.db2.gz ZFGDCXUCUIXYEI-INIZCTEOSA-N 3 0 362.478 0.467 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1([NH3+])CCCC1 ZINC001220496478 1224892030 /nfs/dbraw/zinc/89/20/30/1224892030.db2.gz DMDBWGGZWMDCOE-INIZCTEOSA-N 2 0 357.458 0.542 20 0 FCADRP CC(C)(C)C(=O)N1CCC(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220494272 1224892269 /nfs/dbraw/zinc/89/22/69/1224892269.db2.gz IKPKVVWGNBTCIT-MRXNPFEDSA-N 2 0 367.538 0.138 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502031 1224894887 /nfs/dbraw/zinc/89/48/87/1224894887.db2.gz XRHPKOLWWRHFQL-LSDHHAIUSA-N 2 0 356.430 0.130 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccc(N3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC001220525755 1224906409 /nfs/dbraw/zinc/90/64/09/1224906409.db2.gz RIDJNPOMUSPWEZ-UHFFFAOYSA-N 2 0 358.442 0.637 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911020 1205940424 /nfs/dbraw/zinc/94/04/24/1205940424.db2.gz NPXUZBLCVUGNBG-KURKYZTESA-N 2 0 363.506 0.676 20 0 FCADRP COc1coc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)cc1=O ZINC001093194857 1206053402 /nfs/dbraw/zinc/05/34/02/1206053402.db2.gz DPGTXUADHREIRD-QLFBSQMISA-N 2 0 363.458 0.784 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465515 1206084537 /nfs/dbraw/zinc/08/45/37/1206084537.db2.gz KBRDIMVBKJQLEJ-QQTQMKHKSA-N 2 0 367.534 0.677 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093673257 1206099863 /nfs/dbraw/zinc/09/98/63/1206099863.db2.gz NONSOSWNGQVVPE-RBSFLKMASA-N 2 0 365.478 0.537 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093768024 1206112449 /nfs/dbraw/zinc/11/24/49/1206112449.db2.gz JDBMZCPMPGSQDP-KFWWJZLASA-N 2 0 364.494 0.165 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001093823966 1206123865 /nfs/dbraw/zinc/12/38/65/1206123865.db2.gz ASTYRQNQTQVTSE-UNEWFSDZSA-N 2 0 363.510 0.607 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001093824359 1206123912 /nfs/dbraw/zinc/12/39/12/1206123912.db2.gz RFFUMFLBUGACEP-MRRJBJDNSA-N 2 0 365.478 0.740 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093824518 1206124121 /nfs/dbraw/zinc/12/41/21/1206124121.db2.gz ZEKFEEBSNTUSQD-MRRJBJDNSA-N 2 0 361.494 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093857313 1206146004 /nfs/dbraw/zinc/14/60/04/1206146004.db2.gz ZKCQGHORPCDHIA-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093919997 1206149701 /nfs/dbraw/zinc/14/97/01/1206149701.db2.gz QMPJZZAXRJIJEO-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093998054 1206166986 /nfs/dbraw/zinc/16/69/86/1206166986.db2.gz IMPKTEYOCLLNGA-FVQBIDKESA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094010510 1206169511 /nfs/dbraw/zinc/16/95/11/1206169511.db2.gz FKYXQTVBLRQVLQ-UKRRQHHQSA-N 2 0 364.494 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001094013668 1206169708 /nfs/dbraw/zinc/16/97/08/1206169708.db2.gz GPONDJQMLYCODZ-SOLBZPMBSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001094041188 1206174301 /nfs/dbraw/zinc/17/43/01/1206174301.db2.gz ZJIRHOJHVYGFSF-BZUAXINKSA-N 2 0 366.485 0.916 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001094164946 1206197415 /nfs/dbraw/zinc/19/74/15/1206197415.db2.gz GWBKMCZBKFKOSS-QLFBSQMISA-N 2 0 365.478 0.742 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094219874 1206203097 /nfs/dbraw/zinc/20/30/97/1206203097.db2.gz VDSSPTCCPHKIGP-ZTFGCOKTSA-N 2 0 358.486 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094220919 1206203198 /nfs/dbraw/zinc/20/31/98/1206203198.db2.gz DOKMOOIACBSJJE-HUUCEWRRSA-N 2 0 363.510 0.708 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094240963 1206209759 /nfs/dbraw/zinc/20/97/59/1206209759.db2.gz ILJZRGMNRXRWLP-BZUAXINKSA-N 2 0 364.490 0.352 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC001094224673 1206211466 /nfs/dbraw/zinc/21/14/66/1206211466.db2.gz XGKIODSLLWPXCF-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417354 1206224143 /nfs/dbraw/zinc/22/41/43/1206224143.db2.gz WDJORIVDWIEDDE-SZVBFZGTSA-N 2 0 363.506 0.800 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001094433113 1206225303 /nfs/dbraw/zinc/22/53/03/1206225303.db2.gz RBXMTGFFAAWVKA-QWFCFKBJSA-N 2 0 365.518 0.983 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495359 1206232435 /nfs/dbraw/zinc/23/24/35/1206232435.db2.gz KFRBMJSDJYQVIM-GPMSIDNRSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCO)CC3)cn1 ZINC001094532517 1206237101 /nfs/dbraw/zinc/23/71/01/1206237101.db2.gz YRGCMSVMZUHBIQ-IEBWSBKVSA-N 2 0 363.506 0.802 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@@H]45)n3)cc2)CC1 ZINC001212629054 1206252731 /nfs/dbraw/zinc/25/27/31/1206252731.db2.gz HVCCXSYOPSIOES-HUUCEWRRSA-N 2 0 354.414 0.811 20 0 FCADRP CN1CCN(c2cc(NC(=O)c3cc4n(n3)CCCN(C)C4)ncn2)CC1 ZINC001175035527 1206298693 /nfs/dbraw/zinc/29/86/93/1206298693.db2.gz IPJBWWVXYHINON-UHFFFAOYSA-N 2 0 370.461 0.513 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220582945 1224948059 /nfs/dbraw/zinc/94/80/59/1224948059.db2.gz LYNFLTCKSFGRQD-OTWHNJEPSA-N 2 0 363.502 0.483 20 0 FCADRP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C ZINC001179191485 1206378215 /nfs/dbraw/zinc/37/82/15/1206378215.db2.gz UHIRYHQKEMVNTQ-MHORFTMASA-N 2 0 369.506 0.482 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001181508415 1206410280 /nfs/dbraw/zinc/41/02/80/1206410280.db2.gz XDTPHZIEEBMDLT-MXHNKVEKSA-N 2 0 364.534 0.927 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181573062 1206411356 /nfs/dbraw/zinc/41/13/56/1206411356.db2.gz UQMSEQUCKWECJS-MRXNPFEDSA-N 2 0 359.474 0.751 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC1 ZINC001182031100 1206419053 /nfs/dbraw/zinc/41/90/53/1206419053.db2.gz LUVNBZFRDTWVFB-JZXOWHBKSA-N 2 0 374.485 0.638 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001182032259 1206419240 /nfs/dbraw/zinc/41/92/40/1206419240.db2.gz SYMYQYKZRCBLRF-QZTJIDSGSA-N 2 0 374.485 0.340 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001182684731 1206442345 /nfs/dbraw/zinc/44/23/45/1206442345.db2.gz VNTZDLIYVYGARE-BFYDXBDKSA-N 2 0 362.474 0.769 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccc(N)nc3)CC[C@@H]2C1 ZINC001183933295 1206462054 /nfs/dbraw/zinc/46/20/54/1206462054.db2.gz KUSDQBHTACONMG-IAGOWNOFSA-N 2 0 362.474 0.792 20 0 FCADRP C[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2)[NH+]1CCCC1 ZINC001273504563 1206481232 /nfs/dbraw/zinc/48/12/32/1206481232.db2.gz XUOKLEOVEPETLE-WBVHZDCISA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273512230 1206489608 /nfs/dbraw/zinc/48/96/08/1206489608.db2.gz RHXNHIHKKLIKIL-BDXSIMOUSA-N 2 0 360.502 0.624 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001220648980 1224987989 /nfs/dbraw/zinc/98/79/89/1224987989.db2.gz PQVYILPLBDKTOM-INIZCTEOSA-N 2 0 354.458 0.329 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220651309 1224990098 /nfs/dbraw/zinc/99/00/98/1224990098.db2.gz JLLYYXQAELKKFG-QGZVFWFLSA-N 3 0 357.502 0.587 20 0 FCADRP Cc1cnc2cc(C(=O)N3CC[C@H]4C[N@H+](CCOCCO)C[C@H]43)ccn12 ZINC001187924606 1207400992 /nfs/dbraw/zinc/40/09/92/1207400992.db2.gz AJCHUMXNUXFUBI-DLBZAZTESA-N 2 0 358.442 0.798 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212806 1207435142 /nfs/dbraw/zinc/43/51/42/1207435142.db2.gz PCEUTGZVMASSSZ-DOTOQJQBSA-N 2 0 365.522 0.711 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405930 1207454151 /nfs/dbraw/zinc/45/41/51/1207454151.db2.gz VNKGYIUPZSBGGA-HLLBOEOZSA-N 2 0 359.474 0.575 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)CC[NH+](C)C)[C@@H]4C3)ccc21 ZINC001189035413 1207497222 /nfs/dbraw/zinc/49/72/22/1207497222.db2.gz YCZXSVBFCMRHEL-MAUKXSAKSA-N 2 0 356.474 0.953 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001189061207 1207498881 /nfs/dbraw/zinc/49/88/81/1207498881.db2.gz BJGDLDIZVOKTEM-XYJFISCASA-N 2 0 369.506 0.027 20 0 FCADRP CCC[C@@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801789 1207609817 /nfs/dbraw/zinc/60/98/17/1207609817.db2.gz MZEPGDXZWHJZHG-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]21 ZINC001189801299 1207610408 /nfs/dbraw/zinc/61/04/08/1207610408.db2.gz CKWRGMLQSHEKIB-RBUKOAKNSA-N 2 0 361.486 0.790 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001190248251 1207668015 /nfs/dbraw/zinc/66/80/15/1207668015.db2.gz ZKMRYIDCCBBMNC-FGTMMUONSA-N 2 0 368.522 0.402 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc2)CC1 ZINC001190857764 1207732078 /nfs/dbraw/zinc/73/20/78/1207732078.db2.gz NZQWCPGVSDPGMS-UHFFFAOYSA-N 3 0 360.506 0.899 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C[C@H](O)c3ccccc3F)C[C@H]2O)CCC1 ZINC001193774098 1207887676 /nfs/dbraw/zinc/88/76/76/1207887676.db2.gz HJPNTIWNQVIMIC-IXDOHACOSA-N 2 0 365.449 0.505 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O)[NH+](C)C ZINC001194095632 1207917447 /nfs/dbraw/zinc/91/74/47/1207917447.db2.gz JMKZVOLCKGKJDS-RBSFLKMASA-N 2 0 363.462 0.061 20 0 FCADRP CC(C)(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831424 1207978199 /nfs/dbraw/zinc/97/81/99/1207978199.db2.gz CZBCCVNERCPXIO-ARLDDLHVSA-N 2 0 365.518 0.837 20 0 FCADRP CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194987708 1207986270 /nfs/dbraw/zinc/98/62/70/1207986270.db2.gz BJEPIWSQAZNAPT-IAGOWNOFSA-N 2 0 368.522 0.327 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001195677582 1208032808 /nfs/dbraw/zinc/03/28/08/1208032808.db2.gz UAUCCBRZRZCNHN-KURKYZTESA-N 2 0 361.486 0.877 20 0 FCADRP COc1cccc(OCCN2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195701699 1208036298 /nfs/dbraw/zinc/03/62/98/1208036298.db2.gz QGFSSNLROVZCKD-QZTJIDSGSA-N 2 0 365.474 0.577 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)CC1 ZINC001195829702 1208042646 /nfs/dbraw/zinc/04/26/46/1208042646.db2.gz UXKNHEDUCBWAIJ-RTBURBONSA-N 2 0 361.486 0.706 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251335 1208069024 /nfs/dbraw/zinc/06/90/24/1208069024.db2.gz IXKBJONAESPVKY-KBAYOESNSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196298871 1208072982 /nfs/dbraw/zinc/07/29/82/1208072982.db2.gz DFNQPHDUMWCUSQ-BHIYHBOVSA-N 2 0 361.486 0.849 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001197058057 1208132617 /nfs/dbraw/zinc/13/26/17/1208132617.db2.gz LYNFLTCKSFGRQD-IPMKNSEASA-N 2 0 363.502 0.483 20 0 FCADRP Cc1ccncc1CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197253707 1208149022 /nfs/dbraw/zinc/14/90/22/1208149022.db2.gz MQPIMEPZDXRZLR-QZTJIDSGSA-N 2 0 362.474 0.162 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294501 1208154281 /nfs/dbraw/zinc/15/42/81/1208154281.db2.gz AAMLFWJCXXBDAA-OIISXLGYSA-N 2 0 369.473 0.768 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197628685 1208179960 /nfs/dbraw/zinc/17/99/60/1208179960.db2.gz STWMWBOOUDQTSX-QGZVFWFLSA-N 3 0 361.490 0.931 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001197955925 1208208881 /nfs/dbraw/zinc/20/88/81/1208208881.db2.gz QZDMGOFMERERCW-IAGOWNOFSA-N 2 0 366.510 0.342 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccncc1N1CCN(C)CC1 ZINC001198158152 1208225184 /nfs/dbraw/zinc/22/51/84/1208225184.db2.gz VOMJAHGMPDDZRS-UHFFFAOYSA-N 3 0 361.494 0.511 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(N2CCCNC2=O)nc1 ZINC001198473366 1208257093 /nfs/dbraw/zinc/25/70/93/1208257093.db2.gz XJVSWHHSNCDNOB-UHFFFAOYSA-N 2 0 361.450 0.679 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370105 1208343969 /nfs/dbraw/zinc/34/39/69/1208343969.db2.gz KTJZEIFJGZSVPV-QZTJIDSGSA-N 2 0 363.506 0.390 20 0 FCADRP CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220764355 1225060708 /nfs/dbraw/zinc/06/07/08/1225060708.db2.gz IQCJHXPKGSSWFO-MOPGFXCFSA-N 2 0 363.502 0.531 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771489 1225064132 /nfs/dbraw/zinc/06/41/32/1225064132.db2.gz VZAJPWXHVRUIGO-MSOLQXFVSA-N 2 0 365.518 0.840 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001273854504 1208433291 /nfs/dbraw/zinc/43/32/91/1208433291.db2.gz BCKISNXERQNANG-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP CCCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201230480 1208449394 /nfs/dbraw/zinc/44/93/94/1208449394.db2.gz SLVLSLBOLZOJQF-BFYDXBDKSA-N 2 0 368.522 0.591 20 0 FCADRP CN(CC1CC1)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569258 1208462988 /nfs/dbraw/zinc/46/29/88/1208462988.db2.gz HUCZMCHGLHZLAG-MKXGPGLRSA-N 2 0 374.529 0.918 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001110569510 1208463451 /nfs/dbraw/zinc/46/34/51/1208463451.db2.gz QEITVEQEJREJJY-HCXYKTFWSA-N 2 0 374.529 0.966 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220788852 1225074968 /nfs/dbraw/zinc/07/49/68/1225074968.db2.gz GUSBDEGTGTWXJV-GBESFXJTSA-N 2 0 357.502 0.922 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001488981980 1208598280 /nfs/dbraw/zinc/59/82/80/1208598280.db2.gz BRVUQJUNVKNBOX-HYVNUMGLSA-N 2 0 351.495 0.681 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001489348851 1208778484 /nfs/dbraw/zinc/77/84/84/1208778484.db2.gz ORXFBDVVSKWLTH-IXDOHACOSA-N 2 0 366.506 0.035 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1O ZINC001489381536 1208803504 /nfs/dbraw/zinc/80/35/04/1208803504.db2.gz HVSUDUJVPWLVBT-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2cn(C)c3ccccc23)C[NH2+]C1 ZINC001220829076 1225093884 /nfs/dbraw/zinc/09/38/84/1225093884.db2.gz WYOLZAUERJBEPV-HNNXBMFYSA-N 2 0 356.426 0.585 20 0 FCADRP COC(=O)[C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])CN1)c1c[nH]c2ccc(OC)cc21 ZINC001220842884 1225102294 /nfs/dbraw/zinc/10/22/94/1225102294.db2.gz CIQPLJNPIAHMBH-FSBGKCOPSA-N 2 0 360.414 0.239 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001489592282 1209013953 /nfs/dbraw/zinc/01/39/53/1209013953.db2.gz PBOMWJNSOHEJEJ-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001489653296 1209039556 /nfs/dbraw/zinc/03/95/56/1209039556.db2.gz KAFJAPQIVLMUEH-NUJGCVRESA-N 2 0 352.523 0.974 20 0 FCADRP CCOC(=O)[C@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001220875918 1225119708 /nfs/dbraw/zinc/11/97/08/1225119708.db2.gz BGDKUAIMJDGKRA-IAGOWNOFSA-N 2 0 362.474 0.200 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898528 1225129005 /nfs/dbraw/zinc/12/90/05/1225129005.db2.gz MUVJTOPZDAYEOO-KRWDZBQOSA-N 2 0 367.538 0.297 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000852741613 1209561027 /nfs/dbraw/zinc/56/10/27/1209561027.db2.gz WPTYHVZMUMLSGG-HNNXBMFYSA-N 2 0 370.494 0.505 20 0 FCADRP Cc1ccc([C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)N2CCC[NH2+]CC2)cc1 ZINC001220935965 1225148569 /nfs/dbraw/zinc/14/85/69/1225148569.db2.gz BHBAJIXGZYDGKN-RTBURBONSA-N 2 0 360.502 0.826 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CCC1 ZINC001110664937 1209592251 /nfs/dbraw/zinc/59/22/51/1209592251.db2.gz FODKPYUSGMADSJ-TWMKSMIVSA-N 2 0 361.490 0.450 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001110673546 1209607712 /nfs/dbraw/zinc/60/77/12/1209607712.db2.gz FVMDQRXKSCAXDE-TWMKSMIVSA-N 2 0 358.490 0.971 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cc(C[NH3+])cnc2=N)cc1 ZINC001220950751 1225154209 /nfs/dbraw/zinc/15/42/09/1225154209.db2.gz FKELIKIIHFMHEF-HNNXBMFYSA-N 2 0 371.441 0.987 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2nccnc21 ZINC001220950732 1225154266 /nfs/dbraw/zinc/15/42/66/1225154266.db2.gz DRNJXRTXCVTXMK-BPUTZDHNSA-N 2 0 374.489 0.418 20 0 FCADRP Cn1cc([C@H](O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000857443214 1209753232 /nfs/dbraw/zinc/75/32/32/1209753232.db2.gz AAUUULVDWBTFLJ-KRWDZBQOSA-N 2 0 358.446 0.177 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001110738926 1209768823 /nfs/dbraw/zinc/76/88/23/1209768823.db2.gz ZWZKTDMZWULQSO-ZACQAIPSSA-N 2 0 368.522 0.591 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3ccnc3C1)C2 ZINC001110740886 1209777406 /nfs/dbraw/zinc/77/74/06/1209777406.db2.gz HZZIFMNUOSBUQI-VQHPVUNQSA-N 2 0 362.474 0.830 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000858192579 1209779875 /nfs/dbraw/zinc/77/98/75/1209779875.db2.gz NLDUPHWKYYQKCU-IAGOWNOFSA-N 2 0 366.506 0.746 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220970996 1225166258 /nfs/dbraw/zinc/16/62/58/1225166258.db2.gz ORKZDKQCUMKCMH-CVEARBPZSA-N 2 0 362.449 0.570 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861739107 1209878463 /nfs/dbraw/zinc/87/84/63/1209878463.db2.gz DIJFQTZKNXMCNY-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP CC(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861912377 1209888317 /nfs/dbraw/zinc/88/83/17/1209888317.db2.gz PGJPPOCYQIFUDG-WGVHXZFPSA-N 2 0 362.518 0.440 20 0 FCADRP COC(=O)N1CCC([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000777256493 1209911924 /nfs/dbraw/zinc/91/19/24/1209911924.db2.gz YJYYIYVAPWLXRG-OAHLLOKOSA-N 2 0 371.526 0.988 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220985868 1225174453 /nfs/dbraw/zinc/17/44/53/1225174453.db2.gz IBIIHHCQQIPADP-JQHSSLGASA-N 2 0 365.518 0.696 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000863754102 1209949861 /nfs/dbraw/zinc/94/98/61/1209949861.db2.gz NYSMBYGDGUURHG-HNNXBMFYSA-N 2 0 361.490 0.353 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000863754468 1209950224 /nfs/dbraw/zinc/95/02/24/1209950224.db2.gz SMRQRNHZZLBHEA-QGZVFWFLSA-N 2 0 360.502 0.959 20 0 FCADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000864884343 1209967001 /nfs/dbraw/zinc/96/70/01/1209967001.db2.gz JASHNKNZOWUTOB-OVYGPGRDSA-N 2 0 366.481 0.811 20 0 FCADRP O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000866723159 1210005550 /nfs/dbraw/zinc/00/55/50/1210005550.db2.gz BPQCMKONWHVZKR-MSOLQXFVSA-N 2 0 364.534 0.964 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221005101 1225181897 /nfs/dbraw/zinc/18/18/97/1225181897.db2.gz WQJUMBCSLAVIJY-WDSOQIARSA-N 3 0 374.533 0.431 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215006 1210044582 /nfs/dbraw/zinc/04/45/82/1210044582.db2.gz AFENMDJMTUBRTB-ROUUACIJSA-N 2 0 365.522 0.271 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc2F)CC1 ZINC000868257333 1210047970 /nfs/dbraw/zinc/04/79/70/1210047970.db2.gz XKAJENDAAXTCSU-ZDUSSCGKSA-N 2 0 365.453 0.630 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000868277843 1210049036 /nfs/dbraw/zinc/04/90/36/1210049036.db2.gz FLSZDDNKPOJEEF-RDJZCZTQSA-N 2 0 357.458 0.340 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000868304744 1210051170 /nfs/dbraw/zinc/05/11/70/1210051170.db2.gz FPKXGUDOOKZAEJ-WKILWMFISA-N 2 0 373.501 0.929 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221010182 1225185106 /nfs/dbraw/zinc/18/51/06/1225185106.db2.gz AXTRPZMCCCCBCQ-QZTJIDSGSA-N 2 0 372.513 0.734 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875235955 1210355150 /nfs/dbraw/zinc/35/51/50/1210355150.db2.gz AFJUWSWBLICHLH-SJORKVTESA-N 2 0 366.506 0.603 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)nnn1C1CC[NH2+]CC1 ZINC000877347697 1210444423 /nfs/dbraw/zinc/44/44/23/1210444423.db2.gz OKMCGKXHLQQALZ-INIZCTEOSA-N 2 0 354.458 0.955 20 0 FCADRP CC(=O)N1C[C@@H]2C[NH+](C/C=C\C[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311986 1210528369 /nfs/dbraw/zinc/52/83/69/1210528369.db2.gz QTUAFAPQPBNLLD-XLEOCTNXSA-N 2 0 360.502 0.363 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221114096 1225226667 /nfs/dbraw/zinc/22/66/67/1225226667.db2.gz MRVKODXBIHCFOL-ZWKOTPCHSA-N 2 0 371.529 0.893 20 0 FCADRP C[C@@H](CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000883332315 1210662115 /nfs/dbraw/zinc/66/21/15/1210662115.db2.gz RZSXZOJHMMNXRX-HNNXBMFYSA-N 2 0 365.522 0.985 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883639277 1210677054 /nfs/dbraw/zinc/67/70/54/1210677054.db2.gz KQKZIEUGPXKTTR-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883639393 1210677618 /nfs/dbraw/zinc/67/76/18/1210677618.db2.gz OGVWFVOZBFYTJO-CVEARBPZSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883639736 1210677877 /nfs/dbraw/zinc/67/78/77/1210677877.db2.gz XHMVYQDXMBAISR-FZCLSBEQSA-N 2 0 371.485 0.705 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883639690 1210677887 /nfs/dbraw/zinc/67/78/87/1210677887.db2.gz WGEMRKDBAVZWPS-CABCVRRESA-N 2 0 359.474 0.705 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883639998 1210677929 /nfs/dbraw/zinc/67/79/29/1210677929.db2.gz DUJOWILQQODJRX-HOTGVXAUSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1c1cc[nH+]cc1 ZINC000883642885 1210678403 /nfs/dbraw/zinc/67/84/03/1210678403.db2.gz XFCRIUYUXDGYSV-YSGRDPCXSA-N 2 0 371.485 0.577 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000883646572 1210678708 /nfs/dbraw/zinc/67/87/08/1210678708.db2.gz VDWNKIPJZPTVSX-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221123885 1225230409 /nfs/dbraw/zinc/23/04/09/1225230409.db2.gz NRXGODLSQPGZHQ-UHFFFAOYSA-N 2 0 367.457 0.290 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CC[C@@H](Oc2ccncc2)C1 ZINC000883659104 1210682265 /nfs/dbraw/zinc/68/22/65/1210682265.db2.gz XIBICHBAOXGUBW-MRXNPFEDSA-N 2 0 358.442 0.806 20 0 FCADRP C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001006342848 1210696334 /nfs/dbraw/zinc/69/63/34/1210696334.db2.gz PQSSAGUIMHRAKK-JKIFEVAISA-N 2 0 366.506 0.153 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884200352 1210722236 /nfs/dbraw/zinc/72/22/36/1210722236.db2.gz ZTDXDQYMDRGPCV-UHFFFAOYSA-N 2 0 374.533 0.495 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000884207734 1210723213 /nfs/dbraw/zinc/72/32/13/1210723213.db2.gz DLDUYOGOQQOQQJ-OAHLLOKOSA-N 2 0 362.474 0.602 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280974 1210728378 /nfs/dbraw/zinc/72/83/78/1210728378.db2.gz YIDKMUTZNGKSNX-HNNXBMFYSA-N 2 0 374.407 0.851 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000884280738 1210728641 /nfs/dbraw/zinc/72/86/41/1210728641.db2.gz SIBWRFWLUAELQJ-HNNXBMFYSA-N 2 0 374.407 0.851 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000884489156 1210738364 /nfs/dbraw/zinc/73/83/64/1210738364.db2.gz QZLAJTSRVBRIPV-NXHRZFHOSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000884489154 1210738683 /nfs/dbraw/zinc/73/86/83/1210738683.db2.gz QZLAJTSRVBRIPV-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884503932 1210740243 /nfs/dbraw/zinc/74/02/43/1210740243.db2.gz XUHCFNDVIYZEFI-SQNIBIBYSA-N 2 0 356.470 0.240 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532780 1210745621 /nfs/dbraw/zinc/74/56/21/1210745621.db2.gz QDTYEPGJFSPKOW-LAVFITLUSA-N 2 0 356.470 0.586 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000884542971 1210746998 /nfs/dbraw/zinc/74/69/98/1210746998.db2.gz QUAZIKLSBCACKP-QGZVFWFLSA-N 2 0 365.522 0.001 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000884557696 1210750776 /nfs/dbraw/zinc/75/07/76/1210750776.db2.gz WXEHPEWLCYJFQH-KRWDZBQOSA-N 2 0 359.474 0.502 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CC1 ZINC001221136864 1225235936 /nfs/dbraw/zinc/23/59/36/1225235936.db2.gz WGKUDJCLOGIXBO-INIZCTEOSA-N 2 0 362.474 0.029 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000884560171 1210751824 /nfs/dbraw/zinc/75/18/24/1210751824.db2.gz PDAGDAFRAKDVIP-RHSMWYFYSA-N 2 0 358.486 0.888 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884566976 1210752518 /nfs/dbraw/zinc/75/25/18/1210752518.db2.gz YRNJQPCPPFHKCD-RHSMWYFYSA-N 2 0 358.486 0.255 20 0 FCADRP CCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884566197 1210752828 /nfs/dbraw/zinc/75/28/28/1210752828.db2.gz CZYJARSSGXQCLR-QGZVFWFLSA-N 2 0 358.486 0.412 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000884576568 1210754258 /nfs/dbraw/zinc/75/42/58/1210754258.db2.gz KQPHTCHHNBVJDZ-BMGDILEWSA-N 2 0 358.486 0.888 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000884577102 1210755979 /nfs/dbraw/zinc/75/59/79/1210755979.db2.gz XVUDNOBDQGIBKT-IXDOHACOSA-N 2 0 362.449 0.898 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884598216 1210758738 /nfs/dbraw/zinc/75/87/38/1210758738.db2.gz VWOZDSQDJIFMAM-INIZCTEOSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598309 1210759023 /nfs/dbraw/zinc/75/90/23/1210759023.db2.gz XSBSGRBKNLSIJO-PFRQMTDMSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884604211 1210760875 /nfs/dbraw/zinc/76/08/75/1210760875.db2.gz BSUKUGCHQMPFQV-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884604209 1210761307 /nfs/dbraw/zinc/76/13/07/1210761307.db2.gz BSUKUGCHQMPFQV-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000884608845 1210761797 /nfs/dbraw/zinc/76/17/97/1210761797.db2.gz YNRFLOUVGFTWAN-WMLDXEAASA-N 2 0 360.502 0.910 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884626098 1210765808 /nfs/dbraw/zinc/76/58/08/1210765808.db2.gz AQVUUUHUAXOOPJ-IBGZPJMESA-N 2 0 370.497 0.808 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626123 1210766091 /nfs/dbraw/zinc/76/60/91/1210766091.db2.gz BCIUEFORGBAFBB-IRXDYDNUSA-N 2 0 356.470 0.692 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884664299 1210774413 /nfs/dbraw/zinc/77/44/13/1210774413.db2.gz HVTYRAHAGPCKEO-GOSISDBHSA-N 2 0 370.497 0.808 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670428 1210776010 /nfs/dbraw/zinc/77/60/10/1210776010.db2.gz ZPIOWPOJADEKDH-BZSNNMDCSA-N 2 0 356.470 0.560 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884674406 1210777482 /nfs/dbraw/zinc/77/74/82/1210777482.db2.gz VEAIUTYOFXODOP-NJAFHUGGSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000884691058 1210780750 /nfs/dbraw/zinc/78/07/50/1210780750.db2.gz VIQVPOBAFUHJSB-MAUKXSAKSA-N 2 0 367.453 0.935 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000884703778 1210783869 /nfs/dbraw/zinc/78/38/69/1210783869.db2.gz KIERZVMYBUKFBF-RDJZCZTQSA-N 2 0 362.474 0.166 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000884712364 1210785613 /nfs/dbraw/zinc/78/56/13/1210785613.db2.gz PCJHBKIVKFDLEP-KXBFYZLASA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884728046 1210791565 /nfs/dbraw/zinc/79/15/65/1210791565.db2.gz HKCUTEUSZDGHDU-GPANFISMSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000884775671 1210793546 /nfs/dbraw/zinc/79/35/46/1210793546.db2.gz IMENAZFCHSWTIN-IPMKNSEASA-N 2 0 370.497 0.950 20 0 FCADRP CCN(C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884778686 1210793995 /nfs/dbraw/zinc/79/39/95/1210793995.db2.gz DBNFOKBZPYODFN-GOSISDBHSA-N 2 0 373.501 0.620 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000884779480 1210794369 /nfs/dbraw/zinc/79/43/69/1210794369.db2.gz YHFYRLPNCDSTJX-WMLDXEAASA-N 2 0 359.474 0.358 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[NH2+]C1 ZINC000884787088 1210794796 /nfs/dbraw/zinc/79/47/96/1210794796.db2.gz GRIVGEBGRPYYHK-CVEARBPZSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789850 1210795520 /nfs/dbraw/zinc/79/55/20/1210795520.db2.gz DOSPPGFLKFMTRE-JJXOGSGTSA-N 2 0 370.497 0.739 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824557 1210800096 /nfs/dbraw/zinc/80/00/96/1210800096.db2.gz ACEJUJOMNDMRCN-MXSMSXNCSA-N 2 0 358.486 0.737 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884833081 1210800317 /nfs/dbraw/zinc/80/03/17/1210800317.db2.gz FVWRSDLQLPGGRB-NXHRZFHOSA-N 2 0 374.485 0.057 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835243 1210800337 /nfs/dbraw/zinc/80/03/37/1210800337.db2.gz NMLKMHKNAXDGND-NUJGCVRESA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834297 1210800479 /nfs/dbraw/zinc/80/04/79/1210800479.db2.gz UYVWNNSPMWMYNR-OWYHZJEWSA-N 2 0 370.497 0.549 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000884908285 1210803603 /nfs/dbraw/zinc/80/36/03/1210803603.db2.gz IPLLJWSOGUTEMC-JYJNAYRXSA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884968093 1210805815 /nfs/dbraw/zinc/80/58/15/1210805815.db2.gz OPSVUVUXHRALMA-OWCLPIDISA-N 2 0 368.522 0.496 20 0 FCADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884976482 1210806333 /nfs/dbraw/zinc/80/63/33/1210806333.db2.gz RKWAVZQWCMLJCU-OALUTQOASA-N 2 0 370.497 0.978 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)C2)cc1 ZINC000884982601 1210806351 /nfs/dbraw/zinc/80/63/51/1210806351.db2.gz GHRXAHGMBDYSHF-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139505 1210811801 /nfs/dbraw/zinc/81/18/01/1210811801.db2.gz IYDIFBZEVOXUHH-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139431 1210811872 /nfs/dbraw/zinc/81/18/72/1210811872.db2.gz IDYVOODGVGKKNA-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139613 1210811893 /nfs/dbraw/zinc/81/18/93/1210811893.db2.gz KGKCLPMOEUJKCV-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167832 1210814429 /nfs/dbraw/zinc/81/44/29/1210814429.db2.gz PRRVOSRHVRQUMH-CEXWTWQISA-N 2 0 370.497 0.760 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000885167258 1210814472 /nfs/dbraw/zinc/81/44/72/1210814472.db2.gz LFTMMTBAJSHZMB-RTBURBONSA-N 2 0 370.497 0.904 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000885167257 1210814578 /nfs/dbraw/zinc/81/45/78/1210814578.db2.gz LFTMMTBAJSHZMB-RBUKOAKNSA-N 2 0 370.497 0.904 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000885280422 1210817028 /nfs/dbraw/zinc/81/70/28/1210817028.db2.gz OUJRFNFDIFYVBW-LSDHHAIUSA-N 2 0 372.460 0.538 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000885281551 1210817081 /nfs/dbraw/zinc/81/70/81/1210817081.db2.gz VCJOAPNAABVQDD-AWEZNQCLSA-N 2 0 372.460 0.824 20 0 FCADRP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869170 1210820965 /nfs/dbraw/zinc/82/09/65/1210820965.db2.gz PRDAWRYODXMRBG-CTNGQTDRSA-N 2 0 373.497 0.993 20 0 FCADRP Cn1cc(CC[NH+](C)[C@H]2CC[C@H]([N@@H+](C)CCc3cn(C)nn3)CC2)nn1 ZINC000886387143 1210828926 /nfs/dbraw/zinc/82/89/26/1210828926.db2.gz VLIVAHBBVLGMJK-IYARVYRRSA-N 2 0 360.510 0.904 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)C[C@H]1C[NH+](C)C ZINC000890270702 1210832549 /nfs/dbraw/zinc/83/25/49/1210832549.db2.gz QITQYEXTSITLNN-BRWVUGGUSA-N 2 0 365.522 0.378 20 0 FCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000886881232 1210839350 /nfs/dbraw/zinc/83/93/50/1210839350.db2.gz VATNACFZATVUCI-ARWBCWGVSA-N 2 0 371.481 0.852 20 0 FCADRP CCN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000886994418 1210841869 /nfs/dbraw/zinc/84/18/69/1210841869.db2.gz WFEDQUMHRPIELK-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064165 1210844601 /nfs/dbraw/zinc/84/46/01/1210844601.db2.gz BKOXHAUOIWRPBV-ZWKOTPCHSA-N 2 0 358.486 0.774 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000887091749 1210847091 /nfs/dbraw/zinc/84/70/91/1210847091.db2.gz VGWRSLXPKPIBRQ-BEFAXECRSA-N 2 0 357.458 0.331 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000887091774 1210847397 /nfs/dbraw/zinc/84/73/97/1210847397.db2.gz VVSNDTFWBPSLCJ-VCBZYWHSSA-N 2 0 357.458 0.459 20 0 FCADRP CO[C@H]1CCN2C(=O)N(C3CC[NH+](C4CCN(C)CC4)CC3)C(=O)[C@@H]2C1 ZINC000349355164 1210869322 /nfs/dbraw/zinc/86/93/22/1210869322.db2.gz ZRUDXVPDCDGJTG-IRXDYDNUSA-N 2 0 364.490 0.987 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083339 1210875749 /nfs/dbraw/zinc/87/57/49/1210875749.db2.gz DPWGNKBZAPTKTR-RDJZCZTQSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H](C(=O)N1CCc2c(n[nH]c2C(=O)NC2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001274157792 1210899599 /nfs/dbraw/zinc/89/95/99/1210899599.db2.gz PHMRCRJVSRQEDY-LBPRGKRZSA-N 2 0 362.478 0.069 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001274158472 1210900209 /nfs/dbraw/zinc/90/02/09/1210900209.db2.gz XUEBUBMLSPCBSW-GOEBONIOSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[C@@H]4CCC[N@H+](C)C4)(C2)C3)CC1 ZINC001274195407 1210908598 /nfs/dbraw/zinc/90/85/98/1210908598.db2.gz PHRZYYCOYWNOTG-VMEOHVCESA-N 2 0 362.518 0.968 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)C3(O)CC[NH+](C)CC3)CC2)C1 ZINC001274203272 1210911415 /nfs/dbraw/zinc/91/14/15/1210911415.db2.gz LOMNDPLCSGOPKS-UHFFFAOYSA-N 2 0 366.550 0.709 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000889433579 1210938604 /nfs/dbraw/zinc/93/86/04/1210938604.db2.gz GYLSPNUIEFYMKL-WBVHZDCISA-N 2 0 374.489 0.642 20 0 FCADRP CCN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000890129782 1210966368 /nfs/dbraw/zinc/96/63/68/1210966368.db2.gz DGFNBTKNDWEVDT-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890134744 1210967566 /nfs/dbraw/zinc/96/75/66/1210967566.db2.gz RDCWAFOIOZZPOK-ROUUACIJSA-N 2 0 367.538 0.376 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000890141680 1210969304 /nfs/dbraw/zinc/96/93/04/1210969304.db2.gz ODCPTRHFRZQPAE-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH+]4CCC3CC4)(C1)CCC2 ZINC001274418859 1211049561 /nfs/dbraw/zinc/04/95/61/1211049561.db2.gz MGLSCCDBQBVORA-LSTHTHJFSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1ccnc(N)c1)CC2 ZINC001274945981 1211149839 /nfs/dbraw/zinc/14/98/39/1211149839.db2.gz BYLNSKLYKSQBMN-UHFFFAOYSA-N 2 0 359.474 0.609 20 0 FCADRP CC[N@@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001274950150 1211150687 /nfs/dbraw/zinc/15/06/87/1211150687.db2.gz JELWVYCFWNNKQT-UKRRQHHQSA-N 2 0 367.494 0.082 20 0 FCADRP CCC(CC)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275075532 1211173811 /nfs/dbraw/zinc/17/38/11/1211173811.db2.gz ZYXKZPLQWCOXMB-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171067 1211187906 /nfs/dbraw/zinc/18/79/06/1211187906.db2.gz CRXOOPGUDKJSQX-UYAOXDASSA-N 2 0 364.534 0.868 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCN3C)CC2)C1 ZINC001275177635 1211190333 /nfs/dbraw/zinc/19/03/33/1211190333.db2.gz QDRVELANUZNEIB-GOSISDBHSA-N 2 0 365.566 0.498 20 0 FCADRP COc1ncc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275366742 1211224469 /nfs/dbraw/zinc/22/44/69/1211224469.db2.gz XZTOJWOFWJOTOM-GOSISDBHSA-N 2 0 361.446 0.388 20 0 FCADRP Cn1cncc1CN1C[C@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)OCC1=O ZINC001275421771 1211233875 /nfs/dbraw/zinc/23/38/75/1211233875.db2.gz OJSVCLPRRWBBAB-GOSISDBHSA-N 2 0 357.414 0.524 20 0 FCADRP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH+]ccc1N ZINC001275456223 1211242816 /nfs/dbraw/zinc/24/28/16/1211242816.db2.gz WOHJFAUGMRUOMU-BZUAXINKSA-N 2 0 362.430 0.247 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507855 1211252578 /nfs/dbraw/zinc/25/25/78/1211252578.db2.gz KXAAVQUDZDTVOC-IFXJQAMLSA-N 2 0 366.506 0.679 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@@H]3C(=O)NC[C@H]3CCC(=O)N3)CC2)CC1 ZINC001275555921 1211256003 /nfs/dbraw/zinc/25/60/03/1211256003.db2.gz ZFONLVGZYMSNRM-IAGOWNOFSA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556728 1211256324 /nfs/dbraw/zinc/25/63/24/1211256324.db2.gz OWHNOKWKOCJNDT-QFBILLFUSA-N 2 0 366.506 0.143 20 0 FCADRP CC(C)OC(=O)CN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556980 1211257026 /nfs/dbraw/zinc/25/70/26/1211257026.db2.gz RFXAJACYFBPDHU-LJQANCHMSA-N 2 0 367.490 0.583 20 0 FCADRP O=C1CC[C@@H](CN2CC[C@]3(CCC[N@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737636 1211278983 /nfs/dbraw/zinc/27/89/83/1211278983.db2.gz MTTHSEMHRJDNGB-FXAWDEMLSA-N 2 0 362.518 0.969 20 0 FCADRP Cn1cnnc1CN1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275749999 1211280739 /nfs/dbraw/zinc/28/07/39/1211280739.db2.gz CJLLUNXPCLMPJU-LJQANCHMSA-N 2 0 360.506 0.971 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789682 1211283853 /nfs/dbraw/zinc/28/38/53/1211283853.db2.gz JGAAGCDUKGUDQF-HXUWFJFHSA-N 2 0 364.534 0.585 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001275878049 1211303657 /nfs/dbraw/zinc/30/36/57/1211303657.db2.gz GMTBMKGOTSWWNU-HXUWFJFHSA-N 3 0 366.550 0.831 20 0 FCADRP CN(C)C(=O)CCN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881251 1211305497 /nfs/dbraw/zinc/30/54/97/1211305497.db2.gz XUAHMCUVLMXDLE-LPHOPBHVSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CC3C(=O)N=CNC3=O)CC2)C1=O ZINC001275896279 1211308663 /nfs/dbraw/zinc/30/86/63/1211308663.db2.gz XAQXCLILDHDUNA-GOSISDBHSA-N 2 0 363.462 0.654 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001275940644 1211314235 /nfs/dbraw/zinc/31/42/35/1211314235.db2.gz DDJJGCCDLMVHFM-YQFWSFKMSA-N 2 0 362.518 0.822 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371304404 1211335592 /nfs/dbraw/zinc/33/55/92/1211335592.db2.gz SZDGAGWQIYGIIH-FGTMMUONSA-N 2 0 367.538 0.375 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276130429 1211363100 /nfs/dbraw/zinc/36/31/00/1211363100.db2.gz MWJJUOOQXFRYHJ-GOSISDBHSA-N 2 0 363.462 0.715 20 0 FCADRP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c(N)n1 ZINC001276260274 1211396345 /nfs/dbraw/zinc/39/63/45/1211396345.db2.gz SVNOLDOIRGMCOR-IBGZPJMESA-N 2 0 361.490 0.585 20 0 FCADRP CC(C)[C@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCN(C)CC1 ZINC000924457083 1211469937 /nfs/dbraw/zinc/46/99/37/1211469937.db2.gz PIBISLPDWDWJGH-IRXDYDNUSA-N 2 0 365.522 0.665 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC000924472323 1211471250 /nfs/dbraw/zinc/47/12/50/1211471250.db2.gz DIEHLAUMRZBJHO-QZTJIDSGSA-N 2 0 373.501 0.847 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925351838 1211497208 /nfs/dbraw/zinc/49/72/08/1211497208.db2.gz YYSZWWXLDKGZKT-IKGGRYGDSA-N 2 0 364.490 0.771 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926316680 1211529982 /nfs/dbraw/zinc/52/99/82/1211529982.db2.gz MJQZUKGLGGIBOT-BPQIPLTHSA-N 2 0 373.501 0.700 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000927881424 1211589780 /nfs/dbraw/zinc/58/97/80/1211589780.db2.gz BRERAUKWSOCIQO-INIZCTEOSA-N 2 0 373.501 0.964 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000927888728 1211590479 /nfs/dbraw/zinc/59/04/79/1211590479.db2.gz XDQMKSUIMDZXCR-AWEZNQCLSA-N 2 0 362.478 0.676 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)cc1 ZINC001221392881 1225305100 /nfs/dbraw/zinc/30/51/00/1225305100.db2.gz PLUICSVEAALDQC-KRWDZBQOSA-N 2 0 369.469 0.224 20 0 FCADRP C[NH+]1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001221404900 1225307182 /nfs/dbraw/zinc/30/71/82/1225307182.db2.gz MEFOWNUBOBYXCL-OXQOHEQNSA-N 2 0 358.486 0.285 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404089 1225307195 /nfs/dbraw/zinc/30/71/95/1225307195.db2.gz GISHEMDJIOKWEG-IRXDYDNUSA-N 3 0 362.474 0.264 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931612712 1211763473 /nfs/dbraw/zinc/76/34/73/1211763473.db2.gz YVSJNQRKZUGQGO-OAHLLOKOSA-N 2 0 361.490 0.858 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947086158 1211815866 /nfs/dbraw/zinc/81/58/66/1211815866.db2.gz LLKMKASERJVRCM-OIISXLGYSA-N 2 0 368.522 0.399 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933841726 1211848753 /nfs/dbraw/zinc/84/87/53/1211848753.db2.gz KEPVQJVBMJKDFN-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)CC1 ZINC001111197287 1211922698 /nfs/dbraw/zinc/92/26/98/1211922698.db2.gz RBUZHUZUIAQNLZ-OIISXLGYSA-N 2 0 362.478 0.110 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)C1CC[NH+](CC2CC2)CC1 ZINC001111261189 1211978801 /nfs/dbraw/zinc/97/88/01/1211978801.db2.gz GBWBIJYGDDIRMG-QRVBRYPASA-N 2 0 365.518 0.839 20 0 FCADRP COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cncc2C)C3)nn1 ZINC001095768450 1211981236 /nfs/dbraw/zinc/98/12/36/1211981236.db2.gz FRVQTBZTPRAETN-PMPSAXMXSA-N 2 0 356.430 0.912 20 0 FCADRP CCN1CCN(C(=O)CC2CCN(CN3C[C@@H](OC)CC3=O)CC2)CC1 ZINC000189129222 1212150681 /nfs/dbraw/zinc/15/06/81/1212150681.db2.gz YLHMXPYAPWWYKJ-KRWDZBQOSA-N 2 0 366.506 0.457 20 0 FCADRP CCC(CC)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281316 1212233108 /nfs/dbraw/zinc/23/31/08/1212233108.db2.gz MUOXFUNMMXAPHD-ZACQAIPSSA-N 2 0 368.522 0.591 20 0 FCADRP O=C(Cc1ncc[nH]1)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007499987 1212509590 /nfs/dbraw/zinc/50/95/90/1212509590.db2.gz IWTQMHJJYVWSNO-FTRWYGJKSA-N 2 0 371.485 0.791 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001111308299 1212537630 /nfs/dbraw/zinc/53/76/30/1212537630.db2.gz MFQYZZHDMCFRMM-TVFCKZIOSA-N 2 0 363.506 0.697 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950241348 1212538080 /nfs/dbraw/zinc/53/80/80/1212538080.db2.gz CYLISZVGZFBMQU-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP Cc1cn(C(C)(C)C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000950243482 1212539548 /nfs/dbraw/zinc/53/95/48/1212539548.db2.gz DZWOBMHBPNXFFG-OWCLPIDISA-N 2 0 361.490 0.984 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC000950243925 1212540055 /nfs/dbraw/zinc/54/00/55/1212540055.db2.gz PSKYCHUGNLIURJ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616967 1225400942 /nfs/dbraw/zinc/40/09/42/1225400942.db2.gz YCMREBLBKXXOKE-KURKYZTESA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000954406240 1213068638 /nfs/dbraw/zinc/06/86/38/1213068638.db2.gz QUUHJFWGOZGGQF-UKRRQHHQSA-N 2 0 359.474 0.771 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954408832 1213069674 /nfs/dbraw/zinc/06/96/74/1213069674.db2.gz TUEGLGVSLFQHBE-JFIYKMOQSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000957083192 1213247813 /nfs/dbraw/zinc/24/78/13/1213247813.db2.gz NAZOEXGYFCSHRK-DJIMGWMZSA-N 2 0 360.502 0.387 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089354 1213248861 /nfs/dbraw/zinc/24/88/61/1213248861.db2.gz CGBZZDVGCRYUOT-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089353 1213249044 /nfs/dbraw/zinc/24/90/44/1213249044.db2.gz CGBZZDVGCRYUOT-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957088279 1213249279 /nfs/dbraw/zinc/24/92/79/1213249279.db2.gz YXETYNFEJBFHOL-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)C1 ZINC001095912104 1213450600 /nfs/dbraw/zinc/45/06/00/1213450600.db2.gz ICPJMNWQFNLAIM-VSZNYVQBSA-N 2 0 361.490 0.714 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)CCC1 ZINC000960140013 1213634353 /nfs/dbraw/zinc/63/43/53/1213634353.db2.gz VZOLBEHIGBUWHK-OWCLPIDISA-N 2 0 364.490 0.003 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)C[NH+]4CCCC4)C3)C2)CC[N@@H+]1C ZINC001014003671 1213917229 /nfs/dbraw/zinc/91/72/29/1213917229.db2.gz XEBZQFQCSLYZET-FUNFLYJBSA-N 2 0 362.518 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCn2cncn2)CC3)CC[N@@H+]1C ZINC001016631111 1214025310 /nfs/dbraw/zinc/02/53/10/1214025310.db2.gz NIPAVDKFDHNSPF-BBWFWOEESA-N 2 0 360.506 0.979 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N2CCCC2)CC3)CC[N@@H+]1C ZINC001016632029 1214025426 /nfs/dbraw/zinc/02/54/26/1214025426.db2.gz KBNOEHLCTGYGHG-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001017133269 1214075470 /nfs/dbraw/zinc/07/54/70/1214075470.db2.gz QKCHVOYUJLVJKB-RBSFLKMASA-N 2 0 364.494 0.119 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000419401056 1214178851 /nfs/dbraw/zinc/17/88/51/1214178851.db2.gz AIPBQRKDACKGAS-VQIMIIECSA-N 2 0 362.449 0.899 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000419401054 1214179310 /nfs/dbraw/zinc/17/93/10/1214179310.db2.gz AIPBQRKDACKGAS-LPHOPBHVSA-N 2 0 362.449 0.899 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961665531 1214261765 /nfs/dbraw/zinc/26/17/65/1214261765.db2.gz WSGAVGHDTYLUCL-IGKNDFSCSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCCC[NH+]4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961666815 1214262366 /nfs/dbraw/zinc/26/23/66/1214262366.db2.gz NMBMLBLGWQYEDU-SFFUCWETSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001020172079 1214317224 /nfs/dbraw/zinc/31/72/24/1214317224.db2.gz LETJWXOKMBFYPM-KBUPBQIOSA-N 2 0 363.510 0.548 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001039867291 1214452151 /nfs/dbraw/zinc/45/21/51/1214452151.db2.gz GLCROSUZXDOWSV-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894841 1225526142 /nfs/dbraw/zinc/52/61/42/1225526142.db2.gz KITGYHVSKNLLTL-SJLPKXTDSA-N 2 0 369.506 0.293 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950143 1225548959 /nfs/dbraw/zinc/54/89/59/1225548959.db2.gz VNHGSKIOBWGJAW-KZNAEPCWSA-N 2 0 365.518 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000964536193 1214975641 /nfs/dbraw/zinc/97/56/41/1214975641.db2.gz LMESNRZCEMWSRI-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000968091900 1215283824 /nfs/dbraw/zinc/28/38/24/1215283824.db2.gz TUJKGKBHHSKVFP-DJIMGWMZSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+](C)CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055626605 1215892530 /nfs/dbraw/zinc/89/25/30/1215892530.db2.gz ZFGVFXWITDHMPR-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)CCC[NH+](C)C)CC2)O1 ZINC001055626052 1215892616 /nfs/dbraw/zinc/89/26/16/1215892616.db2.gz NAHVUHLZQNXNDK-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055647262 1215897103 /nfs/dbraw/zinc/89/71/03/1215897103.db2.gz PGUVWNPEQLLLGW-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055647380 1215897300 /nfs/dbraw/zinc/89/73/00/1215897300.db2.gz RGSVEYFBTOXJFM-VYDXJSESSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001055651633 1215899526 /nfs/dbraw/zinc/89/95/26/1215899526.db2.gz UYEINIUNAXKBLL-DJIMGWMZSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001056106016 1215948676 /nfs/dbraw/zinc/94/86/76/1215948676.db2.gz RKYWTMGCUBIOOT-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC001222646433 1225642780 /nfs/dbraw/zinc/64/27/80/1225642780.db2.gz AXIVHWYMQUOJQC-DLBZAZTESA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)CC[N@@H+]1C ZINC001222707289 1225647243 /nfs/dbraw/zinc/64/72/43/1225647243.db2.gz DFMMMDZWGAVCAJ-AHCXZYCDSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001000477939 1216069177 /nfs/dbraw/zinc/06/91/77/1216069177.db2.gz SAJDKNQUJGYXNU-BGTYHANMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@H]3CCNC3=O)cc2F)CC[N@@H+]1C ZINC001001522577 1216231924 /nfs/dbraw/zinc/23/19/24/1216231924.db2.gz FVMGQDRHBVFLME-VMGRFDJRSA-N 2 0 362.449 0.760 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001050048972 1216274290 /nfs/dbraw/zinc/27/42/90/1216274290.db2.gz DHBFMEIDZMOVJV-CYGHRXIMSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)CC[N@@H+]1C ZINC001050525440 1216330704 /nfs/dbraw/zinc/33/07/04/1216330704.db2.gz XLEXBLFGKRXKQM-KFWWJZLASA-N 2 0 362.474 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC2CC2)CC3)CC[N@@H+]1C ZINC001050523929 1216331664 /nfs/dbraw/zinc/33/16/64/1216331664.db2.gz MITXFEYSWRLHGY-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968739 1225671396 /nfs/dbraw/zinc/67/13/96/1225671396.db2.gz RPVJMGTWDSHWBH-SQNIBIBYSA-N 2 0 365.518 0.793 20 0 FCADRP COc1ccnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)c1 ZINC001051622759 1216468330 /nfs/dbraw/zinc/46/83/30/1216468330.db2.gz XRVZWPNWEVDMCB-FHLIZLRMSA-N 2 0 362.474 0.747 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccn3CC)C2)CC[N@@H+]1C ZINC001051624938 1216469087 /nfs/dbraw/zinc/46/90/87/1216469087.db2.gz WHFMGGLYADPATL-IXDOHACOSA-N 2 0 363.506 0.950 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1=O ZINC000827320075 1216586726 /nfs/dbraw/zinc/58/67/26/1216586726.db2.gz QQSSZOKDTIMXLN-MLHJIOFPSA-N 2 0 362.518 0.872 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115717 1225682608 /nfs/dbraw/zinc/68/26/08/1225682608.db2.gz JNTVYCHKHLVKIN-OLMNPRSZSA-N 2 0 358.442 0.878 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827706336 1216642964 /nfs/dbraw/zinc/64/29/64/1216642964.db2.gz LMIUJXFLOJLZKT-BBWFWOEESA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001058236642 1216654658 /nfs/dbraw/zinc/65/46/58/1216654658.db2.gz AZDUYOQPPXDBRZ-DLBZAZTESA-N 2 0 370.538 0.386 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCO2 ZINC001068401833 1216731626 /nfs/dbraw/zinc/73/16/26/1216731626.db2.gz UAZTUTADBQMUMY-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC3(CN(C(=O)CC[NH+](C)C)C3)O2)CC[N@@H+]1C ZINC001068579447 1216746806 /nfs/dbraw/zinc/74/68/06/1216746806.db2.gz PESTXWAEYOOEDV-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068939650 1216770334 /nfs/dbraw/zinc/77/03/34/1216770334.db2.gz GGKCRBDGWGTGGD-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069928983 1216848788 /nfs/dbraw/zinc/84/87/88/1216848788.db2.gz OPQDDNNICLHARA-CVEARBPZSA-N 2 0 360.466 0.100 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223916964 1225745946 /nfs/dbraw/zinc/74/59/46/1225745946.db2.gz WWWMYEYEDVQWLQ-CVEARBPZSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1cc(C)nc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276932680 1225748253 /nfs/dbraw/zinc/74/82/53/1225748253.db2.gz FJUJMEIGUFXDDA-LJQANCHMSA-N 2 0 359.474 0.996 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223947198 1225748538 /nfs/dbraw/zinc/74/85/38/1225748538.db2.gz YJGIPDKGUSVPKG-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223977766 1225750081 /nfs/dbraw/zinc/75/00/81/1225750081.db2.gz LFJKFOWHRCYJBH-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C3)n1 ZINC001096015917 1217913218 /nfs/dbraw/zinc/91/32/18/1217913218.db2.gz UHEKSGYBHXFJLL-NBMRYCAZSA-N 2 0 360.506 0.958 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000900229554 1217973084 /nfs/dbraw/zinc/97/30/84/1217973084.db2.gz OMKIELBESXLEAP-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3ccnn3CC[NH+](C)C)CC2)CC1 ZINC000900445712 1217989804 /nfs/dbraw/zinc/98/98/04/1217989804.db2.gz JOYOORGHIVFVQF-UHFFFAOYSA-N 2 0 362.522 0.733 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000900586893 1218009413 /nfs/dbraw/zinc/00/94/13/1218009413.db2.gz SGXSOXKABAZSHZ-SJORKVTESA-N 2 0 369.506 0.831 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602738 1218011349 /nfs/dbraw/zinc/01/13/49/1218011349.db2.gz RUEPLBLPTATHJL-RBUKOAKNSA-N 2 0 366.550 0.850 20 0 FCADRP CC(C)[NH+](C)CCNC(=O)c1cnc(C(=O)NCC[N@@H+](C)C(C)C)cn1 ZINC000900697235 1218027200 /nfs/dbraw/zinc/02/72/00/1218027200.db2.gz JFLYHVDXEUFHGC-UHFFFAOYSA-N 2 0 364.494 0.617 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000901119583 1218083670 /nfs/dbraw/zinc/08/36/70/1218083670.db2.gz SYEJTNCMHLRBOR-WMZOPIPTSA-N 2 0 363.506 0.942 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386547 1218138871 /nfs/dbraw/zinc/13/88/71/1218138871.db2.gz ZUTZPIYUPRJVMA-OAOYMFHYSA-N 2 0 361.486 0.523 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096351012 1218260694 /nfs/dbraw/zinc/26/06/94/1218260694.db2.gz XGCRAVIJLUJBTI-FZKCQIBNSA-N 2 0 362.474 0.199 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001049075531 1218377789 /nfs/dbraw/zinc/37/77/89/1218377789.db2.gz QBKYCKFPUGYMPC-XDNAFOTISA-N 2 0 356.470 0.207 20 0 FCADRP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757604 1218517246 /nfs/dbraw/zinc/51/72/46/1218517246.db2.gz DVSUAIRUQHHLQW-GJZGRUSLSA-N 2 0 363.462 0.860 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769867 1218521943 /nfs/dbraw/zinc/52/19/43/1218521943.db2.gz QJNKAXXCCFGWFD-FUHIMQAGSA-N 3 0 374.533 0.767 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000903778557 1218523214 /nfs/dbraw/zinc/52/32/14/1218523214.db2.gz PUMJXTKFGAZWHB-MRXNPFEDSA-N 2 0 361.490 0.998 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O ZINC001096608796 1218575356 /nfs/dbraw/zinc/57/53/56/1218575356.db2.gz FTAYXIBTEZWQPO-LAVFITLUSA-N 2 0 356.470 0.972 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000803995633 1218579913 /nfs/dbraw/zinc/57/99/13/1218579913.db2.gz JLJXSBSOMQHENE-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001097085520 1218685223 /nfs/dbraw/zinc/68/52/23/1218685223.db2.gz HHVHOTHZSQIHBZ-TWMKSMIVSA-N 2 0 361.490 0.075 20 0 FCADRP Cn1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)cn1 ZINC001097095894 1218688217 /nfs/dbraw/zinc/68/82/17/1218688217.db2.gz YSTPXQDKOITROD-NXHRZFHOSA-N 2 0 371.489 0.714 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001097102122 1218689283 /nfs/dbraw/zinc/68/92/83/1218689283.db2.gz OLDIHTKKGIRTSK-QCODTGAPSA-N 2 0 362.474 0.197 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001226323272 1225840252 /nfs/dbraw/zinc/84/02/52/1225840252.db2.gz KEBLLULNFRLYBI-KLHDSHLOSA-N 2 0 374.489 0.772 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097210272 1218720914 /nfs/dbraw/zinc/72/09/14/1218720914.db2.gz SVBHCLULYVLYMA-TVFCKZIOSA-N 2 0 360.506 0.978 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226765869 1225854318 /nfs/dbraw/zinc/85/43/18/1225854318.db2.gz GASDCNMOFDHMAQ-RRFJBIMHSA-N 2 0 367.494 0.461 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)nc1=O ZINC001226889723 1225857211 /nfs/dbraw/zinc/85/72/11/1225857211.db2.gz BFBRVOIZLBBKRM-RBSFLKMASA-N 2 0 364.494 0.500 20 0 FCADRP CC[C@H](OC)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055539318 1219072820 /nfs/dbraw/zinc/07/28/20/1219072820.db2.gz LHMRDXHVPHCZBZ-OIISXLGYSA-N 2 0 368.522 0.448 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065784 1225862878 /nfs/dbraw/zinc/86/28/78/1225862878.db2.gz MDLQPEWQKXCRSU-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(C)(C)O)CC2)CC[N@@H+]1C ZINC001055583674 1219087955 /nfs/dbraw/zinc/08/79/55/1219087955.db2.gz XQTBKVVQBYVGNX-GDBMZVCRSA-N 2 0 368.522 0.184 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cn[nH]c3)CC2)CC[N@@H+]1C ZINC001055583440 1219088298 /nfs/dbraw/zinc/08/82/98/1219088298.db2.gz NWPZBMLZGMLZCE-CZUORRHYSA-N 2 0 362.478 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccoc3)CC2)CC[N@@H+]1C ZINC001055583557 1219088735 /nfs/dbraw/zinc/08/87/35/1219088735.db2.gz SCOUMPAEYQBDQL-RHSMWYFYSA-N 2 0 362.474 0.930 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804049243 1219102287 /nfs/dbraw/zinc/10/22/87/1219102287.db2.gz CAQCTDQGYQBSKY-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCOCC2)CC[N@@H+]1C ZINC001070133652 1219210147 /nfs/dbraw/zinc/21/01/47/1219210147.db2.gz JMCPWKXHDLDRTL-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070195012 1219287193 /nfs/dbraw/zinc/28/71/93/1219287193.db2.gz ZTOLQYKVFCBRKB-XHSDSOJGSA-N 2 0 364.494 0.265 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070196066 1219287252 /nfs/dbraw/zinc/28/72/52/1219287252.db2.gz IYEFYLXXNKUVMJ-KSZLIROESA-N 2 0 358.490 0.762 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070219802 1219302097 /nfs/dbraw/zinc/30/20/97/1219302097.db2.gz LAHJZBVSXBIZBQ-SQNIBIBYSA-N 2 0 369.473 0.699 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070260589 1219330734 /nfs/dbraw/zinc/33/07/34/1219330734.db2.gz NUUWBCZZTGSXPF-CVEARBPZSA-N 2 0 358.446 0.998 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070328325 1219378866 /nfs/dbraw/zinc/37/88/66/1219378866.db2.gz XCLXRPKQOKYMKJ-BBWFWOEESA-N 2 0 362.478 0.285 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2CC)n1 ZINC001070357333 1219395234 /nfs/dbraw/zinc/39/52/34/1219395234.db2.gz IJUOAXVDVWSZTC-ZNMIVQPWSA-N 2 0 364.494 0.777 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382549 1219407130 /nfs/dbraw/zinc/40/71/30/1219407130.db2.gz FJSPABDYHDDXIC-NUJGCVRESA-N 2 0 366.506 0.060 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1cn(C)cn1 ZINC001070493235 1219438148 /nfs/dbraw/zinc/43/81/48/1219438148.db2.gz PQVZGCFOIPVJIB-WMLDXEAASA-N 2 0 359.478 0.396 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070563927 1219470877 /nfs/dbraw/zinc/47/08/77/1219470877.db2.gz LYLRUUHUROWKSJ-SOLBZPMBSA-N 2 0 371.489 0.190 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001070563978 1219471609 /nfs/dbraw/zinc/47/16/09/1219471609.db2.gz OHWKTYJXCWCRBQ-YQQAZPJKSA-N 2 0 367.469 0.242 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCO ZINC001070647735 1219505574 /nfs/dbraw/zinc/50/55/74/1219505574.db2.gz AUSQUOPXJJQQAL-HZPDHXFCSA-N 2 0 363.506 0.561 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670184 1219517600 /nfs/dbraw/zinc/51/76/00/1219517600.db2.gz CCIQYJHIVDSRQX-DVLQGMHPSA-N 2 0 359.474 0.187 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCO ZINC001070671324 1219517899 /nfs/dbraw/zinc/51/78/99/1219517899.db2.gz IFFGNQIOVLHADF-NUJGCVRESA-N 2 0 361.490 0.171 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719319 1219541355 /nfs/dbraw/zinc/54/13/55/1219541355.db2.gz ZKUXISFJFMYVJX-DJIMGWMZSA-N 2 0 371.489 0.190 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913593 1219566918 /nfs/dbraw/zinc/56/69/18/1219566918.db2.gz QTISRBKLDVAQBZ-OAGGEKHMSA-N 2 0 364.490 0.985 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917815 1219572553 /nfs/dbraw/zinc/57/25/53/1219572553.db2.gz KXPQXPFJEUCENH-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071061266 1219597349 /nfs/dbraw/zinc/59/73/49/1219597349.db2.gz VPWZGXJBTCCMAK-QRVBRYPASA-N 2 0 367.534 0.942 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071072134 1219600349 /nfs/dbraw/zinc/60/03/49/1219600349.db2.gz ROYUETZUDNHCNG-MSOLQXFVSA-N 2 0 358.442 0.926 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC1 ZINC001071095578 1219605411 /nfs/dbraw/zinc/60/54/11/1219605411.db2.gz DHHVLYBROYXPPI-APWZRJJASA-N 2 0 366.506 0.189 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001228342350 1225912061 /nfs/dbraw/zinc/91/20/61/1225912061.db2.gz YXEWGWWNIDZAQM-KZNAEPCWSA-N 2 0 363.506 0.603 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001074713373 1219718000 /nfs/dbraw/zinc/71/80/00/1219718000.db2.gz SPHHMLWKNHWVBB-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001228366665 1225915494 /nfs/dbraw/zinc/91/54/94/1225915494.db2.gz VAIIXNCSKUEWQR-IAGOWNOFSA-N 2 0 361.490 0.667 20 0 FCADRP CC(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001098685968 1219810456 /nfs/dbraw/zinc/81/04/56/1219810456.db2.gz WAVMAZVMIOIKQL-DJIMGWMZSA-N 2 0 364.494 0.516 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000750120217 1219858195 /nfs/dbraw/zinc/85/81/95/1219858195.db2.gz QQZCIRDMPGUORI-FGYAAKKASA-N 2 0 368.566 0.294 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)CC1 ZINC001099008692 1219887875 /nfs/dbraw/zinc/88/78/75/1219887875.db2.gz LHHQSQVDWDJZED-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCC2)C3)CC1 ZINC001099062839 1219898673 /nfs/dbraw/zinc/89/86/73/1219898673.db2.gz JQIOWGJYGILWRH-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001099137866 1219925809 /nfs/dbraw/zinc/92/58/09/1219925809.db2.gz GOJXGQONXCBITN-WRSAYESZSA-N 2 0 359.430 0.037 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)NC(N)=O ZINC001228647787 1225939881 /nfs/dbraw/zinc/93/98/81/1225939881.db2.gz ZJSOGNCSSWCCLB-BFHYXJOUSA-N 2 0 369.510 0.565 20 0 FCADRP Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779044 1220148200 /nfs/dbraw/zinc/14/82/00/1220148200.db2.gz HRQIQUHLPKTJSW-ROUUACIJSA-N 2 0 373.501 0.959 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172038 1220208627 /nfs/dbraw/zinc/20/86/27/1220208627.db2.gz TZTMNRBZCPMDHC-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241268 1220241490 /nfs/dbraw/zinc/24/14/90/1220241490.db2.gz YJKNUWACNZODAY-HLIPFELVSA-N 2 0 362.518 0.635 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278392 1220264483 /nfs/dbraw/zinc/26/44/83/1220264483.db2.gz HFUHCXZMSIFDEG-APWZRJJASA-N 2 0 362.518 0.779 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278422 1220264749 /nfs/dbraw/zinc/26/47/49/1220264749.db2.gz IKYWKAFPNUNMRR-LMMKCTJWSA-N 2 0 365.518 0.650 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285247 1220266895 /nfs/dbraw/zinc/26/68/95/1220266895.db2.gz URZQOGCBYOKITR-JCGVRSQUSA-N 2 0 367.494 0.080 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305134 1220278622 /nfs/dbraw/zinc/27/86/22/1220278622.db2.gz GTACEGKZYBHGLS-FUPNPVLKSA-N 2 0 363.502 0.666 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342866 1220295469 /nfs/dbraw/zinc/29/54/69/1220295469.db2.gz QSROHIBFOXKSQG-CLCXKQKWSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429940 1220339610 /nfs/dbraw/zinc/33/96/10/1220339610.db2.gz HKTYGJJOBFJEHN-VPWXQRGCSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432391 1220341247 /nfs/dbraw/zinc/34/12/47/1220341247.db2.gz PZGFCNIXUKJVNH-CLCXKQKWSA-N 2 0 366.506 0.012 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432289 1220341820 /nfs/dbraw/zinc/34/18/20/1220341820.db2.gz KQDJTNNJBAZYCE-GJYPPUQNSA-N 2 0 368.522 0.389 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440504 1220346627 /nfs/dbraw/zinc/34/66/27/1220346627.db2.gz OLNGVRWBASJZCO-AOIWGVFYSA-N 2 0 363.506 0.366 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819555 1220409565 /nfs/dbraw/zinc/40/95/65/1220409565.db2.gz MUYBQWATYYHRBB-BFYDXBDKSA-N 2 0 362.474 0.674 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045137 1220476487 /nfs/dbraw/zinc/47/64/87/1220476487.db2.gz SSBJUZHUIJEXGE-KFWWJZLASA-N 2 0 367.494 0.128 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047768 1220476783 /nfs/dbraw/zinc/47/67/83/1220476783.db2.gz SBLUYGBGIQIZLY-QGPMSJSTSA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214903 1220557824 /nfs/dbraw/zinc/55/78/24/1220557824.db2.gz FWRKRFKABCPJHF-KFWWJZLASA-N 2 0 364.490 0.350 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273554 1220569265 /nfs/dbraw/zinc/56/92/65/1220569265.db2.gz GGLUXBGVYNPDDE-KURKYZTESA-N 2 0 371.522 0.443 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273514 1220569773 /nfs/dbraw/zinc/56/97/73/1220569773.db2.gz FCWMURYRWJZRJQ-ZACQAIPSSA-N 2 0 368.522 0.306 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288620 1220575474 /nfs/dbraw/zinc/57/54/74/1220575474.db2.gz MYCFZQNWWGUIPG-HZPDHXFCSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294442 1220577390 /nfs/dbraw/zinc/57/73/90/1220577390.db2.gz YMIOKBITBQQGDH-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320768 1220582101 /nfs/dbraw/zinc/58/21/01/1220582101.db2.gz SHHDCONOSIJBID-BZUAXINKSA-N 2 0 364.490 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370157 1220595375 /nfs/dbraw/zinc/59/53/75/1220595375.db2.gz SLAPFRQWLCUPAY-LZLYRXPVSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368526 1220597440 /nfs/dbraw/zinc/59/74/40/1220597440.db2.gz YCQIFWMEXKQHJG-OWCLPIDISA-N 2 0 364.490 0.304 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001102472012 1220641553 /nfs/dbraw/zinc/64/15/53/1220641553.db2.gz CSYSNZQSMXBTAZ-FMKPAKJESA-N 2 0 369.510 0.232 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102510969 1220670568 /nfs/dbraw/zinc/67/05/68/1220670568.db2.gz DBOGOIBUAVJYQT-NVXWUHKLSA-N 2 0 368.522 0.117 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513698 1220672131 /nfs/dbraw/zinc/67/21/31/1220672131.db2.gz XOSWKSSXNJQJRF-HZPDHXFCSA-N 2 0 370.538 0.411 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102513861 1220672694 /nfs/dbraw/zinc/67/26/94/1220672694.db2.gz DKZQTFNLTFJUCE-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514393 1220673205 /nfs/dbraw/zinc/67/32/05/1220673205.db2.gz WASFCVKADITCJG-ZTFGCOKTSA-N 2 0 362.522 0.921 20 0 FCADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514399 1220673290 /nfs/dbraw/zinc/67/32/90/1220673290.db2.gz WCPIHGIKIZPSEU-KZNAEPCWSA-N 2 0 367.534 0.800 20 0 FCADRP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514141 1220673297 /nfs/dbraw/zinc/67/32/97/1220673297.db2.gz OHCFCZLFFOLPDO-BFYDXBDKSA-N 2 0 362.518 0.681 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524427 1220680513 /nfs/dbraw/zinc/68/05/13/1220680513.db2.gz FCAVXQOZNCKCOV-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102525696 1220681495 /nfs/dbraw/zinc/68/14/95/1220681495.db2.gz QBRUVERVJCQEEU-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580996 1220703235 /nfs/dbraw/zinc/70/32/35/1220703235.db2.gz UYQTVLYINZQPQH-BRWVUGGUSA-N 2 0 368.522 0.117 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580284 1220704270 /nfs/dbraw/zinc/70/42/70/1220704270.db2.gz ORXIARYPMWVWAQ-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102601021 1220723459 /nfs/dbraw/zinc/72/34/59/1220723459.db2.gz HBBYJSFDOIHXQV-HZPDHXFCSA-N 2 0 364.490 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001229239058 1225992442 /nfs/dbraw/zinc/99/24/42/1225992442.db2.gz VZPOGGXHPMJQAG-HUUCEWRRSA-N 2 0 367.494 0.287 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993966 1220817521 /nfs/dbraw/zinc/81/75/21/1220817521.db2.gz NQYKESYUBNUIGG-QGPMSJSTSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993601 1220817761 /nfs/dbraw/zinc/81/77/61/1220817761.db2.gz CGHAPPLAYAQCBG-KYJSFNMBSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083956 1220831068 /nfs/dbraw/zinc/83/10/68/1220831068.db2.gz QITBUNIUYUAFOJ-RBSFLKMASA-N 2 0 364.490 0.350 20 0 FCADRP COCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249903 1220856711 /nfs/dbraw/zinc/85/67/11/1220856711.db2.gz XBLDOZZNOKJXMF-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249420 1220856875 /nfs/dbraw/zinc/85/68/75/1220856875.db2.gz HFVIXBVOWJCMKZ-QUJXQBBWSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398123 1220877006 /nfs/dbraw/zinc/87/70/06/1220877006.db2.gz DLNIISMYUHAVSG-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001103448251 1220884675 /nfs/dbraw/zinc/88/46/75/1220884675.db2.gz CSSUFHUWQJECRL-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646965 1220926935 /nfs/dbraw/zinc/92/69/35/1220926935.db2.gz NTLMJLFPXAUIOB-IAGOWNOFSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647130 1220927152 /nfs/dbraw/zinc/92/71/52/1220927152.db2.gz VVWOYYGEVAKWSR-NVXWUHKLSA-N 2 0 362.518 0.683 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646682 1220927509 /nfs/dbraw/zinc/92/75/09/1220927509.db2.gz FKXDCAHJWMBLIT-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103662807 1220932823 /nfs/dbraw/zinc/93/28/23/1220932823.db2.gz SBSJIZJTNFECHK-HUUCEWRRSA-N 2 0 366.510 0.415 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1 ZINC001229389906 1226009026 /nfs/dbraw/zinc/00/90/26/1226009026.db2.gz VILBPCVZFDFZFM-IAGOWNOFSA-N 2 0 366.506 0.393 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001229389138 1226007544 /nfs/dbraw/zinc/00/75/44/1226007544.db2.gz JYORVOQGOCAYDO-DJIMGWMZSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CC1 ZINC001111855704 1221137275 /nfs/dbraw/zinc/13/72/75/1221137275.db2.gz JBAIWYAGEUVBIQ-NJSLBKSFSA-N 2 0 362.474 0.104 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001111853406 1221137960 /nfs/dbraw/zinc/13/79/60/1221137960.db2.gz XATSQPSUJXBVPT-YWZLYKJASA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111870734 1221143700 /nfs/dbraw/zinc/14/37/00/1221143700.db2.gz LVZUYBZLORTVED-SYNHAJSKSA-N 2 0 362.518 0.825 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCOCC1)C2 ZINC001111952713 1221183156 /nfs/dbraw/zinc/18/31/56/1221183156.db2.gz WWZLEUYLNXMSAI-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(N(C)C)n1 ZINC000784395076 1221241691 /nfs/dbraw/zinc/24/16/91/1221241691.db2.gz XDLUIMSCPXKQMA-UHFFFAOYSA-N 2 0 364.494 0.346 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112429350 1221257937 /nfs/dbraw/zinc/25/79/37/1221257937.db2.gz XBOYAIUHGCOMHF-SCTDSRPQSA-N 2 0 360.506 0.981 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447343 1221261979 /nfs/dbraw/zinc/26/19/79/1221261979.db2.gz RYLJIRZGBPXWHP-LPHOPBHVSA-N 2 0 362.518 0.921 20 0 FCADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710752 1226029565 /nfs/dbraw/zinc/02/95/65/1226029565.db2.gz SQMPRTLCKNBXPR-HZPDHXFCSA-N 2 0 366.510 0.702 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229715914 1226030445 /nfs/dbraw/zinc/03/04/45/1226030445.db2.gz CBYKLAYWVQAMLU-HZPDHXFCSA-N 2 0 366.506 0.252 20 0 FCADRP COC[C@@](C)(CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001116182972 1221341197 /nfs/dbraw/zinc/34/11/97/1221341197.db2.gz DZVPYTVTLYUGGK-LJQANCHMSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H](CCN1CC[NH+](CC(C)(C)O)CC1)N1CC[NH+](CC(C)(C)O)CC1 ZINC001116326289 1221353607 /nfs/dbraw/zinc/35/36/07/1221353607.db2.gz PRIURZXKOANPLR-GOSISDBHSA-N 2 0 370.582 0.542 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC001116478317 1221366003 /nfs/dbraw/zinc/36/60/03/1221366003.db2.gz ZIDUUUICRBQOKN-CQSZACIVSA-N 2 0 362.478 0.546 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC001116971880 1221413722 /nfs/dbraw/zinc/41/37/22/1221413722.db2.gz YROCETRQDDPPNN-IAGOWNOFSA-N 2 0 366.506 0.081 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117311822 1221514769 /nfs/dbraw/zinc/51/47/69/1221514769.db2.gz OXONFOVVFRGRHW-SJORKVTESA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001230150238 1226059114 /nfs/dbraw/zinc/05/91/14/1226059114.db2.gz YOSVKGSXYLIGDG-GVDBMIGSSA-N 2 0 366.506 0.204 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccnc(N3CCCC3)c1)C2 ZINC001118266596 1221746924 /nfs/dbraw/zinc/74/69/24/1221746924.db2.gz LADGIOUGPGJQFQ-JXFKEZNVSA-N 2 0 371.485 0.885 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001230266330 1226069670 /nfs/dbraw/zinc/06/96/70/1226069670.db2.gz BBRPKLZNFMGFOP-BZUAXINKSA-N 2 0 364.490 0.685 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001118928349 1221845647 /nfs/dbraw/zinc/84/56/47/1221845647.db2.gz LFZRJQJIRFLLER-FZDBZEDMSA-N 2 0 364.534 0.833 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119065746 1221861924 /nfs/dbraw/zinc/86/19/24/1221861924.db2.gz AXQALQQCQAXKGD-OXQOHEQNSA-N 2 0 370.453 0.552 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC001119349225 1221903228 /nfs/dbraw/zinc/90/32/28/1221903228.db2.gz NFLOBLFWUWTFNL-BRWVUGGUSA-N 2 0 366.506 0.081 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119352463 1221903905 /nfs/dbraw/zinc/90/39/05/1221903905.db2.gz MBGRYUNJEFNYTB-RDJZCZTQSA-N 2 0 361.490 0.748 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119424865 1221916203 /nfs/dbraw/zinc/91/62/03/1221916203.db2.gz LHAUXQYGUDJFNP-QZTJIDSGSA-N 2 0 369.554 0.798 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001119429692 1221917113 /nfs/dbraw/zinc/91/71/13/1221917113.db2.gz XLMPKOVGBDXDKV-ZWKOTPCHSA-N 2 0 356.470 0.514 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)c2)CC1 ZINC001120376894 1222074231 /nfs/dbraw/zinc/07/42/31/1222074231.db2.gz NQNCBLWCBVVOFD-UXHICEINSA-N 2 0 363.502 0.426 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)c2)CC1 ZINC001120376896 1222074632 /nfs/dbraw/zinc/07/46/32/1222074632.db2.gz NQNCBLWCBVVOFD-WOJBJXKFSA-N 2 0 363.502 0.426 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC001120543543 1222103088 /nfs/dbraw/zinc/10/30/88/1222103088.db2.gz AEQISPJGCZECPY-MSOLQXFVSA-N 2 0 374.485 0.959 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC001120557700 1222103625 /nfs/dbraw/zinc/10/36/25/1222103625.db2.gz MJSZPDVKODEYMB-MAUKXSAKSA-N 2 0 361.490 0.349 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122009541 1222233372 /nfs/dbraw/zinc/23/33/72/1222233372.db2.gz TUARIFJIALKFKF-LJQANCHMSA-N 2 0 359.518 0.344 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123506141 1222336504 /nfs/dbraw/zinc/33/65/04/1222336504.db2.gz VPEMAXGVQVMBHA-JQHSSLGASA-N 2 0 367.538 0.563 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001123637559 1222345678 /nfs/dbraw/zinc/34/56/78/1222345678.db2.gz VXKYFGAMDRFBSQ-NCXUSEDFSA-N 2 0 363.550 0.392 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)N1CC[NH+](C)CC1 ZINC001123790427 1222356950 /nfs/dbraw/zinc/35/69/50/1222356950.db2.gz ZADQQZQQEYTKLR-KRWDZBQOSA-N 2 0 362.522 0.791 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001123886522 1222363252 /nfs/dbraw/zinc/36/32/52/1222363252.db2.gz QPPGUNKYXKSEQI-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C[C@H]2C1 ZINC001161175944 1222398792 /nfs/dbraw/zinc/39/87/92/1222398792.db2.gz PXRSHMMXNTVYPY-KURKYZTESA-N 2 0 358.486 0.473 20 0 FCADRP [NH3+][C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000829500349 1222439153 /nfs/dbraw/zinc/43/91/53/1222439153.db2.gz KWTWAOIKZIBFHC-HOTGVXAUSA-N 2 0 374.489 0.526 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)CC1 ZINC001140971357 1222626221 /nfs/dbraw/zinc/62/62/21/1222626221.db2.gz RTGQQKYWAQIFEC-UHFFFAOYSA-N 2 0 359.518 0.820 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109925 1222808102 /nfs/dbraw/zinc/80/81/02/1222808102.db2.gz OIUKLAYKASSHCH-PBHICJAKSA-N 2 0 360.458 0.905 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151986 1222810246 /nfs/dbraw/zinc/81/02/46/1222810246.db2.gz PDALQLZGBFKMRO-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000841178281 1222811852 /nfs/dbraw/zinc/81/18/52/1222811852.db2.gz FGZHGRDMQGQNLI-YJBOKZPZSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841185861 1222812328 /nfs/dbraw/zinc/81/23/28/1222812328.db2.gz AANYNSBDEZYALI-QGZVFWFLSA-N 2 0 359.474 0.717 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000841230512 1222815153 /nfs/dbraw/zinc/81/51/53/1222815153.db2.gz AIYPLYZEODYVEI-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841227466 1222815180 /nfs/dbraw/zinc/81/51/80/1222815180.db2.gz DIUWVWKWXLNOTR-OAHLLOKOSA-N 2 0 361.490 0.881 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847555 1222830027 /nfs/dbraw/zinc/83/00/27/1222830027.db2.gz RLNUSQULYOZJDU-INIZCTEOSA-N 2 0 374.441 0.402 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842274686 1222846282 /nfs/dbraw/zinc/84/62/82/1222846282.db2.gz YGDXDDJQYKLIHM-QZTJIDSGSA-N 2 0 360.502 0.863 20 0 FCADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843047565 1222857484 /nfs/dbraw/zinc/85/74/84/1222857484.db2.gz WTGOTQBPAQUFDU-INIZCTEOSA-N 2 0 360.458 0.195 20 0 FCADRP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000843265399 1222868472 /nfs/dbraw/zinc/86/84/72/1222868472.db2.gz GAJNBRPWJXSISC-QGZVFWFLSA-N 2 0 367.538 0.249 20 0 FCADRP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2C1=O ZINC000843364070 1222873866 /nfs/dbraw/zinc/87/38/66/1222873866.db2.gz OJGDDUANTVHROQ-UHFFFAOYSA-N 2 0 356.426 0.926 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ccnc(N4CCOCC4)n3)C[C@H]1C2 ZINC001154632889 1223013485 /nfs/dbraw/zinc/01/34/85/1223013485.db2.gz OYBDUAMCPLJKPN-GJRWTSMGSA-N 2 0 373.457 0.148 20 0 FCADRP CCc1cc(NCc2nnc3n2CCC[NH2+]C3)nc(N2CCOCC2)[nH+]1 ZINC001155430687 1223035350 /nfs/dbraw/zinc/03/53/50/1223035350.db2.gz MTMNDHXHEVFCQV-UHFFFAOYSA-N 2 0 358.450 0.573 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccn2c(c1)nnc2C1CCOCC1 ZINC001156404097 1223056168 /nfs/dbraw/zinc/05/61/68/1223056168.db2.gz HJOQCHNXUFWTTJ-UHFFFAOYSA-N 2 0 359.434 0.698 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc3[nH]c(N)nc3c1)CC2 ZINC001156970431 1223064070 /nfs/dbraw/zinc/06/40/70/1223064070.db2.gz BGYCAXHENHBPQO-UHFFFAOYSA-N 2 0 370.457 0.962 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992451 1223064781 /nfs/dbraw/zinc/06/47/81/1223064781.db2.gz LETDHLIBCXHKTI-ZVDOUQERSA-N 2 0 373.497 0.681 20 0 FCADRP CN1CCN(c2nccc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)n2)CC1 ZINC001157848015 1223082698 /nfs/dbraw/zinc/08/26/98/1223082698.db2.gz NBOCYBBKILYKHN-UHFFFAOYSA-N 2 0 373.549 0.692 20 0 FCADRP CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@](C)(CO)C1 ZINC001157926516 1223084266 /nfs/dbraw/zinc/08/42/66/1223084266.db2.gz QBXMGBAHKKOELL-YZVOILCLSA-N 2 0 368.522 0.443 20 0 FCADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960441 1223085188 /nfs/dbraw/zinc/08/51/88/1223085188.db2.gz KJBOWFWICVUAAM-SJORKVTESA-N 2 0 366.469 0.702 20 0 FCADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158168791 1223090131 /nfs/dbraw/zinc/09/01/31/1223090131.db2.gz OMRXDMOAQMDSQE-VQIMIIECSA-N 2 0 370.457 0.748 20 0 FCADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001158249832 1223091487 /nfs/dbraw/zinc/09/14/87/1223091487.db2.gz PHEJORPIFQVXSE-HZPDHXFCSA-N 2 0 359.474 0.482 20 0 FCADRP [NH3+][C@H]1CCN(C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001158260633 1223092240 /nfs/dbraw/zinc/09/22/40/1223092240.db2.gz GNNVLXSOXTXMRF-HNNXBMFYSA-N 2 0 358.490 0.129 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001158277141 1223093292 /nfs/dbraw/zinc/09/32/92/1223093292.db2.gz JUSCDLBAVPNGMR-MRXNPFEDSA-N 2 0 370.457 0.798 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001158403330 1223096571 /nfs/dbraw/zinc/09/65/71/1223096571.db2.gz FOXGKNSTGLSVES-DLBZAZTESA-N 2 0 361.490 0.524 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158415764 1223097386 /nfs/dbraw/zinc/09/73/86/1223097386.db2.gz ODMTWYKBVNVOFF-GBESFXJTSA-N 2 0 369.469 0.890 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C3(N)CC[NH2+]CC3)CC2)CC1 ZINC001158512984 1223100856 /nfs/dbraw/zinc/10/08/56/1223100856.db2.gz FCRJZHQPOVHQEH-UHFFFAOYSA-N 2 0 366.506 0.333 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1 ZINC001158534891 1223101803 /nfs/dbraw/zinc/10/18/03/1223101803.db2.gz VHHCLZCIJGVFBY-ZNWBIBPKSA-N 2 0 359.470 0.935 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555946 1223102103 /nfs/dbraw/zinc/10/21/03/1223102103.db2.gz QKJXIXUKVOTDPP-DKXUYOFUSA-N 2 0 370.497 0.930 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548282 1223102345 /nfs/dbraw/zinc/10/23/45/1223102345.db2.gz RWXULZJWPBOYIF-JYJIFUJCSA-N 2 0 357.454 0.861 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1=O ZINC001158556006 1223102479 /nfs/dbraw/zinc/10/24/79/1223102479.db2.gz RLMDOEZCURARND-LQWHRVPQSA-N 2 0 370.497 0.932 20 0 FCADRP C[NH+]1CCC(N(c2ccc(N3CC[NH+](C)CC3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158574997 1223103111 /nfs/dbraw/zinc/10/31/11/1223103111.db2.gz FKOCWBQHWGPMDF-UHFFFAOYSA-N 3 0 373.549 0.881 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158660461 1223104982 /nfs/dbraw/zinc/10/49/82/1223104982.db2.gz SJQDWSDTJRAIAK-UHFFFAOYSA-N 2 0 354.414 0.643 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158698966 1223105467 /nfs/dbraw/zinc/10/54/67/1223105467.db2.gz WDUKGRQUVZJAFB-HNNXBMFYSA-N 3 0 360.506 0.219 20 0 FCADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158842933 1223111092 /nfs/dbraw/zinc/11/10/92/1223111092.db2.gz PPXNMTOGWFGBND-PBHICJAKSA-N 2 0 372.473 0.776 20 0 FCADRP Cn1ncc2c1CN(C(=O)C[NH2+]CCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158855078 1223111591 /nfs/dbraw/zinc/11/15/91/1223111591.db2.gz BTAIKGGUYHACLZ-AWEZNQCLSA-N 2 0 358.446 0.258 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935673 1223113430 /nfs/dbraw/zinc/11/34/30/1223113430.db2.gz YYTUKYNTDXWGFN-JZXOWHBKSA-N 2 0 357.458 0.110 20 0 FCADRP CC(C)Oc1ncnc2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001158959087 1223113958 /nfs/dbraw/zinc/11/39/58/1223113958.db2.gz OUXDJCIMWMRRJP-AUUYWEPGSA-N 2 0 359.474 0.390 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)C1 ZINC001159030766 1223115663 /nfs/dbraw/zinc/11/56/63/1223115663.db2.gz VBLLGTQDJPTHOV-ZBFHGGJFSA-N 2 0 357.458 0.112 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135064 1223118714 /nfs/dbraw/zinc/11/87/14/1223118714.db2.gz RCNDRVRAXJIYQT-VQIMIIECSA-N 2 0 359.474 0.631 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157451 1223118889 /nfs/dbraw/zinc/11/88/89/1223118889.db2.gz GVMQMKFDYPHURF-UHFFFAOYSA-N 2 0 361.494 0.517 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157801 1223119433 /nfs/dbraw/zinc/11/94/33/1223119433.db2.gz IYOFXETXEGJMBI-INIZCTEOSA-N 3 0 362.522 0.710 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236318 1223121499 /nfs/dbraw/zinc/12/14/99/1223121499.db2.gz OHQBZPLBCWBLNV-HNNXBMFYSA-N 3 0 357.462 0.023 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(OCC3CC[NH2+]CC3)nn2)O1 ZINC001159245883 1223121842 /nfs/dbraw/zinc/12/18/42/1223121842.db2.gz XJJWHDAXDFDQKK-IIDMSEBBSA-N 2 0 365.478 0.992 20 0 FCADRP [NH3+]C1CCN(c2ncccc2Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC001159261723 1223122266 /nfs/dbraw/zinc/12/22/66/1223122266.db2.gz QISYLJZVHGTLCI-UHFFFAOYSA-N 2 0 354.462 0.952 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159330214 1223124552 /nfs/dbraw/zinc/12/45/52/1223124552.db2.gz PTRSWQUUIVTIJL-HIFRSBDPSA-N 2 0 366.437 0.816 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402225 1223125885 /nfs/dbraw/zinc/12/58/85/1223125885.db2.gz FVQGBSCBGGWSOQ-ZOFXXKQRSA-N 2 0 359.474 0.822 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001159472576 1223127806 /nfs/dbraw/zinc/12/78/06/1223127806.db2.gz WHRCQDKOFZNPFL-HNBVOPMISA-N 2 0 362.518 0.145 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159472864 1223127826 /nfs/dbraw/zinc/12/78/26/1223127826.db2.gz ZKWXXCMKGCMESR-ZHALLVOQSA-N 3 0 362.518 0.002 20 0 FCADRP O=C([C@H]1CCC2(C[NH2+]C2)O1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549151 1223129166 /nfs/dbraw/zinc/12/91/66/1223129166.db2.gz LCYCFDCECDIMEU-QGZVFWFLSA-N 2 0 359.474 0.779 20 0 FCADRP [NH3+]CCOCCOCC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549885 1223129582 /nfs/dbraw/zinc/12/95/82/1223129582.db2.gz UQZPJZCOKOALQP-UHFFFAOYSA-N 2 0 365.478 0.249 20 0 FCADRP C[C@]1(C(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)CC[NH2+]C[C@H]1O ZINC001159549536 1223129601 /nfs/dbraw/zinc/12/96/01/1223129601.db2.gz ONZJNRYCTPVGSY-MJGOQNOKSA-N 2 0 361.490 0.618 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585327 1223130488 /nfs/dbraw/zinc/13/04/88/1223130488.db2.gz PXJLTZKBSVLRNK-QAPCUYQASA-N 2 0 361.490 0.595 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159600694 1223130933 /nfs/dbraw/zinc/13/09/33/1223130933.db2.gz WSPYMOCWMFICBG-YYIAUSFCSA-N 2 0 366.506 0.188 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159608180 1223131444 /nfs/dbraw/zinc/13/14/44/1223131444.db2.gz GJOAKUFOYFZCJM-OCCSQVGLSA-N 2 0 362.478 0.375 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)CC[C@@H]2C1 ZINC001159635392 1223131650 /nfs/dbraw/zinc/13/16/50/1223131650.db2.gz MUQFRIRFLWZQSA-BRWVUGGUSA-N 2 0 371.522 0.715 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667535 1223132746 /nfs/dbraw/zinc/13/27/46/1223132746.db2.gz UXMGBROWSYVKOL-QZTJIDSGSA-N 2 0 356.470 0.883 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159664059 1223132755 /nfs/dbraw/zinc/13/27/55/1223132755.db2.gz VILDWLXITAXYOJ-IIAWOOMASA-N 2 0 364.446 0.035 20 0 FCADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@@H]32)C1=O ZINC001159687833 1223133990 /nfs/dbraw/zinc/13/39/90/1223133990.db2.gz IOXCEKMWRVAXLZ-PASDCYSWSA-N 2 0 363.506 0.721 20 0 FCADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H]([NH3+])C4CC[NH2+]CC4)C[C@@H]32)C1=O ZINC001159687933 1223134023 /nfs/dbraw/zinc/13/40/23/1223134023.db2.gz LWOLSOLHCZFBJA-PASDCYSWSA-N 2 0 361.490 0.201 20 0 FCADRP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159696270 1223134056 /nfs/dbraw/zinc/13/40/56/1223134056.db2.gz ITVGZYXBQWSSFD-AKCHCHLHSA-N 2 0 373.501 0.912 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159799665 1223137086 /nfs/dbraw/zinc/13/70/86/1223137086.db2.gz SSLCEQKXESAJJH-CVEARBPZSA-N 2 0 359.478 0.455 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)C1CC[NH2+]CC1 ZINC001159905323 1223139544 /nfs/dbraw/zinc/13/95/44/1223139544.db2.gz LVIZRRUEMXETFJ-AOIWGVFYSA-N 2 0 360.458 0.547 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21)C1CC[NH2+]CC1 ZINC001160025891 1223142856 /nfs/dbraw/zinc/14/28/56/1223142856.db2.gz FEQQLQBKJYXLNM-WCXIOVBPSA-N 2 0 364.490 0.084 20 0 FCADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001160049452 1223143539 /nfs/dbraw/zinc/14/35/39/1223143539.db2.gz GPHOLERBHRCIGU-HDMKZQKVSA-N 2 0 369.510 0.254 20 0 FCADRP Cc1ccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054321 1223143565 /nfs/dbraw/zinc/14/35/65/1223143565.db2.gz ZMEDMACIVFJGSM-MAUKXSAKSA-N 2 0 374.489 0.110 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160049593 1223143611 /nfs/dbraw/zinc/14/36/11/1223143611.db2.gz BGBCMTQCVFWRHN-UHFFFAOYSA-N 2 0 357.502 0.801 20 0 FCADRP [NH3+][C@H](C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)C1CC[NH2+]CC1 ZINC001160139083 1223146444 /nfs/dbraw/zinc/14/64/44/1223146444.db2.gz ULOOBABXYDULDC-NBMJBFSESA-N 3 0 373.501 0.509 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O)C1CC[NH2+]CC1 ZINC001160156145 1223147235 /nfs/dbraw/zinc/14/72/35/1223147235.db2.gz OBONQPAWAONUDO-SFHVURJKSA-N 2 0 370.497 0.795 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160230073 1223150793 /nfs/dbraw/zinc/15/07/93/1223150793.db2.gz HDSLJZKILBQOQD-MRXNPFEDSA-N 2 0 368.432 0.479 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160229840 1223150880 /nfs/dbraw/zinc/15/08/80/1223150880.db2.gz DEPKVUOSZRWESC-XJKSGUPXSA-N 2 0 368.432 0.607 20 0 FCADRP CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001160275368 1223153134 /nfs/dbraw/zinc/15/31/34/1223153134.db2.gz VFVKGNVSYRRLQB-KRWDZBQOSA-N 2 0 358.486 0.932 20 0 FCADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CCC2 ZINC001160324403 1223155138 /nfs/dbraw/zinc/15/51/38/1223155138.db2.gz UYRXABSZMCNPMV-OAHLLOKOSA-N 2 0 374.489 0.126 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160354103 1223155775 /nfs/dbraw/zinc/15/57/75/1223155775.db2.gz SAOHFOFTFMXGSG-AWEZNQCLSA-N 2 0 372.429 0.663 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160407770 1223157755 /nfs/dbraw/zinc/15/77/55/1223157755.db2.gz CNZAOLURWJWXNX-KBPBESRZSA-N 2 0 373.436 0.647 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]21 ZINC001160423943 1223159046 /nfs/dbraw/zinc/15/90/46/1223159046.db2.gz NYOXWQZPBUEWJS-WSIUPNEHSA-N 2 0 358.486 0.721 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160444406 1223159682 /nfs/dbraw/zinc/15/96/82/1223159682.db2.gz VXQFNAAYRPVATK-BHYGNILZSA-N 2 0 354.454 0.517 20 0 FCADRP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160434818 1223159983 /nfs/dbraw/zinc/15/99/83/1223159983.db2.gz HOFBYRSJFGDLML-BEFAXECRSA-N 2 0 368.441 0.789 20 0 FCADRP C[NH2+]CC1CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CC1 ZINC001160460002 1223160523 /nfs/dbraw/zinc/16/05/23/1223160523.db2.gz VQETXJSKOZIUJP-INIZCTEOSA-N 2 0 358.446 0.462 20 0 FCADRP C[NH2+]CC1CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CC1 ZINC001160460003 1223160756 /nfs/dbraw/zinc/16/07/56/1223160756.db2.gz VQETXJSKOZIUJP-MRXNPFEDSA-N 2 0 358.446 0.462 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(CCc2ccncc2)CC1 ZINC001160490634 1223162681 /nfs/dbraw/zinc/16/26/81/1223162681.db2.gz VLSIRVSRNJSHRY-SFHVURJKSA-N 2 0 357.502 0.643 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc[nH+]cc1 ZINC001160612422 1223166618 /nfs/dbraw/zinc/16/66/18/1223166618.db2.gz GIYGNVGTWDOZHH-OAHLLOKOSA-N 2 0 365.478 0.877 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661214 1223168194 /nfs/dbraw/zinc/16/81/94/1223168194.db2.gz NRWBALLLESXKSU-SCTDSRPQSA-N 2 0 369.465 0.667 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160710515 1223169095 /nfs/dbraw/zinc/16/90/95/1223169095.db2.gz OJHJNPQAUYHFKP-IBGZPJMESA-N 3 0 354.498 0.845 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160705369 1223169111 /nfs/dbraw/zinc/16/91/11/1223169111.db2.gz WKLFZQNHJIVDSL-QGZVFWFLSA-N 3 0 357.502 0.405 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1C2 ZINC001160797903 1223173600 /nfs/dbraw/zinc/17/36/00/1223173600.db2.gz WLPWCAUGAFRBNA-RAHOYGQLSA-N 2 0 361.486 0.764 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CC34CCOCC4)C[C@H]1C[NH2+]CC2 ZINC001160811119 1223174637 /nfs/dbraw/zinc/17/46/37/1223174637.db2.gz JOMBFRGMHVIKPY-SPYBWZPUSA-N 2 0 365.474 0.004 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806596 1223174686 /nfs/dbraw/zinc/17/46/86/1223174686.db2.gz RULBRINJCJMIDF-KRWDZBQOSA-N 2 0 360.506 0.131 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160840425 1223177069 /nfs/dbraw/zinc/17/70/69/1223177069.db2.gz WDVQKMGTQNOYGX-HNNXBMFYSA-N 2 0 361.494 0.182 20 0 FCADRP CO[C@H](CN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904454 1223180162 /nfs/dbraw/zinc/18/01/62/1223180162.db2.gz GJYAZLGVERONRY-ZWKOTPCHSA-N 2 0 358.486 0.327 20 0 FCADRP O=C([C@H](c1ccco1)N1CCC[NH2+]CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999555 1223182337 /nfs/dbraw/zinc/18/23/37/1223182337.db2.gz HLCCRMXINNQYFG-IRXDYDNUSA-N 2 0 362.474 0.331 20 0 FCADRP O=C(N(c1ncnc2ccccc21)C1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001161089920 1223185879 /nfs/dbraw/zinc/18/58/79/1223185879.db2.gz JCEBAVYBRBKLDB-JLTOFOAXSA-N 2 0 366.469 0.666 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161157791 1223187863 /nfs/dbraw/zinc/18/78/63/1223187863.db2.gz JVAHYATYZNXZPG-OXQOHEQNSA-N 2 0 374.485 0.453 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371156 1223197244 /nfs/dbraw/zinc/19/72/44/1223197244.db2.gz BGTIWXUFSBMNPW-DLBZAZTESA-N 2 0 372.517 0.158 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390487 1223197730 /nfs/dbraw/zinc/19/77/30/1223197730.db2.gz YTJXUUXHLUKMRF-RDJZCZTQSA-N 2 0 357.458 0.756 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413063 1223198452 /nfs/dbraw/zinc/19/84/52/1223198452.db2.gz NURULEVTJUPLON-VHPHOLNESA-N 2 0 370.497 0.743 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414427 1223198486 /nfs/dbraw/zinc/19/84/86/1223198486.db2.gz WUDRHHCIAPGBNC-AWOKKLPBSA-N 2 0 369.469 0.350 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001161449813 1223199583 /nfs/dbraw/zinc/19/95/83/1223199583.db2.gz SUIWJFZWJPXQQC-QYZOEREBSA-N 3 0 362.518 0.450 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC001161449142 1223199603 /nfs/dbraw/zinc/19/96/03/1223199603.db2.gz KBIFJYFRPKWIKL-DLBZAZTESA-N 3 0 368.522 0.389 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])c1cccc(OC)c1)CC2 ZINC001161480224 1223201042 /nfs/dbraw/zinc/20/10/42/1223201042.db2.gz OGKBLUCQPHZDDQ-GPMSIDNRSA-N 2 0 361.442 0.839 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)CC2 ZINC001161481611 1223201439 /nfs/dbraw/zinc/20/14/39/1223201439.db2.gz YNAAIHQCUHVJCB-HDMKZQKVSA-N 2 0 367.396 0.588 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(OC)ccc31)CC2 ZINC001161481658 1223201659 /nfs/dbraw/zinc/20/16/59/1223201659.db2.gz YVFMJMBROWZSJZ-ZWOKBUDYSA-N 2 0 373.453 0.636 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596768 1223205718 /nfs/dbraw/zinc/20/57/18/1223205718.db2.gz AZNJCZJGIQQEPZ-GOSISDBHSA-N 3 0 357.502 0.358 20 0 FCADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001161602206 1223205753 /nfs/dbraw/zinc/20/57/53/1223205753.db2.gz URJCTNUQCYLDLI-CYBMUJFWSA-N 2 0 361.446 0.313 20 0 FCADRP CCC(CC)[C@@H](Nc1cc(C[NH3+])ncn1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001161917603 1223209073 /nfs/dbraw/zinc/20/90/73/1223209073.db2.gz LHWGQEGCVSPXPL-IHWGESPNSA-N 2 0 365.478 0.649 20 0 FCADRP CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275506 1223212855 /nfs/dbraw/zinc/21/28/55/1223212855.db2.gz UYFWUQHQGYHIKR-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1nccc1C[NH3+] ZINC001162590869 1223218162 /nfs/dbraw/zinc/21/81/62/1223218162.db2.gz GNPXGKIIDWYXGF-CYBMUJFWSA-N 2 0 361.446 0.832 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001162541536 1223218171 /nfs/dbraw/zinc/21/81/71/1223218171.db2.gz ZSELKDQNIIDXMP-UHFFFAOYSA-N 2 0 357.414 0.553 20 0 FCADRP C[C@H]([NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001162809972 1223220178 /nfs/dbraw/zinc/22/01/78/1223220178.db2.gz ALLLWVGMNBPAAJ-LZLYRXPVSA-N 2 0 360.502 0.861 20 0 FCADRP c1ncc([C@@H]2C[NH+]3CCC2CC3)nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017112 1223224013 /nfs/dbraw/zinc/22/40/13/1223224013.db2.gz RRMYEHAACIXANC-CQSZACIVSA-N 2 0 354.462 0.983 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(NCc3nnc4n3CCC[NH2+]C4)cc2)CC1 ZINC001163027981 1223224493 /nfs/dbraw/zinc/22/44/93/1223224493.db2.gz RVSPVJCJHMGWPR-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP [NH3+]CCCC[C@H](Nc1cncc(N2CC[NH2+]CC2)n1)C(=O)N1CCCC1 ZINC001163456540 1223230663 /nfs/dbraw/zinc/23/06/63/1223230663.db2.gz FYYUEJGRGUNGGZ-HNNXBMFYSA-N 2 0 361.494 0.418 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001164575612 1223240081 /nfs/dbraw/zinc/24/00/81/1223240081.db2.gz DCJZDLUEMGAZNR-IXDOHACOSA-N 2 0 363.506 0.460 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC001164582018 1223240289 /nfs/dbraw/zinc/24/02/89/1223240289.db2.gz CFQAKWZZAQEIAO-UKRRQHHQSA-N 2 0 361.494 0.724 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC001164582386 1223240339 /nfs/dbraw/zinc/24/03/39/1223240339.db2.gz KAOBEGXAHVEFLC-QLFBSQMISA-N 2 0 363.510 0.878 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)[nH+]2)CC1 ZINC001165311950 1223244438 /nfs/dbraw/zinc/24/44/38/1223244438.db2.gz YCNPZGYAKQQZQA-UHFFFAOYSA-N 3 0 368.489 0.700 20 0 FCADRP Cc1nc2c(n1-c1nc(N3CCOCC3)[nH+]c3c1CCN3)CC[NH2+]CC2 ZINC001165353278 1223245148 /nfs/dbraw/zinc/24/51/48/1223245148.db2.gz NWAVGZVIZZQCEE-UHFFFAOYSA-N 2 0 355.446 0.464 20 0 FCADRP COC(=O)C1(Nc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)CC[NH2+]CC1 ZINC001166946892 1223289891 /nfs/dbraw/zinc/28/98/91/1223289891.db2.gz DHLGRZDUEUFQIM-OAHLLOKOSA-N 2 0 358.442 0.544 20 0 FCADRP c1c2c(cccc2N2CC[NH2+]CC2)nn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001166992157 1223291116 /nfs/dbraw/zinc/29/11/16/1223291116.db2.gz ZMKNLKMRNUTDLC-UHFFFAOYSA-N 2 0 364.457 0.635 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205433072 1223323320 /nfs/dbraw/zinc/32/33/20/1223323320.db2.gz YCJMJRZDSUKPLG-YESZJQIVSA-N 2 0 364.465 0.925 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+]([C@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513798 1223329699 /nfs/dbraw/zinc/32/96/99/1223329699.db2.gz RCCZJRMDBHCLML-OWCLPIDISA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCOCCO)C1 ZINC001205648530 1223334186 /nfs/dbraw/zinc/33/41/86/1223334186.db2.gz LPGLIVGOGCCSEX-FUHWJXTLSA-N 2 0 367.465 0.670 20 0 FCADRP COc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206567401 1223361495 /nfs/dbraw/zinc/36/14/95/1223361495.db2.gz APZSAIGNHNLHSN-NVXWUHKLSA-N 2 0 362.474 0.701 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207122726 1223418938 /nfs/dbraw/zinc/41/89/38/1223418938.db2.gz ZMDDMFUUCXYQBZ-UHFFFAOYSA-N 2 0 361.490 0.457 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3cc[nH]c(=O)c3)CC2)C1 ZINC001207121470 1223419027 /nfs/dbraw/zinc/41/90/27/1223419027.db2.gz FKBPELFTLIJOEU-UHFFFAOYSA-N 2 0 362.474 0.790 20 0 FCADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+](CC4CC[NH2+]CC4)CC[C@@H]32)cn1 ZINC001207437713 1223446487 /nfs/dbraw/zinc/44/64/87/1223446487.db2.gz XFRSCSBSRIUGCU-OKZBNKHCSA-N 2 0 361.490 0.486 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784094 1223478731 /nfs/dbraw/zinc/47/87/31/1223478731.db2.gz FBDXGIHIMSOICH-BFYDXBDKSA-N 2 0 361.490 0.821 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946947 1223498997 /nfs/dbraw/zinc/49/89/97/1223498997.db2.gz SYEGTNQYLXNQAY-FRFSOERESA-N 2 0 359.430 0.325 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496216 1223551606 /nfs/dbraw/zinc/55/16/06/1223551606.db2.gz MLTWKOBGYFGJRV-NZSAHSFTSA-N 2 0 363.502 0.952 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575287 1223558962 /nfs/dbraw/zinc/55/89/62/1223558962.db2.gz MQIVPZOCIWMAHC-NXHRZFHOSA-N 2 0 370.538 0.696 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001208628384 1223564542 /nfs/dbraw/zinc/56/45/42/1223564542.db2.gz GGDHLIAIPFHGFC-UKPHBRMFSA-N 2 0 361.490 0.669 20 0 FCADRP COC(CN1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O)OC ZINC001276629918 1223608029 /nfs/dbraw/zinc/60/80/29/1223608029.db2.gz DOYXTASXMQNKTF-IBGZPJMESA-N 2 0 368.522 0.310 20 0 FCADRP COCCOCN1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276630212 1223609597 /nfs/dbraw/zinc/60/95/97/1223609597.db2.gz MKPBRWWARAPFQS-IBGZPJMESA-N 2 0 368.522 0.311 20 0 FCADRP C[C@@H]1CN(Cc2cnnn2C)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209477201 1223623214 /nfs/dbraw/zinc/62/32/14/1223623214.db2.gz AZMUVUNDEHCCHO-NVXWUHKLSA-N 2 0 364.494 0.254 20 0 FCADRP CC(C)N(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836162 1223652648 /nfs/dbraw/zinc/65/26/48/1223652648.db2.gz IAYIYOSPSHRMAE-NVXWUHKLSA-N 2 0 368.522 0.401 20 0 FCADRP Cc1nccnc1CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836409 1223652738 /nfs/dbraw/zinc/65/27/38/1223652738.db2.gz MFYOYNCWZVGWGZ-RHSMWYFYSA-N 2 0 361.490 0.832 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315438 1223682085 /nfs/dbraw/zinc/68/20/85/1223682085.db2.gz PHXDKTLHCCKUMO-BHIYHBOVSA-N 2 0 363.502 0.605 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC001211045878 1223721385 /nfs/dbraw/zinc/72/13/85/1223721385.db2.gz DICRUCUAXHSMRQ-SOLBZPMBSA-N 2 0 363.506 0.367 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001211046292 1223721621 /nfs/dbraw/zinc/72/16/21/1223721621.db2.gz MGQZJPIOUVOCAC-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP CO[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213575919 1223816369 /nfs/dbraw/zinc/81/63/69/1223816369.db2.gz ANZAUJKYUJURKX-OWCLPIDISA-N 2 0 363.462 0.066 20 0 FCADRP COc1cccc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213728883 1223840133 /nfs/dbraw/zinc/84/01/33/1223840133.db2.gz XUFCCCHYMAJMTF-QZTJIDSGSA-N 2 0 365.474 0.589 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214598698 1223924624 /nfs/dbraw/zinc/92/46/24/1223924624.db2.gz ZQQNMTWZNUISPT-ZACQAIPSSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648231 1223929250 /nfs/dbraw/zinc/92/92/50/1223929250.db2.gz CYIAPWPCECMDCB-DJIMGWMZSA-N 2 0 365.522 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214855288 1223948687 /nfs/dbraw/zinc/94/86/87/1223948687.db2.gz BKHGXIRZLBSNRG-BPLDGKMQSA-N 2 0 365.478 0.025 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1)[NH+](C)C ZINC001214955065 1223959025 /nfs/dbraw/zinc/95/90/25/1223959025.db2.gz QAVBQTDDHBYULX-BPLDGKMQSA-N 2 0 364.494 0.444 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214954600 1223959102 /nfs/dbraw/zinc/95/91/02/1223959102.db2.gz AXNCEDFEDGISLA-RBSFLKMASA-N 2 0 369.510 0.389 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015013 1223964483 /nfs/dbraw/zinc/96/44/83/1223964483.db2.gz BPTIXGVHAZPDOL-NVXWUHKLSA-N 2 0 361.490 0.871 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001215200149 1223981738 /nfs/dbraw/zinc/98/17/38/1223981738.db2.gz QZWMVRKPIGMDNY-IXDOHACOSA-N 2 0 364.490 0.985 20 0 FCADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215228181 1223983559 /nfs/dbraw/zinc/98/35/59/1223983559.db2.gz CJNNHHNGOQZSIN-UKRRQHHQSA-N 2 0 367.494 0.272 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414319 1223998414 /nfs/dbraw/zinc/99/84/14/1223998414.db2.gz TUSAKQKDTYEORQ-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)cc1=O ZINC001215414084 1223998499 /nfs/dbraw/zinc/99/84/99/1223998499.db2.gz RMIMYKVAQGVMAV-UKRRQHHQSA-N 2 0 363.458 0.927 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423355 1223999155 /nfs/dbraw/zinc/99/91/55/1223999155.db2.gz IPUOAHJGHUJMJM-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215539920 1224005135 /nfs/dbraw/zinc/00/51/35/1224005135.db2.gz CPUZBCREBBRMEY-ZMSDIMECSA-N 2 0 362.474 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215541025 1224005176 /nfs/dbraw/zinc/00/51/76/1224005176.db2.gz VEWGCMCSWSIJES-ARFHVFGLSA-N 2 0 367.538 0.862 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1)[NH+](C)C ZINC001215571321 1224007029 /nfs/dbraw/zinc/00/70/29/1224007029.db2.gz KHTDNVGDBBMEKI-KFWWJZLASA-N 2 0 369.510 0.245 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053716 1224031924 /nfs/dbraw/zinc/03/19/24/1224031924.db2.gz VWUNTOBZLBEVNN-FGTMMUONSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216090178 1224033717 /nfs/dbraw/zinc/03/37/17/1224033717.db2.gz BLWURKSEGCRBPR-RHSMWYFYSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001216754168 1224068285 /nfs/dbraw/zinc/06/82/85/1224068285.db2.gz JSQTXJUHLJIDSG-XOKHGSTOSA-N 2 0 362.518 0.679 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001216757700 1224068952 /nfs/dbraw/zinc/06/89/52/1224068952.db2.gz JGAZRCLUIBOEKQ-HLLBOEOZSA-N 2 0 362.474 0.817 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216758179 1224069299 /nfs/dbraw/zinc/06/92/99/1224069299.db2.gz YWLSRDJTGAWIRH-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216845137 1224078502 /nfs/dbraw/zinc/07/85/02/1224078502.db2.gz YVINXGDHZVDHSZ-KFWWJZLASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001217011108 1224084446 /nfs/dbraw/zinc/08/44/46/1224084446.db2.gz YNSHCUHSZRWFBF-IJEWVQPXSA-N 2 0 359.430 0.618 20 0 FCADRP COCc1nc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)no1 ZINC001276750631 1224084459 /nfs/dbraw/zinc/08/44/59/1224084459.db2.gz ITBZFCQMGRZGRA-SFHVURJKSA-N 2 0 365.478 0.982 20 0 FCADRP COc1cccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)c1 ZINC001217010712 1224084546 /nfs/dbraw/zinc/08/45/46/1224084546.db2.gz UJBMGMBULHCEOD-RHSMWYFYSA-N 2 0 371.441 0.967 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217009667 1224084598 /nfs/dbraw/zinc/08/45/98/1224084598.db2.gz DAFCGEUTJASNPI-BZUAXINKSA-N 2 0 365.478 0.251 20 0 FCADRP C[NH+](C)CCN1C(=O)C2(CC[NH+](C[C@H](O)CO)CC2)[C@@H]1c1ccccc1 ZINC001277718114 1226170488 /nfs/dbraw/zinc/17/04/88/1226170488.db2.gz BVUQPTLSPDVHOG-ROUUACIJSA-N 2 0 361.486 0.567 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993377686 1249508612 /nfs/dbraw/zinc/50/86/12/1249508612.db2.gz MTILKFPUWMBVFI-VIPLHTEESA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994027592 1250152540 /nfs/dbraw/zinc/15/25/40/1250152540.db2.gz BUKGJCFZWDOLSH-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000891463928 1245451187 /nfs/dbraw/zinc/45/11/87/1245451187.db2.gz HGYXHQCBZPOYRW-SFHVURJKSA-N 3 0 360.506 0.987 20 0 FCADRP C[N@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000891519117 1245452230 /nfs/dbraw/zinc/45/22/30/1245452230.db2.gz WLEOTTPKXOGDQR-XHSDSOJGSA-N 2 0 365.478 0.437 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891512616 1245452238 /nfs/dbraw/zinc/45/22/38/1245452238.db2.gz QUODRRZREOTDLJ-IYBDPMFKSA-N 2 0 361.494 0.415 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563256 1245455406 /nfs/dbraw/zinc/45/54/06/1245455406.db2.gz BRVQHQXSJBSKHL-IRXDYDNUSA-N 2 0 367.538 0.470 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000891601465 1245456480 /nfs/dbraw/zinc/45/64/80/1245456480.db2.gz GABROYUMPHYTQA-DLBZAZTESA-N 2 0 367.538 0.328 20 0 FCADRP C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897262943 1245469357 /nfs/dbraw/zinc/46/93/57/1245469357.db2.gz DGWGHRHSTJJHJZ-LPHOPBHVSA-N 2 0 364.534 0.582 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911515676 1245502898 /nfs/dbraw/zinc/50/28/98/1245502898.db2.gz DIUJMVPTNNSFLY-QZTJIDSGSA-N 2 0 358.486 0.918 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2([NH+](C)C)CC2)c1 ZINC000916436293 1245535027 /nfs/dbraw/zinc/53/50/27/1245535027.db2.gz UVGZUXYWHORKIV-UHFFFAOYSA-N 2 0 361.490 0.871 20 0 FCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000923483954 1245724304 /nfs/dbraw/zinc/72/43/04/1245724304.db2.gz UIQQPHAIYYGARZ-KRWDZBQOSA-N 2 0 372.513 0.936 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941102598 1246462431 /nfs/dbraw/zinc/46/24/31/1246462431.db2.gz BNHSJNKCBAIXOD-ARFHVFGLSA-N 2 0 359.474 0.536 20 0 FCADRP CO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941369487 1246577128 /nfs/dbraw/zinc/57/71/28/1246577128.db2.gz GWZSIWSMMOKMGN-BZUAXINKSA-N 2 0 364.490 0.051 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@H]4CCCO4)C3)CC2)CC[N@@H+]1C ZINC000941413120 1246608860 /nfs/dbraw/zinc/60/88/60/1246608860.db2.gz QJQBNIYQWCCVRF-BHIYHBOVSA-N 2 0 364.534 0.724 20 0 FCADRP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549234 1247123828 /nfs/dbraw/zinc/12/38/28/1247123828.db2.gz LGKGKVLRGPKZMA-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000943284217 1247285493 /nfs/dbraw/zinc/28/54/93/1247285493.db2.gz AYELUJZWNUODLW-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943602339 1247366635 /nfs/dbraw/zinc/36/66/35/1247366635.db2.gz ZJIDXVPKJMRCLQ-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1)[NH+](C)C ZINC000944396143 1247548561 /nfs/dbraw/zinc/54/85/61/1247548561.db2.gz GKXWYKMVXKLTHY-OWCLPIDISA-N 2 0 368.522 0.543 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946426285 1247809284 /nfs/dbraw/zinc/80/92/84/1247809284.db2.gz IJWXKTTUYKROKY-IXDOHACOSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001327810086 1265431692 /nfs/dbraw/zinc/43/16/92/1265431692.db2.gz AXRUIQLEKYWHJI-GOSISDBHSA-N 2 0 356.470 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595433 1247909026 /nfs/dbraw/zinc/90/90/26/1247909026.db2.gz ZFOMCTWENKTOCT-UYTYNIKBSA-N 2 0 362.518 0.728 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC001327830392 1265437238 /nfs/dbraw/zinc/43/72/38/1265437238.db2.gz QNJSUYNOJSOVGY-YESZJQIVSA-N 2 0 362.478 0.110 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000946770229 1248000723 /nfs/dbraw/zinc/00/07/23/1248000723.db2.gz KSEVIXLKEUWJCI-USXIJHARSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]cn3)[C@@H]2C1)C1CC1 ZINC000972739071 1248127044 /nfs/dbraw/zinc/12/70/44/1248127044.db2.gz NEOQNRDVCDNKHN-KYJSFNMBSA-N 2 0 359.474 0.742 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972737953 1248127460 /nfs/dbraw/zinc/12/74/60/1248127460.db2.gz MXQJHZJSEIBGDD-JOCBIADPSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC000976944705 1248481808 /nfs/dbraw/zinc/48/18/08/1248481808.db2.gz IVUIBXYYIBJFLB-MTSZKFMLSA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000977026779 1248520171 /nfs/dbraw/zinc/52/01/71/1248520171.db2.gz SFQMZFCETBEZBG-NDVFFRQXSA-N 2 0 362.518 0.630 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001328143116 1265490531 /nfs/dbraw/zinc/49/05/31/1265490531.db2.gz OFCXHBJKZFUBTM-UHFFFAOYSA-N 2 0 363.510 0.268 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994315899 1250367865 /nfs/dbraw/zinc/36/78/65/1250367865.db2.gz SBXFAMGEARDJNY-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498350 1265517827 /nfs/dbraw/zinc/51/78/27/1265517827.db2.gz YSEDNCXRHRTLHH-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000996315573 1251311604 /nfs/dbraw/zinc/31/16/04/1251311604.db2.gz TZRDGYLPWCUIQV-RCCFBDPRSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC000996385415 1251335837 /nfs/dbraw/zinc/33/58/37/1251335837.db2.gz JUELLXZZBIUIPB-BDXSIMOUSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000996563091 1251388013 /nfs/dbraw/zinc/38/80/13/1251388013.db2.gz NLXDHNPVEHAYSU-OWSLCNJRSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000997007484 1251468864 /nfs/dbraw/zinc/46/88/64/1251468864.db2.gz MBNUIBLEMYSEHN-XABWRGDLSA-N 2 0 362.518 0.917 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)c2)CC1 ZINC001328581779 1265582955 /nfs/dbraw/zinc/58/29/55/1265582955.db2.gz WFUYVEQYCRARBB-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000998062480 1251770553 /nfs/dbraw/zinc/77/05/53/1251770553.db2.gz HRTLOZUTHBKLSJ-LTIDMASMSA-N 2 0 360.502 0.815 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001002827340 1252691300 /nfs/dbraw/zinc/69/13/00/1252691300.db2.gz NLXDHNPVEHAYSU-TVFCKZIOSA-N 2 0 360.502 0.672 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004394820 1253311512 /nfs/dbraw/zinc/31/15/12/1253311512.db2.gz KXAPDRLEXXKGEV-WCXIOVBPSA-N 2 0 360.502 0.815 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001004395184 1253313286 /nfs/dbraw/zinc/31/32/86/1253313286.db2.gz NBNJFSPHOGZQCT-WCXIOVBPSA-N 2 0 360.502 0.671 20 0 FCADRP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001519902858 1265796659 /nfs/dbraw/zinc/79/66/59/1265796659.db2.gz VJUQWUVTCSXBQA-DOTOQJQBSA-N 2 0 355.527 0.373 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001057859205 1254098681 /nfs/dbraw/zinc/09/86/81/1254098681.db2.gz UYTSVGHXEVCUQL-IAGOWNOFSA-N 2 0 368.522 0.140 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329785702 1265844961 /nfs/dbraw/zinc/84/49/61/1265844961.db2.gz PJVVLBCAQFMFEM-QAPCUYQASA-N 2 0 370.453 0.374 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329822441 1265861364 /nfs/dbraw/zinc/86/13/64/1265861364.db2.gz COHFGLYJXJVJAQ-GFCCVEGCSA-N 2 0 364.450 0.036 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065210885 1254491609 /nfs/dbraw/zinc/49/16/09/1254491609.db2.gz HQPYHMFYCBHUHF-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP Cn1nnc2c1C[C@@H](C(=O)NC1CC[NH+](C3CCN(C)CC3)CC1)CC2 ZINC001329958306 1265906642 /nfs/dbraw/zinc/90/66/42/1265906642.db2.gz ZTZBGQBHBXWCDS-AWEZNQCLSA-N 2 0 360.506 0.595 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001077618982 1254786658 /nfs/dbraw/zinc/78/66/58/1254786658.db2.gz XWCKYUMONZMWPT-IPMKNSEASA-N 2 0 361.486 0.093 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680364 1254868022 /nfs/dbraw/zinc/86/80/22/1254868022.db2.gz CDHMFFLOEKLYGB-GPMSIDNRSA-N 2 0 371.497 0.787 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685208 1254878196 /nfs/dbraw/zinc/87/81/96/1254878196.db2.gz DSCZBGQZNCHZAN-KZNAEPCWSA-N 2 0 367.534 0.821 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077974968 1255139596 /nfs/dbraw/zinc/13/95/96/1255139596.db2.gz BSYUUYINYBOKJN-GUDVDZBRSA-N 2 0 365.518 0.839 20 0 FCADRP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078005337 1255161946 /nfs/dbraw/zinc/16/19/46/1255161946.db2.gz APGIFZNEAGULKT-BHIYHBOVSA-N 2 0 361.486 0.836 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001078227140 1255340308 /nfs/dbraw/zinc/34/03/08/1255340308.db2.gz KXSHQPNZTUVNPK-KFKAGJAMSA-N 2 0 361.486 0.950 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001078404203 1255408821 /nfs/dbraw/zinc/40/88/21/1255408821.db2.gz UZQMTFALGWZZKD-OKZBNKHCSA-N 2 0 363.506 0.858 20 0 FCADRP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146776 1255459516 /nfs/dbraw/zinc/45/95/16/1255459516.db2.gz GQRADTUWTPWHBX-IPMKNSEASA-N 2 0 361.486 0.658 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001079185392 1255468723 /nfs/dbraw/zinc/46/87/23/1255468723.db2.gz NOFDIQARIGWORF-VDNDLQMASA-N 2 0 362.449 0.535 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079209904 1255473163 /nfs/dbraw/zinc/47/31/63/1255473163.db2.gz NPPKBJUJTXERSB-RRQGHBQHSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079209905 1255473567 /nfs/dbraw/zinc/47/35/67/1255473567.db2.gz NPPKBJUJTXERSB-XOKHGSTOSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270316 1255495968 /nfs/dbraw/zinc/49/59/68/1255495968.db2.gz MBWHYQPXDCPWLT-IXDOHACOSA-N 2 0 363.502 0.402 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001079298925 1255503838 /nfs/dbraw/zinc/50/38/38/1255503838.db2.gz NOCLSULDSLCVJO-DOTOQJQBSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188662 1255778825 /nfs/dbraw/zinc/77/88/25/1255778825.db2.gz OVDPVAMNWPSFHG-SZVBFZGTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754273 1256018974 /nfs/dbraw/zinc/01/89/74/1256018974.db2.gz FRQRTBHRPAJGTA-OLMNPRSZSA-N 2 0 362.518 0.776 20 0 FCADRP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001080935213 1256103331 /nfs/dbraw/zinc/10/33/31/1256103331.db2.gz NNCKJLHLNYCYJU-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)CCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001080973788 1256119190 /nfs/dbraw/zinc/11/91/90/1256119190.db2.gz WIMUCUFRUQPKHW-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001081125674 1256187912 /nfs/dbraw/zinc/18/79/12/1256187912.db2.gz MGIQJCAOOIBAIZ-GBESFXJTSA-N 2 0 370.497 0.943 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001081125881 1256188018 /nfs/dbraw/zinc/18/80/18/1256188018.db2.gz VGOFQGGLFYWINI-RCCFBDPRSA-N 2 0 370.497 0.943 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001081203608 1256206911 /nfs/dbraw/zinc/20/69/11/1256206911.db2.gz UCGMDJVIJZSBIH-ZWKOTPCHSA-N 2 0 358.486 0.788 20 0 FCADRP O=C(N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001081215933 1256208820 /nfs/dbraw/zinc/20/88/20/1256208820.db2.gz XNKVKJWZGJOXGI-OKZBNKHCSA-N 2 0 368.481 0.555 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670087 1256328962 /nfs/dbraw/zinc/32/89/62/1256328962.db2.gz FGXINXLNRAVSGO-RCCFBDPRSA-N 2 0 361.490 0.120 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691741 1256336791 /nfs/dbraw/zinc/33/67/91/1256336791.db2.gz NTBARPUVELMANU-MWQQHZPXSA-N 2 0 362.474 0.041 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082132879 1256550349 /nfs/dbraw/zinc/55/03/49/1256550349.db2.gz WBSKZILPPDKKLF-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326496 1256666642 /nfs/dbraw/zinc/66/66/42/1256666642.db2.gz GMTAVONSUSOXGO-KBAYOESNSA-N 2 0 363.506 0.603 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515174 1256799576 /nfs/dbraw/zinc/79/95/76/1256799576.db2.gz CTNHFDOETLAFNP-JEBQAFNWSA-N 2 0 360.506 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082517846 1256801390 /nfs/dbraw/zinc/80/13/90/1256801390.db2.gz JRWHPKFEQXDASS-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082544570 1256835789 /nfs/dbraw/zinc/83/57/89/1256835789.db2.gz IZRIKXOHOYPELG-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)nnn1C1CC[NH2+]CC1 ZINC001330618911 1266072421 /nfs/dbraw/zinc/07/24/21/1266072421.db2.gz KUUHEXZJRCHLFL-HNNXBMFYSA-N 2 0 362.478 0.400 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082588551 1256901999 /nfs/dbraw/zinc/90/19/99/1256901999.db2.gz BJRRGYIROWUTPW-QLFBSQMISA-N 2 0 362.474 0.104 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082645342 1256951501 /nfs/dbraw/zinc/95/15/01/1256951501.db2.gz WCCPZIOQLZYRII-CZUORRHYSA-N 2 0 369.425 0.533 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082653270 1256957242 /nfs/dbraw/zinc/95/72/42/1256957242.db2.gz CRXSQTSECUSAEW-PHYFXXPTSA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082653373 1256957912 /nfs/dbraw/zinc/95/79/12/1256957912.db2.gz HWKNJUIURWOZBW-LVPSCPSHSA-N 2 0 356.470 0.881 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653264 1256958385 /nfs/dbraw/zinc/95/83/85/1256958385.db2.gz CNDDJEUJGDYKRV-MESWHDRRSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082681700 1256983174 /nfs/dbraw/zinc/98/31/74/1256983174.db2.gz MYCBXIBJZMVOPN-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082719814 1257009999 /nfs/dbraw/zinc/00/99/99/1257009999.db2.gz OFBIYRWJROOCLC-FHLIZLRMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082744246 1257025443 /nfs/dbraw/zinc/02/54/43/1257025443.db2.gz ZTGSJSXLFFMFQQ-BZUAXINKSA-N 2 0 360.506 0.934 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001082835767 1257091537 /nfs/dbraw/zinc/09/15/37/1257091537.db2.gz VMHWWCHFQZQLSK-FVQBIDKESA-N 2 0 364.490 0.349 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001082863096 1257113936 /nfs/dbraw/zinc/11/39/36/1257113936.db2.gz KWCBIOPWKIBINL-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082864614 1257114360 /nfs/dbraw/zinc/11/43/60/1257114360.db2.gz XHABINJBXSGARY-FVQBIDKESA-N 2 0 359.474 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082864483 1257114380 /nfs/dbraw/zinc/11/43/80/1257114380.db2.gz OTNCPUGNIKEYRT-KWCYVHTRSA-N 2 0 359.430 0.003 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082864615 1257114731 /nfs/dbraw/zinc/11/47/31/1257114731.db2.gz XHABINJBXSGARY-VNQPRFMTSA-N 2 0 359.474 0.819 20 0 FCADRP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1 ZINC001082919742 1257144390 /nfs/dbraw/zinc/14/43/90/1257144390.db2.gz DHOXQGDOGIXPRA-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082942666 1257160827 /nfs/dbraw/zinc/16/08/27/1257160827.db2.gz OYWIXSCQODUUAT-HZPDHXFCSA-N 2 0 364.490 0.448 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCn2cncc2C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001330781098 1266098709 /nfs/dbraw/zinc/09/87/09/1266098709.db2.gz YUBFRIRHHBHNFY-UHFFFAOYSA-N 2 0 367.409 0.451 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183194 1257444746 /nfs/dbraw/zinc/44/47/46/1257444746.db2.gz SEAGVAKGIPZQRZ-ZWKOTPCHSA-N 2 0 361.490 0.216 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001083750423 1257488830 /nfs/dbraw/zinc/48/88/30/1257488830.db2.gz WHGNDDUQQGPSCV-MOPGFXCFSA-N 2 0 361.486 0.741 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001083749904 1257488964 /nfs/dbraw/zinc/48/89/64/1257488964.db2.gz WCOPRYCRKLUEMS-CEXWTWQISA-N 2 0 361.486 0.877 20 0 FCADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863662 1257625945 /nfs/dbraw/zinc/62/59/45/1257625945.db2.gz CMRYCZMKWUVRSR-MOPGFXCFSA-N 2 0 371.485 0.499 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056806 1257869310 /nfs/dbraw/zinc/86/93/10/1257869310.db2.gz OVMNTWAILYCWQK-QRQLOZEOSA-N 2 0 369.469 0.485 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088062 1257911466 /nfs/dbraw/zinc/91/14/66/1257911466.db2.gz OHOWREUGESYNEL-IPELMVKDSA-N 2 0 361.486 0.950 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)cc1=O ZINC001084403910 1258082693 /nfs/dbraw/zinc/08/26/93/1258082693.db2.gz ISRKDZXHEQXFOJ-IAGOWNOFSA-N 2 0 358.486 0.902 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)[C@@H]3C2)n1 ZINC001084406313 1258087068 /nfs/dbraw/zinc/08/70/68/1258087068.db2.gz MDOWJLNGVWDGTN-KURKYZTESA-N 2 0 360.506 0.768 20 0 FCADRP C/C(=C\C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001521676978 1266162094 /nfs/dbraw/zinc/16/20/94/1266162094.db2.gz NHQPBVAHBBGEQA-FSOQDABGSA-N 2 0 374.529 0.753 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CC4)[C@H]3C2)CC[N@@H+]1C ZINC001085016935 1258522281 /nfs/dbraw/zinc/52/22/81/1258522281.db2.gz XBJSFZIQQZEPCN-DFGXFYAUSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)CC1 ZINC001085022460 1258529814 /nfs/dbraw/zinc/52/98/14/1258529814.db2.gz JAISUAJGIOISRF-WBVHZDCISA-N 2 0 363.506 0.276 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC001331318592 1266192588 /nfs/dbraw/zinc/19/25/88/1266192588.db2.gz JPZKSGJRBGRBJR-YOEHRIQHSA-N 2 0 362.474 0.802 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)n1 ZINC001085093723 1258587935 /nfs/dbraw/zinc/58/79/35/1258587935.db2.gz YMDDNBOROIIFCF-MSOLQXFVSA-N 2 0 360.506 0.914 20 0 FCADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC001085200345 1258627538 /nfs/dbraw/zinc/62/75/38/1258627538.db2.gz FAAGQLUGBDWVHG-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671315 1258813095 /nfs/dbraw/zinc/81/30/95/1258813095.db2.gz HQZCCCMGPKBMGV-BRWVUGGUSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782052 1258844096 /nfs/dbraw/zinc/84/40/96/1258844096.db2.gz CRCKCPDNFVEOPN-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782216 1258845028 /nfs/dbraw/zinc/84/50/28/1258845028.db2.gz HVRPURJCYRGSEW-GDBMZVCRSA-N 2 0 370.457 0.657 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828163 1258857731 /nfs/dbraw/zinc/85/77/31/1258857731.db2.gz HOGLTRKRKCBGOL-XNRPHZJLSA-N 2 0 369.425 0.437 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331433015 1266215775 /nfs/dbraw/zinc/21/57/75/1266215775.db2.gz YGHHSUYIDCIQQC-QZTJIDSGSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCc1cccnc1 ZINC001106622516 1258928982 /nfs/dbraw/zinc/92/89/82/1258928982.db2.gz CLQNYPSPUGWEBB-NVXWUHKLSA-N 2 0 361.490 0.334 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)[NH+](C)C ZINC001106633154 1258930439 /nfs/dbraw/zinc/93/04/39/1258930439.db2.gz AZMGWFRWFNVJAI-CKEIUWERSA-N 2 0 365.478 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106666549 1258936969 /nfs/dbraw/zinc/93/69/69/1258936969.db2.gz NYHICNKHCNMGQG-SPYBWZPUSA-N 2 0 370.513 0.971 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)C1 ZINC001106666773 1258937181 /nfs/dbraw/zinc/93/71/81/1258937181.db2.gz ULFZAKVPVAAENT-BZUAXINKSA-N 2 0 364.490 0.161 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665452 1258937362 /nfs/dbraw/zinc/93/73/62/1258937362.db2.gz XAVPQECDAGFKMD-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1)[NH+]1CCCC1 ZINC001106680910 1258940214 /nfs/dbraw/zinc/94/02/14/1258940214.db2.gz LSVFZNKDJXIYTN-BZUAXINKSA-N 2 0 365.478 0.755 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001106681067 1258940318 /nfs/dbraw/zinc/94/03/18/1258940318.db2.gz SJEOMMKOJGIIFK-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106779767 1258961552 /nfs/dbraw/zinc/96/15/52/1258961552.db2.gz VJUXUYBWNCSNMA-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878110 1258986099 /nfs/dbraw/zinc/98/60/99/1258986099.db2.gz FWZDSPMXCDGVIU-HUUCEWRRSA-N 2 0 367.498 0.016 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001106878680 1258986690 /nfs/dbraw/zinc/98/66/90/1258986690.db2.gz XDDNYAKAJXZCAC-UKRRQHHQSA-N 2 0 364.494 0.444 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106881814 1258987037 /nfs/dbraw/zinc/98/70/37/1258987037.db2.gz KVKRUGMPGKBPSL-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001106882436 1258987441 /nfs/dbraw/zinc/98/74/41/1258987441.db2.gz VTOYIVGGXUNBRW-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106882392 1258987847 /nfs/dbraw/zinc/98/78/47/1258987847.db2.gz UFKYWIKJBSLTNV-KURKYZTESA-N 2 0 371.522 0.444 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106905425 1258992772 /nfs/dbraw/zinc/99/27/72/1258992772.db2.gz OZGWJMHYJBUDOU-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001106983997 1259011014 /nfs/dbraw/zinc/01/10/14/1259011014.db2.gz SKVJRSBSGJYUCM-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCNC(=O)C1CC1)CC2 ZINC001107329404 1259055138 /nfs/dbraw/zinc/05/51/38/1259055138.db2.gz SSYNXAMGLSJVFG-SQGPQFPESA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[C@H]1C[NH+]2CCC1CC2 ZINC001107409591 1259079633 /nfs/dbraw/zinc/07/96/33/1259079633.db2.gz ZVERXOVMCLBBAY-NLWGTHIKSA-N 2 0 365.518 0.698 20 0 FCADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2)[NH+](C)C ZINC001107451563 1259091722 /nfs/dbraw/zinc/09/17/22/1259091722.db2.gz XAQKMTLVEOHUDU-GPMSIDNRSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107533741 1259110344 /nfs/dbraw/zinc/11/03/44/1259110344.db2.gz DEWUMMJIBFBNMW-DDUZABMNSA-N 2 0 367.494 0.128 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1C(=O)CCC1=O)CC2 ZINC001107534205 1259110664 /nfs/dbraw/zinc/11/06/64/1259110664.db2.gz GPBGZMLMVYGMHE-DNVCBOLYSA-N 2 0 364.490 0.448 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107583259 1259125272 /nfs/dbraw/zinc/12/52/72/1259125272.db2.gz SRWXXCJFZKPZEX-VQIMIIECSA-N 2 0 365.522 0.714 20 0 FCADRP Cn1cncc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609349 1259132682 /nfs/dbraw/zinc/13/26/82/1259132682.db2.gz OPJMAKBQPAOKRU-IEBWSBKVSA-N 2 0 363.506 0.859 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540280 1259164297 /nfs/dbraw/zinc/16/42/97/1259164297.db2.gz OLLPYGZARCHFGU-BJLQDIEVSA-N 2 0 367.534 0.944 20 0 FCADRP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)ncn1 ZINC001127571632 1259181860 /nfs/dbraw/zinc/18/18/60/1259181860.db2.gz VLQFXPMDPZVAGQ-MSOLQXFVSA-N 2 0 361.490 0.738 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC001127638217 1259182873 /nfs/dbraw/zinc/18/28/73/1259182873.db2.gz HSMGZEJHZUVFOZ-ZIAGYGMSSA-N 2 0 358.442 0.329 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644062 1259183111 /nfs/dbraw/zinc/18/31/11/1259183111.db2.gz STCXFYQUKLXMCR-IIAWOOMASA-N 2 0 364.465 0.876 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060096 1259301396 /nfs/dbraw/zinc/30/13/96/1259301396.db2.gz KATVBSHZKHWKMA-IKGGRYGDSA-N 2 0 366.510 0.632 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276715 1259363243 /nfs/dbraw/zinc/36/32/43/1259363243.db2.gz SNEIXZZHJZOFAZ-IKGGRYGDSA-N 2 0 366.510 0.777 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[C@H]1O ZINC001160652920 1259386165 /nfs/dbraw/zinc/38/61/65/1259386165.db2.gz QPBLKKLMRYQFIL-DJIMGWMZSA-N 2 0 359.470 0.986 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC001200345590 1259415419 /nfs/dbraw/zinc/41/54/19/1259415419.db2.gz IIWYTTUBWPMBCH-QGZVFWFLSA-N 2 0 355.490 0.980 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001200547503 1259415962 /nfs/dbraw/zinc/41/59/62/1259415962.db2.gz OBCQORDENITGIL-BPQIPLTHSA-N 2 0 363.506 0.510 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418261 1259497595 /nfs/dbraw/zinc/49/75/95/1259497595.db2.gz GDOIVIITPJTGMZ-RCCFBDPRSA-N 2 0 371.522 0.320 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215536102 1259534515 /nfs/dbraw/zinc/53/45/15/1259534515.db2.gz IKGLQCVCZADEII-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP c1cc(CN2CCNC[C@@]23CC[NH2+]C3)cc(OCCN2CCOCC2)c1 ZINC001234985651 1259565744 /nfs/dbraw/zinc/56/57/44/1259565744.db2.gz DERJNZKOQGTKML-FQEVSTJZSA-N 2 0 360.502 0.535 20 0 FCADRP O=C1CCC[C@@]2(C[NH2+]CCN(Cc3cccc(N4CC[NH2+]CC4)c3)C2)N1 ZINC001235185345 1259567817 /nfs/dbraw/zinc/56/78/17/1259567817.db2.gz RVSRHHSEVKAOMP-FQEVSTJZSA-N 2 0 357.502 0.540 20 0 FCADRP c1ccc(N2CC[NH2+]CC2)c(CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198371 1259569132 /nfs/dbraw/zinc/56/91/32/1259569132.db2.gz DLANSDFARIAGJW-FQEVSTJZSA-N 2 0 360.502 0.677 20 0 FCADRP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](CCCC[NH3+])C1 ZINC001235581412 1259578553 /nfs/dbraw/zinc/57/85/53/1259578553.db2.gz LBQNJSUDVRZRCN-IBGZPJMESA-N 2 0 361.490 0.834 20 0 FCADRP CC1(C)[NH2+]C[C@@H](CN2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)O1 ZINC001235629179 1259581156 /nfs/dbraw/zinc/58/11/56/1259581156.db2.gz PGHYZDYOWQLKEQ-INIZCTEOSA-N 2 0 361.490 0.769 20 0 FCADRP CCOC(=O)COc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869699 1259583136 /nfs/dbraw/zinc/58/31/36/1259583136.db2.gz DAPJZRBZICGHBB-UHFFFAOYSA-N 2 0 364.490 0.213 20 0 FCADRP COC(=O)c1cnc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1 ZINC001236029203 1259587832 /nfs/dbraw/zinc/58/78/32/1259587832.db2.gz JZWQUVKZAFHAKX-KEIZMWOVSA-N 2 0 360.414 0.094 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(OCC(N)=O)cc3)C[C@H]1C2 ZINC001236028841 1259587885 /nfs/dbraw/zinc/58/78/85/1259587885.db2.gz XCTJMMIEHSCVAB-ASKNOMKYSA-N 2 0 373.453 0.381 20 0 FCADRP [NH3+]C1CC[NH+](C2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)CC1 ZINC001236582758 1259591080 /nfs/dbraw/zinc/59/10/80/1259591080.db2.gz ILLIMCCTDUIRJF-UHFFFAOYSA-N 3 0 358.534 0.879 20 0 FCADRP C[NH+]1CCN(c2cccc(C[NH+]3CCC4(CC3)COCC(=O)N4)c2)CC1 ZINC001236888020 1259592035 /nfs/dbraw/zinc/59/20/35/1259592035.db2.gz TZAOEWJHBBULKU-UHFFFAOYSA-N 2 0 358.486 0.919 20 0 FCADRP COc1ccc(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1 ZINC001239298082 1259623819 /nfs/dbraw/zinc/62/38/19/1259623819.db2.gz XEZJNHFHQBXCQL-UHFFFAOYSA-N 2 0 367.450 0.352 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1=O ZINC001335369734 1259629169 /nfs/dbraw/zinc/62/91/69/1259629169.db2.gz HOCZGQLZNJWLST-MWDXBVQZSA-N 2 0 350.507 0.585 20 0 FCADRP OC1(CNc2ncc(Br)nc2N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001245958985 1259641152 /nfs/dbraw/zinc/64/11/52/1259641152.db2.gz YPLBCHAGDQQBCF-UHFFFAOYSA-N 2 0 371.283 0.175 20 0 FCADRP COc1ccc(C2(NC[C@@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)cc1 ZINC001245996254 1259642908 /nfs/dbraw/zinc/64/29/08/1259642908.db2.gz LSPRSJXIBAPQHN-KRWDZBQOSA-N 2 0 363.502 0.729 20 0 FCADRP CCOC(=O)C1=C(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]C1 ZINC001245991836 1259643726 /nfs/dbraw/zinc/64/37/26/1259643726.db2.gz AUDDRZWLNZQTLA-DOTOQJQBSA-N 2 0 369.412 0.596 20 0 FCADRP O[C@@H](C[NH2+]CC1(c2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246006994 1259644506 /nfs/dbraw/zinc/64/45/06/1259644506.db2.gz MALRTYOLXJIRQA-MRXNPFEDSA-N 3 0 365.493 0.902 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246033345 1259644863 /nfs/dbraw/zinc/64/48/63/1259644863.db2.gz IJYDHFBEHKCXQP-ZNLIYNOOSA-N 3 0 367.440 0.648 20 0 FCADRP COC(=O)[C@H](N)[C@@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052916 1259645898 /nfs/dbraw/zinc/64/58/98/1259645898.db2.gz MKMSRHNVUWFSBC-VJUNAUMWSA-N 2 0 371.428 0.408 20 0 FCADRP COc1ccc(COC[C@H](O)C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335400328 1259646237 /nfs/dbraw/zinc/64/62/37/1259646237.db2.gz PWOMAKJGEIOJJM-FUHWJXTLSA-N 2 0 351.491 0.798 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC001246034249 1259646792 /nfs/dbraw/zinc/64/67/92/1259646792.db2.gz KPNIUDOJVLORLJ-RBUKOAKNSA-N 3 0 360.502 0.061 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@H]1C(=O)OC ZINC001246140243 1259647663 /nfs/dbraw/zinc/64/76/63/1259647663.db2.gz GJVKDSGVCMGRHY-CAOSSQGBSA-N 3 0 367.490 0.581 20 0 FCADRP c1c2c(nn1Cc1ccccn1)[C@H](C[NH2+][C@@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246159362 1259649320 /nfs/dbraw/zinc/64/93/20/1259649320.db2.gz WBDFNZOZYHQOMV-AEFFLSMTSA-N 2 0 368.485 0.624 20 0 FCADRP COc1ccc(CN2C[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2=O)c(OC)c1 ZINC001246496613 1259654015 /nfs/dbraw/zinc/65/40/15/1259654015.db2.gz PDINJUUKJNAIMV-HOTGVXAUSA-N 2 0 374.485 0.488 20 0 FCADRP COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2=O)c(OC)c1 ZINC001246569675 1259657771 /nfs/dbraw/zinc/65/77/71/1259657771.db2.gz RPOPILHWPJNJDY-DJIMGWMZSA-N 2 0 363.458 0.589 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429974 1259660691 /nfs/dbraw/zinc/66/06/91/1259660691.db2.gz IUSBSWUNOIZGLF-HOTGVXAUSA-N 2 0 353.511 0.080 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429976 1259661208 /nfs/dbraw/zinc/66/12/08/1259661208.db2.gz IUSBSWUNOIZGLF-HZPDHXFCSA-N 2 0 353.511 0.080 20 0 FCADRP O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCCO1 ZINC001246693948 1259662520 /nfs/dbraw/zinc/66/25/20/1259662520.db2.gz KCRYVBLPIKYERN-VQHPVUNQSA-N 2 0 364.490 0.256 20 0 FCADRP C[C@@H]1CC[C@@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C[NH2+]1 ZINC001246712656 1259665915 /nfs/dbraw/zinc/66/59/15/1259665915.db2.gz XOTNVRTWFWDKOR-NUJGCVRESA-N 2 0 362.522 0.967 20 0 FCADRP C[C@@H]1C[C@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246712642 1259666134 /nfs/dbraw/zinc/66/61/34/1259666134.db2.gz XMUNXJWQDFLGMX-JFIYKMOQSA-N 2 0 362.522 0.967 20 0 FCADRP c1cnc(N2CC[C@@]3(C2)COCC[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246718760 1259668684 /nfs/dbraw/zinc/66/86/84/1259668684.db2.gz ZMKZHDRPBSUAPI-FUHWJXTLSA-N 2 0 358.490 0.099 20 0 FCADRP CN(C)C(=O)N[C@@H]1COCCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246728084 1259669851 /nfs/dbraw/zinc/66/98/51/1259669851.db2.gz FTDHMRCKDGZWGE-HZPDHXFCSA-N 2 0 365.522 0.223 20 0 FCADRP CNC(=O)[C@]12C[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733010 1259672512 /nfs/dbraw/zinc/67/25/12/1259672512.db2.gz CPGWSPWJAUNENH-YYAJDYIMSA-N 2 0 358.490 0.634 20 0 FCADRP O=C1COC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CN1c1cncnc1 ZINC001246734684 1259672729 /nfs/dbraw/zinc/67/27/29/1259672729.db2.gz PJWZKDNFJRGZLS-XYPWUTKMSA-N 2 0 357.458 0.957 20 0 FCADRP CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246736649 1259673759 /nfs/dbraw/zinc/67/37/59/1259673759.db2.gz ARMXMJDOTAGBEL-ZWKOTPCHSA-N 2 0 369.513 0.956 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741001 1259674180 /nfs/dbraw/zinc/67/41/80/1259674180.db2.gz WRTPJQKQAUQXBI-PASDCYSWSA-N 2 0 359.474 0.970 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745168 1259677055 /nfs/dbraw/zinc/67/70/55/1259677055.db2.gz MQYPUTBDAMGKGK-AXVVYFOYSA-N 2 0 372.517 0.976 20 0 FCADRP O=C(C1CC[NH+](C2CCN([C@@H]3CCC[NH2+]C3)CC2)CC1)N1CCOCC1 ZINC001246749371 1259679188 /nfs/dbraw/zinc/67/91/88/1259679188.db2.gz WFRRTDMMJINKHB-LJQANCHMSA-N 2 0 364.534 0.774 20 0 FCADRP c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766297 1259687678 /nfs/dbraw/zinc/68/76/78/1259687678.db2.gz MONOWEGBNPQOPS-HZMVEIRTSA-N 2 0 359.474 0.429 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1=O ZINC001335498704 1259687820 /nfs/dbraw/zinc/68/78/20/1259687820.db2.gz QWPFASLNGDGYOU-DLBZAZTESA-N 2 0 353.438 0.628 20 0 FCADRP CCOC(=O)N1CCC([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246857441 1259692568 /nfs/dbraw/zinc/69/25/68/1259692568.db2.gz HKMROGWVVMMKFR-DEWZPKMOSA-N 2 0 365.474 0.938 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@@]45C[NH2+]C[C@H]4CCN5)n3)c2)CC1 ZINC001247833920 1259705941 /nfs/dbraw/zinc/70/59/41/1259705941.db2.gz SIKRPTFKGPTBHJ-DNVCBOLYSA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C[C@H](O)CN3CCOCC3)c2)CC1 ZINC001251035868 1259734277 /nfs/dbraw/zinc/73/42/77/1259734277.db2.gz PZCAEPWKMKWFQV-FQEVSTJZSA-N 2 0 362.518 0.217 20 0 FCADRP C[NH+](C)CCCN1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251405958 1259746923 /nfs/dbraw/zinc/74/69/23/1259746923.db2.gz SOSLTOGHPSXYPO-LJQANCHMSA-N 2 0 370.538 0.928 20 0 FCADRP CC(C)[NH+]1CCN(CC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453595 1259748262 /nfs/dbraw/zinc/74/82/62/1259748262.db2.gz QPLCVIHMNJCNCJ-LJQANCHMSA-N 2 0 370.538 0.974 20 0 FCADRP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416475 1259785307 /nfs/dbraw/zinc/78/53/07/1259785307.db2.gz YEZBTOHGMHZCJM-IAGOWNOFSA-N 2 0 363.458 0.671 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335710703 1259798501 /nfs/dbraw/zinc/79/85/01/1259798501.db2.gz CSSIUCXMNVUFNR-WRWLIDTKSA-N 2 0 374.485 0.030 20 0 FCADRP COC(=O)[C@H](Cc1c[nH]cn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943225 1259813442 /nfs/dbraw/zinc/81/34/42/1259813442.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 0 358.442 0.720 20 0 FCADRP CN(C)C1(C[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC[NH+](C)CC1 ZINC001253159177 1259823514 /nfs/dbraw/zinc/82/35/14/1259823514.db2.gz AOYWXLLIDIIBFW-GOSISDBHSA-N 2 0 365.518 0.577 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253185586 1259827736 /nfs/dbraw/zinc/82/77/36/1259827736.db2.gz HUHLFWZANKMXBF-QGZVFWFLSA-N 2 0 367.538 0.870 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC001253448540 1259839218 /nfs/dbraw/zinc/83/92/18/1259839218.db2.gz OERXCMROSFPLDU-KRWDZBQOSA-N 2 0 365.518 0.987 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001253405515 1259840113 /nfs/dbraw/zinc/84/01/13/1259840113.db2.gz FBCYXQWZJFFVCH-LSDHHAIUSA-N 2 0 360.462 0.578 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790058 1259841265 /nfs/dbraw/zinc/84/12/65/1259841265.db2.gz HIJMKARNSJAZIG-HIFRSBDPSA-N 2 0 370.494 0.157 20 0 FCADRP C[N@H+](CCO)CCC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915127 1259864161 /nfs/dbraw/zinc/86/41/61/1259864161.db2.gz KDFMNZXZQOCSMS-DLBZAZTESA-N 2 0 369.416 0.410 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)[C@H]2CCCOC2)C1 ZINC001254368283 1259879495 /nfs/dbraw/zinc/87/94/95/1259879495.db2.gz OIRJGHDRKSVYTN-FRMKIJSPSA-N 2 0 373.538 0.934 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001331821375 1266292009 /nfs/dbraw/zinc/29/20/09/1266292009.db2.gz MYZISDNXGVWEEQ-MOPGFXCFSA-N 2 0 360.502 0.817 20 0 FCADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001254767235 1259894386 /nfs/dbraw/zinc/89/43/86/1259894386.db2.gz RNSGDJGKZFDAFV-CYBMUJFWSA-N 2 0 372.470 0.914 20 0 FCADRP C[N@@H+]1CC[C@@H](N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)C1 ZINC001255434894 1259913199 /nfs/dbraw/zinc/91/31/99/1259913199.db2.gz WYNXSWRPIVNTLI-LJQANCHMSA-N 2 0 364.534 0.726 20 0 FCADRP Cn1nnc2c1CCN([C@@H]1CCC[N@H+](C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001255490560 1259915870 /nfs/dbraw/zinc/91/58/70/1259915870.db2.gz UGXIINJBSLQNOC-SJLPKXTDSA-N 2 0 362.522 0.921 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001335968634 1259924538 /nfs/dbraw/zinc/92/45/38/1259924538.db2.gz IMQWODSVQBOTQZ-LPHOPBHVSA-N 2 0 358.490 0.775 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335994500 1259935194 /nfs/dbraw/zinc/93/51/94/1259935194.db2.gz PCKVRCOUWSFIBQ-UHFFFAOYSA-N 2 0 355.523 0.632 20 0 FCADRP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001336057315 1259959495 /nfs/dbraw/zinc/95/94/95/1259959495.db2.gz XSBSHJMJUPZTRW-USTZCAOPSA-N 2 0 360.502 0.433 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257601548 1260024573 /nfs/dbraw/zinc/02/45/73/1260024573.db2.gz GUDKVPCGYRLKTC-GJZGRUSLSA-N 2 0 372.510 0.798 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174625 1260025409 /nfs/dbraw/zinc/02/54/09/1260025409.db2.gz FMWKBYXIXZAOPH-CVEARBPZSA-N 2 0 368.522 0.632 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174627 1260025507 /nfs/dbraw/zinc/02/55/07/1260025507.db2.gz FMWKBYXIXZAOPH-HZPDHXFCSA-N 2 0 368.522 0.632 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270983 1260064097 /nfs/dbraw/zinc/06/40/97/1260064097.db2.gz IBAUGCVIAWQKGH-URLQWDBASA-N 2 0 360.458 0.608 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273843 1260064594 /nfs/dbraw/zinc/06/45/94/1260064594.db2.gz VFPKWXWNOBKXEE-JKSUJKDBSA-N 2 0 351.495 0.467 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001261381487 1260129556 /nfs/dbraw/zinc/12/95/56/1260129556.db2.gz KYLZIBTWEOONOS-OAHLLOKOSA-N 2 0 361.490 0.169 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC001261452306 1260140926 /nfs/dbraw/zinc/14/09/26/1260140926.db2.gz ZJFOFMVLMGRNIE-GOSISDBHSA-N 2 0 358.486 0.898 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001261891284 1260208590 /nfs/dbraw/zinc/20/85/90/1260208590.db2.gz DEYGZZQWRFXSQG-CXAGYDPISA-N 2 0 372.469 0.655 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001336755358 1260214461 /nfs/dbraw/zinc/21/44/61/1260214461.db2.gz IBLBQBSXHHRMKZ-CRAIPNDOSA-N 2 0 358.527 0.878 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336857383 1260238937 /nfs/dbraw/zinc/23/89/37/1260238937.db2.gz CVAVIBAGOAGJSO-YYIAUSFCSA-N 2 0 363.506 0.511 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)NCCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001336903978 1260250146 /nfs/dbraw/zinc/25/01/46/1260250146.db2.gz QOYGNCNVPKZBEY-IYBDPMFKSA-N 2 0 354.495 0.204 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCCC1 ZINC001262060375 1260252507 /nfs/dbraw/zinc/25/25/07/1260252507.db2.gz YXHUYHOYYHJOFF-INMHGKMJSA-N 2 0 374.485 0.896 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001262063241 1260254224 /nfs/dbraw/zinc/25/42/24/1260254224.db2.gz UCKYXZSCAPCTHA-IKGGRYGDSA-N 2 0 366.506 0.210 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262095512 1260259505 /nfs/dbraw/zinc/25/95/05/1260259505.db2.gz VQXWALIIKZNGAJ-KSZLIROESA-N 2 0 367.538 0.470 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001337003274 1260280607 /nfs/dbraw/zinc/28/06/07/1260280607.db2.gz CBUJVPXEMQASTQ-UZLBHIALSA-N 2 0 374.485 0.998 20 0 FCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337078530 1260303424 /nfs/dbraw/zinc/30/34/24/1260303424.db2.gz YWYYEXFABWRZJS-SJORKVTESA-N 2 0 354.539 0.923 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@]34CC[NH2+]C4)ccn2)CC1 ZINC001262561379 1260328247 /nfs/dbraw/zinc/32/82/47/1260328247.db2.gz UCTUDJKFWOXYLA-LJQANCHMSA-N 2 0 358.490 0.871 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)c2ccccc2)CC1 ZINC001263103053 1260342340 /nfs/dbraw/zinc/34/23/40/1260342340.db2.gz MPWUZBMKJPWUOM-AZUAARDMSA-N 2 0 360.502 0.596 20 0 FCADRP O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001337409237 1260391987 /nfs/dbraw/zinc/39/19/87/1260391987.db2.gz KFIGRZJAAWPVKT-HZPDHXFCSA-N 2 0 372.469 0.928 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001265478898 1260414136 /nfs/dbraw/zinc/41/41/36/1260414136.db2.gz SITBMRCACXZXHQ-DRXUAVOGSA-N 2 0 362.474 0.861 20 0 FCADRP c1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@@H+]2CCCOCC2)n1 ZINC001337847474 1260498528 /nfs/dbraw/zinc/49/85/28/1260498528.db2.gz UZZAUEXNUMMUMR-UHFFFAOYSA-N 2 0 365.482 0.140 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C(=O)C34CC[NH+](CC3)CC4)CC2)C1=O ZINC001273045936 1260575317 /nfs/dbraw/zinc/57/53/17/1260575317.db2.gz PHOLJPMBKKTCKI-UHFFFAOYSA-N 2 0 362.518 0.875 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@H+](C[C@H]1CCC(=O)N1)C2 ZINC001278472014 1260696009 /nfs/dbraw/zinc/69/60/09/1260696009.db2.gz ZGEKWHWBOOZBMR-SJORKVTESA-N 2 0 360.502 0.674 20 0 FCADRP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001278478957 1260697960 /nfs/dbraw/zinc/69/79/60/1260697960.db2.gz GKDDAVFFNFEZRO-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCC2(C[NH+](CCN3CCOCC3)C2)C1 ZINC001279246202 1260809309 /nfs/dbraw/zinc/80/93/09/1260809309.db2.gz KXORKNLOAQJLGR-SFHVURJKSA-N 2 0 362.518 0.337 20 0 FCADRP O=C1CCC[C@]2(CN(CCn3ccnc3)CC[N@H+](C[C@H]3CCCO3)C2)N1 ZINC001279467094 1260874548 /nfs/dbraw/zinc/87/45/48/1260874548.db2.gz HOVFDYSMXNUHGY-IEBWSBKVSA-N 2 0 361.490 0.719 20 0 FCADRP COCCOCN1CC[N@H+](CC2CC[NH2+]CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279614717 1260898768 /nfs/dbraw/zinc/89/87/68/1260898768.db2.gz ASWGWCCDDMOYNF-IBGZPJMESA-N 2 0 368.522 0.263 20 0 FCADRP C[NH+]1CCC(CC[NH+]2CC3(CN(C(=O)Cn4cccnc4=O)C3)C2)CC1 ZINC001279636699 1260905716 /nfs/dbraw/zinc/90/57/16/1260905716.db2.gz QKLIMWQKKHKNEG-UHFFFAOYSA-N 2 0 359.474 0.119 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(-n4cncn4)c3)C[C@H]21 ZINC001279675554 1260913182 /nfs/dbraw/zinc/91/31/82/1260913182.db2.gz UKAJFJBBQIKUPL-MOPGFXCFSA-N 2 0 356.474 0.714 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332312993 1266375560 /nfs/dbraw/zinc/37/55/60/1266375560.db2.gz KOXQNRAMOGYQPQ-HNNXBMFYSA-N 2 0 372.469 0.622 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C23CC([NH2+]Cc4cccnn4)(C2)C3)cn1 ZINC001279854159 1260943824 /nfs/dbraw/zinc/94/38/24/1260943824.db2.gz YSAFNCSIYPSZAP-UHFFFAOYSA-N 2 0 355.446 0.886 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12 ZINC001279892310 1260953495 /nfs/dbraw/zinc/95/34/95/1260953495.db2.gz PLQOLFMYFYHVFO-DLBZAZTESA-N 2 0 366.506 0.900 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC001280093629 1261000375 /nfs/dbraw/zinc/00/03/75/1261000375.db2.gz RVVGYWIZRUASJU-HOTGVXAUSA-N 2 0 357.458 0.187 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280134997 1261013400 /nfs/dbraw/zinc/01/34/00/1261013400.db2.gz IKJJKVGIIRTONN-SFHVURJKSA-N 3 0 364.534 0.772 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332341730 1266381517 /nfs/dbraw/zinc/38/15/17/1266381517.db2.gz RJVMSAIXXCCGJM-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280206502 1261033262 /nfs/dbraw/zinc/03/32/62/1261033262.db2.gz NMLNZRYXXWBOAM-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1nnnc1NC(=O)[C@@H]1CC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001280211058 1261033786 /nfs/dbraw/zinc/03/37/86/1261033786.db2.gz MPTMZEIUSYVDBF-AWEZNQCLSA-N 2 0 361.494 0.983 20 0 FCADRP CCNC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215141 1261035820 /nfs/dbraw/zinc/03/58/20/1261035820.db2.gz KWGSYAIFJJETJD-PXNSSMCTSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)c2n[nH]c3c2CN(CC[NH+](C)C)C3)cn1 ZINC001280220695 1261038626 /nfs/dbraw/zinc/03/86/26/1261038626.db2.gz DEIHEOBMTUJCPN-UHFFFAOYSA-N 2 0 360.466 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001281841476 1261225563 /nfs/dbraw/zinc/22/55/63/1261225563.db2.gz BKZHRDWNISRTHZ-USXIJHARSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1)[NH+](C)C ZINC001282305391 1261410251 /nfs/dbraw/zinc/41/02/51/1261410251.db2.gz WXRYVERYGGXQLC-IKGGRYGDSA-N 2 0 364.534 0.975 20 0 FCADRP Cc1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)ccc1N1CC[NH+](C)CC1 ZINC001332499503 1266418212 /nfs/dbraw/zinc/41/82/12/1266418212.db2.gz JYKXVFXQEOUGTO-KRWDZBQOSA-N 2 0 373.501 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580322849 1278124241 /nfs/dbraw/zinc/12/42/41/1278124241.db2.gz WEMYAPIMQNUYIH-MGPQQGTHSA-N 2 0 370.461 0.142 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001289119694 1262114752 /nfs/dbraw/zinc/11/47/52/1262114752.db2.gz HFLHLWWFDIKDLC-HZPDHXFCSA-N 2 0 359.430 0.206 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C[C@@H]1O ZINC001289696805 1262312590 /nfs/dbraw/zinc/31/25/90/1262312590.db2.gz UQSZRMZTBBDOLU-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001290527895 1262464183 /nfs/dbraw/zinc/46/41/83/1262464183.db2.gz LZVQSRJEYKFQNE-ZACQAIPSSA-N 2 0 350.507 0.587 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001312142002 1263273807 /nfs/dbraw/zinc/27/38/07/1263273807.db2.gz VSVFVRFJWNHQFH-KRWDZBQOSA-N 2 0 367.538 0.912 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001479668059 1263325026 /nfs/dbraw/zinc/32/50/26/1263325026.db2.gz GZCSSHKPWBWAPV-IXDOHACOSA-N 2 0 351.491 0.402 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317394212 1263510048 /nfs/dbraw/zinc/51/00/48/1263510048.db2.gz YRDIMQLFWXGMOI-NILFDRSVSA-N 2 0 364.494 0.790 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCNC(=O)C2CC2)C3)CC[N@@H+]1C ZINC001485663001 1263512079 /nfs/dbraw/zinc/51/20/79/1263512079.db2.gz QDYBHAVSJIFCKR-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001318580329 1263588474 /nfs/dbraw/zinc/58/84/74/1263588474.db2.gz QNQHNSUNUYRFLL-UHFFFAOYSA-N 2 0 373.501 0.897 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001318870960 1263621584 /nfs/dbraw/zinc/62/15/84/1263621584.db2.gz JZWZENBGRYDIQF-FGTMMUONSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001321572114 1263997675 /nfs/dbraw/zinc/99/76/75/1263997675.db2.gz VZFZYKDWGGAICF-UHFFFAOYSA-N 2 0 373.501 0.265 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC[N@@H+]1C ZINC001580389414 1278212899 /nfs/dbraw/zinc/21/28/99/1278212899.db2.gz DUARUTAGWCQPJK-CXKPUVAFSA-N 2 0 368.445 0.153 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCOC3)CC2)CC1 ZINC001322012200 1264131136 /nfs/dbraw/zinc/13/11/36/1264131136.db2.gz YUKGDDRYFWRZKK-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001580389348 1278216335 /nfs/dbraw/zinc/21/63/35/1278216335.db2.gz BMOWDFINLXIJJL-BASLNEPJSA-N 2 0 369.473 0.944 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580400705 1278225402 /nfs/dbraw/zinc/22/54/02/1278225402.db2.gz KFUFWQDUEFCYKU-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[C@H](C)O1 ZINC001322954386 1264300349 /nfs/dbraw/zinc/30/03/49/1264300349.db2.gz DDJIYNZFYQJJLV-TWMKSMIVSA-N 2 0 368.522 0.591 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001325312520 1264843404 /nfs/dbraw/zinc/84/34/04/1264843404.db2.gz ZBVOXQULSRKCCA-QGZVFWFLSA-N 2 0 361.490 0.698 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001325318995 1264845870 /nfs/dbraw/zinc/84/58/70/1264845870.db2.gz LWISXKACPFDARL-INIZCTEOSA-N 2 0 373.501 0.753 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001325317740 1264846784 /nfs/dbraw/zinc/84/67/84/1264846784.db2.gz BIABUCLMEROYCS-UHFFFAOYSA-N 2 0 373.501 0.632 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001325378017 1264865612 /nfs/dbraw/zinc/86/56/12/1264865612.db2.gz BVIIERPLUSRWAE-HNNXBMFYSA-N 2 0 374.485 0.473 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580402818 1278234346 /nfs/dbraw/zinc/23/43/46/1278234346.db2.gz HEQBDVUEBABIAK-LLVKDONJSA-N 2 0 363.491 0.864 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001325495114 1264908875 /nfs/dbraw/zinc/90/88/75/1264908875.db2.gz SVBORYIAQOTAFB-IBGZPJMESA-N 2 0 360.458 0.404 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326278021 1265090734 /nfs/dbraw/zinc/09/07/34/1265090734.db2.gz POCVCQUPELDDJE-HUUCEWRRSA-N 2 0 361.490 0.297 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001326633561 1265147521 /nfs/dbraw/zinc/14/75/21/1265147521.db2.gz NAFHONCHPNGEMZ-WTTBNOFXSA-N 2 0 362.478 0.704 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)C[NH2+]CC3)cn1 ZINC001326806799 1265170229 /nfs/dbraw/zinc/17/02/29/1265170229.db2.gz XHYAVEWFMGSNRB-UHFFFAOYSA-N 2 0 370.457 0.459 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)CN(CC[NH3+])Cc2ccccc2)CC1 ZINC001327195656 1265250390 /nfs/dbraw/zinc/25/03/90/1265250390.db2.gz GAOYWEYNDHEFHH-UHFFFAOYSA-N 2 0 361.534 0.590 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001514148895 1265327348 /nfs/dbraw/zinc/32/73/48/1265327348.db2.gz BYYWTPAHKYVZDT-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001327465933 1265332236 /nfs/dbraw/zinc/33/22/36/1265332236.db2.gz RNIXEJJKFNRMSK-IRXDYDNUSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001327546800 1265354662 /nfs/dbraw/zinc/35/46/62/1265354662.db2.gz YLZSCMGQRQWQRC-QGZVFWFLSA-N 2 0 362.474 0.331 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001580417678 1278268986 /nfs/dbraw/zinc/26/89/86/1278268986.db2.gz IALPYVGOJCYMBK-NEPJUHHUSA-N 2 0 367.417 0.059 20 0 FCADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636429 1266661232 /nfs/dbraw/zinc/66/12/32/1266661232.db2.gz SFWSZDSAESRRLH-QZTJIDSGSA-N 2 0 369.469 0.650 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001524009212 1266675578 /nfs/dbraw/zinc/67/55/78/1266675578.db2.gz PQUFJFJTGWVUOB-IRXDYDNUSA-N 2 0 359.474 0.162 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC001333732549 1266694465 /nfs/dbraw/zinc/69/44/65/1266694465.db2.gz NUZIADULJJTOLQ-GOSISDBHSA-N 2 0 372.513 0.859 20 0 FCADRP CSCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001333820645 1266728015 /nfs/dbraw/zinc/72/80/15/1266728015.db2.gz OYMLWSSJRWCFKI-UHFFFAOYSA-N 2 0 365.503 0.189 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001334004675 1266774098 /nfs/dbraw/zinc/77/40/98/1266774098.db2.gz AKPFXBYPZMNICP-QAQDUYKDSA-N 2 0 350.507 0.955 20 0 FCADRP [NH3+][C@H]1C[C@H](NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1 ZINC001580429006 1278290923 /nfs/dbraw/zinc/29/09/23/1278290923.db2.gz NBDQJLDXQPXKLM-LUKYLMHMSA-N 2 0 357.458 0.374 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001528130970 1266947257 /nfs/dbraw/zinc/94/72/57/1266947257.db2.gz PHDGOXHGCCWQOU-JKSUJKDBSA-N 2 0 355.527 0.155 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001580447762 1278308586 /nfs/dbraw/zinc/30/85/86/1278308586.db2.gz FBWVLBXOXJELJK-AGIUHOORSA-N 2 0 358.450 0.331 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001334829506 1267192625 /nfs/dbraw/zinc/19/26/25/1267192625.db2.gz WHDZTASDRAQUQF-HNNXBMFYSA-N 2 0 359.474 0.754 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC001334956083 1267246427 /nfs/dbraw/zinc/24/64/27/1267246427.db2.gz MZWFMUIEGINUMH-UHFFFAOYSA-N 2 0 355.504 0.731 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](n2nnnc2N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC001335012955 1267278016 /nfs/dbraw/zinc/27/80/16/1267278016.db2.gz LGXRZNSOSMJWJA-AWEZNQCLSA-N 2 0 351.499 0.611 20 0 FCADRP CCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001546534071 1267655430 /nfs/dbraw/zinc/65/54/30/1267655430.db2.gz PTCQUWUWIYFQRD-IBGZPJMESA-N 2 0 362.522 0.972 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1c1ccc(F)cc1 ZINC001549030568 1267792092 /nfs/dbraw/zinc/79/20/92/1267792092.db2.gz ZTMBXHBAOXWGGP-OWCLPIDISA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC001549047666 1267795244 /nfs/dbraw/zinc/79/52/44/1267795244.db2.gz VZELBGXNDVMOLM-BZUAXINKSA-N 2 0 362.478 0.561 20 0 FCADRP [NH3+][C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549073532 1267799253 /nfs/dbraw/zinc/79/92/53/1267799253.db2.gz MNEXIWZYXGSFND-QRVBRYPASA-N 2 0 369.469 0.391 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C[C@@H]2[NH3+])cn1 ZINC001549074358 1267799364 /nfs/dbraw/zinc/79/93/64/1267799364.db2.gz SGUADCHFGHCJRJ-IRXDYDNUSA-N 2 0 369.473 0.134 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1=O ZINC001549134806 1267820384 /nfs/dbraw/zinc/82/03/84/1267820384.db2.gz SAYFUSSZMFOUEO-AXVVYFOYSA-N 2 0 362.518 0.907 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]2[NH3+])cn1 ZINC001549217243 1267859864 /nfs/dbraw/zinc/85/98/64/1267859864.db2.gz JCAFGZFMJBMZQJ-QZTJIDSGSA-N 2 0 360.506 0.978 20 0 FCADRP C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338449509 1267944232 /nfs/dbraw/zinc/94/42/32/1267944232.db2.gz UMYFTNXOHFYZID-NXHRZFHOSA-N 2 0 365.522 0.317 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001549734542 1267981147 /nfs/dbraw/zinc/98/11/47/1267981147.db2.gz RAXLLRMPBKSQRE-PKOBYXMFSA-N 2 0 356.470 0.709 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)c1cc2c(s1)CC[NH2+]C2 ZINC001549742518 1267984838 /nfs/dbraw/zinc/98/48/38/1267984838.db2.gz VINIZLSVIILYAT-SUMWQHHRSA-N 2 0 362.499 0.770 20 0 FCADRP CC1(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)OCCO1 ZINC001338580541 1267993908 /nfs/dbraw/zinc/99/39/08/1267993908.db2.gz ADEGKIXUXBOILS-IYBDPMFKSA-N 2 0 352.479 0.750 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001550005042 1268044632 /nfs/dbraw/zinc/04/46/32/1268044632.db2.gz RILDLUUTCKDQPO-OTWHNJEPSA-N 2 0 364.534 0.582 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC001550005403 1268045769 /nfs/dbraw/zinc/04/57/69/1268045769.db2.gz SGTSRMUYVASCDD-KZNAEPCWSA-N 2 0 374.533 0.865 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704224 1268053273 /nfs/dbraw/zinc/05/32/73/1268053273.db2.gz MTHXPGADVIOLEP-YOEHRIQHSA-N 2 0 350.463 0.409 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113303 1268075941 /nfs/dbraw/zinc/07/59/41/1268075941.db2.gz QVRDEXJDXXGSKH-MOPGFXCFSA-N 2 0 360.502 0.976 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@H](C[NH3+])c3ccccc32)nn1 ZINC001550120373 1268079488 /nfs/dbraw/zinc/07/94/88/1268079488.db2.gz NBLVYMJOCJPVCA-DDUZABMNSA-N 2 0 370.457 0.459 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC001550200368 1268091570 /nfs/dbraw/zinc/09/15/70/1268091570.db2.gz DZOZUGRDVVYESF-DOTOQJQBSA-N 2 0 370.457 0.998 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001550286133 1268103732 /nfs/dbraw/zinc/10/37/32/1268103732.db2.gz OMRPBKSLEPWMPK-BRWVUGGUSA-N 2 0 366.506 0.683 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001550285487 1268104175 /nfs/dbraw/zinc/10/41/75/1268104175.db2.gz QNDRMVQELSKYIV-UONOGXRCSA-N 2 0 369.416 0.866 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](O)C2 ZINC001550478841 1268124306 /nfs/dbraw/zinc/12/43/06/1268124306.db2.gz XVXPPYQPEMUHRZ-DFEOGRTESA-N 2 0 363.506 0.654 20 0 FCADRP Cn1nccc1[C@H]1[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCC(=O)N1C ZINC001550673761 1268147095 /nfs/dbraw/zinc/14/70/95/1268147095.db2.gz UHNLCIOCXRZOGM-CRAIPNDOSA-N 2 0 363.506 0.907 20 0 FCADRP Cn1nccc1[C@@H]1[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704544 1268153214 /nfs/dbraw/zinc/15/32/14/1268153214.db2.gz ZUMGYSXUZZXWDG-BXWFABGCSA-N 2 0 373.501 0.973 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C(F)(F)F ZINC001550757838 1268163156 /nfs/dbraw/zinc/16/31/56/1268163156.db2.gz QEOKMEIXXBZKOA-SDDRHHMPSA-N 2 0 350.385 0.676 20 0 FCADRP COc1ccc(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC001550911818 1268184208 /nfs/dbraw/zinc/18/42/08/1268184208.db2.gz GEOVEZGROYDFAK-LPHOPBHVSA-N 2 0 360.458 0.870 20 0 FCADRP Cn1cc(-c2cc(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)on2)cn1 ZINC001550913973 1268184526 /nfs/dbraw/zinc/18/45/26/1268184526.db2.gz QZCZXIIOXHEUOZ-YJBOKZPZSA-N 2 0 358.446 0.812 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001551099962 1268204033 /nfs/dbraw/zinc/20/40/33/1268204033.db2.gz KLTNRBPSSPTJSJ-VJANTYMQSA-N 2 0 365.518 0.791 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001551216127 1268213019 /nfs/dbraw/zinc/21/30/19/1268213019.db2.gz BOMFWWFRELKPOF-IPMKNSEASA-N 2 0 359.518 0.877 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC001551216112 1268214135 /nfs/dbraw/zinc/21/41/35/1268214135.db2.gz BOMFWWFRELKPOF-FHWLQOOXSA-N 2 0 359.518 0.877 20 0 FCADRP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC001551229805 1268215077 /nfs/dbraw/zinc/21/50/77/1268215077.db2.gz RUTBSVIRKXDVAA-OKYOBFRVSA-N 2 0 358.486 0.792 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551283648 1268222289 /nfs/dbraw/zinc/22/22/89/1268222289.db2.gz USPFIETXCFXRHS-VMWRSERWSA-N 2 0 354.495 0.386 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C2CC[NH2+]CC2)N1 ZINC001551392879 1268231858 /nfs/dbraw/zinc/23/18/58/1268231858.db2.gz WODUGFDVSNAQCI-XYJFISCASA-N 3 0 350.507 0.382 20 0 FCADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464323 1268256923 /nfs/dbraw/zinc/25/69/23/1268256923.db2.gz NVQMCESNRYRHSG-PMPSAXMXSA-N 2 0 354.495 0.242 20 0 FCADRP CC1([NH+]2CCCC2)CCC(NC(=O)N2C[C@@H]([NH3+])[C@@H](n3ccnn3)C2)CC1 ZINC001551471626 1268258215 /nfs/dbraw/zinc/25/82/15/1268258215.db2.gz RSZPRLKSHIBBQK-NDUQDZPOSA-N 2 0 361.494 0.969 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@H]12 ZINC001551469370 1268258226 /nfs/dbraw/zinc/25/82/26/1268258226.db2.gz YQRJFDPNFPQNNZ-GBESFXJTSA-N 2 0 357.502 0.971 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551505816 1268262033 /nfs/dbraw/zinc/26/20/33/1268262033.db2.gz XFXQPATZVAENDY-BNQMIIOLSA-N 2 0 354.495 0.778 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001551498053 1268262283 /nfs/dbraw/zinc/26/22/83/1268262283.db2.gz PDOWUJXDIKJBSI-UHFFFAOYSA-N 2 0 367.538 0.742 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551517754 1268262896 /nfs/dbraw/zinc/26/28/96/1268262896.db2.gz HKQBRFBGJIHPBB-PKOBYXMFSA-N 2 0 373.501 0.853 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001551552485 1268265188 /nfs/dbraw/zinc/26/51/88/1268265188.db2.gz DWEQJHKZLKIJJZ-OWIUFQIYSA-N 2 0 363.506 0.274 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)CC[C@H]21 ZINC001551556020 1268267562 /nfs/dbraw/zinc/26/75/62/1268267562.db2.gz QWRANLBMFDSEPN-YFHUEUNASA-N 2 0 363.506 0.369 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551555293 1268267606 /nfs/dbraw/zinc/26/76/06/1268267606.db2.gz NMMASLPTYRAJDH-NVXWUHKLSA-N 2 0 365.522 0.664 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557267 1268268414 /nfs/dbraw/zinc/26/84/14/1268268414.db2.gz UUHMJVMAYNFRFP-NVXWUHKLSA-N 2 0 365.522 0.759 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556704 1268268527 /nfs/dbraw/zinc/26/85/27/1268268527.db2.gz STKBQELHMZQHPZ-BFYDXBDKSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551558908 1268269539 /nfs/dbraw/zinc/26/95/39/1268269539.db2.gz FMICYOOFTQFFEE-QANKJYHBSA-N 2 0 363.506 0.417 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001551558315 1268269997 /nfs/dbraw/zinc/26/99/97/1268269997.db2.gz YHPOGFBRBKIPSW-VDZJLULYSA-N 2 0 363.506 0.561 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551558921 1268270161 /nfs/dbraw/zinc/27/01/61/1268270161.db2.gz FMICYOOFTQFFEE-SKDZVZGDSA-N 2 0 363.506 0.417 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551564952 1268272734 /nfs/dbraw/zinc/27/27/34/1268272734.db2.gz VGQUAUCNCGFNHG-LXZKKBNFSA-N 2 0 351.495 0.226 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551568880 1268273847 /nfs/dbraw/zinc/27/38/47/1268273847.db2.gz CMKPITYTOCKEOZ-OCABDXPQSA-N 2 0 363.506 0.321 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551576891 1268275684 /nfs/dbraw/zinc/27/56/84/1268275684.db2.gz KQSBBJTZUJYKNB-WMZOPIPTSA-N 2 0 365.522 0.761 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551581405 1268277480 /nfs/dbraw/zinc/27/74/80/1268277480.db2.gz QXTSLMIPQPOKNR-YQQAZPJKSA-N 2 0 351.495 0.369 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001551579746 1268278015 /nfs/dbraw/zinc/27/80/15/1268278015.db2.gz PCLYYCGTXHXOAG-IEZWGBDMSA-N 2 0 363.506 0.418 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596436 1268281963 /nfs/dbraw/zinc/28/19/63/1268281963.db2.gz TZJFTVGWSCDLFN-QILLFSRXSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551594752 1268282456 /nfs/dbraw/zinc/28/24/56/1268282456.db2.gz QAXZMHOTJSJXHK-GFOCRRMGSA-N 2 0 363.506 0.511 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552098304 1268372283 /nfs/dbraw/zinc/37/22/83/1268372283.db2.gz UCERAXHMTSKUIU-OALUTQOASA-N 2 0 368.485 0.915 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC001552154858 1268395763 /nfs/dbraw/zinc/39/57/63/1268395763.db2.gz URKRLEBMAWGTRW-KZNAEPCWSA-N 2 0 350.507 0.097 20 0 FCADRP Cn1ccnc1CN(C(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1CC12CC[NH2+]CC2 ZINC001552217523 1268413491 /nfs/dbraw/zinc/41/34/91/1268413491.db2.gz OSZPZHKIZCBORB-VCBZYWHSSA-N 2 0 359.474 0.127 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CCc3sc(C[NH3+])nc3C2)cnn1C ZINC001552283360 1268431644 /nfs/dbraw/zinc/43/16/44/1268431644.db2.gz RGAAIJMYLPUTNC-CHWSQXEVSA-N 2 0 360.487 0.532 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001340111646 1268438694 /nfs/dbraw/zinc/43/86/94/1268438694.db2.gz GPPIFVFVOKUGPN-IAGOWNOFSA-N 2 0 361.490 0.152 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC001552340804 1268444391 /nfs/dbraw/zinc/44/43/91/1268444391.db2.gz BWMYOWGZQZLABG-CQSZACIVSA-N 2 0 351.520 0.999 20 0 FCADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C[C@H]2C1 ZINC001552337678 1268444696 /nfs/dbraw/zinc/44/46/96/1268444696.db2.gz GEJPVIJHAXPXTB-QBYUYEEZSA-N 2 0 361.494 0.814 20 0 FCADRP Cc1c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435278 1268461893 /nfs/dbraw/zinc/46/18/93/1268461893.db2.gz CXTVTEHMIDXUIX-GOEBONIOSA-N 2 0 361.494 0.019 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001552436112 1268463552 /nfs/dbraw/zinc/46/35/52/1268463552.db2.gz ZZERCMUXBGQWRC-HZPDHXFCSA-N 2 0 360.506 0.727 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340239704 1268482721 /nfs/dbraw/zinc/48/27/21/1268482721.db2.gz BBEFUOGGAMDHHE-YWZLYKJASA-N 2 0 360.502 0.938 20 0 FCADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC001552698806 1268523082 /nfs/dbraw/zinc/52/30/82/1268523082.db2.gz VAJFKFORAVFQKG-ZBFHGGJFSA-N 2 0 359.474 0.717 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)CC1 ZINC001552797646 1268549917 /nfs/dbraw/zinc/54/99/17/1268549917.db2.gz MTPYBBAKUUQBGW-IRXDYDNUSA-N 2 0 363.510 0.897 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@H]4C[NH2+]C[C@@H]43)cc21 ZINC001552844723 1268558303 /nfs/dbraw/zinc/55/83/03/1268558303.db2.gz QXMYPRLMOZHLEX-HOTGVXAUSA-N 2 0 359.430 0.116 20 0 FCADRP Cc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552847230 1268559853 /nfs/dbraw/zinc/55/98/53/1268559853.db2.gz QAABVVNCTRDIMZ-SRVKXCTJSA-N 2 0 360.384 0.720 20 0 FCADRP Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)nnn1[C@@H]1CC[NH2+]C1 ZINC001552924431 1268566469 /nfs/dbraw/zinc/56/64/69/1268566469.db2.gz AQWXGHBXYWXZKH-CZUORRHYSA-N 2 0 355.446 0.867 20 0 FCADRP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372425 1268638715 /nfs/dbraw/zinc/63/87/15/1268638715.db2.gz JBEYLOXEUFGHOM-QOKNQOGYSA-N 2 0 354.458 0.986 20 0 FCADRP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372424 1268639011 /nfs/dbraw/zinc/63/90/11/1268639011.db2.gz JBEYLOXEUFGHOM-GMBSWORKSA-N 2 0 354.458 0.986 20 0 FCADRP CN1CC[C@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378081 1268640188 /nfs/dbraw/zinc/64/01/88/1268640188.db2.gz JKEYYMGUVVOLDB-LPHOPBHVSA-N 2 0 363.506 0.278 20 0 FCADRP CN(C)C(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cc1 ZINC001553389357 1268641985 /nfs/dbraw/zinc/64/19/85/1268641985.db2.gz LDWOULWLYAGOHP-IFXJQAMLSA-N 2 0 360.458 0.633 20 0 FCADRP CCNC(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cc1 ZINC001553389374 1268643013 /nfs/dbraw/zinc/64/30/13/1268643013.db2.gz LEROQRBKOWQDSV-KUHUBIRLSA-N 2 0 360.458 0.681 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553388041 1268643293 /nfs/dbraw/zinc/64/32/93/1268643293.db2.gz DGYJKWOHBMPVPJ-IFXJQAMLSA-N 2 0 371.441 0.218 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001553461609 1268655741 /nfs/dbraw/zinc/65/57/41/1268655741.db2.gz CSWGPGSTTMGXOK-BRWVUGGUSA-N 2 0 366.506 0.432 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553505632 1268660035 /nfs/dbraw/zinc/66/00/35/1268660035.db2.gz UOTCKKYKLRFWGW-MJBXVCDLSA-N 2 0 363.428 0.464 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C[C@H]2[NH3+])c1 ZINC001553513390 1268661503 /nfs/dbraw/zinc/66/15/03/1268661503.db2.gz ZCDYRYXMIKJZSX-DJIMGWMZSA-N 2 0 354.458 0.743 20 0 FCADRP CO[C@@H]1CCOC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553535738 1268665392 /nfs/dbraw/zinc/66/53/92/1268665392.db2.gz BGULJHIUWZWQGF-VVLHAWIVSA-N 2 0 352.479 0.401 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@H]3CCC[NH2+]C[C@H]3F)n2)C1 ZINC001553545141 1268667052 /nfs/dbraw/zinc/66/70/52/1268667052.db2.gz BZSVUOHDIQJYPS-YUELXQCFSA-N 2 0 350.442 0.508 20 0 FCADRP C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553546594 1268667374 /nfs/dbraw/zinc/66/73/74/1268667374.db2.gz HYIFQIMUCIWDSK-JKSUJKDBSA-N 2 0 365.522 0.747 20 0 FCADRP CN1CCN(C(=O)Cc2ccc(NC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340825225 1268670603 /nfs/dbraw/zinc/67/06/03/1268670603.db2.gz WVPSNRNICJLJFA-FQEVSTJZSA-N 2 0 374.485 0.446 20 0 FCADRP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@H]3C2)n1 ZINC001553620484 1268670965 /nfs/dbraw/zinc/67/09/65/1268670965.db2.gz GNLFFKMNPVHHRJ-FSDCSDTHSA-N 2 0 361.490 0.447 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001340863897 1268685327 /nfs/dbraw/zinc/68/53/27/1268685327.db2.gz CEZGPLCMOWMDAT-QGZVFWFLSA-N 2 0 354.495 0.047 20 0 FCADRP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001341060672 1268765780 /nfs/dbraw/zinc/76/57/80/1268765780.db2.gz WALGLPYDQIAVLV-MRXNPFEDSA-N 2 0 361.490 0.974 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341102554 1268785195 /nfs/dbraw/zinc/78/51/95/1268785195.db2.gz JSKIEWLITPPGQZ-NWANDNLSSA-N 2 0 369.535 0.204 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341102555 1268785305 /nfs/dbraw/zinc/78/53/05/1268785305.db2.gz JSKIEWLITPPGQZ-QEJZJMRPSA-N 2 0 369.535 0.204 20 0 FCADRP C[C@H]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001341184835 1268844467 /nfs/dbraw/zinc/84/44/67/1268844467.db2.gz QPRRCIVZUGFKRK-IRXDYDNUSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC001341244070 1268884339 /nfs/dbraw/zinc/88/43/39/1268884339.db2.gz LCGCAWDMXXYVBS-FHLIZLRMSA-N 2 0 372.469 0.922 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC001341244073 1268886016 /nfs/dbraw/zinc/88/60/16/1268886016.db2.gz LCGCAWDMXXYVBS-ZTFGCOKTSA-N 2 0 372.469 0.922 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001341344763 1268945560 /nfs/dbraw/zinc/94/55/60/1268945560.db2.gz JVDPIIWLMHTESN-HNNXBMFYSA-N 2 0 350.467 0.679 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001341701535 1269157959 /nfs/dbraw/zinc/15/79/59/1269157959.db2.gz VNEYPIYDRJFGKJ-QGZVFWFLSA-N 2 0 368.522 0.627 20 0 FCADRP CC(=O)NC1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001560886304 1269208591 /nfs/dbraw/zinc/20/85/91/1269208591.db2.gz ZASNDIPFFKRBIS-UHFFFAOYSA-N 2 0 352.523 0.820 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001342248284 1269408804 /nfs/dbraw/zinc/40/88/04/1269408804.db2.gz QUSZVZKAYCADPA-FQEVSTJZSA-N 2 0 360.502 0.602 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001343087442 1269764107 /nfs/dbraw/zinc/76/41/07/1269764107.db2.gz JWFIVKCDXSMEJU-BZUAXINKSA-N 2 0 368.522 0.256 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCS(=O)(=O)CC3)CC2)CC[N@@H+]1C ZINC001569401301 1269780643 /nfs/dbraw/zinc/78/06/43/1269780643.db2.gz NECBWCQPBYOFIB-UKRRQHHQSA-N 2 0 357.520 0.390 20 0 FCADRP O=C(Cc1ccccc1)OCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001580574229 1278510935 /nfs/dbraw/zinc/51/09/35/1278510935.db2.gz ZPZROTXNQQLUMR-ZACQAIPSSA-N 2 0 359.426 0.639 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001343439584 1269910523 /nfs/dbraw/zinc/91/05/23/1269910523.db2.gz RTVJBPFUWZKTQY-FQEVSTJZSA-N 2 0 361.486 0.764 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)CCC1 ZINC001343454498 1269914479 /nfs/dbraw/zinc/91/44/79/1269914479.db2.gz WKTLXPJZHXRJOK-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001572966962 1270424150 /nfs/dbraw/zinc/42/41/50/1270424150.db2.gz XNBKPUQUUFFOLL-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001573062414 1270583443 /nfs/dbraw/zinc/58/34/43/1270583443.db2.gz FSYKYOVTWUZUKM-NUJGCVRESA-N 2 0 352.523 0.974 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001573377306 1270766471 /nfs/dbraw/zinc/76/64/71/1270766471.db2.gz KKZCRJXNVPQOHT-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574252472 1271122158 /nfs/dbraw/zinc/12/21/58/1271122158.db2.gz IEYNTSOFWBDZGM-ZDUSSCGKSA-N 2 0 358.450 0.427 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574260564 1271132028 /nfs/dbraw/zinc/13/20/28/1271132028.db2.gz MIYHINZYYKRLEO-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261031 1271133694 /nfs/dbraw/zinc/13/36/94/1271133694.db2.gz CWHWGZDOIBZPBG-HNNXBMFYSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001574276619 1271152782 /nfs/dbraw/zinc/15/27/82/1271152782.db2.gz DUTLJIIHVCENQB-UHFFFAOYSA-N 2 0 360.466 0.887 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574288225 1271163025 /nfs/dbraw/zinc/16/30/25/1271163025.db2.gz GNBWAPAQCPGXOS-HNNXBMFYSA-N 2 0 370.461 0.617 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543188 1271326563 /nfs/dbraw/zinc/32/65/63/1271326563.db2.gz GXHKVFQRJLJMLV-OLZOCXBDSA-N 2 0 360.466 0.719 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595136 1271392889 /nfs/dbraw/zinc/39/28/89/1271392889.db2.gz DRMBOBVBMHQBMG-ZFWWWQNUSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574593909 1271393219 /nfs/dbraw/zinc/39/32/19/1271393219.db2.gz WOPPIPGNDWQWPZ-LBPRGKRZSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595133 1271393794 /nfs/dbraw/zinc/39/37/94/1271393794.db2.gz DRMBOBVBMHQBMG-DZGCQCFKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574593888 1271393980 /nfs/dbraw/zinc/39/39/80/1271393980.db2.gz WJLGLHHBSQJGLZ-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574781472 1271516263 /nfs/dbraw/zinc/51/62/63/1271516263.db2.gz KVMZCABIZYOVRQ-NEPJUHHUSA-N 2 0 363.491 0.816 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574854365 1271605681 /nfs/dbraw/zinc/60/56/81/1271605681.db2.gz LQSYFRFWVIBFFL-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870873 1271621581 /nfs/dbraw/zinc/62/15/81/1271621581.db2.gz DWQRNCQVJDPTGG-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874823 1271629091 /nfs/dbraw/zinc/62/90/91/1271629091.db2.gz DVHZWCKLRIWVCF-AAEUAGOBSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575114892 1271725230 /nfs/dbraw/zinc/72/52/30/1271725230.db2.gz KZYUKBOEUHJBIM-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cn[nH]n1 ZINC001575353101 1271981740 /nfs/dbraw/zinc/98/17/40/1271981740.db2.gz VGAFNSSAQAPVEA-FMKPAKJESA-N 2 0 351.499 0.883 20 0 FCADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575403173 1272053701 /nfs/dbraw/zinc/05/37/01/1272053701.db2.gz VLTQHIOGMMQWSX-KBPBESRZSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC12CC[NH+]([C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)CC2 ZINC001575524985 1272178400 /nfs/dbraw/zinc/17/84/00/1272178400.db2.gz XISONDVIVOIBDB-OAGGEKHMSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565852 1272199656 /nfs/dbraw/zinc/19/96/56/1272199656.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 2 0 364.494 0.096 20 0 FCADRP CC(C)Cn1c(N)c(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)c(=O)[nH]c1=O ZINC001575674160 1272285139 /nfs/dbraw/zinc/28/51/39/1272285139.db2.gz RJPFXFUEJKRQLK-UHFFFAOYSA-N 2 0 351.451 0.572 20 0 FCADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575681349 1272294117 /nfs/dbraw/zinc/29/41/17/1272294117.db2.gz DIAPZQXOYIYRQW-KGLIPLIRSA-N 2 0 370.523 0.058 20 0 FCADRP CC(C)[N@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575682373 1272294839 /nfs/dbraw/zinc/29/48/39/1272294839.db2.gz NZJHJGMWRZPKHI-OAHLLOKOSA-N 2 0 363.510 0.782 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)CO[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001575699078 1272319307 /nfs/dbraw/zinc/31/93/07/1272319307.db2.gz CCTJTPMEHYGLTR-GOSISDBHSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]([NH3+])Cc3ccncc3)CC2)CC1 ZINC001575699933 1272321040 /nfs/dbraw/zinc/32/10/40/1272321040.db2.gz KZJSRRDTHXQONQ-IBGZPJMESA-N 2 0 359.518 0.968 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CCC[NH+]1CCCCC1 ZINC001575711803 1272352048 /nfs/dbraw/zinc/35/20/48/1272352048.db2.gz LEKVFHAMUQYLDU-HNNXBMFYSA-N 2 0 363.510 0.830 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1CCC[NH+]1CCCC1 ZINC001575716756 1272359607 /nfs/dbraw/zinc/35/96/07/1272359607.db2.gz TUQQRERRNGFOFA-HNNXBMFYSA-N 2 0 363.510 0.830 20 0 FCADRP C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC001576007240 1272692399 /nfs/dbraw/zinc/69/23/99/1272692399.db2.gz AGDVMJVTFMAMIM-INIZCTEOSA-N 2 0 371.489 0.718 20 0 FCADRP C[C@H]1C[C@@H]([NH2+]CCc2cn[nH]n2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058795 1272795967 /nfs/dbraw/zinc/79/59/67/1272795967.db2.gz PTFLTXOSFGPOPG-GJZGRUSLSA-N 2 0 364.494 0.427 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576144321 1272958011 /nfs/dbraw/zinc/95/80/11/1272958011.db2.gz XORQLGFZFCICIC-CABCVRRESA-N 2 0 374.493 0.103 20 0 FCADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCN(S(C)(=O)=O)CC1 ZINC001576243387 1273017654 /nfs/dbraw/zinc/01/76/54/1273017654.db2.gz BQPLDRMXXUEBOX-GOEBONIOSA-N 2 0 359.536 0.795 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576245958 1273024826 /nfs/dbraw/zinc/02/48/26/1273024826.db2.gz KEBNZUGQGAKFAV-TZMCWYRMSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576256057 1273040372 /nfs/dbraw/zinc/04/03/72/1273040372.db2.gz NKDJEDZBBBYHIY-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP CC[C@@H](C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576483280 1273323820 /nfs/dbraw/zinc/32/38/20/1273323820.db2.gz SEPRIMUEPMEHPS-ZFWWWQNUSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491019 1273345114 /nfs/dbraw/zinc/34/51/14/1273345114.db2.gz RMMXOEGVHXKQKJ-SWLSCSKDSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576498332 1273357621 /nfs/dbraw/zinc/35/76/21/1273357621.db2.gz KKVSAGPWVMLMSW-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498133 1273358782 /nfs/dbraw/zinc/35/87/82/1273358782.db2.gz JOJWDCRLBBXWEC-HOCLYGCPSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501124 1273365523 /nfs/dbraw/zinc/36/55/23/1273365523.db2.gz VFPLGFHCXIQUOY-KOHJWAIASA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576505229 1273373040 /nfs/dbraw/zinc/37/30/40/1273373040.db2.gz FZOPKKXCIGIGTF-HNNXBMFYSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576505700 1273375559 /nfs/dbraw/zinc/37/55/59/1273375559.db2.gz KJEBXEGNSCJWSF-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576506666 1273377335 /nfs/dbraw/zinc/37/73/35/1273377335.db2.gz RQHPGMZNSOUUOF-OAHLLOKOSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576508604 1273379255 /nfs/dbraw/zinc/37/92/55/1273379255.db2.gz KPNIMHPEWOPOCX-PWSUYJOCSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576508602 1273379411 /nfs/dbraw/zinc/37/94/11/1273379411.db2.gz KNAXIIZNBMHPIL-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576511986 1273386950 /nfs/dbraw/zinc/38/69/50/1273386950.db2.gz IBBYKEOMDWYJCT-XHSDSOJGSA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@@H](C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576515906 1273398018 /nfs/dbraw/zinc/39/80/18/1273398018.db2.gz HVDBMVHWUWSCPI-QOZQQMKHSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](C(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518208 1273402307 /nfs/dbraw/zinc/40/23/07/1273402307.db2.gz KAICGXNMSGRPFG-JKSUJKDBSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576518782 1273404771 /nfs/dbraw/zinc/40/47/71/1273404771.db2.gz MWBZQLWNVOCNJX-ZUEPYMLJSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)[NH+](C)C ZINC001576522588 1273411035 /nfs/dbraw/zinc/41/10/35/1273411035.db2.gz XGLGBWTWERIKHT-GJZGRUSLSA-N 2 0 374.493 0.967 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794280 1273696134 /nfs/dbraw/zinc/69/61/34/1273696134.db2.gz DRANWKAQOAIHBF-CABCVRRESA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795226 1273697936 /nfs/dbraw/zinc/69/79/36/1273697936.db2.gz HQZJZOSSZYENJY-NWDGAFQWSA-N 2 0 363.491 0.864 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796663 1273700087 /nfs/dbraw/zinc/70/00/87/1273700087.db2.gz QKESXUUJVSGEIE-QWHCGFSZSA-N 2 0 358.450 0.250 20 0 FCADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1C[NH3+] ZINC001576801691 1273706507 /nfs/dbraw/zinc/70/65/07/1273706507.db2.gz SXCCCCVSWBCGOT-STQMWFEESA-N 2 0 354.476 0.579 20 0 FCADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823435 1273746492 /nfs/dbraw/zinc/74/64/92/1273746492.db2.gz MNARFOGCLCTFGQ-OCCSQVGLSA-N 2 0 372.477 0.641 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576830546 1273757032 /nfs/dbraw/zinc/75/70/32/1273757032.db2.gz GYVGDLGROIMELG-RVKKMQEKSA-N 2 0 364.494 0.037 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850003 1273801861 /nfs/dbraw/zinc/80/18/61/1273801861.db2.gz NZJPLQXRMWJPLR-KKUMJFAQSA-N 2 0 361.494 0.464 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902197 1273907114 /nfs/dbraw/zinc/90/71/14/1273907114.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 0 364.494 0.165 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001576995063 1274028117 /nfs/dbraw/zinc/02/81/17/1274028117.db2.gz IKKHWPJQGMCRLH-CABCVRRESA-N 2 0 365.526 0.932 20 0 FCADRP CC[C@@H](CO)[NH+]1CCN(C(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC001577089329 1274147929 /nfs/dbraw/zinc/14/79/29/1274147929.db2.gz KSWIUOXWVHZJQO-AWEZNQCLSA-N 2 0 358.483 0.097 20 0 FCADRP CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577445432 1274411160 /nfs/dbraw/zinc/41/11/60/1274411160.db2.gz SMCYVEWJCTUDQE-HNNXBMFYSA-N 2 0 363.510 0.783 20 0 FCADRP CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577507406 1274459913 /nfs/dbraw/zinc/45/99/13/1274459913.db2.gz SAZGDRRTHCJRCE-HNNXBMFYSA-N 2 0 363.510 0.783 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550909 1274491318 /nfs/dbraw/zinc/49/13/18/1274491318.db2.gz OMICRKCZXHANQN-DOMZBBRYSA-N 2 0 358.450 0.284 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560907 1274509975 /nfs/dbraw/zinc/50/99/75/1274509975.db2.gz KYCWPIZHMRMPSO-LBPRGKRZSA-N 2 0 360.466 0.498 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577565351 1274519535 /nfs/dbraw/zinc/51/95/35/1274519535.db2.gz RJESHEULBKFFDW-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577571349 1274533744 /nfs/dbraw/zinc/53/37/44/1274533744.db2.gz YKFFWFQFGLMFKU-ZDUSSCGKSA-N 2 0 360.466 0.935 20 0 FCADRP CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577597954 1274565806 /nfs/dbraw/zinc/56/58/06/1274565806.db2.gz MQFRRKJNRGSBLQ-AWEZNQCLSA-N 2 0 372.477 0.854 20 0 FCADRP CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001577687738 1274741387 /nfs/dbraw/zinc/74/13/87/1274741387.db2.gz RAIPXHQAVMPRAD-HUUCEWRRSA-N 2 0 363.510 0.889 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC001577691085 1274749788 /nfs/dbraw/zinc/74/97/88/1274749788.db2.gz JNQRGMGFZUMGCI-CAOSSQGBSA-N 2 0 357.520 0.199 20 0 FCADRP CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001577778265 1274871111 /nfs/dbraw/zinc/87/11/11/1274871111.db2.gz OVQZVXTVZVVTDQ-WBVHZDCISA-N 2 0 361.538 0.967 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2ccn(C)n2)C[C@H]1C ZINC001577782121 1274876899 /nfs/dbraw/zinc/87/68/99/1274876899.db2.gz VUNVLZPRUXIYKW-KFWWJZLASA-N 2 0 358.494 0.795 20 0 FCADRP CC[NH2+]C1CCN(c2nnc(COCC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001577827372 1274939142 /nfs/dbraw/zinc/93/91/42/1274939142.db2.gz HQYHYMZYAIOSLU-SFHVURJKSA-N 2 0 366.510 0.460 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852151 1274992068 /nfs/dbraw/zinc/99/20/68/1274992068.db2.gz KVQOSCCOBOERRU-AWEZNQCLSA-N 2 0 372.477 0.594 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577852356 1274997663 /nfs/dbraw/zinc/99/76/63/1274997663.db2.gz PEMAGCOBGUWCOT-OAHLLOKOSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577855266 1275006437 /nfs/dbraw/zinc/00/64/37/1275006437.db2.gz AFTQBXPUYQKUNL-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CC[N@H+](C)CCC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866937 1275045860 /nfs/dbraw/zinc/04/58/60/1275045860.db2.gz PPGSLNZYTSJXPT-WAYWQWQTSA-N 2 0 358.450 0.418 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867086 1275045912 /nfs/dbraw/zinc/04/59/12/1275045912.db2.gz UNDRHIXHJCGNMV-AWEZNQCLSA-N 2 0 372.477 0.854 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577867259 1275050022 /nfs/dbraw/zinc/05/00/22/1275050022.db2.gz YTYOCXPCTIVRFO-OAHLLOKOSA-N 2 0 360.466 0.578 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577885792 1275090799 /nfs/dbraw/zinc/09/07/99/1275090799.db2.gz OAZYOLNBZHSUDI-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888021 1275094149 /nfs/dbraw/zinc/09/41/49/1275094149.db2.gz ABMKLQPDHHOMKQ-STQMWFEESA-N 2 0 360.466 0.639 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001577932999 1275147488 /nfs/dbraw/zinc/14/74/88/1275147488.db2.gz WQZQBKHQBILZIY-HNNXBMFYSA-N 2 0 353.463 0.243 20 0 FCADRP CCN(CCNC(=O)C1(C[NH+](C)C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577934108 1275149220 /nfs/dbraw/zinc/14/92/20/1275149220.db2.gz NZCVPDZGCFJDSD-UHFFFAOYSA-N 2 0 358.450 0.546 20 0 FCADRP O=C(NCC1CC([NH2+]CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577998517 1275250687 /nfs/dbraw/zinc/25/06/87/1275250687.db2.gz OJEAOFBEFPQKFV-UHFFFAOYSA-N 2 0 366.429 0.726 20 0 FCADRP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CCCC[NH+]1CCOCC1 ZINC001578139522 1275439454 /nfs/dbraw/zinc/43/94/54/1275439454.db2.gz XQFPLXCJAGECAP-MRXNPFEDSA-N 2 0 366.510 0.855 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219543 1275516379 /nfs/dbraw/zinc/51/63/79/1275516379.db2.gz MNLFSMSZEBMMLH-XJKSGUPXSA-N 2 0 372.477 0.783 20 0 FCADRP C[NH+](C)[C@H](Cn1c(C2CC[NH2+]CC2)nnc1N1CCNC(=O)C1)C1CC1 ZINC001578407658 1275782020 /nfs/dbraw/zinc/78/20/20/1275782020.db2.gz ALDMIXKYPQJGGN-OAHLLOKOSA-N 2 0 361.494 0.022 20 0 FCADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3=NO[C@]4(CC[NH2+]C4)C3)nc2)C1 ZINC001578410777 1275783021 /nfs/dbraw/zinc/78/30/21/1275783021.db2.gz LSIHHOFLSFJODE-KBXCAEBGSA-N 2 0 358.446 0.669 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001578419970 1275788778 /nfs/dbraw/zinc/78/87/78/1275788778.db2.gz IFTWALWSSAEIMI-HOTGVXAUSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001578444157 1275829890 /nfs/dbraw/zinc/82/98/90/1275829890.db2.gz KWXIKZRWJZNOMH-HEHGZKQESA-N 2 0 370.461 0.427 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578457160 1275858357 /nfs/dbraw/zinc/85/83/57/1275858357.db2.gz DOYMXZNUCMVHQX-LSDHHAIUSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001578468461 1275880685 /nfs/dbraw/zinc/88/06/85/1275880685.db2.gz DHVKXQZYHJNCJY-XJKSGUPXSA-N 2 0 372.477 0.817 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001578525565 1275957772 /nfs/dbraw/zinc/95/77/72/1275957772.db2.gz HTJIUFNJUNNUEY-QFBILLFUSA-N 2 0 372.473 0.176 20 0 FCADRP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCSC1 ZINC001578525744 1275957943 /nfs/dbraw/zinc/95/79/43/1275957943.db2.gz OUGQGSHCIVYKSM-OEUWWYETSA-N 2 0 366.535 0.491 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCCC[C@]3(C[NH3+])C2)CC1 ZINC001578533299 1275963329 /nfs/dbraw/zinc/96/33/29/1275963329.db2.gz DUYDOMCVWCPUID-IRXDYDNUSA-N 2 0 358.552 0.405 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CCOC4)ccn2)CC1 ZINC001578536308 1275964323 /nfs/dbraw/zinc/96/43/23/1275964323.db2.gz KTIYVEDPZYEEAH-QFBILLFUSA-N 2 0 359.474 0.076 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC001578533636 1275964713 /nfs/dbraw/zinc/96/47/13/1275964713.db2.gz QKZLBBDSXGMHPG-GOSISDBHSA-N 2 0 357.502 0.980 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001578536574 1275965369 /nfs/dbraw/zinc/96/53/69/1275965369.db2.gz AKOFWPRJGLBAOS-SJORKVTESA-N 2 0 358.490 0.727 20 0 FCADRP C[NH2+]C[C@H]1CCCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578660834 1276110661 /nfs/dbraw/zinc/11/06/61/1276110661.db2.gz SGLVJNSPKCGKDZ-QAPCUYQASA-N 2 0 350.511 0.904 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+](C)C)C1 ZINC001578673382 1276125364 /nfs/dbraw/zinc/12/53/64/1276125364.db2.gz RFDLSRDRWCGKBN-CABCVRRESA-N 2 0 363.510 0.396 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@H]2CC23C[NH2+]C3)CCC[N@H+](Cc2ccccc2)C1 ZINC001578782005 1276264062 /nfs/dbraw/zinc/26/40/62/1276264062.db2.gz WKOYEYXJVUVSCJ-UZLBHIALSA-N 2 0 357.454 0.920 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)Cn2c(C[NH3+])nc3ccccc32)CC[N@H+](C)C1 ZINC001578797975 1276286247 /nfs/dbraw/zinc/28/62/47/1276286247.db2.gz VZBWWTLTYJGKMU-ZDUSSCGKSA-N 2 0 359.430 0.058 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC1 ZINC001578965445 1276509102 /nfs/dbraw/zinc/50/91/02/1276509102.db2.gz ULZQBZQJONMFTQ-OAHLLOKOSA-N 2 0 370.461 0.475 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C1(C[NH+](C)C)CC1 ZINC001578968083 1276511477 /nfs/dbraw/zinc/51/14/77/1276511477.db2.gz DJCDXFJFTHAWAP-UHFFFAOYSA-N 2 0 363.491 0.818 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578971305 1276516371 /nfs/dbraw/zinc/51/63/71/1276516371.db2.gz BUHIRFLMANVGTH-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578973377 1276519710 /nfs/dbraw/zinc/51/97/10/1276519710.db2.gz ZDPRQHYOOQGAIH-JOCQHMNTSA-N 2 0 370.461 0.332 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578973575 1276520591 /nfs/dbraw/zinc/52/05/91/1276520591.db2.gz UBKYUGRMFDFNMC-HNNXBMFYSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001578976252 1276527874 /nfs/dbraw/zinc/52/78/74/1276527874.db2.gz SOMOSRVVQGDINU-INIZCTEOSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578979233 1276539092 /nfs/dbraw/zinc/53/90/92/1276539092.db2.gz XWGQETHGBOQBDS-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578987886 1276560580 /nfs/dbraw/zinc/56/05/80/1276560580.db2.gz GOEQKOYXTKTGGV-TXEJJXNPSA-N 2 0 363.491 0.864 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578991802 1276565394 /nfs/dbraw/zinc/56/53/94/1276565394.db2.gz ZQVDTIAAEIBMAH-WKILWMFISA-N 2 0 357.462 0.945 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578991245 1276565954 /nfs/dbraw/zinc/56/59/54/1276565954.db2.gz RQEINBSRSRGAIS-WKILWMFISA-N 2 0 357.462 0.945 20 0 FCADRP C[N@H+](CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013908 1276588395 /nfs/dbraw/zinc/58/83/95/1276588395.db2.gz HZYMGZYPRVKUGS-UHFFFAOYSA-N 2 0 370.461 0.475 20 0 FCADRP COCC[N@H+](C)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOC[C@H]1C ZINC001579020445 1276598721 /nfs/dbraw/zinc/59/87/21/1276598721.db2.gz CFHMHGMCFBZJFP-HZPDHXFCSA-N 2 0 366.510 0.548 20 0 FCADRP COCCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001579021912 1276599832 /nfs/dbraw/zinc/59/98/32/1276599832.db2.gz HNWSCFWXJIYNJJ-HRCADAONSA-N 2 0 366.510 0.534 20 0 FCADRP COCC[N@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579027817 1276611151 /nfs/dbraw/zinc/61/11/51/1276611151.db2.gz QHJSQJKOFHTDGL-MPGHIAIKSA-N 2 0 364.494 0.288 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579027838 1276611737 /nfs/dbraw/zinc/61/17/37/1276611737.db2.gz QTOPQRYYJQUSDS-SJORKVTESA-N 2 0 356.511 0.883 20 0 FCADRP CON(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001579103706 1276764450 /nfs/dbraw/zinc/76/44/50/1276764450.db2.gz HJPXCNYBQPPYTF-IYBDPMFKSA-N 2 0 365.526 0.754 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579172378 1276926991 /nfs/dbraw/zinc/92/69/91/1276926991.db2.gz RBGNVPRJFKVLGZ-KRWDZBQOSA-N 2 0 369.473 0.757 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001579214548 1277009039 /nfs/dbraw/zinc/00/90/39/1277009039.db2.gz GTWGYNMKRPLOPS-KGLIPLIRSA-N 2 0 372.477 0.674 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001579214549 1277009677 /nfs/dbraw/zinc/00/96/77/1277009677.db2.gz GTWGYNMKRPLOPS-UONOGXRCSA-N 2 0 372.477 0.674 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323553 1277139046 /nfs/dbraw/zinc/13/90/46/1277139046.db2.gz VZVBELOADURVGA-KLAILNCOSA-N 2 0 369.473 0.897 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579326240 1277149825 /nfs/dbraw/zinc/14/98/25/1277149825.db2.gz IKRNJQWXCCTITR-SWLSCSKDSA-N 2 0 373.436 0.648 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331795 1277161452 /nfs/dbraw/zinc/16/14/52/1277161452.db2.gz FQWMVIYYTTVQIC-SJORKVTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331605 1277163203 /nfs/dbraw/zinc/16/32/03/1277163203.db2.gz CWTCIBFJKJBCMU-LSDHHAIUSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333842 1277169007 /nfs/dbraw/zinc/16/90/07/1277169007.db2.gz SKZQIEBZDRTHRS-HNAYVOBHSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334440 1277171051 /nfs/dbraw/zinc/17/10/51/1277171051.db2.gz FCIMPIQZVAAFDV-SFAKSCPVSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335058 1277172844 /nfs/dbraw/zinc/17/28/44/1277172844.db2.gz MTURHJRGKHSZGR-LSDHHAIUSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338863 1277180769 /nfs/dbraw/zinc/18/07/69/1277180769.db2.gz YYQHUNSAFKIQEK-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001579339330 1277183240 /nfs/dbraw/zinc/18/32/40/1277183240.db2.gz FNKRZRBUMNBCFV-ZDUSSCGKSA-N 2 0 358.450 0.498 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344923 1277196681 /nfs/dbraw/zinc/19/66/81/1277196681.db2.gz IMUVCEKQZKKKFI-KBPBESRZSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346199 1277198683 /nfs/dbraw/zinc/19/86/83/1277198683.db2.gz ZMBBYIJBABRQMR-RDJZCZTQSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346197 1277198898 /nfs/dbraw/zinc/19/88/98/1277198898.db2.gz ZMBBYIJBABRQMR-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579347342 1277201359 /nfs/dbraw/zinc/20/13/59/1277201359.db2.gz CMLKUXJYHJKOBE-HDJSIYSDSA-N 2 0 370.461 0.475 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355590 1277219744 /nfs/dbraw/zinc/21/97/44/1277219744.db2.gz FPCAXHAGICCLJV-PREGVCBESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356746 1277222609 /nfs/dbraw/zinc/22/26/09/1277222609.db2.gz MKLNFLGBDYPDBV-IAGOWNOFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579359093 1277230927 /nfs/dbraw/zinc/23/09/27/1277230927.db2.gz OGJSJRACOCEVHI-OAHLLOKOSA-N 2 0 355.446 0.699 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363125 1277240821 /nfs/dbraw/zinc/24/08/21/1277240821.db2.gz WEJFFNGFEXQNMM-DZKIICNBSA-N 2 0 373.436 0.837 20 0 FCADRP CSCCCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001579374463 1277255071 /nfs/dbraw/zinc/25/50/71/1277255071.db2.gz PIPHCZRZRPVCRZ-WMLDXEAASA-N 2 0 368.551 0.959 20 0 FCADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529931 1277492858 /nfs/dbraw/zinc/49/28/58/1277492858.db2.gz ONKPYTHZGWGWJF-OXJNMPFZSA-N 2 0 355.486 0.975 20 0 FCADRP Cc1nc(CN2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cs1 ZINC001579858128 1277939069 /nfs/dbraw/zinc/93/90/69/1277939069.db2.gz SPQGHMKRHUWUMM-OAHLLOKOSA-N 2 0 351.520 0.766 20 0 FCADRP Cc1nnc(N2CC[NH2+][C@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001579910971 1277959020 /nfs/dbraw/zinc/95/90/20/1277959020.db2.gz YGPIQSUJJVSNSA-ZBFHGGJFSA-N 2 0 363.510 0.327 20 0 FCADRP Cn1cc(-c2nnc(N3CCO[C@@H](C[NH3+])C3)n2CCC[NH+]2CCCC2)cn1 ZINC001579951181 1277976020 /nfs/dbraw/zinc/97/60/20/1277976020.db2.gz KBCQFQLTESIVIC-INIZCTEOSA-N 2 0 374.493 0.328 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC001580008065 1277988855 /nfs/dbraw/zinc/98/88/55/1277988855.db2.gz CDGRJSFZNUUUKQ-CQSZACIVSA-N 2 0 373.461 0.518 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC001580027557 1277994801 /nfs/dbraw/zinc/99/48/01/1277994801.db2.gz DNSNVYPBOARALL-WFASDCNBSA-N 2 0 373.461 0.564 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001580088994 1278003970 /nfs/dbraw/zinc/00/39/70/1278003970.db2.gz GHVAMNBVQIXPGV-CRAIPNDOSA-N 2 0 351.495 0.359 20 0 FCADRP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001580089012 1278003990 /nfs/dbraw/zinc/00/39/90/1278003990.db2.gz GWZPXMVMWZUANA-KRWDZBQOSA-N 2 0 359.474 0.627 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001580088997 1278004099 /nfs/dbraw/zinc/00/40/99/1278004099.db2.gz GHVAMNBVQIXPGV-YJBOKZPZSA-N 2 0 351.495 0.359 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC001580222545 1278046227 /nfs/dbraw/zinc/04/62/27/1278046227.db2.gz XBVSWOPULKVCAU-JKSUJKDBSA-N 2 0 353.511 0.781 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580270599 1278064537 /nfs/dbraw/zinc/06/45/37/1278064537.db2.gz UBJMBUKJCYRILP-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580272602 1278065328 /nfs/dbraw/zinc/06/53/28/1278065328.db2.gz GBSAOWDAZFYUJI-DZGCQCFKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001580272644 1278065660 /nfs/dbraw/zinc/06/56/60/1278065660.db2.gz HYBMEGANNIJIFJ-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP [NH3+]C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCCCC2)CCO1 ZINC001580274993 1278070644 /nfs/dbraw/zinc/07/06/44/1278070644.db2.gz CQDMULVRRPDGIV-OAHLLOKOSA-N 2 0 359.478 0.923 20 0 FCADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001580867564 1279070519 /nfs/dbraw/zinc/07/05/19/1279070519.db2.gz KHYNAEOKEBECBN-SJORKVTESA-N 2 0 359.536 0.817 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001603200517 1287327958 /nfs/dbraw/zinc/32/79/58/1287327958.db2.gz DCVPIFGBPSQRTQ-SWLSCSKDSA-N 2 0 360.466 0.789 20 0 FCADRP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940499 1279148135 /nfs/dbraw/zinc/14/81/35/1279148135.db2.gz AHROAFKTUCUXMG-CYBMUJFWSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(CCNC(=O)CCC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949977 1279156627 /nfs/dbraw/zinc/15/66/27/1279156627.db2.gz WYUFUILGBMMFOU-UHFFFAOYSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N[C@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988010 1279186915 /nfs/dbraw/zinc/18/69/15/1279186915.db2.gz OVDSSTDOPPRIQG-KGLIPLIRSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990025 1279192267 /nfs/dbraw/zinc/19/22/67/1279192267.db2.gz PAVDPEMMOIZELC-STQMWFEESA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991216 1279193803 /nfs/dbraw/zinc/19/38/03/1279193803.db2.gz MQNWWDUNUAYTIO-GFCCVEGCSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991296 1279194956 /nfs/dbraw/zinc/19/49/56/1279194956.db2.gz YGYPFOORUJEXBA-CHWSQXEVSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993866 1279199134 /nfs/dbraw/zinc/19/91/34/1279199134.db2.gz IWEJXRMEBFEAGC-LBPRGKRZSA-N 2 0 356.434 0.004 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993598 1279199279 /nfs/dbraw/zinc/19/92/79/1279199279.db2.gz JYFDGJMWZVIDQA-OAHLLOKOSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994880 1279203561 /nfs/dbraw/zinc/20/35/61/1279203561.db2.gz SAQBIKZZCGVWDR-LBPRGKRZSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994993 1279204631 /nfs/dbraw/zinc/20/46/31/1279204631.db2.gz VFQDDMYGEIQGSK-CZUORRHYSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995428 1279205531 /nfs/dbraw/zinc/20/55/31/1279205531.db2.gz HIOAAPAXALDVRI-SWLSCSKDSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581001618 1279217159 /nfs/dbraw/zinc/21/71/59/1279217159.db2.gz ILSYCCILNCSFHY-UONOGXRCSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006305 1279225269 /nfs/dbraw/zinc/22/52/69/1279225269.db2.gz OPQSQHNPNUFTMX-ZDUSSCGKSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005804 1279225406 /nfs/dbraw/zinc/22/54/06/1279225406.db2.gz DKANLFLALOCYBQ-ZFWWWQNUSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006307 1279225435 /nfs/dbraw/zinc/22/54/35/1279225435.db2.gz OPVWKVNKIMJKGN-HIFRSBDPSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009557 1279234800 /nfs/dbraw/zinc/23/48/00/1279234800.db2.gz YDMVYMABUCMZQH-IAQYHMDHSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010259 1279236647 /nfs/dbraw/zinc/23/66/47/1279236647.db2.gz IDONKCYAOKOHJG-GFCCVEGCSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010181 1279236864 /nfs/dbraw/zinc/23/68/64/1279236864.db2.gz GPTVLGCDGNMQEW-OCCSQVGLSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@@H](CC(C)C)NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011134 1279237746 /nfs/dbraw/zinc/23/77/46/1279237746.db2.gz DAJPRMFUVCQPAH-CQSZACIVSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(NC[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013755 1279240334 /nfs/dbraw/zinc/24/03/34/1279240334.db2.gz VQDJITKMXJJCNK-ZDUSSCGKSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026503 1279259653 /nfs/dbraw/zinc/25/96/53/1279259653.db2.gz LVXHFGYIMBDLNL-CHWSQXEVSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038672 1279274505 /nfs/dbraw/zinc/27/45/05/1279274505.db2.gz VBRAOHNUANJUMO-YIYPIFLZSA-N 2 0 370.461 0.391 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039145 1279276193 /nfs/dbraw/zinc/27/61/93/1279276193.db2.gz LOTYZULSSUOZST-LALPHHSUSA-N 2 0 356.434 0.145 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039419 1279277689 /nfs/dbraw/zinc/27/76/89/1279277689.db2.gz YJZHFJWLJZMMJB-JHJVBQTASA-N 2 0 356.434 0.003 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001716682348 1287386073 /nfs/dbraw/zinc/38/60/73/1287386073.db2.gz NIPYFQKJNSERNJ-QLFBSQMISA-N 2 0 357.520 0.390 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582097731 1281052369 /nfs/dbraw/zinc/05/23/69/1281052369.db2.gz LRAIGJJFUJICHX-CYBMUJFWSA-N 2 0 356.434 0.040 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582098292 1281053249 /nfs/dbraw/zinc/05/32/49/1281053249.db2.gz IOOKNXRGOPJCJI-MRXNPFEDSA-N 2 0 369.473 0.901 20 0 FCADRP O=C(N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582210476 1281191319 /nfs/dbraw/zinc/19/13/19/1281191319.db2.gz CSONKJCPJKVLNS-INIZCTEOSA-N 2 0 367.457 0.653 20 0 FCADRP O=C(N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C12CC[NH+](CC1)C2 ZINC001582224626 1281205467 /nfs/dbraw/zinc/20/54/67/1281205467.db2.gz MMDHBCLBBILMJC-OAHLLOKOSA-N 2 0 368.445 0.086 20 0 FCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001603839535 1287512358 /nfs/dbraw/zinc/51/23/58/1287512358.db2.gz ZIHIISRGRVTOBT-OCCSQVGLSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001604198582 1287586785 /nfs/dbraw/zinc/58/67/85/1287586785.db2.gz ONHLLQAZRVYWOY-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP CC(C)(Cc1ccc(-c2nn[nH]n2)cc1)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001589307297 1282834879 /nfs/dbraw/zinc/83/48/79/1282834879.db2.gz QKAFMGSFQHUVEY-OAHLLOKOSA-N 2 0 371.489 0.975 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]CCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001589338800 1282842934 /nfs/dbraw/zinc/84/29/34/1282842934.db2.gz DYSHIUDZPAHGQP-UHFFFAOYSA-N 2 0 360.466 0.499 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716277 1282960764 /nfs/dbraw/zinc/96/07/64/1282960764.db2.gz GACKIRYTDXIHAY-QGZUEGPWSA-N 2 0 370.461 0.641 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000738 1282987104 /nfs/dbraw/zinc/98/71/04/1282987104.db2.gz RBGVQOQHPDRXPC-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589815892 1283050744 /nfs/dbraw/zinc/05/07/44/1283050744.db2.gz VWJKSDGKYKUBGA-ZDUSSCGKSA-N 2 0 370.461 0.476 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589913140 1283121182 /nfs/dbraw/zinc/12/11/82/1283121182.db2.gz NCDUACBTJXTSPZ-ZDUSSCGKSA-N 2 0 372.477 0.820 20 0 FCADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C[NH+]2C[C@@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213062 1283345806 /nfs/dbraw/zinc/34/58/06/1283345806.db2.gz ARAWZHXRUAOOII-GGNLRSJOSA-N 2 0 372.473 0.777 20 0 FCADRP CC[C@H](C(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590367542 1283504588 /nfs/dbraw/zinc/50/45/88/1283504588.db2.gz CHUCJUBPHCROLH-OAHLLOKOSA-N 2 0 360.466 0.593 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001590862510 1283933377 /nfs/dbraw/zinc/93/33/77/1283933377.db2.gz IBZPFXQRTQSUFS-SWLSCSKDSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001590866276 1283937285 /nfs/dbraw/zinc/93/72/85/1283937285.db2.gz WFFXKTXRMSVRRO-OAHLLOKOSA-N 2 0 363.441 0.894 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001591021689 1284078283 /nfs/dbraw/zinc/07/82/83/1284078283.db2.gz XBNRTHMUCJOVTC-VXGBXAGGSA-N 2 0 363.491 0.740 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(-c3nn[nH]n3)c2)C[C@H]1C[NH+](C)C ZINC001591021756 1284080069 /nfs/dbraw/zinc/08/00/69/1284080069.db2.gz YYDPDYIVBHNWPQ-ZIAGYGMSSA-N 2 0 358.450 0.073 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071538 1284134745 /nfs/dbraw/zinc/13/47/45/1284134745.db2.gz YYGJSVHAACIJBG-CYBMUJFWSA-N 2 0 363.491 0.961 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591075086 1284139180 /nfs/dbraw/zinc/13/91/80/1284139180.db2.gz XWQPGFBKRAEGDU-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174707 1284262010 /nfs/dbraw/zinc/26/20/10/1284262010.db2.gz AFEYSIVBFQDMPI-ZIAGYGMSSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001591186611 1284297934 /nfs/dbraw/zinc/29/79/34/1284297934.db2.gz VPFRXFMDBUYEGL-DVOMOZLQSA-N 2 0 373.436 0.837 20 0 FCADRP C[NH+](C)C1(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001604673750 1287723231 /nfs/dbraw/zinc/72/32/31/1287723231.db2.gz RKWIYKZXYLQHII-UHFFFAOYSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604683803 1287730323 /nfs/dbraw/zinc/73/03/23/1287730323.db2.gz MQOOJNJGUFGPKC-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)[NH+](CC)CC ZINC001719107614 1287753285 /nfs/dbraw/zinc/75/32/85/1287753285.db2.gz VJMVRBLNOVBCAQ-BRWVUGGUSA-N 2 0 368.522 0.279 20 0 FCADRP Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007893 1285055831 /nfs/dbraw/zinc/05/58/31/1285055831.db2.gz SNDVLXWCJKVTLI-ZDUSSCGKSA-N 2 0 356.434 0.361 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592038679 1285081253 /nfs/dbraw/zinc/08/12/53/1285081253.db2.gz PLPXWFXOKQEBRC-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001719120225 1287779210 /nfs/dbraw/zinc/77/92/10/1287779210.db2.gz PGUQDZWYEVOXDW-IAGOWNOFSA-N 2 0 368.522 0.282 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC001609267983 1289032509 /nfs/dbraw/zinc/03/25/09/1289032509.db2.gz BURVTZUFDZAFDV-INIZCTEOSA-N 2 0 372.477 0.677 20 0 FCADRP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001593075802 1285971484 /nfs/dbraw/zinc/97/14/84/1285971484.db2.gz DRFHAMQFXXUBMA-CZUORRHYSA-N 2 0 370.461 0.619 20 0 FCADRP O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001593086718 1285986744 /nfs/dbraw/zinc/98/67/44/1285986744.db2.gz YPXRHBKTAGPZIG-INIZCTEOSA-N 2 0 355.446 0.414 20 0 FCADRP O[C@H](C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C[NH+]1CCCC1 ZINC001593503779 1286183295 /nfs/dbraw/zinc/18/32/95/1286183295.db2.gz AOYAPHQNYOGYFD-MRXNPFEDSA-N 2 0 372.477 0.277 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001593507935 1286186770 /nfs/dbraw/zinc/18/67/70/1286186770.db2.gz LYMWYLMGMGEWNR-ZOBUZTSGSA-N 2 0 358.446 0.680 20 0 FCADRP OC[C@H]1CCC[NH+]1Cc1cc(C[N@H+]2CCC[C@@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529620 1286192981 /nfs/dbraw/zinc/19/29/81/1286192981.db2.gz WCQKRICBMQAUTF-QZTJIDSGSA-N 2 0 372.473 0.780 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001707225280 1287074586 /nfs/dbraw/zinc/07/45/86/1287074586.db2.gz XRNQLNDGCRVYDY-CVEARBPZSA-N 2 0 359.536 0.543 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001736042701 1289128751 /nfs/dbraw/zinc/12/87/51/1289128751.db2.gz RKFVAZDZIUIVCF-OWCLPIDISA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001710275884 1287169377 /nfs/dbraw/zinc/16/93/77/1287169377.db2.gz VXSAEYHNJKTYHH-HNNXBMFYSA-N 2 0 350.511 0.964 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854941 1287799781 /nfs/dbraw/zinc/79/97/81/1287799781.db2.gz VELBBPHEGGTGOS-IBUXWKBASA-N 2 0 356.434 0.110 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854944 1287800356 /nfs/dbraw/zinc/80/03/56/1287800356.db2.gz VELBBPHEGGTGOS-YWVDXFKGSA-N 2 0 356.434 0.110 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604861583 1287802307 /nfs/dbraw/zinc/80/23/07/1287802307.db2.gz ABBULLGAXUDJGA-KRWDZBQOSA-N 2 0 359.478 0.517 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001719234444 1287917249 /nfs/dbraw/zinc/91/72/49/1287917249.db2.gz OYJVJNGIFFEAIO-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001719247627 1287944173 /nfs/dbraw/zinc/94/41/73/1287944173.db2.gz ZWZPIRNIMABLCP-HZPDHXFCSA-N 2 0 354.495 0.012 20 0 FCADRP Cc1nn(C)c(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1-c1nn[nH]n1 ZINC001606110046 1288168507 /nfs/dbraw/zinc/16/85/07/1288168507.db2.gz IWKNEOJIMWZVAN-UHFFFAOYSA-N 2 0 359.482 0.372 20 0 FCADRP O=C(C[NH2+]C1CC1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001606552760 1288382038 /nfs/dbraw/zinc/38/20/38/1288382038.db2.gz YFSDYXWGUVANIZ-UHFFFAOYSA-N 2 0 355.446 0.699 20 0 FCADRP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001606780931 1288511580 /nfs/dbraw/zinc/51/15/80/1288511580.db2.gz RCWNTSOVBOPGDB-WFASDCNBSA-N 2 0 356.434 0.229 20 0 FCADRP CCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001727529433 1288515199 /nfs/dbraw/zinc/51/51/99/1288515199.db2.gz LERDRXHLTLUGDN-HDMKZQKVSA-N 2 0 350.511 0.826 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691913511 1289341027 /nfs/dbraw/zinc/34/10/27/1289341027.db2.gz QAYDYCKGHYKENA-HZSPNIEDSA-N 2 0 355.483 0.047 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CCO ZINC001692031506 1289371418 /nfs/dbraw/zinc/37/14/18/1289371418.db2.gz FZWBTVZMMPFEEJ-KBAYOESNSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC ZINC001692052841 1289376776 /nfs/dbraw/zinc/37/67/76/1289376776.db2.gz MKBHOTRENDCGLZ-JFIYKMOQSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]CC=CCl)cc(=O)[nH]2)CC[N@@H+]1C ZINC001692130936 1289402092 /nfs/dbraw/zinc/40/20/92/1289402092.db2.gz VSXUXKYLPBPTRD-KJGKVODESA-N 2 0 353.854 0.981 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692265327 1289439628 /nfs/dbraw/zinc/43/96/28/1289439628.db2.gz WFYNPFDLLKJXCI-VYDXJSESSA-N 2 0 368.497 0.725 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)CC[N@@H+]1C ZINC001737390584 1289540135 /nfs/dbraw/zinc/54/01/35/1289540135.db2.gz BECAOCHSQKPDGS-FVQBIDKESA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699387208 1289552122 /nfs/dbraw/zinc/55/21/22/1289552122.db2.gz NRRPAFHGGANZKM-NXHRZFHOSA-N 2 0 356.474 0.718 20 0 FCADRP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001614032854 1289734306 /nfs/dbraw/zinc/73/43/06/1289734306.db2.gz RLCGRYADLIEGPZ-SFHVURJKSA-N 2 0 350.511 0.685 20 0 FCADRP COCC[N@H+](C)CCn1c(C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001619876813 1289965583 /nfs/dbraw/zinc/96/55/83/1289965583.db2.gz LEPMCASSPIQNRP-UHFFFAOYSA-N 2 0 366.510 0.466 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001702323669 1290046073 /nfs/dbraw/zinc/04/60/73/1290046073.db2.gz IMQLPUCSIUUHPS-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1)CC(C)(C)C ZINC001739668211 1290335185 /nfs/dbraw/zinc/33/51/85/1290335185.db2.gz LSVSWDXTTJGVGS-PMPSAXMXSA-N 2 0 368.522 0.137 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1 ZINC001649432685 1291149153 /nfs/dbraw/zinc/14/91/53/1291149153.db2.gz RIYXRRLHWRRUQP-UKRRQHHQSA-N 2 0 364.494 0.445 20 0 FCADRP CC[NH+]1CCC(N2CCCN([C@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931301 1291380895 /nfs/dbraw/zinc/38/08/95/1291380895.db2.gz LZLRFCIUIKDCGR-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001685620101 1292575160 /nfs/dbraw/zinc/57/51/60/1292575160.db2.gz USZYFSXVYVNSKF-KZNAEPCWSA-N 2 0 368.522 0.510 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)on1 ZINC001688791288 1294531693 /nfs/dbraw/zinc/53/16/93/1294531693.db2.gz ZKZMIEFQIVEHGE-BPLDGKMQSA-N 2 0 363.462 0.700 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001688979788 1294557915 /nfs/dbraw/zinc/55/79/15/1294557915.db2.gz IZOHZMDYMPVNFR-CGTJXYLNSA-N 2 0 364.534 0.975 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001689238559 1294698075 /nfs/dbraw/zinc/69/80/75/1294698075.db2.gz BZSGTKRTMKFQTR-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001690337903 1294864823 /nfs/dbraw/zinc/86/48/23/1294864823.db2.gz DOCIUNDEXADXFM-OBPIAQAESA-N 2 0 364.412 0.630 20 0 FCADRP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001690657644 1294879026 /nfs/dbraw/zinc/87/90/26/1294879026.db2.gz SAJDJJRFRIFGIX-BZUAXINKSA-N 2 0 359.474 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001691785888 1294922496 /nfs/dbraw/zinc/92/24/96/1294922496.db2.gz HLXXBXLIFBJBHA-YHUYYLMFSA-N 2 0 359.536 0.636 20 0 FCADRP C[NH+](C)Cc1ccnc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c1 ZINC001164654023 719327303 /nfs/dbraw/zinc/32/73/03/719327303.db2.gz JIKCUXFEYCCABS-UHFFFAOYSA-N 2 0 365.459 0.743 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001164726643 720519818 /nfs/dbraw/zinc/51/98/18/720519818.db2.gz CIWYUPDLSWVBCV-HNNXBMFYSA-N 2 0 370.505 0.799 20 0 FCADRP Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164743437 720807200 /nfs/dbraw/zinc/80/72/00/720807200.db2.gz FZDKHBLXXABCSY-HZPDHXFCSA-N 2 0 367.457 0.604 20 0 FCADRP [NH3+]Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740759 720821390 /nfs/dbraw/zinc/82/13/90/720821390.db2.gz LFFARPWMSNMCMM-CGTJXYLNSA-N 2 0 368.489 0.906 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@@H]3C2)cn1 ZINC001164767978 721249147 /nfs/dbraw/zinc/24/91/47/721249147.db2.gz XIROHAVXLXSWKK-RDJZCZTQSA-N 2 0 353.474 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001067536407 837465627 /nfs/dbraw/zinc/46/56/27/837465627.db2.gz XEUDFAKMCGQLSW-NVXWUHKLSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001067536335 837465874 /nfs/dbraw/zinc/46/58/74/837465874.db2.gz SXIPRGIZYAIGSW-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC001070133660 837622661 /nfs/dbraw/zinc/62/26/61/837622661.db2.gz JSHXNCFZSYBIOE-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070289398 837643573 /nfs/dbraw/zinc/64/35/73/837643573.db2.gz ABEZXEPHRXXXSM-PMPSAXMXSA-N 2 0 352.458 0.852 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001070378156 837650835 /nfs/dbraw/zinc/65/08/35/837650835.db2.gz BJBIQOMDFROELJ-OGWOLHLISA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001074658914 837820811 /nfs/dbraw/zinc/82/08/11/837820811.db2.gz KOHNROSHIWQROL-LUKYLMHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001099341477 844034299 /nfs/dbraw/zinc/03/42/99/844034299.db2.gz FLYHXFWCVDAONG-JHJVBQTASA-N 2 0 360.384 0.209 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101231154 844112539 /nfs/dbraw/zinc/11/25/39/844112539.db2.gz UAUWJRRVHZXQID-AOIWGVFYSA-N 2 0 353.507 0.648 20 0 FCADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101240660 844116510 /nfs/dbraw/zinc/11/65/10/844116510.db2.gz DEFRVTKRSSOMLD-AOIWGVFYSA-N 2 0 351.491 0.117 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268846 844126269 /nfs/dbraw/zinc/12/62/69/844126269.db2.gz ZQXZCVXDFPIXRR-APWZRJJASA-N 2 0 353.507 0.914 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828929 836154301 /nfs/dbraw/zinc/15/43/01/836154301.db2.gz BESOHWMLTAYMPO-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320453 844146397 /nfs/dbraw/zinc/14/63/97/844146397.db2.gz NLENSMDRFLZECI-GJYPPUQNSA-N 2 0 353.507 0.648 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320455 844146469 /nfs/dbraw/zinc/14/64/69/844146469.db2.gz NLENSMDRFLZECI-MDZRGWNJSA-N 2 0 353.507 0.648 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@]2(C)C1 ZINC001101351830 844154393 /nfs/dbraw/zinc/15/43/93/844154393.db2.gz NRGJAHXUMGTGRU-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353084 844156529 /nfs/dbraw/zinc/15/65/29/844156529.db2.gz SWXCQRJQYNCCQP-AOIWGVFYSA-N 2 0 355.523 0.752 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353274 844156585 /nfs/dbraw/zinc/15/65/85/844156585.db2.gz ZGLXNAVSOKLDNI-FCEWJHQRSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363374 844160596 /nfs/dbraw/zinc/16/05/96/844160596.db2.gz UNDWZDXCZNGXJX-MDZRGWNJSA-N 2 0 350.507 0.776 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363986 844160640 /nfs/dbraw/zinc/16/06/40/844160640.db2.gz JDGWQPWZDYUIQY-SCTDSRPQSA-N 2 0 353.507 0.772 20 0 FCADRP COCC[N@@H+]1C[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369679 844163401 /nfs/dbraw/zinc/16/34/01/844163401.db2.gz HNSNUIKMTYDQBL-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101365669 844161401 /nfs/dbraw/zinc/16/14/01/844161401.db2.gz CZZHXZSRRCYOAX-GJYPPUQNSA-N 2 0 352.523 0.879 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365799 844162199 /nfs/dbraw/zinc/16/21/99/844162199.db2.gz JWMVSHZGKUTZBK-MDZRGWNJSA-N 2 0 353.507 0.506 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101397762 844173716 /nfs/dbraw/zinc/17/37/16/844173716.db2.gz GOZNDAHRVGLFDH-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101417385 844179104 /nfs/dbraw/zinc/17/91/04/844179104.db2.gz MIRQBSGSLGPNRB-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418118 844179975 /nfs/dbraw/zinc/17/99/75/844179975.db2.gz AGOKAGVUJVWBBT-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC001101432215 844184262 /nfs/dbraw/zinc/18/42/62/844184262.db2.gz HYAZVYLIOQPKCK-LMMKCTJWSA-N 2 0 353.507 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001059732000 836641449 /nfs/dbraw/zinc/64/14/49/836641449.db2.gz HQPIWCOCMLGSPF-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101461902 844193242 /nfs/dbraw/zinc/19/32/42/844193242.db2.gz YOSHWKKKCGNRDH-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443273 844186678 /nfs/dbraw/zinc/18/66/78/844186678.db2.gz CAJHWXWISVZAQX-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101461903 844193675 /nfs/dbraw/zinc/19/36/75/844193675.db2.gz YOSHWKKKCGNRDH-NUJGCVRESA-N 2 0 371.547 0.543 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474228 844199249 /nfs/dbraw/zinc/19/92/49/844199249.db2.gz OAUSCWLVQORIMA-AOIWGVFYSA-N 2 0 353.507 0.650 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065205270 836819930 /nfs/dbraw/zinc/81/99/30/836819930.db2.gz BHNVWYABWGSSOP-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065257238 836825674 /nfs/dbraw/zinc/82/56/74/836825674.db2.gz ROTGMNIKKMXKTF-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323764 837983401 /nfs/dbraw/zinc/98/34/01/837983401.db2.gz GJWNSUHJCBPMCN-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605783 838027802 /nfs/dbraw/zinc/02/78/02/838027802.db2.gz SRFGUIMDGAPJQL-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975862 844357303 /nfs/dbraw/zinc/35/73/03/844357303.db2.gz DEPWMUJVWYCGOK-OIISXLGYSA-N 2 0 350.507 0.491 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982834 844361710 /nfs/dbraw/zinc/36/17/10/844361710.db2.gz LRCYICSXKOSRMY-WCXIOVBPSA-N 2 0 373.563 0.836 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077129129 838754603 /nfs/dbraw/zinc/75/46/03/838754603.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 2 0 351.491 0.591 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505012 839001917 /nfs/dbraw/zinc/00/19/17/839001917.db2.gz JWFSUYQZRSCDBD-GVDBMIGSSA-N 2 0 353.507 0.981 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047269 844393928 /nfs/dbraw/zinc/39/39/28/844393928.db2.gz ANZPWFUBQGHANW-QBIMZIAESA-N 2 0 350.507 0.537 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047710 844394469 /nfs/dbraw/zinc/39/44/69/844394469.db2.gz QWRKLCCJMIDGGK-KYJSFNMBSA-N 2 0 352.523 0.878 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102048905 844396653 /nfs/dbraw/zinc/39/66/53/844396653.db2.gz UDLBBZXKAFVUQD-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC[C@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685347 839112071 /nfs/dbraw/zinc/11/20/71/839112071.db2.gz LVTHHCDBTGIVNO-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001102086173 844408916 /nfs/dbraw/zinc/40/89/16/844408916.db2.gz SCVHJPMUAIMOEC-DJIMGWMZSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001077924144 839233183 /nfs/dbraw/zinc/23/31/83/839233183.db2.gz VNGYLSIVHKGUQK-QZTJIDSGSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102122686 844424142 /nfs/dbraw/zinc/42/41/42/844424142.db2.gz HAMCKINKGVNYLX-HZPDHXFCSA-N 2 0 371.547 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC001078404056 839458280 /nfs/dbraw/zinc/45/82/80/839458280.db2.gz QGFUKYGMIRDZRM-CWRNSKLLSA-N 2 0 367.519 0.976 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273787 839502874 /nfs/dbraw/zinc/50/28/74/839502874.db2.gz QIFGVYSBVONPJC-IXDOHACOSA-N 2 0 351.491 0.524 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215520 844447204 /nfs/dbraw/zinc/44/72/04/844447204.db2.gz RQHJHVJLVPIHFZ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079952219 839630111 /nfs/dbraw/zinc/63/01/11/839630111.db2.gz YVLWGBSKCQSBJU-OIISXLGYSA-N 2 0 352.523 0.972 20 0 FCADRP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290831 844459675 /nfs/dbraw/zinc/45/96/75/844459675.db2.gz WNMGZNDIGWBLSY-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290703 844459711 /nfs/dbraw/zinc/45/97/11/844459711.db2.gz RNSGUGCQDNYRSB-HZPDHXFCSA-N 2 0 352.523 0.785 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312814 844465246 /nfs/dbraw/zinc/46/52/46/844465246.db2.gz PBSMTIFOZLKFOO-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319062 844465797 /nfs/dbraw/zinc/46/57/97/844465797.db2.gz XEQQUBZBGKTGKT-HUUCEWRRSA-N 2 0 350.463 0.532 20 0 FCADRP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320841 844466504 /nfs/dbraw/zinc/46/65/04/844466504.db2.gz VWUVWYHVQNKROX-HZPDHXFCSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558814 839746434 /nfs/dbraw/zinc/74/64/34/839746434.db2.gz FVMRFFWYTJJCLO-GDBMZVCRSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102368220 844476236 /nfs/dbraw/zinc/47/62/36/844476236.db2.gz LLPWBTQPCIATKL-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375356 844479344 /nfs/dbraw/zinc/47/93/44/844479344.db2.gz DQZABNSRYCXBCK-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CCC1 ZINC001082096056 840183349 /nfs/dbraw/zinc/18/33/49/840183349.db2.gz WRNIIQSOUXPJRA-FGTMMUONSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138137 840207244 /nfs/dbraw/zinc/20/72/44/840207244.db2.gz PXIQBSRYIUBGEL-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102475277 844516571 /nfs/dbraw/zinc/51/65/71/844516571.db2.gz GZPWRJDXMOCKPT-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222125 840247281 /nfs/dbraw/zinc/24/72/81/840247281.db2.gz HKHYPOIBJHEGGI-DJIMGWMZSA-N 2 0 351.495 0.920 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082329043 840314396 /nfs/dbraw/zinc/31/43/96/840314396.db2.gz YEYLMUXQTWBAPW-HUUCEWRRSA-N 2 0 364.515 0.905 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082544824 840457238 /nfs/dbraw/zinc/45/72/38/840457238.db2.gz UEFCTWRBVUZYHF-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082558372 840464657 /nfs/dbraw/zinc/46/46/57/840464657.db2.gz MXHIZNXUQWROET-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082570610 840470192 /nfs/dbraw/zinc/47/01/92/840470192.db2.gz SLMWFMNLDFFAJL-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[NH+](C)C ZINC001082589371 840477263 /nfs/dbraw/zinc/47/72/63/840477263.db2.gz YJXMQZPATOIHEA-FVQBIDKESA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513497 844545227 /nfs/dbraw/zinc/54/52/27/844545227.db2.gz MZHAMIDKJYISBU-MGPQQGTHSA-N 2 0 369.428 0.562 20 0 FCADRP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)CS(C)(=O)=O ZINC001102514480 844546195 /nfs/dbraw/zinc/54/61/95/844546195.db2.gz YQYDWTCSZWKXPU-ARFHVFGLSA-N 2 0 371.547 0.447 20 0 FCADRP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514211 844546467 /nfs/dbraw/zinc/54/64/67/844546467.db2.gz QMRSOEAAEDVKJR-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514405 844546556 /nfs/dbraw/zinc/54/65/56/844546556.db2.gz WGSOBUFZUHPQBV-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082719950 840535337 /nfs/dbraw/zinc/53/53/37/840535337.db2.gz YRHXNTPGGXOEMH-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102525891 844553454 /nfs/dbraw/zinc/55/34/54/844553454.db2.gz ZWQHZVUTDYYHLR-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520711 844550364 /nfs/dbraw/zinc/55/03/64/844550364.db2.gz VVLACMGAANDQOL-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+]1CCCCCC1 ZINC001082782610 840557748 /nfs/dbraw/zinc/55/77/48/840557748.db2.gz HUWBAJYTLFXIGW-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082783859 840559195 /nfs/dbraw/zinc/55/91/95/840559195.db2.gz UOYMLQVIXFZKRA-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082859999 840586354 /nfs/dbraw/zinc/58/63/54/840586354.db2.gz TWUVUUGQBMJLTE-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082921828 840603403 /nfs/dbraw/zinc/60/34/03/840603403.db2.gz MPMNQFRUVCJUAL-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082943723 840616828 /nfs/dbraw/zinc/61/68/28/840616828.db2.gz YRVWPERDQLBWIS-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082941865 840617078 /nfs/dbraw/zinc/61/70/78/840617078.db2.gz QPQQQYVFYFCTRA-RBSFLKMASA-N 2 0 350.463 0.104 20 0 FCADRP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)C1CC1 ZINC001102579162 844573375 /nfs/dbraw/zinc/57/33/75/844573375.db2.gz KXNAIDDSIOQGAH-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579739 844574656 /nfs/dbraw/zinc/57/46/56/844574656.db2.gz MWFUWRYDSJHBBA-OWCLPIDISA-N 2 0 357.520 0.201 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579763 844575136 /nfs/dbraw/zinc/57/51/36/844575136.db2.gz OJPVEJGLKQWTKK-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600062 844590315 /nfs/dbraw/zinc/59/03/15/844590315.db2.gz JYQHHESXAGLMNJ-NUJGCVRESA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102601008 844592456 /nfs/dbraw/zinc/59/24/56/844592456.db2.gz GUCODYJVVUQOCC-BFYDXBDKSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600543 844592832 /nfs/dbraw/zinc/59/28/32/844592832.db2.gz JRFPFYOPNCMGLB-BZUAXINKSA-N 2 0 359.536 0.445 20 0 FCADRP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469696 841041293 /nfs/dbraw/zinc/04/12/93/841041293.db2.gz DREOHEDROGSSNA-BDXSIMOUSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523077 841120679 /nfs/dbraw/zinc/12/06/79/841120679.db2.gz LPRSHUCSGDEEBE-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083524679 841124697 /nfs/dbraw/zinc/12/46/97/841124697.db2.gz GERGEYNECADAIB-KSZLIROESA-N 2 0 353.507 0.837 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCC1 ZINC001083602069 841220959 /nfs/dbraw/zinc/22/09/59/841220959.db2.gz CKYGDVVUXKYOBO-IXDOHACOSA-N 2 0 351.491 0.591 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727068 841368096 /nfs/dbraw/zinc/36/80/96/841368096.db2.gz JMQBMCKGYSFQCF-HNKHHVNMSA-N 2 0 366.531 0.886 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783040 841433720 /nfs/dbraw/zinc/43/37/20/841433720.db2.gz XRUAKSRHUHXNDQ-BBWFWOEESA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833470 861219300 /nfs/dbraw/zinc/21/93/00/861219300.db2.gz IMZUSWPMEDKVRZ-LJQANCHMSA-N 3 0 352.523 0.583 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054181 841668923 /nfs/dbraw/zinc/66/89/23/841668923.db2.gz ZNUHAMAKRLWKSK-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877801 861241041 /nfs/dbraw/zinc/24/10/41/861241041.db2.gz GEMDJTVFZLFJKE-BEFAXECRSA-N 2 0 351.491 0.999 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877625 861241103 /nfs/dbraw/zinc/24/11/03/861241103.db2.gz CKURMUMVEHWVRJ-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878084 861241465 /nfs/dbraw/zinc/24/14/65/861241465.db2.gz GYTNUUJTSCEQSU-LPHOPBHVSA-N 2 0 350.507 0.907 20 0 FCADRP COC(CN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881235 861246483 /nfs/dbraw/zinc/24/64/83/861246483.db2.gz YIUZQTQWIJMQJO-MAUKXSAKSA-N 2 0 355.479 0.250 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001084745046 841906656 /nfs/dbraw/zinc/90/66/56/841906656.db2.gz FUFUEHYTTXSIFM-JFIYKMOQSA-N 2 0 351.491 0.666 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](CCC2CC2)C3)CC1 ZINC001275894917 861251793 /nfs/dbraw/zinc/25/17/93/861251793.db2.gz CEJKPNBVJQKBOF-UHFFFAOYSA-N 2 0 350.507 0.337 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001275941572 861262855 /nfs/dbraw/zinc/26/28/55/861262855.db2.gz MSSLTIGYDPHVCL-OAHLLOKOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001085319675 842076237 /nfs/dbraw/zinc/07/62/37/842076237.db2.gz JLKCWFQQAQOZLM-RBSFLKMASA-N 2 0 350.463 0.150 20 0 FCADRP CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001085319643 842076810 /nfs/dbraw/zinc/07/68/10/842076810.db2.gz IFHBRGUHPMKZAK-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001085352899 842082727 /nfs/dbraw/zinc/08/27/27/842082727.db2.gz CQQYTCGYBIWNEN-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001086090135 842119055 /nfs/dbraw/zinc/11/90/55/842119055.db2.gz ISYNXBSIHQYWFU-MXASKKJJSA-N 2 0 371.547 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086091043 842120762 /nfs/dbraw/zinc/12/07/62/842120762.db2.gz FXXXBCYIXWUPLH-AIEDFZFUSA-N 2 0 350.463 0.006 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086370855 842128417 /nfs/dbraw/zinc/12/84/17/842128417.db2.gz CBQDLOPGCKXGPF-OVYGPGRDSA-N 2 0 371.547 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086370911 842128644 /nfs/dbraw/zinc/12/86/44/842128644.db2.gz FXXXBCYIXWUPLH-BTFPBAQTSA-N 2 0 350.463 0.006 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086370912 842128693 /nfs/dbraw/zinc/12/86/93/842128693.db2.gz FXXXBCYIXWUPLH-YYFQZIEXSA-N 2 0 350.463 0.006 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001086700048 842154022 /nfs/dbraw/zinc/15/40/22/842154022.db2.gz UXNQCIAXBVFEDK-YYIAUSFCSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086712201 842158660 /nfs/dbraw/zinc/15/86/60/842158660.db2.gz VHJJVDMMKPNFMC-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059028 842253561 /nfs/dbraw/zinc/25/35/61/842253561.db2.gz MZQKPNAYLYPOQP-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]C(C)C ZINC001087067443 842263666 /nfs/dbraw/zinc/26/36/66/842263666.db2.gz CBXUMQPXDSEZHG-CBYDULDESA-N 2 0 351.491 0.711 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087079569 842273867 /nfs/dbraw/zinc/27/38/67/842273867.db2.gz VXWVNOXDEHAFAC-NVXWUHKLSA-N 2 0 350.463 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087084591 842278134 /nfs/dbraw/zinc/27/81/34/842278134.db2.gz KKZWSVIDZLMOHA-HYVNUMGLSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087096386 842286685 /nfs/dbraw/zinc/28/66/85/842286685.db2.gz KPPZDZXNGISGAB-IIAWOOMASA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087096716 842286906 /nfs/dbraw/zinc/28/69/06/842286906.db2.gz YYQSTFSBEQAKAW-RRFJBIMHSA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087101071 842290285 /nfs/dbraw/zinc/29/02/85/842290285.db2.gz RQPRVNZTCKGRKZ-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCN1CCCC1=O ZINC001087578385 842362593 /nfs/dbraw/zinc/36/25/93/842362593.db2.gz RUBSECTVTDXSGR-WCXIOVBPSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)N1CCC1 ZINC001087578909 842362938 /nfs/dbraw/zinc/36/29/38/842362938.db2.gz WQWWESMIQYWSHM-MWDXBVQZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001276049927 861303462 /nfs/dbraw/zinc/30/34/62/861303462.db2.gz VONHFEFFPURPNZ-IDHHARJASA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087829366 842442630 /nfs/dbraw/zinc/44/26/30/842442630.db2.gz YPRHZHYBOHTLIB-LSDHHAIUSA-N 2 0 350.463 0.200 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088010862 842499639 /nfs/dbraw/zinc/49/96/39/842499639.db2.gz OBJWAMKAIAJASL-OWCLPIDISA-N 2 0 351.495 0.132 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106763 842532537 /nfs/dbraw/zinc/53/25/37/842532537.db2.gz PRJJOXKFKZYIFQ-QWQRMKEZSA-N 2 0 354.470 0.465 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107064 842532774 /nfs/dbraw/zinc/53/27/74/842532774.db2.gz FPFIQEQPWRIYOA-OWCLPIDISA-N 2 0 350.507 0.763 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809580 843102854 /nfs/dbraw/zinc/10/28/54/843102854.db2.gz LKWNEWIYYVJEFX-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014922 843141486 /nfs/dbraw/zinc/14/14/86/843141486.db2.gz GYVDVPRRZSBVHG-CLCXKQKWSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092507311 843223911 /nfs/dbraw/zinc/22/39/11/843223911.db2.gz AKYDDXNQHUTSSH-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP COC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092616183 843253187 /nfs/dbraw/zinc/25/31/87/843253187.db2.gz WIKIUCPNYLAEAV-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919286 843342006 /nfs/dbraw/zinc/34/20/06/843342006.db2.gz IRSHNRTZUQDODG-UMVBOHGHSA-N 2 0 350.463 0.773 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937414 843349002 /nfs/dbraw/zinc/34/90/02/843349002.db2.gz QKIGBESZMWLIQX-GDBMZVCRSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094012270 843504825 /nfs/dbraw/zinc/50/48/25/843504825.db2.gz JGVJQOHMZMJSPJ-HLLBOEOZSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094088636 843513788 /nfs/dbraw/zinc/51/37/88/843513788.db2.gz FHTAHTSKLFOFBT-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001094219231 843531233 /nfs/dbraw/zinc/53/12/33/843531233.db2.gz GLPFKVRMFOOHDH-HZSPNIEDSA-N 2 0 351.451 0.352 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094240875 843538950 /nfs/dbraw/zinc/53/89/50/843538950.db2.gz FTZJLRHIGMSZDQ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)CC1 ZINC001097092601 843844648 /nfs/dbraw/zinc/84/46/48/843844648.db2.gz QEAYJKYLCBXHRJ-DZVNLGKHSA-N 2 0 351.491 0.447 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001098371744 843911118 /nfs/dbraw/zinc/91/11/18/843911118.db2.gz FGPSAORTTOFMEM-SOLBZPMBSA-N 2 0 353.507 0.648 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062843 843958702 /nfs/dbraw/zinc/95/87/02/843958702.db2.gz JSCBHGKLJUEPOF-QOKNQOGYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993909 844681842 /nfs/dbraw/zinc/68/18/42/844681842.db2.gz IMPBNQCBBHPGJT-OIISXLGYSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103086948 844699060 /nfs/dbraw/zinc/69/90/60/844699060.db2.gz YNMXHACOPPCNIY-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185535 844718661 /nfs/dbraw/zinc/71/86/61/844718661.db2.gz BNQKAWKGQLWEQW-IAGOWNOFSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308817 844734546 /nfs/dbraw/zinc/73/45/46/844734546.db2.gz IGAPWCLNJADZGQ-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001103398470 844751284 /nfs/dbraw/zinc/75/12/84/844751284.db2.gz UJQDWOOUOUNAKD-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C)[NH+](C)C ZINC001103407486 844752371 /nfs/dbraw/zinc/75/23/71/844752371.db2.gz FKUXHSGEMNJKMY-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436376 844757462 /nfs/dbraw/zinc/75/74/62/844757462.db2.gz VPPUOSUQPLLUDU-GVDBMIGSSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571032 844782634 /nfs/dbraw/zinc/78/26/34/844782634.db2.gz RZKMFUULBXSYHQ-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643499 844793980 /nfs/dbraw/zinc/79/39/80/844793980.db2.gz MVSRSKVMFUTYST-BZUAXINKSA-N 2 0 356.511 0.116 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103664421 844797854 /nfs/dbraw/zinc/79/78/54/844797854.db2.gz BCUVUWAKEOCUAT-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722578 844807678 /nfs/dbraw/zinc/80/76/78/844807678.db2.gz URRJZNGCCWLWCP-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001103999571 844851359 /nfs/dbraw/zinc/85/13/59/844851359.db2.gz CVODBKXWJSMHAC-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999997 844852434 /nfs/dbraw/zinc/85/24/34/844852434.db2.gz RILJZBZGERTKAN-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630431 861506476 /nfs/dbraw/zinc/50/64/76/861506476.db2.gz WMOZVABJVQCTFM-LJQANCHMSA-N 3 0 351.539 0.110 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001104211145 844877458 /nfs/dbraw/zinc/87/74/58/844877458.db2.gz UGWBJESBQRLQAT-KLHDSHLOSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104599876 844924075 /nfs/dbraw/zinc/92/40/75/844924075.db2.gz IUUMYTICESXKLE-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625544 844927670 /nfs/dbraw/zinc/92/76/70/844927670.db2.gz ROZAPMFRRAMDCD-HUUCEWRRSA-N 2 0 351.499 0.609 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622478 844927883 /nfs/dbraw/zinc/92/78/83/844927883.db2.gz ZIRPQMZLZIKGOP-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@H](C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)CS(C)(=O)=O ZINC001104625242 844927889 /nfs/dbraw/zinc/92/78/89/844927889.db2.gz BFIVJANBDQWWFG-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001104623674 844928022 /nfs/dbraw/zinc/92/80/22/844928022.db2.gz FNJCWOFNXCCBGZ-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001104694511 844933957 /nfs/dbraw/zinc/93/39/57/844933957.db2.gz VLVXKOJOBJHQJY-OWCLPIDISA-N 2 0 354.495 0.047 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832859 844950108 /nfs/dbraw/zinc/95/01/08/844950108.db2.gz XXAHXDUIMUZQIT-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104874626 844954100 /nfs/dbraw/zinc/95/41/00/844954100.db2.gz ZLSBOVFGWQXSSZ-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908094 844958928 /nfs/dbraw/zinc/95/89/28/844958928.db2.gz JBCXHFZNRYZLSI-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001105010219 844968814 /nfs/dbraw/zinc/96/88/14/844968814.db2.gz CNKGHZSOJZDRTH-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105660796 845011346 /nfs/dbraw/zinc/01/13/46/845011346.db2.gz YNWIKARJOOULOM-ZAWLATJESA-N 2 0 355.523 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105660793 845011715 /nfs/dbraw/zinc/01/17/15/845011715.db2.gz YNWIKARJOOULOM-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105666912 845013613 /nfs/dbraw/zinc/01/36/13/845013613.db2.gz LBGFUPWASQLBBA-FPAYPSAMSA-N 2 0 355.523 0.677 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105669915 845016080 /nfs/dbraw/zinc/01/60/80/845016080.db2.gz WMLFBHLWWJJSCH-ZAWLATJESA-N 2 0 355.523 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001105946287 845064986 /nfs/dbraw/zinc/06/49/86/845064986.db2.gz PLWGJQLPFZAZRF-UPJWGTAASA-N 2 0 366.491 0.255 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106149641 845115177 /nfs/dbraw/zinc/11/51/77/845115177.db2.gz PJUHQFYUFPWLTR-QBPKDAKJSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106149290 845115265 /nfs/dbraw/zinc/11/52/65/845115265.db2.gz CYZUKCWJYSUKAA-MUIFIZLQSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106148219 845115391 /nfs/dbraw/zinc/11/53/91/845115391.db2.gz JOLFKYDGHPJHQB-KCYZZUKISA-N 2 0 350.507 0.632 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC001106198848 845129701 /nfs/dbraw/zinc/12/97/01/845129701.db2.gz PZIGMXVECONQSS-FMKPAKJESA-N 2 0 354.474 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106249595 845142944 /nfs/dbraw/zinc/14/29/44/845142944.db2.gz LNFHTPKGFSLWIP-XYPHTWIQSA-N 2 0 350.507 0.537 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1)[NH+](C)C ZINC001106312857 845152928 /nfs/dbraw/zinc/15/29/28/845152928.db2.gz QHHHKKQJYXTBDJ-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(N)=O ZINC001106310115 845153083 /nfs/dbraw/zinc/15/30/83/845153083.db2.gz LQULVMAIKNKWFE-OAGGEKHMSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106357733 845163178 /nfs/dbraw/zinc/16/31/78/845163178.db2.gz LPXYVPGXCOSHLF-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106370888 845165071 /nfs/dbraw/zinc/16/50/71/845165071.db2.gz FOAAZTLSFSKOOO-HUUCEWRRSA-N 2 0 357.520 0.344 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370941 845165411 /nfs/dbraw/zinc/16/54/11/845165411.db2.gz IUNIRQJBLZLLOO-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001106592759 845201591 /nfs/dbraw/zinc/20/15/91/845201591.db2.gz UITXBKSYWJZJDM-BZUAXINKSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106588303 845201628 /nfs/dbraw/zinc/20/16/28/845201628.db2.gz OQXFTFURTYAFLS-UKRRQHHQSA-N 2 0 350.463 0.727 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106594522 845202585 /nfs/dbraw/zinc/20/25/85/845202585.db2.gz UIZQBVWRDRFCMD-HUUCEWRRSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001106622624 845207400 /nfs/dbraw/zinc/20/74/00/845207400.db2.gz ICJCWEQELLGSGV-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001106627148 845208739 /nfs/dbraw/zinc/20/87/39/845208739.db2.gz VDLDMOWXHWRTTF-MGPQQGTHSA-N 2 0 369.428 0.562 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)[NH+](C)C ZINC001106633191 845209818 /nfs/dbraw/zinc/20/98/18/845209818.db2.gz CNWZPUPNRGEUSC-IIDMSEBBSA-N 2 0 352.523 0.878 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665810 845219419 /nfs/dbraw/zinc/21/94/19/845219419.db2.gz CDJVWNSGWKHNBV-ARFHVFGLSA-N 2 0 359.536 0.447 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1)[NH+](C)C ZINC001106673149 845221170 /nfs/dbraw/zinc/22/11/70/845221170.db2.gz FJOSUOWJDUUWDK-OIISXLGYSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001106672847 845221483 /nfs/dbraw/zinc/22/14/83/845221483.db2.gz MCELCQFBSMFMHD-BZUAXINKSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874649 845276268 /nfs/dbraw/zinc/27/62/68/845276268.db2.gz OKZMNUXOTWWYPJ-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874776 845276375 /nfs/dbraw/zinc/27/63/75/845276375.db2.gz SKKLEFLDQFNFAT-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882443 845278172 /nfs/dbraw/zinc/27/81/72/845278172.db2.gz VWEPCZQVCFXUQA-HZPDHXFCSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106897651 845281767 /nfs/dbraw/zinc/28/17/67/845281767.db2.gz KKBYSSYMKRNHQI-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001106927257 845287408 /nfs/dbraw/zinc/28/74/08/845287408.db2.gz GIYMVUUKCFBXBT-MDZRGWNJSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106983708 845299718 /nfs/dbraw/zinc/29/97/18/845299718.db2.gz FUOFLKDZZHSZAR-CHWSQXEVSA-N 2 0 366.491 0.257 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C)C1CC1 ZINC001106981599 845299736 /nfs/dbraw/zinc/29/97/36/845299736.db2.gz WQBZDTCKPAMZJR-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106982566 845299836 /nfs/dbraw/zinc/29/98/36/845299836.db2.gz MSZJWXJAWGBZKP-HYVNUMGLSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001107033722 845313207 /nfs/dbraw/zinc/31/32/07/845313207.db2.gz XVTKEEHWNKYMHJ-HZPDHXFCSA-N 2 0 359.536 0.591 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001107040119 845317187 /nfs/dbraw/zinc/31/71/87/845317187.db2.gz DJWOLVTWALZXGR-CHWSQXEVSA-N 2 0 368.507 0.501 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001107449480 845375026 /nfs/dbraw/zinc/37/50/26/845375026.db2.gz KRKPZGFONPDMEK-VQIMIIECSA-N 2 0 353.507 0.698 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001109932863 845763181 /nfs/dbraw/zinc/76/31/81/845763181.db2.gz WQQPJKADWCCMBU-NCOADZHNSA-N 2 0 357.495 0.074 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001110017563 845777828 /nfs/dbraw/zinc/77/78/28/845777828.db2.gz CBTXVHIUVNHKPD-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN1CCC2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001276794185 861610591 /nfs/dbraw/zinc/61/05/91/861610591.db2.gz DASVRKLJOWSLNP-MRXNPFEDSA-N 2 0 354.539 0.612 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001111098368 846033369 /nfs/dbraw/zinc/03/33/69/846033369.db2.gz AVZRMDJYRYKGFH-BDXSIMOUSA-N 2 0 353.507 0.980 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001111311393 846084569 /nfs/dbraw/zinc/08/45/69/846084569.db2.gz CBTXVHIUVNHKPD-HZMVEIRTSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001111311554 846084797 /nfs/dbraw/zinc/08/47/97/846084797.db2.gz KDODTYSSAQYIDF-VQHPVUNQSA-N 2 0 357.495 0.074 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001111751329 846191143 /nfs/dbraw/zinc/19/11/43/846191143.db2.gz QITBBRVYPUXWSD-SCTDSRPQSA-N 2 0 351.491 0.308 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111782615 846203401 /nfs/dbraw/zinc/20/34/01/846203401.db2.gz QJMSRKUESRJHOH-SCTDSRPQSA-N 2 0 353.507 0.840 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111858232 846234126 /nfs/dbraw/zinc/23/41/26/846234126.db2.gz VFNTYFZPWRIMGN-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001111907492 846254834 /nfs/dbraw/zinc/25/48/34/846254834.db2.gz CPHKRIDGSAWXDM-KXBFYZLASA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111927812 846263344 /nfs/dbraw/zinc/26/33/44/846263344.db2.gz OSWFSYNVVRPBFO-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937942 846267021 /nfs/dbraw/zinc/26/70/21/846267021.db2.gz CUKDKNAMCPKTSA-YJBOKZPZSA-N 2 0 354.495 0.014 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004230 846289790 /nfs/dbraw/zinc/28/97/90/846289790.db2.gz QLARFLIPRLZESU-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005163 846291614 /nfs/dbraw/zinc/29/16/14/846291614.db2.gz XZKXESOOGDRUFD-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001112009846 846294480 /nfs/dbraw/zinc/29/44/80/846294480.db2.gz WUUDKYLEVBXUME-YJBOKZPZSA-N 2 0 351.495 0.323 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276874301 861663177 /nfs/dbraw/zinc/66/31/77/861663177.db2.gz HARAQTCBSPXYRB-QZTJIDSGSA-N 2 0 352.523 0.726 20 0 FCADRP CC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899102 861676314 /nfs/dbraw/zinc/67/63/14/861676314.db2.gz GAEMXQXXSSTGKH-APWZRJJASA-N 2 0 350.507 0.526 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112189905 846449072 /nfs/dbraw/zinc/44/90/72/846449072.db2.gz BQCKPDKHGREPPT-YNEHKIRRSA-N 2 0 355.401 0.314 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194211 846452608 /nfs/dbraw/zinc/45/26/08/846452608.db2.gz SCXRCFLKUNVQHS-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1 ZINC001112284958 846487373 /nfs/dbraw/zinc/48/73/73/846487373.db2.gz GCWASPSCTWIYFY-JZXOWHBKSA-N 2 0 371.547 0.734 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112396969 846501127 /nfs/dbraw/zinc/50/11/27/846501127.db2.gz MRAPDBVIGMWVGS-GJYPPUQNSA-N 2 0 350.507 0.668 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401789 846502220 /nfs/dbraw/zinc/50/22/20/846502220.db2.gz YGWJOKSTKPLFGG-DOXZYTNZSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112518961 846512422 /nfs/dbraw/zinc/51/24/22/846512422.db2.gz LGGCZJPAXVXGEV-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1 ZINC001112523399 846514341 /nfs/dbraw/zinc/51/43/41/846514341.db2.gz QWANXPJQKDMUKP-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112529722 846516576 /nfs/dbraw/zinc/51/65/76/846516576.db2.gz MCDQSZYHRNMNRN-BXWFABGCSA-N 2 0 350.507 0.635 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112548851 846521559 /nfs/dbraw/zinc/52/15/59/846521559.db2.gz VSHZXFLQZRAGMF-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112557444 846523073 /nfs/dbraw/zinc/52/30/73/846523073.db2.gz GTZYWDCNUQVLTG-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112557415 846523312 /nfs/dbraw/zinc/52/33/12/846523312.db2.gz FHSWUWXSAWKVBV-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnsn2)C1 ZINC001112563691 846525355 /nfs/dbraw/zinc/52/53/55/846525355.db2.gz IUUMILVLNXESRT-YOEHRIQHSA-N 2 0 367.519 0.835 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958803 861703278 /nfs/dbraw/zinc/70/32/78/861703278.db2.gz APYUCGOELTTXLQ-MJGOQNOKSA-N 2 0 352.523 0.462 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714336 846744435 /nfs/dbraw/zinc/74/44/35/846744435.db2.gz DFQVOZWNOAMQIV-UONOGXRCSA-N 2 0 350.467 0.182 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116952409 846817701 /nfs/dbraw/zinc/81/77/01/846817701.db2.gz GQPQVHLDOLONJN-TWMKSMIVSA-N 2 0 352.523 0.879 20 0 FCADRP NC(=O)c1cn(CCCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)nn1 ZINC001118387434 847409290 /nfs/dbraw/zinc/40/92/90/847409290.db2.gz QWDZKCADBMIUQP-HNNXBMFYSA-N 2 0 350.467 0.390 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119403656 847834499 /nfs/dbraw/zinc/83/44/99/847834499.db2.gz MUBCYRJQQWOTLT-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119484062 847858988 /nfs/dbraw/zinc/85/89/88/847858988.db2.gz ZWZSFZDBOFCACK-MRXNPFEDSA-N 2 0 355.527 0.409 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC001119600489 847906430 /nfs/dbraw/zinc/90/64/30/847906430.db2.gz JMLCRRVUUTZTMR-KRWDZBQOSA-N 2 0 350.507 0.528 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001120496894 848221078 /nfs/dbraw/zinc/22/10/78/848221078.db2.gz MXAXILSYJUQBEE-HNNXBMFYSA-N 2 0 352.431 0.259 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001120582606 848249007 /nfs/dbraw/zinc/24/90/07/848249007.db2.gz JOZHPOHXDMXHRA-INIZCTEOSA-N 2 0 354.495 0.555 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001120642581 848260159 /nfs/dbraw/zinc/26/01/59/848260159.db2.gz SAPLLMOHMWRJKR-IAGOWNOFSA-N 2 0 353.511 0.163 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810715 848397716 /nfs/dbraw/zinc/39/77/16/848397716.db2.gz NSSTTZSCXNAGOV-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362146 848498868 /nfs/dbraw/zinc/49/88/68/848498868.db2.gz OHJKHEDUSMVQCH-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC001127644265 848729702 /nfs/dbraw/zinc/72/97/02/848729702.db2.gz XJFXNUJYVVFZMS-UKRRQHHQSA-N 2 0 364.515 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1C ZINC001127707259 848734249 /nfs/dbraw/zinc/73/42/49/848734249.db2.gz XKRDGVMJOHSIGJ-BHYGNILZSA-N 2 0 353.463 0.593 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCc2ccco2)CC[N@@H+]1C ZINC001127707264 848734310 /nfs/dbraw/zinc/73/43/10/848734310.db2.gz XPNKUSHVFQPWPM-CWRNSKLLSA-N 2 0 350.463 0.720 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001127707027 848734341 /nfs/dbraw/zinc/73/43/41/848734341.db2.gz SUTBPQKOLRCRSH-NWDGAFQWSA-N 2 0 352.401 0.443 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129400399 848839873 /nfs/dbraw/zinc/83/98/73/848839873.db2.gz MENWBCKMVWDLMK-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129407737 848840780 /nfs/dbraw/zinc/84/07/80/848840780.db2.gz VHFWRTVLOOTVAS-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129453818 848846616 /nfs/dbraw/zinc/84/66/16/848846616.db2.gz KOVYJUXYOSNYJJ-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685445 848881563 /nfs/dbraw/zinc/88/15/63/848881563.db2.gz RTBRHZWWWLDCGA-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129900060 848912514 /nfs/dbraw/zinc/91/25/14/848912514.db2.gz YUNRVCHCGGQDSG-TXUBFAOLSA-N 2 0 354.886 0.958 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910459 848914032 /nfs/dbraw/zinc/91/40/32/848914032.db2.gz UNTVRNDMVVBINY-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001129954681 848921394 /nfs/dbraw/zinc/92/13/94/848921394.db2.gz ZFVVWCIBEOJLOY-CABCVRRESA-N 2 0 352.458 0.854 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)CC1 ZINC001129991910 848926260 /nfs/dbraw/zinc/92/62/60/848926260.db2.gz CDXLBFXZVGAOQV-NUOYGZHNSA-N 2 0 352.870 0.714 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007619 848929981 /nfs/dbraw/zinc/92/99/81/848929981.db2.gz NPPDOIFIVSLMNQ-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP O=C(N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001130091377 848943732 /nfs/dbraw/zinc/94/37/32/848943732.db2.gz PMLJZNRNVPVWGH-FVEKBPEJSA-N 2 0 350.854 0.468 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136944 848950014 /nfs/dbraw/zinc/95/00/14/848950014.db2.gz AGTCNLODNKQMQC-XHSDSOJGSA-N 2 0 352.483 0.121 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001130215716 848977672 /nfs/dbraw/zinc/97/76/72/848977672.db2.gz CSMIBDSSRYOODG-YDHLFZDLSA-N 2 0 352.483 0.489 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130657098 849024767 /nfs/dbraw/zinc/02/47/67/849024767.db2.gz YMQRFPHTWNFEMD-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)[N@H+](C)CC)n2)O1 ZINC001130790050 849042620 /nfs/dbraw/zinc/04/26/20/849042620.db2.gz FRUMPOPMCBHPIZ-QWHCGFSZSA-N 2 0 352.483 0.981 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC[NH+](C)C)n2)O1 ZINC001130804848 849046199 /nfs/dbraw/zinc/04/61/99/849046199.db2.gz PTKMWJCDMUSRSU-UONOGXRCSA-N 2 0 352.483 0.982 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1)[NH+](C)C ZINC001130809223 849047248 /nfs/dbraw/zinc/04/72/48/849047248.db2.gz MUKFTMGAPQOYLU-MELADBBJSA-N 2 0 352.483 0.979 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130812884 849047505 /nfs/dbraw/zinc/04/75/05/849047505.db2.gz DGWAMXYQWPRSAV-UONOGXRCSA-N 2 0 352.483 0.981 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131115182 849080741 /nfs/dbraw/zinc/08/07/41/849080741.db2.gz BZPGETASFWAALY-HZPDHXFCSA-N 2 0 351.495 0.418 20 0 FCADRP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313073 849093357 /nfs/dbraw/zinc/09/33/57/849093357.db2.gz GRFBGEHBYDWXKP-XHSDSOJGSA-N 2 0 352.479 0.844 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313367 849094634 /nfs/dbraw/zinc/09/46/34/849094634.db2.gz PIHVQJGEICOEHF-XHSDSOJGSA-N 2 0 352.479 0.843 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001131562178 849123668 /nfs/dbraw/zinc/12/36/68/849123668.db2.gz NSJIZZDCKBSOGI-WDYCEAGBSA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131582962 849126721 /nfs/dbraw/zinc/12/67/21/849126721.db2.gz IOTKPRZOECWMQD-UNEWFSDZSA-N 2 0 354.495 0.188 20 0 FCADRP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131605061 849129061 /nfs/dbraw/zinc/12/90/61/849129061.db2.gz VOBKWZSREHOVGC-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762570 862057517 /nfs/dbraw/zinc/05/75/17/862057517.db2.gz XCKWMHYAONCQQI-LJQANCHMSA-N 2 0 352.523 0.319 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001154641958 849804927 /nfs/dbraw/zinc/80/49/27/849804927.db2.gz OGPYUOSFABHDQL-UHFFFAOYSA-N 2 0 350.448 0.803 20 0 FCADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155021259 849825430 /nfs/dbraw/zinc/82/54/30/849825430.db2.gz VBIWYILKGKJNDK-QWHCGFSZSA-N 2 0 367.519 0.616 20 0 FCADRP CS(=O)(=O)c1nc2c(c(NC[C@]3(F)CCCC[NH2+]C3)n1)CC[NH2+]CC2 ZINC001155115540 849831543 /nfs/dbraw/zinc/83/15/43/849831543.db2.gz QWKDEQBFDKNNIX-INIZCTEOSA-N 2 0 371.482 0.462 20 0 FCADRP CC(C)[N@H+](C)[C@@H]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001157000579 849936717 /nfs/dbraw/zinc/93/67/17/849936717.db2.gz GMVUCUHKURAMFH-CYBMUJFWSA-N 2 0 367.519 0.487 20 0 FCADRP CCOC(=O)Cn1cnc2c1nc(Cl)nc2NC(=[NH2+])NCCCC[NH3+] ZINC001157096207 849946143 /nfs/dbraw/zinc/94/61/43/849946143.db2.gz GFNJPDHUFZLTJJ-UHFFFAOYSA-N 2 0 368.829 0.718 20 0 FCADRP O=C(c1csc([C@H]2CCC[NH2+]2)n1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120256 850020159 /nfs/dbraw/zinc/02/01/59/850020159.db2.gz MPKKZJYCZSTRCR-DIFFPNOSSA-N 2 0 361.471 0.119 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159597 850020789 /nfs/dbraw/zinc/02/07/89/850020789.db2.gz FHJFUCYYLFDURG-WFASDCNBSA-N 2 0 364.412 0.907 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccsc2)C1 ZINC001158167062 850021008 /nfs/dbraw/zinc/02/10/08/850021008.db2.gz ICDQNNQFJAAYPT-TWMKSMIVSA-N 2 0 364.515 0.659 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241051 850027590 /nfs/dbraw/zinc/02/75/90/850027590.db2.gz QJGIIQXRBAKSQN-GHMZBOCLSA-N 2 0 351.369 0.942 20 0 FCADRP COC(OC)c1c(CO)ccnc1N1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001158263054 850030137 /nfs/dbraw/zinc/03/01/37/850030137.db2.gz XMICIFJZKRFLNM-CQSZACIVSA-N 2 0 350.463 0.867 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1C ZINC001158379575 850041111 /nfs/dbraw/zinc/04/11/11/850041111.db2.gz CPRMAQHWJNTONU-BFYDXBDKSA-N 2 0 353.463 0.593 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@]1(C)CCC[NH2+]1)C2 ZINC001158379742 850041403 /nfs/dbraw/zinc/04/14/03/850041403.db2.gz FXTDXNNNQYTNPI-RBSFLKMASA-N 2 0 363.380 0.672 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)C2 ZINC001158383571 850043878 /nfs/dbraw/zinc/04/38/78/850043878.db2.gz QWWLUFCUXCHBEN-BSLXNSKLSA-N 2 0 361.364 0.282 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1CC[NH2+]CC1)C2 ZINC001158384290 850044979 /nfs/dbraw/zinc/04/49/79/850044979.db2.gz RTXIBGLKOARLAZ-CABCVRRESA-N 2 0 363.380 0.530 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001158389379 850045668 /nfs/dbraw/zinc/04/56/68/850045668.db2.gz BTUINILINVCCQN-MGPQQGTHSA-N 2 0 351.451 0.746 20 0 FCADRP CC(C)N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)c1ncnc2c1CC[NH2+]CC2 ZINC001158759935 850072928 /nfs/dbraw/zinc/07/29/28/850072928.db2.gz VBPCNNVTWZCXPI-RZFZLAGVSA-N 2 0 353.492 0.002 20 0 FCADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)[C@H]2C[NH2+]CCN2)CC3)cs1 ZINC001158976233 850089715 /nfs/dbraw/zinc/08/97/15/850089715.db2.gz FQOXJSZYFIPPGO-MRXNPFEDSA-N 2 0 363.531 0.970 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(N3CC[NH+](C)CC3)nn2)O1 ZINC001159238744 850104246 /nfs/dbraw/zinc/10/42/46/850104246.db2.gz QUEXXSYCNVOBTA-CPUCHLNUSA-N 2 0 350.467 0.365 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(OC3CC[NH2+]CC3)nn2)O1 ZINC001159243942 850104453 /nfs/dbraw/zinc/10/44/53/850104453.db2.gz WBVMONIBFNBYKL-CKEIUWERSA-N 2 0 351.451 0.744 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(N)CC[NH2+]CC1)C2 ZINC001159480996 850117857 /nfs/dbraw/zinc/11/78/57/850117857.db2.gz GUWIYWHNOJBYCR-SJLPKXTDSA-N 2 0 350.507 0.274 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CN1CC[NH2+]CC1)C2 ZINC001159481403 850118033 /nfs/dbraw/zinc/11/80/33/850118033.db2.gz OBHQYELDRPEWEV-IEBWSBKVSA-N 2 0 350.507 0.099 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159561014 850121701 /nfs/dbraw/zinc/12/17/01/850121701.db2.gz UQHVJAZNTXFIJD-HWRSSNJWSA-N 2 0 367.519 0.353 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]2C ZINC001159633376 850125632 /nfs/dbraw/zinc/12/56/32/850125632.db2.gz KPKNVBQVLCWZMT-ZFWWWQNUSA-N 3 0 368.551 0.646 20 0 FCADRP CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159844879 850140916 /nfs/dbraw/zinc/14/09/16/850140916.db2.gz LGOUAKVOOVXOOE-LSDHHAIUSA-N 2 0 354.495 0.223 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159907514 850144179 /nfs/dbraw/zinc/14/41/79/850144179.db2.gz FNKMLPHHTUKWBY-JKIFEVAISA-N 2 0 368.503 0.604 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160025328 850149613 /nfs/dbraw/zinc/14/96/13/850149613.db2.gz BGWLUOLKPJGZKC-JJXSEGSLSA-N 2 0 352.479 0.214 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCOCCO)CC2)CC[N@@H+]1C ZINC001160168937 850156232 /nfs/dbraw/zinc/15/62/32/850156232.db2.gz DOGXKHLADSZTMG-ZWKOTPCHSA-N 2 0 353.507 0.864 20 0 FCADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160383122 850168593 /nfs/dbraw/zinc/16/85/93/850168593.db2.gz ZFYDJHKQMNSVHZ-AWEZNQCLSA-N 2 0 351.499 0.307 20 0 FCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)C1 ZINC001160388574 850170716 /nfs/dbraw/zinc/17/07/16/850170716.db2.gz LDXLTRMTIGUVRB-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160610504 850185884 /nfs/dbraw/zinc/18/58/84/850185884.db2.gz DVBWLAPZMHWERQ-HOTGVXAUSA-N 2 0 353.488 0.778 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160630475 850186440 /nfs/dbraw/zinc/18/64/40/850186440.db2.gz ZIKOILIVXFILLB-QGZVFWFLSA-N 4 0 353.555 0.593 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160630085 850186814 /nfs/dbraw/zinc/18/68/14/850186814.db2.gz VHXKSRHVHPWFIJ-RDJZCZTQSA-N 3 0 357.543 0.208 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001160629218 850187015 /nfs/dbraw/zinc/18/70/15/850187015.db2.gz JNHPLIGVIPJDMO-GOSISDBHSA-N 3 0 350.507 0.994 20 0 FCADRP O=C(N1Cc2cc(Br)cnc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160664507 850190351 /nfs/dbraw/zinc/19/03/51/850190351.db2.gz RXBVOZOSNASOIE-IAQYHMDHSA-N 2 0 351.248 0.885 20 0 FCADRP CS(=O)(=O)c1nc2c(c(NCc3ccccc3C[NH3+])n1)CC[NH2+]CC2 ZINC001160906242 850212639 /nfs/dbraw/zinc/21/26/39/850212639.db2.gz QPPBJITVNGUABF-UHFFFAOYSA-N 2 0 361.471 0.639 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912672 850213743 /nfs/dbraw/zinc/21/37/43/850213743.db2.gz MTHYWVASTNKFKX-GFCCVEGCSA-N 2 0 351.838 0.309 20 0 FCADRP CS(=O)(=O)c1nc2c(c(Nc3cccc(CC[NH3+])c3)n1)CC[NH2+]CC2 ZINC001161078091 850228556 /nfs/dbraw/zinc/22/85/56/850228556.db2.gz LRAMMXBZEKCEEP-UHFFFAOYSA-N 2 0 361.471 0.813 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161175301 850237280 /nfs/dbraw/zinc/23/72/80/850237280.db2.gz KPQMPKPGHSRSSX-GJZGRUSLSA-N 2 0 356.511 0.170 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC1 ZINC001161174893 850237474 /nfs/dbraw/zinc/23/74/74/850237474.db2.gz FYESQYWCBKKXON-VQIMIIECSA-N 2 0 353.507 0.840 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274345 850246458 /nfs/dbraw/zinc/24/64/58/850246458.db2.gz SNIZCJCWEQFSFO-HOTGVXAUSA-N 2 0 365.503 0.316 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C2CCOCC2)CC1 ZINC001161322136 850251732 /nfs/dbraw/zinc/25/17/32/850251732.db2.gz XSYRZZGCMWHNPY-DZKIICNBSA-N 2 0 352.479 0.132 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])Cc1cccs1)CC2 ZINC001161481062 850261771 /nfs/dbraw/zinc/26/17/71/850261771.db2.gz WETZLSIBJXQGBX-RVSPLBMKSA-N 2 0 351.472 0.762 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1nc3c(s1)C[NH2+]CC3)CC2 ZINC001161483134 850263784 /nfs/dbraw/zinc/26/37/84/850263784.db2.gz KSKHSGFDCIGPHU-WBMJQRKESA-N 2 0 350.444 0.156 20 0 FCADRP CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@H]1C ZINC001161499147 850264452 /nfs/dbraw/zinc/26/44/52/850264452.db2.gz IHBKLCWDCKFRIQ-IJEWVQPXSA-N 2 0 354.495 0.175 20 0 FCADRP C[NH+]1CCC(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001161816296 850284940 /nfs/dbraw/zinc/28/49/40/850284940.db2.gz BATXQICJEIELIE-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001161884266 850288165 /nfs/dbraw/zinc/28/81/65/850288165.db2.gz MTYOFIVSGDHUJI-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162283277 850306744 /nfs/dbraw/zinc/30/67/44/850306744.db2.gz UQAJDOFGBOWHJO-QLFBSQMISA-N 2 0 354.495 0.045 20 0 FCADRP C[C@H]1CC[C@H](C[NH3+])CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164456462 850411207 /nfs/dbraw/zinc/41/12/07/850411207.db2.gz ODNDXCUYCZWODR-NWDGAFQWSA-N 2 0 353.492 0.132 20 0 FCADRP O=S(=O)(N(C[C@H]1CCC[NH2+]1)c1ncc2c(n1)CC[NH2+]C2)C(F)(F)F ZINC001166883443 850510186 /nfs/dbraw/zinc/51/01/86/850510186.db2.gz LGKPTPIYOOPJHE-SNVBAGLBSA-N 2 0 365.381 0.530 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001167092060 850522349 /nfs/dbraw/zinc/52/23/49/850522349.db2.gz CMDDVWWCGOXQLP-SJORKVTESA-N 2 0 367.515 0.472 20 0 FCADRP C[NH2+]Cc1c(C)nn(-c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)c1C ZINC001167098065 850523420 /nfs/dbraw/zinc/52/34/20/850523420.db2.gz BFCYKCCUNXSIBJ-UHFFFAOYSA-N 2 0 364.475 0.090 20 0 FCADRP CS(=O)(=O)N1CCN(c2cccc(NCC[C@H]3CCC[NH2+]3)[nH+]2)CC1 ZINC001169563147 850630041 /nfs/dbraw/zinc/63/00/41/850630041.db2.gz SSOPMXDVWJYTGZ-CQSZACIVSA-N 2 0 353.492 0.717 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(N3CC[NH2+][C@H](C)C3)nn2)O1 ZINC001170272664 850649027 /nfs/dbraw/zinc/64/90/27/850649027.db2.gz JUWCNTZVRFJDAC-VMUDFCTBSA-N 2 0 350.467 0.411 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cncc(N3CCC([NH3+])CC3)n2)O1 ZINC001170274430 850649042 /nfs/dbraw/zinc/64/90/42/850649042.db2.gz XJYPUGIMJUWHSO-CPUCHLNUSA-N 2 0 350.467 0.541 20 0 FCADRP C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862241 850667903 /nfs/dbraw/zinc/66/79/03/850667903.db2.gz KBXQFSBXSKCBNY-MGPQQGTHSA-N 2 0 352.483 0.213 20 0 FCADRP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863701 850669017 /nfs/dbraw/zinc/66/90/17/850669017.db2.gz XWRRGCKXCHFCEK-RBSFLKMASA-N 2 0 362.540 0.140 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCCOCCOCCC[NH3+])CC1=O ZINC001171686993 850693182 /nfs/dbraw/zinc/69/31/82/850693182.db2.gz GYJUAYKBKVQGMZ-AWEZNQCLSA-N 2 0 359.467 0.884 20 0 FCADRP COC(=O)N1CCC([NH2+]CCCOCCOCCOCCC[NH3+])CC1 ZINC001172732469 850713991 /nfs/dbraw/zinc/71/39/91/850713991.db2.gz VGZQJEZFDHFCJL-UHFFFAOYSA-N 2 0 361.483 0.596 20 0 FCADRP CC[N@@H+]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001173360538 850721035 /nfs/dbraw/zinc/72/10/35/850721035.db2.gz IZZPAMSLOOKOAF-QGZVFWFLSA-N 2 0 351.539 0.251 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522148 850724816 /nfs/dbraw/zinc/72/48/16/850724816.db2.gz XEIYOFHWANRSIR-CXAGYDPISA-N 2 0 359.467 0.883 20 0 FCADRP CC(C)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1ncc(Br)cn1 ZINC001177813717 850869760 /nfs/dbraw/zinc/86/97/60/850869760.db2.gz NVXHNPKHHSQJLI-UHFFFAOYSA-N 2 0 357.256 0.978 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730961 850921126 /nfs/dbraw/zinc/92/11/26/850921126.db2.gz HNVVFWDYHQQWOX-QXSJWSMHSA-N 2 0 359.536 0.730 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](O)COC)C2)CC[N@@H+]1C ZINC001181516866 851116763 /nfs/dbraw/zinc/11/67/63/851116763.db2.gz BBWYHCKSYAFXIS-OGJJZOIMSA-N 2 0 355.523 0.798 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nc(Cl)ccc1=O ZINC001181892110 851139633 /nfs/dbraw/zinc/13/96/33/851139633.db2.gz HICPZDUXNKHOMI-UHFFFAOYSA-N 2 0 357.886 0.629 20 0 FCADRP C[N@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182014561 851145858 /nfs/dbraw/zinc/14/58/58/851145858.db2.gz BBNWKOXKXHLMJP-HNNXBMFYSA-N 2 0 354.495 0.901 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001182677341 851190553 /nfs/dbraw/zinc/19/05/53/851190553.db2.gz YUVATNJQEFYTIQ-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001182692549 851193036 /nfs/dbraw/zinc/19/30/36/851193036.db2.gz MXXQZJKHWSZHHM-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186372869 851428995 /nfs/dbraw/zinc/42/89/95/851428995.db2.gz FEAQDQQUIXEKOM-IXDOHACOSA-N 2 0 353.507 0.554 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485396 851795168 /nfs/dbraw/zinc/79/51/68/851795168.db2.gz VPEHDDXSJFQCBR-YESZJQIVSA-N 2 0 350.507 0.870 20 0 FCADRP COCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001278278527 862287384 /nfs/dbraw/zinc/28/73/84/862287384.db2.gz XHXQLCPFDKTGJL-IRXDYDNUSA-N 2 0 352.523 0.487 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001189810799 851827126 /nfs/dbraw/zinc/82/71/26/851827126.db2.gz HPANOEGOXKVXIM-ZNMIVQPWSA-N 2 0 361.433 0.522 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913743 851842356 /nfs/dbraw/zinc/84/23/56/851842356.db2.gz ZGVIDCHROKYJMC-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001190516661 851915780 /nfs/dbraw/zinc/91/57/80/851915780.db2.gz ADDNIYVOXAEUCF-CABCVRRESA-N 2 0 355.508 0.386 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001193766266 852485767 /nfs/dbraw/zinc/48/57/67/852485767.db2.gz QXFICGRXOOBYAF-BRWVUGGUSA-N 2 0 353.507 0.837 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982470 852685722 /nfs/dbraw/zinc/68/57/22/852685722.db2.gz LCDFSGQKPSAFPF-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)CCCC1 ZINC001195005959 852691144 /nfs/dbraw/zinc/69/11/44/852691144.db2.gz BSFABRXFLOVNCE-BRWVUGGUSA-N 2 0 353.507 0.981 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1)C1CCCC1 ZINC001195149631 852715438 /nfs/dbraw/zinc/71/54/38/852715438.db2.gz VMMKKJCGDWUEGV-ZACQAIPSSA-N 2 0 350.463 0.640 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195822044 852832363 /nfs/dbraw/zinc/83/23/63/852832363.db2.gz UUBWUEDSFRBAND-ZIAGYGMSSA-N 2 0 367.412 0.459 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176346 852905290 /nfs/dbraw/zinc/90/52/90/852905290.db2.gz LUQSWAFMCKUNLZ-BFHYXJOUSA-N 2 0 367.412 0.459 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176347 852905344 /nfs/dbraw/zinc/90/53/44/852905344.db2.gz LUQSWAFMCKUNLZ-MGPQQGTHSA-N 2 0 367.412 0.459 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222619 852920963 /nfs/dbraw/zinc/92/09/63/852920963.db2.gz VFRVSYLRARWKTR-ARFHVFGLSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308189 852934480 /nfs/dbraw/zinc/93/44/80/852934480.db2.gz YCDKVWVVJMGILG-NUEKZKHPSA-N 2 0 368.503 0.305 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2O)CC1 ZINC001197319457 853097950 /nfs/dbraw/zinc/09/79/50/853097950.db2.gz IIJHKAGNPBAILY-QZTJIDSGSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)CC1 ZINC001197320029 853099100 /nfs/dbraw/zinc/09/91/00/853099100.db2.gz TUPXPAVCZDDUSP-IAGOWNOFSA-N 2 0 367.515 0.563 20 0 FCADRP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001197948037 853190087 /nfs/dbraw/zinc/19/00/87/853190087.db2.gz DGLQZGYMJUQHAV-HZPDHXFCSA-N 2 0 350.463 0.483 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001199057523 853361127 /nfs/dbraw/zinc/36/11/27/853361127.db2.gz LSZRSPNMRGPKKN-KZNAEPCWSA-N 2 0 353.507 0.983 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001205334337 853604045 /nfs/dbraw/zinc/60/40/45/853604045.db2.gz KSKBZAQPYJPSIR-JKSUJKDBSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206992755 853778169 /nfs/dbraw/zinc/77/81/69/853778169.db2.gz FZMAMGOGKFLSLO-KLHDSHLOSA-N 2 0 374.551 0.045 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563449 853826434 /nfs/dbraw/zinc/82/64/34/853826434.db2.gz VGVQUGQNAULMQX-BPQIPLTHSA-N 2 0 355.523 0.941 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784416 853856963 /nfs/dbraw/zinc/85/69/63/853856963.db2.gz JLEHBADDHWPSTH-DJIMGWMZSA-N 2 0 350.463 0.352 20 0 FCADRP CCN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070311 853890688 /nfs/dbraw/zinc/89/06/88/853890688.db2.gz IVOQGHRRSKGIQI-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001208073256 853891804 /nfs/dbraw/zinc/89/18/04/853891804.db2.gz GIIPEBFNPVOIBW-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001208101528 853894660 /nfs/dbraw/zinc/89/46/60/853894660.db2.gz SGYASROVHYGDCL-INIZCTEOSA-N 2 0 356.511 0.802 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001208107164 853897714 /nfs/dbraw/zinc/89/77/14/853897714.db2.gz KVXNDHOXCFWBDJ-BRWVUGGUSA-N 2 0 351.491 0.809 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC001208107933 853897855 /nfs/dbraw/zinc/89/78/55/853897855.db2.gz XEDUTVMDLQIFPX-CVEARBPZSA-N 2 0 358.552 0.778 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208427635 853932185 /nfs/dbraw/zinc/93/21/85/853932185.db2.gz DJECZPPCFQSJFB-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447744 853935703 /nfs/dbraw/zinc/93/57/03/853935703.db2.gz OTRAHHFRFNZVGO-HZSPNIEDSA-N 2 0 369.428 0.705 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494238 853941733 /nfs/dbraw/zinc/94/17/33/853941733.db2.gz MDTANOIRHPFXAK-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611941 853960309 /nfs/dbraw/zinc/96/03/09/853960309.db2.gz YPLFQBNEJRLACJ-MJGOQNOKSA-N 2 0 352.523 0.489 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210041074 854072809 /nfs/dbraw/zinc/07/28/09/854072809.db2.gz PBPVIMLVXWBJJD-UKRRQHHQSA-N 2 0 354.520 0.997 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210416141 854107475 /nfs/dbraw/zinc/10/74/75/854107475.db2.gz IRDGZCIZAQJCAF-BRWVUGGUSA-N 2 0 351.495 0.412 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094899 854156985 /nfs/dbraw/zinc/15/69/85/854156985.db2.gz XONFOTBLTBKOCZ-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309331 854175813 /nfs/dbraw/zinc/17/58/13/854175813.db2.gz AJAVEBFTDHFALI-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369646 854182653 /nfs/dbraw/zinc/18/26/53/854182653.db2.gz NCBKFYDRTOMFMN-HUUCEWRRSA-N 2 0 362.540 0.093 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293556 854430653 /nfs/dbraw/zinc/43/06/53/854430653.db2.gz XHRMSGZIXCXFMC-RCCFBDPRSA-N 2 0 353.507 0.816 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293537 854430687 /nfs/dbraw/zinc/43/06/87/854430687.db2.gz VYTVFEXIKPZDSD-KZNAEPCWSA-N 2 0 351.491 0.570 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001212403604 854464511 /nfs/dbraw/zinc/46/45/11/854464511.db2.gz OFIFCWYWWFCYCJ-GVDBMIGSSA-N 2 0 357.495 0.074 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@H](OC)C1 ZINC001213204431 854531890 /nfs/dbraw/zinc/53/18/90/854531890.db2.gz KEVDJUCFHBQELQ-HZPDHXFCSA-N 2 0 352.479 0.985 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342323 854582734 /nfs/dbraw/zinc/58/27/34/854582734.db2.gz RFXHNRXHHYSBJP-ARFHVFGLSA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434801 854614254 /nfs/dbraw/zinc/61/42/54/854614254.db2.gz LPPGYNBPZXKGFV-IXDOHACOSA-N 2 0 351.495 0.819 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213575921 854672512 /nfs/dbraw/zinc/67/25/12/854672512.db2.gz ASAPFNWHGAUBQH-USXIJHARSA-N 2 0 352.479 0.948 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767181 854758789 /nfs/dbraw/zinc/75/87/89/854758789.db2.gz GWWZZUULVPSALM-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863977 854798994 /nfs/dbraw/zinc/79/89/94/854798994.db2.gz WPWPDKOQTHAJKZ-GVDBMIGSSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214343967 854928006 /nfs/dbraw/zinc/92/80/06/854928006.db2.gz KVPSKBGETDXZTO-OIISXLGYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214664172 854989286 /nfs/dbraw/zinc/98/92/86/854989286.db2.gz OOPSARVNMULNRH-MUIFIZLQSA-N 2 0 350.507 0.822 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214780316 855012314 /nfs/dbraw/zinc/01/23/14/855012314.db2.gz UYWBSOVAVOVDGV-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214847788 855022066 /nfs/dbraw/zinc/02/20/66/855022066.db2.gz SJOQGWQHGICGOL-RRFJBIMHSA-N 2 0 359.536 0.588 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847484 855022170 /nfs/dbraw/zinc/02/21/70/855022170.db2.gz GSKGCAWAIKLLOB-HUUCEWRRSA-N 2 0 359.536 0.732 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847806 855022188 /nfs/dbraw/zinc/02/21/88/855022188.db2.gz TXSWJGLDCVXCLW-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214861140 855024201 /nfs/dbraw/zinc/02/42/01/855024201.db2.gz JEMLDCSZNMCDDY-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1)[NH+](C)C ZINC001214952686 855039096 /nfs/dbraw/zinc/03/90/96/855039096.db2.gz HSTRVAXDZWHCTN-FVQBIDKESA-N 2 0 350.463 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214967214 855042412 /nfs/dbraw/zinc/04/24/12/855042412.db2.gz SPMRTSNLPSEGIM-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001215000089 855049539 /nfs/dbraw/zinc/04/95/39/855049539.db2.gz XQFDHYNCIQWRAD-HUUCEWRRSA-N 2 0 361.552 0.978 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215381373 855107054 /nfs/dbraw/zinc/10/70/54/855107054.db2.gz VCECAWXRJCBEIM-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001215413335 855111584 /nfs/dbraw/zinc/11/15/84/855111584.db2.gz CAGTXHZKXVIPNW-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)C1=O ZINC001215413403 855112251 /nfs/dbraw/zinc/11/22/51/855112251.db2.gz FNGNTUJWZQNSFQ-BZUAXINKSA-N 2 0 350.507 0.774 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415626 855112489 /nfs/dbraw/zinc/11/24/89/855112489.db2.gz DEVPZPIYPJWKDF-UKRRQHHQSA-N 2 0 366.531 0.997 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453505 855117436 /nfs/dbraw/zinc/11/74/36/855117436.db2.gz FMCHZCDYXSDRAF-HLLBOEOZSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215536045 855125070 /nfs/dbraw/zinc/12/50/70/855125070.db2.gz FOEYHVGVYTWYTD-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215536883 855125858 /nfs/dbraw/zinc/12/58/58/855125858.db2.gz XXUNXXPZGGPUNT-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001215539887 855126618 /nfs/dbraw/zinc/12/66/18/855126618.db2.gz BNQKLOPEPSLQQY-BFHYXJOUSA-N 2 0 365.503 0.860 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3nncs3)C2)C1 ZINC001215540588 855126628 /nfs/dbraw/zinc/12/66/28/855126628.db2.gz MZXWWFUSTPWUBX-JHJVBQTASA-N 2 0 366.491 0.255 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001215993752 855163138 /nfs/dbraw/zinc/16/31/38/855163138.db2.gz CVKCNMMLLCQEHT-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216226254 855181325 /nfs/dbraw/zinc/18/13/25/855181325.db2.gz PFPCWDXRGGXVKU-HUUCEWRRSA-N 2 0 355.527 0.862 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226309 855181375 /nfs/dbraw/zinc/18/13/75/855181375.db2.gz RYGKGYLRRIHMNF-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229930 855182155 /nfs/dbraw/zinc/18/21/55/855182155.db2.gz SKUOYAPUKQAKTE-FRRDWIJNSA-N 2 0 366.428 0.832 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382965 855196782 /nfs/dbraw/zinc/19/67/82/855196782.db2.gz FSCFJXHPLDYVQH-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)sn1 ZINC001216402148 855199532 /nfs/dbraw/zinc/19/95/32/855199532.db2.gz VMYFEPINDMEEJF-TZMCWYRMSA-N 2 0 356.492 0.666 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401685 855199577 /nfs/dbraw/zinc/19/95/77/855199577.db2.gz OZLNMGWCDQLIAG-HUUCEWRRSA-N 2 0 356.511 0.306 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)CS(C)(=O)=O ZINC001216458812 855204527 /nfs/dbraw/zinc/20/45/27/855204527.db2.gz CCBNGCCSAMTPQZ-ARFHVFGLSA-N 2 0 361.552 0.836 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216511389 855209444 /nfs/dbraw/zinc/20/94/44/855209444.db2.gz QLDLHJMLNIQJBH-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216511421 855209673 /nfs/dbraw/zinc/20/96/73/855209673.db2.gz RRIQSMLTZLMHDM-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216751938 855231565 /nfs/dbraw/zinc/23/15/65/855231565.db2.gz CKZVJTYYPLESRZ-MGPQQGTHSA-N 2 0 365.503 0.494 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216757688 855233776 /nfs/dbraw/zinc/23/37/76/855233776.db2.gz ISSXZMKZMCZKGA-ZIAGYGMSSA-N 2 0 365.503 0.638 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757696 855233993 /nfs/dbraw/zinc/23/39/93/855233993.db2.gz IWMYXHMGGWCGKS-BRWVUGGUSA-N 2 0 357.495 0.054 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)s1 ZINC001216851859 855259516 /nfs/dbraw/zinc/25/95/16/855259516.db2.gz JPEJUPKGGYXZKV-DGCLKSJQSA-N 2 0 368.507 0.562 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216854442 855260757 /nfs/dbraw/zinc/26/07/57/855260757.db2.gz ZCWBWNXSUFNQJL-FRRDWIJNSA-N 2 0 366.428 0.830 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005574 855275147 /nfs/dbraw/zinc/27/51/47/855275147.db2.gz KRFWNLJVTNNNFM-GDBMZVCRSA-N 2 0 353.511 0.472 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001218289173 855412024 /nfs/dbraw/zinc/41/20/24/855412024.db2.gz JIZXRLLRMVQOTG-NSHDSACASA-N 2 0 350.419 0.234 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC001218356126 855417473 /nfs/dbraw/zinc/41/74/73/855417473.db2.gz YEIDNGGHYGKLLV-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC001218535121 855436362 /nfs/dbraw/zinc/43/63/62/855436362.db2.gz WYOLKKMYZXKDFG-RYUDHWBXSA-N 2 0 359.455 0.567 20 0 FCADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)sc2C1 ZINC001218533693 855436406 /nfs/dbraw/zinc/43/64/06/855436406.db2.gz RGKKEGABVPCACD-WXHSDQCUSA-N 2 0 363.487 0.641 20 0 FCADRP [NH3+][C@H]1CCc2nc(NC(=O)C3([NH3+])CCC4(CC3)OCCO4)sc2C1 ZINC001218533815 855436516 /nfs/dbraw/zinc/43/65/16/855436516.db2.gz PSCHDEVYOQPKEN-JTQLQIEISA-N 2 0 352.460 0.912 20 0 FCADRP Cc1nc(Cl)ncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218585884 855444811 /nfs/dbraw/zinc/44/48/11/855444811.db2.gz ATEHOZDFBBFJIE-AAEUAGOBSA-N 2 0 368.869 0.824 20 0 FCADRP CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218596221 855446519 /nfs/dbraw/zinc/44/65/19/855446519.db2.gz YJCCWZRCSVOBGY-VIFPVBQESA-N 2 0 367.435 0.028 20 0 FCADRP Cc1nc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc(N2CCOCC2)n1 ZINC001218621434 855451837 /nfs/dbraw/zinc/45/18/37/855451837.db2.gz UKYHPSOKCWFSNZ-AWEZNQCLSA-N 2 0 350.467 0.619 20 0 FCADRP C[C@@H]1CCc2sc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C(N)=O)c2C1 ZINC001218707880 855467887 /nfs/dbraw/zinc/46/78/87/855467887.db2.gz NAIQWSDSNSXSQS-SCZZXKLOSA-N 2 0 356.517 0.930 20 0 FCADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001218861683 855487687 /nfs/dbraw/zinc/48/76/87/855487687.db2.gz MFJHXYXABLBVKE-ZDUSSCGKSA-N 3 0 355.483 0.535 20 0 FCADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1CC[NH2+]C[C@H]1F ZINC001218873418 855489557 /nfs/dbraw/zinc/48/95/57/855489557.db2.gz IIJOTVUMPGOKKO-DLBZAZTESA-N 2 0 350.438 0.687 20 0 FCADRP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965692 855504609 /nfs/dbraw/zinc/50/46/09/855504609.db2.gz QLOJOUPFHLPEJC-DLBZAZTESA-N 2 0 357.495 0.293 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233327 855595173 /nfs/dbraw/zinc/59/51/73/855595173.db2.gz LZBHGNWROLIKOM-BBRMVZONSA-N 2 0 365.503 0.707 20 0 FCADRP O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219268221 855610438 /nfs/dbraw/zinc/61/04/38/855610438.db2.gz CCOIQVHCDHCNIE-NSHDSACASA-N 2 0 363.361 0.728 20 0 FCADRP CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652131 855756251 /nfs/dbraw/zinc/75/62/51/855756251.db2.gz BRRQABUVGGJQFG-SJORKVTESA-N 2 0 351.495 0.800 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219736932 855792857 /nfs/dbraw/zinc/79/28/57/855792857.db2.gz LCYQQFQENITMRW-JKSUJKDBSA-N 2 0 364.515 0.579 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796701 855816814 /nfs/dbraw/zinc/81/68/14/855816814.db2.gz MSWMEEHZXMLHCS-ZACQAIPSSA-N 2 0 357.495 0.074 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796697 855817714 /nfs/dbraw/zinc/81/77/14/855817714.db2.gz MROCUGQQDHJBSK-SQNIBIBYSA-N 2 0 353.507 0.981 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813390 855828379 /nfs/dbraw/zinc/82/83/79/855828379.db2.gz RUGJFTUTDYACGL-NOLJZWGESA-N 2 0 357.376 0.927 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823326 855831829 /nfs/dbraw/zinc/83/18/29/855831829.db2.gz PFRWZJJPTRXCLQ-KGLIPLIRSA-N 3 0 350.488 0.461 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825558 855833010 /nfs/dbraw/zinc/83/30/10/855833010.db2.gz KZRFCXUDDDRQKY-LSDHHAIUSA-N 2 0 358.467 0.695 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c2ccsc2)C1 ZINC001219831407 855835917 /nfs/dbraw/zinc/83/59/17/855835917.db2.gz JSIYYZOYUSJCTI-OVYGPGRDSA-N 2 0 364.515 0.705 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1ccc(Br)cc1 ZINC001219831197 855835933 /nfs/dbraw/zinc/83/59/33/855835933.db2.gz AYKAUXMAVCBNES-RUZUBIRVSA-N 2 0 354.248 0.942 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)Cc1cccs1 ZINC001219835186 855838117 /nfs/dbraw/zinc/83/81/17/855838117.db2.gz YRWQZYYPQYKTRR-ZQIUZPCESA-N 2 0 353.488 0.519 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccsc2)C1 ZINC001219854288 855847056 /nfs/dbraw/zinc/84/70/56/855847056.db2.gz HCHVKSXLZYSBCC-NPJQDHAYSA-N 2 0 350.488 0.315 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219922742 855879761 /nfs/dbraw/zinc/87/97/61/855879761.db2.gz DTNDMEMYHGJSJX-UAGQMJEPSA-N 2 0 353.507 0.837 20 0 FCADRP COC(=O)C1(NC(=O)C[C@H](O)[C@@H]([NH3+])CC2CCCCC2)CC[NH2+]CC1 ZINC001220001179 855912903 /nfs/dbraw/zinc/91/29/03/855912903.db2.gz KMXQQGQEDAMIFU-GJZGRUSLSA-N 2 0 355.479 0.447 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220251954 856029914 /nfs/dbraw/zinc/02/99/14/856029914.db2.gz KLNCSIYXMVUZQY-PMPSAXMXSA-N 3 0 353.511 0.034 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310764 856059249 /nfs/dbraw/zinc/05/92/49/856059249.db2.gz GAYGNHMSLDSNDN-GFCCVEGCSA-N 2 0 351.451 0.442 20 0 FCADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001220318939 856063964 /nfs/dbraw/zinc/06/39/64/856063964.db2.gz BZZJTZCLHAQWII-MLGOLLRUSA-N 2 0 351.476 0.194 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359420 856082060 /nfs/dbraw/zinc/08/20/60/856082060.db2.gz LOVUTDNIAOSSTB-VKJFTORMSA-N 2 0 359.486 0.787 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359100 856082266 /nfs/dbraw/zinc/08/22/66/856082266.db2.gz AHTREFFHHZJBKQ-IXDOHACOSA-N 2 0 353.507 0.695 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387939 856102096 /nfs/dbraw/zinc/10/20/96/856102096.db2.gz VRIWYWOMYNHIKT-ZACQAIPSSA-N 2 0 357.495 0.075 20 0 FCADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501763 856156902 /nfs/dbraw/zinc/15/69/02/856156902.db2.gz UDDUJHOGRXILQB-GJZGRUSLSA-N 2 0 351.472 0.217 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001220519298 856163975 /nfs/dbraw/zinc/16/39/75/856163975.db2.gz JKHPJHQATNHWRV-HZPDHXFCSA-N 2 0 370.519 0.320 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)c1ccc(Br)cc1 ZINC001220606912 856202715 /nfs/dbraw/zinc/20/27/15/856202715.db2.gz GVWNWKLGWFOURF-QJPTWQEYSA-N 2 0 353.220 0.539 20 0 FCADRP [NH3+]CCNC(=O)/C=C/C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608764 856204159 /nfs/dbraw/zinc/20/41/59/856204159.db2.gz YDFKTSRBBWFTTP-FYJFLYSWSA-N 2 0 355.236 0.196 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(Br)cc1 ZINC001220608171 856204788 /nfs/dbraw/zinc/20/47/88/856204788.db2.gz RWEXYLBLGDIFDY-IVMMDQJWSA-N 3 0 367.291 0.764 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608233 856204936 /nfs/dbraw/zinc/20/49/36/856204936.db2.gz SNCUIOZINWXEBU-KBPBESRZSA-N 2 0 366.263 0.869 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)CC1 ZINC001220638133 856214977 /nfs/dbraw/zinc/21/49/77/856214977.db2.gz TUPXPAVCZDDUSP-SJORKVTESA-N 2 0 367.515 0.563 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)CC(C)(C)CC[NH3+] ZINC001220763437 856286900 /nfs/dbraw/zinc/28/69/00/856286900.db2.gz BUKXZYXNNQVMMN-LSDHHAIUSA-N 2 0 373.563 0.918 20 0 FCADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)(C1)CCC2 ZINC001220777468 856294318 /nfs/dbraw/zinc/29/43/18/856294318.db2.gz RVQGNKBKSQLUNR-XOKHGSTOSA-N 2 0 355.504 0.321 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800698 856306658 /nfs/dbraw/zinc/30/66/58/856306658.db2.gz UFCMLDBRRINPRL-YNEHKIRRSA-N 3 0 364.412 0.096 20 0 FCADRP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220799828 856306794 /nfs/dbraw/zinc/30/67/94/856306794.db2.gz HKHDZLNHYLASCK-GJZGRUSLSA-N 2 0 365.861 0.739 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825663 856325952 /nfs/dbraw/zinc/32/59/52/856325952.db2.gz ABSKJIWOYDXLFP-SQNIBIBYSA-N 2 0 355.523 0.821 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871214 856350437 /nfs/dbraw/zinc/35/04/37/856350437.db2.gz VKOGCFIMJOZXQC-UHFFFAOYSA-N 2 0 357.256 0.404 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898459 856362938 /nfs/dbraw/zinc/36/29/38/856362938.db2.gz KSSSPLCANKWWPV-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898460 856363556 /nfs/dbraw/zinc/36/35/56/856363556.db2.gz KSSSPLCANKWWPV-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001220902795 856366580 /nfs/dbraw/zinc/36/65/80/856366580.db2.gz AGGWZNFDYGNZCK-MRXNPFEDSA-N 2 0 365.499 0.313 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920715 856374150 /nfs/dbraw/zinc/37/41/50/856374150.db2.gz KXZRRXBJWPBELJ-FZMZJTMJSA-N 2 0 354.451 0.176 20 0 FCADRP CN(C)C(=O)CN1CCC[C@@]2(CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001279247116 862789424 /nfs/dbraw/zinc/78/94/24/862789424.db2.gz QVDVALNSOSVLLQ-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220970621 856400007 /nfs/dbraw/zinc/40/00/07/856400007.db2.gz HENRLBWSBBUDIN-ZDUSSCGKSA-N 2 0 354.401 0.605 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220994616 856413700 /nfs/dbraw/zinc/41/37/00/856413700.db2.gz ZAOXPLDQTCJGPC-MSOLQXFVSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221056606 856438086 /nfs/dbraw/zinc/43/80/86/856438086.db2.gz VOIDBJQNXPATSU-ULQDDVLXSA-N 3 0 350.507 0.620 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001221154207 856486497 /nfs/dbraw/zinc/48/64/97/856486497.db2.gz GXUMJDQEFPTIMN-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221155396 856488213 /nfs/dbraw/zinc/48/82/13/856488213.db2.gz LBLOJZYCFQEGQG-INIZCTEOSA-N 2 0 368.503 0.689 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221157858 856489893 /nfs/dbraw/zinc/48/98/93/856489893.db2.gz QDVPVQUZFVJUKX-UHFFFAOYSA-N 2 0 354.476 0.171 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001221158594 856489976 /nfs/dbraw/zinc/48/99/76/856489976.db2.gz NUTTVBYMQTWULQ-KSZLIROESA-N 2 0 353.507 0.983 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCOc2c(F)cc(F)cc21 ZINC001221260091 856532546 /nfs/dbraw/zinc/53/25/46/856532546.db2.gz GVVYJSIPFNKJHA-LSDHHAIUSA-N 2 0 354.401 0.655 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001221272188 856534912 /nfs/dbraw/zinc/53/49/12/856534912.db2.gz YKGPSHNFVVEXBA-LFUZPPSTSA-N 3 0 362.458 0.458 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)c1ccccc1 ZINC001221271965 856534958 /nfs/dbraw/zinc/53/49/58/856534958.db2.gz PLMHDLQGQPSWPY-LFUZPPSTSA-N 2 0 361.430 0.942 20 0 FCADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1 ZINC001221366538 856555575 /nfs/dbraw/zinc/55/55/75/856555575.db2.gz PIGXZXIXBNDAOM-HOTGVXAUSA-N 2 0 351.447 0.682 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552905 856604611 /nfs/dbraw/zinc/60/46/11/856604611.db2.gz JLXAMFIIJOQRPI-BRWVUGGUSA-N 2 0 353.507 0.791 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001221587828 856614016 /nfs/dbraw/zinc/61/40/16/856614016.db2.gz JQGSOXXASNFPAA-OWCLPIDISA-N 2 0 352.458 0.491 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221711004 856660003 /nfs/dbraw/zinc/66/00/03/856660003.db2.gz UBRIYJOWKSYPPV-KURKYZTESA-N 2 0 351.491 0.402 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221791596 856685816 /nfs/dbraw/zinc/68/58/16/856685816.db2.gz UPYSFNIMNMNDNQ-MGPQQGTHSA-N 2 0 367.412 0.411 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910580 856730851 /nfs/dbraw/zinc/73/08/51/856730851.db2.gz KMOZWQRFMZSZEP-FGTMMUONSA-N 2 0 353.507 0.647 20 0 FCADRP O=C(N1C[C@H]2CC[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949899 856746324 /nfs/dbraw/zinc/74/63/24/856746324.db2.gz MFTLORWWQPUOMS-HZSPNIEDSA-N 2 0 361.408 0.928 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001221968518 856752595 /nfs/dbraw/zinc/75/25/95/856752595.db2.gz QWSNBRAMPHQCPZ-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221973676 856754356 /nfs/dbraw/zinc/75/43/56/856754356.db2.gz JGMVAMJZQNICAJ-KZNAEPCWSA-N 2 0 355.523 0.894 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018215 856768596 /nfs/dbraw/zinc/76/85/96/856768596.db2.gz RWCWRCYYAWDPPL-RCCFBDPRSA-N 2 0 353.507 0.914 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001222017953 856768676 /nfs/dbraw/zinc/76/86/76/856768676.db2.gz DYSLZLFELYRKTG-KZNAEPCWSA-N 2 0 351.491 0.811 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892488 856880564 /nfs/dbraw/zinc/88/05/64/856880564.db2.gz QBCASXAOORVBOH-UWWQBHOKSA-N 2 0 350.507 0.774 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)CC1 ZINC001223737604 856941462 /nfs/dbraw/zinc/94/14/62/856941462.db2.gz QPYQMHHWAPLTCQ-MSOLQXFVSA-N 2 0 353.507 0.650 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC001223916251 856951257 /nfs/dbraw/zinc/95/12/57/856951257.db2.gz CQBKXLCZWVWDOJ-KSZLIROESA-N 2 0 353.507 0.914 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028776 857138258 /nfs/dbraw/zinc/13/82/58/857138258.db2.gz MRAWENCJGZIXHB-BRWVUGGUSA-N 2 0 353.507 0.887 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)C12CCC[NH+](CCC1)C2 ZINC001227028615 857138619 /nfs/dbraw/zinc/13/86/19/857138619.db2.gz JMGOGZCLOXLZJI-IAGOWNOFSA-N 2 0 353.507 0.888 20 0 FCADRP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354330 857156041 /nfs/dbraw/zinc/15/60/41/857156041.db2.gz ARISWFSHGZLJDW-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001227899619 857183340 /nfs/dbraw/zinc/18/33/40/857183340.db2.gz AKJLNISBHVWQQQ-CHWSQXEVSA-N 2 0 353.467 0.073 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)CC1 ZINC001228239368 857198122 /nfs/dbraw/zinc/19/81/22/857198122.db2.gz QPFBGMHFZJSMGK-HZPDHXFCSA-N 2 0 350.507 0.871 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228270228 857199063 /nfs/dbraw/zinc/19/90/63/857199063.db2.gz OUGMTCWATUNEER-MGPQQGTHSA-N 2 0 355.483 0.189 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001228603687 857218581 /nfs/dbraw/zinc/21/85/81/857218581.db2.gz RPIBDHRSEPWSRV-USXIJHARSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229229919 857259956 /nfs/dbraw/zinc/25/99/56/857259956.db2.gz DTCYVMYOJLLSSK-HUUCEWRRSA-N 2 0 362.540 0.237 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389129 857267598 /nfs/dbraw/zinc/26/75/98/857267598.db2.gz JUNLRSLVJDZJOK-DJIMGWMZSA-N 2 0 357.495 0.122 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229390087 857268226 /nfs/dbraw/zinc/26/82/26/857268226.db2.gz YFVGQEKSPCXDIE-FVQBIDKESA-N 2 0 354.495 0.249 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC)[NH+](C)C ZINC001229745738 857285277 /nfs/dbraw/zinc/28/52/77/857285277.db2.gz ABKRUTAOYLDZTB-KFWWJZLASA-N 2 0 362.540 0.283 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001229852491 857290460 /nfs/dbraw/zinc/29/04/60/857290460.db2.gz JUTAXCKMZMTBQZ-ZIAGYGMSSA-N 2 0 352.483 0.357 20 0 FCADRP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001230141584 857306677 /nfs/dbraw/zinc/30/66/77/857306677.db2.gz PVUSQEQWKGQHKM-HZPDHXFCSA-N 2 0 371.547 0.924 20 0 FCADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(NS(C)(=O)=O)cc2)C1 ZINC001233268822 857379783 /nfs/dbraw/zinc/37/97/83/857379783.db2.gz AXERBQQHHVLZJM-MRXNPFEDSA-N 2 0 368.503 0.700 20 0 FCADRP OC[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235442266 857424153 /nfs/dbraw/zinc/42/41/53/857424153.db2.gz KPYXMXVPMZEWRJ-HNNXBMFYSA-N 2 0 369.307 0.625 20 0 FCADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)C[N@H+](CCCC[NH3+])C2 ZINC001235555242 857427209 /nfs/dbraw/zinc/42/72/09/857427209.db2.gz QSASSKCEXLPJGM-MRXNPFEDSA-N 2 0 351.495 0.407 20 0 FCADRP COC(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1 ZINC001235871489 857433363 /nfs/dbraw/zinc/43/33/63/857433363.db2.gz SGUMQYYGLVSYJT-UHFFFAOYSA-N 2 0 350.463 0.066 20 0 FCADRP Fc1cc(Br)cnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870743 857433437 /nfs/dbraw/zinc/43/34/37/857433437.db2.gz LMLZFJUGJSVLBA-UHFFFAOYSA-N 2 0 360.275 0.568 20 0 FCADRP COC(=O)c1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1OC ZINC001235873217 857433506 /nfs/dbraw/zinc/43/35/06/857433506.db2.gz AUEKYFWLWBZGLH-UHFFFAOYSA-N 2 0 350.463 0.066 20 0 FCADRP Nc1ncc(Br)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872052 857433589 /nfs/dbraw/zinc/43/35/89/857433589.db2.gz WKRASEIVRFSHEZ-UHFFFAOYSA-N 2 0 357.300 0.011 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(OCC(F)F)cc1 ZINC001236308320 857437630 /nfs/dbraw/zinc/43/76/30/857437630.db2.gz JBIZTLCPEFIRIM-UHFFFAOYSA-N 2 0 358.433 0.946 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1csc(Br)n1 ZINC001236308328 857438173 /nfs/dbraw/zinc/43/81/73/857438173.db2.gz JDGKUDYADONFGG-UHFFFAOYSA-N 2 0 364.313 0.521 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(Br)n1 ZINC001236309883 857438277 /nfs/dbraw/zinc/43/82/77/857438277.db2.gz RPSDRTLZJXJZMB-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP Nc1cc(Br)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310215 857439127 /nfs/dbraw/zinc/43/91/27/857439127.db2.gz FRMNAYZSCDYHMW-UHFFFAOYSA-N 2 0 372.311 0.647 20 0 FCADRP COC(=O)c1cc(F)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236313863 857439980 /nfs/dbraw/zinc/43/99/80/857439980.db2.gz BXCJIUVVXZWAAH-UHFFFAOYSA-N 2 0 354.426 0.228 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c(Cl)[nH]c2cnccc21 ZINC001236311914 857440009 /nfs/dbraw/zinc/44/00/09/857440009.db2.gz NMCNFYVQMVYOTQ-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238239524 857465071 /nfs/dbraw/zinc/46/50/71/857465071.db2.gz CTZGVQWDNCBRFC-ZDUSSCGKSA-N 2 0 369.487 0.856 20 0 FCADRP COc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243739 857466075 /nfs/dbraw/zinc/46/60/75/857466075.db2.gz VVQKIKQHVOZCTG-LLVKDONJSA-N 2 0 374.894 0.896 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001238879514 857485809 /nfs/dbraw/zinc/48/58/09/857485809.db2.gz LTRDSTBXEUXQPL-UHFFFAOYSA-N 2 0 351.476 0.869 20 0 FCADRP O[C@@H](C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1)COCC(F)(F)C(F)F ZINC001245983526 857562683 /nfs/dbraw/zinc/56/26/83/857562683.db2.gz GUXHDMBNNKBVAP-RYUDHWBXSA-N 2 0 357.392 0.728 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O)cc1 ZINC001246008043 857564001 /nfs/dbraw/zinc/56/40/01/857564001.db2.gz MPPBUYGGAWISHQ-WBVHZDCISA-N 2 0 353.463 0.188 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3COC4(C3)CC[NH2+]CC4)C[C@H](C1)[NH2+]2 ZINC001246123710 857569202 /nfs/dbraw/zinc/56/92/02/857569202.db2.gz AQWRCRMTPNTIMG-LKRQVQDUSA-N 3 0 351.491 0.807 20 0 FCADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215908 857571585 /nfs/dbraw/zinc/57/15/85/857571585.db2.gz KTPWMTCPZFBAES-ROUUACIJSA-N 3 0 361.527 0.378 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246259118 857572971 /nfs/dbraw/zinc/57/29/71/857572971.db2.gz ZGDRTCMEUNUWOF-KFWWJZLASA-N 2 0 354.520 0.141 20 0 FCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001246306172 857574233 /nfs/dbraw/zinc/57/42/33/857574233.db2.gz QAUWFLUEJDFFMN-STQMWFEESA-N 2 0 350.467 0.319 20 0 FCADRP O=S1(=O)CCCCN1c1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246432922 857579037 /nfs/dbraw/zinc/57/90/37/857579037.db2.gz FOKYHIFWHSCDHN-INIZCTEOSA-N 2 0 364.515 0.800 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N([C@H]2CCNC3(C[NH2+]C3)C2)S(C)(=O)=O)c(F)c1 ZINC001246465860 857581743 /nfs/dbraw/zinc/58/17/43/857581743.db2.gz OUMMBYZJRXAAEB-PWSUYJOCSA-N 2 0 374.457 0.845 20 0 FCADRP CC[C@@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC ZINC001246513759 857583413 /nfs/dbraw/zinc/58/34/13/857583413.db2.gz JQQURFMLTDHQEF-RDBSUJKOSA-N 2 0 356.515 0.283 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CO1 ZINC001246518741 857583427 /nfs/dbraw/zinc/58/34/27/857583427.db2.gz ISCMXEDSFLWDOV-JYJNAYRXSA-N 2 0 355.479 0.807 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[C@@]3(C2)C[NH2+]CCC3(F)F)C[NH2+]1)N1CCSC1 ZINC001246636958 857587184 /nfs/dbraw/zinc/58/71/84/857587184.db2.gz HONNBSVUHJANJR-IPYPFGDCSA-N 2 0 360.474 0.571 20 0 FCADRP CCOC(=O)CCC(CCC(=O)OCC)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645385 857587545 /nfs/dbraw/zinc/58/75/45/857587545.db2.gz UXGCSTWZHPQKSE-GOSISDBHSA-N 2 0 355.479 0.679 20 0 FCADRP CC(C)CN1C[C@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246692720 857590553 /nfs/dbraw/zinc/59/05/53/857590553.db2.gz IAWQWZBHOGQRTP-IXDOHACOSA-N 2 0 370.563 0.462 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709496 857592632 /nfs/dbraw/zinc/59/26/32/857592632.db2.gz OTROUFKSZUSRJV-FGTAOJJYSA-N 2 0 351.491 0.902 20 0 FCADRP C[C@@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[NH2+]1 ZINC001246729504 857593233 /nfs/dbraw/zinc/59/32/33/857593233.db2.gz ORBXSHRGPQMMCC-IAGOWNOFSA-N 2 0 351.539 0.297 20 0 FCADRP COCCN1CC2(CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)[C@@H](COC)C1=O ZINC001246747706 857596897 /nfs/dbraw/zinc/59/68/97/857596897.db2.gz MNMQSJANOJUXIP-IKGGRYGDSA-N 2 0 353.507 0.960 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CCN1 ZINC001246855580 857602853 /nfs/dbraw/zinc/60/28/53/857602853.db2.gz OMDPXIURODWZHM-LDDOYCOJSA-N 2 0 353.463 0.145 20 0 FCADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246945466 857606797 /nfs/dbraw/zinc/60/67/97/857606797.db2.gz YKRDHFWEALNNCK-GOSISDBHSA-N 3 0 368.591 0.858 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCC([NH+]3CCC([NH3+])CC3)CC2)CN1 ZINC001246963192 857607570 /nfs/dbraw/zinc/60/75/70/857607570.db2.gz GVACNYBFOMWWIM-SJORKVTESA-N 2 0 352.523 0.946 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CN1 ZINC001247010940 857609739 /nfs/dbraw/zinc/60/97/39/857609739.db2.gz WWZHPJCDFUXBER-ILXRZTDVSA-N 2 0 353.463 0.145 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001249833742 857650112 /nfs/dbraw/zinc/65/01/12/857650112.db2.gz XJHMRZNFDKHVRK-IAGOWNOFSA-N 2 0 363.531 0.793 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253142131 857863364 /nfs/dbraw/zinc/86/33/64/857863364.db2.gz HJVWNVSELNQMLI-GOSISDBHSA-N 2 0 353.507 0.386 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)N4CCOCC4)CC3)[C@@H]2C1 ZINC001279594450 862972064 /nfs/dbraw/zinc/97/20/64/862972064.db2.gz XIZXVTGDKZNNPB-HZPDHXFCSA-N 2 0 350.507 0.239 20 0 FCADRP CS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254857086 857988950 /nfs/dbraw/zinc/98/89/50/857988950.db2.gz NRFUJMQOJNEKQW-HZMVEIRTSA-N 2 0 357.520 0.499 20 0 FCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCSC1 ZINC001255272485 858006293 /nfs/dbraw/zinc/00/62/93/858006293.db2.gz YVTOSBOTEIEKKL-MRXNPFEDSA-N 2 0 366.524 0.123 20 0 FCADRP C[N@@H+]1CC[C@@H](N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255434277 858010658 /nfs/dbraw/zinc/01/06/58/858010658.db2.gz PJLHIZUZGFLXIZ-HLLBOEOZSA-N 2 0 357.520 0.786 20 0 FCADRP CN(C)S(=O)(=O)N1CCC2(C1)CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001279609191 862976314 /nfs/dbraw/zinc/97/63/14/862976314.db2.gz KEWXDXQLHZDCQL-UHFFFAOYSA-N 2 0 358.552 0.923 20 0 FCADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CCC[C@@H](C2)[NH+]3C)O1 ZINC001255677961 858028419 /nfs/dbraw/zinc/02/84/19/858028419.db2.gz RXRCSVJKDWNFJB-PQURQNOXSA-N 2 0 351.491 0.996 20 0 FCADRP CC[NH+](CC)CC[C@@H](C)N(Cc1cnc2n1CC[NH2+]CC2)S(C)(=O)=O ZINC001255963946 858042785 /nfs/dbraw/zinc/04/27/85/858042785.db2.gz UPPLMJNXDMUUEX-OAHLLOKOSA-N 2 0 371.551 0.911 20 0 FCADRP Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)[N@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001279614770 862979391 /nfs/dbraw/zinc/97/93/91/862979391.db2.gz CUMLUHPREKVPPI-GJZGRUSLSA-N 2 0 353.492 0.115 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C1CC[NH+](C2CC2)CC1 ZINC001256075877 858052179 /nfs/dbraw/zinc/05/21/79/858052179.db2.gz UCDMDOQSGCZPBL-UHFFFAOYSA-N 2 0 354.476 0.709 20 0 FCADRP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CCC([NH+]3CCOCC3)CC2)O1 ZINC001256690587 858095452 /nfs/dbraw/zinc/09/54/52/858095452.db2.gz JBYQMWRHZIGAIX-ILEACXBISA-N 2 0 351.491 0.950 20 0 FCADRP C[C@H](Cc1ccncc1)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001256729961 858097527 /nfs/dbraw/zinc/09/75/27/858097527.db2.gz PPVCCMJVYBRNDQ-QGZVFWFLSA-N 2 0 355.479 0.627 20 0 FCADRP CCC[NH+]1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001258773307 858210325 /nfs/dbraw/zinc/21/03/25/858210325.db2.gz GPAOGQBHONUWGW-UHFFFAOYSA-N 2 0 369.535 0.665 20 0 FCADRP COCC1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[NH2+]CC1 ZINC001261456929 858553712 /nfs/dbraw/zinc/55/37/12/858553712.db2.gz QITLCGOLVBTDRO-UHFFFAOYSA-N 2 0 352.523 0.677 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261523198 858578734 /nfs/dbraw/zinc/57/87/34/858578734.db2.gz QEBJGELSPRVULI-FCEWJHQRSA-N 2 0 350.507 0.955 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12C[NH+](CCN1CCOCC1)C2 ZINC001279772849 863054681 /nfs/dbraw/zinc/05/46/81/863054681.db2.gz UOBYRSGJFMIWLH-KRWDZBQOSA-N 2 0 352.523 0.441 20 0 FCADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046810 858765801 /nfs/dbraw/zinc/76/58/01/858765801.db2.gz ZEZZYAQWMYRVHC-MSOLQXFVSA-N 2 0 352.523 0.807 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001262073606 858773280 /nfs/dbraw/zinc/77/32/80/858773280.db2.gz XGKUYXNWEKDHQK-CTYIDZIISA-N 2 0 350.438 0.569 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001262073272 858773328 /nfs/dbraw/zinc/77/33/28/858773328.db2.gz MPBOWCFUMIUNKI-CALCHBBNSA-N 2 0 350.507 0.955 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591078 859013055 /nfs/dbraw/zinc/01/30/55/859013055.db2.gz FJDSPJJKMYEPTK-JKSUJKDBSA-N 2 0 354.495 0.291 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001263103725 859103270 /nfs/dbraw/zinc/10/32/70/859103270.db2.gz JSYNFHAHZAACER-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264098568 859311031 /nfs/dbraw/zinc/31/10/31/859311031.db2.gz PEQDEIFMOUQXHH-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001264650188 859413558 /nfs/dbraw/zinc/41/35/58/859413558.db2.gz IGGYMXZBBXJONL-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)NC(=O)NCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001266592302 859484855 /nfs/dbraw/zinc/48/48/55/859484855.db2.gz OIBBMWGCSZLYAQ-GDBMZVCRSA-N 2 0 353.511 0.615 20 0 FCADRP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269991982 859624263 /nfs/dbraw/zinc/62/42/63/859624263.db2.gz DHUUUSSKBAXHAC-HRCADAONSA-N 2 0 353.511 0.940 20 0 FCADRP CCCC[C@H](CC)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H](C1)O2 ZINC001269991929 859624285 /nfs/dbraw/zinc/62/42/85/859624285.db2.gz CSHZEFZATHAXOI-HRCADAONSA-N 2 0 353.511 0.940 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCCC3)C2)C1=O ZINC001270165355 859673220 /nfs/dbraw/zinc/67/32/20/859673220.db2.gz HYNUNMOVHAYHSN-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489663 859770341 /nfs/dbraw/zinc/77/03/41/859770341.db2.gz IDHCUFDNLBAODA-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001271138351 859903656 /nfs/dbraw/zinc/90/36/56/859903656.db2.gz DDNRIKMIDMPPOT-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001271658692 859988503 /nfs/dbraw/zinc/98/85/03/859988503.db2.gz TZPVTWBFJPVMPD-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001271658691 859988794 /nfs/dbraw/zinc/98/87/94/859988794.db2.gz TZPVTWBFJPVMPD-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822603 860271820 /nfs/dbraw/zinc/27/18/20/860271820.db2.gz ZXPZISCNDAXOGL-LPHOPBHVSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001272825018 860273390 /nfs/dbraw/zinc/27/33/90/860273390.db2.gz JJUCBRMWQASVML-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)C3([NH+](C)C)CC3)C2)C1=O ZINC001272903716 860294533 /nfs/dbraw/zinc/29/45/33/860294533.db2.gz AMCWRLCEKVDDPE-QGZVFWFLSA-N 2 0 350.463 0.010 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)[NH+](C)C ZINC001273183570 860402781 /nfs/dbraw/zinc/40/27/81/860402781.db2.gz WRLNBNGRKKHRBD-KBRIMQKVSA-N 2 0 360.449 0.235 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001273787651 860599265 /nfs/dbraw/zinc/59/92/65/860599265.db2.gz AVXNMXJUSMCCIN-VQIMIIECSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC001274158132 860694600 /nfs/dbraw/zinc/69/46/00/860694600.db2.gz UPRACMKARCTDGT-ZFWWWQNUSA-N 2 0 368.547 0.481 20 0 FCADRP CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203365 860706813 /nfs/dbraw/zinc/70/68/13/860706813.db2.gz MKORWCJRZXYMLF-GOSISDBHSA-N 2 0 352.523 0.319 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1)[NH+](C)C ZINC001275223014 860993355 /nfs/dbraw/zinc/99/33/55/860993355.db2.gz VJDNGUWGIVNKFG-QGZVFWFLSA-N 2 0 352.523 0.975 20 0 FCADRP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275557006 861128748 /nfs/dbraw/zinc/12/87/48/861128748.db2.gz RUNRVRYFPCFEBZ-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP O=C1N(CCN2CCOCC2)CC[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275736823 861180165 /nfs/dbraw/zinc/18/01/65/861180165.db2.gz HNMJGLMICXIAOH-IBGZPJMESA-N 2 0 350.507 0.243 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CCSC23C[NH+](C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001279900315 863125095 /nfs/dbraw/zinc/12/50/95/863125095.db2.gz PVLRPDPXWXTSFD-LSDHHAIUSA-N 2 0 366.531 0.283 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914416 863134333 /nfs/dbraw/zinc/13/43/33/863134333.db2.gz QRLQLTRZKIEMIG-VQIMIIECSA-N 2 0 350.507 0.777 20 0 FCADRP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280176000 863308662 /nfs/dbraw/zinc/30/86/62/863308662.db2.gz HEPQWZMVMVHRQL-HOTGVXAUSA-N 2 0 354.564 0.814 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246458 863358241 /nfs/dbraw/zinc/35/82/41/863358241.db2.gz ZCPCMZMLMZTWPC-FQEVSTJZSA-N 3 0 351.583 0.973 20 0 FCADRP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259062 863366305 /nfs/dbraw/zinc/36/63/05/863366305.db2.gz VODKAOHTIQIKHI-TVFCKZIOSA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21)[NH+](C)C ZINC001284176720 864544116 /nfs/dbraw/zinc/54/41/16/864544116.db2.gz SRKHRRZRLRADGK-ZBURPKILSA-N 2 0 350.507 0.486 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001296435886 865968142 /nfs/dbraw/zinc/96/81/42/865968142.db2.gz NLKJZEYMZNXAHC-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001351129562 866787596 /nfs/dbraw/zinc/78/75/96/866787596.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 0 355.527 0.421 20 0 FCADRP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC001351377026 866845024 /nfs/dbraw/zinc/84/50/24/866845024.db2.gz YKUPYWHDOMJDAJ-MHORFTMASA-N 2 0 374.598 0.858 20 0 FCADRP CC1(C)CN(CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCO1 ZINC001353311144 867392869 /nfs/dbraw/zinc/39/28/69/867392869.db2.gz NVIYIOCNYRNUMH-OAHLLOKOSA-N 2 0 354.495 0.555 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC001353519409 867442247 /nfs/dbraw/zinc/44/22/47/867442247.db2.gz XSJIFALDFDZGBC-XUWVNRHRSA-N 2 0 351.495 0.546 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C1CCCCCC1 ZINC001353612298 867455290 /nfs/dbraw/zinc/45/52/90/867455290.db2.gz AWUQGIVPWAUFQR-IRXDYDNUSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879783 867684171 /nfs/dbraw/zinc/68/41/71/867684171.db2.gz OCXDVPHXMOSHOY-MYYSRTQBSA-N 2 0 352.504 0.691 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(C)n1C ZINC001318832226 867760365 /nfs/dbraw/zinc/76/03/65/867760365.db2.gz AOUPIWNOZNLLRQ-OAHLLOKOSA-N 2 0 351.499 0.681 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320868584 868302916 /nfs/dbraw/zinc/30/29/16/868302916.db2.gz GAZYJSYWQKJZQU-CQSZACIVSA-N 2 0 350.467 0.183 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001321343245 868437611 /nfs/dbraw/zinc/43/76/11/868437611.db2.gz APKQGCPSYWLKEO-KBPBESRZSA-N 2 0 352.504 0.877 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001321610311 868538943 /nfs/dbraw/zinc/53/89/43/868538943.db2.gz ADTNHYDCQAGFKQ-SFHVURJKSA-N 2 0 370.563 0.873 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519839 868842028 /nfs/dbraw/zinc/84/20/28/868842028.db2.gz HUBALMSRBLUZGF-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC001325137389 869791258 /nfs/dbraw/zinc/79/12/58/869791258.db2.gz RAVILBVFZPLGMR-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)CC[NH2+]CC2 ZINC001326139880 870180840 /nfs/dbraw/zinc/18/08/40/870180840.db2.gz CSKQHIOTBHMDFD-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]CCc1nc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cs1 ZINC001326307287 870249925 /nfs/dbraw/zinc/24/99/25/870249925.db2.gz XBZJSEUOQIZLRV-QWHCGFSZSA-N 2 0 365.503 0.365 20 0 FCADRP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1OCC(N)=O ZINC001326503873 870353534 /nfs/dbraw/zinc/35/35/34/870353534.db2.gz WRYKLXQXXVJJPO-UHFFFAOYSA-N 2 0 351.447 0.889 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001343896602 870653957 /nfs/dbraw/zinc/65/39/57/870653957.db2.gz FBWJNYUFQSABSD-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC001344769280 871017382 /nfs/dbraw/zinc/01/73/82/871017382.db2.gz CRBMGNXDISZQLK-HNNXBMFYSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592363 871530073 /nfs/dbraw/zinc/53/00/73/871530073.db2.gz SCPPQRLOTPKTFX-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001345964225 871578807 /nfs/dbraw/zinc/57/88/07/871578807.db2.gz CPCLXJGALBWRMY-BDXSIMOUSA-N 2 0 352.523 0.628 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC001346056206 871623672 /nfs/dbraw/zinc/62/36/72/871623672.db2.gz KRYXTWUAZHLIQW-IYBDPMFKSA-N 2 0 350.507 0.905 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329023358 871780801 /nfs/dbraw/zinc/78/08/01/871780801.db2.gz KDSUYSNTIFYAMV-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC001329058679 871801206 /nfs/dbraw/zinc/80/12/06/871801206.db2.gz BUVIBSADTOLHEB-ZYHUDNBSSA-N 2 0 350.385 0.183 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC001346570174 871911198 /nfs/dbraw/zinc/91/11/98/871911198.db2.gz PMVMTCWQLWGKOX-IRXDYDNUSA-N 2 0 353.511 0.337 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606329 871928648 /nfs/dbraw/zinc/92/86/48/871928648.db2.gz KKTFQOMPHSDIPW-JYJNAYRXSA-N 2 0 355.527 0.107 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC001329434153 872024031 /nfs/dbraw/zinc/02/40/31/872024031.db2.gz PQAMFVKQXOJARH-WCBMZHEXSA-N 2 0 362.356 0.310 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001329744063 872222111 /nfs/dbraw/zinc/22/21/11/872222111.db2.gz CHQJLJPTUNYUPM-QOKNQOGYSA-N 2 0 350.507 0.763 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001347335758 872281855 /nfs/dbraw/zinc/28/18/55/872281855.db2.gz NEYDPTNFQAKZGD-DOTOQJQBSA-N 2 0 355.527 0.421 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001330237843 872538156 /nfs/dbraw/zinc/53/81/56/872538156.db2.gz ULDCRCPQJLDFBQ-HOTGVXAUSA-N 2 0 351.495 0.454 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1(C)C ZINC001331056129 872937816 /nfs/dbraw/zinc/93/78/16/872937816.db2.gz IPDDILVBUSMXFY-OAHLLOKOSA-N 2 0 356.511 0.212 20 0 FCADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)ccc1N1CC[NH+](C)CC1 ZINC001331322727 873060839 /nfs/dbraw/zinc/06/08/39/873060839.db2.gz RRRPOVHTVSGCSK-HNNXBMFYSA-N 2 0 368.503 0.447 20 0 FCADRP CCN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001331904634 873298233 /nfs/dbraw/zinc/29/82/33/873298233.db2.gz HEQVSWGGXCPEPS-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP [NH3+]CCCCCCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332283283 873434898 /nfs/dbraw/zinc/43/48/98/873434898.db2.gz WQSXMAFDYGZEIQ-HZPDHXFCSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574858 873563301 /nfs/dbraw/zinc/56/33/01/873563301.db2.gz WYIWEPVZGWFKSX-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C[NH3+] ZINC001332976592 873743335 /nfs/dbraw/zinc/74/33/35/873743335.db2.gz QMVBFDDIDNTWFP-GMTAPVOTSA-N 2 0 358.393 0.186 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC001333216191 873858277 /nfs/dbraw/zinc/85/82/77/873858277.db2.gz SJHAOHOKKDFLBH-AWEZNQCLSA-N 2 0 354.520 0.414 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001333359054 873923111 /nfs/dbraw/zinc/92/31/11/873923111.db2.gz CTHGIBPVVAXTAN-MJBXVCDLSA-N 2 0 350.488 0.855 20 0 FCADRP Cn1cc(C[NH2+]CCOCC[NH+](C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870135 947351075 /nfs/dbraw/zinc/35/10/75/947351075.db2.gz BAFMSKFSLGNUJR-UHFFFAOYSA-N 2 0 370.461 0.935 20 0 FCADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926127 948988764 /nfs/dbraw/zinc/98/87/64/948988764.db2.gz JACNLQSTEZYNPC-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926849 949027002 /nfs/dbraw/zinc/02/70/02/949027002.db2.gz YTULKASEMVFJHW-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574692936 949046632 /nfs/dbraw/zinc/04/66/32/949046632.db2.gz DMDCCPCIWXMZEZ-WFASDCNBSA-N 2 0 360.466 0.529 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263582 949404482 /nfs/dbraw/zinc/40/44/82/949404482.db2.gz IEZSVGHHRLOWNO-DYVFJYSZSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574714071 949619621 /nfs/dbraw/zinc/61/96/21/949619621.db2.gz ZZZHUMGIFPNVNM-SWLSCSKDSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717480 949739338 /nfs/dbraw/zinc/73/93/38/949739338.db2.gz WCNVCQFDCHAPHK-STQMWFEESA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574722518 949837396 /nfs/dbraw/zinc/83/73/96/949837396.db2.gz UCBOVRYRSUCXLJ-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574157673 950250285 /nfs/dbraw/zinc/25/02/85/950250285.db2.gz GHCXNSSKQWBXLW-CYBMUJFWSA-N 2 0 360.466 0.578 20 0 FCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C(C)C ZINC001574159617 950312238 /nfs/dbraw/zinc/31/22/38/950312238.db2.gz WSHDSVIVTFYIOU-AWEZNQCLSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199265 950418216 /nfs/dbraw/zinc/41/82/16/950418216.db2.gz YATITKUTTGKQOG-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203698 950448025 /nfs/dbraw/zinc/44/80/25/950448025.db2.gz IMQWERSEVMWCFF-ZBFHGGJFSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576204997 950486571 /nfs/dbraw/zinc/48/65/71/950486571.db2.gz FNHQLHORXIEXEQ-KBPBESRZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204982 950488618 /nfs/dbraw/zinc/48/86/18/950488618.db2.gz FCKJVCWMTCPNBB-NWDGAFQWSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205665 950532242 /nfs/dbraw/zinc/53/22/42/950532242.db2.gz MFLLBBJSOFCTBN-AWEZNQCLSA-N 2 0 369.473 0.757 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207123 950590697 /nfs/dbraw/zinc/59/06/97/950590697.db2.gz CQHHOVIPFQGXFF-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576209236 950625810 /nfs/dbraw/zinc/62/58/10/950625810.db2.gz ZSPAFPUMPKBQOL-UONOGXRCSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575923298 950658970 /nfs/dbraw/zinc/65/89/70/950658970.db2.gz QMRUSHFFCKFZHN-SWLSCSKDSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214271 950666510 /nfs/dbraw/zinc/66/65/10/950666510.db2.gz OEQZMADJEGBYRZ-JHJVBQTASA-N 2 0 356.434 0.085 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575093023 951796544 /nfs/dbraw/zinc/79/65/44/951796544.db2.gz HDDZVMSGJDJOPP-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096143 951818671 /nfs/dbraw/zinc/81/86/71/951818671.db2.gz ZMQXDNXNKIHHTM-XJKSGUPXSA-N 2 0 357.462 0.803 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078157 952125827 /nfs/dbraw/zinc/12/58/27/952125827.db2.gz MNVCTSLMAJSFKE-ZDUSSCGKSA-N 2 0 370.461 0.489 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575145037 952177406 /nfs/dbraw/zinc/17/74/06/952177406.db2.gz OMLFNJWTYURQIB-GFCCVEGCSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571105364 952394270 /nfs/dbraw/zinc/39/42/70/952394270.db2.gz OOEYAOOAJANEKJ-HUUCEWRRSA-N 2 0 373.436 0.648 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1=O ZINC000291900615 214064243 /nfs/dbraw/zinc/06/42/43/214064243.db2.gz PVOZGGKYHHECMI-NVXWUHKLSA-N 2 0 364.465 0.955 20 0 FCADRP COc1cc(C[NH+](C)[C@@H]2COC[C@H]2O)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000293154135 214150597 /nfs/dbraw/zinc/15/05/97/214150597.db2.gz BXJJCNMVUPHXCS-NCXUSEDFSA-N 2 0 366.458 0.078 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000294059170 214221219 /nfs/dbraw/zinc/22/12/19/214221219.db2.gz LYEPTGJVCRUERN-UHFFFAOYSA-N 2 0 371.489 0.991 20 0 FCADRP CC[C@H](C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000413462141 529605400 /nfs/dbraw/zinc/60/54/00/529605400.db2.gz WQYUYSYNGAWYMB-HUUCEWRRSA-N 2 0 356.511 0.448 20 0 FCADRP Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C(N)=O ZINC000298284321 214537308 /nfs/dbraw/zinc/53/73/08/214537308.db2.gz AEKMYJHQYGHHEE-UHFFFAOYSA-N 2 0 373.523 0.018 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961730 529797790 /nfs/dbraw/zinc/79/77/90/529797790.db2.gz IUSAIBMWFLCGDA-IDCNUPLLSA-N 2 0 360.502 0.624 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000410848228 529861194 /nfs/dbraw/zinc/86/11/94/529861194.db2.gz YGHUJNXJWXUAIQ-ZWKOTPCHSA-N 2 0 360.502 0.649 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410492079 529865227 /nfs/dbraw/zinc/86/52/27/529865227.db2.gz INOWZVSRNPYHSC-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410911178 529900914 /nfs/dbraw/zinc/90/09/14/529900914.db2.gz CHHOLOKTHBEGFV-INIZCTEOSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410563756 529901023 /nfs/dbraw/zinc/90/10/23/529901023.db2.gz MTFFZNYFRASMQK-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CNC(=O)N[C@@H]1CC[NH+](CCC(C)CC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000411541070 529888939 /nfs/dbraw/zinc/88/89/39/529888939.db2.gz HGCYLYCFWVHWCJ-HZPDHXFCSA-N 2 0 368.526 0.409 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000265509022 210153112 /nfs/dbraw/zinc/15/31/12/210153112.db2.gz FMDBYFAZRNMNMF-OAHLLOKOSA-N 2 0 363.462 0.643 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)(N2CCOCC2)CC1 ZINC000412461300 530049374 /nfs/dbraw/zinc/04/93/74/530049374.db2.gz IKBJQGDSSRVOHW-KRWDZBQOSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]C1 ZINC000331472815 215002734 /nfs/dbraw/zinc/00/27/34/215002734.db2.gz UQNDHWXYKDRRNJ-IBGZPJMESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000331570984 215016857 /nfs/dbraw/zinc/01/68/57/215016857.db2.gz VLIMJDPUXYKLDY-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331572054 215017285 /nfs/dbraw/zinc/01/72/85/215017285.db2.gz LQFOVSTVXSTWNJ-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000331587418 215019656 /nfs/dbraw/zinc/01/96/56/215019656.db2.gz MQRUXMLNFVTKMW-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000331587423 215020106 /nfs/dbraw/zinc/02/01/06/215020106.db2.gz MQRUXMLNFVTKMW-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000331600582 215021071 /nfs/dbraw/zinc/02/10/71/215021071.db2.gz OTJMSBORMHDGKF-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000331692029 215035025 /nfs/dbraw/zinc/03/50/25/215035025.db2.gz VFHSQYPCGOKYPF-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)CC1 ZINC000331756879 215043358 /nfs/dbraw/zinc/04/33/58/215043358.db2.gz CICHGKIKVGLIFY-DLBZAZTESA-N 2 0 350.507 0.907 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)CC1 ZINC000331756880 215043765 /nfs/dbraw/zinc/04/37/65/215043765.db2.gz CICHGKIKVGLIFY-IAGOWNOFSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C[C@H]1[NH3+] ZINC000331776559 215046611 /nfs/dbraw/zinc/04/66/11/215046611.db2.gz JSYHUXABEQVAHF-YYIAUSFCSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000331797951 215048842 /nfs/dbraw/zinc/04/88/42/215048842.db2.gz LSFIGPBULVUKFZ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1[NH3+] ZINC000331859546 215058645 /nfs/dbraw/zinc/05/86/45/215058645.db2.gz JSWZWNYFECTVLD-OTBWCIGPSA-N 2 0 350.507 0.951 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265114270 210059937 /nfs/dbraw/zinc/05/99/37/210059937.db2.gz SUMQPMSMIRIRCL-UHFFFAOYSA-N 2 0 360.418 0.242 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000331970178 215073027 /nfs/dbraw/zinc/07/30/27/215073027.db2.gz JGHHZZGQNUFCKA-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000332007004 215078855 /nfs/dbraw/zinc/07/88/55/215078855.db2.gz NVOBMYKGMGBEJI-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@H]2C1 ZINC000332063680 215085876 /nfs/dbraw/zinc/08/58/76/215085876.db2.gz RMYLHOSIMNXSBV-HIFRSBDPSA-N 2 0 350.507 0.964 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[NH2+]1 ZINC000332078973 215088786 /nfs/dbraw/zinc/08/87/86/215088786.db2.gz HUUFSOQWGQMUDH-HZPDHXFCSA-N 2 0 366.506 0.081 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1[NH+](C)C ZINC000332134936 215099469 /nfs/dbraw/zinc/09/94/69/215099469.db2.gz LTFFBBVNVICKRG-UXLLHSPISA-N 2 0 366.506 0.107 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000332156686 215103452 /nfs/dbraw/zinc/10/34/52/215103452.db2.gz ONTXAVCTFFVVQK-MDZRGWNJSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000332345563 215133585 /nfs/dbraw/zinc/13/35/85/215133585.db2.gz YCGXRHPOCYIJQK-LAVFITLUSA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332624578 215192370 /nfs/dbraw/zinc/19/23/70/215192370.db2.gz RUYSBHZREWRLFJ-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000333098035 215235412 /nfs/dbraw/zinc/23/54/12/215235412.db2.gz UTVOJPKERKOWPZ-UHFFFAOYSA-N 2 0 367.538 0.378 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333279524 215258403 /nfs/dbraw/zinc/25/84/03/215258403.db2.gz HIYJZYLFBVUSEY-HOCLYGCPSA-N 2 0 359.478 0.977 20 0 FCADRP CS[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1[NH+](C)C ZINC000333365832 215271546 /nfs/dbraw/zinc/27/15/46/215271546.db2.gz UIHCSXBWUILSGO-ZIAGYGMSSA-N 2 0 365.507 0.396 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643543 215304771 /nfs/dbraw/zinc/30/47/71/215304771.db2.gz IRFZFDATXSGJMT-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000333664300 215306668 /nfs/dbraw/zinc/30/66/68/215306668.db2.gz BMTINEUZPAHQIN-HZMVEIRTSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333669708 215307706 /nfs/dbraw/zinc/30/77/06/215307706.db2.gz MWQRDVKGKASGDA-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000333686007 215309235 /nfs/dbraw/zinc/30/92/35/215309235.db2.gz PGMYPCRIQYIAAV-IRXDYDNUSA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C1 ZINC000333791945 215319684 /nfs/dbraw/zinc/31/96/84/215319684.db2.gz MOCMEQFWMIOLJA-QGZVFWFLSA-N 2 0 353.511 0.175 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000333819341 215321764 /nfs/dbraw/zinc/32/17/64/215321764.db2.gz KPXJXUOONFETBQ-GOSISDBHSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333902307 215329599 /nfs/dbraw/zinc/32/95/99/215329599.db2.gz ZLRGVJDBQNUDLM-HOCLYGCPSA-N 2 0 351.495 0.513 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000333933071 215332194 /nfs/dbraw/zinc/33/21/94/215332194.db2.gz HLIFMPOSQYZSQW-HOTGVXAUSA-N 2 0 351.495 0.182 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000334131784 215347974 /nfs/dbraw/zinc/34/79/74/215347974.db2.gz UXGBWVXIUCPCSI-UHFFFAOYSA-N 2 0 367.538 0.520 20 0 FCADRP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000334117804 215345967 /nfs/dbraw/zinc/34/59/67/215345967.db2.gz IQVAZELIBRUGJA-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000334117803 215346351 /nfs/dbraw/zinc/34/63/51/215346351.db2.gz IQVAZELIBRUGJA-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000334128387 215346814 /nfs/dbraw/zinc/34/68/14/215346814.db2.gz RHZYCDJRHKATRP-SJORKVTESA-N 2 0 367.538 0.375 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360572507 215364648 /nfs/dbraw/zinc/36/46/48/215364648.db2.gz LWXHLKGFXNYGIH-LSDHHAIUSA-N 2 0 367.494 0.927 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360572505 215365939 /nfs/dbraw/zinc/36/59/39/215365939.db2.gz LWXHLKGFXNYGIH-GJZGRUSLSA-N 2 0 367.494 0.927 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000285168391 213295148 /nfs/dbraw/zinc/29/51/48/213295148.db2.gz UUHQKQGEPKLSBO-HNNXBMFYSA-N 2 0 373.501 0.934 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000285057043 213275293 /nfs/dbraw/zinc/27/52/93/213275293.db2.gz VULJGWHTFFNEMT-MRXNPFEDSA-N 2 0 350.438 0.755 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989801 213261557 /nfs/dbraw/zinc/26/15/57/213261557.db2.gz SRYNCYPKVHNCKY-CRAIPNDOSA-N 2 0 358.486 0.834 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000284814446 213228162 /nfs/dbraw/zinc/22/81/62/213228162.db2.gz LRUOMVHXRWNURT-OAHLLOKOSA-N 2 0 350.463 0.989 20 0 FCADRP CN(Cc1nccn1C)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000284715166 213204481 /nfs/dbraw/zinc/20/44/81/213204481.db2.gz XTYKNIBPCRRQTP-HNNXBMFYSA-N 2 0 361.421 0.937 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000284050283 213062937 /nfs/dbraw/zinc/06/29/37/213062937.db2.gz KFFSROSDLYCUJN-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000283819833 213012517 /nfs/dbraw/zinc/01/25/17/213012517.db2.gz YJVOKPSHKCEYRW-UHFFFAOYSA-N 2 0 361.490 0.620 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000283773001 213005904 /nfs/dbraw/zinc/00/59/04/213005904.db2.gz RSNNMWZJKQINEN-UHFFFAOYSA-N 2 0 363.462 0.197 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000411525375 237000044 /nfs/dbraw/zinc/00/00/44/237000044.db2.gz AZUYRZHISSENOD-AWEZNQCLSA-N 2 0 350.463 0.940 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230910 216094372 /nfs/dbraw/zinc/09/43/72/216094372.db2.gz LFEPFYDXPKGENH-SWLSCSKDSA-N 2 0 365.396 0.966 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC000246396475 209385018 /nfs/dbraw/zinc/38/50/18/209385018.db2.gz OUHBDUSMRZCRFJ-HUUCEWRRSA-N 2 0 359.474 0.445 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000246768416 209399454 /nfs/dbraw/zinc/39/94/54/209399454.db2.gz HZRHPKAUHSWLHJ-BBWFWOEESA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000246534051 209390916 /nfs/dbraw/zinc/39/09/16/209390916.db2.gz WWYUECQBMLDLPH-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)N1CCOCC1 ZINC000245904825 209376922 /nfs/dbraw/zinc/37/69/22/209376922.db2.gz SWRBNDVHUHVADF-ULQDDVLXSA-N 2 0 356.511 0.440 20 0 FCADRP C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N1CCN(C)CC1 ZINC000245892633 209376061 /nfs/dbraw/zinc/37/60/61/209376061.db2.gz OSYJMGLISNNTEC-BHIYHBOVSA-N 2 0 360.502 0.374 20 0 FCADRP [NH3+][C@@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000237814699 209358287 /nfs/dbraw/zinc/35/82/87/209358287.db2.gz UOMKMYYSFYATBR-LJQANCHMSA-N 2 0 367.453 0.937 20 0 FCADRP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1csc(CN)n1 ZINC000237675329 209355854 /nfs/dbraw/zinc/35/58/54/209355854.db2.gz KSBAUVCSTCGKRR-CYBMUJFWSA-N 2 0 360.487 0.937 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000237405684 209352098 /nfs/dbraw/zinc/35/20/98/209352098.db2.gz HUWILIWTDXYFIT-ZIAGYGMSSA-N 2 0 350.467 0.432 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000194931180 209329858 /nfs/dbraw/zinc/32/98/58/209329858.db2.gz QRHWGIIAGWWUTO-GASCZTMLSA-N 2 0 374.489 0.498 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190214375 209268709 /nfs/dbraw/zinc/26/87/09/209268709.db2.gz OFZNFEGQMIJBPP-AWEZNQCLSA-N 2 0 352.483 0.754 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000189927317 209263253 /nfs/dbraw/zinc/26/32/53/209263253.db2.gz OVCNHBQWOKXRRH-SCTDSRPQSA-N 2 0 362.518 0.792 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000369479641 216411879 /nfs/dbraw/zinc/41/18/79/216411879.db2.gz BGHXRJILGQFEEW-WBVHZDCISA-N 2 0 354.495 0.507 20 0 FCADRP CN(Cc1cc(=O)n(C)c(=O)n1C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188287901 209228487 /nfs/dbraw/zinc/22/84/87/209228487.db2.gz TYBRTIDLOAUNKP-FQEVSTJZSA-N 2 0 372.469 0.153 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000188358176 209227718 /nfs/dbraw/zinc/22/77/18/209227718.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 0 356.511 0.584 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1CO ZINC000276610464 212262757 /nfs/dbraw/zinc/26/27/57/212262757.db2.gz SWPSFKBKCKOKML-SJORKVTESA-N 2 0 361.490 0.864 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000187411581 209213565 /nfs/dbraw/zinc/21/35/65/209213565.db2.gz OQMSSFPZZNVNOG-SFHVURJKSA-N 2 0 364.490 0.367 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000187169358 209207473 /nfs/dbraw/zinc/20/74/73/209207473.db2.gz QWCKFOATWNAFFI-UHFFFAOYSA-N 2 0 361.490 0.835 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC000187173978 209207555 /nfs/dbraw/zinc/20/75/55/209207555.db2.gz WBROUGVIWBGUAH-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000187191981 209205584 /nfs/dbraw/zinc/20/55/84/209205584.db2.gz OBUQEHPDWFAYNV-DLBZAZTESA-N 2 0 370.538 0.830 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN(CCO)CC1 ZINC000186288963 209188432 /nfs/dbraw/zinc/18/84/32/209188432.db2.gz WALQTDHFPUSVAU-UHFFFAOYSA-N 2 0 374.485 0.400 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NOC[C@@H]1CCOC1 ZINC000276252562 212196757 /nfs/dbraw/zinc/19/67/57/212196757.db2.gz KUNLXPQIISSICA-MRXNPFEDSA-N 2 0 363.462 0.861 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275572217 212053853 /nfs/dbraw/zinc/05/38/53/212053853.db2.gz ICUPLPKFFXWMCM-UHFFFAOYSA-N 2 0 364.490 0.814 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548754 212049015 /nfs/dbraw/zinc/04/90/15/212049015.db2.gz DZDSCGYYSSVGAN-RBUKOAKNSA-N 2 0 374.533 0.791 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000275480674 212035995 /nfs/dbraw/zinc/03/59/95/212035995.db2.gz ZYJYQAFBYLVPHP-UHFFFAOYSA-N 2 0 361.490 0.787 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415244209 245369267 /nfs/dbraw/zinc/36/92/67/245369267.db2.gz MOTCHHFILZQVFC-IBGZPJMESA-N 2 0 360.458 0.907 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@@H+](C2CC2)C1 ZINC000415258762 245370322 /nfs/dbraw/zinc/37/03/22/245370322.db2.gz SLAACEYUQZHOIN-CQSZACIVSA-N 2 0 360.458 0.905 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000415294381 245379082 /nfs/dbraw/zinc/37/90/82/245379082.db2.gz OEXUIBYCVCBETO-CYBMUJFWSA-N 2 0 361.446 0.465 20 0 FCADRP COC(=O)c1cn([C@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000374299316 217116516 /nfs/dbraw/zinc/11/65/16/217116516.db2.gz AKMUTPOEDFSJGV-INIZCTEOSA-N 2 0 364.494 0.728 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[NH2+]CC1 ZINC000375964593 217338406 /nfs/dbraw/zinc/33/84/06/217338406.db2.gz OCQBZNULOHQJCQ-HNNXBMFYSA-N 2 0 351.472 0.156 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000417847212 245730834 /nfs/dbraw/zinc/73/08/34/245730834.db2.gz AGUDAUYCKRPGNN-YCPHGPKFSA-N 2 0 351.495 0.641 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000417852984 245731318 /nfs/dbraw/zinc/73/13/18/245731318.db2.gz HTYIXCPTUXWULX-LXZKKBNFSA-N 2 0 367.538 0.909 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418355634 245780012 /nfs/dbraw/zinc/78/00/12/245780012.db2.gz WYRHDXXKQAAMAO-OLZOCXBDSA-N 2 0 351.417 0.511 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652222 674127245 /nfs/dbraw/zinc/12/72/45/674127245.db2.gz NXJPTCZXJVETNA-OKILXGFUSA-N 2 0 368.598 0.923 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807860 245834677 /nfs/dbraw/zinc/83/46/77/245834677.db2.gz QIFDLEMRMRMOIQ-ZIAGYGMSSA-N 2 0 354.495 0.454 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855553 245869616 /nfs/dbraw/zinc/86/96/16/245869616.db2.gz UZRZVHFFOUSKTR-GDBMZVCRSA-N 2 0 362.474 0.659 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000419129137 246005219 /nfs/dbraw/zinc/00/52/19/246005219.db2.gz CRWBKFBDITZBQT-MRXNPFEDSA-N 2 0 364.515 0.930 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000419153977 246019037 /nfs/dbraw/zinc/01/90/37/246019037.db2.gz PNBAGUXCJXILGX-ZWKOTPCHSA-N 2 0 364.534 0.929 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162347 246025534 /nfs/dbraw/zinc/02/55/34/246025534.db2.gz GZYNPTSGSNLZPA-ROUUACIJSA-N 2 0 374.485 0.343 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419133034 246006670 /nfs/dbraw/zinc/00/66/70/246006670.db2.gz IHDRNMKDKYZFHV-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000419133365 246009772 /nfs/dbraw/zinc/00/97/72/246009772.db2.gz FWOAFTMYPHJQHF-QGZVFWFLSA-N 2 0 352.523 0.929 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000419137845 246011189 /nfs/dbraw/zinc/01/11/89/246011189.db2.gz RJSFOTYOZBAZTO-UHFFFAOYSA-N 2 0 362.474 0.441 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144337 246012680 /nfs/dbraw/zinc/01/26/80/246012680.db2.gz GRXIIPUANJIJBN-LSDHHAIUSA-N 2 0 364.515 0.945 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419142594 246012905 /nfs/dbraw/zinc/01/29/05/246012905.db2.gz CJAGSLIASCLPTQ-ROUUACIJSA-N 2 0 374.485 0.434 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419149227 246016481 /nfs/dbraw/zinc/01/64/81/246016481.db2.gz KWAYUIVUGRNEBQ-IRXDYDNUSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419149041 246017356 /nfs/dbraw/zinc/01/73/56/246017356.db2.gz DTCTZQBZHQUISG-ZIFCJYIRSA-N 2 0 372.513 0.876 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419148730 246017488 /nfs/dbraw/zinc/01/74/88/246017488.db2.gz KKFHMWRULIWIIO-LJQANCHMSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419149186 246017997 /nfs/dbraw/zinc/01/79/97/246017997.db2.gz KRDVWVGOIPPHNL-ZDUSSCGKSA-N 2 0 352.504 0.882 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162348 246026990 /nfs/dbraw/zinc/02/69/90/246026990.db2.gz GZYNPTSGSNLZPA-ZWKOTPCHSA-N 2 0 374.485 0.343 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166134 246029248 /nfs/dbraw/zinc/02/92/48/246029248.db2.gz ONPAHIFOOLZWJD-ZWKOTPCHSA-N 2 0 374.485 0.247 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419175985 246034581 /nfs/dbraw/zinc/03/45/81/246034581.db2.gz YLFNHNOVGOVMSE-IXDOHACOSA-N 2 0 368.522 0.722 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419185092 246041578 /nfs/dbraw/zinc/04/15/78/246041578.db2.gz GRDDSPKNMRXOJH-INIZCTEOSA-N 2 0 358.486 0.896 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419188621 246044790 /nfs/dbraw/zinc/04/47/90/246044790.db2.gz KEKUJDNJLSFBDD-QAPCUYQASA-N 2 0 374.460 0.727 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419212221 246056253 /nfs/dbraw/zinc/05/62/53/246056253.db2.gz UKKVFGZNOLBSAN-GHTZIAJQSA-N 2 0 370.497 0.979 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419211061 246057431 /nfs/dbraw/zinc/05/74/31/246057431.db2.gz YRPXAGZQMMWDDA-DOTOQJQBSA-N 2 0 362.474 0.199 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213904 246058485 /nfs/dbraw/zinc/05/84/85/246058485.db2.gz WZUVIMFWTYJVCC-QZTJIDSGSA-N 2 0 374.485 0.343 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419216237 246059407 /nfs/dbraw/zinc/05/94/07/246059407.db2.gz ZZRRVPFCLZHXTF-JZXOWHBKSA-N 2 0 358.486 0.976 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000419216259 246059613 /nfs/dbraw/zinc/05/96/13/246059613.db2.gz BEARVMNFSMQEKZ-MOPGFXCFSA-N 2 0 370.497 0.956 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223468 246062079 /nfs/dbraw/zinc/06/20/79/246062079.db2.gz DAMBXHVHIMUISW-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419222306 246062550 /nfs/dbraw/zinc/06/25/50/246062550.db2.gz BMVLPABTBAUPOS-FHLIZLRMSA-N 2 0 358.486 0.867 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229634 246066940 /nfs/dbraw/zinc/06/69/40/246066940.db2.gz PBMDQZBLCDRWJR-DOTOQJQBSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000419201167 246050964 /nfs/dbraw/zinc/05/09/64/246050964.db2.gz FTDWXBGKXKNCLC-FQEVSTJZSA-N 2 0 374.485 0.455 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419204708 246052658 /nfs/dbraw/zinc/05/26/58/246052658.db2.gz JABYUAXENRLEER-CABCVRRESA-N 2 0 362.474 0.452 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419231770 246071756 /nfs/dbraw/zinc/07/17/56/246071756.db2.gz SFOQOORUBSNEGL-USXIJHARSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419231768 246072272 /nfs/dbraw/zinc/07/22/72/246072272.db2.gz SFOQOORUBSNEGL-UAGQMJEPSA-N 2 0 350.507 0.953 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000419237943 246075336 /nfs/dbraw/zinc/07/53/36/246075336.db2.gz MIAKVTZWXQTHDC-CVEARBPZSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419247520 246077085 /nfs/dbraw/zinc/07/70/85/246077085.db2.gz NLTLDZUOIHUDMK-ATLSCFEFSA-N 2 0 358.486 0.737 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419269452 246081260 /nfs/dbraw/zinc/08/12/60/246081260.db2.gz OSLDCHSKMWWNSW-MSOLQXFVSA-N 2 0 356.470 0.719 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000419265077 246081863 /nfs/dbraw/zinc/08/18/63/246081863.db2.gz CUWORCONKSFQQV-KRWDZBQOSA-N 2 0 360.458 0.085 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317682 246097529 /nfs/dbraw/zinc/09/75/29/246097529.db2.gz MZYNYDQBUPMOAC-LFVTVUPYSA-N 2 0 356.470 0.681 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419324836 246099771 /nfs/dbraw/zinc/09/97/71/246099771.db2.gz WDHUFCYGLPPZGJ-MHRLRVJTSA-N 2 0 374.460 0.820 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419336335 246102557 /nfs/dbraw/zinc/10/25/57/246102557.db2.gz ACXZHKZLAUUSJO-IRXDYDNUSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419291217 246089269 /nfs/dbraw/zinc/08/92/69/246089269.db2.gz WGHXJMQODXJQCI-CYBMUJFWSA-N 2 0 365.453 0.172 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)[C@@H](C)C[NH2+]1 ZINC000419303876 246091309 /nfs/dbraw/zinc/09/13/09/246091309.db2.gz ISMVSCDPLPTMTE-CABCVRRESA-N 2 0 359.474 0.897 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)Cc2ccccc2C1 ZINC000419361595 246117807 /nfs/dbraw/zinc/11/78/07/246117807.db2.gz AWFTUCXMRWVFSU-UHFFFAOYSA-N 2 0 372.513 0.980 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000419371437 246121936 /nfs/dbraw/zinc/12/19/36/246121936.db2.gz KSWHSRMNNDFRRV-RCCFBDPRSA-N 2 0 364.534 0.927 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000419371925 246123418 /nfs/dbraw/zinc/12/34/18/246123418.db2.gz LRGFQUFBDZLSGO-DLBZAZTESA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419375441 246125015 /nfs/dbraw/zinc/12/50/15/246125015.db2.gz RMRJIRCKSKNEAJ-YESZJQIVSA-N 2 0 352.523 0.973 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419351585 246114337 /nfs/dbraw/zinc/11/43/37/246114337.db2.gz HQPHBZWNMUOGPO-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000419364857 246117400 /nfs/dbraw/zinc/11/74/00/246117400.db2.gz FCDUKQGARYXTMX-MRXNPFEDSA-N 2 0 372.513 0.789 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419412476 246146680 /nfs/dbraw/zinc/14/66/80/246146680.db2.gz CIIGRHGTACGZJI-VQHPVUNQSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419412948 246146707 /nfs/dbraw/zinc/14/67/07/246146707.db2.gz DYRKDMVRIIIZBI-QGZVFWFLSA-N 2 0 373.501 0.122 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000419412159 246147943 /nfs/dbraw/zinc/14/79/43/246147943.db2.gz QSVXKYDLVJIPJL-KCXAZCMYSA-N 2 0 350.438 0.740 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419415678 246149588 /nfs/dbraw/zinc/14/95/88/246149588.db2.gz GEQNVEJGUIGSMQ-SFHVURJKSA-N 2 0 358.486 0.761 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000419401067 246135239 /nfs/dbraw/zinc/13/52/39/246135239.db2.gz AJSFTEWLJDWOMI-GPANFISMSA-N 2 0 350.438 0.931 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402359 246136721 /nfs/dbraw/zinc/13/67/21/246136721.db2.gz CHTYJBZIGGTYLC-GOEBONIOSA-N 2 0 368.522 0.986 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419403201 246136743 /nfs/dbraw/zinc/13/67/43/246136743.db2.gz CWZCNESUCIYPRL-MSOLQXFVSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419404748 246139547 /nfs/dbraw/zinc/13/95/47/246139547.db2.gz GQHXXMXMYYUCKQ-HRCADAONSA-N 2 0 350.438 0.931 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419407882 246140909 /nfs/dbraw/zinc/14/09/09/246140909.db2.gz LKNDJJHKDVEVJU-SFHVURJKSA-N 2 0 358.486 0.889 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407734 246141156 /nfs/dbraw/zinc/14/11/56/246141156.db2.gz YUUGYHZXZCLJQE-RYQLBKOJSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419409266 246141939 /nfs/dbraw/zinc/14/19/39/246141939.db2.gz MVPIKPUQUKMTEW-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419427999 246157886 /nfs/dbraw/zinc/15/78/86/246157886.db2.gz SKFPMOQUEFHDSS-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419503269 246182850 /nfs/dbraw/zinc/18/28/50/246182850.db2.gz CWRBGFVUDHCSGZ-RXVVDRJESA-N 2 0 370.497 0.837 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419528549 246192202 /nfs/dbraw/zinc/19/22/02/246192202.db2.gz WJNGNIVPFJJXMB-UAGQMJEPSA-N 2 0 368.522 0.578 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000419481812 246178753 /nfs/dbraw/zinc/17/87/53/246178753.db2.gz PKGLSAMRHPWYJG-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000419590665 246212501 /nfs/dbraw/zinc/21/25/01/246212501.db2.gz UNHBHPHLLRZSTL-QGZVFWFLSA-N 2 0 356.536 0.388 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000419528058 246193662 /nfs/dbraw/zinc/19/36/62/246193662.db2.gz VYEXRATZWJCTTF-IRXDYDNUSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419536239 246194962 /nfs/dbraw/zinc/19/49/62/246194962.db2.gz UIXQWYZSURTOFZ-SZMVWBNQSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419532194 246195696 /nfs/dbraw/zinc/19/56/96/246195696.db2.gz MSHXZVIGIFNCIQ-KBAYOESNSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@@H+]1C ZINC000419560567 246202116 /nfs/dbraw/zinc/20/21/16/246202116.db2.gz RGJDGLYDUZNOIH-GPPPIRTASA-N 2 0 362.518 0.855 20 0 FCADRP COc1cc(NC(=O)C(=O)N2CCN(C)CC2)ccc1OCC[NH+](C)C ZINC000419663751 246235723 /nfs/dbraw/zinc/23/57/23/246235723.db2.gz QMHAPWMRZGZJCR-UHFFFAOYSA-N 2 0 364.446 0.348 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419664648 246237394 /nfs/dbraw/zinc/23/73/94/246237394.db2.gz MMVMLYKUQFKZOD-HOTGVXAUSA-N 2 0 359.474 0.800 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H]1C[NH3+] ZINC000419684045 246248601 /nfs/dbraw/zinc/24/86/01/246248601.db2.gz LTBKSUOYWGBFIT-CVEARBPZSA-N 2 0 366.506 0.333 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCC1 ZINC000419720638 246270091 /nfs/dbraw/zinc/27/00/91/246270091.db2.gz YPKYTGCELYMGIG-YYIAUSFCSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419688294 246250517 /nfs/dbraw/zinc/25/05/17/246250517.db2.gz GJTUHSBHNHAEQD-HNNXBMFYSA-N 2 0 368.547 0.580 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419692725 246251644 /nfs/dbraw/zinc/25/16/44/246251644.db2.gz YOXPACUSEVRYLK-HNNXBMFYSA-N 2 0 354.495 0.237 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419692726 246251994 /nfs/dbraw/zinc/25/19/94/246251994.db2.gz YOXPACUSEVRYLK-OAHLLOKOSA-N 2 0 354.495 0.237 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419694836 246255379 /nfs/dbraw/zinc/25/53/79/246255379.db2.gz QRINLAKVEIKUDY-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419703495 246259264 /nfs/dbraw/zinc/25/92/64/246259264.db2.gz DILMIXAIWMEDDX-RYRKJORJSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702297 246259788 /nfs/dbraw/zinc/25/97/88/246259788.db2.gz AVGCBLGZMVMOAW-ILXRZTDVSA-N 2 0 354.495 0.596 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778319 246293168 /nfs/dbraw/zinc/29/31/68/246293168.db2.gz OQKWYAJTTJJKOL-DOMZBBRYSA-N 2 0 352.479 0.206 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000419805304 246301715 /nfs/dbraw/zinc/30/17/15/246301715.db2.gz DIMZNIMHFSBVRL-MAUKXSAKSA-N 2 0 374.485 0.769 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419824596 246306839 /nfs/dbraw/zinc/30/68/39/246306839.db2.gz QMCRCXAOWKAFRJ-UHFFFAOYSA-N 2 0 368.522 0.644 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419809340 246303845 /nfs/dbraw/zinc/30/38/45/246303845.db2.gz CYSCOWZIXJVRAF-MRXNPFEDSA-N 2 0 368.522 0.724 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000419814010 246303867 /nfs/dbraw/zinc/30/38/67/246303867.db2.gz KBLXFTZGGXWUOK-MRXNPFEDSA-N 2 0 366.506 0.478 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419721198 246270807 /nfs/dbraw/zinc/27/08/07/246270807.db2.gz GKJCQSBTNCTNJA-INIZCTEOSA-N 2 0 366.506 0.476 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419720005 246270898 /nfs/dbraw/zinc/27/08/98/246270898.db2.gz HDJCXPDNASANFK-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419727496 246272728 /nfs/dbraw/zinc/27/27/28/246272728.db2.gz LNQQVUFHRATBHL-QAPCUYQASA-N 2 0 374.485 0.514 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000419873979 246342407 /nfs/dbraw/zinc/34/24/07/246342407.db2.gz ZHTXIIMEGCMDCX-CZUORRHYSA-N 2 0 350.438 0.660 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419872782 246340627 /nfs/dbraw/zinc/34/06/27/246340627.db2.gz FKGSOHFPCHWHDM-KBAYOESNSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CCCCCC1 ZINC000419874504 246340814 /nfs/dbraw/zinc/34/08/14/246340814.db2.gz UBVZUSCULNGICV-UHFFFAOYSA-N 2 0 367.538 0.169 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCCCC1 ZINC000419826051 246308459 /nfs/dbraw/zinc/30/84/59/246308459.db2.gz SDLBKSPRAPVARP-UHFFFAOYSA-N 2 0 368.522 0.724 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419829364 246309590 /nfs/dbraw/zinc/30/95/90/246309590.db2.gz PRSODWHDZVFDMY-RDJZCZTQSA-N 2 0 367.538 0.010 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419828975 246309691 /nfs/dbraw/zinc/30/96/91/246309691.db2.gz UTZFYDQLXZHQHY-QZTJIDSGSA-N 2 0 374.485 0.802 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC2CC[NH2+]CC2)c1 ZINC000419845274 246318541 /nfs/dbraw/zinc/31/85/41/246318541.db2.gz PNNGDEUBHSFJCU-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419844413 246319004 /nfs/dbraw/zinc/31/90/04/246319004.db2.gz OFTUZXGSZGVDST-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850397 246319895 /nfs/dbraw/zinc/31/98/95/246319895.db2.gz LJSMVQAUOJHOQL-UHFFFAOYSA-N 2 0 368.428 0.723 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864403 246331831 /nfs/dbraw/zinc/33/18/31/246331831.db2.gz ISFJCGIQUNXLIO-QGZVFWFLSA-N 2 0 367.538 0.169 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419895466 246355487 /nfs/dbraw/zinc/35/54/87/246355487.db2.gz OSNQPJHZXSGHAP-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419956276 246386902 /nfs/dbraw/zinc/38/69/02/246386902.db2.gz SJFMNLJTSUFTCU-INIZCTEOSA-N 2 0 368.522 0.309 20 0 FCADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349668 246548034 /nfs/dbraw/zinc/54/80/34/246548034.db2.gz PZYCWCCYOMMSSR-ZWKOTPCHSA-N 2 0 360.502 0.858 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374205 246553545 /nfs/dbraw/zinc/55/35/45/246553545.db2.gz HCHKWUHRHQGDLX-JGGQBBKZSA-N 2 0 356.467 0.065 20 0 FCADRP CCN(CC)C(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420450825 246562150 /nfs/dbraw/zinc/56/21/50/246562150.db2.gz HMRFGHQQZJFXSN-UHFFFAOYSA-N 2 0 370.519 0.857 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423083684 246960815 /nfs/dbraw/zinc/96/08/15/246960815.db2.gz GICKHXBWTDQIFS-QGZVFWFLSA-N 2 0 368.522 0.389 20 0 FCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423182644 246975361 /nfs/dbraw/zinc/97/53/61/246975361.db2.gz QUCIIIGVPGXZJK-OAHLLOKOSA-N 2 0 354.520 0.883 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000423372357 247013804 /nfs/dbraw/zinc/01/38/04/247013804.db2.gz BFFMICIWZJAVJX-WBVHZDCISA-N 2 0 368.522 0.530 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000423392366 247018069 /nfs/dbraw/zinc/01/80/69/247018069.db2.gz QGIUFXSWQIFFHQ-PMPSAXMXSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423233199 246982558 /nfs/dbraw/zinc/98/25/58/246982558.db2.gz JMJYPPOYRJAPOK-UKPHBRMFSA-N 2 0 362.449 0.631 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423424436 247023526 /nfs/dbraw/zinc/02/35/26/247023526.db2.gz FPGDLJZFXUDPBA-MWDXBVQZSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000423595251 247066728 /nfs/dbraw/zinc/06/67/28/247066728.db2.gz PPECWHYSTWIMPH-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000423598160 247067992 /nfs/dbraw/zinc/06/79/92/247067992.db2.gz VYZGXXLXSFEPML-ROUUACIJSA-N 2 0 358.486 0.582 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000423437743 247028492 /nfs/dbraw/zinc/02/84/92/247028492.db2.gz GOCQRHVPZUBWEB-XHSDSOJGSA-N 2 0 354.495 0.141 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423450776 247029957 /nfs/dbraw/zinc/02/99/57/247029957.db2.gz UFBCIWTVDJWJEA-KRWDZBQOSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423496901 247037510 /nfs/dbraw/zinc/03/75/10/247037510.db2.gz FUBDMSVYUDQTNJ-INMHGKMJSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000423607664 247072192 /nfs/dbraw/zinc/07/21/92/247072192.db2.gz JULWWLMVEHYZDJ-HIFRSBDPSA-N 2 0 352.504 0.834 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423609928 247075325 /nfs/dbraw/zinc/07/53/25/247075325.db2.gz MFFFGSYPJNEVPB-QGZVFWFLSA-N 2 0 352.504 0.836 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423640079 247088411 /nfs/dbraw/zinc/08/84/11/247088411.db2.gz VIVPGNFLMVHVHZ-IBGZPJMESA-N 2 0 362.474 0.772 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423657900 247096619 /nfs/dbraw/zinc/09/66/19/247096619.db2.gz WWKGEGPJLIJXLJ-HOTGVXAUSA-N 2 0 373.501 0.965 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423663208 247100464 /nfs/dbraw/zinc/10/04/64/247100464.db2.gz GINNTNDLJZHEST-GOSISDBHSA-N 2 0 358.486 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988450 247155718 /nfs/dbraw/zinc/15/57/18/247155718.db2.gz XOLZUASLISWEPG-OAFZBRQQSA-N 2 0 350.507 0.763 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423705104 247118229 /nfs/dbraw/zinc/11/82/29/247118229.db2.gz GNOZYYRAMIRYBC-FQEVSTJZSA-N 2 0 358.486 0.789 20 0 FCADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000423725477 247128711 /nfs/dbraw/zinc/12/87/11/247128711.db2.gz IZMJNMKLCKSNAT-HRCADAONSA-N 2 0 359.536 0.861 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)cn2)CC1 ZINC000423728382 247128747 /nfs/dbraw/zinc/12/87/47/247128747.db2.gz LVJZMIOFEVTVON-ZDUSSCGKSA-N 2 0 355.446 0.886 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423730592 247131404 /nfs/dbraw/zinc/13/14/04/247131404.db2.gz LKEQVLKCIVRUAP-RDJZCZTQSA-N 2 0 366.506 0.143 20 0 FCADRP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nn1 ZINC000424217803 247178578 /nfs/dbraw/zinc/17/85/78/247178578.db2.gz OFGMJFDFXIVEEY-FUHWJXTLSA-N 2 0 354.458 0.973 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000424446039 247216780 /nfs/dbraw/zinc/21/67/80/247216780.db2.gz GTAYWZAPJHJHLS-QGZVFWFLSA-N 2 0 350.488 0.946 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322408 247323397 /nfs/dbraw/zinc/32/33/97/247323397.db2.gz TUYQDAOELWOLFH-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431040003 247745343 /nfs/dbraw/zinc/74/53/43/247745343.db2.gz UOGMRDWVORVGCF-UHFFFAOYSA-N 2 0 366.487 0.738 20 0 FCADRP CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433120264 247843282 /nfs/dbraw/zinc/84/32/82/247843282.db2.gz JKBSFJUKBMZURY-MRXNPFEDSA-N 2 0 374.551 0.510 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436297366 248037625 /nfs/dbraw/zinc/03/76/25/248037625.db2.gz XMTKEOKKFAUPHX-YLJYHZDGSA-N 2 0 372.517 0.885 20 0 FCADRP CCOC(=O)Cn1nc(C)c(C[NH2+]CCCN2CC[NH+](C)CC2)c1C ZINC000437758989 248067396 /nfs/dbraw/zinc/06/73/96/248067396.db2.gz COYMJCODJSQICL-UHFFFAOYSA-N 2 0 351.495 0.790 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000439131703 248110984 /nfs/dbraw/zinc/11/09/84/248110984.db2.gz IHHBOCBJEKVNSV-DOTOQJQBSA-N 2 0 361.552 0.995 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000440984715 248229825 /nfs/dbraw/zinc/22/98/25/248229825.db2.gz NWPIXCBAXZONCW-QGZVFWFLSA-N 2 0 369.554 0.668 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772074 248297661 /nfs/dbraw/zinc/29/76/61/248297661.db2.gz UTVUYUVABIITKL-UJJTZGENSA-N 2 0 352.523 0.674 20 0 FCADRP CC1(C)CCC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000445150062 248374485 /nfs/dbraw/zinc/37/44/85/248374485.db2.gz HHIVWUJJCOXSCT-MRXNPFEDSA-N 2 0 367.538 0.995 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000271131653 211342969 /nfs/dbraw/zinc/34/29/69/211342969.db2.gz OVHMUZIMRAPDFY-SFHVURJKSA-N 2 0 361.490 0.867 20 0 FCADRP COC[C@@H](O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270876203 211288289 /nfs/dbraw/zinc/28/82/89/211288289.db2.gz MQCAYMRIWPAQFI-KRWDZBQOSA-N 2 0 365.478 0.290 20 0 FCADRP C[NH+](C)[C@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817304 211275354 /nfs/dbraw/zinc/27/53/54/211275354.db2.gz NJPFBIQDJWBSSG-GJZGRUSLSA-N 2 0 362.474 0.761 20 0 FCADRP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN1C1CC[NH+](C)CC1 ZINC000471659990 250113157 /nfs/dbraw/zinc/11/31/57/250113157.db2.gz UDXQEWHPQKOFJL-INIZCTEOSA-N 2 0 355.527 0.375 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000471648934 250114469 /nfs/dbraw/zinc/11/44/69/250114469.db2.gz NDRXOIKWPFPJHC-UHFFFAOYSA-N 2 0 364.494 0.211 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275862 250142924 /nfs/dbraw/zinc/14/29/24/250142924.db2.gz KDAPLHUOLAJDAJ-QZTJIDSGSA-N 2 0 354.539 0.972 20 0 FCADRP CCN(C)C(=O)[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000473924770 250257216 /nfs/dbraw/zinc/25/72/16/250257216.db2.gz WGYAPLGSRSWSNU-CVEARBPZSA-N 2 0 355.527 0.911 20 0 FCADRP CN1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000474006594 250263571 /nfs/dbraw/zinc/26/35/71/250263571.db2.gz GHUIBZRQQSUGFR-HNNXBMFYSA-N 2 0 360.462 0.124 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979135 250304810 /nfs/dbraw/zinc/30/48/10/250304810.db2.gz LGLZCVBBUOCJFE-YVSFHVDLSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000481635570 250347914 /nfs/dbraw/zinc/34/79/14/250347914.db2.gz UQRZDDMXURPIMI-NUEKZKHPSA-N 2 0 353.511 0.839 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879242 250369933 /nfs/dbraw/zinc/36/99/33/250369933.db2.gz NDRSWWXIWMNJEH-JKSUJKDBSA-N 2 0 368.522 0.044 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000482011357 250375008 /nfs/dbraw/zinc/37/50/08/250375008.db2.gz AMRHDQDFZVWABB-UHFFFAOYSA-N 2 0 368.503 0.231 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+](C)C1 ZINC000413476889 532992360 /nfs/dbraw/zinc/99/23/60/532992360.db2.gz FVWMDNGZYJBWJY-OAHLLOKOSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+](C)C1 ZINC000413141854 532990630 /nfs/dbraw/zinc/99/06/30/532990630.db2.gz QBJMWKSKLFTEIP-OAHLLOKOSA-N 2 0 352.479 0.607 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+](C)C1 ZINC000413111561 532994895 /nfs/dbraw/zinc/99/48/95/532994895.db2.gz UGXCRVQSGTTZIY-HRCADAONSA-N 2 0 354.495 0.853 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000069028388 208031119 /nfs/dbraw/zinc/03/11/19/208031119.db2.gz AYHVYMNLPBBBBJ-GOSISDBHSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016782 208031501 /nfs/dbraw/zinc/03/15/01/208031501.db2.gz GHGBEPFJZPULGV-GASCZTMLSA-N 2 0 352.479 0.750 20 0 FCADRP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC)CC1=O ZINC000105317041 208197460 /nfs/dbraw/zinc/19/74/60/208197460.db2.gz RMJQXJFLIUROLR-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867651 208287482 /nfs/dbraw/zinc/28/74/82/208287482.db2.gz JEUHVLZQWGWKNV-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)CN1CCOCC1 ZINC000120923413 208393965 /nfs/dbraw/zinc/39/39/65/208393965.db2.gz JZLKRSGZSOCWDM-AWEZNQCLSA-N 2 0 360.458 0.655 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CC3CCOCC3)CC2)C1 ZINC000096078168 222013976 /nfs/dbraw/zinc/01/39/76/222013976.db2.gz LVTDKFBXKCVODD-UHFFFAOYSA-N 2 0 353.507 0.916 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410479384 230097049 /nfs/dbraw/zinc/09/70/49/230097049.db2.gz UAAJZYIUMQQXEX-NVXWUHKLSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497910 230102572 /nfs/dbraw/zinc/10/25/72/230102572.db2.gz LMNMRRZZAJNZRV-NVXWUHKLSA-N 2 0 373.501 0.896 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963164 230330799 /nfs/dbraw/zinc/33/07/99/230330799.db2.gz MKACTFPDJXRYTB-YTQUADARSA-N 2 0 372.513 0.934 20 0 FCADRP Cc1ccnc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000411020573 230351782 /nfs/dbraw/zinc/35/17/82/230351782.db2.gz GLDYKZVRUULKQO-QGZVFWFLSA-N 2 0 373.501 0.980 20 0 FCADRP O=C(CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695528 488874762 /nfs/dbraw/zinc/87/47/62/488874762.db2.gz NQETYCOJYCQEAX-NRFANRHFSA-N 2 0 370.497 0.933 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363806191 488887186 /nfs/dbraw/zinc/88/71/86/488887186.db2.gz OWQMGKXKNCBGOD-QGZVFWFLSA-N 2 0 354.539 0.877 20 0 FCADRP Cn1nncc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000287687109 488894967 /nfs/dbraw/zinc/89/49/67/488894967.db2.gz WXHBCKFHUQSJKY-UHFFFAOYSA-N 2 0 358.450 0.222 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CC1=O ZINC000364192840 488933604 /nfs/dbraw/zinc/93/36/04/488933604.db2.gz MEDYKQFZJHDMQT-PVAVHDDUSA-N 2 0 362.449 0.489 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000288091956 488942373 /nfs/dbraw/zinc/94/23/73/488942373.db2.gz HMFCRBSVDBXPNB-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000288235085 488959791 /nfs/dbraw/zinc/95/97/91/488959791.db2.gz QBEDRJFMRIUJJX-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP C[C@@H]1[C@H](C)N(C(=O)COCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000329133757 488972528 /nfs/dbraw/zinc/97/25/28/488972528.db2.gz ZDOYAZNTMZQRHW-WCVJEAGWSA-N 2 0 354.495 0.105 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816607 491191745 /nfs/dbraw/zinc/19/17/45/491191745.db2.gz VETIDWDFMNSQAO-OLZOCXBDSA-N 2 0 351.417 0.558 20 0 FCADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859800 488383281 /nfs/dbraw/zinc/38/32/81/488383281.db2.gz XDRFFVVCFPLESM-AWEZNQCLSA-N 2 0 368.503 0.936 20 0 FCADRP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCN(C)CC1 ZINC000074008869 488387156 /nfs/dbraw/zinc/38/71/56/488387156.db2.gz LOMDNDLZWSPHQP-KRWDZBQOSA-N 2 0 369.554 0.668 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223756 488389038 /nfs/dbraw/zinc/38/90/38/488389038.db2.gz JWLKPOPWUCBVAH-KRWDZBQOSA-N 2 0 369.554 0.670 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315941 488390146 /nfs/dbraw/zinc/39/01/46/488390146.db2.gz BROQIMZNGVPOQN-IRXDYDNUSA-N 2 0 350.507 0.587 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345391 488391198 /nfs/dbraw/zinc/39/11/98/488391198.db2.gz WSHMTXPZPPJVAA-JKSUJKDBSA-N 2 0 353.511 0.555 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000074658613 488393500 /nfs/dbraw/zinc/39/35/00/488393500.db2.gz VHGKNAFBNUCLSA-QGZVFWFLSA-N 2 0 351.539 0.997 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000075007439 488394642 /nfs/dbraw/zinc/39/46/42/488394642.db2.gz GWXFBJISZLWEKE-UHFFFAOYSA-N 2 0 352.479 0.407 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184511116 488396964 /nfs/dbraw/zinc/39/69/64/488396964.db2.gz IQSWCCYCLXGLOD-SJLPKXTDSA-N 2 0 354.539 0.922 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184511065 488396972 /nfs/dbraw/zinc/39/69/72/488396972.db2.gz IQSWCCYCLXGLOD-WMZOPIPTSA-N 2 0 354.539 0.922 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000077173411 488409118 /nfs/dbraw/zinc/40/91/18/488409118.db2.gz NSDONTARQNCOTJ-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077569885 488415787 /nfs/dbraw/zinc/41/57/87/488415787.db2.gz AYSRFEYWFXKNPY-UHFFFAOYSA-N 2 0 356.511 0.709 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1nnc2n1CCCCC2 ZINC000077758758 488417213 /nfs/dbraw/zinc/41/72/13/488417213.db2.gz ITLVCYCSLJEGDP-UHFFFAOYSA-N 2 0 365.526 0.682 20 0 FCADRP COCCN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000193139507 488426259 /nfs/dbraw/zinc/42/62/59/488426259.db2.gz LBYLZCFRDKOHSA-KRWDZBQOSA-N 2 0 355.527 0.232 20 0 FCADRP CC[N@H+](C)CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080102523 488433625 /nfs/dbraw/zinc/43/36/25/488433625.db2.gz PIYNITCSVRMBQE-UHFFFAOYSA-N 2 0 355.527 0.864 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085363719 488451617 /nfs/dbraw/zinc/45/16/17/488451617.db2.gz QUIUPIZJGNTVCF-MRXNPFEDSA-N 2 0 367.538 0.912 20 0 FCADRP Cc1nccn1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000268891298 488455519 /nfs/dbraw/zinc/45/55/19/488455519.db2.gz IUJYBGOLLZPBPP-INIZCTEOSA-N 2 0 362.478 0.530 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCCN1CC[NH2+]CC1 ZINC000238025792 488458385 /nfs/dbraw/zinc/45/83/85/488458385.db2.gz APMFTRZYCNTWED-UHFFFAOYSA-N 2 0 360.506 0.005 20 0 FCADRP CSC1(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC[NH+](C)CC1 ZINC000562908177 491199915 /nfs/dbraw/zinc/19/99/15/491199915.db2.gz RPFRNLWLXNEOKS-UHFFFAOYSA-N 2 0 354.524 1.394 20 0 FCADRP C[C@]1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269048 488484602 /nfs/dbraw/zinc/48/46/02/488484602.db2.gz QVMSKANAOURGAN-PXNSSMCTSA-N 2 0 358.486 1.000 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000269309464 488489736 /nfs/dbraw/zinc/48/97/36/488489736.db2.gz VYWNZRGKJDLYJS-LJQANCHMSA-N 2 0 360.502 0.819 20 0 FCADRP CC(C)[C@H](C(=O)N1CCCN(CC(N)=O)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494675 /nfs/dbraw/zinc/49/46/75/488494675.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 0 354.495 0.140 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000102048643 488497438 /nfs/dbraw/zinc/49/74/38/488497438.db2.gz APFHUOXBIYGKDV-QGZVFWFLSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922266 491203337 /nfs/dbraw/zinc/20/33/37/491203337.db2.gz FMAIJCMRMYIFDP-IAGOWNOFSA-N 2 0 356.474 0.933 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476268 488509631 /nfs/dbraw/zinc/50/96/31/488509631.db2.gz VOWTUCQRIKODKX-UHFFFAOYSA-N 2 0 364.538 0.682 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1=O ZINC000108463592 488519241 /nfs/dbraw/zinc/51/92/41/488519241.db2.gz LCMGCMDVOCAXCS-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109172679 488522087 /nfs/dbraw/zinc/52/20/87/488522087.db2.gz QOANWLVEBOUABT-GOSISDBHSA-N 2 0 370.538 0.879 20 0 FCADRP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261609974 488527044 /nfs/dbraw/zinc/52/70/44/488527044.db2.gz DNNXVDIXCOFODK-CYBMUJFWSA-N 2 0 351.447 0.999 20 0 FCADRP [NH3+][C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261614013 488527302 /nfs/dbraw/zinc/52/73/02/488527302.db2.gz BPADOXOZWYJPAX-IBGZPJMESA-N 2 0 360.502 0.674 20 0 FCADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000261648591 488528950 /nfs/dbraw/zinc/52/89/50/488528950.db2.gz JHZAMXMRIQIWGW-HNNXBMFYSA-N 2 0 350.438 0.537 20 0 FCADRP CCOCCN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000111813892 488531174 /nfs/dbraw/zinc/53/11/74/488531174.db2.gz LSZSHAJHEIIZDD-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000261700000 488531815 /nfs/dbraw/zinc/53/18/15/488531815.db2.gz OPZNPHVPMJLERO-OAHLLOKOSA-N 2 0 350.438 0.271 20 0 FCADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)CN1CC[NH+](C)CC1 ZINC000271649266 488534893 /nfs/dbraw/zinc/53/48/93/488534893.db2.gz FTBJMNXKVFUATK-GJZGRUSLSA-N 2 0 354.520 0.868 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000113504777 488538242 /nfs/dbraw/zinc/53/82/42/488538242.db2.gz BPNUKGXYYMOCJK-QGZVFWFLSA-N 2 0 362.474 0.961 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261896046 488540575 /nfs/dbraw/zinc/54/05/75/488540575.db2.gz RBWOGUPKAQUKKS-RRFJBIMHSA-N 2 0 367.494 0.189 20 0 FCADRP C[C@@]([NH3+])(C(=O)NCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000261956169 488543653 /nfs/dbraw/zinc/54/36/53/488543653.db2.gz IVAVZCITVSQEAS-HNNXBMFYSA-N 2 0 355.280 0.644 20 0 FCADRP O=C(CC[NH+]1CCC(NC(=O)c2ccsc2)CC1)N1CC[NH2+]CC1 ZINC000261956520 488543689 /nfs/dbraw/zinc/54/36/89/488543689.db2.gz AFOFKXUTLVOUEQ-UHFFFAOYSA-N 2 0 350.488 0.764 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1=O ZINC000118870372 488554783 /nfs/dbraw/zinc/55/47/83/488554783.db2.gz RRZBEYIEQKMZNQ-JKSUJKDBSA-N 2 0 362.474 0.943 20 0 FCADRP CC1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000262164164 488554885 /nfs/dbraw/zinc/55/48/85/488554885.db2.gz HDOQSZFNPVWDLF-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000262438459 488570619 /nfs/dbraw/zinc/57/06/19/488570619.db2.gz UNUKPWBVLPZOGR-UHFFFAOYSA-N 2 0 367.515 0.921 20 0 FCADRP C[NH2+][C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cnn(C)c1 ZINC000262470474 488571926 /nfs/dbraw/zinc/57/19/26/488571926.db2.gz YEYAMRYBGCQACH-JZXOWHBKSA-N 2 0 362.522 0.698 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000569969882 491207119 /nfs/dbraw/zinc/20/71/19/491207119.db2.gz HPXQFIQVUSXTRA-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000124362135 488591578 /nfs/dbraw/zinc/59/15/78/488591578.db2.gz AVHABDYZZIWPEO-UHFFFAOYSA-N 2 0 373.501 0.537 20 0 FCADRP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000124648313 488594526 /nfs/dbraw/zinc/59/45/26/488594526.db2.gz RZJPDXMRCSJVAE-INIZCTEOSA-N 2 0 364.494 0.716 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000263255659 488607910 /nfs/dbraw/zinc/60/79/10/488607910.db2.gz QNUFEXKAFFCSRO-KRWDZBQOSA-N 2 0 350.463 0.343 20 0 FCADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000127597268 488618369 /nfs/dbraw/zinc/61/83/69/488618369.db2.gz ICXOCOPMYQHMKA-HUUCEWRRSA-N 2 0 354.520 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130661247 488639390 /nfs/dbraw/zinc/63/93/90/488639390.db2.gz SEZHQXQRYVKCBM-CVEARBPZSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccon1 ZINC000273300623 488642496 /nfs/dbraw/zinc/64/24/96/488642496.db2.gz KRIGKWDEAHWNGC-UHFFFAOYSA-N 2 0 358.402 0.337 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000264267144 488659192 /nfs/dbraw/zinc/65/91/92/488659192.db2.gz LSJYJDTVVZJLEE-UHFFFAOYSA-N 2 0 364.490 0.766 20 0 FCADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137121083 488680271 /nfs/dbraw/zinc/68/02/71/488680271.db2.gz YLZKMLRSSCKIQB-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000150761025 488699552 /nfs/dbraw/zinc/69/95/52/488699552.db2.gz TWBBYESDGFJZBT-SFHVURJKSA-N 2 0 372.517 0.933 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])cc2F)CC1 ZINC000274386470 488703562 /nfs/dbraw/zinc/70/35/62/488703562.db2.gz BYFANUXZTGQAJV-UHFFFAOYSA-N 2 0 351.426 0.370 20 0 FCADRP CCC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])cc2Cl)CC1 ZINC000274441754 488708606 /nfs/dbraw/zinc/70/86/06/488708606.db2.gz QLSHPDYOJIKREA-UHFFFAOYSA-N 2 0 367.881 0.885 20 0 FCADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000264775529 488710584 /nfs/dbraw/zinc/71/05/84/488710584.db2.gz AUJAKERNPYEFRW-UHFFFAOYSA-N 3 0 360.506 0.987 20 0 FCADRP CCN(C)C(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274669423 488726601 /nfs/dbraw/zinc/72/66/01/488726601.db2.gz GVQCSWNQTASLOM-UHFFFAOYSA-N 2 0 362.478 0.371 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153276454 488729869 /nfs/dbraw/zinc/72/98/69/488729869.db2.gz GHYHUYBPZLITPD-CQSZACIVSA-N 2 0 350.467 0.374 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000153574986 488732497 /nfs/dbraw/zinc/73/24/97/488732497.db2.gz WCVIWVORUYRCKT-NVXWUHKLSA-N 2 0 354.495 0.459 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154514098 488743766 /nfs/dbraw/zinc/74/37/66/488743766.db2.gz GKQBHRHMYZTLFP-GOSISDBHSA-N 2 0 352.523 0.774 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146734 491219729 /nfs/dbraw/zinc/21/97/29/491219729.db2.gz OMYOXJBIEGEEIF-DLBZAZTESA-N 2 0 368.522 0.740 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000154657573 488745547 /nfs/dbraw/zinc/74/55/47/488745547.db2.gz IZWNQDJAJDEOHQ-KGLIPLIRSA-N 2 0 350.467 0.372 20 0 FCADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155124197 488751701 /nfs/dbraw/zinc/75/17/01/488751701.db2.gz GSAREUQZYLLBLL-LSDHHAIUSA-N 2 0 354.520 0.881 20 0 FCADRP Cn1c2ncn(CCN3CCC[C@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000157349599 488770749 /nfs/dbraw/zinc/77/07/49/488770749.db2.gz CWMAYGBDKDHMBQ-HNNXBMFYSA-N 2 0 374.489 0.384 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168097770 488812579 /nfs/dbraw/zinc/81/25/79/488812579.db2.gz DFQNYYFEWNXYNU-RTBURBONSA-N 2 0 361.486 0.927 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)on1 ZINC000170628277 488814291 /nfs/dbraw/zinc/81/42/91/488814291.db2.gz FNCGHASETVYOHU-CQSZACIVSA-N 2 0 351.451 0.796 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000171193911 488820881 /nfs/dbraw/zinc/82/08/81/488820881.db2.gz DXHXTXPECQMZSV-UHFFFAOYSA-N 2 0 364.494 0.211 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000268047699 488836291 /nfs/dbraw/zinc/83/62/91/488836291.db2.gz NIABDQARBLMRQB-OAHLLOKOSA-N 2 0 350.463 0.580 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000172723360 488837237 /nfs/dbraw/zinc/83/72/37/488837237.db2.gz HIVIROLPKLSNDV-UHFFFAOYSA-N 2 0 371.489 0.991 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000173580426 488843711 /nfs/dbraw/zinc/84/37/11/488843711.db2.gz GLJSPGPZPUMGNY-QGZVFWFLSA-N 2 0 356.511 0.709 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000175688563 488855054 /nfs/dbraw/zinc/85/50/54/488855054.db2.gz HBWPPZPHTRMYAG-KURKYZTESA-N 2 0 368.522 0.849 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000175740590 488855247 /nfs/dbraw/zinc/85/52/47/488855247.db2.gz OIXHTTSXUQUPFG-UHFFFAOYSA-N 2 0 356.511 0.709 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000179153742 488860930 /nfs/dbraw/zinc/86/09/30/488860930.db2.gz LFPULVBRWURRHJ-CQSZACIVSA-N 2 0 372.491 0.415 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179319386 488861061 /nfs/dbraw/zinc/86/10/61/488861061.db2.gz LDMYAFWNHMATRC-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000329334822 488994187 /nfs/dbraw/zinc/99/41/87/488994187.db2.gz KXMWMNUGYAGWSO-QAPCUYQASA-N 2 0 353.507 0.933 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000364738224 488995227 /nfs/dbraw/zinc/99/52/27/488995227.db2.gz UMMJCKHLNIBOCG-GMKVZWAMSA-N 2 0 353.507 0.823 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c1 ZINC000563203012 491226859 /nfs/dbraw/zinc/22/68/59/491226859.db2.gz QYNGNFNNRFSBPD-IBGZPJMESA-N 2 0 359.518 0.608 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509101 489011081 /nfs/dbraw/zinc/01/10/81/489011081.db2.gz JONJWUMCOHVJPL-SJORKVTESA-N 2 0 360.506 0.930 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000288758356 489012937 /nfs/dbraw/zinc/01/29/37/489012937.db2.gz JNGDQLVNXKJJKO-UHFFFAOYSA-N 2 0 363.506 0.686 20 0 FCADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000563215756 491228411 /nfs/dbraw/zinc/22/84/11/491228411.db2.gz SEDLESANKDXTDD-SFHVURJKSA-N 2 0 372.517 0.100 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000570268554 491228942 /nfs/dbraw/zinc/22/89/42/491228942.db2.gz JIBBTRHTXPZGAI-FGYAAKKASA-N 2 0 364.486 0.037 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000288957658 489032223 /nfs/dbraw/zinc/03/22/23/489032223.db2.gz VZPQEPFHVWIGHN-OAHLLOKOSA-N 2 0 361.490 0.743 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2)CC1 ZINC000289145140 489044974 /nfs/dbraw/zinc/04/49/74/489044974.db2.gz FYMAODBBNVPTFU-FQEVSTJZSA-N 2 0 371.529 0.554 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365324772 489064234 /nfs/dbraw/zinc/06/42/34/489064234.db2.gz GJMITPFUKCCGOZ-SFHVURJKSA-N 2 0 351.539 0.252 20 0 FCADRP O=C([C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365354364 489067002 /nfs/dbraw/zinc/06/70/02/489067002.db2.gz KDGOVBDEOLHONQ-IJANMDNKSA-N 2 0 374.529 0.824 20 0 FCADRP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C)nc1 ZINC000330115060 489070185 /nfs/dbraw/zinc/07/01/85/489070185.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 0 359.474 0.634 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000330190733 489078214 /nfs/dbraw/zinc/07/82/14/489078214.db2.gz MOPVNKNBQVTDMZ-OAHLLOKOSA-N 2 0 350.467 0.944 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365511930 489082523 /nfs/dbraw/zinc/08/25/23/489082523.db2.gz WQDBFTKFGJBSRB-UHFFFAOYSA-N 2 0 362.478 0.641 20 0 FCADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290253618 489124809 /nfs/dbraw/zinc/12/48/09/489124809.db2.gz WPPLVCSXAAGMOB-SJORKVTESA-N 2 0 361.490 0.416 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000290640310 489155092 /nfs/dbraw/zinc/15/50/92/489155092.db2.gz RDJOKJYRFLTNIE-BHIYHBOVSA-N 2 0 374.485 0.761 20 0 FCADRP CN(C)CC[N@H+](C)CCCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290730275 489160942 /nfs/dbraw/zinc/16/09/42/489160942.db2.gz WLNITHVXUACLGE-UHFFFAOYSA-N 2 0 351.495 0.635 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000331371328 489202626 /nfs/dbraw/zinc/20/26/26/489202626.db2.gz AZZIPLJSICYPIZ-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000331372557 489203165 /nfs/dbraw/zinc/20/31/65/489203165.db2.gz FFNQCWMKFPIYGA-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCCCC1 ZINC000331385845 489204879 /nfs/dbraw/zinc/20/48/79/489204879.db2.gz HWZXLFKKHBQWJE-JYJNAYRXSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000367571536 489207526 /nfs/dbraw/zinc/20/75/26/489207526.db2.gz BFNUGTVLZNDUBO-AEFFLSMTSA-N 2 0 352.523 0.770 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000331447972 489212806 /nfs/dbraw/zinc/21/28/06/489212806.db2.gz SPAJTBJGBCJXMQ-LTIDMASMSA-N 2 0 350.507 0.809 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000332773285 489227958 /nfs/dbraw/zinc/22/79/58/489227958.db2.gz GJHNTVZWHDIWMI-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000332895179 489243831 /nfs/dbraw/zinc/24/38/31/489243831.db2.gz IKWSBSTZCGQTSU-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C[C@@H]1n1ccnc1 ZINC000297861960 489253221 /nfs/dbraw/zinc/25/32/21/489253221.db2.gz VWHFBANXVLLBFR-WBVHZDCISA-N 2 0 359.474 0.989 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208190 489258840 /nfs/dbraw/zinc/25/88/40/489258840.db2.gz BBMLYUCPIHTCMM-KFWWJZLASA-N 2 0 361.494 0.757 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000283507262 489267698 /nfs/dbraw/zinc/26/76/98/489267698.db2.gz PWMBOEOENXOATR-MRXNPFEDSA-N 2 0 350.463 0.434 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000283640776 489285331 /nfs/dbraw/zinc/28/53/31/489285331.db2.gz YMOROARKFCWZGP-PBHICJAKSA-N 2 0 364.490 0.871 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000298081853 489287952 /nfs/dbraw/zinc/28/79/52/489287952.db2.gz ZFGXKBHUUYIQHL-IBGZPJMESA-N 2 0 362.474 0.724 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000298081857 489288086 /nfs/dbraw/zinc/28/80/86/489288086.db2.gz ZFGXKBHUUYIQHL-LJQANCHMSA-N 2 0 362.474 0.724 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)nc2)C1 ZINC000284617626 489313124 /nfs/dbraw/zinc/31/31/24/489313124.db2.gz XVQNJMSUHUFZHD-MRXNPFEDSA-N 2 0 359.474 0.851 20 0 FCADRP CN(CCC[N@H+](C)CCC(=O)Nc1sccc1C(N)=O)CC[NH+](C)C ZINC000298363990 489320266 /nfs/dbraw/zinc/32/02/66/489320266.db2.gz CLUCPAWUEHCERF-UHFFFAOYSA-N 2 0 369.535 0.991 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286019493 489347011 /nfs/dbraw/zinc/34/70/11/489347011.db2.gz PCYDSTAEDBQQRL-DLBZAZTESA-N 2 0 360.458 0.909 20 0 FCADRP CC[C@H](C(=O)NC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000298724227 489357487 /nfs/dbraw/zinc/35/74/87/489357487.db2.gz WVZJDRWGOSNOEC-ARFHVFGLSA-N 2 0 366.510 0.374 20 0 FCADRP CCN(CC1CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286181912 489365345 /nfs/dbraw/zinc/36/53/45/489365345.db2.gz WZTRGDMZOJSXRK-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236334 489372011 /nfs/dbraw/zinc/37/20/11/489372011.db2.gz UNWSJFBDSDQLLH-OALUTQOASA-N 2 0 360.502 0.860 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000563549577 491254576 /nfs/dbraw/zinc/25/45/76/491254576.db2.gz ZYZAUDPNIAEMDY-HRCADAONSA-N 2 0 351.495 0.450 20 0 FCADRP COC(=O)N1CC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000370758763 489398288 /nfs/dbraw/zinc/39/82/88/489398288.db2.gz WSULYJPONXVYFH-UHFFFAOYSA-N 2 0 353.467 0.295 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000363066141 489419197 /nfs/dbraw/zinc/41/91/97/489419197.db2.gz LCMPEXWAPHTJHU-QGZVFWFLSA-N 2 0 365.522 0.319 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027455 489440289 /nfs/dbraw/zinc/44/02/89/489440289.db2.gz IKNZDUMNHCLSJA-MSOLQXFVSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nncn1C ZINC000299514654 489449709 /nfs/dbraw/zinc/44/97/09/489449709.db2.gz OTCQCRAYSQAJNE-OAHLLOKOSA-N 2 0 372.477 0.783 20 0 FCADRP C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299525995 489451279 /nfs/dbraw/zinc/45/12/79/489451279.db2.gz RFUANTFBEOKILL-UHFFFAOYSA-N 3 0 360.506 0.941 20 0 FCADRP NC(=O)NCCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299573962 489457549 /nfs/dbraw/zinc/45/75/49/489457549.db2.gz PYDFVYLRRUKNIM-UHFFFAOYSA-N 2 0 362.478 0.549 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363389897 489461486 /nfs/dbraw/zinc/46/14/86/489461486.db2.gz OCKMZEYDEGCGNV-MSOLQXFVSA-N 3 0 369.554 0.765 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371225172 489468667 /nfs/dbraw/zinc/46/86/67/489468667.db2.gz GVOTXSZTIRRPPK-MSOLQXFVSA-N 2 0 369.554 0.622 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423094566 489492467 /nfs/dbraw/zinc/49/24/67/489492467.db2.gz KKKIISKYWLRBIE-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423093067 489492504 /nfs/dbraw/zinc/49/25/04/489492504.db2.gz FQKYPWPTDMLKTQ-CABCVRRESA-N 2 0 364.465 0.912 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657822 489493404 /nfs/dbraw/zinc/49/34/04/489493404.db2.gz NDLSISJSEUKYEL-IAGOWNOFSA-N 2 0 365.522 0.176 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657821 489493540 /nfs/dbraw/zinc/49/35/40/489493540.db2.gz NDLSISJSEUKYEL-DLBZAZTESA-N 2 0 365.522 0.176 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423128515 489495747 /nfs/dbraw/zinc/49/57/47/489495747.db2.gz KTGMFUJWTWQJGS-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000423165941 489498843 /nfs/dbraw/zinc/49/88/43/489498843.db2.gz BVVZATPXYMGARM-HNNXBMFYSA-N 2 0 350.463 0.546 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000423164746 489499198 /nfs/dbraw/zinc/49/91/98/489499198.db2.gz AABOOPRFNZMUCW-HUUCEWRRSA-N 2 0 350.463 0.674 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423170286 489499680 /nfs/dbraw/zinc/49/96/80/489499680.db2.gz XRTDQQXSGWTVLV-QGZVFWFLSA-N 2 0 364.465 0.926 20 0 FCADRP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423204115 489502264 /nfs/dbraw/zinc/50/22/64/489502264.db2.gz NQDOCMDKTYNLLK-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000423204859 489502825 /nfs/dbraw/zinc/50/28/25/489502825.db2.gz OUDBNZPEBSJXDK-UHFFFAOYSA-N 2 0 354.882 0.908 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000423208586 489502879 /nfs/dbraw/zinc/50/28/79/489502879.db2.gz ZIZLUYAOPHQZFC-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371749830 489505515 /nfs/dbraw/zinc/50/55/15/489505515.db2.gz UHQAOPFWNSYENM-ZWKOTPCHSA-N 2 0 373.501 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000423237429 489506241 /nfs/dbraw/zinc/50/62/41/489506241.db2.gz TWHKAAPHUFRDHQ-GOSISDBHSA-N 2 0 372.513 0.974 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000415382923 489517119 /nfs/dbraw/zinc/51/71/19/489517119.db2.gz WZXMVXDGNVQOIE-HNNXBMFYSA-N 2 0 361.490 0.616 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000415431494 489520749 /nfs/dbraw/zinc/52/07/49/489520749.db2.gz GMCIOMPOGKNKHJ-MAUKXSAKSA-N 2 0 373.501 0.963 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000415445306 489521764 /nfs/dbraw/zinc/52/17/64/489521764.db2.gz DWGXCTBHFOFCGI-KRWDZBQOSA-N 2 0 359.474 0.226 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c2)CC1 ZINC000415448639 489522372 /nfs/dbraw/zinc/52/23/72/489522372.db2.gz VFDMZECBNNQCKJ-KRWDZBQOSA-N 2 0 361.490 0.867 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000415468264 489523952 /nfs/dbraw/zinc/52/39/52/489523952.db2.gz VPEOCUMABSRDFC-MAUKXSAKSA-N 2 0 373.501 0.568 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c2)CC1 ZINC000415512789 489526288 /nfs/dbraw/zinc/52/62/88/489526288.db2.gz VDRUQUQLHJMYJQ-OAHLLOKOSA-N 2 0 361.490 0.867 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415515741 489526770 /nfs/dbraw/zinc/52/67/70/489526770.db2.gz DQRPHIIOYJHYOV-OLZOCXBDSA-N 2 0 366.437 0.900 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415515746 489526865 /nfs/dbraw/zinc/52/68/65/489526865.db2.gz DQRPHIIOYJHYOV-STQMWFEESA-N 2 0 366.437 0.900 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415543854 489527764 /nfs/dbraw/zinc/52/77/64/489527764.db2.gz DUHIIFCAMJUCMQ-UHFFFAOYSA-N 2 0 356.854 0.897 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)c2)CC1 ZINC000415542155 489528038 /nfs/dbraw/zinc/52/80/38/489528038.db2.gz PPIMFJRBBBZWLU-CVEARBPZSA-N 2 0 373.501 0.963 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000415595522 489534041 /nfs/dbraw/zinc/53/40/41/489534041.db2.gz HIQCUTDILCLPPH-QGZVFWFLSA-N 2 0 360.458 0.797 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000415605881 489536444 /nfs/dbraw/zinc/53/64/44/489536444.db2.gz XZBGGBBRDLKSKQ-GFCCVEGCSA-N 2 0 367.881 0.884 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CC1 ZINC000415681682 489541380 /nfs/dbraw/zinc/54/13/80/489541380.db2.gz ABPJFAXOVSEXBA-HXUWFJFHSA-N 2 0 373.501 0.964 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000415698937 489541822 /nfs/dbraw/zinc/54/18/22/489541822.db2.gz ZNISBOHNLRUEOY-SFHVURJKSA-N 2 0 366.437 0.902 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660926 491263252 /nfs/dbraw/zinc/26/32/52/491263252.db2.gz NDXZCHZYOIHOJN-GOEBONIOSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415761597 489550775 /nfs/dbraw/zinc/55/07/75/489550775.db2.gz NNRHHXXJTLTBFH-HALDLXJZSA-N 2 0 360.458 0.680 20 0 FCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415765437 489551118 /nfs/dbraw/zinc/55/11/18/489551118.db2.gz VITBTFYTTSFTAT-FVQHAEBGSA-N 2 0 360.458 0.680 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000415782637 489552785 /nfs/dbraw/zinc/55/27/85/489552785.db2.gz BORYELGCASACTN-UHFFFAOYSA-N 2 0 373.501 0.711 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000415828915 489556438 /nfs/dbraw/zinc/55/64/38/489556438.db2.gz GNTOGBDVOHOHBB-KRWDZBQOSA-N 2 0 362.474 0.962 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000415833156 489557189 /nfs/dbraw/zinc/55/71/89/489557189.db2.gz SAYQYPMDCHAMDX-CRAIPNDOSA-N 2 0 373.501 0.568 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415861682 489560501 /nfs/dbraw/zinc/56/05/01/489560501.db2.gz JIZOOLMTIMLVOP-KRWDZBQOSA-N 2 0 360.458 0.368 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416152573 489572200 /nfs/dbraw/zinc/57/22/00/489572200.db2.gz XTMWUVAVMSTZCW-GOSISDBHSA-N 2 0 358.486 0.891 20 0 FCADRP O=C(NCC1CC[NH+](CCO)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426541728 489574291 /nfs/dbraw/zinc/57/42/91/489574291.db2.gz BXKVVNZKWDRTKX-ZWKOTPCHSA-N 2 0 368.522 0.368 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000563704974 491264342 /nfs/dbraw/zinc/26/43/42/491264342.db2.gz APSMIMRVOXIHCE-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP O=C(CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000570785855 491264390 /nfs/dbraw/zinc/26/43/90/491264390.db2.gz AQBJMORTBSLBDD-QPJJXVBHSA-N 2 0 371.485 0.459 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000454854319 489580202 /nfs/dbraw/zinc/58/02/02/489580202.db2.gz BGKSKQUJJLOEIP-UHFFFAOYSA-N 2 0 365.526 0.982 20 0 FCADRP COc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000426902002 489586020 /nfs/dbraw/zinc/58/60/20/489586020.db2.gz ZLTYHRFQVFMFGM-TUVASFSCSA-N 2 0 363.510 0.513 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455652871 489597326 /nfs/dbraw/zinc/59/73/26/489597326.db2.gz ZQAYJJJHJFVMJE-UHFFFAOYSA-N 2 0 365.526 0.982 20 0 FCADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000563725260 491265798 /nfs/dbraw/zinc/26/57/98/491265798.db2.gz KVHMXWXUTKHXMG-XLIONFOSSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427778580 489620163 /nfs/dbraw/zinc/62/01/63/489620163.db2.gz JRXJTHXOCDTNGE-OBRKIGFESA-N 2 0 362.518 0.299 20 0 FCADRP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000416799398 489629796 /nfs/dbraw/zinc/62/97/96/489629796.db2.gz DCUIJEQRPGEBFW-QGZVFWFLSA-N 2 0 367.538 0.959 20 0 FCADRP O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000428043058 489634268 /nfs/dbraw/zinc/63/42/68/489634268.db2.gz XAQLKCAUAWRTKH-ROUUACIJSA-N 2 0 364.534 0.822 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000417062667 489640687 /nfs/dbraw/zinc/64/06/87/489640687.db2.gz HDISRMOGSIWLOI-QGZVFWFLSA-N 2 0 361.490 0.745 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417238991 489645607 /nfs/dbraw/zinc/64/56/07/489645607.db2.gz NDLUBJDBLYNGSI-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000417234166 489645616 /nfs/dbraw/zinc/64/56/16/489645616.db2.gz UNJUDZOVTHDCGY-QGZVFWFLSA-N 2 0 361.490 0.615 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236364 489645701 /nfs/dbraw/zinc/64/57/01/489645701.db2.gz FIJQYPATORBJPZ-UONOGXRCSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417252263 489645708 /nfs/dbraw/zinc/64/57/08/489645708.db2.gz JIAOIXBCAVKLIR-YVSFHVDLSA-N 2 0 367.538 0.849 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417285883 489646229 /nfs/dbraw/zinc/64/62/29/489646229.db2.gz IEDZNQILWWKPOR-STQMWFEESA-N 2 0 353.433 0.852 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730875 491268564 /nfs/dbraw/zinc/26/85/64/491268564.db2.gz MDXDYWKBBTUFPX-WBVHZDCISA-N 2 0 366.506 0.226 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362057 489649422 /nfs/dbraw/zinc/64/94/22/489649422.db2.gz DIXCMVRKEARCFD-IRXDYDNUSA-N 3 0 360.506 0.972 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C[C@@H](C)O1 ZINC000457570696 489649487 /nfs/dbraw/zinc/64/94/87/489649487.db2.gz HMVLLZRIKJAVOZ-ZACQAIPSSA-N 2 0 356.511 0.632 20 0 FCADRP O=S(=O)(NC1CC[NH+](CCN2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000570843823 491268824 /nfs/dbraw/zinc/26/88/24/491268824.db2.gz WAAVNRMCAREUQU-UHFFFAOYSA-N 2 0 352.504 0.335 20 0 FCADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620286 489651393 /nfs/dbraw/zinc/65/13/93/489651393.db2.gz PMWNKYHUHXLOMF-QZTJIDSGSA-N 2 0 369.554 0.404 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428513996 489651523 /nfs/dbraw/zinc/65/15/23/489651523.db2.gz ZUXAYWIAXHYCNO-STQMWFEESA-N 2 0 354.476 0.735 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620283 489651656 /nfs/dbraw/zinc/65/16/56/489651656.db2.gz PMWNKYHUHXLOMF-MSOLQXFVSA-N 2 0 369.554 0.404 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417425993 489651652 /nfs/dbraw/zinc/65/16/52/489651652.db2.gz FNWNZTRKNSXSBO-NXOAAHMSSA-N 2 0 365.522 0.616 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000417524715 489656677 /nfs/dbraw/zinc/65/66/77/489656677.db2.gz KDOOFGOKXDLWAN-SFHVURJKSA-N 2 0 364.490 0.929 20 0 FCADRP [NH3+][C@H](CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000417516751 489657119 /nfs/dbraw/zinc/65/71/19/489657119.db2.gz OMFDNUMONRRPHJ-MRXNPFEDSA-N 2 0 361.494 0.415 20 0 FCADRP CCOC1CC(CNC(=O)N(C)CC[N@H+](C)C2CC2)(N2CCOCC2)C1 ZINC000372977632 489658148 /nfs/dbraw/zinc/65/81/48/489658148.db2.gz TUWZUWDQTYPEDK-UHFFFAOYSA-N 2 0 368.522 0.992 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000417710350 489662338 /nfs/dbraw/zinc/66/23/38/489662338.db2.gz PIFCYPHQBKQNHK-LSDHHAIUSA-N 2 0 351.495 0.500 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417804755 489666012 /nfs/dbraw/zinc/66/60/12/489666012.db2.gz ZLDWMPKITJJHBK-IAGOWNOFSA-N 2 0 365.522 0.747 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000417835690 489668119 /nfs/dbraw/zinc/66/81/19/489668119.db2.gz GSSWMHVDNBALFD-OAHLLOKOSA-N 2 0 353.511 0.616 20 0 FCADRP C[C@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]1 ZINC000417854586 489668737 /nfs/dbraw/zinc/66/87/37/489668737.db2.gz UFAZGGUAVMTZIE-AWEZNQCLSA-N 2 0 353.511 0.616 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563804491 491270040 /nfs/dbraw/zinc/27/00/40/491270040.db2.gz PJMJWJSUSKIZBW-MRXNPFEDSA-N 2 0 364.465 0.913 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458193290 489673538 /nfs/dbraw/zinc/67/35/38/489673538.db2.gz FPGCPXRHDCMVGD-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000417993665 489674694 /nfs/dbraw/zinc/67/46/94/489674694.db2.gz AUGGKTLCNGUJIM-FRRDWIJNSA-N 2 0 351.417 0.604 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433291 489682781 /nfs/dbraw/zinc/68/27/81/489682781.db2.gz IYGBASUTYMPXNW-DLBZAZTESA-N 2 0 351.539 0.996 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418190964 489684138 /nfs/dbraw/zinc/68/41/38/489684138.db2.gz XAXUWWFTYTWXRP-UONOGXRCSA-N 2 0 365.444 0.996 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000555754709 491271109 /nfs/dbraw/zinc/27/11/09/491271109.db2.gz KRKIKAZPSRCGNS-CALCHBBNSA-N 2 0 368.522 0.594 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462161 489684505 /nfs/dbraw/zinc/68/45/05/489684505.db2.gz PUDOTNVYGKRZEH-ZWKOTPCHSA-N 2 0 369.554 0.406 20 0 FCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212067 489685056 /nfs/dbraw/zinc/68/50/56/489685056.db2.gz ZJRLCNDDAVFJMR-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418359609 489693509 /nfs/dbraw/zinc/69/35/09/489693509.db2.gz ANMTYMCDFYKTQJ-DLBZAZTESA-N 2 0 355.527 0.278 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418412296 489697268 /nfs/dbraw/zinc/69/72/68/489697268.db2.gz PXVPJIDNMDIBMB-YNEHKIRRSA-N 2 0 351.417 0.639 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418412292 489697506 /nfs/dbraw/zinc/69/75/06/489697506.db2.gz PXVPJIDNMDIBMB-RWMBFGLXSA-N 2 0 351.417 0.639 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418483389 489700856 /nfs/dbraw/zinc/70/08/56/489700856.db2.gz CDDCJSZXIWYGKP-MSOLQXFVSA-N 2 0 364.490 0.405 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000418486883 489701783 /nfs/dbraw/zinc/70/17/83/489701783.db2.gz IXPWZQYVDGCYGN-CQSZACIVSA-N 2 0 365.453 0.478 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000418495857 489702144 /nfs/dbraw/zinc/70/21/44/489702144.db2.gz GRNGBHZULBXKPH-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP CCc1nnc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)[nH]1 ZINC000458883561 489706488 /nfs/dbraw/zinc/70/64/88/489706488.db2.gz CIAFUWGKLJRJHE-AWEZNQCLSA-N 2 0 351.499 0.925 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000418604168 489709839 /nfs/dbraw/zinc/70/98/39/489709839.db2.gz XIVMENRUKFGDFS-OIISXLGYSA-N 2 0 365.522 0.794 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623659 489711888 /nfs/dbraw/zinc/71/18/88/489711888.db2.gz XIIJORFERLKJSL-QWHCGFSZSA-N 2 0 351.417 0.558 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623873 489712503 /nfs/dbraw/zinc/71/25/03/489712503.db2.gz XXHUYFLRLGXHGD-ZDUSSCGKSA-N 2 0 369.432 0.042 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000418641881 489714667 /nfs/dbraw/zinc/71/46/67/489714667.db2.gz SSIZESHLGHHBIF-LJQANCHMSA-N 2 0 368.522 0.899 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132441 489719716 /nfs/dbraw/zinc/71/97/16/489719716.db2.gz IOEYTCHPHMFSDW-YJBOKZPZSA-N 2 0 353.511 0.713 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132439 489719775 /nfs/dbraw/zinc/71/97/75/489719775.db2.gz IOEYTCHPHMFSDW-QAPCUYQASA-N 2 0 353.511 0.713 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418752636 489721689 /nfs/dbraw/zinc/72/16/89/489721689.db2.gz BYUHFKJHFDHHTN-QGZVFWFLSA-N 2 0 351.470 0.803 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418760965 489722831 /nfs/dbraw/zinc/72/28/31/489722831.db2.gz FPZWVYDVFBRJHI-HOTGVXAUSA-N 2 0 351.495 0.467 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418786501 489726634 /nfs/dbraw/zinc/72/66/34/489726634.db2.gz RZTXQMRJJQYMEU-UHFFFAOYSA-N 2 0 361.490 0.122 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459379932 489730094 /nfs/dbraw/zinc/73/00/94/489730094.db2.gz YOHDUDXEHNVEEA-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418806874 489732315 /nfs/dbraw/zinc/73/23/15/489732315.db2.gz PDOSXZMRMVZJIG-MRXNPFEDSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@H]1NC(=O)N(CC[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000459467809 489733856 /nfs/dbraw/zinc/73/38/56/489733856.db2.gz QJIXYEOGXUBEFA-QGZVFWFLSA-N 2 0 373.501 0.676 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000490012468 489740893 /nfs/dbraw/zinc/74/08/93/489740893.db2.gz JMQLIXRVSLSAMV-MRXNPFEDSA-N 2 0 352.504 0.416 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000418828179 489741993 /nfs/dbraw/zinc/74/19/93/489741993.db2.gz CTWWMODIYDTXLY-INIZCTEOSA-N 2 0 362.474 0.611 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418827154 489742065 /nfs/dbraw/zinc/74/20/65/489742065.db2.gz BWOLIOXIKQJJFY-DOTOQJQBSA-N 2 0 374.485 0.756 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000418827136 489742277 /nfs/dbraw/zinc/74/22/77/489742277.db2.gz BWCIUYJFZJXUCJ-FGTMMUONSA-N 2 0 358.486 0.628 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000418831642 489744148 /nfs/dbraw/zinc/74/41/48/489744148.db2.gz LLNDAIHYPVPBRZ-GOSISDBHSA-N 2 0 374.485 0.674 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418837667 489748101 /nfs/dbraw/zinc/74/81/01/489748101.db2.gz BBBLKRORYLDBFB-SFHVURJKSA-N 2 0 374.485 0.840 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000418837883 489748348 /nfs/dbraw/zinc/74/83/48/489748348.db2.gz BIDHSEHQTMHIQA-CJNGLKHVSA-N 2 0 350.463 0.386 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000418839127 489749131 /nfs/dbraw/zinc/74/91/31/489749131.db2.gz DBRSFPIFLMMQBE-IAGOWNOFSA-N 2 0 360.458 0.126 20 0 FCADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430586776 489749540 /nfs/dbraw/zinc/74/95/40/489749540.db2.gz XJHCQJCCDXDTGM-UHFFFAOYSA-N 2 0 362.474 0.886 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000430602103 489750295 /nfs/dbraw/zinc/75/02/95/489750295.db2.gz GFPLQPTUMQBXLU-CHWSQXEVSA-N 2 0 364.412 0.574 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418841017 489751393 /nfs/dbraw/zinc/75/13/93/489751393.db2.gz GAOHCYPXZQBMCR-VYDXJSESSA-N 2 0 362.474 0.800 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418841016 489751443 /nfs/dbraw/zinc/75/14/43/489751443.db2.gz GAOHCYPXZQBMCR-UXLLHSPISA-N 2 0 362.474 0.800 20 0 FCADRP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608214 489752124 /nfs/dbraw/zinc/75/21/24/489752124.db2.gz DTBFLYKDOFQQFR-ZBFHGGJFSA-N 2 0 362.474 0.487 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000418842262 489752408 /nfs/dbraw/zinc/75/24/08/489752408.db2.gz BEKSDSUJVMGPBT-SJLPKXTDSA-N 2 0 374.485 0.769 20 0 FCADRP C[N@H+](CCC(=O)N1CCc2sccc2C1)CC(=O)N1CC[NH2+]CC1 ZINC000430606613 489752468 /nfs/dbraw/zinc/75/24/68/489752468.db2.gz WXTABJJTEFNMSC-UHFFFAOYSA-N 2 0 350.488 0.387 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430609992 489752572 /nfs/dbraw/zinc/75/25/72/489752572.db2.gz JGNDXZMZRNZCTL-SJLPKXTDSA-N 2 0 358.486 0.967 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418842044 489752586 /nfs/dbraw/zinc/75/25/86/489752586.db2.gz HEFGVFZFFFGQQL-SFHVURJKSA-N 2 0 356.470 0.803 20 0 FCADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613388 489753364 /nfs/dbraw/zinc/75/33/64/489753364.db2.gz WGPHWRHEXHPBHC-IKGGRYGDSA-N 2 0 368.522 0.485 20 0 FCADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613389 489753804 /nfs/dbraw/zinc/75/38/04/489753804.db2.gz WGPHWRHEXHPBHC-IXDOHACOSA-N 2 0 368.522 0.485 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000418847242 489753960 /nfs/dbraw/zinc/75/39/60/489753960.db2.gz IXKFNUSABAXQFK-MSOLQXFVSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618295 489754888 /nfs/dbraw/zinc/75/48/88/489754888.db2.gz SOFXRLAWFRVHLA-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)c1 ZINC000418850193 489755308 /nfs/dbraw/zinc/75/53/08/489755308.db2.gz DWHZMHQEHJPAMQ-QAPCUYQASA-N 2 0 374.485 0.769 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000418852532 489757771 /nfs/dbraw/zinc/75/77/71/489757771.db2.gz QYOCFZSEXRIVPN-NVXWUHKLSA-N 2 0 374.485 0.817 20 0 FCADRP C[N@H+](CCC(=O)NCc1ccccc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430626343 489757764 /nfs/dbraw/zinc/75/77/64/489757764.db2.gz LYBIXURDKOITML-UHFFFAOYSA-N 2 0 352.866 0.710 20 0 FCADRP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630641 489757982 /nfs/dbraw/zinc/75/79/82/489757982.db2.gz RSUITSAAGGAYJT-FUHWJXTLSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430632674 489759255 /nfs/dbraw/zinc/75/92/55/489759255.db2.gz ZAOPKQNWAFQKGN-CHWSQXEVSA-N 2 0 368.503 0.570 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418855262 489759749 /nfs/dbraw/zinc/75/97/49/489759749.db2.gz UPKBUBJWEDAZGK-CADBVGFASA-N 2 0 372.513 0.861 20 0 FCADRP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641199 489760513 /nfs/dbraw/zinc/76/05/13/489760513.db2.gz IHBGYGPVOVKCBM-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418857102 489760712 /nfs/dbraw/zinc/76/07/12/489760712.db2.gz YCULTNPKVAJECQ-SZMVWBNQSA-N 2 0 360.502 0.780 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418858060 489761183 /nfs/dbraw/zinc/76/11/83/489761183.db2.gz IJSVMNCKJYYMMG-ZIAGYGMSSA-N 2 0 350.488 0.951 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC2CCC([NH3+])CC2)[NH+](C)C)c1 ZINC000418858492 489761406 /nfs/dbraw/zinc/76/14/06/489761406.db2.gz JOCNTROVMLFZOD-VMBOVVBDSA-N 2 0 362.474 0.800 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC2CCC([NH3+])CC2)[NH+](C)C)c1 ZINC000418858491 489761635 /nfs/dbraw/zinc/76/16/35/489761635.db2.gz JOCNTROVMLFZOD-DQPZFDDXSA-N 2 0 362.474 0.800 20 0 FCADRP CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642958 489761836 /nfs/dbraw/zinc/76/18/36/489761836.db2.gz WCFLZMXNHMCZTL-OAHLLOKOSA-N 2 0 364.515 0.850 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418863593 489763453 /nfs/dbraw/zinc/76/34/53/489763453.db2.gz PMPBCHGPDMYEKM-DLBZAZTESA-N 2 0 360.458 0.044 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418863726 489764021 /nfs/dbraw/zinc/76/40/21/489764021.db2.gz PQXHNWGORLPZSX-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418863596 489764100 /nfs/dbraw/zinc/76/41/00/489764100.db2.gz PMPBCHGPDMYEKM-IAGOWNOFSA-N 2 0 360.458 0.044 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472355 489765392 /nfs/dbraw/zinc/76/53/92/489765392.db2.gz NVBPVBXDCHMXOA-IRXDYDNUSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000418867550 489765677 /nfs/dbraw/zinc/76/56/77/489765677.db2.gz UUGOZKNPMIVZHX-MGPQQGTHSA-N 2 0 350.488 0.807 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000430711213 489765872 /nfs/dbraw/zinc/76/58/72/489765872.db2.gz DNLCGGZJTNYRJP-PVAVHDDUSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000418870738 489768167 /nfs/dbraw/zinc/76/81/67/489768167.db2.gz SOYLDSGUWXOGBM-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[NH+](C)C)c1 ZINC000418870254 489768187 /nfs/dbraw/zinc/76/81/87/489768187.db2.gz YDVJDRZMAZSGHX-COXVUDFISA-N 2 0 362.474 0.610 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC000418871324 489768190 /nfs/dbraw/zinc/76/81/90/489768190.db2.gz ZQTGBQNZWRFPCD-SOLBZPMBSA-N 2 0 374.485 0.767 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](C)C)c1 ZINC000418870639 489768205 /nfs/dbraw/zinc/76/82/05/489768205.db2.gz YOKIZORUNVUQQH-PXNSSMCTSA-N 2 0 374.485 0.626 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418873649 489768682 /nfs/dbraw/zinc/76/86/82/489768682.db2.gz IICKKEGSKJTALY-BZSNNMDCSA-N 2 0 358.486 0.343 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418879948 489772737 /nfs/dbraw/zinc/77/27/37/489772737.db2.gz OFWMGQWICXTCLM-HZPDHXFCSA-N 2 0 356.511 0.435 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418881708 489773110 /nfs/dbraw/zinc/77/31/10/489773110.db2.gz RNLUPBUESNESPF-VYDXJSESSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418883349 489774321 /nfs/dbraw/zinc/77/43/21/489774321.db2.gz UZSHUKHEUVYPOY-MSOLQXFVSA-N 2 0 374.485 0.080 20 0 FCADRP Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(CC(C)C)CC3)CC2)c1 ZINC000459868608 489774768 /nfs/dbraw/zinc/77/47/68/489774768.db2.gz PHBRMDVVLDAZPG-UHFFFAOYSA-N 2 0 373.501 0.839 20 0 FCADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000430918565 489777126 /nfs/dbraw/zinc/77/71/26/489777126.db2.gz HXJTXRAPGNLJLV-UHFFFAOYSA-N 2 0 364.515 0.964 20 0 FCADRP COC1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000431009016 489784081 /nfs/dbraw/zinc/78/40/81/489784081.db2.gz VLEISYJUTDGKRE-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000376725414 489784631 /nfs/dbraw/zinc/78/46/31/489784631.db2.gz BFYGBVMRRWFNMR-YYIAUSFCSA-N 2 0 354.495 0.648 20 0 FCADRP O=C(C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459900982 489785900 /nfs/dbraw/zinc/78/59/00/489785900.db2.gz SWFLJTORALOAQY-GOSISDBHSA-N 2 0 360.502 0.936 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000459913818 489789688 /nfs/dbraw/zinc/78/96/88/489789688.db2.gz XJNYFZREEACMIL-UHFFFAOYSA-N 2 0 370.538 0.338 20 0 FCADRP O=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459918736 489793132 /nfs/dbraw/zinc/79/31/32/489793132.db2.gz SQFAXNBMMGMYJN-GOSISDBHSA-N 2 0 360.502 0.936 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000418928348 489793776 /nfs/dbraw/zinc/79/37/76/489793776.db2.gz VGMJCLIDQDGDRK-KRWDZBQOSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000459921867 489793846 /nfs/dbraw/zinc/79/38/46/489793846.db2.gz PPEUGRYETRVVPX-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000418937176 489796251 /nfs/dbraw/zinc/79/62/51/489796251.db2.gz FRFCJBMAUJOMJY-GDBMZVCRSA-N 2 0 362.474 0.464 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccco1 ZINC000418941381 489798622 /nfs/dbraw/zinc/79/86/22/489798622.db2.gz KJSMKYCDVSMACB-RBSFLKMASA-N 2 0 350.463 0.974 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298275 489800281 /nfs/dbraw/zinc/80/02/81/489800281.db2.gz TVYYDTYQQSAQBA-RDJZCZTQSA-N 2 0 365.522 0.761 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418950412 489801933 /nfs/dbraw/zinc/80/19/33/489801933.db2.gz HCYONHLFYSYPAM-IKGGRYGDSA-N 2 0 368.522 0.360 20 0 FCADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000431373686 489803185 /nfs/dbraw/zinc/80/31/85/489803185.db2.gz CXPOANDFRXSNIE-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000418955612 489803343 /nfs/dbraw/zinc/80/33/43/489803343.db2.gz XZJMDZNRMSLZHW-NXHRZFHOSA-N 2 0 358.486 0.691 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1F ZINC000418960948 489805593 /nfs/dbraw/zinc/80/55/93/489805593.db2.gz JIJUNBPQWDSILR-ZBFHGGJFSA-N 2 0 362.449 0.571 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418962669 489805655 /nfs/dbraw/zinc/80/56/55/489805655.db2.gz LEXQWNJMDAKPJM-KRWDZBQOSA-N 2 0 374.485 0.646 20 0 FCADRP COC(=O)C[C@@]1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000475131203 489806978 /nfs/dbraw/zinc/80/69/78/489806978.db2.gz YRYOBUZGULXRFH-APWZRJJASA-N 2 0 363.458 0.717 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418970100 489807427 /nfs/dbraw/zinc/80/74/27/489807427.db2.gz WCDXVDSOUWVQRO-HNNXBMFYSA-N 2 0 362.474 0.631 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418970102 489807598 /nfs/dbraw/zinc/80/75/98/489807598.db2.gz WCHDMDIFSBTAKO-GZIXRCOHSA-N 2 0 362.449 0.678 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418981003 489809061 /nfs/dbraw/zinc/80/90/61/489809061.db2.gz GDBQNRQBVUTYHY-XJKSGUPXSA-N 2 0 362.474 0.594 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000459995463 489811338 /nfs/dbraw/zinc/81/13/38/489811338.db2.gz OIEMYZBUDFXGDC-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459997185 489813154 /nfs/dbraw/zinc/81/31/54/489813154.db2.gz SIZNQBWBISPAKX-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000418999070 489813410 /nfs/dbraw/zinc/81/34/10/489813410.db2.gz NADJZVISBRPTJJ-YESZJQIVSA-N 2 0 350.507 0.810 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000459997770 489813441 /nfs/dbraw/zinc/81/34/41/489813441.db2.gz UDZYACVWAPLRAF-ZWKOTPCHSA-N 2 0 364.534 0.977 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419005834 489815039 /nfs/dbraw/zinc/81/50/39/489815039.db2.gz RUYBNMBCXXVZMC-KRWDZBQOSA-N 2 0 362.474 0.119 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005025 489815058 /nfs/dbraw/zinc/81/50/58/489815058.db2.gz RKUHUFALVYBTFC-HUUCEWRRSA-N 2 0 354.495 0.454 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419017887 489819435 /nfs/dbraw/zinc/81/94/35/489819435.db2.gz OVIGMEWJEXSYPD-KDURUIRLSA-N 2 0 370.497 0.967 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419019639 489820170 /nfs/dbraw/zinc/82/01/70/489820170.db2.gz QTCFYGKANWQCJS-AEFFLSMTSA-N 2 0 356.470 0.719 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000419021616 489820647 /nfs/dbraw/zinc/82/06/47/489820647.db2.gz UAYXLHUTNIQYAG-MRXNPFEDSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419023945 489822646 /nfs/dbraw/zinc/82/26/46/489822646.db2.gz KMIDDWJGBBIBSF-FQESAXDCSA-N 2 0 364.534 0.973 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033138 489826190 /nfs/dbraw/zinc/82/61/90/489826190.db2.gz XVBHSRQTLUWIKS-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033680 489826798 /nfs/dbraw/zinc/82/67/98/489826798.db2.gz YPKFTTHTHCADDD-BZUAXINKSA-N 2 0 352.523 0.975 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419034209 489827806 /nfs/dbraw/zinc/82/78/06/489827806.db2.gz DITGMQYADMTMGP-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000419038392 489829549 /nfs/dbraw/zinc/82/95/49/489829549.db2.gz SGBRBRXWPQDRDQ-OAHLLOKOSA-N 2 0 368.547 0.708 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419043387 489831211 /nfs/dbraw/zinc/83/12/11/489831211.db2.gz JLRCPGKIZMVJDR-BGTYHANMSA-N 2 0 356.470 0.616 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419043373 489831222 /nfs/dbraw/zinc/83/12/22/489831222.db2.gz JIDXRSAFHDHRAG-WBVHZDCISA-N 2 0 362.474 0.290 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+](C)C3CC3)CC2)CCO1 ZINC000460047561 489831769 /nfs/dbraw/zinc/83/17/69/489831769.db2.gz FWYYVVMRBKQANE-OAHLLOKOSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419046334 489833186 /nfs/dbraw/zinc/83/31/86/489833186.db2.gz PRDZBCMMBVANLY-DJIMGWMZSA-N 2 0 360.458 0.043 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419047957 489834414 /nfs/dbraw/zinc/83/44/14/489834414.db2.gz UTRJNKGHZAZSOE-HYVNUMGLSA-N 2 0 360.458 0.124 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419067863 489843117 /nfs/dbraw/zinc/84/31/17/489843117.db2.gz GZTSCTZVLSQLRT-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068563 489843385 /nfs/dbraw/zinc/84/33/85/489843385.db2.gz FQLUYWQVSYLKFN-RHSMWYFYSA-N 2 0 364.490 1.000 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1cccc(OC)c1 ZINC000419081774 489849484 /nfs/dbraw/zinc/84/94/84/489849484.db2.gz OWDFNWMZIYGKHG-QGZVFWFLSA-N 2 0 362.474 0.530 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087551 489851324 /nfs/dbraw/zinc/85/13/24/489851324.db2.gz ZZJUYEXUXURQNO-NVXWUHKLSA-N 2 0 362.474 0.672 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000419100877 489856382 /nfs/dbraw/zinc/85/63/82/489856382.db2.gz CHTXRMDTRINCLT-LXZKKBNFSA-N 2 0 362.449 0.699 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000460250701 489858018 /nfs/dbraw/zinc/85/80/18/489858018.db2.gz LDNDLCSHTWZOHM-SFHVURJKSA-N 2 0 350.463 0.493 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000476028677 489862255 /nfs/dbraw/zinc/86/22/55/489862255.db2.gz CUQCHPJBTUXOEF-QGZVFWFLSA-N 2 0 356.511 0.896 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419118031 489863730 /nfs/dbraw/zinc/86/37/30/489863730.db2.gz NIMLADNECRCCSR-ZFWWWQNUSA-N 2 0 354.495 0.452 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@H](O)COc2ccc(F)cc2)CC1 ZINC000433128660 489867870 /nfs/dbraw/zinc/86/78/70/489867870.db2.gz BIQVQDBLVCLVBB-INIZCTEOSA-N 2 0 353.438 0.885 20 0 FCADRP CN(CCc1ccccn1)C(=O)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151051 489869121 /nfs/dbraw/zinc/86/91/21/489869121.db2.gz YLMOWEZYWWFYJL-UHFFFAOYSA-N 2 0 361.490 0.402 20 0 FCADRP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166136 489869393 /nfs/dbraw/zinc/86/93/93/489869393.db2.gz DYARIWABPGTYIS-HNNXBMFYSA-N 2 0 365.522 0.001 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206823 489872369 /nfs/dbraw/zinc/87/23/69/489872369.db2.gz IMLDODVADLGZIP-IAGOWNOFSA-N 2 0 373.563 0.649 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC1=CC[NH+](C)CC1)C2 ZINC000377256693 489875747 /nfs/dbraw/zinc/87/57/47/489875747.db2.gz UBLGIFUCAGHQTN-ALOPSCKCSA-N 2 0 363.506 0.631 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419993965 489875960 /nfs/dbraw/zinc/87/59/60/489875960.db2.gz KZURVQYXINDFQF-RBSFLKMASA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433334986 489876621 /nfs/dbraw/zinc/87/66/21/489876621.db2.gz JQIIVYMRRSPVPL-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000433383834 489880699 /nfs/dbraw/zinc/88/06/99/489880699.db2.gz UMYRCTCJZWPWHJ-ZNMIVQPWSA-N 2 0 350.467 0.432 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433396314 489881286 /nfs/dbraw/zinc/88/12/86/489881286.db2.gz VYYBNVOTBDAKFW-HNNXBMFYSA-N 2 0 362.478 0.577 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433420894 489882220 /nfs/dbraw/zinc/88/22/20/489882220.db2.gz GZHQMYHGRDRXHR-LSDHHAIUSA-N 2 0 350.467 0.289 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420018749 489882306 /nfs/dbraw/zinc/88/23/06/489882306.db2.gz PYHDGHDIHHBRJD-OWCLPIDISA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420023537 489884427 /nfs/dbraw/zinc/88/44/27/489884427.db2.gz APYFMTBDZPXELU-RBSFLKMASA-N 2 0 354.495 0.310 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000420030898 489887299 /nfs/dbraw/zinc/88/72/99/489887299.db2.gz QJDCRBCZRJNIBT-INIZCTEOSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420040323 489890891 /nfs/dbraw/zinc/89/08/91/489890891.db2.gz AAEOYDRDLPKYMR-UHFFFAOYSA-N 2 0 356.417 0.709 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420052648 489894693 /nfs/dbraw/zinc/89/46/93/489894693.db2.gz FWFWUGUUQOSOFE-LSDHHAIUSA-N 2 0 368.522 0.796 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420088781 489907135 /nfs/dbraw/zinc/90/71/35/489907135.db2.gz INQARNYWRQEJAW-GJZGRUSLSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](Cc1ccccc1C[N@@H+](C)[C@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000461381442 489907631 /nfs/dbraw/zinc/90/76/31/489907631.db2.gz NLCFJMNIPIUKPG-BGYRXZFFSA-N 2 0 364.486 0.853 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000564064062 491286570 /nfs/dbraw/zinc/28/65/70/491286570.db2.gz CGNVQQJMMWFLRX-CYBMUJFWSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097733 489911434 /nfs/dbraw/zinc/91/14/34/489911434.db2.gz AJZFFRZNUVKEBU-WMLDXEAASA-N 2 0 364.465 0.973 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420099749 489912266 /nfs/dbraw/zinc/91/22/66/489912266.db2.gz YPZNKKRLMMGZJG-IYBDPMFKSA-N 2 0 365.522 0.001 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000420129041 489922852 /nfs/dbraw/zinc/92/28/52/489922852.db2.gz VFRTXCLLFFYPQA-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000377575214 489923833 /nfs/dbraw/zinc/92/38/33/489923833.db2.gz MAJKZEXMBGGPFE-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)C2)CC1 ZINC000420135301 489925097 /nfs/dbraw/zinc/92/50/97/489925097.db2.gz GRJRTRZJGHHELU-GOSISDBHSA-N 2 0 362.518 0.993 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420155877 489933948 /nfs/dbraw/zinc/93/39/48/489933948.db2.gz FBIBJPOCZNFYQE-CVEARBPZSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477081554 489939755 /nfs/dbraw/zinc/93/97/55/489939755.db2.gz LZFKVAQKKCEDNZ-HRCADAONSA-N 2 0 356.511 0.448 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000420187465 489945102 /nfs/dbraw/zinc/94/51/02/489945102.db2.gz RJQYUFNLNALNFN-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000420201223 489950264 /nfs/dbraw/zinc/95/02/64/489950264.db2.gz NDCZBCDTWRUQIK-IAGOWNOFSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420205960 489952107 /nfs/dbraw/zinc/95/21/07/489952107.db2.gz JMJDMXPJHPPHFT-TWMKSMIVSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420207297 489953220 /nfs/dbraw/zinc/95/32/20/489953220.db2.gz UGADWZSMYUSETN-IKGGRYGDSA-N 2 0 366.506 0.204 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477263248 489954242 /nfs/dbraw/zinc/95/42/42/489954242.db2.gz JMGQKTKYOBOVRP-MAUKXSAKSA-N 2 0 356.511 0.308 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000377772734 489956226 /nfs/dbraw/zinc/95/62/26/489956226.db2.gz QFSJJKKLBBDTPP-SFHVURJKSA-N 2 0 368.522 0.851 20 0 FCADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1S(N)(=O)=O ZINC000420306920 489961509 /nfs/dbraw/zinc/96/15/09/489961509.db2.gz HZJKPNRLTVEDPT-ZDUSSCGKSA-N 2 0 354.476 0.642 20 0 FCADRP [NH3+]C[C@H]1CN(CC(=O)NC(=O)NC2CCCCC2)CC12CCOCC2 ZINC000420319522 489962584 /nfs/dbraw/zinc/96/25/84/489962584.db2.gz AKGMOCHQRZBUFL-AWEZNQCLSA-N 2 0 352.479 0.832 20 0 FCADRP Cc1cccc2nc(CN3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000420320206 489962947 /nfs/dbraw/zinc/96/29/47/489962947.db2.gz YNRPMUZLRSRPQV-MRXNPFEDSA-N 2 0 357.458 0.822 20 0 FCADRP NC(=O)CCN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000420329374 489963744 /nfs/dbraw/zinc/96/37/44/489963744.db2.gz GMYBWGRXEBEYBH-GASCZTMLSA-N 2 0 362.449 0.966 20 0 FCADRP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420408816 489972330 /nfs/dbraw/zinc/97/23/30/489972330.db2.gz WZLKZGHSUTVWFQ-UHFFFAOYSA-N 2 0 353.438 0.839 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420409914 489972485 /nfs/dbraw/zinc/97/24/85/489972485.db2.gz XPJCMNRJWMHVOI-DLBZAZTESA-N 2 0 352.523 0.820 20 0 FCADRP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406155 489972544 /nfs/dbraw/zinc/97/25/44/489972544.db2.gz QEPXXNHQKYDYAU-CABCVRRESA-N 2 0 363.458 0.459 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000477583824 489974570 /nfs/dbraw/zinc/97/45/70/489974570.db2.gz ZNHWBQYPLHNJCC-MRXNPFEDSA-N 2 0 355.504 0.873 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556076671 491292306 /nfs/dbraw/zinc/29/23/06/491292306.db2.gz SUWOHAHNAKTLDO-QGZVFWFLSA-N 2 0 371.485 0.515 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000477612228 489977830 /nfs/dbraw/zinc/97/78/30/489977830.db2.gz FELLLLULDOPWRU-KRWDZBQOSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000477639273 489980405 /nfs/dbraw/zinc/98/04/05/489980405.db2.gz FBMQASONTLJSMC-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CCOC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1C ZINC000420460486 489981026 /nfs/dbraw/zinc/98/10/26/489981026.db2.gz SKDRGOOEXJJCSG-UHFFFAOYSA-N 2 0 357.476 0.860 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477652913 489981923 /nfs/dbraw/zinc/98/19/23/489981923.db2.gz OCNZPOISDNADIW-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962000 489988431 /nfs/dbraw/zinc/98/84/31/489988431.db2.gz SRUQFWJVWUSVIB-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420801333 490022858 /nfs/dbraw/zinc/02/28/58/490022858.db2.gz KHHDBSMAQMNVLP-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000564232360 491295510 /nfs/dbraw/zinc/29/55/10/491295510.db2.gz UTVAECOWIFLJLR-UHFFFAOYSA-N 2 0 352.454 0.702 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000440943527 490049963 /nfs/dbraw/zinc/04/99/63/490049963.db2.gz YPLYQIVTYQFMLW-UHFFFAOYSA-N 2 0 368.441 1.293 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378322098 490050186 /nfs/dbraw/zinc/05/01/86/490050186.db2.gz ZYKXVLZAYZQGRP-FQEVSTJZSA-N 2 0 372.513 0.649 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061400 490066091 /nfs/dbraw/zinc/06/60/91/490066091.db2.gz ROELBQQQTDYZMM-STQMWFEESA-N 2 0 354.476 0.722 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000464955940 490074311 /nfs/dbraw/zinc/07/43/11/490074311.db2.gz ZMJDAJBOANARQZ-HOTGVXAUSA-N 2 0 353.511 0.603 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955941 490074345 /nfs/dbraw/zinc/07/43/45/490074345.db2.gz ZMJDAJBOANARQZ-HZPDHXFCSA-N 2 0 353.511 0.603 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000506372983 490082959 /nfs/dbraw/zinc/08/29/59/490082959.db2.gz RPDCXFIRBRCTNW-SOLBZPMBSA-N 2 0 356.511 0.366 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000506372982 490083184 /nfs/dbraw/zinc/08/31/84/490083184.db2.gz RPDCXFIRBRCTNW-LZLYRXPVSA-N 2 0 356.511 0.366 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000545171029 490090387 /nfs/dbraw/zinc/09/03/87/490090387.db2.gz GRWWPKIHEPFEEK-FQEVSTJZSA-N 2 0 374.485 0.446 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000564290480 491298483 /nfs/dbraw/zinc/29/84/83/491298483.db2.gz JAEAKSJAHXPTPJ-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519097 490098435 /nfs/dbraw/zinc/09/84/35/490098435.db2.gz SMFQYRURQGRJGR-UONOGXRCSA-N 2 0 370.519 0.831 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496393494 490116098 /nfs/dbraw/zinc/11/60/98/490116098.db2.gz IOTVRORBUDCGCT-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000556174404 491300520 /nfs/dbraw/zinc/30/05/20/491300520.db2.gz KWOOOLDALSSJFU-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569474 490130923 /nfs/dbraw/zinc/13/09/23/490130923.db2.gz NFJKCLJKRBKDDC-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000520377449 490141036 /nfs/dbraw/zinc/14/10/36/490141036.db2.gz LTHWMTWTLWCMBV-HUUCEWRRSA-N 2 0 368.865 0.245 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000465840918 490146866 /nfs/dbraw/zinc/14/68/66/490146866.db2.gz KIAHFFAYRDRSGI-IXDOHACOSA-N 2 0 365.522 0.807 20 0 FCADRP CNC(=O)NC(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000532969924 490147200 /nfs/dbraw/zinc/14/72/00/490147200.db2.gz OTNCEWYOCQRJKD-UHFFFAOYSA-N 2 0 369.510 0.248 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556206801 491302876 /nfs/dbraw/zinc/30/28/76/491302876.db2.gz NXILGLPPOASTRR-YJBOKZPZSA-N 2 0 370.563 0.634 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480030203 490152055 /nfs/dbraw/zinc/15/20/55/490152055.db2.gz IFSMYNWZHXWBTH-CVEARBPZSA-N 2 0 364.494 0.728 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556205759 491302977 /nfs/dbraw/zinc/30/29/77/491302977.db2.gz IONDSYQECYFYLY-QGZVFWFLSA-N 2 0 358.552 0.730 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000465950500 490156646 /nfs/dbraw/zinc/15/66/46/490156646.db2.gz OTGKMFGZCROFOW-QZTJIDSGSA-N 3 0 369.554 0.765 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000506939885 490156818 /nfs/dbraw/zinc/15/68/18/490156818.db2.gz LGVWLBVAHOBVAO-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000465964757 490158471 /nfs/dbraw/zinc/15/84/71/490158471.db2.gz ZTUURYFJOIAMDU-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000520550292 490162574 /nfs/dbraw/zinc/16/25/74/490162574.db2.gz BQLZYZDNSLFYNS-GEEKYZPCSA-N 2 0 350.507 0.537 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000466097134 490164598 /nfs/dbraw/zinc/16/45/98/490164598.db2.gz CWCMAIGZGZRIGG-INIZCTEOSA-N 2 0 353.511 0.747 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000422126870 490178182 /nfs/dbraw/zinc/17/81/82/490178182.db2.gz XHERRUPVGZLLAB-HNNXBMFYSA-N 2 0 350.463 0.722 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355200 491310953 /nfs/dbraw/zinc/31/09/53/491310953.db2.gz POJBVOHARGQIQI-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000564452298 491308004 /nfs/dbraw/zinc/30/80/04/491308004.db2.gz BYUUKJJSEUOOKQ-KURKYZTESA-N 2 0 371.485 0.742 20 0 FCADRP CN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497827641 490220070 /nfs/dbraw/zinc/22/00/70/490220070.db2.gz HOJKPEIAOYEQQP-VPSFDDGASA-N 2 0 365.522 0.840 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000497945744 490236108 /nfs/dbraw/zinc/23/61/08/490236108.db2.gz CHVGKTRVLOWCDT-UKRRQHHQSA-N 2 0 355.504 0.994 20 0 FCADRP COC(=O)c1ccccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000533554934 490255645 /nfs/dbraw/zinc/25/56/45/490255645.db2.gz QKLDBZXONKNKRJ-UHFFFAOYSA-N 2 0 357.476 0.587 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCCC1 ZINC000556372809 491312796 /nfs/dbraw/zinc/31/27/96/491312796.db2.gz YRIAYAQYLNYOEC-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422374198 490286233 /nfs/dbraw/zinc/28/62/33/490286233.db2.gz CEEMCSMASCWNIE-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1=CC[N@H+](C)CC1 ZINC000571555500 491315681 /nfs/dbraw/zinc/31/56/81/491315681.db2.gz QCIDNWPJPPCSEV-HNNXBMFYSA-N 2 0 350.507 0.991 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456084 490330508 /nfs/dbraw/zinc/33/05/08/490330508.db2.gz PWYKCDNQNYRKIL-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000522035614 490332561 /nfs/dbraw/zinc/33/25/61/490332561.db2.gz BJOBYHCFQMRCIX-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483800773 490345631 /nfs/dbraw/zinc/34/56/31/490345631.db2.gz PRCPTVGSFRCAAY-MRXNPFEDSA-N 2 0 355.527 0.375 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484088 490351148 /nfs/dbraw/zinc/35/11/48/490351148.db2.gz BWIWKBXXKMHBSO-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000422488432 490353318 /nfs/dbraw/zinc/35/33/18/490353318.db2.gz NBJQGEQTKHWOTB-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCC1 ZINC000448499079 490357607 /nfs/dbraw/zinc/35/76/07/490357607.db2.gz MFMKTHFOINLRBA-OAHLLOKOSA-N 2 0 364.494 0.620 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927747 490357978 /nfs/dbraw/zinc/35/79/78/490357978.db2.gz OMMZCKOAQLUKCD-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422496346 490360615 /nfs/dbraw/zinc/36/06/15/490360615.db2.gz TZKWQCPQNHYVQW-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564686855 491320629 /nfs/dbraw/zinc/32/06/29/491320629.db2.gz JOHMPBQKRYIFHL-XHSDSOJGSA-N 2 0 366.506 0.369 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410993829 490377901 /nfs/dbraw/zinc/37/79/01/490377901.db2.gz ZEZSLOLMPTXESF-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000484063588 490378443 /nfs/dbraw/zinc/37/84/43/490378443.db2.gz FDFBTFYNLPAHAW-IAGOWNOFSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000449351136 490411508 /nfs/dbraw/zinc/41/15/08/490411508.db2.gz YFOIQRSFZOIEIV-CRAIPNDOSA-N 2 0 358.486 0.984 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)O1 ZINC000509337367 490418295 /nfs/dbraw/zinc/41/82/95/490418295.db2.gz JLUMHJRKBQZIGI-CVEARBPZSA-N 2 0 362.478 0.001 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706648 490424838 /nfs/dbraw/zinc/42/48/38/490424838.db2.gz OAGCWESUNYXMEX-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422637384 490437747 /nfs/dbraw/zinc/43/77/47/490437747.db2.gz ONTRATHHMMYVIW-JUVOFCAFSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000422637385 490438098 /nfs/dbraw/zinc/43/80/98/490438098.db2.gz ONTRATHHMMYVIW-NUWOQIAWSA-N 2 0 368.522 0.591 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000571747444 491326501 /nfs/dbraw/zinc/32/65/01/491326501.db2.gz AHQUAMZYAFCPIF-IXDOHACOSA-N 2 0 374.551 0.348 20 0 FCADRP O=C(C[NH+]1C2CCC1CC2)N1CCN(C(=O)C[NH+]2C3CCC2CC3)CC1 ZINC000564820441 491328384 /nfs/dbraw/zinc/32/83/84/491328384.db2.gz MGBLTJYVPFZWNP-UHFFFAOYSA-N 2 0 360.502 0.911 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000509831473 490468670 /nfs/dbraw/zinc/46/86/70/490468670.db2.gz CBKWCCBYCJJWGL-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)N(CC)CC)CC[NH2+]CC1 ZINC000422862245 490488501 /nfs/dbraw/zinc/48/85/01/490488501.db2.gz PMOUZZLZMPJYFM-CQSZACIVSA-N 2 0 363.524 0.569 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915765 490503249 /nfs/dbraw/zinc/50/32/49/490503249.db2.gz KAQMWNAKTJDUFE-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP O=C(NCCN1CCSCC1)NCC1(N2CCOCC2)CCOCC1 ZINC000556744382 491332459 /nfs/dbraw/zinc/33/24/59/491332459.db2.gz RICXXGGLCPKTHU-UHFFFAOYSA-N 2 0 372.535 0.216 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676469 490512213 /nfs/dbraw/zinc/51/22/13/490512213.db2.gz NYNCIMUIRRZYRZ-HNNXBMFYSA-N 2 0 360.462 0.923 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500432053 490514709 /nfs/dbraw/zinc/51/47/09/490514709.db2.gz MOFRXBBRCBEJII-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423033752 490526005 /nfs/dbraw/zinc/52/60/05/490526005.db2.gz GTHOUPYSMHFRBR-FUHWJXTLSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423054173 490529972 /nfs/dbraw/zinc/52/99/72/490529972.db2.gz BIJWTIIZPADESV-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485469036 490532101 /nfs/dbraw/zinc/53/21/01/490532101.db2.gz LYSARVNEVKFJFA-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063603 490533591 /nfs/dbraw/zinc/53/35/91/490533591.db2.gz WQSDPMSCCYFCIK-MSOLQXFVSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000524464400 490540261 /nfs/dbraw/zinc/54/02/61/490540261.db2.gz NCVZECCDHMAIFS-INIZCTEOSA-N 2 0 355.527 0.375 20 0 FCADRP C[NH+]1CCN(Cc2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000564911354 491335826 /nfs/dbraw/zinc/33/58/26/491335826.db2.gz WSUUZZUGEKTMSN-GOSISDBHSA-N 2 0 373.501 0.631 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)CC1=O ZINC000524775068 490558964 /nfs/dbraw/zinc/55/89/64/490558964.db2.gz OPVKVPMXPHTFRL-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000486041068 490586353 /nfs/dbraw/zinc/58/63/53/490586353.db2.gz LXZNOQNRGZCEDT-TXCZRRACSA-N 2 0 350.507 0.489 20 0 FCADRP CCC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000486034613 490586649 /nfs/dbraw/zinc/58/66/49/490586649.db2.gz GTMFXCOLYZTVRE-SIRPWMCASA-N 2 0 352.523 0.783 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958136 491339757 /nfs/dbraw/zinc/33/97/57/491339757.db2.gz JARNTSJVCMFVDJ-YOEHRIQHSA-N 2 0 362.474 0.769 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365758 490614806 /nfs/dbraw/zinc/61/48/06/490614806.db2.gz LBMSZGYOFSZGEL-FGTMMUONSA-N 2 0 352.523 0.438 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000549944651 490615470 /nfs/dbraw/zinc/61/54/70/490615470.db2.gz KLHSJJZWHQHWHP-MRXNPFEDSA-N 2 0 354.495 0.015 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643389 490629417 /nfs/dbraw/zinc/62/94/17/490629417.db2.gz VWVPXAJFXTWMAS-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501637636 490629618 /nfs/dbraw/zinc/62/96/18/490629618.db2.gz JFGINNWDLIUSEJ-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640400 490629706 /nfs/dbraw/zinc/62/97/06/490629706.db2.gz OZRAZTRSCANDNO-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000550129540 490630095 /nfs/dbraw/zinc/63/00/95/490630095.db2.gz ITCOBWLHXSYAFR-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@H](C[NH3+])C1 ZINC000564970566 491341742 /nfs/dbraw/zinc/34/17/42/491341742.db2.gz MCFCRPYVCPRTSI-LSDHHAIUSA-N 2 0 373.523 0.188 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001202 491341938 /nfs/dbraw/zinc/34/19/38/491341938.db2.gz BEWWFQKTKXAEDV-RBUKOAKNSA-N 2 0 359.518 0.385 20 0 FCADRP COCCO[C@H]1C[C@@H](CO)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848915 490646917 /nfs/dbraw/zinc/64/69/17/490646917.db2.gz HQSOZRSZAOARAS-MOPGFXCFSA-N 2 0 357.539 0.748 20 0 FCADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000537117740 490648336 /nfs/dbraw/zinc/64/83/36/490648336.db2.gz ZRLIPAWCFDGDJJ-DLBZAZTESA-N 2 0 361.552 0.322 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550266236 490649586 /nfs/dbraw/zinc/64/95/86/490649586.db2.gz SGTMSNHELPFORF-UHFFFAOYSA-N 3 0 369.554 0.364 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000486659258 490657691 /nfs/dbraw/zinc/65/76/91/490657691.db2.gz RZGAYTOLETZYRY-CVEARBPZSA-N 2 0 352.523 0.929 20 0 FCADRP COc1cc(OC)c(OC)cc1CNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000564985750 491343454 /nfs/dbraw/zinc/34/34/54/491343454.db2.gz MKSVHGYNWOGJJF-QEJZJMRPSA-N 2 0 363.458 0.998 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000550463837 490671471 /nfs/dbraw/zinc/67/14/71/490671471.db2.gz GGLYWSVOZHVZKU-MRXNPFEDSA-N 2 0 350.507 0.991 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465092 490671875 /nfs/dbraw/zinc/67/18/75/490671875.db2.gz XNTNTBFPNILNOG-WBVHZDCISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486807588 490673167 /nfs/dbraw/zinc/67/31/67/490673167.db2.gz ICOADIYTCKXIEZ-COZGXFGHSA-N 2 0 364.534 0.925 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000564997152 491345428 /nfs/dbraw/zinc/34/54/28/491345428.db2.gz YZRGZMHFKOLQMK-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C ZINC000486992129 490684825 /nfs/dbraw/zinc/68/48/25/490684825.db2.gz YRMMGGIEERDYOK-IZPLOLCNSA-N 2 0 364.534 0.830 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487048837 490689063 /nfs/dbraw/zinc/68/90/63/490689063.db2.gz QPHDVEYUWUURSG-UHDSXZAQSA-N 2 0 350.507 0.441 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168945 490699482 /nfs/dbraw/zinc/69/94/82/490699482.db2.gz WRYFIMVIGIQNJD-XJKSGUPXSA-N 2 0 368.503 0.663 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512830638 490700583 /nfs/dbraw/zinc/70/05/83/490700583.db2.gz BABROXNCJGSOCL-UHFFFAOYSA-N 2 0 355.527 0.114 20 0 FCADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1-n1cnnn1 ZINC000527126775 490700946 /nfs/dbraw/zinc/70/09/46/490700946.db2.gz KDAIQXGQFLNGNB-UHFFFAOYSA-N 2 0 360.466 0.928 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513242062 490716726 /nfs/dbraw/zinc/71/67/26/490716726.db2.gz XPPSHQURLGQIFE-YESZJQIVSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557025788 491350121 /nfs/dbraw/zinc/35/01/21/491350121.db2.gz RLYIJNYWYNODNS-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747369 490728814 /nfs/dbraw/zinc/72/88/14/490728814.db2.gz GETUXCZSQYADEX-OAHLLOKOSA-N 2 0 362.540 0.142 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)C ZINC000502994342 490734860 /nfs/dbraw/zinc/73/48/60/490734860.db2.gz HVUKVWIUFRXRTN-UHFFFAOYSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000488351138 490756848 /nfs/dbraw/zinc/75/68/48/490756848.db2.gz FBDSUBFROQVDCO-WCVJEAGWSA-N 2 0 350.507 0.537 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000488618718 490767635 /nfs/dbraw/zinc/76/76/35/490767635.db2.gz GQXDFTZXZSJZDF-QFBILLFUSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000539283772 490774977 /nfs/dbraw/zinc/77/49/77/490774977.db2.gz ZURZWKXNKXNAIX-KRWDZBQOSA-N 2 0 362.474 0.301 20 0 FCADRP COC(=O)CCN1CC[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320954 490776457 /nfs/dbraw/zinc/77/64/57/490776457.db2.gz XCMXTTJPYVUTOM-LUKYLMHMSA-N 2 0 357.495 0.026 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000514864588 490794459 /nfs/dbraw/zinc/79/44/59/490794459.db2.gz HSVMSWUTRPRARE-WMZOPIPTSA-N 2 0 372.517 0.978 20 0 FCADRP CC(C)[NH+](C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000540051788 490806322 /nfs/dbraw/zinc/80/63/22/490806322.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 2 0 358.552 0.727 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000515091343 490808197 /nfs/dbraw/zinc/80/81/97/490808197.db2.gz FEUXAVDJNRBMTP-CABCVRRESA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000515091345 490808320 /nfs/dbraw/zinc/80/83/20/490808320.db2.gz FEUXAVDJNRBMTP-HUUCEWRRSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322861 490817672 /nfs/dbraw/zinc/81/76/72/490817672.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 2 0 356.555 0.414 20 0 FCADRP CCN1CCOC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540469846 490823989 /nfs/dbraw/zinc/82/39/89/490823989.db2.gz NPIAWUSSLQHIEO-SFHVURJKSA-N 2 0 361.490 0.431 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000515528196 490830806 /nfs/dbraw/zinc/83/08/06/490830806.db2.gz PLAUSKYJPUKKOL-SJORKVTESA-N 2 0 366.506 0.300 20 0 FCADRP COC(=O)CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017614 490847828 /nfs/dbraw/zinc/84/78/28/490847828.db2.gz NRCHCRAASRITSB-UHFFFAOYSA-N 2 0 355.479 0.490 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506028615 490848191 /nfs/dbraw/zinc/84/81/91/490848191.db2.gz WIIVNKPVPCYTKA-UHFFFAOYSA-N 2 0 355.479 0.490 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000541077320 490849311 /nfs/dbraw/zinc/84/93/11/490849311.db2.gz OOZMFUXFKGCODW-UHFFFAOYSA-N 2 0 368.566 0.608 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000529308944 490849363 /nfs/dbraw/zinc/84/93/63/490849363.db2.gz WYZPVEFJEIVCAQ-MRXNPFEDSA-N 2 0 353.511 0.569 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529309051 490849377 /nfs/dbraw/zinc/84/93/77/490849377.db2.gz YHAJKTVUQRHQEV-IRXDYDNUSA-N 2 0 353.511 0.032 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000529339530 490854693 /nfs/dbraw/zinc/85/46/93/490854693.db2.gz LCMNVWRIZMPGKK-OIISXLGYSA-N 2 0 350.438 0.806 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529342739 490855395 /nfs/dbraw/zinc/85/53/95/490855395.db2.gz XKRUTNGEJKIYEJ-HNNXBMFYSA-N 2 0 366.510 0.117 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215657 490857455 /nfs/dbraw/zinc/85/74/55/490857455.db2.gz AYSUDEZZVXIKTE-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000529374875 490857787 /nfs/dbraw/zinc/85/77/87/490857787.db2.gz OQNDBPBESNRZPN-QGZVFWFLSA-N 2 0 362.474 0.901 20 0 FCADRP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000516541336 490867168 /nfs/dbraw/zinc/86/71/68/490867168.db2.gz CMIZRPBCLDZZSY-MRXNPFEDSA-N 2 0 350.463 0.627 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000516650387 490873010 /nfs/dbraw/zinc/87/30/10/490873010.db2.gz USWVHRTVDOOZFI-MRXNPFEDSA-N 2 0 361.490 0.961 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000557255088 491362933 /nfs/dbraw/zinc/36/29/33/491362933.db2.gz RSWOLVFOBWIYIV-ULQDDVLXSA-N 2 0 365.522 0.605 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000557200037 491359305 /nfs/dbraw/zinc/35/93/05/491359305.db2.gz QUGNUQNYKULMSC-UHFFFAOYSA-N 2 0 365.522 0.764 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530654410 490917841 /nfs/dbraw/zinc/91/78/41/490917841.db2.gz NSAUBTVZESANOE-NRFANRHFSA-N 2 0 374.529 0.766 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000517738691 490918618 /nfs/dbraw/zinc/91/86/18/490918618.db2.gz OSLWDPHYBWLRJR-SJORKVTESA-N 2 0 363.506 0.563 20 0 FCADRP COC[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000517735885 490918653 /nfs/dbraw/zinc/91/86/53/490918653.db2.gz ASSYAEXWVMOTEO-FQEVSTJZSA-N 2 0 361.486 0.886 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000517998529 490927578 /nfs/dbraw/zinc/92/75/78/490927578.db2.gz YGNHREFEOARGIE-ZACQAIPSSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(F)cc1F ZINC000530881238 490929907 /nfs/dbraw/zinc/92/99/07/490929907.db2.gz GDXIWSVNEFJVLH-UHFFFAOYSA-N 2 0 356.417 0.646 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000518134230 490931271 /nfs/dbraw/zinc/93/12/71/490931271.db2.gz JXWOLDVUXVJLNN-OAHLLOKOSA-N 2 0 361.494 0.986 20 0 FCADRP CC[N@H+](CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000518290304 490935825 /nfs/dbraw/zinc/93/58/25/490935825.db2.gz GHPQXBJQQQQXEK-UHFFFAOYSA-N 2 0 353.511 0.713 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc(-c2ncccn2)no1 ZINC000531119102 490941616 /nfs/dbraw/zinc/94/16/16/490941616.db2.gz AIHYSXQVEXBVES-UHFFFAOYSA-N 2 0 361.450 0.411 20 0 FCADRP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295928 491365851 /nfs/dbraw/zinc/36/58/51/491365851.db2.gz VPHWTRIPOABBKM-XWTMOSNGSA-N 2 0 363.506 0.814 20 0 FCADRP C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300880 490951254 /nfs/dbraw/zinc/95/12/54/490951254.db2.gz XGKCPJFAUNTEQM-PXNSSMCTSA-N 2 0 361.486 0.708 20 0 FCADRP O=C(N1CC[NH+](C2CCOCC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531335568 490952499 /nfs/dbraw/zinc/95/24/99/490952499.db2.gz HBCWFIRULFDFDE-OAQYLSRUSA-N 2 0 373.497 0.947 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000531357938 490953535 /nfs/dbraw/zinc/95/35/35/490953535.db2.gz SVRLPABOSUWYLK-UHFFFAOYSA-N 2 0 352.454 0.897 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000519435388 490972094 /nfs/dbraw/zinc/97/20/94/490972094.db2.gz NYCIKROOKWPUDH-QGZVFWFLSA-N 2 0 356.536 0.483 20 0 FCADRP CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000544685792 490976432 /nfs/dbraw/zinc/97/64/32/490976432.db2.gz RJJKYTSNPGHNBM-OWCLPIDISA-N 2 0 368.547 0.435 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000519567624 490977208 /nfs/dbraw/zinc/97/72/08/490977208.db2.gz MEQZICNPKFBIRX-HLLBOEOZSA-N 2 0 366.506 0.297 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000519646944 490981562 /nfs/dbraw/zinc/98/15/62/490981562.db2.gz BMIRCRPZEOMFPT-RYUDHWBXSA-N 2 0 355.451 0.326 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000519691291 490984232 /nfs/dbraw/zinc/98/42/32/490984232.db2.gz RWLPSFPXOGRLIR-MBNYWOFBSA-N 2 0 363.428 0.747 20 0 FCADRP O=C(C[NH2+]CC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000565300979 491368126 /nfs/dbraw/zinc/36/81/26/491368126.db2.gz HYGHPBPPMZDELI-INIZCTEOSA-N 2 0 374.489 0.398 20 0 FCADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310782 491916520 /nfs/dbraw/zinc/91/65/20/491916520.db2.gz FKIBARZMWWSKIP-IRXDYDNUSA-N 2 0 366.506 0.252 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1CCC[NH+](C)C1)C2 ZINC000553997895 491168509 /nfs/dbraw/zinc/16/85/09/491168509.db2.gz GBORTPQMBSOHON-MGNMYUMUSA-N 2 0 365.522 0.711 20 0 FCADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)COC1CCOCC1 ZINC000569568172 491168815 /nfs/dbraw/zinc/16/88/15/491168815.db2.gz GLLHXLMYRMUNMC-NEWSRXKRSA-N 2 0 356.507 0.900 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000569576928 491170134 /nfs/dbraw/zinc/17/01/34/491170134.db2.gz FYSODGQWJSUGLV-SYJJWHGVSA-N 2 0 351.495 0.370 20 0 FCADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000569605950 491174063 /nfs/dbraw/zinc/17/40/63/491174063.db2.gz WIIMGXJVWLDWKF-UHFFFAOYSA-N 2 0 372.473 0.444 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)CC1(C(=O)N[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000554135950 491179872 /nfs/dbraw/zinc/17/98/72/491179872.db2.gz SZWNPHLNBZQILY-GJZGRUSLSA-N 2 0 356.511 0.306 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000565450262 491377525 /nfs/dbraw/zinc/37/75/25/491377525.db2.gz ORZMIUUQADFNCY-IAGOWNOFSA-N 2 0 367.538 0.071 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000565450271 491377560 /nfs/dbraw/zinc/37/75/60/491377560.db2.gz ORZMIUUQADFNCY-SJORKVTESA-N 2 0 367.538 0.071 20 0 FCADRP COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000572612815 491381442 /nfs/dbraw/zinc/38/14/42/491381442.db2.gz HPFMDSAMGSGSFN-LBPRGKRZSA-N 2 0 364.402 0.366 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619454 491381852 /nfs/dbraw/zinc/38/18/52/491381852.db2.gz PSCHLZLJNBNGLB-DLBZAZTESA-N 2 0 365.522 0.572 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000572620982 491382030 /nfs/dbraw/zinc/38/20/30/491382030.db2.gz WNMOUCHNJHAEGZ-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1=CC[N@H+](C)CC1 ZINC000572667409 491386014 /nfs/dbraw/zinc/38/60/14/491386014.db2.gz WVMVIYDYOFIUBM-SUMWQHHRSA-N 2 0 354.520 0.307 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)c2)CC1 ZINC000673514467 493339009 /nfs/dbraw/zinc/33/90/09/493339009.db2.gz GZXSEUYZSHDOSO-UXHICEINSA-N 2 0 372.513 0.715 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3ccnc3C2)CCN1C ZINC000660280926 493339309 /nfs/dbraw/zinc/33/93/09/493339309.db2.gz KQONFYXAHWAAIP-HZPDHXFCSA-N 2 0 361.490 0.703 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000572726117 491389270 /nfs/dbraw/zinc/38/92/70/491389270.db2.gz KJTJYHIFKVHXAJ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000572747762 491391331 /nfs/dbraw/zinc/39/13/31/491391331.db2.gz FLJCCMRUYBXVHL-KRWDZBQOSA-N 2 0 367.538 0.121 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000557768072 491396936 /nfs/dbraw/zinc/39/69/36/491396936.db2.gz DXLBNMUIPSAAJK-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000572860393 491398287 /nfs/dbraw/zinc/39/82/87/491398287.db2.gz DFNUONSWWSPURV-QGZVFWFLSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000565882812 491404783 /nfs/dbraw/zinc/40/47/83/491404783.db2.gz VCEUCHDTNZTGFT-UHFFFAOYSA-N 2 0 361.490 0.919 20 0 FCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CN1CCN1CCOCC1 ZINC000572990500 491406093 /nfs/dbraw/zinc/40/60/93/491406093.db2.gz CGXANMPRIDOUGI-ZSYWTGECSA-N 2 0 364.534 0.820 20 0 FCADRP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099178 491412373 /nfs/dbraw/zinc/41/23/73/491412373.db2.gz QGIBDNBGUOUDRY-KDOFPFPSSA-N 2 0 373.501 0.537 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000558105939 491414150 /nfs/dbraw/zinc/41/41/50/491414150.db2.gz ZBIFFGNXBBDCPA-UAGQMJEPSA-N 2 0 368.522 0.327 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000558210474 491419985 /nfs/dbraw/zinc/41/99/85/491419985.db2.gz TUTVDLWOYNRMAL-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000558210475 491420081 /nfs/dbraw/zinc/42/00/81/491420081.db2.gz TUTVDLWOYNRMAL-GVDBMIGSSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000566146788 491420311 /nfs/dbraw/zinc/42/03/11/491420311.db2.gz KJJBTNYOVUGTQP-INIZCTEOSA-N 2 0 366.506 0.396 20 0 FCADRP CC(C)(CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000566166079 491421879 /nfs/dbraw/zinc/42/18/79/491421879.db2.gz YBQJEHAPCCTNPG-QGZVFWFLSA-N 2 0 358.486 0.808 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000566165962 491422016 /nfs/dbraw/zinc/42/20/16/491422016.db2.gz DAPDCTSPYQGZAJ-ZWKOTPCHSA-N 2 0 360.502 0.924 20 0 FCADRP O=C(CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000573308555 491425349 /nfs/dbraw/zinc/42/53/49/491425349.db2.gz UACFHDCGTKZZEB-QGZVFWFLSA-N 2 0 359.474 0.382 20 0 FCADRP NC(=O)[C@H]1CC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000566207534 491425731 /nfs/dbraw/zinc/42/57/31/491425731.db2.gz GRVZNTLBDDZPLJ-CVEARBPZSA-N 2 0 360.458 0.129 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000573427897 491432616 /nfs/dbraw/zinc/43/26/16/491432616.db2.gz ITYMQLSXQSONHV-UHFFFAOYSA-N 2 0 373.501 0.690 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000566304293 491434040 /nfs/dbraw/zinc/43/40/40/491434040.db2.gz XHGKJBRVHRHPED-BRWVUGGUSA-N 2 0 358.490 0.575 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000573674892 491447674 /nfs/dbraw/zinc/44/76/74/491447674.db2.gz GUQBWNXKUJQCOI-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000566615489 491456334 /nfs/dbraw/zinc/45/63/34/491456334.db2.gz MKLMWODTLKUUHB-HLIPFELVSA-N 2 0 358.486 0.710 20 0 FCADRP C[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000559264883 491459222 /nfs/dbraw/zinc/45/92/22/491459222.db2.gz HJRSTWNKMKHZKT-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000573920530 491462954 /nfs/dbraw/zinc/46/29/54/491462954.db2.gz PYESWMPWNHDQJR-LSDHHAIUSA-N 2 0 361.490 0.615 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000559307922 491463707 /nfs/dbraw/zinc/46/37/07/491463707.db2.gz KESQAFMDJCAPJR-GOSISDBHSA-N 2 0 350.511 0.823 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439882 491472561 /nfs/dbraw/zinc/47/25/61/491472561.db2.gz HMWJEIHCPRBZML-DLBZAZTESA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145936 491477507 /nfs/dbraw/zinc/47/75/07/491477507.db2.gz QZVCTALNRCEEKQ-ZMSDIMECSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569552 491482024 /nfs/dbraw/zinc/48/20/24/491482024.db2.gz ZDQDBWDDWAUWPP-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569553 491482320 /nfs/dbraw/zinc/48/23/20/491482320.db2.gz ZDQDBWDDWAUWPP-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567062557 491483850 /nfs/dbraw/zinc/48/38/50/491483850.db2.gz ANNWHVVVOIUAOY-ROUUACIJSA-N 2 0 373.501 0.980 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000567128045 491487701 /nfs/dbraw/zinc/48/77/01/491487701.db2.gz KIVIBUTXDVRNLC-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000567139120 491488193 /nfs/dbraw/zinc/48/81/93/491488193.db2.gz DSOSIRIQONRPQZ-IRXDYDNUSA-N 2 0 368.522 0.402 20 0 FCADRP CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCCC1 ZINC000567250579 491494705 /nfs/dbraw/zinc/49/47/05/491494705.db2.gz PKGMCOFXFBMHMS-IKGGRYGDSA-N 2 0 365.522 0.840 20 0 FCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)C1(C)C ZINC000574451050 491497562 /nfs/dbraw/zinc/49/75/62/491497562.db2.gz ZWRJMGVVTUNDHY-ZRGWGRIASA-N 2 0 368.522 0.626 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000574451400 491497613 /nfs/dbraw/zinc/49/76/13/491497613.db2.gz NYDJNMVFIBBZEE-CABCVRRESA-N 2 0 356.392 0.826 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[NH2+]Cc2ccccc21 ZINC000574451403 491497802 /nfs/dbraw/zinc/49/78/02/491497802.db2.gz NYDJNMVFIBBZEE-LSDHHAIUSA-N 2 0 356.392 0.826 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000559834678 491503735 /nfs/dbraw/zinc/50/37/35/491503735.db2.gz WMJOVSKXVCIVBR-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000559863035 491505732 /nfs/dbraw/zinc/50/57/32/491505732.db2.gz NLCIYSKJUMLHQO-GOSISDBHSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868916 491506668 /nfs/dbraw/zinc/50/66/68/491506668.db2.gz YDYDMRDURGHKFN-KEYYUXOJSA-N 2 0 356.536 0.339 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567470099 491507586 /nfs/dbraw/zinc/50/75/86/491507586.db2.gz NTAKFEXWOIWPNB-PMPSAXMXSA-N 2 0 365.522 0.757 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013073 491514377 /nfs/dbraw/zinc/51/43/77/491514377.db2.gz HXDOEQBEKARVHG-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560022235 491515342 /nfs/dbraw/zinc/51/53/42/491515342.db2.gz VEZXLHYFNYDNMV-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560027871 491516433 /nfs/dbraw/zinc/51/64/33/491516433.db2.gz MOJZQRSGUUKVGD-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000567596267 491516749 /nfs/dbraw/zinc/51/67/49/491516749.db2.gz JNYPKHBYTDGMBD-KRWDZBQOSA-N 2 0 368.522 0.947 20 0 FCADRP COCC(=O)N1CCC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000574749890 491517497 /nfs/dbraw/zinc/51/74/97/491517497.db2.gz KWELNUAWBWKCKF-LJQANCHMSA-N 2 0 361.486 0.633 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000683378091 493348211 /nfs/dbraw/zinc/34/82/11/493348211.db2.gz BOVISIRGHKVPFG-INIZCTEOSA-N 2 0 356.511 0.897 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)cn2)CC1 ZINC000567714309 491524771 /nfs/dbraw/zinc/52/47/71/491524771.db2.gz VYMUSACDKNTITL-ROUUACIJSA-N 2 0 372.517 0.974 20 0 FCADRP CN(C[C@@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725658 491525241 /nfs/dbraw/zinc/52/52/41/491525241.db2.gz DKMQJRYGKYJTNS-KRWDZBQOSA-N 2 0 354.539 0.658 20 0 FCADRP Cc1noc([C@@H]2CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2)n1 ZINC000574896999 491526155 /nfs/dbraw/zinc/52/61/55/491526155.db2.gz XJMQXZCZVVIMDD-CABCVRRESA-N 2 0 368.482 0.733 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574910915 491527065 /nfs/dbraw/zinc/52/70/65/491527065.db2.gz BFRHLRBDSKAWAK-KURKYZTESA-N 2 0 362.518 0.920 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567754342 491527286 /nfs/dbraw/zinc/52/72/86/491527286.db2.gz IGSIBLIRIYJTFV-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000560300851 491529841 /nfs/dbraw/zinc/52/98/41/491529841.db2.gz VKKZYUGBWLPWNE-AEFFLSMTSA-N 2 0 360.502 0.828 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000560299833 491529896 /nfs/dbraw/zinc/52/98/96/491529896.db2.gz QEOYMYCFZKTEFM-UHFFFAOYSA-N 3 0 369.554 0.317 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000575090168 491538559 /nfs/dbraw/zinc/53/85/59/491538559.db2.gz OLVIQSWRNYOECK-UHFFFAOYSA-N 2 0 365.522 0.716 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321353 491548889 /nfs/dbraw/zinc/54/88/89/491548889.db2.gz YLOQAPUNRUZXTA-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000568047376 491549866 /nfs/dbraw/zinc/54/98/66/491549866.db2.gz LRBWTJBRTMXVPB-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000560664166 491550912 /nfs/dbraw/zinc/55/09/12/491550912.db2.gz YNRZQYUROHESOG-SZVBFZGTSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000560664165 491551137 /nfs/dbraw/zinc/55/11/37/491551137.db2.gz YNRZQYUROHESOG-SUMDDJOVSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000560669144 491551414 /nfs/dbraw/zinc/55/14/14/491551414.db2.gz JRIQJRIOYXSKQH-CYBMUJFWSA-N 2 0 352.454 0.960 20 0 FCADRP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000575476915 491555402 /nfs/dbraw/zinc/55/54/02/491555402.db2.gz MJLUMXHSYBDLLK-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000568207897 491559323 /nfs/dbraw/zinc/55/93/23/491559323.db2.gz RKDAVRYOGYKGEP-SFHVURJKSA-N 2 0 371.485 0.941 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568294364 491568008 /nfs/dbraw/zinc/56/80/08/491568008.db2.gz PYUCXWJLKZBVEJ-MSOLQXFVSA-N 2 0 358.486 0.615 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568294366 491568060 /nfs/dbraw/zinc/56/80/60/491568060.db2.gz PYUCXWJLKZBVEJ-ROUUACIJSA-N 2 0 358.486 0.615 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000575888677 491568315 /nfs/dbraw/zinc/56/83/15/491568315.db2.gz FYLAUHCFUFUBDS-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000561113230 491575160 /nfs/dbraw/zinc/57/51/60/491575160.db2.gz KCAMWJKZRPNGHS-UHFFFAOYSA-N 2 0 356.511 0.402 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCO1 ZINC000576027013 491577061 /nfs/dbraw/zinc/57/70/61/491577061.db2.gz IJTPNSXZNVZNRD-HOTGVXAUSA-N 2 0 352.479 0.040 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000561181730 491581041 /nfs/dbraw/zinc/58/10/41/491581041.db2.gz OVNXYCPONPXGQR-ZWKOTPCHSA-N 2 0 358.486 0.617 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@H+](C)C1CC1 ZINC000561183675 491581084 /nfs/dbraw/zinc/58/10/84/491581084.db2.gz NQVASYDTWXUESR-OAHLLOKOSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000561194658 491581811 /nfs/dbraw/zinc/58/18/11/491581811.db2.gz RLHOTLZVVCGHDH-HNNXBMFYSA-N 2 0 368.522 0.545 20 0 FCADRP CCN1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000673637448 493352348 /nfs/dbraw/zinc/35/23/48/493352348.db2.gz LTAWLNBBYAKIOK-KRWDZBQOSA-N 2 0 360.458 0.733 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000568608991 491591455 /nfs/dbraw/zinc/59/14/55/491591455.db2.gz RAQMIIRAPUOWNW-HOCLYGCPSA-N 2 0 351.495 0.500 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000584459980 491593706 /nfs/dbraw/zinc/59/37/06/491593706.db2.gz ISXKQPMLGHFGQR-DOTOQJQBSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000577130390 491593813 /nfs/dbraw/zinc/59/38/13/491593813.db2.gz WYBXZXCSMABINH-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576224860 491593985 /nfs/dbraw/zinc/59/39/85/491593985.db2.gz HFAVIVOBQDDRCT-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000568628543 491594224 /nfs/dbraw/zinc/59/42/24/491594224.db2.gz ULFGYZFDVSQNGB-STQMWFEESA-N 2 0 363.462 0.757 20 0 FCADRP C[C@@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000577164138 491597097 /nfs/dbraw/zinc/59/70/97/491597097.db2.gz NTRPAVJRBDNFCI-RDJZCZTQSA-N 2 0 350.507 0.683 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000577175674 491597690 /nfs/dbraw/zinc/59/76/90/491597690.db2.gz HARFZIOAOLYDBH-GFCCVEGCSA-N 2 0 351.476 0.807 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000568655512 491597988 /nfs/dbraw/zinc/59/79/88/491597988.db2.gz GICFKEMIYUXCEY-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP CCOC(=O)CC[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000577172174 491598169 /nfs/dbraw/zinc/59/81/69/491598169.db2.gz KVFOBNCPHNKGCU-INIZCTEOSA-N 2 0 357.495 0.077 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000584524512 491600077 /nfs/dbraw/zinc/60/00/77/491600077.db2.gz JFWGSMXFLJKPBG-KCITZHQASA-N 2 0 370.497 0.928 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000576293251 491602591 /nfs/dbraw/zinc/60/25/91/491602591.db2.gz NXJBPPATVIQWIU-ZWKOTPCHSA-N 2 0 358.486 0.630 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000584554933 491604083 /nfs/dbraw/zinc/60/40/83/491604083.db2.gz GXSAXNUVPUQRGO-KLHDSHLOSA-N 2 0 366.506 0.343 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000568745671 491605557 /nfs/dbraw/zinc/60/55/57/491605557.db2.gz YUUNXOXHHRHSOZ-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000568915978 491619679 /nfs/dbraw/zinc/61/96/79/491619679.db2.gz WTTGGNXXEIHKJU-BRWVUGGUSA-N 2 0 365.522 0.842 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412670 491620394 /nfs/dbraw/zinc/62/03/94/491620394.db2.gz VOUICTIBILAPNW-YKUDKROBSA-N 2 0 361.490 0.093 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCCC1 ZINC000561652461 491623193 /nfs/dbraw/zinc/62/31/93/491623193.db2.gz KQDUKUPZVRMEGE-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620523 491637062 /nfs/dbraw/zinc/63/70/62/491637062.db2.gz QMQLTJHLECXQRA-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000576722904 491639676 /nfs/dbraw/zinc/63/96/76/491639676.db2.gz ZKZYNIBRPLEODK-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP CN1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000569218664 491642889 /nfs/dbraw/zinc/64/28/89/491642889.db2.gz DAMXDESWGMLWBV-KRWDZBQOSA-N 2 0 374.485 0.405 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968641 491643515 /nfs/dbraw/zinc/64/35/15/491643515.db2.gz OFXKXMWQIDJLPZ-GDBMZVCRSA-N 2 0 350.507 0.990 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458508 491663647 /nfs/dbraw/zinc/66/36/47/491663647.db2.gz MBQQZNXWSAIJTI-ZBFHGGJFSA-N 2 0 369.531 0.629 20 0 FCADRP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097303 491669926 /nfs/dbraw/zinc/66/99/26/491669926.db2.gz QZTHJEKESQUKSS-JKSUJKDBSA-N 2 0 368.522 0.401 20 0 FCADRP CO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097300 491669967 /nfs/dbraw/zinc/66/99/67/491669967.db2.gz QZTHJEKESQUKSS-CVEARBPZSA-N 2 0 368.522 0.401 20 0 FCADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000579259591 491694223 /nfs/dbraw/zinc/69/42/23/491694223.db2.gz XLLYKTJBVPQCHA-FUHWJXTLSA-N 2 0 374.485 0.791 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000579572919 491700668 /nfs/dbraw/zinc/70/06/68/491700668.db2.gz HGMDXVHIDBJBPR-IAGOWNOFSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000579715221 491703693 /nfs/dbraw/zinc/70/36/93/491703693.db2.gz UIDDBJDJFPIRFA-BZUAXINKSA-N 2 0 354.495 0.250 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000579871954 491707488 /nfs/dbraw/zinc/70/74/88/491707488.db2.gz PEAHHJPLMMUEIU-UHFFFAOYSA-N 2 0 356.511 0.404 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000584580817 491708298 /nfs/dbraw/zinc/70/82/98/491708298.db2.gz OHSZONRKTLIYCG-WCXIOVBPSA-N 2 0 363.506 0.228 20 0 FCADRP CC[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000584579640 491708364 /nfs/dbraw/zinc/70/83/64/491708364.db2.gz WBCFUQCAIJQEHD-GOSISDBHSA-N 2 0 373.501 0.554 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781438 491714240 /nfs/dbraw/zinc/71/42/40/491714240.db2.gz OOGLTJXPRGIBIX-IAGOWNOFSA-N 2 0 374.485 0.886 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172803 491720236 /nfs/dbraw/zinc/72/02/36/491720236.db2.gz ZXAAZFKGCLKMLB-DOTOQJQBSA-N 2 0 359.474 0.553 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000580212618 491721996 /nfs/dbraw/zinc/72/19/96/491721996.db2.gz SEDYNSJFNCACKR-AVGNSLFASA-N 2 0 354.476 0.781 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1=O ZINC000580316058 491725855 /nfs/dbraw/zinc/72/58/55/491725855.db2.gz ULTBTIJVGAOUCR-NCOADZHNSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580421827 491730495 /nfs/dbraw/zinc/73/04/95/491730495.db2.gz QOKNLAPOQHDWAB-CVEARBPZSA-N 2 0 362.518 0.968 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000580533516 491734922 /nfs/dbraw/zinc/73/49/22/491734922.db2.gz VDODROFUVLPJDN-SJORKVTESA-N 2 0 365.522 0.001 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000580559628 491736111 /nfs/dbraw/zinc/73/61/11/491736111.db2.gz SGYGXBQBIRDLDA-IAGOWNOFSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000660532342 493360126 /nfs/dbraw/zinc/36/01/26/493360126.db2.gz HAKUDEIFFUGGAU-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000581205575 491764051 /nfs/dbraw/zinc/76/40/51/491764051.db2.gz CBLCBIVRPJGYFY-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581426872 491772338 /nfs/dbraw/zinc/77/23/38/491772338.db2.gz NMUBYMQCLOVGDP-KRWDZBQOSA-N 2 0 354.458 0.818 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000581613766 491780233 /nfs/dbraw/zinc/78/02/33/491780233.db2.gz WDJQZICLYOTVJS-UHFFFAOYSA-N 2 0 368.522 0.579 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000581723577 491784212 /nfs/dbraw/zinc/78/42/12/491784212.db2.gz KBVDMTNUCDYNFG-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581737623 491785162 /nfs/dbraw/zinc/78/51/62/491785162.db2.gz MQLQAMHJOBRKMG-VVLHAWIVSA-N 2 0 350.507 0.727 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000581809785 491786207 /nfs/dbraw/zinc/78/62/07/491786207.db2.gz RSBOJXLJZBOODN-YJBOKZPZSA-N 2 0 364.490 0.610 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000590798270 491787213 /nfs/dbraw/zinc/78/72/13/491787213.db2.gz GQSLHYQBAKPRTH-UHFFFAOYSA-N 2 0 364.494 0.875 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000582434710 491812383 /nfs/dbraw/zinc/81/23/83/491812383.db2.gz HSUXFYHEJKINGR-PBFPGSCMSA-N 2 0 354.520 0.281 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582625904 491820563 /nfs/dbraw/zinc/82/05/63/491820563.db2.gz ANSPYUCQPIIYOM-UHFFFAOYSA-N 2 0 368.522 0.596 20 0 FCADRP C[NH+]1CC[C@H](C(=O)N[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)Cc2ccccc2)C1 ZINC000582681547 491822424 /nfs/dbraw/zinc/82/24/24/491822424.db2.gz AYCDAYGQZAASJW-FHWLQOOXSA-N 2 0 372.513 0.734 20 0 FCADRP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000583131959 491838590 /nfs/dbraw/zinc/83/85/90/491838590.db2.gz PMGMQGUZIHETMF-CQSZACIVSA-N 2 0 358.442 0.412 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC000583762214 491851619 /nfs/dbraw/zinc/85/16/19/491851619.db2.gz NPMSGJCLCRWNPM-QGZVFWFLSA-N 2 0 362.522 0.685 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000583771516 491851795 /nfs/dbraw/zinc/85/17/95/491851795.db2.gz KUVZSTLYULEWDO-IXDOHACOSA-N 2 0 356.511 0.440 20 0 FCADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000583802036 491852154 /nfs/dbraw/zinc/85/21/54/491852154.db2.gz PBDXGBFWBVOGQN-XIRDDKMYSA-N 2 0 366.485 0.974 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000583823715 491852749 /nfs/dbraw/zinc/85/27/49/491852749.db2.gz FNILGCDXKJDVJB-IAOVAPTHSA-N 2 0 368.441 0.887 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000583881052 491854032 /nfs/dbraw/zinc/85/40/32/491854032.db2.gz QREQHFXKHUQFEM-MSOLQXFVSA-N 2 0 371.485 0.810 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000584053900 491857505 /nfs/dbraw/zinc/85/75/05/491857505.db2.gz MXFXGSYIYJJOIZ-KBPBESRZSA-N 2 0 366.487 0.594 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257565 491861774 /nfs/dbraw/zinc/86/17/74/491861774.db2.gz YMUREDJEWZQARK-QKPAOTATSA-N 2 0 350.507 0.964 20 0 FCADRP COc1cc(OC)cc(OCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000584340855 491863246 /nfs/dbraw/zinc/86/32/46/491863246.db2.gz RBVCVGIDJZJFMS-ZDUSSCGKSA-N 2 0 352.435 0.367 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881723 491870752 /nfs/dbraw/zinc/87/07/52/491870752.db2.gz GWKYYCKEALDNJF-IXDOHACOSA-N 2 0 357.458 0.064 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612225454 491905807 /nfs/dbraw/zinc/90/58/07/491905807.db2.gz AXNRSCVENCYZLH-UHFFFAOYSA-N 2 0 361.490 0.430 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1F ZINC000595261735 491908568 /nfs/dbraw/zinc/90/85/68/491908568.db2.gz AUXBYZDOYNIEAL-HOCLYGCPSA-N 2 0 363.437 0.341 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000612544625 491931414 /nfs/dbraw/zinc/93/14/14/491931414.db2.gz FQQWWGGQNHARPP-OAHLLOKOSA-N 2 0 350.463 0.770 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000612549466 491933523 /nfs/dbraw/zinc/93/35/23/491933523.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 2 0 367.538 0.071 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594604 491936681 /nfs/dbraw/zinc/93/66/81/491936681.db2.gz NFPZYVYNSPNNNS-MRXNPFEDSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612595852 491936849 /nfs/dbraw/zinc/93/68/49/491936849.db2.gz REGCMDYPWVQOMA-SJORKVTESA-N 2 0 366.506 0.297 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000612599229 491938068 /nfs/dbraw/zinc/93/80/68/491938068.db2.gz RIZSUKFHBZZHCB-DLBZAZTESA-N 2 0 364.490 0.053 20 0 FCADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000602019502 491957426 /nfs/dbraw/zinc/95/74/26/491957426.db2.gz FJIONCCOTVZVKG-VODUFIJXSA-N 2 0 361.442 0.898 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612907995 491958235 /nfs/dbraw/zinc/95/82/35/491958235.db2.gz AJAGPKKCBLOGHS-LSDHHAIUSA-N 2 0 363.510 0.658 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC1 ZINC000612917455 491958390 /nfs/dbraw/zinc/95/83/90/491958390.db2.gz WDKJWNYSWAQYRO-CQSZACIVSA-N 2 0 361.494 0.590 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916537 491958562 /nfs/dbraw/zinc/95/85/62/491958562.db2.gz AXSDZBHDACJDOJ-CABCVRRESA-N 2 0 363.510 0.692 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC34CC[NH2+]CC4)cn2)CC1 ZINC000612964619 491960172 /nfs/dbraw/zinc/96/01/72/491960172.db2.gz SKSDAESHSDXHON-INIZCTEOSA-N 2 0 358.490 0.775 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612970854 491960236 /nfs/dbraw/zinc/96/02/36/491960236.db2.gz QEZOGGULTNMMCZ-OAHLLOKOSA-N 2 0 351.495 0.324 20 0 FCADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612983602 491961132 /nfs/dbraw/zinc/96/11/32/491961132.db2.gz OMRORTKOCMFTBP-QZTJIDSGSA-N 2 0 358.486 0.847 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000602121949 491961746 /nfs/dbraw/zinc/96/17/46/491961746.db2.gz PZWMBPSRTMUTHN-SFHVURJKSA-N 2 0 366.550 0.972 20 0 FCADRP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595977509 491967762 /nfs/dbraw/zinc/96/77/62/491967762.db2.gz LMMCVCQHBAVWAJ-WBVHZDCISA-N 2 0 374.533 0.960 20 0 FCADRP CC(C)N1CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000604118254 492051003 /nfs/dbraw/zinc/05/10/03/492051003.db2.gz WVBIZSUWWTXWEN-INIZCTEOSA-N 2 0 355.527 0.911 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000604164245 492051955 /nfs/dbraw/zinc/05/19/55/492051955.db2.gz CSKHDWUZNZIPJA-MRXNPFEDSA-N 2 0 358.490 0.869 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604205976 492054469 /nfs/dbraw/zinc/05/44/69/492054469.db2.gz ZGCIPZMLJVFEFZ-OAHLLOKOSA-N 2 0 351.495 0.419 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653346 492066794 /nfs/dbraw/zinc/06/67/94/492066794.db2.gz QIKQOWMZSJPQMM-IAGOWNOFSA-N 2 0 353.511 0.034 20 0 FCADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668225 492068077 /nfs/dbraw/zinc/06/80/77/492068077.db2.gz VQSKZSQOGRXPLZ-QZTJIDSGSA-N 2 0 365.522 0.176 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000615215677 492078700 /nfs/dbraw/zinc/07/87/00/492078700.db2.gz MMZMCSWJTGMXJL-BZUAXINKSA-N 2 0 358.527 0.094 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CC1=O ZINC000615311486 492085697 /nfs/dbraw/zinc/08/56/97/492085697.db2.gz ZWRSHVBFILTXAD-YLFCFFPRSA-N 2 0 350.507 0.870 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000605884658 492104923 /nfs/dbraw/zinc/10/49/23/492104923.db2.gz UAYCHWUWODHFIN-GDBMZVCRSA-N 2 0 351.495 0.642 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000605882267 492105072 /nfs/dbraw/zinc/10/50/72/492105072.db2.gz ODCYFPOMQAWLDF-OAHLLOKOSA-N 2 0 356.511 0.896 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606702601 492127064 /nfs/dbraw/zinc/12/70/64/492127064.db2.gz ARWKOAAWHAZJGL-MRXNPFEDSA-N 2 0 367.538 0.912 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000607245694 492142047 /nfs/dbraw/zinc/14/20/47/492142047.db2.gz YTEAFQBCGNRGBN-DLBZAZTESA-N 2 0 370.538 0.879 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)on1 ZINC000599279732 492153935 /nfs/dbraw/zinc/15/39/35/492153935.db2.gz UHAUKQUUKGNZDM-UHFFFAOYSA-N 2 0 374.463 0.108 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608013494 492162747 /nfs/dbraw/zinc/16/27/47/492162747.db2.gz KGUAXJIGUHEIIJ-YLJYHZDGSA-N 2 0 360.502 0.376 20 0 FCADRP CCOC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000609157958 492199174 /nfs/dbraw/zinc/19/91/74/492199174.db2.gz UXTBSWUNIJGFFX-UHFFFAOYSA-N 2 0 371.503 0.977 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000618307003 492222099 /nfs/dbraw/zinc/22/20/99/492222099.db2.gz SCOPCNXRIPEMQO-UHFFFAOYSA-N 2 0 365.478 0.114 20 0 FCADRP COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304609 492284904 /nfs/dbraw/zinc/28/49/04/492284904.db2.gz JFNUUQWHHMMMHS-LSDHHAIUSA-N 2 0 367.490 0.977 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCCN3CC[NH+](C)CC3)CC2)CC1 ZINC000654422032 492301120 /nfs/dbraw/zinc/30/11/20/492301120.db2.gz LDVORNPTBPIXSY-UHFFFAOYSA-N 2 0 365.566 0.546 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641778746 492303503 /nfs/dbraw/zinc/30/35/03/492303503.db2.gz XZVBQBYIURPZHU-ROUUACIJSA-N 2 0 369.554 0.813 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1=O ZINC000633943451 492310171 /nfs/dbraw/zinc/31/01/71/492310171.db2.gz NEKPGOZSZIYPAX-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000627472797 492311185 /nfs/dbraw/zinc/31/11/85/492311185.db2.gz ZBGMILJQLLFVEW-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473277 492311287 /nfs/dbraw/zinc/31/12/87/492311287.db2.gz KSCKFWFHAIBYJI-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccn2)CC1 ZINC000620484440 492314261 /nfs/dbraw/zinc/31/42/61/492314261.db2.gz LJEGWTZLCCBVGT-GOSISDBHSA-N 2 0 373.501 0.505 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568457 492316307 /nfs/dbraw/zinc/31/63/07/492316307.db2.gz MRQROOCLYSNVFH-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568667 492317847 /nfs/dbraw/zinc/31/78/47/492317847.db2.gz RAVRVMBMRYOIMV-QGZVFWFLSA-N 2 0 359.474 0.673 20 0 FCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000641892674 492321959 /nfs/dbraw/zinc/32/19/59/492321959.db2.gz ZPPTWUZFMTURLL-IXDOHACOSA-N 2 0 363.506 0.228 20 0 FCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202076 492325871 /nfs/dbraw/zinc/32/58/71/492325871.db2.gz BOTFKYLMKAIYNY-MSOLQXFVSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596993 492331913 /nfs/dbraw/zinc/33/19/13/492331913.db2.gz CINCZCYTBVBALW-ATLSCFEFSA-N 2 0 358.486 0.819 20 0 FCADRP Cc1nccn1CC(=O)N1CCN(C(=O)Cn2ccnc2C)[C@@H](C)[C@@H]1C ZINC000620747172 492332585 /nfs/dbraw/zinc/33/25/85/492332585.db2.gz NKQIPHBOSFAODE-KBPBESRZSA-N 2 0 358.446 0.844 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000642101815 492334865 /nfs/dbraw/zinc/33/48/65/492334865.db2.gz QWZZGWAQHIXPJZ-SQNIBIBYSA-N 2 0 358.486 0.963 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654693602 492341354 /nfs/dbraw/zinc/34/13/54/492341354.db2.gz HTPCALTXYOHDLD-MRXNPFEDSA-N 2 0 364.494 0.117 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000642236404 492343582 /nfs/dbraw/zinc/34/35/82/492343582.db2.gz KYASBULBGXKTNI-BSXFFOKHSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)([NH+](C)C)C1 ZINC000642236390 492343611 /nfs/dbraw/zinc/34/36/11/492343611.db2.gz GASRDVJILFPEDZ-CUGJGTHOSA-N 2 0 350.507 0.809 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642253917 492345997 /nfs/dbraw/zinc/34/59/97/492345997.db2.gz QISVQODXIIXFPQ-ZWKOTPCHSA-N 2 0 374.485 0.201 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000654736555 492345979 /nfs/dbraw/zinc/34/59/79/492345979.db2.gz AYBJMNXFMYQOIX-HZPDHXFCSA-N 2 0 351.495 0.419 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706206 492347839 /nfs/dbraw/zinc/34/78/39/492347839.db2.gz FNWURBSDWJWGSP-QRVBRYPASA-N 2 0 359.470 0.555 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642302684 492349146 /nfs/dbraw/zinc/34/91/46/492349146.db2.gz SPHYWFGFTWWHAW-RDJZCZTQSA-N 2 0 362.474 0.199 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642302685 492349656 /nfs/dbraw/zinc/34/96/56/492349656.db2.gz SPHYWFGFTWWHAW-WBVHZDCISA-N 2 0 362.474 0.199 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330391 492352302 /nfs/dbraw/zinc/35/23/02/492352302.db2.gz DDYPIASYIDIATP-FZKCQIBNSA-N 2 0 368.522 0.434 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000642344751 492353756 /nfs/dbraw/zinc/35/37/56/492353756.db2.gz CBOSLWPIIBUCCD-UHFFFAOYSA-N 2 0 368.547 0.804 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000642450050 492358485 /nfs/dbraw/zinc/35/84/85/492358485.db2.gz KAGKENIRXMRGSH-SWLSCSKDSA-N 2 0 352.866 0.866 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000627652812 492358726 /nfs/dbraw/zinc/35/87/26/492358726.db2.gz UHVMRJDSRHFEEC-YSDAECDYSA-N 2 0 374.529 0.440 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000642449988 492358842 /nfs/dbraw/zinc/35/88/42/492358842.db2.gz AMFKHBPGHXEOEQ-HNNXBMFYSA-N 2 0 352.866 0.927 20 0 FCADRP O=C(N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771762 492367976 /nfs/dbraw/zinc/36/79/76/492367976.db2.gz IBVHQTLRKYISSQ-FTRWYGJKSA-N 2 0 372.517 0.915 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645858 492370204 /nfs/dbraw/zinc/37/02/04/492370204.db2.gz CFPMLRSNHJKKLN-RBUKOAKNSA-N 2 0 372.513 0.926 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645856 492370327 /nfs/dbraw/zinc/37/03/27/492370327.db2.gz CFPMLRSNHJKKLN-MOPGFXCFSA-N 2 0 372.513 0.926 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000642686018 492373341 /nfs/dbraw/zinc/37/33/41/492373341.db2.gz BUIDVDYOXPDGHU-WMZOPIPTSA-N 2 0 374.485 0.454 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642725987 492380513 /nfs/dbraw/zinc/38/05/13/492380513.db2.gz WDFRWBDAWPOGKA-MAUKXSAKSA-N 2 0 372.513 0.788 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000642726135 492380648 /nfs/dbraw/zinc/38/06/48/492380648.db2.gz OAJGKOQTHRQDEA-KRWDZBQOSA-N 2 0 358.486 0.460 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000642725939 492380881 /nfs/dbraw/zinc/38/08/81/492380881.db2.gz DVVZOYOSPAWHCM-QGZVFWFLSA-N 2 0 358.486 0.460 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000642732997 492382977 /nfs/dbraw/zinc/38/29/77/492382977.db2.gz PHPGPFKHQOBVNA-MSOLQXFVSA-N 2 0 374.485 0.516 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000654945766 492383110 /nfs/dbraw/zinc/38/31/10/492383110.db2.gz DRDVNGVPEHBARI-JKSUJKDBSA-N 2 0 362.478 0.516 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642750924 492385378 /nfs/dbraw/zinc/38/53/78/492385378.db2.gz XPWVNNGCLNBXFK-IYBDPMFKSA-N 2 0 352.523 0.977 20 0 FCADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937833 492385752 /nfs/dbraw/zinc/38/57/52/492385752.db2.gz CSUOZRICIRSFHW-WFASDCNBSA-N 2 0 354.476 0.722 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977443 492390308 /nfs/dbraw/zinc/39/03/08/492390308.db2.gz BJWBRCJGYCHMTN-QZTJIDSGSA-N 2 0 362.518 0.779 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978169 492390616 /nfs/dbraw/zinc/39/06/16/492390616.db2.gz NQYCQOSLOQNJMU-GJZGRUSLSA-N 2 0 374.489 0.145 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1F ZINC000642785704 492392026 /nfs/dbraw/zinc/39/20/26/492392026.db2.gz DTKSVHSVCRXCCP-QILLFSRXSA-N 2 0 374.460 0.679 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642787235 492392047 /nfs/dbraw/zinc/39/20/47/492392047.db2.gz YNOJHJYCPJBMAW-AEFFLSMTSA-N 2 0 371.485 0.625 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cn2)CC1 ZINC000635099833 492392879 /nfs/dbraw/zinc/39/28/79/492392879.db2.gz OKYYSIVRJGXJTB-PBHICJAKSA-N 2 0 374.489 0.641 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000642902139 492398972 /nfs/dbraw/zinc/39/89/72/492398972.db2.gz LCFKLKGPOQSBTC-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902478 492399399 /nfs/dbraw/zinc/39/93/99/492399399.db2.gz TXXVBJCVTLPOFU-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)o1 ZINC000642906264 492400529 /nfs/dbraw/zinc/40/05/29/492400529.db2.gz CRVRUOJPYLBPOK-HNNXBMFYSA-N 2 0 350.463 0.737 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000642910246 492402083 /nfs/dbraw/zinc/40/20/83/492402083.db2.gz BROIFVOSVZIQMQ-BHYGNILZSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000642910249 492402246 /nfs/dbraw/zinc/40/22/46/492402246.db2.gz BROIFVOSVZIQMQ-XIRDDKMYSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000642910325 492402585 /nfs/dbraw/zinc/40/25/85/492402585.db2.gz DPBFEQGNJHTMKL-UZLBHIALSA-N 2 0 358.486 0.965 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000642922023 492404758 /nfs/dbraw/zinc/40/47/58/492404758.db2.gz FGYKXMIUSAGGEO-WMZOPIPTSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921474 492404906 /nfs/dbraw/zinc/40/49/06/492404906.db2.gz VMETVEWVCFQXRU-MSOLQXFVSA-N 2 0 373.501 0.041 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643007697 492413435 /nfs/dbraw/zinc/41/34/35/492413435.db2.gz XSLLWAZJXNNZGS-FGTMMUONSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643012292 492413751 /nfs/dbraw/zinc/41/37/51/492413751.db2.gz WXQDPNGHCXAVLM-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP Cc1coc(CC(=O)NC[C@@H](C)[NH+](C)C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000635255279 492423638 /nfs/dbraw/zinc/42/36/38/492423638.db2.gz PIHDRXPENVAZPY-KGLIPLIRSA-N 2 0 352.479 0.877 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843811 492424350 /nfs/dbraw/zinc/42/43/50/492424350.db2.gz LXTSJZMVMWMXCM-RCJHGTSTSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843920 492424599 /nfs/dbraw/zinc/42/45/99/492424599.db2.gz NLDYFEUYNKRSQD-GPMSIDNRSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028217 492443471 /nfs/dbraw/zinc/44/34/71/492443471.db2.gz NYFZYBPBHYVCOI-KSSFIOAISA-N 2 0 364.515 0.978 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000635463339 492452770 /nfs/dbraw/zinc/45/27/70/492452770.db2.gz LBPRNBGOKNLLTR-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000655596003 492461786 /nfs/dbraw/zinc/46/17/86/492461786.db2.gz WVRAJFMLXCDPNB-INIZCTEOSA-N 2 0 353.511 0.762 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528235 492463875 /nfs/dbraw/zinc/46/38/75/492463875.db2.gz PMLAGRUEALWXEO-WMZOPIPTSA-N 2 0 369.473 0.968 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643453488 492466831 /nfs/dbraw/zinc/46/68/31/492466831.db2.gz HCQVIMGKBOTXMA-IXDOHACOSA-N 2 0 358.552 0.464 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635551022 492468590 /nfs/dbraw/zinc/46/85/90/492468590.db2.gz KBNWQLNHHYGYAW-OAHLLOKOSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@@](C)(CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635566489 492473225 /nfs/dbraw/zinc/47/32/25/492473225.db2.gz YOZDFQMVDGJLCS-TXPKVOOTSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CC3C2)CC[NH+]1C ZINC000648916849 492474760 /nfs/dbraw/zinc/47/47/60/492474760.db2.gz QGNIQJHXRPZEEK-FPPVNLLCSA-N 2 0 362.518 0.584 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635571790 492474970 /nfs/dbraw/zinc/47/49/70/492474970.db2.gz CRBGQWZPSMLOEX-AEFFLSMTSA-N 2 0 350.507 0.526 20 0 FCADRP O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478788 492475100 /nfs/dbraw/zinc/47/51/00/492475100.db2.gz GGPAWSPUHAPYTB-UHFFFAOYSA-N 2 0 357.458 0.332 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643480996 492476863 /nfs/dbraw/zinc/47/68/63/492476863.db2.gz SSUMXBKHEROUOF-RBUKOAKNSA-N 2 0 370.497 0.789 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C[C@@H]12 ZINC000643483314 492477217 /nfs/dbraw/zinc/47/72/17/492477217.db2.gz KHCXVMVDDGCUCF-KZNAEPCWSA-N 2 0 362.518 0.907 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643483674 492478148 /nfs/dbraw/zinc/47/81/48/492478148.db2.gz BHWPOCVDIVWOHU-FHWLQOOXSA-N 2 0 370.497 0.930 20 0 FCADRP O=C(C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643486936 492478760 /nfs/dbraw/zinc/47/87/60/492478760.db2.gz HNVNFYOCCUHKOE-HDICACEKSA-N 2 0 362.518 0.779 20 0 FCADRP C[NH+]1CCC(C[NH2+]C2CCN([C@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000655777700 492479300 /nfs/dbraw/zinc/47/93/00/492479300.db2.gz WEKNJRVIGBPJHU-IBGZPJMESA-N 2 0 366.550 0.626 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000643499820 492482739 /nfs/dbraw/zinc/48/27/39/492482739.db2.gz SLLKTAFJYXSRIN-INIZCTEOSA-N 2 0 364.465 0.913 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000643499821 492483020 /nfs/dbraw/zinc/48/30/20/492483020.db2.gz SLLKTAFJYXSRIN-MRXNPFEDSA-N 2 0 364.465 0.913 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643531718 492490524 /nfs/dbraw/zinc/49/05/24/492490524.db2.gz ARWBCGPVYHTOTA-BPQIPLTHSA-N 2 0 358.486 0.915 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000643531818 492491492 /nfs/dbraw/zinc/49/14/92/492491492.db2.gz NUZHLSKKONDHKA-SFHVURJKSA-N 2 0 358.486 0.917 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643531849 492492110 /nfs/dbraw/zinc/49/21/10/492492110.db2.gz PRYRZVSUDGSPAK-GHTZIAJQSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000643541526 492495379 /nfs/dbraw/zinc/49/53/79/492495379.db2.gz RPUYGGLQLSCEAW-BGTYHANMSA-N 2 0 356.470 0.382 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549772 492496933 /nfs/dbraw/zinc/49/69/33/492496933.db2.gz OTVPMSLWVOBUOV-CGTJXYLNSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549725 492497061 /nfs/dbraw/zinc/49/70/61/492497061.db2.gz GMZWSSWERQLMHH-SYNHAJSKSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549864 492497442 /nfs/dbraw/zinc/49/74/42/492497442.db2.gz WWCSBHYTVAZUOU-OTRWWLKZSA-N 2 0 364.490 0.036 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000643553489 492497514 /nfs/dbraw/zinc/49/75/14/492497514.db2.gz CHFIIAVFEGPMOQ-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643550013 492497649 /nfs/dbraw/zinc/49/76/49/492497649.db2.gz TVHDYUSKJFNZSN-RUGDWHBFSA-N 2 0 374.460 0.631 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)[C@H]2C1 ZINC000643549990 492497684 /nfs/dbraw/zinc/49/76/84/492497684.db2.gz OAHYACVRLAZESH-HYVNUMGLSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000643553628 492498726 /nfs/dbraw/zinc/49/87/26/492498726.db2.gz JYQVLCUOELZABV-DLBZAZTESA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CCO1 ZINC000643560505 492498933 /nfs/dbraw/zinc/49/89/33/492498933.db2.gz SQMMDZDCWXHNIM-UKRRQHHQSA-N 2 0 368.503 0.213 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643553572 492499050 /nfs/dbraw/zinc/49/90/50/492499050.db2.gz INEIDUQQYOZYNY-IRXDYDNUSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643591633 492501627 /nfs/dbraw/zinc/50/16/27/492501627.db2.gz WJFXMAPPMGRTRG-SJORKVTESA-N 2 0 350.507 0.918 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC[NH2+]CC1 ZINC000643592579 492502444 /nfs/dbraw/zinc/50/24/44/492502444.db2.gz SISFEFYEWHXXAJ-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N3CCOC4(CC[NH+](C)CC4)C3)n2)CC1 ZINC000649131281 492503805 /nfs/dbraw/zinc/50/38/05/492503805.db2.gz FWFMBDYDPQZJFG-UHFFFAOYSA-N 2 0 373.501 0.770 20 0 FCADRP COc1ccc(CN2CC[C@@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1 ZINC000635959035 492533892 /nfs/dbraw/zinc/53/38/92/492533892.db2.gz AWYPNRVOAAXHEU-HXUWFJFHSA-N 2 0 372.513 0.975 20 0 FCADRP Cc1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)n(C2CC[NH+](C)CC2)n1 ZINC000649339434 492538620 /nfs/dbraw/zinc/53/86/20/492538620.db2.gz YXMOHOMDOBEOJI-OAHLLOKOSA-N 2 0 362.478 0.655 20 0 FCADRP C[NH+]1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)(N2CCOCC2)CC1 ZINC000636023593 492541218 /nfs/dbraw/zinc/54/12/18/492541218.db2.gz OSLACDZUZLRMSI-UHFFFAOYSA-N 2 0 364.534 0.775 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347334 492542816 /nfs/dbraw/zinc/54/28/16/492542816.db2.gz QWZQVIZALSPIJT-HUUCEWRRSA-N 2 0 360.458 0.601 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000649410375 492550742 /nfs/dbraw/zinc/55/07/42/492550742.db2.gz ZAVQONMOBDQDFT-LPHOPBHVSA-N 2 0 360.502 0.947 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000649410563 492550965 /nfs/dbraw/zinc/55/09/65/492550965.db2.gz IKQTUINLOIIMLA-IAGOWNOFSA-N 2 0 368.522 0.186 20 0 FCADRP CC1(C)C[NH2+]CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649410052 492551321 /nfs/dbraw/zinc/55/13/21/492551321.db2.gz KCQOYPWECYEBIU-UHFFFAOYSA-N 2 0 352.523 0.822 20 0 FCADRP O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649419469 492553774 /nfs/dbraw/zinc/55/37/74/492553774.db2.gz QKNWZBGFYBUNPH-MSOLQXFVSA-N 2 0 364.534 0.822 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656294486 492573669 /nfs/dbraw/zinc/57/36/69/492573669.db2.gz AZMGMEIJWUQEGF-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000656300259 492577825 /nfs/dbraw/zinc/57/78/25/492577825.db2.gz MZYRDHDUGZXHCX-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC1 ZINC000656312222 492585624 /nfs/dbraw/zinc/58/56/24/492585624.db2.gz LNBOBGUTCKTFLY-UHFFFAOYSA-N 2 0 364.494 0.435 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354525 492609208 /nfs/dbraw/zinc/60/92/08/492609208.db2.gz GIMVHQXIYKJHDO-DLBZAZTESA-N 3 0 367.538 0.071 20 0 FCADRP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629581285 492656315 /nfs/dbraw/zinc/65/63/15/492656315.db2.gz UWORMYSRKWIMHO-HZPDHXFCSA-N 2 0 355.504 0.790 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793254 492673974 /nfs/dbraw/zinc/67/39/74/492673974.db2.gz DNSVMPIBCZCSOD-DLBZAZTESA-N 2 0 368.522 0.533 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C2)CC1 ZINC000629795073 492675018 /nfs/dbraw/zinc/67/50/18/492675018.db2.gz YQNZRZKBJJOBPX-KRWDZBQOSA-N 2 0 368.522 0.391 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000629796960 492676528 /nfs/dbraw/zinc/67/65/28/492676528.db2.gz UUGFMZZRYKOOPK-KRWDZBQOSA-N 2 0 368.522 0.535 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913911 492703600 /nfs/dbraw/zinc/70/36/00/492703600.db2.gz PPMYOXWRXSNVHD-IBGZPJMESA-N 2 0 360.502 0.772 20 0 FCADRP CN(C(=O)NCCN1CCCC1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651305615 492738501 /nfs/dbraw/zinc/73/85/01/492738501.db2.gz QDIRURAABNVOGY-MRXNPFEDSA-N 2 0 351.495 0.419 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000630825445 492777275 /nfs/dbraw/zinc/77/72/75/492777275.db2.gz HBEXZHLZNMIBIA-DTTOXWODSA-N 2 0 360.502 0.718 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000630825437 492777493 /nfs/dbraw/zinc/77/74/93/492777493.db2.gz HBEXZHLZNMIBIA-DTDBQYNISA-N 2 0 360.502 0.718 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1csc(CO)n1 ZINC000630865655 492779656 /nfs/dbraw/zinc/77/96/56/492779656.db2.gz GPJSPRUGCGYYLK-UHFFFAOYSA-N 2 0 361.471 0.973 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644562711 492785538 /nfs/dbraw/zinc/78/55/38/492785538.db2.gz LXPNLJPAYRHACD-CEXWTWQISA-N 2 0 356.555 0.464 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000657874430 492807288 /nfs/dbraw/zinc/80/72/88/492807288.db2.gz RSVKXJPJUTXVTF-KRWDZBQOSA-N 2 0 371.485 0.675 20 0 FCADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874127 492807382 /nfs/dbraw/zinc/80/73/82/492807382.db2.gz OIZJSLJSKMDMAC-UHFFFAOYSA-N 2 0 371.485 0.817 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375359 492814125 /nfs/dbraw/zinc/81/41/25/492814125.db2.gz IWHZSAJHJQRZNH-PMPSAXMXSA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637376732 492815878 /nfs/dbraw/zinc/81/58/78/492815878.db2.gz MXUKYCIYTZDLTF-CVEARBPZSA-N 2 0 369.510 0.078 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCS1(=O)=O ZINC000637459143 492834714 /nfs/dbraw/zinc/83/47/14/492834714.db2.gz NXTJPXZARXXBGK-HUUCEWRRSA-N 2 0 362.540 0.477 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cn1 ZINC000651942985 492851162 /nfs/dbraw/zinc/85/11/62/492851162.db2.gz YRKXQUMHBYLCCC-UHFFFAOYSA-N 2 0 350.467 0.374 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652154389 492887960 /nfs/dbraw/zinc/88/79/60/492887960.db2.gz DKKREGWUHDECPI-LUKYLMHMSA-N 2 0 354.495 0.635 20 0 FCADRP C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)C[NH+]1CCN(C)CC1 ZINC000652158561 492889187 /nfs/dbraw/zinc/88/91/87/492889187.db2.gz FPOQEKOUDJEESW-AWEZNQCLSA-N 2 0 351.470 0.967 20 0 FCADRP CCCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000645296000 492889835 /nfs/dbraw/zinc/88/98/35/492889835.db2.gz CBRNNHJWFQOQJK-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000631933470 492891152 /nfs/dbraw/zinc/89/11/52/492891152.db2.gz FGEYYKUPIVZLCP-KRWDZBQOSA-N 2 0 358.552 0.418 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC000631944121 492894324 /nfs/dbraw/zinc/89/43/24/492894324.db2.gz OWYXVXIWFWSFNE-OAHLLOKOSA-N 2 0 356.496 0.189 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000631949541 492896155 /nfs/dbraw/zinc/89/61/55/492896155.db2.gz JFKXJDWTDCJFBA-GOSISDBHSA-N 2 0 372.579 0.665 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000631954513 492897520 /nfs/dbraw/zinc/89/75/20/492897520.db2.gz OQIYRUGVFBSJTN-ZWKOTPCHSA-N 2 0 366.531 0.299 20 0 FCADRP C[NH+](C)CC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(C)(C)C ZINC000631981287 492902858 /nfs/dbraw/zinc/90/28/58/492902858.db2.gz ZMKPHSXMISZKNJ-INIZCTEOSA-N 2 0 362.584 0.910 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652323547 492910689 /nfs/dbraw/zinc/91/06/89/492910689.db2.gz JVVGXRAWNSWKJB-MRXNPFEDSA-N 2 0 351.495 0.230 20 0 FCADRP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000638125462 492910785 /nfs/dbraw/zinc/91/07/85/492910785.db2.gz XZZDGYNSEDEBMJ-UHFFFAOYSA-N 2 0 364.465 0.690 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000638132727 492914112 /nfs/dbraw/zinc/91/41/12/492914112.db2.gz SFKVTTVPXBDFQF-HNAYVOBHSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000638137396 492914938 /nfs/dbraw/zinc/91/49/38/492914938.db2.gz JVMONMHDSFLRNI-JENIJYKNSA-N 2 0 362.518 0.919 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000638137087 492915657 /nfs/dbraw/zinc/91/56/57/492915657.db2.gz RDXRGXVUJHHVKI-UYAOXDASSA-N 2 0 360.502 0.817 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)c2cnc(C[NH3+])nc2)c2ccccc2)CC1 ZINC000638138219 492916057 /nfs/dbraw/zinc/91/60/57/492916057.db2.gz YGHYDJAWUOWEMY-KRWDZBQOSA-N 2 0 354.458 0.654 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@H+]1C ZINC000652427070 492929453 /nfs/dbraw/zinc/92/94/53/492929453.db2.gz VSSMVYKPIICIFB-BBWFWOEESA-N 2 0 353.511 0.127 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638347128 492938447 /nfs/dbraw/zinc/93/84/47/492938447.db2.gz LMYVVXFHJWIWRC-IEBWSBKVSA-N 3 0 360.502 0.863 20 0 FCADRP CC(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000638351023 492939317 /nfs/dbraw/zinc/93/93/17/492939317.db2.gz CDCPNKLKRKOTHA-KRWDZBQOSA-N 2 0 354.520 0.696 20 0 FCADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638361975 492940945 /nfs/dbraw/zinc/94/09/45/492940945.db2.gz WOGGWBUWXLCIQL-UHFFFAOYSA-N 2 0 354.520 0.841 20 0 FCADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000638480267 492951670 /nfs/dbraw/zinc/95/16/70/492951670.db2.gz JNJAEDVTXHONLJ-FQEVSTJZSA-N 2 0 371.485 0.087 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638804860 492979874 /nfs/dbraw/zinc/97/98/74/492979874.db2.gz YEWVTDWWYHXSSY-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H](CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)C1CC[NH2+]CC1 ZINC000638855640 492982839 /nfs/dbraw/zinc/98/28/39/492982839.db2.gz GNFQKDXEMYMXBT-WMLDXEAASA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652676906 492985889 /nfs/dbraw/zinc/98/58/89/492985889.db2.gz KFVKYVWMHOWZMO-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684085 492989689 /nfs/dbraw/zinc/98/96/89/492989689.db2.gz FJJOXYNXPZJXKF-ZOBUZTSGSA-N 2 0 366.506 0.332 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684083 492989858 /nfs/dbraw/zinc/98/98/58/492989858.db2.gz FJJOXYNXPZJXKF-YQQAZPJKSA-N 2 0 366.506 0.332 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638985500 492990926 /nfs/dbraw/zinc/99/09/26/492990926.db2.gz INUKHGDMEHXOMU-MRXNPFEDSA-N 2 0 355.446 0.865 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009476 493000488 /nfs/dbraw/zinc/00/04/88/493000488.db2.gz MDSDRMPXTDVPRX-TZIWHRDSSA-N 2 0 372.513 0.440 20 0 FCADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000639170592 493000560 /nfs/dbraw/zinc/00/05/60/493000560.db2.gz VKWIYPIQPBZJHA-UHFFFAOYSA-N 2 0 366.531 0.793 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000646009626 493000805 /nfs/dbraw/zinc/00/08/05/493000805.db2.gz YCLMNHIBKHYBPN-FGTMMUONSA-N 2 0 352.523 0.535 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009544 493000951 /nfs/dbraw/zinc/00/09/51/493000951.db2.gz QOWCFIMTMGKDQR-MDZRGWNJSA-N 2 0 368.522 0.042 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009542 493001005 /nfs/dbraw/zinc/00/10/05/493001005.db2.gz QOWCFIMTMGKDQR-FRQCXROJSA-N 2 0 368.522 0.042 20 0 FCADRP CO[C@@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCOCC1 ZINC000639262611 493003159 /nfs/dbraw/zinc/00/31/59/493003159.db2.gz ZQXHZZSVPCAVRX-SFHVURJKSA-N 2 0 355.523 0.814 20 0 FCADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000639261044 493003318 /nfs/dbraw/zinc/00/33/18/493003318.db2.gz KFOHHNUXNZYITL-SJORKVTESA-N 2 0 352.523 0.820 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000652723421 493003535 /nfs/dbraw/zinc/00/35/35/493003535.db2.gz ACZLANQYMFOXCP-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000652724117 493003969 /nfs/dbraw/zinc/00/39/69/493003969.db2.gz WATBHCYIIHOKTR-KRWDZBQOSA-N 2 0 366.506 0.063 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000652724508 493004509 /nfs/dbraw/zinc/00/45/09/493004509.db2.gz DLEHLDMEIXWLMA-UHFFFAOYSA-N 2 0 366.506 0.063 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000652726714 493005956 /nfs/dbraw/zinc/00/59/56/493005956.db2.gz KGEUEZJOIOTQTB-NVXWUHKLSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652728832 493006936 /nfs/dbraw/zinc/00/69/36/493006936.db2.gz CNMFAEVLPBYYHN-HZMVEIRTSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000626848786 493035642 /nfs/dbraw/zinc/03/56/42/493035642.db2.gz VSXUAQIMUXRASG-WFASDCNBSA-N 2 0 361.446 0.101 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000626880090 493045729 /nfs/dbraw/zinc/04/57/29/493045729.db2.gz ZUMKWKRKKQLXNP-MAUKXSAKSA-N 2 0 374.485 0.962 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1NC(=O)CC[NH+](C)C ZINC000626914662 493061798 /nfs/dbraw/zinc/06/17/98/493061798.db2.gz ORXJNNAVDBYRAP-CQSZACIVSA-N 2 0 361.446 0.302 20 0 FCADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1OC ZINC000626920551 493063488 /nfs/dbraw/zinc/06/34/88/493063488.db2.gz DROFBERNEHRWDW-HUUCEWRRSA-N 2 0 366.462 0.594 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000626935875 493067526 /nfs/dbraw/zinc/06/75/26/493067526.db2.gz OZJNGJHZFYMBHH-KRWDZBQOSA-N 2 0 361.490 0.486 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116773 493072624 /nfs/dbraw/zinc/07/26/24/493072624.db2.gz SJEMELYHINMSSY-PXNSSMCTSA-N 2 0 359.470 0.496 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124983 493076593 /nfs/dbraw/zinc/07/65/93/493076593.db2.gz ONNCQOARSGBCSM-ZWKOTPCHSA-N 2 0 352.523 0.630 20 0 FCADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638521 493076725 /nfs/dbraw/zinc/07/67/25/493076725.db2.gz CUFZDRZDTYJZCE-MRXNPFEDSA-N 2 0 373.501 0.697 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627011957 493079881 /nfs/dbraw/zinc/07/98/81/493079881.db2.gz NJINSZONBYLMIR-KRWDZBQOSA-N 2 0 350.463 0.370 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)nc1 ZINC000653167739 493081057 /nfs/dbraw/zinc/08/10/57/493081057.db2.gz BNHKNWVXCCAGPU-LPHOPBHVSA-N 2 0 359.474 0.028 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019895 493081497 /nfs/dbraw/zinc/08/14/97/493081497.db2.gz UKEONGVMLGGRGA-GOSISDBHSA-N 2 0 364.490 0.894 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653260797 493087118 /nfs/dbraw/zinc/08/71/18/493087118.db2.gz LGPRJRXKBVZYCK-KSZLIROESA-N 2 0 352.523 0.901 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@@H+](C2CCC2)C1 ZINC000627233324 493113533 /nfs/dbraw/zinc/11/35/33/493113533.db2.gz DVBIJUBAHKRXNT-WMLDXEAASA-N 2 0 361.494 0.828 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000627234802 493114298 /nfs/dbraw/zinc/11/42/98/493114298.db2.gz LJGNLWGHZMTOIB-DJIMGWMZSA-N 2 0 361.494 0.876 20 0 FCADRP CN(C)CCN(CCN(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000640551316 493116381 /nfs/dbraw/zinc/11/63/81/493116381.db2.gz KDJFAFDWNQROBP-UHFFFAOYSA-N 2 0 357.480 0.442 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633079644 493117241 /nfs/dbraw/zinc/11/72/41/493117241.db2.gz YRMFQRUTRRTTBU-BZSNNMDCSA-N 2 0 356.470 0.682 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658978217 493119035 /nfs/dbraw/zinc/11/90/35/493119035.db2.gz IULBXCRRCFHXEH-GOSISDBHSA-N 2 0 371.485 0.817 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633089942 493120630 /nfs/dbraw/zinc/12/06/30/493120630.db2.gz TXWFYZUZVRLYRM-QRVBRYPASA-N 2 0 370.497 0.930 20 0 FCADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633108624 493130189 /nfs/dbraw/zinc/13/01/89/493130189.db2.gz ZBVQEXWAACPHFW-XLAORIBOSA-N 2 0 354.454 0.292 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000633150511 493136809 /nfs/dbraw/zinc/13/68/09/493136809.db2.gz YYBVLLNRQTUMFQ-LSDHHAIUSA-N 2 0 352.479 0.038 20 0 FCADRP CCCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646980798 493139674 /nfs/dbraw/zinc/13/96/74/493139674.db2.gz XZPRAZIYYXPFHT-KRWDZBQOSA-N 2 0 367.538 0.071 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C)C1 ZINC000646988965 493141730 /nfs/dbraw/zinc/14/17/30/493141730.db2.gz YNFGTIHPEDYTRX-RHSMWYFYSA-N 2 0 356.536 0.483 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627303120 493142479 /nfs/dbraw/zinc/14/24/79/493142479.db2.gz HYHBEAWIHRVILG-MSOLQXFVSA-N 2 0 374.485 0.119 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000627305007 493143197 /nfs/dbraw/zinc/14/31/97/493143197.db2.gz LJDYWHOHZBYVRZ-FDYHWXHSSA-N 2 0 364.412 0.571 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316224 493145076 /nfs/dbraw/zinc/14/50/76/493145076.db2.gz CMMWELBOTTWSRW-NWCWSAAOSA-N 2 0 360.502 0.338 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1NC(=O)CC[NH+](C)C ZINC000659096984 493149964 /nfs/dbraw/zinc/14/99/64/493149964.db2.gz ORXJNNAVDBYRAP-AWEZNQCLSA-N 2 0 361.446 0.302 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1C[NH+](C)C ZINC000659110302 493157491 /nfs/dbraw/zinc/15/74/91/493157491.db2.gz AOTULZKVMZOGML-UHFFFAOYSA-N 2 0 372.429 0.266 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627335017 493158921 /nfs/dbraw/zinc/15/89/21/493158921.db2.gz ILMZBYDPHNEGIB-WBVHZDCISA-N 2 0 362.474 0.118 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627345288 493165350 /nfs/dbraw/zinc/16/53/50/493165350.db2.gz HDGODAFTYRAZNC-KRWDZBQOSA-N 2 0 360.458 0.003 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCC(C)CC1 ZINC000627351610 493170774 /nfs/dbraw/zinc/17/07/74/493170774.db2.gz XZJIUSMIHPPFKR-INIZCTEOSA-N 2 0 356.511 0.293 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149355 493173234 /nfs/dbraw/zinc/17/32/34/493173234.db2.gz FPPBQQRRUCGSCY-GOSISDBHSA-N 2 0 371.485 0.738 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000641167204 493174319 /nfs/dbraw/zinc/17/43/19/493174319.db2.gz FMOQBHATZAXNAJ-KRWDZBQOSA-N 2 0 363.510 0.062 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000627357618 493174333 /nfs/dbraw/zinc/17/43/33/493174333.db2.gz LCJXMQGDOPNWNB-MSOLQXFVSA-N 2 0 374.485 0.044 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367085 493181709 /nfs/dbraw/zinc/18/17/09/493181709.db2.gz JUUYUKTXYHOAHV-NVXWUHKLSA-N 2 0 362.474 0.057 20 0 FCADRP C[NH+]1CCN(Cc2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000641229023 493185755 /nfs/dbraw/zinc/18/57/55/493185755.db2.gz FXCJZFBEEXSAIG-HXUWFJFHSA-N 2 0 370.501 0.663 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659506812 493201975 /nfs/dbraw/zinc/20/19/75/493201975.db2.gz WPXVVDVVOBMGML-UHFFFAOYSA-N 2 0 374.533 0.888 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000666617664 493208256 /nfs/dbraw/zinc/20/82/56/493208256.db2.gz QFCRWHSHMDYTPW-INIZCTEOSA-N 2 0 351.495 0.407 20 0 FCADRP COCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659539318 493209705 /nfs/dbraw/zinc/20/97/05/493209705.db2.gz KHUHXYCRJQPPJU-MRXNPFEDSA-N 2 0 354.495 0.555 20 0 FCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659549971 493211231 /nfs/dbraw/zinc/21/12/31/493211231.db2.gz VDSPLTOBOYRFRG-PIIMJCKOSA-N 2 0 355.486 0.858 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000672593303 493211599 /nfs/dbraw/zinc/21/15/99/493211599.db2.gz JIDFRFKGLPFVNK-RHSMWYFYSA-N 2 0 364.465 0.973 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000659567997 493213638 /nfs/dbraw/zinc/21/36/38/493213638.db2.gz TWMBDSOTDDAYGM-MRXNPFEDSA-N 2 0 368.522 0.545 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000659567996 493214134 /nfs/dbraw/zinc/21/41/34/493214134.db2.gz TWMBDSOTDDAYGM-INIZCTEOSA-N 2 0 368.522 0.545 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000659581168 493216199 /nfs/dbraw/zinc/21/61/99/493216199.db2.gz JEKHKHWEAMGMTI-CKEIUWERSA-N 2 0 367.444 0.695 20 0 FCADRP CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](c2ccccc2)C1 ZINC000659632758 493225322 /nfs/dbraw/zinc/22/53/22/493225322.db2.gz FTMLZLMEUPPDFP-OAHLLOKOSA-N 2 0 356.430 0.839 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000672695789 493234708 /nfs/dbraw/zinc/23/47/08/493234708.db2.gz HWZKCADPQCKZQN-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N1CC(N2CC[C@@H](O)C2)C1 ZINC000666950330 493241469 /nfs/dbraw/zinc/24/14/69/493241469.db2.gz PSCXEZNLXUNWFN-BRWVUGGUSA-N 2 0 364.490 0.090 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000659672223 493243100 /nfs/dbraw/zinc/24/31/00/493243100.db2.gz RCLJGNIUQINOHY-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666974349 493243356 /nfs/dbraw/zinc/24/33/56/493243356.db2.gz NVLWOFVLZDEDIH-ZWKOTPCHSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666974348 493243357 /nfs/dbraw/zinc/24/33/57/493243357.db2.gz NVLWOFVLZDEDIH-ROUUACIJSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000666977702 493244005 /nfs/dbraw/zinc/24/40/05/493244005.db2.gz HGIFAZBBRWAGBJ-IRXDYDNUSA-N 2 0 354.495 0.386 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000666976978 493244183 /nfs/dbraw/zinc/24/41/83/493244183.db2.gz UBQHXFDOJUJHAV-NVXWUHKLSA-N 2 0 368.522 0.726 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000659674466 493244755 /nfs/dbraw/zinc/24/47/55/493244755.db2.gz SXTPXTNCVYXYFG-JSGCOSHPSA-N 2 0 366.462 0.147 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000659677963 493247539 /nfs/dbraw/zinc/24/75/39/493247539.db2.gz UXEUKHPIENDEIN-KRWDZBQOSA-N 2 0 374.485 0.257 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000659706201 493264448 /nfs/dbraw/zinc/26/44/48/493264448.db2.gz GPAWWBIEUVJMIS-QAPCUYQASA-N 2 0 360.502 0.993 20 0 FCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659711871 493267890 /nfs/dbraw/zinc/26/78/90/493267890.db2.gz CZDCHRNPFCQFLH-INIZCTEOSA-N 2 0 373.501 0.526 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCC1 ZINC000682089887 493268693 /nfs/dbraw/zinc/26/86/93/493268693.db2.gz TZLHSTKOEJLQNL-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718267 493270576 /nfs/dbraw/zinc/27/05/76/493270576.db2.gz NLBROTMNGLROQZ-SJORKVTESA-N 2 0 366.506 0.380 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCC[NH2+]C1 ZINC000659723389 493272912 /nfs/dbraw/zinc/27/29/12/493272912.db2.gz MQVRESSPAHIZMM-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659725926 493273935 /nfs/dbraw/zinc/27/39/35/493273935.db2.gz AULBRWOQBSAQSJ-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659730796 493276823 /nfs/dbraw/zinc/27/68/23/493276823.db2.gz VHVJAWJYECBXGF-FQEVSTJZSA-N 2 0 373.501 0.607 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659730321 493277094 /nfs/dbraw/zinc/27/70/94/493277094.db2.gz SHOMFFCQRCNIIH-UHFFFAOYSA-N 2 0 373.501 0.607 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000659732253 493277261 /nfs/dbraw/zinc/27/72/61/493277261.db2.gz UMWRDULORCUKPT-GBESFXJTSA-N 2 0 370.497 0.978 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC000659757541 493287138 /nfs/dbraw/zinc/28/71/38/493287138.db2.gz ZPZPRVWGZNYBMV-OKZBNKHCSA-N 2 0 362.518 0.810 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812647 493303392 /nfs/dbraw/zinc/30/33/92/493303392.db2.gz SIYYEHATPXBHSD-GJZGRUSLSA-N 2 0 362.540 0.189 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000668526856 493371074 /nfs/dbraw/zinc/37/10/74/493371074.db2.gz QBZPDFHZWWUKKA-YJBOKZPZSA-N 2 0 370.563 0.777 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982735 493379371 /nfs/dbraw/zinc/37/93/71/493379371.db2.gz NKFKNXDOTXCHEP-SJLPKXTDSA-N 2 0 369.579 0.845 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979980 493379634 /nfs/dbraw/zinc/37/96/34/493379634.db2.gz KVDSSHBOEUOVEI-MAUKXSAKSA-N 3 0 369.579 0.891 20 0 FCADRP Cc1cc(S(N)(=O)=O)oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000668666603 493393897 /nfs/dbraw/zinc/39/38/97/493393897.db2.gz KFTMDZUWZXQZLN-UHFFFAOYSA-N 2 0 374.507 0.581 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201596 493401117 /nfs/dbraw/zinc/40/11/17/493401117.db2.gz XFFKRFXJUCRFAX-ZWKOTPCHSA-N 2 0 362.522 0.652 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000684576970 493420117 /nfs/dbraw/zinc/42/01/17/493420117.db2.gz YXFCESTVXDIFDQ-INIZCTEOSA-N 2 0 369.535 0.824 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000668893142 493430324 /nfs/dbraw/zinc/43/03/24/493430324.db2.gz MXUWFYXJAVRRCG-WMLDXEAASA-N 2 0 350.507 0.824 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000684840533 493433985 /nfs/dbraw/zinc/43/39/85/493433985.db2.gz YHUNKRJTRZXJQV-HUUCEWRRSA-N 2 0 357.524 0.823 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000668989018 493446923 /nfs/dbraw/zinc/44/69/23/493446923.db2.gz OMSFOQUNEPKLBG-SJORKVTESA-N 2 0 358.490 0.727 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000661662975 493456302 /nfs/dbraw/zinc/45/63/02/493456302.db2.gz JFXBBXAHCYZTOT-QFBILLFUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000661662973 493456473 /nfs/dbraw/zinc/45/64/73/493456473.db2.gz JFXBBXAHCYZTOT-LPHOPBHVSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)nc(NC[C@@](C)(O)C[NH+](C)C)c1F ZINC000685273084 493470741 /nfs/dbraw/zinc/47/07/41/493470741.db2.gz PPGSDGCEVRODFX-IAGOWNOFSA-N 2 0 372.489 0.373 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189987 493472622 /nfs/dbraw/zinc/47/26/22/493472622.db2.gz FXUKRCWFJJWTAT-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685304938 493473921 /nfs/dbraw/zinc/47/39/21/493473921.db2.gz RXNNOCHTDFQFKO-HFTRVMKXSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000685519900 493500960 /nfs/dbraw/zinc/50/09/60/493500960.db2.gz KNTNEMBNDLXZGK-INIZCTEOSA-N 2 0 350.507 0.966 20 0 FCADRP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262962 493501976 /nfs/dbraw/zinc/50/19/76/493501976.db2.gz JGIMVFKRMBCSIO-CABCVRRESA-N 2 0 365.478 0.806 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291428 493503853 /nfs/dbraw/zinc/50/38/53/493503853.db2.gz RZEYRBZDBJODAE-WMLDXEAASA-N 2 0 350.507 0.810 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000662292818 493503897 /nfs/dbraw/zinc/50/38/97/493503897.db2.gz OXLUMDUHEWCZHT-HNNXBMFYSA-N 2 0 355.508 0.410 20 0 FCADRP Cn1c2ncn(CC[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000662291371 493503951 /nfs/dbraw/zinc/50/39/51/493503951.db2.gz FYMULHHFZQHHRU-HNNXBMFYSA-N 2 0 374.489 0.145 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000675821647 493504384 /nfs/dbraw/zinc/50/43/84/493504384.db2.gz KLEKQLFNHBUCOZ-GDBMZVCRSA-N 2 0 357.462 0.900 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486517 493506586 /nfs/dbraw/zinc/50/65/86/493506586.db2.gz TYASLZMHXLQTML-ZWKOTPCHSA-N 2 0 367.538 0.600 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486428 493506737 /nfs/dbraw/zinc/50/67/37/493506737.db2.gz FATWCZZYJAXVGG-ULQDDVLXSA-N 2 0 353.511 0.210 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000669529829 493509064 /nfs/dbraw/zinc/50/90/64/493509064.db2.gz FSKVQKVBSXPUPX-KBPBESRZSA-N 2 0 365.444 0.996 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000676001470 493517992 /nfs/dbraw/zinc/51/79/92/493517992.db2.gz KIBVWBZSQAWTOH-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H]([NH2+]C1(CNC(=O)c2cn(CC[NH3+])nn2)CCOCC1)c1ccccc1 ZINC000662461101 493518153 /nfs/dbraw/zinc/51/81/53/493518153.db2.gz ZTABLBOTBLDMFR-HNNXBMFYSA-N 2 0 372.473 0.867 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CC[NH2+]C2 ZINC000662561208 493526149 /nfs/dbraw/zinc/52/61/49/493526149.db2.gz QCMWCKZJLSJQEL-ZDUSSCGKSA-N 2 0 362.421 0.960 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668655 493530798 /nfs/dbraw/zinc/53/07/98/493530798.db2.gz OOZVKUFXIATVOC-HZPDHXFCSA-N 2 0 364.494 0.679 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662714793 493534197 /nfs/dbraw/zinc/53/41/97/493534197.db2.gz BNERZIRVIUFLEM-OAHLLOKOSA-N 2 0 364.412 0.541 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662755459 493539514 /nfs/dbraw/zinc/53/95/14/493539514.db2.gz AUHVDFIUZSYKED-ROUUACIJSA-N 2 0 362.474 0.615 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662865853 493548424 /nfs/dbraw/zinc/54/84/24/493548424.db2.gz PAHVPCWBCWJDHX-BRWVUGGUSA-N 2 0 354.458 0.996 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[NH2+]CCOC2)cc1F ZINC000662870896 493548636 /nfs/dbraw/zinc/54/86/36/493548636.db2.gz OZFFROLMVOQMNE-YCPHGPKFSA-N 2 0 351.422 0.632 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662930533 493555361 /nfs/dbraw/zinc/55/53/61/493555361.db2.gz QZOUEXXNHVGZPJ-IYBDPMFKSA-N 2 0 367.538 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000662950534 493560178 /nfs/dbraw/zinc/56/01/78/493560178.db2.gz MSFAXHMJMAPZPT-LMMKCTJWSA-N 2 0 372.513 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000662953903 493560487 /nfs/dbraw/zinc/56/04/87/493560487.db2.gz RAIUXNGWEPHVMZ-ZHALLVOQSA-N 2 0 372.513 0.971 20 0 FCADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016682 493566642 /nfs/dbraw/zinc/56/66/42/493566642.db2.gz DTJRFNBWKLDTRK-NWDGAFQWSA-N 2 0 356.421 0.508 20 0 FCADRP Cn1ccnc1CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000663217640 493577732 /nfs/dbraw/zinc/57/77/32/493577732.db2.gz OSZPZHKIZCBORB-KHYOSLBOSA-N 2 0 359.474 0.127 20 0 FCADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670628478 493581094 /nfs/dbraw/zinc/58/10/94/493581094.db2.gz FQZAGLXMBIVSNZ-MOPGFXCFSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670628479 493581149 /nfs/dbraw/zinc/58/11/49/493581149.db2.gz FQZAGLXMBIVSNZ-OALUTQOASA-N 2 0 370.497 0.978 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671909 493586949 /nfs/dbraw/zinc/58/69/49/493586949.db2.gz CLUQUCBQOJHAFB-RDJZCZTQSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1COCCN1CCNc1cnc(NCCN2CCOC[C@@H]2C)cn1 ZINC000663545974 493596117 /nfs/dbraw/zinc/59/61/17/493596117.db2.gz DIJDXVJNAAXZLZ-IYBDPMFKSA-N 2 0 364.494 0.742 20 0 FCADRP C[C@@H]1COCCN1CCNc1cnc(NCCN2CCOC[C@H]2C)cn1 ZINC000663545973 493596150 /nfs/dbraw/zinc/59/61/50/493596150.db2.gz DIJDXVJNAAXZLZ-HZPDHXFCSA-N 2 0 364.494 0.742 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670804305 493598129 /nfs/dbraw/zinc/59/81/29/493598129.db2.gz PJOZYOUSTJZIRF-KRWDZBQOSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670804306 493598154 /nfs/dbraw/zinc/59/81/54/493598154.db2.gz PJOZYOUSTJZIRF-QGZVFWFLSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1c(NC[C@](C)(O)C[NH+](C)C)ncnc1NC[C@](C)(O)C[NH+](C)C ZINC000663741721 493615800 /nfs/dbraw/zinc/61/58/00/493615800.db2.gz OJBGFPNFISNZAO-IRXDYDNUSA-N 2 0 354.499 0.234 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000670983746 493620149 /nfs/dbraw/zinc/62/01/49/493620149.db2.gz JJZIWPNCCCHHNQ-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677941437 493626051 /nfs/dbraw/zinc/62/60/51/493626051.db2.gz FWHPNWIIMYNAIO-OTWHNJEPSA-N 2 0 358.486 0.128 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663937713 493626975 /nfs/dbraw/zinc/62/69/75/493626975.db2.gz PLRDBGPPCMKJLR-UHFFFAOYSA-N 2 0 371.526 0.149 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000671071679 493629299 /nfs/dbraw/zinc/62/92/99/493629299.db2.gz GRTBDMFWIZNPIE-QGZVFWFLSA-N 2 0 356.536 0.529 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071929 493629909 /nfs/dbraw/zinc/62/99/09/493629909.db2.gz WGMBEOVHZJVMMI-MAUKXSAKSA-N 2 0 368.547 0.627 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671099211 493632982 /nfs/dbraw/zinc/63/29/82/493632982.db2.gz AEZRFJHVGBNEIA-KSZLIROESA-N 2 0 362.518 0.920 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000671134436 493642090 /nfs/dbraw/zinc/64/20/90/493642090.db2.gz KSNXOEIPPZDFFF-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181567 493642643 /nfs/dbraw/zinc/64/26/43/493642643.db2.gz KNTIRTRQWRIYRN-ZIAGYGMSSA-N 2 0 353.467 0.500 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170695 493645071 /nfs/dbraw/zinc/64/50/71/493645071.db2.gz DXHYJMYBGBCZPU-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CN1CCC(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)([NH+]2CCCCC2)CC1 ZINC000664234285 493646336 /nfs/dbraw/zinc/64/63/36/493646336.db2.gz QFMIVUIPVAHPSK-IRXDYDNUSA-N 3 0 367.538 0.253 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000671374252 493661675 /nfs/dbraw/zinc/66/16/75/493661675.db2.gz GVWQZNTUWVACKP-MRXNPFEDSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664475731 493662295 /nfs/dbraw/zinc/66/22/95/493662295.db2.gz TZFAKYIPXVYQFC-QAETUUGQSA-N 2 0 354.495 0.071 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000671849293 493708472 /nfs/dbraw/zinc/70/84/72/493708472.db2.gz UBPNSHRHXRJNEH-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872627 493709758 /nfs/dbraw/zinc/70/97/58/493709758.db2.gz AHZQOHKUOGJKEM-DOTOQJQBSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000672008784 493724172 /nfs/dbraw/zinc/72/41/72/493724172.db2.gz WAZGZWVATHFAAW-OAHLLOKOSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011016 493724461 /nfs/dbraw/zinc/72/44/61/493724461.db2.gz BXLOKNNKFPMFPJ-WBVHZDCISA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672099034 493735546 /nfs/dbraw/zinc/73/55/46/493735546.db2.gz PEXRMCDOLSFUJH-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672305136 493751883 /nfs/dbraw/zinc/75/18/83/493751883.db2.gz CTXAJDWIJIGPOM-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)nn1 ZINC000666269908 493765624 /nfs/dbraw/zinc/76/56/24/493765624.db2.gz AYRKYQOCZHKORV-INIZCTEOSA-N 2 0 351.499 0.856 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000418839638 534664060 /nfs/dbraw/zinc/66/40/60/534664060.db2.gz DAIGZRPAPXEYFU-CWRNSKLLSA-N 2 0 350.507 0.951 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000410779955 527803319 /nfs/dbraw/zinc/80/33/19/527803319.db2.gz NSHWABPZYDJZDD-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000410845118 527805024 /nfs/dbraw/zinc/80/50/24/527805024.db2.gz QELCWRPUKCFGHL-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000410812502 527843094 /nfs/dbraw/zinc/84/30/94/527843094.db2.gz XWGGWVPUNUONJC-IAGOWNOFSA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410781338 528247938 /nfs/dbraw/zinc/24/79/38/528247938.db2.gz BUOOADPRRIZGNB-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410884073 528890374 /nfs/dbraw/zinc/89/03/74/528890374.db2.gz JFIVNCRYAJCXCP-KRWDZBQOSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000412471061 529053564 /nfs/dbraw/zinc/05/35/64/529053564.db2.gz ZKNHJGSBVYCOIR-KRWDZBQOSA-N 2 0 368.522 0.008 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000411027615 529074990 /nfs/dbraw/zinc/07/49/90/529074990.db2.gz OVASTLAAWKZIOJ-IRXDYDNUSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419973514 535068893 /nfs/dbraw/zinc/06/88/93/535068893.db2.gz JCMPPWOBIHITBO-BRWVUGGUSA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419688443 535071178 /nfs/dbraw/zinc/07/11/78/535071178.db2.gz AQAJMHNFOVLMLV-YESZJQIVSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419155867 535081980 /nfs/dbraw/zinc/08/19/80/535081980.db2.gz SENOFENFQKKYNH-BRSBDYLESA-N 2 0 364.534 0.975 20 0 FCADRP CC(CC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453010360 535174330 /nfs/dbraw/zinc/17/43/30/535174330.db2.gz PLPXMGFRENAOGC-WNRNVDISSA-N 2 0 362.518 0.728 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420079609 535183948 /nfs/dbraw/zinc/18/39/48/535183948.db2.gz INLXMJRVQXCLSK-UHFFFAOYSA-N 2 0 368.522 0.724 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419282715 535218019 /nfs/dbraw/zinc/21/80/19/535218019.db2.gz IOSHZBXLEJKFIM-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419284162 535218870 /nfs/dbraw/zinc/21/88/70/535218870.db2.gz KJVIMXBMVILQNO-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419690040 535439006 /nfs/dbraw/zinc/43/90/06/535439006.db2.gz ULUJRUXKKQPIPT-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419426871 535462363 /nfs/dbraw/zinc/46/23/63/535462363.db2.gz YFPCLNRZOIXACV-UHFFFAOYSA-N 2 0 361.490 0.041 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419819096 535462648 /nfs/dbraw/zinc/46/26/48/535462648.db2.gz NBCXVXCASAMGFH-QGZVFWFLSA-N 2 0 362.474 0.674 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423519888 535542782 /nfs/dbraw/zinc/54/27/82/535542782.db2.gz JOVHJLGLGXLRPV-JKSUJKDBSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419852918 535543773 /nfs/dbraw/zinc/54/37/73/535543773.db2.gz ACLNGYQMYSHYNW-INIZCTEOSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000423595248 535549089 /nfs/dbraw/zinc/54/90/89/535549089.db2.gz PPECWHYSTWIMPH-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)C1 ZINC000423434660 535549507 /nfs/dbraw/zinc/54/95/07/535549507.db2.gz DFGJZTHBTBMDER-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706649 535555010 /nfs/dbraw/zinc/55/50/10/535555010.db2.gz OAGCWESUNYXMEX-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419349106 535556028 /nfs/dbraw/zinc/55/60/28/535556028.db2.gz YFMJACQSXBRIDO-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846087 535596984 /nfs/dbraw/zinc/59/69/84/535596984.db2.gz RALJRHKPVJASSG-ROUUACIJSA-N 2 0 373.501 0.763 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896494 535597380 /nfs/dbraw/zinc/59/73/80/535597380.db2.gz XSKWGIPFJRAQOW-IRXDYDNUSA-N 2 0 359.474 0.373 20 0 FCADRP CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760193 535597494 /nfs/dbraw/zinc/59/74/94/535597494.db2.gz GONKCNDPZAWQNR-YJBOKZPZSA-N 2 0 355.479 0.475 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000419338466 535668803 /nfs/dbraw/zinc/66/88/03/535668803.db2.gz CAIAVRUVKNDURJ-SFHVURJKSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397205 535669628 /nfs/dbraw/zinc/66/96/28/535669628.db2.gz UKBJGVGVCVTLQQ-ROUUACIJSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446378910 535695807 /nfs/dbraw/zinc/69/58/07/535695807.db2.gz XQJHNQBSTFCHOK-FRQCXROJSA-N 2 0 352.523 0.663 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)CC(C)C ZINC000419929235 535713654 /nfs/dbraw/zinc/71/36/54/535713654.db2.gz VJHLOUDWIPKSLH-UHFFFAOYSA-N 2 0 352.523 0.929 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000415352149 535749644 /nfs/dbraw/zinc/74/96/44/535749644.db2.gz JVUKPZWZHQPCTP-HNNXBMFYSA-N 2 0 359.474 0.574 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425387854 535857390 /nfs/dbraw/zinc/85/73/90/535857390.db2.gz OARHNXOOBBLTRF-YESZJQIVSA-N 2 0 366.506 0.108 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419979358 535857578 /nfs/dbraw/zinc/85/75/78/535857578.db2.gz PHFDLHUYSAKCBR-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442605594 535858400 /nfs/dbraw/zinc/85/84/00/535858400.db2.gz DHPMYHIJHHDASE-QGZVFWFLSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419886817 535864448 /nfs/dbraw/zinc/86/44/48/535864448.db2.gz CVPMYKUQBUZQCY-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000419639538 536027779 /nfs/dbraw/zinc/02/77/79/536027779.db2.gz JQTIRJJULXGQOT-RCCFBDPRSA-N 2 0 358.486 0.950 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)C[C@H]2[NH3+])cn1 ZINC000424445264 536034850 /nfs/dbraw/zinc/03/48/50/536034850.db2.gz FPSIAGMHHILHEZ-DLBZAZTESA-N 2 0 370.457 0.374 20 0 FCADRP CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418572205 536050215 /nfs/dbraw/zinc/05/02/15/536050215.db2.gz SJCFBFBPSIWCCJ-FWYOQMDTSA-N 2 0 354.401 0.384 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419418768 536100659 /nfs/dbraw/zinc/10/06/59/536100659.db2.gz YLCMCOQTYYZSMY-GOSISDBHSA-N 2 0 358.486 0.761 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000423361404 536341056 /nfs/dbraw/zinc/34/10/56/536341056.db2.gz RYZXWMRJEAZZHB-KRWDZBQOSA-N 2 0 363.458 0.914 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415355296 536356143 /nfs/dbraw/zinc/35/61/43/536356143.db2.gz GCQZJZZPWPSCMV-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423311168 536367106 /nfs/dbraw/zinc/36/71/06/536367106.db2.gz SUAQFOXUKHQLPI-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419221460 536368843 /nfs/dbraw/zinc/36/88/43/536368843.db2.gz AQJSBOHGSHRUNE-CGTJXYLNSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000415326844 536369236 /nfs/dbraw/zinc/36/92/36/536369236.db2.gz WXJLMKLINURIOB-CYBMUJFWSA-N 2 0 352.410 0.525 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423401758 536415897 /nfs/dbraw/zinc/41/58/97/536415897.db2.gz XHYJYYLLVIWWGR-WMZOPIPTSA-N 2 0 358.486 0.930 20 0 FCADRP COCCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419718552 536550798 /nfs/dbraw/zinc/55/07/98/536550798.db2.gz DSQMOJOZQASBRH-UHFFFAOYSA-N 2 0 362.474 0.249 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419749457 536746048 /nfs/dbraw/zinc/74/60/48/536746048.db2.gz GVWAHVQKDRQJBR-CQSZACIVSA-N 2 0 354.495 0.332 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000419751260 536746781 /nfs/dbraw/zinc/74/67/81/536746781.db2.gz KDPCWNRHXWEQJU-UHFFFAOYSA-N 2 0 356.511 0.435 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736188 546747560 /nfs/dbraw/zinc/74/75/60/546747560.db2.gz JHSIHOBPGKMTAI-BYNSBNAKSA-N 2 0 356.467 0.065 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+](C)C1 ZINC000594283155 546778355 /nfs/dbraw/zinc/77/83/55/546778355.db2.gz CSKPOZJXSUKJJE-PMPSAXMXSA-N 2 0 352.479 0.750 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCN1CCOC ZINC000433405209 546921731 /nfs/dbraw/zinc/92/17/31/546921731.db2.gz DFWFLSFVTJBBJL-CABCVRRESA-N 2 0 350.467 0.385 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(Cl)c1 ZINC000549911504 547073479 /nfs/dbraw/zinc/07/34/79/547073479.db2.gz SWCGJTQXZOZQDD-UHFFFAOYSA-N 2 0 354.882 0.908 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839286 547111280 /nfs/dbraw/zinc/11/12/80/547111280.db2.gz XFRWVAXCZVULBA-QAPCUYQASA-N 2 0 368.547 0.627 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550903010 547113954 /nfs/dbraw/zinc/11/39/54/547113954.db2.gz PSSRRPKAKGQJEL-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000551111841 547125938 /nfs/dbraw/zinc/12/59/38/547125938.db2.gz PCHJWMKCEVCKNK-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551492070 547149669 /nfs/dbraw/zinc/14/96/69/547149669.db2.gz LCIMNCXJPAYBHJ-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000475723658 547334483 /nfs/dbraw/zinc/33/44/83/547334483.db2.gz PWSHROFIEFHUGT-CADBVGFASA-N 2 0 357.539 0.889 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC000950003678 674418171 /nfs/dbraw/zinc/41/81/71/674418171.db2.gz JJHIHHFPHFFGHC-OAGGEKHMSA-N 2 0 350.507 0.632 20 0 FCADRP c1cnc(-c2nn[nH]n2)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000738412201 598351071 /nfs/dbraw/zinc/35/10/71/598351071.db2.gz CDALWTVXGDATAS-UHFFFAOYSA-N 2 0 366.433 0.676 20 0 FCADRP CC1CC[NH+](CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736276214 598518312 /nfs/dbraw/zinc/51/83/12/598518312.db2.gz MYZFGPCRGKTRJM-CQSZACIVSA-N 2 0 359.482 0.817 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000951254776 674453594 /nfs/dbraw/zinc/45/35/94/674453594.db2.gz FPPISINPWAWLJC-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CC1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000825859072 607539464 /nfs/dbraw/zinc/53/94/64/607539464.db2.gz CKDARSVYCZYLOC-MOKVOYLWSA-N 2 0 359.482 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000955345724 674511474 /nfs/dbraw/zinc/51/14/74/674511474.db2.gz DNMOZOYKDOPNQS-GDBMZVCRSA-N 2 0 350.507 0.728 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729496827 665719436 /nfs/dbraw/zinc/71/94/36/665719436.db2.gz KJNVXORUGKLPFI-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000897576503 665737652 /nfs/dbraw/zinc/73/76/52/665737652.db2.gz KJUUFFJRVDMSID-ULQDDVLXSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC000990763646 665930575 /nfs/dbraw/zinc/93/05/75/665930575.db2.gz OPGFUVIWJFDHGN-MKSNKDDYSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1C[NH+](C)C ZINC000899159725 665931014 /nfs/dbraw/zinc/93/10/14/665931014.db2.gz XOFRDLPGMLXBJN-HZPDHXFCSA-N 3 0 352.523 0.295 20 0 FCADRP COCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686625 663188355 /nfs/dbraw/zinc/18/83/55/663188355.db2.gz ICMGESJSETZHGZ-QGTPRVQTSA-N 2 0 353.507 0.816 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000076324888 663212946 /nfs/dbraw/zinc/21/29/46/663212946.db2.gz DLBASWBKDKGIHU-UHFFFAOYSA-N 2 0 354.495 0.855 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC000891236736 663335474 /nfs/dbraw/zinc/33/54/74/663335474.db2.gz CDYQSDSPYKKIAJ-XHSDSOJGSA-N 2 0 354.495 0.853 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)CC[N@@H+]1C ZINC001022103907 663404677 /nfs/dbraw/zinc/40/46/77/663404677.db2.gz OQQJUGQSVDDXJT-OVYGPGRDSA-N 2 0 350.507 0.964 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891481818 663408999 /nfs/dbraw/zinc/40/89/99/663408999.db2.gz HKKQWOUBTBVXAE-OAHLLOKOSA-N 2 0 353.511 0.890 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891538352 663413057 /nfs/dbraw/zinc/41/30/57/663413057.db2.gz VIZPBQQTYYUYKP-GFCCVEGCSA-N 2 0 353.492 0.780 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559637 663415438 /nfs/dbraw/zinc/41/54/38/663415438.db2.gz GSYOXMXGXLXXMB-KBPBESRZSA-N 2 0 359.465 0.699 20 0 FCADRP CN1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@H+](C)CC1 ZINC000888979338 663423837 /nfs/dbraw/zinc/42/38/37/663423837.db2.gz PIWRJKSFEXOUFU-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847657 663444617 /nfs/dbraw/zinc/44/46/17/663444617.db2.gz RVYPCMJEUHHEBI-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C(C[NH+]1CCC[C@H]1C1OCCO1)OCC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933902005 663447626 /nfs/dbraw/zinc/44/76/26/663447626.db2.gz YMEQBDNJCBKRDK-HOTGVXAUSA-N 2 0 356.463 0.678 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891973721 663460007 /nfs/dbraw/zinc/46/00/07/663460007.db2.gz XIWYTDBDHCTDGO-IAGOWNOFSA-N 2 0 353.511 0.224 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891980452 663461020 /nfs/dbraw/zinc/46/10/20/663461020.db2.gz VJYIOMGNQMONDI-SJORKVTESA-N 2 0 353.511 0.082 20 0 FCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892090093 663474903 /nfs/dbraw/zinc/47/49/03/663474903.db2.gz CMRFLJFHRMSDJT-LSDHHAIUSA-N 2 0 351.495 0.500 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000892108014 663477206 /nfs/dbraw/zinc/47/72/06/663477206.db2.gz OSZFVJRQUXMCPV-JHJVBQTASA-N 2 0 351.417 0.639 20 0 FCADRP C[N@@H+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1(C)C ZINC000892108976 663477392 /nfs/dbraw/zinc/47/73/92/663477392.db2.gz XUBFQNMILBGZGL-CYBMUJFWSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892174540 663485311 /nfs/dbraw/zinc/48/53/11/663485311.db2.gz FGIHXFUTROWWBK-BRWVUGGUSA-N 2 0 353.511 0.210 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000892191086 663488308 /nfs/dbraw/zinc/48/83/08/663488308.db2.gz JVYNZSSPYMBIIG-QXDIGNSFSA-N 3 0 351.539 0.755 20 0 FCADRP [NH3+]CCCCCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892212024 663492877 /nfs/dbraw/zinc/49/28/77/663492877.db2.gz OYSQKPOKUGEWHI-KRWDZBQOSA-N 2 0 355.527 0.601 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938197650 665971359 /nfs/dbraw/zinc/97/13/59/665971359.db2.gz JVIJLOHTPMEDBJ-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCCN2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637410 /nfs/dbraw/zinc/63/74/10/663637410.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 0 356.511 0.848 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000892481860 663961243 /nfs/dbraw/zinc/96/12/43/663961243.db2.gz SNVCLJDBFGWTHX-GJZGRUSLSA-N 2 0 353.511 0.794 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000892481862 663961401 /nfs/dbraw/zinc/96/14/01/663961401.db2.gz SNVCLJDBFGWTHX-LSDHHAIUSA-N 2 0 353.511 0.794 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000892648550 664059125 /nfs/dbraw/zinc/05/91/25/664059125.db2.gz FGIOPKNXHMUATN-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@H](C)N1CCOCC1 ZINC000892837531 664148999 /nfs/dbraw/zinc/14/89/99/664148999.db2.gz CTOUOGCLXLAOCL-NXOAAHMSSA-N 2 0 354.495 0.336 20 0 FCADRP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000936083426 664149541 /nfs/dbraw/zinc/14/95/41/664149541.db2.gz UOUCKMUMEZMPTG-RHSMWYFYSA-N 2 0 350.507 0.728 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892935871 664159779 /nfs/dbraw/zinc/15/97/79/664159779.db2.gz WFUQAFQXLOLGEQ-MCIONIFRSA-N 2 0 351.451 0.177 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892944933 664177198 /nfs/dbraw/zinc/17/71/98/664177198.db2.gz XCUKPMQXQFSIOQ-BRWVUGGUSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789513 664190547 /nfs/dbraw/zinc/19/05/47/664190547.db2.gz CTNKHICPVNKWSK-HZYJHYJVSA-N 2 0 351.491 0.161 20 0 FCADRP Cc1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)[nH]1 ZINC001026514444 664239458 /nfs/dbraw/zinc/23/94/58/664239458.db2.gz DIWLTLUZBWDRGY-GALLPEHLSA-N 2 0 350.467 0.349 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001026853513 664271715 /nfs/dbraw/zinc/27/17/15/664271715.db2.gz JKDYUQWTRNZVIO-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCSC1 ZINC000893418506 664356754 /nfs/dbraw/zinc/35/67/54/664356754.db2.gz YHVYPXXVJRLNMH-INMHGKMJSA-N 2 0 356.536 0.664 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC000976609506 664392270 /nfs/dbraw/zinc/39/22/70/664392270.db2.gz NNALZEKTLLRSRF-SJRVDFGRSA-N 2 0 350.507 0.630 20 0 FCADRP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415707 664396162 /nfs/dbraw/zinc/39/61/62/664396162.db2.gz PXALRNHTBATFJX-KSZLIROESA-N 2 0 353.507 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000978668815 664442124 /nfs/dbraw/zinc/44/21/24/664442124.db2.gz RBRDUVFBWKDMML-NNXHMXCWSA-N 2 0 350.507 0.822 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043278 664816574 /nfs/dbraw/zinc/81/65/74/664816574.db2.gz KOWGYQIYRFGPDZ-KURKYZTESA-N 2 0 351.491 0.857 20 0 FCADRP COC(=O)[C@H]1[C@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1(F)F ZINC000894210434 664924999 /nfs/dbraw/zinc/92/49/99/664924999.db2.gz GEHLEUWFQKDDGI-UONOGXRCSA-N 2 0 354.401 0.977 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C)CC[NH+](C)CC2)CCCO1 ZINC000894448168 664967436 /nfs/dbraw/zinc/96/74/36/664967436.db2.gz LLDAZZVERXWDFS-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000985065845 665130096 /nfs/dbraw/zinc/13/00/96/665130096.db2.gz NYFFSIPXASQSFC-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCNC(=S)NC1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000007572044 665162454 /nfs/dbraw/zinc/16/24/54/665162454.db2.gz JFUIENRGQXFHIL-UHFFFAOYSA-N 2 0 374.624 0.349 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000985442814 665167630 /nfs/dbraw/zinc/16/76/30/665167630.db2.gz SKXQFOBQYPLAPD-HLLBOEOZSA-N 2 0 371.547 0.684 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713898 666063288 /nfs/dbraw/zinc/06/32/88/666063288.db2.gz LNJFJLFNDUMJKW-QZTJIDSGSA-N 2 0 352.523 0.631 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713899 666063451 /nfs/dbraw/zinc/06/34/51/666063451.db2.gz LNJFJLFNDUMJKW-ROUUACIJSA-N 2 0 352.523 0.631 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000907400337 666128863 /nfs/dbraw/zinc/12/88/63/666128863.db2.gz MLIWNOFVGROXEP-UHFFFAOYSA-N 2 0 368.503 0.949 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000908604998 666213420 /nfs/dbraw/zinc/21/34/20/666213420.db2.gz BJZAWDYMKXPPAV-UHFFFAOYSA-N 2 0 354.539 0.754 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000909032510 666223870 /nfs/dbraw/zinc/22/38/70/666223870.db2.gz JBCVJZDAUTXMSF-HDICACEKSA-N 2 0 354.539 0.706 20 0 FCADRP CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000910944881 666300407 /nfs/dbraw/zinc/30/04/07/666300407.db2.gz YENPFBLEKGAJHI-HUUCEWRRSA-N 2 0 356.511 0.137 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911027962 666303791 /nfs/dbraw/zinc/30/37/91/666303791.db2.gz GECSJXAQINVJIS-OVYGPGRDSA-N 2 0 350.507 0.537 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000911417813 666346726 /nfs/dbraw/zinc/34/67/26/666346726.db2.gz DGFBKMOGWHNQFV-KSZLIROESA-N 2 0 352.523 0.506 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000911529219 666362199 /nfs/dbraw/zinc/36/21/99/666362199.db2.gz AIQSXZJWODDLEN-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@@H](C)O1 ZINC000911564293 666366939 /nfs/dbraw/zinc/36/69/39/666366939.db2.gz SJFQCPUHDBNZSE-BZUAXINKSA-N 2 0 354.495 0.250 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000913179128 666510182 /nfs/dbraw/zinc/51/01/82/666510182.db2.gz FCSWFWHRNGRTLD-NTDBWNAOSA-N 2 0 353.507 0.933 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939481283 666517242 /nfs/dbraw/zinc/51/72/42/666517242.db2.gz FRZXDJFTFVYISV-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000940298608 666545599 /nfs/dbraw/zinc/54/55/99/666545599.db2.gz VLHCFEYVUHCSOH-ZMSDIMECSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC000940298607 666545665 /nfs/dbraw/zinc/54/56/65/666545665.db2.gz VLHCFEYVUHCSOH-BFYDXBDKSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000940770995 666561700 /nfs/dbraw/zinc/56/17/00/666561700.db2.gz AQYYTNISNJPGIY-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000947339275 666598074 /nfs/dbraw/zinc/59/80/74/666598074.db2.gz DFUGNMPMKQUGQL-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000941309693 666609772 /nfs/dbraw/zinc/60/97/72/666609772.db2.gz JVIJLOHTPMEDBJ-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174716576 666633977 /nfs/dbraw/zinc/63/39/77/666633977.db2.gz RRJQDZPHPPCEEJ-CYBMUJFWSA-N 2 0 367.519 0.743 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942816198 666751322 /nfs/dbraw/zinc/75/13/22/666751322.db2.gz PWKRGJROMBSCAN-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995827638 666891824 /nfs/dbraw/zinc/89/18/24/666891824.db2.gz AIVLIDVFNDHBSS-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000734274695 666958515 /nfs/dbraw/zinc/95/85/15/666958515.db2.gz LIYDVCQENMZMIR-DOTOQJQBSA-N 2 0 354.495 0.602 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224706 667064375 /nfs/dbraw/zinc/06/43/75/667064375.db2.gz SRMYHDLISKNARC-DOTOQJQBSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000997787402 667175963 /nfs/dbraw/zinc/17/59/63/667175963.db2.gz ZQQFUDSFYMAWPK-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000999189678 667230041 /nfs/dbraw/zinc/23/00/41/667230041.db2.gz MVNSVGYJURJHHX-DJIMGWMZSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC001003043486 667594087 /nfs/dbraw/zinc/59/40/87/667594087.db2.gz NEWNQRMSVKITRA-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946594936 667674945 /nfs/dbraw/zinc/67/49/45/667674945.db2.gz AFAQTSVLVGDMMC-WCXIOVBPSA-N 2 0 350.507 0.585 20 0 FCADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033292239 667727047 /nfs/dbraw/zinc/72/70/47/667727047.db2.gz RUCIEJJTCOIQGM-BBWFWOEESA-N 2 0 355.479 0.045 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001033838428 667739622 /nfs/dbraw/zinc/73/96/22/667739622.db2.gz OIMBCGNZRHZHBG-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001034215068 667749068 /nfs/dbraw/zinc/74/90/68/667749068.db2.gz VPFPVMWRJXTSLO-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923346255 667827106 /nfs/dbraw/zinc/82/71/06/667827106.db2.gz QOXQYDFIJSRMJT-HZPDHXFCSA-N 2 0 353.438 0.885 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000761676983 667893445 /nfs/dbraw/zinc/89/34/45/667893445.db2.gz GBQYCYPVOWFGHU-JKSUJKDBSA-N 2 0 354.495 0.384 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000103212165 667956571 /nfs/dbraw/zinc/95/65/71/667956571.db2.gz UHWQKGTZTXITNG-UHFFFAOYSA-N 2 0 356.492 0.624 20 0 FCADRP CC[NH+](CC)C[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743387042 668047453 /nfs/dbraw/zinc/04/74/53/668047453.db2.gz CXCKOPRAWRVIQD-OAHLLOKOSA-N 2 0 351.495 0.624 20 0 FCADRP COc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc1Cl ZINC000767762273 668060051 /nfs/dbraw/zinc/06/00/51/668060051.db2.gz IGCXMICTCNSHFD-UHFFFAOYSA-N 2 0 364.899 0.858 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000788252024 668821434 /nfs/dbraw/zinc/82/14/34/668821434.db2.gz NLAYBJIKJHCHEQ-YOEHRIQHSA-N 2 0 356.536 0.531 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC000788484825 668829959 /nfs/dbraw/zinc/82/99/59/668829959.db2.gz PFFLAHDSFCCDBM-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701383 668942972 /nfs/dbraw/zinc/94/29/72/668942972.db2.gz PYGVQOJPNMOIEB-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000793704857 668943558 /nfs/dbraw/zinc/94/35/58/668943558.db2.gz CVNYIOTXASQJAZ-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058045 668975181 /nfs/dbraw/zinc/97/51/81/668975181.db2.gz CYWZRFXRUJKVPX-QAPCUYQASA-N 2 0 358.527 0.735 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000819058451 668975358 /nfs/dbraw/zinc/97/53/58/668975358.db2.gz LOGRXBZJMSNTGF-MAUKXSAKSA-N 2 0 369.531 0.597 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819061609 668975720 /nfs/dbraw/zinc/97/57/20/668975720.db2.gz LSOKTLKFIZGDCE-OAHLLOKOSA-N 2 0 358.527 0.878 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000819287916 668994237 /nfs/dbraw/zinc/99/42/37/668994237.db2.gz SENZKGVEOHUYHB-HNNXBMFYSA-N 2 0 358.527 0.878 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804048877 669353847 /nfs/dbraw/zinc/35/38/47/669353847.db2.gz ABZLISOHJSJUEA-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814206668 669877985 /nfs/dbraw/zinc/87/79/85/669877985.db2.gz DRHDOYGTAWKPGG-INIZCTEOSA-N 2 0 369.579 0.927 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000817946213 670050102 /nfs/dbraw/zinc/05/01/02/670050102.db2.gz UQOMUVNHQBUHBV-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817962260 670051399 /nfs/dbraw/zinc/05/13/99/670051399.db2.gz KDRRKCKGJDVCCO-RYUDHWBXSA-N 2 0 363.505 0.658 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000965937160 675112215 /nfs/dbraw/zinc/11/22/15/675112215.db2.gz UCTMUQIBXHTJED-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCCCC1 ZINC000842014884 670625958 /nfs/dbraw/zinc/62/59/58/670625958.db2.gz GCPPFDWSUAWABL-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000842050240 670630277 /nfs/dbraw/zinc/63/02/77/670630277.db2.gz RTKTZTHMPYGMJH-DNVCBOLYSA-N 2 0 350.507 0.968 20 0 FCADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476649 670692903 /nfs/dbraw/zinc/69/29/03/670692903.db2.gz DIKWTJWZAYYBHU-CVEARBPZSA-N 2 0 352.479 0.940 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484486 670695266 /nfs/dbraw/zinc/69/52/66/670695266.db2.gz LYHMSMDXTJDWSM-MRXNPFEDSA-N 2 0 355.508 0.578 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842796467 670734119 /nfs/dbraw/zinc/73/41/19/670734119.db2.gz FUJOBBZHWUBUJG-UHFFFAOYSA-N 2 0 355.508 0.610 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000843261053 670789468 /nfs/dbraw/zinc/78/94/68/670789468.db2.gz BCWDXZCFOQJSFB-UHFFFAOYSA-N 2 0 354.495 0.193 20 0 FCADRP Cc1ccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1S(N)(=O)=O ZINC000843355237 670804784 /nfs/dbraw/zinc/80/47/84/670804784.db2.gz NYKYBVHCMIWLMS-UHFFFAOYSA-N 2 0 354.476 0.783 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000843388945 670811873 /nfs/dbraw/zinc/81/18/73/670811873.db2.gz YUAFYJQDBWLEHK-JKSUJKDBSA-N 2 0 352.479 0.609 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706831 671139251 /nfs/dbraw/zinc/13/92/51/671139251.db2.gz QMRIPATVDOPFFQ-QWHCGFSZSA-N 2 0 351.451 0.474 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000968015872 675178612 /nfs/dbraw/zinc/17/86/12/675178612.db2.gz SANICWUUGUTARF-BFYDXBDKSA-N 2 0 350.507 0.728 20 0 FCADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968112664 675184289 /nfs/dbraw/zinc/18/42/89/675184289.db2.gz CGXBIIOTSXPKQW-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051251 671316391 /nfs/dbraw/zinc/31/63/91/671316391.db2.gz CSLIROYUTHFPTP-OLZOCXBDSA-N 2 0 351.417 0.848 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CC1 ZINC001048825367 675899144 /nfs/dbraw/zinc/89/91/44/675899144.db2.gz SDHAZPFIKGNZTJ-XDNAFOTISA-N 2 0 351.491 0.116 20 0 FCADRP C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000903511405 675935942 /nfs/dbraw/zinc/93/59/42/675935942.db2.gz RSABTAKVGCNRGG-LVYXFOGZSA-N 2 0 350.507 0.523 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC000903522151 675938085 /nfs/dbraw/zinc/93/80/85/675938085.db2.gz NISSLVIIUXABLP-APWZRJJASA-N 2 0 350.507 0.919 20 0 FCADRP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000859271897 671806281 /nfs/dbraw/zinc/80/62/81/671806281.db2.gz JFINGEFHZUDJHU-USTZCAOPSA-N 2 0 374.598 0.858 20 0 FCADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724410 675964008 /nfs/dbraw/zinc/96/40/08/675964008.db2.gz NFHIRKRSWJABHM-HZPDHXFCSA-N 2 0 359.536 0.939 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000861729030 671988110 /nfs/dbraw/zinc/98/81/10/671988110.db2.gz RZNWNMMWUHPQTI-OAHLLOKOSA-N 2 0 354.495 0.191 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861914614 672009074 /nfs/dbraw/zinc/00/90/74/672009074.db2.gz ULKXOLZTLQLGJY-LJISPDSOSA-N 2 0 354.495 0.850 20 0 FCADRP O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000863553333 672137550 /nfs/dbraw/zinc/13/75/50/672137550.db2.gz ZPXQIDARXAKJKI-CYBMUJFWSA-N 2 0 373.441 0.594 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000863754744 672150132 /nfs/dbraw/zinc/15/01/32/672150132.db2.gz VOOOAVBLWVSVJM-LBPRGKRZSA-N 2 0 356.417 0.661 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000864085787 672174354 /nfs/dbraw/zinc/17/43/54/672174354.db2.gz DZWFCXGVGTYBDI-FGTMMUONSA-N 2 0 351.491 0.855 20 0 FCADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(F)(F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865915799 672255418 /nfs/dbraw/zinc/25/54/18/672255418.db2.gz HMEIJTSIKSPGJQ-RYUDHWBXSA-N 2 0 356.417 0.328 20 0 FCADRP C[NH+]1CCC[C@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000865932647 672256324 /nfs/dbraw/zinc/25/63/24/672256324.db2.gz XTVOHAFXBSZUAQ-ZIAGYGMSSA-N 2 0 360.449 0.538 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000868303713 672393313 /nfs/dbraw/zinc/39/33/13/672393313.db2.gz LPZWOANJPFTCLV-TXEJJXNPSA-N 2 0 352.410 0.558 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3CCC3)CC2)CC[N@@H+]1C ZINC001055490166 676021293 /nfs/dbraw/zinc/02/12/93/676021293.db2.gz HKWPOBYJMAOTKC-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055633433 676028726 /nfs/dbraw/zinc/02/87/26/676028726.db2.gz NXPMYSUOCBHRFG-DNVCBOLYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923628933 672538617 /nfs/dbraw/zinc/53/86/17/672538617.db2.gz QKYGTUWZHZUOTC-HOTGVXAUSA-N 2 0 366.531 0.883 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055650955 676029730 /nfs/dbraw/zinc/02/97/30/676029730.db2.gz CAOHSOZDFHVTHV-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055650957 676029779 /nfs/dbraw/zinc/02/97/79/676029779.db2.gz CAOHSOZDFHVTHV-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP COC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600882 672563721 /nfs/dbraw/zinc/56/37/21/672563721.db2.gz FUKDDVCTEJSBHK-CABCVRRESA-N 2 0 353.463 0.731 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000873311316 672713936 /nfs/dbraw/zinc/71/39/36/672713936.db2.gz QODNVAWCOSAFNT-AWEZNQCLSA-N 2 0 350.467 0.725 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001000706254 676059844 /nfs/dbraw/zinc/05/98/44/676059844.db2.gz ZGJJRLWRWULQTG-BHYGNILZSA-N 2 0 350.507 0.942 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000878980793 673091771 /nfs/dbraw/zinc/09/17/71/673091771.db2.gz FJGIRLFTDUORBA-WNRNVDISSA-N 2 0 374.598 0.330 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880212241 673181301 /nfs/dbraw/zinc/18/13/01/673181301.db2.gz HBABIYIGMAOUHL-GOSISDBHSA-N 2 0 352.523 0.820 20 0 FCADRP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000882493455 673316080 /nfs/dbraw/zinc/31/60/80/673316080.db2.gz HRNRASFTRSIOBU-YYIAUSFCSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1cc(Cl)ncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130548485 673361500 /nfs/dbraw/zinc/36/15/00/673361500.db2.gz BJKPCANVALVWSD-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])CC(F)(F)F)C1 ZINC000883445305 673376241 /nfs/dbraw/zinc/37/62/41/673376241.db2.gz SJQASLGNKJLCGY-ZDUSSCGKSA-N 2 0 354.417 0.282 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884491228 673456889 /nfs/dbraw/zinc/45/68/89/673456889.db2.gz PUXLJRUJHSFXPU-YVECIDJPSA-N 2 0 364.412 0.571 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000884529729 673460120 /nfs/dbraw/zinc/46/01/20/673460120.db2.gz VCZLDZKSVNDIFV-QWRGUYRKSA-N 2 0 350.385 0.183 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884546733 673461031 /nfs/dbraw/zinc/46/10/31/673461031.db2.gz SHWCARIIWINPGX-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560392 673462367 /nfs/dbraw/zinc/46/23/67/673462367.db2.gz WULPOIOTZSLCFG-CABCVRRESA-N 2 0 352.479 0.086 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884576174 673463150 /nfs/dbraw/zinc/46/31/50/673463150.db2.gz BKBHGEZIMFDPQI-APWZRJJASA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598264 673464811 /nfs/dbraw/zinc/46/48/11/673464811.db2.gz XBFXPOOUVIKFHR-JTDSTZFVSA-N 2 0 350.507 0.683 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884603290 673465038 /nfs/dbraw/zinc/46/50/38/673465038.db2.gz GMTHQPGFQFJVHP-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603572 673465350 /nfs/dbraw/zinc/46/53/50/673465350.db2.gz MEQNUDBBZQLIMF-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000884638572 673468765 /nfs/dbraw/zinc/46/87/65/673468765.db2.gz CANNOUGOIPANME-UHFFFAOYSA-N 2 0 356.536 0.708 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000884645037 673469505 /nfs/dbraw/zinc/46/95/05/673469505.db2.gz NZQLWQYFNRJQRI-KBPBESRZSA-N 2 0 360.449 0.728 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884664669 673470624 /nfs/dbraw/zinc/47/06/24/673470624.db2.gz RPRDFGWIGAEPMW-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884665235 673470727 /nfs/dbraw/zinc/47/07/27/673470727.db2.gz MEFNNWMIZLBTFJ-LLVKDONJSA-N 2 0 353.492 0.333 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884726037 673477825 /nfs/dbraw/zinc/47/78/25/673477825.db2.gz FIHVIMUWXWNGQP-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000884787721 673482202 /nfs/dbraw/zinc/48/22/02/673482202.db2.gz ZWVNPODGPBQYRC-ZBFHGGJFSA-N 2 0 352.479 0.086 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000884787718 673482371 /nfs/dbraw/zinc/48/23/71/673482371.db2.gz ZWVNPODGPBQYRC-GDBMZVCRSA-N 2 0 352.479 0.086 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000884812431 673483391 /nfs/dbraw/zinc/48/33/91/673483391.db2.gz PVWOSFMMGORXOD-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878946 673488316 /nfs/dbraw/zinc/48/83/16/673488316.db2.gz OEPBZDKAUAKANA-JKSUJKDBSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884975723 673494980 /nfs/dbraw/zinc/49/49/80/673494980.db2.gz GPQZIEWBNBRSRG-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000884976706 673495224 /nfs/dbraw/zinc/49/52/24/673495224.db2.gz XUUUVFGWESRBDV-HOCLYGCPSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885011251 673497931 /nfs/dbraw/zinc/49/79/31/673497931.db2.gz HXIHFZZDLLJHOO-TXCZRRACSA-N 2 0 350.507 0.822 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885192947 673507705 /nfs/dbraw/zinc/50/77/05/673507705.db2.gz MDLSYQPOTPKZHD-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285566 673512300 /nfs/dbraw/zinc/51/23/00/673512300.db2.gz QXHNSZCTSZMVRF-KGLIPLIRSA-N 2 0 360.449 0.442 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887081308 673620725 /nfs/dbraw/zinc/62/07/25/673620725.db2.gz QFHROFZIRUBRKT-GOSISDBHSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000887083147 673621024 /nfs/dbraw/zinc/62/10/24/673621024.db2.gz RHGNFCYJEUMWBD-LJQANCHMSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130332 673704314 /nfs/dbraw/zinc/70/43/14/673704314.db2.gz QDJGYMLYVBKFKZ-SJORKVTESA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130330 673704486 /nfs/dbraw/zinc/70/44/86/673704486.db2.gz QDJGYMLYVBKFKZ-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000927633756 673871942 /nfs/dbraw/zinc/87/19/42/673871942.db2.gz CLAMSNCWWRHSQK-HLLBOEOZSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001011130319 675374310 /nfs/dbraw/zinc/37/43/10/675374310.db2.gz AYXPNPAGFPIYQH-NVXWUHKLSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001011207978 675376529 /nfs/dbraw/zinc/37/65/29/675376529.db2.gz FEMHYEVWJINQGB-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001011209177 675376790 /nfs/dbraw/zinc/37/67/90/675376790.db2.gz LKBXOYHEOJNBGE-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001011211559 675377237 /nfs/dbraw/zinc/37/72/37/675377237.db2.gz AOWSWWTZAFLPOB-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001014504124 675391516 /nfs/dbraw/zinc/39/15/16/675391516.db2.gz UWYNBXSZCOCJHX-SOUVJXGZSA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NC)C3)CC[N@@H+]1C ZINC001040209542 675460087 /nfs/dbraw/zinc/46/00/87/675460087.db2.gz KBNJLCQOQKFEGF-FRQCXROJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@H](C)C(N)=O)CC3)CC[N@@H+]1C ZINC001040707959 675469208 /nfs/dbraw/zinc/46/92/08/675469208.db2.gz MKGGMAHRAJKBAC-OWCLPIDISA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001045443963 675653735 /nfs/dbraw/zinc/65/37/35/675653735.db2.gz ACEXSPXPDLELQA-XHSDSOJGSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001045441003 675653751 /nfs/dbraw/zinc/65/37/51/675653751.db2.gz UCYUPNKEAZRMEM-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443391 675682700 /nfs/dbraw/zinc/68/27/00/675682700.db2.gz WNLHZVOEALPXTJ-MSOLQXFVSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000900693538 675708070 /nfs/dbraw/zinc/70/80/70/675708070.db2.gz WIUDCEQLWPRRPA-GOSISDBHSA-N 2 0 353.555 0.402 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000900694262 675708436 /nfs/dbraw/zinc/70/84/36/675708436.db2.gz CJTVMEVMKKMLOZ-GOSISDBHSA-N 2 0 353.555 0.545 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001046329711 675708685 /nfs/dbraw/zinc/70/86/85/675708685.db2.gz QVKXKQRGIOLBSB-HBUWYVDXSA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001046331024 675709181 /nfs/dbraw/zinc/70/91/81/675709181.db2.gz ZWEIBEMASUBJCA-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900732575 675711514 /nfs/dbraw/zinc/71/15/14/675711514.db2.gz MPAQBKUHOMLNAH-KURKYZTESA-N 2 0 350.507 0.526 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000900812533 675719891 /nfs/dbraw/zinc/71/98/91/675719891.db2.gz WDYBHZFYRHOOIC-ZWKOTPCHSA-N 2 0 353.555 0.543 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)CC[NH2+]CC1 ZINC000902455253 675852391 /nfs/dbraw/zinc/85/23/91/675852391.db2.gz XLQGHKDMDXFTCB-AWEZNQCLSA-N 2 0 361.508 0.323 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001772503057 1167729347 /nfs/dbraw/zinc/72/93/47/1167729347.db2.gz PMUFSADORQZEOM-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)CC[N@@H+]1C ZINC001020415984 1167808709 /nfs/dbraw/zinc/80/87/09/1167808709.db2.gz PNYSKHIJFHQYSA-LUKYLMHMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000897517528 1192288233 /nfs/dbraw/zinc/28/82/33/1192288233.db2.gz AXBHMGVYSUUWNI-INIZCTEOSA-N 2 0 365.522 0.986 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001167095537 1168200534 /nfs/dbraw/zinc/20/05/34/1168200534.db2.gz CZEJRBSWKLLLMK-SQNIBIBYSA-N 2 0 358.486 0.706 20 0 FCADRP COc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cn1 ZINC000969958145 1168235132 /nfs/dbraw/zinc/23/51/32/1168235132.db2.gz IZPHGBDYSKCAPA-JKIFEVAISA-N 2 0 362.474 0.746 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088605400 1192306946 /nfs/dbraw/zinc/30/69/46/1192306946.db2.gz RQXIURHRRBTCLS-OWCLPIDISA-N 2 0 364.490 0.589 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104265173 1168848126 /nfs/dbraw/zinc/84/81/26/1168848126.db2.gz WILNQPZCUMZNKV-BZUAXINKSA-N 2 0 363.510 0.659 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001021263391 1168883782 /nfs/dbraw/zinc/88/37/82/1168883782.db2.gz TVBRAVHGIRPPNH-AKBNIOSXSA-N 2 0 363.506 0.463 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1)[NH+](C)C ZINC001021489255 1169469149 /nfs/dbraw/zinc/46/91/49/1169469149.db2.gz RKJKCSBUXHCCMP-DAYGRLMNSA-N 2 0 361.490 0.988 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CCC1 ZINC001021941819 1170329866 /nfs/dbraw/zinc/32/98/66/1170329866.db2.gz TYLLSWWNMJAMIW-DOTOQJQBSA-N 2 0 360.502 0.626 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891397896 1170345181 /nfs/dbraw/zinc/34/51/81/1170345181.db2.gz XIVJCKNEALBQRE-QXSJWSMHSA-N 2 0 365.478 0.437 20 0 FCADRP C[C@H](O)C[NH+](Cc1cccc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1)[C@@H](C)CO ZINC000276220770 1170360763 /nfs/dbraw/zinc/36/07/63/1170360763.db2.gz QOBJUSGOLXSYHG-XSLAGTTESA-N 2 0 368.518 0.814 20 0 FCADRP C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087158238 1170406996 /nfs/dbraw/zinc/40/69/96/1170406996.db2.gz SOOYHUSOSIKKJI-HZSPNIEDSA-N 2 0 361.446 0.364 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000891602700 1170710818 /nfs/dbraw/zinc/71/08/18/1170710818.db2.gz LLTYBUBUJNIMPG-APWZRJJASA-N 2 0 359.518 0.884 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218759 1170766067 /nfs/dbraw/zinc/76/60/67/1170766067.db2.gz DXCVSDDNCGIDPD-YESZJQIVSA-N 2 0 360.502 0.626 20 0 FCADRP O=C(N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001022217750 1170767342 /nfs/dbraw/zinc/76/73/42/1170767342.db2.gz YNUFBPUWNFBXBB-JKSUJKDBSA-N 2 0 358.486 0.237 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891674411 1170805555 /nfs/dbraw/zinc/80/55/55/1170805555.db2.gz XVKBFACMLHTWBD-JJXSEGSLSA-N 2 0 365.478 0.437 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001691232127 1170875652 /nfs/dbraw/zinc/87/56/52/1170875652.db2.gz OQHGXGRJHILICT-BBWFWOEESA-N 2 0 365.522 0.761 20 0 FCADRP Cn1ccnc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001022377429 1170896460 /nfs/dbraw/zinc/89/64/60/1170896460.db2.gz MMXZGITWJFPBRQ-ARFHVFGLSA-N 2 0 359.474 0.506 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855625 1170986268 /nfs/dbraw/zinc/98/62/68/1170986268.db2.gz LGHUULIYFFKPRN-SJORKVTESA-N 2 0 368.522 0.945 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)C1 ZINC001691268595 1171003053 /nfs/dbraw/zinc/00/30/53/1171003053.db2.gz VKBQJEHIKLWAKY-BFHYXJOUSA-N 2 0 365.503 0.908 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001691283887 1171031345 /nfs/dbraw/zinc/03/13/45/1171031345.db2.gz SHLXSRSRZDLMGG-DLBZAZTESA-N 2 0 360.462 0.752 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001691324877 1171098672 /nfs/dbraw/zinc/09/86/72/1171098672.db2.gz ZDLZFDXPRIIHRS-HRCADAONSA-N 2 0 359.536 0.590 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001691327733 1171108732 /nfs/dbraw/zinc/10/87/32/1171108732.db2.gz COTDDZDSZFKBIB-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1OCC ZINC001691338183 1171145366 /nfs/dbraw/zinc/14/53/66/1171145366.db2.gz YBYJICRKZHCIAB-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938038747 1192457245 /nfs/dbraw/zinc/45/72/45/1192457245.db2.gz BNCVCJJGOFGRNO-HLLBOEOZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000892041988 1171511910 /nfs/dbraw/zinc/51/19/10/1171511910.db2.gz MDNZJKSRDRQYDW-ZFVVBOAOSA-N 2 0 373.457 0.783 20 0 FCADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000892041984 1171512599 /nfs/dbraw/zinc/51/25/99/1171512599.db2.gz MDNZJKSRDRQYDW-SJWGOKEGSA-N 2 0 373.457 0.783 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892163310 1171666886 /nfs/dbraw/zinc/66/68/86/1171666886.db2.gz NAVLVUCPZBBNSM-QZTJIDSGSA-N 2 0 367.538 0.614 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000892263891 1171850424 /nfs/dbraw/zinc/85/04/24/1171850424.db2.gz VUOQKNVGALMICY-UHFFFAOYSA-N 2 0 365.522 0.905 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000972252518 1171886069 /nfs/dbraw/zinc/88/60/69/1171886069.db2.gz GQKNJNIXIHMRNS-FGTMMUONSA-N 2 0 360.502 0.483 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001104421232 1171938492 /nfs/dbraw/zinc/93/84/92/1171938492.db2.gz IRFNKMKFKVSKQT-NVXWUHKLSA-N 2 0 361.490 0.888 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CN(Cc2cncn2C)CCO3)CC[N@@H+]1C ZINC000972389404 1172071702 /nfs/dbraw/zinc/07/17/02/1172071702.db2.gz MPBCSEBGSHGSAO-SZVBFZGTSA-N 2 0 361.490 0.564 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000897669443 1192840572 /nfs/dbraw/zinc/84/05/72/1192840572.db2.gz UQTBWLGQSOYNQG-RDJZCZTQSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000842015409 1192853173 /nfs/dbraw/zinc/85/31/73/1192853173.db2.gz KZPDMNDFNMMKHU-BPQIPLTHSA-N 2 0 358.486 0.930 20 0 FCADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000892369729 1179872041 /nfs/dbraw/zinc/87/20/41/1179872041.db2.gz JHJKEYXDPHMAHU-IRXDYDNUSA-N 2 0 358.490 0.679 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389543 1180210876 /nfs/dbraw/zinc/21/08/76/1180210876.db2.gz NMMBHIBYUVVWKZ-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691481367 1180532282 /nfs/dbraw/zinc/53/22/82/1180532282.db2.gz FMOUQBGLVRNYHB-MSOLQXFVSA-N 2 0 360.502 0.858 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001112518649 1180838674 /nfs/dbraw/zinc/83/86/74/1180838674.db2.gz VERZSMPBGMERQD-FTRWYGJKSA-N 2 0 362.518 0.825 20 0 FCADRP CC(=O)N1C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)Oc2ccccc21 ZINC000728611409 1181301226 /nfs/dbraw/zinc/30/12/26/1181301226.db2.gz DSLNOYFITZKKLX-SFHVURJKSA-N 2 0 362.474 0.752 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)O1 ZINC000892543084 1181843892 /nfs/dbraw/zinc/84/38/92/1181843892.db2.gz CVNKSVZPJCZXGA-GDBMZVCRSA-N 2 0 361.446 0.597 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)[NH+](C)C ZINC001024999612 1181844186 /nfs/dbraw/zinc/84/41/86/1181844186.db2.gz WXEZIIGFXPFPNM-BZUAXINKSA-N 2 0 368.522 0.135 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892577430 1181884614 /nfs/dbraw/zinc/88/46/14/1181884614.db2.gz IELVLHWFWCYQFE-KOMQPUFPSA-N 2 0 367.538 0.849 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892583558 1181892944 /nfs/dbraw/zinc/89/29/44/1181892944.db2.gz BZZRXBFKFWXTQH-GEONZQJFSA-N 2 0 363.462 0.094 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104665169 1182346486 /nfs/dbraw/zinc/34/64/86/1182346486.db2.gz OQOXNORVPDTPMZ-KFWWJZLASA-N 2 0 361.490 0.992 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)[NH+](CC)CC ZINC001104667783 1182352633 /nfs/dbraw/zinc/35/26/33/1182352633.db2.gz ZTHKHZGKARQEDO-BZUAXINKSA-N 2 0 365.526 0.905 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690494 1182371793 /nfs/dbraw/zinc/37/17/93/1182371793.db2.gz GMPCFXHUZPQGJY-OAGGEKHMSA-N 2 0 365.526 0.998 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892935796 1182621862 /nfs/dbraw/zinc/62/18/62/1182621862.db2.gz UELXURUSZMBGQI-KRWDZBQOSA-N 2 0 367.538 0.696 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104846704 1182953591 /nfs/dbraw/zinc/95/35/91/1182953591.db2.gz GAWYPGJSYRSXOC-ZACQAIPSSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104846651 1182953906 /nfs/dbraw/zinc/95/39/06/1182953906.db2.gz FCJXCASYZPUPPL-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237934 1182965889 /nfs/dbraw/zinc/96/58/89/1182965889.db2.gz PSJFVWYWFLTMMN-KZNAEPCWSA-N 2 0 367.538 0.111 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104908112 1182990455 /nfs/dbraw/zinc/99/04/55/1182990455.db2.gz JVHHDFJZXFGKHM-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104938851 1183012298 /nfs/dbraw/zinc/01/22/98/1183012298.db2.gz FLEGDRCYZSRTSI-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000974187626 1183036822 /nfs/dbraw/zinc/03/68/22/1183036822.db2.gz SOXOBMJGXKIVDB-WCXIOVBPSA-N 2 0 362.518 0.966 20 0 FCADRP COCCOC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014261 1183068635 /nfs/dbraw/zinc/06/86/35/1183068635.db2.gz JGXODBDSKLIBNP-KZNAEPCWSA-N 2 0 371.522 0.180 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001105042549 1183089910 /nfs/dbraw/zinc/08/99/10/1183089910.db2.gz WPWASSQIAUTBEQ-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP Cc1nn(C)cc1C[NH2+]C1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001026514685 1183145236 /nfs/dbraw/zinc/14/52/36/1183145236.db2.gz ODTDCNIYAMZAKF-HELAGCTPSA-N 2 0 363.506 0.965 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc(C4CC4)n3C)C2)CC[N@@H+]1C ZINC001026852906 1183415608 /nfs/dbraw/zinc/41/56/08/1183415608.db2.gz SUJJZRGXEBKBGY-IIAWOOMASA-N 2 0 360.506 0.971 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001026855735 1183425316 /nfs/dbraw/zinc/42/53/16/1183425316.db2.gz MMKSYRLBEVIPPI-VNQPRFMTSA-N 2 0 361.494 0.676 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000974692857 1183451026 /nfs/dbraw/zinc/45/10/26/1183451026.db2.gz KMDLCBVKIKKHKX-YSVLISHTSA-N 2 0 359.474 0.662 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975210885 1183773615 /nfs/dbraw/zinc/77/36/15/1183773615.db2.gz QDDULAOGPAZZBQ-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211661700 1183783202 /nfs/dbraw/zinc/78/32/02/1183783202.db2.gz HEXSYFOUJLXYFY-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000976023903 1185875514 /nfs/dbraw/zinc/87/55/14/1185875514.db2.gz LUUJIDOBMIZVOH-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000979800715 1186122830 /nfs/dbraw/zinc/12/28/30/1186122830.db2.gz HQSDSZNWCHNOPK-TWPTVVAISA-N 2 0 362.518 0.679 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000980015598 1186162760 /nfs/dbraw/zinc/16/27/60/1186162760.db2.gz JWRFNPOISPHDIQ-OVYGPGRDSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000981465854 1186419129 /nfs/dbraw/zinc/41/91/29/1186419129.db2.gz YKWSOMZVOJJCDC-YYIAUSFCSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCCN(C)C2=O)C3)CC[N@@H+]1C ZINC000981776822 1186517549 /nfs/dbraw/zinc/51/75/49/1186517549.db2.gz XNUCLKMBYQPLST-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)N1CCCC1 ZINC001028146165 1186553772 /nfs/dbraw/zinc/55/37/72/1186553772.db2.gz XPYCXAPSLMVKRB-BZUAXINKSA-N 2 0 359.474 0.727 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283483 1186697998 /nfs/dbraw/zinc/69/79/98/1186697998.db2.gz UIAKUOKLHJBGFQ-YMBUTIGBSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283480 1186698096 /nfs/dbraw/zinc/69/80/96/1186698096.db2.gz UIAKUOKLHJBGFQ-BIQFIRCYSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@]3(C)C[N@H+](C[C@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306627 1186729369 /nfs/dbraw/zinc/72/93/69/1186729369.db2.gz VRSJPJKMHQNVAR-GNVJSZRZSA-N 2 0 365.518 0.912 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000893742064 1187513827 /nfs/dbraw/zinc/51/38/27/1187513827.db2.gz ZVNGOOQPWPXAST-ROUUACIJSA-N 2 0 368.522 0.510 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732405 1187519127 /nfs/dbraw/zinc/51/91/27/1187519127.db2.gz FTTDKZHUOJRINM-GBESFXJTSA-N 2 0 363.502 0.918 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211732531 1187520463 /nfs/dbraw/zinc/52/04/63/1187520463.db2.gz MOQQEEVVTZTASK-OKZBNKHCSA-N 2 0 358.486 0.799 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001482015658 1187570900 /nfs/dbraw/zinc/57/09/00/1187570900.db2.gz CRHDWVFJXDQBEC-MWQQHZPXSA-N 2 0 350.507 0.870 20 0 FCADRP COc1coc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549360 1187601038 /nfs/dbraw/zinc/60/10/38/1187601038.db2.gz PJWWFLCMMLBDLM-IIAWOOMASA-N 2 0 363.458 0.927 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001270062006 1187986761 /nfs/dbraw/zinc/98/67/61/1187986761.db2.gz URRRCTHBHMLUDW-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C[N@H+](C)C3CCCC3)C[C@@]2(F)C1=O ZINC001270165194 1188036479 /nfs/dbraw/zinc/03/64/79/1188036479.db2.gz GTJNIJDUEOENDY-QZTJIDSGSA-N 2 0 372.460 0.523 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001270236578 1188057579 /nfs/dbraw/zinc/05/75/79/1188057579.db2.gz BXQAXVGHMYVUTF-IBGZPJMESA-N 2 0 366.506 0.110 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CCn2ccnc2)C3=O)C1 ZINC001270332495 1188100352 /nfs/dbraw/zinc/10/03/52/1188100352.db2.gz KIGYLVLBAFLVSN-VQIMIIECSA-N 2 0 359.474 0.818 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001270357577 1188116060 /nfs/dbraw/zinc/11/60/60/1188116060.db2.gz FRUNFKAPHIKNPN-SFHVURJKSA-N 2 0 363.462 0.092 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000550094952 1188223121 /nfs/dbraw/zinc/22/31/21/1188223121.db2.gz LTXSDRRUXZFCGI-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000983713803 1188280281 /nfs/dbraw/zinc/28/02/81/1188280281.db2.gz MOXFGNNDKFCTLR-YHUYYLMFSA-N 2 0 366.485 0.962 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382765335 1188311577 /nfs/dbraw/zinc/31/15/77/1188311577.db2.gz RVHYXPJUQCYWCG-SJORKVTESA-N 2 0 367.515 0.729 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000550413850 1188367127 /nfs/dbraw/zinc/36/71/27/1188367127.db2.gz DQNGVLXCMBLLAO-CRAIPNDOSA-N 2 0 360.502 0.874 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1Cc1cccnc1OC ZINC001087529894 1189385313 /nfs/dbraw/zinc/38/53/13/1189385313.db2.gz YDJAFXJKKRTDDQ-GVDBMIGSSA-N 2 0 362.474 0.890 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CC[NH+]1CCCC1)C2 ZINC001271060992 1189545481 /nfs/dbraw/zinc/54/54/81/1189545481.db2.gz DMXKGCFZKMRPEM-LJQANCHMSA-N 2 0 366.506 0.111 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087699870 1189778417 /nfs/dbraw/zinc/77/84/17/1189778417.db2.gz PLYTVZSASJIUAG-LUKYLMHMSA-N 2 0 365.522 0.711 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963795 1190007992 /nfs/dbraw/zinc/00/79/92/1190007992.db2.gz IDBLFSQQUKEUJU-SOLBZPMBSA-N 2 0 362.518 0.918 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000896748651 1190121387 /nfs/dbraw/zinc/12/13/87/1190121387.db2.gz KPDQJDYWUZNGGC-RCCFBDPRSA-N 2 0 366.506 0.480 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992455 1190143477 /nfs/dbraw/zinc/14/34/77/1190143477.db2.gz WSEGPWVROCXOHG-KURKYZTESA-N 2 0 364.534 0.833 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992641 1190143785 /nfs/dbraw/zinc/14/37/85/1190143785.db2.gz DLOXDHZGZLAZIY-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994769 1190148538 /nfs/dbraw/zinc/14/85/38/1190148538.db2.gz AXCDFALPZDHTLD-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010461 1190209138 /nfs/dbraw/zinc/20/91/38/1190209138.db2.gz VZBKLRZWEBTJKH-IXDOHACOSA-N 2 0 362.518 0.907 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028120 1190268041 /nfs/dbraw/zinc/26/80/41/1190268041.db2.gz WQLKZTORYUOKGY-CVEARBPZSA-N 2 0 355.442 0.816 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088090839 1190541973 /nfs/dbraw/zinc/54/19/73/1190541973.db2.gz IIYVFNIVFLTORC-SJORKVTESA-N 2 0 363.506 0.134 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105725 1190592101 /nfs/dbraw/zinc/59/21/01/1190592101.db2.gz AFPPGJJLVBANIQ-BBWFWOEESA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC1 ZINC001088129548 1190628131 /nfs/dbraw/zinc/62/81/31/1190628131.db2.gz TYJPMCHMVLQIPV-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130468 1190631607 /nfs/dbraw/zinc/63/16/07/1190631607.db2.gz ORLDALRROURVCF-JQHSSLGASA-N 2 0 364.534 0.975 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088150647 1190674396 /nfs/dbraw/zinc/67/43/96/1190674396.db2.gz ONTQQSZGCFPGBZ-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)CC(=O)N2CCC2)CC1 ZINC000985667350 1190760127 /nfs/dbraw/zinc/76/01/27/1190760127.db2.gz QBKOMWBKDWNMFE-HZPDHXFCSA-N 2 0 359.474 0.679 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001075876555 1190795976 /nfs/dbraw/zinc/79/59/76/1190795976.db2.gz RAZSBXUOKYMBOP-OKZBNKHCSA-N 2 0 360.506 0.789 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986127211 1190899515 /nfs/dbraw/zinc/89/95/15/1190899515.db2.gz LRVBBVFYFYITFF-IKGGRYGDSA-N 2 0 359.474 0.450 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1 ZINC000986337233 1190951988 /nfs/dbraw/zinc/95/19/88/1190951988.db2.gz DMTBIEDNIWMPDC-SQNIBIBYSA-N 2 0 362.518 0.587 20 0 FCADRP O=C(CCN1CC[NH2+]CC1)c1ccc2nc(O[C@@H]3C[NH2+]C[C@@H]3F)oc2c1 ZINC001218000366 1224135403 /nfs/dbraw/zinc/13/54/03/1224135403.db2.gz WNXPTJMRONZSIH-SUMWQHHRSA-N 2 0 362.405 0.995 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cncn4C3)[C@H]2C1 ZINC001218195679 1224146611 /nfs/dbraw/zinc/14/66/11/1224146611.db2.gz INQIWLHPURDQCP-RYQLBKOJSA-N 2 0 362.474 0.782 20 0 FCADRP CCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333901 1224154686 /nfs/dbraw/zinc/15/46/86/1224154686.db2.gz YVZNFJCHZJBBOU-KZIZELGASA-N 2 0 363.502 0.951 20 0 FCADRP COc1ccc(-c2ccccn2)nc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218521649 1224167620 /nfs/dbraw/zinc/16/76/20/1224167620.db2.gz ZXJJVRXHYJMGQT-AWEZNQCLSA-N 2 0 370.457 0.841 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550780617 1193787310 /nfs/dbraw/zinc/78/73/10/1193787310.db2.gz IMSXQCPJLSLUFM-IAGOWNOFSA-N 2 0 367.538 0.119 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1)[NH+](C)C ZINC001691601602 1193791203 /nfs/dbraw/zinc/79/12/03/1193791203.db2.gz HSTVXIMKNVJGMJ-BFHYXJOUSA-N 2 0 351.451 0.828 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000551151919 1193835985 /nfs/dbraw/zinc/83/59/85/1193835985.db2.gz LDXHGLMECWJUGL-JKSUJKDBSA-N 2 0 369.554 0.079 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218550606 1224171619 /nfs/dbraw/zinc/17/16/19/1224171619.db2.gz GNTLEQILLBBXLL-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658759 1193861492 /nfs/dbraw/zinc/86/14/92/1193861492.db2.gz JOBWOVDSKCUISD-OHDICMOHSA-N 2 0 368.522 0.040 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)n1 ZINC001083470409 1193867460 /nfs/dbraw/zinc/86/74/60/1193867460.db2.gz QEXWADFGUOWPDV-SJORKVTESA-N 2 0 363.506 0.656 20 0 FCADRP CCOC(=O)c1oc2nccnc2c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218567389 1224173997 /nfs/dbraw/zinc/17/39/97/1224173997.db2.gz FACXMHOXVSWDOI-BMLIUANNSA-N 2 0 359.386 0.537 20 0 FCADRP Cc1conc1CN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757147 1193891580 /nfs/dbraw/zinc/89/15/80/1193891580.db2.gz KWYKTVCPTBQEEL-JTWJYDLWSA-N 2 0 360.458 0.925 20 0 FCADRP Cc1ccccc1OCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473203 1193903142 /nfs/dbraw/zinc/90/31/42/1193903142.db2.gz OFTHRXWHZUZRCN-TVFCKZIOSA-N 2 0 361.486 0.875 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474888 1193906587 /nfs/dbraw/zinc/90/65/87/1193906587.db2.gz FOMOIWKFNYNCPK-MLHJIOFPSA-N 2 0 363.506 0.337 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603188 1224179855 /nfs/dbraw/zinc/17/98/55/1224179855.db2.gz MMKQWQXMHDFXRB-HNNXBMFYSA-N 2 0 356.430 0.538 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000552927765 1193959152 /nfs/dbraw/zinc/95/91/52/1193959152.db2.gz DAXUGDHVFDZUNU-HNNXBMFYSA-N 2 0 366.506 0.370 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105669269 1193967262 /nfs/dbraw/zinc/96/72/62/1193967262.db2.gz QOCKYGFJOGOBLT-RGCFKVTRSA-N 2 0 368.522 0.170 20 0 FCADRP CCOC(=O)c1cnn2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)cc12 ZINC001218614424 1224182041 /nfs/dbraw/zinc/18/20/41/1224182041.db2.gz JJFHKDKFZBVOTB-KZULUSFZSA-N 2 0 357.414 0.649 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000553598211 1194008504 /nfs/dbraw/zinc/00/85/04/1194008504.db2.gz BGYSCHSSLJXZMN-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645095 1224187654 /nfs/dbraw/zinc/18/76/54/1224187654.db2.gz CQEFVBICHUZNJO-OWCLPIDISA-N 2 0 366.506 0.107 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650991 1224191143 /nfs/dbraw/zinc/19/11/43/1224191143.db2.gz RFJYOVJFCKBGLV-OKZBNKHCSA-N 2 0 369.506 0.435 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000842230495 1194108720 /nfs/dbraw/zinc/10/87/20/1194108720.db2.gz JIUJJIVJANLHFW-GOSISDBHSA-N 2 0 358.486 0.891 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000842267277 1194143928 /nfs/dbraw/zinc/14/39/28/1194143928.db2.gz WFNJSWSRPCUFIM-FUHWJXTLSA-N 2 0 360.502 0.876 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696365 1224197969 /nfs/dbraw/zinc/19/79/69/1224197969.db2.gz TZLUADGAUOTGEU-HNNXBMFYSA-N 2 0 362.478 0.238 20 0 FCADRP CC(=O)c1nn(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218708188 1224200426 /nfs/dbraw/zinc/20/04/26/1224200426.db2.gz QHUDKDNUYVBCSJ-JSGCOSHPSA-N 2 0 364.450 0.009 20 0 FCADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710860 1224201609 /nfs/dbraw/zinc/20/16/09/1224201609.db2.gz MYEALQPNJSFMDC-VXGBXAGGSA-N 2 0 357.418 0.580 20 0 FCADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076029407 1194256251 /nfs/dbraw/zinc/25/62/51/1194256251.db2.gz LLJRVPXUWBDEAF-IAOVAPTHSA-N 2 0 366.425 0.302 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728008 1224206399 /nfs/dbraw/zinc/20/63/99/1224206399.db2.gz QRUSRYXVZBMTPO-CFVMTHIKSA-N 2 0 363.462 0.639 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001218727819 1224206441 /nfs/dbraw/zinc/20/64/41/1224206441.db2.gz QNGFXXDYCGUJQG-CVEARBPZSA-N 2 0 369.425 0.430 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001691626839 1194322717 /nfs/dbraw/zinc/32/27/17/1194322717.db2.gz PVRPKLUYPPJQFZ-YQQAZPJKSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001076323688 1194396794 /nfs/dbraw/zinc/39/67/94/1194396794.db2.gz DOJSMUUQOQNXDZ-DLBZAZTESA-N 2 0 363.506 0.276 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001076398753 1194455588 /nfs/dbraw/zinc/45/55/88/1194455588.db2.gz DDCYRAYNAOOBAX-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276795498 1224218375 /nfs/dbraw/zinc/21/83/75/1224218375.db2.gz LGIXMJFMPXOYLE-APWZRJJASA-N 2 0 363.506 0.557 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001691630278 1194584272 /nfs/dbraw/zinc/58/42/72/1194584272.db2.gz LNOHVDHJLFDPTG-ZNMIVQPWSA-N 2 0 352.479 0.350 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001276796119 1224228089 /nfs/dbraw/zinc/22/80/89/1224228089.db2.gz WTVRALCMDWJFRO-ZJIFWQFVSA-N 2 0 366.506 0.079 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)cc2)CC1 ZINC001218845710 1224239586 /nfs/dbraw/zinc/23/95/86/1224239586.db2.gz INGMEVVPXULFRC-WIYYLYMNSA-N 3 0 371.529 0.962 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)cc1 ZINC001218856807 1224240942 /nfs/dbraw/zinc/24/09/42/1224240942.db2.gz SPKBICDSDMYYOH-RYQLBKOJSA-N 2 0 373.501 0.647 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001218881825 1224248355 /nfs/dbraw/zinc/24/83/55/1224248355.db2.gz HLOZNXHBHUQBQH-YSVLISHTSA-N 2 0 358.442 0.295 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001218880827 1224246528 /nfs/dbraw/zinc/24/65/28/1224246528.db2.gz IOYBIDWRPCDTBD-CQSZACIVSA-N 2 0 368.441 0.287 20 0 FCADRP C[NH2+][C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001218882376 1224247190 /nfs/dbraw/zinc/24/71/90/1224247190.db2.gz RDJJUJSGLNDUAM-HNNXBMFYSA-N 2 0 359.474 0.354 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001218881822 1224248156 /nfs/dbraw/zinc/24/81/56/1224248156.db2.gz HLOZNXHBHUQBQH-FRFSOERESA-N 2 0 358.442 0.295 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)C1=O ZINC001276798163 1224249321 /nfs/dbraw/zinc/24/93/21/1224249321.db2.gz BBRJVZPYZTXYHU-KXBFYZLASA-N 2 0 369.506 0.565 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H](O)COC(C)(C)C)C2)C1=O ZINC001276798157 1224249973 /nfs/dbraw/zinc/24/99/73/1224249973.db2.gz BBRJVZPYZTXYHU-DNVCBOLYSA-N 2 0 369.506 0.565 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)cn1 ZINC001218919646 1224259565 /nfs/dbraw/zinc/25/95/65/1224259565.db2.gz XFFYTHQCMWPFHD-ZWKOTPCHSA-N 2 0 363.506 0.699 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002951 1195137854 /nfs/dbraw/zinc/13/78/54/1195137854.db2.gz MZIFCTTWAJPJJI-GUDVDZBRSA-N 2 0 365.518 0.696 20 0 FCADRP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015347 1195144699 /nfs/dbraw/zinc/14/46/99/1195144699.db2.gz PPBHZSMWVOSHRM-MKXGPGLRSA-N 2 0 367.534 0.941 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014167 1195149254 /nfs/dbraw/zinc/14/92/54/1195149254.db2.gz GRWPOYNTESEWPI-KFKAGJAMSA-N 2 0 371.485 0.981 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@H]2O)CC[N@@H+]1C ZINC001077023531 1195159618 /nfs/dbraw/zinc/15/96/18/1195159618.db2.gz FHNKVXOQQFCURK-SJFSSXKUSA-N 2 0 373.497 0.761 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006811 1224287467 /nfs/dbraw/zinc/28/74/67/1224287467.db2.gz ZBNTTZPMGHEZMK-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP Cc1nc(CC2CC[NH+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)no1 ZINC000905029135 1195573750 /nfs/dbraw/zinc/57/37/50/1195573750.db2.gz RXHXHPKUKNJFJN-OAHLLOKOSA-N 2 0 363.462 0.712 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001083593912 1195605563 /nfs/dbraw/zinc/60/55/63/1195605563.db2.gz DKSHIDLTNKPAKI-KURKYZTESA-N 2 0 363.506 0.244 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906644470 1195641497 /nfs/dbraw/zinc/64/14/97/1195641497.db2.gz BHTHRRSEVOZYGX-OAHLLOKOSA-N 2 0 361.490 0.474 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000907077672 1195678646 /nfs/dbraw/zinc/67/86/46/1195678646.db2.gz YGGHWOSBMNFIQB-UHFFFAOYSA-N 2 0 365.566 0.497 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000907736183 1195710099 /nfs/dbraw/zinc/71/00/99/1195710099.db2.gz CFVZSYZJRYDNED-FQEVSTJZSA-N 2 0 374.529 0.887 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219025213 1224299256 /nfs/dbraw/zinc/29/92/56/1224299256.db2.gz ATYBGWLIRBISBW-CQSZACIVSA-N 2 0 369.429 0.045 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1=O ZINC000908240047 1195735305 /nfs/dbraw/zinc/73/53/05/1195735305.db2.gz VXPCLRQZHHNLSL-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633015 1195805843 /nfs/dbraw/zinc/80/58/43/1195805843.db2.gz BTNYDEQFKAWUSI-MSOLQXFVSA-N 2 0 371.441 0.469 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633363 1195806565 /nfs/dbraw/zinc/80/65/65/1195806565.db2.gz UKSHAEMLEYTJHV-QGTPRVQTSA-N 2 0 371.441 0.469 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)(N2CCOCC2)CC1 ZINC000910406481 1195814167 /nfs/dbraw/zinc/81/41/67/1195814167.db2.gz SNBXCNPROAQHMN-QZTJIDSGSA-N 2 0 364.534 0.916 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)(N2CCOCC2)CC1 ZINC000910406482 1195814234 /nfs/dbraw/zinc/81/42/34/1195814234.db2.gz SNBXCNPROAQHMN-ROUUACIJSA-N 2 0 364.534 0.916 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C2)C1 ZINC000910844020 1195849099 /nfs/dbraw/zinc/84/90/99/1195849099.db2.gz VOFVKCCCJPBDTM-FQEVSTJZSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000911127822 1195893550 /nfs/dbraw/zinc/89/35/50/1195893550.db2.gz ZPSYRZDDMUCYCI-AHCXZYCDSA-N 2 0 358.486 0.819 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000911327062 1195934146 /nfs/dbraw/zinc/93/41/46/1195934146.db2.gz ANNKAUOOQFMHNT-KRWDZBQOSA-N 2 0 373.501 0.607 20 0 FCADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1=O ZINC000911634896 1196306177 /nfs/dbraw/zinc/30/61/77/1196306177.db2.gz FMIFXSLXHYNLIF-SFHVURJKSA-N 2 0 358.486 0.918 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654854 1196351271 /nfs/dbraw/zinc/35/12/71/1196351271.db2.gz JMCCFIMTVRTZBB-QGRXYFRJSA-N 2 0 363.502 0.591 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCO[C@H](C)C2)CC1=O ZINC000591644080 1196522121 /nfs/dbraw/zinc/52/21/21/1196522121.db2.gz PRIGNXXPNVZKBR-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000594102372 1196691178 /nfs/dbraw/zinc/69/11/78/1196691178.db2.gz MYGMTYPCAWWQPP-BRWVUGGUSA-N 2 0 367.538 0.993 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945050 1196748504 /nfs/dbraw/zinc/74/85/04/1196748504.db2.gz JETMHOLLYDFPKF-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP N=c1c2cc(N)ccc2on1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219138811 1224364381 /nfs/dbraw/zinc/36/43/81/1224364381.db2.gz YMNUWNGQWHTRJW-KBPBESRZSA-N 2 0 374.445 0.383 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)no1 ZINC001105946051 1196749658 /nfs/dbraw/zinc/74/96/58/1196749658.db2.gz JSNLQJKHZPUWPC-BPLDGKMQSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CCn1cccn1 ZINC001088912899 1196834015 /nfs/dbraw/zinc/83/40/15/1196834015.db2.gz XBXWRUAJVKCZEP-WBVHZDCISA-N 2 0 359.478 0.534 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193592 1224382577 /nfs/dbraw/zinc/38/25/77/1224382577.db2.gz GVJSMPQDWJRLOR-GJZGRUSLSA-N 2 0 371.407 0.596 20 0 FCADRP [NH3+]CCCNCC(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193438 1224383352 /nfs/dbraw/zinc/38/33/52/1224383352.db2.gz CDSSTGFORPOJLE-UHFFFAOYSA-N 2 0 373.423 0.988 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001746921825 1197098319 /nfs/dbraw/zinc/09/83/19/1197098319.db2.gz BTTFKKLYVLVXJG-ARFHVFGLSA-N 2 0 361.490 0.782 20 0 FCADRP O=C(CCc1ncc[nH]1)N1[C@@H]2C[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272541443 1197280745 /nfs/dbraw/zinc/28/07/45/1197280745.db2.gz ZDEHHYKCSOTLGF-OWCLPIDISA-N 2 0 357.458 0.638 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106143173 1197298843 /nfs/dbraw/zinc/29/88/43/1197298843.db2.gz UXKCDBKWSJXYNR-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280125 1224412354 /nfs/dbraw/zinc/41/23/54/1224412354.db2.gz ADAUINZPSICWLS-HNNXBMFYSA-N 2 0 360.437 0.796 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@]3(C)C2)C1 ZINC000992933312 1197611757 /nfs/dbraw/zinc/61/17/57/1197611757.db2.gz BYBDPHVZAWRKSR-HLIPFELVSA-N 2 0 362.518 0.587 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc2n[nH]cc21 ZINC001219338182 1224432709 /nfs/dbraw/zinc/43/27/09/1224432709.db2.gz DWBBSJCFIMHMDA-AWEZNQCLSA-N 2 0 360.418 0.038 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001085260543 1197761671 /nfs/dbraw/zinc/76/16/71/1197761671.db2.gz SFPLQBFDKDXKQA-IAGOWNOFSA-N 2 0 370.457 0.990 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106249573 1197782432 /nfs/dbraw/zinc/78/24/32/1197782432.db2.gz LBVSVQMVZHSQGK-BJZITVGISA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085331829 1197824384 /nfs/dbraw/zinc/82/43/84/1197824384.db2.gz BAPWUBMKLKEDCF-BZUAXINKSA-N 2 0 364.490 0.637 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC1 ZINC001085374574 1197850701 /nfs/dbraw/zinc/85/07/01/1197850701.db2.gz XTQDPBZISFHPSG-IAGOWNOFSA-N 2 0 365.522 0.761 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085393863 1197865916 /nfs/dbraw/zinc/86/59/16/1197865916.db2.gz NBTMOPFDULHFBB-GVDBMIGSSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106621460 1198037775 /nfs/dbraw/zinc/03/77/75/1198037775.db2.gz LZVFBLCPGBRKOR-CRAIPNDOSA-N 2 0 364.534 0.881 20 0 FCADRP COC(=O)[C@@H]1CCc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccc21 ZINC001219425811 1224463212 /nfs/dbraw/zinc/46/32/12/1224463212.db2.gz VUWUVUMJROZORO-IAGOWNOFSA-N 2 0 360.458 0.578 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC001086090478 1198155469 /nfs/dbraw/zinc/15/54/69/1198155469.db2.gz AZKDPSMFKCVULE-DMHIMHRUSA-N 2 0 362.518 0.964 20 0 FCADRP COC(=O)[C@H]1CCc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccc21 ZINC001219425810 1224463850 /nfs/dbraw/zinc/46/38/50/1224463850.db2.gz VUWUVUMJROZORO-DLBZAZTESA-N 2 0 360.458 0.578 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743980428 1198302640 /nfs/dbraw/zinc/30/26/40/1198302640.db2.gz FUXXWUPVJREZHA-MRXNPFEDSA-N 2 0 373.501 0.977 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006309920 1198393606 /nfs/dbraw/zinc/39/36/06/1198393606.db2.gz PRKWMFMUJGPAQI-HZMVEIRTSA-N 2 0 362.518 0.918 20 0 FCADRP COc1cc2c(cc1NC(=O)C1CC3(C[NH2+]C3)C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501263 1224489257 /nfs/dbraw/zinc/48/92/57/1224489257.db2.gz SLEYWRKVAYQQPJ-IBGZPJMESA-N 2 0 356.426 0.817 20 0 FCADRP COc1cc2c(cc1NC(=O)CCCCNC(N)=[NH2+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219503859 1224489993 /nfs/dbraw/zinc/48/99/93/1224489993.db2.gz OFGILETYOYVZRJ-SFHVURJKSA-N 2 0 374.445 0.470 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@@H]1COCC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504982 1224490956 /nfs/dbraw/zinc/49/09/56/1224490956.db2.gz YVJHOQFAVRYTEJ-ADLMAVQZSA-N 2 0 360.414 0.195 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567226 1224513033 /nfs/dbraw/zinc/51/30/33/1224513033.db2.gz BRDDOCJPGUNOML-SFHVURJKSA-N 2 0 364.490 0.470 20 0 FCADRP C[C@H]1CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C[NH2+]1 ZINC001219589532 1224519219 /nfs/dbraw/zinc/51/92/19/1224519219.db2.gz VQGIXTKEKZNHTE-JDFRZJQESA-N 2 0 357.458 0.411 20 0 FCADRP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCCCC1 ZINC000766880144 1199101129 /nfs/dbraw/zinc/10/11/29/1199101129.db2.gz JXMNGBMJKHBQGI-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370393 1199129588 /nfs/dbraw/zinc/12/95/88/1199129588.db2.gz RMNOETVQPPCVHD-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001219648910 1224544769 /nfs/dbraw/zinc/54/47/69/1224544769.db2.gz CDGJYWDMKOLLPY-WNHJNPCNSA-N 2 0 372.513 0.828 20 0 FCADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001219683932 1224560480 /nfs/dbraw/zinc/56/04/80/1224560480.db2.gz HFWZAURNMMCHQN-DDBAPUKQSA-N 2 0 358.486 0.662 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219706060 1224567935 /nfs/dbraw/zinc/56/79/35/1224567935.db2.gz VMSBHCSRFLTLQQ-IBGZPJMESA-N 2 0 366.465 0.635 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H](c1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC001219714187 1224571239 /nfs/dbraw/zinc/57/12/39/1224571239.db2.gz HDCUIOODUBXHRD-KFWWJZLASA-N 2 0 372.391 0.101 20 0 FCADRP [NH3+][C@H](CO)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726445 1224580046 /nfs/dbraw/zinc/58/00/46/1224580046.db2.gz JJSMLNGRQIYMOE-ROUUACIJSA-N 3 0 360.502 0.314 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219729399 1224581051 /nfs/dbraw/zinc/58/10/51/1224581051.db2.gz VNPUUIVUNYYIEH-FHWLQOOXSA-N 3 0 372.513 0.327 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767945904 1200043781 /nfs/dbraw/zinc/04/37/81/1200043781.db2.gz UQROYNSTPZXHSP-ZJPYXAASSA-N 2 0 366.506 0.527 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743968 1224588943 /nfs/dbraw/zinc/58/89/43/1224588943.db2.gz QAXPFKBOZUNFJR-HOTGVXAUSA-N 2 0 367.490 0.664 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129385803 1200107888 /nfs/dbraw/zinc/10/78/88/1200107888.db2.gz SIUWEUQKUPYXJE-CVEARBPZSA-N 2 0 362.478 0.142 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749184 1224591904 /nfs/dbraw/zinc/59/19/04/1224591904.db2.gz JMYPLLJEYQJJOO-OAHLLOKOSA-N 2 0 365.441 0.506 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219749192 1224592915 /nfs/dbraw/zinc/59/29/15/1224592915.db2.gz JSIJQQTVMWBLKX-HZPDHXFCSA-N 2 0 354.458 0.923 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)c2ccco2)CC1 ZINC001219764434 1224601038 /nfs/dbraw/zinc/60/10/38/1224601038.db2.gz FQWDZUIEMDBNBT-HFTRVMKXSA-N 2 0 361.490 0.154 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219765192 1224601118 /nfs/dbraw/zinc/60/11/18/1224601118.db2.gz WVZGZPUVDZPQRR-JTDSTZFVSA-N 2 0 370.497 0.747 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109447404 1200292906 /nfs/dbraw/zinc/29/29/06/1200292906.db2.gz JXBGWQSELSQCPT-UUAJXVIYSA-N 2 0 366.506 0.031 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219765786 1224602605 /nfs/dbraw/zinc/60/26/05/1224602605.db2.gz BJKVVSFDSOQHAD-MJGOQNOKSA-N 2 0 357.502 0.115 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771965 1224606284 /nfs/dbraw/zinc/60/62/84/1224606284.db2.gz UXGITQSUJAOHAD-DEYYWGMASA-N 2 0 372.485 0.328 20 0 FCADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219771402 1224606482 /nfs/dbraw/zinc/60/64/82/1224606482.db2.gz MEEUTIVAJHUPTC-WMLDXEAASA-N 2 0 362.409 0.212 20 0 FCADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)c1cccnc1N1CC[NH2+]CC1 ZINC001219790087 1224613738 /nfs/dbraw/zinc/61/37/38/1224613738.db2.gz FMXZPWCBAGFIJD-INIZCTEOSA-N 2 0 368.485 0.832 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219800578 1224619319 /nfs/dbraw/zinc/61/93/19/1224619319.db2.gz KNDPJMPAMRACIZ-MAUKXSAKSA-N 2 0 371.481 0.954 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219796170 1224616460 /nfs/dbraw/zinc/61/64/60/1224616460.db2.gz OYMJTYXZDQREIH-LPHOPBHVSA-N 3 0 363.550 0.393 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](CCCCO)CC1)c1ccccc1 ZINC000771764317 1200641290 /nfs/dbraw/zinc/64/12/90/1200641290.db2.gz ZBPNRMDFJJIUKU-IBGZPJMESA-N 2 0 362.518 0.796 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001109980115 1200663986 /nfs/dbraw/zinc/66/39/86/1200663986.db2.gz JEVNIZPBUCPPDJ-BDXSIMOUSA-N 2 0 369.506 0.482 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219804214 1224624484 /nfs/dbraw/zinc/62/44/84/1224624484.db2.gz PQINDGYUNDIZOQ-QYZOEREBSA-N 2 0 361.486 0.705 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC ZINC001110019289 1200709158 /nfs/dbraw/zinc/70/91/58/1200709158.db2.gz PQOSLXUXIZGOSI-KBXIAJHMSA-N 2 0 367.494 0.284 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CC[NH+](C)CC1)C2)C(N)=O ZINC001112552834 1200780155 /nfs/dbraw/zinc/78/01/55/1200780155.db2.gz RDKCMYHKHOXNAJ-VCBZYWHSSA-N 2 0 366.506 0.189 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219814399 1224631544 /nfs/dbraw/zinc/63/15/44/1224631544.db2.gz CIOJJQHQDBEPKT-LPWQTFTOSA-N 2 0 356.470 0.065 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112563672 1200793072 /nfs/dbraw/zinc/79/30/72/1200793072.db2.gz HOUYWKCASLGHPD-UWVAXJGDSA-N 2 0 362.518 0.779 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563649 1200793486 /nfs/dbraw/zinc/79/34/86/1200793486.db2.gz GPPYYMDUOVDJRQ-YJBOKZPZSA-N 2 0 364.494 0.112 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112563710 1200794579 /nfs/dbraw/zinc/79/45/79/1200794579.db2.gz KABBFEARZCIOFP-WMZOPIPTSA-N 2 0 364.494 0.075 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818806 1224634705 /nfs/dbraw/zinc/63/47/05/1224634705.db2.gz OBANSAQYZUCSCR-NSHGMRRFSA-N 2 0 366.465 0.892 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787109266 1200863069 /nfs/dbraw/zinc/86/30/69/1200863069.db2.gz RDFKFQBRYRXYJV-KRWDZBQOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000787132462 1200866966 /nfs/dbraw/zinc/86/69/66/1200866966.db2.gz ZGIPXDCTLAVHRW-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000787137317 1200868022 /nfs/dbraw/zinc/86/80/22/1200868022.db2.gz ORSVSKNUOPOZMJ-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219835153 1224645712 /nfs/dbraw/zinc/64/57/12/1224645712.db2.gz YHVAXOZMSIEDNZ-JTDSTZFVSA-N 2 0 362.474 0.109 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219839015 1224646949 /nfs/dbraw/zinc/64/69/49/1224646949.db2.gz XCRSVUZBELVDIK-OMWUSAIZSA-N 2 0 363.433 0.524 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837137 1224647663 /nfs/dbraw/zinc/64/76/63/1224647663.db2.gz HWEVGCLQLMJHMO-HEFCMCLBSA-N 2 0 359.470 0.240 20 0 FCADRP O=C1O[C@]2(CN1CN1CC[C@@H](C[NH+]3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368672 1201074362 /nfs/dbraw/zinc/07/43/62/1201074362.db2.gz OGWZXLAJIFPTGM-LPHOPBHVSA-N 2 0 364.490 0.515 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219849883 1224654367 /nfs/dbraw/zinc/65/43/67/1224654367.db2.gz IVRDJMCUCCYPCZ-JENIJYKNSA-N 2 0 369.469 0.598 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)O1 ZINC001170280214 1201206390 /nfs/dbraw/zinc/20/63/90/1201206390.db2.gz VRJAIRFMOSNWHZ-SCFUHWHPSA-N 2 0 360.462 0.943 20 0 FCADRP Cn1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170392214 1201208711 /nfs/dbraw/zinc/20/87/11/1201208711.db2.gz FERLPZNNYFEWLW-WLRQEKSISA-N 2 0 369.510 0.694 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865614 1224660709 /nfs/dbraw/zinc/66/07/09/1224660709.db2.gz RTABNXABLOZRBZ-XLAORIBOSA-N 2 0 374.485 0.208 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129411657 1201298045 /nfs/dbraw/zinc/29/80/45/1201298045.db2.gz AYAHPLGFVUTNEO-BMFZPTHFSA-N 2 0 361.450 0.021 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453605 1201311872 /nfs/dbraw/zinc/31/18/72/1201311872.db2.gz DWMAFGZTNKUJSL-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485115 1201331790 /nfs/dbraw/zinc/33/17/90/1201331790.db2.gz WBRCICPZQQFWNR-ZACQAIPSSA-N 2 0 364.494 0.267 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129899650 1201432096 /nfs/dbraw/zinc/43/20/96/1201432096.db2.gz DROQGPIILCPBRN-IKGGRYGDSA-N 2 0 366.510 0.632 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129970246 1201457238 /nfs/dbraw/zinc/45/72/38/1201457238.db2.gz FITWADUJYGJZGI-XHSDSOJGSA-N 2 0 364.494 0.529 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011971 1201471173 /nfs/dbraw/zinc/47/11/73/1201471173.db2.gz HEDSOAUEMLDENI-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012081 1201471232 /nfs/dbraw/zinc/47/12/32/1201471232.db2.gz NPSAIZDJXRAMNX-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009646 1201477408 /nfs/dbraw/zinc/47/74/08/1201477408.db2.gz ZFYCZICXPZGBAJ-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130047443 1201486359 /nfs/dbraw/zinc/48/63/59/1201486359.db2.gz BERDOODHBZTFON-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130081653 1201492932 /nfs/dbraw/zinc/49/29/32/1201492932.db2.gz ZOVDLQVHRXITEV-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137387 1201514921 /nfs/dbraw/zinc/51/49/21/1201514921.db2.gz WXXSWTSHLQKWLI-MSOLQXFVSA-N 2 0 371.489 0.863 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130215958 1201546825 /nfs/dbraw/zinc/54/68/25/1201546825.db2.gz JSONXIGQCIIOLS-KKUMJFAQSA-N 2 0 364.494 0.777 20 0 FCADRP CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234696 1201558417 /nfs/dbraw/zinc/55/84/17/1201558417.db2.gz IIHSKHZFXOXTLY-GJZGRUSLSA-N 2 0 364.494 0.801 20 0 FCADRP C[NH+](C)CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130247114 1201567242 /nfs/dbraw/zinc/56/72/42/1201567242.db2.gz VOMANNUMDZROLD-KBPBESRZSA-N 2 0 370.473 0.584 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940911 1224692794 /nfs/dbraw/zinc/69/27/94/1224692794.db2.gz IDBRGILUCGKQKH-UYAOXDASSA-N 3 0 373.545 0.765 20 0 FCADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999270 1224722723 /nfs/dbraw/zinc/72/27/23/1224722723.db2.gz OLUCFBRJPLBNJO-RBUKOAKNSA-N 2 0 359.518 0.690 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccc3ccccc3n2)CC[NH2+]CC1 ZINC001220001516 1224723337 /nfs/dbraw/zinc/72/33/37/1224723337.db2.gz ROXDTWXPSCCNHC-HNNXBMFYSA-N 2 0 356.426 0.516 20 0 FCADRP COC(=O)C1(NC(=O)C[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)CC[NH2+]CC1 ZINC001219999537 1224722920 /nfs/dbraw/zinc/72/29/20/1224722920.db2.gz WRXQORJTXRSNMS-QGZVFWFLSA-N 2 0 374.485 0.262 20 0 FCADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001220044962 1224735786 /nfs/dbraw/zinc/73/57/86/1224735786.db2.gz GGTJFJVCQAUIDP-HNNXBMFYSA-N 2 0 368.393 0.839 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061434 1224740980 /nfs/dbraw/zinc/74/09/80/1224740980.db2.gz OCMJLODOWHQNIQ-MOPGFXCFSA-N 2 0 363.502 0.992 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659440 1202750044 /nfs/dbraw/zinc/75/00/44/1202750044.db2.gz MVYXPMALRYTHHF-QILLFSRXSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]C[C@@H]2CCCCO2)c1 ZINC001130670290 1202751649 /nfs/dbraw/zinc/75/16/49/1202751649.db2.gz VRUZIPVBCAXGHG-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130695419 1202757271 /nfs/dbraw/zinc/75/72/71/1202757271.db2.gz RBNZZUVJOAKWRK-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130729117 1202764063 /nfs/dbraw/zinc/76/40/63/1202764063.db2.gz VSRLOADCGVXHEG-FUHWJXTLSA-N 2 0 363.506 0.827 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130734432 1202768683 /nfs/dbraw/zinc/76/86/83/1202768683.db2.gz PGHDXEGGGHIEEP-JQHSSLGASA-N 2 0 363.506 0.825 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130736352 1202768958 /nfs/dbraw/zinc/76/89/58/1202768958.db2.gz CJMIAXKATSTESD-SOLBZPMBSA-N 2 0 365.522 0.805 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2[NH2+]CCCO)c1 ZINC001130731486 1202772390 /nfs/dbraw/zinc/77/23/90/1202772390.db2.gz GPRQBRDSYSIJFL-FUHWJXTLSA-N 2 0 363.506 0.563 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC[NH+](C)CC3)n2)O1 ZINC001130802122 1202803468 /nfs/dbraw/zinc/80/34/68/1202803468.db2.gz CUDKLUUEILZSTO-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1 ZINC001130815890 1202806814 /nfs/dbraw/zinc/80/68/14/1202806814.db2.gz FHVNCXKONVVJJW-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130815842 1202806889 /nfs/dbraw/zinc/80/68/89/1202806889.db2.gz CFXVCGDVSCXBLS-MELADBBJSA-N 2 0 368.457 0.542 20 0 FCADRP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817581 1202808441 /nfs/dbraw/zinc/80/84/41/1202808441.db2.gz UJCLCRQNLZWMOS-SOUVJXGZSA-N 2 0 364.494 0.838 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130944105 1202827156 /nfs/dbraw/zinc/82/71/56/1202827156.db2.gz VHABMSZJEQSPFS-ZACQAIPSSA-N 2 0 363.506 0.823 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994292 1202838581 /nfs/dbraw/zinc/83/85/81/1202838581.db2.gz RLZDRHOFNQNIDV-QBPKDAKJSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994188 1202838625 /nfs/dbraw/zinc/83/86/25/1202838625.db2.gz LULVFCFAIOFSRM-QBPKDAKJSA-N 2 0 363.506 0.681 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017940 1202843698 /nfs/dbraw/zinc/84/36/98/1202843698.db2.gz UCJHGRVKKRWZHG-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010520 1202844040 /nfs/dbraw/zinc/84/40/40/1202844040.db2.gz OXEWLEVEJJFTMX-IAGOWNOFSA-N 2 0 363.506 0.825 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010113 1202844126 /nfs/dbraw/zinc/84/41/26/1202844126.db2.gz ARMZXIYGCRYZRO-ARFHVFGLSA-N 2 0 363.506 0.823 20 0 FCADRP CC(C)(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2 ZINC001111501679 1202849140 /nfs/dbraw/zinc/84/91/40/1202849140.db2.gz ULBIAIGFPYFQLU-KFWWJZLASA-N 2 0 362.478 0.702 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)cn1 ZINC001131061779 1202854159 /nfs/dbraw/zinc/85/41/59/1202854159.db2.gz KUSYDZHBZPOXMK-IAGOWNOFSA-N 2 0 371.489 0.554 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131101171 1202863287 /nfs/dbraw/zinc/86/32/87/1202863287.db2.gz QXXZYLPZNQWCKV-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131115723 1202865017 /nfs/dbraw/zinc/86/50/17/1202865017.db2.gz WYYLDXJZFKMWOP-BRWVUGGUSA-N 2 0 365.522 0.807 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086659271 1202871989 /nfs/dbraw/zinc/87/19/89/1202871989.db2.gz QGHAAYWQYIXUCK-ZNMIVQPWSA-N 2 0 362.478 0.277 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131316718 1202885980 /nfs/dbraw/zinc/88/59/80/1202885980.db2.gz SWSPDSXVAQJRSU-BBWFWOEESA-N 2 0 364.490 0.844 20 0 FCADRP Cc1nnc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001131564582 1202914762 /nfs/dbraw/zinc/91/47/62/1202914762.db2.gz QIKVMONVKWUXPJ-QAPCUYQASA-N 2 0 364.494 0.551 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)N(C)C ZINC001131564166 1202914996 /nfs/dbraw/zinc/91/49/96/1202914996.db2.gz DYTXOZHLFRZTHJ-LESCRADOSA-N 2 0 368.522 0.401 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131588158 1202916904 /nfs/dbraw/zinc/91/69/04/1202916904.db2.gz UPZSMEJCQDLCEC-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604717 1202918589 /nfs/dbraw/zinc/91/85/89/1202918589.db2.gz DDOWWXOIEIKSND-APWZRJJASA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131596931 1202919192 /nfs/dbraw/zinc/91/91/92/1202919192.db2.gz BKOGNWANHARWFX-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131597210 1202919505 /nfs/dbraw/zinc/91/95/05/1202919505.db2.gz QSGKMTIRGNBYPN-KYJSFNMBSA-N 2 0 368.522 0.448 20 0 FCADRP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001131599678 1202919775 /nfs/dbraw/zinc/91/97/75/1202919775.db2.gz GNUXILCCQBEJRW-HBFSDRIKSA-N 2 0 365.518 0.840 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086697040 1202970526 /nfs/dbraw/zinc/97/05/26/1202970526.db2.gz LJBNMHPZCSEVNS-UAGQMJEPSA-N 2 0 363.506 0.228 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327211 1202993255 /nfs/dbraw/zinc/99/32/55/1202993255.db2.gz YZQHLEKYIUILJN-TZMCWYRMSA-N 2 0 373.457 0.454 20 0 FCADRP CCc1nnc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)o1 ZINC001086732078 1203056737 /nfs/dbraw/zinc/05/67/37/1203056737.db2.gz UDWDCDQUKSKHLC-LXTVHRRPSA-N 2 0 365.478 0.726 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086740208 1203066756 /nfs/dbraw/zinc/06/67/56/1203066756.db2.gz NINNJSLKSQVZCA-ARFHVFGLSA-N 2 0 363.510 0.705 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086746514 1203070427 /nfs/dbraw/zinc/07/04/27/1203070427.db2.gz BDGQILDNFRJASO-GXTWGEPZSA-N 2 0 354.418 0.546 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001086758920 1203082288 /nfs/dbraw/zinc/08/22/88/1203082288.db2.gz DXGBDHLODWIFOK-GOEBONIOSA-N 2 0 370.457 0.848 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863967 1203102878 /nfs/dbraw/zinc/10/28/78/1203102878.db2.gz YXOLUCJMIKFPQC-RRFJBIMHSA-N 2 0 369.510 0.437 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000817926554 1203126606 /nfs/dbraw/zinc/12/66/06/1203126606.db2.gz MXXWPBWAHPOBIA-WMZOPIPTSA-N 2 0 360.502 0.815 20 0 FCADRP CON(C)C(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819040888 1203148454 /nfs/dbraw/zinc/14/84/54/1203148454.db2.gz PDVHPEDWDWJCSQ-KRWDZBQOSA-N 2 0 362.474 0.883 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1c(C)cc(C)nc1=O ZINC001136541940 1203223703 /nfs/dbraw/zinc/22/37/03/1203223703.db2.gz SEBWDICKVFXDJQ-QGZVFWFLSA-N 2 0 363.506 0.735 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143682247 1203325340 /nfs/dbraw/zinc/32/53/40/1203325340.db2.gz VGLPCAPDDMKGPT-IAGOWNOFSA-N 2 0 361.490 0.686 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885618 1203331897 /nfs/dbraw/zinc/33/18/97/1203331897.db2.gz YTCIBYSWKJSTPT-HYVNUMGLSA-N 2 0 360.458 0.016 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158872 1224791889 /nfs/dbraw/zinc/79/18/89/1224791889.db2.gz JGMZYSGCUSDIKK-VCBZYWHSSA-N 2 0 374.489 0.352 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+]C[C@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001220228645 1224810280 /nfs/dbraw/zinc/81/02/80/1224810280.db2.gz SCKYCYNNDZOKFB-FCEWJHQRSA-N 2 0 363.433 0.868 20 0 FCADRP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220236985 1224812614 /nfs/dbraw/zinc/81/26/14/1224812614.db2.gz MKBTZQIFYMRHJJ-QYZOEREBSA-N 2 0 363.502 0.786 20 0 FCADRP C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220242839 1224813684 /nfs/dbraw/zinc/81/36/84/1224813684.db2.gz IUMVEXKWKANIEG-PMPSAXMXSA-N 2 0 370.538 0.880 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@@H]1O ZINC001220273085 1224818068 /nfs/dbraw/zinc/81/80/68/1224818068.db2.gz BEQCDCQEPYURJI-MOPGFXCFSA-N 2 0 363.502 0.749 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220275211 1224819492 /nfs/dbraw/zinc/81/94/92/1224819492.db2.gz RYYWSVZXYLKZCN-CVEARBPZSA-N 2 0 363.458 0.113 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)CC1 ZINC001220306557 1224824498 /nfs/dbraw/zinc/82/44/98/1224824498.db2.gz NAOILLJXUJAWGG-GOSISDBHSA-N 2 0 355.486 0.858 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316271 1224826848 /nfs/dbraw/zinc/82/68/48/1224826848.db2.gz NRICIRYDGGWBGX-WRWLIDTKSA-N 2 0 370.453 0.577 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)CN(C)C(N)=[NH2+])nc3ccc(C)cc3n12 ZINC001144143465 1204424643 /nfs/dbraw/zinc/42/46/43/1204424643.db2.gz PTGMPJWLIXIYBZ-UHFFFAOYSA-N 2 0 368.445 0.616 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001091039250 1204453823 /nfs/dbraw/zinc/45/38/23/1204453823.db2.gz VCLFIAPRVZFTAL-SSHXOBKSSA-N 2 0 363.510 0.969 20 0 FCADRP CCCn1nnnc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001091039020 1204453982 /nfs/dbraw/zinc/45/39/82/1204453982.db2.gz JXUNNHKUUGAKQI-SSHXOBKSSA-N 2 0 363.510 0.798 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH+](C)CC1 ZINC001220345411 1224836710 /nfs/dbraw/zinc/83/67/10/1224836710.db2.gz IIVDUYITWWUVLY-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353877 1224839864 /nfs/dbraw/zinc/83/98/64/1224839864.db2.gz LNRHWEOPPIEEPJ-LTIDMASMSA-N 2 0 361.442 0.285 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC001220352421 1224840296 /nfs/dbraw/zinc/84/02/96/1224840296.db2.gz BAIIAOLXRQABEQ-IXDOHACOSA-N 2 0 361.442 0.550 20 0 FCADRP O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[NH2+]CCN1 ZINC001220356844 1224841353 /nfs/dbraw/zinc/84/13/53/1224841353.db2.gz FMRDAMPTYXDBDY-YESZJQIVSA-N 2 0 360.458 0.123 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091543945 1204707957 /nfs/dbraw/zinc/70/79/57/1204707957.db2.gz RGRYKCYOPPFZSF-LMMKCTJWSA-N 2 0 360.506 0.769 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388066 1224854126 /nfs/dbraw/zinc/85/41/26/1224854126.db2.gz ZCHUVMTVNWZRJY-NXHRZFHOSA-N 2 0 369.506 0.218 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742961 1204840100 /nfs/dbraw/zinc/84/01/00/1204840100.db2.gz GYRDCFISAXHZRQ-SYNHAJSKSA-N 2 0 362.518 0.872 20 0 FCADRP Cn1cnnc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754176 1204844034 /nfs/dbraw/zinc/84/40/34/1204844034.db2.gz HMJAATYXUCZJGS-GJYPPUQNSA-N 2 0 360.506 0.970 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091754534 1204844384 /nfs/dbraw/zinc/84/43/84/1204844384.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 0 355.446 0.585 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452784 1204850192 /nfs/dbraw/zinc/85/01/92/1204850192.db2.gz BHFZAXFOSPAJAK-WBVHZDCISA-N 2 0 362.518 0.777 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086855237 1204850331 /nfs/dbraw/zinc/85/03/31/1204850331.db2.gz OBMWHMALQMVCEV-QWHCGFSZSA-N 2 0 358.450 0.359 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001086855293 1204850609 /nfs/dbraw/zinc/85/06/09/1204850609.db2.gz RBRXACLKMOFYDM-UONOGXRCSA-N 2 0 357.462 0.964 20 0 FCADRP CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086853647 1204852349 /nfs/dbraw/zinc/85/23/49/1204852349.db2.gz LGPXSPQADYXSDP-LSDHHAIUSA-N 2 0 361.494 0.724 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]C[C@H]2CCOC2)cn1 ZINC001087009471 1204897095 /nfs/dbraw/zinc/89/70/95/1204897095.db2.gz HTOKJSJSYNSOPM-BPQIPLTHSA-N 2 0 361.490 0.436 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087034978 1204909485 /nfs/dbraw/zinc/90/94/85/1204909485.db2.gz GLEGVPDURKYHLE-DJIMGWMZSA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083726 1204970946 /nfs/dbraw/zinc/97/09/46/1204970946.db2.gz QDRJDRDTILOTNQ-GVDBMIGSSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087084909 1204973685 /nfs/dbraw/zinc/97/36/85/1204973685.db2.gz ZGOHYXIXTGKZIC-OWCLPIDISA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087080959 1204993130 /nfs/dbraw/zinc/99/31/30/1204993130.db2.gz OCHFCRYDSLMAMZ-DJIMGWMZSA-N 2 0 367.494 0.917 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087100829 1204997830 /nfs/dbraw/zinc/99/78/30/1204997830.db2.gz GSXDUVHSPGRMFL-GVDBMIGSSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087100978 1204997904 /nfs/dbraw/zinc/99/79/04/1204997904.db2.gz NQZNALRIUOZXDB-HZPDHXFCSA-N 2 0 364.494 0.347 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087102755 1205000529 /nfs/dbraw/zinc/00/05/29/1205000529.db2.gz UXTGSQZODGQGGJ-NVXWUHKLSA-N 2 0 365.478 0.899 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087096275 1205003796 /nfs/dbraw/zinc/00/37/96/1205003796.db2.gz GEBACIAIEBSIPF-KBAYOESNSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087096558 1205004752 /nfs/dbraw/zinc/00/47/52/1205004752.db2.gz RQWJOFJQBNHKAD-ZMSDIMECSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087097171 1205005251 /nfs/dbraw/zinc/00/52/51/1205005251.db2.gz ZUBVTWKYJRWZOQ-GDBMZVCRSA-N 2 0 363.462 0.427 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091845287 1205035938 /nfs/dbraw/zinc/03/59/38/1205035938.db2.gz RSBYMZCPMCIWQX-LPMFXHHGSA-N 2 0 368.441 0.535 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)C1=O ZINC001091818676 1205041439 /nfs/dbraw/zinc/04/14/39/1205041439.db2.gz JVIKGALPGAMOQP-GJYPPUQNSA-N 2 0 360.502 0.626 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@]3(C)C2)C1=O ZINC001091823431 1205043451 /nfs/dbraw/zinc/04/34/51/1205043451.db2.gz CIHACGUEEOFTDZ-SYNHAJSKSA-N 2 0 367.453 0.959 20 0 FCADRP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091882756 1205048141 /nfs/dbraw/zinc/04/81/41/1205048141.db2.gz JJLKGDGNLNSHPJ-UZLBHIALSA-N 2 0 358.486 0.670 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960233 1205093506 /nfs/dbraw/zinc/09/35/06/1205093506.db2.gz RQKICQPNFIZRLC-BEFAXECRSA-N 2 0 362.474 0.823 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1)C1CC1 ZINC001091974696 1205105474 /nfs/dbraw/zinc/10/54/74/1205105474.db2.gz PPPIQKJJVVSQSM-UZLBHIALSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001092071570 1205134805 /nfs/dbraw/zinc/13/48/05/1205134805.db2.gz BHUCXBAWUICJDO-HLIPFELVSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1)C1CC1 ZINC001092203832 1205197422 /nfs/dbraw/zinc/19/74/22/1205197422.db2.gz ZOCHWCQDBVVHBQ-BEFAXECRSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272592 1205219464 /nfs/dbraw/zinc/21/94/64/1205219464.db2.gz GUHMADBDESEGJK-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611070 1205319556 /nfs/dbraw/zinc/31/95/56/1205319556.db2.gz HEQIUHZNHZYCJA-SUMDDJOVSA-N 2 0 359.518 0.989 20 0 FCADRP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])OC(C)(C)O1 ZINC001220466278 1224881707 /nfs/dbraw/zinc/88/17/07/1224881707.db2.gz ABTYATBUWQGGLV-HZSPNIEDSA-N 2 0 373.494 0.811 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773703 1205353779 /nfs/dbraw/zinc/35/37/79/1205353779.db2.gz QUFGTRBWXTWEAP-BZUAXINKSA-N 2 0 362.518 0.966 20 0 FCADRP [NH3+][C@H](CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O)c1ccccc1 ZINC001220504069 1224894770 /nfs/dbraw/zinc/89/47/70/1224894770.db2.gz QXMFAPMVKSOGGR-KZNAEPCWSA-N 2 0 350.422 0.915 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC001220515626 1224899316 /nfs/dbraw/zinc/89/93/16/1224899316.db2.gz HXGGHRDFJDCZLL-XZJFIMKMSA-N 2 0 360.458 0.432 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@]3(N)CC[NH2+]C3)cc2)CC1 ZINC001220516202 1224899920 /nfs/dbraw/zinc/89/99/20/1224899920.db2.gz RUGYMWGCLXZHCU-JXGBTDEFSA-N 2 0 359.474 0.400 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220517673 1224900249 /nfs/dbraw/zinc/90/02/49/1224900249.db2.gz VMZKXVNWWIHUAT-GOSISDBHSA-N 2 0 358.490 0.121 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001220519544 1224901558 /nfs/dbraw/zinc/90/15/58/1224901558.db2.gz RRFHGQCDQXGSQJ-KRWDZBQOSA-N 2 0 363.458 0.445 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911525 1205940344 /nfs/dbraw/zinc/94/03/44/1205940344.db2.gz SQSYEKNKXRLXFT-BRWVUGGUSA-N 2 0 364.494 0.071 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092912578 1205942046 /nfs/dbraw/zinc/94/20/46/1205942046.db2.gz QXMMZKGYLYBLDS-LTIDMASMSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092919248 1205944857 /nfs/dbraw/zinc/94/48/57/1205944857.db2.gz HPLNMEHZEOTKAH-FVQBIDKESA-N 2 0 362.474 0.870 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968155 1205967850 /nfs/dbraw/zinc/96/78/50/1205967850.db2.gz NRRKUPKJOQMXFI-RVKKMQEKSA-N 2 0 360.502 0.962 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093281096 1206071652 /nfs/dbraw/zinc/07/16/52/1206071652.db2.gz QIULFUSBGIIEHG-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093285706 1206072861 /nfs/dbraw/zinc/07/28/61/1206072861.db2.gz SXRBMMATYLNGCL-IIAWOOMASA-N 2 0 362.474 0.918 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093821187 1206123618 /nfs/dbraw/zinc/12/36/18/1206123618.db2.gz ULDSERYANPPFSM-OWCLPIDISA-N 2 0 363.510 0.372 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1)[NH+](C)C ZINC001093839316 1206129060 /nfs/dbraw/zinc/12/90/60/1206129060.db2.gz JWLOLQORLBCOCP-FMKPAKJESA-N 2 0 366.510 0.906 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001093859077 1206136424 /nfs/dbraw/zinc/13/64/24/1206136424.db2.gz NWJRQRVGNJLTKW-RBSFLKMASA-N 2 0 365.526 0.952 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)C1=O ZINC001093890536 1206145524 /nfs/dbraw/zinc/14/55/24/1206145524.db2.gz PTEKOMSPHXGERZ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093921194 1206149801 /nfs/dbraw/zinc/14/98/01/1206149801.db2.gz NBCFYSPDWVFALA-UNEWFSDZSA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)c1nnnn1C ZINC001093960809 1206158997 /nfs/dbraw/zinc/15/89/97/1206158997.db2.gz MFOJYMULWQBYNF-RBSFLKMASA-N 2 0 363.510 0.830 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001094042254 1206174579 /nfs/dbraw/zinc/17/45/79/1206174579.db2.gz PLQBWSOAUCESJO-RRFJBIMHSA-N 2 0 365.478 0.742 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094137811 1206191309 /nfs/dbraw/zinc/19/13/09/1206191309.db2.gz XTZJSXSLGZSARQ-HUUCEWRRSA-N 2 0 364.494 0.110 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094166016 1206197701 /nfs/dbraw/zinc/19/77/01/1206197701.db2.gz IBEJUGUSUIFDDV-BZUAXINKSA-N 2 0 363.510 0.609 20 0 FCADRP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c(C)n1 ZINC001094218969 1206202677 /nfs/dbraw/zinc/20/26/77/1206202677.db2.gz BCEXLCHOCMMXBB-FRFSOERESA-N 2 0 361.490 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094219026 1206202743 /nfs/dbraw/zinc/20/27/43/1206202743.db2.gz BMPGXJVXUYPJKB-FVQBIDKESA-N 2 0 360.506 0.828 20 0 FCADRP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001094224503 1206207091 /nfs/dbraw/zinc/20/70/91/1206207091.db2.gz OIUOROKGAIJGGT-IJEWVQPXSA-N 2 0 364.494 0.266 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094240964 1206209811 /nfs/dbraw/zinc/20/98/11/1206209811.db2.gz ILJZRGMNRXRWLP-OAGGEKHMSA-N 2 0 364.490 0.352 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](C)C1 ZINC001094224748 1206211627 /nfs/dbraw/zinc/21/16/27/1206211627.db2.gz ZTCULUDZISFDNO-IXDOHACOSA-N 2 0 361.490 0.629 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)CC1 ZINC001094503631 1206234432 /nfs/dbraw/zinc/23/44/32/1206234432.db2.gz LPPIGDJFDCJWDL-YLJYHZDGSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532279 1206236704 /nfs/dbraw/zinc/23/67/04/1206236704.db2.gz JYLMALUJAANBEK-KVSKMBFKSA-N 2 0 363.506 0.800 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001110159591 1206241524 /nfs/dbraw/zinc/24/15/24/1206241524.db2.gz RWWLYLJIYVJITP-NCOADZHNSA-N 2 0 366.506 0.031 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(C3=NO[C@@H]4C[NH2+]C[C@H]34)n2)CC1 ZINC001212630094 1206251983 /nfs/dbraw/zinc/25/19/83/1206251983.db2.gz RZHVJZOFRBCIHH-DZGCQCFKSA-N 2 0 354.414 0.811 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@@H]45)n3)c2)CC1 ZINC001212628570 1206252672 /nfs/dbraw/zinc/25/26/72/1206252672.db2.gz CZTDGNAWKFRASH-CVEARBPZSA-N 2 0 368.441 0.806 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@H]45)n3)cc2)CC1 ZINC001212629055 1206252937 /nfs/dbraw/zinc/25/29/37/1206252937.db2.gz HVCCXSYOPSIOES-LSDHHAIUSA-N 2 0 354.414 0.811 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169136 1206258416 /nfs/dbraw/zinc/25/84/16/1206258416.db2.gz DLSTWLXFEKGDEO-ROUUACIJSA-N 2 0 372.513 0.964 20 0 FCADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CC1 ZINC001172245345 1206260434 /nfs/dbraw/zinc/26/04/34/1206260434.db2.gz RRQVKENFGIMVJV-VSZNYVQBSA-N 2 0 372.506 0.747 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCN(C)CC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173526785 1206280007 /nfs/dbraw/zinc/28/00/07/1206280007.db2.gz XXEYICBQLGMYOB-KSSFIOAISA-N 2 0 372.510 0.798 20 0 FCADRP c1cn(Cc2nnn3c2C[N@@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CCC3)cn1 ZINC001173752213 1206287497 /nfs/dbraw/zinc/28/74/97/1206287497.db2.gz KQCTZYQFZWVJHU-GJZGRUSLSA-N 2 0 368.449 0.899 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH+]2CC[C@@H]2C1 ZINC001180406384 1206395238 /nfs/dbraw/zinc/39/52/38/1206395238.db2.gz IOGCJMHUFWJJIM-FGTMMUONSA-N 2 0 357.454 0.824 20 0 FCADRP COc1cc(C)nc(N(C(=O)C2(O)CC[NH+](C)CC2)C2CC[NH2+]CC2)n1 ZINC001182032928 1206419019 /nfs/dbraw/zinc/41/90/19/1206419019.db2.gz JQXGQNYUWNTFBD-UHFFFAOYSA-N 2 0 363.462 0.335 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001182032261 1206419247 /nfs/dbraw/zinc/41/92/47/1206419247.db2.gz SYMYQYKZRCBLRF-ROUUACIJSA-N 2 0 374.485 0.340 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)CC[N@@H+]1C ZINC001182676635 1206441036 /nfs/dbraw/zinc/44/10/36/1206441036.db2.gz OZRDQGRNFRWBGC-DJIMGWMZSA-N 2 0 359.474 0.229 20 0 FCADRP CC(C)[C@H](C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)[NH+](C)C ZINC001183360808 1206452306 /nfs/dbraw/zinc/45/23/06/1206452306.db2.gz RTLMGAIGUJZURN-GOSISDBHSA-N 2 0 362.522 0.559 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001184056260 1206464158 /nfs/dbraw/zinc/46/41/58/1206464158.db2.gz ATLGKARBYDHPQG-UHFFFAOYSA-N 2 0 365.478 0.583 20 0 FCADRP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001185225182 1206475978 /nfs/dbraw/zinc/47/59/78/1206475978.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 0 373.497 0.801 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405743 1207454693 /nfs/dbraw/zinc/45/46/93/1207454693.db2.gz PLBVUHYQQWQNHD-YXJHDRRASA-N 2 0 358.442 0.796 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610023 1207466842 /nfs/dbraw/zinc/46/68/42/1207466842.db2.gz JVPZIKAJDVOXLH-KZIZELGASA-N 2 0 363.502 0.807 20 0 FCADRP COCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609498 1207466865 /nfs/dbraw/zinc/46/68/65/1207466865.db2.gz FCASNYPNIQYFLC-VVJOJPPRSA-N 2 0 363.502 0.809 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001188931584 1207489087 /nfs/dbraw/zinc/48/90/87/1207489087.db2.gz FXPKLNCERYFESS-LEUOFYLZSA-N 2 0 362.518 0.776 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189424978 1207547581 /nfs/dbraw/zinc/54/75/81/1207547581.db2.gz HACPIKJSEOXQMC-GBESFXJTSA-N 2 0 361.486 0.902 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189477141 1207553033 /nfs/dbraw/zinc/55/30/33/1207553033.db2.gz DUQDCULGLMHSEL-IXDOHACOSA-N 2 0 366.506 0.108 20 0 FCADRP CCC[C@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801790 1207609685 /nfs/dbraw/zinc/60/96/85/1207609685.db2.gz MZEPGDXZWHJZHG-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189912803 1207620103 /nfs/dbraw/zinc/62/01/03/1207620103.db2.gz FSVYARIUPGSQIE-JKSUJKDBSA-N 2 0 364.490 0.400 20 0 FCADRP CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190169220 1207655947 /nfs/dbraw/zinc/65/59/47/1207655947.db2.gz WUIGUJUIIFMDPZ-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220683577 1225012055 /nfs/dbraw/zinc/01/20/55/1225012055.db2.gz OTRKGUJZRGMIQZ-WMRISBIYSA-N 2 0 354.454 0.888 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774011 1207887834 /nfs/dbraw/zinc/88/78/34/1207887834.db2.gz FTXFWXJBACDABG-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C(=O)NC)cc2)C[C@H]1O)[NH+](C)C ZINC001194086836 1207918020 /nfs/dbraw/zinc/91/80/20/1207918020.db2.gz XBOARFHXAMHRQB-BRWVUGGUSA-N 2 0 362.474 0.048 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194299715 1207930523 /nfs/dbraw/zinc/93/05/23/1207930523.db2.gz VMROYGOKCGOQJB-QZTJIDSGSA-N 2 0 362.474 0.496 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CC1 ZINC001194430313 1207949831 /nfs/dbraw/zinc/94/98/31/1207949831.db2.gz AOENFYZBAJYDLY-KZNAEPCWSA-N 2 0 358.442 0.924 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001195900756 1208044623 /nfs/dbraw/zinc/04/46/23/1208044623.db2.gz QPJRMMLWSHCIAM-FGTMMUONSA-N 2 0 371.522 0.275 20 0 FCADRP C[C@@H](C(=O)NCC1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869403 1208045006 /nfs/dbraw/zinc/04/50/06/1208045006.db2.gz CLBKPJIXBGZTJG-USXIJHARSA-N 2 0 368.522 0.184 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)C1 ZINC001196177053 1208063640 /nfs/dbraw/zinc/06/36/40/1208063640.db2.gz RKZPIDVAHJLLFD-GPMSIDNRSA-N 2 0 371.497 0.787 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O)CC(C)(C)C ZINC001196199418 1208064398 /nfs/dbraw/zinc/06/43/98/1208064398.db2.gz GBONUXOCFYBROX-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCOc2cccc(OC)c2)C[C@H]1O)[NH+](C)C ZINC001196267902 1208069738 /nfs/dbraw/zinc/06/97/38/1208069738.db2.gz JAJOXZPOMQYNSO-FGTMMUONSA-N 2 0 365.474 0.576 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@H+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001196269311 1208069947 /nfs/dbraw/zinc/06/99/47/1208069947.db2.gz SKXNAYTXXMYPOB-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306480 1208071215 /nfs/dbraw/zinc/07/12/15/1208071215.db2.gz FWPHOILKWQDEKH-KZNAEPCWSA-N 2 0 371.522 0.465 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307292 1208071296 /nfs/dbraw/zinc/07/12/96/1208071296.db2.gz NWXLNMNXAQJOHE-RCCFBDPRSA-N 2 0 371.522 0.464 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804472 1208107953 /nfs/dbraw/zinc/10/79/53/1208107953.db2.gz ZWJBVPNSHLWXAF-IAGOWNOFSA-N 2 0 367.494 0.035 20 0 FCADRP O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220736212 1225045348 /nfs/dbraw/zinc/04/53/48/1225045348.db2.gz DTMGFHMDVIPTKY-ZWKOTPCHSA-N 2 0 358.486 0.882 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320386 1208152952 /nfs/dbraw/zinc/15/29/52/1208152952.db2.gz YRAUFPLWXQXGBS-QZTJIDSGSA-N 2 0 371.522 0.321 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001198047966 1208213461 /nfs/dbraw/zinc/21/34/61/1208213461.db2.gz PVSLIFCJUGKLSP-QZTJIDSGSA-N 2 0 361.486 0.667 20 0 FCADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690031 1208278374 /nfs/dbraw/zinc/27/83/74/1208278374.db2.gz SCCFKHDAFDUSEW-QXAKKESOSA-N 2 0 361.486 0.625 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199057456 1208314526 /nfs/dbraw/zinc/31/45/26/1208314526.db2.gz KBJLHHOMDGETMT-KZNAEPCWSA-N 2 0 369.506 0.219 20 0 FCADRP CCn1nnc(C)c1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071159 1208316029 /nfs/dbraw/zinc/31/60/29/1208316029.db2.gz LTPBBRJDCKGKOK-NVXWUHKLSA-N 2 0 364.494 0.144 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001199111771 1208321580 /nfs/dbraw/zinc/32/15/80/1208321580.db2.gz LLKFORBJACJEEY-KZNAEPCWSA-N 2 0 367.465 0.231 20 0 FCADRP Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)c1 ZINC001220764640 1225060335 /nfs/dbraw/zinc/06/03/35/1225060335.db2.gz QYPMJUOLVPNLTO-MOPGFXCFSA-N 2 0 363.502 0.851 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cnn(C)c2)ncn1 ZINC001691703487 1208426336 /nfs/dbraw/zinc/42/63/36/1208426336.db2.gz GHQMYJPYNXYPMA-ZWKOTPCHSA-N 2 0 371.489 0.554 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206089 1208669599 /nfs/dbraw/zinc/66/95/99/1208669599.db2.gz KVDGVHFTXPEFHQ-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207290 1208671718 /nfs/dbraw/zinc/67/17/18/1208671718.db2.gz UCLKNKCEHRJHJI-SQNIBIBYSA-N 2 0 363.506 0.366 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1O ZINC001489382287 1208804766 /nfs/dbraw/zinc/80/47/66/1208804766.db2.gz ZCELBRIAPXUUED-HZPDHXFCSA-N 2 0 370.538 0.384 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220827077 1225091935 /nfs/dbraw/zinc/09/19/35/1225091935.db2.gz GVNWSBGLQYYFJY-KRWDZBQOSA-N 2 0 371.437 0.873 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220850917 1225107011 /nfs/dbraw/zinc/10/70/11/1225107011.db2.gz AHTWOLDFZXECBZ-HNNXBMFYSA-N 2 0 359.426 0.358 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2CC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220851488 1225108116 /nfs/dbraw/zinc/10/81/16/1225108116.db2.gz XVUWUTWNTKJDMV-HNNXBMFYSA-N 2 0 357.454 0.816 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](c2ccc(C)cc2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220851416 1225108444 /nfs/dbraw/zinc/10/84/44/1225108444.db2.gz VQLMJMWLOFGANS-KRWDZBQOSA-N 2 0 374.485 0.353 20 0 FCADRP CCOC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001220875919 1225120267 /nfs/dbraw/zinc/12/02/67/1225120267.db2.gz BGDKUAIMJDGKRA-IRXDYDNUSA-N 2 0 362.474 0.200 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851689628 1209514867 /nfs/dbraw/zinc/51/48/67/1209514867.db2.gz OICJDIOMOGXCOP-MSOLQXFVSA-N 2 0 371.485 0.230 20 0 FCADRP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220924596 1225143230 /nfs/dbraw/zinc/14/32/30/1225143230.db2.gz YNYSYELUAFBGSG-KRWDZBQOSA-N 2 0 374.460 0.603 20 0 FCADRP O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220929525 1225146379 /nfs/dbraw/zinc/14/63/79/1225146379.db2.gz BJCPPQKRWFKHJZ-MRXNPFEDSA-N 2 0 358.490 0.683 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N(C1COC1)[C@@H]1CC[C@@H]([NH3+])CC1 ZINC001220930016 1225146569 /nfs/dbraw/zinc/14/65/69/1225146569.db2.gz KCGZSAQRJKQYIZ-BQFCYCMXSA-N 2 0 374.485 0.170 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001110662321 1209586817 /nfs/dbraw/zinc/58/68/17/1209586817.db2.gz LHNHCODTVOAJAB-VXNCWWDNSA-N 2 0 358.486 0.947 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673624 1209607935 /nfs/dbraw/zinc/60/79/35/1209607935.db2.gz KAYYTQHYVMHGGX-TVFCKZIOSA-N 2 0 369.506 0.216 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NCCO[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001220939541 1225150172 /nfs/dbraw/zinc/15/01/72/1225150172.db2.gz OBKLUUOVKFMIMA-QGZVFWFLSA-N 2 0 360.458 0.358 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941238 1225150250 /nfs/dbraw/zinc/15/02/50/1225150250.db2.gz OBJHFGZUUUOHET-KKUMJFAQSA-N 2 0 362.478 0.569 20 0 FCADRP [NH3+]CCn1cc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)nn1 ZINC000854146032 1209616967 /nfs/dbraw/zinc/61/69/67/1209616967.db2.gz ASEFDUCQSLQYBM-OAHLLOKOSA-N 2 0 355.402 0.860 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N(C1COC1)[C@@H]1CC[C@@H]([NH3+])CC1 ZINC001220930323 1225146952 /nfs/dbraw/zinc/14/69/52/1225146952.db2.gz OCHAKKLTNANNIN-ZQIUZPCESA-N 2 0 357.458 0.930 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854649802 1209638260 /nfs/dbraw/zinc/63/82/60/1209638260.db2.gz HALCURAWCAVSAP-HHARLNAUSA-N 2 0 368.522 0.230 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000861574423 1209871838 /nfs/dbraw/zinc/87/18/38/1209871838.db2.gz UKCVNLDTCJEHQO-RHSMWYFYSA-N 2 0 361.490 0.873 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861573572 1209871880 /nfs/dbraw/zinc/87/18/80/1209871880.db2.gz JLXKVNKQAXUCCE-KZNAEPCWSA-N 2 0 366.506 0.650 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683826 1209874132 /nfs/dbraw/zinc/87/41/32/1209874132.db2.gz BDKPTBRHEQJOAA-HKUYNNGSSA-N 2 0 362.474 0.253 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000861749560 1209879435 /nfs/dbraw/zinc/87/94/35/1209879435.db2.gz CJUHGUZBFLFWCK-IRXDYDNUSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000861760945 1209880497 /nfs/dbraw/zinc/88/04/97/1209880497.db2.gz RYYFPVKNKNHURY-PXNSSMCTSA-N 2 0 374.485 0.119 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861913109 1209888350 /nfs/dbraw/zinc/88/83/50/1209888350.db2.gz ZGNNKACNWVMNNM-PTCDMQIASA-N 2 0 362.518 0.295 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000863766632 1209951178 /nfs/dbraw/zinc/95/11/78/1209951178.db2.gz WNCIFAHBWRDSHG-HNNXBMFYSA-N 2 0 361.490 0.952 20 0 FCADRP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000864906111 1209967813 /nfs/dbraw/zinc/96/78/13/1209967813.db2.gz LTJXIVPOFJXAKL-OVYGPGRDSA-N 2 0 366.481 0.811 20 0 FCADRP CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCNC1=O ZINC000865069557 1209969960 /nfs/dbraw/zinc/96/99/60/1209969960.db2.gz HUZXUZOKMQHCFW-IBGZPJMESA-N 2 0 359.474 0.626 20 0 FCADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001220994558 1225180115 /nfs/dbraw/zinc/18/01/15/1225180115.db2.gz WTQGEBSOAWYNHS-MSOLQXFVSA-N 2 0 363.506 0.390 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000868287443 1210049538 /nfs/dbraw/zinc/04/95/38/1210049538.db2.gz YVYNDACMKGJCJA-CABCVRRESA-N 2 0 359.474 0.715 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000868310542 1210051794 /nfs/dbraw/zinc/05/17/94/1210051794.db2.gz VEXVILDJOUHTFO-UHFFFAOYSA-N 2 0 373.501 0.583 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375728 1210056323 /nfs/dbraw/zinc/05/63/23/1210056323.db2.gz VRPYBTMXWOBKQB-KURKYZTESA-N 2 0 365.522 0.129 20 0 FCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000870876461 1210121065 /nfs/dbraw/zinc/12/10/65/1210121065.db2.gz CJHKEYKJJCADBI-IYARVYRRSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(C)([NH+]3CCCC3)CC1)C2=O ZINC000872643668 1210199030 /nfs/dbraw/zinc/19/90/30/1210199030.db2.gz ADSLVJLCYSNDDD-UHFFFAOYSA-N 2 0 363.506 0.910 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cn1 ZINC000873101143 1210233495 /nfs/dbraw/zinc/23/34/95/1210233495.db2.gz AFHZOIFJANPLSK-INIZCTEOSA-N 2 0 370.457 0.214 20 0 FCADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063046 1225205189 /nfs/dbraw/zinc/20/51/89/1225205189.db2.gz KAFFHOTYTDTMSG-OALUTQOASA-N 2 0 359.518 0.518 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@]12C[C@@H]1CC[NH2+]2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072528 1225209698 /nfs/dbraw/zinc/20/96/98/1225209698.db2.gz HBFXNUKHEKWUJW-BDYRQONGSA-N 2 0 367.490 0.157 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000876773466 1210429278 /nfs/dbraw/zinc/42/92/78/1210429278.db2.gz RJRBVVGUBAALDI-IAGOWNOFSA-N 2 0 361.490 0.910 20 0 FCADRP [NH3+]C1(CNC(=O)/C=C/CN2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921719 1210434306 /nfs/dbraw/zinc/43/43/06/1210434306.db2.gz JZKFBRVXMFMLTD-QPJJXVBHSA-N 2 0 372.513 0.985 20 0 FCADRP O=C(C[NH+]1CCC(F)CC1)N1CCN(C(=O)C[NH+]2CCC(F)CC2)CC1 ZINC000880243796 1210523178 /nfs/dbraw/zinc/52/31/78/1210523178.db2.gz VGASLSOFOUVNGH-UHFFFAOYSA-N 2 0 372.460 0.525 20 0 FCADRP C[NH+]1CCC(NC(=O)Cn2cc(COc3ccccc3C[NH3+])nn2)CC1 ZINC000881329651 1210583795 /nfs/dbraw/zinc/58/37/95/1210583795.db2.gz HPIMSAKMWDKGPR-UHFFFAOYSA-N 2 0 358.446 0.526 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000888887438 1210594101 /nfs/dbraw/zinc/59/41/01/1210594101.db2.gz NXIFIGLLYXXQKV-HZPDHXFCSA-N 2 0 369.510 0.249 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000888887436 1210594182 /nfs/dbraw/zinc/59/41/82/1210594182.db2.gz NXIFIGLLYXXQKV-CVEARBPZSA-N 2 0 369.510 0.249 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000883603708 1210673240 /nfs/dbraw/zinc/67/32/40/1210673240.db2.gz BMAZOOWBZIKPIH-SJLPKXTDSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883607105 1210674456 /nfs/dbraw/zinc/67/44/56/1210674456.db2.gz LGQQMKKKQGJMCH-WMLDXEAASA-N 2 0 359.474 0.621 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611489 1210674949 /nfs/dbraw/zinc/67/49/49/1210674949.db2.gz ZNBPAELXTBBXBF-YOEHRIQHSA-N 2 0 359.474 0.634 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611486 1210675331 /nfs/dbraw/zinc/67/53/31/1210675331.db2.gz ZNBPAELXTBBXBF-PBHICJAKSA-N 2 0 359.474 0.634 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883639394 1210677708 /nfs/dbraw/zinc/67/77/08/1210677708.db2.gz OGVWFVOZBFYTJO-HOTGVXAUSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883643160 1210678137 /nfs/dbraw/zinc/67/81/37/1210678137.db2.gz FNZUTAGPZBKAOL-VYDXJSESSA-N 2 0 357.458 0.329 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC2(c3cccnc3)CC[NH2+]CC2)cc1 ZINC001221124027 1225230449 /nfs/dbraw/zinc/23/04/49/1225230449.db2.gz SQVSUUXPUFBAIN-KRWDZBQOSA-N 2 0 367.453 0.445 20 0 FCADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000884016775 1210710188 /nfs/dbraw/zinc/71/01/88/1210710188.db2.gz DNOOWIFAAKUCMF-MRXNPFEDSA-N 2 0 374.485 0.569 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000884183231 1210720179 /nfs/dbraw/zinc/72/01/79/1210720179.db2.gz GQIIBHDLXPDTCB-HZPDHXFCSA-N 2 0 361.490 0.720 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221586 1210724063 /nfs/dbraw/zinc/72/40/63/1210724063.db2.gz VNNLDTVNEVHLLL-KRWDZBQOSA-N 2 0 372.517 0.390 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234212 1210724910 /nfs/dbraw/zinc/72/49/10/1210724910.db2.gz MAERPXISGAEBMS-MRXNPFEDSA-N 2 0 360.506 0.247 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884309084 1210729225 /nfs/dbraw/zinc/72/92/25/1210729225.db2.gz LXRUIPZQFCBCAC-KRWDZBQOSA-N 2 0 361.490 0.674 20 0 FCADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884340532 1210731161 /nfs/dbraw/zinc/73/11/61/1210731161.db2.gz KJPSIMYVJQKMTP-HKUYNNGSSA-N 2 0 373.501 0.850 20 0 FCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344967 1210731843 /nfs/dbraw/zinc/73/18/43/1210731843.db2.gz TVQQKGBNBWYLKI-XHSDSOJGSA-N 2 0 365.522 0.743 20 0 FCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344964 1210731902 /nfs/dbraw/zinc/73/19/02/1210731902.db2.gz TVQQKGBNBWYLKI-JYJNAYRXSA-N 2 0 365.522 0.743 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000884489296 1210738567 /nfs/dbraw/zinc/73/85/67/1210738567.db2.gz UWHXUBJVMPIXCZ-WAOWUJCRSA-N 2 0 370.497 0.835 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000884504021 1210740198 /nfs/dbraw/zinc/74/01/98/1210740198.db2.gz ZEEFKJSQUHZDMF-QGZVFWFLSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884509358 1210742090 /nfs/dbraw/zinc/74/20/90/1210742090.db2.gz DJUSILNHAVZFBY-IIAWOOMASA-N 2 0 359.474 0.671 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884516651 1210742578 /nfs/dbraw/zinc/74/25/78/1210742578.db2.gz QBCUUTMAEOYQHX-ROUUACIJSA-N 2 0 356.470 0.382 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000884518770 1210743868 /nfs/dbraw/zinc/74/38/68/1210743868.db2.gz ZFTTVNLMSTYHPP-ROUUACIJSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532781 1210745285 /nfs/dbraw/zinc/74/52/85/1210745285.db2.gz QDTYEPGJFSPKOW-LEUOFYLZSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884555458 1210750112 /nfs/dbraw/zinc/75/01/12/1210750112.db2.gz RRHNMNPGSGKUHH-MZMPZRCHSA-N 2 0 356.470 0.416 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884557730 1210750822 /nfs/dbraw/zinc/75/08/22/1210750822.db2.gz XRPYSAKFQNOPAH-QZTJIDSGSA-N 2 0 371.485 0.515 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000884576460 1210754873 /nfs/dbraw/zinc/75/48/73/1210754873.db2.gz IBSFTNRTGLLGOW-GOSISDBHSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884577384 1210755157 /nfs/dbraw/zinc/75/51/57/1210755157.db2.gz DOFIQAUOJBYGLC-CRAIPNDOSA-N 2 0 358.486 0.604 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884577324 1210755805 /nfs/dbraw/zinc/75/58/05/1210755805.db2.gz CJFNPLLLAOCSJD-MOPGFXCFSA-N 2 0 370.497 0.904 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598308 1210758693 /nfs/dbraw/zinc/75/86/93/1210758693.db2.gz XSBSGRBKNLSIJO-PDOICOKGSA-N 2 0 364.534 0.929 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884603117 1210759866 /nfs/dbraw/zinc/75/98/66/1210759866.db2.gz BYOSYGBJNJGIHX-HNAYVOBHSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604594 1210760505 /nfs/dbraw/zinc/76/05/05/1210760505.db2.gz LOSQIVIINBXSEC-LNNXQNCSSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@H+](C)CC1 ZINC000884623504 1210765060 /nfs/dbraw/zinc/76/50/60/1210765060.db2.gz FVNWWKPCRSIRII-HOCLYGCPSA-N 2 0 364.490 0.028 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884627370 1210765730 /nfs/dbraw/zinc/76/57/30/1210765730.db2.gz NDCDJJJBASUQHV-YOEHRIQHSA-N 2 0 356.470 0.418 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626708 1210765784 /nfs/dbraw/zinc/76/57/84/1210765784.db2.gz SBVMXLLGKGFPSR-OAGGEKHMSA-N 2 0 364.490 0.004 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000884633212 1210768799 /nfs/dbraw/zinc/76/87/99/1210768799.db2.gz YBKQRJZJFPKUMD-MGPUTAFESA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884632626 1210769011 /nfs/dbraw/zinc/76/90/11/1210769011.db2.gz VJRKOXKHJVOXJJ-ROUUACIJSA-N 2 0 371.485 0.767 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000884640665 1210770655 /nfs/dbraw/zinc/77/06/55/1210770655.db2.gz LUXYERIKSKJFJT-QGZVFWFLSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCN(C)CC1 ZINC000884669975 1210775403 /nfs/dbraw/zinc/77/54/03/1210775403.db2.gz LVEQPDDKNUUJJN-MRXNPFEDSA-N 2 0 367.538 0.106 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000884669959 1210775560 /nfs/dbraw/zinc/77/55/60/1210775560.db2.gz LKIFZGHFRFYDMC-HOTGVXAUSA-N 2 0 366.506 0.109 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884674948 1210777425 /nfs/dbraw/zinc/77/74/25/1210777425.db2.gz MZLRZOVXGNTXOJ-ZWKOTPCHSA-N 2 0 370.497 0.835 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884678653 1210778361 /nfs/dbraw/zinc/77/83/61/1210778361.db2.gz HQMIVBORZNKMGX-KSZLIROESA-N 2 0 356.470 0.445 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000884690846 1210781109 /nfs/dbraw/zinc/78/11/09/1210781109.db2.gz NNISDVGLZRGVDA-CRAIPNDOSA-N 2 0 367.453 0.935 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688525 1210781141 /nfs/dbraw/zinc/78/11/41/1210781141.db2.gz GQPXDFLVQAMYIZ-KBAYOESNSA-N 2 0 358.486 0.739 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000884690797 1210781494 /nfs/dbraw/zinc/78/14/94/1210781494.db2.gz MICKMNJSGCXYSZ-SFHVURJKSA-N 2 0 373.501 0.041 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000884706550 1210785014 /nfs/dbraw/zinc/78/50/14/1210785014.db2.gz GYRUGSVPEUMQPR-LSDHHAIUSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706602 1210785086 /nfs/dbraw/zinc/78/50/86/1210785086.db2.gz IIFDZNWEJXRXJV-HOTGVXAUSA-N 2 0 368.522 0.940 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884706572 1210785119 /nfs/dbraw/zinc/78/51/19/1210785119.db2.gz HPUSGZKKWYRYPJ-OLMNPRSZSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715615 1210785621 /nfs/dbraw/zinc/78/56/21/1210785621.db2.gz YUBDAQVFMSEUCE-WBVHZDCISA-N 2 0 358.486 0.868 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884712506 1210785665 /nfs/dbraw/zinc/78/56/65/1210785665.db2.gz SJNXFVAIDIYJEM-DNVCBOLYSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721118 1210788471 /nfs/dbraw/zinc/78/84/71/1210788471.db2.gz AUSFCQOSGKSLCM-LPHOPBHVSA-N 2 0 370.497 0.907 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884726663 1210790719 /nfs/dbraw/zinc/79/07/19/1210790719.db2.gz ZEEBCCZYEGBRFU-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)cc1 ZINC000884752813 1210792618 /nfs/dbraw/zinc/79/26/18/1210792618.db2.gz ZJSWDHDXPTUVFI-KRWDZBQOSA-N 2 0 358.486 0.931 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834479 1210800300 /nfs/dbraw/zinc/80/03/00/1210800300.db2.gz XCKUJOULTQMWAL-LULLPPNCSA-N 2 0 370.497 0.834 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884833584 1210800332 /nfs/dbraw/zinc/80/03/32/1210800332.db2.gz MMRVDYPUZXWAJT-WDSOQIARSA-N 2 0 372.513 0.939 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835242 1210800533 /nfs/dbraw/zinc/80/05/33/1210800533.db2.gz NMLKMHKNAXDGND-LZLYRXPVSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884833080 1210800568 /nfs/dbraw/zinc/80/05/68/1210800568.db2.gz FVWRSDLQLPGGRB-NJAFHUGGSA-N 2 0 374.485 0.057 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884890120 1210802894 /nfs/dbraw/zinc/80/28/94/1210802894.db2.gz PZNMSZCNNRXFIK-MSOLQXFVSA-N 2 0 360.502 0.863 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000884983464 1210807121 /nfs/dbraw/zinc/80/71/21/1210807121.db2.gz SHVVYRIVTKXBBA-FXAWDEMLSA-N 2 0 358.486 0.883 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137883 1210811887 /nfs/dbraw/zinc/81/18/87/1210811887.db2.gz KPLQCHNUPMGYMJ-CABCVRRESA-N 2 0 366.506 0.250 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885152577 1210813125 /nfs/dbraw/zinc/81/31/25/1210813125.db2.gz RFEGBISIIFPKBA-GOSISDBHSA-N 2 0 358.486 0.761 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157728 1210813569 /nfs/dbraw/zinc/81/35/69/1210813569.db2.gz QUHBTMDIRPHATR-LPHOPBHVSA-N 2 0 372.513 0.911 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885162623 1210813912 /nfs/dbraw/zinc/81/39/12/1210813912.db2.gz QJIOGLSDAJVHQD-GUDVDZBRSA-N 2 0 370.497 0.760 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000885162336 1210814031 /nfs/dbraw/zinc/81/40/31/1210814031.db2.gz KZYXRKOWQFMLGA-ROUUACIJSA-N 2 0 356.470 0.514 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292141 1210817602 /nfs/dbraw/zinc/81/76/02/1210817602.db2.gz RLCQLWDOHOLBJU-HUUCEWRRSA-N 2 0 372.460 0.538 20 0 FCADRP Cn1ccn2c(CC[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)nnc2c1=O ZINC000886285444 1210826609 /nfs/dbraw/zinc/82/66/09/1210826609.db2.gz ISZUFKLHNCYPOY-UHFFFAOYSA-N 2 0 370.457 0.701 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000886993709 1210842124 /nfs/dbraw/zinc/84/21/24/1210842124.db2.gz JTCDMTSINKIGEX-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887068287 1210845039 /nfs/dbraw/zinc/84/50/39/1210845039.db2.gz IUEWERYWTACZLR-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887067933 1210845042 /nfs/dbraw/zinc/84/50/42/1210845042.db2.gz BYZAPWITFODNBW-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC[C@H]1[NH3+] ZINC000887091372 1210847043 /nfs/dbraw/zinc/84/70/43/1210847043.db2.gz ITVRUZLHQGYNIJ-BFYDXBDKSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000887091345 1210847182 /nfs/dbraw/zinc/84/71/82/1210847182.db2.gz HZNZGMCTFGFGLM-VYDXJSESSA-N 2 0 357.458 0.329 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083340 1210875700 /nfs/dbraw/zinc/87/57/00/1210875700.db2.gz DPWGNKBZAPTKTR-WBVHZDCISA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000887632299 1210883897 /nfs/dbraw/zinc/88/38/97/1210883897.db2.gz KBAHBUJXRVNGPC-CVEARBPZSA-N 2 0 369.510 0.105 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889742968 1210946222 /nfs/dbraw/zinc/94/62/22/1210946222.db2.gz CHSKXOGQYZQVTR-BTRQGYIVSA-N 2 0 365.518 0.935 20 0 FCADRP O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771192 1210950349 /nfs/dbraw/zinc/95/03/49/1210950349.db2.gz XYMWPIPASYHIJD-SBHAEUEKSA-N 2 0 373.497 0.681 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138027 1210968181 /nfs/dbraw/zinc/96/81/81/1210968181.db2.gz OOCDAJPPNFIWRE-GOSISDBHSA-N 2 0 369.554 0.765 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138028 1210968460 /nfs/dbraw/zinc/96/84/60/1210968460.db2.gz OOCDAJPPNFIWRE-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001274419281 1211049971 /nfs/dbraw/zinc/04/99/71/1211049971.db2.gz RLBPNWNVMIWIJT-UYAOXDASSA-N 2 0 364.534 0.583 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001221187627 1225259830 /nfs/dbraw/zinc/25/98/30/1225259830.db2.gz CFUBTGFYZRBEKH-KKUMJFAQSA-N 2 0 372.510 0.287 20 0 FCADRP CN1C[C@@H]2CN(C(=O)C[C@@H]3COCCN3Cc3ccccc3)C[C@H](C1)O2 ZINC001274694050 1211103585 /nfs/dbraw/zinc/10/35/85/1211103585.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 0 359.470 0.819 20 0 FCADRP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001274909604 1211142647 /nfs/dbraw/zinc/14/26/47/1211142647.db2.gz ZHPJWTUUMMYLCY-QHEDDYRISA-N 2 0 361.490 0.580 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143006 1211179433 /nfs/dbraw/zinc/17/94/33/1211179433.db2.gz QLKNPXQSKTYUNN-UYAOXDASSA-N 2 0 364.534 0.585 20 0 FCADRP O=C1CC[C@@H](C[N@@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3=O)CC2)N1 ZINC001275149223 1211181603 /nfs/dbraw/zinc/18/16/03/1211181603.db2.gz VCVSIEQDTWBWJH-LPHOPBHVSA-N 2 0 359.474 0.866 20 0 FCADRP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275162482 1211186340 /nfs/dbraw/zinc/18/63/40/1211186340.db2.gz VGQVMZLBDXAUCD-IBGZPJMESA-N 2 0 361.490 0.940 20 0 FCADRP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@H+](C)CCN3C)(C1)CCC2 ZINC001275172285 1211189098 /nfs/dbraw/zinc/18/90/98/1211189098.db2.gz UQXQCSWHPYXIPS-YTQUADARSA-N 2 0 368.522 0.404 20 0 FCADRP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176158 1211189351 /nfs/dbraw/zinc/18/93/51/1211189351.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 2 0 365.566 0.498 20 0 FCADRP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176154 1211189568 /nfs/dbraw/zinc/18/95/68/1211189568.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 2 0 365.566 0.498 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(CO)cc1)C2 ZINC001275177331 1211190182 /nfs/dbraw/zinc/19/01/82/1211190182.db2.gz PBEQFZUUSIJUFE-FQEVSTJZSA-N 2 0 361.486 0.791 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4nonc43)C2)OCC1=O ZINC001275180240 1211192317 /nfs/dbraw/zinc/19/23/17/1211192317.db2.gz XZBPMCOWWKIDFN-SFHVURJKSA-N 2 0 359.430 0.588 20 0 FCADRP COc1nccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275262018 1211205094 /nfs/dbraw/zinc/20/50/94/1211205094.db2.gz WCZXWGRJSYXAIZ-GOSISDBHSA-N 2 0 361.446 0.388 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001275309254 1211213417 /nfs/dbraw/zinc/21/34/17/1211213417.db2.gz UXODKKJQKAUSBC-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337610 1211217739 /nfs/dbraw/zinc/21/77/39/1211217739.db2.gz SVFOPFBXPHYBBU-LJQANCHMSA-N 2 0 361.490 0.737 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnc(C)n3C)C2)C1=O ZINC001275391928 1211229670 /nfs/dbraw/zinc/22/96/70/1211229670.db2.gz BTCLJBLFCOQAKD-GOSISDBHSA-N 2 0 361.446 0.206 20 0 FCADRP COc1cc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)ccn1 ZINC001275404807 1211232239 /nfs/dbraw/zinc/23/22/39/1211232239.db2.gz FNHBAZLIBNICQK-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275512709 1211252755 /nfs/dbraw/zinc/25/27/55/1211252755.db2.gz USKWBOWFBAOVNM-FQEVSTJZSA-N 2 0 366.550 0.831 20 0 FCADRP COCCOCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556965 1211256350 /nfs/dbraw/zinc/25/63/50/1211256350.db2.gz RAGAIDAIWVXFEI-IBGZPJMESA-N 2 0 367.490 0.790 20 0 FCADRP Cn1cnnc1CNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001275556866 1211256381 /nfs/dbraw/zinc/25/63/81/1211256381.db2.gz PEWRQFPELPYVAE-INIZCTEOSA-N 2 0 360.506 0.875 20 0 FCADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221246253 1225280373 /nfs/dbraw/zinc/28/03/73/1225280373.db2.gz VOZOZJMUDFSUJO-CRAIPNDOSA-N 2 0 358.490 0.568 20 0 FCADRP CC(C)(C)C(=O)OCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736852 1211278649 /nfs/dbraw/zinc/27/86/49/1211278649.db2.gz HXGFMQABQPJLFU-LJQANCHMSA-N 2 0 367.490 0.836 20 0 FCADRP Cc1noc(CN2C(=O)C[C@@]3(CCC[N@H+](CC4CC[NH2+]CC4)C3)C2=O)n1 ZINC001275736530 1211278654 /nfs/dbraw/zinc/27/86/54/1211278654.db2.gz FRPNPBULOCTAFN-GOSISDBHSA-N 2 0 361.446 0.719 20 0 FCADRP O=C1CC[C@@H](CN2C(=O)C[C@@]3(CCC[N@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736146 1211278780 /nfs/dbraw/zinc/27/87/80/1211278780.db2.gz CDXWWHFJQIKOKZ-HNAYVOBHSA-N 2 0 362.474 0.106 20 0 FCADRP O=C(NCCN1CCOCC1)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275736479 1211278867 /nfs/dbraw/zinc/27/88/67/1211278867.db2.gz DUHNQEIFIHQRNR-SFHVURJKSA-N 2 0 364.534 0.537 20 0 FCADRP NC(=O)CCCCCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737455 1211278882 /nfs/dbraw/zinc/27/88/82/1211278882.db2.gz KVTDVZLXMPABSZ-IBGZPJMESA-N 2 0 366.506 0.335 20 0 FCADRP COC[C@H](NC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)C(=O)OC ZINC001275738253 1211279312 /nfs/dbraw/zinc/27/93/12/1211279312.db2.gz WQXCOFWPKZRRFD-CVEARBPZSA-N 2 0 367.490 0.392 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738442 1211279433 /nfs/dbraw/zinc/27/94/33/1211279433.db2.gz ZFWLUKSSLXMLBN-KXBFYZLASA-N 2 0 367.490 0.489 20 0 FCADRP COCCOCN1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833918 1211293977 /nfs/dbraw/zinc/29/39/77/1211293977.db2.gz SFOVIIDLPVVPLG-IBGZPJMESA-N 2 0 369.506 0.642 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552707 1211295633 /nfs/dbraw/zinc/29/56/33/1211295633.db2.gz GXSINKCSIVYNKH-ZWKOTPCHSA-N 2 0 367.538 0.375 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C4CC[NH+](C5CC5)CC4)CC3)[C@H]2C1 ZINC001275856980 1211298772 /nfs/dbraw/zinc/29/87/72/1211298772.db2.gz PEDYOLHXYPVHAW-IRXDYDNUSA-N 2 0 360.502 0.530 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877476 1211303040 /nfs/dbraw/zinc/30/30/40/1211303040.db2.gz CDHWUJNTVBPJRO-FXAWDEMLSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275878352 1211303919 /nfs/dbraw/zinc/30/39/19/1211303919.db2.gz JRKGIPDGZLLJRW-LPHOPBHVSA-N 2 0 367.490 0.583 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881248 1211305565 /nfs/dbraw/zinc/30/55/65/1211305565.db2.gz YKVXRCDGTUPYCQ-APWZRJJASA-N 2 0 366.506 0.286 20 0 FCADRP Cn1cnnc1CN1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275879251 1211305813 /nfs/dbraw/zinc/30/58/13/1211305813.db2.gz PDEMZUOSJRRGBJ-INIZCTEOSA-N 2 0 360.506 0.971 20 0 FCADRP COc1cccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275959083 1211318234 /nfs/dbraw/zinc/31/82/34/1211318234.db2.gz PVTAKHAYKNWVTK-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCOC2)n1 ZINC001095433140 1211335368 /nfs/dbraw/zinc/33/53/68/1211335368.db2.gz ZICXCOHLKXBCQN-MVJTYMMSSA-N 2 0 361.490 0.816 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC000545882336 1211425742 /nfs/dbraw/zinc/42/57/42/1211425742.db2.gz NLUAWNDRRRUWNZ-HXUWFJFHSA-N 2 0 360.502 0.690 20 0 FCADRP Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426290 /nfs/dbraw/zinc/42/62/90/1211426290.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 0 359.474 0.726 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[NH+](C)C2)c1)C1CC1 ZINC000546585045 1211437988 /nfs/dbraw/zinc/43/79/88/1211437988.db2.gz ATRLOBNZDBZQLH-FQEVSTJZSA-N 2 0 374.485 0.445 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000547277401 1211452211 /nfs/dbraw/zinc/45/22/11/1211452211.db2.gz HUVDHEGLMHZCQN-LJQANCHMSA-N 2 0 361.490 0.935 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC000924472328 1211470907 /nfs/dbraw/zinc/47/09/07/1211470907.db2.gz DIEHLAUMRZBJHO-ZWKOTPCHSA-N 2 0 373.501 0.847 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000924670730 1211476598 /nfs/dbraw/zinc/47/65/98/1211476598.db2.gz HZCJWGBFGMXBMM-NVXWUHKLSA-N 2 0 364.490 0.894 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924668922 1211476960 /nfs/dbraw/zinc/47/69/60/1211476960.db2.gz SEKGOFIQASIQBD-UONOGXRCSA-N 2 0 359.474 0.893 20 0 FCADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000925568432 1211502544 /nfs/dbraw/zinc/50/25/44/1211502544.db2.gz ARKXKKQCQAGYKA-RTBURBONSA-N 2 0 360.502 0.989 20 0 FCADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CN3CC[NH+](CC)CC3)C2)[C@@H]1C(C)C ZINC000926254496 1211522870 /nfs/dbraw/zinc/52/28/70/1211522870.db2.gz UIXJBCSODIQVSP-JYBIWHBTSA-N 2 0 366.550 0.610 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638497 1211577823 /nfs/dbraw/zinc/57/78/23/1211577823.db2.gz UQGHPVLKAMRPQZ-JZXOWHBKSA-N 2 0 368.522 0.990 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000927881425 1211589286 /nfs/dbraw/zinc/58/92/86/1211589286.db2.gz BRERAUKWSOCIQO-MRXNPFEDSA-N 2 0 373.501 0.964 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000927897145 1211590828 /nfs/dbraw/zinc/59/08/28/1211590828.db2.gz JSVDRUNNEOFUAD-JKSUJKDBSA-N 2 0 371.485 0.445 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365376 1225302597 /nfs/dbraw/zinc/30/25/97/1225302597.db2.gz ALAZESCOWNWQKO-QLFBSQMISA-N 2 0 363.389 0.575 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221397074 1225306542 /nfs/dbraw/zinc/30/65/42/1225306542.db2.gz DWTWQMAJUQLGRH-ROUUACIJSA-N 3 0 358.486 0.270 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)Cc1cn(C=O)c2ccccc12 ZINC001221389882 1225305394 /nfs/dbraw/zinc/30/53/94/1225305394.db2.gz NHOXGEDSIXYVMS-MRXNPFEDSA-N 2 0 372.473 0.613 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c1 ZINC001221403132 1225305976 /nfs/dbraw/zinc/30/59/76/1225305976.db2.gz FLHKAUJGKSGEPB-ZWKOTPCHSA-N 2 0 370.453 0.497 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221398765 1225306185 /nfs/dbraw/zinc/30/61/85/1225306185.db2.gz FGKHRIPGHIFJFF-DLBZAZTESA-N 2 0 366.469 0.360 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221399241 1225306221 /nfs/dbraw/zinc/30/62/21/1225306221.db2.gz JFKJUJSTDGGQEH-ZWKOTPCHSA-N 2 0 365.481 0.965 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c1 ZINC001221406940 1225307827 /nfs/dbraw/zinc/30/78/27/1225307827.db2.gz VQTZFCBZKRHDSM-HOTGVXAUSA-N 2 0 370.457 0.354 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000931486157 1211757387 /nfs/dbraw/zinc/75/73/87/1211757387.db2.gz MTXJXSJPNODTIA-UHFFFAOYSA-N 2 0 362.474 0.791 20 0 FCADRP COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485909 1211757717 /nfs/dbraw/zinc/75/77/17/1211757717.db2.gz SGOZEJIESFRXTI-OAHLLOKOSA-N 2 0 368.474 0.832 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000933849676 1211848543 /nfs/dbraw/zinc/84/85/43/1211848543.db2.gz WTTNTBSOLSIPFG-UHFFFAOYSA-N 2 0 368.522 0.140 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1ccncc1)C1CC1 ZINC000934222981 1211859230 /nfs/dbraw/zinc/85/92/30/1211859230.db2.gz JUWTWVMBWALMQU-QGZVFWFLSA-N 2 0 361.490 0.601 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC000968864450 1212157996 /nfs/dbraw/zinc/15/79/96/1212157996.db2.gz WZYIADRJESLDIK-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001111281115 1212232161 /nfs/dbraw/zinc/23/21/61/1212232161.db2.gz GUQJRJLZMASWPA-XDNAFOTISA-N 2 0 363.502 0.999 20 0 FCADRP CCN(C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111281270 1212233334 /nfs/dbraw/zinc/23/33/34/1212233334.db2.gz KXOLQILECCNBBV-ZACQAIPSSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000949179244 1212313795 /nfs/dbraw/zinc/31/37/95/1212313795.db2.gz DLJNOTKIBDDGHK-UKPHBRMFSA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001006448994 1212479639 /nfs/dbraw/zinc/47/96/39/1212479639.db2.gz NJEYQCQMFWFUEJ-BFYDXBDKSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001006458060 1212584025 /nfs/dbraw/zinc/58/40/25/1212584025.db2.gz RDDBXZFNQLUTDA-HYVNUMGLSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)CC[N@@H+]1C ZINC001008209277 1212660630 /nfs/dbraw/zinc/66/06/30/1212660630.db2.gz SPMQJBWJVNSDFN-OAGGEKHMSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001009287193 1212832012 /nfs/dbraw/zinc/83/20/12/1212832012.db2.gz USQCAZXPJGSLEA-ZWOKBUDYSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000951781355 1212876482 /nfs/dbraw/zinc/87/64/82/1212876482.db2.gz RDJXZBJGLVNQCC-CKEIUWERSA-N 2 0 355.442 0.863 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221654400 1225419569 /nfs/dbraw/zinc/41/95/69/1225419569.db2.gz IVHISEDVGMBDDF-IXDOHACOSA-N 2 0 363.506 0.507 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000954407776 1213068991 /nfs/dbraw/zinc/06/89/91/1213068991.db2.gz KZPOKGKOOFCMCB-RHSMWYFYSA-N 2 0 366.506 0.107 20 0 FCADRP Cc1c(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)ccc2c[nH+]cn21 ZINC001221663379 1225424248 /nfs/dbraw/zinc/42/42/48/1225424248.db2.gz DDPKWAAXZYUWGT-CRAIPNDOSA-N 2 0 358.442 0.798 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663911 1225424889 /nfs/dbraw/zinc/42/48/89/1225424889.db2.gz URGHPANLVOBDQO-UWWQBHOKSA-N 2 0 358.442 0.796 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641792630 1213216294 /nfs/dbraw/zinc/21/62/94/1213216294.db2.gz VTAWMPBJYBUHOP-GOSISDBHSA-N 2 0 369.554 0.814 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000956984279 1213226094 /nfs/dbraw/zinc/22/60/94/1213226094.db2.gz MOVWMJMNSZZXPP-SZVBFZGTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000956989844 1213227003 /nfs/dbraw/zinc/22/70/03/1213227003.db2.gz OEXIXGRBHYCBDZ-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276337417 1213418537 /nfs/dbraw/zinc/41/85/37/1213418537.db2.gz CMOQCCDFFMXWFY-IBGZPJMESA-N 2 0 369.506 0.973 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)C1 ZINC001095912103 1213450706 /nfs/dbraw/zinc/45/07/06/1213450706.db2.gz ICPJMNWQFNLAIM-OWSLCNJRSA-N 2 0 361.490 0.714 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408041 1213744987 /nfs/dbraw/zinc/74/49/87/1213744987.db2.gz DUTTXOJRBGLABU-IXDOHACOSA-N 2 0 364.490 0.005 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21)[NH+](C)C ZINC000960568559 1213823096 /nfs/dbraw/zinc/82/30/96/1213823096.db2.gz GCCIOXCXMASIGG-IXDOHACOSA-N 2 0 366.506 0.107 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21)[NH+](C)C ZINC000960568104 1213823355 /nfs/dbraw/zinc/82/33/55/1213823355.db2.gz BECDQRNFKJRLLA-YYIAUSFCSA-N 2 0 368.522 0.351 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001221791254 1225482676 /nfs/dbraw/zinc/48/26/76/1225482676.db2.gz DBUHVRAWQIORDI-ZIFCJYIRSA-N 2 0 361.486 0.911 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21)[NH+](C)C ZINC000960665425 1213878609 /nfs/dbraw/zinc/87/86/09/1213878609.db2.gz CBAVLJAWBARGCB-YESZJQIVSA-N 2 0 366.506 0.249 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960739399 1213916505 /nfs/dbraw/zinc/91/65/05/1213916505.db2.gz NWHONZKGZXIDGF-TWMKSMIVSA-N 2 0 366.506 0.105 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960780697 1213934776 /nfs/dbraw/zinc/93/47/76/1213934776.db2.gz JWQGQSCPJQWHPA-LUKYLMHMSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419154369 1214023116 /nfs/dbraw/zinc/02/31/16/1214023116.db2.gz RLJPYHFTGJTAIV-HXUWFJFHSA-N 2 0 374.485 0.598 20 0 FCADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862643 1225510381 /nfs/dbraw/zinc/51/03/81/1225510381.db2.gz HULDDWKJIWVVFA-LZLYRXPVSA-N 2 0 363.506 0.752 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001019416432 1214239660 /nfs/dbraw/zinc/23/96/60/1214239660.db2.gz LBFATNJYFOJKMD-OTWHNJEPSA-N 2 0 368.485 0.814 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1)[NH+](C)C ZINC000961668490 1214263766 /nfs/dbraw/zinc/26/37/66/1214263766.db2.gz FUSVFJXUOCTWHW-RZFLPCETSA-N 2 0 364.534 0.974 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccc(F)cc1 ZINC000419756966 1214287826 /nfs/dbraw/zinc/28/78/26/1214287826.db2.gz HECMJFJVDRGZNY-LJQANCHMSA-N 2 0 362.449 0.728 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871008 1225515947 /nfs/dbraw/zinc/51/59/47/1225515947.db2.gz RPGJZUINHQVJOY-CEXWTWQISA-N 2 0 361.486 0.902 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858795 1214447962 /nfs/dbraw/zinc/44/79/62/1214447962.db2.gz UIOXOICRDSMKNK-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC001040208701 1214484656 /nfs/dbraw/zinc/48/46/56/1214484656.db2.gz BOOVXGVNCYSLIZ-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000964214108 1214916591 /nfs/dbraw/zinc/91/65/91/1214916591.db2.gz SVTCGHGPQPPMKP-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000965044646 1215018182 /nfs/dbraw/zinc/01/81/82/1215018182.db2.gz MJNWSPRRYGBPAT-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCOCC3CC3)C[C@H]21 ZINC001222017890 1225577129 /nfs/dbraw/zinc/57/71/29/1225577129.db2.gz AWOWWGZCFQZHBJ-BHIYHBOVSA-N 2 0 365.518 0.914 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000965987085 1215156969 /nfs/dbraw/zinc/15/69/69/1215156969.db2.gz QNUWJBOJIFQSES-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000966107997 1215162503 /nfs/dbraw/zinc/16/25/03/1215162503.db2.gz JWMVOAZCUYMKGM-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966370155 1215170860 /nfs/dbraw/zinc/17/08/60/1215170860.db2.gz RLWWAHBVCGLAJV-BBWFWOEESA-N 2 0 366.506 0.033 20 0 FCADRP c1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc(OCCN2CCOCC2)c1 ZINC001222091334 1225597927 /nfs/dbraw/zinc/59/79/27/1225597927.db2.gz QQPSLIPDCGCWBK-UHFFFAOYSA-N 2 0 374.529 0.925 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001056083671 1215946699 /nfs/dbraw/zinc/94/66/99/1215946699.db2.gz VFHMCPGQTJLGBS-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693790 1225646117 /nfs/dbraw/zinc/64/61/17/1225646117.db2.gz ADQMYSKFBIMQIN-SQNIBIBYSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001000359623 1216041729 /nfs/dbraw/zinc/04/17/29/1216041729.db2.gz UHPSRKUZQPZHTC-MOPGFXCFSA-N 2 0 370.497 0.755 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001050049024 1216274090 /nfs/dbraw/zinc/27/40/90/1216274090.db2.gz DXFPEDIHQDIEMM-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC001050050855 1216274535 /nfs/dbraw/zinc/27/45/35/1216274535.db2.gz IZNHLZXVMQROMD-WNRNVDISSA-N 2 0 360.506 0.931 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276844210 1225663717 /nfs/dbraw/zinc/66/37/17/1225663717.db2.gz XXIITWHWXWDRFF-SFHVURJKSA-N 2 0 361.446 0.504 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050523840 1216331535 /nfs/dbraw/zinc/33/15/35/1216331535.db2.gz KDWAAFJFFPTGOL-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001051624209 1216468496 /nfs/dbraw/zinc/46/84/96/1216468496.db2.gz NGFCOHCNSRANHQ-FGTMMUONSA-N 2 0 363.506 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC001051625092 1216470578 /nfs/dbraw/zinc/47/05/78/1216470578.db2.gz XKALZJFBDNXLJL-FGTMMUONSA-N 2 0 361.490 0.832 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738875 1216529329 /nfs/dbraw/zinc/52/93/29/1216529329.db2.gz HIIFAZRXYGOLMK-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CN(C(=O)CC[NH+](C)C)CCO3)CC[N@@H+]1C ZINC001068454547 1216738831 /nfs/dbraw/zinc/73/88/31/1216738831.db2.gz UTFVFXGLUAYCBZ-JKSUJKDBSA-N 2 0 366.506 0.108 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068901434 1216767076 /nfs/dbraw/zinc/76/70/76/1216767076.db2.gz IVBAYDBQULKBPR-OWCLPIDISA-N 2 0 366.506 0.153 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969477 1216875581 /nfs/dbraw/zinc/87/55/81/1216875581.db2.gz XXWPFQGMKHKRDA-OAGGEKHMSA-N 2 0 364.469 0.996 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)c1ccc2c[nH+]cn2c1 ZINC001069979745 1216882073 /nfs/dbraw/zinc/88/20/73/1216882073.db2.gz MDOKJMDAOMKEDW-CVEARBPZSA-N 2 0 357.393 0.941 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)CC1 ZINC001223410951 1225705063 /nfs/dbraw/zinc/70/50/63/1225705063.db2.gz JKOASSFJXGVPTA-QAPCUYQASA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC[NH+](CCNC(=O)C3CC3)CC2)O1 ZINC001223569286 1225716709 /nfs/dbraw/zinc/71/67/09/1225716709.db2.gz BGPSGPMQINXPGO-RHSMWYFYSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N4CCCC4)C3)C2)CC[N@@H+]1C ZINC001041296314 1217270304 /nfs/dbraw/zinc/27/03/04/1217270304.db2.gz FTAIOYMLIGFSAA-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCN4CCNC4=O)C3)C2)CC[N@@H+]1C ZINC001041297510 1217271021 /nfs/dbraw/zinc/27/10/21/1217271021.db2.gz QFJKNTOCODBMHB-MDZRGWNJSA-N 2 0 363.506 0.276 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@@H+]1C ZINC001041308192 1217276340 /nfs/dbraw/zinc/27/63/40/1217276340.db2.gz UVENKRMJQYGFPT-SCTDSRPQSA-N 2 0 360.506 0.933 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001043271978 1217624471 /nfs/dbraw/zinc/62/44/71/1217624471.db2.gz MKHBQJMYERDPCC-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224298078 1225770970 /nfs/dbraw/zinc/77/09/70/1225770970.db2.gz MFHSYRFOUYHVLE-SJORKVTESA-N 2 0 359.474 0.674 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276981863 1225784466 /nfs/dbraw/zinc/78/44/66/1225784466.db2.gz IKUZEJDUKABAAW-FXAWDEMLSA-N 2 0 358.486 0.612 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000900056930 1217958385 /nfs/dbraw/zinc/95/83/85/1217958385.db2.gz AOORJTQYNYWLDO-XLIONFOSSA-N 2 0 374.485 0.661 20 0 FCADRP COc1cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000900480580 1217995700 /nfs/dbraw/zinc/99/57/00/1217995700.db2.gz IIMZGYWCENJENS-HNAYVOBHSA-N 2 0 365.474 0.707 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900497977 1217999306 /nfs/dbraw/zinc/99/93/06/1217999306.db2.gz QLRKJEGRMOTZSZ-MRXNPFEDSA-N 2 0 364.494 0.117 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900575430 1218007905 /nfs/dbraw/zinc/00/79/05/1218007905.db2.gz WVHQNBZYCLQNMN-UHFFFAOYSA-N 2 0 364.494 0.071 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900688419 1218024924 /nfs/dbraw/zinc/02/49/24/1218024924.db2.gz ICIQNQPVIGIFBO-UHFFFAOYSA-N 2 0 367.582 0.936 20 0 FCADRP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900807559 1218040306 /nfs/dbraw/zinc/04/03/06/1218040306.db2.gz UQPBALWLYHZGRI-FXAWDEMLSA-N 2 0 373.545 0.798 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001096355862 1218262834 /nfs/dbraw/zinc/26/28/34/1218262834.db2.gz FHOSZNZVXPRACX-UGUYLWEFSA-N 2 0 356.474 0.583 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001225379031 1225809326 /nfs/dbraw/zinc/80/93/26/1225809326.db2.gz WBEXUXWPRMQCOX-ZACQAIPSSA-N 2 0 366.506 0.393 20 0 FCADRP COc1nccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829749 1218324505 /nfs/dbraw/zinc/32/45/05/1218324505.db2.gz VLUDVHIDZOCHDN-PNBKFKSVSA-N 2 0 359.474 0.716 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049150069 1218389556 /nfs/dbraw/zinc/38/95/56/1218389556.db2.gz QDHFUGTYRHGXSZ-NCOADZHNSA-N 2 0 368.522 0.089 20 0 FCADRP O=C1c2ccccc2C(=O)N1CCOCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000903452265 1218414676 /nfs/dbraw/zinc/41/46/76/1218414676.db2.gz KRHHPNXASCGGGB-INIZCTEOSA-N 2 0 372.469 0.279 20 0 FCADRP O=C1[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCN1C1CCOCC1 ZINC000903508379 1218430734 /nfs/dbraw/zinc/43/07/34/1218430734.db2.gz DZUVIWJGUXMOTB-CEXWTWQISA-N 2 0 362.518 0.667 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000903777645 1218523103 /nfs/dbraw/zinc/52/31/03/1218523103.db2.gz CJIHEJHTWSKQAD-GJZGRUSLSA-N 2 0 359.474 0.610 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@H]21 ZINC000903779059 1218523942 /nfs/dbraw/zinc/52/39/42/1218523942.db2.gz UWAWKQNSPYCGJL-USXIJHARSA-N 2 0 371.485 0.752 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cccc2c1CC[NH2+]C2 ZINC000903913934 1218563200 /nfs/dbraw/zinc/56/32/00/1218563200.db2.gz FXHSXDRSNIHKHC-UHFFFAOYSA-N 2 0 360.502 0.555 20 0 FCADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(CCc2cnccn2)CC1 ZINC000903937867 1218569246 /nfs/dbraw/zinc/56/92/46/1218569246.db2.gz SWZXQOQDRKGLCJ-QGZVFWFLSA-N 2 0 356.478 0.353 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000803995635 1218579148 /nfs/dbraw/zinc/57/91/48/1218579148.db2.gz JLJXSBSOMQHENE-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226781884 1225854326 /nfs/dbraw/zinc/85/43/26/1225854326.db2.gz DPKKJUULAZEUAN-ZIAGYGMSSA-N 2 0 367.494 0.333 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001226818293 1225855123 /nfs/dbraw/zinc/85/51/23/1225855123.db2.gz MFBFCKSERRVQII-KZNAEPCWSA-N 2 0 363.506 0.745 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226942385 1225858765 /nfs/dbraw/zinc/85/87/65/1225858765.db2.gz YNEOPQNKPZHITP-KURKYZTESA-N 2 0 370.538 0.742 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357465 1219033289 /nfs/dbraw/zinc/03/32/89/1219033289.db2.gz LVHNMBOVJCASHN-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)C[NH+]3CCCC3)CC2)O1 ZINC001055578397 1219085792 /nfs/dbraw/zinc/08/57/92/1219085792.db2.gz MNHKQIYZYSWMMR-NVXWUHKLSA-N 2 0 366.506 0.347 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001055583282 1219087633 /nfs/dbraw/zinc/08/76/33/1219087633.db2.gz HKOPRYTXSHNYGU-BHYGNILZSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H](C(=O)NCCN1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1)[NH+](C)C ZINC001055601851 1219096059 /nfs/dbraw/zinc/09/60/59/1219096059.db2.gz FGLZYGRWNNCRAP-PVAVHDDUSA-N 2 0 368.522 0.448 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055610756 1219098339 /nfs/dbraw/zinc/09/83/39/1219098339.db2.gz VHEPPZBGEXSEPG-JXXFODFXSA-N 2 0 362.518 0.825 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804051105 1219103366 /nfs/dbraw/zinc/10/33/66/1219103366.db2.gz NEDUCXRAWAHLAT-YYIAUSFCSA-N 2 0 364.490 0.051 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000804062210 1219117582 /nfs/dbraw/zinc/11/75/82/1219117582.db2.gz DDXHBZTUVKRVLO-IRXDYDNUSA-N 2 0 368.522 0.591 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001070068177 1219131409 /nfs/dbraw/zinc/13/14/09/1219131409.db2.gz KRABVMVPWFNQRA-UAGQMJEPSA-N 2 0 364.494 0.121 20 0 FCADRP C[NH+](C)CCN1CCC2(CN(C(=O)c3cn(-c4cc[nH+]cc4)cn3)C2)C1 ZINC001277201157 1225870920 /nfs/dbraw/zinc/87/09/20/1225870920.db2.gz QTBKITJBEUMMDM-UHFFFAOYSA-N 2 0 354.458 0.977 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070158198 1219243754 /nfs/dbraw/zinc/24/37/54/1219243754.db2.gz ARMJWESGRFBIAC-ZACQAIPSSA-N 2 0 355.446 0.309 20 0 FCADRP CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070173772 1219264531 /nfs/dbraw/zinc/26/45/31/1219264531.db2.gz LPAYHGPMZUDSPW-OAGGEKHMSA-N 2 0 368.522 0.448 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227614237 1225880105 /nfs/dbraw/zinc/88/01/05/1225880105.db2.gz UOESOVFFGBYVCS-HQWNSDKXSA-N 2 0 364.490 0.003 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070219801 1219301928 /nfs/dbraw/zinc/30/19/28/1219301928.db2.gz LAHJZBVSXBIZBQ-KURKYZTESA-N 2 0 369.473 0.699 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277323 1219344145 /nfs/dbraw/zinc/34/41/45/1219344145.db2.gz MJQFGNMPZLQHGT-SQNIBIBYSA-N 2 0 371.489 0.863 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n3ccnn3)C2)CC1 ZINC001070305093 1219363382 /nfs/dbraw/zinc/36/33/82/1219363382.db2.gz DKEVUSMIKPUGMJ-UAGQMJEPSA-N 2 0 364.494 0.121 20 0 FCADRP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070308177 1219365609 /nfs/dbraw/zinc/36/56/09/1219365609.db2.gz GCBDPOXGRHCYPZ-SJORKVTESA-N 2 0 364.469 0.711 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001070312465 1219369714 /nfs/dbraw/zinc/36/97/14/1219369714.db2.gz SYAKBJUPIXRIOK-SJORKVTESA-N 2 0 358.490 0.906 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001070382607 1219407871 /nfs/dbraw/zinc/40/78/71/1219407871.db2.gz HZYQJKAWAPVUDE-APWZRJJASA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4c[nH]nc43)C2)OCC1=O ZINC001277263078 1225893777 /nfs/dbraw/zinc/89/37/77/1225893777.db2.gz ZAODIJCGZLHWFT-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001070705239 1219534001 /nfs/dbraw/zinc/53/40/01/1219534001.db2.gz KJWCPSXYXMHRNX-GVDBMIGSSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070718175 1219541069 /nfs/dbraw/zinc/54/10/69/1219541069.db2.gz QQOIYLLCABLYNT-BRWVUGGUSA-N 2 0 371.489 0.153 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913594 1219566862 /nfs/dbraw/zinc/56/68/62/1219566862.db2.gz QTISRBKLDVAQBZ-XHSDSOJGSA-N 2 0 364.490 0.985 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001228270460 1225906505 /nfs/dbraw/zinc/90/65/05/1225906505.db2.gz QWPISOFDFYBDFM-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(N)=O ZINC001071062372 1219597964 /nfs/dbraw/zinc/59/79/64/1219597964.db2.gz ZGZNXAXXVQQEMT-QBIMZIAESA-N 2 0 366.506 0.330 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746581 1219620915 /nfs/dbraw/zinc/62/09/15/1219620915.db2.gz VIPUJCLDVUKFDM-JQHSSLGASA-N 2 0 365.518 0.648 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)CC1 ZINC001228342131 1225912515 /nfs/dbraw/zinc/91/25/15/1225912515.db2.gz SXTKOFWEEYBHAU-HUUCEWRRSA-N 2 0 363.462 0.972 20 0 FCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC([N@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098398319 1219773053 /nfs/dbraw/zinc/77/30/53/1219773053.db2.gz OLBGTZRNVRWPFL-USXIJHARSA-N 2 0 362.474 0.835 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399033 1219773883 /nfs/dbraw/zinc/77/38/83/1219773883.db2.gz VQHMSYBTFFWCPJ-MLHJIOFPSA-N 2 0 356.470 0.959 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099122445 1219921646 /nfs/dbraw/zinc/92/16/46/1219921646.db2.gz UCSIBYOAXBMBAS-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001099538178 1220027472 /nfs/dbraw/zinc/02/74/72/1220027472.db2.gz OZMMRJKBLYJIOW-KHYOSLBOSA-N 2 0 362.474 0.106 20 0 FCADRP c1nnc(C2CC[NH+](CCOCC[NH+]3CCC(c4nnc[nH]4)CC3)CC2)[nH]1 ZINC000751500323 1220037440 /nfs/dbraw/zinc/03/74/40/1220037440.db2.gz WWWMJEAAKXVZJH-UHFFFAOYSA-N 2 0 374.493 0.998 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001228669055 1225941870 /nfs/dbraw/zinc/94/18/70/1225941870.db2.gz KHTYOYDFSMBNAC-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)CC1 ZINC000755779526 1220148307 /nfs/dbraw/zinc/14/83/07/1220148307.db2.gz JQKVMBCYZUFNNM-INIZCTEOSA-N 3 0 363.506 0.624 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001101241413 1220241546 /nfs/dbraw/zinc/24/15/46/1220241546.db2.gz AKWLLPJNMTXELK-APWZRJJASA-N 2 0 363.506 0.875 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267592 1220256938 /nfs/dbraw/zinc/25/69/38/1220256938.db2.gz LQVUHLKDVDCXJU-GGPKGHCWSA-N 2 0 367.534 0.754 20 0 FCADRP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101291295 1220271395 /nfs/dbraw/zinc/27/13/95/1220271395.db2.gz AVKMTAFQQOYFAE-APWZRJJASA-N 2 0 358.442 0.737 20 0 FCADRP C[C@]12CN(C(=O)c3cccc4nccn43)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101297222 1220274692 /nfs/dbraw/zinc/27/46/92/1220274692.db2.gz VLKFCTMZMBJZII-BEFAXECRSA-N 2 0 358.442 0.737 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336516 1220292301 /nfs/dbraw/zinc/29/23/01/1220292301.db2.gz GAMNVWQHRGVAAQ-NSHGMRRFSA-N 2 0 367.534 0.898 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382501 1220311486 /nfs/dbraw/zinc/31/14/86/1220311486.db2.gz KFNSZLZENWYYMZ-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001101389169 1220316632 /nfs/dbraw/zinc/31/66/32/1220316632.db2.gz HQNWGUIMDVCOAB-MJGOQNOKSA-N 2 0 363.506 0.875 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101413488 1220330019 /nfs/dbraw/zinc/33/00/19/1220330019.db2.gz OWBXEBMUHZRNFJ-QUCCMNQESA-N 2 0 367.534 0.896 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431303 1220339405 /nfs/dbraw/zinc/33/94/05/1220339405.db2.gz JEACMZTVFZMKCX-MDZRGWNJSA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443496 1220347431 /nfs/dbraw/zinc/34/74/31/1220347431.db2.gz HSPHNODFJKIICU-LMMKCTJWSA-N 2 0 371.522 0.132 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461854 1220359930 /nfs/dbraw/zinc/35/99/30/1220359930.db2.gz WNBGINMGIWUHQT-APWZRJJASA-N 2 0 366.506 0.015 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]2C)CC[NH+]1C ZINC001101982963 1220452491 /nfs/dbraw/zinc/45/24/91/1220452491.db2.gz UTSLIUJSYOFHJE-JOCBIADPSA-N 2 0 364.534 0.927 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015455 1220462604 /nfs/dbraw/zinc/46/26/04/1220462604.db2.gz GFTKKMBHKGQJCZ-OAGGEKHMSA-N 2 0 371.501 0.376 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047767 1220477426 /nfs/dbraw/zinc/47/74/26/1220477426.db2.gz SBLUYGBGIQIZLY-KYJSFNMBSA-N 2 0 368.522 0.163 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229037567 1225974485 /nfs/dbraw/zinc/97/44/85/1225974485.db2.gz LRBZVDOCZVAUJE-HZPDHXFCSA-N 2 0 364.494 0.211 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229038128 1225974673 /nfs/dbraw/zinc/97/46/73/1225974673.db2.gz PRPBPOXVCVEHEL-GVDBMIGSSA-N 2 0 367.494 0.083 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290418 1220576526 /nfs/dbraw/zinc/57/65/26/1220576526.db2.gz DGTQGZAJOSUMST-ZACQAIPSSA-N 2 0 363.506 0.270 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102316450 1220582830 /nfs/dbraw/zinc/58/28/30/1220582830.db2.gz QRYCTYSSRWJRGX-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320922 1220584774 /nfs/dbraw/zinc/58/47/74/1220584774.db2.gz ZIPOBKOTLNNRBB-HUUCEWRRSA-N 2 0 365.526 0.606 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001102357613 1220590657 /nfs/dbraw/zinc/59/06/57/1220590657.db2.gz CACXOCROAAWKRI-ZACQAIPSSA-N 2 0 367.538 0.816 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489256 1220652452 /nfs/dbraw/zinc/65/24/52/1220652452.db2.gz ZVMJLYKNEBIVNA-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102497402 1220658212 /nfs/dbraw/zinc/65/82/12/1220658212.db2.gz RDUVNNLEBNDTJP-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514136 1220673315 /nfs/dbraw/zinc/67/33/15/1220673315.db2.gz OAPOCTOKVVHJNX-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514048 1220673455 /nfs/dbraw/zinc/67/34/55/1220673455.db2.gz KTAAQCQIZZRRCF-BPQIPLTHSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515410 1220674717 /nfs/dbraw/zinc/67/47/17/1220674717.db2.gz RPHOFEPTIFXMMV-HUUCEWRRSA-N 2 0 361.490 0.970 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520717 1220678477 /nfs/dbraw/zinc/67/84/77/1220678477.db2.gz WIXROGZTCOALLL-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102525333 1220681920 /nfs/dbraw/zinc/68/19/20/1220681920.db2.gz XBTYYDWXZMRVOO-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579836 1220701786 /nfs/dbraw/zinc/70/17/86/1220701786.db2.gz SATSFWYXKBKYOS-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581008 1220702242 /nfs/dbraw/zinc/70/22/42/1220702242.db2.gz VJESHOJACLQCSG-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599895 1220721922 /nfs/dbraw/zinc/72/19/22/1220721922.db2.gz CIMLHBGBMYYNEP-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001103141426 1220840113 /nfs/dbraw/zinc/84/01/13/1220840113.db2.gz FIAZXTNYTFSFJY-BRWVUGGUSA-N 2 0 362.518 0.825 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156405 1220841864 /nfs/dbraw/zinc/84/18/64/1220841864.db2.gz BFVCPEBARSSOMU-KFWWJZLASA-N 2 0 366.506 0.596 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1occc1C[NH+](C)C ZINC001103373080 1220873022 /nfs/dbraw/zinc/87/30/22/1220873022.db2.gz BMMCDJSESMOEGH-FMKPAKJESA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380443 1220874104 /nfs/dbraw/zinc/87/41/04/1220874104.db2.gz XAOBMIPEXIXGBP-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001103643805 1220926267 /nfs/dbraw/zinc/92/62/67/1220926267.db2.gz RCKOGJUBEASQFQ-CRAIPNDOSA-N 2 0 363.506 0.937 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654819 1220929437 /nfs/dbraw/zinc/92/94/37/1220929437.db2.gz DAPPZLOBQBDULA-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719259 1220952145 /nfs/dbraw/zinc/95/21/45/1220952145.db2.gz WXPKFWXKYHJOQE-NXHRZFHOSA-N 2 0 364.534 0.929 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103755374 1220966497 /nfs/dbraw/zinc/96/64/97/1220966497.db2.gz FAPLDRQXQFESAQ-KURKYZTESA-N 2 0 365.522 0.658 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001103999869 1220996421 /nfs/dbraw/zinc/99/64/21/1220996421.db2.gz NIHVTOLRCLDGJP-ZACQAIPSSA-N 2 0 366.506 0.014 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000019 1220996438 /nfs/dbraw/zinc/99/64/38/1220996438.db2.gz SISHHLGWJUFSRX-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001103999970 1220996611 /nfs/dbraw/zinc/99/66/11/1220996611.db2.gz QGMRSNRHWKDLFU-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104202897 1221021173 /nfs/dbraw/zinc/02/11/73/1221021173.db2.gz VDXSZASBVVSTMA-KYJSFNMBSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001104209660 1221022225 /nfs/dbraw/zinc/02/22/25/1221022225.db2.gz MADIXVHCUSNJSO-QLFBSQMISA-N 2 0 364.494 0.006 20 0 FCADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2)C1CCC1 ZINC001111778538 1221104924 /nfs/dbraw/zinc/10/49/24/1221104924.db2.gz CGIGULVHPKLFOW-KXBFYZLASA-N 2 0 363.506 0.467 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000888092321 1221136551 /nfs/dbraw/zinc/13/65/51/1221136551.db2.gz ULAHAHVPGCWSKN-FQEVSTJZSA-N 2 0 373.497 0.980 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2)[NH+](C)C ZINC001111876240 1221146298 /nfs/dbraw/zinc/14/62/98/1221146298.db2.gz VWPFSIAXLJPHIK-DOXZYTNZSA-N 2 0 364.490 0.446 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC1 ZINC001111917225 1221167653 /nfs/dbraw/zinc/16/76/53/1221167653.db2.gz RJQIUQHCNXWBKQ-LPHOPBHVSA-N 2 0 369.506 0.077 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(=O)NC)C2 ZINC001111950887 1221182713 /nfs/dbraw/zinc/18/27/13/1221182713.db2.gz GVROPSDXDNAQKH-KSSFIOAISA-N 2 0 367.494 0.145 20 0 FCADRP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001112021274 1221203384 /nfs/dbraw/zinc/20/33/84/1221203384.db2.gz DIGXTLYCCKHZDK-WMZOPIPTSA-N 2 0 357.462 0.926 20 0 FCADRP C[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001112358827 1221245527 /nfs/dbraw/zinc/24/55/27/1221245527.db2.gz UZRWCOSFDVSAES-GJYPPUQNSA-N 2 0 363.506 0.657 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC001112399290 1221252472 /nfs/dbraw/zinc/25/24/72/1221252472.db2.gz LLWCLCSFHJNIQR-HQRMLTQVSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001229683347 1226027806 /nfs/dbraw/zinc/02/78/06/1226027806.db2.gz SGWSBHJACFEQBV-RBSFLKMASA-N 2 0 363.462 0.972 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229715853 1226029544 /nfs/dbraw/zinc/02/95/44/1226029544.db2.gz AIUSGWMXHKHTPX-HZPDHXFCSA-N 2 0 365.522 0.807 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCCC2)CC[N@@H+]1C ZINC001115545169 1221313007 /nfs/dbraw/zinc/31/30/07/1221313007.db2.gz UZCAVGFRHXLJQV-UONOGXRCSA-N 2 0 367.494 0.320 20 0 FCADRP COC[C@](C)(CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001116182971 1221341376 /nfs/dbraw/zinc/34/13/76/1221341376.db2.gz DZVPYTVTLYUGGK-IBGZPJMESA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC001116829077 1221393295 /nfs/dbraw/zinc/39/32/95/1221393295.db2.gz IKRDPTDVEUOHGP-CQSZACIVSA-N 2 0 362.478 0.546 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC001116844383 1221394812 /nfs/dbraw/zinc/39/48/12/1221394812.db2.gz FMBKRDHLSSTFLO-UHFFFAOYSA-N 2 0 362.478 0.689 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001230138160 1226056937 /nfs/dbraw/zinc/05/69/37/1226056937.db2.gz IHTCQDZDAMYEMN-RBSFLKMASA-N 2 0 363.462 0.890 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C ZINC001230149433 1226058149 /nfs/dbraw/zinc/05/81/49/1226058149.db2.gz JKBMAIZBOJHYIS-KBAYOESNSA-N 2 0 363.506 0.905 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC001117979810 1221675305 /nfs/dbraw/zinc/67/53/05/1221675305.db2.gz ACUDCSYHEZFRAN-QGZVFWFLSA-N 2 0 373.501 0.313 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCCCC2)nc1=O ZINC001230266768 1226070152 /nfs/dbraw/zinc/07/01/52/1226070152.db2.gz ZNYPRNPMOLLOQX-HUUCEWRRSA-N 2 0 364.494 0.501 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001118921818 1221844688 /nfs/dbraw/zinc/84/46/88/1221844688.db2.gz FYMSLRRDHJJYCF-USTZCAOPSA-N 2 0 364.534 0.925 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001119298109 1221897963 /nfs/dbraw/zinc/89/79/63/1221897963.db2.gz XBYNBXSWEMRHFO-LBPRGKRZSA-N 2 0 372.420 0.544 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001119347342 1221902731 /nfs/dbraw/zinc/90/27/31/1221902731.db2.gz HHPJFAHZTWUZBP-INIZCTEOSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001120395505 1222077132 /nfs/dbraw/zinc/07/71/32/1222077132.db2.gz XIOQERCPFJVQCM-JKSUJKDBSA-N 2 0 359.474 0.529 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001120395503 1222077368 /nfs/dbraw/zinc/07/73/68/1222077368.db2.gz XIOQERCPFJVQCM-HOTGVXAUSA-N 2 0 359.474 0.529 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001120487628 1222093710 /nfs/dbraw/zinc/09/37/10/1222093710.db2.gz CIJBFVCAGRGYMD-INIZCTEOSA-N 2 0 374.485 0.261 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001120676220 1222114433 /nfs/dbraw/zinc/11/44/33/1222114433.db2.gz VQOQWBHYUNYKHV-GVDBMIGSSA-N 2 0 365.522 0.761 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636303 1222345639 /nfs/dbraw/zinc/34/56/39/1222345639.db2.gz KLRQYCZSKVEQEU-FXAWDEMLSA-N 2 0 371.529 0.935 20 0 FCADRP CC(C)C[NH+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC2CC2)CC1 ZINC001123666806 1222348251 /nfs/dbraw/zinc/34/82/51/1222348251.db2.gz KHERBFVTIKLHGD-OAHLLOKOSA-N 2 0 362.478 0.951 20 0 FCADRP CCC[NH+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@@H]2C1 ZINC001161176332 1222406458 /nfs/dbraw/zinc/40/64/58/1222406458.db2.gz SZLLMDGWFMOVCD-BZSNNMDCSA-N 2 0 358.486 0.473 20 0 FCADRP CC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CCOC)CC1 ZINC000828994817 1222423926 /nfs/dbraw/zinc/42/39/26/1222423926.db2.gz IPGWHHONLBWJTF-CVEARBPZSA-N 2 0 364.494 0.602 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(Cc4cnc(N)nc4)CC3)CC2)CC1 ZINC001138169813 1222489009 /nfs/dbraw/zinc/48/90/09/1222489009.db2.gz WWAJSGYWOGUDDC-UHFFFAOYSA-N 2 0 373.549 0.735 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001138465804 1222510140 /nfs/dbraw/zinc/51/01/40/1222510140.db2.gz UCRURFQGFLQKOF-UHFFFAOYSA-N 2 0 373.457 0.520 20 0 FCADRP COc1nccc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)n1 ZINC001140692368 1222606336 /nfs/dbraw/zinc/60/63/36/1222606336.db2.gz SABIMGGEAQYVLH-UHFFFAOYSA-N 2 0 357.458 0.809 20 0 FCADRP Cc1ncc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC001203112184 1222726344 /nfs/dbraw/zinc/72/63/44/1222726344.db2.gz MJEGQVPIYQSPPK-UHFFFAOYSA-N 2 0 361.490 0.788 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C[NH+](C)C ZINC000839483694 1222741563 /nfs/dbraw/zinc/74/15/63/1222741563.db2.gz FIDQGPGAVRFBER-QZTJIDSGSA-N 2 0 374.485 0.975 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841179462 1222812056 /nfs/dbraw/zinc/81/20/56/1222812056.db2.gz ZXYWLDZWQUXXCV-OAHLLOKOSA-N 2 0 361.490 0.867 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000841226029 1222814603 /nfs/dbraw/zinc/81/46/03/1222814603.db2.gz OHJBDMROOZXOCP-CABCVRRESA-N 2 0 359.474 0.763 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000841268435 1222817222 /nfs/dbraw/zinc/81/72/22/1222817222.db2.gz WONFFILSHNXUQN-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000841282966 1222817996 /nfs/dbraw/zinc/81/79/96/1222817996.db2.gz ZWIJWVOIIJBPFG-RDTXWAMCSA-N 2 0 373.501 0.961 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847556 1222830392 /nfs/dbraw/zinc/83/03/92/1222830392.db2.gz RLNUSQULYOZJDU-MRXNPFEDSA-N 2 0 374.441 0.402 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088923 1222835295 /nfs/dbraw/zinc/83/52/95/1222835295.db2.gz VYUYLDZCNOPGKV-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843345931 1222870736 /nfs/dbraw/zinc/87/07/36/1222870736.db2.gz GPHDAHFKMKHNRV-CQSZACIVSA-N 2 0 365.478 0.594 20 0 FCADRP CN1CC[NH+](CCC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001143230469 1222871882 /nfs/dbraw/zinc/87/18/82/1222871882.db2.gz JRILTVOVWCGHLR-UHFFFAOYSA-N 2 0 374.533 0.501 20 0 FCADRP CC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001277712570 1226168583 /nfs/dbraw/zinc/16/85/83/1226168583.db2.gz JWVJDENMCYKGSJ-QUCCMNQESA-N 2 0 366.550 0.852 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001157323126 1223073884 /nfs/dbraw/zinc/07/38/84/1223073884.db2.gz NHHZYRNPJCTQED-KRWDZBQOSA-N 2 0 361.490 0.653 20 0 FCADRP COc1cc2c(cc1OC)[C@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001157423267 1223076566 /nfs/dbraw/zinc/07/65/66/1223076566.db2.gz QDZJBRLAEWXMES-XJKSGUPXSA-N 2 0 362.474 0.210 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CC[NH2+]CC1 ZINC001157629703 1223080064 /nfs/dbraw/zinc/08/00/64/1223080064.db2.gz PZMOTIQVJHPFRD-GOSISDBHSA-N 2 0 360.458 0.386 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001157720214 1223080905 /nfs/dbraw/zinc/08/09/05/1223080905.db2.gz CRMPVWIXEXXFSO-KRWDZBQOSA-N 2 0 360.458 0.229 20 0 FCADRP Cc1ccc([C@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720604 1223081209 /nfs/dbraw/zinc/08/12/09/1223081209.db2.gz MKGNONXEBJUMMV-RBUKOAKNSA-N 2 0 360.502 0.906 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001157721396 1223081340 /nfs/dbraw/zinc/08/13/40/1223081340.db2.gz XLFYPGSMOOFREM-OAHLLOKOSA-N 2 0 357.454 0.955 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000977805764 1248654515 /nfs/dbraw/zinc/65/45/15/1248654515.db2.gz IFOBOCUUFDTQTD-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960409 1223085283 /nfs/dbraw/zinc/08/52/83/1223085283.db2.gz KJBOWFWICVUAAM-DLBZAZTESA-N 2 0 366.469 0.702 20 0 FCADRP O=C([C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071086 1223088159 /nfs/dbraw/zinc/08/81/59/1223088159.db2.gz UISBXSXGJBRTBQ-FOIQADDNSA-N 2 0 370.453 0.077 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)Cc1csc2ccccc12 ZINC001158091391 1223088356 /nfs/dbraw/zinc/08/83/56/1223088356.db2.gz CHPCIPROPPHMFS-IFXJQAMLSA-N 2 0 372.494 0.852 20 0 FCADRP O=C(c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158082231 1223088678 /nfs/dbraw/zinc/08/86/78/1223088678.db2.gz MHHMKTYEHDZNJY-DLBZAZTESA-N 2 0 370.453 0.080 20 0 FCADRP O=C(NC1CC[NH2+]CC1)c1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158179067 1223090006 /nfs/dbraw/zinc/09/00/06/1223090006.db2.gz GORIYKCPVYHYLQ-SJLPKXTDSA-N 2 0 372.469 0.229 20 0 FCADRP O=C([C@@H]1Oc2ccccc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166709 1223090114 /nfs/dbraw/zinc/09/01/14/1223090114.db2.gz CGAFYZJNQDNSAY-OLMNPRSZSA-N 2 0 357.454 0.516 20 0 FCADRP O=C([C@@H]1Cc2cc(O)ccc2C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263004 1223092160 /nfs/dbraw/zinc/09/21/60/1223092160.db2.gz XSOJYUFZCKCZMV-INIZCTEOSA-N 2 0 368.441 0.119 20 0 FCADRP O=C([C@@H]1CCC2(C1)CC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262666 1223092177 /nfs/dbraw/zinc/09/21/77/1223092177.db2.gz VBZWIANKEXRUNR-OAHLLOKOSA-N 2 0 358.490 0.869 20 0 FCADRP O=C([C@@H]1[NH2+]CCc2cc(F)ccc21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276596 1223093477 /nfs/dbraw/zinc/09/34/77/1223093477.db2.gz AGUZTWWVKNSUEM-QGZVFWFLSA-N 2 0 370.432 0.725 20 0 FCADRP O=C([C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305075 1223094491 /nfs/dbraw/zinc/09/44/91/1223094491.db2.gz BPACOYSLASWZQN-IPELMVKDSA-N 2 0 353.470 0.935 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306214 1223094710 /nfs/dbraw/zinc/09/47/10/1223094710.db2.gz PKUXAIXDVLOTMW-YTQUADARSA-N 2 0 369.469 0.748 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001158411555 1223096669 /nfs/dbraw/zinc/09/66/69/1223096669.db2.gz FMFSCKYZPNUUFG-BPQIPLTHSA-N 2 0 371.522 0.369 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)c1c[nH+]ccc1N)C2 ZINC001158395284 1223096789 /nfs/dbraw/zinc/09/67/89/1223096789.db2.gz UPTRQJIJIJNTQO-LSDHHAIUSA-N 2 0 372.347 0.651 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158411284 1223096969 /nfs/dbraw/zinc/09/69/69/1223096969.db2.gz BQPJZHJPBCWQHS-LSDHHAIUSA-N 2 0 369.510 0.439 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158420895 1223097484 /nfs/dbraw/zinc/09/74/84/1223097484.db2.gz AFAGLDOUGGHYMC-XHSDSOJGSA-N 2 0 357.410 0.721 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1 ZINC001158534890 1223101642 /nfs/dbraw/zinc/10/16/42/1223101642.db2.gz VHHCLZCIJGVFBY-PHXBYCTMSA-N 2 0 359.470 0.935 20 0 FCADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533456 1223101770 /nfs/dbraw/zinc/10/17/70/1223101770.db2.gz LWWAMZJOQCPOOS-HLNWXESRSA-N 2 0 359.470 0.900 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C[C@H]2CF)CC1 ZINC001158568403 1223102523 /nfs/dbraw/zinc/10/25/23/1223102523.db2.gz OZZNCSJMHJVRNL-KFWWJZLASA-N 2 0 361.465 0.670 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158683147 1223104885 /nfs/dbraw/zinc/10/48/85/1223104885.db2.gz WCXZSJNDDTXQOT-WNRNVDISSA-N 2 0 362.474 0.813 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661657 1223105000 /nfs/dbraw/zinc/10/50/00/1223105000.db2.gz YFTIETSMPBUYJR-DGCLKSJQSA-N 2 0 360.393 0.591 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1cccc(O)c1)CC2 ZINC001158890948 1223112050 /nfs/dbraw/zinc/11/20/50/1223112050.db2.gz QXPWFDJRFKONQY-KRWDZBQOSA-N 2 0 374.485 0.465 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031644 1223116283 /nfs/dbraw/zinc/11/62/83/1223116283.db2.gz ZZZQNFUNAXLBRZ-MRXNPFEDSA-N 2 0 359.474 0.489 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001159135570 1223118287 /nfs/dbraw/zinc/11/82/87/1223118287.db2.gz XFXMLVBDMVLTAH-KSZLIROESA-N 2 0 374.533 0.477 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccc([C@H](N)C[NH3+])cc2)C1 ZINC001159134816 1223118407 /nfs/dbraw/zinc/11/84/07/1223118407.db2.gz PTMXVYMYHNAPSC-WMLDXEAASA-N 2 0 356.474 0.675 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159145982 1223118875 /nfs/dbraw/zinc/11/88/75/1223118875.db2.gz KSCDCRFFFMDHLF-TXPKVOOTSA-N 2 0 362.474 0.924 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159225217 1223121239 /nfs/dbraw/zinc/12/12/39/1223121239.db2.gz PIFFXUMSDSWOEQ-ULQDDVLXSA-N 2 0 360.502 0.863 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(OCC3CC[NH2+]CC3)nn2)O1 ZINC001159245884 1223121794 /nfs/dbraw/zinc/12/17/94/1223121794.db2.gz XJJWHDAXDFDQKK-RKVPGOIHSA-N 2 0 365.478 0.992 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnccn2)[C@H](O)OC(C)(C)C)C1 ZINC001159344407 1223125007 /nfs/dbraw/zinc/12/50/07/1223125007.db2.gz UTTAEYXCOASZTQ-WLRQEKSISA-N 2 0 367.494 0.750 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159344406 1223125267 /nfs/dbraw/zinc/12/52/67/1223125267.db2.gz UTTAEYXCOASZTQ-WAXYHTEFSA-N 2 0 367.494 0.750 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]C1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403670 1223126136 /nfs/dbraw/zinc/12/61/36/1223126136.db2.gz RMLZENANILGRHU-LTIDMASMSA-N 2 0 359.474 0.824 20 0 FCADRP CCOC(=O)C1=C(N=c2nc3c(c(N4CCOCC4)[nH]2)C[NH2+]C3)CC[NH2+]C1 ZINC001159453271 1223127418 /nfs/dbraw/zinc/12/74/18/1223127418.db2.gz HUFAPMJDAXUYKB-UHFFFAOYSA-N 2 0 374.445 0.139 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001159472575 1223127750 /nfs/dbraw/zinc/12/77/50/1223127750.db2.gz WHRCQDKOFZNPFL-CUDHKJQZSA-N 2 0 362.518 0.145 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560771 1223129998 /nfs/dbraw/zinc/12/99/98/1223129998.db2.gz NYIPHCNLBZUIRP-IDHHARJASA-N 2 0 373.501 0.882 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666085 1223132709 /nfs/dbraw/zinc/13/27/09/1223132709.db2.gz OYUNYUHLQVYGHQ-KZNAEPCWSA-N 2 0 370.457 0.176 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664495 1223133022 /nfs/dbraw/zinc/13/30/22/1223133022.db2.gz FJXVZWWBNJXECF-XSLAGTTESA-N 2 0 362.449 0.973 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667138 1223133173 /nfs/dbraw/zinc/13/31/73/1223133173.db2.gz SUXGMRIIRUDJKO-OALUTQOASA-N 2 0 373.501 0.225 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834571 1223137731 /nfs/dbraw/zinc/13/77/31/1223137731.db2.gz VONHCVVHGVBYTQ-KBMXLJTQSA-N 2 0 374.514 0.869 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856312 1223138522 /nfs/dbraw/zinc/13/85/22/1223138522.db2.gz SWJRGHKOAJHQEU-BPQIPLTHSA-N 2 0 373.432 0.783 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888684 1223138699 /nfs/dbraw/zinc/13/86/99/1223138699.db2.gz VBNIWGMVKCMUEF-RDJZCZTQSA-N 2 0 367.444 0.817 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160083786 1223144723 /nfs/dbraw/zinc/14/47/23/1223144723.db2.gz CEEVCELQLATIAP-FUHIMQAGSA-N 2 0 373.501 0.653 20 0 FCADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160381820 1223156766 /nfs/dbraw/zinc/15/67/66/1223156766.db2.gz DUEPJWSEEOPTJB-QGZVFWFLSA-N 2 0 363.510 0.178 20 0 FCADRP O=C([C@@H]1CCCC[NH2+]1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406539 1223157969 /nfs/dbraw/zinc/15/79/69/1223157969.db2.gz VBRZWBFVGQNEGT-AWEZNQCLSA-N 2 0 355.446 0.842 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160420719 1223158335 /nfs/dbraw/zinc/15/83/35/1223158335.db2.gz JNBYPOIRULVWPX-ZDUSSCGKSA-N 2 0 358.417 0.447 20 0 FCADRP O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160420863 1223158488 /nfs/dbraw/zinc/15/84/88/1223158488.db2.gz LBOOEEJGPSWVSZ-ZUOKHONESA-N 2 0 372.444 0.837 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423157 1223158921 /nfs/dbraw/zinc/15/89/21/1223158921.db2.gz KQLQSLNTENZJER-GDAAHCPNSA-N 2 0 357.502 0.702 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423159 1223158937 /nfs/dbraw/zinc/15/89/37/1223158937.db2.gz KQLQSLNTENZJER-JCHJZTRSSA-N 2 0 357.502 0.702 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001160422494 1223159027 /nfs/dbraw/zinc/15/90/27/1223159027.db2.gz HACXNTPTRZZKGT-AIHBUXEESA-N 2 0 358.486 0.863 20 0 FCADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)CC1 ZINC001160457141 1223160460 /nfs/dbraw/zinc/16/04/60/1223160460.db2.gz YVLSIABZOBVHHD-INIZCTEOSA-N 2 0 361.490 0.767 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160523450 1223163296 /nfs/dbraw/zinc/16/32/96/1223163296.db2.gz BYZKSDBDWBQYLJ-SQNIBIBYSA-N 2 0 373.501 0.845 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1)C1CC[NH2+]CC1 ZINC001160564980 1223165031 /nfs/dbraw/zinc/16/50/31/1223165031.db2.gz AIWMQKNCCKBVIV-QGZVFWFLSA-N 2 0 356.474 0.534 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001160669966 1223168201 /nfs/dbraw/zinc/16/82/01/1223168201.db2.gz OWZXFJCDQRAQCI-MSOLQXFVSA-N 2 0 364.534 0.774 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726762 1223170770 /nfs/dbraw/zinc/17/07/70/1223170770.db2.gz TUIHYSZEVXMKIF-HOTGVXAUSA-N 2 0 366.506 0.426 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780383 1223171997 /nfs/dbraw/zinc/17/19/97/1223171997.db2.gz POJYZGFDDUTSOX-LQWHRVPQSA-N 3 0 354.498 0.860 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)Cc3ccc(CC[NH3+])cc3)C[C@H]1C2 ZINC001160796902 1223172961 /nfs/dbraw/zinc/17/29/61/1223172961.db2.gz APYYDBWDGRQJQD-IIMDRIAPSA-N 2 0 371.481 0.587 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C3([NH3+])Cc4ccccc4C3)C[C@H]1C[NH2+]CC2 ZINC001160811407 1223174777 /nfs/dbraw/zinc/17/47/77/1223174777.db2.gz PGIVEHACPYTXPL-VQIMIIECSA-N 2 0 357.454 0.484 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160843085 1223176817 /nfs/dbraw/zinc/17/68/17/1223176817.db2.gz JGDQZSPUHASACG-ZDUSSCGKSA-N 2 0 374.411 0.990 20 0 FCADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160955990 1223181622 /nfs/dbraw/zinc/18/16/22/1223181622.db2.gz FJRVVFOTOGBYRS-UHOSZYNNSA-N 2 0 372.513 0.686 20 0 FCADRP O=C(N1CCC2(CC1)OC(=O)c1ccncc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161011155 1223183273 /nfs/dbraw/zinc/18/32/73/1223183273.db2.gz RDKXGTVYHNFEPC-FZKQIMNGSA-N 2 0 356.426 0.269 20 0 FCADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCOCCN3C(=O)C=CC3=O)c2)CC1 ZINC001161029929 1223184245 /nfs/dbraw/zinc/18/42/45/1223184245.db2.gz SQUNUVOZSDVRKK-UHFFFAOYSA-N 2 0 374.441 0.908 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2cc(-c3ccccc3)nc2C1 ZINC001161090597 1223185533 /nfs/dbraw/zinc/18/55/33/1223185533.db2.gz RHUJWCDHRIRLJJ-QGZVFWFLSA-N 2 0 368.485 0.643 20 0 FCADRP O=C([C@H]1CCCC[NH2+]C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197109 1223189190 /nfs/dbraw/zinc/18/91/90/1223189190.db2.gz ZVLLHIRSHTZVHP-IBGZPJMESA-N 2 0 366.550 0.927 20 0 FCADRP Nc1cc[nH+]cc1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161200429 1223189452 /nfs/dbraw/zinc/18/94/52/1223189452.db2.gz DQODDESFEPFTKL-UHFFFAOYSA-N 2 0 361.490 0.658 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001161208431 1223189812 /nfs/dbraw/zinc/18/98/12/1223189812.db2.gz RPXWNXKFBJGUIR-SFHVURJKSA-N 2 0 358.486 0.894 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(c2ncccc2C(=O)N2CC[NH2+]CC2)C2COC2)CC1 ZINC001161281100 1223193596 /nfs/dbraw/zinc/19/35/96/1223193596.db2.gz LMQBKWMTVBDRTG-SHTZXODSSA-N 2 0 359.474 0.602 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274152 1223193835 /nfs/dbraw/zinc/19/38/35/1223193835.db2.gz PCLLFBXAXPAYLF-ZVZYQTTQSA-N 2 0 361.490 0.652 20 0 FCADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271187 1223193959 /nfs/dbraw/zinc/19/39/59/1223193959.db2.gz WZDWEQXMBPDCSM-DLBZAZTESA-N 2 0 371.485 0.278 20 0 FCADRP COc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC2)cc1 ZINC001161303110 1223195141 /nfs/dbraw/zinc/19/51/41/1223195141.db2.gz AUTQTJASUKUJOX-KRWDZBQOSA-N 2 0 360.458 0.307 20 0 FCADRP CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161339025 1223196324 /nfs/dbraw/zinc/19/63/24/1223196324.db2.gz HUNYYKUAMHQRCI-YJBOKZPZSA-N 2 0 371.485 0.754 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371159 1223197125 /nfs/dbraw/zinc/19/71/25/1223197125.db2.gz BGTIWXUFSBMNPW-IAGOWNOFSA-N 2 0 372.517 0.158 20 0 FCADRP COc1cc(O[C@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)ccn1 ZINC001161393576 1223197911 /nfs/dbraw/zinc/19/79/11/1223197911.db2.gz IDHSYSSMVWJXIN-HOTGVXAUSA-N 2 0 360.458 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161439543 1223199055 /nfs/dbraw/zinc/19/90/55/1223199055.db2.gz VOTPKFGSGGHPAX-WRWLIDTKSA-N 2 0 356.470 0.559 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]1C[NH2+]Cc3cccn3C1)CC2 ZINC001161478349 1223200636 /nfs/dbraw/zinc/20/06/36/1223200636.db2.gz LYKVEVUGSLRTAH-ALKREAHSSA-N 2 0 360.458 0.351 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c3ncccc13)CC2 ZINC001161478215 1223200721 /nfs/dbraw/zinc/20/07/21/1223200721.db2.gz LKVZEVNBPBHHGM-YZVOILCLSA-N 2 0 371.441 0.186 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CO[C@@]3(C1)CCC[NH2+]CC3)CC2 ZINC001161477461 1223200767 /nfs/dbraw/zinc/20/07/67/1223200767.db2.gz IUZDHKNKGMNOOY-QXGSTGNESA-N 2 0 365.474 0.289 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1CO[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001161477392 1223200884 /nfs/dbraw/zinc/20/08/84/1223200884.db2.gz HSQNNFMSCMQZGN-LTDCPUDJSA-N 2 0 365.474 0.289 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1ccc3c(c1)CC[NH2+]CC3)CC2 ZINC001161483580 1223201645 /nfs/dbraw/zinc/20/16/45/1223201645.db2.gz MZLGXAWABZSJJR-YLJYHZDGSA-N 2 0 357.454 0.742 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001161489194 1223202050 /nfs/dbraw/zinc/20/20/50/1223202050.db2.gz LGXSJLWMYXHUCR-KXBFYZLASA-N 2 0 361.490 0.896 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](c2cc3ccccc3o2)N2CC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC001161493312 1223202456 /nfs/dbraw/zinc/20/24/56/1223202456.db2.gz KOGHYGJOEUXSAJ-LBTBCDHLSA-N 2 0 358.442 0.691 20 0 FCADRP Cc1ccc([C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)N2CCC[NH2+]CC2)cc1 ZINC001161509191 1223202706 /nfs/dbraw/zinc/20/27/06/1223202706.db2.gz IOBXGKLWEMJDSM-MSOLQXFVSA-N 2 0 358.486 0.518 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001161522648 1223203274 /nfs/dbraw/zinc/20/32/74/1223203274.db2.gz WSDVAGIRLZILSQ-UHFFFAOYSA-N 2 0 366.469 0.736 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001161669876 1223206336 /nfs/dbraw/zinc/20/63/36/1223206336.db2.gz LXYSJACTADEPGH-SHTZXODSSA-N 2 0 361.494 0.287 20 0 FCADRP COC(=O)C1CCN(c2ccc(NCCC[NH2+]CCCC[NH3+])nn2)CC1 ZINC001162292146 1223213304 /nfs/dbraw/zinc/21/33/04/1223213304.db2.gz LTGVBNLDXYEIQJ-UHFFFAOYSA-N 2 0 364.494 0.997 20 0 FCADRP c1cc(NCc2nnn3c2C[NH2+]CCC3)cn2nnc([C@H]3CCC[NH2+]3)c12 ZINC001162971795 1223222803 /nfs/dbraw/zinc/22/28/03/1223222803.db2.gz NYLOQZCNAYDQLE-CYBMUJFWSA-N 2 0 353.434 0.851 20 0 FCADRP c1cc(NCc2nnc3n2CCC[NH2+]C3)cn2nnc([C@@H]3CCC[NH2+]3)c12 ZINC001163017263 1223223906 /nfs/dbraw/zinc/22/39/06/1223223906.db2.gz BODVWDYBHOVYGU-ZDUSSCGKSA-N 2 0 353.434 0.851 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001163128658 1223227367 /nfs/dbraw/zinc/22/73/67/1223227367.db2.gz PEUBOJRKEMTSAN-UHFFFAOYSA-N 2 0 362.482 0.194 20 0 FCADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165112355 1223242063 /nfs/dbraw/zinc/24/20/63/1223242063.db2.gz ZLPJHNBUQHQUPH-QGZVFWFLSA-N 2 0 360.506 0.966 20 0 FCADRP c1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nnc1OC1CC[NH2+]CC1 ZINC001165346581 1223245083 /nfs/dbraw/zinc/24/50/83/1223245083.db2.gz UMPJHRUQEPPVTC-SFHVURJKSA-N 2 0 363.462 0.193 20 0 FCADRP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2cc3c(nn2)CC[NH2+]C3)nc1 ZINC001165460692 1223246415 /nfs/dbraw/zinc/24/64/15/1223246415.db2.gz PORGZWGQPJMVCW-UHFFFAOYSA-N 2 0 364.413 0.884 20 0 FCADRP Cc1nccnc1C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728740 1223255686 /nfs/dbraw/zinc/25/56/86/1223255686.db2.gz SNHFXYVSODKYTI-RHSMWYFYSA-N 2 0 361.490 0.880 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2cc(C3C[NH2+]C3)ncn2)c2c1C[NH2+]CC2 ZINC001165934756 1223261659 /nfs/dbraw/zinc/26/16/59/1223261659.db2.gz DMIVVAMKSOETFQ-GFCCVEGCSA-N 2 0 367.457 0.619 20 0 FCADRP [NH3+]Cc1cc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)ncn1 ZINC001166492416 1223279704 /nfs/dbraw/zinc/27/97/04/1223279704.db2.gz JRJRYUWWKKYQLE-UHFFFAOYSA-N 2 0 351.418 0.753 20 0 FCADRP CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001205216451 1223317267 /nfs/dbraw/zinc/31/72/67/1223317267.db2.gz DANFKMFMGGNZMS-BHIYHBOVSA-N 2 0 363.502 0.783 20 0 FCADRP CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001205216398 1223317335 /nfs/dbraw/zinc/31/73/35/1223317335.db2.gz BPCGMESIBNLSHP-RTBURBONSA-N 2 0 363.502 0.785 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCO)C1 ZINC001205449719 1223323864 /nfs/dbraw/zinc/32/38/64/1223323864.db2.gz XJSKOUVYFPQIPT-ZWKOTPCHSA-N 2 0 367.465 0.670 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205958755 1223343164 /nfs/dbraw/zinc/34/31/64/1223343164.db2.gz FNLCRPRFDFRRHQ-NVXWUHKLSA-N 2 0 365.522 0.597 20 0 FCADRP CCn1ccnc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001207140694 1223419983 /nfs/dbraw/zinc/41/99/83/1223419983.db2.gz BEXKEPGXMXICFW-UHFFFAOYSA-N 2 0 363.506 0.906 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001207481410 1223449007 /nfs/dbraw/zinc/44/90/07/1223449007.db2.gz FWCLXCVQXYPOHZ-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207481627 1223449309 /nfs/dbraw/zinc/44/93/09/1223449309.db2.gz BCACEEMIWRXFSC-GBESFXJTSA-N 2 0 365.518 0.914 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617032 1223461404 /nfs/dbraw/zinc/46/14/04/1223461404.db2.gz MNXIFJKHXJVGLX-BPQIPLTHSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766703 1223477905 /nfs/dbraw/zinc/47/79/05/1223477905.db2.gz DZGGTFXRDDMHPV-DJIMGWMZSA-N 2 0 359.474 0.623 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001208074168 1223513950 /nfs/dbraw/zinc/51/39/50/1223513950.db2.gz UAECNSBTFILKJU-YESZJQIVSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001208074167 1223514148 /nfs/dbraw/zinc/51/41/48/1223514148.db2.gz UAECNSBTFILKJU-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448112 1223546272 /nfs/dbraw/zinc/54/62/72/1223546272.db2.gz VTPUNRHWYBUPIP-HUUCEWRRSA-N 2 0 365.526 0.749 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208708484 1223571824 /nfs/dbraw/zinc/57/18/24/1223571824.db2.gz XOAXFCOJGXDZTG-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1n[nH]nc1C(=O)NC ZINC001208742560 1223574729 /nfs/dbraw/zinc/57/47/29/1223574729.db2.gz AGFYEDITFFIILW-LBPRGKRZSA-N 2 0 366.470 0.044 20 0 FCADRP CNC(=O)CN1CCO[C@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942468 1223586454 /nfs/dbraw/zinc/58/64/54/1223586454.db2.gz DOHRMGFKCOJRJJ-ZCNNSNEGSA-N 2 0 372.513 0.640 20 0 FCADRP COC[C@H](C(=O)OC)N1CC2(CCC1=O)CC[NH+](CCC[NH+](C)C)CC2 ZINC001276609595 1223593193 /nfs/dbraw/zinc/59/31/93/1223593193.db2.gz JYFYNWHVZPZTRL-MRXNPFEDSA-N 2 0 369.506 0.831 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@H+](CCC[NH+](C)C)CC2)C1=O ZINC001276611760 1223595864 /nfs/dbraw/zinc/59/58/64/1223595864.db2.gz WMSGDHGYICBNQL-QFBILLFUSA-N 2 0 369.506 0.831 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150202 1223601347 /nfs/dbraw/zinc/60/13/47/1223601347.db2.gz OAPGVVZBMMEIEG-KBAYOESNSA-N 2 0 371.522 0.179 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4cccnc34)C2)OCC1=O ZINC001276628835 1223605477 /nfs/dbraw/zinc/60/54/77/1223605477.db2.gz CDYXVIDJXICMNR-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)CC1 ZINC001276637181 1223614820 /nfs/dbraw/zinc/61/48/20/1223614820.db2.gz XKINOAKJYLOKDI-HXUWFJFHSA-N 2 0 364.534 0.727 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)C(C)C ZINC001209584897 1223632687 /nfs/dbraw/zinc/63/26/87/1223632687.db2.gz CPFFNYJGUCSNIL-ZACQAIPSSA-N 2 0 367.538 0.815 20 0 FCADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(Cc3c[nH+]ccc3N)C2)CC1 ZINC001209731619 1223644347 /nfs/dbraw/zinc/64/43/47/1223644347.db2.gz YFTVRZAHCGREQF-INIZCTEOSA-N 2 0 355.490 0.570 20 0 FCADRP C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829309 1223651661 /nfs/dbraw/zinc/65/16/61/1223651661.db2.gz BZWAICAIBMYMAP-RHSMWYFYSA-N 2 0 366.506 0.155 20 0 FCADRP Cc1ccnc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209836935 1223652857 /nfs/dbraw/zinc/65/28/57/1223652857.db2.gz SHKAHKHQTLGMPH-RHSMWYFYSA-N 2 0 361.490 0.832 20 0 FCADRP CCn1ccc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209835910 1223652999 /nfs/dbraw/zinc/65/29/99/1223652999.db2.gz FQPAUIJKHLBEIK-CRAIPNDOSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314630 1223682387 /nfs/dbraw/zinc/68/23/87/1223682387.db2.gz BVFQFMDGIPCRNY-RHSMWYFYSA-N 2 0 362.474 0.300 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001213151482 1223757695 /nfs/dbraw/zinc/75/76/95/1223757695.db2.gz PEPLJTCXRUQXGR-IAGOWNOFSA-N 2 0 359.430 0.733 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342074 1223788222 /nfs/dbraw/zinc/78/82/22/1223788222.db2.gz FVLLIPFOKGDBGI-IAGOWNOFSA-N 2 0 363.506 0.657 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)cn1 ZINC001213342467 1223788671 /nfs/dbraw/zinc/78/86/71/1223788671.db2.gz YVWRREFAHZWIQH-IAGOWNOFSA-N 2 0 363.506 0.603 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346612 1223788824 /nfs/dbraw/zinc/78/88/24/1223788824.db2.gz VIVSQDUOIFSCLR-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213376774 1223792291 /nfs/dbraw/zinc/79/22/91/1223792291.db2.gz HDMMLYLIQUVRAH-QZTJIDSGSA-N 2 0 365.474 0.841 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213456008 1223801106 /nfs/dbraw/zinc/80/11/06/1223801106.db2.gz ZEZXBTLNGPPPLA-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759364 1223845318 /nfs/dbraw/zinc/84/53/18/1223845318.db2.gz HSGMNNJFLMOUQI-DJIMGWMZSA-N 2 0 368.522 0.591 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930004 1223875082 /nfs/dbraw/zinc/87/50/82/1223875082.db2.gz VNKKJBDLJCTJQO-RCCFBDPRSA-N 2 0 371.522 0.728 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214338383 1223902237 /nfs/dbraw/zinc/90/22/37/1223902237.db2.gz PPELEIFXAFPWJE-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214634248 1223928255 /nfs/dbraw/zinc/92/82/55/1223928255.db2.gz GZORNXONRFZJTR-HZSPNIEDSA-N 2 0 367.494 0.271 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214847544 1223948152 /nfs/dbraw/zinc/94/81/52/1223948152.db2.gz IZYYHECNKKIHFT-OWCLPIDISA-N 2 0 366.506 0.202 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889131 1223952279 /nfs/dbraw/zinc/95/22/79/1223952279.db2.gz IDNZCLYKRAVBQI-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)NC1CC1 ZINC001214948750 1223958774 /nfs/dbraw/zinc/95/87/74/1223958774.db2.gz YUMYDCFEJNWZQY-BFYDXBDKSA-N 2 0 362.518 0.966 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001215000053 1223962504 /nfs/dbraw/zinc/96/25/04/1223962504.db2.gz WACRXCPOGIIGFC-BZUAXINKSA-N 2 0 370.538 0.694 20 0 FCADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001215227066 1223983986 /nfs/dbraw/zinc/98/39/86/1223983986.db2.gz XVWMKRRFGASCBY-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001215423200 1223999032 /nfs/dbraw/zinc/99/90/32/1223999032.db2.gz BHERACKRRIHVAS-ZIAGYGMSSA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1F ZINC001215459117 1224000491 /nfs/dbraw/zinc/00/04/91/1224000491.db2.gz YDUFYDXKKIAKEU-BFYDXBDKSA-N 2 0 367.465 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001215463346 1224000556 /nfs/dbraw/zinc/00/05/56/1224000556.db2.gz SLXIIMGSTBVYMZ-NVXWUHKLSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC001215463112 1224000794 /nfs/dbraw/zinc/00/07/94/1224000794.db2.gz ICLGAIDNGMJZFP-NZSAHSFTSA-N 2 0 363.502 0.952 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001215460953 1224000796 /nfs/dbraw/zinc/00/07/96/1224000796.db2.gz KPPCAZHFVAVFNZ-UKRRQHHQSA-N 2 0 367.494 0.143 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](CC)CC ZINC001215519010 1224003853 /nfs/dbraw/zinc/00/38/53/1224003853.db2.gz UOIMUVYJUGUDTQ-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557951 1224005860 /nfs/dbraw/zinc/00/58/60/1224005860.db2.gz GGJNVYKABVOZBU-JFIYKMOQSA-N 2 0 360.502 0.732 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1)[NH+]1CCCC1 ZINC001215599094 1224008950 /nfs/dbraw/zinc/00/89/50/1224008950.db2.gz QTJCNVSWTOWCHE-SOLBZPMBSA-N 2 0 363.506 0.858 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)C(C)C ZINC001215981760 1224028568 /nfs/dbraw/zinc/02/85/68/1224028568.db2.gz KEUYUEOZJLGLRG-ZACQAIPSSA-N 2 0 367.538 0.815 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216092051 1224034118 /nfs/dbraw/zinc/03/41/18/1224034118.db2.gz ZPMIATIOTQENNU-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216335208 1224045524 /nfs/dbraw/zinc/04/55/24/1224045524.db2.gz FTZCCFCUASFQSG-MDYRTPRTSA-N 2 0 360.502 0.988 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216348133 1224045968 /nfs/dbraw/zinc/04/59/68/1224045968.db2.gz HVAPLKOHZPLWMN-HUUCEWRRSA-N 2 0 369.510 0.520 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216402121 1224048528 /nfs/dbraw/zinc/04/85/28/1224048528.db2.gz TXEIXOARBFANOY-HUUCEWRRSA-N 2 0 371.526 0.099 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001216413692 1224049537 /nfs/dbraw/zinc/04/95/37/1224049537.db2.gz QAMHZZHFLCLUGR-DVOMOZLQSA-N 2 0 359.474 0.865 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216459399 1224052469 /nfs/dbraw/zinc/05/24/69/1224052469.db2.gz VNZKVPDNQDXQGQ-HUUCEWRRSA-N 2 0 367.494 0.097 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216464552 1224052681 /nfs/dbraw/zinc/05/26/81/1224052681.db2.gz QCGDKXRJSFVSDI-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001216490916 1224053252 /nfs/dbraw/zinc/05/32/52/1224053252.db2.gz VXHYQEYACZZQTP-HUUCEWRRSA-N 2 0 362.478 0.584 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216506611 1224053617 /nfs/dbraw/zinc/05/36/17/1224053617.db2.gz KKRYSZKUIQBQSQ-HUUCEWRRSA-N 2 0 367.494 0.097 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216753991 1224068457 /nfs/dbraw/zinc/06/84/57/1224068457.db2.gz CQWMKMHRPGWGGJ-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216752080 1224068630 /nfs/dbraw/zinc/06/86/30/1224068630.db2.gz GIVCKBMMKCIOJP-CKEIUWERSA-N 2 0 360.458 0.719 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001216757584 1224068900 /nfs/dbraw/zinc/06/89/00/1224068900.db2.gz DIOGWBLYFCJZBS-JFIYKMOQSA-N 2 0 365.474 0.689 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216851803 1224079023 /nfs/dbraw/zinc/07/90/23/1224079023.db2.gz ISGKFFJSAKUIAP-SOLBZPMBSA-N 2 0 371.522 0.320 20 0 FCADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000985435142 1248919446 /nfs/dbraw/zinc/91/94/46/1248919446.db2.gz ITSIYSDZCIAGJY-AEFFLSMTSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993436184 1249535802 /nfs/dbraw/zinc/53/58/02/1249535802.db2.gz GLFIATVKIAOHCQ-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000848932785 1245387371 /nfs/dbraw/zinc/38/73/71/1245387371.db2.gz VBXYZJAABLJVBN-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000848932786 1245387829 /nfs/dbraw/zinc/38/78/29/1245387829.db2.gz VBXYZJAABLJVBN-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849116983 1245392636 /nfs/dbraw/zinc/39/26/36/1245392636.db2.gz XQQNNKKMAPFPQM-KRWDZBQOSA-N 3 0 366.554 0.381 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000891465227 1245451103 /nfs/dbraw/zinc/45/11/03/1245451103.db2.gz RDTMERTUUOYKRM-FXAWDEMLSA-N 3 0 372.517 0.845 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538722 1245453223 /nfs/dbraw/zinc/45/32/23/1245453223.db2.gz SGIMWHCLOKBRFE-JJXSEGSLSA-N 2 0 365.478 0.437 20 0 FCADRP COCCC1(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000891577763 1245457165 /nfs/dbraw/zinc/45/71/65/1245457165.db2.gz YLJJPQZIIYQWBM-MRXNPFEDSA-N 2 0 368.522 0.945 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892410039 1245459731 /nfs/dbraw/zinc/45/97/31/1245459731.db2.gz FNADBBLWKVKFEA-KRWDZBQOSA-N 2 0 363.506 0.608 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000911516286 1245504392 /nfs/dbraw/zinc/50/43/92/1245504392.db2.gz ACJKTTZAWIKACD-CGTJXYLNSA-N 2 0 356.470 0.814 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517085 1245504738 /nfs/dbraw/zinc/50/47/38/1245504738.db2.gz GWZRXUNRJKOCRI-IAGOWNOFSA-N 2 0 362.474 0.202 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556045 1245513319 /nfs/dbraw/zinc/51/33/19/1245513319.db2.gz INSRHHINUPEWGR-JKSUJKDBSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911560034 1245515200 /nfs/dbraw/zinc/51/52/00/1245515200.db2.gz BLWSGAMBHHDJQS-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911565012 1245515363 /nfs/dbraw/zinc/51/53/63/1245515363.db2.gz YCUZJPMXAJZFPS-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282237 1245705332 /nfs/dbraw/zinc/70/53/32/1245705332.db2.gz UGRNZYXWFJBWOS-HOTGVXAUSA-N 2 0 365.474 0.612 20 0 FCADRP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280665 1245705953 /nfs/dbraw/zinc/70/59/53/1245705953.db2.gz CEDTVCWKJCSNCP-ROUUACIJSA-N 2 0 361.486 0.879 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923321513 1245708807 /nfs/dbraw/zinc/70/88/07/1245708807.db2.gz GPZAMPSBWJEWKM-ROUUACIJSA-N 2 0 366.506 0.792 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000923328066 1245709091 /nfs/dbraw/zinc/70/90/91/1245709091.db2.gz JNMAZPHEIUVDRE-FJIDUMEYSA-N 2 0 369.506 0.123 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923560578 1245729118 /nfs/dbraw/zinc/72/91/18/1245729118.db2.gz XVWMAEYVVICOLA-BQJUDKOJSA-N 2 0 355.482 0.752 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000940294796 1246266218 /nfs/dbraw/zinc/26/62/18/1246266218.db2.gz CIAYRLUIFWAHFG-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000941274083 1246536155 /nfs/dbraw/zinc/53/61/55/1246536155.db2.gz WBRZXCATSVKLJY-BZUAXINKSA-N 2 0 364.490 0.051 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942120698 1246987416 /nfs/dbraw/zinc/98/74/16/1246987416.db2.gz OSVOICVMWBYYEF-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943797606 1247416961 /nfs/dbraw/zinc/41/69/61/1247416961.db2.gz VXDUZKUKIZBJEU-DJIMGWMZSA-N 2 0 371.441 0.242 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)CC[N@@H+]1C ZINC000944615171 1247577828 /nfs/dbraw/zinc/57/78/28/1247577828.db2.gz GHRJTBUBCZFJKO-HYVNUMGLSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COCc2ccccc21 ZINC001327820995 1265435204 /nfs/dbraw/zinc/43/52/04/1265435204.db2.gz RJIDMTDWXRKDJC-KRWDZBQOSA-N 2 0 362.474 0.326 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC001327830390 1265438034 /nfs/dbraw/zinc/43/80/34/1265438034.db2.gz QNJSUYNOJSOVGY-IXDOHACOSA-N 2 0 362.478 0.110 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839682 1265440669 /nfs/dbraw/zinc/44/06/69/1265440669.db2.gz KDBALZWVFJHKTQ-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000974875166 1248158341 /nfs/dbraw/zinc/15/83/41/1248158341.db2.gz SSHGIZSFZUTGJO-QXDIGNSFSA-N 2 0 362.518 0.870 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976595509 1248269399 /nfs/dbraw/zinc/26/93/99/1248269399.db2.gz LXMZUOYOGDWGOZ-ZXLDYLNASA-N 2 0 362.518 0.774 20 0 FCADRP Cn1cncc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000976921647 1248469816 /nfs/dbraw/zinc/46/98/16/1248469816.db2.gz MXTJVYXDMRUAGB-BRWVUGGUSA-N 2 0 361.490 0.991 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000977048841 1248529621 /nfs/dbraw/zinc/52/96/21/1248529621.db2.gz BRVJSGPOUVRLHM-RXYDEIHYSA-N 2 0 362.518 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000994847058 1250711874 /nfs/dbraw/zinc/71/18/74/1250711874.db2.gz JTTGSPTYUWRXTN-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498351 1265517438 /nfs/dbraw/zinc/51/74/38/1265517438.db2.gz YSEDNCXRHRTLHH-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncn1C ZINC000998467793 1251890584 /nfs/dbraw/zinc/89/05/84/1251890584.db2.gz XLOKMVKTIPHDSD-KBMXLJTQSA-N 2 0 356.430 0.416 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC000998567127 1251914060 /nfs/dbraw/zinc/91/40/60/1251914060.db2.gz QLRHWEIAVXHHQW-NCOADZHNSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC000998797423 1251968655 /nfs/dbraw/zinc/96/86/55/1251968655.db2.gz UBEKNNKKVVNPBX-BLYZHGLHSA-N 2 0 370.448 0.962 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC001002236229 1252483682 /nfs/dbraw/zinc/48/36/82/1252483682.db2.gz RWWSRORJYCQHTE-UKRRQHHQSA-N 2 0 359.474 0.676 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC001002258755 1252492552 /nfs/dbraw/zinc/49/25/52/1252492552.db2.gz REIHCGWHLUMMME-OKZBNKHCSA-N 2 0 362.518 0.633 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001329052856 1265682521 /nfs/dbraw/zinc/68/25/21/1265682521.db2.gz DBTRRUXXAGWEMZ-UHFFFAOYSA-N 2 0 363.506 0.551 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001034649688 1253997738 /nfs/dbraw/zinc/99/77/38/1253997738.db2.gz PHUIAPUQIYWBNN-RFBLXINOSA-N 2 0 364.490 0.539 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+](CC)CC)CC[N@@H+]1C ZINC001061605261 1254189073 /nfs/dbraw/zinc/18/90/73/1254189073.db2.gz RGFYSUXUAPCUEQ-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061620781 1254193271 /nfs/dbraw/zinc/19/32/71/1254193271.db2.gz GZGQPXLVQYFFFH-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001520192818 1265872950 /nfs/dbraw/zinc/87/29/50/1265872950.db2.gz SSTNWSVGMOJJAO-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001066218208 1254607385 /nfs/dbraw/zinc/60/73/85/1254607385.db2.gz BKPLHSQRDANUOX-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1)[NH+](C)C ZINC001520267710 1265893621 /nfs/dbraw/zinc/89/36/21/1265893621.db2.gz WIPGGBQKVMYQHZ-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001077571937 1254710622 /nfs/dbraw/zinc/71/06/22/1254710622.db2.gz YZXMFHHCSLTNFP-UKNAQKAOSA-N 2 0 361.486 0.612 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CCC1 ZINC001077582642 1254733501 /nfs/dbraw/zinc/73/35/01/1254733501.db2.gz NNNXXQBOXVJSNM-ZACQAIPSSA-N 2 0 365.474 0.931 20 0 FCADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612533 1254776103 /nfs/dbraw/zinc/77/61/03/1254776103.db2.gz KRURUASALQNWDN-IEBWSBKVSA-N 2 0 360.502 0.756 20 0 FCADRP O=C1NC2(CO1)CC[NH+](C/C=C/C[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC001329987039 1265915359 /nfs/dbraw/zinc/91/53/59/1265915359.db2.gz GZOLGNGSAWRYNV-OWOJBTEDSA-N 2 0 364.446 0.691 20 0 FCADRP O=C1NC2(CO1)CC[NH+](C/C=C\C[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC001329987040 1265915380 /nfs/dbraw/zinc/91/53/80/1265915380.db2.gz GZOLGNGSAWRYNV-UPHRSURJSA-N 2 0 364.446 0.691 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077778588 1254981260 /nfs/dbraw/zinc/98/12/60/1254981260.db2.gz RQHFQBXRAFDDBU-CEXWTWQISA-N 2 0 367.534 0.821 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176054 1255290638 /nfs/dbraw/zinc/29/06/38/1255290638.db2.gz YTMQKYQKOFJKMC-KZNAEPCWSA-N 2 0 359.470 0.277 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222984 1255336094 /nfs/dbraw/zinc/33/60/94/1255336094.db2.gz ZUASXZCSNDZDPI-BHIYHBOVSA-N 2 0 361.486 0.950 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079149683 1255460844 /nfs/dbraw/zinc/46/08/44/1255460844.db2.gz FUQDCPHHEGDMQB-GVDBMIGSSA-N 2 0 362.449 0.679 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079162380 1255462611 /nfs/dbraw/zinc/46/26/11/1255462611.db2.gz JAZVFHKZDUYFHY-BHYGNILZSA-N 2 0 362.449 0.537 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079198570 1255470794 /nfs/dbraw/zinc/47/07/94/1255470794.db2.gz HFIWONSEEZXWAH-XOKHGSTOSA-N 2 0 362.449 0.537 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245594 1255485737 /nfs/dbraw/zinc/48/57/37/1255485737.db2.gz BDNODXNIZWUUNC-RYQLBKOJSA-N 2 0 365.518 0.791 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001079299108 1255503510 /nfs/dbraw/zinc/50/35/10/1255503510.db2.gz XUNQZGLXABEAMX-GOEBONIOSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037436 1255719794 /nfs/dbraw/zinc/71/97/94/1255719794.db2.gz KXUQSOFWFVGUQX-OWCLPIDISA-N 2 0 358.490 0.830 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080136339 1255755407 /nfs/dbraw/zinc/75/54/07/1255755407.db2.gz NDGDGWUKRFFHFR-ZTFGCOKTSA-N 2 0 368.441 0.642 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593280 1255945821 /nfs/dbraw/zinc/94/58/21/1255945821.db2.gz SGYGGESGSDRFFN-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001081167996 1256196808 /nfs/dbraw/zinc/19/68/08/1256196808.db2.gz BTBQVHMVJCZKOQ-LEUOFYLZSA-N 2 0 358.486 0.786 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081227087 1256211906 /nfs/dbraw/zinc/21/19/06/1256211906.db2.gz POBQITAWFHWSSS-RBUKOAKNSA-N 2 0 368.485 0.995 20 0 FCADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081682176 1256332712 /nfs/dbraw/zinc/33/27/12/1256332712.db2.gz IMUKOACUZRZBFW-TVFCKZIOSA-N 2 0 369.506 0.195 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081682437 1256332930 /nfs/dbraw/zinc/33/29/30/1256332930.db2.gz LEDXFRTWLLTSLP-MKXGPGLRSA-N 2 0 365.518 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095635 1256533120 /nfs/dbraw/zinc/53/31/20/1256533120.db2.gz AIUATBZTNARYMT-GUDVDZBRSA-N 2 0 361.486 0.877 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133816 1256549711 /nfs/dbraw/zinc/54/97/11/1256549711.db2.gz RBNMJSZPCXVEOV-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1)OC ZINC001082223371 1256596858 /nfs/dbraw/zinc/59/68/58/1256596858.db2.gz SDGBWLZWBFMCBX-GVDBMIGSSA-N 2 0 367.494 0.299 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001330527385 1266051197 /nfs/dbraw/zinc/05/11/97/1266051197.db2.gz FQONXKZXSLNKHN-SFHVURJKSA-N 2 0 374.485 0.174 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082511945 1256796877 /nfs/dbraw/zinc/79/68/77/1256796877.db2.gz ABVJRJMHYKGBLW-QLFBSQMISA-N 2 0 364.490 0.493 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082557128 1256852792 /nfs/dbraw/zinc/85/27/92/1256852792.db2.gz PRNJBYNLPQGXGU-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082558336 1256856686 /nfs/dbraw/zinc/85/66/86/1256856686.db2.gz KZRHEHHBNSLDDA-RBSFLKMASA-N 2 0 364.494 0.308 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653467 1256957818 /nfs/dbraw/zinc/95/78/18/1256957818.db2.gz LZUCBKYKYQFAGK-MESWHDRRSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082653372 1256958114 /nfs/dbraw/zinc/95/81/14/1256958114.db2.gz HWKNJUIURWOZBW-LGFHUAIBSA-N 2 0 356.470 0.881 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082699580 1256991492 /nfs/dbraw/zinc/99/14/92/1256991492.db2.gz IBPFSIHNDDIRDP-QLFBSQMISA-N 2 0 364.494 0.167 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)cc1=O ZINC001082742522 1257023811 /nfs/dbraw/zinc/02/38/11/1257023811.db2.gz IQCRECABPNUGQX-SQWLQELKSA-N 2 0 363.458 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082798512 1257057624 /nfs/dbraw/zinc/05/76/24/1257057624.db2.gz YFEYOTNDJQDGIQ-RHSMWYFYSA-N 2 0 359.478 0.429 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082863456 1257113638 /nfs/dbraw/zinc/11/36/38/1257113638.db2.gz DEZCXMUBWFXNFI-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082920167 1257145647 /nfs/dbraw/zinc/14/56/47/1257145647.db2.gz SYKZZUQLHHTSBS-UKPHBRMFSA-N 2 0 356.474 0.857 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082921058 1257145841 /nfs/dbraw/zinc/14/58/41/1257145841.db2.gz SKGYQSIQLZDLGO-IVMMDQJWSA-N 2 0 359.474 0.948 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)n1 ZINC001083469532 1257461476 /nfs/dbraw/zinc/46/14/76/1257461476.db2.gz WVHUYKNLSLNPNE-MOPGFXCFSA-N 2 0 371.485 0.462 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054080 1257866562 /nfs/dbraw/zinc/86/65/62/1257866562.db2.gz VSXABJUPTAJLRY-LZQZEXGQSA-N 2 0 359.470 0.372 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)c1 ZINC001084088205 1257913279 /nfs/dbraw/zinc/91/32/79/1257913279.db2.gz WBNAYTSRNORBNM-MOPGFXCFSA-N 2 0 361.486 0.950 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185082 1266165660 /nfs/dbraw/zinc/16/56/60/1266165660.db2.gz OCVRVXCAJOYDJS-FGTMMUONSA-N 2 0 373.501 0.748 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084608712 1258196505 /nfs/dbraw/zinc/19/65/05/1258196505.db2.gz IBXZLWKEUBCRHW-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001084631056 1258210355 /nfs/dbraw/zinc/21/03/55/1258210355.db2.gz AEWSDKPKMTTYBN-KZNAEPCWSA-N 2 0 361.490 0.119 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001084630685 1258210652 /nfs/dbraw/zinc/21/06/52/1258210652.db2.gz QFPVDEGTDAAQOC-IXDOHACOSA-N 2 0 358.490 0.640 20 0 FCADRP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197308 1266169135 /nfs/dbraw/zinc/16/91/35/1266169135.db2.gz PLRQVAVGFJXYJO-MVJTYMMSSA-N 2 0 358.486 0.961 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905952 1258429251 /nfs/dbraw/zinc/42/92/51/1258429251.db2.gz UYSNTZONHCEHDN-OAGGEKHMSA-N 2 0 362.474 0.152 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21)NC1CC1 ZINC001084941355 1258454186 /nfs/dbraw/zinc/45/41/86/1258454186.db2.gz CXCBACRXOHTOKL-NXHRZFHOSA-N 2 0 360.502 0.530 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957607 1258469206 /nfs/dbraw/zinc/46/92/06/1258469206.db2.gz KEUHLDHIHUPROF-KURKYZTESA-N 2 0 364.534 0.975 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)N1CCCC1 ZINC001085076308 1258571803 /nfs/dbraw/zinc/57/18/03/1258571803.db2.gz ZEHFOWKCUPXFLO-SJORKVTESA-N 2 0 360.502 0.627 20 0 FCADRP O=C(N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076144 1258572295 /nfs/dbraw/zinc/57/22/95/1258572295.db2.gz MPQRVHNVLLBWTF-IKGGRYGDSA-N 2 0 370.501 0.784 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)cn2)CC1 ZINC001331363127 1266199992 /nfs/dbraw/zinc/19/99/92/1266199992.db2.gz PSSJTKQLSWMMIK-IRXDYDNUSA-N 2 0 358.490 0.869 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC001331374140 1266202108 /nfs/dbraw/zinc/20/21/08/1266202108.db2.gz HZJDNCLJHVIWTA-CQSZACIVSA-N 2 0 355.446 0.949 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170454 1258688772 /nfs/dbraw/zinc/68/87/72/1258688772.db2.gz RZFFGZJFLGHMED-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088173181 1258691989 /nfs/dbraw/zinc/69/19/89/1258691989.db2.gz VYZZXWDMQZFVFZ-CABCVRRESA-N 2 0 371.485 0.820 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172906 1258692059 /nfs/dbraw/zinc/69/20/59/1258692059.db2.gz JRNATSNATJRESD-ZNMIVQPWSA-N 2 0 359.474 0.676 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172809 1258694306 /nfs/dbraw/zinc/69/43/06/1258694306.db2.gz FZWOYCOBPLQQFT-YCPHGPKFSA-N 2 0 359.474 0.805 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199508 1258719509 /nfs/dbraw/zinc/71/95/09/1258719509.db2.gz QUGZNIFXCNHXPB-SQNIBIBYSA-N 2 0 362.518 0.731 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)cc1=O ZINC001088200899 1258722712 /nfs/dbraw/zinc/72/27/12/1258722712.db2.gz AMBNSFKIMLCHSG-MSOLQXFVSA-N 2 0 358.486 0.761 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088201693 1258724741 /nfs/dbraw/zinc/72/47/41/1258724741.db2.gz PPPIZQGREAAHAP-SQNIBIBYSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1)NC1CC1 ZINC001088211592 1258734257 /nfs/dbraw/zinc/73/42/57/1258734257.db2.gz REAZREYPWRFUTA-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088211563 1258734390 /nfs/dbraw/zinc/73/43/90/1258734390.db2.gz PWYZVLMFMYTHJQ-FGTMMUONSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817000 1258854353 /nfs/dbraw/zinc/85/43/53/1258854353.db2.gz KGVOODIULRQYND-HZSPNIEDSA-N 2 0 356.430 0.439 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001092817280 1258854757 /nfs/dbraw/zinc/85/47/57/1258854757.db2.gz RWLWGJFJYFBPBL-CPUCHLNUSA-N 2 0 368.441 0.454 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)ccc1N1CC[NH+](C)CC1 ZINC001331434464 1266215753 /nfs/dbraw/zinc/21/57/53/1266215753.db2.gz ZZGQHYOMNRGESS-MRXNPFEDSA-N 2 0 373.501 0.944 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001100344809 1258908331 /nfs/dbraw/zinc/90/83/31/1258908331.db2.gz GPODCCOWTFOYBR-SJJHQCBESA-N 2 0 367.538 0.909 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001100343755 1258908837 /nfs/dbraw/zinc/90/88/37/1258908837.db2.gz RFUJLSLHJKAKLB-XSCHDIRWSA-N 2 0 363.462 0.746 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105662634 1258923120 /nfs/dbraw/zinc/92/31/20/1258923120.db2.gz POOHHOXYAPHJAD-OHDICMOHSA-N 2 0 368.522 0.040 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106588068 1258925993 /nfs/dbraw/zinc/92/59/93/1258925993.db2.gz CENPLXPOSRBLRQ-GDBMZVCRSA-N 2 0 362.474 0.871 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)[NH+](CC)CC ZINC001106660127 1258934998 /nfs/dbraw/zinc/93/49/98/1258934998.db2.gz BYJYUMWISBPUET-KFWWJZLASA-N 2 0 366.510 0.413 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001106672385 1258938622 /nfs/dbraw/zinc/93/86/22/1258938622.db2.gz SJNWCLRIXQMZKE-SOLBZPMBSA-N 2 0 360.502 0.719 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1)[NH+](C)C ZINC001106673827 1258939350 /nfs/dbraw/zinc/93/93/50/1258939350.db2.gz NDHXZQHCMRBMBU-INMHGKMJSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106730847 1258949138 /nfs/dbraw/zinc/94/91/38/1258949138.db2.gz SFBBJRQXLJWFFD-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874868 1258985469 /nfs/dbraw/zinc/98/54/69/1258985469.db2.gz VZSAKTOKIPRZAA-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106878601 1258986694 /nfs/dbraw/zinc/98/66/94/1258986694.db2.gz UCJVWXPDZUSJIU-HUUCEWRRSA-N 2 0 366.510 0.690 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001106881233 1258986740 /nfs/dbraw/zinc/98/67/40/1258986740.db2.gz ZYZBOLPUBFCMHB-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106881367 1258987637 /nfs/dbraw/zinc/98/76/37/1258987637.db2.gz CQNXSIAHSJBBDH-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106909091 1258994124 /nfs/dbraw/zinc/99/41/24/1258994124.db2.gz DSEPJVNHUSSVHK-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)no1 ZINC001106983793 1259010431 /nfs/dbraw/zinc/01/04/31/1259010431.db2.gz JUIPOKIZNXFHBJ-UKRRQHHQSA-N 2 0 363.462 0.701 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001107031173 1259021792 /nfs/dbraw/zinc/02/17/92/1259021792.db2.gz LDJNXXXGONRNGY-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409500 1259078572 /nfs/dbraw/zinc/07/85/72/1259078572.db2.gz VMLPMDIHSLIVPD-MBOZVWFJSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)CC1 ZINC001107521254 1259106962 /nfs/dbraw/zinc/10/69/62/1259106962.db2.gz UJEMKDPKVSAVHU-SJLPKXTDSA-N 2 0 360.506 0.981 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530708 1259109357 /nfs/dbraw/zinc/10/93/57/1259109357.db2.gz HTJPNDXMFARECR-VQIMIIECSA-N 2 0 368.522 0.452 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(=O)NC)CC2 ZINC001107615237 1259133434 /nfs/dbraw/zinc/13/34/34/1259133434.db2.gz ZIUYKDWTGSHTMX-RDTXWAMCSA-N 2 0 367.494 0.145 20 0 FCADRP Cc1nc[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107621011 1259135495 /nfs/dbraw/zinc/13/54/95/1259135495.db2.gz HARBQRLPBREBBI-SJLPKXTDSA-N 2 0 357.462 0.913 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403611 1259158165 /nfs/dbraw/zinc/15/81/65/1259158165.db2.gz PREGOTJMVYGCON-IKGGRYGDSA-N 2 0 366.506 0.345 20 0 FCADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1cnccn1 ZINC001127571160 1259181519 /nfs/dbraw/zinc/18/15/19/1259181519.db2.gz MOPVKUFPUHIGOS-KYJSFNMBSA-N 2 0 361.490 0.990 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129032327 1259294593 /nfs/dbraw/zinc/29/45/93/1259294593.db2.gz NHWSRWLYIOQJQA-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1)OC ZINC001129049219 1259298647 /nfs/dbraw/zinc/29/86/47/1259298647.db2.gz SGCOGHTVAAGLCC-XHSDSOJGSA-N 2 0 364.494 0.529 20 0 FCADRP CC1(C)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001331595981 1266246495 /nfs/dbraw/zinc/24/64/95/1266246495.db2.gz GJOUMBFEGULVKU-INIZCTEOSA-N 2 0 359.474 0.625 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129220213 1259347566 /nfs/dbraw/zinc/34/75/66/1259347566.db2.gz REHFBOOGDKFRGB-MSOLQXFVSA-N 2 0 356.474 0.814 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653781 1266258248 /nfs/dbraw/zinc/25/82/48/1266258248.db2.gz UTVUDXOFAQTPLU-VDHUWJSZSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653777 1266258574 /nfs/dbraw/zinc/25/85/74/1266258574.db2.gz UTVUDXOFAQTPLU-NRSFXHEJSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001200536249 1259416266 /nfs/dbraw/zinc/41/62/66/1259416266.db2.gz CCEZWYQZBSVGHU-DJIMGWMZSA-N 2 0 366.506 0.060 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293314 1259455465 /nfs/dbraw/zinc/45/54/65/1259455465.db2.gz FSRCRQCHPLDKCI-GUDVDZBRSA-N 2 0 365.518 0.960 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccc(N)n1)CC2 ZINC001233369902 1259548746 /nfs/dbraw/zinc/54/87/46/1259548746.db2.gz HTVJZWIPVKWWDG-UHFFFAOYSA-N 2 0 360.506 0.334 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCO[C@@H]4CC[NH2+]C[C@@H]43)cnc12 ZINC001235006990 1259565722 /nfs/dbraw/zinc/56/57/22/1259565722.db2.gz RALFNBZOPOVTEI-ZWKOTPCHSA-N 2 0 356.474 0.759 20 0 FCADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235455785 1259572682 /nfs/dbraw/zinc/57/26/82/1259572682.db2.gz YQJGXXXDRTUOKA-LJQANCHMSA-N 2 0 374.489 0.595 20 0 FCADRP C[C@H]([NH3+])CN1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001235490334 1259574856 /nfs/dbraw/zinc/57/48/56/1259574856.db2.gz MAKPXCAAJKZTDI-JXFKEZNVSA-N 2 0 357.502 0.833 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001235618797 1259580442 /nfs/dbraw/zinc/58/04/42/1259580442.db2.gz RZHDDJZCYYUKQM-UHFFFAOYSA-N 2 0 362.478 0.493 20 0 FCADRP Cc1nnn(-c2ccc(F)cc2)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235875593 1259584299 /nfs/dbraw/zinc/58/42/99/1259584299.db2.gz RCICVKXLZDZLGR-UHFFFAOYSA-N 2 0 361.469 0.299 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)nc1 ZINC001236025984 1259586637 /nfs/dbraw/zinc/58/66/37/1259586637.db2.gz GULSODPMDUPKTR-DEWZPKMOSA-N 2 0 359.426 0.699 20 0 FCADRP COC(=O)c1ccnc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)c1 ZINC001236028988 1259587621 /nfs/dbraw/zinc/58/76/21/1259587621.db2.gz WMVBPFSIAAXYMY-DEWZPKMOSA-N 2 0 359.426 0.699 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001237066635 1259595377 /nfs/dbraw/zinc/59/53/77/1259595377.db2.gz YXJAHLQVBZPFGW-AZUAARDMSA-N 2 0 358.486 0.823 20 0 FCADRP Cc1ncncc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001238162878 1259619067 /nfs/dbraw/zinc/61/90/67/1259619067.db2.gz CQUIYTPBXUNRJS-UHFFFAOYSA-N 2 0 361.490 0.788 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001335352296 1259621229 /nfs/dbraw/zinc/62/12/29/1259621229.db2.gz RZADFBAPYVODKP-HOTGVXAUSA-N 2 0 374.485 0.259 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3cccnc3OC3C[NH2+]C3)cc2)CC1 ZINC001242101135 1259633812 /nfs/dbraw/zinc/63/38/12/1259633812.db2.gz MUWKYHJEKYYJKG-UHFFFAOYSA-N 2 0 367.453 0.991 20 0 FCADRP O[C@@]1(CNc2ncc(Br)nc2N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001245955787 1259642176 /nfs/dbraw/zinc/64/21/76/1259642176.db2.gz FWFBBASNHFNQMB-AWEZNQCLSA-N 2 0 371.283 0.175 20 0 FCADRP COc1cccc(C2(NC[C@@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001246009182 1259644656 /nfs/dbraw/zinc/64/46/56/1259644656.db2.gz SWFOQXFFDVSGIP-KRWDZBQOSA-N 2 0 363.502 0.729 20 0 FCADRP O[C@H](C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036360 1259646380 /nfs/dbraw/zinc/64/63/80/1259646380.db2.gz QHIOKGFWIISLAW-ZCNNSNEGSA-N 2 0 359.514 0.931 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)COCc3ccco3)C[C@H]1C2 ZINC001246048231 1259646969 /nfs/dbraw/zinc/64/69/69/1259646969.db2.gz WAVLOLFZYUPYIJ-IIZUFCTNSA-N 2 0 364.442 0.488 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246070494 1259648508 /nfs/dbraw/zinc/64/85/08/1259648508.db2.gz OBAAPAKEEMJIQB-NZSAHSFTSA-N 3 0 368.472 0.693 20 0 FCADRP COc1ccc(CN2C[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)C3(CC3)C2=O)cc1 ZINC001246372906 1259651960 /nfs/dbraw/zinc/65/19/60/1259651960.db2.gz OOROIHSNOJKMTM-FUHWJXTLSA-N 2 0 370.497 0.870 20 0 FCADRP O=C(c1cnccn1)N1CCC2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246696348 1259661657 /nfs/dbraw/zinc/66/16/57/1259661657.db2.gz RKNXZIUHGTYMJQ-INIZCTEOSA-N 2 0 370.501 0.499 20 0 FCADRP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246712146 1259665224 /nfs/dbraw/zinc/66/52/24/1259665224.db2.gz FBFZLCUGTNZIQL-INDMIFKZSA-N 2 0 365.518 0.755 20 0 FCADRP O=C1CCCN1C[C@H]1Cn2ccnc2C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711748 1259665681 /nfs/dbraw/zinc/66/56/81/1259665681.db2.gz WYFGJFAWRHXFAP-CVEARBPZSA-N 2 0 358.490 0.031 20 0 FCADRP Fc1cccnc1OC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246720910 1259668984 /nfs/dbraw/zinc/66/89/84/1259668984.db2.gz CQVHOXZHUFXYCC-RKVPGOIHSA-N 2 0 362.449 0.642 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246729864 1259670075 /nfs/dbraw/zinc/67/00/75/1259670075.db2.gz PWTLUTDLGKNUBY-UONOGXRCSA-N 2 0 358.490 0.420 20 0 FCADRP c1cnn(C[C@H]2CC[C@]3(COCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726763 1259670196 /nfs/dbraw/zinc/67/01/96/1259670196.db2.gz TZFZNDSWBGJADR-LMMKCTJWSA-N 2 0 361.490 0.227 20 0 FCADRP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246727160 1259670707 /nfs/dbraw/zinc/67/07/07/1259670707.db2.gz UUJJDJKZWJIQKK-FRQCXROJSA-N 2 0 365.522 0.365 20 0 FCADRP O=C(c1cnccn1)N1CCC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246731803 1259672650 /nfs/dbraw/zinc/67/26/50/1259672650.db2.gz CJCWNSOIJGGDLO-INIZCTEOSA-N 2 0 370.501 0.499 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740568 1259675241 /nfs/dbraw/zinc/67/52/41/1259675241.db2.gz MTPOFOZSARAIMT-PEJOBZMASA-N 2 0 359.474 0.684 20 0 FCADRP O=C(NC1CCCC1)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246745706 1259678569 /nfs/dbraw/zinc/67/85/69/1259678569.db2.gz FZUUHABTXFMRLJ-AWEZNQCLSA-N 2 0 358.490 0.468 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752304 1259679298 /nfs/dbraw/zinc/67/92/98/1259679298.db2.gz ZCXZIUDIEKZDQS-UYAOXDASSA-N 2 0 369.513 0.990 20 0 FCADRP O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765384 1259683732 /nfs/dbraw/zinc/68/37/32/1259683732.db2.gz JMQLBAYIUXWIOH-QAPCUYQASA-N 2 0 356.474 0.390 20 0 FCADRP O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765386 1259685205 /nfs/dbraw/zinc/68/52/05/1259685205.db2.gz JMQLBAYIUXWIOH-YJBOKZPZSA-N 2 0 356.474 0.390 20 0 FCADRP c1ccc(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246767359 1259685656 /nfs/dbraw/zinc/68/56/56/1259685656.db2.gz NYOCKGRVMQDBPF-BMFAXAFESA-N 2 0 357.502 0.749 20 0 FCADRP CCOC[C@H]1C(=O)N(CC)CC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767814 1259685755 /nfs/dbraw/zinc/68/57/55/1259685755.db2.gz NQZCPUABAXGYKO-IRXDYDNUSA-N 2 0 364.534 0.677 20 0 FCADRP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246785964 1259689507 /nfs/dbraw/zinc/68/95/07/1259689507.db2.gz BOCCRSAJEQDMQL-ABSDTBQOSA-N 2 0 364.534 0.866 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246855963 1259693626 /nfs/dbraw/zinc/69/36/26/1259693626.db2.gz CYBLXWLZRLFMDY-MSWPAXRKSA-N 2 0 365.474 0.001 20 0 FCADRP C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001335530817 1259701175 /nfs/dbraw/zinc/70/11/75/1259701175.db2.gz WQXOJKHZDHFXTE-FUHWJXTLSA-N 2 0 362.522 0.543 20 0 FCADRP O=C1NC[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C12CC[NH2+]CC2 ZINC001247656472 1259705925 /nfs/dbraw/zinc/70/59/25/1259705925.db2.gz FWQVODGMZNBIOQ-LBPRGKRZSA-N 2 0 354.414 0.361 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@]45C[NH2+]C[C@H]4CCN5)n3)c2)CC1 ZINC001247833911 1259706155 /nfs/dbraw/zinc/70/61/55/1259706155.db2.gz SIKRPTFKGPTBHJ-BEFAXECRSA-N 2 0 354.458 0.896 20 0 FCADRP COc1nc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1-n1cnc(C)c1 ZINC001247834962 1259707026 /nfs/dbraw/zinc/70/70/26/1259707026.db2.gz LJWZWHFFNNPZRS-GFCCVEGCSA-N 2 0 367.413 0.911 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@@]34C[NH2+]C[C@@H]3CCN4)n2)CC1 ZINC001247835352 1259707343 /nfs/dbraw/zinc/70/73/43/1259707343.db2.gz JJEBUSVVTKHIHB-IFXJQAMLSA-N 2 0 354.458 0.896 20 0 FCADRP C[C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1CC[NH3+] ZINC001335554480 1259712794 /nfs/dbraw/zinc/71/27/94/1259712794.db2.gz MWWSSLJDULDQQA-RDBSUJKOSA-N 2 0 365.444 0.981 20 0 FCADRP CN(C)C1(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001251443444 1259747401 /nfs/dbraw/zinc/74/74/01/1259747401.db2.gz ULWNOZPPTFJSAB-IBGZPJMESA-N 2 0 370.538 0.974 20 0 FCADRP COC(=O)C1(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001252947284 1259812084 /nfs/dbraw/zinc/81/20/84/1259812084.db2.gz BILBFKNBVRZSFE-IBGZPJMESA-N 2 0 361.486 0.850 20 0 FCADRP COCC(=O)N[C@@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252934552 1259813035 /nfs/dbraw/zinc/81/30/35/1259813035.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 0 361.486 0.850 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)CC[NH2+]CC2 ZINC001335811263 1259851557 /nfs/dbraw/zinc/85/15/57/1259851557.db2.gz QABJWJGSXVJHTG-CQSZACIVSA-N 2 0 359.474 0.754 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)CC[NH2+]CC2 ZINC001335811261 1259851703 /nfs/dbraw/zinc/85/17/03/1259851703.db2.gz QABJWJGSXVJHTG-AWEZNQCLSA-N 2 0 359.474 0.754 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001335821410 1259856618 /nfs/dbraw/zinc/85/66/18/1259856618.db2.gz XSCSBQLFGKOMIE-ZWKOTPCHSA-N 2 0 353.507 0.575 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001335840150 1259863714 /nfs/dbraw/zinc/86/37/14/1259863714.db2.gz ZROQCNGLVLRKGA-AEFFLSMTSA-N 2 0 352.523 0.175 20 0 FCADRP O=C(CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC001254029733 1259868684 /nfs/dbraw/zinc/86/86/84/1259868684.db2.gz MDDICEBOCNGXRE-UHFFFAOYSA-N 2 0 361.486 0.852 20 0 FCADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517508 1259887641 /nfs/dbraw/zinc/88/76/41/1259887641.db2.gz HSYNOGKRUNXTHZ-BGTYHANMSA-N 2 0 359.474 0.923 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[NH+](C)CC1)CC2 ZINC001254523657 1259889901 /nfs/dbraw/zinc/88/99/01/1259889901.db2.gz UYDQUFOILBQYJA-QGZVFWFLSA-N 2 0 360.502 0.821 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001255434545 1259913670 /nfs/dbraw/zinc/91/36/70/1259913670.db2.gz RYHSWCPJXSTFAW-UHFFFAOYSA-N 2 0 361.490 0.705 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335987024 1259931758 /nfs/dbraw/zinc/93/17/58/1259931758.db2.gz RKNLYVIZDWRZCZ-LZZBAHKZSA-N 2 0 351.495 0.498 20 0 FCADRP Cc1cn([C@H]2C[C@H]([NH2+]C3CCN(C4CC4)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001256072805 1259932546 /nfs/dbraw/zinc/93/25/46/1259932546.db2.gz XTVFEQREJJEUBV-ARFHVFGLSA-N 2 0 364.446 0.122 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001257150189 1259999408 /nfs/dbraw/zinc/99/94/08/1259999408.db2.gz JQBSKWNLGDTLSO-RDJZCZTQSA-N 2 0 366.506 0.035 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001257150188 1259999454 /nfs/dbraw/zinc/99/94/54/1259999454.db2.gz JQBSKWNLGDTLSO-NVXWUHKLSA-N 2 0 366.506 0.035 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001336193323 1260036065 /nfs/dbraw/zinc/03/60/65/1260036065.db2.gz QIKKKJHPUOMPOM-UHFFFAOYSA-N 2 0 367.538 0.600 20 0 FCADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001258902881 1260057297 /nfs/dbraw/zinc/05/72/97/1260057297.db2.gz IFADLYBWKYTMJI-OAHLLOKOSA-N 2 0 367.494 0.474 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001261383560 1260130697 /nfs/dbraw/zinc/13/06/97/1260130697.db2.gz OZAGDEPWPXWFRL-SFHVURJKSA-N 2 0 358.486 0.898 20 0 FCADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001336798415 1260225439 /nfs/dbraw/zinc/22/54/39/1260225439.db2.gz GMEPUCVCXUTQLB-MRXNPFEDSA-N 2 0 354.495 0.651 20 0 FCADRP CO[C@H]1COCC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336893024 1260247613 /nfs/dbraw/zinc/24/76/13/1260247613.db2.gz DIWUEIMLIAXYPL-BGTYHANMSA-N 2 0 366.506 0.648 20 0 FCADRP [NH3+]C1(CNC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCOCC1 ZINC001336935283 1260259555 /nfs/dbraw/zinc/25/95/55/1260259555.db2.gz RRTWGXMYNHKVQT-UHFFFAOYSA-N 2 0 361.490 0.399 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)C2 ZINC001336949680 1260264438 /nfs/dbraw/zinc/26/44/38/1260264438.db2.gz CKHQWUARCJQHRN-DSICWQNTSA-N 2 0 365.522 0.352 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001336949474 1260265146 /nfs/dbraw/zinc/26/51/46/1260265146.db2.gz ACGSBTIIHHVGHP-IIAWOOMASA-N 2 0 361.494 0.316 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001336962072 1260269378 /nfs/dbraw/zinc/26/93/78/1260269378.db2.gz XIRHVXPVJNECJB-ZACQAIPSSA-N 2 0 366.506 0.683 20 0 FCADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC001336975891 1260273819 /nfs/dbraw/zinc/27/38/19/1260273819.db2.gz JJIYZBNWYQPKCT-ZWKOTPCHSA-N 2 0 373.501 0.850 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001262568039 1260328060 /nfs/dbraw/zinc/32/80/60/1260328060.db2.gz KFMXNAGWASJMJD-QGZVFWFLSA-N 3 0 360.506 0.974 20 0 FCADRP CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@@H]1OC ZINC001262579900 1260329536 /nfs/dbraw/zinc/32/95/36/1260329536.db2.gz CNXBUBODRIOZKK-RZFLPCETSA-N 2 0 366.506 0.789 20 0 FCADRP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1CN(C)CCO1 ZINC001262578072 1260329945 /nfs/dbraw/zinc/32/99/45/1260329945.db2.gz HNPUKPKEBPOTOF-NRSFXHEJSA-N 2 0 365.522 0.316 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574003 1260330265 /nfs/dbraw/zinc/33/02/65/1260330265.db2.gz ILPZQXVWIYQASK-RHSMWYFYSA-N 2 0 371.428 0.767 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001272643218 1260471323 /nfs/dbraw/zinc/47/13/23/1260471323.db2.gz YRYIWYBSPSDODC-IBGZPJMESA-N 2 0 368.522 0.357 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C3)CC1 ZINC001273137225 1260600416 /nfs/dbraw/zinc/60/04/16/1260600416.db2.gz IRPHJGPLTSNAAI-OXFYSEKESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@H]2CCCC[N@@H+]2C)C3)CC1 ZINC001273136539 1260600866 /nfs/dbraw/zinc/60/08/66/1260600866.db2.gz DJPQXRXLENYTOB-DLBZAZTESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCCC3)C[C@H](C1)O2 ZINC001273140318 1260606995 /nfs/dbraw/zinc/60/69/95/1260606995.db2.gz GOEFGHHEEXLURX-OTWHNJEPSA-N 2 0 364.534 0.867 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001273257326 1260638957 /nfs/dbraw/zinc/63/89/57/1260638957.db2.gz ZPWFQKUEYPUCTH-UYAOXDASSA-N 2 0 366.550 0.973 20 0 FCADRP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001278478958 1260697707 /nfs/dbraw/zinc/69/77/07/1260697707.db2.gz GKDDAVFFNFEZRO-KSZLIROESA-N 2 0 362.518 0.729 20 0 FCADRP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001278488890 1260699468 /nfs/dbraw/zinc/69/94/68/1260699468.db2.gz XGPMTQAVMFGYTI-IRXDYDNUSA-N 2 0 354.458 0.950 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001278790449 1260732857 /nfs/dbraw/zinc/73/28/57/1260732857.db2.gz JFLBCGHHJLYIGB-OALUTQOASA-N 2 0 360.502 0.835 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1cn3c(n1)COCC3)CC2 ZINC001278797572 1260733815 /nfs/dbraw/zinc/73/38/15/1260733815.db2.gz NKIBDGQTGBGIPX-UHFFFAOYSA-N 2 0 361.490 0.789 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cccnc4)CC3)[C@H]2C1 ZINC001279177982 1260799105 /nfs/dbraw/zinc/79/91/05/1260799105.db2.gz BZFWHMHASSDFBN-ROUUACIJSA-N 2 0 357.502 0.656 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@@H]2C1 ZINC001279309974 1260834104 /nfs/dbraw/zinc/83/41/04/1260834104.db2.gz QSORNTJIODFJSA-HZPDHXFCSA-N 2 0 359.474 0.115 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279573375 1260895275 /nfs/dbraw/zinc/89/52/75/1260895275.db2.gz BIVBHOILWYENIX-UHFFFAOYSA-N 2 0 358.446 0.991 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001279662872 1260910088 /nfs/dbraw/zinc/91/00/88/1260910088.db2.gz WXXZXZNBVXENSQ-OALUTQOASA-N 2 0 356.474 0.714 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CCCC2)CC1 ZINC001332286784 1266371867 /nfs/dbraw/zinc/37/18/67/1266371867.db2.gz FYCNDJFNVHUVGD-SHTZXODSSA-N 2 0 366.506 0.380 20 0 FCADRP C[C@@H]1C[C@H]1C[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825483 1260939115 /nfs/dbraw/zinc/93/91/15/1260939115.db2.gz XRZRQRLMZCEEPO-HIFRSBDPSA-N 2 0 361.494 0.981 20 0 FCADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@H]23)CC1 ZINC001279895870 1260954241 /nfs/dbraw/zinc/95/42/41/1260954241.db2.gz DBKCRXCFNZUDCD-DLBZAZTESA-N 2 0 364.490 0.700 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O1 ZINC001279914936 1260959120 /nfs/dbraw/zinc/95/91/20/1260959120.db2.gz YPWYAJUZRZNLHM-ZACQAIPSSA-N 2 0 368.522 0.354 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@H](C)C(=O)OC)C[C@H]12 ZINC001280025619 1260979950 /nfs/dbraw/zinc/97/99/50/1260979950.db2.gz GCMHXLBWFUQSOA-SOUVJXGZSA-N 2 0 368.478 0.282 20 0 FCADRP CNC(=O)C(C)(C)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001280075633 1260991822 /nfs/dbraw/zinc/99/18/22/1260991822.db2.gz RUPPVFUPGBJQIM-HOTGVXAUSA-N 2 0 362.518 0.966 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC001280093284 1260998805 /nfs/dbraw/zinc/99/88/05/1260998805.db2.gz KWCAHOVRASEGSG-IAGOWNOFSA-N 2 0 360.458 0.719 20 0 FCADRP Cn1c[nH+]cc1N1CC[N@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280119638 1261009443 /nfs/dbraw/zinc/00/94/43/1261009443.db2.gz ABAIIEKZZDOREM-GOSISDBHSA-N 2 0 357.462 0.478 20 0 FCADRP C[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)CC1 ZINC001280125181 1261011186 /nfs/dbraw/zinc/01/11/86/1261011186.db2.gz GVJPVCNINWQZDI-DLBZAZTESA-N 3 0 363.506 0.225 20 0 FCADRP C[NH+]1CCC(CC[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)CC1 ZINC001280139531 1261014220 /nfs/dbraw/zinc/01/42/20/1261014220.db2.gz BBEIJVNNMZPLEM-GOSISDBHSA-N 2 0 365.518 0.819 20 0 FCADRP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280173140 1261021143 /nfs/dbraw/zinc/02/11/43/1261021143.db2.gz KKXFQVIEUGCWLH-IRXDYDNUSA-N 2 0 359.474 0.163 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001280189503 1261026218 /nfs/dbraw/zinc/02/62/18/1261026218.db2.gz VDWLBUSTOOOGMH-BPUTZDHNSA-N 2 0 360.458 0.180 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280211580 1261033711 /nfs/dbraw/zinc/03/37/11/1261033711.db2.gz XGNIWONHWJBUNX-BEFAXECRSA-N 2 0 358.490 0.817 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213803 1261034992 /nfs/dbraw/zinc/03/49/92/1261034992.db2.gz SDGQJVONQIAVPB-XDNAFOTISA-N 2 0 362.518 0.905 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC001280223453 1261039411 /nfs/dbraw/zinc/03/94/11/1261039411.db2.gz KTOIDNWKUQKLLS-QZTJIDSGSA-N 2 0 363.550 0.156 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@]23c2ccccc2NC3=O)CC1 ZINC001280241480 1261040890 /nfs/dbraw/zinc/04/08/90/1261040890.db2.gz HZRDACOFBFLTDN-OXQOHEQNSA-N 2 0 356.470 0.991 20 0 FCADRP Cn1cncc1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280289635 1261048033 /nfs/dbraw/zinc/04/80/33/1261048033.db2.gz JFHKAKFVLOKYOK-RDTXWAMCSA-N 2 0 357.462 0.639 20 0 FCADRP COC[C@@H](O)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001281292888 1261107770 /nfs/dbraw/zinc/10/77/70/1261107770.db2.gz IJOUXYJOQHNHKA-MDASCCDHSA-N 2 0 361.486 0.966 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1OC ZINC001281848706 1261231838 /nfs/dbraw/zinc/23/18/38/1261231838.db2.gz XNTILCAAPHIDNG-QBPKDAKJSA-N 2 0 368.522 0.401 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281852077 1261234940 /nfs/dbraw/zinc/23/49/40/1261234940.db2.gz PZSMQDZATADYPV-BRWVUGGUSA-N 2 0 368.522 0.543 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OC)[NH+](C)C ZINC001281863893 1261241860 /nfs/dbraw/zinc/24/18/60/1261241860.db2.gz RNBXETBAKLNFMI-OWCLPIDISA-N 2 0 366.506 0.297 20 0 FCADRP O=C(c1ccc2c(c1)C[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001332394171 1266394626 /nfs/dbraw/zinc/39/46/26/1266394626.db2.gz XVDTXCNNCSYMOJ-QGZVFWFLSA-N 2 0 356.470 0.616 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1)[C@H]1CCC[NH2+]1 ZINC001332432345 1266402657 /nfs/dbraw/zinc/40/26/57/1266402657.db2.gz VDGRDTYCYKSXHE-RRFJBIMHSA-N 2 0 374.489 0.207 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1)[NH+](C)C ZINC001282305392 1261410322 /nfs/dbraw/zinc/41/03/22/1261410322.db2.gz WXRYVERYGGXQLC-IXDOHACOSA-N 2 0 364.534 0.975 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472504255 1261471531 /nfs/dbraw/zinc/47/15/31/1261471531.db2.gz YIQAWBLLZJIPBY-KRWDZBQOSA-N 2 0 371.485 0.675 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120513 1261637230 /nfs/dbraw/zinc/63/72/30/1261637230.db2.gz RZLXVAIQVRJNAX-SFHVURJKSA-N 2 0 359.470 0.868 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001295054852 1262755175 /nfs/dbraw/zinc/75/51/75/1262755175.db2.gz HXSNXSOUUFHTRN-ARFHVFGLSA-N 2 0 361.490 0.973 20 0 FCADRP NS(=O)(=O)c1ccc(C[NH2+]CCCCCN2CC[NH2+]CC2)c(F)c1 ZINC001580363922 1278170631 /nfs/dbraw/zinc/17/06/31/1278170631.db2.gz AZWSFIHUFRJADT-UHFFFAOYSA-N 2 0 358.483 0.638 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C[NH+](C)C ZINC001306885570 1263191834 /nfs/dbraw/zinc/19/18/34/1263191834.db2.gz UJCOFADDYKZOQZ-CHWSQXEVSA-N 2 0 358.446 0.542 20 0 FCADRP NC(=O)Cn1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nn1 ZINC001308344370 1263216756 /nfs/dbraw/zinc/21/67/56/1263216756.db2.gz HEEIWQAAQCEVNE-KRWDZBQOSA-N 2 0 358.446 0.010 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001316704283 1263429808 /nfs/dbraw/zinc/42/98/08/1263429808.db2.gz OWNXLDBPZLOIGU-KFWWJZLASA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001316964487 1263495668 /nfs/dbraw/zinc/49/56/68/1263495668.db2.gz ZXAUKLYZFVMXFQ-SJLPKXTDSA-N 2 0 362.522 0.037 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385600 1278205229 /nfs/dbraw/zinc/20/52/29/1278205229.db2.gz PWHDOQOFUQYUTQ-FVQBIDKESA-N 2 0 369.473 0.897 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318661787 1263597885 /nfs/dbraw/zinc/59/78/85/1263597885.db2.gz OZLQHSZCENPHHU-QZTJIDSGSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC001320359198 1263788246 /nfs/dbraw/zinc/78/82/46/1263788246.db2.gz IZPXHIRBQJZTSF-HXUWFJFHSA-N 2 0 371.529 0.440 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001321521480 1263981761 /nfs/dbraw/zinc/98/17/61/1263981761.db2.gz RJQIQZXDSVKZTP-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001321526629 1263983361 /nfs/dbraw/zinc/98/33/61/1263983361.db2.gz ZZRWQEXGXVQVEJ-IAGOWNOFSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580389354 1278213309 /nfs/dbraw/zinc/21/33/09/1278213309.db2.gz BTCVDHMHJLKWHU-AAVRWANBSA-N 2 0 370.461 0.331 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001322370307 1264186224 /nfs/dbraw/zinc/18/62/24/1264186224.db2.gz DKOMCVCOIDYAQY-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001322960088 1264302137 /nfs/dbraw/zinc/30/21/37/1264302137.db2.gz XOSVANBMYBJHSX-HOTGVXAUSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001333624412 1266655730 /nfs/dbraw/zinc/65/57/30/1266655730.db2.gz FABKGKSAMKVXRZ-INIZCTEOSA-N 2 0 361.490 0.168 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001325354540 1264857748 /nfs/dbraw/zinc/85/77/48/1264857748.db2.gz LFDDEIBNXRFFNI-QGZVFWFLSA-N 2 0 361.490 0.616 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)CCC1 ZINC001513071150 1264913773 /nfs/dbraw/zinc/91/37/73/1264913773.db2.gz WGNBIKJEIQGPBK-HUUCEWRRSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001325639599 1264955054 /nfs/dbraw/zinc/95/50/54/1264955054.db2.gz PTLUELCJQDCTOK-FQEVSTJZSA-N 2 0 373.501 0.883 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCCO1 ZINC001325640901 1264955377 /nfs/dbraw/zinc/95/53/77/1264955377.db2.gz ZQBCSSJJMPNSDU-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC001325728909 1264981575 /nfs/dbraw/zinc/98/15/75/1264981575.db2.gz KDDVQSHOMUUOPA-UHFFFAOYSA-N 2 0 373.501 0.313 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001325741107 1264982108 /nfs/dbraw/zinc/98/21/08/1264982108.db2.gz VLFCUCABSJTECJ-NRSFXHEJSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580406134 1278240575 /nfs/dbraw/zinc/24/05/75/1278240575.db2.gz XLBJDTQAAFWBFH-ABAIWWIYSA-N 2 0 361.425 0.694 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513418080 1265110691 /nfs/dbraw/zinc/11/06/91/1265110691.db2.gz HRWYNMZHTYJFKQ-INMHGKMJSA-N 2 0 356.511 0.256 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001327324023 1265285480 /nfs/dbraw/zinc/28/54/80/1265285480.db2.gz LWKYMAROOCNKEG-VSZNYVQBSA-N 2 0 367.538 0.550 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001514018735 1265315421 /nfs/dbraw/zinc/31/54/21/1265315421.db2.gz FSYKYOVTWUZUKM-JFIYKMOQSA-N 2 0 352.523 0.974 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001327546797 1265355155 /nfs/dbraw/zinc/35/51/55/1265355155.db2.gz YLZSCMGQRQWQRC-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP O=C1NCC2(CC[NH+](C/C=C\C[NH+]3CCC4(CNC(=O)O4)CC3)CC2)O1 ZINC001332727921 1266468527 /nfs/dbraw/zinc/46/85/27/1266468527.db2.gz IWMBXUPTDIMGBI-UPHRSURJSA-N 2 0 364.446 0.691 20 0 FCADRP COC(=O)[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039601 1266527507 /nfs/dbraw/zinc/52/75/07/1266527507.db2.gz XCYINBYPBFUGRH-ICSRJNTNSA-N 2 0 361.486 0.660 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC001333403345 1266592606 /nfs/dbraw/zinc/59/26/06/1266592606.db2.gz CGFNPEXWBGSYKF-FUHIMQAGSA-N 2 0 358.486 0.868 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC001333403154 1266592711 /nfs/dbraw/zinc/59/27/11/1266592711.db2.gz AUJVYNFCNWIOAF-QGTPRVQTSA-N 2 0 358.486 0.793 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC001333403151 1266593171 /nfs/dbraw/zinc/59/31/71/1266593171.db2.gz AUJVYNFCNWIOAF-FHLIZLRMSA-N 2 0 358.486 0.793 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001580417727 1278270431 /nfs/dbraw/zinc/27/04/31/1278270431.db2.gz JUKNZXJMWUPZOP-NEPJUHHUSA-N 2 0 367.417 0.059 20 0 FCADRP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575032 1266636303 /nfs/dbraw/zinc/63/63/03/1266636303.db2.gz RBDDXEWBODYEDN-OAGGEKHMSA-N 2 0 350.463 0.597 20 0 FCADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636430 1266660429 /nfs/dbraw/zinc/66/04/29/1266660429.db2.gz SFWSZDSAESRRLH-ROUUACIJSA-N 2 0 369.469 0.650 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001333657122 1266668632 /nfs/dbraw/zinc/66/86/32/1266668632.db2.gz MSLIQHLFFAGOJM-UHFFFAOYSA-N 2 0 352.442 0.827 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001524009208 1266675933 /nfs/dbraw/zinc/67/59/33/1266675933.db2.gz PQUFJFJTGWVUOB-DLBZAZTESA-N 2 0 359.474 0.162 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001333885353 1266738587 /nfs/dbraw/zinc/73/85/87/1266738587.db2.gz SRFJNPBXDRRDTJ-MRXNPFEDSA-N 2 0 362.474 0.247 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001334007082 1266775656 /nfs/dbraw/zinc/77/56/56/1266775656.db2.gz ZIARVFKLGOLJAP-JNSHFYNHSA-N 2 0 368.428 0.709 20 0 FCADRP Cc1nccn1CCCCNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001527877763 1266931049 /nfs/dbraw/zinc/93/10/49/1266931049.db2.gz IJPPJGIAAYMMOS-UHFFFAOYSA-N 2 0 351.451 0.720 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCN2CCC3(C2)OCCO3)C1 ZINC001527877733 1266931124 /nfs/dbraw/zinc/93/11/24/1266931124.db2.gz HVUMAGYHXVVQFZ-QGZVFWFLSA-N 2 0 366.506 0.809 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC001529381725 1267058077 /nfs/dbraw/zinc/05/80/77/1267058077.db2.gz YHQCSOHTWOSMLB-OAHLLOKOSA-N 2 0 359.474 0.577 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1 ZINC001335141184 1267360024 /nfs/dbraw/zinc/36/00/24/1267360024.db2.gz IBRCJQCCZHMHTM-PYUISTEWSA-N 2 0 374.485 0.706 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC001335190876 1267396510 /nfs/dbraw/zinc/39/65/10/1267396510.db2.gz WDLQEMHWUFZTEX-JZXOWHBKSA-N 2 0 369.506 0.123 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCOCC1 ZINC001548474105 1267721164 /nfs/dbraw/zinc/72/11/64/1267721164.db2.gz SASKIXWXYITNGJ-BHYGNILZSA-N 2 0 366.506 0.095 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001548924336 1267772189 /nfs/dbraw/zinc/77/21/89/1267772189.db2.gz NLFZIHRBCAHKOY-IBGZPJMESA-N 2 0 358.486 0.860 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)cnn1C ZINC001549045530 1267794658 /nfs/dbraw/zinc/79/46/58/1267794658.db2.gz COMGQNQKEYTPRJ-KGYLQXTDSA-N 2 0 360.487 0.943 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1c1ccc(F)cc1 ZINC001549044385 1267794807 /nfs/dbraw/zinc/79/48/07/1267794807.db2.gz XXCHJJOELQETIP-ARFHVFGLSA-N 2 0 358.421 0.909 20 0 FCADRP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580476722 1278365564 /nfs/dbraw/zinc/36/55/64/1278365564.db2.gz WOVXJYZSHPCPKT-LJQANCHMSA-N 2 0 358.486 0.300 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001338490119 1267958047 /nfs/dbraw/zinc/95/80/47/1267958047.db2.gz ZSFRYCOLVCPJNA-UHFFFAOYSA-N 2 0 358.490 0.903 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001549723300 1267979197 /nfs/dbraw/zinc/97/91/97/1267979197.db2.gz YDWSPOYAENFXLK-DLBZAZTESA-N 2 0 370.457 0.873 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001549729032 1267980082 /nfs/dbraw/zinc/98/00/82/1267980082.db2.gz XEAOLQYSNFZVKL-NVQRDWNXSA-N 2 0 350.507 0.775 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549733012 1267981102 /nfs/dbraw/zinc/98/11/02/1267981102.db2.gz FTXDIODSCCAWTQ-KFWWJZLASA-N 2 0 357.462 0.416 20 0 FCADRP O=C(C[NH2+]C[C@@H](O)COc1ccccc1F)NCC[NH+]1CCCCC1 ZINC001338550071 1267981485 /nfs/dbraw/zinc/98/14/85/1267981485.db2.gz LRAAJLNZNJAMAJ-OAHLLOKOSA-N 2 0 353.438 0.757 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001549732263 1267981422 /nfs/dbraw/zinc/98/14/22/1267981422.db2.gz RAXLLRMPBKSQRE-HKUYNNGSSA-N 2 0 356.470 0.709 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC001549763463 1267995274 /nfs/dbraw/zinc/99/52/74/1267995274.db2.gz NGSPTCMKZSVVEM-JQHSSLGASA-N 2 0 374.533 0.722 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC001549999241 1268042816 /nfs/dbraw/zinc/04/28/16/1268042816.db2.gz CJYWKLKULRRXSI-SFHVURJKSA-N 2 0 364.534 0.870 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704220 1268053055 /nfs/dbraw/zinc/05/30/55/1268053055.db2.gz MTHXPGADVIOLEP-WMLDXEAASA-N 2 0 350.463 0.409 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550066936 1268067442 /nfs/dbraw/zinc/06/74/42/1268067442.db2.gz JDKWMKUYTMCWEQ-OAGGEKHMSA-N 2 0 357.462 0.416 20 0 FCADRP COc1ccc([C@H]2CN(C(=O)c3cnnn3C3CC[NH2+]CC3)C[C@@H]2[NH3+])cc1 ZINC001550107882 1268074521 /nfs/dbraw/zinc/07/45/21/1268074521.db2.gz GIOULMYVNNZCSH-SJORKVTESA-N 2 0 370.457 0.778 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C[C@@H]2[NH3+])cc1 ZINC001550103680 1268074736 /nfs/dbraw/zinc/07/47/36/1268074736.db2.gz DFEBGKSWZWPEDV-BPUTZDHNSA-N 2 0 356.430 0.388 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@@H]4C[NH2+]C[C@@]4(C)C3)ccc2[nH]c1=O ZINC001550115743 1268076646 /nfs/dbraw/zinc/07/66/46/1268076646.db2.gz DDCWWPCVLWLKRI-LIRRHRJNSA-N 2 0 357.458 0.985 20 0 FCADRP CO[C@@H]1CCOC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338757984 1268077373 /nfs/dbraw/zinc/07/73/73/1268077373.db2.gz BGULJHIUWZWQGF-YYIAUSFCSA-N 2 0 352.479 0.401 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC001338760232 1268079008 /nfs/dbraw/zinc/07/90/08/1268079008.db2.gz XPHCAKKTCFJKDS-OAHLLOKOSA-N 2 0 351.495 0.324 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)cc1 ZINC001550202248 1268091960 /nfs/dbraw/zinc/09/19/60/1268091960.db2.gz RRTBFTDYAQONFH-RDJZCZTQSA-N 2 0 370.457 0.916 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)C2 ZINC001550485661 1268127714 /nfs/dbraw/zinc/12/77/14/1268127714.db2.gz BKNAPKUYBYARSF-PLOWYNNNSA-N 2 0 353.507 0.429 20 0 FCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[NH2+]C[C@@H](O)C3)cc2)CC1 ZINC001550727986 1268157837 /nfs/dbraw/zinc/15/78/37/1268157837.db2.gz XCTIHYWDUSWUSZ-MRXNPFEDSA-N 2 0 362.474 0.635 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1C[C@@]23C[NH2+]C[C@]2(C1)CCCC3 ZINC001550751009 1268161984 /nfs/dbraw/zinc/16/19/84/1268161984.db2.gz URLZEYUZWWDRQS-RYQLBKOJSA-N 2 0 359.478 0.488 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4NCC(=O)N[C@H]4C3)C2)cc1 ZINC001550751827 1268162076 /nfs/dbraw/zinc/16/20/76/1268162076.db2.gz ROGWHFVLYSYMCJ-KSZLIROESA-N 2 0 371.485 0.441 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]C[C@@H]2F)C1 ZINC001550752730 1268162163 /nfs/dbraw/zinc/16/21/63/1268162163.db2.gz VRBABNAVJMSNEF-IKGGRYGDSA-N 2 0 350.438 0.805 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC12CCOCC2 ZINC001550754261 1268163281 /nfs/dbraw/zinc/16/32/81/1268163281.db2.gz JOZOLZDPJXQNLY-LSDHHAIUSA-N 2 0 352.479 0.294 20 0 FCADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[N@H+](C)C1 ZINC001550762518 1268164148 /nfs/dbraw/zinc/16/41/48/1268164148.db2.gz POSYPHWMEAIJQA-OWCLPIDISA-N 2 0 354.495 0.506 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NCc2ccncc2O[C@@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC001550759709 1268164160 /nfs/dbraw/zinc/16/41/60/1268164160.db2.gz YZFCHRFTVQUFJL-FRRDWIJNSA-N 2 0 373.379 0.853 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550757903 1268164257 /nfs/dbraw/zinc/16/42/57/1268164257.db2.gz CASYNULGUBQSBD-BZUAXINKSA-N 2 0 354.495 0.506 20 0 FCADRP Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC001550913861 1268184083 /nfs/dbraw/zinc/18/40/83/1268184083.db2.gz QCDFEIWXPLVXLK-PXNSSMCTSA-N 2 0 358.486 0.848 20 0 FCADRP Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)nc12 ZINC001550914742 1268184272 /nfs/dbraw/zinc/18/42/72/1268184272.db2.gz ZEUDBODLCIDIRK-VQIMIIECSA-N 2 0 369.469 0.739 20 0 FCADRP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912593 1268184563 /nfs/dbraw/zinc/18/45/63/1268184563.db2.gz IMBLQCNHRXTOOQ-KSSFIOAISA-N 2 0 364.515 0.909 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275662 1268220962 /nfs/dbraw/zinc/22/09/62/1268220962.db2.gz WEFOULPGDYUCAR-NDUQDZPOSA-N 2 0 354.495 0.384 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001551276655 1268221530 /nfs/dbraw/zinc/22/15/30/1268221530.db2.gz HHCSWKYPPZCZNM-DHADLLTHSA-N 2 0 366.506 0.480 20 0 FCADRP O=C(CC[N@@H+]1CCOC[C@H]1[C@@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387254 1268230344 /nfs/dbraw/zinc/23/03/44/1268230344.db2.gz JAOROQLYJROFTR-MSOLQXFVSA-N 2 0 374.485 0.858 20 0 FCADRP [NH3+][C@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH2+]CCC23CCOCC3)nn1 ZINC001551468928 1268257676 /nfs/dbraw/zinc/25/76/76/1268257676.db2.gz YQBOEVTZBROXTD-GOEBONIOSA-N 2 0 362.478 0.705 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001551468856 1268258355 /nfs/dbraw/zinc/25/83/55/1268258355.db2.gz UUBGDTZCKJHCTF-MOPGFXCFSA-N 2 0 373.501 0.052 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC(C[NH3+])(c2ccccc2)C1 ZINC001551486923 1268260851 /nfs/dbraw/zinc/26/08/51/1268260851.db2.gz ZQAYGONWCWXPOE-VQSBYGRUSA-N 2 0 359.518 0.981 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC001551553386 1268265401 /nfs/dbraw/zinc/26/54/01/1268265401.db2.gz GSUMQRVEFYDTFC-KBEGMRNHSA-N 2 0 365.522 0.792 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001551552475 1268265607 /nfs/dbraw/zinc/26/56/07/1268265607.db2.gz DWEQJHKZLKIJJZ-DNMXQMFDSA-N 2 0 363.506 0.274 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C[C@]2(C)C1 ZINC001551553028 1268265649 /nfs/dbraw/zinc/26/56/49/1268265649.db2.gz GNOMAVOHTKQSDD-LFEHRJTNSA-N 2 0 363.506 0.226 20 0 FCADRP CC1(C)C[NH2+][C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551554502 1268266436 /nfs/dbraw/zinc/26/64/36/1268266436.db2.gz KDRMCBRDHZMPMK-OFQRWUPVSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551557258 1268268692 /nfs/dbraw/zinc/26/86/92/1268268692.db2.gz UTXXCLQWQYLTAW-MMTVNHQJSA-N 2 0 351.495 0.178 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551558748 1268269856 /nfs/dbraw/zinc/26/98/56/1268269856.db2.gz ZRHPCLRRSNBUBE-GOEBONIOSA-N 2 0 351.495 0.546 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551560799 1268270876 /nfs/dbraw/zinc/27/08/76/1268270876.db2.gz LXXUWIAFBRRVRF-XBFCOCLRSA-N 2 0 350.385 0.500 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551575640 1268274119 /nfs/dbraw/zinc/27/41/19/1268274119.db2.gz GIWGZAPEGZBNDP-HLLBOEOZSA-N 2 0 351.495 0.273 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551576931 1268275273 /nfs/dbraw/zinc/27/52/73/1268275273.db2.gz KUPSPJIQFMFUJW-PWXKEOIMSA-N 2 0 351.495 0.402 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001551576849 1268275693 /nfs/dbraw/zinc/27/56/93/1268275693.db2.gz JZOHUDBRKJZIJA-KVSKMBFKSA-N 2 0 363.506 0.418 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551576871 1268275959 /nfs/dbraw/zinc/27/59/59/1268275959.db2.gz KKYNCUGGTNHIJO-ZMSDIMECSA-N 2 0 351.495 0.417 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001551579582 1268276348 /nfs/dbraw/zinc/27/63/48/1268276348.db2.gz OLOIHBWJTWOMMI-MMTVNHQJSA-N 2 0 351.495 0.402 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551580553 1268278107 /nfs/dbraw/zinc/27/81/07/1268278107.db2.gz QBDRYKGTAVDSQO-HLLBOEOZSA-N 2 0 351.495 0.369 20 0 FCADRP C[C@]1(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001551582136 1268278414 /nfs/dbraw/zinc/27/84/14/1268278414.db2.gz UAVJAQNYWPBEKF-KYJSFNMBSA-N 2 0 351.495 0.322 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551594783 1268281648 /nfs/dbraw/zinc/28/16/48/1268281648.db2.gz QAXZMHOTJSJXHK-NYCLONFESA-N 2 0 363.506 0.511 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551594777 1268281774 /nfs/dbraw/zinc/28/17/74/1268281774.db2.gz QAXZMHOTJSJXHK-KBEGMRNHSA-N 2 0 363.506 0.511 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2occc(=O)c2c1 ZINC001339799326 1268334241 /nfs/dbraw/zinc/33/42/41/1268334241.db2.gz RCTHALPGRYYBEJ-UHFFFAOYSA-N 2 0 374.441 0.683 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552099763 1268373891 /nfs/dbraw/zinc/37/38/91/1268373891.db2.gz SUMQYRLDYAXNGQ-RCCFBDPRSA-N 2 0 367.538 0.299 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552153388 1268394683 /nfs/dbraw/zinc/39/46/83/1268394683.db2.gz DSQRCPCKXIGBCL-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC001552167574 1268399984 /nfs/dbraw/zinc/39/99/84/1268399984.db2.gz DDIBKRVHPQSXCL-ROUUACIJSA-N 2 0 354.458 0.775 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)[C@@H](C)C1 ZINC001552168427 1268400657 /nfs/dbraw/zinc/40/06/57/1268400657.db2.gz YQVZKCQIUQHWIK-OTRWWLKZSA-N 2 0 364.494 0.169 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC1 ZINC001552168341 1268400683 /nfs/dbraw/zinc/40/06/83/1268400683.db2.gz UTRICFYAXYOOMS-FHLIZLRMSA-N 2 0 362.522 0.174 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cnn1C ZINC001552168265 1268400891 /nfs/dbraw/zinc/40/08/91/1268400891.db2.gz QZCPWPPLEAXWHM-BPQIPLTHSA-N 2 0 361.490 0.212 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001552185975 1268405330 /nfs/dbraw/zinc/40/53/30/1268405330.db2.gz MUCKEEDZXPWXCX-AOIWGVFYSA-N 2 0 365.522 0.163 20 0 FCADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200106 1268407185 /nfs/dbraw/zinc/40/71/85/1268407185.db2.gz COPYKRNBZDOYLB-IRFCIJBXSA-N 2 0 373.497 0.784 20 0 FCADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001552215768 1268412530 /nfs/dbraw/zinc/41/25/30/1268412530.db2.gz LUHZENYHFGGHRM-HZPDHXFCSA-N 2 0 361.494 0.053 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)C[C@H](C)O1 ZINC001552283480 1268431624 /nfs/dbraw/zinc/43/16/24/1268431624.db2.gz STLBQZHIQPIIEJ-JZXOWHBKSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283890 1268433422 /nfs/dbraw/zinc/43/34/22/1268433422.db2.gz VIOWFZLBOSEXPL-HNAWSFBYSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001340120962 1268442404 /nfs/dbraw/zinc/44/24/04/1268442404.db2.gz MPZRFHXFFFKMMD-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C[C@@H]2C1 ZINC001552337684 1268444825 /nfs/dbraw/zinc/44/48/25/1268444825.db2.gz GEJPVIJHAXPXTB-QSJFSLAZSA-N 2 0 361.494 0.814 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421430 1268459952 /nfs/dbraw/zinc/45/99/52/1268459952.db2.gz FHNAULKGIWHYEX-ZWKOTPCHSA-N 2 0 352.523 0.630 20 0 FCADRP Cc1c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435280 1268462126 /nfs/dbraw/zinc/46/21/26/1268462126.db2.gz KAAFLNQOGMWIMT-CJNGLKHVSA-N 2 0 364.494 0.286 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001340197957 1268466791 /nfs/dbraw/zinc/46/67/91/1268466791.db2.gz CTMBPVCIFYWZBQ-UHFFFAOYSA-N 2 0 366.462 0.276 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001552603496 1268486077 /nfs/dbraw/zinc/48/60/77/1268486077.db2.gz HPUDWDFNPXJENY-TWMKSMIVSA-N 2 0 363.510 0.895 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552696675 1268524151 /nfs/dbraw/zinc/52/41/51/1268524151.db2.gz WQQKJIISOWGPMJ-WBVHZDCISA-N 2 0 363.510 0.476 20 0 FCADRP [NH3+][C@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001552695572 1268524477 /nfs/dbraw/zinc/52/44/77/1268524477.db2.gz NXKCKDFWRMWHOL-DOTOQJQBSA-N 2 0 362.478 0.657 20 0 FCADRP CN(C)[C@H](CNC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)c1ccco1 ZINC001552793270 1268547282 /nfs/dbraw/zinc/54/72/82/1268547282.db2.gz PPWJKRBCDAXFNW-KFWWJZLASA-N 2 0 361.450 0.671 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2ccc(Cl)cc2)C[C@H]1n1ccnn1 ZINC001552850469 1268559507 /nfs/dbraw/zinc/55/95/07/1268559507.db2.gz DPCAHNNAJLMROU-KLHDSHLOSA-N 2 0 360.849 0.645 20 0 FCADRP Cc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552847255 1268559690 /nfs/dbraw/zinc/55/96/90/1268559690.db2.gz QAABVVNCTRDIMZ-WOPDTQHZSA-N 2 0 360.384 0.720 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H](O)C2 ZINC001552996208 1268575482 /nfs/dbraw/zinc/57/54/82/1268575482.db2.gz GGPCYSCWHFRSKU-GJGATLCTSA-N 2 0 367.538 0.011 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H](O)C2 ZINC001552996209 1268575764 /nfs/dbraw/zinc/57/57/64/1268575764.db2.gz GGPCYSCWHFRSKU-OREBXVKISA-N 2 0 367.538 0.011 20 0 FCADRP CN(C)C(=O)COc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c1 ZINC001553389576 1268642741 /nfs/dbraw/zinc/64/27/41/1268642741.db2.gz MYFSQNRHPARKHK-UZLBHIALSA-N 2 0 374.485 0.311 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405050 1268645499 /nfs/dbraw/zinc/64/54/99/1268645499.db2.gz CVAPQVPJHCWVRT-GBESFXJTSA-N 2 0 358.486 0.570 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553437176 1268650303 /nfs/dbraw/zinc/65/03/03/1268650303.db2.gz CPQOFSIBJJSAOZ-MRXNPFEDSA-N 2 0 358.490 0.856 20 0 FCADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)C[C@H]21 ZINC001553443713 1268650389 /nfs/dbraw/zinc/65/03/89/1268650389.db2.gz IFBNPQVMGBOKGT-LDLYASANSA-N 2 0 358.486 0.989 20 0 FCADRP CCc1nc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)no1 ZINC001553449908 1268651187 /nfs/dbraw/zinc/65/11/87/1268651187.db2.gz SETPMVXGWVUOGI-GASCZTMLSA-N 2 0 362.478 0.785 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553504068 1268659853 /nfs/dbraw/zinc/65/98/53/1268659853.db2.gz QTBPJBWNGOGYMN-MCIONIFRSA-N 2 0 363.428 0.606 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C2CC[NH2+]CC2)CC12CCOCC2 ZINC001553501556 1268660169 /nfs/dbraw/zinc/66/01/69/1268660169.db2.gz HGJOKTBOCRZTEM-BZUAXINKSA-N 2 0 352.479 0.293 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@]23CC[C@H]2CC[NH2+]3)CC1 ZINC001553541187 1268665597 /nfs/dbraw/zinc/66/55/97/1268665597.db2.gz KAKPDKFTKHIUQL-MAUKXSAKSA-N 2 0 363.506 0.644 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001553544496 1268666768 /nfs/dbraw/zinc/66/67/68/1268666768.db2.gz QNSLZHXGGBTURE-VNHYZAJKSA-N 2 0 365.457 0.018 20 0 FCADRP C[C@@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001340931167 1268714944 /nfs/dbraw/zinc/71/49/44/1268714944.db2.gz WVIOSFUDVLEGIX-BGTYHANMSA-N 2 0 351.491 0.998 20 0 FCADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001341099553 1268784623 /nfs/dbraw/zinc/78/46/23/1268784623.db2.gz ZDSTZIFBAALAES-GOEBONIOSA-N 2 0 350.463 0.630 20 0 FCADRP C[C@@H]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001341184836 1268843631 /nfs/dbraw/zinc/84/36/31/1268843631.db2.gz QPRRCIVZUGFKRK-SJORKVTESA-N 2 0 373.501 0.967 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1)NCC1CCCCC1 ZINC001580533648 1278458455 /nfs/dbraw/zinc/45/84/55/1278458455.db2.gz IZIMTVALNOKRPY-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001341627997 1269117832 /nfs/dbraw/zinc/11/78/32/1269117832.db2.gz VDESIONUNALCMG-FQEVSTJZSA-N 2 0 360.502 0.820 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001341731982 1269175793 /nfs/dbraw/zinc/17/57/93/1269175793.db2.gz GWEGRAJIGNKQGA-ZJIFWQFVSA-N 2 0 359.474 0.630 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001341761823 1269190670 /nfs/dbraw/zinc/19/06/70/1269190670.db2.gz VRMYUDBISBSDHB-QGZVFWFLSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001565603059 1269480602 /nfs/dbraw/zinc/48/06/02/1269480602.db2.gz AFVCBWOAUZYJJD-QGZVFWFLSA-N 2 0 352.523 0.441 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCc3[nH]cnc3C23CC[NH2+]CC3)cn1 ZINC001342466352 1269481951 /nfs/dbraw/zinc/48/19/51/1269481951.db2.gz ATRREHMJEZCGNH-UHFFFAOYSA-N 2 0 357.462 0.445 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001565779353 1269492917 /nfs/dbraw/zinc/49/29/17/1269492917.db2.gz FARPFLXMEDQBLM-RBSFLKMASA-N 2 0 369.510 0.387 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925184 1269520808 /nfs/dbraw/zinc/52/08/08/1269520808.db2.gz WNUACOOGKVBALM-FHLIZLRMSA-N 2 0 363.506 0.823 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925185 1269520963 /nfs/dbraw/zinc/52/09/63/1269520963.db2.gz WNUACOOGKVBALM-JCGIZDLHSA-N 2 0 363.506 0.823 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036089 1269742322 /nfs/dbraw/zinc/74/23/22/1269742322.db2.gz CDSBDJKADROFNE-KSSFIOAISA-N 2 0 372.469 0.922 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001569875979 1269813130 /nfs/dbraw/zinc/81/31/30/1269813130.db2.gz WXKKWRWJJBDHMP-WCXIOVBPSA-N 2 0 364.534 0.879 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)c1 ZINC001343407556 1269900031 /nfs/dbraw/zinc/90/00/31/1269900031.db2.gz FQZZBWJVPQRYGF-IBGZPJMESA-N 2 0 362.474 0.099 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001343606000 1269960566 /nfs/dbraw/zinc/96/05/66/1269960566.db2.gz RYDFKGKZRZTKQA-SOLBZPMBSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC)[NH+](C)C ZINC001572971460 1270429964 /nfs/dbraw/zinc/42/99/64/1270429964.db2.gz NJRIHRPLQMTVHE-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001573006262 1270490078 /nfs/dbraw/zinc/49/00/78/1270490078.db2.gz XAAJHWVHPUCTCD-ZACQAIPSSA-N 2 0 366.506 0.031 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607784 1278567574 /nfs/dbraw/zinc/56/75/74/1278567574.db2.gz AOIAWXRNMRGQLQ-CABCVRRESA-N 2 0 353.532 0.967 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001573066855 1270588112 /nfs/dbraw/zinc/58/81/12/1270588112.db2.gz DWZNYEHVCCNLON-BRWVUGGUSA-N 2 0 364.534 0.974 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001580635365 1278596264 /nfs/dbraw/zinc/59/62/64/1278596264.db2.gz NLXGMUGCIDUZEG-RDJZCZTQSA-N 2 0 353.413 0.984 20 0 FCADRP CC(C)[C@@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573972765 1270966218 /nfs/dbraw/zinc/96/62/18/1270966218.db2.gz FHHFPYBOUKBMKJ-INIZCTEOSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[C@H](C(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573975155 1270969283 /nfs/dbraw/zinc/96/92/83/1270969283.db2.gz PUWSABGPDDRZKL-OAHLLOKOSA-N 2 0 360.466 0.743 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977853 1270971690 /nfs/dbraw/zinc/97/16/90/1270971690.db2.gz QXEDBPKWJIWCOI-XJKSGUPXSA-N 2 0 372.477 0.790 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001574019806 1271000172 /nfs/dbraw/zinc/00/01/72/1271000172.db2.gz RDHFAOWHFOQCAQ-HZPDHXFCSA-N 2 0 374.493 0.823 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027743 1271008009 /nfs/dbraw/zinc/00/80/09/1271008009.db2.gz KQWZBIDIPIYIGZ-MRXNPFEDSA-N 2 0 372.477 0.578 20 0 FCADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033303 1271017238 /nfs/dbraw/zinc/01/72/38/1271017238.db2.gz OYOGYCCANAOLNP-OAHLLOKOSA-N 2 0 360.466 0.577 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574252450 1271120987 /nfs/dbraw/zinc/12/09/87/1271120987.db2.gz HTHANJNIIXADNP-INIZCTEOSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574260526 1271131119 /nfs/dbraw/zinc/13/11/19/1271131119.db2.gz KZTZNYRTIZWBBZ-MRXNPFEDSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574261254 1271133917 /nfs/dbraw/zinc/13/39/17/1271133917.db2.gz HEGTYVUWWGRASB-OAHLLOKOSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261659 1271136078 /nfs/dbraw/zinc/13/60/78/1271136078.db2.gz KREMLUGTYBPRKG-ZFWWWQNUSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574277663 1271154405 /nfs/dbraw/zinc/15/44/05/1271154405.db2.gz TWHRBYVEGMFGNM-CQSZACIVSA-N 2 0 372.477 0.887 20 0 FCADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574831812 1271577703 /nfs/dbraw/zinc/57/77/03/1271577703.db2.gz YHLWAPNYAZBNRV-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870883 1271621897 /nfs/dbraw/zinc/62/18/97/1271621897.db2.gz DYDRXZPWFUYXAM-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574879185 1271640779 /nfs/dbraw/zinc/64/07/79/1271640779.db2.gz XZOZTYWFQVFRKT-LLVKDONJSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884262 1271643209 /nfs/dbraw/zinc/64/32/09/1271643209.db2.gz FVYXWWXEAVSRGE-DOMZBBRYSA-N 2 0 370.461 0.190 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328779 1271941760 /nfs/dbraw/zinc/94/17/60/1271941760.db2.gz VKKLBMXBCQAJGH-SOLBZPMBSA-N 2 0 360.506 0.858 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420453 1272079080 /nfs/dbraw/zinc/07/90/80/1272079080.db2.gz LBTJODRFFVRTQC-IRXDYDNUSA-N 2 0 364.494 0.427 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3CC[NH3+])C2)CC1 ZINC001575700577 1272322077 /nfs/dbraw/zinc/32/20/77/1272322077.db2.gz RJDALCFMDOLMPV-QGZVFWFLSA-N 2 0 361.538 0.794 20 0 FCADRP C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702095 1272323238 /nfs/dbraw/zinc/32/32/38/1272323238.db2.gz KMBFZNVONQUEJC-HOCLYGCPSA-N 2 0 350.467 0.386 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001580676508 1278696677 /nfs/dbraw/zinc/69/66/77/1278696677.db2.gz VVGIIAZCTAGSHU-SOLBZPMBSA-N 2 0 354.495 0.291 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001575722356 1272378300 /nfs/dbraw/zinc/37/83/00/1272378300.db2.gz MQFFZDSXMSCZEA-BRWVUGGUSA-N 2 0 353.507 0.885 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH3+])CC1 ZINC001575998937 1272678058 /nfs/dbraw/zinc/67/80/58/1272678058.db2.gz SGMOGAWYOREKBC-LSDHHAIUSA-N 2 0 363.510 0.745 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001576048253 1272776917 /nfs/dbraw/zinc/77/69/17/1272776917.db2.gz VECFWNPLPWQZLG-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001576048251 1272777066 /nfs/dbraw/zinc/77/70/66/1272777066.db2.gz VECFWNPLPWQZLG-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH3+])CC1)[NH+](C)C ZINC001576066254 1272816411 /nfs/dbraw/zinc/81/64/11/1272816411.db2.gz SQOSLCATJIMMPR-CYBMUJFWSA-N 2 0 372.477 0.803 20 0 FCADRP C[C@H]([NH3+])C1(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CCOCC1 ZINC001576107178 1272892220 /nfs/dbraw/zinc/89/22/20/1272892220.db2.gz DQGOXCWBIOXDEL-YESZJQIVSA-N 2 0 352.523 0.805 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576113111 1272901726 /nfs/dbraw/zinc/90/17/26/1272901726.db2.gz AESGAJLEEVHMIQ-STQMWFEESA-N 2 0 358.450 0.687 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576113110 1272902588 /nfs/dbraw/zinc/90/25/88/1272902588.db2.gz AESGAJLEEVHMIQ-CHWSQXEVSA-N 2 0 358.450 0.687 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576254360 1273036763 /nfs/dbraw/zinc/03/67/63/1273036763.db2.gz CNEDBTHAWCKMQY-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001580713240 1278772899 /nfs/dbraw/zinc/77/28/99/1278772899.db2.gz XAPNLSIAMHDUBP-LJQANCHMSA-N 2 0 358.486 0.429 20 0 FCADRP CC[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576489498 1273340761 /nfs/dbraw/zinc/34/07/61/1273340761.db2.gz HCABAGBTRQGLJB-MRXNPFEDSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498156 1273358600 /nfs/dbraw/zinc/35/86/00/1273358600.db2.gz JTVHHTZEIGPFMT-GJZGRUSLSA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498752 1273359527 /nfs/dbraw/zinc/35/95/27/1273359527.db2.gz MRPCXCPIADDTLE-HZPDHXFCSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576499551 1273361597 /nfs/dbraw/zinc/36/15/97/1273361597.db2.gz RXWMGEXULGPXLI-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576499548 1273362695 /nfs/dbraw/zinc/36/26/95/1273362695.db2.gz RXWMGEXULGPXLI-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499970 1273363780 /nfs/dbraw/zinc/36/37/80/1273363780.db2.gz VKTXFZDKUHXTNZ-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500078 1273364098 /nfs/dbraw/zinc/36/40/98/1273364098.db2.gz OZYPITHPWQVMQF-INIZCTEOSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@@H](C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1)[NH+](C)C ZINC001576500713 1273364901 /nfs/dbraw/zinc/36/49/01/1273364901.db2.gz SEXZPLUBUVVLSA-HNNXBMFYSA-N 2 0 372.477 0.783 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576505713 1273374275 /nfs/dbraw/zinc/37/42/75/1273374275.db2.gz KPNIMHPEWOPOCX-CMPLNLGQSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)[NH+](C)C ZINC001576522590 1273410787 /nfs/dbraw/zinc/41/07/87/1273410787.db2.gz XGLGBWTWERIKHT-HUUCEWRRSA-N 2 0 374.493 0.967 20 0 FCADRP CCOCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001576583117 1273461845 /nfs/dbraw/zinc/46/18/45/1273461845.db2.gz OCFZQYDOJROFAY-QGZVFWFLSA-N 2 0 366.510 0.974 20 0 FCADRP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1CC([NH2+]CCc2cn[nH]n2)C1 ZINC001576711694 1273581872 /nfs/dbraw/zinc/58/18/72/1273581872.db2.gz ICDQEUXVAKXNNL-UHFFFAOYSA-N 2 0 364.494 0.285 20 0 FCADRP CN(C[C@H](O)C[NH2+]CCc1cn[nH]n1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001576747288 1273618009 /nfs/dbraw/zinc/61/80/09/1273618009.db2.gz KDOSDZSYZZCCGW-MRXNPFEDSA-N 2 0 366.510 0.268 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1)CC(C)(C)C ZINC001576763128 1273638393 /nfs/dbraw/zinc/63/83/93/1273638393.db2.gz ZYMWUVACBVORSR-HNNXBMFYSA-N 2 0 364.494 0.285 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794281 1273695583 /nfs/dbraw/zinc/69/55/83/1273695583.db2.gz DRANWKAQOAIHBF-GJZGRUSLSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794283 1273695882 /nfs/dbraw/zinc/69/58/82/1273695882.db2.gz DRANWKAQOAIHBF-LSDHHAIUSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576815320 1273734324 /nfs/dbraw/zinc/73/43/24/1273734324.db2.gz DLGSLBAKIHVTAG-ZDUSSCGKSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1[NH3+] ZINC001576830282 1273755141 /nfs/dbraw/zinc/75/51/41/1273755141.db2.gz FOEVUGCTVPMMGU-BSXFFOKHSA-N 2 0 364.494 0.370 20 0 FCADRP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001576839704 1273776001 /nfs/dbraw/zinc/77/60/01/1273776001.db2.gz UBLILBYDOLZBKD-HOTGVXAUSA-N 2 0 350.467 0.386 20 0 FCADRP C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)C[C@H]1[NH3+] ZINC001576844695 1273786992 /nfs/dbraw/zinc/78/69/92/1273786992.db2.gz NNAAIJUBDUONQR-RRFJBIMHSA-N 2 0 352.483 0.491 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849503 1273797613 /nfs/dbraw/zinc/79/76/13/1273797613.db2.gz GJOUMQPMLHRKJB-GJZGRUSLSA-N 2 0 361.494 0.536 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849502 1273799441 /nfs/dbraw/zinc/79/94/41/1273799441.db2.gz GJOUMQPMLHRKJB-CABCVRRESA-N 2 0 361.494 0.536 20 0 FCADRP O=C(NCc1cn(C2C[NH2+]C2)nn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001580727692 1278817202 /nfs/dbraw/zinc/81/72/02/1278817202.db2.gz YRSOYUMVBRNTAW-HNNXBMFYSA-N 2 0 355.446 0.496 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3cn[nH]n3)C2)C1 ZINC001576874965 1273851802 /nfs/dbraw/zinc/85/18/02/1273851802.db2.gz AAICBTNTXGDCTB-GJYPPUQNSA-N 2 0 360.506 0.907 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@H+](CCc3c[nH]nn3)C2)CC1 ZINC001576884742 1273874906 /nfs/dbraw/zinc/87/49/06/1273874906.db2.gz ZCMFTPCOOHYUEE-HNNXBMFYSA-N 2 0 350.467 0.039 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001576995016 1274029318 /nfs/dbraw/zinc/02/93/18/1274029318.db2.gz HTSDZKDOXMQOTQ-ZQDZILKHSA-N 2 0 363.510 0.525 20 0 FCADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026563 1274082072 /nfs/dbraw/zinc/08/20/72/1274082072.db2.gz GACUWWIHRMIUIG-HUUCEWRRSA-N 2 0 366.510 0.676 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001577142363 1274193159 /nfs/dbraw/zinc/19/31/59/1274193159.db2.gz ZPVNGNAANUOKCC-RDTXWAMCSA-N 2 0 360.506 0.906 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577550912 1274490777 /nfs/dbraw/zinc/49/07/77/1274490777.db2.gz OMICRKCZXHANQN-WFASDCNBSA-N 2 0 358.450 0.284 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577553796 1274495447 /nfs/dbraw/zinc/49/54/47/1274495447.db2.gz IYOHRCWZWGKOCJ-ZFWWWQNUSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577553794 1274495601 /nfs/dbraw/zinc/49/56/01/1274495601.db2.gz IYOHRCWZWGKOCJ-HIFRSBDPSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577554015 1274495886 /nfs/dbraw/zinc/49/58/86/1274495886.db2.gz NWRSUJKQCKUXLQ-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577556647 1274497966 /nfs/dbraw/zinc/49/79/66/1274497966.db2.gz DZLHPOSUZIEWEN-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558944 1274504602 /nfs/dbraw/zinc/50/46/02/1274504602.db2.gz OLMIAONZZGJMHD-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577564894 1274520061 /nfs/dbraw/zinc/52/00/61/1274520061.db2.gz CGYFXOOOHQIWAB-WKILWMFISA-N 2 0 357.462 0.945 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC2(C1)CS(=O)(=O)C2 ZINC001580759891 1278883012 /nfs/dbraw/zinc/88/30/12/1278883012.db2.gz VTRSWEJLCRORJV-UHFFFAOYSA-N 2 0 350.444 0.255 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665207 1274683638 /nfs/dbraw/zinc/68/36/38/1274683638.db2.gz NHPJXTFTBBYFDZ-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668160 1274688815 /nfs/dbraw/zinc/68/88/15/1274688815.db2.gz IWRRZBURPUELII-SWLSCSKDSA-N 2 0 358.450 0.475 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577670458 1274696453 /nfs/dbraw/zinc/69/64/53/1274696453.db2.gz ULRNQGOLGYBJSC-INIZCTEOSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672946 1274703936 /nfs/dbraw/zinc/70/39/36/1274703936.db2.gz DJMPQGDWDCWPSO-SWLSCSKDSA-N 2 0 358.450 0.475 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC001577731436 1274807298 /nfs/dbraw/zinc/80/72/98/1274807298.db2.gz QECZXCUFISHGPH-OAHLLOKOSA-N 2 0 365.526 0.945 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[NH2+][C@@H](C)C1)C(C)C ZINC001577731452 1274807869 /nfs/dbraw/zinc/80/78/69/1274807869.db2.gz QVLUGNIEUDTTCI-HNNXBMFYSA-N 2 0 365.526 0.945 20 0 FCADRP CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH2+]CC2)CC1 ZINC001577775479 1274866774 /nfs/dbraw/zinc/86/67/74/1274866774.db2.gz HFJYVOBXTRBBCJ-KRWDZBQOSA-N 2 0 363.554 0.912 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC001577781343 1274875846 /nfs/dbraw/zinc/87/58/46/1274875846.db2.gz MTDJHVKHQGJKOT-GOEBONIOSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852153 1274991546 /nfs/dbraw/zinc/99/15/46/1274991546.db2.gz KVZHEJYTKXNRQU-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577851848 1274994445 /nfs/dbraw/zinc/99/44/45/1274994445.db2.gz DBZAFIFEOARHMD-CHWSQXEVSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855834 1275009044 /nfs/dbraw/zinc/00/90/44/1275009044.db2.gz RDKZZKJSMKZVMF-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577860256 1275021800 /nfs/dbraw/zinc/02/18/00/1275021800.db2.gz UVVSWOWKSROJBC-SFHVURJKSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863358 1275035491 /nfs/dbraw/zinc/03/54/91/1275035491.db2.gz VCZABYVEWCTIMQ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577869482 1275052393 /nfs/dbraw/zinc/05/23/93/1275052393.db2.gz FBQIXHIYGJBUDG-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577869831 1275055111 /nfs/dbraw/zinc/05/51/11/1275055111.db2.gz YZNYHTSRAMPYMJ-HIFRSBDPSA-N 2 0 372.477 0.995 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577871813 1275060593 /nfs/dbraw/zinc/06/05/93/1275060593.db2.gz PFFHOQMIZHFOQT-VIKVFOODSA-N 2 0 356.434 0.154 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577879780 1275077011 /nfs/dbraw/zinc/07/70/11/1275077011.db2.gz MULYJRUPUPUQLO-ZDUSSCGKSA-N 2 0 360.466 0.593 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577882687 1275083055 /nfs/dbraw/zinc/08/30/55/1275083055.db2.gz KAGOAUYNELQSTE-HNNXBMFYSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882967 1275084347 /nfs/dbraw/zinc/08/43/47/1275084347.db2.gz QFIITWBWCBNSNK-CQSZACIVSA-N 2 0 372.477 0.594 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577882942 1275084627 /nfs/dbraw/zinc/08/46/27/1275084627.db2.gz PQPOVNNLELJAEP-OLZOCXBDSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895920 1275106853 /nfs/dbraw/zinc/10/68/53/1275106853.db2.gz UGVNLDCLHOWSSP-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCC3(C[NH2+]C3)CC2)CC1 ZINC001577932411 1275147647 /nfs/dbraw/zinc/14/76/47/1275147647.db2.gz POHZFAVNVJLRJT-KOHRHEQBSA-N 2 0 354.491 0.907 20 0 FCADRP CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577957508 1275180503 /nfs/dbraw/zinc/18/05/03/1275180503.db2.gz GYCGMMILZFLLQZ-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@@H](C)C1 ZINC001578108081 1275410818 /nfs/dbraw/zinc/41/08/18/1275410818.db2.gz NVBJXFFNXJZZGJ-HOTGVXAUSA-N 2 0 353.507 0.744 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+](C)C1CCC1 ZINC001578110073 1275412030 /nfs/dbraw/zinc/41/20/30/1275412030.db2.gz URUZEHCPJZZVSH-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP CCOCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001578146828 1275446769 /nfs/dbraw/zinc/44/67/69/1275446769.db2.gz YQYVDFQFHISORH-BBRMVZONSA-N 2 0 352.508 0.401 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220017 1275515508 /nfs/dbraw/zinc/51/55/08/1275515508.db2.gz VANULQQQXPNNRB-XJKSGUPXSA-N 2 0 370.461 0.571 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219910 1275516563 /nfs/dbraw/zinc/51/65/63/1275516563.db2.gz SMJNNFXZTAOFBU-CZUORRHYSA-N 2 0 372.477 0.865 20 0 FCADRP CCc1nnc(N2CC[NH2+][C@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001578324024 1275667823 /nfs/dbraw/zinc/66/78/23/1275667823.db2.gz CZQSQWXWSSVKRS-CVEARBPZSA-N 2 0 350.511 0.876 20 0 FCADRP CCc1nnc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001578331256 1275678494 /nfs/dbraw/zinc/67/84/94/1275678494.db2.gz QNYDZOPDAVFOAF-YESZJQIVSA-N 2 0 362.522 0.997 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001578416848 1275785536 /nfs/dbraw/zinc/78/55/36/1275785536.db2.gz HFDBHBKYMVRFNN-UHFFFAOYSA-N 2 0 358.446 0.711 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001578416777 1275786402 /nfs/dbraw/zinc/78/64/02/1275786402.db2.gz BTGMZNIUMRVKSC-OAHLLOKOSA-N 2 0 351.451 0.200 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC001578418719 1275787284 /nfs/dbraw/zinc/78/72/84/1275787284.db2.gz PWMBCQLJPREKCG-CYBMUJFWSA-N 2 0 354.476 0.607 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001578418314 1275787849 /nfs/dbraw/zinc/78/78/49/1275787849.db2.gz FWONYSJZVQZGOP-AWEZNQCLSA-N 2 0 350.467 0.385 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001578419969 1275789106 /nfs/dbraw/zinc/78/91/06/1275789106.db2.gz IFTWALWSSAEIMI-CVEARBPZSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578420176 1275789208 /nfs/dbraw/zinc/78/92/08/1275789208.db2.gz VFPLGFHCXIQUOY-HUBLWGQQSA-N 2 0 358.450 0.331 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001578444894 1275832838 /nfs/dbraw/zinc/83/28/38/1275832838.db2.gz AZBSMZCAQLACJE-GOSISDBHSA-N 2 0 358.442 0.200 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578446630 1275835220 /nfs/dbraw/zinc/83/52/20/1275835220.db2.gz DGYGVEMLVZRGAK-HEHGZKQESA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578469417 1275880788 /nfs/dbraw/zinc/88/07/88/1275880788.db2.gz IHVBSSUVXSQSEL-QAPCUYQASA-N 2 0 372.477 0.674 20 0 FCADRP C[NH+]1CCC(CNC(=O)c2cccc3c2C[NH2+]C3)(N2CCOCC2)CC1 ZINC001578525294 1275957296 /nfs/dbraw/zinc/95/72/96/1275957296.db2.gz UTRHSQLHSXTMEZ-UHFFFAOYSA-N 2 0 358.486 0.816 20 0 FCADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578878603 1276406511 /nfs/dbraw/zinc/40/65/11/1276406511.db2.gz SAEOKXYJNTUCFC-MRXNPFEDSA-N 2 0 369.473 0.995 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578965900 1276509300 /nfs/dbraw/zinc/50/93/00/1276509300.db2.gz BQCSFFSWNHENSL-HAQNSBGRSA-N 2 0 356.434 0.227 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001578965842 1276509328 /nfs/dbraw/zinc/50/93/28/1276509328.db2.gz ZCDRNTZJCNNOAU-CYBMUJFWSA-N 2 0 370.461 0.571 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578970411 1276513306 /nfs/dbraw/zinc/51/33/06/1276513306.db2.gz ALOLXIWEDOESKB-HNNXBMFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578972561 1276517547 /nfs/dbraw/zinc/51/75/47/1276517547.db2.gz RKLJRUPLMFNJTD-ZDUSSCGKSA-N 2 0 370.461 0.546 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578971878 1276518231 /nfs/dbraw/zinc/51/82/31/1276518231.db2.gz LDILWBBPTCSDQX-UHFFFAOYSA-N 2 0 369.473 0.757 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578973480 1276519265 /nfs/dbraw/zinc/51/92/65/1276519265.db2.gz PVOGZGVPICTKCE-JOCQHMNTSA-N 2 0 370.461 0.332 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578974382 1276522767 /nfs/dbraw/zinc/52/27/67/1276522767.db2.gz NCNVZZPEXOKQQO-AWEZNQCLSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001578976155 1276525999 /nfs/dbraw/zinc/52/59/99/1276525999.db2.gz PHJYBNITDHGKJT-MRXNPFEDSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578976416 1276527740 /nfs/dbraw/zinc/52/77/40/1276527740.db2.gz ZAHJDLIYCMDLKL-UHFFFAOYSA-N 2 0 357.462 0.803 20 0 FCADRP CN(C[C@H]1CCCN1C(=O)CC[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578976783 1276529845 /nfs/dbraw/zinc/52/98/45/1276529845.db2.gz FNTFPWXZEKWMIE-CYBMUJFWSA-N 2 0 358.450 0.641 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578976825 1276530511 /nfs/dbraw/zinc/53/05/11/1276530511.db2.gz GLSGZSIXROQTQQ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001578977661 1276531255 /nfs/dbraw/zinc/53/12/55/1276531255.db2.gz UHQRTEXYWJOZJR-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001578980395 1276540557 /nfs/dbraw/zinc/54/05/57/1276540557.db2.gz IWCFJFMGNQOQFA-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578985170 1276550769 /nfs/dbraw/zinc/55/07/69/1276550769.db2.gz DBMSDRCJFKLTPJ-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578987965 1276558996 /nfs/dbraw/zinc/55/89/96/1276558996.db2.gz JNOAMMZYSSICPY-FZNQNYSPSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578987949 1276560465 /nfs/dbraw/zinc/56/04/65/1276560465.db2.gz IGHWDNXZJMDQAH-HDJSIYSDSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001578988245 1276561879 /nfs/dbraw/zinc/56/18/79/1276561879.db2.gz SMXGXCXEQYBGIM-HALDLXJZSA-N 2 0 373.436 0.504 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578988514 1276561962 /nfs/dbraw/zinc/56/19/62/1276561962.db2.gz ZAHJDLIYCMDLKL-KOMQPUFPSA-N 2 0 357.462 0.803 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001579004802 1276574929 /nfs/dbraw/zinc/57/49/29/1276574929.db2.gz UAFKMXDINONKRM-UHFFFAOYSA-N 2 0 360.466 0.532 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579003728 1276575454 /nfs/dbraw/zinc/57/54/54/1276575454.db2.gz DHYIKOJUHOSUEY-CYBMUJFWSA-N 2 0 370.461 0.428 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579014946 1276589250 /nfs/dbraw/zinc/58/92/50/1276589250.db2.gz UUSZGGRFPJRWFN-JKSUJKDBSA-N 2 0 366.510 0.678 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCOCC1 ZINC001579014838 1276590411 /nfs/dbraw/zinc/59/04/11/1276590411.db2.gz SMVVZJYPUIYNBF-GASCZTMLSA-N 2 0 352.483 0.288 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001579021265 1276600034 /nfs/dbraw/zinc/60/00/34/1276600034.db2.gz LJDQCBXQSLYUOC-GJZGRUSLSA-N 2 0 359.478 0.702 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001579022228 1276600508 /nfs/dbraw/zinc/60/05/08/1276600508.db2.gz USCROJRZWLPDLO-HNNXBMFYSA-N 2 0 361.494 0.647 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001579022200 1276600721 /nfs/dbraw/zinc/60/07/21/1276600721.db2.gz TZDXUTNIUVWKJG-OWCLPIDISA-N 2 0 366.510 0.881 20 0 FCADRP COCC[N@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579027820 1276611031 /nfs/dbraw/zinc/61/10/31/1276611031.db2.gz QHJSQJKOFHTDGL-VKJFTORMSA-N 2 0 364.494 0.288 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH3+])C[C@H]1C ZINC001579038486 1276623401 /nfs/dbraw/zinc/62/34/01/1276623401.db2.gz GOAQXHMVZPYYEP-LSDHHAIUSA-N 2 0 374.493 0.487 20 0 FCADRP CO[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+](C)C(C)C)C[C@@H]1OC ZINC001579129485 1276819485 /nfs/dbraw/zinc/81/94/85/1276819485.db2.gz QJYAMCITTXGBMF-HRCADAONSA-N 2 0 366.510 0.893 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579247906 1277047417 /nfs/dbraw/zinc/04/74/17/1277047417.db2.gz LCXLOYLKFIHJMD-DLBZAZTESA-N 2 0 369.473 0.994 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579256374 1277052834 /nfs/dbraw/zinc/05/28/34/1277052834.db2.gz UUZOGMDIOLERTH-DLBZAZTESA-N 2 0 369.473 0.994 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC001579275513 1277082167 /nfs/dbraw/zinc/08/21/67/1277082167.db2.gz XIBAISZAXKLEBT-KRWDZBQOSA-N 2 0 358.442 0.927 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322753 1277137964 /nfs/dbraw/zinc/13/79/64/1277137964.db2.gz GOVZELKWXKUOKD-CZUORRHYSA-N 2 0 370.461 0.284 20 0 FCADRP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001579327273 1277152942 /nfs/dbraw/zinc/15/29/42/1277152942.db2.gz YWERNXJRRSFJPD-UHFFFAOYSA-N 2 0 358.450 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579331188 1277160735 /nfs/dbraw/zinc/16/07/35/1277160735.db2.gz AROJKIKMQBEMIL-AWEZNQCLSA-N 2 0 355.446 0.557 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331625 1277162789 /nfs/dbraw/zinc/16/27/89/1277162789.db2.gz DGHWAZNWCGJCTP-NEPJUHHUSA-N 2 0 361.475 0.570 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335035 1277173093 /nfs/dbraw/zinc/17/30/93/1277173093.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335164 1277174035 /nfs/dbraw/zinc/17/40/35/1277174035.db2.gz NLSOJRMLHURQSF-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339770 1277183756 /nfs/dbraw/zinc/18/37/56/1277183756.db2.gz LYJDMTSEHGKJHO-MCIONIFRSA-N 2 0 373.436 0.694 20 0 FCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579340255 1277184987 /nfs/dbraw/zinc/18/49/87/1277184987.db2.gz SFAZYVIFFVATNO-AWEZNQCLSA-N 2 0 369.473 0.851 20 0 FCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579340213 1277185976 /nfs/dbraw/zinc/18/59/76/1277185976.db2.gz QSVJXUYCSJFSDX-HNNXBMFYSA-N 2 0 369.473 0.851 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001579344248 1277194916 /nfs/dbraw/zinc/19/49/16/1277194916.db2.gz PNUXLFKMUCYWPL-UKRRQHHQSA-N 2 0 356.492 0.497 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344734 1277195003 /nfs/dbraw/zinc/19/50/03/1277195003.db2.gz RFNQRFIXWWPWGJ-OLZOCXBDSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344930 1277196790 /nfs/dbraw/zinc/19/67/90/1277196790.db2.gz IMUVCEKQZKKKFI-ZIAGYGMSSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346539 1277198367 /nfs/dbraw/zinc/19/83/67/1277198367.db2.gz RJTCDBOIQNBYQF-HOCLYGCPSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353357 1277212178 /nfs/dbraw/zinc/21/21/78/1277212178.db2.gz JUVRKMWAFFEXDQ-NVXWUHKLSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353134 1277212300 /nfs/dbraw/zinc/21/23/00/1277212300.db2.gz DYAYRPFZUYQMKP-KRWDZBQOSA-N 2 0 369.473 0.995 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361589 1277238809 /nfs/dbraw/zinc/23/88/09/1277238809.db2.gz OUYPRTDVJYQESS-GDBMZVCRSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363130 1277241425 /nfs/dbraw/zinc/24/14/25/1277241425.db2.gz WEJFFNGFEXQNMM-IIAWOOMASA-N 2 0 373.436 0.837 20 0 FCADRP C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001579490251 1277402587 /nfs/dbraw/zinc/40/25/87/1277402587.db2.gz MFEPWBJTSDUODL-GJZGRUSLSA-N 2 0 352.483 0.158 20 0 FCADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646674 1277714954 /nfs/dbraw/zinc/71/49/54/1277714954.db2.gz OWWHJBWLBPHHJV-ZWKOTPCHSA-N 2 0 357.502 0.994 20 0 FCADRP Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2([NH3+])COC2)n1 ZINC001579749015 1277857247 /nfs/dbraw/zinc/85/72/47/1277857247.db2.gz HPOHSVSHOWEPLC-UHFFFAOYSA-N 2 0 371.489 0.907 20 0 FCADRP COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580014790 1277990744 /nfs/dbraw/zinc/99/07/44/1277990744.db2.gz JRIJJHBKAKZMMA-LBPRGKRZSA-N 2 0 361.450 0.421 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC001580222543 1278045988 /nfs/dbraw/zinc/04/59/88/1278045988.db2.gz XBVSWOPULKVCAU-HOTGVXAUSA-N 2 0 353.511 0.781 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580274111 1278068589 /nfs/dbraw/zinc/06/85/89/1278068589.db2.gz LALZGBIRCIWVNV-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP [NH3+]C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCCC2)CCO1 ZINC001580274660 1278069467 /nfs/dbraw/zinc/06/94/67/1278069467.db2.gz BCGDXRKHSDPKTG-OAHLLOKOSA-N 2 0 359.478 0.923 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580280023 1278080724 /nfs/dbraw/zinc/08/07/24/1278080724.db2.gz QVPRUOBWDMTVCJ-SUMWQHHRSA-N 2 0 369.473 0.803 20 0 FCADRP O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001580869806 1279073274 /nfs/dbraw/zinc/07/32/74/1279073274.db2.gz JXRMZECXDAUKMC-IAGOWNOFSA-N 2 0 353.488 0.425 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943265 1279151256 /nfs/dbraw/zinc/15/12/56/1279151256.db2.gz BQQRPPLAXCQNHI-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955489 1279159144 /nfs/dbraw/zinc/15/91/44/1279159144.db2.gz TVNUBTLFBZLMOX-AWEZNQCLSA-N 2 0 372.477 0.947 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961622 1279165509 /nfs/dbraw/zinc/16/55/09/1279165509.db2.gz KQRQYAXZUUBRFS-ZDUSSCGKSA-N 2 0 358.450 0.605 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972688 1279173174 /nfs/dbraw/zinc/17/31/74/1279173174.db2.gz YLVMOBGSGXVSLA-CQSZACIVSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974785 1279174406 /nfs/dbraw/zinc/17/44/06/1279174406.db2.gz URMRTBMNZVZUQZ-KBPBESRZSA-N 2 0 368.445 0.455 20 0 FCADRP Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580986823 1279183251 /nfs/dbraw/zinc/18/32/51/1279183251.db2.gz CWRBKYKRFPMUMU-STQMWFEESA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988045 1279186857 /nfs/dbraw/zinc/18/68/57/1279186857.db2.gz PFTCFCVZSAAECK-GFCCVEGCSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988775 1279188443 /nfs/dbraw/zinc/18/84/43/1279188443.db2.gz URQHAOMJPZKJDO-BLLLJJGKSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992796 1279196440 /nfs/dbraw/zinc/19/64/40/1279196440.db2.gz AXLRLBOMJITDGO-CVEARBPZSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)CCC[NH+](C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992838 1279196749 /nfs/dbraw/zinc/19/67/49/1279196749.db2.gz CBFJOKBSOYCDGK-INIZCTEOSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992906 1279197618 /nfs/dbraw/zinc/19/76/18/1279197618.db2.gz BFCPOSDYKCXPQV-GFCCVEGCSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996036 1279208156 /nfs/dbraw/zinc/20/81/56/1279208156.db2.gz UNWMVTHAVOYNQF-LBPRGKRZSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002674 1279218698 /nfs/dbraw/zinc/21/86/98/1279218698.db2.gz UXQJGHVQWDVESS-OLZOCXBDSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003897 1279220430 /nfs/dbraw/zinc/22/04/30/1279220430.db2.gz GWCBKGKYLIJSKL-CQSZACIVSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005801 1279224293 /nfs/dbraw/zinc/22/42/93/1279224293.db2.gz DKANLFLALOCYBQ-DZGCQCFKSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024139 1279254697 /nfs/dbraw/zinc/25/46/97/1279254697.db2.gz BMKRDKOKAIGMPA-LBPRGKRZSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024267 1279255307 /nfs/dbraw/zinc/25/53/07/1279255307.db2.gz DSJPHWJELQFILA-LBPRGKRZSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026424 1279259372 /nfs/dbraw/zinc/25/93/72/1279259372.db2.gz GNDZCAWTULPXEU-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP Cc1cc(NCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028298 1279264956 /nfs/dbraw/zinc/26/49/56/1279264956.db2.gz PCWWXMINZRYCMI-KBPBESRZSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581037470 1279272949 /nfs/dbraw/zinc/27/29/49/1279272949.db2.gz CYROIPDYJJCLNE-OKILXGFUSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039305 1279278257 /nfs/dbraw/zinc/27/82/57/1279278257.db2.gz SKBUMQSFFGNHRB-JOCQHMNTSA-N 2 0 370.461 0.535 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001715202436 1287346902 /nfs/dbraw/zinc/34/69/02/1287346902.db2.gz UICGNGZOJLSHTM-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318342 1287353039 /nfs/dbraw/zinc/35/30/39/1287353039.db2.gz GUEWSQHYTGDXHS-KGLIPLIRSA-N 2 0 372.477 0.721 20 0 FCADRP CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001716726332 1287388564 /nfs/dbraw/zinc/38/85/64/1287388564.db2.gz GZMPSBRQIZXSSU-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001603493078 1287390630 /nfs/dbraw/zinc/39/06/30/1287390630.db2.gz DFMHVYPBSGLPBV-JHJVBQTASA-N 2 0 358.450 0.331 20 0 FCADRP Cc1nccnc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717318817 1287418409 /nfs/dbraw/zinc/41/84/09/1287418409.db2.gz KHMZQUOMLOHPJP-HZPDHXFCSA-N 2 0 361.490 0.568 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582098756 1281054267 /nfs/dbraw/zinc/05/42/67/1281054267.db2.gz XWQFDHLPWONDCQ-CQSZACIVSA-N 2 0 370.461 0.430 20 0 FCADRP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582099395 1281055388 /nfs/dbraw/zinc/05/53/88/1281055388.db2.gz QHBLEJZBBUTZKD-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001718181776 1287470018 /nfs/dbraw/zinc/47/00/18/1287470018.db2.gz GIXPOGLZZIGZCC-ARFHVFGLSA-N 2 0 350.507 0.918 20 0 FCADRP CCN(CCCNC(=O)C[NH+]1CCCC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001604296737 1287599724 /nfs/dbraw/zinc/59/97/24/1287599724.db2.gz KHULEQUZZZQFAW-UHFFFAOYSA-N 2 0 372.477 0.999 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)NC(=O)NCC(F)(F)F ZINC001642589419 1283027082 /nfs/dbraw/zinc/02/70/82/1283027082.db2.gz JVIVEVLIACPFOD-UHFFFAOYSA-N 2 0 367.416 0.334 20 0 FCADRP C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001589826960 1283064163 /nfs/dbraw/zinc/06/41/63/1283064163.db2.gz MYIGUNKBHFXVLU-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001589849911 1283084106 /nfs/dbraw/zinc/08/41/06/1283084106.db2.gz WJTMGKBKNVBNMC-AWEZNQCLSA-N 2 0 372.477 0.421 20 0 FCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589912648 1283119737 /nfs/dbraw/zinc/11/97/37/1283119737.db2.gz KMTRZRBKUFKFJI-CHWSQXEVSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCC[NH+](C)C ZINC001590174856 1283279134 /nfs/dbraw/zinc/27/91/34/1283279134.db2.gz IFHKPCMGIFQPGG-UKRRQHHQSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001590210930 1283339903 /nfs/dbraw/zinc/33/99/03/1283339903.db2.gz WTQGUPCMRBPJMP-JSGCOSHPSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271265 1283398658 /nfs/dbraw/zinc/39/86/58/1283398658.db2.gz YSTCJPXHDDSQEX-GWQWAINWSA-N 2 0 369.473 0.971 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001683257096 1283915291 /nfs/dbraw/zinc/91/52/91/1283915291.db2.gz BDRIIKWWZQFFRW-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001683482011 1284001416 /nfs/dbraw/zinc/00/14/16/1284001416.db2.gz YCISAFUHWNCBSJ-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173345 1284257510 /nfs/dbraw/zinc/25/75/10/1284257510.db2.gz SHPVENWTUBDCRZ-DOMZBBRYSA-N 2 0 370.461 0.284 20 0 FCADRP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001591173510 1284259193 /nfs/dbraw/zinc/25/91/93/1284259193.db2.gz XQDHAAJWPPWIJY-CYBMUJFWSA-N 2 0 361.425 0.506 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175092 1284261621 /nfs/dbraw/zinc/26/16/21/1284261621.db2.gz GOOIBNLHWDDMRA-YPQKKHBXSA-N 2 0 355.446 0.580 20 0 FCADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001591182304 1284282336 /nfs/dbraw/zinc/28/23/36/1284282336.db2.gz CHTUZMQKIUMRMK-UHFFFAOYSA-N 2 0 353.434 0.970 20 0 FCADRP C[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[NH+](C)C1 ZINC001591184814 1284293819 /nfs/dbraw/zinc/29/38/19/1284293819.db2.gz PMHPVOWYDCNYDW-LSDHHAIUSA-N 2 0 360.462 0.880 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187534 1284300690 /nfs/dbraw/zinc/30/06/90/1284300690.db2.gz YFDLOCFGRINKFH-KZSQQDEKSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591187529 1284301001 /nfs/dbraw/zinc/30/10/01/1284301001.db2.gz XXRDTLXPRRGNJT-XIRDDKMYSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001591187854 1284302062 /nfs/dbraw/zinc/30/20/62/1284302062.db2.gz ULYCETAKAWBFEW-HNNXBMFYSA-N 2 0 361.425 0.696 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001719098857 1287723292 /nfs/dbraw/zinc/72/32/92/1287723292.db2.gz SSTSFDGGKJWMES-HUUCEWRRSA-N 2 0 365.478 0.036 20 0 FCADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC001591599421 1284762672 /nfs/dbraw/zinc/76/26/72/1284762672.db2.gz JBTLQCLSJOWUAB-CQSZACIVSA-N 2 0 359.434 0.175 20 0 FCADRP COc1ccc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC001591599935 1284763612 /nfs/dbraw/zinc/76/36/12/1284763612.db2.gz VIABXFGXARWTDZ-UHFFFAOYSA-N 2 0 373.461 0.423 20 0 FCADRP Cc1cc(N(C)CCNC(=O)CCCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591994930 1285048040 /nfs/dbraw/zinc/04/80/40/1285048040.db2.gz LJYALRIGKSGGFE-UHFFFAOYSA-N 2 0 360.466 0.854 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996460 1285049814 /nfs/dbraw/zinc/04/98/14/1285049814.db2.gz NVFORVPREGUZQO-CQSZACIVSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592036318 1285080417 /nfs/dbraw/zinc/08/04/17/1285080417.db2.gz JQUZMCHKEABLJT-HSBZDZAISA-N 2 0 370.461 0.345 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046585 1285088583 /nfs/dbraw/zinc/08/85/83/1285088583.db2.gz CNTNNXIDLQYYPI-HNNXBMFYSA-N 2 0 360.466 0.496 20 0 FCADRP Cc1cc(NCCNC(=O)CC[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049517 1285094640 /nfs/dbraw/zinc/09/46/40/1285094640.db2.gz XUJRLRSOOZCJSC-CYBMUJFWSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(NCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049216 1285095381 /nfs/dbraw/zinc/09/53/81/1285095381.db2.gz LBLOPJGRJCTXGA-CJNGLKHVSA-N 2 0 370.461 0.537 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001604803884 1287786722 /nfs/dbraw/zinc/78/67/22/1287786722.db2.gz OSRDTQBQNZGULY-KRWDZBQOSA-N 2 0 369.473 0.995 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001592748191 1285669050 /nfs/dbraw/zinc/66/90/50/1285669050.db2.gz KOKVYVWQBQNHHI-OAHLLOKOSA-N 2 0 370.461 0.574 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001735924176 1289037547 /nfs/dbraw/zinc/03/75/47/1289037547.db2.gz NAPFRHDYTHWPLX-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)C12CCC[NH+](CCC1)C2 ZINC001593076146 1285971703 /nfs/dbraw/zinc/97/17/03/1285971703.db2.gz KQNWBFXUODPPKW-UHFFFAOYSA-N 2 0 370.461 0.478 20 0 FCADRP O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593086719 1285986826 /nfs/dbraw/zinc/98/68/26/1285986826.db2.gz YPXRHBKTAGPZIG-MRXNPFEDSA-N 2 0 355.446 0.414 20 0 FCADRP O=C(NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001593089275 1285989048 /nfs/dbraw/zinc/98/90/48/1285989048.db2.gz SWFMHZSVYOTNFR-INIZCTEOSA-N 2 0 355.446 0.414 20 0 FCADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284583 1289050340 /nfs/dbraw/zinc/05/03/40/1289050340.db2.gz UXILANTZKMGYKJ-HOCLYGCPSA-N 2 0 360.462 0.928 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001704942276 1286325081 /nfs/dbraw/zinc/32/50/81/1286325081.db2.gz RLPQBYQJUFGRQC-DJIMGWMZSA-N 2 0 368.522 0.040 20 0 FCADRP CC[C@@H](C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1)OC ZINC001707178204 1286491627 /nfs/dbraw/zinc/49/16/27/1286491627.db2.gz IISCOMBKECACFG-VHDGCEQUSA-N 2 0 365.478 0.653 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CC[NH+]3CCCC3)C2)CC1 ZINC001710287511 1287171058 /nfs/dbraw/zinc/17/10/58/1287171058.db2.gz BIUBUITYYJIJEF-GOSISDBHSA-N 2 0 361.538 0.899 20 0 FCADRP C[NH+]1CCC2(CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001604855321 1287799655 /nfs/dbraw/zinc/79/96/55/1287799655.db2.gz DBUXUFOEMBCNMH-OAHLLOKOSA-N 2 0 355.446 0.811 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001605431928 1287960544 /nfs/dbraw/zinc/96/05/44/1287960544.db2.gz PWTKTDXEBHFUEY-CZUORRHYSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001605445480 1287965017 /nfs/dbraw/zinc/96/50/17/1287965017.db2.gz RBSCLLSWIAYNGE-KBPBESRZSA-N 2 0 372.477 0.887 20 0 FCADRP Cc1cc(-c2nn[nH]n2)ccc1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001605542325 1287993423 /nfs/dbraw/zinc/99/34/23/1287993423.db2.gz YIQYLKANFKTARQ-UHFFFAOYSA-N 2 0 367.461 0.781 20 0 FCADRP Cc1cc(N(C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687725 1288050760 /nfs/dbraw/zinc/05/07/60/1288050760.db2.gz XQVJTZNMXVVAMF-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(N(C)CCN(C)C(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688477 1288052219 /nfs/dbraw/zinc/05/22/19/1288052219.db2.gz QRAHICGRAPVGTJ-UHFFFAOYSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732814 1288065056 /nfs/dbraw/zinc/06/50/56/1288065056.db2.gz VRISCYYGSFDJOT-KGLIPLIRSA-N 2 0 370.461 0.347 20 0 FCADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nncn1C ZINC001724976736 1288457182 /nfs/dbraw/zinc/45/71/82/1288457182.db2.gz NMKQHTJPBRNKHB-RRFJBIMHSA-N 2 0 364.494 0.159 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(=O)Nc3ccon3)CCCC2)CC[N@@H+]1C ZINC001732228900 1288578809 /nfs/dbraw/zinc/57/88/09/1288578809.db2.gz GTDAYQJNHXWGDB-ZIAGYGMSSA-N 2 0 363.462 0.972 20 0 FCADRP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001607096080 1288660151 /nfs/dbraw/zinc/66/01/51/1288660151.db2.gz AANRYCPENLNRHE-IAGOWNOFSA-N 2 0 372.473 0.928 20 0 FCADRP c1cc(-c2nn[nH]n2)cc(C2([NH2+]C[C@@H]3CC4(C[NH2+]C4)CO3)CCOCC2)c1 ZINC001607113872 1288668193 /nfs/dbraw/zinc/66/81/93/1288668193.db2.gz XXIJFGNLNWGIFF-INIZCTEOSA-N 2 0 370.457 0.841 20 0 FCADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609227815 1288999028 /nfs/dbraw/zinc/99/90/28/1288999028.db2.gz OPCBBQZUGXUEPZ-INIZCTEOSA-N 2 0 360.462 0.928 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609228122 1289001239 /nfs/dbraw/zinc/00/12/39/1289001239.db2.gz BFALCDIQNISVFG-YJBOKZPZSA-N 2 0 373.505 0.763 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609228119 1289001244 /nfs/dbraw/zinc/00/12/44/1289001244.db2.gz BFALCDIQNISVFG-CRAIPNDOSA-N 2 0 373.505 0.763 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001691983310 1289358060 /nfs/dbraw/zinc/35/80/60/1289358060.db2.gz XIDFHSAAVDXZOX-RYQLBKOJSA-N 2 0 363.506 0.561 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001692084025 1289389803 /nfs/dbraw/zinc/38/98/03/1289389803.db2.gz RPCQMFPWLZNUHD-MCIONIFRSA-N 2 0 355.483 0.128 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001692280704 1289441594 /nfs/dbraw/zinc/44/15/94/1289441594.db2.gz BEWJHLQZOFXWIE-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001692391100 1289455898 /nfs/dbraw/zinc/45/58/98/1289455898.db2.gz RAYXUHOWOBHEEF-IKGGRYGDSA-N 2 0 365.522 0.801 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001698720670 1289533083 /nfs/dbraw/zinc/53/30/83/1289533083.db2.gz CAOMJVKVNFRDKV-OIISXLGYSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001698748774 1289534993 /nfs/dbraw/zinc/53/49/93/1289534993.db2.gz PJRRZKISUNFLCT-IIAWOOMASA-N 2 0 359.536 0.493 20 0 FCADRP C[C@H](C[NH2+]CC(=O)NCc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699363376 1289551162 /nfs/dbraw/zinc/55/11/62/1289551162.db2.gz QFYTYBRJMYDBIT-CKEIUWERSA-N 2 0 364.465 0.876 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)Nc2nncs2)C2CC2)CC[N@@H+]1C ZINC001699576751 1289557862 /nfs/dbraw/zinc/55/78/62/1289557862.db2.gz PCHAQJJUPDWURK-RTXFEEFZSA-N 2 0 366.491 0.301 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699751220 1289565540 /nfs/dbraw/zinc/56/55/40/1289565540.db2.gz ODWRXOXEJOALQU-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP COC(=O)c1cnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC001615789005 1289761257 /nfs/dbraw/zinc/76/12/57/1289761257.db2.gz YOIIXRZBCKWHFK-UHFFFAOYSA-N 2 0 351.451 0.609 20 0 FCADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(S(N)(=O)=O)o3)c2)CC1 ZINC001621030421 1290025976 /nfs/dbraw/zinc/02/59/76/1290025976.db2.gz GKCIVCUVCMZWSH-UHFFFAOYSA-N 2 0 351.432 0.686 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001739640198 1290281103 /nfs/dbraw/zinc/28/11/03/1290281103.db2.gz WXHKMBXUDLGFEH-SJORKVTESA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001754864456 1290635773 /nfs/dbraw/zinc/63/57/73/1290635773.db2.gz BOJONYIPXMHOJD-BGTYHANMSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC1 ZINC001756970445 1290673039 /nfs/dbraw/zinc/67/30/39/1290673039.db2.gz LLPFHKZHGFAXLY-JKSUJKDBSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC001756969918 1290673679 /nfs/dbraw/zinc/67/36/79/1290673679.db2.gz YGLXPPFORKOOTN-LUKYLMHMSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCCC1 ZINC001756987353 1290679508 /nfs/dbraw/zinc/67/95/08/1290679508.db2.gz ULESUTYBSAUGMT-OWCLPIDISA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001757016823 1290692801 /nfs/dbraw/zinc/69/28/01/1290692801.db2.gz OBNPNJCHADAPJW-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1 ZINC001645241413 1291012169 /nfs/dbraw/zinc/01/21/69/1291012169.db2.gz MTXAYZYNRMYYIO-INIZCTEOSA-N 2 0 354.495 0.236 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001653845140 1291373003 /nfs/dbraw/zinc/37/30/03/1291373003.db2.gz JHVYRNLRLQLEAM-HHXXYDBFSA-N 2 0 361.486 0.441 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001656559154 1291546204 /nfs/dbraw/zinc/54/62/04/1291546204.db2.gz KTJYUMCWDDPANY-ZBFHGGJFSA-N 2 0 370.457 0.844 20 0 FCADRP CCCc1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001667827511 1291944582 /nfs/dbraw/zinc/94/45/82/1291944582.db2.gz TZZMOSWZYCUYBL-QLFBSQMISA-N 2 0 352.479 0.842 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001685620536 1292575264 /nfs/dbraw/zinc/57/52/64/1292575264.db2.gz ZJIDFVTUWDEJNC-RCCFBDPRSA-N 2 0 368.522 0.510 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001688875933 1294542610 /nfs/dbraw/zinc/54/26/10/1294542610.db2.gz IWLWVTNRMKZHGG-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP Cn1cncc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001689017108 1294567797 /nfs/dbraw/zinc/56/77/97/1294567797.db2.gz CJFZUMAMQLLSQF-LSDHHAIUSA-N 2 0 362.478 0.252 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001689019129 1294569937 /nfs/dbraw/zinc/56/99/37/1294569937.db2.gz HTEWSOFONSNDAT-YESZJQIVSA-N 2 0 350.507 0.873 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001689067135 1294591013 /nfs/dbraw/zinc/59/10/13/1294591013.db2.gz QPDCWKQUFPECNJ-BZUAXINKSA-N 2 0 370.538 0.694 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001689099948 1294617073 /nfs/dbraw/zinc/61/70/73/1294617073.db2.gz LFXZOTYWOPYJHN-ILXRZTDVSA-N 2 0 367.494 0.001 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224319 1294681529 /nfs/dbraw/zinc/68/15/29/1294681529.db2.gz HOYQVIJVWVQHMD-IXDOHACOSA-N 2 0 371.547 0.686 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001689295371 1294718221 /nfs/dbraw/zinc/71/82/21/1294718221.db2.gz CJTOARJEKVGYSX-KFWWJZLASA-N 2 0 370.469 0.394 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@H](O)COCC(F)(F)F ZINC001689314585 1294738269 /nfs/dbraw/zinc/73/82/69/1294738269.db2.gz CHIAAEXRPOPJDM-AGIUHOORSA-N 2 0 355.401 0.457 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCOCC2CC2)[C@@H]1C ZINC001689336401 1294759438 /nfs/dbraw/zinc/75/94/38/1294759438.db2.gz MNASBHGYWZEFFB-NUJGCVRESA-N 2 0 353.507 0.960 20 0 FCADRP 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 ZINC001690276711 1294862180 /nfs/dbraw/zinc/86/21/80/1294862180.db2.gz NFMVNKQGGGMZAO-AIEDFZFUSA-N 2 0 367.494 0.186 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COCc3ccco3)C2)CC[N@@H+]1C ZINC001690276387 1294862354 /nfs/dbraw/zinc/86/23/54/1294862354.db2.gz AWHZVDJBOPBKHD-XSDHEKCYSA-N 2 0 365.474 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001690405726 1294867336 /nfs/dbraw/zinc/86/73/36/1294867336.db2.gz OLXHYCRNLKWPRM-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164738745 720628137 /nfs/dbraw/zinc/62/81/37/720628137.db2.gz DKKLSEDEHZKITB-CABCVRRESA-N 2 0 355.446 0.983 20 0 FCADRP c1ncc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164746236 720652138 /nfs/dbraw/zinc/65/21/38/720652138.db2.gz WJQHGRDUMBRSQH-KGLIPLIRSA-N 2 0 353.430 0.254 20 0 FCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@@H]2C1 ZINC001164856663 720893198 /nfs/dbraw/zinc/89/31/98/720893198.db2.gz GDSNEAGJKANCFA-WBVHZDCISA-N 2 0 361.490 0.645 20 0 FCADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866619 721111142 /nfs/dbraw/zinc/11/11/42/721111142.db2.gz UGOSRUDTKNCJEV-QZTJIDSGSA-N 2 0 366.469 0.997 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@H]3C2)cn1 ZINC001164767976 721248345 /nfs/dbraw/zinc/24/83/45/721248345.db2.gz XIROHAVXLXSWKK-NVXWUHKLSA-N 2 0 353.474 0.855 20 0 FCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883614 721400525 /nfs/dbraw/zinc/40/05/25/721400525.db2.gz BGAJPIIEHGNGMQ-HKUYNNGSSA-N 2 0 360.506 0.701 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001165034104 721885326 /nfs/dbraw/zinc/88/53/26/721885326.db2.gz AUGKIXFCKSGTAH-GFCCVEGCSA-N 2 0 353.492 0.099 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071059938 837721374 /nfs/dbraw/zinc/72/13/74/837721374.db2.gz KOTHSEHHNDOYDZ-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCS(=O)(=O)C2)C3)CC[N@@H+]1C ZINC001072751798 837743514 /nfs/dbraw/zinc/74/35/14/837743514.db2.gz FCDKIMMTEGKFFM-BZUAXINKSA-N 2 0 369.531 0.296 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001099327532 844025756 /nfs/dbraw/zinc/02/57/56/844025756.db2.gz BKUZTJTURBDIKY-IACUBPJLSA-N 2 0 367.412 0.457 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099344037 844036707 /nfs/dbraw/zinc/03/67/07/844036707.db2.gz WEUXVDZSWUWQDB-CHWSQXEVSA-N 2 0 360.384 0.353 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100345033 844052102 /nfs/dbraw/zinc/05/21/02/844052102.db2.gz NFEVEEOSOXRIEJ-PRLABOORSA-N 2 0 359.536 0.636 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243585 844117259 /nfs/dbraw/zinc/11/72/59/844117259.db2.gz OHJSPJNKKGUERU-NNFUDEMPSA-N 2 0 350.507 0.632 20 0 FCADRP COC(=O)CCCS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000390375398 836056741 /nfs/dbraw/zinc/05/67/41/836056741.db2.gz SDHMQLMTKRUNBV-UHFFFAOYSA-N 2 0 351.513 0.475 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101339851 844151320 /nfs/dbraw/zinc/15/13/20/844151320.db2.gz JFIWPSGAMDCZJF-BMFAXAFESA-N 2 0 353.507 0.506 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101345087 844153486 /nfs/dbraw/zinc/15/34/86/844153486.db2.gz STTRQNHVDIQNME-QAPCUYQASA-N 2 0 351.495 0.134 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101350055 844155135 /nfs/dbraw/zinc/15/51/35/844155135.db2.gz SYFKNFGWZFDNSW-APWZRJJASA-N 2 0 350.507 0.587 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@]2(C)C1 ZINC001101352354 844156311 /nfs/dbraw/zinc/15/63/11/844156311.db2.gz BXCYYHZYWMHBLY-LMMKCTJWSA-N 2 0 353.507 0.914 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368820 844163238 /nfs/dbraw/zinc/16/32/38/844163238.db2.gz PEGPFBDDMOCMGR-VCBZYWHSSA-N 2 0 350.507 0.633 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430252 844183830 /nfs/dbraw/zinc/18/38/30/844183830.db2.gz WAWDYOKBLFGITD-FCEWJHQRSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@]2(C)C1 ZINC001101432244 844184068 /nfs/dbraw/zinc/18/40/68/844184068.db2.gz ISAIKEDAMBQNET-SCTDSRPQSA-N 2 0 353.507 0.772 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443661 844187240 /nfs/dbraw/zinc/18/72/40/844187240.db2.gz NIYNLWCKUFKUPT-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001062713958 836742594 /nfs/dbraw/zinc/74/25/94/836742594.db2.gz CYONFKBWEVGURG-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC2)CC[N@@H+]1C ZINC001063558930 836775019 /nfs/dbraw/zinc/77/50/19/836775019.db2.gz WTGUPEAFSIDRHR-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476395 844199953 /nfs/dbraw/zinc/19/99/53/844199953.db2.gz QPAGBHVWYMPIDI-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065205271 836820546 /nfs/dbraw/zinc/82/05/46/836820546.db2.gz BHNVWYABWGSSOP-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065212574 836823210 /nfs/dbraw/zinc/82/32/10/836823210.db2.gz QAJFGKHZRQRMKH-HRCADAONSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815813 844279829 /nfs/dbraw/zinc/27/98/29/844279829.db2.gz UPBCBDGYYZNKHT-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014252 838216784 /nfs/dbraw/zinc/21/67/84/838216784.db2.gz LUDSUMAUCXFPMQ-IAGOWNOFSA-N 2 0 351.495 0.656 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976142 844357145 /nfs/dbraw/zinc/35/71/45/844357145.db2.gz KRSDQCZCYDXHBV-OIISXLGYSA-N 2 0 371.547 0.447 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219296 838821883 /nfs/dbraw/zinc/82/18/83/838821883.db2.gz PIOFKTXBYWQMPH-GVDBMIGSSA-N 2 0 351.491 0.593 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102015195 844373690 /nfs/dbraw/zinc/37/36/90/844373690.db2.gz ADPLBBPQHGYDCU-BZUAXINKSA-N 2 0 356.486 0.583 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015891 844375503 /nfs/dbraw/zinc/37/55/03/844375503.db2.gz URYWWTRKVNUFLE-OAGGEKHMSA-N 2 0 358.502 0.829 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102040489 844391537 /nfs/dbraw/zinc/39/15/37/844391537.db2.gz LLQHTYMSJVSURO-KZNAEPCWSA-N 2 0 355.523 0.657 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047325 844394679 /nfs/dbraw/zinc/39/46/79/844394679.db2.gz CAQZXGRNLWHVPF-SIIHOXLZSA-N 2 0 350.507 0.632 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077779215 839153348 /nfs/dbraw/zinc/15/33/48/839153348.db2.gz GTGWGEZTTRVDQC-BRWVUGGUSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001102078839 844406924 /nfs/dbraw/zinc/40/69/24/844406924.db2.gz LFKQJNGYIZCCBU-IAGOWNOFSA-N 2 0 353.507 0.555 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102085858 844407792 /nfs/dbraw/zinc/40/77/92/844407792.db2.gz FJBOJTUHCKTXDB-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171462 844434126 /nfs/dbraw/zinc/43/41/26/844434126.db2.gz YXIVGCIUKLOWJB-QCZOYZIOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC001078405038 839457870 /nfs/dbraw/zinc/45/78/70/839457870.db2.gz CFUCLIMVKKJYHR-VNHYZAJKSA-N 2 0 353.492 0.585 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213404 844445637 /nfs/dbraw/zinc/44/56/37/844445637.db2.gz DWGGFDOJOODUHC-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213405 844446357 /nfs/dbraw/zinc/44/63/57/844446357.db2.gz DWGGFDOJOODUHC-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275973 844456358 /nfs/dbraw/zinc/45/63/58/844456358.db2.gz ATNIENVYWCHGBR-LTIDMASMSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102294457 844459722 /nfs/dbraw/zinc/45/97/22/844459722.db2.gz ZARKKDIDVYFZJE-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289837 844460156 /nfs/dbraw/zinc/46/01/56/844460156.db2.gz TVXYSFXPZRLPDZ-BZUAXINKSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254694 839692457 /nfs/dbraw/zinc/69/24/57/839692457.db2.gz BWQVBPKKPLJJSQ-HUUCEWRRSA-N 2 0 351.495 0.323 20 0 FCADRP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080380226 839714434 /nfs/dbraw/zinc/71/44/34/839714434.db2.gz LHGSWOZFLOCGEG-GDBMZVCRSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080449492 839726236 /nfs/dbraw/zinc/72/62/36/839726236.db2.gz NDQSCNGASDMPCQ-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001102330147 844468026 /nfs/dbraw/zinc/46/80/26/844468026.db2.gz FIQHKGNYTQBIJQ-BZUAXINKSA-N 2 0 353.511 0.282 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368232 844476779 /nfs/dbraw/zinc/47/67/79/844476779.db2.gz LYRGCYZNDZHPFM-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368319 844478257 /nfs/dbraw/zinc/47/82/57/844478257.db2.gz PNMPWGQKEFJVRS-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369842 844478349 /nfs/dbraw/zinc/47/83/49/844478349.db2.gz IHXCOAAFIYJHHI-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375452 844480740 /nfs/dbraw/zinc/48/07/40/844480740.db2.gz KHBGRBNPQLXFCA-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001081672831 839994567 /nfs/dbraw/zinc/99/45/67/839994567.db2.gz LXMBIEJQIRJYAO-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082559727 840465338 /nfs/dbraw/zinc/46/53/38/840465338.db2.gz NRICCGICUIFNBZ-XYPHTWIQSA-N 2 0 371.547 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082561608 840466165 /nfs/dbraw/zinc/46/61/65/840466165.db2.gz DZQVWALNKUHMTG-IJEWVQPXSA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082561868 840466747 /nfs/dbraw/zinc/46/67/47/840466747.db2.gz XDMJXJMWGMCVOL-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082592774 840480127 /nfs/dbraw/zinc/48/01/27/840480127.db2.gz WWMYVMRSHREAHK-UKRRQHHQSA-N 2 0 367.519 0.833 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082596274 840481949 /nfs/dbraw/zinc/48/19/49/840481949.db2.gz CJDXBQXKHHJZOG-DJIMGWMZSA-N 2 0 371.547 0.732 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513672 844545213 /nfs/dbraw/zinc/54/52/13/844545213.db2.gz WJFBHWXIFDNSCB-OAGGEKHMSA-N 2 0 356.511 0.293 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514848 844545765 /nfs/dbraw/zinc/54/57/65/844545765.db2.gz QFSCPOOZJNSOJC-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082920105 840601997 /nfs/dbraw/zinc/60/19/97/840601997.db2.gz QNQBMWDEBXILJZ-IXDOHACOSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001082944022 840616684 /nfs/dbraw/zinc/61/66/84/840616684.db2.gz ZSJUYZXQYHNQRD-JFIYKMOQSA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)C1=O ZINC001082941914 840616960 /nfs/dbraw/zinc/61/69/60/840616960.db2.gz UNFYRWBMSSFNSM-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001082944023 840617050 /nfs/dbraw/zinc/61/70/50/840617050.db2.gz ZSJUYZXQYHNQRD-NUJGCVRESA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102577857 844572014 /nfs/dbraw/zinc/57/20/14/844572014.db2.gz ABNWIAITXFPHJE-OWCLPIDISA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578271 844572813 /nfs/dbraw/zinc/57/28/13/844572813.db2.gz TVBANOOWBYECNU-HYVNUMGLSA-N 2 0 350.507 0.491 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579205 844573431 /nfs/dbraw/zinc/57/34/31/844573431.db2.gz NESJFABOLSRBLY-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001083192904 840786455 /nfs/dbraw/zinc/78/64/55/840786455.db2.gz ULDQZLIPKZPSGU-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192425 840786610 /nfs/dbraw/zinc/78/66/10/840786610.db2.gz BCZXPJGVKCLTEA-BPQIPLTHSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@H](C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)CS(C)(=O)=O ZINC001102579357 844574429 /nfs/dbraw/zinc/57/44/29/844574429.db2.gz UCFFCAFGZIMMJI-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582966 844577104 /nfs/dbraw/zinc/57/71/04/844577104.db2.gz HFNUBONSWJFPGU-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001083275215 840855572 /nfs/dbraw/zinc/85/55/72/840855572.db2.gz SUWNLTOXHOWXJJ-OKZBNKHCSA-N 2 0 351.491 0.953 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083275434 840857072 /nfs/dbraw/zinc/85/70/72/840857072.db2.gz CQPDAIRVSRZVFQ-ZWKOTPCHSA-N 2 0 351.491 0.811 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596475 844586883 /nfs/dbraw/zinc/58/68/83/844586883.db2.gz HQWPEESEURWDFH-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601362 844591606 /nfs/dbraw/zinc/59/16/06/844591606.db2.gz ZSLQPUGWGFWWCZ-HZPDHXFCSA-N 2 0 361.552 0.836 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102600256 844592792 /nfs/dbraw/zinc/59/27/92/844592792.db2.gz WINHVSNXIPWBOO-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460412 841027662 /nfs/dbraw/zinc/02/76/62/841027662.db2.gz GESGXHKVDKPRCF-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612938 844601305 /nfs/dbraw/zinc/60/13/05/844601305.db2.gz DUTGHUHTZDZQEY-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083524680 841124394 /nfs/dbraw/zinc/12/43/94/841124394.db2.gz GERGEYNECADAIB-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563428 841172837 /nfs/dbraw/zinc/17/28/37/841172837.db2.gz PIOFKTXBYWQMPH-BBWFWOEESA-N 2 0 351.491 0.593 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563311 841173150 /nfs/dbraw/zinc/17/31/50/841173150.db2.gz JBJXEDPCUHXOIW-ZACQAIPSSA-N 2 0 351.491 0.593 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083695984 841325442 /nfs/dbraw/zinc/32/54/42/841325442.db2.gz DFWBUAZDHDLHHT-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083833045 841477666 /nfs/dbraw/zinc/47/76/66/841477666.db2.gz GTGWGEZTTRVDQC-ZACQAIPSSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1)OC ZINC001083937315 841581680 /nfs/dbraw/zinc/58/16/80/841581680.db2.gz XAOWWLXYVPEJNI-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833837 861219631 /nfs/dbraw/zinc/21/96/31/861219631.db2.gz RNXRHCWGCIKZTL-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877366 861240504 /nfs/dbraw/zinc/24/05/04/861240504.db2.gz AZSLYKDCILGPKX-LPHOPBHVSA-N 2 0 350.507 0.731 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879211 861243650 /nfs/dbraw/zinc/24/36/50/861243650.db2.gz OUKZEMLSFMIVDC-FUHWJXTLSA-N 2 0 371.547 0.687 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001085319674 842076633 /nfs/dbraw/zinc/07/66/33/842076633.db2.gz JLKCWFQQAQOZLM-KFWWJZLASA-N 2 0 350.463 0.150 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001086793737 842175253 /nfs/dbraw/zinc/17/52/53/842175253.db2.gz JIAUJWATWCWFOU-NWANDNLSSA-N 2 0 350.463 0.008 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087034915 842232588 /nfs/dbraw/zinc/23/25/88/842232588.db2.gz CYDORJIRKYZLNY-RBSFLKMASA-N 2 0 367.519 0.894 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087083423 842276698 /nfs/dbraw/zinc/27/66/98/842276698.db2.gz DQAJFUGGGQLPJL-ZMSDIMECSA-N 2 0 350.463 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087084733 842277261 /nfs/dbraw/zinc/27/72/61/842277261.db2.gz QGTXYAHZAHBRHM-VHDGCEQUSA-N 2 0 355.508 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087101122 842289061 /nfs/dbraw/zinc/28/90/61/842289061.db2.gz USQHBRCSVGSRPJ-USXIJHARSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001087101449 842291804 /nfs/dbraw/zinc/29/18/04/842291804.db2.gz LRGSPGLBEBKRRN-CGTJXYLNSA-N 2 0 353.507 0.818 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087578085 842361834 /nfs/dbraw/zinc/36/18/34/842361834.db2.gz ZWPAXPWSSCVQGR-WCXIOVBPSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087699955 842408378 /nfs/dbraw/zinc/40/83/78/842408378.db2.gz UFOWSUOKIYUMME-LUKYLMHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966760 842482696 /nfs/dbraw/zinc/48/26/96/842482696.db2.gz UDEJKQXXJLLRAS-OAGGEKHMSA-N 2 0 350.507 0.905 20 0 FCADRP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087992107 842492307 /nfs/dbraw/zinc/49/23/07/842492307.db2.gz DOCKFEISWDFDSH-RYRKJORJSA-N 2 0 351.491 0.402 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130300 842538481 /nfs/dbraw/zinc/53/84/81/842538481.db2.gz HJYWAUDCPIXTLU-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157841 842546672 /nfs/dbraw/zinc/54/66/72/842546672.db2.gz KBSWVJMRJLQKDR-SJORKVTESA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001088212677 842563006 /nfs/dbraw/zinc/56/30/06/842563006.db2.gz HVJPLIWEOGOCQB-SOLBZPMBSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001088835817 842690816 /nfs/dbraw/zinc/69/08/16/842690816.db2.gz PSRNKPKEKFVDGQ-VYDXJSESSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001088860720 842697458 /nfs/dbraw/zinc/69/74/58/842697458.db2.gz ZASIGNRNWLSHLT-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001089060759 842764389 /nfs/dbraw/zinc/76/43/89/842764389.db2.gz FLINFAOONMVICC-OWCLPIDISA-N 2 0 351.495 0.465 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089942259 842776044 /nfs/dbraw/zinc/77/60/44/842776044.db2.gz SDDDWIFNUYKPEY-IXDOHACOSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCCO)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089942258 842776210 /nfs/dbraw/zinc/77/62/10/842776210.db2.gz SDDDWIFNUYKPEY-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001091037297 842936002 /nfs/dbraw/zinc/93/60/02/842936002.db2.gz ISYNXBSIHQYWFU-LHUBUQBQSA-N 2 0 371.547 0.636 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001091038627 842936565 /nfs/dbraw/zinc/93/65/65/842936565.db2.gz BCUKMQZWOZIZBW-SJJHQCBESA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953567 843128357 /nfs/dbraw/zinc/12/83/57/843128357.db2.gz OISBAAPSIIYTGC-GGXPGOJBSA-N 2 0 350.507 0.585 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300489 843182348 /nfs/dbraw/zinc/18/23/48/843182348.db2.gz XJMKRIIIEAQKHQ-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658265 843269349 /nfs/dbraw/zinc/26/93/49/843269349.db2.gz NPFQVXJRRRAOJF-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306875 861403176 /nfs/dbraw/zinc/40/31/76/861403176.db2.gz GGHVYLNKSCTVDK-IEBWSBKVSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093292281 843421879 /nfs/dbraw/zinc/42/18/79/843421879.db2.gz UTHYFWMKJQOZFH-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094088637 843513686 /nfs/dbraw/zinc/51/36/86/843513686.db2.gz FHTAHTSKLFOFBT-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnns2)[C@H](C)C1 ZINC001094224370 843532038 /nfs/dbraw/zinc/53/20/38/843532038.db2.gz HIOMRCVNMSOIAM-QLFBSQMISA-N 2 0 367.519 0.691 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276438382 861450019 /nfs/dbraw/zinc/45/00/19/861450019.db2.gz SBPKHXDPPNLLLA-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001098371743 843911593 /nfs/dbraw/zinc/91/15/93/843911593.db2.gz FGPSAORTTOFMEM-JFIYKMOQSA-N 2 0 353.507 0.648 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083847 844697726 /nfs/dbraw/zinc/69/77/26/844697726.db2.gz LTALXOBTURMFER-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185626 844719052 /nfs/dbraw/zinc/71/90/52/844719052.db2.gz HSEYTEWPMDROQD-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438670 844759252 /nfs/dbraw/zinc/75/92/52/844759252.db2.gz VTZDEXFLQUQRKO-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103443984 844760839 /nfs/dbraw/zinc/76/08/39/844760839.db2.gz VNYPONMYEPLDNA-OAGGEKHMSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497564 844768361 /nfs/dbraw/zinc/76/83/61/844768361.db2.gz MIFUVJWHDFBWMJ-NVXWUHKLSA-N 2 0 352.523 0.881 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642081 844794120 /nfs/dbraw/zinc/79/41/20/844794120.db2.gz PZQNJUXGJWTQKQ-HZPDHXFCSA-N 2 0 356.511 0.117 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644586 844794254 /nfs/dbraw/zinc/79/42/54/844794254.db2.gz HBTXQYDBQDTNAH-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752486 844816207 /nfs/dbraw/zinc/81/62/07/844816207.db2.gz IGDFKIKYWMWXHP-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276629966 861504886 /nfs/dbraw/zinc/50/48/86/861504886.db2.gz HZSNJIRCRISVPC-QZTJIDSGSA-N 3 0 351.539 0.251 20 0 FCADRP CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630364 861507711 /nfs/dbraw/zinc/50/77/11/861507711.db2.gz PKRMYQDHIFFBOG-QFBILLFUSA-N 2 0 350.507 0.526 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104290478 844890952 /nfs/dbraw/zinc/89/09/52/844890952.db2.gz AHWLLLNDSGJEMQ-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1)[NH+](C)C ZINC001104346517 844895708 /nfs/dbraw/zinc/89/57/08/844895708.db2.gz FIDOFJZAWFDURM-DJIMGWMZSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482552 844916781 /nfs/dbraw/zinc/91/67/81/844916781.db2.gz WAHATRVTGQNUPP-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001104641246 844929057 /nfs/dbraw/zinc/92/90/57/844929057.db2.gz HAQGIIAJQHGMOF-BZUAXINKSA-N 2 0 361.552 0.691 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104676643 844931575 /nfs/dbraw/zinc/93/15/75/844931575.db2.gz SHHQUBCQIGWEDE-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832860 844950402 /nfs/dbraw/zinc/95/04/02/844950402.db2.gz XXAHXDUIMUZQIT-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908470 844958770 /nfs/dbraw/zinc/95/87/70/844958770.db2.gz XZCHCXYXSGKKGH-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014437 844968777 /nfs/dbraw/zinc/96/87/77/844968777.db2.gz PWTAFVMOOCRVLK-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007757 844968926 /nfs/dbraw/zinc/96/89/26/844968926.db2.gz FNHGXYKSDLISAC-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001105064203 844976563 /nfs/dbraw/zinc/97/65/63/844976563.db2.gz CFECMTGJIUONEB-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001105067259 844977165 /nfs/dbraw/zinc/97/71/65/844977165.db2.gz UFMMKHPZNDCHRS-HZPDHXFCSA-N 2 0 353.511 0.426 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105669047 845015598 /nfs/dbraw/zinc/01/55/98/845015598.db2.gz OXJNYOAQWJIYFZ-ZAWLATJESA-N 2 0 355.523 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105945032 845063996 /nfs/dbraw/zinc/06/39/96/845063996.db2.gz IPIBDPKCIDVWGH-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001105945351 845064828 /nfs/dbraw/zinc/06/48/28/845064828.db2.gz UKQTYTNGDKWPCI-JHJVBQTASA-N 2 0 364.412 0.443 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106134002 845109945 /nfs/dbraw/zinc/10/99/45/845109945.db2.gz VENUPSDMNJQKND-IAGOWNOFSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106143126 845112993 /nfs/dbraw/zinc/11/29/93/845112993.db2.gz RGBIYYWFTWPHOM-FVQBIDKESA-N 2 0 357.520 0.057 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106198495 845129473 /nfs/dbraw/zinc/12/94/73/845129473.db2.gz CKRDDGHFBGYGFY-YUELXQCFSA-N 2 0 354.474 0.977 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106198441 845129595 /nfs/dbraw/zinc/12/95/95/845129595.db2.gz AVPCWVWWZQMZKV-MCIONIFRSA-N 2 0 355.462 0.074 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106249557 845142992 /nfs/dbraw/zinc/14/29/92/845142992.db2.gz KVHKOJHPYFTBAU-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106249535 845143013 /nfs/dbraw/zinc/14/30/13/845143013.db2.gz JUGJBRQFURXXFB-DDUZABMNSA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106248028 845143232 /nfs/dbraw/zinc/14/32/32/845143232.db2.gz HKHJLWUNCBFDTC-FGTMMUONSA-N 2 0 355.523 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106271647 845146258 /nfs/dbraw/zinc/14/62/58/845146258.db2.gz JXLCGWLZRHEXMR-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)[NH+](C)C ZINC001106282229 845148081 /nfs/dbraw/zinc/14/80/81/845148081.db2.gz ZLFGSVFSNDBFHS-KYJSFNMBSA-N 2 0 352.523 0.783 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581482 845200330 /nfs/dbraw/zinc/20/03/30/845200330.db2.gz FICBYXGSCHBAHG-LTIDMASMSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581462 845200356 /nfs/dbraw/zinc/20/03/56/845200356.db2.gz DQIIYMFENCMBOU-LTIDMASMSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001106592760 845201222 /nfs/dbraw/zinc/20/12/22/845201222.db2.gz UITXBKSYWJZJDM-OWCLPIDISA-N 2 0 371.547 0.447 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599514 845202940 /nfs/dbraw/zinc/20/29/40/845202940.db2.gz JMTGFBYZSZQJRJ-HUUCEWRRSA-N 2 0 351.499 0.609 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106621674 845207019 /nfs/dbraw/zinc/20/70/19/845207019.db2.gz YKPHIMDKAJLSMN-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621708 845207214 /nfs/dbraw/zinc/20/72/14/845207214.db2.gz ZXCGGSGYMVKXTN-NVXWUHKLSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001106626538 845207814 /nfs/dbraw/zinc/20/78/14/845207814.db2.gz FNYNIKWQOLJROJ-ZIAGYGMSSA-N 2 0 350.463 0.883 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)[NH+](C)C ZINC001106633949 845209460 /nfs/dbraw/zinc/20/94/60/845209460.db2.gz XRRMDQSMXGUPLZ-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)[NH+](C)C ZINC001106633336 845209560 /nfs/dbraw/zinc/20/95/60/845209560.db2.gz GCPVCUSNYAYVHG-BZUAXINKSA-N 2 0 353.511 0.282 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106664861 845218814 /nfs/dbraw/zinc/21/88/14/845218814.db2.gz AKQBJXBHNQARMK-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106665318 845219378 /nfs/dbraw/zinc/21/93/78/845219378.db2.gz SEDDJCFVTSWMCH-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666855 845220069 /nfs/dbraw/zinc/22/00/69/845220069.db2.gz XELHPKSIEUIFSN-GVDBMIGSSA-N 2 0 352.523 0.785 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668427 845220387 /nfs/dbraw/zinc/22/03/87/845220387.db2.gz KEGXJUZSKLOYEE-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106730673 845236078 /nfs/dbraw/zinc/23/60/78/845236078.db2.gz KJPIEESEKQALRD-HLLBOEOZSA-N 2 0 352.523 0.879 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1 ZINC001106905955 845282894 /nfs/dbraw/zinc/28/28/94/845282894.db2.gz PMESJHZEJLMIRL-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106905290 845282932 /nfs/dbraw/zinc/28/29/32/845282932.db2.gz JANMLRDPHMSHAS-RBSFLKMASA-N 2 0 351.499 0.687 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106908319 845284587 /nfs/dbraw/zinc/28/45/87/845284587.db2.gz WIZSZIZACCBXNS-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106981434 845300283 /nfs/dbraw/zinc/30/02/83/845300283.db2.gz NVPAZGWKDWFXPM-HYVNUMGLSA-N 2 0 350.507 0.491 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998592 845307224 /nfs/dbraw/zinc/30/72/24/845307224.db2.gz BOPPAPOSJMMSTA-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071601 845325280 /nfs/dbraw/zinc/32/52/80/845325280.db2.gz OMINWOPROMOYBV-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534122 845394442 /nfs/dbraw/zinc/39/44/42/845394442.db2.gz YKXCXSZFINIYRC-DODZYUBVSA-N 2 0 355.523 0.941 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N1CCC1)CC2 ZINC001107614676 845408951 /nfs/dbraw/zinc/40/89/51/845408951.db2.gz HCNWSEXOMUQCEQ-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP CS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633342 845411897 /nfs/dbraw/zinc/41/18/97/845411897.db2.gz RISBAOWUDQQYRA-SJLPKXTDSA-N 2 0 371.547 0.878 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CCCC1 ZINC001109565241 845690008 /nfs/dbraw/zinc/69/00/08/845690008.db2.gz GJTVWCKBRUSBSM-IKGGRYGDSA-N 2 0 353.507 0.981 20 0 FCADRP CCS(=O)(=O)CC[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276772694 861599937 /nfs/dbraw/zinc/59/99/37/861599937.db2.gz RISBLTXGZDOSRU-QGZVFWFLSA-N 2 0 359.536 0.687 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CC1 ZINC001109918388 845760518 /nfs/dbraw/zinc/76/05/18/845760518.db2.gz FNNJZKLMGNJASO-SQNIBIBYSA-N 2 0 353.507 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001110017599 845778073 /nfs/dbraw/zinc/77/80/73/845778073.db2.gz DIWAJCSVMMRFAZ-IKGGRYGDSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001110159808 845809096 /nfs/dbraw/zinc/80/90/96/845809096.db2.gz XMOFWMKUQMINFP-YVSFHVDLSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](C[C@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798139 861612918 /nfs/dbraw/zinc/61/29/18/861612918.db2.gz AYKDBNXPTOTROQ-YJBOKZPZSA-N 2 0 357.495 0.027 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CCCC1 ZINC001110862265 845985907 /nfs/dbraw/zinc/98/59/07/845985907.db2.gz GJTVWCKBRUSBSM-ZACQAIPSSA-N 2 0 353.507 0.981 20 0 FCADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959511 846001777 /nfs/dbraw/zinc/00/17/77/846001777.db2.gz ODAZJECBWUZENV-OAGGEKHMSA-N 2 0 374.551 0.379 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961194 846002631 /nfs/dbraw/zinc/00/26/31/846002631.db2.gz VTALXPKQWQWTBX-TWMKSMIVSA-N 2 0 357.495 0.074 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001111171589 846052947 /nfs/dbraw/zinc/05/29/47/846052947.db2.gz KIKLQFTUQCCHIY-ZACQAIPSSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCOC2)CC1 ZINC001111197088 846060078 /nfs/dbraw/zinc/06/00/78/846060078.db2.gz HSDZPYYKAAEQBK-IDCNUPLLSA-N 2 0 351.491 0.855 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccns1 ZINC001111279543 846076693 /nfs/dbraw/zinc/07/66/93/846076693.db2.gz DSCKTRYECUPXEN-BMFZPTHFSA-N 2 0 352.504 0.985 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2 ZINC001111861239 846235837 /nfs/dbraw/zinc/23/58/37/846235837.db2.gz CTRPKYTWDZSQTB-KXBFYZLASA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCN(C)C1=O)C2 ZINC001112009897 846293933 /nfs/dbraw/zinc/29/39/33/846293933.db2.gz ZFSPSZBGWHEGPS-BXWFABGCSA-N 2 0 350.507 0.918 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112071014 846348786 /nfs/dbraw/zinc/34/87/86/846348786.db2.gz NUTDXXAZSKVPCV-MGPQQGTHSA-N 2 0 367.412 0.723 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112182046 846442093 /nfs/dbraw/zinc/44/20/93/846442093.db2.gz LLECUTOVRXHCOJ-JHJVBQTASA-N 2 0 366.428 0.784 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112196656 846455391 /nfs/dbraw/zinc/45/53/91/846455391.db2.gz XFIDYBYUUFVAKE-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285030 846487836 /nfs/dbraw/zinc/48/78/36/846487836.db2.gz JGOSHVJPYHELMP-LNLFQRSKSA-N 2 0 353.507 0.962 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112428424 846503205 /nfs/dbraw/zinc/50/32/05/846503205.db2.gz HJRJJCLDUPGSCR-SCTDSRPQSA-N 2 0 353.507 0.698 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112436998 846504794 /nfs/dbraw/zinc/50/47/94/846504794.db2.gz RPSCRNLYZTXLTL-BXWFABGCSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2)C(N)=O ZINC001112506876 846509792 /nfs/dbraw/zinc/50/97/92/846509792.db2.gz JOIHHDBTYRQXCH-VCBZYWHSSA-N 2 0 350.507 0.953 20 0 FCADRP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2)C(N)=O ZINC001112518345 846512514 /nfs/dbraw/zinc/51/25/14/846512514.db2.gz DTVJHIMTHYALTN-DOXZYTNZSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001112522529 846514077 /nfs/dbraw/zinc/51/40/77/846514077.db2.gz CLGNYSSZIIGTSG-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2)C(N)=O ZINC001112530047 846516340 /nfs/dbraw/zinc/51/63/40/846516340.db2.gz AJCHIBOQWHEDJM-DOXZYTNZSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001112540022 846518836 /nfs/dbraw/zinc/51/88/36/846518836.db2.gz BOVHXXXCMSYKOP-BXWFABGCSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112579428 846529099 /nfs/dbraw/zinc/52/90/99/846529099.db2.gz NBBGWVSPAOMLSN-AOIWGVFYSA-N 2 0 353.507 0.555 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001116876746 846792136 /nfs/dbraw/zinc/79/21/36/846792136.db2.gz DHKIRGKHNQGSPP-MRXNPFEDSA-N 2 0 369.535 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001117359719 846980289 /nfs/dbraw/zinc/98/02/89/846980289.db2.gz KZYKCVAGKNIPMB-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC001117847291 847183608 /nfs/dbraw/zinc/18/36/08/847183608.db2.gz PGLUJTZOIQQMDR-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001118034692 847257630 /nfs/dbraw/zinc/25/76/30/847257630.db2.gz HGKLSFPEGVXBMD-CJNGLKHVSA-N 2 0 350.463 0.528 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001118118249 847287859 /nfs/dbraw/zinc/28/78/59/847287859.db2.gz DIMQBFCVPICMLI-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001118130763 847292169 /nfs/dbraw/zinc/29/21/69/847292169.db2.gz JFRQNIZFLNSUPK-UHFFFAOYSA-N 2 0 350.467 0.433 20 0 FCADRP [NH3+]CCc1nc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC001119377701 847827860 /nfs/dbraw/zinc/82/78/60/847827860.db2.gz RETXKCIRDCFEHV-CQSZACIVSA-N 2 0 367.519 0.171 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001120602489 848251028 /nfs/dbraw/zinc/25/10/28/848251028.db2.gz HTDZMNFPIZPMBG-IAGOWNOFSA-N 2 0 353.438 0.628 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810717 848397769 /nfs/dbraw/zinc/39/77/69/848397769.db2.gz NSSTTZSCXNAGOV-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001121945352 848422468 /nfs/dbraw/zinc/42/24/68/848422468.db2.gz IVLBNQKNPVHPOP-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[NH2+]CCN1C ZINC001121945355 848422620 /nfs/dbraw/zinc/42/26/20/848422620.db2.gz IVLBNQKNPVHPOP-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001122009388 848433943 /nfs/dbraw/zinc/43/39/43/848433943.db2.gz NUPOFEORUSSYDV-ZJPYXAASSA-N 2 0 352.523 0.676 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001123885039 848649673 /nfs/dbraw/zinc/64/96/73/848649673.db2.gz AGIFACQNXIHWEQ-INIZCTEOSA-N 2 0 355.527 0.157 20 0 FCADRP CCc1nc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001127639405 848730790 /nfs/dbraw/zinc/73/07/90/848730790.db2.gz ZZJSUBJPCXOQLW-DGCLKSJQSA-N 2 0 367.519 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001127689877 848733220 /nfs/dbraw/zinc/73/32/20/848733220.db2.gz AFABLRHVWUXRON-DGCLKSJQSA-N 2 0 354.401 0.949 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205008 848818221 /nfs/dbraw/zinc/81/82/21/848818221.db2.gz NYQLSJCSWZPOLY-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267195 848824279 /nfs/dbraw/zinc/82/42/79/848824279.db2.gz YCBAAEBSGPHQBZ-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369557 848835386 /nfs/dbraw/zinc/83/53/86/848835386.db2.gz ABXDTJAXEYLXSM-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393575 848838877 /nfs/dbraw/zinc/83/88/77/848838877.db2.gz OEULCBVUAGGDCW-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400698 848840213 /nfs/dbraw/zinc/84/02/13/848840213.db2.gz XKIHSTGTRFZVOO-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684244 848881456 /nfs/dbraw/zinc/88/14/56/848881456.db2.gz GPWFUHSTPMNGPP-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129685697 848881754 /nfs/dbraw/zinc/88/17/54/848881754.db2.gz SEVINKJXSNZELH-UPJWGTAASA-N 2 0 360.384 0.666 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129891958 848909007 /nfs/dbraw/zinc/90/90/07/848909007.db2.gz ALRFQKHLPYDSHT-LOSLYSQWSA-N 2 0 352.870 0.712 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129910048 848912903 /nfs/dbraw/zinc/91/29/03/848912903.db2.gz ACADGROWBSBHQJ-IGSLQNPTSA-N 2 0 352.870 0.856 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910460 848914453 /nfs/dbraw/zinc/91/44/53/848914453.db2.gz UNTVRNDMVVBINY-PMPSAXMXSA-N 2 0 350.467 0.140 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983151 848926331 /nfs/dbraw/zinc/92/63/31/848926331.db2.gz PEKFPCKVVKDXST-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130081547 848941775 /nfs/dbraw/zinc/94/17/75/848941775.db2.gz VBYZZYVHOGUOCR-OLZOCXBDSA-N 2 0 362.400 0.914 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)[nH]1 ZINC001130235190 848983313 /nfs/dbraw/zinc/98/33/13/848983313.db2.gz XLGSMAYBQDPTAI-LOKFXGJOSA-N 2 0 370.885 0.587 20 0 FCADRP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234955 848983884 /nfs/dbraw/zinc/98/38/84/848983884.db2.gz QWZDSSHASHABQW-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP CC[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1)[NH+](C)C ZINC001130238191 848984272 /nfs/dbraw/zinc/98/42/72/848984272.db2.gz YFFXTGRUTFLUPA-IHRRRGAJSA-N 2 0 352.483 0.632 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130247008 848986377 /nfs/dbraw/zinc/98/63/77/848986377.db2.gz QMKXHBGXHFJNJC-IHRRRGAJSA-N 2 0 350.467 0.245 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130246687 848986648 /nfs/dbraw/zinc/98/66/48/848986648.db2.gz MUSKNHWPOHHMJQ-STQMWFEESA-N 2 0 356.446 0.194 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001130298709 848998045 /nfs/dbraw/zinc/99/80/45/848998045.db2.gz CMQKJFNEISQHMK-APWZRJJASA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130695304 849027944 /nfs/dbraw/zinc/02/79/44/849027944.db2.gz MGIDGZOXAAOASN-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n[nH]1 ZINC001130805403 849046788 /nfs/dbraw/zinc/04/67/88/849046788.db2.gz ZZCZJVNRISTYPG-XBFYPFSCSA-N 2 0 370.885 0.935 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130811879 849047130 /nfs/dbraw/zinc/04/71/30/849047130.db2.gz PYYXBXHXYBRFDP-UONOGXRCSA-N 2 0 352.483 0.981 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316275 849094758 /nfs/dbraw/zinc/09/47/58/849094758.db2.gz DBDVORQTHMTFNO-XHSDSOJGSA-N 2 0 352.479 0.843 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)[NH+](C)C ZINC001131558103 849123466 /nfs/dbraw/zinc/12/34/66/849123466.db2.gz HNXMMNDPPQAXRB-KURKYZTESA-N 2 0 355.523 0.941 20 0 FCADRP COC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001143319586 849483308 /nfs/dbraw/zinc/48/33/08/849483308.db2.gz PKXTYEDDQRWYKF-UHFFFAOYSA-N 2 0 354.495 0.108 20 0 FCADRP CSCC[C@H](NC(C)=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001144858920 849538297 /nfs/dbraw/zinc/53/82/97/849538297.db2.gz ZIPUZMZAHFVSRV-INIZCTEOSA-N 2 0 360.568 0.976 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1 ZINC001144943545 849540473 /nfs/dbraw/zinc/54/04/73/849540473.db2.gz WNFNSPBJZATSOX-KONPQCLYSA-N 2 0 351.447 0.406 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C ZINC001146198330 849548292 /nfs/dbraw/zinc/54/82/92/849548292.db2.gz WMBQESWAWVGFFW-INIZCTEOSA-N 2 0 359.471 0.326 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)CC)C3)CC[N@@H+]1C ZINC001147583496 849586487 /nfs/dbraw/zinc/58/64/87/849586487.db2.gz RSGXAAYCOJARIC-JKSUJKDBSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@]1(O)CCOC1 ZINC001148799571 849618820 /nfs/dbraw/zinc/61/88/20/849618820.db2.gz KBXDGULTQLKACS-LJQANCHMSA-N 2 0 353.507 0.793 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)C[C@H]1C[NH+](C)C ZINC001151530722 849689960 /nfs/dbraw/zinc/68/99/60/849689960.db2.gz UABXSKFDXWBIHG-CHWSQXEVSA-N 2 0 365.503 0.160 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157323157 849963232 /nfs/dbraw/zinc/96/32/32/849963232.db2.gz BZBCICGNXKVNQR-STQMWFEESA-N 2 0 358.483 0.186 20 0 FCADRP CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157589871 849983520 /nfs/dbraw/zinc/98/35/20/849983520.db2.gz AOSUWYYFBDHJHQ-UONOGXRCSA-N 2 0 356.467 0.289 20 0 FCADRP CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157589869 849984017 /nfs/dbraw/zinc/98/40/17/849984017.db2.gz AOSUWYYFBDHJHQ-KBPBESRZSA-N 2 0 356.467 0.289 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001157741236 849991127 /nfs/dbraw/zinc/99/11/27/849991127.db2.gz UXKFZEGYCRLSPH-BBRMVZONSA-N 2 0 361.483 0.080 20 0 FCADRP O=C(N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157923550 850004443 /nfs/dbraw/zinc/00/44/43/850004443.db2.gz FFCHDQXHZVXSQX-ZMJPVWNMSA-N 2 0 353.360 0.439 20 0 FCADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158027418 850013789 /nfs/dbraw/zinc/01/37/89/850013789.db2.gz FMFAKHHXTNIRMH-NVXWUHKLSA-N 2 0 369.531 0.536 20 0 FCADRP CCN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001158201243 850023361 /nfs/dbraw/zinc/02/33/61/850023361.db2.gz VUPVGWXNJQCYQJ-LBPRGKRZSA-N 2 0 353.492 0.147 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241002 850027105 /nfs/dbraw/zinc/02/71/05/850027105.db2.gz POSPEOARGVVHBB-QWRGUYRKSA-N 2 0 365.400 0.438 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248958 850028366 /nfs/dbraw/zinc/02/83/66/850028366.db2.gz KCAHVJYFBLFLLY-GARJFASQSA-N 2 0 350.385 0.514 20 0 FCADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241292 850028404 /nfs/dbraw/zinc/02/84/04/850028404.db2.gz TWOBOXMTRIFAQF-PWSUYJOCSA-N 2 0 360.380 0.140 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1C ZINC001158379577 850041188 /nfs/dbraw/zinc/04/11/88/850041188.db2.gz CPRMAQHWJNTONU-HLLBOEOZSA-N 2 0 353.463 0.593 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001158380350 850042598 /nfs/dbraw/zinc/04/25/98/850042598.db2.gz QNBKZAMZOKJYCT-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC001158385336 850044360 /nfs/dbraw/zinc/04/43/60/850044360.db2.gz WALVADAFGGJQGR-NILFDRSVSA-N 2 0 363.380 0.672 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC)CC[N@@H+]1C ZINC001158411336 850048184 /nfs/dbraw/zinc/04/81/84/850048184.db2.gz CRIVEKLLKXEEHS-OWCLPIDISA-N 2 0 356.511 0.354 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C ZINC001158428500 850048843 /nfs/dbraw/zinc/04/88/43/850048843.db2.gz GTDGHLUYYGXMKC-CZUORRHYSA-N 2 0 350.507 0.727 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735049 850071614 /nfs/dbraw/zinc/07/16/14/850071614.db2.gz LTANVEXEKHJRNI-LBPRGKRZSA-N 2 0 358.464 0.243 20 0 FCADRP CC(C)N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)c1ncnc2c1CC[NH2+]CC2 ZINC001158759877 850073272 /nfs/dbraw/zinc/07/32/72/850073272.db2.gz VBPCNNVTWZCXPI-RKNYENMMSA-N 2 0 353.492 0.002 20 0 FCADRP [NH3+]CCCNCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903089 850083715 /nfs/dbraw/zinc/08/37/15/850083715.db2.gz MGOUMZHTYPZGMZ-DYVFJYSZSA-N 2 0 351.426 0.013 20 0 FCADRP CC(C)Oc1ncnc2c1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158959417 850086881 /nfs/dbraw/zinc/08/68/81/850086881.db2.gz POMAFYOVYOQJGN-ZDUSSCGKSA-N 2 0 353.492 0.210 20 0 FCADRP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160568 850098525 /nfs/dbraw/zinc/09/85/25/850098525.db2.gz LMEBJNOFSCOCNU-VCBZYWHSSA-N 2 0 350.507 0.476 20 0 FCADRP Nc1ncn(C=C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397249 850110806 /nfs/dbraw/zinc/11/08/06/850110806.db2.gz QBWLHBQDKPLWQZ-CHWSQXEVSA-N 2 0 352.870 0.214 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)C2 ZINC001159481357 850117776 /nfs/dbraw/zinc/11/77/76/850117776.db2.gz LYMUYBFNZJEGGL-BHIYHBOVSA-N 2 0 350.507 0.274 20 0 FCADRP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001159625511 850124565 /nfs/dbraw/zinc/12/45/65/850124565.db2.gz XDBYFRBHTWCVMK-JFIYKMOQSA-N 2 0 351.491 0.905 20 0 FCADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001159633800 850125757 /nfs/dbraw/zinc/12/57/57/850125757.db2.gz RJXYBMBSHXLTHL-DOMZBBRYSA-N 2 0 351.451 0.517 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159710955 850131235 /nfs/dbraw/zinc/13/12/35/850131235.db2.gz KVHFKKCGMQMZSG-CYBMUJFWSA-N 2 0 365.503 0.664 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160077658 850153003 /nfs/dbraw/zinc/15/30/03/850153003.db2.gz UCRQYIGTLKGPGR-OFQRWUPVSA-N 2 0 352.410 0.296 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175356 850157518 /nfs/dbraw/zinc/15/75/18/850157518.db2.gz NNUMXJDLKPFXOU-BFYDXBDKSA-N 2 0 350.507 0.942 20 0 FCADRP CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2c2ccccc21 ZINC001160201238 850159142 /nfs/dbraw/zinc/15/91/42/850159142.db2.gz DVNFWTCHULRHMN-NWANDNLSSA-N 2 0 366.487 0.074 20 0 FCADRP CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001160271694 850163667 /nfs/dbraw/zinc/16/36/67/850163667.db2.gz WRVIMYSWFKNZRO-HUUCEWRRSA-N 2 0 354.495 0.176 20 0 FCADRP CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001160271695 850164068 /nfs/dbraw/zinc/16/40/68/850164068.db2.gz WRVIMYSWFKNZRO-LSDHHAIUSA-N 2 0 354.495 0.176 20 0 FCADRP CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1=O ZINC001160427675 850172397 /nfs/dbraw/zinc/17/23/97/850172397.db2.gz LVNYFUISTYGOBP-KGLIPLIRSA-N 2 0 351.447 0.231 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160476679 850175283 /nfs/dbraw/zinc/17/52/83/850175283.db2.gz KHVVKSDXISWROX-HIFRSBDPSA-N 2 0 354.495 0.317 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160843565 850203079 /nfs/dbraw/zinc/20/30/79/850203079.db2.gz QDKQPPLVBXYQDX-LBPRGKRZSA-N 2 0 360.384 0.600 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1 ZINC001161154302 850234094 /nfs/dbraw/zinc/23/40/94/850234094.db2.gz WZDAQBLPIMZBBI-AWEZNQCLSA-N 2 0 357.451 0.320 20 0 FCADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152576 850234364 /nfs/dbraw/zinc/23/43/64/850234364.db2.gz NIJHMPDWFGNBJO-GHMZBOCLSA-N 2 0 359.352 0.303 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161150603 850234618 /nfs/dbraw/zinc/23/46/18/850234618.db2.gz KVZZOIKCHPXGJH-SFYZADRCSA-N 2 0 352.386 0.219 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001161157945 850236174 /nfs/dbraw/zinc/23/61/74/850236174.db2.gz MEEPTKCOXUFCME-SFHVURJKSA-N 2 0 351.422 0.752 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001161176556 850237059 /nfs/dbraw/zinc/23/70/59/850237059.db2.gz VUWQOFVGILFJOO-IRXDYDNUSA-N 2 0 352.523 0.366 20 0 FCADRP CCC[NH+]1C[C@@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001161174894 850237449 /nfs/dbraw/zinc/23/74/49/850237449.db2.gz FYFVIYNAFJNIRA-KFWWJZLASA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001161174891 850237646 /nfs/dbraw/zinc/23/76/46/850237646.db2.gz FYESQYWCBKKXON-LPHOPBHVSA-N 2 0 353.507 0.840 20 0 FCADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001161174925 850237919 /nfs/dbraw/zinc/23/79/19/850237919.db2.gz HAXHLQYGBOXMLE-BZUAXINKSA-N 2 0 369.531 0.201 20 0 FCADRP CN(CC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161321696 850252248 /nfs/dbraw/zinc/25/22/48/850252248.db2.gz NJUDRAYDHXTJGO-JFIYKMOQSA-N 2 0 352.523 0.948 20 0 FCADRP COc1cc(N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2CC[NH2+]CC2)ccn1 ZINC001161385892 850256963 /nfs/dbraw/zinc/25/69/63/850256963.db2.gz KIUJNLDECCSXEL-LFPIHBKWSA-N 2 0 354.476 0.271 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161445451 850259361 /nfs/dbraw/zinc/25/93/61/850259361.db2.gz PFJZISHZIUJIBN-LNLFQRSKSA-N 3 0 352.523 0.677 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001161444723 850260206 /nfs/dbraw/zinc/26/02/06/850260206.db2.gz KPSGBEUUDBEBIF-IRXDYDNUSA-N 3 0 354.445 0.977 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC2 ZINC001161480311 850262750 /nfs/dbraw/zinc/26/27/50/850262750.db2.gz OVAURTWEAKLOCE-HDMKZQKVSA-N 3 0 354.495 0.236 20 0 FCADRP CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@H]1C ZINC001161499149 850264913 /nfs/dbraw/zinc/26/49/13/850264913.db2.gz IHBKLCWDCKFRIQ-YCPHGPKFSA-N 2 0 354.495 0.175 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161529462 850269113 /nfs/dbraw/zinc/26/91/13/850269113.db2.gz DFEWJTHUZYGEGJ-VOAKCMCISA-N 2 0 362.565 0.253 20 0 FCADRP COC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1c1ccccc1 ZINC001161563404 850271208 /nfs/dbraw/zinc/27/12/08/850271208.db2.gz BRBAQBKVOCCYGM-KKUMJFAQSA-N 2 0 351.472 0.768 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC2(C[C@H]2C(=O)NCCCOC)CC1 ZINC001277833075 862120902 /nfs/dbraw/zinc/12/09/02/862120902.db2.gz BBARZAJCZSNKSO-SJORKVTESA-N 2 0 355.523 0.944 20 0 FCADRP O=S(=O)(c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1)C1CC[NH2+]CC1 ZINC001163342710 850365303 /nfs/dbraw/zinc/36/53/03/850365303.db2.gz WEVVCJPJHJADPE-IKGGRYGDSA-N 2 0 351.472 0.754 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834960 862122622 /nfs/dbraw/zinc/12/26/22/862122622.db2.gz KBIGVAOFTMSMKN-SJLPKXTDSA-N 2 0 350.463 0.802 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001164575602 850417184 /nfs/dbraw/zinc/41/71/84/850417184.db2.gz CNCRIDCKHNQRLV-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001164582297 850417240 /nfs/dbraw/zinc/41/72/40/850417240.db2.gz GOMKDVZLNHMITQ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001164575768 850417501 /nfs/dbraw/zinc/41/75/01/850417501.db2.gz GQIAQVRFUHVWDA-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001164582342 850417848 /nfs/dbraw/zinc/41/78/48/850417848.db2.gz IVUVHUKYSOSZDU-BZUAXINKSA-N 2 0 371.547 0.637 20 0 FCADRP CS(=O)(=O)c1nc2c(c(N3CCC(C4C[NH2+]C4)CC3)n1)CC[NH2+]CC2 ZINC001165409101 850440611 /nfs/dbraw/zinc/44/06/11/850440611.db2.gz RIGRTBLVIDNBQQ-UHFFFAOYSA-N 2 0 365.503 0.004 20 0 FCADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001168321962 850583000 /nfs/dbraw/zinc/58/30/00/850583000.db2.gz OGGQDXOFCPUBJV-NHHFINERSA-N 2 0 351.491 0.950 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)cc([C@@H]3CCC(=O)NC3)n2)CC1 ZINC001168735322 850591410 /nfs/dbraw/zinc/59/14/10/850591410.db2.gz OCQMEOABXFSWCL-SNVBAGLBSA-N 2 0 351.842 0.718 20 0 FCADRP CC[NH+]1CCC(NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001169246292 850610149 /nfs/dbraw/zinc/61/01/49/850610149.db2.gz SGUBIZKFBSFICR-UHFFFAOYSA-N 2 0 352.504 0.859 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc(N3CCC([NH3+])CC3)n2)O1 ZINC001170274103 850648813 /nfs/dbraw/zinc/64/88/13/850648813.db2.gz WDJWJYFYWXJNQY-IIAWOOMASA-N 2 0 350.467 0.541 20 0 FCADRP C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861330 850667827 /nfs/dbraw/zinc/66/78/27/850667827.db2.gz CNQVRWVSOOQETI-BZUAXINKSA-N 2 0 353.511 0.616 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)O1 ZINC001171691790 850693222 /nfs/dbraw/zinc/69/32/22/850693222.db2.gz VMXYTEAZHKDBOT-JLNYLFASSA-N 2 0 357.451 0.837 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172530 850707066 /nfs/dbraw/zinc/70/70/66/850707066.db2.gz FKJDOCVBJNZBAW-VSZNYVQBSA-N 2 0 351.491 0.809 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173563912 850726062 /nfs/dbraw/zinc/72/60/62/850726062.db2.gz DFNBSGSHZPILHP-QKDCVEJESA-N 2 0 355.479 0.343 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(Cc3cc(Cl)ncc3O)C2)OCC1=O ZINC001278056152 862177999 /nfs/dbraw/zinc/17/79/99/862177999.db2.gz MYJHDPVSCZJMSA-KRWDZBQOSA-N 2 0 368.865 0.806 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001178523178 850905718 /nfs/dbraw/zinc/90/57/18/850905718.db2.gz VQQNDXVXKWCDDY-RBSFLKMASA-N 2 0 352.479 0.398 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC3CCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731158 850921223 /nfs/dbraw/zinc/92/12/23/850921223.db2.gz NCYKFDMBUDUZCA-WTTBNOFXSA-N 2 0 350.507 0.822 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NC(=N)SCC[NH3+])CC2)CC1 ZINC001179014408 850945661 /nfs/dbraw/zinc/94/56/61/850945661.db2.gz GSGDPKXYEJSWNX-UHFFFAOYSA-N 2 0 355.508 0.452 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001180391468 851034795 /nfs/dbraw/zinc/03/47/95/851034795.db2.gz SKMKACZCKRUHBE-UHFFFAOYSA-N 2 0 354.476 0.274 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[C@@]1(F)Cl)CC2 ZINC001181657828 851125830 /nfs/dbraw/zinc/12/58/30/851125830.db2.gz CRYXGULJBHBEJX-GUYCJALGSA-N 2 0 374.888 0.608 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001182736933 851195557 /nfs/dbraw/zinc/19/55/57/851195557.db2.gz RAXXAFFGTZHWLR-UHFFFAOYSA-N 2 0 374.482 0.056 20 0 FCADRP CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185510720 851360223 /nfs/dbraw/zinc/36/02/23/851360223.db2.gz BAFQYQRSBJWRGL-LBPRGKRZSA-N 2 0 355.439 0.416 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCOC)C[C@H]32)CC[N@@H+]1C ZINC001187971550 851632653 /nfs/dbraw/zinc/63/26/53/851632653.db2.gz PPWWCFCPSIOWQP-WNRNVDISSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159762 851761019 /nfs/dbraw/zinc/76/10/19/851761019.db2.gz KADQEUIOHFBBGW-HRCADAONSA-N 2 0 352.523 0.974 20 0 FCADRP [NH3+]CCN(CCNC(=O)c1ccc(C[NH+]2CCCCC2)o1)N(O)N=O ZINC001189753867 851821624 /nfs/dbraw/zinc/82/16/24/851821624.db2.gz CLSURVSQOLCRAC-UHFFFAOYSA-N 2 0 354.411 0.544 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001189810798 851827149 /nfs/dbraw/zinc/82/71/49/851827149.db2.gz HPANOEGOXKVXIM-RRFJBIMHSA-N 2 0 361.433 0.522 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001190176237 851870593 /nfs/dbraw/zinc/87/05/93/851870593.db2.gz DONCUOYAWNDTNC-OKZBNKHCSA-N 2 0 351.491 0.811 20 0 FCADRP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190222052 851879087 /nfs/dbraw/zinc/87/90/87/851879087.db2.gz YIHLUEBTZWTHQF-KURKYZTESA-N 2 0 353.507 0.912 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481294 851910739 /nfs/dbraw/zinc/91/07/39/851910739.db2.gz SNHOINKELYEMQU-RCCFBDPRSA-N 2 0 353.507 0.793 20 0 FCADRP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001278428568 862324637 /nfs/dbraw/zinc/32/46/37/862324637.db2.gz PVPWXIVJNKRCGM-HZPDHXFCSA-N 2 0 354.564 0.814 20 0 FCADRP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001278428567 862326336 /nfs/dbraw/zinc/32/63/36/862326336.db2.gz PVPWXIVJNKRCGM-HOTGVXAUSA-N 2 0 354.564 0.814 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728811 852478350 /nfs/dbraw/zinc/47/83/50/852478350.db2.gz TXABHUNFLHSWEG-KZNAEPCWSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102312 852536698 /nfs/dbraw/zinc/53/66/98/852536698.db2.gz HFWIFPKTCISRSC-HZPDHXFCSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)CCCCC1 ZINC001194960668 852679789 /nfs/dbraw/zinc/67/97/89/852679789.db2.gz BVICPYYEORPQJU-GVDBMIGSSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001196675127 852994940 /nfs/dbraw/zinc/99/49/40/852994940.db2.gz GUVCVUIFLZROMX-UHFFFAOYSA-N 2 0 357.568 0.689 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O)C(C)C ZINC001197024638 853050590 /nfs/dbraw/zinc/05/05/90/853050590.db2.gz GULRWFMXFCIVJD-BRWVUGGUSA-N 2 0 359.511 0.177 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198028446 853207146 /nfs/dbraw/zinc/20/71/46/853207146.db2.gz ABSKJIWOYDXLFP-KZNAEPCWSA-N 2 0 355.523 0.821 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001199017414 853355215 /nfs/dbraw/zinc/35/52/15/853355215.db2.gz GODAFMGVUALMJN-RCCFBDPRSA-N 2 0 353.507 0.840 20 0 FCADRP C[NH+]1CCN(c2cc(Br)ccc2CN2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205369630 853606070 /nfs/dbraw/zinc/60/60/70/853606070.db2.gz CPIQQKCXEZVSHH-GDBMZVCRSA-N 2 0 369.307 0.705 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205519462 853620427 /nfs/dbraw/zinc/62/04/27/853620427.db2.gz OOBQSVLDXDWTCL-IXDOHACOSA-N 2 0 353.507 0.647 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986373 853777318 /nfs/dbraw/zinc/77/73/18/853777318.db2.gz CVFHZYBNVYFIJV-BFYDXBDKSA-N 2 0 351.495 0.656 20 0 FCADRP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207280736 853796624 /nfs/dbraw/zinc/79/66/24/853796624.db2.gz UJENCXAGWARZMB-LJQANCHMSA-N 2 0 352.523 0.977 20 0 FCADRP CCOC(=O)CN1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001207417843 853810935 /nfs/dbraw/zinc/81/09/35/853810935.db2.gz IKIOCSPMIMPIBY-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207484779 853818615 /nfs/dbraw/zinc/81/86/15/853818615.db2.gz SBWPBVRZUMZIOI-SJORKVTESA-N 2 0 358.552 0.778 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001208074372 853892515 /nfs/dbraw/zinc/89/25/15/853892515.db2.gz XKEKOBUZSSJQOY-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP COCCN1CCO[C@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)CC[C@H]2C1=O ZINC001208107647 853898092 /nfs/dbraw/zinc/89/80/92/853898092.db2.gz REKHHEQMSZQJFY-SJORKVTESA-N 2 0 353.507 0.914 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492039 853941973 /nfs/dbraw/zinc/94/19/73/853941973.db2.gz CVLHTCIBLXJQFI-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494237 853942452 /nfs/dbraw/zinc/94/24/52/853942452.db2.gz MDTANOIRHPFXAK-FRRDWIJNSA-N 2 0 355.401 0.314 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)C1 ZINC001208614758 853960149 /nfs/dbraw/zinc/96/01/49/853960149.db2.gz UKNZTLRSLSFTMM-MRXNPFEDSA-N 2 0 359.536 0.702 20 0 FCADRP CC(=O)N1CCC(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001208674860 853965556 /nfs/dbraw/zinc/96/55/56/853965556.db2.gz WXXZNXOGFXQVIA-UHFFFAOYSA-N 2 0 350.507 0.907 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CC3CCN(C(C)=O)CC3)CC[C@@H]2C1 ZINC001208679120 853967073 /nfs/dbraw/zinc/96/70/73/853967073.db2.gz XYOZBUYGEGBRGT-RTBURBONSA-N 2 0 353.507 0.914 20 0 FCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330477 854101665 /nfs/dbraw/zinc/10/16/65/854101665.db2.gz ZUICVNSCVVSMIV-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330243 854102017 /nfs/dbraw/zinc/10/20/17/854102017.db2.gz TXVQMRXSPGPVGL-IXDOHACOSA-N 2 0 351.491 0.714 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001210484760 854114281 /nfs/dbraw/zinc/11/42/81/854114281.db2.gz BTWBKCXYWWUGML-IXDOHACOSA-N 2 0 359.511 0.179 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046218 854150152 /nfs/dbraw/zinc/15/01/52/854150152.db2.gz KEBGQUBTUOGPCO-BRWVUGGUSA-N 2 0 357.495 0.054 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350736 854180162 /nfs/dbraw/zinc/18/01/62/854180162.db2.gz WFAIRABAVBLHCO-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293552 854430334 /nfs/dbraw/zinc/43/03/34/854430334.db2.gz XHRMSGZIXCXFMC-KZNAEPCWSA-N 2 0 353.507 0.816 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293364 854430456 /nfs/dbraw/zinc/43/04/56/854430456.db2.gz IRRZJACHORHFMF-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212459090 854487293 /nfs/dbraw/zinc/48/72/93/854487293.db2.gz WJIMXUHSSGGUQC-HZPDHXFCSA-N 2 0 357.495 0.197 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346219 854583427 /nfs/dbraw/zinc/58/34/27/854583427.db2.gz CPJQTURXTFCJPN-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369589 854591267 /nfs/dbraw/zinc/59/12/67/854591267.db2.gz XHAUNQCKEXPQNS-QZTJIDSGSA-N 2 0 353.507 0.960 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455491 854623670 /nfs/dbraw/zinc/62/36/70/854623670.db2.gz DNQUOFDZRZKNRB-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213598242 854679807 /nfs/dbraw/zinc/67/98/07/854679807.db2.gz DXNADBJJVMXFRR-BRWVUGGUSA-N 2 0 359.511 0.177 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638596 854694546 /nfs/dbraw/zinc/69/45/46/854694546.db2.gz WMCGVSGWCFARBY-IAGOWNOFSA-N 2 0 357.495 0.338 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213671926 854710367 /nfs/dbraw/zinc/71/03/67/854710367.db2.gz WKGQRYHEUINNHP-HZPDHXFCSA-N 2 0 350.463 0.043 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678274 854712522 /nfs/dbraw/zinc/71/25/22/854712522.db2.gz MSEZXHNMICCZGG-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213721515 854735439 /nfs/dbraw/zinc/73/54/39/854735439.db2.gz SBLDJXVSZGDUGS-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759534 854755000 /nfs/dbraw/zinc/75/50/00/854755000.db2.gz PRWBDEKTDOEFEM-BZUAXINKSA-N 2 0 356.511 0.304 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767180 854758214 /nfs/dbraw/zinc/75/82/14/854758214.db2.gz GWWZZUULVPSALM-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863975 854798588 /nfs/dbraw/zinc/79/85/88/854798588.db2.gz WPWPDKOQTHAJKZ-BRWVUGGUSA-N 2 0 357.495 0.197 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336160 854926887 /nfs/dbraw/zinc/92/68/87/854926887.db2.gz WMABULDVGOXJTF-BZUAXINKSA-N 2 0 359.536 0.730 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214847387 855022135 /nfs/dbraw/zinc/02/21/35/855022135.db2.gz CVXLMGUCXCCMAM-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214855803 855023228 /nfs/dbraw/zinc/02/32/28/855023228.db2.gz OCMYKIUCECWXMC-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948073 855038882 /nfs/dbraw/zinc/03/88/82/855038882.db2.gz KEAWEIAFUCTCEL-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214967215 855042370 /nfs/dbraw/zinc/04/23/70/855042370.db2.gz SPMRTSNLPSEGIM-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215380799 855106304 /nfs/dbraw/zinc/10/63/04/855106304.db2.gz AGGPRBOHLYRITH-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215416009 855111915 /nfs/dbraw/zinc/11/19/15/855111915.db2.gz MLQPHFBCCCNMIK-HUUCEWRRSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001215462957 855117933 /nfs/dbraw/zinc/11/79/33/855117933.db2.gz DCIGOJOYFPEWNB-NVXWUHKLSA-N 2 0 367.515 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001215460938 855118274 /nfs/dbraw/zinc/11/82/74/855118274.db2.gz KCIZKBYOYAMNDA-FRRDWIJNSA-N 2 0 355.401 0.314 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215536884 855125895 /nfs/dbraw/zinc/12/58/95/855125895.db2.gz XXUNXXPZGGPUNT-OWCLPIDISA-N 2 0 371.547 0.732 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539916 855126131 /nfs/dbraw/zinc/12/61/31/855126131.db2.gz CLHAHCWXQPRQBH-LBTNJELSSA-N 2 0 356.486 0.772 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1)[NH+](C)C ZINC001215571350 855129084 /nfs/dbraw/zinc/12/90/84/855129084.db2.gz LSNBIKUQDDXFBZ-KFWWJZLASA-N 2 0 359.536 0.588 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001215598456 855131657 /nfs/dbraw/zinc/13/16/57/855131657.db2.gz BGFSCECRCRFNPT-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215778611 855144698 /nfs/dbraw/zinc/14/46/98/855144698.db2.gz UUOQKUGMUQMRHL-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215774214 855144723 /nfs/dbraw/zinc/14/47/23/855144723.db2.gz LLKBGSFUDAZGHA-OIISXLGYSA-N 2 0 350.507 0.964 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1 ZINC001215994251 855163380 /nfs/dbraw/zinc/16/33/80/855163380.db2.gz XKJNIBYVNAIFSQ-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216226571 855182144 /nfs/dbraw/zinc/18/21/44/855182144.db2.gz XQTDWBBDAVCRHB-CHWSQXEVSA-N 2 0 366.428 0.785 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405244 855199514 /nfs/dbraw/zinc/19/95/14/855199514.db2.gz IYZDRCJJKFWHAI-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216507398 855210017 /nfs/dbraw/zinc/21/00/17/855210017.db2.gz XOSZPGOFDSMORT-NVXWUHKLSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001216754385 855232490 /nfs/dbraw/zinc/23/24/90/855232490.db2.gz RWQTYQNJZFVWBN-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001216758189 855233710 /nfs/dbraw/zinc/23/37/10/855233710.db2.gz YYGQXZOKNCJJEE-GDBMZVCRSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001216835808 855253324 /nfs/dbraw/zinc/25/33/24/855253324.db2.gz HVKDEHNLJZLWBD-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216835891 855253486 /nfs/dbraw/zinc/25/34/86/855253486.db2.gz LTAORFVPYCEMNE-HZPDHXFCSA-N 2 0 359.536 0.734 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001216844481 855257017 /nfs/dbraw/zinc/25/70/17/855257017.db2.gz COQIOZVETFJRCT-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218183812 855405357 /nfs/dbraw/zinc/40/53/57/855405357.db2.gz DMVSHZZZFORUBB-URLYPYJESA-N 2 0 350.419 0.423 20 0 FCADRP Nc1ccc(I)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218505393 855431165 /nfs/dbraw/zinc/43/11/65/855431165.db2.gz FFZJORUMCNYTFV-SSDOTTSWSA-N 2 0 373.198 0.016 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Br)ccc1O ZINC001218513219 855432450 /nfs/dbraw/zinc/43/24/50/855432450.db2.gz FBQUOXTXHBWIRH-VIFPVBQESA-N 2 0 358.240 0.239 20 0 FCADRP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218571277 855441516 /nfs/dbraw/zinc/44/15/16/855441516.db2.gz DYAZIZFEZNXOTK-LLVKDONJSA-N 2 0 352.870 0.944 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1nnc2c[nH]cc(Br)c1-2)C1CC[NH2+]CC1 ZINC001218610141 855449481 /nfs/dbraw/zinc/44/94/81/855449481.db2.gz FYUZQJFSHFFWRQ-LLVKDONJSA-N 2 0 353.224 0.986 20 0 FCADRP O=C(Nc1nnc2c[nH]cc(Br)c1-2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218610604 855449516 /nfs/dbraw/zinc/44/95/16/855449516.db2.gz KIXLMMSHLSMLME-XLKFXECMSA-N 2 0 365.235 0.858 20 0 FCADRP O=C(Nc1csc(N2CCOCC2)n1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218622916 855451750 /nfs/dbraw/zinc/45/17/50/855451750.db2.gz XGCXHBBBWWMVOY-LBPRGKRZSA-N 2 0 351.476 0.792 20 0 FCADRP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218661795 855459867 /nfs/dbraw/zinc/45/98/67/855459867.db2.gz RMYRPYJBDKIHJR-ZDUSSCGKSA-N 2 0 352.460 0.606 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cc(I)c2nccn2c1 ZINC001218677752 855462694 /nfs/dbraw/zinc/46/26/94/855462694.db2.gz RHHNRQLPHGVONW-JTQLQIEISA-N 2 0 373.198 0.944 20 0 FCADRP CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001218734481 855472222 /nfs/dbraw/zinc/47/22/22/855472222.db2.gz DOOFAHBTQHTKSR-ZDUSSCGKSA-N 2 0 354.480 0.024 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cn(CCF)cn1 ZINC001218743972 855473072 /nfs/dbraw/zinc/47/30/72/855473072.db2.gz QFQUYDLREWKZJR-STQMWFEESA-N 2 0 354.430 0.238 20 0 FCADRP COC(=O)c1nc(Br)sc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218779222 855478441 /nfs/dbraw/zinc/47/84/41/855478441.db2.gz WYGXEOGXXFESIQ-RXMQYKEDSA-N 2 0 351.226 0.697 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc2)CC1 ZINC001218845422 855485824 /nfs/dbraw/zinc/48/58/24/855485824.db2.gz AAFASKUQGSTMGL-KRWDZBQOSA-N 3 0 365.547 0.782 20 0 FCADRP Nc1cc(F)c(Br)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218924697 855497558 /nfs/dbraw/zinc/49/75/58/855497558.db2.gz OGYVZAUFDIKYMK-LBPRGKRZSA-N 2 0 374.258 0.859 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc2c3c1cccc3C(=O)NC2=O ZINC001219005202 855511108 /nfs/dbraw/zinc/51/11/08/855511108.db2.gz GREHVIPXIDELAK-LBPRGKRZSA-N 2 0 358.423 0.681 20 0 FCADRP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219169725 855571103 /nfs/dbraw/zinc/57/11/03/855571103.db2.gz IXCXMZNFLYOUMF-AWEZNQCLSA-N 2 0 350.419 0.315 20 0 FCADRP COC(=O)c1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc2c1OC[C@H]1C[C@@H]21 ZINC001219217085 855586342 /nfs/dbraw/zinc/58/63/42/855586342.db2.gz DWDFPZCBEGNBNW-JLLWLGSASA-N 2 0 365.455 0.927 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219535890 855705804 /nfs/dbraw/zinc/70/58/04/855705804.db2.gz AQFFUCPMRURSFT-SUNKGSAMSA-N 2 0 350.444 0.227 20 0 FCADRP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219565603 855716530 /nfs/dbraw/zinc/71/65/30/855716530.db2.gz KRCRZKJCWOCVPO-GFCCVEGCSA-N 2 0 350.854 0.024 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609652 855732713 /nfs/dbraw/zinc/73/27/13/855732713.db2.gz BBDXCSNJRFTLTL-SMDDNHRTSA-N 2 0 351.369 0.990 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219608301 855732977 /nfs/dbraw/zinc/73/29/77/855732977.db2.gz UHHGUSDWYFWIMJ-XHDPSFHLSA-N 2 0 357.380 0.545 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1ccc(S(C)(=O)=O)cn1 ZINC001219716308 855783635 /nfs/dbraw/zinc/78/36/35/855783635.db2.gz JMSLLFJGMQRGHP-HNNXBMFYSA-N 2 0 356.492 0.597 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219736931 855792759 /nfs/dbraw/zinc/79/27/59/855792759.db2.gz LCYQQFQENITMRW-HZPDHXFCSA-N 2 0 364.515 0.579 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800649 855818915 /nfs/dbraw/zinc/81/89/15/855818915.db2.gz MCMISQAKLOSNAZ-HIFRSBDPSA-N 2 0 353.463 0.465 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219833362 855836863 /nfs/dbraw/zinc/83/68/63/855836863.db2.gz CIEAGFSOPOKLSG-FMCLSXCISA-N 2 0 351.369 0.038 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219834675 855837222 /nfs/dbraw/zinc/83/72/22/855837222.db2.gz RXWVSNCVOLIMRS-XFMPKHEZSA-N 2 0 365.396 0.428 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838884 855839244 /nfs/dbraw/zinc/83/92/44/855839244.db2.gz VXJXXBGWHGWBGL-BSXFFOKHSA-N 2 0 355.479 0.043 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219850677 855845467 /nfs/dbraw/zinc/84/54/67/855845467.db2.gz ZLPODQNWWSINBX-UOVPBQLFSA-N 3 0 350.507 0.191 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219904635 855873343 /nfs/dbraw/zinc/87/33/43/855873343.db2.gz JOQXIZKHIWQFSD-OAGGEKHMSA-N 2 0 357.495 0.074 20 0 FCADRP COc1cc(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc(OC)c1 ZINC001219907944 855874807 /nfs/dbraw/zinc/87/48/07/855874807.db2.gz KOZBWEJZYFFIFT-QGZVFWFLSA-N 2 0 350.463 0.113 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001129 855913028 /nfs/dbraw/zinc/91/30/28/855913028.db2.gz IHMJGEVPJLGGAH-LBPRGKRZSA-N 2 0 357.451 0.237 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220024803 855924437 /nfs/dbraw/zinc/92/44/37/855924437.db2.gz BZLCEUKSYVHWEX-VHSXEESVSA-N 2 0 354.476 0.934 20 0 FCADRP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220215109 856014446 /nfs/dbraw/zinc/01/44/46/856014446.db2.gz WSWUPIWQQNILDT-FJIDUMEYSA-N 2 0 355.523 0.941 20 0 FCADRP CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001220218683 856016673 /nfs/dbraw/zinc/01/66/73/856016673.db2.gz BNEFSJPQOQEYJH-KKUMJFAQSA-N 2 0 354.495 0.508 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220220957 856018103 /nfs/dbraw/zinc/01/81/03/856018103.db2.gz LVJBHDQIMWRZDH-ILXRZTDVSA-N 2 0 357.520 0.390 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220318884 856063739 /nfs/dbraw/zinc/06/37/39/856063739.db2.gz BJGIGYWNDGHMNT-QWQRMKEZSA-N 2 0 355.479 0.853 20 0 FCADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001220318784 856063776 /nfs/dbraw/zinc/06/37/76/856063776.db2.gz BCMMMKQGUIIHBN-VYDXJSESSA-N 2 0 353.463 0.274 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220318883 856064648 /nfs/dbraw/zinc/06/46/48/856064648.db2.gz BJGIGYWNDGHMNT-GLJUWKHASA-N 2 0 355.479 0.853 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC[NH+](C)CC1 ZINC001220345857 856077957 /nfs/dbraw/zinc/07/79/57/856077957.db2.gz QVGBBPBIQBCYPY-HNNXBMFYSA-N 3 0 356.511 0.626 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359773 856084146 /nfs/dbraw/zinc/08/41/46/856084146.db2.gz XUTQXKMIUDSLKC-RVKKMQEKSA-N 2 0 359.486 0.787 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)nn1 ZINC001220368934 856087114 /nfs/dbraw/zinc/08/71/14/856087114.db2.gz PMIIWAXJVQSTGV-STQMWFEESA-N 2 0 368.869 0.194 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001220478535 856146176 /nfs/dbraw/zinc/14/61/76/856146176.db2.gz BOSXPLGJAXODAW-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@H](N)C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535670 856171371 /nfs/dbraw/zinc/17/13/71/856171371.db2.gz IRWRGMHZDRZWQP-OAHLLOKOSA-N 2 0 368.503 0.268 20 0 FCADRP COc1cc(OC)cc([C@H](C)NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001220572764 856190269 /nfs/dbraw/zinc/19/02/69/856190269.db2.gz ARRRVYLDEREMIB-YVEFUNNKSA-N 2 0 350.463 0.631 20 0 FCADRP [NH3+]C[C@H](NC(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)c1ccc(Br)cc1 ZINC001220606916 856203347 /nfs/dbraw/zinc/20/33/47/856203347.db2.gz GVWNWKLGWFOURF-SDDRHHMPSA-N 2 0 353.220 0.539 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607744 856205070 /nfs/dbraw/zinc/20/50/70/856205070.db2.gz OLGONSDWZHHTGZ-OLZOCXBDSA-N 3 0 353.264 0.374 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2O)CC1 ZINC001220642681 856217028 /nfs/dbraw/zinc/21/70/28/856217028.db2.gz IIJHKAGNPBAILY-MSOLQXFVSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001220768615 856291275 /nfs/dbraw/zinc/29/12/75/856291275.db2.gz VKSOLZIAJAWZPP-SJORKVTESA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220772376 856292203 /nfs/dbraw/zinc/29/22/03/856292203.db2.gz QMSBSGSVHAETBR-WBVHZDCISA-N 2 0 350.463 0.738 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220798851 856307023 /nfs/dbraw/zinc/30/70/23/856307023.db2.gz IVEXGUPAVHVEQN-ZACQAIPSSA-N 2 0 357.495 0.075 20 0 FCADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C1CCC2(CC1)OCCO2 ZINC001220803176 856308097 /nfs/dbraw/zinc/30/80/97/856308097.db2.gz CKYAHQUXAYCHRX-AVGNSLFASA-N 2 0 365.396 0.904 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1csc(N2CC[NH2+]CC2)n1 ZINC001220806210 856309149 /nfs/dbraw/zinc/30/91/49/856309149.db2.gz ZAPAPAQNUIQZHV-UWVGGRQHSA-N 2 0 363.409 0.823 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220809450 856312145 /nfs/dbraw/zinc/31/21/45/856312145.db2.gz ZCEAKSLNYVMHCJ-SJORKVTESA-N 2 0 351.495 0.393 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220816830 856319137 /nfs/dbraw/zinc/31/91/37/856319137.db2.gz CRZOCNHOQIQFEX-ZACQAIPSSA-N 2 0 357.495 0.075 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC001220851280 856336517 /nfs/dbraw/zinc/33/65/17/856336517.db2.gz OOLPWAILZOPIIS-KGLIPLIRSA-N 2 0 366.487 0.234 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898277 856363580 /nfs/dbraw/zinc/36/35/80/856363580.db2.gz DPDCDORMUSJMEM-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220923317 856376855 /nfs/dbraw/zinc/37/68/55/856376855.db2.gz DXYLUSYKSJXNLA-MRXNPFEDSA-N 2 0 350.438 0.860 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936104 856384398 /nfs/dbraw/zinc/38/43/98/856384398.db2.gz CKBHUBBUCTZFFK-ONGXEEELSA-N 2 0 362.293 0.875 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O ZINC001220986090 856408849 /nfs/dbraw/zinc/40/88/49/856408849.db2.gz RQPZBJHAZCMGLH-OIISXLGYSA-N 2 0 367.515 0.420 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220994324 856411876 /nfs/dbraw/zinc/41/18/76/856411876.db2.gz LRYYAHYCTHQMBB-MSOLQXFVSA-N 2 0 353.507 0.840 20 0 FCADRP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081404 856452291 /nfs/dbraw/zinc/45/22/91/856452291.db2.gz JVQASMIECAQLDV-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081405 856453090 /nfs/dbraw/zinc/45/30/90/856453090.db2.gz JVQASMIECAQLDV-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC[NH2+]CC2)c1 ZINC001221095535 856461391 /nfs/dbraw/zinc/46/13/91/856461391.db2.gz AGCNDDMHCLYWKZ-IZHWHUGBSA-N 2 0 353.488 0.486 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]C1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148815 856484745 /nfs/dbraw/zinc/48/47/45/856484745.db2.gz PWLHRGGNTCPNBV-AWEZNQCLSA-N 2 0 366.487 0.322 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001221188550 856507173 /nfs/dbraw/zinc/50/71/73/856507173.db2.gz XJRMXAINBWPGQC-DZGCQCFKSA-N 2 0 352.435 0.141 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)[C@@H]2C1 ZINC001279269103 862804671 /nfs/dbraw/zinc/80/46/71/862804671.db2.gz JXQXRUBAXOFZFA-YLFCFFPRSA-N 2 0 351.491 0.775 20 0 FCADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001221244025 856527510 /nfs/dbraw/zinc/52/75/10/856527510.db2.gz OZFHBBGLFYPHDS-FZMZJTMJSA-N 2 0 352.401 0.763 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001221410035 856560367 /nfs/dbraw/zinc/56/03/67/856560367.db2.gz ABCDCZKCVRKVGL-KRWDZBQOSA-N 2 0 368.909 0.981 20 0 FCADRP O=C(N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001221642666 856635910 /nfs/dbraw/zinc/63/59/10/856635910.db2.gz CPZAOFRTQBOBPR-IAGOWNOFSA-N 2 0 351.491 0.404 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221664359 856644762 /nfs/dbraw/zinc/64/47/62/856644762.db2.gz QRIKNHVPUTXAFG-KZNAEPCWSA-N 2 0 353.507 0.648 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815061 856695338 /nfs/dbraw/zinc/69/53/38/856695338.db2.gz RHCLJAUUHCZCHH-IAGOWNOFSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221883663 856721402 /nfs/dbraw/zinc/72/14/02/856721402.db2.gz PQZDCDJHQXJJIO-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962388 856750771 /nfs/dbraw/zinc/75/07/71/856750771.db2.gz AUUJXWPMUBDYMT-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222809436 856874863 /nfs/dbraw/zinc/87/48/63/856874863.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 2 0 353.507 0.793 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891547 856880685 /nfs/dbraw/zinc/88/06/85/856880685.db2.gz DUHFPKWBUKVTDE-UWWQBHOKSA-N 2 0 350.507 0.728 20 0 FCADRP CCCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223570109 856925822 /nfs/dbraw/zinc/92/58/22/856925822.db2.gz JHJJYPBCWGGQGI-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223911241 856950370 /nfs/dbraw/zinc/95/03/70/856950370.db2.gz BLAOBDGFDILADE-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129603 856962215 /nfs/dbraw/zinc/96/22/15/856962215.db2.gz IZCSUZDMZMHDEP-IKGGRYGDSA-N 2 0 350.507 0.728 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028777 857138420 /nfs/dbraw/zinc/13/84/20/857138420.db2.gz MRAWENCJGZIXHB-GVDBMIGSSA-N 2 0 353.507 0.887 20 0 FCADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)CCO1 ZINC001228355476 857205345 /nfs/dbraw/zinc/20/53/45/857205345.db2.gz PJPYOBAZDMDDKI-ARFHVFGLSA-N 2 0 354.495 0.202 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355672 857205846 /nfs/dbraw/zinc/20/58/46/857205846.db2.gz RIYHCLNHQQZQLO-BZUAXINKSA-N 2 0 356.511 0.496 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228647700 857221335 /nfs/dbraw/zinc/22/13/35/857221335.db2.gz WXZVOBPIZBTIRN-OAGGEKHMSA-N 2 0 356.511 0.496 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229523779 857273542 /nfs/dbraw/zinc/27/35/42/857273542.db2.gz KFJFDKMINOSDLR-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001229692052 857282023 /nfs/dbraw/zinc/28/20/23/857282023.db2.gz DEDPXSATQBJCEJ-BRWVUGGUSA-N 2 0 350.507 0.871 20 0 FCADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)cn1 ZINC001229710191 857283448 /nfs/dbraw/zinc/28/34/48/857283448.db2.gz OLOUVMOSJRIBQO-IAGOWNOFSA-N 2 0 351.495 0.558 20 0 FCADRP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)[nH]1 ZINC001229717255 857283623 /nfs/dbraw/zinc/28/36/23/857283623.db2.gz PEQIRPOAWWLMHW-BPLDGKMQSA-N 2 0 352.483 0.769 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229717293 857284167 /nfs/dbraw/zinc/28/41/67/857284167.db2.gz QADVZZAWSKDYRT-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001229746402 857285318 /nfs/dbraw/zinc/28/53/18/857285318.db2.gz MXWZRYCCESNBBJ-KFWWJZLASA-N 2 0 352.479 0.493 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229868827 857290079 /nfs/dbraw/zinc/29/00/79/857290079.db2.gz PPOQYZYPRPRJRB-IAGOWNOFSA-N 2 0 356.511 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2nncs2)C1 ZINC001230138268 857306557 /nfs/dbraw/zinc/30/65/57/857306557.db2.gz MGSHBILYIMFUPU-YNEHKIRRSA-N 2 0 366.491 0.445 20 0 FCADRP OC[C@H]1CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)CC[NH2+]1 ZINC001235752791 857431246 /nfs/dbraw/zinc/43/12/46/857431246.db2.gz QSXLIIVPJDGPIQ-OAHLLOKOSA-N 2 0 369.307 0.625 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3nc4c(s3)C[NH2+]CC4)C[C@H]1C2 ZINC001236026372 857435818 /nfs/dbraw/zinc/43/58/18/857435818.db2.gz DHWPXKQASGVXGA-WLHTULFXSA-N 3 0 362.499 0.619 20 0 FCADRP CCC(=O)Oc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309829 857438130 /nfs/dbraw/zinc/43/81/30/857438130.db2.gz QKJOJOCWEYUZLQ-UHFFFAOYSA-N 2 0 350.463 0.618 20 0 FCADRP COc1cc(F)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236310572 857438947 /nfs/dbraw/zinc/43/89/47/857438947.db2.gz HJQWKYOGAIHJFZ-UHFFFAOYSA-N 2 0 356.442 0.459 20 0 FCADRP COC(=O)Cc1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310170 857439054 /nfs/dbraw/zinc/43/90/54/857439054.db2.gz CIHXVKWVUCZCJY-UHFFFAOYSA-N 2 0 350.463 0.018 20 0 FCADRP CC(C)(C)OC(=O)NCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310417 857439107 /nfs/dbraw/zinc/43/91/07/857439107.db2.gz YTGBZSGXHZAYAF-UHFFFAOYSA-N 2 0 359.515 0.407 20 0 FCADRP Cc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1Br ZINC001236312712 857439749 /nfs/dbraw/zinc/43/97/49/857439749.db2.gz ZYYTZELCXVLDAS-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP Cc1c(Br)cncc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312029 857439924 /nfs/dbraw/zinc/43/99/24/857439924.db2.gz MVRBOSASGXOXLP-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001237839977 857458586 /nfs/dbraw/zinc/45/85/86/857458586.db2.gz JTPDZLMYAYGBII-UHFFFAOYSA-N 2 0 356.467 0.977 20 0 FCADRP O=S(=O)(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001238201480 857464069 /nfs/dbraw/zinc/46/40/69/857464069.db2.gz GMOILHGBILZASJ-DZGCQCFKSA-N 2 0 351.472 0.914 20 0 FCADRP COC(=O)c1cncc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238242190 857465362 /nfs/dbraw/zinc/46/53/62/857465362.db2.gz NIVQBVHVCLZZPQ-ZDUSSCGKSA-N 2 0 368.459 0.021 20 0 FCADRP COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238244210 857466023 /nfs/dbraw/zinc/46/60/23/857466023.db2.gz XXDPHVOOVAMJHK-LLVKDONJSA-N 2 0 373.500 0.687 20 0 FCADRP COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1F ZINC001238243958 857466214 /nfs/dbraw/zinc/46/62/14/857466214.db2.gz XBCLWCJNTCUATH-GFCCVEGCSA-N 2 0 357.451 0.987 20 0 FCADRP COc1ccccc1CC1(CNS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001238851917 857484813 /nfs/dbraw/zinc/48/48/13/857484813.db2.gz FZXMAWDNQIZBCZ-MRXNPFEDSA-N 2 0 367.515 0.889 20 0 FCADRP COc1ccccc1CC1(CNS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001238851915 857484881 /nfs/dbraw/zinc/48/48/81/857484881.db2.gz FZXMAWDNQIZBCZ-INIZCTEOSA-N 2 0 367.515 0.889 20 0 FCADRP COc1ccccc1C1(CNS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001238850160 857484980 /nfs/dbraw/zinc/48/49/80/857484980.db2.gz GVYXZNVDBQLELV-AWEZNQCLSA-N 2 0 353.488 0.598 20 0 FCADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001239082796 857510465 /nfs/dbraw/zinc/51/04/65/857510465.db2.gz OBYIYAWUVYDNHP-OAHLLOKOSA-N 2 0 367.519 0.813 20 0 FCADRP CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1 ZINC001239097358 857513384 /nfs/dbraw/zinc/51/33/84/857513384.db2.gz QOZWKUQREMGAHC-UHFFFAOYSA-N 2 0 357.480 0.468 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241614671 857540527 /nfs/dbraw/zinc/54/05/27/857540527.db2.gz QDWKUHSOPFHFFT-UHFFFAOYSA-N 2 0 361.471 0.725 20 0 FCADRP O[C@@H](CNc1c(F)cccc1O[C@@H]1CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245968040 857561632 /nfs/dbraw/zinc/56/16/32/857561632.db2.gz LYZQYFQNYULQPR-ZIAGYGMSSA-N 2 0 353.438 0.844 20 0 FCADRP O[C@H](CNc1cccc(F)c1O[C@@H]1CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245970576 857562054 /nfs/dbraw/zinc/56/20/54/857562054.db2.gz JFPKUOBOJLKGFR-UONOGXRCSA-N 2 0 353.438 0.844 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047448 857566002 /nfs/dbraw/zinc/56/60/02/857566002.db2.gz DZZRPETUZIWAOC-FGTMMUONSA-N 2 0 354.445 0.303 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN(C1COC1)C1CC[NH2+]CC1 ZINC001246043843 857566213 /nfs/dbraw/zinc/56/62/13/857566213.db2.gz CQCKOLKWGBLWTP-ZWKOTPCHSA-N 2 0 355.429 0.648 20 0 FCADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246051400 857567457 /nfs/dbraw/zinc/56/74/57/857567457.db2.gz GGLPCBDWTVBIJY-BJKJVOPESA-N 2 0 357.401 0.018 20 0 FCADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H](O)c1ccc(Br)cc1 ZINC001246078362 857568372 /nfs/dbraw/zinc/56/83/72/857568372.db2.gz HRLULRJOWBGZTR-KKUMJFAQSA-N 2 0 370.291 0.527 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246199063 857569862 /nfs/dbraw/zinc/56/98/62/857569862.db2.gz HNUKAJQKPDYZLX-QUDYCNLTSA-N 2 0 353.463 0.189 20 0 FCADRP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246199060 857570058 /nfs/dbraw/zinc/57/00/58/857570058.db2.gz HNUKAJQKPDYZLX-CNYPHPDHSA-N 2 0 353.463 0.189 20 0 FCADRP CC(C)([NH3+])CN([C@@H]1CCNC2(C[NH2+]C2)C1)S(=O)(=O)c1ccccc1 ZINC001246291486 857572332 /nfs/dbraw/zinc/57/23/32/857572332.db2.gz TWKMMWGJFSATDC-CQSZACIVSA-N 2 0 352.504 0.509 20 0 FCADRP COC(=O)[C@@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246328340 857574167 /nfs/dbraw/zinc/57/41/67/857574167.db2.gz LBNYCPSCABNERY-BJWPUDQFSA-N 2 0 353.463 0.189 20 0 FCADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001246315361 857574243 /nfs/dbraw/zinc/57/42/43/857574243.db2.gz SZOSBZNXOFWKBK-QWHCGFSZSA-N 2 0 350.467 0.319 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246519666 857583611 /nfs/dbraw/zinc/58/36/11/857583611.db2.gz NVCCXQJLVKZAAP-JYJNAYRXSA-N 2 0 354.495 0.380 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1C[NH2+]CCC2 ZINC001246599132 857586265 /nfs/dbraw/zinc/58/62/65/857586265.db2.gz ATXDEDMYQNHCIK-XSWJXKHESA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)c1nc2c(s1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246658709 857588033 /nfs/dbraw/zinc/58/80/33/857588033.db2.gz AJQXRUQFPLCDIO-LBPRGKRZSA-N 2 0 350.488 0.814 20 0 FCADRP CCOC(=O)c1nc2c(s1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246658692 857588169 /nfs/dbraw/zinc/58/81/69/857588169.db2.gz AJQXRUQFPLCDIO-GFCCVEGCSA-N 2 0 350.488 0.814 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700548 857592733 /nfs/dbraw/zinc/59/27/33/857592733.db2.gz GYBYYHGOGWDTHS-RXYDEIHYSA-N 2 0 351.491 0.998 20 0 FCADRP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)[C@H]1CCC[NH2+]C1 ZINC001246739166 857595643 /nfs/dbraw/zinc/59/56/43/857595643.db2.gz NNSVPDIPNPFXRD-ZMSDIMECSA-N 2 0 357.520 0.834 20 0 FCADRP O=C(c1cscn1)N1CC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246772496 857599803 /nfs/dbraw/zinc/59/98/03/857599803.db2.gz AIUGIQKUTZPEHK-KFWWJZLASA-N 2 0 361.515 0.631 20 0 FCADRP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)N2 ZINC001246869651 857604560 /nfs/dbraw/zinc/60/45/60/857604560.db2.gz GRNRAZAWQFPNPZ-RGUZKJPTSA-N 2 0 350.507 0.414 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1COc2ccc(Cl)cc2C1 ZINC001246926433 857606504 /nfs/dbraw/zinc/60/65/04/857606504.db2.gz TYQHMVHFHDOEPS-HNNXBMFYSA-N 2 0 354.882 0.759 20 0 FCADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940754 857606860 /nfs/dbraw/zinc/60/68/60/857606860.db2.gz VAUAQBZMLHLHFG-NVXWUHKLSA-N 3 0 350.507 0.430 20 0 FCADRP O=C([C@@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246967064 857607915 /nfs/dbraw/zinc/60/79/15/857607915.db2.gz SUMHWRXLWDZFOX-ULQDDVLXSA-N 2 0 361.515 0.509 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N(CC[NH+](C)C)[C@H]3CCC[NH2+]C3)C[C@H](C1)[NH2+]2 ZINC001246985560 857608605 /nfs/dbraw/zinc/60/86/05/857608605.db2.gz KYQXLPAOURWCCT-RGUZKJPTSA-N 3 0 352.523 0.674 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CCN1 ZINC001246993045 857608658 /nfs/dbraw/zinc/60/86/58/857608658.db2.gz JVEZMGHQNVBPST-ROUUACIJSA-N 2 0 352.523 0.818 20 0 FCADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CN[C@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007263 857608913 /nfs/dbraw/zinc/60/89/13/857608913.db2.gz KBJZTCVMWSVUGH-GLJUWKHASA-N 2 0 353.463 0.145 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001249834489 857651240 /nfs/dbraw/zinc/65/12/40/857651240.db2.gz MEFAVRLTRAHANZ-UHFFFAOYSA-N 2 0 365.547 0.247 20 0 FCADRP CC(C)[NH+]1CCN(CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251627304 857736549 /nfs/dbraw/zinc/73/65/49/857736549.db2.gz MSTTXFRXHZRQJI-ZDUSSCGKSA-N 2 0 359.408 0.880 20 0 FCADRP CN(C(=O)COCC(=O)N(C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC001251677922 857741657 /nfs/dbraw/zinc/74/16/57/857741657.db2.gz DQVSXSJOEDXMBX-UHFFFAOYSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001251779940 857750607 /nfs/dbraw/zinc/75/06/07/857750607.db2.gz WSUGALVENISFNX-ARFHVFGLSA-N 2 0 353.511 0.746 20 0 FCADRP COC(CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2)OC ZINC001279585635 862969371 /nfs/dbraw/zinc/96/93/71/862969371.db2.gz NIYNWMVCGXNOAS-OWCLPIDISA-N 2 0 353.463 0.001 20 0 FCADRP CCOC(=O)CN1CCC([NH+]2CCC([NH3+])(CC(=O)OCC)CC2)CC1 ZINC001254402390 857969196 /nfs/dbraw/zinc/96/91/96/857969196.db2.gz UDXZVGRHANCBRT-UHFFFAOYSA-N 2 0 355.479 0.760 20 0 FCADRP C[N@@H+]1CC[C@H](N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255432126 858010507 /nfs/dbraw/zinc/01/05/07/858010507.db2.gz PJLHIZUZGFLXIZ-ZMSDIMECSA-N 2 0 357.520 0.786 20 0 FCADRP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001279609922 862977478 /nfs/dbraw/zinc/97/74/78/862977478.db2.gz ZTSVLJGQFHNOFP-QGZVFWFLSA-N 2 0 358.552 0.923 20 0 FCADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001255948081 858041120 /nfs/dbraw/zinc/04/11/20/858041120.db2.gz DTHHINZESYBPLG-AWEZNQCLSA-N 2 0 353.467 0.084 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)O1 ZINC001255975852 858043304 /nfs/dbraw/zinc/04/33/04/858043304.db2.gz FIWWNMODVMQUSE-JHJVBQTASA-N 2 0 353.385 0.854 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CCC3(C[NH+](CC4CC[NH2+]CC4)C3)C2)c1 ZINC001279615198 862980540 /nfs/dbraw/zinc/98/05/40/862980540.db2.gz NMSAEENYYMMWSU-UHFFFAOYSA-N 2 0 353.492 0.116 20 0 FCADRP O=C(NCC(F)(F)F)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001279614814 862980782 /nfs/dbraw/zinc/98/07/82/862980782.db2.gz FIYUGKHXSLHOMN-OLZOCXBDSA-N 2 0 350.385 0.643 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256500526 858085347 /nfs/dbraw/zinc/08/53/47/858085347.db2.gz KFYBZHFSKFCDGW-KBPBESRZSA-N 2 0 358.483 0.408 20 0 FCADRP COCCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001257725545 858156928 /nfs/dbraw/zinc/15/69/28/858156928.db2.gz CUAMWQFXGZCYNC-RBSFLKMASA-N 2 0 356.463 0.947 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[C@H]1C(=O)OC ZINC001257724175 858157146 /nfs/dbraw/zinc/15/71/46/858157146.db2.gz MQAFSAXWLWIEAK-BZUAXINKSA-N 2 0 355.479 0.344 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001257924115 858165890 /nfs/dbraw/zinc/16/58/90/858165890.db2.gz UAWWHLASILXALM-HNNXBMFYSA-N 2 0 365.540 0.345 20 0 FCADRP COCCCC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279728386 863028220 /nfs/dbraw/zinc/02/82/20/863028220.db2.gz ZZUJAMBLZCWWQD-QGZVFWFLSA-N 2 0 353.507 0.962 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001261436158 858548195 /nfs/dbraw/zinc/54/81/95/858548195.db2.gz RMNHDIYYNZEZPW-UHFFFAOYSA-N 2 0 367.515 0.468 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1(C)C ZINC001261474607 858561260 /nfs/dbraw/zinc/56/12/60/858561260.db2.gz GXISAOHSNYJUJB-CKEIUWERSA-N 2 0 350.467 0.433 20 0 FCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001262008103 858756478 /nfs/dbraw/zinc/75/64/78/858756478.db2.gz AUMXTELOPCNBFA-ONGXEEELSA-N 2 0 360.384 0.912 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC001262064361 858769355 /nfs/dbraw/zinc/76/93/55/858769355.db2.gz YWMOSNFLDCMJQT-LSDHHAIUSA-N 2 0 356.511 0.483 20 0 FCADRP Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001262888599 859062859 /nfs/dbraw/zinc/06/28/59/859062859.db2.gz ZBJZOMXNIOUVSQ-UHFFFAOYSA-N 2 0 350.511 0.907 20 0 FCADRP O=C(NCC1(O)C[NH2+]C1)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001263153743 859112296 /nfs/dbraw/zinc/11/22/96/859112296.db2.gz VOCKQPGWLUJSFZ-UHFFFAOYSA-N 2 0 368.275 0.521 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001264650194 859414412 /nfs/dbraw/zinc/41/44/12/859414412.db2.gz IMZFMNHFFSPMGR-SJORKVTESA-N 2 0 371.547 0.543 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H]3CCCN(C)C3=O)CCCC2)CC[N@@H+]1C ZINC001268035653 859522634 /nfs/dbraw/zinc/52/26/34/859522634.db2.gz CPAJYZMNQAGKBJ-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[C@@H](CC)C[N@@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]21 ZINC001269992768 859624976 /nfs/dbraw/zinc/62/49/76/859624976.db2.gz YBFCPVUZGMKKHZ-PMPSAXMXSA-N 2 0 353.511 0.940 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001270062058 859639838 /nfs/dbraw/zinc/63/98/38/859639838.db2.gz WALPFQJECUZAAQ-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)C1=O ZINC001273404089 860479712 /nfs/dbraw/zinc/47/97/12/860479712.db2.gz TXQQYINVERXCQC-DNVCBOLYSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)[NH+]1CCCC1 ZINC001273500743 860510029 /nfs/dbraw/zinc/51/00/29/860510029.db2.gz HMHYCJHWZVMTFX-HKUYNNGSSA-N 2 0 352.523 0.726 20 0 FCADRP CC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001273666490 860561501 /nfs/dbraw/zinc/56/15/01/860561501.db2.gz MVFWFMQUBFJFSF-IDCJVQTKSA-N 2 0 350.507 0.679 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001273848446 860617265 /nfs/dbraw/zinc/61/72/65/860617265.db2.gz QVKZUUHYBWKFNX-ROUUACIJSA-N 2 0 351.539 0.249 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001275222794 860993406 /nfs/dbraw/zinc/99/34/06/860993406.db2.gz MGABUDCCSRQFDX-SOLBZPMBSA-N 2 0 352.523 0.831 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286682 861011631 /nfs/dbraw/zinc/01/16/31/861011631.db2.gz BCVOFAZRTVWLJI-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555518 861126553 /nfs/dbraw/zinc/12/65/53/861126553.db2.gz CCWQCKHOWRFHDE-LJQANCHMSA-N 3 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275555868 861127552 /nfs/dbraw/zinc/12/75/52/861127552.db2.gz DGZVFRMXNKYOAV-LJQANCHMSA-N 3 0 352.523 0.441 20 0 FCADRP O=C1CO[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)CN1CC1CCOCC1 ZINC001275736104 861178664 /nfs/dbraw/zinc/17/86/64/861178664.db2.gz AVJMYRVQTOTMJC-LJQANCHMSA-N 2 0 351.491 0.716 20 0 FCADRP CCN(CC)C(=O)CN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737149 861180292 /nfs/dbraw/zinc/18/02/92/861180292.db2.gz INYOJIVBSYNYGC-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CN(C)C(=O)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737650 861180809 /nfs/dbraw/zinc/18/08/09/861180809.db2.gz NBXUDNRXADJBMI-IBGZPJMESA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)(C)C(=O)OCN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001275737872 861182166 /nfs/dbraw/zinc/18/21/66/861182166.db2.gz QABKOOGLHPIJAW-UHFFFAOYSA-N 2 0 353.463 0.446 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001279914693 863133613 /nfs/dbraw/zinc/13/36/13/863133613.db2.gz UWLDZPBLDWYEMJ-ALXJQNPVSA-N 2 0 352.523 0.833 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001279914656 863133913 /nfs/dbraw/zinc/13/39/13/863133913.db2.gz SUPZGJLXRTWHSE-INIZCTEOSA-N 2 0 350.507 0.729 20 0 FCADRP COCCC[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280094910 863261564 /nfs/dbraw/zinc/26/15/64/863261564.db2.gz CBWUFPGJIDWZRO-MLHJIOFPSA-N 2 0 353.507 0.789 20 0 FCADRP COCCC[NH+]1CC2(C1)CCOC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280096589 863263145 /nfs/dbraw/zinc/26/31/45/863263145.db2.gz PHFLHVIJGSTUDH-KRWDZBQOSA-N 2 0 353.507 0.914 20 0 FCADRP Cc1ncsc1C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@@H]2C1 ZINC001280188649 863317848 /nfs/dbraw/zinc/31/78/48/863317848.db2.gz IOKYXEPMYNIGTR-NWANDNLSSA-N 2 0 364.515 0.845 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280219378 863345437 /nfs/dbraw/zinc/34/54/37/863345437.db2.gz QNRWXDVMYNNFFE-KSZLIROESA-N 2 0 350.507 0.334 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246459 863357600 /nfs/dbraw/zinc/35/76/00/863357600.db2.gz ZCPCMZMLMZTWPC-HXUWFJFHSA-N 3 0 351.583 0.973 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001281848909 863820038 /nfs/dbraw/zinc/82/00/38/863820038.db2.gz YAFCZVKBSHIYJY-BFYDXBDKSA-N 2 0 356.511 0.256 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC001282300776 864178225 /nfs/dbraw/zinc/17/82/25/864178225.db2.gz DQYPLJAFGFUEKA-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[NH+]3C)CCCC2)CC[N@@H+]1C ZINC001285116129 864611001 /nfs/dbraw/zinc/61/10/01/864611001.db2.gz SDRYFLSITRAHIY-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285229668 864616447 /nfs/dbraw/zinc/61/64/47/864616447.db2.gz VDMMNPQFIUXBST-GVDBMIGSSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001285934675 864657830 /nfs/dbraw/zinc/65/78/30/864657830.db2.gz OQYXUVAKOUXMQJ-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289535515 865123485 /nfs/dbraw/zinc/12/34/85/865123485.db2.gz IAHZVOIFWRVMBC-HZPDHXFCSA-N 2 0 354.495 0.155 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1)[NH+](C)C ZINC001290540452 865443940 /nfs/dbraw/zinc/44/39/40/865443940.db2.gz WIPGGBQKVMYQHZ-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001294758893 865854242 /nfs/dbraw/zinc/85/42/42/865854242.db2.gz VLMGZURLOCUPDU-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@@H+]1C ZINC001294925781 865864296 /nfs/dbraw/zinc/86/42/96/865864296.db2.gz UVFWQADMOADINK-BMFZPTHFSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@@H+]1C ZINC001294925783 865864374 /nfs/dbraw/zinc/86/43/74/865864374.db2.gz UVFWQADMOADINK-FVQBIDKESA-N 2 0 350.507 0.679 20 0 FCADRP [NH3+]CCN(CC(F)(F)F)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001349838854 866456567 /nfs/dbraw/zinc/45/65/67/866456567.db2.gz KSWYXMUYHNOHJS-UHFFFAOYSA-N 2 0 359.396 0.943 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001351129561 866787066 /nfs/dbraw/zinc/78/70/66/866787066.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 0 355.527 0.421 20 0 FCADRP O=C(NC/C=C\Cl)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001351142352 866791088 /nfs/dbraw/zinc/79/10/88/866791088.db2.gz QDCRHCLBNHLICN-KTAJNNJTSA-N 2 0 365.865 0.579 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001351786632 866967911 /nfs/dbraw/zinc/96/79/11/866967911.db2.gz GNCUKLCBYMIHFI-CGTJXYLNSA-N 2 0 351.539 0.994 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001353149408 867360448 /nfs/dbraw/zinc/36/04/48/867360448.db2.gz MDCADLIJXLJGND-AOIWGVFYSA-N 2 0 350.507 0.289 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001316596995 867361444 /nfs/dbraw/zinc/36/14/44/867361444.db2.gz SCVCFHJTKFWDNC-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP CC1(C)CN(CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCO1 ZINC001353311137 867392484 /nfs/dbraw/zinc/39/24/84/867392484.db2.gz NVIYIOCNYRNUMH-HNNXBMFYSA-N 2 0 354.495 0.555 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001353507472 867439186 /nfs/dbraw/zinc/43/91/86/867439186.db2.gz NHWFAWQSKDLKNJ-IKGGRYGDSA-N 2 0 353.511 0.162 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC001319325324 867886804 /nfs/dbraw/zinc/88/68/04/867886804.db2.gz QEZMCKOMIDAHDG-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1C[N@H+](C)CCN1C ZINC001356254197 867964543 /nfs/dbraw/zinc/96/45/43/867964543.db2.gz SDLHVCFPOQHIDS-IUODEOHRSA-N 2 0 351.520 0.974 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325398557 869876027 /nfs/dbraw/zinc/87/60/27/869876027.db2.gz BATVBLPYZDKXON-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001325680275 869982504 /nfs/dbraw/zinc/98/25/04/869982504.db2.gz CKOJBDFDKKLDIG-AWEZNQCLSA-N 2 0 355.527 0.910 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1)CC[NH2+]CC2 ZINC001325862026 870066469 /nfs/dbraw/zinc/06/64/69/870066469.db2.gz FXZRSEMZQDAQHO-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)CC[NH2+]CC2 ZINC001326139883 870180939 /nfs/dbraw/zinc/18/09/39/870180939.db2.gz CSKQHIOTBHMDFD-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001327126078 870679428 /nfs/dbraw/zinc/67/94/28/870679428.db2.gz VBCDOBBQAAOPMY-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001344276286 870798769 /nfs/dbraw/zinc/79/87/69/870798769.db2.gz QSPCVUFQIGHWMH-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001344727523 870997139 /nfs/dbraw/zinc/99/71/39/870997139.db2.gz HOUPEMMUXXZCGA-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC001344784721 871026041 /nfs/dbraw/zinc/02/60/41/871026041.db2.gz PPFUSMRWHSGJIS-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001345184272 871216981 /nfs/dbraw/zinc/21/69/81/871216981.db2.gz HEKKEXYZRQYSBH-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)CO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001328387268 871402260 /nfs/dbraw/zinc/40/22/60/871402260.db2.gz VRFQGMBTXHFJNM-INIZCTEOSA-N 2 0 356.511 0.212 20 0 FCADRP C[NH+](C)CC1CN(C(=O)CCCCCC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC001328721239 871596088 /nfs/dbraw/zinc/59/60/88/871596088.db2.gz GVNHRHHBDXXCNU-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001328799776 871632567 /nfs/dbraw/zinc/63/25/67/871632567.db2.gz OPKHHAFBAMKUPY-QBPKDAKJSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346265014 871737646 /nfs/dbraw/zinc/73/76/46/871737646.db2.gz RTZNBFVSMILSBK-CVEARBPZSA-N 2 0 353.511 0.761 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001329251963 871912348 /nfs/dbraw/zinc/91/23/48/871912348.db2.gz DOTHKWRXFNPURI-MHORFTMASA-N 2 0 374.598 0.045 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001329379119 871989416 /nfs/dbraw/zinc/98/94/16/871989416.db2.gz QTHFQVGIYAGVQI-ZYHUDNBSSA-N 2 0 358.430 0.374 20 0 FCADRP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329491446 872065772 /nfs/dbraw/zinc/06/57/72/872065772.db2.gz SFKUWFQJVOUWBO-CABCVRRESA-N 2 0 357.520 0.486 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)[C@H]1CCC[NH2+]1 ZINC001329491947 872065577 /nfs/dbraw/zinc/06/55/77/872065577.db2.gz YPKBTKKLVAKAMN-JKSUJKDBSA-N 2 0 357.520 0.391 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC001347058191 872138994 /nfs/dbraw/zinc/13/89/94/872138994.db2.gz IGMQITAXARDOOF-PBHICJAKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1C[N@H+](C)CCN1C ZINC001347186439 872210112 /nfs/dbraw/zinc/21/01/12/872210112.db2.gz NEAKXFPMBNEYFG-YESZJQIVSA-N 2 0 355.527 0.373 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC001347620645 872421943 /nfs/dbraw/zinc/42/19/43/872421943.db2.gz LIWKFAYYYXOXJS-IRXDYDNUSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001330589948 872721315 /nfs/dbraw/zinc/72/13/15/872721315.db2.gz ZIHNURHTWUQLOX-MWLCHTKSSA-N 2 0 358.393 0.328 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC001330754455 872795802 /nfs/dbraw/zinc/79/58/02/872795802.db2.gz CJYQBQVFFCSCQR-KRWDZBQOSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331222576 873018227 /nfs/dbraw/zinc/01/82/27/873018227.db2.gz XGKUYXNWEKDHQK-OTVXOJSOSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC001331469497 873116830 /nfs/dbraw/zinc/11/68/30/873116830.db2.gz HHLYOPHDTVOSBZ-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001331605397 873159746 /nfs/dbraw/zinc/15/97/46/873159746.db2.gz ZVPYHGTYTYJXKQ-VNQPRFMTSA-N 2 0 352.479 0.132 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001332209449 873410533 /nfs/dbraw/zinc/41/05/33/873410533.db2.gz VVXZFLLHVBCTMK-MUJYYYPQSA-N 2 0 350.507 0.871 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@H]1C(F)(F)F ZINC001333352805 873919740 /nfs/dbraw/zinc/91/97/40/873919740.db2.gz NZEBSXRWUCJNAM-ZYHUDNBSSA-N 2 0 360.384 0.802 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821599363 945737179 /nfs/dbraw/zinc/73/71/79/945737179.db2.gz PYZVLGJIKZUFHF-UHFFFAOYSA-N 2 0 359.478 0.815 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826038389 947416880 /nfs/dbraw/zinc/41/68/80/947416880.db2.gz MLRAXSKGBLTKFU-KRWDZBQOSA-N 2 0 359.478 0.469 20 0 FCADRP C[C@@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573604737 947515914 /nfs/dbraw/zinc/51/59/14/947515914.db2.gz QNCVYNAVYPSVPU-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574925761 948976667 /nfs/dbraw/zinc/97/66/67/948976667.db2.gz DECKFGAQHOEWOS-NSHDSACASA-N 2 0 351.480 0.863 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926848 949025750 /nfs/dbraw/zinc/02/57/50/949025750.db2.gz YTULKASEMVFJHW-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574692762 949042527 /nfs/dbraw/zinc/04/25/27/949042527.db2.gz BWGIETUTRUWFMY-CYBMUJFWSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270287 949583450 /nfs/dbraw/zinc/58/34/50/949583450.db2.gz CCYUKSDTLLZVNK-CYBMUJFWSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713104 949592604 /nfs/dbraw/zinc/59/26/04/949592604.db2.gz VYDRWWMHNCWHNE-CJNGLKHVSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957338 949608688 /nfs/dbraw/zinc/60/86/88/949608688.db2.gz VIZBBBWNRCLCKF-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717003 949719179 /nfs/dbraw/zinc/71/91/79/949719179.db2.gz NOLLXYHSCXKNRX-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574963334 949749182 /nfs/dbraw/zinc/74/91/82/949749182.db2.gz IKLZZKNMIJFFNG-IHRRRGAJSA-N 2 0 372.477 0.933 20 0 FCADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283680 949879627 /nfs/dbraw/zinc/87/96/27/949879627.db2.gz GRRWZHIMYYFKOF-CHWSQXEVSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908402 950362712 /nfs/dbraw/zinc/36/27/12/950362712.db2.gz BWEMONMVOPDADP-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908404 950366042 /nfs/dbraw/zinc/36/60/42/950366042.db2.gz BWEMONMVOPDADP-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570973974 950399084 /nfs/dbraw/zinc/39/90/84/950399084.db2.gz IVHMFOKLPKMTAM-HZPDHXFCSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974291 950405639 /nfs/dbraw/zinc/40/56/39/950405639.db2.gz LXCCPSQBBWIVRQ-JKSUJKDBSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001570975152 950432893 /nfs/dbraw/zinc/43/28/93/950432893.db2.gz YZPRNOPZWNAUSK-JKSUJKDBSA-N 2 0 355.446 0.651 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205159 950496459 /nfs/dbraw/zinc/49/64/59/950496459.db2.gz VSXINZYMYZYGGB-BLLLJJGKSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570981061 950567961 /nfs/dbraw/zinc/56/79/61/950567961.db2.gz BAKIAENZNXAIOH-HNNXBMFYSA-N 2 0 356.434 0.181 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981381 950587734 /nfs/dbraw/zinc/58/77/34/950587734.db2.gz KTJYSFPOTAYICO-IUODEOHRSA-N 2 0 356.434 0.181 20 0 FCADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981808 950617845 /nfs/dbraw/zinc/61/78/45/950617845.db2.gz VPHCKJJRRKJTMF-QOZQQMKHSA-N 2 0 356.434 0.179 20 0 FCADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098973 951828374 /nfs/dbraw/zinc/82/83/74/951828374.db2.gz GNAPCIUATWNGNK-LLVKDONJSA-N 2 0 351.480 0.722 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571064635 951977381 /nfs/dbraw/zinc/97/73/81/951977381.db2.gz VXJOGPVLDHMWSS-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571078990 952137420 /nfs/dbraw/zinc/13/74/20/952137420.db2.gz ZYHIMTKVYKXDCH-MGPQQGTHSA-N 2 0 370.461 0.475 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001575144108 952163063 /nfs/dbraw/zinc/16/30/63/952163063.db2.gz GLGVKNOSOCLIER-LBPRGKRZSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575147782 952200741 /nfs/dbraw/zinc/20/07/41/952200741.db2.gz WAFLJENLOXSBIX-UONOGXRCSA-N 2 0 372.477 0.817 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001571088514 952213090 /nfs/dbraw/zinc/21/30/90/952213090.db2.gz MGWPRUOGRRTHQA-GOSISDBHSA-N 2 0 371.489 0.612 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105219 952391240 /nfs/dbraw/zinc/39/12/40/952391240.db2.gz KEABLVIRZITION-XJKSGUPXSA-N 2 0 373.436 0.791 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001593775414 954603894 /nfs/dbraw/zinc/60/38/94/954603894.db2.gz OLQMAFUQUSIBIG-UHFFFAOYSA-N 2 0 369.510 0.203 20 0 FCADRP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC[C@H]21 ZINC000410780695 529799673 /nfs/dbraw/zinc/79/96/73/529799673.db2.gz UYORHUIBYWGXRB-BRSBDYLESA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C/C=C/C(=O)NCc1csc(NC(=O)/C=C/C[NH+](C)C)n1 ZINC000265667773 210192691 /nfs/dbraw/zinc/19/26/91/210192691.db2.gz GNGXDSYRDGQVEY-KQQUZDAGSA-N 2 0 351.476 0.933 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779164 529886399 /nfs/dbraw/zinc/88/63/99/529886399.db2.gz HLIIRJUTHUIDPM-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000410752682 529931093 /nfs/dbraw/zinc/93/10/93/529931093.db2.gz IFBYIGAKTFFCCW-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)C2)CC1 ZINC000410930028 530050984 /nfs/dbraw/zinc/05/09/84/530050984.db2.gz PCIFMARFQJLUOU-ROUUACIJSA-N 2 0 360.502 0.649 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331466915 215001452 /nfs/dbraw/zinc/00/14/52/215001452.db2.gz VKKBATPNCCWSRO-DRRXZNNHSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331521105 215008953 /nfs/dbraw/zinc/00/89/53/215008953.db2.gz VWGOWVAQHYKSIK-HOCLYGCPSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCSC1 ZINC000331540178 215011461 /nfs/dbraw/zinc/01/14/61/215011461.db2.gz PKIXURVDXPGELU-KEYYUXOJSA-N 2 0 354.520 0.093 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)C2)CC1 ZINC000331709626 215037641 /nfs/dbraw/zinc/03/76/41/215037641.db2.gz YAQSPKSYUTVMLR-MRXNPFEDSA-N 2 0 350.507 0.683 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)CC1 ZINC000331794191 215046774 /nfs/dbraw/zinc/04/67/74/215046774.db2.gz OQJLLTBGBJYGDI-SJORKVTESA-N 2 0 350.507 0.764 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000331836199 215054603 /nfs/dbraw/zinc/05/46/03/215054603.db2.gz STSYEIAJFLVTEV-IRXDYDNUSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)([NH+](C)C)C1 ZINC000331886211 215062407 /nfs/dbraw/zinc/06/24/07/215062407.db2.gz CZJCOOFYFKXXPO-DRMAHVMPSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331909570 215066222 /nfs/dbraw/zinc/06/62/22/215066222.db2.gz AOEPHVUORYGHEJ-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000331970179 215072909 /nfs/dbraw/zinc/07/29/09/215072909.db2.gz JGHHZZGQNUFCKA-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000264938454 210020462 /nfs/dbraw/zinc/02/04/62/210020462.db2.gz VCGCPBDDXZVAEZ-UHFFFAOYSA-N 2 0 360.480 0.273 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000332155538 215102488 /nfs/dbraw/zinc/10/24/88/215102488.db2.gz ODTMZFLCVAAVFS-LTIDMASMSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332162035 215103042 /nfs/dbraw/zinc/10/30/42/215103042.db2.gz QCNJOAQSQQJHJT-RDJZCZTQSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000332156682 215103351 /nfs/dbraw/zinc/10/33/51/215103351.db2.gz ONTXAVCTFFVVQK-GPMSIDNRSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000332156684 215103651 /nfs/dbraw/zinc/10/36/51/215103651.db2.gz ONTXAVCTFFVVQK-JTDSTZFVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H](C)C1 ZINC000332343397 215133508 /nfs/dbraw/zinc/13/35/08/215133508.db2.gz SOIJRXKNFTURDZ-WOYTXXSLSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000332519929 215166066 /nfs/dbraw/zinc/16/60/66/215166066.db2.gz BTNJRHWALGRQBN-WBVHZDCISA-N 2 0 366.506 0.251 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332507654 215163492 /nfs/dbraw/zinc/16/34/92/215163492.db2.gz TWRYVEVLHUJRQA-RDJZCZTQSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000332552727 215179001 /nfs/dbraw/zinc/17/90/01/215179001.db2.gz QGIUFXSWQIFFHQ-BZUAXINKSA-N 2 0 366.506 0.141 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000332704072 215206282 /nfs/dbraw/zinc/20/62/82/215206282.db2.gz XRAWEXPQZMYSOE-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000332849541 215215288 /nfs/dbraw/zinc/21/52/88/215215288.db2.gz UUVLAAMGAIHIJF-YESZJQIVSA-N 2 0 368.522 0.584 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000332849540 215215379 /nfs/dbraw/zinc/21/53/79/215215379.db2.gz UUVLAAMGAIHIJF-IXDOHACOSA-N 2 0 368.522 0.584 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@H]21 ZINC000333258748 215255540 /nfs/dbraw/zinc/25/55/40/215255540.db2.gz DOSBWVNNXMWMDM-GDBMZVCRSA-N 2 0 359.478 0.834 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333279526 215258143 /nfs/dbraw/zinc/25/81/43/215258143.db2.gz HIYJZYLFBVUSEY-ZBFHGGJFSA-N 2 0 359.478 0.977 20 0 FCADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333298080 215260449 /nfs/dbraw/zinc/26/04/49/215260449.db2.gz KANAQZPUBDYWJV-HOCLYGCPSA-N 2 0 359.478 0.977 20 0 FCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333373540 215271938 /nfs/dbraw/zinc/27/19/38/215271938.db2.gz MUOPDNQPLTTWEI-UHFFFAOYSA-N 2 0 366.506 0.653 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000333381182 215272333 /nfs/dbraw/zinc/27/23/33/215272333.db2.gz NORIXNFGGWVSIG-INIZCTEOSA-N 2 0 351.495 0.465 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333767767 215317705 /nfs/dbraw/zinc/31/77/05/215317705.db2.gz BNALVOHFPHABSU-FGTMMUONSA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333873299 215327481 /nfs/dbraw/zinc/32/74/81/215327481.db2.gz UWZRHKAALZKPMF-AEFFLSMTSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333902304 215329529 /nfs/dbraw/zinc/32/95/29/215329529.db2.gz ZLRGVJDBQNUDLM-GDBMZVCRSA-N 2 0 351.495 0.513 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000333933070 215331552 /nfs/dbraw/zinc/33/15/52/215331552.db2.gz HLIFMPOSQYZSQW-CVEARBPZSA-N 2 0 351.495 0.182 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000333935191 215331804 /nfs/dbraw/zinc/33/18/04/215331804.db2.gz JGMGRWCLZUJSMH-INIZCTEOSA-N 2 0 351.495 0.324 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773217 213393625 /nfs/dbraw/zinc/39/36/25/213393625.db2.gz FDLBMYYIZQEUJL-RDJZCZTQSA-N 2 0 359.474 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000334128385 215347312 /nfs/dbraw/zinc/34/73/12/215347312.db2.gz RHZYCDJRHKATRP-IAGOWNOFSA-N 2 0 367.538 0.375 20 0 FCADRP C[N@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972399 215377064 /nfs/dbraw/zinc/37/70/64/215377064.db2.gz LWBCEXQKLDIDNF-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545929 213356476 /nfs/dbraw/zinc/35/64/76/213356476.db2.gz IFEONXSMHZRTJB-RHSMWYFYSA-N 2 0 371.485 0.897 20 0 FCADRP CNC(=O)NC(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285465363 213347281 /nfs/dbraw/zinc/34/72/81/213347281.db2.gz NGYWSFZKBVOFGI-UHFFFAOYSA-N 2 0 361.490 0.582 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000930958693 674081892 /nfs/dbraw/zinc/08/18/92/674081892.db2.gz XSPWUHUDPZJGOK-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000284749261 213212448 /nfs/dbraw/zinc/21/24/48/213212448.db2.gz CHKILXSCEUIODS-HNNXBMFYSA-N 2 0 373.501 0.761 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000283991959 213049737 /nfs/dbraw/zinc/04/97/37/213049737.db2.gz OQZSNZHJYGCXHZ-NVXWUHKLSA-N 2 0 355.442 0.779 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000283940927 213039435 /nfs/dbraw/zinc/03/94/35/213039435.db2.gz FYRWLESGXCJQNA-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000283846558 213017600 /nfs/dbraw/zinc/01/76/00/213017600.db2.gz AXADSAKTBXRNLW-MRXNPFEDSA-N 2 0 368.453 0.239 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791780 216031616 /nfs/dbraw/zinc/03/16/16/216031616.db2.gz DAGNRBXKCLVTEF-SJORKVTESA-N 2 0 366.506 0.251 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413239647 237297566 /nfs/dbraw/zinc/29/75/66/237297566.db2.gz JGNGCNJBUWDAMU-HNNXBMFYSA-N 2 0 370.494 0.234 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174226 216087852 /nfs/dbraw/zinc/08/78/52/216087852.db2.gz PJPUNHBNQPYIFM-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312013 212713184 /nfs/dbraw/zinc/71/31/84/212713184.db2.gz ZEMLLRYZVDLHRT-GOEBONIOSA-N 2 0 373.519 0.575 20 0 FCADRP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC)CC1=O ZINC000246479922 209389746 /nfs/dbraw/zinc/38/97/46/209389746.db2.gz RMJQXJFLIUROLR-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237903235 209360603 /nfs/dbraw/zinc/36/06/03/209360603.db2.gz FLXQHWVHEWUFLF-MRXNPFEDSA-N 2 0 358.486 0.621 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)C[NH2+]C[C@@H]3CCCO3)ccc2oc1=O ZINC000236990118 209346052 /nfs/dbraw/zinc/34/60/52/209346052.db2.gz WNHUUQPGRJXMGM-AWEZNQCLSA-N 2 0 362.430 0.863 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236841105 209343864 /nfs/dbraw/zinc/34/38/64/209343864.db2.gz BAXIEBSMYHYHPV-ALOPSCKCSA-N 2 0 350.507 0.920 20 0 FCADRP CC1C[C@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000368368478 216240063 /nfs/dbraw/zinc/24/00/63/216240063.db2.gz AVMCSMPLNRQNQG-ROUUACIJSA-N 2 0 364.534 0.977 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000359870672 223133166 /nfs/dbraw/zinc/13/31/66/223133166.db2.gz MJDIMBKMIXMYDM-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)CC1=O ZINC000368598127 216269377 /nfs/dbraw/zinc/26/93/77/216269377.db2.gz MQCUDTUSXGLMGN-CWIFOLKKSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000368658710 216277485 /nfs/dbraw/zinc/27/74/85/216277485.db2.gz MNCLEIHTUAABOG-ZWKOTPCHSA-N 2 0 352.523 0.506 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192167485 209297447 /nfs/dbraw/zinc/29/74/47/209297447.db2.gz RHIXKJKHRXNNCR-UHFFFAOYSA-N 2 0 355.527 0.234 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368992163 216330465 /nfs/dbraw/zinc/33/04/65/216330465.db2.gz MDGITJPZOZXKGZ-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368980951 216328455 /nfs/dbraw/zinc/32/84/55/216328455.db2.gz NKPNEADFOPDXNC-ROUUACIJSA-N 2 0 368.522 0.728 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369219454 216365638 /nfs/dbraw/zinc/36/56/38/216365638.db2.gz OHKWOXXTIUBXAB-OKZBNKHCSA-N 2 0 366.506 0.603 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395169 216395142 /nfs/dbraw/zinc/39/51/42/216395142.db2.gz LDASNEOEOPXSOX-ZWKOTPCHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000189927300 209263717 /nfs/dbraw/zinc/26/37/17/209263717.db2.gz OVCNHBQWOKXRRH-LMMKCTJWSA-N 2 0 362.518 0.792 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CC1)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188292075 209229321 /nfs/dbraw/zinc/22/93/21/209229321.db2.gz JVWUWSDJDOVTHS-MGPUTAFESA-N 2 0 374.485 0.932 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000187789764 209216235 /nfs/dbraw/zinc/21/62/35/209216235.db2.gz FEXBLRVQAZEWKQ-QGZVFWFLSA-N 2 0 373.501 0.572 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931488092 674117542 /nfs/dbraw/zinc/11/75/42/674117542.db2.gz OCSCSDKOTMPAEO-UHFFFAOYSA-N 2 0 355.479 0.177 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000414914367 245333151 /nfs/dbraw/zinc/33/31/51/245333151.db2.gz KOHYWJBCEKLUFU-KRWDZBQOSA-N 2 0 350.488 0.898 20 0 FCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414942744 245337453 /nfs/dbraw/zinc/33/74/53/245337453.db2.gz MWWIHBLBCAWTGO-QGZVFWFLSA-N 2 0 362.474 0.744 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000415273750 245374309 /nfs/dbraw/zinc/37/43/09/245374309.db2.gz SNRLZTXYFOMHHM-KRWDZBQOSA-N 2 0 373.501 0.712 20 0 FCADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415325374 245385979 /nfs/dbraw/zinc/38/59/79/245385979.db2.gz INUGZPNRONXBRE-MRXNPFEDSA-N 2 0 360.458 0.968 20 0 FCADRP O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCC[NH2+]CC1 ZINC000415331134 245390050 /nfs/dbraw/zinc/39/00/50/245390050.db2.gz ZYKGIEMLHBUTDU-UHFFFAOYSA-N 2 0 362.499 0.996 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415339060 245392953 /nfs/dbraw/zinc/39/29/53/245392953.db2.gz AXKPTNOKXCSJQY-HNNXBMFYSA-N 2 0 359.474 0.193 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000415357568 245397041 /nfs/dbraw/zinc/39/70/41/245397041.db2.gz SGDBWYKRZWRENL-HNNXBMFYSA-N 2 0 362.499 0.776 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237307 217237976 /nfs/dbraw/zinc/23/79/76/217237976.db2.gz NHIBQZQKMZGNTA-HNNXBMFYSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2ccc(C(=O)NCC3([NH+](C)C)CC3)nc2)CC1 ZINC000416310386 245561198 /nfs/dbraw/zinc/56/11/98/245561198.db2.gz ZSRJCTPAMVNLIU-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCCC1 ZINC000416814031 245645288 /nfs/dbraw/zinc/64/52/88/245645288.db2.gz FMFDBOVMURTPCJ-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000417150668 245674893 /nfs/dbraw/zinc/67/48/93/245674893.db2.gz GQCGQRVKRBVJDT-KGLIPLIRSA-N 2 0 365.444 0.854 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417550128 245706770 /nfs/dbraw/zinc/70/67/70/245706770.db2.gz UNPLRQUQRXMRHF-RHSMWYFYSA-N 2 0 361.490 0.778 20 0 FCADRP CCOC(=O)CN(C)C(=O)CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901395 217332160 /nfs/dbraw/zinc/33/21/60/217332160.db2.gz BSKJXZHCFXDMGF-MRXNPFEDSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000376269491 217377030 /nfs/dbraw/zinc/37/70/30/217377030.db2.gz IEUYTHKOXOIZTH-QGZVFWFLSA-N 2 0 367.538 0.424 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418482706 245789390 /nfs/dbraw/zinc/78/93/90/245789390.db2.gz BISVCOXPKBTFNJ-MSOLQXFVSA-N 2 0 364.490 0.405 20 0 FCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418608128 245804275 /nfs/dbraw/zinc/80/42/75/245804275.db2.gz DGVHHRBXTJOCEJ-STQMWFEESA-N 2 0 351.417 0.654 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376313955 217382733 /nfs/dbraw/zinc/38/27/33/217382733.db2.gz LMHNDDCODCAIIT-WZYMTQMTSA-N 2 0 353.511 0.709 20 0 FCADRP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000376434745 217399524 /nfs/dbraw/zinc/39/95/24/217399524.db2.gz JGUCBDZDYNCVLJ-DLBZAZTESA-N 2 0 367.538 0.517 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418657510 245813801 /nfs/dbraw/zinc/81/38/01/245813801.db2.gz HOFFLFTXFCKRHE-OWCLPIDISA-N 2 0 351.495 0.404 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)CC(C)C ZINC000419119597 245993647 /nfs/dbraw/zinc/99/36/47/245993647.db2.gz BLDXMCIILLMPHS-CVEARBPZSA-N 2 0 356.511 0.354 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419128333 246002370 /nfs/dbraw/zinc/00/23/70/246002370.db2.gz AFSZGFHYNUYCBJ-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419157689 246021315 /nfs/dbraw/zinc/02/13/15/246021315.db2.gz VUHASCXPNFWHJV-INIZCTEOSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000419162922 246025426 /nfs/dbraw/zinc/02/54/26/246025426.db2.gz VQEOOQRBVRSDOE-WCXIOVBPSA-N 2 0 350.507 0.727 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419138060 246011911 /nfs/dbraw/zinc/01/19/11/246011911.db2.gz RYKBSYCCMASJQJ-UHFFFAOYSA-N 2 0 352.504 0.754 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419142595 246012844 /nfs/dbraw/zinc/01/28/44/246012844.db2.gz CJAGSLIASCLPTQ-ZWKOTPCHSA-N 2 0 374.485 0.434 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144334 246013811 /nfs/dbraw/zinc/01/38/11/246013811.db2.gz GRXIIPUANJIJBN-CABCVRRESA-N 2 0 364.515 0.945 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419163860 246027387 /nfs/dbraw/zinc/02/73/87/246027387.db2.gz KWJRZIOVKJCPBD-QGZVFWFLSA-N 2 0 362.474 0.072 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000419164627 246027469 /nfs/dbraw/zinc/02/74/69/246027469.db2.gz AECWBEQZDVGNFU-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419194719 246046418 /nfs/dbraw/zinc/04/64/18/246046418.db2.gz TXGPLXAFBFNNPS-GOSISDBHSA-N 2 0 358.486 0.944 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419166623 246030293 /nfs/dbraw/zinc/03/02/93/246030293.db2.gz HQXCFMJPPFKQAE-ZWKOTPCHSA-N 2 0 358.486 0.535 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419171575 246031697 /nfs/dbraw/zinc/03/16/97/246031697.db2.gz PGDUSAGDPUQNFG-ZWKOTPCHSA-N 2 0 358.486 0.617 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419170574 246033160 /nfs/dbraw/zinc/03/31/60/246033160.db2.gz NWIZKTUCAFQYAG-GVDBMIGSSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419170898 246033509 /nfs/dbraw/zinc/03/35/09/246033509.db2.gz OGMZTROLVAXXRI-GHTZIAJQSA-N 2 0 372.513 0.865 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000419183424 246039641 /nfs/dbraw/zinc/03/96/41/246039641.db2.gz MHPMIWMQGXAIKW-HZPDHXFCSA-N 2 0 352.479 0.086 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000419185097 246041106 /nfs/dbraw/zinc/04/11/06/246041106.db2.gz GSFJOOPBWRFXIU-UHFFFAOYSA-N 2 0 362.449 0.904 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C1 ZINC000419212987 246058622 /nfs/dbraw/zinc/05/86/22/246058622.db2.gz KYBRQKUCXKHYIE-MRXNPFEDSA-N 2 0 358.486 0.967 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419214965 246058816 /nfs/dbraw/zinc/05/88/16/246058816.db2.gz NITLZYYVFLOZNH-SJORKVTESA-N 2 0 374.485 0.311 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419216360 246058914 /nfs/dbraw/zinc/05/89/14/246058914.db2.gz PCSHRYMHQUDYFC-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419220663 246060874 /nfs/dbraw/zinc/06/08/74/246060874.db2.gz VGJNSEWMNNEWTI-KRWDZBQOSA-N 2 0 362.474 0.329 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223464 246061030 /nfs/dbraw/zinc/06/10/30/246061030.db2.gz DAMBXHVHIMUISW-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419217339 246061554 /nfs/dbraw/zinc/06/15/54/246061554.db2.gz QOJFMKUYOOKDFG-HUUCEWRRSA-N 2 0 362.474 0.248 20 0 FCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000419219564 246062221 /nfs/dbraw/zinc/06/22/21/246062221.db2.gz UBFHHLNIPYSCST-HNNXBMFYSA-N 2 0 358.486 0.870 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000419219152 246063052 /nfs/dbraw/zinc/06/30/52/246063052.db2.gz SSYGGTWIRSKEIE-WBVHZDCISA-N 2 0 360.458 0.064 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419225188 246063606 /nfs/dbraw/zinc/06/36/06/246063606.db2.gz GRWNGDICVXLCKE-BPQIPLTHSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419225460 246064483 /nfs/dbraw/zinc/06/44/83/246064483.db2.gz HBQNBHJRRBVQDW-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229637 246066804 /nfs/dbraw/zinc/06/68/04/246066804.db2.gz PBMDQZBLCDRWJR-WBVHZDCISA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419197613 246047701 /nfs/dbraw/zinc/04/77/01/246047701.db2.gz XYLWJYNJZJRNSX-ZDUSSCGKSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000419197689 246048911 /nfs/dbraw/zinc/04/89/11/246048911.db2.gz BXJZVVHXTKPBPJ-HUUCEWRRSA-N 2 0 362.474 0.452 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000419201812 246050752 /nfs/dbraw/zinc/05/07/52/246050752.db2.gz GNWHILYZNCMGIJ-HOTGVXAUSA-N 2 0 362.474 0.629 20 0 FCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]CC3)c2)CC1 ZINC000419207404 246054750 /nfs/dbraw/zinc/05/47/50/246054750.db2.gz OSVXUFZSVFMZPO-UHFFFAOYSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234949 246069785 /nfs/dbraw/zinc/06/97/85/246069785.db2.gz YEXFZEFTHKXXMI-JZXOWHBKSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419233883 246071059 /nfs/dbraw/zinc/07/10/59/246071059.db2.gz WVPZNORLGKCKKC-UAGQMJEPSA-N 2 0 350.507 0.871 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419240223 246074279 /nfs/dbraw/zinc/07/42/79/246074279.db2.gz QYSONUHJHDJJMT-ZFWWWQNUSA-N 2 0 354.495 0.596 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000419315238 246095965 /nfs/dbraw/zinc/09/59/65/246095965.db2.gz VLTNMLIPLUGBLR-UHFFFAOYSA-N 2 0 369.416 0.788 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000419338465 246102731 /nfs/dbraw/zinc/10/27/31/246102731.db2.gz CAIAVRUVKNDURJ-GOSISDBHSA-N 2 0 360.502 0.924 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419375435 246122113 /nfs/dbraw/zinc/12/21/13/246122113.db2.gz RMRJIRCKSKNEAJ-BRWVUGGUSA-N 2 0 352.523 0.973 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373043 246122336 /nfs/dbraw/zinc/12/23/36/246122336.db2.gz MAJMHAMATVGDJE-ZWKOTPCHSA-N 2 0 372.513 0.836 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377696 246124289 /nfs/dbraw/zinc/12/42/89/246124289.db2.gz UGOACRBWQGADHO-PBHICJAKSA-N 2 0 358.486 0.459 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000419377752 246125343 /nfs/dbraw/zinc/12/53/43/246125343.db2.gz UOGNDPPBBUWHPD-SFHVURJKSA-N 2 0 372.513 0.836 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381547 246125786 /nfs/dbraw/zinc/12/57/86/246125786.db2.gz YIUKBCPZELHTEA-IRXDYDNUSA-N 2 0 358.486 0.588 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000419386666 246126470 /nfs/dbraw/zinc/12/64/70/246126470.db2.gz BVYLCXDCNGCXNM-CVEARBPZSA-N 2 0 362.499 0.280 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419385204 246126667 /nfs/dbraw/zinc/12/66/67/246126667.db2.gz ACUOAQUTZXENBU-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419387201 246127586 /nfs/dbraw/zinc/12/75/86/246127586.db2.gz CKVBZQLASFTJNJ-GDBMZVCRSA-N 2 0 364.515 0.431 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389430 246130676 /nfs/dbraw/zinc/13/06/76/246130676.db2.gz HOSUERYUTYJNAT-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000419415621 246149690 /nfs/dbraw/zinc/14/96/90/246149690.db2.gz VMBZMYDIUSBFBA-QFBILLFUSA-N 2 0 362.449 0.757 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419417013 246150222 /nfs/dbraw/zinc/15/02/22/246150222.db2.gz HPDNJROOKNSWIJ-JTDSTZFVSA-N 2 0 352.523 0.977 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000419402595 246137674 /nfs/dbraw/zinc/13/76/74/246137674.db2.gz CIAKFBKBVRUWPA-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419404337 246137859 /nfs/dbraw/zinc/13/78/59/246137859.db2.gz FXLZXXKXTFZFEC-CWQOZTLDSA-N 2 0 364.534 0.975 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419422465 246155618 /nfs/dbraw/zinc/15/56/18/246155618.db2.gz QIBWDTXVMTXGBN-QGZVFWFLSA-N 2 0 373.501 0.183 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419423953 246156996 /nfs/dbraw/zinc/15/69/96/246156996.db2.gz NSFVWOFOOJJJII-GOSISDBHSA-N 2 0 374.485 0.046 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419430505 246158030 /nfs/dbraw/zinc/15/80/30/246158030.db2.gz VXPXZAPZYRCJJX-BBWFWOEESA-N 2 0 352.523 0.977 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419419126 246151469 /nfs/dbraw/zinc/15/14/69/246151469.db2.gz LUDMOKHQBWHJGB-QGZVFWFLSA-N 2 0 373.501 0.183 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419503267 246184093 /nfs/dbraw/zinc/18/40/93/246184093.db2.gz CWRBGFVUDHCSGZ-GHTZIAJQSA-N 2 0 370.497 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419510897 246185510 /nfs/dbraw/zinc/18/55/10/246185510.db2.gz WSFJVXWNTYLZNI-NUJGCVRESA-N 2 0 358.486 0.834 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528321 246192787 /nfs/dbraw/zinc/19/27/87/246192787.db2.gz CAMNZOGAIXQJNE-IAGOWNOFSA-N 2 0 362.474 0.290 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525140 246192915 /nfs/dbraw/zinc/19/29/15/246192915.db2.gz CXAWWCJVXFHVJJ-YJBOKZPZSA-N 2 0 358.486 0.834 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419528551 246192946 /nfs/dbraw/zinc/19/29/46/246192946.db2.gz WJNGNIVPFJJXMB-XIRDDKMYSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419477003 246175982 /nfs/dbraw/zinc/17/59/82/246175982.db2.gz HDHBKQGANRGUPH-IXDOHACOSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419475546 246176593 /nfs/dbraw/zinc/17/65/93/246176593.db2.gz FAPAYYIOSXCPCD-IXDOHACOSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000419556945 246201297 /nfs/dbraw/zinc/20/12/97/246201297.db2.gz LMHXKRPFXGGEQZ-RANZSIQMSA-N 2 0 358.486 0.786 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccccc1 ZINC000419652920 246232007 /nfs/dbraw/zinc/23/20/07/246232007.db2.gz QHNGMWJUHWSMMZ-AWEZNQCLSA-N 2 0 350.463 0.012 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419715899 246268692 /nfs/dbraw/zinc/26/86/92/246268692.db2.gz ZZDKUUFOXIHFCX-KYHPRHEASA-N 2 0 358.486 0.974 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419664649 246238202 /nfs/dbraw/zinc/23/82/02/246238202.db2.gz MMVMLYKUQFKZOD-HZPDHXFCSA-N 2 0 359.474 0.800 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419678424 246243362 /nfs/dbraw/zinc/24/33/62/246243362.db2.gz DQUBGSTWMUXRQT-JKSUJKDBSA-N 2 0 366.506 0.381 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419677939 246244076 /nfs/dbraw/zinc/24/40/76/246244076.db2.gz DDURTXMGVGUXPP-MRXNPFEDSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000419680846 246245892 /nfs/dbraw/zinc/24/58/92/246245892.db2.gz HSDRRTCKOLIKKS-INIZCTEOSA-N 2 0 366.506 0.381 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419720070 246269959 /nfs/dbraw/zinc/26/99/59/246269959.db2.gz DMJIAAFVWZALDW-JKSUJKDBSA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000419722170 246269967 /nfs/dbraw/zinc/26/99/67/246269967.db2.gz LLOFWFRJXMSIRV-KRWDZBQOSA-N 2 0 374.485 0.391 20 0 FCADRP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419695997 246254141 /nfs/dbraw/zinc/25/41/41/246254141.db2.gz NTLDLHYXYSAPIC-KRWDZBQOSA-N 2 0 373.501 0.811 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419698702 246257034 /nfs/dbraw/zinc/25/70/34/246257034.db2.gz ZTHIZQKFFODWSY-AWEZNQCLSA-N 2 0 356.536 0.564 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419698697 246257208 /nfs/dbraw/zinc/25/72/08/246257208.db2.gz ZSXWCYBVVVWDED-UHFFFAOYSA-N 2 0 356.536 0.532 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](C[NH3+])C1 ZINC000419717985 246267207 /nfs/dbraw/zinc/26/72/07/246267207.db2.gz ACWSEFNPTYLZRH-OWCLPIDISA-N 2 0 352.479 0.084 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CCCC2)CC1 ZINC000419753289 246282758 /nfs/dbraw/zinc/28/27/58/246282758.db2.gz NRNOWXLAZHFZPH-MRXNPFEDSA-N 2 0 366.506 0.380 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000419758264 246286722 /nfs/dbraw/zinc/28/67/22/246286722.db2.gz JUEODOGHBKHVPR-SJORKVTESA-N 2 0 362.449 0.727 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419757153 246287124 /nfs/dbraw/zinc/28/71/24/246287124.db2.gz IAEBTNIOJDJXJT-SFHVURJKSA-N 2 0 350.438 0.571 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)Cc1ccc(F)cc1 ZINC000419758623 246287376 /nfs/dbraw/zinc/28/73/76/246287376.db2.gz KHELEQMYALJNHG-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419761527 246288739 /nfs/dbraw/zinc/28/87/39/246288739.db2.gz KJKAWXRSXVXVMU-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760815 246289157 /nfs/dbraw/zinc/28/91/57/246289157.db2.gz OHNPWCDROOPMPC-HZPDHXFCSA-N 2 0 350.438 0.760 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000419795934 246297075 /nfs/dbraw/zinc/29/70/75/246297075.db2.gz MDWUVHYHYSJQRE-BSDSXHPESA-N 2 0 358.486 0.991 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419800651 246298837 /nfs/dbraw/zinc/29/88/37/246298837.db2.gz IHRDMEQMEUUMFJ-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419820633 246305262 /nfs/dbraw/zinc/30/52/62/246305262.db2.gz OENHWWXFVDVBPE-QAPCUYQASA-N 2 0 374.485 0.756 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419834003 246311832 /nfs/dbraw/zinc/31/18/32/246311832.db2.gz ZWCXVNMRTLWHRM-SFHVURJKSA-N 2 0 374.485 0.770 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCCC1 ZINC000419840786 246313764 /nfs/dbraw/zinc/31/37/64/246313764.db2.gz ZLUQOIFZKPCVFU-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419840595 246314795 /nfs/dbraw/zinc/31/47/95/246314795.db2.gz DJQVAXWLBGSVOU-GJZGRUSLSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1cccc(F)c1 ZINC000419842653 246316148 /nfs/dbraw/zinc/31/61/48/246316148.db2.gz BXPJYVDWLAGPFZ-INIZCTEOSA-N 2 0 350.438 0.803 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CCN1C ZINC000419851307 246322392 /nfs/dbraw/zinc/32/23/92/246322392.db2.gz NWYAKQYNXIGLRP-KRWDZBQOSA-N 2 0 361.490 0.476 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860229 246329201 /nfs/dbraw/zinc/32/92/01/246329201.db2.gz KRCWEYSHQZYXNF-MSOLQXFVSA-N 2 0 373.501 0.748 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419860886 246331170 /nfs/dbraw/zinc/33/11/70/246331170.db2.gz LISXAXMCVADGLB-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000419866185 246334511 /nfs/dbraw/zinc/33/45/11/246334511.db2.gz GYMOPOVEMCGLKB-GPANFISMSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000419909249 246364263 /nfs/dbraw/zinc/36/42/63/246364263.db2.gz FZNVKPLAMKVHQZ-CZUORRHYSA-N 2 0 350.438 0.660 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000419931387 246376436 /nfs/dbraw/zinc/37/64/36/246376436.db2.gz PDMWYCDNHNJNPV-WMZOPIPTSA-N 2 0 374.485 0.373 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419878140 246346032 /nfs/dbraw/zinc/34/60/32/246346032.db2.gz YNBRHBIJJLFSBF-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419882960 246348334 /nfs/dbraw/zinc/34/83/34/246348334.db2.gz CVIXMOPBNYSMCU-UHFFFAOYSA-N 2 0 360.502 0.879 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419891121 246353663 /nfs/dbraw/zinc/35/36/63/246353663.db2.gz TZRLODYSSGQYHI-CYBMUJFWSA-N 2 0 354.401 0.333 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419893948 246356297 /nfs/dbraw/zinc/35/62/97/246356297.db2.gz MZTPJFBHEOWQSS-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419899887 246360342 /nfs/dbraw/zinc/36/03/42/246360342.db2.gz ZSFRYJOJSKSCEM-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419947909 246382602 /nfs/dbraw/zinc/38/26/02/246382602.db2.gz YCDDIELAFGFARX-HNNXBMFYSA-N 2 0 361.490 0.858 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419948725 246383224 /nfs/dbraw/zinc/38/32/24/246383224.db2.gz KNSNQJJKDZHXTK-INIZCTEOSA-N 2 0 367.538 0.025 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972896 246395808 /nfs/dbraw/zinc/39/58/08/246395808.db2.gz ZYEZGBYMMMKCHP-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419980265 246399346 /nfs/dbraw/zinc/39/93/46/246399346.db2.gz QQIYEHYTLZPGJF-INIZCTEOSA-N 2 0 370.444 0.955 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419980110 246399938 /nfs/dbraw/zinc/39/99/38/246399938.db2.gz RDWQVCGDXOYZCG-QGZVFWFLSA-N 2 0 368.522 0.579 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419938116 246378668 /nfs/dbraw/zinc/37/86/68/246378668.db2.gz PDVFILBAZFIHCW-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420043630 246431462 /nfs/dbraw/zinc/43/14/62/246431462.db2.gz SBKYOTANZRKLAD-GJZGRUSLSA-N 2 0 354.495 0.550 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000420064802 246445976 /nfs/dbraw/zinc/44/59/76/246445976.db2.gz WOIGORCWRNKQPA-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000420088448 246460885 /nfs/dbraw/zinc/46/08/85/246460885.db2.gz CENPNKQNPCGMLF-LPHOPBHVSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423421522 247023832 /nfs/dbraw/zinc/02/38/32/247023832.db2.gz CJVBKSPQNPCLOW-VIBAHUMZSA-N 2 0 366.531 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000423421378 247024128 /nfs/dbraw/zinc/02/41/28/247024128.db2.gz BRULWCRRUWOZSH-IYBDPMFKSA-N 2 0 366.506 0.299 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423231637 246983033 /nfs/dbraw/zinc/98/30/33/246983033.db2.gz AVUNNURLDZGIAC-QGZVFWFLSA-N 2 0 362.474 0.283 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423301900 246998359 /nfs/dbraw/zinc/99/83/59/246998359.db2.gz INJGYABDUZKSPY-YZUHTNEWSA-N 2 0 350.507 0.905 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000423306799 247001046 /nfs/dbraw/zinc/00/10/46/247001046.db2.gz UWRSKNNEAQQIJE-JCYILVPMSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000423421375 247023605 /nfs/dbraw/zinc/02/36/05/247023605.db2.gz BRULWCRRUWOZSH-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000423314997 247004136 /nfs/dbraw/zinc/00/41/36/247004136.db2.gz XDEGWZZTFMOLPT-INIZCTEOSA-N 2 0 366.506 0.145 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423595300 247067648 /nfs/dbraw/zinc/06/76/48/247067648.db2.gz PSHVLWSGLGXSCD-HNNXBMFYSA-N 2 0 350.463 0.770 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000423434592 247025590 /nfs/dbraw/zinc/02/55/90/247025590.db2.gz DAGTWINLJBHSOU-BZUAXINKSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470795 247032853 /nfs/dbraw/zinc/03/28/53/247032853.db2.gz GUGOIXNGDZLXAO-LULLPPNCSA-N 2 0 370.497 0.773 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000423481157 247034987 /nfs/dbraw/zinc/03/49/87/247034987.db2.gz PVRSIZWVHITLDB-RYQLBKOJSA-N 2 0 356.470 0.397 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423688434 247110401 /nfs/dbraw/zinc/11/04/01/247110401.db2.gz WUYUNNVHDONQPN-RDJZCZTQSA-N 2 0 367.538 0.199 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000423690905 247111403 /nfs/dbraw/zinc/11/14/03/247111403.db2.gz ZFWYQHNZOAIXOV-HOCLYGCPSA-N 2 0 354.495 0.284 20 0 FCADRP COc1cccc([C@@H](C)N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000423603238 247070946 /nfs/dbraw/zinc/07/09/46/247070946.db2.gz DWSQOZFCINTSBX-MRXNPFEDSA-N 2 0 374.485 0.722 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000423605055 247072959 /nfs/dbraw/zinc/07/29/59/247072959.db2.gz VNHOYJBYIJVXKO-YESZJQIVSA-N 2 0 366.506 0.001 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000423621952 247078867 /nfs/dbraw/zinc/07/88/67/247078867.db2.gz LOBVUBDORZJXIQ-HOCLYGCPSA-N 2 0 352.479 0.038 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423640080 247088494 /nfs/dbraw/zinc/08/84/94/247088494.db2.gz VIVPGNFLMVHVHZ-LJQANCHMSA-N 2 0 362.474 0.772 20 0 FCADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423645529 247089797 /nfs/dbraw/zinc/08/97/97/247089797.db2.gz KUUDUMIVVHFIRE-FHWLQOOXSA-N 2 0 370.497 0.917 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)C1 ZINC000423643668 247089966 /nfs/dbraw/zinc/08/99/66/247089966.db2.gz CWKWWSYUHBWCPH-QZTJIDSGSA-N 2 0 358.486 0.440 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000423658200 247097512 /nfs/dbraw/zinc/09/75/12/247097512.db2.gz XIXTXXKVOIJTGW-CABCVRRESA-N 2 0 354.495 0.155 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000423660071 247099066 /nfs/dbraw/zinc/09/90/66/247099066.db2.gz BZNDBZAPZOFDCD-SFHVURJKSA-N 2 0 356.470 0.837 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423664179 247102146 /nfs/dbraw/zinc/10/21/46/247102146.db2.gz OUZRFHGIGREFQR-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000423717627 247121936 /nfs/dbraw/zinc/12/19/36/247121936.db2.gz AJSDMRAWOVSHSI-OAGGEKHMSA-N 2 0 359.536 0.861 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000423717637 247122055 /nfs/dbraw/zinc/12/20/55/247122055.db2.gz AJSDMRAWOVSHSI-PMPSAXMXSA-N 2 0 359.536 0.861 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423730590 247129871 /nfs/dbraw/zinc/12/98/71/247129871.db2.gz LKEQVLKCIVRUAP-DOTOQJQBSA-N 2 0 366.506 0.143 20 0 FCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423740440 247135003 /nfs/dbraw/zinc/13/50/03/247135003.db2.gz XDZFDBLTVNJWFG-AEFFLSMTSA-N 2 0 371.485 0.577 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424151660 247174405 /nfs/dbraw/zinc/17/44/05/247174405.db2.gz HKTAHJQKWDGFAP-INIZCTEOSA-N 2 0 363.510 0.206 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CCN1C ZINC000424490989 247237567 /nfs/dbraw/zinc/23/75/67/247237567.db2.gz BKCNHKHZAVFUAI-HOTGVXAUSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424518712 247249729 /nfs/dbraw/zinc/24/97/29/247249729.db2.gz IKSGXPGZTLGBHG-RCCFBDPRSA-N 2 0 356.470 0.588 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000424444565 247217213 /nfs/dbraw/zinc/21/72/13/247217213.db2.gz CPWIOPZDCIZOGW-HNNXBMFYSA-N 2 0 361.490 0.392 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000424457977 247224065 /nfs/dbraw/zinc/22/40/65/247224065.db2.gz SFGCWXZWBZOEGI-OAHLLOKOSA-N 2 0 360.458 0.573 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000424455141 247224911 /nfs/dbraw/zinc/22/49/11/247224911.db2.gz MVOJYICEZBYWNF-UHFFFAOYSA-N 2 0 362.474 0.697 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543773 247257755 /nfs/dbraw/zinc/25/77/55/247257755.db2.gz JTAJEJPVFSEZPA-RBUKOAKNSA-N 2 0 368.481 0.755 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1)CC[NH2+]CC2 ZINC000424557973 247264079 /nfs/dbraw/zinc/26/40/79/247264079.db2.gz WLMJFRIADJAKID-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425403407 247337444 /nfs/dbraw/zinc/33/74/44/247337444.db2.gz OCNLGXIINVYNQU-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322410 247323866 /nfs/dbraw/zinc/32/38/66/247323866.db2.gz TUYQDAOELWOLFH-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CS(=O)(=O)Nc1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433127751 247844896 /nfs/dbraw/zinc/84/48/96/247844896.db2.gz JJRVNLZRITXYFU-UHFFFAOYSA-N 2 0 368.503 0.878 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000436062491 248031098 /nfs/dbraw/zinc/03/10/98/248031098.db2.gz RJGDEWVNNWZBAB-OAHLLOKOSA-N 2 0 372.469 0.992 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000439164494 248112253 /nfs/dbraw/zinc/11/22/53/248112253.db2.gz BTHAORWYFBNLIN-RDJZCZTQSA-N 2 0 368.522 0.483 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253162 248245127 /nfs/dbraw/zinc/24/51/27/248245127.db2.gz AKXJDFIVTYXRNM-KZNAEPCWSA-N 2 0 352.523 0.770 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763214 248296017 /nfs/dbraw/zinc/29/60/17/248296017.db2.gz IHDFQZCUEQKQQQ-DLBZAZTESA-N 3 0 352.523 0.807 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000441991942 248268748 /nfs/dbraw/zinc/26/87/48/248268748.db2.gz NIFMPKXWCNINNU-HNNXBMFYSA-N 2 0 360.458 0.918 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000271125728 211339960 /nfs/dbraw/zinc/33/99/60/211339960.db2.gz KPTPVCINACBRJH-SFHVURJKSA-N 2 0 364.490 0.733 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000271019223 211317837 /nfs/dbraw/zinc/31/78/37/211317837.db2.gz BFBQMGBCZNCAFD-QGZVFWFLSA-N 2 0 374.489 0.249 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000270973652 211310186 /nfs/dbraw/zinc/31/01/86/211310186.db2.gz KENYMQUONPNKIA-HUUCEWRRSA-N 2 0 362.474 0.857 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000270923148 211300317 /nfs/dbraw/zinc/30/03/17/211300317.db2.gz DDXSJIOTQFDLDU-IBGZPJMESA-N 2 0 374.529 0.889 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000270817305 211275537 /nfs/dbraw/zinc/27/55/37/211275537.db2.gz NJPFBIQDJWBSSG-HUUCEWRRSA-N 2 0 362.474 0.761 20 0 FCADRP COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000270509742 211212758 /nfs/dbraw/zinc/21/27/58/211212758.db2.gz QSMLXMOQMLMYSI-DLBZAZTESA-N 2 0 372.425 0.511 20 0 FCADRP C[NH+](Cc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1)CC(C)(CO)CO ZINC000270357327 211190040 /nfs/dbraw/zinc/19/00/40/211190040.db2.gz VUMUTDAFCIBESN-UHFFFAOYSA-N 2 0 368.518 0.532 20 0 FCADRP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007383 250021132 /nfs/dbraw/zinc/02/11/32/250021132.db2.gz BJGPXUFQWVZRQI-GDBMZVCRSA-N 2 0 363.458 0.914 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000470081847 250026561 /nfs/dbraw/zinc/02/65/61/250026561.db2.gz NRBMXCBPOLOOGN-UHFFFAOYSA-N 2 0 354.539 0.973 20 0 FCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594683 250163702 /nfs/dbraw/zinc/16/37/02/250163702.db2.gz CSSSSUFKTHDXTB-CRAIPNDOSA-N 2 0 369.506 0.875 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000480887374 250293054 /nfs/dbraw/zinc/29/30/54/250293054.db2.gz WDUYXZWMOBOEAC-OAHLLOKOSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000481635568 250347526 /nfs/dbraw/zinc/34/75/26/250347526.db2.gz UQRZDDMXURPIMI-CWRNSKLLSA-N 2 0 353.511 0.839 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539420 250339994 /nfs/dbraw/zinc/33/99/94/250339994.db2.gz JFARQSHCAXNGIQ-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000484261746 250501732 /nfs/dbraw/zinc/50/17/32/250501732.db2.gz IEHRXRZIKOPXNK-DOTOQJQBSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1=O ZINC000073399886 208046844 /nfs/dbraw/zinc/04/68/44/208046844.db2.gz MQZNXBDEFNXVOU-KGLIPLIRSA-N 2 0 352.504 0.877 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000077761694 208075394 /nfs/dbraw/zinc/07/53/94/208075394.db2.gz IYUDWOZUORXICY-UHFFFAOYSA-N 2 0 361.490 0.833 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000105319003 208198838 /nfs/dbraw/zinc/19/88/38/208198838.db2.gz OQMHGXROJLBBME-LZLYRXPVSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000116792664 208335245 /nfs/dbraw/zinc/33/52/45/208335245.db2.gz JEINFWYHDUETSA-UHFFFAOYSA-N 2 0 358.486 0.789 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000118971288 208353177 /nfs/dbraw/zinc/35/31/77/208353177.db2.gz BYCZTXLRTRZZOO-OAHLLOKOSA-N 2 0 362.474 0.942 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000118955161 208352355 /nfs/dbraw/zinc/35/23/55/208352355.db2.gz AGRYJENJUROIPP-UHFFFAOYSA-N 2 0 350.463 0.942 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000120363316 208382520 /nfs/dbraw/zinc/38/25/20/208382520.db2.gz XMGKJZZCUPAXEF-UHFFFAOYSA-N 2 0 360.458 0.916 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000119932974 208370676 /nfs/dbraw/zinc/37/06/76/208370676.db2.gz LSWUIWHPEBYPJI-HXUWFJFHSA-N 2 0 374.529 0.549 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000266627634 210371640 /nfs/dbraw/zinc/37/16/40/210371640.db2.gz JLZMMGLKGLCBDR-KRWDZBQOSA-N 2 0 362.474 0.566 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000266491489 210345807 /nfs/dbraw/zinc/34/58/07/210345807.db2.gz JKIBKZVFBQLIHY-UHFFFAOYSA-N 2 0 365.478 0.890 20 0 FCADRP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176410090 209001514 /nfs/dbraw/zinc/00/15/14/209001514.db2.gz PYKVKSXITLLEKH-KRWDZBQOSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@@](O)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320885 209047748 /nfs/dbraw/zinc/04/77/48/209047748.db2.gz XRZLEOJFRNMVDO-QFBILLFUSA-N 2 0 353.507 0.840 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+](C)C1 ZINC000413489057 533478171 /nfs/dbraw/zinc/47/81/71/533478171.db2.gz QXWBFZHCRNBGJW-CVEARBPZSA-N 2 0 370.494 0.234 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412320032 533493385 /nfs/dbraw/zinc/49/33/85/533493385.db2.gz VEDMSMKRADMUDZ-ZACQAIPSSA-N 2 0 368.522 0.497 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000173921759 229210861 /nfs/dbraw/zinc/21/08/61/229210861.db2.gz KAYJPTYMTGGTGG-HNNXBMFYSA-N 2 0 352.483 0.803 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410718907 230211612 /nfs/dbraw/zinc/21/16/12/230211612.db2.gz ZYQMORSEZWVVEQ-MSOLQXFVSA-N 2 0 360.502 0.936 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410730458 230220448 /nfs/dbraw/zinc/22/04/48/230220448.db2.gz BTNJRHWALGRQBN-DOTOQJQBSA-N 2 0 366.506 0.251 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963162 230329825 /nfs/dbraw/zinc/32/98/25/230329825.db2.gz MKACTFPDJXRYTB-WDSOQIARSA-N 2 0 372.513 0.934 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000932684861 674211867 /nfs/dbraw/zinc/21/18/67/674211867.db2.gz OCBIFPUBMDDECH-UHFFFAOYSA-N 2 0 370.519 0.831 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)cn2)CC1 ZINC000278961174 488907471 /nfs/dbraw/zinc/90/74/71/488907471.db2.gz IBQBXZDNBRHKJX-HNNXBMFYSA-N 2 0 369.473 0.563 20 0 FCADRP CC1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000562817253 491191719 /nfs/dbraw/zinc/19/17/19/491191719.db2.gz VPQGXMLZWOKLSK-UHFFFAOYSA-N 2 0 351.495 0.326 20 0 FCADRP CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000066916821 488340394 /nfs/dbraw/zinc/34/03/94/488340394.db2.gz UNYGIPLHLSLTFZ-HNNXBMFYSA-N 2 0 357.524 0.940 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000562823161 491193257 /nfs/dbraw/zinc/19/32/57/491193257.db2.gz TZJMWZNQQOXUCD-IJEWVQPXSA-N 2 0 364.877 0.737 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000073639798 488385572 /nfs/dbraw/zinc/38/55/72/488385572.db2.gz VYMAVKGNIBNXEB-UHFFFAOYSA-N 2 0 374.533 0.347 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CCOC(C)(C)C1 ZINC000182592292 488388584 /nfs/dbraw/zinc/38/85/84/488388584.db2.gz KOJWATXCCUOHFV-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP O=C1CNC(=O)N1CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182966029 488390233 /nfs/dbraw/zinc/39/02/33/488390233.db2.gz VOYYNIABLWYOMV-UHFFFAOYSA-N 2 0 352.479 0.753 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000074345135 488391068 /nfs/dbraw/zinc/39/10/68/488391068.db2.gz DRQZALAAITYSKJ-INIZCTEOSA-N 2 0 353.511 0.749 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345554 488391172 /nfs/dbraw/zinc/39/11/72/488391172.db2.gz MZKWWAHHOACLER-HNNXBMFYSA-N 2 0 353.511 0.746 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562831764 491194796 /nfs/dbraw/zinc/19/47/96/491194796.db2.gz RSTPTNQGNPAJLM-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000184417540 488396288 /nfs/dbraw/zinc/39/62/88/488396288.db2.gz MTOVNQGVPMOARM-UHFFFAOYSA-N 2 0 365.526 0.982 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185819459 488403140 /nfs/dbraw/zinc/40/31/40/488403140.db2.gz LENKHAIDIDSOIY-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000569831456 491196174 /nfs/dbraw/zinc/19/61/74/491196174.db2.gz HANWNORKZZLFGL-SFHVURJKSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000186913981 488408502 /nfs/dbraw/zinc/40/85/02/488408502.db2.gz GARWKDBLEWNWMW-HNNXBMFYSA-N 2 0 364.490 0.939 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077836785 488418752 /nfs/dbraw/zinc/41/87/52/488418752.db2.gz RPSMVXILKVSHGB-KRWDZBQOSA-N 3 0 369.554 0.622 20 0 FCADRP OCC[NH+](CCOCC[N@@H+](CCO)Cc1cccnc1)Cc1cccnc1 ZINC000268653164 488439018 /nfs/dbraw/zinc/43/90/18/488439018.db2.gz KGBFJUSAYZRHBE-UHFFFAOYSA-N 2 0 374.485 0.782 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236650621 488453074 /nfs/dbraw/zinc/45/30/74/488453074.db2.gz WZWLYRFBOTUZGC-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc2)CC1 ZINC000236995232 488453810 /nfs/dbraw/zinc/45/38/10/488453810.db2.gz KMIVHEQVVJNZAF-UHFFFAOYSA-N 2 0 359.518 0.854 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000236840952 488453876 /nfs/dbraw/zinc/45/38/76/488453876.db2.gz APWSQDPVIARUCA-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000238053330 488458407 /nfs/dbraw/zinc/45/84/07/488458407.db2.gz VDFXYAFYKPDOOB-KRWDZBQOSA-N 2 0 360.458 0.117 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)CC1=O ZINC000246332040 488471496 /nfs/dbraw/zinc/47/14/96/488471496.db2.gz BAOFIOUZKADXIS-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000103313675 488501015 /nfs/dbraw/zinc/50/10/15/488501015.db2.gz NDFDNZGTXKFMOU-UHFFFAOYSA-N 2 0 351.495 0.420 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000103320857 488501210 /nfs/dbraw/zinc/50/12/10/488501210.db2.gz DCKWUVSCIVBINI-UHFFFAOYSA-N 2 0 365.522 0.668 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000248969396 488504723 /nfs/dbraw/zinc/50/47/23/488504723.db2.gz OVCNHBQWOKXRRH-JENIJYKNSA-N 2 0 362.518 0.792 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105223181 488508228 /nfs/dbraw/zinc/50/82/28/488508228.db2.gz MGCLHJUCZBEZOG-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP CCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000107328647 488517307 /nfs/dbraw/zinc/51/73/07/488517307.db2.gz KYVFOCKOLURZMD-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108570904 488520281 /nfs/dbraw/zinc/52/02/81/488520281.db2.gz OLCTZJJBZCHXQR-IAGOWNOFSA-N 2 0 365.522 0.713 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000261642060 488528868 /nfs/dbraw/zinc/52/88/68/488528868.db2.gz IMZYZSHJQRNNPP-CQSZACIVSA-N 2 0 350.488 0.420 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261671604 488530079 /nfs/dbraw/zinc/53/00/79/488530079.db2.gz GGOUYXCNVOGOMX-LJQANCHMSA-N 2 0 360.502 0.804 20 0 FCADRP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261843560 488537931 /nfs/dbraw/zinc/53/79/31/488537931.db2.gz LSXATZGWJMAZKO-IKGGRYGDSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378451 488539768 /nfs/dbraw/zinc/53/97/68/488539768.db2.gz XFJMXOUJZOXRCP-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@]([NH3+])(C(=O)NCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000261956171 488543593 /nfs/dbraw/zinc/54/35/93/488543593.db2.gz IVAVZCITVSQEAS-OAHLLOKOSA-N 2 0 355.280 0.644 20 0 FCADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000262020225 488546477 /nfs/dbraw/zinc/54/64/77/488546477.db2.gz WASKEHZLXIEQGR-OAHLLOKOSA-N 2 0 365.478 0.350 20 0 FCADRP Cc1cc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nc(C(C)C)n1 ZINC000262216582 488557613 /nfs/dbraw/zinc/55/76/13/488557613.db2.gz UEBDRRJDVJZPFY-UHFFFAOYSA-N 2 0 360.506 0.852 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000272041765 488560010 /nfs/dbraw/zinc/56/00/10/488560010.db2.gz DPFMOYLFDKCGJH-UHFFFAOYSA-N 2 0 358.490 0.895 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000262352969 488565384 /nfs/dbraw/zinc/56/53/84/488565384.db2.gz JJXYOQDATQBJLV-HNNXBMFYSA-N 2 0 359.536 0.780 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000122166918 488576052 /nfs/dbraw/zinc/57/60/52/488576052.db2.gz MTNXJYZDRVQMMW-IRXDYDNUSA-N 2 0 369.554 0.811 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000569967848 491207065 /nfs/dbraw/zinc/20/70/65/491207065.db2.gz XWXXLOBYALPNBV-CRAIPNDOSA-N 2 0 358.486 0.980 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000262598834 488579994 /nfs/dbraw/zinc/57/99/94/488579994.db2.gz WNYZKFKZTYEFNH-YYIAUSFCSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccn1 ZINC000272656111 488595544 /nfs/dbraw/zinc/59/55/44/488595544.db2.gz GTOIHZWEOHEDKG-KRWDZBQOSA-N 2 0 364.490 0.989 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262827969 488595865 /nfs/dbraw/zinc/59/58/65/488595865.db2.gz HNPKZTBPDVITTG-QGZVFWFLSA-N 2 0 362.474 0.492 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)nc2)CC1 ZINC000563060852 491211395 /nfs/dbraw/zinc/21/13/95/491211395.db2.gz KTFIWUCSUXBVDZ-OAHLLOKOSA-N 2 0 360.462 0.030 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2nccc(C)n2n1 ZINC000125558797 488602498 /nfs/dbraw/zinc/60/24/98/488602498.db2.gz VKWKIEFPQUTGJH-OAHLLOKOSA-N 2 0 359.478 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000263829961 488629682 /nfs/dbraw/zinc/62/96/82/488629682.db2.gz UBZRWIDQYAMXTM-ZDUSSCGKSA-N 2 0 372.491 0.415 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000129420072 488630866 /nfs/dbraw/zinc/63/08/66/488630866.db2.gz HIZILNLFXNAOSP-KRWDZBQOSA-N 2 0 360.506 0.927 20 0 FCADRP Cn1ccnc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264114681 488648550 /nfs/dbraw/zinc/64/85/50/488648550.db2.gz GTZGFCKAIRRDIJ-UHFFFAOYSA-N 2 0 357.462 0.827 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000134144538 488665142 /nfs/dbraw/zinc/66/51/42/488665142.db2.gz FAQITUCFDDSOQC-CABCVRRESA-N 2 0 364.494 0.620 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000563113945 491216952 /nfs/dbraw/zinc/21/69/52/491216952.db2.gz XHJLLQFUISXFTQ-HNKHHVNMSA-N 2 0 351.495 0.353 20 0 FCADRP C[NH+](C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274272649 488695045 /nfs/dbraw/zinc/69/50/45/488695045.db2.gz MGZOUTYGOUJJAK-RMKNXTFCSA-N 2 0 354.476 0.583 20 0 FCADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000151845346 488710799 /nfs/dbraw/zinc/71/07/99/488710799.db2.gz QJBOWERMXMPBEC-CQSZACIVSA-N 2 0 355.504 0.950 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000153574872 488732691 /nfs/dbraw/zinc/73/26/91/488732691.db2.gz WCVIWVORUYRCKT-RDJZCZTQSA-N 2 0 354.495 0.459 20 0 FCADRP CN(C(=O)CSCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153634501 488733756 /nfs/dbraw/zinc/73/37/56/488733756.db2.gz LVSIHGCKZUBXLW-IYBDPMFKSA-N 2 0 370.563 0.825 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000167215766 488812269 /nfs/dbraw/zinc/81/22/69/488812269.db2.gz LQEUHAUVDJGJJP-ROUUACIJSA-N 2 0 358.486 0.932 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168098084 488812563 /nfs/dbraw/zinc/81/25/63/488812563.db2.gz DFQNYYFEWNXYNU-OALUTQOASA-N 2 0 361.486 0.927 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000169212909 488812797 /nfs/dbraw/zinc/81/27/97/488812797.db2.gz YUTLKDLAIVPCPD-IRXDYDNUSA-N 2 0 360.458 0.780 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000570189002 491223302 /nfs/dbraw/zinc/22/33/02/491223302.db2.gz VZWCQQOZUXRUSJ-GOEBONIOSA-N 2 0 362.474 0.246 20 0 FCADRP CCn1ccnc1CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157616 491223419 /nfs/dbraw/zinc/22/34/19/491223419.db2.gz JEJDKKOFVLQVNH-INIZCTEOSA-N 2 0 361.490 0.752 20 0 FCADRP Cc1nccn1CCC[N@@H+](C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178531000 488860464 /nfs/dbraw/zinc/86/04/64/488860464.db2.gz IKHDRXGDIQMFJY-UHFFFAOYSA-N 2 0 351.495 0.740 20 0 FCADRP CN(C)C(=O)CC1CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000182187442 488864085 /nfs/dbraw/zinc/86/40/85/488864085.db2.gz WMIUTJGXSWVFIB-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1C[C@H](C)O ZINC000364738225 488994948 /nfs/dbraw/zinc/99/49/48/488994948.db2.gz UMMJCKHLNIBOCG-IPXJXJKCSA-N 2 0 353.507 0.823 20 0 FCADRP COc1cc(CN2CC[NH+](CCOCC[NH3+])CC2)cc(OC)c1OC ZINC000563215583 491227667 /nfs/dbraw/zinc/22/76/67/491227667.db2.gz RWLSIYTZGJSAQV-UHFFFAOYSA-N 2 0 353.463 0.805 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000570293379 491230799 /nfs/dbraw/zinc/23/07/99/491230799.db2.gz OUNDFHFETALXOT-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000289075116 489039992 /nfs/dbraw/zinc/03/99/92/489039992.db2.gz OBWXLJVAHHQMNW-FSDCSDTHSA-N 2 0 359.474 0.892 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000570294904 491231792 /nfs/dbraw/zinc/23/17/92/491231792.db2.gz XHUKAWUNKXHERU-YDHLFZDLSA-N 2 0 350.488 0.725 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000289599291 489080767 /nfs/dbraw/zinc/08/07/67/489080767.db2.gz WMPOTCGDJTZDDD-UHFFFAOYSA-N 2 0 360.502 0.960 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000330311769 489090367 /nfs/dbraw/zinc/09/03/67/489090367.db2.gz VZOMTNMLGNGIFG-QWHCGFSZSA-N 2 0 360.462 0.750 20 0 FCADRP O=C(C[C@H]1CCCC(=O)N1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290051435 489110786 /nfs/dbraw/zinc/11/07/86/489110786.db2.gz ZXQBHQWNMVAIPC-MRXNPFEDSA-N 2 0 359.474 0.769 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000290744596 489162015 /nfs/dbraw/zinc/16/20/15/489162015.db2.gz XVPJNFNIHZIDCF-MRXNPFEDSA-N 2 0 364.490 0.997 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331062761 489170604 /nfs/dbraw/zinc/17/06/04/489170604.db2.gz VIGHZJCZMYGFSP-HNNXBMFYSA-N 2 0 354.520 0.662 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366449884 489183085 /nfs/dbraw/zinc/18/30/85/489183085.db2.gz HOCBIKXFDZRFDC-DLBZAZTESA-N 2 0 354.495 0.602 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331379899 489203751 /nfs/dbraw/zinc/20/37/51/489203751.db2.gz GECSJXAQINVJIS-QEOTZNIISA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000331396241 489205878 /nfs/dbraw/zinc/20/58/78/489205878.db2.gz FRSUOWJDZDLHLX-OAHLLOKOSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000331404168 489207181 /nfs/dbraw/zinc/20/71/81/489207181.db2.gz PVIHYPOQNCYIMY-TWMKSMIVSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000331449695 489213370 /nfs/dbraw/zinc/21/33/70/489213370.db2.gz YZFPJJBYEFCKHJ-JYJNAYRXSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690144 489224758 /nfs/dbraw/zinc/22/47/58/489224758.db2.gz FERKQZXRVYQHEN-YOEHRIQHSA-N 2 0 357.458 0.701 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000332768452 489227603 /nfs/dbraw/zinc/22/76/03/489227603.db2.gz JJALPJVLURXPOE-KFWWJZLASA-N 2 0 354.520 0.235 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000332786628 489230574 /nfs/dbraw/zinc/23/05/74/489230574.db2.gz HCLFCTXBZNLYEL-DOTOQJQBSA-N 2 0 357.520 0.279 20 0 FCADRP CCn1cc(CN2CCCN(C(=O)[C@H]([NH2+]C)c3cnn(C)c3)CC2)cn1 ZINC000570447926 491241085 /nfs/dbraw/zinc/24/10/85/491241085.db2.gz DIJVAOFZUCYAMI-QGZVFWFLSA-N 2 0 359.478 0.632 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1C ZINC000332871729 489241633 /nfs/dbraw/zinc/24/16/33/489241633.db2.gz RWSPTQJYOUCURD-CWLKWCNXSA-N 2 0 368.522 0.461 20 0 FCADRP CN1CCO[C@H]2CN(C(=O)NCC3(N4CCOCC4)CCCCC3)C[C@H]21 ZINC000332948401 489249610 /nfs/dbraw/zinc/24/96/10/489249610.db2.gz YKVJRPAFTIOCIJ-SJORKVTESA-N 2 0 366.506 0.746 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC000297862563 489253510 /nfs/dbraw/zinc/25/35/10/489253510.db2.gz NDVZOJRHJRJTOA-SJORKVTESA-N 2 0 371.485 0.673 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283407563 489255207 /nfs/dbraw/zinc/25/52/07/489255207.db2.gz KMUUGSUWEZGMFX-QZTJIDSGSA-N 2 0 370.497 0.978 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)NCCN3CCOC(C)(C)C3)n2)CC1 ZINC000369679550 489262985 /nfs/dbraw/zinc/26/29/85/489262985.db2.gz DBJKGJTZVPSPED-UHFFFAOYSA-N 2 0 364.494 1.382 20 0 FCADRP COCC[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369682394 489263151 /nfs/dbraw/zinc/26/31/51/489263151.db2.gz SCUQVXILXJBCOK-UHFFFAOYSA-N 2 0 364.494 1.382 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000283640783 489285476 /nfs/dbraw/zinc/28/54/76/489285476.db2.gz YMOROARKFCWZGP-YOEHRIQHSA-N 2 0 364.490 0.871 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000570520017 491247069 /nfs/dbraw/zinc/24/70/69/491247069.db2.gz QCQVELBMJNDIGJ-HNNXBMFYSA-N 2 0 354.524 0.975 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000285878625 489329800 /nfs/dbraw/zinc/32/98/00/489329800.db2.gz BWOVXGHFIAOEMZ-KRWDZBQOSA-N 2 0 352.454 0.815 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000286220083 489370011 /nfs/dbraw/zinc/37/00/11/489370011.db2.gz YUAHNMRKPIDEHA-INIZCTEOSA-N 2 0 364.490 0.318 20 0 FCADRP CC(C)([NH3+])c1nocc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000570582033 491251380 /nfs/dbraw/zinc/25/13/80/491251380.db2.gz WPTPQHJVUJWAPW-UHFFFAOYSA-N 2 0 367.431 0.358 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)CC1 ZINC000370692471 489390447 /nfs/dbraw/zinc/39/04/47/489390447.db2.gz SKAQYWRVNNPQFB-UHFFFAOYSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000362672847 489391752 /nfs/dbraw/zinc/39/17/52/489391752.db2.gz KVRUPUORSAQJDL-ZWKOTPCHSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896045 489403806 /nfs/dbraw/zinc/40/38/06/489403806.db2.gz GTSVCESKVJSVKE-KURKYZTESA-N 2 0 367.538 0.111 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000570616933 491253406 /nfs/dbraw/zinc/25/34/06/491253406.db2.gz ZDLWKCHOTAHATJ-QGZVFWFLSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000299179734 489414055 /nfs/dbraw/zinc/41/40/55/489414055.db2.gz ULOKDWREOVJOHW-HNNXBMFYSA-N 2 0 361.490 0.439 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000563549579 491254365 /nfs/dbraw/zinc/25/43/65/491254365.db2.gz ZYZAUDPNIAEMDY-OWCLPIDISA-N 2 0 351.495 0.450 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183138 489435036 /nfs/dbraw/zinc/43/50/36/489435036.db2.gz OHRZHFBACJNJLA-ROUUACIJSA-N 2 0 366.506 0.603 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021151 489439027 /nfs/dbraw/zinc/43/90/27/489439027.db2.gz XQHUVNWAPVDDRL-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021574 489439259 /nfs/dbraw/zinc/43/92/59/489439259.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 2 0 353.511 0.175 20 0 FCADRP CCN1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000299465360 489444855 /nfs/dbraw/zinc/44/48/55/489444855.db2.gz DLAAQFRCCGMKIV-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000299463794 489444887 /nfs/dbraw/zinc/44/48/87/489444887.db2.gz CSUDDFKDCPPNIP-UHFFFAOYSA-N 2 0 372.429 0.645 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)n1C ZINC000287062557 489456838 /nfs/dbraw/zinc/45/68/38/489456838.db2.gz TZUIEVYWRLCWAC-CYBMUJFWSA-N 2 0 359.434 0.579 20 0 FCADRP COCCOCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299577807 489457988 /nfs/dbraw/zinc/45/79/88/489457988.db2.gz QRBABNLKVFEVJL-UHFFFAOYSA-N 2 0 350.463 0.763 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1C ZINC000287150737 489465278 /nfs/dbraw/zinc/46/52/78/489465278.db2.gz YLMHPUCAYVPZQJ-UKRRQHHQSA-N 2 0 362.478 0.045 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000371240120 489469918 /nfs/dbraw/zinc/46/99/18/489469918.db2.gz BJENCJZYIUETRD-FQEVSTJZSA-N 2 0 371.529 0.440 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000563581498 491256043 /nfs/dbraw/zinc/25/60/43/491256043.db2.gz QAVWOXDZTQNYFA-IBGZPJMESA-N 2 0 371.529 0.775 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558157 489488158 /nfs/dbraw/zinc/48/81/58/489488158.db2.gz PIELFGUUAUCHCW-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596246 491256850 /nfs/dbraw/zinc/25/68/50/491256850.db2.gz MOKXNSXQMZLHOT-HZPDHXFCSA-N 2 0 353.511 0.618 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423086632 489492024 /nfs/dbraw/zinc/49/20/24/489492024.db2.gz NPUHLKOJIKNXKC-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[C@@H](C)[NH2+]1 ZINC000423092281 489492803 /nfs/dbraw/zinc/49/28/03/489492803.db2.gz BGFWKTVVZAETKH-HUUCEWRRSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[C@H](C)[NH2+]1 ZINC000423092279 489492834 /nfs/dbraw/zinc/49/28/34/489492834.db2.gz BGFWKTVVZAETKH-GASCZTMLSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423101586 489493787 /nfs/dbraw/zinc/49/37/87/489493787.db2.gz WCEDDFQPQLYUAS-IYBDPMFKSA-N 2 0 362.449 0.394 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000570679764 491257014 /nfs/dbraw/zinc/25/70/14/491257014.db2.gz XWYFRPGDZGURSQ-GOEBONIOSA-N 2 0 362.478 0.125 20 0 FCADRP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423150019 489497442 /nfs/dbraw/zinc/49/74/42/489497442.db2.gz YLIHAOIUXHYFGJ-QZTJIDSGSA-N 2 0 374.485 0.296 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423163811 489498945 /nfs/dbraw/zinc/49/89/45/489498945.db2.gz NLXSVJTWYZQAAR-MRXNPFEDSA-N 2 0 364.465 0.784 20 0 FCADRP COC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1C ZINC000414477322 489501051 /nfs/dbraw/zinc/50/10/51/489501051.db2.gz BFTDKGSNDSDESG-UHFFFAOYSA-N 2 0 364.490 0.698 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423210113 489502616 /nfs/dbraw/zinc/50/26/16/489502616.db2.gz JSDNJXVUCSYELP-HZPDHXFCSA-N 2 0 356.511 0.387 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570712527 491259386 /nfs/dbraw/zinc/25/93/86/491259386.db2.gz WLRPEFYYUVNCNF-KRWDZBQOSA-N 2 0 365.522 0.810 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423213548 489503427 /nfs/dbraw/zinc/50/34/27/489503427.db2.gz NMFLZHQJVFPSCL-DLBZAZTESA-N 2 0 362.449 0.633 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000423218108 489503801 /nfs/dbraw/zinc/50/38/01/489503801.db2.gz UWOJZYJMKBWTTR-GOEBONIOSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423219156 489504835 /nfs/dbraw/zinc/50/48/35/489504835.db2.gz WHAUAGSTYGLOSW-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423231636 489505907 /nfs/dbraw/zinc/50/59/07/489505907.db2.gz AVUNNURLDZGIAC-KRWDZBQOSA-N 2 0 362.474 0.283 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000423261678 489508457 /nfs/dbraw/zinc/50/84/57/489508457.db2.gz SQKXOPRIFIPEKX-RBUKOAKNSA-N 2 0 372.513 0.953 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423270044 489509791 /nfs/dbraw/zinc/50/97/91/489509791.db2.gz WJPVHAPADPLMCY-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423270401 489510031 /nfs/dbraw/zinc/51/00/31/489510031.db2.gz WNTJMZNPLOURTI-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423298635 489512476 /nfs/dbraw/zinc/51/24/76/489512476.db2.gz ALKZVLSPLPZJGT-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000423300458 489512624 /nfs/dbraw/zinc/51/26/24/489512624.db2.gz DVXBLOOULMMWFU-SAGYGOJTSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423301899 489513296 /nfs/dbraw/zinc/51/32/96/489513296.db2.gz INJGYABDUZKSPY-VUROTCPHSA-N 2 0 350.507 0.905 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)CC1 ZINC000423304209 489513310 /nfs/dbraw/zinc/51/33/10/489513310.db2.gz NOMTWWZFTCCMRW-MYBQVCMBSA-N 2 0 350.507 0.905 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415374731 489516415 /nfs/dbraw/zinc/51/64/15/489516415.db2.gz ZCYBKPLZXGRWBQ-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000415374061 489516565 /nfs/dbraw/zinc/51/65/65/489516565.db2.gz ILGYZZRPTMFOCW-ZDUSSCGKSA-N 2 0 352.410 0.573 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415417875 489518234 /nfs/dbraw/zinc/51/82/34/489518234.db2.gz WNBLGLNHZCGGHF-OAHLLOKOSA-N 2 0 361.490 0.344 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415419033 489518794 /nfs/dbraw/zinc/51/87/94/489518794.db2.gz PRXFMJSJUVRPLE-CYBMUJFWSA-N 2 0 350.488 0.980 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[NH2+]1 ZINC000415435170 489521332 /nfs/dbraw/zinc/52/13/32/489521332.db2.gz NJYATKCLAGEFGF-CYBMUJFWSA-N 2 0 361.446 0.313 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000415448300 489521987 /nfs/dbraw/zinc/52/19/87/489521987.db2.gz XVKOHKCRKDDWDM-MRXNPFEDSA-N 2 0 373.501 0.583 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)c2)CC1 ZINC000415486975 489525135 /nfs/dbraw/zinc/52/51/35/489525135.db2.gz GEEVVLPKGXKSCI-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415510191 489526144 /nfs/dbraw/zinc/52/61/44/489526144.db2.gz JNDLWUWLENCYHE-CYBMUJFWSA-N 2 0 350.488 0.885 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415514449 489526150 /nfs/dbraw/zinc/52/61/50/489526150.db2.gz ZOWFNVVAGPZBAY-OAHLLOKOSA-N 2 0 373.501 0.868 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415517316 489526819 /nfs/dbraw/zinc/52/68/19/489526819.db2.gz JMABENSQMFCKBJ-UHFFFAOYSA-N 2 0 361.490 0.488 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415582252 489533079 /nfs/dbraw/zinc/53/30/79/489533079.db2.gz UECHGMFDJXAMET-DOTOQJQBSA-N 2 0 373.501 0.568 20 0 FCADRP O=C1OC[C@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)OC[C@H]4C3)CCN12 ZINC000371998491 489533902 /nfs/dbraw/zinc/53/39/02/489533902.db2.gz LDUXOTZVPYAZSM-HUUCEWRRSA-N 2 0 352.435 0.430 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425860745 489534270 /nfs/dbraw/zinc/53/42/70/489534270.db2.gz HNTGZAQSENYRSK-PKOBYXMFSA-N 2 0 370.497 0.930 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000563686859 491263226 /nfs/dbraw/zinc/26/32/26/491263226.db2.gz JPYSFSXZOOPERK-UHFFFAOYSA-N 2 0 370.538 0.602 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415603352 489535816 /nfs/dbraw/zinc/53/58/16/489535816.db2.gz NMAUGCGVMVXMOH-LJQANCHMSA-N 2 0 360.458 0.778 20 0 FCADRP Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000563667402 491261738 /nfs/dbraw/zinc/26/17/38/491261738.db2.gz RSNKYVNADBTETG-HNNXBMFYSA-N 2 0 356.492 0.987 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000415787513 489553163 /nfs/dbraw/zinc/55/31/63/489553163.db2.gz PGCTVDVOAHNMOP-ZDUSSCGKSA-N 2 0 363.462 0.759 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000415814767 489554876 /nfs/dbraw/zinc/55/48/76/489554876.db2.gz JGWKWFRZPCYXFJ-QAPCUYQASA-N 2 0 371.485 0.587 20 0 FCADRP CC[C@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000372192956 489558091 /nfs/dbraw/zinc/55/80/91/489558091.db2.gz RCCAODASQJTDHA-IBGZPJMESA-N 2 0 360.506 0.885 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC[NH2+]C3CC3)c2)CC1 ZINC000415863539 489561220 /nfs/dbraw/zinc/56/12/20/489561220.db2.gz UMQXMIOKKPFILF-UHFFFAOYSA-N 2 0 373.501 0.631 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1)C1CC1 ZINC000415866327 489561492 /nfs/dbraw/zinc/56/14/92/489561492.db2.gz VGTPNPJEUZWBCM-SFHVURJKSA-N 2 0 374.485 0.838 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415867495 489561791 /nfs/dbraw/zinc/56/17/91/489561791.db2.gz PLETWKZTHUPCBB-QGZVFWFLSA-N 2 0 360.458 0.368 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000372234401 489562137 /nfs/dbraw/zinc/56/21/37/489562137.db2.gz UZOBYBJVYUXCCC-VVLHAWIVSA-N 2 0 354.495 0.600 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1OCC[NH+](C)C ZINC000415876094 489562807 /nfs/dbraw/zinc/56/28/07/489562807.db2.gz ZTLKZUVPBWKUNU-CVEARBPZSA-N 2 0 374.485 0.942 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930966 489564832 /nfs/dbraw/zinc/56/48/32/489564832.db2.gz BAABYQFJCWFXAC-AWEZNQCLSA-N 2 0 363.462 0.733 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415998377 489567324 /nfs/dbraw/zinc/56/73/24/489567324.db2.gz UDAJSWJFWHFVRL-CYBMUJFWSA-N 2 0 374.411 0.912 20 0 FCADRP CNC(=O)C[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454422054 489569656 /nfs/dbraw/zinc/56/96/56/489569656.db2.gz LJUKNUITQFKHAR-OAHLLOKOSA-N 2 0 362.478 0.418 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000555662397 491263440 /nfs/dbraw/zinc/26/34/40/491263440.db2.gz FBPKYKDCXVBTDA-CALCHBBNSA-N 2 0 370.538 0.837 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000563704971 491264329 /nfs/dbraw/zinc/26/43/29/491264329.db2.gz APSMIMRVOXIHCE-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(CNC(=O)NCC[N@@H+]1CCCOCC1)NCC[NH+]1CCCCCC1 ZINC000454984278 489584192 /nfs/dbraw/zinc/58/41/92/489584192.db2.gz DSVOTQVVUBPPMW-UHFFFAOYSA-N 2 0 369.510 0.000 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000563709596 491264911 /nfs/dbraw/zinc/26/49/11/491264911.db2.gz SYGRKGYBANLQRR-SJORKVTESA-N 2 0 360.506 0.883 20 0 FCADRP CSC1(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH+](C)CC1 ZINC000427151574 489596548 /nfs/dbraw/zinc/59/65/48/489596548.db2.gz WPNQTUXPCDOOSB-AWEZNQCLSA-N 2 0 356.536 0.340 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455672878 489597842 /nfs/dbraw/zinc/59/78/42/489597842.db2.gz WFGURQIRCIVWFL-HNNXBMFYSA-N 2 0 352.483 0.659 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000555697869 491266877 /nfs/dbraw/zinc/26/68/77/491266877.db2.gz BCLHTYAHOVMSNS-MSOLQXFVSA-N 2 0 360.502 0.876 20 0 FCADRP COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000416804011 489630165 /nfs/dbraw/zinc/63/01/65/489630165.db2.gz CTMABKKNCDRYEQ-LSDHHAIUSA-N 2 0 366.462 0.676 20 0 FCADRP O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000428043057 489634179 /nfs/dbraw/zinc/63/41/79/489634179.db2.gz XAQLKCAUAWRTKH-QZTJIDSGSA-N 2 0 364.534 0.822 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCOCC1 ZINC000416961499 489636946 /nfs/dbraw/zinc/63/69/46/489636946.db2.gz SHXCDQRTGXCZPC-IRXDYDNUSA-N 2 0 355.527 0.326 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000417006886 489638029 /nfs/dbraw/zinc/63/80/29/489638029.db2.gz GHBUBDBRJKKTGX-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417012530 489638760 /nfs/dbraw/zinc/63/87/60/489638760.db2.gz AMJQVQGZHIMILT-IBGZPJMESA-N 2 0 374.533 0.402 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417079746 489640499 /nfs/dbraw/zinc/64/04/99/489640499.db2.gz VYBKAVFSLCKGBS-JSGCOSHPSA-N 2 0 363.428 0.606 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000428178415 489641013 /nfs/dbraw/zinc/64/10/13/489641013.db2.gz UJVXJYUJMIWTGR-UHFFFAOYSA-N 2 0 373.501 0.089 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000417150670 489644053 /nfs/dbraw/zinc/64/40/53/489644053.db2.gz GQCGQRVKRBVJDT-ZIAGYGMSSA-N 2 0 365.444 0.854 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372853406 489644221 /nfs/dbraw/zinc/64/42/21/489644221.db2.gz CGRFAKPBDAEWBP-FQEVSTJZSA-N 2 0 372.513 0.649 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NCCN1CCc2sccc2C1 ZINC000417221772 489644994 /nfs/dbraw/zinc/64/49/94/489644994.db2.gz ORSFHWIUGZGEJS-UHFFFAOYSA-N 2 0 351.520 0.701 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242115 489645734 /nfs/dbraw/zinc/64/57/34/489645734.db2.gz SYCXIXJSOMIJHP-CVEARBPZSA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417426417 489651902 /nfs/dbraw/zinc/65/19/02/489651902.db2.gz GNXOTXRDSJOKKM-JKSUJKDBSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417472015 489655375 /nfs/dbraw/zinc/65/53/75/489655375.db2.gz HZJGTSBDOGDOIT-LSDHHAIUSA-N 2 0 361.490 0.870 20 0 FCADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1C ZINC000417472011 489655617 /nfs/dbraw/zinc/65/56/17/489655617.db2.gz HZJGTSBDOGDOIT-GJZGRUSLSA-N 2 0 361.490 0.870 20 0 FCADRP C[N@H+](CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000417506544 489656186 /nfs/dbraw/zinc/65/61/86/489656186.db2.gz MAFVRLTVSVDQPX-MRXNPFEDSA-N 2 0 353.511 0.890 20 0 FCADRP CN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC([NH3+])C1 ZINC000417514129 489657226 /nfs/dbraw/zinc/65/72/26/489657226.db2.gz IQGJJGGQIVHYOE-UHFFFAOYSA-N 2 0 361.494 0.510 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)C1 ZINC000417547814 489658149 /nfs/dbraw/zinc/65/81/49/489658149.db2.gz PEHIGOOAQUIJEB-KRWDZBQOSA-N 2 0 359.474 0.499 20 0 FCADRP COC[C@@]1(CNC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCC[NH2+]1 ZINC000417548370 489658523 /nfs/dbraw/zinc/65/85/23/489658523.db2.gz QMURZMBBTKYJHM-SFHVURJKSA-N 2 0 356.511 0.944 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)[C@H](C)C1 ZINC000417669053 489660998 /nfs/dbraw/zinc/66/09/98/489660998.db2.gz KRBLRGJLLCKAHE-ZACQAIPSSA-N 2 0 356.511 0.801 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000417663746 489661012 /nfs/dbraw/zinc/66/10/12/489661012.db2.gz AOQKSCCKLMQHCM-ZACQAIPSSA-N 2 0 355.527 0.326 20 0 FCADRP COc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1OCC[NH+](C)C ZINC000417681355 489661141 /nfs/dbraw/zinc/66/11/41/489661141.db2.gz JQJPDQXONWWZIY-GOSISDBHSA-N 2 0 366.462 0.824 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417746643 489663997 /nfs/dbraw/zinc/66/39/97/489663997.db2.gz HLSQNNYHXLVWCW-MRXNPFEDSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417843732 489668165 /nfs/dbraw/zinc/66/81/65/489668165.db2.gz NLZQYWHAOBCTJS-AWEZNQCLSA-N 2 0 355.527 0.768 20 0 FCADRP C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000417851744 489668510 /nfs/dbraw/zinc/66/85/10/489668510.db2.gz GDBRPNFIYNMZOR-HOTGVXAUSA-N 2 0 367.538 0.816 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000417855013 489668733 /nfs/dbraw/zinc/66/87/33/489668733.db2.gz UMZYERWSGVNNMH-OAHLLOKOSA-N 2 0 353.511 0.746 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373128099 489671006 /nfs/dbraw/zinc/67/10/06/489671006.db2.gz YIHDHQAEJMPLNA-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC[N@@H+]1C ZINC000418001086 489674703 /nfs/dbraw/zinc/67/47/03/489674703.db2.gz KHLSDOXAAXMHLU-YYIAUSFCSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@@H]1[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000417993667 489674846 /nfs/dbraw/zinc/67/48/46/489674846.db2.gz AUGGKTLCNGUJIM-UPJWGTAASA-N 2 0 351.417 0.604 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+](C2CC2)C1 ZINC000458404017 489681407 /nfs/dbraw/zinc/68/14/07/489681407.db2.gz AXTWBOFJGANIIY-HOTGVXAUSA-N 2 0 365.522 0.700 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000458411123 489681851 /nfs/dbraw/zinc/68/18/51/489681851.db2.gz AQLDUSALITTWIM-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000418182689 489683130 /nfs/dbraw/zinc/68/31/30/489683130.db2.gz OBCNRAGNYGWCNN-ZSNVMCELSA-N 2 0 365.522 0.696 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000418295975 489689588 /nfs/dbraw/zinc/68/95/88/489689588.db2.gz IMNQUXUSKHTSSQ-UHFFFAOYSA-N 2 0 363.506 0.674 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418359618 489693595 /nfs/dbraw/zinc/69/35/95/489693595.db2.gz ANMTYMCDFYKTQJ-IRXDYDNUSA-N 2 0 355.527 0.278 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418391017 489695884 /nfs/dbraw/zinc/69/58/84/489695884.db2.gz YEGYQEKKADHQDF-MRXNPFEDSA-N 2 0 367.538 0.864 20 0 FCADRP CN(Cc1nncn1C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000489124596 489696093 /nfs/dbraw/zinc/69/60/93/489696093.db2.gz FIOIMNRWESHXEH-UHFFFAOYSA-N 2 0 372.477 0.564 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418408810 489696513 /nfs/dbraw/zinc/69/65/13/489696513.db2.gz NCNIKQYXHBQXPP-LTIDMASMSA-N 2 0 365.522 0.794 20 0 FCADRP C[NH+]1CCC(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000469277176 489699700 /nfs/dbraw/zinc/69/97/00/489699700.db2.gz ZUWGUIJGXNPZRR-UHFFFAOYSA-N 2 0 360.506 0.837 20 0 FCADRP NCC(F)(F)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418543866 489706257 /nfs/dbraw/zinc/70/62/57/489706257.db2.gz TXLYWZJMZYMQAT-HUUCEWRRSA-N 2 0 356.417 0.763 20 0 FCADRP NCC(F)(F)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418543862 489706477 /nfs/dbraw/zinc/70/64/77/489706477.db2.gz TXLYWZJMZYMQAT-CABCVRRESA-N 2 0 356.417 0.763 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418558991 489707091 /nfs/dbraw/zinc/70/70/91/489707091.db2.gz CGUAQMJLROPLBY-WOSRLPQWSA-N 2 0 354.401 0.698 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418562246 489707287 /nfs/dbraw/zinc/70/72/87/489707287.db2.gz QTISSHVYWRPKOO-QZTJIDSGSA-N 2 0 364.490 0.754 20 0 FCADRP COC[C@]1(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000418650804 489715458 /nfs/dbraw/zinc/71/54/58/489715458.db2.gz GREGTLJQCPMQPI-GOSISDBHSA-N 2 0 355.527 0.470 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000489608272 489720332 /nfs/dbraw/zinc/72/03/32/489720332.db2.gz UCNITYCHGFRXJH-BZUAXINKSA-N 2 0 353.511 0.746 20 0 FCADRP C[N@H+](CCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000459152753 489720344 /nfs/dbraw/zinc/72/03/44/489720344.db2.gz JDRBWOSGGXZIAK-KRWDZBQOSA-N 2 0 365.522 0.809 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418734532 489721285 /nfs/dbraw/zinc/72/12/85/489721285.db2.gz SOPURYHVQMQZHF-KVSKMBFKSA-N 2 0 364.465 0.885 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418758144 489723487 /nfs/dbraw/zinc/72/34/87/489723487.db2.gz ZWKUVRVPKAMSEN-INIZCTEOSA-N 2 0 351.495 0.468 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418772470 489724640 /nfs/dbraw/zinc/72/46/40/489724640.db2.gz WRECSLRMRGNNBJ-MRXNPFEDSA-N 2 0 369.460 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810275 489733904 /nfs/dbraw/zinc/73/39/04/489733904.db2.gz HAFVNNLPNCBFEA-UZLBHIALSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000418824054 489739941 /nfs/dbraw/zinc/73/99/41/489739941.db2.gz AKRQKAIRYSIRMF-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000418825964 489741249 /nfs/dbraw/zinc/74/12/49/489741249.db2.gz FNANSSIMOQGCDM-HZSPNIEDSA-N 2 0 350.488 0.820 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000418828490 489742567 /nfs/dbraw/zinc/74/25/67/489742567.db2.gz FNBIKSZYNJDWIL-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccs1 ZINC000418830046 489743288 /nfs/dbraw/zinc/74/32/88/489743288.db2.gz JCSDWJLHKMLRIA-GBJTYRQASA-N 2 0 364.515 0.971 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829951 489743509 /nfs/dbraw/zinc/74/35/09/489743509.db2.gz FHOJWAOTRTXBAH-FXAWDEMLSA-N 2 0 360.502 0.781 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH+]2CCCCC2)cc1 ZINC000418830731 489743538 /nfs/dbraw/zinc/74/35/38/489743538.db2.gz JWDPVWGDEMOYGF-PBHICJAKSA-N 2 0 362.474 0.802 20 0 FCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430545173 489745251 /nfs/dbraw/zinc/74/52/51/489745251.db2.gz HLOYDROBFZFGFV-OAHLLOKOSA-N 2 0 356.492 0.968 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836081 489746321 /nfs/dbraw/zinc/74/63/21/489746321.db2.gz PAUMOEIZEJCJJK-KBPBESRZSA-N 2 0 354.495 0.596 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418834950 489746461 /nfs/dbraw/zinc/74/64/61/489746461.db2.gz MUUZEXIRHUWWDE-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000418837295 489748051 /nfs/dbraw/zinc/74/80/51/489748051.db2.gz AHZKMYLQQOFTOI-NJAFHUGGSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000418838022 489748640 /nfs/dbraw/zinc/74/86/40/489748640.db2.gz UWGZHZHKIDKKQQ-DYVFJYSZSA-N 2 0 352.504 0.973 20 0 FCADRP CCCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000418840448 489749944 /nfs/dbraw/zinc/74/99/44/489749944.db2.gz FHADCICMZDDHMA-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C)c1 ZINC000418839681 489750293 /nfs/dbraw/zinc/75/02/93/489750293.db2.gz DIJOUPVXRFNTTP-RDJZCZTQSA-N 2 0 364.490 0.904 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000418839635 489750534 /nfs/dbraw/zinc/75/05/34/489750534.db2.gz DGWJGODTYMKAMM-RDJZCZTQSA-N 2 0 362.474 0.625 20 0 FCADRP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606569 489751749 /nfs/dbraw/zinc/75/17/49/489751749.db2.gz WHUWOCGZAZHLSB-WMZOPIPTSA-N 2 0 360.502 0.829 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000418842364 489752182 /nfs/dbraw/zinc/75/21/82/489752182.db2.gz ZVWUJWCTHZTNFR-NUJGCVRESA-N 2 0 374.485 0.212 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000474298223 489752168 /nfs/dbraw/zinc/75/21/68/489752168.db2.gz HRJZAEDMLRZNNY-MRXNPFEDSA-N 2 0 351.495 0.490 20 0 FCADRP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608209 489752596 /nfs/dbraw/zinc/75/25/96/489752596.db2.gz DTBFLYKDOFQQFR-GDBMZVCRSA-N 2 0 362.474 0.487 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418850101 489755180 /nfs/dbraw/zinc/75/51/80/489755180.db2.gz DLSWSBKJAWQLOE-QGZVFWFLSA-N 2 0 360.458 0.380 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418849811 489755443 /nfs/dbraw/zinc/75/54/43/489755443.db2.gz NIUWHSSVLWMFAK-SQNIBIBYSA-N 2 0 360.502 0.909 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620186 489756238 /nfs/dbraw/zinc/75/62/38/489756238.db2.gz BVUUFCXCJVXFRV-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630323 489757104 /nfs/dbraw/zinc/75/71/04/489757104.db2.gz YELZYRHRUKNMJN-KRWDZBQOSA-N 2 0 374.485 0.455 20 0 FCADRP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626825 489757432 /nfs/dbraw/zinc/75/74/32/489757432.db2.gz SHRREHLPTIUKHF-MRXNPFEDSA-N 2 0 374.485 0.761 20 0 FCADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430632677 489759450 /nfs/dbraw/zinc/75/94/50/489759450.db2.gz ZAOPKQNWAFQKGN-STQMWFEESA-N 2 0 368.503 0.570 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632627 489759551 /nfs/dbraw/zinc/75/95/51/489759551.db2.gz YEHPZHSWYWTDQP-UONOGXRCSA-N 2 0 367.494 0.320 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856025 489759639 /nfs/dbraw/zinc/75/96/39/489759639.db2.gz WFBXBNWIDKLRGS-QZTJIDSGSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418855265 489759652 /nfs/dbraw/zinc/75/96/52/489759652.db2.gz UPKBUBJWEDAZGK-VJANTYMQSA-N 2 0 372.513 0.861 20 0 FCADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638080 489760907 /nfs/dbraw/zinc/76/09/07/489760907.db2.gz CBXSOOQWGNFFSN-RDJZCZTQSA-N 2 0 374.489 0.059 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)[NH+](C)C)c1 ZINC000418861532 489762566 /nfs/dbraw/zinc/76/25/66/489762566.db2.gz NGMPCRSSEMYSIR-QRTARXTBSA-N 2 0 362.474 0.671 20 0 FCADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652013 489763192 /nfs/dbraw/zinc/76/31/92/489763192.db2.gz WQIWMAAWPZSEOL-DZGCQCFKSA-N 2 0 350.438 0.617 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662786 489763635 /nfs/dbraw/zinc/76/36/35/489763635.db2.gz JACVHHQIILJHGA-SJLPKXTDSA-N 2 0 356.470 0.936 20 0 FCADRP O=C([C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662789 489764050 /nfs/dbraw/zinc/76/40/50/489764050.db2.gz JACVHHQIILJHGA-WMZOPIPTSA-N 2 0 356.470 0.936 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418863722 489764143 /nfs/dbraw/zinc/76/41/43/489764143.db2.gz PQXHNWGORLPZSX-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)nnn1C1CC[NH2+]CC1 ZINC000430681655 489764482 /nfs/dbraw/zinc/76/44/82/489764482.db2.gz FIRPZMWJVKHRMS-MRXNPFEDSA-N 2 0 352.508 0.678 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000418865645 489765184 /nfs/dbraw/zinc/76/51/84/489765184.db2.gz SAQJRRYWXPTYNK-CJNGLKHVSA-N 2 0 350.463 0.528 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[NH+](C)C)c1 ZINC000418867216 489766254 /nfs/dbraw/zinc/76/62/54/489766254.db2.gz UQLTYMZHKOEIGI-ZQIUZPCESA-N 2 0 362.474 0.623 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418870684 489768176 /nfs/dbraw/zinc/76/81/76/489768176.db2.gz YWFWOQJCINZRTN-SFHVURJKSA-N 2 0 370.497 0.979 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)[NH+]2CCCC2)c1 ZINC000418874163 489769073 /nfs/dbraw/zinc/76/90/73/489769073.db2.gz IRIYHXXACHKJPJ-GOSISDBHSA-N 2 0 374.485 0.898 20 0 FCADRP COCC[NH2+]CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430868302 489774094 /nfs/dbraw/zinc/77/40/94/489774094.db2.gz NFEVWHFEMCVKEJ-UHFFFAOYSA-N 2 0 362.474 0.601 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883635 489774859 /nfs/dbraw/zinc/77/48/59/489774859.db2.gz VLBFRVVBSRLBLJ-DOTOQJQBSA-N 2 0 368.522 0.627 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430950751 489780453 /nfs/dbraw/zinc/78/04/53/489780453.db2.gz SCAFXLWUCHTEIY-RYUDHWBXSA-N 2 0 354.476 0.720 20 0 FCADRP C[NH2+]C[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430971270 489783363 /nfs/dbraw/zinc/78/33/63/489783363.db2.gz MORSWDIROONJBV-QGZVFWFLSA-N 2 0 352.523 0.679 20 0 FCADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000431018190 489785374 /nfs/dbraw/zinc/78/53/74/489785374.db2.gz VFQPXVBOZUAHPY-UHFFFAOYSA-N 2 0 358.490 0.591 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033416 489785532 /nfs/dbraw/zinc/78/55/32/489785532.db2.gz PAAFZKBYRNRAAY-KRWDZBQOSA-N 3 0 352.523 0.535 20 0 FCADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000431030515 489785738 /nfs/dbraw/zinc/78/57/38/489785738.db2.gz NYDZFCFMQOPDTK-UHFFFAOYSA-N 2 0 362.518 0.923 20 0 FCADRP COCC[C@@]1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[NH2+]C1 ZINC000431051460 489786685 /nfs/dbraw/zinc/78/66/85/489786685.db2.gz PDDHPTCEKOYJNU-IBGZPJMESA-N 2 0 352.523 0.677 20 0 FCADRP COCC[C@]1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[NH2+]C1 ZINC000431051463 489787098 /nfs/dbraw/zinc/78/70/98/489787098.db2.gz PDDHPTCEKOYJNU-LJQANCHMSA-N 2 0 352.523 0.677 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459908585 489787356 /nfs/dbraw/zinc/78/73/56/489787356.db2.gz QPIISSOCBNGGGE-SJORKVTESA-N 2 0 352.523 0.975 20 0 FCADRP CCC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH2+]CC1 ZINC000431088860 489787797 /nfs/dbraw/zinc/78/77/97/489787797.db2.gz XQLSHXSBPOUQJZ-UHFFFAOYSA-N 2 0 362.478 0.288 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431092363 489789050 /nfs/dbraw/zinc/78/90/50/489789050.db2.gz AWMKCMFAJKCMAK-CYBMUJFWSA-N 2 0 355.401 0.316 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000418917844 489791539 /nfs/dbraw/zinc/79/15/39/489791539.db2.gz IJPJXHOJWHNEAV-HOTGVXAUSA-N 2 0 354.495 0.047 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000418928703 489794107 /nfs/dbraw/zinc/79/41/07/489794107.db2.gz VICNXHDWNJFFAA-YLFCFFPRSA-N 2 0 366.506 0.045 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418950149 489801764 /nfs/dbraw/zinc/80/17/64/489801764.db2.gz VTFGAOPIHCKIKU-RCCFBDPRSA-N 2 0 358.486 0.739 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418950414 489801809 /nfs/dbraw/zinc/80/18/09/489801809.db2.gz HCYONHLFYSYPAM-ZACQAIPSSA-N 2 0 368.522 0.360 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418952943 489802821 /nfs/dbraw/zinc/80/28/21/489802821.db2.gz ZBWUFHBULBTOEV-KSZLIROESA-N 2 0 358.486 0.820 20 0 FCADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000475041530 489803637 /nfs/dbraw/zinc/80/36/37/489803637.db2.gz ZVTKCFMJXJONCX-LJQANCHMSA-N 2 0 362.518 0.794 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418970105 489807317 /nfs/dbraw/zinc/80/73/17/489807317.db2.gz WCHDMDIFSBTAKO-UICACZKSSA-N 2 0 362.449 0.678 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000459981101 489808033 /nfs/dbraw/zinc/80/80/33/489808033.db2.gz AOZITHMHLXUFOE-ULQDDVLXSA-N 2 0 350.507 0.729 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418992569 489812270 /nfs/dbraw/zinc/81/22/70/489812270.db2.gz GHIIIWPAHAXGKM-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000419014148 489817729 /nfs/dbraw/zinc/81/77/29/489817729.db2.gz CGSGEKGVGYOISJ-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419020431 489820793 /nfs/dbraw/zinc/82/07/93/489820793.db2.gz FTZPYEFDYBSUBD-CABCVRRESA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419023184 489821822 /nfs/dbraw/zinc/82/18/22/489821822.db2.gz VXMYXWUSTYQENQ-RTBURBONSA-N 2 0 370.497 0.967 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419026332 489823693 /nfs/dbraw/zinc/82/36/93/489823693.db2.gz NLXQBKUDZGPJPL-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419033594 489825925 /nfs/dbraw/zinc/82/59/25/489825925.db2.gz LPNOWPMRZOPQJY-OAHLLOKOSA-N 2 0 370.563 0.826 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033140 489826804 /nfs/dbraw/zinc/82/68/04/489826804.db2.gz XVBHSRQTLUWIKS-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000419032273 489826813 /nfs/dbraw/zinc/82/68/13/489826813.db2.gz AVWUEUSBCUQOEL-HZMVEIRTSA-N 2 0 368.522 0.626 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419036015 489828189 /nfs/dbraw/zinc/82/81/89/489828189.db2.gz GALZTVNEBYNHAW-QZWWFDLISA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419047003 489832956 /nfs/dbraw/zinc/83/29/56/489832956.db2.gz RALJBVAKGKNMGN-YJBOKZPZSA-N 2 0 356.470 0.974 20 0 FCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419046998 489833364 /nfs/dbraw/zinc/83/33/64/489833364.db2.gz RALJBVAKGKNMGN-MAUKXSAKSA-N 2 0 356.470 0.974 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419047679 489834190 /nfs/dbraw/zinc/83/41/90/489834190.db2.gz YOFPOGRUNHHUKN-JKSUJKDBSA-N 2 0 368.522 0.578 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000460055265 489835620 /nfs/dbraw/zinc/83/56/20/489835620.db2.gz FXWYALPCZIOSNZ-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419051892 489835773 /nfs/dbraw/zinc/83/57/73/489835773.db2.gz CFONKDYAQJKNTO-FGTMMUONSA-N 2 0 374.485 0.199 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419056062 489837482 /nfs/dbraw/zinc/83/74/82/489837482.db2.gz KQXDHNFXTRCOFV-DJIMGWMZSA-N 2 0 362.474 0.103 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419057253 489838345 /nfs/dbraw/zinc/83/83/45/489838345.db2.gz NTJQXHVBYVAOIC-QZTJIDSGSA-N 2 0 374.485 0.072 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419062374 489839976 /nfs/dbraw/zinc/83/99/76/489839976.db2.gz ANIXZWPVBDHXMR-INIZCTEOSA-N 2 0 358.486 0.835 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419072260 489845353 /nfs/dbraw/zinc/84/53/53/489845353.db2.gz BFJXXKYEOBKHST-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419097130 489853950 /nfs/dbraw/zinc/85/39/50/489853950.db2.gz DJFKQOYXEKKPTL-MRXNPFEDSA-N 2 0 368.522 0.724 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[C@H](C)C[NH2+]1 ZINC000419110358 489858863 /nfs/dbraw/zinc/85/88/63/489858863.db2.gz NUFWADQZFMOTLN-CHWSQXEVSA-N 2 0 350.438 0.712 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000460264115 489859185 /nfs/dbraw/zinc/85/91/85/489859185.db2.gz VZLUETOURVPOLY-LJQANCHMSA-N 2 0 364.490 0.883 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000460265762 489860546 /nfs/dbraw/zinc/86/05/46/489860546.db2.gz ZEMCFGBMSIVQEB-SOLBZPMBSA-N 2 0 356.511 0.489 20 0 FCADRP Cc1noc(CN2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433122581 489867520 /nfs/dbraw/zinc/86/75/20/489867520.db2.gz WCISWSAKPKFPIR-UHFFFAOYSA-N 2 0 350.467 0.226 20 0 FCADRP Cc1noc([C@@H](C)N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433136750 489867729 /nfs/dbraw/zinc/86/77/29/489867729.db2.gz MMVYUBJQBNSBSM-CQSZACIVSA-N 2 0 364.494 0.787 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000419125553 489868596 /nfs/dbraw/zinc/86/85/96/489868596.db2.gz KAUKLOLDEQWLLK-ULQDDVLXSA-N 2 0 367.538 0.103 20 0 FCADRP COC(=O)CCc1nnc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433156204 489868846 /nfs/dbraw/zinc/86/88/46/489868846.db2.gz ILWUKHWPCACTQS-UHFFFAOYSA-N 2 0 355.464 0.786 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000433163007 489870040 /nfs/dbraw/zinc/87/00/40/489870040.db2.gz WRZHDVNNNGWPCO-GOSISDBHSA-N 2 0 352.523 0.903 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000433180947 489871162 /nfs/dbraw/zinc/87/11/62/489871162.db2.gz WQQNZMDLZZSZHY-UHFFFAOYSA-N 3 0 352.523 0.761 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000377234748 489873229 /nfs/dbraw/zinc/87/32/29/489873229.db2.gz PZGUIFLBFYJMSU-ALOPSCKCSA-N 2 0 365.522 0.806 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000433280961 489875176 /nfs/dbraw/zinc/87/51/76/489875176.db2.gz GTURSZCCKGPFMC-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000420018840 489882232 /nfs/dbraw/zinc/88/22/32/489882232.db2.gz QFXXICKARPIESX-NVXWUHKLSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433451478 489885307 /nfs/dbraw/zinc/88/53/07/489885307.db2.gz CAQLYIFDMBDPRY-IRXDYDNUSA-N 2 0 370.538 0.974 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030662 489886792 /nfs/dbraw/zinc/88/67/92/489886792.db2.gz GPWDWFKXPXHSTG-KBXIAJHMSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461227 489886858 /nfs/dbraw/zinc/88/68/58/489886858.db2.gz DHPKXOKOAWMERS-HOTGVXAUSA-N 2 0 369.510 0.126 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000433458758 489886882 /nfs/dbraw/zinc/88/68/82/489886882.db2.gz UXJMUPXBTGZDNW-IAGOWNOFSA-N 2 0 370.538 0.974 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420031613 489887101 /nfs/dbraw/zinc/88/71/01/489887101.db2.gz HKAWPNWRGRTINR-DZGCQCFKSA-N 2 0 354.495 0.548 20 0 FCADRP CCOCCN1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000476460644 489891034 /nfs/dbraw/zinc/89/10/34/489891034.db2.gz PRFBDSPZQMFEBV-IRXDYDNUSA-N 2 0 356.511 0.849 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608763 489892796 /nfs/dbraw/zinc/89/27/96/489892796.db2.gz LPTUGCWJQCPXEI-WBVHZDCISA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420057886 489896451 /nfs/dbraw/zinc/89/64/51/489896451.db2.gz HYRZIDVRWUYAAZ-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000420066567 489901644 /nfs/dbraw/zinc/90/16/44/489901644.db2.gz RCYIJBCGDKLEQY-QGZVFWFLSA-N 2 0 362.474 0.439 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965682 491286331 /nfs/dbraw/zinc/28/63/31/491286331.db2.gz VITKTQTVSHUOJG-KRWDZBQOSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000420088450 489907322 /nfs/dbraw/zinc/90/73/22/489907322.db2.gz CENPNKQNPCGMLF-QFBILLFUSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@@H](C)O1 ZINC000420088785 489907468 /nfs/dbraw/zinc/90/74/68/489907468.db2.gz INQARNYWRQEJAW-HUUCEWRRSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000461520756 489916153 /nfs/dbraw/zinc/91/61/53/489916153.db2.gz PPMKCMDOOPSQPF-KRWDZBQOSA-N 2 0 353.467 0.134 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420119321 489919061 /nfs/dbraw/zinc/91/90/61/489919061.db2.gz JNZUJPMIVDIASE-CVEARBPZSA-N 2 0 354.495 0.191 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000420125459 489920613 /nfs/dbraw/zinc/92/06/13/489920613.db2.gz PWPCPHLOFUYOLC-AWEZNQCLSA-N 2 0 363.462 0.373 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576195 489924174 /nfs/dbraw/zinc/92/41/74/489924174.db2.gz AIMIIUIIRBVILA-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)C2)CC1 ZINC000420135303 489924572 /nfs/dbraw/zinc/92/45/72/489924572.db2.gz GRJRTRZJGHHELU-SFHVURJKSA-N 2 0 362.518 0.993 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132895 489924943 /nfs/dbraw/zinc/92/49/43/489924943.db2.gz SQPXQLRQPJCLBP-ZFWWWQNUSA-N 2 0 352.504 0.895 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC[C@@H]21 ZINC000420157835 489935000 /nfs/dbraw/zinc/93/50/00/489935000.db2.gz GUWDRVJBZYMXTN-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420165570 489937511 /nfs/dbraw/zinc/93/75/11/489937511.db2.gz NQFDHBAAYMMDHH-WMZOPIPTSA-N 2 0 360.502 0.888 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000477067974 489938934 /nfs/dbraw/zinc/93/89/34/489938934.db2.gz PJGHVZCBRUCCQJ-HOTGVXAUSA-N 2 0 356.511 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477081422 489939500 /nfs/dbraw/zinc/93/95/00/489939500.db2.gz LZFKVAQKKCEDNZ-ARFHVFGLSA-N 2 0 356.511 0.448 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000477104194 489943094 /nfs/dbraw/zinc/94/30/94/489943094.db2.gz YSTCKDUKMGGBPJ-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000462010582 489950463 /nfs/dbraw/zinc/95/04/63/489950463.db2.gz NZYGWMMYMNFMOJ-JKSUJKDBSA-N 2 0 353.511 0.663 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000420201225 489950553 /nfs/dbraw/zinc/95/05/53/489950553.db2.gz NDCZBCDTWRUQIK-IRXDYDNUSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H](CN1CCOCC1)[NH+](C)C[C@H](C)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713775 489950932 /nfs/dbraw/zinc/95/09/32/489950932.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 2 0 370.582 0.928 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420203565 489950956 /nfs/dbraw/zinc/95/09/56/489950956.db2.gz QFQCXABUYGTVSP-QZTJIDSGSA-N 2 0 374.485 0.214 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000571179792 491290731 /nfs/dbraw/zinc/29/07/31/491290731.db2.gz BFHSBQOAUVJZML-GJZGRUSLSA-N 2 0 350.467 0.854 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420221653 489955549 /nfs/dbraw/zinc/95/55/49/489955549.db2.gz ZNTVTKBTGNUJHK-GVDBMIGSSA-N 2 0 350.507 0.825 20 0 FCADRP CN1CCN(S(=O)(=O)c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)nc2)CC1 ZINC000420237976 489956782 /nfs/dbraw/zinc/95/67/82/489956782.db2.gz MVSQYJGXSDQMFA-KBPBESRZSA-N 2 0 353.492 0.700 20 0 FCADRP CCc1ccccc1[C@H]([NH3+])CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000420265217 489958546 /nfs/dbraw/zinc/95/85/46/489958546.db2.gz BJLWLSZZXQMBEF-OAHLLOKOSA-N 2 0 359.478 0.036 20 0 FCADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420297666 489960943 /nfs/dbraw/zinc/96/09/43/489960943.db2.gz RIZJEJKSBJNROO-YJBOKZPZSA-N 2 0 358.486 0.747 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000420325452 489963333 /nfs/dbraw/zinc/96/33/33/489963333.db2.gz IKILTSGYVMISSE-BEFAXECRSA-N 2 0 361.442 0.860 20 0 FCADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCN1CCCCCC1=O ZINC000420332422 489963528 /nfs/dbraw/zinc/96/35/28/489963528.db2.gz JMOKXLQXVPJQBB-CALCHBBNSA-N 2 0 350.507 0.827 20 0 FCADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420338726 489964661 /nfs/dbraw/zinc/96/46/61/489964661.db2.gz NSWUXBUMMVBWGI-IYBDPMFKSA-N 2 0 360.458 0.495 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571204123 491292476 /nfs/dbraw/zinc/29/24/76/491292476.db2.gz QFGQEKSRYHDZDJ-QGZVFWFLSA-N 2 0 359.474 0.593 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571204122 491292533 /nfs/dbraw/zinc/29/25/33/491292533.db2.gz QFGQEKSRYHDZDJ-KRWDZBQOSA-N 2 0 359.474 0.593 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000477616223 489977789 /nfs/dbraw/zinc/97/77/89/489977789.db2.gz QYYIZZBJKMZSBL-KRWDZBQOSA-N 3 0 356.559 0.147 20 0 FCADRP CSC1(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC[NH+](C)CC1 ZINC000462505852 489979468 /nfs/dbraw/zinc/97/94/68/489979468.db2.gz CWCGKIFYKBEJRH-CABCVRRESA-N 2 0 358.552 0.910 20 0 FCADRP COC(=O)c1c(Cl)cccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420460022 489980661 /nfs/dbraw/zinc/98/06/61/489980661.db2.gz RQFPSIHQTKVSIQ-UHFFFAOYSA-N 2 0 363.867 0.815 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477652882 489981563 /nfs/dbraw/zinc/98/15/63/489981563.db2.gz NTXXJRSLIHCBKH-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000477726545 489987827 /nfs/dbraw/zinc/98/78/27/489987827.db2.gz YBXOODNLCGVHNC-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962006 489987913 /nfs/dbraw/zinc/98/79/13/489987913.db2.gz SRUQFWJVWUSVIB-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP COC(=O)CCCN1CCC([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000462786112 489992185 /nfs/dbraw/zinc/99/21/85/489992185.db2.gz UUCLGRRRMJFQHL-QGZVFWFLSA-N 2 0 354.539 0.877 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378001945 489994416 /nfs/dbraw/zinc/99/44/16/489994416.db2.gz KVJWVJPLBPZWCC-OAHLLOKOSA-N 2 0 367.538 0.959 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478067477 490003732 /nfs/dbraw/zinc/00/37/32/490003732.db2.gz ZIZPWHZGXPCQBA-RBUKOAKNSA-N 2 0 358.486 0.394 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085949 491293979 /nfs/dbraw/zinc/29/39/79/491293979.db2.gz YSWAXLJQDRGXJJ-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000420840091 490025017 /nfs/dbraw/zinc/02/50/17/490025017.db2.gz NXQWBMNEWPSOOK-QZTJIDSGSA-N 2 0 360.502 0.828 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000420904862 490030830 /nfs/dbraw/zinc/03/08/30/490030830.db2.gz PXPYTFKDDSAMEI-SJORKVTESA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000378250322 490034215 /nfs/dbraw/zinc/03/42/15/490034215.db2.gz STRSCATWPXVPTL-QGZVFWFLSA-N 2 0 355.527 0.375 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438705142 490036868 /nfs/dbraw/zinc/03/68/68/490036868.db2.gz FTLNNCVPPNJIGP-HNNXBMFYSA-N 2 0 352.483 0.923 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000564253669 491296475 /nfs/dbraw/zinc/29/64/75/491296475.db2.gz VLOQWIMYZDNBLT-MRXNPFEDSA-N 2 0 360.502 0.960 20 0 FCADRP CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCCC1 ZINC000479064470 490064732 /nfs/dbraw/zinc/06/47/32/490064732.db2.gz RMVMWWHAOPQKJM-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000491057759 490075238 /nfs/dbraw/zinc/07/52/38/490075238.db2.gz WVCAEFDZRGSVMB-UHFFFAOYSA-N 2 0 355.527 0.914 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524544 490077806 /nfs/dbraw/zinc/07/78/06/490077806.db2.gz BMCCOYGNTNIJMT-FGTMMUONSA-N 2 0 365.522 0.129 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524545 490078509 /nfs/dbraw/zinc/07/85/09/490078509.db2.gz BMCCOYGNTNIJMT-KURKYZTESA-N 2 0 365.522 0.129 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000519810146 490086949 /nfs/dbraw/zinc/08/69/49/490086949.db2.gz LWUGMVOSNMMEDD-HNNXBMFYSA-N 2 0 353.511 0.618 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660187419 493333214 /nfs/dbraw/zinc/33/32/14/493333214.db2.gz DQOAPOUYZYSMTF-HNNXBMFYSA-N 2 0 357.524 0.680 20 0 FCADRP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000571310021 491299856 /nfs/dbraw/zinc/29/98/56/491299856.db2.gz POJLGHJIWVMGDU-GJZGRUSLSA-N 2 0 362.526 0.396 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000479689068 490115945 /nfs/dbraw/zinc/11/59/45/490115945.db2.gz QOTOMAUTXTXHAC-HZPDHXFCSA-N 2 0 374.551 0.348 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000520236553 490119932 /nfs/dbraw/zinc/11/99/32/490119932.db2.gz GDADYRBAKFZCLJ-UHFFFAOYSA-N 2 0 353.511 0.570 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1=O ZINC000422012805 490125716 /nfs/dbraw/zinc/12/57/16/490125716.db2.gz CJCMUQZBIPCLSQ-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000520385187 490141125 /nfs/dbraw/zinc/14/11/25/490141125.db2.gz RMKSHRHZGCHXJR-INIZCTEOSA-N 2 0 370.563 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465868922 490148410 /nfs/dbraw/zinc/14/84/10/490148410.db2.gz GTLLAQUBNCETAT-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950510 490156314 /nfs/dbraw/zinc/15/63/14/490156314.db2.gz OVHHTSFXZKVBGV-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000520517432 490156525 /nfs/dbraw/zinc/15/65/25/490156525.db2.gz OTSHWRVICLBTLQ-UHFFFAOYSA-N 2 0 357.476 0.572 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465964751 490158573 /nfs/dbraw/zinc/15/85/73/490158573.db2.gz ZTUURYFJOIAMDU-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465956938 490158889 /nfs/dbraw/zinc/15/88/89/490158889.db2.gz RCVWVFODBFIMNF-IXDOHACOSA-N 2 0 367.538 0.993 20 0 FCADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608407 490169937 /nfs/dbraw/zinc/16/99/37/490169937.db2.gz XZZAEKKVRASREZ-PMACEKPBSA-N 2 0 359.470 0.196 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248454 491305946 /nfs/dbraw/zinc/30/59/46/491305946.db2.gz ZZHWFBQXTRLERC-IRXDYDNUSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000507199359 490187440 /nfs/dbraw/zinc/18/74/40/490187440.db2.gz ICHAWSCWOQAGIH-UHFFFAOYSA-N 2 0 354.414 0.949 20 0 FCADRP CC[NH+]1CCC(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480485049 490199195 /nfs/dbraw/zinc/19/91/95/490199195.db2.gz ZDYNJWGULLESTE-UHFFFAOYSA-N 2 0 357.524 0.824 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603728 490216263 /nfs/dbraw/zinc/21/62/63/490216263.db2.gz APVUMJYAYKPYEQ-PKOBYXMFSA-N 2 0 354.539 0.877 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000507411213 490217348 /nfs/dbraw/zinc/21/73/48/490217348.db2.gz WSXJICZYNKACAW-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422273874 490220658 /nfs/dbraw/zinc/22/06/58/490220658.db2.gz WYJFMSIRNDFYCL-HNNXBMFYSA-N 2 0 364.515 0.991 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CC12CC2 ZINC000422288450 490231863 /nfs/dbraw/zinc/23/18/63/490231863.db2.gz UWCUWWRBAOQHFV-INIZCTEOSA-N 2 0 371.485 0.626 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000497918509 490232316 /nfs/dbraw/zinc/23/23/16/490232316.db2.gz HAQYVRZIDDKTHW-HNNXBMFYSA-N 2 0 366.535 0.575 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000497919596 490232423 /nfs/dbraw/zinc/23/24/23/490232423.db2.gz OZOSQJNSOHCIOT-CVEARBPZSA-N 2 0 359.536 0.863 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000497928963 490234164 /nfs/dbraw/zinc/23/41/64/490234164.db2.gz ZAYITMOPVYLZNO-HKUYNNGSSA-N 2 0 352.523 0.630 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000571505322 491312102 /nfs/dbraw/zinc/31/21/02/491312102.db2.gz LRSMAWBRPNXWSB-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP COC(=O)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000521426881 490259745 /nfs/dbraw/zinc/25/97/45/490259745.db2.gz SEAMHFLIXWYHJR-HNNXBMFYSA-N 2 0 351.447 0.180 20 0 FCADRP C[C@@H]1CN(C(=O)CC(O)CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000408167160 490264212 /nfs/dbraw/zinc/26/42/12/490264212.db2.gz CGMPTDRBPMTFJO-GEEKYZPCSA-N 2 0 368.522 0.230 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCCC1 ZINC000556372811 491312784 /nfs/dbraw/zinc/31/27/84/491312784.db2.gz YRIAYAQYLNYOEC-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000408186960 490270339 /nfs/dbraw/zinc/27/03/39/490270339.db2.gz JZZITRKAWYTFFX-UHFFFAOYSA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000521648963 490286701 /nfs/dbraw/zinc/28/67/01/490286701.db2.gz XBLHIIHZEJOAKC-HNNXBMFYSA-N 2 0 350.507 0.824 20 0 FCADRP COc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000564587567 491315091 /nfs/dbraw/zinc/31/50/91/491315091.db2.gz ALPBXCDHONLNMR-GJZGRUSLSA-N 2 0 363.510 0.656 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000521868896 490303787 /nfs/dbraw/zinc/30/37/87/490303787.db2.gz YCNWUILMMPJFCP-UHFFFAOYSA-N 2 0 360.502 0.819 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437168 490319421 /nfs/dbraw/zinc/31/94/21/490319421.db2.gz YZGDLFZDVFRUCJ-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000422456936 490330630 /nfs/dbraw/zinc/33/06/30/490330630.db2.gz RVVOGWBEKXXMEE-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000467708694 490333849 /nfs/dbraw/zinc/33/38/49/490333849.db2.gz JWOMFNJGTNXRTQ-SFHVURJKSA-N 2 0 374.485 0.155 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138262 490345332 /nfs/dbraw/zinc/34/53/32/490345332.db2.gz VRDWFWQBUWXCKP-MSOLQXFVSA-N 2 0 358.486 0.952 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000483803365 490345812 /nfs/dbraw/zinc/34/58/12/490345812.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 0 351.470 0.803 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436510 490350534 /nfs/dbraw/zinc/35/05/34/490350534.db2.gz NLNNTGNYNIKZIR-IRXDYDNUSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)cnn1C ZINC000508777488 490359495 /nfs/dbraw/zinc/35/94/95/490359495.db2.gz FKDLZZYGZYZYBL-OAHLLOKOSA-N 2 0 357.524 0.765 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000522265985 490361164 /nfs/dbraw/zinc/36/11/64/490361164.db2.gz MWGAZRDQEGDPLJ-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000498947331 490369574 /nfs/dbraw/zinc/36/95/74/490369574.db2.gz HHDZFQDZVRNZDN-IRXDYDNUSA-N 2 0 350.507 0.991 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000498945699 490369836 /nfs/dbraw/zinc/36/98/36/490369836.db2.gz YNCIDENSKDOFMR-IRXDYDNUSA-N 2 0 366.506 0.370 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000498961906 490374372 /nfs/dbraw/zinc/37/43/72/490374372.db2.gz IWWHIQNGQLRTOS-KRWDZBQOSA-N 2 0 366.506 0.324 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410992959 490376684 /nfs/dbraw/zinc/37/66/84/490376684.db2.gz XXKNIQSDSWWQGD-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CCCC1 ZINC000564717805 491322157 /nfs/dbraw/zinc/32/21/57/491322157.db2.gz ABWQTYGBLHLYQE-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000534590360 490387164 /nfs/dbraw/zinc/38/71/64/490387164.db2.gz DYFBIGAOKJXBHS-GJZGRUSLSA-N 2 0 356.536 0.483 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000522974898 490423627 /nfs/dbraw/zinc/42/36/27/490423627.db2.gz FWQWTIGAPAEFFH-CVEARBPZSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422638683 490437897 /nfs/dbraw/zinc/43/78/97/490437897.db2.gz QXEDYZSSDLJVTG-HZSPNIEDSA-N 2 0 362.478 0.129 20 0 FCADRP CN1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000564787481 491326448 /nfs/dbraw/zinc/32/64/48/491326448.db2.gz YCEOMZCOVGFUGJ-OALUTQOASA-N 2 0 374.533 0.259 20 0 FCADRP CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000523453785 490466682 /nfs/dbraw/zinc/46/66/82/490466682.db2.gz FCLSFEOYDHWCGT-HNNXBMFYSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000535337529 490480652 /nfs/dbraw/zinc/48/06/52/490480652.db2.gz XKGQFPXKSREPIS-OAHLLOKOSA-N 2 0 356.536 0.340 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843316 490485580 /nfs/dbraw/zinc/48/55/80/490485580.db2.gz HVIUIAJPOVOKAB-MSOLQXFVSA-N 2 0 361.490 0.477 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422857115 490487032 /nfs/dbraw/zinc/48/70/32/490487032.db2.gz GYALCSLUASNJKM-DLBZAZTESA-N 3 0 354.539 0.923 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804355 491330526 /nfs/dbraw/zinc/33/05/26/491330526.db2.gz OMXZTDSTRXFUMH-WBVHZDCISA-N 2 0 350.507 0.633 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000422906467 490494470 /nfs/dbraw/zinc/49/44/70/490494470.db2.gz JUUQTVDDBUEGFR-DLBZAZTESA-N 2 0 362.474 0.361 20 0 FCADRP CN(C)C(=O)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000523853440 490499931 /nfs/dbraw/zinc/49/99/31/490499931.db2.gz NFIMSFDKQHTAEQ-IBGZPJMESA-N 2 0 362.518 0.796 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000422936347 490501358 /nfs/dbraw/zinc/50/13/58/490501358.db2.gz BKTDKSFGSHPQNJ-KGLIPLIRSA-N 2 0 361.508 0.321 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500433171 490514957 /nfs/dbraw/zinc/51/49/57/490514957.db2.gz SGZINYWJKXNVHH-OAHLLOKOSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500433167 490515363 /nfs/dbraw/zinc/51/53/63/490515363.db2.gz SGZINYWJKXNVHH-HNNXBMFYSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000535720682 490517635 /nfs/dbraw/zinc/51/76/35/490517635.db2.gz GFOHRJYHWQJYGR-QGZVFWFLSA-N 2 0 359.474 0.905 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500460296 490518925 /nfs/dbraw/zinc/51/89/25/490518925.db2.gz XQXHGVSRUIZQSJ-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473657 490520487 /nfs/dbraw/zinc/52/04/87/490520487.db2.gz RCQYMZXRMWIKFL-PKOBYXMFSA-N 2 0 352.523 0.772 20 0 FCADRP C[S@](=O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000524190998 490523507 /nfs/dbraw/zinc/52/35/07/490523507.db2.gz MJXWMIAOQFAWAU-VWLOTQADSA-N 2 0 367.519 0.662 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391190 490528372 /nfs/dbraw/zinc/52/83/72/490528372.db2.gz PSUCPKJRTFSKRT-JKSUJKDBSA-N 2 0 353.511 0.557 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423074529 490536715 /nfs/dbraw/zinc/53/67/15/490536715.db2.gz UXWSMTYKZSGLME-IPMKNSEASA-N 2 0 370.497 0.787 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000524465281 490539902 /nfs/dbraw/zinc/53/99/02/490539902.db2.gz QBQQGQKXUSWIKJ-HNNXBMFYSA-N 2 0 351.495 0.465 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485536255 490540243 /nfs/dbraw/zinc/54/02/43/490540243.db2.gz HYQOVJFPUJCZEU-WMZOPIPTSA-N 2 0 373.501 0.743 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000485827857 490561036 /nfs/dbraw/zinc/56/10/36/490561036.db2.gz JCVNAKHSLZVXHY-HZPDHXFCSA-N 2 0 364.494 0.776 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000556796031 491337315 /nfs/dbraw/zinc/33/73/15/491337315.db2.gz TWDCVXWZZBHYNV-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000501125799 490580865 /nfs/dbraw/zinc/58/08/65/490580865.db2.gz KAJSTNXFFYEZAH-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP CCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000525175086 490581349 /nfs/dbraw/zinc/58/13/49/490581349.db2.gz KDZCQNQHNSFIOP-OAHLLOKOSA-N 2 0 352.479 0.304 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564934419 491338229 /nfs/dbraw/zinc/33/82/29/491338229.db2.gz NQFHVADTXSIXHI-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP Cc1noc(COCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000511553190 490603026 /nfs/dbraw/zinc/60/30/26/490603026.db2.gz QPHNNYIZJUCNHR-UHFFFAOYSA-N 2 0 374.445 0.618 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501598653 490620575 /nfs/dbraw/zinc/62/05/75/490620575.db2.gz OGRZWBOAWYWXCQ-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP CCC[C@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000501607182 490622936 /nfs/dbraw/zinc/62/29/36/490622936.db2.gz ZQWMGVYQPMJKIJ-SFHVURJKSA-N 2 0 354.539 0.973 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619630 490623859 /nfs/dbraw/zinc/62/38/59/490623859.db2.gz CQXMJFJLEKSDGB-KYJSFNMBSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486442069 490626556 /nfs/dbraw/zinc/62/65/56/490626556.db2.gz NNXDCUBADISKSU-YVSFHVDLSA-N 2 0 350.507 0.443 20 0 FCADRP CN1C(=O)COc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000525884469 490645719 /nfs/dbraw/zinc/64/57/19/490645719.db2.gz FEPPXNPTXMQXHA-UHFFFAOYSA-N 2 0 363.462 0.999 20 0 FCADRP C[C@@H]1CC[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000537159583 490654295 /nfs/dbraw/zinc/65/42/95/490654295.db2.gz ZWKWZUUUWNSHDD-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000550337672 490661608 /nfs/dbraw/zinc/66/16/08/490661608.db2.gz LVFCBROKQXAKHO-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512216026 490664874 /nfs/dbraw/zinc/66/48/74/490664874.db2.gz ABDZBQBHXLNQJT-GOSISDBHSA-N 2 0 369.554 0.550 20 0 FCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000564989126 491344565 /nfs/dbraw/zinc/34/45/65/491344565.db2.gz RCJKPJWMIVVHQE-CQSZACIVSA-N 2 0 369.487 0.400 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000526074988 490673527 /nfs/dbraw/zinc/67/35/27/490673527.db2.gz WYFRCYWRFVPWED-KRWDZBQOSA-N 2 0 355.527 0.375 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486817837 490673676 /nfs/dbraw/zinc/67/36/76/490673676.db2.gz ICOADIYTCKXIEZ-XSTFNKQASA-N 2 0 364.534 0.925 20 0 FCADRP CN(C)c1cnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000502079398 490674742 /nfs/dbraw/zinc/67/47/42/490674742.db2.gz IWYIWHXPNSAYFA-UHFFFAOYSA-N 2 0 369.473 0.880 20 0 FCADRP C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000526131905 490678286 /nfs/dbraw/zinc/67/82/86/490678286.db2.gz AIKWGRKODYYYQX-CQSZACIVSA-N 2 0 364.494 0.744 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000512530021 490687192 /nfs/dbraw/zinc/68/71/92/490687192.db2.gz XTSHLLHBOODRKW-KRWDZBQOSA-N 2 0 364.490 0.845 20 0 FCADRP CN(C)c1nccc(N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)n1 ZINC000565047739 491348093 /nfs/dbraw/zinc/34/80/93/491348093.db2.gz PGORZTBIMHUXOJ-ROUUACIJSA-N 3 0 370.501 0.596 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557001288 491348649 /nfs/dbraw/zinc/34/86/49/491348649.db2.gz QALDCEFKFBLKKU-AWEZNQCLSA-N 2 0 364.515 0.991 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011945 491349225 /nfs/dbraw/zinc/34/92/25/491349225.db2.gz QFXWCBVFSQVGBI-DOTOQJQBSA-N 2 0 362.449 0.898 20 0 FCADRP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000487553959 490718318 /nfs/dbraw/zinc/71/83/18/490718318.db2.gz QLSZNTGPTJKRMR-YALNPMBYSA-N 2 0 350.507 0.441 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000502795965 490721700 /nfs/dbraw/zinc/72/17/00/490721700.db2.gz NAOMEEQSVVCDQL-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000502795967 490721817 /nfs/dbraw/zinc/72/18/17/490721817.db2.gz NAOMEEQSVVCDQL-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513492858 490734696 /nfs/dbraw/zinc/73/46/96/490734696.db2.gz OWVXXWJNUBRKFV-OAGGEKHMSA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527806783 490760781 /nfs/dbraw/zinc/76/07/81/490760781.db2.gz MMSDKPDAHPUTCS-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cn1 ZINC000514601259 490774152 /nfs/dbraw/zinc/77/41/52/490774152.db2.gz ZTUQYAXJSCLKSH-UKRRQHHQSA-N 2 0 350.467 0.407 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000514601257 490774206 /nfs/dbraw/zinc/77/42/06/490774206.db2.gz ZTUQYAXJSCLKSH-DZGCQCFKSA-N 2 0 350.467 0.407 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000514661655 490778662 /nfs/dbraw/zinc/77/86/62/490778662.db2.gz KBXPVAPWAISKMZ-GJZGRUSLSA-N 2 0 360.458 0.906 20 0 FCADRP CN1CCN(c2cc(N3CCC(C)([NH+]4CCOCC4)CC3)ncn2)CC1=O ZINC000528189211 490782233 /nfs/dbraw/zinc/78/22/33/490782233.db2.gz KGDSLENLGPLDFE-UHFFFAOYSA-N 2 0 374.489 0.446 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000514864586 490794180 /nfs/dbraw/zinc/79/41/80/490794180.db2.gz HSVMSWUTRPRARE-FUHWJXTLSA-N 2 0 372.517 0.978 20 0 FCADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514947259 490799696 /nfs/dbraw/zinc/79/96/96/490799696.db2.gz SSXTZRJKJQURDX-GOSISDBHSA-N 2 0 356.555 0.275 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049584 490804975 /nfs/dbraw/zinc/80/49/75/490804975.db2.gz AEXKNGIGPQMBDQ-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000572238438 491357730 /nfs/dbraw/zinc/35/77/30/491357730.db2.gz OHORXQRTYPOKMY-UHFFFAOYSA-N 2 0 372.477 0.094 20 0 FCADRP CC(=O)NCC(=O)N1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000528738801 490825665 /nfs/dbraw/zinc/82/56/65/490825665.db2.gz QSPPUAVECJYOMZ-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@]1(CO)C[NH+](C/C=C\C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753329 490826287 /nfs/dbraw/zinc/82/62/87/490826287.db2.gz WDBFPSDKOZEPNL-DQTQQJQMSA-N 2 0 370.534 0.168 20 0 FCADRP C[C@]1(CO)C[NH+](CCCC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528751648 490826456 /nfs/dbraw/zinc/82/64/56/490826456.db2.gz MIZOKCODQUSSAF-FGYAAKKASA-N 2 0 372.550 0.392 20 0 FCADRP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506047923 490848845 /nfs/dbraw/zinc/84/88/45/490848845.db2.gz RSAOYHIMFFISCV-OAHLLOKOSA-N 2 0 355.479 0.489 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516091232 490850104 /nfs/dbraw/zinc/85/01/04/490850104.db2.gz GCOLOIXNOXOKTA-UONOGXRCSA-N 2 0 361.446 0.533 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000557245656 491361620 /nfs/dbraw/zinc/36/16/20/491361620.db2.gz WXMSARXGJVTEKZ-HXUWFJFHSA-N 2 0 358.486 0.967 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000529336736 490854635 /nfs/dbraw/zinc/85/46/35/490854635.db2.gz GIWGZAPEGZBNDP-INMHGKMJSA-N 2 0 351.495 0.273 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000529337975 490854654 /nfs/dbraw/zinc/85/46/54/490854654.db2.gz KZMDFSUSNIXOQY-OLZOCXBDSA-N 2 0 351.417 0.462 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000529337978 490854860 /nfs/dbraw/zinc/85/48/60/490854860.db2.gz KZMDFSUSNIXOQY-QWHCGFSZSA-N 2 0 351.417 0.462 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ccc21 ZINC000565237008 491363224 /nfs/dbraw/zinc/36/32/24/491363224.db2.gz OTBPFAQCPDULII-HZPDHXFCSA-N 2 0 355.442 0.374 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000517019718 490891113 /nfs/dbraw/zinc/89/11/13/490891113.db2.gz IXURWRVJXDZYEG-AEFFLSMTSA-N 2 0 356.470 0.544 20 0 FCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)NC1C[NH2+]C1 ZINC000517092548 490894909 /nfs/dbraw/zinc/89/49/09/490894909.db2.gz APUNXEIGMNCKJY-UHFFFAOYSA-N 2 0 357.458 0.245 20 0 FCADRP Cc1cc2c(cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)OCO2 ZINC000530376148 490902239 /nfs/dbraw/zinc/90/22/39/490902239.db2.gz QLEDQLJAUJERAV-UHFFFAOYSA-N 2 0 357.476 0.838 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542675196 490904159 /nfs/dbraw/zinc/90/41/59/490904159.db2.gz OURKKSCYMUTJQB-GOSISDBHSA-N 2 0 366.550 0.831 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccc(F)c1 ZINC000517758655 490920336 /nfs/dbraw/zinc/92/03/36/490920336.db2.gz AYRQDMJWDOAYTI-BZUAXINKSA-N 2 0 363.437 0.382 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000517821311 490922475 /nfs/dbraw/zinc/92/24/75/490922475.db2.gz RRQUPTKONPAECT-JKSUJKDBSA-N 2 0 353.511 0.761 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000518134222 490931303 /nfs/dbraw/zinc/93/13/03/490931303.db2.gz JXWOLDVUXVJLNN-HNNXBMFYSA-N 2 0 361.494 0.986 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CCN2C1=O ZINC000565251442 491365374 /nfs/dbraw/zinc/36/53/74/491365374.db2.gz SDXVFJMYOMJJDW-RBSFLKMASA-N 2 0 361.446 0.370 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C[C@H]12 ZINC000518514677 490943795 /nfs/dbraw/zinc/94/37/95/490943795.db2.gz IMSPEHRJCDAOGC-AGTSVGGPSA-N 2 0 360.502 0.657 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000557295450 491365933 /nfs/dbraw/zinc/36/59/33/491365933.db2.gz GUXMMGPNOSPQAI-HUUCEWRRSA-N 2 0 358.486 0.869 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000531233125 490947411 /nfs/dbraw/zinc/94/74/11/490947411.db2.gz UFWILTFMASOMCP-UHFFFAOYSA-N 2 0 362.478 0.877 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(OC[C@H]3CCOC3)CC2)C1=O ZINC000544055503 490956145 /nfs/dbraw/zinc/95/61/45/490956145.db2.gz UEBAKPCKHBLAIV-DOTOQJQBSA-N 2 0 367.490 0.583 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000519207167 490965323 /nfs/dbraw/zinc/96/53/23/490965323.db2.gz QXNNCPZZQINAFP-QGZVFWFLSA-N 2 0 357.543 0.478 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000519207166 490965393 /nfs/dbraw/zinc/96/53/93/490965393.db2.gz QXNNCPZZQINAFP-KRWDZBQOSA-N 2 0 357.543 0.478 20 0 FCADRP CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC000544685790 490976656 /nfs/dbraw/zinc/97/66/56/490976656.db2.gz RJJKYTSNPGHNBM-BZUAXINKSA-N 2 0 368.547 0.435 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532093841 490986433 /nfs/dbraw/zinc/98/64/33/490986433.db2.gz JXQXCZIYVMUXGT-IBGZPJMESA-N 2 0 365.566 0.641 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532282232 490990293 /nfs/dbraw/zinc/99/02/93/490990293.db2.gz FNYYBCPBIOXBEZ-IAGOWNOFSA-N 2 0 368.522 0.462 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000553996419 491168472 /nfs/dbraw/zinc/16/84/72/491168472.db2.gz IBIBXCRUTBQQHG-BFZKSOEOSA-N 2 0 365.522 0.852 20 0 FCADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[C@H](C)[N@H+]1C ZINC000562672119 491180243 /nfs/dbraw/zinc/18/02/43/491180243.db2.gz MDNYWIFCVIMRJO-DJSILETISA-N 2 0 365.522 0.804 20 0 FCADRP COC[C@@]1(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000565308965 491369302 /nfs/dbraw/zinc/36/93/02/491369302.db2.gz XBULSDVIMWOZCH-IBGZPJMESA-N 2 0 361.490 0.479 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419904 491375352 /nfs/dbraw/zinc/37/53/52/491375352.db2.gz LPFGMRVZKCZGDE-ZOWXZIJZSA-N 2 0 366.428 0.471 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419902 491375489 /nfs/dbraw/zinc/37/54/89/491375489.db2.gz LPFGMRVZKCZGDE-LALPHHSUSA-N 2 0 366.428 0.471 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000572509524 491375488 /nfs/dbraw/zinc/37/54/88/491375488.db2.gz NUDCGWQSQCBYRP-HOTGVXAUSA-N 2 0 356.511 0.402 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432519 491376155 /nfs/dbraw/zinc/37/61/55/491376155.db2.gz VEVRSUYTOXLICR-KURKYZTESA-N 2 0 371.485 0.777 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432521 491376514 /nfs/dbraw/zinc/37/65/14/491376514.db2.gz VEVRSUYTOXLICR-KZNAEPCWSA-N 2 0 371.485 0.777 20 0 FCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000565431832 491376541 /nfs/dbraw/zinc/37/65/41/491376541.db2.gz QNQUUHDNZAPUAC-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572527492 491376576 /nfs/dbraw/zinc/37/65/76/491376576.db2.gz YEROKRKZYBTJKY-OAHLLOKOSA-N 2 0 362.478 0.737 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000557561598 491383261 /nfs/dbraw/zinc/38/32/61/491383261.db2.gz OHMDCVSBUPEYAC-GJZGRUSLSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000565615496 491389391 /nfs/dbraw/zinc/38/93/91/491389391.db2.gz FYHYJVCXVBQQDN-JKSUJKDBSA-N 2 0 356.511 0.450 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000572740841 491390744 /nfs/dbraw/zinc/39/07/44/491390744.db2.gz ODLFCGOURWXUMT-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000572762136 491392227 /nfs/dbraw/zinc/39/22/27/491392227.db2.gz DUZFBPXWDBRGPA-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000565672244 491393033 /nfs/dbraw/zinc/39/30/33/491393033.db2.gz ZFMXLGNALQBTAK-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(CNC(=O)N1CCN(Cc2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000572857694 491398100 /nfs/dbraw/zinc/39/81/00/491398100.db2.gz PPQLPTFJFWIFAT-UHFFFAOYSA-N 2 0 363.437 0.085 20 0 FCADRP CN1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000565823300 491401386 /nfs/dbraw/zinc/40/13/86/491401386.db2.gz KFAGUVHQGXGHFK-HNNXBMFYSA-N 2 0 355.552 0.632 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000565827896 491401870 /nfs/dbraw/zinc/40/18/70/491401870.db2.gz ODYWVBPZXMYJHD-HZPDHXFCSA-N 2 0 354.495 0.143 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000558007569 491408289 /nfs/dbraw/zinc/40/82/89/491408289.db2.gz VMNSCNPNWMLDAA-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000558010419 491408861 /nfs/dbraw/zinc/40/88/61/491408861.db2.gz JODAQDFGCFLQPQ-INIZCTEOSA-N 2 0 356.511 0.402 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368564 493341869 /nfs/dbraw/zinc/34/18/69/493341869.db2.gz BNLRTJXIJUEMLX-QZTJIDSGSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000558210942 491419953 /nfs/dbraw/zinc/41/99/53/491419953.db2.gz WYLBTMNESTUSBT-GJZGRUSLSA-N 2 0 354.495 0.155 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)N3CCO[C@H](C[NH3+])C3)CCCC2)CC1 ZINC000573308217 491425131 /nfs/dbraw/zinc/42/51/31/491425131.db2.gz UUAJIPSWBCLQNR-MRXNPFEDSA-N 2 0 354.495 0.779 20 0 FCADRP CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000566246133 491429996 /nfs/dbraw/zinc/42/99/96/491429996.db2.gz JBSPJYDTYWTCOV-UHFFFAOYSA-N 2 0 372.457 0.180 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000566288851 491432947 /nfs/dbraw/zinc/43/29/47/491432947.db2.gz NCURUQFPUVKXFR-OWCLPIDISA-N 2 0 364.494 0.649 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566296931 491433623 /nfs/dbraw/zinc/43/36/23/491433623.db2.gz AACINJNCNQMGGG-KRWDZBQOSA-N 2 0 362.522 0.352 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H](C)O1 ZINC000558548950 491435496 /nfs/dbraw/zinc/43/54/96/491435496.db2.gz FPAYMZMXIPSMQW-CALCHBBNSA-N 2 0 370.538 0.974 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000566396678 491440971 /nfs/dbraw/zinc/44/09/71/491440971.db2.gz FDYSPMWLZIVLNH-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000558725059 491443980 /nfs/dbraw/zinc/44/39/80/491443980.db2.gz KXKXBHMCCTZDSH-UHFFFAOYSA-N 2 0 354.539 0.973 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000573793498 491455070 /nfs/dbraw/zinc/45/50/70/491455070.db2.gz XOBCZYLLGFORBR-OAHLLOKOSA-N 2 0 364.465 0.913 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000573826764 491457526 /nfs/dbraw/zinc/45/75/26/491457526.db2.gz JVDILEDCYOBGPV-MRXNPFEDSA-N 2 0 354.495 0.015 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000573920523 491462940 /nfs/dbraw/zinc/46/29/40/491462940.db2.gz PYESWMPWNHDQJR-CABCVRRESA-N 2 0 361.490 0.615 20 0 FCADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310681 491464014 /nfs/dbraw/zinc/46/40/14/491464014.db2.gz CJCBORPNSQJFED-FQEVSTJZSA-N 2 0 372.517 0.933 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)CCN1C ZINC000559360642 491467069 /nfs/dbraw/zinc/46/70/69/491467069.db2.gz MKIHDHOUSYUMDZ-LSDHHAIUSA-N 2 0 350.463 0.797 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000559396435 491469962 /nfs/dbraw/zinc/46/99/62/491469962.db2.gz NFHIIDDBOCQGOP-IYBDPMFKSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000559415456 491471081 /nfs/dbraw/zinc/47/10/81/491471081.db2.gz VXKRNHVSCSCWFH-QRVBRYPASA-N 2 0 372.513 0.828 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574179961 491479808 /nfs/dbraw/zinc/47/98/08/491479808.db2.gz AIDAUNHAHAPEOM-RCJHGTSTSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559588535 491483244 /nfs/dbraw/zinc/48/32/44/491483244.db2.gz OMRLXMBZEZDVMV-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000567067002 491483668 /nfs/dbraw/zinc/48/36/68/491483668.db2.gz LMPZJNHAJAZXGW-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389131 493345778 /nfs/dbraw/zinc/34/57/78/493345778.db2.gz ROWSXJCYYZEXCF-JKSUJKDBSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000559668019 491490869 /nfs/dbraw/zinc/49/08/69/491490869.db2.gz DZSWVBMLOCFATK-INIZCTEOSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000567201683 491491896 /nfs/dbraw/zinc/49/18/96/491491896.db2.gz HQNQYYNCDZLFCI-OAGGEKHMSA-N 2 0 353.511 0.746 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000567194297 491491972 /nfs/dbraw/zinc/49/19/72/491491972.db2.gz RQKKACOBIYYQEQ-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000574386430 491492524 /nfs/dbraw/zinc/49/25/24/491492524.db2.gz WEDYJXFZGXGEEN-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559705799 491493247 /nfs/dbraw/zinc/49/32/47/491493247.db2.gz XLBZTHNPOYWATN-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000559748171 491495356 /nfs/dbraw/zinc/49/53/56/491495356.db2.gz OYOTUAXEMSUFQM-MHGIMSBQSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CC[NH+](C)CC1 ZINC000559751833 491495875 /nfs/dbraw/zinc/49/58/75/491495875.db2.gz CJHUVUWMBIYXAZ-KSSFIOAISA-N 2 0 366.531 0.937 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000567281762 491496815 /nfs/dbraw/zinc/49/68/15/491496815.db2.gz MWPIJCSTYBRZCV-UHFFFAOYSA-N 2 0 364.538 0.634 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000567286856 491497313 /nfs/dbraw/zinc/49/73/13/491497313.db2.gz ZMJVXTBHQGLCSI-PMACEKPBSA-N 2 0 374.529 0.682 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000559763633 491497465 /nfs/dbraw/zinc/49/74/65/491497465.db2.gz QUOKPPUAGSKDIS-SJORKVTESA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000567387960 491503385 /nfs/dbraw/zinc/50/33/85/491503385.db2.gz PEPLMSFEGHQBAX-UHFFFAOYSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000574548677 491504596 /nfs/dbraw/zinc/50/45/96/491504596.db2.gz VKMJZXGYBMJYSW-GASCZTMLSA-N 2 0 353.511 0.474 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868396 491506906 /nfs/dbraw/zinc/50/69/06/491506906.db2.gz QJRSTIJWRRUCQW-KRWDZBQOSA-N 2 0 356.536 0.483 20 0 FCADRP Cc1ccc([C@H](NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000567487719 491509004 /nfs/dbraw/zinc/50/90/04/491509004.db2.gz XYVRHXAIXWRTDE-LMMKCTJWSA-N 2 0 356.470 0.806 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567522075 491511815 /nfs/dbraw/zinc/51/18/15/491511815.db2.gz FGOKQZCLOUVZKS-HZPDHXFCSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529275 491512147 /nfs/dbraw/zinc/51/21/47/491512147.db2.gz LXHLNYATNWMCSX-CRAIPNDOSA-N 2 0 370.563 0.778 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000560024572 491516227 /nfs/dbraw/zinc/51/62/27/491516227.db2.gz MUWUWFZTRVRIPD-DLBZAZTESA-N 2 0 366.506 0.035 20 0 FCADRP COc1ccc(COC[C@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567605718 491517435 /nfs/dbraw/zinc/51/74/35/491517435.db2.gz BKWNQZIUPLEUNR-SJLPKXTDSA-N 2 0 351.491 0.798 20 0 FCADRP COCC(=O)N1CCC([NH2+]C[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000574749889 491517647 /nfs/dbraw/zinc/51/76/47/491517647.db2.gz KWELNUAWBWKCKF-IBGZPJMESA-N 2 0 361.486 0.633 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CCCO1 ZINC000683373594 493347814 /nfs/dbraw/zinc/34/78/14/493347814.db2.gz FPGFZRSRIDSXJG-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000560101900 491520024 /nfs/dbraw/zinc/52/00/24/491520024.db2.gz OMUGPURRGADOAA-UHFFFAOYSA-N 2 0 359.430 0.197 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567735715 491526148 /nfs/dbraw/zinc/52/61/48/491526148.db2.gz QREKHGNARIOBHR-KSZLIROESA-N 2 0 358.486 0.950 20 0 FCADRP C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000567815063 491531504 /nfs/dbraw/zinc/53/15/04/491531504.db2.gz VFAMNSGTDOGQAX-BDJLRTHQSA-N 2 0 356.829 0.663 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000567894859 491539048 /nfs/dbraw/zinc/53/90/48/491539048.db2.gz ZEJXWYVTKOQMDJ-UHFFFAOYSA-N 3 0 351.539 0.158 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000575108639 491539608 /nfs/dbraw/zinc/53/96/08/491539608.db2.gz WMLMEFVZGAXTGI-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000575243555 491547508 /nfs/dbraw/zinc/54/75/08/491547508.db2.gz LJBNHDHEFOWVQC-QRVBRYPASA-N 2 0 370.497 0.774 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321354 491548628 /nfs/dbraw/zinc/54/86/28/491548628.db2.gz YLOQAPUNRUZXTA-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000560732907 491554278 /nfs/dbraw/zinc/55/42/78/491554278.db2.gz MAHQCLQPUNKLLF-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000560764934 491555843 /nfs/dbraw/zinc/55/58/43/491555843.db2.gz JAWLWQRSLGAXQB-MRXNPFEDSA-N 2 0 356.511 0.260 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000560764926 491555938 /nfs/dbraw/zinc/55/59/38/491555938.db2.gz JAWLWQRSLGAXQB-INIZCTEOSA-N 2 0 356.511 0.260 20 0 FCADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000568192499 491558378 /nfs/dbraw/zinc/55/83/78/491558378.db2.gz MQHFLSICTQILOZ-KRWDZBQOSA-N 2 0 361.490 0.431 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000568207896 491559549 /nfs/dbraw/zinc/55/95/49/491559549.db2.gz RKDAVRYOGYKGEP-GOSISDBHSA-N 2 0 371.485 0.941 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+](C)C)cc1OC ZINC000568292269 491567478 /nfs/dbraw/zinc/56/74/78/491567478.db2.gz IOQPFURNGILYFD-AWEZNQCLSA-N 2 0 366.462 0.230 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC000561010452 491569625 /nfs/dbraw/zinc/56/96/25/491569625.db2.gz GBPWNTOUSCQEDN-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000561014308 491570141 /nfs/dbraw/zinc/57/01/41/491570141.db2.gz GZTDIRISAMDYCG-UHFFFAOYSA-N 2 0 366.506 0.348 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000561016446 491570905 /nfs/dbraw/zinc/57/09/05/491570905.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000576010709 491575803 /nfs/dbraw/zinc/57/58/03/491575803.db2.gz IFDQXNVWYHSXNP-HNNXBMFYSA-N 2 0 364.490 0.101 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576044286 491577752 /nfs/dbraw/zinc/57/77/52/491577752.db2.gz NZYGNCUDYKSAJE-KURKYZTESA-N 2 0 372.517 0.835 20 0 FCADRP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568501509 491580919 /nfs/dbraw/zinc/58/09/19/491580919.db2.gz PBNBKMJSSDLTEI-RHSMWYFYSA-N 2 0 358.442 0.938 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000576100549 491581641 /nfs/dbraw/zinc/58/16/41/491581641.db2.gz PRAKYNBHWRVCAF-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000577047991 491583492 /nfs/dbraw/zinc/58/34/92/491583492.db2.gz JDQSHIXISFDXKQ-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561207730 491583514 /nfs/dbraw/zinc/58/35/14/491583514.db2.gz MGECEOSXNIJXAY-JYJNAYRXSA-N 2 0 351.495 0.357 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577112558 491591260 /nfs/dbraw/zinc/59/12/60/491591260.db2.gz XZOHJVPFOXYQAP-VVLHAWIVSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000568628541 491594087 /nfs/dbraw/zinc/59/40/87/491594087.db2.gz ULFGYZFDVSQNGB-OLZOCXBDSA-N 2 0 363.462 0.757 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577163162 491596865 /nfs/dbraw/zinc/59/68/65/491596865.db2.gz YMWOCGHAKYLBEP-INIZCTEOSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000577175676 491597958 /nfs/dbraw/zinc/59/79/58/491597958.db2.gz HARFZIOAOLYDBH-LBPRGKRZSA-N 2 0 351.476 0.807 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C[C@H](C)O1 ZINC000576330391 491605154 /nfs/dbraw/zinc/60/51/54/491605154.db2.gz MZGIZAUERARXOX-JZXOWHBKSA-N 2 0 367.538 0.421 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000568745673 491605386 /nfs/dbraw/zinc/60/53/86/491605386.db2.gz YUUNXOXHHRHSOZ-UXLLHSPISA-N 2 0 366.506 0.202 20 0 FCADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000568740843 491605530 /nfs/dbraw/zinc/60/55/30/491605530.db2.gz ZSFUASKIVCYYNE-CYBMUJFWSA-N 2 0 354.476 0.033 20 0 FCADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000577274578 491608156 /nfs/dbraw/zinc/60/81/56/491608156.db2.gz PKEDTBUSTUXXOG-KURKYZTESA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000576458647 491616398 /nfs/dbraw/zinc/61/63/98/491616398.db2.gz XPBHZPVDLFHFKZ-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577396016 491618877 /nfs/dbraw/zinc/61/88/77/491618877.db2.gz YBAPRBVSVILVAE-YVSFHVDLSA-N 2 0 363.506 0.367 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000568915980 491619819 /nfs/dbraw/zinc/61/98/19/491619819.db2.gz WTTGGNXXEIHKJU-IXDOHACOSA-N 2 0 365.522 0.842 20 0 FCADRP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000576578727 491626355 /nfs/dbraw/zinc/62/63/55/491626355.db2.gz KNSWKCOTZHOYTK-ORPDJEOSSA-N 2 0 365.474 0.980 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008763 491627074 /nfs/dbraw/zinc/62/70/74/491627074.db2.gz YOGFCQKEWQSGLA-ZWKOTPCHSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@@]1(C)C[NH3+] ZINC000576688804 491635899 /nfs/dbraw/zinc/63/58/99/491635899.db2.gz FKSRWJCJTJZLBB-YYAJDYIMSA-N 2 0 365.522 0.603 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620522 491637202 /nfs/dbraw/zinc/63/72/02/491637202.db2.gz QMQLTJHLECXQRA-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577637703 491638943 /nfs/dbraw/zinc/63/89/43/491638943.db2.gz BGLCPDRTGFIYBS-AOIWGVFYSA-N 2 0 353.470 0.869 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000562001786 491646801 /nfs/dbraw/zinc/64/68/01/491646801.db2.gz PVBBCHSPRSCECH-ULQDDVLXSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576837914 491649190 /nfs/dbraw/zinc/64/91/90/491649190.db2.gz LPEJRUYSTMTROC-DOMZBBRYSA-N 2 0 356.426 0.878 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000569344320 491654049 /nfs/dbraw/zinc/65/40/49/491654049.db2.gz FPTUQPJUGYUYAC-IAGOWNOFSA-N 2 0 359.474 0.183 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000577851421 491656885 /nfs/dbraw/zinc/65/68/85/491656885.db2.gz BICWEEYFGOQTRY-JKSUJKDBSA-N 2 0 371.547 0.734 20 0 FCADRP CNC(=O)[C@H](NC(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943491 491658543 /nfs/dbraw/zinc/65/85/43/491658543.db2.gz KSGWFQLWKGSVGA-IEBWSBKVSA-N 2 0 358.486 0.911 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000577870879 491659448 /nfs/dbraw/zinc/65/94/48/491659448.db2.gz VLDHMPNIDGJKKE-HZPDHXFCSA-N 2 0 368.522 0.627 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2CC[NH2+]CC2)o1 ZINC000578427546 491677020 /nfs/dbraw/zinc/67/70/20/491677020.db2.gz ZFPHRBYWFJFPEY-UHFFFAOYSA-N 2 0 350.463 0.594 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000578497240 491678314 /nfs/dbraw/zinc/67/83/14/491678314.db2.gz IQKSYFWIOKCUJE-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000578503966 491678415 /nfs/dbraw/zinc/67/84/15/491678415.db2.gz TWOQPZQGOCJQDV-IBGZPJMESA-N 2 0 350.507 0.827 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000578549992 491679631 /nfs/dbraw/zinc/67/96/31/491679631.db2.gz KILHQLQUDRRAAN-INIZCTEOSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@]([NH3+])(C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000578608655 491680697 /nfs/dbraw/zinc/68/06/97/491680697.db2.gz CSQVWKKWMBTWRX-OAHLLOKOSA-N 2 0 369.263 0.171 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000579018010 491689303 /nfs/dbraw/zinc/68/93/03/491689303.db2.gz MLUZUOHOQHZUOP-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579106577 491690968 /nfs/dbraw/zinc/69/09/68/491690968.db2.gz XYDCPPYULKZSAD-MRXNPFEDSA-N 2 0 354.495 0.250 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000579187926 491692693 /nfs/dbraw/zinc/69/26/93/491692693.db2.gz WIKMNXLBHPLBLC-MRXNPFEDSA-N 2 0 353.511 0.620 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000579212961 491693037 /nfs/dbraw/zinc/69/30/37/491693037.db2.gz CHKDZBYCJJJUPI-HLLBOEOZSA-N 2 0 362.474 0.198 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccco1 ZINC000579333621 491695495 /nfs/dbraw/zinc/69/54/95/491695495.db2.gz QSUTZTCUYYQSBQ-LSDHHAIUSA-N 2 0 350.463 0.976 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000579392505 491697041 /nfs/dbraw/zinc/69/70/41/491697041.db2.gz CSLMTZQDJMBMTO-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)CC[NH2+]CC2 ZINC000579464475 491698262 /nfs/dbraw/zinc/69/82/62/491698262.db2.gz TYTYUPKNPUDETR-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000579461804 491698277 /nfs/dbraw/zinc/69/82/77/491698277.db2.gz XOGOCGLDRMUUEL-MRXNPFEDSA-N 2 0 362.474 0.626 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CC[NH2+]CC2 ZINC000579464472 491698333 /nfs/dbraw/zinc/69/83/33/491698333.db2.gz TYTYUPKNPUDETR-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000579571075 491700646 /nfs/dbraw/zinc/70/06/46/491700646.db2.gz WOANYCKYUUVTBM-AWEZNQCLSA-N 2 0 351.451 0.394 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590127 491701094 /nfs/dbraw/zinc/70/10/94/491701094.db2.gz KLWIMVAAWVSJPM-BZSNNMDCSA-N 2 0 371.485 0.476 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000579607390 491701427 /nfs/dbraw/zinc/70/14/27/491701427.db2.gz WEKDRAPBBJCHHV-BRWVUGGUSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(NCc1cn2ccccc2n1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000579691607 491702950 /nfs/dbraw/zinc/70/29/50/491702950.db2.gz SRPNCKQHVNBHNR-CYBMUJFWSA-N 2 0 370.379 0.970 20 0 FCADRP C[C@H](NCC1([NH3+])CCC1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000579843845 491706580 /nfs/dbraw/zinc/70/65/80/491706580.db2.gz XYSVRZDHXPIOGK-INIZCTEOSA-N 2 0 360.502 0.995 20 0 FCADRP C[C@@H](NCC1([NH3+])CCC1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000579843846 491706647 /nfs/dbraw/zinc/70/66/47/491706647.db2.gz XYSVRZDHXPIOGK-MRXNPFEDSA-N 2 0 360.502 0.995 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000584807888 491715393 /nfs/dbraw/zinc/71/53/93/491715393.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 2 0 368.566 0.291 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000580214759 491721878 /nfs/dbraw/zinc/72/18/78/491721878.db2.gz FCXWTXMBFMKKIE-OALUTQOASA-N 2 0 360.502 0.722 20 0 FCADRP CN(CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C[C@H](O)C[NH3+] ZINC000580451802 491731979 /nfs/dbraw/zinc/73/19/79/491731979.db2.gz JNVRERSBRVFEFC-LJQANCHMSA-N 2 0 370.497 0.735 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587100110 491734827 /nfs/dbraw/zinc/73/48/27/491734827.db2.gz OUUYWZDMRJSAAG-ZACQAIPSSA-N 2 0 365.522 0.855 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000580538438 491735072 /nfs/dbraw/zinc/73/50/72/491735072.db2.gz HFYRFJSLTAIHAC-TZMCWYRMSA-N 2 0 350.488 0.820 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000580710251 491742308 /nfs/dbraw/zinc/74/23/08/491742308.db2.gz XLHNCTOXXBKVOK-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(=O)Nc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000580812344 491746954 /nfs/dbraw/zinc/74/69/54/491746954.db2.gz ZASJOYLNKHRMAA-UHFFFAOYSA-N 2 0 363.462 0.535 20 0 FCADRP [NH3+]CCN(CCO)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000581012595 491755388 /nfs/dbraw/zinc/75/53/88/491755388.db2.gz ZNBHPOQWSTYYFV-QGZVFWFLSA-N 2 0 368.909 0.846 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000660532338 493360407 /nfs/dbraw/zinc/36/04/07/493360407.db2.gz HAKUDEIFFUGGAU-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)cc2)CC1 ZINC000581081104 491758585 /nfs/dbraw/zinc/75/85/85/491758585.db2.gz CSFJVPXMBWVOOE-OAQYLSRUSA-N 2 0 372.513 0.621 20 0 FCADRP CN(C[C@H](O)C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000581484715 491774694 /nfs/dbraw/zinc/77/46/94/491774694.db2.gz ZQZGSBNMLFLDLZ-OAHLLOKOSA-N 2 0 352.479 0.676 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581551118 491777508 /nfs/dbraw/zinc/77/75/08/491777508.db2.gz BJCFGEYZTPALMQ-AZUAARDMSA-N 2 0 371.529 0.703 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000581724378 491784268 /nfs/dbraw/zinc/78/42/68/491784268.db2.gz ZMZJJVOYUOWBOA-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000581839542 491787120 /nfs/dbraw/zinc/78/71/20/491787120.db2.gz LSOGUPFFAUHFSY-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C2)CC1 ZINC000582116413 491798581 /nfs/dbraw/zinc/79/85/81/491798581.db2.gz HVNYHLZVBPABCT-OWSLCNJRSA-N 2 0 362.518 0.763 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582122839 491798840 /nfs/dbraw/zinc/79/88/40/491798840.db2.gz GOBRPKBXEBUKSA-IAGOWNOFSA-N 2 0 374.485 0.488 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582231546 491803266 /nfs/dbraw/zinc/80/32/66/491803266.db2.gz NHOZSDSDIFSRJD-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000591411743 491804903 /nfs/dbraw/zinc/80/49/03/491804903.db2.gz INJWTPCSXLAGTE-OWCLPIDISA-N 2 0 351.495 0.500 20 0 FCADRP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582290630 491805934 /nfs/dbraw/zinc/80/59/34/491805934.db2.gz LWGDKROIYIMAQM-GJZGRUSLSA-N 2 0 351.495 0.370 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000591570723 491809108 /nfs/dbraw/zinc/80/91/08/491809108.db2.gz GLXQMNFECGOKFK-INIZCTEOSA-N 3 0 354.539 0.923 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCCC1 ZINC000582523025 491816099 /nfs/dbraw/zinc/81/60/99/491816099.db2.gz DKCLTGLFWBVXNX-CQSZACIVSA-N 2 0 362.478 0.689 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000582542435 491816706 /nfs/dbraw/zinc/81/67/06/491816706.db2.gz WPBVDMRANBWQQK-LSDHHAIUSA-N 2 0 366.893 0.643 20 0 FCADRP C[C@]([NH3+])(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000582547297 491817365 /nfs/dbraw/zinc/81/73/65/491817365.db2.gz AZKAGHHIYANVNB-FUHIMQAGSA-N 2 0 371.485 0.607 20 0 FCADRP C[NH+]1CC[C@@H](C(=O)N[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)Cc2ccccc2)C1 ZINC000582681549 491822475 /nfs/dbraw/zinc/82/24/75/491822475.db2.gz AYCDAYGQZAASJW-IPMKNSEASA-N 2 0 372.513 0.734 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000582783727 491826493 /nfs/dbraw/zinc/82/64/93/491826493.db2.gz SLPYMJDTZKGBAH-WFASDCNBSA-N 2 0 366.437 0.645 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852503 491829480 /nfs/dbraw/zinc/82/94/80/491829480.db2.gz DWJQHKJFSUJETQ-JKSUJKDBSA-N 2 0 370.538 0.552 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914924 491832348 /nfs/dbraw/zinc/83/23/48/491832348.db2.gz HNJWKQCLUHEDLR-RCCFBDPRSA-N 2 0 371.485 0.604 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000582935333 491833005 /nfs/dbraw/zinc/83/30/05/491833005.db2.gz JWWVARRDPKVRHI-UHFFFAOYSA-N 2 0 374.482 0.056 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000583371987 491843484 /nfs/dbraw/zinc/84/34/84/491843484.db2.gz WTIBLHPRWSSTIB-DOTOQJQBSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000583438992 491844867 /nfs/dbraw/zinc/84/48/67/491844867.db2.gz QUHIJCSQAQRHBJ-QGZVFWFLSA-N 2 0 358.446 0.508 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000583637172 491849233 /nfs/dbraw/zinc/84/92/33/491849233.db2.gz DPFLIGAFEABPRM-BLNMRFBMSA-N 2 0 351.495 0.462 20 0 FCADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000583637175 491849277 /nfs/dbraw/zinc/84/92/77/491849277.db2.gz DPFLIGAFEABPRM-YZDRTPDPSA-N 2 0 351.495 0.462 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000583897953 491854446 /nfs/dbraw/zinc/85/44/46/491854446.db2.gz TUOPTAJAVCRRRS-VYDXJSESSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(CC(F)F)C(=O)[C@@H]1CCC[NH+]1C ZINC000584003928 491856424 /nfs/dbraw/zinc/85/64/24/491856424.db2.gz ULZFZQHYPSPXEJ-IHRRRGAJSA-N 2 0 360.449 0.773 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000584048606 491857237 /nfs/dbraw/zinc/85/72/37/491857237.db2.gz YTLGJSCBIHDOMX-HNNXBMFYSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCN(c2ncccn2)CC1 ZINC000584295353 491862571 /nfs/dbraw/zinc/86/25/71/491862571.db2.gz ZTDLHAYRKUBPQS-LJQANCHMSA-N 2 0 358.490 0.591 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649022 491865064 /nfs/dbraw/zinc/86/50/64/491865064.db2.gz LYACCWURWLTPRT-RDTXWAMCSA-N 2 0 362.518 0.824 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000594871816 491869060 /nfs/dbraw/zinc/86/90/60/491869060.db2.gz GAEORKMDILNVQT-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000611757588 491872648 /nfs/dbraw/zinc/87/26/48/491872648.db2.gz GAZMMLHRQXFTEE-HOTGVXAUSA-N 2 0 350.507 0.990 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000600999674 491892057 /nfs/dbraw/zinc/89/20/57/491892057.db2.gz CTYHQECELFMQCS-KRWDZBQOSA-N 2 0 360.506 0.979 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)nn1C ZINC000601029139 491893974 /nfs/dbraw/zinc/89/39/74/491893974.db2.gz JTUKMXSOVSJUSW-AWEZNQCLSA-N 2 0 365.478 0.695 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271355 491909725 /nfs/dbraw/zinc/90/97/25/491909725.db2.gz QTQIAFXXOVLZDZ-QBPKDAKJSA-N 2 0 357.458 0.086 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612486497 491925265 /nfs/dbraw/zinc/92/52/65/491925265.db2.gz SECIZIGHWNIMKZ-QGZVFWFLSA-N 3 0 369.554 0.175 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000612546247 491932147 /nfs/dbraw/zinc/93/21/47/491932147.db2.gz QQRWUAKSUOSICF-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594283 491935993 /nfs/dbraw/zinc/93/59/93/491935993.db2.gz JBXXAAASMWCSCZ-QGZVFWFLSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612592183 491936140 /nfs/dbraw/zinc/93/61/40/491936140.db2.gz NSYYJDCVLJRVQF-JKSUJKDBSA-N 2 0 366.506 0.345 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612776357 491950159 /nfs/dbraw/zinc/95/01/59/491950159.db2.gz KFXFELJQNITOQS-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612780001 491950256 /nfs/dbraw/zinc/95/02/56/491950256.db2.gz CJWDPRULDILPMY-KRWDZBQOSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612919893 491958696 /nfs/dbraw/zinc/95/86/96/491958696.db2.gz ZSKJROLPRSCLSV-GDBMZVCRSA-N 2 0 361.494 0.446 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CC34CC[NH2+]CC4)ccn2)CC1 ZINC000612962655 491959779 /nfs/dbraw/zinc/95/97/79/491959779.db2.gz IJRDUEYNTGSCPY-INIZCTEOSA-N 2 0 358.490 0.775 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969772 491960304 /nfs/dbraw/zinc/96/03/04/491960304.db2.gz GEXGFUXHDNWZIU-HNNXBMFYSA-N 2 0 351.495 0.370 20 0 FCADRP CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000602255478 491973354 /nfs/dbraw/zinc/97/33/54/491973354.db2.gz QZNHHTCQTVBZBI-UHFFFAOYSA-N 2 0 374.482 0.898 20 0 FCADRP COC[C@@]1(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CCCC[NH2+]1 ZINC000602483441 491989131 /nfs/dbraw/zinc/98/91/31/491989131.db2.gz QUMIESMMSNEUOA-PKOBYXMFSA-N 2 0 352.523 0.772 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000596843672 492002271 /nfs/dbraw/zinc/00/22/71/492002271.db2.gz HSGZPHYTVWHYDF-HOTGVXAUSA-N 2 0 354.495 0.853 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000597226097 492023634 /nfs/dbraw/zinc/02/36/34/492023634.db2.gz QZZDPMPIOPIMCD-SJORKVTESA-N 2 0 365.522 0.855 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604640645 492066122 /nfs/dbraw/zinc/06/61/22/492066122.db2.gz YANWOBFUNJWUQU-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983449 492067494 /nfs/dbraw/zinc/06/74/94/492067494.db2.gz FQWPTXUNIYJCQI-DINLJIAVSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000615091031 492072512 /nfs/dbraw/zinc/07/25/12/492072512.db2.gz XONGMRMRCFZPFI-CVEARBPZSA-N 2 0 366.506 0.108 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000606663124 492126207 /nfs/dbraw/zinc/12/62/07/492126207.db2.gz ADAMUHBFONSRMD-MRXNPFEDSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@H](NC(=O)N1CCO[C@H](CN2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700704 492127270 /nfs/dbraw/zinc/12/72/70/492127270.db2.gz OXDLDLKBCXZXEO-FUHWJXTLSA-N 2 0 367.538 0.375 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)CC1 ZINC000607245339 492142129 /nfs/dbraw/zinc/14/21/29/492142129.db2.gz LDZGLVJVDVOZKR-QGZVFWFLSA-N 3 0 368.570 0.290 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000608328148 492172790 /nfs/dbraw/zinc/17/27/90/492172790.db2.gz JBUDFQSNESPOJX-UHFFFAOYSA-N 2 0 351.499 0.594 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2-n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647486358 492295019 /nfs/dbraw/zinc/29/50/19/492295019.db2.gz GXIUPKAYVLDSSJ-KRWDZBQOSA-N 2 0 354.458 0.911 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785239 492305768 /nfs/dbraw/zinc/30/57/68/492305768.db2.gz ZHUWFWFLMMLVKY-ZWKOTPCHSA-N 2 0 369.554 0.813 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826609 492311437 /nfs/dbraw/zinc/31/14/37/492311437.db2.gz OATZXMPUEFQRHT-QZTJIDSGSA-N 2 0 369.554 0.811 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627475183 492312986 /nfs/dbraw/zinc/31/29/86/492312986.db2.gz HCXAOIGGEUTCPC-MSOLQXFVSA-N 2 0 374.485 0.214 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840653 492316899 /nfs/dbraw/zinc/31/68/99/492316899.db2.gz ASBSKHWDSMHZTP-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647569035 492317235 /nfs/dbraw/zinc/31/72/35/492317235.db2.gz ZCODJGUXOINNAX-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627489215 492320211 /nfs/dbraw/zinc/32/02/11/492320211.db2.gz VIMIERHTIQWTSN-UHFFFAOYSA-N 2 0 370.538 0.827 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596992 492331903 /nfs/dbraw/zinc/33/19/03/492331903.db2.gz CINCZCYTBVBALW-AHCXZYCDSA-N 2 0 358.486 0.819 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642094918 492333834 /nfs/dbraw/zinc/33/38/34/492333834.db2.gz ROONYMSLJCJXOC-SQNIBIBYSA-N 2 0 358.486 0.486 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[NH2+]1 ZINC000642104410 492335131 /nfs/dbraw/zinc/33/51/31/492335131.db2.gz GINDXJPSMAQJIH-ZWKOTPCHSA-N 2 0 360.502 0.732 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCCCCC1 ZINC000642220479 492342569 /nfs/dbraw/zinc/34/25/69/492342569.db2.gz IHFSWWSSFWJNST-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000642220569 492342675 /nfs/dbraw/zinc/34/26/75/492342675.db2.gz NMFHBQIGPDDQPY-HUUCEWRRSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236410 492343602 /nfs/dbraw/zinc/34/36/02/492343602.db2.gz NAVWWXYTGBWMKE-JEWRLFTDSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCCN(C(=O)c2cccc(C(=O)N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000642255831 492345201 /nfs/dbraw/zinc/34/52/01/492345201.db2.gz DIFRAGAJXKNTSJ-UHFFFAOYSA-N 2 0 359.474 0.637 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000642255308 492345516 /nfs/dbraw/zinc/34/55/16/492345516.db2.gz JCTQVEXZDYXCEP-FMKPAKJESA-N 2 0 366.462 0.353 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642257987 492346492 /nfs/dbraw/zinc/34/64/92/492346492.db2.gz SMKTXFZPGFZQBP-IRXDYDNUSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000642262560 492346628 /nfs/dbraw/zinc/34/66/28/492346628.db2.gz BFWHTVFCBXIRDX-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000642322083 492350610 /nfs/dbraw/zinc/35/06/10/492350610.db2.gz HLUIGYNJDKPIFN-PBHICJAKSA-N 2 0 362.474 0.329 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000642330441 492352292 /nfs/dbraw/zinc/35/22/92/492352292.db2.gz JZGYRIFHHVVPQI-JJTUDDRGSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642330474 492352314 /nfs/dbraw/zinc/35/23/14/492352314.db2.gz LRTJBCNSVDWVOR-GASCZTMLSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437817 492357746 /nfs/dbraw/zinc/35/77/46/492357746.db2.gz CHZONMKWGHDVQK-BXUZGUMPSA-N 2 0 372.391 0.859 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703077 492360220 /nfs/dbraw/zinc/36/02/20/492360220.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 2 0 374.529 0.800 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000654856096 492361155 /nfs/dbraw/zinc/36/11/55/492361155.db2.gz QJVODXQQHOBWRY-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2 ZINC000634741862 492365552 /nfs/dbraw/zinc/36/55/52/492365552.db2.gz RIVZTVMBFIERRL-GTTSAUCSSA-N 2 0 354.405 0.822 20 0 FCADRP CNS(=O)(=O)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000621261884 492366560 /nfs/dbraw/zinc/36/65/60/492366560.db2.gz HVARCYRLKQRSOL-UHFFFAOYSA-N 2 0 360.568 0.664 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642640153 492368230 /nfs/dbraw/zinc/36/82/30/492368230.db2.gz AULBWZQXZQWDIO-IKGGRYGDSA-N 2 0 350.507 0.681 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642645419 492369736 /nfs/dbraw/zinc/36/97/36/492369736.db2.gz KBSYTBWUJUYBEE-OAGGEKHMSA-N 2 0 354.495 0.332 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642645038 492370279 /nfs/dbraw/zinc/37/02/79/492370279.db2.gz GCSAADZBWIDGIJ-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642686017 492373497 /nfs/dbraw/zinc/37/34/97/492373497.db2.gz BUIDVDYOXPDGHU-SJLPKXTDSA-N 2 0 374.485 0.454 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000642712280 492377205 /nfs/dbraw/zinc/37/72/05/492377205.db2.gz FKHZJFBIKIBOOA-QWHCGFSZSA-N 2 0 365.453 0.218 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729085 492382054 /nfs/dbraw/zinc/38/20/54/492382054.db2.gz DIUOYKZOJSIMRW-NVXWUHKLSA-N 2 0 358.486 0.881 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000642733000 492382348 /nfs/dbraw/zinc/38/23/48/492382348.db2.gz PHPGPFKHQOBVNA-ZWKOTPCHSA-N 2 0 374.485 0.516 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642732201 492382648 /nfs/dbraw/zinc/38/26/48/492382648.db2.gz YEXQVEHDSRCGQA-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732658 492382737 /nfs/dbraw/zinc/38/27/37/492382737.db2.gz HZRGEPVIIIZOEF-XUWVNRHRSA-N 2 0 354.495 0.045 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732655 492383166 /nfs/dbraw/zinc/38/31/66/492383166.db2.gz HZRGEPVIIIZOEF-FZKCQIBNSA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759536 492386735 /nfs/dbraw/zinc/38/67/35/492386735.db2.gz LLLDPJOXRNLFHO-NVXWUHKLSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000647971275 492389540 /nfs/dbraw/zinc/38/95/40/492389540.db2.gz HMEFVNUSWZRYRV-QGZVFWFLSA-N 2 0 374.485 0.886 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977116 492390789 /nfs/dbraw/zinc/39/07/89/492390789.db2.gz XYRXXKQNNADJPD-IRXDYDNUSA-N 2 0 350.507 0.827 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902476 492399309 /nfs/dbraw/zinc/39/93/09/492399309.db2.gz TXXVBJCVTLPOFU-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642908239 492401771 /nfs/dbraw/zinc/40/17/71/492401771.db2.gz MEIHWTYYWFOAPL-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000642910247 492402339 /nfs/dbraw/zinc/40/23/39/492402339.db2.gz BROIFVOSVZIQMQ-UAGQMJEPSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973142 492409360 /nfs/dbraw/zinc/40/93/60/492409360.db2.gz KDVBZUFAZXQTRY-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839153 492422546 /nfs/dbraw/zinc/42/25/46/492422546.db2.gz OMYRUIIECNBOPH-KXBFYZLASA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621840365 492423365 /nfs/dbraw/zinc/42/33/65/492423365.db2.gz HSGXAZJLCSWICN-OXJNMPFZSA-N 2 0 374.485 0.583 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845810 492426143 /nfs/dbraw/zinc/42/61/43/492426143.db2.gz PTEOCZKXXRJLHT-KXBFYZLASA-N 2 0 362.449 0.714 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000627980446 492432006 /nfs/dbraw/zinc/43/20/06/492432006.db2.gz IXDWZXFZQVCGCM-GOSISDBHSA-N 2 0 374.485 0.794 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233538 492433315 /nfs/dbraw/zinc/43/33/15/492433315.db2.gz VZICBUDFCZGAJN-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622014186 492440460 /nfs/dbraw/zinc/44/04/60/492440460.db2.gz ASDZHOHCYARHHN-HOCLYGCPSA-N 2 0 355.508 0.563 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622030561 492444803 /nfs/dbraw/zinc/44/48/03/492444803.db2.gz XPNUDVQOXNGFII-DNVCBOLYSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000635463340 492452834 /nfs/dbraw/zinc/45/28/34/492452834.db2.gz LBPRNBGOKNLLTR-ULQDDVLXSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552412 492456239 /nfs/dbraw/zinc/45/62/39/492456239.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 2 0 367.538 0.301 20 0 FCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643453480 492466488 /nfs/dbraw/zinc/46/64/88/492466488.db2.gz FAAFPNOAQZQWGA-WBVHZDCISA-N 2 0 354.520 0.112 20 0 FCADRP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551053 492468507 /nfs/dbraw/zinc/46/85/07/492468507.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 2 0 366.550 0.972 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000643483272 492476810 /nfs/dbraw/zinc/47/68/10/492476810.db2.gz DBNIETXEPGTBJH-WBVHZDCISA-N 2 0 366.506 0.286 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000643486913 492479125 /nfs/dbraw/zinc/47/91/25/492479125.db2.gz CZNZLIKKBXYDEU-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643494157 492481626 /nfs/dbraw/zinc/48/16/26/492481626.db2.gz MDPXARJHTATZNP-IRXDYDNUSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000643499468 492482928 /nfs/dbraw/zinc/48/29/28/492482928.db2.gz KDLJHODDEVLGAU-OKZBNKHCSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000643503514 492483791 /nfs/dbraw/zinc/48/37/91/492483791.db2.gz LNUYVVJIFPJITO-GOEBONIOSA-N 2 0 352.479 0.038 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643511189 492485285 /nfs/dbraw/zinc/48/52/85/492485285.db2.gz OSAJEVNOEFEQKK-DLBZAZTESA-N 2 0 368.522 0.261 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643511190 492485298 /nfs/dbraw/zinc/48/52/98/492485298.db2.gz OSAJEVNOEFEQKK-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531756 492490761 /nfs/dbraw/zinc/49/07/61/492490761.db2.gz GHAMHPKMZARPDJ-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532538 492493118 /nfs/dbraw/zinc/49/31/18/492493118.db2.gz TYPJCXCTJYDZCC-FCGDIQPGSA-N 2 0 370.497 0.882 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643549936 492498104 /nfs/dbraw/zinc/49/81/04/492498104.db2.gz BVIUXGKLUJQYKL-OXXUSNJHSA-N 2 0 374.460 0.631 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549857 492498186 /nfs/dbraw/zinc/49/81/86/492498186.db2.gz WRWRUWNUNHJHQV-BURFUSLBSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643553571 492499067 /nfs/dbraw/zinc/49/90/67/492499067.db2.gz INEIDUQQYOZYNY-IAGOWNOFSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970269 492499980 /nfs/dbraw/zinc/49/99/80/492499980.db2.gz GTTQZQPHAKHNSP-WCXIOVBPSA-N 2 0 353.511 0.173 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643576771 492500024 /nfs/dbraw/zinc/50/00/24/492500024.db2.gz SVSIZRFCCCTLAP-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635749037 492500446 /nfs/dbraw/zinc/50/04/46/492500446.db2.gz IBDNKALOXSTIDQ-ZWKOTPCHSA-N 2 0 366.550 0.829 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)C(C)(C)C[NH+]2CCOCC2)ccn1 ZINC000635747124 492500794 /nfs/dbraw/zinc/50/07/94/492500794.db2.gz PQEGDKLSAJMLAC-UHFFFAOYSA-N 2 0 364.490 0.997 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643590318 492501919 /nfs/dbraw/zinc/50/19/19/492501919.db2.gz OHWVFFNSHNVNBH-NVXWUHKLSA-N 2 0 362.474 0.770 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC(=O)NC1CCCC1 ZINC000649275145 492517508 /nfs/dbraw/zinc/51/75/08/492517508.db2.gz HZYTYULSQMFQKM-SFHVURJKSA-N 2 0 369.469 0.976 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCOC[C@H]1CCOC1 ZINC000649275135 492517884 /nfs/dbraw/zinc/51/78/84/492517884.db2.gz GUZFSRKOASZISN-HKUYNNGSSA-N 2 0 372.469 0.971 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649318517 492530573 /nfs/dbraw/zinc/53/05/73/492530573.db2.gz RGHRKKWFQBMTBD-QGZVFWFLSA-N 2 0 358.486 0.542 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649318516 492531264 /nfs/dbraw/zinc/53/12/64/492531264.db2.gz RGHRKKWFQBMTBD-KRWDZBQOSA-N 2 0 358.486 0.542 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cnn1C ZINC000649324340 492533017 /nfs/dbraw/zinc/53/30/17/492533017.db2.gz FJZDAZFSYCUBNY-CVEARBPZSA-N 2 0 351.414 1.251 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649328322 492535777 /nfs/dbraw/zinc/53/57/77/492535777.db2.gz OQHFVSCRFXPCLQ-OAHLLOKOSA-N 2 0 354.495 0.332 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649333733 492536800 /nfs/dbraw/zinc/53/68/00/492536800.db2.gz SUAKJXPZNJKOMH-OAHLLOKOSA-N 2 0 362.478 0.577 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)[C@@H](C)C1 ZINC000649340834 492538501 /nfs/dbraw/zinc/53/85/01/492538501.db2.gz YQVZKCQIUQHWIK-NXNVCVFFSA-N 2 0 364.494 0.169 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC000649352918 492546181 /nfs/dbraw/zinc/54/61/81/492546181.db2.gz UIWWDNBEVKEDOH-KRWDZBQOSA-N 2 0 360.506 0.200 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)cn2)CC1 ZINC000643774208 492554457 /nfs/dbraw/zinc/55/44/57/492554457.db2.gz QHUPMFGTVCUXKA-CQSZACIVSA-N 2 0 356.434 0.212 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@@H]2C[NH2+]C[C@H]2OC)nn1 ZINC000643779515 492555974 /nfs/dbraw/zinc/55/59/74/492555974.db2.gz FJSWABXZUZOPJQ-PNBKFKSVSA-N 2 0 362.478 0.065 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)nn1 ZINC000643801109 492565285 /nfs/dbraw/zinc/56/52/85/492565285.db2.gz AQWMWNZDSVZCSV-CGTJXYLNSA-N 2 0 370.457 0.153 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000656256656 492567159 /nfs/dbraw/zinc/56/71/59/492567159.db2.gz ZFVPQXMOMVZSAP-QGZVFWFLSA-N 2 0 364.494 0.226 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCSC1 ZINC000656299370 492576914 /nfs/dbraw/zinc/57/69/14/492576914.db2.gz RGVHJKHMBUNZJP-MPGHIAIKSA-N 2 0 368.547 0.673 20 0 FCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000649763702 492581548 /nfs/dbraw/zinc/58/15/48/492581548.db2.gz AAWOHDVOXAHYTB-HZPDHXFCSA-N 2 0 353.488 0.474 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354530 492609074 /nfs/dbraw/zinc/60/90/74/492609074.db2.gz GIMVHQXIYKJHDO-IAGOWNOFSA-N 3 0 367.538 0.071 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656355409 492610546 /nfs/dbraw/zinc/61/05/46/492610546.db2.gz KSSCCSLICIZEHL-WCXIOVBPSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH2+]Cc1ccn(Cc2cn(C[C@H]3C[N@H+](CC(C)C)CCO3)nn2)n1 ZINC000656448153 492623281 /nfs/dbraw/zinc/62/32/81/492623281.db2.gz GXZNLMYILXTZHS-GOSISDBHSA-N 2 0 361.494 0.989 20 0 FCADRP C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624228641 492628945 /nfs/dbraw/zinc/62/89/45/492628945.db2.gz XWLNHMUXFLBTDQ-WMLDXEAASA-N 2 0 353.488 0.944 20 0 FCADRP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC000650399928 492638443 /nfs/dbraw/zinc/63/84/43/492638443.db2.gz GKJIDUKDTKHNBT-USTZCAOPSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636632968 492645008 /nfs/dbraw/zinc/64/50/08/492645008.db2.gz HQNQYYNCDZLFCI-XHSDSOJGSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CCOCC[NH3+] ZINC000629579045 492655443 /nfs/dbraw/zinc/65/54/43/492655443.db2.gz IGPMRXZSWVQUQX-CQSZACIVSA-N 2 0 351.447 0.412 20 0 FCADRP NC(=O)C1CC[NH+](Cc2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629579483 492656445 /nfs/dbraw/zinc/65/64/45/492656445.db2.gz DJYQYDLIFBHMGF-FQEVSTJZSA-N 2 0 374.529 0.930 20 0 FCADRP C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000624615018 492667016 /nfs/dbraw/zinc/66/70/16/492667016.db2.gz JJRSNJXEKCPCJB-QGZVFWFLSA-N 2 0 365.522 0.668 20 0 FCADRP COCCOCCN1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000650812344 492669600 /nfs/dbraw/zinc/66/96/00/492669600.db2.gz CBZAHCQJPRXCCR-UHFFFAOYSA-N 2 0 372.510 0.087 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000629802630 492679730 /nfs/dbraw/zinc/67/97/30/492679730.db2.gz WDDQSIJCZRKUKG-UHFFFAOYSA-N 2 0 368.522 0.535 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636747481 492680999 /nfs/dbraw/zinc/68/09/99/492680999.db2.gz PLRCCZFOSFQAKP-OAHLLOKOSA-N 2 0 363.510 0.907 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)CCCC2)CC1 ZINC000636748760 492681144 /nfs/dbraw/zinc/68/11/44/492681144.db2.gz BRMRNQAFXQLKRM-INIZCTEOSA-N 2 0 368.522 0.776 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624787025 492684272 /nfs/dbraw/zinc/68/42/72/492684272.db2.gz OLALZXBITBMCMD-HOCLYGCPSA-N 2 0 351.495 0.765 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000629811176 492684428 /nfs/dbraw/zinc/68/44/28/492684428.db2.gz FJFDIWNHPXDTOQ-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP COCCOCCN1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000651142479 492714257 /nfs/dbraw/zinc/71/42/57/492714257.db2.gz MYPQEVKZECLEMZ-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP CCN1C[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000651313488 492740294 /nfs/dbraw/zinc/74/02/94/492740294.db2.gz DFIOQUNFEWWIPL-WBVHZDCISA-N 2 0 365.522 0.665 20 0 FCADRP CCN1C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317228 492741745 /nfs/dbraw/zinc/74/17/45/492741745.db2.gz GQEKPYFKOVXHMJ-SJORKVTESA-N 2 0 367.538 0.912 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000630635312 492757877 /nfs/dbraw/zinc/75/78/77/492757877.db2.gz CCMQXFQGHKDCNS-UHFFFAOYSA-N 2 0 371.489 0.522 20 0 FCADRP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000630796082 492775441 /nfs/dbraw/zinc/77/54/41/492775441.db2.gz LDQXATYRVHOFIR-TVFCKZIOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610943 492791276 /nfs/dbraw/zinc/79/12/76/492791276.db2.gz AEFGFURJCAYXJY-JZXOWHBKSA-N 2 0 366.506 0.582 20 0 FCADRP Cc1ncc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000637229455 492794451 /nfs/dbraw/zinc/79/44/51/492794451.db2.gz QVZBRIKACUIVNV-LBPRGKRZSA-N 2 0 355.508 0.581 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196439 492803310 /nfs/dbraw/zinc/80/33/10/492803310.db2.gz RPXUIEHEXGQRCU-WBVHZDCISA-N 2 0 356.470 0.942 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870637 492806216 /nfs/dbraw/zinc/80/62/16/492806216.db2.gz OWCDFNYTTSKBDC-KRWDZBQOSA-N 2 0 373.501 0.921 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870151 492806528 /nfs/dbraw/zinc/80/65/28/492806528.db2.gz DTOHBBSFPHXJCO-UHFFFAOYSA-N 2 0 359.474 0.673 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000657874137 492807367 /nfs/dbraw/zinc/80/73/67/492807367.db2.gz OTDVCIUSTFTLRS-SFHVURJKSA-N 2 0 371.485 0.817 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000631562418 492824491 /nfs/dbraw/zinc/82/44/91/492824491.db2.gz DQYVNVQLNFKVPD-FQEVSTJZSA-N 2 0 371.485 0.812 20 0 FCADRP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844997 492861301 /nfs/dbraw/zinc/86/13/01/492861301.db2.gz RDGWWXGPLOARGU-RDTXWAMCSA-N 2 0 354.458 0.957 20 0 FCADRP CC(=O)N1CCc2sc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2C1 ZINC000658381506 492868763 /nfs/dbraw/zinc/86/87/63/492868763.db2.gz RWLYKYUXAWSADZ-UHFFFAOYSA-N 2 0 374.532 0.341 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000631906881 492874875 /nfs/dbraw/zinc/87/48/75/492874875.db2.gz YBCVFOVEPMFSSQ-UHFFFAOYSA-N 2 0 360.568 0.856 20 0 FCADRP CC[NH+](CC)CCN(CCOC)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917888 492883410 /nfs/dbraw/zinc/88/34/10/492883410.db2.gz QQLREGKJZRQSBT-UHFFFAOYSA-N 2 0 350.529 0.205 20 0 FCADRP CCCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000645296017 492889309 /nfs/dbraw/zinc/88/93/09/492889309.db2.gz CBRNNHJWFQOQJK-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000631938839 492893047 /nfs/dbraw/zinc/89/30/47/492893047.db2.gz NLDQCYUTMOEAPU-KRWDZBQOSA-N 2 0 358.552 0.275 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCCN3CC[NH2+]CC3)C2)C1 ZINC000652200923 492894495 /nfs/dbraw/zinc/89/44/95/492894495.db2.gz OEOOJTDAPOSVKC-BBWFWOEESA-N 2 0 353.511 0.210 20 0 FCADRP C[C@H]1CC2(CN1S(=O)(=O)CCCN1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000631947112 492895069 /nfs/dbraw/zinc/89/50/69/492895069.db2.gz UYQIXMUBEQMJJJ-INIZCTEOSA-N 2 0 358.552 0.418 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000631948862 492896044 /nfs/dbraw/zinc/89/60/44/492896044.db2.gz RNYOSQPINQIWFZ-UHFFFAOYSA-N 2 0 358.483 0.341 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000638064139 492900097 /nfs/dbraw/zinc/90/00/97/492900097.db2.gz RWJOQKJFMHSOKD-IAGOWNOFSA-N 2 0 360.502 0.817 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)nn1 ZINC000652268567 492902912 /nfs/dbraw/zinc/90/29/12/492902912.db2.gz CEPDBLMTGAWSEK-HNNXBMFYSA-N 2 0 361.425 0.881 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000638091235 492903804 /nfs/dbraw/zinc/90/38/04/492903804.db2.gz RSBPFLBKBLZDCN-DWRORGKVSA-N 2 0 352.523 0.770 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000638099072 492904423 /nfs/dbraw/zinc/90/44/23/492904423.db2.gz FHAZIJXRKIESGL-UHFFFAOYSA-N 2 0 359.518 0.168 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638108111 492907784 /nfs/dbraw/zinc/90/77/84/492907784.db2.gz LAHGQKPNDJNNBX-QFBILLFUSA-N 2 0 362.474 0.361 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000638132726 492913646 /nfs/dbraw/zinc/91/36/46/492913646.db2.gz SFKVTTVPXBDFQF-DNVCBOLYSA-N 2 0 368.522 0.496 20 0 FCADRP Cn1nnc2cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000645517255 492919453 /nfs/dbraw/zinc/91/94/53/492919453.db2.gz JLCZVDGLXUFNII-UHFFFAOYSA-N 2 0 354.480 0.082 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000652390336 492922539 /nfs/dbraw/zinc/92/25/39/492922539.db2.gz JKJNKJNYNYEXPJ-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632126882 492935311 /nfs/dbraw/zinc/93/53/11/492935311.db2.gz FZTNNIHXNKCYRT-GOSISDBHSA-N 2 0 374.595 0.911 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000638342815 492938356 /nfs/dbraw/zinc/93/83/56/492938356.db2.gz RHVCEBLPZYWTTC-OAHLLOKOSA-N 2 0 350.467 0.259 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000632160822 492940704 /nfs/dbraw/zinc/94/07/04/492940704.db2.gz LEQLKBPHDPKQGX-QZTJIDSGSA-N 2 0 372.579 0.760 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000638415466 492944751 /nfs/dbraw/zinc/94/47/51/492944751.db2.gz ZFWGAPUHDTXBRE-INIZCTEOSA-N 2 0 350.463 0.043 20 0 FCADRP C[C@@H](CCNS(=O)(=O)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000632204004 492950396 /nfs/dbraw/zinc/95/03/96/492950396.db2.gz CCSQGOHZVBCYRF-KRWDZBQOSA-N 2 0 360.568 0.808 20 0 FCADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638480832 492952753 /nfs/dbraw/zinc/95/27/53/492952753.db2.gz BBNPOKLVAHBURE-INIZCTEOSA-N 2 0 368.503 0.366 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638560398 492960944 /nfs/dbraw/zinc/96/09/44/492960944.db2.gz TWSRUDDPJCGGME-UTUOFQBUSA-N 2 0 350.385 0.230 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000632280316 492963267 /nfs/dbraw/zinc/96/32/67/492963267.db2.gz YPCSNTCOVSDDAV-QGZVFWFLSA-N 2 0 358.552 0.560 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786895 492974946 /nfs/dbraw/zinc/97/49/46/492974946.db2.gz IDWGFJFOAFNNEB-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000645781530 492975196 /nfs/dbraw/zinc/97/51/96/492975196.db2.gz VWVRLQIQYRBTPS-MAUKXSAKSA-N 2 0 358.486 0.808 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC000638855556 492982317 /nfs/dbraw/zinc/98/23/17/492982317.db2.gz DSLHVMCFASRSBF-FUHWJXTLSA-N 2 0 358.486 0.758 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652666889 492982407 /nfs/dbraw/zinc/98/24/07/492982407.db2.gz WQLOEAZCCMQIFA-GOSISDBHSA-N 2 0 360.502 0.781 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903949 492985776 /nfs/dbraw/zinc/98/57/76/492985776.db2.gz JGDQJSSBMOPPAU-SJLPKXTDSA-N 2 0 369.473 0.817 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)C1 ZINC000652677315 492986645 /nfs/dbraw/zinc/98/66/45/492986645.db2.gz XRPQTSHSPZDFDY-ANQUJSFKSA-N 2 0 364.490 0.084 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652680924 492987984 /nfs/dbraw/zinc/98/79/84/492987984.db2.gz VIOPHWIOPUBSFK-BBWFWOEESA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H](C(=O)N(C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)n1cccn1 ZINC000638986649 492990386 /nfs/dbraw/zinc/99/03/86/492990386.db2.gz WSAHZCNSAJKJOY-AWEZNQCLSA-N 2 0 371.445 0.346 20 0 FCADRP CC(C)CS(=O)(=O)CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987855 492990647 /nfs/dbraw/zinc/99/06/47/492990647.db2.gz LQVOHJSDIQRRIQ-UHFFFAOYSA-N 2 0 354.476 0.891 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693220 492991875 /nfs/dbraw/zinc/99/18/75/492991875.db2.gz PPEBSOJPAZSLQL-ULQDDVLXSA-N 2 0 368.522 0.579 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003163 492998807 /nfs/dbraw/zinc/99/88/07/492998807.db2.gz VCVINLINPWAVDG-QZTJIDSGSA-N 2 0 360.506 0.660 20 0 FCADRP CO[C@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCOCC1 ZINC000639262610 493002958 /nfs/dbraw/zinc/00/29/58/493002958.db2.gz ZQXHZZSVPCAVRX-GOSISDBHSA-N 2 0 355.523 0.814 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652737499 493014347 /nfs/dbraw/zinc/01/43/47/493014347.db2.gz LXSIOIZSEMABLH-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000632539429 493024529 /nfs/dbraw/zinc/02/45/29/493024529.db2.gz HNHJEKAVZVNPQF-DLBZAZTESA-N 2 0 358.552 0.560 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1CC[NH+](C)CC1 ZINC000626817372 493025606 /nfs/dbraw/zinc/02/56/06/493025606.db2.gz UFJDHYOUYIOWHZ-CYBMUJFWSA-N 2 0 360.458 0.954 20 0 FCADRP COc1ccc([C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1OC ZINC000626920550 493063301 /nfs/dbraw/zinc/06/33/01/493063301.db2.gz DROFBERNEHRWDW-GJZGRUSLSA-N 2 0 366.462 0.594 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000626970675 493072248 /nfs/dbraw/zinc/07/22/48/493072248.db2.gz SRCHJTFXBDFIRT-MRXNPFEDSA-N 2 0 350.463 0.457 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115087 493073178 /nfs/dbraw/zinc/07/31/78/493073178.db2.gz CBHFQZBVPFIANI-WBVHZDCISA-N 2 0 361.490 0.601 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000653117884 493073801 /nfs/dbraw/zinc/07/38/01/493073801.db2.gz YLBMQWYWVWGRAR-IBGZPJMESA-N 2 0 361.534 0.542 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626980307 493074133 /nfs/dbraw/zinc/07/41/33/493074133.db2.gz QNTRRZPSQBGULB-IAGOWNOFSA-N 2 0 353.511 0.032 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653124563 493074773 /nfs/dbraw/zinc/07/47/73/493074773.db2.gz ACTBWAVVSBPVCX-QGZVFWFLSA-N 2 0 360.506 0.885 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000626996293 493077585 /nfs/dbraw/zinc/07/75/85/493077585.db2.gz OICDUPXQKYTSEC-INIZCTEOSA-N 2 0 354.495 0.557 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1=O ZINC000653183287 493081964 /nfs/dbraw/zinc/08/19/64/493081964.db2.gz BYEZCILLXSBPSZ-YLFCFFPRSA-N 2 0 366.506 0.141 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[C@@H]1C(F)(F)F ZINC000627044511 493084867 /nfs/dbraw/zinc/08/48/67/493084867.db2.gz NEJGPHAWGLEIBI-OLZOCXBDSA-N 2 0 352.401 0.877 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000627064809 493085523 /nfs/dbraw/zinc/08/55/23/493085523.db2.gz XDJVTSVRCCSMQT-CHWSQXEVSA-N 2 0 351.417 0.450 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H]1c1ccccc1 ZINC000627234389 493114082 /nfs/dbraw/zinc/11/40/82/493114082.db2.gz IBEZIKQFAJLGHC-NJAFHUGGSA-N 2 0 369.473 0.696 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633103395 493127227 /nfs/dbraw/zinc/12/72/27/493127227.db2.gz RHCATSFWIFYDSS-GASCZTMLSA-N 2 0 350.488 0.601 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104667 493127997 /nfs/dbraw/zinc/12/79/97/493127997.db2.gz HCSJRYLXBFIQBB-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000633117755 493133103 /nfs/dbraw/zinc/13/31/03/493133103.db2.gz FZMJRGKNUIBECO-NJAFHUGGSA-N 2 0 358.486 0.710 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000633117754 493133298 /nfs/dbraw/zinc/13/32/98/493133298.db2.gz FZMJRGKNUIBECO-KBAYOESNSA-N 2 0 358.486 0.710 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000633143520 493135929 /nfs/dbraw/zinc/13/59/29/493135929.db2.gz MJVAQLDGZXKWOE-NVXWUHKLSA-N 2 0 366.506 0.286 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000627292505 493136486 /nfs/dbraw/zinc/13/64/86/493136486.db2.gz WJLONDCHQKCIGG-KRWDZBQOSA-N 2 0 362.474 0.373 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627303121 493142306 /nfs/dbraw/zinc/14/23/06/493142306.db2.gz HYHBEAWIHRVILG-QZTJIDSGSA-N 2 0 374.485 0.119 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000627304079 493143155 /nfs/dbraw/zinc/14/31/55/493143155.db2.gz LCNAPSMUCSOZIH-UHFFFAOYSA-N 2 0 362.474 0.585 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000627305010 493143367 /nfs/dbraw/zinc/14/33/67/493143367.db2.gz LJDYWHOHZBYVRZ-YVECIDJPSA-N 2 0 364.412 0.571 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627310685 493146036 /nfs/dbraw/zinc/14/60/36/493146036.db2.gz ZLLOUAQHYJIUDY-QGZVFWFLSA-N 2 0 362.474 0.249 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312230 493146675 /nfs/dbraw/zinc/14/66/75/493146675.db2.gz TVYVPSASFXOCTF-WBVHZDCISA-N 2 0 362.474 0.372 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659095311 493149715 /nfs/dbraw/zinc/14/97/15/493149715.db2.gz BOURKCSBZIYYTA-ZIAGYGMSSA-N 2 0 359.474 0.825 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000627331993 493157120 /nfs/dbraw/zinc/15/71/20/493157120.db2.gz NVOSBHLCTCYSRU-ZWKOTPCHSA-N 2 0 374.485 0.353 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc2)CC1 ZINC000659113767 493160039 /nfs/dbraw/zinc/16/00/39/493160039.db2.gz HAQUKUFHKIRHCH-OAHLLOKOSA-N 2 0 361.490 0.487 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)c1 ZINC000659113137 493160294 /nfs/dbraw/zinc/16/02/94/493160294.db2.gz UJIVYMUQGWHBPW-ZDUSSCGKSA-N 2 0 363.462 0.630 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000659113652 493160463 /nfs/dbraw/zinc/16/04/63/493160463.db2.gz XLSOXOHUZKHCSH-OAHLLOKOSA-N 2 0 373.501 0.881 20 0 FCADRP CCC[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000647091726 493161440 /nfs/dbraw/zinc/16/14/40/493161440.db2.gz FEEYVZQSTBJTDV-ARFHVFGLSA-N 2 0 351.495 0.463 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091853 493162322 /nfs/dbraw/zinc/16/23/22/493162322.db2.gz QUKDIIDFQWCOBO-YESZJQIVSA-N 2 0 363.506 0.608 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cc(CC[NH3+])nn2)CC1 ZINC000641030511 493162946 /nfs/dbraw/zinc/16/29/46/493162946.db2.gz XUPKMWGAGPVUQI-UHFFFAOYSA-N 2 0 356.474 0.822 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627342896 493163420 /nfs/dbraw/zinc/16/34/20/493163420.db2.gz SGSIESYVMAJTPG-DOTOQJQBSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CN(C)CCC[NH3+])nn2)CC1 ZINC000641046865 493164714 /nfs/dbraw/zinc/16/47/14/493164714.db2.gz HGIBFJIILDTTQY-UHFFFAOYSA-N 2 0 351.499 0.048 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000627357619 493174006 /nfs/dbraw/zinc/17/40/06/493174006.db2.gz LCJXMQGDOPNWNB-QZTJIDSGSA-N 2 0 374.485 0.044 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000659434686 493176356 /nfs/dbraw/zinc/17/63/56/493176356.db2.gz PQOUMMSUXGIRQI-LBPRGKRZSA-N 2 0 350.448 0.805 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659432590 493176732 /nfs/dbraw/zinc/17/67/32/493176732.db2.gz DRAXVIMMILKOHP-UHFFFAOYSA-N 2 0 374.445 0.581 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627365081 493180328 /nfs/dbraw/zinc/18/03/28/493180328.db2.gz FFQWCWVMALPWID-WCQYABFASA-N 2 0 364.412 0.573 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659451497 493181857 /nfs/dbraw/zinc/18/18/57/493181857.db2.gz FMJKIKPXFDTUTD-PBHICJAKSA-N 2 0 361.490 0.791 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000659476377 493190266 /nfs/dbraw/zinc/19/02/66/493190266.db2.gz AROUPTIGIDZSSS-UHFFFAOYSA-N 2 0 371.445 0.752 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627402217 493204342 /nfs/dbraw/zinc/20/43/42/493204342.db2.gz XRTYFMBVKSEZSU-ROUUACIJSA-N 2 0 358.486 0.834 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659611979 493220692 /nfs/dbraw/zinc/22/06/92/493220692.db2.gz UVMIHAGXESCJQO-IKGGRYGDSA-N 2 0 365.522 0.761 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000659627461 493222776 /nfs/dbraw/zinc/22/27/76/493222776.db2.gz VEHMWZLOVJLWPO-GOEBONIOSA-N 2 0 351.495 0.370 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000672697707 493235509 /nfs/dbraw/zinc/23/55/09/493235509.db2.gz WVOQZXNGEYNCHQ-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000666924833 493237763 /nfs/dbraw/zinc/23/77/63/493237763.db2.gz MBERRTQUPJMIGP-CVEARBPZSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000659678411 493247483 /nfs/dbraw/zinc/24/74/83/493247483.db2.gz MDUHPLNMBXYWLB-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000667060360 493255925 /nfs/dbraw/zinc/25/59/25/493255925.db2.gz OOEVAELJLJQCPU-ZDUSSCGKSA-N 2 0 369.491 0.482 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854797 493259025 /nfs/dbraw/zinc/25/90/25/493259025.db2.gz KWXQBURMNOILTM-MRXNPFEDSA-N 2 0 367.538 0.118 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659711972 493267686 /nfs/dbraw/zinc/26/76/86/493267686.db2.gz DWGDMXIECJTUDV-UHFFFAOYSA-N 2 0 361.490 0.526 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659712070 493267743 /nfs/dbraw/zinc/26/77/43/493267743.db2.gz CRJXEPZCPZRRPW-SFHVURJKSA-N 2 0 373.501 0.668 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000667240023 493267872 /nfs/dbraw/zinc/26/78/72/493267872.db2.gz IZDYIYOVFFYCPL-UHFFFAOYSA-N 2 0 362.474 0.990 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718564 493270196 /nfs/dbraw/zinc/27/01/96/493270196.db2.gz RGGHYFIEBBDOAV-CJNGLKHVSA-N 2 0 366.506 0.454 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957660 493270476 /nfs/dbraw/zinc/27/04/76/493270476.db2.gz UTIDFMUHXJDFRD-IRXDYDNUSA-N 2 0 368.522 0.462 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000641658787 493271030 /nfs/dbraw/zinc/27/10/30/493271030.db2.gz IRVAOEGCNKTPKN-QWHCGFSZSA-N 2 0 351.417 0.606 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659728506 493275264 /nfs/dbraw/zinc/27/52/64/493275264.db2.gz JSVHEIFWGUNURH-YJBOKZPZSA-N 2 0 373.501 0.606 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659729352 493275883 /nfs/dbraw/zinc/27/58/83/493275883.db2.gz QZLQMFDPYXOBTA-CABCVRRESA-N 2 0 361.490 0.652 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CC[NH+](C)CC1 ZINC000682193435 493276730 /nfs/dbraw/zinc/27/67/30/493276730.db2.gz UKPXRJCJZMWHKG-CYBMUJFWSA-N 2 0 350.467 0.230 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000659733854 493278177 /nfs/dbraw/zinc/27/81/77/493278177.db2.gz XJFSVVVGUCZRFU-HDICACEKSA-N 2 0 370.497 0.965 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000659735036 493278692 /nfs/dbraw/zinc/27/86/92/493278692.db2.gz CITSUUIHWWZHSS-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659739285 493280503 /nfs/dbraw/zinc/28/05/03/493280503.db2.gz QHMSZYYUYLEBPA-BPUTZDHNSA-N 2 0 352.479 0.084 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000667399658 493282506 /nfs/dbraw/zinc/28/25/06/493282506.db2.gz JZRHHOMFHDKQDZ-MAUKXSAKSA-N 2 0 374.485 0.838 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000659756834 493287041 /nfs/dbraw/zinc/28/70/41/493287041.db2.gz VNHVTEKCXDCFBA-CQSZACIVSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000667538627 493289194 /nfs/dbraw/zinc/28/91/94/493289194.db2.gz JAHPPAHRWYBURO-WMLDXEAASA-N 2 0 360.458 0.776 20 0 FCADRP CN1C(=O)CC[C@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680519 493295910 /nfs/dbraw/zinc/29/59/10/493295910.db2.gz JCYPJKDJUOTZKQ-KRWDZBQOSA-N 2 0 359.474 0.721 20 0 FCADRP CCc1nc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1CC1CC1 ZINC000659905294 493300393 /nfs/dbraw/zinc/30/03/93/493300393.db2.gz QNVWGVQUTCCUKV-UHFFFAOYSA-N 2 0 371.551 0.969 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660055082 493320276 /nfs/dbraw/zinc/32/02/76/493320276.db2.gz CEAPBTJQLGOZRM-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000668526238 493371188 /nfs/dbraw/zinc/37/11/88/493371188.db2.gz BQXKZIIPNZGZRU-DYVFJYSZSA-N 2 0 356.536 0.529 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668548018 493374217 /nfs/dbraw/zinc/37/42/17/493374217.db2.gz DFWIQYPRCJBVSH-HOTGVXAUSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668548836 493374985 /nfs/dbraw/zinc/37/49/85/493374985.db2.gz PONPXMVGSXGZSO-QGZVFWFLSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1C1CC1 ZINC000683870196 493375656 /nfs/dbraw/zinc/37/56/56/493375656.db2.gz DUODDMBHRSQBBA-KGLIPLIRSA-N 2 0 374.489 0.830 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000683877994 493376013 /nfs/dbraw/zinc/37/60/13/493376013.db2.gz YDYRICJSYDMWJW-IYBDPMFKSA-N 2 0 374.485 0.976 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000668584451 493379449 /nfs/dbraw/zinc/37/94/49/493379449.db2.gz CULXDOTYPZZEPT-ULQDDVLXSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585542 493380303 /nfs/dbraw/zinc/38/03/03/493380303.db2.gz PPDZMJIJHARBRY-IKGGRYGDSA-N 2 0 364.490 0.099 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864237 493389098 /nfs/dbraw/zinc/38/90/98/493389098.db2.gz LXWMCYOBNBFBOL-IAGOWNOFSA-N 2 0 367.538 0.565 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000661082805 493407561 /nfs/dbraw/zinc/40/75/61/493407561.db2.gz DEXIJEWFHUPRQP-GOSISDBHSA-N 2 0 353.507 0.744 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668777298 493408812 /nfs/dbraw/zinc/40/88/12/493408812.db2.gz USJRVBBIALVYSU-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668827076 493416954 /nfs/dbraw/zinc/41/69/54/493416954.db2.gz PPTQCVCSJGFEAX-WBVHZDCISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306593 493473511 /nfs/dbraw/zinc/47/35/11/493473511.db2.gz GXJSTRIOCWUWLQ-PBHICJAKSA-N 2 0 357.458 0.329 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000661988721 493480978 /nfs/dbraw/zinc/48/09/78/493480978.db2.gz ZOJCDASDFAQMFZ-QGZVFWFLSA-N 2 0 368.522 0.992 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685520297 493501146 /nfs/dbraw/zinc/50/11/46/493501146.db2.gz BTBFFMVCADNXAV-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295937 493504320 /nfs/dbraw/zinc/50/43/20/493504320.db2.gz JDTWGECYOIRWKI-QAPCUYQASA-N 2 0 350.507 0.777 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000662296753 493504709 /nfs/dbraw/zinc/50/47/09/493504709.db2.gz MZMWYEULZQUNEK-SFHVURJKSA-N 2 0 362.518 0.779 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[NH2+]C1CC1 ZINC000669461458 493505248 /nfs/dbraw/zinc/50/52/48/493505248.db2.gz AGYVIYSIEDUBPO-UHFFFAOYSA-N 2 0 361.494 0.430 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486423 493506897 /nfs/dbraw/zinc/50/68/97/493506897.db2.gz DPJUTPIWCJLJTO-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491348 493507343 /nfs/dbraw/zinc/50/73/43/493507343.db2.gz WGOGLINCBAKEGJ-IAGOWNOFSA-N 2 0 363.506 0.324 20 0 FCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685647947 493507862 /nfs/dbraw/zinc/50/78/62/493507862.db2.gz GUWTYGNMAREYOE-MRXNPFEDSA-N 2 0 353.488 0.758 20 0 FCADRP C[N@@H+]1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)[C@H](c2ccccc2)C1 ZINC000662382884 493511106 /nfs/dbraw/zinc/51/11/06/493511106.db2.gz CYGSERJGQYHXJK-SFHVURJKSA-N 2 0 371.489 0.345 20 0 FCADRP CCOC1CC(CNC(=O)NC[C@@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000669571485 493511462 /nfs/dbraw/zinc/51/14/62/493511462.db2.gz PNXNLSOKHCSLOD-HJOIGYKYSA-N 2 0 354.495 0.698 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000662402117 493512779 /nfs/dbraw/zinc/51/27/79/493512779.db2.gz XFMWROCNOUJKDZ-SWLSCSKDSA-N 2 0 362.396 0.199 20 0 FCADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662400954 493512810 /nfs/dbraw/zinc/51/28/10/493512810.db2.gz GOKWAKWBZFFMGW-MRXNPFEDSA-N 2 0 356.470 0.616 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000662402116 493513169 /nfs/dbraw/zinc/51/31/69/493513169.db2.gz XFMWROCNOUJKDZ-IUODEOHRSA-N 2 0 362.396 0.199 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C)CC2)c1 ZINC000662446857 493515763 /nfs/dbraw/zinc/51/57/63/493515763.db2.gz QAVDGQJROXNCMP-CQSZACIVSA-N 2 0 371.445 0.487 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)c3cc4c(s3)CC[NH2+]C4)CCO2)CC1 ZINC000662447572 493515899 /nfs/dbraw/zinc/51/58/99/493515899.db2.gz ABFLUHLDUFMRCX-HNNXBMFYSA-N 2 0 364.515 0.482 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662774248 493541095 /nfs/dbraw/zinc/54/10/95/493541095.db2.gz PTSVXYXNPZXHHK-ONGXEEELSA-N 2 0 362.318 0.481 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717599 493534380 /nfs/dbraw/zinc/53/43/80/493534380.db2.gz PVSCSVCSUUJTEV-BZSNNMDCSA-N 2 0 374.485 0.364 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662715629 493534404 /nfs/dbraw/zinc/53/44/04/493534404.db2.gz LAFGFKDWFJVZTE-OAHLLOKOSA-N 2 0 362.396 0.295 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc3c2CC[NH2+]C3)cn1 ZINC000662747314 493536607 /nfs/dbraw/zinc/53/66/07/493536607.db2.gz ZOALPEVKVSMUFU-UHFFFAOYSA-N 2 0 370.457 0.459 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755541 493539300 /nfs/dbraw/zinc/53/93/00/493539300.db2.gz CYWZHUSVPFWKAC-QRVBRYPASA-N 2 0 360.502 0.845 20 0 FCADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662758783 493539856 /nfs/dbraw/zinc/53/98/56/493539856.db2.gz TUJDNNADCIZWAU-RTBURBONSA-N 2 0 360.502 0.674 20 0 FCADRP O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662833619 493545401 /nfs/dbraw/zinc/54/54/01/493545401.db2.gz SVWMNQRWQMBOKM-QGZVFWFLSA-N 2 0 361.490 0.675 20 0 FCADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101964 493545420 /nfs/dbraw/zinc/54/54/20/493545420.db2.gz HZJDDRQNIAGPFK-OKILXGFUSA-N 2 0 366.506 0.297 20 0 FCADRP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899142 493550224 /nfs/dbraw/zinc/55/02/24/493550224.db2.gz BXDLGWOZWFSPSQ-GDBMZVCRSA-N 2 0 360.506 0.727 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662939634 493556731 /nfs/dbraw/zinc/55/67/31/493556731.db2.gz BNADJVCNKHLSIG-UHFFFAOYSA-N 2 0 370.538 0.779 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)[C@@H]2C1 ZINC000662944040 493558559 /nfs/dbraw/zinc/55/85/59/493558559.db2.gz HSOWQYLLYJUAOY-KZNAEPCWSA-N 2 0 362.518 0.777 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000662946504 493558992 /nfs/dbraw/zinc/55/89/92/493558992.db2.gz ULUPKELPTQWFRA-UHFFFAOYSA-N 2 0 370.457 0.469 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCCC1 ZINC000670509457 493576218 /nfs/dbraw/zinc/57/62/18/493576218.db2.gz BYJVOVXMTBPOKM-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663558266 493598314 /nfs/dbraw/zinc/59/83/14/493598314.db2.gz NFDREXFONSOLGU-QGZVFWFLSA-N 2 0 367.538 0.253 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663558265 493598370 /nfs/dbraw/zinc/59/83/70/493598370.db2.gz NFDREXFONSOLGU-KRWDZBQOSA-N 2 0 367.538 0.253 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000670983495 493619269 /nfs/dbraw/zinc/61/92/69/493619269.db2.gz ITNGWNXITZHPMY-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000670984503 493619501 /nfs/dbraw/zinc/61/95/01/493619501.db2.gz MYDYFULBNYEHSG-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000677874790 493620531 /nfs/dbraw/zinc/62/05/31/493620531.db2.gz DLKFOLFWCBBNKL-CABCVRRESA-N 2 0 354.520 0.364 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962137 493627273 /nfs/dbraw/zinc/62/72/73/493627273.db2.gz KUTCGMPWADLUNP-OKZBNKHCSA-N 2 0 367.538 0.517 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104480 493635199 /nfs/dbraw/zinc/63/51/99/493635199.db2.gz JBMYGUXHPAQKTM-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671108356 493636419 /nfs/dbraw/zinc/63/64/19/493636419.db2.gz OIDMRNZOYDMIPA-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP COc1ccc(C)cc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000671139461 493642287 /nfs/dbraw/zinc/64/22/87/493642287.db2.gz FOWMDYMGHRLNIP-UHFFFAOYSA-N 2 0 364.490 0.572 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000671149689 493643893 /nfs/dbraw/zinc/64/38/93/493643893.db2.gz NTMGBAUPJRMBHP-HNNXBMFYSA-N 2 0 370.563 0.921 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H]1O ZINC000664475734 493662276 /nfs/dbraw/zinc/66/22/76/493662276.db2.gz TZFAKYIPXVYQFC-TWMKSMIVSA-N 2 0 354.495 0.071 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)Cc1ccccc1 ZINC000671390404 493663439 /nfs/dbraw/zinc/66/34/39/493663439.db2.gz YWVHQDZZHFIMPE-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404581 493666870 /nfs/dbraw/zinc/66/68/70/493666870.db2.gz NUKXQTMBTYXDRE-SJORKVTESA-N 2 0 373.501 0.967 20 0 FCADRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000664862000 493687153 /nfs/dbraw/zinc/68/71/53/493687153.db2.gz AGZRKZHKKNDRKN-QSPRXWTASA-N 2 0 364.494 0.119 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000671816093 493707370 /nfs/dbraw/zinc/70/73/70/493707370.db2.gz LELVLRDSZBLEFE-CABCVRRESA-N 2 0 364.490 0.051 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000671819761 493707529 /nfs/dbraw/zinc/70/75/29/493707529.db2.gz VMPRTKGIWROTEM-CABCVRRESA-N 2 0 354.495 0.060 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000665271273 493708027 /nfs/dbraw/zinc/70/80/27/493708027.db2.gz KNGSOEKUZSDMIA-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000665461221 493715966 /nfs/dbraw/zinc/71/59/66/493715966.db2.gz GZKDLLYJDRGRBK-ZWKOTPCHSA-N 2 0 366.506 0.338 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000672002416 493723124 /nfs/dbraw/zinc/72/31/24/493723124.db2.gz JUQBQEYDAXUEKO-UHFFFAOYSA-N 2 0 362.474 0.025 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH+](C)CC1 ZINC000672007351 493723630 /nfs/dbraw/zinc/72/36/30/493723630.db2.gz HSEFXPOPCASWQC-HZTRTUMWSA-N 2 0 350.507 0.964 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672010658 493723883 /nfs/dbraw/zinc/72/38/83/493723883.db2.gz XKPAEBLGCSYYKB-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672011008 493724399 /nfs/dbraw/zinc/72/43/99/493724399.db2.gz PVMAPNYRWLTFDC-XHSDSOJGSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013572 493724688 /nfs/dbraw/zinc/72/46/88/493724688.db2.gz LRULFUDJBIRQCL-PBHICJAKSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099058 493734989 /nfs/dbraw/zinc/73/49/89/493734989.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 2 0 367.538 0.118 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304756 493751651 /nfs/dbraw/zinc/75/16/51/493751651.db2.gz JITJHQNYUDNULW-ZWKOTPCHSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCCC1 ZINC000672311184 493754839 /nfs/dbraw/zinc/75/48/39/493754839.db2.gz ZNRVCMLNEDZXBK-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000666152415 493760446 /nfs/dbraw/zinc/76/04/46/493760446.db2.gz XCMFJPPUULPQFJ-LJQANCHMSA-N 2 0 361.490 0.659 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000947279165 674354320 /nfs/dbraw/zinc/35/43/20/674354320.db2.gz SERIUQLCKJPGBP-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000947972331 674369561 /nfs/dbraw/zinc/36/95/61/674369561.db2.gz FLCASERQPQUKTN-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000410471516 528147631 /nfs/dbraw/zinc/14/76/31/528147631.db2.gz QJLGGYKEVFNWLV-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413591981 528825807 /nfs/dbraw/zinc/82/58/07/528825807.db2.gz VTEOFMAWMNEGBA-QGZVFWFLSA-N 2 0 369.554 0.811 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1C ZINC000190249404 529070681 /nfs/dbraw/zinc/07/06/81/529070681.db2.gz MAAOVOHLEVOQAB-OAHLLOKOSA-N 2 0 364.494 0.542 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192002014 529105825 /nfs/dbraw/zinc/10/58/25/529105825.db2.gz TUDKVOOMQCZVKR-HNNXBMFYSA-N 2 0 357.524 0.824 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423504850 535063266 /nfs/dbraw/zinc/06/32/66/535063266.db2.gz LDRFWFUDOPPRDQ-DLBZAZTESA-N 2 0 364.465 0.877 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419399782 535082541 /nfs/dbraw/zinc/08/25/41/535082541.db2.gz ZNXNLXDYLSAZPS-OAHLLOKOSA-N 2 0 358.486 0.747 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419908855 535159756 /nfs/dbraw/zinc/15/97/56/535159756.db2.gz JYRZSZYIAIYNIC-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP CCCN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419231478 535193783 /nfs/dbraw/zinc/19/37/83/535193783.db2.gz RWVFHBXXKBSCOW-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419284164 535219054 /nfs/dbraw/zinc/21/90/54/535219054.db2.gz KJVIMXBMVILQNO-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419761646 535297064 /nfs/dbraw/zinc/29/70/64/535297064.db2.gz KUSCZFUAJGKZDF-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419761127 535297637 /nfs/dbraw/zinc/29/76/37/535297637.db2.gz JTOBNLWTSNVMMH-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000423725002 535439314 /nfs/dbraw/zinc/43/93/14/535439314.db2.gz SCWBZZGEUUAMMA-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419587896 535501564 /nfs/dbraw/zinc/50/15/64/535501564.db2.gz NWUGHCMWPULJHW-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423522845 535572278 /nfs/dbraw/zinc/57/22/78/535572278.db2.gz HSNTUEYFDLZHOD-ZWKOTPCHSA-N 2 0 360.502 0.863 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419945036 535594799 /nfs/dbraw/zinc/59/47/99/535594799.db2.gz BWPMGHCGVNXXCN-RDJZCZTQSA-N 2 0 361.490 0.606 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389427 535669683 /nfs/dbraw/zinc/66/96/83/535669683.db2.gz HOSUERYUTYJNAT-MSOLQXFVSA-N 2 0 360.502 0.863 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419824363 535709427 /nfs/dbraw/zinc/70/94/27/535709427.db2.gz MRAUMLQYQBEXPK-IKGGRYGDSA-N 2 0 367.538 0.010 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419835894 535709452 /nfs/dbraw/zinc/70/94/52/535709452.db2.gz VHJKTQLUHNHBGM-OAHLLOKOSA-N 2 0 355.527 0.010 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419822490 535709631 /nfs/dbraw/zinc/70/96/31/535709631.db2.gz LOMDWFVHSODTAN-IKGGRYGDSA-N 2 0 367.538 0.105 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419822489 535710026 /nfs/dbraw/zinc/71/00/26/535710026.db2.gz LOMDWFVHSODTAN-BRWVUGGUSA-N 2 0 367.538 0.105 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NCC[NH3+])CC1 ZINC000419303846 535746781 /nfs/dbraw/zinc/74/67/81/535746781.db2.gz SZNGKDNJXMXKLQ-ZDUSSCGKSA-N 2 0 365.453 0.220 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000419653158 535838514 /nfs/dbraw/zinc/83/85/14/535838514.db2.gz FKMDSKXFHOYSIT-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCC[NH3+] ZINC000419841009 535862797 /nfs/dbraw/zinc/86/27/97/535862797.db2.gz STYZPLZYPWYZNB-UHFFFAOYSA-N 2 0 360.380 0.671 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419937383 535863160 /nfs/dbraw/zinc/86/31/60/535863160.db2.gz NIOBXTATQNQLHU-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423366087 535865729 /nfs/dbraw/zinc/86/57/29/535865729.db2.gz LFYRZQAOHDYJSP-HNNXBMFYSA-N 2 0 350.463 0.757 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000423426976 535882974 /nfs/dbraw/zinc/88/29/74/535882974.db2.gz PZYVAXJMKFURJS-HNNXBMFYSA-N 2 0 350.467 0.278 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419713760 535926977 /nfs/dbraw/zinc/92/69/77/535926977.db2.gz RWQHUJDQODPCJY-KRWDZBQOSA-N 2 0 360.502 0.913 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419840681 535946450 /nfs/dbraw/zinc/94/64/50/535946450.db2.gz JAMZIQKUFSBLMH-ZWKOTPCHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423306482 536355770 /nfs/dbraw/zinc/35/57/70/536355770.db2.gz UDZFSKSDWPTZQD-AQFXKWCLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423615733 536368599 /nfs/dbraw/zinc/36/85/99/536368599.db2.gz VHNGIRLVSIWWGJ-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000419823123 536368626 /nfs/dbraw/zinc/36/86/26/536368626.db2.gz PTSSFDDLEQLXOM-AEFFLSMTSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423401755 536416134 /nfs/dbraw/zinc/41/61/34/536416134.db2.gz XHYJYYLLVIWWGR-AEFFLSMTSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000423718467 536422222 /nfs/dbraw/zinc/42/22/22/536422222.db2.gz BCNUSRIGVBVGND-UHFFFAOYSA-N 3 0 360.506 0.975 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423311921 536449278 /nfs/dbraw/zinc/44/92/78/536449278.db2.gz UQGNXRLXMBYBCM-QRVBRYPASA-N 2 0 370.497 0.645 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000414718134 536469617 /nfs/dbraw/zinc/46/96/17/536469617.db2.gz QYCFWKSQPXVYJP-UHFFFAOYSA-N 2 0 373.501 0.585 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419753635 536747127 /nfs/dbraw/zinc/74/71/27/536747127.db2.gz OAXSKUWFHUDGSW-MRXNPFEDSA-N 2 0 370.538 0.824 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419757556 536747351 /nfs/dbraw/zinc/74/73/51/536747351.db2.gz UQAQSDDUTYGJIH-LSDHHAIUSA-N 2 0 368.522 0.578 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419757554 536747392 /nfs/dbraw/zinc/74/73/92/536747392.db2.gz UQAQSDDUTYGJIH-HUUCEWRRSA-N 2 0 368.522 0.578 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423267131 536840619 /nfs/dbraw/zinc/84/06/19/536840619.db2.gz SUHODSJPBXNSLG-MRXNPFEDSA-N 2 0 368.522 0.260 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424503134 536857271 /nfs/dbraw/zinc/85/72/71/536857271.db2.gz HNHBZRVXDLXVCZ-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCCC1 ZINC000594082625 546773844 /nfs/dbraw/zinc/77/38/44/546773844.db2.gz HHVPZSPUSZXAIF-HNNXBMFYSA-N 2 0 353.511 0.890 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594099374 546773863 /nfs/dbraw/zinc/77/38/63/546773863.db2.gz HMVZMVKNYFHSSK-MRXNPFEDSA-N 2 0 353.511 0.746 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418506535 546907185 /nfs/dbraw/zinc/90/71/85/546907185.db2.gz IOZILORYKPZZLY-DLBZAZTESA-N 2 0 350.463 0.676 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000550133418 547079126 /nfs/dbraw/zinc/07/91/26/547079126.db2.gz OCRDWAHYQMEWGX-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330385 547082399 /nfs/dbraw/zinc/08/23/99/547082399.db2.gz AXOMSMAAIQAZCT-HOCLYGCPSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000550653520 547095097 /nfs/dbraw/zinc/09/50/97/547095097.db2.gz KMSVYXWLYCCVLH-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC000550843530 547111038 /nfs/dbraw/zinc/11/10/38/547111038.db2.gz TUVYSOVACURGEA-SFHVURJKSA-N 2 0 370.563 0.919 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000550958348 547117705 /nfs/dbraw/zinc/11/77/05/547117705.db2.gz SKBWJTACQNQJLH-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551138541 547128443 /nfs/dbraw/zinc/12/84/43/547128443.db2.gz ZPGOJCHZFOKBPI-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551282060 547139222 /nfs/dbraw/zinc/13/92/22/547139222.db2.gz QGRSEFTWWCMDQD-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284153 547140140 /nfs/dbraw/zinc/14/01/40/547140140.db2.gz JAADTIPLDMGDFX-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000551332786 547142269 /nfs/dbraw/zinc/14/22/69/547142269.db2.gz QKHLCGVVJYJSCX-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551492068 547150113 /nfs/dbraw/zinc/15/01/13/547150113.db2.gz LCIMNCXJPAYBHJ-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553092445 547252865 /nfs/dbraw/zinc/25/28/65/547252865.db2.gz FZXBSMJQXXBZDB-NVXWUHKLSA-N 2 0 354.564 0.956 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000553615226 547293645 /nfs/dbraw/zinc/29/36/45/547293645.db2.gz GBTWPKXZIGCIOW-CVEARBPZSA-N 2 0 356.511 0.402 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686782 547300272 /nfs/dbraw/zinc/30/02/72/547300272.db2.gz JZEOZXPBSZROJF-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734446 547303734 /nfs/dbraw/zinc/30/37/34/547303734.db2.gz ZHRRKPNZFCOPCD-CABCVRRESA-N 2 0 356.511 0.306 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000475723657 547334608 /nfs/dbraw/zinc/33/46/08/547334608.db2.gz PWSHROFIEFHUGT-AKHDSKFASA-N 2 0 357.539 0.889 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000948962692 674391131 /nfs/dbraw/zinc/39/11/31/674391131.db2.gz SLLIYZBAKLDGIB-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949211324 674397611 /nfs/dbraw/zinc/39/76/11/674397611.db2.gz TXMDIHJPLZKPPZ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000956323584 674521431 /nfs/dbraw/zinc/52/14/31/674521431.db2.gz VTTFCCOZCCSPPV-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821351864 606635099 /nfs/dbraw/zinc/63/50/99/606635099.db2.gz VYBLMVTWHBSSNI-OAHLLOKOSA-N 2 0 358.450 0.961 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821351059 606635116 /nfs/dbraw/zinc/63/51/16/606635116.db2.gz JTTOTZVOPZIADO-STQMWFEESA-N 2 0 363.470 0.051 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496820 665719449 /nfs/dbraw/zinc/71/94/49/665719449.db2.gz KJNVXORUGKLPFI-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000969705699 663190119 /nfs/dbraw/zinc/19/01/19/663190119.db2.gz ARECVYLGYMRNQL-CWRNSKLLSA-N 2 0 351.495 0.178 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21)[NH+](C)C ZINC001022021363 663388563 /nfs/dbraw/zinc/38/85/63/663388563.db2.gz CNMIAHVVGNYTRG-ARFHVFGLSA-N 2 0 350.507 0.870 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891440305 663393469 /nfs/dbraw/zinc/39/34/69/663393469.db2.gz XFLOPDBDCUZUMP-DGCLKSJQSA-N 2 0 352.401 0.876 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891440304 663393545 /nfs/dbraw/zinc/39/35/45/663393545.db2.gz XFLOPDBDCUZUMP-AAEUAGOBSA-N 2 0 352.401 0.876 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891483845 663408926 /nfs/dbraw/zinc/40/89/26/663408926.db2.gz RZJZCVQUCIKOHM-OAGGEKHMSA-N 2 0 351.495 0.465 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495567 663409851 /nfs/dbraw/zinc/40/98/51/663409851.db2.gz ZVNCDOVXYOTSJU-BARDWOONSA-N 2 0 353.467 0.293 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1C(F)(F)F ZINC000891513854 663410805 /nfs/dbraw/zinc/41/08/05/663410805.db2.gz IALMBCGLEWTSHY-XQHKEYJVSA-N 2 0 350.385 0.628 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891564446 663415563 /nfs/dbraw/zinc/41/55/63/663415563.db2.gz NHCQFJKASLZYJX-IRXDYDNUSA-N 2 0 353.511 0.306 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC001022224326 663421721 /nfs/dbraw/zinc/42/17/21/663421721.db2.gz SBZFOTLHECHCGX-BHYGNILZSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000891730791 663431455 /nfs/dbraw/zinc/43/14/55/663431455.db2.gz ZMBCODKKTKIJMN-CALCHBBNSA-N 2 0 355.527 0.375 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891971081 663459513 /nfs/dbraw/zinc/45/95/13/663459513.db2.gz QRDNQJPNTICBGW-UHFFFAOYSA-N 2 0 351.495 0.468 20 0 FCADRP [NH3+]C1CCC(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892025462 663468635 /nfs/dbraw/zinc/46/86/35/663468635.db2.gz XLEPHXFBMISXKE-JCYILVPMSA-N 2 0 353.511 0.352 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[NH2+]C1 ZINC000892106986 663476914 /nfs/dbraw/zinc/47/69/14/663476914.db2.gz FPCAOUWASPJPGZ-QWHCGFSZSA-N 2 0 365.444 0.900 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH2+]CCC12CCC2 ZINC000892107815 663477236 /nfs/dbraw/zinc/47/72/36/663477236.db2.gz NBTBDQAXTHGAKY-ZDUSSCGKSA-N 2 0 363.428 0.750 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000892263214 663508078 /nfs/dbraw/zinc/50/80/78/663508078.db2.gz LVLGLPUPRCVRDI-JKSUJKDBSA-N 2 0 351.495 0.513 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC000972860523 663896762 /nfs/dbraw/zinc/89/67/62/663896762.db2.gz FSEPZSSJLYKTEO-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC000972993146 664038801 /nfs/dbraw/zinc/03/88/01/664038801.db2.gz YHKXZBSAHGPTLN-IXDOHACOSA-N 2 0 350.507 0.728 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C2 ZINC000892879848 664152959 /nfs/dbraw/zinc/15/29/59/664152959.db2.gz VFWGJIYTELKOAJ-LBPRGKRZSA-N 2 0 353.492 0.516 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000892920550 664154408 /nfs/dbraw/zinc/15/44/08/664154408.db2.gz WFVGHWBKXWHORK-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893053681 664201972 /nfs/dbraw/zinc/20/19/72/664201972.db2.gz PSEYFJYWCGFEHY-QGZVFWFLSA-N 2 0 355.527 0.470 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001026497190 664239128 /nfs/dbraw/zinc/23/91/28/664239128.db2.gz RREIIGFGPDNJTC-SJJHQCBESA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000977796498 664424328 /nfs/dbraw/zinc/42/43/28/664424328.db2.gz CPZOYRJALDLXEE-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)O1 ZINC000978361381 664435789 /nfs/dbraw/zinc/43/57/89/664435789.db2.gz VUHHPISJUVYNMJ-FXXCCUJSSA-N 2 0 351.491 0.569 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000978980204 664452249 /nfs/dbraw/zinc/45/22/49/664452249.db2.gz IVZKGXHJHFKDJJ-TXCZRRACSA-N 2 0 350.507 0.679 20 0 FCADRP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1(F)F ZINC000894165861 664902661 /nfs/dbraw/zinc/90/26/61/664902661.db2.gz ISKWRWQIKRAQAQ-ZFWWWQNUSA-N 2 0 354.401 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC000983708173 664985279 /nfs/dbraw/zinc/98/52/79/664985279.db2.gz HZQBSMNPMILSNS-ZHCJQAHYSA-N 2 0 371.547 0.636 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=S)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000727077565 665022807 /nfs/dbraw/zinc/02/28/07/665022807.db2.gz QZOXLZZUMDLFQP-UHFFFAOYSA-N 2 0 357.568 0.626 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=S)NCC[NH+](C)C)c1 ZINC000727285384 665031265 /nfs/dbraw/zinc/03/12/65/665031265.db2.gz VIKNSYGDBNFMKL-UHFFFAOYSA-N 2 0 351.520 0.504 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984899546 665114433 /nfs/dbraw/zinc/11/44/33/665114433.db2.gz GFXULPYDHDJPGG-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985442735 665167664 /nfs/dbraw/zinc/16/76/64/665167664.db2.gz QVSYJVDXMNGYGO-GDBMZVCRSA-N 2 0 351.495 0.275 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000888169350 665284897 /nfs/dbraw/zinc/28/48/97/665284897.db2.gz HNDPEGRIPHFEAK-HOTGVXAUSA-N 2 0 353.511 0.868 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000938039673 665313003 /nfs/dbraw/zinc/31/30/03/665313003.db2.gz AASCPCZDCQRIDI-BQJWPVKWSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000989052478 665338113 /nfs/dbraw/zinc/33/81/13/665338113.db2.gz WJHFSDKIBZOGBU-VYDXJSESSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000905356299 666018435 /nfs/dbraw/zinc/01/84/35/666018435.db2.gz MTBCVGVXFRJPFC-KRWDZBQOSA-N 2 0 372.579 0.664 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000907046409 666092351 /nfs/dbraw/zinc/09/23/51/666092351.db2.gz DWDQUGAJUGCTMN-QZTJIDSGSA-N 2 0 352.523 0.364 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)C1CCC([NH+]2CCOCC2)CC1 ZINC000908526074 666210217 /nfs/dbraw/zinc/21/02/17/666210217.db2.gz JZNAURZLNCKIOI-DAWZGUTISA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000908526465 666210231 /nfs/dbraw/zinc/21/02/31/666210231.db2.gz MSYKIOPIBUEUQV-SFHVURJKSA-N 2 0 354.539 0.756 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908541131 666211382 /nfs/dbraw/zinc/21/13/82/666211382.db2.gz QGCXPYJMFFDBDW-LXPRWKDFSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000911417816 666346564 /nfs/dbraw/zinc/34/65/64/666346564.db2.gz DGFBKMOGWHNQFV-KURKYZTESA-N 2 0 352.523 0.506 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)C2)CC1 ZINC000911559824 666366135 /nfs/dbraw/zinc/36/61/35/666366135.db2.gz ZDZDAEQTAZHXLF-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCC(N(CCO)C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000911939513 666383666 /nfs/dbraw/zinc/38/36/66/666383666.db2.gz VOTOMKUOVPXCLT-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000912731732 666470950 /nfs/dbraw/zinc/47/09/50/666470950.db2.gz CABPDAYOWAPNNT-QGZVFWFLSA-N 2 0 352.523 0.582 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)CC[N@@H+]1C ZINC000991492670 666539445 /nfs/dbraw/zinc/53/94/45/666539445.db2.gz OKPTUEBRXOFDSU-BBWFWOEESA-N 2 0 350.507 0.917 20 0 FCADRP CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@H]12 ZINC000991974159 666611110 /nfs/dbraw/zinc/61/11/10/666611110.db2.gz LEKPEZRONXNCHJ-VUHPKUFZSA-N 2 0 351.491 0.999 20 0 FCADRP CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@H]12 ZINC000991974150 666611161 /nfs/dbraw/zinc/61/11/61/666611161.db2.gz LEKPEZRONXNCHJ-DFEOGRTESA-N 2 0 351.491 0.999 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315806 666633107 /nfs/dbraw/zinc/63/31/07/666633107.db2.gz XDFQLJYBYPLZDY-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)CC[N@@H+]1C ZINC000992399278 666635935 /nfs/dbraw/zinc/63/59/35/666635935.db2.gz HEKASWRXNIQQTM-GVDBMIGSSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@H](C(=O)N1CC2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2(C)C1)[NH+](C)C ZINC000993072752 666779103 /nfs/dbraw/zinc/77/91/03/666779103.db2.gz NDJBWXBIWOTNIW-BWRBCVJASA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000944029847 666813481 /nfs/dbraw/zinc/81/34/81/666813481.db2.gz BAVKJHHEFOGKJC-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419482190 674768793 /nfs/dbraw/zinc/76/87/93/674768793.db2.gz PYEBPIZHHJJGSU-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214115 666853225 /nfs/dbraw/zinc/85/32/25/666853225.db2.gz HAOROMGEFCCVTO-OLMMMNRUSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996608224 666944646 /nfs/dbraw/zinc/94/46/46/666944646.db2.gz RFZHFFCHVLGODV-HLLBOEOZSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994031512 666959001 /nfs/dbraw/zinc/95/90/01/666959001.db2.gz IJTRVLUHWSLAAJ-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CCCN1C(=O)C(=O)N(CN2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000917460852 667074652 /nfs/dbraw/zinc/07/46/52/667074652.db2.gz KIEFOMKQTNAFJW-UHFFFAOYSA-N 2 0 352.435 0.189 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)CC1 ZINC001032408982 667110936 /nfs/dbraw/zinc/11/09/36/667110936.db2.gz RHORDQIHKKJDBV-FJIDUMEYSA-N 2 0 351.491 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000997793508 667175939 /nfs/dbraw/zinc/17/59/39/667175939.db2.gz QCYIZHBYHRXGIM-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)[NH+](C)C ZINC000997872924 667178485 /nfs/dbraw/zinc/17/84/85/667178485.db2.gz YLRWSBPSBVSJMR-TWMKSMIVSA-N 2 0 350.507 0.917 20 0 FCADRP C[NH+]1CCC(NC(=S)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000921143734 667270623 /nfs/dbraw/zinc/27/06/23/667270623.db2.gz BOCZFRNAQOWFPJ-UHFFFAOYSA-N 2 0 362.547 0.892 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@@H+]1C ZINC001002262068 667527790 /nfs/dbraw/zinc/52/77/90/667527790.db2.gz BYBFSZVFXMJHMX-BBWFWOEESA-N 2 0 350.507 0.632 20 0 FCADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002844526 667569271 /nfs/dbraw/zinc/56/92/71/667569271.db2.gz IMCXGHUNBUXAIC-QGTPRVQTSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001003797053 667631532 /nfs/dbraw/zinc/63/15/32/667631532.db2.gz QLKXRZAABKPTPB-HDEZJCGLSA-N 2 0 350.507 0.632 20 0 FCADRP CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004449837 667687179 /nfs/dbraw/zinc/68/71/79/667687179.db2.gz JYTGMMBEYQLSEE-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406893 667740513 /nfs/dbraw/zinc/74/05/13/667740513.db2.gz KFYPDKVZKOMVQA-JKIFEVAISA-N 2 0 350.507 0.917 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCCC[N@H+](CCO)C2)CC1 ZINC001034209094 667749274 /nfs/dbraw/zinc/74/92/74/667749274.db2.gz GUKWFLXPDNGHOF-KSZLIROESA-N 2 0 353.507 0.696 20 0 FCADRP CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001034647282 667762087 /nfs/dbraw/zinc/76/20/87/667762087.db2.gz CPXRTXUWLMZOHP-HHARLNAUSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001035375574 667777885 /nfs/dbraw/zinc/77/78/85/667777885.db2.gz KUWSMGGGJIPJKJ-FGTMMUONSA-N 2 0 353.507 0.960 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280897 667821849 /nfs/dbraw/zinc/82/18/49/667821849.db2.gz LSBBLQAYQBPYFW-HIFRSBDPSA-N 2 0 355.866 0.867 20 0 FCADRP COc1cc(CNC(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(OC)c1OC ZINC000923486008 667840540 /nfs/dbraw/zinc/84/05/40/667840540.db2.gz AWJLWODCKDDJDE-ZDUSSCGKSA-N 2 0 351.447 0.999 20 0 FCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504460 667842390 /nfs/dbraw/zinc/84/23/90/667842390.db2.gz YCKDIZFLFSADQT-KRWDZBQOSA-N 2 0 350.507 0.779 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923588290 667852616 /nfs/dbraw/zinc/85/26/16/667852616.db2.gz XAPZYRJYPOXCMP-UHFFFAOYSA-N 2 0 352.504 0.653 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001006183434 667856312 /nfs/dbraw/zinc/85/63/12/667856312.db2.gz KNRJVYPUJMZVTF-BHYGNILZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000743595749 668049265 /nfs/dbraw/zinc/04/92/65/668049265.db2.gz QEETVYYVRHIHEP-UHFFFAOYSA-N 2 0 355.552 0.345 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511551 668154123 /nfs/dbraw/zinc/15/41/23/668154123.db2.gz TUUAEAQOAWSZNZ-GOEBONIOSA-N 2 0 350.463 0.080 20 0 FCADRP O=C1[C@H]2CSCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000777631397 668333920 /nfs/dbraw/zinc/33/39/20/668333920.db2.gz BXQCFVUIBOAGOZ-OAHLLOKOSA-N 2 0 361.471 0.931 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC000788484823 668829844 /nfs/dbraw/zinc/82/98/44/668829844.db2.gz PFFLAHDSFCCDBM-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000793701412 668942881 /nfs/dbraw/zinc/94/28/81/668942881.db2.gz QDZIBTHXHOUCIN-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CSCCN1C(=O)C[NH+]1CCCC1 ZINC000821497978 669200272 /nfs/dbraw/zinc/20/02/72/669200272.db2.gz STSGTMOGRQSNSR-OAHLLOKOSA-N 2 0 354.520 0.238 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799113739 669282283 /nfs/dbraw/zinc/28/22/83/669282283.db2.gz KRKPOKFSTJEYBD-OAHLLOKOSA-N 2 0 352.479 0.352 20 0 FCADRP C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2noc([C@@H]3C[C@@H]3[NH3+])n2)cc1 ZINC000822942350 669307927 /nfs/dbraw/zinc/30/79/27/669307927.db2.gz VPFCZUHFYWPDFU-KGLIPLIRSA-N 2 0 365.459 0.781 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000809968028 669654329 /nfs/dbraw/zinc/65/43/29/669654329.db2.gz KQDPPRWGHMLWEZ-GOSISDBHSA-N 2 0 358.527 0.831 20 0 FCADRP C[NH+]1CCC(CNC(=S)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000814207096 669877945 /nfs/dbraw/zinc/87/79/45/669877945.db2.gz RRHBQHXFFMTAPN-UHFFFAOYSA-N 2 0 369.579 0.785 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000964929271 675076868 /nfs/dbraw/zinc/07/68/68/675076868.db2.gz YWDPFWCBDVQFNF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000841480766 670566053 /nfs/dbraw/zinc/56/60/53/670566053.db2.gz ABENKUATBPXEFS-UHFFFAOYSA-N 2 0 356.448 0.647 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000843263532 670790587 /nfs/dbraw/zinc/79/05/87/670790587.db2.gz XYHOELVXZYNUAU-JKSUJKDBSA-N 2 0 354.495 0.116 20 0 FCADRP COC(=O)CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCOCC1 ZINC000843389212 670811489 /nfs/dbraw/zinc/81/14/89/670811489.db2.gz UFJPYAQBYCSGME-ROUUACIJSA-N 2 0 350.459 0.961 20 0 FCADRP CCS(=O)(=O)NCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849057906 671316330 /nfs/dbraw/zinc/31/63/30/671316330.db2.gz ALTRPCOHWSXIAX-UHFFFAOYSA-N 2 0 367.519 0.704 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000850748920 671406963 /nfs/dbraw/zinc/40/69/63/671406963.db2.gz LJGHWLSRHOAIQS-UHFFFAOYSA-N 2 0 351.451 0.508 20 0 FCADRP CON(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000856014649 671674498 /nfs/dbraw/zinc/67/44/98/671674498.db2.gz MTSIUDJSMUDCNT-KLHDSHLOSA-N 2 0 354.495 0.563 20 0 FCADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000903525442 675938668 /nfs/dbraw/zinc/93/86/68/675938668.db2.gz IWIWFPXANJLWBM-AEFFLSMTSA-N 2 0 365.499 0.827 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000864335681 672191019 /nfs/dbraw/zinc/19/10/19/672191019.db2.gz VINIZLSVIILYAT-DYVFJYSZSA-N 2 0 362.499 0.770 20 0 FCADRP CN1CC[NH+](C2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)CC1 ZINC000865268008 672236148 /nfs/dbraw/zinc/23/61/48/672236148.db2.gz ZMFDJQNRJHXHOT-UHFFFAOYSA-N 2 0 353.580 0.915 20 0 FCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865451168 672243145 /nfs/dbraw/zinc/24/31/45/672243145.db2.gz KBQYFHAIKDBYMI-GOSISDBHSA-N 2 0 350.511 0.820 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(F)(F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865915801 672255464 /nfs/dbraw/zinc/25/54/64/672255464.db2.gz HMEIJTSIKSPGJQ-VXGBXAGGSA-N 2 0 356.417 0.328 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000868306037 672393309 /nfs/dbraw/zinc/39/33/09/672393309.db2.gz LPZWOANJPFTCLV-HAQNSBGRSA-N 2 0 352.410 0.558 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055611057 676027098 /nfs/dbraw/zinc/02/70/98/676027098.db2.gz DJXIQDGWNYSOFE-DNVCBOLYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883357 672515876 /nfs/dbraw/zinc/51/58/76/672515876.db2.gz UKNXCPXPPWRBOK-ZDUSSCGKSA-N 2 0 351.520 0.976 20 0 FCADRP CC[C@@H](F)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055614853 676027402 /nfs/dbraw/zinc/02/74/02/676027402.db2.gz KXMMMBVXNYMBMS-FVQBIDKESA-N 2 0 356.486 0.772 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923625483 672521748 /nfs/dbraw/zinc/52/17/48/672521748.db2.gz PHWYJQOCBYLHQW-UHFFFAOYSA-N 2 0 360.446 0.733 20 0 FCADRP C[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055617698 676027845 /nfs/dbraw/zinc/02/78/45/676027845.db2.gz MOGXMNKVQIVQIH-ABFRBSLYSA-N 2 0 350.507 0.679 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000123682624 672563705 /nfs/dbraw/zinc/56/37/05/672563705.db2.gz PJRSNKNSSWJMRI-IYBDPMFKSA-N 2 0 356.511 0.848 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297745 672611247 /nfs/dbraw/zinc/61/12/47/672611247.db2.gz UXCYCESWJGWCCL-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056549055 676047296 /nfs/dbraw/zinc/04/72/96/676047296.db2.gz VACYVTXKAMICFI-NCOADZHNSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873328926 672714127 /nfs/dbraw/zinc/71/41/27/672714127.db2.gz RWLCEPOYFRSCGZ-AWEZNQCLSA-N 2 0 350.467 0.725 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000874432149 672783434 /nfs/dbraw/zinc/78/34/34/672783434.db2.gz HHPXZYKBBAIVND-KFWWJZLASA-N 2 0 351.451 0.047 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876849207 672982894 /nfs/dbraw/zinc/98/28/94/672982894.db2.gz QRCZIPAWKOHLDY-ZDUSSCGKSA-N 2 0 366.487 0.896 20 0 FCADRP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050525407 676085397 /nfs/dbraw/zinc/08/53/97/676085397.db2.gz WPQUBIWNVNFUNK-BZUAXINKSA-N 2 0 350.507 0.728 20 0 FCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)C1 ZINC000879249469 673107235 /nfs/dbraw/zinc/10/72/35/673107235.db2.gz QTFITSQLMCHQNV-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000130603728 673362072 /nfs/dbraw/zinc/36/20/72/673362072.db2.gz BXFDSJBNSCVDBV-UHFFFAOYSA-N 2 0 350.467 0.183 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883385695 673372929 /nfs/dbraw/zinc/37/29/29/673372929.db2.gz QWARWNQILFKHRS-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000884235740 673441029 /nfs/dbraw/zinc/44/10/29/673441029.db2.gz CMONCFQNFRJBPB-KRWDZBQOSA-N 2 0 350.463 0.615 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000884463583 673454748 /nfs/dbraw/zinc/45/47/48/673454748.db2.gz LURHOHJMVAAXJV-XMQYKBBCSA-N 2 0 364.471 0.786 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516829 673459405 /nfs/dbraw/zinc/45/94/05/673459405.db2.gz VPEJYIQBTWKYHO-HZPDHXFCSA-N 2 0 352.479 0.086 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560395 673462340 /nfs/dbraw/zinc/46/23/40/673462340.db2.gz WULPOIOTZSLCFG-LSDHHAIUSA-N 2 0 352.479 0.086 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000884576617 673463513 /nfs/dbraw/zinc/46/35/13/673463513.db2.gz LVPSQJIFBRQKAC-XNRPHZJLSA-N 2 0 350.438 0.598 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884577903 673463667 /nfs/dbraw/zinc/46/36/67/673463667.db2.gz OGHOASIVFYVTME-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884597495 673464690 /nfs/dbraw/zinc/46/46/90/673464690.db2.gz BVEAACWCJCNPJE-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884597833 673464794 /nfs/dbraw/zinc/46/47/94/673464794.db2.gz LLFGKIVNWDSKTO-QFBILLFUSA-N 2 0 350.507 0.683 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884603291 673465121 /nfs/dbraw/zinc/46/51/21/673465121.db2.gz GMTHQPGFQFJVHP-HUUCEWRRSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000884645038 673469586 /nfs/dbraw/zinc/46/95/86/673469586.db2.gz NZQLWQYFNRJQRI-KGLIPLIRSA-N 2 0 360.449 0.728 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC(C)(C)[NH2+]1 ZINC000884652171 673469851 /nfs/dbraw/zinc/46/98/51/673469851.db2.gz LVJUPZWZYQKPNY-NSHDSACASA-N 2 0 360.449 0.773 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000884669855 673471293 /nfs/dbraw/zinc/47/12/93/673471293.db2.gz IGHRBRZEWUEXHT-UPJWGTAASA-N 2 0 364.412 0.430 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000884721734 673477172 /nfs/dbraw/zinc/47/71/72/673477172.db2.gz RSKSAFTUYKRBTI-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884774302 673480830 /nfs/dbraw/zinc/48/08/30/673480830.db2.gz KDGBVQFCIHYFGF-WYUUTHIRSA-N 2 0 350.385 0.038 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000884773285 673480848 /nfs/dbraw/zinc/48/08/48/673480848.db2.gz CTFVOFVQODNIFM-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884787459 673482355 /nfs/dbraw/zinc/48/23/55/673482355.db2.gz SJOTWGCHHHPDCH-GRYCIOLGSA-N 2 0 350.385 0.183 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884881837 673488497 /nfs/dbraw/zinc/48/84/97/673488497.db2.gz KFNMCMCBWLGXGR-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000884967709 673494138 /nfs/dbraw/zinc/49/41/38/673494138.db2.gz KHSXUIVDSXVOOL-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970480 673494439 /nfs/dbraw/zinc/49/44/39/673494439.db2.gz KDCPOFWCKHDBBG-CVEARBPZSA-N 2 0 352.523 0.975 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000884973705 673494626 /nfs/dbraw/zinc/49/46/26/673494626.db2.gz CTUQEFBYXJLDFA-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884986068 673495959 /nfs/dbraw/zinc/49/59/59/673495959.db2.gz HPSAZUDVAGKDFC-FUJMWEONSA-N 2 0 360.449 0.727 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276510 673511439 /nfs/dbraw/zinc/51/14/39/673511439.db2.gz SRMPJESLPNYANX-MELADBBJSA-N 2 0 358.433 0.290 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000885292285 673513097 /nfs/dbraw/zinc/51/30/97/673513097.db2.gz UPHNFLPVXQDQQV-UONOGXRCSA-N 2 0 358.433 0.292 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887079159 673620584 /nfs/dbraw/zinc/62/05/84/673620584.db2.gz LJUXPEDUSLNHSJ-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H](CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130331 673704271 /nfs/dbraw/zinc/70/42/71/673704271.db2.gz QDJGYMLYVBKFKZ-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741573 673762411 /nfs/dbraw/zinc/76/24/11/673762411.db2.gz GJABVUTYYNQTNS-HZPDHXFCSA-N 2 0 352.479 0.894 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967753 673771459 /nfs/dbraw/zinc/77/14/59/673771459.db2.gz YQUOUSYOVILKFD-HOCLYGCPSA-N 2 0 374.551 0.224 20 0 FCADRP O=S(=O)(Cc1ccccc1)N1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925569033 673793827 /nfs/dbraw/zinc/79/38/27/673793827.db2.gz NWDZFPHUBJEMDD-KRWDZBQOSA-N 2 0 353.488 0.559 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926380091 673827995 /nfs/dbraw/zinc/82/79/95/673827995.db2.gz KVMPBLNZNIJJEJ-AWEZNQCLSA-N 2 0 352.504 0.836 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC000927637130 673873293 /nfs/dbraw/zinc/87/32/93/673873293.db2.gz NSLPQZZROTXJPM-HLLBOEOZSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637133 673873539 /nfs/dbraw/zinc/87/35/39/673873539.db2.gz NSLPQZZROTXJPM-YQQAZPJKSA-N 2 0 354.495 0.336 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)CCC1(CCC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928552507 673919298 /nfs/dbraw/zinc/91/92/98/673919298.db2.gz VGPOMVOMXHLRBK-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000929506806 673959908 /nfs/dbraw/zinc/95/99/08/673959908.db2.gz QBBXRZBXBAHCJN-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001020171187 675436198 /nfs/dbraw/zinc/43/61/98/675436198.db2.gz RCBFLSFMBLOLKO-DTZQCDIJSA-N 2 0 357.520 0.388 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCCO)CC3)CC[N@@H+]1C ZINC001045672273 675656786 /nfs/dbraw/zinc/65/67/86/675656786.db2.gz PMVMDCTVJGTPFK-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](CC(N)=O)C3)C2)CC[N@@H+]1C ZINC001045939135 675673941 /nfs/dbraw/zinc/67/39/41/675673941.db2.gz WFIPKVNLMBRJPB-FRQCXROJSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438322 675681655 /nfs/dbraw/zinc/68/16/55/675681655.db2.gz CFLMSNKRMIKITL-FOIPXRHGSA-N 2 0 351.491 0.857 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000900585543 675697132 /nfs/dbraw/zinc/69/71/32/675697132.db2.gz SVTGBXVOIZASLC-SFHVURJKSA-N 2 0 354.539 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001046329257 675708863 /nfs/dbraw/zinc/70/88/63/675708863.db2.gz NGLLWLGMUNREAA-GPMSIDNRSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000901137275 675762786 /nfs/dbraw/zinc/76/27/86/675762786.db2.gz JOBPMAZEOYZQAK-SFHVURJKSA-N 2 0 354.539 0.756 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386334 675796088 /nfs/dbraw/zinc/79/60/88/675796088.db2.gz QSINYTKMKGNDRN-MHORFTMASA-N 2 0 353.507 0.647 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969221011 1167822273 /nfs/dbraw/zinc/82/22/73/1167822273.db2.gz NBWASZIFIVJMFZ-XKQJLSEDSA-N 2 0 371.441 0.120 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969223602 1167823197 /nfs/dbraw/zinc/82/31/97/1167823197.db2.gz MEEZRXMCBBLVJL-IKGGRYGDSA-N 2 0 371.441 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000969312310 1167870205 /nfs/dbraw/zinc/87/02/05/1167870205.db2.gz DRWDBIWTBGICKW-NRSFXHEJSA-N 2 0 362.518 0.870 20 0 FCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC000969430350 1167951465 /nfs/dbraw/zinc/95/14/65/1167951465.db2.gz ZOZMVLUOIHDQHY-QKPAOTATSA-N 2 0 369.469 0.811 20 0 FCADRP Cc1nc(C)c(C)c(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001125299768 1167985675 /nfs/dbraw/zinc/98/56/75/1167985675.db2.gz WZPQSOCRTBFXEG-DJIMGWMZSA-N 2 0 363.506 0.998 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001719583810 1168456412 /nfs/dbraw/zinc/45/64/12/1168456412.db2.gz SWZCQCXBXPWHKW-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP COC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000891170774 1169437681 /nfs/dbraw/zinc/43/76/81/1169437681.db2.gz MUWYJJQJLPDSMJ-BRSBDYLESA-N 2 0 370.538 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc3nsnc32)CC[N@@H+]1C ZINC001482731390 1192374668 /nfs/dbraw/zinc/37/46/68/1192374668.db2.gz UHMIEGBOIUYWEO-KWCYVHTRSA-N 2 0 363.487 0.598 20 0 FCADRP O=C(Cc1cnc[nH]1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]21 ZINC001083207747 1169778867 /nfs/dbraw/zinc/77/88/67/1169778867.db2.gz MLWVUISOIPMXBV-RCCFBDPRSA-N 2 0 362.474 0.805 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)c4cnc[nH]4)C[C@H]32)C1 ZINC001021698818 1169893180 /nfs/dbraw/zinc/89/31/80/1169893180.db2.gz HQNOUAWGFDQNLL-SOUVJXGZSA-N 2 0 359.474 0.698 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001021703958 1169898739 /nfs/dbraw/zinc/89/87/39/1169898739.db2.gz KOWMBDJGCVLUTB-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703867 1170108106 /nfs/dbraw/zinc/10/81/06/1170108106.db2.gz PCBCNWKDYPZELO-BFHYXJOUSA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H](O)C[N@H+](Cc1cccc(C[NH+](C[C@H](C)O)[C@H](C)CO)c1)[C@H](C)CO ZINC000276220766 1170360553 /nfs/dbraw/zinc/36/05/53/1170360553.db2.gz QOBJUSGOLXSYHG-TVFCKZIOSA-N 2 0 368.518 0.814 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001022105157 1170660152 /nfs/dbraw/zinc/66/01/52/1170660152.db2.gz RTTRQNNVBQRADK-ZQOQDGPXSA-N 2 0 362.449 0.929 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001022105156 1170660457 /nfs/dbraw/zinc/66/04/57/1170660457.db2.gz RTTRQNNVBQRADK-UFRBAHOGSA-N 2 0 362.449 0.929 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001022219326 1170767687 /nfs/dbraw/zinc/76/76/87/1170767687.db2.gz QTINZSFSRRLUJP-BBWFWOEESA-N 2 0 360.502 0.482 20 0 FCADRP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC001691229993 1170874980 /nfs/dbraw/zinc/87/49/80/1170874980.db2.gz OGMXPDHRDILCQF-LSDHHAIUSA-N 2 0 364.490 0.494 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805840 1170881130 /nfs/dbraw/zinc/88/11/30/1170881130.db2.gz RRZPVXVWAXQSHU-MSOLQXFVSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022353376 1170885148 /nfs/dbraw/zinc/88/51/48/1170885148.db2.gz NCUGGZQRQRQLPM-NNPSNHGLSA-N 2 0 362.518 0.870 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691263196 1170981116 /nfs/dbraw/zinc/98/11/16/1170981116.db2.gz IIQILRZGAICTSP-JKSUJKDBSA-N 2 0 371.547 0.782 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001691263328 1170985483 /nfs/dbraw/zinc/98/54/83/1170985483.db2.gz NOFBFIQZIPTPDH-HRCADAONSA-N 2 0 364.490 0.352 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001691263327 1170986501 /nfs/dbraw/zinc/98/65/01/1170986501.db2.gz NOFBFIQZIPTPDH-ARFHVFGLSA-N 2 0 364.490 0.352 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1)OC ZINC001691286533 1171040432 /nfs/dbraw/zinc/04/04/32/1171040432.db2.gz XOIZKBVZJPSEGU-OKZBNKHCSA-N 2 0 363.506 0.825 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001691287263 1171041374 /nfs/dbraw/zinc/04/13/74/1171041374.db2.gz IBLKYPRQYDBZMT-CGTJXYLNSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001691311673 1171068839 /nfs/dbraw/zinc/06/88/39/1171068839.db2.gz PWQVSHUHMGPRIH-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001691323329 1171095020 /nfs/dbraw/zinc/09/50/20/1171095020.db2.gz IMEFSPLUINOGEP-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001691330159 1171116644 /nfs/dbraw/zinc/11/66/44/1171116644.db2.gz GHVXVPQWVRUYIT-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](OCC)C1 ZINC001691335326 1171133994 /nfs/dbraw/zinc/13/39/94/1171133994.db2.gz BCLOYKQBEHUYED-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cnc[nH]1 ZINC001691372954 1171230828 /nfs/dbraw/zinc/23/08/28/1171230828.db2.gz ZERLUHLBASUPLT-OCCSQVGLSA-N 2 0 364.450 0.015 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)CC1 ZINC001022514308 1171350346 /nfs/dbraw/zinc/35/03/46/1171350346.db2.gz IRHKHACPWFJTDG-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022720015 1171811963 /nfs/dbraw/zinc/81/19/63/1171811963.db2.gz DXDFGQSCAAIENZ-YESZJQIVSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)c1nnnn1C ZINC001087208794 1171824289 /nfs/dbraw/zinc/82/42/89/1171824289.db2.gz WSHQCLHXJFADDN-FMKPAKJESA-N 2 0 363.510 0.830 20 0 FCADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001022748497 1171856739 /nfs/dbraw/zinc/85/67/39/1171856739.db2.gz ZMAOJYXLFMGJKA-LFDJNIOPSA-N 2 0 370.497 0.799 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000972236626 1171874133 /nfs/dbraw/zinc/87/41/33/1171874133.db2.gz GOFBGTUWQJFNGY-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC000972238972 1171877632 /nfs/dbraw/zinc/87/76/32/1171877632.db2.gz XFZCZCLBIWUCLI-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897632231 1192838194 /nfs/dbraw/zinc/83/81/94/1192838194.db2.gz MKENGGFKYCSVGJ-HOTGVXAUSA-N 2 0 361.490 0.965 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897717572 1192844151 /nfs/dbraw/zinc/84/41/51/1192844151.db2.gz UFCOFPZSGSYMSV-OAGGEKHMSA-N 2 0 359.474 0.718 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CCOCCO)CC[C@@H]2C1 ZINC001691558137 1192875387 /nfs/dbraw/zinc/87/53/87/1192875387.db2.gz RLEVWHVAHBUBLK-SQNIBIBYSA-N 2 0 353.507 0.650 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562495 1192879073 /nfs/dbraw/zinc/87/90/73/1192879073.db2.gz ZMNUXBUWEBLUHG-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892329809 1178888740 /nfs/dbraw/zinc/88/87/40/1178888740.db2.gz QVJNQDOQBFWRTN-KRWDZBQOSA-N 2 0 373.501 0.861 20 0 FCADRP CCN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)N(C)C ZINC001267250066 1179021884 /nfs/dbraw/zinc/02/18/84/1179021884.db2.gz DNJCREHUVCKRTO-MSOLQXFVSA-N 2 0 360.502 0.858 20 0 FCADRP CCN1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cnn(C)n2)C1 ZINC001087248234 1180010162 /nfs/dbraw/zinc/01/01/62/1180010162.db2.gz UUWVIQVJFPFCER-PVAVHDDUSA-N 2 0 364.494 0.253 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001023705604 1180128166 /nfs/dbraw/zinc/12/81/66/1180128166.db2.gz ACDOXVMUYWAMKT-OWCLPIDISA-N 2 0 366.506 0.031 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001211623524 1180212828 /nfs/dbraw/zinc/21/28/28/1180212828.db2.gz JOFJEVZETRKIAN-RCCFBDPRSA-N 2 0 360.502 0.999 20 0 FCADRP Cc1cnc2cc(C(=O)N[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]3O)ccn12 ZINC001023843160 1180388234 /nfs/dbraw/zinc/38/82/34/1180388234.db2.gz OCGDPDWASQPLDA-BZUAXINKSA-N 2 0 371.441 0.038 20 0 FCADRP Cc1cnc2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]3O)ccn12 ZINC001023843161 1180389191 /nfs/dbraw/zinc/38/91/91/1180389191.db2.gz OCGDPDWASQPLDA-OWCLPIDISA-N 2 0 371.441 0.038 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000080066419 1180398441 /nfs/dbraw/zinc/39/84/41/1180398441.db2.gz UHBMHEFZUQYDET-SFHVURJKSA-N 2 0 369.554 0.668 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]cn4)[C@@H]3C2)C1 ZINC000972738837 1180688651 /nfs/dbraw/zinc/68/86/51/1180688651.db2.gz IEVQADJIDPZKQD-BFYDXBDKSA-N 2 0 359.474 0.743 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024136658 1180864324 /nfs/dbraw/zinc/86/43/24/1180864324.db2.gz UKZCPPXEKQUIRH-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892452396 1181041272 /nfs/dbraw/zinc/04/12/72/1181041272.db2.gz ORYRJJNOJWUJKW-UHFFFAOYSA-N 2 0 363.506 0.868 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000892456233 1181052423 /nfs/dbraw/zinc/05/24/23/1181052423.db2.gz WXHHFLXBIMGWEI-XZZQLLPFSA-N 2 0 363.506 0.642 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCN2CCCC2=O)O1 ZINC001024505486 1181259257 /nfs/dbraw/zinc/25/92/57/1181259257.db2.gz DVKXOOUANYEZIT-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001112522372 1181276421 /nfs/dbraw/zinc/27/64/21/1181276421.db2.gz UZBHADSAGIYBAT-PXNSSMCTSA-N 2 0 362.518 0.779 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)C2)C1 ZINC000892520711 1181713488 /nfs/dbraw/zinc/71/34/88/1181713488.db2.gz RYXQHOMMHSOYEP-IBGZPJMESA-N 2 0 369.473 0.963 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)c2)nn1 ZINC000892522649 1181727270 /nfs/dbraw/zinc/72/72/70/1181727270.db2.gz JDTXTWCPUMZTPB-GOSISDBHSA-N 2 0 367.457 0.882 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001745258119 1181801337 /nfs/dbraw/zinc/80/13/37/1181801337.db2.gz FYAHJVMZKGWXHJ-OAGGEKHMSA-N 2 0 361.490 0.971 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)O1 ZINC000892543102 1181844176 /nfs/dbraw/zinc/84/41/76/1181844176.db2.gz CVNKSVZPJCZXGA-HOCLYGCPSA-N 2 0 361.446 0.597 20 0 FCADRP Cn1cnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000892543799 1181844655 /nfs/dbraw/zinc/84/46/55/1181844655.db2.gz IARJGLLCQCEAGV-UHFFFAOYSA-N 2 0 357.462 0.827 20 0 FCADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892545362 1181852661 /nfs/dbraw/zinc/85/26/61/1181852661.db2.gz VLUVTUADILFCBJ-HKUYNNGSSA-N 3 0 372.517 0.939 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)[NH+](C)C ZINC000972992143 1181856559 /nfs/dbraw/zinc/85/65/59/1181856559.db2.gz JPPCAFZZLXDDQI-KURKYZTESA-N 2 0 364.534 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4ccnc4)[C@@H]3C2)CC[N@@H+]1C ZINC000972999280 1181877377 /nfs/dbraw/zinc/87/73/77/1181877377.db2.gz AFZGKWFWBMHPLN-YYIAUSFCSA-N 2 0 359.474 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104621965 1182290837 /nfs/dbraw/zinc/29/08/37/1182290837.db2.gz OWGWPPJRINNCTC-UKRRQHHQSA-N 2 0 364.494 0.024 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001104621606 1182291715 /nfs/dbraw/zinc/29/17/15/1182291715.db2.gz IFXDJAPDZHWOBL-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001104680921 1182362329 /nfs/dbraw/zinc/36/23/29/1182362329.db2.gz ZHHQDHOXJYWPJX-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211649245 1182432565 /nfs/dbraw/zinc/43/25/65/1182432565.db2.gz YEKOAMFJJMNLDT-INDMIFKZSA-N 2 0 361.486 0.672 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@H]2[NH3+])cn1 ZINC000892755966 1182479485 /nfs/dbraw/zinc/47/94/85/1182479485.db2.gz LZHYHZWGAVBNCZ-HRCADAONSA-N 2 0 362.478 0.015 20 0 FCADRP CC(C)OCCN1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892773254 1182495054 /nfs/dbraw/zinc/49/50/54/1182495054.db2.gz BXSFQIBKDBOTFF-KRWDZBQOSA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000892774465 1182499439 /nfs/dbraw/zinc/49/94/39/1182499439.db2.gz RGXXJVTXCLOXHR-QGZVFWFLSA-N 2 0 366.506 0.651 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001112522825 1182614302 /nfs/dbraw/zinc/61/43/02/1182614302.db2.gz PHWUMOBQXCKIIJ-SCTDSRPQSA-N 2 0 363.506 0.414 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892935797 1182622284 /nfs/dbraw/zinc/62/22/84/1182622284.db2.gz UELXURUSZMBGQI-QGZVFWFLSA-N 2 0 367.538 0.696 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001025683100 1182677790 /nfs/dbraw/zinc/67/77/90/1182677790.db2.gz HKHKTTYTYOOULS-KBRIMQKVSA-N 2 0 371.441 0.120 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795220 1182846994 /nfs/dbraw/zinc/84/69/94/1182846994.db2.gz ZFEPDECOLAINCV-PVWHLQNVSA-N 2 0 362.518 0.772 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054422 1182869933 /nfs/dbraw/zinc/86/99/33/1182869933.db2.gz WWHGCLBDOVITAY-QGZVFWFLSA-N 2 0 367.538 0.424 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908033 1182990623 /nfs/dbraw/zinc/99/06/23/1182990623.db2.gz GABSWBCLNQUBIA-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001104908976 1182991971 /nfs/dbraw/zinc/99/19/71/1182991971.db2.gz QXVQFGYXMJSOJE-BZUAXINKSA-N 2 0 371.489 0.816 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104924706 1183000340 /nfs/dbraw/zinc/00/03/40/1183000340.db2.gz RJCWSRLTUMMTOI-IAGOWNOFSA-N 2 0 367.538 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001105008137 1183066375 /nfs/dbraw/zinc/06/63/75/1183066375.db2.gz RLOOFEHXDPHZCB-BZUAXINKSA-N 2 0 366.485 0.774 20 0 FCADRP C[C@H](O)CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244266 1183154532 /nfs/dbraw/zinc/15/45/32/1183154532.db2.gz UFMYXLHIFJGFBG-JJRVBVJISA-N 2 0 364.494 0.252 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001691766612 1183243580 /nfs/dbraw/zinc/24/35/80/1183243580.db2.gz XVPWIQHIQQKXHS-RRFJBIMHSA-N 2 0 356.511 0.291 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@H]2CCN(C(=O)CCn3ccnc3)C[C@H]21 ZINC000974540611 1183313005 /nfs/dbraw/zinc/31/30/05/1183313005.db2.gz GFJREXUSCBSNMK-HZPDHXFCSA-N 2 0 356.430 0.538 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)[NH+](C)C ZINC000974583214 1183362443 /nfs/dbraw/zinc/36/24/43/1183362443.db2.gz HAAIRTRXVLVNEP-BRWVUGGUSA-N 2 0 362.518 0.728 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523533 1183415915 /nfs/dbraw/zinc/41/59/15/1183415915.db2.gz ZHCMMJJJRIEVOZ-KSSFIOAISA-N 2 0 367.494 0.002 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001026855691 1183424691 /nfs/dbraw/zinc/42/46/91/1183424691.db2.gz LMOPLWHOLLLPGE-OWCLPIDISA-N 2 0 363.510 0.752 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000974692854 1183451607 /nfs/dbraw/zinc/45/16/07/1183451607.db2.gz KMDLCBVKIKKHKX-FRFSOERESA-N 2 0 359.474 0.662 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](CNCc3noc(C4CC4)n3)C2)O1 ZINC001026913477 1183488929 /nfs/dbraw/zinc/48/89/29/1183488929.db2.gz AGNQDCZEBUDSRJ-VNHYZAJKSA-N 2 0 363.462 0.604 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211740 1183774758 /nfs/dbraw/zinc/77/47/58/1183774758.db2.gz RVHREGZCQOGHHB-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975821910 1185819133 /nfs/dbraw/zinc/81/91/33/1185819133.db2.gz NIYYYOKVHKYMHE-ULQDDVLXSA-N 2 0 360.502 0.626 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+][C@@H]3CCNC3=O)cc2)CC[N@@H+]1C ZINC001027254980 1185834751 /nfs/dbraw/zinc/83/47/51/1185834751.db2.gz WGRCGWSATCIQSD-ZTFGCOKTSA-N 2 0 358.486 0.664 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(CC(=O)NC3CCOCC3)CC2)CC[N@@H+]1C ZINC000981194500 1186347228 /nfs/dbraw/zinc/34/72/28/1186347228.db2.gz SGTNIYAIXAMBNI-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000981412047 1186415525 /nfs/dbraw/zinc/41/55/25/1186415525.db2.gz FGFBNBFXQXMJAE-CGTJXYLNSA-N 2 0 362.518 0.825 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)CC1 ZINC000981774682 1186515813 /nfs/dbraw/zinc/51/58/13/1186515813.db2.gz FVZFSFVBRQZONH-MSOLQXFVSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776219 1186516696 /nfs/dbraw/zinc/51/66/96/1186516696.db2.gz HUZXJSGVNDCESP-BFYDXBDKSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613931 1186653489 /nfs/dbraw/zinc/65/34/89/1186653489.db2.gz VLWZGUPIFMMMTE-RCCFBDPRSA-N 2 0 356.470 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000982822009 1187737438 /nfs/dbraw/zinc/73/74/38/1187737438.db2.gz XRROJLCKMXWJRN-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000982929357 1187800627 /nfs/dbraw/zinc/80/06/27/1187800627.db2.gz BKDLRCOKXVDURP-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423246734 1187851709 /nfs/dbraw/zinc/85/17/09/1187851709.db2.gz PWEJMWUUOOPRAD-UHFFFAOYSA-N 2 0 358.486 0.789 20 0 FCADRP CN(CC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1)C(N)=[NH2+] ZINC001269992485 1187961323 /nfs/dbraw/zinc/96/13/23/1187961323.db2.gz MLJWLCLCFHQHPF-OKILXGFUSA-N 2 0 360.462 0.283 20 0 FCADRP C[NH+](C)CCC(=O)NC12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001270061532 1187985093 /nfs/dbraw/zinc/98/50/93/1187985093.db2.gz JRXBDGJWSYMJFD-UHFFFAOYSA-N 2 0 362.478 0.374 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001270061585 1187985882 /nfs/dbraw/zinc/98/58/82/1187985882.db2.gz KWVLVEWBPYPGLV-HNNXBMFYSA-N 2 0 362.478 0.183 20 0 FCADRP C[NH+]1CCC(CC(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)CC1 ZINC001270119244 1188020033 /nfs/dbraw/zinc/02/00/33/1188020033.db2.gz OQFLOLXFNHLZRQ-UHFFFAOYSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000398086379 1188029524 /nfs/dbraw/zinc/02/95/24/1188029524.db2.gz ULFHIDOPIYZKKN-PVAVHDDUSA-N 2 0 367.515 0.775 20 0 FCADRP Cn1cncc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270155694 1188033966 /nfs/dbraw/zinc/03/39/66/1188033966.db2.gz QGHWOFRFFBQPGL-QFBILLFUSA-N 2 0 359.474 0.998 20 0 FCADRP O=C(CCc1ncc[nH]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075744335 1188060550 /nfs/dbraw/zinc/06/05/50/1188060550.db2.gz KRNYGOYDVXEDBI-SOUVJXGZSA-N 2 0 355.446 0.654 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030736 1188212854 /nfs/dbraw/zinc/21/28/54/1188212854.db2.gz MQWNRXLZXPHMRD-MAUKXSAKSA-N 2 0 374.485 0.767 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)Cc1ccccc1 ZINC000550136467 1188233175 /nfs/dbraw/zinc/23/31/75/1188233175.db2.gz FSECUTPZWKJHST-KRWDZBQOSA-N 2 0 369.469 0.952 20 0 FCADRP CCOC(=O)Cn1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894581341 1188234743 /nfs/dbraw/zinc/23/47/43/1188234743.db2.gz OZEBQCIACUYNPY-IYBDPMFKSA-N 2 0 372.473 0.840 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC000983713880 1188280465 /nfs/dbraw/zinc/28/04/65/1188280465.db2.gz NBIQNMORWMFLRB-YHUYYLMFSA-N 2 0 363.510 0.969 20 0 FCADRP CC(=O)N1CC(=O)NC[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167991392 1188341490 /nfs/dbraw/zinc/34/14/90/1188341490.db2.gz AFKPDXWXSDJWOI-WMWLNJEOSA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000550372597 1188343189 /nfs/dbraw/zinc/34/31/89/1188343189.db2.gz NKHTTZBJQMCXSE-UHFFFAOYSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCc3ncnn32)CC[N@@H+]1C ZINC001029314073 1189374266 /nfs/dbraw/zinc/37/42/66/1189374266.db2.gz ZVCKGJNVPYQIMH-NQNKBUKLSA-N 2 0 358.490 0.781 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550458516 1189504411 /nfs/dbraw/zinc/50/44/11/1189504411.db2.gz ZDFDIAFVCJANNB-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075810702 1189530210 /nfs/dbraw/zinc/53/02/10/1189530210.db2.gz SJJDQKMFSYCDJQ-XMTFNYHQSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840002504 1189807302 /nfs/dbraw/zinc/80/73/02/1189807302.db2.gz DLVNYGJDXYBYEO-GBESFXJTSA-N 2 0 370.497 0.944 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271140562 1189810811 /nfs/dbraw/zinc/81/08/11/1189810811.db2.gz TYPCHCHCDYJKEW-BEFAXECRSA-N 2 0 364.490 0.400 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895463699 1189859174 /nfs/dbraw/zinc/85/91/74/1189859174.db2.gz ANESIKBLOAQPNC-RTBURBONSA-N 2 0 359.470 0.724 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895851935 1189888065 /nfs/dbraw/zinc/88/80/65/1189888065.db2.gz ZVHGOCDERJUIFW-SQNIBIBYSA-N 2 0 366.506 0.480 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)cc1=O ZINC001087908545 1189894389 /nfs/dbraw/zinc/89/43/89/1189894389.db2.gz FUFOFCRNOGVVQE-FGTMMUONSA-N 2 0 358.486 0.760 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]2C1 ZINC001087964300 1190009989 /nfs/dbraw/zinc/00/99/89/1190009989.db2.gz GAWRSLXPPZLXBV-IKGGRYGDSA-N 2 0 360.506 0.968 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087967982 1190024761 /nfs/dbraw/zinc/02/47/61/1190024761.db2.gz VBWCVOVNUDAUFX-FGTMMUONSA-N 2 0 358.490 0.400 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1)C1CC1 ZINC001087992385 1190142228 /nfs/dbraw/zinc/14/22/28/1190142228.db2.gz RPRKLKVPSBWOQY-CVEARBPZSA-N 2 0 362.518 0.872 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@@H]3C2)C1=O ZINC001088041847 1190300394 /nfs/dbraw/zinc/30/03/94/1190300394.db2.gz MBHQEBFSXAOVLZ-HFTRVMKXSA-N 2 0 367.453 0.959 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083903 1190478281 /nfs/dbraw/zinc/47/82/81/1190478281.db2.gz OGCRPTHBVNVSGP-LZWOXQAQSA-N 2 0 362.474 0.870 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088106371 1190588730 /nfs/dbraw/zinc/58/87/30/1190588730.db2.gz XWJZBKRBHUYRJL-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105978 1190592574 /nfs/dbraw/zinc/59/25/74/1190592574.db2.gz JWWOVWQFLJSKEU-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088110221 1190600844 /nfs/dbraw/zinc/60/08/44/1190600844.db2.gz QXSOTEOGDDTKIF-PMPSAXMXSA-N 2 0 364.490 0.256 20 0 FCADRP O=C(Cc1cnc[nH]1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088121700 1190615439 /nfs/dbraw/zinc/61/54/39/1190615439.db2.gz SEYZVVBNHGVBRB-CVEARBPZSA-N 2 0 359.474 0.745 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000985164732 1190661853 /nfs/dbraw/zinc/66/18/53/1190661853.db2.gz VZTQQMMNDMNHTB-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1 ZINC000986125296 1190898718 /nfs/dbraw/zinc/89/87/18/1190898718.db2.gz AROZFPLJZUXBHI-KURKYZTESA-N 2 0 362.518 0.587 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]3C2)CCC1 ZINC000986256648 1190933280 /nfs/dbraw/zinc/93/32/80/1190933280.db2.gz KGDSLMCHCRGAMW-IKGGRYGDSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)[NH+](C)C ZINC000986336145 1190951263 /nfs/dbraw/zinc/95/12/63/1190951263.db2.gz FWDWHUGQPBYBHC-SQNIBIBYSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1)[NH+](C)C ZINC000986426325 1190987641 /nfs/dbraw/zinc/98/76/41/1190987641.db2.gz ZYSZJFYAIYZKQO-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986482667 1191006471 /nfs/dbraw/zinc/00/64/71/1191006471.db2.gz LVWYDCUZBMLZTA-XDNAFOTISA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(CN(C)Cc3cn(C)nn3)CC2)O1 ZINC001029973785 1191057418 /nfs/dbraw/zinc/05/74/18/1191057418.db2.gz NZFPQYCFGWIRCK-RHSMWYFYSA-N 2 0 364.494 0.205 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001217932874 1224132421 /nfs/dbraw/zinc/13/24/21/1224132421.db2.gz PIUKRTPMIQWDBD-DLBZAZTESA-N 2 0 365.478 0.006 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691589423 1193757040 /nfs/dbraw/zinc/75/70/40/1193757040.db2.gz PDGIIIAVHXUNOP-UAGQMJEPSA-N 2 0 350.507 0.727 20 0 FCADRP COc1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465517 1193765248 /nfs/dbraw/zinc/76/52/48/1193765248.db2.gz HUYKZMIBXJERQW-QRVBRYPASA-N 2 0 359.470 0.698 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000550782147 1193793609 /nfs/dbraw/zinc/79/36/09/1193793609.db2.gz RZAFCRJVSKXGLF-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550876223 1193818106 /nfs/dbraw/zinc/81/81/06/1193818106.db2.gz BJJKERFIMZABCT-UHFFFAOYSA-N 2 0 369.554 0.175 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000550956521 1193822179 /nfs/dbraw/zinc/82/21/79/1193822179.db2.gz DZGLTRJCBUZLCM-KRWDZBQOSA-N 2 0 368.522 0.548 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000551077733 1193832014 /nfs/dbraw/zinc/83/20/14/1193832014.db2.gz TVKMZCJURFVSIC-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000551151917 1193835903 /nfs/dbraw/zinc/83/59/03/1193835903.db2.gz LDXHGLMECWJUGL-HOTGVXAUSA-N 2 0 369.554 0.079 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658758 1193861373 /nfs/dbraw/zinc/86/13/73/1193861373.db2.gz JOBWOVDSKCUISD-LTDCPUDJSA-N 2 0 368.522 0.040 20 0 FCADRP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000551931187 1193877179 /nfs/dbraw/zinc/87/71/79/1193877179.db2.gz KWJVXAJWBUNJIQ-LWYYNNOASA-N 2 0 366.550 0.576 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000552191192 1193913821 /nfs/dbraw/zinc/91/38/21/1193913821.db2.gz XBNHNDOHCZFAJV-HYVNUMGLSA-N 2 0 368.522 0.327 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2cccnc21 ZINC000552534359 1193939692 /nfs/dbraw/zinc/93/96/92/1193939692.db2.gz UJUGYTCVVUEULE-UHFFFAOYSA-N 2 0 371.485 0.803 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105668050 1193946469 /nfs/dbraw/zinc/94/64/69/1193946469.db2.gz HCJNIPAHPYKXAZ-VVWQDTPRSA-N 2 0 368.522 0.040 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552748848 1193949899 /nfs/dbraw/zinc/94/98/99/1193949899.db2.gz KPVHLIUVPIOZBT-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000552748800 1193949965 /nfs/dbraw/zinc/94/99/65/1193949965.db2.gz IWXBHCFLTBJFMH-OAHLLOKOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000553025319 1193965582 /nfs/dbraw/zinc/96/55/82/1193965582.db2.gz WWSWISZXWSMDNG-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP Nc1cn(C(=O)c2ccccc2C[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619661 1224183189 /nfs/dbraw/zinc/18/31/89/1224183189.db2.gz JHJJEENCXXMQRT-UHFFFAOYSA-N 2 0 355.442 0.450 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000553366017 1193993073 /nfs/dbraw/zinc/99/30/73/1193993073.db2.gz FEBPLJUHMOCGAU-JKSUJKDBSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734987 1194018736 /nfs/dbraw/zinc/01/87/36/1194018736.db2.gz NRZBMFBVWXRRSP-SJORKVTESA-N 2 0 366.506 0.014 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001218639770 1224186909 /nfs/dbraw/zinc/18/69/09/1224186909.db2.gz BOYMHXQREYTXCN-SFHVURJKSA-N 2 0 366.469 0.688 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188613 1194085009 /nfs/dbraw/zinc/08/50/09/1194085009.db2.gz IZPAQJVZCVOPMF-PXNSSMCTSA-N 2 0 374.485 0.119 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191461 1194086259 /nfs/dbraw/zinc/08/62/59/1194086259.db2.gz XVKNSSOBQVDQPV-PXNSSMCTSA-N 2 0 358.486 0.822 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228929 1194108386 /nfs/dbraw/zinc/10/83/86/1194108386.db2.gz CNLASKUIDUYQJT-SFHVURJKSA-N 2 0 360.502 0.994 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000842228553 1194109198 /nfs/dbraw/zinc/10/91/98/1194109198.db2.gz JSXCERZKPNRUFI-UHFFFAOYSA-N 2 0 358.486 0.891 20 0 FCADRP Nc1cccnc1N(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C1CC[NH2+]CC1 ZINC001218696267 1224198532 /nfs/dbraw/zinc/19/85/32/1224198532.db2.gz QFWAOEPWYPBMQQ-HNNXBMFYSA-N 2 0 360.462 0.089 20 0 FCADRP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218709273 1224201259 /nfs/dbraw/zinc/20/12/59/1224201259.db2.gz JDBZXANUAQKGCT-HNNXBMFYSA-N 2 0 357.389 0.946 20 0 FCADRP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218718173 1224203958 /nfs/dbraw/zinc/20/39/58/1224203958.db2.gz MOKFTDWDCGFUQK-KBPBESRZSA-N 2 0 363.462 0.135 20 0 FCADRP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001218735120 1224207965 /nfs/dbraw/zinc/20/79/65/1224207965.db2.gz OKIGKSQZEPMDGB-MRXNPFEDSA-N 2 0 374.489 0.198 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243626 1194370473 /nfs/dbraw/zinc/37/04/73/1194370473.db2.gz AIDUWLLFFSXGHT-OWCLPIDISA-N 2 0 362.474 0.010 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243972 1194370513 /nfs/dbraw/zinc/37/05/13/1194370513.db2.gz JZDBUOFSPRSJNT-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324638 1194396482 /nfs/dbraw/zinc/39/64/82/1194396482.db2.gz XCVNRYPRDQQNMV-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001076324494 1194396714 /nfs/dbraw/zinc/39/67/14/1194396714.db2.gz VIBPLXYMBDUOKJ-FUHWJXTLSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1noc(CN2CC[C@]3(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)n1 ZINC001276795411 1224218906 /nfs/dbraw/zinc/21/89/06/1224218906.db2.gz IQNWEPJJYACGRV-KDOFPFPSSA-N 2 0 365.478 0.551 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccn2nccc12 ZINC001218788585 1224219976 /nfs/dbraw/zinc/21/99/76/1224219976.db2.gz QHMKBIGWAIQVAQ-BBRMVZONSA-N 2 0 358.446 0.720 20 0 FCADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076447172 1194501580 /nfs/dbraw/zinc/50/15/80/1194501580.db2.gz UQIVJGUTUJGINT-RCCFBDPRSA-N 2 0 360.502 0.530 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218820032 1224231383 /nfs/dbraw/zinc/23/13/83/1224231383.db2.gz UYPAUDRLDDJYDL-FGTMMUONSA-N 2 0 369.506 0.435 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874916 1224243434 /nfs/dbraw/zinc/24/34/34/1224243434.db2.gz ZTBRSAXLPSLFSS-UHFFFAOYSA-N 2 0 362.478 0.393 20 0 FCADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)cc1 ZINC001218896064 1224251311 /nfs/dbraw/zinc/25/13/11/1224251311.db2.gz MITMSPKFBZZUPT-HNNXBMFYSA-N 2 0 369.473 0.799 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2O)n1 ZINC001077014201 1195148561 /nfs/dbraw/zinc/14/85/61/1195148561.db2.gz ISIAFWIXVTVYHO-QZTJIDSGSA-N 2 0 363.506 0.800 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2O)n1 ZINC001077014376 1195148688 /nfs/dbraw/zinc/14/86/88/1195148688.db2.gz SSPBZTHVQMPEDJ-QZTJIDSGSA-N 2 0 363.506 0.800 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077027271 1195157303 /nfs/dbraw/zinc/15/73/03/1195157303.db2.gz FOMOIWKFNYNCPK-BSDSXHPESA-N 2 0 363.506 0.337 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077131615 1195248208 /nfs/dbraw/zinc/24/82/08/1195248208.db2.gz ILSRFASXLRWLCW-RCCFBDPRSA-N 2 0 363.506 0.387 20 0 FCADRP C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218943750 1224268719 /nfs/dbraw/zinc/26/87/19/1224268719.db2.gz ACEMGDODJGDCGB-BLLLJJGKSA-N 2 0 372.473 0.236 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996797 1224281484 /nfs/dbraw/zinc/28/14/84/1224281484.db2.gz AMWNZETZKSIBGB-ZBFHGGJFSA-N 2 0 362.474 0.961 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366655 1195466060 /nfs/dbraw/zinc/46/60/60/1195466060.db2.gz UKSHAEMLEYTJHV-BMGDILEWSA-N 2 0 371.441 0.469 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417937 1195515979 /nfs/dbraw/zinc/51/59/79/1195515979.db2.gz FFYFCWKXOSFZLV-SYJBPTKTSA-N 2 0 361.486 0.511 20 0 FCADRP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417802 1195516044 /nfs/dbraw/zinc/51/60/44/1195516044.db2.gz AVANFNWAYHQMCJ-ARCLZCIDSA-N 2 0 371.481 0.520 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580089 1195528245 /nfs/dbraw/zinc/52/82/45/1195528245.db2.gz PNWYIROTRXIPDO-QRQLOZEOSA-N 2 0 354.454 0.850 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905046416 1195572067 /nfs/dbraw/zinc/57/20/67/1195572067.db2.gz ADFOGQMGVZSYQZ-UXHICEINSA-N 2 0 363.502 0.426 20 0 FCADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)c2ccccc2)CC1 ZINC000905088842 1195573296 /nfs/dbraw/zinc/57/32/96/1195573296.db2.gz KYGPZIFWXOYCEO-HSALFYBXSA-N 2 0 363.502 0.467 20 0 FCADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)c2ccccc2)CC1 ZINC000905088844 1195573654 /nfs/dbraw/zinc/57/36/54/1195573654.db2.gz KYGPZIFWXOYCEO-UFYCRDLUSA-N 2 0 363.502 0.467 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591117 1195586342 /nfs/dbraw/zinc/58/63/42/1195586342.db2.gz LVPKBACDJRSDKE-OLMNPRSZSA-N 2 0 358.442 0.844 20 0 FCADRP O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221903 1195617237 /nfs/dbraw/zinc/61/72/37/1195617237.db2.gz XHLBEBHTUTZNGV-SJORKVTESA-N 2 0 361.490 0.721 20 0 FCADRP COC(=O)CCN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906219238 1195617538 /nfs/dbraw/zinc/61/75/38/1195617538.db2.gz QZAQXCQMRYCUOW-OAHLLOKOSA-N 2 0 363.462 0.058 20 0 FCADRP CN1C(=O)CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906470254 1195631479 /nfs/dbraw/zinc/63/14/79/1195631479.db2.gz AWUVBCLCNKUZGP-KRWDZBQOSA-N 2 0 359.474 0.721 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000906646986 1195641208 /nfs/dbraw/zinc/64/12/08/1195641208.db2.gz ZTRWVGQJMKRATH-UHFFFAOYSA-N 2 0 359.474 0.324 20 0 FCADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000906785105 1195664435 /nfs/dbraw/zinc/66/44/35/1195664435.db2.gz DVBSIIVRXWGARN-FXAWDEMLSA-N 2 0 374.529 0.886 20 0 FCADRP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000907350514 1195690429 /nfs/dbraw/zinc/69/04/29/1195690429.db2.gz FNCNSLRVAKMTKR-KKUMJFAQSA-N 2 0 368.522 0.325 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)(N2CCOCC2)CC1 ZINC000910406480 1195813907 /nfs/dbraw/zinc/81/39/07/1195813907.db2.gz SNBXCNPROAQHMN-MSOLQXFVSA-N 2 0 364.534 0.916 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910836694 1195849067 /nfs/dbraw/zinc/84/90/67/1195849067.db2.gz IUJZFBAXAIDOAL-MRXNPFEDSA-N 2 0 359.474 0.719 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[NH+](C)C)c1 ZINC000910963119 1195869086 /nfs/dbraw/zinc/86/90/86/1195869086.db2.gz QGKVVEKBCHHGKZ-YOEHRIQHSA-N 2 0 362.474 0.611 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[NH+](C)C)c1 ZINC000910963117 1195869156 /nfs/dbraw/zinc/86/91/56/1195869156.db2.gz QGKVVEKBCHHGKZ-RHSMWYFYSA-N 2 0 362.474 0.611 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[NH+](C)C)c1 ZINC000910963118 1195869279 /nfs/dbraw/zinc/86/92/79/1195869279.db2.gz QGKVVEKBCHHGKZ-WMLDXEAASA-N 2 0 362.474 0.611 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961196 1195869376 /nfs/dbraw/zinc/86/93/76/1195869376.db2.gz BDYLPYMGRKAHTB-QZTJIDSGSA-N 2 0 360.502 0.924 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911123287 1195892711 /nfs/dbraw/zinc/89/27/11/1195892711.db2.gz HBQNBHJRRBVQDW-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911148921 1195898939 /nfs/dbraw/zinc/89/89/39/1195898939.db2.gz SVTKTSPIJXXSFJ-SFHVURJKSA-N 2 0 358.486 0.809 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000911156119 1195899223 /nfs/dbraw/zinc/89/92/23/1195899223.db2.gz BBHQCHIWZVZESY-OAHLLOKOSA-N 2 0 358.486 0.399 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000911204452 1195913292 /nfs/dbraw/zinc/91/32/92/1195913292.db2.gz DNIREXSJIALHIJ-KRWDZBQOSA-N 2 0 374.485 0.209 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911253801 1195927244 /nfs/dbraw/zinc/92/72/44/1195927244.db2.gz ARTIJNSDKWDSLZ-OAHLLOKOSA-N 2 0 368.522 0.640 20 0 FCADRP O=C(c1ccc2c(n1)C[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911705591 1196308983 /nfs/dbraw/zinc/30/89/83/1196308983.db2.gz NKEPBFIMLOUVOK-OAHLLOKOSA-N 2 0 357.458 0.011 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](CC3CCOCC3)C2)CC1 ZINC001030328630 1196679707 /nfs/dbraw/zinc/67/97/07/1196679707.db2.gz QRJOKIMXOJTDAS-MOPGFXCFSA-N 2 0 365.518 0.960 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736326 1196735384 /nfs/dbraw/zinc/73/53/84/1196735384.db2.gz AIIQCGGZJUTVLB-MJGOQNOKSA-N 2 0 358.486 0.905 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219132318 1224363701 /nfs/dbraw/zinc/36/37/01/1224363701.db2.gz MUIWDFBONWJMGW-RYUDHWBXSA-N 2 0 366.437 0.995 20 0 FCADRP COc1ccc(N)c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219142823 1224366483 /nfs/dbraw/zinc/36/64/83/1224366483.db2.gz XTJNETMXZXHLFX-HOCLYGCPSA-N 2 0 363.462 0.663 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc2c(c1)nnn2C ZINC001089037726 1196872359 /nfs/dbraw/zinc/87/23/59/1196872359.db2.gz PAKYOIOVPADHSC-BMFZPTHFSA-N 2 0 356.474 0.999 20 0 FCADRP C[NH+]1CCN(c2ccnc(NC(=O)C3C[NH+](C4CCOCC4)C3)c2)CC1 ZINC000913665344 1197101346 /nfs/dbraw/zinc/10/13/46/1197101346.db2.gz VJQPWCLQYPCTFL-UHFFFAOYSA-N 2 0 359.474 0.883 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142943 1197290314 /nfs/dbraw/zinc/29/03/14/1197290314.db2.gz FLQGJBBJDHAELW-NXHRZFHOSA-N 2 0 364.534 0.881 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000992687481 1197302560 /nfs/dbraw/zinc/30/25/60/1197302560.db2.gz KFZGJFKWMGRYPK-UWVAXJGDSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145543 1197307134 /nfs/dbraw/zinc/30/71/34/1197307134.db2.gz AKMUJFSAXNPISZ-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219300980 1224419433 /nfs/dbraw/zinc/41/94/33/1224419433.db2.gz CTUDRXVCDAVZBQ-ZDUSSCGKSA-N 2 0 367.425 0.671 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106196175 1197629165 /nfs/dbraw/zinc/62/91/65/1197629165.db2.gz VKCJQHJRTMJOHH-BFYDXBDKSA-N 2 0 370.513 0.971 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106198532 1197660801 /nfs/dbraw/zinc/66/08/01/1197660801.db2.gz DTLUGMWWXJOVTO-OAGGEKHMSA-N 2 0 371.501 0.376 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085217883 1197692908 /nfs/dbraw/zinc/69/29/08/1197692908.db2.gz WCINTYWHSDTJLV-ZACQAIPSSA-N 2 0 365.522 0.903 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC000993031649 1197697945 /nfs/dbraw/zinc/69/79/45/1197697945.db2.gz LYOQIVGFBHFSKI-KPFFTGBYSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C ZINC001085225243 1197700576 /nfs/dbraw/zinc/70/05/76/1197700576.db2.gz OCSCJBWWTSVDRC-BZUAXINKSA-N 2 0 363.510 0.990 20 0 FCADRP CCN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371067 1197800038 /nfs/dbraw/zinc/80/00/38/1197800038.db2.gz GZHCMHHMOUWADA-NVXWUHKLSA-N 2 0 368.522 0.090 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282142 1197826148 /nfs/dbraw/zinc/82/61/48/1197826148.db2.gz VEZJLEPMIAGGDU-ZACQAIPSSA-N 2 0 369.554 0.964 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106336495 1197868299 /nfs/dbraw/zinc/86/82/99/1197868299.db2.gz RDDHZZRGTVKBMU-HUUCEWRRSA-N 2 0 366.506 0.550 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106340249 1197870210 /nfs/dbraw/zinc/87/02/10/1197870210.db2.gz QBEYFWANIFVLNW-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP COC(=O)c1nn(C)c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)cc21 ZINC001219364950 1224442850 /nfs/dbraw/zinc/44/28/50/1224442850.db2.gz SIEKQBOQUPRNAV-ADLMAVQZSA-N 2 0 357.414 0.498 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106346676 1197873700 /nfs/dbraw/zinc/87/37/00/1197873700.db2.gz NHUCZIPLKJKHBW-NUJGCVRESA-N 2 0 364.490 0.599 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001106412884 1197908165 /nfs/dbraw/zinc/90/81/65/1197908165.db2.gz ZOMRUUKRCWBDJU-FMKPAKJESA-N 2 0 370.457 0.829 20 0 FCADRP Cc1nccn1-c1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cn1 ZINC000737262418 1197963982 /nfs/dbraw/zinc/96/39/82/1197963982.db2.gz KYUUFOVYFVEQFV-UHFFFAOYSA-N 2 0 356.430 0.972 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106591627 1198025927 /nfs/dbraw/zinc/02/59/27/1198025927.db2.gz HMYHHXBTCSOOLI-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001106621414 1198037856 /nfs/dbraw/zinc/03/78/56/1198037856.db2.gz JQFHWRMZFQUCMU-IIDMSEBBSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)CNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000742267909 1198170179 /nfs/dbraw/zinc/17/01/79/1198170179.db2.gz XDRJPLZAOQNZNH-MRXNPFEDSA-N 2 0 366.506 0.550 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403458 1198208934 /nfs/dbraw/zinc/20/89/34/1198208934.db2.gz HYSJFFVKCAXCJJ-DNVCBOLYSA-N 2 0 366.506 0.251 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1[NH2+][C@H]3CC[C@@H]1C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500594 1224489072 /nfs/dbraw/zinc/48/90/72/1224489072.db2.gz FHRGNJGKWDCMCQ-XLYNDAROSA-N 2 0 356.426 0.957 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1C[C@@H]3CC[C@H]1[NH2+]3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498541 1224488293 /nfs/dbraw/zinc/48/82/93/1224488293.db2.gz ZOVAWXRRMYXJCU-VNVDIYFQSA-N 2 0 356.426 0.957 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])C1CCOCC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504271 1224491142 /nfs/dbraw/zinc/49/11/42/1224491142.db2.gz RWQRYKWKCUTUNB-QFBILLFUSA-N 2 0 374.441 0.571 20 0 FCADRP CC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1 ZINC001169547822 1199071833 /nfs/dbraw/zinc/07/18/33/1199071833.db2.gz WNINLLCKUUZRTJ-XUVXKRRUSA-N 2 0 364.534 0.868 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001219642370 1224543718 /nfs/dbraw/zinc/54/37/18/1224543718.db2.gz SGSOEKIWHPXRRB-PMPSAXMXSA-N 2 0 361.490 0.671 20 0 FCADRP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652375 1224546148 /nfs/dbraw/zinc/54/61/48/1224546148.db2.gz WABMYHVNTHDGFQ-IBQUMJASSA-N 2 0 363.506 0.966 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651868 1224546243 /nfs/dbraw/zinc/54/62/43/1224546243.db2.gz YQELTIFNQLQSCW-UGUYLWEFSA-N 2 0 368.522 0.482 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723124 1224575922 /nfs/dbraw/zinc/57/59/22/1224575922.db2.gz JDALPUYNAUTVMM-OALUTQOASA-N 4 0 373.545 0.671 20 0 FCADRP N[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727159 1224580066 /nfs/dbraw/zinc/58/00/66/1224580066.db2.gz YEVBSUYTYJDGKH-RXVVDRJESA-N 3 0 371.529 0.295 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219739566 1224587233 /nfs/dbraw/zinc/58/72/33/1224587233.db2.gz RJTNGVZXSMSMGS-SYNHAJSKSA-N 2 0 356.470 0.207 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744215 1224589023 /nfs/dbraw/zinc/58/90/23/1224589023.db2.gz VEJHTAGRXYHFJT-IRXDYDNUSA-N 2 0 374.485 0.090 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743967 1224589932 /nfs/dbraw/zinc/58/99/32/1224589932.db2.gz QAXPFKBOZUNFJR-CVEARBPZSA-N 2 0 367.490 0.664 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219747409 1224592170 /nfs/dbraw/zinc/59/21/70/1224592170.db2.gz UUNJFGHLJKGTSP-KRWDZBQOSA-N 2 0 373.461 0.017 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749682 1224593751 /nfs/dbraw/zinc/59/37/51/1224593751.db2.gz PWNJZXODPRJKKG-QGZVFWFLSA-N 2 0 356.430 0.283 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001219750277 1224596155 /nfs/dbraw/zinc/59/61/55/1224596155.db2.gz ZUDKXGPZQJCKDO-HOTGVXAUSA-N 2 0 354.458 0.781 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001109408696 1200256049 /nfs/dbraw/zinc/25/60/49/1200256049.db2.gz WXHZNUIPGLABBM-OWSLCNJRSA-N 2 0 361.490 0.450 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428245 1200270974 /nfs/dbraw/zinc/27/09/74/1200270974.db2.gz VHZNGDWYOQFHJK-OWSLCNJRSA-N 2 0 368.522 0.447 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)Cc1c[nH]c2ccccc12 ZINC001219764787 1224601136 /nfs/dbraw/zinc/60/11/36/1224601136.db2.gz LOWOFNDHJJYGNR-PVAVHDDUSA-N 2 0 355.486 0.838 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109473128 1200315015 /nfs/dbraw/zinc/31/50/15/1200315015.db2.gz WZKNEBRAQJPIFT-WCZJQEMASA-N 2 0 358.442 0.985 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512727 1200352838 /nfs/dbraw/zinc/35/28/38/1200352838.db2.gz WSHODMRXZLFZOT-FZCLSBEQSA-N 2 0 371.441 0.610 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650141 1200442362 /nfs/dbraw/zinc/44/23/62/1200442362.db2.gz UUQZBSVKDZOZDO-QZWWFDLISA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC001109672614 1200460425 /nfs/dbraw/zinc/46/04/25/1200460425.db2.gz MXBMSCGQJYJSAE-LMSBXDPUSA-N 2 0 365.474 0.830 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)c1cccnc1N1CC[NH2+]CC1 ZINC001219797640 1224616924 /nfs/dbraw/zinc/61/69/24/1224616924.db2.gz CAJMOFJUXQSXJL-UHFFFAOYSA-N 3 0 372.517 0.437 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822344 1200545267 /nfs/dbraw/zinc/54/52/67/1200545267.db2.gz KFIMEINOTUQRHP-BGTYHANMSA-N 2 0 363.506 0.941 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219796320 1224617563 /nfs/dbraw/zinc/61/75/63/1224617563.db2.gz VMEKNILJWKWTDP-RTBURBONSA-N 3 0 363.550 0.535 20 0 FCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@H]1CC1(F)F ZINC001109847893 1200559174 /nfs/dbraw/zinc/55/91/74/1200559174.db2.gz MRAUFKCHJOPNKY-UGUYLWEFSA-N 2 0 373.444 0.854 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219799722 1224619973 /nfs/dbraw/zinc/61/99/73/1224619973.db2.gz BDAUGHHRKBBLHL-MRXNPFEDSA-N 2 0 358.486 0.879 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219802766 1224623251 /nfs/dbraw/zinc/62/32/51/1224623251.db2.gz BVNCSVXTOAMFOE-SFHVURJKSA-N 2 0 358.486 0.590 20 0 FCADRP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977317 1200659869 /nfs/dbraw/zinc/65/98/69/1200659869.db2.gz DDTRHTGURMWVAB-PMPSAXMXSA-N 2 0 365.478 0.610 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219809180 1224626619 /nfs/dbraw/zinc/62/66/19/1224626619.db2.gz FQVHUYAZBZFCPU-BFUOFWGJSA-N 2 0 367.409 0.046 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219809103 1224626820 /nfs/dbraw/zinc/62/68/20/1224626820.db2.gz DFNKXQGNUVUUNN-UHFFFAOYSA-N 2 0 355.442 0.944 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219810831 1224628642 /nfs/dbraw/zinc/62/86/42/1224628642.db2.gz DZYNCSHGTGRQAE-UHFFFAOYSA-N 2 0 355.442 0.656 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112557725 1200784162 /nfs/dbraw/zinc/78/41/62/1200784162.db2.gz UVYGXHDUODFKTP-DOXZYTNZSA-N 2 0 364.490 0.352 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)N2CCC([NH3+])CC2)cc1 ZINC001219815232 1224631720 /nfs/dbraw/zinc/63/17/20/1224631720.db2.gz VVLBRABXSHTYQZ-CUWPLCDZSA-N 2 0 372.513 0.811 20 0 FCADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NC[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001219814792 1224631833 /nfs/dbraw/zinc/63/18/33/1224631833.db2.gz LXFDHACEYYKAFC-JXFKEZNVSA-N 2 0 372.469 0.216 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112567705 1200802359 /nfs/dbraw/zinc/80/23/59/1200802359.db2.gz DCXASCXHALLWOE-GLJUWKHASA-N 2 0 367.494 0.130 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578834 1200817711 /nfs/dbraw/zinc/81/77/11/1200817711.db2.gz JBBNCZILOFZSQJ-ZWOKBUDYSA-N 2 0 364.534 0.929 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787104127 1200866317 /nfs/dbraw/zinc/86/63/17/1200866317.db2.gz FVFJZKXELNZDJY-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH2+]Cc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)ncn1 ZINC001170070878 1200873606 /nfs/dbraw/zinc/87/36/06/1200873606.db2.gz JGIJSCAKMHXOOW-UHFFFAOYSA-N 2 0 372.454 0.898 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831642 1224643649 /nfs/dbraw/zinc/64/36/49/1224643649.db2.gz RNBOTLGPYJLSNS-YSHGAJCASA-N 2 0 369.469 0.294 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838636 1224647109 /nfs/dbraw/zinc/64/71/09/1224647109.db2.gz SMDLSTKWNJTHPC-OWQGQXMQSA-N 2 0 369.412 0.346 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838637 1224647683 /nfs/dbraw/zinc/64/76/83/1224647683.db2.gz SMDLSTKWNJTHPC-QANKJYHBSA-N 2 0 369.412 0.346 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852203 1224653883 /nfs/dbraw/zinc/65/38/83/1224653883.db2.gz OFACUNWTZPNSFS-ITQYTPKQSA-N 2 0 354.454 0.845 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2cc3ccccc3o2)C1 ZINC001219856733 1224656169 /nfs/dbraw/zinc/65/61/69/1224656169.db2.gz YXROSTRVPWBTQK-QGRWZNMESA-N 2 0 370.453 0.610 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)O1 ZINC001170276623 1201204055 /nfs/dbraw/zinc/20/40/55/1201204055.db2.gz GFJAVRHRMAMKRC-TVFCKZIOSA-N 2 0 374.485 0.974 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)O1 ZINC001170280211 1201206676 /nfs/dbraw/zinc/20/66/76/1201206676.db2.gz VRJAIRFMOSNWHZ-AZAGILFBSA-N 2 0 360.462 0.943 20 0 FCADRP Cn1cnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170395331 1201208749 /nfs/dbraw/zinc/20/87/49/1201208749.db2.gz MVCKZVVGRFZJAK-WLRQEKSISA-N 2 0 369.510 0.694 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000793737390 1201262831 /nfs/dbraw/zinc/26/28/31/1201262831.db2.gz IHJMNFZBGWBLCT-CVEARBPZSA-N 2 0 366.506 0.345 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459891 1201326077 /nfs/dbraw/zinc/32/60/77/1201326077.db2.gz BBEDMQMRLBNOCG-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001219877791 1224668325 /nfs/dbraw/zinc/66/83/25/1224668325.db2.gz QZYWCEGVWXSNEX-BBWFWOEESA-N 2 0 369.506 0.075 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129892367 1201415957 /nfs/dbraw/zinc/41/59/57/1201415957.db2.gz UEZNWXMTXDHPBK-BBWFWOEESA-N 2 0 364.494 0.265 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899933 1201433175 /nfs/dbraw/zinc/43/31/75/1201433175.db2.gz SJKOYYGELDEPND-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129943136 1201439417 /nfs/dbraw/zinc/43/94/17/1201439417.db2.gz OACAHOBATFPHNQ-IKGGRYGDSA-N 2 0 364.469 0.854 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925202 1201444435 /nfs/dbraw/zinc/44/44/35/1201444435.db2.gz STTSZTBNKAXGRT-CVEARBPZSA-N 2 0 362.478 0.285 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994266 1201464313 /nfs/dbraw/zinc/46/43/13/1201464313.db2.gz DROQGPIILCPBRN-IXDOHACOSA-N 2 0 366.510 0.632 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129992118 1201470395 /nfs/dbraw/zinc/47/03/95/1201470395.db2.gz LNUYYNQMIVDTAV-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009253 1201477482 /nfs/dbraw/zinc/47/74/82/1201477482.db2.gz FIYPFUZXHBHMHK-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001130009180 1201477726 /nfs/dbraw/zinc/47/77/26/1201477726.db2.gz AOFQUEQQPKDAJO-OAGGEKHMSA-N 2 0 368.457 0.090 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130030782 1201480848 /nfs/dbraw/zinc/48/08/48/1201480848.db2.gz QWBHHTAAZRWWLR-ZACQAIPSSA-N 2 0 364.494 0.265 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130043968 1201485144 /nfs/dbraw/zinc/48/51/44/1201485144.db2.gz JITLQPOJXOEMFO-SJORKVTESA-N 2 0 366.510 0.514 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001130047463 1201486714 /nfs/dbraw/zinc/48/67/14/1201486714.db2.gz BYYQBROWKSLZIS-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1)OC ZINC001130091321 1201497879 /nfs/dbraw/zinc/49/78/79/1201497879.db2.gz LSFIXMIUSWAPHM-XHSDSOJGSA-N 2 0 362.478 0.140 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094899 1201498422 /nfs/dbraw/zinc/49/84/22/1201498422.db2.gz WDTKFKXYPPNBPP-ZACQAIPSSA-N 2 0 366.510 0.513 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130106961 1201501978 /nfs/dbraw/zinc/50/19/78/1201501978.db2.gz BJOAJHFZJREAIB-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130107345 1201503094 /nfs/dbraw/zinc/50/30/94/1201503094.db2.gz LDFIROQNACWXJD-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137012 1201514300 /nfs/dbraw/zinc/51/43/00/1201514300.db2.gz DVDJRQZIZCTMJT-SJORKVTESA-N 2 0 366.510 0.775 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919811 1224681184 /nfs/dbraw/zinc/68/11/84/1224681184.db2.gz PAJFCDNDHRLHDM-NXHRZFHOSA-N 2 0 362.474 0.496 20 0 FCADRP CC(C)[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)[NH+](C)C ZINC001130215924 1201547252 /nfs/dbraw/zinc/54/72/52/1201547252.db2.gz IDVOCCMQEFVEFP-YDHLFZDLSA-N 2 0 370.473 0.439 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC[NH+](C)CC2)[nH]1 ZINC001130242436 1201563174 /nfs/dbraw/zinc/56/31/74/1201563174.db2.gz WZDPTMNUEWILMF-GJZGRUSLSA-N 2 0 364.494 0.635 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001130293548 1201579515 /nfs/dbraw/zinc/57/95/15/1201579515.db2.gz ZPIIKMFIHAJQSB-NUJGCVRESA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)[NH+](C)C ZINC001130301763 1201580747 /nfs/dbraw/zinc/58/07/47/1201580747.db2.gz FIKWCTVUMOLHLP-BPQIPLTHSA-N 2 0 368.522 0.040 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130305292 1201581954 /nfs/dbraw/zinc/58/19/54/1201581954.db2.gz RNKVQKTWEMFLBJ-APWZRJJASA-N 2 0 368.522 0.186 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219941328 1224692115 /nfs/dbraw/zinc/69/21/15/1224692115.db2.gz VKBMXJSRJFGJAL-MSOLQXFVSA-N 2 0 358.486 0.345 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219941329 1224692783 /nfs/dbraw/zinc/69/27/83/1224692783.db2.gz VKBMXJSRJFGJAL-QZTJIDSGSA-N 2 0 358.486 0.345 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1 ZINC001220023463 1224730527 /nfs/dbraw/zinc/73/05/27/1224730527.db2.gz ZMTIXGYQFRWMFU-KRWDZBQOSA-N 2 0 360.502 0.815 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659696 1202750074 /nfs/dbraw/zinc/75/00/74/1202750074.db2.gz UIUMNBIHRYMNCT-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)c1cnccn1 ZINC001130669657 1202751739 /nfs/dbraw/zinc/75/17/39/1202751739.db2.gz IFUSMUVDYMDXKS-RLFYNMQTSA-N 2 0 371.489 0.807 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)c1cnccn1 ZINC001130669659 1202751904 /nfs/dbraw/zinc/75/19/04/1202751904.db2.gz IFUSMUVDYMDXKS-RVKKMQEKSA-N 2 0 371.489 0.807 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130706703 1202757382 /nfs/dbraw/zinc/75/73/82/1202757382.db2.gz UBRCHWZJSXPSBM-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130695420 1202757469 /nfs/dbraw/zinc/75/74/69/1202757469.db2.gz RBNZZUVJOAKWRK-XYJFISCASA-N 2 0 365.522 0.807 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712793 1202759464 /nfs/dbraw/zinc/75/94/64/1202759464.db2.gz MDQCVUYSTCPSJB-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712596 1202759741 /nfs/dbraw/zinc/75/97/41/1202759741.db2.gz CCZZVJNCQMYIKT-SOLBZPMBSA-N 2 0 365.522 0.928 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130729057 1202764009 /nfs/dbraw/zinc/76/40/09/1202764009.db2.gz SMZGGNKULJECCB-FUHWJXTLSA-N 2 0 363.506 0.827 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130729142 1202764249 /nfs/dbraw/zinc/76/42/49/1202764249.db2.gz WTSRZTNYZOYKIH-SOLBZPMBSA-N 2 0 363.506 0.561 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726339 1202768195 /nfs/dbraw/zinc/76/81/95/1202768195.db2.gz TUUUXEIUTZZQPW-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n2)O1 ZINC001130790037 1202798072 /nfs/dbraw/zinc/79/80/72/1202798072.db2.gz DXNWJJCSTSHAJH-SQWLQELKSA-N 2 0 364.494 0.981 20 0 FCADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130812010 1202804952 /nfs/dbraw/zinc/80/49/52/1202804952.db2.gz WPUZBWPSEURXRZ-UONOGXRCSA-N 2 0 370.473 0.932 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130816392 1202807461 /nfs/dbraw/zinc/80/74/61/1202807461.db2.gz UOVAYAWVAWNELC-SOUVJXGZSA-N 2 0 364.494 0.982 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131082116 1202858450 /nfs/dbraw/zinc/85/84/50/1202858450.db2.gz IYQJNLGJAGZIFW-IAGOWNOFSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCO ZINC001131084215 1202859004 /nfs/dbraw/zinc/85/90/04/1202859004.db2.gz MUFQWIRNBWIUBM-IAGOWNOFSA-N 2 0 363.506 0.418 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131091817 1202861379 /nfs/dbraw/zinc/86/13/79/1202861379.db2.gz QMRPXDYGYRFKAT-BRWVUGGUSA-N 2 0 365.522 0.807 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CC1 ZINC001131096968 1202862421 /nfs/dbraw/zinc/86/24/21/1202862421.db2.gz SPUOBIITCCYFFA-IAGOWNOFSA-N 2 0 363.506 0.418 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131316148 1202885150 /nfs/dbraw/zinc/88/51/50/1202885150.db2.gz CRUHKJDFKNVRJM-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555725 1202913380 /nfs/dbraw/zinc/91/33/80/1202913380.db2.gz UINUTDIRAFELSF-KYJSFNMBSA-N 2 0 368.522 0.448 20 0 FCADRP Cn1cncc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555741 1202913424 /nfs/dbraw/zinc/91/34/24/1202913424.db2.gz UTPFHCXCZBQTJP-MJGOQNOKSA-N 2 0 363.506 0.858 20 0 FCADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+](CC)CC ZINC001131564728 1202915034 /nfs/dbraw/zinc/91/50/34/1202915034.db2.gz SCVACLUHBXWTQG-RYRKJORJSA-N 2 0 368.522 0.578 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131592882 1202917109 /nfs/dbraw/zinc/91/71/09/1202917109.db2.gz AILAEKOTOOASPE-GMBSWORKSA-N 2 0 366.506 0.060 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000812341478 1202980109 /nfs/dbraw/zinc/98/01/09/1202980109.db2.gz GOISQTDTKVWHOS-BSDSXHPESA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813324733 1202993428 /nfs/dbraw/zinc/99/34/28/1202993428.db2.gz ANHNCXCWERXVDT-AWEZNQCLSA-N 2 0 359.474 0.895 20 0 FCADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001134120505 1203014929 /nfs/dbraw/zinc/01/49/29/1203014929.db2.gz ARKSCNDGSYBOLG-MSOLQXFVSA-N 2 0 358.486 0.658 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126552 1203015857 /nfs/dbraw/zinc/01/58/57/1203015857.db2.gz XHMADUBCOIZNQY-NXHRZFHOSA-N 2 0 360.502 0.952 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001086747376 1203071084 /nfs/dbraw/zinc/07/10/84/1203071084.db2.gz WPBNAHROVYFAIQ-BJJXKVORSA-N 2 0 369.425 0.628 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001086786165 1203093062 /nfs/dbraw/zinc/09/30/62/1203093062.db2.gz MMDIUMYKSSIMAN-ZQDZILKHSA-N 2 0 364.494 0.213 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086793808 1203095413 /nfs/dbraw/zinc/09/54/13/1203095413.db2.gz MXQQRSOSBZQQJV-GOEBONIOSA-N 2 0 363.510 0.799 20 0 FCADRP CC(=O)NCCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861284 1203100395 /nfs/dbraw/zinc/10/03/95/1203100395.db2.gz BCTYGOAMLLDQMH-LZLYRXPVSA-N 2 0 370.538 0.744 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822957146 1203242201 /nfs/dbraw/zinc/24/22/01/1203242201.db2.gz XZVURRXYTBIARP-HNNXBMFYSA-N 2 0 358.446 0.804 20 0 FCADRP C[C@@H](C[NH3+])C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001220120558 1224776702 /nfs/dbraw/zinc/77/67/02/1224776702.db2.gz HQWFBVZFLLBYKB-JTQLQIEISA-N 2 0 355.402 0.512 20 0 FCADRP CCn1nc(C)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000824713775 1203302364 /nfs/dbraw/zinc/30/23/64/1203302364.db2.gz VVQQBLYHPQOXSH-MRXNPFEDSA-N 2 0 363.510 0.916 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CCO2)CC1 ZINC000825387364 1203314766 /nfs/dbraw/zinc/31/47/66/1203314766.db2.gz OPKZPQAZXPFUGK-HNNXBMFYSA-N 2 0 366.506 0.014 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CCO)cc1 ZINC001090875041 1203325335 /nfs/dbraw/zinc/32/53/35/1203325335.db2.gz ZYCSJPJFAVZUEX-IPMKNSEASA-N 2 0 361.486 0.912 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2[NH2+]CCO)cc1 ZINC001090878281 1203327253 /nfs/dbraw/zinc/32/72/53/1203327253.db2.gz OWJAKPPWIGDWEF-RBUKOAKNSA-N 2 0 361.486 0.913 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844189868 1203338568 /nfs/dbraw/zinc/33/85/68/1203338568.db2.gz WPLHQNPVDNZFPX-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP O=C(CO[C@H]1CCC[NH2+]C1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000844190494 1203338798 /nfs/dbraw/zinc/33/87/98/1203338798.db2.gz IMKCWWVHPXNBAT-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001220160402 1224791235 /nfs/dbraw/zinc/79/12/35/1224791235.db2.gz YTMDFOHFNSXDRO-BZSNNMDCSA-N 2 0 358.486 0.676 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161182 1224791452 /nfs/dbraw/zinc/79/14/52/1224791452.db2.gz ABRGABZKPPOKBB-UWVAXJGDSA-N 2 0 358.486 0.711 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161181 1224791677 /nfs/dbraw/zinc/79/16/77/1224791677.db2.gz ABRGABZKPPOKBB-FUHIMQAGSA-N 2 0 358.486 0.711 20 0 FCADRP COC(=O)[C@@]1(NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228707 1224810301 /nfs/dbraw/zinc/81/03/01/1224810301.db2.gz VGJSWESIWYCUFO-VQIMIIECSA-N 2 0 361.442 0.299 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)CC1 ZINC001220269317 1224817488 /nfs/dbraw/zinc/81/74/88/1224817488.db2.gz UXKNHEDUCBWAIJ-MOPGFXCFSA-N 2 0 361.486 0.706 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311773 1224826379 /nfs/dbraw/zinc/82/63/79/1224826379.db2.gz QWESVMKVHRFFHM-SFHVURJKSA-N 2 0 370.501 0.888 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220316876 1224826801 /nfs/dbraw/zinc/82/68/01/1224826801.db2.gz UHPAGKZJTVSCKJ-HLXNBZPMSA-N 2 0 370.453 0.123 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220315580 1224826867 /nfs/dbraw/zinc/82/68/67/1224826867.db2.gz FRISLDVTLPLKQP-MPGHIAIKSA-N 2 0 359.474 0.161 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315646 1224826908 /nfs/dbraw/zinc/82/69/08/1224826908.db2.gz GJFNLUCFKHMBEU-SBHAEUEKSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220316875 1224826998 /nfs/dbraw/zinc/82/69/98/1224826998.db2.gz UHPAGKZJTVSCKJ-DZXDFRQDSA-N 2 0 370.453 0.123 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccco2)CC1 ZINC001220316639 1224827401 /nfs/dbraw/zinc/82/74/01/1224827401.db2.gz RYWLDMVURDWQQU-AYBZRNKSSA-N 2 0 362.474 0.771 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483056 1204523760 /nfs/dbraw/zinc/52/37/60/1204523760.db2.gz JUOXZKONYZBFNV-HUUCEWRRSA-N 2 0 371.526 0.193 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)CC[NH+](C)CC1 ZINC001220345733 1224836835 /nfs/dbraw/zinc/83/68/35/1224836835.db2.gz NMSXNQMUEDXKLZ-ZDUSSCGKSA-N 2 0 371.478 0.450 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353240 1224840040 /nfs/dbraw/zinc/84/00/40/1224840040.db2.gz HQNWBCMWVBRZNM-MSOLQXFVSA-N 2 0 374.485 0.467 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001144934346 1204660342 /nfs/dbraw/zinc/66/03/42/1204660342.db2.gz XZLYEARQZDYCFN-WMZOPIPTSA-N 2 0 371.485 0.982 20 0 FCADRP COC(=O)[C@H](CCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)NC(C)=O ZINC001144961936 1204670778 /nfs/dbraw/zinc/67/07/78/1204670778.db2.gz MVUYTPSLMLMMOP-INIZCTEOSA-N 2 0 372.510 0.176 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674086 /nfs/dbraw/zinc/67/40/86/1204674086.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 0 370.538 0.926 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001146779850 1204740814 /nfs/dbraw/zinc/74/08/14/1204740814.db2.gz PNBNDCVSYHZQII-UHFFFAOYSA-N 2 0 374.533 0.705 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCNC(=O)C2CC2)C3)CC[N@@H+]1C ZINC001147582728 1204799873 /nfs/dbraw/zinc/79/98/73/1204799873.db2.gz DJBCDQGFVGIODE-DLBZAZTESA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716190 1204831231 /nfs/dbraw/zinc/83/12/31/1204831231.db2.gz MZHGAVWTOHVMFD-VKJFTORMSA-N 2 0 361.494 0.365 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740806 1204838508 /nfs/dbraw/zinc/83/85/08/1204838508.db2.gz JRXWBWBTBMOGHB-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742960 1204839812 /nfs/dbraw/zinc/83/98/12/1204839812.db2.gz GYRDCFISAXHZRQ-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001086854753 1204852735 /nfs/dbraw/zinc/85/27/35/1204852735.db2.gz OHECLBLTCTXSPS-BBWFWOEESA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1 ZINC001087009512 1204897062 /nfs/dbraw/zinc/89/70/62/1204897062.db2.gz KBMODCSWTUDHRN-BHYGNILZSA-N 2 0 367.469 0.242 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087035348 1204911097 /nfs/dbraw/zinc/91/10/97/1204911097.db2.gz XCGXUQWUXSMRND-HYVNUMGLSA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087034986 1204911461 /nfs/dbraw/zinc/91/14/61/1204911461.db2.gz GNXFJIBMNBVTPV-FGTMMUONSA-N 2 0 363.506 0.776 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059664 1204943934 /nfs/dbraw/zinc/94/39/34/1204943934.db2.gz OXJMUZYKHIWPMA-NVXWUHKLSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059378 1204944115 /nfs/dbraw/zinc/94/41/15/1204944115.db2.gz BRJYGKKZCRVNNX-KZNAEPCWSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087061132 1204948105 /nfs/dbraw/zinc/94/81/05/1204948105.db2.gz PYPDGCRDUOYBJV-INMHGKMJSA-N 2 0 366.510 0.652 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087062973 1204950581 /nfs/dbraw/zinc/95/05/81/1204950581.db2.gz CXTCYBFBOWIYIH-KBAYOESNSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087063237 1204950949 /nfs/dbraw/zinc/95/09/49/1204950949.db2.gz OOHAAOPTYNPIMQ-KBAYOESNSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083426 1204971400 /nfs/dbraw/zinc/97/14/00/1204971400.db2.gz DVTJFKWRRASOTM-YSVLISHTSA-N 2 0 365.478 0.673 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087101669 1205000256 /nfs/dbraw/zinc/00/02/56/1205000256.db2.gz WVKQRNBYDIQLBN-NVXWUHKLSA-N 2 0 364.494 0.347 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087096274 1205003281 /nfs/dbraw/zinc/00/32/81/1205003281.db2.gz GEBACIAIEBSIPF-CGTJXYLNSA-N 2 0 363.506 0.715 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856420 1205051904 /nfs/dbraw/zinc/05/19/04/1205051904.db2.gz PRLKBYDQWFXIGJ-MUKKUYKPSA-N 2 0 355.442 0.863 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001091959784 1205093527 /nfs/dbraw/zinc/09/35/27/1205093527.db2.gz FULCHRWSYNKEOV-VCBZYWHSSA-N 2 0 360.458 0.624 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012987 1205113906 /nfs/dbraw/zinc/11/39/06/1205113906.db2.gz FYGBFRLLYJQMHU-FCEWJHQRSA-N 2 0 363.506 0.134 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001220432135 1224870197 /nfs/dbraw/zinc/87/01/97/1224870197.db2.gz YSHLNUUBXJPKJI-LPHOPBHVSA-N 2 0 372.469 0.874 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273423 1205221524 /nfs/dbraw/zinc/22/15/24/1205221524.db2.gz NUYCRLVAJHEUFT-LMMKCTJWSA-N 2 0 360.506 0.627 20 0 FCADRP COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220456227 1224877958 /nfs/dbraw/zinc/87/79/58/1224877958.db2.gz HRTQFOWMLTUKFW-IRXDYDNUSA-N 2 0 365.474 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092602519 1205317506 /nfs/dbraw/zinc/31/75/06/1205317506.db2.gz ATFADVKGSLXWLL-ZACQAIPSSA-N 2 0 365.522 0.569 20 0 FCADRP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)C1=O ZINC001092775932 1205355079 /nfs/dbraw/zinc/35/50/79/1205355079.db2.gz NSKPUOYFWGAPIQ-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]C[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC001220499721 1224893001 /nfs/dbraw/zinc/89/30/01/1224893001.db2.gz BQNFBJYGXWHBRJ-YRNRMSPPSA-N 2 0 350.422 0.912 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517137 1224900259 /nfs/dbraw/zinc/90/02/59/1224900259.db2.gz YAGLTICDHRCZLD-SJORKVTESA-N 2 0 367.494 0.036 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911458 1205940648 /nfs/dbraw/zinc/94/06/48/1205940648.db2.gz RUBCURJWNAJLGM-NUJGCVRESA-N 2 0 363.506 0.713 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040990 1206002113 /nfs/dbraw/zinc/00/21/13/1206002113.db2.gz ZNQOBCUYHBTKFB-IIAWOOMASA-N 2 0 364.494 0.006 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040444 1206002217 /nfs/dbraw/zinc/00/22/17/1206002217.db2.gz PICMKVYYQUQNDS-BRWVUGGUSA-N 2 0 363.506 0.779 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137222 1206033647 /nfs/dbraw/zinc/03/36/47/1206033647.db2.gz TUJGYEDOMKAVDW-ZIAGYGMSSA-N 2 0 359.474 0.724 20 0 FCADRP COc1coc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)cc1=O ZINC001093194858 1206052476 /nfs/dbraw/zinc/05/24/76/1206052476.db2.gz DPGTXUADHREIRD-RBSFLKMASA-N 2 0 363.458 0.784 20 0 FCADRP CC(C)[C@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093452013 1206082221 /nfs/dbraw/zinc/08/22/21/1206082221.db2.gz BMGMFCQIACTWTC-YWTNHNAXSA-N 2 0 365.518 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001093673002 1206099821 /nfs/dbraw/zinc/09/98/21/1206099821.db2.gz HYYHFXYNTDYTKK-RBSFLKMASA-N 2 0 363.510 0.706 20 0 FCADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001093774710 1206113997 /nfs/dbraw/zinc/11/39/97/1206113997.db2.gz RDASCDUSSAXDFF-QGPMSJSTSA-N 2 0 360.506 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093822433 1206124295 /nfs/dbraw/zinc/12/42/95/1206124295.db2.gz QQHUAVNGWCNPHD-BJZITVGISA-N 2 0 360.502 0.910 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093919433 1206149169 /nfs/dbraw/zinc/14/91/69/1206149169.db2.gz BCQHCBSABAXIQN-TZMCWYRMSA-N 2 0 369.429 0.254 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093893922 1206151692 /nfs/dbraw/zinc/15/16/92/1206151692.db2.gz BTWYGUFSYRCMAY-UNEWFSDZSA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093930102 1206151954 /nfs/dbraw/zinc/15/19/54/1206151954.db2.gz HEUKADKBPSUVGM-YPNVDPLUSA-N 2 0 360.458 0.722 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093942597 1206155876 /nfs/dbraw/zinc/15/58/76/1206155876.db2.gz UXNLROSTEWWEFP-KYJSFNMBSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093942599 1206155933 /nfs/dbraw/zinc/15/59/33/1206155933.db2.gz UXNLROSTEWWEFP-QGPMSJSTSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093961045 1206158904 /nfs/dbraw/zinc/15/89/04/1206158904.db2.gz STTRNDLPCSEIQM-RBSFLKMASA-N 2 0 364.490 0.350 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093998384 1206166575 /nfs/dbraw/zinc/16/65/75/1206166575.db2.gz RNWBOTHAOCCNNR-TZMCWYRMSA-N 2 0 361.450 0.363 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093998381 1206166979 /nfs/dbraw/zinc/16/69/79/1206166979.db2.gz RCRYXYHHVVBEDX-UKRRQHHQSA-N 2 0 360.462 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094101419 1206184076 /nfs/dbraw/zinc/18/40/76/1206184076.db2.gz SAICMCRHZSUBJZ-ZIAGYGMSSA-N 2 0 361.450 0.326 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094111822 1206185644 /nfs/dbraw/zinc/18/56/44/1206185644.db2.gz XDWAEJVGNOVGGQ-RHSMWYFYSA-N 2 0 371.489 0.770 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094159088 1206195974 /nfs/dbraw/zinc/19/59/74/1206195974.db2.gz XZYVTYWWTZJHSS-OLMNPRSZSA-N 2 0 362.518 0.681 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1C ZINC001094165580 1206197843 /nfs/dbraw/zinc/19/78/43/1206197843.db2.gz RNSNNWDDUCEABS-OWCLPIDISA-N 2 0 362.522 0.903 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001094169504 1206198316 /nfs/dbraw/zinc/19/83/16/1206198316.db2.gz NURYGJWDWUWDPH-UKRRQHHQSA-N 2 0 358.490 0.962 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001094223259 1206203793 /nfs/dbraw/zinc/20/37/93/1206203793.db2.gz VUSHOMIHWXFTED-HUUCEWRRSA-N 2 0 365.478 0.538 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cn(C3C[NH+](C[C@@H]4CCOC4)C3)nn2)CC[N@@H+]1C ZINC001094293376 1206215468 /nfs/dbraw/zinc/21/54/68/1206215468.db2.gz MAENGAJBJFRQDF-JKIFEVAISA-N 2 0 362.478 0.128 20 0 FCADRP COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474020 1206233443 /nfs/dbraw/zinc/23/34/43/1206233443.db2.gz HGZGKOALDOOIBP-KCZRXQPDSA-N 2 0 363.502 0.857 20 0 FCADRP CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001179146813 1206375914 /nfs/dbraw/zinc/37/59/14/1206375914.db2.gz DCFIJTUZSVELDR-SJCJKPOMSA-N 2 0 369.466 0.331 20 0 FCADRP C[N@H+](CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1)C1CCCC1 ZINC001180624576 1206396552 /nfs/dbraw/zinc/39/65/52/1206396552.db2.gz DQPGXZRHMNALDL-UHFFFAOYSA-N 2 0 361.490 0.818 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(CNCc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001181517614 1206410961 /nfs/dbraw/zinc/41/09/61/1206410961.db2.gz KKWFUBZNBZGZRG-BASYENTBSA-N 2 0 363.510 0.515 20 0 FCADRP Nc1cn(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001182556230 1206438637 /nfs/dbraw/zinc/43/86/37/1206438637.db2.gz XHQQXFPSXQXWBU-IBGZPJMESA-N 2 0 373.501 0.818 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH+](C)CCN1C)[C@@H]2C ZINC001185253034 1206477771 /nfs/dbraw/zinc/47/77/71/1206477771.db2.gz VJMFMABKAFHUQS-NVXWUHKLSA-N 2 0 362.522 0.872 20 0 FCADRP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220623185 1224972179 /nfs/dbraw/zinc/97/21/79/1224972179.db2.gz YBIVGVWLHHSRKL-OAHLLOKOSA-N 2 0 366.469 0.524 20 0 FCADRP COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220627967 1224974395 /nfs/dbraw/zinc/97/43/95/1224974395.db2.gz NMKIGDBWAFRFBU-VQIMIIECSA-N 2 0 362.474 0.027 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638319 1224981388 /nfs/dbraw/zinc/98/13/88/1224981388.db2.gz ZCODDJVMXINDHV-MOPGFXCFSA-N 2 0 361.486 0.767 20 0 FCADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220643274 1224983203 /nfs/dbraw/zinc/98/32/03/1224983203.db2.gz YDQLIGCLHCOSJP-FGTMMUONSA-N 2 0 369.506 0.074 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651897 1224990034 /nfs/dbraw/zinc/99/00/34/1224990034.db2.gz QSTZFGIQKUGBLR-YOEHRIQHSA-N 2 0 359.474 0.051 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952032 1207405908 /nfs/dbraw/zinc/40/59/08/1207405908.db2.gz QPRGAAULPRKYJC-XYJFISCASA-N 2 0 363.506 0.752 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC001188365552 1207447165 /nfs/dbraw/zinc/44/71/65/1207447165.db2.gz JTSNLKJQRFWVDG-UHFFFAOYSA-N 2 0 362.474 0.398 20 0 FCADRP C[NH+]1CCN(Cc2ccccc2C(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001188370653 1207447963 /nfs/dbraw/zinc/44/79/63/1207447963.db2.gz HHKGFQQLRRYKJD-UHFFFAOYSA-N 2 0 360.502 0.621 20 0 FCADRP C[NH+]1CCN(Cc2ccccc2C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001188349004 1207450276 /nfs/dbraw/zinc/45/02/76/1207450276.db2.gz ZFUKBQZZIGTSCY-UHFFFAOYSA-N 2 0 366.469 0.843 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405857 1207454573 /nfs/dbraw/zinc/45/45/73/1207454573.db2.gz QUFXXZWZDRPQGE-USXIJHARSA-N 2 0 359.474 0.705 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610025 1207466406 /nfs/dbraw/zinc/46/64/06/1207466406.db2.gz JVPZIKAJDVOXLH-VVJOJPPRSA-N 2 0 363.502 0.807 20 0 FCADRP CN(C)c1ncc(-c2cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n(C)c2)cn1 ZINC001188905580 1207489618 /nfs/dbraw/zinc/48/96/18/1207489618.db2.gz WZHJLDUOEIARTR-UHFFFAOYSA-N 2 0 358.450 0.623 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963169 1207493111 /nfs/dbraw/zinc/49/31/11/1207493111.db2.gz LBHTWMOOFQBEEM-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC001189061206 1207498683 /nfs/dbraw/zinc/49/86/83/1207498683.db2.gz BJGDLDIZVOKTEM-LZLYRXPVSA-N 2 0 369.506 0.027 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001189110482 1207501703 /nfs/dbraw/zinc/50/17/03/1207501703.db2.gz PSTIZUIDGJFYPO-YESZJQIVSA-N 2 0 365.522 0.665 20 0 FCADRP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)cc1 ZINC001220688814 1225015570 /nfs/dbraw/zinc/01/55/70/1225015570.db2.gz QQIPNNACHKXFNI-QYZOEREBSA-N 2 0 363.502 0.786 20 0 FCADRP C[N@H+](CC(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001273641410 1207838068 /nfs/dbraw/zinc/83/80/68/1207838068.db2.gz JGVSGELOYUHJIX-QGZVFWFLSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001193102290 1207858405 /nfs/dbraw/zinc/85/84/05/1207858405.db2.gz GKFRYKDUERCWMX-NXWXRZEISA-N 2 0 361.486 0.957 20 0 FCADRP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001193102410 1207858670 /nfs/dbraw/zinc/85/86/70/1207858670.db2.gz IYBYGULSKXWGQK-DJIMGWMZSA-N 2 0 364.490 0.985 20 0 FCADRP CC(C)CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773612 1207888042 /nfs/dbraw/zinc/88/80/42/1207888042.db2.gz AHMDKJXTMAPPQI-ARFHVFGLSA-N 2 0 368.522 0.183 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001193902625 1207898327 /nfs/dbraw/zinc/89/83/27/1207898327.db2.gz VGMYTARQNNKBJU-RCCFBDPRSA-N 2 0 363.506 0.536 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@H]2O)CC1 ZINC001195822112 1208042574 /nfs/dbraw/zinc/04/25/74/1208042574.db2.gz XXVFQTLXYKASGJ-RTBURBONSA-N 2 0 361.486 0.959 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O)[NH+](C)C ZINC001195980886 1208049298 /nfs/dbraw/zinc/04/92/98/1208049298.db2.gz JPKYZGUTIATEED-BRWVUGGUSA-N 2 0 362.474 0.033 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196298872 1208072762 /nfs/dbraw/zinc/07/27/62/1208072762.db2.gz DFNQPHDUMWCUSQ-QXAKKESOSA-N 2 0 361.486 0.849 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@]3(N)CCC[NH2+]C3)CC2)cc1 ZINC001220743851 1225048017 /nfs/dbraw/zinc/04/80/17/1225048017.db2.gz SKEQTLWCOSHLKF-FQEVSTJZSA-N 2 0 360.502 0.899 20 0 FCADRP CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197825806 1208201985 /nfs/dbraw/zinc/20/19/85/1208201985.db2.gz IQCJHXPKGSSWFO-RTBURBONSA-N 2 0 363.502 0.531 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)c2ccncc2N2CCN(C)CC2)CC1 ZINC001198157782 1208224891 /nfs/dbraw/zinc/22/48/91/1208224891.db2.gz NFHYWBVFINHXCS-UHFFFAOYSA-N 2 0 361.490 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661102 1208280162 /nfs/dbraw/zinc/28/01/62/1208280162.db2.gz AFVNMKKCXOPKKH-QXAKKESOSA-N 2 0 361.486 0.959 20 0 FCADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001220751423 1225054192 /nfs/dbraw/zinc/05/41/92/1225054192.db2.gz PNROTMJCWZVPCK-AHTIFJERSA-N 2 0 365.433 0.980 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)n1 ZINC001199029557 1208312909 /nfs/dbraw/zinc/31/29/09/1208312909.db2.gz LFEBUAQIYXDUAT-QZTJIDSGSA-N 2 0 363.506 0.537 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755450 1225057333 /nfs/dbraw/zinc/05/73/33/1225057333.db2.gz PCEVSGNYJZMSDV-UHOSZYNNSA-N 2 0 361.486 0.959 20 0 FCADRP C[C@@H](NC(=O)[C@H](F)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000867306498 1208329451 /nfs/dbraw/zinc/32/94/51/1208329451.db2.gz MPIAKMFRCYPBBT-HALDLXJZSA-N 2 0 366.481 0.858 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000776069370 1208394313 /nfs/dbraw/zinc/39/43/13/1208394313.db2.gz ONLCYERPTMGBEL-UHFFFAOYSA-N 2 0 371.485 0.755 20 0 FCADRP O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)NCC1CCC1 ZINC001691708966 1208446075 /nfs/dbraw/zinc/44/60/75/1208446075.db2.gz KOHWOKAWKVHSIU-QKPAOTATSA-N 2 0 359.474 0.914 20 0 FCADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488537072 1208532664 /nfs/dbraw/zinc/53/26/64/1208532664.db2.gz XSDSYEANHZNBJM-GVDBMIGSSA-N 2 0 368.522 0.260 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220790243 1225076538 /nfs/dbraw/zinc/07/65/38/1225076538.db2.gz PUOSCACUVXWGKV-CADBVGFASA-N 2 0 357.502 0.922 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001489207843 1208672442 /nfs/dbraw/zinc/67/24/42/1208672442.db2.gz ZMTFLSIUTOUQCE-AOIWGVFYSA-N 2 0 364.534 0.879 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001489382292 1208804639 /nfs/dbraw/zinc/80/46/39/1208804639.db2.gz ZJAGWAIVDPUXCU-HZPDHXFCSA-N 2 0 368.522 0.281 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[NH2+]C1 ZINC001220830482 1225093877 /nfs/dbraw/zinc/09/38/77/1225093877.db2.gz YHAKMWNCBJPVDB-VBKZILBWSA-N 2 0 370.453 0.249 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001489527249 1208881995 /nfs/dbraw/zinc/88/19/95/1208881995.db2.gz ZDQSBJGWLBTICK-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001489534771 1208896247 /nfs/dbraw/zinc/89/62/47/1208896247.db2.gz GWYOVQLWLQUTHX-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001489545073 1208906218 /nfs/dbraw/zinc/90/62/18/1208906218.db2.gz DCZSRTQGOGGWNO-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220850906 1225106084 /nfs/dbraw/zinc/10/60/84/1225106084.db2.gz AFRGNRNAPIOGFH-KRWDZBQOSA-N 2 0 374.485 0.481 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001489622314 1209053429 /nfs/dbraw/zinc/05/34/29/1209053429.db2.gz FFRVWZXTRPQTGG-HLLBOEOZSA-N 2 0 370.538 0.238 20 0 FCADRP COc1cncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001220872236 1225118611 /nfs/dbraw/zinc/11/86/11/1225118611.db2.gz PKLFYRPSVFQQAM-HOTGVXAUSA-N 2 0 363.462 0.154 20 0 FCADRP O=C(NCCN1CCNCC1=O)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001220874380 1225118699 /nfs/dbraw/zinc/11/86/99/1225118699.db2.gz HSCSERNDKCLAKT-UHFFFAOYSA-N 2 0 362.449 0.286 20 0 FCADRP CCOC(=O)[C@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001220875920 1225119748 /nfs/dbraw/zinc/11/97/48/1225119748.db2.gz BGDKUAIMJDGKRA-SJORKVTESA-N 2 0 362.474 0.200 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)c1 ZINC001220913223 1225136756 /nfs/dbraw/zinc/13/67/56/1225136756.db2.gz LTRZFBQBZLJFPB-SJORKVTESA-N 2 0 361.442 0.277 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000851685089 1209512247 /nfs/dbraw/zinc/51/22/47/1209512247.db2.gz PHLRIZINTAOIRQ-HYVNUMGLSA-N 2 0 366.506 0.332 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000852749370 1209562739 /nfs/dbraw/zinc/56/27/39/1209562739.db2.gz LIUIULDLRUREOP-YESZJQIVSA-N 2 0 366.506 0.997 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220936378 1225148432 /nfs/dbraw/zinc/14/84/32/1225148432.db2.gz FSTWSPCNZBPIEW-LPHOPBHVSA-N 2 0 371.485 0.609 20 0 FCADRP Cc1ccc([C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)N2CCC[NH2+]CC2)cc1 ZINC001220935963 1225148850 /nfs/dbraw/zinc/14/88/50/1225148850.db2.gz BHBAJIXGZYDGKN-OALUTQOASA-N 2 0 360.502 0.826 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935913 1225148988 /nfs/dbraw/zinc/14/89/88/1225148988.db2.gz ANKVPYZTUQOQQB-ROUUACIJSA-N 2 0 358.486 0.203 20 0 FCADRP O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220929524 1225146864 /nfs/dbraw/zinc/14/68/64/1225146864.db2.gz BJCPPQKRWFKHJZ-INIZCTEOSA-N 2 0 358.490 0.683 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854649805 1209638234 /nfs/dbraw/zinc/63/82/34/1209638234.db2.gz HALCURAWCAVSAP-ZHCJQAHYSA-N 2 0 368.522 0.230 20 0 FCADRP CCC[NH+]1CC[C@@H](NC(=O)CC(O)CC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000856073720 1209693968 /nfs/dbraw/zinc/69/39/68/1209693968.db2.gz VZVDUKKEJYZLQQ-HZPDHXFCSA-N 2 0 368.522 0.329 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000857102668 1209742256 /nfs/dbraw/zinc/74/22/56/1209742256.db2.gz JUVOEIDTADDOLF-ALKREAHSSA-N 2 0 364.490 0.086 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748886 1209794401 /nfs/dbraw/zinc/79/44/01/1209794401.db2.gz WZKNEBRAQJPIFT-UWIFEVILSA-N 2 0 358.442 0.985 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001220969143 1225165280 /nfs/dbraw/zinc/16/52/80/1225165280.db2.gz PPMPKMPMBOUBCD-UHFFFAOYSA-N 2 0 356.470 0.622 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000861730044 1209877853 /nfs/dbraw/zinc/87/78/53/1209877853.db2.gz JZNOOVBGKJNHNN-JSGCOSHPSA-N 2 0 366.462 0.228 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000861736307 1209878276 /nfs/dbraw/zinc/87/82/76/1209878276.db2.gz VTEPNPBZNKTPOT-OAHLLOKOSA-N 2 0 362.474 0.583 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861773992 1209881711 /nfs/dbraw/zinc/88/17/11/1209881711.db2.gz UGEBFNZDNMLESF-YOEHRIQHSA-N 2 0 362.474 0.754 20 0 FCADRP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111496899 1209912016 /nfs/dbraw/zinc/91/20/16/1209912016.db2.gz KFDOXKVVUPXAKV-OAGGEKHMSA-N 2 0 360.462 0.410 20 0 FCADRP CC[NH+](C)C[C@H]1CCN(C(=O)C(F)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000866193168 1209993421 /nfs/dbraw/zinc/99/34/21/1209993421.db2.gz LDOGCYCLVNLKOZ-HZPDHXFCSA-N 2 0 370.513 0.925 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000868286524 1210049602 /nfs/dbraw/zinc/04/96/02/1210049602.db2.gz OHTUSDCUKXXWAF-LSDHHAIUSA-N 2 0 359.474 0.715 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc([C@@H](N)C[NH3+])cc2)CC1 ZINC001221006996 1225182886 /nfs/dbraw/zinc/18/28/86/1225182886.db2.gz QZWRPDBUTMSOSA-ULQDDVLXSA-N 2 0 361.490 0.364 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375727 1210056764 /nfs/dbraw/zinc/05/67/64/1210056764.db2.gz VRPYBTMXWOBKQB-FGTMMUONSA-N 2 0 365.522 0.129 20 0 FCADRP O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221030650 1225192993 /nfs/dbraw/zinc/19/29/93/1225192993.db2.gz HHBYPCTVTZRSDT-IAGOWNOFSA-N 2 0 362.449 0.313 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873100710 1210233636 /nfs/dbraw/zinc/23/36/36/1210233636.db2.gz BZJZUQFKUVFCMW-KRWDZBQOSA-N 2 0 374.485 0.962 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067777 1225207619 /nfs/dbraw/zinc/20/76/19/1225207619.db2.gz KJTQQQYVXLANHX-ZYOVEWDWSA-N 2 0 367.490 0.155 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cnnn3C3CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC000877238349 1210440655 /nfs/dbraw/zinc/44/06/55/1210440655.db2.gz GIOULMYVNNZCSH-DLBZAZTESA-N 2 0 370.457 0.778 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877329876 1210443102 /nfs/dbraw/zinc/44/31/02/1210443102.db2.gz YYFPXDUYVUNUEG-HUUCEWRRSA-N 2 0 362.478 0.481 20 0 FCADRP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089842 1225215794 /nfs/dbraw/zinc/21/57/94/1225215794.db2.gz RCHHXZVZSYOVOB-OTWHNJEPSA-N 2 0 363.502 0.746 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879595850 1210490808 /nfs/dbraw/zinc/49/08/08/1210490808.db2.gz GPFIQVBQWFIZBQ-LJQANCHMSA-N 2 0 370.538 0.974 20 0 FCADRP CCOC(=O)C1(C(=O)NC2(c3cccc(OC)c3)CC[NH2+]CC2)C[NH2+]C1 ZINC001221094491 1225219166 /nfs/dbraw/zinc/21/91/66/1225219166.db2.gz WNTRZQJNKWBKIG-UHFFFAOYSA-N 2 0 361.442 0.543 20 0 FCADRP CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000880309451 1210526688 /nfs/dbraw/zinc/52/66/88/1210526688.db2.gz WXRSIUVYVHNCJB-BGYRXZFFSA-N 2 0 370.497 0.741 20 0 FCADRP C[NH+]1CCC(NC(=O)Cn2cc(COc3ccc(C[NH3+])cc3)nn2)CC1 ZINC000881329224 1210583820 /nfs/dbraw/zinc/58/38/20/1210583820.db2.gz BHJKCEPVXYDVJV-UHFFFAOYSA-N 2 0 358.446 0.526 20 0 FCADRP CC[NH+]1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)ccn1 ZINC000882487271 1210623718 /nfs/dbraw/zinc/62/37/18/1210623718.db2.gz UFOIIZZFMQCELV-JKSUJKDBSA-N 2 0 359.474 0.730 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1N(C)C ZINC000130581645 1210645240 /nfs/dbraw/zinc/64/52/40/1210645240.db2.gz NYMLSSNJBFETRI-UHFFFAOYSA-N 2 0 363.506 0.951 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439158 1210667053 /nfs/dbraw/zinc/66/70/53/1210667053.db2.gz KGSQIGCGBAFMNY-LTIDMASMSA-N 2 0 365.474 0.829 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)CN1CCOCC1 ZINC000883441661 1210667381 /nfs/dbraw/zinc/66/73/81/1210667381.db2.gz UXWZSCJRBWEUGL-WMZOPIPTSA-N 2 0 368.522 0.897 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439159 1210667602 /nfs/dbraw/zinc/66/76/02/1210667602.db2.gz KGSQIGCGBAFMNY-LUKYLMHMSA-N 2 0 365.474 0.829 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883639691 1210677749 /nfs/dbraw/zinc/67/77/49/1210677749.db2.gz WGEMRKDBAVZWPS-GJZGRUSLSA-N 2 0 359.474 0.705 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000883641994 1210678132 /nfs/dbraw/zinc/67/81/32/1210678132.db2.gz ANKNJJWLKWIYLK-UHFFFAOYSA-N 2 0 368.522 0.677 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000883645300 1210678757 /nfs/dbraw/zinc/67/87/57/1210678757.db2.gz HMDSLPQNTMTJPH-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883653124 1210680319 /nfs/dbraw/zinc/68/03/19/1210680319.db2.gz MEHAQQHVHSIEGA-UHFFFAOYSA-N 2 0 367.538 0.202 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCN1c1cc[nH+]cc1 ZINC000883792060 1210690768 /nfs/dbraw/zinc/69/07/68/1210690768.db2.gz GXGHMKZDSCDGBM-RDJZCZTQSA-N 2 0 374.489 0.642 20 0 FCADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884249727 1210726407 /nfs/dbraw/zinc/72/64/07/1210726407.db2.gz QKDUAWXJBMIDEE-UHFFFAOYSA-N 2 0 355.446 0.865 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000884273751 1210727776 /nfs/dbraw/zinc/72/77/76/1210727776.db2.gz XKESETTXKFVWAL-MRXNPFEDSA-N 2 0 362.474 0.745 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884503660 1210740547 /nfs/dbraw/zinc/74/05/47/1210740547.db2.gz PXYVNTMACFVMFI-OALUTQOASA-N 2 0 372.513 0.878 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884517773 1210742966 /nfs/dbraw/zinc/74/29/66/1210742966.db2.gz WCWAHGVRFXYBRI-IRXDYDNUSA-N 2 0 360.433 0.479 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000884517867 1210743910 /nfs/dbraw/zinc/74/39/10/1210743910.db2.gz YFHAYPQBRAMIDD-XJKSGUPXSA-N 2 0 362.449 0.854 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000884531170 1210745248 /nfs/dbraw/zinc/74/52/48/1210745248.db2.gz FQOLMQOLLKPMAW-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000884553851 1210748604 /nfs/dbraw/zinc/74/86/04/1210748604.db2.gz IRJAGCGQCSCSFX-BBRMVZONSA-N 2 0 356.470 0.690 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884560211 1210751608 /nfs/dbraw/zinc/75/16/08/1210751608.db2.gz QPZPBEQIBBOEAE-VCBZYWHSSA-N 2 0 366.506 0.189 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884577366 1210755639 /nfs/dbraw/zinc/75/56/39/1210755639.db2.gz DHKIRHMFCVZPMB-YJBOKZPZSA-N 2 0 358.486 0.808 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884578275 1210756841 /nfs/dbraw/zinc/75/68/41/1210756841.db2.gz WVRXBXXPJZCOHL-HDICACEKSA-N 2 0 356.470 0.514 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884604950 1210760693 /nfs/dbraw/zinc/76/06/93/1210760693.db2.gz RXVFIAXLAZBIFM-OQIJWPOYSA-N 2 0 370.497 0.976 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884616703 1210764021 /nfs/dbraw/zinc/76/40/21/1210764021.db2.gz ARMIJHRPGVMNSD-ZWKOTPCHSA-N 2 0 358.486 0.808 20 0 FCADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884626580 1210766060 /nfs/dbraw/zinc/76/60/60/1210766060.db2.gz PDBFMZCXAPJYEV-HXUWFJFHSA-N 2 0 362.518 0.969 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631545 1210767756 /nfs/dbraw/zinc/76/77/56/1210767756.db2.gz NTGPJPHXGBCUHE-KRWDZBQOSA-N 2 0 356.470 0.549 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000884630048 1210768032 /nfs/dbraw/zinc/76/80/32/1210768032.db2.gz UYVPCXIHBHYEJB-ZBFHGGJFSA-N 2 0 362.474 0.234 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000884653044 1210773561 /nfs/dbraw/zinc/77/35/61/1210773561.db2.gz OMXFMFMXPNLTSD-LAUBAEHRSA-N 2 0 370.497 0.835 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000884669700 1210775509 /nfs/dbraw/zinc/77/55/09/1210775509.db2.gz DNAKBYOYJDOBHC-KZNAEPCWSA-N 2 0 358.486 0.806 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000884669701 1210775981 /nfs/dbraw/zinc/77/59/81/1210775981.db2.gz DNAKBYOYJDOBHC-SQNIBIBYSA-N 2 0 358.486 0.806 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000884678505 1210778538 /nfs/dbraw/zinc/77/85/38/1210778538.db2.gz DKKYUVYSFLOHMM-ROUUACIJSA-N 2 0 374.485 0.166 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000884683794 1210780536 /nfs/dbraw/zinc/78/05/36/1210780536.db2.gz NWWQGCIZKRYGJX-JYJNAYRXSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884697531 1210783050 /nfs/dbraw/zinc/78/30/50/1210783050.db2.gz AXZLGYLNTQNJQX-OXFYSEKESA-N 2 0 358.486 0.678 20 0 FCADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000884699008 1210783961 /nfs/dbraw/zinc/78/39/61/1210783961.db2.gz WEANZAVGLNJGBN-YOEHRIQHSA-N 2 0 362.474 0.023 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706223 1210784612 /nfs/dbraw/zinc/78/46/12/1210784612.db2.gz VVVZVTCTLAXXIG-LSDHHAIUSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000884712362 1210786040 /nfs/dbraw/zinc/78/60/40/1210786040.db2.gz PCJHBKIVKFDLEP-DNVCBOLYSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884719305 1210787989 /nfs/dbraw/zinc/78/79/89/1210787989.db2.gz HTVXZWJEOXCLET-FPAYPSAMSA-N 2 0 372.513 0.985 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000884720725 1210788339 /nfs/dbraw/zinc/78/83/39/1210788339.db2.gz TUWBYYADBAYKCJ-SZMVWBNQSA-N 2 0 358.486 0.800 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884722656 1210789875 /nfs/dbraw/zinc/78/98/75/1210789875.db2.gz GTNZXWOFGVGQNF-JFIYKMOQSA-N 2 0 360.502 0.985 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@H]21 ZINC000884725993 1210790393 /nfs/dbraw/zinc/79/03/93/1210790393.db2.gz DLIOEDFUROUJHE-GRBKSZCHSA-N 2 0 374.529 0.809 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725898 1210790910 /nfs/dbraw/zinc/79/09/10/1210790910.db2.gz BSCVXMUBBSHVGQ-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)cc1 ZINC000884752814 1210792704 /nfs/dbraw/zinc/79/27/04/1210792704.db2.gz ZJSWDHDXPTUVFI-QGZVFWFLSA-N 2 0 358.486 0.931 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000884787090 1210795102 /nfs/dbraw/zinc/79/51/02/1210795102.db2.gz GRIVGEBGRPYYHK-HZPDHXFCSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884797181 1210796934 /nfs/dbraw/zinc/79/69/34/1210796934.db2.gz QIPZQCYTPQKRMO-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833005 1210799816 /nfs/dbraw/zinc/79/98/16/1210799816.db2.gz DVGQQFNNXRDSRA-YSHGAJCASA-N 2 0 370.497 0.691 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884833581 1210800432 /nfs/dbraw/zinc/80/04/32/1210800432.db2.gz MMRVDYPUZXWAJT-NEWSRXKRSA-N 2 0 372.513 0.939 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834566 1210800439 /nfs/dbraw/zinc/80/04/39/1210800439.db2.gz YPLQBVHLXLMAPH-BPQIPLTHSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834568 1210800555 /nfs/dbraw/zinc/80/05/55/1210800555.db2.gz YPLQBVHLXLMAPH-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884839874 1210800729 /nfs/dbraw/zinc/80/07/29/1210800729.db2.gz BMMDMRSODSBZTQ-UHFFFAOYSA-N 2 0 358.486 0.891 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884924012 1210804304 /nfs/dbraw/zinc/80/43/04/1210804304.db2.gz XSBRZXLCJVLXOQ-JYJNAYRXSA-N 2 0 366.506 0.332 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884982908 1210806521 /nfs/dbraw/zinc/80/65/21/1210806521.db2.gz LKLZHGLWZFMMFJ-RYQLBKOJSA-N 2 0 374.485 0.260 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)C2)cc1 ZINC000884982600 1210806559 /nfs/dbraw/zinc/80/65/59/1210806559.db2.gz GHRXAHGMBDYSHF-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884983280 1210806850 /nfs/dbraw/zinc/80/68/50/1210806850.db2.gz QAKJYPQIWKPKRQ-ZWKOTPCHSA-N 2 0 358.486 0.896 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000884983775 1210806887 /nfs/dbraw/zinc/80/68/87/1210806887.db2.gz WDTQKISCVSYSOE-SQNIBIBYSA-N 2 0 356.470 0.506 20 0 FCADRP [NH3+][C@H](C(=O)NCc1ccnc(N2CCCCCC2=O)c1)C1CC[NH2+]CC1 ZINC001221153777 1225242175 /nfs/dbraw/zinc/24/21/75/1225242175.db2.gz PWCQDQRGPQBEQQ-SFHVURJKSA-N 2 0 359.474 0.932 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140735 1210811807 /nfs/dbraw/zinc/81/18/07/1210811807.db2.gz XNPRBQRRDJPEBF-CVEARBPZSA-N 2 0 366.506 0.109 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143463 1210812096 /nfs/dbraw/zinc/81/20/96/1210812096.db2.gz FYPSQXKPVXJJLO-MRXNPFEDSA-N 2 0 366.506 0.062 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000885152328 1210813031 /nfs/dbraw/zinc/81/30/31/1210813031.db2.gz KAUVSNPEIAUGSQ-VQIMIIECSA-N 2 0 370.497 0.761 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167833 1210814554 /nfs/dbraw/zinc/81/45/54/1210814554.db2.gz PRRVOSRHVRQUMH-GBESFXJTSA-N 2 0 370.497 0.760 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000885280419 1210817118 /nfs/dbraw/zinc/81/71/18/1210817118.db2.gz OUJRFNFDIFYVBW-GJZGRUSLSA-N 2 0 372.460 0.538 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000885286630 1210817587 /nfs/dbraw/zinc/81/75/87/1210817587.db2.gz ZAOZLLINODTHDK-CQSZACIVSA-N 2 0 372.460 0.824 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)ccn2)CC1 ZINC000885865720 1210820320 /nfs/dbraw/zinc/82/03/20/1210820320.db2.gz LOENBVSTOJKKSV-SFHVURJKSA-N 2 0 373.501 0.817 20 0 FCADRP O=C(CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000886872537 1210838871 /nfs/dbraw/zinc/83/88/71/1210838871.db2.gz VBERJJUIZUFPNN-HXUWFJFHSA-N 2 0 372.517 0.981 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000887061400 1210844128 /nfs/dbraw/zinc/84/41/28/1210844128.db2.gz VHNGIRLVSIWWGJ-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064987 1210844780 /nfs/dbraw/zinc/84/47/80/1210844780.db2.gz SVKCDDYXORBNJX-RYQLBKOJSA-N 2 0 358.486 0.773 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000887091485 1210847093 /nfs/dbraw/zinc/84/70/93/1210847093.db2.gz MCQAXDFBNHPWBX-UZLBHIALSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000887091293 1210847155 /nfs/dbraw/zinc/84/71/55/1210847155.db2.gz GRZDDJZGKMNUJX-HNNXBMFYSA-N 2 0 359.474 0.706 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001274098478 1210880067 /nfs/dbraw/zinc/88/00/67/1210880067.db2.gz PJPGQYDCRUYZEN-DLBZAZTESA-N 2 0 360.502 0.387 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000887632300 1210883903 /nfs/dbraw/zinc/88/39/03/1210883903.db2.gz KBAHBUJXRVNGPC-HOTGVXAUSA-N 2 0 369.510 0.105 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001274160474 1210900849 /nfs/dbraw/zinc/90/08/49/1210900849.db2.gz FSKGVCJAAIXGKC-ZDUSSCGKSA-N 2 0 364.494 0.616 20 0 FCADRP C[C@@H](C(=O)N1Cc2[nH]nc(C(=O)N3CCC([NH+](C)C)CC3)c2C1)[NH+](C)C ZINC001274162573 1210900898 /nfs/dbraw/zinc/90/08/98/1210900898.db2.gz TWJNDAVVVWXDND-LBPRGKRZSA-N 2 0 362.478 0.368 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274178533 1210905491 /nfs/dbraw/zinc/90/54/91/1210905491.db2.gz DSNHMYSXDPUJBH-YRNRMSPPSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@H+]1CC=C(CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890138314 1210968216 /nfs/dbraw/zinc/96/82/16/1210968216.db2.gz WHVWZMUXALIVBD-SFHVURJKSA-N 2 0 365.522 0.344 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3(C)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274401542 1211045430 /nfs/dbraw/zinc/04/54/30/1211045430.db2.gz SKLADFOLTRBTHY-CALCHBBNSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001274408802 1211046071 /nfs/dbraw/zinc/04/60/71/1211046071.db2.gz QWKTVQOPXQDFTH-LJQANCHMSA-N 2 0 364.534 0.870 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221190159 1225262883 /nfs/dbraw/zinc/26/28/83/1225262883.db2.gz CPSVFWXQXLARPI-QOKNQOGYSA-N 2 0 360.458 0.109 20 0 FCADRP CC(C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275064176 1211173684 /nfs/dbraw/zinc/17/36/84/1211173684.db2.gz OZLILWYYGBFVIJ-HXUWFJFHSA-N 2 0 366.550 0.831 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143376 1211179496 /nfs/dbraw/zinc/17/94/96/1211179496.db2.gz UGTVJWMYPGBHHC-QUCCMNQESA-N 2 0 364.534 0.727 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171637 1211187948 /nfs/dbraw/zinc/18/79/48/1211187948.db2.gz KUALGDMCGSWZLB-KSZLIROESA-N 2 0 360.506 0.326 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001275171979 1211188705 /nfs/dbraw/zinc/18/87/05/1211188705.db2.gz QQAKHVCVANQEPW-MRXNPFEDSA-N 2 0 359.474 0.067 20 0 FCADRP Cc1ncc(CO)c(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1O ZINC001275335863 1211217247 /nfs/dbraw/zinc/21/72/47/1211217247.db2.gz XBHFCAHUXMBWEE-IBGZPJMESA-N 2 0 362.474 0.574 20 0 FCADRP COc1cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)ccn1 ZINC001275404808 1211232191 /nfs/dbraw/zinc/23/21/91/1211232191.db2.gz FNHBAZLIBNICQK-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP CCN(CC)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH+]ccc1N ZINC001275444436 1211239104 /nfs/dbraw/zinc/23/91/04/1211239104.db2.gz YBODVBATHIMHBW-IAGOWNOFSA-N 2 0 359.474 0.928 20 0 FCADRP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275556451 1211256305 /nfs/dbraw/zinc/25/63/05/1211256305.db2.gz KYHOOCXWKPPONJ-ZACQAIPSSA-N 2 0 367.490 0.582 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)CC1 ZINC001275556905 1211256416 /nfs/dbraw/zinc/25/64/16/1211256416.db2.gz QBTRLVJAFCRYFQ-LJQANCHMSA-N 2 0 361.490 0.528 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4c(c3)CCO4)C2)OCC1=O ZINC001275715324 1211274593 /nfs/dbraw/zinc/27/45/93/1211274593.db2.gz OEYFQVWPMHYGGA-HXUWFJFHSA-N 2 0 359.470 0.986 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C24CCC[NH+]2CCC4)C3)CC1 ZINC001275721471 1211274852 /nfs/dbraw/zinc/27/48/52/1211274852.db2.gz CMRHMAQTVSRQBO-DNVCBOLYSA-N 2 0 360.502 0.674 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C24CCC[NH+]2CCC4)C3)CC1 ZINC001275722776 1211275168 /nfs/dbraw/zinc/27/51/68/1211275168.db2.gz VEQHFUILEOCRBJ-MRXNPFEDSA-N 2 0 360.502 0.674 20 0 FCADRP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736756 1211278910 /nfs/dbraw/zinc/27/89/10/1211278910.db2.gz GSVPMIONKPSMPL-IFXJQAMLSA-N 2 0 365.474 0.636 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738038 1211279140 /nfs/dbraw/zinc/27/91/40/1211279140.db2.gz SCGBHINZJISFJA-IBGZPJMESA-N 2 0 361.490 0.471 20 0 FCADRP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737828 1211279322 /nfs/dbraw/zinc/27/93/22/1211279322.db2.gz OWKJWSSEVPKDNR-LJQANCHMSA-N 2 0 364.490 0.305 20 0 FCADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221246254 1225280274 /nfs/dbraw/zinc/28/02/74/1225280274.db2.gz VOZOZJMUDFSUJO-MAUKXSAKSA-N 2 0 358.490 0.568 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CCN(CC[NH+](C)C)CC2 ZINC001275842106 1211295826 /nfs/dbraw/zinc/29/58/26/1211295826.db2.gz HLPNIJTXAVYHAH-INIZCTEOSA-N 2 0 368.522 0.213 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CCn2ccnc2)CC1 ZINC001275877611 1211303596 /nfs/dbraw/zinc/30/35/96/1211303596.db2.gz DQYMVJIVZXJCNH-UHFFFAOYSA-N 2 0 361.490 0.528 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN(COCCOC)C(=O)CO3)CC1 ZINC001275881268 1211305177 /nfs/dbraw/zinc/30/51/77/1211305177.db2.gz YQORPRYLIZNRDN-IBGZPJMESA-N 2 0 369.506 0.642 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001095424207 1211334103 /nfs/dbraw/zinc/33/41/03/1211334103.db2.gz IKRPOODXWDDCRJ-YRXWBPOGSA-N 2 0 372.517 0.958 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)n1 ZINC001095438729 1211341096 /nfs/dbraw/zinc/34/10/96/1211341096.db2.gz FXDZPUPMCGSXNG-FUEZWAHWSA-N 2 0 360.506 0.957 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C3)CC1 ZINC001276057264 1211342602 /nfs/dbraw/zinc/34/26/02/1211342602.db2.gz MSENBMMSBRTGFV-RNKNFESXSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)O1 ZINC001095611067 1211426239 /nfs/dbraw/zinc/42/62/39/1211426239.db2.gz BNPKJEOEAYFNSC-UHDSXZAQSA-N 2 0 364.490 0.049 20 0 FCADRP COc1ccc([C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)[NH+](C)C)cc1OC ZINC000924438415 1211469184 /nfs/dbraw/zinc/46/91/84/1211469184.db2.gz ZCSUSYMNTMWIJY-KGLIPLIRSA-N 2 0 364.446 0.789 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926368896 1211540608 /nfs/dbraw/zinc/54/06/08/1211540608.db2.gz YCMYERRFLSYHBD-LHHMISFZSA-N 2 0 360.502 0.530 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001110956372 1211614686 /nfs/dbraw/zinc/61/46/86/1211614686.db2.gz FXVAPLWYBLQJCP-VQHPVUNQSA-N 2 0 361.490 0.307 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001110956723 1211615052 /nfs/dbraw/zinc/61/50/52/1211615052.db2.gz WVPDKEPJPUHUDE-HZMVEIRTSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCOC1 ZINC001110961696 1211617450 /nfs/dbraw/zinc/61/74/50/1211617450.db2.gz DXDPWHAIZFVFGC-HZMVEIRTSA-N 2 0 366.506 0.202 20 0 FCADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001221365945 1225303236 /nfs/dbraw/zinc/30/32/36/1225303236.db2.gz LHTHTTHZCUEQAE-HOTGVXAUSA-N 2 0 361.442 0.497 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221390763 1225304743 /nfs/dbraw/zinc/30/47/43/1225304743.db2.gz HSBOCLYLNNTFEU-UZLBHIALSA-N 3 0 372.517 0.776 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976198 1211653047 /nfs/dbraw/zinc/65/30/47/1211653047.db2.gz GMIIXGBASOJQBS-TVFCKZIOSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+]1CCC(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000929682705 1211654868 /nfs/dbraw/zinc/65/48/68/1211654868.db2.gz IFTJZQORPLMNON-UHFFFAOYSA-N 2 0 361.490 0.560 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC001221392839 1225305156 /nfs/dbraw/zinc/30/51/56/1225305156.db2.gz NXSAVXGCGOJJDP-UHFFFAOYSA-N 2 0 368.485 0.673 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)C3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)[NH2+]C1 ZINC001221391887 1225305440 /nfs/dbraw/zinc/30/54/40/1225305440.db2.gz HDOKWMFKCZYPJU-GOSISDBHSA-N 2 0 359.518 0.629 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000930745058 1211720243 /nfs/dbraw/zinc/72/02/43/1211720243.db2.gz WKXYQILJEPNKMJ-UHFFFAOYSA-N 2 0 359.474 0.754 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931607873 1211762705 /nfs/dbraw/zinc/76/27/05/1211762705.db2.gz ODBRNCWZTNLLHZ-HNNXBMFYSA-N 2 0 361.490 0.954 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000931610846 1211763477 /nfs/dbraw/zinc/76/34/77/1211763477.db2.gz HYXPJOOASCRFOJ-YOEHRIQHSA-N 2 0 359.474 0.707 20 0 FCADRP Cc1nc2ccccn2c1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000934168524 1211858129 /nfs/dbraw/zinc/85/81/29/1211858129.db2.gz OEYWTWDKJBJHPO-UHFFFAOYSA-N 2 0 374.489 0.211 20 0 FCADRP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935365662 1211876789 /nfs/dbraw/zinc/87/67/89/1211876789.db2.gz KBTIIRJHLLPJGO-YESZJQIVSA-N 2 0 368.522 0.325 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)cc2)CC1 ZINC000796579059 1212037351 /nfs/dbraw/zinc/03/73/51/1212037351.db2.gz BHSMKGQQBJMTEZ-HXUWFJFHSA-N 2 0 373.501 0.964 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)NCC1CCC1 ZINC001111281424 1212233450 /nfs/dbraw/zinc/23/34/50/1212233450.db2.gz RMBNSZLMUFYBHP-ZACQAIPSSA-N 2 0 360.502 0.720 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000949532862 1212401647 /nfs/dbraw/zinc/40/16/47/1212401647.db2.gz LITKGWPFFWVMLN-YYIAUSFCSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001007370192 1212463984 /nfs/dbraw/zinc/46/39/84/1212463984.db2.gz XFMBTGIPXFJNEU-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001007481520 1212503449 /nfs/dbraw/zinc/50/34/49/1212503449.db2.gz MKXMLFMDDHWGSY-QRFRQXIXSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000950391003 1212566351 /nfs/dbraw/zinc/56/63/51/1212566351.db2.gz PYCMYDMMGAPMBS-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007851847 1212592430 /nfs/dbraw/zinc/59/24/30/1212592430.db2.gz LLJQHDRVVQJXJB-YRNRMSPPSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC001009121347 1212807669 /nfs/dbraw/zinc/80/76/69/1212807669.db2.gz TYQVASBFFDDIRO-HHARLNAUSA-N 2 0 362.518 0.632 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001009287191 1212832328 /nfs/dbraw/zinc/83/23/28/1212832328.db2.gz USQCAZXPJGSLEA-UWVAXJGDSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000951735010 1212867662 /nfs/dbraw/zinc/86/76/62/1212867662.db2.gz CURUVKAZAZPZRX-QLFBSQMISA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001111409398 1212994539 /nfs/dbraw/zinc/99/45/39/1212994539.db2.gz TWBZUYLSFRFNHZ-MLHJIOFPSA-N 2 0 361.490 0.573 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647295 1225417677 /nfs/dbraw/zinc/41/76/77/1225417677.db2.gz WSEUVCRBYSMZCN-FGTMMUONSA-N 2 0 366.506 0.156 20 0 FCADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000954269464 1213054345 /nfs/dbraw/zinc/05/43/45/1213054345.db2.gz ZKVLSTRBEAVBAU-HZPDHXFCSA-N 2 0 359.474 0.914 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000641806040 1213216171 /nfs/dbraw/zinc/21/61/71/1213216171.db2.gz BCSWVIXHGOAVSF-FGTMMUONSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000957070458 1213243810 /nfs/dbraw/zinc/24/38/10/1213243810.db2.gz ABQHMJKYDOFGBL-ZIAGYGMSSA-N 2 0 359.474 0.746 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001691742563 1213261888 /nfs/dbraw/zinc/26/18/88/1213261888.db2.gz BHLIIJIYGVZOFB-LXTVHRRPSA-N 2 0 368.503 0.443 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000958218514 1213391401 /nfs/dbraw/zinc/39/14/01/1213391401.db2.gz LGLSIHFCWRTONH-HLLBOEOZSA-N 2 0 366.506 0.012 20 0 FCADRP COCC[N@@H+]1CCC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276356965 1213446377 /nfs/dbraw/zinc/44/63/77/1213446377.db2.gz CMFNUGFZTZCWRN-FQEVSTJZSA-N 2 0 366.550 0.975 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1=O ZINC001221771856 1225475890 /nfs/dbraw/zinc/47/58/90/1225475890.db2.gz IIUDJZZUTUEKOU-IAGOWNOFSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001221771607 1225476655 /nfs/dbraw/zinc/47/66/55/1225476655.db2.gz DCPOUSQZWZVCNC-BZUAXINKSA-N 2 0 358.490 0.640 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001221773039 1225477454 /nfs/dbraw/zinc/47/74/54/1225477454.db2.gz WBKNLQGGBMNYDA-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)CC[NH+](C)C)[C@@H]4C3)ccc21 ZINC001221788491 1225481447 /nfs/dbraw/zinc/48/14/47/1225481447.db2.gz UFYZDLFKDDWWBX-CRAIPNDOSA-N 2 0 356.474 0.953 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC001011177947 1213838417 /nfs/dbraw/zinc/83/84/17/1213838417.db2.gz FQABYARKWHWTCB-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC001017488815 1214103418 /nfs/dbraw/zinc/10/34/18/1214103418.db2.gz LPVSKSFYGBLRTQ-CRAIPNDOSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419537668 1214216333 /nfs/dbraw/zinc/21/63/33/1214216333.db2.gz VYODGMHGCSUNIC-HGHGUNKESA-N 2 0 370.497 0.978 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664740 1214260692 /nfs/dbraw/zinc/26/06/92/1214260692.db2.gz HKAVDSMTYKWWAW-WCXIOVBPSA-N 2 0 362.518 0.728 20 0 FCADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020166071 1214315583 /nfs/dbraw/zinc/31/55/83/1214315583.db2.gz NOKIOUNBIUJWJF-MTSZKFMLSA-N 2 0 366.506 0.234 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)ccc2c[nH+]cn21 ZINC000961965196 1214381685 /nfs/dbraw/zinc/38/16/85/1214381685.db2.gz RAKNBLJNEPKGRX-IKGGRYGDSA-N 2 0 371.441 0.038 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039857602 1214447168 /nfs/dbraw/zinc/44/71/68/1214447168.db2.gz FAXVZUQBQDYTRI-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCn2cncn2)C3)CC[N@@H+]1C ZINC001040211799 1214484623 /nfs/dbraw/zinc/48/46/23/1214484623.db2.gz ZTNJPWBUYSTRMQ-LMMKCTJWSA-N 2 0 360.506 0.933 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040428926 1214508513 /nfs/dbraw/zinc/50/85/13/1214508513.db2.gz DGCRKRKXFCVNDW-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+]1CCCCCC1 ZINC000963487477 1214814951 /nfs/dbraw/zinc/81/49/51/1214814951.db2.gz VTQXDDUMBDIGEM-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1=O ZINC000964016597 1214887155 /nfs/dbraw/zinc/88/71/55/1214887155.db2.gz MQIKJERCRDKFIU-BCEGUSRUSA-N 2 0 357.458 0.761 20 0 FCADRP O=C(NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000964016579 1214887164 /nfs/dbraw/zinc/88/71/64/1214887164.db2.gz LUJOMFBAYMPDKQ-VIGHMNKUSA-N 2 0 371.441 0.335 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001276826917 1225583570 /nfs/dbraw/zinc/58/35/70/1225583570.db2.gz IDKHPZVNAIWWQI-INIZCTEOSA-N 2 0 369.506 0.567 20 0 FCADRP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)CCC[NH+](C)C)CC1 ZINC001055626070 1215892719 /nfs/dbraw/zinc/89/27/19/1215892719.db2.gz NLZJMBMXFDBLPD-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+]([C@@H]4CCCNC4=O)CC3)CC2)CC[N@@H+]1C ZINC001000162102 1216013940 /nfs/dbraw/zinc/01/39/40/1216013940.db2.gz UHQPMDJQWMEKBS-DJIMGWMZSA-N 2 0 362.518 0.966 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[C@@H]4[NH2+]CCO[C@H]4C3)cnc12 ZINC001222696920 1225646349 /nfs/dbraw/zinc/64/63/49/1225646349.db2.gz QAFJFTKIWZPDRP-WMZOPIPTSA-N 2 0 356.474 0.759 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnc(C)cn3)C2)CC[N@@H+]1C ZINC001051623639 1216468700 /nfs/dbraw/zinc/46/87/00/1216468700.db2.gz IAKYNYGJKUOMDY-FGTMMUONSA-N 2 0 361.490 0.832 20 0 FCADRP COc1cccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625291 1216470230 /nfs/dbraw/zinc/47/02/30/1216470230.db2.gz YNLAZUNJYJFNDP-HYVNUMGLSA-N 2 0 362.474 0.747 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1C ZINC001057745792 1216535641 /nfs/dbraw/zinc/53/56/41/1216535641.db2.gz AUKNFHLWNNCZAP-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC001058286426 1216664238 /nfs/dbraw/zinc/66/42/38/1216664238.db2.gz OFTAFRUTXGKGHN-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885103 1216765261 /nfs/dbraw/zinc/76/52/61/1216765261.db2.gz NQNLHTQVPAAXNE-BZUAXINKSA-N 2 0 366.506 0.153 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223984570 1225751020 /nfs/dbraw/zinc/75/10/20/1225751020.db2.gz FKLFLMHOTRTANZ-CVEARBPZSA-N 2 0 364.490 0.400 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001224246034 1225767431 /nfs/dbraw/zinc/76/74/31/1225767431.db2.gz RJPMQSHEDOBGFE-SJORKVTESA-N 2 0 366.506 0.108 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001045440798 1217929087 /nfs/dbraw/zinc/92/90/87/1217929087.db2.gz PGULFZAGWUXKNC-JKSUJKDBSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001045445205 1217929664 /nfs/dbraw/zinc/92/96/64/1217929664.db2.gz YZLJCUKKWYHOHW-HUUCEWRRSA-N 2 0 364.490 0.446 20 0 FCADRP O=C(CNC(=O)N1CCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455038 1217990451 /nfs/dbraw/zinc/99/04/51/1217990451.db2.gz MSQVLKWZNKFKNK-UHFFFAOYSA-N 2 0 374.489 0.515 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000900680737 1218023401 /nfs/dbraw/zinc/02/34/01/1218023401.db2.gz HNRMOPYWDZPVQU-MRXNPFEDSA-N 2 0 369.506 0.831 20 0 FCADRP C[C@@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000900693457 1218024960 /nfs/dbraw/zinc/02/49/60/1218024960.db2.gz SQRZCAGQKBRPEB-VIQWUECVSA-N 2 0 366.550 0.877 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000900967305 1218063446 /nfs/dbraw/zinc/06/34/46/1218063446.db2.gz VWNPPRWZNCBCLA-IBGZPJMESA-N 2 0 366.550 0.973 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001096355745 1218262573 /nfs/dbraw/zinc/26/25/73/1218262573.db2.gz BWRNZYANKVGHBR-NCOADZHNSA-N 2 0 360.502 0.720 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001225346296 1225808001 /nfs/dbraw/zinc/80/80/01/1225808001.db2.gz LZCBJDQGMMAVGN-KFWWJZLASA-N 2 0 365.478 0.086 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829892 1218324109 /nfs/dbraw/zinc/32/41/09/1218324109.db2.gz BXNHVBDBVJCJNA-IGKNDFSCSA-N 2 0 362.518 0.728 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829345 1218324611 /nfs/dbraw/zinc/32/46/11/1218324611.db2.gz NLONCIRJHFREAG-NKGKWGDASA-N 2 0 360.506 0.625 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2O)CC[N@@H+]1C ZINC001048922890 1218342119 /nfs/dbraw/zinc/34/21/19/1218342119.db2.gz BFCUEILBAAIKHV-YVSFHVDLSA-N 2 0 368.522 0.089 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001049485077 1218462184 /nfs/dbraw/zinc/46/21/84/1218462184.db2.gz KUHMTSBFWOSAEP-VQHPVUNQSA-N 2 0 363.506 0.417 20 0 FCADRP NC(=O)C1(N2CCCCC2)CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903782923 1218525163 /nfs/dbraw/zinc/52/51/63/1218525163.db2.gz UICVIJXZMYCWJZ-KRWDZBQOSA-N 2 0 364.534 0.951 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4nccn43)C2)OCC1=O ZINC001277113063 1225838083 /nfs/dbraw/zinc/83/80/83/1225838083.db2.gz VQPZKRYIDDVIOD-LJQANCHMSA-N 2 0 357.458 0.699 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001097085560 1218685921 /nfs/dbraw/zinc/68/59/21/1218685921.db2.gz IKRPOODXWDDCRJ-MKXGPGLRSA-N 2 0 372.517 0.958 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC001226347724 1225841018 /nfs/dbraw/zinc/84/10/18/1225841018.db2.gz CGTRAXAXLICWNO-HZPDHXFCSA-N 2 0 361.490 0.867 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001226554682 1225846476 /nfs/dbraw/zinc/84/64/76/1225846476.db2.gz SNPASQOTAHATEI-BZUAXINKSA-N 2 0 371.501 0.709 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001097564921 1218820024 /nfs/dbraw/zinc/82/00/24/1218820024.db2.gz YLVBCBCKKRCUMA-COXLTSFISA-N 2 0 371.485 0.468 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1=O ZINC001277146286 1225851390 /nfs/dbraw/zinc/85/13/90/1225851390.db2.gz GJVMZNSMQOPRCN-SFHVURJKSA-N 2 0 363.462 0.654 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CCC1 ZINC001226783173 1225854212 /nfs/dbraw/zinc/85/42/12/1225854212.db2.gz UWMTYUVUQGAVRS-HZPDHXFCSA-N 2 0 366.506 0.347 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001226892172 1225857323 /nfs/dbraw/zinc/85/73/23/1225857323.db2.gz ZJNBPUQMMRBVFG-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001227057229 1225862355 /nfs/dbraw/zinc/86/23/55/1225862355.db2.gz RFKZGEMKXASSST-RBSFLKMASA-N 2 0 367.494 0.286 20 0 FCADRP CC(C)[C@@H](O)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583376 1219088008 /nfs/dbraw/zinc/08/80/08/1219088008.db2.gz LKMGZBRSNAMJKY-DJIMGWMZSA-N 2 0 368.522 0.040 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227093082 1225863932 /nfs/dbraw/zinc/86/39/32/1225863932.db2.gz ZRGALYCDEDGINV-BRWVUGGUSA-N 2 0 368.522 0.640 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000804053036 1219106666 /nfs/dbraw/zinc/10/66/66/1219106666.db2.gz IDFISEXNXPTOOC-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000804057592 1219110554 /nfs/dbraw/zinc/11/05/54/1219110554.db2.gz AZRMTDACWDJKNX-YYIAUSFCSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059899 1219114003 /nfs/dbraw/zinc/11/40/03/1219114003.db2.gz ONKOTVHTCMTIMF-VQHPVUNQSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061307 1219116784 /nfs/dbraw/zinc/11/67/84/1219116784.db2.gz XITUSVSYCPVPPR-IAGOWNOFSA-N 2 0 364.490 0.053 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061309 1219116867 /nfs/dbraw/zinc/11/68/67/1219116867.db2.gz XITUSVSYCPVPPR-SJORKVTESA-N 2 0 364.490 0.053 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097087 1219167847 /nfs/dbraw/zinc/16/78/47/1219167847.db2.gz BEVNQCZOMSYMJY-OIISXLGYSA-N 2 0 362.478 0.140 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070275309 1219342192 /nfs/dbraw/zinc/34/21/92/1219342192.db2.gz FYEKAVDGYCVRJC-JKIFEVAISA-N 2 0 370.448 0.802 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327164 1219377202 /nfs/dbraw/zinc/37/72/02/1219377202.db2.gz VSMFWNRZCHPDDH-NXHRZFHOSA-N 2 0 369.473 0.475 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070475374 1219426312 /nfs/dbraw/zinc/42/63/12/1219426312.db2.gz QCQRDCCUSITCPZ-CGTJXYLNSA-N 2 0 371.489 0.332 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4c[nH]nc43)C2)OCC1=O ZINC001277263079 1225893872 /nfs/dbraw/zinc/89/38/72/1225893872.db2.gz ZAODIJCGZLHWFT-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+]1CCCCCC1 ZINC001070697896 1219530627 /nfs/dbraw/zinc/53/06/27/1219530627.db2.gz YAXXXYWDIIDPMW-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]CCO ZINC001070702155 1219531798 /nfs/dbraw/zinc/53/17/98/1219531798.db2.gz OOQFVAPCVDKNNX-QZTJIDSGSA-N 2 0 371.485 0.672 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917992 1219572988 /nfs/dbraw/zinc/57/29/88/1219572988.db2.gz QFLMRQVYYZCTNX-BBWFWOEESA-N 2 0 364.490 0.843 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC1 ZINC001071096739 1219606036 /nfs/dbraw/zinc/60/60/36/1219606036.db2.gz VGJPKCKCCVARKW-MJGOQNOKSA-N 2 0 369.506 0.075 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239094 1225904911 /nfs/dbraw/zinc/90/49/11/1225904911.db2.gz OEVWPTOALGNTHM-BRWVUGGUSA-N 2 0 371.522 0.369 20 0 FCADRP CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074603459 1219701487 /nfs/dbraw/zinc/70/14/87/1219701487.db2.gz KMMDUBIYWIKAIA-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001098841216 1219837879 /nfs/dbraw/zinc/83/78/79/1219837879.db2.gz DJYIDHJOLRTLSO-QKLQHJQFSA-N 2 0 360.502 0.531 20 0 FCADRP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001098841175 1219837987 /nfs/dbraw/zinc/83/79/87/1219837987.db2.gz BXQXDSRTFOFEMZ-VPWXQRGCSA-N 2 0 360.502 0.578 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099008272 1219887609 /nfs/dbraw/zinc/88/76/09/1219887609.db2.gz GEQCQGKDLVZIAG-UVFQYZLESA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099029539 1219892850 /nfs/dbraw/zinc/89/28/50/1219892850.db2.gz DLKJHSZLOJKQAU-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001099454470 1220003297 /nfs/dbraw/zinc/00/32/97/1220003297.db2.gz JVAAUSJDWSMUGZ-DAYGRLMNSA-N 2 0 361.494 0.413 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228602027 1225935892 /nfs/dbraw/zinc/93/58/92/1225935892.db2.gz AFQHJIVQLINIMC-CGTJXYLNSA-N 2 0 368.522 0.498 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001099525674 1220023606 /nfs/dbraw/zinc/02/36/06/1220023606.db2.gz PNMMSZMXXFRJFZ-KXBFYZLASA-N 2 0 358.490 0.629 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101272639 1220259792 /nfs/dbraw/zinc/25/97/92/1220259792.db2.gz VPKUJIZTKMBKLF-UWVAXJGDSA-N 2 0 364.534 0.879 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101277740 1220263294 /nfs/dbraw/zinc/26/32/94/1220263294.db2.gz WQDUPMNBKJRAMH-HLIPFELVSA-N 2 0 364.534 0.975 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101310539 1220280694 /nfs/dbraw/zinc/28/06/94/1220280694.db2.gz LRJUPGUMESWXRX-KPFFTGBYSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364631 1220302384 /nfs/dbraw/zinc/30/23/84/1220302384.db2.gz WXPPWMZHFSJKKP-HLIPFELVSA-N 2 0 364.534 0.975 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101400013 1220324432 /nfs/dbraw/zinc/32/44/32/1220324432.db2.gz CGEIRSLLNQUJGY-MJGOQNOKSA-N 2 0 368.522 0.261 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101418260 1220332692 /nfs/dbraw/zinc/33/26/92/1220332692.db2.gz ITTXIETUPJUUOD-APWZRJJASA-N 2 0 367.538 0.816 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429950 1220339946 /nfs/dbraw/zinc/33/99/46/1220339946.db2.gz IARSONGNPORXFQ-HLIPFELVSA-N 2 0 364.534 0.977 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432226 1220341429 /nfs/dbraw/zinc/34/14/29/1220341429.db2.gz IDOIXBOPCJMICH-APWZRJJASA-N 2 0 368.522 0.117 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819601 1220409322 /nfs/dbraw/zinc/40/93/22/1220409322.db2.gz NZAGGUWYNHVSJA-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976319 1220449345 /nfs/dbraw/zinc/44/93/45/1220449345.db2.gz WXQISATYPFXTSD-OLMNPRSZSA-N 2 0 362.518 0.539 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976345 1220449374 /nfs/dbraw/zinc/44/93/74/1220449374.db2.gz YNUFNHUPJMKHPY-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982738 1220452738 /nfs/dbraw/zinc/45/27/38/1220452738.db2.gz GTQTXEKIIMSEBD-QBPKDAKJSA-N 2 0 368.522 0.163 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013191 1220461824 /nfs/dbraw/zinc/46/18/24/1220461824.db2.gz OUEYQBUDRXVBDS-BFYDXBDKSA-N 2 0 370.513 0.971 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059184 1220480922 /nfs/dbraw/zinc/48/09/22/1220480922.db2.gz FNEWWQGCMRHYRD-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102086017 1220490934 /nfs/dbraw/zinc/49/09/34/1220490934.db2.gz MZQPSEBSEHPOSW-IAGOWNOFSA-N 2 0 371.522 0.038 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320660 1220582580 /nfs/dbraw/zinc/58/25/80/1220582580.db2.gz NCMASVFXQRISIP-ZACQAIPSSA-N 2 0 367.490 0.793 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433566 1220623273 /nfs/dbraw/zinc/62/32/73/1220623273.db2.gz AADWBZSJRJPFPN-FVQBIDKESA-N 2 0 364.490 0.208 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473524 1220644207 /nfs/dbraw/zinc/64/42/07/1220644207.db2.gz DIPXOYXWZHECEQ-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513910 1220673398 /nfs/dbraw/zinc/67/33/98/1220673398.db2.gz GKRHDMRWAWOGGN-BRWVUGGUSA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514507 1220673699 /nfs/dbraw/zinc/67/36/99/1220673699.db2.gz ZNKYGLGLJHQDHJ-JFIYKMOQSA-N 2 0 360.502 0.911 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521141 1220678890 /nfs/dbraw/zinc/67/88/90/1220678890.db2.gz SFUNCELGAVBGTG-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596655 1220717870 /nfs/dbraw/zinc/71/78/70/1220717870.db2.gz RFOKZIIAXQPNRY-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596767 1220718153 /nfs/dbraw/zinc/71/81/53/1220718153.db2.gz XCRWQLIBUVNGFU-OAGGEKHMSA-N 2 0 364.490 0.352 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103086857 1220830886 /nfs/dbraw/zinc/83/08/86/1220830886.db2.gz UMHVMXCGTFBLNI-XNRPHZJLSA-N 2 0 364.494 0.023 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147990 1220840458 /nfs/dbraw/zinc/84/04/58/1220840458.db2.gz JIZVRJDJYBQYJA-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380442 1220874365 /nfs/dbraw/zinc/87/43/65/1220874365.db2.gz XAOBMIPEXIXGBP-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398444 1220877317 /nfs/dbraw/zinc/87/73/17/1220877317.db2.gz SLIFIHCBZYTCBK-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436128 1220882281 /nfs/dbraw/zinc/88/22/81/1220882281.db2.gz LLHBAGCNDWVTGZ-GVDBMIGSSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520514 1220894752 /nfs/dbraw/zinc/89/47/52/1220894752.db2.gz UAEGYMFGVRXUAV-RBSFLKMASA-N 2 0 364.494 0.006 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550412 1220899203 /nfs/dbraw/zinc/89/92/03/1220899203.db2.gz OLNMYFCDTOOFKA-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584204 1220908580 /nfs/dbraw/zinc/90/85/80/1220908580.db2.gz HIYBBIDLRBTMHJ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103641826 1220924200 /nfs/dbraw/zinc/92/42/00/1220924200.db2.gz FXTWWCVMVSZHEC-BRWVUGGUSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103648937 1220927827 /nfs/dbraw/zinc/92/78/27/1220927827.db2.gz UFOKWJRNLOJIIE-HZPDHXFCSA-N 2 0 364.490 0.844 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654942 1220930647 /nfs/dbraw/zinc/93/06/47/1220930647.db2.gz IXZFIOKHMLUWNK-OAGGEKHMSA-N 2 0 366.506 0.598 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719245 1220951428 /nfs/dbraw/zinc/95/14/28/1220951428.db2.gz WKXWQKLSHXQGKC-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722294 1220952622 /nfs/dbraw/zinc/95/26/22/1220952622.db2.gz GPFIVZJYBBAJNH-HUUCEWRRSA-N 2 0 367.494 0.002 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103755375 1220965551 /nfs/dbraw/zinc/96/55/51/1220965551.db2.gz FAPLDRQXQFESAQ-KZNAEPCWSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001103999801 1220996967 /nfs/dbraw/zinc/99/69/67/1220996967.db2.gz LHHWQEMZNKFBLP-RBSFLKMASA-N 2 0 363.462 0.782 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104202455 1221020852 /nfs/dbraw/zinc/02/08/52/1221020852.db2.gz AYQAZCKCCCMAFW-QGPMSJSTSA-N 2 0 362.518 0.681 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202836 1221021170 /nfs/dbraw/zinc/02/11/70/1221021170.db2.gz RSKURSPOSINKQN-NXHRZFHOSA-N 2 0 364.534 0.929 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751467 1221089550 /nfs/dbraw/zinc/08/95/50/1221089550.db2.gz XCVOYUAKCSLFNJ-QKLQHJQFSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001111907881 1221160927 /nfs/dbraw/zinc/16/09/27/1221160927.db2.gz LOUQBLUENZFRAY-KXBFYZLASA-N 2 0 364.490 0.448 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC001111908517 1221162777 /nfs/dbraw/zinc/16/27/77/1221162777.db2.gz DCPXGBUFIFAFHU-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916812 1221166970 /nfs/dbraw/zinc/16/69/70/1221166970.db2.gz GJRXCPMKJXMQCY-VCBZYWHSSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001111925852 1221172408 /nfs/dbraw/zinc/17/24/08/1221172408.db2.gz MPGJCKHWNQEVKB-LNLFQRSKSA-N 2 0 363.506 0.557 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111947731 1221181692 /nfs/dbraw/zinc/18/16/92/1221181692.db2.gz XYAFHAHKKLDORQ-DOXZYTNZSA-N 2 0 364.490 0.494 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229711169 1226029724 /nfs/dbraw/zinc/02/97/24/1226029724.db2.gz YJBHZPWRLKXTSH-IAGOWNOFSA-N 2 0 366.510 0.490 20 0 FCADRP CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710238 1226030056 /nfs/dbraw/zinc/03/00/56/1226030056.db2.gz PVHUYBQHBFEDJM-HZPDHXFCSA-N 2 0 366.510 0.702 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001229724357 1226030360 /nfs/dbraw/zinc/03/03/60/1226030360.db2.gz NNVSEPVELAMBIU-GVDBMIGSSA-N 2 0 361.490 0.357 20 0 FCADRP CC(=O)N1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC001115926172 1221326078 /nfs/dbraw/zinc/32/60/78/1221326078.db2.gz LAEWCHKMFJICHI-UHFFFAOYSA-N 2 0 365.522 0.855 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001116700764 1221381279 /nfs/dbraw/zinc/38/12/79/1221381279.db2.gz UQTRSTPGXKXEIR-UHFFFAOYSA-N 2 0 373.501 0.849 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001117281251 1221503546 /nfs/dbraw/zinc/50/35/46/1221503546.db2.gz NPARBLJGIBEWBN-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)CCCO1 ZINC001117481938 1221555052 /nfs/dbraw/zinc/55/50/52/1221555052.db2.gz LGZQFVOVMHNLLP-IRXDYDNUSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)CCCO1 ZINC001117481939 1221555233 /nfs/dbraw/zinc/55/52/33/1221555233.db2.gz LGZQFVOVMHNLLP-SJORKVTESA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)[C@H](c3ccccc3)N3CCC(O)CC3)C2)CC1 ZINC001117772256 1221622153 /nfs/dbraw/zinc/62/21/53/1221622153.db2.gz BOGRPWNIKBKQOZ-FQEVSTJZSA-N 2 0 372.513 0.643 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001118277614 1221749100 /nfs/dbraw/zinc/74/91/00/1221749100.db2.gz KCCOHLKPUCBFKA-ICSRJNTNSA-N 2 0 358.486 0.286 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001118286611 1221751077 /nfs/dbraw/zinc/75/10/77/1221751077.db2.gz HDDBEHGJGFYUDR-UHFFFAOYSA-N 2 0 363.510 0.350 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC001118330746 1221761713 /nfs/dbraw/zinc/76/17/13/1221761713.db2.gz YDEUBOXHZMIHNH-GJYPPUQNSA-N 2 0 366.506 0.191 20 0 FCADRP NC(=O)CNC(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC001118387867 1221772376 /nfs/dbraw/zinc/77/23/76/1221772376.db2.gz XTUGSXZYXMDALM-KRWDZBQOSA-N 2 0 360.458 0.245 20 0 FCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118482422 1221786743 /nfs/dbraw/zinc/78/67/43/1221786743.db2.gz MWRMUNONFNWDBJ-UHFFFAOYSA-N 2 0 359.434 0.309 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001118551645 1221799654 /nfs/dbraw/zinc/79/96/54/1221799654.db2.gz PARQMUJOBAONEO-HNNXBMFYSA-N 2 0 361.490 0.382 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001230274669 1226070593 /nfs/dbraw/zinc/07/05/93/1226070593.db2.gz FIHCGJHLQDLJNO-RBSFLKMASA-N 2 0 367.494 0.333 20 0 FCADRP CC[C@H]1COCCN1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119145395 1221877601 /nfs/dbraw/zinc/87/76/01/1221877601.db2.gz VJCAOIFHTAKMLZ-AEFFLSMTSA-N 2 0 368.522 0.897 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC001119353905 1221904370 /nfs/dbraw/zinc/90/43/70/1221904370.db2.gz UWMACYXFCLCNKU-BBWFWOEESA-N 2 0 368.522 0.450 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC001119372124 1221908806 /nfs/dbraw/zinc/90/88/06/1221908806.db2.gz ZWNMFWRXXSXVJE-CRAIPNDOSA-N 2 0 370.457 0.998 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001119610832 1221940564 /nfs/dbraw/zinc/94/05/64/1221940564.db2.gz HMEQTLHICYLVPV-ZBFHGGJFSA-N 2 0 359.474 0.752 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC001120574890 1222105680 /nfs/dbraw/zinc/10/56/80/1222105680.db2.gz RXQCZJOGZSVSLE-NVXWUHKLSA-N 2 0 365.474 0.438 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001120626532 1222110090 /nfs/dbraw/zinc/11/00/90/1222110090.db2.gz RJGQAWJXMUIJCA-APWZRJJASA-N 2 0 359.474 0.447 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001120676218 1222113677 /nfs/dbraw/zinc/11/36/77/1222113677.db2.gz VQOQWBHYUNYKHV-BBWFWOEESA-N 2 0 365.522 0.761 20 0 FCADRP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120774395 1222120291 /nfs/dbraw/zinc/12/02/91/1222120291.db2.gz OMPLQWNNQHZWTO-MKXGPGLRSA-N 2 0 374.529 0.824 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123632002 1222344871 /nfs/dbraw/zinc/34/48/71/1222344871.db2.gz XBVJODOCLNJBNR-HPBDAGMYSA-N 2 0 367.538 0.298 20 0 FCADRP CC(C)C[NH+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC2CC2)CC1 ZINC001123666803 1222347631 /nfs/dbraw/zinc/34/76/31/1222347631.db2.gz KHERBFVTIKLHGD-HNNXBMFYSA-N 2 0 362.478 0.951 20 0 FCADRP CCC[NH+]1C[C@@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2C1 ZINC001161176334 1222406080 /nfs/dbraw/zinc/40/60/80/1222406080.db2.gz SZLLMDGWFMOVCD-KURKYZTESA-N 2 0 358.486 0.473 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc4ccncc4[nH]3)C2)OCC1=O ZINC001277578193 1226132866 /nfs/dbraw/zinc/13/28/66/1226132866.db2.gz ADFGUOLVIOWTAQ-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161206149 1222566145 /nfs/dbraw/zinc/56/61/45/1222566145.db2.gz XKWNMCLSSRXWNP-SFHVURJKSA-N 3 0 364.534 0.677 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475734 1222681738 /nfs/dbraw/zinc/68/17/38/1222681738.db2.gz JPSASEIZWPMOIE-MSOLQXFVSA-N 2 0 368.522 0.776 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C[NH+](C)C ZINC000839483695 1222741148 /nfs/dbraw/zinc/74/11/48/1222741148.db2.gz FIDQGPGAVRFBER-ROUUACIJSA-N 2 0 374.485 0.975 20 0 FCADRP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232361329 1226149229 /nfs/dbraw/zinc/14/92/29/1226149229.db2.gz SVCIMERPLRJBMY-YLJYHZDGSA-N 2 0 373.501 0.560 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000841150017 1222809989 /nfs/dbraw/zinc/80/99/89/1222809989.db2.gz QRWNVDVKEYDEKN-UHFFFAOYSA-N 2 0 373.501 0.964 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151154 1222810294 /nfs/dbraw/zinc/81/02/94/1222810294.db2.gz HZAOXNZULUHLPJ-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000841153864 1222810610 /nfs/dbraw/zinc/81/06/10/1222810610.db2.gz WYTNNQWPKRKWQE-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000841164610 1222811612 /nfs/dbraw/zinc/81/16/12/1222811612.db2.gz VAAUXQSBJUHMRX-QGZVFWFLSA-N 2 0 373.501 0.977 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC000841169457 1222812078 /nfs/dbraw/zinc/81/20/78/1222812078.db2.gz LMFUTMRJXWAYFG-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841190108 1222812753 /nfs/dbraw/zinc/81/27/53/1222812753.db2.gz PULVYCVYAFAAAQ-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC000841210179 1222813699 /nfs/dbraw/zinc/81/36/99/1222813699.db2.gz QQXLQJAWQODOQT-JKSUJKDBSA-N 2 0 373.501 0.976 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164666 1222838204 /nfs/dbraw/zinc/83/82/04/1222838204.db2.gz MGYRKXULOWAKRO-QZTJIDSGSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CC4CC[NH+]2CC4)CC3)CC1 ZINC001142628900 1222846201 /nfs/dbraw/zinc/84/62/01/1222846201.db2.gz NBZUMHZVPVVXCW-GOSISDBHSA-N 2 0 372.517 0.457 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000842475711 1222848323 /nfs/dbraw/zinc/84/83/23/1222848323.db2.gz BDOIJBLKWBMEDS-ZDUSSCGKSA-N 2 0 365.478 0.640 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCOC)[C@@H](C)C2)C1 ZINC000843244211 1222862346 /nfs/dbraw/zinc/86/23/46/1222862346.db2.gz MEOKMZIHCSJFFD-IXDOHACOSA-N 2 0 368.522 0.497 20 0 FCADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346686 1222870812 /nfs/dbraw/zinc/87/08/12/1222870812.db2.gz GTDCQBOHIQTNSW-NWDGAFQWSA-N 2 0 374.445 0.382 20 0 FCADRP C[NH+]1CCN(CCC(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001143236200 1222872760 /nfs/dbraw/zinc/87/27/60/1222872760.db2.gz AYVCHCPSMQGYQG-UHFFFAOYSA-N 2 0 368.522 0.722 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000843389436 1222875242 /nfs/dbraw/zinc/87/52/42/1222875242.db2.gz UTAMOOFNXFASHP-WBVHZDCISA-N 2 0 368.478 0.115 20 0 FCADRP CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2C1 ZINC001149929764 1222892160 /nfs/dbraw/zinc/89/21/60/1222892160.db2.gz ZRNJCKJAFCPGRI-UHFFFAOYSA-N 2 0 365.438 0.735 20 0 FCADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001152645930 1222953470 /nfs/dbraw/zinc/95/34/70/1222953470.db2.gz SYACAGCVSSVKQK-VQTJNVASSA-N 2 0 361.486 0.539 20 0 FCADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001152645932 1222953897 /nfs/dbraw/zinc/95/38/97/1222953897.db2.gz SYACAGCVSSVKQK-WOJBJXKFSA-N 2 0 361.486 0.539 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)c2cncc(N3CC[NH2+]CC3)n2)COC1 ZINC001156632506 1223060548 /nfs/dbraw/zinc/06/05/48/1223060548.db2.gz SPQZVPOAOQBGHD-UHFFFAOYSA-N 2 0 354.458 0.621 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001157323874 1223073813 /nfs/dbraw/zinc/07/38/13/1223073813.db2.gz YYSMBSKWSGRPSO-HOCLYGCPSA-N 2 0 365.478 0.104 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001157352264 1223075125 /nfs/dbraw/zinc/07/51/25/1223075125.db2.gz ZGZWUFOMYOLQKD-INIZCTEOSA-N 2 0 361.490 0.412 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)C(=O)N1CCCC1 ZINC001157371229 1223075510 /nfs/dbraw/zinc/07/55/10/1223075510.db2.gz QCBBRKKSILFFEV-JTDSTZFVSA-N 2 0 366.506 0.381 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157629644 1223079937 /nfs/dbraw/zinc/07/99/37/1223079937.db2.gz PKDWOIAGHFVPEN-INIZCTEOSA-N 2 0 362.474 0.906 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780160 1223082338 /nfs/dbraw/zinc/08/23/38/1223082338.db2.gz CLKBQTHNLIMPNL-MPGHIAIKSA-N 2 0 372.485 0.147 20 0 FCADRP CN(C)c1nc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)nc2nc[nH]c21 ZINC001157838360 1223082921 /nfs/dbraw/zinc/08/29/21/1223082921.db2.gz VDLAVDUTZOAWHZ-UHFFFAOYSA-N 2 0 358.494 0.883 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)CC1 ZINC001157842452 1223083057 /nfs/dbraw/zinc/08/30/57/1223083057.db2.gz QNACPOCRGAYSDI-UHFFFAOYSA-N 3 0 358.534 0.955 20 0 FCADRP COC(=O)C1CCN(c2ccnc(NC(=[NH2+])N3CC[NH+](C)CC3)n2)CC1 ZINC001157915598 1223084041 /nfs/dbraw/zinc/08/40/41/1223084041.db2.gz SVXAGCNFBIXVMP-UHFFFAOYSA-N 2 0 361.450 0.460 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092706 1223088570 /nfs/dbraw/zinc/08/85/70/1223088570.db2.gz PDEMUBNBKDZHEA-SQGPQFPESA-N 2 0 372.469 0.014 20 0 FCADRP O=C(c1ccc(CC2CC[NH2+]CC2)cc1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111927 1223089269 /nfs/dbraw/zinc/08/92/69/1223089269.db2.gz SQSHDKQSCFXVTA-HXUWFJFHSA-N 2 0 356.470 0.533 20 0 FCADRP O=C([C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120470 1223089426 /nfs/dbraw/zinc/08/94/26/1223089426.db2.gz NFYHCENAUFABKV-FIKGOQFSSA-N 2 0 368.481 0.460 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158143623 1223090025 /nfs/dbraw/zinc/09/00/25/1223090025.db2.gz XSNFIDDCHRFTNF-QYZOEREBSA-N 2 0 372.513 0.863 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180505 1223090470 /nfs/dbraw/zinc/09/04/70/1223090470.db2.gz YIVZKVRLMBHZIH-CEXWTWQISA-N 2 0 370.497 0.155 20 0 FCADRP O=C([C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180506 1223090578 /nfs/dbraw/zinc/09/05/78/1223090578.db2.gz YIVZKVRLMBHZIH-GUDVDZBRSA-N 2 0 370.497 0.155 20 0 FCADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001158191714 1223090779 /nfs/dbraw/zinc/09/07/79/1223090779.db2.gz YIBVUQZEVAZITQ-HNNXBMFYSA-N 2 0 365.478 0.851 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c(C)c1 ZINC001158261499 1223092498 /nfs/dbraw/zinc/09/24/98/1223092498.db2.gz MOOIANWPMADUCU-KRWDZBQOSA-N 2 0 368.485 0.886 20 0 FCADRP O=C(c1csc([C@H]2CCC[NH2+]2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276912 1223093612 /nfs/dbraw/zinc/09/36/12/1223093612.db2.gz GPZKGSZQPNQQPS-GFCCVEGCSA-N 2 0 373.486 0.894 20 0 FCADRP Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282088 1223094204 /nfs/dbraw/zinc/09/42/04/1223094204.db2.gz KIKOYUWMUXUWJM-AEFFLSMTSA-N 2 0 363.506 0.763 20 0 FCADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327936 1223094973 /nfs/dbraw/zinc/09/49/73/1223094973.db2.gz RQZQNEZXOKWSDC-GVDBMIGSSA-N 2 0 354.454 0.200 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158327913 1223095069 /nfs/dbraw/zinc/09/50/69/1223095069.db2.gz RFPFFLAXTQSZNV-OTWHNJEPSA-N 2 0 370.497 0.537 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001158329611 1223095284 /nfs/dbraw/zinc/09/52/84/1223095284.db2.gz ADSUKVZHAWPAIJ-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)CC[N@@H+]1C ZINC001158428713 1223097154 /nfs/dbraw/zinc/09/71/54/1223097154.db2.gz PUBHPNRHEAYRLO-VXGBXAGGSA-N 2 0 361.450 0.005 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001158495629 1223099923 /nfs/dbraw/zinc/09/99/23/1223099923.db2.gz AHSLUKRWXICTHM-TVEAVKIZSA-N 2 0 365.474 0.287 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC001158507501 1223100838 /nfs/dbraw/zinc/10/08/38/1223100838.db2.gz YNPXLFGFIMTTPF-XOYOTBSWSA-N 2 0 373.453 0.793 20 0 FCADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533299 1223101651 /nfs/dbraw/zinc/10/16/51/1223101651.db2.gz JZHLWNNNGRVSPZ-IXIUHKBRSA-N 3 0 362.518 0.430 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533820 1223101795 /nfs/dbraw/zinc/10/17/95/1223101795.db2.gz QEJIVNVWSQNBJN-TWFHAPMSSA-N 2 0 372.513 0.862 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546805 1223102541 /nfs/dbraw/zinc/10/25/41/1223102541.db2.gz MJABKRYBDSBFGZ-BKEDOTJMSA-N 2 0 367.490 0.805 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558512 1223102633 /nfs/dbraw/zinc/10/26/33/1223102633.db2.gz PKPUPCAFCYIDNS-IKVWTGGYSA-N 2 0 371.481 0.991 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661651 1223104786 /nfs/dbraw/zinc/10/47/86/1223104786.db2.gz YDHOAIJMGZCKOO-ZDUSSCGKSA-N 2 0 374.445 0.786 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158693989 1223105402 /nfs/dbraw/zinc/10/54/02/1223105402.db2.gz QOJGWCCNSBFIDE-CUSZFKRNSA-N 2 0 366.506 0.332 20 0 FCADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158791537 1223109332 /nfs/dbraw/zinc/10/93/32/1223109332.db2.gz XBAUTDKPXRMFRV-UONOGXRCSA-N 2 0 362.478 0.244 20 0 FCADRP CCOC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)Cc2nn(CC3CC3)cc21 ZINC001158797884 1223109951 /nfs/dbraw/zinc/10/99/51/1223109951.db2.gz CTKRLOFOIBUHSC-RDJZCZTQSA-N 2 0 373.501 0.564 20 0 FCADRP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158842947 1223111151 /nfs/dbraw/zinc/11/11/51/1223111151.db2.gz PVSABTOGZQXOAX-BBRMVZONSA-N 2 0 358.446 0.386 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158855932 1223111435 /nfs/dbraw/zinc/11/14/35/1223111435.db2.gz LXAHRHUTWLBMGG-INIZCTEOSA-N 2 0 362.478 0.084 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([C@@H](N)C[NH3+])cc1)CC2 ZINC001158890920 1223112377 /nfs/dbraw/zinc/11/23/77/1223112377.db2.gz QJGSVWKHSUSJEO-KRWDZBQOSA-N 2 0 373.501 0.462 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159147325 1223119136 /nfs/dbraw/zinc/11/91/36/1223119136.db2.gz XEDCRGUERNXNQA-LJQANCHMSA-N 2 0 359.474 0.504 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159227381 1223121139 /nfs/dbraw/zinc/12/11/39/1223121139.db2.gz FBFDDBYFXISCLL-YQVWRLOYSA-N 2 0 362.474 0.815 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001159284492 1223123234 /nfs/dbraw/zinc/12/32/34/1223123234.db2.gz YWXMOIABPACERW-YJBOKZPZSA-N 2 0 372.473 0.772 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159330213 1223124572 /nfs/dbraw/zinc/12/45/72/1223124572.db2.gz PTRSWQUUIVTIJL-DZGCQCFKSA-N 2 0 366.437 0.816 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338275 1223124589 /nfs/dbraw/zinc/12/45/89/1223124589.db2.gz DBGQPOVYZLYTFB-VZLDODMLSA-N 2 0 370.497 0.799 20 0 FCADRP Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159374552 1223125488 /nfs/dbraw/zinc/12/54/88/1223125488.db2.gz HXUDIFQZLPWKAC-QGZVFWFLSA-N 2 0 372.473 0.396 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404330 1223126020 /nfs/dbraw/zinc/12/60/20/1223126020.db2.gz ZCLLSZPXZAVMEL-UVPYHEFZSA-N 2 0 363.437 0.524 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159387817 1223126109 /nfs/dbraw/zinc/12/61/09/1223126109.db2.gz FTJQQSAYNOUQFA-AWEZNQCLSA-N 2 0 358.450 0.084 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC[C@@H]21 ZINC001159534736 1223129285 /nfs/dbraw/zinc/12/92/85/1223129285.db2.gz QESQXTATOZRQAN-DOADOZAASA-N 2 0 374.533 0.664 20 0 FCADRP O=C(N1Cc2nccn2C[C@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159583985 1223129845 /nfs/dbraw/zinc/12/98/45/1223129845.db2.gz FAHCHEINKKEYLU-SQGPQFPESA-N 2 0 373.501 0.467 20 0 FCADRP O=C(c1n[nH]c2c1C[NH2+]C2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159565529 1223129984 /nfs/dbraw/zinc/12/99/84/1223129984.db2.gz GDUNNOZNFWOMOH-UHFFFAOYSA-N 2 0 355.446 0.898 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159595273 1223130336 /nfs/dbraw/zinc/13/03/36/1223130336.db2.gz RHAJFNQYRKDNSE-BRWVUGGUSA-N 2 0 354.454 0.592 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666251 1223133066 /nfs/dbraw/zinc/13/30/66/1223133066.db2.gz PQWBDWVWOPWOOV-SJORKVTESA-N 2 0 374.489 0.537 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855101 1223138434 /nfs/dbraw/zinc/13/84/34/1223138434.db2.gz HVEZSWAFSQVUMG-NXHRZFHOSA-N 2 0 364.465 0.946 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874164 1223138721 /nfs/dbraw/zinc/13/87/21/1223138721.db2.gz QMWGKYBHQHMEEZ-YJBOKZPZSA-N 2 0 362.478 0.131 20 0 FCADRP c1ccc(N2CC[NH2+]CC2)c(CNc2cncc(N3CC[NH2+]CC3)n2)c1 ZINC001160109104 1223145711 /nfs/dbraw/zinc/14/57/11/1223145711.db2.gz BPFCOKVPPBXFDR-UHFFFAOYSA-N 2 0 353.474 0.908 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175446 1223148311 /nfs/dbraw/zinc/14/83/11/1223148311.db2.gz RPAKOQDCYJAWKG-VNHYZAJKSA-N 2 0 365.478 0.048 20 0 FCADRP Cn1cc(N2C[C@@H]3CN(C(=O)c4ccc([C@@H](N)C[NH3+])cc4)C[C@@H]3C2=O)cn1 ZINC001160219261 1223150316 /nfs/dbraw/zinc/15/03/16/1223150316.db2.gz VUXIOZVLHHNFKZ-XIRDDKMYSA-N 2 0 368.441 0.114 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298887 1223153546 /nfs/dbraw/zinc/15/35/46/1223153546.db2.gz AUSQUBPNAZROGQ-AUUYWEPGSA-N 2 0 374.441 0.437 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298890 1223153805 /nfs/dbraw/zinc/15/38/05/1223153805.db2.gz AUSQUBPNAZROGQ-KUHUBIRLSA-N 2 0 374.441 0.437 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160391083 1223157235 /nfs/dbraw/zinc/15/72/35/1223157235.db2.gz JDJDQVAGAYHCKE-HNNXBMFYSA-N 2 0 368.522 0.674 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160405954 1223157760 /nfs/dbraw/zinc/15/77/60/1223157760.db2.gz NDKCHQHQOLKVLC-ZIAGYGMSSA-N 2 0 355.446 0.827 20 0 FCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160405558 1223157773 /nfs/dbraw/zinc/15/77/73/1223157773.db2.gz IXJOAIDBADKTPB-VIKVFOODSA-N 2 0 353.430 0.165 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160407771 1223158057 /nfs/dbraw/zinc/15/80/57/1223158057.db2.gz CNZAOLURWJWXNX-KGLIPLIRSA-N 2 0 373.436 0.647 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001160424384 1223159267 /nfs/dbraw/zinc/15/92/67/1223159267.db2.gz SKVVLPSXUDZSMX-VINWQNLFSA-N 2 0 357.502 0.687 20 0 FCADRP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160434826 1223159611 /nfs/dbraw/zinc/15/96/11/1223159611.db2.gz HOFBYRSJFGDLML-KXBFYZLASA-N 2 0 368.441 0.789 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160505583 1223163281 /nfs/dbraw/zinc/16/32/81/1223163281.db2.gz ZKQDNXRIFKIPIQ-DLBZAZTESA-N 2 0 368.522 0.722 20 0 FCADRP O=C(Nc1ccccc1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160538299 1223164088 /nfs/dbraw/zinc/16/40/88/1223164088.db2.gz HSHPJYLFKJQTMW-DNVCBOLYSA-N 2 0 357.458 0.562 20 0 FCADRP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160709651 1223169156 /nfs/dbraw/zinc/16/91/56/1223169156.db2.gz HRMITOHLYKRTHZ-NQIIRXRSSA-N 2 0 354.498 0.987 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])C[C@H]2C1 ZINC001160704895 1223169273 /nfs/dbraw/zinc/16/92/73/1223169273.db2.gz QHRQETCDFHSXSP-DAYGRLMNSA-N 2 0 369.469 0.174 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C)[C@H]3CC[NH2+][C@@H](C)C3)C[C@H]1C2 ZINC001160794525 1223173034 /nfs/dbraw/zinc/17/30/34/1223173034.db2.gz PPQWGJAHHUGPBR-PLOXOUHVSA-N 2 0 363.502 0.868 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc([C@H](N)C[NH3+])cc3)C[C@H]1C2 ZINC001160800238 1223173835 /nfs/dbraw/zinc/17/38/35/1223173835.db2.gz RJLSSABPKPZLDQ-JZBZHOAESA-N 2 0 372.469 0.116 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]([NH3+])Cc3ccncc3)C[C@H]1C[NH2+]CC2 ZINC001160806657 1223174606 /nfs/dbraw/zinc/17/46/06/1223174606.db2.gz WKGUVECBYOZYOY-JTDSTZFVSA-N 2 0 360.458 0.343 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)CN3CC[NH+](C(C)C)CC3)C[C@H]1C[NH2+]CC2 ZINC001160810587 1223174732 /nfs/dbraw/zinc/17/47/32/1223174732.db2.gz CTBQMIZYYOLTMM-VQIMIIECSA-N 2 0 366.506 0.014 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)C[C@H]1C[NH2+]CC2 ZINC001160811385 1223175006 /nfs/dbraw/zinc/17/50/06/1223175006.db2.gz PAHJFXYYGRQKEM-GMKVZWAMSA-N 2 0 365.474 0.002 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3ccc4c(n3)CC[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160819717 1223175790 /nfs/dbraw/zinc/17/57/90/1223175790.db2.gz KWZRSISAJKPLIO-AUUYWEPGSA-N 2 0 358.442 0.342 20 0 FCADRP O=C(c1ccncc1)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160936010 1223180930 /nfs/dbraw/zinc/18/09/30/1223180930.db2.gz FAQQOSDWMFFMNQ-MRXNPFEDSA-N 2 0 357.458 0.240 20 0 FCADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161009521 1223183282 /nfs/dbraw/zinc/18/32/82/1223183282.db2.gz WKKDYRBWRGIAJH-KPFFTGBYSA-N 2 0 370.497 0.428 20 0 FCADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161049291 1223184280 /nfs/dbraw/zinc/18/42/80/1223184280.db2.gz FLIAAERZLPANHO-ULQDDVLXSA-N 3 0 367.538 0.375 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062459 1223184382 /nfs/dbraw/zinc/18/43/82/1223184382.db2.gz KGYCCRJQIJAFNQ-QXSJWSMHSA-N 2 0 368.522 0.848 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC001161198518 1223189389 /nfs/dbraw/zinc/18/93/89/1223189389.db2.gz VPKDXHGPDYPDCU-KSSFIOAISA-N 2 0 374.526 0.650 20 0 FCADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001161245863 1223191792 /nfs/dbraw/zinc/19/17/92/1223191792.db2.gz HFEQKQXJXMILRB-BXWFABGCSA-N 2 0 362.449 0.365 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[C@@](F)(C[NH3+])C3)cc(=O)oc2c1 ZINC001161247202 1223192318 /nfs/dbraw/zinc/19/23/18/1223192318.db2.gz ZHPGNROWWZYXEK-KBXCAEBGSA-N 2 0 363.389 0.571 20 0 FCADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC001161246878 1223192395 /nfs/dbraw/zinc/19/23/95/1223192395.db2.gz RDPXVMBLTDTTGD-JTDSTZFVSA-N 2 0 362.449 0.447 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC2=CCN(CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001161265020 1223193024 /nfs/dbraw/zinc/19/30/24/1223193024.db2.gz RGWYEKAKVKRIMX-MOPGFXCFSA-N 2 0 370.497 0.956 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001161318732 1223195612 /nfs/dbraw/zinc/19/56/12/1223195612.db2.gz YJJBXIFWEWTATG-CJNGLKHVSA-N 2 0 372.444 0.582 20 0 FCADRP CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161339023 1223196578 /nfs/dbraw/zinc/19/65/78/1223196578.db2.gz HUNYYKUAMHQRCI-QAPCUYQASA-N 2 0 371.485 0.754 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378737 1223197062 /nfs/dbraw/zinc/19/70/62/1223197062.db2.gz MIBXFUOXUOZMPF-ROUUACIJSA-N 2 0 374.485 0.471 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377885 1223197165 /nfs/dbraw/zinc/19/71/65/1223197165.db2.gz JCJTUSLMBBRTAA-RDJZCZTQSA-N 2 0 366.506 0.604 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377887 1223197268 /nfs/dbraw/zinc/19/72/68/1223197268.db2.gz JCJTUSLMBBRTAA-WBVHZDCISA-N 2 0 366.506 0.604 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001161379816 1223197935 /nfs/dbraw/zinc/19/79/35/1223197935.db2.gz QRKAZNAHPZWTER-MJGOQNOKSA-N 2 0 360.502 0.979 20 0 FCADRP COc1cc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C2CC[NH2+]CC2)ccn1 ZINC001161385491 1223197975 /nfs/dbraw/zinc/19/79/75/1223197975.db2.gz BJYCQMMAABJQNA-AUUYWEPGSA-N 3 0 359.474 0.374 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380835 1223198096 /nfs/dbraw/zinc/19/80/96/1223198096.db2.gz VYNKJAOKYJRWNC-LPHOPBHVSA-N 2 0 358.486 0.906 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@H]12 ZINC001161414680 1223198507 /nfs/dbraw/zinc/19/85/07/1223198507.db2.gz YNOFXMCKMRTZGR-YDZRNGNQSA-N 2 0 354.498 0.904 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C[C@@H]12 ZINC001161417868 1223198851 /nfs/dbraw/zinc/19/88/51/1223198851.db2.gz YOMLKMHSYBKBDW-MEWXFMAXSA-N 2 0 356.430 0.200 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12)[C@@H]1CCC[NH2+]C1 ZINC001161447728 1223199462 /nfs/dbraw/zinc/19/94/62/1223199462.db2.gz YWVQGWHKIPQPFL-WBVHZDCISA-N 3 0 358.490 0.575 20 0 FCADRP C[NH+](C)CCN(C(=O)c1cccnc1N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161448986 1223199724 /nfs/dbraw/zinc/19/97/24/1223199724.db2.gz IZOUSKUAACVCKU-INIZCTEOSA-N 3 0 360.506 0.247 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H](Oc3ccccc3)C[NH2+]1)CC2 ZINC001161476223 1223201090 /nfs/dbraw/zinc/20/10/90/1223201090.db2.gz BTYIQBZTMAQUKZ-OGNFBWPZSA-N 2 0 373.453 0.550 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001161525345 1223203526 /nfs/dbraw/zinc/20/35/26/1223203526.db2.gz DIQRKIMYMBIAAI-UHFFFAOYSA-N 2 0 352.442 0.694 20 0 FCADRP COC(=O)[C@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC001161563543 1223205081 /nfs/dbraw/zinc/20/50/81/1223205081.db2.gz GEZWCRCQHSFKMX-KSZLIROESA-N 2 0 374.485 0.500 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584606 1223205122 /nfs/dbraw/zinc/20/51/22/1223205122.db2.gz GMVZOCKXJNFPAC-KRWDZBQOSA-N 2 0 356.470 0.600 20 0 FCADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C2 ZINC001161603998 1223205723 /nfs/dbraw/zinc/20/57/23/1223205723.db2.gz KUNCRXRXKKZZDZ-AWEZNQCLSA-N 2 0 365.478 0.935 20 0 FCADRP CC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283343 1223212576 /nfs/dbraw/zinc/21/25/76/1223212576.db2.gz XQXPHTYJWKKAOZ-BZUAXINKSA-N 2 0 368.522 0.435 20 0 FCADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001162283386 1223212612 /nfs/dbraw/zinc/21/26/12/1223212612.db2.gz YXRORJUYGGRVSU-OAGGEKHMSA-N 2 0 366.506 0.060 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001162536995 1223218155 /nfs/dbraw/zinc/21/81/55/1223218155.db2.gz CZCQDQNXVHTTJV-CQSZACIVSA-N 2 0 369.425 0.658 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001162730579 1223218963 /nfs/dbraw/zinc/21/89/63/1223218963.db2.gz OPOILWNFNDRDBY-OAHLLOKOSA-N 2 0 364.494 0.947 20 0 FCADRP c1cc(C[N@@H+]2CCCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)ccn1 ZINC001163827475 1223234224 /nfs/dbraw/zinc/23/42/24/1223234224.db2.gz WWVIGXZEMRFPJG-UHFFFAOYSA-N 2 0 353.474 0.994 20 0 FCADRP COCCOC[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164583136 1223240180 /nfs/dbraw/zinc/24/01/80/1223240180.db2.gz UTDKOEQMFOUOTK-BRWVUGGUSA-N 2 0 371.522 0.227 20 0 FCADRP CN1CCN(c2nccc(N3CC[NH+](CCc4ccncc4)CC3)n2)CC1 ZINC001165060493 1223241266 /nfs/dbraw/zinc/24/12/66/1223241266.db2.gz XIHCEIYQHFTZHC-UHFFFAOYSA-N 2 0 367.501 0.988 20 0 FCADRP c1cn(Cc2noc3c2CN(c2cncc(N4CC[NH2+]CC4)n2)CC3)cn1 ZINC001165548659 1223248594 /nfs/dbraw/zinc/24/85/94/1223248594.db2.gz AYDYNIPYAGVNOU-UHFFFAOYSA-N 2 0 366.429 0.682 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(CO)cc1)CC2 ZINC001203187150 1223292404 /nfs/dbraw/zinc/29/24/04/1223292404.db2.gz KJKPXHKTLMTQGF-UHFFFAOYSA-N 2 0 374.529 0.849 20 0 FCADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001205228957 1223318847 /nfs/dbraw/zinc/31/88/47/1223318847.db2.gz KUNHGUGNNCACBP-LJQANCHMSA-N 3 0 358.490 0.872 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCOCCO)C1 ZINC001205432082 1223323199 /nfs/dbraw/zinc/32/31/99/1223323199.db2.gz BMNCMZNDQHHOHS-ZWKOTPCHSA-N 2 0 367.465 0.670 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205445888 1223323759 /nfs/dbraw/zinc/32/37/59/1223323759.db2.gz PDBSKICOKLSVKB-XOKHGSTOSA-N 2 0 364.465 0.925 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)[C@H]2COC[C@H]21 ZINC001205510849 1223329153 /nfs/dbraw/zinc/32/91/53/1223329153.db2.gz JTYGXDQHTYPLEN-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC2(CC[NH+]([C@@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205519503 1223330208 /nfs/dbraw/zinc/33/02/08/1223330208.db2.gz QUPWBGNNDZLSLI-HRCADAONSA-N 2 0 366.506 0.140 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205678802 1223335073 /nfs/dbraw/zinc/33/50/73/1223335073.db2.gz URRLTRZXPHKFMW-DOTOQJQBSA-N 2 0 364.465 0.927 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686076 1223335147 /nfs/dbraw/zinc/33/51/47/1223335147.db2.gz RDCWTDVIJBCFBQ-DOTOQJQBSA-N 2 0 364.465 0.796 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986557 1223402535 /nfs/dbraw/zinc/40/25/35/1223402535.db2.gz YNEOIZJQWPYVMC-NVXWUHKLSA-N 2 0 367.494 0.158 20 0 FCADRP Cc1cc(C(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)nn1-c1cc[nH+]cc1 ZINC001276525969 1223439757 /nfs/dbraw/zinc/43/97/57/1223439757.db2.gz KPACQKUBFONJSB-UHFFFAOYSA-N 2 0 354.458 0.895 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617033 1223461724 /nfs/dbraw/zinc/46/17/24/1223461724.db2.gz MNXIFJKHXJVGLX-KBAYOESNSA-N 2 0 368.522 0.450 20 0 FCADRP COc1ccc(CN2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC001276542824 1223463170 /nfs/dbraw/zinc/46/31/70/1223463170.db2.gz FRDRZXZQBVCFEX-IBGZPJMESA-N 2 0 362.474 0.703 20 0 FCADRP CC(C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207967292 1223501266 /nfs/dbraw/zinc/50/12/66/1223501266.db2.gz WXDMBOKNHPHKMM-RHSMWYFYSA-N 2 0 370.457 0.842 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001208066108 1223512208 /nfs/dbraw/zinc/51/22/08/1223512208.db2.gz OVCDHFJTWIJDDO-NUJGCVRESA-N 2 0 366.506 0.060 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073196 1223513562 /nfs/dbraw/zinc/51/35/62/1223513562.db2.gz FAOIIYKZZGYUPU-YESZJQIVSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](CCN4CCOCC4)C3)O2)CC1 ZINC001209289293 1223608232 /nfs/dbraw/zinc/60/82/32/1223608232.db2.gz AUJJNXSMEAJDCE-WOJBJXKFSA-N 2 0 366.550 0.580 20 0 FCADRP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001209347257 1223612407 /nfs/dbraw/zinc/61/24/07/1223612407.db2.gz RYZUEXDENDGFEB-ZIAGYGMSSA-N 2 0 362.474 0.248 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209699329 1223642152 /nfs/dbraw/zinc/64/21/52/1223642152.db2.gz ZKTAVDGXJPVMNT-FGTMMUONSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321603 1223682870 /nfs/dbraw/zinc/68/28/70/1223682870.db2.gz GBYDZVURZHADMS-OAGGEKHMSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326497 1223734904 /nfs/dbraw/zinc/73/49/04/1223734904.db2.gz QLEXWTIFJSKVMR-HZPDHXFCSA-N 2 0 364.490 0.448 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369603 1223791221 /nfs/dbraw/zinc/79/12/21/1223791221.db2.gz YEFMEOPZDQJJGV-KZNAEPCWSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753235 1223844369 /nfs/dbraw/zinc/84/43/69/1223844369.db2.gz DKKURNAHAPVEFD-GVDBMIGSSA-N 2 0 368.522 0.450 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929745 1223875300 /nfs/dbraw/zinc/87/53/00/1223875300.db2.gz JJAHNFJHKXGYBD-IPMKNSEASA-N 2 0 363.502 0.746 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC000978160437 1248710485 /nfs/dbraw/zinc/71/04/85/1248710485.db2.gz VGURURVQCTUWDH-NNPSNHGLSA-N 2 0 362.518 0.633 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655906 1223929696 /nfs/dbraw/zinc/92/96/96/1223929696.db2.gz WAJYIJUUCNMYCT-GDBMZVCRSA-N 2 0 364.494 0.021 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214755241 1223939392 /nfs/dbraw/zinc/93/93/92/1223939392.db2.gz XLRPMIVNOBNNMT-HZSPNIEDSA-N 2 0 369.441 0.730 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001214780255 1223941826 /nfs/dbraw/zinc/94/18/26/1223941826.db2.gz RUCAHISYCGMKGG-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889347 1223952169 /nfs/dbraw/zinc/95/21/69/1223952169.db2.gz JKPCPPHZFFWSSL-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214954660 1223958910 /nfs/dbraw/zinc/95/89/10/1223958910.db2.gz DUAVBYAZWTZSOP-HZPDHXFCSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214969755 1223960529 /nfs/dbraw/zinc/96/05/29/1223960529.db2.gz YVVLKMIQJBOTLS-RBSFLKMASA-N 2 0 360.462 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001215014991 1223964089 /nfs/dbraw/zinc/96/40/89/1223964089.db2.gz AGHFJQONZFBALD-DJIMGWMZSA-N 2 0 359.474 0.575 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215185115 1223980738 /nfs/dbraw/zinc/98/07/38/1223980738.db2.gz ZELUTDMVHPDKCN-MJQPBPLVSA-N 2 0 365.518 0.959 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215220166 1223983899 /nfs/dbraw/zinc/98/38/99/1223983899.db2.gz XFVRXLSNGUZEJJ-CRAIPNDOSA-N 2 0 360.502 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001215416579 1223998322 /nfs/dbraw/zinc/99/83/22/1223998322.db2.gz UZSGZRDDVJXQIB-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)no1 ZINC001215453456 1223999791 /nfs/dbraw/zinc/99/97/91/1223999791.db2.gz CJGSZKSMIJJNSD-IUODEOHRSA-N 2 0 363.462 0.700 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453745 1223999964 /nfs/dbraw/zinc/99/99/64/1223999964.db2.gz PTNDLQMOCHAERE-HLLBOEOZSA-N 2 0 368.522 0.306 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001215458754 1224000513 /nfs/dbraw/zinc/00/05/13/1224000513.db2.gz IPODAGBOWQLBDT-SJLPKXTDSA-N 2 0 360.502 0.999 20 0 FCADRP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459050 1224000807 /nfs/dbraw/zinc/00/08/07/1224000807.db2.gz VJABIVMNNWJGCR-SJLPKXTDSA-N 2 0 360.502 0.999 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1)[NH+](C)C ZINC001215476425 1224001350 /nfs/dbraw/zinc/00/13/50/1224001350.db2.gz IMPZMNIODCRESX-QGPMSJSTSA-N 2 0 364.490 0.919 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]CCn1cncn1 ZINC001215557929 1224005958 /nfs/dbraw/zinc/00/59/58/1224005958.db2.gz FBBAVKBJFQWPBG-IEBWSBKVSA-N 2 0 370.501 0.889 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778348 1224017426 /nfs/dbraw/zinc/01/74/26/1224017426.db2.gz HMXYJIZOMCPEJD-BPQIPLTHSA-N 2 0 371.522 0.179 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001215972940 1224027806 /nfs/dbraw/zinc/02/78/06/1224027806.db2.gz FYKDCNJENZAIKM-OWCLPIDISA-N 2 0 366.506 0.740 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215977025 1224028013 /nfs/dbraw/zinc/02/80/13/1224028013.db2.gz BTJURFOAMCTJIC-QLFBSQMISA-N 2 0 369.510 0.518 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001216214240 1224039462 /nfs/dbraw/zinc/03/94/62/1224039462.db2.gz ZBSKIEILQISFGL-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216326770 1224044644 /nfs/dbraw/zinc/04/46/44/1224044644.db2.gz JJHZTYOUIRRMLK-RDTXWAMCSA-N 2 0 362.518 0.824 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216514582 1224053573 /nfs/dbraw/zinc/05/35/73/1224053573.db2.gz JSYFDPXJUQHKLU-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216753999 1224068487 /nfs/dbraw/zinc/06/84/87/1224068487.db2.gz CXFUMCROTURMKQ-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)on1 ZINC001216756172 1224068766 /nfs/dbraw/zinc/06/87/66/1224068766.db2.gz VPDXRBXEWYGJQO-BPLDGKMQSA-N 2 0 363.462 0.842 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001216830296 1224076023 /nfs/dbraw/zinc/07/60/23/1224076023.db2.gz OFRFIXGJXSIGLT-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834008 1224076683 /nfs/dbraw/zinc/07/66/83/1224076683.db2.gz FXFXLROHXNMISM-KZNAEPCWSA-N 2 0 371.522 0.323 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835933 1224077258 /nfs/dbraw/zinc/07/72/58/1224077258.db2.gz ODTYYQYMUSXZOT-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216853930 1224079327 /nfs/dbraw/zinc/07/93/27/1224079327.db2.gz OUXCNXARPOGFDC-JFIYKMOQSA-N 2 0 367.490 0.934 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216852098 1224079334 /nfs/dbraw/zinc/07/93/34/1224079334.db2.gz OVJCAAARNJCYOQ-HUUCEWRRSA-N 2 0 365.526 0.747 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216964518 1224082397 /nfs/dbraw/zinc/08/23/97/1224082397.db2.gz CRGKXDAFJQZCTA-QLFBSQMISA-N 2 0 367.494 0.272 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCCNC4=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282719 1248776758 /nfs/dbraw/zinc/77/67/58/1248776758.db2.gz GOHHYVLTKSBULR-BIQFIRCYSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000985440771 1248922208 /nfs/dbraw/zinc/92/22/08/1248922208.db2.gz QDPQFDHPBYLECQ-ARFHVFGLSA-N 2 0 364.490 0.445 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000985440774 1248923221 /nfs/dbraw/zinc/92/32/21/1248923221.db2.gz QDPQFDHPBYLECQ-XHSDSOJGSA-N 2 0 364.490 0.445 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000988094749 1249338671 /nfs/dbraw/zinc/33/86/71/1249338671.db2.gz MEPYUNNIJWAJQC-SOLBZPMBSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994033460 1250159551 /nfs/dbraw/zinc/15/95/51/1250159551.db2.gz PXHPWASDRCLNLE-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000849112779 1245392925 /nfs/dbraw/zinc/39/29/25/1245392925.db2.gz CDSVCWNGMDQJSO-OAHLLOKOSA-N 2 0 369.510 0.910 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111650 1245392995 /nfs/dbraw/zinc/39/29/95/1245392995.db2.gz YPWDUHUQGAICOX-HNNXBMFYSA-N 2 0 370.542 0.899 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563257 1245455643 /nfs/dbraw/zinc/45/56/43/1245455643.db2.gz BRVQHQXSJBSKHL-SJORKVTESA-N 2 0 367.538 0.470 20 0 FCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504354 1245501817 /nfs/dbraw/zinc/50/18/17/1245501817.db2.gz KDGQWSRLVDQKDT-UHFFFAOYSA-N 2 0 359.474 0.754 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000911504855 1245501925 /nfs/dbraw/zinc/50/19/25/1245501925.db2.gz NXZSFLIVNPTVOU-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000917085094 1245548325 /nfs/dbraw/zinc/54/83/25/1245548325.db2.gz XBDWSIFVCPTJOW-CALCHBBNSA-N 2 0 357.502 0.918 20 0 FCADRP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280661 1245703523 /nfs/dbraw/zinc/70/35/23/1245703523.db2.gz CEDTVCWKJCSNCP-MSOLQXFVSA-N 2 0 361.486 0.879 20 0 FCADRP Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923321279 1245707130 /nfs/dbraw/zinc/70/71/30/1245707130.db2.gz DZZSZVFHMOBHRG-CQSZACIVSA-N 2 0 357.462 0.172 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000923321514 1245709872 /nfs/dbraw/zinc/70/98/72/1245709872.db2.gz GPZAMPSBWJEWKM-ZWKOTPCHSA-N 2 0 366.506 0.792 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000938040608 1245814898 /nfs/dbraw/zinc/81/48/98/1245814898.db2.gz RKUPTZUHUDZFAN-QLFBSQMISA-N 2 0 359.474 0.819 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000940765512 1246380096 /nfs/dbraw/zinc/38/00/96/1246380096.db2.gz TZPOVNVYUVUDNB-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552817 1247128695 /nfs/dbraw/zinc/12/86/95/1247128695.db2.gz NHTZVBINJPOQTC-USXIJHARSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000942596033 1247153197 /nfs/dbraw/zinc/15/31/97/1247153197.db2.gz PZRZSOYCBFCUIF-IXDOHACOSA-N 2 0 366.506 0.155 20 0 FCADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000942876549 1247208960 /nfs/dbraw/zinc/20/89/60/1247208960.db2.gz KBEHYUAXDGJTEY-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000943466408 1247331281 /nfs/dbraw/zinc/33/12/81/1247331281.db2.gz UPTJEBQAOUENJM-HZPDHXFCSA-N 2 0 364.490 0.053 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943797608 1247416446 /nfs/dbraw/zinc/41/64/46/1247416446.db2.gz VXDUZKUKIZBJEU-USXIJHARSA-N 2 0 371.441 0.242 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595010 1247907469 /nfs/dbraw/zinc/90/74/69/1247907469.db2.gz DSSNJAQBBKWKBB-MDMSPXHWSA-N 2 0 364.534 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597807 1247910902 /nfs/dbraw/zinc/91/09/02/1247910902.db2.gz LFUPANYLVRHJSU-XWTMOSNGSA-N 2 0 364.534 0.975 20 0 FCADRP [NH3+]CCN(CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC001327931689 1265457246 /nfs/dbraw/zinc/45/72/46/1265457246.db2.gz AWOMASHRJZVXPA-IBGZPJMESA-N 2 0 360.502 0.817 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC000976611025 1248291928 /nfs/dbraw/zinc/29/19/28/1248291928.db2.gz SJRQKOXIXMCMBD-DWMDIXPDSA-N 2 0 364.534 0.876 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000976872456 1248437661 /nfs/dbraw/zinc/43/76/61/1248437661.db2.gz ZLQXTERDZOHBAW-FIDHJVLJSA-N 2 0 360.502 0.386 20 0 FCADRP Cn1cncc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000976921656 1248468925 /nfs/dbraw/zinc/46/89/25/1248468925.db2.gz MXTJVYXDMRUAGB-ZACQAIPSSA-N 2 0 361.490 0.991 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994334437 1250384040 /nfs/dbraw/zinc/38/40/40/1250384040.db2.gz CVCRRYGPUSKALT-NVXWUHKLSA-N 2 0 362.518 0.635 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001328180996 1265497888 /nfs/dbraw/zinc/49/78/88/1265497888.db2.gz DASARPZSVOSODJ-AWEZNQCLSA-N 2 0 362.478 0.433 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825467 1250994381 /nfs/dbraw/zinc/99/43/81/1250994381.db2.gz NELBEZZFRDOITB-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000996721906 1251424815 /nfs/dbraw/zinc/42/48/15/1251424815.db2.gz VZLUNLRQBKHQMX-OWSLCNJRSA-N 2 0 360.502 0.672 20 0 FCADRP CC(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001517146074 1265587241 /nfs/dbraw/zinc/58/72/41/1265587241.db2.gz KIFDULPJDBDRFQ-AWEZNQCLSA-N 2 0 350.467 0.950 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC000997793062 1251709546 /nfs/dbraw/zinc/70/95/46/1251709546.db2.gz LBEIKHIFGORCKZ-DJIMGWMZSA-N 2 0 360.506 0.934 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997869753 1251730431 /nfs/dbraw/zinc/73/04/31/1251730431.db2.gz AFSYYBHHWKPLJD-BGTYHANMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)CC[N@@H+]1C ZINC000997884025 1251733916 /nfs/dbraw/zinc/73/39/16/1251733916.db2.gz AIDQEUNRTITLFL-XABWRGDLSA-N 2 0 362.518 0.917 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001328732717 1265604236 /nfs/dbraw/zinc/60/42/36/1265604236.db2.gz MBDUBTNJYZELLN-SJLPKXTDSA-N 2 0 360.502 0.987 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]12CC[N@H+](C1)CCC2)C12CC[NH+](CC1)C2 ZINC000998660695 1251945502 /nfs/dbraw/zinc/94/55/02/1251945502.db2.gz WWNTZDVMLSCAOS-JJDSTIRJSA-N 2 0 372.513 0.816 20 0 FCADRP O=C(CCn1ccnc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998661124 1251945747 /nfs/dbraw/zinc/94/57/47/1251945747.db2.gz ZOXOCQNRARWLLS-PMPSAXMXSA-N 2 0 357.458 0.617 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC000998794716 1251968915 /nfs/dbraw/zinc/96/89/15/1251968915.db2.gz FTYMFNMFFWNODI-XSCHDIRWSA-N 2 0 362.478 0.228 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)cn1 ZINC001328800328 1265616876 /nfs/dbraw/zinc/61/68/76/1265616876.db2.gz WWRMXNXGUFQJGO-UHFFFAOYSA-N 2 0 356.430 0.303 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999209208 1252070331 /nfs/dbraw/zinc/07/03/31/1252070331.db2.gz OXJLSZXUXCTRFT-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001002240043 1252484306 /nfs/dbraw/zinc/48/43/06/1252484306.db2.gz VOEQDRSFCLDRTP-RHSMWYFYSA-N 2 0 366.506 0.012 20 0 FCADRP Cn1cncc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004393239 1253312484 /nfs/dbraw/zinc/31/24/84/1253312484.db2.gz XYUQSDXBDHGTLD-BMFZPTHFSA-N 2 0 357.458 0.307 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647476 1265799184 /nfs/dbraw/zinc/79/91/84/1265799184.db2.gz OSARLSVRFMOPMG-CJNGLKHVSA-N 2 0 372.469 0.798 20 0 FCADRP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001519902862 1265795165 /nfs/dbraw/zinc/79/51/65/1265795165.db2.gz VJUQWUVTCSXBQA-RDJZCZTQSA-N 2 0 355.527 0.373 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001061622122 1254195083 /nfs/dbraw/zinc/19/50/83/1254195083.db2.gz MBZWGHDYFQNGAL-YESZJQIVSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031429 1265830971 /nfs/dbraw/zinc/83/09/71/1265830971.db2.gz PJEOXESATSALSQ-AEFFLSMTSA-N 2 0 350.507 0.336 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065206580 1254488884 /nfs/dbraw/zinc/48/88/84/1254488884.db2.gz MASXEUWAYKNLAC-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207982 1254490455 /nfs/dbraw/zinc/49/04/55/1254490455.db2.gz YFSBKMBPCLOPQG-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CCO2)CC[N@@H+]1C ZINC001065537325 1254546327 /nfs/dbraw/zinc/54/63/27/1254546327.db2.gz NITKOVKZTYAIEX-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680366 1254866256 /nfs/dbraw/zinc/86/62/56/1254866256.db2.gz CDJFRUZAYHDSMD-ATZDWAIDSA-N 2 0 361.486 0.741 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001330082596 1265938207 /nfs/dbraw/zinc/93/82/07/1265938207.db2.gz QINGZSWYEKQPGB-UHFFFAOYSA-N 2 0 358.442 0.409 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077838531 1255039126 /nfs/dbraw/zinc/03/91/26/1255039126.db2.gz AOEKSHRYTNDPLH-BHIYHBOVSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)c1 ZINC001078224567 1255336123 /nfs/dbraw/zinc/33/61/23/1255336123.db2.gz OHOWREUGESYNEL-ATZDWAIDSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001078230637 1255344398 /nfs/dbraw/zinc/34/43/98/1255344398.db2.gz KRZCWSJNLANLFL-ATZDWAIDSA-N 2 0 361.486 0.950 20 0 FCADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405492 1255408776 /nfs/dbraw/zinc/40/87/76/1255408776.db2.gz OXKIDTAXSRQVIF-HYVNUMGLSA-N 2 0 364.494 0.345 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710235 1255581957 /nfs/dbraw/zinc/58/19/57/1255581957.db2.gz ANMUQSDGMZWKNE-JEBQAFNWSA-N 2 0 360.506 0.673 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079849785 1255632319 /nfs/dbraw/zinc/63/23/19/1255632319.db2.gz ZDTPUFLBTUDDJH-BRWVUGGUSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037435 1255720220 /nfs/dbraw/zinc/72/02/20/1255720220.db2.gz KXUQSOFWFVGUQX-BZUAXINKSA-N 2 0 358.490 0.830 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080051221 1255725363 /nfs/dbraw/zinc/72/53/63/1255725363.db2.gz PGEUGPWOEAIXBG-FHLIZLRMSA-N 2 0 368.441 0.642 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161360 1255766611 /nfs/dbraw/zinc/76/66/11/1255766611.db2.gz YNCVZBRFVXAKAZ-LVPSCPSHSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255440 1255809678 /nfs/dbraw/zinc/80/96/78/1255809678.db2.gz YEUIWRBUVIMGPX-BRWVUGGUSA-N 2 0 363.506 0.555 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080878053 1256071430 /nfs/dbraw/zinc/07/14/30/1256071430.db2.gz XXLQTSSGHFAWRN-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080903731 1256082874 /nfs/dbraw/zinc/08/28/74/1256082874.db2.gz DMOJQKLXLKNUGU-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP Cn1cncc1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081219461 1256210336 /nfs/dbraw/zinc/21/03/36/1256210336.db2.gz CWGUYDFRGXCQRA-DLBZAZTESA-N 2 0 355.442 0.422 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081227023 1256210977 /nfs/dbraw/zinc/21/09/77/1256210977.db2.gz MHNBKYNWBSJHJM-RCCFBDPRSA-N 2 0 356.470 0.555 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670410 1256328341 /nfs/dbraw/zinc/32/83/41/1256328341.db2.gz RHQUNLZKITZGHJ-KZNAEPCWSA-N 2 0 361.490 0.120 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694329 1256335970 /nfs/dbraw/zinc/33/59/70/1256335970.db2.gz XFDZBGNPPJAUFN-UTRMSSBJSA-N 2 0 361.486 0.835 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001082159911 1256568734 /nfs/dbraw/zinc/56/87/34/1256568734.db2.gz SEYUCCXSGFEFEB-FCGDIQPGSA-N 2 0 361.486 0.530 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)cc1=O ZINC001082520108 1256803179 /nfs/dbraw/zinc/80/31/79/1256803179.db2.gz AQGJZVCTZLHVKI-RRCSTGOVSA-N 2 0 363.458 0.925 20 0 FCADRP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)n1 ZINC001082617221 1256927474 /nfs/dbraw/zinc/92/74/74/1256927474.db2.gz CGGQCVHGRGVATB-RHSMWYFYSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082619851 1256929960 /nfs/dbraw/zinc/92/99/60/1256929960.db2.gz DYGSIEPNGAEOJV-CZUORRHYSA-N 2 0 356.430 0.410 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653538 1256956802 /nfs/dbraw/zinc/95/68/02/1256956802.db2.gz PTHHZMJCKDCCIN-MTYXXWPBSA-N 2 0 371.485 0.585 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653354 1256957646 /nfs/dbraw/zinc/95/76/46/1256957646.db2.gz GWGIFPNBZLUUSL-YSISEGQHSA-N 2 0 360.458 0.783 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653511 1256957758 /nfs/dbraw/zinc/95/77/58/1256957758.db2.gz ONZHDHRDHSOOMU-MTYXXWPBSA-N 2 0 371.485 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082743097 1257022431 /nfs/dbraw/zinc/02/24/31/1257022431.db2.gz HOGSGEUYBFKUSU-RKVPGOIHSA-N 2 0 366.485 0.927 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+]1CCCCCC1 ZINC001082783015 1257047788 /nfs/dbraw/zinc/04/77/88/1257047788.db2.gz WKXHYWBZTSXMIX-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082851809 1257104060 /nfs/dbraw/zinc/10/40/60/1257104060.db2.gz DIIZXQOMHPRARR-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861510 1257112736 /nfs/dbraw/zinc/11/27/36/1257112736.db2.gz DKMGGNVWPUBADC-IIAWOOMASA-N 2 0 363.458 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001082863469 1257113831 /nfs/dbraw/zinc/11/38/31/1257113831.db2.gz DPDWUOBSLCGKKJ-BZUAXINKSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082863032 1257113896 /nfs/dbraw/zinc/11/38/96/1257113896.db2.gz GPRNOUDFUJNNPI-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082920166 1257145343 /nfs/dbraw/zinc/14/53/43/1257145343.db2.gz SYKZZUQLHHTSBS-FRFSOERESA-N 2 0 356.474 0.857 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)nn1C ZINC001082923313 1257146939 /nfs/dbraw/zinc/14/69/39/1257146939.db2.gz DADOERFDAHPSMH-IIDMSEBBSA-N 2 0 363.506 0.633 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083144381 1257400002 /nfs/dbraw/zinc/40/00/02/1257400002.db2.gz DNEDOTSMGOYENQ-FHLIZLRMSA-N 2 0 356.426 0.896 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001083148702 1257403608 /nfs/dbraw/zinc/40/36/08/1257403608.db2.gz BAGFBOGFYSMAFF-VVJOJPPRSA-N 2 0 361.486 0.561 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833581 1257587269 /nfs/dbraw/zinc/58/72/69/1257587269.db2.gz JZIPTJFWXWBFSV-MSOLQXFVSA-N 2 0 363.506 0.339 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083864164 1257626747 /nfs/dbraw/zinc/62/67/47/1257626747.db2.gz AOEKSHRYTNDPLH-QRQLOZEOSA-N 2 0 361.486 0.950 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936929 1257721550 /nfs/dbraw/zinc/72/15/50/1257721550.db2.gz CMGQISWMDVFRRI-QRVBRYPASA-N 2 0 365.518 0.839 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937299 1257722846 /nfs/dbraw/zinc/72/28/46/1257722846.db2.gz WNCNXVHGDFHQFR-MOPGFXCFSA-N 2 0 365.518 0.839 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958616 1257747992 /nfs/dbraw/zinc/74/79/92/1257747992.db2.gz OACIYEADAFGATO-MSOLQXFVSA-N 2 0 366.465 0.992 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054079 1257864489 /nfs/dbraw/zinc/86/44/89/1257864489.db2.gz VSXABJUPTAJLRY-IPELMVKDSA-N 2 0 359.470 0.372 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331103242 1266147965 /nfs/dbraw/zinc/14/79/65/1266147965.db2.gz FVCKFSZVAUDKFV-QRVBRYPASA-N 2 0 370.497 0.978 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)c1 ZINC001331115426 1266150295 /nfs/dbraw/zinc/15/02/95/1266150295.db2.gz XDPOKDXBOPALFV-HFTRVMKXSA-N 2 0 374.485 0.896 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC001331133413 1266154509 /nfs/dbraw/zinc/15/45/09/1266154509.db2.gz VOMZUDBNLLEQAQ-QGZVFWFLSA-N 2 0 358.486 0.808 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084422416 1258103988 /nfs/dbraw/zinc/10/39/88/1258103988.db2.gz XYHWOQLZLHSFAR-IXDOHACOSA-N 2 0 363.506 0.419 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185083 1266165035 /nfs/dbraw/zinc/16/50/35/1266165035.db2.gz OCVRVXCAJOYDJS-KSZLIROESA-N 2 0 373.501 0.748 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001331197302 1266168883 /nfs/dbraw/zinc/16/88/83/1266168883.db2.gz PLRQVAVGFJXYJO-CYGHRXIMSA-N 2 0 358.486 0.961 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001084745419 1258285086 /nfs/dbraw/zinc/28/50/86/1258285086.db2.gz YQUJUSUBOLXIRC-SJLPKXTDSA-N 2 0 361.490 0.527 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21)C1CC1 ZINC001084958204 1258469096 /nfs/dbraw/zinc/46/90/96/1258469096.db2.gz QGTADBIDZBQZPQ-LJHODMEESA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1)C1CC1 ZINC001084957904 1258469372 /nfs/dbraw/zinc/46/93/72/1258469372.db2.gz CXMOAAGLFFLZHR-AYBZRNKSSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1)C1CC1 ZINC001084957905 1258469816 /nfs/dbraw/zinc/46/98/16/1258469816.db2.gz CXMOAAGLFFLZHR-HHXXYDBFSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074897 1258569963 /nfs/dbraw/zinc/56/99/63/1258569963.db2.gz HSRLILXBWBUGHU-ZACQAIPSSA-N 2 0 363.506 0.276 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)cc1=O ZINC001085093656 1258588054 /nfs/dbraw/zinc/58/80/54/1258588054.db2.gz RJPHEYBLHVQANN-MSOLQXFVSA-N 2 0 358.486 0.904 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199894 1258722203 /nfs/dbraw/zinc/72/22/03/1258722203.db2.gz HEFZMDNHNVKVBY-SQNIBIBYSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088749076 1258757926 /nfs/dbraw/zinc/75/79/26/1258757926.db2.gz NCMBHLHAPMOAIB-OLMNPRSZSA-N 2 0 368.441 0.785 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001331454119 1266218778 /nfs/dbraw/zinc/21/87/78/1266218778.db2.gz RVYJJSFQSQEOBW-MJGOQNOKSA-N 2 0 365.522 0.178 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782706 1258843979 /nfs/dbraw/zinc/84/39/79/1258843979.db2.gz WNTPPMNPSXJTGZ-FRFSOERESA-N 2 0 355.442 0.911 20 0 FCADRP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC001331425834 1266214629 /nfs/dbraw/zinc/21/46/29/1266214629.db2.gz LDBLJVNJVBTYMZ-IBGZPJMESA-N 2 0 372.513 0.396 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817202 1258854396 /nfs/dbraw/zinc/85/43/96/1258854396.db2.gz OSSPHNUKLFSBGW-CPUCHLNUSA-N 2 0 370.457 0.829 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105662636 1258922963 /nfs/dbraw/zinc/92/29/63/1258922963.db2.gz POOHHOXYAPHJAD-RGCFKVTRSA-N 2 0 368.522 0.040 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623411 1258929423 /nfs/dbraw/zinc/92/94/23/1258929423.db2.gz RSAZPMAIEZZCDV-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001106626926 1258931044 /nfs/dbraw/zinc/93/10/44/1258931044.db2.gz ODWLPVAWQJBWKY-HZPDHXFCSA-N 2 0 371.489 0.798 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1)[NH+](CC)CC ZINC001106660271 1258934640 /nfs/dbraw/zinc/93/46/40/1258934640.db2.gz ICRMQFCPPLBUIN-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106662898 1258936043 /nfs/dbraw/zinc/93/60/43/1258936043.db2.gz JAZXPTUPIOMGNC-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)C1 ZINC001106666341 1258936909 /nfs/dbraw/zinc/93/69/09/1258936909.db2.gz KZHJBTPWEZHKMZ-LZLYRXPVSA-N 2 0 364.534 0.881 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106665740 1258937374 /nfs/dbraw/zinc/93/73/74/1258937374.db2.gz AEKKGLFMDMAMKV-GVDBMIGSSA-N 2 0 368.522 0.165 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106784116 1258962725 /nfs/dbraw/zinc/96/27/25/1258962725.db2.gz BOLHOFXLFFVOIZ-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860293 1258980716 /nfs/dbraw/zinc/98/07/16/1258980716.db2.gz RUGATAWPVRWVCV-IIDMSEBBSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001106878590 1258986653 /nfs/dbraw/zinc/98/66/53/1258986653.db2.gz SWYROTRAEZYOFZ-UKRRQHHQSA-N 2 0 365.478 0.709 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC001106881103 1258986770 /nfs/dbraw/zinc/98/67/70/1258986770.db2.gz VVHCGXJFEUWDQF-BHIYHBOVSA-N 2 0 363.502 0.982 20 0 FCADRP CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881762 1258987493 /nfs/dbraw/zinc/98/74/93/1258987493.db2.gz JKMFFIODUKYDDH-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882624 1258987810 /nfs/dbraw/zinc/98/78/10/1258987810.db2.gz YFRRZQZTFQMKFX-BRWVUGGUSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106885205 1258988272 /nfs/dbraw/zinc/98/82/72/1258988272.db2.gz WZWIYBOSYMDZGN-ZACQAIPSSA-N 2 0 361.490 0.024 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885216 1258988406 /nfs/dbraw/zinc/98/84/06/1258988406.db2.gz XOSNPLQWYFOCOE-KZNAEPCWSA-N 2 0 367.534 0.800 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905326 1258992850 /nfs/dbraw/zinc/99/28/50/1258992850.db2.gz KKUFYBBVHUEBHJ-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106983877 1259010310 /nfs/dbraw/zinc/01/03/10/1259010310.db2.gz NTUQPSXSOUTCGW-HZPDHXFCSA-N 2 0 362.474 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001106983996 1259010991 /nfs/dbraw/zinc/01/09/91/1259010991.db2.gz SKVJRSBSGJYUCM-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106985995 1259011891 /nfs/dbraw/zinc/01/18/91/1259011891.db2.gz CBZFZQDCOHLDIY-IXDOHACOSA-N 2 0 368.522 0.117 20 0 FCADRP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2)C1CC1 ZINC001107439166 1259087559 /nfs/dbraw/zinc/08/75/59/1259087559.db2.gz TXZDYJMXEHMYFO-YVWKXTFCSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2)C1CCC1 ZINC001107438819 1259087676 /nfs/dbraw/zinc/08/76/76/1259087676.db2.gz JILKSURNCWFDGL-RDTXWAMCSA-N 2 0 365.478 0.026 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)Cn1cccn1)CC2 ZINC001107534315 1259110795 /nfs/dbraw/zinc/11/07/95/1259110795.db2.gz RUODHHCWCVLLHY-YQVWRLOYSA-N 2 0 363.506 0.557 20 0 FCADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cccn1)CC2 ZINC001107609120 1259131863 /nfs/dbraw/zinc/13/18/63/1259131863.db2.gz DBYXGONDHAMNCF-IEBWSBKVSA-N 2 0 363.506 0.822 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)cn1 ZINC001112543577 1259165431 /nfs/dbraw/zinc/16/54/31/1259165431.db2.gz JDKYCYUEMXKCBT-HKUYNNGSSA-N 2 0 363.506 0.659 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC001118059706 1259170473 /nfs/dbraw/zinc/17/04/73/1259170473.db2.gz SIVUACNXTGNCKJ-SFHVURJKSA-N 2 0 358.486 0.837 20 0 FCADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571658 1259181261 /nfs/dbraw/zinc/18/12/61/1259181261.db2.gz WIHZJUZMZPKGAW-AEFFLSMTSA-N 2 0 368.522 0.355 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276674 1259363342 /nfs/dbraw/zinc/36/33/42/1259363342.db2.gz RKBIBHGQZQESFI-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276589 1259363844 /nfs/dbraw/zinc/36/38/44/1259363844.db2.gz MTENNYVGEYZVIE-OAGGEKHMSA-N 2 0 366.510 0.632 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276641 1259364232 /nfs/dbraw/zinc/36/42/32/1259364232.db2.gz PMPBPKYTQVPYQO-IKGGRYGDSA-N 2 0 366.510 0.775 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001200536722 1259416618 /nfs/dbraw/zinc/41/66/18/1259416618.db2.gz GCBRJQIVZXJDMN-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200644097 1259418746 /nfs/dbraw/zinc/41/87/46/1259418746.db2.gz JHKOMABWCVRUOR-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430358 1259502815 /nfs/dbraw/zinc/50/28/15/1259502815.db2.gz KOZLKILRZLFOFL-RCCFBDPRSA-N 2 0 363.506 0.652 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459985 1259514475 /nfs/dbraw/zinc/51/44/75/1259514475.db2.gz CBKCMQUWWBFKGQ-GVDBMIGSSA-N 2 0 369.506 0.197 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212483547 1259519404 /nfs/dbraw/zinc/51/94/04/1259519404.db2.gz MDTAXPYQZBROIM-GVDBMIGSSA-N 2 0 371.522 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215536854 1259534345 /nfs/dbraw/zinc/53/43/45/1259534345.db2.gz WZMHBKJTVMRQRL-RBSFLKMASA-N 2 0 360.462 0.336 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC001216230063 1259537227 /nfs/dbraw/zinc/53/72/27/1259537227.db2.gz WUWLXHPBGNJSOZ-IUODEOHRSA-N 2 0 364.494 0.743 20 0 FCADRP O=C1CCC[C@@]2(C[NH2+]CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)C2)N1 ZINC001235177924 1259567306 /nfs/dbraw/zinc/56/73/06/1259567306.db2.gz SRVAYYRIEWXLOS-NRFANRHFSA-N 2 0 371.529 0.536 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235331003 1259570316 /nfs/dbraw/zinc/57/03/16/1259570316.db2.gz SMGSTXXMCOCCPE-YESZJQIVSA-N 2 0 359.474 0.217 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001331706488 1266269348 /nfs/dbraw/zinc/26/93/48/1266269348.db2.gz KPQVURGZPYWVHB-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP Cc1ncn(C)c1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001235540569 1259575896 /nfs/dbraw/zinc/57/58/96/1259575896.db2.gz BFUZWIUVFVOBJH-UHFFFAOYSA-N 2 0 362.522 0.399 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)c1 ZINC001235699964 1259581908 /nfs/dbraw/zinc/58/19/08/1259581908.db2.gz VQTCFNSKTVZINK-UHFFFAOYSA-N 3 0 357.546 0.961 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001235775150 1259582850 /nfs/dbraw/zinc/58/28/50/1259582850.db2.gz RIGRZYCYAKNEPQ-CVEARBPZSA-N 2 0 372.473 0.519 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]1C2 ZINC001236026848 1259586970 /nfs/dbraw/zinc/58/69/70/1259586970.db2.gz KWXDENDDNNJCJX-OLMMMNRUSA-N 2 0 368.441 0.697 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(Oc2ncccn2)cc1 ZINC001236306929 1259589205 /nfs/dbraw/zinc/58/92/05/1259589205.db2.gz AWFJIXDSWYLAGL-UHFFFAOYSA-N 2 0 372.473 0.885 20 0 FCADRP c1cc2n(c1C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CC[NH2+]C2 ZINC001236401975 1259591272 /nfs/dbraw/zinc/59/12/72/1259591272.db2.gz ZUYVZBURXOUNRS-UHFFFAOYSA-N 3 0 361.534 0.725 20 0 FCADRP O=C(CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCCCC1 ZINC001335336429 1259612630 /nfs/dbraw/zinc/61/26/30/1259612630.db2.gz FCJXFKQINPPUIK-CALCHBBNSA-N 2 0 363.506 0.609 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)Nc1ccc(OC(F)F)cc1 ZINC001239298942 1259624346 /nfs/dbraw/zinc/62/43/46/1259624346.db2.gz IEKRVDUIWGLLSN-UHFFFAOYSA-N 2 0 373.404 0.936 20 0 FCADRP c1cc(N2CC[NH2+]CC2)ncc1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001240487154 1259628777 /nfs/dbraw/zinc/62/87/77/1259628777.db2.gz SGOJMBCZCPSRGL-UHFFFAOYSA-N 2 0 367.457 0.388 20 0 FCADRP c1c([C@@H]2C[NH2+]CCO2)nc2cccc(-c3cnc(N4CC[NH2+]CC4)nc3)n12 ZINC001241899930 1259632412 /nfs/dbraw/zinc/63/24/12/1259632412.db2.gz IUTUTVNKNPISTM-KRWDZBQOSA-N 2 0 365.441 0.862 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3cc4c(nn3)CC[NH2+]C4)cc2)CC1 ZINC001242096980 1259633207 /nfs/dbraw/zinc/63/32/07/1259633207.db2.gz KLLWAMHAEXOFBT-UHFFFAOYSA-N 2 0 352.442 0.682 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3cc(C4C[NH2+]C4)ncn3)cc2)CC1 ZINC001242097662 1259633226 /nfs/dbraw/zinc/63/32/26/1259633226.db2.gz XSDPDQYDHDIHHD-UHFFFAOYSA-N 2 0 352.442 0.723 20 0 FCADRP O=C(c1cccc(NC[C@@H](O)CC2(O)CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC001245968206 1259641604 /nfs/dbraw/zinc/64/16/04/1259641604.db2.gz BVWAKZQUCRTZIG-KRWDZBQOSA-N 2 0 362.474 0.009 20 0 FCADRP COC(=O)c1ccc([C@H]([NH3+])CNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246019359 1259642950 /nfs/dbraw/zinc/64/29/50/1259642950.db2.gz KFNYVVAETIXNSK-IPMKNSEASA-N 2 0 357.454 0.994 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)COc1ccc(CCOC)cc1 ZINC001246022285 1259644084 /nfs/dbraw/zinc/64/40/84/1259644084.db2.gz XBBQYBGWNHYORD-AEFFLSMTSA-N 2 0 367.490 0.448 20 0 FCADRP CCOC(=O)C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246006516 1259644263 /nfs/dbraw/zinc/64/42/63/1259644263.db2.gz WUVMSVFFFLOVSV-GBESFXJTSA-N 3 0 363.502 0.828 20 0 FCADRP O[C@@H](C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246044260 1259646526 /nfs/dbraw/zinc/64/65/26/1259646526.db2.gz FSKGDYRMKMLKSL-GOSISDBHSA-N 3 0 359.514 0.989 20 0 FCADRP c1ccc(-c2nnn3c2CO[C@H](C[NH2+][C@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246157576 1259649703 /nfs/dbraw/zinc/64/97/03/1259649703.db2.gz PVIPNAXGGMZCGL-JKSUJKDBSA-N 2 0 354.458 0.528 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CN[C@H](C(=O)OC)C3)cc2)CC1 ZINC001246237978 1259651488 /nfs/dbraw/zinc/65/14/88/1259651488.db2.gz USNMPMNSZPXZNI-OALUTQOASA-N 2 0 360.502 0.817 20 0 FCADRP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564948 1259655149 /nfs/dbraw/zinc/65/51/49/1259655149.db2.gz GVUNMFREISFZKF-WCXIOVBPSA-N 2 0 361.442 0.227 20 0 FCADRP COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246580737 1259656925 /nfs/dbraw/zinc/65/69/25/1259656925.db2.gz OGWVKUMTICDRSA-ZMSDIMECSA-N 2 0 363.458 0.446 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CN1 ZINC001246609373 1259657947 /nfs/dbraw/zinc/65/79/47/1259657947.db2.gz MZHPTNWAICAFQP-FPXQBCRKSA-N 2 0 367.490 0.535 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429971 1259661247 /nfs/dbraw/zinc/66/12/47/1259661247.db2.gz IUSBSWUNOIZGLF-CVEARBPZSA-N 2 0 353.511 0.080 20 0 FCADRP c1ccc(OCc2nnc3n2CC[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)nc1 ZINC001246696049 1259661129 /nfs/dbraw/zinc/66/11/29/1259661129.db2.gz PGEHAJSTEXTKLJ-HNNXBMFYSA-N 2 0 369.473 0.204 20 0 FCADRP O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12 ZINC001246694236 1259662723 /nfs/dbraw/zinc/66/27/23/1259662723.db2.gz MZMFUHADWQCJEE-FAJBIJEISA-N 2 0 362.518 0.476 20 0 FCADRP Cc1cccc(CO[C@@H]2C[C@@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)n1 ZINC001246709226 1259666142 /nfs/dbraw/zinc/66/61/42/1259666142.db2.gz QWQWXXLMCJTQPG-XUVXKRRUSA-N 2 0 371.529 0.759 20 0 FCADRP C[C@@H]1CC[C@@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C[NH2+]1 ZINC001246712655 1259666242 /nfs/dbraw/zinc/66/62/42/1259666242.db2.gz XOTNVRTWFWDKOR-JFIYKMOQSA-N 2 0 362.522 0.967 20 0 FCADRP c1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1cccnc1)C2 ZINC001246718642 1259668806 /nfs/dbraw/zinc/66/88/06/1259668806.db2.gz JMYZSSQYMHOHGD-DLBZAZTESA-N 2 0 368.485 0.883 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461515 1259671366 /nfs/dbraw/zinc/67/13/66/1259671366.db2.gz WKKCPGDGFOOKFI-ARFHVFGLSA-N 2 0 352.479 0.308 20 0 FCADRP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246727161 1259671580 /nfs/dbraw/zinc/67/15/80/1259671580.db2.gz UUJJDJKZWJIQKK-GPMSIDNRSA-N 2 0 365.522 0.365 20 0 FCADRP c1cnc(N2CCC[C@@]3(C2)C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756222 1259681418 /nfs/dbraw/zinc/68/14/18/1259681418.db2.gz MUQJVBUYKIKVMP-LPHOPBHVSA-N 2 0 358.490 0.242 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001335484685 1259681692 /nfs/dbraw/zinc/68/16/92/1259681692.db2.gz ZIVYJSCSCFXHFS-SFHVURJKSA-N 2 0 359.518 0.934 20 0 FCADRP c1cnc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769742 1259685913 /nfs/dbraw/zinc/68/59/13/1259685913.db2.gz XZDLKLOCNPYQAD-HKUYNNGSSA-N 2 0 372.517 0.489 20 0 FCADRP Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC001246810230 1259690717 /nfs/dbraw/zinc/69/07/17/1259690717.db2.gz RRXWMPCYTBKBFD-KSAJCEOXSA-N 2 0 359.474 0.665 20 0 FCADRP CCOC(=O)c1ccc(C[C@@H](C)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246824962 1259691181 /nfs/dbraw/zinc/69/11/81/1259691181.db2.gz ZXVKYHYDSKLGCU-QGZVFWFLSA-N 2 0 362.518 0.879 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(/C=C/C(=O)NCC[NH3+])n3)cc2)CC1 ZINC001247637958 1259705874 /nfs/dbraw/zinc/70/58/74/1259705874.db2.gz MDPTXJUKEGIZRM-VOTSOKGWSA-N 2 0 356.430 0.577 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3NC(=O)CC34C[NH2+]C4)n2)CC1 ZINC001247873313 1259707129 /nfs/dbraw/zinc/70/71/29/1259707129.db2.gz ZLEMCDUTTGFSJH-INIZCTEOSA-N 2 0 368.441 0.639 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@@]34C[NH2+]C[C@H]3CCN4)n2)CC1 ZINC001247835350 1259707553 /nfs/dbraw/zinc/70/75/53/1259707553.db2.gz JJEBUSVVTKHIHB-AUUYWEPGSA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(CNC(=O)[C@@H]4CCC[NH2+]4)n3)cc2)CC1 ZINC001248981776 1259720071 /nfs/dbraw/zinc/72/00/71/1259720071.db2.gz MKTQOAWUGQEXHK-INIZCTEOSA-N 2 0 370.457 0.857 20 0 FCADRP CCC[NH+](CCC)CCCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC001251024178 1259733364 /nfs/dbraw/zinc/73/33/64/1259733364.db2.gz NBOOBTOOBVELTE-FQEVSTJZSA-N 2 0 370.582 0.809 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986842 1259771663 /nfs/dbraw/zinc/77/16/63/1259771663.db2.gz ZAEHFMWVJSBGQA-GUDVDZBRSA-N 2 0 361.486 0.831 20 0 FCADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252933596 1259812321 /nfs/dbraw/zinc/81/23/21/1259812321.db2.gz LMPQNEWAWLARMY-TZIWHRDSSA-N 2 0 374.529 0.766 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181598 1259826019 /nfs/dbraw/zinc/82/60/19/1259826019.db2.gz FVHUUDBINHIKSU-ZWKOTPCHSA-N 2 0 365.518 0.816 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001253184342 1259828159 /nfs/dbraw/zinc/82/81/59/1259828159.db2.gz FBEZCVSYYQIIJA-RWQQGDIJSA-N 2 0 367.534 0.942 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001253390017 1259838519 /nfs/dbraw/zinc/83/85/19/1259838519.db2.gz HYNRVFFRVZNLON-BRSBDYLESA-N 2 0 367.534 0.989 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388839 1259838762 /nfs/dbraw/zinc/83/87/62/1259838762.db2.gz ONHZUAAAOZKPHH-CYBMUJFWSA-N 2 0 367.494 0.073 20 0 FCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001253448541 1259839261 /nfs/dbraw/zinc/83/92/61/1259839261.db2.gz OERXCMROSFPLDU-QGZVFWFLSA-N 2 0 365.518 0.987 20 0 FCADRP COC(=O)[C@H]1CN(C)CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040956 1259868177 /nfs/dbraw/zinc/86/81/77/1259868177.db2.gz FTPJAXQGPNPDGB-GOSISDBHSA-N 2 0 361.486 0.803 20 0 FCADRP Cn1nnc2c1CCN(C1CC[NH+](C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001256203634 1259936103 /nfs/dbraw/zinc/93/61/03/1259936103.db2.gz JVOIKOCZFMXPEY-GOSISDBHSA-N 2 0 362.522 0.921 20 0 FCADRP COC(=O)[C@H]1C[C@H](C(=O)OC)C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256698636 1259957548 /nfs/dbraw/zinc/95/75/48/1259957548.db2.gz QLWATCZRGLTEPK-JUVOFCAFSA-N 2 0 368.474 0.914 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001256792525 1259960360 /nfs/dbraw/zinc/96/03/60/1259960360.db2.gz QJMPAEWBKDSMTE-INIZCTEOSA-N 2 0 368.522 0.402 20 0 FCADRP COCC1(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC[NH2+]CC1 ZINC001331876589 1266297993 /nfs/dbraw/zinc/29/79/93/1266297993.db2.gz DKDLXOARKQTADZ-UHFFFAOYSA-N 2 0 367.538 0.424 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001522012404 1266298829 /nfs/dbraw/zinc/29/88/29/1266298829.db2.gz ZBIBTZUFLMMHCR-AEFFLSMTSA-N 2 0 367.538 0.103 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500434 1260151785 /nfs/dbraw/zinc/15/17/85/1260151785.db2.gz RUBOIXGGBNIWGS-BEFAXECRSA-N 2 0 368.522 0.578 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001336672118 1260198090 /nfs/dbraw/zinc/19/80/90/1260198090.db2.gz SKWMHKAFWDCAKG-UHFFFAOYSA-N 2 0 359.474 0.756 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC2)CC1 ZINC001261874440 1260205783 /nfs/dbraw/zinc/20/57/83/1260205783.db2.gz AGTASBKHHUFYIA-UHFFFAOYSA-N 2 0 359.474 0.322 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC001336802306 1260226792 /nfs/dbraw/zinc/22/67/92/1260226792.db2.gz VABJTHZTWRPEJG-MAUKXSAKSA-N 2 0 358.527 0.878 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)C1 ZINC001262035570 1260249176 /nfs/dbraw/zinc/24/91/76/1260249176.db2.gz NVDMOMHQOFYDBT-KURKYZTESA-N 2 0 373.501 0.850 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262046424 1260249858 /nfs/dbraw/zinc/24/98/58/1260249858.db2.gz QIQMFLBUPHMTFK-CEXWTWQISA-N 2 0 366.550 0.925 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)C2 ZINC001336949683 1260264463 /nfs/dbraw/zinc/26/44/63/1260264463.db2.gz CKHQWUARCJQHRN-PERQIHFISA-N 2 0 365.522 0.352 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978862 1260273458 /nfs/dbraw/zinc/27/34/58/1260273458.db2.gz XKYAQZKRSBLUPQ-XHSDSOJGSA-N 2 0 359.536 0.861 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084051 1260305699 /nfs/dbraw/zinc/30/56/99/1260305699.db2.gz GPVRYQUPVXEAKL-QZTJIDSGSA-N 2 0 352.523 0.630 20 0 FCADRP C[NH+](C)[C@H]1CC[C@H]2C[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]2C1 ZINC001337805836 1260488317 /nfs/dbraw/zinc/48/83/17/1260488317.db2.gz OKDKZLCVNANEKF-XHSDSOJGSA-N 3 0 363.506 0.622 20 0 FCADRP Cc1ncncc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001337805615 1260489010 /nfs/dbraw/zinc/48/90/10/1260489010.db2.gz FBCXLYHIRULPKA-UHFFFAOYSA-N 2 0 350.467 0.456 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1N1CC[NH+](C)CC1 ZINC001332119604 1266340646 /nfs/dbraw/zinc/34/06/46/1266340646.db2.gz JFQKJUWSRWUEFV-CALCHBBNSA-N 2 0 371.485 0.648 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc(CCO)cc3)C2)OCC1=O ZINC001277918557 1260677221 /nfs/dbraw/zinc/67/72/21/1260677221.db2.gz ZZDWPTPLIJAFJM-HXUWFJFHSA-N 2 0 361.486 0.586 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478888 1260698076 /nfs/dbraw/zinc/69/80/76/1260698076.db2.gz DEISBZJZRYHIDL-YLJYHZDGSA-N 2 0 362.518 0.873 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@H]2C1 ZINC001278508410 1260702808 /nfs/dbraw/zinc/70/28/08/1260702808.db2.gz SMENNNKQLXZAMO-IRXDYDNUSA-N 2 0 363.458 0.913 20 0 FCADRP CC(=O)OCc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)o1 ZINC001278824695 1260739035 /nfs/dbraw/zinc/73/90/35/1260739035.db2.gz LMLBYNPSNNCLIW-IRXDYDNUSA-N 2 0 361.442 0.985 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@H]2C1 ZINC001279309971 1260834884 /nfs/dbraw/zinc/83/48/84/1260834884.db2.gz QSORNTJIODFJSA-HOTGVXAUSA-N 2 0 359.474 0.115 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332252092 1266366596 /nfs/dbraw/zinc/36/65/96/1266366596.db2.gz HUHXSWHFKARLOU-MRXNPFEDSA-N 2 0 366.506 0.254 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@H]2C1 ZINC001279466567 1260873720 /nfs/dbraw/zinc/87/37/20/1260873720.db2.gz ADGDELIDCMAKMD-IKGGRYGDSA-N 2 0 367.490 0.298 20 0 FCADRP O=C1CCC[C@@]2(CN(CCn3ccnc3)CC[N@H+](C[C@H]3CCCO3)C2)N1 ZINC001279467095 1260875030 /nfs/dbraw/zinc/87/50/30/1260875030.db2.gz HOVFDYSMXNUHGY-MJGOQNOKSA-N 2 0 361.490 0.719 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2COC(C)(C)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279469847 1260875587 /nfs/dbraw/zinc/87/55/87/1260875587.db2.gz PZDRTCQHJOXOFL-QFBILLFUSA-N 2 0 368.522 0.356 20 0 FCADRP COCCOCN1CC[N@H+](CC2CC[NH2+]CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279614718 1260898920 /nfs/dbraw/zinc/89/89/20/1260898920.db2.gz ASWGWCCDDMOYNF-LJQANCHMSA-N 2 0 368.522 0.263 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001279674036 1260912224 /nfs/dbraw/zinc/91/22/24/1260912224.db2.gz GKFBWEFVQJNEQY-SJORKVTESA-N 2 0 357.462 0.313 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001279675555 1260913418 /nfs/dbraw/zinc/91/34/18/1260913418.db2.gz UKAJFJBBQIKUPL-OALUTQOASA-N 2 0 356.474 0.714 20 0 FCADRP COC(=O)CCC[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001279883335 1260950807 /nfs/dbraw/zinc/95/08/07/1260950807.db2.gz AWICDEUENUKTIR-UHFFFAOYSA-N 2 0 363.462 0.849 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C[C@@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892307 1260953485 /nfs/dbraw/zinc/95/34/85/1260953485.db2.gz FUDUBUKMJDIFPR-MAUKXSAKSA-N 2 0 361.490 0.877 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025614 1260979875 /nfs/dbraw/zinc/97/98/75/1260979875.db2.gz GBBQPGZFXPCDBO-FSDCSDTHSA-N 2 0 367.490 0.485 20 0 FCADRP C[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)CC1 ZINC001280126266 1261012023 /nfs/dbraw/zinc/01/20/23/1261012023.db2.gz VGVQEIYPRBSZII-JKSUJKDBSA-N 2 0 364.465 0.975 20 0 FCADRP O=C([C@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1)N1CC(N2CC(F)C2)C1 ZINC001280135194 1261013290 /nfs/dbraw/zinc/01/32/90/1261013290.db2.gz JTUWETFIKQNPAG-QGZVFWFLSA-N 2 0 366.481 0.084 20 0 FCADRP CC(=O)NCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169969 1261019726 /nfs/dbraw/zinc/01/97/26/1261019726.db2.gz OALUYELIYHMUBI-UYAOXDASSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(c1ccc2c(c1)C[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001332394170 1266394087 /nfs/dbraw/zinc/39/40/87/1266394087.db2.gz XVDTXCNNCSYMOJ-KRWDZBQOSA-N 2 0 356.470 0.616 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001281857449 1261238590 /nfs/dbraw/zinc/23/85/90/1261238590.db2.gz NLTXRYFAIDOPFQ-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O)C1CCC1 ZINC001281899363 1261268027 /nfs/dbraw/zinc/26/80/27/1261268027.db2.gz IWTRCKKASZSDPW-SJORKVTESA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)CC1 ZINC001345130949 1261638849 /nfs/dbraw/zinc/63/88/49/1261638849.db2.gz GINCJKIXYQVNMV-ZACQAIPSSA-N 2 0 362.518 0.587 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001580290388 1278096945 /nfs/dbraw/zinc/09/69/45/1278096945.db2.gz IALPYVGOJCYMBK-RYUDHWBXSA-N 2 0 367.417 0.059 20 0 FCADRP CC[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001345576328 1261743767 /nfs/dbraw/zinc/74/37/67/1261743767.db2.gz CRIKPFYQPWSORU-QGZVFWFLSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580320845 1278122191 /nfs/dbraw/zinc/12/21/91/1278122191.db2.gz LENKJIKKQCTATF-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C[C@H]1O ZINC001289146531 1262127584 /nfs/dbraw/zinc/12/75/84/1262127584.db2.gz UQSZRMZTBBDOLU-BRWVUGGUSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001580340888 1278138492 /nfs/dbraw/zinc/13/84/92/1278138492.db2.gz NYHDIJPBIUMSON-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP CNC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC001308435190 1263216615 /nfs/dbraw/zinc/21/66/15/1263216615.db2.gz BGOUXTDQPZMNJY-UHFFFAOYSA-N 2 0 360.502 0.932 20 0 FCADRP Cc1c(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nnn1C ZINC001310870625 1263242930 /nfs/dbraw/zinc/24/29/30/1263242930.db2.gz RMEWDJOSTMJYRN-UHFFFAOYSA-N 2 0 358.450 0.852 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001580383944 1278199723 /nfs/dbraw/zinc/19/97/23/1278199723.db2.gz GEVHPFDBNLQOAG-KSZLIROESA-N 2 0 366.506 0.778 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001316698769 1263427876 /nfs/dbraw/zinc/42/78/76/1263427876.db2.gz KPIXUYFNYOSQFD-KFWWJZLASA-N 2 0 364.494 0.149 20 0 FCADRP CNC(=O)NC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484136586 1263455424 /nfs/dbraw/zinc/45/54/24/1263455424.db2.gz MJUFIHPJULHPDH-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCCO3)CCC2)CC[N@@H+]1C ZINC001484634341 1263481342 /nfs/dbraw/zinc/48/13/42/1263481342.db2.gz LMEODKROEIYCDZ-BZUAXINKSA-N 2 0 366.506 0.250 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCNC(=O)CC3)CCC2)CC[N@@H+]1C ZINC001484633977 1263481922 /nfs/dbraw/zinc/48/19/22/1263481922.db2.gz BYYVXXHPNNMWIF-BZUAXINKSA-N 2 0 350.507 0.871 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318662291 1263597787 /nfs/dbraw/zinc/59/77/87/1263597787.db2.gz RYAHRUNMUISPBR-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580385560 1278207901 /nfs/dbraw/zinc/20/79/01/1278207901.db2.gz OISLWXQOPGZJQM-XOKHGSTOSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCNC(=O)C4CC4)C3)CC2)CC[N@@H+]1C ZINC001319398174 1263688095 /nfs/dbraw/zinc/68/80/95/1263688095.db2.gz MOQCSLHLMQIDAD-NVXWUHKLSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320820695 1263864396 /nfs/dbraw/zinc/86/43/96/1263864396.db2.gz QGASTHJMPARVAT-UHFFFAOYSA-N 2 0 370.457 0.797 20 0 FCADRP C[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@H+](C)CC1 ZINC001320921450 1263883194 /nfs/dbraw/zinc/88/31/94/1263883194.db2.gz FJOSKMALVYUUGT-AWEZNQCLSA-N 2 0 374.489 0.855 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001580400563 1278225890 /nfs/dbraw/zinc/22/58/90/1278225890.db2.gz FGVJTIJTRSEVSE-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506957907 1264347952 /nfs/dbraw/zinc/34/79/52/1264347952.db2.gz FKUBURXHIRZLCL-JKIFEVAISA-N 2 0 350.507 0.917 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC001323427031 1264427316 /nfs/dbraw/zinc/42/73/16/1264427316.db2.gz HUZSAUPXYXUXMG-SJORKVTESA-N 2 0 366.506 0.081 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCN2CC=CC2)CC1 ZINC001324369239 1264626489 /nfs/dbraw/zinc/62/64/89/1264626489.db2.gz HXFSJRWWMVEQNF-UHFFFAOYSA-N 2 0 357.458 0.365 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001325083203 1264770101 /nfs/dbraw/zinc/77/01/01/1264770101.db2.gz KLYQXRKMNGQGFF-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC001325087848 1264771192 /nfs/dbraw/zinc/77/11/92/1264771192.db2.gz ZHAJLSOZJIJRFT-YLJYHZDGSA-N 2 0 360.502 0.785 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580405830 1278241006 /nfs/dbraw/zinc/24/10/06/1278241006.db2.gz KFZAJAVPJRHYSJ-VXGBXAGGSA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580406623 1278244923 /nfs/dbraw/zinc/24/49/23/1278244923.db2.gz QVBBAVPGSHKHOV-DGCLKSJQSA-N 2 0 361.425 0.552 20 0 FCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001326287814 1265093917 /nfs/dbraw/zinc/09/39/17/1265093917.db2.gz LOFRJJBWDRAQGH-IRXDYDNUSA-N 2 0 357.458 0.506 20 0 FCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC001326287815 1265094410 /nfs/dbraw/zinc/09/44/10/1265094410.db2.gz LOFRJJBWDRAQGH-SJORKVTESA-N 2 0 357.458 0.506 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513418023 1265110394 /nfs/dbraw/zinc/11/03/94/1265110394.db2.gz FKONSUGWMFUCIS-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580408200 1278248087 /nfs/dbraw/zinc/24/80/87/1278248087.db2.gz FHJCQDBXUPIEDA-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326560279 1265134830 /nfs/dbraw/zinc/13/48/30/1265134830.db2.gz IDBOVXXBDNOQRQ-KXBFYZLASA-N 2 0 362.474 0.757 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001326592679 1265137972 /nfs/dbraw/zinc/13/79/72/1265137972.db2.gz RESOMRAAYLZRTP-GVDBMIGSSA-N 2 0 368.522 0.545 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001326592678 1265138582 /nfs/dbraw/zinc/13/85/82/1265138582.db2.gz RESOMRAAYLZRTP-BBWFWOEESA-N 2 0 368.522 0.545 20 0 FCADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001326794076 1265167310 /nfs/dbraw/zinc/16/73/10/1265167310.db2.gz WILINXPKPTWTHH-WMZOPIPTSA-N 2 0 362.522 0.543 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2O)CCC1 ZINC001513536369 1265190083 /nfs/dbraw/zinc/19/00/83/1265190083.db2.gz NJXJUDCEFDKZSC-CVEARBPZSA-N 2 0 371.441 0.120 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001327431086 1265318711 /nfs/dbraw/zinc/31/87/11/1265318711.db2.gz LXEAUUDJCISSDA-HNNXBMFYSA-N 2 0 359.474 0.493 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574111 1266432393 /nfs/dbraw/zinc/43/23/93/1266432393.db2.gz SIEFMBYCGFRACT-RCCFBDPRSA-N 2 0 367.538 0.694 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001332966490 1266512254 /nfs/dbraw/zinc/51/22/54/1266512254.db2.gz MQGVSLGCFSWRMR-HNNXBMFYSA-N 2 0 372.477 0.888 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001333179545 1266548491 /nfs/dbraw/zinc/54/84/91/1266548491.db2.gz URUKOERDNPFELP-HNNXBMFYSA-N 2 0 361.490 0.400 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC001522447105 1266556927 /nfs/dbraw/zinc/55/69/27/1266556927.db2.gz SHORFIXMJAUEKA-SJLPKXTDSA-N 2 0 362.474 0.658 20 0 FCADRP C[NH2+][C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC001522809828 1266583784 /nfs/dbraw/zinc/58/37/84/1266583784.db2.gz ISTATQSDTLJVIU-HNNXBMFYSA-N 2 0 353.488 0.100 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001526630436 1266823149 /nfs/dbraw/zinc/82/31/49/1266823149.db2.gz OBBTWUCRKXOUHU-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@H](NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001334211937 1266886894 /nfs/dbraw/zinc/88/68/94/1266886894.db2.gz BUCJZASWFMGYOO-HOTGVXAUSA-N 2 0 365.522 0.890 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@@H](N3CC[NH2+]CC3)C1)C2 ZINC001334242645 1266905973 /nfs/dbraw/zinc/90/59/73/1266905973.db2.gz WRKYWRYVSWZAJR-GFCCVEGCSA-N 2 0 350.492 0.059 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001334241267 1266906489 /nfs/dbraw/zinc/90/64/89/1266906489.db2.gz MCIDJMGBIIQRDU-SQNIBIBYSA-N 2 0 367.538 0.552 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001334241258 1266906512 /nfs/dbraw/zinc/90/65/12/1266906512.db2.gz MCIDJMGBIIQRDU-FGTMMUONSA-N 2 0 367.538 0.552 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)CC1 ZINC001335060435 1267307190 /nfs/dbraw/zinc/30/71/90/1267307190.db2.gz QFNJRVNDTSRLQX-KRWDZBQOSA-N 2 0 366.506 0.014 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3OCC[C@H]3C(N)=O)CC2)CC1 ZINC001548378530 1267690329 /nfs/dbraw/zinc/69/03/29/1267690329.db2.gz IXKHOQULZHGZJQ-SJLPKXTDSA-N 2 0 366.506 0.189 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]2[NH3+])cn1 ZINC001549048440 1267795879 /nfs/dbraw/zinc/79/58/79/1267795879.db2.gz JPZQZRQDPRRVDU-ROUUACIJSA-N 2 0 353.470 0.995 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC001549048602 1267796126 /nfs/dbraw/zinc/79/61/26/1267796126.db2.gz DDYXSGNDJCWROV-HIFRSBDPSA-N 2 0 369.462 0.246 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549125746 1267818526 /nfs/dbraw/zinc/81/85/26/1267818526.db2.gz PTGVHDIFRQMLML-JHDROBOHSA-N 2 0 361.490 0.497 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]2[NH3+])cn1 ZINC001549217241 1267859480 /nfs/dbraw/zinc/85/94/80/1267859480.db2.gz JCAFGZFMJBMZQJ-MSOLQXFVSA-N 2 0 360.506 0.978 20 0 FCADRP [NH3+]CC1(NC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCOCC1 ZINC001338687759 1268042030 /nfs/dbraw/zinc/04/20/30/1268042030.db2.gz NQRYIGJXUNQKMH-UHFFFAOYSA-N 2 0 361.490 0.399 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)C[C@@H]2[NH3+])cc1 ZINC001550104085 1268074958 /nfs/dbraw/zinc/07/49/58/1268074958.db2.gz BBFWVNRZMVJQEB-XIRDDKMYSA-N 2 0 370.457 0.778 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC001550271742 1268102681 /nfs/dbraw/zinc/10/26/81/1268102681.db2.gz JBQOGYKHXBSQOY-SFHVURJKSA-N 2 0 357.502 0.864 20 0 FCADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550284030 1268103719 /nfs/dbraw/zinc/10/37/19/1268103719.db2.gz SIUICCXHZIIWQB-OAGGEKHMSA-N 2 0 354.495 0.242 20 0 FCADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[N@H+](C)C1 ZINC001550284098 1268104194 /nfs/dbraw/zinc/10/41/94/1268104194.db2.gz WPTIBACBVAXERB-OAGGEKHMSA-N 2 0 354.495 0.506 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@H]3CC[NH2+]C3)C[C@@]2(C)C1 ZINC001550753964 1268163048 /nfs/dbraw/zinc/16/30/48/1268163048.db2.gz HTBRGFRSALNNNP-JTDSTZFVSA-N 2 0 359.474 0.915 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001550754137 1268163407 /nfs/dbraw/zinc/16/34/07/1268163407.db2.gz ISJPFJFEHILSBB-HUUCEWRRSA-N 2 0 352.479 0.213 20 0 FCADRP [NH3+][C@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC12CCOCC2 ZINC001550759462 1268164140 /nfs/dbraw/zinc/16/41/40/1268164140.db2.gz GGCPWUBBAIFFNE-CABCVRRESA-N 2 0 352.479 0.294 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC12CCOCC2 ZINC001550759468 1268164706 /nfs/dbraw/zinc/16/47/06/1268164706.db2.gz GGCPWUBBAIFFNE-HUUCEWRRSA-N 2 0 352.479 0.294 20 0 FCADRP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550769018 1268165974 /nfs/dbraw/zinc/16/59/74/1268165974.db2.gz WJOQMUNKVQYJHK-CABCVRRESA-N 2 0 352.479 0.213 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550912648 1268183870 /nfs/dbraw/zinc/18/38/70/1268183870.db2.gz JKLCELHCHCKZST-FXAWDEMLSA-N 2 0 358.486 0.848 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC001550912064 1268184091 /nfs/dbraw/zinc/18/40/91/1268184091.db2.gz FFXITPBIBNFFST-GUYCJALGSA-N 2 0 365.865 0.910 20 0 FCADRP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001550980205 1268188543 /nfs/dbraw/zinc/18/85/43/1268188543.db2.gz KTHNLQLPYWVGTP-NUJGCVRESA-N 2 0 368.522 0.990 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001551156011 1268209079 /nfs/dbraw/zinc/20/90/79/1268209079.db2.gz ACOIKYDZHSZPND-VIHIWDAPSA-N 2 0 351.491 0.999 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156013 1268209559 /nfs/dbraw/zinc/20/95/59/1268209559.db2.gz ACOIKYDZHSZPND-VZDIDWBNSA-N 2 0 351.491 0.999 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CCOC23CCOCC3)C[C@H]1C[NH+](C)C ZINC001551256799 1268218693 /nfs/dbraw/zinc/21/86/93/1268218693.db2.gz DHQMYQRBISAPHK-IXDOHACOSA-N 2 0 368.522 0.705 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC(N3CC[C@H](O)C3)C2)CC1 ZINC001551277993 1268221807 /nfs/dbraw/zinc/22/18/07/1268221807.db2.gz SIAGIUXPRAWCOE-RMXPPQQLSA-N 2 0 366.506 0.480 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C2CC[NH2+]CC2)N1 ZINC001551392877 1268231815 /nfs/dbraw/zinc/23/18/15/1268231815.db2.gz WODUGFDVSNAQCI-SOLBZPMBSA-N 3 0 350.507 0.382 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CCOC ZINC001551466425 1268257139 /nfs/dbraw/zinc/25/71/39/1268257139.db2.gz XYVXLNKVFJYYSR-DLBZAZTESA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001551466967 1268257190 /nfs/dbraw/zinc/25/71/90/1268257190.db2.gz ANTJRRJVRMJKTF-ZWKOTPCHSA-N 2 0 363.481 0.981 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N[C@H]1CCC[NH2+]C[C@@H]1F ZINC001551466965 1268257233 /nfs/dbraw/zinc/25/72/33/1268257233.db2.gz ANTJRRJVRMJKTF-ROUUACIJSA-N 2 0 363.481 0.981 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465629 1268257297 /nfs/dbraw/zinc/25/72/97/1268257297.db2.gz YECOTPVZMMIGKM-DLBZAZTESA-N 2 0 365.522 0.176 20 0 FCADRP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001551489319 1268260573 /nfs/dbraw/zinc/26/05/73/1268260573.db2.gz BWQZYLLAZSXYMR-MJEZEWASSA-N 2 0 372.469 0.703 20 0 FCADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551494301 1268261469 /nfs/dbraw/zinc/26/14/69/1268261469.db2.gz GJFHOMYMFJOYPN-ZLHSVIROSA-N 2 0 360.458 1.000 20 0 FCADRP C[NH2+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551552968 1268265096 /nfs/dbraw/zinc/26/50/96/1268265096.db2.gz GDYVXJCOPQYDLL-ZOBUZTSGSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551559013 1268269611 /nfs/dbraw/zinc/26/96/11/1268269611.db2.gz FPRVJWBGUXTAHV-XLMAVXFVSA-N 2 0 363.506 0.559 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001551558319 1268269876 /nfs/dbraw/zinc/26/98/76/1268269876.db2.gz YHPOGFBRBKIPSW-WDYCEAGBSA-N 2 0 363.506 0.561 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551559001 1268270225 /nfs/dbraw/zinc/27/02/25/1268270225.db2.gz FPRVJWBGUXTAHV-CVYDXHPNSA-N 2 0 363.506 0.559 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551561748 1268271859 /nfs/dbraw/zinc/27/18/59/1268271859.db2.gz KKDOPFIQFZYZKG-NUJGCVRESA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551573477 1268274514 /nfs/dbraw/zinc/27/45/14/1268274514.db2.gz WPEXEXJTEZOHMR-ZMSDIMECSA-N 2 0 351.495 0.417 20 0 FCADRP CN(C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC001551580454 1268277349 /nfs/dbraw/zinc/27/73/49/1268277349.db2.gz PXSJAQMQNSCFDU-NDTCATRNSA-N 2 0 351.495 0.545 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001551579751 1268277406 /nfs/dbraw/zinc/27/74/06/1268277406.db2.gz PCLYYCGTXHXOAG-KVSKMBFKSA-N 2 0 363.506 0.418 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC001552008993 1268350441 /nfs/dbraw/zinc/35/04/41/1268350441.db2.gz CSZPPVUKLQPCHM-RCCFBDPRSA-N 2 0 367.538 0.517 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)nn1 ZINC001552087008 1268365918 /nfs/dbraw/zinc/36/59/18/1268365918.db2.gz JLFNMZUHVYKTDX-JLJPHGGASA-N 2 0 364.494 0.169 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)C1 ZINC001552096924 1268371838 /nfs/dbraw/zinc/37/18/38/1268371838.db2.gz XGCZJLYZQQTERS-BRSBDYLESA-N 2 0 368.522 0.630 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)CC1(C)C ZINC001552135078 1268391572 /nfs/dbraw/zinc/39/15/72/1268391572.db2.gz DMAFSKNANRULLF-GVDBMIGSSA-N 2 0 367.538 0.299 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552154725 1268395845 /nfs/dbraw/zinc/39/58/45/1268395845.db2.gz PUVPLSXFDWNJKH-IRXDYDNUSA-N 2 0 350.507 0.681 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cnn1C ZINC001552161249 1268396220 /nfs/dbraw/zinc/39/62/20/1268396220.db2.gz LCUNFBNIWBORDC-SJORKVTESA-N 2 0 357.462 0.791 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)cnn1C ZINC001552163512 1268396898 /nfs/dbraw/zinc/39/68/98/1268396898.db2.gz GUBJUHUIRYOLGL-OKYOBFRVSA-N 2 0 353.470 0.985 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC001552167572 1268399625 /nfs/dbraw/zinc/39/96/25/1268399625.db2.gz DDIBKRVHPQSXCL-QZTJIDSGSA-N 2 0 354.458 0.775 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cnn1C ZINC001552167859 1268399901 /nfs/dbraw/zinc/39/99/01/1268399901.db2.gz KJKBTPUWJBJZFF-WDSOQIARSA-N 2 0 374.533 0.270 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@@H+]1CCOC ZINC001552179588 1268403901 /nfs/dbraw/zinc/40/39/01/1268403901.db2.gz LECXYNOGZWXBRQ-NJAFHUGGSA-N 2 0 363.506 0.601 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199596 1268407523 /nfs/dbraw/zinc/40/75/23/1268407523.db2.gz AVDYRPQFUKNLGH-FXAWDEMLSA-N 2 0 359.470 0.496 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@H]4C[NH+](C)C[C@@H]4C3)ccc2[nH]c1=O ZINC001552264817 1268426940 /nfs/dbraw/zinc/42/69/40/1268426940.db2.gz JQSULYJIOSWSJW-HUUCEWRRSA-N 2 0 357.458 0.937 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340076439 1268427662 /nfs/dbraw/zinc/42/76/62/1268427662.db2.gz CMDBKSOFJIYDPH-UHFFFAOYSA-N 2 0 350.463 0.646 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC)C1 ZINC001340212464 1268472281 /nfs/dbraw/zinc/47/22/81/1268472281.db2.gz HHUOEXIOIDHZML-UONOGXRCSA-N 2 0 350.467 0.951 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[NH+](C)C ZINC001552554513 1268476143 /nfs/dbraw/zinc/47/61/43/1268476143.db2.gz PLCJUQYEFYTNJJ-CABCVRRESA-N 2 0 363.510 0.658 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001340241382 1268482132 /nfs/dbraw/zinc/48/21/32/1268482132.db2.gz QLARRIGOPDSPLT-QGZVFWFLSA-N 2 0 356.511 0.482 20 0 FCADRP COCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552692972 1268522099 /nfs/dbraw/zinc/52/20/99/1268522099.db2.gz DBQFMKHDOMANCW-GDBMZVCRSA-N 2 0 350.467 0.561 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552693347 1268522252 /nfs/dbraw/zinc/52/22/52/1268522252.db2.gz AIGMCHRUVLJIOE-VYDXJSESSA-N 2 0 363.510 0.476 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001340384911 1268530444 /nfs/dbraw/zinc/53/04/44/1268530444.db2.gz ZRSWSFQBABZQAI-GMBSWORKSA-N 2 0 355.442 0.482 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H]1C[NH+](C)C ZINC001552751800 1268539617 /nfs/dbraw/zinc/53/96/17/1268539617.db2.gz WOEBZKLPHYWXMM-IGKNDFSCSA-N 2 0 364.534 0.879 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC001552751782 1268539656 /nfs/dbraw/zinc/53/96/56/1268539656.db2.gz WOEBZKLPHYWXMM-CWQOZTLDSA-N 2 0 364.534 0.879 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001552764016 1268540335 /nfs/dbraw/zinc/54/03/35/1268540335.db2.gz PLKHQBXOEFXIFW-VVLHAWIVSA-N 2 0 351.491 0.639 20 0 FCADRP CCO[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@@H]1C[NH3+] ZINC001552843331 1268558482 /nfs/dbraw/zinc/55/84/82/1268558482.db2.gz GCFOVKDTHDHOKY-JQWIXIFHSA-N 2 0 372.420 0.576 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C[C@H]1n1ccnn1 ZINC001552850472 1268559230 /nfs/dbraw/zinc/55/92/30/1268559230.db2.gz DPCAHNNAJLMROU-ZJIFWQFVSA-N 2 0 360.849 0.645 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)c1 ZINC001553019338 1268581210 /nfs/dbraw/zinc/58/12/10/1268581210.db2.gz KHFYAOMRJFXALC-HZPDHXFCSA-N 2 0 358.450 0.436 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@@H]2C1 ZINC001553383556 1268640029 /nfs/dbraw/zinc/64/00/29/1268640029.db2.gz QMTBNVFYVXHHMP-KDOFPFPSSA-N 2 0 364.877 0.727 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384807 1268640850 /nfs/dbraw/zinc/64/08/50/1268640850.db2.gz XELXSJSRDSZNMS-BEFAXECRSA-N 2 0 360.458 0.542 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@H]2C1 ZINC001553383554 1268641267 /nfs/dbraw/zinc/64/12/67/1268641267.db2.gz QMTBNVFYVXHHMP-KBXCAEBGSA-N 2 0 364.877 0.727 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@H]2C1 ZINC001553385274 1268642806 /nfs/dbraw/zinc/64/28/06/1268642806.db2.gz ZVOZHTYZWGXVFJ-UGSOOPFHSA-N 2 0 364.877 0.727 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553405799 1268646221 /nfs/dbraw/zinc/64/62/21/1268646221.db2.gz DPHCKEKDUZJSEI-UFYCRDLUSA-N 2 0 372.513 0.960 20 0 FCADRP O=C(N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001553439126 1268649892 /nfs/dbraw/zinc/64/98/92/1268649892.db2.gz LMDIWJISNILMSA-DLBZAZTESA-N 2 0 366.506 0.698 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001553439135 1268650035 /nfs/dbraw/zinc/65/00/35/1268650035.db2.gz LMDIWJISNILMSA-SJORKVTESA-N 2 0 366.506 0.698 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553444971 1268652105 /nfs/dbraw/zinc/65/21/05/1268652105.db2.gz YBDQUKRFDUFHGS-WMZOPIPTSA-N 2 0 372.517 0.974 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001553450171 1268653294 /nfs/dbraw/zinc/65/32/94/1268653294.db2.gz UJAQPIPDJISCAC-INIZCTEOSA-N 2 0 368.522 0.944 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@H]1CN(C)CCO1 ZINC001553460700 1268654812 /nfs/dbraw/zinc/65/48/12/1268654812.db2.gz AKTLAGGGQRQBBI-LESCRADOSA-N 2 0 354.495 0.493 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@H]3CCC[NH2+]C[C@@H]3F)n2)C1 ZINC001553545132 1268666731 /nfs/dbraw/zinc/66/67/31/1268666731.db2.gz BZSVUOHDIQJYPS-SNPRPXQTSA-N 2 0 350.442 0.508 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001340902376 1268701691 /nfs/dbraw/zinc/70/16/91/1268701691.db2.gz WUDWGEVUDPBEPB-LJQANCHMSA-N 2 0 357.458 0.043 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)nn1 ZINC001554035519 1268745042 /nfs/dbraw/zinc/74/50/42/1268745042.db2.gz FKRFBLSVLPZKEN-DZGCQCFKSA-N 2 0 368.401 0.199 20 0 FCADRP C[C@@H]1C[C@H](C)CN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001341184833 1268844421 /nfs/dbraw/zinc/84/44/21/1268844421.db2.gz QPRRCIVZUGFKRK-DLBZAZTESA-N 2 0 373.501 0.967 20 0 FCADRP CCC[C@@H]1CN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC001341293305 1268921274 /nfs/dbraw/zinc/92/12/74/1268921274.db2.gz FNCZLZBNMRTULG-NVXWUHKLSA-N 2 0 356.511 0.435 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)[NH+](CC)CC ZINC001341514764 1269046221 /nfs/dbraw/zinc/04/62/21/1269046221.db2.gz JYSBBGUOPJHWKH-OWCLPIDISA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)[NH+](CC)CC ZINC001341514761 1269046728 /nfs/dbraw/zinc/04/67/28/1269046728.db2.gz JYSBBGUOPJHWKH-BZUAXINKSA-N 2 0 368.522 0.279 20 0 FCADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001341579112 1269092006 /nfs/dbraw/zinc/09/20/06/1269092006.db2.gz GSRXCTRQXZMFMF-IVMMDQJWSA-N 2 0 360.462 0.754 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001341718053 1269168510 /nfs/dbraw/zinc/16/85/10/1269168510.db2.gz ZIBVHSLDMFODSF-QGZVFWFLSA-N 2 0 352.454 0.863 20 0 FCADRP [NH3+]CCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC001341733333 1269176523 /nfs/dbraw/zinc/17/65/23/1269176523.db2.gz NOGOXDHWRZKOHK-FUHWJXTLSA-N 2 0 358.486 0.908 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001341761821 1269190707 /nfs/dbraw/zinc/19/07/07/1269190707.db2.gz VRMYUDBISBSDHB-KRWDZBQOSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037537 1269405413 /nfs/dbraw/zinc/40/54/13/1269405413.db2.gz OIOBTCXPTJPQAC-IAGOWNOFSA-N 2 0 355.527 0.016 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036088 1269742825 /nfs/dbraw/zinc/74/28/25/1269742825.db2.gz CDSBDJKADROFNE-KDOFPFPSSA-N 2 0 372.469 0.922 20 0 FCADRP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001569418858 1269782451 /nfs/dbraw/zinc/78/24/51/1269782451.db2.gz KDLJQEKXRGIKLP-KURKYZTESA-N 2 0 361.486 0.578 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC001343408584 1269899054 /nfs/dbraw/zinc/89/90/54/1269899054.db2.gz AJVPBGCOBYIYMT-JENIJYKNSA-N 2 0 359.518 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C[C@H]1O ZINC001572854966 1270271242 /nfs/dbraw/zinc/27/12/42/1270271242.db2.gz LMNHYTBHCNIUGO-IXDOHACOSA-N 2 0 368.522 0.137 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001572955982 1270403784 /nfs/dbraw/zinc/40/37/84/1270403784.db2.gz VYNZOPNJZLLFMX-IAGOWNOFSA-N 2 0 366.506 0.297 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC ZINC001572962260 1270416577 /nfs/dbraw/zinc/41/65/77/1270416577.db2.gz NATUDYHATWLKLZ-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cn(C2C[NH2+]C2)nn1 ZINC001580635140 1278599088 /nfs/dbraw/zinc/59/90/88/1278599088.db2.gz KPVKGWZMTRXUQD-UHFFFAOYSA-N 2 0 350.492 0.514 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288577 1271165289 /nfs/dbraw/zinc/16/52/89/1271165289.db2.gz KUJYTFIBLYGKDK-BBRMVZONSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603277 1271407838 /nfs/dbraw/zinc/40/78/38/1271407838.db2.gz BLQLWIAWAJOQAY-STQMWFEESA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574611519 1271417012 /nfs/dbraw/zinc/41/70/12/1271417012.db2.gz DRULCQSWBOEJCR-AWEZNQCLSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCC1 ZINC001574671105 1271473104 /nfs/dbraw/zinc/47/31/04/1271473104.db2.gz JQSIGBUKGSXEHI-AWEZNQCLSA-N 2 0 372.477 0.866 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580655567 1278637847 /nfs/dbraw/zinc/63/78/47/1278637847.db2.gz ZLSSDDSAKSKYIJ-GOSISDBHSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001574780184 1271514235 /nfs/dbraw/zinc/51/42/35/1271514235.db2.gz XYJNOGQHVMLUQG-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786633 1271521207 /nfs/dbraw/zinc/52/12/07/1271521207.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574803666 1271540538 /nfs/dbraw/zinc/54/05/38/1271540538.db2.gz GIEBNXSJNRZCFI-LBPRGKRZSA-N 2 0 356.434 0.298 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574803219 1271540915 /nfs/dbraw/zinc/54/09/15/1271540915.db2.gz BLKWKHPGPJLYNJ-CHWSQXEVSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574854352 1271605161 /nfs/dbraw/zinc/60/51/61/1271605161.db2.gz LOEUOIRVSXIGKM-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870874 1271622447 /nfs/dbraw/zinc/62/24/47/1271622447.db2.gz DWQRNCQVJDPTGG-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870694 1271622544 /nfs/dbraw/zinc/62/25/44/1271622544.db2.gz CTDYRYNZTRBANZ-IAQYHMDHSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574874128 1271624276 /nfs/dbraw/zinc/62/42/76/1271624276.db2.gz CEFUMMITBSMXTD-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874717 1271626905 /nfs/dbraw/zinc/62/69/05/1271626905.db2.gz UPJLMKHEZGSDPR-WFASDCNBSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1C[NH2+]C1 ZINC001575058790 1271703570 /nfs/dbraw/zinc/70/35/70/1271703570.db2.gz YPUKYHSZMOILLE-AWEZNQCLSA-N 2 0 352.523 0.785 20 0 FCADRP CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195712 1271781336 /nfs/dbraw/zinc/78/13/36/1271781336.db2.gz MMNWTLIHFUOLLO-CRAIPNDOSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575383280 1272024998 /nfs/dbraw/zinc/02/49/98/1272024998.db2.gz DZKTXJSWGLGRGD-NWDGAFQWSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001575383686 1272025365 /nfs/dbraw/zinc/02/53/65/1272025365.db2.gz FTXVGEWFRBUZCN-KGLIPLIRSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575383282 1272026051 /nfs/dbraw/zinc/02/60/51/1272026051.db2.gz DZKTXJSWGLGRGD-RYUDHWBXSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419482 1272076844 /nfs/dbraw/zinc/07/68/44/1272076844.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 0 364.494 0.163 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420451 1272077148 /nfs/dbraw/zinc/07/71/48/1272077148.db2.gz LBTJODRFFVRTQC-IAGOWNOFSA-N 2 0 364.494 0.427 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420450 1272077282 /nfs/dbraw/zinc/07/72/82/1272077282.db2.gz LBTJODRFFVRTQC-DLBZAZTESA-N 2 0 364.494 0.427 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001575437999 1272108512 /nfs/dbraw/zinc/10/85/12/1272108512.db2.gz DTRALHBELLASIZ-CYBMUJFWSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(C3(O)CC[NH2+]CC3)CCC2)C1 ZINC001575600764 1272226555 /nfs/dbraw/zinc/22/65/55/1272226555.db2.gz JUNYHOIBRMIWHK-MRXNPFEDSA-N 2 0 353.507 0.744 20 0 FCADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575681356 1272293956 /nfs/dbraw/zinc/29/39/56/1272293956.db2.gz DIAPZQXOYIYRQW-ZIAGYGMSSA-N 2 0 370.523 0.058 20 0 FCADRP CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2CC[NH2+]CC2)CC1 ZINC001575700004 1272322243 /nfs/dbraw/zinc/32/22/43/1272322243.db2.gz MGHRQARZRJBGTP-UHFFFAOYSA-N 2 0 373.505 0.918 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1CC[NH+]1CCCC1 ZINC001575712344 1272352184 /nfs/dbraw/zinc/35/21/84/1272352184.db2.gz OPKFUEFCRWIWMT-LSDHHAIUSA-N 2 0 363.510 0.686 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[NH2+][C@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001575714479 1272354943 /nfs/dbraw/zinc/35/49/43/1272354943.db2.gz AJSGJXNMSQJIKA-CQSZACIVSA-N 2 0 363.510 0.699 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H](C)[NH3+] ZINC001575716354 1272360966 /nfs/dbraw/zinc/36/09/66/1272360966.db2.gz PCQMXKNPQDZYSC-HUUCEWRRSA-N 2 0 363.510 0.828 20 0 FCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CC2(C[NH2+]C2)C1 ZINC001580682648 1278706438 /nfs/dbraw/zinc/70/64/38/1278706438.db2.gz KAWBCWYTTSKZGB-UHFFFAOYSA-N 2 0 357.502 0.809 20 0 FCADRP C[C@@H](Cn1c(CC2CC2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001576009335 1272703988 /nfs/dbraw/zinc/70/39/88/1272703988.db2.gz ZQGVUJKSNLCJIR-VYDXJSESSA-N 2 0 362.522 0.982 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cn[nH]n1)CC2)[NH+](C)C ZINC001576182622 1272978687 /nfs/dbraw/zinc/97/86/87/1272978687.db2.gz APBIVDWTRWZFFA-HZPDHXFCSA-N 2 0 364.494 0.632 20 0 FCADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576231215 1272997046 /nfs/dbraw/zinc/99/70/46/1272997046.db2.gz GMWZKBCXFQDGEU-WFASDCNBSA-N 2 0 368.445 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576249363 1273032064 /nfs/dbraw/zinc/03/20/64/1273032064.db2.gz XKBNHMKXMVBGKU-YPMHNXCESA-N 2 0 363.491 0.816 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576256055 1273040760 /nfs/dbraw/zinc/04/07/60/1273040760.db2.gz NKDJEDZBBBYHIY-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP CC1(C)CC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)CC(C)(C)[NH2+]1 ZINC001576396065 1273234238 /nfs/dbraw/zinc/23/42/38/1273234238.db2.gz VADZSIJYXZUFDX-XBFCOCLRSA-N 2 0 357.520 0.435 20 0 FCADRP CC1(C)CC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)CC(C)(C)[NH2+]1 ZINC001576396063 1273235682 /nfs/dbraw/zinc/23/56/82/1273235682.db2.gz VADZSIJYXZUFDX-MRVWCRGKSA-N 2 0 357.520 0.435 20 0 FCADRP CC[C@H](C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576483277 1273323736 /nfs/dbraw/zinc/32/37/36/1273323736.db2.gz SEPRIMUEPMEHPS-DZGCQCFKSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@H](C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576483279 1273324222 /nfs/dbraw/zinc/32/42/22/1273324222.db2.gz SEPRIMUEPMEHPS-UKRRQHHQSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)[NH+](C)C ZINC001576490492 1273341965 /nfs/dbraw/zinc/34/19/65/1273341965.db2.gz MNXDNJVMKVRYSD-LSDHHAIUSA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576497936 1273356808 /nfs/dbraw/zinc/35/68/08/1273356808.db2.gz ICWMPTQWEJYRBR-ZFWWWQNUSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576497891 1273357110 /nfs/dbraw/zinc/35/71/10/1273357110.db2.gz HPOLXQBJWZCHDT-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500284 1273364078 /nfs/dbraw/zinc/36/40/78/1273364078.db2.gz XMJRRMIHDZXGRD-CVEARBPZSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576505437 1273372305 /nfs/dbraw/zinc/37/23/05/1273372305.db2.gz GVLCJCDFFMPLAJ-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576508601 1273380578 /nfs/dbraw/zinc/38/05/78/1273380578.db2.gz KJEBXEGNSCJWSF-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576509211 1273381940 /nfs/dbraw/zinc/38/19/40/1273381940.db2.gz ZRJPYSLCVFJMSL-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576513067 1273391388 /nfs/dbraw/zinc/39/13/88/1273391388.db2.gz UJGJJYNZWSMZLG-TYNCELHUSA-N 2 0 358.450 0.391 20 0 FCADRP CC[C@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518534 1273404013 /nfs/dbraw/zinc/40/40/13/1273404013.db2.gz MOPDWBDLTUJEFR-LSDHHAIUSA-N 2 0 358.450 0.331 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@@]2(C)C1 ZINC001576521396 1273406317 /nfs/dbraw/zinc/40/63/17/1273406317.db2.gz FTDMPWBLTOWPGN-HFTRVMKXSA-N 2 0 366.485 0.807 20 0 FCADRP CC[C@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)[NH+](C)C ZINC001576522581 1273410727 /nfs/dbraw/zinc/41/07/27/1273410727.db2.gz XGLGBWTWERIKHT-CABCVRRESA-N 2 0 374.493 0.967 20 0 FCADRP CCOCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001576581558 1273460631 /nfs/dbraw/zinc/46/06/31/1273460631.db2.gz BASRMGCJBKHRFI-QGZVFWFLSA-N 2 0 364.494 0.728 20 0 FCADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576766344 1273641983 /nfs/dbraw/zinc/64/19/83/1273641983.db2.gz KJINWGWRPZJTLG-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576767085 1273643439 /nfs/dbraw/zinc/64/34/39/1273643439.db2.gz KJLKEDYNPYXMEV-WFASDCNBSA-N 2 0 360.466 0.577 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001576772780 1273650688 /nfs/dbraw/zinc/65/06/88/1273650688.db2.gz ROFUYCPARZGCCY-ZACQAIPSSA-N 2 0 353.511 0.032 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792452 1273693833 /nfs/dbraw/zinc/69/38/33/1273693833.db2.gz VFLQTVQNDLROBD-CJNGLKHVSA-N 2 0 372.477 0.783 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794289 1273698209 /nfs/dbraw/zinc/69/82/09/1273698209.db2.gz DUELENXRHQOBGK-HOTGVXAUSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1C[NH3+] ZINC001576801688 1273708240 /nfs/dbraw/zinc/70/82/40/1273708240.db2.gz SXCCCCVSWBCGOT-CHWSQXEVSA-N 2 0 354.476 0.579 20 0 FCADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805590 1273713038 /nfs/dbraw/zinc/71/30/38/1273713038.db2.gz IQSFXAQSDZWPFH-ZIAGYGMSSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824099 1273747582 /nfs/dbraw/zinc/74/75/82/1273747582.db2.gz QETGUMDACGRPOI-ZDUSSCGKSA-N 2 0 374.493 0.968 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576847111 1273792103 /nfs/dbraw/zinc/79/21/03/1273792103.db2.gz CANPRHIOSPUNQY-JKSUJKDBSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H]1COCCN1c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001576863246 1273827553 /nfs/dbraw/zinc/82/75/53/1273827553.db2.gz YRPAEXVLCIZVTQ-SOUVJXGZSA-N 2 0 366.535 0.757 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH3+])C1 ZINC001576995066 1274028741 /nfs/dbraw/zinc/02/87/41/1274028741.db2.gz IKKHWPJQGMCRLH-LSDHHAIUSA-N 2 0 365.526 0.932 20 0 FCADRP CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001577530281 1274474701 /nfs/dbraw/zinc/47/47/01/1274474701.db2.gz ISKLGIXGAXAFRQ-CVEARBPZSA-N 2 0 366.510 0.710 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1 ZINC001577535901 1274477676 /nfs/dbraw/zinc/47/76/76/1274477676.db2.gz KDTNEXUJABCGDJ-GJZGRUSLSA-N 2 0 361.494 0.513 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550367 1274489362 /nfs/dbraw/zinc/48/93/62/1274489362.db2.gz DVHUHJSXCVADMY-QWHCGFSZSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577553575 1274493190 /nfs/dbraw/zinc/49/31/90/1274493190.db2.gz CIUIYUDJDDJZDT-CQSZACIVSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577560429 1274507583 /nfs/dbraw/zinc/50/75/83/1274507583.db2.gz DXLLYTNJADVKAC-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577561122 1274509612 /nfs/dbraw/zinc/50/96/12/1274509612.db2.gz QQGNSMRPTUNJRL-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563622 1274517728 /nfs/dbraw/zinc/51/77/28/1274517728.db2.gz VAAVOFOHPASZGC-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577567999 1274526120 /nfs/dbraw/zinc/52/61/20/1274526120.db2.gz KPWPTLMCCIOJSD-UHFFFAOYSA-N 2 0 360.466 0.888 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667538 1274690540 /nfs/dbraw/zinc/69/05/40/1274690540.db2.gz DWJDUSWDHZKDSX-XJKSGUPXSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672947 1274705571 /nfs/dbraw/zinc/70/55/71/1274705571.db2.gz DJMPQGDWDCWPSO-WFASDCNBSA-N 2 0 358.450 0.475 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673366 1274709328 /nfs/dbraw/zinc/70/93/28/1274709328.db2.gz JTZUECMZNDFFDU-ZENOOKHLSA-N 2 0 370.461 0.617 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001577684784 1274739227 /nfs/dbraw/zinc/73/92/27/1274739227.db2.gz KIFBJPQULPCQGI-HNNXBMFYSA-N 2 0 353.511 0.570 20 0 FCADRP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC001577730959 1274808178 /nfs/dbraw/zinc/80/81/78/1274808178.db2.gz BBIHHTOUJFHWOJ-ZFWWWQNUSA-N 2 0 361.494 0.512 20 0 FCADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755609 1274834234 /nfs/dbraw/zinc/83/42/34/1274834234.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 0 358.490 0.898 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001577763575 1274845587 /nfs/dbraw/zinc/84/55/87/1274845587.db2.gz FMAFDKLACIJTNN-CABCVRRESA-N 2 0 356.478 0.862 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001577764263 1274847673 /nfs/dbraw/zinc/84/76/73/1274847673.db2.gz WCGNTBWDHBSCOE-SOUVJXGZSA-N 2 0 361.494 0.103 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3C[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775995 1274867175 /nfs/dbraw/zinc/86/71/75/1274867175.db2.gz UWYRXHJHKRMOPS-ROUUACIJSA-N 2 0 361.538 0.802 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)C[C@@H]1C ZINC001577780736 1274875310 /nfs/dbraw/zinc/87/53/10/1274875310.db2.gz DYAORUVQOIAPDN-KBPBESRZSA-N 2 0 359.482 0.410 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577851794 1274988704 /nfs/dbraw/zinc/98/87/04/1274988704.db2.gz BURUOXKDEOCRCA-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577855773 1275010316 /nfs/dbraw/zinc/01/03/16/1275010316.db2.gz PMTMJLJPNYGFOW-TZMCWYRMSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860678 1275024277 /nfs/dbraw/zinc/02/42/77/1275024277.db2.gz YRFDCDJSMYAWIT-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577863498 1275038263 /nfs/dbraw/zinc/03/82/63/1275038263.db2.gz WSPIHOHUODQQKA-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577871795 1275060050 /nfs/dbraw/zinc/06/00/50/1275060050.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577879779 1275077117 /nfs/dbraw/zinc/07/71/17/1275077117.db2.gz MULYJRUPUPUQLO-CYBMUJFWSA-N 2 0 360.466 0.593 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577883374 1275085508 /nfs/dbraw/zinc/08/55/08/1275085508.db2.gz ZNKOVXCLQDFJHG-ZIAGYGMSSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577886068 1275090651 /nfs/dbraw/zinc/09/06/51/1275090651.db2.gz WJRCRQCBFQBZMQ-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577888673 1275095835 /nfs/dbraw/zinc/09/58/35/1275095835.db2.gz SGBAFZCGCTUJCB-UHFFFAOYSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577892995 1275102051 /nfs/dbraw/zinc/10/20/51/1275102051.db2.gz XBLQAIOEDIWHNX-MRXNPFEDSA-N 2 0 374.493 0.887 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577899061 1275110217 /nfs/dbraw/zinc/11/02/17/1275110217.db2.gz PYSDVKDIVTUDBO-HALDLXJZSA-N 2 0 370.461 0.463 20 0 FCADRP CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577957507 1275179864 /nfs/dbraw/zinc/17/98/64/1275179864.db2.gz GYCGMMILZFLLQZ-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577958483 1275182001 /nfs/dbraw/zinc/18/20/01/1275182001.db2.gz RPAXPZKCMRBGMT-AWEZNQCLSA-N 2 0 372.477 0.854 20 0 FCADRP CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001577966927 1275192408 /nfs/dbraw/zinc/19/24/08/1275192408.db2.gz BAXUOLMNCZFMJS-DZGCQCFKSA-N 2 0 352.435 0.228 20 0 FCADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577976063 1275202157 /nfs/dbraw/zinc/20/21/57/1275202157.db2.gz NPTVGXNFSQDUQR-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578055038 1275346330 /nfs/dbraw/zinc/34/63/30/1275346330.db2.gz DYUKXRJZKQJQES-CQSZACIVSA-N 2 0 358.450 0.607 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578129658 1275428407 /nfs/dbraw/zinc/42/84/07/1275428407.db2.gz KSQNWQGMVUGQJT-KEYYUXOJSA-N 2 0 352.483 0.055 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001578136218 1275435364 /nfs/dbraw/zinc/43/53/64/1275435364.db2.gz OHFCAIJDHCFQPC-INIZCTEOSA-N 2 0 372.477 0.818 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578221178 1275519348 /nfs/dbraw/zinc/51/93/48/1275519348.db2.gz OEFNWJJLEORAHZ-OAHLLOKOSA-N 2 0 372.477 0.997 20 0 FCADRP CCc1nnc(N2CC[C@H]([NH2+]C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001578314872 1275655381 /nfs/dbraw/zinc/65/53/81/1275655381.db2.gz FGGMVNDDUNEXCT-SJORKVTESA-N 2 0 363.554 0.912 20 0 FCADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412496 1275783493 /nfs/dbraw/zinc/78/34/93/1275783493.db2.gz OBQOKZYGEZVDEZ-IAGOWNOFSA-N 2 0 352.523 0.759 20 0 FCADRP CN(CC(C)(C)C[NH+](C)C)C(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001578412834 1275784750 /nfs/dbraw/zinc/78/47/50/1275784750.db2.gz ALLCNCDAIWLROA-UHFFFAOYSA-N 2 0 351.499 0.756 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001578416971 1275786412 /nfs/dbraw/zinc/78/64/12/1275786412.db2.gz IPTBYZQQGBEDEA-UHFFFAOYSA-N 3 0 351.499 0.765 20 0 FCADRP C[NH+](C)CCOCCn1c(Cc2cccnc2)nnc1N1CC[NH2+]CC1 ZINC001578419207 1275787052 /nfs/dbraw/zinc/78/70/52/1275787052.db2.gz KTEIAXWTDQRSKE-UHFFFAOYSA-N 2 0 359.478 0.252 20 0 FCADRP CN(c1nnc([C@H]2CCOC2)n1CCOCC[NH+](C)C)C1CC[NH2+]CC1 ZINC001578419456 1275787917 /nfs/dbraw/zinc/78/79/17/1275787917.db2.gz STSZATIPOMFGIQ-HNNXBMFYSA-N 2 0 366.510 0.548 20 0 FCADRP CN(Cc1ccon1)c1nnc([C@@H]2CCC[NH2+]2)n1CCOCC[NH+](C)C ZINC001578418575 1275787987 /nfs/dbraw/zinc/78/79/87/1275787987.db2.gz FZGGLKKXBIULSH-HNNXBMFYSA-N 2 0 363.466 0.905 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578443792 1275827765 /nfs/dbraw/zinc/82/77/65/1275827765.db2.gz DQXRFYHOBAEWBZ-SWLSCSKDSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578444747 1275831498 /nfs/dbraw/zinc/83/14/98/1275831498.db2.gz ZHTISSRMRUYHMU-XJKSGUPXSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C)[NH+](C)C ZINC001578472169 1275884840 /nfs/dbraw/zinc/88/48/40/1275884840.db2.gz PEFXFXRBNGBLNV-VHDGCEQUSA-N 2 0 372.477 0.994 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578525603 1275957503 /nfs/dbraw/zinc/95/75/03/1275957503.db2.gz JPXSKZXRQJEQEA-KDOFPFPSSA-N 2 0 357.462 0.192 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)(N2CCOCC2)CC1 ZINC001578523602 1275957700 /nfs/dbraw/zinc/95/77/00/1275957700.db2.gz OOIFLOCSLQKITP-QFBILLFUSA-N 2 0 350.507 0.431 20 0 FCADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578524253 1275958272 /nfs/dbraw/zinc/95/82/72/1275958272.db2.gz CANAKPXTURPFKE-RCCFBDPRSA-N 2 0 352.523 0.770 20 0 FCADRP CN(CCCCCO)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578525951 1275959264 /nfs/dbraw/zinc/95/92/64/1275959264.db2.gz VAJWWZVNSCZAJY-RVKKMQEKSA-N 2 0 366.510 0.148 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528713 1275959513 /nfs/dbraw/zinc/95/95/13/1275959513.db2.gz LCTXTQNOZUNSBI-QWHCGFSZSA-N 2 0 351.417 0.464 20 0 FCADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529744 1275962440 /nfs/dbraw/zinc/96/24/40/1275962440.db2.gz ZHRPTHUTVZXIML-IAGOWNOFSA-N 2 0 356.470 0.798 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CCCC[C@]3(C[NH3+])C2)CC1 ZINC001578533300 1275963719 /nfs/dbraw/zinc/96/37/19/1275963719.db2.gz DUYDOMCVWCPUID-SJORKVTESA-N 2 0 358.552 0.405 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC001578533618 1275964941 /nfs/dbraw/zinc/96/49/41/1275964941.db2.gz PKVDGRXAVCFUEQ-UHFFFAOYSA-N 2 0 353.511 0.176 20 0 FCADRP CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001578549953 1275977561 /nfs/dbraw/zinc/97/75/61/1275977561.db2.gz ZCOSHUSAQQYTQC-KFWWJZLASA-N 2 0 363.510 0.615 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](C)CCCOC)C1 ZINC001578618007 1276052857 /nfs/dbraw/zinc/05/28/57/1276052857.db2.gz QSEFDUSIWZFKNB-JKSUJKDBSA-N 2 0 366.510 0.896 20 0 FCADRP C[NH2+]C[C@H](O)CN(C)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001578647505 1276097186 /nfs/dbraw/zinc/09/71/86/1276097186.db2.gz QODUGZPGGDUVCP-HNNXBMFYSA-N 2 0 356.511 0.632 20 0 FCADRP C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001578653141 1276104437 /nfs/dbraw/zinc/10/44/37/1276104437.db2.gz TZTANWOKAIJLLT-MRXNPFEDSA-N 2 0 359.474 0.764 20 0 FCADRP C[NH2+]CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001578721061 1276194318 /nfs/dbraw/zinc/19/43/18/1276194318.db2.gz MIMWDPAVNQIMNY-UHFFFAOYSA-N 2 0 365.526 0.946 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC12C[NH2+]C2 ZINC001578795768 1276283333 /nfs/dbraw/zinc/28/33/33/1276283333.db2.gz RWFHAKGAGWGDFB-KBPBESRZSA-N 2 0 354.495 0.757 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC1 ZINC001578965440 1276509072 /nfs/dbraw/zinc/50/90/72/1276509072.db2.gz ULZQBZQJONMFTQ-HNNXBMFYSA-N 2 0 370.461 0.475 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578971076 1276516336 /nfs/dbraw/zinc/51/63/36/1276516336.db2.gz SLTCOWAZUHDMFW-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578972921 1276517929 /nfs/dbraw/zinc/51/79/29/1276517929.db2.gz FHGOSMWHYNBVIV-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578973438 1276519672 /nfs/dbraw/zinc/51/96/72/1276519672.db2.gz OEMDHDMXBFQTHW-UHFFFAOYSA-N 2 0 357.462 0.897 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001578973636 1276520771 /nfs/dbraw/zinc/52/07/71/1276520771.db2.gz WCJWOIMQZIJRTH-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578974919 1276524421 /nfs/dbraw/zinc/52/44/21/1276524421.db2.gz XIXZQVKCIHSNLB-CYBMUJFWSA-N 2 0 358.450 0.498 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578974962 1276524587 /nfs/dbraw/zinc/52/45/87/1276524587.db2.gz YJTNPVJOQOKSFD-ZDUSSCGKSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001578974897 1276524802 /nfs/dbraw/zinc/52/48/02/1276524802.db2.gz WNPNFABCVCYSTA-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578977025 1276532085 /nfs/dbraw/zinc/53/20/85/1276532085.db2.gz IZERVUCQNWBUIN-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578980256 1276540601 /nfs/dbraw/zinc/54/06/01/1276540601.db2.gz FEAQDHCMQYAQRN-GFCCVEGCSA-N 2 0 363.491 0.818 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578982261 1276545930 /nfs/dbraw/zinc/54/59/30/1276545930.db2.gz JJUSVSFNQSNTGP-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578983128 1276547499 /nfs/dbraw/zinc/54/74/99/1276547499.db2.gz CFXORGQRXQQSME-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578984201 1276549483 /nfs/dbraw/zinc/54/94/83/1276549483.db2.gz WAMWOCWHRZFUDM-OAHLLOKOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578984225 1276549946 /nfs/dbraw/zinc/54/99/46/1276549946.db2.gz XCWJSICDSGLIBM-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578987714 1276556938 /nfs/dbraw/zinc/55/69/38/1276556938.db2.gz OLMZFZNNZVGTEV-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578987472 1276557460 /nfs/dbraw/zinc/55/74/60/1276557460.db2.gz FLBBYCOJDHCESQ-HALDLXJZSA-N 2 0 373.436 0.504 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578987998 1276560201 /nfs/dbraw/zinc/56/02/01/1276560201.db2.gz LMXSVTHXNDFNQG-HDJSIYSDSA-N 2 0 361.425 0.694 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001578988295 1276562059 /nfs/dbraw/zinc/56/20/59/1276562059.db2.gz UQTUAFCWDGALIB-JYAVWHMHSA-N 2 0 361.475 0.426 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578988209 1276562334 /nfs/dbraw/zinc/56/23/34/1276562334.db2.gz RWNLPBHBMYSZFB-HUUCEWRRSA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+](C)C ZINC001578992122 1276565780 /nfs/dbraw/zinc/56/57/80/1276565780.db2.gz MYLAFCCIXGFLLV-HZPDHXFCSA-N 2 0 357.462 0.678 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccsc2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001578992124 1276566156 /nfs/dbraw/zinc/56/61/56/1276566156.db2.gz MZDZMJBKKHMLJC-VXGBXAGGSA-N 2 0 363.491 0.740 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578991800 1276566185 /nfs/dbraw/zinc/56/61/85/1276566185.db2.gz ZQGJFEVCNORRRD-HDJSIYSDSA-N 2 0 372.477 0.865 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579003729 1276575774 /nfs/dbraw/zinc/57/57/74/1276575774.db2.gz DHYIKOJUHOSUEY-ZDUSSCGKSA-N 2 0 370.461 0.428 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001579021264 1276599169 /nfs/dbraw/zinc/59/91/69/1276599169.db2.gz LJDQCBXQSLYUOC-CABCVRRESA-N 2 0 359.478 0.702 20 0 FCADRP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579021644 1276599965 /nfs/dbraw/zinc/59/99/65/1276599965.db2.gz NVMKICKHHBBMBM-MRXNPFEDSA-N 2 0 359.478 0.846 20 0 FCADRP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579126881 1276806403 /nfs/dbraw/zinc/80/64/03/1276806403.db2.gz GXHNNASSQYXFLS-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579133560 1276831286 /nfs/dbraw/zinc/83/12/86/1276831286.db2.gz YOPVJKCLSPKTDS-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001579133562 1276832644 /nfs/dbraw/zinc/83/26/44/1276832644.db2.gz YOPVJKCLSPKTDS-MRXNPFEDSA-N 2 0 357.462 0.851 20 0 FCADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579133646 1276835157 /nfs/dbraw/zinc/83/51/57/1276835157.db2.gz ZQEFPFRQQQQVRW-INIZCTEOSA-N 2 0 357.462 0.709 20 0 FCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322743 1277137059 /nfs/dbraw/zinc/13/70/59/1277137059.db2.gz GKLBBTPTHWPJJB-SJORKVTESA-N 2 0 369.473 0.851 20 0 FCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322742 1277137266 /nfs/dbraw/zinc/13/72/66/1277137266.db2.gz GKLBBTPTHWPJJB-IRXDYDNUSA-N 2 0 369.473 0.851 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579323178 1277139235 /nfs/dbraw/zinc/13/92/35/1277139235.db2.gz QZDFIURVTJSRCL-QQFBHYJXSA-N 2 0 369.473 0.897 20 0 FCADRP CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325279 1277141644 /nfs/dbraw/zinc/14/16/44/1277141644.db2.gz GYNOKLLFYGSRJY-KGLIPLIRSA-N 2 0 370.461 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325464 1277148129 /nfs/dbraw/zinc/14/81/29/1277148129.db2.gz CWQBBQUNPWPODO-KBPBESRZSA-N 2 0 373.436 0.648 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326580 1277149761 /nfs/dbraw/zinc/14/97/61/1277149761.db2.gz PQIAQFMQWUTYBD-SJORKVTESA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326824 1277151841 /nfs/dbraw/zinc/15/18/41/1277151841.db2.gz MUYAKKOZHLDLQR-WBVHZDCISA-N 2 0 369.473 0.757 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327199 1277153379 /nfs/dbraw/zinc/15/33/79/1277153379.db2.gz QCQPCXKFFXEJNZ-IRXDYDNUSA-N 2 0 369.473 0.851 20 0 FCADRP CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327337 1277154159 /nfs/dbraw/zinc/15/41/59/1277154159.db2.gz QWXOBELQOJGMQR-KGLIPLIRSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327743 1277155851 /nfs/dbraw/zinc/15/58/51/1277155851.db2.gz XAZKLGMPKVEPRA-CHWSQXEVSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327898 1277157648 /nfs/dbraw/zinc/15/76/48/1277157648.db2.gz YKFFTTQOYOVANM-JKSUJKDBSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001579331259 1277159959 /nfs/dbraw/zinc/15/99/59/1277159959.db2.gz BQXFYFFNZFRMKI-MRXNPFEDSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333863 1277168773 /nfs/dbraw/zinc/16/87/73/1277168773.db2.gz SNAVQMYJUXHRFK-VQIMIIECSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333734 1277169284 /nfs/dbraw/zinc/16/92/84/1277169284.db2.gz SNJAXOHZDYTLDV-IAGOWNOFSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579334485 1277170240 /nfs/dbraw/zinc/17/02/40/1277170240.db2.gz YADKAPYIXRDWHR-INIZCTEOSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579335877 1277176701 /nfs/dbraw/zinc/17/67/01/1277176701.db2.gz WGGIBXMXXPTQDN-UHFFFAOYSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579340401 1277185618 /nfs/dbraw/zinc/18/56/18/1277185618.db2.gz WWMFELWGHIDNFM-SIXLDLHFSA-N 2 0 367.457 0.365 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339974 1277185947 /nfs/dbraw/zinc/18/59/47/1277185947.db2.gz OTJFDPLCDXACDK-BZUAXINKSA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340957 1277186714 /nfs/dbraw/zinc/18/67/14/1277186714.db2.gz DIJSJPJCMAMFRT-UONOGXRCSA-N 2 0 370.461 0.286 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001579344245 1277193727 /nfs/dbraw/zinc/19/37/27/1277193727.db2.gz PNUXLFKMUCYWPL-DZGCQCFKSA-N 2 0 356.492 0.497 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357011 1277224015 /nfs/dbraw/zinc/22/40/15/1277224015.db2.gz SJIOUQYVKAFXOS-ZBFHGGJFSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001579358571 1277226844 /nfs/dbraw/zinc/22/68/44/1277226844.db2.gz GJSVQBJKZQRXKF-HNNXBMFYSA-N 2 0 373.436 0.838 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579358432 1277227708 /nfs/dbraw/zinc/22/77/08/1277227708.db2.gz DNPNNORJFQJPIV-HNNXBMFYSA-N 2 0 355.446 0.699 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359893 1277233678 /nfs/dbraw/zinc/23/36/78/1277233678.db2.gz DFRMBKQVQFJKEL-XHSDSOJGSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579362104 1277238351 /nfs/dbraw/zinc/23/83/51/1277238351.db2.gz QBJVVSAZAUSQGU-LOWVWBTDSA-N 2 0 361.475 0.759 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579363163 1277240826 /nfs/dbraw/zinc/24/08/26/1277240826.db2.gz WMKRRXDAWYMWCT-UAGQMJEPSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579370116 1277252751 /nfs/dbraw/zinc/25/27/51/1277252751.db2.gz TUSGPEHPTLGVQX-SWLSCSKDSA-N 2 0 356.434 0.038 20 0 FCADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646671 1277714513 /nfs/dbraw/zinc/71/45/13/1277714513.db2.gz OWWHJBWLBPHHJV-MSOLQXFVSA-N 2 0 357.502 0.994 20 0 FCADRP Cn1cccc1-c1nnc(N2CC[C@@H]([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001579973795 1277982407 /nfs/dbraw/zinc/98/24/07/1277982407.db2.gz DAFREZSLEZLWTC-CQSZACIVSA-N 2 0 361.519 0.870 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089129 1278003644 /nfs/dbraw/zinc/00/36/44/1278003644.db2.gz LBICLJLDKXZBKG-DLBZAZTESA-N 2 0 356.470 0.610 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089132 1278004119 /nfs/dbraw/zinc/00/41/19/1278004119.db2.gz LBICLJLDKXZBKG-SJORKVTESA-N 2 0 356.470 0.610 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC001580258854 1278057999 /nfs/dbraw/zinc/05/79/99/1278057999.db2.gz ZWYUGYYIFJOFMK-GJZGRUSLSA-N 2 0 351.495 0.629 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580270824 1278063840 /nfs/dbraw/zinc/06/38/40/1278063840.db2.gz GJNXSMVCRPRARV-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001580280052 1278078930 /nfs/dbraw/zinc/07/89/30/1278078930.db2.gz TYUYCMBIHPXUHK-ZDUSSCGKSA-N 2 0 357.462 0.945 20 0 FCADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC001580857871 1279054267 /nfs/dbraw/zinc/05/42/67/1279054267.db2.gz ADONYCHRAWAMCS-JJXSEGSLSA-N 2 0 353.463 0.300 20 0 FCADRP Cc1cc(N2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967922 1279169035 /nfs/dbraw/zinc/16/90/35/1279169035.db2.gz CGBAFKOQQJYECP-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970602 1279171373 /nfs/dbraw/zinc/17/13/73/1279171373.db2.gz SQJFVKUIPNGUGG-ZIAGYGMSSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974591 1279174304 /nfs/dbraw/zinc/17/43/04/1279174304.db2.gz LSZALAXJQYVVEK-KBPBESRZSA-N 2 0 370.461 0.700 20 0 FCADRP Cc1cc(N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976082 1279176282 /nfs/dbraw/zinc/17/62/82/1279176282.db2.gz RSBBAHTVHCTWLH-TZMCWYRMSA-N 2 0 372.477 0.710 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988322 1279188300 /nfs/dbraw/zinc/18/83/00/1279188300.db2.gz IQPZOFYKGSKOTQ-STQMWFEESA-N 2 0 360.466 0.637 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989526 1279189890 /nfs/dbraw/zinc/18/98/90/1279189890.db2.gz OFENJXMXBTZVPW-CHWSQXEVSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991634 1279194728 /nfs/dbraw/zinc/19/47/28/1279194728.db2.gz RZDYNNYZDDGQFV-ZDUSSCGKSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994041 1279200337 /nfs/dbraw/zinc/20/03/37/1279200337.db2.gz KKNMIARLMRKRNR-DOMZBBRYSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994042 1279200624 /nfs/dbraw/zinc/20/06/24/1279200624.db2.gz KKNMIARLMRKRNR-IUODEOHRSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994987 1279203320 /nfs/dbraw/zinc/20/33/20/1279203320.db2.gz VEXYASVSBXWYPE-KBPBESRZSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994991 1279203777 /nfs/dbraw/zinc/20/37/77/1279203777.db2.gz VFQDDMYGEIQGSK-BBRMVZONSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003527 1279220693 /nfs/dbraw/zinc/22/06/93/1279220693.db2.gz DLNZTXOUOSOXJW-XJKSGUPXSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006949 1279227095 /nfs/dbraw/zinc/22/70/95/1279227095.db2.gz YLVZETJNJWDIMH-TZMCWYRMSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008548 1279232970 /nfs/dbraw/zinc/23/29/70/1279232970.db2.gz LPAAQSWMGKQQBK-BLLLJJGKSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NC[C@H](C2CC2)N(C)C(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011094 1279237410 /nfs/dbraw/zinc/23/74/10/1279237410.db2.gz CHZALYXEUJYDQH-MRXNPFEDSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018956 1279250155 /nfs/dbraw/zinc/25/01/55/1279250155.db2.gz HWAMPWQRCGTNHR-ZUEPYMLJSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030288 1279266084 /nfs/dbraw/zinc/26/60/84/1279266084.db2.gz SGBJJOQBWGTQLT-CHWSQXEVSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581029894 1279266531 /nfs/dbraw/zinc/26/65/31/1279266531.db2.gz CTWGJIBMSDRBOH-CYBMUJFWSA-N 2 0 370.461 0.537 20 0 FCADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001716695085 1287387297 /nfs/dbraw/zinc/38/72/97/1287387297.db2.gz JUZYAXNVADINEJ-SJORKVTESA-N 2 0 358.486 0.658 20 0 FCADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603608167 1287439094 /nfs/dbraw/zinc/43/90/94/1287439094.db2.gz MEGSGGCZUFDOCS-STQMWFEESA-N 2 0 372.477 0.863 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582097732 1281051784 /nfs/dbraw/zinc/05/17/84/1281051784.db2.gz LRAIGJJFUJICHX-ZDUSSCGKSA-N 2 0 356.434 0.040 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582098007 1281053429 /nfs/dbraw/zinc/05/34/29/1281053429.db2.gz XVBCBENVHUFVNM-INIZCTEOSA-N 2 0 355.446 0.653 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001584689219 1282165426 /nfs/dbraw/zinc/16/54/26/1282165426.db2.gz AKYUMOQEVQNYEK-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001585001782 1282191837 /nfs/dbraw/zinc/19/18/37/1282191837.db2.gz JMFOYEWICPALLG-RBSFLKMASA-N 2 0 356.486 0.772 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001642835575 1283044877 /nfs/dbraw/zinc/04/48/77/1283044877.db2.gz CISQRIVZXRBYFP-GOSISDBHSA-N 2 0 358.486 0.952 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001589815450 1283048384 /nfs/dbraw/zinc/04/83/84/1283048384.db2.gz TULDSEZRMSWROI-CYBMUJFWSA-N 2 0 372.477 0.722 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589816297 1283049894 /nfs/dbraw/zinc/04/98/94/1283049894.db2.gz ZLTGCZALZPEEBX-CYBMUJFWSA-N 2 0 360.466 0.721 20 0 FCADRP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001589827712 1283066389 /nfs/dbraw/zinc/06/63/89/1283066389.db2.gz CPWXDMYTJLPDOR-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589828314 1283067095 /nfs/dbraw/zinc/06/70/95/1283067095.db2.gz OJRKDCKSMPAROH-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1N(C)C)CN1CC[NH+](C)CC1 ZINC001589870311 1283104125 /nfs/dbraw/zinc/10/41/25/1283104125.db2.gz JWMRDYZNYBQVRU-OAHLLOKOSA-N 2 0 372.521 0.906 20 0 FCADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956963 1283146783 /nfs/dbraw/zinc/14/67/83/1283146783.db2.gz FBVSJYWQMSTBKJ-CJNGLKHVSA-N 2 0 358.446 0.846 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590109891 1283221958 /nfs/dbraw/zinc/22/19/58/1283221958.db2.gz SPCISCOATNQBKG-MRXNPFEDSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001590271215 1283399249 /nfs/dbraw/zinc/39/92/49/1283399249.db2.gz VNCGVTOTMIRNHF-CWRNSKLLSA-N 2 0 369.473 0.945 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590456666 1283549511 /nfs/dbraw/zinc/54/95/11/1283549511.db2.gz NTBJWLFZLNKCRC-INIZCTEOSA-N 2 0 372.477 0.821 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001683325790 1283943301 /nfs/dbraw/zinc/94/33/01/1283943301.db2.gz VYTOBORPPAWOHS-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[N@H+](CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001591038638 1284100996 /nfs/dbraw/zinc/10/09/96/1284100996.db2.gz HMBTWXUIUGFIGG-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591069030 1284129145 /nfs/dbraw/zinc/12/91/45/1284129145.db2.gz DJBSMJGSSNANIV-UHFFFAOYSA-N 2 0 369.473 0.901 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591176327 1284269726 /nfs/dbraw/zinc/26/97/26/1284269726.db2.gz NTMFOIHODGOJKA-RWMBFGLXSA-N 2 0 356.434 0.085 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176260 1284271749 /nfs/dbraw/zinc/27/17/49/1284271749.db2.gz MLIHRNZFAUEQKO-RXYHWBRQSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591177831 1284275556 /nfs/dbraw/zinc/27/55/56/1284275556.db2.gz OEUINLBFXHKUJO-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001591562263 1284735545 /nfs/dbraw/zinc/73/55/45/1284735545.db2.gz WTCVRTRNXSEGIK-ZDUSSCGKSA-N 2 0 373.461 0.423 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)[NH+](C)C ZINC001719104847 1287739987 /nfs/dbraw/zinc/73/99/87/1287739987.db2.gz QQVHXOIZXJJBGS-JFIYKMOQSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996665 1285049376 /nfs/dbraw/zinc/04/93/76/1285049376.db2.gz ZVZVPZTZYLCJTD-ZDUSSCGKSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996664 1285050089 /nfs/dbraw/zinc/05/00/89/1285050089.db2.gz ZVZVPZTZYLCJTD-CYBMUJFWSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(NC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046701 1285088601 /nfs/dbraw/zinc/08/86/01/1285088601.db2.gz MQAIHNBFRFCELI-RDFMZFSFSA-N 2 0 370.461 0.418 20 0 FCADRP Cc1cc(NCCNC(=O)CC2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049556 1285095288 /nfs/dbraw/zinc/09/52/88/1285095288.db2.gz YRYWFVRNTLGLFH-UHFFFAOYSA-N 2 0 358.450 0.252 20 0 FCADRP CN(CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604765430 1287770708 /nfs/dbraw/zinc/77/07/08/1287770708.db2.gz IAFXJPCLPHFCGN-ZIAGYGMSSA-N 2 0 372.477 0.935 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001702472560 1285691092 /nfs/dbraw/zinc/69/10/92/1285691092.db2.gz DWIWMYZYMQPLEA-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001702472562 1285691118 /nfs/dbraw/zinc/69/11/18/1285691118.db2.gz DWIWMYZYMQPLEA-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC001593413096 1286135108 /nfs/dbraw/zinc/13/51/08/1286135108.db2.gz IMSARXISPDKYLP-GXTWGEPZSA-N 2 0 359.390 0.217 20 0 FCADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505706 1286185185 /nfs/dbraw/zinc/18/51/85/1286185185.db2.gz PBGYOVYAAPDFMB-UKRRQHHQSA-N 2 0 358.446 0.680 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001707125817 1286461228 /nfs/dbraw/zinc/46/12/28/1286461228.db2.gz ANEWRLHAOTZJBC-HYVNUMGLSA-N 2 0 363.506 0.681 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001710273144 1287169440 /nfs/dbraw/zinc/16/94/40/1287169440.db2.gz VELSYUVOEQPPKZ-HUUCEWRRSA-N 2 0 365.526 0.897 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001710273135 1287169960 /nfs/dbraw/zinc/16/99/60/1287169960.db2.gz VELSYUVOEQPPKZ-CABCVRRESA-N 2 0 365.526 0.897 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001604854361 1287799752 /nfs/dbraw/zinc/79/97/52/1287799752.db2.gz LXFXXOMKEDHVCY-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001604854729 1287799855 /nfs/dbraw/zinc/79/98/55/1287799855.db2.gz UCBFQUSALRVFCK-MGPQQGTHSA-N 2 0 370.461 0.332 20 0 FCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001604962172 1287820707 /nfs/dbraw/zinc/82/07/07/1287820707.db2.gz JIXWQGITKZEGKS-BORJPKMPSA-N 2 0 372.429 0.112 20 0 FCADRP Cc1cc(N(C)CCNC(=O)CC[NH+]2CCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687889 1288051896 /nfs/dbraw/zinc/05/18/96/1288051896.db2.gz CENREDZQSGPTRI-UHFFFAOYSA-N 2 0 372.477 0.999 20 0 FCADRP CCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001727529434 1288515305 /nfs/dbraw/zinc/51/53/05/1288515305.db2.gz LERDRXHLTLUGDN-MPGHIAIKSA-N 2 0 350.511 0.826 20 0 FCADRP CCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001727529437 1288515504 /nfs/dbraw/zinc/51/55/04/1288515504.db2.gz LERDRXHLTLUGDN-RLFYNMQTSA-N 2 0 350.511 0.826 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001607054387 1288625698 /nfs/dbraw/zinc/62/56/98/1288625698.db2.gz ARWAGWCWUYBQIZ-QLFBSQMISA-N 2 0 355.402 0.234 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001607096082 1288659385 /nfs/dbraw/zinc/65/93/85/1288659385.db2.gz AANRYCPENLNRHE-SJORKVTESA-N 2 0 372.473 0.928 20 0 FCADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104867 1288663792 /nfs/dbraw/zinc/66/37/92/1288663792.db2.gz RYGANCDULCIZQH-IAGOWNOFSA-N 2 0 360.462 0.727 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O)C1CCC1 ZINC001735755525 1288858641 /nfs/dbraw/zinc/85/86/41/1288858641.db2.gz YRYSPAMWCOUODI-IAGOWNOFSA-N 2 0 371.441 0.120 20 0 FCADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172959 1288965378 /nfs/dbraw/zinc/96/53/78/1288965378.db2.gz HJRZODDPMLVJQZ-YOEHRIQHSA-N 2 0 360.462 0.991 20 0 FCADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609227816 1288999084 /nfs/dbraw/zinc/99/90/84/1288999084.db2.gz OPCBBQZUGXUEPZ-MRXNPFEDSA-N 2 0 360.462 0.928 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCn1cncn1 ZINC001692017951 1289365692 /nfs/dbraw/zinc/36/56/92/1289365692.db2.gz DYSBAPCCGZIJRX-DLBZAZTESA-N 2 0 364.494 0.358 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001692042454 1289375508 /nfs/dbraw/zinc/37/55/08/1289375508.db2.gz VDBKLLGJCYSDGK-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001692080521 1289385975 /nfs/dbraw/zinc/38/59/75/1289385975.db2.gz GFOWTSOWCGEMPZ-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001692092503 1289397958 /nfs/dbraw/zinc/39/79/58/1289397958.db2.gz SAYXBDWOBGWBTO-CABCVRRESA-N 2 0 369.510 0.391 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001692215279 1289429779 /nfs/dbraw/zinc/42/97/79/1289429779.db2.gz WCCDMWIUDWSNRG-BHYGNILZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001692281022 1289440592 /nfs/dbraw/zinc/44/05/92/1289440592.db2.gz OLGBVFDKAQCJHA-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3cccnc3)CC2)CC[N@@H+]1C ZINC001699651172 1289559746 /nfs/dbraw/zinc/55/97/46/1289559746.db2.gz MJQBCRJNOSTDKB-GDBMZVCRSA-N 2 0 359.474 0.276 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001737801817 1289588690 /nfs/dbraw/zinc/58/86/90/1289588690.db2.gz IAWRHUPZPJAQGQ-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](CC)CC ZINC001702189969 1289824318 /nfs/dbraw/zinc/82/43/18/1289824318.db2.gz GWORVQZHDBGYMI-BRWVUGGUSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(CC(=O)OC)nn1 ZINC001621311785 1290032211 /nfs/dbraw/zinc/03/22/11/1290032211.db2.gz UXBXNFBFTUZHQF-MRXNPFEDSA-N 2 0 352.483 0.299 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C[C@@H]1O ZINC001739663079 1290326999 /nfs/dbraw/zinc/32/69/99/1290326999.db2.gz CUNKEPQUKFHJGN-IKGGRYGDSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001741847665 1290561294 /nfs/dbraw/zinc/56/12/94/1290561294.db2.gz PQMHYDLUSAKHHZ-GJZGRUSLSA-N 2 0 363.510 0.710 20 0 FCADRP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001754952120 1290638668 /nfs/dbraw/zinc/63/86/68/1290638668.db2.gz RQNBZQBAODJOMG-AIEDFZFUSA-N 2 0 367.494 0.175 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCN1C(=O)CC[NH+](C)C ZINC001757531541 1290783140 /nfs/dbraw/zinc/78/31/40/1290783140.db2.gz VSAIKEKZRQKCTR-ZBFHGGJFSA-N 2 0 370.457 0.938 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001652176716 1291266636 /nfs/dbraw/zinc/26/66/36/1291266636.db2.gz IFWUQGVWAPAAAD-QGZVFWFLSA-N 2 0 359.536 0.845 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)OCc1ccccc1 ZINC001654334800 1291407196 /nfs/dbraw/zinc/40/71/96/1291407196.db2.gz BYROBVRRVWFELV-UHFFFAOYSA-N 2 0 350.463 0.865 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC001655541204 1291473575 /nfs/dbraw/zinc/47/35/75/1291473575.db2.gz GNVWYPKXQARUOP-GFCCVEGCSA-N 2 0 360.911 0.713 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC3CCOCC3)C2)CC[N@@H+]1C ZINC001661427134 1291693847 /nfs/dbraw/zinc/69/38/47/1291693847.db2.gz QLGPJOTYZYPALI-MAPUTHEBSA-N 2 0 369.506 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COC3CCOCC3)C2)CC[N@@H+]1C ZINC001661427135 1291694359 /nfs/dbraw/zinc/69/43/59/1291694359.db2.gz QLGPJOTYZYPALI-XSDHEKCYSA-N 2 0 369.506 0.120 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001688333362 1294480545 /nfs/dbraw/zinc/48/05/45/1294480545.db2.gz GGYALLIJPKIOLU-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001688612887 1294512540 /nfs/dbraw/zinc/51/25/40/1294512540.db2.gz LSQPMRXKBNNQCG-HYVNUMGLSA-N 2 0 366.506 0.012 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]C[C@@H]2CCCCO2)cn1 ZINC001689034282 1294580662 /nfs/dbraw/zinc/58/06/62/1294580662.db2.gz QWVYVDNZZJZLQH-OKZBNKHCSA-N 2 0 363.506 0.825 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1OCC ZINC001689074595 1294595891 /nfs/dbraw/zinc/59/58/91/1294595891.db2.gz JHXXUWPRYHWRRI-MDZRGWNJSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689098403 1294615154 /nfs/dbraw/zinc/61/51/54/1294615154.db2.gz LOTHKHIMVXLLKR-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001689106537 1294620062 /nfs/dbraw/zinc/62/00/62/1294620062.db2.gz KFOSXPQDENMXQK-RDBSUJKOSA-N 2 0 355.483 0.128 20 0 FCADRP C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001689133143 1294621663 /nfs/dbraw/zinc/62/16/63/1294621663.db2.gz QHVKPVJHLJOWNS-NVXWUHKLSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001689135101 1294622666 /nfs/dbraw/zinc/62/26/66/1294622666.db2.gz WHAJKABFIAMOAC-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC(=O)NCC)[C@@H]1CC ZINC001689194043 1294662370 /nfs/dbraw/zinc/66/23/70/1294662370.db2.gz MSBJPSDEZSXMEW-UONOGXRCSA-N 2 0 355.483 0.143 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001689236544 1294696805 /nfs/dbraw/zinc/69/68/05/1294696805.db2.gz JFLLVGVFRICNQT-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1CCOCC(F)(F)F ZINC001689284704 1294713283 /nfs/dbraw/zinc/71/32/83/1294713283.db2.gz GJHQPFCVVXSHRD-AGIUHOORSA-N 2 0 353.385 0.475 20 0 FCADRP O=C(NCC[NH2+]CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001690657643 1294878379 /nfs/dbraw/zinc/87/83/79/1294878379.db2.gz SAJDJJRFRIFGIX-ARFHVFGLSA-N 2 0 359.474 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCNC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001690943842 1294894067 /nfs/dbraw/zinc/89/40/67/1294894067.db2.gz WNPMJMURVMDHPS-LSDHHAIUSA-N 2 0 355.527 0.862 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001691781583 1294921958 /nfs/dbraw/zinc/92/19/58/1294921958.db2.gz XGCNYAWTPQZLFW-HZPDHXFCSA-N 2 0 351.495 0.713 20 0 FCADRP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739093 720633035 /nfs/dbraw/zinc/63/30/35/720633035.db2.gz DYHDSTZJTBWROL-JKSUJKDBSA-N 2 0 352.442 0.859 20 0 FCADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866886 721060379 /nfs/dbraw/zinc/06/03/79/721060379.db2.gz GPJLXDKTLNTTKN-MSOLQXFVSA-N 2 0 366.469 0.997 20 0 FCADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164867991 721064944 /nfs/dbraw/zinc/06/49/44/721064944.db2.gz LVFWTQQJFGJZOC-DLBZAZTESA-N 2 0 366.469 0.997 20 0 FCADRP c1cncc(CO[C@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866620 721112256 /nfs/dbraw/zinc/11/22/56/721112256.db2.gz UGOSRUDTKNCJEV-ROUUACIJSA-N 2 0 366.469 0.997 20 0 FCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883619 721400646 /nfs/dbraw/zinc/40/06/46/721400646.db2.gz BGAJPIIEHGNGMQ-PKOBYXMFSA-N 2 0 360.506 0.701 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164922955 721848293 /nfs/dbraw/zinc/84/82/93/721848293.db2.gz SPLPXLANMNVOFV-GJZGRUSLSA-N 2 0 350.898 0.990 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001067463400 837459630 /nfs/dbraw/zinc/45/96/30/837459630.db2.gz DEXPYVWUFIYSEU-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070223899 837635996 /nfs/dbraw/zinc/63/59/96/837635996.db2.gz CHRPJAJAPICXEB-PMPSAXMXSA-N 2 0 352.458 0.710 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209051 837634088 /nfs/dbraw/zinc/63/40/88/837634088.db2.gz KLDBZLVGEVKNJB-OAGGEKHMSA-N 2 0 352.458 0.852 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001070382525 837651337 /nfs/dbraw/zinc/65/13/37/837651337.db2.gz DOEDKTFPBJAZFW-APWZRJJASA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001071016412 837711631 /nfs/dbraw/zinc/71/16/31/837711631.db2.gz MLHQCYXRMXNWHK-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071056916 837720350 /nfs/dbraw/zinc/72/03/50/837720350.db2.gz SLQLEPCWWIHHPM-KSZLIROESA-N 2 0 351.491 0.306 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071063190 837723103 /nfs/dbraw/zinc/72/31/03/837723103.db2.gz JAOJTZAVMABNGH-LMMKCTJWSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)C12CCC[NH+]1CCC2 ZINC001071068898 837723760 /nfs/dbraw/zinc/72/37/60/837723760.db2.gz OUVFPPBZFWVXDY-SJORKVTESA-N 2 0 351.491 0.593 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCS(=O)(=O)C2)C3)CC[N@@H+]1C ZINC001072751799 837743004 /nfs/dbraw/zinc/74/30/04/837743004.db2.gz FCDKIMMTEGKFFM-OWCLPIDISA-N 2 0 369.531 0.296 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001100343368 844051740 /nfs/dbraw/zinc/05/17/40/844051740.db2.gz COOCIKCFBWMXQG-PRLABOORSA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249202480 836026090 /nfs/dbraw/zinc/02/60/90/836026090.db2.gz AHDBKXCERXAOMJ-YRXWBPOGSA-N 2 0 356.555 0.150 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268428 844126786 /nfs/dbraw/zinc/12/67/86/844126786.db2.gz AKXSMHPHPFIECN-BEFAXECRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284872 844134561 /nfs/dbraw/zinc/13/45/61/844134561.db2.gz CUPMMMWSOYCTKK-CLCXKQKWSA-N 2 0 350.507 0.728 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285289 844134742 /nfs/dbraw/zinc/13/47/42/844134742.db2.gz WWCSXOOYXXMRGN-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000748157578 836288576 /nfs/dbraw/zinc/28/85/76/836288576.db2.gz PAFDTVFKQAHBNJ-UHFFFAOYSA-N 3 0 350.536 0.619 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101345022 844153139 /nfs/dbraw/zinc/15/31/39/844153139.db2.gz PQOGCOAYRFFHEU-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368819 844163145 /nfs/dbraw/zinc/16/31/45/844163145.db2.gz PEGPFBDDMOCMGR-CLCXKQKWSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101365948 844161691 /nfs/dbraw/zinc/16/16/91/844161691.db2.gz RYFQUFDQUNZWEX-GJYPPUQNSA-N 2 0 352.523 0.974 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC)C[C@@]2(C)C1)C(C)C ZINC001101396597 844173872 /nfs/dbraw/zinc/17/38/72/844173872.db2.gz BAFSQGVXDCRDNW-SUMDDJOVSA-N 2 0 352.523 0.879 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CCC([NH2+]CCO)CC2)CC1 ZINC001026495525 836593979 /nfs/dbraw/zinc/59/39/79/836593979.db2.gz HFWYZFSOJVHVDL-HIEASXQVSA-N 2 0 353.507 0.743 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCOC3CCC3)C[C@@]2(C)C1 ZINC001101432749 844185633 /nfs/dbraw/zinc/18/56/33/844185633.db2.gz YOCVUIBXCYBEKP-APWZRJJASA-N 2 0 353.507 0.914 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459610 844193481 /nfs/dbraw/zinc/19/34/81/844193481.db2.gz LLIFNMBYEREREE-KHYOSLBOSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063099822 836750477 /nfs/dbraw/zinc/75/04/77/836750477.db2.gz BJSWYHUSBNBXJP-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063228978 836758715 /nfs/dbraw/zinc/75/87/15/836758715.db2.gz RNLHTJLCHGDROY-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCC2)CC[N@@H+]1C ZINC001063228977 836759268 /nfs/dbraw/zinc/75/92/68/836759268.db2.gz RNLHTJLCHGDROY-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478594 844203331 /nfs/dbraw/zinc/20/33/31/844203331.db2.gz WACFVHOZCAOYAP-MDZRGWNJSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478465 844203689 /nfs/dbraw/zinc/20/36/89/844203689.db2.gz PEABISZZNIBRIJ-APWZRJJASA-N 2 0 352.523 0.879 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065614760 836844733 /nfs/dbraw/zinc/84/47/33/836844733.db2.gz XMBBFFZUPHAJRR-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819711 844281364 /nfs/dbraw/zinc/28/13/64/844281364.db2.gz RDRJLMVRVYONHN-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605784 838027826 /nfs/dbraw/zinc/02/78/26/838027826.db2.gz SRFGUIMDGAPJQL-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299418 838887522 /nfs/dbraw/zinc/88/75/22/838887522.db2.gz AHXTUYIMQWBERU-GVDBMIGSSA-N 2 0 351.491 0.593 20 0 FCADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077477346 838988798 /nfs/dbraw/zinc/98/87/98/838988798.db2.gz YMYLGZNRXJKMOQ-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040788 844391750 /nfs/dbraw/zinc/39/17/50/844391750.db2.gz WGPPCLVTIPRXBB-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051902 844397612 /nfs/dbraw/zinc/39/76/12/844397612.db2.gz SDDWHSVZEPIZMP-QLFBSQMISA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045947 844394945 /nfs/dbraw/zinc/39/49/45/844394945.db2.gz DJJYKNIRRHAHJB-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048430 844395976 /nfs/dbraw/zinc/39/59/76/844395976.db2.gz AYMSRHUUQONAJA-FVQBIDKESA-N 2 0 359.536 0.445 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102071188 844404710 /nfs/dbraw/zinc/40/47/10/844404710.db2.gz HAGRWAPXLLJEPO-OIISXLGYSA-N 2 0 352.523 0.783 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001077923730 839232052 /nfs/dbraw/zinc/23/20/52/839232052.db2.gz AFLWIZWJSDJLBT-QZTJIDSGSA-N 2 0 353.507 0.695 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006152 839287838 /nfs/dbraw/zinc/28/78/38/839287838.db2.gz UJBIGFYYBCINGF-KZNAEPCWSA-N 2 0 353.507 0.696 20 0 FCADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119338 844422939 /nfs/dbraw/zinc/42/29/39/844422939.db2.gz HFADYIXVRNRLJB-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079310748 839505989 /nfs/dbraw/zinc/50/59/89/839505989.db2.gz HYICNEDLIDWJKE-IMJJTQAJSA-N 2 0 350.438 0.535 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288385 844458393 /nfs/dbraw/zinc/45/83/93/844458393.db2.gz AOKWMJILULKZCS-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102295297 844459424 /nfs/dbraw/zinc/45/94/24/844459424.db2.gz CIKMCGMRBXRKMO-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320574 844466706 /nfs/dbraw/zinc/46/67/06/844466706.db2.gz IWXWXDSIJVIOMK-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001080559012 839746314 /nfs/dbraw/zinc/74/63/14/839746314.db2.gz PSXCZBFZXLOURB-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001080593070 839755784 /nfs/dbraw/zinc/75/57/84/839755784.db2.gz HRUGAHHIEVREHQ-DJIMGWMZSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102368327 844477714 /nfs/dbraw/zinc/47/77/14/844477714.db2.gz PPYMJZKGBHKLNF-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375357 844479475 /nfs/dbraw/zinc/47/94/75/844479475.db2.gz DQZABNSRYCXBCK-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095680 840183445 /nfs/dbraw/zinc/18/34/45/840183445.db2.gz CUBMMIJRSMHILG-BRWVUGGUSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138138 840207872 /nfs/dbraw/zinc/20/78/72/840207872.db2.gz PXIQBSRYIUBGEL-GVDBMIGSSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138325 840208824 /nfs/dbraw/zinc/20/88/24/840208824.db2.gz ZBFOJYUVQMEISI-IAGOWNOFSA-N 2 0 353.507 0.960 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486574 844522127 /nfs/dbraw/zinc/52/21/27/844522127.db2.gz LVCAHDTWAVDOEH-FMKPAKJESA-N 2 0 354.495 0.045 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317880 840296464 /nfs/dbraw/zinc/29/64/64/840296464.db2.gz MIFUKNDZBQSUIE-ZTFGCOKTSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318052 840298021 /nfs/dbraw/zinc/29/80/21/840298021.db2.gz VKVGAEGJSZVLKD-BMGDILEWSA-N 2 0 353.507 0.959 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102492809 844528651 /nfs/dbraw/zinc/52/86/51/844528651.db2.gz HNAOYLUIRVMPPR-NXHRZFHOSA-N 2 0 355.523 0.798 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082507413 840441440 /nfs/dbraw/zinc/44/14/40/840441440.db2.gz PQZQZYJWKAAQCM-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513583 844545034 /nfs/dbraw/zinc/54/50/34/844545034.db2.gz RONHCKAGOMCDNY-HUUCEWRRSA-N 2 0 371.913 0.799 20 0 FCADRP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515088 844546517 /nfs/dbraw/zinc/54/65/17/844546517.db2.gz CJDQPFSFGKEDIW-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082719439 840535468 /nfs/dbraw/zinc/53/54/68/840535468.db2.gz JXANITWZYVVDGP-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082720215 840536766 /nfs/dbraw/zinc/53/67/66/840536766.db2.gz LVBLPVBPVWGJII-HYVNUMGLSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082782477 840557844 /nfs/dbraw/zinc/55/78/44/840557844.db2.gz AKFJOOOPQZAFIM-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102524031 844551605 /nfs/dbraw/zinc/55/16/05/844551605.db2.gz BXOAHYACNNPMDG-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082822023 840574323 /nfs/dbraw/zinc/57/43/23/840574323.db2.gz DWWNFGBGHZONSS-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001082835586 840579805 /nfs/dbraw/zinc/57/98/05/840579805.db2.gz JLQRNMRXEVGGBZ-HYVNUMGLSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082941803 840615515 /nfs/dbraw/zinc/61/55/15/840615515.db2.gz MUJAOTODEWFZTI-IXDOHACOSA-N 2 0 371.547 0.734 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21)C1CCC1 ZINC001083106734 840715614 /nfs/dbraw/zinc/71/56/14/840715614.db2.gz SOFGPEYKTKOLCC-ZWKOTPCHSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)C1=O ZINC001102579081 844572667 /nfs/dbraw/zinc/57/26/67/844572667.db2.gz HMFAINUVKDJXJV-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579204 844572742 /nfs/dbraw/zinc/57/27/42/844572742.db2.gz NESJFABOLSRBLY-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083524040 841122976 /nfs/dbraw/zinc/12/29/76/841122976.db2.gz FDRDJHDDTRPZBU-NXHRZFHOSA-N 2 0 353.507 0.980 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083695985 841324325 /nfs/dbraw/zinc/32/43/25/841324325.db2.gz DFWBUAZDHDLHHT-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696113 841327007 /nfs/dbraw/zinc/32/70/07/841327007.db2.gz JWFSUYQZRSCDBD-ZACQAIPSSA-N 2 0 353.507 0.981 20 0 FCADRP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275799743 861195741 /nfs/dbraw/zinc/19/57/41/861195741.db2.gz MZBLUNZGFIRFCS-CQSZACIVSA-N 2 0 350.488 0.552 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958831 841603775 /nfs/dbraw/zinc/60/37/75/841603775.db2.gz YCXQQIFDSBNKBF-ZACQAIPSSA-N 2 0 351.491 0.185 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083961713 841605934 /nfs/dbraw/zinc/60/59/34/841605934.db2.gz GWVBDWRFGHYPQK-HIFRSBDPSA-N 2 0 354.401 0.968 20 0 FCADRP COCCCN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275879870 861242643 /nfs/dbraw/zinc/24/26/43/861242643.db2.gz QMFPPDKCAOONOO-PKOBYXMFSA-N 2 0 353.507 0.916 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880104 861245479 /nfs/dbraw/zinc/24/54/79/861245479.db2.gz UCALFPXVDUJWKF-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275880805 861245928 /nfs/dbraw/zinc/24/59/28/861245928.db2.gz WNANLWLAEIUCRN-IBGZPJMESA-N 3 0 352.523 0.583 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085245933 842055435 /nfs/dbraw/zinc/05/54/35/842055435.db2.gz UXSQYACYRJHHRW-BZUAXINKSA-N 2 0 351.495 0.513 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001085319783 842076494 /nfs/dbraw/zinc/07/64/94/842076494.db2.gz OQZQZJFZGRFTMW-DJIMGWMZSA-N 2 0 371.547 0.780 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001085395671 842092110 /nfs/dbraw/zinc/09/21/10/842092110.db2.gz WQAGGJHZBHURIB-ARFHVFGLSA-N 2 0 369.531 0.534 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085394070 842092583 /nfs/dbraw/zinc/09/25/83/842092583.db2.gz UIACRMQLSAZFHU-ARFHVFGLSA-N 2 0 351.495 0.370 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001085421988 842098439 /nfs/dbraw/zinc/09/84/39/842098439.db2.gz DFNLQNVBQVUWOW-GVDBMIGSSA-N 2 0 371.547 0.780 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085423494 842099051 /nfs/dbraw/zinc/09/90/51/842099051.db2.gz SRWAXESOFVEBFM-ARFHVFGLSA-N 2 0 357.520 0.534 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085423386 842099776 /nfs/dbraw/zinc/09/97/76/842099776.db2.gz NJATVGKINSWIGW-IAGOWNOFSA-N 2 0 371.547 0.924 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC001086091020 842119293 /nfs/dbraw/zinc/11/92/93/842119293.db2.gz DMVIASAYEGDYJC-BQJWPVKWSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001086370832 842128760 /nfs/dbraw/zinc/12/87/60/842128760.db2.gz BCUKMQZWOZIZBW-LUKYLMHMSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086712200 842158363 /nfs/dbraw/zinc/15/83/63/842158363.db2.gz VHJJVDMMKPNFMC-BBWFWOEESA-N 2 0 350.507 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087054848 842251394 /nfs/dbraw/zinc/25/13/94/842251394.db2.gz HEMNSTQPSMFZMF-MUIFIZLQSA-N 2 0 350.463 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087055290 842251948 /nfs/dbraw/zinc/25/19/48/842251948.db2.gz DUFFFKBVIZSVCR-RRCSTGOVSA-N 2 0 351.451 0.363 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083751 842275763 /nfs/dbraw/zinc/27/57/63/842275763.db2.gz QUWLORZOYWCATG-SQWLQELKSA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087096766 842286270 /nfs/dbraw/zinc/28/62/70/842286270.db2.gz CGSLLMRHCQFLSV-ZIAGYGMSSA-N 2 0 365.503 0.587 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001087245885 842324244 /nfs/dbraw/zinc/32/42/44/842324244.db2.gz PEXPAPJMZLEQDL-ZACQAIPSSA-N 2 0 371.547 0.734 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087796635 842433357 /nfs/dbraw/zinc/43/33/57/842433357.db2.gz IHZBOXAHRFMKBR-BHYGNILZSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986386 842490925 /nfs/dbraw/zinc/49/09/25/842490925.db2.gz JAVMCCKOOHTIIB-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091783928 843093776 /nfs/dbraw/zinc/09/37/76/843093776.db2.gz KTAIZGNAGDFBAN-MDZRGWNJSA-N 2 0 353.507 0.506 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910420 843122063 /nfs/dbraw/zinc/12/20/63/843122063.db2.gz WZVCKIVUZMODPD-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510761 843225756 /nfs/dbraw/zinc/22/57/56/843225756.db2.gz YSTTUKNWYHCEJX-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093093621 843387559 /nfs/dbraw/zinc/38/75/59/843387559.db2.gz MRYIAJNSUCEIAM-OIISXLGYSA-N 2 0 350.507 0.679 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093093620 843387762 /nfs/dbraw/zinc/38/77/62/843387762.db2.gz MRYIAJNSUCEIAM-DJIMGWMZSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195394 843403970 /nfs/dbraw/zinc/40/39/70/843403970.db2.gz PWRIWYQNVAMQIJ-HYVNUMGLSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093281726 843420860 /nfs/dbraw/zinc/42/08/60/843420860.db2.gz UHIMOASVMVUJTL-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093770485 843467215 /nfs/dbraw/zinc/46/72/15/843467215.db2.gz SEOICAKWPQAKMF-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001093825992 843475765 /nfs/dbraw/zinc/47/57/65/843475765.db2.gz VZXJSOXDJCDOLT-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094012269 843504492 /nfs/dbraw/zinc/50/44/92/843504492.db2.gz JGVJQOHMZMJSPJ-BFYDXBDKSA-N 2 0 371.547 0.447 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1)[NH+](C)C ZINC001094049437 843508490 /nfs/dbraw/zinc/50/84/90/843508490.db2.gz SCZKNOVVGWSWPJ-KFWWJZLASA-N 2 0 351.499 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001094221061 843532587 /nfs/dbraw/zinc/53/25/87/843532587.db2.gz MUXXVMCQJNZPMN-IXDOHACOSA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001094220873 843532924 /nfs/dbraw/zinc/53/29/24/843532924.db2.gz AOEGZLQCMRXTIK-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC001094420389 843551061 /nfs/dbraw/zinc/55/10/61/843551061.db2.gz ZSBQOIUSPPABJQ-YKTARERQSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001094457245 843554806 /nfs/dbraw/zinc/55/48/06/843554806.db2.gz YQNQJJMSZSQREQ-GPMSIDNRSA-N 2 0 350.507 0.953 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503531 843557552 /nfs/dbraw/zinc/55/75/52/843557552.db2.gz IYTYMGDXFKPHQM-VQIMIIECSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001097216144 843854227 /nfs/dbraw/zinc/85/42/27/843854227.db2.gz SBPFGLTVEPBBMY-ZJPYXAASSA-N 2 0 351.491 0.734 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C3)CC1 ZINC001099101327 843962363 /nfs/dbraw/zinc/96/23/63/843962363.db2.gz SYWMMQSTIRKPLZ-ALKREAHSSA-N 2 0 350.507 0.951 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099223020 843978907 /nfs/dbraw/zinc/97/89/07/843978907.db2.gz BYFCFTRZVSCIFP-UPJWGTAASA-N 2 0 360.384 0.351 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993908 844681897 /nfs/dbraw/zinc/68/18/97/844681897.db2.gz IMPBNQCBBHPGJT-DJIMGWMZSA-N 2 0 350.507 0.491 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001103085318 844697657 /nfs/dbraw/zinc/69/76/57/844697657.db2.gz PSFXGKKYWDXCAR-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001103139969 844707158 /nfs/dbraw/zinc/70/71/58/844707158.db2.gz GSVONLMNAOICLR-DJIMGWMZSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268052 844728749 /nfs/dbraw/zinc/72/87/49/844728749.db2.gz OYCMXRUEGLASOU-QGPMSJSTSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308811 844734909 /nfs/dbraw/zinc/73/49/09/844734909.db2.gz IGAPWCLNJADZGQ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374613 844744939 /nfs/dbraw/zinc/74/49/39/844744939.db2.gz LDHLSMZEFVPZEA-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398049 844750653 /nfs/dbraw/zinc/75/06/53/844750653.db2.gz ADHOBGLTBKLQDG-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103433981 844756662 /nfs/dbraw/zinc/75/66/62/844756662.db2.gz QFLFVKYXZVTPPT-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436116 844757859 /nfs/dbraw/zinc/75/78/59/844757859.db2.gz LFOMPKCRCWNMRM-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438707 844758919 /nfs/dbraw/zinc/75/89/19/844758919.db2.gz XVICOPIZIZJQCL-IAGOWNOFSA-N 2 0 355.523 0.801 20 0 FCADRP C[NH+](C)CCCN1CCOC[C@]2(CC(=O)N(CC3CCOCC3)C2)C1 ZINC001276608340 861496029 /nfs/dbraw/zinc/49/60/29/861496029.db2.gz CHOSGJMRGJAYBY-LJQANCHMSA-N 2 0 353.507 0.916 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103550169 844778225 /nfs/dbraw/zinc/77/82/25/844778225.db2.gz CFAUTHHQIFNYEG-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103614446 844787215 /nfs/dbraw/zinc/78/72/15/844787215.db2.gz NZNAAWAUMCNAGT-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642992 844793687 /nfs/dbraw/zinc/79/36/87/844793687.db2.gz CUOGFOZFPBTEBI-IAGOWNOFSA-N 2 0 351.495 0.536 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646846 844795049 /nfs/dbraw/zinc/79/50/49/844795049.db2.gz IFUIKSPSWXNKRV-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753381 844816265 /nfs/dbraw/zinc/81/62/65/844816265.db2.gz FUBQQRVXMVULQE-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629930 861505244 /nfs/dbraw/zinc/50/52/44/861505244.db2.gz FJFRDGYZHYONBP-QFBILLFUSA-N 2 0 350.507 0.668 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104202986 844876720 /nfs/dbraw/zinc/87/67/20/844876720.db2.gz ZACZWTNEQBKMKC-OIISXLGYSA-N 2 0 371.547 0.447 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210965 844877780 /nfs/dbraw/zinc/87/77/80/844877780.db2.gz KUDJCDFAVWEDIL-QBPKDAKJSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104353850 844897215 /nfs/dbraw/zinc/89/72/15/844897215.db2.gz JQYRYCVPXLMQCH-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376342 844903707 /nfs/dbraw/zinc/90/37/07/844903707.db2.gz ALXCQALEKLBYND-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001104599347 844924251 /nfs/dbraw/zinc/92/42/51/844924251.db2.gz AFWHSJSQWXITAZ-RBSFLKMASA-N 2 0 351.499 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)Nc1nncs1 ZINC001104622119 844926945 /nfs/dbraw/zinc/92/69/45/844926945.db2.gz QXIYPZRDJSXJFN-CHWSQXEVSA-N 2 0 368.507 0.503 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC001104625616 844928123 /nfs/dbraw/zinc/92/81/23/844928123.db2.gz UXFOLSXDNGYREP-ZACQAIPSSA-N 2 0 351.495 0.270 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678724 844932904 /nfs/dbraw/zinc/93/29/04/844932904.db2.gz ASPVHLLNLLOQRS-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680012 844932944 /nfs/dbraw/zinc/93/29/44/844932944.db2.gz OAVPIXKSVWRDAX-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104872408 844954050 /nfs/dbraw/zinc/95/40/50/844954050.db2.gz GJDXVUZIOLGGIL-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104908105 844958681 /nfs/dbraw/zinc/95/86/81/844958681.db2.gz JLMJTKJRTFVEGD-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104924199 844960871 /nfs/dbraw/zinc/96/08/71/844960871.db2.gz JLXVOWPZVFVABI-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001104938346 844961483 /nfs/dbraw/zinc/96/14/83/844961483.db2.gz UVCDWKVIYYAEFU-QLFBSQMISA-N 2 0 351.499 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001105010776 844969153 /nfs/dbraw/zinc/96/91/53/844969153.db2.gz ZCQWBGLBVCBDFD-OAGGEKHMSA-N 2 0 351.495 0.038 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105066724 844976547 /nfs/dbraw/zinc/97/65/47/844976547.db2.gz CTMVBSYGKYEDCB-JFIYKMOQSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105642923 845007355 /nfs/dbraw/zinc/00/73/55/845007355.db2.gz OUOACZCGARFBQY-JEWRLFTDSA-N 2 0 355.523 0.675 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105666915 845013937 /nfs/dbraw/zinc/01/39/37/845013937.db2.gz LBGFUPWASQLBBA-ZAWLATJESA-N 2 0 355.523 0.677 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675498 845016867 /nfs/dbraw/zinc/01/68/67/845016867.db2.gz PSSAYDLYDNYXRB-RWQQGDIJSA-N 2 0 355.523 0.939 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106134540 845111001 /nfs/dbraw/zinc/11/10/01/845111001.db2.gz ZGDPPUHCMLPOOK-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143152 845113130 /nfs/dbraw/zinc/11/31/30/845113130.db2.gz TZSIEUIJWIHMNM-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149842 845115055 /nfs/dbraw/zinc/11/50/55/845115055.db2.gz VPCJCFQIJBHNPX-QBPKDAKJSA-N 2 0 373.563 0.836 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106211070 845135369 /nfs/dbraw/zinc/13/53/69/845135369.db2.gz PPJXHWVZTMCLMR-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106249590 845143277 /nfs/dbraw/zinc/14/32/77/845143277.db2.gz LLSZXKNSINCWBN-KYJSFNMBSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1)[NH+](C)C ZINC001106308819 845152187 /nfs/dbraw/zinc/15/21/87/845152187.db2.gz BTMWTHQSHUCLEK-JHJVBQTASA-N 2 0 366.428 0.689 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(N)=O ZINC001106310114 845152637 /nfs/dbraw/zinc/15/26/37/845152637.db2.gz LQULVMAIKNKWFE-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106321925 845153782 /nfs/dbraw/zinc/15/37/82/845153782.db2.gz HSFRDRKHIRMULI-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106322070 845154325 /nfs/dbraw/zinc/15/43/25/845154325.db2.gz IBXZIIIPIPFVLK-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591454 845201654 /nfs/dbraw/zinc/20/16/54/845201654.db2.gz AOPPQPNJPUKVJD-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+](CC)CC ZINC001106660535 845216589 /nfs/dbraw/zinc/21/65/89/845216589.db2.gz RIFMUXPSCJWASW-RBSFLKMASA-N 2 0 351.499 0.515 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665811 845218358 /nfs/dbraw/zinc/21/83/58/845218358.db2.gz CDJVWNSGWKHNBV-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001106665827 845219040 /nfs/dbraw/zinc/21/90/40/845219040.db2.gz DCQKZDXAPCGHSO-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1)[NH+](C)C ZINC001106673776 845223236 /nfs/dbraw/zinc/22/32/36/845223236.db2.gz KPAULBYYPYRYTJ-OAGGEKHMSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808994 845257534 /nfs/dbraw/zinc/25/75/34/845257534.db2.gz YLUAWMOAMUXMOE-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106874366 845274563 /nfs/dbraw/zinc/27/45/63/845274563.db2.gz FIHDKZPWUXBJDZ-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106874923 845276443 /nfs/dbraw/zinc/27/64/43/845276443.db2.gz ZFAJGSMXRVYZSM-HLLBOEOZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106881317 845278328 /nfs/dbraw/zinc/27/83/28/845278328.db2.gz BTNXCVTXNYHEDR-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882103 845278432 /nfs/dbraw/zinc/27/84/32/845278432.db2.gz PVJRHKQPBQYPJJ-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C)C1CC1 ZINC001106981600 845299700 /nfs/dbraw/zinc/29/97/00/845299700.db2.gz WQBZDTCKPAMZJR-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106984228 845301244 /nfs/dbraw/zinc/30/12/44/845301244.db2.gz DQEMQRVKUBSQHA-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107036473 845315523 /nfs/dbraw/zinc/31/55/23/845315523.db2.gz LQSOFOCSMBYSMW-JFIYKMOQSA-N 2 0 352.523 0.927 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037447 845317566 /nfs/dbraw/zinc/31/75/66/845317566.db2.gz HKOXWPVSOOLECU-JFIYKMOQSA-N 2 0 352.523 0.927 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444730 845375625 /nfs/dbraw/zinc/37/56/25/845375625.db2.gz YKXCXSZFINIYRC-VXIBKDFQSA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCOC1)CC2 ZINC001107609486 845407449 /nfs/dbraw/zinc/40/74/49/845407449.db2.gz URWFKKFCQNCKRY-ZHALLVOQSA-N 2 0 353.507 0.962 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632090 845411827 /nfs/dbraw/zinc/41/18/27/845411827.db2.gz PZPHILIECKZCNQ-FRQCXROJSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001109361307 845629299 /nfs/dbraw/zinc/62/92/99/845629299.db2.gz RSFBXBFILIMCKG-UGUYLWEFSA-N 2 0 352.458 0.680 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109653949 845705425 /nfs/dbraw/zinc/70/54/25/845705425.db2.gz OQEDQWGDBFZMFT-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653938 845705778 /nfs/dbraw/zinc/70/57/78/845705778.db2.gz ODAZJECBWUZENV-PMPSAXMXSA-N 2 0 374.551 0.379 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F ZINC001109979238 845771112 /nfs/dbraw/zinc/77/11/12/845771112.db2.gz XVDRPMMEHXIDFG-MQYQWHSLSA-N 2 0 367.412 0.599 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188657 845816568 /nfs/dbraw/zinc/81/65/68/845816568.db2.gz KXUQBJKOZRLHNN-BDXSIMOUSA-N 2 0 353.507 0.981 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001111751328 846191639 /nfs/dbraw/zinc/19/16/39/846191639.db2.gz QITBBRVYPUXWSD-LNLFQRSKSA-N 2 0 351.491 0.308 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)CC[N@@H+]1C ZINC001111851922 846230020 /nfs/dbraw/zinc/23/00/20/846230020.db2.gz UQUIIUULMJUJKD-DWRORGKVSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111854300 846231294 /nfs/dbraw/zinc/23/12/94/846231294.db2.gz NGKIBRPSWFPYOW-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276852280 861654462 /nfs/dbraw/zinc/65/44/62/861654462.db2.gz PJGWFQKCBQANOL-PKOBYXMFSA-N 2 0 352.523 0.726 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861500 846235897 /nfs/dbraw/zinc/23/58/97/846235897.db2.gz QJEIMKHKPRRDDY-LPHOPBHVSA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871886 846239023 /nfs/dbraw/zinc/23/90/23/846239023.db2.gz PSBIXIVCOGJVAW-FCEWJHQRSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2)[NH+](C)C ZINC001111875038 846242051 /nfs/dbraw/zinc/24/20/51/846242051.db2.gz NQLVSXCXMYLWDY-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111925707 846261220 /nfs/dbraw/zinc/26/12/20/846261220.db2.gz GXEDUSQZJUHHLF-DOXZYTNZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939632 846269723 /nfs/dbraw/zinc/26/97/23/846269723.db2.gz KJHTWSQFHYOGLN-MPGHIAIKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCCC1)C2 ZINC001112004410 846290964 /nfs/dbraw/zinc/29/09/64/846290964.db2.gz AOTPCACEUWGWFH-LPHOPBHVSA-N 2 0 350.507 0.920 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005010 846292274 /nfs/dbraw/zinc/29/22/74/846292274.db2.gz SBGSTXOTONCZMJ-GJYPPUQNSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113185 846392256 /nfs/dbraw/zinc/39/22/56/846392256.db2.gz IGAVLUCKZPNBFL-YNEHKIRRSA-N 2 0 367.412 0.457 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112146072 846418796 /nfs/dbraw/zinc/41/87/96/846418796.db2.gz OECOMDXRIKBGQU-SYQHCUMBSA-N 2 0 367.412 0.457 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001112160016 846425861 /nfs/dbraw/zinc/42/58/61/846425861.db2.gz NLYYIDDCDCRMAF-CHWSQXEVSA-N 2 0 364.412 0.443 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112160244 846426984 /nfs/dbraw/zinc/42/69/84/846426984.db2.gz ZSJBFRVHNXBFSC-GRYCIOLGSA-N 2 0 350.385 0.196 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)CC1 ZINC001112184889 846445109 /nfs/dbraw/zinc/44/51/09/846445109.db2.gz JVBUVQDJXFOYFM-ZIAGYGMSSA-N 2 0 367.412 0.459 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001112354501 846496357 /nfs/dbraw/zinc/49/63/57/846496357.db2.gz MDCNWNVWURNCCN-KXBFYZLASA-N 2 0 350.507 0.955 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410664 846501966 /nfs/dbraw/zinc/50/19/66/846501966.db2.gz KACOMMAPIOVZQM-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522214 846513266 /nfs/dbraw/zinc/51/32/66/846513266.db2.gz LARDOAPSLASAMD-SCTDSRPQSA-N 2 0 353.507 0.554 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112529837 846516161 /nfs/dbraw/zinc/51/61/61/846516161.db2.gz RFEGUYYSIVMBLK-LNLFQRSKSA-N 2 0 353.507 0.555 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112550984 846521408 /nfs/dbraw/zinc/52/14/08/846521408.db2.gz ANHFCFAWYLIWEN-LPHOPBHVSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@@]3(CC2=O)COCC[N@@H+](C2CC2)C3)CC1 ZINC001276937695 861697175 /nfs/dbraw/zinc/69/71/75/861697175.db2.gz FXUBIYCWWMSUTG-IBGZPJMESA-N 2 0 350.507 0.337 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116952413 846817650 /nfs/dbraw/zinc/81/76/50/846817650.db2.gz GQPQVHLDOLONJN-YYIAUSFCSA-N 2 0 352.523 0.879 20 0 FCADRP CCOC1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001117857907 847187071 /nfs/dbraw/zinc/18/70/71/847187071.db2.gz CFENRZCQCRERGB-UHFFFAOYSA-N 2 0 356.511 0.356 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001117978572 847238775 /nfs/dbraw/zinc/23/87/75/847238775.db2.gz LRPKJKYTYCZRMJ-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)N1CC[NH2+]CC1 ZINC001118223214 847330809 /nfs/dbraw/zinc/33/08/09/847330809.db2.gz OCONDZQYVMKNOJ-ZDUSSCGKSA-N 2 0 365.865 0.817 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001119352874 847820164 /nfs/dbraw/zinc/82/01/64/847820164.db2.gz FYIQYJQWXGFZFS-CABCVRRESA-N 2 0 368.547 0.802 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC001119438478 847844636 /nfs/dbraw/zinc/84/46/36/847844636.db2.gz JPNHVTMBDQTSDO-UHFFFAOYSA-N 2 0 353.488 0.645 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC/C=C\Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001120433467 848199171 /nfs/dbraw/zinc/19/91/71/848199171.db2.gz OCYNLWDGIGXSMF-WTKPLQERSA-N 2 0 364.877 0.965 20 0 FCADRP C[N@H+](CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC001120503958 848224394 /nfs/dbraw/zinc/22/43/94/848224394.db2.gz CTNIJWWBQOWASH-HNNXBMFYSA-N 2 0 352.479 0.845 20 0 FCADRP C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)C(=O)N(C)C ZINC001121133611 848322024 /nfs/dbraw/zinc/32/20/24/848322024.db2.gz DZSKJBVOOHBSRA-WFHVLEQDSA-N 2 0 350.507 0.820 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121919690 848416964 /nfs/dbraw/zinc/41/69/64/848416964.db2.gz DJTPQCVNAOWJLJ-UHFFFAOYSA-N 2 0 352.479 0.891 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001121923043 848418121 /nfs/dbraw/zinc/41/81/21/848418121.db2.gz SKQKHFJZZMAWGS-MRXNPFEDSA-N 2 0 353.438 0.883 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001122055144 848441275 /nfs/dbraw/zinc/44/12/75/848441275.db2.gz GROBAFDWQLTHDW-KBUPBQIOSA-N 2 0 357.520 0.246 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[C@H]1CSCC[NH2+]1 ZINC001122081904 848445383 /nfs/dbraw/zinc/44/53/83/848445383.db2.gz DLYAPQRFCYNBDB-INIZCTEOSA-N 2 0 363.531 0.805 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362144 848498747 /nfs/dbraw/zinc/49/87/47/848498747.db2.gz OHJKHEDUSMVQCH-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001123663821 848622058 /nfs/dbraw/zinc/62/20/58/848622058.db2.gz HYSKOMXJDCHTDG-SPUZQDLCSA-N 2 0 350.507 0.259 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001127707228 848734297 /nfs/dbraw/zinc/73/42/97/848734297.db2.gz WIUARNFNCDHCFS-JKSUJKDBSA-N 2 0 350.463 0.674 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001129029878 848798182 /nfs/dbraw/zinc/79/81/82/848798182.db2.gz NMNRONVHNHCCGT-OAGGEKHMSA-N 2 0 352.458 0.710 20 0 FCADRP COC[C@@H](C)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052295 848799496 /nfs/dbraw/zinc/79/94/96/848799496.db2.gz BHQBEKIJTBOHBP-BMFZPTHFSA-N 2 0 350.467 0.139 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052797 848800640 /nfs/dbraw/zinc/80/06/40/848800640.db2.gz NABYIPUFDFCRHO-IMJJTQAJSA-N 2 0 350.467 0.139 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129059855 848801205 /nfs/dbraw/zinc/80/12/05/848801205.db2.gz GRPFGGPNDVEUIB-PMPSAXMXSA-N 2 0 352.483 0.242 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1 ZINC001129219897 848819609 /nfs/dbraw/zinc/81/96/09/848819609.db2.gz MTTHYEPSASHPTP-CVEARBPZSA-N 2 0 362.503 0.876 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393256 848839163 /nfs/dbraw/zinc/83/91/63/848839163.db2.gz FTVBKVJWUUGLBK-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129453942 848846379 /nfs/dbraw/zinc/84/63/79/848846379.db2.gz RKNLLWMNOWJUEH-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465935 848848106 /nfs/dbraw/zinc/84/81/06/848848106.db2.gz UONLAWUQCMAQRF-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129919175 848916217 /nfs/dbraw/zinc/91/62/17/848916217.db2.gz PLPIUUZOQNSBTM-ZNMIVQPWSA-N 2 0 352.483 0.385 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005765 848930009 /nfs/dbraw/zinc/93/00/09/848930009.db2.gz GPRDQZVAHNURMV-LOHLBIGBSA-N 2 0 352.870 0.714 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001130081497 848941308 /nfs/dbraw/zinc/94/13/08/848941308.db2.gz RRBTWSRQQBYPPO-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130097000 848944571 /nfs/dbraw/zinc/94/45/71/848944571.db2.gz XOKBMJYTECEUAE-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001130238047 848985304 /nfs/dbraw/zinc/98/53/04/848985304.db2.gz QMEVFAVPKBJPFP-RDBSUJKOSA-N 2 0 350.467 0.245 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130244303 848986526 /nfs/dbraw/zinc/98/65/26/848986526.db2.gz FVRIOXKFOWQSIS-KBPBESRZSA-N 2 0 352.483 0.633 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130656420 849024215 /nfs/dbraw/zinc/02/42/15/849024215.db2.gz JKUPIADFSWFNGP-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130706727 849027857 /nfs/dbraw/zinc/02/78/57/849027857.db2.gz VNRBQUNMMPWIMY-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]C/C=C/Cl)c1 ZINC001130712645 849028588 /nfs/dbraw/zinc/02/85/88/849028588.db2.gz FPACUACCTMMGES-WIJLQKJISA-N 2 0 369.897 0.635 20 0 FCADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130816103 849048195 /nfs/dbraw/zinc/04/81/95/849048195.db2.gz KVFIHLJIMRXVGG-QWHCGFSZSA-N 2 0 356.446 0.542 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001131020081 849071612 /nfs/dbraw/zinc/07/16/12/849071612.db2.gz KLDRECZBZZMWBQ-RBSFLKMASA-N 2 0 351.495 0.415 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564366 849123418 /nfs/dbraw/zinc/12/34/18/849123418.db2.gz JIXUDGBJRAXWHB-UNEWFSDZSA-N 2 0 354.495 0.058 20 0 FCADRP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131605027 849129312 /nfs/dbraw/zinc/12/93/12/849129312.db2.gz SWSLPEXVDKSDEV-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CC(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)C1 ZINC001142599070 849454336 /nfs/dbraw/zinc/45/43/36/849454336.db2.gz NMAKCRHJLZTIHI-HIFRSBDPSA-N 2 0 352.479 0.605 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001142791717 849461591 /nfs/dbraw/zinc/46/15/91/849461591.db2.gz MGIDHFDOIIBTME-SFUXALCOSA-N 2 0 367.437 0.547 20 0 FCADRP CC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001277712567 862025074 /nfs/dbraw/zinc/02/50/74/862025074.db2.gz JUCLRNRADIYHMY-MJGOQNOKSA-N 2 0 352.523 0.319 20 0 FCADRP Cc1ncc(CO)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1O ZINC001147837788 849593404 /nfs/dbraw/zinc/59/34/04/849593404.db2.gz DSDQTTHFVMIWGT-UHFFFAOYSA-N 2 0 352.479 0.934 20 0 FCADRP CC[N@H+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484654 849748186 /nfs/dbraw/zinc/74/81/86/849748186.db2.gz DUZAMCOFOCBFAO-BZUAXINKSA-N 2 0 355.527 0.861 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001155232500 849840556 /nfs/dbraw/zinc/84/05/56/849840556.db2.gz UEBHVTIFRORHSY-AWEZNQCLSA-N 2 0 350.467 0.429 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CCSC12C[NH2+]C2)C(=O)N1CCCC1 ZINC001157370639 849966953 /nfs/dbraw/zinc/96/69/53/849966953.db2.gz FBTZPXGLKIINGS-KGLIPLIRSA-N 2 0 354.520 0.318 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2(C1)CC(F)(F)C2 ZINC001157522526 849977490 /nfs/dbraw/zinc/97/74/90/849977490.db2.gz UZGGDNREAPRZCF-STQMWFEESA-N 2 0 358.433 0.691 20 0 FCADRP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001157626980 849985770 /nfs/dbraw/zinc/98/57/70/849985770.db2.gz KQAWWENEKZQXGP-IEBWSBKVSA-N 2 0 350.507 0.289 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)CC2)CC1 ZINC001157799633 849995984 /nfs/dbraw/zinc/99/59/84/849995984.db2.gz OWLCVTNLHKDRAU-KDOFPFPSSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3nc(Cl)cnc3C(N)=O)CC2)CC1 ZINC001157838466 849999108 /nfs/dbraw/zinc/99/91/08/849999108.db2.gz YUYCOLJCGWFCCP-UHFFFAOYSA-N 2 0 352.870 0.693 20 0 FCADRP CC(C)S(=O)(=O)N(c1cncc(N2CC[NH2+]CC2)n1)[C@H]1CCC[NH2+]C1 ZINC001157992179 850010354 /nfs/dbraw/zinc/01/03/54/850010354.db2.gz RILGREHHBQTUAP-AWEZNQCLSA-N 2 0 368.507 0.183 20 0 FCADRP O=C(c1csc([C@H]2CCC[NH2+]2)n1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120258 850019906 /nfs/dbraw/zinc/01/99/06/850019906.db2.gz MPKKZJYCZSTRCR-PIGZYNQJSA-N 2 0 361.471 0.119 20 0 FCADRP [NH3+][C@H](CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)Cc1cccs1 ZINC001158259966 850030268 /nfs/dbraw/zinc/03/02/68/850030268.db2.gz AIZMURAGUXFQES-ZDUSSCGKSA-N 2 0 360.487 0.721 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[C@@H]([NH3+])C1CC1)C2 ZINC001158383022 850043325 /nfs/dbraw/zinc/04/33/25/850043325.db2.gz NPHJKXIPJIJSCY-KCPJHIHWSA-N 2 0 363.380 0.657 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])C(C)C)C2 ZINC001158383036 850043437 /nfs/dbraw/zinc/04/34/37/850043437.db2.gz LOFPSGVVAZKBOS-ZLKJLUDKSA-N 2 0 351.369 0.513 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])C(C)C)C2 ZINC001158383028 850043467 /nfs/dbraw/zinc/04/34/67/850043467.db2.gz LOFPSGVVAZKBOS-GDLCADMTSA-N 2 0 351.369 0.513 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)C2 ZINC001158383575 850043582 /nfs/dbraw/zinc/04/35/82/850043582.db2.gz QWWLUFCUXCHBEN-FBUXBERBSA-N 2 0 361.364 0.282 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001158384923 850044416 /nfs/dbraw/zinc/04/44/16/850044416.db2.gz TYJDCHVJKVSJCC-LSDHHAIUSA-N 2 0 365.396 0.870 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428529 850048656 /nfs/dbraw/zinc/04/86/56/850048656.db2.gz HZUUUAIPGWTULA-YNEHKIRRSA-N 2 0 353.492 0.906 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001158413161 850048715 /nfs/dbraw/zinc/04/87/15/850048715.db2.gz WSSKWCNCTSLCOR-HRCADAONSA-N 2 0 354.495 0.060 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001158496540 850056390 /nfs/dbraw/zinc/05/63/90/850056390.db2.gz RNQDGUYRTKWESK-OFTGVCEQSA-N 2 0 363.380 0.669 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548793 850059256 /nfs/dbraw/zinc/05/92/56/850059256.db2.gz ZXMXSGMXCYVELZ-HNSFDTNUSA-N 2 0 353.463 0.415 20 0 FCADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001158791715 850076359 /nfs/dbraw/zinc/07/63/59/850076359.db2.gz ZOHPHPSECSVWIA-KBPBESRZSA-N 2 0 352.483 0.429 20 0 FCADRP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001158791735 850076601 /nfs/dbraw/zinc/07/66/01/850076601.db2.gz ZSUKWOHLZBIUKK-UHFFFAOYSA-N 2 0 367.519 0.491 20 0 FCADRP CC[C@@H]1N(C(=O)C[NH2+]CCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159276325 850106566 /nfs/dbraw/zinc/10/65/66/850106566.db2.gz MRFDXMPYBUBBLK-YJBOKZPZSA-N 2 0 354.495 0.333 20 0 FCADRP Nc1ncn(/C=C/C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159405673 850111715 /nfs/dbraw/zinc/11/17/15/850111715.db2.gz PVVCPXZYBGXNIO-AVIGRMCRSA-N 2 0 366.897 0.460 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159404930 850112124 /nfs/dbraw/zinc/11/21/24/850112124.db2.gz ZKZATBMYXYPXSF-MRRJBJDNSA-N 2 0 352.410 0.141 20 0 FCADRP CCN1C[C@H]2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403578 850112332 /nfs/dbraw/zinc/11/23/32/850112332.db2.gz MIOSELAENMBYOQ-QLFBSQMISA-N 2 0 360.524 0.105 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560436 850121061 /nfs/dbraw/zinc/12/10/61/850121061.db2.gz LYRCYARSOASJIF-AWEZNQCLSA-N 3 0 366.535 0.277 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@@H]2C ZINC001159633031 850124693 /nfs/dbraw/zinc/12/46/93/850124693.db2.gz FIDGQHPJGSCNTD-GNKUIDOVSA-N 2 0 369.535 0.722 20 0 FCADRP CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159844617 850141216 /nfs/dbraw/zinc/14/12/16/850141216.db2.gz ITHVSKXCLKNFTC-HNNXBMFYSA-N 2 0 354.495 0.095 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159906210 850144289 /nfs/dbraw/zinc/14/42/89/850144289.db2.gz ZMXKNUPKKBXKFA-ORIJERBGSA-N 2 0 368.503 0.732 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159906212 850144332 /nfs/dbraw/zinc/14/43/32/850144332.db2.gz ZMXKNUPKKBXKFA-TTZDDIAXSA-N 2 0 368.503 0.732 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160076269 850151971 /nfs/dbraw/zinc/15/19/71/850151971.db2.gz JCLDRMUGCKSCBJ-CBBWQLFWSA-N 2 0 352.410 0.424 20 0 FCADRP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001160148581 850155402 /nfs/dbraw/zinc/15/54/02/850155402.db2.gz WVHWOLFDPFTTPT-LBPRGKRZSA-N 2 0 367.519 0.522 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160191362 850158081 /nfs/dbraw/zinc/15/80/81/850158081.db2.gz KUGXWCMZGWFWOK-JONQDZQNSA-N 2 0 350.507 0.986 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201269 850158681 /nfs/dbraw/zinc/15/86/81/850158681.db2.gz FLGMUSMVZHJNBO-CVEARBPZSA-N 2 0 350.507 0.988 20 0 FCADRP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001160325419 850166217 /nfs/dbraw/zinc/16/62/17/850166217.db2.gz JPYPTENMDVRAFA-KGLIPLIRSA-N 2 0 350.467 0.289 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490759 850176908 /nfs/dbraw/zinc/17/69/08/850176908.db2.gz HKMCOHLGMKTCEV-HOCLYGCPSA-N 2 0 354.495 0.188 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC([NH3+])CC1 ZINC001160515778 850178089 /nfs/dbraw/zinc/17/80/89/850178089.db2.gz UHLVRYALMIVBMF-STQMWFEESA-N 2 0 362.565 0.254 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160548448 850180856 /nfs/dbraw/zinc/18/08/56/850180856.db2.gz GBHJSCZNQXIBPQ-SNVBAGLBSA-N 2 0 359.352 0.603 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C[C@H]1C2 ZINC001160793575 850198423 /nfs/dbraw/zinc/19/84/23/850198423.db2.gz BRSRMIXBDCTANX-CRQFQMBKSA-N 2 0 357.401 0.088 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912673 850213611 /nfs/dbraw/zinc/21/36/11/850213611.db2.gz MTHYWVASTNKFKX-LBPRGKRZSA-N 2 0 351.838 0.309 20 0 FCADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051354 850225952 /nfs/dbraw/zinc/22/59/52/850225952.db2.gz UEUPISMVRPPINE-GJZGRUSLSA-N 2 0 357.520 0.342 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccc(OCC)cc1 ZINC001161152935 850234800 /nfs/dbraw/zinc/23/48/00/850234800.db2.gz BSEXKQQSIIUYIQ-INIZCTEOSA-N 2 0 351.447 0.696 20 0 FCADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001161176555 850237147 /nfs/dbraw/zinc/23/71/47/850237147.db2.gz VUWQOFVGILFJOO-IAGOWNOFSA-N 2 0 352.523 0.366 20 0 FCADRP CCC[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001161174896 850237929 /nfs/dbraw/zinc/23/79/29/850237929.db2.gz FYFVIYNAFJNIRA-ZNMIVQPWSA-N 2 0 354.495 0.045 20 0 FCADRP O=C(C1CC[NH2+]CC1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196469 850239004 /nfs/dbraw/zinc/23/90/04/850239004.db2.gz IYKXDGMBCCAGDE-UHFFFAOYSA-N 2 0 352.523 0.537 20 0 FCADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206154 850240030 /nfs/dbraw/zinc/24/00/30/850240030.db2.gz XQGGFCWQYQBZSR-HNNXBMFYSA-N 2 0 355.504 0.001 20 0 FCADRP COc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)nc1 ZINC001161368032 850254951 /nfs/dbraw/zinc/25/49/51/850254951.db2.gz BQIAEYAIMZGMPK-KGLIPLIRSA-N 2 0 354.476 0.479 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381621 850255291 /nfs/dbraw/zinc/25/52/91/850255291.db2.gz YNEAMHFODARSHV-WDYCEAGBSA-N 2 0 350.507 0.559 20 0 FCADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161381931 850255671 /nfs/dbraw/zinc/25/56/71/850255671.db2.gz RUZQZUWDTWNPJR-LNLFQRSKSA-N 2 0 351.491 0.858 20 0 FCADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382260 850256250 /nfs/dbraw/zinc/25/62/50/850256250.db2.gz WFAASWRQIBWBGB-KURKYZTESA-N 2 0 350.507 0.384 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444646 850259413 /nfs/dbraw/zinc/25/94/13/850259413.db2.gz JOJALCOQMWPIJH-LSDHHAIUSA-N 3 0 356.511 0.578 20 0 FCADRP C[NH+](C)CCN(C(=O)c1csc(N2CC[NH2+]CC2)n1)[C@H]1CCC[NH2+]C1 ZINC001161449540 850260008 /nfs/dbraw/zinc/26/00/08/850260008.db2.gz NQMIRXNKGUTNRL-AWEZNQCLSA-N 3 0 366.535 0.309 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC2 ZINC001161480315 850261912 /nfs/dbraw/zinc/26/19/12/850261912.db2.gz OVAURTWEAKLOCE-RLFYNMQTSA-N 3 0 354.495 0.236 20 0 FCADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161488053 850263677 /nfs/dbraw/zinc/26/36/77/850263677.db2.gz JTZGTQOWEWDFRU-RLFYNMQTSA-N 3 0 353.511 0.021 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161498701 850264815 /nfs/dbraw/zinc/26/48/15/850264815.db2.gz CBKNGCWVOLPEKO-UWVGGRQHSA-N 2 0 360.277 0.567 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H](n2cc(Br)cn2)C1)C1CC[NH2+]CC1 ZINC001161520487 850265840 /nfs/dbraw/zinc/26/58/40/850265840.db2.gz OXPWLWNQGGIPJE-OLZOCXBDSA-N 2 0 356.268 0.746 20 0 FCADRP COCC(COC)N1CCN(C(=O)CCCCN2CCOCC2)CC1 ZINC001161733687 850279160 /nfs/dbraw/zinc/27/91/60/850279160.db2.gz MZZWQSNZOHDHRF-UHFFFAOYSA-N 2 0 357.495 0.295 20 0 FCADRP CN1CCO[C@H](CNc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001162693731 850327175 /nfs/dbraw/zinc/32/71/75/850327175.db2.gz JILRFYSTEOALDQ-MRXNPFEDSA-N 2 0 368.503 0.459 20 0 FCADRP CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]2)CC1 ZINC001163261801 850362251 /nfs/dbraw/zinc/36/22/51/850362251.db2.gz OGAATJCZHJDBFE-ILXRZTDVSA-N 2 0 365.503 0.573 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833751 862120837 /nfs/dbraw/zinc/12/08/37/862120837.db2.gz GTHXAEBGPVRCPY-GUYCJALGSA-N 2 0 361.433 0.795 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC2(C[NH2+]CCO)CC2)CC1 ZINC001164565776 850417651 /nfs/dbraw/zinc/41/76/51/850417651.db2.gz DPWSNWFEZSGLBS-SJORKVTESA-N 2 0 353.507 0.602 20 0 FCADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001167894948 850561521 /nfs/dbraw/zinc/56/15/21/850561521.db2.gz AORZCTJFHGSHRR-OAHLLOKOSA-N 2 0 351.451 0.890 20 0 FCADRP Cc1nc(CC[NH3+])nn1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001168991369 850600951 /nfs/dbraw/zinc/60/09/51/850600951.db2.gz JPRNBHPJXHBHHR-UHFFFAOYSA-N 2 0 364.475 0.107 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CO1 ZINC001169359981 850619538 /nfs/dbraw/zinc/61/95/38/850619538.db2.gz XESIQYWUAKOIPK-FPCVCCKLSA-N 2 0 355.479 0.676 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(O[C@@H]3CCC[NH2+]C3)nn2)O1 ZINC001170276596 850648765 /nfs/dbraw/zinc/64/87/65/850648765.db2.gz FGBNAGPTSHIXJN-WBOJAVRRSA-N 2 0 351.451 0.744 20 0 FCADRP [NH3+]CCOCCOCCNc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001170512766 850655992 /nfs/dbraw/zinc/65/59/92/850655992.db2.gz LYRIANRWXZCJIO-UHFFFAOYSA-N 2 0 350.463 0.572 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001170871694 850668791 /nfs/dbraw/zinc/66/87/91/850668791.db2.gz QXOBSTDDGMVNQH-HZSPNIEDSA-N 2 0 355.483 0.176 20 0 FCADRP C[C@H]1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1C(=O)OC(C)(C)C ZINC001173056750 850718095 /nfs/dbraw/zinc/71/80/95/850718095.db2.gz BMRJWPJUUWFZJD-QWHCGFSZSA-N 2 0 360.459 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731591 850921573 /nfs/dbraw/zinc/92/15/73/850921573.db2.gz YRPPGRUOZFAJRB-WTTBNOFXSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178735672 850922741 /nfs/dbraw/zinc/92/27/41/850922741.db2.gz ASRSOGXAWUUPLQ-YHUYYLMFSA-N 2 0 359.536 0.730 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC(C)([NH+](C)C)C3)CC2)CC1 ZINC001179013124 850945273 /nfs/dbraw/zinc/94/52/73/850945273.db2.gz ZFKMOOHNKTYKHX-UHFFFAOYSA-N 2 0 350.507 0.872 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CC[NH+](C(C)C)C1)CC2 ZINC001181976585 851143112 /nfs/dbraw/zinc/14/31/12/851143112.db2.gz XLQQCPRQSFLGHH-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182661238 851188970 /nfs/dbraw/zinc/18/89/70/851188970.db2.gz JRYUQDWORRSOFO-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001278232312 862265832 /nfs/dbraw/zinc/26/58/32/862265832.db2.gz UEFMUDTWSJYRML-MSOLQXFVSA-N 2 0 353.507 0.866 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(CC(=O)NC(C)C)C[C@H]21 ZINC001188107152 851645667 /nfs/dbraw/zinc/64/56/67/851645667.db2.gz IGNDNECYBQVYPC-HRCADAONSA-N 2 0 356.486 0.724 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001188107801 851646642 /nfs/dbraw/zinc/64/66/42/851646642.db2.gz YYZZMAJIQKHAJC-GVDBMIGSSA-N 2 0 359.486 0.862 20 0 FCADRP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001189312919 851777626 /nfs/dbraw/zinc/77/76/26/851777626.db2.gz YVXSDOUIWUCYGE-OKZBNKHCSA-N 2 0 353.507 0.793 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001189612247 851808663 /nfs/dbraw/zinc/80/86/63/851808663.db2.gz LVDZMYFMQGJSAT-ZWKOTPCHSA-N 2 0 353.507 0.648 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669236 851814321 /nfs/dbraw/zinc/81/43/21/851814321.db2.gz UUCZTARSNBRDDL-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001189811014 851826787 /nfs/dbraw/zinc/82/67/87/851826787.db2.gz RDCPGMGKQZLIBE-RCCFBDPRSA-N 2 0 353.507 0.912 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913482 851841794 /nfs/dbraw/zinc/84/17/94/851841794.db2.gz RZGYGHIMKQWSME-RRFJBIMHSA-N 2 0 350.463 0.056 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001189922940 851843531 /nfs/dbraw/zinc/84/35/31/851843531.db2.gz HCAKLYWLYDZWFU-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CCOCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237414 851881053 /nfs/dbraw/zinc/88/10/53/851881053.db2.gz BNVUXPLINBARCQ-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001190350848 851895282 /nfs/dbraw/zinc/89/52/82/851895282.db2.gz LLWHVOADRUVBQH-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC001278462878 862337074 /nfs/dbraw/zinc/33/70/74/862337074.db2.gz AAWYMFPYIOYCIM-ULQDDVLXSA-N 2 0 350.507 0.097 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039822 852529352 /nfs/dbraw/zinc/52/93/52/852529352.db2.gz WEYYSVUMPRPQJN-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289673 852573104 /nfs/dbraw/zinc/57/31/04/852573104.db2.gz LBNNTDMNKHXBMP-USXIJHARSA-N 2 0 350.463 0.230 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)CCCC1 ZINC001195006022 852691164 /nfs/dbraw/zinc/69/11/64/852691164.db2.gz CRWDXLVYDINURT-GVDBMIGSSA-N 2 0 353.507 0.981 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195640290 852804274 /nfs/dbraw/zinc/80/42/74/852804274.db2.gz CPSIYIHTAOKBTJ-CHWSQXEVSA-N 2 0 367.412 0.459 20 0 FCADRP CCn1cc(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001195981039 852859616 /nfs/dbraw/zinc/85/96/16/852859616.db2.gz MBAMTXDDABSXKN-BRWVUGGUSA-N 2 0 351.495 0.193 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC001196637352 852990841 /nfs/dbraw/zinc/99/08/41/852990841.db2.gz KNAUBAGCRFJYOG-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)cn1 ZINC001196708807 853001109 /nfs/dbraw/zinc/00/11/09/853001109.db2.gz WVDPOEIASXNXPL-UHFFFAOYSA-N 2 0 370.519 0.831 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001197826399 853168807 /nfs/dbraw/zinc/16/88/07/853168807.db2.gz VKSOLZIAJAWZPP-IAGOWNOFSA-N 2 0 355.523 0.942 20 0 FCADRP COc1nc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001198678271 853300141 /nfs/dbraw/zinc/30/01/41/853300141.db2.gz ADWARAAHXUJXBB-UHFFFAOYSA-N 2 0 364.899 0.858 20 0 FCADRP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699367 853303241 /nfs/dbraw/zinc/30/32/41/853303241.db2.gz ORUQNNHSXZHVMC-AKBADGPISA-N 2 0 353.507 0.862 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057444 853361398 /nfs/dbraw/zinc/36/13/98/853361398.db2.gz JVQASMIECAQLDV-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127522 853374883 /nfs/dbraw/zinc/37/48/83/853374883.db2.gz GBLPIMHBVRQKKM-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(C(=S)NCCN3CCOCC3)CC2)CC1 ZINC001200125686 853484178 /nfs/dbraw/zinc/48/41/78/853484178.db2.gz DYLHYEZKGKZVOJ-UHFFFAOYSA-N 2 0 369.579 0.153 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538336 853502524 /nfs/dbraw/zinc/50/25/24/853502524.db2.gz YZDWVULWTQHOLE-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001200620235 853505042 /nfs/dbraw/zinc/50/50/42/853505042.db2.gz YJASZYPLJLNVKE-MSOLQXFVSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC([NH2+]CCCO)CC2)CC1 ZINC001200619501 853505396 /nfs/dbraw/zinc/50/53/96/853505396.db2.gz DOUJDDLUERIGIB-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC3(CS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001200637552 853506118 /nfs/dbraw/zinc/50/61/18/853506118.db2.gz XFIUOQYDBFXXHT-GDBMZVCRSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001200644123 853507295 /nfs/dbraw/zinc/50/72/95/853507295.db2.gz JQBXIVJQFVGJPE-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCC3CCOCC3)CC[C@@H]2C1 ZINC001202637909 853571441 /nfs/dbraw/zinc/57/14/41/853571441.db2.gz PEDOHTBHPCZRLI-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP [NH3+][C@H]1C[C@@H](O)CN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001204957560 853593859 /nfs/dbraw/zinc/59/38/59/853593859.db2.gz SXIQQUJAFLLCTQ-LSDHHAIUSA-N 2 0 369.307 0.753 20 0 FCADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001205339878 853605017 /nfs/dbraw/zinc/60/50/17/853605017.db2.gz OCDICVZFXZVZFF-JJRVBVJISA-N 2 0 350.507 0.822 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205445836 853609175 /nfs/dbraw/zinc/60/91/75/853609175.db2.gz MNPOJKODWXRIBG-JKSUJKDBSA-N 2 0 350.438 0.537 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784480 853856735 /nfs/dbraw/zinc/85/67/35/853856735.db2.gz MLEPDWSFWYGCRM-NVXWUHKLSA-N 2 0 350.463 0.353 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070369 853890496 /nfs/dbraw/zinc/89/04/96/853890496.db2.gz KJPKWHVSRHWHQB-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001208070102 853890853 /nfs/dbraw/zinc/89/08/53/853890853.db2.gz DCBYXJIXXHWYJP-FRRDWIJNSA-N 2 0 364.412 0.586 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070888 853891833 /nfs/dbraw/zinc/89/18/33/853891833.db2.gz SZENCLWRQYLNCB-DJIMGWMZSA-N 2 0 354.495 0.060 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](CC1(C)CC[NH+](C)CC1)C[C@H]2C(=O)N(C)C ZINC001208116419 853897602 /nfs/dbraw/zinc/89/76/02/853897602.db2.gz UPPUYSYFZNQKLF-INIZCTEOSA-N 2 0 350.507 0.587 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327148 854019906 /nfs/dbraw/zinc/01/99/06/854019906.db2.gz CYNOYOKGAFHRIM-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836131 854056217 /nfs/dbraw/zinc/05/62/17/854056217.db2.gz GCIBLILURKJQFF-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001210499074 854113930 /nfs/dbraw/zinc/11/39/30/854113930.db2.gz OUJSNZBOKIRCRB-HZPDHXFCSA-N 2 0 355.527 0.862 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528806 854116787 /nfs/dbraw/zinc/11/67/87/854116787.db2.gz IHNGBXPBFGXNII-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212460315 854488515 /nfs/dbraw/zinc/48/85/15/854488515.db2.gz GEHGRUAFPAJNCI-HZPDHXFCSA-N 2 0 357.495 0.197 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204374 854532109 /nfs/dbraw/zinc/53/21/09/854532109.db2.gz HCGBBNDJRKQRGC-HZPDHXFCSA-N 2 0 350.463 0.595 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342324 854582788 /nfs/dbraw/zinc/58/27/88/854582788.db2.gz RFXHNRXHHYSBJP-BZUAXINKSA-N 2 0 353.507 0.959 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213348415 854584933 /nfs/dbraw/zinc/58/49/33/854584933.db2.gz LTZVEPDSNTWMTG-IAGOWNOFSA-N 2 0 351.495 0.603 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC)[NH+](CC)CC ZINC001213435025 854614366 /nfs/dbraw/zinc/61/43/66/854614366.db2.gz QCWMHJBYAOMSBW-BRWVUGGUSA-N 2 0 359.511 0.585 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455490 854624474 /nfs/dbraw/zinc/62/44/74/854624474.db2.gz DNQUOFDZRZKNRB-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704664 854727055 /nfs/dbraw/zinc/72/70/55/854727055.db2.gz MUCMRMSUDFVHTQ-QZTJIDSGSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213769393 854760663 /nfs/dbraw/zinc/76/06/63/854760663.db2.gz SULLRWZGUUYUMQ-GVDBMIGSSA-N 2 0 359.511 0.177 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214335872 854927556 /nfs/dbraw/zinc/92/75/56/854927556.db2.gz LLEHOABCUURYNM-KFWWJZLASA-N 2 0 353.511 0.615 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214343932 854928495 /nfs/dbraw/zinc/92/84/95/854928495.db2.gz KACCWNZSGNGUOH-IJLUTSLNSA-N 2 0 350.385 0.196 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214611170 854977317 /nfs/dbraw/zinc/97/73/17/854977317.db2.gz RTPCYPXBBFEIRG-OAGGEKHMSA-N 2 0 359.536 0.730 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214634691 854983482 /nfs/dbraw/zinc/98/34/82/854983482.db2.gz UFABEPCUNCHWNM-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C)C1CC1 ZINC001214664263 854989374 /nfs/dbraw/zinc/98/93/74/854989374.db2.gz TWWJQAWLCPFIRV-MUIFIZLQSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C1CC1 ZINC001214847847 855022086 /nfs/dbraw/zinc/02/20/86/855022086.db2.gz VHEBWMWKAQPYKV-IIAWOOMASA-N 2 0 350.507 0.822 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845490 855022277 /nfs/dbraw/zinc/02/22/77/855022277.db2.gz WKKDROJAASEZON-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214856183 855024943 /nfs/dbraw/zinc/02/49/43/855024943.db2.gz XTGKDAFWFLPSCA-KYOSRNDESA-N 2 0 365.503 0.858 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214863852 855025483 /nfs/dbraw/zinc/02/54/83/855025483.db2.gz ZEXDRKNKWUJELX-IIAWOOMASA-N 2 0 359.536 0.588 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1)[NH+](C)C ZINC001214904885 855030782 /nfs/dbraw/zinc/03/07/82/855030782.db2.gz ORRKGWXWYHUPPG-KYJSFNMBSA-N 2 0 352.523 0.878 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1)[NH+](C)C ZINC001214952953 855038551 /nfs/dbraw/zinc/03/85/51/855038551.db2.gz UEQNSRBHDLJLEI-MRVWCRGKSA-N 2 0 351.451 0.698 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1)[NH+](C)C ZINC001214952663 855038645 /nfs/dbraw/zinc/03/86/45/855038645.db2.gz GWDHVERLRFVQPN-IJLUTSLNSA-N 2 0 354.480 0.253 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)CS(C)(=O)=O ZINC001215058279 855060325 /nfs/dbraw/zinc/06/03/25/855060325.db2.gz IJONIFZYSXMHND-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215217625 855082631 /nfs/dbraw/zinc/08/26/31/855082631.db2.gz PJQCACSFECVKCR-QGPMSJSTSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215397401 855109881 /nfs/dbraw/zinc/10/98/81/855109881.db2.gz YRXVYXLITRVGNJ-YQFWSFKMSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001215415675 855111853 /nfs/dbraw/zinc/11/18/53/855111853.db2.gz GTJPFSINMCHTCG-GDBMZVCRSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215423333 855112821 /nfs/dbraw/zinc/11/28/21/855112821.db2.gz HKFIISFOVQTBJF-JHJVBQTASA-N 2 0 366.428 0.832 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001215453834 855117197 /nfs/dbraw/zinc/11/71/97/855117197.db2.gz UMCUYOQVROZHKM-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215459122 855117412 /nfs/dbraw/zinc/11/74/12/855117412.db2.gz YIQBIRZUVMNNMV-GRYCIOLGSA-N 2 0 352.401 0.442 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001215460593 855118079 /nfs/dbraw/zinc/11/80/79/855118079.db2.gz ACHDRQALBKOPNM-RHSMWYFYSA-N 2 0 367.515 0.978 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001215462959 855118233 /nfs/dbraw/zinc/11/82/33/855118233.db2.gz DDEXDPZJWNRPON-CHWSQXEVSA-N 2 0 353.492 0.494 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215865668 855152178 /nfs/dbraw/zinc/15/21/78/855152178.db2.gz ZDJQHICHCKXIQC-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216002219 855163826 /nfs/dbraw/zinc/16/38/26/855163826.db2.gz OMBOYGSCVUFGNA-UKRRQHHQSA-N 2 0 371.503 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216053714 855167427 /nfs/dbraw/zinc/16/74/27/855167427.db2.gz VTLAKYUEOXMOCZ-NVXWUHKLSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001216400954 855199594 /nfs/dbraw/zinc/19/95/94/855199594.db2.gz FHZCAUSWFYETEI-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)ccn1 ZINC001216400904 855199606 /nfs/dbraw/zinc/19/96/06/855199606.db2.gz DZELRFLGVJZAET-GDBMZVCRSA-N 2 0 350.463 0.605 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216506473 855209819 /nfs/dbraw/zinc/20/98/19/855209819.db2.gz JMQGVYPIMQSPHO-BRWVUGGUSA-N 2 0 359.511 0.179 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216511727 855210059 /nfs/dbraw/zinc/21/00/59/855210059.db2.gz YCZHOIKDCYRXRD-UKRRQHHQSA-N 2 0 354.520 0.997 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216754233 855232847 /nfs/dbraw/zinc/23/28/47/855232847.db2.gz LOAMFBAPTBRZKP-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216754458 855232989 /nfs/dbraw/zinc/23/29/89/855232989.db2.gz VPIMUOJGLYLLLQ-IJLUTSLNSA-N 2 0 350.385 0.053 20 0 FCADRP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001216755932 855233060 /nfs/dbraw/zinc/23/30/60/855233060.db2.gz KVFAYXSYRBYURR-TZMCWYRMSA-N 2 0 365.503 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001216757616 855233736 /nfs/dbraw/zinc/23/37/36/855233736.db2.gz FRAOMEMVNNERCS-CHWSQXEVSA-N 2 0 364.412 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001216772654 855238229 /nfs/dbraw/zinc/23/82/29/855238229.db2.gz IHVSFKUNJHMXIY-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216829486 855252125 /nfs/dbraw/zinc/25/21/25/855252125.db2.gz YLORHFWKAWVDTI-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216852054 855259777 /nfs/dbraw/zinc/25/97/77/855259777.db2.gz MZZQOALDMPIYTM-HUUCEWRRSA-N 2 0 359.536 0.588 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217976810 855388723 /nfs/dbraw/zinc/38/87/23/855388723.db2.gz LZVOBKLNNQICAD-ZJUUUORDSA-N 2 0 356.398 0.230 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363003 855418193 /nfs/dbraw/zinc/41/81/93/855418193.db2.gz FYWBYYSNOQPJTI-BPQIPLTHSA-N 2 0 353.507 0.933 20 0 FCADRP NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218667651 855460390 /nfs/dbraw/zinc/46/03/90/855460390.db2.gz QOLRZLRYPORFKS-LURJTMIESA-N 2 0 352.247 0.445 20 0 FCADRP Nc1cnc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218673837 855461671 /nfs/dbraw/zinc/46/16/71/855461671.db2.gz GMFDNXKKEZOUOC-UWVGGRQHSA-N 2 0 369.857 0.098 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)COC1(C)C ZINC001218712194 855468711 /nfs/dbraw/zinc/46/87/11/855468711.db2.gz NNCGHBQFKQKPAK-UMNHJUIQSA-N 2 0 351.407 0.348 20 0 FCADRP Cc1ccc(Br)nc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218749765 855474030 /nfs/dbraw/zinc/47/40/30/855474030.db2.gz JKWOLMVZVSWAJK-LLVKDONJSA-N 2 0 356.268 0.841 20 0 FCADRP COc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(C(N)=O)cc1OC ZINC001218969239 855504596 /nfs/dbraw/zinc/50/45/96/855504596.db2.gz YJKBDSZAMSYIDF-LBPRGKRZSA-N 2 0 352.435 0.800 20 0 FCADRP N[C@@H](CC[NH3+])C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190620 855579632 /nfs/dbraw/zinc/57/96/32/855579632.db2.gz UDILLTAEALLFJJ-AWEZNQCLSA-N 2 0 359.396 0.725 20 0 FCADRP C[NH2+][C@@H](CO)C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190550 855579696 /nfs/dbraw/zinc/57/96/96/855579696.db2.gz QQRGXOBXWOAGPH-AWEZNQCLSA-N 2 0 360.380 0.629 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283484 855616024 /nfs/dbraw/zinc/61/60/24/855616024.db2.gz PBKKBYPAHRLJTM-QWRGUYRKSA-N 2 0 351.426 0.345 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283245 855616088 /nfs/dbraw/zinc/61/60/88/855616088.db2.gz HPYUGYSWNDKXHK-RKNYENMMSA-N 2 0 356.467 0.589 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccsc2)C1 ZINC001219615849 855734814 /nfs/dbraw/zinc/73/48/14/855734814.db2.gz GJUXFGOMXSHSFI-WBTNSWJXSA-N 2 0 370.494 0.391 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccsc2)C1 ZINC001219615846 855735024 /nfs/dbraw/zinc/73/50/24/855735024.db2.gz GJUXFGOMXSHSFI-JYYAWHABSA-N 2 0 370.494 0.391 20 0 FCADRP Cc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219620280 855738365 /nfs/dbraw/zinc/73/83/65/855738365.db2.gz YWPFILCEYFQTIW-YQQAZPJKSA-N 2 0 355.479 0.734 20 0 FCADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635213 855747687 /nfs/dbraw/zinc/74/76/87/855747687.db2.gz WNXMQGXNTPOCKJ-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750855 855798714 /nfs/dbraw/zinc/79/87/14/855798714.db2.gz JDKPVJGNSGCHTF-AWEZNQCLSA-N 2 0 362.865 0.872 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796809 855817685 /nfs/dbraw/zinc/81/76/85/855817685.db2.gz RBRSMRULEDBOJV-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800405 855819821 /nfs/dbraw/zinc/81/98/21/855819821.db2.gz JLSUUXXXJFFTKR-KGLIPLIRSA-N 2 0 355.479 0.711 20 0 FCADRP [NH3+][C@H]1CCCN([C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c2ccsc2)C1 ZINC001219813154 855827582 /nfs/dbraw/zinc/82/75/82/855827582.db2.gz OTSJYEBMEVAGKZ-OVWQWFNUSA-N 2 0 364.515 0.565 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825909 855834062 /nfs/dbraw/zinc/83/40/62/855834062.db2.gz NPLRMQBYMJLZST-GJZGRUSLSA-N 2 0 358.467 0.695 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219829743 855835195 /nfs/dbraw/zinc/83/51/95/855835195.db2.gz CMAVHFHBIQCWQS-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP [NH3+][C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834321 855837238 /nfs/dbraw/zinc/83/72/38/855837238.db2.gz PLPWOXCCTOXLRU-MZMPZRCHSA-N 2 0 351.422 0.207 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001219837855 855839399 /nfs/dbraw/zinc/83/93/99/855839399.db2.gz MKSZXFVDJGHBNN-IGCXYCKISA-N 2 0 366.487 0.693 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc2c1CC[NH2+]C2 ZINC001219844738 855843362 /nfs/dbraw/zinc/84/33/62/855843362.db2.gz QKLONFNMJQDXRU-PXAZEXFGSA-N 2 0 351.472 0.519 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219847273 855844587 /nfs/dbraw/zinc/84/45/87/855844587.db2.gz BNBITXVXWHLTRK-MWDXBVQZSA-N 2 0 364.515 0.720 20 0 FCADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219854120 855847538 /nfs/dbraw/zinc/84/75/38/855847538.db2.gz DERGRQYMGKSRCS-QKPAOTATSA-N 2 0 350.488 0.188 20 0 FCADRP C[NH+](C)CCCC[C@H](N)C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939312 855888513 /nfs/dbraw/zinc/88/85/13/855888513.db2.gz ZVWBLWCVZOKICS-HNNXBMFYSA-N 2 0 356.492 0.497 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001220119195 855969483 /nfs/dbraw/zinc/96/94/83/855969483.db2.gz FBMKYPRSSCYWGU-IKGGRYGDSA-N 2 0 353.507 0.837 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161287 855988570 /nfs/dbraw/zinc/98/85/70/855988570.db2.gz BGSRFHGIVJEBRY-WZTLGTBRSA-N 2 0 352.479 0.336 20 0 FCADRP COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220303821 856053557 /nfs/dbraw/zinc/05/35/57/856053557.db2.gz FIFUBIIFDULUAK-CVEARBPZSA-N 2 0 354.495 0.365 20 0 FCADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1csc(N2CC[NH2+]CC2)n1 ZINC001220313814 856060618 /nfs/dbraw/zinc/06/06/18/856060618.db2.gz WQBKKUHPKIZZEO-UHFFFAOYSA-N 2 0 361.475 0.173 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220315701 856061175 /nfs/dbraw/zinc/06/11/75/856061175.db2.gz HFKNJKZMRPNDBW-JTDSTZFVSA-N 3 0 350.507 0.478 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387574 856100971 /nfs/dbraw/zinc/10/09/71/856100971.db2.gz LWMNAHNELZXUEL-JQHSSLGASA-N 2 0 353.507 0.839 20 0 FCADRP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220395161 856104421 /nfs/dbraw/zinc/10/44/21/856104421.db2.gz YPARUATXXIVGIJ-CQSZACIVSA-N 2 0 355.504 0.003 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)O1 ZINC001220481697 856147806 /nfs/dbraw/zinc/14/78/06/856147806.db2.gz NSDCMLAETPCZCX-CYRBOEJBSA-N 2 0 353.385 0.758 20 0 FCADRP N=C(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(Br)cc1F ZINC001220511396 856161588 /nfs/dbraw/zinc/16/15/88/856161588.db2.gz WBDODKYNRAYPLK-JTQLQIEISA-N 2 0 355.211 0.839 20 0 FCADRP Cc1ccc(CSC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519203 856164103 /nfs/dbraw/zinc/16/41/03/856164103.db2.gz GGTNKUNMSLCNIZ-INIZCTEOSA-N 2 0 355.504 0.664 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519662 856164358 /nfs/dbraw/zinc/16/43/58/856164358.db2.gz WWVFOQLUFSKDKM-INIZCTEOSA-N 2 0 371.503 0.364 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538209 856173873 /nfs/dbraw/zinc/17/38/73/856173873.db2.gz GFURMUHPFYDNGK-GNFNDJEDSA-N 2 0 351.495 0.518 20 0 FCADRP C[C@]1(C(=O)N[C@H](C[NH3+])c2ccc(Br)cc2)CC[NH2+]C[C@H]1O ZINC001220608868 856204487 /nfs/dbraw/zinc/20/44/87/856204487.db2.gz ZHMPEUUIVXOENP-NFAWXSAZSA-N 2 0 356.264 0.926 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220804788 856309329 /nfs/dbraw/zinc/30/93/29/856309329.db2.gz PNVLKUJFSHCOKZ-MNOVXSKESA-N 2 0 358.368 0.156 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001220849847 856336962 /nfs/dbraw/zinc/33/69/62/856336962.db2.gz SBEWURGSPACPJT-QGZVFWFLSA-N 2 0 355.527 0.158 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001220902794 856366117 /nfs/dbraw/zinc/36/61/17/856366117.db2.gz AGGWZNFDYGNZCK-INIZCTEOSA-N 2 0 365.499 0.313 20 0 FCADRP COc1ccc(F)c(CN2CCC(NC(=O)[C@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220911707 856370137 /nfs/dbraw/zinc/37/01/37/856370137.db2.gz UEHUZMCQVBDLHP-QGZVFWFLSA-N 2 0 352.454 0.981 20 0 FCADRP COc1ccnc(C2(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])CCOCC2)c1 ZINC001220992852 856411743 /nfs/dbraw/zinc/41/17/43/856411743.db2.gz VQOBCRRGTSAEHU-AWEZNQCLSA-N 2 0 368.503 0.274 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056129 856438760 /nfs/dbraw/zinc/43/87/60/856438760.db2.gz GJPJDKCWPSXNMI-ULQDDVLXSA-N 2 0 354.495 0.380 20 0 FCADRP COc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1 ZINC001221060762 856439285 /nfs/dbraw/zinc/43/92/85/856439285.db2.gz MWUCFKMYRDKFCV-INIZCTEOSA-N 2 0 350.463 0.487 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221153846 856486662 /nfs/dbraw/zinc/48/66/62/856486662.db2.gz RNOSBERFFFNCTH-AWEZNQCLSA-N 2 0 365.503 0.624 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001221188594 856507257 /nfs/dbraw/zinc/50/72/57/856507257.db2.gz YLCIJJIHZACBRP-GJZGRUSLSA-N 2 0 368.503 0.481 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)[C@H]2C1 ZINC001279269100 862804316 /nfs/dbraw/zinc/80/43/16/862804316.db2.gz JXQXRUBAXOFZFA-QAETUUGQSA-N 2 0 351.491 0.775 20 0 FCADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001221244026 856527349 /nfs/dbraw/zinc/52/73/49/856527349.db2.gz OZFHBBGLFYPHDS-SMDDNHRTSA-N 2 0 352.401 0.763 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H](N)CCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221260139 856532424 /nfs/dbraw/zinc/53/24/24/856532424.db2.gz IUSKYGPGYFWNBD-PRHODGIISA-N 2 0 364.418 0.343 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001221388659 856558019 /nfs/dbraw/zinc/55/80/19/856558019.db2.gz DYIWIHSOTFHLBX-ZDUSSCGKSA-N 3 0 357.499 0.890 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001221402419 856558918 /nfs/dbraw/zinc/55/89/18/856558918.db2.gz GTPKKWFMJQEYNT-UYSNPLJNSA-N 2 0 371.547 0.637 20 0 FCADRP C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001221848467 856707832 /nfs/dbraw/zinc/70/78/32/856707832.db2.gz PTVJIPJFFUIIAQ-KZNAEPCWSA-N 2 0 353.507 0.793 20 0 FCADRP Cc1ncc(CO)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1O ZINC001279326807 862831765 /nfs/dbraw/zinc/83/17/65/862831765.db2.gz TZLFCRZTFGVRTR-IYBDPMFKSA-N 2 0 350.463 0.035 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018260 856769893 /nfs/dbraw/zinc/76/98/93/856769893.db2.gz USQRYDLVYVDUMR-KZNAEPCWSA-N 2 0 353.507 0.648 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026879 856776248 /nfs/dbraw/zinc/77/62/48/856776248.db2.gz CMDRGVFMVASGAH-KZNAEPCWSA-N 2 0 353.507 0.793 20 0 FCADRP CN1CCN(c2ncc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)s2)CC1 ZINC001222091070 856799053 /nfs/dbraw/zinc/79/90/53/856799053.db2.gz OGZUMFPYDQKRKG-UHFFFAOYSA-N 2 0 350.536 0.422 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222656777 856861419 /nfs/dbraw/zinc/86/14/19/856861419.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 2 0 353.507 0.791 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891546 856880391 /nfs/dbraw/zinc/88/03/91/856880391.db2.gz DUHFPKWBUKVTDE-HFTRVMKXSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@H]2C1 ZINC001223430501 856915533 /nfs/dbraw/zinc/91/55/33/856915533.db2.gz LWLKGGHDKWKAHS-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001279363468 862850324 /nfs/dbraw/zinc/85/03/24/862850324.db2.gz SUUQRNQQEUSKTD-LVQVYYBASA-N 2 0 357.520 0.152 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223962161 856953807 /nfs/dbraw/zinc/95/38/07/856953807.db2.gz JAZRGNZTKSKRQL-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224139860 856962146 /nfs/dbraw/zinc/96/21/46/856962146.db2.gz DVQSSVYQCALBFZ-KSZLIROESA-N 2 0 353.507 0.914 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001225347046 857036348 /nfs/dbraw/zinc/03/63/48/857036348.db2.gz VIKJHSMJXGNWNJ-UPJWGTAASA-N 2 0 366.491 0.588 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001226767891 857124786 /nfs/dbraw/zinc/12/47/86/857124786.db2.gz YTVLYVYBOUJNQK-ZIAGYGMSSA-N 2 0 360.524 0.037 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001227057701 857139489 /nfs/dbraw/zinc/13/94/89/857139489.db2.gz ZDOSYJKVNUJFGJ-BZUAXINKSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001228255483 857198353 /nfs/dbraw/zinc/19/83/53/857198353.db2.gz XYRHAFGHIAAEJI-GVDBMIGSSA-N 2 0 351.495 0.603 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001228365380 857206401 /nfs/dbraw/zinc/20/64/01/857206401.db2.gz DLELVBCUFGWEPD-HUUCEWRRSA-N 2 0 359.536 0.780 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228593964 857217653 /nfs/dbraw/zinc/21/76/53/857217653.db2.gz HWXFRMFNWXZCGL-RBSFLKMASA-N 2 0 360.524 0.037 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001228603712 857218253 /nfs/dbraw/zinc/21/82/53/857218253.db2.gz SEQQYRBIGPGIDW-USXIJHARSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001228603128 857218438 /nfs/dbraw/zinc/21/84/38/857218438.db2.gz NQACFKFEQZUUJW-USXIJHARSA-N 2 0 350.507 0.871 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229214350 857258355 /nfs/dbraw/zinc/25/83/55/857258355.db2.gz PLBARLKWCQWXDM-GVDBMIGSSA-N 2 0 351.495 0.603 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001229390075 857268670 /nfs/dbraw/zinc/26/86/70/857268670.db2.gz YAJSBGVJQPVPRA-IAGOWNOFSA-N 2 0 357.495 0.123 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229725047 857284436 /nfs/dbraw/zinc/28/44/36/857284436.db2.gz WQILIMCWFJLEBH-NUEKZKHPSA-N 2 0 350.463 0.786 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229877359 857291116 /nfs/dbraw/zinc/29/11/16/857291116.db2.gz RFEDPQNDPKIDAF-BFHYXJOUSA-N 2 0 355.483 0.189 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138136 857306579 /nfs/dbraw/zinc/30/65/79/857306579.db2.gz HGPFBBLDBYWQNU-ARFHVFGLSA-N 2 0 353.511 0.663 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147757 857308247 /nfs/dbraw/zinc/30/82/47/857308247.db2.gz OVAGZMUPYWSVLB-HZPDHXFCSA-N 2 0 353.511 0.807 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257383 857318819 /nfs/dbraw/zinc/31/88/19/857318819.db2.gz QJPKCYXAZHUYHE-ZIAGYGMSSA-N 2 0 353.467 0.074 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCOC[C@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC001235511500 857426659 /nfs/dbraw/zinc/42/66/59/857426659.db2.gz SGRWNWZLZLEISU-GOSISDBHSA-N 2 0 351.422 0.999 20 0 FCADRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(C)c1OCCO ZINC001235871194 857433344 /nfs/dbraw/zinc/43/33/44/857433344.db2.gz RRSRUPPIRRAHKF-UHFFFAOYSA-N 2 0 350.507 0.259 20 0 FCADRP Fc1c(CN2CC[NH2+]CCNCC[NH2+]CC2)ccnc1Br ZINC001235871870 857433718 /nfs/dbraw/zinc/43/37/18/857433718.db2.gz ZYMXUHXDFUIPMX-UHFFFAOYSA-N 2 0 360.275 0.568 20 0 FCADRP COc1ccc(CCN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236309916 857437754 /nfs/dbraw/zinc/43/77/54/857437754.db2.gz PMHLVDGRRGDICJ-UHFFFAOYSA-N 2 0 352.479 0.362 20 0 FCADRP COc1cc(O)cc(OC)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311265 857438770 /nfs/dbraw/zinc/43/87/70/857438770.db2.gz PVJUOSBCMLSFGI-UHFFFAOYSA-N 2 0 354.451 0.025 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc2c(c1)OCCCO2 ZINC001236311042 857438823 /nfs/dbraw/zinc/43/88/23/857438823.db2.gz PBNLUGCJPRZJPB-UHFFFAOYSA-N 2 0 350.463 0.464 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(Br)ccn1 ZINC001236312016 857439688 /nfs/dbraw/zinc/43/96/88/857439688.db2.gz ZJXWYPKNMFSHHI-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP COc1nc(OC)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1Cl ZINC001236313879 857439696 /nfs/dbraw/zinc/43/96/96/857439696.db2.gz CLBWJDHRUIVSBW-UHFFFAOYSA-N 2 0 373.885 0.368 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1nc(C(F)(F)F)cs1 ZINC001236311764 857439807 /nfs/dbraw/zinc/43/98/07/857439807.db2.gz VIZGPYQUDFKHRU-UHFFFAOYSA-N 2 0 353.414 0.778 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(O)cc(Br)c1 ZINC001236312746 857439903 /nfs/dbraw/zinc/43/99/03/857439903.db2.gz YLMBPNVFHBMLQM-UHFFFAOYSA-N 2 0 373.295 0.771 20 0 FCADRP COC(=O)c1c(Cl)cccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236313885 857439947 /nfs/dbraw/zinc/43/99/47/857439947.db2.gz CRSSTUQFRRJSCY-UHFFFAOYSA-N 2 0 370.881 0.742 20 0 FCADRP N[C@@H]1NC(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385761 857440882 /nfs/dbraw/zinc/44/08/82/857440882.db2.gz FZGFSKRVWRAMEY-QGZVFWFLSA-N 2 0 355.552 0.430 20 0 FCADRP CN(C)C(=O)CN1[C@H]2COC[C@@H]1CN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001279491029 862912850 /nfs/dbraw/zinc/91/28/50/862912850.db2.gz ARARKGCNULFJQV-CALCHBBNSA-N 2 0 352.523 0.582 20 0 FCADRP O=S(=O)(Nc1cccnc1OCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001237541985 857454055 /nfs/dbraw/zinc/45/40/55/857454055.db2.gz NTZFXWHHYDXEMJ-UHFFFAOYSA-N 2 0 354.476 0.954 20 0 FCADRP [NH3+]CCS(=O)(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001237793729 857458005 /nfs/dbraw/zinc/45/80/05/857458005.db2.gz KQCKGSBYMULRQC-UHFFFAOYSA-N 2 0 366.409 0.811 20 0 FCADRP O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cc2o1 ZINC001238243744 857466269 /nfs/dbraw/zinc/46/62/69/857466269.db2.gz VYNYPIORNXBNHE-NSHDSACASA-N 2 0 366.443 0.686 20 0 FCADRP COc1ccc(CC2(NS(=O)(=O)[C@H]3CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001238814408 857480337 /nfs/dbraw/zinc/48/03/37/857480337.db2.gz UOIRRTAFYJGGHX-INIZCTEOSA-N 2 0 353.488 0.641 20 0 FCADRP COc1cccc(C2(NS(=O)(=O)C3CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001238849228 857484799 /nfs/dbraw/zinc/48/47/99/857484799.db2.gz DNOSHWFWNTZEOR-UHFFFAOYSA-N 2 0 353.488 0.945 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001238846629 857485040 /nfs/dbraw/zinc/48/50/40/857485040.db2.gz TZDYGOWKCZGVAU-UHFFFAOYSA-N 2 0 366.531 0.913 20 0 FCADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC001238878732 857485853 /nfs/dbraw/zinc/48/58/53/857485853.db2.gz KUMSMZSYCQTOEF-UHFFFAOYSA-N 2 0 351.885 0.656 20 0 FCADRP CN(C)S(=O)(=O)N1CCC2(C1)CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001279501547 862918757 /nfs/dbraw/zinc/91/87/57/862918757.db2.gz IGSLRCAVFGVULQ-INIZCTEOSA-N 2 0 358.552 0.923 20 0 FCADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001239082879 857510315 /nfs/dbraw/zinc/51/03/15/857510315.db2.gz ZJNUJVOMIYFMBM-AWEZNQCLSA-N 2 0 353.492 0.423 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001239097164 857512584 /nfs/dbraw/zinc/51/25/84/857512584.db2.gz PRSSEXYNHUJUCE-UHFFFAOYSA-N 2 0 358.208 0.635 20 0 FCADRP Cc1cccc(C)c1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131825 857517747 /nfs/dbraw/zinc/51/77/47/857517747.db2.gz VMTMFFIATPGBKW-UHFFFAOYSA-N 2 0 356.492 0.108 20 0 FCADRP CCOC(=O)[C@@H](CCSC)NC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239218223 857524340 /nfs/dbraw/zinc/52/43/40/857524340.db2.gz XEYYKVPVKBJHFX-UONOGXRCSA-N 2 0 372.535 0.845 20 0 FCADRP [NH3+]CCNC(=S)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239376790 857526412 /nfs/dbraw/zinc/52/64/12/857526412.db2.gz RWSZTXRUBVNJSI-LSDHHAIUSA-N 2 0 350.488 0.868 20 0 FCADRP COc1ccccc1CNC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239295168 857526545 /nfs/dbraw/zinc/52/65/45/857526545.db2.gz GHKJSRZDDAPARD-UHFFFAOYSA-N 2 0 351.451 0.021 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)Nc1cc(F)ccc1F ZINC001239451018 857529391 /nfs/dbraw/zinc/52/93/91/857529391.db2.gz JDTIAUIOEOFSLW-UHFFFAOYSA-N 2 0 359.446 0.777 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(F)c2NC[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245968484 857561903 /nfs/dbraw/zinc/56/19/03/857561903.db2.gz SFWZZCVKEMTKPY-KGLIPLIRSA-N 2 0 352.454 0.641 20 0 FCADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245987037 857562765 /nfs/dbraw/zinc/56/27/65/857562765.db2.gz ZRXVHXQAWNRHNM-YESZJQIVSA-N 2 0 351.491 0.956 20 0 FCADRP O[C@@]1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246053738 857567391 /nfs/dbraw/zinc/56/73/91/857567391.db2.gz TVWQDMGUJGWKEP-IBGZPJMESA-N 3 0 354.539 0.125 20 0 FCADRP O=C([C@@H]1C[C@@H](NC[C@@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246110994 857568897 /nfs/dbraw/zinc/56/88/97/857568897.db2.gz JSMUAXZAHSZPMQ-NTZNESFSSA-N 2 0 352.426 0.381 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CN1)N1CCSC1 ZINC001246143199 857569553 /nfs/dbraw/zinc/56/95/53/857569553.db2.gz UVFVBBLGMXJLQP-VYDXJSESSA-N 2 0 363.531 0.451 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246159695 857570240 /nfs/dbraw/zinc/57/02/40/857570240.db2.gz ZFTDUEQCDPKRLQ-IMBNWFMCSA-N 3 0 351.491 0.807 20 0 FCADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246206941 857570283 /nfs/dbraw/zinc/57/02/83/857570283.db2.gz LOXRRFRTSGIUTN-IHRRRGAJSA-N 2 0 372.535 0.289 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C[C@H]1C(=O)OC ZINC001246215922 857571426 /nfs/dbraw/zinc/57/14/26/857571426.db2.gz SZKHLNUNWQADOS-DAXOMENPSA-N 2 0 353.463 0.143 20 0 FCADRP O=C([C@@H]1C[C@@H](NC2(C(F)(F)F)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246261006 857572631 /nfs/dbraw/zinc/57/26/31/857572631.db2.gz OVIIDVYPZPIUKB-MNOVXSKESA-N 2 0 352.426 0.524 20 0 FCADRP O=S1(=O)CCCCN1c1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246432186 857579579 /nfs/dbraw/zinc/57/95/79/857579579.db2.gz CSEOXGAWBCVQME-INIZCTEOSA-N 2 0 364.515 0.800 20 0 FCADRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604001 857585730 /nfs/dbraw/zinc/58/57/30/857585730.db2.gz PYLLODOUQMOZOO-ILXRZTDVSA-N 2 0 353.463 0.287 20 0 FCADRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604003 857586388 /nfs/dbraw/zinc/58/63/88/857586388.db2.gz PYLLODOUQMOZOO-KKUMJFAQSA-N 2 0 353.463 0.287 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246926419 857606726 /nfs/dbraw/zinc/60/67/26/857606726.db2.gz SOSOSGYJQPXCLD-HNNXBMFYSA-N 2 0 354.445 0.938 20 0 FCADRP CN(C)C1(C[NH2+]C[C@H](O)COCC(F)(F)C(F)F)CC[NH+](C)CC1 ZINC001251622497 857735848 /nfs/dbraw/zinc/73/58/48/857735848.db2.gz NRHVRVBHKONPQJ-LBPRGKRZSA-N 2 0 359.408 0.880 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001253186630 857870398 /nfs/dbraw/zinc/87/03/98/857870398.db2.gz QNRGSHLQVSWIIJ-INIZCTEOSA-N 2 0 351.495 0.213 20 0 FCADRP CC[NH+](CC)C[C@H](O)CNc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001253193890 857871598 /nfs/dbraw/zinc/87/15/98/857871598.db2.gz GODSPIXWWBTENW-LJQANCHMSA-N 2 0 350.507 0.916 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253389743 857885301 /nfs/dbraw/zinc/88/53/01/857885301.db2.gz CGZIZTGFCQCHRP-FPCVCCKLSA-N 2 0 355.479 0.094 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1CCN(C(=O)C2CCOCC2)CC1 ZINC001253410702 857887667 /nfs/dbraw/zinc/88/76/67/857887667.db2.gz QOHBPZYICBGMIK-KRWDZBQOSA-N 2 0 355.523 0.990 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517169 857975582 /nfs/dbraw/zinc/97/55/82/857975582.db2.gz FFRMSFIMBTYEII-PKOBYXMFSA-N 2 0 352.523 0.631 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803436 857986276 /nfs/dbraw/zinc/98/62/76/857986276.db2.gz BELBVWYUSVLBRZ-OLZOCXBDSA-N 2 0 357.451 0.492 20 0 FCADRP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254858899 857989393 /nfs/dbraw/zinc/98/93/93/857989393.db2.gz IMVDWKIDQMETHK-FJIDUMEYSA-N 2 0 371.547 0.889 20 0 FCADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969349 858042858 /nfs/dbraw/zinc/04/28/58/858042858.db2.gz YOHYCJMNHHYZSX-RDJZCZTQSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256344750 858071808 /nfs/dbraw/zinc/07/18/08/858071808.db2.gz PGPPJUUEHLULOV-SFHVURJKSA-N 2 0 354.539 0.973 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CC3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC001279617290 862984156 /nfs/dbraw/zinc/98/41/56/862984156.db2.gz YJMPVDUMIWNZBC-DLBZAZTESA-N 2 0 358.552 0.226 20 0 FCADRP CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256688160 858095518 /nfs/dbraw/zinc/09/55/18/858095518.db2.gz RNIQPBLOUXSYPM-LBDPXKHJSA-N 2 0 354.495 0.234 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[C@H]1C(=O)OC ZINC001257724174 858157089 /nfs/dbraw/zinc/15/70/89/858157089.db2.gz MQAFSAXWLWIEAK-ARFHVFGLSA-N 2 0 355.479 0.344 20 0 FCADRP COC(=O)[C@@H]1CC[C@H](N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257741496 858158638 /nfs/dbraw/zinc/15/86/38/858158638.db2.gz UNAYCWRYYHIOFB-ARFHVFGLSA-N 2 0 357.495 0.543 20 0 FCADRP COCCCC[NH+]1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279728385 863028681 /nfs/dbraw/zinc/02/86/81/863028681.db2.gz ZZUJAMBLZCWWQD-KRWDZBQOSA-N 2 0 353.507 0.962 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1ccccc1C[NH3+] ZINC001261481043 858563108 /nfs/dbraw/zinc/56/31/08/858563108.db2.gz JSGFWEWZAJTQCJ-UHFFFAOYSA-N 2 0 365.503 0.999 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC001261522662 858578752 /nfs/dbraw/zinc/57/87/52/858578752.db2.gz AIXPVHBKFDSALE-GJYPPUQNSA-N 2 0 350.507 0.810 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC001262064423 858769773 /nfs/dbraw/zinc/76/97/73/858769773.db2.gz ZVTFSSPTFMOQMF-FPCVCCKLSA-N 2 0 354.495 0.093 20 0 FCADRP COc1cc(CNC(=O)[C@H]2C[NH2+]CCN2C)ccc1OCC[NH+](C)C ZINC001263096174 859100051 /nfs/dbraw/zinc/10/00/51/859100051.db2.gz JKUQXLVYRJCVRX-OAHLLOKOSA-N 2 0 350.463 0.155 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264100891 859311732 /nfs/dbraw/zinc/31/17/32/859311732.db2.gz KXHXPTXEDXNOAH-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655899 859416712 /nfs/dbraw/zinc/41/67/12/859416712.db2.gz RVMGMFWVTXFHQP-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489662 859769731 /nfs/dbraw/zinc/76/97/31/859769731.db2.gz IDHCUFDNLBAODA-QFBILLFUSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H](C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1)[NH+]1CCCC1 ZINC001270491930 859772683 /nfs/dbraw/zinc/77/26/83/859772683.db2.gz ZDJUXXVHVHTQHU-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001272821949 860272561 /nfs/dbraw/zinc/27/25/61/860272561.db2.gz UKKGVNULMRDFNF-BRWVUGGUSA-N 2 0 350.507 0.870 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)[NH+](C)C ZINC001273182383 860401598 /nfs/dbraw/zinc/40/15/98/860401598.db2.gz CAHIZCZJYMKTKV-JKSUJKDBSA-N 2 0 352.523 0.879 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2CC1 ZINC001273218298 860412500 /nfs/dbraw/zinc/41/25/00/860412500.db2.gz SPPKEEKAKKHBJN-BBWFWOEESA-N 2 0 355.479 0.108 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@H]3CC[N@H+](C)C3)(C1)C2 ZINC001273452915 860494024 /nfs/dbraw/zinc/49/40/24/860494024.db2.gz FJVHKYURFYUAEZ-MNNVXMFVSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](C)C1)C2 ZINC001273834944 860613329 /nfs/dbraw/zinc/61/33/29/860613329.db2.gz JHEZSBDNBAWQDW-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(O)CC[NH+](C)CC1 ZINC001274202152 860706066 /nfs/dbraw/zinc/70/60/66/860706066.db2.gz AFXNHDCYNCWQIM-MQVJKMGUSA-N 2 0 355.479 0.175 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001274409445 860745179 /nfs/dbraw/zinc/74/51/79/860745179.db2.gz VDVMADKSIRVIAY-HDICACEKSA-N 2 0 352.523 0.726 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001275053822 860920169 /nfs/dbraw/zinc/92/01/69/860920169.db2.gz QOLRAURYFXOECR-LJQANCHMSA-N 2 0 354.539 0.973 20 0 FCADRP CC[C@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275068595 860928365 /nfs/dbraw/zinc/92/83/65/860928365.db2.gz ITAAQTBANHRWJG-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275555432 861126071 /nfs/dbraw/zinc/12/60/71/861126071.db2.gz BFXSUKICHYVTIY-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556882 861127865 /nfs/dbraw/zinc/12/78/65/861127865.db2.gz PRXOGOYOXHTVCM-IBGZPJMESA-N 2 0 350.507 0.777 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736123 861178821 /nfs/dbraw/zinc/17/88/21/861178821.db2.gz BHELYHMTQNLNQO-RDTXWAMCSA-N 2 0 353.463 0.241 20 0 FCADRP CCNC(=O)CN1CC2(CCC1=O)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275737688 861179767 /nfs/dbraw/zinc/17/97/67/861179767.db2.gz NONSUFCWBAURSQ-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737670 861180660 /nfs/dbraw/zinc/18/06/60/861180660.db2.gz NEQZCYFRBWYFBY-KRWDZBQOSA-N 2 0 357.520 0.488 20 0 FCADRP CN(C)C(=O)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737653 861180767 /nfs/dbraw/zinc/18/07/67/861180767.db2.gz NBXUDNRXADJBMI-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001279913682 863132367 /nfs/dbraw/zinc/13/23/67/863132367.db2.gz HISXQOMORMDSEO-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)CCNC(=S)N1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001279975086 863160769 /nfs/dbraw/zinc/16/07/69/863160769.db2.gz AOJHPHSCHKAEBP-HNNXBMFYSA-N 2 0 365.547 0.051 20 0 FCADRP COC(C)(C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CCN1CC2 ZINC001280056632 863227645 /nfs/dbraw/zinc/22/76/45/863227645.db2.gz SNTBASMZVFZOON-ZACQAIPSSA-N 2 0 351.491 0.807 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280125682 863276271 /nfs/dbraw/zinc/27/62/71/863276271.db2.gz MZGBFIUIITYGAQ-SQNIBIBYSA-N 2 0 351.491 0.570 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)CC1 ZINC001280125449 863276595 /nfs/dbraw/zinc/27/65/95/863276595.db2.gz JGJYCJBHQGNDRU-BEFAXECRSA-N 2 0 350.482 0.657 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)CC1 ZINC001280126686 863278006 /nfs/dbraw/zinc/27/80/06/863278006.db2.gz ZHCJMVWXEHOMSD-MLHJIOFPSA-N 2 0 351.491 0.305 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1CCSC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001280126259 863278142 /nfs/dbraw/zinc/27/81/42/863278142.db2.gz UXBGGRGCRWUQDL-OAHLLOKOSA-N 2 0 368.547 0.340 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1CCC[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280137572 863288376 /nfs/dbraw/zinc/28/83/76/863288376.db2.gz KVUKBTGBFINDHL-VQIMIIECSA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280211393 863340287 /nfs/dbraw/zinc/34/02/87/863340287.db2.gz SKHSANSGBQCFNM-RHSMWYFYSA-N 2 0 357.520 0.201 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280218981 863344242 /nfs/dbraw/zinc/34/42/42/863344242.db2.gz LZOMUGHEXOHZQZ-BZSNNMDCSA-N 2 0 350.507 0.334 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257152 863364539 /nfs/dbraw/zinc/36/45/39/863364539.db2.gz GJWYJCLEYBDPTQ-DDBAPUKQSA-N 2 0 351.491 0.570 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001281629418 863551904 /nfs/dbraw/zinc/55/19/04/863551904.db2.gz NBTAJOGTVPNSLV-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001282306968 864180850 /nfs/dbraw/zinc/18/08/50/864180850.db2.gz QCONFEFQSDMIQS-IKGGRYGDSA-N 2 0 350.507 0.587 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC001351364969 866840601 /nfs/dbraw/zinc/84/06/01/866840601.db2.gz VWKSXJKYZWDMAT-GJZGRUSLSA-N 2 0 350.467 0.508 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001351578235 866906615 /nfs/dbraw/zinc/90/66/15/866906615.db2.gz GFRRXZPXQARKRT-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353149373 867361726 /nfs/dbraw/zinc/36/17/26/867361726.db2.gz LRJQDNCUOQSKPL-OKZBNKHCSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001353188276 867372618 /nfs/dbraw/zinc/37/26/18/867372618.db2.gz NCMFUZULXRWLTL-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001353324132 867396450 /nfs/dbraw/zinc/39/64/50/867396450.db2.gz CKRPUJWLONGDHQ-CALCHBBNSA-N 2 0 350.507 0.955 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316760448 867460221 /nfs/dbraw/zinc/46/02/21/867460221.db2.gz NNDZTAYEXCHUCL-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001317077662 867518643 /nfs/dbraw/zinc/51/86/43/867518643.db2.gz DOCIUNDEXADXFM-FPYNETTCSA-N 2 0 364.412 0.630 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001318295680 867637149 /nfs/dbraw/zinc/63/71/49/867637149.db2.gz ZSJLGWAEZKINIR-OAHLLOKOSA-N 2 0 353.511 0.700 20 0 FCADRP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473329 868008842 /nfs/dbraw/zinc/00/88/42/868008842.db2.gz RCOIDSDKSVPLSR-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608434 868033512 /nfs/dbraw/zinc/03/35/12/868033512.db2.gz NZOQZKQGEQYAEI-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[C@H](NC[C@@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001357209251 868087192 /nfs/dbraw/zinc/08/71/92/868087192.db2.gz FWNGDRRUMJVNPK-KSZLIROESA-N 2 0 354.539 0.610 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@H]21 ZINC001357591231 868139130 /nfs/dbraw/zinc/13/91/30/868139130.db2.gz RDKFRLNZORTFKL-RBSFLKMASA-N 2 0 350.463 0.407 20 0 FCADRP Cc1ccc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC001324883925 869703646 /nfs/dbraw/zinc/70/36/46/869703646.db2.gz YYTHMQRHQUXYPO-UHFFFAOYSA-N 2 0 354.520 0.967 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325714109 869996836 /nfs/dbraw/zinc/99/68/36/869996836.db2.gz WXJYVMWVBVSKED-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001325715711 869998498 /nfs/dbraw/zinc/99/84/98/869998498.db2.gz CWUBXAJQEKGZNT-UAGQMJEPSA-N 2 0 350.507 0.905 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[NH2+]CC1 ZINC001325743113 870014901 /nfs/dbraw/zinc/01/49/01/870014901.db2.gz JUQABILDQPPQOW-QWRGUYRKSA-N 2 0 353.385 0.964 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCCCC1 ZINC001327504183 870912704 /nfs/dbraw/zinc/91/27/04/870912704.db2.gz NZAUXNNYNAPXTN-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592361 871531037 /nfs/dbraw/zinc/53/10/37/871531037.db2.gz SCPPQRLOTPKTFX-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346265015 871736813 /nfs/dbraw/zinc/73/68/13/871736813.db2.gz RTZNBFVSMILSBK-HOTGVXAUSA-N 2 0 353.511 0.761 20 0 FCADRP CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001346453942 871848150 /nfs/dbraw/zinc/84/81/50/871848150.db2.gz UTVFTOGQMSEMCS-YYIAUSFCSA-N 2 0 352.479 0.401 20 0 FCADRP COc1ccc([C@H](CCO)NC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC001346569524 871910016 /nfs/dbraw/zinc/91/00/16/871910016.db2.gz JTOQMRYCEVBTDK-KRWDZBQOSA-N 2 0 350.463 0.841 20 0 FCADRP COC[C@H]1C[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC001329271854 871922159 /nfs/dbraw/zinc/92/21/59/871922159.db2.gz SXUYFTNYHIDVFX-BRSBDYLESA-N 2 0 374.598 0.858 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC001329499376 872072172 /nfs/dbraw/zinc/07/21/72/872072172.db2.gz OGEKTZHKUFNCIF-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC001329499377 872072334 /nfs/dbraw/zinc/07/23/34/872072334.db2.gz OGEKTZHKUFNCIF-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001330006949 872415088 /nfs/dbraw/zinc/41/50/88/872415088.db2.gz CVRLSMILIIUXAI-BBWFWOEESA-N 2 0 353.532 0.871 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)CC[C@@H]21 ZINC001330619680 872736255 /nfs/dbraw/zinc/73/62/55/872736255.db2.gz RWNNINSFGPWVTA-UTUOFQBUSA-N 2 0 354.405 0.916 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453746 873110783 /nfs/dbraw/zinc/11/07/83/873110783.db2.gz PLPPGTQPIFSWMQ-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001331705292 873206469 /nfs/dbraw/zinc/20/64/69/873206469.db2.gz BOKYJNWJPUNYBB-YUMQZZPRSA-N 2 0 350.320 0.477 20 0 FCADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H]1C ZINC001331906725 873299119 /nfs/dbraw/zinc/29/91/19/873299119.db2.gz VYQWBCUXIHNWHW-YESZJQIVSA-N 2 0 353.511 0.175 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331906302 873299317 /nfs/dbraw/zinc/29/93/17/873299317.db2.gz SUEWPGLPUYAALS-GVDBMIGSSA-N 2 0 353.511 0.352 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001332628401 873587641 /nfs/dbraw/zinc/58/76/41/873587641.db2.gz QAIQGZVHCZXKHT-HZMVEIRTSA-N 2 0 353.511 0.160 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001333262687 873881276 /nfs/dbraw/zinc/88/12/76/873881276.db2.gz RIESZAHYVCVVEX-KURKYZTESA-N 2 0 350.507 0.430 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917770 948828956 /nfs/dbraw/zinc/82/89/56/948828956.db2.gz AZQQSYOZMJJADJ-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575256544 949257198 /nfs/dbraw/zinc/25/71/98/949257198.db2.gz WDIJFBORTFFEOX-RYUDHWBXSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703147 949316222 /nfs/dbraw/zinc/31/62/22/949316222.db2.gz RVUSOSKLFNPEIG-GFCCVEGCSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704253 949376922 /nfs/dbraw/zinc/37/69/22/949376922.db2.gz BMKOKPBAGWYGNO-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706315 949455663 /nfs/dbraw/zinc/45/56/63/949455663.db2.gz LZIFSVLEVUDJHH-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574957396 949607340 /nfs/dbraw/zinc/60/73/40/949607340.db2.gz WZVMITSSOFWLRL-XJKCOSOUSA-N 2 0 357.462 0.801 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574957395 949610871 /nfs/dbraw/zinc/61/08/71/949610871.db2.gz WZVMITSSOFWLRL-WOSRLPQWSA-N 2 0 357.462 0.801 20 0 FCADRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718519 949787584 /nfs/dbraw/zinc/78/75/84/949787584.db2.gz YMFRGUQQNCFNRC-CYBMUJFWSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724066 949865847 /nfs/dbraw/zinc/86/58/47/949865847.db2.gz FCAOQWYRUPAPCR-ZDUSSCGKSA-N 2 0 374.493 0.920 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208961 950621676 /nfs/dbraw/zinc/62/16/76/950621676.db2.gz WEDOHKUTMFQMIN-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576209237 950626048 /nfs/dbraw/zinc/62/60/48/950626048.db2.gz ZSPAFPUMPKBQOL-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570988630 950788841 /nfs/dbraw/zinc/78/88/41/950788841.db2.gz LLYVWOVWAVYWDI-GDBMZVCRSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570988632 950789105 /nfs/dbraw/zinc/78/91/05/950789105.db2.gz LLYVWOVWAVYWDI-HOCLYGCPSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227920 950924026 /nfs/dbraw/zinc/92/40/26/950924026.db2.gz FSISQYZWTSWNQL-WFASDCNBSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[NH+](C)C ZINC001575082222 951731776 /nfs/dbraw/zinc/73/17/76/951731776.db2.gz VXXILBFWBFMGBU-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575092554 951794911 /nfs/dbraw/zinc/79/49/11/951794911.db2.gz DUGXEDJVSSTCST-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001571052411 951823228 /nfs/dbraw/zinc/82/32/28/951823228.db2.gz SUXAXAQWTJQFBY-UHFFFAOYSA-N 2 0 368.445 0.443 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575109562 951932292 /nfs/dbraw/zinc/93/22/92/951932292.db2.gz SMSKOZRZGKHHIU-XJKSGUPXSA-N 2 0 357.462 0.755 20 0 FCADRP Cc1cc(N2CC[C@@](C)(NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078952 952136038 /nfs/dbraw/zinc/13/60/38/952136038.db2.gz YSNDJUFNTOUPJN-RDTXWAMCSA-N 2 0 370.461 0.749 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1=O ZINC000291900610 214064282 /nfs/dbraw/zinc/06/42/82/214064282.db2.gz PVOZGGKYHHECMI-DOTOQJQBSA-N 2 0 364.465 0.955 20 0 FCADRP C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@@H](C)C[NH+](C)C)c1)C[NH+](C)C ZINC000293661348 214190962 /nfs/dbraw/zinc/19/09/62/214190962.db2.gz FTIWNVIHLBOLHN-HUUCEWRRSA-N 2 0 363.506 0.937 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)[C@H](C)CN2CCOCC2)cn2ccnc12 ZINC000294124873 214224359 /nfs/dbraw/zinc/22/43/59/214224359.db2.gz KYIVEQSYSBVDPN-CQSZACIVSA-N 2 0 359.430 0.760 20 0 FCADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000294752067 214263673 /nfs/dbraw/zinc/26/36/73/214263673.db2.gz WIBCMEZIULZQPN-YLJYHZDGSA-N 2 0 374.529 0.961 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961729 529797431 /nfs/dbraw/zinc/79/74/31/529797431.db2.gz IUSAIBMWFLCGDA-AHCXZYCDSA-N 2 0 360.502 0.624 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000930718822 674051129 /nfs/dbraw/zinc/05/11/29/674051129.db2.gz RKAPIGGXPCHLBP-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000331484362 215003114 /nfs/dbraw/zinc/00/31/14/215003114.db2.gz UPJFWOUYHPOVPW-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC[C@H]21 ZINC000331550779 215012797 /nfs/dbraw/zinc/01/27/97/215012797.db2.gz JGTFFAHAWXLZNJ-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562846 215015629 /nfs/dbraw/zinc/01/56/29/215015629.db2.gz SKKUKRAWWWLETD-DAYGRLMNSA-N 2 0 368.547 0.483 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331625454 215025093 /nfs/dbraw/zinc/02/50/93/215025093.db2.gz KOUHTLVOVXQOPV-CKEIUWERSA-N 2 0 354.520 0.235 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331649093 215029185 /nfs/dbraw/zinc/02/91/85/215029185.db2.gz QUSDALGFYDOMRC-CVEARBPZSA-N 2 0 351.495 0.454 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000331727518 215040118 /nfs/dbraw/zinc/04/01/18/215040118.db2.gz YMMDXBGQXBPMJH-VVLHAWIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000331783524 215046030 /nfs/dbraw/zinc/04/60/30/215046030.db2.gz MBZRMFZEQMLNIM-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000331770823 215044558 /nfs/dbraw/zinc/04/45/58/215044558.db2.gz IDVOGNKJVHAVFZ-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)CC1 ZINC000331770105 215044632 /nfs/dbraw/zinc/04/46/32/215044632.db2.gz DVORCPJOUZRGFC-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000331841839 215055679 /nfs/dbraw/zinc/05/56/79/215055679.db2.gz BQDTUPCKHIEJBZ-BRWVUGGUSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000332028190 215081361 /nfs/dbraw/zinc/08/13/61/215081361.db2.gz XYPQNPFIEACXLU-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000332063681 215086196 /nfs/dbraw/zinc/08/61/96/215086196.db2.gz RMYLHOSIMNXSBV-UKRRQHHQSA-N 2 0 350.507 0.964 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332061498 215086304 /nfs/dbraw/zinc/08/63/04/215086304.db2.gz YDMHQXLSEDKQRR-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@H]2C1 ZINC000332063682 215086485 /nfs/dbraw/zinc/08/64/85/215086485.db2.gz RMYLHOSIMNXSBV-ZFWWWQNUSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332133192 215099576 /nfs/dbraw/zinc/09/95/76/215099576.db2.gz IPVQGKPYBSLCIB-VXLLPVPCSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000332654498 215198515 /nfs/dbraw/zinc/19/85/15/215198515.db2.gz MEVXNIXKJFJHNQ-DJIMGWMZSA-N 2 0 350.507 0.620 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C[C@H]1N1CCOCC1 ZINC000333006799 215223069 /nfs/dbraw/zinc/22/30/69/215223069.db2.gz OWEJRIREAKATRQ-BRSBDYLESA-N 2 0 368.522 0.848 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000333007088 215223278 /nfs/dbraw/zinc/22/32/78/215223278.db2.gz AHQAIBFPHZHQQJ-IRXDYDNUSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@H]1C[NH+](CC2CC[NH+](CCN3CCCS3(=O)=O)CC2)C[C@H](C)O1 ZINC000333295064 215259738 /nfs/dbraw/zinc/25/97/38/215259738.db2.gz AYIOLSOLURZYHG-HOTGVXAUSA-N 2 0 359.536 0.843 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000333401809 215275657 /nfs/dbraw/zinc/27/56/57/215275657.db2.gz QBSRVYSVNJINCX-SJORKVTESA-N 2 0 365.522 0.570 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C[C@H]2[NH3+])cn1 ZINC000333591625 215299633 /nfs/dbraw/zinc/29/96/33/215299633.db2.gz PDDBOMHHDRLAQS-SQWLQELKSA-N 2 0 352.508 0.294 20 0 FCADRP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333824303 215323635 /nfs/dbraw/zinc/32/36/35/215323635.db2.gz LIPFAKGKNYZZKN-HZPDHXFCSA-N 2 0 353.511 0.570 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)N1CCOCC1 ZINC000333907576 215329218 /nfs/dbraw/zinc/32/92/18/215329218.db2.gz KHTDYLUVHCBEEP-KURKYZTESA-N 2 0 368.522 0.881 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCC1 ZINC000333929956 215331903 /nfs/dbraw/zinc/33/19/03/215331903.db2.gz YSKGLXRXGMPTHQ-HNNXBMFYSA-N 2 0 351.495 0.467 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000333929065 215331822 /nfs/dbraw/zinc/33/18/22/215331822.db2.gz XZDHJVDAPZTVBF-QGZVFWFLSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000333928515 215332161 /nfs/dbraw/zinc/33/21/61/215332161.db2.gz XKVPDJSMXIIUFT-TVFCKZIOSA-N 2 0 351.539 0.946 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000334076098 215341003 /nfs/dbraw/zinc/34/10/03/215341003.db2.gz UVUIWKWQDDZHFB-JKSUJKDBSA-N 2 0 353.511 0.711 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000285402825 213337652 /nfs/dbraw/zinc/33/76/52/213337652.db2.gz XIEFTXJJTAKDDB-KRWDZBQOSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086604 213281520 /nfs/dbraw/zinc/28/15/20/213281520.db2.gz PPASVVZKLIIMJW-YJBOKZPZSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000285088300 213280723 /nfs/dbraw/zinc/28/07/23/213280723.db2.gz WWDTWPWOPMZNMV-MRXNPFEDSA-N 2 0 350.438 0.755 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000285078104 213279544 /nfs/dbraw/zinc/27/95/44/213279544.db2.gz PGCJUCSKSABECQ-DOTOQJQBSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000285057039 213275400 /nfs/dbraw/zinc/27/54/00/213275400.db2.gz VULJGWHTFFNEMT-INIZCTEOSA-N 2 0 350.438 0.755 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284895159 213243940 /nfs/dbraw/zinc/24/39/40/213243940.db2.gz MBKJBBRMFXIJAX-UHFFFAOYSA-N 2 0 373.501 0.715 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000284650301 213189398 /nfs/dbraw/zinc/18/93/98/213189398.db2.gz SQAJONVPSLBZGV-MRXNPFEDSA-N 2 0 350.438 0.755 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000284436039 213138309 /nfs/dbraw/zinc/13/83/09/213138309.db2.gz LDVBKGFTIHLFLN-UHFFFAOYSA-N 2 0 359.474 0.373 20 0 FCADRP Cn1nccc1COCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000284075091 213068033 /nfs/dbraw/zinc/06/80/33/213068033.db2.gz WCRFMMVUKZEFCC-UHFFFAOYSA-N 2 0 372.473 0.660 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366595516 216002100 /nfs/dbraw/zinc/00/21/00/216002100.db2.gz GUDILJHSFNLXSD-ILXRZTDVSA-N 2 0 353.429 0.884 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791779 216032302 /nfs/dbraw/zinc/03/23/02/216032302.db2.gz DAGNRBXKCLVTEF-IRXDYDNUSA-N 2 0 366.506 0.251 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000366838096 216040640 /nfs/dbraw/zinc/04/06/40/216040640.db2.gz UPXYJKIPHPIXBG-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030318 216065506 /nfs/dbraw/zinc/06/55/06/216065506.db2.gz PYLPXXVQDJZHCM-HZPDHXFCSA-N 2 0 365.522 0.665 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174227 216087083 /nfs/dbraw/zinc/08/70/83/216087083.db2.gz PJPUNHBNQPYIFM-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000245540385 209370546 /nfs/dbraw/zinc/37/05/46/209370546.db2.gz KEYSQRDLTMYUNZ-BPQIPLTHSA-N 2 0 358.486 0.836 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000245386696 209366001 /nfs/dbraw/zinc/36/60/01/209366001.db2.gz PWXLWDXAZJJQKD-ZIFCJYIRSA-N 2 0 355.523 0.501 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237611578 209355386 /nfs/dbraw/zinc/35/53/86/209355386.db2.gz HUWILIWTDXYFIT-KBPBESRZSA-N 2 0 350.467 0.432 20 0 FCADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237607736 209355101 /nfs/dbraw/zinc/35/51/01/209355101.db2.gz LTBZINUUVOEIIM-GASCZTMLSA-N 2 0 364.494 0.822 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc2)CC1 ZINC000237213598 209349769 /nfs/dbraw/zinc/34/97/69/209349769.db2.gz JSFWZEDAAMMZAG-UHFFFAOYSA-N 2 0 359.518 0.459 20 0 FCADRP CN1CCN(C(=O)c2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000237200359 209349693 /nfs/dbraw/zinc/34/96/93/209349693.db2.gz CTRQKGDGDVEPLR-QGZVFWFLSA-N 2 0 360.458 0.781 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368705335 216285391 /nfs/dbraw/zinc/28/53/91/216285391.db2.gz ZRRATLFROAKYNH-PMPSAXMXSA-N 2 0 354.495 0.336 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000190211918 209268873 /nfs/dbraw/zinc/26/88/73/209268873.db2.gz VMVUEGQGECEIOI-UHFFFAOYSA-N 2 0 373.501 0.931 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369401758 216396600 /nfs/dbraw/zinc/39/66/00/216396600.db2.gz NSCXIXVRIPQLCS-QZTJIDSGSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402968 216398767 /nfs/dbraw/zinc/39/87/67/216398767.db2.gz SXRYYGCTCNBOHD-MSOLQXFVSA-N 2 0 366.554 0.044 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402970 216399285 /nfs/dbraw/zinc/39/92/85/216399285.db2.gz SXRYYGCTCNBOHD-ROUUACIJSA-N 2 0 366.554 0.044 20 0 FCADRP CC(C)C[C@H]1C(=O)NCCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000189846116 209262122 /nfs/dbraw/zinc/26/21/22/209262122.db2.gz IXRPMGIQFYKKMW-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000189442134 209251920 /nfs/dbraw/zinc/25/19/20/209251920.db2.gz PDXRXYCXVVLJGW-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000188660656 209233500 /nfs/dbraw/zinc/23/35/00/209233500.db2.gz YESWBIWZRWBCGB-OAHLLOKOSA-N 2 0 364.490 0.939 20 0 FCADRP [NH3+]Cc1cc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)co1 ZINC000188190945 209225880 /nfs/dbraw/zinc/22/58/80/209225880.db2.gz LDWBGYBERJIDBW-INIZCTEOSA-N 2 0 359.426 0.936 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000187980400 209221815 /nfs/dbraw/zinc/22/18/15/209221815.db2.gz FCZQYYVMEXPROB-OTWHNJEPSA-N 2 0 360.502 0.858 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000187947339 209221103 /nfs/dbraw/zinc/22/11/03/209221103.db2.gz NXMHSBVAOWJERE-FGTMMUONSA-N 2 0 374.485 0.377 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000187801999 209218643 /nfs/dbraw/zinc/21/86/43/209218643.db2.gz KETXZUCDGRCLAT-INIZCTEOSA-N 2 0 360.506 0.927 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000275550011 212049204 /nfs/dbraw/zinc/04/92/04/212049204.db2.gz SFATVHATWFDMSF-JKSUJKDBSA-N 2 0 364.465 0.976 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000414660827 245306569 /nfs/dbraw/zinc/30/65/69/245306569.db2.gz NPHHNGCYTVVNIT-KRWDZBQOSA-N 2 0 362.474 0.818 20 0 FCADRP COc1ccc(OC)c(C[N@H+](CCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414689869 245311918 /nfs/dbraw/zinc/31/19/18/245311918.db2.gz GUBJSUROKXUISX-OAHLLOKOSA-N 2 0 365.474 0.695 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000414851454 245325515 /nfs/dbraw/zinc/32/55/15/245325515.db2.gz JKJXJPSIRJHLLQ-RHSMWYFYSA-N 2 0 362.474 0.854 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000414901087 245330775 /nfs/dbraw/zinc/33/07/75/245330775.db2.gz IANJDBHYWZCOQM-ZBFHGGJFSA-N 2 0 359.474 0.779 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954527 245336999 /nfs/dbraw/zinc/33/69/99/245336999.db2.gz LIYQITMXISPMEB-LRDDRELGSA-N 2 0 358.442 0.706 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415323130 245383800 /nfs/dbraw/zinc/38/38/00/245383800.db2.gz GFMAIJVDAZHVBE-UHFFFAOYSA-N 2 0 373.501 0.632 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415329680 245386950 /nfs/dbraw/zinc/38/69/50/245386950.db2.gz JOPBZDYFZQFPJJ-OAHLLOKOSA-N 2 0 359.474 0.554 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179937 217106082 /nfs/dbraw/zinc/10/60/82/217106082.db2.gz XEFODQXLUBKVGV-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccn1 ZINC000183225485 209141821 /nfs/dbraw/zinc/14/18/21/209141821.db2.gz DGLNMKNLEUYZSM-MRXNPFEDSA-N 2 0 362.474 0.816 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000417130116 245672755 /nfs/dbraw/zinc/67/27/55/245672755.db2.gz ASTDEOSPKXTEHG-LESCRADOSA-N 2 0 365.522 0.664 20 0 FCADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000417784368 245724818 /nfs/dbraw/zinc/72/48/18/245724818.db2.gz AMLWRGRFGSXFGP-MRXNPFEDSA-N 2 0 355.527 0.992 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418306104 245776256 /nfs/dbraw/zinc/77/62/56/245776256.db2.gz QKGVUJZKHIJZLF-RHSMWYFYSA-N 2 0 367.444 0.615 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000418811280 245839595 /nfs/dbraw/zinc/83/95/95/245839595.db2.gz VQAJILAARPLCOM-OWCLPIDISA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCCCCC1 ZINC000418899000 245897693 /nfs/dbraw/zinc/89/76/93/245897693.db2.gz KDINLOUYRBZBIS-OAHLLOKOSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418912249 245905349 /nfs/dbraw/zinc/90/53/49/245905349.db2.gz DSLCWFZGZCTWHL-RKVPGOIHSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418964656 245930105 /nfs/dbraw/zinc/93/01/05/245930105.db2.gz NLZUQNYWDOAYEI-OAHLLOKOSA-N 2 0 362.474 0.583 20 0 FCADRP CCOC(=O)N1CCC(NC(=O)C[N@H+](C)CCCn2ccnc2)CC1 ZINC000181111933 209107459 /nfs/dbraw/zinc/10/74/59/209107459.db2.gz OPWZNFMVFLROHY-UHFFFAOYSA-N 2 0 351.451 0.942 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419152114 246020085 /nfs/dbraw/zinc/02/00/85/246020085.db2.gz OAUYCWSDYGWUNZ-UHOFOFEASA-N 2 0 350.438 0.535 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000419151136 246020186 /nfs/dbraw/zinc/02/01/86/246020186.db2.gz NDHGZJIOIHGATA-CZUORRHYSA-N 2 0 364.515 0.930 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000419153970 246020216 /nfs/dbraw/zinc/02/02/16/246020216.db2.gz PNBAGUXCJXILGX-MSOLQXFVSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000419162159 246025574 /nfs/dbraw/zinc/02/55/74/246025574.db2.gz TVENEXZTKCRWEX-INIZCTEOSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419145345 246015012 /nfs/dbraw/zinc/01/50/12/246015012.db2.gz AEYCLYCQLYBWFJ-SFHVURJKSA-N 2 0 360.502 0.735 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419146088 246015377 /nfs/dbraw/zinc/01/53/77/246015377.db2.gz HLRQEZNWVYUESP-BZUAXINKSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419149037 246017429 /nfs/dbraw/zinc/01/74/29/246017429.db2.gz DTCTZQBZHQUISG-SCTDSRPQSA-N 2 0 372.513 0.876 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419193876 246046308 /nfs/dbraw/zinc/04/63/08/246046308.db2.gz RRPCDTFFGHFJGD-AWEZNQCLSA-N 2 0 364.465 0.878 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165212 246029361 /nfs/dbraw/zinc/02/93/61/246029361.db2.gz FZKKCNJBXLSCCH-MSOLQXFVSA-N 2 0 360.502 0.767 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419170546 246031652 /nfs/dbraw/zinc/03/16/52/246031652.db2.gz NTNHZXKOYZCTCB-GOSISDBHSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419171220 246033323 /nfs/dbraw/zinc/03/33/23/246033323.db2.gz OLMXOAFXIHBTDP-SFHVURJKSA-N 2 0 358.486 0.489 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419176467 246035692 /nfs/dbraw/zinc/03/56/92/246035692.db2.gz ZFQLJXNJRGDOGC-HZPDHXFCSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@H]1C[NH3+] ZINC000419185113 246042267 /nfs/dbraw/zinc/04/22/67/246042267.db2.gz GVBBFCSACLYZEO-QAPCUYQASA-N 2 0 373.501 0.748 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419190065 246043986 /nfs/dbraw/zinc/04/39/86/246043986.db2.gz MKZBSDZRQXREMJ-QGZVFWFLSA-N 2 0 362.449 0.775 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]1 ZINC000419191102 246044708 /nfs/dbraw/zinc/04/47/08/246044708.db2.gz NRSZJKUYFLCZNF-UHFFFAOYSA-N 2 0 359.474 0.373 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419196449 246045167 /nfs/dbraw/zinc/04/51/67/246045167.db2.gz BAUMBNBGODEFPL-GDBMZVCRSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000419216203 246058529 /nfs/dbraw/zinc/05/85/29/246058529.db2.gz ZUILCZXEGXMBCI-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419222026 246061063 /nfs/dbraw/zinc/06/10/63/246061063.db2.gz WPOCOMGMHWQLBE-HOTGVXAUSA-N 2 0 374.485 0.344 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228595 246067472 /nfs/dbraw/zinc/06/74/72/246067472.db2.gz MLVAIFVONPNJSL-BQFCYCMXSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000419202229 246051522 /nfs/dbraw/zinc/05/15/22/246051522.db2.gz GPQJIFZWJRUVGB-LJQANCHMSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310348 246095019 /nfs/dbraw/zinc/09/50/19/246095019.db2.gz QZBHVVNBNPSBKE-BBRMVZONSA-N 2 0 366.506 0.739 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419336336 246103792 /nfs/dbraw/zinc/10/37/92/246103792.db2.gz ACXZHKZLAUUSJO-SJORKVTESA-N 2 0 368.522 0.354 20 0 FCADRP C[C@H](NC(=O)C(=O)N(C)CC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419291218 246089309 /nfs/dbraw/zinc/08/93/09/246089309.db2.gz WGHXJMQODXJQCI-ZDUSSCGKSA-N 2 0 365.453 0.172 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C)C[NH2+]1 ZINC000419363032 246117419 /nfs/dbraw/zinc/11/74/19/246117419.db2.gz CSENSDMUROZVRJ-CABCVRRESA-N 2 0 358.486 0.411 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419362162 246117518 /nfs/dbraw/zinc/11/75/18/246117518.db2.gz BGCCWAZHHQDVEJ-WMLDXEAASA-N 2 0 358.486 0.398 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)Cc2ccccc2C1 ZINC000419364118 246118340 /nfs/dbraw/zinc/11/83/40/246118340.db2.gz DJPDMJWKANRYJZ-UHFFFAOYSA-N 2 0 358.486 0.399 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419362158 246118427 /nfs/dbraw/zinc/11/84/27/246118427.db2.gz BGCCWAZHHQDVEJ-PBHICJAKSA-N 2 0 358.486 0.398 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373041 246122229 /nfs/dbraw/zinc/12/22/29/246122229.db2.gz MAJMHAMATVGDJE-QZTJIDSGSA-N 2 0 372.513 0.836 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000419373950 246122591 /nfs/dbraw/zinc/12/25/91/246122591.db2.gz OYUUUZNQEAEKPW-IXDOHACOSA-N 2 0 350.507 0.537 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419390288 246129565 /nfs/dbraw/zinc/12/95/65/246129565.db2.gz ILNNSXROOMSINQ-YTQUADARSA-N 2 0 370.497 0.665 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419349064 246112272 /nfs/dbraw/zinc/11/22/72/246112272.db2.gz YAUMUSGFJMCVDJ-INIZCTEOSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419414465 246147935 /nfs/dbraw/zinc/14/79/35/246147935.db2.gz DWPRSOLQECZCQV-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000419414635 246149055 /nfs/dbraw/zinc/14/90/55/246149055.db2.gz UBDHBGSKJREHQJ-WWGRRREGSA-N 2 0 350.438 0.753 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419416558 246149074 /nfs/dbraw/zinc/14/90/74/246149074.db2.gz WIJJIOXEHACVAX-IRXDYDNUSA-N 2 0 368.522 0.722 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419417026 246149092 /nfs/dbraw/zinc/14/90/92/246149092.db2.gz HQBWCHMPYHEAOY-TWMKSMIVSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419417012 246150059 /nfs/dbraw/zinc/15/00/59/246150059.db2.gz HPDNJROOKNSWIJ-GPMSIDNRSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419417028 246150273 /nfs/dbraw/zinc/15/02/73/246150273.db2.gz HQBWCHMPYHEAOY-VVLHAWIVSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000419416154 246150365 /nfs/dbraw/zinc/15/03/65/246150365.db2.gz WBMFLQUUESFZLT-MRXNPFEDSA-N 2 0 350.438 0.742 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC(F)(F)CN)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399420 246135461 /nfs/dbraw/zinc/13/54/61/246135461.db2.gz JUJXCOCOFBIANF-UKRRQHHQSA-N 2 0 368.428 0.723 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419403210 246137569 /nfs/dbraw/zinc/13/75/69/246137569.db2.gz CWZCNESUCIYPRL-ZWKOTPCHSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403874 246138084 /nfs/dbraw/zinc/13/80/84/246138084.db2.gz SAOVTMXHIKTXKA-JQHSSLGASA-N 2 0 374.485 0.118 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409190 246142105 /nfs/dbraw/zinc/14/21/05/246142105.db2.gz DTRLBMYAWNUULY-UAGQMJEPSA-N 2 0 362.474 0.246 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407754 246143165 /nfs/dbraw/zinc/14/31/65/246143165.db2.gz YZXUMPSJEDBKGU-LZLYRXPVSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419427680 246158273 /nfs/dbraw/zinc/15/82/73/246158273.db2.gz SHJYZRFAJKBWMV-ROUUACIJSA-N 2 0 374.485 0.434 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419418563 246151641 /nfs/dbraw/zinc/15/16/41/246151641.db2.gz IHNLIBIEPQAVRR-LPHOPBHVSA-N 2 0 372.513 0.994 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419419908 246152455 /nfs/dbraw/zinc/15/24/55/246152455.db2.gz ZOBNBLHIGXGLCZ-ROUUACIJSA-N 2 0 374.485 0.126 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419503807 246182972 /nfs/dbraw/zinc/18/29/72/246182972.db2.gz FHQJPQQFJFFNEW-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419509767 246185164 /nfs/dbraw/zinc/18/51/64/246185164.db2.gz UOGLBUFHWGPTNC-QGZVFWFLSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419476917 246175808 /nfs/dbraw/zinc/17/58/08/246175808.db2.gz QNQUUHDNZAPUAC-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483582 246177694 /nfs/dbraw/zinc/17/76/94/246177694.db2.gz RZVHXNZBCCMZLD-HOTGVXAUSA-N 2 0 368.522 0.844 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419485740 246178004 /nfs/dbraw/zinc/17/80/04/246178004.db2.gz WGDURLVXGVAVNW-OWCLPIDISA-N 2 0 354.495 0.047 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419485739 246178427 /nfs/dbraw/zinc/17/84/27/246178427.db2.gz WGDURLVXGVAVNW-OAGGEKHMSA-N 2 0 354.495 0.047 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580016 246209501 /nfs/dbraw/zinc/20/95/01/246209501.db2.gz HWNQVGFWIRQLJR-RHSMWYFYSA-N 2 0 356.536 0.564 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586177 246212450 /nfs/dbraw/zinc/21/24/50/246212450.db2.gz NXELNYQTAWUWAP-SUMWQHHRSA-N 2 0 356.536 0.434 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)[N@H+](C)C1CC1 ZINC000419587725 246212484 /nfs/dbraw/zinc/21/24/84/246212484.db2.gz NSPOQMCPFXCYAC-KBRIMQKVSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419532198 246195478 /nfs/dbraw/zinc/19/54/78/246195478.db2.gz MSYPUBSFHMDDGV-KBAYOESNSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533701 246195858 /nfs/dbraw/zinc/19/58/58/246195858.db2.gz PAXNCTVFWOJWBV-DDBAPUKQSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419536464 246195874 /nfs/dbraw/zinc/19/58/74/246195874.db2.gz ULDPUTCXNXXOMY-BVBHFADKSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534725 246195889 /nfs/dbraw/zinc/19/58/89/246195889.db2.gz QMRWYJUTMFIDJZ-YJBOKZPZSA-N 2 0 358.486 0.820 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000419548494 246199168 /nfs/dbraw/zinc/19/91/68/246199168.db2.gz TVWNEWDDCFZFRD-QGZVFWFLSA-N 2 0 362.474 0.244 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000419621843 246220191 /nfs/dbraw/zinc/22/01/91/246220191.db2.gz FSXDPUWLLXWLHI-DOPJRALCSA-N 2 0 374.460 0.845 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000419650367 246230697 /nfs/dbraw/zinc/23/06/97/246230697.db2.gz CVDMDZNQPPPXCI-YSHGAJCASA-N 2 0 370.497 0.976 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)CN)CC[N@@H+]1Cc1ccccc1 ZINC000419654520 246231315 /nfs/dbraw/zinc/23/13/15/246231315.db2.gz GRAIMEJUHMLXJK-ZFWWWQNUSA-N 2 0 368.428 0.866 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717419 246268727 /nfs/dbraw/zinc/26/87/27/246268727.db2.gz BFQYTZXSMLNYDG-DGCLKSJQSA-N 2 0 354.495 0.641 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000419663209 246236193 /nfs/dbraw/zinc/23/61/93/246236193.db2.gz PVHMXUGOAQAMMU-OQIJWPOYSA-N 2 0 370.497 0.834 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419670123 246238693 /nfs/dbraw/zinc/23/86/93/246238693.db2.gz FRFBMMFHVQLSAW-BZUAXINKSA-N 2 0 354.495 0.188 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000419684816 246247586 /nfs/dbraw/zinc/24/75/86/246247586.db2.gz VTGOMQFEIAFCSM-MRXNPFEDSA-N 2 0 350.507 0.956 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000419695821 246255227 /nfs/dbraw/zinc/25/52/27/246255227.db2.gz NFDUFDQXZDCREU-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419701886 246257252 /nfs/dbraw/zinc/25/72/52/246257252.db2.gz BJHHSGLBPDECLS-UIBIWLFHSA-N 2 0 358.486 0.974 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419710888 246262946 /nfs/dbraw/zinc/26/29/46/246262946.db2.gz RFEFTKAGPJOMPJ-SZMVWBNQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCCCC1 ZINC000419721437 246270430 /nfs/dbraw/zinc/27/04/30/246270430.db2.gz ZWLGITBEAZIADH-LTIDMASMSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000419709671 246264071 /nfs/dbraw/zinc/26/40/71/246264071.db2.gz HQGZXLHAJBAWPK-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000419712377 246264187 /nfs/dbraw/zinc/26/41/87/246264187.db2.gz PIDOJUFGMDDQBU-UHFFFAOYSA-N 2 0 360.502 0.865 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419714389 246265573 /nfs/dbraw/zinc/26/55/73/246265573.db2.gz XUQAXFWAERWFCZ-DOTOQJQBSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419712837 246266270 /nfs/dbraw/zinc/26/62/70/246266270.db2.gz UMOOEPGUMSFAHM-QAPCUYQASA-N 2 0 356.470 0.802 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419715901 246267822 /nfs/dbraw/zinc/26/78/22/246267822.db2.gz ZZDKUUFOXIHFCX-MUQADHOPSA-N 2 0 358.486 0.974 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419717888 246268094 /nfs/dbraw/zinc/26/80/94/246268094.db2.gz CILJPRZJYJUROC-MSOLQXFVSA-N 2 0 370.497 0.835 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CCCC2)CC1 ZINC000419757548 246287736 /nfs/dbraw/zinc/28/77/36/246287736.db2.gz UPVHFQUFBCSVSB-OAHLLOKOSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762350 246289108 /nfs/dbraw/zinc/28/91/08/246289108.db2.gz RSVSWPQGUHKYID-HOCLYGCPSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)C[NH+]1CCCC1 ZINC000419822473 246306435 /nfs/dbraw/zinc/30/64/35/246306435.db2.gz LMGVJBFOQNPSSO-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419762372 246289784 /nfs/dbraw/zinc/28/97/84/246289784.db2.gz RVJWDLVZIUAQLI-IBGZPJMESA-N 2 0 364.465 0.880 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419760299 246289837 /nfs/dbraw/zinc/28/98/37/246289837.db2.gz NJXUSKHPAMAKIO-UHFFFAOYSA-N 2 0 364.465 0.832 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419801190 246299623 /nfs/dbraw/zinc/29/96/23/246299623.db2.gz AUUALRALBUAZKB-QGZVFWFLSA-N 2 0 360.458 0.380 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419801137 246299843 /nfs/dbraw/zinc/29/98/43/246299843.db2.gz ARKKDFHXXZEGBB-NVXWUHKLSA-N 2 0 360.458 0.426 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419734851 246276081 /nfs/dbraw/zinc/27/60/81/246276081.db2.gz PRFMECUWCIBXKJ-GOEBONIOSA-N 2 0 350.438 0.537 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419745475 246279446 /nfs/dbraw/zinc/27/94/46/246279446.db2.gz APHJMADZCQJVKW-UHFFFAOYSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000419834968 246313342 /nfs/dbraw/zinc/31/33/42/246313342.db2.gz UPKRTULMHXGMSD-NVXWUHKLSA-N 2 0 367.538 0.010 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419841687 246316770 /nfs/dbraw/zinc/31/67/70/246316770.db2.gz KOLPHGASOIAYRE-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419841678 246317136 /nfs/dbraw/zinc/31/71/36/246317136.db2.gz GSWHKPMICUBOGH-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419855330 246326763 /nfs/dbraw/zinc/32/67/63/246326763.db2.gz WNEHMFNDCFTSNP-UHFFFAOYSA-N 2 0 356.417 0.581 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419858095 246327698 /nfs/dbraw/zinc/32/76/98/246327698.db2.gz HLSAGTMJHAEPRH-YJBOKZPZSA-N 2 0 358.486 0.963 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867458 246334970 /nfs/dbraw/zinc/33/49/70/246334970.db2.gz KYWWRIVCTMEMOF-KRWDZBQOSA-N 2 0 367.538 0.169 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000419867114 246335493 /nfs/dbraw/zinc/33/54/93/246335493.db2.gz GWFWJHKQFSMPKA-UHFFFAOYSA-N 2 0 354.882 0.956 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000419869432 246337617 /nfs/dbraw/zinc/33/76/17/246337617.db2.gz BMYKOEIQCVRICH-CVEARBPZSA-N 2 0 364.490 0.983 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419907810 246364317 /nfs/dbraw/zinc/36/43/17/246364317.db2.gz XUZSSQSUTHHELC-QKPAOTATSA-N 2 0 354.495 0.106 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419878144 246345625 /nfs/dbraw/zinc/34/56/25/246345625.db2.gz YNBRHBIJJLFSBF-ZWKOTPCHSA-N 2 0 358.486 0.963 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419879208 246346409 /nfs/dbraw/zinc/34/64/09/246346409.db2.gz RFCOLOASIDHTRH-SJORKVTESA-N 2 0 374.485 0.726 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000419883629 246350734 /nfs/dbraw/zinc/35/07/34/246350734.db2.gz WJNPOGGALIIACB-HZPDHXFCSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000419905366 246361527 /nfs/dbraw/zinc/36/15/27/246361527.db2.gz WFKDXPBPNANWHE-HUUCEWRRSA-N 2 0 350.463 0.674 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419945491 246380168 /nfs/dbraw/zinc/38/01/68/246380168.db2.gz SMXLPENUDVMQIV-LBPRGKRZSA-N 2 0 356.417 0.566 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419958698 246388201 /nfs/dbraw/zinc/38/82/01/246388201.db2.gz QDWGRLDMHMDIHY-CVEARBPZSA-N 2 0 354.495 0.047 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419974004 246395768 /nfs/dbraw/zinc/39/57/68/246395768.db2.gz IPYIFDFUPQRWLH-XYJFISCASA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000423063046 246957948 /nfs/dbraw/zinc/95/79/48/246957948.db2.gz VJPBNVJKMMUEQD-HOTGVXAUSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423362398 247012031 /nfs/dbraw/zinc/01/20/31/247012031.db2.gz HPYCVITZZLAONI-UONOGXRCSA-N 2 0 352.504 0.834 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000423390007 247018537 /nfs/dbraw/zinc/01/85/37/247018537.db2.gz VNHOYJBYIJVXKO-GVDBMIGSSA-N 2 0 366.506 0.001 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000423211118 246977967 /nfs/dbraw/zinc/97/79/67/246977967.db2.gz XZXFJJQJEBBDFE-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423421523 247023279 /nfs/dbraw/zinc/02/32/79/247023279.db2.gz CJVBKSPQNPCLOW-ZSGPHXLJSA-N 2 0 366.531 0.785 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)CC1 ZINC000423309355 247001113 /nfs/dbraw/zinc/00/11/13/247001113.db2.gz ZFNPRCHHZNKKIO-UHYCVJNDSA-N 2 0 362.518 0.921 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530549 247045117 /nfs/dbraw/zinc/04/51/17/247045117.db2.gz PPSHROWYMNRVNV-IAGOWNOFSA-N 2 0 367.538 0.199 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)[NH2+]1 ZINC000423567458 247055035 /nfs/dbraw/zinc/05/50/35/247055035.db2.gz CXSCYGICTNWXAX-LAQRGFTBSA-N 2 0 373.501 0.742 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423568252 247056741 /nfs/dbraw/zinc/05/67/41/247056741.db2.gz RQZBLVZQXGVXSQ-RRQGHBQHSA-N 2 0 362.449 0.489 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423583117 247061169 /nfs/dbraw/zinc/06/11/69/247061169.db2.gz YUQRTBBUEJBRFV-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000423596595 247068758 /nfs/dbraw/zinc/06/87/58/247068758.db2.gz RZPNAORPEWUBJD-HNNXBMFYSA-N 2 0 360.458 0.970 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000423434589 247026076 /nfs/dbraw/zinc/02/60/76/247026076.db2.gz DAGTWINLJBHSOU-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423438661 247027955 /nfs/dbraw/zinc/02/79/55/247027955.db2.gz HCWNMWUWLHZBSZ-XLAORIBOSA-N 2 0 362.518 0.763 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000423451018 247029593 /nfs/dbraw/zinc/02/95/93/247029593.db2.gz UIHRKOWBRZQPLB-NVXWUHKLSA-N 2 0 368.522 0.532 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000423448947 247030082 /nfs/dbraw/zinc/03/00/82/247030082.db2.gz QWRCDAHFQYSSPM-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423498582 247036843 /nfs/dbraw/zinc/03/68/43/247036843.db2.gz IFZMTRFTIBXEKH-IYBDPMFKSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423680513 247106358 /nfs/dbraw/zinc/10/63/58/247106358.db2.gz MPAWFGCBILEVFA-VYDXJSESSA-N 2 0 366.506 0.426 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000423690903 247110641 /nfs/dbraw/zinc/11/06/41/247110641.db2.gz ZFWYQHNZOAIXOV-GOEBONIOSA-N 2 0 354.495 0.284 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423609912 247075417 /nfs/dbraw/zinc/07/54/17/247075417.db2.gz MDVGXVOSKLFZSA-CVEARBPZSA-N 2 0 364.515 0.706 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000423621950 247079114 /nfs/dbraw/zinc/07/91/14/247079114.db2.gz LOBVUBDORZJXIQ-GDBMZVCRSA-N 2 0 352.479 0.038 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423619664 247079548 /nfs/dbraw/zinc/07/95/48/247079548.db2.gz INTFHRCWYTYDNV-OAHLLOKOSA-N 2 0 354.495 0.286 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000423696861 247114369 /nfs/dbraw/zinc/11/43/69/247114369.db2.gz MGWKYCQNGMACGL-USXIJHARSA-N 2 0 350.507 0.905 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423646709 247090251 /nfs/dbraw/zinc/09/02/51/247090251.db2.gz MGDHWNZYOBDZPW-FGTMMUONSA-N 2 0 356.470 0.527 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000423653338 247094834 /nfs/dbraw/zinc/09/48/34/247094834.db2.gz OTFVLNUNIHWNKF-CABCVRRESA-N 2 0 350.463 0.756 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656017 247098086 /nfs/dbraw/zinc/09/80/86/247098086.db2.gz TWHIFYRGHJYPRI-DSLXNQLJSA-N 2 0 370.497 0.773 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423758929 247140796 /nfs/dbraw/zinc/14/07/96/247140796.db2.gz OHXBHIBOJMDBDX-UHFFFAOYSA-N 2 0 352.866 0.839 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423703167 247116356 /nfs/dbraw/zinc/11/63/56/247116356.db2.gz ZQRJHPSJDJPKTM-CVEARBPZSA-N 2 0 362.474 0.913 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)CCO1 ZINC000423716988 247123098 /nfs/dbraw/zinc/12/30/98/247123098.db2.gz ASUROBTVFCWUSA-ZMSDIMECSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000424018063 247160102 /nfs/dbraw/zinc/16/01/02/247160102.db2.gz IFKHEBKJPZPVCZ-QGZVFWFLSA-N 2 0 360.502 0.817 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423749492 247137483 /nfs/dbraw/zinc/13/74/83/247137483.db2.gz RUOAGNCVJLDZAX-XHSDSOJGSA-N 2 0 355.479 0.759 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000424125645 247169707 /nfs/dbraw/zinc/16/97/07/247169707.db2.gz ANPSKJBPMYMWFT-RBSFLKMASA-N 2 0 350.467 0.432 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1)CC[NH2+]CC2 ZINC000424532045 247253391 /nfs/dbraw/zinc/25/33/91/247253391.db2.gz XMHQYKJXAYOFEB-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000424433590 247214290 /nfs/dbraw/zinc/21/42/90/247214290.db2.gz CEHUOULLGHNALW-UHFFFAOYSA-N 2 0 361.490 0.534 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425384576 247330779 /nfs/dbraw/zinc/33/07/79/247330779.db2.gz JXAPWJTVENGLJQ-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425475087 247344707 /nfs/dbraw/zinc/34/47/07/247344707.db2.gz LKVUKDHDSDAXIC-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000442583120 248291938 /nfs/dbraw/zinc/29/19/38/248291938.db2.gz KLERGOKUVDRACQ-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442760912 248296127 /nfs/dbraw/zinc/29/61/27/248296127.db2.gz OHKIVHOFZXBTDL-VNHYZAJKSA-N 2 0 368.503 0.050 20 0 FCADRP C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444254990 248353504 /nfs/dbraw/zinc/35/35/04/248353504.db2.gz WMSWYCYXMDZLLK-KZNAEPCWSA-N 2 0 354.539 0.754 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444258662 248354063 /nfs/dbraw/zinc/35/40/63/248354063.db2.gz JSBQGYQMMKDUFF-APWZRJJASA-N 2 0 358.490 0.495 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000446684693 248394135 /nfs/dbraw/zinc/39/41/35/248394135.db2.gz SWGHBHPFLNFKQM-UHFFFAOYSA-N 2 0 369.554 0.502 20 0 FCADRP COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000270509743 211212258 /nfs/dbraw/zinc/21/22/58/211212258.db2.gz QSMLXMOQMLMYSI-IRXDYDNUSA-N 2 0 372.425 0.511 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC000469962759 250014521 /nfs/dbraw/zinc/01/45/21/250014521.db2.gz FPJILMPXZVAKFD-QGZVFWFLSA-N 2 0 352.523 0.927 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000469995003 250019596 /nfs/dbraw/zinc/01/95/96/250019596.db2.gz ZEHBERWCOTWPJX-CYBMUJFWSA-N 2 0 353.492 0.267 20 0 FCADRP CC(C)OCCN1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000470732553 250058638 /nfs/dbraw/zinc/05/86/38/250058638.db2.gz JTZNVZSFYIORIJ-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000471213190 250092665 /nfs/dbraw/zinc/09/26/65/250092665.db2.gz PBLUOQIHHZMZPE-UHFFFAOYSA-N 2 0 353.555 0.545 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471645419 250111051 /nfs/dbraw/zinc/11/10/51/250111051.db2.gz QECOSXRPTRJDDA-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000471650804 250114205 /nfs/dbraw/zinc/11/42/05/250114205.db2.gz WYJQXIAMKMZPPQ-QZTJIDSGSA-N 2 0 364.490 0.499 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472278276 250143166 /nfs/dbraw/zinc/14/31/66/250143166.db2.gz NZMDGJBDBIRIAN-BRWVUGGUSA-N 2 0 368.522 0.532 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275864 250143809 /nfs/dbraw/zinc/14/38/09/250143809.db2.gz KDAPLHUOLAJDAJ-ZWKOTPCHSA-N 2 0 354.539 0.972 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCn2ncnc2C1 ZINC000473930449 250256245 /nfs/dbraw/zinc/25/62/45/250256245.db2.gz BXUHRBARTORNNT-UHFFFAOYSA-N 2 0 370.461 0.411 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932479 250257325 /nfs/dbraw/zinc/25/73/25/250257325.db2.gz MHLWINCUBQMRAL-CABCVRRESA-N 2 0 351.499 0.934 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930866 250298938 /nfs/dbraw/zinc/29/89/38/250298938.db2.gz IQRVRRKWEUAOKX-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481700372 250350331 /nfs/dbraw/zinc/35/03/31/250350331.db2.gz ZBFNMTFLAHBVRB-AEFFLSMTSA-N 2 0 371.595 0.997 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481772690 250356678 /nfs/dbraw/zinc/35/66/78/250356678.db2.gz BNMSLEXOYDAWBR-NVXWUHKLSA-N 2 0 358.552 0.816 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783774 250360392 /nfs/dbraw/zinc/36/03/92/250360392.db2.gz RWICOSOBYAVOGY-WMZOPIPTSA-N 2 0 369.579 0.845 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000482370338 250387910 /nfs/dbraw/zinc/38/79/10/250387910.db2.gz ICOIYQZYERWZSH-LJQANCHMSA-N 2 0 360.502 0.975 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413150821 532994543 /nfs/dbraw/zinc/99/45/43/532994543.db2.gz VWBOPAUUJSQZPG-HZPDHXFCSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@H+](C)C1 ZINC000413160520 532997700 /nfs/dbraw/zinc/99/77/00/532997700.db2.gz CYFLJEXNUVSKJB-ARFHVFGLSA-N 2 0 354.495 0.853 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)C1CC1 ZINC000105322914 208199380 /nfs/dbraw/zinc/19/93/80/208199380.db2.gz MUYDZHVZYSKZOX-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC000118494840 208350758 /nfs/dbraw/zinc/35/07/58/208350758.db2.gz OUHBDUSMRZCRFJ-GASCZTMLSA-N 2 0 359.474 0.445 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2cncc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000118494398 208351108 /nfs/dbraw/zinc/35/11/08/208351108.db2.gz PWNNJJBSSXZDGQ-GASCZTMLSA-N 2 0 359.474 0.445 20 0 FCADRP CN1CCN(C(=O)CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655346 208387551 /nfs/dbraw/zinc/38/75/51/208387551.db2.gz JKMLIPWPCQDMGT-MRXNPFEDSA-N 2 0 360.506 0.958 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCSC1 ZINC000333445636 229894666 /nfs/dbraw/zinc/89/46/66/229894666.db2.gz WTRCLPLOUITIDC-HLLBOEOZSA-N 2 0 356.536 0.962 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1CCN1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000931887792 674151163 /nfs/dbraw/zinc/15/11/63/674151163.db2.gz WSUXIQYQCKIOSM-CYBMUJFWSA-N 2 0 364.412 0.682 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176339298 209003382 /nfs/dbraw/zinc/00/33/82/209003382.db2.gz KGHPCKZYVQQGEA-MSOLQXFVSA-N 2 0 367.538 0.234 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000177048995 209014229 /nfs/dbraw/zinc/01/42/29/209014229.db2.gz CZISCTBVTNDPQT-MRXNPFEDSA-N 2 0 364.465 0.784 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000177071395 209014380 /nfs/dbraw/zinc/01/43/80/209014380.db2.gz SZVTZNQDICPPQX-OAHLLOKOSA-N 2 0 350.467 0.631 20 0 FCADRP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000179093006 209070862 /nfs/dbraw/zinc/07/08/62/209070862.db2.gz HHMRMOOEFJVHOI-HNNXBMFYSA-N 2 0 363.506 0.568 20 0 FCADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000179092992 209071751 /nfs/dbraw/zinc/07/17/51/209071751.db2.gz HHMRMOOEFJVHOI-OAHLLOKOSA-N 2 0 363.506 0.568 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+](C)C1 ZINC000413138646 533478086 /nfs/dbraw/zinc/47/80/86/533478086.db2.gz DALCTKZMXVZROR-AWEZNQCLSA-N 2 0 354.495 0.996 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+](C)C1 ZINC000413511820 533480776 /nfs/dbraw/zinc/48/07/76/533480776.db2.gz XEDGAEWXNNXKKE-GJZGRUSLSA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+](C)C1 ZINC000413298997 533482144 /nfs/dbraw/zinc/48/21/44/533482144.db2.gz LCBBVHOMUNYMDJ-LSDHHAIUSA-N 2 0 352.479 0.750 20 0 FCADRP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000932033382 674163593 /nfs/dbraw/zinc/16/35/93/674163593.db2.gz BIGCAGZAPUEXCR-MRXNPFEDSA-N 2 0 350.467 0.173 20 0 FCADRP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)C[NH+]1CCN(C)CC1 ZINC000173919710 229210421 /nfs/dbraw/zinc/21/04/21/229210421.db2.gz UKDGFFRPJLNPGH-OAHLLOKOSA-N 2 0 351.499 0.450 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000189339602 229251456 /nfs/dbraw/zinc/25/14/56/229251456.db2.gz DIRWUUSGNMRDMP-UHFFFAOYSA-N 2 0 359.540 0.928 20 0 FCADRP Cc1ccc(NC(=O)C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nc1 ZINC000262251100 229299737 /nfs/dbraw/zinc/29/97/37/229299737.db2.gz WWXZXINUWQOHQD-UHFFFAOYSA-N 2 0 359.474 0.862 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410432867 230078404 /nfs/dbraw/zinc/07/84/04/230078404.db2.gz KNTLUIUWQISHCP-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410441114 230081087 /nfs/dbraw/zinc/08/10/87/230081087.db2.gz XZYIXYOZFAHOFP-APWZRJJASA-N 2 0 366.506 0.110 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410498037 230103628 /nfs/dbraw/zinc/10/36/28/230103628.db2.gz MGIRVTUHDSTBBY-NVXWUHKLSA-N 2 0 358.442 0.756 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410503534 230109097 /nfs/dbraw/zinc/10/90/97/230109097.db2.gz NUADVTQHHJTBQL-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000410727765 230218835 /nfs/dbraw/zinc/21/88/35/230218835.db2.gz CDWAYWIDEPHVMP-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000627827060 484102089 /nfs/dbraw/zinc/10/20/89/484102089.db2.gz PIJXQMSPWSJLRU-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FCADRP NC(=O)c1cnccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000302033794 488886705 /nfs/dbraw/zinc/88/67/05/488886705.db2.gz OFNJVFUPQUKSRH-UHFFFAOYSA-N 2 0 370.438 0.572 20 0 FCADRP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccncc3C(N)=O)CC2)C1 ZINC000302038011 488886749 /nfs/dbraw/zinc/88/67/49/488886749.db2.gz QFLIDQAJEQPPDB-HUUCEWRRSA-N 2 0 359.474 0.807 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278968279 488907613 /nfs/dbraw/zinc/90/76/13/488907613.db2.gz IQYDEIFLMKVBEI-XJKSGUPXSA-N 2 0 362.478 0.159 20 0 FCADRP O=S1(=O)CCC(O)(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000328686259 488930215 /nfs/dbraw/zinc/93/02/15/488930215.db2.gz YCSNAJAAVLJWEN-UHFFFAOYSA-N 2 0 360.520 0.360 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000569810236 491194172 /nfs/dbraw/zinc/19/41/72/491194172.db2.gz HYQPURDMZSWTEW-SOUVJXGZSA-N 2 0 361.490 0.965 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327388 488384480 /nfs/dbraw/zinc/38/44/80/488384480.db2.gz GTJPGPYSTOCVAH-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000074098162 488387409 /nfs/dbraw/zinc/38/74/09/488387409.db2.gz CWKNAZKHOWNPDS-BRWVUGGUSA-N 2 0 353.511 0.032 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000074170985 488388834 /nfs/dbraw/zinc/38/88/34/488388834.db2.gz OHNICSBKGLRITQ-QGZVFWFLSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000074657066 488393525 /nfs/dbraw/zinc/39/35/25/488393525.db2.gz DCSAWJWIMCASFU-MSOLQXFVSA-N 2 0 369.554 0.622 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074877868 488394409 /nfs/dbraw/zinc/39/44/09/488394409.db2.gz JJFYCEVCCZMPAG-FUHWJXTLSA-N 2 0 351.539 0.996 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000075007705 488394444 /nfs/dbraw/zinc/39/44/44/488394444.db2.gz FUXKMJKUNBPEGV-MRXNPFEDSA-N 2 0 368.522 0.533 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335639 491195178 /nfs/dbraw/zinc/19/51/78/491195178.db2.gz ZCZAQQJLLBQKSQ-MAUKXSAKSA-N 2 0 372.513 0.801 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000076333969 488403661 /nfs/dbraw/zinc/40/36/61/488403661.db2.gz WNMLLLWIMXTKPI-OAHLLOKOSA-N 2 0 360.458 0.918 20 0 FCADRP C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000193421391 488427472 /nfs/dbraw/zinc/42/74/72/488427472.db2.gz FGAGTMGJXYGWNJ-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000193421410 488427556 /nfs/dbraw/zinc/42/75/56/488427556.db2.gz FGAGTMGJXYGWNJ-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000562865041 491197765 /nfs/dbraw/zinc/19/77/65/491197765.db2.gz BYXFXUKCFQMLAG-GOEBONIOSA-N 2 0 366.506 0.345 20 0 FCADRP Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000268741161 488446226 /nfs/dbraw/zinc/44/62/26/488446226.db2.gz ZTRWCKNHODLKOK-UHFFFAOYSA-N 2 0 371.445 0.082 20 0 FCADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]c(=O)n1 ZINC000268931890 488458039 /nfs/dbraw/zinc/45/80/39/488458039.db2.gz XXMGICRKTSIQQO-UHFFFAOYSA-N 2 0 356.430 0.828 20 0 FCADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000238081517 488458776 /nfs/dbraw/zinc/45/87/76/488458776.db2.gz WWFKQKXCWQLXNK-KKUMJFAQSA-N 2 0 354.520 0.188 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2C)ccn1 ZINC000245457779 488464232 /nfs/dbraw/zinc/46/42/32/488464232.db2.gz JYWZSRXHSLXAPN-HZPDHXFCSA-N 2 0 359.474 0.730 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000245703260 488465440 /nfs/dbraw/zinc/46/54/40/488465440.db2.gz RHMPFQSEQHTPLP-QBPKDAKJSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)N1CCOCC1 ZINC000246442033 488472713 /nfs/dbraw/zinc/47/27/13/488472713.db2.gz NWZUENUQUNHEHA-YYIAUSFCSA-N 2 0 356.511 0.894 20 0 FCADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269257701 488483212 /nfs/dbraw/zinc/48/32/12/488483212.db2.gz ULCSMGOFKNLXMS-SFHVURJKSA-N 2 0 359.474 0.496 20 0 FCADRP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247440373 488485471 /nfs/dbraw/zinc/48/54/71/488485471.db2.gz NISKTTNEYMIZOR-QLFBSQMISA-N 2 0 364.494 0.761 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000569910286 491202511 /nfs/dbraw/zinc/20/25/11/491202511.db2.gz GVIITBWLUNGFAA-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H]1C ZINC000248367864 488495542 /nfs/dbraw/zinc/49/55/42/488495542.db2.gz UNXYBPPTEAJIIE-KGLIPLIRSA-N 2 0 357.462 0.742 20 0 FCADRP CC[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C[C@H](C)O ZINC000248451628 488496502 /nfs/dbraw/zinc/49/65/02/488496502.db2.gz GAVHVFAGECJJLR-RDJZCZTQSA-N 2 0 364.490 0.939 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000103492719 488501826 /nfs/dbraw/zinc/50/18/26/488501826.db2.gz FKKJWWVICLFWBJ-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000104800584 488506006 /nfs/dbraw/zinc/50/60/06/488506006.db2.gz LIAPRKIAIVDUGS-MRXNPFEDSA-N 2 0 353.511 0.557 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378449 488539963 /nfs/dbraw/zinc/53/99/63/488539963.db2.gz XFJMXOUJZOXRCP-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892227 488540604 /nfs/dbraw/zinc/54/06/04/488540604.db2.gz CGPIAXZPKWDKGB-ROUUACIJSA-N 2 0 364.534 0.630 20 0 FCADRP C[N@H+](CCCO)C1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000115548996 488544881 /nfs/dbraw/zinc/54/48/81/488544881.db2.gz PVCHVEWATBHQSL-UHFFFAOYSA-N 2 0 362.474 0.893 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1=O ZINC000118870369 488554177 /nfs/dbraw/zinc/55/41/77/488554177.db2.gz RRZBEYIEQKMZNQ-HOTGVXAUSA-N 2 0 362.474 0.943 20 0 FCADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000262188482 488555940 /nfs/dbraw/zinc/55/59/40/488555940.db2.gz JKMJGMGYUWEFBZ-QZTJIDSGSA-N 2 0 358.486 0.980 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)NCC3=CC[N@H+](C)CC3)ccn2)CC1 ZINC000272064281 488561066 /nfs/dbraw/zinc/56/10/66/488561066.db2.gz IKMQXDQSOUGUOS-UHFFFAOYSA-N 2 0 358.490 0.895 20 0 FCADRP COC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262324899 488564165 /nfs/dbraw/zinc/56/41/65/488564165.db2.gz QWQLPLDPECBKGV-OAHLLOKOSA-N 2 0 350.463 0.249 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262347718 488565208 /nfs/dbraw/zinc/56/52/08/488565208.db2.gz IQTLKQDLPNMTEC-GOSISDBHSA-N 2 0 374.485 0.743 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000121371250 488567418 /nfs/dbraw/zinc/56/74/18/488567418.db2.gz HGFGZFJWCARGDG-SFHVURJKSA-N 2 0 352.479 0.739 20 0 FCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nc[nH]n1 ZINC000272299993 488571807 /nfs/dbraw/zinc/57/18/07/488571807.db2.gz CXPLYVYKDYLMTG-AWEZNQCLSA-N 2 0 358.450 0.772 20 0 FCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCn2ccnc2C)CC1 ZINC000272354858 488575318 /nfs/dbraw/zinc/57/53/18/488575318.db2.gz DNOINDDVQQVMAU-UHFFFAOYSA-N 2 0 366.491 0.974 20 0 FCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000124230844 488590574 /nfs/dbraw/zinc/59/05/74/488590574.db2.gz UKHIZSGANDYTPG-QGZVFWFLSA-N 2 0 362.474 0.302 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262766348 488592016 /nfs/dbraw/zinc/59/20/16/488592016.db2.gz HJOUQJLNRGGASW-KRWDZBQOSA-N 2 0 350.463 0.615 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1(C)C ZINC000262782732 488593259 /nfs/dbraw/zinc/59/32/59/488593259.db2.gz LKEKJZKXEOKIGY-DNVCBOLYSA-N 2 0 366.506 0.286 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000124624120 488594512 /nfs/dbraw/zinc/59/45/12/488594512.db2.gz WIXCUOBWGNBAQZ-HNNXBMFYSA-N 2 0 364.494 0.542 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000124924824 488596527 /nfs/dbraw/zinc/59/65/27/488596527.db2.gz GSEVVJJFERWREZ-QLFBSQMISA-N 2 0 351.495 0.498 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000570028700 491211207 /nfs/dbraw/zinc/21/12/07/491211207.db2.gz JUFPSTYRKXPPBY-CQSZACIVSA-N 2 0 365.444 0.854 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000263253020 488607523 /nfs/dbraw/zinc/60/75/23/488607523.db2.gz PPLPWGWJPMHUQQ-KRWDZBQOSA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)nn1 ZINC000563064946 491212152 /nfs/dbraw/zinc/21/21/52/491212152.db2.gz RWADBLNXOULLGX-UHFFFAOYSA-N 2 0 372.473 0.779 20 0 FCADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000127596547 488618647 /nfs/dbraw/zinc/61/86/47/488618647.db2.gz ICXOCOPMYQHMKA-GJZGRUSLSA-N 2 0 354.520 0.881 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563078917 491213264 /nfs/dbraw/zinc/21/32/64/491213264.db2.gz CSOKGMDEROQSKQ-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCC[NH+](C)C ZINC000131037351 488642377 /nfs/dbraw/zinc/64/23/77/488642377.db2.gz KQYLLUHKJATIGR-UHFFFAOYSA-N 2 0 370.519 0.516 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000133681187 488660893 /nfs/dbraw/zinc/66/08/93/488660893.db2.gz AQONJKRHPPZBIT-OAHLLOKOSA-N 2 0 352.483 0.877 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264293107 488661570 /nfs/dbraw/zinc/66/15/70/488661570.db2.gz HLNMEPJFMZPSJR-UHFFFAOYSA-N 2 0 351.451 0.500 20 0 FCADRP O=C(CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH2+]CC1 ZINC000563106254 491216055 /nfs/dbraw/zinc/21/60/55/491216055.db2.gz HTGWGOJCLJZAFQ-UHFFFAOYSA-N 2 0 362.499 0.397 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000137243360 488680096 /nfs/dbraw/zinc/68/00/96/488680096.db2.gz BZRUSSSRAURFEH-KRWDZBQOSA-N 2 0 358.486 0.984 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000264522518 488681884 /nfs/dbraw/zinc/68/18/84/488681884.db2.gz WKHRUZKODMGMGE-IBGZPJMESA-N 2 0 360.502 0.885 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000150992524 488701110 /nfs/dbraw/zinc/70/11/10/488701110.db2.gz JAATVUPZHXUXFC-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CNC(=O)C[NH3+])CC1 ZINC000274389719 488703708 /nfs/dbraw/zinc/70/37/08/488703708.db2.gz CVKPRYWBXWQYLV-CYBMUJFWSA-N 2 0 365.453 0.220 20 0 FCADRP CNC(=O)CCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264727878 488703827 /nfs/dbraw/zinc/70/38/27/488703827.db2.gz GEFSHHVTKXTMDS-UHFFFAOYSA-N 2 0 362.478 0.371 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2)CC1 ZINC000274534006 488717242 /nfs/dbraw/zinc/71/72/42/488717242.db2.gz QAOLGEWKVZDHDR-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000264833707 488717441 /nfs/dbraw/zinc/71/74/41/488717441.db2.gz JRYVBTUSYJZXKW-HNNXBMFYSA-N 2 0 362.478 0.168 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842954 488718375 /nfs/dbraw/zinc/71/83/75/488718375.db2.gz LJYGMUWIHYXKNG-SJORKVTESA-N 2 0 351.470 0.973 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000570077730 491215005 /nfs/dbraw/zinc/21/50/05/491215005.db2.gz OLCZKCVMAMXLNA-WNRNVDISSA-N 2 0 362.518 0.777 20 0 FCADRP COCCN(CCCNC(=O)/C=C/C[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000274586473 488721438 /nfs/dbraw/zinc/72/14/38/488721438.db2.gz PQGRDVAIRQREGY-KZZDLZNXSA-N 2 0 354.495 0.203 20 0 FCADRP COC(=O)Cn1cc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC000154195767 488739496 /nfs/dbraw/zinc/73/94/96/488739496.db2.gz WBLOGUMGGNJNQL-UHFFFAOYSA-N 2 0 365.478 0.570 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155615174 488757206 /nfs/dbraw/zinc/75/72/06/488757206.db2.gz OCOSNZYGVHHJTH-FUHWJXTLSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)(O)C[NH+]1CCN(CCCCN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000157815558 488774201 /nfs/dbraw/zinc/77/42/01/488774201.db2.gz UQBQEUNAASWUPY-UHFFFAOYSA-N 2 0 370.582 0.544 20 0 FCADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154155 491222509 /nfs/dbraw/zinc/22/25/09/491222509.db2.gz PGGQQQYLWJZSFB-NSHDSACASA-N 2 0 366.384 0.452 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000167215869 488812021 /nfs/dbraw/zinc/81/20/21/488812021.db2.gz LQEUHAUVDJGJJP-MSOLQXFVSA-N 2 0 358.486 0.932 20 0 FCADRP COC1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000168376601 488812819 /nfs/dbraw/zinc/81/28/19/488812819.db2.gz PERYVXUMXZSMSO-UHFFFAOYSA-N 2 0 362.474 0.363 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)CC1 ZINC000570188337 491223378 /nfs/dbraw/zinc/22/33/78/491223378.db2.gz BXPQQZAGZCOAGT-GOSISDBHSA-N 2 0 366.554 0.090 20 0 FCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000267880743 488827030 /nfs/dbraw/zinc/82/70/30/488827030.db2.gz GJEAXLIXTVCSEA-OAHLLOKOSA-N 2 0 374.445 0.679 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199378 491224033 /nfs/dbraw/zinc/22/40/33/491224033.db2.gz NNNFHCXLODTVSA-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000174500084 488849468 /nfs/dbraw/zinc/84/94/68/488849468.db2.gz PXERICONMHBQNW-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000174745519 488851017 /nfs/dbraw/zinc/85/10/17/488851017.db2.gz NCXXIFQGCFFSLC-AEFFLSMTSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000175573090 488854381 /nfs/dbraw/zinc/85/43/81/488854381.db2.gz GNLZDOSQGYQCSE-IRXDYDNUSA-N 2 0 369.554 0.811 20 0 FCADRP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000176868024 488858882 /nfs/dbraw/zinc/85/88/82/488858882.db2.gz NISKTTNEYMIZOR-KFWWJZLASA-N 2 0 364.494 0.761 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000179153752 488860802 /nfs/dbraw/zinc/86/08/02/488860802.db2.gz LFPULVBRWURRHJ-AWEZNQCLSA-N 2 0 372.491 0.415 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179319376 488861014 /nfs/dbraw/zinc/86/10/14/488861014.db2.gz LDMYAFWNHMATRC-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP C[NH+](CCOCC[N@@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180699836 488862381 /nfs/dbraw/zinc/86/23/81/488862381.db2.gz FIHYCQPUZDIMEV-UHFFFAOYSA-N 2 0 354.495 0.463 20 0 FCADRP Cc1nn(C)c(C)c1S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000181069220 488862880 /nfs/dbraw/zinc/86/28/80/488862880.db2.gz BSAORXBWLPYPMT-UHFFFAOYSA-N 2 0 357.524 0.683 20 0 FCADRP C[N@H+](CCCn1ccnc1)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000181098708 488862948 /nfs/dbraw/zinc/86/29/48/488862948.db2.gz KLXYKLJLYLVBGS-UHFFFAOYSA-N 2 0 357.462 0.734 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000181077429 488862961 /nfs/dbraw/zinc/86/29/61/488862961.db2.gz NZZWLGNGROCMAG-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CCN(C(=O)[C@H](C)N(C)CCCn1ccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000181075999 488863031 /nfs/dbraw/zinc/86/30/31/488863031.db2.gz KXTFYJHTWBPGBS-LSDHHAIUSA-N 2 0 356.492 0.629 20 0 FCADRP C[C@@H]1C[NH+](C[C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)C[C@@H](C)O1 ZINC000563221156 491228252 /nfs/dbraw/zinc/22/82/52/491228252.db2.gz ZQHYPAVBRGQYNF-JFIYKMOQSA-N 2 0 355.523 0.283 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000289075125 489040023 /nfs/dbraw/zinc/04/00/23/489040023.db2.gz OBWXLJVAHHQMNW-HDEZJCGLSA-N 2 0 359.474 0.892 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183472 489047095 /nfs/dbraw/zinc/04/70/95/489047095.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289378510 489063110 /nfs/dbraw/zinc/06/31/10/489063110.db2.gz IWYCLFRZLIFOMW-OAHLLOKOSA-N 2 0 363.506 0.928 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)N1CC[NH+](C)CC1 ZINC000289971738 489105851 /nfs/dbraw/zinc/10/58/51/489105851.db2.gz XKOTZIPGURGSGL-RDTXWAMCSA-N 2 0 366.531 0.937 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000365796210 489114570 /nfs/dbraw/zinc/11/45/70/489114570.db2.gz SVCUMQRLFLRGBR-OAHLLOKOSA-N 2 0 364.494 0.495 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC(O)CC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000330681140 489131881 /nfs/dbraw/zinc/13/18/81/489131881.db2.gz GEUOHYYARTUKAC-HZPDHXFCSA-N 2 0 368.522 0.233 20 0 FCADRP CN(C)CCN(C(=O)[C@@H]1CCCc2nccn21)[C@H]1CCS(=O)(=O)C1 ZINC000365994941 489133461 /nfs/dbraw/zinc/13/34/61/489133461.db2.gz GKUFYBJJCSSQOR-KBPBESRZSA-N 2 0 354.476 0.338 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000366400512 489177357 /nfs/dbraw/zinc/17/73/57/489177357.db2.gz RHUFUMYLLVJINX-IAGOWNOFSA-N 2 0 353.507 0.935 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000366400514 489177691 /nfs/dbraw/zinc/17/76/91/489177691.db2.gz RHUFUMYLLVJINX-SJORKVTESA-N 2 0 353.507 0.935 20 0 FCADRP C[C@H](CNC(=O)c1cccc(C(=O)NC[C@@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000295429545 489193657 /nfs/dbraw/zinc/19/36/57/489193657.db2.gz VUDWMJXOGDFQIQ-HUUCEWRRSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000331445790 489212684 /nfs/dbraw/zinc/21/26/84/489212684.db2.gz CFYFAJOBPLMXAE-XQLPTFJDSA-N 2 0 352.479 0.158 20 0 FCADRP CC[N@H+](CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)C ZINC000555134403 491239750 /nfs/dbraw/zinc/23/97/50/491239750.db2.gz GOFUPPJBTBHLHF-UHFFFAOYSA-N 2 0 369.535 1.160 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000332768456 489227632 /nfs/dbraw/zinc/22/76/32/489227632.db2.gz JJALPJVLURXPOE-ZNMIVQPWSA-N 2 0 354.520 0.235 20 0 FCADRP O=C1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1CCN1CCOCC1 ZINC000297734470 489231921 /nfs/dbraw/zinc/23/19/21/489231921.db2.gz SOORGZZBWFFITQ-SFHVURJKSA-N 2 0 373.501 0.573 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000369469130 489241819 /nfs/dbraw/zinc/24/18/19/489241819.db2.gz QTOFOIAKIJAJSY-ZWKOTPCHSA-N 2 0 374.485 0.709 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)c2ccccc2)CC1 ZINC000570447128 491241398 /nfs/dbraw/zinc/24/13/98/491241398.db2.gz LCJCDEPIORBRIA-QGZVFWFLSA-N 2 0 371.489 0.345 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000563404587 491242661 /nfs/dbraw/zinc/24/26/61/491242661.db2.gz YNBUSCLLHRWIHH-JFIYKMOQSA-N 2 0 360.502 0.937 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540523 489272253 /nfs/dbraw/zinc/27/22/53/489272253.db2.gz RSIUZZUDNFEEDV-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546520 489273208 /nfs/dbraw/zinc/27/32/08/489273208.db2.gz SCTADHGXFFCWQU-AYBZRNKSSA-N 2 0 370.497 0.976 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000570512299 491245774 /nfs/dbraw/zinc/24/57/74/491245774.db2.gz IWPRYOQAURSTAX-FXAWDEMLSA-N 2 0 362.518 0.827 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1)CN1CCOCC1 ZINC000285867734 489328251 /nfs/dbraw/zinc/32/82/51/489328251.db2.gz KTLSQHNTXVNBIH-HUUCEWRRSA-N 2 0 363.462 0.548 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000285900237 489332120 /nfs/dbraw/zinc/33/21/20/489332120.db2.gz JRQYTFVGMJJWAC-UHFFFAOYSA-N 2 0 370.519 0.333 20 0 FCADRP C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370282610 489339347 /nfs/dbraw/zinc/33/93/47/489339347.db2.gz XMXLCJQISQWQMW-INMHGKMJSA-N 2 0 354.495 0.648 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698768 489363272 /nfs/dbraw/zinc/36/32/72/489363272.db2.gz CDCWLIHNSABFDX-CRAIPNDOSA-N 2 0 370.497 0.590 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000298837700 489371964 /nfs/dbraw/zinc/37/19/64/489371964.db2.gz FGAMFMGMOZXWGA-UHFFFAOYSA-N 2 0 370.519 0.680 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000286333189 489380518 /nfs/dbraw/zinc/38/05/18/489380518.db2.gz AREVDTUTSXSDBW-MRXNPFEDSA-N 2 0 364.490 0.970 20 0 FCADRP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1c(C)noc1C ZINC000570604868 491252512 /nfs/dbraw/zinc/25/25/12/491252512.db2.gz NZZOIGVDJRNDFS-HNNXBMFYSA-N 2 0 367.494 0.811 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563532138 491253092 /nfs/dbraw/zinc/25/30/92/491253092.db2.gz IGSCQZKROVDQFS-PMPSAXMXSA-N 2 0 354.495 0.108 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563600907 491257363 /nfs/dbraw/zinc/25/73/63/491257363.db2.gz RJLLTCIMJMHOMQ-CVEARBPZSA-N 2 0 365.522 0.618 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363184787 489435180 /nfs/dbraw/zinc/43/51/80/489435180.db2.gz HMPORJDCYUGABY-GASCZTMLSA-N 2 0 355.479 0.487 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCCNC1=O ZINC000299556969 489455656 /nfs/dbraw/zinc/45/56/56/489455656.db2.gz MHGILMIKNSRMKK-KRWDZBQOSA-N 2 0 374.489 0.562 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292439 489474565 /nfs/dbraw/zinc/47/45/65/489474565.db2.gz BXRKSPGPLIWWIW-ILXRZTDVSA-N 2 0 352.479 0.890 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578480 489480710 /nfs/dbraw/zinc/48/07/10/489480710.db2.gz OIJYJHJNEXQORU-ROUUACIJSA-N 2 0 352.523 0.774 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000563620362 491258943 /nfs/dbraw/zinc/25/89/43/491258943.db2.gz JHLTZEDIVARTCB-WFASDCNBSA-N 2 0 352.866 0.879 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371630541 489491322 /nfs/dbraw/zinc/49/13/22/489491322.db2.gz VDETVQMZIYFCOW-MOPGFXCFSA-N 2 0 358.486 0.259 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([NH+](C)C)CCOCC3)C2)CC1 ZINC000371676597 489496460 /nfs/dbraw/zinc/49/64/60/489496460.db2.gz ZCTFNBBIKYETTO-INIZCTEOSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423158712 489498413 /nfs/dbraw/zinc/49/84/13/489498413.db2.gz XBESRCXZBWYJLB-ROUUACIJSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423169461 489498656 /nfs/dbraw/zinc/49/86/56/489498656.db2.gz VWYMUPUHPLKPQA-IBGZPJMESA-N 2 0 364.465 0.913 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423164724 489498876 /nfs/dbraw/zinc/49/88/76/489498876.db2.gz PAECPLPNUSKHNT-HNNXBMFYSA-N 2 0 350.438 0.523 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000423170288 489499659 /nfs/dbraw/zinc/49/96/59/489499659.db2.gz XSDOIHKXEOOKIH-HNNXBMFYSA-N 2 0 350.463 0.689 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000423173148 489499772 /nfs/dbraw/zinc/49/97/72/489499772.db2.gz XDUWKMPZOBETGG-JKSUJKDBSA-N 2 0 362.474 0.546 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)o1 ZINC000423172946 489499840 /nfs/dbraw/zinc/49/98/40/489499840.db2.gz WBOYPQZZLKRCNS-GOSISDBHSA-N 2 0 350.463 0.676 20 0 FCADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423189185 489500962 /nfs/dbraw/zinc/50/09/62/489500962.db2.gz QLNVNSJPPDSEIR-OAHLLOKOSA-N 2 0 354.520 0.897 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000423198364 489501294 /nfs/dbraw/zinc/50/12/94/489501294.db2.gz FMYKQVMKMCIMRE-KRWDZBQOSA-N 2 0 358.486 0.930 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423214594 489503613 /nfs/dbraw/zinc/50/36/13/489503613.db2.gz LJCGUYXSTHOKRX-UHFFFAOYSA-N 2 0 368.522 0.391 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000423294048 489512131 /nfs/dbraw/zinc/51/21/31/489512131.db2.gz BBBXYJREIHTUTF-XYJFISCASA-N 2 0 358.486 0.915 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)c2)CC1 ZINC000415551164 489528899 /nfs/dbraw/zinc/52/88/99/489528899.db2.gz DBMYHXMXMVBNSG-HZPDHXFCSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000451988167 489535951 /nfs/dbraw/zinc/53/59/51/489535951.db2.gz PBIALJMXQMODHI-UHFFFAOYSA-N 2 0 368.547 0.971 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000425873507 489536640 /nfs/dbraw/zinc/53/66/40/489536640.db2.gz QEQWOKYHBVHUQT-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748338 491261806 /nfs/dbraw/zinc/26/18/06/491261806.db2.gz AFFWPPHMCFCZBA-CVEARBPZSA-N 2 0 366.506 0.347 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000415753488 489550218 /nfs/dbraw/zinc/55/02/18/489550218.db2.gz YMNADQNYNCJIBT-HZPDHXFCSA-N 2 0 374.485 0.942 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415850399 489558688 /nfs/dbraw/zinc/55/86/88/489558688.db2.gz GLWXTDOBVUJEJU-GOSISDBHSA-N 2 0 373.501 0.283 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1OCC[NH+](C)C ZINC000415876099 489563068 /nfs/dbraw/zinc/56/30/68/489563068.db2.gz ZTLKZUVPBWKUNU-HOTGVXAUSA-N 2 0 374.485 0.942 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(C)CC[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415877183 489563151 /nfs/dbraw/zinc/56/31/51/489563151.db2.gz HHIYXXBFPUHVOW-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP Cn1nnc2cc(C[NH2+]CC3(N4CCOCC4)CC[NH+](C)CC3)ccc21 ZINC000563688846 491263272 /nfs/dbraw/zinc/26/32/72/491263272.db2.gz BGZSYFLJLJADPQ-UHFFFAOYSA-N 2 0 358.490 0.855 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415901201 489564842 /nfs/dbraw/zinc/56/48/42/489564842.db2.gz WZHDVESFVWMAEN-HOTGVXAUSA-N 2 0 374.485 0.942 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004575 489567445 /nfs/dbraw/zinc/56/74/45/489567445.db2.gz IQPCKTFNZYZUPG-VXGBXAGGSA-N 2 0 367.416 0.508 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427778578 489620465 /nfs/dbraw/zinc/62/04/65/489620465.db2.gz JRXJTHXOCDTNGE-COYYTBTLSA-N 2 0 362.518 0.299 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000416877258 489632268 /nfs/dbraw/zinc/63/22/68/489632268.db2.gz COFTYGMYCRSSKL-KRWDZBQOSA-N 2 0 361.490 0.745 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000416872261 489632658 /nfs/dbraw/zinc/63/26/58/489632658.db2.gz LUBLNSGLIFDJIN-QGZVFWFLSA-N 2 0 365.522 0.716 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cn2)CC1 ZINC000416943198 489634521 /nfs/dbraw/zinc/63/45/21/489634521.db2.gz KFJYYEWBOLAYGD-ZDUSSCGKSA-N 2 0 356.421 0.615 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000416981793 489637912 /nfs/dbraw/zinc/63/79/12/489637912.db2.gz DEHKBXVENYRQPG-UHFFFAOYSA-N 2 0 363.506 0.287 20 0 FCADRP CC1CC[NH+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417021556 489638604 /nfs/dbraw/zinc/63/86/04/489638604.db2.gz UGEYVLYHKAJPAC-CQSZACIVSA-N 2 0 365.444 0.854 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000417016135 489638831 /nfs/dbraw/zinc/63/88/31/489638831.db2.gz NRAIYVRYXSZTCU-UKRRQHHQSA-N 2 0 367.519 0.847 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417066287 489640659 /nfs/dbraw/zinc/64/06/59/489640659.db2.gz CGHORJDFUMAFBZ-IHRRRGAJSA-N 2 0 363.428 0.749 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417091715 489641291 /nfs/dbraw/zinc/64/12/91/489641291.db2.gz KMENVEJIOLQTIO-IAGOWNOFSA-N 2 0 356.511 0.883 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417102642 489641760 /nfs/dbraw/zinc/64/17/60/489641760.db2.gz CFXRSACOKXHZRT-UHFFFAOYSA-N 2 0 369.579 0.943 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417140743 489643355 /nfs/dbraw/zinc/64/33/55/489643355.db2.gz QMKIJEYKWBLZQU-JYJNAYRXSA-N 2 0 351.495 0.642 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417238994 489645661 /nfs/dbraw/zinc/64/56/61/489645661.db2.gz NDLUBJDBLYNGSI-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417323623 489648866 /nfs/dbraw/zinc/64/88/66/489648866.db2.gz HAADHLVSWBRHOX-OAGGEKHMSA-N 2 0 353.511 0.603 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000457610543 489651923 /nfs/dbraw/zinc/65/19/23/489651923.db2.gz UTBOPSOEODDCNK-IAGOWNOFSA-N 2 0 356.511 0.489 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417431710 489652562 /nfs/dbraw/zinc/65/25/62/489652562.db2.gz RNFYNGYOZHGHDG-HNNXBMFYSA-N 2 0 353.511 0.618 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000417460903 489654542 /nfs/dbraw/zinc/65/45/42/489654542.db2.gz RPUSEJVQECIKAM-MRXNPFEDSA-N 2 0 350.463 0.805 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000417456480 489655059 /nfs/dbraw/zinc/65/50/59/489655059.db2.gz BSLLXZSVFYOTKM-KRWDZBQOSA-N 2 0 361.490 0.871 20 0 FCADRP CC[N@H+](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000417467058 489655864 /nfs/dbraw/zinc/65/58/64/489655864.db2.gz VPNSIFUFETVQPD-CYBMUJFWSA-N 2 0 353.433 0.852 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417512175 489656845 /nfs/dbraw/zinc/65/68/45/489656845.db2.gz HGWZXOHDUSDOPB-INIZCTEOSA-N 2 0 363.510 0.534 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417506924 489656924 /nfs/dbraw/zinc/65/69/24/489656924.db2.gz QRDIQYAADJFVAZ-MRXNPFEDSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542249 489657867 /nfs/dbraw/zinc/65/78/67/489657867.db2.gz DHAVVUVENRVNHS-MAUKXSAKSA-N 2 0 373.501 0.887 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620617 489660051 /nfs/dbraw/zinc/66/00/51/489660051.db2.gz DHSDBSQZVZSYFN-GOEBONIOSA-N 2 0 351.495 0.370 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000428704847 489661216 /nfs/dbraw/zinc/66/12/16/489661216.db2.gz ZZFZLUJQAPGYLF-UHFFFAOYSA-N 2 0 355.527 0.114 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000417835689 489668154 /nfs/dbraw/zinc/66/81/54/489668154.db2.gz GSSWMHVDNBALFD-HNNXBMFYSA-N 2 0 353.511 0.616 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417856506 489668552 /nfs/dbraw/zinc/66/85/52/489668552.db2.gz SHSRGVSIGPSISE-OAGGEKHMSA-N 2 0 353.511 0.888 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417857429 489668983 /nfs/dbraw/zinc/66/89/83/489668983.db2.gz XYANEASBLPZYMK-OAHLLOKOSA-N 2 0 353.511 0.650 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417913314 489671441 /nfs/dbraw/zinc/67/14/41/489671441.db2.gz PZGRXHNLNFMBSV-ZWKOTPCHSA-N 2 0 367.538 0.349 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[N@@H+]1C ZINC000418001084 489674709 /nfs/dbraw/zinc/67/47/09/489674709.db2.gz KHLSDOXAAXMHLU-TWMKSMIVSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418039562 489676394 /nfs/dbraw/zinc/67/63/94/489676394.db2.gz IFQCRVUVGALXNS-HZPDHXFCSA-N 2 0 353.511 0.747 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@H]21 ZINC000555756388 491270850 /nfs/dbraw/zinc/27/08/50/491270850.db2.gz FUTBXOIIYWJWLH-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433294 489682602 /nfs/dbraw/zinc/68/26/02/489682602.db2.gz IYGBASUTYMPXNW-SJORKVTESA-N 2 0 351.539 0.996 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418179053 489682819 /nfs/dbraw/zinc/68/28/19/489682819.db2.gz GAXNDKCPOWZINN-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458437155 489683314 /nfs/dbraw/zinc/68/33/14/489683314.db2.gz RVJKLZFWOXYEKV-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418199282 489684901 /nfs/dbraw/zinc/68/49/01/489684901.db2.gz WVMDGDHUYHKMDW-AWEZNQCLSA-N 2 0 357.405 0.818 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418235779 489685378 /nfs/dbraw/zinc/68/53/78/489685378.db2.gz LJTDWJUSSWYWTO-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429446085 489687408 /nfs/dbraw/zinc/68/74/08/489687408.db2.gz GMRVDUBFAGJAMK-HOTGVXAUSA-N 2 0 364.556 0.545 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418306086 489690915 /nfs/dbraw/zinc/69/09/15/489690915.db2.gz QGTCYMUDZLDNPZ-ZWKOTPCHSA-N 2 0 361.490 0.345 20 0 FCADRP C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000418358601 489693265 /nfs/dbraw/zinc/69/32/65/489693265.db2.gz ZEJALGOBIKHGHE-RWMBFGLXSA-N 2 0 351.417 0.510 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000429682566 489696201 /nfs/dbraw/zinc/69/62/01/489696201.db2.gz ZBDPPUWRUFHLBJ-KDURUIRLSA-N 2 0 365.566 0.641 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418483391 489701798 /nfs/dbraw/zinc/70/17/98/489701798.db2.gz CDDCJSZXIWYGKP-ROUUACIJSA-N 2 0 364.490 0.405 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418511844 489703042 /nfs/dbraw/zinc/70/30/42/489703042.db2.gz SBPKJSUMQUTOII-SFHVURJKSA-N 2 0 350.463 0.159 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418557678 489706934 /nfs/dbraw/zinc/70/69/34/489706934.db2.gz WVWYCBKQLVATTE-SFHVURJKSA-N 2 0 353.511 0.572 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418559154 489707210 /nfs/dbraw/zinc/70/72/10/489707210.db2.gz PMDFBNBBWGHDKL-RYQLBKOJSA-N 2 0 361.490 0.344 20 0 FCADRP C[C@@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]C1 ZINC000418559711 489707303 /nfs/dbraw/zinc/70/73/03/489707303.db2.gz YCILVWOGPMBLIC-GXTWGEPZSA-N 2 0 351.417 0.511 20 0 FCADRP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)c(NC[C@@](C)(O)C[NH+](C)C)nc1C ZINC000489397954 489709052 /nfs/dbraw/zinc/70/90/52/489709052.db2.gz FYGSEVWSMHTWRM-QZTJIDSGSA-N 2 0 368.526 0.542 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418605630 489709664 /nfs/dbraw/zinc/70/96/64/489709664.db2.gz AYCSSHMMDXZKSW-KGLIPLIRSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+]C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1CCCC1 ZINC000418621973 489711806 /nfs/dbraw/zinc/71/18/06/489711806.db2.gz MLPOYDLFSOWAJU-MRXNPFEDSA-N 2 0 353.511 0.795 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623384 489711920 /nfs/dbraw/zinc/71/19/20/489711920.db2.gz XBQMMUHOMRCZJC-CYBMUJFWSA-N 2 0 353.433 0.804 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418628765 489712416 /nfs/dbraw/zinc/71/24/16/489712416.db2.gz CRMRAQVLDLZQOD-IAGOWNOFSA-N 2 0 359.474 0.512 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418624305 489712591 /nfs/dbraw/zinc/71/25/91/489712591.db2.gz YVWJUXLTTFEWBX-OLZOCXBDSA-N 2 0 353.433 0.837 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418624307 489712729 /nfs/dbraw/zinc/71/27/29/489712729.db2.gz YVWJUXLTTFEWBX-STQMWFEESA-N 2 0 353.433 0.837 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623872 489712783 /nfs/dbraw/zinc/71/27/83/489712783.db2.gz XXHUYFLRLGXHGD-CYBMUJFWSA-N 2 0 369.432 0.042 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418634510 489713278 /nfs/dbraw/zinc/71/32/78/489713278.db2.gz FQGCCEKGSZDUMZ-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000418629721 489713566 /nfs/dbraw/zinc/71/35/66/489713566.db2.gz CNHAEIYEOYBOQK-WMZOPIPTSA-N 2 0 356.511 0.897 20 0 FCADRP COC[C@@]1(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000418650805 489715170 /nfs/dbraw/zinc/71/51/70/489715170.db2.gz GREGTLJQCPMQPI-SFHVURJKSA-N 2 0 355.527 0.470 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418689998 489718036 /nfs/dbraw/zinc/71/80/36/489718036.db2.gz WAQUZRRBZFQFLJ-YESZJQIVSA-N 2 0 359.474 0.239 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000469705148 489721106 /nfs/dbraw/zinc/72/11/06/489721106.db2.gz RXJFELHTCPWNNG-ZIAGYGMSSA-N 2 0 350.467 0.372 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418760966 489723506 /nfs/dbraw/zinc/72/35/06/489723506.db2.gz FPZWVYDVFBRJHI-HZPDHXFCSA-N 2 0 351.495 0.467 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774522 489726132 /nfs/dbraw/zinc/72/61/32/489726132.db2.gz YWRMCMPOHMNNGB-RBUKOAKNSA-N 2 0 374.533 0.981 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000418782081 489726986 /nfs/dbraw/zinc/72/69/86/489726986.db2.gz DMLAZEDUJXPBSO-QGZVFWFLSA-N 2 0 356.511 0.897 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000418797530 489729426 /nfs/dbraw/zinc/72/94/26/489729426.db2.gz GBGIFWYMVAJEBD-AWEZNQCLSA-N 2 0 370.856 0.977 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418809990 489733735 /nfs/dbraw/zinc/73/37/35/489733735.db2.gz TZGPMHPJOVVQQK-UHFFFAOYSA-N 2 0 354.495 0.111 20 0 FCADRP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485759 489734722 /nfs/dbraw/zinc/73/47/22/489734722.db2.gz UADYTACUYIVBKU-OKZBNKHCSA-N 2 0 354.539 0.874 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418819182 489737174 /nfs/dbraw/zinc/73/71/74/489737174.db2.gz ODIZFWDGWPEVMS-UZLBHIALSA-N 2 0 358.486 0.978 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418821360 489738128 /nfs/dbraw/zinc/73/81/28/489738128.db2.gz QHXYLHMTXDVKDA-IAGOWNOFSA-N 2 0 362.474 0.209 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCCC1 ZINC000418823950 489740491 /nfs/dbraw/zinc/74/04/91/489740491.db2.gz ADAISNGBCJXXCU-OWCLPIDISA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000418825411 489741733 /nfs/dbraw/zinc/74/17/33/489741733.db2.gz FCNYUJWOHARVQC-DYVFJYSZSA-N 2 0 350.488 0.679 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418827345 489742145 /nfs/dbraw/zinc/74/21/45/489742145.db2.gz GSUVDZCWWCOCRX-MCIONIFRSA-N 2 0 368.503 0.432 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000473918188 489744152 /nfs/dbraw/zinc/74/41/52/489744152.db2.gz JKGHUPYWCLLAHN-UHFFFAOYSA-N 2 0 353.511 0.665 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000418832068 489744346 /nfs/dbraw/zinc/74/43/46/489744346.db2.gz YRPFQKAJBUKMEN-YLJYHZDGSA-N 2 0 358.486 0.926 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418832945 489745874 /nfs/dbraw/zinc/74/58/74/489745874.db2.gz MOVYXDBFIYEFFS-BFHYXJOUSA-N 2 0 352.504 0.971 20 0 FCADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430555625 489746034 /nfs/dbraw/zinc/74/60/34/489746034.db2.gz JDFCPDCANNUPBV-UHFFFAOYSA-N 2 0 368.503 0.984 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836083 489746620 /nfs/dbraw/zinc/74/66/20/489746620.db2.gz PAUMOEIZEJCJJK-UONOGXRCSA-N 2 0 354.495 0.596 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000418834951 489746779 /nfs/dbraw/zinc/74/67/79/489746779.db2.gz MUUZEXIRHUWWDE-LSDHHAIUSA-N 2 0 354.495 0.332 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000418837998 489748983 /nfs/dbraw/zinc/74/89/83/489748983.db2.gz UQMCGWCACNVKCE-ZIAGYGMSSA-N 2 0 352.504 0.925 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600338 489750618 /nfs/dbraw/zinc/75/06/18/489750618.db2.gz HNOBMPAZSJFCID-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600337 489750998 /nfs/dbraw/zinc/75/09/98/489750998.db2.gz HNOBMPAZSJFCID-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1cccs1 ZINC000418840860 489751145 /nfs/dbraw/zinc/75/11/45/489751145.db2.gz YFTYQMUJQPBWMF-ZDUSSCGKSA-N 2 0 352.504 0.973 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000418841503 489751488 /nfs/dbraw/zinc/75/14/88/489751488.db2.gz ZCHCSMBNTMKFHV-OCCSQVGLSA-N 2 0 366.462 0.276 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430609993 489752558 /nfs/dbraw/zinc/75/25/58/489752558.db2.gz JGNDXZMZRNZCTL-WMZOPIPTSA-N 2 0 358.486 0.967 20 0 FCADRP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430611075 489753546 /nfs/dbraw/zinc/75/35/46/489753546.db2.gz MYLPOUKDSXMXHH-GOSISDBHSA-N 2 0 358.486 0.755 20 0 FCADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610855 489753629 /nfs/dbraw/zinc/75/36/29/489753629.db2.gz LUJKAMWPKPFKAU-INIZCTEOSA-N 2 0 362.474 0.141 20 0 FCADRP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613946 489753906 /nfs/dbraw/zinc/75/39/06/489753906.db2.gz XVJGQXQBSNYIBY-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000418847501 489754124 /nfs/dbraw/zinc/75/41/24/489754124.db2.gz JIGMNVRWOOVKLO-QZTJIDSGSA-N 2 0 360.502 0.876 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000418847243 489754191 /nfs/dbraw/zinc/75/41/91/489754191.db2.gz IXKFNUSABAXQFK-QZTJIDSGSA-N 2 0 360.502 0.876 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc21 ZINC000430621243 489756443 /nfs/dbraw/zinc/75/64/43/489756443.db2.gz CMWXMZDLYZPNBV-KRWDZBQOSA-N 2 0 356.470 0.720 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000418850472 489756755 /nfs/dbraw/zinc/75/67/55/489756755.db2.gz NYGKOZNTYJLOBA-WBVHZDCISA-N 2 0 374.485 0.898 20 0 FCADRP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630978 489757177 /nfs/dbraw/zinc/75/71/77/489757177.db2.gz SJRNXJLCYJOLLA-KRWDZBQOSA-N 2 0 374.485 0.455 20 0 FCADRP CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000430631869 489758574 /nfs/dbraw/zinc/75/85/74/489758574.db2.gz VUUHMPOFHXXYFR-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000418854745 489758705 /nfs/dbraw/zinc/75/87/05/489758705.db2.gz UAFDXZJKRHHOBN-CQSZACIVSA-N 2 0 352.504 0.973 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632625 489758775 /nfs/dbraw/zinc/75/87/75/489758775.db2.gz YEHPZHSWYWTDQP-KBPBESRZSA-N 2 0 367.494 0.320 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633295 489759232 /nfs/dbraw/zinc/75/92/32/489759232.db2.gz ZQSWMUYSYFWUPH-IKGGRYGDSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430632676 489759367 /nfs/dbraw/zinc/75/93/67/489759367.db2.gz ZAOPKQNWAFQKGN-QWHCGFSZSA-N 2 0 368.503 0.570 20 0 FCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642070 489760226 /nfs/dbraw/zinc/76/02/26/489760226.db2.gz UPCSMQVGOUPZIQ-OLZOCXBDSA-N 2 0 362.430 0.529 20 0 FCADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638077 489760254 /nfs/dbraw/zinc/76/02/54/489760254.db2.gz CBXSOOQWGNFFSN-NVXWUHKLSA-N 2 0 374.489 0.059 20 0 FCADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637669 489760790 /nfs/dbraw/zinc/76/07/90/489760790.db2.gz BKYAADPERPVDMT-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)[NH+](C)C)c1 ZINC000418860757 489762132 /nfs/dbraw/zinc/76/21/32/489762132.db2.gz MFQUZSOWCFFGBV-NUJGCVRESA-N 2 0 374.485 0.482 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418861101 489762207 /nfs/dbraw/zinc/76/22/07/489762207.db2.gz MLZNVINPUHJKBU-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000418861138 489762663 /nfs/dbraw/zinc/76/26/63/489762663.db2.gz MQCNDCDBPRKVLN-ZIAGYGMSSA-N 2 0 366.487 0.187 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418862340 489763911 /nfs/dbraw/zinc/76/39/11/489763911.db2.gz ODBFDUXFRGZVRL-SQNIBIBYSA-N 2 0 356.470 0.730 20 0 FCADRP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671294 489764859 /nfs/dbraw/zinc/76/48/59/489764859.db2.gz XKMPKCKEEWVABR-GJZGRUSLSA-N 2 0 364.515 0.897 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671063 489764873 /nfs/dbraw/zinc/76/48/73/489764873.db2.gz XBQDUXGDXDGGIB-CABCVRRESA-N 2 0 367.494 0.001 20 0 FCADRP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671292 489764925 /nfs/dbraw/zinc/76/49/25/489764925.db2.gz XKMPKCKEEWVABR-CABCVRRESA-N 2 0 364.515 0.897 20 0 FCADRP Cc1c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)nnn1C1CC[NH2+]CC1 ZINC000430694078 489765066 /nfs/dbraw/zinc/76/50/66/489765066.db2.gz CUUNVYXYSPBQHY-UHFFFAOYSA-N 2 0 352.402 1.344 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418865387 489765193 /nfs/dbraw/zinc/76/51/93/489765193.db2.gz RRNKXHGOUKPWJE-YOEHRIQHSA-N 2 0 362.474 0.530 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418867230 489766144 /nfs/dbraw/zinc/76/61/44/489766144.db2.gz URMCVPRSRYEELT-UONOGXRCSA-N 2 0 350.488 0.855 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418867228 489766274 /nfs/dbraw/zinc/76/62/74/489766274.db2.gz URMCVPRSRYEELT-KGLIPLIRSA-N 2 0 350.488 0.855 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000418871619 489768214 /nfs/dbraw/zinc/76/82/14/489768214.db2.gz USZVRKXEDWZDOR-KLAILNCOSA-N 2 0 350.507 0.966 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000418875040 489769477 /nfs/dbraw/zinc/76/94/77/489769477.db2.gz CLGOKYFARRKBAG-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418875618 489769807 /nfs/dbraw/zinc/76/98/07/489769807.db2.gz KYFKCAAQOYCQEU-PBHICJAKSA-N 2 0 362.474 0.754 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418875130 489770023 /nfs/dbraw/zinc/77/00/23/489770023.db2.gz VTIZGVLZAFUNKV-KRWDZBQOSA-N 2 0 374.485 0.391 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418875621 489770289 /nfs/dbraw/zinc/77/02/89/489770289.db2.gz KYFKCAAQOYCQEU-YOEHRIQHSA-N 2 0 362.474 0.754 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cn1 ZINC000430785609 489770530 /nfs/dbraw/zinc/77/05/30/489770530.db2.gz XLOCHEFMCQDRDO-INIZCTEOSA-N 2 0 358.446 0.242 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000418877359 489770797 /nfs/dbraw/zinc/77/07/97/489770797.db2.gz OMNFVLHNUPCCNM-MSOLQXFVSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418881706 489773575 /nfs/dbraw/zinc/77/35/75/489773575.db2.gz RNLUPBUESNESPF-INMHGKMJSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430894028 489775176 /nfs/dbraw/zinc/77/51/76/489775176.db2.gz JBJDZFLQGGHDQA-HNNXBMFYSA-N 2 0 350.467 0.352 20 0 FCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430951305 489780468 /nfs/dbraw/zinc/78/04/68/489780468.db2.gz LEFQRGJRWJUXDJ-RYUDHWBXSA-N 2 0 354.476 0.720 20 0 FCADRP COCC[C@@]1(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000431019917 489785314 /nfs/dbraw/zinc/78/53/14/489785314.db2.gz UJHFZUUHWUBXCL-IBGZPJMESA-N 2 0 361.490 0.466 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)COC1C[NH2+]C1 ZINC000431025669 489785336 /nfs/dbraw/zinc/78/53/36/489785336.db2.gz UFXFJDUIMVEORW-UHFFFAOYSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000459905873 489786376 /nfs/dbraw/zinc/78/63/76/489786376.db2.gz NZLHTUSLHXLZPW-UHFFFAOYSA-N 2 0 369.554 0.129 20 0 FCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034613 489786670 /nfs/dbraw/zinc/78/66/70/489786670.db2.gz YLIHFFBIKATUFT-CYBMUJFWSA-N 2 0 366.487 0.737 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459908582 489787201 /nfs/dbraw/zinc/78/72/01/489787201.db2.gz QPIISSOCBNGGGE-DLBZAZTESA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)C2)CC1 ZINC000555877648 491278906 /nfs/dbraw/zinc/27/89/06/491278906.db2.gz UTLRQGRSSQRCIX-INIZCTEOSA-N 2 0 363.510 0.688 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000491073334 489793981 /nfs/dbraw/zinc/79/39/81/489793981.db2.gz DCMJHFRMODBFLP-GOSISDBHSA-N 2 0 352.523 0.726 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000459923722 489795133 /nfs/dbraw/zinc/79/51/33/489795133.db2.gz UCVBJVOQOZSLDS-QGZVFWFLSA-N 2 0 366.506 0.111 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000459922696 489795361 /nfs/dbraw/zinc/79/53/61/489795361.db2.gz RHABKPQOQLHVRR-KRWDZBQOSA-N 2 0 350.507 0.731 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000418933349 489795517 /nfs/dbraw/zinc/79/55/17/489795517.db2.gz ZTNRSLHKACNFRX-HOTGVXAUSA-N 2 0 356.511 0.291 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418940897 489797109 /nfs/dbraw/zinc/79/71/09/489797109.db2.gz JTCCEWKCOQFZCB-IRXDYDNUSA-N 2 0 362.474 0.199 20 0 FCADRP CC(C)C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000570999786 491279437 /nfs/dbraw/zinc/27/94/37/491279437.db2.gz YLFDSDPDBFKBSM-IRXDYDNUSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000418949855 489801919 /nfs/dbraw/zinc/80/19/19/489801919.db2.gz QALQCYABQCSLKW-JQHSSLGASA-N 2 0 358.486 0.976 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418956850 489803668 /nfs/dbraw/zinc/80/36/68/489803668.db2.gz CTGGQESRJOCPEA-UHFFFAOYSA-N 2 0 362.474 0.455 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418958519 489804424 /nfs/dbraw/zinc/80/44/24/489804424.db2.gz GJKQZFAGEMJPHP-QGZVFWFLSA-N 2 0 374.485 0.727 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459997729 489812931 /nfs/dbraw/zinc/81/29/31/489812931.db2.gz TYBAVOJXWTXQLF-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000419003600 489814258 /nfs/dbraw/zinc/81/42/58/489814258.db2.gz DFIAVEZPPSOYPB-GOSISDBHSA-N 2 0 374.485 0.475 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000419021615 489820211 /nfs/dbraw/zinc/82/02/11/489820211.db2.gz UAYXLHUTNIQYAG-INIZCTEOSA-N 2 0 358.486 0.967 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023856 489821858 /nfs/dbraw/zinc/82/18/58/489821858.db2.gz KASPDQOFQNPGTE-CVEARBPZSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419029325 489824462 /nfs/dbraw/zinc/82/44/62/489824462.db2.gz RRKNDBOYAZXFSC-NXOAAHMSSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419030051 489825023 /nfs/dbraw/zinc/82/50/23/489825023.db2.gz GWTHSZALGJBSPL-UHFFFAOYSA-N 2 0 356.536 0.708 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000419032276 489826041 /nfs/dbraw/zinc/82/60/41/489826041.db2.gz AVWUEUSBCUQOEL-TWMKSMIVSA-N 2 0 368.522 0.626 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000460039396 489828016 /nfs/dbraw/zinc/82/80/16/489828016.db2.gz XSLDFULMBHDQFQ-ZWKOTPCHSA-N 2 0 360.502 0.936 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000419036369 489828392 /nfs/dbraw/zinc/82/83/92/489828392.db2.gz GJINSWXKEKBSTA-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000419040141 489830229 /nfs/dbraw/zinc/83/02/29/489830229.db2.gz MDHSTXUGNMSKEK-JYJNAYRXSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419043372 489831349 /nfs/dbraw/zinc/83/13/49/489831349.db2.gz JIDXRSAFHDHRAG-RDJZCZTQSA-N 2 0 362.474 0.290 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419044686 489831995 /nfs/dbraw/zinc/83/19/95/489831995.db2.gz QPWIBKBDTVXKTH-INIZCTEOSA-N 2 0 354.495 0.332 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000419045859 489833207 /nfs/dbraw/zinc/83/32/07/489833207.db2.gz UAQGHXQVZMGYFU-KRWDZBQOSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419047956 489834205 /nfs/dbraw/zinc/83/42/05/489834205.db2.gz UTRJNKGHZAZSOE-DJIMGWMZSA-N 2 0 360.458 0.124 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419047054 489834247 /nfs/dbraw/zinc/83/42/47/489834247.db2.gz RGJOVGBORCCDSX-BZUAXINKSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058235 489836432 /nfs/dbraw/zinc/83/64/32/489836432.db2.gz QTVNETSFXLCAAZ-RDJZCZTQSA-N 2 0 366.506 0.251 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419056431 489837500 /nfs/dbraw/zinc/83/75/00/489837500.db2.gz LMKLLMLAVWCEMD-KZNAEPCWSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C[C@@H]1[NH+](C)C ZINC000460064967 489839752 /nfs/dbraw/zinc/83/97/52/489839752.db2.gz XLKCQZRYIZSZLA-INMHGKMJSA-N 2 0 366.506 0.107 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069166 489843572 /nfs/dbraw/zinc/84/35/72/489843572.db2.gz GBXUQUYREMOEPQ-DOTOQJQBSA-N 2 0 362.474 0.754 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419078042 489848212 /nfs/dbraw/zinc/84/82/12/489848212.db2.gz SJXQPQUGFOADBB-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419091135 489852170 /nfs/dbraw/zinc/85/21/70/489852170.db2.gz VTGNLARYPPSEEV-OWCLPIDISA-N 2 0 368.522 0.496 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419103970 489856365 /nfs/dbraw/zinc/85/63/65/489856365.db2.gz GUVCAWCVPGHYCX-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H](C)[NH2+]1 ZINC000419111402 489859840 /nfs/dbraw/zinc/85/98/40/489859840.db2.gz OOCJRSMQBPZWBH-BETUJISGSA-N 2 0 350.438 0.712 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000460277982 489861365 /nfs/dbraw/zinc/86/13/65/489861365.db2.gz UKXIAHHZDYNHFD-RYRKJORJSA-N 2 0 354.495 0.120 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000460277980 489861656 /nfs/dbraw/zinc/86/16/56/489861656.db2.gz UKXIAHHZDYNHFD-JZXOWHBKSA-N 2 0 354.495 0.120 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000419115255 489861809 /nfs/dbraw/zinc/86/18/09/489861809.db2.gz SWLVWEBUOJSUGT-CZUORRHYSA-N 2 0 350.438 0.747 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000476028675 489862236 /nfs/dbraw/zinc/86/22/36/489862236.db2.gz CUQCHPJBTUXOEF-KRWDZBQOSA-N 2 0 356.511 0.896 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419119973 489864689 /nfs/dbraw/zinc/86/46/89/489864689.db2.gz KRGFOBOWCCYDNU-QZWWFDLISA-N 2 0 350.507 0.953 20 0 FCADRP CNS(=O)(=O)c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433112389 489866834 /nfs/dbraw/zinc/86/68/34/489866834.db2.gz APSRNUNEHMRIFG-UHFFFAOYSA-N 2 0 354.476 0.737 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCCC1 ZINC000419123563 489867374 /nfs/dbraw/zinc/86/73/74/489867374.db2.gz HBTISGFMFZBTAW-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433141761 489868468 /nfs/dbraw/zinc/86/84/68/489868468.db2.gz BFWDGZWWVPBUGR-HOTGVXAUSA-N 2 0 368.522 0.579 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146064 489868476 /nfs/dbraw/zinc/86/84/76/489868476.db2.gz KBSPFDWKQQLMQX-UKRRQHHQSA-N 2 0 360.524 0.024 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCNC(=O)c2ccc(F)cc2)CC1 ZINC000433151947 489868576 /nfs/dbraw/zinc/86/85/76/489868576.db2.gz KBWQUOUDNLKERV-UHFFFAOYSA-N 2 0 350.438 0.875 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419979678 489871572 /nfs/dbraw/zinc/87/15/72/489871572.db2.gz PUSDPSNLGRKQRX-XHSDSOJGSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419979357 489871744 /nfs/dbraw/zinc/87/17/44/489871744.db2.gz PHFDLHUYSAKCBR-CVEARBPZSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419993962 489875541 /nfs/dbraw/zinc/87/55/41/489875541.db2.gz KZURVQYXINDFQF-ILXRZTDVSA-N 2 0 354.495 0.188 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000420001305 489877675 /nfs/dbraw/zinc/87/76/75/489877675.db2.gz PTFUNZOUOVUZNA-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420010295 489880020 /nfs/dbraw/zinc/88/00/20/489880020.db2.gz GTACPYHEUWWSQR-MRXNPFEDSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420019470 489882407 /nfs/dbraw/zinc/88/24/07/489882407.db2.gz QZJDBMZJVSRVKR-QKPAOTATSA-N 2 0 354.495 0.236 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433420892 489882434 /nfs/dbraw/zinc/88/24/34/489882434.db2.gz GZHQMYHGRDRXHR-HUUCEWRRSA-N 2 0 350.467 0.289 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420026220 489884879 /nfs/dbraw/zinc/88/48/79/489884879.db2.gz ZXDAUMISLZTCQQ-XIRDDKMYSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030413 489886301 /nfs/dbraw/zinc/88/63/01/489886301.db2.gz GOMRMXPKQOEFKL-HIFRSBDPSA-N 2 0 366.462 0.399 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433470150 489887708 /nfs/dbraw/zinc/88/77/08/489887708.db2.gz YGWVWOTXMGEDSS-ROUUACIJSA-N 2 0 369.554 0.813 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420050587 489893678 /nfs/dbraw/zinc/89/36/78/489893678.db2.gz ZEJJDIAAOQADSN-KKUMJFAQSA-N 2 0 354.495 0.406 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420053149 489894489 /nfs/dbraw/zinc/89/44/89/489894489.db2.gz IMMRAZGZNBNGIH-GASCZTMLSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062008 489898918 /nfs/dbraw/zinc/89/89/18/489898918.db2.gz MJAALQOMKDVYEQ-HIFRSBDPSA-N 2 0 354.495 0.406 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420065205 489899838 /nfs/dbraw/zinc/89/98/38/489899838.db2.gz XINGFNGMMHMLMH-MRXNPFEDSA-N 2 0 361.490 0.748 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420064104 489900218 /nfs/dbraw/zinc/90/02/18/489900218.db2.gz OGZCJSDTMOETGM-GOSISDBHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070090 489902720 /nfs/dbraw/zinc/90/27/20/489902720.db2.gz JEQMWEDZHYVADI-PBHICJAKSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420075479 489904036 /nfs/dbraw/zinc/90/40/36/489904036.db2.gz SPEYWCPZMZQPMT-MRXNPFEDSA-N 2 0 350.463 0.804 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091168 489908213 /nfs/dbraw/zinc/90/82/13/489908213.db2.gz MMFFZKSBCUFPHB-HXUWFJFHSA-N 2 0 374.485 0.079 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000420090494 489908361 /nfs/dbraw/zinc/90/83/61/489908361.db2.gz AUISKCLSDGKLOH-UHFFFAOYSA-N 2 0 362.474 0.583 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000420092227 489909187 /nfs/dbraw/zinc/90/91/87/489909187.db2.gz HMJYXOUPGNUXGQ-AWEZNQCLSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097688 489911163 /nfs/dbraw/zinc/91/11/63/489911163.db2.gz AFQJTXLYLKSDQH-YOEHRIQHSA-N 2 0 364.465 0.973 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000495125619 489927415 /nfs/dbraw/zinc/92/74/15/489927415.db2.gz AXOGKRGJOFMYBJ-JKSUJKDBSA-N 2 0 370.538 0.972 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141417 489928466 /nfs/dbraw/zinc/92/84/66/489928466.db2.gz ZITDPQQBUFIBGV-GDAAHCPNSA-N 2 0 370.497 0.834 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000477029242 489933149 /nfs/dbraw/zinc/93/31/49/489933149.db2.gz QYYLITJHDUJRRM-CVEARBPZSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420156390 489935008 /nfs/dbraw/zinc/93/50/08/489935008.db2.gz MXRCYDUHRIHNFN-CQSZACIVSA-N 2 0 352.454 0.830 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000571157677 491289324 /nfs/dbraw/zinc/28/93/24/491289324.db2.gz YCMYERRFLSYHBD-BVIKNXMNSA-N 2 0 360.502 0.530 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420165566 489937549 /nfs/dbraw/zinc/93/75/49/489937549.db2.gz NQFDHBAAYMMDHH-AEFFLSMTSA-N 2 0 360.502 0.888 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000571157679 491289427 /nfs/dbraw/zinc/28/94/27/491289427.db2.gz YCMYERRFLSYHBD-UIBIWLFHSA-N 2 0 360.502 0.530 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420173065 489939785 /nfs/dbraw/zinc/93/97/85/489939785.db2.gz WJBATKOJNNPQQJ-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420173067 489940008 /nfs/dbraw/zinc/94/00/08/489940008.db2.gz WJBATKOJNNPQQJ-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000477075620 489940151 /nfs/dbraw/zinc/94/01/51/489940151.db2.gz ZJDJXLLYPRKSMI-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000420174142 489940710 /nfs/dbraw/zinc/94/07/10/489940710.db2.gz SQEHXGQQXBAUIN-CYBMUJFWSA-N 2 0 370.444 0.969 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000477104619 489943706 /nfs/dbraw/zinc/94/37/06/489943706.db2.gz ZXORJULIJOXEBQ-HZPDHXFCSA-N 2 0 356.511 0.306 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420184643 489944137 /nfs/dbraw/zinc/94/41/37/489944137.db2.gz IPDNTFQAEYRVNN-HNNXBMFYSA-N 2 0 368.503 0.133 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000420201475 489950345 /nfs/dbraw/zinc/95/03/45/489950345.db2.gz FIDLIYWSKBXEGA-OVYGPGRDSA-N 2 0 366.506 0.106 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420204700 489951381 /nfs/dbraw/zinc/95/13/81/489951381.db2.gz SQSHATSANHGHPE-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420203340 489951639 /nfs/dbraw/zinc/95/16/39/489951639.db2.gz ODZLMTSGSAQGAO-DOTOQJQBSA-N 2 0 374.485 0.583 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000420206326 489952402 /nfs/dbraw/zinc/95/24/02/489952402.db2.gz OTEWKIWCJMMWBH-UHFFFAOYSA-N 2 0 360.458 0.650 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420207298 489952784 /nfs/dbraw/zinc/95/27/84/489952784.db2.gz UGADWZSMYUSETN-IXDOHACOSA-N 2 0 366.506 0.204 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299645 489961752 /nfs/dbraw/zinc/96/17/52/489961752.db2.gz UEOVNXYDXQIIQU-NWDGAFQWSA-N 2 0 350.385 0.327 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000420327510 489963456 /nfs/dbraw/zinc/96/34/56/489963456.db2.gz GMWXNTSRCXICOV-DFEOGRTESA-N 2 0 351.491 0.985 20 0 FCADRP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324991 489963753 /nfs/dbraw/zinc/96/37/53/489963753.db2.gz HTJRGYGJPSGYBR-ZIFCJYIRSA-N 2 0 358.486 0.911 20 0 FCADRP [NH3+]C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000420389950 489970767 /nfs/dbraw/zinc/97/07/67/489970767.db2.gz MRLRNZCXNRCJTN-IBGZPJMESA-N 2 0 360.502 0.948 20 0 FCADRP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406158 489972322 /nfs/dbraw/zinc/97/23/22/489972322.db2.gz QEPXXNHQKYDYAU-LSDHHAIUSA-N 2 0 363.458 0.459 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000420409001 489972671 /nfs/dbraw/zinc/97/26/71/489972671.db2.gz VCPULKJJDTXMCB-ROUUACIJSA-N 2 0 360.502 0.849 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420415564 489973316 /nfs/dbraw/zinc/97/33/16/489973316.db2.gz BCJDYTBNWDCNSU-WFASDCNBSA-N 2 0 357.524 0.809 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462405082 489973740 /nfs/dbraw/zinc/97/37/40/489973740.db2.gz ADPXJZRNRWNWTF-MRXNPFEDSA-N 2 0 352.460 0.348 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000477615581 489977683 /nfs/dbraw/zinc/97/76/83/489977683.db2.gz LZSCLTOHWGVAPF-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Br)cn1 ZINC000420446355 489978034 /nfs/dbraw/zinc/97/80/34/489978034.db2.gz BGKANPTTYGHSMQ-UHFFFAOYSA-N 2 0 351.270 0.532 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420453670 489979896 /nfs/dbraw/zinc/97/98/96/489979896.db2.gz DDQXUJJFNFJALM-AWEZNQCLSA-N 2 0 357.524 0.728 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000477683580 489984563 /nfs/dbraw/zinc/98/45/63/489984563.db2.gz PGUNTSYUBAPHLV-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000477706875 489986245 /nfs/dbraw/zinc/98/62/45/489986245.db2.gz ZCGQCKVOGBQQTD-MRXNPFEDSA-N 2 0 366.506 0.347 20 0 FCADRP Cc1nc(SCC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000377955902 489986657 /nfs/dbraw/zinc/98/66/57/489986657.db2.gz NEWQQJNOYLSMMT-UHFFFAOYSA-N 2 0 352.508 0.880 20 0 FCADRP CC[C@@H](C(=O)NCc1cn(C)nc1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000477806243 489991569 /nfs/dbraw/zinc/99/15/69/489991569.db2.gz LHFCJNFPPXYCGW-KBPBESRZSA-N 2 0 352.483 0.655 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378001943 489994275 /nfs/dbraw/zinc/99/42/75/489994275.db2.gz KVJWVJPLBPZWCC-HNNXBMFYSA-N 2 0 367.538 0.959 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887234 489994848 /nfs/dbraw/zinc/99/48/48/489994848.db2.gz ACBYWBNZGKNXAA-ZJPYXAASSA-N 2 0 362.518 0.824 20 0 FCADRP [NH3+]C[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCO1 ZINC000478268240 490013203 /nfs/dbraw/zinc/01/32/03/490013203.db2.gz PZFNRXVVGRCPRI-KRWDZBQOSA-N 2 0 364.515 0.833 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420735979 490015632 /nfs/dbraw/zinc/01/56/32/490015632.db2.gz KTXCYSMSPJQTFS-HNNXBMFYSA-N 2 0 357.524 0.776 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000463494626 490020866 /nfs/dbraw/zinc/02/08/66/490020866.db2.gz TUXUVUAYIIAVOH-UHFFFAOYSA-N 2 0 361.490 0.897 20 0 FCADRP [NH3+]Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000463496714 490020906 /nfs/dbraw/zinc/02/09/06/490020906.db2.gz SKEMRGWKCOGNPH-UHFFFAOYSA-N 3 0 354.458 0.877 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000420842991 490026023 /nfs/dbraw/zinc/02/60/23/490026023.db2.gz NQUIZZPSJDLWNF-MRXNPFEDSA-N 2 0 353.511 0.714 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000378202973 490027932 /nfs/dbraw/zinc/02/79/32/490027932.db2.gz PLEMLYONRZQAFR-IBGZPJMESA-N 2 0 364.465 0.977 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438347035 490034751 /nfs/dbraw/zinc/03/47/51/490034751.db2.gz RIFTWBOKQQEXOB-UHFFFAOYSA-N 2 0 352.483 1.069 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869311 490046635 /nfs/dbraw/zinc/04/66/35/490046635.db2.gz PVLVZEWNVLVPJK-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545154307 490085531 /nfs/dbraw/zinc/08/55/31/490085531.db2.gz JNTCDUACUDGTCQ-HXUWFJFHSA-N 2 0 360.502 0.772 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000495760794 490091607 /nfs/dbraw/zinc/09/16/07/490091607.db2.gz BXPVULSHIQNKAF-UHFFFAOYSA-N 2 0 358.486 0.789 20 0 FCADRP CCC[NH+](C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC000497035034 490136387 /nfs/dbraw/zinc/13/63/87/490136387.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 2 0 358.552 0.730 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748549 490142625 /nfs/dbraw/zinc/14/26/25/490142625.db2.gz UBZSVZKPZPCNKY-MRXNPFEDSA-N 2 0 355.527 0.912 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839716 490147198 /nfs/dbraw/zinc/14/71/98/490147198.db2.gz JJUXCQDMSIHEGR-BZUAXINKSA-N 2 0 353.511 0.711 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556205407 491302931 /nfs/dbraw/zinc/30/29/31/491302931.db2.gz OWICLGHWSSVPHA-PBHICJAKSA-N 2 0 356.536 0.388 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000465950498 490155775 /nfs/dbraw/zinc/15/57/75/490155775.db2.gz OTGKMFGZCROFOW-MSOLQXFVSA-N 3 0 369.554 0.765 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000556209122 491303430 /nfs/dbraw/zinc/30/34/30/491303430.db2.gz VPOZWHPAXKHBQE-QAPCUYQASA-N 2 0 370.563 0.777 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272728 490156791 /nfs/dbraw/zinc/15/67/91/490156791.db2.gz UKNIZEZYJWMKSY-GJRWTSMGSA-N 2 0 366.506 0.223 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000397644509 490166353 /nfs/dbraw/zinc/16/63/53/490166353.db2.gz UNHBAXVEMXPXRA-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000497489758 490168407 /nfs/dbraw/zinc/16/84/07/490168407.db2.gz RBINGPXBMNNSTP-LJQANCHMSA-N 2 0 363.550 0.393 20 0 FCADRP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000466130778 490168706 /nfs/dbraw/zinc/16/87/06/490168706.db2.gz JBZHZGSLGLTKPC-ROUUACIJSA-N 2 0 369.554 0.262 20 0 FCADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608410 490169440 /nfs/dbraw/zinc/16/94/40/490169440.db2.gz XZZAEKKVRASREZ-UXHICEINSA-N 2 0 359.470 0.196 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401122 491305016 /nfs/dbraw/zinc/30/50/16/491305016.db2.gz PYNVTMUBRWYQIF-WMZOPIPTSA-N 2 0 362.522 0.811 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242594 491305288 /nfs/dbraw/zinc/30/52/88/491305288.db2.gz RADVWKCVRSNICT-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000446998377 490181952 /nfs/dbraw/zinc/18/19/52/490181952.db2.gz DJSFPMRKUWDKPI-HKUYNNGSSA-N 2 0 357.539 0.889 20 0 FCADRP COc1nc(N2CC[NH+](C(C)C)CC2)nc(N2CC[NH+](C(C)C)CC2)n1 ZINC000480391383 490185142 /nfs/dbraw/zinc/18/51/42/490185142.db2.gz AEUYUUQRCAUWFK-UHFFFAOYSA-N 2 0 363.510 0.941 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000497685980 490194557 /nfs/dbraw/zinc/19/45/57/490194557.db2.gz FHTMSHLWDOHLDV-IKGGRYGDSA-N 2 0 365.522 0.665 20 0 FCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000564452299 491307892 /nfs/dbraw/zinc/30/78/92/491307892.db2.gz BYUUKJJSEUOOKQ-SQNIBIBYSA-N 2 0 371.485 0.742 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507422524 490220251 /nfs/dbraw/zinc/22/02/51/490220251.db2.gz IFIGJUUNUCGNIU-UHFFFAOYSA-N 2 0 367.494 0.097 20 0 FCADRP CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[NH+](C)C)cc1 ZINC000521272698 490244660 /nfs/dbraw/zinc/24/46/60/490244660.db2.gz FGGVEGOPALKRSV-KURKYZTESA-N 2 0 373.501 0.805 20 0 FCADRP C[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000521643895 490286570 /nfs/dbraw/zinc/28/65/70/490286570.db2.gz RRSNAGUOMDTQOE-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000521675045 490289316 /nfs/dbraw/zinc/28/93/16/490289316.db2.gz ZGVNRLMPGMIQKY-IAGOWNOFSA-N 2 0 368.522 0.281 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000521675047 490289752 /nfs/dbraw/zinc/28/97/52/490289752.db2.gz ZGVNRLMPGMIQKY-SJORKVTESA-N 2 0 368.522 0.281 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000447954358 490304444 /nfs/dbraw/zinc/30/44/44/490304444.db2.gz LFXAEDWCCBPJGL-HUUCEWRRSA-N 2 0 353.511 0.746 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000483405682 490315381 /nfs/dbraw/zinc/31/53/81/490315381.db2.gz VVBGHCZUKLZDDF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000483405683 490315411 /nfs/dbraw/zinc/31/54/11/490315411.db2.gz VVBGHCZUKLZDDF-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cncnc1 ZINC000467599332 490316535 /nfs/dbraw/zinc/31/65/35/490316535.db2.gz CDIGSOFDVWJFAJ-UHFFFAOYSA-N 2 0 369.429 0.139 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000508422899 490328920 /nfs/dbraw/zinc/32/89/20/490328920.db2.gz KYPMEOKPFRQJQL-UHFFFAOYSA-N 2 0 369.554 0.408 20 0 FCADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534272092 490339217 /nfs/dbraw/zinc/33/92/17/490339217.db2.gz QRYOXUGBRZHFTM-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000564729018 491323120 /nfs/dbraw/zinc/32/31/20/491323120.db2.gz WEODXARAKMCJCN-OAHLLOKOSA-N 2 0 353.488 0.532 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000422488598 490354275 /nfs/dbraw/zinc/35/42/75/490354275.db2.gz KLJPAZMQVBZIRT-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COc1cccc(OC)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000547791824 490356992 /nfs/dbraw/zinc/35/69/92/490356992.db2.gz WBRSWBFPUMCFSF-UHFFFAOYSA-N 2 0 359.492 0.818 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422494010 490358132 /nfs/dbraw/zinc/35/81/32/490358132.db2.gz ZINUSWMMFXYSAH-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000498966764 490373941 /nfs/dbraw/zinc/37/39/41/490373941.db2.gz FKOMTHUODDTRIO-QZTJIDSGSA-N 2 0 369.554 0.501 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000522443410 490379818 /nfs/dbraw/zinc/37/98/18/490379818.db2.gz DUGOFBKWCHSLCS-IKGGRYGDSA-N 2 0 365.522 0.855 20 0 FCADRP CC[NH+](C)CCNC(=O)[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342647 490391475 /nfs/dbraw/zinc/39/14/75/490391475.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[NH+](C)C ZINC000411143877 490395535 /nfs/dbraw/zinc/39/55/35/490395535.db2.gz NWQVWABXQYEXII-LBPRGKRZSA-N 2 0 354.426 0.771 20 0 FCADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000548032946 490410110 /nfs/dbraw/zinc/41/01/10/490410110.db2.gz LQWMPSNMXRRRNB-KRWDZBQOSA-N 2 0 369.554 0.501 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000499340575 490414742 /nfs/dbraw/zinc/41/47/42/490414742.db2.gz HBPZLAUQLGLQDC-LSDHHAIUSA-N 2 0 354.495 0.155 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706650 490425092 /nfs/dbraw/zinc/42/50/92/490425092.db2.gz OAGCWESUNYXMEX-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634157 490436580 /nfs/dbraw/zinc/43/65/80/490436580.db2.gz JFSANZSEKYGQAT-UPJWGTAASA-N 2 0 354.476 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000422633593 490436927 /nfs/dbraw/zinc/43/69/27/490436927.db2.gz IODPJAKIBQLIJX-XWTMOSNGSA-N 2 0 354.539 0.765 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000484703483 490457258 /nfs/dbraw/zinc/45/72/58/490457258.db2.gz FMXSQEBYXSJOPE-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000509723998 490458263 /nfs/dbraw/zinc/45/82/63/490458263.db2.gz IAPKWZSUXSRJKO-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422708281 490462987 /nfs/dbraw/zinc/46/29/87/490462987.db2.gz IUTHDQUOVCPURZ-CABCVRRESA-N 2 0 355.508 0.249 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422709175 490463140 /nfs/dbraw/zinc/46/31/40/490463140.db2.gz JXFDLAGHTVSXBA-RBUKOAKNSA-N 2 0 360.502 0.817 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C(C)(C)C ZINC000523469619 490468421 /nfs/dbraw/zinc/46/84/21/490468421.db2.gz AJDNBEAVRWGNEM-CABCVRRESA-N 2 0 355.527 0.992 20 0 FCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751286 490470668 /nfs/dbraw/zinc/47/06/68/490470668.db2.gz BDMGPVCZLYLOBB-NILFDRSVSA-N 2 0 361.895 0.960 20 0 FCADRP C[C@@H]1CC[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000535261131 490471493 /nfs/dbraw/zinc/47/14/93/490471493.db2.gz UZKKULVWFJESBM-HZPDHXFCSA-N 2 0 370.563 0.825 20 0 FCADRP CN1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000500054606 490480649 /nfs/dbraw/zinc/48/06/49/490480649.db2.gz RWLJRYQOEKGXBI-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422840013 490482795 /nfs/dbraw/zinc/48/27/95/490482795.db2.gz RXHJVNOKNOSGSB-NVXWUHKLSA-N 2 0 368.522 0.496 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN(C)S(=O)(=O)CC)CC[NH2+]CC1 ZINC000422858666 490487105 /nfs/dbraw/zinc/48/71/05/490487105.db2.gz IQVQFLZFJDWJDJ-AWEZNQCLSA-N 2 0 363.524 0.569 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000422936350 490502387 /nfs/dbraw/zinc/50/23/87/490502387.db2.gz BKTDKSFGSHPQNJ-ZIAGYGMSSA-N 2 0 361.508 0.321 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980172 490509846 /nfs/dbraw/zinc/50/98/46/490509846.db2.gz OSNHDWJAYBPJAK-IRXDYDNUSA-N 3 0 355.523 0.990 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500432364 490515049 /nfs/dbraw/zinc/51/50/49/490515049.db2.gz CPLDXPRRJQPJOI-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396509 490528077 /nfs/dbraw/zinc/52/80/77/490528077.db2.gz LYCRWIWBRLHUNO-IAGOWNOFSA-N 2 0 367.538 0.912 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000485482531 490533334 /nfs/dbraw/zinc/53/33/34/490533334.db2.gz SVAGQBYMDFHTAH-SJORKVTESA-N 2 0 366.506 0.081 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000423060465 490534169 /nfs/dbraw/zinc/53/41/69/490534169.db2.gz OLPULEMUITULNQ-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423074527 490536365 /nfs/dbraw/zinc/53/63/65/490536365.db2.gz UXWSMTYKZSGLME-GBESFXJTSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CCO1 ZINC000500783950 490553192 /nfs/dbraw/zinc/55/31/92/490553192.db2.gz MBPBMRSTDOLIMC-HNNXBMFYSA-N 2 0 366.506 0.299 20 0 FCADRP COC[C@@]1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000564908665 491335594 /nfs/dbraw/zinc/33/55/94/491335594.db2.gz ZQMPSRJYXKWXDT-LJQANCHMSA-N 2 0 362.474 0.220 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(F)cc1 ZINC000571897908 491336386 /nfs/dbraw/zinc/33/63/86/491336386.db2.gz ZEPLXTWHSBEDBW-BZUAXINKSA-N 2 0 363.437 0.382 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486109356 490591116 /nfs/dbraw/zinc/59/11/16/490591116.db2.gz NCHXYEAVZOOQFG-SJORKVTESA-N 2 0 360.506 0.693 20 0 FCADRP C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000549725311 490597124 /nfs/dbraw/zinc/59/71/24/490597124.db2.gz ATXQUFSISPSREP-UHFFFAOYSA-N 2 0 354.495 0.108 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501591615 490620342 /nfs/dbraw/zinc/62/03/42/490620342.db2.gz VEFOFLQDENBVOM-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000501600108 490620430 /nfs/dbraw/zinc/62/04/30/490620430.db2.gz GIZIKYRRDZLSMY-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000550102675 490624890 /nfs/dbraw/zinc/62/48/90/490624890.db2.gz AJFNGDBQKYIVFO-CVEARBPZSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635905 490628309 /nfs/dbraw/zinc/62/83/09/490628309.db2.gz GVRXVVFZFNJFMG-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501644243 490629140 /nfs/dbraw/zinc/62/91/40/490629140.db2.gz XDKRJHXAOCIYQG-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501645077 490629998 /nfs/dbraw/zinc/62/99/98/490629998.db2.gz YZLZEDZACPHMRR-INIZCTEOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000550129541 490630081 /nfs/dbraw/zinc/63/00/81/490630081.db2.gz ITCOBWLHXSYAFR-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000501651820 490631369 /nfs/dbraw/zinc/63/13/69/490631369.db2.gz YMISONWMPPRCFC-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000525826552 490639536 /nfs/dbraw/zinc/63/95/36/490639536.db2.gz JJTBLAUZSJLKNC-OAHLLOKOSA-N 2 0 374.489 0.182 20 0 FCADRP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848918 490646980 /nfs/dbraw/zinc/64/69/80/490646980.db2.gz HQSOZRSZAOARAS-RTBURBONSA-N 2 0 357.539 0.748 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465091 490671576 /nfs/dbraw/zinc/67/15/76/490671576.db2.gz XNTNTBFPNILNOG-RDJZCZTQSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@H+](C)C1CC1 ZINC000572037385 491344651 /nfs/dbraw/zinc/34/46/51/491344651.db2.gz GKGWKVMRQGGEIQ-KBRIMQKVSA-N 2 0 366.506 0.079 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@H+](C)C1CC1 ZINC000572037384 491344739 /nfs/dbraw/zinc/34/47/39/491344739.db2.gz GKGWKVMRQGGEIQ-COXVUDFISA-N 2 0 366.506 0.079 20 0 FCADRP CCOc1ncccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132239 490678274 /nfs/dbraw/zinc/67/82/74/490678274.db2.gz WSXMXHZYJCJICT-UHFFFAOYSA-N 2 0 351.451 0.371 20 0 FCADRP CCOC(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487012313 490687014 /nfs/dbraw/zinc/68/70/14/490687014.db2.gz AQNFHKSXGFNUNM-XJNFMUPTSA-N 2 0 368.522 0.019 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@@H](C)O1 ZINC000565032787 491346873 /nfs/dbraw/zinc/34/68/73/491346873.db2.gz QIXLDNVOOUTCLP-HUUCEWRRSA-N 2 0 352.483 0.636 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](CC)CC ZINC000565039961 491347859 /nfs/dbraw/zinc/34/78/59/491347859.db2.gz HHPDLBNNCHSSMN-GVDBMIGSSA-N 2 0 365.522 0.854 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C2([NH3+])CCOCC2)[C@@H](c2ccccc2)C1 ZINC000512956541 490704955 /nfs/dbraw/zinc/70/49/55/490704955.db2.gz ZCPZJPNDQTYBRO-GOSISDBHSA-N 2 0 360.502 0.989 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103739 491348594 /nfs/dbraw/zinc/34/85/94/491348594.db2.gz FDOVLMLRHZQJCX-MAUKXSAKSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103736 491348637 /nfs/dbraw/zinc/34/86/37/491348637.db2.gz FDOVLMLRHZQJCX-CRAIPNDOSA-N 2 0 358.486 0.739 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000487444028 490712708 /nfs/dbraw/zinc/71/27/08/490712708.db2.gz SMKDTVWAJPQIAZ-GJZGRUSLSA-N 2 0 363.524 0.473 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000487444030 490713129 /nfs/dbraw/zinc/71/31/29/490713129.db2.gz SMKDTVWAJPQIAZ-HUUCEWRRSA-N 2 0 363.524 0.473 20 0 FCADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000572111558 491349229 /nfs/dbraw/zinc/34/92/29/491349229.db2.gz DDPRRTRZZNKGLN-ZDUSSCGKSA-N 2 0 364.446 0.442 20 0 FCADRP CSc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000527374266 490720691 /nfs/dbraw/zinc/72/06/91/490720691.db2.gz BSWJAOIVYCDKTD-UHFFFAOYSA-N 2 0 353.492 0.694 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478349 490733325 /nfs/dbraw/zinc/73/33/25/490733325.db2.gz XEVMISRSMLQDIE-CVEARBPZSA-N 2 0 370.538 0.696 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503422482 490755494 /nfs/dbraw/zinc/75/54/94/490755494.db2.gz DLXLOCQSOOXXHJ-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP Cc1cc(C)n(-c2ccc(CNC(=O)N3CCN(C)C[C@H]3C[NH3+])cn2)n1 ZINC000557115939 491354269 /nfs/dbraw/zinc/35/42/69/491354269.db2.gz DJNSSAVLBKGSRD-MRXNPFEDSA-N 2 0 357.462 0.668 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000528047507 490773067 /nfs/dbraw/zinc/77/30/67/490773067.db2.gz FXBMBYMCDUWKDX-HNNXBMFYSA-N 2 0 357.524 0.680 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851632 490778984 /nfs/dbraw/zinc/77/89/84/490778984.db2.gz JIZKLBNKFNMNQP-WNRNVDISSA-N 2 0 351.539 0.994 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000514669141 490779953 /nfs/dbraw/zinc/77/99/53/490779953.db2.gz UIOCMJSJFBIPJN-IXDOHACOSA-N 2 0 365.522 0.997 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514737538 490785980 /nfs/dbraw/zinc/78/59/80/490785980.db2.gz XMTOXVMIHLYSOR-BBWFWOEESA-N 2 0 359.474 0.113 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000514848284 490792343 /nfs/dbraw/zinc/79/23/43/490792343.db2.gz SRKRIGGEKQGKLL-HOTGVXAUSA-N 2 0 365.522 0.761 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000514937866 490798640 /nfs/dbraw/zinc/79/86/40/490798640.db2.gz RAIXOCFKEQKLLJ-GFCCVEGCSA-N 2 0 351.476 0.807 20 0 FCADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1)CC1CC1 ZINC000540046431 490806606 /nfs/dbraw/zinc/80/66/06/490806606.db2.gz FHPQFEMOCMTQGB-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322860 490817355 /nfs/dbraw/zinc/81/73/55/490817355.db2.gz ZLDHBDILOZTPKJ-ZHALLVOQSA-N 2 0 356.555 0.414 20 0 FCADRP CC[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000515381346 490823148 /nfs/dbraw/zinc/82/31/48/490823148.db2.gz IFKKEPPTHFKQQI-QZTJIDSGSA-N 2 0 358.486 0.808 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000540573659 490828823 /nfs/dbraw/zinc/82/88/23/490828823.db2.gz ZFONMPPYVTZEAW-INIZCTEOSA-N 2 0 351.495 0.490 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000515523597 490830466 /nfs/dbraw/zinc/83/04/66/490830466.db2.gz IXLRNVFRLWTRRE-BRWVUGGUSA-N 2 0 363.506 0.324 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000540696190 490833740 /nfs/dbraw/zinc/83/37/40/490833740.db2.gz KKNMIKWIPAWADV-MSOLQXFVSA-N 2 0 373.501 0.715 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000515855653 490841147 /nfs/dbraw/zinc/84/11/47/490841147.db2.gz JOFFDOGTGGTDJF-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000515877638 490842259 /nfs/dbraw/zinc/84/22/59/490842259.db2.gz IFNUSHMRZRBUNO-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[NH+](C)CC1 ZINC000572301302 491361165 /nfs/dbraw/zinc/36/11/65/491361165.db2.gz AULPDKLKBVXWPZ-WBVHZDCISA-N 2 0 354.564 0.956 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303548 490848620 /nfs/dbraw/zinc/84/86/20/490848620.db2.gz OIJXUOCYKPVZQM-JKSUJKDBSA-N 2 0 353.511 0.569 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@H]1COCC[NH2+]1 ZINC000529304305 490848750 /nfs/dbraw/zinc/84/87/50/490848750.db2.gz CQIZOSGABSJPOD-KRWDZBQOSA-N 2 0 362.474 0.431 20 0 FCADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000516177681 490854760 /nfs/dbraw/zinc/85/47/60/490854760.db2.gz WWFKQKXCWQLXNK-RRFJBIMHSA-N 2 0 354.520 0.188 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215656 490857389 /nfs/dbraw/zinc/85/73/89/490857389.db2.gz AYSUDEZZVXIKTE-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529379921 490858342 /nfs/dbraw/zinc/85/83/42/490858342.db2.gz LRGRSJOOXWKGHT-BRWVUGGUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529377925 490858648 /nfs/dbraw/zinc/85/86/48/490858648.db2.gz HXKIPTAFLZSFDJ-UXLLHSPISA-N 2 0 354.495 0.506 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000516430660 490863220 /nfs/dbraw/zinc/86/32/20/490863220.db2.gz FJXULZPXSAKPPV-HOTGVXAUSA-N 2 0 353.511 0.476 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000516650383 490872844 /nfs/dbraw/zinc/87/28/44/490872844.db2.gz USWVHRTVDOOZFI-INIZCTEOSA-N 2 0 361.490 0.961 20 0 FCADRP Cc1cc(Cl)cnc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516696344 490875357 /nfs/dbraw/zinc/87/53/57/490875357.db2.gz BYONLYCIJQPMEL-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760115 490876906 /nfs/dbraw/zinc/87/69/06/490876906.db2.gz WAAMYEIKWWKMAJ-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)cn2)CC1 ZINC000516766396 490877363 /nfs/dbraw/zinc/87/73/63/490877363.db2.gz TXHLSMAIVUNYKH-OAHLLOKOSA-N 2 0 370.461 0.429 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000516922617 490884747 /nfs/dbraw/zinc/88/47/47/490884747.db2.gz KEVYBVPLKYRQKW-MSOLQXFVSA-N 2 0 352.523 0.366 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557206250 491359775 /nfs/dbraw/zinc/35/97/75/491359775.db2.gz QQDDWKZWVFMSPH-IRXDYDNUSA-N 2 0 373.501 0.723 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517059593 490893405 /nfs/dbraw/zinc/89/34/05/490893405.db2.gz WGLOTFUUSCVPOQ-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)CC1 ZINC000565204467 491360203 /nfs/dbraw/zinc/36/02/03/491360203.db2.gz OCIDKVUCIQAMCD-QZTJIDSGSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000542778707 490908511 /nfs/dbraw/zinc/90/85/11/490908511.db2.gz HHFIZSRMCNVUBO-VAMGGRTRSA-N 2 0 372.513 0.376 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000517567067 490912522 /nfs/dbraw/zinc/91/25/22/490912522.db2.gz YWMVRPSAOXEJTF-HNNXBMFYSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000530565468 490912808 /nfs/dbraw/zinc/91/28/08/490912808.db2.gz IBKNXKJAXGRCAI-HNNXBMFYSA-N 2 0 374.489 0.182 20 0 FCADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530679681 490918965 /nfs/dbraw/zinc/91/89/65/490918965.db2.gz YEVJJIIQHQDLND-FPOVZHCZSA-N 2 0 373.497 0.804 20 0 FCADRP Cc1noc(CCCNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000517911979 490924360 /nfs/dbraw/zinc/92/43/60/490924360.db2.gz JHFUBKNONGLXNX-UHFFFAOYSA-N 2 0 352.483 0.978 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000517968738 490926818 /nfs/dbraw/zinc/92/68/18/490926818.db2.gz HNQQAXJXCMKZLD-CEXWTWQISA-N 2 0 372.513 0.971 20 0 FCADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000518380828 490938812 /nfs/dbraw/zinc/93/88/12/490938812.db2.gz AZHLSNQBMZMUOT-FQEVSTJZSA-N 2 0 371.529 0.310 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CCN2C1=O ZINC000565251443 491365559 /nfs/dbraw/zinc/36/55/59/491365559.db2.gz SDXVFJMYOMJJDW-RRFJBIMHSA-N 2 0 361.446 0.370 20 0 FCADRP CC(=O)N1CC[C@](C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000531087260 490940008 /nfs/dbraw/zinc/94/00/08/490940008.db2.gz FKVIFYMJCLCPGI-FQEVSTJZSA-N 2 0 373.501 0.968 20 0 FCADRP CC(C)CN1C[C@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374183 491365636 /nfs/dbraw/zinc/36/56/36/491365636.db2.gz IJUYXVXMWVMMJZ-JKSUJKDBSA-N 2 0 351.495 0.262 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000565255802 491366261 /nfs/dbraw/zinc/36/62/61/491366261.db2.gz VAABUSPCNOJZDU-UHFFFAOYSA-N 2 0 371.526 0.245 20 0 FCADRP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357911 490953561 /nfs/dbraw/zinc/95/35/61/490953561.db2.gz PHIJTZNYPITMOC-AWEZNQCLSA-N 2 0 374.489 0.633 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000565256392 491366440 /nfs/dbraw/zinc/36/64/40/491366440.db2.gz ZJURSNJBKHCQBO-PMPSAXMXSA-N 2 0 365.522 0.840 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000544504986 490970533 /nfs/dbraw/zinc/97/05/33/490970533.db2.gz MCCGXZZOFQDLAY-UHFFFAOYSA-N 2 0 365.478 0.766 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000519558199 490976775 /nfs/dbraw/zinc/97/67/75/490976775.db2.gz PZJYRRKEQFGPFG-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000519604118 490978900 /nfs/dbraw/zinc/97/89/00/490978900.db2.gz ZGTVRJIEDQUUGH-UHFFFAOYSA-N 2 0 371.489 0.304 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000544784872 490981428 /nfs/dbraw/zinc/98/14/28/490981428.db2.gz IYLUNVLFWCMSOX-GOSISDBHSA-N 2 0 352.523 0.367 20 0 FCADRP CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000519673800 490983453 /nfs/dbraw/zinc/98/34/53/490983453.db2.gz VJZNVOMMMFTAOH-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000519754343 490988162 /nfs/dbraw/zinc/98/81/62/490988162.db2.gz NLAGDQOBFBOSJO-HNNXBMFYSA-N 2 0 358.486 0.399 20 0 FCADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000532394038 490992215 /nfs/dbraw/zinc/99/22/15/490992215.db2.gz QNVHJZFFJUBWNI-UHFFFAOYSA-N 2 0 362.522 0.553 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000553904472 491163278 /nfs/dbraw/zinc/16/32/78/491163278.db2.gz ZHRMWPZXRIAWLE-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)COC1CCOCC1 ZINC000569568171 491168872 /nfs/dbraw/zinc/16/88/72/491168872.db2.gz GLLHXLMYRMUNMC-BHIYHBOVSA-N 2 0 356.507 0.900 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000569576927 491170468 /nfs/dbraw/zinc/17/04/68/491170468.db2.gz FYSODGQWJSUGLV-KSTDHSDQSA-N 2 0 351.495 0.370 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000562773120 491188194 /nfs/dbraw/zinc/18/81/94/491188194.db2.gz HZXZAFLXQGXVDZ-MRXNPFEDSA-N 2 0 356.511 0.306 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCC[NH2+]1 ZINC000572467124 491371913 /nfs/dbraw/zinc/37/19/13/491371913.db2.gz HWQVEDBEARSSNF-MAUKXSAKSA-N 2 0 354.495 0.650 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372205 491372779 /nfs/dbraw/zinc/37/27/79/491372779.db2.gz JADKKFSOYBGPCR-HZPDHXFCSA-N 2 0 351.495 0.596 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCS1 ZINC000572605963 491380923 /nfs/dbraw/zinc/38/09/23/491380923.db2.gz USQGCLYWXVKSNJ-OAHLLOKOSA-N 2 0 358.552 0.538 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000565655678 491391533 /nfs/dbraw/zinc/39/15/33/491391533.db2.gz VYGORHQPBQUWTK-HZPDHXFCSA-N 2 0 363.506 0.710 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742096 491395304 /nfs/dbraw/zinc/39/53/04/491395304.db2.gz JPFZZJRJDMYFAE-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CCCC2)CCCO1 ZINC000557744012 491396057 /nfs/dbraw/zinc/39/60/57/491396057.db2.gz YCUGSWGQFITSOK-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000572886503 491399847 /nfs/dbraw/zinc/39/98/47/491399847.db2.gz QIWOWSPDJWIIAR-UHFFFAOYSA-N 2 0 356.430 1.054 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573104439 491413175 /nfs/dbraw/zinc/41/31/75/491413175.db2.gz HYUBGUWZYAAVPE-DLBZAZTESA-N 2 0 365.522 0.664 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000558105940 491414279 /nfs/dbraw/zinc/41/42/79/491414279.db2.gz ZBIFFGNXBBDCPA-USXIJHARSA-N 2 0 368.522 0.327 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000558134537 491415963 /nfs/dbraw/zinc/41/59/63/491415963.db2.gz DSMUKWTWJXIZJE-QGZVFWFLSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1F ZINC000573187664 491417946 /nfs/dbraw/zinc/41/79/46/491417946.db2.gz BMNXCRBWUYESOV-CYBMUJFWSA-N 2 0 366.437 0.902 20 0 FCADRP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000573201528 491418705 /nfs/dbraw/zinc/41/87/05/491418705.db2.gz ANSIMIQRPDERMG-FGYAAKKASA-N 2 0 370.582 0.540 20 0 FCADRP CC(C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](C)CC1 ZINC000566181299 491423815 /nfs/dbraw/zinc/42/38/15/491423815.db2.gz RMGCAFJLWWBTSS-DOTOQJQBSA-N 2 0 363.510 0.032 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000573429839 491432725 /nfs/dbraw/zinc/43/27/25/491432725.db2.gz IDAWKTXVNWXASQ-KRWDZBQOSA-N 2 0 362.474 0.530 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566296934 491433654 /nfs/dbraw/zinc/43/36/54/491433654.db2.gz AACINJNCNQMGGG-QGZVFWFLSA-N 2 0 362.522 0.352 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000573547201 491439910 /nfs/dbraw/zinc/43/99/10/491439910.db2.gz XQPIDOOFYBBIFC-LZQZEXGQSA-N 2 0 372.513 0.874 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000566413884 491442026 /nfs/dbraw/zinc/44/20/26/491442026.db2.gz KXRLXGGYENPWFG-HNNXBMFYSA-N 2 0 352.523 0.929 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000573799953 491455705 /nfs/dbraw/zinc/45/57/05/491455705.db2.gz LMSNPBARWWIUAQ-AEFFLSMTSA-N 2 0 359.474 0.591 20 0 FCADRP C[C@H](CN1CCOCC1)NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000566699310 491461674 /nfs/dbraw/zinc/46/16/74/491461674.db2.gz BCXYZZSVLDEHNW-OAHLLOKOSA-N 2 0 365.478 0.542 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310683 491464139 /nfs/dbraw/zinc/46/41/39/491464139.db2.gz CJCBORPNSQJFED-HXUWFJFHSA-N 2 0 372.517 0.933 20 0 FCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573963560 491466168 /nfs/dbraw/zinc/46/61/68/491466168.db2.gz DCSIAHVPIQPJBO-BZSNNMDCSA-N 2 0 371.485 0.742 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000559363408 491467638 /nfs/dbraw/zinc/46/76/38/491467638.db2.gz KGGRSAVGCHYYKD-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000559396433 491470034 /nfs/dbraw/zinc/47/00/34/491470034.db2.gz NFHIIDDBOCQGOP-HOTGVXAUSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000559405676 491470732 /nfs/dbraw/zinc/47/07/32/491470732.db2.gz OPMUMZKEOZMLAC-NJAFHUGGSA-N 2 0 358.486 0.976 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000559416726 491471053 /nfs/dbraw/zinc/47/10/53/491471053.db2.gz SPKGIHPSBVGYAP-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412747 491471063 /nfs/dbraw/zinc/47/10/63/491471063.db2.gz UOSOYOSZMYQXMP-ZWKOTPCHSA-N 2 0 360.502 0.828 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000559439705 491472586 /nfs/dbraw/zinc/47/25/86/491472586.db2.gz MDDGZFBTNXGRGJ-OWCLPIDISA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000559439703 491472612 /nfs/dbraw/zinc/47/26/12/491472612.db2.gz MDDGZFBTNXGRGJ-HRCADAONSA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441095 491473447 /nfs/dbraw/zinc/47/34/47/491473447.db2.gz KDULEBHLMVSJLD-NVXWUHKLSA-N 2 0 366.506 0.060 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000566905145 491474233 /nfs/dbraw/zinc/47/42/33/491474233.db2.gz UXPUZVYAHQXGBM-UHFFFAOYSA-N 2 0 350.438 0.490 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000559454427 491474862 /nfs/dbraw/zinc/47/48/62/491474862.db2.gz UNLRCFMQPNVIRM-QGZVFWFLSA-N 2 0 362.474 0.153 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)C1 ZINC000574150754 491477386 /nfs/dbraw/zinc/47/73/86/491477386.db2.gz GAPROAOESGNZDY-MOPGFXCFSA-N 2 0 371.485 0.731 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000574167816 491478569 /nfs/dbraw/zinc/47/85/69/491478569.db2.gz UWMNPFUAAKREGN-ZJPYXAASSA-N 2 0 351.539 0.947 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567062556 491483692 /nfs/dbraw/zinc/48/36/92/491483692.db2.gz ANNWHVVVOIUAOY-QZTJIDSGSA-N 2 0 373.501 0.980 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000574308189 491487965 /nfs/dbraw/zinc/48/79/65/491487965.db2.gz QPJSVKDGVDQJMR-QGZVFWFLSA-N 2 0 367.538 0.058 20 0 FCADRP CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCCC1 ZINC000567250581 491494845 /nfs/dbraw/zinc/49/48/45/491494845.db2.gz PKGMCOFXFBMHMS-ZACQAIPSSA-N 2 0 365.522 0.840 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463589 491498710 /nfs/dbraw/zinc/49/87/10/491498710.db2.gz ZHSXNNQNKDHFIF-IRXDYDNUSA-N 2 0 352.523 0.949 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000567368990 491502751 /nfs/dbraw/zinc/50/27/51/491502751.db2.gz NSUWCMXVHCPQQS-FZKCQIBNSA-N 2 0 365.522 0.696 20 0 FCADRP CC(C)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000574545914 491504064 /nfs/dbraw/zinc/50/40/64/491504064.db2.gz IDKPZWICEPKYKV-INIZCTEOSA-N 2 0 353.511 0.474 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000574589171 491507235 /nfs/dbraw/zinc/50/72/35/491507235.db2.gz IONKEFBBCDPOKS-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000567498385 491510077 /nfs/dbraw/zinc/51/00/77/491510077.db2.gz UGHRHJARISUXJQ-GOSISDBHSA-N 2 0 373.501 0.944 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCC(C)CC1 ZINC000560027499 491516618 /nfs/dbraw/zinc/51/66/18/491516618.db2.gz HLSVQNJPDSFNIF-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741439 491517079 /nfs/dbraw/zinc/51/70/79/491517079.db2.gz HBWJVTXNALWGAI-IRXDYDNUSA-N 2 0 353.511 0.032 20 0 FCADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000567639068 491520092 /nfs/dbraw/zinc/52/00/92/491520092.db2.gz PXTXBMDSPYQPBR-LJQANCHMSA-N 2 0 360.502 0.644 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574808873 491521466 /nfs/dbraw/zinc/52/14/66/491521466.db2.gz ICBIZVMLDKRAHW-MOPGFXCFSA-N 2 0 357.502 0.800 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574808875 491521510 /nfs/dbraw/zinc/52/15/10/491521510.db2.gz ICBIZVMLDKRAHW-OALUTQOASA-N 2 0 357.502 0.800 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CCCO1 ZINC000683373595 493347981 /nfs/dbraw/zinc/34/79/81/493347981.db2.gz FPGFZRSRIDSXJG-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000567763493 491527668 /nfs/dbraw/zinc/52/76/68/491527668.db2.gz BOXAXRXIXULQFT-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000567811573 491531502 /nfs/dbraw/zinc/53/15/02/491531502.db2.gz WHBUVDRZWMUJLN-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cnc(N3CCCC3)nc2)C1)N1CC[NH2+]CC1 ZINC000574988508 491532216 /nfs/dbraw/zinc/53/22/16/491532216.db2.gz ASCLVEQWDHDZTH-KRWDZBQOSA-N 2 0 358.490 0.721 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000660404769 493348800 /nfs/dbraw/zinc/34/88/00/493348800.db2.gz OJZNHMATYQBXRZ-SFHVURJKSA-N 2 0 367.538 0.520 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575025810 491534395 /nfs/dbraw/zinc/53/43/95/491534395.db2.gz XHHXPSUOOGHSAB-INIZCTEOSA-N 2 0 353.511 0.224 20 0 FCADRP C[NH+]1CCN(c2cc(C[NH2+]C3CCC4(CC3)NC(=O)NC4=O)ccn2)CC1 ZINC000567878130 491537214 /nfs/dbraw/zinc/53/72/14/491537214.db2.gz BNHOKIUKMJWIBL-UHFFFAOYSA-N 2 0 372.473 0.444 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000575073640 491537767 /nfs/dbraw/zinc/53/77/67/491537767.db2.gz OKFLBMANEABOJS-INIZCTEOSA-N 2 0 351.495 0.372 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000567889303 491538460 /nfs/dbraw/zinc/53/84/60/491538460.db2.gz JRLLROVKWIVXAV-QGZVFWFLSA-N 2 0 374.485 0.488 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000560670139 491552080 /nfs/dbraw/zinc/55/20/80/491552080.db2.gz OMKTXZWWUMFEJX-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000560728667 491553758 /nfs/dbraw/zinc/55/37/58/491553758.db2.gz RQWPKTHXQSEGDF-UHFFFAOYSA-N 2 0 368.522 0.140 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000568249424 491562093 /nfs/dbraw/zinc/56/20/93/491562093.db2.gz QDEQYGOYJZOFPK-CVEARBPZSA-N 2 0 367.519 0.393 20 0 FCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000568287737 491566950 /nfs/dbraw/zinc/56/69/50/491566950.db2.gz IABVNEVCSSTKSI-YESZJQIVSA-N 2 0 359.474 0.763 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288174 491566984 /nfs/dbraw/zinc/56/69/84/491566984.db2.gz WDONRKPTRPVHHZ-LAVFITLUSA-N 2 0 371.485 0.603 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561207729 491583235 /nfs/dbraw/zinc/58/32/35/491583235.db2.gz MGECEOSXNIJXAY-HRCADAONSA-N 2 0 351.495 0.357 20 0 FCADRP CN(CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000577062655 491585659 /nfs/dbraw/zinc/58/56/59/491585659.db2.gz VBPQHHDLNXJANL-AWEZNQCLSA-N 2 0 355.280 0.813 20 0 FCADRP O=C(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000577071256 491587519 /nfs/dbraw/zinc/58/75/19/491587519.db2.gz IBBULMCXPAUAKL-ROUUACIJSA-N 2 0 362.518 0.875 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000577130389 491593883 /nfs/dbraw/zinc/59/38/83/491593883.db2.gz WYBXZXCSMABINH-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000576233926 491595835 /nfs/dbraw/zinc/59/58/35/491595835.db2.gz OBVVVKIIPYKGFA-PVAVHDDUSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000577164139 491596954 /nfs/dbraw/zinc/59/69/54/491596954.db2.gz NTRPAVJRBDNFCI-WBVHZDCISA-N 2 0 350.507 0.683 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000561321604 491597276 /nfs/dbraw/zinc/59/72/76/491597276.db2.gz KEVDWWYAQSJFSL-HNNXBMFYSA-N 2 0 356.511 0.448 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C[C@@H](C)O1 ZINC000576330390 491605040 /nfs/dbraw/zinc/60/50/40/491605040.db2.gz MZGIZAUERARXOX-JFIYKMOQSA-N 2 0 367.538 0.421 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000561438042 491608404 /nfs/dbraw/zinc/60/84/04/491608404.db2.gz NSSOKIQLWZWMBQ-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000561439369 491608699 /nfs/dbraw/zinc/60/86/99/491608699.db2.gz QDXBARZXMADITA-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000568802306 491610859 /nfs/dbraw/zinc/61/08/59/491610859.db2.gz LODBNMMAIKMHIM-LSDHHAIUSA-N 2 0 350.507 0.942 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000568857697 491614126 /nfs/dbraw/zinc/61/41/26/491614126.db2.gz MBNPZZQRODGNHU-QKLQHJQFSA-N 2 0 368.566 0.605 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000568863408 491615284 /nfs/dbraw/zinc/61/52/84/491615284.db2.gz MKMVKXYKHXAUKK-NHAYFPRASA-N 2 0 364.534 0.757 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000568863409 491615360 /nfs/dbraw/zinc/61/53/60/491615360.db2.gz MKMVKXYKHXAUKK-PDOICOKGSA-N 2 0 364.534 0.757 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000568869593 491615479 /nfs/dbraw/zinc/61/54/79/491615479.db2.gz XEQIEHSHUXNGDU-NRFANRHFSA-N 2 0 370.497 0.933 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000561674746 491624290 /nfs/dbraw/zinc/62/42/90/491624290.db2.gz GFNOLQPMJIVIOP-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553956 491624751 /nfs/dbraw/zinc/62/47/51/491624751.db2.gz LMIJOBSPNWPNKR-QUCCMNQESA-N 2 0 361.486 0.586 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000576563686 491624923 /nfs/dbraw/zinc/62/49/23/491624923.db2.gz WQSDTONPXICSRR-UHFFFAOYSA-N 3 0 369.554 0.129 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553957 491625189 /nfs/dbraw/zinc/62/51/89/491625189.db2.gz LMIJOBSPNWPNKR-UYAOXDASSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745877 491628507 /nfs/dbraw/zinc/62/85/07/491628507.db2.gz CEECOHCXTXZGHS-YLFCFFPRSA-N 2 0 350.507 0.585 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554957 491631893 /nfs/dbraw/zinc/63/18/93/491631893.db2.gz NSMQUCCHWVKXKV-HZPDHXFCSA-N 2 0 366.506 0.370 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000577574816 491633161 /nfs/dbraw/zinc/63/31/61/491633161.db2.gz BUTPQWYMHHKJOW-INIZCTEOSA-N 2 0 356.511 0.849 20 0 FCADRP CCc1nncn1CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000576707167 491638140 /nfs/dbraw/zinc/63/81/40/491638140.db2.gz KYZKFPHFYHKBNB-KRWDZBQOSA-N 2 0 367.457 0.772 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000577672586 491641767 /nfs/dbraw/zinc/64/17/67/491641767.db2.gz XQKPTHMNPIOANN-IRXDYDNUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000561997897 491644864 /nfs/dbraw/zinc/64/48/64/491644864.db2.gz XROVUMXUPSVTTI-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000577725344 491646080 /nfs/dbraw/zinc/64/60/80/491646080.db2.gz NDOXYQXJMDIWLR-YVSFHVDLSA-N 2 0 366.506 0.345 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000577748516 491648676 /nfs/dbraw/zinc/64/86/76/491648676.db2.gz CIUNRHJECCQXPI-OAHLLOKOSA-N 2 0 350.467 0.025 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@@H]2CC[C@H](C)C2)C1 ZINC000562038156 491650198 /nfs/dbraw/zinc/65/01/98/491650198.db2.gz LLDABTCZUGDYGA-RCCFBDPRSA-N 2 0 355.523 0.942 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000576855611 491651305 /nfs/dbraw/zinc/65/13/05/491651305.db2.gz ITDGAASJDCZVIZ-MRXNPFEDSA-N 2 0 365.478 0.542 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)n1 ZINC000562138193 491654296 /nfs/dbraw/zinc/65/42/96/491654296.db2.gz HVPQWDQZEZXBLH-UHFFFAOYSA-N 2 0 358.446 1.084 20 0 FCADRP CN1C[C@H]([NH+](C)CCOCC[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886626 491654571 /nfs/dbraw/zinc/65/45/71/491654571.db2.gz ZLSHKHGDALONDQ-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCCO1 ZINC000577840061 491655781 /nfs/dbraw/zinc/65/57/81/491655781.db2.gz FPJAZOGTZQVWOY-QGZVFWFLSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000576992297 491663644 /nfs/dbraw/zinc/66/36/44/491663644.db2.gz ZKLDOGFQZPGPNS-HNNXBMFYSA-N 2 0 350.463 0.607 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000577955750 491665598 /nfs/dbraw/zinc/66/55/98/491665598.db2.gz GREGELHLQLWFTJ-WMZOPIPTSA-N 3 0 352.523 0.805 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000577955748 491665666 /nfs/dbraw/zinc/66/56/66/491665666.db2.gz GREGELHLQLWFTJ-FUHWJXTLSA-N 3 0 352.523 0.805 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000578121631 491670228 /nfs/dbraw/zinc/67/02/28/491670228.db2.gz ZMDBUEPUCVBIEJ-SFHVURJKSA-N 2 0 363.481 0.993 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251755 491673334 /nfs/dbraw/zinc/67/33/34/491673334.db2.gz ODUYYNJZTRMZRL-HZPDHXFCSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000578348543 491675301 /nfs/dbraw/zinc/67/53/01/491675301.db2.gz PCHZALJSBVMDAP-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000578348544 491675342 /nfs/dbraw/zinc/67/53/42/491675342.db2.gz PCHZALJSBVMDAP-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000578354035 491675480 /nfs/dbraw/zinc/67/54/80/491675480.db2.gz HGVAMTGKWKQUGH-SZMVWBNQSA-N 2 0 374.485 0.260 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000578489145 491678164 /nfs/dbraw/zinc/67/81/64/491678164.db2.gz HLGFCVOQVKOGTD-KRWDZBQOSA-N 2 0 374.466 0.749 20 0 FCADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000578745401 491683307 /nfs/dbraw/zinc/68/33/07/491683307.db2.gz RZPZTIYCQWZCKE-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763316 491683844 /nfs/dbraw/zinc/68/38/44/491683844.db2.gz TWZGQTXFVIAVRS-ZWKOTPCHSA-N 2 0 361.486 0.911 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000578905134 491686872 /nfs/dbraw/zinc/68/68/72/491686872.db2.gz RSVCAYZIFAAELC-GDBMZVCRSA-N 2 0 355.527 0.815 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000578985426 491688389 /nfs/dbraw/zinc/68/83/89/491688389.db2.gz SQGPRLOUOPZGTO-QLFBSQMISA-N 2 0 350.467 0.259 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000579097570 491690840 /nfs/dbraw/zinc/69/08/40/491690840.db2.gz OWNHBZHLBDESRE-MRXNPFEDSA-N 2 0 351.495 0.513 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000579392502 491697181 /nfs/dbraw/zinc/69/71/81/491697181.db2.gz CSLMTZQDJMBMTO-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H](NC(=O)COC1CCC([NH3+])CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000579589878 491701037 /nfs/dbraw/zinc/70/10/37/491701037.db2.gz VBKKXAUGKQBSGU-QQFBHYJXSA-N 2 0 354.495 0.380 20 0 FCADRP [NH3+]CCC1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000579602492 491701501 /nfs/dbraw/zinc/70/15/01/491701501.db2.gz GGQQSJLMSCRMFW-CYBMUJFWSA-N 2 0 351.417 0.593 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579822496 491706042 /nfs/dbraw/zinc/70/60/42/491706042.db2.gz WHEFFQVPKIIPLP-KURKYZTESA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000584579641 491708261 /nfs/dbraw/zinc/70/82/61/491708261.db2.gz WBCFUQCAIJQEHD-SFHVURJKSA-N 2 0 373.501 0.554 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580053989 491715056 /nfs/dbraw/zinc/71/50/56/491715056.db2.gz SUDNXAPAMMZIMF-RYRKJORJSA-N 2 0 362.518 0.968 20 0 FCADRP CCOC(=O)c1ccc(N2CCCN(C[C@@](C)(O)C[NH2+]C)CC2)nc1 ZINC000580200861 491721250 /nfs/dbraw/zinc/72/12/50/491721250.db2.gz NFIGFLGPGHASGT-SFHVURJKSA-N 2 0 350.463 0.741 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580294070 491724491 /nfs/dbraw/zinc/72/44/91/491724491.db2.gz QXNLZKFAVCAKRH-LUKYLMHMSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301674 491724814 /nfs/dbraw/zinc/72/48/14/491724814.db2.gz HBLRNPNANDPXDN-JKSUJKDBSA-N 2 0 366.506 0.012 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000580311449 491725467 /nfs/dbraw/zinc/72/54/67/491725467.db2.gz KQVLWJJYGCHNLA-HOCLYGCPSA-N 2 0 350.507 0.633 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000580311450 491725492 /nfs/dbraw/zinc/72/54/92/491725492.db2.gz KQVLWJJYGCHNLA-ZBFHGGJFSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)COC3CCOCC3)ccn2)CC1 ZINC000580422402 491730547 /nfs/dbraw/zinc/73/05/47/491730547.db2.gz DWCYEMDGBMOCMY-QGZVFWFLSA-N 2 0 364.490 0.480 20 0 FCADRP CO[C@H]1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000580565146 491736508 /nfs/dbraw/zinc/73/65/08/491736508.db2.gz WLQRZZOHDJKLGP-HOCLYGCPSA-N 2 0 371.503 0.754 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000580704798 491742139 /nfs/dbraw/zinc/74/21/39/491742139.db2.gz LRPWMONXUGXIPX-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000580765388 491744865 /nfs/dbraw/zinc/74/48/65/491744865.db2.gz IWZGBOBPAQHTOG-JKSUJKDBSA-N 2 0 368.522 0.545 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000580812556 491746751 /nfs/dbraw/zinc/74/67/51/491746751.db2.gz CKOXGLYRPDSURF-UHFFFAOYSA-N 2 0 368.570 0.339 20 0 FCADRP COC(=O)C(C)(C)CS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000588898887 491751334 /nfs/dbraw/zinc/75/13/34/491751334.db2.gz LWDPRMJDUVEZGO-UHFFFAOYSA-N 2 0 363.524 0.473 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000581181502 491762566 /nfs/dbraw/zinc/76/25/66/491762566.db2.gz JELXZNHNTJZCNO-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000581248789 491765712 /nfs/dbraw/zinc/76/57/12/491765712.db2.gz ONZOJDQOKXDZFF-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581777609 491785969 /nfs/dbraw/zinc/78/59/69/491785969.db2.gz BTZGBINDOIHUBF-HZPDHXFCSA-N 2 0 367.538 0.105 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)C2)nn1 ZINC000581883472 491788924 /nfs/dbraw/zinc/78/89/24/491788924.db2.gz IPWRIHHVIBJAJO-GOSISDBHSA-N 2 0 354.458 0.902 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585251 493364245 /nfs/dbraw/zinc/36/42/45/493364245.db2.gz PHEFXHWJJNDHDP-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)S(C)(=O)=O ZINC000582122846 491799156 /nfs/dbraw/zinc/79/91/56/491799156.db2.gz GVTQKLFVFAVPKU-JYJNAYRXSA-N 2 0 374.551 0.222 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000591354631 491803772 /nfs/dbraw/zinc/80/37/72/491803772.db2.gz HKZRAMHVPWFODG-KRWDZBQOSA-N 2 0 358.442 0.967 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000591411742 491805061 /nfs/dbraw/zinc/80/50/61/491805061.db2.gz INJWTPCSXLAGTE-OAGGEKHMSA-N 2 0 351.495 0.500 20 0 FCADRP Cn1c2ncn(CCN3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291789 491805948 /nfs/dbraw/zinc/80/59/48/491805948.db2.gz VMRYVWYORHWMCH-KGLIPLIRSA-N 2 0 360.462 0.040 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000582414630 491811389 /nfs/dbraw/zinc/81/13/89/491811389.db2.gz QRRXXLZTFOWGDN-MOPGFXCFSA-N 2 0 370.497 0.789 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000582434709 491812410 /nfs/dbraw/zinc/81/24/10/491812410.db2.gz HSUXFYHEJKINGR-IIYDPXPESA-N 2 0 354.520 0.281 20 0 FCADRP CCOC1CC2(C1)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000582831567 491828273 /nfs/dbraw/zinc/82/82/73/491828273.db2.gz ZXUQPRDQNCWTRZ-UHFFFAOYSA-N 2 0 368.522 0.356 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000583260704 491841007 /nfs/dbraw/zinc/84/10/07/491841007.db2.gz ZGGFVLFRAQTYAT-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000583555161 491847411 /nfs/dbraw/zinc/84/74/11/491847411.db2.gz GKSAIMJQXRCMJN-XGUBFFRZSA-N 2 0 352.479 0.301 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]21 ZINC000583565343 491847651 /nfs/dbraw/zinc/84/76/51/491847651.db2.gz AGJWTMBUWWCSBP-HRCADAONSA-N 2 0 360.458 0.623 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000583691680 491850177 /nfs/dbraw/zinc/85/01/77/491850177.db2.gz GRSGRXNFCZUSHD-DLBZAZTESA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(CC(F)F)C(=O)[C@H]1CCC[NH+]1C ZINC000584003927 491856306 /nfs/dbraw/zinc/85/63/06/491856306.db2.gz ULZFZQHYPSPXEJ-BFHYXJOUSA-N 2 0 360.449 0.773 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881724 491870739 /nfs/dbraw/zinc/87/07/39/491870739.db2.gz GWKYYCKEALDNJF-YESZJQIVSA-N 2 0 357.458 0.064 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000595261736 491908511 /nfs/dbraw/zinc/90/85/11/491908511.db2.gz AUXBYZDOYNIEAL-ZBFHGGJFSA-N 2 0 363.437 0.341 20 0 FCADRP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337829 491921774 /nfs/dbraw/zinc/92/17/74/491921774.db2.gz LRIKQQNHIHKNFT-DLBZAZTESA-N 2 0 366.506 0.251 20 0 FCADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000602019500 491957598 /nfs/dbraw/zinc/95/75/98/491957598.db2.gz FJIONCCOTVZVKG-CTQRGLTFSA-N 2 0 361.442 0.898 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916029 491958675 /nfs/dbraw/zinc/95/86/75/491958675.db2.gz UXJDOBCNPZDJEW-GJZGRUSLSA-N 2 0 361.494 0.460 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)NCC[NH+]1CCCCCC1 ZINC000612982423 491960755 /nfs/dbraw/zinc/96/07/55/491960755.db2.gz JENMOSNNMGKEEA-OAHLLOKOSA-N 2 0 351.495 0.420 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000612992465 491961621 /nfs/dbraw/zinc/96/16/21/491961621.db2.gz GEHFDUCDROXYPN-ARFHVFGLSA-N 2 0 363.506 0.418 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000613422714 491981045 /nfs/dbraw/zinc/98/10/45/491981045.db2.gz JEGVIHOYJMBJDK-GOSISDBHSA-N 2 0 352.523 0.774 20 0 FCADRP O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000613552792 491985986 /nfs/dbraw/zinc/98/59/86/491985986.db2.gz OSBCFQXVKRYKDB-IRXDYDNUSA-N 2 0 350.507 0.289 20 0 FCADRP O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000613552791 491986035 /nfs/dbraw/zinc/98/60/35/491986035.db2.gz OSBCFQXVKRYKDB-IAGOWNOFSA-N 2 0 350.507 0.289 20 0 FCADRP COC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CCCC[NH2+]1 ZINC000602483437 491989140 /nfs/dbraw/zinc/98/91/40/491989140.db2.gz QUMIESMMSNEUOA-IEBWSBKVSA-N 2 0 352.523 0.772 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506296 491990410 /nfs/dbraw/zinc/99/04/10/491990410.db2.gz NDSSUZXSMODVMA-UXHICEINSA-N 2 0 373.545 0.684 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1CC[NH2+]CC1 ZINC000602504559 491990488 /nfs/dbraw/zinc/99/04/88/491990488.db2.gz GVPHNXZFOZPGQP-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000597216215 492022863 /nfs/dbraw/zinc/02/28/63/492022863.db2.gz YCKWBKYTNGSWCA-SJORKVTESA-N 2 0 365.522 0.855 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)C1 ZINC000604389095 492059735 /nfs/dbraw/zinc/05/97/35/492059735.db2.gz NSCRORIZWJJXBS-GOSISDBHSA-N 2 0 373.501 0.826 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)C1 ZINC000604389096 492059758 /nfs/dbraw/zinc/05/97/58/492059758.db2.gz NSCRORIZWJJXBS-SFHVURJKSA-N 2 0 373.501 0.826 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604649519 492065752 /nfs/dbraw/zinc/06/57/52/492065752.db2.gz KEUUUUQXWBIGDT-GOSISDBHSA-N 2 0 367.538 0.424 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604646564 492065953 /nfs/dbraw/zinc/06/59/53/492065953.db2.gz YTGXBEWKMAPBBD-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668151 492067631 /nfs/dbraw/zinc/06/76/31/492067631.db2.gz SWUUBRYRNZOAPT-QZTJIDSGSA-N 2 0 367.538 0.565 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668763 492067816 /nfs/dbraw/zinc/06/78/16/492067816.db2.gz KNTCJIZEHIAMAX-KRWDZBQOSA-N 2 0 353.511 0.130 20 0 FCADRP O=C(COC[C@@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000605124655 492082883 /nfs/dbraw/zinc/08/28/83/492082883.db2.gz FUUJWPMHSRNDAZ-QGZVFWFLSA-N 2 0 362.474 0.763 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112039 492155417 /nfs/dbraw/zinc/15/54/17/492155417.db2.gz LPCINZMTIIEEID-MRXNPFEDSA-N 2 0 353.507 0.962 20 0 FCADRP CC[NH+]1CCN(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000617112937 492155650 /nfs/dbraw/zinc/15/56/50/492155650.db2.gz PJNJRMYDSRIZKE-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608764689 492191931 /nfs/dbraw/zinc/19/19/31/492191931.db2.gz CGVWBOIWULUFCB-OAQYLSRUSA-N 2 0 374.529 0.719 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000609571390 492214372 /nfs/dbraw/zinc/21/43/72/492214372.db2.gz MVNRLBQZUQAMMI-UHFFFAOYSA-N 2 0 363.505 0.649 20 0 FCADRP CCC[NH+]1CC[C@@H](NC(=O)COCC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000619898622 492282234 /nfs/dbraw/zinc/28/22/34/492282234.db2.gz LQAPVJQPAINWKW-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2-n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647486359 492295195 /nfs/dbraw/zinc/29/51/95/492295195.db2.gz GXIUPKAYVLDSSJ-QGZVFWFLSA-N 2 0 354.458 0.911 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785236 492305574 /nfs/dbraw/zinc/30/55/74/492305574.db2.gz ZHUWFWFLMMLVKY-MSOLQXFVSA-N 2 0 369.554 0.813 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000641825406 492310071 /nfs/dbraw/zinc/31/00/71/492310071.db2.gz UMLPGEDINGMPKH-INIZCTEOSA-N 2 0 354.495 0.287 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(C)C ZINC000641824972 492310319 /nfs/dbraw/zinc/31/03/19/492310319.db2.gz OYVLXERVQCKSQZ-NEPJUHHUSA-N 2 0 364.412 0.525 20 0 FCADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000627481705 492316611 /nfs/dbraw/zinc/31/66/11/492316611.db2.gz HHSHQQLOQOSTJZ-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@H+]1C ZINC000641841655 492318463 /nfs/dbraw/zinc/31/84/63/492318463.db2.gz TYVMULOOYVJFGF-KSZLIROESA-N 2 0 367.538 0.517 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[NH+](C)C)cc1 ZINC000642047388 492329310 /nfs/dbraw/zinc/32/93/10/492329310.db2.gz ITVRCWZJYFJIBX-JQHSSLGASA-N 2 0 358.486 0.924 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000642076261 492332375 /nfs/dbraw/zinc/33/23/75/492332375.db2.gz SBGBJAPLMLNJIN-WMLDXEAASA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[NH+]1CCCC1 ZINC000642092866 492332864 /nfs/dbraw/zinc/33/28/64/492332864.db2.gz REYABRQSTDSUHQ-KRWDZBQOSA-N 2 0 374.485 0.817 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000642102261 492334792 /nfs/dbraw/zinc/33/47/92/492334792.db2.gz XPQLMPGITKJSAP-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194118 492340236 /nfs/dbraw/zinc/34/02/36/492340236.db2.gz XRJJUTZKGQNQNN-LISAXSMJSA-N 2 0 362.518 0.966 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642253932 492345980 /nfs/dbraw/zinc/34/59/80/492345980.db2.gz RGYFVILNFDCELN-QZTJIDSGSA-N 2 0 374.485 0.119 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642253915 492345992 /nfs/dbraw/zinc/34/59/92/492345992.db2.gz QISVQODXIIXFPQ-QZTJIDSGSA-N 2 0 374.485 0.201 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000642262600 492347155 /nfs/dbraw/zinc/34/71/55/492347155.db2.gz KABAKNQXPFIGGC-YQQAZPJKSA-N 2 0 362.474 0.198 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382777 492356202 /nfs/dbraw/zinc/35/62/02/492356202.db2.gz RJXBFLRYUNJJAZ-XJKSGUPXSA-N 2 0 350.463 0.658 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642495871 492360283 /nfs/dbraw/zinc/36/02/83/492360283.db2.gz ZCHUBKAVBNGFDG-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000642540611 492362606 /nfs/dbraw/zinc/36/26/06/492362606.db2.gz KGLQXQKCYBMMEV-CQSZACIVSA-N 2 0 362.474 0.487 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cn1 ZINC000647789809 492363011 /nfs/dbraw/zinc/36/30/11/492363011.db2.gz LVJUBRHPPYGBKU-IIAWOOMASA-N 2 0 367.519 0.551 20 0 FCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1nnn([C@H]3CC[NH2+]C3)c1C(F)F)C2 ZINC000634741861 492364598 /nfs/dbraw/zinc/36/45/98/492364598.db2.gz RIVZTVMBFIERRL-CIISACIHSA-N 2 0 354.405 0.822 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000647831152 492368679 /nfs/dbraw/zinc/36/86/79/492368679.db2.gz HFNZMRRPFPNIJI-KLHDSHLOSA-N 2 0 354.495 0.105 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000642685666 492372344 /nfs/dbraw/zinc/37/23/44/492372344.db2.gz YFGSYDFQZCCCQL-INIZCTEOSA-N 2 0 362.474 0.502 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000654902657 492373232 /nfs/dbraw/zinc/37/32/32/492373232.db2.gz ZDFMIDJOAUYUJQ-UHFFFAOYSA-N 2 0 364.494 0.716 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccc(F)cc1 ZINC000642731734 492381557 /nfs/dbraw/zinc/38/15/57/492381557.db2.gz XIECXXCMOBFYTB-XOKHGSTOSA-N 2 0 362.449 0.755 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000642732998 492382834 /nfs/dbraw/zinc/38/28/34/492382834.db2.gz PHPGPFKHQOBVNA-QZTJIDSGSA-N 2 0 374.485 0.516 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1C[NH+](C2CCCCC2)C1 ZINC000654980191 492388251 /nfs/dbraw/zinc/38/82/51/492388251.db2.gz AHPACNLAKKGZKD-GOSISDBHSA-N 2 0 364.534 0.774 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975858 492388758 /nfs/dbraw/zinc/38/87/58/492388758.db2.gz GXWNFOMBLPUSIA-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976677 492390406 /nfs/dbraw/zinc/39/04/06/492390406.db2.gz RVZAHGCPERDCCS-HYVNUMGLSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647988371 492391477 /nfs/dbraw/zinc/39/14/77/492391477.db2.gz AEDFEDWEGQCDLL-UHFFFAOYSA-N 2 0 350.463 0.059 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642787238 492391516 /nfs/dbraw/zinc/39/15/16/492391516.db2.gz YNOJHJYCPJBMAW-WMZOPIPTSA-N 2 0 371.485 0.625 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000642785806 492391812 /nfs/dbraw/zinc/39/18/12/492391812.db2.gz LZLCTXSKOAVNPG-KURKYZTESA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000642787858 492391996 /nfs/dbraw/zinc/39/19/96/492391996.db2.gz IFCRNEMQGUGFKB-RHSMWYFYSA-N 2 0 366.506 0.474 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000642787857 492391999 /nfs/dbraw/zinc/39/19/99/492391999.db2.gz IFCRNEMQGUGFKB-PBHICJAKSA-N 2 0 366.506 0.474 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H](C)[NH2+]1 ZINC000642793260 492393362 /nfs/dbraw/zinc/39/33/62/492393362.db2.gz BBZZGMCVJRRBPQ-GJZGRUSLSA-N 2 0 368.547 0.673 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000642800057 492395866 /nfs/dbraw/zinc/39/58/66/492395866.db2.gz IPTFGZZXLSNWLD-ZWKOTPCHSA-N 2 0 358.486 0.617 20 0 FCADRP CN(C)c1cncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000635123494 492396394 /nfs/dbraw/zinc/39/63/94/492396394.db2.gz UGWOBCQRYCDUCU-UHFFFAOYSA-N 2 0 350.467 0.038 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000642808937 492396591 /nfs/dbraw/zinc/39/65/91/492396591.db2.gz KKLXLNSGXNBRHR-WBVHZDCISA-N 2 0 364.465 0.960 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000642808975 492396813 /nfs/dbraw/zinc/39/68/13/492396813.db2.gz WKHKAQFBILVKQH-INIZCTEOSA-N 2 0 350.438 0.632 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000642898815 492398333 /nfs/dbraw/zinc/39/83/33/492398333.db2.gz PTZXYELMYYMLLB-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000642902138 492399357 /nfs/dbraw/zinc/39/93/57/492399357.db2.gz LCFKLKGPOQSBTC-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000642910248 492402110 /nfs/dbraw/zinc/40/21/10/492402110.db2.gz BROIFVOSVZIQMQ-USXIJHARSA-N 2 0 367.538 0.245 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000642921661 492404513 /nfs/dbraw/zinc/40/45/13/492404513.db2.gz FWWCFUZLVXDXIR-QGZVFWFLSA-N 2 0 353.426 0.546 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924109 492404832 /nfs/dbraw/zinc/40/48/32/492404832.db2.gz LDKMSKBTQVCAPF-SJLPKXTDSA-N 2 0 356.470 0.588 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000642960163 492407514 /nfs/dbraw/zinc/40/75/14/492407514.db2.gz DRRXQBZBXMFAKX-GOSISDBHSA-N 2 0 358.486 0.883 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000643013071 492414594 /nfs/dbraw/zinc/41/45/94/492414594.db2.gz SIXZOSJIIBRQRI-GRBKSZCHSA-N 2 0 374.529 0.809 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621838590 492421629 /nfs/dbraw/zinc/42/16/29/492421629.db2.gz GGSYZFBOOLFZQD-ZHEXZJMTSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621841383 492422970 /nfs/dbraw/zinc/42/29/70/492422970.db2.gz UYZISIRUPUGUCQ-JXFKEZNVSA-N 2 0 374.485 0.583 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621840364 492423167 /nfs/dbraw/zinc/42/31/67/492423167.db2.gz HSGXAZJLCSWICN-JXFKEZNVSA-N 2 0 374.485 0.583 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000621841529 492424013 /nfs/dbraw/zinc/42/40/13/492424013.db2.gz WKARSFILXKIQRV-FOIQADDNSA-N 2 0 371.485 0.502 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844079 492424619 /nfs/dbraw/zinc/42/46/19/492424619.db2.gz OUVWDIRPEOEBMC-VQIMIIECSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843273 492424647 /nfs/dbraw/zinc/42/46/47/492424647.db2.gz BRVRCPBGAXHRLV-UWJYYQICSA-N 2 0 370.497 0.542 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)o1 ZINC000622026228 492442580 /nfs/dbraw/zinc/44/25/80/492442580.db2.gz HDBFEPSVICHBLK-BEFAXECRSA-N 2 0 362.474 0.818 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028519 492443741 /nfs/dbraw/zinc/44/37/41/492443741.db2.gz RHKKFJUWRCPXHN-ZRGWGRIASA-N 2 0 364.490 0.038 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3conc3C(C)(C)[NH3+])cn2)CC1 ZINC000655449421 492443848 /nfs/dbraw/zinc/44/38/48/492443848.db2.gz GDOIEMNTCOKBSX-UHFFFAOYSA-N 2 0 358.446 0.945 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622029811 492444419 /nfs/dbraw/zinc/44/44/19/492444419.db2.gz LSMQMWQJNQVVOF-GPMSIDNRSA-N 2 0 366.506 0.286 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000655467199 492444782 /nfs/dbraw/zinc/44/47/82/492444782.db2.gz KJFJPPHRDPBMEJ-SOLBZPMBSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030449 492445012 /nfs/dbraw/zinc/44/50/12/492445012.db2.gz WLSOUNYUPQHWIY-QAPCUYQASA-N 2 0 364.515 0.978 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC1 ZINC000635463815 492453027 /nfs/dbraw/zinc/45/30/27/492453027.db2.gz UOLGHILEIAIVAV-OAHLLOKOSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000643419444 492454529 /nfs/dbraw/zinc/45/45/29/492454529.db2.gz IXVSCHULAMRAEH-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635472953 492454629 /nfs/dbraw/zinc/45/46/29/492454629.db2.gz ISPMQKANJIWKRA-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648780273 492455413 /nfs/dbraw/zinc/45/54/13/492455413.db2.gz ZYHUWIHEIACCHI-HHARLNAUSA-N 2 0 352.523 0.924 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556303 492456694 /nfs/dbraw/zinc/45/66/94/492456694.db2.gz HLOYDYJRSHFXAX-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512574 492462854 /nfs/dbraw/zinc/46/28/54/492462854.db2.gz OAHIQUKEALONEW-ZWKOTPCHSA-N 2 0 350.507 0.478 20 0 FCADRP C[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000648862536 492466590 /nfs/dbraw/zinc/46/65/90/492466590.db2.gz QHVLJFIGQVAUCR-CZUORRHYSA-N 2 0 368.503 0.805 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635561611 492472039 /nfs/dbraw/zinc/47/20/39/492472039.db2.gz SQXCKTZYYTUGPR-KRWDZBQOSA-N 2 0 354.539 0.735 20 0 FCADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000643475135 492472173 /nfs/dbraw/zinc/47/21/73/492472173.db2.gz JDGNKRHCFGUWPJ-KWCYVHTRSA-N 2 0 361.533 0.985 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643483680 492477889 /nfs/dbraw/zinc/47/78/89/492477889.db2.gz BHWPOCVDIVWOHU-OTWHNJEPSA-N 2 0 370.497 0.930 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643494346 492481679 /nfs/dbraw/zinc/48/16/79/492481679.db2.gz YPNXYPVFRJBXHI-IAGOWNOFSA-N 2 0 350.507 0.633 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643502452 492483929 /nfs/dbraw/zinc/48/39/29/492483929.db2.gz GXCOAETUBQHTKE-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000643509639 492484649 /nfs/dbraw/zinc/48/46/49/492484649.db2.gz BOENNIBIGPKZRJ-DLBZAZTESA-N 2 0 366.506 0.287 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509683 492484671 /nfs/dbraw/zinc/48/46/71/492484671.db2.gz JMVCAUAHKDXIQF-SJORKVTESA-N 2 0 350.507 0.908 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000643505654 492484723 /nfs/dbraw/zinc/48/47/23/492484723.db2.gz OGRBNRBNVUWYHP-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643511161 492485727 /nfs/dbraw/zinc/48/57/27/492485727.db2.gz GGJIDQKZMATBKV-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000643524143 492490240 /nfs/dbraw/zinc/49/02/40/492490240.db2.gz OJNJZZURNFLPBW-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[NH2+]1 ZINC000643530062 492490995 /nfs/dbraw/zinc/49/09/95/492490995.db2.gz FDHRDPIZBZZQID-DOTOQJQBSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531797 492491450 /nfs/dbraw/zinc/49/14/50/492491450.db2.gz LRCARXOKQHFKJE-CGTJXYLNSA-N 2 0 374.485 0.294 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643544153 492495132 /nfs/dbraw/zinc/49/51/32/492495132.db2.gz RMAZXDWZFGIZIB-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)CC(O)CC(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000649084393 492496815 /nfs/dbraw/zinc/49/68/15/492496815.db2.gz YKDPSCATRBPEDF-HZPDHXFCSA-N 2 0 368.522 0.044 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000643549829 492496896 /nfs/dbraw/zinc/49/68/96/492496896.db2.gz TYUXYZCLUDBRLG-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@H]21 ZINC000643549679 492497023 /nfs/dbraw/zinc/49/70/23/492497023.db2.gz BALZTOZFWYSCRN-SJLPKXTDSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643567605 492500040 /nfs/dbraw/zinc/50/00/40/492500040.db2.gz XOJUIBXNLIDIDM-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000643593364 492502994 /nfs/dbraw/zinc/50/29/94/492502994.db2.gz QYEBMIRXCDDVJN-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP COCc1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)no1 ZINC000623068747 492505476 /nfs/dbraw/zinc/50/54/76/492505476.db2.gz JMQYXIINVIRDGB-UHFFFAOYSA-N 2 0 359.430 0.939 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000649275136 492517420 /nfs/dbraw/zinc/51/74/20/492517420.db2.gz GUZFSRKOASZISN-MJGOQNOKSA-N 2 0 372.469 0.971 20 0 FCADRP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635876868 492519040 /nfs/dbraw/zinc/51/90/40/492519040.db2.gz ISSXLFKPNCSXMD-UHFFFAOYSA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656028443 492521064 /nfs/dbraw/zinc/52/10/64/492521064.db2.gz LFCMMPJSRIRRIM-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@@H+]1CCOC ZINC000649325175 492534085 /nfs/dbraw/zinc/53/40/85/492534085.db2.gz LECXYNOGZWXBRQ-NXHRZFHOSA-N 2 0 363.506 0.601 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000649330216 492535028 /nfs/dbraw/zinc/53/50/28/492535028.db2.gz DUXSPIDDOYKGNC-UHFFFAOYSA-N 2 0 358.486 0.542 20 0 FCADRP CC1CN(C(=O)C2(C[NH+](C)C)CC2)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000636000580 492537558 /nfs/dbraw/zinc/53/75/58/492537558.db2.gz KPLHSCBPNKIQDT-UHFFFAOYSA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)Cc2ccccc2C1 ZINC000649338948 492539015 /nfs/dbraw/zinc/53/90/15/492539015.db2.gz PWISCORQKIGWTR-INIZCTEOSA-N 2 0 354.458 0.642 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363565 492548457 /nfs/dbraw/zinc/54/84/57/492548457.db2.gz GEZDOWYMCOXEEI-BRWVUGGUSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643773759 492554771 /nfs/dbraw/zinc/55/47/71/492554771.db2.gz VSASCHRNCXZIAV-INIZCTEOSA-N 3 0 355.527 0.058 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656150502 492557459 /nfs/dbraw/zinc/55/74/59/492557459.db2.gz VYATUOBEXIBVCH-OWCLPIDISA-N 2 0 351.495 0.765 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000623635304 492576669 /nfs/dbraw/zinc/57/66/69/492576669.db2.gz CCEONANROKZEPQ-QGZVFWFLSA-N 2 0 368.522 0.994 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000656308166 492582507 /nfs/dbraw/zinc/58/25/07/492582507.db2.gz YNGQIGUAEZGKKD-USXIJHARSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000629176628 492584098 /nfs/dbraw/zinc/58/40/98/492584098.db2.gz VZUFRUUDBZFJAL-LJQANCHMSA-N 2 0 361.486 0.687 20 0 FCADRP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728587 492588497 /nfs/dbraw/zinc/58/84/97/492588497.db2.gz RODPAWLAFOOMDI-QZTJIDSGSA-N 2 0 367.538 0.424 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000636458681 492590946 /nfs/dbraw/zinc/59/09/46/492590946.db2.gz MOJVXWKKDFHMCN-GOSISDBHSA-N 2 0 358.486 0.896 20 0 FCADRP COC1CCN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000656862052 492653900 /nfs/dbraw/zinc/65/39/00/492653900.db2.gz XWZVWTLVEVRVKJ-UHFFFAOYSA-N 2 0 364.556 0.547 20 0 FCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000629788526 492672841 /nfs/dbraw/zinc/67/28/41/492672841.db2.gz REFVJWTULMICJI-BGYRXZFFSA-N 2 0 362.518 0.921 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629798969 492677822 /nfs/dbraw/zinc/67/78/22/492677822.db2.gz CNIIKTHQMDUZTO-STQMWFEESA-N 2 0 366.428 0.772 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629802777 492680754 /nfs/dbraw/zinc/68/07/54/492680754.db2.gz PTGXWFZTNUQZAW-YPMHNXCESA-N 2 0 364.412 0.525 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CCCC2)CC1 ZINC000636748761 492681005 /nfs/dbraw/zinc/68/10/05/492681005.db2.gz BRMRNQAFXQLKRM-MRXNPFEDSA-N 2 0 368.522 0.776 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629809279 492683029 /nfs/dbraw/zinc/68/30/29/492683029.db2.gz PBQAURXEOAWDKP-RWMBFGLXSA-N 2 0 364.412 0.525 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000629816470 492687141 /nfs/dbraw/zinc/68/71/41/492687141.db2.gz WMLIYDFQCFILNV-MRXNPFEDSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)[C@@H](C)C1 ZINC000636911740 492727093 /nfs/dbraw/zinc/72/70/93/492727093.db2.gz BUTDXYBPEBPYCH-RLFYNMQTSA-N 2 0 354.495 0.242 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644444324 492756153 /nfs/dbraw/zinc/75/61/53/492756153.db2.gz VZMQCVXVYBXWFR-ZNMIVQPWSA-N 2 0 350.467 0.554 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC000644497334 492773375 /nfs/dbraw/zinc/77/33/75/492773375.db2.gz DMAFSKNANRULLF-ZACQAIPSSA-N 2 0 367.538 0.299 20 0 FCADRP COc1ccccc1[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000644512837 492780583 /nfs/dbraw/zinc/78/05/83/492780583.db2.gz SGWHLGFOVHNTHO-FUHWJXTLSA-N 2 0 350.507 0.496 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000644539376 492783515 /nfs/dbraw/zinc/78/35/15/492783515.db2.gz GKJDCMCWZCUGSZ-GDBMZVCRSA-N 2 0 353.438 0.742 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000644610930 492790902 /nfs/dbraw/zinc/79/09/02/492790902.db2.gz AEFGFURJCAYXJY-JFIYKMOQSA-N 2 0 366.506 0.582 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)CN1CC[NH+](C)CC1 ZINC000631063002 492796588 /nfs/dbraw/zinc/79/65/88/492796588.db2.gz DPJMCMBGCGKQIV-CYBMUJFWSA-N 2 0 374.938 0.961 20 0 FCADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000631247577 492806337 /nfs/dbraw/zinc/80/63/37/492806337.db2.gz YYFDOCHKBQEDHN-SFHVURJKSA-N 3 0 362.522 0.685 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870130 492806480 /nfs/dbraw/zinc/80/64/80/492806480.db2.gz BFHRAUIHJYQDKI-MRXNPFEDSA-N 2 0 359.474 0.719 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000657871032 492806511 /nfs/dbraw/zinc/80/65/11/492806511.db2.gz YNXSQHVULVAOHY-QGZVFWFLSA-N 2 0 355.442 0.203 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@H]21 ZINC000657870157 492806623 /nfs/dbraw/zinc/80/66/23/492806623.db2.gz DXFWTCHAISJBSO-SJLPKXTDSA-N 2 0 371.485 0.673 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873548 492807691 /nfs/dbraw/zinc/80/76/91/492807691.db2.gz KIZAPDSKVMZZBA-IBGZPJMESA-N 2 0 357.458 0.284 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373159 492813488 /nfs/dbraw/zinc/81/34/88/492813488.db2.gz NHHUBFXJHLTQDA-MAUKXSAKSA-N 2 0 351.495 0.454 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376806 492815560 /nfs/dbraw/zinc/81/55/60/492815560.db2.gz PZFPQXKHVFJSIW-INIZCTEOSA-N 2 0 369.510 0.078 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637377041 492815947 /nfs/dbraw/zinc/81/59/47/492815947.db2.gz UCBQSQUOEAIYIO-IRXDYDNUSA-N 2 0 365.522 0.700 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000637377200 492816566 /nfs/dbraw/zinc/81/65/66/492816566.db2.gz WBHMJJMGQFFTTC-HOTGVXAUSA-N 2 0 351.495 0.596 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631645321 492829380 /nfs/dbraw/zinc/82/93/80/492829380.db2.gz NYHXWWSHSWEELK-MRXNPFEDSA-N 2 0 374.551 0.285 20 0 FCADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000631749106 492846385 /nfs/dbraw/zinc/84/63/85/492846385.db2.gz NNGTWCCHYIHNRH-SJORKVTESA-N 2 0 360.568 0.664 20 0 FCADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000631813576 492857891 /nfs/dbraw/zinc/85/78/91/492857891.db2.gz WHZATCYWRDIYHH-QGZVFWFLSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CCC[NH3+] ZINC000631829627 492859052 /nfs/dbraw/zinc/85/90/52/492859052.db2.gz WKDPDCUERCVQOX-GDBMZVCRSA-N 2 0 374.551 0.366 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652130905 492884941 /nfs/dbraw/zinc/88/49/41/492884941.db2.gz FHKZAIAXNVVLOC-ULQDDVLXSA-N 2 0 356.511 0.883 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000631925008 492887255 /nfs/dbraw/zinc/88/72/55/492887255.db2.gz KMBKOAVKIDGRTM-UHFFFAOYSA-N 2 0 374.551 0.492 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC[NH2+]1 ZINC000652218776 492895555 /nfs/dbraw/zinc/89/55/55/492895555.db2.gz AADJSKDMWYOIIU-LISAXSMJSA-N 2 0 354.495 0.683 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000631950147 492895906 /nfs/dbraw/zinc/89/59/06/492895906.db2.gz AJSSGTBBPRRDLK-IAGOWNOFSA-N 2 0 370.494 0.789 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896877 /nfs/dbraw/zinc/89/68/77/492896877.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 0 374.485 0.679 20 0 FCADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000658459410 492902717 /nfs/dbraw/zinc/90/27/17/492902717.db2.gz RVTOTZCLVOAPQV-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CC[NH3+] ZINC000652355151 492914043 /nfs/dbraw/zinc/91/40/43/492914043.db2.gz QEAGJTZFWFBZAV-SJORKVTESA-N 2 0 360.506 0.965 20 0 FCADRP C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CC[NH3+] ZINC000652355148 492914225 /nfs/dbraw/zinc/91/42/25/492914225.db2.gz QEAGJTZFWFBZAV-DLBZAZTESA-N 2 0 360.506 0.965 20 0 FCADRP CC(C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000632032065 492915160 /nfs/dbraw/zinc/91/51/60/492915160.db2.gz SAEFJPSRXBBWIV-QGZVFWFLSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000638137398 492915712 /nfs/dbraw/zinc/91/57/12/492915712.db2.gz JVMONMHDSFLRNI-ZIFCJYIRSA-N 2 0 362.518 0.919 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632047394 492918845 /nfs/dbraw/zinc/91/88/45/492918845.db2.gz JQNYSLYVOBTBSF-KRWDZBQOSA-N 2 0 360.568 0.617 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000652380217 492920142 /nfs/dbraw/zinc/92/01/42/492920142.db2.gz JQCUOWMHEBQWJW-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638218202 492923017 /nfs/dbraw/zinc/92/30/17/492923017.db2.gz DVHPADFZRPIUJK-ZIAGYGMSSA-N 2 0 360.380 0.647 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000638221467 492924096 /nfs/dbraw/zinc/92/40/96/492924096.db2.gz XAKZSHKQDZHOIW-ZDUSSCGKSA-N 2 0 362.400 0.011 20 0 FCADRP [NH3+]Cc1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000638303976 492932758 /nfs/dbraw/zinc/93/27/58/492932758.db2.gz XIUQXGNLYPZFOL-KRWDZBQOSA-N 2 0 355.442 0.956 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632129303 492936279 /nfs/dbraw/zinc/93/62/79/492936279.db2.gz HJRKDDIRWFJMBB-ZACQAIPSSA-N 2 0 359.536 0.986 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000632170654 492943392 /nfs/dbraw/zinc/94/33/92/492943392.db2.gz HNSSQMWFFDHGJU-ZWKOTPCHSA-N 2 0 369.531 0.741 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439460 492947019 /nfs/dbraw/zinc/94/70/19/492947019.db2.gz IDUAOJHSWQMBPF-JKSUJKDBSA-N 2 0 360.506 0.867 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626221473 492948027 /nfs/dbraw/zinc/94/80/27/492948027.db2.gz YTLIFVOFDQCBME-QGZVFWFLSA-N 2 0 361.490 0.935 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000632280315 492963433 /nfs/dbraw/zinc/96/34/33/492963433.db2.gz YPCSNTCOVSDDAV-KRWDZBQOSA-N 2 0 358.552 0.560 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000632281653 492964387 /nfs/dbraw/zinc/96/43/87/492964387.db2.gz DYMDWIKPMRZDDG-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cn1 ZINC000652623462 492972153 /nfs/dbraw/zinc/97/21/53/492972153.db2.gz JBIWFQKZBMJKFW-UHFFFAOYSA-N 2 0 372.473 0.761 20 0 FCADRP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000645781531 492975177 /nfs/dbraw/zinc/97/51/77/492975177.db2.gz VWVRLQIQYRBTPS-QAPCUYQASA-N 2 0 358.486 0.808 20 0 FCADRP [NH3+]CCOCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000645817328 492977742 /nfs/dbraw/zinc/97/77/42/492977742.db2.gz HKPINEVIHJFUHX-KRWDZBQOSA-N 2 0 361.490 0.418 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638857089 492982680 /nfs/dbraw/zinc/98/26/80/492982680.db2.gz YDKMIJJZGPLFSJ-GOSISDBHSA-N 2 0 358.486 0.873 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652670541 492983894 /nfs/dbraw/zinc/98/38/94/492983894.db2.gz VVUJVIJQQAWLCD-MKSNKDDYSA-N 2 0 368.522 0.435 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)C1 ZINC000652677314 492986904 /nfs/dbraw/zinc/98/69/04/492986904.db2.gz XRPQTSHSPZDFDY-AIANPOQGSA-N 2 0 364.490 0.084 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000652679752 492987529 /nfs/dbraw/zinc/98/75/29/492987529.db2.gz MQEHJIHPBCSPIB-ARFHVFGLSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000652679755 492987605 /nfs/dbraw/zinc/98/76/05/492987605.db2.gz MQEHJIHPBCSPIB-XHSDSOJGSA-N 2 0 366.506 0.332 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652680926 492988235 /nfs/dbraw/zinc/98/82/35/492988235.db2.gz VIOPHWIOPUBSFK-ULQDDVLXSA-N 2 0 368.522 0.579 20 0 FCADRP CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987790 492990121 /nfs/dbraw/zinc/99/01/21/492990121.db2.gz JIJKSPUWEYGRBV-AWEZNQCLSA-N 2 0 367.475 0.244 20 0 FCADRP C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CS2 ZINC000638987100 492990239 /nfs/dbraw/zinc/99/02/39/492990239.db2.gz KUQFXDNOGLIGAA-SUMWQHHRSA-N 2 0 361.471 0.884 20 0 FCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009497 493000620 /nfs/dbraw/zinc/00/06/20/493000620.db2.gz NOAQXBIUCOLYGA-QZTJIDSGSA-N 2 0 352.523 0.807 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000652724404 493004432 /nfs/dbraw/zinc/00/44/32/493004432.db2.gz AMBMXXDFNBBOGO-AEFFLSMTSA-N 2 0 362.518 0.968 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652728367 493006571 /nfs/dbraw/zinc/00/65/71/493006571.db2.gz HOZLTBXFKOGGLL-GVDBMIGSSA-N 2 0 366.506 0.286 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652731004 493009528 /nfs/dbraw/zinc/00/95/28/493009528.db2.gz YWIMYFPCWXJXCT-ZMSDIMECSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639458558 493010797 /nfs/dbraw/zinc/01/07/97/493010797.db2.gz ROSOSSHATOBZPO-UHFFFAOYSA-N 2 0 374.551 0.190 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000632544495 493026380 /nfs/dbraw/zinc/02/63/80/493026380.db2.gz HTZJPLXZNSLRLS-MRXNPFEDSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000646214255 493028638 /nfs/dbraw/zinc/02/86/38/493028638.db2.gz PVUSLPAGGKLEKX-VYDXJSESSA-N 2 0 363.506 0.701 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646414142 493046137 /nfs/dbraw/zinc/04/61/37/493046137.db2.gz PSKHBYRWLOQBCS-UHFFFAOYSA-N 2 0 350.467 0.773 20 0 FCADRP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851498 493055769 /nfs/dbraw/zinc/05/57/69/493055769.db2.gz MXDKEKGLHUIJGT-UYAOXDASSA-N 2 0 361.486 0.716 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000626967779 493071231 /nfs/dbraw/zinc/07/12/31/493071231.db2.gz IOGXRXXAOHUCPY-QZTJIDSGSA-N 2 0 361.490 0.263 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000626970674 493072045 /nfs/dbraw/zinc/07/20/45/493072045.db2.gz SRCHJTFXBDFIRT-INIZCTEOSA-N 2 0 350.463 0.457 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626980308 493073734 /nfs/dbraw/zinc/07/37/34/493073734.db2.gz QNTRRZPSQBGULB-IRXDYDNUSA-N 2 0 353.511 0.032 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000653124598 493075152 /nfs/dbraw/zinc/07/51/52/493075152.db2.gz BMHDVXDKSDALQZ-LJQANCHMSA-N 2 0 361.534 0.590 20 0 FCADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658855218 493087001 /nfs/dbraw/zinc/08/70/01/493087001.db2.gz HKWUGAOWMCSIRY-LJQANCHMSA-N 2 0 372.513 0.782 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627099043 493087236 /nfs/dbraw/zinc/08/72/36/493087236.db2.gz DNGKATGJBNCCNG-RYQLBKOJSA-N 2 0 364.465 0.885 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627148042 493096201 /nfs/dbraw/zinc/09/62/01/493096201.db2.gz WWMZLPPLEZRZCO-UHFFFAOYSA-N 2 0 354.495 0.781 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000633031409 493107261 /nfs/dbraw/zinc/10/72/61/493107261.db2.gz MEQCTTYYYQJLFK-CALCHBBNSA-N 2 0 371.485 0.730 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC000627230719 493112189 /nfs/dbraw/zinc/11/21/89/493112189.db2.gz LHDGISJJXBQTMP-NVXWUHKLSA-N 2 0 361.494 0.686 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000627233197 493112866 /nfs/dbraw/zinc/11/28/66/493112866.db2.gz OPDVLURFRRRAMZ-LZWOXQAQSA-N 2 0 365.482 0.063 20 0 FCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000627235550 493114730 /nfs/dbraw/zinc/11/47/30/493114730.db2.gz UFUHGODIGVQSRG-HOTGVXAUSA-N 2 0 361.494 0.732 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000627234742 493114802 /nfs/dbraw/zinc/11/48/02/493114802.db2.gz KPTZMVWOXNLGSI-BFYDXBDKSA-N 2 0 361.494 0.734 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633090346 493121415 /nfs/dbraw/zinc/12/14/15/493121415.db2.gz VYGLCQPNIMNVDH-SQNIBIBYSA-N 2 0 356.470 0.540 20 0 FCADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633102711 493125860 /nfs/dbraw/zinc/12/58/60/493125860.db2.gz XGLAZDYULAVGAZ-MHORFTMASA-N 2 0 354.454 0.150 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1)c1ccccc1 ZINC000640836484 493134314 /nfs/dbraw/zinc/13/43/14/493134314.db2.gz GALATCUIMPNOKV-ZIFCJYIRSA-N 2 0 372.473 0.876 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312504 493147010 /nfs/dbraw/zinc/14/70/10/493147010.db2.gz ZXJLPHVXCKVTOD-PVAVHDDUSA-N 2 0 360.458 0.043 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627318784 493150461 /nfs/dbraw/zinc/15/04/61/493150461.db2.gz AGLBDWDIYBLTRP-JQWIXIFHSA-N 2 0 350.385 0.183 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627320257 493151360 /nfs/dbraw/zinc/15/13/60/493151360.db2.gz XBZULDYGVDMNGK-SFHVURJKSA-N 2 0 374.485 0.119 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647058541 493155208 /nfs/dbraw/zinc/15/52/08/493155208.db2.gz PSNWYLTVAVIENI-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000627329039 493156212 /nfs/dbraw/zinc/15/62/12/493156212.db2.gz XVPUCVNHIUKIRB-ZSYWTGECSA-N 2 0 370.497 0.881 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627334534 493159038 /nfs/dbraw/zinc/15/90/38/493159038.db2.gz TXCQWWLGHSFDBO-GOEBONIOSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094155 493162489 /nfs/dbraw/zinc/16/24/89/493162489.db2.gz MCEUIPVERMXUHF-INIZCTEOSA-N 2 0 361.490 0.961 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000627342140 493163156 /nfs/dbraw/zinc/16/31/56/493163156.db2.gz XKFPOQHYCIMTKM-NEPJUHHUSA-N 2 0 364.412 0.573 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344840 493165255 /nfs/dbraw/zinc/16/52/55/493165255.db2.gz SICBKWCBUSIQGR-KRWDZBQOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659442989 493177968 /nfs/dbraw/zinc/17/79/68/493177968.db2.gz UQRJLMDUBOIQHI-GFCCVEGCSA-N 2 0 350.467 0.951 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641214636 493181200 /nfs/dbraw/zinc/18/12/00/493181200.db2.gz GBPGLGPNDSYKBK-LJQANCHMSA-N 2 0 358.490 0.518 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367084 493181448 /nfs/dbraw/zinc/18/14/48/493181448.db2.gz JUUYUKTXYHOAHV-DOTOQJQBSA-N 2 0 362.474 0.057 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367087 493181671 /nfs/dbraw/zinc/18/16/71/493181671.db2.gz JUUYUKTXYHOAHV-WBVHZDCISA-N 2 0 362.474 0.057 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659286765 493183585 /nfs/dbraw/zinc/18/35/85/493183585.db2.gz DQMFTVLNYPMHBV-MRXNPFEDSA-N 2 0 360.462 0.676 20 0 FCADRP CN(CCC[NH3+])Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641228451 493185842 /nfs/dbraw/zinc/18/58/42/493185842.db2.gz AEQGIMRAEBLVFR-IBGZPJMESA-N 2 0 358.490 0.696 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000659318437 493190366 /nfs/dbraw/zinc/19/03/66/493190366.db2.gz CIAAEKAWJNUVMQ-YLAKUSLOSA-N 2 0 362.518 0.609 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659318556 493190506 /nfs/dbraw/zinc/19/05/06/493190506.db2.gz FQAVTPUPAMWNGD-QGZVFWFLSA-N 3 0 367.538 0.025 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481064 493191862 /nfs/dbraw/zinc/19/18/62/493191862.db2.gz FEAPJBMMLWSTJX-BBRMVZONSA-N 2 0 370.457 0.961 20 0 FCADRP Cn1nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc21 ZINC000672548050 493202773 /nfs/dbraw/zinc/20/27/73/493202773.db2.gz KCHRUCJQHSYGOZ-UHFFFAOYSA-N 2 0 374.489 0.141 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000659549853 493211300 /nfs/dbraw/zinc/21/13/00/493211300.db2.gz NUUUTHVUHPBZTN-GOSISDBHSA-N 2 0 361.490 0.971 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000659589830 493217777 /nfs/dbraw/zinc/21/77/77/493217777.db2.gz XOVWODSBWUQPGX-BZSNNMDCSA-N 2 0 362.474 0.900 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000659638039 493226413 /nfs/dbraw/zinc/22/64/13/493226413.db2.gz ICTCRFDHTKASHS-HNNXBMFYSA-N 2 0 353.511 0.618 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659633360 493226437 /nfs/dbraw/zinc/22/64/37/493226437.db2.gz SIWPAPJCBDBENY-UHFFFAOYSA-N 2 0 350.467 0.904 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000666796336 493228268 /nfs/dbraw/zinc/22/82/68/493228268.db2.gz YQWIVNNVFOWHNO-GOSISDBHSA-N 2 0 373.501 0.583 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000672695787 493234355 /nfs/dbraw/zinc/23/43/55/493234355.db2.gz HWZKCADPQCKZQN-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666974372 493242793 /nfs/dbraw/zinc/24/27/93/493242793.db2.gz OKNQNTDNCBMBJE-INIZCTEOSA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666974370 493243362 /nfs/dbraw/zinc/24/33/62/493243362.db2.gz OGYAIJZJGPHXNP-KRWDZBQOSA-N 3 0 355.527 0.375 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666972582 493243455 /nfs/dbraw/zinc/24/34/55/493243455.db2.gz BHXGYGQCQAHVJC-QGZVFWFLSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000659673281 493243949 /nfs/dbraw/zinc/24/39/49/493243949.db2.gz ISLBKWVIPVHGEE-HOCLYGCPSA-N 2 0 362.474 0.672 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659674566 493245485 /nfs/dbraw/zinc/24/54/85/493245485.db2.gz NAYGIYJDEYMWRV-RHSMWYFYSA-N 2 0 362.474 0.672 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000659687753 493253351 /nfs/dbraw/zinc/25/33/51/493253351.db2.gz ZYQHOKLGNOGLPJ-KGLIPLIRSA-N 2 0 352.504 0.800 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000659687755 493253379 /nfs/dbraw/zinc/25/33/79/493253379.db2.gz ZYQHOKLGNOGLPJ-ZIAGYGMSSA-N 2 0 352.504 0.800 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000659688333 493254258 /nfs/dbraw/zinc/25/42/58/493254258.db2.gz XVPUCVNHIUKIRB-CADBVGFASA-N 2 0 370.497 0.881 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000682096288 493269454 /nfs/dbraw/zinc/26/94/54/493269454.db2.gz YXLFBTNLIHUZRB-UHFFFAOYSA-N 2 0 350.463 0.976 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957659 493269992 /nfs/dbraw/zinc/26/99/92/493269992.db2.gz UTIDFMUHXJDFRD-IAGOWNOFSA-N 2 0 368.522 0.462 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCn2cncc2C1 ZINC000641667618 493274026 /nfs/dbraw/zinc/27/40/26/493274026.db2.gz HEAZXCLSNUXETR-IRXDYDNUSA-N 2 0 361.490 0.358 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000659730324 493276939 /nfs/dbraw/zinc/27/69/39/493276939.db2.gz SIUURFMUZSZFLS-UHFFFAOYSA-N 2 0 359.474 0.232 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000659734732 493278619 /nfs/dbraw/zinc/27/86/19/493278619.db2.gz BRKQLNDRFUSVMR-GDBMZVCRSA-N 2 0 352.479 0.086 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)c1 ZINC000659734826 493278768 /nfs/dbraw/zinc/27/87/68/493278768.db2.gz PBZPOJOVYAJBGG-UHFFFAOYSA-N 2 0 361.446 0.127 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000667399660 493282517 /nfs/dbraw/zinc/28/25/17/493282517.db2.gz JZRHHOMFHDKQDZ-QAPCUYQASA-N 2 0 374.485 0.838 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000667402873 493283123 /nfs/dbraw/zinc/28/31/23/493283123.db2.gz OJBXONHUPBRNHV-CJNGLKHVSA-N 2 0 364.446 0.140 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673268643 493309660 /nfs/dbraw/zinc/30/96/60/493309660.db2.gz JLPRWMCSZCNACY-GOSISDBHSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660055081 493319975 /nfs/dbraw/zinc/31/99/75/493319975.db2.gz CEAPBTJQLGOZRM-BRWVUGGUSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660639015 493369103 /nfs/dbraw/zinc/36/91/03/493369103.db2.gz AZFMCMVIZVNYHG-MRXNPFEDSA-N 2 0 368.522 0.092 20 0 FCADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673031 493371554 /nfs/dbraw/zinc/37/15/54/493371554.db2.gz ZINYQHJFFTXLOS-INIZCTEOSA-N 2 0 372.535 0.403 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581694 493378079 /nfs/dbraw/zinc/37/80/79/493378079.db2.gz JNGRDNCYOGVQAZ-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853370 493386893 /nfs/dbraw/zinc/38/68/93/493386893.db2.gz WPQRIXNIWSTPPT-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668633452 493387154 /nfs/dbraw/zinc/38/71/54/493387154.db2.gz MNZPSQOZHNJTJT-INIZCTEOSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860981 493388461 /nfs/dbraw/zinc/38/84/61/493388461.db2.gz ADGKJFVZBAFDQU-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036560 493403891 /nfs/dbraw/zinc/40/38/91/493403891.db2.gz JZXWIHTYISDKMN-FUHWJXTLSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1=CCCC1 ZINC000668750315 493405193 /nfs/dbraw/zinc/40/51/93/493405193.db2.gz DRTDWMIDLABZMW-UHFFFAOYSA-N 2 0 371.485 0.936 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[N@H+](C)C1CC1 ZINC000668796460 493412711 /nfs/dbraw/zinc/41/27/11/493412711.db2.gz VAZCLLINQFQTNS-CQSZACIVSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000669035297 493455747 /nfs/dbraw/zinc/45/57/47/493455747.db2.gz BYFRHXLSPGFRPK-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143837 493467836 /nfs/dbraw/zinc/46/78/36/493467836.db2.gz FGHIDPDWJOZGBX-ZBFHGGJFSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685336639 493477316 /nfs/dbraw/zinc/47/73/16/493477316.db2.gz JRCOZPUFRNDLKC-XIRDDKMYSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1CN(C)CCO1 ZINC000685336638 493477526 /nfs/dbraw/zinc/47/75/26/493477526.db2.gz JRCOZPUFRNDLKC-USXIJHARSA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661974332 493479946 /nfs/dbraw/zinc/47/99/46/493479946.db2.gz WQKMPIHUZSJUHX-ZWKOTPCHSA-N 2 0 368.522 0.896 20 0 FCADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000662265553 493501270 /nfs/dbraw/zinc/50/12/70/493501270.db2.gz RALRFCZDYWCBQE-CABCVRRESA-N 2 0 363.510 0.551 20 0 FCADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000662292046 493503971 /nfs/dbraw/zinc/50/39/71/493503971.db2.gz LGQCMUNGZLOFBZ-GOSISDBHSA-N 2 0 362.518 0.779 20 0 FCADRP C[NH+](C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568536 493504091 /nfs/dbraw/zinc/50/40/91/493504091.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 2 0 368.566 0.293 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2c(=O)n(C)c1=O ZINC000662295636 493504617 /nfs/dbraw/zinc/50/46/17/493504617.db2.gz VZHLNPQJWGZTTE-HNNXBMFYSA-N 2 0 374.489 0.145 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298021 493504952 /nfs/dbraw/zinc/50/49/52/493504952.db2.gz TVUFDKPNVMTXTQ-DJIMGWMZSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491032 493507690 /nfs/dbraw/zinc/50/76/90/493507690.db2.gz IZHFMLWNBKDIAV-HZPDHXFCSA-N 2 0 351.495 0.500 20 0 FCADRP C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000669490715 493507746 /nfs/dbraw/zinc/50/77/46/493507746.db2.gz WIQRRTBMJKPJQI-TZMCWYRMSA-N 2 0 365.444 0.852 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662351826 493509151 /nfs/dbraw/zinc/50/91/51/493509151.db2.gz PAXUOEMSEIBTNC-HUUCEWRRSA-N 2 0 350.467 0.208 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)nnn1[C@H]1CC[NH2+]C1 ZINC000662365148 493509964 /nfs/dbraw/zinc/50/99/64/493509964.db2.gz POEMFHZDZBCTPI-HNNXBMFYSA-N 2 0 370.461 0.520 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401637 493513082 /nfs/dbraw/zinc/51/30/82/493513082.db2.gz PMIWCSJJYCGHHO-AEFFLSMTSA-N 2 0 356.470 0.891 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000675995126 493516694 /nfs/dbraw/zinc/51/66/94/493516694.db2.gz NNUPQKFPAQIOLV-IRXDYDNUSA-N 2 0 363.506 0.419 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nn1 ZINC000662480569 493519405 /nfs/dbraw/zinc/51/94/05/493519405.db2.gz LMKZQXGBBPEWIW-UHFFFAOYSA-N 2 0 358.446 0.124 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662637400 493529457 /nfs/dbraw/zinc/52/94/57/493529457.db2.gz HFWZKDRSLGRRHP-GOSISDBHSA-N 2 0 373.501 0.668 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704661 493533472 /nfs/dbraw/zinc/53/34/72/493533472.db2.gz JOAPTDCTAOVTAH-FZMZJTMJSA-N 2 0 350.385 0.232 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000662757366 493539382 /nfs/dbraw/zinc/53/93/82/493539382.db2.gz LMEVCXUDQQQPDA-KRWDZBQOSA-N 2 0 358.486 0.421 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662759468 493539818 /nfs/dbraw/zinc/53/98/18/493539818.db2.gz XNMJWLJAZRKGGS-OALUTQOASA-N 2 0 360.502 0.987 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662926040 493554481 /nfs/dbraw/zinc/55/44/81/493554481.db2.gz OIFBVPMXQVKUGX-KRWDZBQOSA-N 2 0 361.490 0.702 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662950529 493559827 /nfs/dbraw/zinc/55/98/27/493559827.db2.gz MRBNFLBHGRIRFM-BHIYHBOVSA-N 2 0 372.513 0.958 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662954629 493560387 /nfs/dbraw/zinc/56/03/87/493560387.db2.gz XOCMORIGBBVTOU-OTWHNJEPSA-N 2 0 370.497 0.440 20 0 FCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000663013454 493566111 /nfs/dbraw/zinc/56/61/11/493566111.db2.gz CLUXSHSKJJYEJQ-ZDUSSCGKSA-N 2 0 358.446 0.891 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000670572458 493580282 /nfs/dbraw/zinc/58/02/82/493580282.db2.gz BMHDNKJOUOZJLB-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000670670590 493586598 /nfs/dbraw/zinc/58/65/98/493586598.db2.gz HCDRBCNJCICJIN-DLBZAZTESA-N 2 0 368.522 0.450 20 0 FCADRP Cn1c(=O)cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)c1=O ZINC000663485153 493592174 /nfs/dbraw/zinc/59/21/74/493592174.db2.gz MRSXWMSVLVFJDU-UHFFFAOYSA-N 2 0 358.446 0.103 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000670804570 493598598 /nfs/dbraw/zinc/59/85/98/493598598.db2.gz LMIKUXSDBDGLAG-SJORKVTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000663609062 493603653 /nfs/dbraw/zinc/60/36/53/493603653.db2.gz QARUCWDLKGHFNF-QGZVFWFLSA-N 2 0 352.410 0.573 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663825587 493619319 /nfs/dbraw/zinc/61/93/19/493619319.db2.gz LPOKMLQADAZLHR-KRWDZBQOSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000670984969 493620379 /nfs/dbraw/zinc/62/03/79/493620379.db2.gz BHSIHPQBQQZPJD-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c1F ZINC000663852274 493621277 /nfs/dbraw/zinc/62/12/77/493621277.db2.gz RNCZMOLRBGIMPO-GEEKYZPCSA-N 2 0 360.481 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000671032350 493624768 /nfs/dbraw/zinc/62/47/68/493624768.db2.gz CRORSFQMRRVERQ-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000671071571 493629261 /nfs/dbraw/zinc/62/92/61/493629261.db2.gz PRYLZPYSBGAQKK-WMLDXEAASA-N 2 0 356.536 0.529 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664027286 493631017 /nfs/dbraw/zinc/63/10/17/493631017.db2.gz YPOBYWKFULTHDR-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000671102355 493633615 /nfs/dbraw/zinc/63/36/15/493633615.db2.gz YIFMIPFIHPBZDA-IXDOHACOSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000671108076 493635856 /nfs/dbraw/zinc/63/58/56/493635856.db2.gz MQOMOUOKQCIBIN-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109919 493636272 /nfs/dbraw/zinc/63/62/72/493636272.db2.gz ZFFDTBJJHVVWJF-NVXWUHKLSA-N 2 0 357.458 0.473 20 0 FCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109918 493636589 /nfs/dbraw/zinc/63/65/89/493636589.db2.gz ZFFDTBJJHVVWJF-DOTOQJQBSA-N 2 0 357.458 0.473 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664177285 493641979 /nfs/dbraw/zinc/64/19/79/493641979.db2.gz CJAQACHLQYISPZ-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000671375774 493661827 /nfs/dbraw/zinc/66/18/27/493661827.db2.gz OKWBWWGZLNUPLG-CQSZACIVSA-N 2 0 354.495 0.060 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000671815791 493706735 /nfs/dbraw/zinc/70/67/35/493706735.db2.gz FUITYWSEJRQACI-IIDMSEBBSA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671881813 493710625 /nfs/dbraw/zinc/71/06/25/493710625.db2.gz UCNJHJGCVYXZQK-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671963547 493719708 /nfs/dbraw/zinc/71/97/08/493719708.db2.gz HUNHDWJZLLABBD-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH+](C)CC1 ZINC000672007358 493723480 /nfs/dbraw/zinc/72/34/80/493723480.db2.gz HSEFXPOPCASWQC-LNRIEFBSSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009158 493723967 /nfs/dbraw/zinc/72/39/67/493723967.db2.gz YXQNUMFWDFSLCR-HOTGVXAUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C1CC[NH+](C)CC1 ZINC000672012778 493724298 /nfs/dbraw/zinc/72/42/98/493724298.db2.gz WJDOJSJBINTSRD-UAGQMJEPSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000672014990 493725198 /nfs/dbraw/zinc/72/51/98/493725198.db2.gz PZLDGTFAAAVDEX-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672165605 493739351 /nfs/dbraw/zinc/73/93/51/493739351.db2.gz JWYIJTOYUDLFFW-QGZVFWFLSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304753 493751810 /nfs/dbraw/zinc/75/18/10/493751810.db2.gz JITJHQNYUDNULW-MSOLQXFVSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310251 493753981 /nfs/dbraw/zinc/75/39/81/493753981.db2.gz LTKOOWFGVOWBKI-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309456 493754153 /nfs/dbraw/zinc/75/41/53/493754153.db2.gz NOJRHVKMBJCFGA-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H]1C ZINC000672311500 493755207 /nfs/dbraw/zinc/75/52/07/493755207.db2.gz FFSRBFHZZIQAGE-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000419965177 536449394 /nfs/dbraw/zinc/44/93/94/536449394.db2.gz GRLQTUPIKJGQJV-CQSZACIVSA-N 2 0 352.454 0.688 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000410430694 527730333 /nfs/dbraw/zinc/73/03/33/527730333.db2.gz FXJRPSDZYUOQRA-QGZVFWFLSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847520 527804772 /nfs/dbraw/zinc/80/47/72/527804772.db2.gz WOSFUWXOGWOSOL-WMZOPIPTSA-N 2 0 364.534 0.977 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413347436 527970546 /nfs/dbraw/zinc/97/05/46/527970546.db2.gz YRBUZBPESFZKHU-UHFFFAOYSA-N 2 0 369.554 0.814 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413456242 528142565 /nfs/dbraw/zinc/14/25/65/528142565.db2.gz OYRNSOSACYVOKF-HNNXBMFYSA-N 2 0 358.483 0.091 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000410781339 528247823 /nfs/dbraw/zinc/24/78/23/528247823.db2.gz BUOOADPRRIZGNB-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)C(C)C)O1 ZINC000189508257 528821778 /nfs/dbraw/zinc/82/17/78/528821778.db2.gz AHNGBRQHMWLNFJ-IYBDPMFKSA-N 2 0 356.511 0.447 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410889337 528891404 /nfs/dbraw/zinc/89/14/04/528891404.db2.gz YNFOFDFSRVIDCS-KRWDZBQOSA-N 2 0 352.523 0.975 20 0 FCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000436066444 534978875 /nfs/dbraw/zinc/97/88/75/534978875.db2.gz QWJAIHDRTRTBOO-ZDUSSCGKSA-N 2 0 353.467 0.026 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140574 535126077 /nfs/dbraw/zinc/12/60/77/535126077.db2.gz SNAQWLKCVYPUNW-HUUCEWRRSA-N 2 0 350.467 0.289 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419929921 535159512 /nfs/dbraw/zinc/15/95/12/535159512.db2.gz NHXKTAAEBJLQIM-UHFFFAOYSA-N 2 0 368.522 0.453 20 0 FCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419231479 535193163 /nfs/dbraw/zinc/19/31/63/535193163.db2.gz RWVFHBXXKBSCOW-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417400416 535264676 /nfs/dbraw/zinc/26/46/76/535264676.db2.gz YPXLUZVKAPBUQM-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000423451020 535549601 /nfs/dbraw/zinc/54/96/01/535549601.db2.gz UIHRKOWBRZQPLB-WBVHZDCISA-N 2 0 368.522 0.532 20 0 FCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)CC1CC1 ZINC000423479322 535713104 /nfs/dbraw/zinc/71/31/04/535713104.db2.gz VBVZRMHSVCSBJL-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)c2)CC1 ZINC000415361411 535749730 /nfs/dbraw/zinc/74/97/30/535749730.db2.gz NBDLYIYYRPPVCG-QGZVFWFLSA-N 2 0 373.501 0.977 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804708 535857696 /nfs/dbraw/zinc/85/76/96/535857696.db2.gz OPKBLRXJNPKLHY-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419217782 535904024 /nfs/dbraw/zinc/90/40/24/535904024.db2.gz RBUWQQWLUOEFIR-UHFFFAOYSA-N 2 0 364.490 0.687 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000415274067 535905280 /nfs/dbraw/zinc/90/52/80/535905280.db2.gz SSNXLCBYXVXTOL-GFCCVEGCSA-N 2 0 352.410 0.654 20 0 FCADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418199283 535917700 /nfs/dbraw/zinc/91/77/00/535917700.db2.gz WVMDGDHUYHKMDW-CQSZACIVSA-N 2 0 357.405 0.818 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000419712358 535926864 /nfs/dbraw/zinc/92/68/64/535926864.db2.gz PESZDROONVJJHX-FHWLQOOXSA-N 2 0 372.513 0.993 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000419712360 535927089 /nfs/dbraw/zinc/92/70/89/535927089.db2.gz PESZDROONVJJHX-IPMKNSEASA-N 2 0 372.513 0.993 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000419712359 535927650 /nfs/dbraw/zinc/92/76/50/535927650.db2.gz PESZDROONVJJHX-GBESFXJTSA-N 2 0 372.513 0.993 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000419711970 535927656 /nfs/dbraw/zinc/92/76/56/535927656.db2.gz OJWXNXMNKMWTGL-QZTJIDSGSA-N 2 0 358.486 0.475 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000419200429 535944139 /nfs/dbraw/zinc/94/41/39/535944139.db2.gz FGWZTQLZHVJGKV-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423451449 536366720 /nfs/dbraw/zinc/36/67/20/536366720.db2.gz VCBDTHNGRRHCEO-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613922 536367618 /nfs/dbraw/zinc/36/76/18/536367618.db2.gz RXEYAZUYOHHBEX-WIYYLYMNSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163115 536368138 /nfs/dbraw/zinc/36/81/38/536368138.db2.gz JCXHCLHCRXJLFC-QZTJIDSGSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000415313961 536370008 /nfs/dbraw/zinc/37/00/08/536370008.db2.gz FMJHTSJCIBPKSD-QGZVFWFLSA-N 2 0 373.501 0.976 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000423471847 536415914 /nfs/dbraw/zinc/41/59/14/536415914.db2.gz FLJXMOGYRWTTBP-INIZCTEOSA-N 2 0 362.474 0.406 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000423464694 536415940 /nfs/dbraw/zinc/41/59/40/536415940.db2.gz GXOSYOMLBWCPNJ-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)C1 ZINC000423448912 536416147 /nfs/dbraw/zinc/41/61/47/536416147.db2.gz QTMYALVBMPPOGI-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000423733764 536422625 /nfs/dbraw/zinc/42/26/25/536422625.db2.gz QBNONDPOOIMBNZ-HNNXBMFYSA-N 2 0 360.462 0.030 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419753027 536450229 /nfs/dbraw/zinc/45/02/29/536450229.db2.gz NEQOSSHBAVIGJW-OAHLLOKOSA-N 2 0 368.522 0.498 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419773583 536481673 /nfs/dbraw/zinc/48/16/73/536481673.db2.gz ZSDNZLLOEBSJGD-MSOLQXFVSA-N 2 0 358.486 0.881 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000419745405 536746125 /nfs/dbraw/zinc/74/61/25/536746125.db2.gz ACJASLYWYKBLPM-ZIAGYGMSSA-N 2 0 354.495 0.188 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419751269 536746917 /nfs/dbraw/zinc/74/69/17/536746917.db2.gz KEGWHMMGCZAJTI-UHFFFAOYSA-N 2 0 368.522 0.770 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419725617 536874515 /nfs/dbraw/zinc/87/45/15/536874515.db2.gz IPCNLBWQBUCPFS-MRXNPFEDSA-N 2 0 354.495 0.252 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000423585729 537113939 /nfs/dbraw/zinc/11/39/39/537113939.db2.gz AGIXCKQXDFBMKI-AWEZNQCLSA-N 2 0 361.446 0.079 20 0 FCADRP COc1cc(C)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130528086 546533442 /nfs/dbraw/zinc/53/34/42/546533442.db2.gz SXGWELYENNBFRG-UHFFFAOYSA-N 2 0 350.463 0.894 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1ccco1 ZINC000174723227 546583593 /nfs/dbraw/zinc/58/35/93/546583593.db2.gz SQKMZSCDIOZTBK-UHFFFAOYSA-N 2 0 351.451 0.175 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+](C)C1 ZINC000594283153 546778268 /nfs/dbraw/zinc/77/82/68/546778268.db2.gz CSKPOZJXSUKJJE-OAGGEKHMSA-N 2 0 352.479 0.750 20 0 FCADRP COc1cc(OC)cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000532609547 546885566 /nfs/dbraw/zinc/88/55/66/546885566.db2.gz QUZWAPUPVQAWHA-UHFFFAOYSA-N 2 0 359.492 0.818 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000423245032 546914032 /nfs/dbraw/zinc/91/40/32/546914032.db2.gz IKYIRVLZKVFOEB-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000550456259 547087383 /nfs/dbraw/zinc/08/73/83/547087383.db2.gz CFNHHPZISLFYTC-GDBMZVCRSA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000550632462 547092268 /nfs/dbraw/zinc/09/22/68/547092268.db2.gz JMUJEKSZUAFZTP-QGZVFWFLSA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000550838747 547110297 /nfs/dbraw/zinc/11/02/97/547110297.db2.gz LIDDOHPAUZPPIS-SFHVURJKSA-N 2 0 370.563 0.778 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000551217582 547136040 /nfs/dbraw/zinc/13/60/40/547136040.db2.gz SAYKPYJAUVMEFQ-MAUKXSAKSA-N 2 0 368.547 0.627 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278624 547138512 /nfs/dbraw/zinc/13/85/12/547138512.db2.gz SALOZDNGHCROLA-HOTGVXAUSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551282634 547140017 /nfs/dbraw/zinc/14/00/17/547140017.db2.gz CJPRIBXUGKFTKU-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551282635 547140162 /nfs/dbraw/zinc/14/01/62/547140162.db2.gz CJPRIBXUGKFTKU-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551282636 547140423 /nfs/dbraw/zinc/14/04/23/547140423.db2.gz CJPRIBXUGKFTKU-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000551490137 547147821 /nfs/dbraw/zinc/14/78/21/547147821.db2.gz LLFSLLYHRQSTBD-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000552851873 547235854 /nfs/dbraw/zinc/23/58/54/547235854.db2.gz WFEMYIODBORULR-YOEHRIQHSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000553039091 547248463 /nfs/dbraw/zinc/24/84/63/547248463.db2.gz FYUAARCPHGREJX-CQSZACIVSA-N 2 0 354.495 0.155 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000553279676 547266520 /nfs/dbraw/zinc/26/65/20/547266520.db2.gz CFKOECUPCODZJO-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000553359648 547272110 /nfs/dbraw/zinc/27/21/10/547272110.db2.gz AVGCIQKASYZMBA-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000553367728 547274220 /nfs/dbraw/zinc/27/42/20/547274220.db2.gz YQZVVPKWJPFWKI-GJZGRUSLSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000553704967 547302166 /nfs/dbraw/zinc/30/21/66/547302166.db2.gz LAWKHBLRBIXGNF-KZGGZSBBSA-N 2 0 352.479 0.986 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948995283 674391542 /nfs/dbraw/zinc/39/15/42/674391542.db2.gz YPIGYLQOICJXDB-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949020862 674392331 /nfs/dbraw/zinc/39/23/31/674392331.db2.gz LGJMQFBYWBMXFJ-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCI)CC1 ZINC000190977649 674421108 /nfs/dbraw/zinc/42/11/08/674421108.db2.gz MXQPAGOWTPMUAZ-UHFFFAOYSA-N 2 0 353.248 0.811 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950247766 674423248 /nfs/dbraw/zinc/42/32/48/674423248.db2.gz FPOMZOWBJIRZCX-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950674007 674433473 /nfs/dbraw/zinc/43/34/73/674433473.db2.gz QJFRJWLJGXXQNQ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC000738448976 598526707 /nfs/dbraw/zinc/52/67/07/598526707.db2.gz CDCBLXMBRSLAAW-LBPRGKRZSA-N 2 0 357.466 0.711 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882874 598530207 /nfs/dbraw/zinc/53/02/07/598530207.db2.gz USAOZUIWUSNSAN-ZIAGYGMSSA-N 2 0 359.482 0.815 20 0 FCADRP C[NH+](C)CC1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736759437 598533205 /nfs/dbraw/zinc/53/32/05/598533205.db2.gz RDPCEKRDAVGMEN-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000736767326 598626941 /nfs/dbraw/zinc/62/69/41/598626941.db2.gz OTIYAOJUESDBIQ-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)CN1CC[NH+](C)CC1 ZINC000736025781 599488478 /nfs/dbraw/zinc/48/84/78/599488478.db2.gz NEEMOHCNEIWSGF-CQSZACIVSA-N 2 0 369.477 0.488 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000953818561 674485061 /nfs/dbraw/zinc/48/50/61/674485061.db2.gz YGSOLIVBIPKBDO-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000821583395 606427915 /nfs/dbraw/zinc/42/79/15/606427915.db2.gz UFWIAKSNGIEVSL-UHFFFAOYSA-N 2 0 369.477 0.630 20 0 FCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821351058 606635290 /nfs/dbraw/zinc/63/52/90/606635290.db2.gz JTTOTZVOPZIADO-QWHCGFSZSA-N 2 0 363.470 0.051 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000897661048 665761534 /nfs/dbraw/zinc/76/15/34/665761534.db2.gz RTQSRBIBQNJIBB-QGZVFWFLSA-N 2 0 351.491 0.811 20 0 FCADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924629282 665855400 /nfs/dbraw/zinc/85/54/00/665855400.db2.gz OGYLODASKRCQKG-HNNXBMFYSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924662156 665860198 /nfs/dbraw/zinc/86/01/98/665860198.db2.gz PUPCSPPHXQWYNB-MRXNPFEDSA-N 2 0 360.568 0.664 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000041745812 665868865 /nfs/dbraw/zinc/86/88/65/665868865.db2.gz JXUPMSWVOFOKAE-INIZCTEOSA-N 2 0 369.579 0.925 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC000990763647 665930490 /nfs/dbraw/zinc/93/04/90/665930490.db2.gz OPGFUVIWJFDHGN-RCJHGTSTSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001022022484 663389009 /nfs/dbraw/zinc/38/90/09/663389009.db2.gz WSGMQBMIKOCDCA-HZMVEIRTSA-N 2 0 352.523 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@@H+]1C ZINC001022101965 663404469 /nfs/dbraw/zinc/40/44/69/663404469.db2.gz AOQNOPXZYGSMFN-LJIZCISZSA-N 2 0 350.507 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001022109029 663405859 /nfs/dbraw/zinc/40/58/59/663405859.db2.gz BNVKFKOQJWVJSE-LJISPDSOSA-N 2 0 352.458 0.715 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000891493709 663409549 /nfs/dbraw/zinc/40/95/49/663409549.db2.gz ZBQYNZGDWGNCIY-KRWDZBQOSA-N 2 0 350.463 0.929 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891537181 663412759 /nfs/dbraw/zinc/41/27/59/663412759.db2.gz YPIAGILRJBEOPJ-UHFFFAOYSA-N 2 0 351.495 0.594 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891655395 663424082 /nfs/dbraw/zinc/42/40/82/663424082.db2.gz PAAGIGISXRTFTN-GASCZTMLSA-N 2 0 353.511 0.650 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCCOCC[NH+](C)C)cc1 ZINC000891843664 663442056 /nfs/dbraw/zinc/44/20/56/663442056.db2.gz FMLMIVSMOGTXNA-QGZVFWFLSA-N 2 0 350.463 0.929 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891999599 663465444 /nfs/dbraw/zinc/46/54/44/663465444.db2.gz MGCSZVDFTWWWTF-SJORKVTESA-N 2 0 353.511 0.082 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000892091465 663475299 /nfs/dbraw/zinc/47/52/99/663475299.db2.gz KUDWZHHBIJNTBD-YJNKXOJESA-N 2 0 351.451 0.080 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000892096931 663475690 /nfs/dbraw/zinc/47/56/90/663475690.db2.gz KJSIXSDEASKMQC-GJZGRUSLSA-N 2 0 351.495 0.642 20 0 FCADRP COCC1(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000892111888 663477731 /nfs/dbraw/zinc/47/77/31/663477731.db2.gz FPFFHXOBXMOBON-NEPJUHHUSA-N 2 0 352.401 0.781 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001022737521 663507443 /nfs/dbraw/zinc/50/74/43/663507443.db2.gz WSGMQBMIKOCDCA-NXOAAHMSSA-N 2 0 352.523 0.972 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926413564 663514058 /nfs/dbraw/zinc/51/40/58/663514058.db2.gz HJRLZVMRYZIRHQ-OAHLLOKOSA-N 2 0 350.463 0.757 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892471635 663943973 /nfs/dbraw/zinc/94/39/73/663943973.db2.gz SMBARGWPUIGHOR-UHFFFAOYSA-N 2 0 351.495 0.548 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C(F)(F)F ZINC000892761461 664138033 /nfs/dbraw/zinc/13/80/33/664138033.db2.gz WKQUZIVBTRWCLO-AGIUHOORSA-N 2 0 364.412 0.924 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892820853 664146726 /nfs/dbraw/zinc/14/67/26/664146726.db2.gz WRONKVPUKAXYMP-VQHPVUNQSA-N 2 0 352.479 0.090 20 0 FCADRP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CCOCC1 ZINC000892837528 664148975 /nfs/dbraw/zinc/14/89/75/664148975.db2.gz CTOUOGCLXLAOCL-HZMVEIRTSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC([NH2+]Cc3nncs3)CC2)O1 ZINC001026514359 664239547 /nfs/dbraw/zinc/23/95/47/664239547.db2.gz BLEWPEPEEUVKNI-BLYZHGLHSA-N 2 0 353.492 0.774 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000978174309 664432818 /nfs/dbraw/zinc/43/28/18/664432818.db2.gz FJEGRRNTSKDWMQ-DZVNLGKHSA-N 2 0 351.491 0.020 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000980225287 664473039 /nfs/dbraw/zinc/47/30/39/664473039.db2.gz GYHNWMLADGQUGP-RDHHWEPZSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCF)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043087 664816413 /nfs/dbraw/zinc/81/64/13/664816413.db2.gz GENYIVWZLSATCR-BBWFWOEESA-N 2 0 357.470 0.806 20 0 FCADRP CC(C)N1CC[C@H](N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196402 664816662 /nfs/dbraw/zinc/81/66/62/664816662.db2.gz CKSDZTWEGFHFNM-ZACQAIPSSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(CC(=O)NC3CCCC3)CC2)CC[N@@H+]1C ZINC000981194253 664817087 /nfs/dbraw/zinc/81/70/87/664817087.db2.gz OMQRMZQKMVJUFO-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205247 664837567 /nfs/dbraw/zinc/83/75/67/664837567.db2.gz CRBJCXVNLLRYMB-NVXWUHKLSA-N 2 0 352.504 0.637 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778774 664839494 /nfs/dbraw/zinc/83/94/94/664839494.db2.gz PLOISJZMQXCSHE-ARFHVFGLSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001028549550 664901634 /nfs/dbraw/zinc/90/16/34/664901634.db2.gz BAPNZEVWKPLJJE-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001028552958 664902381 /nfs/dbraw/zinc/90/23/81/664902381.db2.gz WTBCJUSYPSMOKS-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1(F)F ZINC000894165860 664902623 /nfs/dbraw/zinc/90/26/23/664902623.db2.gz ISKWRWQIKRAQAQ-UKRRQHHQSA-N 2 0 354.401 0.977 20 0 FCADRP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1(F)F ZINC000894210432 664924949 /nfs/dbraw/zinc/92/49/49/664924949.db2.gz GEHLEUWFQKDDGI-KGLIPLIRSA-N 2 0 354.401 0.977 20 0 FCADRP C[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000924949668 664942284 /nfs/dbraw/zinc/94/22/84/664942284.db2.gz HCOINQWZUSTWFQ-HOTGVXAUSA-N 2 0 360.568 0.520 20 0 FCADRP C[C@@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000261864183 664942651 /nfs/dbraw/zinc/94/26/51/664942651.db2.gz NMHMFRZIUWWKDA-JSGCOSHPSA-N 2 0 350.429 0.965 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262116995 665008524 /nfs/dbraw/zinc/00/85/24/665008524.db2.gz VZSRRLJTBLERIC-CABCVRRESA-N 2 0 350.850 0.681 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896300633 665080017 /nfs/dbraw/zinc/08/00/17/665080017.db2.gz ITYAIVCLEGUHIA-QGZVFWFLSA-N 2 0 351.491 0.858 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984692301 665091040 /nfs/dbraw/zinc/09/10/40/665091040.db2.gz ORMUGSQSEKYSRN-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728450799 665146571 /nfs/dbraw/zinc/14/65/71/665146571.db2.gz HSTNJOVUWVAVRD-MRXNPFEDSA-N 2 0 367.563 0.585 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897146369 665148129 /nfs/dbraw/zinc/14/81/29/665148129.db2.gz RMECPQNJPOUWOI-KZNAEPCWSA-N 2 0 351.491 0.807 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985492189 665171086 /nfs/dbraw/zinc/17/10/86/665171086.db2.gz UTSJHGAIEKJEBH-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000987954886 665271252 /nfs/dbraw/zinc/27/12/52/665271252.db2.gz XUTPBUCGFHZQHN-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000987964379 665271744 /nfs/dbraw/zinc/27/17/44/665271744.db2.gz SVVXQGAPVUTECW-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000988099225 665275467 /nfs/dbraw/zinc/27/54/67/665275467.db2.gz ULPXHZXKOUMTFU-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000938041058 665313318 /nfs/dbraw/zinc/31/33/18/665313318.db2.gz QGLKALNCIPVNIJ-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCCNC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000905523364 666027097 /nfs/dbraw/zinc/02/70/97/666027097.db2.gz RSZGDLWYEJJSEC-UHFFFAOYSA-N 2 0 355.552 0.618 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)C1CCC([NH+]2CCOCC2)CC1 ZINC000908526073 666210202 /nfs/dbraw/zinc/21/02/02/666210202.db2.gz JZNAURZLNCKIOI-ABHNRTSZSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419160302 674726670 /nfs/dbraw/zinc/72/66/70/674726670.db2.gz YWSHGQKLZSYKKH-VQIMIIECSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000910985404 666302015 /nfs/dbraw/zinc/30/20/15/666302015.db2.gz XNRQVURGOQXGLC-JYJNAYRXSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000911076847 666310068 /nfs/dbraw/zinc/31/00/68/666310068.db2.gz KFYNCCUIXICVHP-UHFFFAOYSA-N 2 0 350.488 0.684 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000911166787 666319476 /nfs/dbraw/zinc/31/94/76/666319476.db2.gz VUYQZPDREHSAHY-BBRMVZONSA-N 2 0 350.438 0.742 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000911167663 666319492 /nfs/dbraw/zinc/31/94/92/666319492.db2.gz VUYQZPDREHSAHY-XJKSGUPXSA-N 2 0 350.438 0.742 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911556046 666365643 /nfs/dbraw/zinc/36/56/43/666365643.db2.gz IPHBRBSEQLXOFG-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911556047 666365668 /nfs/dbraw/zinc/36/56/68/666365668.db2.gz IPHBRBSEQLXOFG-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000991421987 666492497 /nfs/dbraw/zinc/49/24/97/666492497.db2.gz STXSDEGDWPIDDK-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC000941217556 666593557 /nfs/dbraw/zinc/59/35/57/666593557.db2.gz IXGBRLFZACIIAB-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000992205457 666624183 /nfs/dbraw/zinc/62/41/83/666624183.db2.gz IVZKGXHJHFKDJJ-RKHAHWSXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000944050986 666824396 /nfs/dbraw/zinc/82/43/96/666824396.db2.gz UBDJQLWQZXQRSV-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000944185098 666834234 /nfs/dbraw/zinc/83/42/34/666834234.db2.gz VJKDGLVHHIKPDK-YYIAUSFCSA-N 2 0 350.507 0.918 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993608124 666921046 /nfs/dbraw/zinc/92/10/46/666921046.db2.gz UPWYUSODOGZZOC-IJLUTSLNSA-N 2 0 355.389 0.048 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000996602001 666942854 /nfs/dbraw/zinc/94/28/54/666942854.db2.gz DDALBJPYZXHLLF-JKSUJKDBSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993839386 666943014 /nfs/dbraw/zinc/94/30/14/666943014.db2.gz ILQGOCTUJYOVPL-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000993928379 666947880 /nfs/dbraw/zinc/94/78/80/666947880.db2.gz FPMCLDLKBWWKRC-BFYDXBDKSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000999199519 667230682 /nfs/dbraw/zinc/23/06/82/667230682.db2.gz HKYZRVXXLJKYHD-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000999199017 667230836 /nfs/dbraw/zinc/23/08/36/667230836.db2.gz FURSYPOHCBIKME-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247042 667526573 /nfs/dbraw/zinc/52/65/73/667526573.db2.gz XZIUUDVZDJMMDQ-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247044 667526753 /nfs/dbraw/zinc/52/67/53/667526753.db2.gz XZIUUDVZDJMMDQ-OIISXLGYSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)[NH+](C)C ZINC001002823305 667566324 /nfs/dbraw/zinc/56/63/24/667566324.db2.gz BHMLDKIFYGMMMG-CBZIJGRNSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@@H](C)C(N)=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597775 667677450 /nfs/dbraw/zinc/67/74/50/667677450.db2.gz JTKDOGMUNXHRGO-ZOFXXKQRSA-N 2 0 350.507 0.761 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000946797081 667727726 /nfs/dbraw/zinc/72/77/26/667727726.db2.gz XNPXKVRXCHAFMG-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001033838433 667739580 /nfs/dbraw/zinc/73/95/80/667739580.db2.gz OIMBCGNZRHZHBG-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC[NH+](CCO)CC1 ZINC001005409732 667740196 /nfs/dbraw/zinc/74/01/96/667740196.db2.gz LIFINCSTUNERRH-MSOLQXFVSA-N 2 0 353.507 0.648 20 0 FCADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406892 667740429 /nfs/dbraw/zinc/74/04/29/667740429.db2.gz KFYPDKVZKOMVQA-CKEIUWERSA-N 2 0 350.507 0.917 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186807 667775563 /nfs/dbraw/zinc/77/55/63/667775563.db2.gz JWQYJXVONRHDPY-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001035371984 667776628 /nfs/dbraw/zinc/77/66/28/667776628.db2.gz JQANKTFDXOSHGW-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000923345777 667826762 /nfs/dbraw/zinc/82/67/62/667826762.db2.gz NADDQTMGLWJRHC-CABCVRRESA-N 2 0 353.438 0.885 20 0 FCADRP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923397069 667830936 /nfs/dbraw/zinc/83/09/36/667830936.db2.gz BRLXRLNZLGXIGQ-JKSUJKDBSA-N 2 0 351.495 0.785 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000946909181 667841535 /nfs/dbraw/zinc/84/15/35/667841535.db2.gz JOKPSIPDFARFTI-MUIFIZLQSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000946914268 667846108 /nfs/dbraw/zinc/84/61/08/667846108.db2.gz DKYWZFDQGVWJJD-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923535194 667846334 /nfs/dbraw/zinc/84/63/34/667846334.db2.gz ZJJANZDRPQUKAK-HKUYNNGSSA-N 2 0 352.523 0.677 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=S)NCC3CC[NH+](C)CC3)C2)CC1 ZINC000760484427 667851190 /nfs/dbraw/zinc/85/11/90/667851190.db2.gz JTPHQXAMCPWRDC-INIZCTEOSA-N 2 0 353.580 0.961 20 0 FCADRP CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923601433 667869364 /nfs/dbraw/zinc/86/93/64/667869364.db2.gz QQZLSXMKLHZLLG-UHFFFAOYSA-N 2 0 367.519 0.170 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524799 668005138 /nfs/dbraw/zinc/00/51/38/668005138.db2.gz KVXXQEVTXJGNGB-GFCCVEGCSA-N 2 0 354.480 0.351 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608582 668038559 /nfs/dbraw/zinc/03/85/59/668038559.db2.gz FTQZBEZSWZSHJP-QWHCGFSZSA-N 2 0 355.508 0.417 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511553 668153925 /nfs/dbraw/zinc/15/39/25/668153925.db2.gz TUUAEAQOAWSZNZ-HOCLYGCPSA-N 2 0 350.463 0.080 20 0 FCADRP CN(CC[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000774731878 668169043 /nfs/dbraw/zinc/16/90/43/668169043.db2.gz WGXSMGROSRXRDI-UHFFFAOYSA-N 2 0 368.547 0.834 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H]1C1CCOCC1)C2=O ZINC000776772473 668292157 /nfs/dbraw/zinc/29/21/57/668292157.db2.gz OGLMROURBZAJCD-HNNXBMFYSA-N 2 0 350.463 0.851 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H]1C1CCOCC1)C2=O ZINC000776772474 668292183 /nfs/dbraw/zinc/29/21/83/668292183.db2.gz OGLMROURBZAJCD-OAHLLOKOSA-N 2 0 350.463 0.851 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000777757790 668336893 /nfs/dbraw/zinc/33/68/93/668336893.db2.gz ZPVIBHRPQNWZFG-HNNXBMFYSA-N 2 0 358.483 0.043 20 0 FCADRP COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1F ZINC000784391483 668654625 /nfs/dbraw/zinc/65/46/25/668654625.db2.gz BDMVNJLWAHFKMD-UHFFFAOYSA-N 2 0 354.426 0.725 20 0 FCADRP NC(=O)COc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069676 670534004 /nfs/dbraw/zinc/53/40/04/670534004.db2.gz CHWIWAPWWZDSRD-CQSZACIVSA-N 2 0 360.380 0.476 20 0 FCADRP NC(=O)COc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069674 670534273 /nfs/dbraw/zinc/53/42/73/670534273.db2.gz CHWIWAPWWZDSRD-AWEZNQCLSA-N 2 0 360.380 0.476 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842050206 670630165 /nfs/dbraw/zinc/63/01/65/670630165.db2.gz PZRLSIYRVVUSRY-YYAJDYIMSA-N 2 0 350.507 0.824 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000842201796 670648182 /nfs/dbraw/zinc/64/81/82/670648182.db2.gz CKBHWQCPNLTYQJ-UYSNPLJNSA-N 2 0 352.479 0.086 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842737467 670723138 /nfs/dbraw/zinc/72/31/38/670723138.db2.gz KIJQRYDJIBDODV-UHFFFAOYSA-N 2 0 357.524 0.952 20 0 FCADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843346421 670802481 /nfs/dbraw/zinc/80/24/81/670802481.db2.gz GULDFBQOQWALKW-CYBMUJFWSA-N 2 0 351.451 0.333 20 0 FCADRP C[C@@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843353498 670804192 /nfs/dbraw/zinc/80/41/92/670804192.db2.gz KJDGZSDWVSBLCG-CHWSQXEVSA-N 2 0 351.451 0.332 20 0 FCADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000968009365 675177523 /nfs/dbraw/zinc/17/75/23/675177523.db2.gz JLDJTYDSFNNTJF-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[NH+]2CCC(OC)CC2)CC1 ZINC000849102844 671318099 /nfs/dbraw/zinc/31/80/99/671318099.db2.gz BQEVLULSQULXED-UHFFFAOYSA-N 2 0 355.483 0.832 20 0 FCADRP COc1cc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)ccc1OCC[NH+](C)C ZINC000852860498 671528089 /nfs/dbraw/zinc/52/80/89/671528089.db2.gz DZYDPWVDWPDIMJ-CYBMUJFWSA-N 2 0 350.419 0.355 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857113986 671717556 /nfs/dbraw/zinc/71/75/56/671717556.db2.gz LGRAVIWEBKGNPL-HNNXBMFYSA-N 2 0 355.527 0.993 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521950 675938123 /nfs/dbraw/zinc/93/81/23/675938123.db2.gz JKSSPNXZNQRJNK-DEWZPKMOSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000859271898 671806521 /nfs/dbraw/zinc/80/65/21/671806521.db2.gz JFINGEFHZUDJHU-XMTFNYHQSA-N 2 0 374.598 0.858 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@@H](CO)[C@H](O)C1)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275346 671807428 /nfs/dbraw/zinc/80/74/28/671807428.db2.gz HWKZUGDSAXZHLR-XMTFNYHQSA-N 2 0 374.598 0.045 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000859293603 671811287 /nfs/dbraw/zinc/81/12/87/671811287.db2.gz JBJHNJGSFCBVMS-KLHDSHLOSA-N 2 0 368.598 0.923 20 0 FCADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756824 675968450 /nfs/dbraw/zinc/96/84/50/675968450.db2.gz WGXCLQSTQXMMDR-HOTGVXAUSA-N 2 0 357.520 0.645 20 0 FCADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713423 675963039 /nfs/dbraw/zinc/96/30/39/675963039.db2.gz PWVILTDKTBBZPF-IRXDYDNUSA-N 3 0 350.507 0.289 20 0 FCADRP O=C([C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729604 675964590 /nfs/dbraw/zinc/96/45/90/675964590.db2.gz PHSGGGWDQPRDBQ-IAGOWNOFSA-N 2 0 351.491 0.858 20 0 FCADRP COC(=O)[C@]12C[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C[C@H]1COCC2 ZINC000903918091 675982445 /nfs/dbraw/zinc/98/24/45/675982445.db2.gz RRNGJIQXHWKCCU-QILLFSRXSA-N 2 0 350.463 0.357 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000865924729 672256147 /nfs/dbraw/zinc/25/61/47/672256147.db2.gz BCCSQCGCDYVGCT-ZIAGYGMSSA-N 2 0 360.449 0.727 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc2F)CC1 ZINC000868249707 672390556 /nfs/dbraw/zinc/39/05/56/672390556.db2.gz VBBRJTGSBNAMDD-LBPRGKRZSA-N 2 0 351.426 0.370 20 0 FCADRP CSCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055512471 676021894 /nfs/dbraw/zinc/02/18/94/676021894.db2.gz QZTXXOADPDTLIS-GDBMZVCRSA-N 2 0 370.563 0.777 20 0 FCADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055534348 676022636 /nfs/dbraw/zinc/02/26/36/676022636.db2.gz GTUDWUYWEIDWPB-IIAWOOMASA-N 2 0 354.495 0.058 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055583114 676025087 /nfs/dbraw/zinc/02/50/87/676025087.db2.gz YNTOAPVKRUKEDP-DLBZAZTESA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001055583363 676025359 /nfs/dbraw/zinc/02/53/59/676025359.db2.gz KYMJTJYIFFIJIN-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583553 676025474 /nfs/dbraw/zinc/02/54/74/676025474.db2.gz RZENXZKCSSFAJN-IIAWOOMASA-N 2 0 354.495 0.058 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055650545 676029753 /nfs/dbraw/zinc/02/97/53/676029753.db2.gz ZRFQDLSNAKWOKT-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048778 672823565 /nfs/dbraw/zinc/82/35/65/672823565.db2.gz WAIFVOGIAKQZNP-KURKYZTESA-N 2 0 351.539 0.994 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048775 672823601 /nfs/dbraw/zinc/82/36/01/672823601.db2.gz WAIFVOGIAKQZNP-KSZLIROESA-N 2 0 351.539 0.994 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001001420298 676071394 /nfs/dbraw/zinc/07/13/94/676071394.db2.gz GGHOCPFQQRBJJJ-HYVNUMGLSA-N 2 0 371.547 0.590 20 0 FCADRP CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420539 676071592 /nfs/dbraw/zinc/07/15/92/676071592.db2.gz KSDOQOLXVSYQME-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000878980795 673091548 /nfs/dbraw/zinc/09/15/48/673091548.db2.gz FJGIRLFTDUORBA-XMTFNYHQSA-N 2 0 374.598 0.330 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001051625322 676106984 /nfs/dbraw/zinc/10/69/84/676106984.db2.gz YVXNLOPTPCAMOO-KBRIMQKVSA-N 2 0 350.438 0.878 20 0 FCADRP C[N@H+](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@H]1CCSC1 ZINC000881623523 673233580 /nfs/dbraw/zinc/23/35/80/673233580.db2.gz ITCSEFUFYPWISG-HNNXBMFYSA-N 2 0 368.547 0.756 20 0 FCADRP CN(C)[S@](C)(=O)=NS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000881735655 673238111 /nfs/dbraw/zinc/23/81/11/673238111.db2.gz OOTIIBGRNHPGCY-JOCHJYFZSA-N 2 0 371.573 0.011 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883225281 673369210 /nfs/dbraw/zinc/36/92/10/673369210.db2.gz CVYNMNHOKDAKCY-OAHLLOKOSA-N 2 0 353.511 0.842 20 0 FCADRP CC(C)[N@H+](C)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883285530 673370521 /nfs/dbraw/zinc/37/05/21/673370521.db2.gz RVNGTNCLIFSCMM-UHFFFAOYSA-N 2 0 353.511 0.842 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000883646550 673388493 /nfs/dbraw/zinc/38/84/93/673388493.db2.gz UMNMFZJWDKTJOG-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000883689672 673391150 /nfs/dbraw/zinc/39/11/50/673391150.db2.gz RERGBOUEYSJSNZ-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884026906 673411420 /nfs/dbraw/zinc/41/14/20/673411420.db2.gz OJLMMEONERQNIJ-AWEZNQCLSA-N 2 0 355.280 0.813 20 0 FCADRP C[NH+]1CCN(CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884233342 673440633 /nfs/dbraw/zinc/44/06/33/673440633.db2.gz OHCFGNBTJKLPFQ-CQSZACIVSA-N 2 0 355.280 0.813 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000884305609 673445299 /nfs/dbraw/zinc/44/52/99/673445299.db2.gz AWOFSIGEXLMIPB-GJZGRUSLSA-N 2 0 359.536 0.590 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884486259 673456592 /nfs/dbraw/zinc/45/65/92/673456592.db2.gz RQKLFLMXNLHLKJ-KKUMJFAQSA-N 2 0 362.499 0.649 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504055 673457594 /nfs/dbraw/zinc/45/75/94/673457594.db2.gz ZVHSSGNVPITMLO-KGLIPLIRSA-N 2 0 360.449 0.584 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000884502180 673457688 /nfs/dbraw/zinc/45/76/88/673457688.db2.gz CNOIPAGEWFRNDJ-UONOGXRCSA-N 2 0 360.449 0.584 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000884502181 673457726 /nfs/dbraw/zinc/45/77/26/673457726.db2.gz CNOIPAGEWFRNDJ-ZIAGYGMSSA-N 2 0 360.449 0.584 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555440 673461910 /nfs/dbraw/zinc/46/19/10/673461910.db2.gz RKFPPFUHDQTMIM-PWSUYJOCSA-N 2 0 363.487 0.085 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555441 673461940 /nfs/dbraw/zinc/46/19/40/673461940.db2.gz RKFPPFUHDQTMIM-ZYHUDNBSSA-N 2 0 363.487 0.085 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000884576443 673463146 /nfs/dbraw/zinc/46/31/46/673463146.db2.gz HQECXTQQWFBQLS-STQMWFEESA-N 2 0 364.412 0.430 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884577585 673463686 /nfs/dbraw/zinc/46/36/86/673463686.db2.gz IIBRFQBOVMJBBX-OAFZBRQQSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884601782 673465004 /nfs/dbraw/zinc/46/50/04/673465004.db2.gz VSIQIVXPGQLWGE-LLVKDONJSA-N 2 0 353.492 0.333 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884601297 673465029 /nfs/dbraw/zinc/46/50/29/673465029.db2.gz HEKBXQQNNHOZCE-TUAOUCFPSA-N 2 0 352.401 0.429 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612111 673465947 /nfs/dbraw/zinc/46/59/47/673465947.db2.gz DLQSUUHTXDMKSI-SUMWQHHRSA-N 2 0 356.536 0.434 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612109 673466020 /nfs/dbraw/zinc/46/60/20/673466020.db2.gz DLQSUUHTXDMKSI-DYVFJYSZSA-N 2 0 356.536 0.434 20 0 FCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884649750 673469840 /nfs/dbraw/zinc/46/98/40/673469840.db2.gz NSRLVYJXFCVSDE-GXTWGEPZSA-N 2 0 358.433 0.481 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000884670325 673471153 /nfs/dbraw/zinc/47/11/53/673471153.db2.gz WGQKKYUXSWUVSW-YVECIDJPSA-N 2 0 362.396 0.325 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000884669669 673471186 /nfs/dbraw/zinc/47/11/86/673471186.db2.gz CJWJDGUGFJSPDJ-YPMHNXCESA-N 2 0 363.487 0.230 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000884691392 673474175 /nfs/dbraw/zinc/47/41/75/673474175.db2.gz GIZCGUQXMUDAFH-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000884712255 673475641 /nfs/dbraw/zinc/47/56/41/673475641.db2.gz MNPHJZMHRNBVDR-SFHVURJKSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884726038 673478016 /nfs/dbraw/zinc/47/80/16/673478016.db2.gz FIHVIMUWXWNGQP-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884787602 673482382 /nfs/dbraw/zinc/48/23/82/673482382.db2.gz WYGZYJDIHMSZMC-LLVKDONJSA-N 2 0 351.476 0.087 20 0 FCADRP CCC1([NH3+])CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000884796304 673482677 /nfs/dbraw/zinc/48/26/77/673482677.db2.gz GQUMOSMUMYWTEU-UHFFFAOYSA-N 2 0 350.507 0.955 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC[C@@H]21 ZINC000884879732 673488184 /nfs/dbraw/zinc/48/81/84/673488184.db2.gz MFEPVVUYRMMMNY-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[NH2+]C1 ZINC000884884400 673488518 /nfs/dbraw/zinc/48/85/18/673488518.db2.gz CESUTTCWMJEITR-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[NH2+]C1 ZINC000884885283 673488904 /nfs/dbraw/zinc/48/89/04/673488904.db2.gz YPQLXTDJCIEAKF-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884975722 673495027 /nfs/dbraw/zinc/49/50/27/673495027.db2.gz GPQZIEWBNBRSRG-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000885007866 673497404 /nfs/dbraw/zinc/49/74/04/673497404.db2.gz LVFPYDIBXQSBST-ZOFXXKQRSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H](C)C1 ZINC000885015205 673498542 /nfs/dbraw/zinc/49/85/42/673498542.db2.gz VTFRLQBDAKGRGI-VIQHNZTISA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000885144455 673505666 /nfs/dbraw/zinc/50/56/66/673505666.db2.gz IFSGVNPQGTZGSM-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCCC1 ZINC000885275355 673511005 /nfs/dbraw/zinc/51/10/05/673511005.db2.gz CXQAYPWZKSIVKJ-KBPBESRZSA-N 2 0 360.449 0.586 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000885276628 673511462 /nfs/dbraw/zinc/51/14/62/673511462.db2.gz SGVZWPXFNGRTCL-MGPQQGTHSA-N 2 0 360.449 0.584 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285763 673512184 /nfs/dbraw/zinc/51/21/84/673512184.db2.gz SSCXGTQYRHEEQV-KGLIPLIRSA-N 2 0 360.449 0.538 20 0 FCADRP CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000886850968 673602910 /nfs/dbraw/zinc/60/29/10/673602910.db2.gz ZSPROXDPZXZIHE-QGZVFWFLSA-N 2 0 352.523 0.822 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000887064649 673617765 /nfs/dbraw/zinc/61/77/65/673617765.db2.gz MFKIQEFTHZJLCS-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887080707 673620761 /nfs/dbraw/zinc/62/07/61/673620761.db2.gz DDSDPBHGQQLTOO-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887082891 673621053 /nfs/dbraw/zinc/62/10/53/673621053.db2.gz JPPNUPDNDGMAGR-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C)[NH2+]CCC(=O)N[C@H]1COC[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000888040309 673664819 /nfs/dbraw/zinc/66/48/19/673664819.db2.gz FPVKTCYUKWZPMI-OKILXGFUSA-N 2 0 356.511 0.543 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924672478 673760855 /nfs/dbraw/zinc/76/08/55/673760855.db2.gz SZRXHKHNICFKSX-JKSUJKDBSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C[C@H]1[NH3+] ZINC000926379193 673828049 /nfs/dbraw/zinc/82/80/49/673828049.db2.gz FRENSCGHIRAJCQ-DGCLKSJQSA-N 2 0 364.412 0.667 20 0 FCADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000926443130 673831417 /nfs/dbraw/zinc/83/14/17/673831417.db2.gz NXILHFOXQLFRPY-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC000927637131 673873644 /nfs/dbraw/zinc/87/36/44/673873644.db2.gz NSLPQZZROTXJPM-VYDXJSESSA-N 2 0 354.495 0.336 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000929497840 673959459 /nfs/dbraw/zinc/95/94/59/673959459.db2.gz NDLCQALIONKPIH-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000929537393 673961847 /nfs/dbraw/zinc/96/18/47/673961847.db2.gz XRQWQARMEUNENB-AWEZNQCLSA-N 2 0 354.520 0.285 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001016685623 675404235 /nfs/dbraw/zinc/40/42/35/675404235.db2.gz WMRJIQOZAXNYKJ-LHUBUQBQSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001020174656 675436471 /nfs/dbraw/zinc/43/64/71/675436471.db2.gz KWMCJSKQDGENEL-QUSNUVHPSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC001045781451 675657958 /nfs/dbraw/zinc/65/79/58/675657958.db2.gz MSTDPDAVBROJND-LTIDMASMSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)N1CCCC1 ZINC000900480569 675686590 /nfs/dbraw/zinc/68/65/90/675686590.db2.gz ICIJLZSQGPJTTE-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000900844996 675723371 /nfs/dbraw/zinc/72/33/71/675723371.db2.gz IZXUOCXLDYQTTQ-QZTJIDSGSA-N 2 0 354.539 0.706 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000901229195 675773408 /nfs/dbraw/zinc/77/34/08/675773408.db2.gz QUXBHUNOIZDUHU-UHFFFAOYSA-N 2 0 354.539 0.708 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC2(CCO)CC[NH+](C)CC2)CC1 ZINC000901347226 675784505 /nfs/dbraw/zinc/78/45/05/675784505.db2.gz WSFNDRKGPAUHOP-UHFFFAOYSA-N 2 0 354.539 0.756 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385139 675795695 /nfs/dbraw/zinc/79/56/95/675795695.db2.gz APLVZGSTZNMGOS-YVSFHVDLSA-N 2 0 366.531 0.919 20 0 FCADRP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897488756 1192192590 /nfs/dbraw/zinc/19/25/90/1192192590.db2.gz LJCYVKUPSGIJLG-LSDHHAIUSA-N 2 0 356.430 0.520 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000897493938 1192206609 /nfs/dbraw/zinc/20/66/09/1192206609.db2.gz JYCZIALPZZOPEV-IAGOWNOFSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000897497143 1192213563 /nfs/dbraw/zinc/21/35/63/1192213563.db2.gz VUMXMPQPXXEVIF-NXHRZFHOSA-N 2 0 371.485 0.862 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969223603 1167822953 /nfs/dbraw/zinc/82/29/53/1167822953.db2.gz MEEZRXMCBBLVJL-ZACQAIPSSA-N 2 0 371.441 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000969429567 1167951891 /nfs/dbraw/zinc/95/18/91/1167951891.db2.gz LPZKXGZFQKICAR-WCXIOVBPSA-N 2 0 360.502 0.624 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000969428415 1167952480 /nfs/dbraw/zinc/95/24/80/1167952480.db2.gz OPTRMYDKWXFOFN-MDMSPXHWSA-N 2 0 362.518 0.870 20 0 FCADRP Cc1nc(C)c(C)c(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001125299769 1167985904 /nfs/dbraw/zinc/98/59/04/1167985904.db2.gz WZPQSOCRTBFXEG-HYVNUMGLSA-N 2 0 363.506 0.998 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000969509265 1167998135 /nfs/dbraw/zinc/99/81/35/1167998135.db2.gz WXEZIIGFXPFPNM-OWCLPIDISA-N 2 0 368.522 0.135 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614350 1168162012 /nfs/dbraw/zinc/16/20/12/1168162012.db2.gz WFKQSMPVOCMJHG-DZVNLGKHSA-N 2 0 356.470 0.457 20 0 FCADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092959 1168165699 /nfs/dbraw/zinc/16/56/99/1168165699.db2.gz JCPBKWXLXOECQC-MSOLQXFVSA-N 2 0 360.502 0.954 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104256996 1168816412 /nfs/dbraw/zinc/81/64/12/1168816412.db2.gz ZOKTWUDBHJVFBX-RBSFLKMASA-N 2 0 369.489 0.464 20 0 FCADRP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266560416 1169412146 /nfs/dbraw/zinc/41/21/46/1169412146.db2.gz LUWUWWKVEGFQTK-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cccnc3)C2)CC[N@@H+]1C ZINC001266593649 1169797818 /nfs/dbraw/zinc/79/78/18/1169797818.db2.gz RACUSHKALUNACJ-MWQQHZPXSA-N 2 0 359.474 0.275 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC1 ZINC001021635498 1169856286 /nfs/dbraw/zinc/85/62/86/1169856286.db2.gz CHGGFNSODKJZJU-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+](C)CC1 ZINC000888978103 1170016460 /nfs/dbraw/zinc/01/64/60/1170016460.db2.gz XPLKTPXTTSDDNW-HNNXBMFYSA-N 2 0 371.526 0.147 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364229 1170062902 /nfs/dbraw/zinc/06/29/02/1170062902.db2.gz SFDPCSQCWXBZRQ-QCODTGAPSA-N 2 0 363.462 0.190 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC001021885299 1170250560 /nfs/dbraw/zinc/25/05/60/1170250560.db2.gz HKSZOEAMZAJGBY-OKZBNKHCSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022038116 1170454432 /nfs/dbraw/zinc/45/44/32/1170454432.db2.gz IIMVEEKLCXBNTD-RYQLBKOJSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CCC1 ZINC001022038184 1170455616 /nfs/dbraw/zinc/45/56/16/1170455616.db2.gz JWWGFVFHRVKBOL-DLBZAZTESA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022212359 1170751049 /nfs/dbraw/zinc/75/10/49/1170751049.db2.gz AJCKUYLJUSSUPY-HLLBOEOZSA-N 2 0 359.474 0.506 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022216956 1170765133 /nfs/dbraw/zinc/76/51/33/1170765133.db2.gz DABTVNGKUDNZHG-GVDBMIGSSA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001022219327 1170768237 /nfs/dbraw/zinc/76/82/37/1170768237.db2.gz QTINZSFSRRLUJP-GVDBMIGSSA-N 2 0 360.502 0.482 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691095566 1170801156 /nfs/dbraw/zinc/80/11/56/1170801156.db2.gz CJHCDZHTHMCIBH-APIJFGDWSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673267 1170804516 /nfs/dbraw/zinc/80/45/16/1170804516.db2.gz JATOWBCBKSYGAE-JZYAIQKZSA-N 2 0 363.462 0.046 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC(C)C)C2)CC[N@@H+]1C ZINC001691142861 1170839922 /nfs/dbraw/zinc/83/99/22/1170839922.db2.gz FRZRDXBERUJCNZ-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691226080 1170870959 /nfs/dbraw/zinc/87/09/59/1170870959.db2.gz LOGOMTRQQAPXKU-NUEKZKHPSA-N 2 0 357.520 0.247 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805842 1170881488 /nfs/dbraw/zinc/88/14/88/1170881488.db2.gz RRZPVXVWAXQSHU-ROUUACIJSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001691251041 1170888861 /nfs/dbraw/zinc/88/88/61/1170888861.db2.gz JVENTOIYJPXSAG-BHYGNILZSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C1)[NH+](C)C ZINC001022389684 1170950526 /nfs/dbraw/zinc/95/05/26/1170950526.db2.gz QJCVWGANWZRJBD-USXIJHARSA-N 2 0 361.490 0.752 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(CC)CC ZINC001691314228 1171074577 /nfs/dbraw/zinc/07/45/77/1171074577.db2.gz KPWDYBGEKVNJHF-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691314123 1171074647 /nfs/dbraw/zinc/07/46/47/1171074647.db2.gz HKZRPKVLJITBHN-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001691358731 1171202784 /nfs/dbraw/zinc/20/27/84/1171202784.db2.gz SBBOLKQZLFZMMV-IPYPFGDCSA-N 2 0 367.494 0.271 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953764 1171217800 /nfs/dbraw/zinc/21/78/00/1171217800.db2.gz AURVWUIRFSTVGG-JJXSEGSLSA-N 2 0 365.478 0.295 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953763 1171218336 /nfs/dbraw/zinc/21/83/36/1171218336.db2.gz AURVWUIRFSTVGG-FPCVCCKLSA-N 2 0 365.478 0.295 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC001022471972 1171241632 /nfs/dbraw/zinc/24/16/32/1171241632.db2.gz DLVRXFCYYNKNQF-NNPSNHGLSA-N 2 0 362.518 0.870 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892086077 1171558919 /nfs/dbraw/zinc/55/89/19/1171558919.db2.gz ICOYWMDNTXCMSW-ZACQAIPSSA-N 2 0 371.441 0.366 20 0 FCADRP COCC1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]CC1 ZINC000892112856 1171589288 /nfs/dbraw/zinc/58/92/88/1171589288.db2.gz AXPWQHUDPWUWCT-IAGOWNOFSA-N 3 0 369.554 0.383 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000892262629 1171845225 /nfs/dbraw/zinc/84/52/25/1171845225.db2.gz DPMAXYBYLVBDSK-RDJZCZTQSA-N 2 0 365.522 0.713 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000972247524 1171883311 /nfs/dbraw/zinc/88/33/11/1171883311.db2.gz ITYHDMXHCIJYCS-IAGOWNOFSA-N 2 0 360.502 0.770 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104420516 1171923438 /nfs/dbraw/zinc/92/34/38/1171923438.db2.gz SWQPRVVCUYLXOI-ZIAGYGMSSA-N 2 0 368.445 0.746 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972312850 1171956728 /nfs/dbraw/zinc/95/67/28/1171956728.db2.gz KTMGRTLIGYSHMU-KZNAEPCWSA-N 2 0 360.502 0.483 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001272135013 1192573678 /nfs/dbraw/zinc/57/36/78/1192573678.db2.gz SFGNTVBYQKUFRN-IYBDPMFKSA-N 2 0 360.462 0.079 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C[C@H](C1)O2 ZINC001272135208 1192573989 /nfs/dbraw/zinc/57/39/89/1192573989.db2.gz VDMJWVLYKWPWJY-IYBDPMFKSA-N 2 0 360.462 0.079 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)CC[N@@H+]1C ZINC000989061207 1192667235 /nfs/dbraw/zinc/66/72/35/1192667235.db2.gz NHNACGIIOCFDPO-LTIDMASMSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088678098 1192816645 /nfs/dbraw/zinc/81/66/45/1192816645.db2.gz GMNVFSYUNWPLFY-OAGGEKHMSA-N 2 0 359.474 0.647 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897632230 1192838126 /nfs/dbraw/zinc/83/81/26/1192838126.db2.gz MKENGGFKYCSVGJ-CVEARBPZSA-N 2 0 361.490 0.965 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000898005933 1192853584 /nfs/dbraw/zinc/85/35/84/1192853584.db2.gz LOZZMIMBQDOLHY-XHSDSOJGSA-N 2 0 371.485 0.860 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000898005883 1192853707 /nfs/dbraw/zinc/85/37/07/1192853707.db2.gz KVDNNSFZTLMYMB-RVKKMQEKSA-N 2 0 371.485 0.718 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573437 1192889083 /nfs/dbraw/zinc/88/90/83/1192889083.db2.gz TYTIHMZVCPQGAA-IKGGRYGDSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104450158 1178882789 /nfs/dbraw/zinc/88/27/89/1178882789.db2.gz YYCPQJNOLILSFW-BHIYHBOVSA-N 2 0 367.534 0.944 20 0 FCADRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001087237011 1179072049 /nfs/dbraw/zinc/07/20/49/1179072049.db2.gz XOAZLCZDGKQZAV-IKGGRYGDSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)[NH+](C)C ZINC001023848027 1180384038 /nfs/dbraw/zinc/38/40/38/1180384038.db2.gz WBICKFOBAQDCOF-OWCLPIDISA-N 2 0 368.522 0.279 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023994017 1180730863 /nfs/dbraw/zinc/73/08/63/1180730863.db2.gz WJIACPSUBNAXIG-SOUVJXGZSA-N 2 0 364.494 0.167 20 0 FCADRP CN1CCO[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000081396008 1180749237 /nfs/dbraw/zinc/74/92/37/1180749237.db2.gz RTYNVZZAXPLBQC-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001024446990 1181180104 /nfs/dbraw/zinc/18/01/04/1181180104.db2.gz NNMQLUMQNPWINE-OWCLPIDISA-N 2 0 364.490 0.446 20 0 FCADRP Cc1nccnc1CN1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024506445 1181260449 /nfs/dbraw/zinc/26/04/49/1181260449.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 0 361.490 0.975 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495539 1181345886 /nfs/dbraw/zinc/34/58/86/1181345886.db2.gz QVZIWPCVKBBMNR-HOTGVXAUSA-N 2 0 365.522 0.713 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495540 1181346026 /nfs/dbraw/zinc/34/60/26/1181346026.db2.gz QVZIWPCVKBBMNR-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC12CC(O)C2 ZINC000892543513 1181845853 /nfs/dbraw/zinc/84/58/53/1181845853.db2.gz GIHAFGDWQBFAQU-HFCFLWKCSA-N 2 0 359.474 0.806 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000973312669 1182223213 /nfs/dbraw/zinc/22/32/13/1182223213.db2.gz WSMUYSTWPRUNRA-NNPSNHGLSA-N 2 0 362.518 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@@H+]1C ZINC000973334337 1182244697 /nfs/dbraw/zinc/24/46/97/1182244697.db2.gz CQWJJHFQXZYYQY-ZTTBQOKTSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)Nc1ccon1)C2 ZINC001112009424 1182319914 /nfs/dbraw/zinc/31/99/14/1182319914.db2.gz BWTWFXDTTDTKFR-KSSFIOAISA-N 2 0 363.462 0.924 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690747 1182371349 /nfs/dbraw/zinc/37/13/49/1182371349.db2.gz JICOFFJGTYDMIB-ZACQAIPSSA-N 2 0 370.538 0.554 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001104691740 1182371524 /nfs/dbraw/zinc/37/15/24/1182371524.db2.gz UGRDYTJYMXZKGI-NXHRZFHOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104706856 1182386346 /nfs/dbraw/zinc/38/63/46/1182386346.db2.gz UNHGIAATQQXDGE-OWYHZJEWSA-N 2 0 372.513 0.891 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892754882 1182479562 /nfs/dbraw/zinc/47/95/62/1182479562.db2.gz CHVVJTAVSLGLFK-IYBDPMFKSA-N 2 0 366.506 0.603 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892788110 1182506725 /nfs/dbraw/zinc/50/67/25/1182506725.db2.gz BJLDWOVTFOJBGF-ROUUACIJSA-N 2 0 373.501 0.730 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)C1=O ZINC001083284062 1182516866 /nfs/dbraw/zinc/51/68/66/1182516866.db2.gz MAWCWMZQWOGJQT-YESZJQIVSA-N 2 0 364.490 0.005 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892920154 1182579852 /nfs/dbraw/zinc/57/98/52/1182579852.db2.gz UBRSXLADIADAAU-IAGOWNOFSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC[NH2+]CCOCCO ZINC001104916722 1182993060 /nfs/dbraw/zinc/99/30/60/1182993060.db2.gz BZLOEWBCZPURGG-HZPDHXFCSA-N 2 0 364.490 0.844 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916645 1182993502 /nfs/dbraw/zinc/99/35/02/1182993502.db2.gz ACJIVLMRURSNPI-HUUCEWRRSA-N 2 0 361.490 0.972 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001104967566 1183026220 /nfs/dbraw/zinc/02/62/20/1183026220.db2.gz WDEHSSRYBADMIE-HZPDHXFCSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104967561 1183026520 /nfs/dbraw/zinc/02/65/20/1183026520.db2.gz VMNUFRCGQAURDQ-HUUCEWRRSA-N 2 0 361.490 0.706 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974220443 1183058868 /nfs/dbraw/zinc/05/88/68/1183058868.db2.gz GUVRTBOOEUTQBB-UHDSXZAQSA-N 2 0 366.506 0.343 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)C1 ZINC001105042095 1183089595 /nfs/dbraw/zinc/08/95/95/1183089595.db2.gz NIKISMZNVQCJAX-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001105058310 1183097239 /nfs/dbraw/zinc/09/72/39/1183097239.db2.gz AQLGBYGYYDXCPV-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001105062540 1183097269 /nfs/dbraw/zinc/09/72/69/1183097269.db2.gz WPHVZMRRCVGVLA-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418501679 1183226200 /nfs/dbraw/zinc/22/62/00/1183226200.db2.gz RTTXXAYBSHZBQO-QGZVFWFLSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000975718955 1185641316 /nfs/dbraw/zinc/64/13/16/1185641316.db2.gz DLBITSVRYUJTGY-BZSNNMDCSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)CC[N@@H+]1C ZINC000975720179 1185645558 /nfs/dbraw/zinc/64/55/58/1185645558.db2.gz SVBJFOPPNCXUIK-XDNAFOTISA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000978870408 1186015507 /nfs/dbraw/zinc/01/55/07/1186015507.db2.gz LLFAMXOEPJLKMH-NWHWRWDZSA-N 2 0 366.506 0.057 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@@H+]1C ZINC000979876575 1186134608 /nfs/dbraw/zinc/13/46/08/1186134608.db2.gz WXDIPFYVFWWASL-RXFYRGCNSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001112531523 1186230652 /nfs/dbraw/zinc/23/06/52/1186230652.db2.gz BEFDHBPAJIEHQK-BXWFABGCSA-N 2 0 365.522 0.570 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(Cc2cnnn2C)C3)CC[N@@H+]1C ZINC000981778363 1186519088 /nfs/dbraw/zinc/51/90/88/1186519088.db2.gz IYULQXQNJJQNRU-DLBZAZTESA-N 2 0 360.506 0.970 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)N4CCC4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283491 1186698129 /nfs/dbraw/zinc/69/81/29/1186698129.db2.gz UKOBZXZETYYAOV-SMOSDQRPSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1C ZINC001268309389 1186704130 /nfs/dbraw/zinc/70/41/30/1186704130.db2.gz WVQQZKPLSBWWEY-AYOQOUSVSA-N 2 0 371.485 0.779 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001211720781 1187465926 /nfs/dbraw/zinc/46/59/26/1187465926.db2.gz OYJAIDUGWOVVNO-NZSAHSFTSA-N 2 0 370.497 0.801 20 0 FCADRP C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001481998616 1187567840 /nfs/dbraw/zinc/56/78/40/1187567840.db2.gz CSZGAMNETVTMIR-UMVBOHGHSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1noc2c1COCC2 ZINC001482101843 1187616971 /nfs/dbraw/zinc/61/69/71/1187616971.db2.gz HJVRAARNGVZLIM-MGPQQGTHSA-N 2 0 350.463 0.929 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423242673 1187851478 /nfs/dbraw/zinc/85/14/78/1187851478.db2.gz FNZZBQGPEZZLIO-DLBZAZTESA-N 2 0 368.522 0.389 20 0 FCADRP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)CN(C)C(N)=[NH2+])C3)n(C)n1 ZINC001269992705 1187962195 /nfs/dbraw/zinc/96/21/95/1187962195.db2.gz VNTVVQUFKHQEOE-GOSISDBHSA-N 2 0 361.494 0.368 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001270062010 1187986218 /nfs/dbraw/zinc/98/62/18/1187986218.db2.gz USNWRGWLBBOHAD-INIZCTEOSA-N 2 0 366.506 0.251 20 0 FCADRP CC[NH+]1CCC(C(=O)N2C[C@@]3(F)C(=O)N(CC[NH+](C)C)C[C@@]3(F)C2)CC1 ZINC001270238009 1188059123 /nfs/dbraw/zinc/05/91/23/1188059123.db2.gz JFGKKEDRDPFHHA-QZTJIDSGSA-N 2 0 372.460 0.381 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CCn2ccnc2)C3=O)C1 ZINC001270332494 1188099834 /nfs/dbraw/zinc/09/98/34/1188099834.db2.gz KIGYLVLBAFLVSN-QFBILLFUSA-N 2 0 359.474 0.818 20 0 FCADRP C[C@H](C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)[NH+]1CCCC1 ZINC001270491750 1188172730 /nfs/dbraw/zinc/17/27/30/1188172730.db2.gz XLEWSCBUQMTSDG-BEFAXECRSA-N 2 0 364.490 0.400 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469622 1188212168 /nfs/dbraw/zinc/21/21/68/1188212168.db2.gz NKIIFECLXXHARI-USXIJHARSA-N 2 0 362.449 0.537 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033759 1188213122 /nfs/dbraw/zinc/21/31/22/1188213122.db2.gz HLACFYDTXWFAIX-MJGOQNOKSA-N 2 0 372.513 0.876 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000550094612 1188223077 /nfs/dbraw/zinc/22/30/77/1188223077.db2.gz CQFLBWPUFLTAMR-KRWDZBQOSA-N 2 0 368.522 0.448 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000983709411 1188278593 /nfs/dbraw/zinc/27/85/93/1188278593.db2.gz VJKQHFVAYGHTQZ-KLHDSHLOSA-N 2 0 363.510 0.798 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000550412998 1188366279 /nfs/dbraw/zinc/36/62/79/1188366279.db2.gz PVUZWYLHTFTOSL-GOSISDBHSA-N 2 0 360.502 0.828 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087578293 1189619776 /nfs/dbraw/zinc/61/97/76/1189619776.db2.gz MIYFAHRYKCRRNK-LVQVYYBASA-N 2 0 364.490 0.445 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ncnn3C)C[C@H]2C1 ZINC001087986314 1190114854 /nfs/dbraw/zinc/11/48/54/1190114854.db2.gz FYZFJDQAFCCHEU-IXDOHACOSA-N 2 0 360.506 0.970 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999631 1190170481 /nfs/dbraw/zinc/17/04/81/1190170481.db2.gz VJWBKJPGTZGBBG-SOLBZPMBSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC000984839952 1190181201 /nfs/dbraw/zinc/18/12/01/1190181201.db2.gz ZDYXLHFXUSKNCE-RXABAKJHSA-N 2 0 370.497 0.705 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000984898471 1190228538 /nfs/dbraw/zinc/22/85/38/1190228538.db2.gz LWXFZLIOXUYPMS-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088023324 1190246672 /nfs/dbraw/zinc/24/66/72/1190246672.db2.gz YMFADCNNJOJOMB-SQNIBIBYSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088063876 1190340149 /nfs/dbraw/zinc/34/01/49/1190340149.db2.gz ATEYQFBDJBNJFB-CVEARBPZSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095548 1190563621 /nfs/dbraw/zinc/56/36/21/1190563621.db2.gz UKWFRYWYNSDQGD-ZIFCJYIRSA-N 2 0 364.534 0.975 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106654 1190593050 /nfs/dbraw/zinc/59/30/50/1190593050.db2.gz KZKYUQIPKAUPIM-ZRGWGRIASA-N 2 0 368.497 0.725 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107483 1190596342 /nfs/dbraw/zinc/59/63/42/1190596342.db2.gz ZVMYSBRZALYRPG-BBWFWOEESA-N 2 0 364.534 0.975 20 0 FCADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088135992 1190642161 /nfs/dbraw/zinc/64/21/61/1190642161.db2.gz PIZNIPASLKVGEI-NUJGCVRESA-N 2 0 363.506 0.874 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000985164053 1190661651 /nfs/dbraw/zinc/66/16/51/1190661651.db2.gz JVFCOMYSIUKWLX-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854954 1190731587 /nfs/dbraw/zinc/73/15/87/1190731587.db2.gz XQGYIEOBPSXJTI-HSFUPAIVSA-N 2 0 364.534 0.878 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000986132036 1190902511 /nfs/dbraw/zinc/90/25/11/1190902511.db2.gz WQIOZGIOPYRCQQ-SJORKVTESA-N 2 0 360.502 0.485 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1)[NH+](C)C ZINC000986320057 1190954575 /nfs/dbraw/zinc/95/45/75/1190954575.db2.gz AZATUFLLWCRYBR-FGTMMUONSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000988149432 1191153783 /nfs/dbraw/zinc/15/37/83/1191153783.db2.gz XCRSVPFQBGRLNG-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc1)C(N)=O ZINC001218333329 1224154055 /nfs/dbraw/zinc/15/40/55/1224154055.db2.gz GHQVFQIMLRWHJE-BZSNNMDCSA-N 2 0 374.485 0.479 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001691588966 1193755893 /nfs/dbraw/zinc/75/58/93/1193755893.db2.gz FDEREDGWNDFKGV-LXTVHRRPSA-N 2 0 363.462 0.828 20 0 FCADRP N[C@H](C[NH3+])c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)cc1 ZINC001218510493 1224165514 /nfs/dbraw/zinc/16/55/14/1224165514.db2.gz MKIDDJKVIBVDEG-MRXNPFEDSA-N 2 0 369.425 0.765 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001218518092 1224165734 /nfs/dbraw/zinc/16/57/34/1224165734.db2.gz RKVWOEZJXRCUOX-INIZCTEOSA-N 2 0 362.478 0.406 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000990004883 1193780288 /nfs/dbraw/zinc/78/02/88/1193780288.db2.gz JWTZSZKALOSORO-CVEARBPZSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565470815 1193837874 /nfs/dbraw/zinc/83/78/74/1193837874.db2.gz PMFYVNIBPROVJD-IGKNDFSCSA-N 2 0 369.469 0.102 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105651196 1193855385 /nfs/dbraw/zinc/85/53/85/1193855385.db2.gz FHSJBIVXDUDILP-WWNBULGVSA-N 2 0 367.534 0.941 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655367 1193859867 /nfs/dbraw/zinc/85/98/67/1193859867.db2.gz HUNCOJLYUYGYOD-ZTRFORPCSA-N 2 0 369.550 0.923 20 0 FCADRP Cc1nn(C(C)C)cc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473291 1193902500 /nfs/dbraw/zinc/90/25/00/1193902500.db2.gz SXWVLJWVCFZOSM-DDBAPUKQSA-N 2 0 363.506 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473156 1193903096 /nfs/dbraw/zinc/90/30/96/1193903096.db2.gz LIVNQKNOTUCXMB-DZUCGIPZSA-N 2 0 363.506 0.640 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105667818 1193941544 /nfs/dbraw/zinc/94/15/44/1193941544.db2.gz UDCMKTYABGRPIW-RWQQGDIJSA-N 2 0 371.522 0.177 20 0 FCADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000552687586 1193947190 /nfs/dbraw/zinc/94/71/90/1193947190.db2.gz OTGFCPVPTKYKBT-QGZVFWFLSA-N 3 0 369.554 0.175 20 0 FCADRP COc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000553152682 1193975563 /nfs/dbraw/zinc/97/55/63/1193975563.db2.gz CWYBTORSCPVJJA-GASCZTMLSA-N 2 0 363.510 0.231 20 0 FCADRP COc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000553152684 1193975942 /nfs/dbraw/zinc/97/59/42/1193975942.db2.gz CWYBTORSCPVJJA-HUUCEWRRSA-N 2 0 363.510 0.231 20 0 FCADRP Cn1ncc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])cnc21 ZINC001218616134 1224182520 /nfs/dbraw/zinc/18/25/20/1224182520.db2.gz ZLDSQDDETOEAIH-GJZGRUSLSA-N 2 0 373.461 0.354 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553598339 1194008753 /nfs/dbraw/zinc/00/87/53/1194008753.db2.gz IGMKYDUGLFZNJO-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(Nc1ncnc2c1ncn2[C@H]1CCCO1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218642580 1224187780 /nfs/dbraw/zinc/18/77/80/1224187780.db2.gz AYCIVYRVMOGTJS-CHWSQXEVSA-N 2 0 371.445 0.948 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001218642171 1224188112 /nfs/dbraw/zinc/18/81/12/1224188112.db2.gz QFJMIZZLGPLUPJ-HOTGVXAUSA-N 2 0 352.398 0.079 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001218642695 1224188462 /nfs/dbraw/zinc/18/84/62/1224188462.db2.gz YXZJORNYDLXXPM-UHFFFAOYSA-N 2 0 365.441 0.942 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188590 1194085033 /nfs/dbraw/zinc/08/50/33/1194085033.db2.gz ITHGTTBANBYRAT-FXAWDEMLSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191500 1194086150 /nfs/dbraw/zinc/08/61/50/1194086150.db2.gz YUJTXLMZEPNEAC-OXJNMPFZSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842230248 1194108923 /nfs/dbraw/zinc/10/89/23/1194108923.db2.gz WTPRYNMPPYDBDD-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000842230917 1194108945 /nfs/dbraw/zinc/10/89/45/1194108945.db2.gz LDHPBBYSWXQMET-GOSISDBHSA-N 2 0 358.486 0.748 20 0 FCADRP CN1CCC[C@H]1c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC000899159053 1194116195 /nfs/dbraw/zinc/11/61/95/1194116195.db2.gz UMZYRAZBFPLIQP-RKVPGOIHSA-N 2 0 362.522 0.988 20 0 FCADRP Nc1cn(C(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)ccc1=[NH2+] ZINC001218693748 1224197177 /nfs/dbraw/zinc/19/71/77/1224197177.db2.gz NNLKKXCSQAYUOH-AWEZNQCLSA-N 2 0 354.366 0.962 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)c1cnc(C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000899963480 1194227563 /nfs/dbraw/zinc/22/75/63/1194227563.db2.gz FRIRJQRHRCXLOA-UHFFFAOYSA-N 2 0 364.494 0.617 20 0 FCADRP Nc1cn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218711179 1224201919 /nfs/dbraw/zinc/20/19/19/1224201919.db2.gz UAQDYZAHBAFWJP-HNNXBMFYSA-N 2 0 357.389 0.326 20 0 FCADRP Nc1cn(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218711182 1224202644 /nfs/dbraw/zinc/20/26/44/1224202644.db2.gz UAQDYZAHBAFWJP-OAHLLOKOSA-N 2 0 357.389 0.326 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001218727795 1224206174 /nfs/dbraw/zinc/20/61/74/1224206174.db2.gz QCQBXHGDHSGLMV-DJIMGWMZSA-N 2 0 359.474 0.835 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324045 1194396883 /nfs/dbraw/zinc/39/68/83/1194396883.db2.gz LBDPMTLXZGOVQM-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407655 1194453313 /nfs/dbraw/zinc/45/33/13/1194453313.db2.gz PCCLHTLEHAYDCN-YQQAZPJKSA-N 2 0 366.506 0.107 20 0 FCADRP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001076569455 1194575870 /nfs/dbraw/zinc/57/58/70/1194575870.db2.gz XSSNUQOEWMFNLV-TXPKVOOTSA-N 2 0 368.485 0.953 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076605806 1194593998 /nfs/dbraw/zinc/59/39/98/1194593998.db2.gz ULIGJMAFMIQZEP-ARFHVFGLSA-N 2 0 362.474 0.200 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218880136 1224245773 /nfs/dbraw/zinc/24/57/73/1224245773.db2.gz RQYUOMIOEIWQAQ-RRQGHBQHSA-N 2 0 358.442 0.438 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001218879797 1224245904 /nfs/dbraw/zinc/24/59/04/1224245904.db2.gz HPRAYGSSNAOPHM-OAHLLOKOSA-N 2 0 372.469 0.829 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1=O ZINC001218882174 1224247849 /nfs/dbraw/zinc/24/78/49/1224247849.db2.gz MRSQPCQVDBOELN-HNNXBMFYSA-N 2 0 373.457 0.010 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)n1 ZINC001077014337 1195148092 /nfs/dbraw/zinc/14/80/92/1195148092.db2.gz QOKWYLFZSOMCID-QZTJIDSGSA-N 2 0 361.490 0.720 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014166 1195148607 /nfs/dbraw/zinc/14/86/07/1195148607.db2.gz GRWPOYNTESEWPI-ATZDWAIDSA-N 2 0 371.485 0.981 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127668 1195241110 /nfs/dbraw/zinc/24/11/10/1195241110.db2.gz DUKOTVTWUUCHKB-KZNAEPCWSA-N 2 0 363.506 0.102 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396207 1195495328 /nfs/dbraw/zinc/49/53/28/1195495328.db2.gz UANOCCZDCBJDJU-QZTJIDSGSA-N 2 0 358.442 0.926 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]cnc3C)[C@H]2C1)C1CC1 ZINC001219010221 1224288512 /nfs/dbraw/zinc/28/85/12/1224288512.db2.gz GYNBGVCTVMOUJY-OKZBNKHCSA-N 2 0 362.474 0.987 20 0 FCADRP O[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C[C@@]1(O)CCOC1 ZINC000905082639 1195573818 /nfs/dbraw/zinc/57/38/18/1195573818.db2.gz SGPDJQJXCJNRIK-OALUTQOASA-N 2 0 364.490 0.086 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905368588 1195583959 /nfs/dbraw/zinc/58/39/59/1195583959.db2.gz UCBILWBGEQIYNO-XUVXKRRUSA-N 2 0 364.486 0.635 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000906090722 1195613291 /nfs/dbraw/zinc/61/32/91/1195613291.db2.gz RYXSAZGJBOXPDT-UHFFFAOYSA-N 2 0 361.490 0.410 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC000906477960 1195633612 /nfs/dbraw/zinc/63/36/12/1195633612.db2.gz GAOCCYIZNPPOBX-HDICACEKSA-N 2 0 365.566 0.497 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906477962 1195634281 /nfs/dbraw/zinc/63/42/81/1195634281.db2.gz GAOCCYIZNPPOBX-ROUUACIJSA-N 2 0 365.566 0.497 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)C1 ZINC000906652608 1195642289 /nfs/dbraw/zinc/64/22/89/1195642289.db2.gz NYFDVAGTAYPKRX-MRXNPFEDSA-N 2 0 359.474 0.322 20 0 FCADRP COc1cc(OC)nc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000906656453 1195642332 /nfs/dbraw/zinc/64/23/32/1195642332.db2.gz SAHDBUCMOPIGFK-CQSZACIVSA-N 2 0 363.462 0.734 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906666469 1195643602 /nfs/dbraw/zinc/64/36/02/1195643602.db2.gz QITYLFNVOCZPRK-AWEZNQCLSA-N 2 0 360.458 0.796 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601603 1195651053 /nfs/dbraw/zinc/65/10/53/1195651053.db2.gz DDJVTXAMKMCARW-KURKYZTESA-N 2 0 365.518 0.717 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601604 1195652158 /nfs/dbraw/zinc/65/21/58/1195652158.db2.gz DDJVTXAMKMCARW-SQNIBIBYSA-N 2 0 365.518 0.717 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602002 1195657814 /nfs/dbraw/zinc/65/78/14/1195657814.db2.gz YZDANBOENDQTGU-MSOLQXFVSA-N 2 0 365.518 0.983 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000908001152 1195719830 /nfs/dbraw/zinc/71/98/30/1195719830.db2.gz LEZIHZMGAWGMQP-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961198 1195869313 /nfs/dbraw/zinc/86/93/13/1195869313.db2.gz BDYLPYMGRKAHTB-ZWKOTPCHSA-N 2 0 360.502 0.924 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000910977624 1195873054 /nfs/dbraw/zinc/87/30/54/1195873054.db2.gz VPFKBXNLKORQEH-CRAIPNDOSA-N 2 0 374.485 0.067 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029227 1195880413 /nfs/dbraw/zinc/88/04/13/1195880413.db2.gz LSXOLJJJNYPLTC-LTCOOKNTSA-N 2 0 358.486 0.964 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911079270 1195887534 /nfs/dbraw/zinc/88/75/34/1195887534.db2.gz WMLUDZMZTSFZBR-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644522 1195931620 /nfs/dbraw/zinc/93/16/20/1195931620.db2.gz KVMNCIRTLMYZJA-XYPHTWIQSA-N 2 0 371.441 0.026 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)C1)N1CC[NH2+]CC1 ZINC000911705148 1196308923 /nfs/dbraw/zinc/30/89/23/1196308923.db2.gz KJHUTTWJPITFQG-BSDSXHPESA-N 2 0 362.518 0.825 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083655146 1196349701 /nfs/dbraw/zinc/34/97/01/1196349701.db2.gz ZAOLWDYTFYAULT-PBIMCDDKSA-N 2 0 363.502 0.591 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592560407 1196569081 /nfs/dbraw/zinc/56/90/81/1196569081.db2.gz NHENSYYKDJHGBW-IAGOWNOFSA-N 2 0 374.533 0.961 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592958975 1196600162 /nfs/dbraw/zinc/60/01/62/1196600162.db2.gz BKKRSBLKTAYEME-ZBFHGGJFSA-N 2 0 363.506 0.884 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CC(=O)N1CCC[C@H](C)C1 ZINC001088983770 1196856488 /nfs/dbraw/zinc/85/64/88/1196856488.db2.gz NRXDJJBMXIRDLP-BBWFWOEESA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060976 1196879530 /nfs/dbraw/zinc/87/95/30/1196879530.db2.gz QSVPPMUXAOURMF-OWCLPIDISA-N 2 0 364.490 0.589 20 0 FCADRP COC(=O)c1cnc2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc2c1 ZINC001219182578 1224378473 /nfs/dbraw/zinc/37/84/73/1224378473.db2.gz TYYIKNBOHBDOTI-INIZCTEOSA-N 2 0 371.441 0.710 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cc3cncn3C)C2)CC[N@@H+]1C ZINC000992157287 1196977323 /nfs/dbraw/zinc/97/73/23/1196977323.db2.gz NTWLSVDKBVSEER-YQEWQEHLSA-N 2 0 361.490 0.704 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219193888 1224383263 /nfs/dbraw/zinc/38/32/63/1224383263.db2.gz QHYQWQGITVKWFB-GJZGRUSLSA-N 2 0 372.391 0.629 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106138873 1197231359 /nfs/dbraw/zinc/23/13/59/1197231359.db2.gz HKKVLDXEYKUUBY-DJIMGWMZSA-N 2 0 364.534 0.927 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143177 1197298715 /nfs/dbraw/zinc/29/87/15/1197298715.db2.gz VAOCXGLXTPOHSX-KBAYOESNSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCCO ZINC001106144227 1197308353 /nfs/dbraw/zinc/30/83/53/1197308353.db2.gz WPKKHHPXIOOOHG-OWYHZJEWSA-N 2 0 367.534 0.800 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280793 1224412781 /nfs/dbraw/zinc/41/27/81/1224412781.db2.gz MRFGOADSYUJFBQ-CYBMUJFWSA-N 2 0 366.441 0.269 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)CCC1 ZINC000992950453 1197628922 /nfs/dbraw/zinc/62/89/22/1197628922.db2.gz CWQQJXATMBTGQU-QFBILLFUSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993031672 1197701913 /nfs/dbraw/zinc/70/19/13/1197701913.db2.gz MTILKFPUWMBVFI-WWNBULGVSA-N 2 0 364.534 0.974 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001106247052 1197779840 /nfs/dbraw/zinc/77/98/40/1197779840.db2.gz URWGVPFNBICDJG-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001106249657 1197781431 /nfs/dbraw/zinc/78/14/31/1197781431.db2.gz MHIPUXSMAMCYFI-XWIAVFTESA-N 2 0 362.522 0.919 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC000735591033 1197866417 /nfs/dbraw/zinc/86/64/17/1197866417.db2.gz PTFPTWSYQXRWAK-GOSISDBHSA-N 2 0 373.501 0.833 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735590900 1197867442 /nfs/dbraw/zinc/86/74/42/1197867442.db2.gz OKCBCOYDYDPDJW-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106347158 1197870760 /nfs/dbraw/zinc/87/07/60/1197870760.db2.gz NJGUQRVUGKJXJA-BZUAXINKSA-N 2 0 361.490 0.727 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993157169 1197901131 /nfs/dbraw/zinc/90/11/31/1197901131.db2.gz PUYZTIVUZLQCOA-ABSDTBQOSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993157176 1197901483 /nfs/dbraw/zinc/90/14/83/1197901483.db2.gz PUYZTIVUZLQCOA-FUHIMQAGSA-N 2 0 362.518 0.731 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106412649 1197908120 /nfs/dbraw/zinc/90/81/20/1197908120.db2.gz RRUDUDLKHYARQQ-QLFBSQMISA-N 2 0 370.457 0.700 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2(C(=O)N3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000762217502 1197945093 /nfs/dbraw/zinc/94/50/93/1197945093.db2.gz ARJGTHZKFKSWQJ-IRXDYDNUSA-N 2 0 364.534 0.977 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085606825 1197954647 /nfs/dbraw/zinc/95/46/47/1197954647.db2.gz ZCFAWACWRBNNOL-OWCLPIDISA-N 2 0 364.490 0.398 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1C[NH+]1CCCCC1)C2=O ZINC000738096186 1197989107 /nfs/dbraw/zinc/98/91/07/1197989107.db2.gz IGAGQYXCHKMDKM-INIZCTEOSA-N 2 0 363.506 0.910 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(-c2cc(CO)on2)cc1 ZINC001219419206 1224461169 /nfs/dbraw/zinc/46/11/69/1224461169.db2.gz CXFNCNSBLRIQNC-MRXNPFEDSA-N 2 0 359.430 0.523 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2nnnn2C2CC2)C1 ZINC001086202167 1198250809 /nfs/dbraw/zinc/25/08/09/1198250809.db2.gz KSCCAXKXZRAEPJ-AYRXBEOTSA-N 2 0 370.461 0.530 20 0 FCADRP CCn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)n1 ZINC001086202125 1198251533 /nfs/dbraw/zinc/25/15/33/1198251533.db2.gz IYWHIUKYIPSQBB-OCVGTWLNSA-N 2 0 357.462 0.820 20 0 FCADRP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)n1C ZINC001086202138 1198251985 /nfs/dbraw/zinc/25/19/85/1198251985.db2.gz JICNEEJSFMWXHT-LXTVHRRPSA-N 2 0 371.489 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cncn2C)C1 ZINC001006289153 1198252417 /nfs/dbraw/zinc/25/24/17/1198252417.db2.gz PWUGZWSNSNKKFS-SRABZTEZSA-N 2 0 359.474 0.553 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](OC)CC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503852 1224490573 /nfs/dbraw/zinc/49/05/73/1224490573.db2.gz OBGKAXNYVDCOSN-LLJZQGTPSA-N 2 0 374.441 0.584 20 0 FCADRP COc1c(O)cccc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219518447 1224494943 /nfs/dbraw/zinc/49/49/43/1224494943.db2.gz LCIKGCWZEYDKCI-JSGCOSHPSA-N 2 0 364.446 0.787 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219537752 1224502645 /nfs/dbraw/zinc/50/26/45/1224502645.db2.gz PRLGLPUWBLERFZ-WFGGJUAMSA-N 2 0 360.458 0.951 20 0 FCADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086484154 1198959262 /nfs/dbraw/zinc/95/92/62/1198959262.db2.gz KVDIKPOZEWXKCF-TWPTVVAISA-N 2 0 358.486 0.690 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)nn2)CC1 ZINC001168814996 1199035685 /nfs/dbraw/zinc/03/56/85/1199035685.db2.gz DNWXDNYNWDNFSZ-CYBMUJFWSA-N 2 0 355.446 0.302 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133750 1199048247 /nfs/dbraw/zinc/04/82/47/1199048247.db2.gz JPRWXELMIDAUER-DOADOZAASA-N 2 0 364.534 0.772 20 0 FCADRP CCN1CCC([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001169253915 1199058634 /nfs/dbraw/zinc/05/86/34/1199058634.db2.gz NLEWUHNIOORCAZ-UHFFFAOYSA-N 2 0 365.566 0.641 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705847 1224567235 /nfs/dbraw/zinc/56/72/35/1224567235.db2.gz QLZVNGNUPARVEU-IBGZPJMESA-N 2 0 366.465 0.635 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724128 1224577080 /nfs/dbraw/zinc/57/70/80/1224577080.db2.gz ZEGVGMRJXNZNKT-QZTJIDSGSA-N 3 0 374.529 0.703 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729165 1224581452 /nfs/dbraw/zinc/58/14/52/1224581452.db2.gz PSTXJPINYPGCBP-FHWLQOOXSA-N 4 0 371.529 0.151 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736388 1224584370 /nfs/dbraw/zinc/58/43/70/1224584370.db2.gz CDUJQKLXZSUXKY-JKSUJKDBSA-N 2 0 361.442 0.332 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)N2CCC[NH2+]CC2)cc1 ZINC001219737463 1224585624 /nfs/dbraw/zinc/58/56/24/1224585624.db2.gz WOFZCSJWUUHARM-RBUKOAKNSA-N 2 0 372.513 0.826 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737400 1224585904 /nfs/dbraw/zinc/58/59/04/1224585904.db2.gz VDKWIFPNNGPXLD-RCCFBDPRSA-N 2 0 359.470 0.819 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744074 1224589868 /nfs/dbraw/zinc/58/98/68/1224589868.db2.gz RPZKMFGQDKMOAR-ZBFHGGJFSA-N 2 0 357.458 0.850 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749644 1224594124 /nfs/dbraw/zinc/59/41/24/1224594124.db2.gz PIFFZXXDODPNOK-HNNXBMFYSA-N 2 0 358.446 0.192 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410571 1200251733 /nfs/dbraw/zinc/25/17/33/1200251733.db2.gz KAYYTQHYVMHGGX-OWSLCNJRSA-N 2 0 369.506 0.216 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001109462796 1200303099 /nfs/dbraw/zinc/30/30/99/1200303099.db2.gz QPMGSKCJFBGYDP-QZWWFDLISA-N 2 0 363.506 0.696 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219774961 1224607443 /nfs/dbraw/zinc/60/74/43/1224607443.db2.gz GEUSFSSENBRIKU-YWZLYKJASA-N 2 0 354.454 0.744 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219784964 1224612166 /nfs/dbraw/zinc/61/21/66/1224612166.db2.gz WZIVEAKZSPTQGT-MRXNPFEDSA-N 2 0 370.457 0.652 20 0 FCADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795566 1224615173 /nfs/dbraw/zinc/61/51/73/1224615173.db2.gz CYZDRVJCEGBBDU-INIZCTEOSA-N 3 0 368.522 0.639 20 0 FCADRP [NH3+]C1(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CCC2(CC1)OCCO2 ZINC001219796194 1224616473 /nfs/dbraw/zinc/61/64/73/1224616473.db2.gz QGWFOZAEQQTDSO-UHFFFAOYSA-N 3 0 366.506 0.334 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317727 1200560456 /nfs/dbraw/zinc/56/04/56/1200560456.db2.gz WRSSLIJFAAKSRK-SJORKVTESA-N 2 0 367.538 0.565 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219799860 1224619450 /nfs/dbraw/zinc/61/94/50/1224619450.db2.gz FCXUYBKHVXKUOG-NVXWUHKLSA-N 2 0 362.474 0.501 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219799771 1224619730 /nfs/dbraw/zinc/61/97/30/1224619730.db2.gz CICMTQQVVNVPIN-HUUCEWRRSA-N 2 0 359.474 0.019 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219801453 1224620985 /nfs/dbraw/zinc/62/09/85/1224620985.db2.gz ZVEDGMZRAFYHKE-QGZVFWFLSA-N 2 0 358.486 0.879 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809944 1224628530 /nfs/dbraw/zinc/62/85/30/1224628530.db2.gz XAOCGUJBCCJOMM-AWEZNQCLSA-N 2 0 358.398 0.397 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813684 1224629403 /nfs/dbraw/zinc/62/94/03/1224629403.db2.gz ZHMFDIUXHFJILG-BJLQDIEVSA-N 2 0 358.486 0.203 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219815040 1224630984 /nfs/dbraw/zinc/63/09/84/1224630984.db2.gz RMEFQLFCJLHAJC-WFXMLNOXSA-N 2 0 370.497 0.060 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219815039 1224631424 /nfs/dbraw/zinc/63/14/24/1224631424.db2.gz RMEFQLFCJLHAJC-UEXGIBASSA-N 2 0 370.497 0.060 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)nn1 ZINC001112563878 1200800393 /nfs/dbraw/zinc/80/03/93/1200800393.db2.gz RMMCJPXCUJMQCX-YJBOKZPZSA-N 2 0 364.494 0.112 20 0 FCADRP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001112578189 1200816873 /nfs/dbraw/zinc/81/68/73/1200816873.db2.gz CFWAHTBLOAYBLU-GUXCAODWSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112578936 1200817298 /nfs/dbraw/zinc/81/72/98/1200817298.db2.gz OFSHHNANTPAPFN-LPHOPBHVSA-N 2 0 363.506 0.326 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001112579172 1200818027 /nfs/dbraw/zinc/81/80/27/1200818027.db2.gz ZLAPZHAOSZSNIT-UWVAXJGDSA-N 2 0 362.518 0.683 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000786330042 1200834771 /nfs/dbraw/zinc/83/47/71/1200834771.db2.gz BCRWVKZLKLLAQR-SJORKVTESA-N 2 0 366.506 0.202 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787099518 1200865609 /nfs/dbraw/zinc/86/56/09/1200865609.db2.gz AEJXBRAWYUECEG-KRWDZBQOSA-N 2 0 368.522 0.594 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000787132461 1200866781 /nfs/dbraw/zinc/86/67/81/1200866781.db2.gz ZGIPXDCTLAVHRW-KRWDZBQOSA-N 2 0 366.506 0.347 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129393534 1200926460 /nfs/dbraw/zinc/92/64/60/1200926460.db2.gz NYQNBRFESWJZSX-BBWFWOEESA-N 2 0 366.510 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579115 1201024128 /nfs/dbraw/zinc/02/41/28/1201024128.db2.gz NATMDSFDNAMUOC-IPMKNSEASA-N 2 0 368.485 0.957 20 0 FCADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837758 1224647558 /nfs/dbraw/zinc/64/75/58/1224647558.db2.gz LQXDJKXNVRCAIT-CMKODMSKSA-N 2 0 361.486 0.848 20 0 FCADRP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000790273229 1201064409 /nfs/dbraw/zinc/06/44/09/1201064409.db2.gz CRKGYZBQSSBUTR-OWCLPIDISA-N 2 0 359.474 0.869 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219848090 1224652634 /nfs/dbraw/zinc/65/26/34/1224652634.db2.gz WHPQQBKPXMJHLV-QRWLVFNGSA-N 2 0 359.470 0.500 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219847922 1224652975 /nfs/dbraw/zinc/65/29/75/1224652975.db2.gz TXXKSFFXLSTXOG-WNRNVDISSA-N 2 0 357.454 0.972 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847524 1224653051 /nfs/dbraw/zinc/65/30/51/1224653051.db2.gz JXCQNBIAABZMQK-DOADOZAASA-N 2 0 358.486 0.486 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850024 1224654144 /nfs/dbraw/zinc/65/41/44/1224654144.db2.gz LOMCAMPMDDUNCE-WNRNVDISSA-N 2 0 360.502 0.623 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncnc2)[C@H](O)OC(C)(C)C)C1 ZINC001170393025 1201208660 /nfs/dbraw/zinc/20/86/60/1201208660.db2.gz JEDTXROBPNHPEK-ZZTPXLKCSA-N 2 0 367.494 0.750 20 0 FCADRP Cn1c[nH+]cc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392982 1201208878 /nfs/dbraw/zinc/20/88/78/1201208878.db2.gz JAULBTBDFSTCDI-CUINURIISA-N 3 0 369.510 0.694 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000793715094 1201254570 /nfs/dbraw/zinc/25/45/70/1201254570.db2.gz WPCHGJVPPWARKL-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412398 1201301017 /nfs/dbraw/zinc/30/10/17/1201301017.db2.gz QBQQOMFHAWLPRQ-BMFZPTHFSA-N 2 0 363.441 0.734 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453607 1201312112 /nfs/dbraw/zinc/31/21/12/1201312112.db2.gz FDYZPLWHFYZHRH-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433944 1201315560 /nfs/dbraw/zinc/31/55/60/1201315560.db2.gz ZQQIXMTYBIHDRE-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219877854 1224668547 /nfs/dbraw/zinc/66/85/47/1224668547.db2.gz SUFAJLBZRROEHE-BBWFWOEESA-N 2 0 369.506 0.075 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877892 1224668948 /nfs/dbraw/zinc/66/89/48/1224668948.db2.gz UMDOXAXUAVCEOR-SJORKVTESA-N 2 0 371.522 0.321 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910073 1201422471 /nfs/dbraw/zinc/42/24/71/1201422471.db2.gz BSQMAFWDCOTBFE-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894922 1201429765 /nfs/dbraw/zinc/42/97/65/1201429765.db2.gz YBDVNEUYYDPTOM-UAGQMJEPSA-N 2 0 364.494 0.265 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129932196 1201435750 /nfs/dbraw/zinc/43/57/50/1201435750.db2.gz QJJZMELAEIZLIX-CVEARBPZSA-N 2 0 357.393 0.941 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129924556 1201443569 /nfs/dbraw/zinc/44/35/69/1201443569.db2.gz BHCXFEKDUOAMRE-XHSDSOJGSA-N 2 0 364.469 0.996 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129925032 1201444301 /nfs/dbraw/zinc/44/43/01/1201444301.db2.gz QFCDXNSXISJACE-XKQJLSEDSA-N 2 0 369.429 0.616 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001129991995 1201470240 /nfs/dbraw/zinc/47/02/40/1201470240.db2.gz GWLNUZYSBLPROF-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012082 1201471111 /nfs/dbraw/zinc/47/11/11/1201471111.db2.gz NPSAIZDJXRAMNX-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075673 1201495273 /nfs/dbraw/zinc/49/52/73/1201495273.db2.gz ZSFKEYNUEXMZMF-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091491 1201497851 /nfs/dbraw/zinc/49/78/51/1201497851.db2.gz WSXWOTCMIOERIG-CVEARBPZSA-N 2 0 362.478 0.142 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091318 1201498101 /nfs/dbraw/zinc/49/81/01/1201498101.db2.gz LQIMCKIKVJUUFY-CVEARBPZSA-N 2 0 362.478 0.142 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130096785 1201499073 /nfs/dbraw/zinc/49/90/73/1201499073.db2.gz QODUDRFRZOPIHO-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123263 1201511057 /nfs/dbraw/zinc/51/10/57/1201511057.db2.gz LOHMTIJOEFULHM-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130304968 1201581298 /nfs/dbraw/zinc/58/12/98/1201581298.db2.gz GZPHXOJJIAOIIG-GMBSWORKSA-N 2 0 368.522 0.184 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001219959465 1224701176 /nfs/dbraw/zinc/70/11/76/1224701176.db2.gz WFAAOKWVNMIZHC-SFHVURJKSA-N 2 0 356.474 0.358 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2nonc2c1 ZINC001219965581 1224704342 /nfs/dbraw/zinc/70/43/42/1224704342.db2.gz SOIQKLYEVSMGMX-BBRMVZONSA-N 2 0 374.445 0.286 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)CC[NH2+]CC1 ZINC001220001646 1224723821 /nfs/dbraw/zinc/72/38/21/1224723821.db2.gz UTPQHHAQZLIPIM-HNNXBMFYSA-N 2 0 356.426 0.516 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130590133 1202725846 /nfs/dbraw/zinc/72/58/46/1202725846.db2.gz ARQGLMIISHRVFH-JQHSSLGASA-N 2 0 363.506 0.559 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130610834 1202729943 /nfs/dbraw/zinc/72/99/43/1202729943.db2.gz SRCZNJJTWSMBEG-HLLBOEOZSA-N 2 0 363.506 0.823 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654812 1202744378 /nfs/dbraw/zinc/74/43/78/1202744378.db2.gz VQFHSKIRYHSYFK-YQQAZPJKSA-N 2 0 363.506 0.681 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130657108 1202748708 /nfs/dbraw/zinc/74/87/08/1202748708.db2.gz ZBISOCCMHNMRCA-SOLBZPMBSA-N 2 0 365.522 0.807 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]C[C@H]2CCOC2)c1 ZINC001130657060 1202748835 /nfs/dbraw/zinc/74/88/35/1202748835.db2.gz XIQLUNGSXNMVPN-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130713006 1202760006 /nfs/dbraw/zinc/76/00/06/1202760006.db2.gz YFGMEEABEUNUDP-YQQAZPJKSA-N 2 0 369.485 0.630 20 0 FCADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n[nH]1 ZINC001130802153 1202803279 /nfs/dbraw/zinc/80/32/79/1202803279.db2.gz FOFHFYTVYMYAJC-LSDHHAIUSA-N 2 0 364.494 0.982 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130816391 1202807332 /nfs/dbraw/zinc/80/73/32/1202807332.db2.gz UOVAYAWVAWNELC-QLFBSQMISA-N 2 0 364.494 0.982 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003326 1202840738 /nfs/dbraw/zinc/84/07/38/1202840738.db2.gz DBFPFUABVWJVCQ-OWCLPIDISA-N 2 0 369.485 0.630 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131003307 1202840751 /nfs/dbraw/zinc/84/07/51/1202840751.db2.gz CMRJABDFPAIYBH-BZUAXINKSA-N 2 0 369.485 0.366 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010335 1202844073 /nfs/dbraw/zinc/84/40/73/1202844073.db2.gz JJUBTLUOEJTHNW-DJIMGWMZSA-N 2 0 363.506 0.823 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062039 1202854190 /nfs/dbraw/zinc/85/41/90/1202854190.db2.gz SOKFQWFKRAQGII-IAGOWNOFSA-N 2 0 365.522 0.928 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131101172 1202863176 /nfs/dbraw/zinc/86/31/76/1202863176.db2.gz QXXZYLPZNQWCKV-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131115724 1202865048 /nfs/dbraw/zinc/86/50/48/1202865048.db2.gz WYYLDXJZFKMWOP-GVDBMIGSSA-N 2 0 365.522 0.807 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131464339 1202900155 /nfs/dbraw/zinc/90/01/55/1202900155.db2.gz NCLVXPTXBZKXMA-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1)[NH+](C)C ZINC001131519378 1202908386 /nfs/dbraw/zinc/90/83/86/1202908386.db2.gz NKWYGROQTNHENY-KURKYZTESA-N 2 0 371.522 0.321 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593073 1202917260 /nfs/dbraw/zinc/91/72/60/1202917260.db2.gz KUYGNZROKQQRDK-SUMDDJOVSA-N 2 0 371.522 0.585 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962807 1202938671 /nfs/dbraw/zinc/93/86/71/1202938671.db2.gz KQXPZZDQTRPOPB-QFBILLFUSA-N 2 0 370.538 0.974 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086694395 1202967294 /nfs/dbraw/zinc/96/72/94/1202967294.db2.gz PXCFYGAEMJESFC-GVDBMIGSSA-N 2 0 365.522 0.759 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001086698663 1202973803 /nfs/dbraw/zinc/97/38/03/1202973803.db2.gz SIADQKZMUOTQFP-ZDRJDWQYSA-N 2 0 366.506 0.093 20 0 FCADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813330471 1202993348 /nfs/dbraw/zinc/99/33/48/1202993348.db2.gz YHBZLRHGEONFAF-CYBMUJFWSA-N 2 0 359.474 0.893 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C[NH+](C)C ZINC000815684238 1203047271 /nfs/dbraw/zinc/04/72/71/1203047271.db2.gz IIAPDVKUEJEHQX-OAHLLOKOSA-N 2 0 361.490 0.691 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086763148 1203084370 /nfs/dbraw/zinc/08/43/70/1203084370.db2.gz UWTVBPLFONZIBH-SFQLRQOASA-N 2 0 371.485 0.714 20 0 FCADRP CCOCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863293 1203101649 /nfs/dbraw/zinc/10/16/49/1203101649.db2.gz VGOMEIVGUKNCIG-GVDBMIGSSA-N 2 0 370.538 0.744 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001170872705 1203108010 /nfs/dbraw/zinc/10/80/10/1203108010.db2.gz YSZLSFSEYKFUJM-QLFBSQMISA-N 2 0 369.510 0.437 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170874163 1203109391 /nfs/dbraw/zinc/10/93/91/1203109391.db2.gz PIZZXQFWPWLSNP-BZUAXINKSA-N 2 0 358.442 0.400 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)cn1 ZINC001086825367 1203151326 /nfs/dbraw/zinc/15/13/26/1203151326.db2.gz GZQVAJBLFHWABV-DOTOQJQBSA-N 2 0 371.489 0.923 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)cn1 ZINC001086825360 1203151398 /nfs/dbraw/zinc/15/13/98/1203151398.db2.gz GVHHXYKJOIRWOQ-LZLYRXPVSA-N 2 0 363.506 0.969 20 0 FCADRP COCC(C)(C)[NH+]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000819894468 1203173145 /nfs/dbraw/zinc/17/31/45/1203173145.db2.gz UIVANVCRZXWTNK-UHFFFAOYSA-N 2 0 367.494 0.003 20 0 FCADRP CCOC(=O)CN(CC[NH3+])c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001170996200 1203236343 /nfs/dbraw/zinc/23/63/43/1203236343.db2.gz LPVYHTVPPIYCFJ-UHFFFAOYSA-N 2 0 363.462 0.888 20 0 FCADRP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C[NH+]1CCCC1 ZINC000822939180 1203241648 /nfs/dbraw/zinc/24/16/48/1203241648.db2.gz IKIQJADPEGNXTB-UHFFFAOYSA-N 2 0 372.469 0.769 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163778 1224793309 /nfs/dbraw/zinc/79/33/09/1224793309.db2.gz VETJJJVYQUCYJX-UWVAXJGDSA-N 2 0 358.486 0.711 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228341 1224809253 /nfs/dbraw/zinc/80/92/53/1224809253.db2.gz JLZFECOOBCPJIV-FXAWDEMLSA-N 3 0 374.485 0.247 20 0 FCADRP COC(=O)[C@]1(NC(=O)C2(N)CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228158 1224809507 /nfs/dbraw/zinc/80/95/07/1224809507.db2.gz BYSJUBLBTLCXSB-IBGZPJMESA-N 2 0 360.458 0.001 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001220228646 1224810096 /nfs/dbraw/zinc/81/00/96/1224810096.db2.gz SCKYCYNNDZOKFB-GJYPPUQNSA-N 2 0 363.433 0.868 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001220228644 1224810527 /nfs/dbraw/zinc/81/05/27/1224810527.db2.gz SCKYCYNNDZOKFB-BXWFABGCSA-N 2 0 363.433 0.868 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220320197 1224826931 /nfs/dbraw/zinc/82/69/31/1224826931.db2.gz LWSLEMNLNXEIOJ-AZUAARDMSA-N 2 0 358.486 0.733 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315861 1224826979 /nfs/dbraw/zinc/82/69/79/1224826979.db2.gz JOCITXYENPPDPZ-MBOZVWFJSA-N 2 0 360.502 0.909 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315372 1224827179 /nfs/dbraw/zinc/82/71/79/1224827179.db2.gz BYYPEPMQIVXQDR-GJYPPUQNSA-N 2 0 361.442 0.475 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001091039219 1204454120 /nfs/dbraw/zinc/45/41/20/1204454120.db2.gz SWLMBTCUJGBAEJ-SSHXOBKSSA-N 2 0 364.490 0.350 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001220347375 1224837498 /nfs/dbraw/zinc/83/74/98/1224837498.db2.gz DHLKJBAXFBUMHC-WMLDXEAASA-N 2 0 355.486 0.892 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354216 1224840313 /nfs/dbraw/zinc/84/03/13/1224840313.db2.gz OXLAGCJZXCPTHJ-HRCADAONSA-N 2 0 363.458 0.660 20 0 FCADRP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC001220352419 1224840342 /nfs/dbraw/zinc/84/03/42/1224840342.db2.gz BAIIAOLXRQABEQ-BRWVUGGUSA-N 2 0 361.442 0.550 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355558 1224841592 /nfs/dbraw/zinc/84/15/92/1224841592.db2.gz UTMZLPBZNSWPBL-QRQLOZEOSA-N 2 0 361.486 0.959 20 0 FCADRP O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357332 1224842730 /nfs/dbraw/zinc/84/27/30/1224842730.db2.gz KJHBANJKHOPUMZ-QAETUUGQSA-N 2 0 361.442 0.285 20 0 FCADRP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543091 1204709303 /nfs/dbraw/zinc/70/93/03/1204709303.db2.gz BRFWTFSJUMGGPJ-OGWOLHLISA-N 2 0 359.474 0.860 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583964 1204798943 /nfs/dbraw/zinc/79/89/43/1204798943.db2.gz ZBSHRNSWQWISQZ-KZNAEPCWSA-N 2 0 367.534 0.894 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387277 1224854015 /nfs/dbraw/zinc/85/40/15/1224854015.db2.gz FWPHOILKWQDEKH-KURKYZTESA-N 2 0 371.522 0.465 20 0 FCADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388002 1224854082 /nfs/dbraw/zinc/85/40/82/1224854082.db2.gz XMWYFEPRBOKFHD-KURKYZTESA-N 2 0 371.522 0.465 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716879 1204831859 /nfs/dbraw/zinc/83/18/59/1204831859.db2.gz XKJKZPYNWFZWJY-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738458 1204837827 /nfs/dbraw/zinc/83/78/27/1204837827.db2.gz YXPUHHZOVMRLES-KPFFTGBYSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001091738296 1204837851 /nfs/dbraw/zinc/83/78/51/1204837851.db2.gz TZJTYLCVSPYTOW-ZTNFWEORSA-N 2 0 362.518 0.728 20 0 FCADRP Cn1nnnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754738 1204843950 /nfs/dbraw/zinc/84/39/50/1204843950.db2.gz YIDNPCLYTBPJCB-RKVPGOIHSA-N 2 0 361.494 0.365 20 0 FCADRP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1C ZINC001086853544 1204852364 /nfs/dbraw/zinc/85/23/64/1204852364.db2.gz GJPQDHALIOITGO-LSDHHAIUSA-N 2 0 360.506 0.848 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086985942 1204880459 /nfs/dbraw/zinc/88/04/59/1204880459.db2.gz MIDINWJJNBKDRW-RCCFBDPRSA-N 2 0 363.506 0.417 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086990460 1204882879 /nfs/dbraw/zinc/88/28/79/1204882879.db2.gz DAEJLHYCMGORLW-BHYGNILZSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001086993877 1204884954 /nfs/dbraw/zinc/88/49/54/1204884954.db2.gz XCSDSKKWSRDTFT-JKSUJKDBSA-N 2 0 361.446 0.265 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087071962 1204960763 /nfs/dbraw/zinc/96/07/63/1204960763.db2.gz MBYOFDHSIFHMCB-OWCLPIDISA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1 ZINC001087058367 1204965549 /nfs/dbraw/zinc/96/55/49/1204965549.db2.gz GHESZPRCVCIESB-DJIMGWMZSA-N 2 0 365.478 0.897 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087089370 1204978106 /nfs/dbraw/zinc/97/81/06/1204978106.db2.gz NDFZEJYCYRWUHB-NVXWUHKLSA-N 2 0 365.478 0.755 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087100733 1204996758 /nfs/dbraw/zinc/99/67/58/1204996758.db2.gz BBXBVEDFIZQHQA-JFIYKMOQSA-N 2 0 363.506 0.633 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087101097 1204997473 /nfs/dbraw/zinc/99/74/73/1204997473.db2.gz SSOBNTCWVGSMHA-NVXWUHKLSA-N 2 0 364.494 0.347 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087100434 1204997722 /nfs/dbraw/zinc/99/77/22/1204997722.db2.gz SGJBRQTYORRPTO-GVDBMIGSSA-N 2 0 361.490 0.690 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787169 1205012820 /nfs/dbraw/zinc/01/28/20/1205012820.db2.gz TWMGHECZIQIADX-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)n(-c2ccccc2)c1=O ZINC001220415635 1224864314 /nfs/dbraw/zinc/86/43/14/1224864314.db2.gz QYPQJTYSCWHTIR-HNNXBMFYSA-N 2 0 373.457 0.534 20 0 FCADRP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001091819027 1205042138 /nfs/dbraw/zinc/04/21/38/1205042138.db2.gz NHJQMPCSNYCPJX-MDZRGWNJSA-N 2 0 360.502 0.674 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001220429544 1224869458 /nfs/dbraw/zinc/86/94/58/1224869458.db2.gz UMDJIKBYUPKYDA-MJQMVNBJSA-N 2 0 356.470 0.573 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@@H]2COCC[NH2+]2)c2cc3ccccc3[nH]2)C1 ZINC001220431472 1224870156 /nfs/dbraw/zinc/87/01/56/1224870156.db2.gz HNUGFLHGOIIWJG-MDZRGWNJSA-N 2 0 371.485 0.737 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145226 1205171164 /nfs/dbraw/zinc/17/11/64/1205171164.db2.gz ISMHCAXRDLRUKK-ALKREAHSSA-N 2 0 366.506 0.141 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092157535 1205174585 /nfs/dbraw/zinc/17/45/85/1205174585.db2.gz CXUSUYDFXIJZDF-HLIPFELVSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2 ZINC001092275519 1205221719 /nfs/dbraw/zinc/22/17/19/1205221719.db2.gz GTEYFWIMZNBDQK-UZLBHIALSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]([NH3+])CCC[NH3+])nc3ccc(C)cc3n12 ZINC001220456381 1224878933 /nfs/dbraw/zinc/87/89/33/1224878933.db2.gz MTPQWMQTIVHYKH-CQSZACIVSA-N 3 0 369.473 0.857 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3C[NH2+]CCN3)nc3ccc(C)cc3n12 ZINC001220456516 1224879164 /nfs/dbraw/zinc/87/91/64/1224879164.db2.gz RMOLLFXLQKOWCH-OAHLLOKOSA-N 2 0 367.457 0.352 20 0 FCADRP CCn1c(C)nnc1CN1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092523035 1205302232 /nfs/dbraw/zinc/30/22/32/1205302232.db2.gz YMWMWAUNVFRABE-BMFZPTHFSA-N 2 0 364.494 0.121 20 0 FCADRP NC(=[NH2+])N(C(=O)CNC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460168 1224880498 /nfs/dbraw/zinc/88/04/98/1224880498.db2.gz CBSXSYSHPWIJMR-UHFFFAOYSA-N 2 0 360.462 0.091 20 0 FCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611468 1205323874 /nfs/dbraw/zinc/32/38/74/1205323874.db2.gz XFMJOWNMSQPFGH-LZQZEXGQSA-N 2 0 359.518 0.989 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)O1 ZINC001220481353 1224887864 /nfs/dbraw/zinc/88/78/64/1224887864.db2.gz DUEIYYHRKFIHQU-MMTROXRISA-N 2 0 372.469 0.946 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481298 1224888022 /nfs/dbraw/zinc/88/80/22/1224888022.db2.gz CNPZGWFCYAUOSM-CFAJVAMVSA-N 2 0 373.494 0.667 20 0 FCADRP [NH3+]C1(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC001220496355 1224891950 /nfs/dbraw/zinc/89/19/50/1224891950.db2.gz BBNHMURARLSHMB-IRXDYDNUSA-N 2 0 358.486 0.854 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001220517468 1224900634 /nfs/dbraw/zinc/90/06/34/1224900634.db2.gz MRUBWKLDQGMVQZ-INIZCTEOSA-N 2 0 364.490 0.518 20 0 FCADRP COc1ccc(C2(C(=O)NCCOCCOCC[NH3+])CC[NH2+]CC2)cc1 ZINC001220519104 1224901332 /nfs/dbraw/zinc/90/13/32/1224901332.db2.gz BFBULPXGQXVYJD-UHFFFAOYSA-N 2 0 365.474 0.425 20 0 FCADRP [NH3+]CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C12CC3CC(CC(C3)C1)C2 ZINC001220538514 1224913826 /nfs/dbraw/zinc/91/38/26/1224913826.db2.gz RHVKRMZZZDIFAR-ZVQXUQNISA-N 3 0 363.550 0.493 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854306 1205935851 /nfs/dbraw/zinc/93/58/51/1205935851.db2.gz FCWYZINHQSLTSB-BFYDXBDKSA-N 2 0 360.502 0.962 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911535 1205940792 /nfs/dbraw/zinc/94/07/92/1205940792.db2.gz SUOXYSNLFXLJAR-KBAYOESNSA-N 2 0 363.506 0.713 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918717 1205943971 /nfs/dbraw/zinc/94/39/71/1205943971.db2.gz NCRLTQPZQZIFLP-FVQBIDKESA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918407 1205944059 /nfs/dbraw/zinc/94/40/59/1205944059.db2.gz GWVOLLYWFYVHDZ-GDBMZVCRSA-N 2 0 362.474 0.871 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056903 1206003513 /nfs/dbraw/zinc/00/35/13/1206003513.db2.gz VAYVALGFEUAGEB-OLMNPRSZSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132814 1206032331 /nfs/dbraw/zinc/03/23/31/1206032331.db2.gz AKHQCZWNUOZVJZ-HZPDHXFCSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195346 1206052415 /nfs/dbraw/zinc/05/24/15/1206052415.db2.gz NOHFJWDXPMVGIH-FHLIZLRMSA-N 2 0 358.486 0.921 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224897 1206062757 /nfs/dbraw/zinc/06/27/57/1206062757.db2.gz GAIFLPPVCPXJQX-KYJSFNMBSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093282244 1206072030 /nfs/dbraw/zinc/07/20/30/1206072030.db2.gz WCWJOCSFOBOEFU-ZACQAIPSSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093282239 1206072036 /nfs/dbraw/zinc/07/20/36/1206072036.db2.gz WCWJOCSFOBOEFU-BRWVUGGUSA-N 2 0 362.518 0.825 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465516 1206084671 /nfs/dbraw/zinc/08/46/71/1206084671.db2.gz KBRDIMVBKJQLEJ-ZTRFORPCSA-N 2 0 367.534 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093778503 1206122857 /nfs/dbraw/zinc/12/28/57/1206122857.db2.gz VCOLDJDTTJZYIY-ZIAGYGMSSA-N 2 0 361.450 0.326 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093856841 1206133109 /nfs/dbraw/zinc/13/31/09/1206133109.db2.gz HPPZJCULZUVRNX-HZPDHXFCSA-N 2 0 360.506 0.875 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817052 1206134670 /nfs/dbraw/zinc/13/46/70/1206134670.db2.gz YTJYKMDCPHLQQS-BRWVUGGUSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093892633 1206140156 /nfs/dbraw/zinc/14/01/56/1206140156.db2.gz UYIXBCVLCNFOLY-UNEWFSDZSA-N 2 0 355.442 0.863 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093893920 1206152173 /nfs/dbraw/zinc/15/21/73/1206152173.db2.gz BTWYGUFSYRCMAY-FRFSOERESA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093942593 1206155913 /nfs/dbraw/zinc/15/59/13/1206155913.db2.gz UWPODZDKUVBLNP-KYJSFNMBSA-N 2 0 360.506 0.874 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093987705 1206164893 /nfs/dbraw/zinc/16/48/93/1206164893.db2.gz VAMYFEKJFFNKNH-OWCLPIDISA-N 2 0 363.510 0.516 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093998239 1206166940 /nfs/dbraw/zinc/16/69/40/1206166940.db2.gz KUJQLGXZRDITDA-UKRRQHHQSA-N 2 0 360.462 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001094014147 1206169420 /nfs/dbraw/zinc/16/94/20/1206169420.db2.gz WLJABZDXBILTOX-DJIMGWMZSA-N 2 0 360.506 0.791 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)n1C ZINC001094042374 1206174237 /nfs/dbraw/zinc/17/42/37/1206174237.db2.gz STFDPXZXGAEFBG-ARFHVFGLSA-N 2 0 362.522 0.903 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094044020 1206175241 /nfs/dbraw/zinc/17/52/41/1206175241.db2.gz IZPBCJJVSNPEPI-ZIAGYGMSSA-N 2 0 364.494 0.024 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001094220856 1206203230 /nfs/dbraw/zinc/20/32/30/1206203230.db2.gz ZLXXLNNWNYPKMZ-QLFBSQMISA-N 2 0 365.478 0.394 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC001094224596 1206211215 /nfs/dbraw/zinc/21/12/15/1206211215.db2.gz SSNHWRTZRWKYSZ-SOLBZPMBSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC001094224595 1206211257 /nfs/dbraw/zinc/21/12/57/1206211257.db2.gz SSNHWRTZRWKYSZ-JFIYKMOQSA-N 2 0 363.506 0.573 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCC4CC4)C3)C2)CC[N@@H+]1C ZINC001094741099 1206245548 /nfs/dbraw/zinc/24/55/48/1206245548.db2.gz YEOHQZPNVYTLAR-RYQLBKOJSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(C3=NO[C@H]4C[NH2+]C[C@H]34)n2)CC1 ZINC001212630097 1206252117 /nfs/dbraw/zinc/25/21/17/1206252117.db2.gz RZHVJZOFRBCIHH-ZFWWWQNUSA-N 2 0 354.414 0.811 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc(C3=NO[C@H]4C[NH2+]C[C@@H]34)n2)CC1 ZINC001212630095 1206252278 /nfs/dbraw/zinc/25/22/78/1206252278.db2.gz RZHVJZOFRBCIHH-HIFRSBDPSA-N 2 0 354.414 0.811 20 0 FCADRP [NH3+]CCN(CC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)N(O)N=O ZINC001172999623 1206265019 /nfs/dbraw/zinc/26/50/19/1206265019.db2.gz RSSAJLWUNDOKEK-UHFFFAOYSA-N 2 0 368.413 0.568 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C[C@@H]1C(=O)OC ZINC001173570700 1206280848 /nfs/dbraw/zinc/28/08/48/1206280848.db2.gz VQZCRSKGXIMVIU-YQLLOFTFSA-N 2 0 368.474 0.960 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173575723 1206282158 /nfs/dbraw/zinc/28/21/58/1206282158.db2.gz FZZCVIYKGQLTPK-ZOFXXKQRSA-N 2 0 367.490 0.437 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178521808 1206358684 /nfs/dbraw/zinc/35/86/84/1206358684.db2.gz FHUSRBKRZYHEDY-RRFJBIMHSA-N 2 0 369.510 0.437 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220583365 1224950405 /nfs/dbraw/zinc/95/04/05/1224950405.db2.gz VYJAGASHCIQNFF-OTWHNJEPSA-N 2 0 363.502 0.747 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)CC1 ZINC001182030760 1206418790 /nfs/dbraw/zinc/41/87/90/1206418790.db2.gz GTKOJCZXOZCYBH-UHFFFAOYSA-N 2 0 372.429 0.100 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684565 1206442129 /nfs/dbraw/zinc/44/21/29/1206442129.db2.gz RHWJLXSBRXISJS-RBSFLKMASA-N 2 0 362.478 0.496 20 0 FCADRP CN1CCN(C)[C@@H](C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)C1 ZINC001185252190 1206477396 /nfs/dbraw/zinc/47/73/96/1206477396.db2.gz RUFWPHORLNPPHQ-MRXNPFEDSA-N 2 0 357.458 0.089 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001186353629 1206495905 /nfs/dbraw/zinc/49/59/05/1206495905.db2.gz LKHXQYVTSPZLNZ-LUKYLMHMSA-N 2 0 359.474 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186381772 1206496770 /nfs/dbraw/zinc/49/67/70/1206496770.db2.gz MFDBSEZCOWKBGO-OKZBNKHCSA-N 2 0 367.534 0.944 20 0 FCADRP C[NH+]1CCN(c2ccccc2C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001186905992 1206510270 /nfs/dbraw/zinc/51/02/70/1206510270.db2.gz TXPFZEWNFYFYPI-UHFFFAOYSA-N 2 0 359.518 0.806 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220643212 1224981979 /nfs/dbraw/zinc/98/19/79/1224981979.db2.gz VNXQVYQOBLEVAJ-JQHSSLGASA-N 2 0 369.506 0.075 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654570 1224994943 /nfs/dbraw/zinc/99/49/43/1224994943.db2.gz YTHYHKGPJQEKPW-KRWDZBQOSA-N 2 0 361.490 0.346 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001188388462 1207448769 /nfs/dbraw/zinc/44/87/69/1207448769.db2.gz POAXBHCUROUUSQ-ZMSDIMECSA-N 2 0 359.474 0.457 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433301 1207549955 /nfs/dbraw/zinc/54/99/55/1207549955.db2.gz MVNJLZSBJXROSC-YESZJQIVSA-N 2 0 359.474 0.735 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001189786636 1207600142 /nfs/dbraw/zinc/60/01/42/1207600142.db2.gz GUTHSCXRJWAFBF-HLLBOEOZSA-N 2 0 361.490 0.751 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820199 1207606384 /nfs/dbraw/zinc/60/63/84/1207606384.db2.gz VVNFATPQXRHLHK-OKZBNKHCSA-N 2 0 371.522 0.131 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871023 1207613712 /nfs/dbraw/zinc/61/37/12/1207613712.db2.gz IDYLZHTUUAVZHA-ZWKOTPCHSA-N 2 0 368.522 0.404 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2ocnc2c1 ZINC001220679200 1225008120 /nfs/dbraw/zinc/00/81/20/1225008120.db2.gz VUJHMHWENJQSRS-HOCLYGCPSA-N 2 0 373.457 0.891 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189913711 1207619536 /nfs/dbraw/zinc/61/95/36/1207619536.db2.gz XGVNKZRWLRBHSJ-OKZBNKHCSA-N 2 0 363.506 0.509 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)CC3)C2 ZINC001273589818 1207621948 /nfs/dbraw/zinc/62/19/48/1207621948.db2.gz RJSDXPARRFCHQY-LJQANCHMSA-N 2 0 362.518 0.875 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220680743 1225009745 /nfs/dbraw/zinc/00/97/45/1225009745.db2.gz PLGPNXJTXYPDCU-MQQVNCDESA-N 2 0 354.454 0.885 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC2(CN(C(=O)C[N@@H+](C)CC)C2)O1 ZINC001273666965 1207896342 /nfs/dbraw/zinc/89/63/42/1207896342.db2.gz XYXUCEZVJAWERO-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194604022 1207964900 /nfs/dbraw/zinc/96/49/00/1207964900.db2.gz PCGUYRYBJMXJRZ-KBRIMQKVSA-N 2 0 359.430 0.203 20 0 FCADRP C[C@H](C(=O)N(C)c1ccccc1)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871951 1208044903 /nfs/dbraw/zinc/04/49/03/1208044903.db2.gz UDWBLFWKFGNLNE-DJIMGWMZSA-N 2 0 362.474 0.151 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@H]1O ZINC001197000827 1208127602 /nfs/dbraw/zinc/12/76/02/1208127602.db2.gz LWDJPFMWMOUDED-IAGOWNOFSA-N 2 0 370.538 0.528 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000268 1208127780 /nfs/dbraw/zinc/12/77/80/1208127780.db2.gz ASLXUZQLJQXGGT-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O)C(C)C ZINC001197025449 1208133349 /nfs/dbraw/zinc/13/33/49/1208133349.db2.gz PCYWMAJTXQWASJ-BFYDXBDKSA-N 2 0 370.538 0.429 20 0 FCADRP C[N@@H+]1CCCN(Cc2cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2)CC1 ZINC001197508450 1208169121 /nfs/dbraw/zinc/16/91/21/1208169121.db2.gz DPNWXIOUYBGACG-UHFFFAOYSA-N 3 0 360.506 0.899 20 0 FCADRP CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826476 1208201761 /nfs/dbraw/zinc/20/17/61/1208201761.db2.gz YQNCFNZZVARZQD-RTBURBONSA-N 2 0 363.502 0.879 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001197949389 1208208351 /nfs/dbraw/zinc/20/83/51/1208208351.db2.gz RAMJDVMARNFYQZ-IPMKNSEASA-N 2 0 363.502 0.483 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197997259 1208212359 /nfs/dbraw/zinc/21/23/59/1208212359.db2.gz WGDSXDWHROFKIW-IAGOWNOFSA-N 2 0 362.474 0.179 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)NC2CN(C3COC3)C2)cc1 ZINC001198041412 1208217233 /nfs/dbraw/zinc/21/72/33/1208217233.db2.gz DUPVXZTWXUUVLK-UHFFFAOYSA-N 2 0 360.502 0.883 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001273854503 1208433393 /nfs/dbraw/zinc/43/33/93/1208433393.db2.gz BCKISNXERQNANG-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001488409084 1208509266 /nfs/dbraw/zinc/50/92/66/1208509266.db2.gz JHFGOEQFRACRGA-BZUAXINKSA-N 2 0 370.538 0.240 20 0 FCADRP [NH3+]C1(C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)CCC2(CC1)OCCO2 ZINC001220789015 1225074043 /nfs/dbraw/zinc/07/40/43/1225074043.db2.gz IJGWJODLTOWWOQ-JKSUJKDBSA-N 2 0 360.458 0.863 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220788857 1225073883 /nfs/dbraw/zinc/07/38/83/1225073883.db2.gz GUSBDEGTGTWXJV-OTWHNJEPSA-N 2 0 357.502 0.922 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C[NH2+]C1 ZINC001220827596 1225091907 /nfs/dbraw/zinc/09/19/07/1225091907.db2.gz UPZDRGWTRNCNAW-IRXDYDNUSA-N 2 0 359.426 0.158 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H](NCc2ccccc2)C(C)(C)[NH3+])C[NH2+]C1 ZINC001220826837 1225092559 /nfs/dbraw/zinc/09/25/59/1225092559.db2.gz ARFJIZWZLVQVLY-INIZCTEOSA-N 2 0 360.458 0.419 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])Cc2cn(C=O)c3ccccc23)C[NH2+]C1 ZINC001220827603 1225092795 /nfs/dbraw/zinc/09/27/95/1225092795.db2.gz UXSROCIHUGSXCX-OAHLLOKOSA-N 2 0 370.409 0.086 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1OC)[NH+](C)C ZINC001489546700 1208910426 /nfs/dbraw/zinc/91/04/26/1208910426.db2.gz RIUNLQSMYZRRLE-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP COC(=O)[C@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840540 1225101760 /nfs/dbraw/zinc/10/17/60/1225101760.db2.gz PCPWOBZLDXNJJL-CABCVRRESA-N 2 0 362.430 0.616 20 0 FCADRP CCOC(=O)C1(NC(=O)CC2(c3ccccc3F)CC[NH2+]CC2)C[NH2+]C1 ZINC001220851260 1225108107 /nfs/dbraw/zinc/10/81/07/1225108107.db2.gz NZNCSDDHURBQFM-UHFFFAOYSA-N 2 0 363.433 0.858 20 0 FCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220859936 1225111557 /nfs/dbraw/zinc/11/15/57/1225111557.db2.gz UAZKVAMMSBEVMZ-HOTGVXAUSA-N 2 0 359.474 0.644 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC001220903566 1225131557 /nfs/dbraw/zinc/13/15/57/1225131557.db2.gz WQRVYGNKEMKUAH-QGZVFWFLSA-N 2 0 358.486 0.652 20 0 FCADRP [NH3+]CCn1cc(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)nn1 ZINC000851630535 1209507653 /nfs/dbraw/zinc/50/76/53/1209507653.db2.gz JJZWSROTUDCMAD-UHFFFAOYSA-N 2 0 358.402 0.398 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000852749367 1209562541 /nfs/dbraw/zinc/56/25/41/1209562541.db2.gz LIUIULDLRUREOP-BBWFWOEESA-N 2 0 366.506 0.997 20 0 FCADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852878520 1209572613 /nfs/dbraw/zinc/57/26/13/1209572613.db2.gz PNHGUAMTFFSMJC-CYBMUJFWSA-N 2 0 371.445 0.534 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000852921353 1209577805 /nfs/dbraw/zinc/57/78/05/1209577805.db2.gz HURCRMITEROMHQ-RTBURBONSA-N 2 0 372.513 0.959 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853339161 1209590074 /nfs/dbraw/zinc/59/00/74/1209590074.db2.gz ITGKHOORSUBJIH-LJQANCHMSA-N 2 0 359.474 0.635 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941779 1225149683 /nfs/dbraw/zinc/14/96/83/1225149683.db2.gz YNPQDLLDOJXCSI-WSMBLCCSSA-N 2 0 362.478 0.569 20 0 FCADRP O=C(NCC1CCN(c2cnccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220932262 1225147328 /nfs/dbraw/zinc/14/73/28/1225147328.db2.gz JNMDGEMGYQAEAR-INIZCTEOSA-N 2 0 358.490 0.683 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110714709 1209734113 /nfs/dbraw/zinc/73/41/13/1209734113.db2.gz CNZQZZSSNKZQLU-ZACQAIPSSA-N 2 0 369.506 0.075 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746249 1209789215 /nfs/dbraw/zinc/78/92/15/1209789215.db2.gz BXCWYULNJBLUQI-TVFCKZIOSA-N 2 0 362.474 0.637 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000861771025 1209881269 /nfs/dbraw/zinc/88/12/69/1209881269.db2.gz SNICMKLAXOVBBU-CQSZACIVSA-N 2 0 362.474 0.065 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861773989 1209881663 /nfs/dbraw/zinc/88/16/63/1209881663.db2.gz UGEBFNZDNMLESF-PBHICJAKSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861913108 1209888462 /nfs/dbraw/zinc/88/84/62/1209888462.db2.gz ZGNNKACNWVMNNM-IJZDQVLDSA-N 2 0 362.518 0.295 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986100 1225174941 /nfs/dbraw/zinc/17/49/41/1225174941.db2.gz SCCFKHDAFDUSEW-QRQLOZEOSA-N 2 0 361.486 0.625 20 0 FCADRP O=C(/C=C\CN1CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070163 1209970270 /nfs/dbraw/zinc/97/02/70/1209970270.db2.gz QDUHOYIJOXBLGM-IWQZZHSRSA-N 2 0 373.501 0.598 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218091 1210044264 /nfs/dbraw/zinc/04/42/64/1210044264.db2.gz ZKGKYQOSIXCNFY-ZWKOTPCHSA-N 2 0 374.489 0.210 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc([C@H](N)C[NH3+])cc2)CC1 ZINC001221006995 1225183130 /nfs/dbraw/zinc/18/31/30/1225183130.db2.gz QZWRPDBUTMSOSA-BRWVUGGUSA-N 2 0 361.490 0.364 20 0 FCADRP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000868453499 1210066165 /nfs/dbraw/zinc/06/61/65/1210066165.db2.gz VMJPFRVQVAXBRS-OEXSFMSHSA-N 2 0 366.481 0.145 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221010184 1225184806 /nfs/dbraw/zinc/18/48/06/1225184806.db2.gz AXTRPZMCCCCBCQ-ZWKOTPCHSA-N 2 0 372.513 0.734 20 0 FCADRP [NH3+][C@H]1CC[C@H](C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000870876748 1210120899 /nfs/dbraw/zinc/12/08/99/1210120899.db2.gz XPGHNFXJTFOMHG-WKILWMFISA-N 2 0 359.474 0.754 20 0 FCADRP O=C(CC[NH2+]CC1CC1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000870876974 1210121158 /nfs/dbraw/zinc/12/11/58/1210121158.db2.gz WTNSAYCAYDJQGK-UHFFFAOYSA-N 2 0 358.486 0.837 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1)[NH+](C)C ZINC000871461179 1210155921 /nfs/dbraw/zinc/15/59/21/1210155921.db2.gz GVFZFWXYYBDTNP-ZACQAIPSSA-N 2 0 370.538 0.502 20 0 FCADRP C[NH+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000871463557 1210156912 /nfs/dbraw/zinc/15/69/12/1210156912.db2.gz IIHJZTFVFUGVLT-GVDBMIGSSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000871464490 1210157518 /nfs/dbraw/zinc/15/75/18/1210157518.db2.gz OBMYOLFLUPCEGE-NQNKBUKLSA-N 2 0 366.506 0.010 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C(=O)OC(C)(C)C ZINC001276818514 1225193021 /nfs/dbraw/zinc/19/30/21/1225193021.db2.gz OEZJFVAFXXSRJR-KXBFYZLASA-N 2 0 369.506 0.708 20 0 FCADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000873248524 1210239828 /nfs/dbraw/zinc/23/98/28/1210239828.db2.gz FYRFYICAWREOJZ-FGTMMUONSA-N 2 0 372.469 0.985 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC12CCC2 ZINC000875159432 1210344568 /nfs/dbraw/zinc/34/45/68/1210344568.db2.gz JWGKCMYSQDFMRW-KRWDZBQOSA-N 2 0 371.485 0.769 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000876881307 1210432522 /nfs/dbraw/zinc/43/25/22/1210432522.db2.gz XIBQNEGISYXLIO-QGZVFWFLSA-N 2 0 362.522 0.826 20 0 FCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981599 1210436032 /nfs/dbraw/zinc/43/60/32/1210436032.db2.gz WPEXTOYJNVNOTN-IJEWVQPXSA-N 2 0 360.506 0.899 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089665 1225216059 /nfs/dbraw/zinc/21/60/59/1225216059.db2.gz LLKFORBJACJEEY-KURKYZTESA-N 2 0 367.465 0.231 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]3C[NH2+]C[C@@H]3OC(C)=O)CC[NH2+]CC2)c1 ZINC001221096475 1225222245 /nfs/dbraw/zinc/22/22/45/1225222245.db2.gz VMAHTGGUXIOGJH-SJORKVTESA-N 2 0 361.442 0.541 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000888887437 1210593932 /nfs/dbraw/zinc/59/39/32/1210593932.db2.gz NXIFIGLLYXXQKV-HOTGVXAUSA-N 2 0 369.510 0.249 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000882636183 1210632756 /nfs/dbraw/zinc/63/27/56/1210632756.db2.gz PFNCVBCIOYKJBO-SFHVURJKSA-N 2 0 364.534 0.774 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)NCC2(c3ccccn3)CC[NH2+]CC2)C1=O ZINC001221114195 1225227038 /nfs/dbraw/zinc/22/70/38/1225227038.db2.gz QNDYHOVZERQAGT-HNNXBMFYSA-N 2 0 359.474 0.159 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001221113909 1225227183 /nfs/dbraw/zinc/22/71/83/1225227183.db2.gz GAJYKMWOCAIIOE-MRXNPFEDSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001221114277 1225227281 /nfs/dbraw/zinc/22/72/81/1225227281.db2.gz UAWFIODZZCLWFI-YLJYHZDGSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001221121775 1225228970 /nfs/dbraw/zinc/22/89/70/1225228970.db2.gz RDBMONQKBKRLLM-KRWDZBQOSA-N 3 0 373.501 0.229 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883347003 1210663629 /nfs/dbraw/zinc/66/36/29/1210663629.db2.gz KHBLYPSLWYBIEZ-DLBZAZTESA-N 2 0 360.506 0.938 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000883604052 1210673161 /nfs/dbraw/zinc/67/31/61/1210673161.db2.gz LHAVKOHAQMGCIT-QGZVFWFLSA-N 2 0 357.458 0.341 20 0 FCADRP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883605489 1210673757 /nfs/dbraw/zinc/67/37/57/1210673757.db2.gz VMISLHJYILCZCY-MRXNPFEDSA-N 2 0 359.474 0.763 20 0 FCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883608726 1210674507 /nfs/dbraw/zinc/67/45/07/1210674507.db2.gz GEAQCPJIKIUBIV-GRDNDAEWSA-N 2 0 359.474 0.761 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883607138 1210674520 /nfs/dbraw/zinc/67/45/20/1210674520.db2.gz MDIPDGXYDBQWAO-QGZVFWFLSA-N 2 0 357.458 0.245 20 0 FCADRP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000883639168 1210677264 /nfs/dbraw/zinc/67/72/64/1210677264.db2.gz HWUIOFKLPGINBD-DOTOQJQBSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[C@@H]1C[NH3+] ZINC000883640424 1210677900 /nfs/dbraw/zinc/67/79/00/1210677900.db2.gz PIKNQSUBEONGMY-HLLBOEOZSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883643159 1210678302 /nfs/dbraw/zinc/67/83/02/1210678302.db2.gz FNZUTAGPZBKAOL-INMHGKMJSA-N 2 0 357.458 0.329 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000883641366 1210678377 /nfs/dbraw/zinc/67/83/77/1210678377.db2.gz NCNKPTFTGQKVBY-OAHLLOKOSA-N 2 0 359.474 0.706 20 0 FCADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884022109 1210709959 /nfs/dbraw/zinc/70/99/59/1210709959.db2.gz XAZAXFFBMXACHX-UHFFFAOYSA-N 2 0 367.457 0.548 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884432573 1210735655 /nfs/dbraw/zinc/73/56/55/1210735655.db2.gz ISRPCFABKJHSDJ-ZWKOTPCHSA-N 2 0 351.454 0.977 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884488744 1210738210 /nfs/dbraw/zinc/73/82/10/1210738210.db2.gz FQEWESYBJPLADR-KSZLIROESA-N 2 0 356.470 0.730 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000884496056 1210739361 /nfs/dbraw/zinc/73/93/61/1210739361.db2.gz LDSVTDWOMBSXIN-NJAFHUGGSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000884516304 1210743025 /nfs/dbraw/zinc/74/30/25/1210743025.db2.gz HIVIQKWLPDENBP-RDJZCZTQSA-N 2 0 358.486 0.758 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516406 1210743214 /nfs/dbraw/zinc/74/32/14/1210743214.db2.gz JXWXCMYFBUKFPL-QGZVFWFLSA-N 2 0 368.522 0.724 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532509 1210745694 /nfs/dbraw/zinc/74/56/94/1210745694.db2.gz KUZZTMGLSFJRBR-GDAAHCPNSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000884557100 1210749743 /nfs/dbraw/zinc/74/97/43/1210749743.db2.gz GZXWSGGARRNQFU-OXJNMPFZSA-N 2 0 371.485 0.230 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000884559685 1210750992 /nfs/dbraw/zinc/75/09/92/1210750992.db2.gz BJFDCLFJLZSKSN-SQNIBIBYSA-N 2 0 374.485 0.042 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000884557802 1210751277 /nfs/dbraw/zinc/75/12/77/1210751277.db2.gz ZYPOCNCNJPJBEM-GDBMZVCRSA-N 2 0 359.474 0.215 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884576729 1210754229 /nfs/dbraw/zinc/75/42/29/1210754229.db2.gz OZEHFSXHYDJACI-HNNXBMFYSA-N 2 0 358.486 0.797 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884572256 1210754470 /nfs/dbraw/zinc/75/44/70/1210754470.db2.gz JOOJOUISWVLCSW-BGTYHANMSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884578356 1210756354 /nfs/dbraw/zinc/75/63/54/1210756354.db2.gz YQEQZJLMJRMVSW-HNNXBMFYSA-N 2 0 358.486 0.939 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000884580226 1210757361 /nfs/dbraw/zinc/75/73/61/1210757361.db2.gz WFCFAYNXENPGAN-IRXDYDNUSA-N 2 0 373.501 0.263 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884597750 1210758352 /nfs/dbraw/zinc/75/83/52/1210758352.db2.gz JAOMQXGGTKXEMS-IBGZPJMESA-N 2 0 366.506 0.207 20 0 FCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884598347 1210758665 /nfs/dbraw/zinc/75/86/65/1210758665.db2.gz YTRCBIDCFOOQHT-UHFFFAOYSA-N 2 0 374.485 0.177 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884601560 1210759665 /nfs/dbraw/zinc/75/96/65/1210759665.db2.gz PJJOUSZPDPFABN-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884601558 1210759698 /nfs/dbraw/zinc/75/96/98/1210759698.db2.gz PJJOUSZPDPFABN-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000884604764 1210760816 /nfs/dbraw/zinc/76/08/16/1210760816.db2.gz OHIIAUAGZYBFBT-CGTJXYLNSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884604952 1210761282 /nfs/dbraw/zinc/76/12/82/1210761282.db2.gz RXVFIAXLAZBIFM-YSHGAJCASA-N 2 0 370.497 0.976 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884616700 1210763827 /nfs/dbraw/zinc/76/38/27/1210763827.db2.gz ARMIJHRPGVMNSD-MSOLQXFVSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000884630045 1210767133 /nfs/dbraw/zinc/76/71/33/1210767133.db2.gz UYVPCXIHBHYEJB-GDBMZVCRSA-N 2 0 362.474 0.234 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884646791 1210772738 /nfs/dbraw/zinc/77/27/38/1210772738.db2.gz GOZRXEMQEATJMB-RHSMWYFYSA-N 2 0 374.485 0.208 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884656526 1210773680 /nfs/dbraw/zinc/77/36/80/1210773680.db2.gz KQKVTZPWXAFXEW-HNNXBMFYSA-N 2 0 368.522 0.722 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000884661569 1210774060 /nfs/dbraw/zinc/77/40/60/1210774060.db2.gz VEVKDMVTCMGTSO-IRXDYDNUSA-N 2 0 362.449 0.727 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000884659917 1210774324 /nfs/dbraw/zinc/77/43/24/1210774324.db2.gz HDIPOJQZALEXLB-CEXWTWQISA-N 2 0 370.497 0.976 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C[NH+]1CCCC1 ZINC000884669506 1210775098 /nfs/dbraw/zinc/77/50/98/1210775098.db2.gz XTLMVWJEPXIJCE-OAHLLOKOSA-N 2 0 358.486 0.797 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C[NH+]1CCCC1 ZINC000884669505 1210775180 /nfs/dbraw/zinc/77/51/80/1210775180.db2.gz XTLMVWJEPXIJCE-HNNXBMFYSA-N 2 0 358.486 0.797 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884669649 1210775963 /nfs/dbraw/zinc/77/59/63/1210775963.db2.gz CDWVOKUCFJDFAN-MSOLQXFVSA-N 2 0 356.470 0.692 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC[NH2+]CC3)C2)cc1 ZINC000884675227 1210776868 /nfs/dbraw/zinc/77/68/68/1210776868.db2.gz WPAYEJYMWFDMBH-GOSISDBHSA-N 2 0 358.486 0.801 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680846 1210779467 /nfs/dbraw/zinc/77/94/67/1210779467.db2.gz COQKBBVXRJPABI-QZTJIDSGSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000884690848 1210780981 /nfs/dbraw/zinc/78/09/81/1210780981.db2.gz NNISDVGLZRGVDA-QAPCUYQASA-N 2 0 367.453 0.935 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000884710101 1210786411 /nfs/dbraw/zinc/78/64/11/1210786411.db2.gz YVERHYNDURLDHT-WMLDXEAASA-N 2 0 359.474 0.752 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000884779479 1210794344 /nfs/dbraw/zinc/79/43/44/1210794344.db2.gz YHFYRLPNCDSTJX-RHSMWYFYSA-N 2 0 359.474 0.358 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000884808601 1210798059 /nfs/dbraw/zinc/79/80/59/1210798059.db2.gz XCJGNGMPOGPAHQ-QGZVFWFLSA-N 2 0 374.485 0.310 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)C2)cc1 ZINC000884819635 1210799326 /nfs/dbraw/zinc/79/93/26/1210799326.db2.gz HULVSQOGDWDURR-NXHRZFHOSA-N 2 0 358.486 0.942 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839973 1210800955 /nfs/dbraw/zinc/80/09/55/1210800955.db2.gz DORYOHWGRRDMAL-HNNXBMFYSA-N 2 0 358.486 0.749 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[C@@H](C)O1 ZINC000884878571 1210802502 /nfs/dbraw/zinc/80/25/02/1210802502.db2.gz ALSQXMXGIVZIBT-OAGGEKHMSA-N 2 0 368.522 0.496 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884892818 1210803366 /nfs/dbraw/zinc/80/33/66/1210803366.db2.gz ZIBREDKIWIEUHF-ZWKOTPCHSA-N 2 0 360.502 0.911 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000884965287 1210805636 /nfs/dbraw/zinc/80/56/36/1210805636.db2.gz ZJDBHDYUQWZORC-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000884965288 1210805834 /nfs/dbraw/zinc/80/58/34/1210805834.db2.gz ZJDBHDYUQWZORC-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884972922 1210805977 /nfs/dbraw/zinc/80/59/77/1210805977.db2.gz VTGLPCFDXCWXSS-HNNXBMFYSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000884983172 1210807154 /nfs/dbraw/zinc/80/71/54/1210807154.db2.gz ODTCHCOSOMSRGD-KSZLIROESA-N 2 0 356.470 0.363 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140779 1210811751 /nfs/dbraw/zinc/81/17/51/1210811751.db2.gz YRSOSWZUCZPVPU-MRXNPFEDSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139614 1210811875 /nfs/dbraw/zinc/81/18/75/1210811875.db2.gz KGKCLPMOEUJKCV-OAGGEKHMSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152561 1210813044 /nfs/dbraw/zinc/81/30/44/1210813044.db2.gz QYIVMXMVWZFSNF-DLBZAZTESA-N 2 0 358.486 0.806 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885152578 1210813052 /nfs/dbraw/zinc/81/30/52/1210813052.db2.gz RFEGBISIIFPKBA-SFHVURJKSA-N 2 0 358.486 0.761 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885280741 1210817141 /nfs/dbraw/zinc/81/71/41/1210817141.db2.gz SOVYNBGZDFIEOG-CYBMUJFWSA-N 2 0 372.416 0.531 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885296127 1210817451 /nfs/dbraw/zinc/81/74/51/1210817451.db2.gz RKSDNVCJRMMPRQ-CQSZACIVSA-N 2 0 372.460 0.824 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064216 1210844579 /nfs/dbraw/zinc/84/45/79/1210844579.db2.gz BYENDSFNPYSWNQ-LULLPPNCSA-N 2 0 370.497 0.915 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000887091511 1210847095 /nfs/dbraw/zinc/84/70/95/1210847095.db2.gz MONXVZJWDASKPS-HNAYVOBHSA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001274195844 1210909076 /nfs/dbraw/zinc/90/90/76/1210909076.db2.gz VZFNKUOCOJWLDJ-DOTOQJQBSA-N 2 0 362.518 0.777 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000889433525 1210938630 /nfs/dbraw/zinc/93/86/30/1210938630.db2.gz FWIORDTUANKNCV-INIZCTEOSA-N 2 0 365.522 0.986 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889742969 1210945681 /nfs/dbraw/zinc/94/56/81/1210945681.db2.gz CHSKXOGQYZQVTR-CSODTCANSA-N 2 0 365.518 0.935 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889742971 1210946106 /nfs/dbraw/zinc/94/61/06/1210946106.db2.gz CHSKXOGQYZQVTR-WZOJCFFYSA-N 2 0 365.518 0.935 20 0 FCADRP COC(=O)c1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)c1C ZINC000890010026 1210960307 /nfs/dbraw/zinc/96/03/07/1210960307.db2.gz WWDVSAZQJZSJMI-UHFFFAOYSA-N 2 0 367.494 0.755 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890135021 1210968142 /nfs/dbraw/zinc/96/81/42/1210968142.db2.gz XXTZNTYKQSNERZ-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831383 1210986683 /nfs/dbraw/zinc/98/66/83/1210986683.db2.gz XPDOFFXUHTWYSH-WEXBMKDWSA-N 2 0 363.502 0.998 20 0 FCADRP CN1CC[NH+](CCCC(=O)N2CCCC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001274514427 1211071776 /nfs/dbraw/zinc/07/17/76/1211071776.db2.gz IZXYOHINERJEOD-UHFFFAOYSA-N 2 0 365.566 0.500 20 0 FCADRP Cc1cc(CN2C[C@@H]3CCN(C(=O)Cc4ccnc(N)c4)[C@@H]3C2)n(C)n1 ZINC001274945883 1211149576 /nfs/dbraw/zinc/14/95/76/1211149576.db2.gz AOZHGHQBZJZMOB-DOTOQJQBSA-N 2 0 354.458 0.981 20 0 FCADRP Cn1cncc1CN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001275152686 1211181875 /nfs/dbraw/zinc/18/18/75/1211181875.db2.gz NVCIYVWFAXPRRU-KXBFYZLASA-N 2 0 359.474 0.903 20 0 FCADRP Cn1cncc1CN1CC[C@@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152683 1211182180 /nfs/dbraw/zinc/18/21/80/1211182180.db2.gz NVCIYVWFAXPRRU-BEFAXECRSA-N 2 0 359.474 0.903 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001275171978 1211189063 /nfs/dbraw/zinc/18/90/63/1211189063.db2.gz QQAKHVCVANQEPW-INIZCTEOSA-N 2 0 359.474 0.067 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507563 1211251984 /nfs/dbraw/zinc/25/19/84/1211251984.db2.gz FKPMHMHSMMGYCI-IBGZPJMESA-N 2 0 366.506 0.551 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556830 1211256387 /nfs/dbraw/zinc/25/63/87/1211256387.db2.gz OWHNOKWKOCJNDT-VQIMIIECSA-N 2 0 366.506 0.143 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275556401 1211256521 /nfs/dbraw/zinc/25/65/21/1211256521.db2.gz KESUOJDOBOYTKY-IBGZPJMESA-N 2 0 359.474 0.622 20 0 FCADRP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556979 1211256800 /nfs/dbraw/zinc/25/68/00/1211256800.db2.gz RFXAJACYFBPDHU-IBGZPJMESA-N 2 0 367.490 0.583 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750737 1211281085 /nfs/dbraw/zinc/28/10/85/1211281085.db2.gz PLXZNERLXDLOKD-YLJYHZDGSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)C[N@@H+]2CC[C@H](O)C2)n(C)n1 ZINC001275800643 1211286310 /nfs/dbraw/zinc/28/63/10/1211286310.db2.gz GQXDJYPWKRVTJF-MMNRESRNSA-N 2 0 361.490 0.407 20 0 FCADRP CCNC(=O)CN1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833831 1211294177 /nfs/dbraw/zinc/29/41/77/1211294177.db2.gz QZRGIWBKVWSBKV-LJQANCHMSA-N 2 0 366.506 0.158 20 0 FCADRP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CCN(CC[NH+](C)C)CC2 ZINC001275842107 1211296173 /nfs/dbraw/zinc/29/61/73/1211296173.db2.gz HLPNIJTXAVYHAH-MRXNPFEDSA-N 2 0 368.522 0.213 20 0 FCADRP CC(C)OC(=O)CN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275878359 1211303677 /nfs/dbraw/zinc/30/36/77/1211303677.db2.gz JRKGIPDGZLLJRW-VQIMIIECSA-N 2 0 367.490 0.583 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3C[C@H](C)C(=O)OC)CC1 ZINC001275879725 1211304814 /nfs/dbraw/zinc/30/48/14/1211304814.db2.gz PMBSCTYENPVMLS-HNNXBMFYSA-N 2 0 367.490 0.441 20 0 FCADRP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881254 1211305075 /nfs/dbraw/zinc/30/50/75/1211305075.db2.gz YKVXRCDGTUPYCQ-VQIMIIECSA-N 2 0 366.506 0.286 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879104 1211305977 /nfs/dbraw/zinc/30/59/77/1211305977.db2.gz NNGPJLLXKDHUAL-UYAOXDASSA-N 2 0 364.534 0.585 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001095419054 1211332063 /nfs/dbraw/zinc/33/20/63/1211332063.db2.gz MOCPZYKGGJKALS-BDXSIMOUSA-N 2 0 360.502 0.672 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4[nH]cnc43)C2)OCC1=O ZINC001276201324 1211380255 /nfs/dbraw/zinc/38/02/55/1211380255.db2.gz HMNWPCHOGIKELP-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4nccn4c3)C2)OCC1=O ZINC001276233543 1211385770 /nfs/dbraw/zinc/38/57/70/1211385770.db2.gz LKBAYCGGJXRFCS-LJQANCHMSA-N 2 0 357.458 0.699 20 0 FCADRP CC[C@H](CCC(=O)OC)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269713 1211400564 /nfs/dbraw/zinc/40/05/64/1211400564.db2.gz OFUCCMPXVGDGOL-VQIMIIECSA-N 2 0 369.506 0.831 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924468185 1211470444 /nfs/dbraw/zinc/47/04/44/1211470444.db2.gz UMURCPDDLBHSQV-SFHVURJKSA-N 2 0 373.501 0.806 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634468 1211475457 /nfs/dbraw/zinc/47/54/57/1211475457.db2.gz NZLWSBPEHCJKBL-IRXDYDNUSA-N 2 0 363.506 0.561 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634467 1211475740 /nfs/dbraw/zinc/47/57/40/1211475740.db2.gz NZLWSBPEHCJKBL-IAGOWNOFSA-N 2 0 363.506 0.561 20 0 FCADRP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924878618 1211483576 /nfs/dbraw/zinc/48/35/76/1211483576.db2.gz YEGXFLHKPRQJQT-GOSISDBHSA-N 2 0 373.501 0.479 20 0 FCADRP C(CN1CCC[C@@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768323 1211507963 /nfs/dbraw/zinc/50/79/63/1211507963.db2.gz JOUHUBZNSWRZHB-FUMNGEBKSA-N 2 0 366.550 0.530 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000926349851 1211537118 /nfs/dbraw/zinc/53/71/18/1211537118.db2.gz BLCZJGGFVLXESP-MRXNPFEDSA-N 2 0 366.506 0.287 20 0 FCADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926357172 1211538885 /nfs/dbraw/zinc/53/88/85/1211538885.db2.gz NPPKUCMVFKSDQN-ZDUSSCGKSA-N 2 0 359.474 0.893 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000927644390 1211578919 /nfs/dbraw/zinc/57/89/19/1211578919.db2.gz MURPIZSGBZEPBX-FUHWJXTLSA-N 2 0 366.506 0.603 20 0 FCADRP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001221337642 1225300291 /nfs/dbraw/zinc/30/02/91/1225300291.db2.gz PYUFLUIHDQWCRR-ILXRZTDVSA-N 2 0 372.510 0.287 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)c2cccnc2N2CC[NH2+]CC2)c1 ZINC001221402493 1225306561 /nfs/dbraw/zinc/30/65/61/1225306561.db2.gz BMELEVDZNHZKMQ-QGZVFWFLSA-N 2 0 355.442 0.930 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399163 1225306250 /nfs/dbraw/zinc/30/62/50/1225306250.db2.gz MVJAMEYNDARESN-OALUTQOASA-N 2 0 366.465 0.503 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221399240 1225306778 /nfs/dbraw/zinc/30/67/78/1225306778.db2.gz JFKJUJSTDGGQEH-ROUUACIJSA-N 2 0 365.481 0.965 20 0 FCADRP C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]21 ZINC000931279226 1211748989 /nfs/dbraw/zinc/74/89/89/1211748989.db2.gz DAHNQVGABPZGNX-DZFIZOCASA-N 2 0 364.534 0.630 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439587 1211756089 /nfs/dbraw/zinc/75/60/89/1211756089.db2.gz OZZIHEWIEIHBHD-IXDOHACOSA-N 2 0 358.442 0.748 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440784 1211756611 /nfs/dbraw/zinc/75/66/11/1211756611.db2.gz LHQOSZLEYZJSGF-IXDOHACOSA-N 2 0 358.490 0.397 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931485768 1211757691 /nfs/dbraw/zinc/75/76/91/1211757691.db2.gz DKDIPNXOSJEURW-KRWDZBQOSA-N 2 0 365.474 0.773 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000931606510 1211762970 /nfs/dbraw/zinc/76/29/70/1211762970.db2.gz ALYQUWOOIIZCPF-INIZCTEOSA-N 2 0 373.501 0.954 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000931610852 1211763551 /nfs/dbraw/zinc/76/35/51/1211763551.db2.gz HZAAXWSESUOEOC-MRXNPFEDSA-N 2 0 373.501 0.954 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111038913 1211818713 /nfs/dbraw/zinc/81/87/13/1211818713.db2.gz RCIHAPCPZIGHBX-TVFCKZIOSA-N 2 0 369.506 0.218 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198183 1211924134 /nfs/dbraw/zinc/92/41/34/1211924134.db2.gz NOTDQWHLKXVPBZ-NXHRZFHOSA-N 2 0 369.506 0.482 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263254 1211987309 /nfs/dbraw/zinc/98/73/09/1211987309.db2.gz IKAYHCQLYQUFNB-MKXGPGLRSA-N 2 0 365.518 0.837 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949017341 1212276454 /nfs/dbraw/zinc/27/64/54/1212276454.db2.gz GHHXIJSOADRBHP-BRWVUGGUSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1nccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1ccnc1)C2 ZINC001007483285 1212504389 /nfs/dbraw/zinc/50/43/89/1212504389.db2.gz FAPICTOWLLKNOM-YJBOKZPZSA-N 2 0 356.430 0.586 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111308133 1212537230 /nfs/dbraw/zinc/53/72/30/1212537230.db2.gz JQFHHLBUGJZUAN-OAGGEKHMSA-N 2 0 364.490 0.589 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001007848735 1212590014 /nfs/dbraw/zinc/59/00/14/1212590014.db2.gz RJXFWSXRBGWPPK-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC001009112975 1212805178 /nfs/dbraw/zinc/80/51/78/1212805178.db2.gz MRFIMICDRHMBPV-HHARLNAUSA-N 2 0 360.502 0.243 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC001009116502 1212806080 /nfs/dbraw/zinc/80/60/80/1212806080.db2.gz DDYUKTYLKSVLSB-FGTAOJJYSA-N 2 0 362.518 0.489 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000954409146 1213069647 /nfs/dbraw/zinc/06/96/47/1213069647.db2.gz LNYRDQCGTWKTJP-ZTFGCOKTSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000641806041 1213215879 /nfs/dbraw/zinc/21/58/79/1213215879.db2.gz BCSWVIXHGOAVSF-KURKYZTESA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CC[NH+]([C@@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC000957552676 1213320751 /nfs/dbraw/zinc/32/07/51/1213320751.db2.gz WIQNQETZDMTRNP-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000959658872 1213489827 /nfs/dbraw/zinc/48/98/27/1213489827.db2.gz FXNLPOGRRVGZHM-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC(C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000959971944 1213566477 /nfs/dbraw/zinc/56/64/77/1213566477.db2.gz HIAMRORUWMPPOG-RXYDEIHYSA-N 2 0 362.518 0.632 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772450 1225475743 /nfs/dbraw/zinc/47/57/43/1225475743.db2.gz AQHKPTFITQOLCU-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CCC[NH+]2C)C3)CC[N@@H+]1C ZINC001010683942 1213808362 /nfs/dbraw/zinc/80/83/62/1213808362.db2.gz GRZMXEDNSUDRSU-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827970 1213849435 /nfs/dbraw/zinc/84/94/35/1213849435.db2.gz CPCOYPPEQAZORA-YLJYHZDGSA-N 2 0 358.486 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001011209602 1213850076 /nfs/dbraw/zinc/85/00/76/1213850076.db2.gz ICZLXEYGYMIOGW-NXHRZFHOSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000418936005 1213927691 /nfs/dbraw/zinc/92/76/91/1213927691.db2.gz BCYPJUGHVODLGB-JXFKEZNVSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001221822989 1225493789 /nfs/dbraw/zinc/49/37/89/1225493789.db2.gz APKYTEHCLYMYNC-RCCFBDPRSA-N 2 0 369.506 0.029 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000419401053 1214179255 /nfs/dbraw/zinc/17/92/55/1214179255.db2.gz AIPBQRKDACKGAS-APWZRJJASA-N 2 0 362.449 0.899 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419429383 1214180208 /nfs/dbraw/zinc/18/02/08/1214180208.db2.gz UPHMGGLQPXQZPF-NRFANRHFSA-N 2 0 370.497 0.906 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001019038655 1214183591 /nfs/dbraw/zinc/18/35/91/1214183591.db2.gz XRMSVDOYUXIBNP-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@@H+]1C ZINC000961666007 1214261460 /nfs/dbraw/zinc/26/14/60/1214261460.db2.gz BKFAFULPDYEVGR-HSFUPAIVSA-N 2 0 362.518 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCCC[NH+]4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961666824 1214262545 /nfs/dbraw/zinc/26/25/45/1214262545.db2.gz NMBMLBLGWQYEDU-UYTYNIKBSA-N 2 0 362.518 0.728 20 0 FCADRP COCCc1noc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000961848723 1214333675 /nfs/dbraw/zinc/33/36/75/1214333675.db2.gz HLPMMMRJGLSKKK-XSCHDIRWSA-N 2 0 365.478 0.583 20 0 FCADRP COc1cccc(C[NH2+]CC2CC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC000961987500 1214393169 /nfs/dbraw/zinc/39/31/69/1214393169.db2.gz AQGBVJPFUCFZJS-RKHAHWSXSA-N 2 0 362.474 0.794 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001040450363 1214510686 /nfs/dbraw/zinc/51/06/86/1214510686.db2.gz PGMRKKNQPNGNDO-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936616 1225542375 /nfs/dbraw/zinc/54/23/75/1225542375.db2.gz MWKCNIHCCOWECC-CEXWTWQISA-N 2 0 365.518 0.648 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000963072312 1214725850 /nfs/dbraw/zinc/72/58/50/1214725850.db2.gz ACDOXVMUYWAMKT-OAGGEKHMSA-N 2 0 366.506 0.031 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962774 1225555163 /nfs/dbraw/zinc/55/51/63/1225555163.db2.gz VPQHZXXYJJGLJE-FGTMMUONSA-N 2 0 371.522 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC[N@@H+]1C ZINC000963796598 1214852757 /nfs/dbraw/zinc/85/27/57/1214852757.db2.gz FIVVKHCJTQLXRN-CWQOZTLDSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC000963830687 1214860539 /nfs/dbraw/zinc/86/05/39/1214860539.db2.gz RPGNVDCECUVTQD-ITFIPKOWSA-N 2 0 363.506 0.369 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001222045553 1225588437 /nfs/dbraw/zinc/58/84/37/1225588437.db2.gz OXXRGOHLHZMVIX-IEBWSBKVSA-N 2 0 361.486 0.903 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055650515 1215898758 /nfs/dbraw/zinc/89/87/58/1215898758.db2.gz YYFJDSJPSASMFB-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001000494516 1216072552 /nfs/dbraw/zinc/07/25/52/1216072552.db2.gz PRKWMFMUJGPAQI-NCOADZHNSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001001419180 1216194645 /nfs/dbraw/zinc/19/46/45/1216194645.db2.gz PQYFVDYXDSLMIE-HYVNUMGLSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050524606 1216330999 /nfs/dbraw/zinc/33/09/99/1216330999.db2.gz HWHORPWMEOZIAT-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276850826 1225667878 /nfs/dbraw/zinc/66/78/78/1225667878.db2.gz GPLVNQCSCXIOOT-QUCCMNQESA-N 2 0 366.550 0.973 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)CC[N@@H+]1C ZINC001051622151 1216465946 /nfs/dbraw/zinc/46/59/46/1216465946.db2.gz NWWSLQMACMCZGK-HYVNUMGLSA-N 2 0 362.474 0.043 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001057875397 1216598346 /nfs/dbraw/zinc/59/83/46/1216598346.db2.gz TZLXNDCOLGHKEU-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[NH+](C)CC)CC[N@@H+]1C ZINC001057942535 1216606191 /nfs/dbraw/zinc/60/61/91/1216606191.db2.gz KESZVVZHLOWPCT-JKSUJKDBSA-N 2 0 370.538 0.384 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cccc(N3CC[C@H]([NH2+]CCO)C3)n2)CC[N@@H+]1C ZINC001069838938 1216805133 /nfs/dbraw/zinc/80/51/33/1216805133.db2.gz MDKPHGOZRSIVOT-HYVNUMGLSA-N 2 0 361.490 0.199 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945057 1216858158 /nfs/dbraw/zinc/85/81/58/1216858158.db2.gz DDIOYXXDFRTFNT-BBWFWOEESA-N 2 0 366.485 0.957 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393467 1225702889 /nfs/dbraw/zinc/70/28/89/1225702889.db2.gz NEBPIRCDVJCKKO-SJORKVTESA-N 2 0 367.538 0.959 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046836 1216922337 /nfs/dbraw/zinc/92/23/37/1216922337.db2.gz REBWOCQMNDPURI-OIISXLGYSA-N 2 0 364.494 0.386 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCN4CCCC4=O)C3)C2)CC[N@@H+]1C ZINC001041301712 1217274036 /nfs/dbraw/zinc/27/40/36/1217274036.db2.gz PUAROAJMHLQSOG-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704094 1217356566 /nfs/dbraw/zinc/35/65/66/1217356566.db2.gz NWSXSRCTSWTOJE-LQWHRVPQSA-N 2 0 370.497 0.742 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704095 1217357059 /nfs/dbraw/zinc/35/70/59/1217357059.db2.gz NWSXSRCTSWTOJE-LVCYWYKZSA-N 2 0 370.497 0.742 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958679 1225768231 /nfs/dbraw/zinc/76/82/31/1225768231.db2.gz IQLODSIVPXQQIH-FQEVSTJZSA-N 2 0 366.550 0.567 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001095965339 1217789891 /nfs/dbraw/zinc/78/98/91/1217789891.db2.gz QPGUYGDXJANVKR-QZWWFDLISA-N 2 0 358.490 0.829 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001045439976 1217929042 /nfs/dbraw/zinc/92/90/42/1217929042.db2.gz FCYFUBWFCCFEQQ-ZNMIVQPWSA-N 2 0 364.490 0.493 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001045445139 1217929721 /nfs/dbraw/zinc/92/97/21/1217929721.db2.gz VGSOZBUSJRHBAV-BRWVUGGUSA-N 2 0 363.506 0.555 20 0 FCADRP C[C@H](CO)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276973549 1225780852 /nfs/dbraw/zinc/78/08/52/1225780852.db2.gz DVYGFXQDIVIBLY-ICSRJNTNSA-N 2 0 366.550 0.709 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900192546 1217969462 /nfs/dbraw/zinc/96/94/62/1217969462.db2.gz OKKURCUGFILJOI-UHFFFAOYSA-N 2 0 367.582 0.936 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900497976 1217999552 /nfs/dbraw/zinc/99/95/52/1217999552.db2.gz QLRKJEGRMOTZSZ-INIZCTEOSA-N 2 0 364.494 0.117 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000900693109 1218024919 /nfs/dbraw/zinc/02/49/19/1218024919.db2.gz MYDHLTJBFKWNEE-IBGZPJMESA-N 2 0 367.582 0.792 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900776819 1218036743 /nfs/dbraw/zinc/03/67/43/1218036743.db2.gz JXMZCGSRHBYBEN-UHFFFAOYSA-N 2 0 360.458 0.896 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000900778286 1218036828 /nfs/dbraw/zinc/03/68/28/1218036828.db2.gz YHUMSXAZGWSRAB-UHFFFAOYSA-N 2 0 358.446 0.858 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898899 1218050702 /nfs/dbraw/zinc/05/07/02/1218050702.db2.gz NLQRJGMQWDWXLB-HXUWFJFHSA-N 2 0 371.485 0.812 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000900967306 1218063664 /nfs/dbraw/zinc/06/36/64/1218063664.db2.gz VWNPPRWZNCBCLA-LJQANCHMSA-N 2 0 366.550 0.973 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001096356871 1218263981 /nfs/dbraw/zinc/26/39/81/1218263981.db2.gz YLDVZQNYMISGNT-QZWWFDLISA-N 2 0 359.474 0.061 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225347541 1225808057 /nfs/dbraw/zinc/80/80/57/1225808057.db2.gz ZOOWDBLSQDRXSL-RBSFLKMASA-N 2 0 367.494 0.333 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538263 1218283408 /nfs/dbraw/zinc/28/34/08/1218283408.db2.gz NRXVPHHLEANIEC-XJTKPRQNSA-N 2 0 366.506 0.329 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001048606381 1218294925 /nfs/dbraw/zinc/29/49/25/1218294925.db2.gz IXXKBYUGLPNVPW-KLHDSHLOSA-N 2 0 363.510 0.563 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829039 1218323182 /nfs/dbraw/zinc/32/31/82/1218323182.db2.gz GCCLYFKPJBQJSW-MDMSPXHWSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829797 1218323868 /nfs/dbraw/zinc/32/38/68/1218323868.db2.gz YATMUVHHMHSCTP-XLMAVXFVSA-N 2 0 362.518 0.776 20 0 FCADRP COC(=O)c1cn(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)nn1 ZINC000903758835 1218517816 /nfs/dbraw/zinc/51/78/16/1218517816.db2.gz NJHXJHQEZRGZKV-OAHLLOKOSA-N 2 0 363.462 0.860 20 0 FCADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903770847 1218521967 /nfs/dbraw/zinc/52/19/67/1218521967.db2.gz ZKXZAFJLYYHKBH-CBZIJGRNSA-N 2 0 361.490 0.803 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@H]21 ZINC000903779057 1218523507 /nfs/dbraw/zinc/52/35/07/1218523507.db2.gz UWAWKQNSPYCGJL-DJIMGWMZSA-N 2 0 371.485 0.752 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC000903777821 1218523925 /nfs/dbraw/zinc/52/39/25/1218523925.db2.gz DBQURFCAYGQIAW-AUUYWEPGSA-N 2 0 357.458 0.506 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001226295957 1225839559 /nfs/dbraw/zinc/83/95/59/1225839559.db2.gz CJTZIQONFGDTAP-KZNAEPCWSA-N 2 0 362.518 0.966 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316030 1225839829 /nfs/dbraw/zinc/83/98/29/1225839829.db2.gz KVUYNDIUYQGQLL-BZUAXINKSA-N 2 0 367.494 0.083 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111453969 1218837590 /nfs/dbraw/zinc/83/75/90/1218837590.db2.gz FRXSJBTXQOSKFR-ZACQAIPSSA-N 2 0 363.506 0.609 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001097778896 1218845093 /nfs/dbraw/zinc/84/50/93/1218845093.db2.gz ABBWKILFCOVZKW-TVFCKZIOSA-N 2 0 361.490 0.307 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001055510370 1219062414 /nfs/dbraw/zinc/06/24/14/1219062414.db2.gz INEGXVLFFTUWBS-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804051103 1219103710 /nfs/dbraw/zinc/10/37/10/1219103710.db2.gz NEDUCXRAWAHLAT-QZWWFDLISA-N 2 0 364.490 0.051 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059051 1219112626 /nfs/dbraw/zinc/11/26/26/1219112626.db2.gz JWUHPNZQGDQOLK-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804058229 1219113030 /nfs/dbraw/zinc/11/30/30/1219113030.db2.gz UFZSGOUXSCWJJU-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070241413 1219312878 /nfs/dbraw/zinc/31/28/78/1219312878.db2.gz DUKYDLJKXMPPQA-SQNIBIBYSA-N 2 0 358.490 0.904 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc3c[nH+]cn3c2)n1 ZINC001070354813 1219392346 /nfs/dbraw/zinc/39/23/46/1219392346.db2.gz WSUALVOFDSBXFG-GJZGRUSLSA-N 2 0 369.429 0.864 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCCO)C2)CC[N@@H+]1C ZINC001070411200 1219409164 /nfs/dbraw/zinc/40/91/64/1219409164.db2.gz GIPLSPNZTIDVIP-HYVNUMGLSA-N 2 0 363.506 0.928 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001227957500 1225892235 /nfs/dbraw/zinc/89/22/35/1225892235.db2.gz JRCSFQJQHNLFRF-RBSFLKMASA-N 2 0 360.462 0.526 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)ccc2c[nH+]cn21 ZINC001070507909 1219445465 /nfs/dbraw/zinc/44/54/65/1219445465.db2.gz VQCHCMGEHBGKPI-FUHWJXTLSA-N 2 0 368.441 0.566 20 0 FCADRP COc1ccnc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277261521 1225893755 /nfs/dbraw/zinc/89/37/55/1225893755.db2.gz XQTYVIPTVANDOM-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070550678 1219465015 /nfs/dbraw/zinc/46/50/15/1219465015.db2.gz BXFDMKXZTGNZBL-FUHWJXTLSA-N 2 0 363.506 0.825 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070555640 1219467542 /nfs/dbraw/zinc/46/75/42/1219467542.db2.gz JYQBZUDRRRHAQY-GOEBONIOSA-N 2 0 358.446 0.071 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070564102 1219471630 /nfs/dbraw/zinc/47/16/30/1219471630.db2.gz VGAQDUQXAJIGRO-SOLBZPMBSA-N 2 0 371.489 0.153 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)n2)O1 ZINC001070574235 1219475934 /nfs/dbraw/zinc/47/59/34/1219475934.db2.gz GZOCRDCYOOHDSN-RRFJBIMHSA-N 2 0 362.478 0.592 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[NH+]4CCC3CC4)n2)O1 ZINC001070574237 1219476180 /nfs/dbraw/zinc/47/61/80/1219476180.db2.gz GZOCRDCYOOHDSN-SOUVJXGZSA-N 2 0 362.478 0.592 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070655336 1219509582 /nfs/dbraw/zinc/50/95/82/1219509582.db2.gz HCRXTWOWBJDKFK-BRWVUGGUSA-N 2 0 363.506 0.559 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070655224 1219509982 /nfs/dbraw/zinc/50/99/82/1219509982.db2.gz AOWYBLINTUOZJY-GVDBMIGSSA-N 2 0 363.506 0.274 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070697837 1219530652 /nfs/dbraw/zinc/53/06/52/1219530652.db2.gz VOKMTZALRAJNIG-DJIMGWMZSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070719044 1219541778 /nfs/dbraw/zinc/54/17/78/1219541778.db2.gz QCRYICUXZUBPNB-IAGOWNOFSA-N 2 0 371.489 0.334 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001070720787 1219542918 /nfs/dbraw/zinc/54/29/18/1219542918.db2.gz IBHPBKDAZDHYQO-NUJGCVRESA-N 2 0 363.506 0.417 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001070924907 1219582564 /nfs/dbraw/zinc/58/25/64/1219582564.db2.gz XWIPBVCZCJACQG-BBWFWOEESA-N 2 0 362.474 0.598 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071068578 1219599728 /nfs/dbraw/zinc/59/97/28/1219599728.db2.gz HGJKUZZOAWKUOO-MSOLQXFVSA-N 2 0 358.442 0.926 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071106619 1219608606 /nfs/dbraw/zinc/60/86/06/1219608606.db2.gz MEGKRIAJSCMNJA-APWZRJJASA-N 2 0 366.506 0.333 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCNC(=O)C1 ZINC000726851756 1219656372 /nfs/dbraw/zinc/65/63/72/1219656372.db2.gz BILLQAOQEBAPCE-UHFFFAOYSA-N 2 0 360.462 0.125 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228341594 1225912131 /nfs/dbraw/zinc/91/21/31/1225912131.db2.gz IFPRUPCSBXDUOL-KZNAEPCWSA-N 2 0 371.522 0.369 20 0 FCADRP CCn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)[C@H]1C ZINC001074895682 1219729868 /nfs/dbraw/zinc/72/98/68/1219729868.db2.gz GUSSZJYGSPRITA-XZDPQHSOSA-N 2 0 357.462 0.914 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001098224779 1219743835 /nfs/dbraw/zinc/74/38/35/1219743835.db2.gz FHOSZNZVXPRACX-QXSJWSMHSA-N 2 0 356.474 0.583 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001098225144 1219744070 /nfs/dbraw/zinc/74/40/70/1219744070.db2.gz WJEDEGJUPRRRIK-ZACQAIPSSA-N 2 0 360.502 0.816 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)C[C@@H](O)COC)CC2)CC[N@@H+]1C ZINC001098370905 1219767765 /nfs/dbraw/zinc/76/77/65/1219767765.db2.gz BCUQKLBLVTVBAV-FGTMMUONSA-N 2 0 371.522 0.009 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)C[C@H](O)COC)CC2)CC[N@@H+]1C ZINC001098370912 1219767939 /nfs/dbraw/zinc/76/79/39/1219767939.db2.gz BCUQKLBLVTVBAV-OKZBNKHCSA-N 2 0 371.522 0.009 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001098371426 1219767997 /nfs/dbraw/zinc/76/79/97/1219767997.db2.gz QBTPDXBQUIJHST-CRAIPNDOSA-N 2 0 363.506 0.546 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC([NH+]3CCCCC3)CC1)C2=O ZINC000749663591 1219806381 /nfs/dbraw/zinc/80/63/81/1219806381.db2.gz ZHACVRGEKRIBQM-UHFFFAOYSA-N 2 0 363.506 0.910 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099029664 1219892104 /nfs/dbraw/zinc/89/21/04/1219892104.db2.gz HYOPRXIQNQWREX-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122911 1219921881 /nfs/dbraw/zinc/92/18/81/1219921881.db2.gz KQSQOABGQCGIDX-SIFCLUCFSA-N 2 0 360.502 0.720 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001099446989 1220000359 /nfs/dbraw/zinc/00/03/59/1220000359.db2.gz UZJKPDHEQPECHM-LESCRADOSA-N 2 0 361.494 0.269 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)C1 ZINC001099500636 1220016554 /nfs/dbraw/zinc/01/65/54/1220016554.db2.gz ZMDOOBLRWUWIHE-GJYPPUQNSA-N 2 0 360.506 0.875 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228618204 1225936649 /nfs/dbraw/zinc/93/66/49/1225936649.db2.gz GPZQGFUJQNPRPD-ZIAGYGMSSA-N 2 0 367.494 0.191 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001099525522 1220023479 /nfs/dbraw/zinc/02/34/79/1220023479.db2.gz GMSFOBGQILJPBP-KSSFIOAISA-N 2 0 359.478 0.024 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099525873 1220023852 /nfs/dbraw/zinc/02/38/52/1220023852.db2.gz DGRHRLSYDBYAGY-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001228623699 1225937324 /nfs/dbraw/zinc/93/73/24/1225937324.db2.gz HMDKPENGOWESMP-RBSFLKMASA-N 2 0 366.506 0.787 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001228624500 1225938088 /nfs/dbraw/zinc/93/80/88/1225938088.db2.gz ZIVOYHWOERFIDV-BFHYXJOUSA-N 2 0 367.494 0.319 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1)[NH+](C)C ZINC001228646229 1225939923 /nfs/dbraw/zinc/93/99/23/1225939923.db2.gz BFEGWDHHGQRBII-KFWWJZLASA-N 2 0 362.478 0.772 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CCC1 ZINC001101267850 1220256535 /nfs/dbraw/zinc/25/65/35/1220256535.db2.gz VIWHWCRKFIZCRF-APWZRJJASA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267831 1220256763 /nfs/dbraw/zinc/25/67/63/1220256763.db2.gz UMYYNCISJKPMGU-KPFFTGBYSA-N 2 0 364.534 0.974 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285248 1220267042 /nfs/dbraw/zinc/26/70/42/1220267042.db2.gz URZQOGCBYOKITR-VFVRVIDISA-N 2 0 367.494 0.080 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305135 1220278397 /nfs/dbraw/zinc/27/83/97/1220278397.db2.gz GTACEGKZYBHGLS-RMQWMXHSSA-N 2 0 363.502 0.666 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400330 1220323800 /nfs/dbraw/zinc/32/38/00/1220323800.db2.gz RGBRXQJAQPILIF-LMMKCTJWSA-N 2 0 371.522 0.132 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432449 1220341672 /nfs/dbraw/zinc/34/16/72/1220341672.db2.gz SHSZRUDOGGQWBH-MDZRGWNJSA-N 2 0 368.522 0.260 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432204 1220341723 /nfs/dbraw/zinc/34/17/23/1220341723.db2.gz HHRFUKRSKNQODW-HLIPFELVSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432646 1220342436 /nfs/dbraw/zinc/34/24/36/1220342436.db2.gz WTTXTRFRKMXNJT-FCEWJHQRSA-N 2 0 361.490 0.896 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101440702 1220346746 /nfs/dbraw/zinc/34/67/46/1220346746.db2.gz RHNJXVHKVBPHKL-BEFAXECRSA-N 2 0 364.490 0.258 20 0 FCADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045963 1220476091 /nfs/dbraw/zinc/47/60/91/1220476091.db2.gz FAFZBYOINKBLQO-ZACQAIPSSA-N 2 0 371.522 0.179 20 0 FCADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046161 1220477373 /nfs/dbraw/zinc/47/73/73/1220477373.db2.gz PVSBGRDLQDPPFP-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048814 1220477391 /nfs/dbraw/zinc/47/73/91/1220477391.db2.gz PPLDACFBJCKCCI-ZTFGCOKTSA-N 2 0 368.522 0.163 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171394 1220533711 /nfs/dbraw/zinc/53/37/11/1220533711.db2.gz VQHXENYRMYZWPP-MJQPBPLVSA-N 2 0 365.518 0.960 20 0 FCADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312724 1220582948 /nfs/dbraw/zinc/58/29/48/1220582948.db2.gz KGQGDCZOSXNNGW-NXHRZFHOSA-N 2 0 371.522 0.036 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366453 1220593618 /nfs/dbraw/zinc/59/36/18/1220593618.db2.gz FWGDFJSUYYBGFW-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366552 1220594254 /nfs/dbraw/zinc/59/42/54/1220594254.db2.gz JFPLDHHTMKKBDN-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433563 1220623429 /nfs/dbraw/zinc/62/34/29/1220623429.db2.gz AADWBZSJRJPFPN-BMFZPTHFSA-N 2 0 364.490 0.208 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102473644 1220644036 /nfs/dbraw/zinc/64/40/36/1220644036.db2.gz JPCSYOIXBRZXNS-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102475295 1220644830 /nfs/dbraw/zinc/64/48/30/1220644830.db2.gz HTNSEFHOKVPAKW-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496157 1220657015 /nfs/dbraw/zinc/65/70/15/1220657015.db2.gz HGAODQUKSQIPLW-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1 ZINC001102511207 1220670446 /nfs/dbraw/zinc/67/04/46/1220670446.db2.gz NMVSAYCZEKSBCJ-HUUCEWRRSA-N 2 0 365.478 0.248 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520526 1220678290 /nfs/dbraw/zinc/67/82/90/1220678290.db2.gz OEUFEQGUHSNFIO-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579669 1220701110 /nfs/dbraw/zinc/70/11/10/1220701110.db2.gz JEEMSNLAWWRSGW-HZPDHXFCSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580832 1220703244 /nfs/dbraw/zinc/70/32/44/1220703244.db2.gz NKBQUJBQSYIRTC-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001103219065 1220852408 /nfs/dbraw/zinc/85/24/08/1220852408.db2.gz NNJYKKUYGCABJU-ZIAGYGMSSA-N 2 0 356.430 0.440 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550191 1220899702 /nfs/dbraw/zinc/89/97/02/1220899702.db2.gz DDWOAURHEFMIAB-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001103643792 1220925736 /nfs/dbraw/zinc/92/57/36/1220925736.db2.gz QMTQCTLKYUWEFE-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103665689 1220933282 /nfs/dbraw/zinc/93/32/82/1220933282.db2.gz PSYPHUBVLTXPHN-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001103719088 1220950553 /nfs/dbraw/zinc/95/05/53/1220950553.db2.gz QGBLYHABHJIOOT-ZTFGCOKTSA-N 2 0 362.522 0.921 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755563 1220965299 /nfs/dbraw/zinc/96/52/99/1220965299.db2.gz LLQGUSFFRWRHSA-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)CC1 ZINC001229389441 1226008682 /nfs/dbraw/zinc/00/86/82/1226008682.db2.gz OFOJDFCLLFZTKX-IAGOWNOFSA-N 2 0 364.494 0.406 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001104211040 1221022481 /nfs/dbraw/zinc/02/24/81/1221022481.db2.gz OBVVUSSAVHMEJW-QBPKDAKJSA-N 2 0 365.522 0.426 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751468 1221088857 /nfs/dbraw/zinc/08/88/57/1221088857.db2.gz XCVOYUAKCSLFNJ-ZWOKBUDYSA-N 2 0 362.518 0.777 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111799778 1221115355 /nfs/dbraw/zinc/11/53/55/1221115355.db2.gz HUDCXHIZJNXKFJ-WDYCEAGBSA-N 2 0 358.442 0.926 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111938386 1221179665 /nfs/dbraw/zinc/17/96/65/1221179665.db2.gz YUOPJYVWLYROLU-SYNHAJSKSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947427 1221181481 /nfs/dbraw/zinc/18/14/81/1221181481.db2.gz IPWGBCTXDKPOBH-GLJUWKHASA-N 2 0 367.494 0.272 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009833 1221199426 /nfs/dbraw/zinc/19/94/26/1221199426.db2.gz WCRWPFKUDPMABJ-GLJUWKHASA-N 2 0 367.494 0.141 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001112291830 1221232783 /nfs/dbraw/zinc/23/27/83/1221232783.db2.gz ZYQQKLUSIROOGR-FCEWJHQRSA-N 2 0 366.506 0.014 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692893 1226027543 /nfs/dbraw/zinc/02/75/43/1226027543.db2.gz MFPQXESLIZCRJG-KZNAEPCWSA-N 2 0 368.522 0.498 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447137 1221261446 /nfs/dbraw/zinc/26/14/46/1221261446.db2.gz GDANOTYKAXXTQA-LNLFQRSKSA-N 2 0 365.518 0.840 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001229715855 1226030323 /nfs/dbraw/zinc/03/03/23/1226030323.db2.gz ALBVTYJHXNOHCP-KZNAEPCWSA-N 2 0 371.522 0.777 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001229717648 1226030801 /nfs/dbraw/zinc/03/08/01/1226030801.db2.gz UTLSMGVEHYBFQZ-ARFHVFGLSA-N 2 0 364.494 0.361 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799144586 1221303393 /nfs/dbraw/zinc/30/33/93/1221303393.db2.gz HCUSKDSVFIGRCU-MRXNPFEDSA-N 2 0 364.490 0.496 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)N1C[C@@H](O)C[NH+]1CCCC1 ZINC000799168897 1221304311 /nfs/dbraw/zinc/30/43/11/1221304311.db2.gz YPKJQFFUNAOZST-YRPNKDGESA-N 2 0 368.566 0.294 20 0 FCADRP C[C@@H](CC[NH+]1CCC2(CNC(=O)C2)CC1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001116333838 1221354606 /nfs/dbraw/zinc/35/46/06/1221354606.db2.gz YCAZGZHCSMSEAO-INIZCTEOSA-N 2 0 362.518 0.969 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229837892 1226036610 /nfs/dbraw/zinc/03/66/10/1226036610.db2.gz ZRSUEEDEYLQYBK-HZPDHXFCSA-N 2 0 366.506 0.884 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001117359110 1221530817 /nfs/dbraw/zinc/53/08/17/1221530817.db2.gz GKGUAKLXABDKEN-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149484 1226058042 /nfs/dbraw/zinc/05/80/42/1226058042.db2.gz LBTIBQXTCNLVFP-BRWVUGGUSA-N 2 0 368.522 0.496 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC001230149521 1226059145 /nfs/dbraw/zinc/05/91/45/1226059145.db2.gz MSEJUCMRTDGNBW-USXIJHARSA-N 2 0 364.494 0.300 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC001117981682 1221676440 /nfs/dbraw/zinc/67/64/40/1221676440.db2.gz ZCARFDIQJLVASF-SFHVURJKSA-N 2 0 358.486 0.898 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001117985799 1221677124 /nfs/dbraw/zinc/67/71/24/1221677124.db2.gz WWZQRHIJAQYQDF-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC001118040561 1221695550 /nfs/dbraw/zinc/69/55/50/1221695550.db2.gz MAWKYFRMVAISBL-MRXNPFEDSA-N 2 0 373.501 0.252 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)CC[NH2+]CC2 ZINC001118086390 1221707440 /nfs/dbraw/zinc/70/74/40/1221707440.db2.gz SJWBXJUGJKLKGQ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)cn1 ZINC001118265633 1221746880 /nfs/dbraw/zinc/74/68/80/1221746880.db2.gz UTDVKNODCPLGRW-UHFFFAOYSA-N 2 0 360.418 0.359 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC001118333377 1221762171 /nfs/dbraw/zinc/76/21/71/1221762171.db2.gz MDMDQYWNOVAFHJ-MWDXBVQZSA-N 2 0 366.506 0.141 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N3CCCN(C(N)=O)CC3)CC2)CC1 ZINC001118373818 1221769661 /nfs/dbraw/zinc/76/96/61/1221769661.db2.gz LEILCTXGIHDVAF-UHFFFAOYSA-N 2 0 365.522 0.796 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001118569643 1221802182 /nfs/dbraw/zinc/80/21/82/1221802182.db2.gz ZGESDPINTZQDHD-ZDUSSCGKSA-N 2 0 362.478 0.159 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230274775 1226071108 /nfs/dbraw/zinc/07/11/08/1226071108.db2.gz KZJLRDJWHXQBBR-GVDBMIGSSA-N 2 0 370.538 0.885 20 0 FCADRP C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[C@@H](C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001118757338 1221827813 /nfs/dbraw/zinc/82/78/13/1221827813.db2.gz CNSMKYZZILGXOV-HZPDHXFCSA-N 2 0 362.518 0.587 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001230284606 1226072124 /nfs/dbraw/zinc/07/21/24/1226072124.db2.gz NIMPJEHFJOAUEO-HUUCEWRRSA-N 2 0 362.478 0.772 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119065747 1221862003 /nfs/dbraw/zinc/86/20/03/1221862003.db2.gz AXQALQQCQAXKGD-UZLBHIALSA-N 2 0 370.453 0.552 20 0 FCADRP CC[C@@H]1COCCN1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119145396 1221877696 /nfs/dbraw/zinc/87/76/96/1221877696.db2.gz VJCAOIFHTAKMLZ-FUHWJXTLSA-N 2 0 368.522 0.897 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC001119368097 1221907376 /nfs/dbraw/zinc/90/73/76/1221907376.db2.gz HJBWXGUBBOGSMW-SJORKVTESA-N 2 0 360.458 0.426 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC001119724957 1221957448 /nfs/dbraw/zinc/95/74/48/1221957448.db2.gz DNEHFADIPMFBEZ-NVXWUHKLSA-N 2 0 363.510 0.847 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCN1C ZINC001119809968 1221976516 /nfs/dbraw/zinc/97/65/16/1221976516.db2.gz IDRBLYMGTURSIX-NJAFHUGGSA-N 2 0 358.486 0.834 20 0 FCADRP CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC001120515500 1222098727 /nfs/dbraw/zinc/09/87/27/1222098727.db2.gz XJBGRCZRZVNVCO-HOTGVXAUSA-N 2 0 363.506 0.630 20 0 FCADRP [NH3+]C1CC2(C1)CC(NC(=O)N1CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C1)C2 ZINC001120584636 1222106724 /nfs/dbraw/zinc/10/67/24/1222106724.db2.gz PUKULKPIIRCFPB-ITFIPKOWSA-N 2 0 363.506 0.546 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001120702534 1222115195 /nfs/dbraw/zinc/11/51/95/1222115195.db2.gz FOFVKEPXFZOGOD-MRXNPFEDSA-N 2 0 364.494 0.620 20 0 FCADRP CC(CC(=O)N[C@@H]1C[NH+]2CCC1CC2)CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120774387 1222119908 /nfs/dbraw/zinc/11/99/08/1222119908.db2.gz OHCUDPOVFQVLBA-QZTJIDSGSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+]1CC[C@]2(CCN(c3ncnc(N4CC[C@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC001120935062 1222131104 /nfs/dbraw/zinc/13/11/04/1222131104.db2.gz NDMKKILVTGRBCL-OALUTQOASA-N 2 0 357.506 0.936 20 0 FCADRP COc1cccc([C@H](CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC001121898177 1222220970 /nfs/dbraw/zinc/22/09/70/1222220970.db2.gz YDBDJFXSWQGASM-WMZOPIPTSA-N 2 0 364.490 0.904 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001121928315 1222225324 /nfs/dbraw/zinc/22/53/24/1222225324.db2.gz MPVSZAKTELRDKD-YWZLYKJASA-N 2 0 360.502 0.795 20 0 FCADRP Cn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n(C)c1=O ZINC001122072313 1222238576 /nfs/dbraw/zinc/23/85/76/1222238576.db2.gz ZRQUYTHDOSMEAO-UHFFFAOYSA-N 2 0 357.458 0.447 20 0 FCADRP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)(N2CCOCC2)CC1 ZINC001123625442 1222344840 /nfs/dbraw/zinc/34/48/40/1222344840.db2.gz SEVFONUWIGNWGX-KRWDZBQOSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001123637558 1222346027 /nfs/dbraw/zinc/34/60/27/1222346027.db2.gz VXKYFGAMDRFBSQ-INDMIFKZSA-N 2 0 363.550 0.392 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)N1CC[NH+](C)CC1 ZINC001123790428 1222357172 /nfs/dbraw/zinc/35/71/72/1222357172.db2.gz ZADQQZQQEYTKLR-QGZVFWFLSA-N 2 0 362.522 0.791 20 0 FCADRP C[C@H](CCN1CC[C@@H]2COC(=O)N[C@H]2C1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920744 1222485746 /nfs/dbraw/zinc/48/57/46/1222485746.db2.gz DAOOTJOAVAGZAE-SUJAAXHWSA-N 2 0 366.462 0.626 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000832317387 1222527036 /nfs/dbraw/zinc/52/70/36/1222527036.db2.gz GPFKVVPGDYAJCJ-ACDBMABISA-N 2 0 368.566 0.154 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(Cc4nccnc4N)CC3)CC2)CC1 ZINC001140014463 1222563694 /nfs/dbraw/zinc/56/36/94/1222563694.db2.gz UDLQQCNNSZOJIX-UHFFFAOYSA-N 2 0 373.549 0.735 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(CO)cnc(C)c3O)CC[C@@H]2C1 ZINC001140867437 1222618784 /nfs/dbraw/zinc/61/87/84/1222618784.db2.gz DWKFKLNMSQZOLR-CRAIPNDOSA-N 2 0 365.474 0.757 20 0 FCADRP COC(=O)NCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000836264435 1222620896 /nfs/dbraw/zinc/62/08/96/1222620896.db2.gz DZFCETRYHFVXRK-UHFFFAOYSA-N 2 0 364.450 0.249 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)CC(=O)NC(=O)C4)cn2)CC1 ZINC001232362596 1226148725 /nfs/dbraw/zinc/14/87/25/1226148725.db2.gz ZZHFQWJDDDEAID-UHFFFAOYSA-N 2 0 371.485 0.852 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C[NH+](C)C ZINC000839483696 1222740952 /nfs/dbraw/zinc/74/09/52/1222740952.db2.gz FIDQGPGAVRFBER-ZWKOTPCHSA-N 2 0 374.485 0.975 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000841017271 1222805024 /nfs/dbraw/zinc/80/50/24/1222805024.db2.gz CNZVSQATLUBQHP-UHFFFAOYSA-N 2 0 360.506 0.855 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000841178278 1222811998 /nfs/dbraw/zinc/81/19/98/1222811998.db2.gz FGZHGRDMQGQNLI-MAUKXSAKSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1 ZINC000841189395 1222812847 /nfs/dbraw/zinc/81/28/47/1222812847.db2.gz GKDVSLPPNHKLPZ-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841208013 1222813802 /nfs/dbraw/zinc/81/38/02/1222813802.db2.gz WOQRTMQUNLZTJK-JKSUJKDBSA-N 2 0 373.501 0.976 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842011499 1222832517 /nfs/dbraw/zinc/83/25/17/1222832517.db2.gz PEAAMAAHRIXLOT-IEBWSBKVSA-N 2 0 362.474 0.253 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164664 1222838350 /nfs/dbraw/zinc/83/83/50/1222838350.db2.gz MGYRKXULOWAKRO-MSOLQXFVSA-N 2 0 374.485 0.343 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000842232425 1222843507 /nfs/dbraw/zinc/84/35/07/1222843507.db2.gz VZFVCYNGWPTPGO-SFHVURJKSA-N 2 0 358.486 0.891 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCCCCC[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000843262086 1222867549 /nfs/dbraw/zinc/86/75/49/1222867549.db2.gz NBNXGAKJWBSYMI-SJORKVTESA-N 2 0 367.538 0.106 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703922 1226164156 /nfs/dbraw/zinc/16/41/56/1226164156.db2.gz ISTWFYDJLQGVJX-YLJYHZDGSA-N 2 0 361.486 0.912 20 0 FCADRP CCc1cc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001155378361 1223033667 /nfs/dbraw/zinc/03/36/67/1223033667.db2.gz YBSHDVULCXLLDD-QGZVFWFLSA-N 3 0 360.506 0.735 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992449 1223065135 /nfs/dbraw/zinc/06/51/35/1223065135.db2.gz LETDHLIBCXHKTI-QKNQBKEWSA-N 2 0 373.497 0.681 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992450 1223065228 /nfs/dbraw/zinc/06/52/28/1223065228.db2.gz LETDHLIBCXHKTI-ZJOUEHCJSA-N 2 0 373.497 0.681 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081928 1223067048 /nfs/dbraw/zinc/06/70/48/1223067048.db2.gz FXQFKAZVZSINDU-YEWWUXTCSA-N 2 0 364.446 0.549 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2)C(=O)N1CCCC1 ZINC001157371230 1223075541 /nfs/dbraw/zinc/07/55/41/1223075541.db2.gz QCBBRKKSILFFEV-TXPKVOOTSA-N 2 0 366.506 0.381 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1COC2(C1)CC[NH2+]CC2)C(=O)N1CCCC1 ZINC001157370932 1223075590 /nfs/dbraw/zinc/07/55/90/1223075590.db2.gz LFWDBHOJVHMJFL-HOTGVXAUSA-N 2 0 366.506 0.381 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001157449102 1223076619 /nfs/dbraw/zinc/07/66/19/1223076619.db2.gz RMHFJWWHHRGUDB-HOTGVXAUSA-N 2 0 366.506 0.333 20 0 FCADRP COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001157423265 1223076977 /nfs/dbraw/zinc/07/69/77/1223076977.db2.gz QDZJBRLAEWXMES-CJNGLKHVSA-N 2 0 362.474 0.210 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)COC1(C)C ZINC001157507971 1223077956 /nfs/dbraw/zinc/07/79/56/1223077956.db2.gz NAPYSCBYVDUSNW-UAGQMJEPSA-N 2 0 374.485 0.812 20 0 FCADRP CCOc1ccccc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157615767 1223079644 /nfs/dbraw/zinc/07/96/44/1223079644.db2.gz PMNXXPGUDVRPJA-OXQOHEQNSA-N 2 0 358.486 0.933 20 0 FCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CC1 ZINC001157741446 1223081188 /nfs/dbraw/zinc/08/11/88/1223081188.db2.gz XDFKJXMGGIXZOG-CCKFTAQKSA-N 2 0 360.433 0.775 20 0 FCADRP CN1CC(=O)Nc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC001157838047 1223082822 /nfs/dbraw/zinc/08/28/22/1223082822.db2.gz PFHXMNDBBSCDRG-UHFFFAOYSA-N 2 0 359.478 0.329 20 0 FCADRP C[C@H]1C(=O)Nc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc2N1C ZINC001157838204 1223083029 /nfs/dbraw/zinc/08/30/29/1223083029.db2.gz SDIPZTBPHCZBNV-AWEZNQCLSA-N 2 0 373.505 0.717 20 0 FCADRP C[NH+]1CCN(c2nccc(-n3nc(-c4ccccc4)nc3CC[NH3+])n2)CC1 ZINC001157904307 1223083858 /nfs/dbraw/zinc/08/38/58/1223083858.db2.gz MDDMUPCFDHWXFI-UHFFFAOYSA-N 2 0 364.457 0.977 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071089 1223087798 /nfs/dbraw/zinc/08/77/98/1223087798.db2.gz UISBXSXGJBRTBQ-YWZLYKJASA-N 2 0 370.453 0.077 20 0 FCADRP O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001158101868 1223089044 /nfs/dbraw/zinc/08/90/44/1223089044.db2.gz NHHSKDJVWFWEMN-UXHICEINSA-N 2 0 356.470 0.289 20 0 FCADRP [NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)c1ccc2ccccc2c1 ZINC001158119002 1223089563 /nfs/dbraw/zinc/08/95/63/1223089563.db2.gz FNRCLELKHKFBBR-UWJYYQICSA-N 2 0 364.449 0.778 20 0 FCADRP O=C([C@@H]1C[C@H](c2ccccc2)CC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120471 1223089908 /nfs/dbraw/zinc/08/99/08/1223089908.db2.gz NFYHCENAUFABKV-LLGFUMIMSA-N 2 0 368.481 0.460 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170101 1223090078 /nfs/dbraw/zinc/09/00/78/1223090078.db2.gz VSWPBAQXGRXIRB-MGPUTAFESA-N 2 0 354.454 0.841 20 0 FCADRP O=C([C@H]1OC2(CC[NH2+]CC2)c2ccccc21)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168672 1223090137 /nfs/dbraw/zinc/09/01/37/1223090137.db2.gz WTMDUXQCGPLVBF-OLMNPRSZSA-N 2 0 357.454 0.783 20 0 FCADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158168789 1223090380 /nfs/dbraw/zinc/09/03/80/1223090380.db2.gz OMRXDMOAQMDSQE-LPHOPBHVSA-N 2 0 370.457 0.748 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215456 1223091299 /nfs/dbraw/zinc/09/12/99/1223091299.db2.gz NPZLOWWWJLDWOY-HRCADAONSA-N 2 0 357.410 0.721 20 0 FCADRP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262561 1223092277 /nfs/dbraw/zinc/09/22/77/1223092277.db2.gz STWYTNBJHCOMLU-BEFAXECRSA-N 2 0 374.489 0.248 20 0 FCADRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158259968 1223092507 /nfs/dbraw/zinc/09/25/07/1223092507.db2.gz AJALMORZMWVNSW-MRXNPFEDSA-N 2 0 354.458 0.530 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]CCn2cccn2)CC1 ZINC001158263850 1223092858 /nfs/dbraw/zinc/09/28/58/1223092858.db2.gz HQFPRDLTNRVDKB-MSOLQXFVSA-N 2 0 363.506 0.726 20 0 FCADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281808 1223093631 /nfs/dbraw/zinc/09/36/31/1223093631.db2.gz CLXHEDDWMZVDDZ-WBVHZDCISA-N 2 0 364.494 0.158 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306977 1223094695 /nfs/dbraw/zinc/09/46/95/1223094695.db2.gz ZLLLUGQATDHZJT-MLHJIOFPSA-N 2 0 356.470 0.368 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001158495893 1223099942 /nfs/dbraw/zinc/09/99/42/1223099942.db2.gz FCBVRPAEGSRPJK-NNXHMXCWSA-N 2 0 358.442 0.484 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@]3(N)CCC[NH2+]C3)CC2)CC1 ZINC001158512722 1223100491 /nfs/dbraw/zinc/10/04/91/1223100491.db2.gz ACXJLNGABFESRW-IBGZPJMESA-N 2 0 366.506 0.333 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC001158513736 1223100501 /nfs/dbraw/zinc/10/05/01/1223100501.db2.gz QNCIFKISDRYAIS-INIZCTEOSA-N 2 0 367.490 0.631 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544258 1223101694 /nfs/dbraw/zinc/10/16/94/1223101694.db2.gz CBUXDWMIXYIAJI-PKRADWSKSA-N 2 0 359.470 0.287 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534120 1223101789 /nfs/dbraw/zinc/10/17/89/1223101789.db2.gz RSAYULOBDASUMW-JNNRSPCRSA-N 2 0 365.474 0.559 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533329 1223101879 /nfs/dbraw/zinc/10/18/79/1223101879.db2.gz KHOJHGNKTAJOEV-PDOICOKGSA-N 2 0 373.453 0.427 20 0 FCADRP O=C([C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535519 1223101911 /nfs/dbraw/zinc/10/19/11/1223101911.db2.gz WRMFTIRGIVSZGD-LZRWSTQFSA-N 2 0 357.454 0.775 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001158566271 1223102201 /nfs/dbraw/zinc/10/22/01/1223102201.db2.gz AMUCFMHODBSLNH-MJBXVCDLSA-N 2 0 362.453 0.065 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001158566268 1223102233 /nfs/dbraw/zinc/10/22/33/1223102233.db2.gz AMUCFMHODBSLNH-BFHYXJOUSA-N 2 0 362.453 0.065 20 0 FCADRP O=C(c1cccnc1N1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548723 1223102437 /nfs/dbraw/zinc/10/24/37/1223102437.db2.gz XSIIWVCPEXZGMM-QMTMVMCOSA-N 2 0 357.458 0.084 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@@H]3NC4=O)C[C@@H]2CF)CC1 ZINC001158580884 1223103067 /nfs/dbraw/zinc/10/30/67/1223103067.db2.gz CZEUQKIFGHCDCN-SJWGOKEGSA-N 2 0 372.444 0.634 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158637245 1223103678 /nfs/dbraw/zinc/10/36/78/1223103678.db2.gz SZWFZBXIJJNNIZ-RDTXWAMCSA-N 2 0 360.462 0.136 20 0 FCADRP [NH3+][C@H](C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C1CC[NH2+]CC1 ZINC001158682050 1223104742 /nfs/dbraw/zinc/10/47/42/1223104742.db2.gz RNIDXONWFDBEQV-ZSYWTGECSA-N 2 0 374.485 0.684 20 0 FCADRP CC(C)N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759215 1223107226 /nfs/dbraw/zinc/10/72/26/1223107226.db2.gz LIPXMSPQEFOPDJ-QGZVFWFLSA-N 3 0 372.517 0.780 20 0 FCADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C2 ZINC001158789002 1223109181 /nfs/dbraw/zinc/10/91/81/1223109181.db2.gz CLFWGZYIHMFEQQ-CABCVRRESA-N 2 0 366.510 0.866 20 0 FCADRP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC3)cn1 ZINC001158991969 1223114409 /nfs/dbraw/zinc/11/44/09/1223114409.db2.gz RXXCPPVEDDFIPI-RDJZCZTQSA-N 2 0 361.490 0.612 20 0 FCADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159031591 1223115575 /nfs/dbraw/zinc/11/55/75/1223115575.db2.gz ZCMLVDLJRAHTEJ-INIZCTEOSA-N 2 0 365.430 0.363 20 0 FCADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001159083934 1223117106 /nfs/dbraw/zinc/11/71/06/1223117106.db2.gz CSEKICPYUIMKEM-OWCLPIDISA-N 2 0 372.473 0.001 20 0 FCADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159116226 1223117735 /nfs/dbraw/zinc/11/77/35/1223117735.db2.gz JBGCCUWBTLSFGE-SJORKVTESA-N 2 0 361.490 0.197 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001159133874 1223118572 /nfs/dbraw/zinc/11/85/72/1223118572.db2.gz KHJZKQNNKXJSJC-OAGGEKHMSA-N 2 0 363.506 0.949 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159192471 1223120004 /nfs/dbraw/zinc/12/00/04/1223120004.db2.gz SVGRJKCSNZYEKZ-DOTOQJQBSA-N 2 0 359.474 0.077 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235068 1223121538 /nfs/dbraw/zinc/12/15/38/1223121538.db2.gz QRQXXPPYPUYVNZ-CVEARBPZSA-N 2 0 372.448 0.905 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001159284681 1223123265 /nfs/dbraw/zinc/12/32/65/1223123265.db2.gz ZKLMWFBIROZBPP-OAHLLOKOSA-N 2 0 358.446 0.254 20 0 FCADRP [NH3+]C1CCN(c2ccc(Nc3cnc(N4CC[NH2+]CC4)nc3)cn2)CC1 ZINC001159321870 1223124458 /nfs/dbraw/zinc/12/44/58/1223124458.db2.gz UUOOAMXLQKXJLL-UHFFFAOYSA-N 2 0 354.462 0.952 20 0 FCADRP Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159367863 1223125044 /nfs/dbraw/zinc/12/50/44/1223125044.db2.gz LVIOJVNGOCKJQB-DOTOQJQBSA-N 2 0 372.473 0.524 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2CCC(C[NH3+])CC2)CC3)CC1 ZINC001159424170 1223126852 /nfs/dbraw/zinc/12/68/52/1223126852.db2.gz CQJXIYQEBBMHRP-UHFFFAOYSA-N 2 0 374.533 0.738 20 0 FCADRP CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)O1 ZINC001159451454 1223127330 /nfs/dbraw/zinc/12/73/30/1223127330.db2.gz XSLPQIWTWVKBLB-RVKKMQEKSA-N 2 0 369.510 0.254 20 0 FCADRP O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549562 1223130013 /nfs/dbraw/zinc/13/00/13/1223130013.db2.gz PDFAIOYFUYLJFO-HDMKZQKVSA-N 2 0 359.474 0.634 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@H]2C ZINC001159633139 1223131728 /nfs/dbraw/zinc/13/17/28/1223131728.db2.gz GMRVPYHXTUKAPT-YOEHRIQHSA-N 3 0 362.522 0.953 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@H]2C ZINC001159633138 1223131855 /nfs/dbraw/zinc/13/18/55/1223131855.db2.gz GMRVPYHXTUKAPT-WMLDXEAASA-N 3 0 362.522 0.953 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666248 1223133013 /nfs/dbraw/zinc/13/30/13/1223133013.db2.gz PQWBDWVWOPWOOV-DLBZAZTESA-N 2 0 374.489 0.537 20 0 FCADRP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159695940 1223134045 /nfs/dbraw/zinc/13/40/45/1223134045.db2.gz HGFZZDMCEJDDOC-CJNGLKHVSA-N 2 0 359.474 0.522 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159746645 1223135469 /nfs/dbraw/zinc/13/54/69/1223135469.db2.gz JITULJSQFKEHFB-YESZJQIVSA-N 2 0 360.458 0.052 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930015 1223139913 /nfs/dbraw/zinc/13/99/13/1223139913.db2.gz OUWYAAXNRPCLMT-LUKYLMHMSA-N 2 0 367.538 0.101 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160050722 1223143456 /nfs/dbraw/zinc/14/34/56/1223143456.db2.gz DPPFTCCOQFURGQ-GOSISDBHSA-N 2 0 369.513 0.705 20 0 FCADRP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160054036 1223143494 /nfs/dbraw/zinc/14/34/94/1223143494.db2.gz WNFWVCLKQLWBPF-RXVVDRJESA-N 3 0 369.513 0.848 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160083741 1223144638 /nfs/dbraw/zinc/14/46/38/1223144638.db2.gz BSLZWANXVBPYMD-TXPKVOOTSA-N 2 0 359.474 0.393 20 0 FCADRP Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@@H]4C[NH2+]CC45C[NH2+]C5)C3)CC2=O)s1 ZINC001160095235 1223145386 /nfs/dbraw/zinc/14/53/86/1223145386.db2.gz UGDKJDMYDMSTFT-KSSFIOAISA-N 2 0 374.510 0.821 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127952 1223146654 /nfs/dbraw/zinc/14/66/54/1223146654.db2.gz GMGURWZABTYSQY-ZDRJDWQYSA-N 2 0 370.457 0.475 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O)C1CC[NH2+]CC1 ZINC001160156139 1223147607 /nfs/dbraw/zinc/14/76/07/1223147607.db2.gz OBONQPAWAONUDO-GOSISDBHSA-N 2 0 370.497 0.795 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C1CC3(C[NH2+]C3)C1)CCC2 ZINC001160373218 1223156813 /nfs/dbraw/zinc/15/68/13/1223156813.db2.gz XTQVBFDJJIKZDJ-UHFFFAOYSA-N 2 0 361.490 0.693 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356582 1223156846 /nfs/dbraw/zinc/15/68/46/1223156846.db2.gz DEXUJKDKDFVUIW-RDTXWAMCSA-N 2 0 364.446 0.179 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414855 1223157875 /nfs/dbraw/zinc/15/78/75/1223157875.db2.gz DWUWQGZTIQKNKE-YJBOKZPZSA-N 2 0 360.462 0.278 20 0 FCADRP O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160413358 1223158021 /nfs/dbraw/zinc/15/80/21/1223158021.db2.gz XPJMMSVUQULKNX-BKEDOTJMSA-N 2 0 358.442 0.152 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001160421615 1223159064 /nfs/dbraw/zinc/15/90/64/1223159064.db2.gz CEIKVMPNZMYLRZ-HAYURNKSSA-N 2 0 357.502 0.830 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423169 1223159156 /nfs/dbraw/zinc/15/91/56/1223159156.db2.gz KQLQSLNTENZJER-XGXHKWSGSA-N 2 0 357.502 0.702 20 0 FCADRP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160443322 1223159569 /nfs/dbraw/zinc/15/95/69/1223159569.db2.gz GEAZRCNWXXQWQB-MGPUTAFESA-N 2 0 354.454 0.518 20 0 FCADRP COC(=O)c1ccc(CN2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC2)cc1 ZINC001160568902 1223164751 /nfs/dbraw/zinc/16/47/51/1223164751.db2.gz JRWXKQXJPGUPFG-GOSISDBHSA-N 2 0 374.485 0.444 20 0 FCADRP NC(=[NH2+])NCCCCC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589371 1223165762 /nfs/dbraw/zinc/16/57/62/1223165762.db2.gz QDZQGWABTFSZLV-UHFFFAOYSA-N 2 0 358.446 0.496 20 0 FCADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001160697644 1223168692 /nfs/dbraw/zinc/16/86/92/1223168692.db2.gz BRXUEEJOZQPFGR-FHWLQOOXSA-N 2 0 372.513 0.924 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160705368 1223169312 /nfs/dbraw/zinc/16/93/12/1223169312.db2.gz WKLFZQNHJIVDSL-KRWDZBQOSA-N 3 0 357.502 0.405 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766789 1223171763 /nfs/dbraw/zinc/17/17/63/1223171763.db2.gz PAPRPIHPGYHXEF-XHSDSOJGSA-N 2 0 358.442 0.086 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779983 1223171787 /nfs/dbraw/zinc/17/17/87/1223171787.db2.gz LXQCGEOTBNRZQG-UWVAXJGDSA-N 2 0 358.486 0.476 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4c(n3)CC[NH2+]C4)C[C@H]1C2 ZINC001160804067 1223174052 /nfs/dbraw/zinc/17/40/52/1223174052.db2.gz QICSIPZQKGCGQI-ODCFSMADSA-N 2 0 370.453 0.198 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cncc4c3CC[NH2+]C4)C[C@H]1C2 ZINC001160804241 1223174155 /nfs/dbraw/zinc/17/41/55/1223174155.db2.gz UDDMURFZMNFTQY-VWHWKWRLSA-N 2 0 370.453 0.198 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@]3([NH3+])CCc4ccccc43)C[C@H]1C[NH2+]CC2 ZINC001160813191 1223175462 /nfs/dbraw/zinc/17/54/62/1223175462.db2.gz WENUIOSTKCHKJQ-CDHQVMDDSA-N 2 0 357.454 0.788 20 0 FCADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160825133 1223175872 /nfs/dbraw/zinc/17/58/72/1223175872.db2.gz VSFVUQHEYFSZPX-HIFRSBDPSA-N 2 0 361.446 0.273 20 0 FCADRP O=C(N1CCN(c2nc3ccccc3[nH]2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160893598 1223179597 /nfs/dbraw/zinc/17/95/97/1223179597.db2.gz FCBGGHWVEFFVTI-AUUYWEPGSA-N 2 0 354.458 0.411 20 0 FCADRP NC(=O)[C@H]1CCCN1c1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)ncn1 ZINC001160952315 1223181866 /nfs/dbraw/zinc/18/18/66/1223181866.db2.gz UCJQCMQQJWUKMS-OAHLLOKOSA-N 2 0 351.414 0.771 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160958125 1223182020 /nfs/dbraw/zinc/18/20/20/1223182020.db2.gz XOHBEAXBZCSIED-YUELXQCFSA-N 2 0 359.478 0.697 20 0 FCADRP NC1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001160999465 1223182714 /nfs/dbraw/zinc/18/27/14/1223182714.db2.gz FDMRUMBJPCHTQH-GOSISDBHSA-N 2 0 372.513 0.695 20 0 FCADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161009524 1223182905 /nfs/dbraw/zinc/18/29/05/1223182905.db2.gz WKKDYRBWRGIAJH-QRFRQXIXSA-N 2 0 370.497 0.428 20 0 FCADRP NC(=O)[C@@H]1CCCN1C(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001161034440 1223184310 /nfs/dbraw/zinc/18/43/10/1223184310.db2.gz IKTPPEMHTAKGJQ-LVCYWYKZSA-N 2 0 370.497 0.965 20 0 FCADRP N[C@]1(C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001161152330 1223188093 /nfs/dbraw/zinc/18/80/93/1223188093.db2.gz GUPKLAVLCKKZLV-OAHLLOKOSA-N 2 0 372.395 0.661 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196816 1223189281 /nfs/dbraw/zinc/18/92/81/1223189281.db2.gz SGNXGKLKWCRJDK-HKUYNNGSSA-N 2 0 366.550 0.925 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221536 1223189659 /nfs/dbraw/zinc/18/96/59/1223189659.db2.gz NKYCRKHHYPBEBD-JTOWHCCKSA-N 2 0 357.410 0.435 20 0 FCADRP CN(C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221945 1223190022 /nfs/dbraw/zinc/19/00/22/1223190022.db2.gz RHXDFDCZQGUCDQ-LVFSCSRESA-N 2 0 353.470 0.790 20 0 FCADRP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161245003 1223191809 /nfs/dbraw/zinc/19/18/09/1223191809.db2.gz AHLHLEBFCGTCBQ-MRXNPFEDSA-N 2 0 357.458 0.608 20 0 FCADRP [NH3+]C1CCN(c2ccnc(-n3ccncc3=N[C@H]3CC[C@H]([NH3+])CC3)n2)CC1 ZINC001161294352 1223194513 /nfs/dbraw/zinc/19/45/13/1223194513.db2.gz SQAGKTNIUANHRT-KOMQPUFPSA-N 2 0 368.489 0.760 20 0 FCADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])Cc2cncn2C)C2CC[NH2+]CC2)n1 ZINC001161309405 1223194785 /nfs/dbraw/zinc/19/47/85/1223194785.db2.gz PKHDPCFMTQPEMA-HNNXBMFYSA-N 2 0 373.461 0.182 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313262 1223194900 /nfs/dbraw/zinc/19/49/00/1223194900.db2.gz HSUVDRGMWYNXDH-HNNXBMFYSA-N 2 0 363.437 0.860 20 0 FCADRP COc1cc(C)nc(N(C(=O)CCCCNC(N)=[NH2+])C2CC[NH2+]CC2)n1 ZINC001161310250 1223194983 /nfs/dbraw/zinc/19/49/83/1223194983.db2.gz ZSTJYTJRHIHPQA-UHFFFAOYSA-N 2 0 363.466 0.532 20 0 FCADRP CC(C)N(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)[C@H]1CC[NH2+]C1 ZINC001161352244 1223196473 /nfs/dbraw/zinc/19/64/73/1223196473.db2.gz SMRIIXRJJYJYCI-HOTGVXAUSA-N 2 0 361.490 0.908 20 0 FCADRP COc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)ccn1 ZINC001161393577 1223197717 /nfs/dbraw/zinc/19/77/17/1223197717.db2.gz IDHSYSSMVWJXIN-HZPDHXFCSA-N 2 0 360.458 0.944 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161385988 1223197829 /nfs/dbraw/zinc/19/78/29/1223197829.db2.gz DITFHQACDVUXKR-SJCJKPOMSA-N 2 0 365.453 0.795 20 0 FCADRP COc1cc(O[C@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)ccn1 ZINC001161393578 1223198011 /nfs/dbraw/zinc/19/80/11/1223198011.db2.gz IDHSYSSMVWJXIN-JKSUJKDBSA-N 2 0 360.458 0.944 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379920 1223198079 /nfs/dbraw/zinc/19/80/79/1223198079.db2.gz RWBVBTIJDXLOEL-APWZRJJASA-N 3 0 363.550 0.474 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3cccnc3O[C@H]3CC[NH2+]C3)C2)CC1 ZINC001161381887 1223198133 /nfs/dbraw/zinc/19/81/33/1223198133.db2.gz QQUZROOFRVBPRV-CVEARBPZSA-N 2 0 359.474 0.460 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413595 1223198292 /nfs/dbraw/zinc/19/82/92/1223198292.db2.gz QPGBKEMKSARLEN-DXEWXGHRSA-N 2 0 371.437 0.954 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC001161412110 1223198356 /nfs/dbraw/zinc/19/83/56/1223198356.db2.gz GCEMMXHCJDGIBE-SPOWBLRKSA-N 2 0 371.437 0.867 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414428 1223198580 /nfs/dbraw/zinc/19/85/80/1223198580.db2.gz WUDRHHCIAPGBNC-PTOXDTDZSA-N 2 0 369.469 0.350 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412954 1223198661 /nfs/dbraw/zinc/19/86/61/1223198661.db2.gz MYFKBUQNDMRPAD-QRJUGERDSA-N 2 0 366.506 0.316 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001161443325 1223198884 /nfs/dbraw/zinc/19/88/84/1223198884.db2.gz QEHMPPXNENJHPY-RDJZCZTQSA-N 3 0 368.522 0.722 20 0 FCADRP O=C(N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161458090 1223199609 /nfs/dbraw/zinc/19/96/09/1223199609.db2.gz XULWHMJAUJRMHI-IIBYNOLFSA-N 2 0 368.481 0.663 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001161449812 1223199678 /nfs/dbraw/zinc/19/96/78/1223199678.db2.gz SUIWJFZWJPXQQC-FHWLQOOXSA-N 3 0 362.518 0.450 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161459497 1223200016 /nfs/dbraw/zinc/20/00/16/1223200016.db2.gz MMWAXOASPKWGCC-KRWDZBQOSA-N 2 0 354.458 0.858 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1cccnc1O[C@H]1CC[NH2+]C1)CC2 ZINC001161477682 1223200678 /nfs/dbraw/zinc/20/06/78/1223200678.db2.gz FYBLXYLOHHWTOD-RFUYNDQBSA-N 2 0 374.441 0.190 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001161478512 1223200913 /nfs/dbraw/zinc/20/09/13/1223200913.db2.gz ILHNGDUKVQMDKY-XLIONFOSSA-N 2 0 372.469 0.463 20 0 FCADRP Cc1ccc([C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)N2CCC[NH2+]CC2)cc1 ZINC001161509197 1223202357 /nfs/dbraw/zinc/20/23/57/1223202357.db2.gz IOBXGKLWEMJDSM-ZWKOTPCHSA-N 2 0 358.486 0.518 20 0 FCADRP C[N@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161501000 1223202734 /nfs/dbraw/zinc/20/27/34/1223202734.db2.gz WNIWHNRDGHMKOH-MMOPVJDHSA-N 2 0 370.497 0.644 20 0 FCADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162093855 1223210689 /nfs/dbraw/zinc/21/06/89/1223210689.db2.gz QKTJMGSCSUBZMK-UAGQMJEPSA-N 2 0 361.490 0.572 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191638 1223211370 /nfs/dbraw/zinc/21/13/70/1223211370.db2.gz WHPRZEIDYJVNMK-INIZCTEOSA-N 2 0 360.506 0.859 20 0 FCADRP COC(=O)[C@@H](Nc1ncc(C)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC)C(C)(C)[NH3+] ZINC001162942446 1223222151 /nfs/dbraw/zinc/22/21/51/1223222151.db2.gz MADCHKATCDTMFO-HZSPNIEDSA-N 2 0 364.446 0.557 20 0 FCADRP COC(=O)[C@H](C[NH3+])Cc1ccc(NCc2nnn3c2C[NH2+]CCC3)cc1 ZINC001162980307 1223223553 /nfs/dbraw/zinc/22/35/53/1223223553.db2.gz YFNOUYFANWZNQF-AWEZNQCLSA-N 2 0 358.446 0.674 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163087500 1223225659 /nfs/dbraw/zinc/22/56/59/1223225659.db2.gz MZOPSJQUESJYFQ-OAHLLOKOSA-N 2 0 361.490 0.944 20 0 FCADRP O=C1N[C@@H](c2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc2)CC12C[NH2+]C2 ZINC001163171790 1223227620 /nfs/dbraw/zinc/22/76/20/1223227620.db2.gz OCQSDFIECDFOEK-VDHUWJSZSA-N 2 0 356.470 0.874 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316126 1223229181 /nfs/dbraw/zinc/22/91/81/1223229181.db2.gz OPPZGNGERFEVNT-DNVCBOLYSA-N 2 0 374.489 0.624 20 0 FCADRP COC(=O)c1ccc([C@H]([NH3+])CNc2cncc(N3CC[NH2+]CC3)n2)cc1 ZINC001163463213 1223230780 /nfs/dbraw/zinc/23/07/80/1223230780.db2.gz WAACJCDKQVNBHM-OAHLLOKOSA-N 2 0 356.430 0.785 20 0 FCADRP COC(=O)c1ccc([C@@H]([NH3+])CNc2cncc(N3CC[NH2+]CC3)n2)cc1 ZINC001163463212 1223231008 /nfs/dbraw/zinc/23/10/08/1223231008.db2.gz WAACJCDKQVNBHM-HNNXBMFYSA-N 2 0 356.430 0.785 20 0 FCADRP [NH3+]C1CCN(c2ccnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)CC1 ZINC001163652944 1223233331 /nfs/dbraw/zinc/23/33/31/1223233331.db2.gz BDUSKCDIJPNRCS-HNNXBMFYSA-N 2 0 360.462 0.232 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+]CCc3ccnn3C)CC2)O1 ZINC001165728687 1223255160 /nfs/dbraw/zinc/25/51/60/1223255160.db2.gz QYVMLGJSNMHVBO-NVXWUHKLSA-N 2 0 363.506 0.558 20 0 FCADRP CCCC[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C(N)=O ZINC001165728828 1223255584 /nfs/dbraw/zinc/25/55/84/1223255584.db2.gz VOCBWROWGPILLI-BZUAXINKSA-N 2 0 368.522 0.626 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205306949 1223319564 /nfs/dbraw/zinc/31/95/64/1223319564.db2.gz HHHKMOQAIVMZSU-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001205334276 1223320043 /nfs/dbraw/zinc/32/00/43/1223320043.db2.gz JBPGDNUMVGCXLV-LSDHHAIUSA-N 2 0 367.494 0.001 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205499712 1223328342 /nfs/dbraw/zinc/32/83/42/1223328342.db2.gz LBNHRXBSTMWKEL-GVDBMIGSSA-N 2 0 371.497 0.598 20 0 FCADRP CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510763 1223329281 /nfs/dbraw/zinc/32/92/81/1223329281.db2.gz FWXCIWZWNQOLSB-ARFHVFGLSA-N 2 0 366.506 0.141 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205664045 1223334557 /nfs/dbraw/zinc/33/45/57/1223334557.db2.gz LJVHUSFOHQHWJR-JLJPHGGASA-N 2 0 364.465 0.925 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccc(=O)[nH]1)CC2 ZINC001207069113 1223411494 /nfs/dbraw/zinc/41/14/94/1223411494.db2.gz TWGKVJYCNUCXSP-UHFFFAOYSA-N 2 0 361.490 0.457 20 0 FCADRP Cn1ccnc1C(=O)N[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001207397720 1223443032 /nfs/dbraw/zinc/44/30/32/1223443032.db2.gz RCLPONWGBUBNPX-GVDBMIGSSA-N 2 0 361.490 0.724 20 0 FCADRP CNC(=O)[C@]12C[N@H+](CC3CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001207435707 1223446424 /nfs/dbraw/zinc/44/64/24/1223446424.db2.gz TUCIMQDMZOYRCO-VQIMIIECSA-N 2 0 358.490 0.493 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207967336 1223500861 /nfs/dbraw/zinc/50/08/61/1223500861.db2.gz YLZDIYJUIHLUFV-RHSMWYFYSA-N 2 0 370.457 0.796 20 0 FCADRP C[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425588 1223543647 /nfs/dbraw/zinc/54/36/47/1223543647.db2.gz OYVDAFBUFBFUOK-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001208599172 1223561994 /nfs/dbraw/zinc/56/19/94/1223561994.db2.gz ICZJRAHLLAIKRK-KBAYOESNSA-N 2 0 359.474 0.638 20 0 FCADRP COCCOCN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630369 1223609446 /nfs/dbraw/zinc/60/94/46/1223609446.db2.gz PRXIGLOFSFEUAF-LJQANCHMSA-N 2 0 368.522 0.169 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001209514241 1223626485 /nfs/dbraw/zinc/62/64/85/1223626485.db2.gz JDAOVHVLLFGMNB-BRWVUGGUSA-N 2 0 368.522 0.306 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209724187 1223644048 /nfs/dbraw/zinc/64/40/48/1223644048.db2.gz IWTXHUMQHLPWDI-KURKYZTESA-N 2 0 358.486 0.658 20 0 FCADRP C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830101 1223651593 /nfs/dbraw/zinc/65/15/93/1223651593.db2.gz QDWBQYABXLAXPS-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)nn1C ZINC001209837383 1223652936 /nfs/dbraw/zinc/65/29/36/1223652936.db2.gz XLSJHNBVQPYJBP-RDTXWAMCSA-N 2 0 363.506 0.776 20 0 FCADRP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298352 1223681546 /nfs/dbraw/zinc/68/15/46/1223681546.db2.gz ORUGTISIGBNXSH-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298303 1223681710 /nfs/dbraw/zinc/68/17/10/1223681710.db2.gz ODRXXDFOODEYKS-OLMNPRSZSA-N 2 0 367.465 0.874 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298730 1223681855 /nfs/dbraw/zinc/68/18/55/1223681855.db2.gz RYLHKQKYBVKMPF-KZNAEPCWSA-N 2 0 371.522 0.587 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426206 1223690216 /nfs/dbraw/zinc/69/02/16/1223690216.db2.gz CIHUANQOGHXRLV-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001211362463 1223737280 /nfs/dbraw/zinc/73/72/80/1223737280.db2.gz KFWGFNBFXAQHSS-KRWDZBQOSA-N 2 0 372.473 0.533 20 0 FCADRP C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444155 1223742360 /nfs/dbraw/zinc/74/23/60/1223742360.db2.gz QBUOISWGSWHMPA-HUUCEWRRSA-N 2 0 364.494 0.311 20 0 FCADRP CO[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213575918 1223816147 /nfs/dbraw/zinc/81/61/47/1223816147.db2.gz ANZAUJKYUJURKX-BZUAXINKSA-N 2 0 363.462 0.066 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1OC ZINC001213599157 1223820231 /nfs/dbraw/zinc/82/02/31/1223820231.db2.gz VDHYAMRBEDAEBJ-IAGOWNOFSA-N 2 0 366.510 0.606 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753234 1223844120 /nfs/dbraw/zinc/84/41/20/1223844120.db2.gz DKKURNAHAPVEFD-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335611 1223901990 /nfs/dbraw/zinc/90/19/90/1223901990.db2.gz DGCSNVJOTZVYKD-DFBGVHRSSA-N 2 0 362.478 0.496 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634260 1223928284 /nfs/dbraw/zinc/92/82/84/1223928284.db2.gz HKLCAJYIPUZRJS-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214648601 1223929253 /nfs/dbraw/zinc/92/92/53/1223929253.db2.gz QVMVXEYDTVMWCX-BPLDGKMQSA-N 2 0 361.446 0.391 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214661920 1223930028 /nfs/dbraw/zinc/93/00/28/1223930028.db2.gz KTDWYMYRDQLXCX-MUIFIZLQSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214662067 1223930309 /nfs/dbraw/zinc/93/03/09/1223930309.db2.gz SDZLRDLPBXPPAZ-KBUPBQIOSA-N 2 0 360.462 0.192 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001214780318 1223941652 /nfs/dbraw/zinc/94/16/52/1223941652.db2.gz UZHSDRXOQLFDPE-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214780404 1223941682 /nfs/dbraw/zinc/94/16/82/1223941682.db2.gz YNSBFKGSBGGKQW-RBSFLKMASA-N 2 0 363.462 0.924 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)no1 ZINC001214847889 1223948116 /nfs/dbraw/zinc/94/81/16/1223948116.db2.gz WSWFYLTUEJXRGE-TZMCWYRMSA-N 2 0 363.462 0.842 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122197 1223975311 /nfs/dbraw/zinc/97/53/11/1223975311.db2.gz MLUULATZCBZFBW-XJKCOSOUSA-N 2 0 356.430 0.452 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234523 1223984797 /nfs/dbraw/zinc/98/47/97/1223984797.db2.gz ZAIJZIQZXOTNSV-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298882 1223991222 /nfs/dbraw/zinc/99/12/22/1223991222.db2.gz LPMOHKJWHHUYAY-BRWVUGGUSA-N 2 0 371.522 0.321 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423368 1223998794 /nfs/dbraw/zinc/99/87/94/1223998794.db2.gz JCZTWMNCVGJIIT-QLFBSQMISA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001215453712 1224000203 /nfs/dbraw/zinc/00/02/03/1224000203.db2.gz OPJPPKMRBCQVOQ-DJIMGWMZSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001215461046 1224000503 /nfs/dbraw/zinc/00/05/03/1224000503.db2.gz PBNWOPZAKQAADL-MGPQQGTHSA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215568399 1224006671 /nfs/dbraw/zinc/00/66/71/1224006671.db2.gz OEAFEFJWMUMMDC-IXDOHACOSA-N 2 0 365.522 0.658 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001215599134 1224008667 /nfs/dbraw/zinc/00/86/67/1224008667.db2.gz SKECHFBDAXYUFA-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1)[NH+]1CCCC1 ZINC001215598856 1224008826 /nfs/dbraw/zinc/00/88/26/1224008826.db2.gz JZSDXVRTLBCITC-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001215598997 1224008958 /nfs/dbraw/zinc/00/89/58/1224008958.db2.gz MREXGSALVIHRNU-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215862272 1224021114 /nfs/dbraw/zinc/02/11/14/1224021114.db2.gz YWMVONDPRRZWNQ-NVXWUHKLSA-N 2 0 367.494 0.158 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1 ZINC001215989431 1224029057 /nfs/dbraw/zinc/02/90/57/1224029057.db2.gz BGWQCKZHCPQWLN-UKRRQHHQSA-N 2 0 364.494 0.445 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216001989 1224029390 /nfs/dbraw/zinc/02/93/90/1224029390.db2.gz NFSASWBVNIMAAU-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090158 1224033548 /nfs/dbraw/zinc/03/35/48/1224033548.db2.gz AYNMPBIDFKCBTR-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214176 1224039107 /nfs/dbraw/zinc/03/91/07/1224039107.db2.gz XSDOQPIPOBYSFM-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216382920 1224047722 /nfs/dbraw/zinc/04/77/22/1224047722.db2.gz FCERBXWJGYSQGW-RBSFLKMASA-N 2 0 360.462 0.193 20 0 FCADRP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402238 1224049072 /nfs/dbraw/zinc/04/90/72/1224049072.db2.gz YIXMXXVCCGKHBJ-NVXWUHKLSA-N 2 0 364.490 0.995 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001216490656 1224053271 /nfs/dbraw/zinc/05/32/71/1224053271.db2.gz IWSAZUNALQGOGD-IXDOHACOSA-N 2 0 370.538 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216754537 1224069118 /nfs/dbraw/zinc/06/91/18/1224069118.db2.gz ZTZKXIRQFBDSIF-HYVNUMGLSA-N 2 0 359.474 0.086 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757738 1224069464 /nfs/dbraw/zinc/06/94/64/1224069464.db2.gz KMAURFMHRIJHCG-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216758202 1224069575 /nfs/dbraw/zinc/06/95/75/1224069575.db2.gz ZLSWAYXXEXSBBF-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216840775 1224077470 /nfs/dbraw/zinc/07/74/70/1224077470.db2.gz FMPZLAVDZBEPPS-HUUCEWRRSA-N 2 0 363.462 0.926 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216851656 1224079311 /nfs/dbraw/zinc/07/93/11/1224079311.db2.gz FFUSQJWFSNSUTQ-ZIAGYGMSSA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001216980709 1224083157 /nfs/dbraw/zinc/08/31/57/1224083157.db2.gz PCFJJGCAMMFCPV-HUUCEWRRSA-N 2 0 364.494 0.311 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001217011080 1224084565 /nfs/dbraw/zinc/08/45/65/1224084565.db2.gz XFVJTNRPXWHTQB-BFYDXBDKSA-N 2 0 362.430 0.490 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982281940 1248776630 /nfs/dbraw/zinc/77/66/30/1248776630.db2.gz DXVVCDUCWHZNTR-BIQFIRCYSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000987515225 1249069066 /nfs/dbraw/zinc/06/90/66/1249069066.db2.gz BGNKNKONUPDJER-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993585468 1249740171 /nfs/dbraw/zinc/74/01/71/1249740171.db2.gz MMWZHQARCRJSBK-MGPQQGTHSA-N 2 0 365.453 0.673 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C)CC2)ccc1N1CC[NH+](C)CC1 ZINC000048774027 1245297710 /nfs/dbraw/zinc/29/77/10/1245297710.db2.gz ZJYIIIHIYIZPJR-UHFFFAOYSA-N 2 0 373.501 0.896 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000849062569 1245391533 /nfs/dbraw/zinc/39/15/33/1245391533.db2.gz PTMZWCSKOCORGD-MRXNPFEDSA-N 2 0 360.510 0.149 20 0 FCADRP NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000849089109 1245391954 /nfs/dbraw/zinc/39/19/54/1245391954.db2.gz UIXHASCSQOYKNX-DLBZAZTESA-N 2 0 359.474 0.798 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891511456 1245451973 /nfs/dbraw/zinc/45/19/73/1245451973.db2.gz CKOHSXQDJXDQPB-JKSUJKDBSA-N 2 0 361.494 0.510 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C1 ZINC000891531286 1245452943 /nfs/dbraw/zinc/45/29/43/1245452943.db2.gz ZYADSCWAXSKWBJ-BZSNNMDCSA-N 2 0 371.485 0.640 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575907 1245455010 /nfs/dbraw/zinc/45/50/10/1245455010.db2.gz IUOUNTOQUDHOJT-JJXSEGSLSA-N 2 0 363.462 0.047 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563226 1245455507 /nfs/dbraw/zinc/45/55/07/1245455507.db2.gz BFKPWNGOTRLXEW-IAGOWNOFSA-N 2 0 367.538 0.470 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556042 1245512764 /nfs/dbraw/zinc/51/27/64/1245512764.db2.gz INSRHHINUPEWGR-HZPDHXFCSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000915785600 1245529269 /nfs/dbraw/zinc/52/92/69/1245529269.db2.gz PZSZJDVIUZRJBG-OAHLLOKOSA-N 2 0 361.490 0.833 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475661 1245557480 /nfs/dbraw/zinc/55/74/80/1245557480.db2.gz CNRYOLOHPBJKSA-MSOLQXFVSA-N 2 0 373.501 0.887 20 0 FCADRP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000919517003 1245606393 /nfs/dbraw/zinc/60/63/93/1245606393.db2.gz FVKJTUKLGVLTHS-SJORKVTESA-N 2 0 367.538 0.946 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366863 1245712899 /nfs/dbraw/zinc/71/28/99/1245712899.db2.gz PLPMKRFITBULOU-ROUUACIJSA-N 2 0 362.474 0.364 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366865 1245713742 /nfs/dbraw/zinc/71/37/42/1245713742.db2.gz PLPMKRFITBULOU-ZWKOTPCHSA-N 2 0 362.474 0.364 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000939330543 1246036470 /nfs/dbraw/zinc/03/64/70/1246036470.db2.gz WLKMEEIZFCQGSW-LTIDMASMSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880179 1246183105 /nfs/dbraw/zinc/18/31/05/1246183105.db2.gz ITJUFICNHAGOHM-FHLIZLRMSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880180 1246183383 /nfs/dbraw/zinc/18/33/83/1246183383.db2.gz ITJUFICNHAGOHM-ZTFGCOKTSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@@H]4CCCO4)C3)CC2)CC[N@@H+]1C ZINC000941413121 1246609380 /nfs/dbraw/zinc/60/93/80/1246609380.db2.gz QJQBNIYQWCCVRF-NZSAHSFTSA-N 2 0 364.534 0.724 20 0 FCADRP Cc1cncn1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000941638465 1246742090 /nfs/dbraw/zinc/74/20/90/1246742090.db2.gz NNGGJWSDHFQVKF-HZPDHXFCSA-N 2 0 370.457 0.790 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552815 1247128936 /nfs/dbraw/zinc/12/89/36/1247128936.db2.gz NHTZVBINJPOQTC-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000942596036 1247154103 /nfs/dbraw/zinc/15/41/03/1247154103.db2.gz QAQMYELIMWCGRJ-OWCLPIDISA-N 2 0 366.506 0.297 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000944149928 1247486525 /nfs/dbraw/zinc/48/65/25/1247486525.db2.gz OULGUUODYSTPMQ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC1 ZINC000974904821 1248184700 /nfs/dbraw/zinc/18/47/00/1248184700.db2.gz AROASRJLWVVWKK-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000976561174 1248243609 /nfs/dbraw/zinc/24/36/09/1248243609.db2.gz PWGUZWAKLMPZGB-YGTFVGLLSA-N 2 0 360.502 0.241 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+]1C ZINC000976757810 1248392002 /nfs/dbraw/zinc/39/20/02/1248392002.db2.gz XHQFVBCHBYUEMP-IOAAYWBKSA-N 2 0 357.458 0.426 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1 ZINC000994335044 1250382676 /nfs/dbraw/zinc/38/26/76/1250382676.db2.gz FPLGWPPQBFNQNJ-BRWVUGGUSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994334999 1250382997 /nfs/dbraw/zinc/38/29/97/1250382997.db2.gz FDYLUYMXHCCIRY-HZPDHXFCSA-N 2 0 360.502 0.389 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328184295 1265499660 /nfs/dbraw/zinc/49/96/60/1265499660.db2.gz KPZFBKZYWXNFGG-GOSISDBHSA-N 2 0 367.538 0.519 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC000996611855 1251403773 /nfs/dbraw/zinc/40/37/73/1251403773.db2.gz OGBLPAMEAPCRRL-JKSUJKDBSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC[NH+](CCO)CC1 ZINC000997094725 1251494202 /nfs/dbraw/zinc/49/42/02/1251494202.db2.gz XRIAXIBWXQCWPN-LZQZEXGQSA-N 2 0 367.534 0.942 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC000997884124 1251733944 /nfs/dbraw/zinc/73/39/44/1251733944.db2.gz BMNHKSUKCPZMNL-OWSLCNJRSA-N 2 0 362.518 0.917 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998559023 1251910826 /nfs/dbraw/zinc/91/08/26/1251910826.db2.gz KTURLZZXTPJBGU-QZWWFDLISA-N 2 0 360.502 0.957 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000998668993 1251947324 /nfs/dbraw/zinc/94/73/24/1251947324.db2.gz NQWNHLWBINCIFR-DEICHXMPSA-N 2 0 371.485 0.961 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC1 ZINC001003745311 1253088634 /nfs/dbraw/zinc/08/86/34/1253088634.db2.gz IHSBTOVOKJTZAM-KURKYZTESA-N 2 0 362.518 0.918 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]12CC[N@H+](C1)CCC2)C12CC[NH+](CC1)C2 ZINC001004392707 1253311458 /nfs/dbraw/zinc/31/14/58/1253311458.db2.gz WWNTZDVMLSCAOS-VWXURSGXSA-N 2 0 372.513 0.816 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392379 1253312142 /nfs/dbraw/zinc/31/21/42/1253312142.db2.gz TXJBQABFHJYJRH-HZMVEIRTSA-N 2 0 360.502 0.815 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001004422202 1253320353 /nfs/dbraw/zinc/32/03/53/1253320353.db2.gz NQWNHLWBINCIFR-MMNPAVHPSA-N 2 0 371.485 0.961 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001026497393 1253845531 /nfs/dbraw/zinc/84/55/31/1253845531.db2.gz XJODMFAYRCIAHZ-PFSRBDOWSA-N 2 0 364.494 0.356 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967087 1254089296 /nfs/dbraw/zinc/08/92/96/1254089296.db2.gz PAZDYSSTQIYCQR-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001061601132 1254190215 /nfs/dbraw/zinc/19/02/15/1254190215.db2.gz ZJJFFFAOYPHYNI-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001061651361 1254198096 /nfs/dbraw/zinc/19/80/96/1254198096.db2.gz OAQNGFZHTZEDBJ-YESZJQIVSA-N 2 0 368.522 0.401 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061675683 1254203371 /nfs/dbraw/zinc/20/33/71/1254203371.db2.gz SOGSRMFBVYZYOW-BZUAXINKSA-N 2 0 368.522 0.401 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061828817 1254227801 /nfs/dbraw/zinc/22/78/01/1254227801.db2.gz DKSXXMRCOUUYIG-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001065212730 1254494757 /nfs/dbraw/zinc/49/47/57/1254494757.db2.gz UOXFVSGZOWNAFU-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975756 1255139662 /nfs/dbraw/zinc/13/96/62/1255139662.db2.gz ZUCQXUMHVHNQFX-QXAKKESOSA-N 2 0 365.518 0.696 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978580 1255141803 /nfs/dbraw/zinc/14/18/03/1255141803.db2.gz KFRMIEVHOGTMLU-QXAKKESOSA-N 2 0 365.518 0.696 20 0 FCADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005935 1255162418 /nfs/dbraw/zinc/16/24/18/1255162418.db2.gz NIWDXVBAVARNFA-KVSKMBFKSA-N 2 0 360.502 0.756 20 0 FCADRP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078008647 1255163350 /nfs/dbraw/zinc/16/33/50/1255163350.db2.gz ONYZHIAJAQONOS-QXAKKESOSA-N 2 0 361.486 0.877 20 0 FCADRP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078008485 1255164018 /nfs/dbraw/zinc/16/40/18/1255164018.db2.gz HJQRZVZERMKUFB-QXAKKESOSA-N 2 0 361.486 0.877 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008760 1255165815 /nfs/dbraw/zinc/16/58/15/1255165815.db2.gz WBPFIKGLUMXZFC-QXAKKESOSA-N 2 0 361.486 0.741 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CCC1 ZINC001078017925 1255173838 /nfs/dbraw/zinc/17/38/38/1255173838.db2.gz FASDJYRYUTZAMV-KBAYOESNSA-N 2 0 362.474 0.738 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176055 1255289642 /nfs/dbraw/zinc/28/96/42/1255289642.db2.gz YTMQKYQKOFJKMC-RCCFBDPRSA-N 2 0 359.470 0.277 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)c1 ZINC001078224713 1255338284 /nfs/dbraw/zinc/33/82/84/1255338284.db2.gz WBNAYTSRNORBNM-RTBURBONSA-N 2 0 361.486 0.950 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079189151 1255468502 /nfs/dbraw/zinc/46/85/02/1255468502.db2.gz FQAZLSKAIHTIIM-BBWFWOEESA-N 2 0 362.449 0.679 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079187668 1255468868 /nfs/dbraw/zinc/46/88/68/1255468868.db2.gz SGZVKFOCIYAVQZ-JZXOWHBKSA-N 2 0 364.465 0.781 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079206007 1255471796 /nfs/dbraw/zinc/47/17/96/1255471796.db2.gz QILMKUPMJOHFNU-RRQGHBQHSA-N 2 0 362.449 0.537 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079242352 1255484718 /nfs/dbraw/zinc/48/47/18/1255484718.db2.gz VCUBNWIZHIDTCP-FGTMMUONSA-N 2 0 363.502 0.260 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)Cn3ccnc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273375 1255497143 /nfs/dbraw/zinc/49/71/43/1255497143.db2.gz AVHBAWBJXPDBMB-DLBZAZTESA-N 2 0 362.474 0.777 20 0 FCADRP Cc1nccn1CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079273618 1255497381 /nfs/dbraw/zinc/49/73/81/1255497381.db2.gz GSAOVGVQGLRXEY-HYVNUMGLSA-N 2 0 362.474 0.512 20 0 FCADRP CC[NH+]1CCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273769 1255497563 /nfs/dbraw/zinc/49/75/63/1255497563.db2.gz PHCYJGAHHVIIBR-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1F ZINC001079318616 1255507187 /nfs/dbraw/zinc/50/71/87/1255507187.db2.gz OSNVMPSQMZZHST-GOEBONIOSA-N 2 0 360.433 0.291 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079849786 1255632419 /nfs/dbraw/zinc/63/24/19/1255632419.db2.gz ZDTPUFLBTUDDJH-IXDOHACOSA-N 2 0 365.522 0.711 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013345 1255706349 /nfs/dbraw/zinc/70/63/49/1255706349.db2.gz CLEJOMPZJGRHMD-CXAGYDPISA-N 2 0 370.457 0.718 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037635 1255720052 /nfs/dbraw/zinc/72/00/52/1255720052.db2.gz PNIZSBPIRRRKJZ-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039105 1255720192 /nfs/dbraw/zinc/72/01/92/1255720192.db2.gz WIKCTFSJRZYRRU-HUUCEWRRSA-N 2 0 362.474 0.200 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456080 1255897624 /nfs/dbraw/zinc/89/76/24/1255897624.db2.gz MXHAYIYMAZZJSL-OWCLPIDISA-N 2 0 360.506 0.934 20 0 FCADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554477 1255930155 /nfs/dbraw/zinc/93/01/55/1255930155.db2.gz RGJHEUSSCIICOC-BRWVUGGUSA-N 2 0 365.522 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001081001033 1256132867 /nfs/dbraw/zinc/13/28/67/1256132867.db2.gz LGYRSYGJJMFSJD-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081095822 1256175233 /nfs/dbraw/zinc/17/52/33/1256175233.db2.gz WGHZREKIANCNFP-IPMKNSEASA-N 2 0 368.485 0.957 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081150871 1256193272 /nfs/dbraw/zinc/19/32/72/1256193272.db2.gz IBYLGTACTSOUAU-FIKVRJJBSA-N 2 0 371.481 0.426 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001081178193 1256200538 /nfs/dbraw/zinc/20/05/38/1256200538.db2.gz KKYBCMSEZMQBLB-DLBZAZTESA-N 2 0 358.486 0.788 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213979 1256207435 /nfs/dbraw/zinc/20/74/35/1256207435.db2.gz YHFYYXWWXPVACT-RCCFBDPRSA-N 2 0 370.497 0.930 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081231201 1256213205 /nfs/dbraw/zinc/21/32/05/1256213205.db2.gz DDHIYVIRWRAJFB-KSZLIROESA-N 2 0 358.486 0.930 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694997 1256337843 /nfs/dbraw/zinc/33/78/43/1256337843.db2.gz WPWPCEXYMUJDDZ-QBPKDAKJSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932374 1256459197 /nfs/dbraw/zinc/45/91/97/1256459197.db2.gz BOTVFEYRXHLBJJ-IAOVAPTHSA-N 2 0 359.430 0.731 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082517994 1256802384 /nfs/dbraw/zinc/80/23/84/1256802384.db2.gz SYXRPNKAAYOMHR-GDBMZVCRSA-N 2 0 359.478 0.429 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001082522523 1256805248 /nfs/dbraw/zinc/80/52/48/1256805248.db2.gz MVZDLFFWVURRDM-YYIAUSFCSA-N 2 0 366.506 0.012 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082558293 1256857184 /nfs/dbraw/zinc/85/71/84/1256857184.db2.gz JOCRGBHIUVOHGF-BRWVUGGUSA-N 2 0 365.522 0.711 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)ccc2c[nH+]cn21 ZINC001082609852 1256920260 /nfs/dbraw/zinc/92/02/60/1256920260.db2.gz KTVGMCXSFHJKDK-CXAGYDPISA-N 2 0 370.457 0.718 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082612360 1256923428 /nfs/dbraw/zinc/92/34/28/1256923428.db2.gz JQBITEQJFPTKKM-RBSFLKMASA-N 2 0 364.494 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082617400 1256927581 /nfs/dbraw/zinc/92/75/81/1256927581.db2.gz RBWXDUUWNNQJDE-IXDOHACOSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082663433 1256966343 /nfs/dbraw/zinc/96/63/43/1256966343.db2.gz NZIFMKONHSVEPD-SUMDDJOVSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082698768 1256992245 /nfs/dbraw/zinc/99/22/45/1256992245.db2.gz ZXZBAFKHNMWCNU-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082705424 1256996638 /nfs/dbraw/zinc/99/66/38/1256996638.db2.gz BVXKBLSMEROTJZ-FXUDXRNXSA-N 2 0 364.490 0.302 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001082835768 1257092415 /nfs/dbraw/zinc/09/24/15/1257092415.db2.gz VMHWWCHFQZQLSK-VNQPRFMTSA-N 2 0 364.490 0.349 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082923482 1257148213 /nfs/dbraw/zinc/14/82/13/1257148213.db2.gz LKLWOLOEVVRTDL-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083833522 1257587254 /nfs/dbraw/zinc/58/72/54/1257587254.db2.gz GNUOZIAODGNQOY-MSOLQXFVSA-N 2 0 363.506 0.393 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2O)cn1 ZINC001083850913 1257607220 /nfs/dbraw/zinc/60/72/20/1257607220.db2.gz BSRWPVUHGOMZSJ-MSOLQXFVSA-N 2 0 363.506 0.800 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936917 1257722152 /nfs/dbraw/zinc/72/21/52/1257722152.db2.gz BSYUUYINYBOKJN-OTWHNJEPSA-N 2 0 365.518 0.839 20 0 FCADRP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1C ZINC001083959005 1257749775 /nfs/dbraw/zinc/74/97/75/1257749775.db2.gz AQSLIQNFZXZCEX-SJORKVTESA-N 2 0 359.470 0.761 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959330 1257749951 /nfs/dbraw/zinc/74/99/51/1257749951.db2.gz RLLZLDUPUAMCLM-MSOLQXFVSA-N 2 0 371.481 0.421 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001084090833 1257915568 /nfs/dbraw/zinc/91/55/68/1257915568.db2.gz KXSHQPNZTUVNPK-IPELMVKDSA-N 2 0 361.486 0.950 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409902 1258087917 /nfs/dbraw/zinc/08/79/17/1258087917.db2.gz OIWMCWOEPLDDDT-DJIMGWMZSA-N 2 0 358.490 0.782 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001084661025 1258223895 /nfs/dbraw/zinc/22/38/95/1258223895.db2.gz CPWMLQUYBBOYLM-BMGDILEWSA-N 2 0 360.506 0.912 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778279 1258319976 /nfs/dbraw/zinc/31/99/76/1258319976.db2.gz OJONMVPBTMFLDW-BZUAXINKSA-N 2 0 356.474 0.394 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)n1 ZINC001084906005 1258431183 /nfs/dbraw/zinc/43/11/83/1258431183.db2.gz XAMFCVHIACNJOH-SQNIBIBYSA-N 2 0 360.506 0.912 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CC4)[C@H]3C2)CC[N@@H+]1C ZINC001084944826 1258456936 /nfs/dbraw/zinc/45/69/36/1258456936.db2.gz PFLIGUFBOMOPOS-SPUZQDLCSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cncn4)[C@H]3C2)CC[N@@H+]1C ZINC001085016899 1258521809 /nfs/dbraw/zinc/52/18/09/1258521809.db2.gz UQHAADHQXDPSLQ-MHORFTMASA-N 2 0 360.506 0.931 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085093672 1258587444 /nfs/dbraw/zinc/58/74/44/1258587444.db2.gz TZBHJUYPYDZJKR-KSZLIROESA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001085204202 1258628899 /nfs/dbraw/zinc/62/88/99/1258628899.db2.gz BCOWEQJDMJWVPB-YLFCFFPRSA-N 2 0 365.522 0.759 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086734600 1258633113 /nfs/dbraw/zinc/63/31/13/1258633113.db2.gz MINRQQZYBMEIBP-XHSDSOJGSA-N 2 0 363.510 0.942 20 0 FCADRP C[NH+](C)[C@@](C)(C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)c1ccccc1 ZINC001088166971 1258680948 /nfs/dbraw/zinc/68/09/48/1258680948.db2.gz AZICMWZLRJMFRV-GQIGUUNPSA-N 2 0 358.486 0.729 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088200000 1258722248 /nfs/dbraw/zinc/72/22/48/1258722248.db2.gz LDZNGOQBRYGDMS-ZACQAIPSSA-N 2 0 360.506 0.838 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816997 1258853300 /nfs/dbraw/zinc/85/33/00/1258853300.db2.gz JZCIUHZVOVQIJP-RBSFLKMASA-N 2 0 370.457 0.700 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660850 1258922915 /nfs/dbraw/zinc/92/29/15/1258922915.db2.gz ZKTOKQOHQUVTLW-MLYOOKFZSA-N 2 0 367.534 0.941 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599153 1258927222 /nfs/dbraw/zinc/92/72/22/1258927222.db2.gz AQQFAKPLEMQQRL-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106634623 1258930165 /nfs/dbraw/zinc/93/01/65/1258930165.db2.gz ILUCOVWBRMQXLP-JFIYKMOQSA-N 2 0 370.538 0.409 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665093 1258936135 /nfs/dbraw/zinc/93/61/35/1258936135.db2.gz HSPCUXLGYMBGRU-JFIYKMOQSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1)[NH+](C)C ZINC001106673134 1258937936 /nfs/dbraw/zinc/93/79/36/1258937936.db2.gz DLVQOZXOKMJMHT-YUELXQCFSA-N 2 0 365.478 0.946 20 0 FCADRP C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752241 1258954486 /nfs/dbraw/zinc/95/44/86/1258954486.db2.gz RWQJTDZCTCJPCA-IXDOHACOSA-N 2 0 365.522 0.903 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106840091 1258973790 /nfs/dbraw/zinc/97/37/90/1258973790.db2.gz XMVRNWJFWDHPIG-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106840500 1258975015 /nfs/dbraw/zinc/97/50/15/1258975015.db2.gz QDPUYXCNXOKUOQ-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882415 1258987546 /nfs/dbraw/zinc/98/75/46/1258987546.db2.gz UWHWQEPPSIWDBG-IXDOHACOSA-N 2 0 370.538 0.504 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884449 1258987829 /nfs/dbraw/zinc/98/78/29/1258987829.db2.gz FJPLFHHSJYDZDH-IXDOHACOSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884448 1258987842 /nfs/dbraw/zinc/98/78/42/1258987842.db2.gz FJPLFHHSJYDZDH-BRWVUGGUSA-N 2 0 364.534 0.927 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1 ZINC001106905965 1258992910 /nfs/dbraw/zinc/99/29/10/1258992910.db2.gz PYSNEOIFFADCGJ-HUUCEWRRSA-N 2 0 367.494 0.784 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106910991 1258994448 /nfs/dbraw/zinc/99/44/48/1258994448.db2.gz ZKHXTJZKWZJQBD-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001107030770 1259021379 /nfs/dbraw/zinc/02/13/79/1259021379.db2.gz WGCHXWZWWFODNW-BZUAXINKSA-N 2 0 364.490 0.352 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540281 1259164333 /nfs/dbraw/zinc/16/43/33/1259164333.db2.gz OLLPYGZARCHFGU-NSHGMRRFSA-N 2 0 367.534 0.944 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570768 1259180129 /nfs/dbraw/zinc/18/01/29/1259180129.db2.gz FDIQJFAJABWKCE-UAGQMJEPSA-N 2 0 368.522 0.354 20 0 FCADRP Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571001 1259180155 /nfs/dbraw/zinc/18/01/55/1259180155.db2.gz KBRQZEDSFQQRIO-AEFFLSMTSA-N 2 0 361.490 0.738 20 0 FCADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570962 1259180569 /nfs/dbraw/zinc/18/05/69/1259180569.db2.gz HSBWBXXYOJWKNA-SJORKVTESA-N 2 0 364.494 0.251 20 0 FCADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570752 1259180577 /nfs/dbraw/zinc/18/05/77/1259180577.db2.gz DYFARJBOPOQTNI-ZACQAIPSSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)CC[N@@H+]1C ZINC001127638169 1259182600 /nfs/dbraw/zinc/18/26/00/1259182600.db2.gz FRRPZPWRFUXEAF-CHWSQXEVSA-N 2 0 365.478 0.957 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001127659789 1259184515 /nfs/dbraw/zinc/18/45/15/1259184515.db2.gz KZPSYQGAAUVSDO-RHSMWYFYSA-N 2 0 364.465 0.830 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001127695253 1259184616 /nfs/dbraw/zinc/18/46/16/1259184616.db2.gz HAICZEBMQOHJSM-DLBZAZTESA-N 2 0 364.465 0.878 20 0 FCADRP CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127701890 1259185297 /nfs/dbraw/zinc/18/52/97/1259185297.db2.gz ZRYAXBXKQQKKPX-LSDHHAIUSA-N 2 0 364.494 0.668 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060083 1259300187 /nfs/dbraw/zinc/30/01/87/1259300187.db2.gz IOERRMDGVBLLAQ-IKGGRYGDSA-N 2 0 366.510 0.632 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072016 1259305548 /nfs/dbraw/zinc/30/55/48/1259305548.db2.gz SNEIXZZHJZOFAZ-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080479 1259307220 /nfs/dbraw/zinc/30/72/20/1259307220.db2.gz QCYUZTLIHQZUSA-SJORKVTESA-N 2 0 357.462 0.950 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200554924 1259416412 /nfs/dbraw/zinc/41/64/12/1259416412.db2.gz MZYPCONTIXANBA-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707499 1259427212 /nfs/dbraw/zinc/42/72/12/1259427212.db2.gz WMKAZZNPCYMZPS-BPQIPLTHSA-N 2 0 358.486 0.658 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418260 1259497572 /nfs/dbraw/zinc/49/75/72/1259497572.db2.gz GDOIVIITPJTGMZ-KZNAEPCWSA-N 2 0 371.522 0.320 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418827 1259499378 /nfs/dbraw/zinc/49/93/78/1259499378.db2.gz NJDRPDKMWLLZSU-RCCFBDPRSA-N 2 0 369.506 0.482 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461364 1259513804 /nfs/dbraw/zinc/51/38/04/1259513804.db2.gz WNLWZDANNXGUFG-IAGOWNOFSA-N 2 0 371.522 0.587 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1OC)[NH+](C)C ZINC001212462822 1259516239 /nfs/dbraw/zinc/51/62/39/1259516239.db2.gz KXELHUHTKPEEFA-BRWVUGGUSA-N 2 0 366.510 0.604 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216230047 1259536974 /nfs/dbraw/zinc/53/69/74/1259536974.db2.gz WLZKGGWXBIOKCQ-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP C[C@@H]1CNCC(F)(F)[C@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206122 1259569276 /nfs/dbraw/zinc/56/92/76/1259569276.db2.gz RSBWRKHQISQVDF-CABCVRRESA-N 2 0 371.476 0.951 20 0 FCADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235192669 1259569545 /nfs/dbraw/zinc/56/95/45/1259569545.db2.gz FTPASDBSPWMMJN-LJQANCHMSA-N 2 0 361.490 0.072 20 0 FCADRP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235614077 1259581065 /nfs/dbraw/zinc/58/10/65/1259581065.db2.gz CEBOPVGQMBBJIX-RDJZCZTQSA-N 2 0 362.522 0.732 20 0 FCADRP c1cnc(Oc2cccc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2)nc1 ZINC001235870239 1259582136 /nfs/dbraw/zinc/58/21/36/1259582136.db2.gz HSDGVLGVQIWNTD-UHFFFAOYSA-N 2 0 356.474 0.853 20 0 FCADRP c1cc(OC2CCOCC2)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870031 1259583188 /nfs/dbraw/zinc/58/31/88/1259583188.db2.gz KORMBPRGNNVJMD-UHFFFAOYSA-N 2 0 362.518 0.829 20 0 FCADRP CCOC(=O)[C@]12C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]1C[NH2+]CC2 ZINC001236039346 1259587642 /nfs/dbraw/zinc/58/76/42/1259587642.db2.gz RNEVSLOJWZUNJG-CRAIPNDOSA-N 2 0 356.430 0.841 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@H]1C2 ZINC001236030119 1259587821 /nfs/dbraw/zinc/58/78/21/1259587821.db2.gz NLHXOAJRNFFQBN-GJRWTSMGSA-N 2 0 355.442 0.799 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(N2CCCCC2)n1 ZINC001236312709 1259588715 /nfs/dbraw/zinc/58/87/15/1259588715.db2.gz ZWBYOOGIXBVLPB-UHFFFAOYSA-N 2 0 362.522 0.688 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(N2CCOCC2)c1 ZINC001236310972 1259589433 /nfs/dbraw/zinc/58/94/33/1259589433.db2.gz CTKNGQSSFLKEFF-UHFFFAOYSA-N 2 0 363.506 0.139 20 0 FCADRP CCn1cncc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001237588868 1259605111 /nfs/dbraw/zinc/60/51/11/1259605111.db2.gz MCKOPAVCKRKZNR-UHFFFAOYSA-N 2 0 362.522 0.573 20 0 FCADRP COC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239214919 1259622961 /nfs/dbraw/zinc/62/29/61/1259622961.db2.gz IQVZQWVIXNMALY-SJORKVTESA-N 2 0 374.485 0.944 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)N[C@@H]1CCCc2ccccc21 ZINC001239297946 1259624418 /nfs/dbraw/zinc/62/44/18/1259624418.db2.gz VWVQBWWXKVSUMD-QGZVFWFLSA-N 2 0 361.490 0.889 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1=O ZINC001335369730 1259629264 /nfs/dbraw/zinc/62/92/64/1259629264.db2.gz HOCZGQLZNJWLST-HZMVEIRTSA-N 2 0 350.507 0.585 20 0 FCADRP COC(=O)[C@H](C[NH3+])Cc1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241900093 1259632255 /nfs/dbraw/zinc/63/22/55/1259632255.db2.gz LTNXMVFUGRFBGK-INIZCTEOSA-N 2 0 355.442 0.844 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3ncnc4c3CC[NH2+]C4)cc2)CC1 ZINC001242094904 1259634058 /nfs/dbraw/zinc/63/40/58/1259634058.db2.gz WBOKPHVNKQJHGD-UHFFFAOYSA-N 2 0 352.442 0.682 20 0 FCADRP COc1cc(N2CC[NH2+]CC2)ccc1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001244285227 1259638957 /nfs/dbraw/zinc/63/89/57/1259638957.db2.gz ISVOBYHSFARZMV-UHFFFAOYSA-N 2 0 354.458 0.971 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245984729 1259643114 /nfs/dbraw/zinc/64/31/14/1259643114.db2.gz XVCXYAZQDNHBAP-YYIAUSFCSA-N 2 0 371.428 0.326 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246025974 1259643272 /nfs/dbraw/zinc/64/32/72/1259643272.db2.gz CSIHTQYKMATFRR-GOSISDBHSA-N 2 0 363.502 0.643 20 0 FCADRP O[C@H](C[NH2+]CC1(c2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246006992 1259643760 /nfs/dbraw/zinc/64/37/60/1259643760.db2.gz MALRTYOLXJIRQA-INIZCTEOSA-N 3 0 365.493 0.902 20 0 FCADRP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC001335400327 1259646170 /nfs/dbraw/zinc/64/61/70/1259646170.db2.gz PWOMAKJGEIOJJM-AEFFLSMTSA-N 2 0 351.491 0.798 20 0 FCADRP O[C@H](COc1cccc2ccccc21)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058550 1259646656 /nfs/dbraw/zinc/64/66/56/1259646656.db2.gz XEDYAJQJEYAWRB-IBGZPJMESA-N 2 0 372.513 0.664 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N[C@H]1C[NH2+]CC12CC2 ZINC001246129606 1259647694 /nfs/dbraw/zinc/64/76/94/1259647694.db2.gz GFHBCTGSQYDEKF-KGLIPLIRSA-N 2 0 374.489 0.334 20 0 FCADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CC[NH2+]1 ZINC001246157488 1259649552 /nfs/dbraw/zinc/64/95/52/1259649552.db2.gz OUTYXILFMWQTPT-BHIYHBOVSA-N 2 0 374.529 0.768 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246216069 1259651333 /nfs/dbraw/zinc/65/13/33/1259651333.db2.gz LNSQYIFGSGGABQ-MOPGFXCFSA-N 3 0 373.538 0.523 20 0 FCADRP CC(C)C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(=O)OC(C)(C)C ZINC001246514975 1259654699 /nfs/dbraw/zinc/65/46/99/1259654699.db2.gz BPRHWPFFUIKKHJ-CABCVRRESA-N 2 0 368.522 0.543 20 0 FCADRP O=C([C@@H]1C[C@H](N2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246625036 1259657586 /nfs/dbraw/zinc/65/75/86/1259657586.db2.gz QUPDYDGTFDAFCL-KSZLIROESA-N 2 0 372.538 0.939 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566131 1259657995 /nfs/dbraw/zinc/65/79/95/1259657995.db2.gz FWFGBAMBHOJNDG-MGPQQGTHSA-N 2 0 362.478 0.272 20 0 FCADRP O=C1N(Cc2ccccn2)CCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246705937 1259664652 /nfs/dbraw/zinc/66/46/52/1259664652.db2.gz TXTAPKOEULOSTR-SFHVURJKSA-N 2 0 369.513 0.990 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745169 1259676515 /nfs/dbraw/zinc/67/65/15/1259676515.db2.gz MQYPUTBDAMGKGK-MIALQEHNSA-N 2 0 372.517 0.976 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246746585 1259677153 /nfs/dbraw/zinc/67/71/53/1259677153.db2.gz KWTIKCCEDOHEDU-GOSISDBHSA-N 3 0 363.550 0.345 20 0 FCADRP CN(C)C(=O)[C@]12C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744791 1259677222 /nfs/dbraw/zinc/67/72/22/1259677222.db2.gz LTTNGVJLRJGOJO-FRQCXROJSA-N 2 0 358.490 0.588 20 0 FCADRP O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246747356 1259677620 /nfs/dbraw/zinc/67/76/20/1259677620.db2.gz WACMDBOSIJVQML-DOTOQJQBSA-N 2 0 362.518 0.620 20 0 FCADRP O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752302 1259678790 /nfs/dbraw/zinc/67/87/90/1259678790.db2.gz ZCXZIUDIEKZDQS-QUCCMNQESA-N 2 0 369.513 0.990 20 0 FCADRP Cn1ccc(CN2CCOCC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246751237 1259679870 /nfs/dbraw/zinc/67/98/70/1259679870.db2.gz YBHISXRHNICPGU-SFHVURJKSA-N 2 0 374.533 0.181 20 0 FCADRP Cn1ccc(CN2CCCC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754324 1259681556 /nfs/dbraw/zinc/68/15/56/1259681556.db2.gz QFQWGVXGKMEITB-GOSISDBHSA-N 2 0 358.534 0.945 20 0 FCADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762558 1259683546 /nfs/dbraw/zinc/68/35/46/1259683546.db2.gz CRKOVUBSJOZCQY-PSOLEGPJSA-N 2 0 361.490 0.627 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765215 1259684140 /nfs/dbraw/zinc/68/41/40/1259684140.db2.gz INISOKNCESDHCA-IQWQSGHPSA-N 2 0 359.474 0.684 20 0 FCADRP COc1ccc(C(=O)NC2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246786634 1259688162 /nfs/dbraw/zinc/68/81/62/1259688162.db2.gz HKKCPBBVMYYXEP-KRWDZBQOSA-N 2 0 358.486 0.983 20 0 FCADRP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246778998 1259689532 /nfs/dbraw/zinc/68/95/32/1259689532.db2.gz RHCKXVJRAHKFMB-QGZVFWFLSA-N 3 0 372.517 0.139 20 0 FCADRP O=C(c1ccccc1)N1CCC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246822105 1259691705 /nfs/dbraw/zinc/69/17/05/1259691705.db2.gz QXPBVNJJYALPCX-HXUWFJFHSA-N 2 0 373.545 0.766 20 0 FCADRP C[NH2+]CC[C@@H](C)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246910783 1259694238 /nfs/dbraw/zinc/69/42/38/1259694238.db2.gz LNUORJHQZIFPIX-PMPSAXMXSA-N 2 0 373.492 0.200 20 0 FCADRP C[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001246923216 1259696238 /nfs/dbraw/zinc/69/62/38/1259696238.db2.gz BKSPLOQHCWJHCO-IEBWSBKVSA-N 3 0 361.534 0.765 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4C[NH2+]CC[C@@H]4O)n3)c2)CC1 ZINC001247754550 1259704875 /nfs/dbraw/zinc/70/48/75/1259704875.db2.gz ANMUKWYDIVCWQQ-IRXDYDNUSA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@]45C[NH2+]C[C@@H]4CCN5)n3)c2)CC1 ZINC001247834523 1259707895 /nfs/dbraw/zinc/70/78/95/1259707895.db2.gz HUWXNOMJWYOARQ-PXNSSMCTSA-N 2 0 368.485 0.892 20 0 FCADRP CCOC(=O)C1(c2nc(-c3cccc(N4CC[NH+](C)CC4)c3)no2)C[NH2+]C1 ZINC001248895692 1259719010 /nfs/dbraw/zinc/71/90/10/1259719010.db2.gz IDPIOOOWHMGQQW-UHFFFAOYSA-N 2 0 371.441 0.893 20 0 FCADRP CCOC(=O)C1(c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)C[NH2+]C1 ZINC001248896447 1259719435 /nfs/dbraw/zinc/71/94/35/1259719435.db2.gz QAUMWZVZIRARKC-UHFFFAOYSA-N 2 0 371.441 0.893 20 0 FCADRP CC(C)[NH+]1CCN(CC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453594 1259748435 /nfs/dbraw/zinc/74/84/35/1259748435.db2.gz QPLCVIHMNJCNCJ-IBGZPJMESA-N 2 0 370.538 0.974 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001335674763 1259779963 /nfs/dbraw/zinc/77/99/63/1259779963.db2.gz ZWMURTMOUXVOHU-HNNXBMFYSA-N 2 0 353.463 0.281 20 0 FCADRP COc1ccc(OC[C@@H](O)C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001252718274 1259805345 /nfs/dbraw/zinc/80/53/45/1259805345.db2.gz PFAQFDHHVQZURJ-INIZCTEOSA-N 2 0 365.474 0.531 20 0 FCADRP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C[C@@]3(O)CCN(Cc4ccccc4)C3)[C@@H]2O1 ZINC001252943628 1259814296 /nfs/dbraw/zinc/81/42/96/1259814296.db2.gz JEPISDWKQNVWOQ-QTVCLEQKSA-N 2 0 362.470 0.866 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001253184341 1259827225 /nfs/dbraw/zinc/82/72/25/1259827225.db2.gz FBEZCVSYYQIIJA-FPAYPSAMSA-N 2 0 367.534 0.942 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001253186619 1259828408 /nfs/dbraw/zinc/82/84/08/1259828408.db2.gz QKAUCFYZNZSNML-IBGZPJMESA-N 2 0 368.566 0.954 20 0 FCADRP NC(=O)NC1CC[NH+](CCCCCC[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC001253398977 1259837839 /nfs/dbraw/zinc/83/78/39/1259837839.db2.gz PMZZNUSDEIXGIZ-UHFFFAOYSA-N 2 0 368.526 0.812 20 0 FCADRP OCCN(CCO)CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254048058 1259868211 /nfs/dbraw/zinc/86/82/11/1259868211.db2.gz FEDDCRNGBLNAGV-UHFFFAOYSA-N 2 0 365.518 0.280 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@H]2C(=O)N(C)C ZINC001255685345 1259924367 /nfs/dbraw/zinc/92/43/67/1259924367.db2.gz NOHNROJBUAOISN-WFFDWFOESA-N 2 0 362.518 0.870 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001335988468 1259932863 /nfs/dbraw/zinc/93/28/63/1259932863.db2.gz WBIXRIKSRAQBRJ-MRXNPFEDSA-N 2 0 351.447 0.431 20 0 FCADRP COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256698637 1259956719 /nfs/dbraw/zinc/95/67/19/1259956719.db2.gz QLWATCZRGLTEPK-NUWOQIAWSA-N 2 0 368.474 0.914 20 0 FCADRP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858232 1259976341 /nfs/dbraw/zinc/97/63/41/1259976341.db2.gz CUWKOTZGSYCDEW-LJQANCHMSA-N 2 0 357.458 0.473 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC001336133218 1260002521 /nfs/dbraw/zinc/00/25/21/1260002521.db2.gz LYRQTTISOUJRNI-AWEZNQCLSA-N 2 0 374.411 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC001336174621 1260025556 /nfs/dbraw/zinc/02/55/56/1260025556.db2.gz FJTAEHATQXNFEO-CVEARBPZSA-N 2 0 368.522 0.632 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCOCCOCCC[NH3+])C[C@H]1C(=O)OC ZINC001257718545 1260025852 /nfs/dbraw/zinc/02/58/52/1260025852.db2.gz DCVCMCIOUSPWRH-ARFHVFGLSA-N 2 0 374.478 0.479 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192811 1260034331 /nfs/dbraw/zinc/03/43/31/1260034331.db2.gz IVZQCYVPEPFXSM-KFWWJZLASA-N 2 0 352.479 0.653 20 0 FCADRP COC1(OC)CCOC[C@H]1NCCC[NH2+][C@H]1COCCC1(OC)OC ZINC001336197342 1260036913 /nfs/dbraw/zinc/03/69/13/1260036913.db2.gz DUDWRSXYMFOXLQ-GASCZTMLSA-N 2 0 362.467 0.112 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)CC1 ZINC001336434074 1260126313 /nfs/dbraw/zinc/12/63/13/1260126313.db2.gz OXYZARBFSHAMEJ-UHFFFAOYSA-N 2 0 366.550 0.567 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515738 1260153693 /nfs/dbraw/zinc/15/36/93/1260153693.db2.gz RMRTYXLGZWUMOU-GVDBMIGSSA-N 2 0 366.506 0.333 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001261891842 1260208763 /nfs/dbraw/zinc/20/87/63/1260208763.db2.gz QZYAHMIXTGDTSM-HNNXBMFYSA-N 2 0 372.469 0.670 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1=O ZINC001336829529 1260232506 /nfs/dbraw/zinc/23/25/06/1260232506.db2.gz DBDFIFXODVUGCW-CJNGLKHVSA-N 2 0 371.428 0.767 20 0 FCADRP O=C(NCc1nnc(C2CC2)[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336878360 1260244354 /nfs/dbraw/zinc/24/43/54/1260244354.db2.gz YTQIUQPUOJUTFQ-GASCZTMLSA-N 2 0 359.478 0.792 20 0 FCADRP O=C(CNC(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001336906587 1260250643 /nfs/dbraw/zinc/25/06/43/1260250643.db2.gz FLARCIKHLXXYOY-HNNXBMFYSA-N 2 0 351.495 0.230 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001262059361 1260253318 /nfs/dbraw/zinc/25/33/18/1260253318.db2.gz WOULRVOODVJTLE-UHFFFAOYSA-N 2 0 368.522 0.629 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C(F)(F)F ZINC001336961373 1260268486 /nfs/dbraw/zinc/26/84/86/1260268486.db2.gz QWLXHPQIBFTMEO-FRRDWIJNSA-N 2 0 364.412 0.924 20 0 FCADRP CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@H]1OC ZINC001262579898 1260329231 /nfs/dbraw/zinc/32/92/31/1260329231.db2.gz CNXBUBODRIOZKK-IGKNDFSCSA-N 2 0 366.506 0.789 20 0 FCADRP CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272741558 1260495019 /nfs/dbraw/zinc/49/50/19/1260495019.db2.gz IZATTZGYTLQHPO-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP O=C(CC[NH+]1CCCC1)N1[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001273119808 1260595791 /nfs/dbraw/zinc/59/57/91/1260595791.db2.gz AZTXWPHVIUTAGN-KSZLIROESA-N 2 0 360.502 0.768 20 0 FCADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001278273523 1260689587 /nfs/dbraw/zinc/68/95/87/1260689587.db2.gz YSMZUXAZZCRRAS-HOTGVXAUSA-N 2 0 360.458 0.446 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H](C1)O2 ZINC001278463883 1260694823 /nfs/dbraw/zinc/69/48/23/1260694823.db2.gz NELIQAWTKWAMCX-CEXWTWQISA-N 2 0 363.502 0.809 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332239413 1266364439 /nfs/dbraw/zinc/36/44/39/1266364439.db2.gz VJUBSTLGJDKKOZ-CYBMUJFWSA-N 2 0 372.469 0.798 20 0 FCADRP C[NH+](C)CCN1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)CCO2 ZINC001279481052 1260877884 /nfs/dbraw/zinc/87/78/84/1260877884.db2.gz HPECQHIHGZLRDO-AZUAARDMSA-N 2 0 364.534 0.726 20 0 FCADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001279571975 1260895058 /nfs/dbraw/zinc/89/50/58/1260895058.db2.gz DHESIGKSHWVBJT-UHFFFAOYSA-N 2 0 363.462 0.572 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CCO1 ZINC001332268492 1266368951 /nfs/dbraw/zinc/36/89/51/1266368951.db2.gz YROGIOZSBKTVDM-ZTFGCOKTSA-N 2 0 374.485 0.377 20 0 FCADRP C[C@H]1C[C@@H]1C[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825482 1260939153 /nfs/dbraw/zinc/93/91/53/1260939153.db2.gz XRZRQRLMZCEEPO-DZGCQCFKSA-N 2 0 361.494 0.981 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2COCCC23C[NH+](C[C@@H]2CCOC2)C3)CC1 ZINC001279895348 1260954525 /nfs/dbraw/zinc/95/45/25/1260954525.db2.gz ZHIAYTRAANAVEK-FUHWJXTLSA-N 2 0 365.518 0.914 20 0 FCADRP COC(=O)[C@@H](C)C[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001280025756 1260980681 /nfs/dbraw/zinc/98/06/81/1260980681.db2.gz SHOCJYKICXURRE-TZYSRNFLSA-N 2 0 363.462 0.705 20 0 FCADRP C[NH+]1CCC(N2C[C@@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H](C2)O3)CC1 ZINC001280070014 1260989110 /nfs/dbraw/zinc/98/91/10/1260989110.db2.gz IDQSAVJRIGECSL-CEXWTWQISA-N 2 0 362.518 0.477 20 0 FCADRP CN(C)C(=O)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280072199 1260990610 /nfs/dbraw/zinc/99/06/10/1260990610.db2.gz BQXBIAQNMYFAKU-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP CNC(=O)C(C)(C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001280075634 1260991311 /nfs/dbraw/zinc/99/13/11/1260991311.db2.gz RUPPVFUPGBJQIM-HZPDHXFCSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(=O)NCC3COC3)C2)CC1 ZINC001280126235 1261010445 /nfs/dbraw/zinc/01/04/45/1261010445.db2.gz UNKYEPPPVPBHAD-CEXWTWQISA-N 2 0 365.518 0.818 20 0 FCADRP C[C@@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001280125397 1261010710 /nfs/dbraw/zinc/01/07/10/1261010710.db2.gz IMAYERXRRKIIQV-GFCCVEGCSA-N 2 0 370.448 0.861 20 0 FCADRP C[C@H]1Cc2nnc(C(=O)N3CC=CC3)n2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001280125128 1261010734 /nfs/dbraw/zinc/01/07/34/1261010734.db2.gz DNLCRQYZQCEULN-HNNXBMFYSA-N 2 0 358.490 0.879 20 0 FCADRP CN(Cc1ncccn1)C(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001280134279 1261012494 /nfs/dbraw/zinc/01/24/94/1261012494.db2.gz BNTUXPUADVEZPB-LSDHHAIUSA-N 2 0 358.446 0.121 20 0 FCADRP O=C([C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)N1CC(N2CC(F)C2)C1 ZINC001280135613 1261013695 /nfs/dbraw/zinc/01/36/95/1261013695.db2.gz PESYKINKWKXNAS-SFHVURJKSA-N 2 0 364.509 0.953 20 0 FCADRP Cn1nccc1CNC(=O)[C@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280138346 1261014229 /nfs/dbraw/zinc/01/42/29/1261014229.db2.gz WUOOEHLVCQCJMF-QGZVFWFLSA-N 2 0 361.490 0.374 20 0 FCADRP C[NH+]1CCC(CC[NH+]2CC3(C[C@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280140365 1261014546 /nfs/dbraw/zinc/01/45/46/1261014546.db2.gz JKGMOXDVFCWUEN-INIZCTEOSA-N 2 0 358.490 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CN1Cc1ccccc1 ZINC001332332415 1266378309 /nfs/dbraw/zinc/37/83/09/1266378309.db2.gz PLRQVAVGFJXYJO-AHCXZYCDSA-N 2 0 358.486 0.961 20 0 FCADRP CCn1ccnc1C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@H]2C1 ZINC001280188439 1261025539 /nfs/dbraw/zinc/02/55/39/1261025539.db2.gz GNSWSACRILRSCK-PMPSAXMXSA-N 2 0 361.490 0.296 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332964 1266378927 /nfs/dbraw/zinc/37/89/27/1266378927.db2.gz VWINNGZRPCTIHZ-HDICACEKSA-N 2 0 360.502 0.863 20 0 FCADRP Cc1cc(C[N@H+]2C[C@@H]3C(=O)NC4(CC[NH+](C[C@H](C)O)CC4)[C@H]3C2)n(C)n1 ZINC001280188742 1261025751 /nfs/dbraw/zinc/02/57/51/1261025751.db2.gz JODHDCRLHCSQLS-XIRDDKMYSA-N 2 0 361.490 0.122 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001332332416 1266379489 /nfs/dbraw/zinc/37/94/89/1266379489.db2.gz PLRQVAVGFJXYJO-ATLSCFEFSA-N 2 0 358.486 0.961 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280216452 1261036191 /nfs/dbraw/zinc/03/61/91/1261036191.db2.gz SVEPGAWDJKJHRS-KSZLIROESA-N 2 0 362.518 0.777 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001280272899 1261045703 /nfs/dbraw/zinc/04/57/03/1261045703.db2.gz QTEQZCDMUCTEEW-FXAWDEMLSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC001281628992 1261128796 /nfs/dbraw/zinc/12/87/96/1261128796.db2.gz IGPZPXJYMZBVCR-YESZJQIVSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2O)CCC1 ZINC001281683748 1261148374 /nfs/dbraw/zinc/14/83/74/1261148374.db2.gz GWJLWXDSVDIVAU-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001332408199 1266395597 /nfs/dbraw/zinc/39/55/97/1266395597.db2.gz HIUGKQFZNSRBQS-SJORKVTESA-N 2 0 362.522 0.543 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1 ZINC001332463786 1266411078 /nfs/dbraw/zinc/41/10/78/1266411078.db2.gz WPFQLRDAWAVUOC-UHFFFAOYSA-N 2 0 359.474 0.625 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001345135058 1261639915 /nfs/dbraw/zinc/63/99/15/1261639915.db2.gz BVFNSCXBCCIBDC-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP CC[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001345576327 1261743568 /nfs/dbraw/zinc/74/35/68/1261743568.db2.gz CRIKPFYQPWSORU-KRWDZBQOSA-N 2 0 373.501 0.968 20 0 FCADRP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285653005 1261862350 /nfs/dbraw/zinc/86/23/50/1261862350.db2.gz XVZOAYSIKUBLAC-IIAWOOMASA-N 2 0 370.457 0.842 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001312013341 1263270370 /nfs/dbraw/zinc/27/03/70/1263270370.db2.gz RCVRURQXNJWFBA-MSOLQXFVSA-N 2 0 368.522 0.776 20 0 FCADRP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001313400605 1263315299 /nfs/dbraw/zinc/31/52/99/1263315299.db2.gz FDJFBEBEOUSDSG-IBGZPJMESA-N 2 0 368.522 0.633 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671263 1263328550 /nfs/dbraw/zinc/32/85/50/1263328550.db2.gz DEOFHVICIXTLDT-CVEARBPZSA-N 2 0 352.523 0.881 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671189 1263329346 /nfs/dbraw/zinc/32/93/46/1263329346.db2.gz ASKUTFADSBNJBI-IKGGRYGDSA-N 2 0 355.523 0.752 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001479672228 1263332246 /nfs/dbraw/zinc/33/22/46/1263332246.db2.gz DZXVNZBIBSDROG-IKGGRYGDSA-N 2 0 367.538 0.815 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001484406988 1263470342 /nfs/dbraw/zinc/47/03/42/1263470342.db2.gz KTSILSNYNBWEDW-WCXIOVBPSA-N 2 0 365.522 0.424 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001484742922 1263484940 /nfs/dbraw/zinc/48/49/40/1263484940.db2.gz SITIOVDHKGKMRK-CHWSQXEVSA-N 2 0 366.428 0.785 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(CC(=O)NCc3ccccc3)C2)CC[N@@H+]1C ZINC001318120699 1263545014 /nfs/dbraw/zinc/54/50/14/1263545014.db2.gz BMVINVHDWSVJDV-CRAIPNDOSA-N 2 0 358.486 0.691 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318661793 1263597966 /nfs/dbraw/zinc/59/79/66/1263597966.db2.gz OZLQHSZCENPHHU-ROUUACIJSA-N 2 0 365.522 0.273 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@@H+]1C ZINC001580387961 1278209310 /nfs/dbraw/zinc/20/93/10/1278209310.db2.gz JPSPQQDANYLCNA-KFNAQCHYSA-N 2 0 370.461 0.331 20 0 FCADRP NC(=O)C[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CC(N)=O)C3)COC2)C1 ZINC001320115396 1263763620 /nfs/dbraw/zinc/76/36/20/1263763620.db2.gz FEDBOQLHCZRRDN-HOTGVXAUSA-N 2 0 366.506 0.178 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001322036324 1264136204 /nfs/dbraw/zinc/13/62/04/1264136204.db2.gz RVTOXKAHYVUYDU-HNNXBMFYSA-N 2 0 361.490 0.752 20 0 FCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001580397378 1278223215 /nfs/dbraw/zinc/22/32/15/1278223215.db2.gz JXAUKWQICRCDNK-ZWKOTPCHSA-N 2 0 358.486 0.821 20 0 FCADRP CC[N@H+](C[C@@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001505396948 1264272108 /nfs/dbraw/zinc/27/21/08/1264272108.db2.gz XPBOCASEQSQOAS-KBAYOESNSA-N 2 0 355.523 0.894 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001322827153 1264277177 /nfs/dbraw/zinc/27/71/77/1264277177.db2.gz SFMWDBANYUWJBK-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001322960090 1264302070 /nfs/dbraw/zinc/30/20/70/1264302070.db2.gz XOSVANBMYBJHSX-JKSUJKDBSA-N 2 0 367.538 0.118 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580402626 1278231234 /nfs/dbraw/zinc/23/12/34/1278231234.db2.gz CXBSYFZBVSDXFO-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP CC1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001323186225 1264361856 /nfs/dbraw/zinc/36/18/56/1264361856.db2.gz VNTKQYNMLOSNAL-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001323615535 1264468590 /nfs/dbraw/zinc/46/85/90/1264468590.db2.gz KNYPVRXXYSZATH-CEXWTWQISA-N 2 0 372.513 0.783 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580404196 1278237633 /nfs/dbraw/zinc/23/76/33/1278237633.db2.gz WIIZFUIKMWHGDD-YPMHNXCESA-N 2 0 361.425 0.552 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001325666391 1264964123 /nfs/dbraw/zinc/96/41/23/1264964123.db2.gz KZBYAGIEHGONBS-UHFFFAOYSA-N 2 0 360.506 0.143 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC001325665575 1264964365 /nfs/dbraw/zinc/96/43/65/1264964365.db2.gz FRGCDRSXYHYBPM-GOSISDBHSA-N 2 0 361.490 0.303 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC001325728349 1264981183 /nfs/dbraw/zinc/98/11/83/1264981183.db2.gz GGYUIJASVMIESI-CVEARBPZSA-N 2 0 373.501 0.263 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001326152277 1265070062 /nfs/dbraw/zinc/07/00/62/1265070062.db2.gz ONQOQIATDJPJHN-INIZCTEOSA-N 2 0 360.502 0.924 20 0 FCADRP Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nnn1C1CC[NH2+]CC1 ZINC001326341563 1265096416 /nfs/dbraw/zinc/09/64/16/1265096416.db2.gz WHYMOVMVMFERLJ-HNNXBMFYSA-N 2 0 362.478 0.305 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580406602 1278246044 /nfs/dbraw/zinc/24/60/44/1278246044.db2.gz QICJRUMJAJDVJL-CYBMUJFWSA-N 2 0 355.446 0.557 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@H]21 ZINC001326472046 1265118706 /nfs/dbraw/zinc/11/87/06/1265118706.db2.gz ICJFOHLQMDEHJW-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326608325 1265142990 /nfs/dbraw/zinc/14/29/90/1265142990.db2.gz PLBOGFHDOSURLS-FCEWJHQRSA-N 2 0 366.506 0.143 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001327104199 1265236478 /nfs/dbraw/zinc/23/64/78/1265236478.db2.gz FGEYJJUMKORRSB-SJORKVTESA-N 2 0 363.506 0.513 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001327197495 1265250683 /nfs/dbraw/zinc/25/06/83/1265250683.db2.gz CGAUPTIGVNIHQC-MRXNPFEDSA-N 2 0 364.490 0.970 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001327431087 1265318256 /nfs/dbraw/zinc/31/82/56/1265318256.db2.gz LXEAUUDJCISSDA-OAHLLOKOSA-N 2 0 359.474 0.493 20 0 FCADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001327450841 1265325600 /nfs/dbraw/zinc/32/56/00/1265325600.db2.gz YHKNUTAMJIACNL-KRWDZBQOSA-N 2 0 367.538 0.106 20 0 FCADRP COC(=O)[C@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039608 1266528079 /nfs/dbraw/zinc/52/80/79/1266528079.db2.gz XCYINBYPBFUGRH-UYAOXDASSA-N 2 0 361.486 0.660 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC001522447109 1266556664 /nfs/dbraw/zinc/55/66/64/1266556664.db2.gz SHORFIXMJAUEKA-WMZOPIPTSA-N 2 0 362.474 0.658 20 0 FCADRP [NH3+]CCCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001333411866 1266595359 /nfs/dbraw/zinc/59/53/59/1266595359.db2.gz MJMJIOAYUYAQFT-ZWKOTPCHSA-N 2 0 358.486 0.822 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC001333620242 1266653137 /nfs/dbraw/zinc/65/31/37/1266653137.db2.gz XSBAZPUQJZAJCY-SQNIBIBYSA-N 2 0 367.538 0.552 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC001333632324 1266657539 /nfs/dbraw/zinc/65/75/39/1266657539.db2.gz YILUGYFUUAVRKJ-HNNXBMFYSA-N 2 0 357.476 0.352 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001333883450 1266739485 /nfs/dbraw/zinc/73/94/85/1266739485.db2.gz JEBUUARAZNQKGU-GOSISDBHSA-N 2 0 358.486 0.806 20 0 FCADRP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001526630300 1266823112 /nfs/dbraw/zinc/82/31/12/1266823112.db2.gz NEIGSDGKVBDXIA-RRFJBIMHSA-N 2 0 364.494 0.019 20 0 FCADRP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001528444006 1266971986 /nfs/dbraw/zinc/97/19/86/1266971986.db2.gz QZCRPONSVWJUIL-MRXNPFEDSA-N 2 0 355.527 0.375 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001542692046 1267504206 /nfs/dbraw/zinc/50/42/06/1267504206.db2.gz UDDNFYMMLIKQTG-MSOLQXFVSA-N 3 0 354.539 0.829 20 0 FCADRP Cn1nccc1[C@H]1[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCC[N@@H+]1C ZINC001548941619 1267776306 /nfs/dbraw/zinc/77/63/06/1267776306.db2.gz XLRGEIKNZPKSSY-JKIFEVAISA-N 2 0 372.477 0.359 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2N2CC[C@@H](O)C2)CC1 ZINC001548964805 1267781403 /nfs/dbraw/zinc/78/14/03/1267781403.db2.gz CZKXQUVCOQVVLG-KZNAEPCWSA-N 2 0 352.523 0.553 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1c1ccccc1F ZINC001549033306 1267792854 /nfs/dbraw/zinc/79/28/54/1267792854.db2.gz WXTOFSMTCISXJD-ZBFHGGJFSA-N 2 0 358.421 0.909 20 0 FCADRP O=C(NCc1cn(C2CC[NH2+]CC2)nn1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001549209094 1267857456 /nfs/dbraw/zinc/85/74/56/1267857456.db2.gz GUTFUUHIYFGWMW-SFHVURJKSA-N 2 0 369.473 0.889 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1c1ccc(F)cc1 ZINC001549286793 1267888876 /nfs/dbraw/zinc/88/88/76/1267888876.db2.gz CQMHJPLBLQHVSZ-CVEARBPZSA-N 2 0 358.421 0.909 20 0 FCADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nnn1[C@H]1CC[NH2+]C1 ZINC001549293020 1267890559 /nfs/dbraw/zinc/89/05/59/1267890559.db2.gz QWPKMWMZBBRVLE-QXSJWSMHSA-N 2 0 362.478 0.622 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC001549723270 1267979021 /nfs/dbraw/zinc/97/90/21/1267979021.db2.gz XPEGCMLFXCJDLE-AGIUHOORSA-N 2 0 358.364 0.836 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@H]2[NH3+])c1 ZINC001549738012 1267984170 /nfs/dbraw/zinc/98/41/70/1267984170.db2.gz PJQVIOMVYOLKMU-STQMWFEESA-N 2 0 360.487 0.911 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549739305 1267984879 /nfs/dbraw/zinc/98/48/79/1267984879.db2.gz OWBONCLDJUTHOU-ZWOKBUDYSA-N 2 0 356.470 0.984 20 0 FCADRP CCO[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC001549792722 1268001134 /nfs/dbraw/zinc/00/11/34/1268001134.db2.gz MZRGDPCZSPAFLR-XJKSGUPXSA-N 2 0 350.467 0.977 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550066934 1268067831 /nfs/dbraw/zinc/06/78/31/1268067831.db2.gz JDKWMKUYTMCWEQ-BZUAXINKSA-N 2 0 357.462 0.416 20 0 FCADRP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090080 1268071977 /nfs/dbraw/zinc/07/19/77/1268071977.db2.gz MVOOSQGABVJCOH-HOTGVXAUSA-N 2 0 362.478 0.433 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@@H]2[NH3+])cc1 ZINC001550113687 1268076003 /nfs/dbraw/zinc/07/60/03/1268076003.db2.gz RXVQDLDYJMVHRR-SZMVWBNQSA-N 2 0 374.485 0.358 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cnn1C ZINC001550113675 1268077126 /nfs/dbraw/zinc/07/71/26/1268077126.db2.gz YPADRLJVTVQDRA-XIRDDKMYSA-N 2 0 361.490 0.306 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)nn1 ZINC001550269788 1268101932 /nfs/dbraw/zinc/10/19/32/1268101932.db2.gz IOMDKJOPDRYPCJ-KRWDZBQOSA-N 2 0 361.494 0.815 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@@H]2[NH3+])cn1 ZINC001550270579 1268102630 /nfs/dbraw/zinc/10/26/30/1268102630.db2.gz PFLVOYWXXCKFGU-MSOLQXFVSA-N 2 0 354.458 0.702 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285443 1268103591 /nfs/dbraw/zinc/10/35/91/1268103591.db2.gz NZOJWHYFNDPQFM-IAGOWNOFSA-N 2 0 365.522 0.176 20 0 FCADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[N@H+](C)C1 ZINC001550284095 1268104549 /nfs/dbraw/zinc/10/45/49/1268104549.db2.gz WPTIBACBVAXERB-ARFHVFGLSA-N 2 0 354.495 0.506 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001550315790 1268104922 /nfs/dbraw/zinc/10/49/22/1268104922.db2.gz AMQJFDHTQNCDAI-QZTJIDSGSA-N 2 0 351.491 0.809 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001550478842 1268124573 /nfs/dbraw/zinc/12/45/73/1268124573.db2.gz XVXPPYQPEMUHRZ-DWRORGKVSA-N 2 0 363.506 0.654 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)C2 ZINC001550485110 1268127256 /nfs/dbraw/zinc/12/72/56/1268127256.db2.gz QWOWSWKRHSYGBU-ZMMAXQRCSA-N 2 0 352.523 0.076 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540297 1268129429 /nfs/dbraw/zinc/12/94/29/1268129429.db2.gz BCMWVQKMUICMEV-ZACQAIPSSA-N 2 0 374.485 0.836 20 0 FCADRP Cn1nccc1[C@H]1[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCC(=O)N1C ZINC001550673764 1268147012 /nfs/dbraw/zinc/14/70/12/1268147012.db2.gz UHNLCIOCXRZOGM-MAUKXSAKSA-N 2 0 363.506 0.907 20 0 FCADRP Cn1nccc1[C@@H]1[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704552 1268153438 /nfs/dbraw/zinc/15/34/38/1268153438.db2.gz ZUMGYSXUZZXWDG-GJYPPUQNSA-N 2 0 373.501 0.973 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001550733618 1268157764 /nfs/dbraw/zinc/15/77/64/1268157764.db2.gz XAKPDGNSHFIJJP-PQUAAJSLSA-N 2 0 354.495 0.698 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550754918 1268162604 /nfs/dbraw/zinc/16/26/04/1268162604.db2.gz DSUAOSUBJZUYSE-GVDBMIGSSA-N 2 0 366.506 0.601 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001550754134 1268162643 /nfs/dbraw/zinc/16/26/43/1268162643.db2.gz ISJPFJFEHILSBB-GJZGRUSLSA-N 2 0 352.479 0.213 20 0 FCADRP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913958 1268184650 /nfs/dbraw/zinc/18/46/50/1268184650.db2.gz RUZZFMQKNXRQGO-YLJYHZDGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001550979683 1268188634 /nfs/dbraw/zinc/18/86/34/1268188634.db2.gz BVLJUQMZQLMUJW-PVAVHDDUSA-N 2 0 354.495 0.336 20 0 FCADRP C[C@H]1CN(CCO)CCN1C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551277978 1268220686 /nfs/dbraw/zinc/22/06/86/1268220686.db2.gz SCMLSQQANOCVKQ-MUYFXNHWSA-N 2 0 368.522 0.728 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001551468458 1268257833 /nfs/dbraw/zinc/25/78/33/1268257833.db2.gz QSVXNNYFLCXYCS-MOPGFXCFSA-N 2 0 357.502 0.843 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C[C@H](C)O ZINC001551471835 1268258088 /nfs/dbraw/zinc/25/80/88/1268258088.db2.gz ZMPSHNSCVGNEDN-YESZJQIVSA-N 2 0 368.522 0.632 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC001551499073 1268261719 /nfs/dbraw/zinc/26/17/19/1268261719.db2.gz WBUYZTSMUJVJOG-JBCIKUTRSA-N 2 0 354.495 0.778 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551496151 1268261734 /nfs/dbraw/zinc/26/17/34/1268261734.db2.gz RBLNJAOXMUEVEB-KURKYZTESA-N 2 0 371.485 0.559 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C1 ZINC001551543529 1268264782 /nfs/dbraw/zinc/26/47/82/1268264782.db2.gz UWPGPIWKIXABDH-CQDKDKBSSA-N 2 0 364.412 0.673 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551555217 1268267537 /nfs/dbraw/zinc/26/75/37/1268267537.db2.gz MYSBDRDIZDQKEN-DYWXZXKOSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551555216 1268267874 /nfs/dbraw/zinc/26/78/74/1268267874.db2.gz MYSBDRDIZDQKEN-DUFGSWQCSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001551555196 1268267884 /nfs/dbraw/zinc/26/78/84/1268267884.db2.gz MQMZTEVJGLOWTO-MMTVNHQJSA-N 2 0 351.495 0.260 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551556628 1268268360 /nfs/dbraw/zinc/26/83/60/1268268360.db2.gz AXTAHCKDDGSZDK-DOTOQJQBSA-N 2 0 351.495 0.369 20 0 FCADRP CC1(C)C[C@H]([NH3+])CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551557230 1268268796 /nfs/dbraw/zinc/26/87/96/1268268796.db2.gz URNFMOFHTNCIHO-SQWLQELKSA-N 2 0 351.495 0.402 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551560790 1268271019 /nfs/dbraw/zinc/27/10/19/1268271019.db2.gz LXXUWIAFBRRVRF-MRVWCRGKSA-N 2 0 350.385 0.500 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551564956 1268272862 /nfs/dbraw/zinc/27/28/62/1268272862.db2.gz VGQUAUCNCGFNHG-QRTARXTBSA-N 2 0 351.495 0.226 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551574937 1268274456 /nfs/dbraw/zinc/27/44/56/1268274456.db2.gz DTPXEPLQPAEOGJ-YSVLISHTSA-N 2 0 351.495 0.404 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C2 ZINC001551575674 1268274816 /nfs/dbraw/zinc/27/48/16/1268274816.db2.gz GPPIHULHVFUGDL-LFEHRJTNSA-N 2 0 363.506 0.404 20 0 FCADRP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576173 1268275835 /nfs/dbraw/zinc/27/58/35/1268275835.db2.gz HNXXFQFUBNQJLW-PKOBYXMFSA-N 2 0 373.501 0.852 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551578213 1268276548 /nfs/dbraw/zinc/27/65/48/1268276548.db2.gz MKYMQPZVTMQOMD-QGPMSJSTSA-N 2 0 365.522 0.664 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001551579578 1268276716 /nfs/dbraw/zinc/27/67/16/1268276716.db2.gz OLOIHBWJTWOMMI-DUFGSWQCSA-N 2 0 351.495 0.402 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551578091 1268276896 /nfs/dbraw/zinc/27/68/96/1268276896.db2.gz LZOGMFJJQRULJH-INMHGKMJSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551583716 1268278997 /nfs/dbraw/zinc/27/89/97/1268278997.db2.gz WJWVBPGZGKCEQO-NZUILWFCSA-N 2 0 351.495 0.545 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585332 1268280001 /nfs/dbraw/zinc/28/00/01/1268280001.db2.gz APKSEBRKBKZBDK-JFIYKMOQSA-N 2 0 365.522 0.759 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC001551593853 1268280872 /nfs/dbraw/zinc/28/08/72/1268280872.db2.gz OLWXDHZVFKGDNH-FUHWJXTLSA-N 2 0 363.506 0.513 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551593799 1268281354 /nfs/dbraw/zinc/28/13/54/1268281354.db2.gz OKACHIJZOJZAQV-NVXWUHKLSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597259 1268281901 /nfs/dbraw/zinc/28/19/01/1268281901.db2.gz UWZRHKAALZKPMF-SJLPKXTDSA-N 2 0 365.522 0.759 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551598529 1268282769 /nfs/dbraw/zinc/28/27/69/1268282769.db2.gz YGKDDOYRQYALOG-AEFFLSMTSA-N 2 0 365.522 0.664 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552015291 1268352134 /nfs/dbraw/zinc/35/21/34/1268352134.db2.gz ZZUOSVRTAYCZIK-IAGOWNOFSA-N 2 0 354.495 0.338 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC[NH2+]CC3)C[C@@H]2[NH3+])cn1 ZINC001552095112 1268371392 /nfs/dbraw/zinc/37/13/92/1268371392.db2.gz VAIYSBCIFGBILS-MWDXBVQZSA-N 2 0 362.478 0.013 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@@H+]1C[C@H](C)O ZINC001552181633 1268405364 /nfs/dbraw/zinc/40/53/64/1268405364.db2.gz VVXIAWPXLBQQAJ-PAYONLEZSA-N 2 0 363.506 0.335 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cn2)CC1 ZINC001552202237 1268408296 /nfs/dbraw/zinc/40/82/96/1268408296.db2.gz FSIGAZOSMBXJIF-QFBILLFUSA-N 2 0 359.474 0.076 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202138 1268408353 /nfs/dbraw/zinc/40/83/53/1268408353.db2.gz AXPHBGPZOLLMDQ-CTNGQTDRSA-N 2 0 372.513 0.676 20 0 FCADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001552214954 1268412599 /nfs/dbraw/zinc/41/25/99/1268412599.db2.gz XIJAICLKNRELRX-KGLIPLIRSA-N 2 0 364.450 0.036 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001552237869 1268418705 /nfs/dbraw/zinc/41/87/05/1268418705.db2.gz CEXPDMUVIVKDDA-MSOLQXFVSA-N 2 0 358.486 0.564 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001552250985 1268421606 /nfs/dbraw/zinc/42/16/06/1268421606.db2.gz FCXMHSYSEOOICO-NJAFHUGGSA-N 2 0 358.486 0.910 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC001552257186 1268423586 /nfs/dbraw/zinc/42/35/86/1268423586.db2.gz JJEAQMPQZITGGC-SIIHOXLZSA-N 2 0 364.494 0.203 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)CC1 ZINC001552258186 1268424946 /nfs/dbraw/zinc/42/49/46/1268424946.db2.gz RJNUFCSKLNNSMA-GOEBONIOSA-N 2 0 364.494 0.313 20 0 FCADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C[C@H]2C1 ZINC001552337673 1268444838 /nfs/dbraw/zinc/44/48/38/1268444838.db2.gz GEJPVIJHAXPXTB-JKQORVJESA-N 2 0 361.494 0.814 20 0 FCADRP Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(F)c3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552429750 1268461080 /nfs/dbraw/zinc/46/10/80/1268461080.db2.gz BOUZPQOLRGSDLA-XHSDSOJGSA-N 2 0 358.421 0.827 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340185180 1268463280 /nfs/dbraw/zinc/46/32/80/1268463280.db2.gz RWVJMIDYJUOTJA-HLLBOEOZSA-N 2 0 356.511 0.482 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436022 1268463717 /nfs/dbraw/zinc/46/37/17/1268463717.db2.gz SBFVWMRRAQPEFD-KRWDZBQOSA-N 2 0 369.473 0.910 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552441277 1268466023 /nfs/dbraw/zinc/46/60/23/1268466023.db2.gz ISNLXOWYEWPCHO-ZMSDIMECSA-N 2 0 362.478 0.480 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)C1 ZINC001552605507 1268489573 /nfs/dbraw/zinc/48/95/73/1268489573.db2.gz WXRUHBUWXMEVSX-IKGGRYGDSA-N 2 0 363.510 0.753 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)cn1 ZINC001552650362 1268509611 /nfs/dbraw/zinc/50/96/11/1268509611.db2.gz BCXJJNQEMZKNBZ-CABCVRRESA-N 2 0 361.454 0.055 20 0 FCADRP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nn1 ZINC001552701108 1268524266 /nfs/dbraw/zinc/52/42/66/1268524266.db2.gz NPXINLYZJYEUNE-ZMSDIMECSA-N 2 0 362.478 0.704 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001340485620 1268563821 /nfs/dbraw/zinc/56/38/21/1268563821.db2.gz UKIGMQCUZTXFBJ-GJZGRUSLSA-N 2 0 369.535 0.205 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957493 1268569041 /nfs/dbraw/zinc/56/90/41/1268569041.db2.gz JHNNDZSIESHBLP-MSOLQXFVSA-N 2 0 357.502 0.905 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996634 1268574605 /nfs/dbraw/zinc/57/46/05/1268574605.db2.gz JSHFJGCFYRCCNT-KMOPNRPKSA-N 2 0 368.522 0.486 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001553013476 1268578482 /nfs/dbraw/zinc/57/84/82/1268578482.db2.gz AZPQBWDHZVDUPM-YVSFHVDLSA-N 2 0 351.491 0.497 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2C[C@@H](n3ccnn3)[C@@H]([NH+](C)C)C2)c1 ZINC001553019343 1268581342 /nfs/dbraw/zinc/58/13/42/1268581342.db2.gz KHFYAOMRJFXALC-JKSUJKDBSA-N 2 0 358.450 0.436 20 0 FCADRP CN1CC[C@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378079 1268640005 /nfs/dbraw/zinc/64/00/05/1268640005.db2.gz JKEYYMGUVVOLDB-APWZRJJASA-N 2 0 363.506 0.278 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@@H]2C1 ZINC001553389261 1268642289 /nfs/dbraw/zinc/64/22/89/1268642289.db2.gz KXMPABRIJGBKTR-UZLBHIALSA-N 2 0 372.469 0.639 20 0 FCADRP COCC(=O)Nc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553397055 1268643317 /nfs/dbraw/zinc/64/33/17/1268643317.db2.gz YQBSYAXXBWPLRS-KXBFYZLASA-N 2 0 360.458 0.429 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412033 1268646686 /nfs/dbraw/zinc/64/66/86/1268646686.db2.gz SPEJJJODYPGHTM-JYJNAYRXSA-N 2 0 366.506 0.249 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)[NH+]1CCN(C)CC1 ZINC001553415593 1268647006 /nfs/dbraw/zinc/64/70/06/1268647006.db2.gz AFGGPEYPINLVQF-IRXDYDNUSA-N 2 0 367.538 0.326 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415277 1268647681 /nfs/dbraw/zinc/64/76/81/1268647681.db2.gz SOGFPNUMMNAEHP-ADHGMGHFSA-N 2 0 350.507 0.523 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001553451187 1268653124 /nfs/dbraw/zinc/65/31/24/1268653124.db2.gz AYCFPMJRGXYQRS-NVXWUHKLSA-N 2 0 366.506 0.555 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@]23CC[C@H]2CC[NH2+]3)CC1 ZINC001553541196 1268666048 /nfs/dbraw/zinc/66/60/48/1268666048.db2.gz KAKPDKFTKHIUQL-YJBOKZPZSA-N 2 0 363.506 0.644 20 0 FCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553545507 1268666676 /nfs/dbraw/zinc/66/66/76/1268666676.db2.gz CHBAANKYSXHGJY-ZSYWTGECSA-N 3 0 361.534 0.985 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]C[C@H]2F)CC1 ZINC001553546269 1268666904 /nfs/dbraw/zinc/66/69/04/1268666904.db2.gz GKJIUOAXJMXSOU-CABCVRRESA-N 2 0 369.485 0.592 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C[C@@H]1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553553619 1268669688 /nfs/dbraw/zinc/66/96/88/1268669688.db2.gz VXUPBFXCMWTLAP-YVSFHVDLSA-N 3 0 353.486 0.687 20 0 FCADRP Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@H]3C2)n1 ZINC001553620487 1268671191 /nfs/dbraw/zinc/67/11/91/1268671191.db2.gz GNLFFKMNPVHHRJ-HDEZJCGLSA-N 2 0 361.490 0.447 20 0 FCADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340891586 1268695339 /nfs/dbraw/zinc/69/53/39/1268695339.db2.gz ATDQHPSQDKBDFE-LJQANCHMSA-N 3 0 361.490 0.215 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)cc2)CC1 ZINC001340902374 1268701135 /nfs/dbraw/zinc/70/11/35/1268701135.db2.gz WUDWGEVUDPBEPB-IBGZPJMESA-N 2 0 357.458 0.043 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341045309 1268758328 /nfs/dbraw/zinc/75/83/28/1268758328.db2.gz KKBJPNDZKIURJN-UHFFFAOYSA-N 2 0 350.463 0.407 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001556855028 1268900027 /nfs/dbraw/zinc/90/00/27/1268900027.db2.gz NZJUYZLSBGKYLC-CABCVRRESA-N 2 0 372.510 0.404 20 0 FCADRP CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC001341293303 1268921943 /nfs/dbraw/zinc/92/19/43/1268921943.db2.gz FNCZLZBNMRTULG-DOTOQJQBSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001341418142 1268984102 /nfs/dbraw/zinc/98/41/02/1268984102.db2.gz POZJMYLHQPAOEQ-XMTFNYHQSA-N 2 0 351.539 0.994 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)o3)CC2)C1 ZINC001341635216 1269123382 /nfs/dbraw/zinc/12/33/82/1269123382.db2.gz VVIJXOZWFVGPSJ-INIZCTEOSA-N 2 0 361.490 0.994 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C34CC(C3)C[NH2+]4)c2)C1 ZINC001341696063 1269155544 /nfs/dbraw/zinc/15/55/44/1269155544.db2.gz JMWZNPJXQCSTJG-OHTSDLOESA-N 2 0 356.470 0.752 20 0 FCADRP C[NH2+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CCC1 ZINC001341733906 1269176411 /nfs/dbraw/zinc/17/64/11/1269176411.db2.gz WBHQIWWDJCRHFP-UHFFFAOYSA-N 2 0 360.462 0.104 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O)[NH+](C)C ZINC001341827783 1269233306 /nfs/dbraw/zinc/23/33/06/1269233306.db2.gz UVARMTNRCRWCFE-IXDOHACOSA-N 2 0 368.522 0.135 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC ZINC001343013415 1269729730 /nfs/dbraw/zinc/72/97/30/1269729730.db2.gz DZPRMFVZCMSASZ-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C ZINC001343115358 1269780203 /nfs/dbraw/zinc/78/02/03/1269780203.db2.gz BPNIBHZRUAXWRO-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP CN(C(=O)CC(O)CC(=O)N(C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC001344524755 1270196462 /nfs/dbraw/zinc/19/64/62/1270196462.db2.gz RRTUTXBWSXGAAN-UHFFFAOYSA-N 2 0 368.522 0.233 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001573067002 1270588916 /nfs/dbraw/zinc/58/89/16/1270588916.db2.gz LBVUZSGAPKHOHY-GVDBMIGSSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001580621383 1278573919 /nfs/dbraw/zinc/57/39/19/1278573919.db2.gz VLYHWWWTCRMQNR-HZPDHXFCSA-N 2 0 371.489 0.987 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574259913 1271129499 /nfs/dbraw/zinc/12/94/99/1271129499.db2.gz BQDZXLAUXDISJI-NSHDSACASA-N 2 0 351.480 0.863 20 0 FCADRP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001574277662 1271154502 /nfs/dbraw/zinc/15/45/02/1271154502.db2.gz TWHRBYVEGMFGNM-AWEZNQCLSA-N 2 0 372.477 0.887 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289055 1271165896 /nfs/dbraw/zinc/16/58/96/1271165896.db2.gz VHPAIHUBHIIYFO-IUODEOHRSA-N 2 0 358.450 0.473 20 0 FCADRP O=C(NC[C@@H]1CCC2(C[NH2+]C2)O1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001580646006 1278621730 /nfs/dbraw/zinc/62/17/30/1278621730.db2.gz QNGXYNJKAVRURV-HOTGVXAUSA-N 2 0 352.479 0.450 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574578583 1271376990 /nfs/dbraw/zinc/37/69/90/1271376990.db2.gz DSWWDYMUTIQGHT-SWLSCSKDSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574593889 1271394065 /nfs/dbraw/zinc/39/40/65/1271394065.db2.gz WJLGLHHBSQJGLZ-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC[NH+](C)C ZINC001574781078 1271514474 /nfs/dbraw/zinc/51/44/74/1271514474.db2.gz HAAAKDJXRHUHEX-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574786759 1271522215 /nfs/dbraw/zinc/52/22/15/1271522215.db2.gz XRLRGGOPEHXRLJ-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853274 1271601545 /nfs/dbraw/zinc/60/15/45/1271601545.db2.gz MHXXHPGAFXGALN-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853275 1271602446 /nfs/dbraw/zinc/60/24/46/1271602446.db2.gz MHXXHPGAFXGALN-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853616 1271603507 /nfs/dbraw/zinc/60/35/07/1271603507.db2.gz RCXPOWIWOZWGIJ-GFCCVEGCSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574854626 1271607335 /nfs/dbraw/zinc/60/73/35/1271607335.db2.gz RFVSQFZUTKTAEU-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870872 1271622873 /nfs/dbraw/zinc/62/28/73/1271622873.db2.gz DWQRNCQVJDPTGG-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875658 1271630069 /nfs/dbraw/zinc/63/00/69/1271630069.db2.gz YAIJBYNNLBBTRV-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884263 1271641802 /nfs/dbraw/zinc/64/18/02/1271641802.db2.gz FVYXWWXEAVSRGE-IUODEOHRSA-N 2 0 370.461 0.190 20 0 FCADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896799 1271658978 /nfs/dbraw/zinc/65/89/78/1271658978.db2.gz INKRAXJBKQYZMT-CHWSQXEVSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896672 1271659592 /nfs/dbraw/zinc/65/95/92/1271659592.db2.gz GGRVIWKBMQIMQY-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCSCC1 ZINC001575047948 1271699421 /nfs/dbraw/zinc/69/94/21/1271699421.db2.gz GJCYHRASOVAMGD-OIISXLGYSA-N 3 0 352.548 0.851 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCO3)CC1 ZINC001575140789 1271741803 /nfs/dbraw/zinc/74/18/03/1271741803.db2.gz JFFRGXRCLPKLIJ-HNAYVOBHSA-N 2 0 366.506 0.108 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183397 1271773017 /nfs/dbraw/zinc/77/30/17/1271773017.db2.gz HZQWTWGFUNWYDI-CRAIPNDOSA-N 2 0 354.495 0.338 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cnnn1C1C[NH2+]C1 ZINC001580661370 1278663741 /nfs/dbraw/zinc/66/37/41/1278663741.db2.gz TZNCYIAWMXQCSR-INIZCTEOSA-N 2 0 356.430 0.053 20 0 FCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575403513 1272053834 /nfs/dbraw/zinc/05/38/34/1272053834.db2.gz WTGSZZZDWNNNSP-KBPBESRZSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001575439821 1272109448 /nfs/dbraw/zinc/10/94/48/1272109448.db2.gz QOOHJEQWKPZUDY-STQMWFEESA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001575439820 1272109522 /nfs/dbraw/zinc/10/95/22/1272109522.db2.gz QOOHJEQWKPZUDY-QWHCGFSZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001575439799 1272110154 /nfs/dbraw/zinc/11/01/54/1272110154.db2.gz QGOKOHLHGPVDTP-UONOGXRCSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H](C[C@@H](C)[NH2+]Cc1cnn[nH]1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575509475 1272174211 /nfs/dbraw/zinc/17/42/11/1272174211.db2.gz IGPDMJKCLRHHTD-ZIAGYGMSSA-N 2 0 352.483 0.536 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)C[NH3+])CC1 ZINC001575698011 1272318128 /nfs/dbraw/zinc/31/81/28/1272318128.db2.gz KNVKQRKOSYMCMP-CYBMUJFWSA-N 2 0 358.437 0.906 20 0 FCADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001575920861 1272560656 /nfs/dbraw/zinc/56/06/56/1272560656.db2.gz BSYABKAPTFHEAE-SUYBPPKGSA-N 2 0 360.458 0.922 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH3+])CC1 ZINC001575998930 1272678831 /nfs/dbraw/zinc/67/88/31/1272678831.db2.gz SGMOGAWYOREKBC-CABCVRRESA-N 2 0 363.510 0.745 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001576002894 1272684049 /nfs/dbraw/zinc/68/40/49/1272684049.db2.gz DNGMCGMPERSCPP-ZDUSSCGKSA-N 2 0 357.499 0.964 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576114144 1272904615 /nfs/dbraw/zinc/90/46/15/1272904615.db2.gz FMBJRPBZYKSIJH-STQMWFEESA-N 2 0 358.450 0.427 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576114142 1272904651 /nfs/dbraw/zinc/90/46/51/1272904651.db2.gz FMBJRPBZYKSIJH-CHWSQXEVSA-N 2 0 358.450 0.427 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576116807 1272913202 /nfs/dbraw/zinc/91/32/02/1272913202.db2.gz YQZGWQOUKZLQBV-XUXIUFHCSA-N 2 0 370.461 0.616 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576231213 1272997699 /nfs/dbraw/zinc/99/76/99/1272997699.db2.gz GMWZKBCXFQDGEU-IUODEOHRSA-N 2 0 368.445 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576247419 1273030238 /nfs/dbraw/zinc/03/02/38/1273030238.db2.gz PGGDVALKDNIHMS-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486385 1273335457 /nfs/dbraw/zinc/33/54/57/1273335457.db2.gz UZJFZDWVFMVVCH-JKSUJKDBSA-N 2 0 350.467 0.386 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576499948 1273363891 /nfs/dbraw/zinc/36/38/91/1273363891.db2.gz VDPAXSPZWFDCHL-OCCSQVGLSA-N 2 0 358.450 0.605 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576500828 1273365990 /nfs/dbraw/zinc/36/59/90/1273365990.db2.gz ZQFNYQWYAWUSQE-CABCVRRESA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@H](C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576506388 1273374946 /nfs/dbraw/zinc/37/49/46/1273374946.db2.gz PHYMCCDDCDHJQE-CQSZACIVSA-N 2 0 360.466 0.935 20 0 FCADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576506709 1273376567 /nfs/dbraw/zinc/37/65/67/1273376567.db2.gz STFJSNQLEOISPF-HNNXBMFYSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576506710 1273378295 /nfs/dbraw/zinc/37/82/95/1273378295.db2.gz STFJSNQLEOISPF-OAHLLOKOSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC001576510964 1273385930 /nfs/dbraw/zinc/38/59/30/1273385930.db2.gz KBTYCDCAWUEFCX-GOSISDBHSA-N 2 0 354.495 0.555 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576511930 1273386425 /nfs/dbraw/zinc/38/64/25/1273386425.db2.gz GMWNWJPUURGVPN-IIAWOOMASA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576514652 1273394387 /nfs/dbraw/zinc/39/43/87/1273394387.db2.gz CXEVCNNCAUBJQZ-OCCSQVGLSA-N 2 0 360.466 0.851 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576515156 1273397051 /nfs/dbraw/zinc/39/70/51/1273397051.db2.gz FJXDCFDIILSRQW-YDHLFZDLSA-N 2 0 370.461 0.700 20 0 FCADRP CC[C@@H](C(=O)NC1CC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576520679 1273403917 /nfs/dbraw/zinc/40/39/17/1273403917.db2.gz QVCRVWAAHLBMFS-ZUEPYMLJSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576520619 1273403977 /nfs/dbraw/zinc/40/39/77/1273403977.db2.gz QEAFCUKYZWWTIJ-ABAIWWIYSA-N 2 0 360.466 0.639 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001576715144 1273585456 /nfs/dbraw/zinc/58/54/56/1273585456.db2.gz SXJGSYJVSHZVSH-KFWWJZLASA-N 2 0 366.535 0.536 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001576729520 1273598902 /nfs/dbraw/zinc/59/89/02/1273598902.db2.gz PYOYTVXDPUDPME-OAHLLOKOSA-N 2 0 351.495 0.370 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C1=NOC2(C[NH2+]C2)C1 ZINC001580721631 1278799110 /nfs/dbraw/zinc/79/91/10/1278799110.db2.gz NBMKNXOPVPGGCE-UHFFFAOYSA-N 2 0 358.442 0.378 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CCc3c[nH]nn3)CC2)cn1 ZINC001576751076 1273621475 /nfs/dbraw/zinc/62/14/75/1273621475.db2.gz ZRBUOEBIBRQCFQ-UHFFFAOYSA-N 2 0 374.493 0.247 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788746 1273684182 /nfs/dbraw/zinc/68/41/82/1273684182.db2.gz CPKDEABZROZHAE-HOCLYGCPSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794620 1273697770 /nfs/dbraw/zinc/69/77/70/1273697770.db2.gz FCKFYVMWBRUPHP-HZPDHXFCSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576825272 1273748938 /nfs/dbraw/zinc/74/89/38/1273748938.db2.gz UWRXHAKGEJPIGO-MRXNPFEDSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)[NH+](C)C)CC[NH2+]1 ZINC001576825584 1273749931 /nfs/dbraw/zinc/74/99/31/1273749931.db2.gz JACHJENPXHCYIW-CJNGLKHVSA-N 2 0 356.478 0.873 20 0 FCADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576825868 1273752589 /nfs/dbraw/zinc/75/25/89/1273752589.db2.gz XMHBEMYDSADHNF-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828553 1273754602 /nfs/dbraw/zinc/75/46/02/1273754602.db2.gz IHNKCSFPNPHLDR-HOCLYGCPSA-N 2 0 361.538 0.965 20 0 FCADRP C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576840004 1273778354 /nfs/dbraw/zinc/77/83/54/1273778354.db2.gz YFWAIWXXKODHHI-KSSFIOAISA-N 2 0 350.511 0.731 20 0 FCADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847528 1273792510 /nfs/dbraw/zinc/79/25/10/1273792510.db2.gz GEUSXKJMWYBIJN-IHRRRGAJSA-N 2 0 372.477 0.721 20 0 FCADRP CC[C@H](CO)[NH+]1CCN(C(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC001577089330 1274146770 /nfs/dbraw/zinc/14/67/70/1274146770.db2.gz KSWIUOXWVHZJQO-CQSZACIVSA-N 2 0 358.483 0.097 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@]2(C)C[NH2+]CCO2)CC1 ZINC001577230281 1274266013 /nfs/dbraw/zinc/26/60/13/1274266013.db2.gz FMEFKZZCBNGZDY-KRWDZBQOSA-N 2 0 354.495 0.651 20 0 FCADRP CC[C@H]1CN(c2nnc(C)n2C[C@@H]2C[C@H]3C[NH2+]C[C@@H]23)CC[N@@H+]1CCOC ZINC001577292802 1274310005 /nfs/dbraw/zinc/31/00/05/1274310005.db2.gz WYQOYBFURBIZRI-XLAORIBOSA-N 2 0 362.522 0.989 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499479 1274456291 /nfs/dbraw/zinc/45/62/91/1274456291.db2.gz MLFKYRSCETXHTC-ILXRZTDVSA-N 2 0 363.510 0.745 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1 ZINC001577535902 1274476692 /nfs/dbraw/zinc/47/66/92/1274476692.db2.gz KDTNEXUJABCGDJ-LSDHHAIUSA-N 2 0 361.494 0.513 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558475 1274501992 /nfs/dbraw/zinc/50/19/92/1274501992.db2.gz JSUIIAXHOBAJCG-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577560629 1274508027 /nfs/dbraw/zinc/50/80/27/1274508027.db2.gz GXGZXGXDYJEYFZ-OAHLLOKOSA-N 2 0 360.466 0.578 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562866 1274514425 /nfs/dbraw/zinc/51/44/25/1274514425.db2.gz HUXLCCPXUOTUJG-AWEZNQCLSA-N 2 0 372.477 0.854 20 0 FCADRP CCC[N@H+](C)CC(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577563011 1274516977 /nfs/dbraw/zinc/51/69/77/1274516977.db2.gz KCKJLRNMOQFELQ-UHFFFAOYSA-N 2 0 360.466 0.854 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577567862 1274524595 /nfs/dbraw/zinc/52/45/95/1274524595.db2.gz JMTPSYLCIDVKLY-DZGCQCFKSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668158 1274690065 /nfs/dbraw/zinc/69/00/65/1274690065.db2.gz IWRRZBURPUELII-DOMZBBRYSA-N 2 0 358.450 0.475 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCC[NH3+])CC1 ZINC001577684700 1274738535 /nfs/dbraw/zinc/73/85/35/1274738535.db2.gz IALJQFDZUHCVAK-UHFFFAOYSA-N 2 0 363.510 0.495 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001577684749 1274739949 /nfs/dbraw/zinc/73/99/49/1274739949.db2.gz JEVXDBYGMPQCHA-JJXSEGSLSA-N 2 0 357.520 0.199 20 0 FCADRP CC[N@H+](CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@@H](C(N)=O)C1)C(C)C ZINC001577731128 1274807481 /nfs/dbraw/zinc/80/74/81/1274807481.db2.gz HORQDGVGRGOFRH-KFWWJZLASA-N 2 0 363.510 0.525 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577759518 1274839446 /nfs/dbraw/zinc/83/94/46/1274839446.db2.gz GZBAQKLTONMWRY-MCIONIFRSA-N 2 0 351.499 0.682 20 0 FCADRP CC[NH+]1CCN(C2CN(C(=O)C3([C@]4(O)CCC[NH2+]C4)CCC3)C2)CC1 ZINC001577775762 1274865260 /nfs/dbraw/zinc/86/52/60/1274865260.db2.gz POCJRQZMMMMHGS-IBGZPJMESA-N 2 0 350.507 0.120 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)CC[N@H+](C)CC ZINC001577849616 1274984680 /nfs/dbraw/zinc/98/46/80/1274984680.db2.gz UBIMXTBZMISPGL-UHFFFAOYSA-N 2 0 360.466 0.594 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577855770 1275007678 /nfs/dbraw/zinc/00/76/78/1275007678.db2.gz PMTMJLJPNYGFOW-GXTWGEPZSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859964 1275022735 /nfs/dbraw/zinc/02/27/35/1275022735.db2.gz QGVACRVBEPMKTI-STQMWFEESA-N 2 0 360.466 0.639 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860488 1275022809 /nfs/dbraw/zinc/02/28/09/1275022809.db2.gz XQGIUEGZPZMJIE-QWHCGFSZSA-N 2 0 360.466 0.721 20 0 FCADRP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001577861659 1275028487 /nfs/dbraw/zinc/02/84/87/1275028487.db2.gz YYPWZXFBCUSJMI-ZBFHGGJFSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862867 1275029488 /nfs/dbraw/zinc/02/94/88/1275029488.db2.gz LYHCPSLLTFJPIB-ZFWWWQNUSA-N 2 0 372.477 0.722 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577872198 1275061556 /nfs/dbraw/zinc/06/15/56/1275061556.db2.gz WDYOIGQJZTWPGJ-WKILWMFISA-N 2 0 357.462 0.945 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577885495 1275089679 /nfs/dbraw/zinc/08/96/79/1275089679.db2.gz FEBONTZRVMBQNB-GXTWGEPZSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577886099 1275090769 /nfs/dbraw/zinc/09/07/69/1275090769.db2.gz XJSRBBRRPDWDKK-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577888627 1275095459 /nfs/dbraw/zinc/09/54/59/1275095459.db2.gz RLRNNLBJGHHJFX-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895828 1275107669 /nfs/dbraw/zinc/10/76/69/1275107669.db2.gz PELTXXKVNBZVFT-AWEZNQCLSA-N 2 0 372.477 0.854 20 0 FCADRP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nn[nH]n1 ZINC001577934498 1275149056 /nfs/dbraw/zinc/14/90/56/1275149056.db2.gz TYGPJVJVMZJESV-UHFFFAOYSA-N 2 0 369.473 0.901 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945155 1275162465 /nfs/dbraw/zinc/16/24/65/1275162465.db2.gz BIQRHLMHEDSVFY-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577975405 1275201369 /nfs/dbraw/zinc/20/13/69/1275201369.db2.gz BBJFUXAXOXVXOJ-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578045283 1275334587 /nfs/dbraw/zinc/33/45/87/1275334587.db2.gz KDPSKUSGQNQTLR-CHWSQXEVSA-N 2 0 358.450 0.544 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001578107641 1275411091 /nfs/dbraw/zinc/41/10/91/1275411091.db2.gz RUJHFVMICAOPOX-UHFFFAOYSA-N 2 0 372.477 0.594 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001578110123 1275412173 /nfs/dbraw/zinc/41/21/73/1275412173.db2.gz WVWNJQNIXFQCLO-ZDUSSCGKSA-N 2 0 358.450 0.204 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001578110008 1275412301 /nfs/dbraw/zinc/41/23/01/1275412301.db2.gz RIKGMGBLONTVLX-MRXNPFEDSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219762 1275516903 /nfs/dbraw/zinc/51/69/03/1275516903.db2.gz QCMHMJVILZFFIH-CZUORRHYSA-N 2 0 372.477 0.865 20 0 FCADRP CCc1nnc(N2CCC[C@H]([NH2+]C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578321172 1275661499 /nfs/dbraw/zinc/66/14/99/1275661499.db2.gz MFBKSQAYMWTSMQ-HNNXBMFYSA-N 2 0 350.511 0.876 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001578397583 1275772337 /nfs/dbraw/zinc/77/23/37/1275772337.db2.gz RGJXDHINBDKCKB-LSDHHAIUSA-N 2 0 353.511 0.616 20 0 FCADRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3=NO[C@@]4(CC[NH2+]C4)C3)nc2)C1 ZINC001578410778 1275782500 /nfs/dbraw/zinc/78/25/00/1275782500.db2.gz LSIHHOFLSFJODE-KDOFPFPSSA-N 2 0 358.446 0.669 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001578418934 1275787590 /nfs/dbraw/zinc/78/75/90/1275787590.db2.gz QRZIAHWAXXWISM-OAHLLOKOSA-N 2 0 352.504 0.836 20 0 FCADRP CN(C[C@H]1CCCO1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001578525802 1275957236 /nfs/dbraw/zinc/95/72/36/1275957236.db2.gz QLTVWPHYEGVNOV-BASYENTBSA-N 2 0 364.494 0.165 20 0 FCADRP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCSC1 ZINC001578525745 1275957787 /nfs/dbraw/zinc/95/77/87/1275957787.db2.gz OUGQGSHCIVYKSM-QDEZUTFSSA-N 2 0 366.535 0.491 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001578525932 1275960198 /nfs/dbraw/zinc/96/01/98/1275960198.db2.gz UIFYZADFNHBSTQ-QFBILLFUSA-N 2 0 374.464 0.612 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528709 1275960337 /nfs/dbraw/zinc/96/03/37/1275960337.db2.gz LCTXTQNOZUNSBI-CHWSQXEVSA-N 2 0 351.417 0.464 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001578533580 1275964284 /nfs/dbraw/zinc/96/42/84/1275964284.db2.gz OCAJWIUULYETOO-QFBILLFUSA-N 2 0 352.523 0.759 20 0 FCADRP C[NH2+]C[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001578671318 1276123647 /nfs/dbraw/zinc/12/36/47/1276123647.db2.gz INTDTZDCLGZLSU-YJBOKZPZSA-N 2 0 350.511 0.589 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCN(CC(=O)OC)CC2)CC1 ZINC001578680576 1276133298 /nfs/dbraw/zinc/13/32/98/1276133298.db2.gz VCQBOYINJINMSM-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578972942 1276518894 /nfs/dbraw/zinc/51/88/94/1276518894.db2.gz GDUHCUCCEPDSCB-UHFFFAOYSA-N 2 0 357.462 0.897 20 0 FCADRP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578972968 1276519425 /nfs/dbraw/zinc/51/94/25/1276519425.db2.gz HEWFLZVNASWSOZ-UHFFFAOYSA-N 2 0 360.466 0.532 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578975778 1276526139 /nfs/dbraw/zinc/52/61/39/1276526139.db2.gz ICRPNRQGOOUBPV-UHFFFAOYSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578977408 1276532237 /nfs/dbraw/zinc/53/22/37/1276532237.db2.gz NWLWLPAJUJXRIM-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001578978923 1276537726 /nfs/dbraw/zinc/53/77/26/1276537726.db2.gz QUCYYHCHFFNHGU-ZDUSSCGKSA-N 2 0 363.491 0.864 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578979234 1276539361 /nfs/dbraw/zinc/53/93/61/1276539361.db2.gz XWGQETHGBOQBDS-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578980257 1276540182 /nfs/dbraw/zinc/54/01/82/1276540182.db2.gz FEAQDHCMQYAQRN-LBPRGKRZSA-N 2 0 363.491 0.818 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578980133 1276540350 /nfs/dbraw/zinc/54/03/50/1276540350.db2.gz BCXINXZOGUYSSI-OSYLJGHBSA-N 2 0 369.473 0.612 20 0 FCADRP CN(C(=O)CCC[NH+](C)C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982147 1276544064 /nfs/dbraw/zinc/54/40/64/1276544064.db2.gz GDJUCZAHQFHFBD-UHFFFAOYSA-N 2 0 358.450 0.427 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578985280 1276550807 /nfs/dbraw/zinc/55/08/07/1276550807.db2.gz FPIOPMRBVBCICW-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578987749 1276557207 /nfs/dbraw/zinc/55/72/07/1276557207.db2.gz PWMMDGHFTNXVHJ-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578991257 1276565746 /nfs/dbraw/zinc/56/57/46/1276565746.db2.gz SJVAMWFZZBUQRN-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578991280 1276565871 /nfs/dbraw/zinc/56/58/71/1276565871.db2.gz UVRPJOXHSNWAMT-JOCQHMNTSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578991258 1276565926 /nfs/dbraw/zinc/56/59/26/1276565926.db2.gz SJVAMWFZZBUQRN-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001578991259 1276566041 /nfs/dbraw/zinc/56/60/41/1276566041.db2.gz STZWHANMDSDAAD-UHFFFAOYSA-N 2 0 366.857 0.481 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[nH]n3)c2)C[C@H]1C[NH+](C)C ZINC001578992544 1276567757 /nfs/dbraw/zinc/56/77/57/1276567757.db2.gz ZCPUGTFBEKBLHE-CHWSQXEVSA-N 2 0 373.465 0.465 20 0 FCADRP COCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@H]([NH3+])C1 ZINC001579014329 1276588017 /nfs/dbraw/zinc/58/80/17/1276588017.db2.gz LTRHUKYWMBCAON-HNNXBMFYSA-N 2 0 361.494 0.789 20 0 FCADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037170 1276620082 /nfs/dbraw/zinc/62/00/82/1276620082.db2.gz IRELVHVIISYJGC-HRCADAONSA-N 2 0 354.495 0.047 20 0 FCADRP COCCOCCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001579072172 1276681299 /nfs/dbraw/zinc/68/12/99/1276681299.db2.gz FMLPNTLVQUXQLP-INIZCTEOSA-N 2 0 366.510 0.896 20 0 FCADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579134321 1276831541 /nfs/dbraw/zinc/83/15/41/1276831541.db2.gz SKDAZQJFQAIJEF-UHFFFAOYSA-N 2 0 357.462 0.853 20 0 FCADRP CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168721 1276921896 /nfs/dbraw/zinc/92/18/96/1276921896.db2.gz IVJQJPZLXPKQPY-CJNGLKHVSA-N 2 0 370.461 0.831 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001579214435 1277009168 /nfs/dbraw/zinc/00/91/68/1277009168.db2.gz CMTODHVUMVQWPY-CJNGLKHVSA-N 2 0 370.461 0.571 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001579215105 1277011017 /nfs/dbraw/zinc/01/10/17/1277011017.db2.gz XYJHDGYTGMQOKP-BBRMVZONSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579256377 1277052874 /nfs/dbraw/zinc/05/28/74/1277052874.db2.gz UUZOGMDIOLERTH-SJORKVTESA-N 2 0 369.473 0.994 20 0 FCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322740 1277138474 /nfs/dbraw/zinc/13/84/74/1277138474.db2.gz GKLBBTPTHWPJJB-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325881 1277147598 /nfs/dbraw/zinc/14/75/98/1277147598.db2.gz LDVADDRWPBQLDC-CYBMUJFWSA-N 2 0 372.477 0.532 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001579326597 1277149145 /nfs/dbraw/zinc/14/91/45/1277149145.db2.gz PTRAPXXOKXPWNO-UHFFFAOYSA-N 2 0 358.450 0.286 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579326600 1277150336 /nfs/dbraw/zinc/15/03/36/1277150336.db2.gz KTYLOENEQNQVRD-LBPRGKRZSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327895 1277154243 /nfs/dbraw/zinc/15/42/43/1277154243.db2.gz YKFFTTQOYOVANM-HOTGVXAUSA-N 2 0 369.473 0.899 20 0 FCADRP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001579327786 1277155774 /nfs/dbraw/zinc/15/57/74/1277155774.db2.gz XNAHEUTYNMFOIX-CYBMUJFWSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328473 1277156699 /nfs/dbraw/zinc/15/66/99/1277156699.db2.gz CNONOYHVUBNDPZ-QGZVFWFLSA-N 2 0 369.473 0.853 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579328638 1277157562 /nfs/dbraw/zinc/15/75/62/1277157562.db2.gz HSOYJFAVKUHXGN-CVEARBPZSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333189 1277165701 /nfs/dbraw/zinc/16/57/01/1277165701.db2.gz OTQLCWRINTWVIA-IUODEOHRSA-N 2 0 372.477 0.578 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579334487 1277170451 /nfs/dbraw/zinc/17/04/51/1277170451.db2.gz YADKAPYIXRDWHR-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579334855 1277173753 /nfs/dbraw/zinc/17/37/53/1277173753.db2.gz IGHAJYDNDSUMMQ-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335978 1277179356 /nfs/dbraw/zinc/17/93/56/1277179356.db2.gz XNPKCXWZGBNFTM-HZPDHXFCSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335980 1277179542 /nfs/dbraw/zinc/17/95/42/1277179542.db2.gz XNPKCXWZGBNFTM-JKSUJKDBSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579338351 1277180688 /nfs/dbraw/zinc/18/06/88/1277180688.db2.gz KMHYCKKCAIYIOO-XBXGTLAGSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346542 1277199231 /nfs/dbraw/zinc/19/92/31/1277199231.db2.gz RJTCDBOIQNBYQF-ZBFHGGJFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346200 1277199803 /nfs/dbraw/zinc/19/98/03/1277199803.db2.gz ZMBBYIJBABRQMR-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353123 1277209531 /nfs/dbraw/zinc/20/95/31/1277209531.db2.gz DWCZXHNDIPJZJV-CJNGLKHVSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353634 1277215194 /nfs/dbraw/zinc/21/51/94/1277215194.db2.gz QOFMJNZFHVQMPA-GDBMZVCRSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353908 1277216936 /nfs/dbraw/zinc/21/69/36/1277216936.db2.gz WNGMPCBLNKKMBJ-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353907 1277217746 /nfs/dbraw/zinc/21/77/46/1277217746.db2.gz WNGMPCBLNKKMBJ-DOTOQJQBSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358880 1277229832 /nfs/dbraw/zinc/22/98/32/1277229832.db2.gz LCMSOJYWQIQGFM-IRXDYDNUSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359140 1277231977 /nfs/dbraw/zinc/23/19/77/1277231977.db2.gz OWOZQQBMZFBPIL-KZSQQDEKSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579362099 1277237846 /nfs/dbraw/zinc/23/78/46/1277237846.db2.gz QBJVVSAZAUSQGU-GVXVVHGQSA-N 2 0 361.475 0.759 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363107 1277242243 /nfs/dbraw/zinc/24/22/43/1277242243.db2.gz WCZXGOGHGVFPIV-DZKIICNBSA-N 2 0 373.436 0.837 20 0 FCADRP CS[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1[NH+]1CCCC1 ZINC001579370483 1277253436 /nfs/dbraw/zinc/25/34/36/1277253436.db2.gz QXLPOTBQFIZYJN-CABCVRRESA-N 2 0 352.508 0.669 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381342 1277258240 /nfs/dbraw/zinc/25/82/40/1277258240.db2.gz UWAIRXLDFAQIBG-HLLBOEOZSA-N 2 0 367.457 0.856 20 0 FCADRP C[C@@H]([NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001579404009 1277286656 /nfs/dbraw/zinc/28/66/56/1277286656.db2.gz BOGMSXFIICCBBD-ZIAGYGMSSA-N 2 0 363.510 0.887 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cnn(C)c2)n1CC[NH3+] ZINC001579490172 1277402526 /nfs/dbraw/zinc/40/25/26/1277402526.db2.gz FUYFTSISZWVVKX-AWEZNQCLSA-N 2 0 374.493 0.327 20 0 FCADRP NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[NH+]2CCCC2)C1 ZINC001580089106 1278003874 /nfs/dbraw/zinc/00/38/74/1278003874.db2.gz KFXYKWFUXNUMTL-GJZGRUSLSA-N 2 0 361.494 0.500 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]CCNc2ncccc2-c2nn[nH]n2)CC1 ZINC001603171358 1287321542 /nfs/dbraw/zinc/32/15/42/1287321542.db2.gz JYRWSXZLVOGFOA-UHFFFAOYSA-N 2 0 360.466 0.499 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC001580222544 1278045211 /nfs/dbraw/zinc/04/52/11/1278045211.db2.gz XBVSWOPULKVCAU-HZPDHXFCSA-N 2 0 353.511 0.781 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccco1 ZINC001714390422 1287321083 /nfs/dbraw/zinc/32/10/83/1287321083.db2.gz FRMAVTOKTRPFGA-SQWLQELKSA-N 2 0 350.463 0.578 20 0 FCADRP Cc1cc(N(CCNC(=O)CC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949949 1279156503 /nfs/dbraw/zinc/15/65/03/1279156503.db2.gz VENNBAAHQMEUJN-UHFFFAOYSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958799 1279161600 /nfs/dbraw/zinc/16/16/00/1279161600.db2.gz KZLGNADIYMDOOC-XJKSGUPXSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960389 1279164183 /nfs/dbraw/zinc/16/41/83/1279164183.db2.gz DDDPCMAUOVPBSJ-UONOGXRCSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974849 1279176166 /nfs/dbraw/zinc/17/61/66/1279176166.db2.gz XOBGEBBPRMUTNC-RDBSUJKOSA-N 2 0 368.445 0.311 20 0 FCADRP Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580986822 1279182017 /nfs/dbraw/zinc/18/20/17/1279182017.db2.gz CWRBKYKRFPMUMU-QWHCGFSZSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987837 1279187378 /nfs/dbraw/zinc/18/73/78/1279187378.db2.gz FMNUUAVYUSKNDU-OLZOCXBDSA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988985 1279188399 /nfs/dbraw/zinc/18/83/99/1279188399.db2.gz VBMJWNNGVIWKRU-WCQYABFASA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990018 1279190425 /nfs/dbraw/zinc/19/04/25/1279190425.db2.gz PAVDPEMMOIZELC-CHWSQXEVSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990419 1279192343 /nfs/dbraw/zinc/19/23/43/1279192343.db2.gz QJKPIYIAUIZSQK-CHWSQXEVSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994252 1279200456 /nfs/dbraw/zinc/20/04/56/1279200456.db2.gz SVBOZECQFWFBEQ-XJKSGUPXSA-N 2 0 372.477 0.496 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994989 1279204223 /nfs/dbraw/zinc/20/42/23/1279204223.db2.gz VEXYASVSBXWYPE-UONOGXRCSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003524 1279221356 /nfs/dbraw/zinc/22/13/56/1279221356.db2.gz DLNZTXOUOSOXJW-BBRMVZONSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006072 1279225480 /nfs/dbraw/zinc/22/54/80/1279225480.db2.gz JZIVWTNUINVZTI-MRXNPFEDSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008549 1279232768 /nfs/dbraw/zinc/23/27/68/1279232768.db2.gz LPAAQSWMGKQQBK-LRDDRELGSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010409 1279237022 /nfs/dbraw/zinc/23/70/22/1279237022.db2.gz MJILLUXBBKSEJP-MLGOLLRUSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581017204 1279248388 /nfs/dbraw/zinc/24/83/88/1279248388.db2.gz VVAJQZMOPNLCFF-INIZCTEOSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025026 1279256210 /nfs/dbraw/zinc/25/62/10/1279256210.db2.gz NGSGDWYWIFALBN-TZMCWYRMSA-N 2 0 372.477 0.450 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025865 1279257699 /nfs/dbraw/zinc/25/76/99/1279257699.db2.gz HNEDIDLSXOHSRQ-GFCCVEGCSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(N[C@H](CCNC(=O)CC[NH+](C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581035774 1279271931 /nfs/dbraw/zinc/27/19/31/1279271931.db2.gz HMFNAFQDNPPFGI-OAHLLOKOSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581037578 1279273361 /nfs/dbraw/zinc/27/33/61/1279273361.db2.gz HZCJNCPZPSOVJY-BETUJISGSA-N 2 0 358.450 0.393 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001716795445 1287389841 /nfs/dbraw/zinc/38/98/41/1287389841.db2.gz RDJCWYBNDBVNSI-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581809054 1280550732 /nfs/dbraw/zinc/55/07/32/1280550732.db2.gz BSTACBWNERYHLT-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001583001610 1282062023 /nfs/dbraw/zinc/06/20/23/1282062023.db2.gz KWJGJUXOTRAKHT-BRWVUGGUSA-N 2 0 368.522 0.186 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC1=O ZINC001631800975 1282114022 /nfs/dbraw/zinc/11/40/22/1282114022.db2.gz GOISQTDTKVWHOS-BDXSIMOUSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001636937291 1282546404 /nfs/dbraw/zinc/54/64/04/1282546404.db2.gz VUMNPKYSLSMVFM-OAHLLOKOSA-N 2 0 360.462 0.799 20 0 FCADRP CC(C)(C[NH3+])C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589277924 1282826620 /nfs/dbraw/zinc/82/66/20/1282826620.db2.gz HIOMXSGYVDGIHH-UHFFFAOYSA-N 2 0 357.462 0.932 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001589676602 1282935231 /nfs/dbraw/zinc/93/52/31/1282935231.db2.gz GIUAVJMVUWHVLW-UHFFFAOYSA-N 2 0 363.441 0.942 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001589716718 1282961169 /nfs/dbraw/zinc/96/11/69/1282961169.db2.gz LGAYUEOAZZCHAW-CJNGLKHVSA-N 2 0 370.461 0.569 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(OC)c2)CC1 ZINC001604345617 1287609614 /nfs/dbraw/zinc/60/96/14/1287609614.db2.gz UKEDKUIKADTBTC-UHFFFAOYSA-N 2 0 359.478 0.993 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001589815909 1283049672 /nfs/dbraw/zinc/04/96/72/1283049672.db2.gz WDBPUTUIPLBZOA-ZDUSSCGKSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001589815908 1283050761 /nfs/dbraw/zinc/05/07/61/1283050761.db2.gz WDBPUTUIPLBZOA-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001589827714 1283065691 /nfs/dbraw/zinc/06/56/91/1283065691.db2.gz CPWXDMYTJLPDOR-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001589828119 1283066222 /nfs/dbraw/zinc/06/62/22/1283066222.db2.gz MSRQQEHLLGDVOR-CQSZACIVSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589912656 1283120050 /nfs/dbraw/zinc/12/00/50/1283120050.db2.gz KMTRZRBKUFKFJI-STQMWFEESA-N 2 0 372.477 0.866 20 0 FCADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956958 1283146965 /nfs/dbraw/zinc/14/69/65/1283146965.db2.gz FBVSJYWQMSTBKJ-BBRMVZONSA-N 2 0 358.446 0.846 20 0 FCADRP C[C@@]1(O)CC[N@H+](Cc2cc(C[NH+]3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150470 1283246056 /nfs/dbraw/zinc/24/60/56/1283246056.db2.gz QYABYZLYHIAKNJ-KDURUIRLSA-N 2 0 372.473 0.780 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH3+] ZINC001590192628 1283298732 /nfs/dbraw/zinc/29/87/32/1283298732.db2.gz VITMZUYAFKHUMV-OCVGTWLNSA-N 2 0 360.462 0.912 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270619 1283395974 /nfs/dbraw/zinc/39/59/74/1283395974.db2.gz CWEZVKSLVAGPPD-IBUXWKBASA-N 2 0 356.434 0.110 20 0 FCADRP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001590269187 1283396620 /nfs/dbraw/zinc/39/66/20/1283396620.db2.gz QSYHJMCVPMLISO-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001590368081 1283504527 /nfs/dbraw/zinc/50/45/27/1283504527.db2.gz URJRHDFUTAKTAS-HNNXBMFYSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001590368082 1283504698 /nfs/dbraw/zinc/50/46/98/1283504698.db2.gz URJRHDFUTAKTAS-OAHLLOKOSA-N 2 0 363.441 0.894 20 0 FCADRP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001590370742 1283506451 /nfs/dbraw/zinc/50/64/51/1283506451.db2.gz UHQXXNRGRVXKKA-OGZRUICASA-N 2 0 357.462 0.969 20 0 FCADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC001590376731 1283509384 /nfs/dbraw/zinc/50/93/84/1283509384.db2.gz LNPCGXJPODPRIL-JTQLQIEISA-N 2 0 363.470 0.847 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001719066780 1287648275 /nfs/dbraw/zinc/64/82/75/1287648275.db2.gz UFDZFCVHPUNMEB-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001590711314 1283745880 /nfs/dbraw/zinc/74/58/80/1283745880.db2.gz NGYVVVVIFDKYJM-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590732495 1283765504 /nfs/dbraw/zinc/76/55/04/1283765504.db2.gz HVMKFHSNRAHTMB-HNNXBMFYSA-N 2 0 372.477 0.750 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590733293 1283766348 /nfs/dbraw/zinc/76/63/48/1283766348.db2.gz NDRGBOLNIWDUPB-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001590733259 1283767049 /nfs/dbraw/zinc/76/70/49/1283767049.db2.gz MPMTTYHZZWXEGJ-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001683308307 1283938703 /nfs/dbraw/zinc/93/87/03/1283938703.db2.gz PVQCVHQYJAHATN-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001590866569 1283939532 /nfs/dbraw/zinc/93/95/32/1283939532.db2.gz KEEXXPREALEWSZ-IUODEOHRSA-N 2 0 360.466 0.721 20 0 FCADRP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591012970 1284072648 /nfs/dbraw/zinc/07/26/48/1284072648.db2.gz MQGSENHLHZNYSL-ONEGZZNKSA-N 2 0 369.473 0.971 20 0 FCADRP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001591084706 1284154331 /nfs/dbraw/zinc/15/43/31/1284154331.db2.gz ZMRTXKVRXLUCBN-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001591104600 1284177587 /nfs/dbraw/zinc/17/75/87/1284177587.db2.gz PSNKTTHYMFACMZ-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001591135252 1284207364 /nfs/dbraw/zinc/20/73/64/1284207364.db2.gz LCXLOYLKFIHJMD-IRXDYDNUSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@H+]1CC=C(C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591171850 1284254947 /nfs/dbraw/zinc/25/49/47/1284254947.db2.gz SAONEOAKZDMKSH-UHFFFAOYSA-N 2 0 362.459 0.492 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175197 1284261428 /nfs/dbraw/zinc/26/14/28/1284261428.db2.gz JCGFIDLNALKQDB-JDGPPOGSSA-N 2 0 361.475 0.642 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174896 1284263548 /nfs/dbraw/zinc/26/35/48/1284263548.db2.gz CJYLKKBARWODNN-KGLIPLIRSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591184725 1284292452 /nfs/dbraw/zinc/29/24/52/1284292452.db2.gz QZZYJAMIDOLKKQ-MAUKXSAKSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591186620 1284299814 /nfs/dbraw/zinc/29/98/14/1284299814.db2.gz VROLIMSYQUAMSF-HNNXBMFYSA-N 2 0 357.462 0.947 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001604680637 1287727670 /nfs/dbraw/zinc/72/76/70/1287727670.db2.gz OGVFXQWWTUJSDV-GOSISDBHSA-N 2 0 370.461 0.642 20 0 FCADRP C[NH+](C)CCC(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604680579 1287728009 /nfs/dbraw/zinc/72/80/09/1287728009.db2.gz MIXIUPOLBBTKKP-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604684106 1287732271 /nfs/dbraw/zinc/73/22/71/1287732271.db2.gz VDJFYPLMHQPYML-HDJSIYSDSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cncc(-c3nn[nH]n3)c2)CC1 ZINC001604688196 1287733481 /nfs/dbraw/zinc/73/34/81/1287733481.db2.gz SMSSRPASBCFVBD-UHFFFAOYSA-N 2 0 358.450 0.152 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001591744381 1284870709 /nfs/dbraw/zinc/87/07/09/1284870709.db2.gz VEMLRONGUXJENK-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001591744139 1284872990 /nfs/dbraw/zinc/87/29/90/1284872990.db2.gz JPSJBHVJHLEUMP-UKPHBRMFSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001591774470 1284894522 /nfs/dbraw/zinc/89/45/22/1284894522.db2.gz MBPQRJNIJQRQEB-RYUDHWBXSA-N 2 0 363.491 0.864 20 0 FCADRP C[N@H+](CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001604709678 1287746783 /nfs/dbraw/zinc/74/67/83/1287746783.db2.gz BLJGQAQUZGDTOF-UHFFFAOYSA-N 2 0 360.466 0.580 20 0 FCADRP Cc1cc(-c2nn[nH]n2)cnc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001591879014 1284966330 /nfs/dbraw/zinc/96/63/30/1284966330.db2.gz YYVXCEPQZGDPKF-HUUCEWRRSA-N 2 0 372.477 0.382 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996382 1285050661 /nfs/dbraw/zinc/05/06/61/1285050661.db2.gz JSVSMODLYGAKAA-UHFFFAOYSA-N 2 0 372.477 0.854 20 0 FCADRP Cc1cc(NC[C@@H]2CC[N@H+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[NH+]2C)[nH+]1 ZINC001592044819 1285086817 /nfs/dbraw/zinc/08/68/17/1285086817.db2.gz JQMADCOBVZYEPG-QWHCGFSZSA-N 3 0 357.466 0.802 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047168 1285091107 /nfs/dbraw/zinc/09/11/07/1285091107.db2.gz KGARKCIOHJLWCL-CYBMUJFWSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592056117 1285100178 /nfs/dbraw/zinc/10/01/78/1285100178.db2.gz SBAXDWACMINKIC-HDJSIYSDSA-N 2 0 372.477 0.783 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@H]1O ZINC001719118796 1287776866 /nfs/dbraw/zinc/77/68/66/1287776866.db2.gz HZWZLAQOVBTSES-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719120214 1287778829 /nfs/dbraw/zinc/77/88/29/1287778829.db2.gz OWFBPTJPBLLAJY-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001702414615 1285656499 /nfs/dbraw/zinc/65/64/99/1285656499.db2.gz YUODPYYDXVPXKS-KZNAEPCWSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593058681 1285953927 /nfs/dbraw/zinc/95/39/27/1285953927.db2.gz YHASWRWPSFRQFV-DJYNDVHFSA-N 2 0 368.445 0.110 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)CC[N@@H+]1C ZINC001703496902 1286113264 /nfs/dbraw/zinc/11/32/64/1286113264.db2.gz DZNIROQXDHBUMM-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001704942277 1286325844 /nfs/dbraw/zinc/32/58/44/1286325844.db2.gz RLPQBYQJUFGRQC-HYVNUMGLSA-N 2 0 368.522 0.040 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001707166374 1286487656 /nfs/dbraw/zinc/48/76/56/1286487656.db2.gz WNCZJCKUMIUPFS-KFWWJZLASA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001605431707 1287960320 /nfs/dbraw/zinc/96/03/20/1287960320.db2.gz BMOWDFINLXIJJL-VDNDLQMASA-N 2 0 369.473 0.944 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@@H+]1C ZINC001605431576 1287960514 /nfs/dbraw/zinc/96/05/14/1287960514.db2.gz ZNIFIBOUYNDSRC-KFNAQCHYSA-N 2 0 370.461 0.331 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001719295655 1288056335 /nfs/dbraw/zinc/05/63/35/1288056335.db2.gz HZWZLAQOVBTSES-ZACQAIPSSA-N 2 0 368.522 0.281 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001719301729 1288068078 /nfs/dbraw/zinc/06/80/78/1288068078.db2.gz AWYZENPNMYEWRR-SJORKVTESA-N 2 0 368.522 0.138 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605737784 1288068327 /nfs/dbraw/zinc/06/83/27/1288068327.db2.gz RTJXXUUBFQNIJR-DOMZBBRYSA-N 2 0 360.466 0.495 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605738234 1288068461 /nfs/dbraw/zinc/06/84/61/1288068461.db2.gz MTRUMCNKEQNIHE-YNEHKIRRSA-N 2 0 358.450 0.249 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605737785 1288068817 /nfs/dbraw/zinc/06/88/17/1288068817.db2.gz RTJXXUUBFQNIJR-SWLSCSKDSA-N 2 0 360.466 0.495 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@@H](C)C3)CCC2)CC[N@@H+]1C ZINC001724786353 1288449768 /nfs/dbraw/zinc/44/97/68/1288449768.db2.gz PITCFPVGWUBIED-ARFHVFGLSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001724785086 1288450370 /nfs/dbraw/zinc/45/03/70/1288450370.db2.gz HEKSKGDVODCIMP-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655479 1288590111 /nfs/dbraw/zinc/59/01/11/1288590111.db2.gz BKLABGGSDMMDLN-ZCNNSNEGSA-N 2 0 368.481 0.994 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCNC(=O)C4CC4)C3)C2)CC[N@@H+]1C ZINC001733296895 1288608058 /nfs/dbraw/zinc/60/80/58/1288608058.db2.gz UOUHOXOFRUIDDS-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP OC[C@@H]([NH2+]Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(-c2nn[nH]n2)c1)C1CC1 ZINC001607103075 1288663561 /nfs/dbraw/zinc/66/35/61/1288663561.db2.gz MOSCMWWXSPFBQV-QZTJIDSGSA-N 2 0 372.473 0.588 20 0 FCADRP O[C@@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@@H](O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607108291 1288666952 /nfs/dbraw/zinc/66/69/52/1288666952.db2.gz KNDDYOYPVXNSMH-QZTJIDSGSA-N 2 0 372.473 0.780 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001736232053 1289211520 /nfs/dbraw/zinc/21/15/20/1289211520.db2.gz SLVCNSDJQSMNDL-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001691924854 1289343969 /nfs/dbraw/zinc/34/39/69/1289343969.db2.gz HJQBWUUJLLAVHE-BBWFWOEESA-N 2 0 350.507 0.871 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001692062108 1289381949 /nfs/dbraw/zinc/38/19/49/1289381949.db2.gz RJUGBWMKVIYRRD-FGTMMUONSA-N 2 0 362.518 0.635 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692281182 1289440896 /nfs/dbraw/zinc/44/08/96/1289440896.db2.gz UWRXUMDYKUGPDV-KSZLIROESA-N 2 0 364.534 0.977 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001698706895 1289533522 /nfs/dbraw/zinc/53/35/22/1289533522.db2.gz DFMPZJPUTUVZGX-KJWHEZOQSA-N 2 0 367.494 0.188 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001698721750 1289533690 /nfs/dbraw/zinc/53/36/90/1289533690.db2.gz RZFFLKAELRPLNC-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001698748011 1289534781 /nfs/dbraw/zinc/53/47/81/1289534781.db2.gz IGXGXGSVQWHFKC-VHDGCEQUSA-N 2 0 365.478 0.994 20 0 FCADRP C[C@@H](CC[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699101390 1289545478 /nfs/dbraw/zinc/54/54/78/1289545478.db2.gz CIBZLOVLWSLEHL-YNEHKIRRSA-N 2 0 366.428 0.880 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001699102100 1289546509 /nfs/dbraw/zinc/54/65/09/1289546509.db2.gz HHVJGANSXABLHS-MRVWCRGKSA-N 2 0 351.451 0.746 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001702335152 1290073469 /nfs/dbraw/zinc/07/34/69/1290073469.db2.gz ZWESZBKMNZBYKI-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001753006873 1290617585 /nfs/dbraw/zinc/61/75/85/1290617585.db2.gz SWBHZZOMMHAQLO-QLFBSQMISA-N 2 0 364.494 0.523 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001755211536 1290643427 /nfs/dbraw/zinc/64/34/27/1290643427.db2.gz UOEJNMHHQBEAOA-SSHXOBKSSA-N 2 0 351.495 0.226 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001757182572 1290732669 /nfs/dbraw/zinc/73/26/69/1290732669.db2.gz GAUOWGXMJWMLOH-ZACQAIPSSA-N 2 0 368.522 0.137 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311852 1291405674 /nfs/dbraw/zinc/40/56/74/1291405674.db2.gz BFFKDRIUUKOIST-QZTJIDSGSA-N 2 0 373.501 0.431 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001664876050 1291820544 /nfs/dbraw/zinc/82/05/44/1291820544.db2.gz JQHKOTQSJCCQBQ-NVXWUHKLSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)Nc1nncs1 ZINC001666553022 1291913665 /nfs/dbraw/zinc/91/36/65/1291913665.db2.gz NDTLOYUTXLZTKA-IJLUTSLNSA-N 2 0 354.480 0.159 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782425 1292281701 /nfs/dbraw/zinc/28/17/01/1292281701.db2.gz JBQLVXNPQZWOPO-DLBZAZTESA-N 2 0 355.527 0.016 20 0 FCADRP CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C)[NH+](C)C ZINC001685342370 1292503929 /nfs/dbraw/zinc/50/39/29/1292503929.db2.gz AIUSNQKATLEAQA-OWCLPIDISA-N 2 0 350.507 0.774 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)on1 ZINC001688791290 1294532428 /nfs/dbraw/zinc/53/24/28/1294532428.db2.gz ZKZMIEFQIVEHGE-VHDGCEQUSA-N 2 0 363.462 0.700 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](OCC)C1 ZINC001689065441 1294588378 /nfs/dbraw/zinc/58/83/78/1294588378.db2.gz LRINNWRUYAZILX-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001689071559 1294593530 /nfs/dbraw/zinc/59/35/30/1294593530.db2.gz XUHPJJIMSXUJJJ-RRFJBIMHSA-N 2 0 352.483 0.281 20 0 FCADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001689098382 1294615566 /nfs/dbraw/zinc/61/55/66/1294615566.db2.gz KROSYKHTGSWSLB-WBVHZDCISA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O)[NH+](CC)CC ZINC001689100249 1294617373 /nfs/dbraw/zinc/61/73/73/1294617373.db2.gz UBELAJJMOBXOBN-QLFBSQMISA-N 2 0 369.510 0.518 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(CC)CC)CC[C@@H]2C1)[NH+](C)C ZINC001689224951 1294683250 /nfs/dbraw/zinc/68/32/50/1294683250.db2.gz YEUOSRGSKMVSPK-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001689244936 1294704030 /nfs/dbraw/zinc/70/40/30/1294704030.db2.gz KLRPKULDNASRMS-OWCLPIDISA-N 2 0 356.511 0.210 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC001689314883 1294738081 /nfs/dbraw/zinc/73/80/81/1294738081.db2.gz PUOQXEMYMVJJKG-OLZOCXBDSA-N 2 0 366.428 0.976 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC/C=C/CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001689350190 1294768696 /nfs/dbraw/zinc/76/86/96/1294768696.db2.gz WQPOHYLNFXEXRI-BUWFCSEKSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COCc3ccco3)C2)CC[N@@H+]1C ZINC001690276386 1294863001 /nfs/dbraw/zinc/86/30/01/1294863001.db2.gz AWHZVDJBOPBKHD-MAPUTHEBSA-N 2 0 365.474 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001690405489 1294866837 /nfs/dbraw/zinc/86/68/37/1294866837.db2.gz KVMYKSYOJITWJL-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001690405490 1294867660 /nfs/dbraw/zinc/86/76/60/1294867660.db2.gz KVMYKSYOJITWJL-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C)[NH+](C)C ZINC001691688917 1294913877 /nfs/dbraw/zinc/91/38/77/1294913877.db2.gz MTVBGBAUTPUQPD-KEYYUXOJSA-N 2 0 352.479 0.301 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001691837669 1294934968 /nfs/dbraw/zinc/93/49/68/1294934968.db2.gz LITWEEVEIRGZDB-CABCVRRESA-N 2 0 352.479 0.304 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001691837716 1294936157 /nfs/dbraw/zinc/93/61/57/1294936157.db2.gz NFXAWIPCPMHNQI-NFAWXSAZSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cncn1C)C(=O)NC1CC1 ZINC001691850715 1294942850 /nfs/dbraw/zinc/94/28/50/1294942850.db2.gz CMTFPDSIVHEISH-KEYYUXOJSA-N 2 0 361.490 0.846 20 0 FCADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164733688 720554394 /nfs/dbraw/zinc/55/43/94/720554394.db2.gz ORFLSMSPZPWLBG-UHFFFAOYSA-N 2 0 353.474 0.977 20 0 FCADRP c1ncc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)cn1 ZINC001164741515 720608749 /nfs/dbraw/zinc/60/87/49/720608749.db2.gz LIMZNRLFWRFZFL-GJZGRUSLSA-N 2 0 367.457 0.297 20 0 FCADRP c1ncc(O[C@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@@H+]3C2)cn1 ZINC001164740901 720806430 /nfs/dbraw/zinc/80/64/30/720806430.db2.gz AWIGVWWUTGURBK-GJZGRUSLSA-N 2 0 353.430 0.295 20 0 FCADRP [NH3+]Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740761 720821362 /nfs/dbraw/zinc/82/13/62/720821362.db2.gz LFFARPWMSNMCMM-KBAYOESNSA-N 2 0 368.489 0.906 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164771675 721090188 /nfs/dbraw/zinc/09/01/88/721090188.db2.gz STZVEZRWLSHRNI-RDJZCZTQSA-N 2 0 353.474 0.814 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2CC[NH2+]CC3)CC1 ZINC001165009077 721730281 /nfs/dbraw/zinc/73/02/81/721730281.db2.gz SUHZRUDBJRKJEF-UHFFFAOYSA-N 2 0 372.517 0.688 20 0 FCADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930811 721853060 /nfs/dbraw/zinc/85/30/60/721853060.db2.gz SUQZLZRBNHQFAC-CABCVRRESA-N 2 0 350.898 0.990 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924374 721871026 /nfs/dbraw/zinc/87/10/26/721871026.db2.gz LEBYKYVEHOBFBZ-ZWKOTPCHSA-N 2 0 372.517 0.342 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001067536167 837465361 /nfs/dbraw/zinc/46/53/61/837465361.db2.gz OOJUDKVENDRDGF-BRWVUGGUSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001070805588 837681231 /nfs/dbraw/zinc/68/12/31/837681231.db2.gz FPVCKHVUJXDNAL-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106712 837735473 /nfs/dbraw/zinc/73/54/73/837735473.db2.gz QODZLWSYEZGBAZ-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074657825 837821408 /nfs/dbraw/zinc/82/14/08/837821408.db2.gz GVKLKNHEKKXULE-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001074661699 837821882 /nfs/dbraw/zinc/82/18/82/837821882.db2.gz GBNZXCLMKFEIRQ-WTTBNOFXSA-N 2 0 371.547 0.730 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001100343343 844051923 /nfs/dbraw/zinc/05/19/23/844051923.db2.gz AWZAGMBHUZEIDH-RDHHWEPZSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171496 844087163 /nfs/dbraw/zinc/08/71/63/844087163.db2.gz CJVIQCLKARRQNR-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000379845923 836049708 /nfs/dbraw/zinc/04/97/08/836049708.db2.gz FLAYQANRGWQTDL-KRWDZBQOSA-N 2 0 352.504 0.638 20 0 FCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[N@@H+](C(C)(C)C)CC1)C2=O ZINC000748082429 836281476 /nfs/dbraw/zinc/28/14/76/836281476.db2.gz LQRFIJYWIILUGF-UHFFFAOYSA-N 2 0 351.495 0.766 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339931 844152151 /nfs/dbraw/zinc/15/21/51/844152151.db2.gz MQWDBCSXHJILSF-GGXPGOJBSA-N 2 0 350.507 0.633 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342783 844152553 /nfs/dbraw/zinc/15/25/53/844152553.db2.gz MYWKUPQPOOEXSA-QAPCUYQASA-N 2 0 350.507 0.587 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101344842 844152979 /nfs/dbraw/zinc/15/29/79/844152979.db2.gz HDPFAJUYULPMFS-JZXOWHBKSA-N 2 0 371.547 0.543 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351311 844154635 /nfs/dbraw/zinc/15/46/35/844154635.db2.gz CMBJCKYCJWKFHY-INMHGKMJSA-N 2 0 357.520 0.153 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101397979 844174004 /nfs/dbraw/zinc/17/40/04/844174004.db2.gz QMRSOIZOGNGXQB-APWZRJJASA-N 2 0 352.523 0.975 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417440 844178685 /nfs/dbraw/zinc/17/86/85/844178685.db2.gz NURVZVMIACVKJK-KHYOSLBOSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101418143 844180776 /nfs/dbraw/zinc/18/07/76/844180776.db2.gz BLFREZBZJJSWHI-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101432329 844184456 /nfs/dbraw/zinc/18/44/56/844184456.db2.gz MIGFQCQSBNSISP-MDZRGWNJSA-N 2 0 350.507 0.587 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461865 844193642 /nfs/dbraw/zinc/19/36/42/844193642.db2.gz WXLJAQQWYUHSER-SCTDSRPQSA-N 2 0 353.507 0.772 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621311 836701550 /nfs/dbraw/zinc/70/15/50/836701550.db2.gz SMAKQDLRWNURSO-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461721 844192755 /nfs/dbraw/zinc/19/27/55/844192755.db2.gz QLTRMPRWRRROLQ-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065257237 836825575 /nfs/dbraw/zinc/82/55/75/836825575.db2.gz ROTGMNIKKMXKTF-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001076254112 837975860 /nfs/dbraw/zinc/97/58/60/837975860.db2.gz BSFIKPNCIGRCDA-SOUVJXGZSA-N 2 0 350.463 0.008 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819710 844281199 /nfs/dbraw/zinc/28/11/99/844281199.db2.gz RDRJLMVRVYONHN-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076407413 837997497 /nfs/dbraw/zinc/99/74/97/837997497.db2.gz CKOYSKUEBQEYCA-XYJFISCASA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001076745366 838078964 /nfs/dbraw/zinc/07/89/64/838078964.db2.gz ALDVQWFXZJYMAR-ARFHVFGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999057 838204657 /nfs/dbraw/zinc/20/46/57/838204657.db2.gz BYTXYCTVXMDCJT-GVDBMIGSSA-N 2 0 353.507 0.981 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982680 844360067 /nfs/dbraw/zinc/36/00/67/844360067.db2.gz CXRGLBKALBNJII-QBPKDAKJSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102045160 844394700 /nfs/dbraw/zinc/39/47/00/844394700.db2.gz USPNYGFTNFDYJK-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048584 844396872 /nfs/dbraw/zinc/39/68/72/844396872.db2.gz HJIGJGFBLZWXNW-QGPMSJSTSA-N 2 0 352.523 0.783 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077675589 839103742 /nfs/dbraw/zinc/10/37/42/839103742.db2.gz SJCZNMMUZBEJQS-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001077685640 839114127 /nfs/dbraw/zinc/11/41/27/839114127.db2.gz XRUAKSRHUHXNDQ-BRWVUGGUSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001102088105 844408801 /nfs/dbraw/zinc/40/88/01/844408801.db2.gz MPGHTTXPGKFCFC-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119609 844423424 /nfs/dbraw/zinc/42/34/24/844423424.db2.gz VXAUTLRSOIDQHQ-IAGOWNOFSA-N 2 0 353.507 0.962 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079199635 839492180 /nfs/dbraw/zinc/49/21/80/839492180.db2.gz FJBKFFQACRJSNW-XHSDSOJGSA-N 2 0 350.438 0.535 20 0 FCADRP CC[C@@H](C(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079260802 839501559 /nfs/dbraw/zinc/50/15/59/839501559.db2.gz QOJDLLBWFRFHEE-YESZJQIVSA-N 2 0 353.507 0.912 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273965 839504822 /nfs/dbraw/zinc/50/48/22/839504822.db2.gz YPLBODMJNPOKRR-YESZJQIVSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329633 839704089 /nfs/dbraw/zinc/70/40/89/839704089.db2.gz IVWJLKHSJSYDCI-FXUDXRNXSA-N 2 0 351.495 0.178 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080383714 839714805 /nfs/dbraw/zinc/71/48/05/839714805.db2.gz SBNYKSJHUDRUQM-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312680 844464795 /nfs/dbraw/zinc/46/47/95/844464795.db2.gz ILCTWTJSDRVLNY-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001102330141 844467898 /nfs/dbraw/zinc/46/78/98/844467898.db2.gz DVFHBZVMSBURDR-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001102337583 844469242 /nfs/dbraw/zinc/46/92/42/844469242.db2.gz JIWFQPHOQDUKNW-QGPMSJSTSA-N 2 0 352.523 0.783 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368234 844475920 /nfs/dbraw/zinc/47/59/20/844475920.db2.gz LZXRXPWMZJXHJU-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080936169 839836831 /nfs/dbraw/zinc/83/68/31/839836831.db2.gz LPCMFIVJLFAGBG-VHDGCEQUSA-N 2 0 352.504 0.606 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370127 844477397 /nfs/dbraw/zinc/47/73/97/844477397.db2.gz RQYOAZGFFGBHQR-BFYDXBDKSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370080 844477469 /nfs/dbraw/zinc/47/74/69/844477469.db2.gz QCBFKUVACLIMSB-ARFHVFGLSA-N 2 0 352.523 0.927 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CCC1 ZINC001082329067 840314607 /nfs/dbraw/zinc/31/46/07/840314607.db2.gz ZJZKSRLHSFSEHU-IXDOHACOSA-N 2 0 351.491 0.713 20 0 FCADRP CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368862 840356345 /nfs/dbraw/zinc/35/63/45/840356345.db2.gz PKAKDTREGQZJBP-KZNAEPCWSA-N 2 0 353.507 0.960 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102497300 844530673 /nfs/dbraw/zinc/53/06/73/844530673.db2.gz LJRAGCCJHCDTGJ-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082507412 840442108 /nfs/dbraw/zinc/44/21/08/840442108.db2.gz PQZQZYJWKAAQCM-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082544602 840457309 /nfs/dbraw/zinc/45/73/09/840457309.db2.gz KHACJXSCJPGHRA-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082562100 840466484 /nfs/dbraw/zinc/46/64/84/840466484.db2.gz NRKUHBXHZJJRIC-HLLBOEOZSA-N 2 0 371.547 0.732 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514549 844545826 /nfs/dbraw/zinc/54/58/26/844545826.db2.gz ASWJDUGLKKMEKV-IXDOHACOSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082653267 840512652 /nfs/dbraw/zinc/51/26/52/840512652.db2.gz CRLNSGYOOAXXEU-HDNNOUGTSA-N 2 0 363.487 0.338 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082681584 840521898 /nfs/dbraw/zinc/52/18/98/840521898.db2.gz CJJZPWDZWMWKTH-HZSPNIEDSA-N 2 0 350.463 0.103 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082681874 840522516 /nfs/dbraw/zinc/52/25/16/840522516.db2.gz ZLADPDUVBFUXLI-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082741311 840542739 /nfs/dbraw/zinc/54/27/39/840542739.db2.gz WUGLYQHBVDTJAD-RBSFLKMASA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082741211 840543606 /nfs/dbraw/zinc/54/36/06/840543606.db2.gz SQMMHBPTPYEXKI-BFYDXBDKSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521163 844550553 /nfs/dbraw/zinc/55/05/53/844550553.db2.gz URTDRSYCZBEJCD-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520943 844550879 /nfs/dbraw/zinc/55/08/79/844550879.db2.gz IULKZSQERJDLJS-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102524228 844551729 /nfs/dbraw/zinc/55/17/29/844551729.db2.gz RTVXMFIGLPEOFI-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082822066 840574858 /nfs/dbraw/zinc/57/48/58/840574858.db2.gz HKOIZVQWKWOIGJ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082921652 840603752 /nfs/dbraw/zinc/60/37/52/840603752.db2.gz ZKSGTJKMQZFREC-OWCLPIDISA-N 2 0 357.520 0.344 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579857 844574329 /nfs/dbraw/zinc/57/43/29/844574329.db2.gz UEXGNDGISBLWQA-NVXWUHKLSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599164 844588899 /nfs/dbraw/zinc/58/88/99/844588899.db2.gz RVBRTVKCJBKTRW-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599193 844589954 /nfs/dbraw/zinc/58/99/54/844589954.db2.gz SUICSRDESXMCFF-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466449 841038068 /nfs/dbraw/zinc/03/80/68/841038068.db2.gz VAUUNLNARWKCJP-XHSDSOJGSA-N 2 0 364.515 0.497 20 0 FCADRP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470330 841042971 /nfs/dbraw/zinc/04/29/71/841042971.db2.gz LUDSUMAUCXFPMQ-SJORKVTESA-N 2 0 351.495 0.656 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833536 861220228 /nfs/dbraw/zinc/22/02/28/861220228.db2.gz JQQRBMNVWLDYPI-KXBFYZLASA-N 2 0 350.507 0.907 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275879337 861244329 /nfs/dbraw/zinc/24/43/29/861244329.db2.gz NHHSTAZBDFBCSL-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880115 861245576 /nfs/dbraw/zinc/24/55/76/861245576.db2.gz UCALFPXVDUJWKF-KXBFYZLASA-N 2 0 350.507 0.777 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)C1=O ZINC001085333400 842079471 /nfs/dbraw/zinc/07/94/71/842079471.db2.gz OLCQIMDAKKITJI-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601634 842107813 /nfs/dbraw/zinc/10/78/13/842107813.db2.gz CGNRJHKDRXYZFU-KSZLIROESA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086090474 842119166 /nfs/dbraw/zinc/11/91/66/842119166.db2.gz AYABSCZETKNQBD-DGADGQDISA-N 2 0 357.520 0.246 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086659983 842145765 /nfs/dbraw/zinc/14/57/65/842145765.db2.gz SKXAWDHMUKTQBF-ZNMIVQPWSA-N 2 0 350.463 0.104 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087062700 842259559 /nfs/dbraw/zinc/25/95/59/842259559.db2.gz QTDUVYSEAJGABT-BRWVUGGUSA-N 2 0 351.495 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087079895 842273102 /nfs/dbraw/zinc/27/31/02/842273102.db2.gz MAQKRQXHGGERBM-HUUCEWRRSA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087101099 842288754 /nfs/dbraw/zinc/28/87/54/842288754.db2.gz SSUJODIKQTXRLM-RBSFLKMASA-N 2 0 367.519 0.751 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087100915 842289406 /nfs/dbraw/zinc/28/94/06/842289406.db2.gz KXVUXJCTOJJWFE-BFHYXJOUSA-N 2 0 353.492 0.443 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087100388 842289845 /nfs/dbraw/zinc/28/98/45/842289845.db2.gz QYJSGKGRTNFUQM-BFYDXBDKSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087101243 842290764 /nfs/dbraw/zinc/29/07/64/842290764.db2.gz ABJHXKPMSDNMHV-QZTJIDSGSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087175430 842308976 /nfs/dbraw/zinc/30/89/76/842308976.db2.gz NQVABERCIFORHV-PVAVHDDUSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC001087576050 842362445 /nfs/dbraw/zinc/36/24/45/842362445.db2.gz LITNYCWGAOVYNW-XDNAFOTISA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCCC1=O ZINC001087796826 842433975 /nfs/dbraw/zinc/43/39/75/842433975.db2.gz NUKLMOLQILZNGQ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966761 842482659 /nfs/dbraw/zinc/48/26/59/842482659.db2.gz UDEJKQXXJLLRAS-XHSDSOJGSA-N 2 0 350.507 0.905 20 0 FCADRP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087992108 842492975 /nfs/dbraw/zinc/49/29/75/842492975.db2.gz DOCKFEISWDFDSH-SOLBZPMBSA-N 2 0 351.491 0.402 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129622 842538657 /nfs/dbraw/zinc/53/86/57/842538657.db2.gz XIRVRFKWQFRAEI-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212641 842562620 /nfs/dbraw/zinc/56/26/20/842562620.db2.gz FKZGPPKNZPNOGF-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088981233 842734750 /nfs/dbraw/zinc/73/47/50/842734750.db2.gz JLUVEWGBUXJQRY-ILXRZTDVSA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001091036092 842936049 /nfs/dbraw/zinc/93/60/49/842936049.db2.gz SAUTUFBXTCIJIP-XSCHDIRWSA-N 2 0 352.458 0.572 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001091036135 842936423 /nfs/dbraw/zinc/93/64/23/842936423.db2.gz VMGCMLBTMOWPMA-RDHHWEPZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504917 843223241 /nfs/dbraw/zinc/22/32/41/843223241.db2.gz DAXCGWNCEHEVSS-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092507313 843223461 /nfs/dbraw/zinc/22/34/61/843223461.db2.gz AKYDDXNQHUTSSH-OIISXLGYSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604844 843249093 /nfs/dbraw/zinc/24/90/93/843249093.db2.gz PPSRCWGXKSKWKN-BFYDXBDKSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650601 843266651 /nfs/dbraw/zinc/26/66/51/843266651.db2.gz HLKSTZWAOHXSAF-MBNYWOFBSA-N 2 0 352.504 0.981 20 0 FCADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650602 843266726 /nfs/dbraw/zinc/26/67/26/843266726.db2.gz HLKSTZWAOHXSAF-YRGRVCCFSA-N 2 0 352.504 0.981 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721018 843285172 /nfs/dbraw/zinc/28/51/72/843285172.db2.gz DNGGXEWFYZCSAP-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734727 843288289 /nfs/dbraw/zinc/28/82/89/843288289.db2.gz FRYNWTCJZXSEFJ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093280807 843420095 /nfs/dbraw/zinc/42/00/95/843420095.db2.gz LNXWETZHKJQLME-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093960523 843496290 /nfs/dbraw/zinc/49/62/90/843496290.db2.gz GXFLZXVGXADZQT-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP COCC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276357701 861427702 /nfs/dbraw/zinc/42/77/02/861427702.db2.gz PRHLWRCGOYVFRB-KRWDZBQOSA-N 2 0 352.523 0.489 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC)CC3)CC[N@@H+]1C ZINC001094418288 843550929 /nfs/dbraw/zinc/55/09/29/843550929.db2.gz QFAKZQDEQPBWII-WFXMFSGNSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094433229 843552473 /nfs/dbraw/zinc/55/24/73/843552473.db2.gz YHEMVJXKVWFEDF-FRQCXROJSA-N 2 0 350.507 0.810 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CCO)CC3)C2)CC[N@@H+]1C ZINC001098603710 843927708 /nfs/dbraw/zinc/92/77/08/843927708.db2.gz VNJFHUJASKUULQ-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185653 844719015 /nfs/dbraw/zinc/71/90/15/844719015.db2.gz JCWKZVZDSFGOPT-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374236 844744956 /nfs/dbraw/zinc/74/49/56/844744956.db2.gz ATUKSWLMBNRBSE-OWCLPIDISA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C)[NH+](C)C ZINC001103407415 844752382 /nfs/dbraw/zinc/75/23/82/844752382.db2.gz BDQJVDFCNXPOBH-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497460 844768507 /nfs/dbraw/zinc/76/85/07/844768507.db2.gz HJCOPZXEEJTICW-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103550231 844777928 /nfs/dbraw/zinc/77/79/28/844777928.db2.gz GEKOVDRBEIWBBZ-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+](C)CCC[NH+]1CCC2(CCC(=O)N(C[C@H]3CCC(=O)N3)C2)CC1 ZINC001276609975 861497251 /nfs/dbraw/zinc/49/72/51/861497251.db2.gz ODNLNQVTCITXHL-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643500 844793184 /nfs/dbraw/zinc/79/31/84/844793184.db2.gz MVSRSKVMFUTYST-OWCLPIDISA-N 2 0 356.511 0.116 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718927 844807018 /nfs/dbraw/zinc/80/70/18/844807018.db2.gz KQCGLKGOBTYTAI-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721436 844807614 /nfs/dbraw/zinc/80/76/14/844807614.db2.gz SHVHPISZWYTZEG-ZACQAIPSSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721372 844807645 /nfs/dbraw/zinc/80/76/45/844807645.db2.gz PQKJJLIGTKLCOW-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104000104 844852170 /nfs/dbraw/zinc/85/21/70/844852170.db2.gz VRPGMEHMWPOHEH-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CCOCCO ZINC001104385196 844905680 /nfs/dbraw/zinc/90/56/80/844905680.db2.gz HQKZUHOLKXCBHJ-IAGOWNOFSA-N 2 0 353.507 0.698 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587576 844923102 /nfs/dbraw/zinc/92/31/02/844923102.db2.gz BCWVDKTYLWUGMT-ICUGJSFKSA-N 2 0 355.523 0.798 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001104682178 844932441 /nfs/dbraw/zinc/93/24/41/844932441.db2.gz FHIWRCWYIKSDBN-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104874202 844953863 /nfs/dbraw/zinc/95/38/63/844953863.db2.gz OXILYDRQVUQVEL-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104932978 844960885 /nfs/dbraw/zinc/96/08/85/844960885.db2.gz YOLNODZEDLVNOE-HUUCEWRRSA-N 2 0 351.499 0.516 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007656 844968070 /nfs/dbraw/zinc/96/80/70/844968070.db2.gz DBQQCGWQVSMYSN-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105661877 845012331 /nfs/dbraw/zinc/01/23/31/845012331.db2.gz LMDOJOWKUNZSJB-PSBWJHGTSA-N 2 0 355.523 0.677 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675493 845016806 /nfs/dbraw/zinc/01/68/06/845016806.db2.gz PSSAYDLYDNYXRB-FPAYPSAMSA-N 2 0 355.523 0.939 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C)C1CC1 ZINC001105944871 845063218 /nfs/dbraw/zinc/06/32/18/845063218.db2.gz BXBNTFYFLALWBC-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145762 845114250 /nfs/dbraw/zinc/11/42/50/845114250.db2.gz GDHAUPUKSXPOGN-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)CC[N@@H+]1C ZINC001106150716 845114892 /nfs/dbraw/zinc/11/48/92/845114892.db2.gz BPRYATWCZVSLKS-TXCZRRACSA-N 2 0 350.507 0.679 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC001106198726 845129770 /nfs/dbraw/zinc/12/97/70/845129770.db2.gz LUSPPUNRKQPBBT-FMKPAKJESA-N 2 0 354.474 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106249496 845142982 /nfs/dbraw/zinc/14/29/82/845142982.db2.gz JICPRJSUECWFAI-BMFZPTHFSA-N 2 0 351.495 0.036 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106249532 845143100 /nfs/dbraw/zinc/14/31/00/845143100.db2.gz JRDKMHIBJYEPNB-QBIMZIAESA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106255681 845144323 /nfs/dbraw/zinc/14/43/23/845144323.db2.gz DVDMTDWMYDLDKB-RBSFLKMASA-N 2 0 350.507 0.822 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106308909 845151978 /nfs/dbraw/zinc/15/19/78/845151978.db2.gz GXRBBJWHLBUARB-HZPDHXFCSA-N 2 0 350.507 0.683 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)[NH+](C)C ZINC001106312320 845152618 /nfs/dbraw/zinc/15/26/18/845152618.db2.gz BVOFQKQTDQGKHG-RBSFLKMASA-N 2 0 352.479 0.160 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)N(C)C ZINC001106370786 845165450 /nfs/dbraw/zinc/16/54/50/845165450.db2.gz AGJMHZZFADMBMI-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588391 845201480 /nfs/dbraw/zinc/20/14/80/845201480.db2.gz SLVWPCCWENOCLD-UMVBOHGHSA-N 2 0 350.463 0.773 20 0 FCADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001106600280 845202982 /nfs/dbraw/zinc/20/29/82/845202982.db2.gz XRDGXOCHRTUGSN-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001106622861 845207181 /nfs/dbraw/zinc/20/71/81/845207181.db2.gz UKYRORJMMWMGLM-ZIAGYGMSSA-N 2 0 353.467 0.394 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627272 845209394 /nfs/dbraw/zinc/20/93/94/845209394.db2.gz ZRAWOBBIMBARDD-UKRRQHHQSA-N 2 0 354.520 0.854 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106665061 845218469 /nfs/dbraw/zinc/21/84/69/845218469.db2.gz GENALIOCMJKOJB-BFYDXBDKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)C1 ZINC001106665997 845218699 /nfs/dbraw/zinc/21/86/99/845218699.db2.gz DNMMWAGQGZMMFT-ARFHVFGLSA-N 2 0 351.495 0.038 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666854 845220011 /nfs/dbraw/zinc/22/00/11/845220011.db2.gz XELHPKSIEUIFSN-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106778842 845251077 /nfs/dbraw/zinc/25/10/77/845251077.db2.gz UMTHMTRLFMCYST-BRWVUGGUSA-N 2 0 351.495 0.270 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106779238 845251267 /nfs/dbraw/zinc/25/12/67/845251267.db2.gz HWMHGFRNKOLFKO-CHWSQXEVSA-N 2 0 368.507 0.503 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825158 845263383 /nfs/dbraw/zinc/26/33/83/845263383.db2.gz CLDRHSRPCJOXOQ-KBAYOESNSA-N 2 0 355.523 0.798 20 0 FCADRP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)n1C ZINC001106840398 845265944 /nfs/dbraw/zinc/26/59/44/845265944.db2.gz KYGBCGWDUBCOFL-HUUCEWRRSA-N 2 0 350.511 0.903 20 0 FCADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874650 845275994 /nfs/dbraw/zinc/27/59/94/845275994.db2.gz OKZMNUXOTWWYPJ-IXDOHACOSA-N 2 0 352.523 0.785 20 0 FCADRP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106877794 845276977 /nfs/dbraw/zinc/27/69/77/845276977.db2.gz AFJSDQARUYNXNQ-HUUCEWRRSA-N 2 0 352.479 0.999 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106910896 845283990 /nfs/dbraw/zinc/28/39/90/845283990.db2.gz UPIKDIOFNHFEJK-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106981542 845299943 /nfs/dbraw/zinc/29/99/43/845299943.db2.gz TWVQKHRIXVOHGQ-MGPQQGTHSA-N 2 0 365.503 0.717 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984619 845300780 /nfs/dbraw/zinc/30/07/80/845300780.db2.gz WPXSWHXTNUFHLZ-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106984786 845300910 /nfs/dbraw/zinc/30/09/10/845300910.db2.gz ZJHVWHDRVFDWSD-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001107038940 845316634 /nfs/dbraw/zinc/31/66/34/845316634.db2.gz HNVNDPNWWRLKTJ-NVXWUHKLSA-N 2 0 352.523 0.879 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCS(C)(=O)=O)CC2 ZINC001107329062 845352018 /nfs/dbraw/zinc/35/20/18/845352018.db2.gz GVFGYEHWDSSKMW-JFIYKMOQSA-N 2 0 371.547 0.876 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107500697 845384886 /nfs/dbraw/zinc/38/48/86/845384886.db2.gz OLNLKTAYNGJGNT-IMBTUZDBSA-N 2 0 353.507 0.839 20 0 FCADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)C1 ZINC001109113565 845573321 /nfs/dbraw/zinc/57/33/21/845573321.db2.gz QNEUMMCSDSAGRN-VSZNYVQBSA-N 2 0 351.491 0.855 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294229 845617015 /nfs/dbraw/zinc/61/70/15/845617015.db2.gz OBPNYAMRDCCUGG-OWSLCNJRSA-N 2 0 351.491 0.713 20 0 FCADRP C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001109797039 845736398 /nfs/dbraw/zinc/73/63/98/845736398.db2.gz QMVUFDOVQHDFAI-BDXSIMOUSA-N 2 0 353.507 0.981 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001110161466 845809206 /nfs/dbraw/zinc/80/92/06/845809206.db2.gz GQNGUYKNJFSUKP-OWSLCNJRSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819797 861631575 /nfs/dbraw/zinc/63/15/75/861631575.db2.gz WKTPOKIRTXVVFI-RDTXWAMCSA-N 2 0 355.479 0.175 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961011 846001713 /nfs/dbraw/zinc/00/17/13/846001713.db2.gz OMWCHZSJMOJILG-ZACQAIPSSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110961845 846002552 /nfs/dbraw/zinc/00/25/52/846002552.db2.gz HSYOFNNXSPSMHO-KFWWJZLASA-N 2 0 350.463 0.199 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111230140 846064194 /nfs/dbraw/zinc/06/41/94/846064194.db2.gz HLNVPLQGNOPJFI-KFWWJZLASA-N 2 0 350.463 0.199 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851966 846232072 /nfs/dbraw/zinc/23/20/72/846232072.db2.gz WSYRFBFNHNDCIS-FPXQBCRKSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870648 846239787 /nfs/dbraw/zinc/23/97/87/846239787.db2.gz HSAOYXATYANWMZ-GJYPPUQNSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001111927539 846263854 /nfs/dbraw/zinc/26/38/54/846263854.db2.gz BBKOEJIKPHIHEP-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111926958 846263957 /nfs/dbraw/zinc/26/39/57/846263957.db2.gz REBXIOHFDQWONR-DEYYWGMASA-N 2 0 350.463 0.104 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111938229 846267629 /nfs/dbraw/zinc/26/76/29/846267629.db2.gz RNEADWMVDBRIAF-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939531 846270488 /nfs/dbraw/zinc/27/04/88/846270488.db2.gz FROPNHNDGHEWTR-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C1CC1)C2 ZINC001111949456 846272640 /nfs/dbraw/zinc/27/26/40/846272640.db2.gz FVAUZPPZQPRUEJ-KXBFYZLASA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111952595 846274973 /nfs/dbraw/zinc/27/49/73/846274973.db2.gz QAJMLPRBDIYICN-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CCC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112159799 846425662 /nfs/dbraw/zinc/42/56/62/846425662.db2.gz AMKPWVDSFMWZFT-JHJVBQTASA-N 2 0 364.412 0.538 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112166164 846429634 /nfs/dbraw/zinc/42/96/34/846429634.db2.gz HUQJMMCJJMTFQD-MGPQQGTHSA-N 2 0 367.412 0.459 20 0 FCADRP CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C(F)(F)F ZINC001112199492 846457043 /nfs/dbraw/zinc/45/70/43/846457043.db2.gz UNWMVTOPPKBITD-HOSYDEDBSA-N 2 0 361.368 0.374 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112206080 846462828 /nfs/dbraw/zinc/46/28/28/846462828.db2.gz GZXWMFPLYUYRLS-BFHYXJOUSA-N 2 0 367.412 0.316 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112378716 846498010 /nfs/dbraw/zinc/49/80/10/846498010.db2.gz APFUZKFAXKESFT-DAYGRLMNSA-N 2 0 356.486 0.631 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112567493 846526033 /nfs/dbraw/zinc/52/60/33/846526033.db2.gz RSJJIZVZCLJELD-SCTDSRPQSA-N 2 0 355.523 0.944 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112567327 846526492 /nfs/dbraw/zinc/52/64/92/846526492.db2.gz IVMVVINRBNFESA-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001112579108 846529087 /nfs/dbraw/zinc/52/90/87/846529087.db2.gz WVWUESLYYVUWSF-BQFCYCMXSA-N 2 0 371.547 0.591 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001112585872 846531855 /nfs/dbraw/zinc/53/18/55/846531855.db2.gz WNKYRXZRYGFHDB-IEZWGBDMSA-N 2 0 350.507 0.810 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112586406 846532275 /nfs/dbraw/zinc/53/22/75/846532275.db2.gz XZUCIRILXKHDIF-BXWFABGCSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112586429 846532321 /nfs/dbraw/zinc/53/23/21/846532321.db2.gz YSIRJQOTTREJOM-RDJZCZTQSA-N 2 0 359.536 0.590 20 0 FCADRP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](C)O)CC2 ZINC001276958745 861703112 /nfs/dbraw/zinc/70/31/12/861703112.db2.gz AHSJLUIFGLIEMS-GJZGRUSLSA-N 2 0 355.479 0.033 20 0 FCADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001116951284 846817253 /nfs/dbraw/zinc/81/72/53/846817253.db2.gz CEBFIUVNJDIGSM-UHFFFAOYSA-N 2 0 351.491 0.547 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001117396930 847000639 /nfs/dbraw/zinc/00/06/39/847000639.db2.gz KUNDNYBDSKFWFR-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119481896 847857959 /nfs/dbraw/zinc/85/79/59/847857959.db2.gz ANTHDSHZLSPMFR-GVDBMIGSSA-N 2 0 353.511 0.162 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001122055146 848442226 /nfs/dbraw/zinc/44/22/26/848442226.db2.gz GROBAFDWQLTHDW-TUVASFSCSA-N 2 0 357.520 0.246 20 0 FCADRP O=C(CN1CCC(CO)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122236730 848473341 /nfs/dbraw/zinc/47/33/41/848473341.db2.gz ZKABIMRHJSTDLO-HDICACEKSA-N 2 0 350.507 0.118 20 0 FCADRP CC[NH+]1CC[C@@H](CNC(=O)/C(C)=C/C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC001123506154 848598887 /nfs/dbraw/zinc/59/88/87/848598887.db2.gz VSFFZTKGAKNNQP-GUJBPHSMSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790437 848637747 /nfs/dbraw/zinc/63/77/47/848637747.db2.gz ZECQLJXZNUKZTI-AEFFLSMTSA-N 2 0 351.539 0.996 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC2CCOCC2)CC1 ZINC001127571194 848727081 /nfs/dbraw/zinc/72/70/81/848727081.db2.gz NGWMWTMDQKYVRY-MSOLQXFVSA-N 2 0 353.507 0.866 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C ZINC001127705382 848733083 /nfs/dbraw/zinc/73/30/83/848733083.db2.gz BXFPUGQLQIVNME-UONOGXRCSA-N 2 0 350.467 0.401 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460808 848847720 /nfs/dbraw/zinc/84/77/20/848847720.db2.gz OQJMWJFBSZOXOS-XHSDSOJGSA-N 2 0 352.483 0.385 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894588 848909964 /nfs/dbraw/zinc/90/99/64/848909964.db2.gz KKPIDFHCCYOLLT-KMEUXCNSSA-N 2 0 352.870 0.856 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129910049 848913519 /nfs/dbraw/zinc/91/35/19/848913519.db2.gz ACADGROWBSBHQJ-UUFAANBYSA-N 2 0 352.870 0.856 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)C12CCC[NH+]1CCC2 ZINC001129925317 848916776 /nfs/dbraw/zinc/91/67/76/848916776.db2.gz ZVDOORCKYMNNRW-CABCVRRESA-N 2 0 350.442 0.608 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001129994604 848927427 /nfs/dbraw/zinc/92/74/27/848927427.db2.gz XEHTXSLIOZLADG-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992319 848927699 /nfs/dbraw/zinc/92/76/99/848927699.db2.gz YLPCVFNTUORMMU-KGLIPLIRSA-N 2 0 363.491 0.536 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130140046 848951314 /nfs/dbraw/zinc/95/13/14/848951314.db2.gz PHFRQBVNLAYSER-CVEARBPZSA-N 2 0 352.458 0.855 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251482 848989874 /nfs/dbraw/zinc/98/98/74/848989874.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 2 0 352.483 0.632 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130307645 848998795 /nfs/dbraw/zinc/99/87/95/848998795.db2.gz WUAVPKZBUBSWOF-QAPCUYQASA-N 2 0 356.486 0.772 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130815873 849048681 /nfs/dbraw/zinc/04/86/81/849048681.db2.gz DHKJABQQMZAFDO-MELADBBJSA-N 2 0 350.467 0.592 20 0 FCADRP CCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108080 849079184 /nfs/dbraw/zinc/07/91/84/849079184.db2.gz IQVYGMGQQMHRNK-HZPDHXFCSA-N 2 0 351.495 0.682 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131562501 849123130 /nfs/dbraw/zinc/12/31/30/849123130.db2.gz VVJONBOLSCEWTF-SUMDDJOVSA-N 2 0 353.507 0.839 20 0 FCADRP CC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001277712088 862021977 /nfs/dbraw/zinc/02/19/77/862021977.db2.gz HIAVDPHXPQXRKM-IEBWSBKVSA-N 2 0 352.523 0.462 20 0 FCADRP CC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001277712566 862024456 /nfs/dbraw/zinc/02/44/56/862024456.db2.gz JUCLRNRADIYHMY-IEBWSBKVSA-N 2 0 352.523 0.319 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)CN(C)C(N)=[NH2+])c1ccc(Cl)cc1 ZINC001144149000 849510491 /nfs/dbraw/zinc/51/04/91/849510491.db2.gz AHNJTKICASTRAT-CQSZACIVSA-N 2 0 355.870 0.901 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CN(C)C(N)=[NH2+])S(C)(=O)=O)c(F)c1 ZINC001144141234 849510646 /nfs/dbraw/zinc/51/06/46/849510646.db2.gz CCCISCLEGIASTD-SSDOTTSWSA-N 2 0 363.390 0.102 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1C1CCCC1 ZINC001154888757 849818847 /nfs/dbraw/zinc/81/88/47/849818847.db2.gz GMRPOCJXUNAOOO-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155021166 849825932 /nfs/dbraw/zinc/82/59/32/849825932.db2.gz VBIWYILKGKJNDK-CHWSQXEVSA-N 2 0 367.519 0.616 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591050 849915838 /nfs/dbraw/zinc/91/58/38/849915838.db2.gz SAWVTHHCLYIYJC-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591048 849916205 /nfs/dbraw/zinc/91/62/05/849916205.db2.gz SAWVTHHCLYIYJC-ARFHVFGLSA-N 2 0 350.507 0.776 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001157323189 849963448 /nfs/dbraw/zinc/96/34/48/849963448.db2.gz DCEYTGMLEVJQNF-HOTGVXAUSA-N 2 0 366.531 0.915 20 0 FCADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369172 849966832 /nfs/dbraw/zinc/96/68/32/849966832.db2.gz QERYRJNYCOBDCY-QLFBSQMISA-N 2 0 356.511 0.754 20 0 FCADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157593825 849983344 /nfs/dbraw/zinc/98/33/44/849983344.db2.gz YRMRDOCVWVYGRL-GOSISDBHSA-N 2 0 351.539 0.461 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157715843 849987747 /nfs/dbraw/zinc/98/77/47/849987747.db2.gz JGDMCFGGINFHMR-PMPSAXMXSA-N 2 0 356.511 0.338 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001157716665 849989016 /nfs/dbraw/zinc/98/90/16/849989016.db2.gz QMXQZRSMKDQJQY-JYJNAYRXSA-N 2 0 352.504 0.659 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157753715 849990777 /nfs/dbraw/zinc/99/07/77/849990777.db2.gz FMNXOFDLTUIVQM-MAUKXSAKSA-N 2 0 350.438 0.352 20 0 FCADRP O=C(N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157923549 850004889 /nfs/dbraw/zinc/00/48/89/850004889.db2.gz FFCHDQXHZVXSQX-WVWOOGAGSA-N 2 0 353.360 0.439 20 0 FCADRP Cc1ncn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c1CSCC[NH3+] ZINC001157964820 850008180 /nfs/dbraw/zinc/00/81/80/850008180.db2.gz ZHLUTAFZMZKQMW-UHFFFAOYSA-N 2 0 360.487 0.813 20 0 FCADRP CC(C)N(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC001158021337 850013382 /nfs/dbraw/zinc/01/33/82/850013382.db2.gz HURSTUWDYDXFBS-GFCCVEGCSA-N 2 0 353.492 0.145 20 0 FCADRP [NH3+][C@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158076332 850015928 /nfs/dbraw/zinc/01/59/28/850015928.db2.gz FAMRFRJYPMHWDE-HNNXBMFYSA-N 2 0 353.463 0.228 20 0 FCADRP COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124140 850020048 /nfs/dbraw/zinc/02/00/48/850020048.db2.gz IUSIEMZSYINMDA-QBPKDAKJSA-N 2 0 357.495 0.026 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158338649 850038463 /nfs/dbraw/zinc/03/84/63/850038463.db2.gz DQVOKOWRKYRUQL-UGUYLWEFSA-N 2 0 352.479 0.071 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[NH2+]C(C)C)C2 ZINC001158380585 850042637 /nfs/dbraw/zinc/04/26/37/850042637.db2.gz FYRVXXNAGKDWFC-ZIAGYGMSSA-N 2 0 351.369 0.528 20 0 FCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158384465 850044601 /nfs/dbraw/zinc/04/46/01/850044601.db2.gz SXQFUNDVCDYTRO-GDLCADMTSA-N 2 0 351.369 0.657 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001158384912 850044909 /nfs/dbraw/zinc/04/49/09/850044909.db2.gz TYJDCHVJKVSJCC-GJZGRUSLSA-N 2 0 365.396 0.870 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])C(C)(C)C)C2 ZINC001158386661 850044944 /nfs/dbraw/zinc/04/49/44/850044944.db2.gz ZWRHKSXLXPAJOW-NZVBXONLSA-N 2 0 365.396 0.903 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)C2 ZINC001158384071 850044964 /nfs/dbraw/zinc/04/49/64/850044964.db2.gz QKDYODPPCICVPI-UPYBOPHASA-N 2 0 361.364 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001158403355 850046720 /nfs/dbraw/zinc/04/67/20/850046720.db2.gz GIMQNRKGMLTXIO-JKSUJKDBSA-N 2 0 359.536 0.637 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001158404073 850047895 /nfs/dbraw/zinc/04/78/95/850047895.db2.gz PKTFUAMIAHTNCC-HRCADAONSA-N 2 0 354.495 0.108 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158420881 850049051 /nfs/dbraw/zinc/04/90/51/850049051.db2.gz ACHNWVAYPVZNMJ-LXFSFDBISA-N 2 0 356.536 0.561 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422797 850049241 /nfs/dbraw/zinc/04/92/41/850049241.db2.gz LQUCRODGNOZFGE-XGUBFFRZSA-N 2 0 352.479 0.083 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001158495678 850055965 /nfs/dbraw/zinc/05/59/65/850055965.db2.gz CQNZRKLMBJHSAB-FPYNETTCSA-N 2 0 363.380 0.669 20 0 FCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001158513225 850058255 /nfs/dbraw/zinc/05/82/55/850058255.db2.gz KVQKJQHEDABWHO-INIZCTEOSA-N 3 0 354.495 0.319 20 0 FCADRP [NH3+]C1([C@H]2CN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C[C@@H]2CF)CC1 ZINC001158579415 850062110 /nfs/dbraw/zinc/06/21/10/850062110.db2.gz SKXKXWBDENSBOV-RYUDHWBXSA-N 2 0 353.467 0.702 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001158855204 850080923 /nfs/dbraw/zinc/08/09/23/850080923.db2.gz FZJMWZYODNDZPY-RKNYENMMSA-N 2 0 355.508 0.231 20 0 FCADRP Nc1ncn(/C=C/C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159405674 850112116 /nfs/dbraw/zinc/11/21/16/850112116.db2.gz PVVCPXZYBGXNIO-FQAHVSEDSA-N 2 0 366.897 0.460 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159585938 850122716 /nfs/dbraw/zinc/12/27/16/850122716.db2.gz VQJFWOLVVBUMTJ-GJZGRUSLSA-N 2 0 367.519 0.287 20 0 FCADRP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001159625512 850124340 /nfs/dbraw/zinc/12/43/40/850124340.db2.gz XDBYFRBHTWCVMK-LZLYRXPVSA-N 2 0 351.491 0.905 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834255 850139555 /nfs/dbraw/zinc/13/95/55/850139555.db2.gz UGXHLAUSYMSFNX-KKUMJFAQSA-N 3 0 361.515 0.375 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834265 850139950 /nfs/dbraw/zinc/13/99/50/850139950.db2.gz UNSPJDAMNIGGQN-KFWWJZLASA-N 2 0 350.488 0.944 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159906209 850144454 /nfs/dbraw/zinc/14/44/54/850144454.db2.gz ZMXKNUPKKBXKFA-HLPPOEQASA-N 2 0 368.503 0.732 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001160154935 850156152 /nfs/dbraw/zinc/15/61/52/850156152.db2.gz ALYRBENONSCVSK-NCOADZHNSA-N 2 0 351.491 0.854 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CC(F)F)CCC2 ZINC001160373169 850168691 /nfs/dbraw/zinc/16/86/91/850168691.db2.gz WKJAKCFDGCNSSY-LBPRGKRZSA-N 2 0 359.421 0.676 20 0 FCADRP O=C([C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490960 850176879 /nfs/dbraw/zinc/17/68/79/850176879.db2.gz NOCFBNFKNNOSSG-VQIMIIECSA-N 2 0 351.491 0.858 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2c(Br)cnc2C1 ZINC001160546243 850180595 /nfs/dbraw/zinc/18/05/95/850180595.db2.gz XAHYRCYBVFUQTH-LLVKDONJSA-N 2 0 368.279 0.862 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160689596 850191676 /nfs/dbraw/zinc/19/16/76/850191676.db2.gz PHSFOSOVGGMGBT-HNNXBMFYSA-N 2 0 366.897 0.134 20 0 FCADRP COCCOc1cccc(N2CCN(C(=O)C[NH2+]CCC[NH3+])CC2)c1 ZINC001160943376 850215317 /nfs/dbraw/zinc/21/53/17/850215317.db2.gz JYNWCMJYAIHDHQ-UHFFFAOYSA-N 2 0 350.463 0.299 20 0 FCADRP COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160947360 850215660 /nfs/dbraw/zinc/21/56/60/850215660.db2.gz GJZUJISXKHFJNK-HIFRSBDPSA-N 2 0 353.488 0.986 20 0 FCADRP CSc1nc(Cl)cc(N2CCCN(C(=O)C[NH2+]CCC[NH3+])CC2)n1 ZINC001161054028 850225609 /nfs/dbraw/zinc/22/56/09/850225609.db2.gz HTTFRQCYXUTQQK-UHFFFAOYSA-N 2 0 372.926 0.829 20 0 FCADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001161061976 850227169 /nfs/dbraw/zinc/22/71/69/850227169.db2.gz IOTIMYAPOJLWBF-WOPDTQHZSA-N 2 0 352.401 0.891 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152334 850234526 /nfs/dbraw/zinc/23/45/26/850234526.db2.gz HCBUCCIRMHCDMP-GHMZBOCLSA-N 2 0 359.352 0.161 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)Cc2nnc(C(F)(F)F)n21 ZINC001161145589 850234696 /nfs/dbraw/zinc/23/46/96/850234696.db2.gz GBPSMUROCGETEW-GPCCPHFNSA-N 2 0 358.368 0.399 20 0 FCADRP [NH3+]C1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CCCC1 ZINC001161196996 850238815 /nfs/dbraw/zinc/23/88/15/850238815.db2.gz WABOHGCJGNWNAU-UHFFFAOYSA-N 2 0 352.523 0.808 20 0 FCADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206156 850240294 /nfs/dbraw/zinc/24/02/94/850240294.db2.gz XQGGFCWQYQBZSR-OAHLLOKOSA-N 2 0 355.504 0.001 20 0 FCADRP [NH3+][C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239351 850243617 /nfs/dbraw/zinc/24/36/17/850243617.db2.gz ZMVMDLHETWABDA-LSDHHAIUSA-N 2 0 350.850 0.666 20 0 FCADRP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001161328793 850251799 /nfs/dbraw/zinc/25/17/99/850251799.db2.gz IYLCSIJSJRLMGM-INIZCTEOSA-N 2 0 364.515 0.769 20 0 FCADRP CC(C)N(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC001161353358 850253048 /nfs/dbraw/zinc/25/30/48/850253048.db2.gz OMMFVZMAUMHZFV-RYUDHWBXSA-N 2 0 352.401 0.761 20 0 FCADRP COc1ccnc(N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001161386763 850257364 /nfs/dbraw/zinc/25/73/64/850257364.db2.gz UMFLLEZMVDZOQQ-AWEZNQCLSA-N 3 0 353.492 0.194 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424125 850258190 /nfs/dbraw/zinc/25/81/90/850258190.db2.gz ZGPILHACCUQFAB-KKUMJFAQSA-N 2 0 352.479 0.036 20 0 FCADRP O=C([C@H](c1cccc(Br)c1)N1CC[NH2+]CC1)N1CC[NH2+]C1 ZINC001161418845 850258847 /nfs/dbraw/zinc/25/88/47/850258847.db2.gz SHFQPGPXYCUCQD-AWEZNQCLSA-N 2 0 353.264 0.785 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161447712 850259518 /nfs/dbraw/zinc/25/95/18/850259518.db2.gz YMGFTBDEWJXODM-JENIJYKNSA-N 3 0 352.523 0.677 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1csc([C@H]3CCC[NH2+]3)n1)CC2 ZINC001161477329 850261940 /nfs/dbraw/zinc/26/19/40/850261940.db2.gz DYYFNKOGJXLNAT-NDGTYSDOSA-N 2 0 364.471 0.935 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCOc2ccc(Br)cc2C1 ZINC001161499929 850264833 /nfs/dbraw/zinc/26/48/33/850264833.db2.gz NFLAJURBMNLLBX-ZDUSSCGKSA-N 2 0 366.259 0.979 20 0 FCADRP [NH3+][C@H]1CN(C(=O)[C@@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)CC12COC2 ZINC001161500850 850265458 /nfs/dbraw/zinc/26/54/58/850265458.db2.gz QGPLTDSCILSTCG-QLFBSQMISA-N 2 0 350.488 0.398 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595136 850274146 /nfs/dbraw/zinc/27/41/46/850274146.db2.gz KSWCEUDGCIIPNK-INIZCTEOSA-N 2 0 362.499 0.762 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601274 850274546 /nfs/dbraw/zinc/27/45/46/850274546.db2.gz BJCOPDVOTHPJKU-YESZJQIVSA-N 2 0 358.502 0.753 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001162294795 850306584 /nfs/dbraw/zinc/30/65/84/850306584.db2.gz YAXYSXXSNOBEOM-UHFFFAOYSA-N 2 0 371.507 0.233 20 0 FCADRP C[C@@H]1C[C@@H](CNc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)C[NH2+]1 ZINC001162552540 850324855 /nfs/dbraw/zinc/32/48/55/850324855.db2.gz LZJJKQZWGGUBIT-ZIAGYGMSSA-N 2 0 353.492 0.573 20 0 FCADRP COC(=O)[C@@H](Nc1ncc(OCC2CC[NH+](C)CC2)cn1)C(C)(C)[NH3+] ZINC001162943156 850340053 /nfs/dbraw/zinc/34/00/53/850340053.db2.gz ZZEPFEYCOCEKAX-CQSZACIVSA-N 2 0 351.451 0.888 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001163128632 850356826 /nfs/dbraw/zinc/35/68/26/850356826.db2.gz OCXSHOKIOZQNLR-UHFFFAOYSA-N 2 0 354.480 0.800 20 0 FCADRP O=S(=O)(c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1)C1CC[NH2+]CC1 ZINC001163146479 850358110 /nfs/dbraw/zinc/35/81/10/850358110.db2.gz PGSDPUFTKGYQLW-BRWVUGGUSA-N 2 0 351.472 0.611 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC2(C[C@H]2C(=O)NCCCOC)CC1 ZINC001277833074 862121621 /nfs/dbraw/zinc/12/16/21/862121621.db2.gz BBARZAJCZSNKSO-IRXDYDNUSA-N 2 0 355.523 0.944 20 0 FCADRP CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001164582298 850417726 /nfs/dbraw/zinc/41/77/26/850417726.db2.gz GOMKDVZLNHMITQ-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(C[NH3+])ncn1)C2 ZINC001165372618 850438284 /nfs/dbraw/zinc/43/82/84/850438284.db2.gz IQZCBIPMHMAJQZ-ZIAGYGMSSA-N 2 0 359.352 0.457 20 0 FCADRP CC(=O)N1CC2(C1)C[N@H+](C1CCC([NH+](C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001168330248 850582255 /nfs/dbraw/zinc/58/22/55/850582255.db2.gz NUDNLXVRNDZSDD-JCYILVPMSA-N 2 0 350.507 0.728 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)cc([C@H]3CCC(=O)NC3)n2)CC1 ZINC001168735321 850591337 /nfs/dbraw/zinc/59/13/37/850591337.db2.gz OCQMEOABXFSWCL-JTQLQIEISA-N 2 0 351.842 0.718 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)COCCN(S(C)(=O)=O)C3)C2 ZINC001169133969 850608165 /nfs/dbraw/zinc/60/81/65/850608165.db2.gz ORSXEALJYBSQSO-FVQHAEBGSA-N 2 0 371.547 0.986 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(N3CC[NH2+][C@@H](C)C3)nn2)O1 ZINC001170272662 850648934 /nfs/dbraw/zinc/64/89/34/850648934.db2.gz JUWCNTZVRFJDAC-CFAJVAMVSA-N 2 0 350.467 0.411 20 0 FCADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCCOCCOCC[NH3+] ZINC001170505824 850655052 /nfs/dbraw/zinc/65/50/52/850655052.db2.gz UCXQNGBMTVIEHA-UHFFFAOYSA-N 2 0 352.483 0.364 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173134045 850718001 /nfs/dbraw/zinc/71/80/01/850718001.db2.gz XLNSBAROHFNCPV-HNNXBMFYSA-N 2 0 373.519 0.615 20 0 FCADRP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3CC(=O)NC)CC1 ZINC001173109549 850718168 /nfs/dbraw/zinc/71/81/68/850718168.db2.gz CVBALFQADQXROH-HIEASXQVSA-N 2 0 352.523 0.770 20 0 FCADRP COC(=O)[C@@H]1C[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C[C@@H]1C(=O)OC ZINC001173578847 850728819 /nfs/dbraw/zinc/72/88/19/850728819.db2.gz RPXFADZRQMQYQP-AYMMMOKOSA-N 2 0 362.477 0.611 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178730963 850921015 /nfs/dbraw/zinc/92/10/15/850921015.db2.gz HQSBVSWMRXNHPO-QXSJWSMHSA-N 2 0 371.547 0.730 20 0 FCADRP C[C@@H](C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1)[NH+](C)C ZINC001180862355 851072597 /nfs/dbraw/zinc/07/25/97/851072597.db2.gz NOQDDWFKEWRRKC-ZNMIVQPWSA-N 2 0 354.495 0.994 20 0 FCADRP CC(=O)N[C@@H](CSCc1ccccc1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182176383 851162304 /nfs/dbraw/zinc/16/23/04/851162304.db2.gz AYSRQSSGFWMKGV-HNNXBMFYSA-N 2 0 365.503 0.885 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001182736279 851194983 /nfs/dbraw/zinc/19/49/83/851194983.db2.gz GUAIOTZNJOVEDT-OAHLLOKOSA-N 2 0 356.511 0.212 20 0 FCADRP CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001183310240 851242624 /nfs/dbraw/zinc/24/26/24/851242624.db2.gz SPTYTPCMFLXAAQ-LLVKDONJSA-N 2 0 355.439 0.273 20 0 FCADRP CC(C)[C@H](C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[NH+](C)C ZINC001183366089 851244569 /nfs/dbraw/zinc/24/45/69/851244569.db2.gz MMWIETQZFPGQSA-MRXNPFEDSA-N 2 0 368.503 0.519 20 0 FCADRP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576427 851253229 /nfs/dbraw/zinc/25/32/29/851253229.db2.gz LZYIRBBPHXEVKR-RBSFLKMASA-N 2 0 354.495 0.201 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1c2ccc(F)cc2[nH]c1=O ZINC001184520321 851311994 /nfs/dbraw/zinc/31/19/94/851311994.db2.gz AKCSHGWFTMJLOF-UHFFFAOYSA-N 2 0 350.398 0.945 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001185264708 851348499 /nfs/dbraw/zinc/34/84/99/851348499.db2.gz YOTSBSVVTYXKSX-TXKKKEFDSA-N 2 0 354.495 0.330 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185911996 851398529 /nfs/dbraw/zinc/39/85/29/851398529.db2.gz NZVVFQUYBZAFLA-UHFFFAOYSA-N 2 0 367.845 0.126 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2nsnc2c1 ZINC001186242298 851421371 /nfs/dbraw/zinc/42/13/71/851421371.db2.gz ZGZBTCFWCKHGDK-UHFFFAOYSA-N 2 0 357.505 0.805 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 ZINC001188107158 851645351 /nfs/dbraw/zinc/64/53/51/851645351.db2.gz IMUKAFZWEIGTIX-CWRNSKLLSA-N 2 0 352.458 0.528 20 0 FCADRP CCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188106898 851645594 /nfs/dbraw/zinc/64/55/94/851645594.db2.gz BQLWLVBYOLHCIY-HRCADAONSA-N 2 0 356.486 0.725 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034353 851743847 /nfs/dbraw/zinc/74/38/47/851743847.db2.gz IRGQGPXQUQYKSC-YESZJQIVSA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001189151428 851760044 /nfs/dbraw/zinc/76/00/44/851760044.db2.gz INTBRFLKQKZXKQ-YESZJQIVSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001189907043 851840634 /nfs/dbraw/zinc/84/06/34/851840634.db2.gz RALKUPUGCVYTTF-DLBZAZTESA-N 2 0 354.495 0.014 20 0 FCADRP CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278395742 862313756 /nfs/dbraw/zinc/31/37/56/862313756.db2.gz DEVHJIJCXKPSOV-PMPSAXMXSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278395737 862313834 /nfs/dbraw/zinc/31/38/34/862313834.db2.gz DEVHJIJCXKPSOV-ARFHVFGLSA-N 2 0 350.507 0.633 20 0 FCADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977732 852328384 /nfs/dbraw/zinc/32/83/84/852328384.db2.gz KDNQDFOARNORNE-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC001194787646 852651629 /nfs/dbraw/zinc/65/16/29/852651629.db2.gz SPHAWIGMTAYYLN-UHFFFAOYSA-N 2 0 364.841 0.993 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997491 852690093 /nfs/dbraw/zinc/69/00/93/852690093.db2.gz RPUJUTBVNFDUOO-KBAYOESNSA-N 2 0 355.523 0.963 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001196636504 852990975 /nfs/dbraw/zinc/99/09/75/852990975.db2.gz BOSXPLGJAXODAW-QZTJIDSGSA-N 2 0 353.507 0.696 20 0 FCADRP COC(=O)CCCCS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001196939207 853035858 /nfs/dbraw/zinc/03/58/58/853035858.db2.gz WJTAOYBTCUTCNU-UHFFFAOYSA-N 2 0 365.540 0.865 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198028445 853206817 /nfs/dbraw/zinc/20/68/17/853206817.db2.gz ABSKJIWOYDXLFP-FGTMMUONSA-N 2 0 355.523 0.821 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001198729717 853308443 /nfs/dbraw/zinc/30/84/43/853308443.db2.gz YWZXSJZEAKPDGO-KZNAEPCWSA-N 2 0 353.507 0.840 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538338 853502394 /nfs/dbraw/zinc/50/23/94/853502394.db2.gz YZDWVULWTQHOLE-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+]1CCN(c2cc(Nc3nc(N)c(Cl)nc3C(N)=O)cc[nH+]2)CC1 ZINC001201658468 853536527 /nfs/dbraw/zinc/53/65/27/853536527.db2.gz ABUCFVBANQCDQA-UHFFFAOYSA-N 2 0 362.825 0.702 20 0 FCADRP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207280735 853796152 /nfs/dbraw/zinc/79/61/52/853796152.db2.gz UJENCXAGWARZMB-IBGZPJMESA-N 2 0 352.523 0.977 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207280081 853796530 /nfs/dbraw/zinc/79/65/30/853796530.db2.gz MZBRGOPNIDNYFA-LJQANCHMSA-N 2 0 354.539 0.735 20 0 FCADRP O=C([C@@H]1C[C@]2(CO1)CCC[N@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437412 853812776 /nfs/dbraw/zinc/81/27/76/853812776.db2.gz WJXSZGQBASXLGQ-PKOBYXMFSA-N 2 0 351.491 0.716 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](CC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001207447012 853815464 /nfs/dbraw/zinc/81/54/64/853815464.db2.gz RNSWZKUXCZKCBP-UHFFFAOYSA-N 2 0 358.552 0.370 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853867 /nfs/dbraw/zinc/85/38/67/853853867.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 2 0 351.495 0.411 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036192 853884822 /nfs/dbraw/zinc/88/48/22/853884822.db2.gz ASJPFRYFNSMSBG-LDBBTLTOSA-N 2 0 351.491 0.713 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001208434805 853933045 /nfs/dbraw/zinc/93/30/45/853933045.db2.gz CQFWXQWWUCAZPL-OAGGEKHMSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447688 853935559 /nfs/dbraw/zinc/93/55/59/853935559.db2.gz LRIJCVHPIRPZAU-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208609991 853959254 /nfs/dbraw/zinc/95/92/54/853959254.db2.gz OJNGSJSTSITHRH-VSZNYVQBSA-N 2 0 351.491 0.524 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835822 854057124 /nfs/dbraw/zinc/05/71/24/854057124.db2.gz AIZIRXWCFMIJFA-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315205 854099602 /nfs/dbraw/zinc/09/96/02/854099602.db2.gz MIEZRPBYNSKPJI-UKRRQHHQSA-N 2 0 353.467 0.325 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329891 854100449 /nfs/dbraw/zinc/10/04/49/854100449.db2.gz JRQVRIFMVQWDHR-BRWVUGGUSA-N 2 0 353.507 0.552 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001210484759 854114242 /nfs/dbraw/zinc/11/42/42/854114242.db2.gz BTWBKCXYWWUGML-BRWVUGGUSA-N 2 0 359.511 0.179 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001211047044 854149851 /nfs/dbraw/zinc/14/98/51/854149851.db2.gz YPHHWYFFJZWABY-SOLBZPMBSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1C ZINC001211046986 854150441 /nfs/dbraw/zinc/15/04/41/854150441.db2.gz XWYRGFAVRYGUCS-SOLBZPMBSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309712 854175905 /nfs/dbraw/zinc/17/59/05/854175905.db2.gz LGXCMFZXZQPCHC-RBSFLKMASA-N 2 0 350.463 0.104 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001211350722 854180249 /nfs/dbraw/zinc/18/02/49/854180249.db2.gz VWHGWKNSFYRRRA-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293582 854430706 /nfs/dbraw/zinc/43/07/06/854430706.db2.gz YEOSUVCOQOEPLR-RCCFBDPRSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213721516 854734927 /nfs/dbraw/zinc/73/49/27/854734927.db2.gz SBLDJXVSZGDUGS-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759301 854754582 /nfs/dbraw/zinc/75/45/82/854754582.db2.gz FXLQWTKURKYQGW-ARFHVFGLSA-N 2 0 356.511 0.401 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759435 854754732 /nfs/dbraw/zinc/75/47/32/854754732.db2.gz LGHSXTPYWFQNHD-RBSFLKMASA-N 2 0 356.511 0.447 20 0 FCADRP CCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213759250 854754770 /nfs/dbraw/zinc/75/47/70/854754770.db2.gz BXMXYESFRXOFOZ-BZUAXINKSA-N 2 0 356.511 0.448 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868495 854799773 /nfs/dbraw/zinc/79/97/73/854799773.db2.gz XWTWWARRNMHGCK-BRWVUGGUSA-N 2 0 357.495 0.075 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922057 854825385 /nfs/dbraw/zinc/82/53/85/854825385.db2.gz OSMLEGZZBNTVPP-IAGOWNOFSA-N 2 0 357.495 0.341 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001214335715 854927011 /nfs/dbraw/zinc/92/70/11/854927011.db2.gz GTHFFBYCSJRPKS-FVQBIDKESA-N 2 0 364.515 0.895 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214597136 854975959 /nfs/dbraw/zinc/97/59/59/854975959.db2.gz DUMDQTLMFPSGDC-DJIMGWMZSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646846 854985676 /nfs/dbraw/zinc/98/56/76/854985676.db2.gz ZFYKXNQISFTEKD-DJIMGWMZSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)OC ZINC001214655399 854986941 /nfs/dbraw/zinc/98/69/41/854986941.db2.gz JFFRCKQSKCXBCR-BFYDXBDKSA-N 2 0 351.495 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)CC[N@@H+]1C ZINC001214665998 854989054 /nfs/dbraw/zinc/98/90/54/854989054.db2.gz PFHUOHMSPNXMII-YYIAUSFCSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214747324 855001107 /nfs/dbraw/zinc/00/11/07/855001107.db2.gz NVOPTNAKXUBEEQ-ZYHUDNBSSA-N 2 0 367.475 0.055 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747127 855001764 /nfs/dbraw/zinc/00/17/64/855001764.db2.gz FFEFPNFLOBRVON-YRGRVCCFSA-N 2 0 352.504 0.994 20 0 FCADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757155 855002837 /nfs/dbraw/zinc/00/28/37/855002837.db2.gz CKOPFTIIFPNEJJ-FVQBIDKESA-N 2 0 354.474 0.914 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214755070 855002924 /nfs/dbraw/zinc/00/29/24/855002924.db2.gz QNMPFCJLEBSZBV-RBSFLKMASA-N 2 0 365.515 0.538 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214856200 855024896 /nfs/dbraw/zinc/02/48/96/855024896.db2.gz XXUIXCOGBUNIBX-OWCLPIDISA-N 2 0 359.536 0.730 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214863408 855026046 /nfs/dbraw/zinc/02/60/46/855026046.db2.gz LVKSXPFYBRCJOE-CKEIUWERSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)N(C)C ZINC001214948576 855038937 /nfs/dbraw/zinc/03/89/37/855038937.db2.gz RMTOXEPNWLUNIU-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001215000074 855049451 /nfs/dbraw/zinc/04/94/51/855049451.db2.gz WTRVVLUDDLXSBW-RRFJBIMHSA-N 2 0 361.552 0.834 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001214996834 855049814 /nfs/dbraw/zinc/04/98/14/855049814.db2.gz DJOOSGZWZVCQNI-ZIAGYGMSSA-N 2 0 362.540 0.093 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056742 855059288 /nfs/dbraw/zinc/05/92/88/855059288.db2.gz FXPYDXIXTOKHPV-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184746 855078249 /nfs/dbraw/zinc/07/82/49/855078249.db2.gz RLDDWVBTQOQGFL-LDBBTLTOSA-N 2 0 351.491 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215228461 855085699 /nfs/dbraw/zinc/08/56/99/855085699.db2.gz QHZGYLRLUMPIIZ-HYVNUMGLSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397105 855109977 /nfs/dbraw/zinc/10/99/77/855109977.db2.gz SYHKLAUTBVMLRG-LTIDMASMSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001215413336 855111450 /nfs/dbraw/zinc/11/14/50/855111450.db2.gz CAGTXHZKXVIPNW-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414327 855111936 /nfs/dbraw/zinc/11/19/36/855111936.db2.gz UATZTNPPZLLWPP-BRWVUGGUSA-N 2 0 355.523 0.798 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)C1=O ZINC001215413404 855112328 /nfs/dbraw/zinc/11/23/28/855112328.db2.gz FNGNTUJWZQNSFQ-OWCLPIDISA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001215453791 855117227 /nfs/dbraw/zinc/11/72/27/855117227.db2.gz RPVWACNOOBAJDE-TZMCWYRMSA-N 2 0 365.503 0.860 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001215461154 855118304 /nfs/dbraw/zinc/11/83/04/855118304.db2.gz UGMOMCGPEMZQSY-TZMCWYRMSA-N 2 0 357.476 0.571 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540306 855126596 /nfs/dbraw/zinc/12/65/96/855126596.db2.gz LGZDQHPUXQMDKA-OWCLPIDISA-N 2 0 359.536 0.732 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1 ZINC001215993699 855163225 /nfs/dbraw/zinc/16/32/25/855163225.db2.gz BUIWKBDEXGNAME-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216053431 855166452 /nfs/dbraw/zinc/16/64/52/855166452.db2.gz MWOAXHWLQGDQML-NVXWUHKLSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001216216899 855180825 /nfs/dbraw/zinc/18/08/25/855180825.db2.gz FCIADSAPQQDYQA-CHWSQXEVSA-N 2 0 353.492 0.860 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216400885 855199494 /nfs/dbraw/zinc/19/94/94/855199494.db2.gz CPRHCJQMRPYAIO-CHWSQXEVSA-N 2 0 369.491 0.096 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(C)(C)C ZINC001216410252 855200399 /nfs/dbraw/zinc/20/03/99/855200399.db2.gz WQJIQTQIGMYQPQ-QLFBSQMISA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409215 855200419 /nfs/dbraw/zinc/20/04/19/855200419.db2.gz CQOVYXISXAKIPD-BZUAXINKSA-N 2 0 350.507 0.679 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463260 855204955 /nfs/dbraw/zinc/20/49/55/855204955.db2.gz BHJVAHJFOUMRRY-HZPDHXFCSA-N 2 0 356.511 0.308 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1 ZINC001216503720 855208884 /nfs/dbraw/zinc/20/88/84/855208884.db2.gz WPNYLGWJSGGVSI-TZMCWYRMSA-N 2 0 351.451 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216754267 855232739 /nfs/dbraw/zinc/23/27/39/855232739.db2.gz NHVROBRVQDCZIH-JHJVBQTASA-N 2 0 351.476 0.470 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC2CC2)C1 ZINC001216757747 855233770 /nfs/dbraw/zinc/23/37/70/855233770.db2.gz KSQLTEVTWYAIJH-SOLBZPMBSA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216829217 855250928 /nfs/dbraw/zinc/25/09/28/855250928.db2.gz SCYWFPROFQCLOD-RHSMWYFYSA-N 2 0 367.515 0.843 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001216835963 855253658 /nfs/dbraw/zinc/25/36/58/855253658.db2.gz PPGANIOPFGSIPV-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)[NH+]1CCCCC1 ZINC001216846749 855257752 /nfs/dbraw/zinc/25/77/52/855257752.db2.gz XBMKHWJKPJGMDZ-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216851896 855259473 /nfs/dbraw/zinc/25/94/73/855259473.db2.gz KPOGGTILCBPMSV-ZIAGYGMSSA-N 2 0 367.519 0.883 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216851819 855259849 /nfs/dbraw/zinc/25/98/49/855259849.db2.gz JBPZDLGFLYMPTB-BZUAXINKSA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001216980545 855272915 /nfs/dbraw/zinc/27/29/15/855272915.db2.gz LWPVRCNBOIJXFU-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC2(C[NH2+]C2)C1 ZINC001218233809 855409733 /nfs/dbraw/zinc/40/97/33/855409733.db2.gz AILGYYJBLMWFSM-JTQLQIEISA-N 2 0 350.419 0.282 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218400265 855423645 /nfs/dbraw/zinc/42/36/45/855423645.db2.gz UDMYMSPZFWXEPW-SNVBAGLBSA-N 2 0 350.419 0.282 20 0 FCADRP Nc1ccc(I)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001218505394 855430868 /nfs/dbraw/zinc/43/08/68/855430868.db2.gz FFZJORUMCNYTFV-ZETCQYMHSA-N 2 0 373.198 0.016 20 0 FCADRP [NH3+][C@@H]1CCc2nc(NC(=O)C3([NH3+])CCC4(CC3)OCCO4)sc2C1 ZINC001218533816 855436146 /nfs/dbraw/zinc/43/61/46/855436146.db2.gz PSCHDEVYOQPKEN-SNVBAGLBSA-N 2 0 352.460 0.912 20 0 FCADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218553277 855438603 /nfs/dbraw/zinc/43/86/03/855438603.db2.gz XFGZTOJAJFSHIF-QMMMGPOBSA-N 2 0 357.436 0.204 20 0 FCADRP CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218596219 855446572 /nfs/dbraw/zinc/44/65/72/855446572.db2.gz YJCCWZRCSVOBGY-SECBINFHSA-N 2 0 367.435 0.028 20 0 FCADRP CCOC(=O)c1sc(SC)nc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218632884 855453684 /nfs/dbraw/zinc/45/36/84/855453684.db2.gz CNKAASWOUXQVHI-QMMMGPOBSA-N 2 0 356.473 0.789 20 0 FCADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710248 855468184 /nfs/dbraw/zinc/46/81/84/855468184.db2.gz DGXDRHHTPZSRCL-RYUDHWBXSA-N 2 0 368.459 0.452 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1 ZINC001218736280 855472366 /nfs/dbraw/zinc/47/23/66/855472366.db2.gz KMEXGPYRRZOLJZ-ZDUSSCGKSA-N 2 0 364.475 0.581 20 0 FCADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)cc1 ZINC001218890938 855491941 /nfs/dbraw/zinc/49/19/41/855491941.db2.gz LJWBSWXHNYTYAQ-HNNXBMFYSA-N 2 0 356.492 0.434 20 0 FCADRP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218893719 855492695 /nfs/dbraw/zinc/49/26/95/855492695.db2.gz FASXHGDPVJVDFD-LBPRGKRZSA-N 2 0 352.460 0.121 20 0 FCADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1 ZINC001218901190 855494022 /nfs/dbraw/zinc/49/40/22/855494022.db2.gz BMHAVUMAHWHCQW-LBPRGKRZSA-N 2 0 358.464 0.298 20 0 FCADRP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218927139 855498014 /nfs/dbraw/zinc/49/80/14/855498014.db2.gz AFLYKZXLSMVWHV-VIFPVBQESA-N 2 0 369.422 0.457 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233328 855595040 /nfs/dbraw/zinc/59/50/40/855595040.db2.gz LZBHGNWROLIKOM-CJNGLKHVSA-N 2 0 365.503 0.707 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290435 855618722 /nfs/dbraw/zinc/61/87/22/855618722.db2.gz BWUBJKXDNUUZLO-RKNYENMMSA-N 2 0 356.467 0.788 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301203 855621541 /nfs/dbraw/zinc/62/15/41/855621541.db2.gz LQPGYZKUTUFDLW-NSHDSACASA-N 2 0 352.410 0.878 20 0 FCADRP [NH3+]CCNC(=O)/C=C/C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301158 855621743 /nfs/dbraw/zinc/62/17/43/855621743.db2.gz KBWVOSHOPPRPNA-SNAWJCMRSA-N 2 0 350.394 0.526 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219639179 855749967 /nfs/dbraw/zinc/74/99/67/855749967.db2.gz VPVAOQGHKZPHFF-PEDHHIEDSA-N 2 0 362.515 0.414 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)CC[N@@H+]1C ZINC001219655963 855755639 /nfs/dbraw/zinc/75/56/39/855755639.db2.gz DJPXHIMSQIXBOD-SYQHCUMBSA-N 2 0 367.412 0.457 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219650585 855756232 /nfs/dbraw/zinc/75/62/32/855756232.db2.gz PPVSXWIWVRHPRU-LEOABGAYSA-N 2 0 372.579 0.960 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001219720381 855784735 /nfs/dbraw/zinc/78/47/35/855784735.db2.gz KSXLKKFLEJTXND-LZWOXQAQSA-N 2 0 368.275 0.956 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219731866 855789987 /nfs/dbraw/zinc/78/99/87/855789987.db2.gz INZLHQZOQTZZTA-MCIONIFRSA-N 2 0 351.413 0.873 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)c2ccsc2)C1 ZINC001219736816 855792248 /nfs/dbraw/zinc/79/22/48/855792248.db2.gz IGLSRAYIFPDQMA-PMPSAXMXSA-N 2 0 364.515 0.707 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219744106 855794888 /nfs/dbraw/zinc/79/48/88/855794888.db2.gz SJRNLBUBGHWQPK-IKGGRYGDSA-N 2 0 350.507 0.478 20 0 FCADRP [NH3+][C@@H](CSc1ccccc1)CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748765 855797831 /nfs/dbraw/zinc/79/78/31/855797831.db2.gz AZOZFQUKTAFRRN-CYBMUJFWSA-N 2 0 360.487 0.897 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219793669 855814626 /nfs/dbraw/zinc/81/46/26/855814626.db2.gz JJQWWXUNVHOQJS-HNAYVOBHSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219794150 855815072 /nfs/dbraw/zinc/81/50/72/855815072.db2.gz RWWQDTZRMBIHIX-OAHLLOKOSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219793668 855815188 /nfs/dbraw/zinc/81/51/88/855815188.db2.gz JJQWWXUNVHOQJS-DNVCBOLYSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219800814 855819644 /nfs/dbraw/zinc/81/96/44/855819644.db2.gz NTDKTWQTWRCWDV-HZPDHXFCSA-N 3 0 350.507 0.335 20 0 FCADRP [NH3+][C@H](C(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001219800008 855819893 /nfs/dbraw/zinc/81/98/93/855819893.db2.gz GJALUMKMDVLLOR-CABCVRRESA-N 2 0 353.463 0.132 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219812696 855828360 /nfs/dbraw/zinc/82/83/60/855828360.db2.gz GYLGCKFJLUNAPN-BQFCYCMXSA-N 2 0 364.515 0.437 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)c1ccc(Br)cc1 ZINC001219812437 855828525 /nfs/dbraw/zinc/82/85/25/855828525.db2.gz BBEOJGDDGAOISG-LNSITVRQSA-N 2 0 354.248 0.801 20 0 FCADRP [NH3+][C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1ccc(Br)cc1 ZINC001219831198 855836131 /nfs/dbraw/zinc/83/61/31/855836131.db2.gz AYKAUXMAVCBNES-ZZVYKPCYSA-N 2 0 354.248 0.942 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831434 855836244 /nfs/dbraw/zinc/83/62/44/855836244.db2.gz KNBRZDPYOKWSSD-LSKIRQOJSA-N 2 0 374.304 0.874 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219833722 855837197 /nfs/dbraw/zinc/83/71/97/855837197.db2.gz HYCIMUOXRZVZBK-JTDSTZFVSA-N 2 0 351.491 0.668 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001219868852 855853925 /nfs/dbraw/zinc/85/39/25/855853925.db2.gz BPMNUBOWQVQMFC-UPJWGTAASA-N 2 0 355.401 0.457 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954392 855895395 /nfs/dbraw/zinc/89/53/95/855895395.db2.gz HYUUYWMTHCGDBT-HNNXBMFYSA-N 2 0 356.511 0.674 20 0 FCADRP Cc1nn(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C)c1Br ZINC001219997304 855911400 /nfs/dbraw/zinc/91/14/00/855911400.db2.gz RKEVPBYCTFJYOL-LLVKDONJSA-N 2 0 356.268 0.188 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001220053652 855934210 /nfs/dbraw/zinc/93/42/10/855934210.db2.gz ZGGVENVHKJKQKO-KGLIPLIRSA-N 2 0 363.487 0.522 20 0 FCADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220053276 855934579 /nfs/dbraw/zinc/93/45/79/855934579.db2.gz CTRORRFRBBLHQB-CVEARBPZSA-N 2 0 350.463 0.331 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073971 855946724 /nfs/dbraw/zinc/94/67/24/855946724.db2.gz RPUJUTBVNFDUOO-NXHRZFHOSA-N 2 0 355.523 0.963 20 0 FCADRP N=C(NC(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12)SCC[NH3+] ZINC001220106055 855963799 /nfs/dbraw/zinc/96/37/99/855963799.db2.gz AHVLFGSKYIRCCQ-LBPRGKRZSA-N 2 0 364.427 0.501 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127210 855972345 /nfs/dbraw/zinc/97/23/45/855972345.db2.gz MJERJIJQIDEJFC-HNNXBMFYSA-N 2 0 352.479 0.647 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220151821 855984079 /nfs/dbraw/zinc/98/40/79/855984079.db2.gz ITNYOTGLJUTKQI-RNJOBUHISA-N 2 0 362.565 0.158 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001220200169 856005684 /nfs/dbraw/zinc/00/56/84/856005684.db2.gz CDPGQYSNGRBGEL-WMZOPIPTSA-N 2 0 352.523 0.677 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001220200166 856006259 /nfs/dbraw/zinc/00/62/59/856006259.db2.gz CDPGQYSNGRBGEL-AEFFLSMTSA-N 2 0 352.523 0.677 20 0 FCADRP O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220258671 856033495 /nfs/dbraw/zinc/03/34/95/856033495.db2.gz PIWJZCGJEFFHAF-QGZVFWFLSA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315510 856061413 /nfs/dbraw/zinc/06/14/13/856061413.db2.gz DRDUJMVQMZICGO-IYOUNJFTSA-N 2 0 355.479 0.853 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351973 856080497 /nfs/dbraw/zinc/08/04/97/856080497.db2.gz OSLRDCNJXCVMIK-MCIONIFRSA-N 2 0 367.412 0.601 20 0 FCADRP CSc1ccc(OCCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220422728 856118575 /nfs/dbraw/zinc/11/85/75/856118575.db2.gz LUZVEGFZWOJURG-INIZCTEOSA-N 2 0 352.504 0.654 20 0 FCADRP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220478784 856146714 /nfs/dbraw/zinc/14/67/14/856146714.db2.gz KNAUBAGCRFJYOG-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)O1 ZINC001220481753 856147327 /nfs/dbraw/zinc/14/73/27/856147327.db2.gz PXERCZASHVBVMD-SSKLVLDBSA-N 2 0 353.385 0.758 20 0 FCADRP CC(C)(C)C(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001220495103 856152944 /nfs/dbraw/zinc/15/29/44/856152944.db2.gz YGXQJCFIHQTVRI-DNVCBOLYSA-N 2 0 350.507 0.586 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220521607 856165242 /nfs/dbraw/zinc/16/52/42/856165242.db2.gz JVVBNAGFXPEOQX-ACJLOTCBSA-N 2 0 351.447 0.462 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@@H]1CC[NH2+]C[C@H]1F)S(=O)(=O)c1ccccc1 ZINC001220535931 856171067 /nfs/dbraw/zinc/17/10/67/856171067.db2.gz PZGZXLWUKQKCNZ-ZIAGYGMSSA-N 2 0 357.451 0.889 20 0 FCADRP CCOCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728369 856265085 /nfs/dbraw/zinc/26/50/85/856265085.db2.gz IPWWXFYMQRNDTF-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220798992 856307101 /nfs/dbraw/zinc/30/71/01/856307101.db2.gz KTVMINUVUNOZBA-KGLIPLIRSA-N 2 0 369.428 0.849 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1cccnc1N1CC[NH2+]CC1 ZINC001220802949 856308120 /nfs/dbraw/zinc/30/81/20/856308120.db2.gz AJXMJIHNVFBBPK-QWHCGFSZSA-N 2 0 357.380 0.761 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803350 856309386 /nfs/dbraw/zinc/30/93/86/856309386.db2.gz FFEGHWIJBWGLDW-XQLPTFJDSA-N 2 0 359.392 0.964 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)C[NH2+]C1 ZINC001220851464 856336731 /nfs/dbraw/zinc/33/67/31/856336731.db2.gz WVBNUUIKFNAOGG-GFCCVEGCSA-N 2 0 359.348 0.597 20 0 FCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220859657 856342487 /nfs/dbraw/zinc/34/24/87/856342487.db2.gz IMBBIRNNJJEDGH-CABCVRRESA-N 2 0 366.531 0.853 20 0 FCADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001220908918 856368737 /nfs/dbraw/zinc/36/87/37/856368737.db2.gz CYCRFZNOQFOOAQ-AWEZNQCLSA-N 2 0 352.479 0.132 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220935891 856384820 /nfs/dbraw/zinc/38/48/20/856384820.db2.gz AAUGALMVZPSDNK-AJNGGQMLSA-N 2 0 374.551 0.092 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001220986024 856408737 /nfs/dbraw/zinc/40/87/37/856408737.db2.gz OSTPFQHVVBNVJE-NXHRZFHOSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001220986221 856408820 /nfs/dbraw/zinc/40/88/20/856408820.db2.gz WSZVZIVJURNOHF-NXHRZFHOSA-N 2 0 353.507 0.696 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001221073458 856450180 /nfs/dbraw/zinc/45/01/80/856450180.db2.gz XLTBBDGWSUMART-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCS(=O)(=O)CC1 ZINC001221214521 856518899 /nfs/dbraw/zinc/51/88/99/856518899.db2.gz GZMNODCIPAEEFN-OAHLLOKOSA-N 2 0 371.547 0.970 20 0 FCADRP C[NH2+]CCC(=O)N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341330 856552727 /nfs/dbraw/zinc/55/27/27/856552727.db2.gz SBGZITYMHZXZSW-AWEZNQCLSA-N 3 0 365.503 0.885 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](C)C1 ZINC001221407683 856560114 /nfs/dbraw/zinc/56/01/14/856560114.db2.gz DUIPUIPJDIJATA-SOUVJXGZSA-N 2 0 356.511 0.480 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414041 856560472 /nfs/dbraw/zinc/56/04/72/856560472.db2.gz SBEPWRSOWKPRJX-NVXWUHKLSA-N 2 0 354.882 0.766 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001221410063 856560641 /nfs/dbraw/zinc/56/06/41/856560641.db2.gz ABCDCZKCVRKVGL-QGZVFWFLSA-N 2 0 368.909 0.981 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001221791589 856685870 /nfs/dbraw/zinc/68/58/70/856685870.db2.gz UDGLIWPJKRXMEJ-CHWSQXEVSA-N 2 0 364.412 0.539 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001221848468 856708667 /nfs/dbraw/zinc/70/86/67/856708667.db2.gz PTVJIPJFFUIIAQ-RCCFBDPRSA-N 2 0 353.507 0.793 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221883750 856722441 /nfs/dbraw/zinc/72/24/41/856722441.db2.gz SQQJTKYAJFCCLY-FGTMMUONSA-N 2 0 355.523 0.894 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221957952 856748786 /nfs/dbraw/zinc/74/87/86/856748786.db2.gz CXXGOXIBSQBWNV-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP Cc1ncc(CO)c(CN2C[C@@H]3CN(CC[NH+](C)C)C[C@H](C2)O3)c1O ZINC001279326916 862831802 /nfs/dbraw/zinc/83/18/02/862831802.db2.gz YITSPXARJOMERR-IYBDPMFKSA-N 2 0 350.463 0.035 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222694038 856866256 /nfs/dbraw/zinc/86/62/56/856866256.db2.gz MKTXFZWUYJQIRN-SQNIBIBYSA-N 2 0 351.491 0.260 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001226334714 857098751 /nfs/dbraw/zinc/09/87/51/857098751.db2.gz YXHMAVPHKXTSHR-KLHDSHLOSA-N 2 0 374.551 0.235 20 0 FCADRP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227613808 857167051 /nfs/dbraw/zinc/16/70/51/857167051.db2.gz NFXOWHUBHBVXGD-RVKOJVRFSA-N 2 0 351.491 0.903 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001228207682 857197407 /nfs/dbraw/zinc/19/74/07/857197407.db2.gz YLHIRAZVJFWPKD-CAOSSQGBSA-N 2 0 359.536 0.778 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001228445627 857209826 /nfs/dbraw/zinc/20/98/26/857209826.db2.gz UDTQFCVYUYXKQQ-BZUAXINKSA-N 2 0 353.511 0.615 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229229867 857260274 /nfs/dbraw/zinc/26/02/74/857260274.db2.gz CRSAZTYENPLWEC-IAGOWNOFSA-N 2 0 356.511 0.498 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001229683232 857281495 /nfs/dbraw/zinc/28/14/95/857281495.db2.gz RRRMPNPYXNETPH-ARFHVFGLSA-N 2 0 359.536 0.780 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001229709259 857283541 /nfs/dbraw/zinc/28/35/41/857283541.db2.gz FVZHCPPLHKEQPR-HUUCEWRRSA-N 2 0 356.511 0.496 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCOCC ZINC001229860504 857290090 /nfs/dbraw/zinc/29/00/90/857290090.db2.gz VEWQEWBUGXIVSP-HZPDHXFCSA-N 2 0 356.511 0.498 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001229852763 857290395 /nfs/dbraw/zinc/29/03/95/857290395.db2.gz KVMDSYXDZWMLPR-HZPDHXFCSA-N 2 0 353.511 0.761 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC[C@H]1C[NH2+]CCO1)C2 ZINC001235274562 857421407 /nfs/dbraw/zinc/42/14/07/857421407.db2.gz OEGMAQBEPTYLLO-CFVMTHIKSA-N 2 0 365.396 0.382 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235273560 857421463 /nfs/dbraw/zinc/42/14/63/857421463.db2.gz LQKOKPYATWDLOS-GLQYFDAESA-N 2 0 365.396 0.728 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](Cc1nc3c(s1)C[NH2+]CC3)C2 ZINC001235334550 857422342 /nfs/dbraw/zinc/42/23/42/857422342.db2.gz NIMSNVXLEUQZKG-WLHTULFXSA-N 3 0 362.499 0.619 20 0 FCADRP COCCO[C@H]1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1Cc1cnn(C)c1 ZINC001235634390 857430157 /nfs/dbraw/zinc/43/01/57/857430157.db2.gz AXDLBLZRBVSORC-ULQDDVLXSA-N 2 0 352.479 0.793 20 0 FCADRP COc1cc(Cl)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1OC ZINC001235871352 857433560 /nfs/dbraw/zinc/43/35/60/857433560.db2.gz PSHRVFLEHIQJPM-UHFFFAOYSA-N 2 0 356.898 0.942 20 0 FCADRP Cc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1Br ZINC001235872931 857433575 /nfs/dbraw/zinc/43/35/75/857433575.db2.gz CDCGERWLHIFLLU-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP Cc1ncc(Br)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235873885 857433826 /nfs/dbraw/zinc/43/38/26/857433826.db2.gz FXKZDIVXCNLGHQ-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP COC(=O)c1cc(Cl)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235873674 857433831 /nfs/dbraw/zinc/43/38/31/857433831.db2.gz JOSNNCNOEITLEE-UHFFFAOYSA-N 2 0 354.882 0.711 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024947 857435522 /nfs/dbraw/zinc/43/55/22/857435522.db2.gz SSVICVLLLFWKGU-RPCDLPGOSA-N 3 0 357.445 0.808 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)cc1C ZINC001236311008 857438997 /nfs/dbraw/zinc/43/89/97/857438997.db2.gz DRLKACKKEOLYDT-UHFFFAOYSA-N 2 0 352.479 0.628 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c2cnc(Cl)cc12 ZINC001236311185 857439001 /nfs/dbraw/zinc/43/90/01/857439001.db2.gz HANWLVLWBSLXGW-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1F ZINC001236312348 857439798 /nfs/dbraw/zinc/43/97/98/857439798.db2.gz QTJMSYXVSUNNCR-UHFFFAOYSA-N 2 0 354.426 0.228 20 0 FCADRP C[NH+]1CCN(c2ccncc2NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001237565300 857454987 /nfs/dbraw/zinc/45/49/87/857454987.db2.gz INWAXFPDNZRFRB-UHFFFAOYSA-N 2 0 353.492 0.575 20 0 FCADRP COc1cc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)ccc1F ZINC001238242797 857464681 /nfs/dbraw/zinc/46/46/81/857464681.db2.gz RFHNIDIAYKGTKC-GFCCVEGCSA-N 2 0 357.451 0.987 20 0 FCADRP COC(=O)c1cncc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238242188 857465270 /nfs/dbraw/zinc/46/52/70/857465270.db2.gz NIVQBVHVCLZZPQ-CYBMUJFWSA-N 2 0 368.459 0.021 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001238813134 857480432 /nfs/dbraw/zinc/48/04/32/857480432.db2.gz BJHCADSMYBLVNJ-UHFFFAOYSA-N 2 0 352.504 0.665 20 0 FCADRP COc1ccc(CC2(CNS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001238824432 857481372 /nfs/dbraw/zinc/48/13/72/857481372.db2.gz GSLBNGAKAAMNGN-QGZVFWFLSA-N 2 0 367.515 0.889 20 0 FCADRP Cc1nnc(-c2cccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c2)o1 ZINC001238879864 857485537 /nfs/dbraw/zinc/48/55/37/857485537.db2.gz XQOPQBMKOWZOGK-UHFFFAOYSA-N 2 0 353.448 0.652 20 0 FCADRP CS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238879171 857485756 /nfs/dbraw/zinc/48/57/56/857485756.db2.gz IRCYXPLNXNOBMT-UHFFFAOYSA-N 2 0 363.505 0.087 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001239077651 857506728 /nfs/dbraw/zinc/50/67/28/857506728.db2.gz RIZSYCJKNWIKDB-UHFFFAOYSA-N 2 0 367.519 0.624 20 0 FCADRP COc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c(Br)c1 ZINC001239097100 857512855 /nfs/dbraw/zinc/51/28/55/857512855.db2.gz PAHKRSPZCDSDPV-UHFFFAOYSA-N 2 0 352.254 0.366 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001239097445 857513680 /nfs/dbraw/zinc/51/36/80/857513680.db2.gz SYGGWOBQEMDHRO-UHFFFAOYSA-N 2 0 357.661 0.406 20 0 FCADRP Cc1ccc(C)c(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131245 857517877 /nfs/dbraw/zinc/51/78/77/857517877.db2.gz KQZXVEVDEFDPQK-UHFFFAOYSA-N 2 0 356.492 0.108 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001239144960 857522268 /nfs/dbraw/zinc/52/22/68/857522268.db2.gz YNQDCWJPQQVEAT-QGZVFWFLSA-N 2 0 352.504 0.965 20 0 FCADRP C[C@@H](NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC001239299844 857526266 /nfs/dbraw/zinc/52/62/66/857526266.db2.gz PLDONTNMEQWIBF-CYBMUJFWSA-N 2 0 353.442 0.712 20 0 FCADRP [NH3+]CCNC(=S)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001239376788 857526657 /nfs/dbraw/zinc/52/66/57/857526657.db2.gz RWSZTXRUBVNJSI-GJZGRUSLSA-N 2 0 350.488 0.868 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNC(=S)Nc1ccc(N2CCOCC2)nc1 ZINC001239396450 857527891 /nfs/dbraw/zinc/52/78/91/857527891.db2.gz ZEBWOCIIVXRCRG-UHFFFAOYSA-N 2 0 366.535 0.923 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)Nc1c(F)cccc1F ZINC001239450102 857528468 /nfs/dbraw/zinc/52/84/68/857528468.db2.gz DMUSXSAUFNZFAC-UHFFFAOYSA-N 2 0 359.446 0.777 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245978210 857561502 /nfs/dbraw/zinc/56/15/02/857561502.db2.gz KPWYVAQNDXKDEM-VDMKFOLZSA-N 3 0 355.429 0.410 20 0 FCADRP COCCC1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001246000338 857563507 /nfs/dbraw/zinc/56/35/07/857563507.db2.gz ZNHPXMGZQXPIHI-DLBZAZTESA-N 2 0 357.445 0.944 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001246018439 857564108 /nfs/dbraw/zinc/56/41/08/857564108.db2.gz DLGUSDIERJRFDU-MJGOQNOKSA-N 2 0 352.475 0.791 20 0 FCADRP COC(=O)[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC001246051160 857567338 /nfs/dbraw/zinc/56/73/38/857567338.db2.gz AWUYVMIOBLCOKB-YHUYYLMFSA-N 2 0 357.401 0.018 20 0 FCADRP OC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H](O)c1ccc(Br)cc1 ZINC001246078376 857567857 /nfs/dbraw/zinc/56/78/57/857567857.db2.gz HRLULRJOWBGZTR-SOUVJXGZSA-N 2 0 370.291 0.527 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1 ZINC001246137643 857569534 /nfs/dbraw/zinc/56/95/34/857569534.db2.gz JQPIYNRVFZEOMM-WBVHZDCISA-N 2 0 352.523 0.865 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3COC4(C3)CC[NH2+]CC4)C[C@H](C1)[NH2+]2 ZINC001246123709 857569585 /nfs/dbraw/zinc/56/95/85/857569585.db2.gz AQWRCRMTPNTIMG-BFHKSVSOSA-N 3 0 351.491 0.807 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CN1)N1CCSC1 ZINC001246185675 857570510 /nfs/dbraw/zinc/57/05/10/857570510.db2.gz VIUDSJJQHVSRCH-JYJNAYRXSA-N 2 0 368.547 0.388 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)C[C@H](C1)[NH2+]2 ZINC001246158675 857570634 /nfs/dbraw/zinc/57/06/34/857570634.db2.gz GTQDCISTMUMBDN-NMBSFQLMSA-N 2 0 351.491 0.949 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CN1)N1CCSC1 ZINC001246259120 857572177 /nfs/dbraw/zinc/57/21/77/857572177.db2.gz ZGDRTCMEUNUWOF-KKUMJFAQSA-N 2 0 354.520 0.141 20 0 FCADRP CCOC(=O)C1(C[NH2+][C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]CC1 ZINC001246315478 857574000 /nfs/dbraw/zinc/57/40/00/857574000.db2.gz ILZMAPXPJYMCBB-KGLIPLIRSA-N 2 0 355.479 0.581 20 0 FCADRP O=C([C@@H]1C[C@H](NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)C[NH2+]1)N1CCSC1 ZINC001246338275 857574027 /nfs/dbraw/zinc/57/40/27/857574027.db2.gz FAAPNLQBYKMTDY-LUKYLMHMSA-N 2 0 361.515 0.585 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@H]([C@@H]2CCC[NH2+]C2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246486408 857581424 /nfs/dbraw/zinc/58/14/24/857581424.db2.gz JEDGRXLOKXWNSV-MROQNXINSA-N 2 0 366.453 0.770 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CO1 ZINC001246518745 857583646 /nfs/dbraw/zinc/58/36/46/857583646.db2.gz ISCMXEDSFLWDOV-PMPSAXMXSA-N 2 0 355.479 0.807 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CCC(OC3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246665931 857587893 /nfs/dbraw/zinc/58/78/93/857587893.db2.gz VGYOJSMNPSCLLN-PBHICJAKSA-N 2 0 368.547 0.483 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC(F)(F)CC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246651898 857588316 /nfs/dbraw/zinc/58/83/16/857588316.db2.gz GMHXWKRUNPAOHW-STQMWFEESA-N 2 0 360.474 0.713 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683354 857589844 /nfs/dbraw/zinc/58/98/44/857589844.db2.gz SBAVTUHCLAKGJI-KRXQYRFLSA-N 2 0 353.463 0.145 20 0 FCADRP C(O[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246713244 857593749 /nfs/dbraw/zinc/59/37/49/857593749.db2.gz DRPSIXUAWLCORX-WNRNVDISSA-N 2 0 351.491 0.223 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736221 857595263 /nfs/dbraw/zinc/59/52/63/857595263.db2.gz KFGVIRQORGSYNU-ZMMAXQRCSA-N 2 0 351.491 0.714 20 0 FCADRP COCCN1CC2(CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)[C@H](COC)C1=O ZINC001246747707 857597491 /nfs/dbraw/zinc/59/74/91/857597491.db2.gz MNMQSJANOJUXIP-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)C2 ZINC001246823872 857601968 /nfs/dbraw/zinc/60/19/68/857601968.db2.gz XBXKBAFXLBJAPQ-BJWYYQGGSA-N 2 0 353.511 0.223 20 0 FCADRP CCOC(=O)[C@]12C[N@@H+]([C@H](C)CC(=O)N3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001246856484 857603218 /nfs/dbraw/zinc/60/32/18/857603218.db2.gz VFLIEKYIBQYPOO-IIDMSEBBSA-N 2 0 353.463 0.098 20 0 FCADRP Brc1cnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246882075 857604548 /nfs/dbraw/zinc/60/45/48/857604548.db2.gz KTGCHYSCSXUBFI-ZDUSSCGKSA-N 2 0 367.295 0.455 20 0 FCADRP COC(=O)[C@H](N)[C@@H]1CCC[N@@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926497 857606588 /nfs/dbraw/zinc/60/65/88/857606588.db2.gz TXZJNIJBIVRUQP-KFAQONHGSA-N 2 0 353.463 0.271 20 0 FCADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940753 857606809 /nfs/dbraw/zinc/60/68/09/857606809.db2.gz VAUAQBZMLHLHFG-DOTOQJQBSA-N 3 0 350.507 0.430 20 0 FCADRP O=C1N(CC(F)(F)F)CCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246968904 857607979 /nfs/dbraw/zinc/60/79/79/857607979.db2.gz IIXAHTHVPWAGDV-ZDUSSCGKSA-N 2 0 360.424 0.957 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CCN1 ZINC001246993041 857608483 /nfs/dbraw/zinc/60/84/83/857608483.db2.gz JVEZMGHQNVBPST-MSOLQXFVSA-N 2 0 352.523 0.818 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CN1 ZINC001246995288 857608734 /nfs/dbraw/zinc/60/87/34/857608734.db2.gz STJHCOZUOSOIPF-MSOLQXFVSA-N 2 0 352.523 0.818 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CN1 ZINC001246985901 857608939 /nfs/dbraw/zinc/60/89/39/857608939.db2.gz AQWUJSKHTKUVLZ-IEBWSBKVSA-N 2 0 352.523 0.818 20 0 FCADRP COC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001249836713 857652136 /nfs/dbraw/zinc/65/21/36/857652136.db2.gz AJJZEKZRYMRNGW-AWEZNQCLSA-N 2 0 356.536 0.772 20 0 FCADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1)CN1CCOCC1 ZINC001251043182 857690005 /nfs/dbraw/zinc/69/00/05/857690005.db2.gz MRMNBPNPBSVMIF-LJQANCHMSA-N 2 0 355.523 0.408 20 0 FCADRP C[NH+](C)CCN1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251369995 857720344 /nfs/dbraw/zinc/72/03/44/857720344.db2.gz WDHKUBUHBHBRCF-GOSISDBHSA-N 2 0 356.511 0.538 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251365587 857720360 /nfs/dbraw/zinc/72/03/60/857720360.db2.gz KKESUZPVEGXQNS-SFHVURJKSA-N 2 0 356.511 0.585 20 0 FCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252024368 857776249 /nfs/dbraw/zinc/77/62/49/857776249.db2.gz NACFRHIXAYXIIN-KZNAEPCWSA-N 2 0 353.507 0.791 20 0 FCADRP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416379 857798889 /nfs/dbraw/zinc/79/88/89/857798889.db2.gz XDPXTVMCZMWHRN-GOEBONIOSA-N 2 0 352.431 0.869 20 0 FCADRP COC(=O)[C@H](O)C[NH2+]CCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252436468 857807571 /nfs/dbraw/zinc/80/75/71/857807571.db2.gz VVILXEBKHPTLOH-CQSZACIVSA-N 2 0 359.467 0.443 20 0 FCADRP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC3(O)CCOCC3)CC2)CC1 ZINC001252961219 857852138 /nfs/dbraw/zinc/85/21/38/857852138.db2.gz HUUVJOCCDUOSAT-UHFFFAOYSA-N 2 0 353.507 0.793 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185133 857870419 /nfs/dbraw/zinc/87/04/19/857870419.db2.gz CTYGLQDISCENHE-KRWDZBQOSA-N 2 0 354.539 0.708 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001253187521 857870724 /nfs/dbraw/zinc/87/07/24/857870724.db2.gz YKVRKSPLDMQRIA-YQVWRLOYSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CNCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001253213531 857872749 /nfs/dbraw/zinc/87/27/49/857872749.db2.gz KZMHLUBJFADMIE-KRWDZBQOSA-N 2 0 370.519 0.109 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CNc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001253399492 857885867 /nfs/dbraw/zinc/88/58/67/857885867.db2.gz IAHSCXABUUZFIF-SFHVURJKSA-N 2 0 350.507 0.962 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001254169998 857946183 /nfs/dbraw/zinc/94/61/83/857946183.db2.gz YSQAQRPPZWSAPF-AWEZNQCLSA-N 2 0 369.487 0.486 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254296865 857952165 /nfs/dbraw/zinc/95/21/65/857952165.db2.gz XDFVXOMVLKPBOE-CYBMUJFWSA-N 2 0 360.459 0.914 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001254332416 857960282 /nfs/dbraw/zinc/96/02/82/857960282.db2.gz KARGBYDVDIUOPI-BRWVUGGUSA-N 2 0 369.531 0.581 20 0 FCADRP C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001254515666 857975804 /nfs/dbraw/zinc/97/58/04/857975804.db2.gz ANQUKALJBNDPKW-HNNXBMFYSA-N 2 0 352.504 0.859 20 0 FCADRP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1 ZINC001254519902 857977046 /nfs/dbraw/zinc/97/70/46/857977046.db2.gz BILLJKBJZGJHAV-INIZCTEOSA-N 2 0 359.536 0.845 20 0 FCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CCC[N@H+](C)C2)S(C)(=O)=O)cn1 ZINC001255481636 858013440 /nfs/dbraw/zinc/01/34/40/858013440.db2.gz BTEATLVRQBOZPY-OWCLPIDISA-N 2 0 355.508 0.049 20 0 FCADRP CCOC(=O)N1CC[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])C1 ZINC001256016722 858047640 /nfs/dbraw/zinc/04/76/40/858047640.db2.gz KDVKGNIOCLODBK-MRXNPFEDSA-N 2 0 361.483 0.596 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CCN(C2CC2)CC1 ZINC001256071213 858052144 /nfs/dbraw/zinc/05/21/44/858052144.db2.gz RVXMVEHXSGZLCJ-UHFFFAOYSA-N 2 0 359.511 0.228 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001256792906 858099121 /nfs/dbraw/zinc/09/91/21/858099121.db2.gz VMHUYUKUQBAVOH-IRXDYDNUSA-N 2 0 352.523 0.881 20 0 FCADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257724583 858157266 /nfs/dbraw/zinc/15/72/66/858157266.db2.gz QFIZVKKDRQTANA-BZUAXINKSA-N 2 0 357.495 0.720 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001257924116 858165574 /nfs/dbraw/zinc/16/55/74/858165574.db2.gz UAWWHLASILXALM-OAHLLOKOSA-N 2 0 365.540 0.345 20 0 FCADRP C[C@H](CC1CC1)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001258453661 858201287 /nfs/dbraw/zinc/20/12/87/858201287.db2.gz CEDBNXHBQRFPMN-QGZVFWFLSA-N 2 0 362.511 0.806 20 0 FCADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)c1 ZINC001258955873 858212340 /nfs/dbraw/zinc/21/23/40/858212340.db2.gz AOQSNKNATOUNGM-UHFFFAOYSA-N 2 0 359.492 0.818 20 0 FCADRP CCn1cc(S(=O)(=O)N2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC001259836753 858293784 /nfs/dbraw/zinc/29/37/84/858293784.db2.gz LEVYOMGVWQACRQ-UHFFFAOYSA-N 2 0 355.508 0.551 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001261502540 858570313 /nfs/dbraw/zinc/57/03/13/858570313.db2.gz PQQSNGSPAXDROL-OAHLLOKOSA-N 2 0 357.520 0.344 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001261502539 858570322 /nfs/dbraw/zinc/57/03/22/858570322.db2.gz PQQSNGSPAXDROL-HNNXBMFYSA-N 2 0 357.520 0.344 20 0 FCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046563 858765591 /nfs/dbraw/zinc/76/55/91/858765591.db2.gz SSSVERNJICTCAE-QZTJIDSGSA-N 2 0 352.523 0.679 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001262063648 858769331 /nfs/dbraw/zinc/76/93/31/858769331.db2.gz FKBRLENRSRDOLK-ZBFHGGJFSA-N 2 0 354.495 0.378 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)CC[NH+]3CCCC3)C[C@@]2(F)C1=O ZINC001271061291 859890887 /nfs/dbraw/zinc/89/08/87/859890887.db2.gz KXGFJHWFVIBEHI-IAGOWNOFSA-N 2 0 358.433 0.135 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC001271062607 859891806 /nfs/dbraw/zinc/89/18/06/859891806.db2.gz YUGWQTCMGBJSII-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001271216238 859919026 /nfs/dbraw/zinc/91/90/26/859919026.db2.gz ANECLGUFTYASDJ-UHFFFAOYSA-N 2 0 350.507 0.907 20 0 FCADRP Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](CO)n1ccnc1)C2 ZINC001272468353 860161053 /nfs/dbraw/zinc/16/10/53/860161053.db2.gz YMHKUDRVLGTVOG-ILXRZTDVSA-N 2 0 361.471 0.914 20 0 FCADRP CCC[NH+](CCC)CC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273414163 860482209 /nfs/dbraw/zinc/48/22/09/860482209.db2.gz ZKIZHAJVJOSCDS-UHFFFAOYSA-N 2 0 354.495 0.110 20 0 FCADRP CC(C)NC(=O)NCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001273514557 860515613 /nfs/dbraw/zinc/51/56/13/860515613.db2.gz IJNFPQMLIRQRMX-HZPDHXFCSA-N 2 0 355.527 0.815 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666123 860561441 /nfs/dbraw/zinc/56/14/41/860561441.db2.gz HAEITOVHMFNHBR-HNNXBMFYSA-N 2 0 368.547 0.483 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273667013 860562753 /nfs/dbraw/zinc/56/27/53/860562753.db2.gz ZGVQUBYESLPTEG-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)[C@@H]3CCC[N@H+](C)C3)(C1)CCC2 ZINC001273834147 860613366 /nfs/dbraw/zinc/61/33/66/860613366.db2.gz BOFKAMXMVSGUON-LZQZEXGQSA-N 2 0 350.507 0.968 20 0 FCADRP CN1CC[NH+](CCCC(=O)N2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001274516628 860767719 /nfs/dbraw/zinc/76/77/19/860767719.db2.gz WCCYCNBUYAXJNN-MSOLQXFVSA-N 2 0 351.539 0.108 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343509 861039328 /nfs/dbraw/zinc/03/93/28/861039328.db2.gz ODLLXVDXRLAVGT-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343511 861040113 /nfs/dbraw/zinc/04/01/13/861040113.db2.gz ODLLXVDXRLAVGT-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnc(N)s3)C2)C1=O ZINC001275732824 861174144 /nfs/dbraw/zinc/17/41/44/861174144.db2.gz JAMHVTYXSUGHED-MRXNPFEDSA-N 2 0 351.476 0.628 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738455 861181984 /nfs/dbraw/zinc/18/19/84/861181984.db2.gz ZPBXCDSJRXSQAP-KRWDZBQOSA-N 2 0 357.520 0.345 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=S)NCC[NH+](C)C)C[C@H]2CC1 ZINC001279975014 863160705 /nfs/dbraw/zinc/16/07/05/863160705.db2.gz ATZODNYILNQWQU-GASCZTMLSA-N 2 0 355.552 0.155 20 0 FCADRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280019888 863191231 /nfs/dbraw/zinc/19/12/31/863191231.db2.gz BBPGZQORLGZSAC-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP COCCOC[N@@H+]1CCCC2(CCN([C@H](COC)C(=O)OC)CC2)C1 ZINC001280052299 863220282 /nfs/dbraw/zinc/22/02/82/863220282.db2.gz IGIKULRFPALWDK-MRXNPFEDSA-N 2 0 358.479 0.973 20 0 FCADRP COC(C)(C)C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CCN3CC4)[C@H]2C1 ZINC001280056631 863227321 /nfs/dbraw/zinc/22/73/21/863227321.db2.gz SNTBASMZVFZOON-ULQDDVLXSA-N 2 0 351.491 0.807 20 0 FCADRP O=C(NCCn1ccnn1)[C@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280136813 863287615 /nfs/dbraw/zinc/28/76/15/863287615.db2.gz HDJHQSHJVYZBAD-OAHLLOKOSA-N 2 0 364.519 0.201 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@H](CC(=O)N3CCC([NH+](C)C)CC3)O[C@H]2C1 ZINC001280218201 863343400 /nfs/dbraw/zinc/34/34/00/863343400.db2.gz GYEQIQIHJUBIDY-NXHRZFHOSA-N 2 0 352.523 0.580 20 0 FCADRP C[NH+](C)CCN1CCN(CC[NH+]2CCCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280223040 863346255 /nfs/dbraw/zinc/34/62/55/863346255.db2.gz HGLLFFUIDRECRO-LJQANCHMSA-N 2 0 351.539 0.300 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001289847349 865295744 /nfs/dbraw/zinc/29/57/44/865295744.db2.gz XPTKNSWFLCNIFS-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nn1 ZINC001349273307 866286207 /nfs/dbraw/zinc/28/62/07/866286207.db2.gz QFRANZLATLNYSF-GDBMZVCRSA-N 2 0 350.467 0.376 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC001349417595 866336206 /nfs/dbraw/zinc/33/62/06/866336206.db2.gz HGNDQDVTHHHJCU-UHFFFAOYSA-N 2 0 353.444 0.274 20 0 FCADRP C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCN1C ZINC001349466301 866348291 /nfs/dbraw/zinc/34/82/91/866348291.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 0 355.527 0.109 20 0 FCADRP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC001350205509 866530885 /nfs/dbraw/zinc/53/08/85/866530885.db2.gz XOJFSQFHNQQZRX-WTXIUTQJSA-N 2 0 351.495 0.463 20 0 FCADRP C[C@H](c1ccncc1)N1CCC(NS(=O)(=O)N2CCN(C)CC2)CC1 ZINC001309330455 866780692 /nfs/dbraw/zinc/78/06/92/866780692.db2.gz GUXIXTVHWSHVJJ-OAHLLOKOSA-N 2 0 367.519 0.689 20 0 FCADRP C/C(=C\C(=O)NCC[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@H](C)C1 ZINC001351512858 866888144 /nfs/dbraw/zinc/88/81/44/866888144.db2.gz OVMAWEKUBZUEBZ-KVEHIFQYSA-N 2 0 350.507 0.849 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1=O ZINC001352034005 867018970 /nfs/dbraw/zinc/01/89/70/867018970.db2.gz CULDZOABGDJIAH-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP CSCC[C@H]([NH3+])Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC001352791691 867255488 /nfs/dbraw/zinc/25/54/88/867255488.db2.gz ZYUZDWFVFFMQET-LBPRGKRZSA-N 2 0 355.508 0.788 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC001353150565 867361224 /nfs/dbraw/zinc/36/12/24/867361224.db2.gz UGLVLGFWGANHHF-CABCVRRESA-N 2 0 360.449 0.144 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC001353150570 867361511 /nfs/dbraw/zinc/36/15/11/867361511.db2.gz UGLVLGFWGANHHF-HUUCEWRRSA-N 2 0 360.449 0.144 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001353334632 867399530 /nfs/dbraw/zinc/39/95/30/867399530.db2.gz IYVULPBCCAYUOT-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458407 867427674 /nfs/dbraw/zinc/42/76/74/867427674.db2.gz REOMPSFHCSWAFJ-HZPDHXFCSA-N 2 0 354.495 0.291 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001353583058 867451918 /nfs/dbraw/zinc/45/19/18/867451918.db2.gz QPLGXCNUSAQTRC-UHFFFAOYSA-N 2 0 351.495 0.419 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316755044 867453396 /nfs/dbraw/zinc/45/33/96/867453396.db2.gz CIGXTQFXKDQMDO-CVEARBPZSA-N 2 0 350.507 0.635 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC001353677298 867471360 /nfs/dbraw/zinc/47/13/60/867471360.db2.gz GQBUAKQBIDUXQY-ZJIFWQFVSA-N 2 0 357.520 0.484 20 0 FCADRP C[C@H]1CC[NH+](CCNC(=O)CSCC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC001319234473 867863206 /nfs/dbraw/zinc/86/32/06/867863206.db2.gz LGPXDSIAIIHYHR-HOTGVXAUSA-N 2 0 370.563 0.636 20 0 FCADRP C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1C[N@H+](C)CCN1C ZINC001356254199 867964418 /nfs/dbraw/zinc/96/44/18/867964418.db2.gz SDLHVCFPOQHIDS-SWLSCSKDSA-N 2 0 351.520 0.974 20 0 FCADRP CCN(C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473331 868008577 /nfs/dbraw/zinc/00/85/77/868008577.db2.gz RCOIDSDKSVPLSR-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001357668149 868144767 /nfs/dbraw/zinc/14/47/67/868144767.db2.gz LCEQSQMZZKKFBM-ZDUSSCGKSA-N 2 0 365.444 0.854 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546642 868511031 /nfs/dbraw/zinc/51/10/31/868511031.db2.gz HNEVHHDLXSHDCI-YOEHRIQHSA-N 2 0 354.520 0.237 20 0 FCADRP OC[C@H]1C[NH+](CCOCC[N@@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC001323999217 869442506 /nfs/dbraw/zinc/44/25/06/869442506.db2.gz LJZZUSADMJBHLT-ZIAGYGMSSA-N 2 0 372.403 0.902 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC001325861295 870065351 /nfs/dbraw/zinc/06/53/51/870065351.db2.gz DESGIISDXGTWGP-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326035500 870148678 /nfs/dbraw/zinc/14/86/78/870148678.db2.gz KBZUHEYIMJMZFZ-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001343453617 870436739 /nfs/dbraw/zinc/43/67/39/870436739.db2.gz QMVRHXLOAQSDDL-HIFRSBDPSA-N 2 0 352.454 0.855 20 0 FCADRP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@@H]1CCC[NH2+]C1 ZINC001343715972 870568454 /nfs/dbraw/zinc/56/84/54/870568454.db2.gz GNYOGKIOSFPQEP-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC001327585417 870958086 /nfs/dbraw/zinc/95/80/86/870958086.db2.gz WENXGEBPBNWDNQ-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC001344784716 871026195 /nfs/dbraw/zinc/02/61/95/871026195.db2.gz PPFUSMRWHSGJIS-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001346047686 871620750 /nfs/dbraw/zinc/62/07/50/871620750.db2.gz SIRFRJCERMVEIA-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001329316787 871950753 /nfs/dbraw/zinc/95/07/53/871950753.db2.gz PZFGTNZEOFRKCM-JKSUJKDBSA-N 2 0 360.524 0.133 20 0 FCADRP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329491455 872065697 /nfs/dbraw/zinc/06/56/97/872065697.db2.gz SFKUWFQJVOUWBO-LSDHHAIUSA-N 2 0 357.520 0.486 20 0 FCADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663070 872757223 /nfs/dbraw/zinc/75/72/23/872757223.db2.gz GPEJFTFCBJFQIF-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001330866753 872852318 /nfs/dbraw/zinc/85/23/18/872852318.db2.gz KJLDOIDBMOWJRC-SJORKVTESA-N 2 0 367.515 0.429 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001331194656 873002703 /nfs/dbraw/zinc/00/27/03/873002703.db2.gz CKRPUJWLONGDHQ-QAQDUYKDSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001331473755 873116324 /nfs/dbraw/zinc/11/63/24/873116324.db2.gz GQZDLIILQKHNRX-YESZJQIVSA-N 2 0 350.507 0.966 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001333161820 873829361 /nfs/dbraw/zinc/82/93/61/873829361.db2.gz SWNONFJODDUINA-KRWDZBQOSA-N 2 0 353.511 0.175 20 0 FCADRP CN1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821586010 945725316 /nfs/dbraw/zinc/72/53/16/945725316.db2.gz FTEZFKWIRUIUNI-MRXNPFEDSA-N 2 0 373.461 0.088 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917771 948828616 /nfs/dbraw/zinc/82/86/16/948828616.db2.gz AZQQSYOZMJJADJ-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574926163 948986186 /nfs/dbraw/zinc/98/61/86/948986186.db2.gz JRIFJENWIIYPDB-LBPRGKRZSA-N 2 0 361.425 0.696 20 0 FCADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574692935 949044881 /nfs/dbraw/zinc/04/48/81/949044881.db2.gz DMDCCPCIWXMZEZ-SWLSCSKDSA-N 2 0 360.466 0.529 20 0 FCADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264205 949422053 /nfs/dbraw/zinc/42/20/53/949422053.db2.gz MWRGDUYSARDFMJ-BBRMVZONSA-N 2 0 369.473 0.755 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575271455 949619098 /nfs/dbraw/zinc/61/90/98/949619098.db2.gz KLNFTWNOPRDSLK-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570973972 950398863 /nfs/dbraw/zinc/39/88/63/950398863.db2.gz IVHMFOKLPKMTAM-CVEARBPZSA-N 2 0 355.446 0.651 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576199190 950419146 /nfs/dbraw/zinc/41/91/46/950419146.db2.gz XCFVKFZXSZSMFD-CQSZACIVSA-N 2 0 372.477 0.888 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199267 950419190 /nfs/dbraw/zinc/41/91/90/950419190.db2.gz YATITKUTTGKQOG-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204763 950474263 /nfs/dbraw/zinc/47/42/63/950474263.db2.gz BYUAGJIQCVEQQX-CZUORRHYSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205313 950506057 /nfs/dbraw/zinc/50/60/57/950506057.db2.gz XBUASUBLEQMPJU-GDBMZVCRSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206260 950568407 /nfs/dbraw/zinc/56/84/07/950568407.db2.gz VVEZZJRWZHVHHS-ZIAGYGMSSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208705 950617118 /nfs/dbraw/zinc/61/71/18/950617118.db2.gz TZKCEKGVDRUELL-MELADBBJSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575100148 951841298 /nfs/dbraw/zinc/84/12/98/951841298.db2.gz RAXUOVYAVQKBGD-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575107308 951916683 /nfs/dbraw/zinc/91/66/83/951916683.db2.gz BZADYUKUPXBSHV-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575109559 951931761 /nfs/dbraw/zinc/93/17/61/951931761.db2.gz SMSKOZRZGKHHIU-BBRMVZONSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575109746 951933304 /nfs/dbraw/zinc/93/33/04/951933304.db2.gz USUUYJDRUONQGH-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575109745 951933805 /nfs/dbraw/zinc/93/38/05/951933805.db2.gz USUUYJDRUONQGH-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113770 951944882 /nfs/dbraw/zinc/94/48/82/951944882.db2.gz FXCYNMVULDIFAO-ZFWWWQNUSA-N 2 0 357.462 0.660 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063197 951964996 /nfs/dbraw/zinc/96/49/96/951964996.db2.gz JSYOOBJCKFHQQQ-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077495 952119553 /nfs/dbraw/zinc/11/95/53/952119553.db2.gz BWZFLUOEMGCIGH-ZFWWWQNUSA-N 2 0 370.461 0.749 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575147791 952200993 /nfs/dbraw/zinc/20/09/93/952200993.db2.gz WDRATCWXXZILQY-LBPRGKRZSA-N 2 0 358.450 0.427 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105101 952388056 /nfs/dbraw/zinc/38/80/56/952388056.db2.gz HQXREFNTBOOPQQ-GOEBONIOSA-N 2 0 373.436 0.791 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C[NH+](C)C ZINC000293311677 214164212 /nfs/dbraw/zinc/16/42/12/214164212.db2.gz XGDISLKBNZAZOZ-AWEZNQCLSA-N 2 0 350.463 0.879 20 0 FCADRP C[C@H](O)C[NH+](CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000295272024 214287757 /nfs/dbraw/zinc/28/77/57/214287757.db2.gz ZHEBSXJRHFVXDC-GJZGRUSLSA-N 2 0 374.909 0.690 20 0 FCADRP C[C@@H](O)C[NH+](CCO)Cc1cc(C[N@@H+](CCO)C[C@H](C)O)ccc1F ZINC000295256985 214288455 /nfs/dbraw/zinc/28/84/55/214288455.db2.gz XOPYMAONCGVCIQ-LSDHHAIUSA-N 2 0 358.454 0.176 20 0 FCADRP C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000296048815 214328102 /nfs/dbraw/zinc/32/81/02/214328102.db2.gz UYCFLSPLWILHBM-KBRIMQKVSA-N 2 0 371.503 0.327 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cn2)C1 ZINC000291509065 214039596 /nfs/dbraw/zinc/03/95/96/214039596.db2.gz QDLYGVRYPOWQRP-CABCVRRESA-N 2 0 359.474 0.445 20 0 FCADRP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000291474042 214036916 /nfs/dbraw/zinc/03/69/16/214036916.db2.gz POMGRRJLHJZAPW-OKZBNKHCSA-N 2 0 366.531 0.883 20 0 FCADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C)C1=O ZINC000265804187 210225260 /nfs/dbraw/zinc/22/52/60/210225260.db2.gz ZLTWDUMVGZMHHI-KRWDZBQOSA-N 2 0 374.489 0.466 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000410779294 529798939 /nfs/dbraw/zinc/79/89/39/529798939.db2.gz IQKHBVASEDLQJO-FGTMMUONSA-N 2 0 362.518 0.873 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410431414 529861130 /nfs/dbraw/zinc/86/11/30/529861130.db2.gz HEMZLIWMDDSYSH-KRWDZBQOSA-N 2 0 350.507 0.731 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410557888 529886425 /nfs/dbraw/zinc/88/64/25/529886425.db2.gz OZVHWURLDQMRPL-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCCC[NH+]2CCCC2)(N2CCOCC2)CC1 ZINC000413068674 530049265 /nfs/dbraw/zinc/04/92/65/530049265.db2.gz YBQSFSSMMAUVTJ-UHFFFAOYSA-N 2 0 367.538 0.568 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000930743594 674054390 /nfs/dbraw/zinc/05/43/90/674054390.db2.gz PVAXPUZRQVUJSV-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[NH+](C)C1 ZINC000331700983 215036269 /nfs/dbraw/zinc/03/62/69/215036269.db2.gz XYKDXMDKUBEMFZ-LUKYLMHMSA-N 2 0 366.506 0.107 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000331727520 215040429 /nfs/dbraw/zinc/04/04/29/215040429.db2.gz YMMDXBGQXBPMJH-YVSFHVDLSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000331770817 215045110 /nfs/dbraw/zinc/04/51/10/215045110.db2.gz IDVOGNKJVHAVFZ-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000331855553 215056438 /nfs/dbraw/zinc/05/64/38/215056438.db2.gz DPQQUNBGCGMSHR-HUUCEWRRSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000331891006 215064174 /nfs/dbraw/zinc/06/41/74/215064174.db2.gz GNTZJMPUDFRTGM-TWMKSMIVSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331910130 215066635 /nfs/dbraw/zinc/06/66/35/215066635.db2.gz HXZISMPDDOORCO-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000332013776 215078968 /nfs/dbraw/zinc/07/89/68/215078968.db2.gz UETPFKNCDRZSAQ-RDJZCZTQSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC[C@H]21 ZINC000332059763 215084393 /nfs/dbraw/zinc/08/43/93/215084393.db2.gz XGBSKAMWKMQWRX-IXDOHACOSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000332076620 215087893 /nfs/dbraw/zinc/08/78/93/215087893.db2.gz ZEUDVFAAYIOJFV-WBVHZDCISA-N 2 0 350.507 0.776 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000332212868 215110522 /nfs/dbraw/zinc/11/05/22/215110522.db2.gz VKQCTHNUFCRONM-MRXNPFEDSA-N 2 0 350.507 0.908 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000332297800 215124831 /nfs/dbraw/zinc/12/48/31/215124831.db2.gz FMMCZTOCFAEQAP-AEGPPILISA-N 2 0 350.507 0.998 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334819 215132448 /nfs/dbraw/zinc/13/24/48/215132448.db2.gz VNXJZVYKCULIQX-DZJNRPSUSA-N 2 0 358.486 0.738 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C[NH3+] ZINC000332446631 215153648 /nfs/dbraw/zinc/15/36/48/215153648.db2.gz DXQUUPRBHPSDCY-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332519151 215165922 /nfs/dbraw/zinc/16/59/22/215165922.db2.gz JJGWAANBVLJSDO-RDJZCZTQSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000332509711 215163305 /nfs/dbraw/zinc/16/33/05/215163305.db2.gz YXDNQGHTCOLXQS-IKGGRYGDSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[C@@H]1[NH3+] ZINC000332521232 215166509 /nfs/dbraw/zinc/16/65/09/215166509.db2.gz ACEVWASPSRQGQC-WBVHZDCISA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000332552728 215178772 /nfs/dbraw/zinc/17/87/72/215178772.db2.gz QGIUFXSWQIFFHQ-OAGGEKHMSA-N 2 0 366.506 0.141 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@]3(CCO[C@H]3C)C2)C1 ZINC000332932512 215219250 /nfs/dbraw/zinc/21/92/50/215219250.db2.gz IIXQTDDFXJASCX-SCTDSRPQSA-N 2 0 369.506 0.339 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333669707 215308256 /nfs/dbraw/zinc/30/82/56/215308256.db2.gz MWQRDVKGKASGDA-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C1 ZINC000333707846 215309988 /nfs/dbraw/zinc/30/99/88/215309988.db2.gz RVAWEJPVZLBWOX-ABHNRTSZSA-N 2 0 367.538 0.693 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000333723795 215313960 /nfs/dbraw/zinc/31/39/60/215313960.db2.gz VBWFQVWNCFZUOI-CQSZACIVSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333767769 215317405 /nfs/dbraw/zinc/31/74/05/215317405.db2.gz BNALVOHFPHABSU-KURKYZTESA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000333819348 215321872 /nfs/dbraw/zinc/32/18/72/215321872.db2.gz KPXJXUOONFETBQ-SFHVURJKSA-N 2 0 367.538 0.565 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000360573848 215364814 /nfs/dbraw/zinc/36/48/14/215364814.db2.gz ULJQZWRYNDXJFS-HUUCEWRRSA-N 2 0 353.467 0.584 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000360573846 215365067 /nfs/dbraw/zinc/36/50/67/215365067.db2.gz ULJQZWRYNDXJFS-CABCVRRESA-N 2 0 353.467 0.584 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013894 215378822 /nfs/dbraw/zinc/37/88/22/215378822.db2.gz WQTVKSRDDBJOIE-SJORKVTESA-N 2 0 355.527 0.422 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285197599 213300593 /nfs/dbraw/zinc/30/05/93/213300593.db2.gz VPXUUSCRXCTMFY-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)Cc2ccccc2C1 ZINC000285092324 213281571 /nfs/dbraw/zinc/28/15/71/213281571.db2.gz PPLBLMAYIAWVTQ-UHFFFAOYSA-N 2 0 358.486 0.412 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000284824437 213229207 /nfs/dbraw/zinc/22/92/07/213229207.db2.gz MGUXIWSOWUPUFG-UHFFFAOYSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCn2ccnc2)C[C@H](C)O1 ZINC000284186220 213093223 /nfs/dbraw/zinc/09/32/23/213093223.db2.gz ZYFUFUFKPHGOIV-XHSDSOJGSA-N 2 0 363.462 0.100 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000283777423 213007381 /nfs/dbraw/zinc/00/73/81/213007381.db2.gz SHZSGYIJCUVBLU-UHFFFAOYSA-N 2 0 364.490 0.701 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(C3CC3)CCO2)ccc1C[NH+](C)C ZINC000411548533 237006144 /nfs/dbraw/zinc/00/61/44/237006144.db2.gz DZKABJGLVZZTHS-GOSISDBHSA-N 2 0 374.485 0.975 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764497 216026975 /nfs/dbraw/zinc/02/69/75/216026975.db2.gz WAZXMCNXHDCORE-RTBURBONSA-N 2 0 361.486 0.631 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413808310 237382175 /nfs/dbraw/zinc/38/21/75/237382175.db2.gz HRHBQDZQUWDNKO-KRWDZBQOSA-N 2 0 353.507 0.985 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367186845 216088917 /nfs/dbraw/zinc/08/89/17/216088917.db2.gz PZDFPLHMJMFMEB-ZWKOTPCHSA-N 2 0 369.554 0.622 20 0 FCADRP C[NH2+]CCC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000261997706 209508253 /nfs/dbraw/zinc/50/82/53/209508253.db2.gz ONLKSMLUYKXEHR-UHFFFAOYSA-N 2 0 360.506 0.837 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000261907949 209495792 /nfs/dbraw/zinc/49/57/92/209495792.db2.gz INQGYEZEJLVLHZ-JLJPHGGASA-N 2 0 364.465 0.868 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000246449648 209388028 /nfs/dbraw/zinc/38/80/28/209388028.db2.gz OLRQIVDOHXXCJD-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000246450158 209386219 /nfs/dbraw/zinc/38/62/19/209386219.db2.gz OQMHGXROJLBBME-JFIYKMOQSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237909221 209360807 /nfs/dbraw/zinc/36/08/07/209360807.db2.gz MYPHIENRBCIMHI-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000237913281 209360387 /nfs/dbraw/zinc/36/03/87/209360387.db2.gz MVKHTFALXUXOGF-QZTJIDSGSA-N 2 0 374.485 0.201 20 0 FCADRP C[C@H]1C[NH+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237607771 209355876 /nfs/dbraw/zinc/35/58/76/209355876.db2.gz LTBZINUUVOEIIM-GJZGRUSLSA-N 2 0 364.494 0.822 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1=O ZINC000236832136 209344475 /nfs/dbraw/zinc/34/44/75/209344475.db2.gz MIHMTKQMTQCBLF-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1CC(C)(C)O ZINC000368704757 216284821 /nfs/dbraw/zinc/28/48/21/216284821.db2.gz UNBDIPBXQRHAFG-BZUAXINKSA-N 2 0 354.495 0.336 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368992162 216329613 /nfs/dbraw/zinc/32/96/13/216329613.db2.gz MDGITJPZOZXKGZ-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036872 216335773 /nfs/dbraw/zinc/33/57/73/216335773.db2.gz RTXRWNMEUNHEDJ-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036874 216336625 /nfs/dbraw/zinc/33/66/25/216336625.db2.gz RTXRWNMEUNHEDJ-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369392307 216393716 /nfs/dbraw/zinc/39/37/16/216393716.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000189562864 209255946 /nfs/dbraw/zinc/25/59/46/209255946.db2.gz XDGBEVNGEHYRCI-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000188356559 209227697 /nfs/dbraw/zinc/22/76/97/209227697.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 0 356.511 0.584 20 0 FCADRP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435653 674114999 /nfs/dbraw/zinc/11/49/99/674114999.db2.gz BMCSVJAXONEILU-YUDROITISA-N 2 0 353.488 0.850 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000931484923 674117260 /nfs/dbraw/zinc/11/72/60/674117260.db2.gz QZBHPGAPYICTOO-UHFFFAOYSA-N 2 0 354.476 0.564 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000414709040 245314322 /nfs/dbraw/zinc/31/43/22/245314322.db2.gz DPVNWNCVYDPWHJ-MRXNPFEDSA-N 2 0 373.501 0.885 20 0 FCADRP CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739815 245319105 /nfs/dbraw/zinc/31/91/05/245319105.db2.gz QHDXNFYPOSKVQD-MRXNPFEDSA-N 2 0 364.465 0.961 20 0 FCADRP CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760190 245322968 /nfs/dbraw/zinc/32/29/68/245322968.db2.gz GONKCNDPZAWQNR-CRAIPNDOSA-N 2 0 355.479 0.475 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000414858850 245324013 /nfs/dbraw/zinc/32/40/13/245324013.db2.gz SPZXFFRDOSPQQU-KRWDZBQOSA-N 2 0 362.474 0.554 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000415036480 245341992 /nfs/dbraw/zinc/34/19/92/245341992.db2.gz LIQOUWPZQJMYAL-GOEBONIOSA-N 2 0 353.488 0.925 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088297 245344694 /nfs/dbraw/zinc/34/46/94/245344694.db2.gz WGOHRXSXZAGJKC-IAGOWNOFSA-N 2 0 374.485 0.453 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415306187 245382793 /nfs/dbraw/zinc/38/27/93/245382793.db2.gz KXTBOCOOZDYKQJ-UHFFFAOYSA-N 2 0 361.490 0.881 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415355297 245395665 /nfs/dbraw/zinc/39/56/65/245395665.db2.gz GCQZJZZPWPSCMV-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415366657 245399273 /nfs/dbraw/zinc/39/92/73/245399273.db2.gz YVTXKOLRKFYUQW-UHFFFAOYSA-N 2 0 350.488 0.552 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933203 217076521 /nfs/dbraw/zinc/07/65/21/217076521.db2.gz IDAGERVLUFZNDE-CQSZACIVSA-N 2 0 366.487 0.232 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000374251893 217113860 /nfs/dbraw/zinc/11/38/60/217113860.db2.gz ZZCXGMAXZIQMKR-IAGOWNOFSA-N 2 0 367.538 0.253 20 0 FCADRP COCC[C@@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC[NH2+]C1 ZINC000374453865 217130725 /nfs/dbraw/zinc/13/07/25/217130725.db2.gz WBSPPIDJEYMRAV-BEFAXECRSA-N 2 0 362.474 0.939 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363233 217122363 /nfs/dbraw/zinc/12/23/63/217122363.db2.gz PNEGHVVICAFFJK-IAGOWNOFSA-N 2 0 350.507 0.587 20 0 FCADRP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375239623 217238285 /nfs/dbraw/zinc/23/82/85/217238285.db2.gz VERYQOXGOVRRST-OAHLLOKOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417856496 245731499 /nfs/dbraw/zinc/73/14/99/245731499.db2.gz SHSRGVSIGPSISE-ARFHVFGLSA-N 2 0 353.511 0.888 20 0 FCADRP C[C@@H](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000418017935 245745350 /nfs/dbraw/zinc/74/53/50/245745350.db2.gz HYMFCAGOOBOZKR-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418039563 245747660 /nfs/dbraw/zinc/74/76/60/245747660.db2.gz IFQCRVUVGALXNS-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccco1 ZINC000418937197 245917266 /nfs/dbraw/zinc/91/72/66/245917266.db2.gz FTKDFRUESWCTMR-HNNXBMFYSA-N 2 0 350.463 0.976 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419130227 246004487 /nfs/dbraw/zinc/00/44/87/246004487.db2.gz DZBGMXZCBSULJR-SFHVURJKSA-N 2 0 358.486 0.965 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419129705 246005377 /nfs/dbraw/zinc/00/53/77/246005377.db2.gz AAKNSKXMNXVODI-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419129239 246005400 /nfs/dbraw/zinc/00/54/00/246005400.db2.gz XVVORAIXVCBTKQ-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419129475 246005506 /nfs/dbraw/zinc/00/55/06/246005506.db2.gz DDWDLXUKVUJWRN-WIYYLYMNSA-N 2 0 370.497 0.979 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419132320 246006376 /nfs/dbraw/zinc/00/63/76/246006376.db2.gz HHQXWRVKOULNRJ-BFHYXJOUSA-N 2 0 356.511 0.698 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000419131641 246006977 /nfs/dbraw/zinc/00/69/77/246006977.db2.gz CYYNFMPMHJYUMT-KRWDZBQOSA-N 2 0 352.523 0.929 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419132397 246007375 /nfs/dbraw/zinc/00/73/75/246007375.db2.gz HODWNBMKZSYTCD-QGZVFWFLSA-N 2 0 374.485 0.502 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419135396 246009829 /nfs/dbraw/zinc/00/98/29/246009829.db2.gz MMRNKOPKPFOQLB-MSOLQXFVSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419134657 246009940 /nfs/dbraw/zinc/00/99/40/246009940.db2.gz KNTWIXDEFHHEPW-CQSZACIVSA-N 2 0 364.515 0.897 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419139981 246010808 /nfs/dbraw/zinc/01/08/08/246010808.db2.gz VGHHEGQWXHGRNE-YLJYHZDGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419139976 246011443 /nfs/dbraw/zinc/01/14/43/246011443.db2.gz VGHHEGQWXHGRNE-FXAWDEMLSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419140337 246011705 /nfs/dbraw/zinc/01/17/05/246011705.db2.gz VRJAKILRQHCHAY-GOSISDBHSA-N 2 0 356.470 0.803 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCC(C)CC1 ZINC000419143396 246013395 /nfs/dbraw/zinc/01/33/95/246013395.db2.gz DFTHNQCBEHOLEO-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419145115 246015156 /nfs/dbraw/zinc/01/51/56/246015156.db2.gz YEACDJWVIUSGCQ-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419145116 246015530 /nfs/dbraw/zinc/01/55/30/246015530.db2.gz YEACDJWVIUSGCQ-IAGOWNOFSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165214 246028412 /nfs/dbraw/zinc/02/84/12/246028412.db2.gz FZKKCNJBXLSCCH-ROUUACIJSA-N 2 0 360.502 0.767 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169099 246029988 /nfs/dbraw/zinc/02/99/88/246029988.db2.gz UFLORPHMBYKQIV-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419166897 246030961 /nfs/dbraw/zinc/03/09/61/246030961.db2.gz HZKLRNJRXMTCMF-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170847 246033025 /nfs/dbraw/zinc/03/30/25/246033025.db2.gz OBHVGHOQWOHZOD-AEFFLSMTSA-N 2 0 358.486 0.521 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170849 246033357 /nfs/dbraw/zinc/03/33/57/246033357.db2.gz OBHVGHOQWOHZOD-SJLPKXTDSA-N 2 0 358.486 0.521 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419170576 246033535 /nfs/dbraw/zinc/03/35/35/246033535.db2.gz NWIZKTUCAFQYAG-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419176466 246035147 /nfs/dbraw/zinc/03/51/47/246035147.db2.gz ZFQLJXNJRGDOGC-HOTGVXAUSA-N 2 0 354.495 0.333 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419185552 246041259 /nfs/dbraw/zinc/04/12/59/246041259.db2.gz HDLQKELYTADUKT-QGZVFWFLSA-N 2 0 358.486 0.759 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419192083 246043291 /nfs/dbraw/zinc/04/32/91/246043291.db2.gz OTSDQWFQYNLNOS-GOSISDBHSA-N 2 0 358.486 0.929 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419223449 246062614 /nfs/dbraw/zinc/06/26/14/246062614.db2.gz CYOBNQLIYGSBQM-NXHRZFHOSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228606 246066527 /nfs/dbraw/zinc/06/65/27/246066527.db2.gz MLVAIFVONPNJSL-SOLBZPMBSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419198785 246047594 /nfs/dbraw/zinc/04/75/94/246047594.db2.gz ZCXAYFLUHQWKIJ-QGZVFWFLSA-N 2 0 362.449 0.775 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419202295 246050102 /nfs/dbraw/zinc/05/01/02/246050102.db2.gz GYZQWBYHTNOKJK-HZPDHXFCSA-N 2 0 362.474 0.629 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419229097 246068485 /nfs/dbraw/zinc/06/84/85/246068485.db2.gz NNWHFQZIXBZGQO-NJAFHUGGSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419233880 246069892 /nfs/dbraw/zinc/06/98/92/246069892.db2.gz WVPZNORLGKCKKC-BHYGNILZSA-N 2 0 350.507 0.871 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419242358 246075203 /nfs/dbraw/zinc/07/52/03/246075203.db2.gz HSELRXGOICDHTK-VQFNDLOPSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419247521 246077386 /nfs/dbraw/zinc/07/73/86/246077386.db2.gz NLTLDZUOIHUDMK-BFYDXBDKSA-N 2 0 358.486 0.737 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)CC[NH2+]1 ZINC000419306311 246093613 /nfs/dbraw/zinc/09/36/13/246093613.db2.gz MHHYYOBKHCBDGS-UHFFFAOYSA-N 2 0 359.474 0.899 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310357 246095181 /nfs/dbraw/zinc/09/51/81/246095181.db2.gz QZBHVVNBNPSBKE-CZUORRHYSA-N 2 0 366.506 0.739 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329935 246100004 /nfs/dbraw/zinc/10/00/04/246100004.db2.gz HKHXSDZRZAOWRK-UOAMXJAYSA-N 2 0 374.460 0.678 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419326747 246101947 /nfs/dbraw/zinc/10/19/47/246101947.db2.gz CITFZMHMDBVJCE-HUUCEWRRSA-N 2 0 359.474 0.371 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419369935 246119719 /nfs/dbraw/zinc/11/97/19/246119719.db2.gz GMZADNPDNCFBTC-OAHLLOKOSA-N 2 0 358.486 0.318 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000419371927 246123186 /nfs/dbraw/zinc/12/31/86/246123186.db2.gz LRGFQUFBDZLSGO-IRXDYDNUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377697 246124828 /nfs/dbraw/zinc/12/48/28/246124828.db2.gz UGOACRBWQGADHO-RHSMWYFYSA-N 2 0 358.486 0.459 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000419390819 246130218 /nfs/dbraw/zinc/13/02/18/246130218.db2.gz JIGHWPZSPBUKNJ-UHFFFAOYSA-N 2 0 358.486 0.619 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419414464 246146264 /nfs/dbraw/zinc/14/62/64/246146264.db2.gz DWPRSOLQECZCQV-HOTGVXAUSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419417007 246148935 /nfs/dbraw/zinc/14/89/35/246148935.db2.gz HOZKSMXENBIDCB-QBPKDAKJSA-N 2 0 368.522 0.435 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419415645 246150245 /nfs/dbraw/zinc/15/02/45/246150245.db2.gz VNRNTZJWTXLRLG-VBNZEHGJSA-N 2 0 350.438 0.788 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399706 246135144 /nfs/dbraw/zinc/13/51/44/246135144.db2.gz KEZPGGIMYXJYBO-WBAXXEDZSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419398134 246135381 /nfs/dbraw/zinc/13/53/81/246135381.db2.gz WLDKVUBBPLCGGT-HNNXBMFYSA-N 2 0 358.486 0.760 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404615 246139194 /nfs/dbraw/zinc/13/91/94/246139194.db2.gz UDVDWCZNGREINA-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419432619 246161431 /nfs/dbraw/zinc/16/14/31/246161431.db2.gz YHVSRPLSLYZPDF-MOPGFXCFSA-N 2 0 370.497 0.904 20 0 FCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470497 246172773 /nfs/dbraw/zinc/17/27/73/246172773.db2.gz FLRXDFROEZVNAS-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419475854 246176122 /nfs/dbraw/zinc/17/61/22/246176122.db2.gz FNNWHGZHEBEGQM-BBWFWOEESA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419488030 246180793 /nfs/dbraw/zinc/18/07/93/246180793.db2.gz ZQZSGJQNLVJEBK-VQHPVUNQSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)[N@H+](C)C1CC1 ZINC000419587729 246212565 /nfs/dbraw/zinc/21/25/65/246212565.db2.gz NSPOQMCPFXCYAC-XOKHGSTOSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419535430 246195143 /nfs/dbraw/zinc/19/51/43/246195143.db2.gz RYHLJDFGCPZNAJ-OXFYSEKESA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419537716 246195829 /nfs/dbraw/zinc/19/58/29/246195829.db2.gz WECGFHCJWXNHDA-NJAFHUGGSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCC[N@@H+]1C ZINC000419561750 246202310 /nfs/dbraw/zinc/20/23/10/246202310.db2.gz UCYAEQDDFROWFU-TWMKSMIVSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000419715943 246268806 /nfs/dbraw/zinc/26/88/06/246268806.db2.gz PUICGRXWAZATMR-INIZCTEOSA-N 2 0 368.522 0.724 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000419663411 246236141 /nfs/dbraw/zinc/23/61/41/246236141.db2.gz PVHMXUGOAQAMMU-YSHGAJCASA-N 2 0 370.497 0.834 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419678423 246244127 /nfs/dbraw/zinc/24/41/27/246244127.db2.gz DQUBGSTWMUXRQT-HZPDHXFCSA-N 2 0 366.506 0.381 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419687323 246250726 /nfs/dbraw/zinc/25/07/26/246250726.db2.gz DOLLNDBWDZSIMX-GJZGRUSLSA-N 2 0 368.547 0.660 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000419709809 246263662 /nfs/dbraw/zinc/26/36/62/246263662.db2.gz KMVJYPVCNXUBGP-CRAIPNDOSA-N 2 0 360.502 0.993 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755983 246287099 /nfs/dbraw/zinc/28/70/99/246287099.db2.gz ADRWVJJFQCIDCD-YJBOKZPZSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758236 246287717 /nfs/dbraw/zinc/28/77/17/246287717.db2.gz JQGJVKKZLYKODJ-HIFRSBDPSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000419766918 246290259 /nfs/dbraw/zinc/29/02/59/246290259.db2.gz ZMNFMYZJVPELDO-YOEHRIQHSA-N 2 0 364.465 0.960 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000419778218 246292950 /nfs/dbraw/zinc/29/29/50/246292950.db2.gz OHANXDMOKLTSPR-ZNMIVQPWSA-N 2 0 354.495 0.188 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419803443 246300692 /nfs/dbraw/zinc/30/06/92/246300692.db2.gz CINFBXMUNAKQDD-PBHICJAKSA-N 2 0 362.474 0.754 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419803446 246302112 /nfs/dbraw/zinc/30/21/12/246302112.db2.gz CINFBXMUNAKQDD-YOEHRIQHSA-N 2 0 362.474 0.754 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000419808146 246303629 /nfs/dbraw/zinc/30/36/29/246303629.db2.gz GRRZBSJLVILQQO-WMZOPIPTSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCCCC1 ZINC000419721439 246270721 /nfs/dbraw/zinc/27/07/21/246270721.db2.gz ZWLGITBEAZIADH-TWMKSMIVSA-N 2 0 350.507 0.953 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419831175 246309380 /nfs/dbraw/zinc/30/93/80/246309380.db2.gz WLYYVTGHTJWVGZ-GOSISDBHSA-N 2 0 374.485 0.817 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837756 246312612 /nfs/dbraw/zinc/31/26/12/246312612.db2.gz DOLWXYHWMHOBPS-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1cccc(F)c1 ZINC000419842655 246316279 /nfs/dbraw/zinc/31/62/79/246316279.db2.gz BXPJYVDWLAGPFZ-MRXNPFEDSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419851951 246321351 /nfs/dbraw/zinc/32/13/51/246321351.db2.gz BUBHQNXKEPEXHM-CQSZACIVSA-N 2 0 352.504 0.754 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000419855195 246326127 /nfs/dbraw/zinc/32/61/27/246326127.db2.gz CNXNFBVGABRGOL-KRWDZBQOSA-N 2 0 366.506 0.191 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)CC1 ZINC000419865515 246335453 /nfs/dbraw/zinc/33/54/53/246335453.db2.gz PHXFUKGURBIYIY-RDJZCZTQSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419877985 246346982 /nfs/dbraw/zinc/34/69/82/246346982.db2.gz RICOZKRVXYYEBE-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000419883637 246349823 /nfs/dbraw/zinc/34/98/23/246349823.db2.gz WJSABWKNFDMVBU-IRXDYDNUSA-N 2 0 362.474 0.277 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419885413 246350111 /nfs/dbraw/zinc/35/01/11/246350111.db2.gz BDWOZJIOBMKPAN-MRXNPFEDSA-N 2 0 350.438 0.584 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419890570 246353760 /nfs/dbraw/zinc/35/37/60/246353760.db2.gz TVPQXKDGEKIDNS-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419945490 246381279 /nfs/dbraw/zinc/38/12/79/246381279.db2.gz SMXLPENUDVMQIV-GFCCVEGCSA-N 2 0 356.417 0.566 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419962988 246391477 /nfs/dbraw/zinc/39/14/77/246391477.db2.gz VTHJYJQWCGJYSZ-BZUAXINKSA-N 2 0 368.522 0.435 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419973619 246395125 /nfs/dbraw/zinc/39/51/25/246395125.db2.gz GRDOJKPCQSAJID-JKSUJKDBSA-N 2 0 367.538 0.103 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000419987396 246404059 /nfs/dbraw/zinc/40/40/59/246404059.db2.gz YJWXXJGKKCBUEP-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000423362431 247011761 /nfs/dbraw/zinc/01/17/61/247011761.db2.gz HTEVFACHOGQNNH-CABCVRRESA-N 2 0 350.463 0.756 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423358564 247011911 /nfs/dbraw/zinc/01/19/11/247011911.db2.gz BRRGWRITHSCDDZ-LSDHHAIUSA-N 2 0 364.515 0.706 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423364145 247013664 /nfs/dbraw/zinc/01/36/64/247013664.db2.gz ATYVIUTYZOTETJ-AEFFLSMTSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423392781 247018937 /nfs/dbraw/zinc/01/89/37/247018937.db2.gz QMUFCMDZZSEIDT-CQSZACIVSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423414233 247022577 /nfs/dbraw/zinc/02/25/77/247022577.db2.gz MHNUTWRUJPMUSQ-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423424437 247023720 /nfs/dbraw/zinc/02/37/20/247023720.db2.gz FPGDLJZFXUDPBA-NXOAAHMSSA-N 2 0 350.507 0.763 20 0 FCADRP COc1cccc([C@H](C)N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000423603233 247069904 /nfs/dbraw/zinc/06/99/04/247069904.db2.gz DWSQOZFCINTSBX-INIZCTEOSA-N 2 0 374.485 0.722 20 0 FCADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558893 247052383 /nfs/dbraw/zinc/05/23/83/247052383.db2.gz LOCFGNXXQKFUND-MOPGFXCFSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423583889 247063584 /nfs/dbraw/zinc/06/35/84/247063584.db2.gz BKBNINJWINAEAH-SFHVURJKSA-N 2 0 364.515 0.850 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423602159 247070249 /nfs/dbraw/zinc/07/02/49/247070249.db2.gz FHSPCORSUSDIIY-CEXWTWQISA-N 2 0 370.497 0.917 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000423599549 247068384 /nfs/dbraw/zinc/06/83/84/247068384.db2.gz YADHVPFTGBAAGC-WMZOPIPTSA-N 2 0 358.486 0.930 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423433394 247025500 /nfs/dbraw/zinc/02/55/00/247025500.db2.gz CHMWDGCQXKEDBF-VQIMIIECSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H]1C[NH3+] ZINC000423489420 247035122 /nfs/dbraw/zinc/03/51/22/247035122.db2.gz WNENHOAHWLRQTO-CVEARBPZSA-N 2 0 368.522 0.389 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000423477048 247035417 /nfs/dbraw/zinc/03/54/17/247035417.db2.gz KXPMXRMVLLLWHA-MRXNPFEDSA-N 2 0 362.474 0.393 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423688432 247110251 /nfs/dbraw/zinc/11/02/51/247110251.db2.gz WUYUNNVHDONQPN-DOTOQJQBSA-N 2 0 367.538 0.199 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000423690907 247110687 /nfs/dbraw/zinc/11/06/87/247110687.db2.gz ZFWYQHNZOAIXOV-ZBFHGGJFSA-N 2 0 354.495 0.284 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423686447 247111720 /nfs/dbraw/zinc/11/17/20/247111720.db2.gz UBGGYZUOMPKEDD-BBWFWOEESA-N 2 0 366.506 0.286 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000423612784 247075954 /nfs/dbraw/zinc/07/59/54/247075954.db2.gz UVPKFQBGXREOSE-HNNXBMFYSA-N 2 0 359.474 0.577 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423620322 247078409 /nfs/dbraw/zinc/07/84/09/247078409.db2.gz WNJLFGWXNRQRMG-KZNAEPCWSA-N 2 0 356.470 0.527 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640262 247088184 /nfs/dbraw/zinc/08/81/84/247088184.db2.gz WDEBKBAOKYPEGF-FXAWDEMLSA-N 2 0 356.470 0.671 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423647180 247091033 /nfs/dbraw/zinc/09/10/33/247091033.db2.gz XFDJRZAEVFFGOG-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423658203 247096282 /nfs/dbraw/zinc/09/62/82/247096282.db2.gz XIXTXXKVOIJTGW-LSDHHAIUSA-N 2 0 354.495 0.155 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423804116 247142401 /nfs/dbraw/zinc/14/24/01/247142401.db2.gz XNFUTUUOQYSVTB-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP COC(=O)CCN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@H](C)C1 ZINC000423858945 247146974 /nfs/dbraw/zinc/14/69/74/247146974.db2.gz FILCLDXVKGMXGI-OAHLLOKOSA-N 2 0 354.495 0.286 20 0 FCADRP COC(=O)CCN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@H]1C ZINC000423901631 247148712 /nfs/dbraw/zinc/14/87/12/247148712.db2.gz UAQNBYVOVQRGLE-OAHLLOKOSA-N 2 0 354.495 0.286 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[NH2+]C[C@H]2CCCO2)cn1 ZINC000423918486 247150130 /nfs/dbraw/zinc/15/01/30/247150130.db2.gz POJLXAGYRAOSGA-HRCADAONSA-N 2 0 353.442 0.217 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423717624 247122603 /nfs/dbraw/zinc/12/26/03/247122603.db2.gz AJSDMRAWOVSHSI-BZUAXINKSA-N 2 0 359.536 0.861 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423718951 247124127 /nfs/dbraw/zinc/12/41/27/247124127.db2.gz LZXMYIQTNQDSAM-UZLBHIALSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000423724447 247126610 /nfs/dbraw/zinc/12/66/10/247126610.db2.gz IEIHMBZVXZOWBR-HRCADAONSA-N 2 0 359.536 0.732 20 0 FCADRP COCC[C@@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]C1 ZINC000423740240 247134225 /nfs/dbraw/zinc/13/42/25/247134225.db2.gz IRXYXUVBISNCHB-HKUYNNGSSA-N 2 0 352.523 0.631 20 0 FCADRP CCS(=O)(=O)NCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017801 247161271 /nfs/dbraw/zinc/16/12/71/247161271.db2.gz HLJOFAFTFKJSTC-UHFFFAOYSA-N 2 0 368.503 0.035 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000424457976 247224031 /nfs/dbraw/zinc/22/40/31/247224031.db2.gz SFGCWXZWBZOEGI-HNNXBMFYSA-N 2 0 360.458 0.573 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054673 247287480 /nfs/dbraw/zinc/28/74/80/247287480.db2.gz FQHKSUDMBIZZRG-XLAORIBOSA-N 2 0 362.518 0.872 20 0 FCADRP COCCCNC(=O)[C@H](C)N1CCN(Cc2cnc(N(C)C)n2C)CC1 ZINC000425323272 247322707 /nfs/dbraw/zinc/32/27/07/247322707.db2.gz IUBWQALGXJYTGH-HNNXBMFYSA-N 2 0 366.510 0.145 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000436984969 248056517 /nfs/dbraw/zinc/05/65/17/248056517.db2.gz BMFIVKVNXDIXDX-UHFFFAOYSA-N 2 0 374.485 0.880 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000440976827 248228127 /nfs/dbraw/zinc/22/81/27/248228127.db2.gz CWMXBYZCVPEQEM-IRXDYDNUSA-N 2 0 369.554 0.811 20 0 FCADRP C[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000440982890 248229689 /nfs/dbraw/zinc/22/96/89/248229689.db2.gz QEZPAKUQQLJUKH-INIZCTEOSA-N 2 0 355.527 0.280 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2)C1 ZINC000444168289 248349875 /nfs/dbraw/zinc/34/98/75/248349875.db2.gz NNBZSYOKNCJHFL-DBXWQHBBSA-N 2 0 370.497 1.000 20 0 FCADRP C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444254984 248353144 /nfs/dbraw/zinc/35/31/44/248353144.db2.gz WMSWYCYXMDZLLK-FGTMMUONSA-N 2 0 354.539 0.754 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000446600581 248392681 /nfs/dbraw/zinc/39/26/81/248392681.db2.gz RDNCUHMXZOMAKX-UHFFFAOYSA-N 2 0 354.495 0.653 20 0 FCADRP C[C@@H]1CC(=O)C[C@@H](C(=O)NCCC[NH+](C)C)[C@H]1C(=O)NCCC[NH+](C)C ZINC000448544085 248451690 /nfs/dbraw/zinc/45/16/90/248451690.db2.gz VUCOJNMBKHDHTN-OIISXLGYSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@H](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000452565916 249322802 /nfs/dbraw/zinc/32/28/02/249322802.db2.gz NKWPUVBEKKZRTB-SIRPWMCASA-N 2 0 352.523 0.783 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000270973657 211309849 /nfs/dbraw/zinc/30/98/49/211309849.db2.gz KENYMQUONPNKIA-LSDHHAIUSA-N 2 0 362.474 0.857 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817303 211275813 /nfs/dbraw/zinc/27/58/13/211275813.db2.gz NJPFBIQDJWBSSG-CABCVRRESA-N 2 0 362.474 0.761 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964908 250083733 /nfs/dbraw/zinc/08/37/33/250083733.db2.gz BVBNHXQLIGHFOB-KRWDZBQOSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000471639213 250112193 /nfs/dbraw/zinc/11/21/93/250112193.db2.gz XIZSAUBKESKFNL-IAGOWNOFSA-N 2 0 356.511 0.632 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000472183938 250137386 /nfs/dbraw/zinc/13/73/86/250137386.db2.gz WNVGBLAMAGCXMD-GOSISDBHSA-N 2 0 354.539 0.973 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932552 211119120 /nfs/dbraw/zinc/11/91/20/211119120.db2.gz USNIPNIJVFWMDN-ZDUSSCGKSA-N 2 0 366.466 0.331 20 0 FCADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594688 250164545 /nfs/dbraw/zinc/16/45/45/250164545.db2.gz CSSSSUFKTHDXTB-YJBOKZPZSA-N 2 0 369.506 0.875 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000472982260 250190876 /nfs/dbraw/zinc/19/08/76/250190876.db2.gz BTRSTWZFEHNBDP-IAGOWNOFSA-N 2 0 355.527 0.375 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000473002032 250193163 /nfs/dbraw/zinc/19/31/63/250193163.db2.gz POSVYJVSLUCKKR-SJORKVTESA-N 2 0 356.511 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084908 250269999 /nfs/dbraw/zinc/26/99/99/250269999.db2.gz ZWVUTQUVYYWQGN-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000473875168 250255110 /nfs/dbraw/zinc/25/51/10/250255110.db2.gz KIZJOLMNUHVQQL-UHFFFAOYSA-N 2 0 369.554 0.547 20 0 FCADRP CCN(C)C(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000473924771 250256515 /nfs/dbraw/zinc/25/65/15/250256515.db2.gz WGYAPLGSRSWSNU-HOTGVXAUSA-N 2 0 355.527 0.911 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480879837 250290940 /nfs/dbraw/zinc/29/09/40/250290940.db2.gz LNMVDTHONWNDRH-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000481057454 250310466 /nfs/dbraw/zinc/31/04/66/250310466.db2.gz XDOVWGUCKWDGTB-XHSDSOJGSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000481203660 250321807 /nfs/dbraw/zinc/32/18/07/250321807.db2.gz SSRQRFYWCCPTRX-OWCLPIDISA-N 2 0 350.507 0.990 20 0 FCADRP C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000481635569 250347602 /nfs/dbraw/zinc/34/76/02/250347602.db2.gz UQRZDDMXURPIMI-IMJJTQAJSA-N 2 0 353.511 0.839 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000482021920 250374564 /nfs/dbraw/zinc/37/45/64/250374564.db2.gz OPFPLWCKTBEWSS-UHFFFAOYSA-N 2 0 368.503 0.814 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000482034106 250375015 /nfs/dbraw/zinc/37/50/15/250375015.db2.gz QDCYRIHZYDZEAV-LBPRGKRZSA-N 2 0 364.412 0.539 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+](C)C1 ZINC000413298987 532997104 /nfs/dbraw/zinc/99/71/04/532997104.db2.gz LCBBVHOMUNYMDJ-CABCVRRESA-N 2 0 352.479 0.750 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000067045129 208022353 /nfs/dbraw/zinc/02/23/53/208022353.db2.gz YWIHHANLRUWWKO-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000076464679 208067612 /nfs/dbraw/zinc/06/76/12/208067612.db2.gz WWBZXHMTDQRXET-AEFFLSMTSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+]1CCC(NC(=O)c2cncc(C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000077309777 208071874 /nfs/dbraw/zinc/07/18/74/208071874.db2.gz MCGRJDDANHCTCV-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000078301378 208080723 /nfs/dbraw/zinc/08/07/23/208080723.db2.gz PGIJXJNUOYNZOC-UHFFFAOYSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961227 208124603 /nfs/dbraw/zinc/12/46/03/208124603.db2.gz PPRBVPQNXJZBCI-VQTJNVASSA-N 2 0 374.529 0.766 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000106124962 208210866 /nfs/dbraw/zinc/21/08/66/208210866.db2.gz KPBZGWXXHCLBOX-HOTGVXAUSA-N 2 0 368.522 0.090 20 0 FCADRP Cc1cc(=O)n2nc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)sc2n1 ZINC000106125782 208212006 /nfs/dbraw/zinc/21/20/06/208212006.db2.gz VITOLAUZZLLZGT-CYBMUJFWSA-N 2 0 365.503 0.984 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110239825 208265677 /nfs/dbraw/zinc/26/56/77/208265677.db2.gz OMGLYQOPLXXKEJ-AWEZNQCLSA-N 2 0 352.479 0.797 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)c2cncc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000118494401 208351136 /nfs/dbraw/zinc/35/11/36/208351136.db2.gz PWNNJJBSSXZDGQ-GJZGRUSLSA-N 2 0 359.474 0.445 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266722825 210390811 /nfs/dbraw/zinc/39/08/11/210390811.db2.gz ZTVJPWADIMVXCK-ZDUSSCGKSA-N 2 0 358.402 0.043 20 0 FCADRP COC1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000178873076 209064069 /nfs/dbraw/zinc/06/40/69/209064069.db2.gz LAGBGCGKWZYAEB-UHFFFAOYSA-N 2 0 360.502 0.819 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@H+](C)C1 ZINC000413052905 533478963 /nfs/dbraw/zinc/47/89/63/533478963.db2.gz IRRMZNYJPWUMCJ-HOTGVXAUSA-N 2 0 370.494 0.089 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156162447 229190330 /nfs/dbraw/zinc/19/03/30/229190330.db2.gz GQVMOIUYBRGIHY-ROUUACIJSA-N 2 0 370.538 0.974 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156162687 229191311 /nfs/dbraw/zinc/19/13/11/229191311.db2.gz GQVMOIUYBRGIHY-ZWKOTPCHSA-N 2 0 370.538 0.974 20 0 FCADRP C[C@H]1CCCN(C(=O)C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000262087987 229297574 /nfs/dbraw/zinc/29/75/74/229297574.db2.gz LFKWAPHXRDYEDW-INIZCTEOSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1C(=O)NCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264405613 229332018 /nfs/dbraw/zinc/33/20/18/229332018.db2.gz NJDLSAWKSWTKLY-OAHLLOKOSA-N 2 0 360.462 0.124 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410428765 230074697 /nfs/dbraw/zinc/07/46/97/230074697.db2.gz APBONMJKCDRDHK-MRXNPFEDSA-N 2 0 354.495 0.110 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410436947 230078596 /nfs/dbraw/zinc/07/85/96/230078596.db2.gz RXUFOWMICSEOCL-SJORKVTESA-N 2 0 364.490 0.028 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410436491 230079379 /nfs/dbraw/zinc/07/93/79/230079379.db2.gz RMVUEXJAUNANHC-QGZVFWFLSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410473342 230093011 /nfs/dbraw/zinc/09/30/11/230093011.db2.gz JFRQFNXKBQMBKB-WBVHZDCISA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410479386 230097401 /nfs/dbraw/zinc/09/74/01/230097401.db2.gz UAAJZYIUMQQXEX-WBVHZDCISA-N 2 0 350.507 0.729 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@H](Oc2ccncc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410498038 230103939 /nfs/dbraw/zinc/10/39/39/230103939.db2.gz MGIRVTUHDSTBBY-RDJZCZTQSA-N 2 0 358.442 0.756 20 0 FCADRP CN1CC[NH+](CC2(C)CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)CC1 ZINC000363762234 488882554 /nfs/dbraw/zinc/88/25/54/488882554.db2.gz CCOWDUAWTHGFSC-UHFFFAOYSA-N 2 0 370.505 1.098 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000562795315 491189631 /nfs/dbraw/zinc/18/96/31/491189631.db2.gz CVKMULDKUVPXPQ-OAHLLOKOSA-N 2 0 363.462 0.538 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)ccn2)CC1 ZINC000279089937 488915975 /nfs/dbraw/zinc/91/59/75/488915975.db2.gz WENLBCDXSAHYHW-HNNXBMFYSA-N 2 0 369.473 0.563 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364373381 488952664 /nfs/dbraw/zinc/95/26/64/488952664.db2.gz DQLQVGKYPYPFAH-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)[C@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000562815631 491191785 /nfs/dbraw/zinc/19/17/85/491191785.db2.gz DNRAHZXJOIZLOO-ZIAGYGMSSA-N 2 0 365.444 0.804 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000562816076 491192147 /nfs/dbraw/zinc/19/21/47/491192147.db2.gz TXLHAYOBNPQLKE-CVEARBPZSA-N 2 0 351.495 0.324 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028941 488370451 /nfs/dbraw/zinc/37/04/51/488370451.db2.gz GCIVXXBJWZIJSM-DOTOQJQBSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028946 488370484 /nfs/dbraw/zinc/37/04/84/488370484.db2.gz GCIVXXBJWZIJSM-NVXWUHKLSA-N 2 0 366.506 0.143 20 0 FCADRP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@@H](C)[C@H](C)C3)CC2)C[C@H]1C ZINC000072872158 488383279 /nfs/dbraw/zinc/38/32/79/488383279.db2.gz DRRWVBXBLFEDMT-TVFCKZIOSA-N 2 0 364.534 0.833 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000073253202 488384173 /nfs/dbraw/zinc/38/41/73/488384173.db2.gz UPBQHTONXWVZPQ-OAHLLOKOSA-N 2 0 354.414 0.903 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000073619132 488385578 /nfs/dbraw/zinc/38/55/78/488385578.db2.gz IPEQXJWSBPLWHA-SFHVURJKSA-N 2 0 369.554 0.765 20 0 FCADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182962956 488390148 /nfs/dbraw/zinc/39/01/48/488390148.db2.gz VIXFBDARVYLKCJ-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP CN1CCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000182980602 488391123 /nfs/dbraw/zinc/39/11/23/488391123.db2.gz UWARGGLYCMJRAY-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000185863959 488402819 /nfs/dbraw/zinc/40/28/19/488402819.db2.gz RLKXKQDHXSJZPI-KRWDZBQOSA-N 2 0 361.538 0.344 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000076971744 488407964 /nfs/dbraw/zinc/40/79/64/488407964.db2.gz FWQWTIGAPAEFFH-JKSUJKDBSA-N 2 0 365.522 0.890 20 0 FCADRP C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000077817453 488418069 /nfs/dbraw/zinc/41/80/69/488418069.db2.gz QSMXGANOVIOHEC-QGZVFWFLSA-N 2 0 373.501 0.440 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000077797217 488418433 /nfs/dbraw/zinc/41/84/33/488418433.db2.gz QYJVWSKZBKBZSK-INIZCTEOSA-N 2 0 361.490 0.927 20 0 FCADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000077836431 488418652 /nfs/dbraw/zinc/41/86/52/488418652.db2.gz QYCPFKCYYQWCRW-CVEARBPZSA-N 2 0 355.527 0.911 20 0 FCADRP C[C@@H]([NH2+]CCOCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268727138 488445377 /nfs/dbraw/zinc/44/53/77/488445377.db2.gz MPWKBQFOHBQIHO-OAHLLOKOSA-N 2 0 373.519 0.576 20 0 FCADRP CN1CCC(CNC(=O)C[NH2+]C[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000237158946 488454618 /nfs/dbraw/zinc/45/46/18/488454618.db2.gz CTSCUWSWMRJHKY-KRWDZBQOSA-N 2 0 352.523 0.822 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000237986127 488457734 /nfs/dbraw/zinc/45/77/34/488457734.db2.gz IODSQWJSJAGXJZ-UHFFFAOYSA-N 2 0 359.518 0.610 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1)[C@H]1CCC[NH2+]1 ZINC000245537361 488464761 /nfs/dbraw/zinc/46/47/61/488464761.db2.gz IVGMXPHDIMPPOZ-IPELMVKDSA-N 2 0 370.497 0.980 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000103211434 488499969 /nfs/dbraw/zinc/49/99/69/488499969.db2.gz MBQBNHRJTMTBJT-HZPDHXFCSA-N 2 0 366.506 0.504 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000103305325 488500720 /nfs/dbraw/zinc/50/07/20/488500720.db2.gz OGUKHQUYCHVNNP-UHFFFAOYSA-N 2 0 365.522 0.668 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103616972 488503303 /nfs/dbraw/zinc/50/33/03/488503303.db2.gz SLUIMAMXFFGAHX-UHFFFAOYSA-N 2 0 367.538 0.914 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000108559806 488519615 /nfs/dbraw/zinc/51/96/15/488519615.db2.gz WTHALAFMUFXAAJ-INIZCTEOSA-N 2 0 361.494 0.240 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000271557157 488526217 /nfs/dbraw/zinc/52/62/17/488526217.db2.gz VJPVMILYGQRUGW-UHFFFAOYSA-N 2 0 363.462 0.758 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000261796548 488536602 /nfs/dbraw/zinc/53/66/02/488536602.db2.gz ZLUCORGPEJFALY-BBWFWOEESA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC000114018664 488539366 /nfs/dbraw/zinc/53/93/66/488539366.db2.gz CSIJUXHGHGKZOH-IYBDPMFKSA-N 2 0 356.511 0.896 20 0 FCADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000261970669 488544042 /nfs/dbraw/zinc/54/40/42/488544042.db2.gz CXFOQXQVILQXNR-ZDUSSCGKSA-N 2 0 368.503 0.983 20 0 FCADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261969766 488544164 /nfs/dbraw/zinc/54/41/64/488544164.db2.gz CUYIHBGPLPCAAZ-ZDUSSCGKSA-N 2 0 368.503 0.983 20 0 FCADRP C[NH2+]CCC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000261965803 488544181 /nfs/dbraw/zinc/54/41/81/488544181.db2.gz BDFKELAVZMTKOL-UHFFFAOYSA-N 2 0 362.474 0.886 20 0 FCADRP C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000261998395 488545015 /nfs/dbraw/zinc/54/50/15/488545015.db2.gz ZMHGEYNNJXDKBY-JGGQBBKZSA-N 2 0 350.438 0.478 20 0 FCADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000262020221 488546436 /nfs/dbraw/zinc/54/64/36/488546436.db2.gz WASKEHZLXIEQGR-HNNXBMFYSA-N 2 0 365.478 0.350 20 0 FCADRP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000116400000 488547533 /nfs/dbraw/zinc/54/75/33/488547533.db2.gz YASKXFJIWCQUBC-YSTOQKLRSA-N 2 0 368.566 0.558 20 0 FCADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000262188496 488555933 /nfs/dbraw/zinc/55/59/33/488555933.db2.gz JKMJGMGYUWEFBZ-ZWKOTPCHSA-N 2 0 358.486 0.980 20 0 FCADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000262188490 488556016 /nfs/dbraw/zinc/55/60/16/488556016.db2.gz JKMJGMGYUWEFBZ-ROUUACIJSA-N 2 0 358.486 0.980 20 0 FCADRP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000262221169 488557950 /nfs/dbraw/zinc/55/79/50/488557950.db2.gz UOAOGBVXJKRUHA-INIZCTEOSA-N 2 0 359.474 0.862 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000120462298 488561722 /nfs/dbraw/zinc/56/17/22/488561722.db2.gz QBCWTVMJZBKEIT-IXDOHACOSA-N 2 0 367.538 0.911 20 0 FCADRP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262313533 488563469 /nfs/dbraw/zinc/56/34/69/488563469.db2.gz QQNQNCYTWDMVAE-MRXNPFEDSA-N 2 0 360.458 0.830 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000121129373 488564868 /nfs/dbraw/zinc/56/48/68/488564868.db2.gz KEQKDZPCXQEVRI-AEFFLSMTSA-N 2 0 358.527 0.735 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000262342589 488565051 /nfs/dbraw/zinc/56/50/51/488565051.db2.gz GIEVAIPNFNBUSZ-GVDBMIGSSA-N 2 0 360.458 0.514 20 0 FCADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000262343535 488565242 /nfs/dbraw/zinc/56/52/42/488565242.db2.gz SZAOKNGBNXYPHO-IRXDYDNUSA-N 2 0 361.490 0.416 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000121371074 488567245 /nfs/dbraw/zinc/56/72/45/488567245.db2.gz HGFGZFJWCARGDG-GOSISDBHSA-N 2 0 352.479 0.739 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000262575299 488578490 /nfs/dbraw/zinc/57/84/90/488578490.db2.gz IHTNYLZSMHWOSA-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000124117421 488590076 /nfs/dbraw/zinc/59/00/76/488590076.db2.gz IIDZMJRIUUZHEG-UHFFFAOYSA-N 2 0 361.490 0.440 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806802 488594412 /nfs/dbraw/zinc/59/44/12/488594412.db2.gz PUMPQXRDAKUKIF-IAGOWNOFSA-N 2 0 362.522 0.811 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cn1 ZINC000262966545 488601253 /nfs/dbraw/zinc/60/12/53/488601253.db2.gz LJCFNCQRZLKASD-WMLDXEAASA-N 2 0 350.467 0.407 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000263227857 488607026 /nfs/dbraw/zinc/60/70/26/488607026.db2.gz GZFJARXIYYWAFW-SFHVURJKSA-N 2 0 361.490 0.472 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263259017 488607957 /nfs/dbraw/zinc/60/79/57/488607957.db2.gz RYWTYCMOIFACJT-MJGOQNOKSA-N 2 0 360.502 0.767 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263738776 488623274 /nfs/dbraw/zinc/62/32/74/488623274.db2.gz NYAJPPDOIVGRAM-GOSISDBHSA-N 3 0 360.506 0.987 20 0 FCADRP C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@@H+]1C1CC1 ZINC000129079223 488628981 /nfs/dbraw/zinc/62/89/81/488628981.db2.gz SZEFVBBCHUDLOY-IRXDYDNUSA-N 2 0 367.538 0.301 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000563074943 491213303 /nfs/dbraw/zinc/21/33/03/491213303.db2.gz VDRBYDACETUILE-RTBURBONSA-N 2 0 372.513 0.926 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000130417919 488637611 /nfs/dbraw/zinc/63/76/11/488637611.db2.gz IMSCSESMQMFCPZ-FUHWJXTLSA-N 2 0 360.506 0.627 20 0 FCADRP C[NH+](C)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000133641805 488660966 /nfs/dbraw/zinc/66/09/66/488660966.db2.gz XYQKHDPQQNSTQX-QGZVFWFLSA-N 2 0 361.490 0.745 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000133840042 488661955 /nfs/dbraw/zinc/66/19/55/488661955.db2.gz DXBAIXLCXHXWOQ-UHFFFAOYSA-N 2 0 364.494 0.620 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000134155846 488664778 /nfs/dbraw/zinc/66/47/78/488664778.db2.gz OGGAXRPEBCKWHE-MSOLQXFVSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000563112380 491217134 /nfs/dbraw/zinc/21/71/34/491217134.db2.gz GJDPGAIDFMYMFM-NVQRDWNXSA-N 2 0 361.490 0.123 20 0 FCADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274218785 488691004 /nfs/dbraw/zinc/69/10/04/488691004.db2.gz JHQJSUAWISEDMP-UHFFFAOYSA-N 2 0 356.492 0.805 20 0 FCADRP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698447 488699624 /nfs/dbraw/zinc/69/96/24/488699624.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 0 359.518 0.978 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000152965934 488725469 /nfs/dbraw/zinc/72/54/69/488725469.db2.gz PKJRXJZYMIKPIY-HNNXBMFYSA-N 2 0 364.494 0.764 20 0 FCADRP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810705 488735114 /nfs/dbraw/zinc/73/51/14/488735114.db2.gz JVNMIGDDIASRIY-UKRRQHHQSA-N 2 0 354.520 0.235 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000563143717 491220255 /nfs/dbraw/zinc/22/02/55/491220255.db2.gz OEGBIYPMHXOQQL-GOSISDBHSA-N 2 0 356.470 0.839 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000171656357 488824901 /nfs/dbraw/zinc/82/49/01/488824901.db2.gz ARYSTWFZUQCMQN-UHFFFAOYSA-N 2 0 371.485 0.855 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000171899897 488828540 /nfs/dbraw/zinc/82/85/40/488828540.db2.gz XKLUGTCSSXSPCL-IYBDPMFKSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172159243 488830854 /nfs/dbraw/zinc/83/08/54/488830854.db2.gz OMBWBIPQQNCHOC-HOCLYGCPSA-N 2 0 354.495 0.060 20 0 FCADRP CSCC[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000178044293 488859874 /nfs/dbraw/zinc/85/98/74/488859874.db2.gz LCXWNSYPOOLNCI-UHFFFAOYSA-N 2 0 363.491 0.307 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000364737940 488995014 /nfs/dbraw/zinc/99/50/14/488995014.db2.gz UMMJCKHLNIBOCG-DINLJIAVSA-N 2 0 353.507 0.823 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364787383 489002467 /nfs/dbraw/zinc/00/24/67/489002467.db2.gz BWIOZTWMCGEHNE-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CN(CCC[N@H+](C)CC(=O)NC(=O)NCc1cccs1)CC[NH+](C)C ZINC000289451326 489068522 /nfs/dbraw/zinc/06/85/22/489068522.db2.gz PEHFGJKWLLISAJ-UHFFFAOYSA-N 2 0 369.535 0.889 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000289573729 489078315 /nfs/dbraw/zinc/07/83/15/489078315.db2.gz HLRKMUOPSIINLC-CQSZACIVSA-N 2 0 360.462 0.739 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000290072736 489112083 /nfs/dbraw/zinc/11/20/83/489112083.db2.gz WCMHXIBGNNZPCF-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000365796209 489114594 /nfs/dbraw/zinc/11/45/94/489114594.db2.gz SVCUMQRLFLRGBR-HNNXBMFYSA-N 2 0 364.494 0.495 20 0 FCADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1 ZINC000563306394 491236329 /nfs/dbraw/zinc/23/63/29/491236329.db2.gz FLAWVMABVWOSOW-GOSISDBHSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000331370872 489202679 /nfs/dbraw/zinc/20/26/79/489202679.db2.gz GIBDOJQVZPUIEJ-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)Cc2ccccc2C1 ZINC000570404299 491238747 /nfs/dbraw/zinc/23/87/47/491238747.db2.gz YQGZGJHXUDZHQS-UHFFFAOYSA-N 2 0 372.513 0.789 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331380424 489204369 /nfs/dbraw/zinc/20/43/69/489204369.db2.gz GGBNVPKMUGCYPB-TWMKSMIVSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331390847 489205510 /nfs/dbraw/zinc/20/55/10/489205510.db2.gz JJVNCKQRQXQUNR-IRXDYDNUSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367373447 489206619 /nfs/dbraw/zinc/20/66/19/489206619.db2.gz YNRVNSDJSINMAF-CABCVRRESA-N 2 0 356.478 0.707 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000331447061 489212659 /nfs/dbraw/zinc/21/26/59/489212659.db2.gz CFFKYZGJSJIRIR-FPCVCCKLSA-N 2 0 350.507 0.727 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000331449705 489213163 /nfs/dbraw/zinc/21/31/63/489213163.db2.gz YZFPJJBYEFCKHJ-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000332798410 489232258 /nfs/dbraw/zinc/23/22/58/489232258.db2.gz NULVWDBECQNLDX-LPHOPBHVSA-N 2 0 368.522 0.992 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCCn2ccnc2)CCN1CC(C)(C)O ZINC000297750563 489234586 /nfs/dbraw/zinc/23/45/86/489234586.db2.gz LMDWVGHUGSNVSF-OAHLLOKOSA-N 2 0 365.478 0.035 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332842758 489238448 /nfs/dbraw/zinc/23/84/48/489238448.db2.gz OIKAKMJXIYZFOG-BZSNNMDCSA-N 2 0 368.522 0.774 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000297806987 489243673 /nfs/dbraw/zinc/24/36/73/489243673.db2.gz KESBXBFCVATIHU-UHFFFAOYSA-N 2 0 352.454 0.736 20 0 FCADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000563397170 491241918 /nfs/dbraw/zinc/24/19/18/491241918.db2.gz QRNUPOGLHPHPTA-SJLPKXTDSA-N 2 0 353.532 0.777 20 0 FCADRP C[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCOCC1 ZINC000332977568 489252971 /nfs/dbraw/zinc/25/29/71/489252971.db2.gz ISRRHRJMDPHRNA-BURFUSLBSA-N 2 0 368.522 0.773 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332979684 489253222 /nfs/dbraw/zinc/25/32/22/489253222.db2.gz KYCIAWCMBBXFME-BPQIPLTHSA-N 2 0 367.538 0.299 20 0 FCADRP C[C@H](CN1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332976412 489253351 /nfs/dbraw/zinc/25/33/51/489253351.db2.gz HPPGTXUEPGOSLH-PVAVHDDUSA-N 2 0 354.495 0.384 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1)CN1CCOCC1 ZINC000332997990 489255482 /nfs/dbraw/zinc/25/54/82/489255482.db2.gz FNCPVGPBNQTGLA-HLLBOEOZSA-N 2 0 365.478 0.908 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000283460455 489261558 /nfs/dbraw/zinc/26/15/58/489261558.db2.gz NDNFVOJDXPPZHQ-UHFFFAOYSA-N 2 0 350.463 0.770 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501432 489267185 /nfs/dbraw/zinc/26/71/85/489267185.db2.gz PPORNQPCPUQHQT-QYZOEREBSA-N 2 0 370.497 0.930 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000369881670 489286680 /nfs/dbraw/zinc/28/66/80/489286680.db2.gz HTGHBFHKRKXHHO-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563448714 491247645 /nfs/dbraw/zinc/24/76/45/491247645.db2.gz LXYUZBNTFDTJFB-GDBMZVCRSA-N 2 0 361.446 0.403 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370068297 489313232 /nfs/dbraw/zinc/31/32/32/489313232.db2.gz WQNDFXRNVAOTGU-IRXDYDNUSA-N 2 0 374.485 0.975 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285816637 489321898 /nfs/dbraw/zinc/32/18/98/489321898.db2.gz NPWIKZAKYZRFJL-SFHVURJKSA-N 2 0 360.502 0.687 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCNC(=O)c1ccco1 ZINC000298652267 489349466 /nfs/dbraw/zinc/34/94/66/489349466.db2.gz JBAWYLNSWXWTLO-UHFFFAOYSA-N 2 0 367.494 0.924 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000299103977 489406295 /nfs/dbraw/zinc/40/62/95/489406295.db2.gz UCZPLJFJDMWQLT-UHFFFAOYSA-N 2 0 373.545 0.753 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000362962822 489407580 /nfs/dbraw/zinc/40/75/80/489407580.db2.gz WSIAXMDBSYWJRZ-IAGOWNOFSA-N 2 0 354.495 0.338 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183139 489435160 /nfs/dbraw/zinc/43/51/60/489435160.db2.gz OHRZHFBACJNJLA-ZWKOTPCHSA-N 2 0 366.506 0.603 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000371019693 489438358 /nfs/dbraw/zinc/43/83/58/489438358.db2.gz QHSSOFYUMZPBNE-KRWDZBQOSA-N 2 0 354.495 0.461 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccnc1 ZINC000299477089 489446219 /nfs/dbraw/zinc/44/62/19/489446219.db2.gz FYFRNKQIBOEBNA-UHFFFAOYSA-N 2 0 368.441 0.744 20 0 FCADRP Cn1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000299614404 489462674 /nfs/dbraw/zinc/46/26/74/489462674.db2.gz YDBKZTQAONGORJ-UHFFFAOYSA-N 2 0 356.430 0.117 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292441 489474858 /nfs/dbraw/zinc/47/48/58/489474858.db2.gz BXRKSPGPLIWWIW-QLFBSQMISA-N 2 0 352.479 0.890 20 0 FCADRP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097071 489492753 /nfs/dbraw/zinc/49/27/53/489492753.db2.gz AEVFUAYGVUFGFS-RDTXWAMCSA-N 2 0 357.414 0.910 20 0 FCADRP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423150018 489497344 /nfs/dbraw/zinc/49/73/44/489497344.db2.gz YLIHAOIUXHYFGJ-MSOLQXFVSA-N 2 0 374.485 0.296 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000423161796 489497946 /nfs/dbraw/zinc/49/79/46/489497946.db2.gz JRJIHSKUODYLNP-RHSMWYFYSA-N 2 0 364.465 0.912 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)o1 ZINC000423171398 489499410 /nfs/dbraw/zinc/49/94/10/489499410.db2.gz OHHXNIPMGWKEGV-INIZCTEOSA-N 2 0 366.462 0.054 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000423193064 489501271 /nfs/dbraw/zinc/50/12/71/489501271.db2.gz WJYPAPBGNCBAJX-RDJZCZTQSA-N 2 0 368.522 0.530 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000423199418 489502297 /nfs/dbraw/zinc/50/22/97/489502297.db2.gz BKEOJJRZHBEFGJ-RHSMWYFYSA-N 2 0 364.465 0.912 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000423201042 489502308 /nfs/dbraw/zinc/50/23/08/489502308.db2.gz HCRARPNTQZWILC-ZDUSSCGKSA-N 2 0 368.428 0.675 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000423210464 489502489 /nfs/dbraw/zinc/50/24/89/489502489.db2.gz WSNLWHPYANKIRZ-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000423208585 489502705 /nfs/dbraw/zinc/50/27/05/489502705.db2.gz ZIZLUYAOPHQZFC-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423210833 489503453 /nfs/dbraw/zinc/50/34/53/489503453.db2.gz XRSJANFPQFCIHF-OAHLLOKOSA-N 2 0 352.866 0.790 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000423218107 489504015 /nfs/dbraw/zinc/50/40/15/489504015.db2.gz UWOJZYJMKBWTTR-GDBMZVCRSA-N 2 0 354.495 0.141 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000423230790 489505873 /nfs/dbraw/zinc/50/58/73/489505873.db2.gz KCKUJECSNVXZDK-LJQANCHMSA-N 2 0 372.513 0.974 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000423231496 489505959 /nfs/dbraw/zinc/50/59/59/489505959.db2.gz LJEPSXQLVMGLQT-GOSISDBHSA-N 2 0 358.486 0.713 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)nc1 ZINC000415128259 489512751 /nfs/dbraw/zinc/51/27/51/489512751.db2.gz SSPQNYZGEODJLH-HNNXBMFYSA-N 2 0 362.478 0.477 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423301092 489513455 /nfs/dbraw/zinc/51/34/55/489513455.db2.gz FLSAUMQOHJRXOJ-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000415390510 489516757 /nfs/dbraw/zinc/51/67/57/489516757.db2.gz GLSMVAPXLKUBBD-OAHLLOKOSA-N 2 0 362.474 0.990 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415479405 489524578 /nfs/dbraw/zinc/52/45/78/489524578.db2.gz HNHUADRVWSPPLI-ZBFHGGJFSA-N 2 0 360.458 0.918 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000415518791 489526673 /nfs/dbraw/zinc/52/66/73/489526673.db2.gz NHBUGAVQFLZEOD-UHFFFAOYSA-N 2 0 361.490 0.883 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371942639 489527001 /nfs/dbraw/zinc/52/70/01/489527001.db2.gz MCDOJCHPRCPOPW-QGZVFWFLSA-N 2 0 355.527 0.375 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000415566393 489531122 /nfs/dbraw/zinc/53/11/22/489531122.db2.gz PKJKHBKQXKPOPT-KBPBESRZSA-N 2 0 362.478 0.687 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415593955 489533939 /nfs/dbraw/zinc/53/39/39/489533939.db2.gz FUFZHFUYFLQHFD-CQSZACIVSA-N 2 0 364.446 0.060 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415603827 489535768 /nfs/dbraw/zinc/53/57/68/489535768.db2.gz UZFDIMPUYHYXEU-CQSZACIVSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000415675815 489540591 /nfs/dbraw/zinc/54/05/91/489540591.db2.gz QNXSVVUADBKFSE-BETUJISGSA-N 2 0 364.421 0.382 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1)C1CC1 ZINC000415679823 489541161 /nfs/dbraw/zinc/54/11/61/489541161.db2.gz ZJONPWWDHPVYMD-IYBDPMFKSA-N 2 0 356.470 0.940 20 0 FCADRP COc1ccccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555637749 491261561 /nfs/dbraw/zinc/26/15/61/491261561.db2.gz KWMULZPLDOPMNN-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415754430 489550168 /nfs/dbraw/zinc/55/01/68/489550168.db2.gz ZMEXNBWTCFFLHN-CABCVRRESA-N 2 0 360.458 0.633 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)CC1 ZINC000415766200 489551157 /nfs/dbraw/zinc/55/11/57/489551157.db2.gz WKAKUMAEGKSJAF-FVQHAEBGSA-N 2 0 357.458 0.101 20 0 FCADRP CC[C@@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000372192957 489558268 /nfs/dbraw/zinc/55/82/68/489558268.db2.gz RCCAODASQJTDHA-LJQANCHMSA-N 2 0 360.506 0.885 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415868711 489562410 /nfs/dbraw/zinc/56/24/10/489562410.db2.gz QSFQWWHZBHWEEC-QGZVFWFLSA-N 2 0 360.458 0.716 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000415964462 489566691 /nfs/dbraw/zinc/56/66/91/489566691.db2.gz SQMAUUCJDOAKLG-ZFWWWQNUSA-N 2 0 374.489 0.607 20 0 FCADRP [NH3+]CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000415992796 489567206 /nfs/dbraw/zinc/56/72/06/489567206.db2.gz BUXVFHIDKQOBEP-LBPRGKRZSA-N 2 0 365.400 0.216 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000555670159 491264548 /nfs/dbraw/zinc/26/45/48/491264548.db2.gz INTFXQIWCGTFKF-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP COc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000426899747 489586259 /nfs/dbraw/zinc/58/62/59/489586259.db2.gz XWXPHXHTFUTJFK-GJZGRUSLSA-N 2 0 363.510 0.941 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000372454901 489586394 /nfs/dbraw/zinc/58/63/94/489586394.db2.gz MHDWAKGJMYSKFN-QZTJIDSGSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000555674734 491265206 /nfs/dbraw/zinc/26/52/06/491265206.db2.gz QIWDHCDBKKGXKF-UHFFFAOYSA-N 2 0 352.504 0.849 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000416830553 489630569 /nfs/dbraw/zinc/63/05/69/489630569.db2.gz AAIJWUFTZDEFHF-SFHVURJKSA-N 2 0 361.490 0.092 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000683084420 493332942 /nfs/dbraw/zinc/33/29/42/493332942.db2.gz DVIOXYHTYRQTCO-MSOLQXFVSA-N 2 0 367.538 0.375 20 0 FCADRP C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C[NH3+] ZINC000416955185 489636235 /nfs/dbraw/zinc/63/62/35/489636235.db2.gz WTVKUMWTZWPAMO-DOTOQJQBSA-N 2 0 360.506 0.960 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000416969697 489637283 /nfs/dbraw/zinc/63/72/83/489637283.db2.gz LDCSATFVFAJXLV-KRWDZBQOSA-N 2 0 350.463 0.805 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417002290 489638226 /nfs/dbraw/zinc/63/82/26/489638226.db2.gz GAZIEFJZLLWHAU-UNEWFSDZSA-N 2 0 353.511 0.663 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](c2ccccc2)C1 ZINC000417013660 489638570 /nfs/dbraw/zinc/63/85/70/489638570.db2.gz CXXPNGUXPGVCNO-ZSYWTGECSA-N 2 0 357.502 0.882 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417016395 489638656 /nfs/dbraw/zinc/63/86/56/489638656.db2.gz GCSWZQSIOFUUSZ-IXDOHACOSA-N 2 0 367.538 0.851 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417022186 489639455 /nfs/dbraw/zinc/63/94/55/489639455.db2.gz OARMIAWXXZGKFM-GOSISDBHSA-N 2 0 361.490 0.486 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730873 491268307 /nfs/dbraw/zinc/26/83/07/491268307.db2.gz MDXDYWKBBTUFPX-NVXWUHKLSA-N 2 0 366.506 0.226 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417188791 489644512 /nfs/dbraw/zinc/64/45/12/489644512.db2.gz YAZHAPVNNKPWAJ-CQSZACIVSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000417212064 489645126 /nfs/dbraw/zinc/64/51/26/489645126.db2.gz HJNFCWMDHSAHGJ-JTDSTZFVSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000457502453 489647061 /nfs/dbraw/zinc/64/70/61/489647061.db2.gz FCFLROXLBLDICY-SJORKVTESA-N 2 0 356.511 0.489 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000417367403 489649375 /nfs/dbraw/zinc/64/93/75/489649375.db2.gz MHOFLMLBDGJFTL-QGZVFWFLSA-N 3 0 360.506 0.893 20 0 FCADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620291 489651935 /nfs/dbraw/zinc/65/19/35/489651935.db2.gz PMWNKYHUHXLOMF-ZWKOTPCHSA-N 2 0 369.554 0.404 20 0 FCADRP CCCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000417427976 489652460 /nfs/dbraw/zinc/65/24/60/489652460.db2.gz KBOHSVGPCLBLBE-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000417429828 489652474 /nfs/dbraw/zinc/65/24/74/489652474.db2.gz NXPJUURGAXYHJL-JYJNAYRXSA-N 2 0 353.511 0.616 20 0 FCADRP CC[N@H+](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417428405 489652530 /nfs/dbraw/zinc/65/25/30/489652530.db2.gz KXLZTMVLEQUJHO-CYBMUJFWSA-N 2 0 351.417 0.606 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417430767 489652569 /nfs/dbraw/zinc/65/25/69/489652569.db2.gz PVWJQFDIGCZKGY-JYJNAYRXSA-N 2 0 353.511 0.840 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000555731969 491268971 /nfs/dbraw/zinc/26/89/71/491268971.db2.gz WHCOZYRXLISULJ-MRXNPFEDSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000417479870 489655499 /nfs/dbraw/zinc/65/54/99/489655499.db2.gz LEMFRGGUJMCEEN-QGZVFWFLSA-N 2 0 350.463 0.805 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000417557596 489658098 /nfs/dbraw/zinc/65/80/98/489658098.db2.gz CCUSPMDFXSPFFJ-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417550130 489658393 /nfs/dbraw/zinc/65/83/93/489658393.db2.gz UNPLRQUQRXMRHF-YOEHRIQHSA-N 2 0 361.490 0.778 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCCC1 ZINC000428636142 489658856 /nfs/dbraw/zinc/65/88/56/489658856.db2.gz YOJINWLTMUKKRC-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620618 489660056 /nfs/dbraw/zinc/66/00/56/489660056.db2.gz DHSDBSQZVZSYFN-HOCLYGCPSA-N 2 0 351.495 0.370 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000417837876 489667999 /nfs/dbraw/zinc/66/79/99/489667999.db2.gz INEPVYIGILDCNF-INIZCTEOSA-N 2 0 367.538 0.912 20 0 FCADRP CCC[NH2+]CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417838021 489668078 /nfs/dbraw/zinc/66/80/78/489668078.db2.gz IWEDCCSNZURXFL-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417845378 489668087 /nfs/dbraw/zinc/66/80/87/489668087.db2.gz OXIRGLQUWMVIKN-OAHLLOKOSA-N 2 0 355.527 0.896 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910191 489670837 /nfs/dbraw/zinc/67/08/37/489670837.db2.gz JKIKQHZIOIQPKV-IRXDYDNUSA-N 2 0 367.538 0.851 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555752989 491270450 /nfs/dbraw/zinc/27/04/50/491270450.db2.gz PAOPVVZBZSDPSS-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CC(C)(CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000418069537 489677088 /nfs/dbraw/zinc/67/70/88/489677088.db2.gz RPZMSRICDXEWKG-OAHLLOKOSA-N 2 0 353.511 0.605 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408408 489681305 /nfs/dbraw/zinc/68/13/05/489681305.db2.gz DKCOGEXCZKMPMX-HZPDHXFCSA-N 2 0 353.511 0.605 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555758163 491271009 /nfs/dbraw/zinc/27/10/09/491271009.db2.gz VMEBUPGXOJZDMG-UHFFFAOYSA-N 2 0 367.538 0.122 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418198903 489685140 /nfs/dbraw/zinc/68/51/40/489685140.db2.gz MMVYSFOEZLBGHO-JKSUJKDBSA-N 2 0 353.511 0.569 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000570879998 491271397 /nfs/dbraw/zinc/27/13/97/491271397.db2.gz VZXZQEJFHMVKFT-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418306085 489691228 /nfs/dbraw/zinc/69/12/28/489691228.db2.gz QGTCYMUDZLDNPZ-ROUUACIJSA-N 2 0 361.490 0.345 20 0 FCADRP C[NH2+]CCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418335946 489692826 /nfs/dbraw/zinc/69/28/26/489692826.db2.gz WNLVIJFXCJFMDD-KRWDZBQOSA-N 2 0 360.506 0.845 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418347712 489693273 /nfs/dbraw/zinc/69/32/73/489693273.db2.gz QUHJLASOZAPLHI-JKSUJKDBSA-N 2 0 353.511 0.570 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418359619 489693414 /nfs/dbraw/zinc/69/34/14/489693414.db2.gz ANMTYMCDFYKTQJ-SJORKVTESA-N 2 0 355.527 0.278 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418347706 489693423 /nfs/dbraw/zinc/69/34/23/489693423.db2.gz QUHJLASOZAPLHI-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP CC(C)C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)C(=O)NCC[NH+](C)C ZINC000418352137 489693691 /nfs/dbraw/zinc/69/36/91/489693691.db2.gz SKNBPERJDPBHMY-CVEARBPZSA-N 2 0 355.527 0.768 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000418441652 489698172 /nfs/dbraw/zinc/69/81/72/489698172.db2.gz SDCBBGJBXSSVIO-HNNXBMFYSA-N 2 0 371.526 0.372 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418442298 489699090 /nfs/dbraw/zinc/69/90/90/489699090.db2.gz JREKKJVMWJSJPN-ARFHVFGLSA-N 2 0 353.511 0.794 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418515396 489702589 /nfs/dbraw/zinc/70/25/89/489702589.db2.gz YHPPPLDJRZYKHK-IRXDYDNUSA-N 2 0 350.463 0.157 20 0 FCADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418515395 489702811 /nfs/dbraw/zinc/70/28/11/489702811.db2.gz YHPPPLDJRZYKHK-IAGOWNOFSA-N 2 0 350.463 0.157 20 0 FCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458854047 489704871 /nfs/dbraw/zinc/70/48/71/489704871.db2.gz XGTHHZJOYGBKLP-UHFFFAOYSA-N 2 0 369.554 0.768 20 0 FCADRP C[C@]1(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000418533321 489705068 /nfs/dbraw/zinc/70/50/68/489705068.db2.gz DHHCZOMSMZIZSZ-MDZRGWNJSA-N 2 0 365.522 0.666 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418565773 489707954 /nfs/dbraw/zinc/70/79/54/489707954.db2.gz LXNAIDXAGIQPKQ-IRXDYDNUSA-N 2 0 360.506 0.972 20 0 FCADRP O=C(CNC(=O)NCCC1=CC[NH2+]CC1)NCC[NH+]1CCCCCC1 ZINC000418603018 489708995 /nfs/dbraw/zinc/70/89/95/489708995.db2.gz NZKSRWVJHGYIES-UHFFFAOYSA-N 2 0 351.495 0.588 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418605571 489709484 /nfs/dbraw/zinc/70/94/84/489709484.db2.gz APXQZAOSIFSGIB-HNNXBMFYSA-N 2 0 373.423 0.993 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609334 489709522 /nfs/dbraw/zinc/70/95/22/489709522.db2.gz FHGSIMYPZJSFKB-MGPQQGTHSA-N 2 0 365.444 0.804 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H](O)C(F)F ZINC000489434429 489711398 /nfs/dbraw/zinc/71/13/98/489711398.db2.gz LNJDRDDWASUIRQ-CQSZACIVSA-N 2 0 357.405 0.519 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624587 489712723 /nfs/dbraw/zinc/71/27/23/489712723.db2.gz ZCOHZBSJWNCJHP-ZIAGYGMSSA-N 2 0 365.444 0.806 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418634511 489713260 /nfs/dbraw/zinc/71/32/60/489713260.db2.gz FQGCCEKGSZDUMZ-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP COCC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH2+]CC1 ZINC000418641271 489714311 /nfs/dbraw/zinc/71/43/11/489714311.db2.gz QBSZNSUSMDZWRU-OAHLLOKOSA-N 2 0 356.511 0.489 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132435 489719524 /nfs/dbraw/zinc/71/95/24/489719524.db2.gz IOEYTCHPHMFSDW-CRAIPNDOSA-N 2 0 353.511 0.713 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418734535 489720942 /nfs/dbraw/zinc/72/09/42/489720942.db2.gz SOPURYHVQMQZHF-WDYCEAGBSA-N 2 0 364.465 0.885 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000418733221 489721043 /nfs/dbraw/zinc/72/10/43/489721043.db2.gz VBKRYNFVNAPGDK-HZPDHXFCSA-N 2 0 353.511 0.795 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418738037 489721344 /nfs/dbraw/zinc/72/13/44/489721344.db2.gz WQYXHVAICNXOPI-OIISXLGYSA-N 2 0 350.438 0.806 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000418769952 489725192 /nfs/dbraw/zinc/72/51/92/489725192.db2.gz QDLLAVQQUMUUOO-QGZVFWFLSA-N 2 0 350.463 0.757 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789948 489727321 /nfs/dbraw/zinc/72/73/21/489727321.db2.gz MHMKNKLBSOWJMS-IAGOWNOFSA-N 3 0 355.527 0.422 20 0 FCADRP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000489853367 489730762 /nfs/dbraw/zinc/73/07/62/489730762.db2.gz BVGLCGCVIDPSMQ-UHFFFAOYSA-N 2 0 367.538 0.060 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418802261 489731262 /nfs/dbraw/zinc/73/12/62/489731262.db2.gz JXBYETPLPMKBFP-HNNXBMFYSA-N 2 0 354.495 0.191 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000473993460 489744311 /nfs/dbraw/zinc/74/43/11/489744311.db2.gz LDNXOCBTKHNJJB-UHFFFAOYSA-N 2 0 352.483 0.755 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418831495 489744846 /nfs/dbraw/zinc/74/48/46/489744846.db2.gz GKROAMQGKJQHEI-WBVHZDCISA-N 2 0 374.485 0.898 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418837229 489747713 /nfs/dbraw/zinc/74/77/13/489747713.db2.gz AAHKVCQLBVTIDH-UONOGXRCSA-N 2 0 350.488 0.822 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000418837884 489748003 /nfs/dbraw/zinc/74/80/03/489748003.db2.gz BIDHSEHQTMHIQA-CZUORRHYSA-N 2 0 350.463 0.386 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000418839643 489749685 /nfs/dbraw/zinc/74/96/85/489749685.db2.gz DAIGZRPAPXEYFU-NUEKZKHPSA-N 2 0 350.507 0.951 20 0 FCADRP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430602206 489750279 /nfs/dbraw/zinc/75/02/79/489750279.db2.gz GMQRCSFHVQMNRB-KGLIPLIRSA-N 2 0 352.504 0.582 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430602125 489750637 /nfs/dbraw/zinc/75/06/37/489750637.db2.gz GGZLCSQYRLRCDX-ZDUSSCGKSA-N 2 0 354.401 0.368 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430609990 489751913 /nfs/dbraw/zinc/75/19/13/489751913.db2.gz JGNDXZMZRNZCTL-AEFFLSMTSA-N 2 0 358.486 0.967 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000430606375 489752539 /nfs/dbraw/zinc/75/25/39/489752539.db2.gz VHKACMSEOPQCFB-CQSZACIVSA-N 2 0 352.866 0.743 20 0 FCADRP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606567 489752750 /nfs/dbraw/zinc/75/27/50/489752750.db2.gz WHUWOCGZAZHLSB-SJLPKXTDSA-N 2 0 360.502 0.829 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000430614499 489753887 /nfs/dbraw/zinc/75/38/87/489753887.db2.gz YTULOTDJJWVPLN-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000418847247 489753994 /nfs/dbraw/zinc/75/39/94/489753994.db2.gz IXKFNUSABAXQFK-ZWKOTPCHSA-N 2 0 360.502 0.876 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418852497 489757604 /nfs/dbraw/zinc/75/76/04/489757604.db2.gz QSHACRPPGDKEGB-HOCLYGCPSA-N 2 0 360.458 0.508 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000418852533 489757641 /nfs/dbraw/zinc/75/76/41/489757641.db2.gz QYOCFZSEXRIVPN-RDJZCZTQSA-N 2 0 374.485 0.817 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855555 489759755 /nfs/dbraw/zinc/75/97/55/489759755.db2.gz UZRZVHFFOUSKTR-HOCLYGCPSA-N 2 0 362.474 0.659 20 0 FCADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430637222 489760056 /nfs/dbraw/zinc/76/00/56/489760056.db2.gz BZACWZSKKAVBIU-INIZCTEOSA-N 2 0 362.474 0.236 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418857100 489760693 /nfs/dbraw/zinc/76/06/93/489760693.db2.gz YCULTNPKVAJECQ-JQHSSLGASA-N 2 0 360.502 0.780 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418858053 489761306 /nfs/dbraw/zinc/76/13/06/489761306.db2.gz IJSVMNCKJYYMMG-KBPBESRZSA-N 2 0 350.488 0.951 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000418860229 489761417 /nfs/dbraw/zinc/76/14/17/489761417.db2.gz LTILQQZVQOFQGK-OKZBNKHCSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418859765 489761713 /nfs/dbraw/zinc/76/17/13/489761713.db2.gz KTPNLTGVRGVCSW-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C[NH2+]1 ZINC000418862562 489763807 /nfs/dbraw/zinc/76/38/07/489763807.db2.gz ANOWVTSRKRVVQW-RKVPGOIHSA-N 2 0 374.485 0.078 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418866577 489765520 /nfs/dbraw/zinc/76/55/20/489765520.db2.gz OBBJMPAOLSADHS-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418871278 489767984 /nfs/dbraw/zinc/76/79/84/489767984.db2.gz VEQWAZLLLBEMKU-HUUCEWRRSA-N 2 0 354.495 0.189 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)[NH+]2CCCC2)c1 ZINC000418874164 489768455 /nfs/dbraw/zinc/76/84/55/489768455.db2.gz IRIYHXXACHKJPJ-SFHVURJKSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCO1 ZINC000418879705 489772205 /nfs/dbraw/zinc/77/22/05/489772205.db2.gz NXFLMHGWVBQNEG-QZWWFDLISA-N 2 0 366.506 0.189 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418882950 489773070 /nfs/dbraw/zinc/77/30/70/489773070.db2.gz ZTCSJFHPCVWQJN-SFHVURJKSA-N 2 0 374.485 0.817 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883337 489774165 /nfs/dbraw/zinc/77/41/65/489774165.db2.gz UYIRKJBZGRQLKP-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430896808 489775106 /nfs/dbraw/zinc/77/51/06/489775106.db2.gz LGJJJNMDHKFRRS-OAHLLOKOSA-N 2 0 360.458 0.781 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418885939 489775832 /nfs/dbraw/zinc/77/58/32/489775832.db2.gz ZPUMLZDQMUTILO-PMPSAXMXSA-N 2 0 354.495 0.237 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929714 489778582 /nfs/dbraw/zinc/77/85/82/489778582.db2.gz YKPMHEFULKLCLT-OAHLLOKOSA-N 2 0 366.510 0.943 20 0 FCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)S(C)(=O)=O ZINC000430927754 489778826 /nfs/dbraw/zinc/77/88/26/489778826.db2.gz RNIURRUTYGYKGS-AWEZNQCLSA-N 2 0 362.540 0.222 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431009527 489784138 /nfs/dbraw/zinc/78/41/38/489784138.db2.gz YVRKLWVJXMZBJV-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000376725412 489784586 /nfs/dbraw/zinc/78/45/86/489784586.db2.gz BFYGBVMRRWFNMR-VVLHAWIVSA-N 2 0 354.495 0.648 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033417 489785108 /nfs/dbraw/zinc/78/51/08/489785108.db2.gz PAAFZKBYRNRAAY-QGZVFWFLSA-N 3 0 352.523 0.535 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459899285 489785114 /nfs/dbraw/zinc/78/51/14/489785114.db2.gz QDGIMGUPUPAECV-CALCHBBNSA-N 2 0 367.538 0.023 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000431031197 489785610 /nfs/dbraw/zinc/78/56/10/489785610.db2.gz WHGYDLLZRNXGSA-UHFFFAOYSA-N 2 0 362.474 0.264 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459908584 489787592 /nfs/dbraw/zinc/78/75/92/489787592.db2.gz QPIISSOCBNGGGE-IRXDYDNUSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418913387 489788852 /nfs/dbraw/zinc/78/88/52/489788852.db2.gz DRLPPILUZLNWDH-ARFHVFGLSA-N 2 0 354.495 0.093 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915237 489790247 /nfs/dbraw/zinc/79/02/47/489790247.db2.gz IBVIXCASPHWLRB-CUYVQJCZSA-N 2 0 368.522 0.842 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000459912852 489790295 /nfs/dbraw/zinc/79/02/95/489790295.db2.gz IKLLWGJRFWFYNK-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000418930479 489794631 /nfs/dbraw/zinc/79/46/31/489794631.db2.gz XXEZHWNSFGURBH-HOTGVXAUSA-N 2 0 354.495 0.060 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000459928634 489797640 /nfs/dbraw/zinc/79/76/40/489797640.db2.gz YBNYWIXUBNOCCP-QGZVFWFLSA-N 2 0 368.522 0.234 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)C1 ZINC000376801880 489798052 /nfs/dbraw/zinc/79/80/52/489798052.db2.gz NXNBGVNEAROSPD-RCCFBDPRSA-N 2 0 368.522 0.848 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418945038 489799178 /nfs/dbraw/zinc/79/91/78/489799178.db2.gz KXELWVDBBPVJHW-WBVHZDCISA-N 2 0 362.474 0.199 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418951707 489802304 /nfs/dbraw/zinc/80/23/04/489802304.db2.gz JAENOHMMLBIPTC-CVEARBPZSA-N 2 0 368.522 0.504 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418971151 489808035 /nfs/dbraw/zinc/80/80/35/489808035.db2.gz XNEXTMWKLNTXJF-INIZCTEOSA-N 2 0 360.458 0.337 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459985445 489809571 /nfs/dbraw/zinc/80/95/71/489809571.db2.gz DMIWFMARXGTCKO-HOTGVXAUSA-N 2 0 352.523 0.975 20 0 FCADRP O=C(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000460004267 489815387 /nfs/dbraw/zinc/81/53/87/489815387.db2.gz AMJHTSMTKAZODW-IRXDYDNUSA-N 2 0 364.490 0.006 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000460008856 489816673 /nfs/dbraw/zinc/81/66/73/489816673.db2.gz FPRXVYITGAPVJF-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000419011260 489817149 /nfs/dbraw/zinc/81/71/49/489817149.db2.gz ZSZLJCLKLKHWMO-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419020433 489820816 /nfs/dbraw/zinc/82/08/16/489820816.db2.gz FTZPYEFDYBSUBD-GJZGRUSLSA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH+](C)CC1 ZINC000571030163 491281132 /nfs/dbraw/zinc/28/11/32/491281132.db2.gz AISYGLFPQOVTSS-KRWDZBQOSA-N 2 0 363.510 0.204 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419029837 489825038 /nfs/dbraw/zinc/82/50/38/489825038.db2.gz SKYJCDKWFGRKCD-XHSDSOJGSA-N 2 0 368.522 0.435 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419030255 489825760 /nfs/dbraw/zinc/82/57/60/489825760.db2.gz SVVMWUAXXBMADF-OVYGPGRDSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033683 489826050 /nfs/dbraw/zinc/82/60/50/489826050.db2.gz YPKFTTHTHCADDD-XHSDSOJGSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041381 489829194 /nfs/dbraw/zinc/82/91/94/489829194.db2.gz BTJIOPCDRNVLEB-WBVHZDCISA-N 2 0 364.490 0.005 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419037524 489829311 /nfs/dbraw/zinc/82/93/11/489829311.db2.gz DCEMTFZFIPPXLN-RDJZCZTQSA-N 2 0 368.522 0.626 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000419040089 489830498 /nfs/dbraw/zinc/83/04/98/489830498.db2.gz LUHFHKAAAMOBEZ-YVSFHVDLSA-N 2 0 366.506 0.060 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419041373 489831493 /nfs/dbraw/zinc/83/14/93/489831493.db2.gz YKAHGWNUQUDKPS-UHFFFAOYSA-N 2 0 356.536 0.580 20 0 FCADRP [NH3+]CCNC(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000419046250 489833216 /nfs/dbraw/zinc/83/32/16/489833216.db2.gz UYEHKKNDQYVCCC-UHFFFAOYSA-N 2 0 362.474 0.249 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419047653 489834103 /nfs/dbraw/zinc/83/41/03/489834103.db2.gz UALJTDDKPILIFW-NJAFHUGGSA-N 2 0 374.485 0.433 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419051309 489835832 /nfs/dbraw/zinc/83/58/32/489835832.db2.gz BANDWGVVRVOFBH-IAGOWNOFSA-N 2 0 362.474 0.057 20 0 FCADRP C[C@H]1C[N@H+](CCCNCc2cnc(N3CCN(C)CC3)nc2)CCCO1 ZINC000432362796 489838823 /nfs/dbraw/zinc/83/88/23/489838823.db2.gz PDJLFTNTGZBFAU-KRWDZBQOSA-N 3 0 362.522 0.819 20 0 FCADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1CCCCCC1 ZINC000432523446 489845384 /nfs/dbraw/zinc/84/53/84/489845384.db2.gz NHHJYLUXLGCFFK-SFHVURJKSA-N 2 0 354.539 0.757 20 0 FCADRP CCN1CCO[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367224 489845738 /nfs/dbraw/zinc/84/57/38/489845738.db2.gz FJZFTFGLNXFWJX-SFHVURJKSA-N 2 0 361.490 0.431 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000432533468 489846033 /nfs/dbraw/zinc/84/60/33/489846033.db2.gz CUFBHHMKFMQEQP-UHFFFAOYSA-N 2 0 362.518 0.868 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087550 489851555 /nfs/dbraw/zinc/85/15/55/489851555.db2.gz ZZJUYEXUXURQNO-DOTOQJQBSA-N 2 0 362.474 0.672 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419100810 489854696 /nfs/dbraw/zinc/85/46/96/489854696.db2.gz CALOOFIPMXEXBK-MLGOLLRUSA-N 2 0 350.438 0.760 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H](C)[NH2+]1 ZINC000419111404 489860086 /nfs/dbraw/zinc/86/00/86/489860086.db2.gz OOCJRSMQBPZWBH-STQMWFEESA-N 2 0 350.438 0.712 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000476041171 489863825 /nfs/dbraw/zinc/86/38/25/489863825.db2.gz LGFKQSGVQLRWIF-GOSISDBHSA-N 2 0 369.554 0.502 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCCCC1 ZINC000419121913 489866207 /nfs/dbraw/zinc/86/62/07/489866207.db2.gz FIUBETCURIFFNX-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000433116331 489866567 /nfs/dbraw/zinc/86/65/67/489866567.db2.gz KQQNPMLGDQMFEF-GOSISDBHSA-N 2 0 370.563 0.514 20 0 FCADRP CS(=O)(=O)Nc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433116031 489866641 /nfs/dbraw/zinc/86/66/41/489866641.db2.gz JWAORANMPBLZPB-UHFFFAOYSA-N 2 0 368.503 0.878 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000433139770 489867594 /nfs/dbraw/zinc/86/75/94/489867594.db2.gz YMHPPFBWTRKMLF-UHFFFAOYSA-N 2 0 364.494 0.091 20 0 FCADRP Cn1cc(N2CCC[C@H](NC(=O)CCC[NH+]3CCC([NH3+])CC3)C2=O)cn1 ZINC000433170152 489869986 /nfs/dbraw/zinc/86/99/86/489869986.db2.gz UPUHFBMENWGZRE-INIZCTEOSA-N 2 0 362.478 0.235 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419982269 489872306 /nfs/dbraw/zinc/87/23/06/489872306.db2.gz BCKZWMBXOVWDJJ-OAGGEKHMSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419991569 489874760 /nfs/dbraw/zinc/87/47/60/489874760.db2.gz KTACSJXTSURSGJ-GFCCVEGCSA-N 2 0 356.417 0.709 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000419992602 489875514 /nfs/dbraw/zinc/87/55/14/489875514.db2.gz LOOMSEHOLWLSQL-AWEZNQCLSA-N 2 0 350.463 0.439 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419993968 489875669 /nfs/dbraw/zinc/87/56/69/489875669.db2.gz KZURVQYXINDFQF-SOUVJXGZSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420008659 489879527 /nfs/dbraw/zinc/87/95/27/489879527.db2.gz DNGWVHBMILYCCH-MRXNPFEDSA-N 2 0 352.454 0.815 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420012954 489880479 /nfs/dbraw/zinc/88/04/79/489880479.db2.gz JKEVYAZGUMLWSF-HLLBOEOZSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420019471 489881983 /nfs/dbraw/zinc/88/19/83/489881983.db2.gz QZJDBMZJVSRVKR-XUWVNRHRSA-N 2 0 354.495 0.236 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420021827 489883438 /nfs/dbraw/zinc/88/34/38/489883438.db2.gz IRZFSHQSHQYTIK-SOUVJXGZSA-N 2 0 354.495 0.188 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420023852 489884465 /nfs/dbraw/zinc/88/44/65/489884465.db2.gz XREJYGKYQFFONR-BRWVUGGUSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420026218 489885344 /nfs/dbraw/zinc/88/53/44/489885344.db2.gz ZXDAUMISLZTCQQ-USXIJHARSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461228 489887309 /nfs/dbraw/zinc/88/73/09/489887309.db2.gz DHPKXOKOAWMERS-HZPDHXFCSA-N 2 0 369.510 0.126 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030663 489887267 /nfs/dbraw/zinc/88/72/67/489887267.db2.gz GPWDWFKXPXHSTG-TUVASFSCSA-N 2 0 354.495 0.452 20 0 FCADRP 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[C@@H]1C ZINC000420046833 489892679 /nfs/dbraw/zinc/89/26/79/489892679.db2.gz VWHQYEQZHBQIIZ-AJNGGQMLSA-N 2 0 354.495 0.547 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000420050429 489893764 /nfs/dbraw/zinc/89/37/64/489893764.db2.gz HEKKSMYWOXKHRX-NVXWUHKLSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000420051360 489894404 /nfs/dbraw/zinc/89/44/04/489894404.db2.gz DWHKTLUEOWXPNA-BFYDXBDKSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000420058066 489896366 /nfs/dbraw/zinc/89/63/66/489896366.db2.gz DTERSGAQZWVYMP-IRXDYDNUSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420060251 489898065 /nfs/dbraw/zinc/89/80/65/489898065.db2.gz KXEYHMSSCHLPSR-GOEBONIOSA-N 2 0 350.463 0.804 20 0 FCADRP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000420062290 489898643 /nfs/dbraw/zinc/89/86/43/489898643.db2.gz MEEUKICNDPPVQQ-GOSISDBHSA-N 2 0 358.486 0.963 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420083726 489906573 /nfs/dbraw/zinc/90/65/73/489906573.db2.gz UMRYCGKTSYTTKD-HNNXBMFYSA-N 2 0 367.538 0.247 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965683 491286356 /nfs/dbraw/zinc/28/63/56/491286356.db2.gz VITKTQTVSHUOJG-QGZVFWFLSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000420088453 489907191 /nfs/dbraw/zinc/90/71/91/489907191.db2.gz CENPNKQNPCGMLF-VQIMIIECSA-N 2 0 368.522 0.452 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088157 489907554 /nfs/dbraw/zinc/90/75/54/489907554.db2.gz HIQCOEIMJVDYFZ-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420090201 489908135 /nfs/dbraw/zinc/90/81/35/489908135.db2.gz KZQDRQNFWPXPEP-UHFFFAOYSA-N 2 0 368.428 0.853 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420103222 489912961 /nfs/dbraw/zinc/91/29/61/489912961.db2.gz OZXQQBMJFGPIKO-MRXNPFEDSA-N 2 0 356.470 0.850 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000461521860 489916172 /nfs/dbraw/zinc/91/61/72/489916172.db2.gz VWRSXNFTROJMOA-SFHVURJKSA-N 2 0 365.478 0.278 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576194 489924024 /nfs/dbraw/zinc/92/40/24/489924024.db2.gz AIMIIUIIRBVILA-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000477029926 489933450 /nfs/dbraw/zinc/93/34/50/489933450.db2.gz CSPABXSDCDFITK-OAHLLOKOSA-N 2 0 370.538 0.839 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477038178 489935521 /nfs/dbraw/zinc/93/55/21/489935521.db2.gz ZJDJXLLYPRKSMI-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420165567 489937603 /nfs/dbraw/zinc/93/76/03/489937603.db2.gz NQFDHBAAYMMDHH-FUHWJXTLSA-N 2 0 360.502 0.888 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172898 489939592 /nfs/dbraw/zinc/93/95/92/489939592.db2.gz WHNMRMBGGNTYQH-JKSUJKDBSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172897 489939994 /nfs/dbraw/zinc/93/99/94/489939994.db2.gz WHNMRMBGGNTYQH-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477093651 489941658 /nfs/dbraw/zinc/94/16/58/489941658.db2.gz DVHKXGSCHGPFIN-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420178052 489942382 /nfs/dbraw/zinc/94/23/82/489942382.db2.gz SYNYXWNDYKIWQZ-XHSDSOJGSA-N 2 0 368.522 0.496 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000420188618 489945967 /nfs/dbraw/zinc/94/59/67/489945967.db2.gz FOWCPQSNRLYKHS-GJZGRUSLSA-N 2 0 350.463 0.722 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190267 489946903 /nfs/dbraw/zinc/94/69/03/489946903.db2.gz PHXKDWDSRAHGOM-AWEZNQCLSA-N 2 0 368.503 0.133 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420198448 489949371 /nfs/dbraw/zinc/94/93/71/489949371.db2.gz CKFBDMHFCWAOOE-OVYGPGRDSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCCCC1 ZINC000420200769 489950522 /nfs/dbraw/zinc/95/05/22/489950522.db2.gz GOKRJWVPNUEVSE-LTIDMASMSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCN1CCOC ZINC000420212201 489953901 /nfs/dbraw/zinc/95/39/01/489953901.db2.gz TWNCYCMRAPRVRS-OWCLPIDISA-N 2 0 354.495 0.189 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420214338 489954515 /nfs/dbraw/zinc/95/45/15/489954515.db2.gz ZQYAFIQAJBQTFZ-KRWDZBQOSA-N 2 0 374.485 0.079 20 0 FCADRP CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)nc2)CC1 ZINC000420237987 489956880 /nfs/dbraw/zinc/95/68/80/489956880.db2.gz MVSQYJGXSDQMFA-ZIAGYGMSSA-N 2 0 353.492 0.700 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377806335 489960246 /nfs/dbraw/zinc/96/02/46/489960246.db2.gz DSQRCPCKXIGBCL-DLBZAZTESA-N 2 0 350.507 0.635 20 0 FCADRP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299036 489961298 /nfs/dbraw/zinc/96/12/98/489961298.db2.gz GDMROJIMIFUBJK-BVBHFADKSA-N 2 0 363.502 0.780 20 0 FCADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000420305649 489961648 /nfs/dbraw/zinc/96/16/48/489961648.db2.gz ZBKQUGHIKYTMDQ-ZWKOTPCHSA-N 3 0 360.502 0.881 20 0 FCADRP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333718 489963739 /nfs/dbraw/zinc/96/37/39/489963739.db2.gz SVEKELWCHJRXOG-CHWSQXEVSA-N 2 0 363.462 0.445 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000420336122 489964779 /nfs/dbraw/zinc/96/47/79/489964779.db2.gz VKRAGZHANADCAJ-AEFFLSMTSA-N 2 0 360.458 0.841 20 0 FCADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1ccc(Cl)cc1 ZINC000420348827 489965765 /nfs/dbraw/zinc/96/57/65/489965765.db2.gz MYXFMWBBJGGIAS-KRWDZBQOSA-N 2 0 350.894 0.978 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374766 489969900 /nfs/dbraw/zinc/96/99/00/489969900.db2.gz SJLIKEXXHAEMSI-QZTJIDSGSA-N 2 0 354.539 0.957 20 0 FCADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000420403068 489972247 /nfs/dbraw/zinc/97/22/47/489972247.db2.gz KACBKUZIAXYAFA-UHFFFAOYSA-N 2 0 350.438 0.260 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420407650 489972765 /nfs/dbraw/zinc/97/27/65/489972765.db2.gz UVVWYHSNHBQLMW-IUODEOHRSA-N 2 0 357.524 0.952 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420434703 489975719 /nfs/dbraw/zinc/97/57/19/489975719.db2.gz KWISSGFVVACSRZ-HNNXBMFYSA-N 2 0 357.524 0.857 20 0 FCADRP C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000462471681 489977801 /nfs/dbraw/zinc/97/78/01/489977801.db2.gz WPGRURPHFGBYQJ-CVEARBPZSA-N 2 0 364.556 0.546 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000420448988 489978855 /nfs/dbraw/zinc/97/88/55/489978855.db2.gz FKITYWOEJHYCKB-UHFFFAOYSA-N 2 0 354.476 0.650 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000477628075 489978944 /nfs/dbraw/zinc/97/89/44/489978944.db2.gz SAKVSPVFEAPPSP-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420467421 489981989 /nfs/dbraw/zinc/98/19/89/489981989.db2.gz XFJWTZUXAHJDJJ-LSDHHAIUSA-N 2 0 357.524 0.857 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000477647866 489982048 /nfs/dbraw/zinc/98/20/48/489982048.db2.gz SVCSJPOKMLVCNH-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420468927 489982785 /nfs/dbraw/zinc/98/27/85/489982785.db2.gz YJGYMBIMJPSTBS-WFASDCNBSA-N 2 0 357.524 0.809 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000477678788 489984348 /nfs/dbraw/zinc/98/43/48/489984348.db2.gz NWRHEHJIFFNEMN-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962008 489987902 /nfs/dbraw/zinc/98/79/02/489987902.db2.gz SRUQFWJVWUSVIB-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887231 489995021 /nfs/dbraw/zinc/99/50/21/489995021.db2.gz ACBYWBNZGKNXAA-VSZNYVQBSA-N 2 0 362.518 0.824 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000436512357 490008843 /nfs/dbraw/zinc/00/88/43/490008843.db2.gz MMSBGFSWLVKGEY-UHFFFAOYSA-N 2 0 368.522 0.995 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)onc1N ZINC000439164515 490038713 /nfs/dbraw/zinc/03/87/13/490038713.db2.gz BXNWKMNGZGBQSE-ZDUSSCGKSA-N 2 0 359.496 0.602 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000441663247 490055474 /nfs/dbraw/zinc/05/54/74/490055474.db2.gz LNWOLEMRDXVBBC-UHFFFAOYSA-N 2 0 351.499 0.592 20 0 FCADRP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058088 490065833 /nfs/dbraw/zinc/06/58/33/490065833.db2.gz JDKPKBHGUZXPTQ-CYBMUJFWSA-N 2 0 366.487 0.284 20 0 FCADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000443057439 490065855 /nfs/dbraw/zinc/06/58/55/490065855.db2.gz GOYHCLZXMLKMKJ-MRXNPFEDSA-N 2 0 350.507 0.908 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202475 490073903 /nfs/dbraw/zinc/07/39/03/490073903.db2.gz QMJSEAFCDAZVRE-GOEBONIOSA-N 2 0 350.438 0.572 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506396459 490085599 /nfs/dbraw/zinc/08/55/99/490085599.db2.gz CFJIYPIIRBLODS-MRXNPFEDSA-N 2 0 372.513 0.754 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815854 490088808 /nfs/dbraw/zinc/08/88/08/490088808.db2.gz YMWMXRBUPFWSED-CVEARBPZSA-N 2 0 365.522 0.713 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000532672971 490094136 /nfs/dbraw/zinc/09/41/36/490094136.db2.gz BMEMFSPZFHJIBP-MOPGFXCFSA-N 2 0 366.550 0.898 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677476 490125339 /nfs/dbraw/zinc/12/53/39/490125339.db2.gz CPIQACGNTQKIFU-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCN1CCSCC1)C(C)(C)C ZINC000479886243 490133143 /nfs/dbraw/zinc/13/31/43/490133143.db2.gz JGRGFLAKIHCECB-CQSZACIVSA-N 2 0 358.552 0.634 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000465864951 490149927 /nfs/dbraw/zinc/14/99/27/490149927.db2.gz RUUKBDSWMSNARO-UHFFFAOYSA-N 2 0 356.511 0.899 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000465950501 490155466 /nfs/dbraw/zinc/15/54/66/490155466.db2.gz OTGKMFGZCROFOW-ROUUACIJSA-N 3 0 369.554 0.765 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000465949290 490155999 /nfs/dbraw/zinc/15/59/99/490155999.db2.gz DOAHFWKEMNJJMH-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950512 490156577 /nfs/dbraw/zinc/15/65/77/490156577.db2.gz OVHHTSFXZKVBGV-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000520695002 490180324 /nfs/dbraw/zinc/18/03/24/490180324.db2.gz KDHAXYAFLJSWKJ-FAJBIJEISA-N 2 0 357.539 0.481 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770596 490188201 /nfs/dbraw/zinc/18/82/01/490188201.db2.gz JSMUVPLTLLUKPA-MSOLQXFVSA-N 2 0 373.501 0.750 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)NC3C[NH2+]C3)CC2)c1 ZINC000520774585 490189960 /nfs/dbraw/zinc/18/99/60/490189960.db2.gz ZIICWBSPLQPGNF-UHFFFAOYSA-N 2 0 373.501 0.101 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000497685978 490192806 /nfs/dbraw/zinc/19/28/06/490192806.db2.gz FHTMSHLWDOHLDV-BRWVUGGUSA-N 2 0 365.522 0.665 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000497707404 490198414 /nfs/dbraw/zinc/19/84/14/490198414.db2.gz ZFWOMRDNNJOOKM-UHFFFAOYSA-N 2 0 369.554 0.766 20 0 FCADRP Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000564448292 491307540 /nfs/dbraw/zinc/30/75/40/491307540.db2.gz LLGWIGBIMMBCBM-MRXNPFEDSA-N 2 0 364.494 0.334 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000497778052 490213868 /nfs/dbraw/zinc/21/38/68/490213868.db2.gz XLQUSEBJHPYNNU-INIZCTEOSA-N 2 0 355.504 0.907 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000480621126 490218149 /nfs/dbraw/zinc/21/81/49/490218149.db2.gz IWGOTJPCRGBIQI-HNNXBMFYSA-N 2 0 357.520 0.815 20 0 FCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000497852710 490222922 /nfs/dbraw/zinc/22/29/22/490222922.db2.gz KVCQMPDNNWOGQX-IKGGRYGDSA-N 2 0 365.522 0.842 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000521174261 490232202 /nfs/dbraw/zinc/23/22/02/490232202.db2.gz ZJQZTANWWXLHCP-GOSISDBHSA-N 2 0 356.474 0.976 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000521231468 490238617 /nfs/dbraw/zinc/23/86/17/490238617.db2.gz NWLWKKBRHIVUIR-HNNXBMFYSA-N 2 0 362.478 0.405 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)CSCC(=O)N(C)CC[NH+]1CCCC1 ZINC000533811504 490284844 /nfs/dbraw/zinc/28/48/44/490284844.db2.gz FJMFKPBBPRUAKW-UHFFFAOYSA-N 2 0 370.563 0.828 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000557381367 491371346 /nfs/dbraw/zinc/37/13/46/491371346.db2.gz OTSYMPBVYKBRNW-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CO[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000522061027 490336893 /nfs/dbraw/zinc/33/68/93/490336893.db2.gz UENKRYWTKKKJCO-SJORKVTESA-N 2 0 361.490 0.558 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483753301 490343003 /nfs/dbraw/zinc/34/30/03/490343003.db2.gz YZTOFMPXPUEWAM-QGZVFWFLSA-N 2 0 369.554 0.765 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000422485672 490350901 /nfs/dbraw/zinc/35/09/01/490350901.db2.gz FJABGSRVZFQFHZ-IRXDYDNUSA-N 2 0 350.507 0.779 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000422493670 490359569 /nfs/dbraw/zinc/35/95/69/490359569.db2.gz YVVUJGFALXYQPF-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000422497013 490360962 /nfs/dbraw/zinc/36/09/62/490360962.db2.gz UYLXPNDSBULAGX-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289279 490366324 /nfs/dbraw/zinc/36/63/24/490366324.db2.gz ANDOFEQBJDHTEC-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289278 490366940 /nfs/dbraw/zinc/36/69/40/490366940.db2.gz ANDOFEQBJDHTEC-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000498965913 490373811 /nfs/dbraw/zinc/37/38/11/490373811.db2.gz YJTMFXJUMCXCNQ-UHFFFAOYSA-N 2 0 362.474 0.938 20 0 FCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000498966766 490374334 /nfs/dbraw/zinc/37/43/34/490374334.db2.gz FKOMTHUODDTRIO-ZWKOTPCHSA-N 2 0 369.554 0.501 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000484161846 490391081 /nfs/dbraw/zinc/39/10/81/490391081.db2.gz MWEILJZGJMMXMV-DOTOQJQBSA-N 2 0 368.522 0.281 20 0 FCADRP CC[NH+](C)CCNC(=O)[C@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342646 490391397 /nfs/dbraw/zinc/39/13/97/490391397.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1CC(=O)C[C@@H](C(=O)N(C)CC[NH+](C)C)[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000468344990 490391674 /nfs/dbraw/zinc/39/16/74/490391674.db2.gz ZJEQVLDGWFTNAK-OIISXLGYSA-N 2 0 368.522 0.258 20 0 FCADRP Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556620383 491323356 /nfs/dbraw/zinc/32/33/56/491323356.db2.gz YZBGXERTCHOZSN-QGZVFWFLSA-N 2 0 362.518 0.994 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739115 491324250 /nfs/dbraw/zinc/32/42/50/491324250.db2.gz BHGVUVJPFWASBD-RCCFBDPRSA-N 2 0 371.485 0.462 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723287 491325094 /nfs/dbraw/zinc/32/50/94/491325094.db2.gz FJYCDODNBZZQOC-MRXNPFEDSA-N 2 0 355.504 0.835 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000523000980 490426925 /nfs/dbraw/zinc/42/69/25/490426925.db2.gz HSUTUFDXEWQODO-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000422610815 490427933 /nfs/dbraw/zinc/42/79/33/490427933.db2.gz QUPFUSBEOHAWEG-JXQTWKCFSA-N 2 0 365.444 0.995 20 0 FCADRP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2[C@H](C(=O)NC[C@H]3CC[N@@H+](CC)C3)[C@H]2C)C1 ZINC000449814308 490428041 /nfs/dbraw/zinc/42/80/41/490428041.db2.gz KKDMILJYWYGJJL-UYTYNIKBSA-N 2 0 364.534 0.785 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000450133874 490444694 /nfs/dbraw/zinc/44/46/94/490444694.db2.gz MXDRLWZTQUFOKI-RDJZCZTQSA-N 2 0 365.474 0.895 20 0 FCADRP CCC[NH+]1CCN(c2nc(NC)nc(N3CC[NH+](CCC)CC3)n2)CC1 ZINC000509727665 490457834 /nfs/dbraw/zinc/45/78/34/490457834.db2.gz FRUZGESSGIIVBQ-UHFFFAOYSA-N 2 0 362.526 0.399 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000509739908 490459480 /nfs/dbraw/zinc/45/94/80/490459480.db2.gz WTBNCDZUMCDHCY-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)N1CCOCC1 ZINC000411475504 490469195 /nfs/dbraw/zinc/46/91/95/490469195.db2.gz SHRFDQBIJJXCQU-SFHVURJKSA-N 2 0 368.522 0.448 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccc(F)cc1 ZINC000571778351 491328801 /nfs/dbraw/zinc/32/88/01/491328801.db2.gz JVFGESOPPMWSKQ-JKSUJKDBSA-N 2 0 363.437 0.211 20 0 FCADRP CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523630537 490480114 /nfs/dbraw/zinc/48/01/14/490480114.db2.gz SFVLXMDDJRNVIS-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)CC[NH2+]CC1 ZINC000422848830 490484393 /nfs/dbraw/zinc/48/43/93/490484393.db2.gz KOZXXQBQJZWGJE-HOTGVXAUSA-N 2 0 369.506 0.781 20 0 FCADRP C[NH+]1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693095 490486326 /nfs/dbraw/zinc/48/63/26/490486326.db2.gz VDDVHAMBFNXAJB-NWDGAFQWSA-N 2 0 351.476 0.601 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413173884 490499530 /nfs/dbraw/zinc/49/95/30/490499530.db2.gz HOSSUDVBCVQZQU-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856168 491331851 /nfs/dbraw/zinc/33/18/51/491331851.db2.gz VZHFUDKWIZBNJJ-NCXUSEDFSA-N 2 0 356.555 0.318 20 0 FCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423019612 490521285 /nfs/dbraw/zinc/52/12/85/490521285.db2.gz WMMXMVPKKJHLSS-CQSZACIVSA-N 2 0 352.504 0.978 20 0 FCADRP C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025391 490522589 /nfs/dbraw/zinc/52/25/89/490522589.db2.gz LRBADIKGYDSGRS-WDSOQIARSA-N 2 0 362.518 0.632 20 0 FCADRP [NH3+]CC1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000423039710 490527474 /nfs/dbraw/zinc/52/74/74/490527474.db2.gz REINHFHHYAXDQX-UHFFFAOYSA-N 2 0 358.486 0.918 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423054028 490530173 /nfs/dbraw/zinc/53/01/73/490530173.db2.gz BIJWTIIZPADESV-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP COc1ccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000564894699 491333795 /nfs/dbraw/zinc/33/37/95/491333795.db2.gz PYXUCWDWBLFVSA-QZTJIDSGSA-N 2 0 374.485 0.817 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000485499881 490536101 /nfs/dbraw/zinc/53/61/01/490536101.db2.gz DRDOKNWBPRLWDV-GJZGRUSLSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000485808669 490560077 /nfs/dbraw/zinc/56/00/77/490560077.db2.gz CIFPJDZLQXQFGQ-GFCCVEGCSA-N 2 0 356.430 0.899 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000500957084 490564131 /nfs/dbraw/zinc/56/41/31/490564131.db2.gz XMMSJIUXMABOKA-GOSISDBHSA-N 2 0 365.566 0.687 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000564911546 491336188 /nfs/dbraw/zinc/33/61/88/491336188.db2.gz ZAJZXNOXSHXWBA-SFHVURJKSA-N 2 0 358.486 0.678 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(F)cc1 ZINC000571897907 491336379 /nfs/dbraw/zinc/33/63/79/491336379.db2.gz ZEPLXTWHSBEDBW-ARFHVFGLSA-N 2 0 363.437 0.382 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000564922547 491337048 /nfs/dbraw/zinc/33/70/48/491337048.db2.gz XEDQQCSSKAWJFO-ROUUACIJSA-N 2 0 358.486 0.535 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000525305982 490594905 /nfs/dbraw/zinc/59/49/05/490594905.db2.gz XCIWUCRZEPNOTH-KRWDZBQOSA-N 3 0 356.559 0.005 20 0 FCADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000525305983 490594976 /nfs/dbraw/zinc/59/49/76/490594976.db2.gz XCIWUCRZEPNOTH-QGZVFWFLSA-N 3 0 356.559 0.005 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000525302923 490595503 /nfs/dbraw/zinc/59/55/03/490595503.db2.gz ZNBLNHXGFUFVRZ-IAGOWNOFSA-N 2 0 365.522 0.844 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000486326636 490610513 /nfs/dbraw/zinc/61/05/13/490610513.db2.gz NWWQYJPXXKLHFO-CABCVRRESA-N 2 0 362.478 0.125 20 0 FCADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686643 490620065 /nfs/dbraw/zinc/62/00/65/490620065.db2.gz XTMKGRAHNAZXQM-MRXNPFEDSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688395 490621247 /nfs/dbraw/zinc/62/12/47/490621247.db2.gz BZLAYWPLYQOGNW-CVEARBPZSA-N 2 0 364.490 0.304 20 0 FCADRP CCC[C@@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000501607181 490622480 /nfs/dbraw/zinc/62/24/80/490622480.db2.gz ZQWMGVYQPMJKIJ-GOSISDBHSA-N 2 0 354.539 0.973 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619631 490624853 /nfs/dbraw/zinc/62/48/53/490624853.db2.gz CQXMJFJLEKSDGB-QGPMSJSTSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)(N2CCOCC2)CC1 ZINC000556849162 491340937 /nfs/dbraw/zinc/34/09/37/491340937.db2.gz JJDICZJUBMWWAM-INIZCTEOSA-N 2 0 365.522 0.319 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC000486444960 490626321 /nfs/dbraw/zinc/62/63/21/490626321.db2.gz XWAWYENJFIYVCG-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122045 490626797 /nfs/dbraw/zinc/62/67/97/490626797.db2.gz ONZRCHKSDZJROY-RDTXWAMCSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635903 490627530 /nfs/dbraw/zinc/62/75/30/490627530.db2.gz GVRXVVFZFNJFMG-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501637638 490629845 /nfs/dbraw/zinc/62/98/45/490629845.db2.gz JFGINNWDLIUSEJ-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638723 490629868 /nfs/dbraw/zinc/62/98/68/490629868.db2.gz LGPKHBQMGHGKBE-KURKYZTESA-N 2 0 362.518 0.920 20 0 FCADRP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486492496 490640096 /nfs/dbraw/zinc/64/00/96/490640096.db2.gz DTUHZQAGUIXKNX-RGQDEETRSA-N 2 0 368.522 0.019 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)c1 ZINC000564979134 491342396 /nfs/dbraw/zinc/34/23/96/491342396.db2.gz ISLWYBOIFZMWRQ-ZENOOKHLSA-N 2 0 350.463 0.656 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000572013087 491342864 /nfs/dbraw/zinc/34/28/64/491342864.db2.gz GJEGIGQDLCCTKI-INIZCTEOSA-N 2 0 370.457 0.483 20 0 FCADRP COC(=O)c1ccccc1NC(=O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000564985715 491343413 /nfs/dbraw/zinc/34/34/13/491343413.db2.gz KWKAUCWOADIOBZ-AWEZNQCLSA-N 2 0 374.441 0.308 20 0 FCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC(C)CC1 ZINC000512243132 490667077 /nfs/dbraw/zinc/66/70/77/490667077.db2.gz OIMGMMIDDHCYBB-SFHVURJKSA-N 2 0 354.539 0.613 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465090 490671736 /nfs/dbraw/zinc/67/17/36/490671736.db2.gz XNTNTBFPNILNOG-NVXWUHKLSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292992 490672025 /nfs/dbraw/zinc/67/20/25/490672025.db2.gz CRGQVXFQHUQGBJ-CYBMUJFWSA-N 2 0 354.476 0.546 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486807606 490673309 /nfs/dbraw/zinc/67/33/09/490673309.db2.gz ICOADIYTCKXIEZ-KKFZBWNWSA-N 2 0 364.534 0.925 20 0 FCADRP C[C@H](CS(C)(=O)=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000537487063 490679526 /nfs/dbraw/zinc/67/95/26/490679526.db2.gz HCXFYGHCQDDJGS-ZBFHGGJFSA-N 2 0 355.504 0.298 20 0 FCADRP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000565096000 491353141 /nfs/dbraw/zinc/35/31/41/491353141.db2.gz FGPODLNXNXUAHK-LBPRGKRZSA-N 2 0 354.476 0.722 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000527230369 490710587 /nfs/dbraw/zinc/71/05/87/490710587.db2.gz XSZYERDFIQAHOI-GOSISDBHSA-N 2 0 352.523 0.774 20 0 FCADRP COc1c(F)cc(F)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527374187 490720466 /nfs/dbraw/zinc/72/04/66/490720466.db2.gz XRBWAXVNYAOAFE-UHFFFAOYSA-N 2 0 372.416 0.864 20 0 FCADRP Cc1cc(N2CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2)n[nH]1 ZINC000527380456 490721544 /nfs/dbraw/zinc/72/15/44/490721544.db2.gz KMIIAYBVFZXSTP-UHFFFAOYSA-N 2 0 365.526 0.822 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000557084230 491352370 /nfs/dbraw/zinc/35/23/70/491352370.db2.gz NNYIUTBRBIRXQN-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)C[C@H](C)O1 ZINC000514668236 490779689 /nfs/dbraw/zinc/77/96/89/490779689.db2.gz AUPMNLOJJHTMDP-MJBXVCDLSA-N 2 0 371.428 0.754 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000514816672 490790593 /nfs/dbraw/zinc/79/05/93/490790593.db2.gz LHOYKRGTUSEQKS-YQFWSFKMSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156136 491356205 /nfs/dbraw/zinc/35/62/05/491356205.db2.gz IEELOITYNQCWHS-HIFRSBDPSA-N 2 0 368.503 0.194 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC(=O)N2CC[NH2+]CC2)o1 ZINC000515223406 490814025 /nfs/dbraw/zinc/81/40/25/490814025.db2.gz NQNWQNZHNAUCDX-UHFFFAOYSA-N 2 0 351.451 0.093 20 0 FCADRP O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000515413389 490825025 /nfs/dbraw/zinc/82/50/25/490825025.db2.gz JUHSSVYPQUTMDU-FGTMMUONSA-N 2 0 360.502 0.840 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672707 490835145 /nfs/dbraw/zinc/83/51/45/490835145.db2.gz JEHVNLKEEHHRDX-KZNAEPCWSA-N 2 0 371.485 0.777 20 0 FCADRP O=S1(=O)CCCN1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506034688 490849167 /nfs/dbraw/zinc/84/91/67/490849167.db2.gz AFJASIQQZXYCKF-UHFFFAOYSA-N 2 0 359.536 0.846 20 0 FCADRP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000557248930 491361632 /nfs/dbraw/zinc/36/16/32/491361632.db2.gz SXCVVRZJWBFVOM-UHFFFAOYSA-N 2 0 372.513 0.926 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000529374290 490857050 /nfs/dbraw/zinc/85/70/50/490857050.db2.gz DXPQCXRGWVAICY-RCCFBDPRSA-N 2 0 362.474 0.157 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207292 490857095 /nfs/dbraw/zinc/85/70/95/490857095.db2.gz MSHUZCGXGSYJKD-SJORKVTESA-N 2 0 366.506 0.300 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000529377339 490858483 /nfs/dbraw/zinc/85/84/83/490858483.db2.gz VDYLOJMGHQZWLK-KURKYZTESA-N 2 0 362.474 0.157 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000529377922 490858606 /nfs/dbraw/zinc/85/86/06/490858606.db2.gz HXKIPTAFLZSFDJ-BFYDXBDKSA-N 2 0 354.495 0.506 20 0 FCADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000516554798 490867854 /nfs/dbraw/zinc/86/78/54/490867854.db2.gz LXXQZAVOBQTEHB-UHFFFAOYSA-N 2 0 353.511 0.762 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516569596 490868914 /nfs/dbraw/zinc/86/89/14/490868914.db2.gz VXSIMRHIQUBHGK-MRXNPFEDSA-N 2 0 355.508 0.436 20 0 FCADRP C[NH+](C)CC1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC1 ZINC000541839710 490875041 /nfs/dbraw/zinc/87/50/41/490875041.db2.gz UFBRHZGNVABINE-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000557261489 491363461 /nfs/dbraw/zinc/36/34/61/491363461.db2.gz MBHXSJPBZAQEGB-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760116 490876834 /nfs/dbraw/zinc/87/68/34/490876834.db2.gz WAAMYEIKWWKMAJ-WMZOPIPTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000542180840 490888458 /nfs/dbraw/zinc/88/84/58/490888458.db2.gz JVHVSBZFPYZZBQ-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517059594 490893377 /nfs/dbraw/zinc/89/33/77/490893377.db2.gz WGLOTFUUSCVPOQ-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP COCCc1noc(CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000530231635 490894723 /nfs/dbraw/zinc/89/47/23/490894723.db2.gz SBZSQDNRYLVPGN-UHFFFAOYSA-N 2 0 365.478 0.335 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243391 490894944 /nfs/dbraw/zinc/89/49/44/490894944.db2.gz XSUBYMOWFIUEMG-AEFFLSMTSA-N 2 0 352.523 0.630 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517145877 490896859 /nfs/dbraw/zinc/89/68/59/490896859.db2.gz XQUUODVMWJVBRC-UHFFFAOYSA-N 2 0 356.511 0.899 20 0 FCADRP COC[C@]1(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000517238472 490900598 /nfs/dbraw/zinc/90/05/98/490900598.db2.gz IRURWQDHDJDOEX-HXUWFJFHSA-N 2 0 360.502 0.932 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)ccc21 ZINC000565237009 491363515 /nfs/dbraw/zinc/36/35/15/491363515.db2.gz OTBPFAQCPDULII-JKSUJKDBSA-N 2 0 355.442 0.374 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000542777820 490908557 /nfs/dbraw/zinc/90/85/57/490908557.db2.gz CCWGOKQUBDSPMG-RDJZCZTQSA-N 2 0 365.522 0.665 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000517703895 490917241 /nfs/dbraw/zinc/91/72/41/490917241.db2.gz VLIRTWVLKUAKMK-IAGOWNOFSA-N 2 0 365.522 0.666 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)N(C)C ZINC000517885081 490924050 /nfs/dbraw/zinc/92/40/50/490924050.db2.gz UZTUAMCYAHPPAJ-GDBMZVCRSA-N 2 0 350.463 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000517918512 490924370 /nfs/dbraw/zinc/92/43/70/490924370.db2.gz VBJDCIXAHGSBFE-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000565253878 491366115 /nfs/dbraw/zinc/36/61/15/491366115.db2.gz KLTIVABAYLTWBD-KFWWJZLASA-N 2 0 351.495 0.450 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000544008103 490954988 /nfs/dbraw/zinc/95/49/88/490954988.db2.gz LTDSBYSJZKRVBX-INIZCTEOSA-N 2 0 353.511 0.701 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000673484467 493334680 /nfs/dbraw/zinc/33/46/80/493334680.db2.gz WZEYFFCVQGGJDD-NRFANRHFSA-N 2 0 372.513 0.772 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000519690934 490984319 /nfs/dbraw/zinc/98/43/19/490984319.db2.gz PTNHFOVNPKKDGQ-HIFRSBDPSA-N 2 0 372.477 0.712 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000532399247 490992304 /nfs/dbraw/zinc/99/23/04/490992304.db2.gz IIOBABVSZKQYGJ-UHFFFAOYSA-N 2 0 352.483 0.459 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018329 491956795 /nfs/dbraw/zinc/95/67/95/491956795.db2.gz ACKBACGUQXLNOM-GOEBONIOSA-N 2 0 367.490 0.677 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC1 ZINC000569483368 491163830 /nfs/dbraw/zinc/16/38/30/491163830.db2.gz HLNZBGGSOSMNFG-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000553996420 491168275 /nfs/dbraw/zinc/16/82/75/491168275.db2.gz IBIBXCRUTBQQHG-DQIHPLBOSA-N 2 0 365.522 0.852 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1(C)C ZINC000569719466 491185296 /nfs/dbraw/zinc/18/52/96/491185296.db2.gz BPQRCWSCNCKJOR-GPMSIDNRSA-N 2 0 352.523 0.757 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000565372718 491373238 /nfs/dbraw/zinc/37/32/38/491373238.db2.gz NDRMRMZTRJYIEG-ZTFGCOKTSA-N 2 0 371.485 0.387 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572527491 491376857 /nfs/dbraw/zinc/37/68/57/491376857.db2.gz YEROKRKZYBTJKY-HNNXBMFYSA-N 2 0 362.478 0.737 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000557487545 491377426 /nfs/dbraw/zinc/37/74/26/491377426.db2.gz ABIFRTYUPVVBPT-HNNXBMFYSA-N 2 0 370.538 0.696 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000557500929 491379172 /nfs/dbraw/zinc/37/91/72/491379172.db2.gz OOLUEWOLTVLJSS-DLBZAZTESA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000557558049 491382163 /nfs/dbraw/zinc/38/21/63/491382163.db2.gz CKVJQTRDMGDJMK-OAHLLOKOSA-N 2 0 368.522 0.591 20 0 FCADRP CC[C@@H]1C[NH+](C)CCN1C(=O)CC(O)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000572634521 491383110 /nfs/dbraw/zinc/38/31/10/491383110.db2.gz VMDAMNUECBXNQP-HZPDHXFCSA-N 2 0 368.522 0.233 20 0 FCADRP COc1cnc(NC[C@@H]2CCC[N@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573477 491384570 /nfs/dbraw/zinc/38/45/70/491384570.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 2 0 362.522 0.836 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000565610664 491389019 /nfs/dbraw/zinc/38/90/19/491389019.db2.gz XXPHKOLITBOPFF-HNNXBMFYSA-N 2 0 353.511 0.713 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742102 491395316 /nfs/dbraw/zinc/39/53/16/491395316.db2.gz JPFZZJRJDMYFAE-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751273 491396063 /nfs/dbraw/zinc/39/60/63/491396063.db2.gz RCVYZQAVQOJELS-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845402 491397070 /nfs/dbraw/zinc/39/70/70/491397070.db2.gz QNUPHNFJHIZAIC-IXDOHACOSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000572862475 491398625 /nfs/dbraw/zinc/39/86/25/491398625.db2.gz HXGSZWQZZFLICY-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000572897666 491400523 /nfs/dbraw/zinc/40/05/23/491400523.db2.gz RNUIGPJBKFPMMF-MRXNPFEDSA-N 2 0 350.511 0.448 20 0 FCADRP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000573075274 491410505 /nfs/dbraw/zinc/41/05/05/491410505.db2.gz UIONKRGDZUIQCU-QLFBSQMISA-N 2 0 371.489 0.988 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H](C)C1 ZINC000573102917 491413239 /nfs/dbraw/zinc/41/32/39/491413239.db2.gz RBSNOBZYFHYIMY-CVEARBPZSA-N 2 0 356.511 0.260 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000558105941 491414354 /nfs/dbraw/zinc/41/43/54/491414354.db2.gz ZBIFFGNXBBDCPA-XIRDDKMYSA-N 2 0 368.522 0.327 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000573141182 491415878 /nfs/dbraw/zinc/41/58/78/491415878.db2.gz VGMDRAMOABWDQU-UHFFFAOYSA-N 2 0 371.526 0.197 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000558135360 491415993 /nfs/dbraw/zinc/41/59/93/491415993.db2.gz LTOWVVUMISHIDR-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368566 493341807 /nfs/dbraw/zinc/34/18/07/493341807.db2.gz BNLRTJXIJUEMLX-ROUUACIJSA-N 2 0 360.502 0.876 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc(CN2CCOCC2)c1 ZINC000566171683 491422557 /nfs/dbraw/zinc/42/25/57/491422557.db2.gz KBHDLECVVNXHHS-KRWDZBQOSA-N 2 0 360.458 0.003 20 0 FCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346210 491428024 /nfs/dbraw/zinc/42/80/24/491428024.db2.gz BBKPWGVGOJFJJQ-KGLIPLIRSA-N 2 0 365.444 0.948 20 0 FCADRP [NH3+]CC1(O)CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000573443548 491433764 /nfs/dbraw/zinc/43/37/64/491433764.db2.gz URJSBRDBSKDIJE-UHFFFAOYSA-N 2 0 360.502 0.901 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000573490349 491436938 /nfs/dbraw/zinc/43/69/38/491436938.db2.gz MLMOGFOPYJKYGG-KGLIPLIRSA-N 2 0 352.454 0.958 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000573547199 491439833 /nfs/dbraw/zinc/43/98/33/491439833.db2.gz XQPIDOOFYBBIFC-ATZDWAIDSA-N 2 0 372.513 0.874 20 0 FCADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000573569074 491441138 /nfs/dbraw/zinc/44/11/38/491441138.db2.gz JCLOKDPNPXTWOH-YSVLISHTSA-N 2 0 351.472 0.866 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566575714 491454444 /nfs/dbraw/zinc/45/44/44/491454444.db2.gz FRTRYZGBJPOJIR-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000566751486 491464857 /nfs/dbraw/zinc/46/48/57/491464857.db2.gz UBOMBHLHWLOLEN-HLLBOEOZSA-N 2 0 366.506 0.201 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cn1 ZINC000573962750 491466035 /nfs/dbraw/zinc/46/60/35/491466035.db2.gz NUFYPNIVXIZXEM-KRWDZBQOSA-N 2 0 372.473 0.980 20 0 FCADRP CC[C@H]1CN(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000566787010 491466759 /nfs/dbraw/zinc/46/67/59/491466759.db2.gz QILNPKTXZMJAAY-ABHNRTSZSA-N 2 0 367.538 0.613 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000559387668 491469605 /nfs/dbraw/zinc/46/96/05/491469605.db2.gz JXKNTHZNENQGOE-UHFFFAOYSA-N 2 0 368.547 0.675 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000559385588 491469737 /nfs/dbraw/zinc/46/97/37/491469737.db2.gz VJVODJWWDFWDCI-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000566858841 491471694 /nfs/dbraw/zinc/47/16/94/491471694.db2.gz AVDBZPDHKOHCCV-KRWDZBQOSA-N 2 0 370.444 0.955 20 0 FCADRP C[N@H+](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000566912936 491474801 /nfs/dbraw/zinc/47/48/01/491474801.db2.gz NCUCWSMWVCZOHE-MRXNPFEDSA-N 2 0 350.438 0.632 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339805 491490304 /nfs/dbraw/zinc/49/03/04/491490304.db2.gz VYKHAWDRZRPJGL-FXAWDEMLSA-N 2 0 374.485 0.886 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000574386428 491492396 /nfs/dbraw/zinc/49/23/96/491492396.db2.gz WEDYJXFZGXGEEN-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398048 491493535 /nfs/dbraw/zinc/49/35/35/491493535.db2.gz ZJHXEBRFBQGVCR-HOTGVXAUSA-N 2 0 363.510 0.034 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000574446540 491497299 /nfs/dbraw/zinc/49/72/99/491497299.db2.gz FBODPZFYGQPGIM-HOTGVXAUSA-N 2 0 355.527 0.957 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000559763624 491497433 /nfs/dbraw/zinc/49/74/33/491497433.db2.gz QUOKPPUAGSKDIS-DLBZAZTESA-N 2 0 352.523 0.929 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@H]2C1 ZINC000567303119 491498569 /nfs/dbraw/zinc/49/85/69/491498569.db2.gz IOHCFKHEPBADDI-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466452 491499219 /nfs/dbraw/zinc/49/92/19/491499219.db2.gz GRUQHKHRPXWEDX-ROUUACIJSA-N 2 0 371.485 0.736 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000567368993 491502648 /nfs/dbraw/zinc/50/26/48/491502648.db2.gz NSUWCMXVHCPQQS-QKPAOTATSA-N 2 0 365.522 0.696 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000559863928 491505635 /nfs/dbraw/zinc/50/56/35/491505635.db2.gz WLFMYYZBNIMSQQ-QGZVFWFLSA-N 2 0 356.536 0.388 20 0 FCADRP O[C@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)Cn1cccn1 ZINC000567679703 491522464 /nfs/dbraw/zinc/52/24/64/491522464.db2.gz CRVOOMDMEHZXFU-QGZVFWFLSA-N 2 0 359.478 0.226 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)cn2)CC1 ZINC000567714308 491524799 /nfs/dbraw/zinc/52/47/99/491524799.db2.gz VYMUSACDKNTITL-QZTJIDSGSA-N 2 0 372.517 0.974 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567735717 491526029 /nfs/dbraw/zinc/52/60/29/491526029.db2.gz QREKHGNARIOBHR-RCCFBDPRSA-N 2 0 358.486 0.950 20 0 FCADRP O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567754341 491527425 /nfs/dbraw/zinc/52/74/25/491527425.db2.gz IGSIBLIRIYJTFV-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000574987072 491531633 /nfs/dbraw/zinc/53/16/33/491531633.db2.gz DCHQDWWKUIIOEF-UHFFFAOYSA-N 2 0 351.499 0.020 20 0 FCADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000575026712 491534400 /nfs/dbraw/zinc/53/44/00/491534400.db2.gz RKCVDONIDQCMAA-QAPCUYQASA-N 2 0 361.490 0.717 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000575178119 491543578 /nfs/dbraw/zinc/54/35/78/491543578.db2.gz JKTHOOLTDBGTGG-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000575243554 491547401 /nfs/dbraw/zinc/54/74/01/491547401.db2.gz LJBNHDHEFOWVQC-GBESFXJTSA-N 2 0 370.497 0.774 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000560637499 491548163 /nfs/dbraw/zinc/54/81/63/491548163.db2.gz RCHNSKYMPMOBRG-KRWDZBQOSA-N 3 0 367.538 0.025 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000560664226 491550933 /nfs/dbraw/zinc/55/09/33/491550933.db2.gz ZKRCAFFLOQKUHA-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560727504 491553844 /nfs/dbraw/zinc/55/38/44/491553844.db2.gz FLRAINRWVZLQTK-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC(C)CC1 ZINC000560763090 491555457 /nfs/dbraw/zinc/55/54/57/491555457.db2.gz LOESDANNJKWLQI-CVEARBPZSA-N 2 0 350.507 0.990 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000575733577 491556925 /nfs/dbraw/zinc/55/69/25/491556925.db2.gz CGLNKSGWBQAHLN-QGZVFWFLSA-N 2 0 363.506 0.492 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000560932616 491565469 /nfs/dbraw/zinc/56/54/69/491565469.db2.gz JRMQAMALXHTISJ-GGPKGHCWSA-N 2 0 369.550 0.891 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288176 491566848 /nfs/dbraw/zinc/56/68/48/491566848.db2.gz WDONRKPTRPVHHZ-VDHUWJSZSA-N 2 0 371.485 0.603 20 0 FCADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000568286770 491566963 /nfs/dbraw/zinc/56/69/63/491566963.db2.gz FYHOQOVVSMTWJK-UHFFFAOYSA-N 2 0 371.445 0.267 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000575876067 491567107 /nfs/dbraw/zinc/56/71/07/491567107.db2.gz DDTAABCZQAUXMN-UHFFFAOYSA-N 2 0 350.463 0.757 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575918741 491570338 /nfs/dbraw/zinc/57/03/38/491570338.db2.gz IKASXCJQQHKMNS-OAHLLOKOSA-N 2 0 352.479 0.006 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000576003960 491575016 /nfs/dbraw/zinc/57/50/16/491575016.db2.gz JESYUGXZQQHIKT-LJQANCHMSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561148422 491578560 /nfs/dbraw/zinc/57/85/60/491578560.db2.gz YTJBQJJMAKPMPQ-RBUKOAKNSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@H+](C)C1CC1 ZINC000561183672 491581049 /nfs/dbraw/zinc/58/10/49/491581049.db2.gz NQVASYDTWXUESR-HNNXBMFYSA-N 2 0 366.506 0.347 20 0 FCADRP COCCN1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000576100545 491581514 /nfs/dbraw/zinc/58/15/14/491581514.db2.gz PRAKYNBHWRVCAF-CVEARBPZSA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000673637449 493352333 /nfs/dbraw/zinc/35/23/33/493352333.db2.gz LTAWLNBBYAKIOK-QGZVFWFLSA-N 2 0 360.458 0.733 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000561226987 491585784 /nfs/dbraw/zinc/58/57/84/491585784.db2.gz PBVRVNGJDRCQCQ-ZWKOTPCHSA-N 2 0 358.486 0.788 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1ccnn1C ZINC000576176203 491589874 /nfs/dbraw/zinc/58/98/74/491589874.db2.gz CXHYESFOAQMDGK-MRXNPFEDSA-N 2 0 351.495 0.811 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000660470022 493353459 /nfs/dbraw/zinc/35/34/59/493353459.db2.gz JBLYEXIXCNRQBB-GBESFXJTSA-N 2 0 370.497 0.882 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000568628542 491593911 /nfs/dbraw/zinc/59/39/11/491593911.db2.gz ULFGYZFDVSQNGB-QWHCGFSZSA-N 2 0 363.462 0.757 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000577171767 491597961 /nfs/dbraw/zinc/59/79/61/491597961.db2.gz GJRYXCHQNMXIDS-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000584554935 491603940 /nfs/dbraw/zinc/60/39/40/491603940.db2.gz GXSAXNUVPUQRGO-ZJIFWQFVSA-N 2 0 366.506 0.343 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561426764 491608064 /nfs/dbraw/zinc/60/80/64/491608064.db2.gz ZJTMKHRDBBMHPX-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1 ZINC000568841793 491612740 /nfs/dbraw/zinc/61/27/40/491612740.db2.gz SGDRWUZIDRMAQD-XLAORIBOSA-N 2 0 353.507 0.552 20 0 FCADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576462312 491617042 /nfs/dbraw/zinc/61/70/42/491617042.db2.gz VTNRXJAJHNZHRE-SFHVURJKSA-N 2 0 361.490 0.992 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000577394713 491618612 /nfs/dbraw/zinc/61/86/12/491618612.db2.gz OBUWZJHRNVJNEH-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000561589159 491619697 /nfs/dbraw/zinc/61/96/97/491619697.db2.gz NDJZQQVUFGRVEQ-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000568985142 491624467 /nfs/dbraw/zinc/62/44/67/491624467.db2.gz AUBYZFADSAAIQM-OAHLLOKOSA-N 2 0 368.503 0.054 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000568984872 491624514 /nfs/dbraw/zinc/62/45/14/491624514.db2.gz XJPVXSZNZTYNGX-HOTGVXAUSA-N 2 0 367.538 0.245 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000576566174 491625761 /nfs/dbraw/zinc/62/57/61/491625761.db2.gz IHOGUGSPSXQPJP-GOSISDBHSA-N 2 0 362.499 0.824 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008760 491627209 /nfs/dbraw/zinc/62/72/09/491627209.db2.gz YOGFCQKEWQSGLA-MSOLQXFVSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C ZINC000561743239 491628536 /nfs/dbraw/zinc/62/85/36/491628536.db2.gz MEJNXULIYKEMGI-DLBZAZTESA-N 2 0 368.522 0.327 20 0 FCADRP C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569146523 491638107 /nfs/dbraw/zinc/63/81/07/491638107.db2.gz ROLHKITZJHIRSP-HNNXBMFYSA-N 2 0 366.481 0.825 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000561897244 491638629 /nfs/dbraw/zinc/63/86/29/491638629.db2.gz TVUNDNGAXNPYRN-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724955 491645934 /nfs/dbraw/zinc/64/59/34/491645934.db2.gz RHLMNFYTEVPABN-DLBZAZTESA-N 2 0 365.522 0.572 20 0 FCADRP C[NH+](C)C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000577726597 491646335 /nfs/dbraw/zinc/64/63/35/491646335.db2.gz VWRUPQVBRNKXLE-HNNXBMFYSA-N 2 0 367.881 0.674 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000577734899 491647352 /nfs/dbraw/zinc/64/73/52/491647352.db2.gz OHGIZSXVEZOCFL-OAHLLOKOSA-N 2 0 364.465 0.648 20 0 FCADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000562049611 491650637 /nfs/dbraw/zinc/65/06/37/491650637.db2.gz NDQWELOOQCCEOP-QGZVFWFLSA-N 2 0 360.568 0.758 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000569344321 491654186 /nfs/dbraw/zinc/65/41/86/491654186.db2.gz FPTUQPJUGYUYAC-IRXDYDNUSA-N 2 0 359.474 0.183 20 0 FCADRP CNC(=O)[C@H](NC(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943494 491658714 /nfs/dbraw/zinc/65/87/14/491658714.db2.gz KSGWFQLWKGSVGA-PKOBYXMFSA-N 2 0 358.486 0.911 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000569409085 491660019 /nfs/dbraw/zinc/66/00/19/491660019.db2.gz MVOFAKBJDZVQQL-VNQPRFMTSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)C1CN(C(=O)C23CCC(C(=O)N4CC([NH+](C)C)C4)(CC2)CC3)C1 ZINC000569424119 491660366 /nfs/dbraw/zinc/66/03/66/491660366.db2.gz PEHYETPERTZUMC-UHFFFAOYSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440174 491661764 /nfs/dbraw/zinc/66/17/64/491661764.db2.gz QOWVYRUJQGHTIJ-HLLBOEOZSA-N 2 0 363.506 0.323 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C1CC1 ZINC000578152461 491670999 /nfs/dbraw/zinc/67/09/99/491670999.db2.gz WOPZRNCEWUERGN-LSDHHAIUSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251756 491673302 /nfs/dbraw/zinc/67/33/02/491673302.db2.gz ODUYYNJZTRMZRL-JKSUJKDBSA-N 2 0 366.506 0.204 20 0 FCADRP COCC1(CNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC[NH2+]CC1 ZINC000578306538 491674293 /nfs/dbraw/zinc/67/42/93/491674293.db2.gz PXGYJYAHVSJLQA-DLBZAZTESA-N 2 0 368.522 0.945 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000578314030 491674377 /nfs/dbraw/zinc/67/43/77/491674377.db2.gz UDSLNPYOOPUNBE-IYBDPMFKSA-N 2 0 350.507 0.920 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000578326254 491674775 /nfs/dbraw/zinc/67/47/75/491674775.db2.gz MTNMCAHAHFTKHT-UHFFFAOYSA-N 2 0 362.522 0.496 20 0 FCADRP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000578354034 491675521 /nfs/dbraw/zinc/67/55/21/491675521.db2.gz HGVAMTGKWKQUGH-RYQLBKOJSA-N 2 0 374.485 0.260 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000578497239 491678375 /nfs/dbraw/zinc/67/83/75/491678375.db2.gz IQKSYFWIOKCUJE-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000578549993 491679715 /nfs/dbraw/zinc/67/97/15/491679715.db2.gz KILHQLQUDRRAAN-MRXNPFEDSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C[C@H]1[NH3+] ZINC000578738654 491683270 /nfs/dbraw/zinc/68/32/70/491683270.db2.gz JTFDGMJRVSZZOQ-HGHGUNKESA-N 2 0 370.497 0.917 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000578744369 491683348 /nfs/dbraw/zinc/68/33/48/491683348.db2.gz FCYMVDHWQWCKFI-QGZVFWFLSA-N 2 0 359.474 0.421 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000578862624 491685839 /nfs/dbraw/zinc/68/58/39/491685839.db2.gz MQDDPSMZRUBFLW-INIZCTEOSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000578908495 491686955 /nfs/dbraw/zinc/68/69/55/491686955.db2.gz FCOVHWOUZLHUKK-INIZCTEOSA-N 2 0 368.522 0.579 20 0 FCADRP CC(=O)N[C@@H](C)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000579060482 491690031 /nfs/dbraw/zinc/69/00/31/491690031.db2.gz GIPVERJXRZGMBX-BBRMVZONSA-N 2 0 352.479 0.302 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CCN1C ZINC000579148666 491692084 /nfs/dbraw/zinc/69/20/84/491692084.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 0 372.513 0.960 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC2)c1 ZINC000579445497 491697897 /nfs/dbraw/zinc/69/78/97/491697897.db2.gz GKGDCUOLKMJMLH-UHFFFAOYSA-N 2 0 363.462 0.149 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000579456238 491698148 /nfs/dbraw/zinc/69/81/48/491698148.db2.gz HGVLIZSEQOBKRY-GJZGRUSLSA-N 2 0 364.494 0.461 20 0 FCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000579461803 491698373 /nfs/dbraw/zinc/69/83/73/491698373.db2.gz XOGOCGLDRMUUEL-INIZCTEOSA-N 2 0 362.474 0.626 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000579690619 491702956 /nfs/dbraw/zinc/70/29/56/491702956.db2.gz VAJGUWAACFYKSM-CABCVRRESA-N 2 0 351.495 0.370 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580053988 491714942 /nfs/dbraw/zinc/71/49/42/491714942.db2.gz SUDNXAPAMMZIMF-NUJGCVRESA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584836161 491716321 /nfs/dbraw/zinc/71/63/21/491716321.db2.gz BDDFCUIASCTCDB-MAUKXSAKSA-N 2 0 373.501 0.982 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1=O ZINC000580316063 491725806 /nfs/dbraw/zinc/72/58/06/491725806.db2.gz ULTBTIJVGAOUCR-QBPKDAKJSA-N 2 0 366.506 0.284 20 0 FCADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580421830 491730446 /nfs/dbraw/zinc/73/04/46/491730446.db2.gz QOKNLAPOQHDWAB-JKSUJKDBSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580531647 491734653 /nfs/dbraw/zinc/73/46/53/491734653.db2.gz CSJGGOIOZWQNRD-LJQANCHMSA-N 2 0 357.502 0.734 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000580533514 491734945 /nfs/dbraw/zinc/73/49/45/491734945.db2.gz VDODROFUVLPJDN-IAGOWNOFSA-N 2 0 365.522 0.001 20 0 FCADRP C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000580631977 491739241 /nfs/dbraw/zinc/73/92/41/491739241.db2.gz HSGMDPBVZYBYFS-TZMCWYRMSA-N 2 0 363.428 0.772 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000581149032 491761530 /nfs/dbraw/zinc/76/15/30/491761530.db2.gz RIJLRSXNCXJIAS-VQHPVUNQSA-N 2 0 366.506 0.297 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000581205577 491764295 /nfs/dbraw/zinc/76/42/95/491764295.db2.gz CBLCBIVRPJGYFY-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000581300437 491767780 /nfs/dbraw/zinc/76/77/80/491767780.db2.gz WDRRISOVQMQNAG-DLBZAZTESA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CCCO1 ZINC000581450051 491773603 /nfs/dbraw/zinc/77/36/03/491773603.db2.gz QWURERRGDAASAU-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581737621 491785164 /nfs/dbraw/zinc/78/51/64/491785164.db2.gz MQLQAMHJOBRKMG-LUKYLMHMSA-N 2 0 350.507 0.727 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000581809784 491786183 /nfs/dbraw/zinc/78/61/83/491786183.db2.gz RSBOJXLJZBOODN-QAPCUYQASA-N 2 0 364.490 0.610 20 0 FCADRP CCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000590817431 491787498 /nfs/dbraw/zinc/78/74/98/491787498.db2.gz KOJOREQQQRAEOH-UHFFFAOYSA-N 2 0 370.519 0.550 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000581889443 491789053 /nfs/dbraw/zinc/78/90/53/491789053.db2.gz VZAWGHNBUJFRJF-UHFFFAOYSA-N 2 0 369.554 0.364 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000590954132 491789915 /nfs/dbraw/zinc/78/99/15/491789915.db2.gz UZPMXFXPFKIZDJ-GOSISDBHSA-N 2 0 369.554 0.670 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583937 493364124 /nfs/dbraw/zinc/36/41/24/493364124.db2.gz GPORDYSGOUOMMZ-LSDHHAIUSA-N 2 0 353.511 0.746 20 0 FCADRP [NH3+]C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000582125244 491798975 /nfs/dbraw/zinc/79/89/75/491798975.db2.gz KXRWXZDVGIUNRW-KRWDZBQOSA-N 2 0 368.522 0.187 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668499217 493364683 /nfs/dbraw/zinc/36/46/83/493364683.db2.gz CJDWANCNRYWLSZ-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000582312683 491807107 /nfs/dbraw/zinc/80/71/07/491807107.db2.gz GZLUQTTWXWBJNP-KRWDZBQOSA-N 2 0 358.486 0.759 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000591570724 491809144 /nfs/dbraw/zinc/80/91/44/491809144.db2.gz GLXQMNFECGOKFK-MRXNPFEDSA-N 3 0 354.539 0.923 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000582778274 491826249 /nfs/dbraw/zinc/82/62/49/491826249.db2.gz OJHSQPHXLXNZSP-SJORKVTESA-N 2 0 368.522 0.329 20 0 FCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000582834603 491828710 /nfs/dbraw/zinc/82/87/10/491828710.db2.gz SVHKGOKEVSBUHB-IBGZPJMESA-N 2 0 357.502 0.734 20 0 FCADRP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000583131958 491838744 /nfs/dbraw/zinc/83/87/44/491838744.db2.gz PMGMQGUZIHETMF-AWEZNQCLSA-N 2 0 358.442 0.412 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000583257352 491841056 /nfs/dbraw/zinc/84/10/56/491841056.db2.gz BRAOBKQPNPGQGF-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000583282542 491841547 /nfs/dbraw/zinc/84/15/47/491841547.db2.gz HAQGVFIUIVNPQH-KRWDZBQOSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000583312704 491842246 /nfs/dbraw/zinc/84/22/46/491842246.db2.gz JAEMYCKLIFQAGD-NBOOPKSLSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000583452566 491845410 /nfs/dbraw/zinc/84/54/10/491845410.db2.gz PHRBPSKEBBNCJH-LUKYLMHMSA-N 2 0 350.507 0.809 20 0 FCADRP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)N(C[C@@H](O)C[N@@H+](C)CC)CC1(C)C ZINC000583761302 491851418 /nfs/dbraw/zinc/85/14/18/491851418.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 2 0 358.571 0.396 20 0 FCADRP O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802432 491852180 /nfs/dbraw/zinc/85/21/80/491852180.db2.gz IIOFXCAKYTUDAJ-QZWWFDLISA-N 2 0 364.490 0.099 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1cccc(-n2ccnc2)c1 ZINC000583823718 491852809 /nfs/dbraw/zinc/85/28/09/491852809.db2.gz FNILGCDXKJDVJB-XKQJLSEDSA-N 2 0 368.441 0.887 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000583897951 491854373 /nfs/dbraw/zinc/85/43/73/491854373.db2.gz TUOPTAJAVCRRRS-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000584053901 491857416 /nfs/dbraw/zinc/85/74/16/491857416.db2.gz MXFXGSYIYJJOIZ-KGLIPLIRSA-N 2 0 366.487 0.594 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584068486 491857996 /nfs/dbraw/zinc/85/79/96/491857996.db2.gz MSELISXCIKGOAD-ACLXAEORSA-N 2 0 362.518 0.916 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3C[NH2+]CCN3C)c2)CC1 ZINC000584220014 491860888 /nfs/dbraw/zinc/86/08/88/491860888.db2.gz DNLXIUJJIQOZCU-SFHVURJKSA-N 2 0 360.506 0.854 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1[NH3+] ZINC000584226606 491861037 /nfs/dbraw/zinc/86/10/37/491861037.db2.gz CHUWXHHXDCDIIL-LAVFITLUSA-N 2 0 356.470 0.525 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000611638917 491864519 /nfs/dbraw/zinc/86/45/19/491864519.db2.gz YFIPZKHAVFJDQL-YOEHRIQHSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649020 491865329 /nfs/dbraw/zinc/86/53/29/491865329.db2.gz LYACCWURWLTPRT-KSSFIOAISA-N 2 0 362.518 0.824 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542144 491930733 /nfs/dbraw/zinc/93/07/33/491930733.db2.gz GYZHYUIONZTHCH-IAGOWNOFSA-N 2 0 366.506 0.158 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000612548708 491933490 /nfs/dbraw/zinc/93/34/90/491933490.db2.gz QIEYXWDOWRRFOT-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551762 491934164 /nfs/dbraw/zinc/93/41/64/491934164.db2.gz JPAMBEPCBSCEQO-XHSDSOJGSA-N 2 0 354.495 0.202 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000612591251 491935606 /nfs/dbraw/zinc/93/56/06/491935606.db2.gz INCMNVNNYUNNBY-IRXDYDNUSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612595708 491936698 /nfs/dbraw/zinc/93/66/98/491936698.db2.gz KCWGLLMPZMMOBM-SJORKVTESA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612595705 491936851 /nfs/dbraw/zinc/93/68/51/491936851.db2.gz KCWGLLMPZMMOBM-DLBZAZTESA-N 2 0 366.506 0.299 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612772816 491949858 /nfs/dbraw/zinc/94/98/58/491949858.db2.gz JSOHFRXAPUKZIJ-KRWDZBQOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612778108 491950136 /nfs/dbraw/zinc/95/01/36/491950136.db2.gz WFBGSSGZMLJJCV-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP COC[C@@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000601897405 491953895 /nfs/dbraw/zinc/95/38/95/491953895.db2.gz PHAUBBASBFCICI-SFHVURJKSA-N 2 0 365.478 0.290 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916538 491958377 /nfs/dbraw/zinc/95/83/77/491958377.db2.gz AXSDZBHDACJDOJ-GJZGRUSLSA-N 2 0 363.510 0.692 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000612992467 491961658 /nfs/dbraw/zinc/96/16/58/491961658.db2.gz GEHFDUCDROXYPN-JYJNAYRXSA-N 2 0 363.506 0.418 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506295 491990342 /nfs/dbraw/zinc/99/03/42/491990342.db2.gz NDSSUZXSMODVMA-PMACEKPBSA-N 2 0 373.545 0.684 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506298 491990401 /nfs/dbraw/zinc/99/04/01/491990401.db2.gz NDSSUZXSMODVMA-WOJBJXKFSA-N 2 0 373.545 0.684 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000597216212 492022740 /nfs/dbraw/zinc/02/27/40/492022740.db2.gz YCKWBKYTNGSWCA-IAGOWNOFSA-N 2 0 365.522 0.855 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000597409258 492036613 /nfs/dbraw/zinc/03/66/13/492036613.db2.gz QMZGUDJBILCEBN-OAHLLOKOSA-N 2 0 355.527 0.959 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000604639973 492065059 /nfs/dbraw/zinc/06/50/59/492065059.db2.gz DBZKWEVYJOQOSE-SQNIBIBYSA-N 2 0 365.522 0.319 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000604639971 492065316 /nfs/dbraw/zinc/06/53/16/492065316.db2.gz DBZKWEVYJOQOSE-KURKYZTESA-N 2 0 365.522 0.319 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000604641315 492065788 /nfs/dbraw/zinc/06/57/88/492065788.db2.gz OVNAHFYYLXAHCC-FGTMMUONSA-N 2 0 365.522 0.319 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652237 492066542 /nfs/dbraw/zinc/06/65/42/492066542.db2.gz VAHDUIHZVASFSD-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)C[NH+](C)C)O1)C[NH+](C)C ZINC000615176812 492077041 /nfs/dbraw/zinc/07/70/41/492077041.db2.gz MHRZMRZXNHOMEN-SYMSYNOKSA-N 2 0 356.511 0.162 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000615215681 492078906 /nfs/dbraw/zinc/07/89/06/492078906.db2.gz MMZMCSWJTGMXJL-XHSDSOJGSA-N 2 0 358.527 0.094 20 0 FCADRP CCC[NH+]1CC[C@@H](NC(=O)CSCC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000598344090 492095530 /nfs/dbraw/zinc/09/55/30/492095530.db2.gz ZTFVCIWLHVPTKP-IYBDPMFKSA-N 2 0 370.563 0.921 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000605846120 492104343 /nfs/dbraw/zinc/10/43/43/492104343.db2.gz JLUCHBYLWSWUKH-UHFFFAOYSA-N 2 0 355.527 0.424 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+](C)C ZINC000606018990 492111524 /nfs/dbraw/zinc/11/15/24/492111524.db2.gz HUEXJWCIPDSWET-ZDUSSCGKSA-N 2 0 363.462 0.582 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000606539319 492124495 /nfs/dbraw/zinc/12/44/95/492124495.db2.gz DUWDWNNJJRXEMS-UHFFFAOYSA-N 2 0 367.494 0.098 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633825 492125312 /nfs/dbraw/zinc/12/53/12/492125312.db2.gz WMWLPQNTXPGUQO-DLBZAZTESA-N 2 0 355.527 0.278 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606685060 492126321 /nfs/dbraw/zinc/12/63/21/492126321.db2.gz XJBQYDVEGCKDME-HNNXBMFYSA-N 2 0 367.538 0.959 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000607234970 492141534 /nfs/dbraw/zinc/14/15/34/492141534.db2.gz SWGCNGNMOLYIQW-UHFFFAOYSA-N 2 0 361.490 0.802 20 0 FCADRP C[C@H](CCNC(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)[nH]n1)[NH+](C)C ZINC000617761461 492190071 /nfs/dbraw/zinc/19/00/71/492190071.db2.gz UOUMMYPFTZNQSZ-BETUJISGSA-N 2 0 352.483 0.550 20 0 FCADRP C[C@H](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000617760833 492190108 /nfs/dbraw/zinc/19/01/08/492190108.db2.gz HQKLEMZBOQEWCB-FPCVCCKLSA-N 2 0 356.511 0.447 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618308245 492221959 /nfs/dbraw/zinc/22/19/59/492221959.db2.gz CLOUPBFLXPAGEA-GOSISDBHSA-N 2 0 360.502 0.987 20 0 FCADRP Nc1nn2c(nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2=O)[nH]1 ZINC000619970131 492284847 /nfs/dbraw/zinc/28/48/47/492284847.db2.gz GONUDMOKJUQUJH-UHFFFAOYSA-N 2 0 359.478 0.918 20 0 FCADRP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304608 492284911 /nfs/dbraw/zinc/28/49/11/492284911.db2.gz JFNUUQWHHMMMHS-HUUCEWRRSA-N 2 0 367.490 0.977 20 0 FCADRP COC(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000611588010 492290599 /nfs/dbraw/zinc/29/05/99/492290599.db2.gz SMJOUWFMYQPURQ-UHFFFAOYSA-N 2 0 373.413 0.798 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627472740 492310008 /nfs/dbraw/zinc/31/00/08/492310008.db2.gz XJIINRVVEXKDRF-IAGOWNOFSA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000654487411 492311126 /nfs/dbraw/zinc/31/11/26/492311126.db2.gz IAEURCIJFITVGI-UHFFFAOYSA-N 2 0 372.473 0.988 20 0 FCADRP O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485716 492313510 /nfs/dbraw/zinc/31/35/10/492313510.db2.gz WSKHXFMSLKWQME-CTNGQTDRSA-N 2 0 373.497 0.681 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000620535927 492317522 /nfs/dbraw/zinc/31/75/22/492317522.db2.gz VKHMUBOXYPXYTI-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@H+]1C ZINC000641841654 492318105 /nfs/dbraw/zinc/31/81/05/492318105.db2.gz TYVMULOOYVJFGF-FGTMMUONSA-N 2 0 367.538 0.517 20 0 FCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000641892675 492321750 /nfs/dbraw/zinc/32/17/50/492321750.db2.gz ZPPTWUZFMTURLL-YESZJQIVSA-N 2 0 363.506 0.228 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000641995888 492327022 /nfs/dbraw/zinc/32/70/22/492327022.db2.gz QVYVPLRHRNNHMR-KRWDZBQOSA-N 2 0 353.511 0.034 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000647594852 492331335 /nfs/dbraw/zinc/33/13/35/492331335.db2.gz SIRXSEBHMHCGBF-KDOFPFPSSA-N 2 0 358.486 0.918 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000620772971 492334025 /nfs/dbraw/zinc/33/40/25/492334025.db2.gz PZTUVIJFPBZTKH-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000620772969 492334435 /nfs/dbraw/zinc/33/44/35/492334435.db2.gz PZTUVIJFPBZTKH-QZTJIDSGSA-N 2 0 358.486 0.787 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)c1 ZINC000642103304 492334606 /nfs/dbraw/zinc/33/46/06/492334606.db2.gz WXVGKXRGHBKOSV-SFHVURJKSA-N 2 0 374.485 0.817 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000642100526 492335277 /nfs/dbraw/zinc/33/52/77/492335277.db2.gz QTPQAASRUBYJGU-CQSZACIVSA-N 2 0 350.488 0.869 20 0 FCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H]1c1ccccc1 ZINC000642195273 492340124 /nfs/dbraw/zinc/34/01/24/492340124.db2.gz YAWVUXMUXHJJJG-LEUOFYLZSA-N 2 0 356.470 0.758 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254046 492345168 /nfs/dbraw/zinc/34/51/68/492345168.db2.gz ZZWGOIXOAXTKAN-SJLPKXTDSA-N 2 0 358.486 0.868 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccco1 ZINC000642255332 492345182 /nfs/dbraw/zinc/34/51/82/492345182.db2.gz ORQHYGHTZJBMQD-ARFHVFGLSA-N 2 0 362.474 0.989 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253856 492345779 /nfs/dbraw/zinc/34/57/79/492345779.db2.gz LQKZWOFCFOLUNC-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253888 492346079 /nfs/dbraw/zinc/34/60/79/492346079.db2.gz OXIHOEKIGVPHMD-AEFFLSMTSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642330428 492351661 /nfs/dbraw/zinc/35/16/61/492351661.db2.gz HVRWYVPNQBLDIO-KXBFYZLASA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330394 492352259 /nfs/dbraw/zinc/35/22/59/492352259.db2.gz DDYPIASYIDIATP-XUWVNRHRSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642330578 492352322 /nfs/dbraw/zinc/35/23/22/492352322.db2.gz XMEWSCHSTRGIKX-DMRKSPOLSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642330577 492352358 /nfs/dbraw/zinc/35/23/58/492352358.db2.gz XMEWSCHSTRGIKX-BQJWPVKWSA-N 2 0 350.507 0.679 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345405 492353582 /nfs/dbraw/zinc/35/35/82/492353582.db2.gz LMMQXECJASFYLD-OAHLLOKOSA-N 3 0 365.522 0.049 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000642346543 492354092 /nfs/dbraw/zinc/35/40/92/492354092.db2.gz RBVZRGOTEWAEKY-ULQDDVLXSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642356709 492355305 /nfs/dbraw/zinc/35/53/05/492355305.db2.gz RKVPQVPLSLPFOW-QGZVFWFLSA-N 2 0 368.522 0.448 20 0 FCADRP Cn1nc2c(cc1=O)CN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634644839 492357365 /nfs/dbraw/zinc/35/73/65/492357365.db2.gz BTSCOFQWPRTHBH-HXUWFJFHSA-N 2 0 354.454 0.775 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000642450049 492358623 /nfs/dbraw/zinc/35/86/23/492358623.db2.gz KAGKENIRXMRGSH-IUODEOHRSA-N 2 0 352.866 0.866 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000642550369 492363523 /nfs/dbraw/zinc/36/35/23/492363523.db2.gz FNWHTOIJUIWRRB-RYQLBKOJSA-N 2 0 374.485 0.342 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC3C[NH2+]C3)CC2)cc1 ZINC000642541076 492363687 /nfs/dbraw/zinc/36/36/87/492363687.db2.gz YBQNAAJXJKMPMN-UHFFFAOYSA-N 2 0 360.458 0.111 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000642640208 492368005 /nfs/dbraw/zinc/36/80/05/492368005.db2.gz PGNSZNXUPBAPSY-RDJZCZTQSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640945 492369103 /nfs/dbraw/zinc/36/91/03/492369103.db2.gz PTJDFMFARRXVRT-BPQIPLTHSA-N 2 0 356.470 0.491 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]1 ZINC000642684665 492372911 /nfs/dbraw/zinc/37/29/11/492372911.db2.gz FICCYYVLLSYWEA-GOSISDBHSA-N 2 0 373.501 0.619 20 0 FCADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654908331 492377627 /nfs/dbraw/zinc/37/76/27/492377627.db2.gz ZVXUTHPVKAOJHR-LZLYRXPVSA-N 2 0 372.469 0.451 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)Cc2ccccc2C1 ZINC000642725933 492380842 /nfs/dbraw/zinc/38/08/42/492380842.db2.gz AEMVZPBXOWXGKT-UHFFFAOYSA-N 2 0 358.486 0.542 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000642731422 492381400 /nfs/dbraw/zinc/38/14/00/492381400.db2.gz CHSOUDXWZHSEFE-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000642731685 492381616 /nfs/dbraw/zinc/38/16/16/492381616.db2.gz JHNQMJRPYLHZIX-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729084 492382064 /nfs/dbraw/zinc/38/20/64/492382064.db2.gz DIUOYKZOJSIMRW-DOTOQJQBSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642750499 492384757 /nfs/dbraw/zinc/38/47/57/492384757.db2.gz GXRVZYCIMVWQKQ-HZPDHXFCSA-N 2 0 354.495 0.189 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642758469 492386764 /nfs/dbraw/zinc/38/67/64/492386764.db2.gz YPKBBVDRPVOAFK-MRXNPFEDSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000642759500 492386848 /nfs/dbraw/zinc/38/68/48/492386848.db2.gz DGOLYHNYYWYVIO-ATLSCFEFSA-N 2 0 374.485 0.198 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H](C)[NH3+])CC2)c1 ZINC000642754938 492387048 /nfs/dbraw/zinc/38/70/48/492387048.db2.gz JSTAZJBHXHBIRZ-INIZCTEOSA-N 2 0 361.490 0.087 20 0 FCADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977329 492390074 /nfs/dbraw/zinc/39/00/74/492390074.db2.gz AAABHPVMUQXVSN-HUUCEWRRSA-N 2 0 355.508 0.410 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647978423 492390525 /nfs/dbraw/zinc/39/05/25/492390525.db2.gz ROOOSUHJWLVWQC-RCCFBDPRSA-N 2 0 350.507 0.825 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978168 492390800 /nfs/dbraw/zinc/39/08/00/492390800.db2.gz NQYCQOSLOQNJMU-CABCVRRESA-N 2 0 374.489 0.145 20 0 FCADRP O=S(=O)([C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000647988751 492391600 /nfs/dbraw/zinc/39/16/00/492391600.db2.gz HLJYPWUTSYLKJF-KRWDZBQOSA-N 2 0 359.536 0.893 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH2+]1 ZINC000642793718 492393415 /nfs/dbraw/zinc/39/34/15/492393415.db2.gz PDMZGFVNUVZPMU-MRXNPFEDSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[NH2+]1 ZINC000642800053 492395902 /nfs/dbraw/zinc/39/59/02/492395902.db2.gz HEXXCZAOALVGOF-GOSISDBHSA-N 2 0 360.502 0.863 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921475 492404595 /nfs/dbraw/zinc/40/45/95/492404595.db2.gz VMETVEWVCFQXRU-QZTJIDSGSA-N 2 0 373.501 0.041 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000642958549 492406524 /nfs/dbraw/zinc/40/65/24/492406524.db2.gz NTZSJXBDDQVLSI-ARFHVFGLSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1cccc(F)c1 ZINC000642979577 492409218 /nfs/dbraw/zinc/40/92/18/492409218.db2.gz BODYKRSDNTUZOK-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(F)c1 ZINC000642979576 492409460 /nfs/dbraw/zinc/40/94/60/492409460.db2.gz BODYKRSDNTUZOK-CVEARBPZSA-N 2 0 350.438 0.803 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])nn1 ZINC000648199275 492414414 /nfs/dbraw/zinc/41/44/14/492414414.db2.gz SFNWDEMMLDRRKB-CGTJXYLNSA-N 2 0 370.457 0.065 20 0 FCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000621845393 492425177 /nfs/dbraw/zinc/42/51/77/492425177.db2.gz IRHFUIDQHKSJIY-OXJNMPFZSA-N 2 0 371.485 0.754 20 0 FCADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccc21 ZINC000627982728 492434803 /nfs/dbraw/zinc/43/48/03/492434803.db2.gz XULKCJAGJLMQRN-NVXWUHKLSA-N 2 0 360.458 0.357 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028512 492443519 /nfs/dbraw/zinc/44/35/19/492443519.db2.gz RHKKFJUWRCPXHN-CLCXKQKWSA-N 2 0 364.490 0.038 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030448 492444990 /nfs/dbraw/zinc/44/49/90/492444990.db2.gz WLSOUNYUPQHWIY-MAUKXSAKSA-N 2 0 364.515 0.978 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC000643426236 492456533 /nfs/dbraw/zinc/45/65/33/492456533.db2.gz BIHPMEZUFPFJBX-UHFFFAOYSA-N 2 0 363.506 0.427 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643453489 492466350 /nfs/dbraw/zinc/46/63/50/492466350.db2.gz HCQVIMGKBOTXMA-YESZJQIVSA-N 2 0 358.552 0.464 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC(C)(C)CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635547125 492468961 /nfs/dbraw/zinc/46/89/61/492468961.db2.gz YGVOTQSXFTYJNC-UHFFFAOYSA-N 2 0 352.523 0.929 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000635558441 492471879 /nfs/dbraw/zinc/47/18/79/492471879.db2.gz KPOIFJBQZIJESE-HUUCEWRRSA-N 2 0 361.490 0.592 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635561613 492472117 /nfs/dbraw/zinc/47/21/17/492472117.db2.gz SQXCKTZYYTUGPR-QGZVFWFLSA-N 2 0 354.539 0.735 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635573127 492474821 /nfs/dbraw/zinc/47/48/21/492474821.db2.gz RLOIQJCMSNHATL-KRWDZBQOSA-N 2 0 350.507 0.385 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000643478951 492475423 /nfs/dbraw/zinc/47/54/23/492475423.db2.gz VCCAADVUOPORQS-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643480982 492476842 /nfs/dbraw/zinc/47/68/42/492476842.db2.gz MGKHJPOUPIZAEB-MOPGFXCFSA-N 2 0 370.497 0.931 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643480988 492476879 /nfs/dbraw/zinc/47/68/79/492476879.db2.gz NRIZLCHZJNZRFK-HDICACEKSA-N 2 0 356.470 0.399 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643480995 492476925 /nfs/dbraw/zinc/47/69/25/492476925.db2.gz SSUMXBKHEROUOF-OALUTQOASA-N 2 0 370.497 0.789 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643486715 492478963 /nfs/dbraw/zinc/47/89/63/492478963.db2.gz FDNMZOOEBLPIMH-DOTOQJQBSA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000643494645 492481402 /nfs/dbraw/zinc/48/14/02/492481402.db2.gz SJAHDMGRUOGJMG-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643494347 492481754 /nfs/dbraw/zinc/48/17/54/492481754.db2.gz YPNXYPVFRJBXHI-IRXDYDNUSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499502 492483045 /nfs/dbraw/zinc/48/30/45/492483045.db2.gz NOJCGXKMAHFSSO-XDNAFOTISA-N 2 0 362.518 0.777 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502451 492483403 /nfs/dbraw/zinc/48/34/03/492483403.db2.gz GXCOAETUBQHTKE-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000643504714 492483629 /nfs/dbraw/zinc/48/36/29/492483629.db2.gz BBLDPGBJDPSASJ-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000643509640 492484700 /nfs/dbraw/zinc/48/47/00/492484700.db2.gz BOENNIBIGPKZRJ-IAGOWNOFSA-N 2 0 366.506 0.287 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)CC1 ZINC000643516198 492487594 /nfs/dbraw/zinc/48/75/94/492487594.db2.gz ZXZNDOXHIIIMKV-JYSRZZCRSA-N 2 0 362.518 0.920 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)CC1 ZINC000643516195 492487626 /nfs/dbraw/zinc/48/76/26/492487626.db2.gz ZXZNDOXHIIIMKV-FPQWYMTMSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000643515278 492487631 /nfs/dbraw/zinc/48/76/31/492487631.db2.gz AYAOVAAPPMRXST-IAGOWNOFSA-N 2 0 366.506 0.143 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000643524377 492490073 /nfs/dbraw/zinc/49/00/73/492490073.db2.gz NUJNSKPPKYSXJC-HOCLYGCPSA-N 2 0 350.463 0.756 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531825 492491089 /nfs/dbraw/zinc/49/10/89/492491089.db2.gz OQYXWPCJNYVKRG-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000643531752 492491327 /nfs/dbraw/zinc/49/13/27/492491327.db2.gz FSFIBHXYSZALNS-ZWKOTPCHSA-N 2 0 374.485 0.296 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643531852 492492403 /nfs/dbraw/zinc/49/24/03/492492403.db2.gz PRYRZVSUDGSPAK-WIYYLYMNSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643532041 492492486 /nfs/dbraw/zinc/49/24/86/492492486.db2.gz AQHGJAXVYXMUFO-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000643539753 492493555 /nfs/dbraw/zinc/49/35/55/492493555.db2.gz BYWNOFAYADEUDD-IAGOWNOFSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000643539784 492493723 /nfs/dbraw/zinc/49/37/23/492493723.db2.gz INZWGOWPRNSXNP-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP O=C(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643541559 492495431 /nfs/dbraw/zinc/49/54/31/492495431.db2.gz UYTXSEMJNNIXQG-QGFMHUBQSA-N 2 0 368.481 0.255 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)CC[C@@H]21 ZINC000643549854 492497702 /nfs/dbraw/zinc/49/77/02/492497702.db2.gz WRMWEFGEZVWMRT-KURKYZTESA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643558636 492498454 /nfs/dbraw/zinc/49/84/54/492498454.db2.gz PAJSCFWGFDIPGB-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000635735381 492499235 /nfs/dbraw/zinc/49/92/35/492499235.db2.gz FETXHPYRNCNIJS-HNNXBMFYSA-N 2 0 359.536 0.686 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000643593652 492502664 /nfs/dbraw/zinc/50/26/64/492502664.db2.gz CAQFCVWAUJNEEE-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])Cc2ccccc2)C1 ZINC000649280802 492519874 /nfs/dbraw/zinc/51/98/74/492519874.db2.gz MJUGQHLWJPGDHG-LJQANCHMSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C(C)(C)C[NH+]3CCOCC3)CC2)C1=O ZINC000635925494 492528717 /nfs/dbraw/zinc/52/87/17/492528717.db2.gz ALESIKMMJCQOBJ-INIZCTEOSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934293 492531215 /nfs/dbraw/zinc/53/12/15/492531215.db2.gz OOKRIMDQUHXEBK-WBVHZDCISA-N 2 0 366.506 0.299 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321231 492532138 /nfs/dbraw/zinc/53/21/38/492532138.db2.gz PEZKBWXOJCQEAO-ZWKOTPCHSA-N 2 0 374.485 0.236 20 0 FCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000649352130 492545800 /nfs/dbraw/zinc/54/58/00/492545800.db2.gz UIWNFYFAGYHXLP-PNYFIKQUSA-N 2 0 369.513 0.908 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000643782059 492556359 /nfs/dbraw/zinc/55/63/59/492556359.db2.gz XVSKABUJRLULSK-MRXNPFEDSA-N 2 0 355.446 0.854 20 0 FCADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000636155869 492557248 /nfs/dbraw/zinc/55/72/48/492557248.db2.gz CWVRIKNRSFCIFU-QZTJIDSGSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656150501 492557875 /nfs/dbraw/zinc/55/78/75/492557875.db2.gz VYATUOBEXIBVCH-OAGGEKHMSA-N 2 0 351.495 0.765 20 0 FCADRP COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)[NH+](C)C)c1 ZINC000636473405 492595061 /nfs/dbraw/zinc/59/50/61/492595061.db2.gz ZOSBGQBVUWYXFZ-WBVHZDCISA-N 2 0 350.463 0.664 20 0 FCADRP C[C@H]1C[N@H+](CCOc2ccc(CCNc3nc(N)[nH+]c(N)n3)cc2)C[C@H]1C ZINC000624085386 492618877 /nfs/dbraw/zinc/61/88/77/492618877.db2.gz QXYFCSSZFRYBBB-OKILXGFUSA-N 2 0 371.489 0.740 20 0 FCADRP C[C@@H]1C[NH+](CCOc2ccc(CCNc3nc(N)[nH+]c(N)n3)cc2)C[C@H]1C ZINC000624085387 492618919 /nfs/dbraw/zinc/61/89/19/492618919.db2.gz QXYFCSSZFRYBBB-ZIAGYGMSSA-N 2 0 371.489 0.740 20 0 FCADRP CN(CCOCC[NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000629578578 492655944 /nfs/dbraw/zinc/65/59/44/492655944.db2.gz SBOLDSABGKXGIO-UHFFFAOYSA-N 2 0 356.511 0.045 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C[C@H]2[NH3+])cn1 ZINC000644183463 492664325 /nfs/dbraw/zinc/66/43/25/492664325.db2.gz BWGMMASESJAVCI-JKSUJKDBSA-N 2 0 352.402 0.959 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629788192 492672146 /nfs/dbraw/zinc/67/21/46/492672146.db2.gz NAANAKLJLNJLDL-QWHCGFSZSA-N 2 0 364.412 0.526 20 0 FCADRP COC1CCN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000656963113 492680115 /nfs/dbraw/zinc/68/01/15/492680115.db2.gz TZNVWYQSLTZPCU-UHFFFAOYSA-N 2 0 362.540 0.300 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000650879849 492680793 /nfs/dbraw/zinc/68/07/93/492680793.db2.gz ZFDWSLFQWWDWQG-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629809278 492683117 /nfs/dbraw/zinc/68/31/17/492683117.db2.gz PBQAURXEOAWDKP-FRRDWIJNSA-N 2 0 364.412 0.525 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000629814277 492686283 /nfs/dbraw/zinc/68/62/83/492686283.db2.gz HFFKCWBMJDBGCV-IRXDYDNUSA-N 2 0 350.507 0.633 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644295129 492695836 /nfs/dbraw/zinc/69/58/36/492695836.db2.gz SUMQYRLDYAXNGQ-KSZLIROESA-N 2 0 367.538 0.299 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000636795564 492696194 /nfs/dbraw/zinc/69/61/94/492696194.db2.gz MMZJDVJBOARRHR-ZACQAIPSSA-N 2 0 356.511 0.489 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000636795561 492696309 /nfs/dbraw/zinc/69/63/09/492696309.db2.gz MMZJDVJBOARRHR-IXDOHACOSA-N 2 0 356.511 0.489 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000636939824 492733151 /nfs/dbraw/zinc/73/31/51/492733151.db2.gz GRYRZYGFQCFATK-ULQDDVLXSA-N 2 0 354.495 0.120 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637151765 492782280 /nfs/dbraw/zinc/78/22/80/492782280.db2.gz BHBWKAAZTUCNAM-MRXNPFEDSA-N 2 0 365.478 0.278 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000644533814 492782769 /nfs/dbraw/zinc/78/27/69/492782769.db2.gz HMYQKYKBFFGWLO-UHFFFAOYSA-N 2 0 372.473 1.509 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651588350 492787904 /nfs/dbraw/zinc/78/79/04/492787904.db2.gz OLWYBTLTMCZBJZ-MSOLQXFVSA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610946 492791258 /nfs/dbraw/zinc/79/12/58/492791258.db2.gz AEFGFURJCAYXJY-SOLBZPMBSA-N 2 0 366.506 0.582 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000637287806 492806860 /nfs/dbraw/zinc/80/68/60/492806860.db2.gz AULMACROTKLXGT-MSOLQXFVSA-N 2 0 373.501 0.900 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000657874135 492807604 /nfs/dbraw/zinc/80/76/04/492807604.db2.gz OTDVCIUSTFTLRS-GOSISDBHSA-N 2 0 371.485 0.817 20 0 FCADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373478 492813169 /nfs/dbraw/zinc/81/31/69/492813169.db2.gz QCQWUEJKMVYKEZ-XHSDSOJGSA-N 2 0 351.495 0.594 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000637376174 492816547 /nfs/dbraw/zinc/81/65/47/492816547.db2.gz DRNVEAKZRUZZGG-KRWDZBQOSA-N 2 0 365.522 0.986 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000631752711 492847450 /nfs/dbraw/zinc/84/74/50/492847450.db2.gz SMZJFVMAFSVRLP-UHFFFAOYSA-N 2 0 368.547 0.805 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645136017 492872188 /nfs/dbraw/zinc/87/21/88/492872188.db2.gz KJSHCWFLZPMKHG-KZNAEPCWSA-N 2 0 358.486 0.663 20 0 FCADRP COc1cccc([C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[NH+](C)C)c1 ZINC000645178785 492875424 /nfs/dbraw/zinc/87/54/24/492875424.db2.gz PAGOXMXOORWIHX-IRXDYDNUSA-N 2 0 362.474 0.672 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000638097990 492905003 /nfs/dbraw/zinc/90/50/03/492905003.db2.gz YRKFCTVVRFXKJH-IRXDYDNUSA-N 2 0 362.474 0.754 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000631996470 492907442 /nfs/dbraw/zinc/90/74/42/492907442.db2.gz DAEURUZHHRIHRR-GOSISDBHSA-N 2 0 372.579 0.904 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652312888 492908935 /nfs/dbraw/zinc/90/89/35/492908935.db2.gz DOMDWYVPYJKVRY-UHFFFAOYSA-N 2 0 353.511 0.572 20 0 FCADRP O=C(CNC(=O)NCCC1CC[NH2+]CC1)NCC[NH+]1CCCCCC1 ZINC000652321582 492910532 /nfs/dbraw/zinc/91/05/32/492910532.db2.gz IQFOAMWVLZDHNA-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652347675 492913195 /nfs/dbraw/zinc/91/31/95/492913195.db2.gz JHGMVRDZTNKOSJ-DZJNRPSUSA-N 2 0 366.506 0.284 20 0 FCADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346793 492913597 /nfs/dbraw/zinc/91/35/97/492913597.db2.gz IKRDLFRARFKOBB-JYJNAYRXSA-N 2 0 354.495 0.189 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638221088 492924362 /nfs/dbraw/zinc/92/43/62/492924362.db2.gz VOYWPLKPOPRDNT-HUUCEWRRSA-N 2 0 374.407 0.517 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000652440188 492932900 /nfs/dbraw/zinc/93/29/00/492932900.db2.gz AXJZZTRLYNOIFB-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000632160821 492940731 /nfs/dbraw/zinc/94/07/31/492940731.db2.gz LEQLKBPHDPKQGX-MSOLQXFVSA-N 2 0 372.579 0.760 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn([C@@H]3CC[NH2+]C3)c1C(F)F)C2 ZINC000638383046 492941587 /nfs/dbraw/zinc/94/15/87/492941587.db2.gz AABVKBLNLUKXAP-USBNGQNGSA-N 2 0 354.405 0.951 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000638556519 492960410 /nfs/dbraw/zinc/96/04/10/492960410.db2.gz LZFHZMMGMJNAOS-CHWSQXEVSA-N 2 0 359.396 0.948 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000652644619 492977419 /nfs/dbraw/zinc/97/74/19/492977419.db2.gz DJOOJULLXLFJFD-HNNXBMFYSA-N 2 0 359.474 0.780 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC000638808819 492980163 /nfs/dbraw/zinc/98/01/63/492980163.db2.gz OJTICCMYBVNTKM-XUWVNRHRSA-N 2 0 362.478 0.493 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)C1=O ZINC000638855939 492982772 /nfs/dbraw/zinc/98/27/72/492982772.db2.gz IVLDMWJSAARDEU-CYBMUJFWSA-N 2 0 351.476 0.069 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1=O ZINC000638856737 492982800 /nfs/dbraw/zinc/98/28/00/492982800.db2.gz SRLKOZXCVOAQTO-ROUUACIJSA-N 2 0 356.470 0.512 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000652671928 492984084 /nfs/dbraw/zinc/98/40/84/492984084.db2.gz TUTREKXMGZWADL-DLBZAZTESA-N 2 0 366.506 0.068 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645869689 492986079 /nfs/dbraw/zinc/98/60/79/492986079.db2.gz OUTRXUANFBSXKB-OAHLLOKOSA-N 2 0 361.490 0.730 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652678175 492986339 /nfs/dbraw/zinc/98/63/39/492986339.db2.gz WFOGRGPAQOWAPO-IXDOHACOSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652676947 492986724 /nfs/dbraw/zinc/98/67/24/492986724.db2.gz LHIXJGVYPBSIJR-QKPAOTATSA-N 2 0 354.495 0.188 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652684012 492989804 /nfs/dbraw/zinc/98/98/04/492989804.db2.gz CWAVVAJVZJTKMG-UHFFFAOYSA-N 2 0 354.495 0.109 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CCCN1c1ncccn1 ZINC000638984497 492990401 /nfs/dbraw/zinc/99/04/01/492990401.db2.gz XLTHISCGGODDBT-OAHLLOKOSA-N 2 0 353.430 0.889 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638985499 492990704 /nfs/dbraw/zinc/99/07/04/492990704.db2.gz INUKHGDMEHXOMU-INIZCTEOSA-N 2 0 355.446 0.865 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941108 492990720 /nfs/dbraw/zinc/99/07/20/492990720.db2.gz KDKALHVNPFKVIJ-OALUTQOASA-N 2 0 360.502 0.421 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCCC1 ZINC000638985641 492990857 /nfs/dbraw/zinc/99/08/57/492990857.db2.gz BZJMUNXVLQLURD-UHFFFAOYSA-N 2 0 352.460 0.787 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCO2)CC1 ZINC000645941046 492990948 /nfs/dbraw/zinc/99/09/48/492990948.db2.gz FGZURZGJJYZYJH-WHBLYCTDSA-N 2 0 364.534 0.615 20 0 FCADRP CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000645952743 492992330 /nfs/dbraw/zinc/99/23/30/492992330.db2.gz MPUFPKDIEYPMMD-SJORKVTESA-N 2 0 358.486 0.998 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000652695388 492992850 /nfs/dbraw/zinc/99/28/50/492992850.db2.gz SXLHCKREUCTSSB-UHFFFAOYSA-N 2 0 367.538 0.169 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002956 492998831 /nfs/dbraw/zinc/99/88/31/492998831.db2.gz LIIJMLYXPICOHG-FCEWJHQRSA-N 2 0 352.523 0.757 20 0 FCADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646009628 493001336 /nfs/dbraw/zinc/00/13/36/493001336.db2.gz YCLMNHIBKHYBPN-KZNAEPCWSA-N 2 0 352.523 0.535 20 0 FCADRP CC(C)(O)C[NH+]1CCC(NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000639205936 493002111 /nfs/dbraw/zinc/00/21/11/493002111.db2.gz MIPKHSOSDKLETB-UHFFFAOYSA-N 2 0 354.539 0.804 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000639253071 493003192 /nfs/dbraw/zinc/00/31/92/493003192.db2.gz KHIGQYWLQKJDKY-UHFFFAOYSA-N 2 0 354.520 0.840 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000652724406 493003948 /nfs/dbraw/zinc/00/39/48/493003948.db2.gz AMBMXXDFNBBOGO-SJLPKXTDSA-N 2 0 362.518 0.968 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652724729 493004237 /nfs/dbraw/zinc/00/42/37/493004237.db2.gz LBUMDRRZDKRCBV-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652726813 493005645 /nfs/dbraw/zinc/00/56/45/493005645.db2.gz PDOBPUYKVBHFFE-HRCADAONSA-N 2 0 354.495 0.141 20 0 FCADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000646069014 493009931 /nfs/dbraw/zinc/00/99/31/493009931.db2.gz IKRUAIFIMAJRHE-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000646184956 493024154 /nfs/dbraw/zinc/02/41/54/493024154.db2.gz SHRPLGKIENCHTN-MRXNPFEDSA-N 2 0 366.506 0.254 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000626845764 493033073 /nfs/dbraw/zinc/03/30/73/493033073.db2.gz HSXBTHFMDBGFIQ-SFHVURJKSA-N 2 0 374.485 0.914 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000626852885 493037104 /nfs/dbraw/zinc/03/71/04/493037104.db2.gz WTJFURFQCPWVMF-UHFFFAOYSA-N 2 0 363.462 0.713 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000639722588 493037879 /nfs/dbraw/zinc/03/78/79/493037879.db2.gz HSQFPKKFRNHFHI-UHFFFAOYSA-N 2 0 360.466 1.552 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850574 493055921 /nfs/dbraw/zinc/05/59/21/493055921.db2.gz VZOBPCIXJODNAY-JVSBHGNQSA-N 2 0 364.486 0.322 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000626923646 493063664 /nfs/dbraw/zinc/06/36/64/493063664.db2.gz YDXVSCZDFIULAD-SJLPKXTDSA-N 2 0 369.473 0.886 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000626969955 493072301 /nfs/dbraw/zinc/07/23/01/493072301.db2.gz CGSZMUZYFPBFBW-UHFFFAOYSA-N 2 0 364.490 0.760 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194664 493082525 /nfs/dbraw/zinc/08/25/25/493082525.db2.gz SAYFUSSZMFOUEO-YZLZLFLDSA-N 2 0 362.518 0.907 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000627113464 493089320 /nfs/dbraw/zinc/08/93/20/493089320.db2.gz ASHFKOIGZIZJNS-JJRVBVJISA-N 2 0 368.428 0.776 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114010 493089679 /nfs/dbraw/zinc/08/96/79/493089679.db2.gz TXBOUKABBXWEIK-GVDBMIGSSA-N 2 0 350.438 0.637 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000633041275 493108361 /nfs/dbraw/zinc/10/83/61/493108361.db2.gz VGUYIMPYXWGETB-NWDGAFQWSA-N 2 0 352.410 0.653 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000633049508 493109679 /nfs/dbraw/zinc/10/96/79/493109679.db2.gz JDACOZKIZYDYRP-LDBYLJPUSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@@H+](C2CCC2)C1 ZINC000627233325 493113841 /nfs/dbraw/zinc/11/38/41/493113841.db2.gz DVBIJUBAHKRXNT-YOEHRIQHSA-N 2 0 361.494 0.828 20 0 FCADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627234655 493114440 /nfs/dbraw/zinc/11/44/40/493114440.db2.gz KCXPUCRKZCNETN-DOTOQJQBSA-N 2 0 355.446 0.580 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248724 493116867 /nfs/dbraw/zinc/11/68/67/493116867.db2.gz YILDNURRLWCTRG-OAHLLOKOSA-N 2 0 353.511 0.474 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633079751 493117872 /nfs/dbraw/zinc/11/78/72/493117872.db2.gz YQZHPKMPLWGJPD-IYBDPMFKSA-N 2 0 362.449 0.679 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633089941 493120750 /nfs/dbraw/zinc/12/07/50/493120750.db2.gz TXWFYZUZVRLYRM-GBESFXJTSA-N 2 0 370.497 0.930 20 0 FCADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627291740 493135855 /nfs/dbraw/zinc/13/58/55/493135855.db2.gz CWQAYOJAGWJLKI-DLBZAZTESA-N 2 0 360.458 0.044 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627292317 493136670 /nfs/dbraw/zinc/13/66/70/493136670.db2.gz RLHUAJYGSGQWJI-IAGOWNOFSA-N 2 0 362.474 0.290 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297115 493139013 /nfs/dbraw/zinc/13/90/13/493139013.db2.gz BRBVJCICURWENZ-CABCVRRESA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000640868212 493141645 /nfs/dbraw/zinc/14/16/45/493141645.db2.gz ZXMOSCMJDPRXJD-BBWFWOEESA-N 2 0 362.474 0.740 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627320256 493151098 /nfs/dbraw/zinc/15/10/98/493151098.db2.gz XBZULDYGVDMNGK-GOSISDBHSA-N 2 0 374.485 0.119 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627321368 493151377 /nfs/dbraw/zinc/15/13/77/493151377.db2.gz LJWXHSRVZPRILP-HUUCEWRRSA-N 2 0 368.865 0.164 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCCCCC1 ZINC000627324958 493153745 /nfs/dbraw/zinc/15/37/45/493153745.db2.gz UPRKQIPECNMJGI-MRXNPFEDSA-N 2 0 356.511 0.437 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000627329036 493156290 /nfs/dbraw/zinc/15/62/90/493156290.db2.gz XVPUCVNHIUKIRB-AKHDSKFASA-N 2 0 370.497 0.881 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627336759 493159391 /nfs/dbraw/zinc/15/93/91/493159391.db2.gz JFVOJGAKERDMTJ-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091846 493162099 /nfs/dbraw/zinc/16/20/99/493162099.db2.gz QQNSUKSMLCEBGU-FGTMMUONSA-N 2 0 371.485 0.823 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091851 493162265 /nfs/dbraw/zinc/16/22/65/493162265.db2.gz QUKDIIDFQWCOBO-GVDBMIGSSA-N 2 0 363.506 0.608 20 0 FCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000627362571 493179124 /nfs/dbraw/zinc/17/91/24/493179124.db2.gz QNQUUHDNZAPUAC-RYQLBKOJSA-N 2 0 358.486 0.881 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627365082 493180407 /nfs/dbraw/zinc/18/04/07/493180407.db2.gz FFQWCWVMALPWID-YPMHNXCESA-N 2 0 364.412 0.573 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627365496 493180923 /nfs/dbraw/zinc/18/09/23/493180923.db2.gz QICMQLHVYGPKJN-XQQFMLRXSA-N 2 0 366.428 0.819 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627365494 493180934 /nfs/dbraw/zinc/18/09/34/493180934.db2.gz QICMQLHVYGPKJN-AVGNSLFASA-N 2 0 366.428 0.819 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627380017 493189255 /nfs/dbraw/zinc/18/92/55/493189255.db2.gz FMJKYAMXWGBDNU-ZBFHGGJFSA-N 2 0 362.474 0.337 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659505872 493202807 /nfs/dbraw/zinc/20/28/07/493202807.db2.gz HHZQEUPPYDTOND-ROUUACIJSA-N 2 0 363.481 0.866 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538762 493208476 /nfs/dbraw/zinc/20/84/76/493208476.db2.gz LYRZYPVIQWJVQQ-OLZOCXBDSA-N 2 0 351.417 0.606 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659549399 493211321 /nfs/dbraw/zinc/21/13/21/493211321.db2.gz LLLITCQHXFZHDL-ULQDDVLXSA-N 2 0 350.438 0.949 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548963 493211517 /nfs/dbraw/zinc/21/15/17/493211517.db2.gz JPUHURGGTWNFJT-MSOLQXFVSA-N 2 0 362.474 0.431 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000672593302 493212488 /nfs/dbraw/zinc/21/24/88/493212488.db2.gz JIDFRFKGLPFVNK-PBHICJAKSA-N 2 0 364.465 0.973 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000659589681 493217860 /nfs/dbraw/zinc/21/78/60/493217860.db2.gz WZCHYZIUCIPIIS-HUUCEWRRSA-N 2 0 374.420 0.725 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000659616519 493220802 /nfs/dbraw/zinc/22/08/02/493220802.db2.gz LPSSJVMEOHLVCP-NNVNDSJASA-N 2 0 358.486 0.921 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659611981 493220925 /nfs/dbraw/zinc/22/09/25/493220925.db2.gz UVMIHAGXESCJQO-ULQDDVLXSA-N 2 0 365.522 0.761 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659630948 493224116 /nfs/dbraw/zinc/22/41/16/493224116.db2.gz XIJAICLKNRELRX-KBPBESRZSA-N 2 0 364.450 0.036 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659640877 493227472 /nfs/dbraw/zinc/22/74/72/493227472.db2.gz KFUHHYBSUITJMG-QGZVFWFLSA-N 2 0 365.522 0.605 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000672695133 493234767 /nfs/dbraw/zinc/23/47/67/493234767.db2.gz JKYVLQUKEFIAOL-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000672696284 493234941 /nfs/dbraw/zinc/23/49/41/493234941.db2.gz BKPQZMBEFOIJMT-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000672697706 493235600 /nfs/dbraw/zinc/23/56/00/493235600.db2.gz WVOQZXNGEYNCHQ-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659673381 493244018 /nfs/dbraw/zinc/24/40/18/493244018.db2.gz CGZSDPMSCMGWRB-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000666978273 493245257 /nfs/dbraw/zinc/24/52/57/493245257.db2.gz VVMJENSLPGALDU-HLLBOEOZSA-N 2 0 354.495 0.336 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659680548 493248319 /nfs/dbraw/zinc/24/83/19/493248319.db2.gz YWFIAWQMBCFLNG-CABCVRRESA-N 2 0 354.495 0.066 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000659681829 493248763 /nfs/dbraw/zinc/24/87/63/493248763.db2.gz BLEPSBGMEZDBFN-AWEZNQCLSA-N 2 0 356.536 0.578 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000659688338 493254297 /nfs/dbraw/zinc/25/42/97/493254297.db2.gz XVPUCVNHIUKIRB-INDMIFKZSA-N 2 0 370.497 0.881 20 0 FCADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC000667181630 493265293 /nfs/dbraw/zinc/26/52/93/493265293.db2.gz HXPWNKPOOIHNDS-STQMWFEESA-N 2 0 372.473 0.343 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659710395 493266850 /nfs/dbraw/zinc/26/68/50/493266850.db2.gz RCFHOYLAWGXYTP-KSZLIROESA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCC1 ZINC000682089889 493268929 /nfs/dbraw/zinc/26/89/29/493268929.db2.gz TZLHSTKOEJLQNL-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718565 493270101 /nfs/dbraw/zinc/27/01/01/493270101.db2.gz RGGHYFIEBBDOAV-CZUORRHYSA-N 2 0 366.506 0.454 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666514 493271706 /nfs/dbraw/zinc/27/17/06/493271706.db2.gz FQJVZKCQSJLGBY-MSOLQXFVSA-N 2 0 352.523 0.774 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000659721231 493271787 /nfs/dbraw/zinc/27/17/87/493271787.db2.gz YRDWALCJYJHCEP-KRWDZBQOSA-N 2 0 350.507 0.858 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)[NH2+]1 ZINC000659726672 493274554 /nfs/dbraw/zinc/27/45/54/493274554.db2.gz BDTPVENWCNAGDK-HZPDHXFCSA-N 2 0 373.501 0.619 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727918 493275229 /nfs/dbraw/zinc/27/52/29/493275229.db2.gz GZLRIPJLFRSENH-KRWDZBQOSA-N 2 0 359.474 0.230 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000659729531 493276331 /nfs/dbraw/zinc/27/63/31/493276331.db2.gz OSVCGGOMFWFTDP-UHFFFAOYSA-N 2 0 373.501 0.798 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659730938 493277643 /nfs/dbraw/zinc/27/76/43/493277643.db2.gz VUAKZNAWWQEWOV-HDICACEKSA-N 2 0 371.485 0.088 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000659739082 493280402 /nfs/dbraw/zinc/28/04/02/493280402.db2.gz MXFKCRWVUGNEKR-UKPHBRMFSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000667403048 493282902 /nfs/dbraw/zinc/28/29/02/493282902.db2.gz RRLLBAOMQQQQNB-CJNGLKHVSA-N 2 0 364.446 0.140 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000667403046 493282992 /nfs/dbraw/zinc/28/29/92/493282992.db2.gz RRLLBAOMQQQQNB-BBRMVZONSA-N 2 0 364.446 0.140 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000667402872 493283087 /nfs/dbraw/zinc/28/30/87/493283087.db2.gz OJBXONHUPBRNHV-BBRMVZONSA-N 2 0 364.446 0.140 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000659751329 493286109 /nfs/dbraw/zinc/28/61/09/493286109.db2.gz GNXNGMHFCQSENS-CQSZACIVSA-N 2 0 350.463 0.310 20 0 FCADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659757362 493286978 /nfs/dbraw/zinc/28/69/78/493286978.db2.gz XITIMEADGLWZNB-HNNXBMFYSA-N 2 0 361.490 0.871 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000659756833 493287033 /nfs/dbraw/zinc/28/70/33/493287033.db2.gz VNHVTEKCXDCFBA-AWEZNQCLSA-N 2 0 350.507 0.810 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667799454 493302738 /nfs/dbraw/zinc/30/27/38/493302738.db2.gz WBBQNNFJGHDYNV-QGZVFWFLSA-N 2 0 372.473 0.498 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000673275234 493309579 /nfs/dbraw/zinc/30/95/79/493309579.db2.gz OAPXMWFJPZFCPF-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351072 493320499 /nfs/dbraw/zinc/32/04/99/493320499.db2.gz JGODILIHVIPVHE-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000673465160 493331301 /nfs/dbraw/zinc/33/13/01/493331301.db2.gz PNIWEDFPEKMMIQ-HOTGVXAUSA-N 2 0 370.538 0.648 20 0 FCADRP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000673470510 493332016 /nfs/dbraw/zinc/33/20/16/493332016.db2.gz OSZWOOFFTBREIC-CVEARBPZSA-N 2 0 356.511 0.258 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668548020 493374237 /nfs/dbraw/zinc/37/42/37/493374237.db2.gz DFWIQYPRCJBVSH-JKSUJKDBSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668633999 493388007 /nfs/dbraw/zinc/38/80/07/493388007.db2.gz YLIMYEICQNPRFA-OAHLLOKOSA-N 2 0 354.495 0.202 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000674326699 493409010 /nfs/dbraw/zinc/40/90/10/493409010.db2.gz LDPMKHNQRLJOGP-QGZVFWFLSA-N 2 0 356.511 0.753 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000661314080 493426415 /nfs/dbraw/zinc/42/64/15/493426415.db2.gz ZVAKDPGTVQTIJZ-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@@H+]1C ZINC000668892658 493429716 /nfs/dbraw/zinc/42/97/16/493429716.db2.gz IXUIRTNGNWYFBV-HOCLYGCPSA-N 2 0 359.474 0.897 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668934579 493440144 /nfs/dbraw/zinc/44/01/44/493440144.db2.gz PHSLLGGLJNJBDL-WBVHZDCISA-N 2 0 366.506 0.347 20 0 FCADRP CC(C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596721 493450048 /nfs/dbraw/zinc/45/00/48/493450048.db2.gz FELFEOUZDADFAT-BDXSIMOUSA-N 2 0 362.518 0.824 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)ccn2)CC1 ZINC000669156609 493469834 /nfs/dbraw/zinc/46/98/34/493469834.db2.gz HGOZLQRQXFDDCF-DLBZAZTESA-N 2 0 358.490 0.727 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306597 493473905 /nfs/dbraw/zinc/47/39/05/493473905.db2.gz GXJSTRIOCWUWLQ-WMLDXEAASA-N 2 0 357.458 0.329 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661951290 493477940 /nfs/dbraw/zinc/47/79/40/493477940.db2.gz KXMASLIQOWNFEU-MRXNPFEDSA-N 2 0 351.495 0.420 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000675530544 493487360 /nfs/dbraw/zinc/48/73/60/493487360.db2.gz CKFFTHNGMCYNSA-UHFFFAOYSA-N 2 0 369.554 0.547 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000662159320 493493873 /nfs/dbraw/zinc/49/38/73/493493873.db2.gz XUTKLIUFOXLYJV-SFHVURJKSA-N 2 0 352.523 0.506 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662261749 493500862 /nfs/dbraw/zinc/50/08/62/493500862.db2.gz NLWQQGJEXAPRLU-KRWDZBQOSA-N 2 0 350.507 0.384 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669430848 493503779 /nfs/dbraw/zinc/50/37/79/493503779.db2.gz HGEKROBFROSYSQ-HKUYNNGSSA-N 3 0 372.517 0.987 20 0 FCADRP Cn1c2ncn(CC[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000662291372 493504063 /nfs/dbraw/zinc/50/40/63/493504063.db2.gz FYMULHHFZQHHRU-OAHLLOKOSA-N 2 0 374.489 0.145 20 0 FCADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000669444056 493504340 /nfs/dbraw/zinc/50/43/40/493504340.db2.gz QBRYVTCKEFHOHG-OWCLPIDISA-N 2 0 353.511 0.698 20 0 FCADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000675821648 493504415 /nfs/dbraw/zinc/50/44/15/493504415.db2.gz KLEKQLFNHBUCOZ-GOEBONIOSA-N 2 0 357.462 0.900 20 0 FCADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000669444057 493504443 /nfs/dbraw/zinc/50/44/43/493504443.db2.gz QBRYVTCKEFHOHG-PMPSAXMXSA-N 2 0 353.511 0.698 20 0 FCADRP O=C1CNC(=O)N1CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327007 493506862 /nfs/dbraw/zinc/50/68/62/493506862.db2.gz DDXMLRWDXDWPPT-UHFFFAOYSA-N 2 0 360.462 0.608 20 0 FCADRP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000669490331 493507722 /nfs/dbraw/zinc/50/77/22/493507722.db2.gz AKKDVQSHKNVHMY-HOCLYGCPSA-N 2 0 353.511 0.746 20 0 FCADRP CCOC1CC(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)(N2CCOCC2)C1 ZINC000669571506 493511421 /nfs/dbraw/zinc/51/14/21/493511421.db2.gz VICNQERKXLQKFC-WMTDPASSSA-N 2 0 354.495 0.825 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)nc2)CC1 ZINC000662389167 493511698 /nfs/dbraw/zinc/51/16/98/493511698.db2.gz YASWDEXIQVHWPJ-ZDUSSCGKSA-N 2 0 355.446 0.886 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662446234 493515732 /nfs/dbraw/zinc/51/57/32/493515732.db2.gz ZHTCGADSLLYIQY-AWEZNQCLSA-N 2 0 362.478 0.113 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449618 493516749 /nfs/dbraw/zinc/51/67/49/493516749.db2.gz ZPGLUHKQYULSOP-PKOBYXMFSA-N 2 0 358.486 0.696 20 0 FCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577357 493526494 /nfs/dbraw/zinc/52/64/94/493526494.db2.gz HKQJSJBLYUOWCK-UAGQMJEPSA-N 2 0 365.522 0.744 20 0 FCADRP COc1cc(CNC(=O)c2cn(CC[NH3+])nn2)ccc1OCC[NH+](C)C ZINC000662691691 493532129 /nfs/dbraw/zinc/53/21/29/493532129.db2.gz LMDZDHCEQAIORI-UHFFFAOYSA-N 2 0 362.434 0.116 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709231 493533563 /nfs/dbraw/zinc/53/35/63/493533563.db2.gz XWCJWORWLWCHKI-OIISXLGYSA-N 2 0 360.458 0.686 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758771 493540159 /nfs/dbraw/zinc/54/01/59/493540159.db2.gz STNOOUOERUUURG-HIFRSBDPSA-N 2 0 350.429 0.918 20 0 FCADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662804529 493543519 /nfs/dbraw/zinc/54/35/19/493543519.db2.gz ANWFIZORKZTKFE-INIZCTEOSA-N 2 0 358.446 0.812 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000662844584 493546280 /nfs/dbraw/zinc/54/62/80/493546280.db2.gz YWODARDHZRSHBU-OAHLLOKOSA-N 2 0 357.520 0.391 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCNC(C)=O)C2CCSCC2)CC1 ZINC000670109202 493546663 /nfs/dbraw/zinc/54/66/63/493546663.db2.gz NCODMJGGJQYRNG-UHFFFAOYSA-N 2 0 370.563 0.921 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662860120 493547436 /nfs/dbraw/zinc/54/74/36/493547436.db2.gz QMAPISHQDOXPHC-IRXDYDNUSA-N 2 0 370.457 0.309 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000662929289 493555156 /nfs/dbraw/zinc/55/51/56/493555156.db2.gz CNLCZRPUDWIXNG-UHFFFAOYSA-N 2 0 356.417 0.662 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662931063 493555902 /nfs/dbraw/zinc/55/59/02/493555902.db2.gz ZVALOZIEFMHPOR-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000662940118 493557399 /nfs/dbraw/zinc/55/73/99/493557399.db2.gz SESSCZLFGMVZQU-UHFFFAOYSA-N 2 0 354.495 0.286 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000662947997 493559568 /nfs/dbraw/zinc/55/95/68/493559568.db2.gz DVPZSCFAKXZUNA-ZWKOTPCHSA-N 2 0 358.486 0.712 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000662951080 493559937 /nfs/dbraw/zinc/55/99/37/493559937.db2.gz HYERNXVLSGPFEV-OALUTQOASA-N 2 0 372.513 0.830 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662957915 493561091 /nfs/dbraw/zinc/56/10/91/493561091.db2.gz OYLXCGRIPDLWIF-BHIYHBOVSA-N 2 0 372.513 0.958 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662962515 493561305 /nfs/dbraw/zinc/56/13/05/493561305.db2.gz KAWKJANPNKNGBI-GOSISDBHSA-N 2 0 360.502 0.830 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432434 493566436 /nfs/dbraw/zinc/56/64/36/493566436.db2.gz NQKGTJLNFWHLOA-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019790 493567136 /nfs/dbraw/zinc/56/71/36/493567136.db2.gz VCXWQTHIGSMWPP-ARFHVFGLSA-N 2 0 360.506 0.900 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000670671327 493587401 /nfs/dbraw/zinc/58/74/01/493587401.db2.gz OQQNFKQCWDSFIQ-GVDBMIGSSA-N 2 0 366.506 0.202 20 0 FCADRP O=C(NCCN1Cc2ccccc2C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670783201 493596288 /nfs/dbraw/zinc/59/62/88/493596288.db2.gz WBDLBCACWSLTJN-UHFFFAOYSA-N 2 0 356.470 0.861 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663580579 493601094 /nfs/dbraw/zinc/60/10/94/493601094.db2.gz SNZJPWIZIQFOCJ-GOSISDBHSA-N 2 0 367.538 0.253 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000677737832 493614383 /nfs/dbraw/zinc/61/43/83/493614383.db2.gz COVCFEARWLULFH-UHFFFAOYSA-N 2 0 351.495 0.419 20 0 FCADRP Cc1c(NC[C@@](C)(O)C[NH+](C)C)ncnc1NC[C@](C)(O)C[NH+](C)C ZINC000663741711 493615925 /nfs/dbraw/zinc/61/59/25/493615925.db2.gz OJBGFPNFISNZAO-CALCHBBNSA-N 2 0 354.499 0.234 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000670984990 493620363 /nfs/dbraw/zinc/62/03/63/493620363.db2.gz KPUBEXGMXPDMAT-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000671070924 493629308 /nfs/dbraw/zinc/62/93/08/493629308.db2.gz SHFPSLNYIIFCKZ-PBHICJAKSA-N 2 0 354.520 0.140 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000671071572 493629397 /nfs/dbraw/zinc/62/93/97/493629397.db2.gz PRYLZPYSBGAQKK-YOEHRIQHSA-N 2 0 356.536 0.529 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091186 493631505 /nfs/dbraw/zinc/63/15/05/493631505.db2.gz VHOXTNQPGSRLRY-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671104723 493635162 /nfs/dbraw/zinc/63/51/62/493635162.db2.gz RUYKYQBLKRWVDC-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108113 493636682 /nfs/dbraw/zinc/63/66/82/493636682.db2.gz VSXVZDZTMCJDFE-HOTGVXAUSA-N 2 0 362.474 0.913 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC000679369665 493676546 /nfs/dbraw/zinc/67/65/46/493676546.db2.gz XMTSAFPEJHFUSZ-CJNGLKHVSA-N 2 0 354.414 0.758 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000671815760 493707238 /nfs/dbraw/zinc/70/72/38/493707238.db2.gz CNCOMQUOJDYTAX-DOTOQJQBSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820099 493707758 /nfs/dbraw/zinc/70/77/58/493707758.db2.gz GNGZUBJZRIXRIR-RDJZCZTQSA-N 2 0 367.538 0.070 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872628 493709654 /nfs/dbraw/zinc/70/96/54/493709654.db2.gz AHZQOHKUOGJKEM-NVXWUHKLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(C)CC1 ZINC000671872966 493709954 /nfs/dbraw/zinc/70/99/54/493709954.db2.gz NCBBEASTIKUHKG-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672007671 493723642 /nfs/dbraw/zinc/72/36/42/493723642.db2.gz LAONWRUIWMCPPV-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672014050 493724770 /nfs/dbraw/zinc/72/47/70/493724770.db2.gz POQDHXKLAABIQG-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000672014993 493725170 /nfs/dbraw/zinc/72/51/70/493725170.db2.gz PZLDGTFAAAVDEX-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306653 493753017 /nfs/dbraw/zinc/75/30/17/493753017.db2.gz RQGCEKNUKYQZAJ-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672308854 493753641 /nfs/dbraw/zinc/75/36/41/493753641.db2.gz AETHCCSBJNJCOA-MRXNPFEDSA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000672311502 493754659 /nfs/dbraw/zinc/75/46/59/493754659.db2.gz FFSRBFHZZIQAGE-XIRDDKMYSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310828 493754746 /nfs/dbraw/zinc/75/47/46/493754746.db2.gz JHBSPPNHJGRYAP-SJORKVTESA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000666152414 493760411 /nfs/dbraw/zinc/76/04/11/493760411.db2.gz XCMFJPPUULPQFJ-IBGZPJMESA-N 2 0 361.490 0.659 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000666239301 493763735 /nfs/dbraw/zinc/76/37/35/493763735.db2.gz WQCJFUOOZFPIFM-INIZCTEOSA-N 2 0 350.467 0.820 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000947964621 674369296 /nfs/dbraw/zinc/36/92/96/674369296.db2.gz HCWIDHQWLSJNJN-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419956280 536448908 /nfs/dbraw/zinc/44/89/08/536448908.db2.gz SJFMNLJTSUFTCU-MRXNPFEDSA-N 2 0 368.522 0.309 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410501592 528122636 /nfs/dbraw/zinc/12/26/36/528122636.db2.gz CYJPCXQIHJVTJE-KRWDZBQOSA-N 2 0 366.506 0.276 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967828 528977093 /nfs/dbraw/zinc/97/70/93/528977093.db2.gz IQOMTQPMVQTWGG-HXUWFJFHSA-N 2 0 358.486 0.716 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419393251 535080882 /nfs/dbraw/zinc/08/08/82/535080882.db2.gz MKTSXYGXWLIWHE-UHFFFAOYSA-N 2 0 358.486 0.761 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419158187 535081800 /nfs/dbraw/zinc/08/18/00/535081800.db2.gz WFGQHEMCWRTUJL-APWZRJJASA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419399781 535082111 /nfs/dbraw/zinc/08/21/11/535082111.db2.gz ZNXNLXDYLSAZPS-HNNXBMFYSA-N 2 0 358.486 0.747 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419385975 535086468 /nfs/dbraw/zinc/08/64/68/535086468.db2.gz DABJZSZESFBVDI-KRWDZBQOSA-N 2 0 374.485 0.044 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441007309 535120469 /nfs/dbraw/zinc/12/04/69/535120469.db2.gz CGULUQCUWJNJDZ-QGZVFWFLSA-N 2 0 369.554 0.668 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419761948 535438421 /nfs/dbraw/zinc/43/84/21/535438421.db2.gz QQJHBRKCUZQODF-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419194145 535462587 /nfs/dbraw/zinc/46/25/87/535462587.db2.gz SCTSFEPUHYYGKO-UHFFFAOYSA-N 2 0 350.438 0.632 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419759429 535462635 /nfs/dbraw/zinc/46/26/35/535462635.db2.gz XNVUHXRFNUHXKI-UHFFFAOYSA-N 2 0 354.495 0.252 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132432 535463007 /nfs/dbraw/zinc/46/30/07/535463007.db2.gz BKXXZGHYKLSRGO-QGZVFWFLSA-N 2 0 362.474 0.119 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000423521334 535542281 /nfs/dbraw/zinc/54/22/81/535542281.db2.gz LAAOAKDBNNTVCD-GOEBONIOSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423610256 535542301 /nfs/dbraw/zinc/54/23/01/535542301.db2.gz QTGIUHWVQSMITD-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419943412 535544199 /nfs/dbraw/zinc/54/41/99/535544199.db2.gz IMCCRYOKVYEEAR-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901583 535597131 /nfs/dbraw/zinc/59/71/31/535597131.db2.gz UICYYQUCFPQCCY-MSOLQXFVSA-N 2 0 373.501 0.763 20 0 FCADRP CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCC[NH2+]CC1 ZINC000435630808 535727954 /nfs/dbraw/zinc/72/79/54/535727954.db2.gz YQHJPNGYTCISGK-AWEZNQCLSA-N 2 0 362.478 0.288 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423366896 535867637 /nfs/dbraw/zinc/86/76/37/535867637.db2.gz LRHVCQSOAMCMJC-CQSZACIVSA-N 2 0 368.503 0.215 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1F ZINC000415331116 535905045 /nfs/dbraw/zinc/90/50/45/535905045.db2.gz ZXSJUFLJOSIHMV-UHFFFAOYSA-N 2 0 352.410 0.527 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000419873973 536123327 /nfs/dbraw/zinc/12/33/27/536123327.db2.gz ZHTXIIMEGCMDCX-BBRMVZONSA-N 2 0 350.438 0.660 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442797275 536306589 /nfs/dbraw/zinc/30/65/89/536306589.db2.gz WNTBRCXZGPKTEO-YIONKMFJSA-N 2 0 366.487 0.877 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000419657273 536369090 /nfs/dbraw/zinc/36/90/90/536369090.db2.gz JMZOQMXBPATUMD-CGTJXYLNSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000419180276 536416276 /nfs/dbraw/zinc/41/62/76/536416276.db2.gz ALUPHVZFCBXYHM-KRWDZBQOSA-N 2 0 362.449 0.727 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424539434 536450020 /nfs/dbraw/zinc/45/00/20/536450020.db2.gz FEISCRYXTGEMJZ-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@@H](C[NH3+])C1 ZINC000423671757 536652189 /nfs/dbraw/zinc/65/21/89/536652189.db2.gz NMRFHUIMGPJFGA-HZPDHXFCSA-N 2 0 356.511 0.528 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000423667226 536734503 /nfs/dbraw/zinc/73/45/03/536734503.db2.gz IYKBHMQXENWAKW-SJORKVTESA-N 2 0 366.506 0.428 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419753569 536745911 /nfs/dbraw/zinc/74/59/11/536745911.db2.gz NXZLIPQDOMWUSZ-CQSZACIVSA-N 2 0 356.511 0.482 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000418852498 537108229 /nfs/dbraw/zinc/10/82/29/537108229.db2.gz QSHACRPPGDKEGB-ZBFHGGJFSA-N 2 0 360.458 0.508 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000080152882 546568325 /nfs/dbraw/zinc/56/83/25/546568325.db2.gz WWNSDLQATXVSSP-MRXNPFEDSA-N 2 0 355.527 0.280 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735991 546747627 /nfs/dbraw/zinc/74/76/27/546747627.db2.gz CYBZKCMWBKCECH-TUAOUCFPSA-N 2 0 366.384 0.593 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420159059 546909809 /nfs/dbraw/zinc/90/98/09/546909809.db2.gz HPSBREKJGXYKQO-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCN1C[C@@H](C)O ZINC000433406291 546922031 /nfs/dbraw/zinc/92/20/31/546922031.db2.gz NNKDUJADXWJFAE-KFWWJZLASA-N 2 0 350.467 0.120 20 0 FCADRP C[N@H+](CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641792478 546958699 /nfs/dbraw/zinc/95/86/99/546958699.db2.gz WBLDAWMRVCOELO-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@H]1COCCN1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548764274 547063549 /nfs/dbraw/zinc/06/35/49/547063549.db2.gz FYVGUQLBTIIZES-IRXDYDNUSA-N 2 0 354.495 0.461 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000550097055 547077262 /nfs/dbraw/zinc/07/72/62/547077262.db2.gz RZJTYIHJAQVXQY-HOTGVXAUSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000550133421 547079012 /nfs/dbraw/zinc/07/90/12/547079012.db2.gz OCRDWAHYQMEWGX-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550838232 547109725 /nfs/dbraw/zinc/10/97/25/547109725.db2.gz AFNYGRMKZQSDRC-YOEHRIQHSA-N 2 0 356.536 0.483 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000550836900 547110333 /nfs/dbraw/zinc/11/03/33/547110333.db2.gz SXLKIHLVFNLGDF-QGZVFWFLSA-N 2 0 356.536 0.531 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000550840846 547111287 /nfs/dbraw/zinc/11/12/87/547111287.db2.gz VNQCTZOLXKIFLP-SFHVURJKSA-N 2 0 370.563 0.873 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550906878 547114529 /nfs/dbraw/zinc/11/45/29/547114529.db2.gz BCHZNLMTQWDDDR-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000551016673 547120163 /nfs/dbraw/zinc/12/01/63/547120163.db2.gz RXEIFWMOIGYFKS-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043023 547122536 /nfs/dbraw/zinc/12/25/36/547122536.db2.gz RIWVJDZGYACGPN-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551216969 547135433 /nfs/dbraw/zinc/13/54/33/547135433.db2.gz GNWMGBYSOHQLKL-QAPCUYQASA-N 2 0 370.563 0.873 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCSC1 ZINC000551217340 547135527 /nfs/dbraw/zinc/13/55/27/547135527.db2.gz MLSCMBATODCUIP-KRWDZBQOSA-N 2 0 356.536 0.388 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC000551215295 547135587 /nfs/dbraw/zinc/13/55/87/547135587.db2.gz JYUAVPIMTANRMA-KRWDZBQOSA-N 2 0 358.552 0.775 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000551286715 547139758 /nfs/dbraw/zinc/13/97/58/547139758.db2.gz VFKQAKXCDNJPIZ-UHFFFAOYSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176147 547193567 /nfs/dbraw/zinc/19/35/67/547193567.db2.gz YNFYCNRBDKREOA-HOTGVXAUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552190861 547194681 /nfs/dbraw/zinc/19/46/81/547194681.db2.gz JTAYCWHMUKCOHK-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000552287303 547199449 /nfs/dbraw/zinc/19/94/49/547199449.db2.gz FGZJPHWQSATKIZ-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552687197 547223992 /nfs/dbraw/zinc/22/39/92/547223992.db2.gz CENBWOJGINCQNZ-ZMSDIMECSA-N 2 0 350.507 0.822 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000553394427 547274899 /nfs/dbraw/zinc/27/48/99/547274899.db2.gz OVULHAYNLXWCNG-OAGGEKHMSA-N 2 0 354.495 0.060 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553699619 547300470 /nfs/dbraw/zinc/30/04/70/547300470.db2.gz BBJBFGVXRWNMAC-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@@H](C)O1 ZINC000553704968 547302124 /nfs/dbraw/zinc/30/21/24/547302124.db2.gz LAWKHBLRBIXGNF-VBCSKYIJSA-N 2 0 352.479 0.986 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000949010373 674392042 /nfs/dbraw/zinc/39/20/42/674392042.db2.gz CAOQCOUZJJGTES-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000949010374 674392082 /nfs/dbraw/zinc/39/20/82/674392082.db2.gz CAOQCOUZJJGTES-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)C[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735835830 598521513 /nfs/dbraw/zinc/52/15/13/598521513.db2.gz OZAZSRXSBFAORD-ZDUSSCGKSA-N 2 0 359.482 0.815 20 0 FCADRP CCC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736481805 598531078 /nfs/dbraw/zinc/53/10/78/598531078.db2.gz YKPBIWRFCAVGPD-CQSZACIVSA-N 2 0 359.482 0.817 20 0 FCADRP C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736859211 599356039 /nfs/dbraw/zinc/35/60/39/599356039.db2.gz XMDHLDOTIMFGOD-ZBFHGGJFSA-N 2 0 360.462 0.880 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000954269212 674493431 /nfs/dbraw/zinc/49/34/31/674493431.db2.gz PEJMIBDCAAJCGA-RHSMWYFYSA-N 2 0 350.507 0.728 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408571 674496454 /nfs/dbraw/zinc/49/64/54/674496454.db2.gz FZEXUOPBRBSFFE-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408246 674496508 /nfs/dbraw/zinc/49/65/08/674496508.db2.gz AICQFPLABIEFQE-OIISXLGYSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC000954414935 674497019 /nfs/dbraw/zinc/49/70/19/674497019.db2.gz ZBAXYYKFVORFSC-MXASKKJJSA-N 2 0 350.507 0.726 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000954415950 674497183 /nfs/dbraw/zinc/49/71/83/674497183.db2.gz HGEAJKXEAOKEAB-DLBZAZTESA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000955339539 674511099 /nfs/dbraw/zinc/51/10/99/674511099.db2.gz JHSGVYUFGFLNMZ-BHYGNILZSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000729617306 665736282 /nfs/dbraw/zinc/73/62/82/665736282.db2.gz ABEFYFGEEAKZFX-NCOADZHNSA-N 2 0 352.479 0.090 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000989482942 665817886 /nfs/dbraw/zinc/81/78/86/665817886.db2.gz WZGLYDURUAXDLC-IXDOHACOSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891339469 663351973 /nfs/dbraw/zinc/35/19/73/663351973.db2.gz BUAXIECJFLEAPP-GXTWGEPZSA-N 2 0 365.444 0.791 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891483847 663408968 /nfs/dbraw/zinc/40/89/68/663408968.db2.gz RZJZCVQUCIKOHM-XHSDSOJGSA-N 2 0 351.495 0.465 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536034 663412190 /nfs/dbraw/zinc/41/21/90/663412190.db2.gz BJCSRGHVQYVFEX-JHJVBQTASA-N 2 0 352.401 0.876 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536037 663412202 /nfs/dbraw/zinc/41/22/02/663412202.db2.gz BJCSRGHVQYVFEX-YNEHKIRRSA-N 2 0 352.401 0.876 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559639 663415512 /nfs/dbraw/zinc/41/55/12/663415512.db2.gz GSYOXMXGXLXXMB-UONOGXRCSA-N 2 0 359.465 0.699 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891564443 663415533 /nfs/dbraw/zinc/41/55/33/663415533.db2.gz NHCQFJKASLZYJX-DLBZAZTESA-N 2 0 353.511 0.306 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567020 663416059 /nfs/dbraw/zinc/41/60/59/663416059.db2.gz UOJVVCBXOQZWNI-QGZVFWFLSA-N 2 0 355.527 0.553 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000891694369 663428069 /nfs/dbraw/zinc/42/80/69/663428069.db2.gz MARMKQBUOFODMP-NWANDNLSSA-N 2 0 360.449 0.908 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891781328 663436308 /nfs/dbraw/zinc/43/63/08/663436308.db2.gz YWLSHORHGITXOB-INIZCTEOSA-N 2 0 356.511 0.803 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000891927532 663450105 /nfs/dbraw/zinc/45/01/05/663450105.db2.gz VEJJBMDXTSVESH-UHFFFAOYSA-N 2 0 351.495 0.513 20 0 FCADRP [NH3+]C1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892025463 663468549 /nfs/dbraw/zinc/46/85/49/663468549.db2.gz XLEPHXFBMISXKE-OFLPRAFFSA-N 2 0 353.511 0.352 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000892091463 663475420 /nfs/dbraw/zinc/47/54/20/663475420.db2.gz KUDWZHHBIJNTBD-TUVASFSCSA-N 2 0 351.451 0.080 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108859 663477359 /nfs/dbraw/zinc/47/73/59/663477359.db2.gz WZNDJQSJLKBDFC-ZDUSSCGKSA-N 2 0 353.433 0.983 20 0 FCADRP COCC1(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000892111893 663477672 /nfs/dbraw/zinc/47/76/72/663477672.db2.gz FPFFHXOBXMOBON-VXGBXAGGSA-N 2 0 352.401 0.781 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926356245 663479568 /nfs/dbraw/zinc/47/95/68/663479568.db2.gz JGNCBHCKSHKLRA-HNNXBMFYSA-N 2 0 354.495 0.143 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892161024 663483600 /nfs/dbraw/zinc/48/36/00/663483600.db2.gz YOPRPNDQSJRABM-TUVASFSCSA-N 2 0 351.451 0.095 20 0 FCADRP [NH3+]CC1(CCNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892218727 663495151 /nfs/dbraw/zinc/49/51/51/663495151.db2.gz KLZXAJUNVWQWEJ-INIZCTEOSA-N 2 0 353.511 0.211 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])[NH2+]C1 ZINC000892384511 663797685 /nfs/dbraw/zinc/79/76/85/663797685.db2.gz MPTDBGUFDJQHIZ-CABCVRRESA-N 2 0 353.511 0.794 20 0 FCADRP C[NH+]1CCC(C[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000310661593 663999955 /nfs/dbraw/zinc/99/99/55/663999955.db2.gz ZLIHXLZHJRUNHU-UHFFFAOYSA-N 2 0 354.495 0.997 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2CNCc2cnn(C)n2)O1 ZINC001024999194 664035175 /nfs/dbraw/zinc/03/51/75/664035175.db2.gz UGQBOBKFGHQRQB-FVQBIDKESA-N 2 0 350.467 0.005 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000973334319 664100137 /nfs/dbraw/zinc/10/01/37/664100137.db2.gz CFSWRJCMZODDFC-OVYGPGRDSA-N 2 0 350.507 0.822 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCC[N@H+]1CCCO ZINC000892760539 664138644 /nfs/dbraw/zinc/13/86/44/664138644.db2.gz UIVGEBFTIMKCEL-HZPDHXFCSA-N 2 0 354.495 0.291 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000892918457 664154415 /nfs/dbraw/zinc/15/44/15/664154415.db2.gz FLIIMSJDYOUMSP-GOEBONIOSA-N 2 0 351.495 0.275 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892935872 664159799 /nfs/dbraw/zinc/15/97/99/664159799.db2.gz WFUQAFQXLOLGEQ-MJBXVCDLSA-N 2 0 351.451 0.177 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789514 664190559 /nfs/dbraw/zinc/19/05/59/664190559.db2.gz CTNKHICPVNKWSK-SLVGVXIZSA-N 2 0 351.491 0.161 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000974188823 664226946 /nfs/dbraw/zinc/22/69/46/664226946.db2.gz SVHQGXKAZDSDSM-WCXIOVBPSA-N 2 0 350.507 0.822 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974189441 664227592 /nfs/dbraw/zinc/22/75/92/664227592.db2.gz GVEIDIGDIOMBPO-UUAJXVIYSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000974193081 664227813 /nfs/dbraw/zinc/22/78/13/664227813.db2.gz YDITZKVUEBQRNP-DMRKSPOLSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423617637 664446394 /nfs/dbraw/zinc/44/63/94/664446394.db2.gz WCLWCIMSAKYCSN-GOSISDBHSA-N 2 0 364.515 0.993 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978869565 664448360 /nfs/dbraw/zinc/44/83/60/664448360.db2.gz GPUPHQPUUNZWEV-OVYGPGRDSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000979865375 664464407 /nfs/dbraw/zinc/46/44/07/664464407.db2.gz YGQWZFDPCHTJPC-HHARLNAUSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC000981196839 664816455 /nfs/dbraw/zinc/81/64/55/664816455.db2.gz ZILIKDNJZRQALK-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981651662 664834327 /nfs/dbraw/zinc/83/43/27/664834327.db2.gz XQAGMUZEEXBFFC-BHYGNILZSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)NC)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282867 664864336 /nfs/dbraw/zinc/86/43/36/664864336.db2.gz INUHUDHCWJHJDP-QGWWYQLQSA-N 2 0 350.507 0.633 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000893740586 664872867 /nfs/dbraw/zinc/87/28/67/664872867.db2.gz FFKACERXVVEQKB-IAGOWNOFSA-N 2 0 354.495 0.120 20 0 FCADRP COCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546856 664902002 /nfs/dbraw/zinc/90/20/02/664902002.db2.gz HELDWDVMHVEXES-NXHRZFHOSA-N 2 0 353.507 0.818 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC000983713910 664985525 /nfs/dbraw/zinc/98/55/25/664985525.db2.gz NMHSEGYPKFISJC-SMLCLMEVSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000984016018 665013768 /nfs/dbraw/zinc/01/37/68/665013768.db2.gz QLVHHPJIHYDIBK-AAVRWANBSA-N 2 0 369.897 0.777 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895969140 665065879 /nfs/dbraw/zinc/06/58/79/665065879.db2.gz XXWINULURIHHAK-INIZCTEOSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300261 665079923 /nfs/dbraw/zinc/07/99/23/665079923.db2.gz FVQRPCXOTQMQGL-QZWWFDLISA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984895703 665113812 /nfs/dbraw/zinc/11/38/12/665113812.db2.gz NNBINMVQOSPUAH-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC000985442082 665167687 /nfs/dbraw/zinc/16/76/87/665167687.db2.gz PLTCXXCCWDRBIV-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1cccs1 ZINC000418822796 674689740 /nfs/dbraw/zinc/68/97/40/674689740.db2.gz BFDQYTYKRKLRQN-GUYCJALGSA-N 2 0 350.488 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001029966522 665219647 /nfs/dbraw/zinc/21/96/47/665219647.db2.gz WKDSHLOCJMAERA-OIISXLGYSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000263046186 665228075 /nfs/dbraw/zinc/22/80/75/665228075.db2.gz UBKWCZZMHSCYPS-HOCLYGCPSA-N 2 0 354.476 0.770 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000987954889 665271227 /nfs/dbraw/zinc/27/12/27/665271227.db2.gz XUTPBUCGFHZQHN-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988099731 665275461 /nfs/dbraw/zinc/27/54/61/665275461.db2.gz WUDVIMNZWCGDAZ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000938039947 665313092 /nfs/dbraw/zinc/31/30/92/665313092.db2.gz PRCBNAMVPMTUCY-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000988776580 665314220 /nfs/dbraw/zinc/31/42/20/665314220.db2.gz WOHZTWWHQJTOJD-VYDXJSESSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000988783173 665314349 /nfs/dbraw/zinc/31/43/49/665314349.db2.gz PBZOPPHVDBNGSY-PBHICJAKSA-N 2 0 350.507 0.918 20 0 FCADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[C@]1(O)CCOC1 ZINC000905202665 666012003 /nfs/dbraw/zinc/01/20/03/666012003.db2.gz HOJOJSNSCQJLBY-CEXWTWQISA-N 2 0 350.459 0.245 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000911079331 666310555 /nfs/dbraw/zinc/31/05/55/666310555.db2.gz XOSCRPUQDFYOEG-ZDUSSCGKSA-N 2 0 350.488 0.684 20 0 FCADRP [NH3+][C@@H](CC(=O)NCCCN1CC[NH2+]CC1)Cc1cc(F)c(F)cc1F ZINC000911629992 666369650 /nfs/dbraw/zinc/36/96/50/666369650.db2.gz MMZBZPRCBJQECW-CYBMUJFWSA-N 2 0 358.408 0.775 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911775430 666373083 /nfs/dbraw/zinc/37/30/83/666373083.db2.gz SRTQFHDSUGIWSJ-CYBMUJFWSA-N 2 0 358.408 0.727 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000911775475 666373086 /nfs/dbraw/zinc/37/30/86/666373086.db2.gz PUXWAWLXIAFOKD-UHFFFAOYSA-N 2 0 351.520 0.662 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000938467771 666468340 /nfs/dbraw/zinc/46/83/40/666468340.db2.gz PJMIRYIBVGBEIA-NXOAAHMSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000940761323 666560089 /nfs/dbraw/zinc/56/00/89/666560089.db2.gz BAQKRNMMSZTRTP-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000940771264 666561802 /nfs/dbraw/zinc/56/18/02/666561802.db2.gz HKAHJBWLWKFEEX-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000992401043 666636059 /nfs/dbraw/zinc/63/60/59/666636059.db2.gz PNXWEBKGWPNWSV-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913683525 666641822 /nfs/dbraw/zinc/64/18/22/666641822.db2.gz GXHCXVHWNKYQPJ-HNNXBMFYSA-N 2 0 355.479 0.177 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)[NH+](C)C ZINC000942549408 666736186 /nfs/dbraw/zinc/73/61/86/666736186.db2.gz SZTFCTQIDKXVSW-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000943285829 666768588 /nfs/dbraw/zinc/76/85/88/666768588.db2.gz PISJJPTUSOUILE-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000731490745 666822806 /nfs/dbraw/zinc/82/28/06/666822806.db2.gz SDZCFNDHHPVUAL-UHFFFAOYSA-N 2 0 371.595 0.981 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000944210140 666835472 /nfs/dbraw/zinc/83/54/72/666835472.db2.gz KXDVBLBAOZCPRM-VQHPVUNQSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214112 666853266 /nfs/dbraw/zinc/85/32/66/666853266.db2.gz HAOROMGEFCCVTO-NNFUDEMPSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827258 666891606 /nfs/dbraw/zinc/89/16/06/666891606.db2.gz TZBVBOZFBXXMIM-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000993846219 666943424 /nfs/dbraw/zinc/94/34/24/666943424.db2.gz XXPCAVJGMRTDIM-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC[NH+]3CC)C2)CC[N@@H+]1C ZINC000993882311 666945826 /nfs/dbraw/zinc/94/58/26/666945826.db2.gz CXCYLZSAQWFDHD-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000916017569 666986593 /nfs/dbraw/zinc/98/65/93/666986593.db2.gz HEVJQKFZXBNSNO-INIZCTEOSA-N 2 0 357.568 0.056 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000994246713 666993628 /nfs/dbraw/zinc/99/36/28/666993628.db2.gz DZEGHQYJRJRFGZ-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(NC(=S)NCCCC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000920310306 667235040 /nfs/dbraw/zinc/23/50/40/667235040.db2.gz ZLVPXLLFSOSLAC-UHFFFAOYSA-N 2 0 355.552 0.522 20 0 FCADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)[NH+](C)C ZINC001002823311 667566343 /nfs/dbraw/zinc/56/63/43/667566343.db2.gz BHMLDKIFYGMMMG-XLMAVXFVSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC001002852355 667571132 /nfs/dbraw/zinc/57/11/32/667571132.db2.gz OHUDUNHGSYVLLY-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCN(CC)C3=O)CC2)CC[N@@H+]1C ZINC001002858319 667571823 /nfs/dbraw/zinc/57/18/23/667571823.db2.gz BOQARCYAMRSJBU-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)CC1 ZINC000755777547 667648154 /nfs/dbraw/zinc/64/81/54/667648154.db2.gz HIQRQTLLLZLAON-OAHLLOKOSA-N 2 0 350.463 0.709 20 0 FCADRP CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033288481 667726491 /nfs/dbraw/zinc/72/64/91/667726491.db2.gz BWBWILDSOLIQRC-KSZLIROESA-N 2 0 351.491 0.809 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001005406549 667740060 /nfs/dbraw/zinc/74/00/60/667740060.db2.gz DWNIALYLUXNWEF-NVXWUHKLSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001035375575 667777725 /nfs/dbraw/zinc/77/77/25/667777725.db2.gz KUWSMGGGJIPJKJ-OKZBNKHCSA-N 2 0 353.507 0.960 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923283067 667821976 /nfs/dbraw/zinc/82/19/76/667821976.db2.gz ZNFBIRXTTXHRIP-UONOGXRCSA-N 2 0 355.866 0.867 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000923345780 667827268 /nfs/dbraw/zinc/82/72/68/667827268.db2.gz NADDQTMGLWJRHC-LSDHHAIUSA-N 2 0 353.438 0.885 20 0 FCADRP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923489600 667840696 /nfs/dbraw/zinc/84/06/96/667840696.db2.gz PRXWZYYVGWBXOJ-CQSZACIVSA-N 2 0 352.504 0.884 20 0 FCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504461 667842079 /nfs/dbraw/zinc/84/20/79/667842079.db2.gz YCKDIZFLFSADQT-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[NH2+]CC1 ZINC000923602346 667873462 /nfs/dbraw/zinc/87/34/62/667873462.db2.gz MALZYYXAIMFYMW-UHFFFAOYSA-N 2 0 358.533 0.700 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000761676981 667893461 /nfs/dbraw/zinc/89/34/61/667893461.db2.gz GBQYCYPVOWFGHU-HOTGVXAUSA-N 2 0 354.495 0.384 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000763034714 667941243 /nfs/dbraw/zinc/94/12/43/667941243.db2.gz YYUVLOHRBRKZLH-CABCVRRESA-N 2 0 352.483 0.206 20 0 FCADRP C[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000742532472 668036960 /nfs/dbraw/zinc/03/69/60/668036960.db2.gz MITNQERHPNJBDI-NXEZZACHSA-N 2 0 358.380 0.390 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000774788117 668174001 /nfs/dbraw/zinc/17/40/01/668174001.db2.gz HNZBUJYCGXXKEE-HZPDHXFCSA-N 2 0 354.495 0.201 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121193 668788386 /nfs/dbraw/zinc/78/83/86/668788386.db2.gz DULWUNKSMSPNBY-ZBFHGGJFSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792960266 668910074 /nfs/dbraw/zinc/91/00/74/668910074.db2.gz VOUKEANOROYDPD-UHFFFAOYSA-N 2 0 353.442 0.891 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000819288325 668994719 /nfs/dbraw/zinc/99/47/19/668994719.db2.gz XOGUATBPMSDJNE-SFHVURJKSA-N 2 0 358.527 0.878 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819390868 669001166 /nfs/dbraw/zinc/00/11/66/669001166.db2.gz URCCKCXJZDWOHD-SFHVURJKSA-N 2 0 358.527 0.878 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=S)NC1CC[NH+](C)CC1)C2 ZINC000795146422 669015833 /nfs/dbraw/zinc/01/58/33/669015833.db2.gz YNAOZRPLYKSOKI-MQVJKMGUSA-N 2 0 367.563 0.628 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000822962054 669309588 /nfs/dbraw/zinc/30/95/88/669309588.db2.gz PULYRBZCVKDZIE-HOTGVXAUSA-N 2 0 354.495 0.602 20 0 FCADRP COC(=O)N1CCC(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000807526132 669497305 /nfs/dbraw/zinc/49/73/05/669497305.db2.gz RYXAQZYLEDRJCV-UHFFFAOYSA-N 2 0 357.499 0.600 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483900 669703668 /nfs/dbraw/zinc/70/36/68/669703668.db2.gz FHIKXIGRCRQVHD-ZWKOTPCHSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814206669 669877867 /nfs/dbraw/zinc/87/78/67/669877867.db2.gz DRHDOYGTAWKPGG-MRXNPFEDSA-N 2 0 369.579 0.927 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000834406973 669952517 /nfs/dbraw/zinc/95/25/17/669952517.db2.gz NHJUXNWSTHJEPR-IRXDYDNUSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000964507246 675066391 /nfs/dbraw/zinc/06/63/91/675066391.db2.gz XOPOEGXICYRLDC-QBPKDAKJSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817936281 670049366 /nfs/dbraw/zinc/04/93/66/670049366.db2.gz RIFORRSSGHGREC-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476652 670693007 /nfs/dbraw/zinc/69/30/07/670693007.db2.gz DIKWTJWZAYYBHU-JKSUJKDBSA-N 2 0 352.479 0.940 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(F)cc1C ZINC000842482794 670693833 /nfs/dbraw/zinc/69/38/33/670693833.db2.gz YQFBPXCMKOBNGC-UHFFFAOYSA-N 2 0 361.439 0.609 20 0 FCADRP C[C@@H]1CC2(C[N@@H+]1CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CCOCC2 ZINC000842637846 670706025 /nfs/dbraw/zinc/70/60/25/670706025.db2.gz UAJVVBIXZUKXKW-CQSZACIVSA-N 2 0 350.463 0.851 20 0 FCADRP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000843071691 670773160 /nfs/dbraw/zinc/77/31/60/670773160.db2.gz BWLMFBLLYBWSHH-SJLPKXTDSA-N 2 0 370.515 0.950 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000843262398 670790067 /nfs/dbraw/zinc/79/00/67/670790067.db2.gz PJFZJHDJNVQUMF-UHFFFAOYSA-N 2 0 354.495 0.193 20 0 FCADRP Cc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1S(N)(=O)=O ZINC000843364494 670808217 /nfs/dbraw/zinc/80/82/17/670808217.db2.gz FQAQTGXRFWGVRS-UHFFFAOYSA-N 2 0 366.487 0.656 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000845946379 671055427 /nfs/dbraw/zinc/05/54/27/671055427.db2.gz KMCOQYBOEQTPIL-CXAGYDPISA-N 2 0 358.483 0.014 20 0 FCADRP CCC(C)(C)[NH+]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000848495426 671280958 /nfs/dbraw/zinc/28/09/58/671280958.db2.gz HGLDRBGQXGNAML-UHFFFAOYSA-N 2 0 351.495 0.766 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111009 671318369 /nfs/dbraw/zinc/31/83/69/671318369.db2.gz RPIKTWZGSNQZKC-CQSZACIVSA-N 2 0 356.515 0.651 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000851692344 671458405 /nfs/dbraw/zinc/45/84/05/671458405.db2.gz ZYFDJUKTUBVZTK-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC000903525334 675938670 /nfs/dbraw/zinc/93/86/70/675938670.db2.gz FFXITPBIBNFFST-DYVFJYSZSA-N 2 0 365.865 0.910 20 0 FCADRP C[Si](C)(CC[NH2+]C1(CO)CCOCC1)CC[NH2+]C1(CO)CCOCC1 ZINC000859118066 671794491 /nfs/dbraw/zinc/79/44/91/671794491.db2.gz CNPAOEDNKUVNIT-UHFFFAOYSA-N 2 0 374.598 0.957 20 0 FCADRP C[Si](C)(CC[NH+]1CC[C@H](NC(N)=O)C1)CC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000859218239 671801657 /nfs/dbraw/zinc/80/16/57/671801657.db2.gz JJVISDGMOFJDEV-KBPBESRZSA-N 2 0 370.574 0.180 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000861742337 671989513 /nfs/dbraw/zinc/98/95/13/671989513.db2.gz GVEMYLTULVMVNG-KBPBESRZSA-N 2 0 352.504 0.882 20 0 FCADRP COC(=O)[C@]12C[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C[C@H]1COCC2 ZINC000903918092 675982435 /nfs/dbraw/zinc/98/24/35/675982435.db2.gz RRNGJIQXHWKCCU-UWWQBHOKSA-N 2 0 350.463 0.357 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000863769130 672152464 /nfs/dbraw/zinc/15/24/64/672152464.db2.gz SPEXJEXPRYUHDC-LLVKDONJSA-N 2 0 352.401 0.667 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000864324689 672190002 /nfs/dbraw/zinc/19/00/02/672190002.db2.gz XLEDNZLXLUGRHD-IAQYHMDHSA-N 2 0 357.380 0.777 20 0 FCADRP [NH3+][C@H]1CCN(c2cccc(CNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000864324690 672190014 /nfs/dbraw/zinc/19/00/14/672190014.db2.gz XLEDNZLXLUGRHD-NHYWBVRUSA-N 2 0 357.380 0.777 20 0 FCADRP O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000864395031 672194005 /nfs/dbraw/zinc/19/40/05/672194005.db2.gz IJWLEUADZPUBCR-GXTWGEPZSA-N 2 0 355.389 0.619 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000868232710 672390096 /nfs/dbraw/zinc/39/00/96/672390096.db2.gz RZRYPUHQLHDAGG-GDBMZVCRSA-N 2 0 372.535 0.231 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc2F)CC1 ZINC000868248892 672390578 /nfs/dbraw/zinc/39/05/78/672390578.db2.gz GCUROZJQJHFSOB-GFCCVEGCSA-N 2 0 351.426 0.370 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001055489396 676021231 /nfs/dbraw/zinc/02/12/31/676021231.db2.gz ADOSTNCCCXKSAZ-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622890 672510617 /nfs/dbraw/zinc/51/06/17/672510617.db2.gz TXMFHZRBJAMDFJ-SFHVURJKSA-N 2 0 366.531 0.980 20 0 FCADRP C/C=C(\C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583199 676025101 /nfs/dbraw/zinc/02/51/01/676025101.db2.gz DASBBGFNLVQBFZ-MMNVJINWSA-N 2 0 350.507 0.990 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001423580 676071444 /nfs/dbraw/zinc/07/14/44/676071444.db2.gz DUHSGEYFWRVAFD-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050525408 676085537 /nfs/dbraw/zinc/08/55/37/676085537.db2.gz WPQUBIWNVNFUNK-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(=O)NC)CC3)CC[N@@H+]1C ZINC001050524045 676085542 /nfs/dbraw/zinc/08/55/42/676085542.db2.gz RMWPHKXXGBRQEV-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1csc(C2CC[NH2+]CC2)n1 ZINC000877088878 672997475 /nfs/dbraw/zinc/99/74/75/672997475.db2.gz DGBYVUNQXYTMEP-CYBMUJFWSA-N 2 0 361.475 0.666 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000878969540 673091202 /nfs/dbraw/zinc/09/12/02/673091202.db2.gz VRPHHJZYQCQBIA-UHFFFAOYSA-N 2 0 352.479 0.677 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879568923 673128261 /nfs/dbraw/zinc/12/82/61/673128261.db2.gz FWUUFROTWQJZND-KZNAEPCWSA-N 2 0 352.523 0.485 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000879593810 673129855 /nfs/dbraw/zinc/12/98/55/673129855.db2.gz NZOSZKJGWFHSBH-UHFFFAOYSA-N 2 0 366.531 0.588 20 0 FCADRP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000882493452 673315558 /nfs/dbraw/zinc/31/55/58/673315558.db2.gz HRNRASFTRSIOBU-YVSFHVDLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883225280 673369307 /nfs/dbraw/zinc/36/93/07/673369307.db2.gz CVYNMNHOKDAKCY-HNNXBMFYSA-N 2 0 353.511 0.842 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883385694 673372755 /nfs/dbraw/zinc/37/27/55/673372755.db2.gz QWARWNQILFKHRS-DLBZAZTESA-N 2 0 353.511 0.175 20 0 FCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000883694158 673391346 /nfs/dbraw/zinc/39/13/46/673391346.db2.gz VJTQOLZULQDOQY-WTXIUTQJSA-N 2 0 351.495 0.463 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884286049 673443997 /nfs/dbraw/zinc/44/39/97/673443997.db2.gz WXAZKGRJZVHPRL-CABCVRRESA-N 2 0 367.291 0.955 20 0 FCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000884344331 673448928 /nfs/dbraw/zinc/44/89/28/673448928.db2.gz CMVBOQYEBKQUEK-ARFHVFGLSA-N 2 0 351.495 0.367 20 0 FCADRP Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884435887 673453347 /nfs/dbraw/zinc/45/33/47/673453347.db2.gz NOVFBDZRLQXJHI-HLLBOEOZSA-N 2 0 365.499 0.891 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000884488306 673456689 /nfs/dbraw/zinc/45/66/89/673456689.db2.gz SFQTYWPMVSNZGZ-OLZOCXBDSA-N 2 0 362.465 0.830 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884493794 673457158 /nfs/dbraw/zinc/45/71/58/673457158.db2.gz CJOBGTIGOYNNHC-IKGGRYGDSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884502368 673457787 /nfs/dbraw/zinc/45/77/87/673457787.db2.gz INNPVEWGGJILBY-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884555658 673461979 /nfs/dbraw/zinc/46/19/79/673461979.db2.gz WXGPGCPFPJMENM-WTANOLMUSA-N 2 0 350.507 0.809 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884597493 673464769 /nfs/dbraw/zinc/46/47/69/673464769.db2.gz BVEAACWCJCNPJE-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601470 673465088 /nfs/dbraw/zinc/46/50/88/673465088.db2.gz MDDVBABEAOLVFZ-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000884604223 673465410 /nfs/dbraw/zinc/46/54/10/673465410.db2.gz BVMYNHDZXBBLLF-HSBZDZAISA-N 2 0 358.433 0.481 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612497 673465894 /nfs/dbraw/zinc/46/58/94/673465894.db2.gz MSTXPVVHFSNJHU-CXAGYDPISA-N 2 0 356.536 0.434 20 0 FCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884627097 673467200 /nfs/dbraw/zinc/46/72/00/673467200.db2.gz DOFYIMVDHCTEFU-IFXJQAMLSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C[NH+]1CCCC1 ZINC000884670144 673471300 /nfs/dbraw/zinc/47/13/00/673471300.db2.gz PVNCTYMUNHWLHO-QFBILLFUSA-N 2 0 350.507 0.827 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000884710464 673475771 /nfs/dbraw/zinc/47/57/71/673475771.db2.gz JUUBWXWBZSMDJH-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000884712254 673475887 /nfs/dbraw/zinc/47/58/87/673475887.db2.gz MNPHJZMHRNBVDR-GOSISDBHSA-N 2 0 350.507 0.969 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884723284 673477322 /nfs/dbraw/zinc/47/73/22/673477322.db2.gz FVDAVVFILZZLMI-MRXNPFEDSA-N 2 0 354.495 0.206 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC[C@H]21 ZINC000884970068 673494434 /nfs/dbraw/zinc/49/44/34/673494434.db2.gz CUQAOJKQXSTDJZ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884976024 673495275 /nfs/dbraw/zinc/49/52/75/673495275.db2.gz KHZXGFCJQNMIAI-QFBILLFUSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000884976656 673495313 /nfs/dbraw/zinc/49/53/13/673495313.db2.gz WMIOJERHWAOWRL-QFBILLFUSA-N 2 0 350.507 0.953 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000885007862 673497411 /nfs/dbraw/zinc/49/74/11/673497411.db2.gz LVFPYDIBXQSBST-NQNKBUKLSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885203908 673508259 /nfs/dbraw/zinc/50/82/59/673508259.db2.gz DTCKZIZIKYDHAX-UHFFFAOYSA-N 2 0 352.454 0.960 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000885276630 673511369 /nfs/dbraw/zinc/51/13/69/673511369.db2.gz SGVZWPXFNGRTCL-RDBSUJKOSA-N 2 0 360.449 0.584 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000885285390 673512259 /nfs/dbraw/zinc/51/22/59/673512259.db2.gz KVYBCWCBTMPOSN-UONOGXRCSA-N 2 0 358.433 0.434 20 0 FCADRP COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000887303285 673626997 /nfs/dbraw/zinc/62/69/97/673626997.db2.gz PGFRFMMGQCGBKZ-IYOUNJFTSA-N 2 0 351.447 0.341 20 0 FCADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927639838 673874130 /nfs/dbraw/zinc/87/41/30/673874130.db2.gz FXBNJLMMWVWFIO-QGZVFWFLSA-N 2 0 354.495 0.338 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC[N@@H+]1C ZINC001011209439 675376930 /nfs/dbraw/zinc/37/69/30/675376930.db2.gz CXNLDMMJLYUPBL-WCXIOVBPSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001011210752 675377492 /nfs/dbraw/zinc/37/74/92/675377492.db2.gz NVNIELJGPVUSTK-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020174695 675436414 /nfs/dbraw/zinc/43/64/14/675436414.db2.gz MKWWFBIWISQGMY-QUSNUVHPSA-N 2 0 371.547 0.778 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000900694263 675708345 /nfs/dbraw/zinc/70/83/45/675708345.db2.gz CJTVMEVMKKMLOZ-SFHVURJKSA-N 2 0 353.555 0.545 20 0 FCADRP CC[C@@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000901297584 675780122 /nfs/dbraw/zinc/78/01/22/675780122.db2.gz YOFUBWZYWQGJOW-KKUMJFAQSA-N 2 0 358.552 0.727 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969221012 1167822406 /nfs/dbraw/zinc/82/24/06/1167822406.db2.gz NBWASZIFIVJMFZ-XYPHTWIQSA-N 2 0 371.441 0.120 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001167091994 1168159478 /nfs/dbraw/zinc/15/94/78/1168159478.db2.gz BAVLHONLFCOPGX-MSOLQXFVSA-N 2 0 358.486 0.660 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088605401 1192306678 /nfs/dbraw/zinc/30/66/78/1192306678.db2.gz RQXIURHRRBTCLS-PMPSAXMXSA-N 2 0 364.490 0.589 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605249 1192307509 /nfs/dbraw/zinc/30/75/09/1192307509.db2.gz MSKZXBHMLOGCJD-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001021260217 1168883219 /nfs/dbraw/zinc/88/32/19/1168883219.db2.gz DRKVKEKZTQZKOG-TZOQOTQKSA-N 2 0 365.518 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104291932 1169658767 /nfs/dbraw/zinc/65/87/67/1169658767.db2.gz AESISTDVBOKSKT-DJIMGWMZSA-N 2 0 365.522 0.426 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001021636457 1169856186 /nfs/dbraw/zinc/85/61/86/1169856186.db2.gz QBANQAYCUNQRAP-RCCFBDPRSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891350837 1170000107 /nfs/dbraw/zinc/00/01/07/1170000107.db2.gz VXKDCLAPKDYOND-FPCVCCKLSA-N 2 0 365.478 0.437 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364228 1170063383 /nfs/dbraw/zinc/06/33/83/1170063383.db2.gz SFDPCSQCWXBZRQ-LJIZCISZSA-N 2 0 363.462 0.190 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365874 1170076239 /nfs/dbraw/zinc/07/62/39/1170076239.db2.gz QSWBPCZUQKSWKG-BVUBDWEXSA-N 2 0 363.462 0.047 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022035550 1170447055 /nfs/dbraw/zinc/44/70/55/1170447055.db2.gz RKDGUFAIPVVMON-DOTOQJQBSA-N 2 0 359.474 0.662 20 0 FCADRP CCc1nc(C)cc(NCCN(CCO)C(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001111585980 1170643271 /nfs/dbraw/zinc/64/32/71/1170643271.db2.gz ZCVKHXMXGTZWOG-HUUCEWRRSA-N 2 0 365.478 0.299 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001022109852 1170672147 /nfs/dbraw/zinc/67/21/47/1170672147.db2.gz UJUCWCNDYFHSPR-UHDSXZAQSA-N 2 0 366.506 0.201 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022213311 1170760937 /nfs/dbraw/zinc/76/09/37/1170760937.db2.gz AYWYOHLJAPVJNK-GOEBONIOSA-N 2 0 356.430 0.227 20 0 FCADRP C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C[NH+](C)C ZINC000891663652 1170802607 /nfs/dbraw/zinc/80/26/07/1170802607.db2.gz BSKCGGWBCXYPIE-TUVASFSCSA-N 2 0 367.494 0.539 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1 ZINC001022257247 1170809980 /nfs/dbraw/zinc/80/99/80/1170809980.db2.gz XFVUXKSPEPJRBK-XYJFISCASA-N 2 0 367.453 0.959 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001266866457 1170833493 /nfs/dbraw/zinc/83/34/93/1170833493.db2.gz AVXVORMIFDDYBJ-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC(C)C)C2)CC[N@@H+]1C ZINC001691142862 1170840020 /nfs/dbraw/zinc/84/00/20/1170840020.db2.gz FRZRDXBERUJCNZ-YESZJQIVSA-N 2 0 352.523 0.927 20 0 FCADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000891831006 1170892826 /nfs/dbraw/zinc/89/28/26/1170892826.db2.gz YYJZUQJDLUPGBM-IRXDYDNUSA-N 2 0 358.490 0.679 20 0 FCADRP Cn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001691258703 1170925299 /nfs/dbraw/zinc/92/52/99/1170925299.db2.gz LLDVZHLUTPEFJB-JKSUJKDBSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988751222 1192437933 /nfs/dbraw/zinc/43/79/33/1192437933.db2.gz KBRVZZNMMAFLAT-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001691268472 1171003223 /nfs/dbraw/zinc/00/32/23/1171003223.db2.gz QAAMESVILJITBS-YESZJQIVSA-N 2 0 361.490 0.819 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C[NH2+]CC(N)=O ZINC001691337825 1171143173 /nfs/dbraw/zinc/14/31/73/1171143173.db2.gz KXPUJHHXSUHASV-IAGOWNOFSA-N 2 0 362.474 0.300 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001691378306 1171235343 /nfs/dbraw/zinc/23/53/43/1171235343.db2.gz DQPHYIKXEVZKOI-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972799 1171368078 /nfs/dbraw/zinc/36/80/78/1171368078.db2.gz LISFSFMJJCPMJI-IEBWSBKVSA-N 2 0 359.518 0.959 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000892233377 1171785243 /nfs/dbraw/zinc/78/52/43/1171785243.db2.gz OSBQOAHUAJMHMK-UHFFFAOYSA-N 2 0 365.522 0.892 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104409177 1171805062 /nfs/dbraw/zinc/80/50/62/1171805062.db2.gz VJVNJBYZQGHSRK-ZIAGYGMSSA-N 2 0 356.430 0.440 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4cncn4C)C[C@H]32)C1 ZINC001022719980 1171811443 /nfs/dbraw/zinc/81/14/43/1171811443.db2.gz DIZUMIMGLGQJAL-HLLBOEOZSA-N 2 0 359.474 0.364 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972251228 1171887241 /nfs/dbraw/zinc/88/72/41/1171887241.db2.gz PLOJSVBGJRKESH-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000537227318 1192788470 /nfs/dbraw/zinc/78/84/70/1192788470.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 2 0 368.522 0.233 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897560374 1192809985 /nfs/dbraw/zinc/80/99/85/1192809985.db2.gz SABNTBVMFSHRHE-HUUCEWRRSA-N 2 0 357.458 0.472 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897717571 1192844094 /nfs/dbraw/zinc/84/40/94/1192844094.db2.gz UFCOFPZSGSYMSV-BZUAXINKSA-N 2 0 359.474 0.718 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000897785857 1192846649 /nfs/dbraw/zinc/84/66/49/1192846649.db2.gz PHEITXQUTRZTMR-HNNXBMFYSA-N 2 0 359.474 0.719 20 0 FCADRP COc1cc(CN2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)on1 ZINC001691760944 1178974155 /nfs/dbraw/zinc/97/41/55/1178974155.db2.gz OBNCNTQQJDXFIX-FMKPAKJESA-N 2 0 366.462 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001023381457 1179512412 /nfs/dbraw/zinc/51/24/12/1179512412.db2.gz OEYXSYAFUBMCOE-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000892369416 1179869550 /nfs/dbraw/zinc/86/95/50/1179869550.db2.gz FIDYJPUCVUFKNV-CALCHBBNSA-N 2 0 358.490 0.536 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000659073606 1180051611 /nfs/dbraw/zinc/05/16/11/1180051611.db2.gz BIANKFJKURDOAA-DLBZAZTESA-N 2 0 368.522 0.545 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CC(=O)NC(C)C ZINC001691478049 1180181643 /nfs/dbraw/zinc/18/16/43/1180181643.db2.gz PNFBSILMVQPHLF-IXDOHACOSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2)c1nnnn1C ZINC001112518890 1180852644 /nfs/dbraw/zinc/85/26/44/1180852644.db2.gz IFWNVHPVOJRQIJ-MPGHIAIKSA-N 2 0 363.510 0.831 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000892435362 1180903081 /nfs/dbraw/zinc/90/30/81/1180903081.db2.gz XMSJYYNFGOHLDJ-XOUADPBQSA-N 2 0 365.478 0.471 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000892497862 1181356163 /nfs/dbraw/zinc/35/61/63/1181356163.db2.gz ZEAOTFCNLMDPKS-MRXNPFEDSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024650185 1181437807 /nfs/dbraw/zinc/43/78/07/1181437807.db2.gz PKPPMIQVSOVJKB-KBRIMQKVSA-N 2 0 371.441 0.120 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](O)[C@@H](F)C1 ZINC000892542906 1181843196 /nfs/dbraw/zinc/84/31/96/1181843196.db2.gz BLUFSCPRLVIJEU-IRXDYDNUSA-N 2 0 365.453 0.708 20 0 FCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000892545364 1181852261 /nfs/dbraw/zinc/85/22/61/1181852261.db2.gz VLUVTUADILFCBJ-MJGOQNOKSA-N 3 0 372.517 0.939 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001104594686 1182259236 /nfs/dbraw/zinc/25/92/36/1182259236.db2.gz DLSDQAYPDCISKD-KFWWJZLASA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104595421 1182259545 /nfs/dbraw/zinc/25/95/45/1182259545.db2.gz SICPJBKADFCGMI-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1nnnn1C ZINC001104595410 1182259701 /nfs/dbraw/zinc/25/97/01/1182259701.db2.gz SAZKDZOSGQSCRI-RBSFLKMASA-N 2 0 363.510 0.687 20 0 FCADRP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599799 1182268388 /nfs/dbraw/zinc/26/83/88/1182268388.db2.gz FOOLBVZEVFXDPR-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001104625560 1182301879 /nfs/dbraw/zinc/30/18/79/1182301879.db2.gz SEIDSFFAKAYLIF-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001104694168 1182373722 /nfs/dbraw/zinc/37/37/22/1182373722.db2.gz FGYCAPQLTCRLIK-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)n1ccnc1 ZINC001104738424 1182410956 /nfs/dbraw/zinc/41/09/56/1182410956.db2.gz UXRIOQVWVJZFIQ-RBSFLKMASA-N 2 0 360.466 0.632 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892756396 1182477972 /nfs/dbraw/zinc/47/79/72/1182477972.db2.gz OMRPBKSLEPWMPK-ZACQAIPSSA-N 2 0 366.506 0.683 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892754879 1182479971 /nfs/dbraw/zinc/47/99/71/1182479971.db2.gz CHVVJTAVSLGLFK-HZPDHXFCSA-N 2 0 366.506 0.603 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892789773 1182507005 /nfs/dbraw/zinc/50/70/05/1182507005.db2.gz SUIAOTOBIMGPNW-KRWDZBQOSA-N 2 0 361.490 0.362 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000892920577 1182577694 /nfs/dbraw/zinc/57/76/94/1182577694.db2.gz XGILJWBJXIXPBA-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052490 1182870062 /nfs/dbraw/zinc/87/00/62/1182870062.db2.gz FOOXRUPGSWUHQI-KZNAEPCWSA-N 2 0 365.522 0.271 20 0 FCADRP CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001104848781 1182955274 /nfs/dbraw/zinc/95/52/74/1182955274.db2.gz XQGHBVQQJCOJTO-BFYDXBDKSA-N 2 0 368.522 0.435 20 0 FCADRP Cc1ccnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001104908010 1182989282 /nfs/dbraw/zinc/98/92/82/1182989282.db2.gz DTWUOUQQMACXKX-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913790 1182993535 /nfs/dbraw/zinc/99/35/35/1182993535.db2.gz DNSXQOBQULCZBU-HZPDHXFCSA-N 2 0 360.506 0.968 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104937861 1183011115 /nfs/dbraw/zinc/01/11/15/1183011115.db2.gz JWWXIHIFFQSWNP-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105014438 1183068987 /nfs/dbraw/zinc/06/89/87/1183068987.db2.gz PWUCYZNYRVPRHE-HUUCEWRRSA-N 2 0 363.462 0.783 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001105016827 1183070215 /nfs/dbraw/zinc/07/02/15/1183070215.db2.gz BOPFLNJMEJGBKW-IXDOHACOSA-N 2 0 368.522 0.117 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001105042070 1183089981 /nfs/dbraw/zinc/08/99/81/1183089981.db2.gz MXVBBKFIAQCMFI-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001105042578 1183090167 /nfs/dbraw/zinc/09/01/67/1183090167.db2.gz XPPJPFDMYBGOPE-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974597502 1183375611 /nfs/dbraw/zinc/37/56/11/1183375611.db2.gz FMXHENTWTSSAIA-ARFHVFGLSA-N 2 0 365.522 0.569 20 0 FCADRP COc1coc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001026853246 1183417074 /nfs/dbraw/zinc/41/70/74/1183417074.db2.gz BMUSILAETICKKI-IIAWOOMASA-N 2 0 363.458 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001026856286 1183426895 /nfs/dbraw/zinc/42/68/95/1183426895.db2.gz XATPEJUUENKHIK-HRCADAONSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC000975203925 1183767022 /nfs/dbraw/zinc/76/70/22/1183767022.db2.gz OVQJLVYINPYHMD-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765691 1185704650 /nfs/dbraw/zinc/70/46/50/1185704650.db2.gz RLVUBLJRBYMCPI-JZXOWHBKSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1oncc1CN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481468865 1186092927 /nfs/dbraw/zinc/09/29/27/1186092927.db2.gz LERZCEPAWUHFOK-CRAIPNDOSA-N 2 0 363.506 0.899 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)CC(F)(F)F)CC2)CC[N@@H+]1C ZINC001670783884 1186372110 /nfs/dbraw/zinc/37/21/10/1186372110.db2.gz AJKZLSNBBTXFIG-VXGBXAGGSA-N 2 0 364.412 0.586 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000981412048 1186415816 /nfs/dbraw/zinc/41/58/16/1186415816.db2.gz FGFBNBFXQXMJAE-JQHSSLGASA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784974 1186520542 /nfs/dbraw/zinc/52/05/42/1186520542.db2.gz YVRNDMCGUYRHCZ-GVDBMIGSSA-N 2 0 362.518 0.825 20 0 FCADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784955 1186520573 /nfs/dbraw/zinc/52/05/73/1186520573.db2.gz YHJCATORYVWFKL-LSDHHAIUSA-N 2 0 359.474 0.758 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000893742063 1187513896 /nfs/dbraw/zinc/51/38/96/1187513896.db2.gz ZVNGOOQPWPXAST-QZTJIDSGSA-N 2 0 368.522 0.510 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001028552075 1187604112 /nfs/dbraw/zinc/60/41/12/1187604112.db2.gz FVGLVANAIVUVAE-QLFBSQMISA-N 2 0 363.462 0.782 20 0 FCADRP CCn1ccnc1C[NH2+][C@@]12CC[C@@](NC(=O)CN(C)C(N)=[NH2+])(C1)CCC2 ZINC001269992379 1187961423 /nfs/dbraw/zinc/96/14/23/1187961423.db2.gz IVLAKVOQZLPBCI-ZWKOTPCHSA-N 2 0 361.494 0.779 20 0 FCADRP C[NH+](C)CCC(=O)N1CCn2cc(C(=O)NC3CC[NH+](C)CC3)nc2C1 ZINC001270061312 1187985027 /nfs/dbraw/zinc/98/50/27/1187985027.db2.gz LVMCWIQQXLEYSR-UHFFFAOYSA-N 2 0 362.478 0.001 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)CC1 ZINC001270101169 1188009190 /nfs/dbraw/zinc/00/91/90/1188009190.db2.gz BMAHXWQHSFARTG-OXQOHEQNSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001270120046 1188020206 /nfs/dbraw/zinc/02/02/06/1188020206.db2.gz SCRDYQIBSQGMJN-OXQOHEQNSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1cncc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001270155696 1188033366 /nfs/dbraw/zinc/03/33/66/1188033366.db2.gz QJEWQEBIHIIKAW-HOTGVXAUSA-N 2 0 359.474 0.759 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550035107 1188214754 /nfs/dbraw/zinc/21/47/54/1188214754.db2.gz RLGREBCLRLWNBB-SFHVURJKSA-N 2 0 360.502 0.830 20 0 FCADRP C[C@H]([NH2+]Cc1ncnn1C)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111596 1188293741 /nfs/dbraw/zinc/29/37/41/1188293741.db2.gz KXSONAKYFUMZPO-IJEWVQPXSA-N 2 0 364.494 0.251 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)Cn2ccnc2)CC[N@@H+]1C ZINC000983892126 1188381666 /nfs/dbraw/zinc/38/16/66/1188381666.db2.gz TXNQGYMNSIWQFS-WCXIOVBPSA-N 2 0 361.490 0.967 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCOCCNC(C)=O ZINC001691516181 1188401008 /nfs/dbraw/zinc/40/10/08/1188401008.db2.gz XNANIMOZNLMRFK-IXDOHACOSA-N 2 0 354.495 0.060 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001087529874 1189385156 /nfs/dbraw/zinc/38/51/56/1189385156.db2.gz XBZYPUPFFXHQNY-GVDBMIGSSA-N 2 0 362.474 0.890 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000550458725 1189520747 /nfs/dbraw/zinc/52/07/47/1189520747.db2.gz VZYZQGBXBUVAFW-GVDBMIGSSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000550458727 1189520967 /nfs/dbraw/zinc/52/09/67/1189520967.db2.gz VZYZQGBXBUVAFW-YESZJQIVSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087726169 1189804403 /nfs/dbraw/zinc/80/44/03/1189804403.db2.gz ULJXMGVIWROBBI-HRCADAONSA-N 2 0 364.490 0.589 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000984413968 1189840552 /nfs/dbraw/zinc/84/05/52/1189840552.db2.gz YIVPDNIDLXJDMW-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895851933 1189887789 /nfs/dbraw/zinc/88/77/89/1189887789.db2.gz ZVHGOCDERJUIFW-KURKYZTESA-N 2 0 366.506 0.480 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087908615 1189893707 /nfs/dbraw/zinc/89/37/07/1189893707.db2.gz IDDWOGQYJYSUJI-HLLBOEOZSA-N 2 0 359.474 0.860 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)NC1CC1 ZINC001087967670 1190024722 /nfs/dbraw/zinc/02/47/22/1190024722.db2.gz GOCZPHHYXWBMKE-RYRKJORJSA-N 2 0 360.502 0.387 20 0 FCADRP COC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969532 1190026684 /nfs/dbraw/zinc/02/66/84/1190026684.db2.gz AACNBYJAJZTZDF-ZACQAIPSSA-N 2 0 363.506 0.874 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993745 1190144787 /nfs/dbraw/zinc/14/47/87/1190144787.db2.gz AWTPWPSZPFJSSI-RYRKJORJSA-N 2 0 362.518 0.920 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088021371 1190240653 /nfs/dbraw/zinc/24/06/53/1190240653.db2.gz IHJJMVOEFPUCRI-VKJFTORMSA-N 2 0 367.453 0.925 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053209 1190319181 /nfs/dbraw/zinc/31/91/81/1190319181.db2.gz YWZSZLVTWOCAGI-AOIWGVFYSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081814 1190466951 /nfs/dbraw/zinc/46/69/51/1190466951.db2.gz GGSWDUWYJTXQCK-FJIDUMEYSA-N 2 0 360.506 0.789 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425238 1190987153 /nfs/dbraw/zinc/98/71/53/1190987153.db2.gz OVIOXJGAQAAITL-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1 ZINC000986682797 1191085637 /nfs/dbraw/zinc/08/56/37/1191085637.db2.gz IGGMRZLHRBOFHS-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@H]1CN(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000729604981 1191119506 /nfs/dbraw/zinc/11/95/06/1191119506.db2.gz DNBMSYWWFKZGDK-KRWDZBQOSA-N 2 0 368.522 0.851 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088572009 1191207671 /nfs/dbraw/zinc/20/76/71/1191207671.db2.gz UYSLEZUFPQVMMA-BVGQSLNGSA-N 2 0 360.506 0.816 20 0 FCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618904 1191208350 /nfs/dbraw/zinc/20/83/50/1191208350.db2.gz FMJROIADBQTQJD-IRXDYDNUSA-N 2 0 366.506 0.794 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618901 1191208682 /nfs/dbraw/zinc/20/86/82/1191208682.db2.gz FMJROIADBQTQJD-IAGOWNOFSA-N 2 0 366.506 0.794 20 0 FCADRP COC(=O)[C@H](Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001218037470 1224136244 /nfs/dbraw/zinc/13/62/44/1224136244.db2.gz ZQJMNOTUHVBJSF-IKGGRYGDSA-N 2 0 363.458 0.611 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nc(C)[nH]c4C3)[C@H]2C1 ZINC001218196690 1224146539 /nfs/dbraw/zinc/14/65/39/1224146539.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 0 362.474 0.771 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cncn4C3)[C@H]2C1 ZINC001218196997 1224146763 /nfs/dbraw/zinc/14/67/63/1224146763.db2.gz XARHIYIHKRZEJV-RYQLBKOJSA-N 2 0 362.474 0.784 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000550653259 1193725335 /nfs/dbraw/zinc/72/53/35/1193725335.db2.gz IJEBJBJVQURMOT-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)sc2C1 ZINC001218532694 1224168476 /nfs/dbraw/zinc/16/84/76/1224168476.db2.gz IUQVYUCRQSVGIB-WDEREUQCSA-N 2 0 373.486 0.440 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550899669 1193819142 /nfs/dbraw/zinc/81/91/42/1193819142.db2.gz XOYQRVLJFVHTNA-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000550901430 1193819272 /nfs/dbraw/zinc/81/92/72/1193819272.db2.gz HTVKGXUIDQZOTL-DOTOQJQBSA-N 2 0 362.518 0.777 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000551022822 1193827870 /nfs/dbraw/zinc/82/78/70/1193827870.db2.gz IJPLWQONQBXCID-UHFFFAOYSA-N 2 0 368.522 0.140 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551163988 1193837939 /nfs/dbraw/zinc/83/79/39/1193837939.db2.gz IZUMUIQULGPSTG-KRWDZBQOSA-N 2 0 367.538 0.121 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655364 1193859731 /nfs/dbraw/zinc/85/97/31/1193859731.db2.gz HUNCOJLYUYGYOD-CIWUYKSXSA-N 2 0 369.550 0.923 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083469583 1193864272 /nfs/dbraw/zinc/86/42/72/1193864272.db2.gz ZDPOLGZDAOWWEJ-MOPGFXCFSA-N 2 0 371.485 0.728 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCN1CCNC1=O ZINC001088748413 1193882826 /nfs/dbraw/zinc/88/28/26/1193882826.db2.gz DKKCYAGPKCQUGQ-CJNGLKHVSA-N 2 0 356.430 0.552 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)Cn2cnc3c2CCCC3)CCN1CC(=O)N1CCC1 ZINC001088751811 1193885192 /nfs/dbraw/zinc/88/51/92/1193885192.db2.gz GYCFLJVMTXQVRW-CABCVRRESA-N 2 0 359.474 0.573 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@@H]2O)CC[N@@H+]1C ZINC001083473042 1193901578 /nfs/dbraw/zinc/90/15/78/1193901578.db2.gz FHNKVXOQQFCURK-JRJVTICQSA-N 2 0 373.497 0.761 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000552191191 1193913617 /nfs/dbraw/zinc/91/36/17/1193913617.db2.gz XBNHNDOHCZFAJV-DJIMGWMZSA-N 2 0 368.522 0.327 20 0 FCADRP CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ncn1 ZINC001218576410 1224177144 /nfs/dbraw/zinc/17/71/44/1224177144.db2.gz QKRNRMUUIYYZCO-PIGZYNQJSA-N 2 0 362.434 0.961 20 0 FCADRP O=C(CN1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)N1CCC1 ZINC001075993403 1193929778 /nfs/dbraw/zinc/92/97/78/1193929778.db2.gz SVGJISZXHXYDFD-DOTOQJQBSA-N 2 0 353.426 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667315 1193930491 /nfs/dbraw/zinc/93/04/91/1193930491.db2.gz QIWWYKBDJBOOEE-VVWQDTPRSA-N 2 0 368.522 0.040 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640601 1224188438 /nfs/dbraw/zinc/18/84/38/1224188438.db2.gz KOVCNUPSIREJHD-HNNXBMFYSA-N 2 0 371.445 0.289 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188594 1194084851 /nfs/dbraw/zinc/08/48/51/1194084851.db2.gz ITHGTTBANBYRAT-XLIONFOSSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191464 1194086096 /nfs/dbraw/zinc/08/60/96/1194086096.db2.gz XYTKZJBIMYEIBH-FXAWDEMLSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842187761 1194086372 /nfs/dbraw/zinc/08/63/72/1194086372.db2.gz ADGVSRCQXZJALO-FXAWDEMLSA-N 2 0 374.485 0.201 20 0 FCADRP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218661369 1224191948 /nfs/dbraw/zinc/19/19/48/1224191948.db2.gz VAAIMJPALDFSMU-ZDUSSCGKSA-N 2 0 360.418 0.508 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228727 1194107999 /nfs/dbraw/zinc/10/79/99/1194107999.db2.gz AUHAACCUCYCYCT-SFHVURJKSA-N 2 0 360.502 0.898 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228895 1194108459 /nfs/dbraw/zinc/10/84/59/1194108459.db2.gz CDKDGWRPSWFWQX-MSOLQXFVSA-N 2 0 358.486 0.747 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@H]21 ZINC000842230191 1194110122 /nfs/dbraw/zinc/11/01/22/1194110122.db2.gz WMCKKQKTEVNMMV-QZTJIDSGSA-N 2 0 358.486 0.747 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524031 1194154925 /nfs/dbraw/zinc/15/49/25/1194154925.db2.gz DVNLJRUDUFKLHR-KSZLIROESA-N 2 0 363.506 0.387 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]Cc4ccnn4C3)cn2)CC1 ZINC001218725599 1224205828 /nfs/dbraw/zinc/20/58/28/1224205828.db2.gz YOUNZONKSPYDBY-CYBMUJFWSA-N 2 0 355.446 0.564 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076107498 1194308766 /nfs/dbraw/zinc/30/87/66/1194308766.db2.gz ZDTQLFIPHRENRS-ARFHVFGLSA-N 2 0 355.446 0.585 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001218730473 1224207510 /nfs/dbraw/zinc/20/75/10/1224207510.db2.gz BOFHIGBDCGFLDC-BRWVUGGUSA-N 2 0 359.474 0.977 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1)C1CC[NH2+]CC1 ZINC001218744906 1224209894 /nfs/dbraw/zinc/20/98/94/1224209894.db2.gz OFFNSVNRIQVFPM-MRXNPFEDSA-N 2 0 358.446 0.889 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239956 1194362762 /nfs/dbraw/zinc/36/27/62/1194362762.db2.gz DWLXBPVGVPIXSL-RYQLBKOJSA-N 2 0 358.486 0.902 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242827 1194369717 /nfs/dbraw/zinc/36/97/17/1194369717.db2.gz SWAVWFDPZHNLJZ-RYQLBKOJSA-N 2 0 358.486 0.760 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795547 1224221570 /nfs/dbraw/zinc/22/15/70/1224221570.db2.gz LYWKMYKXPVNPHY-DNVCBOLYSA-N 2 0 368.522 0.138 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504679 1194529681 /nfs/dbraw/zinc/52/96/81/1194529681.db2.gz LWTKUHDBHUGGBM-USXIJHARSA-N 2 0 359.474 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567736 1194574685 /nfs/dbraw/zinc/57/46/85/1194574685.db2.gz HBDLYPLASRGNBF-OKZBNKHCSA-N 2 0 356.470 0.770 20 0 FCADRP CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218798307 1224226820 /nfs/dbraw/zinc/22/68/20/1224226820.db2.gz OZCBOQKHZDSCLG-LBPRGKRZSA-N 2 0 356.430 0.586 20 0 FCADRP Cc1ccc(CO)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218811409 1224228232 /nfs/dbraw/zinc/22/82/32/1224228232.db2.gz IBFOYOJUAZXFRW-RDJZCZTQSA-N 2 0 362.474 0.873 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874891 1224243319 /nfs/dbraw/zinc/24/33/19/1224243319.db2.gz ZCCRQNVKPSYEKI-UHFFFAOYSA-N 2 0 361.490 0.081 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001218880825 1224245403 /nfs/dbraw/zinc/24/54/03/1224245403.db2.gz IOYBIDWRPCDTBD-AWEZNQCLSA-N 2 0 368.441 0.287 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218881075 1224246713 /nfs/dbraw/zinc/24/67/13/1224246713.db2.gz PXALZLLCGFNVHC-OKZBNKHCSA-N 2 0 369.506 0.026 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001218881823 1224247610 /nfs/dbraw/zinc/24/76/10/1224247610.db2.gz HLOZNXHBHUQBQH-LXZKKBNFSA-N 2 0 358.442 0.295 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)C1=O ZINC001276798160 1224248822 /nfs/dbraw/zinc/24/88/22/1224248822.db2.gz BBRJVZPYZTXYHU-HNAYVOBHSA-N 2 0 369.506 0.565 20 0 FCADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)cc1 ZINC001218896065 1224250473 /nfs/dbraw/zinc/25/04/73/1224250473.db2.gz MITMSPKFBZZUPT-OAHLLOKOSA-N 2 0 369.473 0.799 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]21 ZINC001218905751 1224252279 /nfs/dbraw/zinc/25/22/79/1224252279.db2.gz XYNIMRMUZWVTKO-FGTMMUONSA-N 2 0 371.522 0.273 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)COC1(C)C ZINC001218937998 1224266142 /nfs/dbraw/zinc/26/61/42/1224266142.db2.gz MMQINUWDJWKICR-LRDDRELGSA-N 2 0 360.458 0.624 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001218971315 1224274903 /nfs/dbraw/zinc/27/49/03/1224274903.db2.gz YBMHNABHIGVUJV-FGTMMUONSA-N 2 0 369.506 0.293 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)c1 ZINC001218970191 1224275006 /nfs/dbraw/zinc/27/50/06/1224275006.db2.gz FTSNDMJVZWBLLI-RBUKOAKNSA-N 2 0 361.486 0.985 20 0 FCADRP COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218987849 1224279676 /nfs/dbraw/zinc/27/96/76/1224279676.db2.gz NROAUMVJRWZVOZ-LBPRGKRZSA-N 2 0 360.418 0.038 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)OC ZINC001077366337 1195466374 /nfs/dbraw/zinc/46/63/74/1195466374.db2.gz BYMMALRMWGDHQT-DJIMGWMZSA-N 2 0 359.430 0.467 20 0 FCADRP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417803 1195516734 /nfs/dbraw/zinc/51/67/34/1195516734.db2.gz AVANFNWAYHQMCJ-KJBWJIBOSA-N 2 0 371.481 0.520 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)C1 ZINC000904468636 1195539711 /nfs/dbraw/zinc/53/97/11/1195539711.db2.gz DAASICFNJGDYPY-MRXNPFEDSA-N 2 0 366.506 0.335 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000905398140 1195584623 /nfs/dbraw/zinc/58/46/23/1195584623.db2.gz BRTUIQXRTUNFKF-UHFFFAOYSA-N 2 0 373.545 0.414 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)c(C)c2)CC1 ZINC000906698281 1195645975 /nfs/dbraw/zinc/64/59/75/1195645975.db2.gz WCKAJCCSFZDDDT-UHFFFAOYSA-N 2 0 359.474 0.683 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2F)CC1 ZINC000906692508 1195650351 /nfs/dbraw/zinc/65/03/51/1195650351.db2.gz ANOLXKDAAQCUIP-UHFFFAOYSA-N 2 0 363.437 0.514 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1ccccc1NC(=O)c1cnccn1)C1CC[NH2+]CC1 ZINC001219020824 1224295761 /nfs/dbraw/zinc/29/57/61/1224295761.db2.gz OEKNXVHXHSSEMW-MRXNPFEDSA-N 2 0 354.414 0.994 20 0 FCADRP COc1cccc(CN2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c1 ZINC001083601907 1195664647 /nfs/dbraw/zinc/66/46/47/1195664647.db2.gz SZSJEGGMOXVYFT-MSOLQXFVSA-N 2 0 359.470 0.985 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910843829 1195849223 /nfs/dbraw/zinc/84/92/23/1195849223.db2.gz QKGHKXFYFKZMSM-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000910876493 1195855338 /nfs/dbraw/zinc/85/53/38/1195855338.db2.gz WNTXSBMKBREKKU-UHFFFAOYSA-N 2 0 365.522 1.000 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000910964317 1195869739 /nfs/dbraw/zinc/86/97/39/1195869739.db2.gz ZAVMVOHFBOJWJT-DJIMGWMZSA-N 2 0 374.485 0.754 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000910991508 1195874410 /nfs/dbraw/zinc/87/44/10/1195874410.db2.gz GXZGVZNRQVRCAE-CGTJXYLNSA-N 2 0 374.485 0.200 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000911078827 1195886858 /nfs/dbraw/zinc/88/68/58/1195886858.db2.gz TUCVNVRTAALECK-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000911092759 1195887906 /nfs/dbraw/zinc/88/79/06/1195887906.db2.gz VCMHPHKJYPZXFQ-RTBURBONSA-N 2 0 372.513 0.865 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911103988 1195890411 /nfs/dbraw/zinc/89/04/11/1195890411.db2.gz VUUAGNMSBWGLFW-HZPDHXFCSA-N 2 0 373.501 0.921 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911103989 1195890644 /nfs/dbraw/zinc/89/06/44/1195890644.db2.gz VUUAGNMSBWGLFW-JKSUJKDBSA-N 2 0 373.501 0.921 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911186612 1195904309 /nfs/dbraw/zinc/90/43/09/1195904309.db2.gz NXWBIHJWIUIYOZ-QGZVFWFLSA-N 2 0 367.538 0.169 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000911238510 1195920532 /nfs/dbraw/zinc/92/05/32/1195920532.db2.gz QBPXJSYAVBTACM-KBAYOESNSA-N 2 0 356.470 0.860 20 0 FCADRP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1 ZINC001083644668 1195933272 /nfs/dbraw/zinc/93/32/72/1195933272.db2.gz QJCAGTVBWIRKQO-BBWFWOEESA-N 2 0 358.442 0.924 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)cc1 ZINC000911358566 1195941225 /nfs/dbraw/zinc/94/12/25/1195941225.db2.gz OXBBQQWVTKTSAH-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000912401976 1196346694 /nfs/dbraw/zinc/34/66/94/1196346694.db2.gz JBWSXFKIJPVMLU-UHFFFAOYSA-N 2 0 359.518 0.903 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654260 1196347598 /nfs/dbraw/zinc/34/75/98/1196347598.db2.gz FFYFCWKXOSFZLV-PBIMCDDKSA-N 2 0 361.486 0.511 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654261 1196347763 /nfs/dbraw/zinc/34/77/63/1196347763.db2.gz FFYFCWKXOSFZLV-QGRXYFRJSA-N 2 0 361.486 0.511 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654853 1196351185 /nfs/dbraw/zinc/35/11/85/1196351185.db2.gz JMCCFIMTVRTZBB-PBIMCDDKSA-N 2 0 363.502 0.591 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001077444403 1196411637 /nfs/dbraw/zinc/41/16/37/1196411637.db2.gz WMUOVTUTEDXEGZ-BHIYHBOVSA-N 2 0 363.502 0.991 20 0 FCADRP O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](CC3CC3)CC2)O1)N1CCOCC1 ZINC001168378457 1196471220 /nfs/dbraw/zinc/47/12/20/1196471220.db2.gz VNURRXPNMUAKRG-GUDVDZBRSA-N 2 0 363.502 0.951 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592560406 1196569436 /nfs/dbraw/zinc/56/94/36/1196569436.db2.gz NHENSYYKDJHGBW-DLBZAZTESA-N 2 0 374.533 0.961 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000592964544 1196597029 /nfs/dbraw/zinc/59/70/29/1196597029.db2.gz RHFIGBPGPAWEJA-SJORKVTESA-N 2 0 360.458 0.657 20 0 FCADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ncn1 ZINC000594702749 1196734762 /nfs/dbraw/zinc/73/47/62/1196734762.db2.gz WQFAJYMUCIFDLD-BSXFFOKHSA-N 2 0 374.489 0.840 20 0 FCADRP Cc1nccn1CC(=O)N[C@H]1CCN(CC(=O)NC2CCOCC2)[C@@H]1C ZINC001089041403 1196872959 /nfs/dbraw/zinc/87/29/59/1196872959.db2.gz UKEFASDIYVLWFF-CJNGLKHVSA-N 2 0 363.462 0.066 20 0 FCADRP CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219170496 1224373275 /nfs/dbraw/zinc/37/32/75/1224373275.db2.gz SQTYNISZMGHEAI-OAHLLOKOSA-N 2 0 369.425 0.797 20 0 FCADRP COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219177928 1224374963 /nfs/dbraw/zinc/37/49/63/1224374963.db2.gz CENLSOBXVBGBBW-HNNXBMFYSA-N 2 0 363.462 0.368 20 0 FCADRP [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)cc2)C1 ZINC001219232372 1224395200 /nfs/dbraw/zinc/39/52/00/1224395200.db2.gz BAQGVVLDFMRELR-RHSMWYFYSA-N 2 0 371.485 0.668 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)CCC1 ZINC000992688430 1197300466 /nfs/dbraw/zinc/30/04/66/1197300466.db2.gz LXRVMLFRFWZDGP-TXPKVOOTSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689459 1197305672 /nfs/dbraw/zinc/30/56/72/1197305672.db2.gz QUXTTXRHEIWOMN-MDYRTPRTSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001106145745 1197307656 /nfs/dbraw/zinc/30/76/56/1197307656.db2.gz FQDJLWUGZJIBEY-RBSFLKMASA-N 2 0 364.494 0.006 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219293771 1224418301 /nfs/dbraw/zinc/41/83/01/1224418301.db2.gz PFPKXTSLPLRWJG-BBRMVZONSA-N 2 0 364.421 0.843 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@H]2CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC000992935897 1197616250 /nfs/dbraw/zinc/61/62/50/1197616250.db2.gz UHHPVKGDBKLQQN-BEFAXECRSA-N 2 0 370.457 0.475 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001085231955 1197721192 /nfs/dbraw/zinc/72/11/92/1197721192.db2.gz CMYOFLGXXWEZQT-KBUPBQIOSA-N 2 0 360.462 0.555 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276220 1197744142 /nfs/dbraw/zinc/74/41/42/1197744142.db2.gz WWAKLSDKFOFKQY-AEFFLSMTSA-N 2 0 367.538 0.565 20 0 FCADRP COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000734277096 1197744197 /nfs/dbraw/zinc/74/41/97/1197744197.db2.gz XSEZHLOQMZZRJJ-GJZGRUSLSA-N 2 0 367.494 0.685 20 0 FCADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106245889 1197780445 /nfs/dbraw/zinc/78/04/45/1197780445.db2.gz FPGSKUMTDVLZRU-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106249584 1197782347 /nfs/dbraw/zinc/78/23/47/1197782347.db2.gz LIJZQPGPNQCCLZ-DDUZABMNSA-N 2 0 364.490 0.160 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273317012 1197798213 /nfs/dbraw/zinc/79/82/13/1197798213.db2.gz ULVKLFYSOVLEJP-JKSUJKDBSA-N 2 0 364.490 0.051 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281765 1197825226 /nfs/dbraw/zinc/82/52/26/1197825226.db2.gz BLCKKSHNJHOEPM-NXHRZFHOSA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)NC1CC1 ZINC001106372785 1197883788 /nfs/dbraw/zinc/88/37/88/1197883788.db2.gz LIQGYMNLTKLSJU-BZUAXINKSA-N 2 0 362.518 0.966 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1)[NH+](C)C ZINC000993157977 1197902405 /nfs/dbraw/zinc/90/24/05/1197902405.db2.gz VHFHVYPSSPCUTR-GJYPPUQNSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106431940 1197921540 /nfs/dbraw/zinc/92/15/40/1197921540.db2.gz MZKVMLJEJKOBLU-GDBMZVCRSA-N 2 0 353.430 0.924 20 0 FCADRP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453505 1197933010 /nfs/dbraw/zinc/93/30/10/1197933010.db2.gz LWVICUKNWUPFEH-MJQPBPLVSA-N 2 0 365.518 0.959 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCN(Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976113 /nfs/dbraw/zinc/97/61/13/1197976113.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 0 361.490 0.650 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106515751 1197990435 /nfs/dbraw/zinc/99/04/35/1197990435.db2.gz BASWVUCDUAGJRZ-MGPQQGTHSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001106599588 1198029879 /nfs/dbraw/zinc/02/98/79/1198029879.db2.gz NIUVYVJFSJVJKU-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106601726 1198031982 /nfs/dbraw/zinc/03/19/82/1198031982.db2.gz ANEGKSXPTAXMDZ-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001106621415 1198038021 /nfs/dbraw/zinc/03/80/21/1198038021.db2.gz JQFHWRMZFQUCMU-RVKKMQEKSA-N 2 0 364.534 0.927 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000741077543 1198062538 /nfs/dbraw/zinc/06/25/38/1198062538.db2.gz MWYHIOJUJPEWGP-UHFFFAOYSA-N 2 0 360.466 0.297 20 0 FCADRP COC(=O)c1nc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccc2o1 ZINC001219439361 1224467714 /nfs/dbraw/zinc/46/77/14/1224467714.db2.gz IHUZGNVQJJYFKI-LBPRGKRZSA-N 2 0 361.402 0.303 20 0 FCADRP CN1CCO[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181199369 1198284703 /nfs/dbraw/zinc/28/47/03/1198284703.db2.gz KEROICILMDTLHL-SFHVURJKSA-N 2 0 368.522 0.851 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001219489840 1224486195 /nfs/dbraw/zinc/48/61/95/1224486195.db2.gz WWNOOVYABWLERZ-WMZOPIPTSA-N 2 0 362.474 0.887 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CC3(CC3)C[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501137 1224488942 /nfs/dbraw/zinc/48/89/42/1224488942.db2.gz PSKANBOJOWOBEW-IFXJQAMLSA-N 2 0 356.426 0.959 20 0 FCADRP CC[NH+](CC)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001219555643 1224508448 /nfs/dbraw/zinc/50/84/48/1224508448.db2.gz KJSCAUZDAPHTLM-KRWDZBQOSA-N 2 0 359.474 0.612 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1cc(-n2nnnc2C[NH3+])nc2ccccc21 ZINC001168919219 1199039288 /nfs/dbraw/zinc/03/92/88/1199039288.db2.gz WPCHOXVRWKZFND-UHFFFAOYSA-N 2 0 368.445 0.741 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134635 1199047668 /nfs/dbraw/zinc/04/76/68/1199047668.db2.gz WASGXXKIXLCEII-ZOVJDJALSA-N 2 0 363.502 0.807 20 0 FCADRP CCOC(=O)C1(Nc2ccnc(N3CCC([NH3+])CC3)n2)CC[NH+](C)CC1 ZINC001169491731 1199071055 /nfs/dbraw/zinc/07/10/55/1199071055.db2.gz IHUWWDQOBHPUCA-UHFFFAOYSA-N 2 0 362.478 0.844 20 0 FCADRP CC(=O)N1CC[C@@H](N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)C1 ZINC001169548764 1199071743 /nfs/dbraw/zinc/07/17/43/1199071743.db2.gz HQEIZCOWHPIXRD-QGZVFWFLSA-N 2 0 361.490 0.910 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766958590 1199105751 /nfs/dbraw/zinc/10/57/51/1199105751.db2.gz CTKCOOSEIKLNMW-MSOLQXFVSA-N 2 0 363.506 0.909 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129370108 1199128473 /nfs/dbraw/zinc/12/84/73/1199128473.db2.gz NMMJAVYAFYIZJG-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219616726 1224530386 /nfs/dbraw/zinc/53/03/86/1224530386.db2.gz CCCLAWLQWWICHK-FRQCXROJSA-N 2 0 363.433 0.248 20 0 FCADRP CC(C)C[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652334 1224546201 /nfs/dbraw/zinc/54/62/01/1224546201.db2.gz SMZPKQAHSNFCRV-JQHSSLGASA-N 2 0 365.522 0.902 20 0 FCADRP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219669462 1224551173 /nfs/dbraw/zinc/55/11/73/1224551173.db2.gz YVFQKXHDAYJTOE-LJQANCHMSA-N 2 0 372.513 0.388 20 0 FCADRP [NH3+][C@H]1CCN([C@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3o2)C1 ZINC001219697719 1224563856 /nfs/dbraw/zinc/56/38/56/1224563856.db2.gz XCIRJWPVMOCLAN-YOEHRIQHSA-N 2 0 358.442 0.348 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H](c1cc2ccccc2[nH]1)N1CCC[C@H]([NH3+])C1 ZINC001219720638 1224573200 /nfs/dbraw/zinc/57/32/00/1224573200.db2.gz OCLUOGPFWWSBDJ-ZZCKCESHSA-N 2 0 357.458 0.474 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722695 1224577327 /nfs/dbraw/zinc/57/73/27/1224577327.db2.gz DPQKRPHJJFRZNA-ROUUACIJSA-N 3 0 360.502 0.314 20 0 FCADRP NC1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH+](Cc2ccccc2)CC1 ZINC001219736360 1224585086 /nfs/dbraw/zinc/58/50/86/1224585086.db2.gz BSXKWOKAWAATIK-KRWDZBQOSA-N 2 0 358.486 0.475 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737301 1224585843 /nfs/dbraw/zinc/58/58/43/1224585843.db2.gz SKEVJQOVQVHXGN-MSOLQXFVSA-N 2 0 369.469 0.296 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737601 1224586063 /nfs/dbraw/zinc/58/60/63/1224586063.db2.gz ZVYFRXVYPLXWML-JYJNAYRXSA-N 2 0 368.522 0.385 20 0 FCADRP COc1ccc(C2(C(=O)NC[C@H]3CC4(C[NH2+]C4)CO3)CC[NH2+]CC2)cc1 ZINC001219739111 1224586576 /nfs/dbraw/zinc/58/65/76/1224586576.db2.gz HLXOEMCCUWVSRI-QGZVFWFLSA-N 2 0 359.470 0.811 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749425 1224594787 /nfs/dbraw/zinc/59/47/87/1224594787.db2.gz MWJLELKGJMAVOD-LBPRGKRZSA-N 2 0 366.466 0.227 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410762 1200252014 /nfs/dbraw/zinc/25/20/14/1200252014.db2.gz UAUFORJAWYOKIT-SQNIBIBYSA-N 2 0 366.506 0.345 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406303 1200252284 /nfs/dbraw/zinc/25/22/84/1200252284.db2.gz VZVCGQNLBDULLI-OWSLCNJRSA-N 2 0 366.506 0.201 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001109464029 1200301737 /nfs/dbraw/zinc/30/17/37/1200301737.db2.gz IFTOVXCZVIBNKZ-NCOADZHNSA-N 2 0 371.522 0.462 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768700 1224604076 /nfs/dbraw/zinc/60/40/76/1224604076.db2.gz PFYRJBSAKCNDGV-KSSFIOAISA-N 2 0 365.453 0.517 20 0 FCADRP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001109735663 1200493957 /nfs/dbraw/zinc/49/39/57/1200493957.db2.gz RCIHAPCPZIGHBX-MHORFTMASA-N 2 0 369.506 0.218 20 0 FCADRP COc1ccc([C@@H]([NH3+])CC(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)cn1 ZINC001219794197 1224615660 /nfs/dbraw/zinc/61/56/60/1224615660.db2.gz UCLTVPSJWHDUAP-KRWDZBQOSA-N 3 0 361.490 0.813 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799720 1224619507 /nfs/dbraw/zinc/61/95/07/1224619507.db2.gz BCDGOSHUTRAFBP-WBVHZDCISA-N 2 0 354.454 0.989 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801175 1224621795 /nfs/dbraw/zinc/62/17/95/1224621795.db2.gz UZMJEYKHFLIVLR-CVEARBPZSA-N 2 0 361.442 0.332 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1 ZINC001109977324 1200660537 /nfs/dbraw/zinc/66/05/37/1200660537.db2.gz DHNWTSMOVGOPPC-SQNIBIBYSA-N 2 0 374.485 0.585 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109980157 1200664357 /nfs/dbraw/zinc/66/43/57/1200664357.db2.gz KGUBBVZSMTUVGN-UGUYLWEFSA-N 2 0 362.478 0.065 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129393087 1200677662 /nfs/dbraw/zinc/67/76/62/1200677662.db2.gz AMTCAUTUQSFSHX-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219811662 1224628803 /nfs/dbraw/zinc/62/88/03/1224628803.db2.gz YJEOWIJOZBRMTA-VBKZILBWSA-N 2 0 367.453 0.663 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813072 1224629175 /nfs/dbraw/zinc/62/91/75/1224629175.db2.gz NFVUZDZOKGHSDU-FPXQBCRKSA-N 2 0 368.522 0.243 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219812566 1224630612 /nfs/dbraw/zinc/63/06/12/1224630612.db2.gz FIRPGTCJTSSHLF-FNHZYXHNSA-N 2 0 357.454 0.421 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC001112564461 1200797477 /nfs/dbraw/zinc/79/74/77/1200797477.db2.gz USRWXPSVDFYSNB-LPHOPBHVSA-N 2 0 358.490 0.592 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)C1=O ZINC001112564013 1200800590 /nfs/dbraw/zinc/80/05/90/1200800590.db2.gz ZDMXGCHQRSFBGN-BXWFABGCSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001112579173 1200818269 /nfs/dbraw/zinc/81/82/69/1200818269.db2.gz ZLAPZHAOSZSNIT-ZWOKBUDYSA-N 2 0 362.518 0.683 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112586270 1200822767 /nfs/dbraw/zinc/82/27/67/1200822767.db2.gz QMRKZMQIFCTJDQ-GLJUWKHASA-N 2 0 367.494 0.128 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000787125246 1200869188 /nfs/dbraw/zinc/86/91/88/1200869188.db2.gz PGVNZDWOWMSIER-KRWDZBQOSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219831654 1224643915 /nfs/dbraw/zinc/64/39/15/1224643915.db2.gz SFPRHYMVVXVJHU-RLPRXVRJSA-N 2 0 356.470 0.206 20 0 FCADRP Cc1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834108 1224645218 /nfs/dbraw/zinc/64/52/18/1224645218.db2.gz OIXRJXPQJLYVAC-IMFGXOCKSA-N 2 0 361.486 0.685 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001219837294 1224647146 /nfs/dbraw/zinc/64/71/46/1224647146.db2.gz IYFQLRAUGYPPHV-XLIONFOSSA-N 2 0 373.497 0.819 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219847469 1224651085 /nfs/dbraw/zinc/65/10/85/1224651085.db2.gz IIJHMTUUQDHLAR-CADBVGFASA-N 2 0 370.497 0.344 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847591 1224652896 /nfs/dbraw/zinc/65/28/96/1224652896.db2.gz LKJCAIQGXYVDFO-MUQADHOPSA-N 2 0 356.426 0.185 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219848106 1224652945 /nfs/dbraw/zinc/65/29/45/1224652945.db2.gz WQGIRZMZZRKWNB-AACLIANESA-N 2 0 356.470 0.348 20 0 FCADRP C/C=C(\NC=[NH2+])N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389950 1201208735 /nfs/dbraw/zinc/20/87/35/1201208735.db2.gz SLKYPJSSSMPPJS-CHEXEMPCSA-N 3 0 371.526 0.813 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000793737393 1201262646 /nfs/dbraw/zinc/26/26/46/1201262646.db2.gz IHJMNFZBGWBLCT-HZPDHXFCSA-N 2 0 366.506 0.345 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453795 1201311555 /nfs/dbraw/zinc/31/15/55/1201311555.db2.gz JQERAYHDVOFXBL-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624189 1201360158 /nfs/dbraw/zinc/36/01/58/1201360158.db2.gz RPRDCFSMLIMFKI-CEXWTWQISA-N 2 0 368.485 0.814 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858222 1201406383 /nfs/dbraw/zinc/40/63/83/1201406383.db2.gz RRHCGJCMNWLNPG-VQHPVUNQSA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910409 1201423347 /nfs/dbraw/zinc/42/33/47/1201423347.db2.gz RSINWYICNSZNAG-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@@H]1n1ccnn1 ZINC001129916701 1201427026 /nfs/dbraw/zinc/42/70/26/1201427026.db2.gz BDIXMLVNZJEGCE-CVEARBPZSA-N 2 0 361.450 0.783 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129896416 1201431290 /nfs/dbraw/zinc/43/12/90/1201431290.db2.gz ZDQVMNYEDRNCBL-ZACQAIPSSA-N 2 0 366.485 0.957 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129918557 1201441023 /nfs/dbraw/zinc/44/10/23/1201441023.db2.gz DJZJSBSCCSRQMS-SJORKVTESA-N 2 0 371.489 0.945 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902411 1224674997 /nfs/dbraw/zinc/67/49/97/1224674997.db2.gz AZWLTMQMPNZFOJ-KSZLIROESA-N 2 0 363.502 0.482 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994599 1201465242 /nfs/dbraw/zinc/46/52/42/1201465242.db2.gz XARLKVOCMRTMNI-IXDOHACOSA-N 2 0 366.510 0.632 20 0 FCADRP O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219901525 1224675284 /nfs/dbraw/zinc/67/52/84/1224675284.db2.gz LEKHQCKISARLTC-NJSLBKSFSA-N 2 0 358.442 0.485 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992263 1201471476 /nfs/dbraw/zinc/47/14/76/1201471476.db2.gz VLKDPVMTLBZKLY-OIISXLGYSA-N 2 0 364.494 0.122 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130005903 1201475530 /nfs/dbraw/zinc/47/55/30/1201475530.db2.gz KXYZYTBIWWRHQQ-IKGGRYGDSA-N 2 0 366.510 0.777 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130030742 1201481001 /nfs/dbraw/zinc/48/10/01/1201481001.db2.gz PEWWVLOPZPPWNM-UAGQMJEPSA-N 2 0 364.494 0.386 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001130034516 1201482068 /nfs/dbraw/zinc/48/20/68/1201482068.db2.gz RGZHATSLVSUEBU-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130047688 1201486387 /nfs/dbraw/zinc/48/63/87/1201486387.db2.gz NZHRIIGCQIMLLG-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130047904 1201487217 /nfs/dbraw/zinc/48/72/17/1201487217.db2.gz YUKLUIXICDBOAJ-SJORKVTESA-N 2 0 357.462 0.557 20 0 FCADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086052 1201494175 /nfs/dbraw/zinc/49/41/75/1201494175.db2.gz IZMULTXBKLXBBH-WBXGCANISA-N 2 0 364.494 0.554 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085978 1201494265 /nfs/dbraw/zinc/49/42/65/1201494265.db2.gz GMNJLYOOVVNHBY-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130096623 1201499047 /nfs/dbraw/zinc/49/90/47/1201499047.db2.gz NEKUTBVXUNXODA-MSOLQXFVSA-N 2 0 371.489 0.947 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130096871 1201499200 /nfs/dbraw/zinc/49/92/00/1201499200.db2.gz WEQKWRVTTAZSQN-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC001130104938 1201501535 /nfs/dbraw/zinc/50/15/35/1201501535.db2.gz CKVJCHKDDJSTFJ-RYRKJORJSA-N 2 0 362.478 0.142 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130107142 1201502301 /nfs/dbraw/zinc/50/23/01/1201502301.db2.gz FWMAHGSKOZOULH-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130136970 1201514598 /nfs/dbraw/zinc/51/45/98/1201514598.db2.gz BUCFDXPCYMRXIU-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130136955 1201514669 /nfs/dbraw/zinc/51/46/69/1201514669.db2.gz AYPPCEBZEBWEBD-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137339 1201515327 /nfs/dbraw/zinc/51/53/27/1201515327.db2.gz UOBQXWYIPJEVMB-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139800 1201515374 /nfs/dbraw/zinc/51/53/74/1201515374.db2.gz IFVDCIMXIFOYIV-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)COCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919627 1224680440 /nfs/dbraw/zinc/68/04/40/1224680440.db2.gz GQXHWLFJZWYAMO-MSOLQXFVSA-N 2 0 364.490 0.742 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001130221180 1201550388 /nfs/dbraw/zinc/55/03/88/1201550388.db2.gz YKLCGXVDDNLYLJ-DZKIICNBSA-N 2 0 364.494 0.633 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)C1CC1 ZINC001130292833 1201578623 /nfs/dbraw/zinc/57/86/23/1201578623.db2.gz DKIMPKZRAXXVBC-BPQIPLTHSA-N 2 0 368.497 0.772 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130307262 1201581915 /nfs/dbraw/zinc/58/19/15/1201581915.db2.gz MNTJJXDYPRFSOF-APWZRJJASA-N 2 0 368.522 0.186 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130307677 1201582446 /nfs/dbraw/zinc/58/24/46/1201582446.db2.gz YIVFIICHYYFFIE-OGWOLHLISA-N 2 0 368.522 0.184 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930653 1224686508 /nfs/dbraw/zinc/68/65/08/1224686508.db2.gz FDGNKIFOKWWEQH-BBRMVZONSA-N 2 0 359.474 0.503 20 0 FCADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219929988 1224686679 /nfs/dbraw/zinc/68/66/79/1224686679.db2.gz WPAHNQOJANIFTE-MRXNPFEDSA-N 2 0 371.485 0.281 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)c2)CC1 ZINC001219959263 1224701171 /nfs/dbraw/zinc/70/11/71/1224701171.db2.gz OSJDMCPLYCDYHF-LJQANCHMSA-N 3 0 371.529 0.929 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220043027 1224735836 /nfs/dbraw/zinc/73/58/36/1224735836.db2.gz BEEIIGPFZAIIBJ-OAHLLOKOSA-N 2 0 357.414 0.621 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596599 1202727788 /nfs/dbraw/zinc/72/77/88/1202727788.db2.gz LQOAQOSEBQLLGC-XYJFISCASA-N 2 0 361.490 0.292 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130602540 1202732053 /nfs/dbraw/zinc/73/20/53/1202732053.db2.gz HMYSDSDMGDSOQP-ZMSDIMECSA-N 2 0 369.485 0.366 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607856 1202733625 /nfs/dbraw/zinc/73/36/25/1202733625.db2.gz NTMOWTNQCJEEBM-HLLBOEOZSA-N 2 0 363.506 0.823 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130607963 1202734078 /nfs/dbraw/zinc/73/40/78/1202734078.db2.gz USRKIERLPYIPME-JQHSSLGASA-N 2 0 363.506 0.681 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000806501820 1202743167 /nfs/dbraw/zinc/74/31/67/1202743167.db2.gz GHKPAOKPPAPGOY-RDJZCZTQSA-N 2 0 359.474 0.719 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659441 1202749686 /nfs/dbraw/zinc/74/96/86/1202749686.db2.gz MVYXPMALRYTHHF-UWWQBHOKSA-N 2 0 363.506 0.681 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CCOC2CCC2)c1 ZINC001130670236 1202751621 /nfs/dbraw/zinc/75/16/21/1202751621.db2.gz SGAASRADNKATAJ-FUHWJXTLSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001130670302 1202751818 /nfs/dbraw/zinc/75/18/18/1202751818.db2.gz WMOCPRQYXAECCZ-DOTOQJQBSA-N 2 0 359.478 0.190 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1)[NH+](C)C ZINC001130790427 1202799261 /nfs/dbraw/zinc/79/92/61/1202799261.db2.gz ZKIRZJGUSLTPPB-BFHYXJOUSA-N 2 0 370.473 0.930 20 0 FCADRP O=C(NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)C12CC[NH+](CC1)C2 ZINC001130817298 1202807659 /nfs/dbraw/zinc/80/76/59/1202807659.db2.gz KPYRHLUEXARUFM-QWHCGFSZSA-N 2 0 366.441 0.296 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130819874 1202809152 /nfs/dbraw/zinc/80/91/52/1202809152.db2.gz ITADTWZOGHBTDK-LSDHHAIUSA-N 2 0 364.494 0.981 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130943858 1202826971 /nfs/dbraw/zinc/82/69/71/1202826971.db2.gz MLDRILNPGDOVQL-ZACQAIPSSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131042908 1202851849 /nfs/dbraw/zinc/85/18/49/1202851849.db2.gz YLWIWRGJIXZDLA-HZPDHXFCSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)cn1 ZINC001131061578 1202853963 /nfs/dbraw/zinc/85/39/63/1202853963.db2.gz GQBUVWPFKCYWJX-HZPDHXFCSA-N 2 0 359.478 0.190 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055558 1202855102 /nfs/dbraw/zinc/85/51/02/1202855102.db2.gz BGXYJCMDGQTXEA-ARFHVFGLSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070401 1202856265 /nfs/dbraw/zinc/85/62/65/1202856265.db2.gz UBYYNDMCMTZJHO-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108014 1202864131 /nfs/dbraw/zinc/86/41/31/1202864131.db2.gz GDZXWIDNFDGXKF-ARFHVFGLSA-N 2 0 369.485 0.630 20 0 FCADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108604 1202864513 /nfs/dbraw/zinc/86/45/13/1202864513.db2.gz XWTQVZLBHHIDHJ-IAGOWNOFSA-N 2 0 363.506 0.849 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120922 1202865918 /nfs/dbraw/zinc/86/59/18/1202865918.db2.gz DBHKCVYABSPQAJ-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCO ZINC001131126157 1202866701 /nfs/dbraw/zinc/86/67/01/1202866701.db2.gz UGNDVZGFBODGNP-IAGOWNOFSA-N 2 0 363.506 0.563 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808220606 1202876697 /nfs/dbraw/zinc/87/66/97/1202876697.db2.gz KLXSOJZWYOSKGR-SFHVURJKSA-N 2 0 360.502 0.772 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131316860 1202886033 /nfs/dbraw/zinc/88/60/33/1202886033.db2.gz ZIGKLFMOEGAPRY-ZACQAIPSSA-N 2 0 364.490 0.844 20 0 FCADRP COCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131362013 1202890620 /nfs/dbraw/zinc/89/06/20/1202890620.db2.gz JVAGPCURKMEYFY-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001131517417 1202908092 /nfs/dbraw/zinc/90/80/92/1202908092.db2.gz PKNINXFGIDOUHI-NXHRZFHOSA-N 2 0 366.506 0.058 20 0 FCADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001131519329 1202908306 /nfs/dbraw/zinc/90/83/06/1202908306.db2.gz KYNOKAVQCZYGKO-NUJGCVRESA-N 2 0 368.522 0.401 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555726 1202913495 /nfs/dbraw/zinc/91/34/95/1202913495.db2.gz UINUTDIRAFELSF-LESCRADOSA-N 2 0 368.522 0.448 20 0 FCADRP Cn1ccnc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555797 1202914062 /nfs/dbraw/zinc/91/40/62/1202914062.db2.gz XNDBARATWIEFNE-APWZRJJASA-N 2 0 363.506 0.858 20 0 FCADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001131570632 1202915288 /nfs/dbraw/zinc/91/52/88/1202915288.db2.gz KYNOKAVQCZYGKO-RYRKJORJSA-N 2 0 368.522 0.401 20 0 FCADRP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131592982 1202917197 /nfs/dbraw/zinc/91/71/97/1202917197.db2.gz GANCFUZMUNGYGX-MJGOQNOKSA-N 2 0 371.522 0.587 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131583189 1202917969 /nfs/dbraw/zinc/91/79/69/1202917969.db2.gz UTHREZVQCIDZJQ-KYJSFNMBSA-N 2 0 368.522 0.448 20 0 FCADRP Cn1cncc1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131600033 1202919560 /nfs/dbraw/zinc/91/95/60/1202919560.db2.gz UPWBODJXSMLFPS-MJGOQNOKSA-N 2 0 364.490 0.721 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])CN1C(=O)OC(C)(C)C ZINC001170622327 1202956433 /nfs/dbraw/zinc/95/64/33/1202956433.db2.gz QNPIAIKKTZDXAU-CABCVRRESA-N 2 0 372.510 0.798 20 0 FCADRP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC001086696779 1202970876 /nfs/dbraw/zinc/97/08/76/1202970876.db2.gz BDHNEBHSRXDRNS-CGTJXYLNSA-N 2 0 362.518 0.825 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086716636 1203011272 /nfs/dbraw/zinc/01/12/72/1203011272.db2.gz KFDPTHUTYLHZFY-ARFHVFGLSA-N 2 0 363.510 0.563 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126459 1203015591 /nfs/dbraw/zinc/01/55/91/1203015591.db2.gz SFGDEASKEULUFW-MSOLQXFVSA-N 2 0 360.502 0.906 20 0 FCADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001170829046 1203070368 /nfs/dbraw/zinc/07/03/68/1203070368.db2.gz JNLFJVPPWNJPLO-LESCRADOSA-N 2 0 368.522 0.483 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086783803 1203091800 /nfs/dbraw/zinc/09/18/00/1203091800.db2.gz QHUPZPZJYGEVHM-HRCADAONSA-N 2 0 363.510 0.707 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001086784942 1203092159 /nfs/dbraw/zinc/09/21/59/1203092159.db2.gz BWDORZWNBRHFHI-CGTJXYLNSA-N 2 0 363.506 0.904 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086785296 1203092658 /nfs/dbraw/zinc/09/26/58/1203092658.db2.gz RXCAITAGJWJWBM-ZMSDIMECSA-N 2 0 364.494 0.299 20 0 FCADRP NC(=[NH2+])N(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])c1ccccc1F ZINC001220106699 1224765428 /nfs/dbraw/zinc/76/54/28/1224765428.db2.gz YLDKRWJQRPVOHO-AWEZNQCLSA-N 2 0 357.389 0.738 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000817953177 1203127962 /nfs/dbraw/zinc/12/79/62/1203127962.db2.gz OBMJPHZAZXFKMK-HXUWFJFHSA-N 2 0 358.486 0.919 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000817975276 1203129744 /nfs/dbraw/zinc/12/97/44/1203129744.db2.gz SMWRUVNWHPYPQA-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899878 1203137317 /nfs/dbraw/zinc/13/73/17/1203137317.db2.gz YPJVHMPYEQIYGT-ZFWWWQNUSA-N 3 0 367.494 0.623 20 0 FCADRP COc1ccc(OC)c([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819004970 1203147385 /nfs/dbraw/zinc/14/73/85/1203147385.db2.gz VXRLEEVVCCFWJW-WMLDXEAASA-N 2 0 365.474 0.914 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822951133 1203242452 /nfs/dbraw/zinc/24/24/52/1203242452.db2.gz KWGGPQOORKHBKI-HNNXBMFYSA-N 2 0 358.446 0.804 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@H]1C ZINC001090745171 1203280437 /nfs/dbraw/zinc/28/04/37/1203280437.db2.gz WDPQBMWHPSXUKW-RHSMWYFYSA-N 2 0 360.506 0.747 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001090875422 1203325616 /nfs/dbraw/zinc/32/56/16/1203325616.db2.gz SRIBJFWEVOFACR-GVDBMIGSSA-N 2 0 362.474 0.405 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090881036 1203329101 /nfs/dbraw/zinc/32/91/01/1203329101.db2.gz WEMOHYWXWUGOPC-AYOQOUSVSA-N 2 0 361.486 0.913 20 0 FCADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182340 1203338371 /nfs/dbraw/zinc/33/83/71/1203338371.db2.gz JLNQFBAMDXFMLT-KRWDZBQOSA-N 2 0 362.474 0.848 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220225543 1224808676 /nfs/dbraw/zinc/80/86/76/1224808676.db2.gz HGFPJIXYXLIALV-QFBILLFUSA-N 2 0 371.441 0.213 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@]2(N)CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228073 1224809449 /nfs/dbraw/zinc/80/94/49/1224809449.db2.gz ABFJVPVFGPVYDJ-RBUKOAKNSA-N 2 0 360.458 0.001 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)c1 ZINC001220229220 1224810114 /nfs/dbraw/zinc/81/01/14/1224810114.db2.gz SMZFRCAHLIAMKF-MSOLQXFVSA-N 2 0 360.502 0.756 20 0 FCADRP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228344 1224810177 /nfs/dbraw/zinc/81/01/77/1224810177.db2.gz JLZFECOOBCPJIV-YLJYHZDGSA-N 3 0 374.485 0.247 20 0 FCADRP CCOC(=O)CC[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220230934 1224811205 /nfs/dbraw/zinc/81/12/05/1224811205.db2.gz RSVILFRZZFVJRR-KGLIPLIRSA-N 2 0 369.462 0.252 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220236682 1224812322 /nfs/dbraw/zinc/81/23/22/1224812322.db2.gz DORFTWBKTRSYKI-OTWHNJEPSA-N 2 0 363.502 0.483 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220254511 1224815144 /nfs/dbraw/zinc/81/51/44/1224815144.db2.gz RWOKUPYNCKSUJD-YJBOKZPZSA-N 2 0 371.485 0.754 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220254195 1224815383 /nfs/dbraw/zinc/81/53/83/1224815383.db2.gz MLZBGNFVEKTYFL-KRWDZBQOSA-N 2 0 373.501 0.858 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261020 1224815676 /nfs/dbraw/zinc/81/56/76/1224815676.db2.gz OMQAUJDKLZOGBU-IBGZPJMESA-N 3 0 365.566 0.898 20 0 FCADRP COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220296582 1224822794 /nfs/dbraw/zinc/82/27/94/1224822794.db2.gz SIUYEKQAOGEPLJ-DNVCBOLYSA-N 2 0 370.453 0.567 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220315504 1224827003 /nfs/dbraw/zinc/82/70/03/1224827003.db2.gz DNVFYTDVROLAPS-KVSKMBFKSA-N 2 0 362.474 0.643 20 0 FCADRP CC(C)c1nnc(CNC2CC(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)o1 ZINC001091096046 1204513515 /nfs/dbraw/zinc/51/35/15/1204513515.db2.gz KMBHWNPXYAIEOP-XSCHDIRWSA-N 2 0 365.478 0.897 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000845992147 1204573496 /nfs/dbraw/zinc/57/34/96/1204573496.db2.gz YHPDKQNCAYFDLZ-OAHLLOKOSA-N 2 0 372.510 0.670 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000846143272 1204596227 /nfs/dbraw/zinc/59/62/27/1204596227.db2.gz DDDAPIPZGSNEAQ-DZVNLGKHSA-N 2 0 366.506 0.778 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC001220352422 1224840045 /nfs/dbraw/zinc/84/00/45/1224840045.db2.gz BAIIAOLXRQABEQ-ZACQAIPSSA-N 2 0 361.442 0.550 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@H]1O ZINC001220357330 1224841695 /nfs/dbraw/zinc/84/16/95/1224841695.db2.gz KJHBANJKHOPUMZ-NCOADZHNSA-N 2 0 361.442 0.285 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358283 1224842118 /nfs/dbraw/zinc/84/21/18/1224842118.db2.gz QMJTUYFBIOFSLZ-DLBZAZTESA-N 3 0 362.474 0.500 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC001146282851 1204713982 /nfs/dbraw/zinc/71/39/82/1204713982.db2.gz PFGLQEAWGWHXHM-GFCCVEGCSA-N 2 0 373.498 0.714 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376972 1224848446 /nfs/dbraw/zinc/84/84/46/1224848446.db2.gz GABZPKVJKZINEQ-KRWDZBQOSA-N 2 0 367.453 0.506 20 0 FCADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387772 1224854053 /nfs/dbraw/zinc/85/40/53/1224854053.db2.gz QFAGQWCSQCZKBD-HCXYKTFWSA-N 2 0 361.486 0.530 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716881 1204831763 /nfs/dbraw/zinc/83/17/63/1204831763.db2.gz XKJKZPYNWFZWJY-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP Cn1cc(CN2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754275 1204843999 /nfs/dbraw/zinc/84/39/99/1204843999.db2.gz MKPWERYVRYSAQE-AYBZRNKSSA-N 2 0 360.506 0.970 20 0 FCADRP Cn1ncc(CN2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091754192 1204844024 /nfs/dbraw/zinc/84/40/24/1204844024.db2.gz IFYWXCCZXXLXMS-SUMDDJOVSA-N 2 0 360.506 0.970 20 0 FCADRP Cn1cc(CN2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754276 1204844122 /nfs/dbraw/zinc/84/41/22/1204844122.db2.gz MKPWERYVRYSAQE-SUMDDJOVSA-N 2 0 360.506 0.970 20 0 FCADRP Cn1ncnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754174 1204844273 /nfs/dbraw/zinc/84/42/73/1204844273.db2.gz HKWZMSMEMRIPRL-MDZRGWNJSA-N 2 0 360.506 0.970 20 0 FCADRP COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086854395 1204852947 /nfs/dbraw/zinc/85/29/47/1204852947.db2.gz WZMPYFOLBBVJQI-LSDHHAIUSA-N 2 0 359.474 0.956 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086854784 1204852958 /nfs/dbraw/zinc/85/29/58/1204852958.db2.gz PJOAYUIOFTXBJZ-LSDHHAIUSA-N 2 0 361.494 0.553 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087009692 1204897491 /nfs/dbraw/zinc/89/74/91/1204897491.db2.gz SSTFTDLRHYHANW-RBUKOAKNSA-N 2 0 368.485 0.995 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087009776 1204897553 /nfs/dbraw/zinc/89/75/53/1204897553.db2.gz YBGOEVZNTAKRPH-ZYSHUDEJSA-N 2 0 368.485 0.851 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087034941 1204909925 /nfs/dbraw/zinc/90/99/25/1204909925.db2.gz FADRDNAEAZSWCC-IXDOHACOSA-N 2 0 363.506 0.950 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087035409 1204911318 /nfs/dbraw/zinc/91/13/18/1204911318.db2.gz ZYYFDIZUBPFRME-KBAYOESNSA-N 2 0 363.506 0.776 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087055663 1204935446 /nfs/dbraw/zinc/93/54/46/1204935446.db2.gz ZRUSZMCGLCMOEN-QBPKDAKJSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087059353 1204942915 /nfs/dbraw/zinc/94/29/15/1204942915.db2.gz AMESDAXVVNGQNW-NXHRZFHOSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087063273 1204950194 /nfs/dbraw/zinc/95/01/94/1204950194.db2.gz PZRATVZNWYWSJA-BRWVUGGUSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087065037 1204954129 /nfs/dbraw/zinc/95/41/29/1204954129.db2.gz HFTICYSPJFACBC-HYVNUMGLSA-N 2 0 371.441 0.290 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1 ZINC001087058368 1204965159 /nfs/dbraw/zinc/96/51/59/1204965159.db2.gz GHESZPRCVCIESB-HYVNUMGLSA-N 2 0 365.478 0.897 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087079833 1204992053 /nfs/dbraw/zinc/99/20/53/1204992053.db2.gz IOXAQQAVFCNPTB-BRWVUGGUSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087100744 1204996739 /nfs/dbraw/zinc/99/67/39/1204996739.db2.gz BLULYUMCQWACIG-LZLYRXPVSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001087101734 1204999869 /nfs/dbraw/zinc/99/98/69/1204999869.db2.gz YZGHMHQEFLFXSH-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087096785 1205004517 /nfs/dbraw/zinc/00/45/17/1205004517.db2.gz DJGGXROFJDLVIS-QZTJIDSGSA-N 2 0 365.518 0.962 20 0 FCADRP Cn1c(=O)cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])n(-c2ccccc2)c1=O ZINC001220415229 1224864226 /nfs/dbraw/zinc/86/42/26/1224864226.db2.gz BOOGTNZSTBUURR-ZDUSSCGKSA-N 2 0 359.430 0.321 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818407 1205041854 /nfs/dbraw/zinc/04/18/54/1205041854.db2.gz FSORONMGPKSUPJ-MDZRGWNJSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091824464 1205045205 /nfs/dbraw/zinc/04/52/05/1205045205.db2.gz ZGOZGYLZQRKAKA-ALKREAHSSA-N 2 0 353.426 0.617 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC001092034664 1205108867 /nfs/dbraw/zinc/10/88/67/1205108867.db2.gz IIAWHUAAOGWLAJ-WIRSXHRWSA-N 2 0 370.497 0.597 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188011 1205186988 /nfs/dbraw/zinc/18/69/88/1205186988.db2.gz KNKHIWPPFFMZEL-NQYLQCIDSA-N 2 0 362.518 0.763 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092204335 1205197067 /nfs/dbraw/zinc/19/70/67/1205197067.db2.gz ZTMXRKXIDAZBLU-VLIAUNLRSA-N 2 0 371.485 0.820 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203151 1205197125 /nfs/dbraw/zinc/19/71/25/1205197125.db2.gz FVUDSVUYGJLXIG-KHYOSLBOSA-N 2 0 360.502 0.530 20 0 FCADRP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001092301828 1205234967 /nfs/dbraw/zinc/23/49/67/1205234967.db2.gz OMUIOBCHVDEWKF-MJGOQNOKSA-N 2 0 360.506 0.934 20 0 FCADRP NC(=[NH2+])N(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)c1ccc(N2CCOCC2)cc1 ZINC001220460395 1224880146 /nfs/dbraw/zinc/88/01/46/1224880146.db2.gz KIZAGDATRPIXTR-RRQGHBQHSA-N 2 0 373.457 0.517 20 0 FCADRP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517065 1224899960 /nfs/dbraw/zinc/89/99/60/1224899960.db2.gz UGMHNLAWQCJCPG-NXHRZFHOSA-N 2 0 365.522 0.902 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3[NH2+]CC[C@H]3O)cc2)CC1 ZINC001220516187 1224900315 /nfs/dbraw/zinc/90/03/15/1224900315.db2.gz RMBHDWAGVDPSRQ-HVOIHPLZSA-N 2 0 360.458 0.432 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)CC[NH2+]C1 ZINC001220521872 1224905267 /nfs/dbraw/zinc/90/52/67/1224905267.db2.gz RHXGPMSQUZKBBK-CQSZACIVSA-N 2 0 373.457 0.061 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001092985227 1205972918 /nfs/dbraw/zinc/97/29/18/1205972918.db2.gz GBJRFWQABRTMMH-DDBAPUKQSA-N 2 0 358.486 0.501 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134251 1206032501 /nfs/dbraw/zinc/03/25/01/1206032501.db2.gz YOCRNSHNEOQMKW-BRWVUGGUSA-N 2 0 361.490 0.024 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093133116 1206032754 /nfs/dbraw/zinc/03/27/54/1206032754.db2.gz QKDDXGCOUXVPLV-RHSMWYFYSA-N 2 0 360.506 0.675 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093281099 1206071717 /nfs/dbraw/zinc/07/17/17/1206071717.db2.gz QIULFUSBGIIEHG-ZACQAIPSSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H]4CCOC4)nn3)C2)CC[N@@H+]1C ZINC001093322714 1206075273 /nfs/dbraw/zinc/07/52/73/1206075273.db2.gz QNZRHGMJTDERAP-JKIFEVAISA-N 2 0 362.478 0.128 20 0 FCADRP CC(C)[C@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460183 1206083483 /nfs/dbraw/zinc/08/34/83/1206083483.db2.gz QGNDHOYXEFETLC-WOCWXWTJSA-N 2 0 367.534 0.819 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465510 1206084827 /nfs/dbraw/zinc/08/48/27/1206084827.db2.gz KBRDIMVBKJQLEJ-CIWUYKSXSA-N 2 0 367.534 0.677 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001093674601 1206099542 /nfs/dbraw/zinc/09/95/42/1206099542.db2.gz KXSBKNGKSBKZCR-OAGGEKHMSA-N 2 0 363.510 0.752 20 0 FCADRP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001093774571 1206114396 /nfs/dbraw/zinc/11/43/96/1206114396.db2.gz KTGSLXBRWIIOPJ-DJIMGWMZSA-N 2 0 360.506 0.824 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001093822709 1206124012 /nfs/dbraw/zinc/12/40/12/1206124012.db2.gz WNLITAGFEPBRQB-HUUCEWRRSA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093920085 1206150259 /nfs/dbraw/zinc/15/02/59/1206150259.db2.gz SMCZVASECZKJTG-XPKDYRNWSA-N 2 0 369.425 0.437 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093941076 1206163709 /nfs/dbraw/zinc/16/37/09/1206163709.db2.gz FWVSQYINRVYWCE-FRFSOERESA-N 2 0 361.494 0.269 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001094040978 1206174466 /nfs/dbraw/zinc/17/44/66/1206174466.db2.gz RLYNIOQMGLDVPF-BZUAXINKSA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001094101460 1206191881 /nfs/dbraw/zinc/19/18/81/1206191881.db2.gz UEJLXSDEYPWKAR-HZPDHXFCSA-N 2 0 371.489 0.733 20 0 FCADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001094170009 1206198235 /nfs/dbraw/zinc/19/82/35/1206198235.db2.gz HWZDGLRTSIPATN-HUUCEWRRSA-N 2 0 359.474 0.765 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+]1CCCC1 ZINC001094242327 1206210130 /nfs/dbraw/zinc/21/01/30/1206210130.db2.gz JFJLWVYKRPLTHB-INMHGKMJSA-N 2 0 363.510 0.515 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC001094224674 1206211518 /nfs/dbraw/zinc/21/15/18/1206211518.db2.gz XGKIODSLLWPXCF-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577906 1206240592 /nfs/dbraw/zinc/24/05/92/1206240592.db2.gz OWPDUUVGUWCWQB-XAUMDUMWSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]CCN(CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)N(O)N=O ZINC001171876989 1206252315 /nfs/dbraw/zinc/25/23/15/1206252315.db2.gz GFTMMSTVEIMSJM-MRXNPFEDSA-N 2 0 364.450 0.819 20 0 FCADRP CN1[C@H]2COC[C@@H]1CC([N@@H+]1CCCn3c(=O)cc(C[NH+](C)C)nc3C1)C2 ZINC001172140083 1206257616 /nfs/dbraw/zinc/25/76/16/1206257616.db2.gz RUCYMSLRZQVQEN-ALOPSCKCSA-N 2 0 361.490 0.372 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173465095 1206274805 /nfs/dbraw/zinc/27/48/05/1206274805.db2.gz ZOJOBHFDSAPKIV-INIZCTEOSA-N 2 0 363.458 0.532 20 0 FCADRP c1cn(Cc2nnn3c2C[N@@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CCC3)cn1 ZINC001173752211 1206287186 /nfs/dbraw/zinc/28/71/86/1206287186.db2.gz KQCTZYQFZWVJHU-CABCVRRESA-N 2 0 368.449 0.899 20 0 FCADRP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088683 1206330006 /nfs/dbraw/zinc/33/00/06/1206330006.db2.gz PGTPAJVDQDOVPR-LBPRGKRZSA-N 2 0 367.454 0.306 20 0 FCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)n3cc(C[NH3+])cnc3=N)CC2)CC1 ZINC001179016974 1206369148 /nfs/dbraw/zinc/36/91/48/1206369148.db2.gz AFWZTHAWTMBMRR-UHFFFAOYSA-N 2 0 360.462 0.184 20 0 FCADRP COC(=O)[C@H](CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])NC(=O)OC(C)(C)C ZINC001181117204 1206404735 /nfs/dbraw/zinc/40/47/35/1206404735.db2.gz ADDUEVRRVCAACX-NSHDSACASA-N 2 0 373.454 0.294 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001181895835 1206417064 /nfs/dbraw/zinc/41/70/64/1206417064.db2.gz GSRABPSPXBCTKL-YKTARERQSA-N 2 0 368.522 0.258 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001181994403 1206418546 /nfs/dbraw/zinc/41/85/46/1206418546.db2.gz JBPZRKGPSBVTJQ-GOSISDBHSA-N 2 0 374.533 0.847 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001183373337 1206453006 /nfs/dbraw/zinc/45/30/06/1206453006.db2.gz RPWRPOHNERVGIN-BETUJISGSA-N 2 0 363.462 0.191 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000774814395 1206474640 /nfs/dbraw/zinc/47/46/40/1206474640.db2.gz HYHIZDLKTQUZNO-CVEARBPZSA-N 2 0 366.506 0.347 20 0 FCADRP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1CCN(c2ncccc2N)CC1 ZINC001185233028 1206475830 /nfs/dbraw/zinc/47/58/30/1206475830.db2.gz QVHFFXGWOTWQLA-SFHVURJKSA-N 2 0 369.469 0.805 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)[C@@H]2C ZINC001185253041 1206477346 /nfs/dbraw/zinc/47/73/46/1206477346.db2.gz VJMFMABKAFHUQS-WBVHZDCISA-N 2 0 362.522 0.872 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000774855310 1206478390 /nfs/dbraw/zinc/47/83/90/1206478390.db2.gz PZAUZJUALGQRNR-UHFFFAOYSA-N 2 0 360.502 0.830 20 0 FCADRP C[C@@H](C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2)[NH+]1CCCC1 ZINC001273504556 1206481202 /nfs/dbraw/zinc/48/12/02/1206481202.db2.gz XUOKLEOVEPETLE-DOTOQJQBSA-N 2 0 360.502 0.626 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000774886838 1206481582 /nfs/dbraw/zinc/48/15/82/1206481582.db2.gz BEKDRLNEHGRTNV-HOTGVXAUSA-N 2 0 366.506 0.347 20 0 FCADRP COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220627964 1224974078 /nfs/dbraw/zinc/97/40/78/1224974078.db2.gz NMKIGDBWAFRFBU-APWZRJJASA-N 2 0 362.474 0.027 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)CC1 ZINC001220638163 1224979158 /nfs/dbraw/zinc/97/91/58/1224979158.db2.gz VARPCVVGXLSUEE-MOPGFXCFSA-N 2 0 361.486 0.501 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001220643192 1224982577 /nfs/dbraw/zinc/98/25/77/1224982577.db2.gz UADPBSCEOOYWNU-SYNTWQANSA-N 2 0 369.506 0.074 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220652083 1224992578 /nfs/dbraw/zinc/99/25/78/1224992578.db2.gz UMCJGESXZUVASJ-INIZCTEOSA-N 2 0 361.490 0.202 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001188107407 1207422373 /nfs/dbraw/zinc/42/23/73/1207422373.db2.gz NTUJFUHWCSHTPV-YESZJQIVSA-N 2 0 368.497 0.821 20 0 FCADRP CN(CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405855 1207454707 /nfs/dbraw/zinc/45/47/07/1207454707.db2.gz QTVNCGRZHUHZGI-RYQLBKOJSA-N 2 0 371.485 0.671 20 0 FCADRP COCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609497 1207466690 /nfs/dbraw/zinc/46/66/90/1207466690.db2.gz FCASNYPNIQYFLC-KZIZELGASA-N 2 0 363.502 0.809 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001188970863 1207492883 /nfs/dbraw/zinc/49/28/83/1207492883.db2.gz OGDNWPUUONIVMN-GVDBMIGSSA-N 2 0 361.490 0.119 20 0 FCADRP COc1cncc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188971452 1207493213 /nfs/dbraw/zinc/49/32/13/1207493213.db2.gz TYYLZNWBIZPKGX-GOEBONIOSA-N 2 0 359.474 0.860 20 0 FCADRP CCn1nc(C)c(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188971182 1207493381 /nfs/dbraw/zinc/49/33/81/1207493381.db2.gz PKKFNOLYDRBESU-DOTOQJQBSA-N 2 0 360.506 0.981 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001188979285 1207496652 /nfs/dbraw/zinc/49/66/52/1207496652.db2.gz NRJJGXHGUZWKOZ-JKSUJKDBSA-N 2 0 367.538 0.959 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189471978 1207552004 /nfs/dbraw/zinc/55/20/04/1207552004.db2.gz YUOWTJDRTBTSEA-JKSUJKDBSA-N 2 0 367.538 0.959 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810839 1207603578 /nfs/dbraw/zinc/60/35/78/1207603578.db2.gz JLAVXWGKWNIWHJ-ZWKOTPCHSA-N 2 0 363.506 0.556 20 0 FCADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820062 1207605295 /nfs/dbraw/zinc/60/52/95/1207605295.db2.gz MSFQRPOSWDCEMY-HRCADAONSA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820163 1207606340 /nfs/dbraw/zinc/60/63/40/1207606340.db2.gz SWHSTVLBXKIAOP-IXDOHACOSA-N 2 0 368.522 0.353 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220683575 1225010111 /nfs/dbraw/zinc/01/01/11/1225010111.db2.gz OTRKGUJZRGMIQZ-AYMSOESYSA-N 2 0 354.454 0.888 20 0 FCADRP CN1CCN(C(=O)NCC[N@H+](C)C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775430748 1207751943 /nfs/dbraw/zinc/75/19/43/1207751943.db2.gz QOEUUBZYINMCBK-OAHLLOKOSA-N 2 0 369.510 0.931 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001220706694 1225027385 /nfs/dbraw/zinc/02/73/85/1225027385.db2.gz ITVLGUBROCWPHC-GOSISDBHSA-N 2 0 356.474 0.298 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CCC1 ZINC001193774021 1207887868 /nfs/dbraw/zinc/88/78/68/1207887868.db2.gz FYGWGRXXIKWOBG-BRWVUGGUSA-N 2 0 365.449 0.505 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cc1 ZINC001193805598 1207891407 /nfs/dbraw/zinc/89/14/07/1207891407.db2.gz PVGARDKACFYFJQ-RTBURBONSA-N 2 0 361.486 0.883 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273665722 1207893308 /nfs/dbraw/zinc/89/33/08/1207893308.db2.gz CRYMESLUBFHKML-UHFFFAOYSA-N 2 0 362.478 0.070 20 0 FCADRP C[NH+]1CCN(c2cncc(C(=O)N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001193951297 1207900639 /nfs/dbraw/zinc/90/06/39/1207900639.db2.gz GYHWUEIQUSJSRT-QAQDUYKDSA-N 2 0 373.501 0.944 20 0 FCADRP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831919 1207978251 /nfs/dbraw/zinc/97/82/51/1207978251.db2.gz IVWKFBGNOAHGDT-PDTHQLTOSA-N 2 0 363.502 0.757 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)C1CCCCC1 ZINC001194987683 1207986617 /nfs/dbraw/zinc/98/66/17/1207986617.db2.gz AKLBJXIXOWAJJF-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@H](C(=O)NCC1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869401 1208045133 /nfs/dbraw/zinc/04/51/33/1208045133.db2.gz CLBKPJIXBGZTJG-DJIMGWMZSA-N 2 0 368.522 0.184 20 0 FCADRP CC(C)CN(CC(C)C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869867 1208045287 /nfs/dbraw/zinc/04/52/87/1208045287.db2.gz FCUGPAQBUZFYGT-IAGOWNOFSA-N 2 0 370.538 0.240 20 0 FCADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001196284388 1208072041 /nfs/dbraw/zinc/07/20/41/1208072041.db2.gz SLIICANVZMAGGF-YFHUEUNASA-N 2 0 364.490 0.748 20 0 FCADRP O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220736210 1225044887 /nfs/dbraw/zinc/04/48/87/1225044887.db2.gz DTMGFHMDVIPTKY-QZTJIDSGSA-N 2 0 358.486 0.882 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320402 1208153506 /nfs/dbraw/zinc/15/35/06/1208153506.db2.gz ZCODDJVMXINDHV-RTBURBONSA-N 2 0 361.486 0.767 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001198028836 1208215659 /nfs/dbraw/zinc/21/56/59/1208215659.db2.gz JIECMTDQONDIEC-IPMKNSEASA-N 2 0 363.502 0.483 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC001198031525 1208215686 /nfs/dbraw/zinc/21/56/86/1208215686.db2.gz WAEOZIINFDSVAH-INIZCTEOSA-N 2 0 360.458 0.605 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199056958 1208314712 /nfs/dbraw/zinc/31/47/12/1208314712.db2.gz BLQALCFIUVSXMI-QZTJIDSGSA-N 2 0 363.506 0.537 20 0 FCADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111896 1208321803 /nfs/dbraw/zinc/32/18/03/1208321803.db2.gz RCHHXZVZSYOVOB-IPMKNSEASA-N 2 0 363.502 0.746 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001220764855 1225060885 /nfs/dbraw/zinc/06/08/85/1225060885.db2.gz ZRCCJPBREPPDFM-MSOLQXFVSA-N 2 0 371.522 0.465 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273834293 1208409338 /nfs/dbraw/zinc/40/93/38/1208409338.db2.gz CMYWYXXZDOVPCX-SJORKVTESA-N 2 0 360.502 0.483 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001691703722 1208426923 /nfs/dbraw/zinc/42/69/23/1208426923.db2.gz IHZZOAGMHADLAV-DLBZAZTESA-N 2 0 363.506 0.682 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCOC)C1)[NH+](C)C ZINC001691707340 1208439009 /nfs/dbraw/zinc/43/90/09/1208439009.db2.gz OKKGLNZYUXOTSQ-GVDBMIGSSA-N 2 0 351.495 0.681 20 0 FCADRP [NH3+]C1(C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)CCC2(CC1)OCCO2 ZINC001220789014 1225075064 /nfs/dbraw/zinc/07/50/64/1225075064.db2.gz IJGWJODLTOWWOQ-HZPDHXFCSA-N 2 0 360.458 0.863 20 0 FCADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)c1cccnc1N1CC[NH2+]CC1 ZINC001220793820 1225077618 /nfs/dbraw/zinc/07/76/18/1225077618.db2.gz IKNKXXWEHCYLPM-SJLPKXTDSA-N 2 0 366.469 0.967 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220801516 1225080086 /nfs/dbraw/zinc/08/00/86/1225080086.db2.gz ZYHINKCNAPYMTI-IJLUTSLNSA-N 2 0 372.395 0.186 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001489207644 1208672637 /nfs/dbraw/zinc/67/26/37/1208672637.db2.gz WHAKGBNLXGZLCR-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001489589380 1209008856 /nfs/dbraw/zinc/00/88/56/1209008856.db2.gz DSDZEEYGHSKGRW-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001489592281 1209014158 /nfs/dbraw/zinc/01/41/58/1209014158.db2.gz PBOMWJNSOHEJEJ-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001489667808 1209079921 /nfs/dbraw/zinc/07/99/21/1209079921.db2.gz LLLOVOWVTJVCRR-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220857788 1225112211 /nfs/dbraw/zinc/11/22/11/1225112211.db2.gz RNEOLMAXHNMGAX-ZWKOTPCHSA-N 2 0 350.422 0.874 20 0 FCADRP CCOC(=O)[C@@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001220875917 1225120159 /nfs/dbraw/zinc/12/01/59/1225120159.db2.gz BGDKUAIMJDGKRA-DLBZAZTESA-N 2 0 362.474 0.200 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1)[NH+](C)C ZINC001490044597 1209225311 /nfs/dbraw/zinc/22/53/11/1209225311.db2.gz PWEVVJKJHKRHBS-RYRKJORJSA-N 2 0 352.523 0.831 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000850865335 1209493417 /nfs/dbraw/zinc/49/34/17/1209493417.db2.gz XUKOYKYWCIOOOR-AWEZNQCLSA-N 2 0 361.490 0.880 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000851665770 1209508914 /nfs/dbraw/zinc/50/89/14/1209508914.db2.gz CWDUJNOPQJNAIF-KRWDZBQOSA-N 2 0 361.490 0.535 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220920813 1225141187 /nfs/dbraw/zinc/14/11/87/1225141187.db2.gz OVXGQCCPUPCVPA-ZBFHGGJFSA-N 2 0 368.522 0.768 20 0 FCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851856737 1209522328 /nfs/dbraw/zinc/52/23/28/1209522328.db2.gz AIUQZDFMOKLFQI-OAQYLSRUSA-N 2 0 374.529 0.850 20 0 FCADRP O=C1OCCN1[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852437187 1209550619 /nfs/dbraw/zinc/55/06/19/1209550619.db2.gz VEWMFMQSJAEIOP-HZPDHXFCSA-N 2 0 366.462 0.820 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220926747 1225144269 /nfs/dbraw/zinc/14/42/69/1225144269.db2.gz YNMUSFOXMHTOEG-UYAOXDASSA-N 3 0 357.502 0.609 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926590 1225144395 /nfs/dbraw/zinc/14/43/95/1225144395.db2.gz SFRHZHJRPPCIHL-MRXNPFEDSA-N 2 0 362.478 0.186 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000852922523 1209578187 /nfs/dbraw/zinc/57/81/87/1209578187.db2.gz YQOBZROHBOJWSS-QYZOEREBSA-N 2 0 370.497 0.582 20 0 FCADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935911 1225148338 /nfs/dbraw/zinc/14/83/38/1225148338.db2.gz ANKVPYZTUQOQQB-MSOLQXFVSA-N 2 0 358.486 0.203 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC(O)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854649803 1209637953 /nfs/dbraw/zinc/63/79/53/1209637953.db2.gz HALCURAWCAVSAP-MUIFIZLQSA-N 2 0 368.522 0.230 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220950733 1225153834 /nfs/dbraw/zinc/15/38/34/1225153834.db2.gz DRNJXRTXCVTXMK-IMJJTQAJSA-N 2 0 374.489 0.418 20 0 FCADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220970997 1225165826 /nfs/dbraw/zinc/16/58/26/1225165826.db2.gz ORKZDKQCUMKCMH-HOTGVXAUSA-N 2 0 362.449 0.570 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000861539858 1209870134 /nfs/dbraw/zinc/87/01/34/1209870134.db2.gz QIKPSERVTIPADG-OAHLLOKOSA-N 2 0 361.490 0.568 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1NC(=O)CC[NH+](C)C ZINC000861542655 1209870547 /nfs/dbraw/zinc/87/05/47/1209870547.db2.gz REYOWDRTEYIJSR-ZDUSSCGKSA-N 2 0 363.462 0.629 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2)CC1 ZINC000861542673 1209870566 /nfs/dbraw/zinc/87/05/66/1209870566.db2.gz RRFWCMYDTUMQBJ-OAHLLOKOSA-N 2 0 361.490 0.961 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861573571 1209871830 /nfs/dbraw/zinc/87/18/30/1209871830.db2.gz JLXKVNKQAXUCCE-FGTMMUONSA-N 2 0 366.506 0.650 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000861732826 1209877788 /nfs/dbraw/zinc/87/77/88/1209877788.db2.gz MBCKQFKNXVAXKU-WMLDXEAASA-N 2 0 362.474 0.754 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861740197 1209878623 /nfs/dbraw/zinc/87/86/23/1209878623.db2.gz NYRXPNXADQDOFE-UHFFFAOYSA-N 2 0 368.522 0.581 20 0 FCADRP O=C(NC1CN(c2ncnc3ccccc32)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220985590 1225174279 /nfs/dbraw/zinc/17/42/79/1225174279.db2.gz XWAROVHCCGBLMG-KRWDZBQOSA-N 2 0 366.469 0.809 20 0 FCADRP O=C(NC1CN(c2ncnc3ccccc32)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220985591 1225174780 /nfs/dbraw/zinc/17/47/80/1225174780.db2.gz XWAROVHCCGBLMG-QGZVFWFLSA-N 2 0 366.469 0.809 20 0 FCADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000865605130 1209981384 /nfs/dbraw/zinc/98/13/84/1209981384.db2.gz NCNBEBOXOLLBRS-BJWYYQGGSA-N 2 0 366.481 0.526 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000867564070 1210013685 /nfs/dbraw/zinc/01/36/85/1210013685.db2.gz GMCDXQYWCNWDMX-UHFFFAOYSA-N 2 0 367.538 0.023 20 0 FCADRP C[NH+]1CCC(ONC(=O)[C@@H]2CC[C@@H]2C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000868089977 1210041248 /nfs/dbraw/zinc/04/12/48/1210041248.db2.gz APQFLAZOKYBPDZ-IYBDPMFKSA-N 2 0 368.478 0.297 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000868309767 1210051092 /nfs/dbraw/zinc/05/10/92/1210051092.db2.gz MGCZWXHQGKWQSF-HNNXBMFYSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2cccc(O)c2)CC1 ZINC001221006169 1225183337 /nfs/dbraw/zinc/18/33/37/1225183337.db2.gz BIDNAQFWXSUOGE-BFYDXBDKSA-N 2 0 362.474 0.367 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006795 1225183473 /nfs/dbraw/zinc/18/34/73/1225183473.db2.gz MRJCDTITHUYYDH-ULQDDVLXSA-N 3 0 369.554 0.587 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875155456 1210343053 /nfs/dbraw/zinc/34/30/53/1210343053.db2.gz AVQMSUSZSFNJSX-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000875334012 1210366391 /nfs/dbraw/zinc/36/63/91/1210366391.db2.gz JFGNOEQQZSSJJQ-NVXWUHKLSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780077 1210429013 /nfs/dbraw/zinc/42/90/13/1210429013.db2.gz CLJFDDSYADQAER-DLBZAZTESA-N 2 0 362.522 0.872 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)nn1 ZINC000877207223 1210439634 /nfs/dbraw/zinc/43/96/34/1210439634.db2.gz PLAQSSQJVOXDLI-ZWKOTPCHSA-N 2 0 354.458 0.978 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000878847818 1210467556 /nfs/dbraw/zinc/46/75/56/1210467556.db2.gz BCFBUIDIOIWUSK-UHFFFAOYSA-N 2 0 363.510 0.688 20 0 FCADRP COc1cccc(C2(NC(=O)CN3CCCC[C@H]([NH3+])C3=O)CC[NH2+]CC2)c1 ZINC001221095546 1225221205 /nfs/dbraw/zinc/22/12/05/1225221205.db2.gz AORITZIMIZXBLN-KRWDZBQOSA-N 2 0 374.485 0.730 20 0 FCADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc(C(=O)N2CCOCC2)c1 ZINC000882581169 1210626773 /nfs/dbraw/zinc/62/67/73/1210626773.db2.gz PKLKXZBSHCBQHC-INIZCTEOSA-N 2 0 363.506 0.660 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116000 1225228258 /nfs/dbraw/zinc/22/82/58/1225228258.db2.gz HAYSBTGIOGXQRC-INIZCTEOSA-N 2 0 361.490 0.453 20 0 FCADRP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883083173 1210651331 /nfs/dbraw/zinc/65/13/31/1210651331.db2.gz CHMDZZASNNGRFN-SFHVURJKSA-N 2 0 367.538 0.568 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C1CC1 ZINC000883285287 1210660878 /nfs/dbraw/zinc/66/08/78/1210660878.db2.gz LHCXCGRSIDDJFJ-UHFFFAOYSA-N 2 0 365.522 0.986 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883331898 1210661945 /nfs/dbraw/zinc/66/19/45/1210661945.db2.gz JFNAMQNIVGBXBS-FGTMMUONSA-N 2 0 366.506 0.792 20 0 FCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000883308095 1210662314 /nfs/dbraw/zinc/66/23/14/1210662314.db2.gz HZRRAWBCKJWTMK-KRWDZBQOSA-N 2 0 361.490 0.871 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000883603707 1210672905 /nfs/dbraw/zinc/67/29/05/1210672905.db2.gz BMAZOOWBZIKPIH-FUHWJXTLSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883606127 1210673832 /nfs/dbraw/zinc/67/38/32/1210673832.db2.gz JNHCXRVKRVICGK-RHSMWYFYSA-N 2 0 359.474 0.715 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000883638511 1210677010 /nfs/dbraw/zinc/67/70/10/1210677010.db2.gz OOVSDUBOKIPBAK-FHERZECASA-N 2 0 359.474 0.847 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883640637 1210677856 /nfs/dbraw/zinc/67/78/56/1210677856.db2.gz VCVHTSBBECLACP-OWCLPIDISA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)[C@@H]1C[NH3+] ZINC000883640423 1210677931 /nfs/dbraw/zinc/67/79/31/1210677931.db2.gz PIKNQSUBEONGMY-BFYDXBDKSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883642428 1210678412 /nfs/dbraw/zinc/67/84/12/1210678412.db2.gz LNSCODRRLDXPBT-HZPDHXFCSA-N 2 0 359.474 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCN1c1cc[nH+]cc1 ZINC000883642168 1210678415 /nfs/dbraw/zinc/67/84/15/1210678415.db2.gz FYKRLEGBUSFPBW-OIISXLGYSA-N 2 0 357.458 0.472 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000883645107 1210678652 /nfs/dbraw/zinc/67/86/52/1210678652.db2.gz ABZVDIMBBASZNL-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)c1cccnc1N1CC[NH2+]CC1 ZINC001221124091 1225230323 /nfs/dbraw/zinc/23/03/23/1225230323.db2.gz VYCXLUZDHSFFHK-UHFFFAOYSA-N 2 0 366.469 0.895 20 0 FCADRP CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1(C[NH3+])CCCCC1 ZINC000883655279 1210680801 /nfs/dbraw/zinc/68/08/01/1210680801.db2.gz ZTRJBLAXPRKZQV-INIZCTEOSA-N 2 0 368.522 0.676 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000884219958 1210723977 /nfs/dbraw/zinc/72/39/77/1210723977.db2.gz BOZJAGRFCYDEHK-UHFFFAOYSA-N 2 0 373.501 0.676 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221587 1210724377 /nfs/dbraw/zinc/72/43/77/1210724377.db2.gz VNNLDTVNEVHLLL-QGZVFWFLSA-N 2 0 372.517 0.390 20 0 FCADRP COCC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000884236375 1210725549 /nfs/dbraw/zinc/72/55/49/1210725549.db2.gz SQRDEKPUTWQELG-MRXNPFEDSA-N 2 0 364.490 0.639 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884300212 1210729123 /nfs/dbraw/zinc/72/91/23/1210729123.db2.gz RSZQFTFIXQYNOV-AEFFLSMTSA-N 2 0 359.474 0.460 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884490659 1210738721 /nfs/dbraw/zinc/73/87/21/1210738721.db2.gz BZPNBFGRIIGXDA-RCCFBDPRSA-N 2 0 358.486 0.806 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884509560 1210741808 /nfs/dbraw/zinc/74/18/08/1210741808.db2.gz JNPOLWHWLJVLQI-MAUKXSAKSA-N 2 0 373.501 0.934 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884516636 1210742756 /nfs/dbraw/zinc/74/27/56/1210742756.db2.gz PKYOHCDPANQQHS-KDURUIRLSA-N 2 0 370.497 0.773 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884517908 1210743535 /nfs/dbraw/zinc/74/35/35/1210743535.db2.gz ZAKOERXPZABDMH-QGZVFWFLSA-N 2 0 359.474 0.373 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000884518363 1210743684 /nfs/dbraw/zinc/74/36/84/1210743684.db2.gz NDPUUGYENHABNV-MSOLQXFVSA-N 2 0 374.485 0.596 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532779 1210745905 /nfs/dbraw/zinc/74/59/05/1210745905.db2.gz QDTYEPGJFSPKOW-DKIMLUQUSA-N 2 0 356.470 0.586 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884576576 1210753999 /nfs/dbraw/zinc/75/39/99/1210753999.db2.gz KUHHZUUUDZMJAA-UHFFFAOYSA-N 2 0 358.486 0.797 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577430 1210755241 /nfs/dbraw/zinc/75/52/41/1210755241.db2.gz FFQQPFFSGGHYMY-CVEARBPZSA-N 2 0 366.506 0.252 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(F)cc1 ZINC000884576829 1210755779 /nfs/dbraw/zinc/75/57/79/1210755779.db2.gz RFZXKJIBHILSDQ-URLQWDBASA-N 2 0 362.449 0.613 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000884580227 1210757178 /nfs/dbraw/zinc/75/71/78/1210757178.db2.gz WFCFAYNXENPGAN-SJORKVTESA-N 2 0 373.501 0.263 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884597799 1210759043 /nfs/dbraw/zinc/75/90/43/1210759043.db2.gz KGWLYMCKYLJGBP-IBGZPJMESA-N 2 0 368.522 0.439 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604993 1210761050 /nfs/dbraw/zinc/76/10/50/1210761050.db2.gz SRTBIZOBTLPTPT-OWLYRPNTSA-N 2 0 356.470 0.586 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000884604766 1210761092 /nfs/dbraw/zinc/76/10/92/1210761092.db2.gz OHIIAUAGZYBFBT-RYQLBKOJSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000884618618 1210763698 /nfs/dbraw/zinc/76/36/98/1210763698.db2.gz JBROXLCXTXVGHK-RHSMWYFYSA-N 2 0 374.485 0.208 20 0 FCADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884626579 1210765804 /nfs/dbraw/zinc/76/58/04/1210765804.db2.gz PDBFMZCXAPJYEV-FQEVSTJZSA-N 2 0 362.518 0.969 20 0 FCADRP CCN(C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884632477 1210768921 /nfs/dbraw/zinc/76/89/21/1210768921.db2.gz NJEGZOFDZHPCIU-QGZVFWFLSA-N 2 0 359.474 0.625 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884639686 1210769671 /nfs/dbraw/zinc/76/96/71/1210769671.db2.gz GVQXDSSRWUFQHH-HOTGVXAUSA-N 2 0 364.490 0.101 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000884656656 1210773303 /nfs/dbraw/zinc/77/33/03/1210773303.db2.gz OYVKUEYXJVXKSB-OAHLLOKOSA-N 2 0 368.522 0.593 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000884661567 1210773991 /nfs/dbraw/zinc/77/39/91/1210773991.db2.gz VEVKDMVTCMGTSO-DLBZAZTESA-N 2 0 362.449 0.727 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CCCC2)CC1 ZINC000884656794 1210774336 /nfs/dbraw/zinc/77/43/36/1210774336.db2.gz ULUYPADHIOFTOO-HUUCEWRRSA-N 2 0 366.506 0.474 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884670031 1210775674 /nfs/dbraw/zinc/77/56/74/1210775674.db2.gz NIIVSQXZWKUGRV-MRXNPFEDSA-N 2 0 367.538 0.106 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884670030 1210776330 /nfs/dbraw/zinc/77/63/30/1210776330.db2.gz NIIVSQXZWKUGRV-INIZCTEOSA-N 2 0 367.538 0.106 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678813 1210779091 /nfs/dbraw/zinc/77/90/91/1210779091.db2.gz MWUXVEVUWMTVCA-OLMNPRSZSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000884683688 1210779959 /nfs/dbraw/zinc/77/99/59/1210779959.db2.gz LFWPGTJTNFAGNY-PMPSAXMXSA-N 2 0 359.474 0.623 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884687703 1210781237 /nfs/dbraw/zinc/78/12/37/1210781237.db2.gz FWXRLZBLIYAYOD-FXAWDEMLSA-N 2 0 358.486 0.693 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884701876 1210783331 /nfs/dbraw/zinc/78/33/31/1210783331.db2.gz QQVINMKQJVEBAI-RYQLBKOJSA-N 2 0 360.502 0.970 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694346 1210783506 /nfs/dbraw/zinc/78/35/06/1210783506.db2.gz JXPOIRBRXKRTGG-MSOLQXFVSA-N 2 0 358.486 0.944 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000884697897 1210783784 /nfs/dbraw/zinc/78/37/84/1210783784.db2.gz GNHZWWXZPSYYAN-DOTOQJQBSA-N 2 0 362.474 0.023 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000884716609 1210786827 /nfs/dbraw/zinc/78/68/27/1210786827.db2.gz CWUXWPSBQNTYNR-NJAFHUGGSA-N 2 0 358.486 0.800 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884775017 1210793488 /nfs/dbraw/zinc/79/34/88/1210793488.db2.gz WNCLGSBFZYYDID-CAOSSQGBSA-N 2 0 368.522 0.495 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000884791135 1210795734 /nfs/dbraw/zinc/79/57/34/1210795734.db2.gz RBWCJEZNEWATFT-RCDNUKIMSA-N 2 0 353.426 0.609 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833035 1210800019 /nfs/dbraw/zinc/80/00/19/1210800019.db2.gz FIKFFAQDCCXLMM-JJXOGSGTSA-N 2 0 370.497 0.820 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000884839041 1210800695 /nfs/dbraw/zinc/80/06/95/1210800695.db2.gz VPHJRTGYJYQLSQ-MRXNPFEDSA-N 2 0 370.497 0.893 20 0 FCADRP C[N@@H+]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000884839145 1210800759 /nfs/dbraw/zinc/80/07/59/1210800759.db2.gz ZREPVCORFMICPQ-UHFFFAOYSA-N 2 0 358.486 0.891 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884848306 1210801174 /nfs/dbraw/zinc/80/11/74/1210801174.db2.gz UEVURUPNFXNPBY-UHFFFAOYSA-N 2 0 358.486 0.893 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000884847720 1210801244 /nfs/dbraw/zinc/80/12/44/1210801244.db2.gz IRTVWPXVSBXZDK-KRWDZBQOSA-N 2 0 356.470 0.645 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884890361 1210803316 /nfs/dbraw/zinc/80/33/16/1210803316.db2.gz SPPWMWMDCQDBNE-SFHVURJKSA-N 2 0 360.502 0.863 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908490 1210803614 /nfs/dbraw/zinc/80/36/14/1210803614.db2.gz RLPOKYIJEOMOCN-BZUAXINKSA-N 2 0 359.474 0.752 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884908789 1210803652 /nfs/dbraw/zinc/80/36/52/1210803652.db2.gz DIWJSTSCTBDMSB-WKILWMFISA-N 2 0 366.506 0.333 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000884982636 1210806587 /nfs/dbraw/zinc/80/65/87/1210806587.db2.gz GXTYIBDYDFBRME-ZWKOTPCHSA-N 2 0 374.485 0.262 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983405 1210806801 /nfs/dbraw/zinc/80/68/01/1210806801.db2.gz QWIDVRPBSZTWOL-QZTJIDSGSA-N 2 0 358.486 0.753 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137884 1210811884 /nfs/dbraw/zinc/81/18/84/1210811884.db2.gz KPLQCHNUPMGYMJ-GJZGRUSLSA-N 2 0 366.506 0.250 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885144091 1210812137 /nfs/dbraw/zinc/81/21/37/1210812137.db2.gz YTTXDHMVUUUDLK-CVEARBPZSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152564 1210813091 /nfs/dbraw/zinc/81/30/91/1210813091.db2.gz QYIVMXMVWZFSNF-SJORKVTESA-N 2 0 358.486 0.806 20 0 FCADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000885152725 1210813104 /nfs/dbraw/zinc/81/31/04/1210813104.db2.gz VJVGMFOFSZHODT-QGZVFWFLSA-N 2 0 358.486 0.760 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157301 1210813601 /nfs/dbraw/zinc/81/36/01/1210813601.db2.gz KOUSQKCSYSCAMP-MSOLQXFVSA-N 2 0 358.486 0.760 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000885167993 1210814411 /nfs/dbraw/zinc/81/44/11/1210814411.db2.gz RZURUCXOPVBAQO-OALUTQOASA-N 2 0 370.497 0.904 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)n2)CC1 ZINC000885876764 1210821099 /nfs/dbraw/zinc/82/10/99/1210821099.db2.gz XTSJJWBYBYWUMU-KRWDZBQOSA-N 2 0 373.501 0.817 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000886990735 1210841647 /nfs/dbraw/zinc/84/16/47/1210841647.db2.gz STXWHEAVFVNODE-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221154484 1225242936 /nfs/dbraw/zinc/24/29/36/1225242936.db2.gz OAMUGMXEMXJULY-MSOLQXFVSA-N 2 0 363.506 0.390 20 0 FCADRP O=C1C[C@@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306002 1210854281 /nfs/dbraw/zinc/85/42/81/1210854281.db2.gz GDCHQTLTNSBYTC-IPMKNSEASA-N 2 0 371.481 0.950 20 0 FCADRP [NH3+][C@H]1CCCN(Cc2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451469 1210858611 /nfs/dbraw/zinc/85/86/11/1210858611.db2.gz NHTFQVVDSPNLPL-AZUAARDMSA-N 2 0 370.501 0.838 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C24CC[NH+](CC2)CC4)C3)CC1 ZINC001274006750 1210859511 /nfs/dbraw/zinc/85/95/11/1210859511.db2.gz XOHPSNXVHXEMFI-MRXNPFEDSA-N 2 0 360.502 0.531 20 0 FCADRP COC(=O)Cn1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000887556437 1210865855 /nfs/dbraw/zinc/86/58/55/1210865855.db2.gz ORUISJVOYHPVJK-UHFFFAOYSA-N 2 0 364.494 0.301 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083338 1210875931 /nfs/dbraw/zinc/87/59/31/1210875931.db2.gz DPWGNKBZAPTKTR-NVXWUHKLSA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001274097681 1210879624 /nfs/dbraw/zinc/87/96/24/1210879624.db2.gz GKEKXWGNAFBNQG-OXFYSEKESA-N 2 0 360.502 0.387 20 0 FCADRP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274203765 1210911828 /nfs/dbraw/zinc/91/18/28/1210911828.db2.gz PCMJRWTZRAOHBG-IBGZPJMESA-N 2 0 366.550 0.709 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134546 1210966956 /nfs/dbraw/zinc/96/69/56/1210966956.db2.gz ZVHATPZGCRWEIH-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134911 1210968639 /nfs/dbraw/zinc/96/86/39/1210968639.db2.gz VQFUVRKMEDSTJC-SFHVURJKSA-N 2 0 365.522 0.344 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001274419406 1211049875 /nfs/dbraw/zinc/04/98/75/1211049875.db2.gz SHVWUQTWFJKIAT-YLJYHZDGSA-N 2 0 362.518 0.731 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@@]2(N)CC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183436 1225258639 /nfs/dbraw/zinc/25/86/39/1225258639.db2.gz IVIIFRKHPIOXBI-MBOZVWFJSA-N 2 0 374.485 0.763 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001221188589 1225260892 /nfs/dbraw/zinc/26/08/92/1225260892.db2.gz YDGFUYJCVSGETA-INIZCTEOSA-N 2 0 362.474 0.377 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001221190613 1225262614 /nfs/dbraw/zinc/26/26/14/1225262614.db2.gz VARJGYRUFBWQIV-INIZCTEOSA-N 2 0 373.457 0.359 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171698 1211187813 /nfs/dbraw/zinc/18/78/13/1211187813.db2.gz NKIJGROMNCCELH-ZIFCJYIRSA-N 2 0 359.518 0.931 20 0 FCADRP CCOC(=O)CCCCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001275305496 1211212901 /nfs/dbraw/zinc/21/29/01/1211212901.db2.gz YQTFGDFFHPWLJB-UHFFFAOYSA-N 2 0 369.506 0.975 20 0 FCADRP CC(C)OC(=O)CN1C[C@]2(CCN(Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275446778 1211239255 /nfs/dbraw/zinc/23/92/55/1211239255.db2.gz BVQQYCIQXURXGD-GOSISDBHSA-N 2 0 362.430 0.249 20 0 FCADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275512711 1211253015 /nfs/dbraw/zinc/25/30/15/1211253015.db2.gz USKWBOWFBAOVNM-HXUWFJFHSA-N 2 0 366.550 0.831 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557530 1211257579 /nfs/dbraw/zinc/25/75/79/1211257579.db2.gz ZEXQMAPSDQJMEX-LJQANCHMSA-N 2 0 366.506 0.156 20 0 FCADRP Cn1cnnc1CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736357 1211278998 /nfs/dbraw/zinc/27/89/98/1211278998.db2.gz DIJLGBVAPGXKMJ-SFHVURJKSA-N 2 0 360.462 0.156 20 0 FCADRP COC(CN1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275833559 1211293726 /nfs/dbraw/zinc/29/37/26/1211293726.db2.gz KGIGSYUFVIUIJY-IBGZPJMESA-N 2 0 369.506 0.641 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878595 1211303139 /nfs/dbraw/zinc/30/31/39/1211303139.db2.gz LTHTVXUSLCHNDC-MDZRGWNJSA-N 2 0 367.490 0.441 20 0 FCADRP COC(CN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2)OC ZINC001275878158 1211303798 /nfs/dbraw/zinc/30/37/98/1211303798.db2.gz ICFZQHRYRCWMHI-VQIMIIECSA-N 2 0 369.506 0.498 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CCN(C[C@@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878364 1211303830 /nfs/dbraw/zinc/30/38/30/1211303830.db2.gz KHPRBZSKTAHLQX-IRXDYDNUSA-N 2 0 362.518 0.921 20 0 FCADRP CCNC(=O)CN1C[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275878828 1211305800 /nfs/dbraw/zinc/30/58/00/1211305800.db2.gz LYHFNENJEVUCSB-IBGZPJMESA-N 2 0 366.506 0.158 20 0 FCADRP Cn1cnnc1CN1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275879253 1211306273 /nfs/dbraw/zinc/30/62/73/1211306273.db2.gz PDEMZUOSJRRGBJ-MRXNPFEDSA-N 2 0 360.506 0.971 20 0 FCADRP COCCn1cc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cn1 ZINC001275972632 1211319446 /nfs/dbraw/zinc/31/94/46/1211319446.db2.gz IFHIFUCJBOCXPT-UHFFFAOYSA-N 2 0 363.506 0.906 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371304403 1211335623 /nfs/dbraw/zinc/33/56/23/1211335623.db2.gz SZDGAGWQIYGIIH-BZSNNMDCSA-N 2 0 367.538 0.375 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001276057339 1211342757 /nfs/dbraw/zinc/34/27/57/1211342757.db2.gz OYOGQDJALAFVHC-IXDOHACOSA-N 2 0 364.534 0.975 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)[C@H]4C[C@@H]([NH+](C)C)C4)(C2)C3)CC1 ZINC001276057411 1211343180 /nfs/dbraw/zinc/34/31/80/1211343180.db2.gz QOBKJODNHQYGGA-DSGPDXHQSA-N 2 0 362.518 0.918 20 0 FCADRP CN(C)c1ncc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)cn1 ZINC001276107340 1211355316 /nfs/dbraw/zinc/35/53/16/1211355316.db2.gz PTONBGAEGCLWPC-MRXNPFEDSA-N 2 0 360.506 0.823 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc4cccnc4[nH]3)C2)OCC1=O ZINC001276258373 1211395762 /nfs/dbraw/zinc/39/57/62/1211395762.db2.gz AAOFDUMDGYOTPH-IBGZPJMESA-N 2 0 357.458 0.928 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)C12CCC[NH+](CCC1)C2 ZINC001095605748 1211423285 /nfs/dbraw/zinc/42/32/85/1211423285.db2.gz AAGOYDNBVUUTAT-IKGGRYGDSA-N 2 0 358.490 0.876 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592028 1211438456 /nfs/dbraw/zinc/43/84/56/1211438456.db2.gz BOKGIJDNSIRDHU-DNVCBOLYSA-N 2 0 361.490 0.973 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000546588787 1211438599 /nfs/dbraw/zinc/43/85/99/1211438599.db2.gz IPGOGPRXAYRBKI-FQEVSTJZSA-N 2 0 374.485 0.446 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820136 1225288919 /nfs/dbraw/zinc/28/89/19/1225288919.db2.gz YTKFXLGRSZNIPX-CABCVRRESA-N 2 0 369.506 0.469 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000924442139 1211469468 /nfs/dbraw/zinc/46/94/68/1211469468.db2.gz VGAPJXDMYUNNRD-QGZVFWFLSA-N 2 0 359.474 0.286 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1=O ZINC000924472326 1211471079 /nfs/dbraw/zinc/47/10/79/1211471079.db2.gz DIEHLAUMRZBJHO-ROUUACIJSA-N 2 0 373.501 0.847 20 0 FCADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)cn2)CC1 ZINC000924625360 1211475424 /nfs/dbraw/zinc/47/54/24/1211475424.db2.gz FLHOBWOEBQUZCQ-QGZVFWFLSA-N 2 0 359.474 0.218 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000924721949 1211478361 /nfs/dbraw/zinc/47/83/61/1211478361.db2.gz ITSPFCBNPSFQCK-KRWDZBQOSA-N 2 0 360.458 0.625 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925408840 1211499318 /nfs/dbraw/zinc/49/93/18/1211499318.db2.gz BLBAVVGJNKLFMN-MRXNPFEDSA-N 2 0 367.538 0.816 20 0 FCADRP Cc1ccc(N2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000927218384 1211567481 /nfs/dbraw/zinc/56/74/81/1211567481.db2.gz ZYYWEEVULXEPBK-OAHLLOKOSA-N 2 0 361.446 0.872 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCOC1 ZINC001110961698 1211617323 /nfs/dbraw/zinc/61/73/23/1211617323.db2.gz DXDPWHAIZFVFGC-VQHPVUNQSA-N 2 0 366.506 0.202 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)c1 ZINC001221403189 1225306173 /nfs/dbraw/zinc/30/61/73/1225306173.db2.gz GNDLPKXHVXQGES-OAHLLOKOSA-N 2 0 356.430 0.325 20 0 FCADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c1 ZINC001221403131 1225306321 /nfs/dbraw/zinc/30/63/21/1225306321.db2.gz FLHKAUJGKSGEPB-ROUUACIJSA-N 2 0 370.453 0.497 20 0 FCADRP CN(C)C(=O)c1ccc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001221393400 1225306439 /nfs/dbraw/zinc/30/64/39/1225306439.db2.gz XSUNFNMMBUXTHQ-QGZVFWFLSA-N 2 0 358.486 0.921 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1 ZINC001110980011 1211683720 /nfs/dbraw/zinc/68/37/20/1211683720.db2.gz MXBMSCGQJYJSAE-ATLSCFEFSA-N 2 0 365.474 0.830 20 0 FCADRP C[NH+](C)CC1(O)CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000931483210 1211757855 /nfs/dbraw/zinc/75/78/55/1211757855.db2.gz YKBFHMNCAAMMNC-GOSISDBHSA-N 2 0 362.518 0.794 20 0 FCADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771957 /nfs/dbraw/zinc/77/19/57/1211771957.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 0 358.490 0.684 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001095768261 1211982203 /nfs/dbraw/zinc/98/22/03/1211982203.db2.gz ATGIUEVPNJNRFQ-IKGGRYGDSA-N 2 0 355.442 0.812 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000969055318 1212250842 /nfs/dbraw/zinc/25/08/42/1212250842.db2.gz FXKKNZWCGLCSOK-IECFSIQFSA-N 2 0 362.518 0.870 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001111297600 1212479557 /nfs/dbraw/zinc/47/95/57/1212479557.db2.gz LOJYNOBZQJMLLL-XDNAFOTISA-N 2 0 363.506 0.697 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(C(=O)CCc1ncc[nH]1)C2 ZINC001007482399 1212503717 /nfs/dbraw/zinc/50/37/17/1212503717.db2.gz HQJQBALWQRRKGL-KXBFYZLASA-N 2 0 359.474 0.935 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)CC[N@@H+]1C ZINC001008209273 1212660360 /nfs/dbraw/zinc/66/03/60/1212660360.db2.gz SPMQJBWJVNSDFN-BZUAXINKSA-N 2 0 362.518 0.776 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000089925284 1213053979 /nfs/dbraw/zinc/05/39/79/1213053979.db2.gz ZFDFJMOEWKIKGF-GOSISDBHSA-N 2 0 363.506 0.766 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954508894 1213080450 /nfs/dbraw/zinc/08/04/50/1213080450.db2.gz DISSDWAMLWLYRL-JFIYKMOQSA-N 2 0 364.534 0.974 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659863 1225423099 /nfs/dbraw/zinc/42/30/99/1225423099.db2.gz ZZTNYERUIWQNFL-BPQIPLTHSA-N 2 0 362.474 0.448 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000641806042 1213216096 /nfs/dbraw/zinc/21/60/96/1213216096.db2.gz BCSWVIXHGOAVSF-KZNAEPCWSA-N 2 0 367.538 0.565 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799306 1213216228 /nfs/dbraw/zinc/21/62/28/1213216228.db2.gz TXPARWNYYWLVDR-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000957591716 1213329657 /nfs/dbraw/zinc/32/96/57/1213329657.db2.gz RJCXPKOMROCVAA-HZPDHXFCSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)[C@H]1CCNC1=O ZINC000957726606 1213352428 /nfs/dbraw/zinc/35/24/28/1213352428.db2.gz WAAHGMAHZHHKKR-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000958169483 1213386813 /nfs/dbraw/zinc/38/68/13/1213386813.db2.gz RFVQLYGWSYCCPX-IAGOWNOFSA-N 2 0 362.518 0.777 20 0 FCADRP COCCC[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276315691 1213403324 /nfs/dbraw/zinc/40/33/24/1213403324.db2.gz MMERBADDUXSSIO-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959978137 1213569846 /nfs/dbraw/zinc/56/98/46/1213569846.db2.gz ZCJVXQAQDPZJBK-FUEZWAHWSA-N 2 0 356.470 0.672 20 0 FCADRP Cc1noc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC000960377876 1213732792 /nfs/dbraw/zinc/73/27/92/1213732792.db2.gz WTEFVYVOBCBCBI-MAKQCAJESA-N 2 0 356.430 0.884 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)CC[N@@H+]1C ZINC001010588528 1213802766 /nfs/dbraw/zinc/80/27/66/1213802766.db2.gz UMLBTCFZXPPDES-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@@H+]1C ZINC001010666805 1213806870 /nfs/dbraw/zinc/80/68/70/1213806870.db2.gz JLCMQEAFJSLXLE-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787403 1225481491 /nfs/dbraw/zinc/48/14/91/1225481491.db2.gz QMPLCHVPHOWMDT-GUDVDZBRSA-N 2 0 367.534 0.894 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001221791325 1225482185 /nfs/dbraw/zinc/48/21/85/1225482185.db2.gz GDQITUAFZGMSPR-SOLBZPMBSA-N 2 0 369.506 0.027 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@@H+]1C ZINC001011210722 1213850959 /nfs/dbraw/zinc/85/09/59/1213850959.db2.gz LITSYFIELCRDPT-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418864458 1213867105 /nfs/dbraw/zinc/86/71/05/1213867105.db2.gz QTQXYBVHPXJLKJ-YLJYHZDGSA-N 2 0 356.470 0.732 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)[C@@H](c2ccccc2)C1 ZINC001016839350 1214051312 /nfs/dbraw/zinc/05/13/12/1214051312.db2.gz BVAIEQKNIDQARF-FGTMMUONSA-N 2 0 370.497 0.788 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001017489874 1214103705 /nfs/dbraw/zinc/10/37/05/1214103705.db2.gz HJTOBRREJRSOJT-JOCBIADPSA-N 2 0 362.518 0.942 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)CC[N@@H+]1C ZINC001018878998 1214167990 /nfs/dbraw/zinc/16/79/90/1214167990.db2.gz BMJGPMIHRPWUOO-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961665533 1214261321 /nfs/dbraw/zinc/26/13/21/1214261321.db2.gz WSGAVGHDTYLUCL-RZFLPCETSA-N 2 0 362.518 0.728 20 0 FCADRP CC(C)n1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000961987764 1214393292 /nfs/dbraw/zinc/39/32/92/1214393292.db2.gz DZCUKAWNIVQXLI-PRLABOORSA-N 2 0 364.494 0.563 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CC(=O)NCC3CCC3)C[C@H]21 ZINC001221946892 1225547037 /nfs/dbraw/zinc/54/70/37/1225547037.db2.gz HUMNRYSKDLFYMV-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP c1c(CN2CCOC[C@]3(C[NH2+]CCO3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222191529 1225610081 /nfs/dbraw/zinc/61/00/81/1225610081.db2.gz MTNJWZQQNPQYOI-FQEVSTJZSA-N 2 0 356.470 0.935 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC001222646449 1225642724 /nfs/dbraw/zinc/64/27/24/1225642724.db2.gz AXIVHWYMQUOJQC-IRXDYDNUSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC001000351045 1216041025 /nfs/dbraw/zinc/04/10/25/1216041025.db2.gz BXSVUYXKSXVSST-QRQLOZEOSA-N 2 0 370.497 0.611 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CCN(CC(=O)NCC3CC3)[C@H]2C1)C1CCC1 ZINC001222898004 1225664116 /nfs/dbraw/zinc/66/41/16/1225664116.db2.gz QVDGKPVZUBZROL-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CC[NH+](CCO)CC3)CC1 ZINC001050523025 1216330264 /nfs/dbraw/zinc/33/02/64/1216330264.db2.gz NRFVOWCZPJMTLL-MSOLQXFVSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524588 1216330748 /nfs/dbraw/zinc/33/07/48/1216330748.db2.gz HAEDTXMPWSWQGX-BFYDXBDKSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)CC[N@@H+]1C ZINC001050525442 1216331724 /nfs/dbraw/zinc/33/17/24/1216331724.db2.gz XLEXBLFGKRXKQM-RBSFLKMASA-N 2 0 362.474 0.056 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCOCCNC(C)=O)[C@H]2C1)[NH+](C)C ZINC001222959176 1225670054 /nfs/dbraw/zinc/67/00/54/1225670054.db2.gz OKDLIQSPWLLIDL-KURKYZTESA-N 2 0 368.522 0.402 20 0 FCADRP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623890 1216468838 /nfs/dbraw/zinc/46/88/38/1216468838.db2.gz KGOXMRAVSKKCJJ-DJIMGWMZSA-N 2 0 362.474 0.747 20 0 FCADRP COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625287 1216469171 /nfs/dbraw/zinc/46/91/71/1216469171.db2.gz YLHUMRZCZAIQCC-VNQPRFMTSA-N 2 0 363.462 0.142 20 0 FCADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625272 1216470535 /nfs/dbraw/zinc/47/05/35/1216470535.db2.gz YFEWCTJNUISRIX-HYVNUMGLSA-N 2 0 362.474 0.747 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001052395081 1216548207 /nfs/dbraw/zinc/54/82/07/1216548207.db2.gz KKFNXWLKYRUZPF-YESZJQIVSA-N 2 0 365.522 0.713 20 0 FCADRP CC1(C)CN(C/C=C/CN2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682035595 1216656357 /nfs/dbraw/zinc/65/63/57/1216656357.db2.gz NKRZZFZMERJAOE-AATRIKPKSA-N 2 0 368.566 0.320 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCO2 ZINC001068401822 1216731333 /nfs/dbraw/zinc/73/13/33/1216731333.db2.gz TWERLMKPMNMFGU-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP CCOCC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C[C@H]2C(=O)OCC ZINC001276874011 1225692076 /nfs/dbraw/zinc/69/20/76/1225692076.db2.gz BJTYZJXRKRZZST-INIZCTEOSA-N 2 0 369.506 0.688 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928997 1216848707 /nfs/dbraw/zinc/84/87/07/1216848707.db2.gz PQVMWRMLBCLZSU-KSZLIROESA-N 2 0 358.490 0.762 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)C12CCC[NH+](CCC1)C2 ZINC001069955705 1216865881 /nfs/dbraw/zinc/86/58/81/1216865881.db2.gz JCMNOIRCHMJEAQ-CVEARBPZSA-N 2 0 364.469 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCOCC2)CC[N@@H+]1C ZINC001070042123 1216918064 /nfs/dbraw/zinc/91/80/64/1216918064.db2.gz XPVUVPDCKNBNNI-OAGGEKHMSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001041294525 1217270442 /nfs/dbraw/zinc/27/04/42/1217270442.db2.gz RKOHLELOFQYVJK-WSTZPKSXSA-N 2 0 365.518 0.650 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916256 1225745775 /nfs/dbraw/zinc/74/57/75/1225745775.db2.gz CZAMLCDUPQLMJF-JZXOWHBKSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001043262041 1217617879 /nfs/dbraw/zinc/61/78/79/1217617879.db2.gz AGYNHFCMAHTFBW-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP CCOCCNC(=O)CN1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130027 1225758346 /nfs/dbraw/zinc/75/83/46/1225758346.db2.gz LQHWJTMQKYYGGA-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21)N1CCC1 ZINC001224298558 1225771363 /nfs/dbraw/zinc/77/13/63/1225771363.db2.gz YPGNBNSDFYBOOX-SJORKVTESA-N 2 0 359.474 0.818 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001045672885 1217947006 /nfs/dbraw/zinc/94/70/06/1217947006.db2.gz WEBGKJHVOCDEBO-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000901178390 1218088239 /nfs/dbraw/zinc/08/82/39/1218088239.db2.gz WVZJDRWGOSNOEC-JYJNAYRXSA-N 2 0 366.510 0.374 20 0 FCADRP Cc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1 ZINC001096259061 1218196500 /nfs/dbraw/zinc/19/65/00/1218196500.db2.gz OPLIJYMOJHWNDU-IAGOWNOFSA-N 2 0 360.506 0.754 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096351013 1218260131 /nfs/dbraw/zinc/26/01/31/1218260131.db2.gz XGCRAVIJLUJBTI-WCVJEAGWSA-N 2 0 362.474 0.199 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000803564423 1218436901 /nfs/dbraw/zinc/43/69/01/1218436901.db2.gz MAROCLHOAKDLJL-BRWVUGGUSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757138 1218516517 /nfs/dbraw/zinc/51/65/17/1218516517.db2.gz YIZCXVRKFSQMJG-RKVPGOIHSA-N 2 0 357.462 0.403 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)n1 ZINC001097095898 1218687809 /nfs/dbraw/zinc/68/78/09/1218687809.db2.gz YURSSBGWBGLXDL-OIISXLGYSA-N 2 0 372.477 0.072 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC001226347672 1225841062 /nfs/dbraw/zinc/84/10/62/1225841062.db2.gz AMINTGLILGMGAR-FVQBIDKESA-N 2 0 361.490 0.913 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001097551095 1218820781 /nfs/dbraw/zinc/82/07/81/1218820781.db2.gz XSFUWVMHTBTUGE-OIISXLGYSA-N 2 0 368.441 0.695 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831951 1225855595 /nfs/dbraw/zinc/85/55/95/1225855595.db2.gz WDXPHPXMFHTORF-QZTJIDSGSA-N 2 0 368.522 0.640 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055358869 1219033539 /nfs/dbraw/zinc/03/35/39/1219033539.db2.gz PYNJOAVBDUHFHE-XWTMOSNGSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001227065611 1225862998 /nfs/dbraw/zinc/86/29/98/1225862998.db2.gz JFAGYPUJNLSWGN-BZUAXINKSA-N 2 0 368.522 0.626 20 0 FCADRP CO[C@H](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583400 1219088027 /nfs/dbraw/zinc/08/80/27/1219088027.db2.gz MHZLMUKCGGJYET-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3(CF)CC3)CC2)CC[N@@H+]1C ZINC001055583566 1219088329 /nfs/dbraw/zinc/08/83/29/1219088329.db2.gz SGLDJRWSTGZYBK-GDBMZVCRSA-N 2 0 368.497 0.773 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)Cc2cncn2C)CC1 ZINC001055602018 1219096210 /nfs/dbraw/zinc/09/62/10/1219096210.db2.gz LWNJOLZMCBWSGS-RHSMWYFYSA-N 2 0 361.490 0.706 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055610757 1219097998 /nfs/dbraw/zinc/09/79/98/1219097998.db2.gz VHEPPZBGEXSEPG-RZQQEMMASA-N 2 0 362.518 0.825 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055610605 1219098173 /nfs/dbraw/zinc/09/81/73/1219098173.db2.gz OEZVZZBIKMSCTM-WRWLIDTKSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000804063079 1219117916 /nfs/dbraw/zinc/11/79/16/1219117916.db2.gz PBMAENNTNJHEJX-GVDBMIGSSA-N 2 0 364.490 0.099 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804062555 1219118139 /nfs/dbraw/zinc/11/81/39/1219118139.db2.gz ICARZSLAICBOHE-SJORKVTESA-N 2 0 366.506 0.300 20 0 FCADRP CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070132760 1219206890 /nfs/dbraw/zinc/20/68/90/1219206890.db2.gz RHUSFRYUSISLNB-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070157813 1219243555 /nfs/dbraw/zinc/24/35/55/1219243555.db2.gz LPAYHGPMZUDSPW-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070158597 1219245968 /nfs/dbraw/zinc/24/59/68/1219245968.db2.gz RFSQOTNIKONGDD-ZACQAIPSSA-N 2 0 362.478 0.140 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070194641 1219286398 /nfs/dbraw/zinc/28/63/98/1219286398.db2.gz GLAPEPFMAONDGT-KURKYZTESA-N 2 0 358.490 0.762 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217456 1219299561 /nfs/dbraw/zinc/29/95/61/1219299561.db2.gz FVEZDAPZKPLOES-KURKYZTESA-N 2 0 371.489 0.863 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070328326 1219378983 /nfs/dbraw/zinc/37/89/83/1219378983.db2.gz XCLXRPKQOKYMKJ-ZACQAIPSSA-N 2 0 362.478 0.285 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070475137 1219425370 /nfs/dbraw/zinc/42/53/70/1219425370.db2.gz GCQFMWCSCQOWQW-JQHSSLGASA-N 2 0 371.489 0.332 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070475347 1219426160 /nfs/dbraw/zinc/42/61/60/1219426160.db2.gz OMUPXDOCTYWABR-JQHSSLGASA-N 2 0 371.489 0.332 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1cn(C)cn1 ZINC001070545195 1219461430 /nfs/dbraw/zinc/46/14/30/1219461430.db2.gz HOFWHBQTWJNJIO-DOTOQJQBSA-N 2 0 359.478 0.396 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070548986 1219463898 /nfs/dbraw/zinc/46/38/98/1219463898.db2.gz DRBBNGHRYFCWDG-SOLBZPMBSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070563751 1219470948 /nfs/dbraw/zinc/47/09/48/1219470948.db2.gz KGPAWMHZWJAEHM-HHXXYDBFSA-N 2 0 368.485 0.851 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070565367 1219472164 /nfs/dbraw/zinc/47/21/64/1219472164.db2.gz RQFMRDFNOLPRIF-PKOBYXMFSA-N 2 0 368.485 0.995 20 0 FCADRP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923752 1219581390 /nfs/dbraw/zinc/58/13/90/1219581390.db2.gz BLWHHQSWMFOARO-BBWFWOEESA-N 2 0 364.490 0.988 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001070964668 1219584172 /nfs/dbraw/zinc/58/41/72/1219584172.db2.gz UGEFAGIJZNIPQT-BRWVUGGUSA-N 2 0 366.506 0.014 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001071016672 1219589759 /nfs/dbraw/zinc/58/97/59/1219589759.db2.gz RVTRUNDVGTXLJL-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001071104234 1219607867 /nfs/dbraw/zinc/60/78/67/1219607867.db2.gz NEGVAWHCEVDYPE-JZXOWHBKSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000725799192 1219618051 /nfs/dbraw/zinc/61/80/51/1219618051.db2.gz IUHKBSCIWUPRDU-UHFFFAOYSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](O)Cn2cccn2)C3)CC[N@@H+]1C ZINC001072752458 1219621497 /nfs/dbraw/zinc/62/14/97/1219621497.db2.gz LCKKNUDPEVPHDL-BRWVUGGUSA-N 2 0 361.490 0.119 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(=O)NC2CC2)C3)CC[N@@H+]1C ZINC001072754935 1219621720 /nfs/dbraw/zinc/62/17/20/1219621720.db2.gz LBLZJVPWABYTLX-BHYGNILZSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005746 1219631988 /nfs/dbraw/zinc/63/19/88/1219631988.db2.gz CKYLNDVFFDAXAB-JQHSSLGASA-N 2 0 370.497 0.740 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCc3cnn(C)c3)CCCO2)CC[N@@H+]1C ZINC001073611271 1219672825 /nfs/dbraw/zinc/67/28/25/1219672825.db2.gz SCHAQCAMZFITCY-KBAYOESNSA-N 2 0 363.506 0.510 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001228342351 1225912447 /nfs/dbraw/zinc/91/24/47/1225912447.db2.gz YXEWGWWNIDZAQM-RCCFBDPRSA-N 2 0 363.506 0.603 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074604837 1219702681 /nfs/dbraw/zinc/70/26/81/1219702681.db2.gz SFWVWSBVRWHDJO-HZPDHXFCSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001098761427 1219822097 /nfs/dbraw/zinc/82/20/97/1219822097.db2.gz QZQISNZQAJOWJC-SCTDSRPQSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099029643 1219892498 /nfs/dbraw/zinc/89/24/98/1219892498.db2.gz HDSAFFZJHUJUSF-GJYPPUQNSA-N 2 0 363.506 0.324 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001099026519 1219892807 /nfs/dbraw/zinc/89/28/07/1219892807.db2.gz DBFXSOXZLIOGIE-GJYPPUQNSA-N 2 0 363.506 0.467 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160854 1219936224 /nfs/dbraw/zinc/93/62/24/1219936224.db2.gz URMSBZVLJREEKQ-AOIWGVFYSA-N 2 0 360.506 0.817 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](CC)CC ZINC001228558925 1225933197 /nfs/dbraw/zinc/93/31/97/1225933197.db2.gz IFZMGEGEEBBMRK-KFWWJZLASA-N 2 0 366.510 0.746 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001099446074 1219998755 /nfs/dbraw/zinc/99/87/55/1219998755.db2.gz JBJCNOOVTOOGOE-WDYCEAGBSA-N 2 0 360.506 0.874 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001099447632 1219999859 /nfs/dbraw/zinc/99/98/59/1219999859.db2.gz JKGGTVIAAJEYPT-YOEHRIQHSA-N 2 0 361.494 0.413 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228602085 1225935386 /nfs/dbraw/zinc/93/53/86/1225935386.db2.gz CGTNCSSCSRYKJR-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001228646405 1225940422 /nfs/dbraw/zinc/94/04/22/1225940422.db2.gz FSTIPSPKCMTEEA-QZTJIDSGSA-N 2 0 360.502 0.924 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286429 1220267881 /nfs/dbraw/zinc/26/78/81/1220267881.db2.gz XJAVYEBHJMQMQN-KHYOSLBOSA-N 2 0 359.474 0.562 20 0 FCADRP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317022 1220284327 /nfs/dbraw/zinc/28/43/27/1220284327.db2.gz CQTZWZXCSCLIIB-BEFAXECRSA-N 2 0 361.490 0.968 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001101340322 1220293807 /nfs/dbraw/zinc/29/38/07/1220293807.db2.gz IKGICSFNLCCSQE-MDZRGWNJSA-N 2 0 365.474 0.742 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342707 1220295500 /nfs/dbraw/zinc/29/55/00/1220295500.db2.gz JDUAKQPGJOUVOZ-MDZRGWNJSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC1 ZINC001101348638 1220296464 /nfs/dbraw/zinc/29/64/64/1220296464.db2.gz BPXGKRLBNJTOMA-XLIONFOSSA-N 2 0 362.518 0.635 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401296 1220323723 /nfs/dbraw/zinc/32/37/23/1220323723.db2.gz RSSZCKWHOVYUAT-AOIWGVFYSA-N 2 0 363.506 0.366 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101399961 1220324107 /nfs/dbraw/zinc/32/41/07/1220324107.db2.gz AHDUMSVVHYSDBE-BEFAXECRSA-N 2 0 364.490 0.258 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432331 1220341700 /nfs/dbraw/zinc/34/17/00/1220341700.db2.gz MMJGJAUYFYBZJT-KUHUBIRLSA-N 2 0 359.474 0.678 20 0 FCADRP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432647 1220342829 /nfs/dbraw/zinc/34/28/29/1220342829.db2.gz WTTXTRFRKMXNJT-MDZRGWNJSA-N 2 0 361.490 0.896 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101444016 1220348163 /nfs/dbraw/zinc/34/81/63/1220348163.db2.gz UEJGFTQPBFXQRB-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001101474290 1220366811 /nfs/dbraw/zinc/36/68/11/1220366811.db2.gz RJFLPZWOUGTYDH-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228932745 1225964653 /nfs/dbraw/zinc/96/46/53/1225964653.db2.gz UKQIALXLGOLYKS-HUUCEWRRSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101975760 1220449920 /nfs/dbraw/zinc/44/99/20/1220449920.db2.gz BQLFMHBAKNLETC-ZTFGCOKTSA-N 2 0 362.518 0.539 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013328 1220461925 /nfs/dbraw/zinc/46/19/25/1220461925.db2.gz VRUVYNCBIBZORA-BRWVUGGUSA-N 2 0 370.513 0.973 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048901 1220477011 /nfs/dbraw/zinc/47/70/11/1220477011.db2.gz TZSGZOPPOAFEIZ-SIIHOXLZSA-N 2 0 364.490 0.160 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047760 1220477474 /nfs/dbraw/zinc/47/74/74/1220477474.db2.gz RZTNETMJZYQOGW-BJZITVGISA-N 2 0 360.502 0.910 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085795 1220490861 /nfs/dbraw/zinc/49/08/61/1220490861.db2.gz BIQDSKVHCJPWMC-OWCLPIDISA-N 2 0 368.522 0.163 20 0 FCADRP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1)C1CC1 ZINC001102290651 1220575502 /nfs/dbraw/zinc/57/55/02/1220575502.db2.gz ORQZELHSVNETGA-BFYDXBDKSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320459 1220582273 /nfs/dbraw/zinc/58/22/73/1220582273.db2.gz DFGYZKSKUMURRU-HUUCEWRRSA-N 2 0 362.474 0.967 20 0 FCADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312723 1220583389 /nfs/dbraw/zinc/58/33/89/1220583389.db2.gz KGQGDCZOSXNNGW-KBAYOESNSA-N 2 0 371.522 0.036 20 0 FCADRP COc1ccnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102511376 1220670151 /nfs/dbraw/zinc/67/01/51/1220670151.db2.gz UVOFEYYIKAORGO-HZPDHXFCSA-N 2 0 364.490 0.853 20 0 FCADRP CCC(CC)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513857 1220672604 /nfs/dbraw/zinc/67/26/04/1220672604.db2.gz CZAJZQVVPCVXSK-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579974 1220701731 /nfs/dbraw/zinc/70/17/31/1220701731.db2.gz ZTYGEJSQELNDLZ-ZACQAIPSSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596766 1220718471 /nfs/dbraw/zinc/71/84/71/1220718471.db2.gz XCRWQLIBUVNGFU-BZUAXINKSA-N 2 0 364.490 0.352 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601035 1220723224 /nfs/dbraw/zinc/72/32/24/1220723224.db2.gz HKDQRNCFEFNSQS-IXDOHACOSA-N 2 0 370.538 0.552 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001229231241 1225990749 /nfs/dbraw/zinc/99/07/49/1225990749.db2.gz OIWYNOOLUSAEGG-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103614173 1220913736 /nfs/dbraw/zinc/91/37/36/1220913736.db2.gz HPPRYPQWRCBWLS-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647195 1220927291 /nfs/dbraw/zinc/92/72/91/1220927291.db2.gz YZVOTDKKBLKZEJ-OWCLPIDISA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646905 1220927483 /nfs/dbraw/zinc/92/74/83/1220927483.db2.gz LVVLOHDJYOJCNI-IAGOWNOFSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721251 1220952510 /nfs/dbraw/zinc/95/25/10/1220952510.db2.gz JLGDHCPKHBDGPL-BZUAXINKSA-N 2 0 364.490 0.161 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103724627 1220953489 /nfs/dbraw/zinc/95/34/89/1220953489.db2.gz MSXDALHULQPIHC-KZNAEPCWSA-N 2 0 371.522 0.038 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755333 1220965111 /nfs/dbraw/zinc/96/51/11/1220965111.db2.gz CNMSTFBVWMXLJW-SJLPKXTDSA-N 2 0 370.538 0.554 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229502879 1226014952 /nfs/dbraw/zinc/01/49/52/1226014952.db2.gz AQGKHTZULCEJKI-HUUCEWRRSA-N 2 0 369.510 0.581 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2)[NH+](C)C ZINC001111789064 1221110100 /nfs/dbraw/zinc/11/01/00/1221110100.db2.gz VWPFSIAXLJPHIK-KHYOSLBOSA-N 2 0 364.490 0.446 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCNC(=O)C2CC2)C3)CC1 ZINC001111855658 1221137409 /nfs/dbraw/zinc/13/74/09/1221137409.db2.gz GVRRPRCGWOHGEQ-JXFKEZNVSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111870888 1221144230 /nfs/dbraw/zinc/14/42/30/1221144230.db2.gz QYQKVPFHPWUNCY-SYNHAJSKSA-N 2 0 362.518 0.968 20 0 FCADRP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939654 1221179899 /nfs/dbraw/zinc/17/98/99/1221179899.db2.gz KYZHYGNBGUZVNG-LPHOPBHVSA-N 2 0 361.490 0.834 20 0 FCADRP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001112021244 1221202691 /nfs/dbraw/zinc/20/26/91/1221202691.db2.gz BMCSTWRZJXCOEG-BXWFABGCSA-N 2 0 359.474 0.913 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CC1 ZINC001112399322 1221252435 /nfs/dbraw/zinc/25/24/35/1221252435.db2.gz NIUPOYHVGQTKRP-SCTDSRPQSA-N 2 0 360.506 0.837 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001112399235 1221252561 /nfs/dbraw/zinc/25/25/61/1221252561.db2.gz IWBUKIKXSJHYMN-QSFXBCCZSA-N 2 0 362.518 0.824 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229710526 1226029623 /nfs/dbraw/zinc/02/96/23/1226029623.db2.gz PZILYXJRUQXCAQ-IAGOWNOFSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717802 1226030687 /nfs/dbraw/zinc/03/06/87/1226030687.db2.gz YBEAJWXKZRWASY-HZPDHXFCSA-N 2 0 371.526 0.289 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229808224 1226035576 /nfs/dbraw/zinc/03/55/76/1226035576.db2.gz PNLHBLFIBASXGJ-HZPDHXFCSA-N 2 0 366.506 0.884 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116791771 1221391040 /nfs/dbraw/zinc/39/10/40/1221391040.db2.gz SEDZJEPTIBWMSO-KRWDZBQOSA-N 2 0 370.457 0.940 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001116996054 1221423834 /nfs/dbraw/zinc/42/38/34/1221423834.db2.gz ACGGZWRDIKNGKP-UHFFFAOYSA-N 2 0 359.474 0.721 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001117359111 1221530522 /nfs/dbraw/zinc/53/05/22/1221530522.db2.gz GKGUAKLXABDKEN-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001230138127 1226057038 /nfs/dbraw/zinc/05/70/38/1226057038.db2.gz GYAVCBMUGBHQRR-DJIMGWMZSA-N 2 0 366.506 0.250 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001118035199 1221691596 /nfs/dbraw/zinc/69/15/96/1221691596.db2.gz PKKSNECUNJONSA-MHORFTMASA-N 2 0 358.486 0.929 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118571481 1221801793 /nfs/dbraw/zinc/80/17/93/1221801793.db2.gz DMBBYFGARBLQGZ-CVEARBPZSA-N 2 0 362.478 0.576 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1ccnc1)C(=O)NC(N)=O ZINC001230338273 1226074349 /nfs/dbraw/zinc/07/43/49/1226074349.db2.gz DFARQXALCKHBMS-MGPQQGTHSA-N 2 0 364.450 0.264 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001119296124 1221898024 /nfs/dbraw/zinc/89/80/24/1221898024.db2.gz MLVDNFOAQBVKBV-AZUAARDMSA-N 2 0 360.502 0.817 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC001119372131 1221909132 /nfs/dbraw/zinc/90/91/32/1221909132.db2.gz ZXQJILOQXIYXKS-GOSISDBHSA-N 2 0 370.457 0.998 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001119425634 1221915790 /nfs/dbraw/zinc/91/57/90/1221915790.db2.gz ZVEQNIJHMYCIQK-AEFFLSMTSA-N 2 0 367.538 0.552 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001119427443 1221916689 /nfs/dbraw/zinc/91/66/89/1221916689.db2.gz PUPSIGGGGBSAOA-KSZLIROESA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001119610933 1221940339 /nfs/dbraw/zinc/94/03/39/1221940339.db2.gz KKUKIBDPRJBABX-GJZGRUSLSA-N 2 0 359.474 0.752 20 0 FCADRP CCOC(CNC(=O)C1CC[NH+](C)CC1)CNC(=O)C1CC[NH+](C)CC1 ZINC001119624726 1221941180 /nfs/dbraw/zinc/94/11/80/1221941180.db2.gz PRWYXLYHTJMCER-UHFFFAOYSA-N 2 0 368.522 0.308 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](CCO)Cc1cccnc1 ZINC001230848956 1226089601 /nfs/dbraw/zinc/08/96/01/1226089601.db2.gz DBSQOMGFOBAJPP-IAGOWNOFSA-N 2 0 357.458 0.919 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001120394910 1222077156 /nfs/dbraw/zinc/07/71/56/1222077156.db2.gz TYOBEKVQSDZLOI-CQSZACIVSA-N 2 0 360.458 0.701 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001120558749 1222104750 /nfs/dbraw/zinc/10/47/50/1222104750.db2.gz WYDLRTIEQPLXCT-HXUWFJFHSA-N 2 0 357.502 0.987 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001120626534 1222109739 /nfs/dbraw/zinc/10/97/39/1222109739.db2.gz RJGQAWJXMUIJCA-QFBILLFUSA-N 2 0 359.474 0.447 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C[NH3+])C1 ZINC001120674315 1222113792 /nfs/dbraw/zinc/11/37/92/1222113792.db2.gz IAUQVQMVTKGPOJ-ZSZQSSIHSA-N 2 0 359.474 0.527 20 0 FCADRP CC1CC[NH+](CC(=O)NC[C@@H](C[NH3+])NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001122136562 1222242902 /nfs/dbraw/zinc/24/29/02/1222242902.db2.gz MWMFOUCFLBISHV-QGZVFWFLSA-N 3 0 367.538 0.010 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123632001 1222345029 /nfs/dbraw/zinc/34/50/29/1222345029.db2.gz XBVJODOCLNJBNR-DZOHQFGASA-N 2 0 367.538 0.298 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636308 1222345996 /nfs/dbraw/zinc/34/59/96/1222345996.db2.gz KLRQYCZSKVEQEU-XLIONFOSSA-N 2 0 371.529 0.935 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(CN3C(=O)[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3=O)C[C@@H]21 ZINC000840129379 1222772849 /nfs/dbraw/zinc/77/28/49/1222772849.db2.gz BSZSPDWIEMPNBO-YRXWBPOGSA-N 2 0 368.481 0.697 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841144540 1222809871 /nfs/dbraw/zinc/80/98/71/1222809871.db2.gz APCUPBAXZSPZKT-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841144434 1222810017 /nfs/dbraw/zinc/81/00/17/1222810017.db2.gz ZSBFGPFZTXDSEE-OAHLLOKOSA-N 2 0 359.474 0.717 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151153 1222810218 /nfs/dbraw/zinc/81/02/18/1222810218.db2.gz HZAOXNZULUHLPJ-INIZCTEOSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC[NH2+]1 ZINC000841172909 1222811784 /nfs/dbraw/zinc/81/17/84/1222811784.db2.gz DHAJHAPMXRTJJN-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841190042 1222812891 /nfs/dbraw/zinc/81/28/91/1222812891.db2.gz LUAHULYOYLXTFB-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000841214454 1222814189 /nfs/dbraw/zinc/81/41/89/1222814189.db2.gz KXPPPEMBUMVITO-HXUWFJFHSA-N 2 0 371.485 0.589 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000841226031 1222814783 /nfs/dbraw/zinc/81/47/83/1222814783.db2.gz OHJBDMROOZXOCP-HUUCEWRRSA-N 2 0 359.474 0.763 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000841232374 1222815488 /nfs/dbraw/zinc/81/54/88/1222815488.db2.gz ZQJCYULMQQDXRD-IYBDPMFKSA-N 2 0 371.485 0.445 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000841233805 1222815585 /nfs/dbraw/zinc/81/55/85/1222815585.db2.gz HTABJCMNLUXYCV-FQEVSTJZSA-N 2 0 373.501 0.964 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1C[NH2+]C1 ZINC000841246192 1222816261 /nfs/dbraw/zinc/81/62/61/1222816261.db2.gz UYRGMYVWMFDXMT-UHFFFAOYSA-N 2 0 373.501 0.833 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000842147867 1222837415 /nfs/dbraw/zinc/83/74/15/1222837415.db2.gz MSVLZZGPMGQYDD-DLBZAZTESA-N 2 0 366.506 0.347 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000843243335 1222862082 /nfs/dbraw/zinc/86/20/82/1222862082.db2.gz ASZAKFSHHTYRGT-IXDOHACOSA-N 2 0 368.522 0.354 20 0 FCADRP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000843265398 1222868607 /nfs/dbraw/zinc/86/86/07/1222868607.db2.gz GAJNBRPWJXSISC-KRWDZBQOSA-N 2 0 367.538 0.249 20 0 FCADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000843363483 1222873701 /nfs/dbraw/zinc/87/37/01/1222873701.db2.gz MGGJMHXGZHKHAK-UHFFFAOYSA-N 2 0 360.458 0.640 20 0 FCADRP C[NH+]1CCC(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)CC1 ZINC001143307103 1222877064 /nfs/dbraw/zinc/87/70/64/1222877064.db2.gz QJEXTKJNWWAKMI-UHFFFAOYSA-N 2 0 356.430 0.985 20 0 FCADRP [NH3+]C1(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000843501805 1222878967 /nfs/dbraw/zinc/87/89/67/1222878967.db2.gz QUFPMWJYRLXASW-GOSISDBHSA-N 3 0 360.502 0.865 20 0 FCADRP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001152645924 1222953333 /nfs/dbraw/zinc/95/33/33/1222953333.db2.gz SYACAGCVSSVKQK-PMACEKPBSA-N 2 0 361.486 0.539 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nccc4c3NC(=O)CO4)C[C@H]1C2 ZINC001154632882 1223013844 /nfs/dbraw/zinc/01/38/44/1223013844.db2.gz OPBVDUIAMLYQIJ-FLMCSSBNSA-N 2 0 358.398 0.247 20 0 FCADRP CCc1cc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001155378359 1223033689 /nfs/dbraw/zinc/03/36/89/1223033689.db2.gz YBSHDVULCXLLDD-KRWDZBQOSA-N 3 0 360.506 0.735 20 0 FCADRP CN1CCN(c2nccc(N(Cc3ccccc3)C3(C[NH3+])COC3)n2)CC1 ZINC001156636054 1223060372 /nfs/dbraw/zinc/06/03/72/1223060372.db2.gz NZDKKVLUJGQOIO-UHFFFAOYSA-N 2 0 368.485 0.963 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC001157323308 1223074004 /nfs/dbraw/zinc/07/40/04/1223074004.db2.gz GLHKLGUWDFMICH-KBPBESRZSA-N 2 0 374.407 0.935 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])Cc1cccc(O)c1)C(=O)N1CCCC1 ZINC001157370665 1223074790 /nfs/dbraw/zinc/07/47/90/1223074790.db2.gz FOKACXQZGWNXJL-SJORKVTESA-N 2 0 362.474 0.498 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)C(=O)N1CCCC1 ZINC001157370654 1223074905 /nfs/dbraw/zinc/07/49/05/1223074905.db2.gz FLVROLDYYQFBBS-NCOADZHNSA-N 2 0 366.506 0.237 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1F)C(=O)N1CCCC1 ZINC001157371080 1223075625 /nfs/dbraw/zinc/07/56/25/1223075625.db2.gz OCQNDNGZUUPKAU-SJORKVTESA-N 2 0 364.465 0.932 20 0 FCADRP N[C@@H](C[NH3+])c1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)cc1 ZINC001157398624 1223076112 /nfs/dbraw/zinc/07/61/12/1223076112.db2.gz ILVPJVBBAMTVEU-IRXDYDNUSA-N 2 0 361.490 0.495 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001157449087 1223076845 /nfs/dbraw/zinc/07/68/45/1223076845.db2.gz RDMOCQBVYJUVSP-BEFAXECRSA-N 2 0 367.490 0.808 20 0 FCADRP Cc1ccc([C@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720605 1223080995 /nfs/dbraw/zinc/08/09/95/1223080995.db2.gz MKGNONXEBJUMMV-RTBURBONSA-N 2 0 360.502 0.906 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001157720627 1223081073 /nfs/dbraw/zinc/08/10/73/1223081073.db2.gz NBJMZRSNKXFYEU-KRWDZBQOSA-N 2 0 360.458 0.310 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC001157809955 1223082122 /nfs/dbraw/zinc/08/21/22/1223082122.db2.gz HYKHOJDERLQJCC-UBDQQSCGSA-N 2 0 358.486 0.662 20 0 FCADRP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091890 1223088630 /nfs/dbraw/zinc/08/86/30/1223088630.db2.gz JHIWUVMOEKYZTK-CJNGLKHVSA-N 2 0 370.375 0.266 20 0 FCADRP O=C([C@@H]1CC2(CC[NH2+]CC2)c2ccccc21)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091913 1223088699 /nfs/dbraw/zinc/08/86/99/1223088699.db2.gz KAWCNSGKCHMNPO-IIBYNOLFSA-N 2 0 368.481 0.486 20 0 FCADRP [NH3+][C@@H](Cc1cccc2ccccc21)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102733 1223088921 /nfs/dbraw/zinc/08/89/21/1223088921.db2.gz WJEODXXEFZOWAT-FXAWDEMLSA-N 2 0 352.438 0.400 20 0 FCADRP [NH3+][C@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001158101619 1223089230 /nfs/dbraw/zinc/08/92/30/1223089230.db2.gz KIQVIUZRMAWEDU-CJNGLKHVSA-N 2 0 370.375 0.786 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1c1ccccc1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121438 1223089535 /nfs/dbraw/zinc/08/95/35/1223089535.db2.gz SVBNYENVRIKSFG-XGHQBKJUSA-N 2 0 368.481 0.318 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)c1 ZINC001158121472 1223089731 /nfs/dbraw/zinc/08/97/31/1223089731.db2.gz USIMRLMXPHKFAB-DNVCBOLYSA-N 2 0 358.442 0.023 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1c1ccccc1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121437 1223089760 /nfs/dbraw/zinc/08/97/60/1223089760.db2.gz SVBNYENVRIKSFG-FIKGOQFSSA-N 2 0 368.481 0.318 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162322 1223090325 /nfs/dbraw/zinc/09/03/25/1223090325.db2.gz XFURTHRIOVRCAI-YSSFQJQWSA-N 2 0 354.454 0.841 20 0 FCADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158168790 1223090358 /nfs/dbraw/zinc/09/03/58/1223090358.db2.gz OMRXDMOAQMDSQE-QFBILLFUSA-N 2 0 370.457 0.748 20 0 FCADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277762 1223093512 /nfs/dbraw/zinc/09/35/12/1223093512.db2.gz UPGSPJBONVMNAJ-INIZCTEOSA-N 2 0 352.442 0.414 20 0 FCADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281831 1223093551 /nfs/dbraw/zinc/09/35/51/1223093551.db2.gz DAACMRPXSQVFNM-AEFFLSMTSA-N 2 0 368.522 0.354 20 0 FCADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282923 1223094145 /nfs/dbraw/zinc/09/41/45/1223094145.db2.gz XCGOOCKVALKWOK-MSOLQXFVSA-N 2 0 371.522 0.492 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001158411556 1223096565 /nfs/dbraw/zinc/09/65/65/1223096565.db2.gz FMFSCKYZPNUUFG-RYQLBKOJSA-N 2 0 371.522 0.369 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001158413169 1223097458 /nfs/dbraw/zinc/09/74/58/1223097458.db2.gz WYJNPNGIWBOUGE-VHDGCEQUSA-N 2 0 367.494 0.189 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)C2 ZINC001158466909 1223099259 /nfs/dbraw/zinc/09/92/59/1223099259.db2.gz DEMSSODTUZGNDY-SGWZHLPASA-N 2 0 361.486 0.766 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC001158466947 1223099446 /nfs/dbraw/zinc/09/94/46/1223099446.db2.gz FDBAZNJWQDDMIP-GYVFZPLRSA-N 2 0 361.486 0.908 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1ccc(C)cc1C ZINC001158496562 1223099955 /nfs/dbraw/zinc/09/99/55/1223099955.db2.gz SMQCUFJUOGSGGE-XLAORIBOSA-N 2 0 359.470 0.925 20 0 FCADRP O=C([C@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532389 1223101756 /nfs/dbraw/zinc/10/17/56/1223101756.db2.gz BILSDHHFXUGRKU-AXHMDWHKSA-N 2 0 371.485 0.114 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544257 1223101956 /nfs/dbraw/zinc/10/19/56/1223101956.db2.gz CBUXDWMIXYIAJI-MUPNANLLSA-N 2 0 359.470 0.287 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158578985 1223103184 /nfs/dbraw/zinc/10/31/84/1223103184.db2.gz NNAPLLKAWDHXJW-JYJNAYRXSA-N 2 0 362.449 0.208 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661906 1223104844 /nfs/dbraw/zinc/10/48/44/1223104844.db2.gz ZKPAKFWNXPXEGR-ZDUSSCGKSA-N 3 0 373.461 0.490 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)CNC1CC[NH2+]CC1)CC2 ZINC001158697841 1223105437 /nfs/dbraw/zinc/10/54/37/1223105437.db2.gz IMTCWZVFXFFJOK-UHFFFAOYSA-N 2 0 362.522 0.752 20 0 FCADRP CCOC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)Cc2nn(CC3CC3)cc21 ZINC001158797882 1223109453 /nfs/dbraw/zinc/10/94/53/1223109453.db2.gz CTKRLOFOIBUHSC-DOTOQJQBSA-N 2 0 373.501 0.564 20 0 FCADRP CCOC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)Cc2nn(CC3CC3)cc21 ZINC001158797885 1223110130 /nfs/dbraw/zinc/11/01/30/1223110130.db2.gz CTKRLOFOIBUHSC-WBVHZDCISA-N 2 0 373.501 0.564 20 0 FCADRP Cn1ncc2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158842949 1223111077 /nfs/dbraw/zinc/11/10/77/1223111077.db2.gz PVSABTOGZQXOAX-CZUORRHYSA-N 2 0 358.446 0.386 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158905423 1223112033 /nfs/dbraw/zinc/11/20/33/1223112033.db2.gz XBIFWVIKABKSTA-HBUWYVDXSA-N 2 0 364.421 0.453 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935675 1223113606 /nfs/dbraw/zinc/11/36/06/1223113606.db2.gz YYTUKYNTDXWGFN-NUJGCVRESA-N 2 0 357.458 0.110 20 0 FCADRP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC3)cn1 ZINC001158991970 1223114417 /nfs/dbraw/zinc/11/44/17/1223114417.db2.gz RXXCPPVEDDFIPI-WBVHZDCISA-N 2 0 361.490 0.612 20 0 FCADRP Cn1nnc2c1CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])[C@@H]2COCC[NH+]1CCCC1 ZINC001159123593 1223117718 /nfs/dbraw/zinc/11/77/18/1223117718.db2.gz JUYWSSPFGZWBBO-OFQRWUPVSA-N 2 0 362.478 0.091 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135057 1223118374 /nfs/dbraw/zinc/11/83/74/1223118374.db2.gz RCNDRVRAXJIYQT-APWZRJJASA-N 2 0 359.474 0.631 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001159135762 1223118744 /nfs/dbraw/zinc/11/87/44/1223118744.db2.gz ZAQJOCUEIXKEDR-WBVHZDCISA-N 2 0 357.458 0.679 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159191380 1223120023 /nfs/dbraw/zinc/12/00/23/1223120023.db2.gz ULDYCNOGMGSKBW-STQMWFEESA-N 2 0 363.462 0.239 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159191617 1223120198 /nfs/dbraw/zinc/12/01/98/1223120198.db2.gz IYCVQRPAZDMBRO-AEFFLSMTSA-N 2 0 363.506 0.985 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159227170 1223121261 /nfs/dbraw/zinc/12/12/61/1223121261.db2.gz FBFDDBYFXISCLL-JENIJYKNSA-N 2 0 362.474 0.815 20 0 FCADRP Cc1cccc(N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339391 1223124508 /nfs/dbraw/zinc/12/45/08/1223124508.db2.gz NDOPAUHRNTYDAN-QAKNJHSXSA-N 2 0 370.497 0.801 20 0 FCADRP Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159367864 1223125111 /nfs/dbraw/zinc/12/51/11/1223125111.db2.gz LVIOJVNGOCKJQB-NVXWUHKLSA-N 2 0 372.473 0.524 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]C1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403671 1223125870 /nfs/dbraw/zinc/12/58/70/1223125870.db2.gz RMLZENANILGRHU-LUKYLMHMSA-N 2 0 359.474 0.824 20 0 FCADRP O=C(CC1CC[NH2+]CC1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402519 1223125952 /nfs/dbraw/zinc/12/59/52/1223125952.db2.gz HCFBUVPJRLFQAS-YESZJQIVSA-N 2 0 359.474 0.824 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001159411412 1223126595 /nfs/dbraw/zinc/12/65/95/1223126595.db2.gz BKAWVWGAFYFRFD-ROUUACIJSA-N 2 0 358.486 0.865 20 0 FCADRP CN(Cc1cccnc1)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425115 1223126912 /nfs/dbraw/zinc/12/69/12/1223126912.db2.gz PSOYFPLUYSTWGG-TVFCKZIOSA-N 2 0 361.490 0.338 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001159481447 1223127817 /nfs/dbraw/zinc/12/78/17/1223127817.db2.gz PRXUJNGYGDFPRI-WSTZPKSXSA-N 3 0 364.534 0.520 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549158 1223129260 /nfs/dbraw/zinc/12/92/60/1223129260.db2.gz LQBKECBYNUCMGN-INIZCTEOSA-N 3 0 362.522 0.975 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549521 1223129529 /nfs/dbraw/zinc/12/95/29/1223129529.db2.gz OBQWZZNXLHJXQS-ZDUSSCGKSA-N 2 0 362.478 0.240 20 0 FCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573697 1223129915 /nfs/dbraw/zinc/12/99/15/1223129915.db2.gz DJNVSBSALHBYFS-HALDLXJZSA-N 2 0 368.485 0.683 20 0 FCADRP [NH3+][C@H](C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)C1CC[NH2+]CC1 ZINC001159561104 1223129968 /nfs/dbraw/zinc/12/99/68/1223129968.db2.gz WJPLGNKREXJOMD-SFHVURJKSA-N 3 0 360.506 0.584 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159595274 1223130229 /nfs/dbraw/zinc/13/02/29/1223130229.db2.gz RHAJFNQYRKDNSE-GVDBMIGSSA-N 2 0 354.454 0.592 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663982 1223132715 /nfs/dbraw/zinc/13/27/15/1223132715.db2.gz BQIZCFDLZZSMRT-SQNIBIBYSA-N 2 0 360.458 0.262 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666086 1223132934 /nfs/dbraw/zinc/13/29/34/1223132934.db2.gz OYUNYUHLQVYGHQ-OKZBNKHCSA-N 2 0 370.457 0.176 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666080 1223133153 /nfs/dbraw/zinc/13/31/53/1223133153.db2.gz OYUNYUHLQVYGHQ-BZSNNMDCSA-N 2 0 370.457 0.176 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159697498 1223134485 /nfs/dbraw/zinc/13/44/85/1223134485.db2.gz HRCHFKLDCXFTSK-MWDXBVQZSA-N 2 0 362.474 0.923 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159698324 1223134555 /nfs/dbraw/zinc/13/45/55/1223134555.db2.gz LRKGKLBWLAZXKC-DLBZAZTESA-N 2 0 368.481 0.318 20 0 FCADRP Cc1ccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053279 1223143563 /nfs/dbraw/zinc/14/35/63/1223143563.db2.gz REUFXUUFBLSOCA-MNEFBYGVSA-N 2 0 374.489 0.110 20 0 FCADRP COC[C@@H]1COCCC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160060043 1223144040 /nfs/dbraw/zinc/14/40/40/1223144040.db2.gz SMZALYIBMOMRLW-NVXWUHKLSA-N 2 0 368.522 0.029 20 0 FCADRP [NH3+][C@@H](C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1)C1CC[NH2+]CC1 ZINC001160065275 1223144261 /nfs/dbraw/zinc/14/42/61/1223144261.db2.gz IARNCWSUVRFXIC-GOSISDBHSA-N 2 0 369.473 0.241 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160083738 1223144427 /nfs/dbraw/zinc/14/44/27/1223144427.db2.gz BSLZWANXVBPYMD-BXWFABGCSA-N 2 0 359.474 0.393 20 0 FCADRP N[C@@]1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CCC[NH2+]C1 ZINC001160138827 1223146549 /nfs/dbraw/zinc/14/65/49/1223146549.db2.gz RPGNOYOAZYDENZ-HIRMHNASSA-N 2 0 359.474 0.263 20 0 FCADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157022 1223147045 /nfs/dbraw/zinc/14/70/45/1223147045.db2.gz SRRCNSYKFMAYQZ-PNYFIKQUSA-N 2 0 363.502 0.857 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H]2C[NH2+]C[C@H]2O)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172581 1223147946 /nfs/dbraw/zinc/14/79/46/1223147946.db2.gz YWUDQPOLHDZVHU-SJLPKXTDSA-N 2 0 367.453 0.718 20 0 FCADRP [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001160338603 1223155485 /nfs/dbraw/zinc/15/54/85/1223155485.db2.gz DHPDHEGEDPBPPU-UHFFFAOYSA-N 2 0 363.425 0.833 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160412276 1223157694 /nfs/dbraw/zinc/15/76/94/1223157694.db2.gz KDSZNHPMGCIUHD-YYIAUSFCSA-N 2 0 365.478 0.114 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC(N2c3ccccc3CC2=O)CC1 ZINC001160442984 1223159689 /nfs/dbraw/zinc/15/96/89/1223159689.db2.gz CYKZHKCVMPBPJX-KRWDZBQOSA-N 2 0 367.453 0.870 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(CCc2ccccn2)CC1 ZINC001160484063 1223162674 /nfs/dbraw/zinc/16/26/74/1223162674.db2.gz YAFGRQDQEDVLGI-GOSISDBHSA-N 2 0 357.502 0.643 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160507444 1223163378 /nfs/dbraw/zinc/16/33/78/1223163378.db2.gz ZSUSBUNAOUZQOO-CVEARBPZSA-N 2 0 364.490 0.101 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC001160556034 1223165012 /nfs/dbraw/zinc/16/50/12/1223165012.db2.gz JZRCMDUDUXOZCW-AWEZNQCLSA-N 2 0 356.426 0.567 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001160669705 1223167804 /nfs/dbraw/zinc/16/78/04/1223167804.db2.gz KGCPWHFQGNRITJ-HOTGVXAUSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160709655 1223169127 /nfs/dbraw/zinc/16/91/27/1223169127.db2.gz HRMITOHLYKRTHZ-WIYYLYMNSA-N 2 0 354.498 0.987 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160781996 1223172498 /nfs/dbraw/zinc/17/24/98/1223172498.db2.gz YGWATLVVJYMOQK-HUOQQOJOSA-N 2 0 358.486 0.476 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]3(C(C)C)CCC[NH2+]C3)C[C@H]1C2 ZINC001160794115 1223173017 /nfs/dbraw/zinc/17/30/17/1223173017.db2.gz LIEOYWUVVGHOTK-VKSPVCMPSA-N 2 0 363.502 0.869 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C)[C@@H]3CC[NH2+][C@H](C)C3)C[C@H]1C2 ZINC001160794523 1223173216 /nfs/dbraw/zinc/17/32/16/1223173216.db2.gz PPQWGJAHHUGPBR-FPAZOGIVSA-N 2 0 363.502 0.868 20 0 FCADRP C[NH2+]Cc1ccc(C(=O)N2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cc1 ZINC001160799827 1223173477 /nfs/dbraw/zinc/17/34/77/1223173477.db2.gz NRSYBGYNZKYNML-YZLZLFLDSA-N 2 0 357.454 0.877 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)CCN3)C[C@H]1C[NH2+]CC2 ZINC001160811958 1223174658 /nfs/dbraw/zinc/17/46/58/1223174658.db2.gz BJKMBSDSUSMLSB-ZRGWGRIASA-N 2 0 366.506 0.060 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])C3Cc4ccccc4C3)C[C@H]1C[NH2+]CC2 ZINC001160812047 1223174870 /nfs/dbraw/zinc/17/48/70/1223174870.db2.gz YLTGLJNBTALBSL-LVCYWYKZSA-N 2 0 371.481 0.730 20 0 FCADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160825134 1223175840 /nfs/dbraw/zinc/17/58/40/1223175840.db2.gz VSFVUQHEYFSZPX-UKRRQHHQSA-N 2 0 361.446 0.273 20 0 FCADRP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160940978 1223181189 /nfs/dbraw/zinc/18/11/89/1223181189.db2.gz PUEUKVMNGVNMMZ-QGZVFWFLSA-N 2 0 356.470 0.099 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1c1ccc(F)cc1 ZINC001161085490 1223184829 /nfs/dbraw/zinc/18/48/29/1223184829.db2.gz ZFTZGNRUTTYYIA-IXDOHACOSA-N 2 0 363.433 0.868 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196818 1223189412 /nfs/dbraw/zinc/18/94/12/1223189412.db2.gz SGNXGKLKWCRJDK-MJGOQNOKSA-N 2 0 366.550 0.925 20 0 FCADRP Cc1cccc(N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C2CC[NH2+]CC2)n1 ZINC001161301952 1223194486 /nfs/dbraw/zinc/19/44/86/1223194486.db2.gz CECPZHXWRUEEDI-INIZCTEOSA-N 2 0 359.474 0.815 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001161308557 1223194912 /nfs/dbraw/zinc/19/49/12/1223194912.db2.gz DDDMYMVIYXWILE-HNNXBMFYSA-N 3 0 364.494 0.596 20 0 FCADRP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161329143 1223196139 /nfs/dbraw/zinc/19/61/39/1223196139.db2.gz VFZFLHMDJGVVRC-QGZVFWFLSA-N 2 0 356.470 0.559 20 0 FCADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378269 1223196984 /nfs/dbraw/zinc/19/69/84/1223196984.db2.gz LKYYCVYRZWIOHA-HOTGVXAUSA-N 2 0 368.522 0.850 20 0 FCADRP COc1ccnc(OC2CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2)n1 ZINC001161367594 1223197137 /nfs/dbraw/zinc/19/71/37/1223197137.db2.gz LKZPMZXYYASISB-HNNXBMFYSA-N 2 0 365.478 0.914 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380837 1223197623 /nfs/dbraw/zinc/19/76/23/1223197623.db2.gz VYNKJAOKYJRWNC-VQIMIIECSA-N 2 0 358.486 0.906 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)NC4CC[NH2+]CC4)cc3)C[C@@H]12 ZINC001161416612 1223198290 /nfs/dbraw/zinc/19/82/90/1223198290.db2.gz JIBAETZMUBHQTK-KBAYOESNSA-N 2 0 356.470 0.978 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446566 1223199808 /nfs/dbraw/zinc/19/98/08/1223199808.db2.gz SMUNDDHOQMMDHB-MOPGFXCFSA-N 3 0 362.518 0.933 20 0 FCADRP O=C(c1cccnc1NC1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001161469907 1223200042 /nfs/dbraw/zinc/20/00/42/1223200042.db2.gz KLNDRSLDTODOGD-MRXNPFEDSA-N 2 0 358.490 0.365 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]1CO[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001161477393 1223200756 /nfs/dbraw/zinc/20/07/56/1223200756.db2.gz HSQNNFMSCMQZGN-QXGSTGNESA-N 2 0 365.474 0.289 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])C1Cc3ccccc3C1)CC2 ZINC001161480846 1223200769 /nfs/dbraw/zinc/20/07/69/1223200769.db2.gz VMGBPUAVNAWATR-ZWOKBUDYSA-N 2 0 357.454 0.482 20 0 FCADRP COC(=O)c1cccc([C@@H]2CCCN2C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001161488109 1223202093 /nfs/dbraw/zinc/20/20/93/1223202093.db2.gz AOYJEGZFGCYXFH-MSOLQXFVSA-N 2 0 374.485 0.887 20 0 FCADRP COc1ccccc1C1(CC(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CC[NH2+]CC1 ZINC001161508306 1223202715 /nfs/dbraw/zinc/20/27/15/1223202715.db2.gz DCPNRWDYHTYTGC-QGZVFWFLSA-N 2 0 359.470 0.893 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191639 1223211206 /nfs/dbraw/zinc/21/12/06/1223211206.db2.gz WHPRZEIDYJVNMK-MRXNPFEDSA-N 2 0 360.506 0.859 20 0 FCADRP [NH3+]Cc1nc2cnccc2n1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001162220228 1223211967 /nfs/dbraw/zinc/21/19/67/1223211967.db2.gz SLAYBOCWCMQEMD-UHFFFAOYSA-N 2 0 352.402 0.109 20 0 FCADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](CCOCCO)CC1 ZINC001162283424 1223212886 /nfs/dbraw/zinc/21/28/86/1223212886.db2.gz ZMTAPEINFDQAEO-IAGOWNOFSA-N 2 0 371.522 0.180 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001162537707 1223218249 /nfs/dbraw/zinc/21/82/49/1223218249.db2.gz ZVKJMPZAIQUIRA-UHFFFAOYSA-N 2 0 371.441 0.990 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cncc(N2CCC([NH3+])CC2)n1 ZINC001162729809 1223218936 /nfs/dbraw/zinc/21/89/36/1223218936.db2.gz IKDIHWXXQIECCP-HNNXBMFYSA-N 2 0 364.494 0.947 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nn2)CC1 ZINC001163167910 1223227869 /nfs/dbraw/zinc/22/78/69/1223227869.db2.gz RIFXTQRCDMCNQV-UNEWFSDZSA-N 2 0 374.489 0.337 20 0 FCADRP COc1ccc(CN2CC[NH+](C)CC2)cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163254616 1223228491 /nfs/dbraw/zinc/22/84/91/1223228491.db2.gz OPXFWDSBDJRTQA-HKUYNNGSSA-N 2 0 359.474 0.433 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582003 1223240142 /nfs/dbraw/zinc/24/01/42/1223240142.db2.gz BNEQOOGSHLXCAJ-HZPDHXFCSA-N 2 0 367.538 0.910 20 0 FCADRP CCOC(=O)[C@@]12CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]1C[NH2+]CC2 ZINC001165170562 1223242861 /nfs/dbraw/zinc/24/28/61/1223242861.db2.gz UHWRTZFLZQPYCG-BEFAXECRSA-N 2 0 374.489 0.207 20 0 FCADRP Cc1cnc(C[NH2+]CC2(CCNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)cn1 ZINC001165728023 1223255340 /nfs/dbraw/zinc/25/53/40/1223255340.db2.gz LYHJPKXVPVCJBI-NVXWUHKLSA-N 2 0 361.490 0.880 20 0 FCADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001165728718 1223255382 /nfs/dbraw/zinc/25/53/82/1223255382.db2.gz RFDKDCKUEOVMQE-RBSFLKMASA-N 2 0 364.494 0.471 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3CCN(C4CCOCC4)C(=O)C3)[nH+]2)CC1 ZINC001166914144 1223288879 /nfs/dbraw/zinc/28/88/79/1223288879.db2.gz KFQCOQCEHDCHHD-UHFFFAOYSA-N 2 0 359.474 0.837 20 0 FCADRP COC(=O)C1(Nc2cccc3c2NC(=O)C32CC[NH2+]CC2)CC[NH2+]CC1 ZINC001166968632 1223290191 /nfs/dbraw/zinc/29/01/91/1223290191.db2.gz QIGOIAUZBZKERC-UHFFFAOYSA-N 2 0 358.442 0.967 20 0 FCADRP COC(=O)C1(Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)CC[NH2+]CC1 ZINC001166968757 1223290490 /nfs/dbraw/zinc/29/04/90/1223290490.db2.gz SAUQSUDRVRAVGW-CQSZACIVSA-N 2 0 359.430 0.702 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205318724 1223319523 /nfs/dbraw/zinc/31/95/23/1223319523.db2.gz ONGNFCWHKHJZCY-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516409 1223329763 /nfs/dbraw/zinc/32/97/63/1223329763.db2.gz CHSIBCOCPCYVOA-JKSUJKDBSA-N 2 0 366.506 0.143 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+]([C@@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513797 1223329784 /nfs/dbraw/zinc/32/97/84/1223329784.db2.gz RCCZJRMDBHCLML-HRCADAONSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCO)C1 ZINC001205674487 1223334705 /nfs/dbraw/zinc/33/47/05/1223334705.db2.gz UZTSAVATXYSYED-FUHWJXTLSA-N 2 0 367.465 0.670 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205686160 1223334977 /nfs/dbraw/zinc/33/49/77/1223334977.db2.gz WTUAPGRODGDXEU-JLJPHGGASA-N 2 0 362.449 0.407 20 0 FCADRP c1cc(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc(N2CC[NH2+]CC2)c1 ZINC001205894602 1223340779 /nfs/dbraw/zinc/34/07/79/1223340779.db2.gz LCLBETBXEJAVGV-UHFFFAOYSA-N 2 0 366.469 0.993 20 0 FCADRP C[NH+]1CCC(C[NH2+]C2CCN(c3cnccn3)CC2)(N2CCOCC2)CC1 ZINC001206284453 1223352976 /nfs/dbraw/zinc/35/29/76/1223352976.db2.gz ATGHODKQJXLMQU-UHFFFAOYSA-N 2 0 374.533 0.832 20 0 FCADRP CN(C)C(=O)CN1CCOCC2(CC[NH+](Cc3cccc(=O)[nH]3)CC2)C1 ZINC001207068020 1223412026 /nfs/dbraw/zinc/41/20/26/1223412026.db2.gz CNECWSCYYIOGTA-UHFFFAOYSA-N 2 0 362.474 0.790 20 0 FCADRP O=C(c1cnccn1)N1CCOC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC001207436672 1223446850 /nfs/dbraw/zinc/44/68/50/1223446850.db2.gz HJGHSEGLUUZSNT-UHFFFAOYSA-N 2 0 359.474 0.783 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784216 1223479188 /nfs/dbraw/zinc/47/91/88/1223479188.db2.gz GGZXKWCSMQZASS-OIISXLGYSA-N 2 0 359.474 0.575 20 0 FCADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612184 1223564148 /nfs/dbraw/zinc/56/41/48/1223564148.db2.gz GJHHAKTZHWLIOK-RBUKOAKNSA-N 2 0 360.550 0.904 20 0 FCADRP COCCCNC(=O)[C@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276636610 1223613530 /nfs/dbraw/zinc/61/35/30/1223613530.db2.gz PJKIISBUAUCRDU-GOSISDBHSA-N 2 0 366.550 0.879 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001209649669 1223637878 /nfs/dbraw/zinc/63/78/78/1223637878.db2.gz WIVLOOSPYJFYKT-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC[N@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667836 1223647835 /nfs/dbraw/zinc/64/78/35/1223647835.db2.gz LOSIKYICZKLUAD-LJQANCHMSA-N 2 0 370.513 0.677 20 0 FCADRP C[C@H](C(=O)NC1CC1)N1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830235 1223652166 /nfs/dbraw/zinc/65/21/66/1223652166.db2.gz VFBILZXROWUWNI-CKEIUWERSA-N 2 0 366.506 0.201 20 0 FCADRP CCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836178 1223652549 /nfs/dbraw/zinc/65/25/49/1223652549.db2.gz ITSDESQZRIWECF-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326202 1223734872 /nfs/dbraw/zinc/73/48/72/1223734872.db2.gz DWZZXFASQHRVPD-KZNAEPCWSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001211451696 1223743642 /nfs/dbraw/zinc/74/36/42/1223743642.db2.gz FUOJKXRJNWVPFU-HLLBOEOZSA-N 2 0 362.430 0.490 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322671 1223784242 /nfs/dbraw/zinc/78/42/42/1223784242.db2.gz NFQDUUIIHZCBDN-RCCFBDPRSA-N 2 0 371.522 0.587 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638212 1223825714 /nfs/dbraw/zinc/82/57/14/1223825714.db2.gz DANWSMRXVXOKDA-KBAYOESNSA-N 2 0 369.506 0.339 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764910 1223845812 /nfs/dbraw/zinc/84/58/12/1223845812.db2.gz KNBDSOOOBPQOHA-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863232 1223863544 /nfs/dbraw/zinc/86/35/44/1223863544.db2.gz IACTVUNBLNFVRY-BHIYHBOVSA-N 2 0 361.486 0.970 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863045 1223863905 /nfs/dbraw/zinc/86/39/05/1223863905.db2.gz ASHWKBWGYSXEOZ-CGTJXYLNSA-N 2 0 369.506 0.197 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863992 1223863973 /nfs/dbraw/zinc/86/39/73/1223863973.db2.gz XCBCRNSHNKAUCA-RCCFBDPRSA-N 2 0 371.522 0.587 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001214336123 1223902283 /nfs/dbraw/zinc/90/22/83/1223902283.db2.gz UWHKXIGNFIDJCW-MCIONIFRSA-N 2 0 367.494 0.141 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597731 1223924831 /nfs/dbraw/zinc/92/48/31/1223924831.db2.gz OIGRYTREZAPUMW-ZACQAIPSSA-N 2 0 368.522 0.448 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597523 1223924988 /nfs/dbraw/zinc/92/49/88/1223924988.db2.gz LGSTZNGXFSSCJD-KFWWJZLASA-N 2 0 367.494 0.141 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214610957 1223925973 /nfs/dbraw/zinc/92/59/73/1223925973.db2.gz IKJMUOIVAXESJK-KFWWJZLASA-N 2 0 363.462 0.922 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214634249 1223927885 /nfs/dbraw/zinc/92/78/85/1223927885.db2.gz GZORNXONRFZJTR-MGPQQGTHSA-N 2 0 367.494 0.271 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214779901 1223941718 /nfs/dbraw/zinc/94/17/18/1223941718.db2.gz CQTVMUUXZRYDIL-KBAYOESNSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214855711 1223948383 /nfs/dbraw/zinc/94/83/83/1223948383.db2.gz LRBJZAZTZIJRCO-QBIMZIAESA-N 2 0 366.506 0.058 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)no1 ZINC001214855676 1223948596 /nfs/dbraw/zinc/94/85/96/1223948596.db2.gz KOAPVHMZKPPOAQ-JDSLSITLSA-N 2 0 363.462 0.698 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001215001328 1223962651 /nfs/dbraw/zinc/96/26/51/1223962651.db2.gz DJIDSXRYFAJONI-GDBMZVCRSA-N 2 0 368.522 0.448 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001215000055 1223962780 /nfs/dbraw/zinc/96/27/80/1223962780.db2.gz WACRXCPOGIIGFC-OWCLPIDISA-N 2 0 370.538 0.694 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215153174 1223978642 /nfs/dbraw/zinc/97/86/42/1223978642.db2.gz GGIJSXXHFWXYOM-ZTFGCOKTSA-N 2 0 368.441 0.642 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215184607 1223980727 /nfs/dbraw/zinc/98/07/27/1223980727.db2.gz LARHDUZYSNWXAJ-LGFHUAIBSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215225980 1223983629 /nfs/dbraw/zinc/98/36/29/1223983629.db2.gz AXZGDFGKOKKPDI-OIISXLGYSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215224864 1223983690 /nfs/dbraw/zinc/98/36/90/1223983690.db2.gz YYPKMFKRXTWMCL-OLMNPRSZSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000978175807 1248716813 /nfs/dbraw/zinc/71/68/13/1248716813.db2.gz HVBWZSKJKXXNJA-NNPSNHGLSA-N 2 0 362.518 0.633 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215299101 1223991228 /nfs/dbraw/zinc/99/12/28/1223991228.db2.gz XFXVEILSMXTHQG-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001215380871 1223994846 /nfs/dbraw/zinc/99/48/46/1223994846.db2.gz DWQWUNXMOLUJFS-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001215415726 1223998331 /nfs/dbraw/zinc/99/83/31/1223998331.db2.gz JUGAZRZWJAWPOM-HYVNUMGLSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423280 1223998978 /nfs/dbraw/zinc/99/89/78/1223998978.db2.gz FOEMVPQJBAOONM-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC001215460682 1224000382 /nfs/dbraw/zinc/00/03/82/1224000382.db2.gz CUTQPXCMBRVDFL-CXAGYDPISA-N 2 0 360.462 0.963 20 0 FCADRP CCCn1nccc1NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215462914 1224000484 /nfs/dbraw/zinc/00/04/84/1224000484.db2.gz AUCJWPJPIAGMEB-HUUCEWRRSA-N 2 0 364.494 0.620 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568370 1224006675 /nfs/dbraw/zinc/00/66/75/1224006675.db2.gz NOPNOGCVFQLYJS-HZSPNIEDSA-N 2 0 369.510 0.245 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1)[NH+]1CCCC1 ZINC001215599087 1224008977 /nfs/dbraw/zinc/00/89/77/1224008977.db2.gz QOHUONZZINTDLB-KZNAEPCWSA-N 2 0 363.506 0.821 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778545 1224017637 /nfs/dbraw/zinc/01/76/37/1224017637.db2.gz QZEVIIXKGFNIMX-CRAIPNDOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215781991 1224018085 /nfs/dbraw/zinc/01/80/85/1224018085.db2.gz RKBQEDXMTFCYGZ-BPQIPLTHSA-N 2 0 363.506 0.412 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099535 1224034074 /nfs/dbraw/zinc/03/40/74/1224034074.db2.gz SQVMKCVMQMFESI-NVXWUHKLSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001216334913 1224045397 /nfs/dbraw/zinc/04/53/97/1224045397.db2.gz AEOTYCNFBAONCI-POAQFYNOSA-N 2 0 363.502 0.909 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001216401558 1224048690 /nfs/dbraw/zinc/04/86/90/1224048690.db2.gz LVFPCPNQCGJHND-NZSAHSFTSA-N 2 0 363.502 0.605 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216502449 1224053391 /nfs/dbraw/zinc/05/33/91/1224053391.db2.gz BJWBNDOOBJNKJF-QLFBSQMISA-N 2 0 362.478 0.582 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)c1ccco1 ZINC001216757490 1224068944 /nfs/dbraw/zinc/06/89/44/1224068944.db2.gz ADRODLGBANZMTJ-OWCLPIDISA-N 2 0 362.474 0.989 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001216756138 1224069103 /nfs/dbraw/zinc/06/91/03/1224069103.db2.gz UENJKOQTAZWZAY-QLFBSQMISA-N 2 0 360.462 0.336 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001216758138 1224069521 /nfs/dbraw/zinc/06/95/21/1224069521.db2.gz XZOGRWWCGUWBRB-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216844822 1224078646 /nfs/dbraw/zinc/07/86/46/1224078646.db2.gz KPENJXMXOVHJEK-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216845032 1224078676 /nfs/dbraw/zinc/07/86/76/1224078676.db2.gz URKOJPHXZORWHO-NXHRZFHOSA-N 2 0 368.522 0.450 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216854277 1224079015 /nfs/dbraw/zinc/07/90/15/1224079015.db2.gz XEJKBAXUTJNTCR-HUUCEWRRSA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001217009867 1224084304 /nfs/dbraw/zinc/08/43/04/1224084304.db2.gz HIJQSZNWGLSAGD-GDBMZVCRSA-N 2 0 359.430 0.571 20 0 FCADRP COCc1nc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)no1 ZINC001276750629 1224084584 /nfs/dbraw/zinc/08/45/84/1224084584.db2.gz ITBZFCQMGRZGRA-GOSISDBHSA-N 2 0 365.478 0.982 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987463441 1249028968 /nfs/dbraw/zinc/02/89/68/1249028968.db2.gz HNCUQCPZIDFESG-HYVNUMGLSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987952378 1249273707 /nfs/dbraw/zinc/27/37/07/1249273707.db2.gz JIYFCJWKEBQQIL-WBVHZDCISA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000988029571 1249302932 /nfs/dbraw/zinc/30/29/32/1249302932.db2.gz AZORFBIMIQGCNA-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC000993267159 1249415295 /nfs/dbraw/zinc/41/52/95/1249415295.db2.gz WDMDXLYNWMBCCT-MIALQEHNSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849116984 1245392824 /nfs/dbraw/zinc/39/28/24/1245392824.db2.gz XQQNNKKMAPFPQM-QGZVFWFLSA-N 3 0 366.554 0.381 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891480247 1245451298 /nfs/dbraw/zinc/45/12/98/1245451298.db2.gz ADNJKCABIQHWDW-YVSFHVDLSA-N 2 0 365.522 0.759 20 0 FCADRP O=C([C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282343 1245705110 /nfs/dbraw/zinc/70/51/10/1245705110.db2.gz NQLQMURXGHSPFN-HZPDHXFCSA-N 2 0 365.449 0.709 20 0 FCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000923326809 1245709562 /nfs/dbraw/zinc/70/95/62/1245709562.db2.gz LEVVTWIYDOOTDM-XWSJACJDSA-N 2 0 359.518 0.766 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000923321512 1245709807 /nfs/dbraw/zinc/70/98/07/1245709807.db2.gz GPZAMPSBWJEWKM-QZTJIDSGSA-N 2 0 366.506 0.792 20 0 FCADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366860 1245713384 /nfs/dbraw/zinc/71/33/84/1245713384.db2.gz PLPMKRFITBULOU-MSOLQXFVSA-N 2 0 362.474 0.364 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942120699 1246987229 /nfs/dbraw/zinc/98/72/29/1246987229.db2.gz OSVOICVMWBYYEF-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000994239121 1250307253 /nfs/dbraw/zinc/30/72/53/1250307253.db2.gz IJGKJVPJSWUFEW-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943590977 1247361203 /nfs/dbraw/zinc/36/12/03/1247361203.db2.gz AQUHXHVSJZNASV-USXIJHARSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000944052864 1247459060 /nfs/dbraw/zinc/45/90/60/1247459060.db2.gz XEASUADIKCJNHI-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC3)CC[N@@H+]1C ZINC000944884457 1247675228 /nfs/dbraw/zinc/67/52/28/1247675228.db2.gz PHAKUMFAPHRVDD-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC3)CC[N@@H+]1C ZINC000944940947 1247686318 /nfs/dbraw/zinc/68/63/18/1247686318.db2.gz PYVKDTOXVHFGMM-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COCc2ccccc21 ZINC001327820996 1265434999 /nfs/dbraw/zinc/43/49/99/1265434999.db2.gz RJIDMTDWXRKDJC-QGZVFWFLSA-N 2 0 362.474 0.326 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000946775409 1248006027 /nfs/dbraw/zinc/00/60/27/1248006027.db2.gz IEGUGOPMMPDHHO-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000946775789 1248008598 /nfs/dbraw/zinc/00/85/98/1248008598.db2.gz QHQGLLIRPPLASY-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976601915 1248281741 /nfs/dbraw/zinc/28/17/41/1248281741.db2.gz YVJSCRSBDCQCJX-OBRKIGFESA-N 2 0 362.518 0.774 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C=CCC1 ZINC001328001862 1265469437 /nfs/dbraw/zinc/46/94/37/1265469437.db2.gz AXXYYNKEDCTSFS-MRXNPFEDSA-N 2 0 357.458 0.545 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1C ZINC000976894114 1248447265 /nfs/dbraw/zinc/44/72/65/1248447265.db2.gz ZCRDTQCZIHBFHL-FUEZWAHWSA-N 2 0 367.453 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994315903 1250367400 /nfs/dbraw/zinc/36/74/00/1250367400.db2.gz SBXFAMGEARDJNY-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c2)CC1 ZINC001328174485 1265497019 /nfs/dbraw/zinc/49/70/19/1265497019.db2.gz NJWWCIBBQZIUIN-UHFFFAOYSA-N 2 0 368.485 0.733 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995830685 1250998053 /nfs/dbraw/zinc/99/80/53/1250998053.db2.gz HLLOSFIIDRKKSY-KFWWJZLASA-N 2 0 364.490 0.302 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000998470272 1251889897 /nfs/dbraw/zinc/88/98/97/1251889897.db2.gz ZLLJNMMHWPCZRL-ORQFMDKSSA-N 2 0 359.474 0.781 20 0 FCADRP C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CCC1 ZINC000998656488 1251942290 /nfs/dbraw/zinc/94/22/90/1251942290.db2.gz RDOCIXQTMLOLBR-PMPSAXMXSA-N 2 0 360.502 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ncc[nH]2)C3)CC[N@@H+]1C ZINC000999735596 1252183514 /nfs/dbraw/zinc/18/35/14/1252183514.db2.gz OJQBDXBNNNMLPK-CWVYHPPDSA-N 2 0 359.474 0.931 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCO)C3)nn2)CC[N@@H+]1C ZINC000999985444 1252258867 /nfs/dbraw/zinc/25/88/67/1252258867.db2.gz CDWIQOISSWQVPJ-YESZJQIVSA-N 2 0 364.494 0.254 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC001002613309 1252616474 /nfs/dbraw/zinc/61/64/74/1252616474.db2.gz JUELLXZZBIUIPB-TVFCKZIOSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC001002795255 1252678942 /nfs/dbraw/zinc/67/89/42/1252678942.db2.gz LTSQKUPYIRAESY-TVFCKZIOSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003744692 1253087606 /nfs/dbraw/zinc/08/76/06/1253087606.db2.gz AFSYYBHHWKPLJD-DDBAPUKQSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003745297 1253087860 /nfs/dbraw/zinc/08/78/60/1253087860.db2.gz IAHADERASOILJJ-DDBAPUKQSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362842 1265715940 /nfs/dbraw/zinc/71/59/40/1265715940.db2.gz MNTBNEKDKJVJJQ-APWZRJJASA-N 2 0 360.502 0.674 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004365625 1253301760 /nfs/dbraw/zinc/30/17/60/1253301760.db2.gz HKTDDRGPKKRYAM-VQHPVUNQSA-N 2 0 360.502 0.672 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2)C12CC[NH+](CC1)C2 ZINC001004390994 1253312296 /nfs/dbraw/zinc/31/22/96/1253312296.db2.gz NCRSYVPSMXXAML-ZACQAIPSSA-N 2 0 372.513 0.959 20 0 FCADRP O=C(CCc1ncc[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392713 1253312510 /nfs/dbraw/zinc/31/25/10/1253312510.db2.gz XBTLFNUHTVSCRI-KFWWJZLASA-N 2 0 357.458 0.686 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001005408279 1253547065 /nfs/dbraw/zinc/54/70/65/1253547065.db2.gz WKFITYVOTCBTNR-BPQIPLTHSA-N 2 0 363.506 0.507 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001329508571 1265771379 /nfs/dbraw/zinc/77/13/79/1265771379.db2.gz JFYAJGGRLNALHB-KDURUIRLSA-N 2 0 370.497 0.992 20 0 FCADRP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001519903496 1265798741 /nfs/dbraw/zinc/79/87/41/1265798741.db2.gz ZJCCKSOKKRTUEB-CRAIPNDOSA-N 2 0 367.538 0.563 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@@H]3CCN(C)C3=O)cc2)CC[N@@H+]1C ZINC001034818365 1254008231 /nfs/dbraw/zinc/00/82/31/1254008231.db2.gz GBBUGVPETXLWFU-ZTFGCOKTSA-N 2 0 358.486 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)CC)CC[N@@H+]1C ZINC001061622008 1254194327 /nfs/dbraw/zinc/19/43/27/1254194327.db2.gz KGWGVIIJXUHFTE-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001061737052 1254217013 /nfs/dbraw/zinc/21/70/13/1254217013.db2.gz FDOVCQJBPJPLTE-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031433 1265831349 /nfs/dbraw/zinc/83/13/49/1265831349.db2.gz PJEOXESATSALSQ-SJLPKXTDSA-N 2 0 350.507 0.336 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001065213033 1254496021 /nfs/dbraw/zinc/49/60/21/1254496021.db2.gz ZWUUPWCBVNDOAL-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001077618935 1254786760 /nfs/dbraw/zinc/78/67/60/1254786760.db2.gz WCOPRYCRKLUEMS-QRVBRYPASA-N 2 0 361.486 0.877 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680365 1254867076 /nfs/dbraw/zinc/86/70/76/1254867076.db2.gz CDHMFFLOEKLYGB-MDZRGWNJSA-N 2 0 371.497 0.787 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1 ZINC001077680367 1254867359 /nfs/dbraw/zinc/86/73/59/1254867359.db2.gz CDJFRUZAYHDSMD-KFKAGJAMSA-N 2 0 361.486 0.741 20 0 FCADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)c1 ZINC001077816886 1255018080 /nfs/dbraw/zinc/01/80/80/1255018080.db2.gz AYTRYXABRWVRNY-RTBURBONSA-N 2 0 371.485 0.728 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)cn1 ZINC001077816988 1255018360 /nfs/dbraw/zinc/01/83/60/1255018360.db2.gz GRDZDTQYZYYOJB-QZTJIDSGSA-N 2 0 361.490 0.720 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174622 1255288118 /nfs/dbraw/zinc/28/81/18/1255288118.db2.gz QNALSHOTSIDRSV-BHIYHBOVSA-N 2 0 369.469 0.485 20 0 FCADRP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175808 1255290745 /nfs/dbraw/zinc/29/07/45/1255290745.db2.gz NRKLPDHDUMFTMG-BHIYHBOVSA-N 2 0 361.486 0.795 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001078404349 1255409315 /nfs/dbraw/zinc/40/93/15/1255409315.db2.gz YVXLXCUMYDABBY-OKZBNKHCSA-N 2 0 363.506 0.858 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079242915 1255484501 /nfs/dbraw/zinc/48/45/01/1255484501.db2.gz AETALVPZNOVOOG-ZJPYXAASSA-N 2 0 365.518 0.912 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079256894 1255489986 /nfs/dbraw/zinc/48/99/86/1255489986.db2.gz LEUSMRSSQYXAHE-OKZBNKHCSA-N 2 0 365.518 0.793 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258018 1255491134 /nfs/dbraw/zinc/49/11/34/1255491134.db2.gz JJNCJJFBFGZFDC-ZWKOTPCHSA-N 2 0 365.518 0.914 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270334 1255495841 /nfs/dbraw/zinc/49/58/41/1255495841.db2.gz NAKVAUHZOWJJPS-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079309518 1255504675 /nfs/dbraw/zinc/50/46/75/1255504675.db2.gz BPWDNLFRYJDXSN-YXJHDRRASA-N 2 0 364.465 0.781 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707710 1255581919 /nfs/dbraw/zinc/58/19/19/1255581919.db2.gz RGZMNKCLKCPQKT-KBAYOESNSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080136338 1255755185 /nfs/dbraw/zinc/75/51/85/1255755185.db2.gz NDGDGWUKRFFHFR-FHLIZLRMSA-N 2 0 368.441 0.642 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164657 1255768598 /nfs/dbraw/zinc/76/85/98/1255768598.db2.gz LTYBNGZBAMZGQV-CQNSDRIQSA-N 2 0 356.470 0.881 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255447 1255808093 /nfs/dbraw/zinc/80/80/93/1255808093.db2.gz YEUIWRBUVIMGPX-IXDOHACOSA-N 2 0 363.506 0.555 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001081098184 1256176662 /nfs/dbraw/zinc/17/66/62/1256176662.db2.gz YZINEBALCRLKSU-IPMKNSEASA-N 2 0 370.497 0.897 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1 ZINC001081118616 1256184811 /nfs/dbraw/zinc/18/48/11/1256184811.db2.gz NAWCKDMSBVYONP-OKZBNKHCSA-N 2 0 356.470 0.398 20 0 FCADRP CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001081158691 1256194506 /nfs/dbraw/zinc/19/45/06/1256194506.db2.gz VBUPQOYVWZMJPH-DLBZAZTESA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081173948 1256200596 /nfs/dbraw/zinc/20/05/96/1256200596.db2.gz WRHBGSGEESRNSN-JCGIZDLHSA-N 2 0 358.486 0.786 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001081190520 1256201381 /nfs/dbraw/zinc/20/13/81/1256201381.db2.gz GWLCLOSGIKWCIS-ZWKOTPCHSA-N 2 0 358.486 0.788 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC001081231695 1256212329 /nfs/dbraw/zinc/21/23/29/1256212329.db2.gz NJYVZLXLINLKMO-ZWKOTPCHSA-N 2 0 358.486 0.932 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082325853 1256666221 /nfs/dbraw/zinc/66/62/21/1256666221.db2.gz DFVZXFYKTGTOEU-USXIJHARSA-N 2 0 362.474 0.043 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082448487 1256765807 /nfs/dbraw/zinc/76/58/07/1256765807.db2.gz SAYOYZRCTLQSTN-BPLDGKMQSA-N 2 0 358.446 0.053 20 0 FCADRP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515317 1256799435 /nfs/dbraw/zinc/79/94/35/1256799435.db2.gz ITHDIJAYJLSBGE-XOKHGSTOSA-N 2 0 359.474 0.764 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)cn1 ZINC001082517777 1256800629 /nfs/dbraw/zinc/80/06/29/1256800629.db2.gz DWPZHWPJCYLXNF-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082592815 1256904988 /nfs/dbraw/zinc/90/49/88/1256904988.db2.gz YHFGFZXQRKYSNI-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082612651 1256923395 /nfs/dbraw/zinc/92/33/95/1256923395.db2.gz ZAOZLLUTMBLJTG-BRWVUGGUSA-N 2 0 365.522 0.569 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082653553 1256958579 /nfs/dbraw/zinc/95/85/79/1256958579.db2.gz QNUOIGIPIRWSBH-PWRQTXRISA-N 2 0 359.474 0.220 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082719681 1257010731 /nfs/dbraw/zinc/01/07/31/1257010731.db2.gz CFIJKPTWOJAXRH-BFYDXBDKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001082863470 1257113625 /nfs/dbraw/zinc/11/36/25/1257113625.db2.gz DPDWUOBSLCGKKJ-OWCLPIDISA-N 2 0 362.518 0.918 20 0 FCADRP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c1 ZINC001082920794 1257145688 /nfs/dbraw/zinc/14/56/88/1257145688.db2.gz FBOUYIFUZBSJSJ-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082943323 1257160658 /nfs/dbraw/zinc/16/06/58/1257160658.db2.gz DOLUEKWFOCFTFU-OAGGEKHMSA-N 2 0 364.490 0.446 20 0 FCADRP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083082435 1257281969 /nfs/dbraw/zinc/28/19/69/1257281969.db2.gz XPYHQVZLXCNIPL-YTQUADARSA-N 2 0 365.518 0.935 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001330890808 1266112394 /nfs/dbraw/zinc/11/23/94/1266112394.db2.gz PYFNIMHQSBBGCJ-UHFFFAOYSA-N 2 0 374.489 0.860 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)cn1 ZINC001083183108 1257444866 /nfs/dbraw/zinc/44/48/66/1257444866.db2.gz NNZKAYPGCCIKNJ-ZWKOTPCHSA-N 2 0 361.490 0.216 20 0 FCADRP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001521343015 1266115257 /nfs/dbraw/zinc/11/52/57/1266115257.db2.gz UXHLWVYOCNVZMR-SJLPKXTDSA-N 2 0 366.554 0.042 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777572 1257517252 /nfs/dbraw/zinc/51/72/52/1257517252.db2.gz CDHMFFLOEKLYGB-GJYPPUQNSA-N 2 0 371.497 0.787 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001331113408 1266149100 /nfs/dbraw/zinc/14/91/00/1266149100.db2.gz SPLGGDHZGGRHCA-FGTMMUONSA-N 2 0 358.486 0.806 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001331134541 1266155139 /nfs/dbraw/zinc/15/51/39/1266155139.db2.gz PZNLBIMSGLOTSS-ROUUACIJSA-N 2 0 358.486 0.808 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001084349601 1258043544 /nfs/dbraw/zinc/04/35/44/1258043544.db2.gz SMEBWBMQYUYJDG-CEXWTWQISA-N 2 0 370.497 0.760 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)n1 ZINC001084410136 1258089201 /nfs/dbraw/zinc/08/92/01/1258089201.db2.gz ZVFISTWMFFYKCZ-SJLPKXTDSA-N 2 0 360.506 0.912 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662280 1258225959 /nfs/dbraw/zinc/22/59/59/1258225959.db2.gz DAXZSZPUCDBIAQ-ZTFGCOKTSA-N 2 0 360.506 0.769 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084778281 1258320300 /nfs/dbraw/zinc/32/03/00/1258320300.db2.gz OKPLFVIUQACGGY-IAGOWNOFSA-N 2 0 358.490 0.523 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084777901 1258321057 /nfs/dbraw/zinc/32/10/57/1258321057.db2.gz VQRRQYMLYHHTHA-IAGOWNOFSA-N 2 0 360.502 0.627 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)CC[N@@H+]1C ZINC001084943623 1258456011 /nfs/dbraw/zinc/45/60/11/1258456011.db2.gz ONQPNMPWJPMFPV-AHCXZYCDSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032397 1258534955 /nfs/dbraw/zinc/53/49/55/1258534955.db2.gz FBHNAIICVFPQCE-BBWFWOEESA-N 2 0 363.506 0.419 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075201 1258569617 /nfs/dbraw/zinc/56/96/17/1258569617.db2.gz VDKOUWBANKBQHP-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnnn1C ZINC001087166115 1258635587 /nfs/dbraw/zinc/63/55/87/1258635587.db2.gz ZPFHLMAQWFWLDQ-PMPSAXMXSA-N 2 0 363.510 0.800 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172184 1258692723 /nfs/dbraw/zinc/69/27/23/1258692723.db2.gz ZCBYMXHZAWUXJL-IXDOHACOSA-N 2 0 360.502 0.483 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199832 1258720883 /nfs/dbraw/zinc/72/08/83/1258720883.db2.gz DTULGIFQTFYFKV-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001088201687 1258724007 /nfs/dbraw/zinc/72/40/07/1258724007.db2.gz PKDHPVLZZMVSBH-FGTMMUONSA-N 2 0 361.490 0.120 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088749075 1258756868 /nfs/dbraw/zinc/75/68/68/1258756868.db2.gz NCMBHLHAPMOAIB-JLSDUUJJSA-N 2 0 368.441 0.785 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)cc2)CC1 ZINC001331415181 1266212404 /nfs/dbraw/zinc/21/24/04/1266212404.db2.gz FXOCPYQNCDBULL-OAHLLOKOSA-N 2 0 361.490 0.881 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331416684 1266212685 /nfs/dbraw/zinc/21/26/85/1266212685.db2.gz VVTBUOJLIOGLFP-MRXNPFEDSA-N 2 0 373.501 0.801 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721222 1258817199 /nfs/dbraw/zinc/81/71/99/1258817199.db2.gz IBJNUQBCJBXVLV-IAGOWNOFSA-N 2 0 360.506 0.838 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331433016 1266216136 /nfs/dbraw/zinc/21/61/36/1266216136.db2.gz YGHHSUYIDCIQQC-ROUUACIJSA-N 2 0 367.538 0.422 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001100343903 1258908807 /nfs/dbraw/zinc/90/88/07/1258908807.db2.gz YUVCIBWABCYTBI-XSCHDIRWSA-N 2 0 363.462 0.746 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637439 1258920506 /nfs/dbraw/zinc/92/05/06/1258920506.db2.gz PQQIUYAQJZKLTD-IZBJGVDFSA-N 2 0 367.534 0.819 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n(C)n1 ZINC001106623523 1258929000 /nfs/dbraw/zinc/92/90/00/1258929000.db2.gz UNWMXPKVYHUZPH-UKRRQHHQSA-N 2 0 364.494 0.303 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106621278 1258929640 /nfs/dbraw/zinc/92/96/40/1258929640.db2.gz BQXXSQRUQYEFKI-UKRRQHHQSA-N 2 0 363.462 0.639 20 0 FCADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623410 1258929743 /nfs/dbraw/zinc/92/97/43/1258929743.db2.gz RSAZPMAIEZZCDV-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106665366 1258937113 /nfs/dbraw/zinc/93/71/13/1258937113.db2.gz UIJOFWLOHPSEJF-QLFBSQMISA-N 2 0 363.462 0.782 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665236 1258937307 /nfs/dbraw/zinc/93/73/07/1258937307.db2.gz NCEZYRQNOBMOOB-BRWVUGGUSA-N 2 0 367.538 0.862 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666460 1258937329 /nfs/dbraw/zinc/93/73/29/1258937329.db2.gz LJLYBWLNTCCSPJ-LZLYRXPVSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106673447 1258938919 /nfs/dbraw/zinc/93/89/19/1258938919.db2.gz ZDRWXYJOHNOUGU-KFWWJZLASA-N 2 0 366.506 0.454 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808914 1258967635 /nfs/dbraw/zinc/96/76/35/1258967635.db2.gz XNHPBWDHEPJRGQ-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106840319 1258974044 /nfs/dbraw/zinc/97/40/44/1258974044.db2.gz HTNRFISPAPLTFZ-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106878067 1258986347 /nfs/dbraw/zinc/98/63/47/1258986347.db2.gz FBPOUWHZGONAIS-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106885015 1258987614 /nfs/dbraw/zinc/98/76/14/1258987614.db2.gz OOHHLIUDZHFJDN-HUUCEWRRSA-N 2 0 361.490 0.924 20 0 FCADRP CCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106882470 1258987793 /nfs/dbraw/zinc/98/77/93/1258987793.db2.gz WKGVZQYSQYQRJM-RBSFLKMASA-N 2 0 367.494 0.955 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106983726 1259010887 /nfs/dbraw/zinc/01/08/87/1259010887.db2.gz GWQGLFRMATVCNT-HUUCEWRRSA-N 2 0 360.462 0.195 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001107030498 1259020470 /nfs/dbraw/zinc/02/04/70/1259020470.db2.gz IZMDHMLCFRURAP-QLFBSQMISA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107550190 1259114245 /nfs/dbraw/zinc/11/42/45/1259114245.db2.gz PGQKVJGQKRWWQA-ZHALLVOQSA-N 2 0 360.506 0.981 20 0 FCADRP Cc1nc[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107620858 1259136140 /nfs/dbraw/zinc/13/61/40/1259136140.db2.gz BEQQMQRFFVWTJG-VQIMIIECSA-N 2 0 359.474 0.900 20 0 FCADRP Cc1c(-c2cc(C[NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)on2)cnn1C ZINC001127639214 1259183187 /nfs/dbraw/zinc/18/31/87/1259183187.db2.gz VWAMJCXFCGLEIX-IUODEOHRSA-N 2 0 360.462 0.930 20 0 FCADRP COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001127643703 1259183290 /nfs/dbraw/zinc/18/32/90/1259183290.db2.gz HLYKHFDWPUCGIZ-RHSMWYFYSA-N 2 0 362.474 0.357 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccc(C)o2)CC[N@@H+]1C ZINC001127705729 1259184235 /nfs/dbraw/zinc/18/42/35/1259184235.db2.gz DGLRJDQGQUZMJX-DLBZAZTESA-N 2 0 364.490 0.983 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989808 1259285362 /nfs/dbraw/zinc/28/53/62/1259285362.db2.gz VMVQAKDNKJZZLW-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1)OC ZINC001129049217 1259299465 /nfs/dbraw/zinc/29/94/65/1259299465.db2.gz SGCOGHTVAAGLCC-OAGGEKHMSA-N 2 0 364.494 0.529 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129228310 1259348704 /nfs/dbraw/zinc/34/87/04/1259348704.db2.gz NATDXCUDBOVWCY-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)C[C@H]1O ZINC001160654769 1259386040 /nfs/dbraw/zinc/38/60/40/1259386040.db2.gz BGZLHKDLKDJYGN-OLMNPRSZSA-N 2 0 357.458 0.035 20 0 FCADRP C[NH+]1CCN(c2cc(-n3nc(-c4ccccc4)nc3CC[NH3+])ncn2)CC1 ZINC001168708534 1259390454 /nfs/dbraw/zinc/39/04/54/1259390454.db2.gz ZGGFGZCPWHKDQP-UHFFFAOYSA-N 2 0 364.457 0.977 20 0 FCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC001200345587 1259415464 /nfs/dbraw/zinc/41/54/64/1259415464.db2.gz IIWYTTUBWPMBCH-KRWDZBQOSA-N 2 0 355.490 0.980 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2ccccc2)C1=O ZINC001211669058 1259426126 /nfs/dbraw/zinc/42/61/26/1259426126.db2.gz HCNFKUJGCGGSBA-OKZBNKHCSA-N 2 0 358.486 0.753 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001211674771 1259426631 /nfs/dbraw/zinc/42/66/31/1259426631.db2.gz JOFJEVZETRKIAN-KSZLIROESA-N 2 0 360.502 0.999 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212406226 1259492007 /nfs/dbraw/zinc/49/20/07/1259492007.db2.gz LXJWOHIPFOHOMO-JFIYKMOQSA-N 2 0 366.506 0.155 20 0 FCADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(Cc1ccc(N3CC[NH2+]CC3)nc1)C2 ZINC001235146164 1259567970 /nfs/dbraw/zinc/56/79/70/1259567970.db2.gz IHFSWXHZKMZRRY-UHFFFAOYSA-N 2 0 368.489 0.177 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(CN2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198204 1259569476 /nfs/dbraw/zinc/56/94/76/1259569476.db2.gz CQRGOBNYYZTDTG-OAQYLSRUSA-N 2 0 374.529 0.673 20 0 FCADRP C[C@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206130 1259569813 /nfs/dbraw/zinc/56/98/13/1259569813.db2.gz RSBWRKHQISQVDF-LSDHHAIUSA-N 2 0 371.476 0.951 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001235594076 1259577945 /nfs/dbraw/zinc/57/79/45/1259577945.db2.gz POVFBLAXFYEAEP-UHFFFAOYSA-N 2 0 359.430 0.711 20 0 FCADRP C[NH+]1CCN(c2ccccc2CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235872004 1259584089 /nfs/dbraw/zinc/58/40/89/1259584089.db2.gz XPAHXOXMJFBXRT-UHFFFAOYSA-N 3 0 360.550 0.023 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cnc(OC)c(OC)c3)C[C@H]1C2 ZINC001236023439 1259585910 /nfs/dbraw/zinc/58/59/10/1259585910.db2.gz QCKGNICIGMXKGP-GJRWTSMGSA-N 2 0 361.442 0.929 20 0 FCADRP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1C ZINC001236027975 1259587668 /nfs/dbraw/zinc/58/76/68/1259587668.db2.gz QFRIDBCYQFPIGA-GJRWTSMGSA-N 2 0 361.442 0.642 20 0 FCADRP Cc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(C)c1OCCO ZINC001236311871 1259588914 /nfs/dbraw/zinc/58/89/14/1259588914.db2.gz NIUSJZWBJPVHGJ-UHFFFAOYSA-N 2 0 366.506 0.290 20 0 FCADRP COC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1OC ZINC001236312679 1259589414 /nfs/dbraw/zinc/58/94/14/1259589414.db2.gz XQCNAKDVCIOUHB-UHFFFAOYSA-N 2 0 366.462 0.098 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001335352294 1259620467 /nfs/dbraw/zinc/62/04/67/1259620467.db2.gz RZADFBAPYVODKP-CVEARBPZSA-N 2 0 374.485 0.259 20 0 FCADRP COC(=O)c1ccc(NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239296532 1259624087 /nfs/dbraw/zinc/62/40/87/1259624087.db2.gz QBLLAXXNMLXSOJ-UHFFFAOYSA-N 2 0 365.434 0.121 20 0 FCADRP C[NH+]1CCN(c2nccc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)n2)CC1 ZINC001240119674 1259626736 /nfs/dbraw/zinc/62/67/36/1259626736.db2.gz SQAGWHOKBABMAE-UHFFFAOYSA-N 2 0 366.469 0.941 20 0 FCADRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384213 1259636970 /nfs/dbraw/zinc/63/69/70/1259636970.db2.gz LKNCIDHJTQBCLM-QGZVFWFLSA-N 2 0 355.504 0.351 20 0 FCADRP O[C@]1(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981014 1259641992 /nfs/dbraw/zinc/64/19/92/1259641992.db2.gz PKFZBNLENLLTBG-PZJWPPBQSA-N 3 0 358.530 0.802 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246031656 1259645730 /nfs/dbraw/zinc/64/57/30/1259645730.db2.gz DKICRSJABFJLIH-OXJNMPFZSA-N 3 0 365.518 0.746 20 0 FCADRP CCS(=O)(=O)NCCC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001335400586 1259646482 /nfs/dbraw/zinc/64/64/82/1259646482.db2.gz RBPNOYLKHSGLBJ-KRWDZBQOSA-N 2 0 355.504 0.542 20 0 FCADRP COC(=O)[C@@H](N)[C@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052915 1259646547 /nfs/dbraw/zinc/64/65/47/1259646547.db2.gz MKMSRHNVUWFSBC-SJWGOKEGSA-N 2 0 371.428 0.408 20 0 FCADRP COC(=O)[C@H]1C[C@H]([NH2+]CCNCC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001246407739 1259652407 /nfs/dbraw/zinc/65/24/07/1259652407.db2.gz YYGKYNIFYMWMNL-YESZJQIVSA-N 2 0 363.458 0.436 20 0 FCADRP COc1ccc(CN2CC[C@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641961 1259657053 /nfs/dbraw/zinc/65/70/53/1259657053.db2.gz KHYAIRSWNSINAK-PXNSSMCTSA-N 2 0 358.486 0.824 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679933 1259658973 /nfs/dbraw/zinc/65/89/73/1259658973.db2.gz RDKCEXWIVPOJMB-SJLPKXTDSA-N 2 0 364.534 0.820 20 0 FCADRP O=C1COC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CN1c1ccccc1 ZINC001246706496 1259663653 /nfs/dbraw/zinc/66/36/53/1259663653.db2.gz VGYDFNRCAJAWEG-SFHVURJKSA-N 2 0 370.497 0.978 20 0 FCADRP O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246701281 1259663857 /nfs/dbraw/zinc/66/38/57/1259663857.db2.gz LQFMBHCMICSROB-BURFUSLBSA-N 2 0 374.485 0.469 20 0 FCADRP C[C@@H]1CC[C@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C[NH2+]1 ZINC001246712658 1259665629 /nfs/dbraw/zinc/66/56/29/1259665629.db2.gz XOTNVRTWFWDKOR-SOLBZPMBSA-N 2 0 362.522 0.967 20 0 FCADRP Fc1cccnc1N([C@H]1CO[C@]2(CC[NH2+]C2)C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246710338 1259665672 /nfs/dbraw/zinc/66/56/72/1259665672.db2.gz URBOZKNMVUQZPC-SPYBWZPUSA-N 2 0 361.465 0.642 20 0 FCADRP Fc1cccnc1N([C@@H]1CO[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246710339 1259665953 /nfs/dbraw/zinc/66/59/53/1259665953.db2.gz URBOZKNMVUQZPC-VCBZYWHSSA-N 2 0 361.465 0.642 20 0 FCADRP Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)n1 ZINC001246727504 1259671109 /nfs/dbraw/zinc/67/11/09/1259671109.db2.gz HSQLYORLUKBTFO-HOJAQTOUSA-N 2 0 372.513 0.949 20 0 FCADRP c1cnn(C[C@H]2CC[C@]3(COCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726767 1259671538 /nfs/dbraw/zinc/67/15/38/1259671538.db2.gz TZFZNDSWBGJADR-SCTDSRPQSA-N 2 0 361.490 0.227 20 0 FCADRP CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246736641 1259671936 /nfs/dbraw/zinc/67/19/36/1259671936.db2.gz ARMXMJDOTAGBEL-QZTJIDSGSA-N 2 0 369.513 0.956 20 0 FCADRP CC(C)C(=O)N[C@@H]1COCCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246742756 1259675718 /nfs/dbraw/zinc/67/57/18/1259675718.db2.gz DOWGSACAOULYFZ-IAGOWNOFSA-N 2 0 364.534 0.724 20 0 FCADRP O=C1CO[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2N1c1cccc(F)c1 ZINC001246746900 1259677386 /nfs/dbraw/zinc/67/73/86/1259677386.db2.gz PORTWPWWESCOTH-GVDBMIGSSA-N 2 0 360.433 0.336 20 0 FCADRP O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744113 1259677789 /nfs/dbraw/zinc/67/77/89/1259677789.db2.gz JFANLNBYTCTBBP-DLBZAZTESA-N 2 0 355.486 0.614 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21)c1cnccn1 ZINC001246771699 1259686974 /nfs/dbraw/zinc/68/69/74/1259686974.db2.gz YNPVHIRLNDCXGN-WWXPTJGASA-N 2 0 371.485 0.826 20 0 FCADRP O=C(c1cn([C@H]2CCNC3(C[NH2+]C3)C2)c2ccccc12)N1CC[NH2+]CC1 ZINC001246800366 1259689782 /nfs/dbraw/zinc/68/97/82/1259689782.db2.gz DHUKRXOXSOANMR-HNNXBMFYSA-N 2 0 353.470 0.953 20 0 FCADRP O=C1CC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CCN1Cc1ccccc1 ZINC001246822770 1259690666 /nfs/dbraw/zinc/69/06/66/1259690666.db2.gz SPRKIQOMIIRDBI-FQEVSTJZSA-N 2 0 373.545 0.652 20 0 FCADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859485 1259693084 /nfs/dbraw/zinc/69/30/84/1259693084.db2.gz PEAZRFJVZDIBPP-OMDXXEBNSA-N 2 0 366.458 0.428 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246857979 1259693602 /nfs/dbraw/zinc/69/36/02/1259693602.db2.gz KDRFXIAMHYUFCC-MSWPAXRKSA-N 2 0 365.474 0.001 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc([C@@]45C[NH2+]C[C@@H]4CCN5)n3)c2)CC1 ZINC001247833921 1259704819 /nfs/dbraw/zinc/70/48/19/1259704819.db2.gz SIKRPTFKGPTBHJ-HNAYVOBHSA-N 2 0 354.458 0.896 20 0 FCADRP CCOC[C@@H](O)C[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001252031798 1259775850 /nfs/dbraw/zinc/77/58/50/1259775850.db2.gz FCFHVTDQZZARLW-FQEVSTJZSA-N 2 0 368.566 0.560 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335718489 1259803235 /nfs/dbraw/zinc/80/32/35/1259803235.db2.gz ZSSIOJFSYSSNAB-INIZCTEOSA-N 2 0 353.511 0.714 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001253185049 1259827812 /nfs/dbraw/zinc/82/78/12/1259827812.db2.gz NMTPZMBJKDSITI-AWEZNQCLSA-N 2 0 367.494 0.027 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001253389978 1259838498 /nfs/dbraw/zinc/83/84/98/1259838498.db2.gz GWHGOBDZZXQYDD-TVFCKZIOSA-N 2 0 367.534 0.846 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001253388100 1259838812 /nfs/dbraw/zinc/83/88/12/1259838812.db2.gz BSZUPGBPIAFOKL-TVFCKZIOSA-N 2 0 367.534 0.942 20 0 FCADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C1CC[NH+](C2CC2)CC1 ZINC001256074167 1259931657 /nfs/dbraw/zinc/93/16/57/1259931657.db2.gz MXHUYMMNYPVBIS-IRXDYDNUSA-N 2 0 374.489 0.029 20 0 FCADRP CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@H]21 ZINC001256858761 1259976483 /nfs/dbraw/zinc/97/64/83/1259976483.db2.gz BOYNIDVHTMPIQJ-MSOLQXFVSA-N 2 0 359.474 0.181 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001522012410 1266299459 /nfs/dbraw/zinc/29/94/59/1266299459.db2.gz ZBIBTZUFLMMHCR-WMZOPIPTSA-N 2 0 367.538 0.103 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](C(C)C)CC2)C[C@H]1C(=O)OC ZINC001257721401 1260026325 /nfs/dbraw/zinc/02/63/25/1260026325.db2.gz UXPNTQOVTAYRLI-GVDBMIGSSA-N 2 0 369.506 0.733 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001261492073 1260149176 /nfs/dbraw/zinc/14/91/76/1260149176.db2.gz QAFKEEDUAVOEOZ-IRXDYDNUSA-N 2 0 362.474 0.242 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC001261495304 1260150060 /nfs/dbraw/zinc/15/00/60/1260150060.db2.gz ACJTYZNSTNPJNP-INIZCTEOSA-N 2 0 360.506 0.586 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC001336802308 1260226541 /nfs/dbraw/zinc/22/65/41/1260226541.db2.gz VABJTHZTWRPEJG-QAPCUYQASA-N 2 0 358.527 0.878 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001262062228 1260253566 /nfs/dbraw/zinc/25/35/66/1260253566.db2.gz URBKWTVVKSHMJK-RDJZCZTQSA-N 2 0 374.485 0.726 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001262066352 1260255007 /nfs/dbraw/zinc/25/50/07/1260255007.db2.gz ZBNQOLXVXJSMNZ-GOSISDBHSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071240 1260255608 /nfs/dbraw/zinc/25/56/08/1260255608.db2.gz UTVUDXOFAQTPLU-DDBAPUKQSA-N 2 0 358.486 0.724 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001336962070 1260269324 /nfs/dbraw/zinc/26/93/24/1260269324.db2.gz XIRHVXPVJNECJB-BBWFWOEESA-N 2 0 366.506 0.683 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978859 1260273581 /nfs/dbraw/zinc/27/35/81/1260273581.db2.gz XKYAQZKRSBLUPQ-JYJNAYRXSA-N 2 0 359.536 0.861 20 0 FCADRP O=C(NCc1cnn(CCF)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336988825 1260276989 /nfs/dbraw/zinc/27/69/89/1260276989.db2.gz BEJAPNWDPVGQFD-CALCHBBNSA-N 2 0 364.469 0.963 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024554 1260288801 /nfs/dbraw/zinc/28/88/01/1260288801.db2.gz UFRLTRMTSLRWTC-STQMWFEESA-N 2 0 351.417 0.606 20 0 FCADRP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC001262567324 1260328587 /nfs/dbraw/zinc/32/85/87/1260328587.db2.gz PJICEXJLSIJUKF-INIZCTEOSA-N 2 0 366.458 0.649 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001263103234 1260340948 /nfs/dbraw/zinc/34/09/48/1260340948.db2.gz SVUKZCIEJQRLBO-FQEVSTJZSA-N 2 0 373.545 0.604 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001263942634 1260357972 /nfs/dbraw/zinc/35/79/72/1260357972.db2.gz XYUNRBFEKSCSPP-FHLIZLRMSA-N 2 0 363.506 0.681 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001264647880 1260390292 /nfs/dbraw/zinc/39/02/92/1260390292.db2.gz WRKFFAMBGDVREU-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650326 1260443395 /nfs/dbraw/zinc/44/33/95/1260443395.db2.gz FEJNYIVBPVOIRI-APWZRJJASA-N 2 0 366.506 0.110 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650328 1260443884 /nfs/dbraw/zinc/44/38/84/1260443884.db2.gz FEJNYIVBPVOIRI-LPHOPBHVSA-N 2 0 366.506 0.110 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(Cl)n1 ZINC001337939401 1260521160 /nfs/dbraw/zinc/52/11/60/1260521160.db2.gz BDQWPRJRZSQGFK-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001338011677 1260536425 /nfs/dbraw/zinc/53/64/25/1260536425.db2.gz OLLDZJSVNJGOCH-LMMKCTJWSA-N 2 0 365.522 0.367 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCCC3)C[C@@H]21 ZINC001273141770 1260606539 /nfs/dbraw/zinc/60/65/39/1260606539.db2.gz SWVKENURBNLUGQ-FHWLQOOXSA-N 2 0 364.534 0.867 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183985 1260686849 /nfs/dbraw/zinc/68/68/49/1260686849.db2.gz UWGHWHNNKNLLBI-UXHICEINSA-N 2 0 366.550 0.973 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCCC4)CC3)[C@H]2C1 ZINC001278451852 1260693306 /nfs/dbraw/zinc/69/33/06/1260693306.db2.gz MXPBVFDWXHQRSL-IRXDYDNUSA-N 2 0 362.518 0.777 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478886 1260698172 /nfs/dbraw/zinc/69/81/72/1260698172.db2.gz DEISBZJZRYHIDL-PXNSSMCTSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279354975 1260846582 /nfs/dbraw/zinc/84/65/82/1260846582.db2.gz JQMWBZLGGZHZSL-LJQANCHMSA-N 2 0 362.522 0.447 20 0 FCADRP C[NH+](C)CCN1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501459 1260880651 /nfs/dbraw/zinc/88/06/51/1260880651.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 2 0 365.566 0.546 20 0 FCADRP O=C(C1=CNN2C=CNC=C12)N1C[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001279614936 1260899253 /nfs/dbraw/zinc/89/92/53/1260899253.db2.gz ICAJJJBBRMDJIE-MAUKXSAKSA-N 2 0 356.474 0.139 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001332288696 1266371596 /nfs/dbraw/zinc/37/15/96/1266371596.db2.gz QCASBKZUYGEBRB-OKZBNKHCSA-N 2 0 358.486 0.521 20 0 FCADRP COC(=O)CCC[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279883125 1260950437 /nfs/dbraw/zinc/95/04/37/1260950437.db2.gz BTUQIOWRHLWAKA-OIISXLGYSA-N 2 0 367.490 0.629 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C23CC([NH2+]Cc4cncnc4)(C2)C3)cn1 ZINC001279972813 1260977690 /nfs/dbraw/zinc/97/76/90/1260977690.db2.gz VAMHYOLLKIBZSZ-UHFFFAOYSA-N 2 0 355.446 0.886 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025616 1260980241 /nfs/dbraw/zinc/98/02/41/1260980241.db2.gz GBBQPGZFXPCDBO-SRABZTEZSA-N 2 0 367.490 0.485 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001280025284 1260980364 /nfs/dbraw/zinc/98/03/64/1260980364.db2.gz BYZSPFPDRMLSCS-RDDKANTKSA-N 2 0 367.490 0.220 20 0 FCADRP CN1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073295 1260990932 /nfs/dbraw/zinc/99/09/32/1260990932.db2.gz AKGHDNALLHPJNG-HXUWFJFHSA-N 2 0 365.566 0.500 20 0 FCADRP COCOCCC[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280090603 1260996944 /nfs/dbraw/zinc/99/69/44/1260996944.db2.gz WNSJGGHYFHKOFG-NJAFHUGGSA-N 2 0 369.506 0.687 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCn2ccnn2)CC1 ZINC001280124924 1261010556 /nfs/dbraw/zinc/01/05/56/1261010556.db2.gz ALYQWXPIMYSLJQ-BCDXTJNWSA-N 2 0 360.506 0.694 20 0 FCADRP C[NH+]1CCC(CC[NH+]2CC3(C[C@@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280140366 1261014207 /nfs/dbraw/zinc/01/42/07/1261014207.db2.gz JKGMOXDVFCWUEN-MRXNPFEDSA-N 2 0 358.490 0.674 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]12 ZINC001280139251 1261014304 /nfs/dbraw/zinc/01/43/04/1261014304.db2.gz FPJPGSLUZZDSRZ-IXDOHACOSA-N 2 0 366.506 0.900 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2COCCC23C[NH+](CC2CC[NH2+]CC2)C3)C[C@H](C)O1 ZINC001280138208 1261014502 /nfs/dbraw/zinc/01/45/02/1261014502.db2.gz VLVPMFSFEQUQHQ-SOLBZPMBSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2COCCC23C[NH+](CC2CC[NH2+]CC2)C3)C[C@@H](C)O1 ZINC001280138207 1261014552 /nfs/dbraw/zinc/01/45/52/1261014552.db2.gz VLVPMFSFEQUQHQ-NUJGCVRESA-N 2 0 365.518 0.960 20 0 FCADRP CC(=O)NCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169966 1261019647 /nfs/dbraw/zinc/01/96/47/1261019647.db2.gz OALUYELIYHMUBI-AZUAARDMSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCN1CC[C@@H](C(=O)N2CCC([NH+](C)C)CC2)n2nccc2C1 ZINC001280218077 1261036922 /nfs/dbraw/zinc/03/69/22/1261036922.db2.gz FBPGZDCTCXFYRK-SFHVURJKSA-N 2 0 362.522 0.744 20 0 FCADRP Cc1nc[nH]c1C[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280342250 1261059651 /nfs/dbraw/zinc/05/96/51/1261059651.db2.gz VKNWVJGBICWNAK-RDTXWAMCSA-N 2 0 357.462 0.937 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC001281710971 1261167225 /nfs/dbraw/zinc/16/72/25/1261167225.db2.gz YPLGOEMRJYSJCX-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC)[NH+](C)C ZINC001281862933 1261241332 /nfs/dbraw/zinc/24/13/32/1261241332.db2.gz MRZOYHXBXWNXNC-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1)[C@H]1CCC[NH2+]1 ZINC001332432346 1266403040 /nfs/dbraw/zinc/40/30/40/1266403040.db2.gz VDGRDTYCYKSXHE-SOUVJXGZSA-N 2 0 374.489 0.207 20 0 FCADRP CCOC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[nH]n1 ZINC001332436021 1266403674 /nfs/dbraw/zinc/40/36/74/1266403674.db2.gz LQRANLMMZPBPOH-UHFFFAOYSA-N 2 0 365.478 0.473 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001345116543 1261637354 /nfs/dbraw/zinc/63/73/54/1261637354.db2.gz VXJUSPGGYYBOBL-UHFFFAOYSA-N 2 0 373.501 0.896 20 0 FCADRP [NH3+]CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001580316675 1278118096 /nfs/dbraw/zinc/11/80/96/1278118096.db2.gz CZXMRNKZHLBDOC-OAHLLOKOSA-N 2 0 357.462 0.457 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001289512974 1262233052 /nfs/dbraw/zinc/23/30/52/1262233052.db2.gz VLLCILKAZUUOGV-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580343199 1278139196 /nfs/dbraw/zinc/13/91/96/1278139196.db2.gz CIIFIJGHXMYIDR-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001580343324 1278140415 /nfs/dbraw/zinc/14/04/15/1278140415.db2.gz JUEZPQIZOFUSCF-KBRIMQKVSA-N 2 0 369.473 0.755 20 0 FCADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304849594 1263152125 /nfs/dbraw/zinc/15/21/25/1263152125.db2.gz DSRNCRMCTGGAPP-HOCLYGCPSA-N 2 0 363.510 0.279 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001580387954 1278208509 /nfs/dbraw/zinc/20/85/09/1278208509.db2.gz IYXLJCVSDBOFGO-UKRRQHHQSA-N 2 0 369.473 0.945 20 0 FCADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001318923206 1263626101 /nfs/dbraw/zinc/62/61/01/1263626101.db2.gz CHZIBIOUGPYRQX-CQSZACIVSA-N 2 0 356.430 0.924 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC001321410969 1263955766 /nfs/dbraw/zinc/95/57/66/1263955766.db2.gz WKVMKNYOODSPLE-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001321526631 1263982976 /nfs/dbraw/zinc/98/29/76/1263982976.db2.gz ZZRWQEXGXVQVEJ-SJORKVTESA-N 2 0 367.538 0.119 20 0 FCADRP CCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001499060194 1264001701 /nfs/dbraw/zinc/00/17/01/1264001701.db2.gz ISYQUQLAYOSRPV-QFBILLFUSA-N 2 0 362.522 0.972 20 0 FCADRP CCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001499099585 1264003735 /nfs/dbraw/zinc/00/37/35/1264003735.db2.gz FFORTOYATTYTRK-SFHVURJKSA-N 2 0 350.511 0.828 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)COC1 ZINC001321806572 1264068542 /nfs/dbraw/zinc/06/85/42/1264068542.db2.gz QXYMGMPKWPSABA-FZKCQIBNSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC001322003503 1264128428 /nfs/dbraw/zinc/12/84/28/1264128428.db2.gz WWEDZLWSYRXMBL-IAGOWNOFSA-N 2 0 373.501 0.967 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001322406860 1264190571 /nfs/dbraw/zinc/19/05/71/1264190571.db2.gz QCWUZWGZPZRLLM-SJORKVTESA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC001512846801 1264691757 /nfs/dbraw/zinc/69/17/57/1264691757.db2.gz OLXOKNJISZFBDY-YYIAUSFCSA-N 2 0 362.518 0.728 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCOC2)CC1 ZINC001324937984 1264739129 /nfs/dbraw/zinc/73/91/29/1264739129.db2.gz OCFRDZSZQWHOBD-KRWDZBQOSA-N 2 0 368.522 0.213 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325424681 1264882370 /nfs/dbraw/zinc/88/23/70/1264882370.db2.gz VZIVGHULVYENPR-INIZCTEOSA-N 2 0 358.486 0.952 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070282 1264912455 /nfs/dbraw/zinc/91/24/55/1264912455.db2.gz SMIFHAQYSASICZ-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001325623058 1264950279 /nfs/dbraw/zinc/95/02/79/1264950279.db2.gz IULLSOJWSHOLJU-INMHGKMJSA-N 2 0 366.506 0.343 20 0 FCADRP CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001325906438 1265019830 /nfs/dbraw/zinc/01/98/30/1265019830.db2.gz RUHFBGGFBZRWID-ZWKOTPCHSA-N 2 0 373.501 0.871 20 0 FCADRP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001580406312 1278240346 /nfs/dbraw/zinc/24/03/46/1278240346.db2.gz FVPFFXGSYPGAAM-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1)[NH+](C)C ZINC001513387166 1265082933 /nfs/dbraw/zinc/08/29/33/1265082933.db2.gz YHGXHECHKHQWFK-BRWVUGGUSA-N 2 0 368.522 0.545 20 0 FCADRP CN(C(=O)c1cn(CCC[NH3+])nn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001326409068 1265109165 /nfs/dbraw/zinc/10/91/65/1265109165.db2.gz SICHYCYTOGVWHZ-UHFFFAOYSA-N 2 0 371.489 0.801 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@H]21 ZINC001326472047 1265118580 /nfs/dbraw/zinc/11/85/80/1265118580.db2.gz ICJFOHLQMDEHJW-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001326794074 1265167341 /nfs/dbraw/zinc/16/73/41/1265167341.db2.gz WILINXPKPTWTHH-SJLPKXTDSA-N 2 0 362.522 0.543 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001326794070 1265167635 /nfs/dbraw/zinc/16/76/35/1265167635.db2.gz WILINXPKPTWTHH-AEFFLSMTSA-N 2 0 362.522 0.543 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC001327470315 1265332931 /nfs/dbraw/zinc/33/29/31/1265332931.db2.gz METRMXVZKAZFIO-UHFFFAOYSA-N 2 0 374.533 0.533 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327487806 1265339912 /nfs/dbraw/zinc/33/99/12/1265339912.db2.gz WSZSWDWQJNZZSV-KRWDZBQOSA-N 2 0 358.442 0.598 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001332572772 1266432580 /nfs/dbraw/zinc/43/25/80/1266432580.db2.gz JHDQOVRXEPXASQ-KURKYZTESA-N 2 0 365.522 0.176 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC001333422275 1266598805 /nfs/dbraw/zinc/59/88/05/1266598805.db2.gz IGZPWWUBJCNYSJ-INIZCTEOSA-N 2 0 363.510 0.688 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001580417625 1278268953 /nfs/dbraw/zinc/26/89/53/1278268953.db2.gz FUXALLYCTMDKJH-OLZOCXBDSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001524176369 1266689606 /nfs/dbraw/zinc/68/96/06/1266689606.db2.gz MITKNJLEXFKKEG-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001333941484 1266751803 /nfs/dbraw/zinc/75/18/03/1266751803.db2.gz UJSHCTMWUHSWCU-ACHSLPGTSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001528095400 1266943925 /nfs/dbraw/zinc/94/39/25/1266943925.db2.gz VWLIGWRKOBBSLT-AYOQOUSVSA-N 2 0 358.486 0.258 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)[C@H](NC(N)=O)C(C)(C)C)CC2)CC1 ZINC001542526470 1267498040 /nfs/dbraw/zinc/49/80/40/1267498040.db2.gz PJSKEULLUZDTFJ-HNNXBMFYSA-N 2 0 353.511 0.744 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937103 1267774090 /nfs/dbraw/zinc/77/40/90/1267774090.db2.gz FDHCOWXTCYVICR-TZMCWYRMSA-N 2 0 358.450 0.404 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@H]3[N@@H+]3CC[C@H](O)C3)n2)CC1 ZINC001548998174 1267785586 /nfs/dbraw/zinc/78/55/86/1267785586.db2.gz TUTIOHXSVILVPF-LZLYRXPVSA-N 2 0 373.501 0.551 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1ccc(F)cc1 ZINC001549031385 1267791778 /nfs/dbraw/zinc/79/17/78/1267791778.db2.gz SECJWKDADTZQOD-JKSUJKDBSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047567 1267795161 /nfs/dbraw/zinc/79/51/61/1267795161.db2.gz SYRDSQQKWRZACW-LSDHHAIUSA-N 2 0 358.450 0.335 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001549048439 1267795986 /nfs/dbraw/zinc/79/59/86/1267795986.db2.gz JPZQZRQDPRRVDU-QZTJIDSGSA-N 2 0 353.470 0.995 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC001549132787 1267818085 /nfs/dbraw/zinc/81/80/85/1267818085.db2.gz RXWPJZQQUYSXGE-WCVJEAGWSA-N 2 0 362.478 0.704 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2cncn2C)C1 ZINC001549157887 1267834943 /nfs/dbraw/zinc/83/49/43/1267834943.db2.gz COYDTPYTOWGUKE-CPUCHLNUSA-N 2 0 362.478 0.771 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC001338348199 1267915188 /nfs/dbraw/zinc/91/51/88/1267915188.db2.gz XJUYPZIBQBIKCW-INIZCTEOSA-N 2 0 373.501 0.976 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001549736519 1267982864 /nfs/dbraw/zinc/98/28/64/1267982864.db2.gz XEZFUUQPGHJEQR-SJLPKXTDSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549739293 1267985045 /nfs/dbraw/zinc/98/50/45/1267985045.db2.gz OWBONCLDJUTHOU-ABSDTBQOSA-N 2 0 356.470 0.984 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549740191 1267985539 /nfs/dbraw/zinc/98/55/39/1267985539.db2.gz ILHRBOZDXUFNNF-DLBZAZTESA-N 2 0 374.489 0.011 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)c1cc2c(s1)CC[NH2+]C2 ZINC001549742503 1267985554 /nfs/dbraw/zinc/98/55/54/1267985554.db2.gz VINIZLSVIILYAT-CXAGYDPISA-N 2 0 362.499 0.770 20 0 FCADRP [NH3+]C[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC001549759698 1267991857 /nfs/dbraw/zinc/99/18/57/1267991857.db2.gz VCPRMKLIIRMOEZ-SFHVURJKSA-N 2 0 353.507 0.995 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC001549763465 1267996087 /nfs/dbraw/zinc/99/60/87/1267996087.db2.gz NGSPTCMKZSVVEM-NXHRZFHOSA-N 2 0 374.533 0.722 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998538 1268038831 /nfs/dbraw/zinc/03/88/31/1268038831.db2.gz AASJISQJNHIOHJ-FPOVZHCZSA-N 2 0 372.513 0.472 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001338686909 1268041097 /nfs/dbraw/zinc/04/10/97/1268041097.db2.gz KHVAFEAQWNBGPP-OALUTQOASA-N 2 0 357.502 0.985 20 0 FCADRP COc1ccc([C@H]2CN(C(=O)c3cnnn3C3CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC001550107878 1268074696 /nfs/dbraw/zinc/07/46/96/1268074696.db2.gz GIOULMYVNNZCSH-IAGOWNOFSA-N 2 0 370.457 0.778 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C)C[C@@H]2[NH3+])cc1 ZINC001550110074 1268075047 /nfs/dbraw/zinc/07/50/47/1268075047.db2.gz SJRQVYUNUCVADW-XIRDDKMYSA-N 2 0 370.457 0.696 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113306 1268075910 /nfs/dbraw/zinc/07/59/10/1268075910.db2.gz QVRDEXJDXXGSKH-OALUTQOASA-N 2 0 360.502 0.976 20 0 FCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001550204833 1268091987 /nfs/dbraw/zinc/09/19/87/1268091987.db2.gz SUOHPZPMGOBDSF-JKSUJKDBSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001338997080 1268143079 /nfs/dbraw/zinc/14/30/79/1268143079.db2.gz BQIVBCFBUMNYBE-IAGOWNOFSA-N 2 0 350.507 0.918 20 0 FCADRP Cn1cnc([C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@@H]2[NH3+])c1 ZINC001550742601 1268159470 /nfs/dbraw/zinc/15/94/70/1268159470.db2.gz ZNSOLTAXNXZLFT-IRXDYDNUSA-N 2 0 354.458 0.702 20 0 FCADRP C[N@@H+]1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]21 ZINC001550745789 1268160571 /nfs/dbraw/zinc/16/05/71/1268160571.db2.gz UKSMAAIMJOBTIL-RHQZKXFESA-N 2 0 358.486 0.839 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001550755188 1268162779 /nfs/dbraw/zinc/16/27/79/1268162779.db2.gz NRMGRZDLSBUSGN-ARFHVFGLSA-N 2 0 354.495 0.506 20 0 FCADRP O=C1CC[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914490 1268183919 /nfs/dbraw/zinc/18/39/19/1268183919.db2.gz YCACNNBVWQKPOW-HNAYVOBHSA-N 2 0 355.442 0.431 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC001550914803 1268184381 /nfs/dbraw/zinc/18/43/81/1268184381.db2.gz ZQWHAALTBRSTIS-QFBILLFUSA-N 2 0 362.449 0.678 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001551274513 1268219141 /nfs/dbraw/zinc/21/91/41/1268219141.db2.gz NIIKUEDRGLLEIR-UHFFFAOYSA-N 2 0 368.522 0.776 20 0 FCADRP CC[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CCOC ZINC001551466427 1268256462 /nfs/dbraw/zinc/25/64/62/1268256462.db2.gz XYVXLNKVFJYYSR-IRXDYDNUSA-N 2 0 368.522 0.897 20 0 FCADRP CC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CCOC ZINC001551466426 1268256721 /nfs/dbraw/zinc/25/67/21/1268256721.db2.gz XYVXLNKVFJYYSR-IAGOWNOFSA-N 2 0 368.522 0.897 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc(CN3CCC(C(N)=O)CC3)n2C)CC1 ZINC001339530306 1268262373 /nfs/dbraw/zinc/26/23/73/1268262373.db2.gz NVYOGXWMGMRDBT-UHFFFAOYSA-N 2 0 363.510 0.433 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551496154 1268262548 /nfs/dbraw/zinc/26/25/48/1268262548.db2.gz RBLNJAOXMUEVEB-RCCFBDPRSA-N 2 0 371.485 0.559 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)CC[C@H]21 ZINC001551556016 1268267695 /nfs/dbraw/zinc/26/76/95/1268267695.db2.gz QWRANLBMFDSEPN-KONPQCLYSA-N 2 0 363.506 0.369 20 0 FCADRP CC1(C)C[C@H]([NH3+])CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551557228 1268268390 /nfs/dbraw/zinc/26/83/90/1268268390.db2.gz URNFMOFHTNCIHO-OFQRWUPVSA-N 2 0 351.495 0.402 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556248 1268268745 /nfs/dbraw/zinc/26/87/45/1268268745.db2.gz SCENOBRYIDRUGF-HOCLYGCPSA-N 2 0 351.495 0.369 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558797 1268270119 /nfs/dbraw/zinc/27/01/19/1268270119.db2.gz ZZGHDCKRVWYHKF-NVXWUHKLSA-N 2 0 365.522 0.759 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551559871 1268270751 /nfs/dbraw/zinc/27/07/51/1268270751.db2.gz JTTDLLYBXBTDPJ-SNPRPXQTSA-N 2 0 363.428 0.464 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551561746 1268271875 /nfs/dbraw/zinc/27/18/75/1268271875.db2.gz KKDOPFIQFZYZKG-JFIYKMOQSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC001551568361 1268273375 /nfs/dbraw/zinc/27/33/75/1268273375.db2.gz JDPQLRDGBYIZFI-QGPMSJSTSA-N 2 0 365.522 0.807 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551582814 1268279043 /nfs/dbraw/zinc/27/90/43/1268279043.db2.gz UJFKNSVLNCPSLE-SJLPKXTDSA-N 2 0 365.522 0.664 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC001551586048 1268279616 /nfs/dbraw/zinc/27/96/16/1268279616.db2.gz BLVAQCINONFBPG-DPHWQOANSA-N 2 0 363.506 0.558 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551595543 1268282252 /nfs/dbraw/zinc/28/22/52/1268282252.db2.gz RGPJSKSUOSDBOB-BQFCYCMXSA-N 2 0 365.522 0.615 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H]([NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC001552163514 1268396106 /nfs/dbraw/zinc/39/61/06/1268396106.db2.gz GUBJUHUIRYOLGL-VJANTYMQSA-N 2 0 353.470 0.985 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cnn1C ZINC001552161242 1268396205 /nfs/dbraw/zinc/39/62/05/1268396205.db2.gz LCUNFBNIWBORDC-DLBZAZTESA-N 2 0 357.462 0.791 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cccc3c2CC[NH2+]C3)nn1 ZINC001552163052 1268396910 /nfs/dbraw/zinc/39/69/10/1268396910.db2.gz SAYVJFNEQVWJHC-YOEHRIQHSA-N 2 0 356.430 0.264 20 0 FCADRP Cc1cc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)n(C2CC[NH+](C)CC2)n1 ZINC001552167727 1268399094 /nfs/dbraw/zinc/39/90/94/1268399094.db2.gz QQYXPSXTYRSNGC-CQSZACIVSA-N 2 0 358.450 0.836 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cnn1C ZINC001552168418 1268400926 /nfs/dbraw/zinc/40/09/26/1268400926.db2.gz YHUHCMDPKWRVEL-NJAFHUGGSA-N 2 0 361.490 0.212 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@H]4COC5)n3)cn2)CC1 ZINC001552176905 1268402791 /nfs/dbraw/zinc/40/27/91/1268402791.db2.gz XNURRLXFJOZZKV-HNAYVOBHSA-N 2 0 370.457 0.761 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cn2)CC1 ZINC001552202240 1268409536 /nfs/dbraw/zinc/40/95/36/1268409536.db2.gz FSIGAZOSMBXJIF-VQIMIIECSA-N 2 0 359.474 0.076 20 0 FCADRP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001552215764 1268412226 /nfs/dbraw/zinc/41/22/26/1268412226.db2.gz LUHZENYHFGGHRM-CVEARBPZSA-N 2 0 361.494 0.053 20 0 FCADRP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001552215771 1268412693 /nfs/dbraw/zinc/41/26/93/1268412693.db2.gz LUHZENYHFGGHRM-JKSUJKDBSA-N 2 0 361.494 0.053 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@H]2C[NH2+]CCOC2)cc1F ZINC001552216533 1268413585 /nfs/dbraw/zinc/41/35/85/1268413585.db2.gz OZFFROLMVOQMNE-OFQRWUPVSA-N 2 0 351.422 0.632 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C[C@H]2[NH3+])cn1 ZINC001552236600 1268418883 /nfs/dbraw/zinc/41/88/83/1268418883.db2.gz WJUHJFRZVFIPFY-JCGIZDLHSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)[C@H]3C[C@H]3C3CC[NH2+]CC3)c2)nn1 ZINC001552275497 1268430763 /nfs/dbraw/zinc/43/07/63/1268430763.db2.gz PLAQSSQJVOXDLI-ROUUACIJSA-N 2 0 354.458 0.978 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C2(C[NH3+])CCCCC2)nn1 ZINC001552283796 1268433143 /nfs/dbraw/zinc/43/31/43/1268433143.db2.gz UPAGEFNENHSGAH-UKRRQHHQSA-N 2 0 350.467 0.100 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552429573 1268460927 /nfs/dbraw/zinc/46/09/27/1268460927.db2.gz IAOZHFDDVCUGNV-BBWFWOEESA-N 2 0 354.458 0.935 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435284 1268462082 /nfs/dbraw/zinc/46/20/82/1268462082.db2.gz CXTVTEHMIDXUIX-ZBFHGGJFSA-N 2 0 361.494 0.019 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001552435143 1268462484 /nfs/dbraw/zinc/46/24/84/1268462484.db2.gz FPMTZLZXRSJAHX-CQSZACIVSA-N 2 0 364.494 0.367 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)CC1 ZINC001552603568 1268486040 /nfs/dbraw/zinc/48/60/40/1268486040.db2.gz LGBXHHBTOVHPAU-IRXDYDNUSA-N 2 0 363.510 0.897 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340321784 1268510812 /nfs/dbraw/zinc/51/08/12/1268510812.db2.gz CMLOYWNZOFILIQ-APWZRJJASA-N 2 0 369.506 0.757 20 0 FCADRP C[NH2+]C[C@H]1C[C@H](F)CN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552837046 1268556847 /nfs/dbraw/zinc/55/68/47/1268556847.db2.gz AUMXTELOPCNBFA-GXSJLCMTSA-N 2 0 360.384 0.912 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552848889 1268559568 /nfs/dbraw/zinc/55/95/68/1268559568.db2.gz OJTICCMYBVNTKM-KLHDSHLOSA-N 2 0 362.478 0.493 20 0 FCADRP [NH3+]CCCSCCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001340485624 1268563844 /nfs/dbraw/zinc/56/38/44/1268563844.db2.gz UKIGMQCUZTXFBJ-HUUCEWRRSA-N 2 0 369.535 0.205 20 0 FCADRP O=C(N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552914834 1268565213 /nfs/dbraw/zinc/56/52/13/1268565213.db2.gz APLSUCKJMAUHOZ-AEFFLSMTSA-N 2 0 359.474 0.378 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1C[NH+](C)C ZINC001552969072 1268571677 /nfs/dbraw/zinc/57/16/77/1268571677.db2.gz XOFRDLPGMLXBJN-HOTGVXAUSA-N 3 0 352.523 0.295 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996638 1268574396 /nfs/dbraw/zinc/57/43/96/1268574396.db2.gz JSHFJGCFYRCCNT-OREBXVKISA-N 2 0 368.522 0.486 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375550 1268639447 /nfs/dbraw/zinc/63/94/47/1268639447.db2.gz RQBKXJZRFYJQDQ-LAUBAEHRSA-N 2 0 370.497 0.949 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@H]2C1 ZINC001553383558 1268640333 /nfs/dbraw/zinc/64/03/33/1268640333.db2.gz QMTBNVFYVXHHMP-KSSFIOAISA-N 2 0 364.877 0.727 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@H]2C1 ZINC001553392569 1268642918 /nfs/dbraw/zinc/64/29/18/1268642918.db2.gz XYTLIKYKVORFKZ-OXJNMPFZSA-N 2 0 372.469 0.639 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405046 1268645035 /nfs/dbraw/zinc/64/50/35/1268645035.db2.gz CVAPQVPJHCWVRT-CEXWTWQISA-N 2 0 358.486 0.570 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)[NH+]1CCN(C)CC1 ZINC001553415592 1268647138 /nfs/dbraw/zinc/64/71/38/1268647138.db2.gz AFGGPEYPINLVQF-IAGOWNOFSA-N 2 0 367.538 0.326 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@]4([NH3+])C3)cn2)CC1 ZINC001553429183 1268648107 /nfs/dbraw/zinc/64/81/07/1268648107.db2.gz VUHNUWKMWQLTMT-VQIMIIECSA-N 2 0 358.490 0.856 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449587 1268651290 /nfs/dbraw/zinc/65/12/90/1268651290.db2.gz GQSYJAHYZJJDMA-NVXWUHKLSA-N 3 0 365.522 0.304 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553444969 1268651751 /nfs/dbraw/zinc/65/17/51/1268651751.db2.gz YBDQUKRFDUFHGS-SJLPKXTDSA-N 2 0 372.517 0.974 20 0 FCADRP [NH3+][C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553454314 1268654304 /nfs/dbraw/zinc/65/43/04/1268654304.db2.gz JPMRRJODRUMJCS-WBVHZDCISA-N 2 0 366.506 0.637 20 0 FCADRP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)C[C@H]21 ZINC001553462040 1268655433 /nfs/dbraw/zinc/65/54/33/1268655433.db2.gz ZYCPTXPVPIICRK-LDLYASANSA-N 2 0 358.486 0.989 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)N[C@H]3C[C@H]3C3CC[NH2+]CC3)n2)C1 ZINC001553547957 1268667790 /nfs/dbraw/zinc/66/77/90/1268667790.db2.gz IEAWZYJONNGQAA-PVAVHDDUSA-N 2 0 358.490 0.806 20 0 FCADRP CC1(C)C[NH2+][C@@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001553556637 1268669323 /nfs/dbraw/zinc/66/93/23/1268669323.db2.gz XGDNZZHQRFTDFH-OAHLLOKOSA-N 2 0 365.522 0.890 20 0 FCADRP [NH3+]CCCSCCC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001340865772 1268686513 /nfs/dbraw/zinc/68/65/13/1268686513.db2.gz BIGKORMMGUGLJB-MRXNPFEDSA-N 2 0 358.552 0.371 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001340875809 1268690726 /nfs/dbraw/zinc/69/07/26/1268690726.db2.gz SKJVMSDSCIUMNA-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001341099555 1268784532 /nfs/dbraw/zinc/78/45/32/1268784532.db2.gz ZDSTZIFBAALAES-HOCLYGCPSA-N 2 0 350.463 0.630 20 0 FCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)c2)CC1 ZINC001341527215 1269056249 /nfs/dbraw/zinc/05/62/49/1269056249.db2.gz UQCUWQSAHNIKGT-IBGZPJMESA-N 2 0 357.458 0.043 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001341616703 1269112084 /nfs/dbraw/zinc/11/20/84/1269112084.db2.gz ACFAKDFLOBPVFB-QRWLVFNGSA-N 2 0 359.470 0.976 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001341663935 1269139361 /nfs/dbraw/zinc/13/93/61/1269139361.db2.gz JLJFNZPISFSVGZ-BRWVUGGUSA-N 2 0 368.522 0.279 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001341678280 1269147685 /nfs/dbraw/zinc/14/76/85/1269147685.db2.gz WNUYTEWCUAHIBR-GOSISDBHSA-N 3 0 367.538 0.151 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001341732073 1269174879 /nfs/dbraw/zinc/17/48/79/1269174879.db2.gz HTTMANHRASYXAY-OAHLLOKOSA-N 2 0 354.882 0.676 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C1)CC2 ZINC001341731697 1269175815 /nfs/dbraw/zinc/17/58/15/1269175815.db2.gz BINIEHAYAYYBCV-NUJGCVRESA-N 2 0 373.501 0.861 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001565603058 1269480204 /nfs/dbraw/zinc/48/02/04/1269480204.db2.gz AFVCBWOAUZYJJD-KRWDZBQOSA-N 2 0 352.523 0.441 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CCC3)CC[C@@H]2C1 ZINC001566047681 1269578286 /nfs/dbraw/zinc/57/82/86/1269578286.db2.gz LTBCEKPRHGNQJJ-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001342756198 1269592362 /nfs/dbraw/zinc/59/23/62/1269592362.db2.gz UWPWHJBVAWJDLL-UONOGXRCSA-N 2 0 350.467 0.951 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001342796959 1269613386 /nfs/dbraw/zinc/61/33/86/1269613386.db2.gz PNEPLDXTMFQMMD-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001343103464 1269773464 /nfs/dbraw/zinc/77/34/64/1269773464.db2.gz UACAKFNRMGETTH-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001343256096 1269832396 /nfs/dbraw/zinc/83/23/96/1269832396.db2.gz PJLWTTYPKPLQHB-ZACQAIPSSA-N 2 0 366.506 0.035 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001343740743 1269996399 /nfs/dbraw/zinc/99/63/99/1269996399.db2.gz QPAYZBQXPKIJCO-VYDXJSESSA-N 2 0 370.538 0.238 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)cc1 ZINC001344437168 1270180208 /nfs/dbraw/zinc/18/02/08/1270180208.db2.gz OFXHCXYVMHJKSL-ZXYDQQDNSA-N 2 0 358.442 0.636 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001572828455 1270208225 /nfs/dbraw/zinc/20/82/25/1270208225.db2.gz GIFZFVBNPTWAHV-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCc3ccccc3)CC2)C1 ZINC001344630767 1270212786 /nfs/dbraw/zinc/21/27/86/1270212786.db2.gz FVUDOZVZOKAXAZ-LJQANCHMSA-N 2 0 372.513 0.783 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001580612385 1278568457 /nfs/dbraw/zinc/56/84/57/1278568457.db2.gz YRZQUDNCFARZRG-JFIYKMOQSA-N 2 0 352.479 0.138 20 0 FCADRP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580617773 1278571725 /nfs/dbraw/zinc/57/17/25/1278571725.db2.gz KAFHGYPWZQLEAD-BZUAXINKSA-N 2 0 353.463 0.877 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574251523 1271119766 /nfs/dbraw/zinc/11/97/66/1271119766.db2.gz GVKFEVGLFCDHSX-CHWSQXEVSA-N 2 0 358.450 0.425 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001574251453 1271119891 /nfs/dbraw/zinc/11/98/91/1271119891.db2.gz DMWPGDISJIAXJU-HNNXBMFYSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574255375 1271125644 /nfs/dbraw/zinc/12/56/44/1271125644.db2.gz PQDNAUAEFGXACK-MRXNPFEDSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255961 1271127853 /nfs/dbraw/zinc/12/78/53/1271127853.db2.gz VZZDOYFMZFKITF-KBPBESRZSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261648 1271136344 /nfs/dbraw/zinc/13/63/44/1271136344.db2.gz KREMLUGTYBPRKG-DZGCQCFKSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543186 1271327461 /nfs/dbraw/zinc/32/74/61/1271327461.db2.gz GXHKVFQRJLJMLV-CHWSQXEVSA-N 2 0 360.466 0.719 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599192 1271402250 /nfs/dbraw/zinc/40/22/50/1271402250.db2.gz ZTTVQITUMLLSOR-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574670782 1271471360 /nfs/dbraw/zinc/47/13/60/1271471360.db2.gz CJCITEYPRPARLR-RDBSUJKOSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574803231 1271541035 /nfs/dbraw/zinc/54/10/35/1271541035.db2.gz BQZHCGCOHZHDLZ-RDBSUJKOSA-N 2 0 372.477 0.933 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574830641 1271577531 /nfs/dbraw/zinc/57/75/31/1271577531.db2.gz HGNJWPLHACLGON-SWLSCSKDSA-N 2 0 360.466 0.434 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574832414 1271580439 /nfs/dbraw/zinc/58/04/39/1271580439.db2.gz UVHQQUMGBAPBCB-XJKSGUPXSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001574837629 1271581956 /nfs/dbraw/zinc/58/19/56/1271581956.db2.gz CBFUTOYIMVTVCJ-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574853794 1271603738 /nfs/dbraw/zinc/60/37/38/1271603738.db2.gz SVVHYRBWNCLVIX-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853617 1271604622 /nfs/dbraw/zinc/60/46/22/1271604622.db2.gz RCXPOWIWOZWGIJ-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574854136 1271605137 /nfs/dbraw/zinc/60/51/37/1271605137.db2.gz ISDPLDJSGNXLMZ-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873312 1271625904 /nfs/dbraw/zinc/62/59/04/1271625904.db2.gz MVIXVWOKBKSGBU-CJNGLKHVSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896801 1271658999 /nfs/dbraw/zinc/65/89/99/1271658999.db2.gz INKRAXJBKQYZMT-QWHCGFSZSA-N 2 0 358.450 0.544 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[NH+]2CCC3(CCC[C@H]3C[NH3+])CC2)CC1 ZINC001574986952 1271688874 /nfs/dbraw/zinc/68/88/74/1271688874.db2.gz HZVKXOGCCFBAQL-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[NH+]2CCC3(CCC[C@@H]3C[NH3+])CC2)CC1 ZINC001574986953 1271689278 /nfs/dbraw/zinc/68/92/78/1271689278.db2.gz HZVKXOGCCFBAQL-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cnnn1C1C[NH2+]C1 ZINC001580661371 1278663414 /nfs/dbraw/zinc/66/34/14/1278663414.db2.gz TZNCYIAWMXQCSR-MRXNPFEDSA-N 2 0 356.430 0.053 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cn[nH]n3)C2)C1 ZINC001575276185 1271865205 /nfs/dbraw/zinc/86/52/05/1271865205.db2.gz PRSSCTRFOLZCNM-ZQIUZPCESA-N 2 0 352.458 0.797 20 0 FCADRP C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575403514 1272054633 /nfs/dbraw/zinc/05/46/33/1272054633.db2.gz WTGSZZZDWNNNSP-KGLIPLIRSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CCc2cn[nH]n2)C1 ZINC001575566660 1272202925 /nfs/dbraw/zinc/20/29/25/1272202925.db2.gz LEVLMSKUBYQHLT-HOTGVXAUSA-N 2 0 364.494 0.144 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C)([NH2+]Cc2cnn[nH]2)CC1 ZINC001575566529 1272203006 /nfs/dbraw/zinc/20/30/06/1272203006.db2.gz JORZOYWHRMLBEN-CQSZACIVSA-N 2 0 350.467 0.244 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2CC(=O)N(C)C)CC1 ZINC001575699053 1272321363 /nfs/dbraw/zinc/32/13/63/1272321363.db2.gz ZJSMNMLZFSBWRI-OAHLLOKOSA-N 2 0 363.510 0.364 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702731 1272327070 /nfs/dbraw/zinc/32/70/70/1272327070.db2.gz OYUOYPMVVMVSBF-WBVHZDCISA-N 2 0 364.494 0.776 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001580676509 1278699130 /nfs/dbraw/zinc/69/91/30/1278699130.db2.gz VVGIIAZCTAGSHU-XYJFISCASA-N 2 0 354.495 0.291 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001575715799 1272356411 /nfs/dbraw/zinc/35/64/11/1272356411.db2.gz KLQGRNDEGLHPQG-LSDHHAIUSA-N 2 0 363.510 0.684 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001575715797 1272358362 /nfs/dbraw/zinc/35/83/62/1272358362.db2.gz KLQGRNDEGLHPQG-HUUCEWRRSA-N 2 0 363.510 0.684 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@@H](C3CC3)[C@H]([NH3+])C2)n1C[C@@H](C)[NH+](C)C ZINC001575722901 1272380091 /nfs/dbraw/zinc/38/00/91/1272380091.db2.gz SLJOTQUYTGRVSN-VHDGCEQUSA-N 2 0 363.510 0.540 20 0 FCADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CCN(CC[NH3+])CC2)c1 ZINC001575740547 1272410673 /nfs/dbraw/zinc/41/06/73/1272410673.db2.gz XEGKAESEZXINMT-UHFFFAOYSA-N 2 0 354.520 0.886 20 0 FCADRP C[C@H](C[NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001575995855 1272668091 /nfs/dbraw/zinc/66/80/91/1272668091.db2.gz GARNEADLQVGZFI-QLFBSQMISA-N 2 0 361.494 0.499 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001576002893 1272683192 /nfs/dbraw/zinc/68/31/92/1272683192.db2.gz DNGMCGMPERSCPP-CYBMUJFWSA-N 2 0 357.499 0.964 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001576052337 1272782518 /nfs/dbraw/zinc/78/25/18/1272782518.db2.gz KYNKOPAWPQQOJG-CHWSQXEVSA-N 2 0 368.445 0.181 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@@]3(C)C2)CC1 ZINC001576103748 1272888564 /nfs/dbraw/zinc/88/85/64/1272888564.db2.gz FILUATCSHVZOJR-APWZRJJASA-N 2 0 360.506 0.859 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576116805 1272913056 /nfs/dbraw/zinc/91/30/56/1272913056.db2.gz YQZGWQOUKZLQBV-AAVRWANBSA-N 2 0 370.461 0.616 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576488547 1273337804 /nfs/dbraw/zinc/33/78/04/1273337804.db2.gz ANZOUXXGBFHZFI-XJKSGUPXSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576491320 1273347535 /nfs/dbraw/zinc/34/75/35/1273347535.db2.gz XCLXWZTYGMCPOY-CJNGLKHVSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498131 1273358171 /nfs/dbraw/zinc/35/81/71/1273358171.db2.gz JOJWDCRLBBXWEC-GDBMZVCRSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576504907 1273373338 /nfs/dbraw/zinc/37/33/38/1273373338.db2.gz BTUVENGIBACVLX-HNNXBMFYSA-N 2 0 372.477 0.995 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557686 1273436980 /nfs/dbraw/zinc/43/69/80/1273436980.db2.gz SRTJVGMIJOTPLW-JKSUJKDBSA-N 2 0 362.478 0.181 20 0 FCADRP C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCCC1 ZINC001576574620 1273454184 /nfs/dbraw/zinc/45/41/84/1273454184.db2.gz VLDYFMYQETXMOJ-SOUVJXGZSA-N 2 0 361.494 0.246 20 0 FCADRP CC[C@H](C(=O)N1CCC([N@H+](CCOC)CCc2c[nH]nn2)CC1)[NH+](C)C ZINC001576614869 1273483343 /nfs/dbraw/zinc/48/33/43/1273483343.db2.gz CNVCFCRLUDKZTM-QGZVFWFLSA-N 2 0 366.510 0.627 20 0 FCADRP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)C2=O ZINC001576669022 1273537641 /nfs/dbraw/zinc/53/76/41/1273537641.db2.gz KOMYPWOMJNNTOT-UIORMTCPSA-N 2 0 351.451 0.189 20 0 FCADRP C[C@H]1CCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715114 1273586715 /nfs/dbraw/zinc/58/67/15/1273586715.db2.gz SFFDZYRYDGYZMK-ILXRZTDVSA-N 2 0 361.494 0.512 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)N1CCNCC1=O ZINC001576760282 1273631914 /nfs/dbraw/zinc/63/19/14/1273631914.db2.gz NIRCHTWUEXPDAZ-BRWVUGGUSA-N 2 0 358.486 0.928 20 0 FCADRP C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576840002 1273778046 /nfs/dbraw/zinc/77/80/46/1273778046.db2.gz YFWAIWXXKODHHI-KDOFPFPSSA-N 2 0 350.511 0.731 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)C[C@H]1[NH3+] ZINC001576844694 1273787712 /nfs/dbraw/zinc/78/77/12/1273787712.db2.gz NNAAIJUBDUONQR-RBSFLKMASA-N 2 0 352.483 0.491 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3cn[nH]n3)C2)C1 ZINC001576874962 1273851051 /nfs/dbraw/zinc/85/10/51/1273851051.db2.gz AAICBTNTXGDCTB-BXWFABGCSA-N 2 0 360.506 0.907 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn[nH]2)CC1 ZINC001576884397 1273870873 /nfs/dbraw/zinc/87/08/73/1273870873.db2.gz WEOVMYSITIJZQM-OAHLLOKOSA-N 2 0 350.467 0.386 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576911023 1273926802 /nfs/dbraw/zinc/92/68/02/1273926802.db2.gz VNNJGSNBOSFBQQ-MCIONIFRSA-N 2 0 374.411 0.810 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C)C(=O)C1 ZINC001576994593 1274025855 /nfs/dbraw/zinc/02/58/55/1274025855.db2.gz GEFDPMLGTMAPJY-CABCVRRESA-N 2 0 363.510 0.711 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCc3cn[nH]n3)CCOCC2)CC[N@@H+]1C ZINC001577211630 1274251631 /nfs/dbraw/zinc/25/16/31/1274251631.db2.gz IHWBYORXKYMHIX-GJZGRUSLSA-N 2 0 364.494 0.333 20 0 FCADRP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001577476662 1274432791 /nfs/dbraw/zinc/43/27/91/1274432791.db2.gz AKURROYGMXHVDZ-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550281 1274489142 /nfs/dbraw/zinc/48/91/42/1274489142.db2.gz CGNHPYPAXVSESI-UONOGXRCSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551186 1274490740 /nfs/dbraw/zinc/49/07/40/1274490740.db2.gz QBBDRVRCBBVSKB-WBMJQRKESA-N 2 0 372.477 0.593 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554074 1274495738 /nfs/dbraw/zinc/49/57/38/1274495738.db2.gz PDIYJECYYULDNJ-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577560828 1274509248 /nfs/dbraw/zinc/50/92/48/1274509248.db2.gz ITIGUELQFSLHAR-UHFFFAOYSA-N 2 0 358.450 0.395 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562635 1274513736 /nfs/dbraw/zinc/51/37/36/1274513736.db2.gz CZQXTMXTAWAYND-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577563672 1274517711 /nfs/dbraw/zinc/51/77/11/1274517711.db2.gz WMBGJLSBSOJHSE-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563762 1274518087 /nfs/dbraw/zinc/51/80/87/1274518087.db2.gz ZYHDXBFLOSXEGJ-HDJSIYSDSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577565259 1274519825 /nfs/dbraw/zinc/51/98/25/1274519825.db2.gz LUXHCOIDAJMUCV-LLVKDONJSA-N 2 0 351.480 0.864 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577565110 1274520385 /nfs/dbraw/zinc/52/03/85/1274520385.db2.gz ILKPTNAGFLEZOK-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565407 1274522083 /nfs/dbraw/zinc/52/20/83/1274522083.db2.gz ULEPSOPTGFRNIX-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568185 1274527278 /nfs/dbraw/zinc/52/72/78/1274527278.db2.gz MWRRRRARLBXVCO-CYBMUJFWSA-N 2 0 360.466 0.674 20 0 FCADRP CCCN(CCNC(=O)C[NH+]1CCCC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577606840 1274578976 /nfs/dbraw/zinc/57/89/76/1274578976.db2.gz VQHILZJZJYNAEI-UHFFFAOYSA-N 2 0 372.477 0.999 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666319 1274684958 /nfs/dbraw/zinc/68/49/58/1274684958.db2.gz ZHHWERNOFIRLTQ-CZUORRHYSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577672823 1274704537 /nfs/dbraw/zinc/70/45/37/1274704537.db2.gz CUDBJZKRPRXZCU-HNNXBMFYSA-N 2 0 370.461 0.619 20 0 FCADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001577675164 1274712150 /nfs/dbraw/zinc/71/21/50/1274712150.db2.gz WPLQPJPWCYDJKQ-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(Nc1ccc(O)cc1)C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)C(=O)O2)CC1 ZINC001580767693 1278895615 /nfs/dbraw/zinc/89/56/15/1278895615.db2.gz ICFIVTYNOXQNSW-MRXNPFEDSA-N 2 0 359.426 0.948 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[NH2+][C@H](C)C2)C1 ZINC001577763566 1274846635 /nfs/dbraw/zinc/84/66/35/1274846635.db2.gz FBJMDJFCTOTQJP-HUUCEWRRSA-N 2 0 356.478 0.875 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H]([NH2+]C)C2)C1 ZINC001577764071 1274847689 /nfs/dbraw/zinc/84/76/89/1274847689.db2.gz PROXFBFFJQBKEQ-CABCVRRESA-N 2 0 356.478 0.875 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577855269 1275005129 /nfs/dbraw/zinc/00/51/29/1275005129.db2.gz AGYNGQQFAXCFBQ-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859962 1275022177 /nfs/dbraw/zinc/02/21/77/1275022177.db2.gz QGVACRVBEPMKTI-QWHCGFSZSA-N 2 0 360.466 0.639 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862724 1275031973 /nfs/dbraw/zinc/03/19/73/1275031973.db2.gz JIHSDOBJIXXBBY-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577866990 1275047526 /nfs/dbraw/zinc/04/75/26/1275047526.db2.gz RARGHTHHRKJHRM-UHFFFAOYSA-N 2 0 357.462 0.757 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867274 1275050586 /nfs/dbraw/zinc/05/05/86/1275050586.db2.gz ZIFCVVMMAWVRDR-CQSZACIVSA-N 2 0 372.477 0.936 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001577871910 1275060465 /nfs/dbraw/zinc/06/04/65/1275060465.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577872200 1275062220 /nfs/dbraw/zinc/06/22/20/1275062220.db2.gz WJCLPIZGMOWLHA-HDJSIYSDSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577885530 1275089540 /nfs/dbraw/zinc/08/95/40/1275089540.db2.gz GBFNIOAXZCOQND-CQSZACIVSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888155 1275094199 /nfs/dbraw/zinc/09/41/99/1275094199.db2.gz DXXPXHHSDBJLDZ-GOSISDBHSA-N 2 0 372.477 0.997 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577895518 1275105214 /nfs/dbraw/zinc/10/52/14/1275105214.db2.gz IQNOTGQKWNYPNA-HZPDHXFCSA-N 2 0 372.477 0.865 20 0 FCADRP CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577919636 1275125272 /nfs/dbraw/zinc/12/52/72/1275125272.db2.gz NUINWSXUJNVXOW-HNNXBMFYSA-N 2 0 360.466 0.790 20 0 FCADRP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577950000 1275170369 /nfs/dbraw/zinc/17/03/69/1275170369.db2.gz WDJYMSPJZDWUTR-ZDUSSCGKSA-N 2 0 358.450 0.464 20 0 FCADRP O=C(N[C@H](C[NH2+]CCc1cn[nH]n1)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001577974528 1275199368 /nfs/dbraw/zinc/19/93/68/1275199368.db2.gz IJFGXZAEAICAHN-QZTJIDSGSA-N 2 0 360.506 0.954 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002400 1275259890 /nfs/dbraw/zinc/25/98/90/1275259890.db2.gz WOADLVHQWWAIDA-MRXNPFEDSA-N 2 0 362.478 0.183 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001578136213 1275435201 /nfs/dbraw/zinc/43/52/01/1275435201.db2.gz OGWDAAAUXDBAOS-HNNXBMFYSA-N 2 0 370.461 0.286 20 0 FCADRP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001578144881 1275444813 /nfs/dbraw/zinc/44/48/13/1275444813.db2.gz SHBBTWAEEJQFMM-HRCADAONSA-N 2 0 366.510 0.851 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219763 1275517540 /nfs/dbraw/zinc/51/75/40/1275517540.db2.gz QCMHMJVILZFFIH-XJKSGUPXSA-N 2 0 372.477 0.865 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001578230862 1275531938 /nfs/dbraw/zinc/53/19/38/1275531938.db2.gz NKQIIRBYSSQZQN-WFASDCNBSA-N 2 0 356.492 0.838 20 0 FCADRP CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001578324025 1275667270 /nfs/dbraw/zinc/66/72/70/1275667270.db2.gz CZQSQWXWSSVKRS-HOTGVXAUSA-N 2 0 350.511 0.876 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC001578399017 1275774109 /nfs/dbraw/zinc/77/41/09/1275774109.db2.gz NALIWTVHNGPWGY-HNNXBMFYSA-N 2 0 353.511 0.700 20 0 FCADRP Cn1cccc1-c1nnc(N2CC[C@H]([NH3+])C2)n1CC1([NH+](C)C)CCOCC1 ZINC001578409019 1275781381 /nfs/dbraw/zinc/78/13/81/1275781381.db2.gz HZKPBQRRKGWMTL-HNNXBMFYSA-N 2 0 373.505 0.932 20 0 FCADRP C[NH+](C)C1(Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCNC(=O)CC2)CCC1 ZINC001578411197 1275783186 /nfs/dbraw/zinc/78/31/86/1275783186.db2.gz QSQNXPGRVQLVCY-OKILXGFUSA-N 2 0 361.494 0.293 20 0 FCADRP C[NH+](C)CCOCCn1c(C2CCC2)nnc1N1CCO[C@@H](C[NH3+])C1 ZINC001578419420 1275787467 /nfs/dbraw/zinc/78/74/67/1275787467.db2.gz RCIQDVUOBJRTEJ-HNNXBMFYSA-N 2 0 352.483 0.288 20 0 FCADRP CN(c1nnc([C@@H]2CCOC2)n1CCOCC[NH+](C)C)C1CC[NH2+]CC1 ZINC001578419457 1275787953 /nfs/dbraw/zinc/78/79/53/1275787953.db2.gz STSZATIPOMFGIQ-OAHLLOKOSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001578421578 1275790260 /nfs/dbraw/zinc/79/02/60/1275790260.db2.gz UWYPOMKKSXCGFY-ZDUSSCGKSA-N 2 0 355.389 0.966 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001578421977 1275790265 /nfs/dbraw/zinc/79/02/65/1275790265.db2.gz QWSLAYZGNCNDOQ-KNCOVGOOSA-N 2 0 370.461 0.461 20 0 FCADRP CN(C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)C(=O)OC(C)(C)C ZINC001578451870 1275847788 /nfs/dbraw/zinc/84/77/88/1275847788.db2.gz AJCUGJCWYGGMCX-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001578472194 1275884358 /nfs/dbraw/zinc/88/43/58/1275884358.db2.gz QWSLAYZGNCNDOQ-CTASWTNQSA-N 2 0 370.461 0.461 20 0 FCADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001578472293 1275885693 /nfs/dbraw/zinc/88/56/93/1275885693.db2.gz WAPOULSDKSZSOO-OAHLLOKOSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001578472314 1275886596 /nfs/dbraw/zinc/88/65/96/1275886596.db2.gz ZRJPYSLCVFJMSL-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001578521194 1275956043 /nfs/dbraw/zinc/95/60/43/1275956043.db2.gz MZSBECQDHNZTRU-UHFFFAOYSA-N 2 0 357.252 0.203 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N2CCC[C@H]2C(=O)N2CC[NH2+]CC2)CC1 ZINC001578523030 1275957164 /nfs/dbraw/zinc/95/71/64/1275957164.db2.gz FSOHJDVGUUUHJM-INIZCTEOSA-N 2 0 351.495 0.324 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH2+]CC2)C1 ZINC001578525553 1275957604 /nfs/dbraw/zinc/95/76/04/1275957604.db2.gz HFNILXPBDRKWTH-IBGZPJMESA-N 2 0 374.464 0.484 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)c2cnc(CC3CC[NH2+]CC3)s2)CC1 ZINC001578525637 1275958061 /nfs/dbraw/zinc/95/80/61/1275958061.db2.gz KSWSWJJVOLSANY-UHFFFAOYSA-N 2 0 352.504 0.872 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578525999 1275959052 /nfs/dbraw/zinc/95/90/52/1275959052.db2.gz WPZXJOJIQJKNMX-LPHOPBHVSA-N 2 0 371.489 0.116 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c2ccccc2)CC1 ZINC001578533644 1275964611 /nfs/dbraw/zinc/96/46/11/1275964611.db2.gz QPWCMOPPJLLZLE-OWCLPIDISA-N 2 0 352.429 0.931 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)c2)CC1 ZINC001578536437 1275965303 /nfs/dbraw/zinc/96/53/03/1275965303.db2.gz SOQYYLSLKPOCBP-AZUAARDMSA-N 2 0 358.486 0.429 20 0 FCADRP CN1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC[N@H+]2CC=CCC2)CC1=O ZINC001578536644 1275966612 /nfs/dbraw/zinc/96/66/12/1275966612.db2.gz DOHGQQZULBYLCO-GASCZTMLSA-N 2 0 359.478 0.023 20 0 FCADRP CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001578597022 1276029482 /nfs/dbraw/zinc/02/94/82/1276029482.db2.gz KFZLSTSEBQNCGU-CHWSQXEVSA-N 2 0 359.482 0.395 20 0 FCADRP C[NH2+][C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001578612084 1276048822 /nfs/dbraw/zinc/04/88/22/1276048822.db2.gz WKHHWZUHVHWBIK-INIZCTEOSA-N 2 0 373.505 0.574 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)CCOC)C1 ZINC001578615589 1276051536 /nfs/dbraw/zinc/05/15/36/1276051536.db2.gz NSYRTOWMQCNUNV-HZPDHXFCSA-N 2 0 366.510 0.548 20 0 FCADRP COC(=O)C1([C@]2(O)CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778256 1276261399 /nfs/dbraw/zinc/26/13/99/1276261399.db2.gz RDCXTGATTSDLHP-WDYCEAGBSA-N 2 0 352.475 0.925 20 0 FCADRP C[NH+](C)C1(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC1 ZINC001578966515 1276511173 /nfs/dbraw/zinc/51/11/73/1276511173.db2.gz VCFWKPAEKZRZIP-UHFFFAOYSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001578971514 1276516551 /nfs/dbraw/zinc/51/65/51/1276516551.db2.gz IVTACHKKLLRVSP-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP COC[C@]1(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC[NH2+]C1 ZINC001578972444 1276517621 /nfs/dbraw/zinc/51/76/21/1276517621.db2.gz LZYILNKACLUZIM-IBGZPJMESA-N 2 0 352.523 0.489 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001578972517 1276517883 /nfs/dbraw/zinc/51/78/83/1276517883.db2.gz PZUZSMNASQJOHH-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578974939 1276524692 /nfs/dbraw/zinc/52/46/92/1276524692.db2.gz XYRBYOQFRJNMEY-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578975983 1276525682 /nfs/dbraw/zinc/52/56/82/1276525682.db2.gz MMZMGHPAZCPJOQ-INIZCTEOSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578975749 1276526782 /nfs/dbraw/zinc/52/67/82/1276526782.db2.gz GLSNOZTYOBIZIG-DLBZAZTESA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001578976216 1276528037 /nfs/dbraw/zinc/52/80/37/1276528037.db2.gz RMKGJULZUCNZMH-IYBDPMFKSA-N 2 0 369.473 0.709 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001578976217 1276528245 /nfs/dbraw/zinc/52/82/45/1276528245.db2.gz ROIHKDGFMWOETR-INIZCTEOSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001578976472 1276528276 /nfs/dbraw/zinc/52/82/76/1276528276.db2.gz BDQITFCPKNPYBC-LBPRGKRZSA-N 2 0 363.491 0.961 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578978050 1276533502 /nfs/dbraw/zinc/53/35/02/1276533502.db2.gz DCSWLRBYZNASHT-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578978104 1276535650 /nfs/dbraw/zinc/53/56/50/1276535650.db2.gz DVCLMZRJYWFPMR-CHWSQXEVSA-N 2 0 358.450 0.475 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578981226 1276542196 /nfs/dbraw/zinc/54/21/96/1276542196.db2.gz UZBNVDSHQBWNAY-OSYLJGHBSA-N 2 0 369.473 0.612 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578982392 1276545860 /nfs/dbraw/zinc/54/58/60/1276545860.db2.gz NNUQDBUYRQCVRR-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578987577 1276557517 /nfs/dbraw/zinc/55/75/17/1276557517.db2.gz JVGHHSPWIMTBTG-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP COC[C@@H]1CN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001578990553 1276563425 /nfs/dbraw/zinc/56/34/25/1276563425.db2.gz ZHSSMVKBLKIPOW-JYJNAYRXSA-N 2 0 366.510 0.547 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)n2)C[C@H]1C[NH+](C)C ZINC001578991688 1276565628 /nfs/dbraw/zinc/56/56/28/1276565628.db2.gz DQMUDLJKBLMKAY-CHWSQXEVSA-N 2 0 373.465 0.465 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001578990991 1276565898 /nfs/dbraw/zinc/56/58/98/1276565898.db2.gz OZUFMBYENXIWTK-UHFFFAOYSA-N 2 0 366.495 0.563 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH2+]CC1 ZINC001579014126 1276588201 /nfs/dbraw/zinc/58/82/01/1276588201.db2.gz JHGXFQSJSPIYSN-MRXNPFEDSA-N 2 0 366.510 0.898 20 0 FCADRP COCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021274 1276599297 /nfs/dbraw/zinc/59/92/97/1276599297.db2.gz LKLWLZIPKKSPGZ-JKSUJKDBSA-N 2 0 366.510 0.548 20 0 FCADRP COCC[N@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC([NH3+])CC1 ZINC001579028792 1276611084 /nfs/dbraw/zinc/61/10/84/1276611084.db2.gz XFYPZJDOUKLLIK-OAHLLOKOSA-N 2 0 366.510 0.678 20 0 FCADRP COCCO[C@H](C)c1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001579053470 1276654683 /nfs/dbraw/zinc/65/46/83/1276654683.db2.gz QEHDTGRMMULRFX-QLFBSQMISA-N 2 0 354.499 0.750 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@@H](C)[NH+](C)C ZINC001579080582 1276705107 /nfs/dbraw/zinc/70/51/07/1276705107.db2.gz CTLVLSDLCIXNQT-UGUYLWEFSA-N 2 0 366.510 0.737 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001579120483 1276794284 /nfs/dbraw/zinc/79/42/84/1276794284.db2.gz FUESTKDREOTVRB-BRSBDYLESA-N 2 0 362.474 0.155 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579133081 1276827896 /nfs/dbraw/zinc/82/78/96/1276827896.db2.gz UQAGKIMWBIZULH-INIZCTEOSA-N 2 0 357.462 0.709 20 0 FCADRP COc1cc(NC(=O)NC[C@@]2(O)CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC001579164241 1276914806 /nfs/dbraw/zinc/91/48/06/1276914806.db2.gz HCHUYALHAMSBIC-QGZVFWFLSA-N 2 0 352.435 0.482 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579187624 1276956619 /nfs/dbraw/zinc/95/66/19/1276956619.db2.gz YOWIFVWXGQQOBL-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325280 1277143225 /nfs/dbraw/zinc/14/32/25/1277143225.db2.gz GYNOKLLFYGSRJY-UONOGXRCSA-N 2 0 370.461 0.498 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326257 1277148878 /nfs/dbraw/zinc/14/88/78/1277148878.db2.gz NTFSLPQSDNEQDN-IAGOWNOFSA-N 2 0 369.473 0.851 20 0 FCADRP CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327339 1277155530 /nfs/dbraw/zinc/15/55/30/1277155530.db2.gz QWXOBELQOJGMQR-ZIAGYGMSSA-N 2 0 370.461 0.641 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579327296 1277155709 /nfs/dbraw/zinc/15/57/09/1277155709.db2.gz ZFRSGFSNWPMUIO-HZPDHXFCSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327378 1277155827 /nfs/dbraw/zinc/15/58/27/1277155827.db2.gz RLSRFIHDTBWSDC-RDJZCZTQSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331256 1277160159 /nfs/dbraw/zinc/16/01/59/1277160159.db2.gz AADPTJWBEUMQSD-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579331382 1277160235 /nfs/dbraw/zinc/16/02/35/1277160235.db2.gz AZUPTVHMBJIDAN-ZDUSSCGKSA-N 2 0 370.461 0.689 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332880 1277165241 /nfs/dbraw/zinc/16/52/41/1277165241.db2.gz MHUWIEOKDYMLJH-APWZRJJASA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333017 1277165361 /nfs/dbraw/zinc/16/53/61/1277165361.db2.gz NRQHUTFTTXFHPT-KPZWWZAWSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333852 1277169174 /nfs/dbraw/zinc/16/91/74/1277169174.db2.gz SNAVQMYJUXHRFK-APWZRJJASA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334882 1277172784 /nfs/dbraw/zinc/17/27/84/1277172784.db2.gz ITRDDQZETXOMBE-ZIAGYGMSSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579335666 1277176502 /nfs/dbraw/zinc/17/65/02/1277176502.db2.gz TUKAZEOMRWSCTR-OAHLLOKOSA-N 2 0 355.446 0.366 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339771 1277183036 /nfs/dbraw/zinc/18/30/36/1277183036.db2.gz LYJDMTSEHGKJHO-MELADBBJSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339635 1277183317 /nfs/dbraw/zinc/18/33/17/1277183317.db2.gz LGMXLJWKQNFJPU-MWDXBVQZSA-N 2 0 367.457 0.365 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339967 1277185941 /nfs/dbraw/zinc/18/59/41/1277185941.db2.gz OQFYVUCGLSMBAF-DFBGVHRSSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339975 1277185993 /nfs/dbraw/zinc/18/59/93/1277185993.db2.gz OTJFDPLCDXACDK-HRCADAONSA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341393 1277189282 /nfs/dbraw/zinc/18/92/82/1277189282.db2.gz KARPDAZHJHECLY-ZBFHGGJFSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579345089 1277196548 /nfs/dbraw/zinc/19/65/48/1277196548.db2.gz UHWUKMATKGCEMK-AWEZNQCLSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345080 1277196756 /nfs/dbraw/zinc/19/67/56/1277196756.db2.gz UGLJVYYAHKWNKH-LRDDRELGSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579346905 1277199100 /nfs/dbraw/zinc/19/91/00/1277199100.db2.gz UIIMJWXHAKMLPP-AWEZNQCLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353887 1277217533 /nfs/dbraw/zinc/21/75/33/1277217533.db2.gz WBDYKPALEGOKDD-CZUORRHYSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359520 1277233464 /nfs/dbraw/zinc/23/34/64/1277233464.db2.gz WMKRRXDAWYMWCT-PREGVCBESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361433 1277237976 /nfs/dbraw/zinc/23/79/76/1277237976.db2.gz KVNLVZZJJKFKGG-MJBXVCDLSA-N 2 0 370.461 0.617 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361724 1277238213 /nfs/dbraw/zinc/23/82/13/1277238213.db2.gz PSDCNIGSIXJXTH-VVLHAWIVSA-N 2 0 367.457 0.507 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363197 1277241046 /nfs/dbraw/zinc/24/10/46/1277241046.db2.gz XMVDKEKUWUOUMB-IJEWVQPXSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369951 1277253788 /nfs/dbraw/zinc/25/37/88/1277253788.db2.gz DCAXXWFUYVERQE-XJKSGUPXSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381343 1277260623 /nfs/dbraw/zinc/26/06/23/1277260623.db2.gz UWAIRXLDFAQIBG-VYDXJSESSA-N 2 0 367.457 0.856 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001579490365 1277402302 /nfs/dbraw/zinc/40/23/02/1277402302.db2.gz OGHAZHNNWICYNU-AWEZNQCLSA-N 2 0 350.467 0.342 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CCn1cncn1 ZINC001713467242 1287281094 /nfs/dbraw/zinc/28/10/94/1287281094.db2.gz FTIAJRUJGCIWFX-MSOLQXFVSA-N 2 0 356.474 0.672 20 0 FCADRP Cc1cc(NC(=O)N2CCOC3(C[NH2+]C3)C2)ccc1N1CC[NH+](C)CC1 ZINC001579630405 1277687596 /nfs/dbraw/zinc/68/75/96/1277687596.db2.gz TYUMTWWAHRHVAJ-UHFFFAOYSA-N 2 0 359.474 0.953 20 0 FCADRP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015152 1277990943 /nfs/dbraw/zinc/99/09/43/1277990943.db2.gz NQNHZEMBXOBXIW-TZMCWYRMSA-N 2 0 373.461 0.421 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580270823 1278064481 /nfs/dbraw/zinc/06/44/81/1278064481.db2.gz GJNXSMVCRPRARV-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580272817 1278065288 /nfs/dbraw/zinc/06/52/88/1278065288.db2.gz OZPQSLUCJOEJTB-ZDUSSCGKSA-N 2 0 355.446 0.557 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(F)(F)F ZINC001580283453 1278084667 /nfs/dbraw/zinc/08/46/67/1278084667.db2.gz PIRWZXDQAMJULS-AVGNSLFASA-N 2 0 352.401 0.943 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCn1c(C)csc1=O ZINC001714587291 1287327211 /nfs/dbraw/zinc/32/72/11/1287327211.db2.gz UCIBADHIBDQDFE-HUUCEWRRSA-N 2 0 354.520 0.997 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940500 1279148490 /nfs/dbraw/zinc/14/84/90/1279148490.db2.gz AHROAFKTUCUXMG-ZDUSSCGKSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948209 1279153734 /nfs/dbraw/zinc/15/37/34/1279153734.db2.gz PMSCJNXBBYZHPK-OAHLLOKOSA-N 2 0 370.461 0.464 20 0 FCADRP Cc1cc(N(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949940 1279156487 /nfs/dbraw/zinc/15/64/87/1279156487.db2.gz URNBSTUKZJMQMT-ZDUSSCGKSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956139 1279160313 /nfs/dbraw/zinc/16/03/13/1279160313.db2.gz GUUYJWQVPTVQKS-ZDUSSCGKSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962355 1279167238 /nfs/dbraw/zinc/16/72/38/1279167238.db2.gz SXAGUKIICPKDQP-CYBMUJFWSA-N 2 0 370.461 0.749 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988782 1279188189 /nfs/dbraw/zinc/18/81/89/1279188189.db2.gz URQHAOMJPZKJDO-MLGOLLRUSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990618 1279192271 /nfs/dbraw/zinc/19/22/71/1279192271.db2.gz GNWBYMGAPUSUCK-LBPRGKRZSA-N 2 0 360.466 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991795 1279196323 /nfs/dbraw/zinc/19/63/23/1279196323.db2.gz WGVGVFAFQOFMOF-STQMWFEESA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003237 1279220879 /nfs/dbraw/zinc/22/08/79/1279220879.db2.gz LDBUSOKYNXZMOM-UHFFFAOYSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006135 1279225389 /nfs/dbraw/zinc/22/53/89/1279225389.db2.gz LKQYBNZJGGIQAF-ZIAGYGMSSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010182 1279236431 /nfs/dbraw/zinc/23/64/31/1279236431.db2.gz GPTVLGCDGNMQEW-TZMCWYRMSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011961 1279238108 /nfs/dbraw/zinc/23/81/08/1279238108.db2.gz PYLCYERDIQSPNL-CJNGLKHVSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022578 1279253181 /nfs/dbraw/zinc/25/31/81/1279253181.db2.gz CVVDMAJAKMIJKA-BBRMVZONSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028241 1279263344 /nfs/dbraw/zinc/26/33/44/1279263344.db2.gz MSIANXUDKWMZEX-KBPBESRZSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030767 1279268186 /nfs/dbraw/zinc/26/81/86/1279268186.db2.gz MQEQBUWQJHYHTA-WCQYABFASA-N 2 0 358.450 0.250 20 0 FCADRP C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603501011 1287393764 /nfs/dbraw/zinc/39/37/64/1287393764.db2.gz HTBVPXXOPREEKD-ZDUSSCGKSA-N 2 0 360.466 0.674 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582046313 1280968790 /nfs/dbraw/zinc/96/87/90/1280968790.db2.gz DTEGISOVJSKOQF-CQSZACIVSA-N 2 0 370.461 0.572 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100796 1281057919 /nfs/dbraw/zinc/05/79/19/1281057919.db2.gz OSPOULUDIVWAOA-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001604198689 1287586845 /nfs/dbraw/zinc/58/68/45/1287586845.db2.gz RJUANCHLSNFYLJ-MRXNPFEDSA-N 2 0 374.493 0.887 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198608 1287587377 /nfs/dbraw/zinc/58/73/77/1287587377.db2.gz OOSQNLPPEIXMOS-STQMWFEESA-N 2 0 360.466 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001589676645 1282936076 /nfs/dbraw/zinc/93/60/76/1282936076.db2.gz MDLQAZQDIWWKCT-VOTSOKGWSA-N 2 0 357.462 0.969 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCC[NH+](C)C ZINC001589846330 1283080266 /nfs/dbraw/zinc/08/02/66/1283080266.db2.gz GIXJHPONTDRSRI-CYBMUJFWSA-N 2 0 360.466 0.935 20 0 FCADRP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001590370743 1283506840 /nfs/dbraw/zinc/50/68/40/1283506840.db2.gz UHQXXNRGRVXKKA-SQRWCISFSA-N 2 0 357.462 0.969 20 0 FCADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001590370741 1283507285 /nfs/dbraw/zinc/50/72/85/1283507285.db2.gz UHQXXNRGRVXKKA-KJPDOMRESA-N 2 0 357.462 0.969 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495040 1283623754 /nfs/dbraw/zinc/62/37/54/1283623754.db2.gz KSRXEZWTHDRHFY-OWCLPIDISA-N 2 0 366.506 0.031 20 0 FCADRP CCC[NH2+]CCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590637569 1283679634 /nfs/dbraw/zinc/67/96/34/1283679634.db2.gz AEIZMQTYXCFHMX-UHFFFAOYSA-N 2 0 374.493 0.940 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CC[N@@H+]1C ZINC001590862436 1283932988 /nfs/dbraw/zinc/93/29/88/1283932988.db2.gz AQKRMQBEVMVJJI-CMPLNLGQSA-N 2 0 361.454 0.411 20 0 FCADRP C[N@H+](CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001591038767 1284099920 /nfs/dbraw/zinc/09/99/20/1284099920.db2.gz QYFBAJLMTFWNQP-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071030 1284131022 /nfs/dbraw/zinc/13/10/22/1284131022.db2.gz KSDAXNZJBRYNDT-OAHLLOKOSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175200 1284261328 /nfs/dbraw/zinc/26/13/28/1284261328.db2.gz JCGFIDLNALKQDB-ZZKXABKFSA-N 2 0 361.475 0.642 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001591175178 1284263367 /nfs/dbraw/zinc/26/33/67/1284263367.db2.gz NGAMRGQTKYREKU-QGZVFWFLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175592 1284267143 /nfs/dbraw/zinc/26/71/43/1284267143.db2.gz QDSJZTOIMLZXSU-CHWSQXEVSA-N 2 0 356.434 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178594 1284277097 /nfs/dbraw/zinc/27/70/97/1284277097.db2.gz WTDLGEKMXUTHAT-MCIONIFRSA-N 2 0 373.436 0.694 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC1CC[NH+](C)CC1 ZINC001591178753 1284279120 /nfs/dbraw/zinc/27/91/20/1284279120.db2.gz OHIGJMJAAHIHLZ-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP C[NH+]1CCC(O)(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001591181143 1284281756 /nfs/dbraw/zinc/28/17/56/1284281756.db2.gz USARGDCTYZRIDF-UHFFFAOYSA-N 2 0 371.489 0.882 20 0 FCADRP C[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[NH+](C)C1 ZINC001591184811 1284293527 /nfs/dbraw/zinc/29/35/27/1284293527.db2.gz PMHPVOWYDCNYDW-CABCVRRESA-N 2 0 360.462 0.880 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591215426 1284350681 /nfs/dbraw/zinc/35/06/81/1284350681.db2.gz JENXHNGAVXMBKE-CQSZACIVSA-N 2 0 374.493 0.795 20 0 FCADRP C[NH2+]CCC1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591218239 1284354470 /nfs/dbraw/zinc/35/44/70/1284354470.db2.gz MTUUDXOPNJPVHP-HNNXBMFYSA-N 2 0 360.462 0.928 20 0 FCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1-c1nn[nH]n1 ZINC001591217459 1284354630 /nfs/dbraw/zinc/35/46/30/1284354630.db2.gz FLYDMCMHSGIRBS-LBPRGKRZSA-N 2 0 361.454 0.553 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001591561403 1284733009 /nfs/dbraw/zinc/73/30/09/1284733009.db2.gz GRCMEFKBRFPNSS-OAHLLOKOSA-N 2 0 373.461 0.518 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001591561565 1284736095 /nfs/dbraw/zinc/73/60/95/1284736095.db2.gz JGPGOUSKDAQPGT-ZDUSSCGKSA-N 2 0 373.461 0.423 20 0 FCADRP Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC001591849452 1284949849 /nfs/dbraw/zinc/94/98/49/1284949849.db2.gz UZFBIKNGSBIGIP-UHFFFAOYSA-N 2 0 357.462 0.737 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592004439 1285055602 /nfs/dbraw/zinc/05/56/02/1285055602.db2.gz MAMLMKYKKZBIGG-GXTWGEPZSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(NCCCNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047551 1285090159 /nfs/dbraw/zinc/09/01/59/1285090159.db2.gz MNZPQGQGKZZPAJ-UHFFFAOYSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592055131 1285097636 /nfs/dbraw/zinc/09/76/36/1285097636.db2.gz VXNSSZJGJBPXGX-AWEZNQCLSA-N 2 0 370.461 0.491 20 0 FCADRP CN(CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604765426 1287771712 /nfs/dbraw/zinc/77/17/12/1287771712.db2.gz IAFXJPCLPHFCGN-KGLIPLIRSA-N 2 0 372.477 0.935 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001592747422 1285667539 /nfs/dbraw/zinc/66/75/39/1285667539.db2.gz MHYMUGQCFVLTLZ-INIZCTEOSA-N 2 0 353.434 0.797 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001592747614 1285668398 /nfs/dbraw/zinc/66/83/98/1285668398.db2.gz VNSSTFYZQJCCFF-IYOUNJFTSA-N 2 0 358.446 0.667 20 0 FCADRP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592864024 1285767140 /nfs/dbraw/zinc/76/71/40/1285767140.db2.gz VVXBXLGRNCIYGW-OWOJBTEDSA-N 2 0 373.436 0.864 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001609267984 1289031367 /nfs/dbraw/zinc/03/13/67/1289031367.db2.gz BURVTZUFDZAFDV-MRXNPFEDSA-N 2 0 372.477 0.677 20 0 FCADRP O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593086449 1285986173 /nfs/dbraw/zinc/98/61/73/1285986173.db2.gz QWELLFLAQFCXBE-MRXNPFEDSA-N 2 0 373.436 0.553 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC001703076322 1286091087 /nfs/dbraw/zinc/09/10/87/1286091087.db2.gz DDLBUPZWYYWZOW-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C23CCC[NH+]2CCC3)C2CC2)CC[N@@H+]1C ZINC001703848041 1286153172 /nfs/dbraw/zinc/15/31/72/1286153172.db2.gz PQQXLMVDOYSTLJ-DJIMGWMZSA-N 2 0 362.518 0.966 20 0 FCADRP O[C@@H](C[NH2+]C1CCN(c2ccccc2-c2nn[nH]n2)CC1)C[NH+]1CCCC1 ZINC001593505915 1286184231 /nfs/dbraw/zinc/18/42/31/1286184231.db2.gz ULWLWQXBXGIGCY-INIZCTEOSA-N 2 0 371.489 0.882 20 0 FCADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504941 1286185238 /nfs/dbraw/zinc/18/52/38/1286185238.db2.gz HBYZEZZFBNENAU-XJKSGUPXSA-N 2 0 358.446 0.680 20 0 FCADRP OC[C@H]1CCC[N@@H+]1Cc1cc(C[NH+]2CCC[C@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529618 1286193981 /nfs/dbraw/zinc/19/39/81/1286193981.db2.gz WCQKRICBMQAUTF-HDICACEKSA-N 2 0 372.473 0.780 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001707126511 1286462090 /nfs/dbraw/zinc/46/20/90/1286462090.db2.gz IAMGCEVCXSTQTO-HYVNUMGLSA-N 2 0 351.495 0.681 20 0 FCADRP C[C@@H](C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001603015647 1287185510 /nfs/dbraw/zinc/18/55/10/1287185510.db2.gz QYYOHBOWWRVQPH-AWEZNQCLSA-N 2 0 372.477 0.866 20 0 FCADRP C[C@@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001603017521 1287187262 /nfs/dbraw/zinc/18/72/62/1287187262.db2.gz UUGPMCGVQGKAKG-ZDUSSCGKSA-N 2 0 358.450 0.476 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)n2)(N2CCOCC2)CC1 ZINC001604854400 1287799970 /nfs/dbraw/zinc/79/99/70/1287799970.db2.gz NWHZNKZYFPVEAL-UHFFFAOYSA-N 2 0 372.477 0.148 20 0 FCADRP C[NH2+]CCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604892459 1287808659 /nfs/dbraw/zinc/80/86/59/1287808659.db2.gz OIRYABLUNUABED-UHFFFAOYSA-N 2 0 372.477 0.694 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604892896 1287809638 /nfs/dbraw/zinc/80/96/38/1287809638.db2.gz WKFMMYLHCCFDHW-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001719244106 1287937022 /nfs/dbraw/zinc/93/70/22/1287937022.db2.gz SWLLNDNRWAAEIT-HUUCEWRRSA-N 2 0 354.495 0.012 20 0 FCADRP Cc1cc(N(C)CCCNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687909 1288050779 /nfs/dbraw/zinc/05/07/79/1288050779.db2.gz BVIKMFLOGZGPSG-UHFFFAOYSA-N 2 0 360.466 0.853 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605719976 1288059436 /nfs/dbraw/zinc/05/94/36/1288059436.db2.gz NHQNMCQFGQMBAG-MGPQQGTHSA-N 2 0 372.477 0.591 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001719304255 1288073256 /nfs/dbraw/zinc/07/32/56/1288073256.db2.gz UBCDQNWGIYDZBK-BBWFWOEESA-N 2 0 368.522 0.138 20 0 FCADRP [NH3+]C/C=C\CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606438454 1288318286 /nfs/dbraw/zinc/31/82/86/1288318286.db2.gz UIUCGPDYWIASER-UPHRSURJSA-N 2 0 370.461 0.599 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001724851596 1288452397 /nfs/dbraw/zinc/45/23/97/1288452397.db2.gz NJIVTRPMQZOGDG-OWCLPIDISA-N 2 0 359.536 0.542 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001732062935 1288573117 /nfs/dbraw/zinc/57/31/17/1288573117.db2.gz CKPRNXBCTCIBTF-GUDVDZBRSA-N 2 0 366.550 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001734018637 1288638092 /nfs/dbraw/zinc/63/80/92/1288638092.db2.gz UYTZYFQKMDYGFE-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP OCC[NH+](Cc1cc(C[N@@H+](CCO)C2CC2)cc(-c2nn[nH]n2)c1)C1CC1 ZINC001607107537 1288664716 /nfs/dbraw/zinc/66/47/16/1288664716.db2.gz JKXKJNLEDHFLDT-UHFFFAOYSA-N 2 0 372.473 0.780 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001735722908 1288800588 /nfs/dbraw/zinc/80/05/88/1288800588.db2.gz VKLPHDDXLVEVDC-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609228120 1289001734 /nfs/dbraw/zinc/00/17/34/1289001734.db2.gz BFALCDIQNISVFG-MAUKXSAKSA-N 2 0 373.505 0.763 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1OC ZINC001735896211 1289004673 /nfs/dbraw/zinc/00/46/73/1289004673.db2.gz ALWXSUDXKIMCJA-IXDOHACOSA-N 2 0 368.522 0.543 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001609237100 1289010185 /nfs/dbraw/zinc/01/01/85/1289010185.db2.gz TUNHDBXZYWILCC-ZDUSSCGKSA-N 2 0 359.438 0.356 20 0 FCADRP FC(F)(F)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N1CC[NH2+]CC1 ZINC001609483655 1289177917 /nfs/dbraw/zinc/17/79/17/1289177917.db2.gz OXMUHGKSZBIGQC-CYBMUJFWSA-N 2 0 355.368 0.792 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001691917383 1289341249 /nfs/dbraw/zinc/34/12/49/1289341249.db2.gz GTQHMDICAZEJKM-IXDOHACOSA-N 2 0 366.506 0.062 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236738 1289435195 /nfs/dbraw/zinc/43/51/95/1289435195.db2.gz NCWCPZOVDWYTHW-NJAFHUGGSA-N 2 0 368.522 0.593 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692281183 1289441475 /nfs/dbraw/zinc/44/14/75/1289441475.db2.gz UWRXUMDYKUGPDV-KURKYZTESA-N 2 0 364.534 0.977 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001698706894 1289533274 /nfs/dbraw/zinc/53/32/74/1289533274.db2.gz DFMPZJPUTUVZGX-AIEDFZFUSA-N 2 0 367.494 0.188 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)CC[N@@H+]1C ZINC001699257876 1289548047 /nfs/dbraw/zinc/54/80/47/1289548047.db2.gz FLBXKVNMZGEFQS-PRXHZCDDSA-N 2 0 358.446 0.125 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H]3CCN(C(C)C)C3=O)CC2)CC[N@@H+]1C ZINC001699651811 1289560017 /nfs/dbraw/zinc/56/00/17/1289560017.db2.gz RWTSALNEFNWJRV-ARFHVFGLSA-N 2 0 350.507 0.964 20 0 FCADRP COCCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001739117366 1289809398 /nfs/dbraw/zinc/80/93/98/1289809398.db2.gz RILWTIHCFZCDAJ-NVXWUHKLSA-N 2 0 368.522 0.260 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739458497 1290035789 /nfs/dbraw/zinc/03/57/89/1290035789.db2.gz YXWZQWIXWMCXJJ-IXDOHACOSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001702323670 1290046503 /nfs/dbraw/zinc/04/65/03/1290046503.db2.gz IMQLPUCSIUUHPS-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001739469716 1290058251 /nfs/dbraw/zinc/05/82/51/1290058251.db2.gz ADURGVOLPXXSRU-HZPDHXFCSA-N 2 0 370.538 0.384 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001739629668 1290263476 /nfs/dbraw/zinc/26/34/76/1290263476.db2.gz JXXSIZVQYFIBFF-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001756203738 1290650746 /nfs/dbraw/zinc/65/07/46/1290650746.db2.gz TVDGRVRMRKTCAL-NNPSNHGLSA-N 2 0 364.534 0.878 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1OC ZINC001757148228 1290726475 /nfs/dbraw/zinc/72/64/75/1290726475.db2.gz FTFFIWMMCINXCV-MWDXBVQZSA-N 2 0 368.522 0.401 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001757247540 1290750788 /nfs/dbraw/zinc/75/07/88/1290750788.db2.gz PGCXXGXEHRCFRY-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001757478155 1290775620 /nfs/dbraw/zinc/77/56/20/1290775620.db2.gz ZNKPFCPYUOUDOL-SJORKVTESA-N 2 0 362.518 0.731 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC001643457930 1290894219 /nfs/dbraw/zinc/89/42/19/1290894219.db2.gz BITYQMSHMVWDPJ-QGZVFWFLSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001688679651 1294519317 /nfs/dbraw/zinc/51/93/17/1294519317.db2.gz NDYDXAKKCMNBRP-NVXWUHKLSA-N 2 0 350.507 0.633 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001689035553 1294581095 /nfs/dbraw/zinc/58/10/95/1294581095.db2.gz BXHZVQXRHQWWOZ-RYQLBKOJSA-N 2 0 363.506 0.682 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689072415 1294593163 /nfs/dbraw/zinc/59/31/63/1294593163.db2.gz BFDHUGKLAVWKCG-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001689071534 1294593236 /nfs/dbraw/zinc/59/32/36/1294593236.db2.gz XIRLBKBNIGBIAH-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC(=O)NC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001689990338 1294848718 /nfs/dbraw/zinc/84/87/18/1294848718.db2.gz QUIXOQHAOJUIIT-LSDHHAIUSA-N 2 0 367.494 0.143 20 0 FCADRP COc1coc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151629 1294860818 /nfs/dbraw/zinc/86/08/18/1294860818.db2.gz PLYRLCPMSYYRNM-DAXOMENPSA-N 2 0 363.458 0.973 20 0 FCADRP c1ccc(CC[NH+]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)nc1 ZINC001165053795 722010006 /nfs/dbraw/zinc/01/00/06/722010006.db2.gz LIIGMNYMEHHRSM-UHFFFAOYSA-N 2 0 353.474 0.646 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070357607 837648971 /nfs/dbraw/zinc/64/89/71/837648971.db2.gz VZWFJZGMZCGRRR-IHRRRGAJSA-N 2 0 350.467 0.243 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001070354572 837649010 /nfs/dbraw/zinc/64/90/10/837649010.db2.gz PRTQAHJKTMUXOV-MQYQWHSLSA-N 2 0 350.467 0.243 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001070377281 837650701 /nfs/dbraw/zinc/65/07/01/837650701.db2.gz PIVBBVGRTABOJR-AEFFLSMTSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070382757 837651386 /nfs/dbraw/zinc/65/13/86/837651386.db2.gz PGNXCMRTWGGHBC-QAPCUYQASA-N 2 0 354.470 0.527 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001071082825 837729252 /nfs/dbraw/zinc/72/92/52/837729252.db2.gz QVYZAMOXNCEPHW-QGTPRVQTSA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001100343827 844051976 /nfs/dbraw/zinc/05/19/76/844051976.db2.gz VNMHWSDLTXOEFG-BLYZHGLHSA-N 2 0 365.503 0.906 20 0 FCADRP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379656525 836049598 /nfs/dbraw/zinc/04/95/98/836049598.db2.gz PKHXBOWEZHQEAZ-DOTOQJQBSA-N 2 0 352.504 0.779 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000382757023 836051165 /nfs/dbraw/zinc/05/11/65/836051165.db2.gz PZOFTOSLBGGCMQ-INIZCTEOSA-N 2 0 352.504 0.733 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828927 836154112 /nfs/dbraw/zinc/15/41/12/836154112.db2.gz BESOHWMLTAYMPO-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000747469674 836245056 /nfs/dbraw/zinc/24/50/56/836245056.db2.gz HUMUENCRQSJNQK-WMLDXEAASA-N 2 0 356.467 0.334 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345219 844153872 /nfs/dbraw/zinc/15/38/72/844153872.db2.gz ZOPPPIHTNWSJCU-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363499 844159626 /nfs/dbraw/zinc/15/96/26/844159626.db2.gz WLLNDZLJYCIMAS-LMMKCTJWSA-N 2 0 355.523 0.896 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368659 844163105 /nfs/dbraw/zinc/16/31/05/844163105.db2.gz GNCBNSJXOCBQSF-GJYPPUQNSA-N 2 0 355.523 0.752 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101382701 844168146 /nfs/dbraw/zinc/16/81/46/844168146.db2.gz SMZOZOWXTUYTAY-MJGOQNOKSA-N 2 0 353.507 0.508 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC3CCOCC3)C[C@@]2(C)C1 ZINC001101432722 844185605 /nfs/dbraw/zinc/18/56/05/844185605.db2.gz YATVLJNPHGOVRC-MJGOQNOKSA-N 2 0 353.507 0.772 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101435249 844185748 /nfs/dbraw/zinc/18/57/48/844185748.db2.gz FSBOMBLSGCAKRK-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101440847 844186909 /nfs/dbraw/zinc/18/69/09/844186909.db2.gz XLCYRYDCWGLGGL-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474414 844199058 /nfs/dbraw/zinc/19/90/58/844199058.db2.gz YEGQIWQTLGDEPU-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474274 844199208 /nfs/dbraw/zinc/19/92/08/844199208.db2.gz QQKCVHZGGKCPTL-GJYPPUQNSA-N 2 0 350.507 0.907 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065409607 836837980 /nfs/dbraw/zinc/83/79/80/836837980.db2.gz LVNTZSSYPYTQDR-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076407412 837997180 /nfs/dbraw/zinc/99/71/80/837997180.db2.gz CKOYSKUEBQEYCA-SOLBZPMBSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974769 844357268 /nfs/dbraw/zinc/35/72/68/844357268.db2.gz PHRIVUKSMYFTQP-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982808 844360221 /nfs/dbraw/zinc/36/02/21/844360221.db2.gz KFHWSHJYYYUZJI-KLHDSHLOSA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976141 844357820 /nfs/dbraw/zinc/35/78/20/844357820.db2.gz KRSDQCZCYDXHBV-DJIMGWMZSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044963 844394423 /nfs/dbraw/zinc/39/44/23/844394423.db2.gz MBMYNZPGBZHAEG-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047605 844394866 /nfs/dbraw/zinc/39/48/66/844394866.db2.gz MUCUCBKUPLGQRD-QGPMSJSTSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048614 844395901 /nfs/dbraw/zinc/39/59/01/844395901.db2.gz ILZUTKUSXFVXNQ-KBRIMQKVSA-N 2 0 350.507 0.537 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001077618748 839072900 /nfs/dbraw/zinc/07/29/00/839072900.db2.gz RVDLJDHNKNHVJS-KURKYZTESA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059447 844399605 /nfs/dbraw/zinc/39/96/05/844399605.db2.gz PPBIKEYJPAJQOH-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778284 839152048 /nfs/dbraw/zinc/15/20/48/839152048.db2.gz ASGOYLCVJQSUPL-HZPDHXFCSA-N 2 0 366.531 0.887 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102089986 844409277 /nfs/dbraw/zinc/40/92/77/844409277.db2.gz WMYNCYRSGXPCBP-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119261 844423180 /nfs/dbraw/zinc/42/31/80/844423180.db2.gz CXGXQMUWHDBQSP-HZPDHXFCSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCCO1 ZINC001078402564 839457203 /nfs/dbraw/zinc/45/72/03/839457203.db2.gz RLCBSDDRFOILIT-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001079732280 839583246 /nfs/dbraw/zinc/58/32/46/839583246.db2.gz IUCBRGMZAMPXBA-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264765 844454021 /nfs/dbraw/zinc/45/40/21/844454021.db2.gz YNNSOZWRNNBPJQ-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102264544 844454304 /nfs/dbraw/zinc/45/43/04/844454304.db2.gz OUFFBQLODBFZAT-KZNAEPCWSA-N 2 0 355.523 0.801 20 0 FCADRP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102294456 844459630 /nfs/dbraw/zinc/45/96/30/844459630.db2.gz ZARKKDIDVYFZJE-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294120 844459855 /nfs/dbraw/zinc/45/98/55/844459855.db2.gz KOXKLPZPCKMPFU-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320502 844466663 /nfs/dbraw/zinc/46/66/63/844466663.db2.gz FTDDKGRCGWWGFA-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375363 844479393 /nfs/dbraw/zinc/47/93/93/844479393.db2.gz FCBBIUCMMBOJRH-HZPDHXFCSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670309 839994801 /nfs/dbraw/zinc/99/48/01/839994801.db2.gz NLPAOEOLTLPETA-RCCFBDPRSA-N 2 0 351.491 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496445 844531361 /nfs/dbraw/zinc/53/13/61/844531361.db2.gz WEWHFFWMULSHDJ-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP C[C@H](C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)CS(C)(=O)=O ZINC001102514481 844546254 /nfs/dbraw/zinc/54/62/54/844546254.db2.gz YQYDWTCSZWKXPU-BZUAXINKSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082719951 840536341 /nfs/dbraw/zinc/53/63/41/840536341.db2.gz YRHXNTPGGXOEMH-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082719969 840537147 /nfs/dbraw/zinc/53/71/47/840537147.db2.gz ZJSBBXJGYOADKG-HLLBOEOZSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001082828139 840576124 /nfs/dbraw/zinc/57/61/24/840576124.db2.gz UQAKPWYAFKBOEK-SOLBZPMBSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001082828873 840576949 /nfs/dbraw/zinc/57/69/49/840576949.db2.gz NMAVOIGWAKSRGD-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082920874 840602184 /nfs/dbraw/zinc/60/21/84/840602184.db2.gz JRDJXDNIBIQPJM-UMVBOHGHSA-N 2 0 369.487 0.571 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001082921560 840603950 /nfs/dbraw/zinc/60/39/50/840603950.db2.gz URHKIZZCRFOYTP-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244750 840827911 /nfs/dbraw/zinc/82/79/11/840827911.db2.gz IISZRUALNOABMT-FHLIZLRMSA-N 2 0 351.491 0.401 20 0 FCADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244751 840828533 /nfs/dbraw/zinc/82/85/33/840828533.db2.gz IISZRUALNOABMT-JCGIZDLHSA-N 2 0 351.491 0.401 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596425 844586814 /nfs/dbraw/zinc/58/68/14/844586814.db2.gz FJJWGJOVNNARHH-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600615 844591801 /nfs/dbraw/zinc/59/18/01/844591801.db2.gz MYGPDVCOWXFYGP-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522252 841119662 /nfs/dbraw/zinc/11/96/62/841119662.db2.gz ZNRHKHBQDYSMEG-NXHRZFHOSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083749587 841391551 /nfs/dbraw/zinc/39/15/51/841391551.db2.gz HOKNOBVDQBGBHV-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP O=C(N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958830 841604192 /nfs/dbraw/zinc/60/41/92/841604192.db2.gz YCXQQIFDSBNKBF-IKGGRYGDSA-N 2 0 351.491 0.185 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833469 861219957 /nfs/dbraw/zinc/21/99/57/861219957.db2.gz IMZUSWPMEDKVRZ-IBGZPJMESA-N 3 0 352.523 0.583 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H](C1)O2 ZINC001275860143 861230122 /nfs/dbraw/zinc/23/01/22/861230122.db2.gz MUSVPRDIMLTNAG-HDICACEKSA-N 2 0 350.507 0.334 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275880145 861246167 /nfs/dbraw/zinc/24/61/67/861246167.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 2 0 352.523 0.441 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957696 841970076 /nfs/dbraw/zinc/97/00/76/841970076.db2.gz QTGHDMQLFNJPEV-ZACQAIPSSA-N 2 0 350.507 0.633 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)C3([NH+](C)C)CC3)(C1)C2 ZINC001275942445 861263667 /nfs/dbraw/zinc/26/36/67/861263667.db2.gz XPPMIGFRVQZRSF-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)CC1 ZINC001085319535 842076222 /nfs/dbraw/zinc/07/62/22/842076222.db2.gz BKLHZHIVFNYHEW-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085332539 842078878 /nfs/dbraw/zinc/07/88/78/842078878.db2.gz BRYJBRDYFYWEFE-BZUAXINKSA-N 2 0 351.495 0.370 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085332295 842079034 /nfs/dbraw/zinc/07/90/34/842079034.db2.gz RNNQFEPBRXMNEK-ARFHVFGLSA-N 2 0 351.495 0.513 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1 ZINC001085353066 842083677 /nfs/dbraw/zinc/08/36/77/842083677.db2.gz LLGJWDGCCOITAA-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001085606418 842107857 /nfs/dbraw/zinc/10/78/57/842107857.db2.gz MJPZNLYCXAKSHJ-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601635 842108134 /nfs/dbraw/zinc/10/81/34/842108134.db2.gz CGNRJHKDRXYZFU-KURKYZTESA-N 2 0 353.507 0.648 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086091206 842120641 /nfs/dbraw/zinc/12/06/41/842120641.db2.gz NSYANTALYHTHAG-XUWVNRHRSA-N 2 0 351.495 0.226 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086371057 842128222 /nfs/dbraw/zinc/12/82/22/842128222.db2.gz NSYANTALYHTHAG-YHUYYLMFSA-N 2 0 351.495 0.226 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC[N@@H+]1C ZINC001086370819 842128776 /nfs/dbraw/zinc/12/87/76/842128776.db2.gz APOTUOQVYICSHN-SMLCLMEVSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001086784953 842173240 /nfs/dbraw/zinc/17/32/40/842173240.db2.gz CRBUJFJUYJXCMO-SQWLQELKSA-N 2 0 351.451 0.553 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]C(C)C ZINC001087067444 842263252 /nfs/dbraw/zinc/26/32/52/842263252.db2.gz CBXUMQPXDSEZHG-RVKOJVRFSA-N 2 0 351.491 0.711 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087101010 842288861 /nfs/dbraw/zinc/28/88/61/842288861.db2.gz PBCADUSCCIAOLF-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087100802 842290401 /nfs/dbraw/zinc/29/04/01/842290401.db2.gz FJGYKIXPHQBXNH-RCCFBDPRSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087175574 842308155 /nfs/dbraw/zinc/30/81/55/842308155.db2.gz VFNDZSKTGFERAW-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CCCO ZINC001087601294 842372374 /nfs/dbraw/zinc/37/23/74/842372374.db2.gz KMWBCRMGZNQJMC-KSZLIROESA-N 2 0 353.507 0.981 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087796636 842433554 /nfs/dbraw/zinc/43/35/54/842433554.db2.gz IHZBOXAHRFMKBR-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCN1CCCC1=O ZINC001087828769 842442740 /nfs/dbraw/zinc/44/27/40/842442740.db2.gz VDYXADOQLPSSSY-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992727 842494807 /nfs/dbraw/zinc/49/48/07/842494807.db2.gz IOXYWROFPDMVFU-XHSDSOJGSA-N 2 0 350.507 0.728 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064155 842521560 /nfs/dbraw/zinc/52/15/60/842521560.db2.gz OTQHKPCYFCSUBG-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109510 842534075 /nfs/dbraw/zinc/53/40/75/842534075.db2.gz JNZRHBLLMOPFKS-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153724 842546841 /nfs/dbraw/zinc/54/68/41/842546841.db2.gz HXUFSSBWLDSCTK-ZACQAIPSSA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092157808 843165930 /nfs/dbraw/zinc/16/59/30/843165930.db2.gz QCZRALOGZCLXCQ-GMBSWORKSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504698 843222531 /nfs/dbraw/zinc/22/25/31/843222531.db2.gz WQZKJOIXZYMFAO-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1C ZINC001092758615 843294386 /nfs/dbraw/zinc/29/43/86/843294386.db2.gz XCRVYDKZIMYZLQ-ZACQAIPSSA-N 2 0 352.523 0.879 20 0 FCADRP CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306876 861403113 /nfs/dbraw/zinc/40/31/13/861403113.db2.gz GGHVYLNKSCTVDK-MJGOQNOKSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931485 843347899 /nfs/dbraw/zinc/34/78/99/843347899.db2.gz NQJDRJUQQJEMBR-NVXWUHKLSA-N 2 0 350.507 0.635 20 0 FCADRP COCOCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276312094 861406864 /nfs/dbraw/zinc/40/68/64/861406864.db2.gz ISLLFDFHKBIWEC-QGZVFWFLSA-N 2 0 352.435 0.197 20 0 FCADRP CO[C@H](C)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040776 843371220 /nfs/dbraw/zinc/37/12/20/843371220.db2.gz UIYUDUXGLKUSBJ-BZUAXINKSA-N 2 0 351.495 0.777 20 0 FCADRP COCCC[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276315813 861408792 /nfs/dbraw/zinc/40/87/92/861408792.db2.gz NICZKSFNHVSNAP-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093277400 843420135 /nfs/dbraw/zinc/42/01/35/843420135.db2.gz HKHAJYUHHFYOQE-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCF)CC3)C2)O1 ZINC001093400183 843422379 /nfs/dbraw/zinc/42/23/79/843422379.db2.gz JXPUFOODOHPSSU-JBCIKUTRSA-N 2 0 357.470 0.805 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CCC([NH2+]CCO)CC3)C2)CC[N@@H+]1C ZINC001093399727 843423056 /nfs/dbraw/zinc/42/30/56/843423056.db2.gz OCGDLBILGDTUGU-DHADLLTHSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093672671 843453358 /nfs/dbraw/zinc/45/33/58/843453358.db2.gz ADMYDWHYVWABHV-MCIONIFRSA-N 2 0 350.467 0.414 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001093825991 843475138 /nfs/dbraw/zinc/47/51/38/843475138.db2.gz VZXJSOXDJCDOLT-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001094224625 843532337 /nfs/dbraw/zinc/53/23/37/843532337.db2.gz UQZSATACJPQEHP-RBSFLKMASA-N 2 0 351.451 0.222 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276437606 861448935 /nfs/dbraw/zinc/44/89/35/861448935.db2.gz DATSVCZOZUBTNU-DNVCBOLYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994316 844681735 /nfs/dbraw/zinc/68/17/35/844681735.db2.gz XTPAMJIPIHRQGD-KBAYOESNSA-N 2 0 353.507 0.411 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001103085319 844697633 /nfs/dbraw/zinc/69/76/33/844697633.db2.gz PSFXGKKYWDXCAR-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087884 844699386 /nfs/dbraw/zinc/69/93/86/844699386.db2.gz OGRQPIWHHMOULM-QGPMSJSTSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185546 844718848 /nfs/dbraw/zinc/71/88/48/844718848.db2.gz CHJJZPSEJQEBEU-OAGGEKHMSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103368262 844744360 /nfs/dbraw/zinc/74/43/60/844744360.db2.gz RXNYCUKVXSKJSD-LTIDMASMSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397085 844750638 /nfs/dbraw/zinc/75/06/38/844750638.db2.gz YVNIOFQZLITSHY-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435907 844757274 /nfs/dbraw/zinc/75/72/74/844757274.db2.gz DDDMRORQEFGTQH-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550569 844778719 /nfs/dbraw/zinc/77/87/19/844778719.db2.gz XDHUXSWXFCHVDD-RBSFLKMASA-N 2 0 352.479 0.208 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641946 844793847 /nfs/dbraw/zinc/79/38/47/844793847.db2.gz KDQZGUXIDHMWOC-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103642162 844794079 /nfs/dbraw/zinc/79/40/79/844794079.db2.gz SLMQOMSZUGSQJT-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646887 844794752 /nfs/dbraw/zinc/79/47/52/844794752.db2.gz KPUIVAIOXBMIKF-HZPDHXFCSA-N 2 0 371.547 0.591 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001103723472 844806717 /nfs/dbraw/zinc/80/67/17/844806717.db2.gz LECIPVMSJQQCPN-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722525 844806787 /nfs/dbraw/zinc/80/67/87/844806787.db2.gz RCUSWVCXMSLMON-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718886 844807090 /nfs/dbraw/zinc/80/70/90/844807090.db2.gz IVTVFHHKUHLPIY-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751798 844814813 /nfs/dbraw/zinc/81/48/13/844814813.db2.gz SGCMZSDUQDTMCI-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001103999505 844851006 /nfs/dbraw/zinc/85/10/06/844851006.db2.gz ASTIXOICGXRLAI-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001103999633 844851692 /nfs/dbraw/zinc/85/16/92/844851692.db2.gz FRGQYAZGBADVNP-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001104209726 844877745 /nfs/dbraw/zinc/87/77/45/844877745.db2.gz OYVAKLPLKLFVEY-OWCLPIDISA-N 2 0 351.495 0.513 20 0 FCADRP CCCCN1C[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630440 861507645 /nfs/dbraw/zinc/50/76/45/861507645.db2.gz XCZLYJUSDXJZCJ-IBGZPJMESA-N 2 0 352.523 0.727 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682999 844932812 /nfs/dbraw/zinc/93/28/12/844932812.db2.gz FLAIJTNSITYUIK-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104832462 844949233 /nfs/dbraw/zinc/94/92/33/844949233.db2.gz BTXKLKXKBKACOK-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104908038 844958532 /nfs/dbraw/zinc/95/85/32/844958532.db2.gz GEHXCLVLOYWHSG-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007758 844968979 /nfs/dbraw/zinc/96/89/79/844968979.db2.gz FNHGXYKSDLISAC-ZACQAIPSSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001105062531 844975311 /nfs/dbraw/zinc/97/53/11/844975311.db2.gz VZYJKTJMCLSBFF-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2(C[NH+](C)C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105651637 845009364 /nfs/dbraw/zinc/00/93/64/845009364.db2.gz IAEFOXGSZRPCHT-JEWRLFTDSA-N 2 0 353.507 0.287 20 0 FCADRP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105657957 845010244 /nfs/dbraw/zinc/01/02/44/845010244.db2.gz BPTAZMNAZOMMNW-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660795 845011651 /nfs/dbraw/zinc/01/16/51/845011651.db2.gz YNWIKARJOOULOM-RWQQGDIJSA-N 2 0 355.523 0.941 20 0 FCADRP CC(C)[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668406 845015093 /nfs/dbraw/zinc/01/50/93/845015093.db2.gz WSPVLAXJHSHWKA-RWQQGDIJSA-N 2 0 355.523 0.939 20 0 FCADRP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105669558 845015909 /nfs/dbraw/zinc/01/59/09/845015909.db2.gz SOEPEWDRPINIFC-RWQQGDIJSA-N 2 0 353.507 0.695 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105669046 845015945 /nfs/dbraw/zinc/01/59/45/845015945.db2.gz OXJNYOAQWJIYFZ-RWQQGDIJSA-N 2 0 355.523 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105945404 845064467 /nfs/dbraw/zinc/06/44/67/845064467.db2.gz WRRYTFMWTVUHKJ-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106198634 845129400 /nfs/dbraw/zinc/12/94/00/845129400.db2.gz IABLVZFXXGKSIK-RBSFLKMASA-N 2 0 365.515 0.395 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1 ZINC001106198667 845129777 /nfs/dbraw/zinc/12/97/77/845129777.db2.gz IXICOXMQDYOEOS-RBSFLKMASA-N 2 0 354.474 0.679 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106211071 845135722 /nfs/dbraw/zinc/13/57/22/845135722.db2.gz PPJXHWVZTMCLMR-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250069 845143138 /nfs/dbraw/zinc/14/31/38/845143138.db2.gz XPFNJGLDKQXLCF-QGPMSJSTSA-N 2 0 352.523 0.878 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106339577 845159222 /nfs/dbraw/zinc/15/92/22/845159222.db2.gz SVRRREHFXOXLTK-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453755 845177049 /nfs/dbraw/zinc/17/70/49/845177049.db2.gz VKHAPTPERYRIQF-QCZOYZIOSA-N 2 0 351.491 0.570 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)C1 ZINC001106571105 845196551 /nfs/dbraw/zinc/19/65/51/845196551.db2.gz MMNOKGLLZPYDSM-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588392 845201286 /nfs/dbraw/zinc/20/12/86/845201286.db2.gz SLVWPCCWENOCLD-VNHYZAJKSA-N 2 0 350.463 0.773 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001106623106 845207200 /nfs/dbraw/zinc/20/72/00/845207200.db2.gz HGHDWDSUBWHVMH-JHJVBQTASA-N 2 0 366.428 0.689 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001106626946 845208333 /nfs/dbraw/zinc/20/83/33/845208333.db2.gz OUIOAMQGJHXLEY-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666476 845218185 /nfs/dbraw/zinc/21/81/85/845218185.db2.gz LZLHAJZAHAIGSP-HBUWYVDXSA-N 2 0 356.486 0.629 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001106666334 845218650 /nfs/dbraw/zinc/21/86/50/845218650.db2.gz KXQIQZOAQFMGPF-ARFHVFGLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)C1 ZINC001106665792 845218759 /nfs/dbraw/zinc/21/87/59/845218759.db2.gz BQBAHPHTFOXPFM-ZMSDIMECSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106668998 845220152 /nfs/dbraw/zinc/22/01/52/845220152.db2.gz SWMFJSJIPQAXGB-HUUCEWRRSA-N 2 0 350.507 0.681 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1)[NH+](C)C ZINC001106673097 845221959 /nfs/dbraw/zinc/22/19/59/845221959.db2.gz BTMWTHQSHUCLEK-UPJWGTAASA-N 2 0 366.428 0.689 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106783156 845252131 /nfs/dbraw/zinc/25/21/31/845252131.db2.gz IXDAJKAIDVTPIT-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106783334 845252548 /nfs/dbraw/zinc/25/25/48/845252548.db2.gz MTTPVEYTHMZWSH-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106840311 845265693 /nfs/dbraw/zinc/26/56/93/845265693.db2.gz HBHGOFJJJSQZKI-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106874812 845276435 /nfs/dbraw/zinc/27/64/35/845276435.db2.gz UJOUWKTUPCJTJT-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878580 845277017 /nfs/dbraw/zinc/27/70/17/845277017.db2.gz SHSLKGUVXQHKSN-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106907944 845284699 /nfs/dbraw/zinc/28/46/99/845284699.db2.gz JRGCFWHSJGKXTF-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981125 845298667 /nfs/dbraw/zinc/29/86/67/845298667.db2.gz GSDGJDAPNDSHRW-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980779 845299110 /nfs/dbraw/zinc/29/91/10/845299110.db2.gz AVRYPFUGPPDOPB-VNQPRFMTSA-N 2 0 366.531 0.854 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001107027996 845312151 /nfs/dbraw/zinc/31/21/51/845312151.db2.gz KZEHGPRBUXBUPC-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107582983 845402339 /nfs/dbraw/zinc/40/23/39/845402339.db2.gz JFXAHHFVDGWQNN-VQIMIIECSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N1CCC1)CC2 ZINC001107598680 845406077 /nfs/dbraw/zinc/40/60/77/845406077.db2.gz QLYGUELCMLOIQO-VQIMIIECSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107609359 845407566 /nfs/dbraw/zinc/40/75/66/845407566.db2.gz PEVNPSYCTJBBMA-YQVWRLOYSA-N 2 0 353.507 0.698 20 0 FCADRP COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107633813 845411661 /nfs/dbraw/zinc/41/16/61/845411661.db2.gz CZKXIOLOWXXLII-ZHALLVOQSA-N 2 0 353.507 0.962 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109399657 845645798 /nfs/dbraw/zinc/64/57/98/845645798.db2.gz QUSRIIMTGUQOHK-MHORFTMASA-N 2 0 353.507 0.980 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565149 845689532 /nfs/dbraw/zinc/68/95/32/845689532.db2.gz BUABRVIPABASQL-NCOADZHNSA-N 2 0 353.507 0.980 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653948 845705205 /nfs/dbraw/zinc/70/52/05/845705205.db2.gz OMWCHZSJMOJILG-IKGGRYGDSA-N 2 0 354.495 0.202 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709751 845953012 /nfs/dbraw/zinc/95/30/12/845953012.db2.gz KKTMXAYODPXONG-VQHPVUNQSA-N 2 0 351.491 0.591 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110934809 845996988 /nfs/dbraw/zinc/99/69/88/845996988.db2.gz OABQTUJIQDGGCR-MLHJIOFPSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111298717 846080720 /nfs/dbraw/zinc/08/07/20/846080720.db2.gz NENDGQCATHRFLZ-OAGGEKHMSA-N 2 0 351.495 0.465 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001111311553 846083503 /nfs/dbraw/zinc/08/35/03/846083503.db2.gz KDODTYSSAQYIDF-TWMKSMIVSA-N 2 0 357.495 0.074 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001111311394 846083650 /nfs/dbraw/zinc/08/36/50/846083650.db2.gz CBTXVHIUVNHKPD-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753221 846190986 /nfs/dbraw/zinc/19/09/86/846190986.db2.gz KCDOWGYFTRTIMS-OLMMMNRUSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)CC[N@@H+]1C ZINC001111753374 846191288 /nfs/dbraw/zinc/19/12/88/846191288.db2.gz ZIYWXBPHEUJRBQ-BMFAXAFESA-N 2 0 353.507 0.696 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778191 846201009 /nfs/dbraw/zinc/20/10/09/846201009.db2.gz MTVCECDVLGOZTP-KXBFYZLASA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855541 846231775 /nfs/dbraw/zinc/23/17/75/846231775.db2.gz ABYINQWOFPULEJ-VCBZYWHSSA-N 2 0 350.507 0.776 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871885 846240047 /nfs/dbraw/zinc/24/00/47/846240047.db2.gz PSBIXIVCOGJVAW-BXWFABGCSA-N 2 0 353.507 0.696 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111910322 846256777 /nfs/dbraw/zinc/25/67/77/846256777.db2.gz UEVWQDWBXILAPS-IYOUNJFTSA-N 2 0 350.463 0.104 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCNC1=O)C2 ZINC001111950996 846273571 /nfs/dbraw/zinc/27/35/71/846273571.db2.gz NPARXJVZNMHBBK-FCEWJHQRSA-N 2 0 350.507 0.968 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984002 846283617 /nfs/dbraw/zinc/28/36/17/846283617.db2.gz VFIJMPSVEOUHSL-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004227 846290309 /nfs/dbraw/zinc/29/03/09/846290309.db2.gz QJHQNIGFAYAKCF-LNLFQRSKSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCN(C)C1=O)C2 ZINC001112009898 846295077 /nfs/dbraw/zinc/29/50/77/846295077.db2.gz ZFSPSZBGWHEGPS-FCEWJHQRSA-N 2 0 350.507 0.918 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112071106 846347992 /nfs/dbraw/zinc/34/79/92/846347992.db2.gz QUAQMVRMNZWRIX-UPJWGTAASA-N 2 0 353.385 0.068 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112166163 846429222 /nfs/dbraw/zinc/42/92/22/846429222.db2.gz HUQJMMCJJMTFQD-BFHYXJOUSA-N 2 0 367.412 0.459 20 0 FCADRP CC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899103 861676537 /nfs/dbraw/zinc/67/65/37/861676537.db2.gz GAEMXQXXSSTGKH-LPHOPBHVSA-N 2 0 350.507 0.526 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194307 846454374 /nfs/dbraw/zinc/45/43/74/846454374.db2.gz XXNNABHYVIEJRR-CHWSQXEVSA-N 2 0 355.401 0.580 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112196655 846454970 /nfs/dbraw/zinc/45/49/70/846454970.db2.gz XFIDYBYUUFVAKE-BFHYXJOUSA-N 2 0 369.428 0.705 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112198289 846456249 /nfs/dbraw/zinc/45/62/49/846456249.db2.gz NBZKUDWEQJGOJZ-JHJVBQTASA-N 2 0 355.401 0.314 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112211919 846469132 /nfs/dbraw/zinc/46/91/32/846469132.db2.gz CWURMQWFGNRZFN-GRYCIOLGSA-N 2 0 352.401 0.569 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112425698 846502876 /nfs/dbraw/zinc/50/28/76/846502876.db2.gz XZOBSBNGARURLN-LPHOPBHVSA-N 2 0 353.507 0.555 20 0 FCADRP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2)C(N)=O ZINC001112522754 846514259 /nfs/dbraw/zinc/51/42/59/846514259.db2.gz MQAVEIVJLKJQGV-FCEWJHQRSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2)C(=O)NC1CC1 ZINC001112522965 846514487 /nfs/dbraw/zinc/51/44/87/846514487.db2.gz WGOYSKFHECWUQP-VCBZYWHSSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112529905 846515989 /nfs/dbraw/zinc/51/59/89/846515989.db2.gz VDHRMLWWLONQQX-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001112564342 846525438 /nfs/dbraw/zinc/52/54/38/846525438.db2.gz PGIQZBIJTDZXOL-LPHOPBHVSA-N 2 0 351.491 0.309 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112567606 846525981 /nfs/dbraw/zinc/52/59/81/846525981.db2.gz YLRXMAVJZQLSDN-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276960006 861707270 /nfs/dbraw/zinc/70/72/70/861707270.db2.gz NDHJBCLKEQFJAR-DLBZAZTESA-N 2 0 352.523 0.223 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001117356481 846979131 /nfs/dbraw/zinc/97/91/31/846979131.db2.gz LUNJJIXDXJXDCB-MWDXBVQZSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001118034696 847256992 /nfs/dbraw/zinc/25/69/92/847256992.db2.gz HGKLSFPEGVXBMD-XJKSGUPXSA-N 2 0 350.463 0.528 20 0 FCADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001118197565 847320011 /nfs/dbraw/zinc/32/00/11/847320011.db2.gz OMZBTFMBXMAYGA-CQSZACIVSA-N 2 0 360.449 0.810 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001119310325 847808290 /nfs/dbraw/zinc/80/82/90/847808290.db2.gz YKWXOELVGGPDOU-YOEHRIQHSA-N 2 0 352.479 0.086 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119403650 847834556 /nfs/dbraw/zinc/83/45/56/847834556.db2.gz MUBCYRJQQWOTLT-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC001119424962 847839951 /nfs/dbraw/zinc/83/99/51/847839951.db2.gz NGNDVZWBRIYMCZ-IKGGRYGDSA-N 2 0 353.511 0.175 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120567619 848247026 /nfs/dbraw/zinc/24/70/26/848247026.db2.gz MMKKLSQKPVNGGR-GOSISDBHSA-N 2 0 369.531 0.741 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001120642582 848260823 /nfs/dbraw/zinc/26/08/23/848260823.db2.gz SAPLLMOHMWRJKR-IRXDYDNUSA-N 2 0 353.511 0.163 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2C)CC1=O ZINC001120810734 848287240 /nfs/dbraw/zinc/28/72/40/848287240.db2.gz VHTZKZCQISNBDR-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H](O)COC)C3)CC[N@@H+]1C ZINC001121133907 848321113 /nfs/dbraw/zinc/32/11/13/848321113.db2.gz KXPXXGLSNNWCIX-VAXFGDBPSA-N 2 0 353.507 0.741 20 0 FCADRP Cc1nc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC001277499934 861908637 /nfs/dbraw/zinc/90/86/37/861908637.db2.gz NVJOFBXTZLWGMT-GOSISDBHSA-N 2 0 350.463 0.904 20 0 FCADRP CNS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001127643707 848730560 /nfs/dbraw/zinc/73/05/60/848730560.db2.gz HQGZEBFTSYLTIE-CZUORRHYSA-N 2 0 368.503 0.141 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)CC[N@@H+]1C ZINC001127700868 848732745 /nfs/dbraw/zinc/73/27/45/848732745.db2.gz FVFQIAAQAVSDSA-JKSUJKDBSA-N 2 0 366.531 0.843 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)CC[N@@H+]1C ZINC001127706145 848732896 /nfs/dbraw/zinc/73/28/96/848732896.db2.gz IOTUOFDPIFPZCJ-JKSUJKDBSA-N 2 0 366.531 0.843 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049017 848799577 /nfs/dbraw/zinc/79/95/77/848799577.db2.gz OJLHOXOBESDRLB-ZNMIVQPWSA-N 2 0 352.458 0.852 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228250 848819688 /nfs/dbraw/zinc/81/96/88/848819688.db2.gz KFEPPYHOHQSENN-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384910 848837944 /nfs/dbraw/zinc/83/79/44/848837944.db2.gz BOGVUGKCLAJOKL-XHSDSOJGSA-N 2 0 352.483 0.244 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894311 848909666 /nfs/dbraw/zinc/90/96/66/848909666.db2.gz ACXZSOQXPDGLMZ-IMJJTQAJSA-N 2 0 350.467 0.139 20 0 FCADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894888 848910136 /nfs/dbraw/zinc/91/01/36/848910136.db2.gz WPARETGXAKRNRB-IMJJTQAJSA-N 2 0 352.458 0.852 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005766 848929754 /nfs/dbraw/zinc/92/97/54/848929754.db2.gz GPRDQZVAHNURMV-MDQLWMCGSA-N 2 0 352.870 0.714 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130096999 848944394 /nfs/dbraw/zinc/94/43/94/848944394.db2.gz XOKBMJYTECEUAE-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001130221120 848979089 /nfs/dbraw/zinc/97/90/89/848979089.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 2 0 350.467 0.387 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001130293323 848996823 /nfs/dbraw/zinc/99/68/23/848996823.db2.gz UMFAEABAAKKOAA-NJAFHUGGSA-N 2 0 350.507 0.822 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130656354 849024759 /nfs/dbraw/zinc/02/47/59/849024759.db2.gz GSMCEKWITHYSIS-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130719247 849028945 /nfs/dbraw/zinc/02/89/45/849028945.db2.gz FVIGCVLOZHDSSE-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)[NH+](C)C ZINC001130790435 849043690 /nfs/dbraw/zinc/04/36/90/849043690.db2.gz ZTXZEDMAVCRGTK-YNEHKIRRSA-N 2 0 356.446 0.540 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001131003473 849069839 /nfs/dbraw/zinc/06/98/39/849069839.db2.gz GGDQCUFKVFRYJZ-RBSFLKMASA-N 2 0 357.449 0.954 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131091437 849078563 /nfs/dbraw/zinc/07/85/63/849078563.db2.gz HVWIPCKMZXZVBE-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313299 849095470 /nfs/dbraw/zinc/09/54/70/849095470.db2.gz NCDXPOIRRNDMKN-XHSDSOJGSA-N 2 0 352.479 0.844 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001131555430 849123546 /nfs/dbraw/zinc/12/35/46/849123546.db2.gz FSBAFCYVNAQRSZ-LXZKKBNFSA-N 2 0 354.495 0.188 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126265 849175708 /nfs/dbraw/zinc/17/57/08/849175708.db2.gz IEUAYVQQPZIQIA-SJORKVTESA-N 2 0 367.515 0.472 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001142584454 849453827 /nfs/dbraw/zinc/45/38/27/849453827.db2.gz XNKLHWIOFHMSNT-UHFFFAOYSA-N 2 0 351.451 0.191 20 0 FCADRP C[NH+]1CCN(CCC(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)CC1 ZINC001143236983 849480039 /nfs/dbraw/zinc/48/00/39/849480039.db2.gz XXAUXCANHRILAB-UHFFFAOYSA-N 2 0 354.476 0.075 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001143353289 849484262 /nfs/dbraw/zinc/48/42/62/849484262.db2.gz HXIOMPRDSIVBHC-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CC1 ZINC001146780157 849565284 /nfs/dbraw/zinc/56/52/84/849565284.db2.gz UFCGCFUNEFCHFA-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001152144028 849706355 /nfs/dbraw/zinc/70/63/55/849706355.db2.gz RCRBTZUSIIJLHM-KRWDZBQOSA-N 2 0 353.507 0.793 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc2c(Br)cnn2c1 ZINC001153184257 849737665 /nfs/dbraw/zinc/73/76/65/849737665.db2.gz OVFVEBYXGSZHST-UHFFFAOYSA-N 2 0 354.212 0.566 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC001153324266 849742972 /nfs/dbraw/zinc/74/29/72/849742972.db2.gz AFCJKQSDVVDDOM-KRWDZBQOSA-N 2 0 352.523 0.774 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001155232502 849840658 /nfs/dbraw/zinc/84/06/58/849840658.db2.gz UEBHVTIFRORHSY-CQSZACIVSA-N 2 0 350.467 0.429 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ncnc(Cl)c3C(N)=O)CC2)CC1 ZINC001157838001 849999823 /nfs/dbraw/zinc/99/98/23/849999823.db2.gz MVOBZGOFMYKHTQ-UHFFFAOYSA-N 2 0 352.870 0.693 20 0 FCADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077283 850016060 /nfs/dbraw/zinc/01/60/60/850016060.db2.gz SLYUGBRCFNXYRK-UHFFFAOYSA-N 2 0 351.476 0.147 20 0 FCADRP O=C([C@@H](c1ccsc1)N1CCC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167907 850020668 /nfs/dbraw/zinc/02/06/68/850020668.db2.gz OFOIMUVEYDBPAB-BRWVUGGUSA-N 2 0 364.515 0.531 20 0 FCADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C2 ZINC001158190822 850023291 /nfs/dbraw/zinc/02/32/91/850023291.db2.gz IOTTXIJZKQSZCP-AWEZNQCLSA-N 2 0 351.451 0.509 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215017 850025184 /nfs/dbraw/zinc/02/51/84/850025184.db2.gz ISCUDFOHCFLZOL-XQLPTFJDSA-N 2 0 352.479 0.083 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241003 850027663 /nfs/dbraw/zinc/02/76/63/850027663.db2.gz POSPEOARGVVHBB-WDEREUQCSA-N 2 0 365.400 0.438 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]Cc2nncs2)CC1 ZINC001158282194 850034216 /nfs/dbraw/zinc/03/42/16/850034216.db2.gz NCJRQSYFFXJPHY-ZBFHGGJFSA-N 2 0 367.519 0.881 20 0 FCADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC001158380724 850042065 /nfs/dbraw/zinc/04/20/65/850042065.db2.gz VMEJFBXILDCKTN-RRFJBIMHSA-N 2 0 350.463 0.893 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CCCC1)C2 ZINC001158381511 850042336 /nfs/dbraw/zinc/04/23/36/850042336.db2.gz HKWKPDAFUGKRCQ-HIFRSBDPSA-N 2 0 363.380 0.802 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001158380707 850042569 /nfs/dbraw/zinc/04/25/69/850042569.db2.gz UWKDZQFDOOSGEZ-CHWSQXEVSA-N 2 0 355.483 0.047 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[C@H]([NH3+])C1CC1)C2 ZINC001158383020 850043528 /nfs/dbraw/zinc/04/35/28/850043528.db2.gz NPHJKXIPJIJSCY-GLQYFDAESA-N 2 0 363.380 0.657 20 0 FCADRP CCC[C@H]([NH3+])C(=O)N1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001158384468 850044843 /nfs/dbraw/zinc/04/48/43/850044843.db2.gz SXQFUNDVCDYTRO-ZLKJLUDKSA-N 2 0 351.369 0.657 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158423106 850049404 /nfs/dbraw/zinc/04/94/04/850049404.db2.gz NEEUZGCZBNZYPY-PMPSAXMXSA-N 2 0 362.499 0.326 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](C)[C@@H](OC)[C@@H]1CCC[NH2+]1 ZINC001158497764 850057325 /nfs/dbraw/zinc/05/73/25/850057325.db2.gz HCUIVSDCSOLABN-FOLNQXHWSA-N 2 0 353.463 0.142 20 0 FCADRP C[NH+]1CCC(N(c2nc(Cl)ncc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158575314 850060750 /nfs/dbraw/zinc/06/07/50/850060750.db2.gz LHQWNDKRIQDTGL-UHFFFAOYSA-N 2 0 352.870 0.882 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001158638206 850062730 /nfs/dbraw/zinc/06/27/30/850062730.db2.gz RYJPCBYSZUBQIO-BLLLJJGKSA-N 2 0 351.838 0.507 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001158637478 850063130 /nfs/dbraw/zinc/06/31/30/850063130.db2.gz PDWDIFHOZYSNCU-BLLLJJGKSA-N 2 0 351.838 0.507 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158697587 850067818 /nfs/dbraw/zinc/06/78/18/850067818.db2.gz DLFAVOXFNUMQCS-AWEZNQCLSA-N 2 0 368.551 0.430 20 0 FCADRP Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]3O2)n1 ZINC001158695057 850068219 /nfs/dbraw/zinc/06/82/19/850068219.db2.gz XLUVEHQLMFUYLP-ZQDZILKHSA-N 2 0 351.451 0.903 20 0 FCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccccc1C[NH3+] ZINC001158735228 850072010 /nfs/dbraw/zinc/07/20/10/850072010.db2.gz SCOZFMJIRTWIFM-UHFFFAOYSA-N 2 0 364.427 0.381 20 0 FCADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC3)cs1 ZINC001158976598 850089422 /nfs/dbraw/zinc/08/94/22/850089422.db2.gz KOUGKKOHVHRUNS-JKSUJKDBSA-N 2 0 364.515 0.989 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159029914 850092364 /nfs/dbraw/zinc/09/23/64/850092364.db2.gz MXTPBAXIPVJXFW-MRXNPFEDSA-N 2 0 350.463 0.539 20 0 FCADRP CC(C)(C)N(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160387 850098875 /nfs/dbraw/zinc/09/88/75/850098875.db2.gz JQTLUUMXDNZKMN-HRLGVUPISA-N 2 0 350.507 0.746 20 0 FCADRP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001159625514 850124579 /nfs/dbraw/zinc/12/45/79/850124579.db2.gz XDBYFRBHTWCVMK-XYJFISCASA-N 2 0 351.491 0.905 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834660 850139080 /nfs/dbraw/zinc/13/90/80/850139080.db2.gz WFYDWUSVLOLVDT-LYYZXLFJSA-N 2 0 361.515 0.516 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834271 850139284 /nfs/dbraw/zinc/13/92/84/850139284.db2.gz UODOINIOFYUXRN-HOCLYGCPSA-N 2 0 363.531 0.908 20 0 FCADRP CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159844875 850140905 /nfs/dbraw/zinc/14/09/05/850140905.db2.gz LGOUAKVOOVXOOE-GJZGRUSLSA-N 2 0 354.495 0.223 20 0 FCADRP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793986 862096121 /nfs/dbraw/zinc/09/61/21/862096121.db2.gz BXWNZBLBXWCAFX-MAUKXSAKSA-N 2 0 355.479 0.175 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001160213776 850159155 /nfs/dbraw/zinc/15/91/55/850159155.db2.gz ZXKRWWFECTVYEH-INIZCTEOSA-N 2 0 350.507 0.860 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H]2C[C@@H](C(=O)NC(C)C)C[C@H]21 ZINC001160294866 850163878 /nfs/dbraw/zinc/16/38/78/850163878.db2.gz GWCZGLSMQDNXJA-CAOSSQGBSA-N 2 0 354.495 0.234 20 0 FCADRP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)C[NH2+]CCC[NH3+])n1 ZINC001160324296 850166310 /nfs/dbraw/zinc/16/63/10/850166310.db2.gz UAAPEEPXVHONPC-CQSZACIVSA-N 2 0 350.467 0.161 20 0 FCADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490959 850176516 /nfs/dbraw/zinc/17/65/16/850176516.db2.gz NOCFBNFKNNOSSG-QFBILLFUSA-N 2 0 351.491 0.858 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160610398 850185272 /nfs/dbraw/zinc/18/52/72/850185272.db2.gz BWEFRIBEQWHFLT-GOEBONIOSA-N 2 0 353.488 0.908 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001160629219 850186401 /nfs/dbraw/zinc/18/64/01/850186401.db2.gz JNHPLIGVIPJDMO-SFHVURJKSA-N 3 0 350.507 0.994 20 0 FCADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160746471 850195901 /nfs/dbraw/zinc/19/59/01/850195901.db2.gz JTIOJYSSARZIOO-CABCVRRESA-N 2 0 352.479 0.004 20 0 FCADRP C[C@](O)(C1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1)C(F)(F)F ZINC001160838396 850202041 /nfs/dbraw/zinc/20/20/41/850202041.db2.gz NDRSGSDOBVYXGG-HIFRSBDPSA-N 2 0 366.428 0.289 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160915505 850214070 /nfs/dbraw/zinc/21/40/70/850214070.db2.gz BOZGTHSNRTZRRP-NSHDSACASA-N 2 0 359.883 0.519 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006439 850220164 /nfs/dbraw/zinc/22/01/64/850220164.db2.gz DKCQKBAFSGUKBU-UONOGXRCSA-N 2 0 355.479 0.541 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161097306 850230481 /nfs/dbraw/zinc/23/04/81/850230481.db2.gz BVDMSLHMLPRPNA-YPMHNXCESA-N 2 0 360.384 0.620 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001161159188 850235844 /nfs/dbraw/zinc/23/58/44/850235844.db2.gz XXYXQLOXVONCSH-ZDUSSCGKSA-N 2 0 350.419 0.176 20 0 FCADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161170613 850236142 /nfs/dbraw/zinc/23/61/42/850236142.db2.gz KPPIFFDMYGQHKQ-MJBXVCDLSA-N 2 0 351.451 0.422 20 0 FCADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001161245374 850243746 /nfs/dbraw/zinc/24/37/46/850243746.db2.gz DBUCEGGPSOMGAV-PBHICJAKSA-N 2 0 368.478 0.263 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321818 850251956 /nfs/dbraw/zinc/25/19/56/850251956.db2.gz QBNKMLVPDZZWQS-MUIFIZLQSA-N 2 0 353.463 0.415 20 0 FCADRP COc1cc(N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2CC[NH2+]CC2)ccn1 ZINC001161385891 850255755 /nfs/dbraw/zinc/25/57/55/850255755.db2.gz KIUJNLDECCSXEL-BSEYFRJRSA-N 2 0 354.476 0.271 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378250 850256176 /nfs/dbraw/zinc/25/61/76/850256176.db2.gz KYUZIQBGHBUSMN-WDYCEAGBSA-N 2 0 350.507 0.559 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CO[C@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381620 850256258 /nfs/dbraw/zinc/25/62/58/850256258.db2.gz YNEAMHFODARSHV-SZVBFZGTSA-N 2 0 350.507 0.559 20 0 FCADRP C[NH+](C)CCN(C(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161445456 850259945 /nfs/dbraw/zinc/25/99/45/850259945.db2.gz PFJZISHZIUJIBN-YQVWRLOYSA-N 3 0 352.523 0.677 20 0 FCADRP C[NH+](C)CCN(C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161449572 850260281 /nfs/dbraw/zinc/26/02/81/850260281.db2.gz OLVSSKBFHAYYEO-MSOLQXFVSA-N 3 0 351.539 0.203 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1nc3c(s1)C[NH2+]CC3)CC2 ZINC001161483127 850263230 /nfs/dbraw/zinc/26/32/30/850263230.db2.gz KSKHSGFDCIGPHU-BLLLJJGKSA-N 2 0 350.444 0.156 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)CC12COC2 ZINC001161500852 850264740 /nfs/dbraw/zinc/26/47/40/850264740.db2.gz QGPLTDSCILSTCG-RBSFLKMASA-N 2 0 350.488 0.398 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001277833388 862120953 /nfs/dbraw/zinc/12/09/53/862120953.db2.gz DFKUFCKVLDOEGB-HKUYNNGSSA-N 2 0 353.507 0.793 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(C3COC3)C2=O)CC1 ZINC001277833389 862121421 /nfs/dbraw/zinc/12/14/21/862121421.db2.gz DFKUFCKVLDOEGB-IEBWSBKVSA-N 2 0 353.507 0.793 20 0 FCADRP CS(=O)(=O)c1nc2c(c(N3CC[C@@]4(C3)CCC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001165237226 850430255 /nfs/dbraw/zinc/43/02/55/850430255.db2.gz YMAJURFOQWNHPG-KRWDZBQOSA-N 2 0 365.503 0.148 20 0 FCADRP COc1cnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1NC(C)C ZINC001165339975 850434658 /nfs/dbraw/zinc/43/46/58/850434658.db2.gz GMAJCORZAVUYDZ-QGZVFWFLSA-N 2 0 351.451 0.891 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001165405492 850439985 /nfs/dbraw/zinc/43/99/85/850439985.db2.gz PTNOKDFNVBBCFG-TVYUQYBPSA-N 2 0 351.838 0.506 20 0 FCADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001168323160 850583028 /nfs/dbraw/zinc/58/30/28/850583028.db2.gz SLMWFKAMRFTLLO-KWXGJIJISA-N 2 0 351.491 0.807 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1noc3c1C[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169131132 850606833 /nfs/dbraw/zinc/60/68/33/850606833.db2.gz PWYAVMXZXFZVBV-ITGUQSILSA-N 2 0 354.476 0.707 20 0 FCADRP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132957 850607703 /nfs/dbraw/zinc/60/77/03/850607703.db2.gz ANQGQABRKOTHKE-CNMWIUBYSA-N 2 0 351.491 0.998 20 0 FCADRP C[C@@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001170577129 850659178 /nfs/dbraw/zinc/65/91/78/850659178.db2.gz YENMWRATLAKFOE-DYVFJYSZSA-N 2 0 368.503 0.506 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(Cc3cc(Cl)ncc3O)C2)OCC1=O ZINC001278056153 862177253 /nfs/dbraw/zinc/17/72/53/862177253.db2.gz MYJHDPVSCZJMSA-QGZVFWFLSA-N 2 0 368.865 0.806 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1csc(NC=O)n1 ZINC001178033366 850882305 /nfs/dbraw/zinc/88/23/05/850882305.db2.gz YSIRKQHVPUCHMJ-UHFFFAOYSA-N 2 0 355.508 0.986 20 0 FCADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001178521657 850904659 /nfs/dbraw/zinc/90/46/59/850904659.db2.gz AVOAMPRZXOZYOX-BFHYXJOUSA-N 2 0 355.483 0.176 20 0 FCADRP COC(=O)N1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001178948997 850940957 /nfs/dbraw/zinc/94/09/57/850940957.db2.gz BSNCSANMZJAWMR-UHFFFAOYSA-N 2 0 354.495 0.603 20 0 FCADRP Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001183226085 851235513 /nfs/dbraw/zinc/23/55/13/851235513.db2.gz SUOGRJSWONXYNQ-LBPRGKRZSA-N 2 0 355.464 0.123 20 0 FCADRP Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001183576211 851253055 /nfs/dbraw/zinc/25/30/55/851253055.db2.gz GJOHQDNVTPMPHO-BPLDGKMQSA-N 2 0 351.451 0.220 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001185246081 851344349 /nfs/dbraw/zinc/34/43/49/851344349.db2.gz ZKDYOMHIWPEKRQ-SFHVURJKSA-N 2 0 352.523 0.583 20 0 FCADRP COc1nc(OC)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1Br ZINC001185474829 851357955 /nfs/dbraw/zinc/35/79/55/851357955.db2.gz GJGGGKULBFZTNX-UHFFFAOYSA-N 2 0 374.239 0.936 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186914295 851484564 /nfs/dbraw/zinc/48/45/64/851484564.db2.gz WAGYDYFYDBTJFQ-UHFFFAOYSA-N 2 0 354.476 0.295 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001187959267 851632527 /nfs/dbraw/zinc/63/25/27/851632527.db2.gz FXYUQRPAVIJBAC-UHFFFAOYSA-N 2 0 369.491 0.614 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188188850 851657680 /nfs/dbraw/zinc/65/76/80/851657680.db2.gz HGWYATNOYPZPFL-RCCFBDPRSA-N 2 0 353.507 0.506 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001189055659 851746501 /nfs/dbraw/zinc/74/65/01/851746501.db2.gz YXNAWHVIJQFEQT-ARFHVFGLSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159947 851761755 /nfs/dbraw/zinc/76/17/55/851761755.db2.gz QXBODPZZYZVGKR-HRCADAONSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189851816 851830220 /nfs/dbraw/zinc/83/02/20/851830220.db2.gz QDYSUQXGGQJDIX-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189871824 851833777 /nfs/dbraw/zinc/83/37/77/851833777.db2.gz RRRXQJUNGHLBGF-RRFJBIMHSA-N 2 0 350.463 0.056 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913127 851840465 /nfs/dbraw/zinc/84/04/65/851840465.db2.gz MQFBTTPNCYZLNE-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001189912826 851840987 /nfs/dbraw/zinc/84/09/87/851840987.db2.gz GSMZVOQIIIMCRD-JKSUJKDBSA-N 2 0 351.495 0.276 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001190247163 851883658 /nfs/dbraw/zinc/88/36/58/851883658.db2.gz LXGQVDYLKGWXNV-YESZJQIVSA-N 2 0 350.507 0.776 20 0 FCADRP CCOC(=O)[C@@H](CCSC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001193215028 852387779 /nfs/dbraw/zinc/38/77/79/852387779.db2.gz WLKYBVFEXBMXSY-CQSZACIVSA-N 2 0 362.540 0.806 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821064 852494897 /nfs/dbraw/zinc/49/48/97/852494897.db2.gz CIXMLOJLYYHCFY-QZTJIDSGSA-N 2 0 353.507 0.839 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001193901555 852503725 /nfs/dbraw/zinc/50/37/25/852503725.db2.gz GPNWNPXVNBEKEZ-RCCFBDPRSA-N 2 0 353.507 0.839 20 0 FCADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982753 852686784 /nfs/dbraw/zinc/68/67/84/852686784.db2.gz SAWOYASZMAMOKN-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001195676767 852810709 /nfs/dbraw/zinc/81/07/09/852810709.db2.gz KEIGBFPBBBTSEL-BRWVUGGUSA-N 2 0 353.507 0.431 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893274 852843200 /nfs/dbraw/zinc/84/32/00/852843200.db2.gz DBFJROZITZMTLF-FGTMMUONSA-N 2 0 355.523 0.894 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252223 852925179 /nfs/dbraw/zinc/92/51/79/852925179.db2.gz VRIWYWOMYNHIKT-GVDBMIGSSA-N 2 0 357.495 0.075 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252222 852925342 /nfs/dbraw/zinc/92/53/42/852925342.db2.gz VRIWYWOMYNHIKT-BRWVUGGUSA-N 2 0 357.495 0.075 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1nc(Br)c[nH]c1=O ZINC001196507552 852969050 /nfs/dbraw/zinc/96/90/50/852969050.db2.gz PBYHFTJFUSGOCG-UHFFFAOYSA-N 2 0 359.228 0.210 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C(C)C ZINC001197018493 853049823 /nfs/dbraw/zinc/04/98/23/853049823.db2.gz VSBSUPPCXUMIHJ-KZNAEPCWSA-N 2 0 355.523 0.941 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197948765 853190064 /nfs/dbraw/zinc/19/00/64/853190064.db2.gz LGQNNXDIHCCTOJ-JHJVBQTASA-N 2 0 355.401 0.193 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O ZINC001198698649 853303602 /nfs/dbraw/zinc/30/36/02/853303602.db2.gz DIYPWXSEUNROGI-KBAYOESNSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O ZINC001198698648 853304134 /nfs/dbraw/zinc/30/41/34/853304134.db2.gz DIYPWXSEUNROGI-CGTJXYLNSA-N 2 0 353.507 0.696 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199017736 853355026 /nfs/dbraw/zinc/35/50/26/853355026.db2.gz LHTCZAFZNASGEM-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001199018384 853356575 /nfs/dbraw/zinc/35/65/75/853356575.db2.gz XLTBBDGWSUMART-KURKYZTESA-N 2 0 353.507 0.839 20 0 FCADRP COCCn1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1C(F)(F)F ZINC001199153745 853381008 /nfs/dbraw/zinc/38/10/08/853381008.db2.gz FPOGINBDPUAEHJ-UHFFFAOYSA-N 2 0 350.345 0.623 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001200651555 853506959 /nfs/dbraw/zinc/50/69/59/853506959.db2.gz AMAYXPWLLNYHIT-DLBZAZTESA-N 2 0 350.507 0.824 20 0 FCADRP CCC[NH+]1CCC2(CN(C(=O)COCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205516882 853619191 /nfs/dbraw/zinc/61/91/91/853619191.db2.gz ZWTLUXPSVGTXRL-DLBZAZTESA-N 2 0 353.507 0.914 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205519422 853620104 /nfs/dbraw/zinc/62/01/04/853620104.db2.gz MGFGJODXYWVWIL-DLBZAZTESA-N 2 0 353.507 0.912 20 0 FCADRP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001207396390 853808812 /nfs/dbraw/zinc/80/88/12/853808812.db2.gz HELBGPGSKFCCAD-LJQANCHMSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)CC1 ZINC001207393535 853808933 /nfs/dbraw/zinc/80/89/33/853808933.db2.gz BTRLVZJIIRTMQV-IIAWOOMASA-N 2 0 350.488 0.914 20 0 FCADRP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482199 853819044 /nfs/dbraw/zinc/81/90/44/853819044.db2.gz KPLXCEMOEPNSLZ-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](CC1(C)CC[NH+](C)CC1)C[C@@H]2C(=O)N(C)C ZINC001208116420 853898059 /nfs/dbraw/zinc/89/80/59/853898059.db2.gz UPPUYSYFZNQKLF-MRXNPFEDSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435110 853934426 /nfs/dbraw/zinc/93/44/26/853934426.db2.gz SQWYHMGZKODNFO-BRWVUGGUSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496103 853943590 /nfs/dbraw/zinc/94/35/90/853943590.db2.gz JQTXDGNMGKGXBM-HLLBOEOZSA-N 2 0 353.463 0.545 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208576021 853955105 /nfs/dbraw/zinc/95/51/05/853955105.db2.gz ZLNUTVAUFCYMSO-OAGGEKHMSA-N 2 0 353.511 0.569 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611939 853960404 /nfs/dbraw/zinc/96/04/04/853960404.db2.gz YPLFQBNEJRLACJ-HKUYNNGSSA-N 2 0 352.523 0.489 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960050 853984407 /nfs/dbraw/zinc/98/44/07/853984407.db2.gz WJJUJWCSJBTMNX-IPMKNSEASA-N 2 0 353.507 0.914 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329892 854100371 /nfs/dbraw/zinc/10/03/71/854100371.db2.gz JRQVRIFMVQWDHR-IXDOHACOSA-N 2 0 353.507 0.552 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210529442 854116695 /nfs/dbraw/zinc/11/66/95/854116695.db2.gz VUKQHCMAMPIGAG-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211024870 854147563 /nfs/dbraw/zinc/14/75/63/854147563.db2.gz AVQTZGQESRPCNA-QLFBSQMISA-N 2 0 353.511 0.472 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299897 854174737 /nfs/dbraw/zinc/17/47/37/854174737.db2.gz AYTRJZPNOJBZKN-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001211350724 854180228 /nfs/dbraw/zinc/18/02/28/854180228.db2.gz VWHGWKNSFYRRRA-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371037 854182727 /nfs/dbraw/zinc/18/27/27/854182727.db2.gz IXASISSXSINKES-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444074 854199845 /nfs/dbraw/zinc/19/98/45/854199845.db2.gz NGKHXMPIMOOMSB-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444102 854200374 /nfs/dbraw/zinc/20/03/74/854200374.db2.gz OTBYPDSDXZBJQG-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2OC)CC[N@@H+]1C ZINC001212299938 854432671 /nfs/dbraw/zinc/43/26/71/854432671.db2.gz RAGDJRRUDCWTCH-YLFCFFPRSA-N 2 0 357.495 0.195 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212453008 854485001 /nfs/dbraw/zinc/48/50/01/854485001.db2.gz OJTJZKOVGWPHIY-GVDBMIGSSA-N 2 0 353.507 0.839 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495313 854501323 /nfs/dbraw/zinc/50/13/23/854501323.db2.gz BTXRSXNGFYXWRB-DJIMGWMZSA-N 2 0 350.463 0.758 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213203837 854532130 /nfs/dbraw/zinc/53/21/30/854532130.db2.gz ZDUKVNLRLGBQLW-BZUAXINKSA-N 2 0 350.463 0.595 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213599143 854680557 /nfs/dbraw/zinc/68/05/57/854680557.db2.gz UQFMHWVCVHWJMV-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213599145 854680778 /nfs/dbraw/zinc/68/07/78/854680778.db2.gz UQFMHWVCVHWJMV-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213769271 854760545 /nfs/dbraw/zinc/76/05/45/854760545.db2.gz MSFWBNXYTCSKDA-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863125 854797215 /nfs/dbraw/zinc/79/72/15/854797215.db2.gz FBAQAMLUSKSYIQ-CGTJXYLNSA-N 2 0 353.507 0.960 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757120 855002454 /nfs/dbraw/zinc/00/24/54/855002454.db2.gz BQDDVNSPNQTDLQ-OWCLPIDISA-N 2 0 358.502 0.971 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C2)C1 ZINC001214845227 855021136 /nfs/dbraw/zinc/02/11/36/855021136.db2.gz KMJSEBGQZXDIKG-BRWVUGGUSA-N 2 0 352.523 0.925 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214847946 855022073 /nfs/dbraw/zinc/02/20/73/855022073.db2.gz ZWMKKRPXKYHYOG-VXGBXAGGSA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214855604 855023672 /nfs/dbraw/zinc/02/36/72/855023672.db2.gz HXVZISMSEMLCGI-BMFZPTHFSA-N 2 0 371.547 0.588 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214856185 855025083 /nfs/dbraw/zinc/02/50/83/855025083.db2.gz XTGKDAFWFLPSCA-UXIGCNINSA-N 2 0 365.503 0.858 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214863409 855025958 /nfs/dbraw/zinc/02/59/58/855025958.db2.gz LVKSXPFYBRCJOE-JKIFEVAISA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861431 855026019 /nfs/dbraw/zinc/02/60/19/855026019.db2.gz UAVJOXOXUGUVEC-GDBMZVCRSA-N 2 0 353.511 0.615 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214973288 855043244 /nfs/dbraw/zinc/04/32/44/855043244.db2.gz QHLMDPRZCBQHJN-UPJWGTAASA-N 2 0 364.412 0.586 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224897 855084651 /nfs/dbraw/zinc/08/46/51/855084651.db2.gz ZPKGBGYUSHIQGP-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215396901 855109921 /nfs/dbraw/zinc/10/99/21/855109921.db2.gz IXTVRBSWBFDQDO-YQFWSFKMSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)CS(C)(=O)=O ZINC001215413562 855111993 /nfs/dbraw/zinc/11/19/93/855111993.db2.gz ICHMLWFXAFYJLE-RBSFLKMASA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001215415598 855112225 /nfs/dbraw/zinc/11/22/25/855112225.db2.gz CBIRALOTIAUKDD-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413600 855112282 /nfs/dbraw/zinc/11/22/82/855112282.db2.gz ISJROFGBRHHBGQ-OWCLPIDISA-N 2 0 352.523 0.925 20 0 FCADRP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001215413799 855112357 /nfs/dbraw/zinc/11/23/57/855112357.db2.gz NOSYKEIGPWEKHC-IJEWVQPXSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccco1 ZINC001215463432 855118160 /nfs/dbraw/zinc/11/81/60/855118160.db2.gz WTIUBIXGFXJNLP-RBSFLKMASA-N 2 0 350.463 0.845 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001215463309 855118291 /nfs/dbraw/zinc/11/82/91/855118291.db2.gz QWGWOHYGGVTDRY-VXGBXAGGSA-N 2 0 352.401 0.395 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215536046 855125324 /nfs/dbraw/zinc/12/53/24/855125324.db2.gz FOEYHVGVYTWYTD-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001215539984 855126451 /nfs/dbraw/zinc/12/64/51/855126451.db2.gz FWRHEGGMUUHRKA-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215536639 855126638 /nfs/dbraw/zinc/12/66/38/855126638.db2.gz WKVLTRBQKOBMII-JHJVBQTASA-N 2 0 366.491 0.397 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001215568063 855128990 /nfs/dbraw/zinc/12/89/90/855128990.db2.gz KTLAPLIDLKTILL-HUUCEWRRSA-N 2 0 353.511 0.426 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215778412 855144706 /nfs/dbraw/zinc/14/47/06/855144706.db2.gz KDJPQTHRWPPIEX-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216225167 855180472 /nfs/dbraw/zinc/18/04/72/855180472.db2.gz AVZKPSVGWMAXAQ-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001216382834 855196468 /nfs/dbraw/zinc/19/64/68/855196468.db2.gz DNYLRNVFFZAACQ-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216401082 855199554 /nfs/dbraw/zinc/19/95/54/855199554.db2.gz GLYAFWCXKXBWTF-GDBMZVCRSA-N 2 0 350.463 0.605 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216406115 855200340 /nfs/dbraw/zinc/20/03/40/855200340.db2.gz ZFDITIQPPLVSCR-HUUCEWRRSA-N 2 0 369.531 0.344 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001216490594 855207347 /nfs/dbraw/zinc/20/73/47/855207347.db2.gz GCKPZPRQBJUYCG-BRWVUGGUSA-N 2 0 351.495 0.412 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216503649 855208672 /nfs/dbraw/zinc/20/86/72/855208672.db2.gz TZPXEYBSJFSISA-GDBMZVCRSA-N 2 0 350.463 0.674 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216511342 855209592 /nfs/dbraw/zinc/20/95/92/855209592.db2.gz OHCICSZGAYOIQB-HUUCEWRRSA-N 2 0 355.527 0.862 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216511388 855209791 /nfs/dbraw/zinc/20/97/91/855209791.db2.gz QLDLHJMLNIQJBH-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001216752397 855231937 /nfs/dbraw/zinc/23/19/37/855231937.db2.gz NIUSSJXEKCZLAK-FRRDWIJNSA-N 2 0 364.412 0.395 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216754274 855232593 /nfs/dbraw/zinc/23/25/93/855232593.db2.gz NXDMWUYLESPCCM-VXGBXAGGSA-N 2 0 350.385 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216754017 855232713 /nfs/dbraw/zinc/23/27/13/855232713.db2.gz DQSOWNWQAFGBCT-QLFBSQMISA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216754457 855232781 /nfs/dbraw/zinc/23/27/81/855232781.db2.gz VPIMUOJGLYLLLQ-GRYCIOLGSA-N 2 0 350.385 0.053 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216756004 855233267 /nfs/dbraw/zinc/23/32/67/855233267.db2.gz OACYZFGGUBJTTM-VXGBXAGGSA-N 2 0 352.464 0.009 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001216834132 855252732 /nfs/dbraw/zinc/25/27/32/855252732.db2.gz JYDQVMAPOOUVRH-RBSFLKMASA-N 2 0 350.463 0.104 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1 ZINC001218249858 855409644 /nfs/dbraw/zinc/40/96/44/855409644.db2.gz ZYFMIDGABXMQOW-MXWKQRLJSA-N 2 0 350.419 0.280 20 0 FCADRP O=C(Nc1cccn2c(Br)cnc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218566631 855441859 /nfs/dbraw/zinc/44/18/59/855441859.db2.gz FOTHXDUDUGFNFX-SECBINFHSA-N 2 0 350.220 0.844 20 0 FCADRP CCOc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cnc1Br ZINC001218580174 855443545 /nfs/dbraw/zinc/44/35/45/855443545.db2.gz XVUMZQWXYRMOGS-JTQLQIEISA-N 2 0 355.236 0.990 20 0 FCADRP CC(C)(C)[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218776454 855478547 /nfs/dbraw/zinc/47/85/47/855478547.db2.gz KZJJNYFLYJKGJE-SCVCMEIPSA-N 2 0 370.885 0.003 20 0 FCADRP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218852718 855486685 /nfs/dbraw/zinc/48/66/85/855486685.db2.gz DBJJSHXYSOYDND-OAHLLOKOSA-N 2 0 355.460 0.754 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218982956 855506623 /nfs/dbraw/zinc/50/66/23/855506623.db2.gz GUCTVCIZJVNWJZ-OAHLLOKOSA-N 2 0 354.476 0.617 20 0 FCADRP NC(=O)CC[C@H]([NH3+])CC(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280410 855615397 /nfs/dbraw/zinc/61/53/97/855615397.db2.gz DNAMPOPZUQHVLK-NSHDSACASA-N 2 0 351.426 0.476 20 0 FCADRP COC(Cc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1)OC ZINC001219443925 855673206 /nfs/dbraw/zinc/67/32/06/855673206.db2.gz CZIKRRFNDHBPCA-INIZCTEOSA-N 2 0 350.463 0.537 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Br)c2c1C(=O)NC2 ZINC001219444589 855673245 /nfs/dbraw/zinc/67/32/45/855673245.db2.gz WBHSNLWUHFIEMT-JTQLQIEISA-N 2 0 364.203 0.924 20 0 FCADRP [NH3+][C@@H](C(=O)NC1CCN(c2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001219565956 855717189 /nfs/dbraw/zinc/71/71/89/855717189.db2.gz QPQICCDWKMLLGU-OAHLLOKOSA-N 2 0 352.870 0.542 20 0 FCADRP Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001219595821 855725391 /nfs/dbraw/zinc/72/53/91/855725391.db2.gz RLXMNCASPAFYLI-KBPBESRZSA-N 2 0 353.492 0.515 20 0 FCADRP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219652307 855756212 /nfs/dbraw/zinc/75/62/12/855756212.db2.gz PRTANFZTCKVJBF-KURKYZTESA-N 2 0 353.507 0.552 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219744260 855796637 /nfs/dbraw/zinc/79/66/37/855796637.db2.gz VSMUHUFUMUDAPI-SJORKVTESA-N 2 0 350.507 0.478 20 0 FCADRP CO[C@H]([C@@H](C)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC001219795761 855816660 /nfs/dbraw/zinc/81/66/60/855816660.db2.gz FQLGLCPGKPEYPX-FHLIZLRMSA-N 3 0 352.523 0.722 20 0 FCADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219823961 855831669 /nfs/dbraw/zinc/83/16/69/855831669.db2.gz WKQBSGGBLLJXRH-QWHCGFSZSA-N 2 0 358.471 0.551 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219834673 855836886 /nfs/dbraw/zinc/83/68/86/855836886.db2.gz RXWVSNCVOLIMRS-GUIRCDHDSA-N 2 0 365.396 0.428 20 0 FCADRP [NH3+][C@H](Cc1ccccc1F)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834320 855837437 /nfs/dbraw/zinc/83/74/37/855837437.db2.gz PLPWOXCCTOXLRU-FDQGKXFDSA-N 2 0 351.422 0.207 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)C[NH2+]CC2 ZINC001219843922 855843142 /nfs/dbraw/zinc/84/31/42/855843142.db2.gz FSCDXABSJBPGMI-PXAZEXFGSA-N 2 0 351.472 0.519 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c2ccsc2)C1 ZINC001219847566 855844281 /nfs/dbraw/zinc/84/42/81/855844281.db2.gz KVXJLIILANKMTL-SMLCLMEVSA-N 2 0 364.515 0.848 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c2ccsc2)C1 ZINC001219847564 855844519 /nfs/dbraw/zinc/84/45/19/855844519.db2.gz KVXJLIILANKMTL-JSRQGNBESA-N 2 0 364.515 0.848 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851806 855846388 /nfs/dbraw/zinc/84/63/88/855846388.db2.gz GCNRSHBRXDZUBA-KFGODFMUSA-N 2 0 353.507 0.776 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919737 855878502 /nfs/dbraw/zinc/87/85/02/855878502.db2.gz LBNNTDMNKHXBMP-UAGQMJEPSA-N 2 0 350.463 0.230 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919736 855878662 /nfs/dbraw/zinc/87/86/62/855878662.db2.gz LBNNTDMNKHXBMP-OIISXLGYSA-N 2 0 350.463 0.230 20 0 FCADRP CS(=O)(=O)N(C(=O)c1ccc([C@@H](N)C[NH3+])cc1)c1ccc(C[NH3+])cc1 ZINC001219939132 855888721 /nfs/dbraw/zinc/88/87/21/855888721.db2.gz SGKNHAFACGKKDB-INIZCTEOSA-N 2 0 362.455 0.710 20 0 FCADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001219954353 855895208 /nfs/dbraw/zinc/89/52/08/855895208.db2.gz HJXXOGUJAMQGSD-HNNXBMFYSA-N 2 0 357.520 0.391 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CCC([NH3+])CC1 ZINC001220039841 855929523 /nfs/dbraw/zinc/92/95/23/855929523.db2.gz VNHRWJZJUPYLQG-XKZABGERSA-N 2 0 351.451 0.378 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103496 855962143 /nfs/dbraw/zinc/96/21/43/855962143.db2.gz UINYOYJVMPCXLB-AVGNSLFASA-N 3 0 374.555 0.059 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220253732 856030798 /nfs/dbraw/zinc/03/07/98/856030798.db2.gz ATWKOGLHHSBUSQ-GJZGRUSLSA-N 3 0 355.527 0.138 20 0 FCADRP O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220258670 856033629 /nfs/dbraw/zinc/03/36/29/856033629.db2.gz PIWJZCGJEFFHAF-KRWDZBQOSA-N 2 0 350.507 0.478 20 0 FCADRP [NH3+]CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)c1cccnc1 ZINC001220263738 856034803 /nfs/dbraw/zinc/03/48/03/856034803.db2.gz WEYDBYWHMLBMKG-LBPRGKRZSA-N 2 0 361.368 0.549 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1cnn(C)c1 ZINC001220308188 856056955 /nfs/dbraw/zinc/05/69/55/856056955.db2.gz GFIBVTDRBQJJBX-QEJZJMRPSA-N 2 0 350.467 0.045 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316378 856061421 /nfs/dbraw/zinc/06/14/21/856061421.db2.gz OULJLPBOGQHOJF-XUWXXGDYSA-N 2 0 353.463 0.607 20 0 FCADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387780 856100546 /nfs/dbraw/zinc/10/05/46/856100546.db2.gz QFRUTFNJUWACBE-ZACQAIPSSA-N 2 0 357.495 0.074 20 0 FCADRP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478851 856146510 /nfs/dbraw/zinc/14/65/10/856146510.db2.gz NHHGISUXNFLLRV-MSOLQXFVSA-N 2 0 355.523 0.942 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220500601 856156461 /nfs/dbraw/zinc/15/64/61/856156461.db2.gz JOVFPLFZMXLJAL-QWHCGFSZSA-N 2 0 360.380 0.979 20 0 FCADRP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517073 856163418 /nfs/dbraw/zinc/16/34/18/856163418.db2.gz UTHBPOVSUXOFIP-SJORKVTESA-N 2 0 351.495 0.656 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@@]1(N)CCC[NH2+]C1)S(=O)(=O)c1ccccc1 ZINC001220535741 856170987 /nfs/dbraw/zinc/17/09/87/856170987.db2.gz KVPOLBLEWVYITI-MRXNPFEDSA-N 2 0 354.476 0.022 20 0 FCADRP CC(C)([NH3+])CN(C(=O)[C@H]1CC[NH2+]C[C@@H]1F)S(=O)(=O)c1ccccc1 ZINC001220535928 856171392 /nfs/dbraw/zinc/17/13/92/856171392.db2.gz PZGZXLWUKQKCNZ-KBPBESRZSA-N 2 0 357.451 0.889 20 0 FCADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611428 856205447 /nfs/dbraw/zinc/20/54/47/856205447.db2.gz XFGWKKZHTMMKOI-XXRNEEKGSA-N 2 0 362.293 0.661 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)CC(C)(C)CC[NH3+] ZINC001220763434 856285870 /nfs/dbraw/zinc/28/58/70/856285870.db2.gz BUKXZYXNNQVMMN-CABCVRRESA-N 2 0 373.563 0.918 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001220768220 856289021 /nfs/dbraw/zinc/28/90/21/856289021.db2.gz AVWCKSIQHZTRFL-CABCVRRESA-N 2 0 363.449 0.551 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800697 856306340 /nfs/dbraw/zinc/30/63/40/856306340.db2.gz UFCMLDBRRINPRL-RWMBFGLXSA-N 3 0 364.412 0.096 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803136 856308438 /nfs/dbraw/zinc/30/84/38/856308438.db2.gz CEHGGWXRAQXXEZ-FIQHERPVSA-N 2 0 352.401 0.521 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)C[NH2+]C1 ZINC001220826883 856327137 /nfs/dbraw/zinc/32/71/37/856327137.db2.gz BCTLZWXCAYVPOJ-NSHDSACASA-N 2 0 355.435 0.362 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001220849846 856336824 /nfs/dbraw/zinc/33/68/24/856336824.db2.gz SBEWURGSPACPJT-KRWDZBQOSA-N 2 0 355.527 0.158 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H](c2ccsc2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220851477 856336923 /nfs/dbraw/zinc/33/69/23/856336923.db2.gz XNJOLBLVRDBHEF-AWEZNQCLSA-N 2 0 366.487 0.106 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220923316 856377331 /nfs/dbraw/zinc/37/73/31/856377331.db2.gz DXYLUSYKSJXNLA-INIZCTEOSA-N 2 0 350.438 0.860 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220924555 856377400 /nfs/dbraw/zinc/37/74/00/856377400.db2.gz XCLXOJZJNLQBSU-UHFFFAOYSA-N 2 0 350.438 0.733 20 0 FCADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976709 856403947 /nfs/dbraw/zinc/40/39/47/856403947.db2.gz LCJNLPOEBOHMCI-LMKMVOKYSA-N 2 0 369.506 0.950 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994208 856411731 /nfs/dbraw/zinc/41/17/31/856411731.db2.gz GRSJXZDPDZAXDE-SJORKVTESA-N 2 0 357.495 0.077 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220994392 856413715 /nfs/dbraw/zinc/41/37/15/856413715.db2.gz OQEJINYEGIIGTF-KURKYZTESA-N 2 0 353.507 0.983 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221154693 856488302 /nfs/dbraw/zinc/48/83/02/856488302.db2.gz AYYUSWPZCKROFE-HNNXBMFYSA-N 2 0 354.476 0.299 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CSCc1ccc(OC)cc1 ZINC001221190522 856508516 /nfs/dbraw/zinc/50/85/16/856508516.db2.gz QSHXRIPINNGCBT-GJZGRUSLSA-N 2 0 369.487 0.652 20 0 FCADRP C[C@@]1([NH3+])C[C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1 ZINC001221240877 856526754 /nfs/dbraw/zinc/52/67/54/856526754.db2.gz GNBOVCGYICXTDZ-KDYLLFBJSA-N 2 0 366.487 0.327 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221254375 856530893 /nfs/dbraw/zinc/53/08/93/856530893.db2.gz NAMCWKIRRALJPN-KKUMJFAQSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)S(C)(=O)=O)c(F)c1 ZINC001221262666 856532537 /nfs/dbraw/zinc/53/25/37/856532537.db2.gz MIDLFCGSQATFAU-PZWLIILKSA-N 2 0 359.398 0.743 20 0 FCADRP NC1(C(=O)NCCCP(CCC[NH3+])c2ccccc2)CC[NH2+]CC1 ZINC001221271761 856534806 /nfs/dbraw/zinc/53/48/06/856534806.db2.gz HVYBEOHUCQTZDO-UHFFFAOYSA-N 2 0 350.447 0.730 20 0 FCADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221372716 856555584 /nfs/dbraw/zinc/55/55/84/856555584.db2.gz RZQNZMDVCILZHD-AWEZNQCLSA-N 2 0 359.536 0.815 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnn(C)c(=O)c1Br ZINC001221401894 856558768 /nfs/dbraw/zinc/55/87/68/856558768.db2.gz QUAGPEQURHFSRW-JTQLQIEISA-N 2 0 374.283 0.977 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414038 856560254 /nfs/dbraw/zinc/56/02/54/856560254.db2.gz SBEPWRSOWKPRJX-DOTOQJQBSA-N 2 0 354.882 0.766 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407868 856560783 /nfs/dbraw/zinc/56/07/83/856560783.db2.gz FFUDXPCSXUVKOY-QPSCCSFWSA-N 2 0 354.495 0.532 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642649 856636418 /nfs/dbraw/zinc/63/64/18/856636418.db2.gz BXQYDMNJTUGIGV-BRWVUGGUSA-N 2 0 351.491 0.402 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221762337 856674653 /nfs/dbraw/zinc/67/46/53/856674653.db2.gz YPCZMTZVPTWZCK-FGTMMUONSA-N 2 0 353.507 0.650 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221962434 856750863 /nfs/dbraw/zinc/75/08/63/856750863.db2.gz CVYPUEZLRGJFRD-HZPDHXFCSA-N 2 0 351.495 0.276 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222788774 856872367 /nfs/dbraw/zinc/87/23/67/856872367.db2.gz ARSUGEGIMZHCDP-IKGGRYGDSA-N 2 0 359.486 0.598 20 0 FCADRP O=C(N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001223057843 856892808 /nfs/dbraw/zinc/89/28/08/856892808.db2.gz CGQPPFNAHRKDAL-SJORKVTESA-N 2 0 351.491 0.547 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223392810 856913197 /nfs/dbraw/zinc/91/31/97/856913197.db2.gz DHIWDIBVDDYLQA-CVEARBPZSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223424913 856914718 /nfs/dbraw/zinc/91/47/18/856914718.db2.gz JBKZHNBOGOJRKZ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223837936 856945408 /nfs/dbraw/zinc/94/54/08/856945408.db2.gz CVFGWGMGJJPCNK-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226615572 857115110 /nfs/dbraw/zinc/11/51/10/857115110.db2.gz YHLQUHJSSJQQHR-MGPQQGTHSA-N 2 0 353.467 0.073 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O)C1CC1 ZINC001226800854 857126702 /nfs/dbraw/zinc/12/67/02/857126702.db2.gz OXWAYKAESAHNEM-NUJGCVRESA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O)[NH+](C)C ZINC001227057554 857139518 /nfs/dbraw/zinc/13/95/18/857139518.db2.gz VBDLSPXAPXABAX-BRWVUGGUSA-N 2 0 356.511 0.496 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227704019 857170762 /nfs/dbraw/zinc/17/07/62/857170762.db2.gz QPUIRHYGWITDCE-KZNAEPCWSA-N 2 0 353.507 0.887 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228205719 857197563 /nfs/dbraw/zinc/19/75/63/857197563.db2.gz CVCIFBFLHYVLSZ-ARFHVFGLSA-N 2 0 353.463 0.979 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001228239813 857198457 /nfs/dbraw/zinc/19/84/57/857198457.db2.gz ZUOZKFZDCNKXKI-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228261202 857199214 /nfs/dbraw/zinc/19/92/14/857199214.db2.gz IDUYJWIJTJSPGG-BRWVUGGUSA-N 2 0 359.511 0.369 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366904 857206162 /nfs/dbraw/zinc/20/61/62/857206162.db2.gz WUCKGNUGPAKMKJ-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001228661107 857221094 /nfs/dbraw/zinc/22/10/94/857221094.db2.gz NRPJASPBGHIRTC-KFWWJZLASA-N 2 0 362.540 0.235 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001228661885 857221390 /nfs/dbraw/zinc/22/13/90/857221390.db2.gz ZDOSYJKVNUJFGJ-OAGGEKHMSA-N 2 0 354.495 0.202 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001229852372 857290526 /nfs/dbraw/zinc/29/05/26/857290526.db2.gz FQMZDRRCAUKBAC-KFWWJZLASA-N 2 0 352.479 0.541 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001230141391 857306947 /nfs/dbraw/zinc/30/69/47/857306947.db2.gz JAQDSVRAVYXYFH-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149255 857307982 /nfs/dbraw/zinc/30/79/82/857307982.db2.gz BIHJXYFZRCEMBJ-BZUAXINKSA-N 2 0 354.495 0.108 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235273562 857420897 /nfs/dbraw/zinc/42/08/97/857420897.db2.gz LQKOKPYATWDLOS-NILFDRSVSA-N 2 0 365.396 0.728 20 0 FCADRP COc1cc(OC)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1 ZINC001235871102 857433623 /nfs/dbraw/zinc/43/36/23/857433623.db2.gz TWABKYVCWOPLBU-UHFFFAOYSA-N 2 0 352.479 0.297 20 0 FCADRP COc1ccc(Br)c(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235872092 857433849 /nfs/dbraw/zinc/43/38/49/857433849.db2.gz ZQBJJIGJQDRFIV-UHFFFAOYSA-N 2 0 372.311 0.437 20 0 FCADRP COc1cc(CN(CC[NH3+])CC[NH3+])cc(I)c1O ZINC001235877139 857434749 /nfs/dbraw/zinc/43/47/49/857434749.db2.gz LIFDYXVCVDZSPN-UHFFFAOYSA-N 2 0 365.215 0.725 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(N2CCCCC2)o1 ZINC001236307038 857438201 /nfs/dbraw/zinc/43/82/01/857438201.db2.gz BWHNONPEPATMIC-UHFFFAOYSA-N 2 0 351.495 0.886 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnccc1Br ZINC001236311310 857438985 /nfs/dbraw/zinc/43/89/85/857438985.db2.gz ISYZIBYOFYRMBW-UHFFFAOYSA-N 2 0 358.284 0.460 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn2cccc(Cl)c2n1 ZINC001236311880 857439983 /nfs/dbraw/zinc/43/99/83/857439983.db2.gz LDVUSIQQAKWQQW-UHFFFAOYSA-N 2 0 352.870 0.604 20 0 FCADRP N[C@H]1NC(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385760 857440712 /nfs/dbraw/zinc/44/07/12/857440712.db2.gz FZGFSKRVWRAMEY-KRWDZBQOSA-N 2 0 355.552 0.430 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1csc(-c2ccncc2)n1 ZINC001236315619 857441171 /nfs/dbraw/zinc/44/11/71/857441171.db2.gz QSPXMLPQSBUCTI-UHFFFAOYSA-N 2 0 362.503 0.821 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)Nc1cc(F)ccc1N1CC[NH2+]CC1 ZINC001237838739 857458810 /nfs/dbraw/zinc/45/88/10/857458810.db2.gz ZNXKYYDBYCPGPE-UHFFFAOYSA-N 2 0 356.467 0.977 20 0 FCADRP COC(=O)c1ccc(OC)c(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001238878564 857485572 /nfs/dbraw/zinc/48/55/72/857485572.db2.gz HZZMKBXZMSMDMC-UHFFFAOYSA-N 2 0 359.448 0.089 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001238878508 857485834 /nfs/dbraw/zinc/48/58/34/857485834.db2.gz ABGUCAORTXSDAW-UHFFFAOYSA-N 2 0 356.448 0.014 20 0 FCADRP CCOC(=O)[C@H]1CC2(CN1S(=O)(=O)CC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001239000749 857498217 /nfs/dbraw/zinc/49/82/17/857498217.db2.gz NMWPHGXRXQJIPW-OAHLLOKOSA-N 2 0 373.519 0.323 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239078142 857508145 /nfs/dbraw/zinc/50/81/45/857508145.db2.gz YNEAGXPOOPZBCC-HNNXBMFYSA-N 2 0 355.508 0.206 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CCC[C@@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001239081401 857509478 /nfs/dbraw/zinc/50/94/78/857509478.db2.gz QHXQSOQGZNCYST-QGZVFWFLSA-N 2 0 368.503 0.285 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001239082198 857509643 /nfs/dbraw/zinc/50/96/43/857509643.db2.gz VCBITUSQVYIVGC-HNNXBMFYSA-N 2 0 374.457 0.903 20 0 FCADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1C ZINC001239132004 857517634 /nfs/dbraw/zinc/51/76/34/857517634.db2.gz YFPMTTCZKFYQHW-UHFFFAOYSA-N 2 0 356.492 0.108 20 0 FCADRP CC(C)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239130756 857517829 /nfs/dbraw/zinc/51/78/29/857517829.db2.gz FLBDHIORUMWFSU-UHFFFAOYSA-N 2 0 370.519 0.615 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001239146083 857522828 /nfs/dbraw/zinc/52/28/28/857522828.db2.gz SPLGVBSFRZEANR-UHFFFAOYSA-N 2 0 352.504 0.965 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCc1ccc(F)cc1 ZINC001239450888 857529765 /nfs/dbraw/zinc/52/97/65/857529765.db2.gz HQGJVPOJBKBWID-UHFFFAOYSA-N 2 0 355.483 0.316 20 0 FCADRP C[C@H](NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC001239453448 857530171 /nfs/dbraw/zinc/53/01/71/857530171.db2.gz VUDPDLBZOZNNJU-ZDUSSCGKSA-N 2 0 369.510 0.877 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(F)c2NC[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245968485 857562094 /nfs/dbraw/zinc/56/20/94/857562094.db2.gz SFWZZCVKEMTKPY-ZIAGYGMSSA-N 2 0 352.454 0.641 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC1(O)CC[NH2+]CC1)C2 ZINC001246030064 857565704 /nfs/dbraw/zinc/56/57/04/857565704.db2.gz CAWOKXJBPGJIGU-CABCVRRESA-N 2 0 365.396 0.118 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1C(=O)OC ZINC001246138159 857568983 /nfs/dbraw/zinc/56/89/83/857568983.db2.gz ATXOHVHWXQHQRU-APIJFGDWSA-N 2 0 353.463 0.191 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@@H]2CCCC[C@@]23C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246159846 857570304 /nfs/dbraw/zinc/57/03/04/857570304.db2.gz LETUKPCVQMSAJT-LJIGWXMPSA-N 2 0 354.520 0.141 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CN[C@](CC)(C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246239361 857571377 /nfs/dbraw/zinc/57/13/77/857571377.db2.gz XPOXMIVALSLBMN-MPGHIAIKSA-N 2 0 355.479 0.581 20 0 FCADRP CC(C)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215904 857571413 /nfs/dbraw/zinc/57/14/13/857571413.db2.gz KTPWMTCPZFBAES-MSOLQXFVSA-N 3 0 361.527 0.378 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246214951 857571673 /nfs/dbraw/zinc/57/16/73/857571673.db2.gz GYGHQLKIZAHDIK-QGZVFWFLSA-N 3 0 359.511 0.276 20 0 FCADRP C[C@H]1C[C@@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC001246274901 857572469 /nfs/dbraw/zinc/57/24/69/857572469.db2.gz BYERELGNXFXMED-IRXDYDNUSA-N 2 0 366.531 0.723 20 0 FCADRP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246519597 857583619 /nfs/dbraw/zinc/58/36/19/857583619.db2.gz NNUOLROLAJKENS-CVEARBPZSA-N 2 0 354.495 0.333 20 0 FCADRP COCCN1CCN(C)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1=O ZINC001246683845 857589790 /nfs/dbraw/zinc/58/97/90/857589790.db2.gz AVAJMNOHUZNUEL-SJPCQFCGSA-N 2 0 350.507 0.524 20 0 FCADRP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246748672 857596939 /nfs/dbraw/zinc/59/69/39/857596939.db2.gz CADFFRBNVOCXMC-OWCLPIDISA-N 2 0 361.515 0.721 20 0 FCADRP COCCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246805807 857600885 /nfs/dbraw/zinc/60/08/85/857600885.db2.gz DUIKMTHVNBGVNG-JYJNAYRXSA-N 2 0 356.536 0.340 20 0 FCADRP Brc1cnc(O[C@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807503 857602035 /nfs/dbraw/zinc/60/20/35/857602035.db2.gz KKXOHXJKAPXLQW-STQMWFEESA-N 2 0 368.279 0.786 20 0 FCADRP CC(C)(C)OC(=O)C1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246823526 857602109 /nfs/dbraw/zinc/60/21/09/857602109.db2.gz VMSCKKCMKNCIQE-UHFFFAOYSA-N 2 0 354.539 0.971 20 0 FCADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2Cc2ccccc2)C[NH2+]1)N1CCSC1 ZINC001246832254 857602203 /nfs/dbraw/zinc/60/22/03/857602203.db2.gz FWLWAHRGHQSRLK-KURKYZTESA-N 2 0 360.527 0.766 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N(CC[NH+](C)C)C3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246988413 857608517 /nfs/dbraw/zinc/60/85/17/857608517.db2.gz ONJFQSDREVKKSE-BHBVFMNGSA-N 3 0 352.523 0.674 20 0 FCADRP COc1ncc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)cc1Br ZINC001247851998 857617785 /nfs/dbraw/zinc/61/77/85/857617785.db2.gz POSXKYKIXPMFMK-UHFFFAOYSA-N 2 0 366.219 0.963 20 0 FCADRP COCC[N@@H+]1CCOC[C@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001249834149 857651394 /nfs/dbraw/zinc/65/13/94/857651394.db2.gz IIRUVMSBZAWEDV-QGZVFWFLSA-N 2 0 358.552 0.483 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H](O)C(F)(F)F)CC2 ZINC001250968514 857673167 /nfs/dbraw/zinc/67/31/67/857673167.db2.gz CBJDOAMAGRECNZ-CYBMUJFWSA-N 2 0 366.428 0.080 20 0 FCADRP C[N@@H+]1CCCN(CC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453466 857724450 /nfs/dbraw/zinc/72/44/50/857724450.db2.gz OHULMHJKXMBAHB-SFHVURJKSA-N 2 0 356.511 0.585 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)CCC1=O ZINC001251583971 857733337 /nfs/dbraw/zinc/73/33/37/857733337.db2.gz PNQQNBKLVABESN-GFCCVEGCSA-N 2 0 373.391 0.360 20 0 FCADRP CN(C)C1(C[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)CC[NH+](C)CC1 ZINC001251622496 857735967 /nfs/dbraw/zinc/73/59/67/857735967.db2.gz NRHVRVBHKONPQJ-GFCCVEGCSA-N 2 0 359.408 0.880 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185134 857870410 /nfs/dbraw/zinc/87/04/10/857870410.db2.gz CTYGLQDISCENHE-QGZVFWFLSA-N 2 0 354.539 0.708 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)CNCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001253409160 857887639 /nfs/dbraw/zinc/88/76/39/857887639.db2.gz QCEABHPLMAHGLE-KRWDZBQOSA-N 2 0 354.539 0.802 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001253811063 857918195 /nfs/dbraw/zinc/91/81/95/857918195.db2.gz PMCWUKQPFGCTSR-INIZCTEOSA-N 2 0 355.479 0.367 20 0 FCADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254855664 857988540 /nfs/dbraw/zinc/98/85/40/857988540.db2.gz QBJBDGPCCFIWPH-HNNXBMFYSA-N 2 0 367.519 0.622 20 0 FCADRP O=C(Cn1cc(Cl)cn1)N1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001279616171 862982339 /nfs/dbraw/zinc/98/23/39/862982339.db2.gz WYVGCICWDTXMGR-IYBDPMFKSA-N 2 0 367.881 0.448 20 0 FCADRP CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032504 858049615 /nfs/dbraw/zinc/04/96/15/858049615.db2.gz QIHKYMVMKJJRHG-BRWVUGGUSA-N 2 0 355.479 0.886 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256500527 858085176 /nfs/dbraw/zinc/08/51/76/858085176.db2.gz KFYBZHFSKFCDGW-KGLIPLIRSA-N 2 0 358.483 0.408 20 0 FCADRP CCOC(=O)c1ccc(C[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O)cc1 ZINC001257153897 858122006 /nfs/dbraw/zinc/12/20/06/858122006.db2.gz MJWVPGXKIBKYNO-ZDUSSCGKSA-N 2 0 353.423 0.932 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@H]1C(=O)OC ZINC001257721397 858157046 /nfs/dbraw/zinc/15/70/46/858157046.db2.gz UVBIAFBHYMBCAR-BZUAXINKSA-N 2 0 356.463 0.411 20 0 FCADRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257923673 858165870 /nfs/dbraw/zinc/16/58/70/858165870.db2.gz QKNMOJYIRGQVNJ-OAHLLOKOSA-N 2 0 365.540 0.345 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)N(CCN(C)C)CCN(C)C ZINC001257934301 858168998 /nfs/dbraw/zinc/16/89/98/858168998.db2.gz BUIOORNEPVKSBF-OAHLLOKOSA-N 2 0 365.540 0.168 20 0 FCADRP CCC[NH+]1CCC([N@@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001258777849 858210696 /nfs/dbraw/zinc/21/06/96/858210696.db2.gz KLKREQPXNZNUKF-QGZVFWFLSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23C[NH+](CCN2CCOCC2)C3)CC1 ZINC001279771446 863053906 /nfs/dbraw/zinc/05/39/06/863053906.db2.gz JEKVNXCLKQNVMZ-KRWDZBQOSA-N 2 0 350.507 0.193 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001262035540 858763410 /nfs/dbraw/zinc/76/34/10/858763410.db2.gz NBZFPRURUSRSQC-HNNXBMFYSA-N 2 0 368.503 0.447 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046565 858765545 /nfs/dbraw/zinc/76/55/45/858765545.db2.gz SSSVERNJICTCAE-ZWKOTPCHSA-N 2 0 352.523 0.679 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001262063645 858769296 /nfs/dbraw/zinc/76/92/96/858769296.db2.gz FKBRLENRSRDOLK-GDBMZVCRSA-N 2 0 354.495 0.378 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccccc2F)CC1=O ZINC001262574514 859004551 /nfs/dbraw/zinc/00/45/51/859004551.db2.gz UNWWVGQLZLCHKI-PBHICJAKSA-N 2 0 353.438 0.628 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001262590929 859011521 /nfs/dbraw/zinc/01/15/21/859011521.db2.gz ABTANDUZRZKNKU-OAHLLOKOSA-N 2 0 354.495 0.243 20 0 FCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001263129383 859108497 /nfs/dbraw/zinc/10/84/97/859108497.db2.gz KOABMBUQLHQFNR-NUEKZKHPSA-N 2 0 351.495 0.497 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001263183026 859118434 /nfs/dbraw/zinc/11/84/34/859118434.db2.gz GFLAPQNFWHLNSG-JKSUJKDBSA-N 2 0 358.552 0.370 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001264545776 859381797 /nfs/dbraw/zinc/38/17/97/859381797.db2.gz ZVYSDKSESMGIEN-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)C[NH+]3CCCC3)(C1)C2 ZINC001270094634 859650381 /nfs/dbraw/zinc/65/03/81/859650381.db2.gz CEIXIPHQOYIHDQ-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCCC3)C2)C1=O ZINC001270165356 859673388 /nfs/dbraw/zinc/67/33/88/859673388.db2.gz HYNUNMOVHAYHSN-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001270237730 859695887 /nfs/dbraw/zinc/69/58/87/859695887.db2.gz QFXRAMFAYKBUQJ-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001272744868 860244896 /nfs/dbraw/zinc/24/48/96/860244896.db2.gz LNOQLBSMBLCSSI-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831550 860275484 /nfs/dbraw/zinc/27/54/84/860275484.db2.gz NRLRYXSRMAOJIZ-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001273454243 860493821 /nfs/dbraw/zinc/49/38/21/860493821.db2.gz NKTQVJHYBXKPIQ-GPMSIDNRSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@H](C(=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1)[NH+]1CCCC1 ZINC001273503861 860510364 /nfs/dbraw/zinc/51/03/64/860510364.db2.gz QFELTPHJKXACTJ-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001273512704 860515357 /nfs/dbraw/zinc/51/53/57/860515357.db2.gz WWTFWMXONICLGD-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273667012 860562363 /nfs/dbraw/zinc/56/23/63/860562363.db2.gz ZGVQUBYESLPTEG-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001273789038 860600115 /nfs/dbraw/zinc/60/01/15/860600115.db2.gz NCSBZSGCXIUWPN-BEFAXECRSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274085078 860675055 /nfs/dbraw/zinc/67/50/55/860675055.db2.gz XMRISDOHAJWFAE-INIZCTEOSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1)[NH+](C)C ZINC001275222743 860994108 /nfs/dbraw/zinc/99/41/08/860994108.db2.gz KEKNBBWXAPKCFS-MJGOQNOKSA-N 2 0 352.523 0.975 20 0 FCADRP CCNC(=O)CN1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508497 861115113 /nfs/dbraw/zinc/11/51/13/861115113.db2.gz UZKXIFRTPIOCCR-GOSISDBHSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507883 861115536 /nfs/dbraw/zinc/11/55/36/861115536.db2.gz LJEIKRXVGLQEJV-LJQANCHMSA-N 2 0 352.523 0.977 20 0 FCADRP COCCCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556913 861127570 /nfs/dbraw/zinc/12/75/70/861127570.db2.gz QJVPMLOVERAGFC-LJQANCHMSA-N 2 0 353.507 0.916 20 0 FCADRP COC(=O)CCC[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279884116 863113407 /nfs/dbraw/zinc/11/34/07/863113407.db2.gz MBINTYPAEUKRBE-HNNXBMFYSA-N 2 0 369.531 0.958 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]12 ZINC001279894464 863121286 /nfs/dbraw/zinc/12/12/86/863121286.db2.gz QYYUKTOCRBNJQO-OWCLPIDISA-N 2 0 352.479 0.510 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC(=O)N(C)C ZINC001279913491 863131991 /nfs/dbraw/zinc/13/19/91/863131991.db2.gz DJCYPLPYUZZTRL-MXSMSXNCSA-N 2 0 352.523 0.879 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001279975554 863161837 /nfs/dbraw/zinc/16/18/37/863161837.db2.gz KCSIDZIYOIXGFH-UHFFFAOYSA-N 2 0 350.536 0.717 20 0 FCADRP C[NH+](C)CCNC(=S)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279975648 863161856 /nfs/dbraw/zinc/16/18/56/863161856.db2.gz NKIUOWWGJUBABD-UHFFFAOYSA-N 2 0 350.536 0.717 20 0 FCADRP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=S)NCC[NH+](C)C)(C1)CCC2 ZINC001279975535 863161956 /nfs/dbraw/zinc/16/19/56/863161956.db2.gz JLXYSZUDJMZGPL-SJORKVTESA-N 2 0 355.552 0.535 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001279975987 863162050 /nfs/dbraw/zinc/16/20/50/863162050.db2.gz VZSJGDYFGZIQRS-UHFFFAOYSA-N 2 0 369.579 0.689 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC001280023828 863193331 /nfs/dbraw/zinc/19/33/31/863193331.db2.gz SQNJKKQTKSAORE-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP COC(C)(C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CCN1CC2 ZINC001280056629 863227062 /nfs/dbraw/zinc/22/70/62/863227062.db2.gz SNTBASMZVFZOON-BBWFWOEESA-N 2 0 351.491 0.807 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001280125665 863276639 /nfs/dbraw/zinc/27/66/39/863276639.db2.gz MWOWPAXNTGCNBF-INIZCTEOSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC23C[NH+](CC2COC(C)(C)OC2)C3)CC1 ZINC001280127920 863278493 /nfs/dbraw/zinc/27/84/93/863278493.db2.gz XXLYGJHCCUCMMP-MRXNPFEDSA-N 2 0 351.491 0.918 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](CC4(C)COC4)C[C@H]23)CC1 ZINC001280180645 863311499 /nfs/dbraw/zinc/31/14/99/863311499.db2.gz OSFILIOTFCBZCO-LSDHHAIUSA-N 2 0 350.463 0.262 20 0 FCADRP C[NH+](C)CCN1CCC([NH+]2CCC(C(=O)Nc3nnco3)CC2)CC1 ZINC001280220773 863344862 /nfs/dbraw/zinc/34/48/62/863344862.db2.gz GOBADPASRZZGKV-UHFFFAOYSA-N 2 0 350.467 0.746 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)N(C)CCOC)=NO[C@@H]3C2)CC1 ZINC001280254898 863362079 /nfs/dbraw/zinc/36/20/79/863362079.db2.gz CXWQRNDOYOTEQA-JKSUJKDBSA-N 2 0 352.479 0.510 20 0 FCADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257154 863364990 /nfs/dbraw/zinc/36/49/90/863364990.db2.gz GJWYJCLEYBDPTQ-HPBDAGMYSA-N 2 0 351.491 0.570 20 0 FCADRP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259061 863366675 /nfs/dbraw/zinc/36/66/75/863366675.db2.gz VODKAOHTIQIKHI-MLHJIOFPSA-N 2 0 353.507 0.912 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)[NH+](C)C ZINC001281851568 863824501 /nfs/dbraw/zinc/82/45/01/863824501.db2.gz CZYCEWNKADOHEE-QLFBSQMISA-N 2 0 354.495 0.010 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001282304449 864179397 /nfs/dbraw/zinc/17/93/97/864179397.db2.gz IPVKQLZSHOVLKR-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@@H+]1C ZINC001283435994 864500207 /nfs/dbraw/zinc/50/02/07/864500207.db2.gz ZBTLWBGHQIXUFC-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001295040018 865869853 /nfs/dbraw/zinc/86/98/53/865869853.db2.gz VSFRVXAAGJYZPF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[NH2+]CC1 ZINC001349612604 866393010 /nfs/dbraw/zinc/39/30/10/866393010.db2.gz PWAYZCFQQGFMTQ-UHFFFAOYSA-N 2 0 353.444 0.274 20 0 FCADRP CSCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001350297452 866559045 /nfs/dbraw/zinc/55/90/45/866559045.db2.gz XGGGHULNVLGSPX-UHFFFAOYSA-N 2 0 364.515 0.575 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC001352850309 867275047 /nfs/dbraw/zinc/27/50/47/867275047.db2.gz QTHISHWZUOZRPP-CMPLNLGQSA-N 2 0 360.384 0.802 20 0 FCADRP CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001353442770 867423527 /nfs/dbraw/zinc/42/35/27/867423527.db2.gz PFLOSWCPKQMYLP-YUELXQCFSA-N 2 0 353.467 0.005 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC001353519407 867442705 /nfs/dbraw/zinc/44/27/05/867442705.db2.gz XSJIFALDFDZGBC-LVQVYYBASA-N 2 0 351.495 0.546 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(=O)N(C)C3CC3)CCCC2)CC[N@@H+]1C ZINC001318637431 867713539 /nfs/dbraw/zinc/71/35/39/867713539.db2.gz YHHNHHAPXVTEKD-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP Cn1cc(N2CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)cn1 ZINC001319048195 867815060 /nfs/dbraw/zinc/81/50/60/867815060.db2.gz UEPVBZCMYYJAGE-HNNXBMFYSA-N 2 0 351.499 0.134 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CSCC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001319950026 868043548 /nfs/dbraw/zinc/04/35/48/868043548.db2.gz FEUVQLYSAXXAPF-IYBDPMFKSA-N 2 0 370.563 0.540 20 0 FCADRP C[C@H]1C[NH+](CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001357365668 868105610 /nfs/dbraw/zinc/10/56/10/868105610.db2.gz CNYGYBGQPDATRN-GJZGRUSLSA-N 2 0 352.479 0.891 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001357397412 868110012 /nfs/dbraw/zinc/11/00/12/868110012.db2.gz PZHLBCXFHCLXQK-INIZCTEOSA-N 2 0 354.495 0.237 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323856577 869387093 /nfs/dbraw/zinc/38/70/93/869387093.db2.gz BWIUWRLEKKGVTC-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001325346092 869858938 /nfs/dbraw/zinc/85/89/38/869858938.db2.gz LNJSGQUMRKVBSW-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)(C)[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC001325373554 869868334 /nfs/dbraw/zinc/86/83/34/869868334.db2.gz XBCUDAAWXGNZJF-ZDUSSCGKSA-N 2 0 365.444 0.948 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001325724339 870002024 /nfs/dbraw/zinc/00/20/24/870002024.db2.gz WCOBQALDCFLCHJ-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)COC3CCOCC3)CC2)CC1 ZINC001325872240 870070229 /nfs/dbraw/zinc/07/02/29/870070229.db2.gz UTBDPNYIPKJGAX-SFHVURJKSA-N 2 0 355.523 0.691 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCCCC1 ZINC001327391778 870835242 /nfs/dbraw/zinc/83/52/42/870835242.db2.gz NIVQMZMFEYWPCH-KXBFYZLASA-N 2 0 350.507 0.955 20 0 FCADRP Cc1ccsc1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001327403187 870844809 /nfs/dbraw/zinc/84/48/09/870844809.db2.gz UJEFEWHTDDBAAK-UHFFFAOYSA-N 2 0 354.520 0.667 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@@H]3[C@H]1CCC[N@@H+]3CCO)C2 ZINC001346537625 871890921 /nfs/dbraw/zinc/89/09/21/871890921.db2.gz KWCPJUVGJIKLHL-ZIAGYGMSSA-N 2 0 365.503 0.611 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC001329240849 871907463 /nfs/dbraw/zinc/90/74/63/871907463.db2.gz KXIYOYVORRJKSB-YNEHKIRRSA-N 2 0 364.412 0.382 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606330 871928565 /nfs/dbraw/zinc/92/85/65/871928565.db2.gz KKTFQOMPHSDIPW-OWCLPIDISA-N 2 0 355.527 0.107 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@H]2[NH3+])cn1 ZINC001329651977 872156719 /nfs/dbraw/zinc/15/67/19/872156719.db2.gz OBDJVKLZNOQSKZ-UONOGXRCSA-N 2 0 360.487 0.911 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC(C)C)C[C@@H]1C ZINC001347438697 872333736 /nfs/dbraw/zinc/33/37/36/872333736.db2.gz PANDKHBAMOUWNE-KBPBESRZSA-N 2 0 350.467 0.950 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCOCC1 ZINC001329936037 872375033 /nfs/dbraw/zinc/37/50/33/872375033.db2.gz BNLINGPNSFWGHU-CQSZACIVSA-N 2 0 350.467 0.433 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001348128457 872603999 /nfs/dbraw/zinc/60/39/99/872603999.db2.gz ODNBFKDBCGFWKE-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001330593638 872722172 /nfs/dbraw/zinc/72/21/72/872722172.db2.gz VSXCREJZJRGZHI-CMPLNLGQSA-N 2 0 354.405 0.964 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001331375627 873082489 /nfs/dbraw/zinc/08/24/89/873082489.db2.gz QIRHBASHQCTMBP-HNNXBMFYSA-N 2 0 352.479 0.087 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331453705 873110898 /nfs/dbraw/zinc/11/08/98/873110898.db2.gz OBNMCHKVDZESDL-SJLPKXTDSA-N 2 0 353.511 0.163 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC001331557720 873145833 /nfs/dbraw/zinc/14/58/33/873145833.db2.gz PTQBCCASWMZCEK-RYTJFDOTSA-N 2 0 350.507 0.999 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2)CC1 ZINC001331969023 873319703 /nfs/dbraw/zinc/31/97/03/873319703.db2.gz MOWUBCVELDOQIF-INIZCTEOSA-N 2 0 368.503 0.529 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001331970468 873319792 /nfs/dbraw/zinc/31/97/92/873319792.db2.gz ULFHIDOPIYZKKN-BHYGNILZSA-N 2 0 367.515 0.775 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC001332251831 873423545 /nfs/dbraw/zinc/42/35/45/873423545.db2.gz UCYZMJYGPPALSR-MRXNPFEDSA-N 2 0 354.495 0.202 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001332511490 873537763 /nfs/dbraw/zinc/53/77/63/873537763.db2.gz QHBFSYQQWXMZBQ-HUUCEWRRSA-N 2 0 351.499 0.439 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)CC1 ZINC001332563684 873559683 /nfs/dbraw/zinc/55/96/83/873559683.db2.gz MSXAAYVAFAJGBO-UHFFFAOYSA-N 2 0 350.507 0.336 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332574855 873563480 /nfs/dbraw/zinc/56/34/80/873563480.db2.gz WYIWEPVZGWFKSX-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP NC(=O)CN1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001332680124 873613881 /nfs/dbraw/zinc/61/38/81/873613881.db2.gz RQHUXMFWGSOMRD-OAHLLOKOSA-N 2 0 354.520 0.270 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1ccccc1-c1nn[nH]n1 ZINC000821599139 945735363 /nfs/dbraw/zinc/73/53/63/945735363.db2.gz HATTYAFDPJKBMI-UHFFFAOYSA-N 2 0 359.478 0.815 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000826181593 947560908 /nfs/dbraw/zinc/56/09/08/947560908.db2.gz GBGRLQXMPBTQQU-UHFFFAOYSA-N 2 0 359.478 0.945 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573743136 948667301 /nfs/dbraw/zinc/66/73/01/948667301.db2.gz YLWJJQUVVRBWDM-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926148 948988164 /nfs/dbraw/zinc/98/81/64/948988164.db2.gz JJVUNHFZUVZWDK-CYBMUJFWSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926429 949001079 /nfs/dbraw/zinc/00/10/79/949001079.db2.gz QEBGTAFVWZQBBO-LBPRGKRZSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001575256541 949256877 /nfs/dbraw/zinc/25/68/77/949256877.db2.gz WDIJFBORTFFEOX-NEPJUHHUSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574705169 949416096 /nfs/dbraw/zinc/41/60/96/949416096.db2.gz RWFFTQRMGRMESE-LBPRGKRZSA-N 2 0 356.434 0.038 20 0 FCADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574705755 949436342 /nfs/dbraw/zinc/43/63/42/949436342.db2.gz UVUMCCHBPFCVPC-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574955851 949571107 /nfs/dbraw/zinc/57/11/07/949571107.db2.gz GAXXRULCKHOZMQ-WOSRLPQWSA-N 2 0 357.462 0.801 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713108 949596732 /nfs/dbraw/zinc/59/67/32/949596732.db2.gz VYDRWWMHNCWHNE-XJKSGUPXSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957337 949609325 /nfs/dbraw/zinc/60/93/25/949609325.db2.gz VIZBBBWNRCLCKF-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718453 949782356 /nfs/dbraw/zinc/78/23/56/949782356.db2.gz XKPXPRNLWIDSQN-KBPBESRZSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575283682 949882643 /nfs/dbraw/zinc/88/26/43/949882643.db2.gz GRRWZHIMYYFKOF-OLZOCXBDSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575907604 950340440 /nfs/dbraw/zinc/34/04/40/950340440.db2.gz PMBRRPNWWUXWOX-AAEUAGOBSA-N 2 0 363.491 0.959 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576196751 950373558 /nfs/dbraw/zinc/37/35/58/950373558.db2.gz GWFDDPAPUUYWOT-CQSZACIVSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199270 950417668 /nfs/dbraw/zinc/41/76/68/950417668.db2.gz YATITKUTTGKQOG-WMLDXEAASA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981382 950589104 /nfs/dbraw/zinc/58/91/04/950589104.db2.gz KTJYSFPOTAYICO-SWLSCSKDSA-N 2 0 356.434 0.181 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575093024 951797388 /nfs/dbraw/zinc/79/73/88/951797388.db2.gz HDDZVMSGJDJOPP-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113769 951945052 /nfs/dbraw/zinc/94/50/52/951945052.db2.gz FXCYNMVULDIFAO-UKRRQHHQSA-N 2 0 357.462 0.660 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063387 951966365 /nfs/dbraw/zinc/96/63/65/951966365.db2.gz LMYIULTXCPSVRF-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571064055 951970804 /nfs/dbraw/zinc/97/08/04/951970804.db2.gz QQKRLVGTAKNFFB-KBRIMQKVSA-N 2 0 369.473 0.897 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571064664 951977428 /nfs/dbraw/zinc/97/74/28/951977428.db2.gz WMKRRXDAWYMWCT-DJIMGWMZSA-N 2 0 369.473 0.945 20 0 FCADRP CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571075685 952093390 /nfs/dbraw/zinc/09/33/90/952093390.db2.gz ATOBSMWEQKNRGQ-ZDUSSCGKSA-N 2 0 370.461 0.571 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001571076052 952103957 /nfs/dbraw/zinc/10/39/57/952103957.db2.gz JYMNAFMSCLMHJQ-CYBMUJFWSA-N 2 0 370.461 0.571 20 0 FCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078691 952132733 /nfs/dbraw/zinc/13/27/33/952132733.db2.gz SGOKKQZKWRFCJO-MELADBBJSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078931 952135612 /nfs/dbraw/zinc/13/56/12/952135612.db2.gz YBWXVJAMIBYFJW-CJNGLKHVSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078932 952136298 /nfs/dbraw/zinc/13/62/98/952136298.db2.gz YBWXVJAMIBYFJW-CZUORRHYSA-N 2 0 370.461 0.489 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575146448 952194382 /nfs/dbraw/zinc/19/43/82/952194382.db2.gz LEYAYPWTXZUXQC-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001571088515 952213550 /nfs/dbraw/zinc/21/35/50/952213550.db2.gz MGWPRUOGRRTHQA-SFHVURJKSA-N 2 0 371.489 0.612 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105720 952400791 /nfs/dbraw/zinc/40/07/91/952400791.db2.gz XLIDTPQNBBOVLP-CQSZACIVSA-N 2 0 373.436 0.792 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1=O ZINC000291900617 214063496 /nfs/dbraw/zinc/06/34/96/214063496.db2.gz PVOZGGKYHHECMI-RDJZCZTQSA-N 2 0 364.465 0.955 20 0 FCADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C)C1=O ZINC000265804189 210224748 /nfs/dbraw/zinc/22/47/48/210224748.db2.gz ZLTWDUMVGZMHHI-QGZVFWFLSA-N 2 0 374.489 0.466 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000410983668 529807131 /nfs/dbraw/zinc/80/71/31/529807131.db2.gz QBTXLZLHKQSMQG-ZWKOTPCHSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000329192182 214835192 /nfs/dbraw/zinc/83/51/92/214835192.db2.gz RWHYVQGKVKDJNS-UHFFFAOYSA-N 2 0 363.506 0.074 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000331484354 215003745 /nfs/dbraw/zinc/00/37/45/215003745.db2.gz UPJFWOUYHPOVPW-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000331458745 215000474 /nfs/dbraw/zinc/00/04/74/215000474.db2.gz PVBBCHSPRSCECH-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCSC1 ZINC000331540174 215012301 /nfs/dbraw/zinc/01/23/01/215012301.db2.gz PKIXURVDXPGELU-JKIFEVAISA-N 2 0 354.520 0.093 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562852 215016125 /nfs/dbraw/zinc/01/61/25/215016125.db2.gz SKKUKRAWWWLETD-RKVPGOIHSA-N 2 0 368.547 0.483 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331581970 215019093 /nfs/dbraw/zinc/01/90/93/215019093.db2.gz FUBDMSVYUDQTNJ-HLLBOEOZSA-N 2 0 366.506 0.284 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331649099 215029165 /nfs/dbraw/zinc/02/91/65/215029165.db2.gz QUSDALGFYDOMRC-HZPDHXFCSA-N 2 0 351.495 0.454 20 0 FCADRP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331718164 215039059 /nfs/dbraw/zinc/03/90/59/215039059.db2.gz PVIAZOSRRJPHOB-PMPSAXMXSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C[C@@H]1[NH3+] ZINC000331776555 215046368 /nfs/dbraw/zinc/04/63/68/215046368.db2.gz JSYHUXABEQVAHF-VQHPVUNQSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000331796483 215046794 /nfs/dbraw/zinc/04/67/94/215046794.db2.gz LILHLCJLEOAHEG-BRWVUGGUSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000331801121 215049023 /nfs/dbraw/zinc/04/90/23/215049023.db2.gz QQWGRXPIAGOLAT-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000331848033 215056301 /nfs/dbraw/zinc/05/63/01/215056301.db2.gz VNHOYJBYIJVXKO-ZACQAIPSSA-N 2 0 366.506 0.001 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000331848019 215056628 /nfs/dbraw/zinc/05/66/28/215056628.db2.gz VNHOYJBYIJVXKO-IXDOHACOSA-N 2 0 366.506 0.001 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331860139 215057907 /nfs/dbraw/zinc/05/79/07/215057907.db2.gz BFQOXSXYKXLTLX-JJXSEGSLSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000332013779 215078918 /nfs/dbraw/zinc/07/89/18/215078918.db2.gz UETPFKNCDRZSAQ-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000332076277 215087158 /nfs/dbraw/zinc/08/71/58/215087158.db2.gz ZEUDVFAAYIOJFV-DOTOQJQBSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000332082252 215088354 /nfs/dbraw/zinc/08/83/54/215088354.db2.gz NWJNQQFZGWGYJB-UHFFFAOYSA-N 2 0 360.506 0.789 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000332078491 215089071 /nfs/dbraw/zinc/08/90/71/215089071.db2.gz ZSYHMTJNHVEYRC-HNNXBMFYSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000332098479 215093215 /nfs/dbraw/zinc/09/32/15/215093215.db2.gz XYEMBVVXKDKGQE-ZOBUZTSGSA-N 2 0 366.506 0.332 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332162027 215103461 /nfs/dbraw/zinc/10/34/61/215103461.db2.gz QCNJOAQSQQJHJT-DOTOQJQBSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000332225083 215112323 /nfs/dbraw/zinc/11/23/23/215112323.db2.gz YXGDELLPXYMOHK-JKSUJKDBSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1C ZINC000332256069 215116656 /nfs/dbraw/zinc/11/66/56/215116656.db2.gz CSKDWMQYLUFIQJ-WOYTXXSLSA-N 2 0 350.507 0.903 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000332509541 215163480 /nfs/dbraw/zinc/16/34/80/215163480.db2.gz JEYGGNBZKFVLRZ-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@@H](C)O1 ZINC000332531083 215170335 /nfs/dbraw/zinc/17/03/35/215170335.db2.gz QHDFXGITEZGWLD-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332519149 215166342 /nfs/dbraw/zinc/16/63/42/215166342.db2.gz JJGWAANBVLJSDO-DOTOQJQBSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@H]([C@H](C)NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)N1CCOCC1 ZINC000332816957 215212208 /nfs/dbraw/zinc/21/22/08/215212208.db2.gz KEBUPPQMBZMPQG-YYIAUSFCSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@H](NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000332816956 215213007 /nfs/dbraw/zinc/21/30/07/215213007.db2.gz KEBUPPQMBZMPQG-LTIDMASMSA-N 2 0 354.495 0.600 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1=CC[NH+](C)CC1 ZINC000332885074 215216493 /nfs/dbraw/zinc/21/64/93/215216493.db2.gz QSJQLLSRMTWDNP-WBVHZDCISA-N 2 0 363.506 0.585 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000333167876 215245414 /nfs/dbraw/zinc/24/54/14/215245414.db2.gz HRDUXSZDMDONOL-INIZCTEOSA-N 2 0 354.495 0.638 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000333298172 215260646 /nfs/dbraw/zinc/26/06/46/215260646.db2.gz IOIPAQBYRVRFNG-GVDBMIGSSA-N 2 0 354.495 0.635 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCSC1 ZINC000333393015 215275456 /nfs/dbraw/zinc/27/54/56/215275456.db2.gz PAHHPSAWVHLOPF-HTWSVDAQSA-N 2 0 369.579 0.939 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406132 215276103 /nfs/dbraw/zinc/27/61/03/215276103.db2.gz ZICGCLIMXDCUBJ-HZPDHXFCSA-N 2 0 359.478 0.977 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333618508 215301646 /nfs/dbraw/zinc/30/16/46/215301646.db2.gz RIHQFWFSOZTGRT-BZUAXINKSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333641279 215303652 /nfs/dbraw/zinc/30/36/52/215303652.db2.gz IHQFHZVXXRNXDA-ZIAGYGMSSA-N 2 0 363.428 0.702 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644634 215305153 /nfs/dbraw/zinc/30/51/53/215305153.db2.gz XXOVHPKISNXSOQ-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000333694446 215309170 /nfs/dbraw/zinc/30/91/70/215309170.db2.gz QAYPXUBIOJAYDW-QZTJIDSGSA-N 2 0 372.517 0.987 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333802765 215320306 /nfs/dbraw/zinc/32/03/06/215320306.db2.gz IATPCQWZFWKPEU-AEFFLSMTSA-N 2 0 365.522 0.616 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811421 215321493 /nfs/dbraw/zinc/32/14/93/215321493.db2.gz JJJNBSRZUBXWRE-FGTMMUONSA-N 2 0 367.538 0.421 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851119 215324234 /nfs/dbraw/zinc/32/42/34/215324234.db2.gz QAXZMHOTJSJXHK-ZDRJDWQYSA-N 2 0 363.506 0.511 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000333835014 215323412 /nfs/dbraw/zinc/32/34/12/215323412.db2.gz NEXIEKJQXLNRFP-MRXNPFEDSA-N 2 0 353.511 0.304 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333871753 215326840 /nfs/dbraw/zinc/32/68/40/215326840.db2.gz BVBHKTGXGHBNNK-YESZJQIVSA-N 2 0 365.522 0.570 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333943919 215333089 /nfs/dbraw/zinc/33/30/89/215333089.db2.gz RMJWCNSTGNUIKQ-UHFFFAOYSA-N 2 0 354.520 0.732 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000360977255 215377007 /nfs/dbraw/zinc/37/70/07/215377007.db2.gz NCAPVXXAKXHXMZ-KURKYZTESA-N 2 0 368.522 0.584 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443031 213342855 /nfs/dbraw/zinc/34/28/55/213342855.db2.gz ZCLOGPUHKBPREQ-JKSUJKDBSA-N 2 0 359.474 0.943 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000930958696 674081829 /nfs/dbraw/zinc/08/18/29/674081829.db2.gz XSPWUHUDPZJGOK-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086599 213280472 /nfs/dbraw/zinc/28/04/72/213280472.db2.gz PPASVVZKLIIMJW-QAPCUYQASA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086588 213280869 /nfs/dbraw/zinc/28/08/69/213280869.db2.gz PPASVVZKLIIMJW-CRAIPNDOSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCn2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000283991969 213049577 /nfs/dbraw/zinc/04/95/77/213049577.db2.gz OQZSNZHJYGCXHZ-WBVHZDCISA-N 2 0 355.442 0.779 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000283965906 213044348 /nfs/dbraw/zinc/04/43/48/213044348.db2.gz IEQGDPKQESRUOD-HNNXBMFYSA-N 2 0 370.519 0.552 20 0 FCADRP C[NH+](C)CC(C)(C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413630143 237366566 /nfs/dbraw/zinc/36/65/66/237366566.db2.gz UFWZJAHQVRCSKQ-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230909 216095480 /nfs/dbraw/zinc/09/54/80/216095480.db2.gz LFEPFYDXPKGENH-IUODEOHRSA-N 2 0 365.396 0.966 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262209189 209546931 /nfs/dbraw/zinc/54/69/31/209546931.db2.gz IRLXFWUIMHFVCV-INIZCTEOSA-N 2 0 363.506 0.513 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000368125848 216205827 /nfs/dbraw/zinc/20/58/27/216205827.db2.gz NYGSVLOXSYQDOI-JKSUJKDBSA-N 2 0 366.487 0.498 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000246162295 209381246 /nfs/dbraw/zinc/38/12/46/209381246.db2.gz CUWLFURKIOKSHO-DLBZAZTESA-N 2 0 370.563 0.335 20 0 FCADRP CN1CCN([C@H](C(=O)NCCCN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000237230561 209349621 /nfs/dbraw/zinc/34/96/21/209349621.db2.gz PDARRWZEGWBQBX-IBGZPJMESA-N 2 0 359.518 0.387 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nnn1C1CC[NH2+]CC1 ZINC000236798227 209344996 /nfs/dbraw/zinc/34/49/96/209344996.db2.gz QHNAOQFEEKQMFO-MRXNPFEDSA-N 2 0 364.494 0.598 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402716 216396899 /nfs/dbraw/zinc/39/68/99/216396899.db2.gz RWEUJUOMCSQJAJ-CVEARBPZSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190214354 209269807 /nfs/dbraw/zinc/26/98/07/209269807.db2.gz OFZNFEGQMIJBPP-CQSZACIVSA-N 2 0 352.483 0.754 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)C1 ZINC000188757951 209238655 /nfs/dbraw/zinc/23/86/55/209238655.db2.gz XNAVSTCWFOCRQF-YESZJQIVSA-N 2 0 362.449 0.700 20 0 FCADRP C[C@@H](O)C[N@H+](Cc1ccccc1C[NH+](C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188016 /nfs/dbraw/zinc/18/80/16/212188016.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 2 0 368.518 0.814 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000373337455 217009257 /nfs/dbraw/zinc/00/92/57/217009257.db2.gz BZNVIPZGXINNMR-KRWDZBQOSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000414660868 245308404 /nfs/dbraw/zinc/30/84/04/245308404.db2.gz NVUCMDWMECKBSA-KRWDZBQOSA-N 2 0 362.474 0.818 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000414684437 245310169 /nfs/dbraw/zinc/31/01/69/245310169.db2.gz VRNSWCYEJLZTEA-HUUCEWRRSA-N 2 0 362.474 0.960 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000414737425 245319671 /nfs/dbraw/zinc/31/96/71/245319671.db2.gz ZESSIZPGLREICV-UHFFFAOYSA-N 2 0 374.485 0.915 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000414828989 245324666 /nfs/dbraw/zinc/32/46/66/245324666.db2.gz LVFAYAJAUXSRDI-INIZCTEOSA-N 2 0 374.485 0.915 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000414820757 245326965 /nfs/dbraw/zinc/32/69/65/245326965.db2.gz DDUHDRVRZYKEPK-KRWDZBQOSA-N 2 0 374.485 0.915 20 0 FCADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414889121 245330208 /nfs/dbraw/zinc/33/02/08/245330208.db2.gz SUMXDTWESCAYQL-MRXNPFEDSA-N 2 0 360.458 0.906 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000415036484 245341847 /nfs/dbraw/zinc/34/18/47/245341847.db2.gz LIQOUWPZQJMYAL-ZBFHGGJFSA-N 2 0 353.488 0.925 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954523 245336571 /nfs/dbraw/zinc/33/65/71/245336571.db2.gz LIYQITMXISPMEB-BLLLJJGKSA-N 2 0 358.442 0.706 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000415253997 245368110 /nfs/dbraw/zinc/36/81/10/245368110.db2.gz JPSIUBBWCKSQIH-QGZVFWFLSA-N 2 0 362.474 0.698 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+]CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415283619 245376623 /nfs/dbraw/zinc/37/66/23/245376623.db2.gz UBPUYJMDLQZWLR-UHFFFAOYSA-N 2 0 373.501 0.896 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415312708 245384916 /nfs/dbraw/zinc/38/49/16/245384916.db2.gz GVXYVSUUZIWKJA-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000415329804 245387784 /nfs/dbraw/zinc/38/77/84/245387784.db2.gz NKADFLNDKCRCRB-KRWDZBQOSA-N 2 0 359.474 0.241 20 0 FCADRP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1)N1CCOCC1 ZINC000415344493 245392659 /nfs/dbraw/zinc/39/26/59/245392659.db2.gz NQEOJOSLXJWNKJ-CABCVRRESA-N 2 0 360.458 0.839 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1COCCN1C1CCCC1 ZINC000373526408 217028897 /nfs/dbraw/zinc/02/88/97/217028897.db2.gz CRHXRPSEWZIPEU-ROUUACIJSA-N 2 0 353.507 0.983 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000415352298 245396667 /nfs/dbraw/zinc/39/66/67/245396667.db2.gz KFLOPFMXYQSGEP-INIZCTEOSA-N 2 0 359.474 0.322 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076090 209157089 /nfs/dbraw/zinc/15/70/89/209157089.db2.gz LIMCNEXFEXBUOA-FUHWJXTLSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1=O ZINC000374918554 217190416 /nfs/dbraw/zinc/19/04/16/217190416.db2.gz SJNCZQOETVMBIZ-TVFCKZIOSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891233 209153380 /nfs/dbraw/zinc/15/33/80/209153380.db2.gz KPAZKKJJVWYXDS-AWEZNQCLSA-N 2 0 350.467 0.660 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)ccn1 ZINC000183223412 209143069 /nfs/dbraw/zinc/14/30/69/209143069.db2.gz XOKZOFCVOQLHOL-UHFFFAOYSA-N 2 0 362.474 0.959 20 0 FCADRP Cc1nnc(COCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000375745509 217307751 /nfs/dbraw/zinc/30/77/51/217307751.db2.gz QTJVJJPEPRXTHW-ZDUSSCGKSA-N 2 0 353.492 0.648 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745189 217308109 /nfs/dbraw/zinc/30/81/09/217308109.db2.gz PYFXRZYEMWKUGC-VVLHAWIVSA-N 2 0 354.495 0.600 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000417524419 245705124 /nfs/dbraw/zinc/70/51/24/245705124.db2.gz JLBHBTMQSJWJNS-QGZVFWFLSA-N 2 0 350.463 0.457 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375961363 217338452 /nfs/dbraw/zinc/33/84/52/217338452.db2.gz BGDBSNKXNNHGET-QGZVFWFLSA-N 2 0 350.507 0.528 20 0 FCADRP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000418182687 245763926 /nfs/dbraw/zinc/76/39/26/245763926.db2.gz OBCNRAGNYGWCNN-OZSLIKBDSA-N 2 0 365.522 0.696 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418422963 245784170 /nfs/dbraw/zinc/78/41/70/245784170.db2.gz BPNDACLFFRHLHN-OAGGEKHMSA-N 2 0 353.511 0.650 20 0 FCADRP CC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000376304980 217381028 /nfs/dbraw/zinc/38/10/28/217381028.db2.gz XPLKURSIZGHMQF-ALOPSCKCSA-N 2 0 365.522 0.854 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000376390048 217392861 /nfs/dbraw/zinc/39/28/61/217392861.db2.gz ZBYAJBJUPYHZFT-HMQMGEFJSA-N 2 0 351.491 0.760 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000418939051 245918049 /nfs/dbraw/zinc/91/80/49/245918049.db2.gz QJHWBFRAMSTTIX-IRXDYDNUSA-N 2 0 368.522 0.724 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419126286 246001473 /nfs/dbraw/zinc/00/14/73/246001473.db2.gz MHXHLOAPBXHHHB-HNNXBMFYSA-N 2 0 355.527 0.008 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419157275 246021310 /nfs/dbraw/zinc/02/13/10/246021310.db2.gz UUEIMMXIYRPODW-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419158833 246024851 /nfs/dbraw/zinc/02/48/51/246024851.db2.gz YLBIVIZUEVAFBG-INIZCTEOSA-N 2 0 362.474 0.583 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419130985 246006298 /nfs/dbraw/zinc/00/62/98/246006298.db2.gz BSHCHRBKPGSIFF-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131314 246007812 /nfs/dbraw/zinc/00/78/12/246007812.db2.gz CKGGTTGAAGCUIN-LSDHHAIUSA-N 2 0 364.515 0.897 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000419135491 246009381 /nfs/dbraw/zinc/00/93/81/246009381.db2.gz MXEZVZPCEQKABZ-JJXSEGSLSA-N 2 0 352.523 0.973 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000419139438 246011332 /nfs/dbraw/zinc/01/13/32/246011332.db2.gz URSQFAPZGARTDY-ZWKOTPCHSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136476 246011682 /nfs/dbraw/zinc/01/16/82/246011682.db2.gz PENJOZWZCMELJB-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419140812 246013533 /nfs/dbraw/zinc/01/35/33/246013533.db2.gz WECBLDIZJMHPLE-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419145205 246015109 /nfs/dbraw/zinc/01/51/09/246015109.db2.gz AATFWPVMAIELBP-RBUKOAKNSA-N 2 0 372.513 0.926 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419165478 246028818 /nfs/dbraw/zinc/02/88/18/246028818.db2.gz GLIYTFVIMNWTKV-HZPDHXFCSA-N 2 0 354.495 0.252 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419166622 246031245 /nfs/dbraw/zinc/03/12/45/246031245.db2.gz HQXCFMJPPFKQAE-ROUUACIJSA-N 2 0 358.486 0.535 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419170872 246032635 /nfs/dbraw/zinc/03/26/35/246032635.db2.gz ODOSKPQOUODXAN-MSOLQXFVSA-N 2 0 358.486 0.535 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419170900 246033292 /nfs/dbraw/zinc/03/32/92/246033292.db2.gz OGMZTROLVAXXRI-RXVVDRJESA-N 2 0 372.513 0.865 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000419178760 246038126 /nfs/dbraw/zinc/03/81/26/246038126.db2.gz GYAVIOWZHDSXPQ-DLBZAZTESA-N 2 0 366.506 0.476 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419194720 246045691 /nfs/dbraw/zinc/04/56/91/246045691.db2.gz TXGPLXAFBFNNPS-SFHVURJKSA-N 2 0 358.486 0.944 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419207356 246055533 /nfs/dbraw/zinc/05/55/33/246055533.db2.gz MKIOYEJGNIEQEN-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419210938 246057525 /nfs/dbraw/zinc/05/75/25/246057525.db2.gz RUXIDKRRMRIWPG-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212214 246057747 /nfs/dbraw/zinc/05/77/47/246057747.db2.gz UJJPLBQTTPPXTI-QZTJIDSGSA-N 2 0 374.485 0.262 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419216024 246058471 /nfs/dbraw/zinc/05/84/71/246058471.db2.gz OVSQCOCMFAVFSC-DAYGRLMNSA-N 2 0 374.485 0.472 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419215887 246060375 /nfs/dbraw/zinc/06/03/75/246060375.db2.gz OKCZZHRAOSJTGD-IRXDYDNUSA-N 2 0 374.485 0.311 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419222437 246061570 /nfs/dbraw/zinc/06/15/70/246061570.db2.gz WZKXXGVKRRARNC-AEFFLSMTSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000419222028 246061619 /nfs/dbraw/zinc/06/16/19/246061619.db2.gz WPOCOMGMHWQLBE-HZPDHXFCSA-N 2 0 374.485 0.344 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419224941 246065776 /nfs/dbraw/zinc/06/57/76/246065776.db2.gz GFMKPSSWBWHXKG-KRWDZBQOSA-N 2 0 362.518 0.969 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419224467 246065982 /nfs/dbraw/zinc/06/59/82/246065982.db2.gz FMXANBRUTBCMER-PBHICJAKSA-N 2 0 350.507 0.953 20 0 FCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419197466 246048898 /nfs/dbraw/zinc/04/88/98/246048898.db2.gz BYFSDXAWUIMIKC-SFHVURJKSA-N 2 0 356.470 0.803 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419202309 246050013 /nfs/dbraw/zinc/05/00/13/246050013.db2.gz GZTVIMRYUOBTEJ-LSDHHAIUSA-N 2 0 362.474 0.452 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C[C@@H]21 ZINC000419228624 246068341 /nfs/dbraw/zinc/06/83/41/246068341.db2.gz MOHKARMAIDUCAQ-VSZNYVQBSA-N 2 0 362.518 0.953 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419235292 246070197 /nfs/dbraw/zinc/07/01/97/246070197.db2.gz YTBGYZWSCZNOPZ-TVFCKZIOSA-N 2 0 362.518 0.871 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419234957 246070708 /nfs/dbraw/zinc/07/07/08/246070708.db2.gz YEXFZEFTHKXXMI-SOLBZPMBSA-N 2 0 358.486 0.834 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419233996 246070742 /nfs/dbraw/zinc/07/07/42/246070742.db2.gz XCUPAUJDQRHRNF-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419235354 246071250 /nfs/dbraw/zinc/07/12/50/246071250.db2.gz YVQALCBVNNIEJG-IAGOWNOFSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000419234953 246071898 /nfs/dbraw/zinc/07/18/98/246071898.db2.gz YEXFZEFTHKXXMI-NUJGCVRESA-N 2 0 358.486 0.834 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419240221 246074728 /nfs/dbraw/zinc/07/47/28/246074728.db2.gz QYSONUHJHDJJMT-HIFRSBDPSA-N 2 0 354.495 0.596 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419245283 246077275 /nfs/dbraw/zinc/07/72/75/246077275.db2.gz LLUINUWUKRAHES-HZPDHXFCSA-N 2 0 360.502 0.985 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419253397 246077661 /nfs/dbraw/zinc/07/76/61/246077661.db2.gz UHBXSOMYGFTLMS-INMHGKMJSA-N 2 0 358.486 0.819 20 0 FCADRP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)nc1 ZINC000419302998 246092120 /nfs/dbraw/zinc/09/21/20/246092120.db2.gz RBMQZRIPNVTUMQ-GASCZTMLSA-N 2 0 359.474 0.684 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316472 246095555 /nfs/dbraw/zinc/09/55/55/246095555.db2.gz QGNTYTSQONTTRQ-GOSISDBHSA-N 2 0 360.502 0.469 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373042 246122460 /nfs/dbraw/zinc/12/24/60/246122460.db2.gz MAJMHAMATVGDJE-ROUUACIJSA-N 2 0 372.513 0.836 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419374816 246123063 /nfs/dbraw/zinc/12/30/63/246123063.db2.gz PIZMXPYJUHTSIY-QAPCUYQASA-N 2 0 372.513 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](C)[NH2+]1 ZINC000419380008 246124201 /nfs/dbraw/zinc/12/42/01/246124201.db2.gz WSJCOCIASLAIIF-HUUCEWRRSA-N 2 0 358.486 0.411 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000419386558 246128259 /nfs/dbraw/zinc/12/82/59/246128259.db2.gz DSUXAALEOWYNMN-HNNXBMFYSA-N 2 0 358.486 0.760 20 0 FCADRP O=C(NC[C@H]1CSCCN1Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419389946 246128724 /nfs/dbraw/zinc/12/87/24/246128724.db2.gz FTJYQYPGHWEDAD-CVEARBPZSA-N 2 0 362.499 0.198 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419412465 246146684 /nfs/dbraw/zinc/14/66/84/246146684.db2.gz CIIGRHGTACGZJI-NXOAAHMSSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412857 246147693 /nfs/dbraw/zinc/14/76/93/246147693.db2.gz DMFGQSBOTAKRBC-QZTJIDSGSA-N 2 0 373.501 0.041 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000419415619 246148912 /nfs/dbraw/zinc/14/89/12/246148912.db2.gz VMBZMYDIUSBFBA-APWZRJJASA-N 2 0 362.449 0.757 20 0 FCADRP O=C(NC[C@H]1CSCCN1Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419389947 246131134 /nfs/dbraw/zinc/13/11/34/246131134.db2.gz FTJYQYPGHWEDAD-HOTGVXAUSA-N 2 0 362.499 0.198 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399705 246134235 /nfs/dbraw/zinc/13/42/35/246134235.db2.gz KEZPGGIMYXJYBO-QGTPRVQTSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407757 246143051 /nfs/dbraw/zinc/14/30/51/246143051.db2.gz YZXUMPSJEDBKGU-SOLBZPMBSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419411492 246143625 /nfs/dbraw/zinc/14/36/25/246143625.db2.gz PWKIUWPIXZNSFK-CVEARBPZSA-N 2 0 350.438 0.755 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000419411988 246144669 /nfs/dbraw/zinc/14/46/69/246144669.db2.gz QHMUZUBAKGKTLW-CZUORRHYSA-N 2 0 350.438 0.660 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419410047 246145167 /nfs/dbraw/zinc/14/51/67/246145167.db2.gz OAJMUTGOFQRTPS-JKSUJKDBSA-N 2 0 366.437 0.121 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419424049 246157326 /nfs/dbraw/zinc/15/73/26/246157326.db2.gz NUNUEYNKXAZCLF-HZPDHXFCSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419418564 246151968 /nfs/dbraw/zinc/15/19/68/246151968.db2.gz IHNLIBIEPQAVRR-QFBILLFUSA-N 2 0 372.513 0.994 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419419425 246152348 /nfs/dbraw/zinc/15/23/48/246152348.db2.gz ZHJWQZWEEQRNDJ-MSOLQXFVSA-N 2 0 358.486 0.808 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419503808 246183362 /nfs/dbraw/zinc/18/33/62/246183362.db2.gz FHQJPQQFJFFNEW-QZTJIDSGSA-N 2 0 358.486 0.835 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419509083 246185659 /nfs/dbraw/zinc/18/56/59/246185659.db2.gz SMGGYJDBJDFSIC-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000419513116 246188338 /nfs/dbraw/zinc/18/83/38/246188338.db2.gz LHBMNGOBMWZQGB-UHFFFAOYSA-N 2 0 373.501 0.055 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419525831 246191823 /nfs/dbraw/zinc/19/18/23/246191823.db2.gz DPCYWXISFBMLPW-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000419476918 246175691 /nfs/dbraw/zinc/17/56/91/246175691.db2.gz QNQUUHDNZAPUAC-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419475106 246175799 /nfs/dbraw/zinc/17/57/99/246175799.db2.gz DEOHBHYZKMVLFK-BRWVUGGUSA-N 2 0 352.523 0.977 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000419528057 246193126 /nfs/dbraw/zinc/19/31/26/246193126.db2.gz VYEXRATZWJCTTF-IAGOWNOFSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419481870 246178816 /nfs/dbraw/zinc/17/88/16/246178816.db2.gz PVLJIEBFGXJGKN-MHORFTMASA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419484727 246178879 /nfs/dbraw/zinc/17/88/79/246178879.db2.gz UKTOMFCCBIGLBH-ZACQAIPSSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534747 246194530 /nfs/dbraw/zinc/19/45/30/246194530.db2.gz QQCRWQVYDLKEDC-WBVHZDCISA-N 2 0 358.486 0.834 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533703 246194837 /nfs/dbraw/zinc/19/48/37/246194837.db2.gz PAXNCTVFWOJWBV-RANZSIQMSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419537717 246195067 /nfs/dbraw/zinc/19/50/67/246195067.db2.gz WECGFHCJWXNHDA-NXHRZFHOSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC[N@@H+]1C ZINC000419539313 246197615 /nfs/dbraw/zinc/19/76/15/246197615.db2.gz AXWACODMZPKKON-XBVQOTNRSA-N 2 0 366.506 0.330 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419664647 246236693 /nfs/dbraw/zinc/23/66/93/246236693.db2.gz MMVMLYKUQFKZOD-CVEARBPZSA-N 2 0 359.474 0.800 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419667350 246236734 /nfs/dbraw/zinc/23/67/34/246236734.db2.gz RXECUIOLPOAQIV-QGZVFWFLSA-N 2 0 359.474 0.754 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000419665157 246237298 /nfs/dbraw/zinc/23/72/98/246237298.db2.gz SXPWAVCIYHKDOC-SOLBZPMBSA-N 2 0 358.486 0.976 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000419672088 246239865 /nfs/dbraw/zinc/23/98/65/246239865.db2.gz AASMFJVZBMMBPV-AWEZNQCLSA-N 2 0 354.520 0.318 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419678421 246244822 /nfs/dbraw/zinc/24/48/22/246244822.db2.gz DQUBGSTWMUXRQT-CVEARBPZSA-N 2 0 366.506 0.381 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000419684279 246249071 /nfs/dbraw/zinc/24/90/71/246249071.db2.gz LTBKSUOYWGBFIT-HZPDHXFCSA-N 2 0 366.506 0.333 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419721199 246270069 /nfs/dbraw/zinc/27/00/69/246270069.db2.gz GKJCQSBTNCTNJA-MRXNPFEDSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702971 246258940 /nfs/dbraw/zinc/25/89/40/246258940.db2.gz CVAGTEUAGLQVTG-OWLYRPNTSA-N 2 0 356.470 0.443 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CCCC2)CC1 ZINC000419750160 246282436 /nfs/dbraw/zinc/28/24/36/246282436.db2.gz ILBXSHPLVAALFA-OAHLLOKOSA-N 2 0 366.506 0.476 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419754883 246284374 /nfs/dbraw/zinc/28/43/74/246284374.db2.gz BGZXRKIMNWDFFU-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)CCCC2)CC1 ZINC000419757546 246287204 /nfs/dbraw/zinc/28/72/04/246287204.db2.gz UPVHFQUFBCSVSB-HNNXBMFYSA-N 2 0 366.506 0.394 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419755656 246287308 /nfs/dbraw/zinc/28/73/08/246287308.db2.gz QWAJIYFTGBLKJP-HNNXBMFYSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762399 246288498 /nfs/dbraw/zinc/28/84/98/246288498.db2.gz SBRXZBUQNFAZOW-OAHLLOKOSA-N 2 0 350.438 0.442 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000419794114 246298099 /nfs/dbraw/zinc/29/80/99/246298099.db2.gz DQRWMMZCRRGKOC-UHFFFAOYSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419806124 246300909 /nfs/dbraw/zinc/30/09/09/246300909.db2.gz DSUMOWZPLPLZPO-QGZVFWFLSA-N 2 0 362.474 0.626 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419804720 246300965 /nfs/dbraw/zinc/30/09/65/246300965.db2.gz OSUIFDBUOHKHSE-GJZGRUSLSA-N 2 0 354.495 0.380 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419806122 246302083 /nfs/dbraw/zinc/30/20/83/246302083.db2.gz DSUMOWZPLPLZPO-KRWDZBQOSA-N 2 0 362.474 0.626 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419811182 246304113 /nfs/dbraw/zinc/30/41/13/246304113.db2.gz FVMJURIKXUHDLY-BPQIPLTHSA-N 2 0 358.486 0.788 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000419816988 246305136 /nfs/dbraw/zinc/30/51/36/246305136.db2.gz LSTKHCOHNLAUGK-ZWKOTPCHSA-N 2 0 374.485 0.802 20 0 FCADRP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)nc(C(C)C)n1 ZINC000419871462 246338865 /nfs/dbraw/zinc/33/88/65/246338865.db2.gz SZLFLHNEDQOBIS-OAHLLOKOSA-N 2 0 374.489 0.411 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419836971 246311901 /nfs/dbraw/zinc/31/19/01/246311901.db2.gz CKTMPYNQTWQHIJ-FGTMMUONSA-N 2 0 356.470 0.445 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419834536 246312380 /nfs/dbraw/zinc/31/23/80/246312380.db2.gz SPRJOPFVERVSCV-IYBDPMFKSA-N 2 0 368.522 0.579 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419847642 246320494 /nfs/dbraw/zinc/32/04/94/246320494.db2.gz UBANJZLOHUDEKF-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419865905 246336640 /nfs/dbraw/zinc/33/66/40/246336640.db2.gz BOJKFZRQICKRHR-KFWWJZLASA-N 2 0 352.479 0.084 20 0 FCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419910401 246363976 /nfs/dbraw/zinc/36/39/76/246363976.db2.gz HUSMXCQPWDRYGR-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419916375 246368560 /nfs/dbraw/zinc/36/85/60/246368560.db2.gz QPEFBHKFNUBXEK-CQSZACIVSA-N 2 0 352.504 0.754 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000419881555 246348554 /nfs/dbraw/zinc/34/85/54/246348554.db2.gz UOCUSNMYPNWZRB-GPANFISMSA-N 2 0 350.438 0.931 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419890567 246354408 /nfs/dbraw/zinc/35/44/08/246354408.db2.gz TVPQXKDGEKIDNS-BFYDXBDKSA-N 2 0 366.506 0.202 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)CC1 ZINC000419895114 246355547 /nfs/dbraw/zinc/35/55/47/246355547.db2.gz OPONFHKDDLYHMV-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419905080 246362373 /nfs/dbraw/zinc/36/23/73/246362373.db2.gz UPJFWOUYHPOVPW-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419979675 246398498 /nfs/dbraw/zinc/39/84/98/246398498.db2.gz PUSDPSNLGRKQRX-BZUAXINKSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000419989183 246404157 /nfs/dbraw/zinc/40/41/57/246404157.db2.gz AMGKGGUAEOQUBP-SJORKVTESA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C[NH+]1CCCCC1 ZINC000420031900 246425868 /nfs/dbraw/zinc/42/58/68/246425868.db2.gz HMEXOXLTOMLNDU-QLFBSQMISA-N 2 0 354.495 0.454 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420067754 246450366 /nfs/dbraw/zinc/45/03/66/246450366.db2.gz SETDEQNIGSOVMX-BBWFWOEESA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134467 246488376 /nfs/dbraw/zinc/48/83/76/246488376.db2.gz USVPXHQPDWSFOS-ZBFHGGJFSA-N 2 0 364.465 0.973 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000420217964 246532808 /nfs/dbraw/zinc/53/28/08/246532808.db2.gz XWSKUQJBQYFXDM-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP COc1ncncc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000272983448 211645184 /nfs/dbraw/zinc/64/51/84/211645184.db2.gz UZCWIAQIAQFTKC-UHFFFAOYSA-N 2 0 366.466 0.156 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000423362392 247012259 /nfs/dbraw/zinc/01/22/59/247012259.db2.gz HPYCVITZZLAONI-KBPBESRZSA-N 2 0 352.504 0.834 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423308557 247001192 /nfs/dbraw/zinc/00/11/92/247001192.db2.gz OUGUVIQRBIPOPT-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423313736 247002687 /nfs/dbraw/zinc/00/26/87/247002687.db2.gz XJIGGJQKDKAJIL-DLBZAZTESA-N 2 0 350.507 0.779 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423583120 247062418 /nfs/dbraw/zinc/06/24/18/247062418.db2.gz YUQRTBBUEJBRFV-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000423437576 247026786 /nfs/dbraw/zinc/02/67/86/247026786.db2.gz GHEWDOFTTCZHID-INIZCTEOSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000423438569 247026921 /nfs/dbraw/zinc/02/69/21/247026921.db2.gz GZCPULTYTSFOHK-YESZJQIVSA-N 2 0 368.522 0.532 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423437753 247027712 /nfs/dbraw/zinc/02/77/12/247027712.db2.gz GPPWCSXOYZXXMN-RYQLBKOJSA-N 2 0 358.486 0.740 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000423449815 247029417 /nfs/dbraw/zinc/02/94/17/247029417.db2.gz SFEDHYMFXMZUOR-HRCADAONSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H]1C[NH3+] ZINC000423489421 247034598 /nfs/dbraw/zinc/03/45/98/247034598.db2.gz WNENHOAHWLRQTO-HOTGVXAUSA-N 2 0 368.522 0.389 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423486958 247035354 /nfs/dbraw/zinc/03/53/54/247035354.db2.gz WXFYWGPCSACCTH-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N(C)C3CC[NH2+]CC3)CC2)CC1 ZINC000423673292 247105513 /nfs/dbraw/zinc/10/55/13/247105513.db2.gz BMUOWLZRHRZMGJ-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423608727 247074770 /nfs/dbraw/zinc/07/47/70/247074770.db2.gz OKBMTLHJCCIPMB-QRQLOZEOSA-N 2 0 370.497 0.787 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC[NH2+]1 ZINC000423616386 247076583 /nfs/dbraw/zinc/07/65/83/247076583.db2.gz FOPZUYZUQVLJCG-KBPBESRZSA-N 2 0 353.488 0.892 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640275 247087210 /nfs/dbraw/zinc/08/72/10/247087210.db2.gz WDEBKBAOKYPEGF-XLIONFOSSA-N 2 0 356.470 0.671 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000423649689 247093039 /nfs/dbraw/zinc/09/30/39/247093039.db2.gz KAFRKFXTMVFVBL-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423650689 247093280 /nfs/dbraw/zinc/09/32/80/247093280.db2.gz LSFIGPBULVUKFZ-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423659562 247100073 /nfs/dbraw/zinc/10/00/73/247100073.db2.gz ZPJUZNINRDJUID-JKSUJKDBSA-N 2 0 366.506 0.299 20 0 FCADRP C[NH+](C)C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775935 247142178 /nfs/dbraw/zinc/14/21/78/247142178.db2.gz PVGBYDQWYMNESS-CABCVRRESA-N 2 0 352.866 0.927 20 0 FCADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CSCC[NH2+]2)cn1 ZINC000423915585 247151293 /nfs/dbraw/zinc/15/12/93/247151293.db2.gz MEQZNPYYXLJHRM-ZNMIVQPWSA-N 2 0 355.483 0.544 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423705105 247117765 /nfs/dbraw/zinc/11/77/65/247117765.db2.gz GNOZYYRAMIRYBC-HXUWFJFHSA-N 2 0 358.486 0.789 20 0 FCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423712425 247120042 /nfs/dbraw/zinc/12/00/42/247120042.db2.gz OLIKTJHFQWDSEO-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423713452 247120319 /nfs/dbraw/zinc/12/03/19/247120319.db2.gz VTLJLMDMEBZWTR-MRXNPFEDSA-N 2 0 366.462 0.136 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000423723793 247126291 /nfs/dbraw/zinc/12/62/91/247126291.db2.gz HHVMPJJXSQBIFZ-XHSDSOJGSA-N 2 0 359.536 0.732 20 0 FCADRP CC[NH+](CC)CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000423727805 247128450 /nfs/dbraw/zinc/12/84/50/247128450.db2.gz KXXIQVOSFDYHSE-JKSUJKDBSA-N 2 0 359.536 0.876 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423726468 247129147 /nfs/dbraw/zinc/12/91/47/247129147.db2.gz UGQNANHFXMRNJP-RBSFLKMASA-N 2 0 354.495 0.140 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423730621 247131029 /nfs/dbraw/zinc/13/10/29/247131029.db2.gz NKEZYHOMOBDMRN-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC[NH2+]CC2 ZINC000424285090 247195904 /nfs/dbraw/zinc/19/59/04/247195904.db2.gz FBXVFFUUDFIOSK-ZDUSSCGKSA-N 2 0 366.487 0.737 20 0 FCADRP [NH3+]C1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000424036945 247162293 /nfs/dbraw/zinc/16/22/93/247162293.db2.gz IFVJZOQEDLNJNR-SFHVURJKSA-N 3 0 360.502 0.865 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424151661 247173320 /nfs/dbraw/zinc/17/33/20/247173320.db2.gz HKTAHJQKWDGFAP-MRXNPFEDSA-N 2 0 363.510 0.206 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424497235 247241885 /nfs/dbraw/zinc/24/18/85/247241885.db2.gz WNTKOLUZOONSEU-WAOWUJCRSA-N 2 0 370.497 0.917 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424519482 247248995 /nfs/dbraw/zinc/24/89/95/247248995.db2.gz JODNIDWRMQZCKK-FUHWJXTLSA-N 2 0 356.470 0.588 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424451553 247220889 /nfs/dbraw/zinc/22/08/89/247220889.db2.gz DUTNMGAAKFSEDM-DLBZAZTESA-N 2 0 364.494 0.357 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000424451725 247222506 /nfs/dbraw/zinc/22/25/06/247222506.db2.gz FJLOZKPLNMRSMX-NXNVCVFFSA-N 2 0 364.494 0.356 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540024 247255743 /nfs/dbraw/zinc/25/57/43/247255743.db2.gz FYAQBBLEAVSZFX-QXCFHYIPSA-N 2 0 370.497 0.976 20 0 FCADRP O=C(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431298775 247762838 /nfs/dbraw/zinc/76/28/38/247762838.db2.gz VAOOLPHEISDUFL-MRXNPFEDSA-N 2 0 365.522 0.762 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC000436985047 248057281 /nfs/dbraw/zinc/05/72/81/248057281.db2.gz BTXYXORTDPBHEK-UHFFFAOYSA-N 2 0 374.485 0.880 20 0 FCADRP CCn1nccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000439217339 248115095 /nfs/dbraw/zinc/11/50/95/248115095.db2.gz RJTHFWVMSKQTML-OAHLLOKOSA-N 2 0 364.494 0.716 20 0 FCADRP C[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000440980598 248229223 /nfs/dbraw/zinc/22/92/23/248229223.db2.gz NHUSXZSSXJUNBM-KRWDZBQOSA-N 2 0 368.570 0.195 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)NCC2CC[NH+](CCO)CC2)CC1(C)C ZINC000442168474 248277411 /nfs/dbraw/zinc/27/74/11/248277411.db2.gz VDWSLMDDMXEUII-UHFFFAOYSA-N 2 0 355.527 0.016 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442596888 248292297 /nfs/dbraw/zinc/29/22/97/248292297.db2.gz WPCIWIFBVJXRLO-UHFFFAOYSA-N 2 0 368.570 0.338 20 0 FCADRP CCOC1CC(CNC(=O)C[N@H+](C)[C@H]2CCSC2)(N2CCOCC2)C1 ZINC000443872286 248343498 /nfs/dbraw/zinc/34/34/98/248343498.db2.gz ZMNYLHOBQJVATG-HJOIGYKYSA-N 2 0 371.547 0.810 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446364775 248388319 /nfs/dbraw/zinc/38/83/19/248388319.db2.gz UTDRWSNQFKMNFQ-GGXPGOJBSA-N 2 0 351.491 0.700 20 0 FCADRP OC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000447919161 248434610 /nfs/dbraw/zinc/43/46/10/248434610.db2.gz CYVPBIVJAJMCMY-JVSBHGNQSA-N 2 0 364.486 0.946 20 0 FCADRP Cc1ccccc1CN1CCN(C(=O)CN2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270593417 211231315 /nfs/dbraw/zinc/23/13/15/211231315.db2.gz FLUUIIQLAWLXGH-QGZVFWFLSA-N 2 0 359.474 0.382 20 0 FCADRP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc12 ZINC000469988128 250017368 /nfs/dbraw/zinc/01/73/68/250017368.db2.gz AWZMTVLQNYVFRP-MRXNPFEDSA-N 2 0 356.474 0.921 20 0 FCADRP CC(C)[N@@H+]1CCc2nc(CN(C)CC(=O)N3CC[NH2+]CC3)sc2C1 ZINC000469988571 250018748 /nfs/dbraw/zinc/01/87/48/250018748.db2.gz CLOJJEAZLRHWMG-UHFFFAOYSA-N 2 0 351.520 0.773 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471651748 250113352 /nfs/dbraw/zinc/11/33/52/250113352.db2.gz AHXMHYMUKJKXOT-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000472270669 250143385 /nfs/dbraw/zinc/14/33/85/250143385.db2.gz ARUZVFHWTIDWFG-KRWDZBQOSA-N 2 0 369.506 0.831 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCCN2CCOCC2)C1 ZINC000472918063 250188346 /nfs/dbraw/zinc/18/83/46/250188346.db2.gz LROOEJILCJVOQF-QGZVFWFLSA-N 2 0 356.511 0.851 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932481 250256827 /nfs/dbraw/zinc/25/68/27/250256827.db2.gz MHLWINCUBQMRAL-HUUCEWRRSA-N 2 0 351.499 0.934 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000481200140 250321539 /nfs/dbraw/zinc/32/15/39/250321539.db2.gz OZCKBLXLPQMUJA-BZUAXINKSA-N 2 0 361.490 0.973 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000481804350 250362194 /nfs/dbraw/zinc/36/21/94/250362194.db2.gz DYGWZEYIVWARJT-AIANPOQGSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482009024 250374394 /nfs/dbraw/zinc/37/43/94/250374394.db2.gz UAKSVXUCJBFEDP-DZGCQCFKSA-N 2 0 362.540 0.093 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC[N@H+](C)C1 ZINC000413375537 532994647 /nfs/dbraw/zinc/99/46/47/532994647.db2.gz MXULALXZPHHQEN-JKSUJKDBSA-N 2 0 354.495 0.711 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CC[N@H+](C)C1 ZINC000413098737 532995898 /nfs/dbraw/zinc/99/58/98/532995898.db2.gz COWYQIAYEZXJJX-HRCADAONSA-N 2 0 354.495 0.996 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+](C)C1 ZINC000413322776 532996831 /nfs/dbraw/zinc/99/68/31/532996831.db2.gz IMFNGEQRZFAKBV-SJORKVTESA-N 2 0 366.506 0.997 20 0 FCADRP Cc1cc(=O)n2nc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)sc2n1 ZINC000106125786 208211266 /nfs/dbraw/zinc/21/12/66/208211266.db2.gz VITOLAUZZLLZGT-ZDUSSCGKSA-N 2 0 365.503 0.984 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000119290127 208358714 /nfs/dbraw/zinc/35/87/14/208358714.db2.gz GKFGCRBCJVQBEQ-KRWDZBQOSA-N 2 0 365.522 0.809 20 0 FCADRP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176410104 209003261 /nfs/dbraw/zinc/00/32/61/209003261.db2.gz PYKVKSXITLLEKH-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP C[C@](O)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320871 209048482 /nfs/dbraw/zinc/04/84/82/209048482.db2.gz XRZLEOJFRNMVDO-APWZRJJASA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884713 209063469 /nfs/dbraw/zinc/06/34/69/209063469.db2.gz MTLRMFQQYLWEDL-PMACEKPBSA-N 2 0 374.529 0.810 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000179032675 209069378 /nfs/dbraw/zinc/06/93/78/209069378.db2.gz KEYSQRDLTMYUNZ-SZMVWBNQSA-N 2 0 358.486 0.836 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+](C)C1 ZINC000413346626 533480312 /nfs/dbraw/zinc/48/03/12/533480312.db2.gz IIKCXUDDYKXLBU-BBRMVZONSA-N 2 0 358.508 0.170 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410433133 230077597 /nfs/dbraw/zinc/07/75/97/230077597.db2.gz KZKSSHSVCPVOTI-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410436037 230079252 /nfs/dbraw/zinc/07/92/52/230079252.db2.gz RABCMKLQINGISP-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000410774478 230242691 /nfs/dbraw/zinc/24/26/91/230242691.db2.gz YTORCZUWOZFHIW-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410781317 230246171 /nfs/dbraw/zinc/24/61/71/230246171.db2.gz BSMXERTYRGSBHB-IAGOWNOFSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410938516 230312308 /nfs/dbraw/zinc/31/23/08/230312308.db2.gz OPIPPMVOHOHCAP-INIZCTEOSA-N 2 0 368.522 0.234 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963160 230331126 /nfs/dbraw/zinc/33/11/26/230331126.db2.gz MKACTFPDJXRYTB-NZSAHSFTSA-N 2 0 372.513 0.934 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)c1 ZINC000278290110 488865766 /nfs/dbraw/zinc/86/57/66/488865766.db2.gz ACDQOBBZDYJCPI-CYBMUJFWSA-N 2 0 356.430 0.853 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000515410805 484488932 /nfs/dbraw/zinc/48/89/32/484488932.db2.gz QTMLLDAOOSMPGA-CQSZACIVSA-N 2 0 362.478 0.546 20 0 FCADRP O=C(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000562790049 491189354 /nfs/dbraw/zinc/18/93/54/491189354.db2.gz SVQRSNQLTBVSHS-QGZVFWFLSA-N 2 0 359.474 0.555 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287659286 488891759 /nfs/dbraw/zinc/89/17/59/488891759.db2.gz HCFWOMRBGKGPSI-UHFFFAOYSA-N 2 0 350.463 0.770 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278956729 488907467 /nfs/dbraw/zinc/90/74/67/488907467.db2.gz HQHVHCDSZMUOPD-AWEZNQCLSA-N 2 0 362.478 0.113 20 0 FCADRP CC1(C)NC(=O)N(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000364079364 488920657 /nfs/dbraw/zinc/92/06/57/488920657.db2.gz WKIXKLDOZHVEHR-UHFFFAOYSA-N 2 0 352.479 0.751 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000364177176 488931164 /nfs/dbraw/zinc/93/11/64/488931164.db2.gz YPPVWIBPCGWUIV-IXDOHACOSA-N 2 0 365.522 0.317 20 0 FCADRP CN1CCC(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000562803848 491190564 /nfs/dbraw/zinc/19/05/64/491190564.db2.gz DZMONGKROLHJAZ-KRWDZBQOSA-N 2 0 367.538 0.696 20 0 FCADRP Cc1cn(C)c(CC(=O)NC[C@H](C)[NH+](C)C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000279633430 488958168 /nfs/dbraw/zinc/95/81/68/488958168.db2.gz ZLUMUOPWXXSHDV-GJZGRUSLSA-N 2 0 365.522 0.622 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)NCCCOC)CC2)CC1 ZINC000056308363 488255590 /nfs/dbraw/zinc/25/55/90/488255590.db2.gz ZYUOIEBZWHWLJK-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)CSCC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000067045135 488342776 /nfs/dbraw/zinc/34/27/76/488342776.db2.gz AOYFCJKAYODWIY-HOTGVXAUSA-N 2 0 370.563 0.825 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000562821320 491192868 /nfs/dbraw/zinc/19/28/68/491192868.db2.gz NRZLHSMIFUWYKV-UHFFFAOYSA-N 2 0 368.522 0.501 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1F ZINC000562823587 491193449 /nfs/dbraw/zinc/19/34/49/491193449.db2.gz OBEBQPZMAQWUQE-CQSZACIVSA-N 2 0 350.438 0.701 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000554321712 491194018 /nfs/dbraw/zinc/19/40/18/491194018.db2.gz KQRJYJGYIGSDII-KRWDZBQOSA-N 2 0 360.502 0.784 20 0 FCADRP O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805364 488374073 /nfs/dbraw/zinc/37/40/73/488374073.db2.gz HDFMVHYSZFBZAW-QGZVFWFLSA-N 2 0 364.534 0.774 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000073253200 488384315 /nfs/dbraw/zinc/38/43/15/488384315.db2.gz UPBQHTONXWVZPQ-HNNXBMFYSA-N 2 0 354.414 0.903 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315935 488390495 /nfs/dbraw/zinc/39/04/95/488390495.db2.gz BROQIMZNGVPOQN-SJORKVTESA-N 2 0 350.507 0.587 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345459 488390703 /nfs/dbraw/zinc/39/07/03/488390703.db2.gz YTBNPLBNDVUFOW-SJORKVTESA-N 2 0 367.538 0.947 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000074345133 488390783 /nfs/dbraw/zinc/39/07/83/488390783.db2.gz DOAHFWKEMNJJMH-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000074345468 488390808 /nfs/dbraw/zinc/39/08/08/488390808.db2.gz OTTLYWDYAWEQPO-MRXNPFEDSA-N 2 0 365.522 0.844 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345475 488390823 /nfs/dbraw/zinc/39/08/23/488390823.db2.gz BOSFBGXLJZWGTA-CVEARBPZSA-N 2 0 353.511 0.605 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000074345141 488391018 /nfs/dbraw/zinc/39/10/18/488391018.db2.gz YOFYLORJKLLGOU-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CSc2nnnn2CC[NH+](C)C)CC1 ZINC000074392813 488391638 /nfs/dbraw/zinc/39/16/38/488391638.db2.gz MKVFQRRUYBQCCM-UHFFFAOYSA-N 2 0 355.512 0.316 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490716 488392297 /nfs/dbraw/zinc/39/22/97/488392297.db2.gz GLUZUHBOPQPRFW-CYBMUJFWSA-N 2 0 354.524 0.997 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000074616588 488392898 /nfs/dbraw/zinc/39/28/98/488392898.db2.gz MEWDDFLUYSZZMV-KRWDZBQOSA-N 2 0 355.527 0.376 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000184417300 488396610 /nfs/dbraw/zinc/39/66/10/488396610.db2.gz IXFUATRVNIDXQK-OAHLLOKOSA-N 2 0 351.499 0.592 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000185864576 488402880 /nfs/dbraw/zinc/40/28/80/488402880.db2.gz XILGWMLIEMMICA-MRXNPFEDSA-N 2 0 364.538 0.681 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000076333970 488403929 /nfs/dbraw/zinc/40/39/29/488403929.db2.gz WNMLLLWIMXTKPI-HNNXBMFYSA-N 2 0 360.458 0.918 20 0 FCADRP CC(=O)Nc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000076830248 488407406 /nfs/dbraw/zinc/40/74/06/488407406.db2.gz KZTDKTCZGMXETG-UHFFFAOYSA-N 2 0 374.482 0.898 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000076971785 488407957 /nfs/dbraw/zinc/40/79/57/488407957.db2.gz LDWCZHKLHFNVRK-HZPDHXFCSA-N 2 0 351.495 0.357 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000077173407 488408909 /nfs/dbraw/zinc/40/89/09/488408909.db2.gz NSDONTARQNCOTJ-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236841451 488453867 /nfs/dbraw/zinc/45/38/67/488453867.db2.gz FINAXQVSMIMQSM-IBGZPJMESA-N 2 0 358.486 0.886 20 0 FCADRP CC[NH+]1CCN(CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961964 488459453 /nfs/dbraw/zinc/45/94/53/488459453.db2.gz JTFIICOJERMFCJ-RTBURBONSA-N 2 0 360.502 0.376 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000248372926 488495628 /nfs/dbraw/zinc/49/56/28/488495628.db2.gz DTOKTRNNFLXFLE-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000103212224 488499984 /nfs/dbraw/zinc/49/99/84/488499984.db2.gz DLJZGIXNNUSMHU-UHFFFAOYSA-N 2 0 374.485 0.901 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103313477 488500687 /nfs/dbraw/zinc/50/06/87/488500687.db2.gz SZFPVCJWCZZURX-KRWDZBQOSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000248969391 488504448 /nfs/dbraw/zinc/50/44/48/488504448.db2.gz OVCNHBQWOKXRRH-AOIWGVFYSA-N 2 0 362.518 0.792 20 0 FCADRP CC1CC[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104800838 488505737 /nfs/dbraw/zinc/50/57/37/488505737.db2.gz NTXZTXAXHRZWQO-QGZVFWFLSA-N 2 0 367.538 0.995 20 0 FCADRP CC[NH+]1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000249301335 488508325 /nfs/dbraw/zinc/50/83/25/488508325.db2.gz HELKDKOZLOFVGP-HZPDHXFCSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249363953 488509108 /nfs/dbraw/zinc/50/91/08/488509108.db2.gz VMBXQCAWYJWTCV-CKZPPYNSSA-N 2 0 368.566 0.316 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000252465313 488517861 /nfs/dbraw/zinc/51/78/61/488517861.db2.gz PXERICONMHBQNW-XHSDSOJGSA-N 2 0 354.495 0.012 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000108590433 488520341 /nfs/dbraw/zinc/52/03/41/488520341.db2.gz BQNWJAHUZJCRRQ-INIZCTEOSA-N 2 0 351.495 0.278 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109170475 488522343 /nfs/dbraw/zinc/52/23/43/488522343.db2.gz CMZTYZSTASXNNH-QGZVFWFLSA-N 2 0 356.511 0.489 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261646725 488528928 /nfs/dbraw/zinc/52/89/28/488528928.db2.gz ADDCTYMPVRBUTI-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705313 488531829 /nfs/dbraw/zinc/53/18/29/488531829.db2.gz PDMOJMBVGNFVLD-NEPJUHHUSA-N 2 0 350.385 0.245 20 0 FCADRP C[NH2+][C@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261785175 488536094 /nfs/dbraw/zinc/53/60/94/488536094.db2.gz PSKQFRMWRNGHBT-KRWDZBQOSA-N 2 0 352.523 0.822 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC000114018666 488539321 /nfs/dbraw/zinc/53/93/21/488539321.db2.gz CSIJUXHGHGKZOH-HOTGVXAUSA-N 2 0 356.511 0.896 20 0 FCADRP COCCCOCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000271718515 488541606 /nfs/dbraw/zinc/54/16/06/488541606.db2.gz JCHWDZSWDUFUQF-UHFFFAOYSA-N 2 0 350.463 0.763 20 0 FCADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000261994473 488545057 /nfs/dbraw/zinc/54/50/57/488545057.db2.gz NFJCLOKKBCWXEI-UHFFFAOYSA-N 2 0 368.503 0.984 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000262022650 488546342 /nfs/dbraw/zinc/54/63/42/488546342.db2.gz ANQGOXGWMLRFDJ-UHFFFAOYSA-N 2 0 359.536 0.734 20 0 FCADRP CS(=O)(=O)NCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120227385 488560645 /nfs/dbraw/zinc/56/06/45/488560645.db2.gz ASHYYNZRDSBHOH-UHFFFAOYSA-N 2 0 374.551 0.240 20 0 FCADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000262343536 488565201 /nfs/dbraw/zinc/56/52/01/488565201.db2.gz SZAOKNGBNXYPHO-SJORKVTESA-N 2 0 361.490 0.416 20 0 FCADRP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000262343533 488565213 /nfs/dbraw/zinc/56/52/13/488565213.db2.gz SZAOKNGBNXYPHO-DLBZAZTESA-N 2 0 361.490 0.416 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122109146 488575641 /nfs/dbraw/zinc/57/56/41/488575641.db2.gz ADDCTYMPVRBUTI-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)C1 ZINC000262650705 488584671 /nfs/dbraw/zinc/58/46/71/488584671.db2.gz QVEXAQALJQBWKF-ROUUACIJSA-N 2 0 358.486 1.000 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262947811 488600732 /nfs/dbraw/zinc/60/07/32/488600732.db2.gz BBUXRVFDPQTRCN-INIZCTEOSA-N 2 0 370.563 0.954 20 0 FCADRP C[C@@H](C[S@](C)=O)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126339685 488608628 /nfs/dbraw/zinc/60/86/28/488608628.db2.gz BRVWVXNRJJEHAY-IZHWHUGBSA-N 2 0 352.504 0.819 20 0 FCADRP CC[NH+]1CCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000127705093 488619366 /nfs/dbraw/zinc/61/93/66/488619366.db2.gz BIVIZWWXDFEDSX-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP CCN1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000273261399 488641026 /nfs/dbraw/zinc/64/10/26/488641026.db2.gz IOELMOQGYLPHIG-UHFFFAOYSA-N 2 0 374.489 0.467 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCC(F)(F)CC1 ZINC000554550352 491209756 /nfs/dbraw/zinc/20/97/56/491209756.db2.gz ZPYNNMNBZIURQR-UHFFFAOYSA-N 2 0 362.465 0.880 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133533970 488660493 /nfs/dbraw/zinc/66/04/93/488660493.db2.gz JFVIPOKLNRFSBT-HNNXBMFYSA-N 2 0 364.494 0.764 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000138441247 488682411 /nfs/dbraw/zinc/68/24/11/488682411.db2.gz YIEIYUVPHNQHPX-INIZCTEOSA-N 2 0 351.495 0.419 20 0 FCADRP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000563112379 491217083 /nfs/dbraw/zinc/21/70/83/491217083.db2.gz GJDPGAIDFMYMFM-JNNRSPCRSA-N 2 0 361.490 0.123 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000151850624 488710715 /nfs/dbraw/zinc/71/07/15/488710715.db2.gz SRLHTYPVGILPRD-UHFFFAOYSA-N 2 0 364.494 0.574 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151938436 488711959 /nfs/dbraw/zinc/71/19/59/488711959.db2.gz XDWXHFFPFIQMIO-LSDHHAIUSA-N 2 0 364.494 0.620 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCC(C)CC1 ZINC000152073947 488713193 /nfs/dbraw/zinc/71/31/93/488713193.db2.gz LTIYXAWOWPBVRD-OAHLLOKOSA-N 2 0 364.494 0.620 20 0 FCADRP COC(=O)[C@@H](NC(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)C ZINC000570087604 491215306 /nfs/dbraw/zinc/21/53/06/491215306.db2.gz RXVVSAVSUSAKAG-RYRKJORJSA-N 2 0 368.522 0.258 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266863128 488738203 /nfs/dbraw/zinc/73/82/03/488738203.db2.gz VIRWBUDFBABCJJ-UHFFFAOYSA-N 2 0 363.506 0.678 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCC2CC[NH2+]CC2)cn1 ZINC000156038865 488762172 /nfs/dbraw/zinc/76/21/72/488762172.db2.gz PRBGMVLTAFMTJE-UHFFFAOYSA-N 2 0 350.467 0.279 20 0 FCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000157661068 488773208 /nfs/dbraw/zinc/77/32/08/488773208.db2.gz WMZCZJWBCQLTDA-OAHLLOKOSA-N 2 0 355.508 0.863 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000276158289 488782995 /nfs/dbraw/zinc/78/29/95/488782995.db2.gz HHZFRBQWZLQXEH-GOSISDBHSA-N 2 0 360.502 0.817 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)CSCC[NH+](C)C)CC1 ZINC000171606801 488824331 /nfs/dbraw/zinc/82/43/31/488824331.db2.gz WYNIZMZGMFYPNM-UHFFFAOYSA-N 2 0 363.491 0.307 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)CC1 ZINC000570188339 491223381 /nfs/dbraw/zinc/22/33/81/491223381.db2.gz BXPQQZAGZCOAGT-SFHVURJKSA-N 2 0 366.554 0.090 20 0 FCADRP O=C(NCCN1CCN(c2ncccn2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171903021 488828387 /nfs/dbraw/zinc/82/83/87/488828387.db2.gz TXSUOUGWBCYTCV-INIZCTEOSA-N 2 0 359.478 0.088 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000173682008 488844689 /nfs/dbraw/zinc/84/46/89/488844689.db2.gz BHJVLWLNBCEWLJ-NVXWUHKLSA-N 2 0 363.506 0.940 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176013621 488857022 /nfs/dbraw/zinc/85/70/22/488857022.db2.gz HTMXGOLJJSDLLT-AEFFLSMTSA-N 2 0 354.539 0.779 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000176098046 488857254 /nfs/dbraw/zinc/85/72/54/488857254.db2.gz SDEZIBWRPOJQMW-KRWDZBQOSA-N 2 0 368.522 0.851 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000176684215 488858650 /nfs/dbraw/zinc/85/86/50/488858650.db2.gz SCWSMRQZCWKYMA-MRXNPFEDSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178157591 488860089 /nfs/dbraw/zinc/86/00/89/488860089.db2.gz BWRVENNDRTYVRF-KRWDZBQOSA-N 2 0 350.507 0.872 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075147 488863016 /nfs/dbraw/zinc/86/30/16/488863016.db2.gz WTNFTDZXOKFWGV-HOTGVXAUSA-N 2 0 354.495 0.997 20 0 FCADRP O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000364670980 488983859 /nfs/dbraw/zinc/98/38/59/488983859.db2.gz GNVBOWJEOIFGND-PMACEKPBSA-N 2 0 372.513 0.649 20 0 FCADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000288533839 488989431 /nfs/dbraw/zinc/98/94/31/488989431.db2.gz DSWQYINOFLYGEM-CQSZACIVSA-N 2 0 367.446 0.532 20 0 FCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000364734420 488994376 /nfs/dbraw/zinc/99/43/76/488994376.db2.gz KFSIJRWMRMHGDO-YYAJDYIMSA-N 2 0 351.491 0.700 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)C[C@H](C)O1 ZINC000364738488 488995207 /nfs/dbraw/zinc/99/52/07/488995207.db2.gz IQVATWJZHGNHHU-GASCZTMLSA-N 2 0 364.490 0.405 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809464 491227162 /nfs/dbraw/zinc/22/71/62/491227162.db2.gz RJNPZWWIKFRIJC-PBHICJAKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1=O ZINC000563207582 491227199 /nfs/dbraw/zinc/22/71/99/491227199.db2.gz PUCZETTZNCOELU-CYBMUJFWSA-N 2 0 365.503 0.959 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000288957653 489032076 /nfs/dbraw/zinc/03/20/76/489032076.db2.gz VZPQEPFHVWIGHN-HNNXBMFYSA-N 2 0 361.490 0.743 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828702 489034115 /nfs/dbraw/zinc/03/41/15/489034115.db2.gz VSUJYWCIOKEBOC-WRWLIDTKSA-N 2 0 358.486 0.963 20 0 FCADRP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329975031 489056509 /nfs/dbraw/zinc/05/65/09/489056509.db2.gz ZKUNSNCLDOOBFU-ILXRZTDVSA-N 2 0 358.483 0.699 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000289323526 489058451 /nfs/dbraw/zinc/05/84/51/489058451.db2.gz LBPLFKQDHOLXRJ-SFHVURJKSA-N 2 0 360.502 0.960 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322477 489063839 /nfs/dbraw/zinc/06/38/39/489063839.db2.gz AWMIRSFELNIQOA-ZWKOTPCHSA-N 2 0 367.538 0.424 20 0 FCADRP CN(CCC[N@H+](C)CC(=O)NC(=O)NCc1ccco1)CC[NH+](C)C ZINC000289476767 489069951 /nfs/dbraw/zinc/06/99/51/489069951.db2.gz RKNXSKDLQUBGOI-UHFFFAOYSA-N 2 0 353.467 0.421 20 0 FCADRP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)C1COC1 ZINC000330205854 489080120 /nfs/dbraw/zinc/08/01/20/489080120.db2.gz DTAXWHLZIYWIQN-IAGOWNOFSA-N 2 0 359.536 0.984 20 0 FCADRP CO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000281509480 489081797 /nfs/dbraw/zinc/08/17/97/489081797.db2.gz HFJZABAQGBIKHC-GOSISDBHSA-N 2 0 372.473 0.831 20 0 FCADRP CO[C@H](C[NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000290279957 489127204 /nfs/dbraw/zinc/12/72/04/489127204.db2.gz ZKWUWDYFYZXRKW-QGZVFWFLSA-N 2 0 350.463 0.249 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172645 489154514 /nfs/dbraw/zinc/15/45/14/489154514.db2.gz SIUXFHBEJZIWPY-MJGOQNOKSA-N 2 0 351.539 0.997 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000366242771 489162212 /nfs/dbraw/zinc/16/22/12/489162212.db2.gz CADJHMLISAAPJB-IAGOWNOFSA-N 2 0 356.511 0.897 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366253519 489163309 /nfs/dbraw/zinc/16/33/09/489163309.db2.gz FEBUGRVGULSGRV-SFHVURJKSA-N 2 0 351.495 0.276 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000366327110 489171259 /nfs/dbraw/zinc/17/12/59/489171259.db2.gz SDCWUYIQIZAUDC-GOSISDBHSA-N 2 0 362.474 0.264 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570393985 491238097 /nfs/dbraw/zinc/23/80/97/491238097.db2.gz YUEGVXKFOMLPRM-KRWDZBQOSA-N 2 0 369.473 0.820 20 0 FCADRP NC(=O)c1c[nH+]ccc1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000563342425 491238152 /nfs/dbraw/zinc/23/81/52/491238152.db2.gz HIZJFQGXLVUBRX-UHFFFAOYSA-N 2 0 367.453 0.912 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000331370870 489202809 /nfs/dbraw/zinc/20/28/09/489202809.db2.gz GIBDOJQVZPUIEJ-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331390843 489205341 /nfs/dbraw/zinc/20/53/41/489205341.db2.gz JJVNCKQRQXQUNR-DLBZAZTESA-N 2 0 350.507 0.776 20 0 FCADRP COCCOC[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000297536401 489206952 /nfs/dbraw/zinc/20/69/52/489206952.db2.gz PMWLBLQUAJOKGP-FQEVSTJZSA-N 2 0 365.518 0.760 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000331433000 489210654 /nfs/dbraw/zinc/21/06/54/489210654.db2.gz MMTXFKIWTLWPNJ-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000367850046 489212335 /nfs/dbraw/zinc/21/23/35/489212335.db2.gz RFFYQQDKRONNBK-INIZCTEOSA-N 2 0 350.507 0.920 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283146965 489219852 /nfs/dbraw/zinc/21/98/52/489219852.db2.gz CBTZXKKNLAAXNT-QGZVFWFLSA-N 2 0 364.490 0.490 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000297697080 489225063 /nfs/dbraw/zinc/22/50/63/489225063.db2.gz HLMVGHWXLNCLMR-OAHLLOKOSA-N 2 0 350.463 0.722 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccoc1 ZINC000283328977 489245733 /nfs/dbraw/zinc/24/57/33/489245733.db2.gz HDSPZOFLOMILBV-UHFFFAOYSA-N 2 0 371.441 0.619 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CCO[C@H](c2cncn2C)C1)CN1CCOCC1 ZINC000332997991 489255513 /nfs/dbraw/zinc/25/55/13/489255513.db2.gz FNCPVGPBNQTGLA-VYDXJSESSA-N 2 0 365.478 0.908 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738425 489269588 /nfs/dbraw/zinc/26/95/88/489269588.db2.gz XVWYCBDPMJJMLO-JQHSSLGASA-N 2 0 366.506 0.744 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369789700 489275962 /nfs/dbraw/zinc/27/59/62/489275962.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000369831005 489279878 /nfs/dbraw/zinc/27/98/78/489279878.db2.gz ISCUFUOGMBPRBH-GOSISDBHSA-N 2 0 367.538 0.565 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000570507659 491245415 /nfs/dbraw/zinc/24/54/15/491245415.db2.gz ZAIJNXGJMPTMJG-GOEBONIOSA-N 2 0 350.438 0.489 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452343 491248854 /nfs/dbraw/zinc/24/88/54/491248854.db2.gz WGHZEIVDZSXFTN-BRWVUGGUSA-N 2 0 363.506 0.737 20 0 FCADRP C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370282608 489339069 /nfs/dbraw/zinc/33/90/69/489339069.db2.gz XMXLCJQISQWQMW-BFYDXBDKSA-N 2 0 354.495 0.648 20 0 FCADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297995 489340449 /nfs/dbraw/zinc/34/04/49/489340449.db2.gz HJMAWARMQONOLR-SJORKVTESA-N 2 0 369.554 0.668 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+](C)C1CC1 ZINC000286337518 489381248 /nfs/dbraw/zinc/38/12/48/489381248.db2.gz BPWOMFOHHQNJML-AWEZNQCLSA-N 2 0 364.465 0.973 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000362672843 489391800 /nfs/dbraw/zinc/39/18/00/489391800.db2.gz KVRUPUORSAQJDL-MSOLQXFVSA-N 2 0 367.538 0.253 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000370735793 489395056 /nfs/dbraw/zinc/39/50/56/489395056.db2.gz ZQSDLFIIGYBBPL-HYVNUMGLSA-N 2 0 363.506 0.417 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000362878789 489403112 /nfs/dbraw/zinc/40/31/12/489403112.db2.gz UAXMZYNKFXLJGT-UHFFFAOYSA-N 2 0 366.506 0.254 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563600908 491257375 /nfs/dbraw/zinc/25/73/75/491257375.db2.gz RJLLTCIMJMHOMQ-HOTGVXAUSA-N 2 0 365.522 0.618 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000363180390 489434399 /nfs/dbraw/zinc/43/43/99/489434399.db2.gz CPMKHRVEPKVRGI-DLBZAZTESA-N 2 0 354.495 0.338 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000363180391 489434518 /nfs/dbraw/zinc/43/45/18/489434518.db2.gz CPMKHRVEPKVRGI-IAGOWNOFSA-N 2 0 354.495 0.338 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371025712 489439521 /nfs/dbraw/zinc/43/95/21/489439521.db2.gz BDPOXIFZMKRSBF-ROUUACIJSA-N 2 0 365.522 0.273 20 0 FCADRP CCn1cnnc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299474912 489445637 /nfs/dbraw/zinc/44/56/37/489445637.db2.gz FHTYQZKQBXIZGV-UHFFFAOYSA-N 2 0 372.477 0.705 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697828 491258526 /nfs/dbraw/zinc/25/85/26/491258526.db2.gz BMOIJPFPMLDFSM-MSOLQXFVSA-N 2 0 371.485 0.736 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000563616989 491258766 /nfs/dbraw/zinc/25/87/66/491258766.db2.gz RMRATHBHRSFWFZ-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000563617442 491258898 /nfs/dbraw/zinc/25/88/98/491258898.db2.gz DRRPTNAXOUCQED-MKXGPGLRSA-N 2 0 356.555 0.320 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000563558357 491254905 /nfs/dbraw/zinc/25/49/05/491254905.db2.gz MVHDZWVLRQWVOP-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP O=C(CN1CSCC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299596751 489460840 /nfs/dbraw/zinc/46/08/40/489460840.db2.gz UXGSDWRBLBWGRH-UHFFFAOYSA-N 2 0 363.487 0.243 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000371240121 489469786 /nfs/dbraw/zinc/46/97/86/489469786.db2.gz BJENCJZYIUETRD-HXUWFJFHSA-N 2 0 371.529 0.440 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000371527942 489486971 /nfs/dbraw/zinc/48/69/71/489486971.db2.gz YQENHUCITYOZGQ-KZNAEPCWSA-N 2 0 358.486 0.611 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000423094078 489492473 /nfs/dbraw/zinc/49/24/73/489492473.db2.gz JGKFAQNKDFRBIN-RHSMWYFYSA-N 2 0 364.465 0.912 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423092227 489492564 /nfs/dbraw/zinc/49/25/64/489492564.db2.gz AZNFAXBOGZSTSX-OAHLLOKOSA-N 2 0 364.465 0.784 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000423101932 489493709 /nfs/dbraw/zinc/49/37/09/489493709.db2.gz WOFNPZVRSAVLOM-OAHLLOKOSA-N 2 0 350.438 0.536 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371654537 489494023 /nfs/dbraw/zinc/49/40/23/489494023.db2.gz SNCQYSGKYGJLMP-SFHVURJKSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000423145949 489496589 /nfs/dbraw/zinc/49/65/89/489496589.db2.gz NEZTYZHAPQEJPK-ZWKOTPCHSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145573 489496839 /nfs/dbraw/zinc/49/68/39/489496839.db2.gz LJEJGBZZWXKXCV-SJLPKXTDSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000423157377 489497310 /nfs/dbraw/zinc/49/73/10/489497310.db2.gz ARTNVKMVRWLWIU-MRXNPFEDSA-N 2 0 350.438 0.536 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000423156300 489497374 /nfs/dbraw/zinc/49/73/74/489497374.db2.gz RYHTWPNERKHOFK-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000423158156 489498162 /nfs/dbraw/zinc/49/81/62/489498162.db2.gz CDFTWWHDEOLHIE-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC000423163260 489498276 /nfs/dbraw/zinc/49/82/76/489498276.db2.gz MIJHOTOHQQOVTP-GASCZTMLSA-N 2 0 364.465 0.925 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000423169707 489499091 /nfs/dbraw/zinc/49/90/91/489499091.db2.gz KFMBVXDKYZGURD-CZUORRHYSA-N 2 0 350.463 0.674 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423203449 489502059 /nfs/dbraw/zinc/50/20/59/489502059.db2.gz MSOXCFOUHUTTSV-GJZGRUSLSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423199969 489502080 /nfs/dbraw/zinc/50/20/80/489502080.db2.gz DAFHRJOLMHZECS-OAHLLOKOSA-N 2 0 350.438 0.523 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000423204648 489502952 /nfs/dbraw/zinc/50/29/52/489502952.db2.gz OGMZPXODBHAPPL-CYBMUJFWSA-N 2 0 368.428 0.675 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423210112 489503009 /nfs/dbraw/zinc/50/30/09/489503009.db2.gz JSDNJXVUCSYELP-HOTGVXAUSA-N 2 0 356.511 0.387 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423218413 489503937 /nfs/dbraw/zinc/50/39/37/489503937.db2.gz VLGQAFKFCUUVEJ-IRXDYDNUSA-N 2 0 367.538 0.071 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000423220925 489504763 /nfs/dbraw/zinc/50/47/63/489504763.db2.gz YWZFGZLIWHUQJZ-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000423237430 489506398 /nfs/dbraw/zinc/50/63/98/489506398.db2.gz TWHKAAPHUFRDHQ-SFHVURJKSA-N 2 0 372.513 0.974 20 0 FCADRP C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000414590888 489506536 /nfs/dbraw/zinc/50/65/36/489506536.db2.gz ARERHJCMDYLVBU-HOTGVXAUSA-N 2 0 368.522 0.090 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)c1 ZINC000423260800 489508301 /nfs/dbraw/zinc/50/83/01/489508301.db2.gz QSZVNWUETYHUGK-UHFFFAOYSA-N 2 0 363.462 0.182 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)CC1 ZINC000423298774 489512520 /nfs/dbraw/zinc/51/25/20/489512520.db2.gz AIVGRURVLXGGCE-LADRWXRNSA-N 2 0 350.507 0.907 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000451626413 489512602 /nfs/dbraw/zinc/51/26/02/489512602.db2.gz KNOCNTBXZSCEAU-MSOLQXFVSA-N 2 0 364.534 0.774 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415395862 489517598 /nfs/dbraw/zinc/51/75/98/489517598.db2.gz OSMYTKNJHOYUDO-INIZCTEOSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000415413667 489517957 /nfs/dbraw/zinc/51/79/57/489517957.db2.gz IZXDREMEKNSACP-CQSZACIVSA-N 2 0 350.463 0.846 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415419734 489519299 /nfs/dbraw/zinc/51/92/99/489519299.db2.gz VIYFTPSCZUJSNU-GFCCVEGCSA-N 2 0 354.426 0.676 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1CCCCC1 ZINC000415425283 489519525 /nfs/dbraw/zinc/51/95/25/489519525.db2.gz KLVVLGNJUDJKNK-OAHLLOKOSA-N 2 0 356.430 1.230 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000570720497 491260386 /nfs/dbraw/zinc/26/03/86/491260386.db2.gz GBFROUOBHCEUNC-HUUCEWRRSA-N 2 0 368.522 0.768 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425885172 489540537 /nfs/dbraw/zinc/54/05/37/489540537.db2.gz OSOQISDXQVDQGO-PKOBYXMFSA-N 2 0 370.497 0.930 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115694 489546681 /nfs/dbraw/zinc/54/66/81/489546681.db2.gz IPKHZQHPDITWDR-AEFFLSMTSA-N 2 0 352.523 0.772 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000415728653 489547301 /nfs/dbraw/zinc/54/73/01/489547301.db2.gz AMKBJJRDZJGHSL-UHFFFAOYSA-N 2 0 359.474 0.193 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748340 491261870 /nfs/dbraw/zinc/26/18/70/491261870.db2.gz AFFWPPHMCFCZBA-HZPDHXFCSA-N 2 0 366.506 0.347 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002567 489567379 /nfs/dbraw/zinc/56/73/79/489567379.db2.gz FDIUMDYLFMIYON-ZDUSSCGKSA-N 2 0 353.433 0.934 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000555662399 491263460 /nfs/dbraw/zinc/26/34/60/491263460.db2.gz FBPKYKDCXVBTDA-IRXDYDNUSA-N 2 0 370.538 0.837 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000563706392 491264338 /nfs/dbraw/zinc/26/43/38/491264338.db2.gz IILXPIOPPHDPDB-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000372399864 489580599 /nfs/dbraw/zinc/58/05/99/489580599.db2.gz WVIMTUCMNFPETM-WDSOQIARSA-N 2 0 360.502 0.845 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000372454900 489586199 /nfs/dbraw/zinc/58/61/99/489586199.db2.gz MHDWAKGJMYSKFN-HDICACEKSA-N 2 0 366.550 0.972 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455664101 489598146 /nfs/dbraw/zinc/59/81/46/489598146.db2.gz ZKHXVUOPVNFUAO-INIZCTEOSA-N 2 0 365.526 0.840 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000416877974 489632573 /nfs/dbraw/zinc/63/25/73/489632573.db2.gz VJSLBYFIEMFHLW-MRXNPFEDSA-N 2 0 353.511 0.892 20 0 FCADRP COC[C@]1(CNC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910441 489633467 /nfs/dbraw/zinc/63/34/67/489633467.db2.gz AWSVOVSVDCYCMC-RVKKMQEKSA-N 2 0 356.511 0.942 20 0 FCADRP C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C[NH3+] ZINC000416955186 489636190 /nfs/dbraw/zinc/63/61/90/489636190.db2.gz WTVKUMWTZWPAMO-NVXWUHKLSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000416963121 489636699 /nfs/dbraw/zinc/63/66/99/489636699.db2.gz BEOUDRKJFSAQTC-HOTGVXAUSA-N 2 0 364.490 0.758 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000416971289 489637491 /nfs/dbraw/zinc/63/74/91/489637491.db2.gz CRXCZBVANVLMKE-KRWDZBQOSA-N 2 0 350.463 0.805 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000417006887 489638097 /nfs/dbraw/zinc/63/80/97/489638097.db2.gz GHBUBDBRJKKTGX-SJORKVTESA-N 2 0 367.538 0.993 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)CC1 ZINC000416993324 489638138 /nfs/dbraw/zinc/63/81/38/489638138.db2.gz PWYVJPBSUDIKOX-UHFFFAOYSA-N 2 0 363.506 0.287 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@H+](C)C1 ZINC000417162285 489643865 /nfs/dbraw/zinc/64/38/65/489643865.db2.gz KUCIRTKZWZUVGA-CYBMUJFWSA-N 2 0 352.439 0.013 20 0 FCADRP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000417385183 489651134 /nfs/dbraw/zinc/65/11/34/489651134.db2.gz LTCRSZRKDSTUCJ-UHFFFAOYSA-N 3 0 360.506 0.987 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620288 489651313 /nfs/dbraw/zinc/65/13/13/489651313.db2.gz PMWNKYHUHXLOMF-ROUUACIJSA-N 2 0 369.554 0.404 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC1 ZINC000428515038 489651481 /nfs/dbraw/zinc/65/14/81/489651481.db2.gz XYRROXHZEHKEAP-UHFFFAOYSA-N 2 0 368.503 0.983 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418872 489651793 /nfs/dbraw/zinc/65/17/93/489651793.db2.gz BZVVFVIMKPMCAR-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449959 489654588 /nfs/dbraw/zinc/65/45/88/489654588.db2.gz YYQYXNXCVJLDPL-JKSUJKDBSA-N 2 0 353.511 0.570 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000417474514 489655490 /nfs/dbraw/zinc/65/54/90/489655490.db2.gz NMTDIZWNZZCHFR-AWEZNQCLSA-N 2 0 371.432 0.760 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000417481228 489656361 /nfs/dbraw/zinc/65/63/61/489656361.db2.gz WGQZIYIGWXCMQH-QGZVFWFLSA-N 2 0 361.490 0.919 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428606466 489656455 /nfs/dbraw/zinc/65/64/55/489656455.db2.gz XHKNQQCUWBHBDY-MRXNPFEDSA-N 2 0 370.563 0.732 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000417515628 489657218 /nfs/dbraw/zinc/65/72/18/489657218.db2.gz LOUPANOJSBEYOE-INIZCTEOSA-N 2 0 361.494 0.430 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417572980 489659165 /nfs/dbraw/zinc/65/91/65/489659165.db2.gz ZGIAIILPSDMSQR-MRXNPFEDSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417836650 489668099 /nfs/dbraw/zinc/66/80/99/489668099.db2.gz HJSGAOSLJWVIMX-OAHLLOKOSA-N 2 0 353.511 0.664 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417843734 489668122 /nfs/dbraw/zinc/66/81/22/489668122.db2.gz NLZQYWHAOBCTJS-CQSZACIVSA-N 2 0 355.527 0.768 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417836649 489668126 /nfs/dbraw/zinc/66/81/26/489668126.db2.gz HJSGAOSLJWVIMX-HNNXBMFYSA-N 2 0 353.511 0.664 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1=O ZINC000428956950 489668583 /nfs/dbraw/zinc/66/85/83/489668583.db2.gz ZICALADQDJVLME-YYIAUSFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000417856615 489668714 /nfs/dbraw/zinc/66/87/14/489668714.db2.gz MZXSMLRTYXMRIM-HUUCEWRRSA-N 2 0 355.527 0.992 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417896892 489670239 /nfs/dbraw/zinc/67/02/39/489670239.db2.gz WFZULCDLYAZMSJ-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000458180378 489672970 /nfs/dbraw/zinc/67/29/70/489672970.db2.gz POIOBTINMMUZHF-UHFFFAOYSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002140 489674749 /nfs/dbraw/zinc/67/47/49/489674749.db2.gz LRGPJIPSPDYWSB-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP CC(C)(CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000418069536 489677310 /nfs/dbraw/zinc/67/73/10/489677310.db2.gz RPZMSRICDXEWKG-HNNXBMFYSA-N 2 0 353.511 0.605 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458407333 489680950 /nfs/dbraw/zinc/68/09/50/489680950.db2.gz CXONAICMKDYUQO-HOTGVXAUSA-N 2 0 353.511 0.700 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462155 489684299 /nfs/dbraw/zinc/68/42/99/489684299.db2.gz PUDOTNVYGKRZEH-MSOLQXFVSA-N 2 0 369.554 0.406 20 0 FCADRP [NH3+]C1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCCC1 ZINC000418301030 489690095 /nfs/dbraw/zinc/69/00/95/489690095.db2.gz XJGIAIGSXXWWEG-UHFFFAOYSA-N 2 0 353.511 0.939 20 0 FCADRP C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418313589 489690623 /nfs/dbraw/zinc/69/06/23/489690623.db2.gz QQAWTPCTZYPOOD-HZPDHXFCSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709369 489697543 /nfs/dbraw/zinc/69/75/43/489697543.db2.gz CSLVSFRGSVGOHX-DLBZAZTESA-N 2 0 356.511 0.633 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155214 489697758 /nfs/dbraw/zinc/69/77/58/489697758.db2.gz ZJSUZQPHOPUOEF-CRAIPNDOSA-N 2 0 351.495 0.311 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418442299 489698924 /nfs/dbraw/zinc/69/89/24/489698924.db2.gz JREKKJVMWJSJPN-BZUAXINKSA-N 2 0 353.511 0.794 20 0 FCADRP C[C@@H](CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836198 491272303 /nfs/dbraw/zinc/27/23/03/491272303.db2.gz NDUVYELWSUEIQR-HLLBOEOZSA-N 2 0 350.507 0.966 20 0 FCADRP NCC(F)(F)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418543867 489705918 /nfs/dbraw/zinc/70/59/18/489705918.db2.gz TXLYWZJMZYMQAT-LSDHHAIUSA-N 2 0 356.417 0.763 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418548568 489705949 /nfs/dbraw/zinc/70/59/49/489705949.db2.gz KVYWALNSFNUQBG-OKZBNKHCSA-N 2 0 362.474 0.818 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418557411 489707012 /nfs/dbraw/zinc/70/70/12/489707012.db2.gz AYOUTLPPXJAZGB-OJDYBEQGSA-N 2 0 354.401 0.290 20 0 FCADRP CN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418572207 489707759 /nfs/dbraw/zinc/70/77/59/489707759.db2.gz SJCFBFBPSIWCCJ-MWNCTCPHSA-N 2 0 354.401 0.384 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000418567921 489708089 /nfs/dbraw/zinc/70/80/89/489708089.db2.gz XCTGOTWHJCRDKY-SCTDSRPQSA-N 2 0 364.490 0.753 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418620079 489711001 /nfs/dbraw/zinc/71/10/01/489711001.db2.gz QILXSGGFAOSLJP-VZANTVGXSA-N 2 0 363.428 0.638 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418623418 489711994 /nfs/dbraw/zinc/71/19/94/489711994.db2.gz XEACLZALJYZYOG-WCQYABFASA-N 2 0 351.417 0.591 20 0 FCADRP COCC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[NH2+]CC1 ZINC000418637660 489714539 /nfs/dbraw/zinc/71/45/39/489714539.db2.gz KAUMSNHOKJSCQZ-HNNXBMFYSA-N 2 0 356.511 0.489 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418662569 489716724 /nfs/dbraw/zinc/71/67/24/489716724.db2.gz DDJOCVUKZBQTCI-INMHGKMJSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000489542009 489716820 /nfs/dbraw/zinc/71/68/20/489716820.db2.gz AAOIXSUPZYBTFM-MSOLQXFVSA-N 2 0 369.554 0.549 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418691293 489718241 /nfs/dbraw/zinc/71/82/41/489718241.db2.gz YBVALTRTGUFCOC-OKZBNKHCSA-N 2 0 373.501 0.771 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418757081 489723237 /nfs/dbraw/zinc/72/32/37/489723237.db2.gz HJLKUXKWTMYLOZ-MRXNPFEDSA-N 2 0 351.470 0.803 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)CC1 ZINC000489748573 489726529 /nfs/dbraw/zinc/72/65/29/489726529.db2.gz ZZCRSTUWIOSBLE-KRWDZBQOSA-N 2 0 354.564 0.910 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418794669 489728529 /nfs/dbraw/zinc/72/85/29/489728529.db2.gz RKXUVMUFCNHHGI-PKOBYXMFSA-N 2 0 362.474 0.301 20 0 FCADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC(=O)NCc1ccccc1 ZINC000489904255 489734988 /nfs/dbraw/zinc/73/49/88/489734988.db2.gz CQZQLMVSMCMODL-KRWDZBQOSA-N 2 0 359.474 0.382 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000418826271 489740896 /nfs/dbraw/zinc/74/08/96/489740896.db2.gz BCPNWJLDKHBVSH-SFHVURJKSA-N 2 0 372.513 0.878 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000490012466 489740852 /nfs/dbraw/zinc/74/08/52/489740852.db2.gz JMQLIXRVSLSAMV-INIZCTEOSA-N 2 0 352.504 0.416 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418827344 489742347 /nfs/dbraw/zinc/74/23/47/489742347.db2.gz GSUVDZCWWCOCRX-BFHYXJOUSA-N 2 0 368.503 0.432 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418828386 489742532 /nfs/dbraw/zinc/74/25/32/489742532.db2.gz HVPLIAZBZHKSBO-HZPDHXFCSA-N 2 0 366.506 0.524 20 0 FCADRP [NH3+]CCCOC1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000430542558 489744693 /nfs/dbraw/zinc/74/46/93/489744693.db2.gz KVJGHRYCSXXZMF-UHFFFAOYSA-N 2 0 354.373 0.594 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000418833362 489745792 /nfs/dbraw/zinc/74/57/92/489745792.db2.gz IHLVSEWEJKWSDT-WBVHZDCISA-N 2 0 374.485 0.769 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCC1 ZINC000418834858 489746358 /nfs/dbraw/zinc/74/63/58/489746358.db2.gz YJIJOFMMOMMVHH-HRCADAONSA-N 2 0 350.507 0.810 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[NH+](C)C)c1 ZINC000418839122 489749292 /nfs/dbraw/zinc/74/92/92/489749292.db2.gz DBNLUMGQOIFGOZ-VBQJREDUSA-N 2 0 362.474 0.623 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430601680 489750287 /nfs/dbraw/zinc/75/02/87/489750287.db2.gz FAVGAWHHNLOFGO-CYBMUJFWSA-N 2 0 362.430 0.531 20 0 FCADRP COc1cc(CNC(=O)C[NH+]2CCC(C[NH3+])CC2)cc(OC)c1OC ZINC000430603424 489751085 /nfs/dbraw/zinc/75/10/85/489751085.db2.gz KCVFDBKZLMUFPZ-UHFFFAOYSA-N 2 0 351.447 0.999 20 0 FCADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430611396 489753443 /nfs/dbraw/zinc/75/34/43/489753443.db2.gz OFEAMPXUJJIJRP-QGZVFWFLSA-N 2 0 362.474 0.236 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430614732 489753477 /nfs/dbraw/zinc/75/34/77/489753477.db2.gz AGFIDCJMLJJMRC-AWEZNQCLSA-N 2 0 361.446 0.512 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]1CCCC1 ZINC000418847527 489754586 /nfs/dbraw/zinc/75/45/86/489754586.db2.gz JLUWUANGXACOHB-INIZCTEOSA-N 2 0 362.474 0.803 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849761 489755208 /nfs/dbraw/zinc/75/52/08/489755208.db2.gz NFCQFZPPHRSTKC-SQNIBIBYSA-N 2 0 358.486 0.343 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849757 489755536 /nfs/dbraw/zinc/75/55/36/489755536.db2.gz NFCQFZPPHRSTKC-BZSNNMDCSA-N 2 0 358.486 0.343 20 0 FCADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620188 489756304 /nfs/dbraw/zinc/75/63/04/489756304.db2.gz BVUUFCXCJVXFRV-ZACQAIPSSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000418852887 489757426 /nfs/dbraw/zinc/75/74/26/489757426.db2.gz RPAVESAJZHCBJW-QAPCUYQASA-N 2 0 360.502 0.861 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]1CCCC1 ZINC000418852568 489757467 /nfs/dbraw/zinc/75/74/67/489757467.db2.gz RCZTYHUKUHWTII-GDBMZVCRSA-N 2 0 362.474 0.802 20 0 FCADRP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630626 489758237 /nfs/dbraw/zinc/75/82/37/489758237.db2.gz ZCWDMJMICXXIIU-OAHLLOKOSA-N 2 0 364.515 0.817 20 0 FCADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633758 489758961 /nfs/dbraw/zinc/75/89/61/489758961.db2.gz QDFBQRFBOIFQAP-GOEBONIOSA-N 2 0 364.465 0.660 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+]1CCCC1 ZINC000418855302 489759474 /nfs/dbraw/zinc/75/94/74/489759474.db2.gz USNXPUQCESKOGJ-GDBMZVCRSA-N 2 0 362.474 0.754 20 0 FCADRP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641193 489759940 /nfs/dbraw/zinc/75/99/40/489759940.db2.gz IHBGYGPVOVKCBM-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@H]1C[NH3+] ZINC000418856950 489760508 /nfs/dbraw/zinc/76/05/08/489760508.db2.gz XXONSULOAYHVRN-NXHRZFHOSA-N 2 0 360.502 0.861 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000418858836 489761338 /nfs/dbraw/zinc/76/13/38/489761338.db2.gz KEGINOJXFMSIDX-IRXDYDNUSA-N 2 0 362.474 0.290 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000418858835 489761700 /nfs/dbraw/zinc/76/17/00/489761700.db2.gz KEGINOJXFMSIDX-IAGOWNOFSA-N 2 0 362.474 0.290 20 0 FCADRP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646613 489762016 /nfs/dbraw/zinc/76/20/16/489762016.db2.gz WRRVHUSWAGJSAE-HZPDHXFCSA-N 2 0 374.489 0.059 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418866576 489765702 /nfs/dbraw/zinc/76/57/02/489765702.db2.gz OBBJMPAOLSADHS-CABCVRRESA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cn1 ZINC000430792410 489770543 /nfs/dbraw/zinc/77/05/43/489770543.db2.gz RDDUGHAZWRNDDZ-JKSUJKDBSA-N 2 0 364.494 0.797 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418877873 489771143 /nfs/dbraw/zinc/77/11/43/489771143.db2.gz PTXVXOQFKHLOGJ-QZTJIDSGSA-N 2 0 374.485 0.802 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000418877360 489771157 /nfs/dbraw/zinc/77/11/57/489771157.db2.gz OMNFVLHNUPCCNM-QZTJIDSGSA-N 2 0 360.502 0.876 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418879244 489772186 /nfs/dbraw/zinc/77/21/86/489772186.db2.gz NBPPYUVYEWNUJN-ZWKOTPCHSA-N 2 0 374.485 0.209 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000430867519 489773997 /nfs/dbraw/zinc/77/39/97/489773997.db2.gz KSFSLTXPVJSVGR-QGZVFWFLSA-N 2 0 360.458 0.353 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H](C)[NH2+]1 ZINC000418884975 489774872 /nfs/dbraw/zinc/77/48/72/489774872.db2.gz XSWSTYOEVVQIRE-RKVPGOIHSA-N 2 0 374.485 0.078 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H]1C[NH3+] ZINC000418885239 489774885 /nfs/dbraw/zinc/77/48/85/489774885.db2.gz YGJMYFGWTVGNRG-OAGGEKHMSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418885936 489775453 /nfs/dbraw/zinc/77/54/53/489775453.db2.gz ZPUMLZDQMUTILO-BZUAXINKSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430951406 489780934 /nfs/dbraw/zinc/78/09/34/489780934.db2.gz LEFQRGJRWJUXDJ-VXGBXAGGSA-N 2 0 354.476 0.720 20 0 FCADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCCN1CCCCCC1=O ZINC000431029781 489785432 /nfs/dbraw/zinc/78/54/32/489785432.db2.gz GLYGRZQBLSFDIR-UHFFFAOYSA-N 2 0 350.507 0.971 20 0 FCADRP COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032652 489785713 /nfs/dbraw/zinc/78/57/13/489785713.db2.gz KITZOQSGFLRUST-UHFFFAOYSA-N 2 0 374.485 0.979 20 0 FCADRP CCCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083322 489787463 /nfs/dbraw/zinc/78/74/63/489787463.db2.gz LMKIQPGESRORFX-GOSISDBHSA-N 2 0 354.539 0.923 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000474810055 489787443 /nfs/dbraw/zinc/78/74/43/489787443.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000418915092 489788321 /nfs/dbraw/zinc/78/83/21/489788321.db2.gz UPAWOZNPLFRFPU-UVBJJODRSA-N 2 0 368.428 0.798 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000418915654 489789863 /nfs/dbraw/zinc/78/98/63/489789863.db2.gz QDZXGKWYDDMJJH-QGZVFWFLSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000459917985 489792026 /nfs/dbraw/zinc/79/20/26/489792026.db2.gz HRHDJEGHAWOTAR-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000459918898 489793362 /nfs/dbraw/zinc/79/33/62/489793362.db2.gz JNQHPIJQUZOHPJ-QGZVFWFLSA-N 2 0 368.522 0.500 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418928698 489793855 /nfs/dbraw/zinc/79/38/55/489793855.db2.gz VHSUTQYEWNUWBT-SFHVURJKSA-N 2 0 374.485 0.379 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000418942184 489798459 /nfs/dbraw/zinc/79/84/59/489798459.db2.gz AKYQRGZCCPLLML-SFHVURJKSA-N 2 0 374.485 0.631 20 0 FCADRP C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[N@H+](C)C1CC1 ZINC000431283348 489798805 /nfs/dbraw/zinc/79/88/05/489798805.db2.gz PKYZJFDEAVBLLC-HNNXBMFYSA-N 2 0 353.511 0.761 20 0 FCADRP CCOC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000475020408 489802110 /nfs/dbraw/zinc/80/21/10/489802110.db2.gz SGPYYGOKVNBHIM-LJQANCHMSA-N 2 0 371.522 0.717 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418956897 489803634 /nfs/dbraw/zinc/80/36/34/489803634.db2.gz SUTSJWDEXZCOJH-IXDOHACOSA-N 2 0 368.522 0.504 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000459957375 489804316 /nfs/dbraw/zinc/80/43/16/489804316.db2.gz YMRNJJUDSCDIHP-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CCC(=O)N1CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000475062680 489804497 /nfs/dbraw/zinc/80/44/97/489804497.db2.gz HWWYMOLEMWNHPB-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000418984946 489809986 /nfs/dbraw/zinc/80/99/86/489809986.db2.gz FKKIMIOBVRBVEL-BZSNNMDCSA-N 2 0 358.486 0.950 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418985974 489809991 /nfs/dbraw/zinc/80/99/91/489809991.db2.gz NTHNFJLRLDFOHT-BPQIPLTHSA-N 2 0 358.486 0.788 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419012656 489817679 /nfs/dbraw/zinc/81/76/79/489817679.db2.gz WVYGKQRJDPTTDO-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419015688 489818600 /nfs/dbraw/zinc/81/86/00/489818600.db2.gz LJWBWJBIMYHMDW-KRWDZBQOSA-N 2 0 362.474 0.249 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000419015877 489818998 /nfs/dbraw/zinc/81/89/98/489818998.db2.gz FJJIJAMQNXWAPM-ZWKOTPCHSA-N 2 0 358.486 0.822 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419027377 489823639 /nfs/dbraw/zinc/82/36/39/489823639.db2.gz CJNGCNIHYFMFBM-HNNXBMFYSA-N 2 0 370.563 0.954 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419029326 489824379 /nfs/dbraw/zinc/82/43/79/489824379.db2.gz RRKNDBOYAZXFSC-TWMKSMIVSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419029328 489824412 /nfs/dbraw/zinc/82/44/12/489824412.db2.gz RRKNDBOYAZXFSC-YVSFHVDLSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419027942 489824609 /nfs/dbraw/zinc/82/46/09/489824609.db2.gz PGKBZZAVOKJRFH-XUWVNRHRSA-N 2 0 352.523 0.973 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419033593 489825954 /nfs/dbraw/zinc/82/59/54/489825954.db2.gz LPNOWPMRZOPQJY-HNNXBMFYSA-N 2 0 370.563 0.826 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000419032278 489826580 /nfs/dbraw/zinc/82/65/80/489826580.db2.gz AVWUEUSBCUQOEL-VQHPVUNQSA-N 2 0 368.522 0.626 20 0 FCADRP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000460039394 489827993 /nfs/dbraw/zinc/82/79/93/489827993.db2.gz XSLDFULMBHDQFQ-ROUUACIJSA-N 2 0 360.502 0.936 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419037912 489829393 /nfs/dbraw/zinc/82/93/93/489829393.db2.gz DQOSVXMCQMPHEG-RDJZCZTQSA-N 2 0 368.522 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[C@H](C)N1CCO ZINC000460044817 489830191 /nfs/dbraw/zinc/83/01/91/489830191.db2.gz VDYJDTGRVUTTBW-IYBDPMFKSA-N 2 0 368.522 0.090 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419045339 489833168 /nfs/dbraw/zinc/83/31/68/489833168.db2.gz NQIJAPDORXYMFU-KBAYOESNSA-N 2 0 374.485 0.514 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000377096279 489850910 /nfs/dbraw/zinc/85/09/10/489850910.db2.gz YZYXFMRDGVKBQW-MRXNPFEDSA-N 2 0 368.522 0.992 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000419109224 489857698 /nfs/dbraw/zinc/85/76/98/489857698.db2.gz MOEKZPHSOYFCFB-CJNGLKHVSA-N 2 0 364.465 0.947 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261785 489859396 /nfs/dbraw/zinc/85/93/96/489859396.db2.gz RQJXEAHFOBLYRW-QUCCMNQESA-N 2 0 360.502 0.917 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000419111965 489859783 /nfs/dbraw/zinc/85/97/83/489859783.db2.gz PHRKAPOXRSSEDQ-GOEBONIOSA-N 2 0 362.449 0.571 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460276285 489861715 /nfs/dbraw/zinc/86/17/15/489861715.db2.gz XMPCYPIHALXRQB-SFHVURJKSA-N 2 0 350.463 0.493 20 0 FCADRP CC(C)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)Nc1cc[nH]n1 ZINC000433112780 489866454 /nfs/dbraw/zinc/86/64/54/489866454.db2.gz ALHJUPPDKTUITI-OAHLLOKOSA-N 2 0 364.494 1.082 20 0 FCADRP NC(=O)c1cccnc1N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433157232 489868492 /nfs/dbraw/zinc/86/84/92/489868492.db2.gz LNOKTHZSIZONJL-UHFFFAOYSA-N 2 0 374.489 0.032 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000433163749 489869633 /nfs/dbraw/zinc/86/96/33/489869633.db2.gz PGCOIPACRVOZRF-UHFFFAOYSA-N 3 0 352.523 0.761 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419978032 489872458 /nfs/dbraw/zinc/87/24/58/489872458.db2.gz NPNJAMKWZOYBAT-INIZCTEOSA-N 2 0 366.506 0.063 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000419991571 489875037 /nfs/dbraw/zinc/87/50/37/489875037.db2.gz KTACSJXTSURSGJ-LBPRGKRZSA-N 2 0 356.417 0.709 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433380718 489879842 /nfs/dbraw/zinc/87/98/42/489879842.db2.gz DXDTVTRSXXOXQO-OAHLLOKOSA-N 2 0 350.467 0.433 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433372614 489880167 /nfs/dbraw/zinc/88/01/67/489880167.db2.gz AVIKIOVIROFZGV-MRXNPFEDSA-N 2 0 363.510 0.206 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433393302 489881756 /nfs/dbraw/zinc/88/17/56/489881756.db2.gz CNBYTJDRDSSJEV-HNNXBMFYSA-N 2 0 352.483 0.633 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413176 489882017 /nfs/dbraw/zinc/88/20/17/489882017.db2.gz WASYFEKPLFRIRM-ROUUACIJSA-N 2 0 369.554 0.670 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413174 489882476 /nfs/dbraw/zinc/88/24/76/489882476.db2.gz WASYFEKPLFRIRM-QZTJIDSGSA-N 2 0 369.554 0.670 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000433463493 489886525 /nfs/dbraw/zinc/88/65/25/489886525.db2.gz REVWWLBXZDHXMG-INIZCTEOSA-N 2 0 356.511 0.585 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420037661 489888684 /nfs/dbraw/zinc/88/86/84/489888684.db2.gz UWIWTODHBUJLQU-FUHWJXTLSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420047129 489892581 /nfs/dbraw/zinc/89/25/81/489892581.db2.gz WBWVALRSZBQJFP-ZNMIVQPWSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058178 489897050 /nfs/dbraw/zinc/89/70/50/489897050.db2.gz OATVLXQFAYELSX-WMLDXEAASA-N 2 0 366.506 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000420064803 489899978 /nfs/dbraw/zinc/89/99/78/489899978.db2.gz WOIGORCWRNKQPA-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000420065365 489900241 /nfs/dbraw/zinc/90/02/41/489900241.db2.gz POPYOSSWBZJOOF-CKEIUWERSA-N 2 0 366.506 0.188 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420066648 489901004 /nfs/dbraw/zinc/90/10/04/489901004.db2.gz RPHQKGBOESPDND-MAUKXSAKSA-N 2 0 358.486 0.963 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000420066566 489901167 /nfs/dbraw/zinc/90/11/67/489901167.db2.gz RCYIJBCGDKLEQY-KRWDZBQOSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420073062 489902951 /nfs/dbraw/zinc/90/29/51/489902951.db2.gz XYEMBVVXKDKGQE-BFYDXBDKSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420080356 489905462 /nfs/dbraw/zinc/90/54/62/489905462.db2.gz GPOPAYVMDWVBQD-IJEWVQPXSA-N 2 0 354.495 0.236 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCCC1 ZINC000420082841 489906282 /nfs/dbraw/zinc/90/62/82/489906282.db2.gz JZUUGTNBYIUXLN-KRWDZBQOSA-N 2 0 366.506 0.191 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420087412 489907528 /nfs/dbraw/zinc/90/75/28/489907528.db2.gz POQXRKICXBDWRY-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086799 489907666 /nfs/dbraw/zinc/90/76/66/489907666.db2.gz DNCIGQXZMISFIO-KRWDZBQOSA-N 2 0 373.501 0.892 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420089700 489908281 /nfs/dbraw/zinc/90/82/81/489908281.db2.gz FYCMVRGQWOMACQ-CJNGLKHVSA-N 2 0 368.428 0.547 20 0 FCADRP C[C@H](CN1CCOCC1)N(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433988991 489908368 /nfs/dbraw/zinc/90/83/68/489908368.db2.gz VDLUKGDBDHFLDB-ZACQAIPSSA-N 2 0 356.511 0.848 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]C1 ZINC000420095702 489910404 /nfs/dbraw/zinc/91/04/04/489910404.db2.gz IKCRJXCBFPMHGE-LJQANCHMSA-N 2 0 366.506 0.063 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420100518 489912170 /nfs/dbraw/zinc/91/21/70/489912170.db2.gz KPLKIWQBVZDLMX-SFHVURJKSA-N 2 0 356.470 0.993 20 0 FCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420103220 489913232 /nfs/dbraw/zinc/91/32/32/489913232.db2.gz OZXQQBMJFGPIKO-INIZCTEOSA-N 2 0 356.470 0.850 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC1=O ZINC000377529216 489915674 /nfs/dbraw/zinc/91/56/74/489915674.db2.gz AFJUQCRYOFCOCR-QWRGUYRKSA-N 2 0 351.476 0.308 20 0 FCADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420109211 489915853 /nfs/dbraw/zinc/91/58/53/489915853.db2.gz ANDKGSWXDFCCKR-SOUVJXGZSA-N 2 0 354.495 0.058 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420112352 489916316 /nfs/dbraw/zinc/91/63/16/489916316.db2.gz ATUPKFPMJDTVDJ-CVEARBPZSA-N 2 0 367.538 0.247 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377535412 489916666 /nfs/dbraw/zinc/91/66/66/489916666.db2.gz GZUSHXNFROKWOZ-QGZVFWFLSA-N 2 0 350.507 0.528 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420119323 489919173 /nfs/dbraw/zinc/91/91/73/489919173.db2.gz JNZUJPMIVDIASE-HOTGVXAUSA-N 2 0 354.495 0.191 20 0 FCADRP Cc1ccc([C@H](CNc2nc(NCCO)[nH+]c(NC(C)C)n2)[NH+](C)C)cc1 ZINC000555925764 491283797 /nfs/dbraw/zinc/28/37/97/491283797.db2.gz SATQUSOCLOWGCX-INIZCTEOSA-N 2 0 373.505 0.385 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477031046 489933301 /nfs/dbraw/zinc/93/33/01/489933301.db2.gz XAVZKTXOHPRYGE-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420152572 489933567 /nfs/dbraw/zinc/93/35/67/489933567.db2.gz AGEFIWDKOJWNJA-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC[C@@H]21 ZINC000420157838 489934857 /nfs/dbraw/zinc/93/48/57/489934857.db2.gz GUWDRVJBZYMXTN-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420168447 489937938 /nfs/dbraw/zinc/93/79/38/489937938.db2.gz KJSCMKADASZCFR-IKGGRYGDSA-N 2 0 367.538 0.118 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420168443 489938502 /nfs/dbraw/zinc/93/85/02/489938502.db2.gz KJSCMKADASZCFR-BRWVUGGUSA-N 2 0 367.538 0.118 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000477081555 489939938 /nfs/dbraw/zinc/93/99/38/489939938.db2.gz LZFKVAQKKCEDNZ-JYJNAYRXSA-N 2 0 356.511 0.448 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000420185044 489944274 /nfs/dbraw/zinc/94/42/74/489944274.db2.gz JFVRGBNZHAMRIW-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000420189720 489946571 /nfs/dbraw/zinc/94/65/71/489946571.db2.gz GNCZHSSJLMFNBZ-JCCCHCCOSA-N 2 0 350.507 0.953 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169709 491290128 /nfs/dbraw/zinc/29/01/28/491290128.db2.gz YAVXQTCOODHJPB-YESZJQIVSA-N 2 0 363.506 0.608 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420194133 489947228 /nfs/dbraw/zinc/94/72/28/489947228.db2.gz DOFBJOLTVLRFFL-IJGSYPAGSA-N 2 0 362.518 0.809 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000420192861 489947307 /nfs/dbraw/zinc/94/73/07/489947307.db2.gz INYGPOCKJLTKHF-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420199531 489949570 /nfs/dbraw/zinc/94/95/70/489949570.db2.gz FAERPKQRRRVJMN-KRWDZBQOSA-N 2 0 374.485 0.343 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477201999 489949736 /nfs/dbraw/zinc/94/97/36/489949736.db2.gz GWKJULNEFHJWIM-LPHOPBHVSA-N 2 0 370.538 0.650 20 0 FCADRP C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420202801 489950494 /nfs/dbraw/zinc/95/04/94/489950494.db2.gz JWDMSBQJCMSJEW-NVXWUHKLSA-N 2 0 374.485 0.078 20 0 FCADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000420305646 489961989 /nfs/dbraw/zinc/96/19/89/489961989.db2.gz ZBKQUGHIKYTMDQ-ROUUACIJSA-N 3 0 360.502 0.881 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000420327512 489963626 /nfs/dbraw/zinc/96/36/26/489963626.db2.gz GMWXNTSRCXICOV-MTNOOBJLSA-N 2 0 351.491 0.985 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477430542 489964642 /nfs/dbraw/zinc/96/46/42/489964642.db2.gz OKOIBJRAODCNAY-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351029 489966641 /nfs/dbraw/zinc/96/66/41/489966641.db2.gz VQFFKPPOSPLDBY-GOSISDBHSA-N 2 0 360.502 0.893 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000420381042 489969306 /nfs/dbraw/zinc/96/93/06/489969306.db2.gz RQIMHXKIAMSMLA-LJQANCHMSA-N 2 0 358.490 0.591 20 0 FCADRP [NH3+]C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000420389951 489970754 /nfs/dbraw/zinc/97/07/54/489970754.db2.gz MRLRNZCXNRCJTN-LJQANCHMSA-N 2 0 360.502 0.948 20 0 FCADRP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C[NH2+]1 ZINC000420409916 489972505 /nfs/dbraw/zinc/97/25/05/489972505.db2.gz XPJCMNRJWMHVOI-IRXDYDNUSA-N 2 0 352.523 0.820 20 0 FCADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C)C[NH2+]1 ZINC000420409915 489972890 /nfs/dbraw/zinc/97/28/90/489972890.db2.gz XPJCMNRJWMHVOI-IAGOWNOFSA-N 2 0 352.523 0.820 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000420420224 489974186 /nfs/dbraw/zinc/97/41/86/489974186.db2.gz JQFSKFQZHKKRSZ-HNNXBMFYSA-N 2 0 355.508 0.577 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420447384 489978071 /nfs/dbraw/zinc/97/80/71/489978071.db2.gz IUHBFVQNECFBFJ-IUODEOHRSA-N 2 0 357.524 0.809 20 0 FCADRP COc1ccccc1-n1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cn1 ZINC000420464243 489981250 /nfs/dbraw/zinc/98/12/50/489981250.db2.gz XHTDPBLLEOZGPK-UHFFFAOYSA-N 2 0 367.475 0.569 20 0 FCADRP COC(=O)c1cc(OC)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])s1 ZINC000420464318 489981375 /nfs/dbraw/zinc/98/13/75/489981375.db2.gz XMKDWSZDUCGANL-UHFFFAOYSA-N 2 0 365.477 0.232 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000477651640 489981774 /nfs/dbraw/zinc/98/17/74/489981774.db2.gz JOHLBQIPGDQOCJ-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420467407 489981886 /nfs/dbraw/zinc/98/18/86/489981886.db2.gz XFJWTZUXAHJDJJ-CABCVRRESA-N 2 0 357.524 0.857 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477652912 489981953 /nfs/dbraw/zinc/98/19/53/489981953.db2.gz OCNZPOISDNADIW-HNNXBMFYSA-N 2 0 354.495 0.014 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000377931442 489982109 /nfs/dbraw/zinc/98/21/09/489982109.db2.gz JGKBXAFQVZFIFM-RCCFBDPRSA-N 2 0 368.522 0.992 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000556083852 491293515 /nfs/dbraw/zinc/29/35/15/491293515.db2.gz GGDOITYVCNQBCB-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000435474520 490002782 /nfs/dbraw/zinc/00/27/82/490002782.db2.gz WVZPTKAGHSKSNM-HZPDHXFCSA-N 2 0 361.446 0.584 20 0 FCADRP [NH3+]C[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCO1 ZINC000478268244 490013154 /nfs/dbraw/zinc/01/31/54/490013154.db2.gz PZFNRXVVGRCPRI-QGZVFWFLSA-N 2 0 364.515 0.833 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539475 490023852 /nfs/dbraw/zinc/02/38/52/490023852.db2.gz FKODEDWFXPYIHF-DOTOQJQBSA-N 2 0 359.474 0.990 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853677 490025787 /nfs/dbraw/zinc/02/57/87/490025787.db2.gz DSVGNLAOYBNSIC-QZTJIDSGSA-N 2 0 358.486 0.930 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869309 490046847 /nfs/dbraw/zinc/04/68/47/490046847.db2.gz PVLVZEWNVLVPJK-HOTGVXAUSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906205 490052988 /nfs/dbraw/zinc/05/29/88/490052988.db2.gz PPDCUSPYDNKRPY-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061397 490065513 /nfs/dbraw/zinc/06/55/13/490065513.db2.gz ROELBQQQTDYZMM-CHWSQXEVSA-N 2 0 354.476 0.722 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000571267786 491296790 /nfs/dbraw/zinc/29/67/90/491296790.db2.gz GEBUVWQWEZDPDL-KURKYZTESA-N 2 0 368.522 0.881 20 0 FCADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000465175557 490091415 /nfs/dbraw/zinc/09/14/15/490091415.db2.gz BJAPDTFLRUMRKV-ZWKOTPCHSA-N 2 0 369.554 0.404 20 0 FCADRP C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519098 490099240 /nfs/dbraw/zinc/09/92/40/490099240.db2.gz SMFQYRURQGRJGR-ZIAGYGMSSA-N 2 0 370.519 0.831 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000421724449 490099638 /nfs/dbraw/zinc/09/96/38/490099638.db2.gz BSKBLUXVTYCIDJ-RHSMWYFYSA-N 2 0 356.536 0.481 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCSC1 ZINC000421727585 490102399 /nfs/dbraw/zinc/10/23/99/490102399.db2.gz YNWHEEINXSHATF-KRWDZBQOSA-N 2 0 356.536 0.531 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000571326156 491300819 /nfs/dbraw/zinc/30/08/19/491300819.db2.gz BSAACWCIFCCEJP-CVEARBPZSA-N 2 0 368.522 0.579 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000422027647 490127857 /nfs/dbraw/zinc/12/78/57/490127857.db2.gz WMZWCKZHOTYUKI-GOSISDBHSA-N 2 0 366.550 0.973 20 0 FCADRP COc1ccc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000520359077 490135992 /nfs/dbraw/zinc/13/59/92/490135992.db2.gz KRPODBHPTKWNAB-UHFFFAOYSA-N 2 0 364.490 0.605 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000520384390 490140901 /nfs/dbraw/zinc/14/09/01/490140901.db2.gz PTLDKWYWEVJIRE-OAHLLOKOSA-N 2 0 355.527 0.421 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000479995166 490145855 /nfs/dbraw/zinc/14/58/55/490145855.db2.gz VKGWVKPJROGALS-INIZCTEOSA-N 2 0 351.495 0.420 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000465852908 490147766 /nfs/dbraw/zinc/14/77/66/490147766.db2.gz XTRXHPDICZKTMQ-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465958221 490157845 /nfs/dbraw/zinc/15/78/45/490157845.db2.gz SINHICIFWODWLI-JKSUJKDBSA-N 2 0 353.511 0.557 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000466097135 490165238 /nfs/dbraw/zinc/16/52/38/490165238.db2.gz CWCMAIGZGZRIGG-MRXNPFEDSA-N 2 0 353.511 0.747 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000446801193 490166209 /nfs/dbraw/zinc/16/62/09/490166209.db2.gz IKKKUQJIZHSSPI-HUUCEWRRSA-N 2 0 364.494 0.714 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556246065 491305813 /nfs/dbraw/zinc/30/58/13/491305813.db2.gz RAKWOFBGMSWJBB-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248452 491306207 /nfs/dbraw/zinc/30/62/07/491306207.db2.gz ZZHWFBQXTRLERC-IAGOWNOFSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@H]2C1 ZINC000497676579 490193681 /nfs/dbraw/zinc/19/36/81/490193681.db2.gz IIDKKTAWMFBRMN-ROUUACIJSA-N 2 0 367.538 0.112 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000571422257 491306825 /nfs/dbraw/zinc/30/68/25/491306825.db2.gz GHIZCXQCVSNCHU-MRXNPFEDSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000422257312 490211168 /nfs/dbraw/zinc/21/11/68/490211168.db2.gz HELCXRHXZBXFPJ-UHFFFAOYSA-N 2 0 352.504 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414636 490219252 /nfs/dbraw/zinc/21/92/52/490219252.db2.gz PSZISRSAHOLJKO-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000507768253 490263855 /nfs/dbraw/zinc/26/38/55/490263855.db2.gz AEBKZKXOCLBAMZ-UHFFFAOYSA-N 2 0 364.494 0.718 20 0 FCADRP [NH3+]C[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526682 491313303 /nfs/dbraw/zinc/31/33/03/491313303.db2.gz KOMJFIYNZVKSSN-SFHVURJKSA-N 2 0 372.513 0.936 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000447979826 490306723 /nfs/dbraw/zinc/30/67/23/490306723.db2.gz BKSOOORWDCORTP-CVEARBPZSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000483333292 490309214 /nfs/dbraw/zinc/30/92/14/490309214.db2.gz LLCRLLIFHUMBJI-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467691523 490330545 /nfs/dbraw/zinc/33/05/45/490330545.db2.gz OFFHVAQCYQHUJU-ALOPSCKCSA-N 2 0 363.502 0.952 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000534266502 490338138 /nfs/dbraw/zinc/33/81/38/490338138.db2.gz HMIQVQXONDDSAQ-YYIAUSFCSA-N 2 0 350.507 0.539 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522118223 490343965 /nfs/dbraw/zinc/34/39/65/490343965.db2.gz XMSCBDNKAYMAKG-INIZCTEOSA-N 2 0 371.485 0.721 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626684 491319518 /nfs/dbraw/zinc/31/95/18/491319518.db2.gz PTIVKCAAKRNEHB-MLHJIOFPSA-N 2 0 356.470 0.683 20 0 FCADRP CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000522186841 490351047 /nfs/dbraw/zinc/35/10/47/490351047.db2.gz AQDRGXAIDXIQIU-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000522186842 490351996 /nfs/dbraw/zinc/35/19/96/490351996.db2.gz AQDRGXAIDXIQIU-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000498850987 490353505 /nfs/dbraw/zinc/35/35/05/490353505.db2.gz COTMWADPFWJXRM-QGZVFWFLSA-N 2 0 350.507 0.993 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000448508502 490358211 /nfs/dbraw/zinc/35/82/11/490358211.db2.gz TXCRUMOHBMWNSA-UHFFFAOYSA-N 2 0 364.494 0.762 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289280 490367129 /nfs/dbraw/zinc/36/71/29/490367129.db2.gz ANDOFEQBJDHTEC-RDJZCZTQSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000571662636 491321666 /nfs/dbraw/zinc/32/16/66/491321666.db2.gz WMJAQQROMGSKAZ-MAUKXSAKSA-N 2 0 370.563 0.921 20 0 FCADRP Cc1cc(NC(=O)C(=O)NCCC[NH+](C)C)ccc1OCC[NH+](C)C ZINC000411118217 490387843 /nfs/dbraw/zinc/38/78/43/490387843.db2.gz DUMFAXMQRWWHTH-UHFFFAOYSA-N 2 0 350.463 0.942 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739112 491324073 /nfs/dbraw/zinc/32/40/73/491324073.db2.gz BHGVUVJPFWASBD-FGTMMUONSA-N 2 0 371.485 0.462 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000522982806 490425158 /nfs/dbraw/zinc/42/51/58/490425158.db2.gz GERBRNCSQNPOCH-MRXNPFEDSA-N 2 0 369.510 0.126 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624657 490431537 /nfs/dbraw/zinc/43/15/37/490431537.db2.gz CMYZHVQFUXJJMB-OFLPRAFFSA-N 2 0 368.522 0.545 20 0 FCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422625607 490432964 /nfs/dbraw/zinc/43/29/64/490432964.db2.gz BXFIQYAPNBTENS-MGPQQGTHSA-N 2 0 368.503 0.968 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000484517161 490435882 /nfs/dbraw/zinc/43/58/82/490435882.db2.gz IFNGWVWPFMQBMO-INIZCTEOSA-N 2 0 352.548 0.854 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000422642570 490439863 /nfs/dbraw/zinc/43/98/63/490439863.db2.gz ZPPDKJIPFBEKMO-IKGGRYGDSA-N 2 0 360.506 0.821 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000509709220 490453882 /nfs/dbraw/zinc/45/38/82/490453882.db2.gz AKTYAJHOANLONT-HOTGVXAUSA-N 2 0 356.511 0.402 20 0 FCADRP CC1=CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC=C(C)CC3)CC2)CC1 ZINC000535205849 490463942 /nfs/dbraw/zinc/46/39/42/490463942.db2.gz KRASZXDYLMBBIF-UHFFFAOYSA-N 2 0 360.502 0.961 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000509811098 490467548 /nfs/dbraw/zinc/46/75/48/490467548.db2.gz JDQDTQALNNPHAC-UXLLHSPISA-N 2 0 356.511 0.339 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000509811101 490467861 /nfs/dbraw/zinc/46/78/61/490467861.db2.gz JDQDTQALNNPHAC-ZOBUZTSGSA-N 2 0 356.511 0.339 20 0 FCADRP 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 ZINC000450517166 490471083 /nfs/dbraw/zinc/47/10/83/490471083.db2.gz DZLXKXGQCNLFCK-WNRNVDISSA-N 2 0 364.534 0.689 20 0 FCADRP CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000468965882 490471293 /nfs/dbraw/zinc/47/12/93/490471293.db2.gz MXCVAONZLUJPLY-UHFFFAOYSA-N 2 0 370.563 0.828 20 0 FCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770983 490474597 /nfs/dbraw/zinc/47/45/97/490474597.db2.gz QYTRATFOQSVSFY-RDJZCZTQSA-N 2 0 353.488 0.925 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000564842392 491330320 /nfs/dbraw/zinc/33/03/20/491330320.db2.gz GFJAPKPCSRKDIO-WNRNVDISSA-N 2 0 354.458 0.612 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889605 490491761 /nfs/dbraw/zinc/49/17/61/490491761.db2.gz PWVRGZGSXPPRJE-GJZGRUSLSA-N 2 0 354.495 0.237 20 0 FCADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856157 491331817 /nfs/dbraw/zinc/33/18/17/491331817.db2.gz VZHFUDKWIZBNJJ-FCGDIQPGSA-N 2 0 356.555 0.318 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968252 490507849 /nfs/dbraw/zinc/50/78/49/490507849.db2.gz VYKRBLNMWUJUOE-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422998220 490515116 /nfs/dbraw/zinc/51/51/16/490515116.db2.gz VZGXMLCJBGFPLQ-GDBMZVCRSA-N 2 0 355.504 0.907 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000535760880 490524627 /nfs/dbraw/zinc/52/46/27/490524627.db2.gz DXMQLMMUZQJXOO-INIZCTEOSA-N 2 0 361.490 0.418 20 0 FCADRP COc1cccc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000571859491 491333317 /nfs/dbraw/zinc/33/33/17/491333317.db2.gz KNZCDDFFHKYYPP-UHFFFAOYSA-N 2 0 364.490 0.605 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC000423036713 490526210 /nfs/dbraw/zinc/52/62/10/490526210.db2.gz LJKWNYLQQKKRBQ-SFHVURJKSA-N 2 0 374.485 0.297 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000485392924 490528510 /nfs/dbraw/zinc/52/85/10/490528510.db2.gz XMUPJERVBPVXDM-INIZCTEOSA-N 2 0 367.538 0.912 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000571865478 491333861 /nfs/dbraw/zinc/33/38/61/491333861.db2.gz JZUKLODGZRQODF-CQSZACIVSA-N 2 0 365.444 0.806 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000423055154 490532423 /nfs/dbraw/zinc/53/24/23/490532423.db2.gz CUPZLZWZICICRA-IAGOWNOFSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423063171 490533439 /nfs/dbraw/zinc/53/34/39/490533439.db2.gz VVKZEIBWCABMOG-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000564889494 491334137 /nfs/dbraw/zinc/33/41/37/491334137.db2.gz FIKVDGLINUAYPX-IAGOWNOFSA-N 2 0 374.485 0.817 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)CC2)c1 ZINC000485808854 490559992 /nfs/dbraw/zinc/55/99/92/490559992.db2.gz AXNSGCCCJQJZQX-AWEZNQCLSA-N 2 0 371.445 0.569 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000485806606 490560269 /nfs/dbraw/zinc/56/02/69/490560269.db2.gz QBHWWDUJCVSNPE-CQSZACIVSA-N 2 0 360.506 0.775 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000536711025 490609425 /nfs/dbraw/zinc/60/94/25/490609425.db2.gz VVBUDXWIQCWKRD-UHFFFAOYSA-N 2 0 352.479 0.407 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000549986473 490617694 /nfs/dbraw/zinc/61/76/94/490617694.db2.gz DAHVYNBFXZKXCP-KRWDZBQOSA-N 2 0 362.474 0.625 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122043 490626848 /nfs/dbraw/zinc/62/68/48/490626848.db2.gz ONZRCHKSDZJROY-KDOFPFPSSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635906 490627332 /nfs/dbraw/zinc/62/73/32/490627332.db2.gz GVRXVVFZFNJFMG-IRXDYDNUSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCC[N@@H+]1C ZINC000501636744 490627442 /nfs/dbraw/zinc/62/74/42/490627442.db2.gz HWZZREILXZNROI-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP Cc1nc2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550125320 490628818 /nfs/dbraw/zinc/62/88/18/490628818.db2.gz WNZGODXIRRPBPB-CQSZACIVSA-N 2 0 355.442 0.814 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501645078 490629138 /nfs/dbraw/zinc/62/91/38/490629138.db2.gz YZLZEDZACPHMRR-MRXNPFEDSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000550129543 490630025 /nfs/dbraw/zinc/63/00/25/490630025.db2.gz ITCOBWLHXSYAFR-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638724 490629968 /nfs/dbraw/zinc/62/99/68/490629968.db2.gz LGPKHBQMGHGKBE-KZNAEPCWSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501644245 490630097 /nfs/dbraw/zinc/63/00/97/490630097.db2.gz XDKRJHXAOCIYQG-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501648119 490631611 /nfs/dbraw/zinc/63/16/11/490631611.db2.gz XXWKQPOKLLTIBL-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000486581122 490649201 /nfs/dbraw/zinc/64/92/01/490649201.db2.gz RRRKRXRRIUZNFX-SFHVURJKSA-N 2 0 350.507 0.337 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000572028837 491343717 /nfs/dbraw/zinc/34/37/17/491343717.db2.gz HMTRIOQEIWQUHF-GJZGRUSLSA-N 2 0 353.438 0.742 20 0 FCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCc2ccccc21 ZINC000512249188 490668518 /nfs/dbraw/zinc/66/85/18/490668518.db2.gz LYCIDMVWORXVCH-SFHVURJKSA-N 2 0 374.529 0.944 20 0 FCADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(OC)c1 ZINC000526131769 490677388 /nfs/dbraw/zinc/67/73/88/490677388.db2.gz WNTCKYSAAOTHJI-UHFFFAOYSA-N 2 0 366.462 0.594 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487048835 490689163 /nfs/dbraw/zinc/68/91/63/490689163.db2.gz QPHDVEYUWUURSG-JSRQGNBESA-N 2 0 350.507 0.441 20 0 FCADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487073970 490691379 /nfs/dbraw/zinc/69/13/79/490691379.db2.gz QNTBVSCSAWGDIT-UFYUIRFASA-N 2 0 364.534 0.830 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512809768 490699639 /nfs/dbraw/zinc/69/96/39/490699639.db2.gz VWVNHBVABMRXTB-MSOLQXFVSA-N 2 0 367.538 0.255 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512851741 490701917 /nfs/dbraw/zinc/70/19/17/490701917.db2.gz KTVKDPPKEITGJZ-UHFFFAOYSA-N 2 0 355.527 0.112 20 0 FCADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1(C[NH3+])CCC1 ZINC000565047520 491348271 /nfs/dbraw/zinc/34/82/71/491348271.db2.gz NSJCVGWVOZDBMQ-UHFFFAOYSA-N 2 0 352.523 0.951 20 0 FCADRP C[C@H]1C(=O)N(C)CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000487710156 490727321 /nfs/dbraw/zinc/72/73/21/490727321.db2.gz PUGJXLNVWFDZFK-INIZCTEOSA-N 2 0 374.489 0.466 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478351 490733392 /nfs/dbraw/zinc/73/33/92/490733392.db2.gz XEVMISRSMLQDIE-HZPDHXFCSA-N 2 0 370.538 0.696 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000527768827 490758711 /nfs/dbraw/zinc/75/87/11/490758711.db2.gz SVHDQQGQLVLNQT-MRXNPFEDSA-N 2 0 354.495 0.603 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000527800836 490761154 /nfs/dbraw/zinc/76/11/54/490761154.db2.gz REPZYTFDUPZOMS-UHFFFAOYSA-N 2 0 368.522 0.994 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000514816670 490790434 /nfs/dbraw/zinc/79/04/34/490790434.db2.gz LHOYKRGTUSEQKS-NXNVCVFFSA-N 2 0 350.507 0.917 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132685 491356056 /nfs/dbraw/zinc/35/60/56/491356056.db2.gz CZKVXSVYSWLGST-BFYDXBDKSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000514861881 490793500 /nfs/dbraw/zinc/79/35/00/490793500.db2.gz VKTQZMFMUOTUKE-VBQJREDUSA-N 2 0 362.474 0.111 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000514999367 490801813 /nfs/dbraw/zinc/80/18/13/490801813.db2.gz GFFBTTLITVXHPX-QGZVFWFLSA-N 2 0 365.522 0.668 20 0 FCADRP CN1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154449 491356949 /nfs/dbraw/zinc/35/69/49/491356949.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 2 0 359.518 0.835 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322859 490817404 /nfs/dbraw/zinc/81/74/04/490817404.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 2 0 356.555 0.414 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000557168642 491357872 /nfs/dbraw/zinc/35/78/72/491357872.db2.gz GWXPCCKPSJZVLT-UWJYYQICSA-N 2 0 370.497 0.588 20 0 FCADRP Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000557183069 491358177 /nfs/dbraw/zinc/35/81/77/491358177.db2.gz FFKYFHCKSVTWDS-IAGOWNOFSA-N 2 0 362.474 0.947 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000540696197 490834242 /nfs/dbraw/zinc/83/42/42/490834242.db2.gz KKNMIKWIPAWADV-ROUUACIJSA-N 2 0 373.501 0.715 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529374787 490857356 /nfs/dbraw/zinc/85/73/56/490857356.db2.gz HZWQWAPOVDXGHP-MRXNPFEDSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529379923 490858410 /nfs/dbraw/zinc/85/84/10/490858410.db2.gz LRGRSJOOXWKGHT-ZACQAIPSSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529379922 490858418 /nfs/dbraw/zinc/85/84/18/490858418.db2.gz LRGRSJOOXWKGHT-IXDOHACOSA-N 2 0 353.511 0.175 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000516263433 490858687 /nfs/dbraw/zinc/85/86/87/490858687.db2.gz NMYCJVIXRUPKKJ-RHSMWYFYSA-N 2 0 362.474 0.611 20 0 FCADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541662802 490868543 /nfs/dbraw/zinc/86/85/43/490868543.db2.gz VUMKYZDYIIPDHL-UHFFFAOYSA-N 2 0 360.568 0.617 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516569595 490869061 /nfs/dbraw/zinc/86/90/61/490869061.db2.gz VXSIMRHIQUBHGK-INIZCTEOSA-N 2 0 355.508 0.436 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000516635194 490871826 /nfs/dbraw/zinc/87/18/26/490871826.db2.gz QSSSJVWATUSHSC-CABCVRRESA-N 2 0 368.865 0.164 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660097 490873399 /nfs/dbraw/zinc/87/33/99/490873399.db2.gz KSVYRHAJXLQSSD-ZBFHGGJFSA-N 2 0 373.519 0.527 20 0 FCADRP C[NH+](C)CC1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCC1 ZINC000541839711 490875322 /nfs/dbraw/zinc/87/53/22/490875322.db2.gz UFBRHZGNVABINE-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760113 490876800 /nfs/dbraw/zinc/87/68/00/490876800.db2.gz WAAMYEIKWWKMAJ-AEFFLSMTSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000516786819 490878056 /nfs/dbraw/zinc/87/80/56/490878056.db2.gz GWNLHDQRJPFNHR-BZUAXINKSA-N 2 0 351.495 0.452 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000516882958 490883396 /nfs/dbraw/zinc/88/33/96/490883396.db2.gz JEKWEOPSZSNOQJ-UHFFFAOYSA-N 2 0 367.538 0.914 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000517225267 490899801 /nfs/dbraw/zinc/89/98/01/490899801.db2.gz SJJONWMQXXCMII-CVEARBPZSA-N 2 0 351.495 0.230 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000530429599 490905550 /nfs/dbraw/zinc/90/55/50/490905550.db2.gz JQWVPSCZUGVOAV-HOTGVXAUSA-N 2 0 369.535 0.967 20 0 FCADRP CN1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000517541851 490910944 /nfs/dbraw/zinc/91/09/44/490910944.db2.gz CCJLMUWSTQGDIK-QZTJIDSGSA-N 2 0 373.501 0.041 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000542841917 490911979 /nfs/dbraw/zinc/91/19/79/490911979.db2.gz DCQCYROLLBEHNU-UHFFFAOYSA-N 2 0 374.551 0.142 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000517577855 490913182 /nfs/dbraw/zinc/91/31/82/490913182.db2.gz BKGBIHKCONQSTI-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000517616453 490914498 /nfs/dbraw/zinc/91/44/98/490914498.db2.gz KWYDQNANWWELBI-SJORKVTESA-N 2 0 368.522 0.279 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000517738689 490918497 /nfs/dbraw/zinc/91/84/97/490918497.db2.gz OSLWDPHYBWLRJR-IAGOWNOFSA-N 2 0 363.506 0.563 20 0 FCADRP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000517937109 490925250 /nfs/dbraw/zinc/92/52/50/490925250.db2.gz MJIRFQDBYJALMN-RDJZCZTQSA-N 2 0 366.485 0.086 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000518004464 490928223 /nfs/dbraw/zinc/92/82/23/490928223.db2.gz UUYRJLIMCPBZOH-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000530880864 490929899 /nfs/dbraw/zinc/92/98/99/490929899.db2.gz XNFOIKDIAPQFQW-KRWDZBQOSA-N 2 0 367.538 0.866 20 0 FCADRP C[C@@H](CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380830 490931298 /nfs/dbraw/zinc/93/12/98/490931298.db2.gz RNSJRDAEMKAOBW-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)CN1CC[NH+](C)CC1 ZINC000518366105 490938029 /nfs/dbraw/zinc/93/80/29/490938029.db2.gz STQHNONFBBGVPO-JKSUJKDBSA-N 2 0 374.485 0.117 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000557288879 491365592 /nfs/dbraw/zinc/36/55/92/491365592.db2.gz ROJNKOOMRBUYEC-KBAYOESNSA-N 2 0 358.486 0.820 20 0 FCADRP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295926 491365998 /nfs/dbraw/zinc/36/59/98/491365998.db2.gz VPHWTRIPOABBKM-MHORFTMASA-N 2 0 363.506 0.814 20 0 FCADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)C(F)F ZINC000518777230 490951078 /nfs/dbraw/zinc/95/10/78/490951078.db2.gz WTBWBZBTJMAQHH-GJZGRUSLSA-N 2 0 351.401 0.900 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000572379300 491366263 /nfs/dbraw/zinc/36/62/63/491366263.db2.gz BLKHOQQPYNZNFI-HNNXBMFYSA-N 2 0 370.457 1.442 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000565255354 491366323 /nfs/dbraw/zinc/36/63/23/491366323.db2.gz RRZGZGMFZMQXHO-IAGOWNOFSA-N 2 0 359.474 0.592 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000531484730 490960297 /nfs/dbraw/zinc/96/02/97/490960297.db2.gz JCTSGPSCGJSJKV-KRWDZBQOSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+]1CC[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2(C)C)C1 ZINC000531491532 490960850 /nfs/dbraw/zinc/96/08/50/490960850.db2.gz NSJMVABUMMNFQG-JDPPGYRCSA-N 2 0 364.534 0.925 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000519121146 490961565 /nfs/dbraw/zinc/96/15/65/490961565.db2.gz XAFARQWOWFSCFU-RYRKJORJSA-N 2 0 365.522 0.615 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000519227970 490966345 /nfs/dbraw/zinc/96/63/45/490966345.db2.gz WEZYRBRSGSWBRX-OAGGEKHMSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000519679728 490983642 /nfs/dbraw/zinc/98/36/42/490983642.db2.gz LHLCOSOQTKLDRQ-FHLIZLRMSA-N 2 0 355.429 0.993 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315166 490990820 /nfs/dbraw/zinc/99/08/20/490990820.db2.gz NXRLDAAKOHANBR-PBHICJAKSA-N 2 0 365.522 0.711 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553956604 491166581 /nfs/dbraw/zinc/16/65/81/491166581.db2.gz JVNFDKBZYWBXJM-UHFFFAOYSA-N 2 0 370.538 0.792 20 0 FCADRP COCC1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC000572467252 491371904 /nfs/dbraw/zinc/37/19/04/491371904.db2.gz VQOHIJWNMKVYNH-UHFFFAOYSA-N 2 0 368.522 0.756 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000572509526 491375393 /nfs/dbraw/zinc/37/53/93/491375393.db2.gz NUDCGWQSQCBYRP-JKSUJKDBSA-N 2 0 356.511 0.402 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557554533 491382195 /nfs/dbraw/zinc/38/21/95/491382195.db2.gz MPDKFALJADESOM-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000557768074 491396889 /nfs/dbraw/zinc/39/68/89/491396889.db2.gz DXLBNMUIPSAAJK-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000565764745 491398316 /nfs/dbraw/zinc/39/83/16/491398316.db2.gz PUBCLEJQKZMIER-QGZVFWFLSA-N 2 0 361.490 0.801 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764342 491398348 /nfs/dbraw/zinc/39/83/48/491398348.db2.gz GEJWIGCZUOWMCB-OALUTQOASA-N 2 0 359.518 0.848 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000565812918 491400882 /nfs/dbraw/zinc/40/08/82/491400882.db2.gz AJMLIHHIIHUBOT-UHFFFAOYSA-N 2 0 369.491 0.106 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070844 491410039 /nfs/dbraw/zinc/41/00/39/491410039.db2.gz ASXIDAGRMKGRPI-GXTWGEPZSA-N 2 0 350.467 1.384 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000573075011 491410750 /nfs/dbraw/zinc/41/07/50/491410750.db2.gz SBTMXHNQGGLWPO-SOUVJXGZSA-N 2 0 369.510 0.863 20 0 FCADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccccc2)(N2CCOCC2)CC1 ZINC000566118894 491418784 /nfs/dbraw/zinc/41/87/84/491418784.db2.gz JLQRINLQDOFYQC-GOSISDBHSA-N 2 0 363.502 0.813 20 0 FCADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000573221458 491420327 /nfs/dbraw/zinc/42/03/27/491420327.db2.gz DCEFHOYGWUSCGT-ONIAQPFYSA-N 2 0 373.501 0.940 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000566175446 491423045 /nfs/dbraw/zinc/42/30/45/491423045.db2.gz UTBRTVRUMSMCKN-QGZVFWFLSA-N 2 0 359.474 0.421 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346209 491428078 /nfs/dbraw/zinc/42/80/78/491428078.db2.gz BBKPWGVGOJFJJQ-KBPBESRZSA-N 2 0 365.444 0.948 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)c1 ZINC000566289779 491432915 /nfs/dbraw/zinc/43/29/15/491432915.db2.gz BKMCGADYSLSXGQ-UHFFFAOYSA-N 2 0 370.457 0.714 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000573570212 491441015 /nfs/dbraw/zinc/44/10/15/491441015.db2.gz MLIKIXQHNRTCIA-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000573570210 491441260 /nfs/dbraw/zinc/44/12/60/491441260.db2.gz MLIKIXQHNRTCIA-MSOLQXFVSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000573604066 491443443 /nfs/dbraw/zinc/44/34/43/491443443.db2.gz IWDLNARRWTVLEK-UHFFFAOYSA-N 2 0 352.483 0.590 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000573876175 491460766 /nfs/dbraw/zinc/46/07/66/491460766.db2.gz YAOXEJLNPXCPMG-UHFFFAOYSA-N 2 0 368.522 0.405 20 0 FCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573963563 491466274 /nfs/dbraw/zinc/46/62/74/491466274.db2.gz DCSIAHVPIQPJBO-SQNIBIBYSA-N 2 0 371.485 0.742 20 0 FCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574032711 491470039 /nfs/dbraw/zinc/47/00/39/491470039.db2.gz QOFUOWJMXQHDBE-INDMIFKZSA-N 2 0 368.481 0.397 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439900 491472981 /nfs/dbraw/zinc/47/29/81/491472981.db2.gz HMWJEIHCPRBZML-IRXDYDNUSA-N 2 0 368.522 0.308 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000559442295 491473046 /nfs/dbraw/zinc/47/30/46/491473046.db2.gz SBPGIWCGVRFZLC-JKSUJKDBSA-N 2 0 356.511 0.306 20 0 FCADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000574177290 491479100 /nfs/dbraw/zinc/47/91/00/491479100.db2.gz MMGYOPCLNUPJTM-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000567095553 491485076 /nfs/dbraw/zinc/48/50/76/491485076.db2.gz CWOJPMQINMHDLZ-UHFFFAOYSA-N 2 0 373.501 0.425 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)nnn1C1CC[NH2+]CC1 ZINC000574275896 491485655 /nfs/dbraw/zinc/48/56/55/491485655.db2.gz SZWVFNDHAWVUTC-UHFFFAOYSA-N 2 0 370.461 0.568 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368568 493341431 /nfs/dbraw/zinc/34/14/31/493341431.db2.gz BNLRTJXIJUEMLX-ZWKOTPCHSA-N 2 0 360.502 0.876 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567163903 491489647 /nfs/dbraw/zinc/48/96/47/491489647.db2.gz GOHASUCKTAXXHU-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@@H]2C1 ZINC000567303121 491498180 /nfs/dbraw/zinc/49/81/80/491498180.db2.gz IOHCFKHEPBADDI-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463587 491498867 /nfs/dbraw/zinc/49/88/67/491498867.db2.gz ZHSXNNQNKDHFIF-IAGOWNOFSA-N 2 0 352.523 0.949 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)cn2)CC1 ZINC000567381765 491502815 /nfs/dbraw/zinc/50/28/15/491502815.db2.gz JHWWIMKHGVRKAU-UHFFFAOYSA-N 2 0 370.461 0.602 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868016 491506608 /nfs/dbraw/zinc/50/66/08/491506608.db2.gz WZKJZBFNHIEXDI-MRRJBJDNSA-N 2 0 354.520 0.139 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCN1C ZINC000574598891 491507692 /nfs/dbraw/zinc/50/76/92/491507692.db2.gz DLVLVEXMFXRNGH-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559906966 491509718 /nfs/dbraw/zinc/50/97/18/491509718.db2.gz KAZMPBGAPSOXRL-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496285 491510193 /nfs/dbraw/zinc/51/01/93/491510193.db2.gz VAXMFPCUGPYXJD-JXFKEZNVSA-N 2 0 374.485 0.949 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000574635466 491510247 /nfs/dbraw/zinc/51/02/47/491510247.db2.gz NJAOIOOADCCQEO-GJZGRUSLSA-N 2 0 352.866 0.927 20 0 FCADRP COCC[NH2+]CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000567499270 491510621 /nfs/dbraw/zinc/51/06/21/491510621.db2.gz PQIZVXHESHUVBC-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015483 491514994 /nfs/dbraw/zinc/51/49/94/491514994.db2.gz NMYGKZBVPGQOOX-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000560024575 491516022 /nfs/dbraw/zinc/51/60/22/491516022.db2.gz MUWUWFZTRVRIPD-IRXDYDNUSA-N 2 0 366.506 0.035 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000560024574 491516261 /nfs/dbraw/zinc/51/62/61/491516261.db2.gz MUWUWFZTRVRIPD-IAGOWNOFSA-N 2 0 366.506 0.035 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)no1 ZINC000567682307 491522800 /nfs/dbraw/zinc/52/28/00/491522800.db2.gz NAQOUHRNCWHORM-UHFFFAOYSA-N 2 0 373.457 1.393 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000560298991 491529238 /nfs/dbraw/zinc/52/92/38/491529238.db2.gz BVIIZHDEFXQNNE-UHFFFAOYSA-N 2 0 356.511 0.450 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660404768 493348785 /nfs/dbraw/zinc/34/87/85/493348785.db2.gz OJZNHMATYQBXRZ-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000567893700 491539017 /nfs/dbraw/zinc/53/90/17/491539017.db2.gz MANJBVCOAHUNKY-ZBFHGGJFSA-N 2 0 366.487 0.902 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000575108640 491539801 /nfs/dbraw/zinc/53/98/01/491539801.db2.gz WMLMEFVZGAXTGI-PMPSAXMXSA-N 2 0 351.495 0.323 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567990233 491545555 /nfs/dbraw/zinc/54/55/55/491545555.db2.gz JWUMWVLWPWJPOU-INIZCTEOSA-N 2 0 352.523 0.663 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656023 491550149 /nfs/dbraw/zinc/55/01/49/491550149.db2.gz VTQIOAKPZSUPLW-MRXNPFEDSA-N 2 0 362.449 0.727 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000560793819 491558173 /nfs/dbraw/zinc/55/81/73/491558173.db2.gz QNFGODVCKSHSQI-DLBZAZTESA-N 2 0 367.538 0.119 20 0 FCADRP C[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000575780411 491560696 /nfs/dbraw/zinc/56/06/96/491560696.db2.gz BAUZNNKWSIGNDT-KRWDZBQOSA-N 2 0 373.501 0.724 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+](C)C1 ZINC000568225464 491561378 /nfs/dbraw/zinc/56/13/78/491561378.db2.gz IBNJYCBSYKLQRO-HZPDHXFCSA-N 2 0 369.531 0.767 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000560932618 491565688 /nfs/dbraw/zinc/56/56/88/491565688.db2.gz JRMQAMALXHTISJ-QWFCFKBJSA-N 2 0 369.550 0.891 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000560939942 491566232 /nfs/dbraw/zinc/56/62/32/491566232.db2.gz RIJDLPIMIATJRG-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000575886247 491567743 /nfs/dbraw/zinc/56/77/43/491567743.db2.gz JFQFKQBGTMKGED-WMZOPIPTSA-N 2 0 360.502 0.828 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295694 491567919 /nfs/dbraw/zinc/56/79/19/491567919.db2.gz LUFXNSQDHACJEI-FGTMMUONSA-N 2 0 371.485 0.604 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000568309868 491568905 /nfs/dbraw/zinc/56/89/05/491568905.db2.gz YMIVXJNFEDVXFH-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575918740 491570288 /nfs/dbraw/zinc/57/02/88/491570288.db2.gz IKASXCJQQHKMNS-HNNXBMFYSA-N 2 0 352.479 0.006 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000561012606 491570315 /nfs/dbraw/zinc/57/03/15/491570315.db2.gz LDLSEMUUINOAGW-GASCZTMLSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000568373556 491572099 /nfs/dbraw/zinc/57/20/99/491572099.db2.gz FZMVBOXZEJVIJZ-QKPAOTATSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000575973967 491573491 /nfs/dbraw/zinc/57/34/91/491573491.db2.gz DYUHPUFZNGJDJV-MRXNPFEDSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000668420883 493351624 /nfs/dbraw/zinc/35/16/24/493351624.db2.gz NMELHVWMHKHFDB-OAHLLOKOSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000576106835 491581955 /nfs/dbraw/zinc/58/19/55/491581955.db2.gz PRMMOTHJVLJJGA-ZACQAIPSSA-N 2 0 359.474 0.648 20 0 FCADRP O=C(C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)N1CC[NH2+]CC1 ZINC000584404669 491587269 /nfs/dbraw/zinc/58/72/69/491587269.db2.gz KBYPANBNFXCPGC-UHFFFAOYSA-N 2 0 364.877 0.966 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000561267024 491591086 /nfs/dbraw/zinc/59/10/86/491591086.db2.gz VMQRXNTYOFMHGH-UHFFFAOYSA-N 2 0 352.504 0.754 20 0 FCADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561285515 491594319 /nfs/dbraw/zinc/59/43/19/491594319.db2.gz XXGSHYOXGWWDPC-WBVHZDCISA-N 2 0 359.474 0.380 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000584496529 491597481 /nfs/dbraw/zinc/59/74/81/491597481.db2.gz HSNFNYJXSYUNMH-HZPDHXFCSA-N 2 0 350.507 0.943 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000584496530 491597612 /nfs/dbraw/zinc/59/76/12/491597612.db2.gz HSNFNYJXSYUNMH-JKSUJKDBSA-N 2 0 350.507 0.943 20 0 FCADRP CCCc1csc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000584507607 491598333 /nfs/dbraw/zinc/59/83/33/491598333.db2.gz PJYNWOYEGMSBRV-UHFFFAOYSA-N 2 0 355.508 0.986 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000568667177 491598932 /nfs/dbraw/zinc/59/89/32/491598932.db2.gz SYNXGRQXQWPFTH-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000584524514 491599825 /nfs/dbraw/zinc/59/98/25/491599825.db2.gz JFWGSMXFLJKPBG-PBWTXFEYSA-N 2 0 370.497 0.928 20 0 FCADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661640 493354463 /nfs/dbraw/zinc/35/44/63/493354463.db2.gz JZEJOBOPQPGAKT-AZUAARDMSA-N 2 0 361.486 0.850 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238520 491605796 /nfs/dbraw/zinc/60/57/96/491605796.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 2 0 367.538 0.070 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000561438048 491608315 /nfs/dbraw/zinc/60/83/15/491608315.db2.gz NSSOKIQLWZWMBQ-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CS(=O)(=O)N(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000577270914 491608378 /nfs/dbraw/zinc/60/83/78/491608378.db2.gz QKYQERNVUFGLEY-GOSISDBHSA-N 2 0 366.531 0.428 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000577270229 491608574 /nfs/dbraw/zinc/60/85/74/491608574.db2.gz WXBLDUQHEIXENJ-INIZCTEOSA-N 2 0 358.446 0.863 20 0 FCADRP Cc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)c(OCC[NH+](C)C)c1 ZINC000576371340 491609171 /nfs/dbraw/zinc/60/91/71/491609171.db2.gz KPFJFWNFCFDYPC-UHFFFAOYSA-N 2 0 362.474 0.990 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000568857695 491613995 /nfs/dbraw/zinc/61/39/95/491613995.db2.gz MBNPZZQRODGNHU-HLIPFELVSA-N 2 0 368.566 0.605 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000568857696 491614138 /nfs/dbraw/zinc/61/41/38/491614138.db2.gz MBNPZZQRODGNHU-MBOZVWFJSA-N 2 0 368.566 0.605 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412666 491620708 /nfs/dbraw/zinc/62/07/08/491620708.db2.gz VOUICTIBILAPNW-COFNUEQOSA-N 2 0 361.490 0.093 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000568988882 491624825 /nfs/dbraw/zinc/62/48/25/491624825.db2.gz YFVSWJUHGIJMRZ-CGZBRXJRSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000577488748 491626058 /nfs/dbraw/zinc/62/60/58/491626058.db2.gz DNJTYSBEZYWDMI-JTDSTZFVSA-N 2 0 350.507 0.873 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000577540765 491630766 /nfs/dbraw/zinc/63/07/66/491630766.db2.gz NZBBQDVEHJUOBO-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000569066164 491631086 /nfs/dbraw/zinc/63/10/86/491631086.db2.gz UDMPCVHVDHKMQB-LTCOOKNTSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000576729941 491640271 /nfs/dbraw/zinc/64/02/71/491640271.db2.gz MYLKIZYDBZKTRM-WBVHZDCISA-N 2 0 359.474 0.380 20 0 FCADRP CN1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000569218665 491642457 /nfs/dbraw/zinc/64/24/57/491642457.db2.gz DAMXDESWGMLWBV-QGZVFWFLSA-N 2 0 374.485 0.405 20 0 FCADRP Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1S(=O)(=O)N(C)C ZINC000577708925 491643971 /nfs/dbraw/zinc/64/39/71/491643971.db2.gz JFXVTJRNQDBAQY-AWEZNQCLSA-N 2 0 369.491 0.352 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000561997892 491645352 /nfs/dbraw/zinc/64/53/52/491645352.db2.gz XROVUMXUPSVTTI-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000577717013 491645353 /nfs/dbraw/zinc/64/53/53/491645353.db2.gz WEGXSBKEFQCGHP-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCCC1 ZINC000577726481 491646407 /nfs/dbraw/zinc/64/64/07/491646407.db2.gz HRRDLVKBDVRBJH-UHFFFAOYSA-N 2 0 351.495 0.598 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798401 491653081 /nfs/dbraw/zinc/65/30/81/491653081.db2.gz PCGHDFSDBOKENK-RHSMWYFYSA-N 2 0 366.506 0.155 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000569349930 491654751 /nfs/dbraw/zinc/65/47/51/491654751.db2.gz ATESHRYJIKZXED-LZLYRXPVSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000569409084 491659607 /nfs/dbraw/zinc/65/96/07/491659607.db2.gz MVOFAKBJDZVQQL-KBMXLJTQSA-N 2 0 350.507 0.822 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000576958346 491660198 /nfs/dbraw/zinc/66/01/98/491660198.db2.gz GFDYACWTMKOYCM-QGZVFWFLSA-N 2 0 362.474 0.756 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576959181 491660504 /nfs/dbraw/zinc/66/05/04/491660504.db2.gz XWVBKCCKCLQDIA-OWCLPIDISA-N 2 0 351.495 0.594 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576987031 491662928 /nfs/dbraw/zinc/66/29/28/491662928.db2.gz STJLCKNYAKUFIJ-RTBURBONSA-N 2 0 357.502 0.800 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000577962188 491666060 /nfs/dbraw/zinc/66/60/60/491666060.db2.gz NMEQNBIPISJFRX-ROUUACIJSA-N 2 0 352.523 0.316 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cn2)CC1 ZINC000578050380 491668814 /nfs/dbraw/zinc/66/88/14/491668814.db2.gz BWTYVQONWIHKNA-UHFFFAOYSA-N 2 0 358.490 0.942 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000578122451 491670455 /nfs/dbraw/zinc/67/04/55/491670455.db2.gz NGNHVQLHYICYLD-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578134756 491670770 /nfs/dbraw/zinc/67/07/70/491670770.db2.gz CKKUPVABXDRIQB-AEFFLSMTSA-N 2 0 372.517 0.835 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578339472 491675217 /nfs/dbraw/zinc/67/52/17/491675217.db2.gz HGAJZGFRRKVHST-IAGOWNOFSA-N 2 0 365.522 0.698 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043267 491689814 /nfs/dbraw/zinc/68/98/14/491689814.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 2 0 368.566 0.291 20 0 FCADRP COCCCn1nccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000579109645 491691150 /nfs/dbraw/zinc/69/11/50/491691150.db2.gz WIMJLHZBIHWXLK-AEFFLSMTSA-N 2 0 363.506 1.000 20 0 FCADRP COCCCn1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000579109650 491691202 /nfs/dbraw/zinc/69/12/02/491691202.db2.gz WIMJLHZBIHWXLK-FUHWJXTLSA-N 2 0 363.506 1.000 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000579130155 491691739 /nfs/dbraw/zinc/69/17/39/491691739.db2.gz NJTNERQCIJHYGE-IAGOWNOFSA-N 2 0 359.474 0.244 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCCCC1 ZINC000579394440 491697335 /nfs/dbraw/zinc/69/73/35/491697335.db2.gz NJMUZJLEMOAVSE-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000579571076 491700564 /nfs/dbraw/zinc/70/05/64/491700564.db2.gz WOANYCKYUUVTBM-CQSZACIVSA-N 2 0 351.451 0.394 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000579572918 491700670 /nfs/dbraw/zinc/70/06/70/491700670.db2.gz HGMDXVHIDBJBPR-DLBZAZTESA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000579607391 491701430 /nfs/dbraw/zinc/70/14/30/491701430.db2.gz WEKDRAPBBJCHHV-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000579809281 491705716 /nfs/dbraw/zinc/70/57/16/491705716.db2.gz RPZKZGCDSRCGAX-LTIDMASMSA-N 2 0 374.551 0.346 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000584663026 491709461 /nfs/dbraw/zinc/70/94/61/491709461.db2.gz RIEORMIDRJWXRH-INIZCTEOSA-N 2 0 355.504 0.881 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580118248 491718401 /nfs/dbraw/zinc/71/84/01/491718401.db2.gz AFTQYEBZSVPQID-PVAVHDDUSA-N 2 0 366.506 0.033 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000580311447 491725509 /nfs/dbraw/zinc/72/55/09/491725509.db2.gz KQVLWJJYGCHNLA-GDBMZVCRSA-N 2 0 350.507 0.633 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758594 491731636 /nfs/dbraw/zinc/73/16/36/491731636.db2.gz FTCWHWVFYQIUPS-QGZVFWFLSA-N 2 0 361.490 0.686 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000580530964 491734544 /nfs/dbraw/zinc/73/45/44/491734544.db2.gz JYCUOWBBOCOZOW-QAPCUYQASA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100178 491734840 /nfs/dbraw/zinc/73/48/40/491734840.db2.gz WBPPURCXGMENPL-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587100109 491734888 /nfs/dbraw/zinc/73/48/88/491734888.db2.gz OUUYWZDMRJSAAG-ULQDDVLXSA-N 2 0 365.522 0.855 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000580533515 491734974 /nfs/dbraw/zinc/73/49/74/491734974.db2.gz VDODROFUVLPJDN-IRXDYDNUSA-N 2 0 365.522 0.001 20 0 FCADRP CN1CCN(C(=O)CCn2cc(Br)ccc2=O)[C@@H](C[NH3+])C1 ZINC000580561494 491736242 /nfs/dbraw/zinc/73/62/42/491736242.db2.gz DCVFTFUAGOOJGB-LBPRGKRZSA-N 2 0 357.252 0.102 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NCC[NH+]1CCCCCC1 ZINC000580613197 491738845 /nfs/dbraw/zinc/73/88/45/491738845.db2.gz ZQIDZCXWMKZWJZ-SJORKVTESA-N 2 0 365.522 0.905 20 0 FCADRP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000580667899 491740907 /nfs/dbraw/zinc/74/09/07/491740907.db2.gz UDCBZYCAXDFNLY-OAHLLOKOSA-N 2 0 366.510 0.593 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccsc1 ZINC000580785770 491745996 /nfs/dbraw/zinc/74/59/96/491745996.db2.gz OBXPBCBDIXPRHX-MELADBBJSA-N 2 0 351.476 0.304 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000580861047 491749306 /nfs/dbraw/zinc/74/93/06/491749306.db2.gz RBVNYHJCEGZLEF-BZUAXINKSA-N 2 0 350.507 0.990 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589219131 491757662 /nfs/dbraw/zinc/75/76/62/491757662.db2.gz BRYBOQRYNJHHQT-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000581318310 491768355 /nfs/dbraw/zinc/76/83/55/491768355.db2.gz LKJGILKOBJWTHS-JKSUJKDBSA-N 2 0 364.877 0.533 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000581427854 491772392 /nfs/dbraw/zinc/77/23/92/491772392.db2.gz PVXQGQKVKJISJK-AWEZNQCLSA-N 2 0 357.462 0.977 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000581427855 491772588 /nfs/dbraw/zinc/77/25/88/491772588.db2.gz PVXQGQKVKJISJK-CQSZACIVSA-N 2 0 357.462 0.977 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000581613735 491780060 /nfs/dbraw/zinc/78/00/60/491780060.db2.gz UYLCJCLJGYUNPZ-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000581839541 491787035 /nfs/dbraw/zinc/78/70/35/491787035.db2.gz LSOGUPFFAUHFSY-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585257 493364294 /nfs/dbraw/zinc/36/42/94/493364294.db2.gz PHEFXHWJJNDHDP-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582112116 491798259 /nfs/dbraw/zinc/79/82/59/491798259.db2.gz RQRQZSPQDAYMEU-DLXPNOHRSA-N 2 0 363.506 0.356 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000591285618 491800801 /nfs/dbraw/zinc/80/08/01/491800801.db2.gz HXRGTIYKKCDSKG-UHFFFAOYSA-N 2 0 370.519 0.218 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000591406252 491804899 /nfs/dbraw/zinc/80/48/99/491804899.db2.gz FWEUYOIIOHZKPI-INIZCTEOSA-N 2 0 365.522 0.747 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000591406253 491805114 /nfs/dbraw/zinc/80/51/14/491805114.db2.gz FWEUYOIIOHZKPI-MRXNPFEDSA-N 2 0 365.522 0.747 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668499216 493365075 /nfs/dbraw/zinc/36/50/75/493365075.db2.gz CJDWANCNRYWLSZ-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668501087 493365447 /nfs/dbraw/zinc/36/54/47/493365447.db2.gz IZSDVYMFAVEDDY-NVXWUHKLSA-N 2 0 366.506 0.347 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000582779604 491826356 /nfs/dbraw/zinc/82/63/56/491826356.db2.gz DNJRJBAWFXYZSY-FJIDUMEYSA-N 2 0 356.470 0.492 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)(N2CCOCC2)CC1 ZINC000583074379 491837337 /nfs/dbraw/zinc/83/73/37/491837337.db2.gz MFASDBNFKJNQGN-QGZVFWFLSA-N 2 0 364.465 0.738 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142736 491838888 /nfs/dbraw/zinc/83/88/88/491838888.db2.gz IXHGPKVMRCPRDQ-PKOBYXMFSA-N 2 0 354.458 0.832 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583433637 491844818 /nfs/dbraw/zinc/84/48/18/491844818.db2.gz QRVISEULQJIRLD-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000583494069 491846084 /nfs/dbraw/zinc/84/60/84/491846084.db2.gz IPCBAGRYDUNVSJ-UTKZUKDTSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)ccn2)CC1 ZINC000583640519 491849150 /nfs/dbraw/zinc/84/91/50/491849150.db2.gz NBFMLUGSCUYNDV-LJQANCHMSA-N 2 0 359.474 0.020 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@]3(C1)CCC[N@H+](C)C3)CC[NH2+]CC2 ZINC000583807773 491852351 /nfs/dbraw/zinc/85/23/51/491852351.db2.gz ZPJRUZYIWJNHEG-UZLBHIALSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079034 491858104 /nfs/dbraw/zinc/85/81/04/491858104.db2.gz KYEPDXOWUHIFCU-ANQUJSFKSA-N 2 0 350.507 0.822 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881719 491871001 /nfs/dbraw/zinc/87/10/01/491871001.db2.gz GWKYYCKEALDNJF-BRWVUGGUSA-N 2 0 357.458 0.064 20 0 FCADRP COC(=O)Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC000594968007 491873562 /nfs/dbraw/zinc/87/35/62/491873562.db2.gz CSVBAONGBLUAKD-UHFFFAOYSA-N 2 0 358.446 0.848 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000601313163 491903302 /nfs/dbraw/zinc/90/33/02/491903302.db2.gz POOIOMYHPJMDCT-GOSISDBHSA-N 2 0 362.522 0.685 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595266488 491909260 /nfs/dbraw/zinc/90/92/60/491909260.db2.gz WYSUCGSMPHZBKX-QKPAOTATSA-N 2 0 351.495 0.308 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271358 491909595 /nfs/dbraw/zinc/90/95/95/491909595.db2.gz QTQIAFXXOVLZDZ-YLFCFFPRSA-N 2 0 357.458 0.086 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000612476241 491922883 /nfs/dbraw/zinc/92/28/83/491922883.db2.gz YBTKIEHYIGSVEL-QGZVFWFLSA-N 2 0 362.474 0.448 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000612484418 491924599 /nfs/dbraw/zinc/92/45/99/491924599.db2.gz BONKCGMLONLWEA-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612487489 491925218 /nfs/dbraw/zinc/92/52/18/491925218.db2.gz XIDBKBNAQFNRED-INIZCTEOSA-N 2 0 356.511 0.260 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546004 491931467 /nfs/dbraw/zinc/93/14/67/491931467.db2.gz OFHGNGSZQMRSIP-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000612550962 491932879 /nfs/dbraw/zinc/93/28/79/491932879.db2.gz BSWBAUBXTVGHIE-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612602105 491938324 /nfs/dbraw/zinc/93/83/24/491938324.db2.gz VUDOICBNYNERAY-QGZVFWFLSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612929149 491958927 /nfs/dbraw/zinc/95/89/27/491958927.db2.gz IFEGUXXKPQJLJC-ZNMIVQPWSA-N 2 0 363.510 0.834 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612929141 491958950 /nfs/dbraw/zinc/95/89/50/491958950.db2.gz IFEGUXXKPQJLJC-KKUMJFAQSA-N 2 0 363.510 0.834 20 0 FCADRP CSC1(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC[NH+](C)CC1 ZINC000596605213 491992385 /nfs/dbraw/zinc/99/23/85/491992385.db2.gz RRWKIHXXEYELMT-UHFFFAOYSA-N 2 0 373.567 0.475 20 0 FCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)N(CC(F)F)C(=O)C1([NH+](C)C)CC1 ZINC000614019695 492010167 /nfs/dbraw/zinc/01/01/67/492010167.db2.gz GGBCZFITLJHVFW-LBPRGKRZSA-N 2 0 360.449 0.773 20 0 FCADRP COC(=O)C(C)(C)n1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000597101977 492016045 /nfs/dbraw/zinc/01/60/45/492016045.db2.gz UVZFSMJHJAKMGW-UHFFFAOYSA-N 2 0 368.482 0.748 20 0 FCADRP C[C@@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000614864558 492061396 /nfs/dbraw/zinc/06/13/96/492061396.db2.gz FDEAYPVPUQWQBQ-AWEZNQCLSA-N 2 0 360.458 0.623 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC000615274033 492083731 /nfs/dbraw/zinc/08/37/31/492083731.db2.gz KBSLCRDOYSKDQE-UHFFFAOYSA-N 2 0 364.534 0.727 20 0 FCADRP CC1C[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505123 492092812 /nfs/dbraw/zinc/09/28/12/492092812.db2.gz NSFQQSHJATXNNU-ROUUACIJSA-N 2 0 364.534 0.689 20 0 FCADRP C[NH+](C)CC1CN(C(=O)CCC(C)(C)C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615509761 492092900 /nfs/dbraw/zinc/09/29/00/492092900.db2.gz RQUGHIAYHRQQQH-UHFFFAOYSA-N 2 0 352.523 0.833 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000605954031 492107689 /nfs/dbraw/zinc/10/76/89/492107689.db2.gz ONYBSIRUUJPBME-UHFFFAOYSA-N 2 0 368.570 0.339 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000606539645 492124329 /nfs/dbraw/zinc/12/43/29/492124329.db2.gz WPQXGVGUYZYKRS-UHFFFAOYSA-N 2 0 366.506 0.696 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nnnn1-c1ccccc1 ZINC000607242045 492141613 /nfs/dbraw/zinc/14/16/13/492141613.db2.gz QUPAEAWSZMUQKW-UHFFFAOYSA-N 2 0 360.466 0.297 20 0 FCADRP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CCOCC1 ZINC000607229383 492141700 /nfs/dbraw/zinc/14/17/00/492141700.db2.gz UNTLZQDLXDUNJG-QGZVFWFLSA-N 2 0 357.543 0.478 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000607229441 492141861 /nfs/dbraw/zinc/14/18/61/492141861.db2.gz YQPDPUFOFMIAHZ-IAGOWNOFSA-N 3 0 357.543 0.621 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250021 492148932 /nfs/dbraw/zinc/14/89/32/492148932.db2.gz HWKHQYOEMXAURV-INIZCTEOSA-N 2 0 365.478 0.544 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCCC[NH+]3CCOCC3)C2)CC1 ZINC000609291632 492204603 /nfs/dbraw/zinc/20/46/03/492204603.db2.gz YYNPAUWFQDIWSQ-GOSISDBHSA-N 2 0 367.538 0.520 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659868 492233640 /nfs/dbraw/zinc/23/36/40/492233640.db2.gz GKOJIZLMEJYRQF-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000610262672 492240533 /nfs/dbraw/zinc/24/05/33/492240533.db2.gz JLNCSAUSWVCCFC-UHFFFAOYSA-N 2 0 371.503 0.896 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000610262838 492240709 /nfs/dbraw/zinc/24/07/09/492240709.db2.gz XOZRHONARUNRSU-UHFFFAOYSA-N 2 0 363.505 0.649 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000619326051 492260970 /nfs/dbraw/zinc/26/09/70/492260970.db2.gz GHQVBNAJAHGCFE-QBPKDAKJSA-N 2 0 368.522 0.258 20 0 FCADRP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304605 492285201 /nfs/dbraw/zinc/28/52/01/492285201.db2.gz JFNUUQWHHMMMHS-CABCVRRESA-N 2 0 367.490 0.977 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641828232 492311095 /nfs/dbraw/zinc/31/10/95/492311095.db2.gz UNRYFAUQNANADQ-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP CCN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627475184 492312703 /nfs/dbraw/zinc/31/27/03/492312703.db2.gz HCXAOIGGEUTCPC-QZTJIDSGSA-N 2 0 374.485 0.214 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647567279 492313879 /nfs/dbraw/zinc/31/38/79/492313879.db2.gz POLYMPAFKVQRNJ-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000620535929 492317256 /nfs/dbraw/zinc/31/72/56/492317256.db2.gz VKHMUBOXYPXYTI-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202078 492326326 /nfs/dbraw/zinc/32/63/26/492326326.db2.gz BOTFKYLMKAIYNY-ROUUACIJSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000641995898 492326837 /nfs/dbraw/zinc/32/68/37/492326837.db2.gz ZEWSTLYOTBWXNN-KURKYZTESA-N 2 0 366.554 0.090 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000641995896 492326863 /nfs/dbraw/zinc/32/68/63/492326863.db2.gz ZEWSTLYOTBWXNN-FGTMMUONSA-N 2 0 366.554 0.090 20 0 FCADRP C[C@@H]1[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)N1Cc1ccccc1 ZINC000627507443 492326935 /nfs/dbraw/zinc/32/69/35/492326935.db2.gz SVPCACGSMTURBT-BVIKNXMNSA-N 2 0 358.486 0.974 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000641995897 492327039 /nfs/dbraw/zinc/32/70/39/492327039.db2.gz ZEWSTLYOTBWXNN-KSZLIROESA-N 2 0 366.554 0.090 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000647594851 492330888 /nfs/dbraw/zinc/33/08/88/492330888.db2.gz SIRXSEBHMHCGBF-KBXCAEBGSA-N 2 0 358.486 0.918 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000642076260 492331915 /nfs/dbraw/zinc/33/19/15/492331915.db2.gz SBGBJAPLMLNJIN-RHSMWYFYSA-N 2 0 362.474 0.802 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]1 ZINC000642080282 492331930 /nfs/dbraw/zinc/33/19/30/492331930.db2.gz GRZGQMDJRMDDAM-KGLIPLIRSA-N 2 0 352.504 0.923 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000642096231 492333708 /nfs/dbraw/zinc/33/37/08/492333708.db2.gz UXFITNBNJPNPTM-WBVHZDCISA-N 2 0 362.474 0.672 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000642220565 492342267 /nfs/dbraw/zinc/34/22/67/492342267.db2.gz NMFHBQIGPDDQPY-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236459 492343099 /nfs/dbraw/zinc/34/30/99/492343099.db2.gz WEHXUPWIPJBJIR-OAFZBRQQSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000642236405 492343147 /nfs/dbraw/zinc/34/31/47/492343147.db2.gz KYASBULBGXKTNI-FSZRXZPDSA-N 2 0 354.495 0.188 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccco1 ZINC000642255333 492345848 /nfs/dbraw/zinc/34/58/48/492345848.db2.gz ORQHYGHTZJBMQD-BZUAXINKSA-N 2 0 362.474 0.989 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1F ZINC000642265424 492346506 /nfs/dbraw/zinc/34/65/06/492346506.db2.gz MRYGQZLJEDNHGS-YOEHRIQHSA-N 2 0 362.449 0.714 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000642262561 492346874 /nfs/dbraw/zinc/34/68/74/492346874.db2.gz BFWHTVFCBXIRDX-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1F ZINC000642265423 492347146 /nfs/dbraw/zinc/34/71/46/492347146.db2.gz MRYGQZLJEDNHGS-WMLDXEAASA-N 2 0 362.449 0.714 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000642262601 492347167 /nfs/dbraw/zinc/34/71/67/492347167.db2.gz KABAKNQXPFIGGC-ZOBUZTSGSA-N 2 0 362.474 0.198 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642288133 492348415 /nfs/dbraw/zinc/34/84/15/492348415.db2.gz CDCSBIKISJOVOG-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330392 492351651 /nfs/dbraw/zinc/35/16/51/492351651.db2.gz DDYPIASYIDIATP-QKPAOTATSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642330445 492352137 /nfs/dbraw/zinc/35/21/37/492352137.db2.gz KIEYYADTZMATMP-OWCLPIDISA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382775 492355915 /nfs/dbraw/zinc/35/59/15/492355915.db2.gz RJXBFLRYUNJJAZ-CJNGLKHVSA-N 2 0 350.463 0.658 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105065 492356644 /nfs/dbraw/zinc/35/66/44/492356644.db2.gz KPKLTDKCSJQXFQ-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CCN1CC[NH2+]CC1 ZINC000647835881 492369924 /nfs/dbraw/zinc/36/99/24/492369924.db2.gz STTPSBKEEFLWRH-UHFFFAOYSA-N 2 0 367.881 0.605 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645859 492370095 /nfs/dbraw/zinc/37/00/95/492370095.db2.gz CFPMLRSNHJKKLN-RTBURBONSA-N 2 0 372.513 0.926 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000642685010 492372717 /nfs/dbraw/zinc/37/27/17/492372717.db2.gz HFNIHGVUMBMLPL-KFWWJZLASA-N 2 0 362.474 0.375 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@H]1CCC[NH2+]1 ZINC000647905667 492380612 /nfs/dbraw/zinc/38/06/12/492380612.db2.gz LLPAOFIXBGDPKV-ZJPYXAASSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000642733850 492382781 /nfs/dbraw/zinc/38/27/81/492382781.db2.gz VAVQVBDODNHUEB-CGTJXYLNSA-N 2 0 374.485 0.514 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732656 492383191 /nfs/dbraw/zinc/38/31/91/492383191.db2.gz HZRGEPVIIIZOEF-QKPAOTATSA-N 2 0 354.495 0.045 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642732904 492383201 /nfs/dbraw/zinc/38/32/01/492383201.db2.gz AGQIQCQLEJYRHM-MSOLQXFVSA-N 2 0 374.485 0.434 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975909 492389617 /nfs/dbraw/zinc/38/96/17/492389617.db2.gz HNFKQVNCVBWULR-CGTJXYLNSA-N 2 0 350.507 0.777 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975910 492389629 /nfs/dbraw/zinc/38/96/29/492389629.db2.gz HNFKQVNCVBWULR-JQHSSLGASA-N 2 0 350.507 0.777 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647978420 492390694 /nfs/dbraw/zinc/39/06/94/492390694.db2.gz ROOOSUHJWLVWQC-FGTMMUONSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000647988389 492391215 /nfs/dbraw/zinc/39/12/15/492391215.db2.gz CUFNLPRVMCPNRL-CYBMUJFWSA-N 2 0 354.476 0.149 20 0 FCADRP Cc1cc(N2CCC[C@H](N3CC[NH+](CC4CC[NH2+]CC4)CC3)C2=O)n(C)n1 ZINC000647991259 492391370 /nfs/dbraw/zinc/39/13/70/492391370.db2.gz RLSMTSVDVCYEPK-SFHVURJKSA-N 2 0 374.533 0.841 20 0 FCADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000642793284 492393501 /nfs/dbraw/zinc/39/35/01/492393501.db2.gz LRNVXINPLBQURA-OAHLLOKOSA-N 2 0 368.547 0.723 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642798886 492394785 /nfs/dbraw/zinc/39/47/85/492394785.db2.gz HSYPAGYBKXROSQ-ATLSCFEFSA-N 2 0 374.485 0.340 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642893339 492397380 /nfs/dbraw/zinc/39/73/80/492397380.db2.gz HUKOEJGCXXRYTM-GOSISDBHSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896484 492398487 /nfs/dbraw/zinc/39/84/87/492398487.db2.gz POTJQTFNWVXXJL-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000642901793 492398784 /nfs/dbraw/zinc/39/87/84/492398784.db2.gz DUGLSVCGCBOTHT-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000642901792 492399088 /nfs/dbraw/zinc/39/90/88/492399088.db2.gz DUGLSVCGCBOTHT-HZPDHXFCSA-N 2 0 350.438 0.803 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000621642620 492399123 /nfs/dbraw/zinc/39/91/23/492399123.db2.gz RJMSTZRDYWXWRE-ULQDDVLXSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642915501 492403034 /nfs/dbraw/zinc/40/30/34/492403034.db2.gz NQADVTWZSOJDAS-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979761 492409305 /nfs/dbraw/zinc/40/93/05/492409305.db2.gz KGXZEHQSXGXOQM-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973141 492409457 /nfs/dbraw/zinc/40/94/57/492409457.db2.gz KDVBZUFAZXQTRY-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982001 492410605 /nfs/dbraw/zinc/41/06/05/492410605.db2.gz NFASKZQFSFJIOY-QGZVFWFLSA-N 2 0 364.465 0.974 20 0 FCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000648177848 492412578 /nfs/dbraw/zinc/41/25/78/492412578.db2.gz XTSIQOPPFAKPHR-IAGOWNOFSA-N 2 0 361.490 0.707 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[C@H]1c1ccc(F)cc1 ZINC000648178987 492413112 /nfs/dbraw/zinc/41/31/12/492413112.db2.gz HTFHYHDKMPDACO-HRCADAONSA-N 2 0 358.421 0.909 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643007698 492413771 /nfs/dbraw/zinc/41/37/71/492413771.db2.gz XSLLWAZJXNNZGS-KZNAEPCWSA-N 2 0 358.486 0.963 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])nn1 ZINC000648199276 492414042 /nfs/dbraw/zinc/41/40/42/492414042.db2.gz SFNWDEMMLDRRKB-RYQLBKOJSA-N 2 0 370.457 0.065 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627982747 492434347 /nfs/dbraw/zinc/43/43/47/492434347.db2.gz YNGWBDVSFXNRQD-QGZVFWFLSA-N 2 0 362.474 0.650 20 0 FCADRP C[NH+](C)CC1(C(=O)NC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC1 ZINC000635463814 492452915 /nfs/dbraw/zinc/45/29/15/492452915.db2.gz UOLGHILEIAIVAV-HNNXBMFYSA-N 2 0 350.507 0.681 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000643419289 492454036 /nfs/dbraw/zinc/45/40/36/492454036.db2.gz HQOBHRJDUVRURX-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000635483718 492457286 /nfs/dbraw/zinc/45/72/86/492457286.db2.gz BSCSGNUTGKSTDH-HNNXBMFYSA-N 2 0 354.495 0.048 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000648819969 492461059 /nfs/dbraw/zinc/46/10/59/492461059.db2.gz JRXBPWQLZCLSNE-QBPKDAKJSA-N 2 0 352.523 0.974 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528232 492464023 /nfs/dbraw/zinc/46/40/23/492464023.db2.gz PMLAGRUEALWXEO-FUHWJXTLSA-N 2 0 369.473 0.968 20 0 FCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643453479 492466793 /nfs/dbraw/zinc/46/67/93/492466793.db2.gz FAAFPNOAQZQWGA-RDJZCZTQSA-N 2 0 354.520 0.112 20 0 FCADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](O)C3)ccc21 ZINC000628106125 492468143 /nfs/dbraw/zinc/46/81/43/492468143.db2.gz XULKCJAGJLMQRN-RDJZCZTQSA-N 2 0 360.458 0.357 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635547612 492468603 /nfs/dbraw/zinc/46/86/03/492468603.db2.gz HXIOFFBCVGUZEI-OAHLLOKOSA-N 2 0 374.489 0.279 20 0 FCADRP O=C(N1CCC([NH+]2CCOCC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628125897 492471878 /nfs/dbraw/zinc/47/18/78/492471878.db2.gz SNVZUTWGURRLHQ-OAQYLSRUSA-N 2 0 373.497 0.947 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000643483144 492477375 /nfs/dbraw/zinc/47/73/75/492477375.db2.gz LMJKOLNUUYDJNK-ZBFHGGJFSA-N 2 0 352.479 0.038 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643483576 492478389 /nfs/dbraw/zinc/47/83/89/492478389.db2.gz VEAOLHVDFRZVTC-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643486971 492479242 /nfs/dbraw/zinc/47/92/42/492479242.db2.gz NJHZJUDEXRHHGA-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643489776 492479962 /nfs/dbraw/zinc/47/99/62/492479962.db2.gz LDEYEXAXCFJALZ-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000643494596 492481317 /nfs/dbraw/zinc/48/13/17/492481317.db2.gz HRHZSGRGVSAYTH-JYJNAYRXSA-N 2 0 352.479 0.038 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)o1 ZINC000643494312 492481484 /nfs/dbraw/zinc/48/14/84/492481484.db2.gz QHFYMPOZKZUUSF-DOTOQJQBSA-N 2 0 362.474 0.689 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000643498740 492483129 /nfs/dbraw/zinc/48/31/29/492483129.db2.gz MTJJRZSMCIDZRD-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000643503516 492483801 /nfs/dbraw/zinc/48/38/01/492483801.db2.gz LNUYVVJIFPJITO-ZBFHGGJFSA-N 2 0 352.479 0.038 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000643511218 492485275 /nfs/dbraw/zinc/48/52/75/492485275.db2.gz SNACTVPLZIVBFI-JKSUJKDBSA-N 2 0 356.511 0.389 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643511191 492485765 /nfs/dbraw/zinc/48/57/65/492485765.db2.gz OSAJEVNOEFEQKK-IRXDYDNUSA-N 2 0 368.522 0.261 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643524409 492489843 /nfs/dbraw/zinc/48/98/43/492489843.db2.gz WJQCYCKAZYXXSK-ZBFHGGJFSA-N 2 0 364.515 0.849 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643531925 492492294 /nfs/dbraw/zinc/49/22/94/492492294.db2.gz WYUWGYRYSXGOBH-OTWHNJEPSA-N 2 0 370.497 0.930 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000643539752 492493646 /nfs/dbraw/zinc/49/36/46/492493646.db2.gz BYWNOFAYADEUDD-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[C@@H]2C1 ZINC000643550005 492497862 /nfs/dbraw/zinc/49/78/62/492497862.db2.gz QOCYEYDYTVLERY-ZJPYXAASSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549861 492498089 /nfs/dbraw/zinc/49/80/89/492498089.db2.gz WWCSBHYTVAZUOU-ABFRBSLYSA-N 2 0 364.490 0.036 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000643581009 492499504 /nfs/dbraw/zinc/49/95/04/492499504.db2.gz QOCKAOOLMWMMGS-HZPDHXFCSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594271 492503564 /nfs/dbraw/zinc/50/35/64/492503564.db2.gz XLUWQXLQONKZFC-TVFCKZIOSA-N 2 0 362.518 0.920 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643594551 492503640 /nfs/dbraw/zinc/50/36/40/492503640.db2.gz PLMWLNKAWYCPLC-HOTGVXAUSA-N 2 0 350.507 0.776 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643594550 492503755 /nfs/dbraw/zinc/50/37/55/492503755.db2.gz PLMWLNKAWYCPLC-CVEARBPZSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000649340334 492538611 /nfs/dbraw/zinc/53/86/11/492538611.db2.gz RDVSJRNNUFQERW-UHFFFAOYSA-N 2 0 372.473 0.575 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347305 492542976 /nfs/dbraw/zinc/54/29/76/492542976.db2.gz PIYXTYDHFGYBDS-LSDHHAIUSA-N 2 0 370.457 1.000 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)c2)CC1 ZINC000649351845 492544224 /nfs/dbraw/zinc/54/42/24/492544224.db2.gz YDDSUYATGSWRHL-QGZVFWFLSA-N 2 0 369.473 0.812 20 0 FCADRP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000649473995 492557090 /nfs/dbraw/zinc/55/70/90/492557090.db2.gz ZUBKQEIXJHFCJQ-BBWFWOEESA-N 2 0 368.522 0.329 20 0 FCADRP O=C(CNC1CC[NH+]([C@@H]2CCOC2)CC1)NCC[NH+]1CCCCCC1 ZINC000656259576 492566326 /nfs/dbraw/zinc/56/63/26/492566326.db2.gz ANCLBFTXIQLJLC-GOSISDBHSA-N 2 0 352.523 0.822 20 0 FCADRP C[N@@H+]1CCCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571910 492568695 /nfs/dbraw/zinc/56/86/95/492568695.db2.gz LMABFHBKMQVEPY-JKSUJKDBSA-N 2 0 353.511 0.605 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656301130 492578719 /nfs/dbraw/zinc/57/87/19/492578719.db2.gz HVDMFLSMHMDBOW-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000636522786 492608871 /nfs/dbraw/zinc/60/88/71/492608871.db2.gz NGMFGSKOJZKQJM-IRXDYDNUSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656355408 492610299 /nfs/dbraw/zinc/61/02/99/492610299.db2.gz KSSCCSLICIZEHL-QZWWFDLISA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357858 492611973 /nfs/dbraw/zinc/61/19/73/492611973.db2.gz HHYYHMDMDJZIJY-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357577 492612151 /nfs/dbraw/zinc/61/21/51/492612151.db2.gz ZMLLTTGCJXWWCG-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624228640 492629086 /nfs/dbraw/zinc/62/90/86/492629086.db2.gz XWLNHMUXFLBTDQ-RHSMWYFYSA-N 2 0 353.488 0.944 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636587933 492630744 /nfs/dbraw/zinc/63/07/44/492630744.db2.gz PQWWXTDOZULIDQ-OAHLLOKOSA-N 2 0 356.536 0.714 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636632967 492645100 /nfs/dbraw/zinc/64/51/00/492645100.db2.gz HQNQYYNCDZLFCI-JYJNAYRXSA-N 2 0 353.511 0.746 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668686 492654919 /nfs/dbraw/zinc/65/49/19/492654919.db2.gz PLZSUIBKSAORCY-RDJZCZTQSA-N 2 0 369.469 0.921 20 0 FCADRP CCC1(N2CCOCC2)CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000629661747 492662512 /nfs/dbraw/zinc/66/25/12/492662512.db2.gz CGINLLVTDOOMAS-KRWDZBQOSA-N 2 0 352.523 0.761 20 0 FCADRP CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000636727767 492673245 /nfs/dbraw/zinc/67/32/45/492673245.db2.gz SUSDYTKSXGKKAV-LJQANCHMSA-N 2 0 368.522 0.633 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629798966 492677649 /nfs/dbraw/zinc/67/76/49/492677649.db2.gz CNIIKTHQMDUZTO-CHWSQXEVSA-N 2 0 366.428 0.772 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629801993 492680021 /nfs/dbraw/zinc/68/00/21/492680021.db2.gz QKRRZGZRWUHIKE-STQMWFEESA-N 2 0 366.428 0.771 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000629815653 492686216 /nfs/dbraw/zinc/68/62/16/492686216.db2.gz RINSWYYILISMEG-IAGOWNOFSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629815304 492686277 /nfs/dbraw/zinc/68/62/77/492686277.db2.gz NSDWAUAITPZSDH-JQHSSLGASA-N 2 0 362.518 0.918 20 0 FCADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629959002 492708672 /nfs/dbraw/zinc/70/86/72/492708672.db2.gz ZGQCQFDUNUITQI-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000651261389 492729903 /nfs/dbraw/zinc/72/99/03/492729903.db2.gz CTUICLCMUQMLLA-KURKYZTESA-N 2 0 353.507 0.960 20 0 FCADRP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000630796081 492775907 /nfs/dbraw/zinc/77/59/07/492775907.db2.gz LDQXATYRVHOFIR-BRSBDYLESA-N 2 0 364.534 0.929 20 0 FCADRP COCCn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000630865667 492780040 /nfs/dbraw/zinc/78/00/40/492780040.db2.gz GUJQRJFUSONWDC-UHFFFAOYSA-N 2 0 372.473 0.867 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000644648634 492796201 /nfs/dbraw/zinc/79/62/01/492796201.db2.gz UKSRJSMNEFWVCQ-NUJGCVRESA-N 2 0 366.506 0.582 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631275465 492808200 /nfs/dbraw/zinc/80/82/00/492808200.db2.gz FGRYDGGCVRFUSY-INIZCTEOSA-N 2 0 350.511 0.448 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631283167 492809136 /nfs/dbraw/zinc/80/91/36/492809136.db2.gz AUQNLYDENNXUDT-UHFFFAOYSA-N 2 0 350.511 0.448 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375593 492814770 /nfs/dbraw/zinc/81/47/70/492814770.db2.gz NRQQHTXAESPBIK-INIZCTEOSA-N 2 0 353.511 0.844 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000637376195 492816028 /nfs/dbraw/zinc/81/60/28/492816028.db2.gz FGQXNZOGMYQICV-SJORKVTESA-N 2 0 365.522 0.986 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637377042 492816221 /nfs/dbraw/zinc/81/62/21/492816221.db2.gz UCBQSQUOEAIYIO-SJORKVTESA-N 2 0 365.522 0.700 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377217 492816428 /nfs/dbraw/zinc/81/64/28/492816428.db2.gz XDVKFOBZXKECTQ-CVEARBPZSA-N 2 0 353.511 0.842 20 0 FCADRP O=C(CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000644895088 492820853 /nfs/dbraw/zinc/82/08/53/492820853.db2.gz HLKUBKLHDSZNEF-QGZVFWFLSA-N 2 0 365.522 0.762 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631677429 492834027 /nfs/dbraw/zinc/83/40/27/492834027.db2.gz ZTKIUURCHUTHFJ-KRWDZBQOSA-N 2 0 360.568 0.808 20 0 FCADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000631742968 492846294 /nfs/dbraw/zinc/84/62/94/492846294.db2.gz JQNLXFMQPULYAP-SJORKVTESA-N 2 0 360.568 0.806 20 0 FCADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000631742965 492846514 /nfs/dbraw/zinc/84/65/14/492846514.db2.gz JQNLXFMQPULYAP-DLBZAZTESA-N 2 0 360.568 0.806 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000658261320 492856863 /nfs/dbraw/zinc/85/68/63/492856863.db2.gz LABUNCVACIQXPU-CYBMUJFWSA-N 2 0 350.467 0.372 20 0 FCADRP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830214 492858800 /nfs/dbraw/zinc/85/88/00/492858800.db2.gz MMHNHONSLNUFTE-CABCVRRESA-N 2 0 356.478 0.778 20 0 FCADRP O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000631853758 492863650 /nfs/dbraw/zinc/86/36/50/492863650.db2.gz FYLOQQWUFVGCGE-CALCHBBNSA-N 2 0 350.507 0.574 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645126073 492870430 /nfs/dbraw/zinc/87/04/30/492870430.db2.gz BOERXWDRRITNOR-KRWDZBQOSA-N 2 0 368.522 0.849 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000645183659 492876066 /nfs/dbraw/zinc/87/60/66/492876066.db2.gz LRXXHOWMKDSKNZ-ZIAGYGMSSA-N 2 0 350.488 0.869 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000631913356 492879302 /nfs/dbraw/zinc/87/93/02/492879302.db2.gz JIMAIARTVAASLQ-UHFFFAOYSA-N 2 0 370.519 0.645 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278350 492888123 /nfs/dbraw/zinc/88/81/23/492888123.db2.gz DTDCHMZIVBDKGW-MRXNPFEDSA-N 2 0 354.495 0.603 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000631935877 492891361 /nfs/dbraw/zinc/89/13/61/492891361.db2.gz OHGVAXJADMKWKB-INIZCTEOSA-N 2 0 356.467 0.701 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000631944949 492895182 /nfs/dbraw/zinc/89/51/82/492895182.db2.gz LDJZXKJZNQUERG-UHFFFAOYSA-N 2 0 368.547 0.851 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652218574 492895382 /nfs/dbraw/zinc/89/53/82/492895382.db2.gz QMBHQXXFTRHCSU-CYBMUJFWSA-N 2 0 351.417 0.511 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000638084169 492902727 /nfs/dbraw/zinc/90/27/27/492902727.db2.gz DBHMHQSPIBELKQ-APWZRJJASA-N 2 0 362.474 0.361 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652268680 492902785 /nfs/dbraw/zinc/90/27/85/492902785.db2.gz HUNQBANEUJJUGR-OAHLLOKOSA-N 2 0 365.453 0.814 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NCCC2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000652324062 492910290 /nfs/dbraw/zinc/91/02/90/492910290.db2.gz UXEWXGPODSDLDD-IRXDYDNUSA-N 2 0 365.522 0.666 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000638123193 492910702 /nfs/dbraw/zinc/91/07/02/492910702.db2.gz PPQLALADRUACFT-SFHVURJKSA-N 2 0 373.501 0.697 20 0 FCADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638120518 492911194 /nfs/dbraw/zinc/91/11/94/492911194.db2.gz FGOCUPVBSXNEGK-UHFFFAOYSA-N 2 0 374.489 0.746 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000638132725 492913841 /nfs/dbraw/zinc/91/38/41/492913841.db2.gz SFKVTTVPXBDFQF-BEFAXECRSA-N 2 0 368.522 0.496 20 0 FCADRP O=C(CN1CC[NH2+]CC1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638137548 492915792 /nfs/dbraw/zinc/91/57/92/492915792.db2.gz LAHMQEDPHPBGAO-UHFFFAOYSA-N 2 0 359.518 0.610 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138228 492916837 /nfs/dbraw/zinc/91/68/37/492916837.db2.gz YHLXEPCNBSQRSC-VQIMIIECSA-N 2 0 362.518 0.955 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140134 492916997 /nfs/dbraw/zinc/91/69/97/492916997.db2.gz VNSKBBHOKVLLKT-HKUYNNGSSA-N 2 0 360.502 0.803 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000638221089 492923868 /nfs/dbraw/zinc/92/38/68/492923868.db2.gz VOYWPLKPOPRDNT-LSDHHAIUSA-N 2 0 374.407 0.517 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632129302 492936086 /nfs/dbraw/zinc/93/60/86/492936086.db2.gz HJRKDDIRWFJMBB-IXDOHACOSA-N 2 0 359.536 0.986 20 0 FCADRP C[C@H](CCNS(=O)(=O)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000632204005 492950253 /nfs/dbraw/zinc/95/02/53/492950253.db2.gz CCSQGOHZVBCYRF-QGZVFWFLSA-N 2 0 360.568 0.808 20 0 FCADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486056 492955521 /nfs/dbraw/zinc/95/55/21/492955521.db2.gz OUCLDIKVPBMGKA-UHFFFAOYSA-N 2 0 357.458 0.115 20 0 FCADRP CCC(CC)[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000632253923 492957603 /nfs/dbraw/zinc/95/76/03/492957603.db2.gz GBNKRPCDNUEQMG-KRWDZBQOSA-N 2 0 362.584 0.910 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000632282702 492964223 /nfs/dbraw/zinc/96/42/23/492964223.db2.gz IOMPMFPOTUFFAJ-UHFFFAOYSA-N 2 0 358.552 0.418 20 0 FCADRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000645774921 492974236 /nfs/dbraw/zinc/97/42/36/492974236.db2.gz ZGLHJKJNZBSYDL-INIZCTEOSA-N 2 0 359.536 0.845 20 0 FCADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632336831 492976383 /nfs/dbraw/zinc/97/63/83/492976383.db2.gz PJULTDGFCVLCCK-DLBZAZTESA-N 2 0 358.552 0.512 20 0 FCADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632336833 492976817 /nfs/dbraw/zinc/97/68/17/492976817.db2.gz PJULTDGFCVLCCK-IRXDYDNUSA-N 2 0 358.552 0.512 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638804856 492980679 /nfs/dbraw/zinc/98/06/79/492980679.db2.gz YEWVTDWWYHXSSY-MSOLQXFVSA-N 2 0 358.486 0.883 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1=O ZINC000638855926 492982755 /nfs/dbraw/zinc/98/27/55/492982755.db2.gz IRCKCXBHBGVILH-IUODEOHRSA-N 2 0 362.396 0.340 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673253 492984729 /nfs/dbraw/zinc/98/47/29/492984729.db2.gz ITFIYNVKAPEIHK-OAGGEKHMSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000632371089 492985779 /nfs/dbraw/zinc/98/57/79/492985779.db2.gz UNSDBKCNVALAIY-KRWDZBQOSA-N 2 0 358.552 0.371 20 0 FCADRP C[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638905397 492985886 /nfs/dbraw/zinc/98/58/86/492985886.db2.gz OLHWJCBTKGNXSI-KBXCAEBGSA-N 2 0 354.458 0.957 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)C1 ZINC000652677316 492986787 /nfs/dbraw/zinc/98/67/87/492986787.db2.gz XRPQTSHSPZDFDY-HWMZRRJGSA-N 2 0 364.490 0.084 20 0 FCADRP [NH3+]Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000645932243 492989357 /nfs/dbraw/zinc/98/93/57/492989357.db2.gz ADUAVFVMGBHWTG-UHFFFAOYSA-N 2 0 358.446 0.861 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684573 492989811 /nfs/dbraw/zinc/98/98/11/492989811.db2.gz ROWUBUHKKYARPG-MWDXBVQZSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1(n2cccn2)CC[NH2+]CC1 ZINC000638984917 492990366 /nfs/dbraw/zinc/99/03/66/492990366.db2.gz VBVCPDIUKDDCEH-UHFFFAOYSA-N 3 0 355.446 0.405 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)[N@H+](C)C1CC1 ZINC000652686264 492990717 /nfs/dbraw/zinc/99/07/17/492990717.db2.gz CNNULBDTUBYOBB-WBTNSWJXSA-N 2 0 366.506 0.330 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000652708517 492996383 /nfs/dbraw/zinc/99/63/83/492996383.db2.gz VUPDZQIOJUMASD-KRWDZBQOSA-N 2 0 368.522 0.724 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000646007247 493000570 /nfs/dbraw/zinc/00/05/70/493000570.db2.gz OWNUOPZUGAQBRC-JCYILVPMSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646009640 493000774 /nfs/dbraw/zinc/00/07/74/493000774.db2.gz YXZYSDHFSVKTOT-HXUWFJFHSA-N 2 0 372.513 0.511 20 0 FCADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000639261041 493003671 /nfs/dbraw/zinc/00/36/71/493003671.db2.gz KFOHHNUXNZYITL-DLBZAZTESA-N 2 0 352.523 0.820 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652724871 493004275 /nfs/dbraw/zinc/00/42/75/493004275.db2.gz OTQSJDQQKGIFAB-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000652737325 493013214 /nfs/dbraw/zinc/01/32/14/493013214.db2.gz GOKWDQCGIIRHNQ-INIZCTEOSA-N 2 0 366.506 0.145 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681724 493031422 /nfs/dbraw/zinc/03/14/22/493031422.db2.gz CZMMOGSUQZAECL-OAHLLOKOSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681723 493031535 /nfs/dbraw/zinc/03/15/35/493031535.db2.gz CZMMOGSUQZAECL-HNNXBMFYSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cc2)C1 ZINC000626880092 493045807 /nfs/dbraw/zinc/04/58/07/493045807.db2.gz ZUMKWKRKKQLXNP-QAPCUYQASA-N 2 0 374.485 0.962 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000626880541 493046618 /nfs/dbraw/zinc/04/66/18/493046618.db2.gz CDGUWZLPMANDMB-QGZVFWFLSA-N 2 0 360.458 0.368 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850575 493055906 /nfs/dbraw/zinc/05/59/06/493055906.db2.gz VZOBPCIXJODNAY-LWYYNNOASA-N 2 0 364.486 0.322 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000626967781 493071186 /nfs/dbraw/zinc/07/11/86/493071186.db2.gz IOGXRXXAOHUCPY-ZWKOTPCHSA-N 2 0 361.490 0.263 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626971969 493071993 /nfs/dbraw/zinc/07/19/93/493071993.db2.gz CUNBMSXETSKIQY-RDBSUJKOSA-N 2 0 365.444 0.791 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627187833 493104346 /nfs/dbraw/zinc/10/43/46/493104346.db2.gz ZUUDQXRDAJSWBD-QGZVFWFLSA-N 2 0 356.511 0.755 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627187832 493104543 /nfs/dbraw/zinc/10/45/43/493104543.db2.gz ZUUDQXRDAJSWBD-KRWDZBQOSA-N 2 0 356.511 0.755 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633028190 493104961 /nfs/dbraw/zinc/10/49/61/493104961.db2.gz RKLTZCPOFBGADZ-IRXDYDNUSA-N 2 0 374.510 0.789 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000633039568 493109029 /nfs/dbraw/zinc/10/90/29/493109029.db2.gz LNYBEDBNOLBAQK-GJZGRUSLSA-N 2 0 359.474 0.715 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259099 493120829 /nfs/dbraw/zinc/12/08/29/493120829.db2.gz MZCGTTNWSHNCGR-SJORKVTESA-N 2 0 351.491 0.689 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633150498 493136553 /nfs/dbraw/zinc/13/65/53/493136553.db2.gz YTQFPXRSLYRYPV-DOTOQJQBSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149923 493136619 /nfs/dbraw/zinc/13/66/19/493136619.db2.gz XOEGJBDZYMQSAI-BGTYHANMSA-N 2 0 356.470 0.525 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149926 493136905 /nfs/dbraw/zinc/13/69/05/493136905.db2.gz XOEGJBDZYMQSAI-OWLYRPNTSA-N 2 0 356.470 0.525 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000640868213 493141145 /nfs/dbraw/zinc/14/11/45/493141145.db2.gz ZXMOSCMJDPRXJD-ZACQAIPSSA-N 2 0 362.474 0.740 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627303122 493142063 /nfs/dbraw/zinc/14/20/63/493142063.db2.gz HYHBEAWIHRVILG-ROUUACIJSA-N 2 0 374.485 0.119 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647000808 493143975 /nfs/dbraw/zinc/14/39/75/493143975.db2.gz UFPNGMOOOLNZAS-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627311809 493145993 /nfs/dbraw/zinc/14/59/93/493145993.db2.gz IDRZWWWHFHTOLO-GASCZTMLSA-N 2 0 356.511 0.293 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647025685 493148167 /nfs/dbraw/zinc/14/81/67/493148167.db2.gz DZFNITJVPLRAJC-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627318783 493150030 /nfs/dbraw/zinc/15/00/30/493150030.db2.gz AGLBDWDIYBLTRP-CMPLNLGQSA-N 2 0 350.385 0.183 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000627331992 493157025 /nfs/dbraw/zinc/15/70/25/493157025.db2.gz NVOSBHLCTCYSRU-ROUUACIJSA-N 2 0 374.485 0.353 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000659110850 493158413 /nfs/dbraw/zinc/15/84/13/493158413.db2.gz DJXULMZDLQRMMD-CQSZACIVSA-N 2 0 364.515 0.941 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091850 493162627 /nfs/dbraw/zinc/16/26/27/493162627.db2.gz QUKDIIDFQWCOBO-BRWVUGGUSA-N 2 0 363.506 0.608 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627343031 493163475 /nfs/dbraw/zinc/16/34/75/493163475.db2.gz WWNKELNPVTVDMZ-NJAFHUGGSA-N 2 0 374.485 0.118 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647103745 493164768 /nfs/dbraw/zinc/16/47/68/493164768.db2.gz WZTOEDMONFQESH-GASCZTMLSA-N 2 0 356.511 0.401 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccs1 ZINC000659425154 493172362 /nfs/dbraw/zinc/17/23/62/493172362.db2.gz IRMFHFMHZVQGOY-NSHDSACASA-N 2 0 350.448 0.805 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000627357759 493174116 /nfs/dbraw/zinc/17/41/16/493174116.db2.gz PIZUGFCPCJPHIO-ZWKOTPCHSA-N 2 0 374.485 0.434 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(F)c1 ZINC000659426744 493174747 /nfs/dbraw/zinc/17/47/47/493174747.db2.gz CDDNQXWFSXYDLS-CQSZACIVSA-N 2 0 362.409 0.882 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641163443 493175412 /nfs/dbraw/zinc/17/54/12/493175412.db2.gz KSCNHTAGFIBCGK-UHFFFAOYSA-N 2 0 373.501 0.985 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659443276 493180031 /nfs/dbraw/zinc/18/00/31/493180031.db2.gz YYVZTGKVYCPVMW-FRRDWIJNSA-N 2 0 350.467 0.807 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641215129 493182328 /nfs/dbraw/zinc/18/23/28/493182328.db2.gz NVMWTCXQKKHBMQ-LJQANCHMSA-N 2 0 358.490 0.219 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000627368537 493182510 /nfs/dbraw/zinc/18/25/10/493182510.db2.gz XHUKAWUNKXHERU-GZBFAFLISA-N 2 0 350.488 0.725 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)nn1 ZINC000659285871 493182815 /nfs/dbraw/zinc/18/28/15/493182815.db2.gz SNAVYOFACFWCDD-UHFFFAOYSA-N 2 0 352.508 0.718 20 0 FCADRP COCC[N@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220170 493183722 /nfs/dbraw/zinc/18/37/22/493183722.db2.gz ABQCPZQZWRZJLV-GOEBONIOSA-N 2 0 353.854 0.919 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000627373489 493185709 /nfs/dbraw/zinc/18/57/09/493185709.db2.gz SQHRYYLDIMCKQV-UHFFFAOYSA-N 2 0 362.474 0.067 20 0 FCADRP O[C@]1(Cn2cc(CN3CC[NH2+]CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641229111 493186197 /nfs/dbraw/zinc/18/61/97/493186197.db2.gz GKMXWIGBQUHIME-LJQANCHMSA-N 2 0 356.474 0.320 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627380014 493189817 /nfs/dbraw/zinc/18/98/17/493189817.db2.gz FMJKYAMXWGBDNU-GDBMZVCRSA-N 2 0 362.474 0.337 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000659318520 493189933 /nfs/dbraw/zinc/18/99/33/493189933.db2.gz JTVRHITUWCLRJS-UHFFFAOYSA-N 2 0 356.511 0.354 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388252 493195771 /nfs/dbraw/zinc/19/57/71/493195771.db2.gz PKBGUROBWDSCCZ-DOTOQJQBSA-N 2 0 362.474 0.199 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000627397294 493202273 /nfs/dbraw/zinc/20/22/73/493202273.db2.gz JKYHGTXXGHRRBQ-KRWDZBQOSA-N 2 0 362.474 0.756 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539569 493209308 /nfs/dbraw/zinc/20/93/08/493209308.db2.gz RKJRWKYOTHIMAD-CHWSQXEVSA-N 2 0 365.444 0.995 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577391 493215734 /nfs/dbraw/zinc/21/57/34/493215734.db2.gz RUNSYHGZJVVZRD-KZNAEPCWSA-N 2 0 373.501 0.629 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638244 493222886 /nfs/dbraw/zinc/22/28/86/493222886.db2.gz RJBJQUOHWNAVEV-INIZCTEOSA-N 2 0 367.538 0.071 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000672696433 493234369 /nfs/dbraw/zinc/23/43/69/493234369.db2.gz XJRBKTALTKXCMQ-BRWVUGGUSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672711548 493238464 /nfs/dbraw/zinc/23/84/64/493238464.db2.gz GYICQAHMDODECB-UHFFFAOYSA-N 2 0 355.527 0.111 20 0 FCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000666974429 493242907 /nfs/dbraw/zinc/24/29/07/493242907.db2.gz QCCVIIULIUYRFT-AEFFLSMTSA-N 2 0 366.506 0.603 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974347 493243022 /nfs/dbraw/zinc/24/30/22/493243022.db2.gz NVLWOFVLZDEDIH-QZTJIDSGSA-N 2 0 368.522 0.992 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000659677964 493247577 /nfs/dbraw/zinc/24/75/77/493247577.db2.gz UXEUKHPIENDEIN-QGZVFWFLSA-N 2 0 374.485 0.257 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000659687113 493253495 /nfs/dbraw/zinc/25/34/95/493253495.db2.gz QVNFBGAGVMLZRJ-UHFFFAOYSA-N 2 0 350.463 0.439 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659689610 493255267 /nfs/dbraw/zinc/25/52/67/493255267.db2.gz FXXIFOYIZPDCLF-UHFFFAOYSA-N 2 0 362.474 0.631 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccc(F)cc1 ZINC000659696904 493258899 /nfs/dbraw/zinc/25/88/99/493258899.db2.gz CULXDEFXIWIIGX-HNNXBMFYSA-N 2 0 350.438 0.932 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000659698839 493260241 /nfs/dbraw/zinc/26/02/41/493260241.db2.gz QHRCGNKWWIOIDS-INIZCTEOSA-N 2 0 361.490 0.039 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667151301 493261952 /nfs/dbraw/zinc/26/19/52/493261952.db2.gz HAERDVYKXMQRQT-OAHLLOKOSA-N 2 0 350.467 0.820 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659702798 493262873 /nfs/dbraw/zinc/26/28/73/493262873.db2.gz UXCNQWNJFRSIHC-KZNAEPCWSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659703985 493263117 /nfs/dbraw/zinc/26/31/17/493263117.db2.gz IJABBRMXWSSYPO-NVXWUHKLSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000659703449 493263334 /nfs/dbraw/zinc/26/33/34/493263334.db2.gz CCOSLILOKKSISW-CVEARBPZSA-N 2 0 366.506 0.333 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)n[nH]1 ZINC000667181628 493264927 /nfs/dbraw/zinc/26/49/27/493264927.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 0 372.473 0.343 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCCC2)CC1 ZINC000659707406 493265332 /nfs/dbraw/zinc/26/53/32/493265332.db2.gz IKIXXYULLVDCLD-UHFFFAOYSA-N 2 0 368.522 0.722 20 0 FCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957661 493270135 /nfs/dbraw/zinc/27/01/35/493270135.db2.gz UTIDFMUHXJDFRD-SJORKVTESA-N 2 0 368.522 0.462 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719536 493271326 /nfs/dbraw/zinc/27/13/26/493271326.db2.gz YSVHTLXLYQMFGP-LZWOXQAQSA-N 2 0 366.506 0.739 20 0 FCADRP COC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)[C@H]1CCCC[NH+]1C ZINC000682169456 493274269 /nfs/dbraw/zinc/27/42/69/493274269.db2.gz YBFQSPDGNJCKNZ-ARFHVFGLSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659726897 493274270 /nfs/dbraw/zinc/27/42/70/493274270.db2.gz CMVNZUHNRMMGMW-UHFFFAOYSA-N 2 0 361.490 0.478 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[NH2+]1 ZINC000659727376 493275299 /nfs/dbraw/zinc/27/52/99/493275299.db2.gz DSIGKWKFDZFTJY-CVEARBPZSA-N 2 0 373.501 0.619 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000659734738 493278753 /nfs/dbraw/zinc/27/87/53/493278753.db2.gz BRKQLNDRFUSVMR-ZBFHGGJFSA-N 2 0 352.479 0.086 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659739083 493280375 /nfs/dbraw/zinc/28/03/75/493280375.db2.gz MYCPZGCOMSHRIF-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659739085 493280537 /nfs/dbraw/zinc/28/05/37/493280537.db2.gz MYCPZGCOMSHRIF-ULQDDVLXSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000659752828 493286614 /nfs/dbraw/zinc/28/66/14/493286614.db2.gz NYUIRBVTTZMJGN-GFCCVEGCSA-N 2 0 356.417 0.579 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH3+] ZINC000659756014 493287196 /nfs/dbraw/zinc/28/71/96/493287196.db2.gz OYYDGDRSLHILIU-WMLDXEAASA-N 2 0 350.507 0.668 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000667536578 493289350 /nfs/dbraw/zinc/28/93/50/493289350.db2.gz CZIHBKDIWCMPLU-RHSMWYFYSA-N 2 0 360.458 0.776 20 0 FCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000667557862 493289820 /nfs/dbraw/zinc/28/98/20/493289820.db2.gz LDMXNCNIFFDPJW-LBPRGKRZSA-N 2 0 367.881 0.884 20 0 FCADRP CCC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)S(N)(=O)=O ZINC000667812305 493303308 /nfs/dbraw/zinc/30/33/08/493303308.db2.gz JFJWZLMGCQEAGE-GJZGRUSLSA-N 2 0 362.540 0.318 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660624863 493367790 /nfs/dbraw/zinc/36/77/90/493367790.db2.gz IQUAITBAIWVIEK-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000668526854 493371230 /nfs/dbraw/zinc/37/12/30/493371230.db2.gz QBZPDFHZWWUKKA-MAUKXSAKSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581695 493378147 /nfs/dbraw/zinc/37/81/47/493378147.db2.gz JNGRDNCYOGVQAZ-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCSC1 ZINC000660824095 493382250 /nfs/dbraw/zinc/38/22/50/493382250.db2.gz JXQMZXOIUQJEGZ-RDJZCZTQSA-N 2 0 356.536 0.976 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668624931 493386213 /nfs/dbraw/zinc/38/62/13/493386213.db2.gz CXZUQGZGYWKPML-GOEBONIOSA-N 2 0 354.495 0.202 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000668776592 493408495 /nfs/dbraw/zinc/40/84/95/493408495.db2.gz DELNOGBYPRUEON-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@@H+]1C ZINC000668892657 493429699 /nfs/dbraw/zinc/42/96/99/493429699.db2.gz IXUIRTNGNWYFBV-GOEBONIOSA-N 2 0 359.474 0.897 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668934089 493440246 /nfs/dbraw/zinc/44/02/46/493440246.db2.gz VDRMIJLQLZABDU-XHSDSOJGSA-N 2 0 364.494 0.508 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000669035303 493455887 /nfs/dbraw/zinc/45/58/87/493455887.db2.gz BYFRHXLSPGFRPK-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000675190047 493472639 /nfs/dbraw/zinc/47/26/39/493472639.db2.gz GYQYHBIAUNFKBF-JKSUJKDBSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000669227857 493480101 /nfs/dbraw/zinc/48/01/01/493480101.db2.gz HORLNHGGQCOEOP-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000662272057 493501703 /nfs/dbraw/zinc/50/17/03/493501703.db2.gz CFLRJGNAXMCHQW-HNNXBMFYSA-N 2 0 353.488 0.782 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662291180 493503889 /nfs/dbraw/zinc/50/38/89/493503889.db2.gz CQHZLFIRTWVDNW-ZWKOTPCHSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568542 493503968 /nfs/dbraw/zinc/50/39/68/493503968.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 2 0 368.566 0.293 20 0 FCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291429 493504053 /nfs/dbraw/zinc/50/40/53/493504053.db2.gz RZEYRBZDBJODAE-YOEHRIQHSA-N 2 0 350.507 0.810 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295940 493504394 /nfs/dbraw/zinc/50/43/94/493504394.db2.gz JDTWGECYOIRWKI-YJBOKZPZSA-N 2 0 350.507 0.777 20 0 FCADRP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662309810 493505615 /nfs/dbraw/zinc/50/56/15/493505615.db2.gz DVHVLVGRYBBPOL-QGZVFWFLSA-N 2 0 352.504 0.798 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486420 493506215 /nfs/dbraw/zinc/50/62/15/493506215.db2.gz DPJUTPIWCJLJTO-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491033 493507220 /nfs/dbraw/zinc/50/72/20/493507220.db2.gz IZHFMLWNBKDIAV-JKSUJKDBSA-N 2 0 351.495 0.500 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491030 493507336 /nfs/dbraw/zinc/50/73/36/493507336.db2.gz IZHFMLWNBKDIAV-CVEARBPZSA-N 2 0 351.495 0.500 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491349 493507430 /nfs/dbraw/zinc/50/74/30/493507430.db2.gz WGOGLINCBAKEGJ-IRXDYDNUSA-N 2 0 363.506 0.324 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC000662352621 493509082 /nfs/dbraw/zinc/50/90/82/493509082.db2.gz YNTWLHVJEOHONT-BPQIPLTHSA-N 2 0 363.506 0.505 20 0 FCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@@H+]1CCOC ZINC000662464107 493518389 /nfs/dbraw/zinc/51/83/89/493518389.db2.gz LECXYNOGZWXBRQ-BPQIPLTHSA-N 2 0 363.506 0.601 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662561598 493526047 /nfs/dbraw/zinc/52/60/47/493526047.db2.gz SIDMIDUJYJYBOF-PWSUYJOCSA-N 2 0 360.384 0.053 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676166727 493528605 /nfs/dbraw/zinc/52/86/05/493528605.db2.gz DKLNSNRPTWCNPB-MSOLQXFVSA-N 2 0 368.522 0.774 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662695311 493532755 /nfs/dbraw/zinc/53/27/55/493532755.db2.gz ZBGIBMKAQLREAF-OAHLLOKOSA-N 2 0 350.429 0.918 20 0 FCADRP C[N@H+](CCN1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721064 493534814 /nfs/dbraw/zinc/53/48/14/493534814.db2.gz PUAZULUPNFUFMI-OALUTQOASA-N 2 0 360.502 0.626 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734566 493535770 /nfs/dbraw/zinc/53/57/70/493535770.db2.gz RGHDVRFZWLYLIC-ZFWWWQNUSA-N 2 0 364.412 0.051 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000662866169 493548337 /nfs/dbraw/zinc/54/83/37/493548337.db2.gz HMKNHJZLUVHIGT-BBWFWOEESA-N 2 0 362.449 0.646 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662871620 493548827 /nfs/dbraw/zinc/54/88/27/493548827.db2.gz ATMBOQPJHUTOBB-MJGOQNOKSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662954354 493560311 /nfs/dbraw/zinc/56/03/11/493560311.db2.gz UTAYGGGRKWRIDC-SJLPKXTDSA-N 2 0 358.486 0.582 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662962502 493561568 /nfs/dbraw/zinc/56/15/68/493561568.db2.gz JVEWPECAJBHEAC-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000676698128 493567752 /nfs/dbraw/zinc/56/77/52/493567752.db2.gz MQHILNPEYIHPHX-MJGOQNOKSA-N 2 0 364.534 0.916 20 0 FCADRP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000677153505 493587075 /nfs/dbraw/zinc/58/70/75/493587075.db2.gz RJSSGPSHIKQJOT-GJZGRUSLSA-N 2 0 363.510 0.941 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670787488 493597043 /nfs/dbraw/zinc/59/70/43/493597043.db2.gz CAWZWAOPTDCADT-HOCLYGCPSA-N 2 0 355.442 0.736 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000677579681 493609219 /nfs/dbraw/zinc/60/92/19/493609219.db2.gz YSMAUKPKOMBZQR-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000670997793 493621990 /nfs/dbraw/zinc/62/19/90/493621990.db2.gz LEXOAJBBZOATBI-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962135 493627135 /nfs/dbraw/zinc/62/71/35/493627135.db2.gz KUTCGMPWADLUNP-BZSNNMDCSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664027280 493631221 /nfs/dbraw/zinc/63/12/21/493631221.db2.gz YPOBYWKFULTHDR-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000671091736 493632073 /nfs/dbraw/zinc/63/20/73/493632073.db2.gz QCSRGDDUNRCPDT-CQSZACIVSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671099214 493632769 /nfs/dbraw/zinc/63/27/69/493632769.db2.gz AEZRFJHVGBNEIA-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100327 493632776 /nfs/dbraw/zinc/63/27/76/493632776.db2.gz BJPUYIAHZWGCAT-ULQDDVLXSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103796 493634049 /nfs/dbraw/zinc/63/40/49/493634049.db2.gz IYVMTPAHELBXIW-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671105119 493635096 /nfs/dbraw/zinc/63/50/96/493635096.db2.gz HVGXZIQBWCDPPK-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107191 493636041 /nfs/dbraw/zinc/63/60/41/493636041.db2.gz GTCNOGWANXTLDY-WCXIOVBPSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671108376 493636362 /nfs/dbraw/zinc/63/63/62/493636362.db2.gz XTPUUIWRUAQBTC-QZWWFDLISA-N 2 0 350.507 0.966 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000664141317 493639518 /nfs/dbraw/zinc/63/95/18/493639518.db2.gz MSMSTWWYPYXQBS-QZWWFDLISA-N 2 0 356.511 0.440 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000664662193 493676042 /nfs/dbraw/zinc/67/60/42/493676042.db2.gz GUAQLFMQENQSRM-UHFFFAOYSA-N 2 0 355.527 0.770 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380482 493677940 /nfs/dbraw/zinc/67/79/40/493677940.db2.gz IPBFHJRMKHRZRW-GVDBMIGSSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000680011371 493705233 /nfs/dbraw/zinc/70/52/33/493705233.db2.gz YQJNYAHNSFBXJI-INIZCTEOSA-N 2 0 352.523 0.630 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671963617 493719643 /nfs/dbraw/zinc/71/96/43/493719643.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C1CC[NH+](C)CC1 ZINC000672010083 493724214 /nfs/dbraw/zinc/72/42/14/493724214.db2.gz UBJRNQYJQBGFSZ-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010756 493724408 /nfs/dbraw/zinc/72/44/08/493724408.db2.gz DUVCRZDLJOIKTQ-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099057 493734915 /nfs/dbraw/zinc/73/49/15/493734915.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 2 0 367.538 0.118 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000672166107 493740365 /nfs/dbraw/zinc/74/03/65/493740365.db2.gz RZXFQNNBCMXOBZ-YOEHRIQHSA-N 2 0 366.506 0.202 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125460 493759309 /nfs/dbraw/zinc/75/93/09/493759309.db2.gz GWAFBUYONGVNJY-JXFKEZNVSA-N 2 0 372.469 0.195 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410475689 534018776 /nfs/dbraw/zinc/01/87/76/534018776.db2.gz NLFFZJJIKIUBAI-IAGOWNOFSA-N 2 0 366.506 0.110 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410948160 527891279 /nfs/dbraw/zinc/89/12/79/527891279.db2.gz SSJZVRNCZJNVCS-SJORKVTESA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413456246 528142352 /nfs/dbraw/zinc/14/23/52/528142352.db2.gz OYRNSOSACYVOKF-OAHLLOKOSA-N 2 0 358.483 0.091 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000410477374 528144925 /nfs/dbraw/zinc/14/49/25/528144925.db2.gz TUZWCDXKQBNHIL-DLBZAZTESA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419375636 534993184 /nfs/dbraw/zinc/99/31/84/534993184.db2.gz RSRVMJWVSPRQAN-IRXDYDNUSA-N 2 0 368.522 0.435 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419698580 535072349 /nfs/dbraw/zinc/07/23/49/535072349.db2.gz PVONFDVJTRUNSV-BZUAXINKSA-N 2 0 368.522 0.842 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000425638642 535188721 /nfs/dbraw/zinc/18/87/21/535188721.db2.gz LICCDKMXINZROM-RCCFBDPRSA-N 2 0 351.539 0.994 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419284161 535217557 /nfs/dbraw/zinc/21/75/57/535217557.db2.gz KJVIMXBMVILQNO-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419851480 535523610 /nfs/dbraw/zinc/52/36/10/535523610.db2.gz OIJDDURCOWYGLG-UHFFFAOYSA-N 2 0 366.428 0.977 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419849249 535544249 /nfs/dbraw/zinc/54/42/49/535544249.db2.gz YBDURBVIODDPOU-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000420151736 535544348 /nfs/dbraw/zinc/54/43/48/535544348.db2.gz YUKJPQJPFLKESC-DOTOQJQBSA-N 2 0 368.522 0.593 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000423452378 535549455 /nfs/dbraw/zinc/54/94/55/535549455.db2.gz WCSUUDFKOGHVOS-INIZCTEOSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369326 535669052 /nfs/dbraw/zinc/66/90/52/535669052.db2.gz HMHCUPLIYASZTF-ROUUACIJSA-N 2 0 360.502 0.924 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419377231 535669759 /nfs/dbraw/zinc/66/97/59/535669759.db2.gz UTLSYIXBAASHTC-BPQIPLTHSA-N 2 0 360.502 0.861 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375236 535738927 /nfs/dbraw/zinc/73/89/27/535738927.db2.gz WEHCFNAXOYDTLJ-OAFZBRQQSA-N 2 0 352.523 0.661 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415274779 535750448 /nfs/dbraw/zinc/75/04/48/535750448.db2.gz XQBOQLPGXKIJOK-HNNXBMFYSA-N 2 0 359.474 0.717 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)c2)CC1 ZINC000415300805 535750961 /nfs/dbraw/zinc/75/09/61/535750961.db2.gz PPIIITZWUKNBCZ-MRXNPFEDSA-N 2 0 359.474 0.587 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000445924649 535847564 /nfs/dbraw/zinc/84/75/64/535847564.db2.gz NRENPMUSGOYHQH-UHFFFAOYSA-N 2 0 363.462 0.513 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1=O ZINC000424041121 535877085 /nfs/dbraw/zinc/87/70/85/535877085.db2.gz SPUALLYNPQZZBS-JLJPHGGASA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419768430 535895339 /nfs/dbraw/zinc/89/53/39/535895339.db2.gz CMKFLYZBNYLHAU-GOSISDBHSA-N 2 0 372.469 0.650 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000415274068 535905995 /nfs/dbraw/zinc/90/59/95/535905995.db2.gz SSNXLCBYXVXTOL-LBPRGKRZSA-N 2 0 352.410 0.654 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000423558229 535961196 /nfs/dbraw/zinc/96/11/96/535961196.db2.gz LBKBYNUPTYSCRV-NXHRZFHOSA-N 2 0 358.486 0.597 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446326767 536000219 /nfs/dbraw/zinc/00/02/19/536000219.db2.gz OWFDGWWVPFEGTI-UHFFFAOYSA-N 2 0 363.462 0.691 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423379473 536340613 /nfs/dbraw/zinc/34/06/13/536340613.db2.gz LXYAAYBFEQNKDR-KRWDZBQOSA-N 2 0 362.474 0.153 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419754882 536349769 /nfs/dbraw/zinc/34/97/69/536349769.db2.gz BGZXRKIMNWDFFU-HNNXBMFYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000423464696 536367163 /nfs/dbraw/zinc/36/71/63/536367163.db2.gz GXOSYOMLBWCPNJ-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP C[N@H+](CCN1CCN(c2ccccc2)CC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700114 536371869 /nfs/dbraw/zinc/37/18/69/536371869.db2.gz KFVKULBHQZPCNG-LJQANCHMSA-N 2 0 373.545 0.938 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000419176163 536417164 /nfs/dbraw/zinc/41/71/64/536417164.db2.gz YWBNVPCACRJQFU-MSOLQXFVSA-N 2 0 358.486 0.488 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000419769883 536481162 /nfs/dbraw/zinc/48/11/62/536481162.db2.gz WJMAAKHOKBUDTN-ROUUACIJSA-N 2 0 374.485 0.118 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000419763973 536481328 /nfs/dbraw/zinc/48/13/28/536481328.db2.gz OUHJDZPUTUFDIY-WMZOPIPTSA-N 2 0 358.486 0.820 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423441714 536775185 /nfs/dbraw/zinc/77/51/85/536775185.db2.gz JGGQNSFWUVEDEJ-QGZVFWFLSA-N 2 0 368.522 0.533 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419680382 536779820 /nfs/dbraw/zinc/77/98/20/536779820.db2.gz RDLBORKVOPHKCM-MRXNPFEDSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1=O ZINC000425319337 536799185 /nfs/dbraw/zinc/79/91/85/536799185.db2.gz PSNUAPSQMYVJHY-OAHLLOKOSA-N 2 0 359.430 0.243 20 0 FCADRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000414894947 536805649 /nfs/dbraw/zinc/80/56/49/536805649.db2.gz MCSDJIANGIBFMO-AWEZNQCLSA-N 2 0 351.447 0.760 20 0 FCADRP Cn1ccnc1[C@@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533865081 546531406 /nfs/dbraw/zinc/53/14/06/546531406.db2.gz HOERQLZWGFDJPN-GFCCVEGCSA-N 2 0 363.443 0.496 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000332969449 546859148 /nfs/dbraw/zinc/85/91/48/546859148.db2.gz KFZJDKRHPDVJIJ-IRXDYDNUSA-N 2 0 353.511 0.129 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000332969448 546859234 /nfs/dbraw/zinc/85/92/34/546859234.db2.gz KFZJDKRHPDVJIJ-DLBZAZTESA-N 2 0 353.511 0.129 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647873554 546861376 /nfs/dbraw/zinc/86/13/76/546861376.db2.gz ZZJHDCYJSWPMLB-CYBMUJFWSA-N 2 0 366.487 0.594 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715687 546928510 /nfs/dbraw/zinc/92/85/10/546928510.db2.gz JXMPXUTUCIJIRF-IAGOWNOFSA-N 2 0 356.511 0.633 20 0 FCADRP COC[C@@]1(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800255 546960527 /nfs/dbraw/zinc/96/05/27/546960527.db2.gz AYMWYGDFBCASOR-AEFFLSMTSA-N 2 0 353.511 0.176 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000550355956 547084179 /nfs/dbraw/zinc/08/41/79/547084179.db2.gz KLXWKNYEGAUMQI-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550644331 547092353 /nfs/dbraw/zinc/09/23/53/547092353.db2.gz QZDYXFGIRMFZAP-KSSFIOAISA-N 2 0 366.531 0.937 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550644329 547093153 /nfs/dbraw/zinc/09/31/53/547093153.db2.gz QZDYXFGIRMFZAP-KBXCAEBGSA-N 2 0 366.531 0.937 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550658344 547094731 /nfs/dbraw/zinc/09/47/31/547094731.db2.gz JWADJXPBASADIM-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550838229 547109900 /nfs/dbraw/zinc/10/99/00/547109900.db2.gz AFNYGRMKZQSDRC-PBHICJAKSA-N 2 0 356.536 0.483 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCSC1 ZINC000550839283 547111200 /nfs/dbraw/zinc/11/12/00/547111200.db2.gz SOHOTASVYDUEGV-SFHVURJKSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C[NH+]1CCCC1 ZINC000551110832 547126375 /nfs/dbraw/zinc/12/63/75/547126375.db2.gz BGHPCNSSMFTILU-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216691 547135195 /nfs/dbraw/zinc/13/51/95/547135195.db2.gz ABTLKDJSVHEUOO-KBXCAEBGSA-N 2 0 368.547 0.673 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000551332788 547142290 /nfs/dbraw/zinc/14/22/90/547142290.db2.gz QKHLCGVVJYJSCX-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551492071 547149975 /nfs/dbraw/zinc/14/99/75/547149975.db2.gz LCIMNCXJPAYBHJ-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000552851871 547236166 /nfs/dbraw/zinc/23/61/66/547236166.db2.gz WFEMYIODBORULR-RHSMWYFYSA-N 2 0 350.507 0.966 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000553267467 547264573 /nfs/dbraw/zinc/26/45/73/547264573.db2.gz VIIQCYHIRKBNPT-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C[C@@H]1C ZINC000553372642 547274030 /nfs/dbraw/zinc/27/40/30/547274030.db2.gz ZSLMOJFKGPHFSS-JYJNAYRXSA-N 2 0 354.495 0.155 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000475723659 547334317 /nfs/dbraw/zinc/33/43/17/547334317.db2.gz PWSHROFIEFHUGT-FCGDIQPGSA-N 2 0 357.539 0.889 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206089 674397231 /nfs/dbraw/zinc/39/72/31/674397231.db2.gz LPVATDHAUUSJNS-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949838484 674414055 /nfs/dbraw/zinc/41/40/55/674414055.db2.gz KCRRMWYXFDOSPJ-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736758278 598533320 /nfs/dbraw/zinc/53/33/20/598533320.db2.gz DUIOSYUZTGNQAB-MRXNPFEDSA-N 2 0 360.462 0.880 20 0 FCADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737837461 598761560 /nfs/dbraw/zinc/76/15/60/598761560.db2.gz HJBKHYIWEIQJMH-GHMZBOCLSA-N 2 0 373.486 0.897 20 0 FCADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1-c1nn[nH]n1 ZINC000821813977 599431725 /nfs/dbraw/zinc/43/17/25/599431725.db2.gz QTIOSHNMAADSRT-AWEZNQCLSA-N 2 0 373.461 0.552 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000952293691 674475162 /nfs/dbraw/zinc/47/51/62/674475162.db2.gz AHWWXRGROWWNFN-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000953978437 674487399 /nfs/dbraw/zinc/48/73/99/674487399.db2.gz RZUHKMWRLYRDEC-HLLBOEOZSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@@H+]1C ZINC000954412314 674496734 /nfs/dbraw/zinc/49/67/34/674496734.db2.gz DZEHVPOXRXTNSV-GVDBMIGSSA-N 2 0 350.507 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000954408999 674496810 /nfs/dbraw/zinc/49/68/10/674496810.db2.gz IZFXAIQAFMENAO-GDBMZVCRSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000954704716 674503551 /nfs/dbraw/zinc/50/35/51/674503551.db2.gz DBOLHASIYSEUGF-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000954840132 674506016 /nfs/dbraw/zinc/50/60/16/674506016.db2.gz LISREEDKOAWWDD-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000957014311 674533484 /nfs/dbraw/zinc/53/34/84/674533484.db2.gz WZXHWRKGTQOIDW-OGWOLHLISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000957592752 674546786 /nfs/dbraw/zinc/54/67/86/674546786.db2.gz VRUDHVDVKVAVCX-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480522 606860487 /nfs/dbraw/zinc/86/04/87/606860487.db2.gz LMLSGKKUSQXCML-KBXCAEBGSA-N 2 0 374.489 0.925 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000989215363 665718004 /nfs/dbraw/zinc/71/80/04/665718004.db2.gz AGBSVWCRCPDJEB-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000897679281 665762621 /nfs/dbraw/zinc/76/26/21/665762621.db2.gz UPENZCCITXMIMC-MRXNPFEDSA-N 2 0 351.491 0.668 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)(N2CCOCC2)CC1 ZINC000897970448 665783772 /nfs/dbraw/zinc/78/37/72/665783772.db2.gz MIZGXDKVSGQVFH-INIZCTEOSA-N 2 0 352.523 0.772 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899147773 665931003 /nfs/dbraw/zinc/93/10/03/665931003.db2.gz AYGODKDXOMZGAR-QGZVFWFLSA-N 2 0 351.491 0.811 20 0 FCADRP C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2)CO1 ZINC000891102957 663311101 /nfs/dbraw/zinc/31/11/01/663311101.db2.gz HUVKIIBLYNUEAG-RYRKJORJSA-N 2 0 356.511 0.848 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000971564196 663398031 /nfs/dbraw/zinc/39/80/31/663398031.db2.gz UZFYFNOQVDGSCF-DJIMGWMZSA-N 2 0 371.547 0.684 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495568 663409874 /nfs/dbraw/zinc/40/98/74/663409874.db2.gz ZVNCDOVXYOTSJU-TUVASFSCSA-N 2 0 353.467 0.293 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000891513442 663410717 /nfs/dbraw/zinc/41/07/17/663410717.db2.gz CDFUWXLURDNTSD-NGFQHRJXSA-N 2 0 351.451 0.046 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000891513852 663410881 /nfs/dbraw/zinc/41/08/81/663410881.db2.gz IALMBCGLEWTSHY-FDYHWXHSSA-N 2 0 350.385 0.628 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891535634 663412823 /nfs/dbraw/zinc/41/28/23/663412823.db2.gz LKRGYKVVRYQHPO-MAUKXSAKSA-N 2 0 351.495 0.513 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538131 663413038 /nfs/dbraw/zinc/41/30/38/663413038.db2.gz QFYDIBRNTZVVEQ-HZPDHXFCSA-N 2 0 354.495 0.555 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000891567945 663415947 /nfs/dbraw/zinc/41/59/47/663415947.db2.gz YQZGNPUIMOTJCW-ULQDDVLXSA-N 2 0 353.511 0.210 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891579968 663416853 /nfs/dbraw/zinc/41/68/53/663416853.db2.gz QIPVBOLLZGCQTM-ZIAGYGMSSA-N 2 0 365.444 0.793 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC1 ZINC000891827230 663440788 /nfs/dbraw/zinc/44/07/88/663440788.db2.gz KBFMZSHTABUFOO-MCIONIFRSA-N 2 0 351.451 0.047 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847652 663444759 /nfs/dbraw/zinc/44/47/59/663444759.db2.gz RVYPCMJEUHHEBI-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP CCCNC(=O)CN1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000891925198 663450205 /nfs/dbraw/zinc/45/02/05/663450205.db2.gz FQJNFAXVEQUKDR-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891973722 663459946 /nfs/dbraw/zinc/45/99/46/663459946.db2.gz XIWYTDBDHCTDGO-IRXDYDNUSA-N 2 0 353.511 0.224 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891992725 663464954 /nfs/dbraw/zinc/46/49/54/663464954.db2.gz JPZGPVRQAJKESQ-QGZVFWFLSA-N 2 0 355.527 0.470 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@@H]21 ZINC000892107641 663476919 /nfs/dbraw/zinc/47/69/19/663476919.db2.gz LVPVYQIDIBQSBH-RDBSUJKOSA-N 2 0 363.428 0.558 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000892435578 663897536 /nfs/dbraw/zinc/89/75/36/663897536.db2.gz BCFFUTCCDFFMAT-JYJNAYRXSA-N 2 0 351.495 0.357 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587680 664044341 /nfs/dbraw/zinc/04/43/41/664044341.db2.gz OSGVOMMFUHMRIT-QKPAOTATSA-N 2 0 351.495 0.546 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649374 664058726 /nfs/dbraw/zinc/05/87/26/664058726.db2.gz LDAMPWZVZLYQNL-CVEARBPZSA-N 2 0 353.511 0.570 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000892651520 664059346 /nfs/dbraw/zinc/05/93/46/664059346.db2.gz ZJJYHDAZCMNMEK-XHSDSOJGSA-N 2 0 351.495 0.275 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000973327805 664098977 /nfs/dbraw/zinc/09/89/77/664098977.db2.gz SVHQGXKAZDSDSM-QBPKDAKJSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892751220 664136402 /nfs/dbraw/zinc/13/64/02/664136402.db2.gz MYPGSHHXBMYVLX-GDBMZVCRSA-N 2 0 352.504 0.746 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCCC[N@H+]1CCO ZINC000892761391 664137824 /nfs/dbraw/zinc/13/78/24/664137824.db2.gz ZWDVSLBUQOQPBP-HOTGVXAUSA-N 2 0 354.495 0.291 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760537 664138633 /nfs/dbraw/zinc/13/86/33/664138633.db2.gz UIVGEBFTIMKCEL-CVEARBPZSA-N 2 0 354.495 0.291 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892944936 664177176 /nfs/dbraw/zinc/17/71/76/664177176.db2.gz XCUKPMQXQFSIOQ-IXDOHACOSA-N 2 0 354.495 0.338 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC000974187832 664226983 /nfs/dbraw/zinc/22/69/83/664226983.db2.gz VCILQDLCFVHGAB-RGGMIXCSSA-N 2 0 350.507 0.820 20 0 FCADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893353325 664248990 /nfs/dbraw/zinc/24/89/90/664248990.db2.gz NWCCWTYOFLNVOH-YOEHRIQHSA-N 2 0 367.515 0.891 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21)[NH+](C)C ZINC000975230433 664309426 /nfs/dbraw/zinc/30/94/26/664309426.db2.gz UBADXCPGHXYDEX-LTIDMASMSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCSC1 ZINC000893418508 664356638 /nfs/dbraw/zinc/35/66/38/664356638.db2.gz YHVYPXXVJRLNMH-VYDXJSESSA-N 2 0 356.536 0.664 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000976035864 664365453 /nfs/dbraw/zinc/36/54/53/664365453.db2.gz IVNZKEBAIRKLKK-NXOAAHMSSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000976406256 664381892 /nfs/dbraw/zinc/38/18/92/664381892.db2.gz MVZLTCMRPHOZOM-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000976595459 664390691 /nfs/dbraw/zinc/39/06/91/664390691.db2.gz KIFWTIBDABSPRV-ZBURPKILSA-N 2 0 350.507 0.486 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000978873054 664447623 /nfs/dbraw/zinc/44/76/23/664447623.db2.gz ZABMUQVAOYKUMY-TXCZRRACSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000979865377 664464396 /nfs/dbraw/zinc/46/43/96/664464396.db2.gz YGQWZFDPCHTJPC-WRQOLXDDSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776837 664839204 /nfs/dbraw/zinc/83/92/04/664839204.db2.gz YBFOCJYZCPXXRQ-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C[C@]2(C)C1 ZINC000893739850 664872966 /nfs/dbraw/zinc/87/29/66/664872966.db2.gz AUELXQJDRATZJX-WMEZAQDKSA-N 2 0 350.507 0.957 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001028547381 664901412 /nfs/dbraw/zinc/90/14/12/664901412.db2.gz SAUKPACFSLXHGI-JQHSSLGASA-N 2 0 353.507 0.554 20 0 FCADRP COCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546855 664902018 /nfs/dbraw/zinc/90/20/18/664902018.db2.gz HELDWDVMHVEXES-JQHSSLGASA-N 2 0 353.507 0.818 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000982875616 664932189 /nfs/dbraw/zinc/93/21/89/664932189.db2.gz VFKRICUFQPNBPI-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP COc1nscc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960527000 674678238 /nfs/dbraw/zinc/67/82/38/674678238.db2.gz MXXXMOMJOOBEAF-LFHLZQBKSA-N 2 0 366.487 0.417 20 0 FCADRP C[NH+]1CCC(NC(=S)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000728451330 665146566 /nfs/dbraw/zinc/14/65/66/665146566.db2.gz OIAGBJSMDLIHMT-UHFFFAOYSA-N 2 0 353.536 0.195 20 0 FCADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000897443590 665288586 /nfs/dbraw/zinc/28/85/86/665288586.db2.gz XSIPOLXEGWSASG-HZPDHXFCSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000937940482 665306885 /nfs/dbraw/zinc/30/68/85/665306885.db2.gz FWGIAANVROUITJ-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000263046163 665332284 /nfs/dbraw/zinc/33/22/84/665332284.db2.gz UBKWCZZMHSCYPS-GDBMZVCRSA-N 2 0 354.476 0.770 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)CC1 ZINC000905343351 666021031 /nfs/dbraw/zinc/02/10/31/666021031.db2.gz PSBXWURFRMUPBH-INIZCTEOSA-N 2 0 366.531 0.906 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000907589665 666145708 /nfs/dbraw/zinc/14/57/08/666145708.db2.gz UXRRSDWMJKWJKG-QGZVFWFLSA-N 2 0 354.539 0.706 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000908526464 666210305 /nfs/dbraw/zinc/21/03/05/666210305.db2.gz MSYKIOPIBUEUQV-GOSISDBHSA-N 2 0 354.539 0.756 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000910993630 666302809 /nfs/dbraw/zinc/30/28/09/666302809.db2.gz SZFWZCXLABIVSL-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000910993629 666302845 /nfs/dbraw/zinc/30/28/45/666302845.db2.gz SZFWZCXLABIVSL-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911195054 666322373 /nfs/dbraw/zinc/32/23/73/666322373.db2.gz SNXKYHXMMVKZCJ-INIZCTEOSA-N 2 0 354.495 0.252 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557441 666365900 /nfs/dbraw/zinc/36/59/00/666365900.db2.gz OWEVYIFOKZNBOK-OAHLLOKOSA-N 2 0 350.463 0.818 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564712 666366926 /nfs/dbraw/zinc/36/69/26/666366926.db2.gz VJHMLCHONBTYGD-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992697 666490430 /nfs/dbraw/zinc/49/04/30/666490430.db2.gz KTXWWHULORPCFQ-QFBILLFUSA-N 2 0 353.507 0.840 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939481285 666517213 /nfs/dbraw/zinc/51/72/13/666517213.db2.gz FRZXDJFTFVYISV-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940311560 666546264 /nfs/dbraw/zinc/54/62/64/666546264.db2.gz UUSGKLJOVAIYTI-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000940755813 666560999 /nfs/dbraw/zinc/56/09/99/666560999.db2.gz HKNWRKREWNADRB-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992089065 666617821 /nfs/dbraw/zinc/61/78/21/666617821.db2.gz DNUMEFGHZJPZST-BFYDXBDKSA-N 2 0 350.507 0.632 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995150142 666630680 /nfs/dbraw/zinc/63/06/80/666630680.db2.gz BAMZKMJVRBTHJX-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+]1CCCC1 ZINC000992308567 666632779 /nfs/dbraw/zinc/63/27/79/666632779.db2.gz DGTDRPOQQPMYBV-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992320180 666633191 /nfs/dbraw/zinc/63/31/91/666633191.db2.gz UNERBHKSCSLFDY-HYVNUMGLSA-N 2 0 350.507 0.917 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000992400195 666636022 /nfs/dbraw/zinc/63/60/22/666636022.db2.gz MRBVZPFIJJWUTN-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000942276869 666719506 /nfs/dbraw/zinc/71/95/06/666719506.db2.gz ZNLPCLZPWQAXLO-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000945381491 666878748 /nfs/dbraw/zinc/87/87/48/666878748.db2.gz KCYGOMJAFYEAQE-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995830836 666892359 /nfs/dbraw/zinc/89/23/59/666892359.db2.gz IPTKHJQMXFDBDA-RBSFLKMASA-N 2 0 351.495 0.178 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287387 666905569 /nfs/dbraw/zinc/90/55/69/666905569.db2.gz ZOCKHBWULAXGIC-HOCLYGCPSA-N 2 0 352.479 0.750 20 0 FCADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2)[NH+](C)C ZINC000996558560 666936131 /nfs/dbraw/zinc/93/61/31/666936131.db2.gz BHMLDKIFYGMMMG-CVYDXHPNSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000996602887 666943355 /nfs/dbraw/zinc/94/33/55/666943355.db2.gz IERQELMQLTXLFY-HYVNUMGLSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000996604904 666945860 /nfs/dbraw/zinc/94/58/60/666945860.db2.gz XGALGMCQLNLCBG-SOUVJXGZSA-N 2 0 350.463 0.103 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276470 666958946 /nfs/dbraw/zinc/95/89/46/666958946.db2.gz CYENDMCNCZNBEW-DLBZAZTESA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994222942 666979902 /nfs/dbraw/zinc/97/99/02/666979902.db2.gz QBYJEKJEJPLPJI-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916843095 667032990 /nfs/dbraw/zinc/03/29/90/667032990.db2.gz TVHTYJBJCUTVSV-YESZJQIVSA-N 2 0 352.479 0.402 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998060917 667194875 /nfs/dbraw/zinc/19/48/75/667194875.db2.gz XWUUQLYGZKBGFL-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000998791143 667221771 /nfs/dbraw/zinc/22/17/71/667221771.db2.gz INKDWQOIACDPFU-LHUBUQBQSA-N 2 0 371.547 0.730 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002483517 667544177 /nfs/dbraw/zinc/54/41/77/667544177.db2.gz DNZHTOHBPFLDGD-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002844523 667569177 /nfs/dbraw/zinc/56/91/77/667569177.db2.gz IMCXGHUNBUXAIC-OLMNPRSZSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)N1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001002860607 667571561 /nfs/dbraw/zinc/57/15/61/667571561.db2.gz LRUGVDCMQXJNMJ-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001002858884 667571781 /nfs/dbraw/zinc/57/17/81/667571781.db2.gz IKGRYFJAXYNPRN-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033087161 667669134 /nfs/dbraw/zinc/66/91/34/667669134.db2.gz AWTUTZIJFQRQOU-KURKYZTESA-N 2 0 353.507 0.648 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001005407710 667740359 /nfs/dbraw/zinc/74/03/59/667740359.db2.gz QKUWFSFIOMTMFR-BPLDGKMQSA-N 2 0 350.463 0.055 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001034648197 667762131 /nfs/dbraw/zinc/76/21/31/667762131.db2.gz ZLNIMQVGZVQZSU-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001036603961 667791664 /nfs/dbraw/zinc/79/16/64/667791664.db2.gz VSGDETWYCWVPDJ-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923397068 667831062 /nfs/dbraw/zinc/83/10/62/667831062.db2.gz BRLXRLNZLGXIGQ-HZPDHXFCSA-N 2 0 351.495 0.785 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923419385 667834037 /nfs/dbraw/zinc/83/40/37/667834037.db2.gz AZPQBWDHZVDUPM-NCOADZHNSA-N 2 0 351.491 0.497 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518438 667843136 /nfs/dbraw/zinc/84/31/36/667843136.db2.gz GKRJLHKCQWVFQQ-LSDHHAIUSA-N 2 0 353.488 0.857 20 0 FCADRP C[NH+](C)CCCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000839431433 668003704 /nfs/dbraw/zinc/00/37/04/668003704.db2.gz GFLFRIUVRBMAFS-UHFFFAOYSA-N 2 0 350.536 0.749 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608580 668038433 /nfs/dbraw/zinc/03/84/33/668038433.db2.gz FTQZBEZSWZSHJP-CHWSQXEVSA-N 2 0 355.508 0.417 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000787378635 668795773 /nfs/dbraw/zinc/79/57/73/668795773.db2.gz ZGTFRDRIXFPTRB-KRWDZBQOSA-N 2 0 350.507 0.384 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000822962057 669309690 /nfs/dbraw/zinc/30/96/90/669309690.db2.gz PULYRBZCVKDZIE-JKSUJKDBSA-N 2 0 354.495 0.602 20 0 FCADRP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817907785 670047781 /nfs/dbraw/zinc/04/77/81/670047781.db2.gz WLXHGXTXRFEJOY-JKSUJKDBSA-N 2 0 354.472 0.991 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000842088227 670632649 /nfs/dbraw/zinc/63/26/49/670632649.db2.gz LVFSZMJPNAHWGJ-MRXNPFEDSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261332 670789560 /nfs/dbraw/zinc/78/95/60/670789560.db2.gz IOBUPLUHFGCABU-OAHLLOKOSA-N 2 0 354.495 0.333 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)NC(=O)N[C@H]1C ZINC000843388675 670811988 /nfs/dbraw/zinc/81/19/88/670811988.db2.gz WEXBEKGZTNNTBP-IHRRRGAJSA-N 2 0 350.463 0.826 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000968014207 675178019 /nfs/dbraw/zinc/17/80/19/675178019.db2.gz RYOAOJIKRMAUFY-GVDBMIGSSA-N 2 0 350.507 0.870 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000849052372 671316256 /nfs/dbraw/zinc/31/62/56/671316256.db2.gz UZIVAKQEWKQVIY-RBSFLKMASA-N 2 0 359.540 0.693 20 0 FCADRP O=C(N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000852930675 671532806 /nfs/dbraw/zinc/53/28/06/671532806.db2.gz MFPPSLNZUSJBBR-GUYCJALGSA-N 2 0 350.442 0.227 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000861765180 671992952 /nfs/dbraw/zinc/99/29/52/671992952.db2.gz NEVJCFHMCUCNMS-CQSZACIVSA-N 2 0 350.463 0.439 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(=O)n(C)cn1 ZINC000888516162 672050628 /nfs/dbraw/zinc/05/06/28/672050628.db2.gz GLSUZMDYRJXSHR-AWEZNQCLSA-N 2 0 350.467 0.660 20 0 FCADRP [NH3+][C@H]1CCN(c2cccc(CNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000864324691 672189937 /nfs/dbraw/zinc/18/99/37/672189937.db2.gz XLEDNZLXLUGRHD-XHDPSFHLSA-N 2 0 357.380 0.777 20 0 FCADRP CC[NH+]1CCCN(C(=O)C(F)(F)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000865921620 672255680 /nfs/dbraw/zinc/25/56/80/672255680.db2.gz SUDKTVAIIXSMDV-UHFFFAOYSA-N 2 0 360.449 0.730 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3(C)CC3)CC2)CC[N@@H+]1C ZINC001055587474 676025694 /nfs/dbraw/zinc/02/56/94/676025694.db2.gz DJUITJXYMDPEEJ-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923628935 672538706 /nfs/dbraw/zinc/53/87/06/672538706.db2.gz QKYGTUWZHZUOTC-VQFNDLOPSA-N 2 0 366.531 0.883 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001423576 676071550 /nfs/dbraw/zinc/07/15/50/676071550.db2.gz DUHSGEYFWRVAFD-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876512361 672961236 /nfs/dbraw/zinc/96/12/36/672961236.db2.gz MKHKAAFPRRGSHT-UHFFFAOYSA-N 2 0 351.476 0.080 20 0 FCADRP CC(C)[C@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000876924757 672988402 /nfs/dbraw/zinc/98/84/02/672988402.db2.gz VNKHCBGRVSQFMK-KRWDZBQOSA-N 2 0 354.520 0.696 20 0 FCADRP CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524154 676085426 /nfs/dbraw/zinc/08/54/26/676085426.db2.gz UOQIIPRIGONFIS-XHSDSOJGSA-N 2 0 350.507 0.905 20 0 FCADRP CCc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624582 676107054 /nfs/dbraw/zinc/10/70/54/676107054.db2.gz RTWFJBVFCISRTC-VNQPRFMTSA-N 2 0 350.463 0.894 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880212242 673181481 /nfs/dbraw/zinc/18/14/81/673181481.db2.gz HBABIYIGMAOUHL-SFHVURJKSA-N 2 0 352.523 0.820 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883139163 673367969 /nfs/dbraw/zinc/36/79/69/673367969.db2.gz CMXHAXIOJIYPJX-KRWDZBQOSA-N 2 0 356.511 0.897 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000883642506 673387735 /nfs/dbraw/zinc/38/77/35/673387735.db2.gz NLOVUNDCDLUVOK-QFBILLFUSA-N 2 0 350.507 0.779 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884286051 673443891 /nfs/dbraw/zinc/44/38/91/673443891.db2.gz WXAZKGRJZVHPRL-HUUCEWRRSA-N 2 0 367.291 0.955 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884494084 673457209 /nfs/dbraw/zinc/45/72/09/673457209.db2.gz KARVIHKTFLGHKB-JTDSTZFVSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884503847 673457742 /nfs/dbraw/zinc/45/77/42/673457742.db2.gz VFDQJYLLFZONOO-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516828 673459492 /nfs/dbraw/zinc/45/94/92/673459492.db2.gz VPEJYIQBTWKYHO-HOTGVXAUSA-N 2 0 352.479 0.086 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884555656 673461950 /nfs/dbraw/zinc/46/19/50/673461950.db2.gz WXGPGCPFPJMENM-FRIZHTMISA-N 2 0 350.507 0.809 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884577690 673463473 /nfs/dbraw/zinc/46/34/73/673463473.db2.gz KQVDHOJYVJQMGY-AGIUHOORSA-N 2 0 364.412 0.573 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884577806 673463499 /nfs/dbraw/zinc/46/34/99/673463499.db2.gz MNXZTTJWUSOUPJ-YVSFHVDLSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884577807 673463596 /nfs/dbraw/zinc/46/35/96/673463596.db2.gz MNXZTTJWUSOUPJ-YYIAUSFCSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884597843 673464765 /nfs/dbraw/zinc/46/47/65/673464765.db2.gz LTINBMJVEOWFRK-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)(C)C[NH+](C)C ZINC000884607852 673465324 /nfs/dbraw/zinc/46/53/24/673465324.db2.gz GLMSLPKFXPVZAB-SDDRHHMPSA-N 2 0 366.428 0.675 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)(C)C[NH+](C)C ZINC000884607851 673465376 /nfs/dbraw/zinc/46/53/76/673465376.db2.gz GLMSLPKFXPVZAB-QJPTWQEYSA-N 2 0 366.428 0.675 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884617168 673466379 /nfs/dbraw/zinc/46/63/79/673466379.db2.gz IYIVTHNCNALDPK-JHJVBQTASA-N 2 0 364.412 0.573 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000884616673 673466427 /nfs/dbraw/zinc/46/64/27/673466427.db2.gz AEWBURPGHDKNTD-SCVCMEIPSA-N 2 0 350.385 0.181 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000884631478 673468152 /nfs/dbraw/zinc/46/81/52/673468152.db2.gz LRKOBSNBOPMSBH-FRRDWIJNSA-N 2 0 362.396 0.183 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884637099 673468700 /nfs/dbraw/zinc/46/87/00/673468700.db2.gz AOMTUTQPNLSTJV-SFHVURJKSA-N 2 0 356.511 0.294 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000884663521 673470569 /nfs/dbraw/zinc/47/05/69/673470569.db2.gz OZCXUUUGPGGHLT-HNNXBMFYSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664090 673470732 /nfs/dbraw/zinc/47/07/32/673470732.db2.gz CNRUTMOSCLXQIP-ZDUSSCGKSA-N 2 0 358.433 0.338 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000884683265 673472515 /nfs/dbraw/zinc/47/25/15/673472515.db2.gz ALFXNLKMDMFIHT-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000884711114 673475617 /nfs/dbraw/zinc/47/56/17/673475617.db2.gz DZSRDAWIPRCPON-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@@H]21 ZINC000884708321 673475760 /nfs/dbraw/zinc/47/57/60/673475760.db2.gz UVZKTMGPVSMAKB-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884720649 673476696 /nfs/dbraw/zinc/47/66/96/673476696.db2.gz RJBXKVKNTATXTA-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000884973706 673494672 /nfs/dbraw/zinc/49/46/72/673494672.db2.gz CTUQEFBYXJLDFA-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000884976574 673495324 /nfs/dbraw/zinc/49/53/24/673495324.db2.gz UIXKMMAVWXQZAD-MRXNPFEDSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000884985848 673495833 /nfs/dbraw/zinc/49/58/33/673495833.db2.gz BZAZKJBQGBOZKA-PQUGWKKUSA-N 2 0 350.507 0.951 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885010909 673497881 /nfs/dbraw/zinc/49/78/81/673497881.db2.gz XALWPSYFJDUOQH-MUJYYYPQSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000885292283 673513037 /nfs/dbraw/zinc/51/30/37/673513037.db2.gz UPHNFLPVXQDQQV-KBPBESRZSA-N 2 0 358.433 0.292 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885291517 673513116 /nfs/dbraw/zinc/51/31/16/673513116.db2.gz OVDSATPWGKQNOE-KBPBESRZSA-N 2 0 360.449 0.680 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000885292286 673513138 /nfs/dbraw/zinc/51/31/38/673513138.db2.gz UPHNFLPVXQDQQV-ZIAGYGMSSA-N 2 0 358.433 0.292 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887080804 673620823 /nfs/dbraw/zinc/62/08/23/673620823.db2.gz FYVKGSOCKGELSK-QFBILLFUSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000887640431 673636428 /nfs/dbraw/zinc/63/64/28/673636428.db2.gz ZRYSAKPPADLMQN-INIZCTEOSA-N 2 0 353.511 0.870 20 0 FCADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925042759 673774884 /nfs/dbraw/zinc/77/48/84/673774884.db2.gz VLASLCQIFRRUES-RDJZCZTQSA-N 2 0 372.579 0.805 20 0 FCADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925811423 673805063 /nfs/dbraw/zinc/80/50/63/673805063.db2.gz ILZHGOSIGOQTMI-RCCFBDPRSA-N 2 0 367.515 0.853 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926129390 673812423 /nfs/dbraw/zinc/81/24/23/673812423.db2.gz DBSJXRDGNPQCOM-CQSZACIVSA-N 2 0 350.467 0.725 20 0 FCADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000926166213 673814594 /nfs/dbraw/zinc/81/45/94/673814594.db2.gz VAULERSZFAFKDS-VDCDIQELSA-N 2 0 353.507 0.551 20 0 FCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927636188 673872774 /nfs/dbraw/zinc/87/27/74/673872774.db2.gz KQOVSFRWPADDHB-INMHGKMJSA-N 2 0 354.495 0.336 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000968737863 675228017 /nfs/dbraw/zinc/22/80/17/675228017.db2.gz HWORQMWJQRVELW-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001014501313 675391282 /nfs/dbraw/zinc/39/12/82/675391282.db2.gz JHSDMGKIPAQVCX-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC(=O)N1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001015842076 675399323 /nfs/dbraw/zinc/39/93/23/675399323.db2.gz VIWXJGRLODOGQZ-AGERRDQYSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020174694 675436505 /nfs/dbraw/zinc/43/65/05/675436505.db2.gz MKWWFBIWISQGMY-OVYGPGRDSA-N 2 0 371.547 0.778 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001045444722 675654003 /nfs/dbraw/zinc/65/40/03/675654003.db2.gz GRRJHMOPFZSNPE-OAGGEKHMSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900014636 675659296 /nfs/dbraw/zinc/65/92/96/675659296.db2.gz MZKMSWRPARUWQI-SFHVURJKSA-N 2 0 354.539 0.876 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900687625 675707530 /nfs/dbraw/zinc/70/75/30/675707530.db2.gz VBZSJPZJXPCVGC-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000900812530 675719848 /nfs/dbraw/zinc/71/98/48/675719848.db2.gz WDYBHZFYRHOOIC-MSOLQXFVSA-N 2 0 353.555 0.543 20 0 FCADRP C[NH+]1CCC(CCO)(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000901345795 675784448 /nfs/dbraw/zinc/78/44/48/675784448.db2.gz FFMWLDZGOPDRET-UHFFFAOYSA-N 2 0 353.507 0.840 20 0 FCADRP CC(C)C[C@@H]1C[N@H+](C)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902543036 675858872 /nfs/dbraw/zinc/85/88/72/675858872.db2.gz OSBQGTFLXGSRCN-OAHLLOKOSA-N 2 0 351.495 0.622 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC)CC[N@@H+]1C ZINC001048525689 675859252 /nfs/dbraw/zinc/85/92/52/675859252.db2.gz IJVPGEQWZSWHLR-BQJWPVKWSA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001048529211 675859580 /nfs/dbraw/zinc/85/95/80/675859580.db2.gz JKWFFMPDEPKIJA-CVWVJMLGSA-N 2 0 350.507 0.950 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000988537242 1192267007 /nfs/dbraw/zinc/26/70/07/1192267007.db2.gz XSENVTBDUKQODP-BPQIPLTHSA-N 2 0 364.534 0.975 20 0 FCADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001167095937 1168204747 /nfs/dbraw/zinc/20/47/47/1168204747.db2.gz OXGVAHZSYDNOMY-SQNIBIBYSA-N 2 0 358.486 0.658 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001021235598 1168848011 /nfs/dbraw/zinc/84/80/11/1168848011.db2.gz JWFZVBPJYSWTRT-BMGDILEWSA-N 2 0 371.485 0.915 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104287320 1169155230 /nfs/dbraw/zinc/15/52/30/1169155230.db2.gz CKZVEHBEHQQRNA-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]21)C1CCC1 ZINC001021941945 1170330171 /nfs/dbraw/zinc/33/01/71/1170330171.db2.gz WMNBNTHLTNRUPM-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC1 ZINC001022034860 1170442273 /nfs/dbraw/zinc/44/22/73/1170442273.db2.gz CVWIZNAOHUXMPA-ZWKOTPCHSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCC4CC4)C[C@@H]32)cn1 ZINC001083220984 1170585592 /nfs/dbraw/zinc/58/55/92/1170585592.db2.gz DSKBTMTVSNORTC-ZWKOTPCHSA-N 2 0 361.490 0.770 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891656259 1170796127 /nfs/dbraw/zinc/79/61/27/1170796127.db2.gz VTXWZDMAENDPBT-IYBDPMFKSA-N 2 0 365.522 0.759 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691225847 1170870764 /nfs/dbraw/zinc/87/07/64/1170870764.db2.gz GZSLBVWUTLPNCK-UAGQMJEPSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001691258609 1170925579 /nfs/dbraw/zinc/92/55/79/1170925579.db2.gz HLSNRPPQLUVZQN-DZGCQCFKSA-N 2 0 367.494 0.176 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001691285618 1171034766 /nfs/dbraw/zinc/03/47/66/1171034766.db2.gz CUCZKLBASPBCDI-BPQIPLTHSA-N 2 0 363.506 0.682 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001691287264 1171041444 /nfs/dbraw/zinc/04/14/44/1171041444.db2.gz IBLKYPRQYDBZMT-KBAYOESNSA-N 2 0 366.506 0.014 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)CC1 ZINC001022514307 1171350108 /nfs/dbraw/zinc/35/01/08/1171350108.db2.gz IRHKHACPWFJTDG-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972797 1171368023 /nfs/dbraw/zinc/36/80/23/1171368023.db2.gz LISFSFMJJCPMJI-HKUYNNGSSA-N 2 0 359.518 0.959 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C[C@H]21 ZINC000972151861 1171804711 /nfs/dbraw/zinc/80/47/11/1171804711.db2.gz HLFDAWBFUNWFCT-OWCLPIDISA-N 2 0 359.474 0.884 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4ccnc4C)[C@@H]3C2)CC[N@@H+]1C ZINC000972257805 1171892905 /nfs/dbraw/zinc/89/29/05/1171892905.db2.gz UWYKWQVWSPLTCS-XMTFNYHQSA-N 2 0 373.501 0.981 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989062380 1192667932 /nfs/dbraw/zinc/66/79/32/1192667932.db2.gz VXHQSAYBWDIPIW-CVEARBPZSA-N 2 0 362.518 0.920 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1CC1 ZINC000897632333 1192838006 /nfs/dbraw/zinc/83/80/06/1192838006.db2.gz MYZQHIKNZMMIEO-OAHLLOKOSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000897649533 1192840033 /nfs/dbraw/zinc/84/00/33/1192840033.db2.gz TVEQATGXMLQKPS-HUUCEWRRSA-N 2 0 359.474 0.718 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000898005932 1192853779 /nfs/dbraw/zinc/85/37/79/1192853779.db2.gz LOZZMIMBQDOLHY-OAGGEKHMSA-N 2 0 371.485 0.860 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000898069728 1192856747 /nfs/dbraw/zinc/85/67/47/1192856747.db2.gz VDRGOOSMXSYEFA-DLBZAZTESA-N 2 0 373.501 0.967 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001691570548 1192887203 /nfs/dbraw/zinc/88/72/03/1192887203.db2.gz JEKIKKCLFLJXOG-SQNIBIBYSA-N 2 0 355.523 0.752 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001691578611 1192891625 /nfs/dbraw/zinc/89/16/25/1192891625.db2.gz GCUQUGUQHMURCT-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000550636550 1192891881 /nfs/dbraw/zinc/89/18/81/1192891881.db2.gz XHVHQWZXGLUEAA-QGZVFWFLSA-N 2 0 368.522 0.452 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892330034 1178889316 /nfs/dbraw/zinc/88/93/16/1178889316.db2.gz UBAIBULLOXFDAZ-INIZCTEOSA-N 2 0 359.474 0.329 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C)c1nnnn1C ZINC001104468557 1179074715 /nfs/dbraw/zinc/07/47/15/1179074715.db2.gz IJTLTLQQHZVPIN-QLFBSQMISA-N 2 0 360.466 0.632 20 0 FCADRP CCC1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)COC1 ZINC001143452054 1179362344 /nfs/dbraw/zinc/36/23/44/1179362344.db2.gz BWHTTZFKCMQVFJ-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493457 1179434507 /nfs/dbraw/zinc/43/45/07/1179434507.db2.gz ZFTLOTLUEVJGAF-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001023375068 1179501695 /nfs/dbraw/zinc/50/16/95/1179501695.db2.gz HCZATKVHTNHGNR-UHOSZYNNSA-N 2 0 367.534 0.944 20 0 FCADRP Cc1nn(C)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023451582 1179758456 /nfs/dbraw/zinc/75/84/56/1179758456.db2.gz QVLQSZFAVVDYBR-QGPMSJSTSA-N 2 0 363.506 0.776 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389539 1180211047 /nfs/dbraw/zinc/21/10/47/1180211047.db2.gz NMMBHIBYUVVWKZ-HOTGVXAUSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796912 1180325254 /nfs/dbraw/zinc/32/52/54/1180325254.db2.gz QKFPBQULOFZKQE-IXDOHACOSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023994118 1180730946 /nfs/dbraw/zinc/73/09/46/1180730946.db2.gz YYJATCNJQGGGNR-BZUAXINKSA-N 2 0 363.510 0.922 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001023993438 1180731386 /nfs/dbraw/zinc/73/13/86/1180731386.db2.gz FUMPQZJJDSCGEW-IJEWVQPXSA-N 2 0 361.494 0.676 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495538 1181345363 /nfs/dbraw/zinc/34/53/63/1181345363.db2.gz QVZIWPCVKBBMNR-CVEARBPZSA-N 2 0 365.522 0.713 20 0 FCADRP Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1O ZINC001024700549 1181491827 /nfs/dbraw/zinc/49/18/27/1181491827.db2.gz NIXGBWIIFZUNEC-HZPDHXFCSA-N 2 0 368.397 0.070 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001989 1181848057 /nfs/dbraw/zinc/84/80/57/1181848057.db2.gz WUOAMZIOMVNJSX-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CCC1 ZINC000972995107 1181867977 /nfs/dbraw/zinc/86/79/77/1181867977.db2.gz QNCVYILEDZNXAN-IAGOWNOFSA-N 2 0 362.518 0.872 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892584243 1181892911 /nfs/dbraw/zinc/89/29/11/1181892911.db2.gz YZBWMNXQUQTWMP-JCNLHEQBSA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892648677 1182003954 /nfs/dbraw/zinc/00/39/54/1182003954.db2.gz LMPRFQAOSONYID-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP CCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001745339222 1182038163 /nfs/dbraw/zinc/03/81/63/1182038163.db2.gz PXBOZMIITYXVPF-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104595217 1182259206 /nfs/dbraw/zinc/25/92/06/1182259206.db2.gz LQMAIMCXGNFZRH-ZIAGYGMSSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001104621598 1182291524 /nfs/dbraw/zinc/29/15/24/1182291524.db2.gz HPTXPEBVMVYBTI-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP CCCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625581 1182302564 /nfs/dbraw/zinc/30/25/64/1182302564.db2.gz SXRVXWNNWOVFRE-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001104691730 1182371382 /nfs/dbraw/zinc/37/13/82/1182371382.db2.gz TZLDHIKTUWLPLU-ZACQAIPSSA-N 2 0 368.522 0.260 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690502 1182371771 /nfs/dbraw/zinc/37/17/71/1182371771.db2.gz GVRLRPXVLGIGMH-KFWWJZLASA-N 2 0 369.510 0.247 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1)[NH+](C)C ZINC001104691181 1182371999 /nfs/dbraw/zinc/37/19/99/1182371999.db2.gz KTSYEBOXFLYURU-FMKPAKJESA-N 2 0 363.510 0.922 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000892704758 1182383774 /nfs/dbraw/zinc/38/37/74/1182383774.db2.gz NZHQGIGSLIESTN-ZWKOTPCHSA-N 2 0 373.501 0.824 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000892704752 1182383823 /nfs/dbraw/zinc/38/38/23/1182383823.db2.gz NZHQGIGSLIESTN-MSOLQXFVSA-N 2 0 373.501 0.824 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892775291 1182496220 /nfs/dbraw/zinc/49/62/20/1182496220.db2.gz ZJYHOQIHJDSALL-MRXNPFEDSA-N 2 0 368.522 0.680 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789598 1182506663 /nfs/dbraw/zinc/50/66/63/1182506663.db2.gz QSPLEWHITACAAC-IAGOWNOFSA-N 2 0 359.474 0.197 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCc5ncnn54)C[C@H]32)CC[N@@H+]1C ZINC001025795210 1182847186 /nfs/dbraw/zinc/84/71/86/1182847186.db2.gz YKLZTHQPZNSWKB-HOIZKXCTSA-N 2 0 358.490 0.542 20 0 FCADRP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000893052165 1182869991 /nfs/dbraw/zinc/86/99/91/1182869991.db2.gz CLDAVCFPZGKEIS-KRWDZBQOSA-N 2 0 365.522 0.273 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052489 1182870109 /nfs/dbraw/zinc/87/01/09/1182870109.db2.gz FOOXRUPGSWUHQI-FGTMMUONSA-N 2 0 365.522 0.271 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001104782231 1182916368 /nfs/dbraw/zinc/91/63/68/1182916368.db2.gz RRCFSNKPANNFII-RBSFLKMASA-N 2 0 364.494 0.006 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC1CC1 ZINC001104912198 1182992659 /nfs/dbraw/zinc/99/26/59/1182992659.db2.gz OFAVLZAERCBSCP-BZUAXINKSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010370 1183067443 /nfs/dbraw/zinc/06/74/43/1183067443.db2.gz IRXSLCRFLNOUFH-BRWVUGGUSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105010193 1183067628 /nfs/dbraw/zinc/06/76/28/1183067628.db2.gz BJASBSDSXLGTGF-RBSFLKMASA-N 2 0 363.462 0.639 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C[NH2+]CCCO ZINC001691774056 1183150938 /nfs/dbraw/zinc/15/09/38/1183150938.db2.gz LLKKTKHZYAIMQX-QZTJIDSGSA-N 2 0 355.523 0.942 20 0 FCADRP COC[C@H](O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001267947579 1183176185 /nfs/dbraw/zinc/17/61/85/1183176185.db2.gz XHWKIXRTNVBICH-BRWVUGGUSA-N 2 0 364.490 0.749 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC000974444445 1183215702 /nfs/dbraw/zinc/21/57/02/1183215702.db2.gz NAYNHSMPOCINAA-KZNAEPCWSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000975226709 1183788692 /nfs/dbraw/zinc/78/86/92/1183788692.db2.gz SDSLZRNJBMQULD-CGTJXYLNSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975227986 1183789865 /nfs/dbraw/zinc/78/98/65/1183789865.db2.gz XQXWGHAIYRFWEK-FRFSOERESA-N 2 0 359.474 0.662 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1 ZINC000975718019 1185634588 /nfs/dbraw/zinc/63/45/88/1185634588.db2.gz BKITWAOZARADSG-JQHSSLGASA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000976494272 1185966611 /nfs/dbraw/zinc/96/66/11/1185966611.db2.gz HQUMLXYXWYISQZ-YKPDLDGBSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001481468766 1186092685 /nfs/dbraw/zinc/09/26/85/1186092685.db2.gz KUAUKMFPYSPYAK-CEXWTWQISA-N 2 0 366.550 0.972 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000979871314 1186133387 /nfs/dbraw/zinc/13/33/87/1186133387.db2.gz JAPYLIKEVFKRGL-RTKZEXODSA-N 2 0 362.518 0.679 20 0 FCADRP CCn1cc(CC[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001027965372 1186240312 /nfs/dbraw/zinc/24/03/12/1186240312.db2.gz ADDUCYQDAWJMBH-BPQIPLTHSA-N 2 0 363.506 0.745 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC000981199871 1186348976 /nfs/dbraw/zinc/34/89/76/1186348976.db2.gz DUFXYNPCRBKEEM-OKZBNKHCSA-N 2 0 363.506 0.509 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001691501310 1186684605 /nfs/dbraw/zinc/68/46/05/1186684605.db2.gz MSNPDECWTVWOOT-MUIFIZLQSA-N 2 0 366.506 0.106 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211723298 1187471931 /nfs/dbraw/zinc/47/19/31/1187471931.db2.gz SMLNQRPSFLODGB-ZWKOTPCHSA-N 2 0 358.486 0.755 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839629 1187534206 /nfs/dbraw/zinc/53/42/06/1187534206.db2.gz LTCDVNXWNGEABO-IBGZPJMESA-N 2 0 358.490 0.543 20 0 FCADRP O=C(CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(c2ccccn2)CC1 ZINC000332956521 1187543932 /nfs/dbraw/zinc/54/39/32/1187543932.db2.gz AOEMIIYONUXVPV-CVEARBPZSA-N 2 0 357.458 0.473 20 0 FCADRP COc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582159 /nfs/dbraw/zinc/58/21/59/1187582159.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 0 360.458 0.454 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3nc(C4CC4)nn3C)C2)CC[N@@H+]1C ZINC001028548436 1187601422 /nfs/dbraw/zinc/60/14/22/1187601422.db2.gz AKCHJFJBEKYISG-IIAWOOMASA-N 2 0 360.506 0.971 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000983016244 1187815859 /nfs/dbraw/zinc/81/58/59/1187815859.db2.gz STPYDASXBIQSCL-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(=O)NC(C)(C)C)CC2)CC[N@@H+]1C ZINC001269415286 1187847483 /nfs/dbraw/zinc/84/74/83/1187847483.db2.gz CBNZILIPXXCXKA-CHWSQXEVSA-N 2 0 367.494 0.189 20 0 FCADRP CN(CC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1)C(N)=[NH2+] ZINC001269992340 1187961755 /nfs/dbraw/zinc/96/17/55/1187961755.db2.gz HLUGJFFXGUQTOG-GOSISDBHSA-N 2 0 360.462 0.427 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)C[NH+]2CCCCC2)C3)CC1 ZINC001270062597 1187984208 /nfs/dbraw/zinc/98/42/08/1187984208.db2.gz ZTFORCHKCHAXHN-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549994910 1188066231 /nfs/dbraw/zinc/06/62/31/1188066231.db2.gz PRLBMGOUNZTXFC-IYBDPMFKSA-N 2 0 368.522 0.591 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001270512172 1188182011 /nfs/dbraw/zinc/18/20/11/1188182011.db2.gz KNQHWOULARXJBV-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001270513550 1188182712 /nfs/dbraw/zinc/18/27/12/1188182712.db2.gz VWUKLCMRXVTAJG-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CCOC(=O)Cn1cc(CNC[C@@]2(O)CC[N@H+](C)C2)c(-c2cccnc2)n1 ZINC000894468847 1188221319 /nfs/dbraw/zinc/22/13/19/1188221319.db2.gz FRKCBZNKJZKBHX-IBGZPJMESA-N 2 0 373.457 0.664 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550093444 1188223051 /nfs/dbraw/zinc/22/30/51/1188223051.db2.gz FHORMSGCPZIDLH-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000550413852 1188367343 /nfs/dbraw/zinc/36/73/43/1188367343.db2.gz DQNGVLXCMBLLAO-QAPCUYQASA-N 2 0 360.502 0.874 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCN1CCNC1=O ZINC001087642400 1189691336 /nfs/dbraw/zinc/69/13/36/1189691336.db2.gz MZHOQBCMYQKQJB-DLBZAZTESA-N 2 0 370.457 0.942 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087659105 1189710971 /nfs/dbraw/zinc/71/09/71/1189710971.db2.gz MUGJWFMRHFVDLT-IXDOHACOSA-N 2 0 360.462 0.418 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087797991 1189828559 /nfs/dbraw/zinc/82/85/59/1189828559.db2.gz VBAUHLMDHDBTLU-LSDHHAIUSA-N 2 0 362.474 0.200 20 0 FCADRP CN(c1ccccc1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000895314853 1189832729 /nfs/dbraw/zinc/83/27/29/1189832729.db2.gz RVRTVLCDTUISGI-CALCHBBNSA-N 2 0 373.501 0.236 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3cncn3C)C2)CC[N@@H+]1C ZINC000984409944 1189838272 /nfs/dbraw/zinc/83/82/72/1189838272.db2.gz WLICMONADMLERA-BFYDXBDKSA-N 2 0 361.490 0.752 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964654 1190011438 /nfs/dbraw/zinc/01/14/38/1190011438.db2.gz VFBZBDNNJALRHH-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087967983 1190025582 /nfs/dbraw/zinc/02/55/82/1190025582.db2.gz VBWCVOVNUDAUFX-SQNIBIBYSA-N 2 0 358.490 0.400 20 0 FCADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969575 1190026168 /nfs/dbraw/zinc/02/61/68/1190026168.db2.gz CRWBGFLITZWNEW-ZACQAIPSSA-N 2 0 363.506 0.874 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000896630388 1190111057 /nfs/dbraw/zinc/11/10/57/1190111057.db2.gz WLCOIMSGPVOYDK-UHFFFAOYSA-N 2 0 364.534 0.583 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992811 1190143596 /nfs/dbraw/zinc/14/35/96/1190143596.db2.gz NRISTQRRJKHMNR-XHSDSOJGSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995059 1190148439 /nfs/dbraw/zinc/14/84/39/1190148439.db2.gz QEIQVCUDYBUVMV-IJEWVQPXSA-N 2 0 362.474 0.056 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1)N1CCC1 ZINC001088028005 1190268502 /nfs/dbraw/zinc/26/85/02/1190268502.db2.gz PTRKEDBBRHNQLE-SJORKVTESA-N 2 0 367.453 0.961 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037410 1190291708 /nfs/dbraw/zinc/29/17/08/1190291708.db2.gz LFFBHCXALPLNOD-ZNMIVQPWSA-N 2 0 368.441 0.535 20 0 FCADRP CC[NH+]1CCC(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001271217322 1190361575 /nfs/dbraw/zinc/36/15/75/1190361575.db2.gz HXWMHUUQOJPGNQ-UZLBHIALSA-N 2 0 362.518 0.920 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090680 1190542573 /nfs/dbraw/zinc/54/25/73/1190542573.db2.gz BFQRWJNRCFQRSF-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986190930 1190917356 /nfs/dbraw/zinc/91/73/56/1190917356.db2.gz AHZYMZXWBXJIJN-LTIDMASMSA-N 2 0 373.501 0.989 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]3C2)CCC1 ZINC000986256649 1190933658 /nfs/dbraw/zinc/93/36/58/1190933658.db2.gz KGDSLMCHCRGAMW-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(CN1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)[C@@H]2C1)N1CCC1 ZINC001075882314 1191058829 /nfs/dbraw/zinc/05/88/29/1191058829.db2.gz GHDACIFUPSQOPS-ARFHVFGLSA-N 2 0 357.458 0.526 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986681995 1191075309 /nfs/dbraw/zinc/07/53/09/1191075309.db2.gz WKWCJDYGJPZJRT-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000151814161 1191197803 /nfs/dbraw/zinc/19/78/03/1191197803.db2.gz LDCZTWDHTSUXIZ-KRWDZBQOSA-N 2 0 367.538 0.912 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCCN1CCCC1=O ZINC001088568703 1191206661 /nfs/dbraw/zinc/20/66/61/1191206661.db2.gz RGTALIHWYCRYRU-NXHRZFHOSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(CCN1CC[NH2+]CC1)c1ccc2nc(O[C@@H]3C[NH2+]CCOC3)oc2c1 ZINC001218042477 1224136988 /nfs/dbraw/zinc/13/69/88/1224136988.db2.gz PCFNWNYZOMPHGR-OAHLLOKOSA-N 2 0 374.441 0.673 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218083053 1224139459 /nfs/dbraw/zinc/13/94/59/1224139459.db2.gz NWQQLCIXKBNTRI-NSHDSACASA-N 2 0 364.446 0.672 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001218178138 1224145310 /nfs/dbraw/zinc/14/53/10/1224145310.db2.gz WIWWCTSVNWXTAV-GDNZZTSVSA-N 2 0 364.446 0.765 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4ccnc4C3)[C@H]2C1 ZINC001218195173 1224146896 /nfs/dbraw/zinc/14/68/96/1224146896.db2.gz FYMLRDDPAFWXRC-YESZJQIVSA-N 2 0 362.474 0.784 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218362802 1224155950 /nfs/dbraw/zinc/15/59/50/1224155950.db2.gz DSWJSJBOAJMSIY-IXDOHACOSA-N 2 0 369.506 0.170 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001691582156 1193736202 /nfs/dbraw/zinc/73/62/02/1193736202.db2.gz SLQPHHICDWBUHH-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccncc1Oc1ccccc1 ZINC001218511065 1224166423 /nfs/dbraw/zinc/16/64/23/1224166423.db2.gz BQGALIWCTUOHAD-INIZCTEOSA-N 2 0 355.442 0.985 20 0 FCADRP CCOC(=O)c1ncn2c1cccc2NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218531605 1224168683 /nfs/dbraw/zinc/16/86/83/1224168683.db2.gz SHDWWIRPGMVORC-KZULUSFZSA-N 2 0 357.414 0.649 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001691623586 1193815937 /nfs/dbraw/zinc/81/59/37/1193815937.db2.gz BZFAGNOADIMANN-LSDHHAIUSA-N 2 0 355.527 0.910 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550899671 1193819007 /nfs/dbraw/zinc/81/90/07/1193819007.db2.gz XOYQRVLJFVHTNA-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(N[C@@H]1CN(CCOc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466486 1193819875 /nfs/dbraw/zinc/81/98/75/1193819875.db2.gz WQVUVEYAJFIRIH-OTWHNJEPSA-N 2 0 359.470 0.569 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c(F)cccc1F ZINC000551132584 1193834596 /nfs/dbraw/zinc/83/45/96/1193834596.db2.gz PPXBOEAGPNFESO-UHFFFAOYSA-N 2 0 370.444 0.575 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551135278 1193834931 /nfs/dbraw/zinc/83/49/31/1193834931.db2.gz BZXPVMHTDWKZLK-GVDBMIGSSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CCOC1CCC1 ZINC001088757254 1193892496 /nfs/dbraw/zinc/89/24/96/1193892496.db2.gz PSKINMBUFFXMMZ-AHZKFYHPSA-N 2 0 363.502 0.998 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088770235 1193937145 /nfs/dbraw/zinc/93/71/45/1193937145.db2.gz DIVZSYMOJLMOHN-HYVNUMGLSA-N 2 0 363.506 0.465 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000552969371 1193962214 /nfs/dbraw/zinc/96/22/14/1193962214.db2.gz JIHHNIDBDHMKFU-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553097358 1193971546 /nfs/dbraw/zinc/97/15/46/1193971546.db2.gz ZRUYAFWIUROQLS-OAHLLOKOSA-N 2 0 370.538 0.839 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000553396869 1193993710 /nfs/dbraw/zinc/99/37/10/1193993710.db2.gz JQXSWGWDIUVHSI-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553599861 1194009499 /nfs/dbraw/zinc/00/94/99/1194009499.db2.gz LSLHDDZOVHZCFP-HNNXBMFYSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083506023 1194054676 /nfs/dbraw/zinc/05/46/76/1194054676.db2.gz MQILEBRVWMJIII-IKGGRYGDSA-N 2 0 366.506 0.035 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810266 1194063272 /nfs/dbraw/zinc/06/32/72/1194063272.db2.gz RPUGDJFLSINAQI-ZACQAIPSSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000842188416 1194084747 /nfs/dbraw/zinc/08/47/47/1194084747.db2.gz FOLQBLSYJJKGOX-UZLBHIALSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191501 1194086348 /nfs/dbraw/zinc/08/63/48/1194086348.db2.gz YUJTXLMZEPNEAC-OXQOHEQNSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765739 1194117061 /nfs/dbraw/zinc/11/70/61/1194117061.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 0 362.478 0.062 20 0 FCADRP Nc1cn(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)ccc1=[NH2+] ZINC001218694181 1224197066 /nfs/dbraw/zinc/19/70/66/1224197066.db2.gz SSCXIMAYVSYPHY-IRXDYDNUSA-N 2 0 353.426 0.669 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001218696288 1224197990 /nfs/dbraw/zinc/19/79/90/1224197990.db2.gz QVPOHMFNQSOCIM-FUHWJXTLSA-N 2 0 372.517 0.965 20 0 FCADRP Nc1cccnc1N(C(=O)[C@H]1CC[C@]2(C1)C[NH2+]CCO2)C1CC[NH2+]CC1 ZINC001218695057 1224198008 /nfs/dbraw/zinc/19/80/08/1224198008.db2.gz KIMKBKOLLFWGCS-LIRRHRJNSA-N 2 0 359.474 0.908 20 0 FCADRP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)c1 ZINC001218703144 1224199058 /nfs/dbraw/zinc/19/90/58/1224199058.db2.gz BFFBYMQCROXDKQ-HNNXBMFYSA-N 2 0 356.430 0.801 20 0 FCADRP COc1cc2cc(C(N)=O)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])nc2cc1OC ZINC001218711724 1224201670 /nfs/dbraw/zinc/20/16/70/1224201670.db2.gz SSMQXVXHQJWRKL-NSHDSACASA-N 2 0 361.402 0.356 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218712784 1224202547 /nfs/dbraw/zinc/20/25/47/1224202547.db2.gz PVASEUDQVXKKNN-UONOGXRCSA-N 2 0 357.414 0.724 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)c3cnc4n3CC[NH2+]CC4)cn2)CC1 ZINC001218727346 1224206150 /nfs/dbraw/zinc/20/61/50/1224206150.db2.gz VSBXHPPNHQTMFG-UHFFFAOYSA-N 2 0 355.446 0.604 20 0 FCADRP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001218736293 1224207013 /nfs/dbraw/zinc/20/70/13/1224207013.db2.gz WKTATEODWVMRIY-INIZCTEOSA-N 2 0 364.494 0.845 20 0 FCADRP CCN=c1ccc(N)cn1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218741275 1224208787 /nfs/dbraw/zinc/20/87/87/1224208787.db2.gz KJKYCGVPNIYWMA-GJZGRUSLSA-N 2 0 362.478 0.078 20 0 FCADRP [NH3+][C@H](C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1)C1CC[NH2+]CC1 ZINC001218744905 1224210258 /nfs/dbraw/zinc/21/02/58/1224210258.db2.gz OFFNSVNRIQVFPM-INIZCTEOSA-N 2 0 358.446 0.889 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC001218787310 1224218154 /nfs/dbraw/zinc/21/81/54/1224218154.db2.gz BVCCMHGQOCYSPE-GJZGRUSLSA-N 2 0 358.446 0.720 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569227 1194574011 /nfs/dbraw/zinc/57/40/11/1194574011.db2.gz OHOAUMBKMJDFPV-OKZBNKHCSA-N 2 0 356.470 0.770 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076605481 1194593412 /nfs/dbraw/zinc/59/34/12/1194593412.db2.gz BYAXCNIUNPOOHT-DLBZAZTESA-N 2 0 363.506 0.420 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844479 1224236650 /nfs/dbraw/zinc/23/66/50/1224236650.db2.gz DDKUBLPUUHMJTD-RYQLBKOJSA-N 2 0 369.506 0.170 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001218879401 1224243808 /nfs/dbraw/zinc/24/38/08/1224243808.db2.gz BTVBQDDDQGVUOF-BRWVUGGUSA-N 2 0 358.442 0.580 20 0 FCADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879713 1224244497 /nfs/dbraw/zinc/24/44/97/1224244497.db2.gz HFKAWWULFRWOHM-KRWDZBQOSA-N 2 0 368.437 0.946 20 0 FCADRP COC(=O)Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1F ZINC001218929323 1224261180 /nfs/dbraw/zinc/26/11/80/1224261180.db2.gz PBXYWNVDRODAJW-ZDUSSCGKSA-N 2 0 370.400 0.369 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)n1 ZINC001077014436 1195148201 /nfs/dbraw/zinc/14/82/01/1195148201.db2.gz WVHUYKNLSLNPNE-RTBURBONSA-N 2 0 371.485 0.462 20 0 FCADRP Cc1ncccc1CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970968 1224274963 /nfs/dbraw/zinc/27/49/63/1224274963.db2.gz QAVDNHSMUXIRTA-ZWKOTPCHSA-N 2 0 362.474 0.380 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001218971290 1224275115 /nfs/dbraw/zinc/27/51/15/1224275115.db2.gz WERYYBNNPGHEGI-IXDOHACOSA-N 2 0 369.506 0.291 20 0 FCADRP C[C@@H](c1cnccn1)N1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970125 1224275614 /nfs/dbraw/zinc/27/56/14/1224275614.db2.gz CXAINUSQZQCCIM-BHYGNILZSA-N 2 0 363.462 0.027 20 0 FCADRP COC(=O)C1(c2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc2)CC1 ZINC001218976231 1224276121 /nfs/dbraw/zinc/27/61/21/1224276121.db2.gz WQPYQFYHAOBWNF-MRXNPFEDSA-N 2 0 360.458 0.580 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275885 1195376632 /nfs/dbraw/zinc/37/66/32/1195376632.db2.gz ATWZFZXXPMWELI-BMGDILEWSA-N 2 0 358.442 0.844 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276103 1195376804 /nfs/dbraw/zinc/37/68/04/1195376804.db2.gz LVPKBACDJRSDKE-ZTFGCOKTSA-N 2 0 358.442 0.844 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994779 1224281621 /nfs/dbraw/zinc/28/16/21/1224281621.db2.gz OTHKZUJTIIKAIS-AWEZNQCLSA-N 2 0 354.414 0.556 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219000757 1224281951 /nfs/dbraw/zinc/28/19/51/1224281951.db2.gz AFQWXFMMGHSPHV-YESZJQIVSA-N 2 0 366.506 0.251 20 0 FCADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418079 1195517792 /nfs/dbraw/zinc/51/77/92/1195517792.db2.gz IEYQKZHDUBDKSO-KJBWJIBOSA-N 2 0 371.481 0.520 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418265 1195518334 /nfs/dbraw/zinc/51/83/34/1195518334.db2.gz LKCWSZSPASEAEI-SYJBPTKTSA-N 2 0 357.454 0.211 20 0 FCADRP COCCn1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000905004265 1195564155 /nfs/dbraw/zinc/56/41/55/1195564155.db2.gz FKNQSDOALHDXRF-CALCHBBNSA-N 2 0 362.478 0.962 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905154455 1195575947 /nfs/dbraw/zinc/57/59/47/1195575947.db2.gz PPBOJLDKRQWQMD-VQIMIIECSA-N 2 0 371.522 0.105 20 0 FCADRP Cn1ccc([C@@H]2CCCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)n1 ZINC000905718516 1195598992 /nfs/dbraw/zinc/59/89/92/1195598992.db2.gz OQRKVJIVJAPQJA-CQSZACIVSA-N 2 0 360.462 0.573 20 0 FCADRP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000906150965 1195616001 /nfs/dbraw/zinc/61/60/01/1195616001.db2.gz SDTCUZDSEBNVNL-GOSISDBHSA-N 2 0 373.545 0.807 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219016973 1224294352 /nfs/dbraw/zinc/29/43/52/1224294352.db2.gz REDYHVKZPFJBKW-QGZVFWFLSA-N 2 0 355.442 0.526 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906662165 1195643562 /nfs/dbraw/zinc/64/35/62/1195643562.db2.gz VJLGEUUELIFNAE-UHFFFAOYSA-N 2 0 361.490 0.568 20 0 FCADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000906785107 1195664675 /nfs/dbraw/zinc/66/46/75/1195664675.db2.gz DVBSIIVRXWGARN-XLIONFOSSA-N 2 0 374.529 0.886 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CC1 ZINC000910859667 1195852888 /nfs/dbraw/zinc/85/28/88/1195852888.db2.gz DGCUZSVATUXRFP-UHFFFAOYSA-N 2 0 368.566 0.955 20 0 FCADRP [NH3+]CC1(c2ccccc2)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000911073513 1195885957 /nfs/dbraw/zinc/88/59/57/1195885957.db2.gz SZNHQPBAJMXSHT-KRWDZBQOSA-N 2 0 370.497 0.858 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000911092332 1195887845 /nfs/dbraw/zinc/88/78/45/1195887845.db2.gz UJLGVACTRNQFQP-ZTFGCOKTSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911101242 1195889755 /nfs/dbraw/zinc/88/97/55/1195889755.db2.gz IVEYDBZWMVCVCI-ZBFHGGJFSA-N 2 0 359.474 0.673 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911144255 1195897773 /nfs/dbraw/zinc/89/77/73/1195897773.db2.gz AZXIDUFTKDJXCO-DLBZAZTESA-N 2 0 371.485 0.230 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000911166057 1195902592 /nfs/dbraw/zinc/90/25/92/1195902592.db2.gz UDVDWCZNGREINA-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911194482 1195908069 /nfs/dbraw/zinc/90/80/69/1195908069.db2.gz OBSBFFZGVSADJW-NJAFHUGGSA-N 2 0 358.486 0.820 20 0 FCADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911225559 1195923470 /nfs/dbraw/zinc/92/34/70/1195923470.db2.gz HIQOTUQNVQMMDD-KNXWPPODSA-N 2 0 362.518 0.968 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911253799 1195927172 /nfs/dbraw/zinc/92/71/72/1195927172.db2.gz ARTIJNSDKWDSLZ-HNNXBMFYSA-N 2 0 368.522 0.640 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644738 1195934184 /nfs/dbraw/zinc/93/41/84/1195934184.db2.gz UANOCCZDCBJDJU-MSOLQXFVSA-N 2 0 358.442 0.926 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000911366872 1195949044 /nfs/dbraw/zinc/94/90/44/1195949044.db2.gz STBZGDGOYLRGFE-MRXNPFEDSA-N 2 0 367.453 0.595 20 0 FCADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654352 1196347254 /nfs/dbraw/zinc/34/72/54/1196347254.db2.gz KCYXZAAGZJYHEF-BAXZCQIOSA-N 2 0 371.481 0.520 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)c21 ZINC000592465023 1196563780 /nfs/dbraw/zinc/56/37/80/1196563780.db2.gz MIBMLOROAYLIRV-LSDHHAIUSA-N 2 0 374.489 0.003 20 0 FCADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)c21 ZINC000592465021 1196563924 /nfs/dbraw/zinc/56/39/24/1196563924.db2.gz MIBMLOROAYLIRV-GJZGRUSLSA-N 2 0 374.489 0.003 20 0 FCADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ncn1 ZINC000594702751 1196734238 /nfs/dbraw/zinc/73/42/38/1196734238.db2.gz WQFAJYMUCIFDLD-LLDVTBCESA-N 2 0 374.489 0.840 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219163854 1224372207 /nfs/dbraw/zinc/37/22/07/1224372207.db2.gz KTVVWQWAIHOHCI-LBPRGKRZSA-N 2 0 367.402 0.802 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)c1 ZINC000913757766 1197124715 /nfs/dbraw/zinc/12/47/15/1197124715.db2.gz UBLXNNSFSXWDKR-QWFCFKBJSA-N 2 0 361.486 0.767 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106133486 1197168978 /nfs/dbraw/zinc/16/89/78/1197168978.db2.gz NBPYVLNTGVFGEY-ZIAGYGMSSA-N 2 0 367.494 0.130 20 0 FCADRP Nc1c(F)cccc1N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C1CC[NH2+]CC1 ZINC001219283117 1224413668 /nfs/dbraw/zinc/41/36/68/1224413668.db2.gz BNLWETFXBDFUPJ-HNNXBMFYSA-N 2 0 363.437 0.443 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283644 1224413786 /nfs/dbraw/zinc/41/37/86/1224413786.db2.gz WTPJTELHKDQKKC-XJKSGUPXSA-N 2 0 364.421 0.644 20 0 FCADRP CCOC(=O)C1(C(=O)N(c2cccc(F)c2N)C2CC[NH2+]CC2)C[NH2+]C1 ZINC001219283367 1224413880 /nfs/dbraw/zinc/41/38/80/1224413880.db2.gz LLKKIYWSJLRAMR-UHFFFAOYSA-N 2 0 364.421 0.646 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914221550 1197487038 /nfs/dbraw/zinc/48/70/38/1197487038.db2.gz YGHRMQWZHGLHGU-HNNXBMFYSA-N 2 0 369.510 0.933 20 0 FCADRP O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219301535 1224418948 /nfs/dbraw/zinc/41/89/48/1224418948.db2.gz ZAHHYQCZABNUIT-HNNXBMFYSA-N 2 0 364.421 0.225 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302903 1224419725 /nfs/dbraw/zinc/41/97/25/1224419725.db2.gz AOGKFDRYAHBYIS-HNNXBMFYSA-N 2 0 364.421 0.845 20 0 FCADRP Cn1cncc1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992935503 1197615741 /nfs/dbraw/zinc/61/57/41/1197615741.db2.gz CGPNJASCMVRLCK-BEFAXECRSA-N 2 0 359.474 0.365 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000992951779 1197628244 /nfs/dbraw/zinc/62/82/44/1197628244.db2.gz LLHZUODHFVGVDR-AXVVYFOYSA-N 2 0 362.518 0.729 20 0 FCADRP Nc1c(F)cccc1N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CC[C@H](O)CC1 ZINC001219323614 1224427303 /nfs/dbraw/zinc/42/73/03/1224427303.db2.gz PHDYGWHCWGINTD-IHRRRGAJSA-N 2 0 362.449 0.853 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106198531 1197660957 /nfs/dbraw/zinc/66/09/57/1197660957.db2.gz DTLUGMWWXJOVTO-BZUAXINKSA-N 2 0 371.501 0.376 20 0 FCADRP CC1(C)NC(=O)Nc2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc21 ZINC001219338288 1224432423 /nfs/dbraw/zinc/43/24/23/1224432423.db2.gz IPMFDRDJXUORLA-CQSZACIVSA-N 2 0 360.462 0.746 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743357 /nfs/dbraw/zinc/74/33/57/1197743357.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 2 0 365.522 0.317 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106249472 1197781476 /nfs/dbraw/zinc/78/14/76/1197781476.db2.gz ITANQDDLOIDTSS-KFWWJZLASA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106249718 1197783951 /nfs/dbraw/zinc/78/39/51/1197783951.db2.gz OWHCZOUNAIFWHS-LSBZLQRGSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106254993 1197790582 /nfs/dbraw/zinc/79/05/82/1197790582.db2.gz FAQLGBVUHQREEQ-HZPDHXFCSA-N 2 0 366.506 0.014 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1)[NH+](C)C ZINC001106308911 1197861527 /nfs/dbraw/zinc/86/15/27/1197861527.db2.gz HGTLKYYXGMNBBV-RBSFLKMASA-N 2 0 362.478 0.439 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C12CC[NH+](CC1)C2 ZINC001085395489 1197864049 /nfs/dbraw/zinc/86/40/49/1197864049.db2.gz OAKJWCJRBZEUKA-HUUCEWRRSA-N 2 0 362.474 0.248 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322095 1197865177 /nfs/dbraw/zinc/86/51/77/1197865177.db2.gz JFWPJSVWQVAMIQ-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000735591548 1197867886 /nfs/dbraw/zinc/86/78/86/1197867886.db2.gz FERYSEOGNRDGQJ-OAHLLOKOSA-N 2 0 373.501 0.976 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2 ZINC001219364275 1224443174 /nfs/dbraw/zinc/44/31/74/1224443174.db2.gz FHEVVLZMAYVMPA-KRWDZBQOSA-N 2 0 357.458 0.494 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106370811 1197884555 /nfs/dbraw/zinc/88/45/55/1197884555.db2.gz BFMISXCXOJCPTI-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2OCCN(CCn3ccnc3)[C@H]2C1)C1CCCC1 ZINC001273339206 1197931018 /nfs/dbraw/zinc/93/10/18/1197931018.db2.gz OSRDPPGTDWAIEI-ROUUACIJSA-N 2 0 361.490 0.669 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000737239950 1197962460 /nfs/dbraw/zinc/96/24/60/1197962460.db2.gz PQYPHZOIZIGEMM-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621375 1198037847 /nfs/dbraw/zinc/03/78/47/1198037847.db2.gz IFWLCTLSOWDNFH-NXHRZFHOSA-N 2 0 371.522 0.036 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001006289100 1198251887 /nfs/dbraw/zinc/25/18/87/1198251887.db2.gz PQCAUWQSDUNAEH-JJXSEGSLSA-N 2 0 359.474 0.932 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1CCC3(C[NH2+]C3)O1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501520 1224489364 /nfs/dbraw/zinc/48/93/64/1224489364.db2.gz VVLJYYATJIUKIU-LIRRHRJNSA-N 2 0 372.425 0.338 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@@H]1COCC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504986 1224491172 /nfs/dbraw/zinc/49/11/72/1224491172.db2.gz YVJHOQFAVRYTEJ-ZMZPIMSZSA-N 2 0 360.414 0.195 20 0 FCADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219537344 1224502569 /nfs/dbraw/zinc/50/25/69/1224502569.db2.gz LIJPSKTUONETKF-QEWYBTABSA-N 2 0 370.453 0.816 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538276 1224503015 /nfs/dbraw/zinc/50/30/15/1224503015.db2.gz WXVMQYQWTLSOSX-RRQGHBQHSA-N 3 0 372.469 0.526 20 0 FCADRP O=C(NCCN1CCCCC1=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219569231 1224512330 /nfs/dbraw/zinc/51/23/30/1224512330.db2.gz HWZCVTAQOOUZPF-SFHVURJKSA-N 2 0 370.497 0.837 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3cncc(N4CCC([NH3+])CC4)n3)n2)c1 ZINC001168877892 1199038316 /nfs/dbraw/zinc/03/83/16/1199038316.db2.gz HORBRTWAGVDKJX-UHFFFAOYSA-N 2 0 351.418 0.506 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219613094 1224528852 /nfs/dbraw/zinc/52/88/52/1224528852.db2.gz IYAQAPAZZUUWCQ-HEHGZKQESA-N 2 0 368.359 0.510 20 0 FCADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001219613095 1224529233 /nfs/dbraw/zinc/52/92/33/1224529233.db2.gz IYAQAPAZZUUWCQ-WOSRLPQWSA-N 2 0 368.359 0.510 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617970 1224529612 /nfs/dbraw/zinc/52/96/12/1224529612.db2.gz SPFONQMIOYHSFC-ZIFCJYIRSA-N 2 0 364.465 0.029 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652409 1224546169 /nfs/dbraw/zinc/54/61/69/1224546169.db2.gz YTBGLACSDQVKKI-SJORKVTESA-N 2 0 367.494 0.036 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001219666415 1224550569 /nfs/dbraw/zinc/55/05/69/1224550569.db2.gz IMVRTDFDOQCLII-HEHGZKQESA-N 2 0 358.446 0.366 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001219666417 1224550788 /nfs/dbraw/zinc/55/07/88/1224550788.db2.gz IMVRTDFDOQCLII-XEZPLFJOSA-N 2 0 358.446 0.366 20 0 FCADRP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219697741 1224563701 /nfs/dbraw/zinc/56/37/01/1224563701.db2.gz XKCIRWWWOWDANH-WIYYLYMNSA-N 3 0 372.513 0.329 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219696343 1224563786 /nfs/dbraw/zinc/56/37/86/1224563786.db2.gz ILJOCGAZAGWWPZ-HNNXBMFYSA-N 2 0 363.458 0.352 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739504 1224586033 /nfs/dbraw/zinc/58/60/33/1224586033.db2.gz QHIVODHBIXWZEF-QZTJIDSGSA-N 2 0 370.497 0.203 20 0 FCADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219739719 1224588100 /nfs/dbraw/zinc/58/81/00/1224588100.db2.gz VXTNGPOQVHWJLE-QGZVFWFLSA-N 2 0 369.469 0.457 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743325 1224589785 /nfs/dbraw/zinc/58/97/85/1224589785.db2.gz BWVUSWHXWKAADB-IRXDYDNUSA-N 2 0 374.485 0.090 20 0 FCADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219745740 1224591104 /nfs/dbraw/zinc/59/11/04/1224591104.db2.gz AMLXLQCPGSAHIG-LSDHHAIUSA-N 2 0 360.458 0.853 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219753381 1224595373 /nfs/dbraw/zinc/59/53/73/1224595373.db2.gz HBEPYPZTYBSFIP-FUHWJXTLSA-N 2 0 368.481 0.655 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC001219750439 1224596016 /nfs/dbraw/zinc/59/60/16/1224596016.db2.gz BDNIYTGWQASXEN-OAHLLOKOSA-N 2 0 356.430 0.442 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219754765 1224597146 /nfs/dbraw/zinc/59/71/46/1224597146.db2.gz YKCRTJJKGJAGHD-ZWKOTPCHSA-N 3 0 354.498 0.986 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001109464030 1200301596 /nfs/dbraw/zinc/30/15/96/1200301596.db2.gz IFTOVXCZVIBNKZ-QZWWFDLISA-N 2 0 371.522 0.462 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771966 1224606028 /nfs/dbraw/zinc/60/60/28/1224606028.db2.gz UXGITQSUJAOHAD-SUNYJGFJSA-N 2 0 372.485 0.328 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219774959 1224607500 /nfs/dbraw/zinc/60/75/00/1224607500.db2.gz GEUSFSSENBRIKU-MGPUTAFESA-N 2 0 354.454 0.744 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001109651034 1200444357 /nfs/dbraw/zinc/44/43/57/1200444357.db2.gz FXVAPLWYBLQJCP-NCOADZHNSA-N 2 0 361.490 0.307 20 0 FCADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822345 1200545927 /nfs/dbraw/zinc/54/59/27/1200545927.db2.gz KFIMEINOTUQRHP-RANZSIQMSA-N 2 0 363.506 0.941 20 0 FCADRP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847701 1200559779 /nfs/dbraw/zinc/55/97/79/1200559779.db2.gz CRXCFPCBNBWKSK-QZWWFDLISA-N 2 0 364.490 0.051 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000771317708 1200560251 /nfs/dbraw/zinc/56/02/51/1200560251.db2.gz WRSSLIJFAAKSRK-DLBZAZTESA-N 2 0 367.538 0.565 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109979929 1200664940 /nfs/dbraw/zinc/66/49/40/1200664940.db2.gz FSJOMDXHMYQITN-SQNIBIBYSA-N 2 0 363.506 0.800 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129393078 1200677366 /nfs/dbraw/zinc/67/73/66/1200677366.db2.gz AMTCAUTUQSFSHX-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001110018000 1200709649 /nfs/dbraw/zinc/70/96/49/1200709649.db2.gz WTHGQYHWEVEUEI-SQNIBIBYSA-N 2 0 368.522 0.593 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809861 1224628906 /nfs/dbraw/zinc/62/89/06/1224628906.db2.gz TZMKJOSVXFEKAX-KRWDZBQOSA-N 2 0 357.458 0.832 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812716 1224630315 /nfs/dbraw/zinc/63/03/15/1224630315.db2.gz HLTVDOMDTTWJLI-QRFRQXIXSA-N 2 0 369.469 0.153 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551992 1200773378 /nfs/dbraw/zinc/77/33/78/1200773378.db2.gz ZWUAHTMEASOODV-NSHGMRRFSA-N 2 0 367.534 0.944 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112548482 1200773868 /nfs/dbraw/zinc/77/38/68/1200773868.db2.gz CCCNPZGKAVAPJS-DOXZYTNZSA-N 2 0 364.490 0.352 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112548742 1200774517 /nfs/dbraw/zinc/77/45/17/1200774517.db2.gz OYJXSEOVMHQUBV-KSSFIOAISA-N 2 0 367.494 0.002 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219814398 1224631126 /nfs/dbraw/zinc/63/11/26/1224631126.db2.gz CIOJJQHQDBEPKT-GIYDNNGJSA-N 2 0 356.470 0.065 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830499 1224642797 /nfs/dbraw/zinc/64/27/97/1224642797.db2.gz YEWMHADFGAWRKI-KSZLIROESA-N 2 0 363.506 0.481 20 0 FCADRP COc1ccc(C2(C(=O)NC[C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CC[NH2+]CC2)cc1 ZINC001219831548 1224643413 /nfs/dbraw/zinc/64/34/13/1224643413.db2.gz OJAQSBWHVPBJTP-OLMNPRSZSA-N 2 0 359.470 0.810 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)N2CCC([NH3+])CC2)cc1 ZINC001219831760 1224643527 /nfs/dbraw/zinc/64/35/27/1224643527.db2.gz XHPWOKZOZTYPLL-LMCOJAPRSA-N 2 0 372.513 0.952 20 0 FCADRP Cc1ccc([C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)N2CCC[NH2+]CC2)cc1 ZINC001219831750 1224644247 /nfs/dbraw/zinc/64/42/47/1224644247.db2.gz XBJORXCXPVKHAM-YSTOQKLRSA-N 2 0 372.513 0.825 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001219834147 1224645215 /nfs/dbraw/zinc/64/52/15/1224645215.db2.gz OLFGMFLKAHFDFG-SAJDGTNDSA-N 2 0 373.497 0.891 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cccc(N2CC[NH2+]CC2)c1 ZINC001219843729 1224649967 /nfs/dbraw/zinc/64/99/67/1224649967.db2.gz BQIPACIUATZILF-UZLBHIALSA-N 2 0 374.485 0.221 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851893 1224653668 /nfs/dbraw/zinc/65/36/68/1224653668.db2.gz HOKUYKCDVCRHDB-PCODUJHASA-N 2 0 354.454 0.845 20 0 FCADRP Cn1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170392213 1201208703 /nfs/dbraw/zinc/20/87/03/1201208703.db2.gz FERLPZNNYFEWLW-WAXYHTEFSA-N 2 0 369.510 0.694 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncnc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170393023 1201209024 /nfs/dbraw/zinc/20/90/24/1201209024.db2.gz JEDTXROBPNHPEK-SRQBIAJPSA-N 2 0 367.494 0.750 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000793703313 1201258807 /nfs/dbraw/zinc/25/88/07/1201258807.db2.gz UMTGXFCPONKLFV-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396402 1201295696 /nfs/dbraw/zinc/29/56/96/1201295696.db2.gz BIJLAABHAPZRSX-BBWFWOEESA-N 2 0 366.510 0.513 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129406822 1201296372 /nfs/dbraw/zinc/29/63/72/1201296372.db2.gz ADULKJNGIWACQV-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129411760 1201298926 /nfs/dbraw/zinc/29/89/26/1201298926.db2.gz FAEQLVZVQODNRJ-CVEARBPZSA-N 2 0 361.450 0.022 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129878751 1201411459 /nfs/dbraw/zinc/41/14/59/1201411459.db2.gz CQSDZYQYIPBQMR-XHSDSOJGSA-N 2 0 370.473 0.336 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910214 1201422566 /nfs/dbraw/zinc/42/25/66/1201422566.db2.gz IOMNCKSNEMNCKJ-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912578 1201423914 /nfs/dbraw/zinc/42/39/14/1201423914.db2.gz PWQSIKLJBJEPHU-WCXIOVBPSA-N 2 0 364.494 0.529 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129918949 1201440621 /nfs/dbraw/zinc/44/06/21/1201440621.db2.gz NGVJRKFIBKKQJF-XHSDSOJGSA-N 2 0 364.494 0.386 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129918948 1201441031 /nfs/dbraw/zinc/44/10/31/1201441031.db2.gz NGVJRKFIBKKQJF-OAGGEKHMSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCCCC1 ZINC001129943176 1201442920 /nfs/dbraw/zinc/44/29/20/1201442920.db2.gz PUCNZBHFKWTIKU-CVEARBPZSA-N 2 0 364.494 0.124 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129924617 1201443583 /nfs/dbraw/zinc/44/35/83/1201443583.db2.gz CHEBGKKZGVUPIR-XYPHTWIQSA-N 2 0 369.429 0.616 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001129986721 1201468176 /nfs/dbraw/zinc/46/81/76/1201468176.db2.gz JSEJWPHARYRNMP-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130009472 1201477791 /nfs/dbraw/zinc/47/77/91/1201477791.db2.gz QNYOZEMXIJAION-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCCC1 ZINC001130034554 1201481944 /nfs/dbraw/zinc/48/19/44/1201481944.db2.gz SHDZCXZECFBULP-BBWFWOEESA-N 2 0 364.494 0.267 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130046669 1201485805 /nfs/dbraw/zinc/48/58/05/1201485805.db2.gz NLHSBOQPBPSIQQ-IKGGRYGDSA-N 2 0 366.510 0.368 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125609 1201507411 /nfs/dbraw/zinc/50/74/11/1201507411.db2.gz WUYXNDHWLGXRQJ-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123113 1201511324 /nfs/dbraw/zinc/51/13/24/1201511324.db2.gz GXMMRNCBHIKYJB-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001130220593 1201548071 /nfs/dbraw/zinc/54/80/71/1201548071.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 2 0 364.494 0.776 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001130237778 1201560087 /nfs/dbraw/zinc/56/00/87/1201560087.db2.gz DMBSCUDHZNDMSX-KKUMJFAQSA-N 2 0 364.494 0.635 20 0 FCADRP COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974615 1224710017 /nfs/dbraw/zinc/71/00/17/1224710017.db2.gz BFPYUQNIHLOHAB-CVEARBPZSA-N 2 0 361.442 0.900 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219981229 1224712739 /nfs/dbraw/zinc/71/27/39/1224712739.db2.gz ZXDHCBVOLBBVHC-ULQDDVLXSA-N 3 0 367.538 0.282 20 0 FCADRP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033788 1224733434 /nfs/dbraw/zinc/73/34/34/1224733434.db2.gz IVWKFBGNOAHGDT-AZXQYZHQSA-N 2 0 363.502 0.757 20 0 FCADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220043056 1224735464 /nfs/dbraw/zinc/73/54/64/1224735464.db2.gz CWRZFGIRIVDJBW-HNAYVOBHSA-N 2 0 352.442 0.496 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531954 1202710455 /nfs/dbraw/zinc/71/04/55/1202710455.db2.gz OERVCJAADSQTLQ-JQHSSLGASA-N 2 0 363.506 0.823 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130610836 1202730293 /nfs/dbraw/zinc/73/02/93/1202730293.db2.gz SRCZNJJTWSMBEG-YQQAZPJKSA-N 2 0 363.506 0.823 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130604999 1202733080 /nfs/dbraw/zinc/73/30/80/1202733080.db2.gz UHTWTUWWNMRENE-JQHSSLGASA-N 2 0 363.506 0.561 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000806501819 1202743110 /nfs/dbraw/zinc/74/31/10/1202743110.db2.gz GHKPAOKPPAPGOY-NVXWUHKLSA-N 2 0 359.474 0.719 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654952 1202744051 /nfs/dbraw/zinc/74/40/51/1202744051.db2.gz XJPWWKIGMDQOAY-DOTOQJQBSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC[C@H]2CCCO2)c1 ZINC001130670447 1202751609 /nfs/dbraw/zinc/75/16/09/1202751609.db2.gz YYPKHNNCPQZQGP-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130713022 1202760384 /nfs/dbraw/zinc/76/03/84/1202760384.db2.gz YYTPLMANAUXVRE-YQQAZPJKSA-N 2 0 361.490 0.435 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001131053834 1202854592 /nfs/dbraw/zinc/85/45/92/1202854592.db2.gz DBNJDLFSKZHQLY-MWDXBVQZSA-N 2 0 363.506 0.417 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313485 1202887991 /nfs/dbraw/zinc/88/79/91/1202887991.db2.gz UIIJTOVYFYTFAO-XHSDSOJGSA-N 2 0 364.490 0.844 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001131522617 1202911079 /nfs/dbraw/zinc/91/10/79/1202911079.db2.gz PWNLRALUWXIRLZ-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131538625 1202912934 /nfs/dbraw/zinc/91/29/34/1202912934.db2.gz QELDOWUDVMSBJN-TVFCKZIOSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1 ZINC001131555634 1202913330 /nfs/dbraw/zinc/91/33/30/1202913330.db2.gz OZXYKYRAVJPORK-APWZRJJASA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131555783 1202913465 /nfs/dbraw/zinc/91/34/65/1202913465.db2.gz WYVOEJJJLJGDJN-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP C[N@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001131564336 1202914797 /nfs/dbraw/zinc/91/47/97/1202914797.db2.gz IEVVKTFYPXGNDN-QAPCUYQASA-N 2 0 368.522 0.435 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001131564754 1202914850 /nfs/dbraw/zinc/91/48/50/1202914850.db2.gz UOTWBHXUMPTMGW-NUJGCVRESA-N 2 0 366.506 0.155 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086697041 1202970294 /nfs/dbraw/zinc/97/02/94/1202970294.db2.gz LJBNMHPZCSEVNS-USXIJHARSA-N 2 0 363.506 0.228 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)n1 ZINC001086699022 1202974318 /nfs/dbraw/zinc/97/43/18/1202974318.db2.gz OISCSZCHTHDIKS-JKSUJKDBSA-N 2 0 371.489 0.923 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086700639 1202975275 /nfs/dbraw/zinc/97/52/75/1202975275.db2.gz CXWZKVVOHSUPDN-VVLHAWIVSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813324738 1202993301 /nfs/dbraw/zinc/99/33/01/1202993301.db2.gz ANHNCXCWERXVDT-CQSZACIVSA-N 2 0 359.474 0.895 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cn1 ZINC001086731660 1203052719 /nfs/dbraw/zinc/05/27/19/1203052719.db2.gz XABWBXOYGPHDTM-AETAKHFUSA-N 2 0 361.490 0.879 20 0 FCADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1)c1nnnn1C ZINC001086744787 1203068428 /nfs/dbraw/zinc/06/84/28/1203068428.db2.gz LIBUYMXQVFQPMH-SOUVJXGZSA-N 2 0 361.494 0.774 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086784957 1203092537 /nfs/dbraw/zinc/09/25/37/1203092537.db2.gz CTZZYTOOPYGOGX-ARFHVFGLSA-N 2 0 364.494 0.299 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001170874368 1203110515 /nfs/dbraw/zinc/11/05/15/1203110515.db2.gz IQKNJJCFFKAEPH-NVXWUHKLSA-N 2 0 360.458 0.731 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817927174 1203124712 /nfs/dbraw/zinc/12/47/12/1203124712.db2.gz YJSOBJWIWQEIER-NRFANRHFSA-N 2 0 372.513 0.974 20 0 FCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000054938301 1203177531 /nfs/dbraw/zinc/17/75/31/1203177531.db2.gz IFVIJVCZSGXHKI-MRXNPFEDSA-N 2 0 359.474 0.587 20 0 FCADRP Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(=O)n(-c2ccccc2)n1C ZINC001220111017 1224771792 /nfs/dbraw/zinc/77/17/92/1224771792.db2.gz HMAQAHLZTMBAJS-AUUYWEPGSA-N 2 0 355.442 0.622 20 0 FCADRP CN1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822973092 1203243183 /nfs/dbraw/zinc/24/31/83/1203243183.db2.gz QJGPNGMZHLTZEJ-CQSZACIVSA-N 2 0 372.429 0.050 20 0 FCADRP O=C([C@H]1[C@H](O)CCN1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670000 1203322935 /nfs/dbraw/zinc/32/29/35/1203322935.db2.gz KHVUJNUIBSYKRT-IAGOWNOFSA-N 2 0 353.426 0.417 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143682246 1203325220 /nfs/dbraw/zinc/32/52/20/1203325220.db2.gz VGLPCAPDDMKGPT-DLBZAZTESA-N 2 0 361.490 0.686 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143682249 1203325330 /nfs/dbraw/zinc/32/53/30/1203325330.db2.gz VGLPCAPDDMKGPT-SJORKVTESA-N 2 0 361.490 0.686 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885051 1203331894 /nfs/dbraw/zinc/33/18/94/1203331894.db2.gz BVORLJMVQMSSNI-DLBZAZTESA-N 2 0 360.458 0.160 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844186316 1203338717 /nfs/dbraw/zinc/33/87/17/1203338717.db2.gz WUHTZFTWAIJXJX-QGZVFWFLSA-N 2 0 362.474 0.363 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220225542 1224809041 /nfs/dbraw/zinc/80/90/41/1224809041.db2.gz HGFPJIXYXLIALV-LPHOPBHVSA-N 2 0 371.441 0.213 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)CC1 ZINC001220227195 1224809392 /nfs/dbraw/zinc/80/93/92/1224809392.db2.gz KUDSQFGIQGVZSN-MSOLQXFVSA-N 2 0 361.486 0.959 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001220306112 1224824417 /nfs/dbraw/zinc/82/44/17/1224824417.db2.gz CJYNBBZXUGHSDQ-WIYYLYMNSA-N 2 0 371.529 0.466 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccco2)CC1 ZINC001220316642 1224827056 /nfs/dbraw/zinc/82/70/56/1224827056.db2.gz RYWLDMVURDWQQU-VDZJLULYSA-N 2 0 362.474 0.771 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)CN(C)C(N)=[NH2+] ZINC001144141246 1204424837 /nfs/dbraw/zinc/42/48/37/1204424837.db2.gz WQTIFBLEMDPJSL-UHFFFAOYSA-N 2 0 362.478 0.989 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342584 1224834212 /nfs/dbraw/zinc/83/42/12/1224834212.db2.gz HDWXYSZHKCGGPS-ZACQAIPSSA-N 2 0 364.490 0.167 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)CC[NH+](C)CC1 ZINC001220346056 1224836641 /nfs/dbraw/zinc/83/66/41/1224836641.db2.gz XJSSHZJIFRUBSV-HNNXBMFYSA-N 2 0 373.457 0.576 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001220347376 1224837687 /nfs/dbraw/zinc/83/76/87/1224837687.db2.gz DHLKJBAXFBUMHC-YOEHRIQHSA-N 2 0 355.486 0.892 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355559 1224841161 /nfs/dbraw/zinc/84/11/61/1224841161.db2.gz UTMZLPBZNSWPBL-UHOSZYNNSA-N 2 0 361.486 0.959 20 0 FCADRP N[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CCC[NH2+]C1 ZINC001220358590 1224842446 /nfs/dbraw/zinc/84/24/46/1224842446.db2.gz VEANHVNHNJNZFJ-SQGPQFPESA-N 2 0 374.485 0.643 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)cc1=O ZINC001091531907 1204702990 /nfs/dbraw/zinc/70/29/90/1204702990.db2.gz YQTTZODLUCWUEV-HLIPFELVSA-N 2 0 358.486 0.760 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369886 1224846030 /nfs/dbraw/zinc/84/60/30/1224846030.db2.gz WFMIGKHHNSEEAP-XHSDSOJGSA-N 2 0 368.522 0.042 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CCn4cncn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091687058 1204822750 /nfs/dbraw/zinc/82/27/50/1204822750.db2.gz MRGWKMANWSWCBV-NTDBWNAOSA-N 2 0 360.506 0.789 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721174 1204832821 /nfs/dbraw/zinc/83/28/21/1204832821.db2.gz USFJWIQWTCIGON-AYBZRNKSSA-N 2 0 360.506 0.970 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721265 1204832988 /nfs/dbraw/zinc/83/29/88/1204832988.db2.gz YDXZJYDOXZXHEI-SUMDDJOVSA-N 2 0 360.506 0.970 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091758793 1204843503 /nfs/dbraw/zinc/84/35/03/1204843503.db2.gz KNHJGYODDYTKSV-KPFFTGBYSA-N 2 0 364.534 0.975 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001086854538 1204852953 /nfs/dbraw/zinc/85/29/53/1204852953.db2.gz CVPUEZVLJWKNAK-ARFHVFGLSA-N 2 0 358.490 0.736 20 0 FCADRP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086875566 1204858705 /nfs/dbraw/zinc/85/87/05/1204858705.db2.gz XLIXJGHQBYBQBV-ARFHVFGLSA-N 2 0 363.510 0.799 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001086970991 1204870713 /nfs/dbraw/zinc/87/07/13/1204870713.db2.gz RLROKVZXJFXINX-IPMKNSEASA-N 2 0 368.485 0.994 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2[NH2+]CCO)cn1 ZINC001086983971 1204879032 /nfs/dbraw/zinc/87/90/32/1204879032.db2.gz RVFALAJWZJDGIE-DLBZAZTESA-N 2 0 361.490 0.172 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086993146 1204884439 /nfs/dbraw/zinc/88/44/39/1204884439.db2.gz JAAZOHQOCAOQHA-RYQLBKOJSA-N 2 0 363.506 0.418 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087003047 1204890988 /nfs/dbraw/zinc/89/09/88/1204890988.db2.gz BDJJTJAUFZLSBP-BPQIPLTHSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087009517 1204896990 /nfs/dbraw/zinc/89/69/90/1204896990.db2.gz KEFQEEDXIONOJM-JCGIZDLHSA-N 2 0 371.489 0.190 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087054595 1204935527 /nfs/dbraw/zinc/93/55/27/1204935527.db2.gz SAVYLAQOGLMIAR-HYVNUMGLSA-N 2 0 363.462 0.365 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087059451 1204943590 /nfs/dbraw/zinc/94/35/90/1204943590.db2.gz GVDUHOHWDWAOAR-GDBMZVCRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087059826 1204944511 /nfs/dbraw/zinc/94/45/11/1204944511.db2.gz XCLCLCMUMLGLGO-BFYDXBDKSA-N 2 0 364.494 0.406 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087062775 1204949722 /nfs/dbraw/zinc/94/97/22/1204949722.db2.gz UPQUHNXLZRIAFU-DJIMGWMZSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087062800 1204950100 /nfs/dbraw/zinc/95/01/00/1204950100.db2.gz VYEAFERXQAEVAQ-DJIMGWMZSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083472 1204970074 /nfs/dbraw/zinc/97/00/74/1204970074.db2.gz GYOHKKLQLSIMTK-GDBMZVCRSA-N 2 0 365.478 0.755 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083909 1204972197 /nfs/dbraw/zinc/97/21/97/1204972197.db2.gz XLFFUMFNZLZUKA-BFYDXBDKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087096316 1205003729 /nfs/dbraw/zinc/00/37/29/1205003729.db2.gz IKYBVNCELJWCJV-BFYDXBDKSA-N 2 0 365.478 0.673 20 0 FCADRP Cc1c(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807821 1205021122 /nfs/dbraw/zinc/02/11/22/1205021122.db2.gz RMPXMBMCKLSDSK-ZTQAJYAQSA-N 2 0 367.453 0.925 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)C1=O ZINC001091818677 1205042190 /nfs/dbraw/zinc/04/21/90/1205042190.db2.gz JVIKGALPGAMOQP-MDZRGWNJSA-N 2 0 360.502 0.626 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011224 1205112342 /nfs/dbraw/zinc/11/23/42/1205112342.db2.gz UHKWUKFJVXEYNU-MDZRGWNJSA-N 2 0 363.506 0.276 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203455 1205197828 /nfs/dbraw/zinc/19/78/28/1205197828.db2.gz QWTGTBDHHUWIRK-APWZRJJASA-N 2 0 357.502 0.839 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092275163 1205222461 /nfs/dbraw/zinc/22/24/61/1205222461.db2.gz ROIRGCKISYJIQO-GJYPPUQNSA-N 2 0 358.490 0.642 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301380 1205234623 /nfs/dbraw/zinc/23/46/23/1205234623.db2.gz GCADJLOZGJARFX-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)C[C@H](O)C[NH3+])nc3ccc(C)cc3n12 ZINC001220456271 1224877967 /nfs/dbraw/zinc/87/79/67/1224877967.db2.gz JCCATRHLAITNJD-ZDUSSCGKSA-N 2 0 356.430 0.501 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676432 1205336717 /nfs/dbraw/zinc/33/67/17/1205336717.db2.gz YBZBIKBYYOJVQZ-FGTMMUONSA-N 2 0 364.534 0.881 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H](NCc2ccccc2)C(C)(C)[NH3+])CC[NH2+]C1 ZINC001220521222 1224903762 /nfs/dbraw/zinc/90/37/62/1224903762.db2.gz AMPCFRCPXMPQBS-QGZVFWFLSA-N 2 0 374.485 0.809 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H](COCc2ccccc2)[NH2+]C)CC[NH2+]C1 ZINC001220521824 1224905244 /nfs/dbraw/zinc/90/52/44/1224905244.db2.gz PZOHOKAWJFQVLY-KRWDZBQOSA-N 2 0 361.442 0.718 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC(=O)OC2CCCCC2)CC[NH2+]C1 ZINC001220521844 1224905305 /nfs/dbraw/zinc/90/53/05/1224905305.db2.gz QJMSXLPLTBLVJJ-AWEZNQCLSA-N 2 0 367.446 0.506 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093282342 1206072132 /nfs/dbraw/zinc/07/21/32/1206072132.db2.gz WPSRGEKERRPQKH-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093287775 1206072968 /nfs/dbraw/zinc/07/29/68/1206072968.db2.gz HUNPQOSKMOLVRA-IIAWOOMASA-N 2 0 359.474 0.724 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001093673219 1206099474 /nfs/dbraw/zinc/09/94/74/1206099474.db2.gz MJEUHKQOYICQQB-QGPMSJSTSA-N 2 0 360.506 0.966 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093821338 1206123432 /nfs/dbraw/zinc/12/34/32/1206123432.db2.gz ZYRIGDPEMMFSBD-BRWVUGGUSA-N 2 0 362.522 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093824295 1206123871 /nfs/dbraw/zinc/12/38/71/1206123871.db2.gz OKTDMPRWPLPQST-XPKDYRNWSA-N 2 0 364.494 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093890256 1206144697 /nfs/dbraw/zinc/14/46/97/1206144697.db2.gz BRNXBPOIGSOQIL-KFWWJZLASA-N 2 0 362.474 0.104 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093894068 1206152133 /nfs/dbraw/zinc/15/21/33/1206152133.db2.gz GJCGAQHOSCJAQZ-UKRRQHHQSA-N 2 0 353.430 0.961 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093942163 1206155608 /nfs/dbraw/zinc/15/56/08/1206155608.db2.gz TYZBDTYPRIYMMK-QGPMSJSTSA-N 2 0 360.506 0.874 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001094042142 1206174225 /nfs/dbraw/zinc/17/42/25/1206174225.db2.gz LHCIXOGLWWRWEF-ARFHVFGLSA-N 2 0 363.510 0.609 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094220799 1206203350 /nfs/dbraw/zinc/20/33/50/1206203350.db2.gz WCVZQFVQGDHZMV-RBSFLKMASA-N 2 0 362.474 0.883 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094221088 1206203665 /nfs/dbraw/zinc/20/36/65/1206203665.db2.gz OSOZRCZSILGKRK-ZIAGYGMSSA-N 2 0 370.448 0.823 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCCC2=O)CC3)C1 ZINC001094577033 1206239666 /nfs/dbraw/zinc/23/96/66/1206239666.db2.gz AFIISFUDSDJRLG-MBOZVWFJSA-N 2 0 362.518 0.921 20 0 FCADRP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173106763 1206265395 /nfs/dbraw/zinc/26/53/95/1206265395.db2.gz CSBXJBNCTVTAFY-UHFFFAOYSA-N 2 0 370.494 0.025 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1cn(Cc2ccccc2)nn1 ZINC001178328591 1206355869 /nfs/dbraw/zinc/35/58/69/1206355869.db2.gz ASQPNHQVCUZYCK-UHFFFAOYSA-N 2 0 357.462 0.933 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001178523448 1206358949 /nfs/dbraw/zinc/35/89/49/1206358949.db2.gz ZMTRACGNWZNJRI-KZNAEPCWSA-N 2 0 365.522 0.850 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCc3ccco3)[C@@H]2C)CC[N@@H+]1C ZINC001178730809 1206363585 /nfs/dbraw/zinc/36/35/85/1206363585.db2.gz DUKHKOCGSXCFLC-WTTBNOFXSA-N 2 0 362.474 0.815 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220583366 1224949844 /nfs/dbraw/zinc/94/98/44/1224949844.db2.gz VYJAGASHCIQNFF-QRVBRYPASA-N 2 0 363.502 0.747 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181588606 1206411933 /nfs/dbraw/zinc/41/19/33/1206411933.db2.gz OFLVAXHYVGKFEQ-NXVNZYLDSA-N 2 0 373.494 0.071 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2(C)CC[NH+](C)CC2)CC3)CC1 ZINC001181985828 1206418078 /nfs/dbraw/zinc/41/80/78/1206418078.db2.gz JTCMKOCXPNJDHP-UHFFFAOYSA-N 2 0 374.533 0.705 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001181980191 1206418153 /nfs/dbraw/zinc/41/81/53/1206418153.db2.gz XXMMBAVYFUAPCS-QGZVFWFLSA-N 2 0 374.533 0.703 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001181994780 1206418576 /nfs/dbraw/zinc/41/85/76/1206418576.db2.gz SLTHHMBVUJGBSC-SFHVURJKSA-N 2 0 361.490 0.818 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccc(O)cc3)C2)CC[N@@H+]1C ZINC001182684966 1206442411 /nfs/dbraw/zinc/44/24/11/1206442411.db2.gz WWKAGAICNKJBOS-FRFSOERESA-N 2 0 360.458 0.861 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001185251749 1206476912 /nfs/dbraw/zinc/47/69/12/1206476912.db2.gz OUJUGSWISWOSIR-WSTZPKSXSA-N 2 0 364.534 0.439 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001220651460 1224990780 /nfs/dbraw/zinc/99/07/80/1224990780.db2.gz LACDFLKLPCNUED-UZLBHIALSA-N 2 0 358.486 0.871 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)C1 ZINC001220651954 1224990973 /nfs/dbraw/zinc/99/09/73/1224990973.db2.gz STSFUKFXZRAVKF-KRWDZBQOSA-N 2 0 359.518 0.785 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001187944499 1207403722 /nfs/dbraw/zinc/40/37/22/1207403722.db2.gz JPGDPTIDZPGVOR-RCCFBDPRSA-N 2 0 360.502 0.387 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)[C@@H]2C1 ZINC001188205286 1207433758 /nfs/dbraw/zinc/43/37/58/1207433758.db2.gz JMQFLLMQDYYKPJ-ARFHVFGLSA-N 2 0 359.474 0.772 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COCc2ccccc21 ZINC001220657914 1224995914 /nfs/dbraw/zinc/99/59/14/1224995914.db2.gz LYPVQBCGCGSLNU-KSZLIROESA-N 2 0 374.485 0.821 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405856 1207454801 /nfs/dbraw/zinc/45/48/01/1207454801.db2.gz QUFXXZWZDRPQGE-BHYGNILZSA-N 2 0 359.474 0.705 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019026 1207496044 /nfs/dbraw/zinc/49/60/44/1207496044.db2.gz ZAXUSGSZZOUKLP-ZWKOTPCHSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001189062278 1207498267 /nfs/dbraw/zinc/49/82/67/1207498267.db2.gz PYNALDWYHWQZIZ-LZLYRXPVSA-N 2 0 365.474 0.642 20 0 FCADRP CC(C)[C@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801968 1207609992 /nfs/dbraw/zinc/60/99/92/1207609992.db2.gz PBAXGDZOIKRLJH-YESZJQIVSA-N 2 0 368.522 0.258 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801345 1207610513 /nfs/dbraw/zinc/61/05/13/1207610513.db2.gz DESWDKONCLUTJP-RCCFBDPRSA-N 2 0 363.502 0.811 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189850927 1207616865 /nfs/dbraw/zinc/61/68/65/1207616865.db2.gz BJPVVWZUTBZAFJ-OKZBNKHCSA-N 2 0 363.506 0.509 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149229 1207649384 /nfs/dbraw/zinc/64/93/84/1207649384.db2.gz VEIKPLFYWBRGBU-HRCADAONSA-N 2 0 365.522 0.569 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001190325514 1207676540 /nfs/dbraw/zinc/67/65/40/1207676540.db2.gz YCBUEJQONMBNGR-ZWKOTPCHSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190324320 1207676639 /nfs/dbraw/zinc/67/66/39/1207676639.db2.gz KFWQXYOQVHSFNR-HRCADAONSA-N 2 0 362.474 0.200 20 0 FCADRP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220687046 1225013599 /nfs/dbraw/zinc/01/35/99/1225013599.db2.gz CWYSQZSMTKCDIG-IAGOWNOFSA-N 2 0 356.470 0.350 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688803 1225016666 /nfs/dbraw/zinc/01/66/66/1225016666.db2.gz QLGYGABUVFAWCR-KSZLIROESA-N 2 0 367.465 0.232 20 0 FCADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068422 1207856640 /nfs/dbraw/zinc/85/66/40/1207856640.db2.gz SMZPKQAHSNFCRV-CGTJXYLNSA-N 2 0 365.522 0.902 20 0 FCADRP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068578 1207856805 /nfs/dbraw/zinc/85/68/05/1207856805.db2.gz WABMYHVNTHDGFQ-IKSUFZCESA-N 2 0 363.506 0.966 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC2(CN(C(=O)C[N@@H+](C)CC)C2)O1 ZINC001273666964 1207896562 /nfs/dbraw/zinc/89/65/62/1207896562.db2.gz XYXUCEZVJAWERO-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289264 1207934217 /nfs/dbraw/zinc/93/42/17/1207934217.db2.gz GQXHWLFJZWYAMO-QZTJIDSGSA-N 2 0 364.490 0.742 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CC1 ZINC001195640161 1208030493 /nfs/dbraw/zinc/03/04/93/1208030493.db2.gz BCFAIYXMNDYIHQ-ZACQAIPSSA-N 2 0 365.474 0.931 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195860019 1208041752 /nfs/dbraw/zinc/04/17/52/1208041752.db2.gz RYYWSVZXYLKZCN-HZPDHXFCSA-N 2 0 363.458 0.113 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1O)[NH+](C)C ZINC001195972887 1208048494 /nfs/dbraw/zinc/04/84/94/1208048494.db2.gz LBMKGTQYHSMXOM-BRWVUGGUSA-N 2 0 362.474 0.033 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001196185477 1208059916 /nfs/dbraw/zinc/05/99/16/1208059916.db2.gz VSNLHBZNUFQJTN-BRWVUGGUSA-N 2 0 369.506 0.075 20 0 FCADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252306 1208069222 /nfs/dbraw/zinc/06/92/22/1208069222.db2.gz XMWYFEPRBOKFHD-KZNAEPCWSA-N 2 0 371.522 0.465 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O)[NH+](C)C ZINC001196276876 1208072085 /nfs/dbraw/zinc/07/20/85/1208072085.db2.gz YVQORFOLBRLKRF-FGTMMUONSA-N 2 0 361.486 0.666 20 0 FCADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798807 1208107209 /nfs/dbraw/zinc/10/72/09/1208107209.db2.gz UGMHNLAWQCJCPG-KBAYOESNSA-N 2 0 365.522 0.902 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197018482 1208132434 /nfs/dbraw/zinc/13/24/34/1208132434.db2.gz VCIZYOKNJZQYBU-KURKYZTESA-N 2 0 365.522 0.490 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1O)C(C)C ZINC001197026085 1208133097 /nfs/dbraw/zinc/13/30/97/1208133097.db2.gz ZFKOASFKVYLEKV-JFIYKMOQSA-N 2 0 370.538 0.381 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001197319676 1208152288 /nfs/dbraw/zinc/15/22/88/1208152288.db2.gz OCOBISNMOICMBF-QZTJIDSGSA-N 2 0 369.506 0.075 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536284 1208172206 /nfs/dbraw/zinc/17/22/06/1208172206.db2.gz RBKWLGFUUJOVCH-GUDVDZBRSA-N 2 0 363.502 0.483 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820136 1208201220 /nfs/dbraw/zinc/20/12/20/1208201220.db2.gz VZAJPWXHVRUIGO-QZTJIDSGSA-N 2 0 365.518 0.840 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004047 1208211187 /nfs/dbraw/zinc/21/11/87/1208211187.db2.gz SFBLDKYHJDFMAV-GUDVDZBRSA-N 2 0 363.502 0.483 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199023456 1208310266 /nfs/dbraw/zinc/31/02/66/1208310266.db2.gz KLVMSGBMOZSLDF-KZNAEPCWSA-N 2 0 369.506 0.219 20 0 FCADRP CN1CCN(c2ccncc2C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001199358205 1208342534 /nfs/dbraw/zinc/34/25/34/1208342534.db2.gz ZAZYPGHKUCJEEW-OAHLLOKOSA-N 2 0 367.457 0.622 20 0 FCADRP O=C(CCCn1ccnc1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001199397803 1208343727 /nfs/dbraw/zinc/34/37/27/1208343727.db2.gz CEFZXCGFNQQLAW-KZNAEPCWSA-N 2 0 358.442 0.558 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220764130 1225061235 /nfs/dbraw/zinc/06/12/35/1225061235.db2.gz AGVNHFPZIKSNIJ-MSOLQXFVSA-N 2 0 365.474 0.195 20 0 FCADRP CCCc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768690 1225062044 /nfs/dbraw/zinc/06/20/44/1225062044.db2.gz YQNCFNZZVARZQD-MOPGFXCFSA-N 2 0 363.502 0.879 20 0 FCADRP CCN(C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201229981 1208449303 /nfs/dbraw/zinc/44/93/03/1208449303.db2.gz KAGMIYVKTHFKSG-RHSMWYFYSA-N 2 0 366.506 0.297 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220774992 1225066056 /nfs/dbraw/zinc/06/60/56/1225066056.db2.gz DCARXBFXPSKPDX-VHSSKADRSA-N 2 0 360.462 0.234 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)C1=O ZINC001489202621 1208664320 /nfs/dbraw/zinc/66/43/20/1208664320.db2.gz LTTMRVBBEABSGI-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826210 1225091183 /nfs/dbraw/zinc/09/11/83/1225091183.db2.gz SFBLDKYHJDFMAV-OTWHNJEPSA-N 2 0 363.502 0.483 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[NH2+]C1 ZINC001220830484 1225093334 /nfs/dbraw/zinc/09/33/34/1225093334.db2.gz YHAKMWNCBJPVDB-XOBRGWDASA-N 2 0 370.453 0.249 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001489541077 1208901041 /nfs/dbraw/zinc/90/10/41/1208901041.db2.gz HRWYNMZHTYJFKQ-BFYDXBDKSA-N 2 0 356.511 0.256 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001489545965 1208909001 /nfs/dbraw/zinc/90/90/01/1208909001.db2.gz LOXYHBQDQBDZPU-INMHGKMJSA-N 2 0 356.511 0.256 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001489589379 1209008654 /nfs/dbraw/zinc/00/86/54/1209008654.db2.gz DSDZEEYGHSKGRW-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC001490051393 1209228855 /nfs/dbraw/zinc/22/88/55/1209228855.db2.gz UDFXGZOIBKXCBU-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C[NH2+]CCC[NH3+])CC2)c1 ZINC001220913516 1225137125 /nfs/dbraw/zinc/13/71/25/1225137125.db2.gz UUTJVLAPXWKLHL-UHFFFAOYSA-N 3 0 362.474 0.492 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000852184612 1209536234 /nfs/dbraw/zinc/53/62/34/1209536234.db2.gz NDEOOFQVIBNXPV-OAQYLSRUSA-N 2 0 374.529 0.852 20 0 FCADRP O=C1OCCN1[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437186 1209549521 /nfs/dbraw/zinc/54/95/21/1209549521.db2.gz VEWMFMQSJAEIOP-HOTGVXAUSA-N 2 0 366.462 0.820 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110668081 1209591914 /nfs/dbraw/zinc/59/19/14/1209591914.db2.gz VZVCGQNLBDULLI-ZJPYXAASSA-N 2 0 366.506 0.201 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001110671188 1209598117 /nfs/dbraw/zinc/59/81/17/1209598117.db2.gz WXHZNUIPGLABBM-XDNAFOTISA-N 2 0 361.490 0.450 20 0 FCADRP CCC[NH+]1CC[C@H](NC(=O)CC(O)CC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000856073719 1209694275 /nfs/dbraw/zinc/69/42/75/1209694275.db2.gz VZVDUKKEJYZLQQ-HOTGVXAUSA-N 2 0 368.522 0.329 20 0 FCADRP CC(C)[C@H]1CN(C(=O)CC(O)CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]1 ZINC000856490128 1209713211 /nfs/dbraw/zinc/71/32/11/1209713211.db2.gz WOAUNXHRHMBMCY-IAGOWNOFSA-N 2 0 368.522 0.040 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cncn3C1)C2 ZINC001110740860 1209777336 /nfs/dbraw/zinc/77/73/36/1209777336.db2.gz HBJLGTWQHKFLGJ-IDCNUPLLSA-N 2 0 362.474 0.830 20 0 FCADRP CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000863550922 1209945213 /nfs/dbraw/zinc/94/52/13/1209945213.db2.gz FLVZXAQRRBUPAR-QGZVFWFLSA-N 2 0 370.538 0.976 20 0 FCADRP O=C(NCc1cccc(N2CCOCC2=O)c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220990201 1225176396 /nfs/dbraw/zinc/17/63/96/1225176396.db2.gz CHTZELYMGKOUIR-QGZVFWFLSA-N 2 0 372.469 0.540 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(F)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000865168568 1209973171 /nfs/dbraw/zinc/97/31/71/1209973171.db2.gz YIUKJFHRUOKYLU-UHFFFAOYSA-N 2 0 370.513 0.925 20 0 FCADRP C[NH+]1CCC(ONC(=O)[C@@H]2CC[C@H]2C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000868089976 1210040741 /nfs/dbraw/zinc/04/07/41/1210040741.db2.gz APQFLAZOKYBPDZ-HZPDHXFCSA-N 2 0 368.478 0.297 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003520 1225182160 /nfs/dbraw/zinc/18/21/60/1225182160.db2.gz AVUFOJPOUSVBCI-BZUAXINKSA-N 2 0 362.478 0.456 20 0 FCADRP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H](F)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000868535291 1210068538 /nfs/dbraw/zinc/06/85/38/1210068538.db2.gz RBQSOUMWCVCEJF-IDHPPYADSA-N 2 0 366.481 0.433 20 0 FCADRP O=C(CC[NH2+]CC1CC1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000870876760 1210121018 /nfs/dbraw/zinc/12/10/18/1210121018.db2.gz XYMBKNCPJZRAGV-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP CC[NH+](CC(=O)N1CCO[C@H](CNC(=O)C[N@@H+](CC)C2CC2)C1)C1CC1 ZINC000871460754 1210155888 /nfs/dbraw/zinc/15/58/88/1210155888.db2.gz CQIDVCITLYJLEP-QGZVFWFLSA-N 2 0 366.506 0.299 20 0 FCADRP C(CN1CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000873290420 1210241172 /nfs/dbraw/zinc/24/11/72/1210241172.db2.gz DJKHTLDGIMKWRF-IBGZPJMESA-N 2 0 366.550 0.531 20 0 FCADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073225 1225210247 /nfs/dbraw/zinc/21/02/47/1225210247.db2.gz LQENEDSLWBKIGF-KSZLIROESA-N 2 0 371.522 0.057 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC000877237576 1210440681 /nfs/dbraw/zinc/44/06/81/1210440681.db2.gz CSYCAAHQWAEELI-ZWKOTPCHSA-N 2 0 369.469 0.924 20 0 FCADRP COc1ccc([C@@H]2CN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)C[C@H]2[NH3+])cc1 ZINC000877235961 1210441006 /nfs/dbraw/zinc/44/10/06/1210441006.db2.gz RDLMJVJQVWKSLL-DLBZAZTESA-N 2 0 370.457 0.778 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000878807453 1210466314 /nfs/dbraw/zinc/46/63/14/1210466314.db2.gz BRQPENVKOLVPMC-UHFFFAOYSA-N 2 0 363.510 0.688 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc(-c2ncccn2)cc1 ZINC001221082439 1225214682 /nfs/dbraw/zinc/21/46/82/1225214682.db2.gz UBRSYBIIZJJNPZ-QGZVFWFLSA-N 2 0 354.458 0.510 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696407 1210495444 /nfs/dbraw/zinc/49/54/44/1210495444.db2.gz PGQZTFDVLXBULT-GDAAHCPNSA-N 2 0 361.486 0.298 20 0 FCADRP O=C(C[NH+]1CC[C@H](CF)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880292766 1210526472 /nfs/dbraw/zinc/52/64/72/1210526472.db2.gz VKLXNZNORZJIIO-HZPDHXFCSA-N 2 0 372.460 0.240 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001221113908 1225226746 /nfs/dbraw/zinc/22/67/46/1225226746.db2.gz GAJYKMWOCAIIOE-INIZCTEOSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114029 1225226841 /nfs/dbraw/zinc/22/68/41/1225226841.db2.gz KGVALNNHSFQZIX-GJZGRUSLSA-N 2 0 359.474 0.157 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114120 1225226921 /nfs/dbraw/zinc/22/69/21/1225226921.db2.gz NPRXXTGGHCWZQX-HNNXBMFYSA-N 2 0 361.490 0.309 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001221121776 1225229195 /nfs/dbraw/zinc/22/91/95/1225229195.db2.gz RDBMONQKBKRLLM-QGZVFWFLSA-N 3 0 373.501 0.229 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]1 ZINC000883606669 1210674292 /nfs/dbraw/zinc/67/42/92/1210674292.db2.gz YUNWZXSTHIWQHG-MAUKXSAKSA-N 2 0 371.485 0.730 20 0 FCADRP C[C@@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]C1 ZINC000883611403 1210674973 /nfs/dbraw/zinc/67/49/73/1210674973.db2.gz XPSSOWCUCITDIZ-YLJYHZDGSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]C1 ZINC000883611402 1210675119 /nfs/dbraw/zinc/67/51/19/1210675119.db2.gz XPSSOWCUCITDIZ-XLIONFOSSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883609972 1210675206 /nfs/dbraw/zinc/67/52/06/1210675206.db2.gz JOSKCFOWUQEKPU-FHLIZLRMSA-N 2 0 371.485 0.715 20 0 FCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C[C@H](C)O1 ZINC000883658414 1210681891 /nfs/dbraw/zinc/68/18/91/1210681891.db2.gz CJFGHBVMUPVLBP-IYBDPMFKSA-N 2 0 366.506 0.299 20 0 FCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000884236133 1210725524 /nfs/dbraw/zinc/72/55/24/1210725524.db2.gz NAQIKUWGOAGDNA-MRXNPFEDSA-N 2 0 360.506 0.741 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC000884236320 1210725673 /nfs/dbraw/zinc/72/56/73/1210725673.db2.gz RDNUVDPFJBJEGU-SFHVURJKSA-N 2 0 372.517 0.343 20 0 FCADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884340535 1210731023 /nfs/dbraw/zinc/73/10/23/1210731023.db2.gz KJPSIMYVJQKMTP-PKOBYXMFSA-N 2 0 373.501 0.850 20 0 FCADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884389548 1210733145 /nfs/dbraw/zinc/73/31/45/1210733145.db2.gz AFQJIBBNAPDIAA-OAGGEKHMSA-N 2 0 361.490 0.719 20 0 FCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884422987 1210734368 /nfs/dbraw/zinc/73/43/68/1210734368.db2.gz KIUZYAJPNXFSEG-LSDHHAIUSA-N 2 0 360.506 0.771 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884486344 1210737609 /nfs/dbraw/zinc/73/76/09/1210737609.db2.gz UHBVPRYJMNCMRE-OXJNMPFZSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000884503468 1210740279 /nfs/dbraw/zinc/74/02/79/1210740279.db2.gz LZLPSKMROZPVNA-NXHRZFHOSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884509359 1210741580 /nfs/dbraw/zinc/74/15/80/1210741580.db2.gz DJUSILNHAVZFBY-LZWOXQAQSA-N 2 0 359.474 0.671 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884509562 1210742205 /nfs/dbraw/zinc/74/22/05/1210742205.db2.gz JNPOLWHWLJVLQI-YJBOKZPZSA-N 2 0 373.501 0.934 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000884553678 1210748578 /nfs/dbraw/zinc/74/85/78/1210748578.db2.gz FAROWOGXNIKZCI-XOKHGSTOSA-N 2 0 356.470 0.559 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884555790 1210750448 /nfs/dbraw/zinc/75/04/48/1210750448.db2.gz ZYPQVOJIZHGFOI-QGPMSJSTSA-N 2 0 358.486 0.662 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884555789 1210750536 /nfs/dbraw/zinc/75/05/36/1210750536.db2.gz ZYPQVOJIZHGFOI-KYJSFNMBSA-N 2 0 358.486 0.662 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000884566672 1210752815 /nfs/dbraw/zinc/75/28/15/1210752815.db2.gz QDCUTAJRBMQYCT-CALCHBBNSA-N 2 0 356.470 0.165 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000884576684 1210754601 /nfs/dbraw/zinc/75/46/01/1210754601.db2.gz NPCVXSJXYNBCFR-GOSISDBHSA-N 2 0 360.502 0.911 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884597787 1210759081 /nfs/dbraw/zinc/75/90/81/1210759081.db2.gz JVPOXZOXANNFFW-OAHLLOKOSA-N 2 0 374.476 0.976 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884603525 1210760378 /nfs/dbraw/zinc/76/03/78/1210760378.db2.gz LPPNHKXFHDGJJL-ROUUACIJSA-N 2 0 374.485 0.044 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000884604044 1210760751 /nfs/dbraw/zinc/76/07/51/1210760751.db2.gz YMHKEHVARWAOCZ-UHFFFAOYSA-N 2 0 366.506 0.348 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884616702 1210763494 /nfs/dbraw/zinc/76/34/94/1210763494.db2.gz ARMIJHRPGVMNSD-ROUUACIJSA-N 2 0 358.486 0.808 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884627369 1210765642 /nfs/dbraw/zinc/76/56/42/1210765642.db2.gz NDCDJJJBASUQHV-WMLDXEAASA-N 2 0 356.470 0.418 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000884631518 1210768286 /nfs/dbraw/zinc/76/82/86/1210768286.db2.gz MZBDSBMWILXQBW-QZTJIDSGSA-N 2 0 358.486 0.663 20 0 FCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884649451 1210772564 /nfs/dbraw/zinc/77/25/64/1210772564.db2.gz DBHWCFAHZYHQIN-PKOBYXMFSA-N 2 0 370.497 0.950 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCCC(C)(C)[NH3+])CCCC2)CC1 ZINC000884656483 1210773376 /nfs/dbraw/zinc/77/33/76/1210773376.db2.gz JBTKTZKJMKQBCU-UHFFFAOYSA-N 2 0 368.522 0.770 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884669940 1210775630 /nfs/dbraw/zinc/77/56/30/1210775630.db2.gz KRLQFLDQDDMYSZ-IRXDYDNUSA-N 2 0 367.538 0.106 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675876 1210776907 /nfs/dbraw/zinc/77/69/07/1210776907.db2.gz TZFMYQNKYXNNKW-DOTOQJQBSA-N 2 0 358.486 0.739 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884676765 1210778061 /nfs/dbraw/zinc/77/80/61/1210778061.db2.gz XGVJFOTWJVIDHW-WMZOPIPTSA-N 2 0 360.502 0.987 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000884683685 1210780072 /nfs/dbraw/zinc/78/00/72/1210780072.db2.gz LFWPGTJTNFAGNY-HRCADAONSA-N 2 0 359.474 0.623 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690175 1210781454 /nfs/dbraw/zinc/78/14/54/1210781454.db2.gz OZXQDMKUDKCVEQ-DOTOQJQBSA-N 2 0 358.486 0.739 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884691623 1210782625 /nfs/dbraw/zinc/78/26/25/1210782625.db2.gz MTJPOVXIKKXZIQ-AOIWGVFYSA-N 2 0 372.513 0.987 20 0 FCADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000884703981 1210783274 /nfs/dbraw/zinc/78/32/74/1210783274.db2.gz QYLLVNMVLQZRFK-RDJZCZTQSA-N 2 0 362.474 0.166 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000884703979 1210783550 /nfs/dbraw/zinc/78/35/50/1210783550.db2.gz QYLLVNMVLQZRFK-DOTOQJQBSA-N 2 0 362.474 0.166 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884704289 1210783816 /nfs/dbraw/zinc/78/38/16/1210783816.db2.gz ZSWHQNFQNRDJSJ-OXFYSEKESA-N 2 0 358.486 0.820 20 0 FCADRP CC(C)([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884708481 1210784419 /nfs/dbraw/zinc/78/44/19/1210784419.db2.gz ARYJHRWBXGGYHX-OXJNMPFZSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884709704 1210785085 /nfs/dbraw/zinc/78/50/85/1210785085.db2.gz NPSQPOUGHZJQMH-RHSMWYFYSA-N 2 0 359.474 0.752 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@H]21 ZINC000884725992 1210791000 /nfs/dbraw/zinc/79/10/00/1210791000.db2.gz DLIOEDFUROUJHE-GPJARZKNSA-N 2 0 374.529 0.809 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832838 1210800141 /nfs/dbraw/zinc/80/01/41/1210800141.db2.gz AWKYQRYPKNKFKL-SOLBZPMBSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835240 1210800266 /nfs/dbraw/zinc/80/02/66/1210800266.db2.gz NMLKMHKNAXDGND-JFIYKMOQSA-N 2 0 358.486 0.691 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834478 1210800429 /nfs/dbraw/zinc/80/04/29/1210800429.db2.gz XCKUJOULTQMWAL-DSLXNQLJSA-N 2 0 370.497 0.834 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884833429 1210800563 /nfs/dbraw/zinc/80/05/63/1210800563.db2.gz KOHWHCPLQTUAQW-FUHWJXTLSA-N 2 0 360.502 0.939 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850762 1210801433 /nfs/dbraw/zinc/80/14/33/1210801433.db2.gz AAWQRIMKNFALPP-MJGOQNOKSA-N 2 0 370.497 0.891 20 0 FCADRP [NH3+][C@@H](CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000884886014 1210803002 /nfs/dbraw/zinc/80/30/02/1210803002.db2.gz GGZGUFUTRMZHQR-ZWKOTPCHSA-N 2 0 358.486 0.759 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000884895786 1210803256 /nfs/dbraw/zinc/80/32/56/1210803256.db2.gz NJLXRUNAJTYVIJ-KURKYZTESA-N 2 0 358.486 0.615 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139616 1210811841 /nfs/dbraw/zinc/81/18/41/1210811841.db2.gz KGKCLPMOEUJKCV-PMPSAXMXSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885148625 1210812702 /nfs/dbraw/zinc/81/27/02/1210812702.db2.gz QLFRRGXEDXWISH-HZPDHXFCSA-N 2 0 366.506 0.250 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000885152326 1210812866 /nfs/dbraw/zinc/81/28/66/1210812866.db2.gz KAUVSNPEIAUGSQ-LPHOPBHVSA-N 2 0 370.497 0.761 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153876 1210813117 /nfs/dbraw/zinc/81/31/17/1210813117.db2.gz MTIFQMFPZBYGHJ-MAUKXSAKSA-N 2 0 358.486 0.665 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153875 1210813202 /nfs/dbraw/zinc/81/32/02/1210813202.db2.gz MTIFQMFPZBYGHJ-CRAIPNDOSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000885156133 1210813738 /nfs/dbraw/zinc/81/37/38/1210813738.db2.gz MPMCMDPOJZDOIQ-OLMNPRSZSA-N 2 0 358.486 0.758 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885162621 1210814229 /nfs/dbraw/zinc/81/42/29/1210814229.db2.gz QJIOGLSDAJVHQD-CEXWTWQISA-N 2 0 370.497 0.760 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167676 1210814510 /nfs/dbraw/zinc/81/45/10/1210814510.db2.gz ORSYMDMASDIFID-QZTJIDSGSA-N 2 0 358.486 0.758 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167834 1210814595 /nfs/dbraw/zinc/81/45/95/1210814595.db2.gz PRRVOSRHVRQUMH-GUDVDZBRSA-N 2 0 370.497 0.760 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000885280459 1210817161 /nfs/dbraw/zinc/81/71/61/1210817161.db2.gz PDOPVBWBTKKVLF-LSDHHAIUSA-N 2 0 372.460 0.824 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)C[C@H]1C[NH+](C)C ZINC000890270704 1210832721 /nfs/dbraw/zinc/83/27/21/1210832721.db2.gz QITQYEXTSITLNN-ZACQAIPSSA-N 2 0 365.522 0.378 20 0 FCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000886881188 1210839148 /nfs/dbraw/zinc/83/91/48/1210839148.db2.gz SXBMNSIQGSGFGA-XLAORIBOSA-N 2 0 357.454 0.857 20 0 FCADRP C[N@H+](CCO)CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000886969209 1210841090 /nfs/dbraw/zinc/84/10/90/1210841090.db2.gz TWYKIUTVSGMLTN-UHFFFAOYSA-N 2 0 365.478 0.016 20 0 FCADRP CCN(C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000887004813 1210842224 /nfs/dbraw/zinc/84/22/24/1210842224.db2.gz WLNMXQFOGUZFME-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000887081471 1210846347 /nfs/dbraw/zinc/84/63/47/1210846347.db2.gz ULHFEQLBCBYEHX-YLJYHZDGSA-N 2 0 362.518 0.923 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)CC[C@H]21 ZINC000887080733 1210846456 /nfs/dbraw/zinc/84/64/56/1210846456.db2.gz DVACNXDIAUZPKR-MBOZVWFJSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000887091772 1210847143 /nfs/dbraw/zinc/84/71/43/1210847143.db2.gz VVSNDTFWBPSLCJ-CLCXKQKWSA-N 2 0 357.458 0.459 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274083524 1210875890 /nfs/dbraw/zinc/87/58/90/1210875890.db2.gz IEBREMAZNBDYFP-TWOQFEAHSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H](C(=O)N1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1)[NH+](C)C ZINC001274157827 1210899646 /nfs/dbraw/zinc/89/96/46/1210899646.db2.gz QJSKRPLJIRKCPR-ZFWWWQNUSA-N 2 0 362.478 0.182 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1)[NH+](C)C ZINC001274157957 1210899652 /nfs/dbraw/zinc/89/96/52/1210899652.db2.gz SAFIKYBEKJNRNI-PMUMKWKESA-N 2 0 362.478 0.182 20 0 FCADRP C[C@@H](C(=O)N1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1)[NH+](C)C ZINC001274158136 1210899940 /nfs/dbraw/zinc/89/99/40/1210899940.db2.gz USNSKBRWFLSNRX-LBPRGKRZSA-N 2 0 363.462 0.333 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001274204808 1210910284 /nfs/dbraw/zinc/91/02/84/1210910284.db2.gz YFUJITWSPRTCJD-UHFFFAOYSA-N 2 0 361.490 0.681 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)CC1 ZINC001274204930 1210910415 /nfs/dbraw/zinc/91/04/15/1210910415.db2.gz YYIDIZHNIONNAX-MSOLQXFVSA-N 2 0 361.490 0.918 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001274202585 1210910683 /nfs/dbraw/zinc/91/06/83/1210910683.db2.gz GOTQIHMLBQMDIP-SFHVURJKSA-N 2 0 361.490 0.681 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933349 1210921178 /nfs/dbraw/zinc/92/11/78/1210921178.db2.gz NHTDFPXQCRWVHH-NHAYFPRASA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[C@H]([NH3+])CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184066 1225258713 /nfs/dbraw/zinc/25/87/13/1225258713.db2.gz QSCSWTXWCYCVHL-XSLAGTTESA-N 2 0 374.485 0.761 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221190160 1225262334 /nfs/dbraw/zinc/26/23/34/1225262334.db2.gz CPSVFWXQXLARPI-SIXWZSSISA-N 2 0 360.458 0.109 20 0 FCADRP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221202415 1225267344 /nfs/dbraw/zinc/26/73/44/1225267344.db2.gz ZVWWCMLGNFDXJL-FUHWJXTLSA-N 2 0 374.460 0.851 20 0 FCADRP CCC[C@@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275081422 1211173937 /nfs/dbraw/zinc/17/39/37/1211173937.db2.gz GQLFASYWIBHKQR-GOSISDBHSA-N 2 0 366.550 0.973 20 0 FCADRP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@H+](C)CCN3C)(C1)CCC2 ZINC001275172283 1211188901 /nfs/dbraw/zinc/18/89/01/1211188901.db2.gz UQXQCSWHPYXIPS-NZSAHSFTSA-N 2 0 368.522 0.404 20 0 FCADRP COc1ncccc1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275378692 1211225967 /nfs/dbraw/zinc/22/59/67/1211225967.db2.gz BQQCHVIQEVNBPY-IBGZPJMESA-N 2 0 360.458 0.993 20 0 FCADRP COCCOCN1C(=O)C[C@]2(CCC[N@H+](Cc3cnccc3N)C2)C1=O ZINC001275444427 1211239176 /nfs/dbraw/zinc/23/91/76/1211239176.db2.gz XVCMFURQODMWFN-SFHVURJKSA-N 2 0 362.430 0.456 20 0 FCADRP CN(C)C(=O)CCN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556648 1211256490 /nfs/dbraw/zinc/25/64/90/1211256490.db2.gz NHIZKKUAZVAWBV-LJQANCHMSA-N 2 0 366.506 0.110 20 0 FCADRP COC(CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O)OC ZINC001275556989 1211256918 /nfs/dbraw/zinc/25/69/18/1211256918.db2.gz RLNQSTVLWFDLGK-LJQANCHMSA-N 2 0 367.490 0.788 20 0 FCADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001221244067 1225279613 /nfs/dbraw/zinc/27/96/13/1225279613.db2.gz PZCKAVBLHSCZOE-PXNSSMCTSA-N 2 0 371.485 0.754 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001275722332 1211274871 /nfs/dbraw/zinc/27/48/71/1211274871.db2.gz NVVFPHDNKVGYMW-QRWLVFNGSA-N 2 0 360.502 0.816 20 0 FCADRP O=C1C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C(=O)N1Cc1ncccn1 ZINC001275736808 1211278819 /nfs/dbraw/zinc/27/88/19/1211278819.db2.gz HLHLJNLBAJCVAR-LJQANCHMSA-N 2 0 357.458 0.817 20 0 FCADRP O=C1C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C(=O)N1Cc1ncccn1 ZINC001275736806 1211279008 /nfs/dbraw/zinc/27/90/08/1211279008.db2.gz HLHLJNLBAJCVAR-IBGZPJMESA-N 2 0 357.458 0.817 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H]2CCCO2)CC1 ZINC001275804539 1211287266 /nfs/dbraw/zinc/28/72/66/1211287266.db2.gz SLRQESNHTUYPKM-IPMKNSEASA-N 2 0 364.534 0.868 20 0 FCADRP N[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221237007 1225275805 /nfs/dbraw/zinc/27/58/05/1225275805.db2.gz MHSUZVCIRGVCDO-ROUUACIJSA-N 2 0 368.437 0.072 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000363477412 1211294411 /nfs/dbraw/zinc/29/44/11/1211294411.db2.gz VUJQKPVOWKLLMA-DLBZAZTESA-N 2 0 363.506 0.563 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccn4ccnc34)C2)OCC1=O ZINC001276224279 1211384161 /nfs/dbraw/zinc/38/41/61/1211384161.db2.gz DVYJVSLVFDDMOD-LJQANCHMSA-N 2 0 357.458 0.699 20 0 FCADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247532 1211391955 /nfs/dbraw/zinc/39/19/55/1211391955.db2.gz PQTSMAPXHBBIGI-ACJLOTCBSA-N 2 0 362.430 0.570 20 0 FCADRP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000924670731 1211476866 /nfs/dbraw/zinc/47/68/66/1211476866.db2.gz HZCJWGBFGMXBMM-RDJZCZTQSA-N 2 0 364.490 0.894 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000924720950 1211478359 /nfs/dbraw/zinc/47/83/59/1211478359.db2.gz CCKAXYXWSWNCEL-IBGZPJMESA-N 2 0 372.513 0.819 20 0 FCADRP C[C@H](C[NH2+][C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CN1CC[NH+](C)CC1 ZINC000924951582 1211486537 /nfs/dbraw/zinc/48/65/37/1211486537.db2.gz SJFFHPDVWMVRFY-KGLIPLIRSA-N 2 0 359.474 0.751 20 0 FCADRP C(CN1CCC[C@@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768330 1211507918 /nfs/dbraw/zinc/50/79/18/1211507918.db2.gz JOUHUBZNSWRZHB-FYQPLNBISA-N 2 0 366.550 0.530 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926322561 1211530250 /nfs/dbraw/zinc/53/02/50/1211530250.db2.gz VMMGFMHOEYZAFI-HNNXBMFYSA-N 2 0 364.465 0.913 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000926327960 1211531788 /nfs/dbraw/zinc/53/17/88/1211531788.db2.gz KSKGALKSNWOCKX-QGZVFWFLSA-N 2 0 366.506 0.145 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000926596592 1211551459 /nfs/dbraw/zinc/55/14/59/1211551459.db2.gz UMSRIQNJQDFRKG-QGZVFWFLSA-N 2 0 358.486 0.998 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000927643514 1211578144 /nfs/dbraw/zinc/57/81/44/1211578144.db2.gz JEEIYJRBFXCMNT-SFHVURJKSA-N 2 0 366.506 0.746 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000927648400 1211579106 /nfs/dbraw/zinc/57/91/06/1211579106.db2.gz KCFZSQRKENTOCL-RCCFBDPRSA-N 2 0 366.506 0.480 20 0 FCADRP COc1ccccc1[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337328 1225299763 /nfs/dbraw/zinc/29/97/63/1225299763.db2.gz PQRHKZISQLBYDP-HZPDHXFCSA-N 2 0 359.430 0.919 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000927884796 1211590238 /nfs/dbraw/zinc/59/02/38/1211590238.db2.gz ZKKPGLFIDBUAMA-MRXNPFEDSA-N 2 0 373.501 0.570 20 0 FCADRP COc1ccccc1[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1nnc(C)o1 ZINC001221335865 1225300520 /nfs/dbraw/zinc/30/05/20/1225300520.db2.gz IAGHSUOZZYLIPM-DZGCQCFKSA-N 2 0 357.414 0.401 20 0 FCADRP C[NH+]1CC[C@@H]1CNC(=O)CN(CC(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1 ZINC000928556293 1211604554 /nfs/dbraw/zinc/60/45/54/1211604554.db2.gz PCDWBFUXQBTQNB-QZTJIDSGSA-N 2 0 373.501 0.134 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001110956346 1211614960 /nfs/dbraw/zinc/61/49/60/1211614960.db2.gz FAHDFLFMIHNXDK-QXSJWSMHSA-N 2 0 358.490 0.829 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001110956543 1211615032 /nfs/dbraw/zinc/61/50/32/1211615032.db2.gz NROHABBWSDYHQC-KFWWJZLASA-N 2 0 362.474 0.199 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCOc1ccncc1 ZINC001221393668 1225306503 /nfs/dbraw/zinc/30/65/03/1225306503.db2.gz LOXZLKXZXQXRHY-HOTGVXAUSA-N 2 0 363.462 0.024 20 0 FCADRP CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221364445 1225302518 /nfs/dbraw/zinc/30/25/18/1225302518.db2.gz JLNSHSFTARTUII-RBSFLKMASA-N 2 0 369.510 0.299 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C)[NH+]1CCCC1 ZINC000929178928 1211621502 /nfs/dbraw/zinc/62/15/02/1211621502.db2.gz BNYMWBNMIQITSJ-NVXWUHKLSA-N 2 0 374.485 0.769 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000930719358 1211719779 /nfs/dbraw/zinc/71/97/79/1211719779.db2.gz ASUIMRBBELQRMR-QGZVFWFLSA-N 2 0 359.474 0.897 20 0 FCADRP CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931487220 1211757574 /nfs/dbraw/zinc/75/75/74/1211757574.db2.gz WIBWTEAFVVNIMI-HNNXBMFYSA-N 2 0 369.506 0.565 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](C/C=C\C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931480225 1211757831 /nfs/dbraw/zinc/75/78/31/1211757831.db2.gz POZNMILVWGDFOK-WAYWQWQTSA-N 4 0 368.566 0.320 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931607874 1211762758 /nfs/dbraw/zinc/76/27/58/1211762758.db2.gz ODBRNCWZTNLLHZ-OAHLLOKOSA-N 2 0 361.490 0.954 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000931611482 1211763534 /nfs/dbraw/zinc/76/35/34/1211763534.db2.gz VEIHCNONBMUEFY-RHSMWYFYSA-N 2 0 359.474 0.707 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931654902 1211768642 /nfs/dbraw/zinc/76/86/42/1211768642.db2.gz TXCLTIYWDAVNGH-HOTGVXAUSA-N 2 0 358.486 0.915 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021286 1211788236 /nfs/dbraw/zinc/78/82/36/1211788236.db2.gz RGPDZPYKUPDZQR-HPBDAGMYSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001111023544 1211796335 /nfs/dbraw/zinc/79/63/35/1211796335.db2.gz PCKJIQRTFCMEAR-JEWRLFTDSA-N 2 0 371.497 0.929 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C1CCOCC1 ZINC000933311110 1211839813 /nfs/dbraw/zinc/83/98/13/1211839813.db2.gz NIVVHUKFDPHZFS-UHFFFAOYSA-N 2 0 370.538 0.507 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933841732 1211848837 /nfs/dbraw/zinc/84/88/37/1211848837.db2.gz KEPVQJVBMJKDFN-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000796579058 1212037097 /nfs/dbraw/zinc/03/70/97/1212037097.db2.gz BHSMKGQQBJMTEZ-FQEVSTJZSA-N 2 0 373.501 0.964 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000968629583 1212054505 /nfs/dbraw/zinc/05/45/05/1212054505.db2.gz MYEMEDSZORZSHG-IKGGRYGDSA-N 2 0 366.506 0.035 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1 ZINC001111277161 1212203349 /nfs/dbraw/zinc/20/33/49/1212203349.db2.gz DHNWTSMOVGOPPC-KURKYZTESA-N 2 0 374.485 0.585 20 0 FCADRP COc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)nn1 ZINC001111277476 1212204185 /nfs/dbraw/zinc/20/41/85/1212204185.db2.gz UEICDGZPNATOHP-OAGGEKHMSA-N 2 0 363.462 0.285 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298685 1212493926 /nfs/dbraw/zinc/49/39/26/1212493926.db2.gz KZHUMEULMDAISV-KURKYZTESA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000949960503 1212494457 /nfs/dbraw/zinc/49/44/57/1212494457.db2.gz YRQPGXZUFUEYNA-DJIMGWMZSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001007856533 1212592892 /nfs/dbraw/zinc/59/28/92/1212592892.db2.gz JQIJGZPEFGDVSB-GUXCAODWSA-N 2 0 360.502 0.531 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000779524035 1212651657 /nfs/dbraw/zinc/65/16/57/1212651657.db2.gz YESSLBLWSMCSMM-UHFFFAOYSA-N 2 0 373.501 0.931 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000950997412 1212734123 /nfs/dbraw/zinc/73/41/23/1212734123.db2.gz WKLZWAWFKPLITO-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000950997413 1212734582 /nfs/dbraw/zinc/73/45/82/1212734582.db2.gz WKLZWAWFKPLITO-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000954048672 1213035869 /nfs/dbraw/zinc/03/58/69/1213035869.db2.gz AFJBRGYAGANKKN-HLLBOEOZSA-N 2 0 366.506 0.107 20 0 FCADRP Cc1cncn1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000955364954 1213149995 /nfs/dbraw/zinc/14/99/95/1213149995.db2.gz YTSSWFXDGTUGFR-HUUCEWRRSA-N 2 0 356.430 0.398 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000956992051 1213227420 /nfs/dbraw/zinc/22/74/20/1213227420.db2.gz CUZYHQLICLQMMN-QBPKDAKJSA-N 2 0 362.518 0.918 20 0 FCADRP CCOC(=O)CC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276318074 1213404188 /nfs/dbraw/zinc/40/41/88/1213404188.db2.gz UAWQOPVMTUQURZ-SFHVURJKSA-N 2 0 364.446 0.424 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1COC(C)(C)OC1)C2 ZINC001276345552 1213424953 /nfs/dbraw/zinc/42/49/53/1213424953.db2.gz CZYGUZWIPWZHSU-LJQANCHMSA-N 2 0 369.506 0.498 20 0 FCADRP C[N@H+](CC(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21)C1CCC1 ZINC000960532435 1213808036 /nfs/dbraw/zinc/80/80/36/1213808036.db2.gz MGYXNDCWSBTIAE-YESZJQIVSA-N 2 0 364.490 0.003 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001010683533 1213808386 /nfs/dbraw/zinc/80/83/86/1213808386.db2.gz WCYUAJADPFYTPS-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001011209601 1213850312 /nfs/dbraw/zinc/85/03/12/1213850312.db2.gz ICZLXEYGYMIOGW-KBAYOESNSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418864456 1213867068 /nfs/dbraw/zinc/86/70/68/1213867068.db2.gz QTQXYBVHPXJLKJ-PXNSSMCTSA-N 2 0 356.470 0.732 20 0 FCADRP C[C@H](COCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001221822988 1225492972 /nfs/dbraw/zinc/49/29/72/1225492972.db2.gz APKYTEHCLYMYNC-KZNAEPCWSA-N 2 0 369.506 0.029 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001017491443 1214103517 /nfs/dbraw/zinc/10/35/17/1214103517.db2.gz KCJQZTUZJZXZJY-FGTMMUONSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001017564725 1214118487 /nfs/dbraw/zinc/11/84/87/1214118487.db2.gz QXTLJTVUQXMYFF-NLNMYJFZSA-N 2 0 365.518 0.789 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664673 1214260356 /nfs/dbraw/zinc/26/03/56/1214260356.db2.gz FNUJIHSMJMOPQQ-SOVHRIKKSA-N 2 0 362.518 0.584 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961666125 1214261352 /nfs/dbraw/zinc/26/13/52/1214261352.db2.gz DLHYYHVRYFILHE-XLMAVXFVSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001020371882 1214346332 /nfs/dbraw/zinc/34/63/32/1214346332.db2.gz XPKPFONEGLLSDI-YQFWSFKMSA-N 2 0 366.506 0.153 20 0 FCADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221950335 1225549112 /nfs/dbraw/zinc/54/91/12/1225549112.db2.gz CHBKCMGSUVQKGF-QZTJIDSGSA-N 2 0 363.506 0.611 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC000963020930 1214714588 /nfs/dbraw/zinc/71/45/88/1214714588.db2.gz PVZNRQNRJCTAOH-BBWFWOEESA-N 2 0 366.506 0.035 20 0 FCADRP CN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1=O ZINC000964016598 1214887229 /nfs/dbraw/zinc/88/72/29/1214887229.db2.gz MQIKJERCRDKFIU-QXZDORHBSA-N 2 0 357.458 0.761 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000966107993 1215162625 /nfs/dbraw/zinc/16/26/25/1215162625.db2.gz JWMVOAZCUYMKGM-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC34CC4)CC2)CC[N@@H+]1C ZINC001055653934 1215900802 /nfs/dbraw/zinc/90/08/02/1215900802.db2.gz AYYDACCEBFNLRN-OIISXLGYSA-N 2 0 362.518 0.824 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001000702654 1216108969 /nfs/dbraw/zinc/10/89/69/1216108969.db2.gz WARLGCOJQVCXJN-RDTXWAMCSA-N 2 0 360.506 0.983 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001222789210 1225653579 /nfs/dbraw/zinc/65/35/79/1225653579.db2.gz HMKPTBFKELHSTQ-ZACQAIPSSA-N 2 0 366.485 0.881 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001050328785 1216308203 /nfs/dbraw/zinc/30/82/03/1216308203.db2.gz LOQAHKWNAAUAQN-QCODTGAPSA-N 2 0 364.490 0.396 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCn2cncn2)CC3)CC[N@@H+]1C ZINC001050523743 1216331075 /nfs/dbraw/zinc/33/10/75/1216331075.db2.gz IEOBJBHMBJWXOT-DLBZAZTESA-N 2 0 360.506 0.933 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnnn2C)CC3)CC[N@@H+]1C ZINC001050523738 1216331596 /nfs/dbraw/zinc/33/15/96/1216331596.db2.gz IDMRUGLAVKFSLB-DLBZAZTESA-N 2 0 360.506 0.970 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000827321539 1216586467 /nfs/dbraw/zinc/58/64/67/1216586467.db2.gz QEQKIBYBJLMFEN-NVXWUHKLSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068873506 1216763590 /nfs/dbraw/zinc/76/35/90/1216763590.db2.gz BISXLLGEAGDVRS-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069928816 1216848414 /nfs/dbraw/zinc/84/84/14/1216848414.db2.gz KOIXIZLIADCCEY-CVEARBPZSA-N 2 0 360.466 0.102 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944968 1216858129 /nfs/dbraw/zinc/85/81/29/1216858129.db2.gz BVUKBPPPOWTTPF-ZACQAIPSSA-N 2 0 364.494 0.265 20 0 FCADRP COC(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276882150 1225699052 /nfs/dbraw/zinc/69/90/52/1225699052.db2.gz HXENIGGTQQMZJZ-IAGOWNOFSA-N 2 0 366.506 0.252 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001069988291 1216885393 /nfs/dbraw/zinc/88/53/93/1216885393.db2.gz QLZMTZZYMTUJQO-SQNIBIBYSA-N 2 0 358.490 0.904 20 0 FCADRP CCOC(=O)CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276888727 1225704749 /nfs/dbraw/zinc/70/47/49/1225704749.db2.gz HTTUYWHJZOEULH-LJQANCHMSA-N 2 0 369.506 0.832 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223500217 1225710400 /nfs/dbraw/zinc/71/04/00/1225710400.db2.gz OXIURJUZJIJKPX-NUJGCVRESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N4CCCC4)C3)C2)CC[N@@H+]1C ZINC001041296313 1217270245 /nfs/dbraw/zinc/27/02/45/1217270245.db2.gz FTAIOYMLIGFSAA-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916257 1225746546 /nfs/dbraw/zinc/74/65/46/1225746546.db2.gz CZAMLCDUPQLMJF-NUJGCVRESA-N 2 0 362.518 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985032 1225749952 /nfs/dbraw/zinc/74/99/52/1225749952.db2.gz NVQADHGHWSCADE-SQNIBIBYSA-N 2 0 363.506 0.509 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001045781025 1217953248 /nfs/dbraw/zinc/95/32/48/1217953248.db2.gz RDXXTJQFHDBFAQ-HCXYKTFWSA-N 2 0 365.518 0.791 20 0 FCADRP C[NH+](C)CCn1cc(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)ccc1=O ZINC000900253048 1217974965 /nfs/dbraw/zinc/97/49/65/1217974965.db2.gz VIIHLTQPUKAUPC-HNNXBMFYSA-N 2 0 361.446 0.321 20 0 FCADRP CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1=O ZINC000900674640 1218022553 /nfs/dbraw/zinc/02/25/53/1218022553.db2.gz LGIKRNHJDGWQEO-HNNXBMFYSA-N 2 0 362.474 0.366 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000900843886 1218044937 /nfs/dbraw/zinc/04/49/37/1218044937.db2.gz MKYBIKNHGJIYOE-LJQANCHMSA-N 2 0 366.550 0.973 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000900954769 1218062957 /nfs/dbraw/zinc/06/29/57/1218062957.db2.gz LGNJUORBFCHDRR-UHFFFAOYSA-N 2 0 367.582 0.935 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCOC2)cn1 ZINC001096140449 1218089837 /nfs/dbraw/zinc/08/98/37/1218089837.db2.gz ZNPFHDXAIUHMRP-BGTYHANMSA-N 2 0 361.490 0.816 20 0 FCADRP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277012344 1225799395 /nfs/dbraw/zinc/79/93/95/1225799395.db2.gz UYMDUPPPYUCPJE-LJQANCHMSA-N 2 0 360.458 0.998 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829821 1218324857 /nfs/dbraw/zinc/32/48/57/1218324857.db2.gz ZDJJKZZQSYFPQN-NRSFXHEJSA-N 2 0 358.486 0.616 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000803179223 1218361094 /nfs/dbraw/zinc/36/10/94/1218361094.db2.gz IZZBYHNUFYYVDL-GOSISDBHSA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(N)ccnc3F)C2)C1=O ZINC001277054222 1225815694 /nfs/dbraw/zinc/81/56/94/1225815694.db2.gz DRPWBFZDZRIOPG-GOSISDBHSA-N 2 0 363.437 0.706 20 0 FCADRP O=C1c2ccccc2C(=O)N1CCOCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000903452267 1218413946 /nfs/dbraw/zinc/41/39/46/1218413946.db2.gz KRHHPNXASCGGGB-MRXNPFEDSA-N 2 0 372.469 0.279 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903780594 1218524779 /nfs/dbraw/zinc/52/47/79/1218524779.db2.gz JNLLJEJORMJEKI-PKRADWSKSA-N 2 0 365.518 0.887 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4nccn43)C2)OCC1=O ZINC001277113062 1225838411 /nfs/dbraw/zinc/83/84/11/1225838411.db2.gz VQPZKRYIDDVIOD-IBGZPJMESA-N 2 0 357.458 0.699 20 0 FCADRP CN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001097095530 1218688025 /nfs/dbraw/zinc/68/80/25/1218688025.db2.gz RORCESHPNWYOCJ-MXASKKJJSA-N 2 0 374.489 0.011 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226765797 1225854055 /nfs/dbraw/zinc/85/40/55/1225854055.db2.gz FPUCFMBDNHPTJG-MGPQQGTHSA-N 2 0 367.494 0.332 20 0 FCADRP CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCCC[C@H]1NCc1ncccn1 ZINC001226781977 1225854270 /nfs/dbraw/zinc/85/42/70/1225854270.db2.gz GMYSJTNXDFWNPI-ZACQAIPSSA-N 2 0 371.489 0.821 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226799868 1225854553 /nfs/dbraw/zinc/85/45/53/1225854553.db2.gz FLBYZSYKQNGJRI-KURKYZTESA-N 2 0 368.522 0.496 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831543 1225855639 /nfs/dbraw/zinc/85/56/39/1225855639.db2.gz SKGCMNRLPZZQLO-KZNAEPCWSA-N 2 0 371.522 0.512 20 0 FCADRP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001227029044 1225861276 /nfs/dbraw/zinc/86/12/76/1225861276.db2.gz ZCGFFFDCPRXJDI-QBPKDAKJSA-N 2 0 368.522 0.639 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001227150458 1225864676 /nfs/dbraw/zinc/86/46/76/1225864676.db2.gz RQBCLOPKGLKFRI-BFHYXJOUSA-N 2 0 369.510 0.578 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001227149699 1225864865 /nfs/dbraw/zinc/86/48/65/1225864865.db2.gz DCRXICRFZGMMLL-HUUCEWRRSA-N 2 0 366.506 0.883 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227184667 1225865496 /nfs/dbraw/zinc/86/54/96/1225865496.db2.gz NZYHHWUADSSFEF-RCCFBDPRSA-N 2 0 364.490 0.932 20 0 FCADRP COCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055530710 1219069329 /nfs/dbraw/zinc/06/93/29/1219069329.db2.gz SCXZMTRIDWEMHB-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055580150 1219086250 /nfs/dbraw/zinc/08/62/50/1219086250.db2.gz XAKIHKVZYSLVPN-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)/C=C/C3CC3)CC2)CC[N@@H+]1C ZINC001055583678 1219088564 /nfs/dbraw/zinc/08/85/64/1219088564.db2.gz XZPOYSLKXNEDSG-CDZANEANSA-N 2 0 362.518 0.990 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055611747 1219099359 /nfs/dbraw/zinc/09/93/59/1219099359.db2.gz OEZVZZBIKMSCTM-OXFYSEKESA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804049241 1219102866 /nfs/dbraw/zinc/10/28/66/1219102866.db2.gz CAQCTDQGYQBSKY-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097220 1219168829 /nfs/dbraw/zinc/16/88/29/1219168829.db2.gz HSURIRXMZBTYOU-KFWWJZLASA-N 2 0 368.432 0.617 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070158197 1219243984 /nfs/dbraw/zinc/24/39/84/1219243984.db2.gz ARMJWESGRFBIAC-IKGGRYGDSA-N 2 0 355.446 0.309 20 0 FCADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227704490 1225882128 /nfs/dbraw/zinc/88/21/28/1225882128.db2.gz ZYZIRPFGMFGUQU-IIAWOOMASA-N 2 0 365.478 0.073 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277399 1219343774 /nfs/dbraw/zinc/34/37/74/1219343774.db2.gz OUFJYNXWIOZPML-IKGGRYGDSA-N 2 0 357.462 0.555 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070309828 1219367447 /nfs/dbraw/zinc/36/74/47/1219367447.db2.gz FEYSJRWOLPBUAY-JQHSSLGASA-N 2 0 369.473 0.557 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070371722 1219401518 /nfs/dbraw/zinc/40/15/18/1219401518.db2.gz FOHPZQWPMGMXIC-SCTDSRPQSA-N 2 0 362.518 0.824 20 0 FCADRP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001070381841 1219406893 /nfs/dbraw/zinc/40/68/93/1219406893.db2.gz YDFQCXFIXQQFCY-AEFFLSMTSA-N 2 0 362.518 0.966 20 0 FCADRP CCN1CCO[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC)CC2)C1 ZINC001070383808 1219407877 /nfs/dbraw/zinc/40/78/77/1219407877.db2.gz NLFLPOUBENTVIQ-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070500687 1219440988 /nfs/dbraw/zinc/44/09/88/1219440988.db2.gz BXVGXAWDUJJEEC-SOLBZPMBSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070564189 1219471523 /nfs/dbraw/zinc/47/15/23/1219471523.db2.gz ZKJBWGLOVZXUAO-FUHWJXTLSA-N 2 0 371.489 0.297 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070663175 1219514201 /nfs/dbraw/zinc/51/42/01/1219514201.db2.gz QLRROQSGLLEYOH-ZACQAIPSSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCO ZINC001070664395 1219514877 /nfs/dbraw/zinc/51/48/77/1219514877.db2.gz OQNUEAIUXOHCNP-HZPDHXFCSA-N 2 0 354.414 0.258 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070697472 1219530193 /nfs/dbraw/zinc/53/01/93/1219530193.db2.gz DWZKYXIENNZFDF-ZACQAIPSSA-N 2 0 363.506 0.559 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CC1 ZINC001070706385 1219535593 /nfs/dbraw/zinc/53/55/93/1219535593.db2.gz OVALAPJXPDPCQB-IAGOWNOFSA-N 2 0 363.506 0.417 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070718028 1219540138 /nfs/dbraw/zinc/54/01/38/1219540138.db2.gz JKQRYRRNWBYTAA-BRWVUGGUSA-N 2 0 363.506 0.681 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001228216173 1225901237 /nfs/dbraw/zinc/90/12/37/1225901237.db2.gz TYLQZHSJXOYNNM-BRWVUGGUSA-N 2 0 363.506 0.603 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001070964669 1219584665 /nfs/dbraw/zinc/58/46/65/1219584665.db2.gz UGEFAGIJZNIPQT-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071055646 1219596515 /nfs/dbraw/zinc/59/65/15/1219596515.db2.gz PDBPVQGNHHGDRT-NUJGCVRESA-N 2 0 366.506 0.330 20 0 FCADRP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001071064445 1219597941 /nfs/dbraw/zinc/59/79/41/1219597941.db2.gz XDACUILVQQEEQY-MSOLQXFVSA-N 2 0 365.518 0.840 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001228270461 1225907527 /nfs/dbraw/zinc/90/75/27/1225907527.db2.gz QWPISOFDFYBDFM-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239632 1225904630 /nfs/dbraw/zinc/90/46/30/1225904630.db2.gz VXEAJYAJTCYKRO-MGPQQGTHSA-N 2 0 367.494 0.189 20 0 FCADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371088 1219767882 /nfs/dbraw/zinc/76/78/82/1219767882.db2.gz HKCJXONNUKXBGB-DLBZAZTESA-N 2 0 368.522 0.138 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n2nccc2[nH]1 ZINC001098400709 1219773965 /nfs/dbraw/zinc/77/39/65/1219773965.db2.gz KILBRXIFFQOLEJ-OAGGEKHMSA-N 2 0 370.457 0.340 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000750120223 1219858440 /nfs/dbraw/zinc/85/84/40/1219858440.db2.gz QQZCIRDMPGUORI-JVSBHGNQSA-N 2 0 368.566 0.294 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099123215 1219921680 /nfs/dbraw/zinc/92/16/80/1219921680.db2.gz YJZVWWXZTPWDDO-YRNRMSPPSA-N 2 0 360.502 0.674 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001228559598 1225933002 /nfs/dbraw/zinc/93/30/02/1225933002.db2.gz UVQOLFSCXLZJTJ-RBSFLKMASA-N 2 0 369.510 0.579 20 0 FCADRP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001099446073 1219998675 /nfs/dbraw/zinc/99/86/75/1219998675.db2.gz JBJCNOOVTOOGOE-IEZWGBDMSA-N 2 0 360.506 0.874 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001099445707 1219998947 /nfs/dbraw/zinc/99/89/47/1219998947.db2.gz CDUPSDAKCIRUBE-VPWXQRGCSA-N 2 0 362.518 0.968 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001099488136 1220012850 /nfs/dbraw/zinc/01/28/50/1220012850.db2.gz LSUSYVFTLUMXBN-QKLQHJQFSA-N 2 0 362.518 0.777 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001099525837 1220023219 /nfs/dbraw/zinc/02/32/19/1220023219.db2.gz BVGFRYVVAFIVQP-MPGHIAIKSA-N 2 0 361.494 0.270 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001099526661 1220024036 /nfs/dbraw/zinc/02/40/36/1220024036.db2.gz QCJGKBHJDGGXCP-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001099537314 1220027357 /nfs/dbraw/zinc/02/73/57/1220027357.db2.gz IQQJXOFCPUGGLJ-BXWFABGCSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)NC(N)=O ZINC001228647791 1225940775 /nfs/dbraw/zinc/94/07/75/1225940775.db2.gz ZJSOGNCSSWCCLB-MGPQQGTHSA-N 2 0 369.510 0.565 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285031 1220267022 /nfs/dbraw/zinc/26/70/22/1220267022.db2.gz LRAFVNPYFSDDSX-TYILLQQXSA-N 2 0 364.490 0.302 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305759 1220278484 /nfs/dbraw/zinc/27/84/84/1220278484.db2.gz QUIPDXXLKXLDBL-FUPNPVLKSA-N 2 0 363.502 0.666 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345047 1220296558 /nfs/dbraw/zinc/29/65/58/1220296558.db2.gz RAAUTGYPRWYYAG-LMMKCTJWSA-N 2 0 371.522 0.132 20 0 FCADRP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1 ZINC001101351521 1220298625 /nfs/dbraw/zinc/29/86/25/1220298625.db2.gz IVXAFFNAXVWRMY-QKLQHJQFSA-N 2 0 364.534 0.977 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363909 1220303000 /nfs/dbraw/zinc/30/30/00/1220303000.db2.gz FOLCBXJKEFJFSY-VPWXQRGCSA-N 2 0 362.518 0.635 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101366011 1220303923 /nfs/dbraw/zinc/30/39/23/1220303923.db2.gz WQDUPMNBKJRAMH-UWVAXJGDSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429927 1220339925 /nfs/dbraw/zinc/33/99/25/1220339925.db2.gz GVDCBFBPHWIMHH-HLIPFELVSA-N 2 0 364.534 0.881 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431378 1220341052 /nfs/dbraw/zinc/34/10/52/1220341052.db2.gz MCIFUJWKSFJCBE-GJYPPUQNSA-N 2 0 362.518 0.907 20 0 FCADRP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101432382 1220341117 /nfs/dbraw/zinc/34/11/17/1220341117.db2.gz PEKQLYIXNIWAEF-APWZRJJASA-N 2 0 361.490 0.644 20 0 FCADRP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431492 1220341574 /nfs/dbraw/zinc/34/15/74/1220341574.db2.gz QDVMPAAGYPFTFM-BEFAXECRSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432559 1220341783 /nfs/dbraw/zinc/34/17/83/1220341783.db2.gz VVCQWXVZHLYPLN-APWZRJJASA-N 2 0 368.522 0.212 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101435434 1220343634 /nfs/dbraw/zinc/34/36/34/1220343634.db2.gz OVTYNHRPHZCSFH-APWZRJJASA-N 2 0 365.522 0.524 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460463 1220359389 /nfs/dbraw/zinc/35/93/89/1220359389.db2.gz GRXJJWGCXATAIK-MDZRGWNJSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H](O)CCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981868 1220451262 /nfs/dbraw/zinc/45/12/62/1220451262.db2.gz WVVGEJIEKOWIJW-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102016014 1220463441 /nfs/dbraw/zinc/46/34/41/1220463441.db2.gz YJEARYABSHFVFP-DJIMGWMZSA-N 2 0 370.513 0.877 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091012 1220492627 /nfs/dbraw/zinc/49/26/27/1220492627.db2.gz NRKYPGNRRAZKBS-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273714 1220569965 /nfs/dbraw/zinc/56/99/65/1220569965.db2.gz NCCMILSFALWZPT-BRWVUGGUSA-N 2 0 368.522 0.304 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290924 1220575404 /nfs/dbraw/zinc/57/54/04/1220575404.db2.gz ZCSLLAYVDHLMQZ-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292722 1220575867 /nfs/dbraw/zinc/57/58/67/1220575867.db2.gz ZSYGUPOAGSEEIO-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314715 1220582935 /nfs/dbraw/zinc/58/29/35/1220582935.db2.gz WZFBCKCRPXLSQU-SJLPKXTDSA-N 2 0 360.502 0.939 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102367004 1220597142 /nfs/dbraw/zinc/59/71/42/1220597142.db2.gz YAAAZYIJBYCMHE-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001102373082 1220597775 /nfs/dbraw/zinc/59/77/75/1220597775.db2.gz ULYLTCRDJVGHIS-CLCXKQKWSA-N 2 0 370.513 0.971 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102495830 1220656931 /nfs/dbraw/zinc/65/69/31/1220656931.db2.gz PJZDBWIJFFZADW-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511140 1220670203 /nfs/dbraw/zinc/67/02/03/1220670203.db2.gz LAYYHZWQYPVRDJ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514394 1220673161 /nfs/dbraw/zinc/67/31/61/1220673161.db2.gz WAULKSZTTHGKIS-BRWVUGGUSA-N 2 0 370.538 0.504 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515452 1220674797 /nfs/dbraw/zinc/67/47/97/1220674797.db2.gz UQMQXQKZNULSOE-BRWVUGGUSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579880 1220701875 /nfs/dbraw/zinc/70/18/75/1220701875.db2.gz VIPSLFJJSVLMAA-HZPDHXFCSA-N 2 0 367.538 0.864 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102600965 1220722785 /nfs/dbraw/zinc/72/27/85/1220722785.db2.gz FICCYWOYMWAOMR-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783177 1220782611 /nfs/dbraw/zinc/78/26/11/1220782611.db2.gz YGQWNHWXADKZTP-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103733 1220833919 /nfs/dbraw/zinc/83/39/19/1220833919.db2.gz WVYWCIPKQVNFAA-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375040 1220872610 /nfs/dbraw/zinc/87/26/10/1220872610.db2.gz WIRFJVBKDSWOCJ-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396873 1220877081 /nfs/dbraw/zinc/87/70/81/1220877081.db2.gz NNMUXNYOJYWPPS-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395978 1220877444 /nfs/dbraw/zinc/87/74/44/1220877444.db2.gz WTWVRUVCRGAXRA-UKRRQHHQSA-N 2 0 364.494 0.024 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC001103439723 1220883392 /nfs/dbraw/zinc/88/33/92/1220883392.db2.gz QOABGXVTOVWHBD-SJLPKXTDSA-N 2 0 360.502 0.720 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001103456990 1220886739 /nfs/dbraw/zinc/88/67/39/1220886739.db2.gz QCVKLNRNWRTHNY-OWYHZJEWSA-N 2 0 372.513 0.891 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550150 1220899993 /nfs/dbraw/zinc/89/99/93/1220899993.db2.gz BDTUYEIHNNQBGT-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612709 1220913431 /nfs/dbraw/zinc/91/34/31/1220913431.db2.gz QUDBLDOPJABJGN-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643457 1220926101 /nfs/dbraw/zinc/92/61/01/1220926101.db2.gz KVPATXYSTCCCFE-ZACQAIPSSA-N 2 0 370.538 0.683 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001103647098 1220927264 /nfs/dbraw/zinc/92/72/64/1220927264.db2.gz UNKDYHNMDFVAFX-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648072 1220927548 /nfs/dbraw/zinc/92/75/48/1220927548.db2.gz SKGDIMKXAYVPIK-HUUCEWRRSA-N 2 0 361.490 0.972 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104202865 1221020750 /nfs/dbraw/zinc/02/07/50/1221020750.db2.gz SPZDRJJQAVWEFT-KYJSFNMBSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001104209661 1221022573 /nfs/dbraw/zinc/02/25/73/1221022573.db2.gz MADIXVHCUSNJSO-RBSFLKMASA-N 2 0 364.494 0.006 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCNC(C)=O)C2)[NH+](C)C ZINC001111789139 1221109767 /nfs/dbraw/zinc/10/97/67/1221109767.db2.gz ZDVBTISRNJWGBA-SCTDSRPQSA-N 2 0 368.522 0.450 20 0 FCADRP CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811864 1221123757 /nfs/dbraw/zinc/12/37/57/1221123757.db2.gz UEGSZNMMEPANKK-OXNJRSESSA-N 2 0 363.502 0.857 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111870887 1221144081 /nfs/dbraw/zinc/14/40/81/1221144081.db2.gz QYQKVPFHPWUNCY-KNBMTAEXSA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937908 1221178850 /nfs/dbraw/zinc/17/88/50/1221178850.db2.gz BEDBEJDEFWOUOW-YWZLYKJASA-N 2 0 362.518 0.968 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938268 1221178933 /nfs/dbraw/zinc/17/89/33/1221178933.db2.gz TWBNLAXVNNEXQR-JXFKEZNVSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C2 ZINC001111949764 1221182415 /nfs/dbraw/zinc/18/24/15/1221182415.db2.gz RSMSBZXKBWYUIA-DEYYWGMASA-N 2 0 367.494 0.143 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCC1 ZINC000782717063 1221183289 /nfs/dbraw/zinc/18/32/89/1221183289.db2.gz WQINTJFZMVITIZ-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001111983847 1221194081 /nfs/dbraw/zinc/19/40/81/1221194081.db2.gz SGDVXBNJEGIJJT-GUXCAODWSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009789 1221199521 /nfs/dbraw/zinc/19/95/21/1221199521.db2.gz UVYXYHZHVPSVJE-HKUYNNGSSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112285155 1221230462 /nfs/dbraw/zinc/23/04/62/1221230462.db2.gz OAUIQNUDZUZKDP-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC001229716445 1226030898 /nfs/dbraw/zinc/03/08/98/1226030898.db2.gz JDSAPGPPELKJJJ-QZTJIDSGSA-N 2 0 363.506 0.925 20 0 FCADRP Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001116709808 1221382046 /nfs/dbraw/zinc/38/20/46/1221382046.db2.gz SNEYGINOWKDEGS-UHFFFAOYSA-N 2 0 366.510 0.608 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001117954445 1221666055 /nfs/dbraw/zinc/66/60/55/1221666055.db2.gz ALPSDBDKVIAXFC-INIZCTEOSA-N 2 0 359.474 0.554 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC001118040381 1221695179 /nfs/dbraw/zinc/69/51/79/1221695179.db2.gz HTEDOCAFPAWUAN-FQEVSTJZSA-N 2 0 373.501 0.252 20 0 FCADRP C[C@H](C1CC1)N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001118064107 1221703030 /nfs/dbraw/zinc/70/30/30/1221703030.db2.gz NKMPLWMZMUNOFM-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(c2nnc3n2CCNC3)CC1 ZINC001118200520 1221731542 /nfs/dbraw/zinc/73/15/42/1221731542.db2.gz DJIIFTRQXXQEOQ-INIZCTEOSA-N 2 0 354.458 0.657 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001230256832 1226069034 /nfs/dbraw/zinc/06/90/34/1226069034.db2.gz BZELFYGLMXFTFS-BZUAXINKSA-N 2 0 364.490 0.685 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001230284745 1226071545 /nfs/dbraw/zinc/07/15/45/1226071545.db2.gz SRCUQDBDLVKIMD-HUUCEWRRSA-N 2 0 367.494 0.332 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001118928352 1221845742 /nfs/dbraw/zinc/84/57/42/1221845742.db2.gz LFZRJQJIRFLLER-XMTFNYHQSA-N 2 0 364.534 0.833 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC001119402099 1221912190 /nfs/dbraw/zinc/91/21/90/1221912190.db2.gz MWRRZZSSJJUONF-CRAIPNDOSA-N 2 0 358.486 0.808 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001119427442 1221916489 /nfs/dbraw/zinc/91/64/89/1221916489.db2.gz PUPSIGGGGBSAOA-FGTMMUONSA-N 2 0 358.486 0.963 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3ccnn3CC[NH+](C)C)CC2)CC1 ZINC001119593036 1221938062 /nfs/dbraw/zinc/93/80/62/1221938062.db2.gz ODTOMJGHPNERTA-UHFFFAOYSA-N 2 0 362.522 0.544 20 0 FCADRP CN1CC[NH+](CC2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)CC1 ZINC001119632951 1221942395 /nfs/dbraw/zinc/94/23/95/1221942395.db2.gz FCUFDASWGMQHEP-UHFFFAOYSA-N 2 0 364.534 0.583 20 0 FCADRP C([NH+]1CC[C@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913798 1221999236 /nfs/dbraw/zinc/99/92/36/1221999236.db2.gz UHGZCKZVYTWZHN-HOTGVXAUSA-N 2 0 368.474 0.393 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1c(F)cc(F)cc1F ZINC001119919327 1221999941 /nfs/dbraw/zinc/99/99/41/1221999941.db2.gz ZRDKCHNYNASUPF-UHFFFAOYSA-N 2 0 374.407 0.672 20 0 FCADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1[NH3+] ZINC001120590410 1222107465 /nfs/dbraw/zinc/10/74/65/1222107465.db2.gz OSLGRIWRFVOXIF-HZPDHXFCSA-N 2 0 361.494 0.367 20 0 FCADRP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001122137014 1222244277 /nfs/dbraw/zinc/24/42/77/1222244277.db2.gz UAAIRCKKJUKIPB-ZACQAIPSSA-N 3 0 367.538 0.295 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000828284771 1222399154 /nfs/dbraw/zinc/39/91/54/1222399154.db2.gz RXJJPWCREDARNI-BBWFWOEESA-N 2 0 366.506 0.345 20 0 FCADRP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](Cc1cncnc1)CC2 ZINC001137667703 1222415306 /nfs/dbraw/zinc/41/53/06/1222415306.db2.gz VWUWBVOBUSKIBN-UHFFFAOYSA-N 2 0 366.429 0.395 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3cnc(N)nc3)CC2)C1 ZINC001138164592 1222488118 /nfs/dbraw/zinc/48/81/18/1222488118.db2.gz YZGOBQWLHOHNJX-UHFFFAOYSA-N 2 0 362.478 0.061 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC(O)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832495624 1222531651 /nfs/dbraw/zinc/53/16/51/1222531651.db2.gz AJOIYOBJPQBEKW-QBPKDAKJSA-N 2 0 368.522 0.325 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C[C@H]2C(=O)N(C)C ZINC001232018550 1226136573 /nfs/dbraw/zinc/13/65/73/1226136573.db2.gz LSEJVICJDQHOIC-INIZCTEOSA-N 2 0 355.442 0.931 20 0 FCADRP C[C@@H](CC[NH+]1CCN2C(=O)OC[C@@H]2C1)CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000839507683 1222742587 /nfs/dbraw/zinc/74/25/87/1222742587.db2.gz KFTHFFWNCRCUFX-PHZGNYQRSA-N 2 0 366.462 0.676 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)CC1 ZINC000841018531 1222805425 /nfs/dbraw/zinc/80/54/25/1222805425.db2.gz VZEKZPBVNYGTQJ-GOSISDBHSA-N 2 0 360.506 0.935 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841143112 1222809649 /nfs/dbraw/zinc/80/96/49/1222809649.db2.gz INNUZIRAPXHFGX-HNNXBMFYSA-N 2 0 359.474 0.717 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000841151401 1222810009 /nfs/dbraw/zinc/81/00/09/1222810009.db2.gz UGARULQNLWUMHP-UHFFFAOYSA-N 2 0 359.474 0.589 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000841148956 1222810229 /nfs/dbraw/zinc/81/02/29/1222810229.db2.gz BLSLEUWWCOHWKO-INIZCTEOSA-N 2 0 359.474 0.587 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841160501 1222810855 /nfs/dbraw/zinc/81/08/55/1222810855.db2.gz HJRZLRQNKABVTD-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841164825 1222811317 /nfs/dbraw/zinc/81/13/17/1222811317.db2.gz XFRYPZKSRPDVHH-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000841169459 1222812045 /nfs/dbraw/zinc/81/20/45/1222812045.db2.gz LMFUTMRJXWAYFG-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841190041 1222812830 /nfs/dbraw/zinc/81/28/30/1222812830.db2.gz LUAHULYOYLXTFB-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841192786 1222812957 /nfs/dbraw/zinc/81/29/57/1222812957.db2.gz WZKQOLXHSGTLTK-UHFFFAOYSA-N 2 0 361.490 0.820 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000841200540 1222813300 /nfs/dbraw/zinc/81/33/00/1222813300.db2.gz OXLQVEINHNFITN-JKSUJKDBSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000841263874 1222816919 /nfs/dbraw/zinc/81/69/19/1222816919.db2.gz GSMYXQPNZCLBSE-QAPCUYQASA-N 2 0 371.485 0.587 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000842132456 1222836161 /nfs/dbraw/zinc/83/61/61/1222836161.db2.gz BXCBWDLAJOSQJP-XOYOTBSWSA-N 2 0 358.486 0.867 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000842513399 1222848441 /nfs/dbraw/zinc/84/84/41/1222848441.db2.gz XTAZZPRVZPPYFS-YESZJQIVSA-N 2 0 357.458 0.433 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386257 1222874511 /nfs/dbraw/zinc/87/45/11/1222874511.db2.gz DVCFXBDSTMGDAF-IAGOWNOFSA-N 2 0 366.506 0.999 20 0 FCADRP O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000843499298 1222878846 /nfs/dbraw/zinc/87/88/46/1222878846.db2.gz YQGYOCMNEOXVAJ-INIZCTEOSA-N 2 0 362.474 0.678 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](COCc1ccccc1)[NH2+]C ZINC001157081876 1223067472 /nfs/dbraw/zinc/06/74/72/1223067472.db2.gz DJEUEZBYFDBJFD-IRXDYDNUSA-N 2 0 374.441 0.805 20 0 FCADRP Cc1cnc(N([C@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)nc1C1C[NH2+]C1 ZINC001157122014 1223068391 /nfs/dbraw/zinc/06/83/91/1223068391.db2.gz WASXUUYTOPHEQG-AWEZNQCLSA-N 2 0 374.470 0.424 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1)C(=O)N1CCCC1 ZINC001157369137 1223074973 /nfs/dbraw/zinc/07/49/73/1223074973.db2.gz OXAYGHSFAFRKAL-SQNIBIBYSA-N 2 0 373.501 0.968 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)N1CCCC1 ZINC001157371233 1223075367 /nfs/dbraw/zinc/07/53/67/1223075367.db2.gz QGMIIYWIDGTBGY-HOTGVXAUSA-N 3 0 365.522 0.097 20 0 FCADRP Cc1ccc(C)c(N2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)c1 ZINC001157473958 1223077222 /nfs/dbraw/zinc/07/72/22/1223077222.db2.gz GYMYJQPFYIPGDJ-GOSISDBHSA-N 2 0 359.518 0.702 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001157720215 1223081235 /nfs/dbraw/zinc/08/12/35/1223081235.db2.gz CRMPVWIXEXXFSO-QGZVFWFLSA-N 2 0 360.458 0.229 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780162 1223082412 /nfs/dbraw/zinc/08/24/12/1223082412.db2.gz CLKBQTHNLIMPNL-RLFYNMQTSA-N 2 0 372.485 0.147 20 0 FCADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001157842084 1223082639 /nfs/dbraw/zinc/08/26/39/1223082639.db2.gz IYWNJXPJAXEWCS-JYJNAYRXSA-N 2 0 361.490 0.895 20 0 FCADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960416 1223084960 /nfs/dbraw/zinc/08/49/60/1223084960.db2.gz KJBOWFWICVUAAM-IRXDYDNUSA-N 2 0 366.469 0.702 20 0 FCADRP C[N@@H+]1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959424 1223085009 /nfs/dbraw/zinc/08/50/09/1223085009.db2.gz BHVUKXXRLGKXDV-MSOLQXFVSA-N 3 0 358.486 0.612 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959425 1223085204 /nfs/dbraw/zinc/08/52/04/1223085204.db2.gz BHVUKXXRLGKXDV-QZTJIDSGSA-N 3 0 358.486 0.612 20 0 FCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971453 1223085551 /nfs/dbraw/zinc/08/55/51/1223085551.db2.gz YMEVVPYQBVOSLC-OKZBNKHCSA-N 2 0 356.470 0.903 20 0 FCADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001158071061 1223087981 /nfs/dbraw/zinc/08/79/81/1223087981.db2.gz SUZVOIHGSFSGGO-UHFFFAOYSA-N 2 0 358.486 0.975 20 0 FCADRP O=C([C@@H](c1ccco1)N1CCC[NH2+]CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071059 1223087987 /nfs/dbraw/zinc/08/79/87/1223087987.db2.gz SSMNWAPYIKNJGA-QGZVFWFLSA-N 2 0 362.474 0.597 20 0 FCADRP O=C(c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158082233 1223088335 /nfs/dbraw/zinc/08/83/35/1223088335.db2.gz MHHMKTYEHDZNJY-IRXDYDNUSA-N 2 0 370.453 0.080 20 0 FCADRP O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001158100977 1223088884 /nfs/dbraw/zinc/08/88/84/1223088884.db2.gz DZFIEJWPPYXICS-HXUWFJFHSA-N 2 0 374.460 0.429 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H](c2ccccc2)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119372 1223089342 /nfs/dbraw/zinc/08/93/42/1223089342.db2.gz GPFHDKRBFXORGC-LLGFUMIMSA-N 2 0 368.481 0.318 20 0 FCADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119927 1223089479 /nfs/dbraw/zinc/08/94/79/1223089479.db2.gz JMAXKMRSPRMJNY-HKUYNNGSSA-N 2 0 360.433 0.024 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC001158118549 1223089804 /nfs/dbraw/zinc/08/98/04/1223089804.db2.gz AGYNGWDUALHLPK-DUVUSLHFSA-N 2 0 372.513 0.468 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167458 1223090090 /nfs/dbraw/zinc/09/00/90/1223090090.db2.gz JSRZSFGHCWZWLQ-NZSAHSFTSA-N 2 0 369.469 0.248 20 0 FCADRP Cc1ccc([C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)N2CCC([NH3+])CC2)cc1 ZINC001158180475 1223090478 /nfs/dbraw/zinc/09/04/78/1223090478.db2.gz XGNFQNJQAZWTLY-MISYRCLQSA-N 2 0 372.513 0.906 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cc(=O)oc2c1 ZINC001158215825 1223091033 /nfs/dbraw/zinc/09/10/33/1223091033.db2.gz PTDHKWFJDVGLNW-HRCADAONSA-N 2 0 357.410 0.634 20 0 FCADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261730 1223092168 /nfs/dbraw/zinc/09/21/68/1223092168.db2.gz OQDDQLTYQZSJAU-OAHLLOKOSA-N 2 0 358.421 0.408 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001158277736 1223093582 /nfs/dbraw/zinc/09/35/82/1223093582.db2.gz UFHDRMJRTIZLGX-INIZCTEOSA-N 2 0 370.457 0.278 20 0 FCADRP O=C(c1cccnc1N1CCO[C@@H](C[NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC001158309634 1223094342 /nfs/dbraw/zinc/09/43/42/1223094342.db2.gz PQMRYVAHRIPAKI-INIZCTEOSA-N 2 0 359.474 0.428 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)cc1 ZINC001158336003 1223094887 /nfs/dbraw/zinc/09/48/87/1223094887.db2.gz FVUHHLAKHSPTGM-GBESFXJTSA-N 2 0 364.449 0.753 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001158411228 1223097038 /nfs/dbraw/zinc/09/70/38/1223097038.db2.gz AVQNFVUQAGCTNP-UONOGXRCSA-N 2 0 367.494 0.143 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001158413133 1223097140 /nfs/dbraw/zinc/09/71/40/1223097140.db2.gz WGRRFFOAHIKQSL-LSDHHAIUSA-N 2 0 369.510 0.294 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC001158424468 1223097355 /nfs/dbraw/zinc/09/73/55/1223097355.db2.gz RZHXKIUCMGWPPV-OWSLCNJRSA-N 2 0 356.470 0.429 20 0 FCADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C2 ZINC001158429816 1223097858 /nfs/dbraw/zinc/09/78/58/1223097858.db2.gz BOUUKQCRXMGGRT-ZDUSSCGKSA-N 2 0 366.466 0.293 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)O)C2 ZINC001158480483 1223099287 /nfs/dbraw/zinc/09/92/87/1223099287.db2.gz WKUFHTKWXYTYLD-MMMWYMCRSA-N 2 0 367.490 0.127 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C1([NH3+])CC(F)C1)C2 ZINC001158479355 1223099342 /nfs/dbraw/zinc/09/93/42/1223099342.db2.gz JKWFWLGJNJJRFU-RUAQEJLXSA-N 2 0 367.465 0.987 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC001158497778 1223100941 /nfs/dbraw/zinc/10/09/41/1223100941.db2.gz HRPQCIFYTRQJKU-KKBVYLPWSA-N 2 0 361.417 0.765 20 0 FCADRP O=C(c1cccc(N2CC[NH2+]CC2)c1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545643 1223101692 /nfs/dbraw/zinc/10/16/92/1223101692.db2.gz HQKUWROVMCXRGN-YVWKXTFCSA-N 2 0 356.470 0.689 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533815 1223101760 /nfs/dbraw/zinc/10/17/60/1223101760.db2.gz QEJIVNVWSQNBJN-DCXXXQMHSA-N 2 0 372.513 0.862 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001158568405 1223102292 /nfs/dbraw/zinc/10/22/92/1223102292.db2.gz OZZNCSJMHJVRNL-RRFJBIMHSA-N 2 0 361.465 0.670 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661098 1223104708 /nfs/dbraw/zinc/10/47/08/1223104708.db2.gz WCWYTWDMLYYNNQ-AAEUAGOBSA-N 2 0 360.393 0.734 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@H]1F)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661658 1223104907 /nfs/dbraw/zinc/10/49/07/1223104907.db2.gz YFTIETSMPBUYJR-WCQYABFASA-N 2 0 360.393 0.591 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891373 1223111946 /nfs/dbraw/zinc/11/19/46/1223111946.db2.gz YBQBFGBPSLWDRB-YEWWUXTCSA-N 2 0 374.420 0.368 20 0 FCADRP NC1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901870 1223111970 /nfs/dbraw/zinc/11/19/70/1223111970.db2.gz ILKAUARLVCTBQG-SUMWQHHRSA-N 2 0 363.437 0.156 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103779 1223117129 /nfs/dbraw/zinc/11/71/29/1223117129.db2.gz WYEKQDCMUCWDRI-HNNXBMFYSA-N 2 0 359.478 0.230 20 0 FCADRP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159125798 1223117926 /nfs/dbraw/zinc/11/79/26/1223117926.db2.gz ITQAWVCZLRSJET-GOEBONIOSA-N 2 0 364.494 0.482 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132624 1223118660 /nfs/dbraw/zinc/11/86/60/1223118660.db2.gz BVKIZIXXYXVDET-IRXDYDNUSA-N 3 0 364.538 0.899 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001159135575 1223118766 /nfs/dbraw/zinc/11/87/66/1223118766.db2.gz XFXMLVBDMVLTAH-RCCFBDPRSA-N 2 0 374.533 0.477 20 0 FCADRP CC(C)C[C@@](C)([NH3+])C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159191499 1223120228 /nfs/dbraw/zinc/12/02/28/1223120228.db2.gz WBROSBXLYROASH-GOSISDBHSA-N 2 0 365.478 0.614 20 0 FCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001159191024 1223120312 /nfs/dbraw/zinc/12/03/12/1223120312.db2.gz QGFJBXRBQISILX-TZMCWYRMSA-N 2 0 363.462 0.239 20 0 FCADRP [NH3+][C@@H](C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159210150 1223120603 /nfs/dbraw/zinc/12/06/03/1223120603.db2.gz OYUJNXIDMNILKE-BSDSXHPESA-N 2 0 360.458 0.151 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001159284487 1223123056 /nfs/dbraw/zinc/12/30/56/1223123056.db2.gz YWXMOIABPACERW-QAPCUYQASA-N 2 0 372.473 0.772 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnccn2)[C@H](O)OC(C)(C)C)C1 ZINC001159344404 1223124892 /nfs/dbraw/zinc/12/48/92/1223124892.db2.gz UTTAEYXCOASZTQ-CUINURIISA-N 2 0 367.494 0.750 20 0 FCADRP Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159367866 1223125193 /nfs/dbraw/zinc/12/51/93/1223125193.db2.gz LVIOJVNGOCKJQB-WBVHZDCISA-N 2 0 372.473 0.524 20 0 FCADRP [NH3+][C@@H](CC1CCC1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402267 1223125931 /nfs/dbraw/zinc/12/59/31/1223125931.db2.gz GKQHVAWRFNYLRD-LUKYLMHMSA-N 2 0 359.474 0.952 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@]1(C)CC[NH2+]C1)CCC2 ZINC001159493375 1223128802 /nfs/dbraw/zinc/12/88/02/1223128802.db2.gz MXWDZBZOEXBBPC-IBGZPJMESA-N 2 0 361.490 0.815 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159565519 1223129770 /nfs/dbraw/zinc/12/97/70/1223129770.db2.gz FTMMOTUMCUFLBB-HNNXBMFYSA-N 2 0 370.457 0.076 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159561163 1223130018 /nfs/dbraw/zinc/13/00/18/1223130018.db2.gz XQZGETDGZUDBNT-HNNXBMFYSA-N 2 0 374.489 0.126 20 0 FCADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664493 1223132701 /nfs/dbraw/zinc/13/27/01/1223132701.db2.gz FJXVZWWBNJXECF-MHORFTMASA-N 2 0 362.449 0.973 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663980 1223133196 /nfs/dbraw/zinc/13/31/96/1223133196.db2.gz BQIZCFDLZZSMRT-KURKYZTESA-N 2 0 360.458 0.262 20 0 FCADRP Cn1cc(N2C[C@@]3(CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C3)CC2=O)cn1 ZINC001159756440 1223135771 /nfs/dbraw/zinc/13/57/71/1223135771.db2.gz CZFMVQUJTDZUGD-KSSFIOAISA-N 2 0 362.478 0.222 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769747 1223136124 /nfs/dbraw/zinc/13/61/24/1223136124.db2.gz NIQGQSGXNUOLAE-HZMVEIRTSA-N 2 0 366.506 0.330 20 0 FCADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC[C@H]21 ZINC001159781002 1223136453 /nfs/dbraw/zinc/13/64/53/1223136453.db2.gz FRDZPBHOHJFJTK-IXDOHACOSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC[C@@H]21 ZINC001159781001 1223136556 /nfs/dbraw/zinc/13/65/56/1223136556.db2.gz FRDZPBHOHJFJTK-IKGGRYGDSA-N 2 0 362.518 0.966 20 0 FCADRP [NH3+]C[C@@H](O)CC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159887451 1223138879 /nfs/dbraw/zinc/13/88/79/1223138879.db2.gz VVXHRGOJYJEEQN-DOTOQJQBSA-N 2 0 368.428 0.851 20 0 FCADRP O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001159929689 1223140064 /nfs/dbraw/zinc/14/00/64/1223140064.db2.gz IWIGCLFQDNJYRF-CZDRUDQFSA-N 2 0 372.469 0.761 20 0 FCADRP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]12 ZINC001159993749 1223142488 /nfs/dbraw/zinc/14/24/88/1223142488.db2.gz QNINRAXRHOKILK-GGPKGHCWSA-N 2 0 358.486 0.844 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160050725 1223143383 /nfs/dbraw/zinc/14/33/83/1223143383.db2.gz DPPFTCCOQFURGQ-SFHVURJKSA-N 2 0 369.513 0.705 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1)C1CC[NH2+]CC1 ZINC001160050652 1223143448 /nfs/dbraw/zinc/14/34/48/1223143448.db2.gz ZHLJLBLFEOXJLP-WSTZPKSXSA-N 2 0 374.485 0.400 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110603 1223145806 /nfs/dbraw/zinc/14/58/06/1223145806.db2.gz NODCASASTRJHIX-DLBZAZTESA-N 2 0 371.485 0.373 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001160168809 1223146900 /nfs/dbraw/zinc/14/69/00/1223146900.db2.gz AMUVKSMYWQPZGU-NVXWUHKLSA-N 2 0 363.506 0.490 20 0 FCADRP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001160323184 1223155080 /nfs/dbraw/zinc/15/50/80/1223155080.db2.gz JFAOJTNVEZVDQZ-CABCVRRESA-N 2 0 374.489 0.032 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1F)C1CC[NH2+]CC1 ZINC001160420741 1223158286 /nfs/dbraw/zinc/15/82/86/1223158286.db2.gz KJUZNIGGIBQFQZ-OAHLLOKOSA-N 2 0 360.433 0.965 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423165 1223158873 /nfs/dbraw/zinc/15/88/73/1223158873.db2.gz KQLQSLNTENZJER-QXCFHYIPSA-N 2 0 357.502 0.702 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001160421617 1223159034 /nfs/dbraw/zinc/15/90/34/1223159034.db2.gz CEIKVMPNZMYLRZ-VKSUQKOCSA-N 2 0 357.502 0.830 20 0 FCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160459540 1223160926 /nfs/dbraw/zinc/16/09/26/1223160926.db2.gz NDJGLWNURQHIPO-HOTGVXAUSA-N 2 0 368.522 0.578 20 0 FCADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CCC([NH3+])CC1 ZINC001160505370 1223163386 /nfs/dbraw/zinc/16/33/86/1223163386.db2.gz XWEYKNLZTNMBGI-SFHVURJKSA-N 2 0 357.458 0.877 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566641 1223164690 /nfs/dbraw/zinc/16/46/90/1223164690.db2.gz VBPWSBHSPOUPHN-MRXNPFEDSA-N 2 0 354.458 0.016 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2nccc3occc32)CC1 ZINC001160589904 1223166149 /nfs/dbraw/zinc/16/61/49/1223166149.db2.gz CWSXZZMMLLOEPW-MRXNPFEDSA-N 2 0 372.473 0.227 20 0 FCADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001160697783 1223168789 /nfs/dbraw/zinc/16/87/89/1223168789.db2.gz CSSZMGDOERUNMO-CZUORRHYSA-N 2 0 358.446 0.462 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)C[C@H]1C2 ZINC001160792598 1223173248 /nfs/dbraw/zinc/17/32/48/1223173248.db2.gz WHEPZBZZCODRIZ-KSZKVXGTSA-N 2 0 369.465 0.558 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cccc4c[nH+]cn43)C[C@H]1C2 ZINC001160803505 1223174025 /nfs/dbraw/zinc/17/40/25/1223174025.db2.gz DXGNUGZZCFRGPD-JUIVLLAYSA-N 2 0 354.410 0.805 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]3C[NH2+]Cc4cccn4C3)C[C@H]1C[NH2+]CC2 ZINC001160806341 1223174680 /nfs/dbraw/zinc/17/46/80/1223174680.db2.gz OUIXQGWXUODTCC-JXXFODFXSA-N 2 0 374.485 0.599 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C1CC[NH2+]CC1 ZINC001160905621 1223180454 /nfs/dbraw/zinc/18/04/54/1223180454.db2.gz RWBXVBDGIDSYIK-KRWDZBQOSA-N 2 0 370.457 0.282 20 0 FCADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2)CC1 ZINC001161047691 1223184157 /nfs/dbraw/zinc/18/41/57/1223184157.db2.gz LFKXVBRLMMHAFB-YOEHRIQHSA-N 2 0 368.522 0.171 20 0 FCADRP COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001161147084 1223187104 /nfs/dbraw/zinc/18/71/04/1223187104.db2.gz VCFJKPMPWXCVMZ-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196353 1223188534 /nfs/dbraw/zinc/18/85/34/1223188534.db2.gz DLJBKQKOLJZETI-ZWKOTPCHSA-N 2 0 370.513 0.485 20 0 FCADRP CC1(C)[C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161196567 1223188562 /nfs/dbraw/zinc/18/85/62/1223188562.db2.gz MXZFWVBTEXMHLZ-ROUUACIJSA-N 2 0 366.550 0.910 20 0 FCADRP O=C(N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001161196812 1223189406 /nfs/dbraw/zinc/18/94/06/1223189406.db2.gz SGBIXSOLKXGZLL-AZUAARDMSA-N 2 0 364.534 0.537 20 0 FCADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161203386 1223190021 /nfs/dbraw/zinc/19/00/21/1223190021.db2.gz CYNPAAPLEHDXCW-MRXNPFEDSA-N 2 0 373.505 0.162 20 0 FCADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001161246361 1223192216 /nfs/dbraw/zinc/19/22/16/1223192216.db2.gz JYEJNHCWLJLSIS-KBXCAEBGSA-N 2 0 363.389 0.658 20 0 FCADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)nc1 ZINC001161299534 1223194247 /nfs/dbraw/zinc/19/42/47/1223194247.db2.gz WRDWFRVGAPXVEY-UKRRQHHQSA-N 2 0 361.446 0.339 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C2CC[NH2+]CC2)n1 ZINC001161301955 1223194383 /nfs/dbraw/zinc/19/43/83/1223194383.db2.gz CGYVLLCPXZMDGX-KRWDZBQOSA-N 3 0 360.506 0.225 20 0 FCADRP COc1cc(C)nc(N(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309403 1223195124 /nfs/dbraw/zinc/19/51/24/1223195124.db2.gz PJSGXZOPLLPVLO-AWEZNQCLSA-N 3 0 364.494 0.725 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001161360018 1223196573 /nfs/dbraw/zinc/19/65/73/1223196573.db2.gz SHMQLIYJDRLMML-HOTGVXAUSA-N 2 0 369.469 0.834 20 0 FCADRP CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC001161333682 1223196691 /nfs/dbraw/zinc/19/66/91/1223196691.db2.gz WEDCAOARLYEPCS-CVEARBPZSA-N 2 0 361.490 0.910 20 0 FCADRP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378829 1223197414 /nfs/dbraw/zinc/19/74/14/1223197414.db2.gz NHUOIOXZMIWVGD-LZQZEXGQSA-N 2 0 360.502 0.943 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379927 1223197984 /nfs/dbraw/zinc/19/79/84/1223197984.db2.gz RWBVBTIJDXLOEL-VQIMIIECSA-N 3 0 363.550 0.474 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414429 1223198283 /nfs/dbraw/zinc/19/82/83/1223198283.db2.gz WUDRHHCIAPGBNC-RPZXMPESSA-N 2 0 369.469 0.350 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC001161412108 1223198540 /nfs/dbraw/zinc/19/85/40/1223198540.db2.gz GCEMMXHCJDGIBE-FKSAFCJBSA-N 2 0 371.437 0.867 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC001161423466 1223198921 /nfs/dbraw/zinc/19/89/21/1223198921.db2.gz AXCVYUAPZCOZCO-SQNIBIBYSA-N 2 0 356.470 0.382 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1)CC2 ZINC001161477676 1223200762 /nfs/dbraw/zinc/20/07/62/1223200762.db2.gz FYBLXYLOHHWTOD-MUKKUYKPSA-N 2 0 374.441 0.190 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC2 ZINC001161480606 1223200811 /nfs/dbraw/zinc/20/08/11/1223200811.db2.gz PMBKVPWDXJFPFH-FHSNZYRGSA-N 2 0 369.462 0.189 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]([NH3+])c1ccc(OC)nc1)CC2 ZINC001161480558 1223201061 /nfs/dbraw/zinc/20/10/61/1223201061.db2.gz UVLVWJFILCYVHV-DEYYWGMASA-N 2 0 362.430 0.234 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001161478511 1223201073 /nfs/dbraw/zinc/20/10/73/1223201073.db2.gz ILHNGDUKVQMDKY-PXNSSMCTSA-N 2 0 372.469 0.463 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1Cc3cc(O)ccc3C[NH2+]1)CC2 ZINC001161480546 1223201083 /nfs/dbraw/zinc/20/10/83/1223201083.db2.gz UVBUALOTICQWNI-BXWFABGCSA-N 2 0 359.426 0.160 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NCCCN1CC[NH+](C)CC1 ZINC001161703333 1223207294 /nfs/dbraw/zinc/20/72/94/1223207294.db2.gz CYGOPZCYWPJOFK-UHFFFAOYSA-N 2 0 362.522 0.813 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(NCC[C@H]3CCOC34C[NH2+]C4)nn2)CC1 ZINC001163087607 1223225567 /nfs/dbraw/zinc/22/55/67/1223225567.db2.gz PSVBMYRNXUIRFO-AWEZNQCLSA-N 2 0 374.489 0.481 20 0 FCADRP COC(=O)[C@@H]1C[C@H](Nc2nc3ccccc3nc2N2CCN(C)CC2)CN1 ZINC001164302064 1223236993 /nfs/dbraw/zinc/23/69/93/1223236993.db2.gz LWYRHRHRDSNFEI-BBRMVZONSA-N 2 0 370.457 0.697 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001164575611 1223240201 /nfs/dbraw/zinc/24/02/01/1223240201.db2.gz DCJZDLUEMGAZNR-BRWVUGGUSA-N 2 0 363.506 0.460 20 0 FCADRP O=C(CN1CCN(c2ccc(N3CC[NH2+]CC3)cn2)CC1)N1CCCC1 ZINC001165058782 1223241005 /nfs/dbraw/zinc/24/10/05/1223241005.db2.gz ZXKMEIFWLFOYTA-UHFFFAOYSA-N 2 0 358.490 0.236 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728017 1223255713 /nfs/dbraw/zinc/25/57/13/1223255713.db2.gz LTESZAQLCLIDKX-HZPDHXFCSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001205151739 1223313531 /nfs/dbraw/zinc/31/35/31/1223313531.db2.gz WQJWVUXRXBWQPV-GUDVDZBRSA-N 2 0 363.502 0.783 20 0 FCADRP CC[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001205196203 1223316091 /nfs/dbraw/zinc/31/60/91/1223316091.db2.gz WQJWVUXRXBWQPV-IPMKNSEASA-N 2 0 363.502 0.783 20 0 FCADRP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001205204264 1223316536 /nfs/dbraw/zinc/31/65/36/1223316536.db2.gz ULQULWHHRNDHPD-QXAKKESOSA-N 2 0 363.502 0.783 20 0 FCADRP CC(=O)NCCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334252 1223320105 /nfs/dbraw/zinc/32/01/05/1223320105.db2.gz IMRKACLIHRBNEF-CRAIPNDOSA-N 2 0 368.522 0.308 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001205432087 1223323454 /nfs/dbraw/zinc/32/34/54/1223323454.db2.gz BYTVLKIZHSTPPG-GVDBMIGSSA-N 2 0 362.449 0.550 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001205510865 1223329177 /nfs/dbraw/zinc/32/91/77/1223329177.db2.gz LAJRQBNJICOPHN-YESZJQIVSA-N 2 0 365.518 0.648 20 0 FCADRP COCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519665 1223330687 /nfs/dbraw/zinc/33/06/87/1223330687.db2.gz ZPTMTSNQOTUHBT-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP CCn1cc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cn1 ZINC001205532843 1223330864 /nfs/dbraw/zinc/33/08/64/1223330864.db2.gz IJBUJNJJZNTEPF-UHFFFAOYSA-N 2 0 363.506 0.906 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205668784 1223334381 /nfs/dbraw/zinc/33/43/81/1223334381.db2.gz REJADXZYADGNRK-DOTOQJQBSA-N 2 0 364.465 0.798 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205674342 1223334441 /nfs/dbraw/zinc/33/44/41/1223334441.db2.gz LXCUNUYSVLWQIV-QILLFSRXSA-N 2 0 367.465 0.669 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205678444 1223334723 /nfs/dbraw/zinc/33/47/23/1223334723.db2.gz GZCAHQGUGBHDNF-DOTOQJQBSA-N 2 0 364.465 0.798 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC001205742236 1223337525 /nfs/dbraw/zinc/33/75/25/1223337525.db2.gz MDPJDWHOWZTDMN-UHFFFAOYSA-N 2 0 365.526 0.934 20 0 FCADRP O=C(N[C@H]1CCO[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1)c1cnccn1 ZINC001207435167 1223446839 /nfs/dbraw/zinc/44/68/39/1223446839.db2.gz JAOSTKLWCUIUHO-QFBILLFUSA-N 2 0 359.474 0.830 20 0 FCADRP COc1ncc(CN2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1F ZINC001276549835 1223493240 /nfs/dbraw/zinc/49/32/40/1223493240.db2.gz HCVMUVAKVHQNFV-SFHVURJKSA-N 2 0 366.437 0.594 20 0 FCADRP CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207966841 1223500692 /nfs/dbraw/zinc/50/06/92/1223500692.db2.gz NPQFPLUNMWUFKK-CZUORRHYSA-N 2 0 356.430 0.454 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092061 1223515342 /nfs/dbraw/zinc/51/53/42/1223515342.db2.gz IEJBKBKVHQRINU-HHXXYDBFSA-N 2 0 363.502 0.848 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208574678 1223559047 /nfs/dbraw/zinc/55/90/47/1223559047.db2.gz FAUYTZFPRXDPQR-RBSFLKMASA-N 2 0 367.494 0.095 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604188 1223562012 /nfs/dbraw/zinc/56/20/12/1223562012.db2.gz CYDCCRJKLWBGNE-IXDOHACOSA-N 2 0 371.522 0.179 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208609068 1223562389 /nfs/dbraw/zinc/56/23/89/1223562389.db2.gz UIYDOFZBDKRYFP-INIZCTEOSA-N 2 0 360.502 0.679 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612429 1223563924 /nfs/dbraw/zinc/56/39/24/1223563924.db2.gz IANPSBZZRIKICL-MKXGPGLRSA-N 2 0 365.518 0.772 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738932 1223574845 /nfs/dbraw/zinc/57/48/45/1223574845.db2.gz LWRWROGBCIGIAU-KZNAEPCWSA-N 2 0 363.506 0.821 20 0 FCADRP CC(C)=CCN1C[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276629927 1223608012 /nfs/dbraw/zinc/60/80/12/1223608012.db2.gz FGHJCHMJFQTADY-HXUWFJFHSA-N 2 0 364.534 0.893 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209699330 1223642099 /nfs/dbraw/zinc/64/20/99/1223642099.db2.gz ZKTAVDGXJPVMNT-KZNAEPCWSA-N 2 0 371.522 0.179 20 0 FCADRP CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836979 1223653014 /nfs/dbraw/zinc/65/30/14/1223653014.db2.gz TVGQVQGMGJCSLK-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001276676060 1223658864 /nfs/dbraw/zinc/65/88/64/1223658864.db2.gz SBPGWPGWOFYOMN-UHFFFAOYSA-N 2 0 366.506 0.111 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315008 1223682056 /nfs/dbraw/zinc/68/20/56/1223682056.db2.gz HYSGQIVPOAYKGE-NVXWUHKLSA-N 2 0 363.506 0.662 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301731 1223733512 /nfs/dbraw/zinc/73/35/12/1223733512.db2.gz ZTOVRKZXWHGMRR-FGTMMUONSA-N 2 0 363.506 0.557 20 0 FCADRP CN(Cc1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1)C(=O)C[NH3+] ZINC001211362373 1223736837 /nfs/dbraw/zinc/73/68/37/1223736837.db2.gz XVTFJAMQKZPEGX-UHFFFAOYSA-N 2 0 358.446 0.401 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444329 1223742852 /nfs/dbraw/zinc/74/28/52/1223742852.db2.gz VHHUUHMRRYZBLY-QLFBSQMISA-N 2 0 367.494 0.272 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001211450255 1223743582 /nfs/dbraw/zinc/74/35/82/1223743582.db2.gz POSBSVKARAPJBV-BRWVUGGUSA-N 2 0 368.478 0.124 20 0 FCADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213338069 1223787651 /nfs/dbraw/zinc/78/76/51/1223787651.db2.gz PPWVUSAAPTTWTF-HZPDHXFCSA-N 2 0 362.474 0.043 20 0 FCADRP c1cc(-c2noc(-c3cnc(N4CC[NH2+]CC4)cn3)n2)nc2c1C[NH2+]CC2 ZINC001213597977 1223820513 /nfs/dbraw/zinc/82/05/13/1223820513.db2.gz AHSPCZSCCICUCP-UHFFFAOYSA-N 2 0 364.413 0.644 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638329 1223825991 /nfs/dbraw/zinc/82/59/91/1223825991.db2.gz JCGHPXJWSPPXNG-CGTJXYLNSA-N 2 0 369.506 0.482 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759481 1223845306 /nfs/dbraw/zinc/84/53/06/1223845306.db2.gz NIKOFNXSYMORNY-USXIJHARSA-N 2 0 370.538 0.837 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863033 1223864064 /nfs/dbraw/zinc/86/40/64/1223864064.db2.gz ADFGCYNIMCSTOU-RCCFBDPRSA-N 2 0 371.522 0.585 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597525 1223924663 /nfs/dbraw/zinc/92/46/63/1223924663.db2.gz LGSTZNGXFSSCJD-RBSFLKMASA-N 2 0 367.494 0.141 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214610958 1223926076 /nfs/dbraw/zinc/92/60/76/1223926076.db2.gz IKJMUOIVAXESJK-RBSFLKMASA-N 2 0 363.462 0.922 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001214847674 1223947894 /nfs/dbraw/zinc/94/78/94/1223947894.db2.gz NKZZDUBBCMYNRC-OWCLPIDISA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001214957159 1223959678 /nfs/dbraw/zinc/95/96/78/1223959678.db2.gz XLUCAPVWXCUZOX-BZUAXINKSA-N 2 0 368.522 0.258 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969228 1223960850 /nfs/dbraw/zinc/96/08/50/1223960850.db2.gz MDZVZPLHDRUCSZ-KFWWJZLASA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215184608 1223980601 /nfs/dbraw/zinc/98/06/01/1223980601.db2.gz LARHDUZYSNWXAJ-LVPSCPSHSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001215199724 1223981506 /nfs/dbraw/zinc/98/15/06/1223981506.db2.gz BGDRRWCBFJHUJE-BRWVUGGUSA-N 2 0 364.490 0.985 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001215200125 1223981690 /nfs/dbraw/zinc/98/16/90/1223981690.db2.gz QDSIEIVUKAIJHN-BZUAXINKSA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215224731 1223984008 /nfs/dbraw/zinc/98/40/08/1223984008.db2.gz XANQOZIJULRCLY-LSBZLQRGSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215407613 1223997507 /nfs/dbraw/zinc/99/75/07/1223997507.db2.gz KUOYWCAGUIZGQT-CZUORRHYSA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001215463111 1224000688 /nfs/dbraw/zinc/00/06/88/1224000688.db2.gz ICLGAIDNGMJZFP-BHIYHBOVSA-N 2 0 363.502 0.952 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215476760 1224001231 /nfs/dbraw/zinc/00/12/31/1224001231.db2.gz UTCKRXGSILNHDD-IIAWOOMASA-N 2 0 369.510 0.245 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557952 1224005708 /nfs/dbraw/zinc/00/57/08/1224005708.db2.gz GGJNVYKABVOZBU-SOLBZPMBSA-N 2 0 360.502 0.732 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604461 1224009231 /nfs/dbraw/zinc/00/92/31/1224009231.db2.gz BZMBSBHHAJFWQM-NRSFXHEJSA-N 2 0 358.486 0.514 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774401 1224017650 /nfs/dbraw/zinc/01/76/50/1224017650.db2.gz OCTWNYIULRKECO-KFWWJZLASA-N 2 0 367.494 0.141 20 0 FCADRP COc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978184453 1248719391 /nfs/dbraw/zinc/71/93/91/1248719391.db2.gz UNPWGCVWTJFHIM-NHMWIVBRSA-N 2 0 359.474 0.619 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001215972939 1224027727 /nfs/dbraw/zinc/02/77/27/1224027727.db2.gz FYKDCNJENZAIKM-BZUAXINKSA-N 2 0 366.506 0.740 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001216099715 1224034222 /nfs/dbraw/zinc/03/42/22/1224034222.db2.gz XEVJTGQMHNGBDZ-RHSMWYFYSA-N 2 0 366.506 0.060 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216324252 1224044322 /nfs/dbraw/zinc/04/43/22/1224044322.db2.gz SINZHJNEGBTZPZ-KFWWJZLASA-N 2 0 367.494 0.272 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001216400972 1224048756 /nfs/dbraw/zinc/04/87/56/1224048756.db2.gz FPAACNZYHSTSJK-NVXWUHKLSA-N 2 0 362.474 0.640 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752892 1224068244 /nfs/dbraw/zinc/06/82/44/1224068244.db2.gz ZABDYOUKZAICIX-IXDOHACOSA-N 2 0 368.522 0.306 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216851801 1224079135 /nfs/dbraw/zinc/07/91/35/1224079135.db2.gz ISGKFFJSAKUIAP-JFIYKMOQSA-N 2 0 371.522 0.320 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001217011081 1224084238 /nfs/dbraw/zinc/08/42/38/1224084238.db2.gz XFVJTNRPXWHTQB-HLLBOEOZSA-N 2 0 362.430 0.490 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217009673 1224084618 /nfs/dbraw/zinc/08/46/18/1224084618.db2.gz DAFCGEUTJASNPI-OWCLPIDISA-N 2 0 365.478 0.251 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@]2(C)C1 ZINC000993315434 1249458752 /nfs/dbraw/zinc/45/87/52/1249458752.db2.gz FADLKWNXMFYWKB-YZVOILCLSA-N 2 0 359.474 0.743 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000848931892 1245387601 /nfs/dbraw/zinc/38/76/01/1245387601.db2.gz IHHRIHQPPWYCAX-QBPKDAKJSA-N 2 0 364.490 0.099 20 0 FCADRP CN(CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)CC[NH+](C)C ZINC000849081543 1245391605 /nfs/dbraw/zinc/39/16/05/1245391605.db2.gz DAMQFBCGVLQDQQ-UHFFFAOYSA-N 2 0 370.542 0.947 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891479005 1245451273 /nfs/dbraw/zinc/45/12/73/1245451273.db2.gz OUEMTZVWAPHXKG-XHSDSOJGSA-N 2 0 365.478 0.295 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000891498627 1245452272 /nfs/dbraw/zinc/45/22/72/1245452272.db2.gz VFRMIMFVRPSHBV-FXAWDEMLSA-N 2 0 373.501 0.729 20 0 FCADRP COCCC1(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000891560400 1245455796 /nfs/dbraw/zinc/45/57/96/1245455796.db2.gz MIFRPYWQMUFQNL-MRXNPFEDSA-N 2 0 367.538 0.613 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911516489 1245504771 /nfs/dbraw/zinc/50/47/71/1245504771.db2.gz KOQNMAWJNQLFFQ-BMGDILEWSA-N 2 0 358.486 0.821 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517435 1245504951 /nfs/dbraw/zinc/50/49/51/1245504951.db2.gz JHMDIPCIDRNUIP-VDHUWJSZSA-N 2 0 356.470 0.670 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556799 1245513718 /nfs/dbraw/zinc/51/37/18/1245513718.db2.gz MJQGEBLMPKHDDG-CVEARBPZSA-N 2 0 359.474 0.767 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000915714774 1245526856 /nfs/dbraw/zinc/52/68/56/1245526856.db2.gz KCNDKQUBFYTQPE-UHFFFAOYSA-N 2 0 361.490 0.835 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000915724344 1245527819 /nfs/dbraw/zinc/52/78/19/1245527819.db2.gz OLPPPSYPDRSGMN-UHFFFAOYSA-N 2 0 361.490 0.833 20 0 FCADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CCO[C@H](C)C1)C2 ZINC000915830298 1245530265 /nfs/dbraw/zinc/53/02/65/1245530265.db2.gz SWUZXJZINPRDTH-VDCDIQELSA-N 2 0 368.522 0.486 20 0 FCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000923483955 1245724374 /nfs/dbraw/zinc/72/43/74/1245724374.db2.gz UIQQPHAIYYGARZ-QGZVFWFLSA-N 2 0 372.513 0.936 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880575 1246183441 /nfs/dbraw/zinc/18/34/41/1246183441.db2.gz RSOOOGSQZIRIKZ-NVXWUHKLSA-N 2 0 362.518 0.920 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941786470 1246826534 /nfs/dbraw/zinc/82/65/34/1246826534.db2.gz WVMGOGVYFYZUJF-IXDOHACOSA-N 2 0 366.506 0.155 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946786603 1248016925 /nfs/dbraw/zinc/01/69/25/1248016925.db2.gz KUTZLWHZJBZZBE-JJTUDDRGSA-N 2 0 371.485 0.583 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]32)CC[N@@H+]1C ZINC000976600981 1248278939 /nfs/dbraw/zinc/27/89/39/1248278939.db2.gz HVSCUMBAZUQXIW-WKRUXCHKSA-N 2 0 360.502 0.241 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976601918 1248280982 /nfs/dbraw/zinc/28/09/82/1248280982.db2.gz YVJSCRSBDCQCJX-ZXLDYLNASA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C ZINC000976853371 1248431373 /nfs/dbraw/zinc/43/13/73/1248431373.db2.gz KLQYDMJCEZMBOI-MTSZKFMLSA-N 2 0 360.502 0.528 20 0 FCADRP C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)o1)C2 ZINC001328289495 1265523020 /nfs/dbraw/zinc/52/30/20/1265523020.db2.gz LQBNVYMJFWBHLX-UHFFFAOYSA-N 2 0 372.469 0.835 20 0 FCADRP NC(=O)C[C@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559299 /nfs/dbraw/zinc/55/92/99/1265559299.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 2 0 359.474 0.476 20 0 FCADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000996580825 1251397444 /nfs/dbraw/zinc/39/74/44/1251397444.db2.gz SLHLSTAGMGOGPA-XKQJLSEDSA-N 2 0 366.506 0.188 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH+]3CCN(CCO)CC3)CC2)CC[N@@H+]1C ZINC000996776470 1251431032 /nfs/dbraw/zinc/43/10/32/1251431032.db2.gz NNOJXRLURBXPDH-WZOJCFFYSA-N 2 0 366.550 0.754 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328606971 1265586038 /nfs/dbraw/zinc/58/60/38/1265586038.db2.gz SUGZHJCHMQTEFP-QGZVFWFLSA-N 2 0 372.517 0.979 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001328732320 1265603787 /nfs/dbraw/zinc/60/37/87/1265603787.db2.gz JFXZDLSFQBCUHQ-MRXNPFEDSA-N 2 0 368.522 0.500 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)C12CCC[NH+]1CCC2 ZINC000998563564 1251911320 /nfs/dbraw/zinc/91/13/20/1251911320.db2.gz TYHZFIUWJLBFQT-IKGGRYGDSA-N 2 0 372.513 0.959 20 0 FCADRP C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CCC1 ZINC000998655810 1251942766 /nfs/dbraw/zinc/94/27/66/1251942766.db2.gz PPIZDACVXNKEHQ-IKGGRYGDSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC001518788143 1265679648 /nfs/dbraw/zinc/67/96/48/1265679648.db2.gz MBDMUNHCWAQZSR-KRWDZBQOSA-N 2 0 374.533 0.981 20 0 FCADRP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001004211808 1253249213 /nfs/dbraw/zinc/24/92/13/1253249213.db2.gz SJSWIAIAXCDGGE-HZMVEIRTSA-N 2 0 359.474 0.781 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004303378 1253275978 /nfs/dbraw/zinc/27/59/78/1253275978.db2.gz QLRHWEIAVXHHQW-VQHPVUNQSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004392272 1253311590 /nfs/dbraw/zinc/31/15/90/1253311590.db2.gz BMBAAYJMMYADSK-VQHPVUNQSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001005407117 1253547854 /nfs/dbraw/zinc/54/78/54/1253547854.db2.gz MCCKRLDJVGSBLH-GDBMZVCRSA-N 2 0 364.490 0.398 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001026497194 1253845341 /nfs/dbraw/zinc/84/53/41/1253845341.db2.gz RXBCNWHIUMXQSG-SJJHQCBESA-N 2 0 365.522 0.759 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027418493 1253852001 /nfs/dbraw/zinc/85/20/01/1253852001.db2.gz DYRZHOLVZOLNNA-YESZJQIVSA-N 2 0 365.522 0.665 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)N4CCC4)C3)CC2)CC[N@@H+]1C ZINC001035187350 1254021004 /nfs/dbraw/zinc/02/10/04/1254021004.db2.gz UMUFLSZXYOPMJQ-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@H]4CCCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035709161 1254056199 /nfs/dbraw/zinc/05/61/99/1254056199.db2.gz QNQTYESBEUQPOV-ZACQAIPSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001061621585 1254194959 /nfs/dbraw/zinc/19/49/59/1254194959.db2.gz ZITKYPAXCWUKHB-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001061655569 1254198579 /nfs/dbraw/zinc/19/85/79/1254198579.db2.gz RFXXFKCELOMUML-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC2)CC[N@@H+]1C ZINC001063221398 1254314114 /nfs/dbraw/zinc/31/41/14/1254314114.db2.gz ARIOPXSGCJGSSK-DJIMGWMZSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001065212895 1254495901 /nfs/dbraw/zinc/49/59/01/1254495901.db2.gz XVHWVQBHHFXDIK-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001066218209 1254606332 /nfs/dbraw/zinc/60/63/32/1254606332.db2.gz BKPLHSQRDANUOX-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001077612394 1254774946 /nfs/dbraw/zinc/77/49/46/1254774946.db2.gz GIDHQLNMUGYZDC-RTBURBONSA-N 2 0 360.502 0.756 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817169 1255018320 /nfs/dbraw/zinc/01/83/20/1255018320.db2.gz QVZKDGUIHFILSF-RTBURBONSA-N 2 0 371.485 0.728 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)cc1 ZINC001077844193 1255042487 /nfs/dbraw/zinc/04/24/87/1255042487.db2.gz ZVXFNRROEHHIHR-QXAKKESOSA-N 2 0 361.486 0.950 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)CC1 ZINC001077923889 1255105403 /nfs/dbraw/zinc/10/54/03/1255105403.db2.gz JJIMDNVMWUPLNC-QZTJIDSGSA-N 2 0 363.506 0.244 20 0 FCADRP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078006267 1255161778 /nfs/dbraw/zinc/16/17/78/1255161778.db2.gz XXGZVZBIRLPUOE-IPMKNSEASA-N 2 0 361.486 0.836 20 0 FCADRP CC[NH+]1CCC2(CN(C(=O)[C@H](C)CN3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273768 1255497501 /nfs/dbraw/zinc/49/75/01/1255497501.db2.gz PHCYJGAHHVIIBR-FGTMMUONSA-N 2 0 365.518 0.914 20 0 FCADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161359 1255766752 /nfs/dbraw/zinc/76/67/52/1255766752.db2.gz YNCVZBRFVXAKAZ-LGFHUAIBSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593287 1255946588 /nfs/dbraw/zinc/94/65/88/1255946588.db2.gz SOHMODBJIWIZFV-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080934952 1256103797 /nfs/dbraw/zinc/10/37/97/1256103797.db2.gz HAGRRAFDBYAYLZ-FRFSOERESA-N 2 0 356.474 0.857 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1ccccc1 ZINC001081132282 1256189499 /nfs/dbraw/zinc/18/94/99/1256189499.db2.gz RFQHJXZBSAVOTC-ZWKOTPCHSA-N 2 0 370.497 0.932 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670151 1256329542 /nfs/dbraw/zinc/32/95/42/1256329542.db2.gz HPYJUWYLGGOFJD-IPMKNSEASA-N 2 0 365.518 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082132880 1256549834 /nfs/dbraw/zinc/54/98/34/1256549834.db2.gz WBSKZILPPDKKLF-GVDBMIGSSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328788 1256671041 /nfs/dbraw/zinc/67/10/41/1256671041.db2.gz LKSVKPSBHWCABI-KZNAEPCWSA-N 2 0 359.470 0.631 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082449922 1256767157 /nfs/dbraw/zinc/76/71/57/1256767157.db2.gz OVQJUWLDEZNTFW-KFWWJZLASA-N 2 0 363.510 0.501 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082570193 1256877311 /nfs/dbraw/zinc/87/73/11/1256877311.db2.gz BJWSWBLPCWBLMA-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082588711 1256902674 /nfs/dbraw/zinc/90/26/74/1256902674.db2.gz LCACUIVHIUOTOJ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082653306 1256957966 /nfs/dbraw/zinc/95/79/66/1256957966.db2.gz FCQOPCPSGOIKPY-LVPSCPSHSA-N 2 0 363.502 0.713 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082863239 1257113992 /nfs/dbraw/zinc/11/39/92/1257113992.db2.gz VHKDGKSOHRAFJY-RHSMWYFYSA-N 2 0 356.470 0.818 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001082923361 1257147012 /nfs/dbraw/zinc/14/70/12/1257147012.db2.gz GFHLFGGFDOSZFQ-SOLBZPMBSA-N 2 0 363.506 0.367 20 0 FCADRP CC(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149100 1257404405 /nfs/dbraw/zinc/40/44/05/1257404405.db2.gz YSYRCOQMPWTPSS-VVJOJPPRSA-N 2 0 363.502 0.807 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001521342602 1266113287 /nfs/dbraw/zinc/11/32/87/1266113287.db2.gz LZIQEQRDFLEKEV-KURKYZTESA-N 2 0 369.554 0.763 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781326 1257525948 /nfs/dbraw/zinc/52/59/48/1257525948.db2.gz CDJFRUZAYHDSMD-LZQZEXGQSA-N 2 0 361.486 0.741 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001084090834 1257914625 /nfs/dbraw/zinc/91/46/25/1257914625.db2.gz KXSHQPNZTUVNPK-LZQZEXGQSA-N 2 0 361.486 0.950 20 0 FCADRP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001084347566 1258041813 /nfs/dbraw/zinc/04/18/13/1258041813.db2.gz VMWZGDNLDYSPGJ-CEXWTWQISA-N 2 0 357.502 0.837 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001084404988 1258083273 /nfs/dbraw/zinc/08/32/73/1258083273.db2.gz VJOACQUVYBGLJF-IXDOHACOSA-N 2 0 361.490 0.261 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084422415 1258102243 /nfs/dbraw/zinc/10/22/43/1258102243.db2.gz XYHWOQLZLHSFAR-BRWVUGGUSA-N 2 0 363.506 0.419 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084521827 1258149271 /nfs/dbraw/zinc/14/92/71/1258149271.db2.gz ZBNFIIQWBFMTGG-RHSMWYFYSA-N 2 0 351.414 0.772 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](CCn3cccn3)C[C@H]21 ZINC001084532625 1258154988 /nfs/dbraw/zinc/15/49/88/1258154988.db2.gz HBTAKDXMJXYOCR-SYJBPTKTSA-N 2 0 371.485 0.279 20 0 FCADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)CC2)C1 ZINC001521706588 1266167883 /nfs/dbraw/zinc/16/78/83/1266167883.db2.gz TYOLZZHWCZBSEU-GOEBONIOSA-N 2 0 350.463 0.630 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972095 1258484790 /nfs/dbraw/zinc/48/47/90/1258484790.db2.gz NVTPEXLVNRBBIJ-IKGGRYGDSA-N 2 0 363.506 0.419 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093598 1258588647 /nfs/dbraw/zinc/58/86/47/1258588647.db2.gz MVCXBLQVMMMYAO-IKGGRYGDSA-N 2 0 358.490 0.784 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085093673 1258588713 /nfs/dbraw/zinc/58/87/13/1258588713.db2.gz TZBHJUYPYDZJKR-KURKYZTESA-N 2 0 362.518 0.921 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331343291 1266197751 /nfs/dbraw/zinc/19/77/51/1266197751.db2.gz DZYUTMAFAMCZGF-USXIJHARSA-N 2 0 363.506 0.513 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085196633 1258626642 /nfs/dbraw/zinc/62/66/42/1258626642.db2.gz IFPODYPEJTUXAU-BRWVUGGUSA-N 2 0 365.522 0.901 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)NC1CCCC1 ZINC001088201121 1258724770 /nfs/dbraw/zinc/72/47/70/1258724770.db2.gz LYJSUJATPKUDSO-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722055 1258818770 /nfs/dbraw/zinc/81/87/70/1258818770.db2.gz UZKUDKGIIUVSRW-HZPDHXFCSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782701 1258844622 /nfs/dbraw/zinc/84/46/22/1258844622.db2.gz WKLPIQUWMUBHBE-XNRPHZJLSA-N 2 0 369.425 0.437 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331432599 1266215312 /nfs/dbraw/zinc/21/53/12/1266215312.db2.gz SCQFLIXMNQCMLJ-QZTJIDSGSA-N 2 0 367.538 0.553 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331433017 1266215921 /nfs/dbraw/zinc/21/59/21/1266215921.db2.gz YGHHSUYIDCIQQC-ZWKOTPCHSA-N 2 0 367.538 0.422 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001100343679 1258908060 /nfs/dbraw/zinc/90/80/60/1258908060.db2.gz MSNPDECWTVWOOT-RKHAHWSXSA-N 2 0 366.506 0.106 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637438 1258920368 /nfs/dbraw/zinc/92/03/68/1258920368.db2.gz PQQIUYAQJZKLTD-HNBVOPMISA-N 2 0 367.534 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106581501 1258926332 /nfs/dbraw/zinc/92/63/32/1258926332.db2.gz FWLVSWFUEFIGDV-LTIDMASMSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001106594189 1258927236 /nfs/dbraw/zinc/92/72/36/1258927236.db2.gz OOYGWDNZCRQNHR-BZUAXINKSA-N 2 0 360.506 0.791 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106635269 1258930456 /nfs/dbraw/zinc/93/04/56/1258930456.db2.gz WBIZIARQHIZVHL-IIAWOOMASA-N 2 0 369.510 0.102 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)[NH+](C)C ZINC001106634004 1258930548 /nfs/dbraw/zinc/93/05/48/1258930548.db2.gz ZPMCZMPYSPQWLE-IIDMSEBBSA-N 2 0 366.506 0.406 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)[NH+](CC)CC ZINC001106660128 1258935240 /nfs/dbraw/zinc/93/52/40/1258935240.db2.gz BYJYUMWISBPUET-RBSFLKMASA-N 2 0 366.510 0.413 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860294 1258980376 /nfs/dbraw/zinc/98/03/76/1258980376.db2.gz RUGATAWPVRWVCV-RVKKMQEKSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001106878539 1258985898 /nfs/dbraw/zinc/98/58/98/1258985898.db2.gz QMKRCDPKRPCYPU-HUUCEWRRSA-N 2 0 370.473 0.010 20 0 FCADRP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878349 1258986328 /nfs/dbraw/zinc/98/63/28/1258986328.db2.gz NESKZKKFWRMYGF-NVXWUHKLSA-N 2 0 364.490 0.853 20 0 FCADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106881190 1258986425 /nfs/dbraw/zinc/98/64/25/1258986425.db2.gz YNBRZLSCJIHSMS-HUUCEWRRSA-N 2 0 365.478 0.248 20 0 FCADRP CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881396 1258987455 /nfs/dbraw/zinc/98/74/55/1258987455.db2.gz DJDVLDHPWUXEJA-BRWVUGGUSA-N 2 0 370.538 0.409 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106897428 1258991706 /nfs/dbraw/zinc/99/17/06/1258991706.db2.gz GHQBUBYDKWAABC-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106910653 1258994101 /nfs/dbraw/zinc/99/41/01/1258994101.db2.gz IHUHUEYGBNWGCT-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C12CCC[NH+]1CCC2 ZINC001107462141 1259095587 /nfs/dbraw/zinc/09/55/87/1259095587.db2.gz VFJUPVUMFWXXCV-IEBWSBKVSA-N 2 0 365.518 0.985 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC001107530995 1259109140 /nfs/dbraw/zinc/10/91/40/1259109140.db2.gz XARQBVBSNDITNY-VQIMIIECSA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570932 1259180274 /nfs/dbraw/zinc/18/02/74/1259180274.db2.gz GKWBUJQATDXGDQ-AEFFLSMTSA-N 2 0 368.522 0.306 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571643 1259181889 /nfs/dbraw/zinc/18/18/89/1259181889.db2.gz VSCJTNDUHKXITD-AEFFLSMTSA-N 2 0 368.522 0.211 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccccc2)CC[N@@H+]1C ZINC001127701535 1259184536 /nfs/dbraw/zinc/18/45/36/1259184536.db2.gz RVQBRBHKPYLLKC-ZWKOTPCHSA-N 2 0 360.502 0.781 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052263 1259298955 /nfs/dbraw/zinc/29/89/55/1259298955.db2.gz AUAPMOHVQVFWEF-IXDOHACOSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1 ZINC001129048781 1259299312 /nfs/dbraw/zinc/29/93/12/1259299312.db2.gz JSXDNASINUFXDC-OAGGEKHMSA-N 2 0 362.478 0.140 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129090051 1259310387 /nfs/dbraw/zinc/31/03/87/1259310387.db2.gz SFVGVHNALXKLOJ-CVEARBPZSA-N 2 0 366.510 0.777 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537643 1259416512 /nfs/dbraw/zinc/41/65/12/1259416512.db2.gz SGKKRINWDPYMQA-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001211675157 1259426079 /nfs/dbraw/zinc/42/60/79/1259426079.db2.gz OFRDQJVAJPVMBR-OKYOBFRVSA-N 2 0 363.502 0.918 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001211675156 1259426260 /nfs/dbraw/zinc/42/62/60/1259426260.db2.gz OFRDQJVAJPVMBR-HCXYKTFWSA-N 2 0 363.502 0.918 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211713383 1259427415 /nfs/dbraw/zinc/42/74/15/1259427415.db2.gz JMZDIMOUCZKKFX-GBESFXJTSA-N 2 0 363.502 0.920 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001212483888 1259521795 /nfs/dbraw/zinc/52/17/95/1259521795.db2.gz XHEAOFYKDJGDGF-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495599 1259525619 /nfs/dbraw/zinc/52/56/19/1259525619.db2.gz KRHCVTFFWHPDOD-KBAYOESNSA-N 2 0 364.490 0.884 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216229598 1259537078 /nfs/dbraw/zinc/53/70/78/1259537078.db2.gz LONQEADMTKHGDN-SOLBZPMBSA-N 2 0 371.522 0.321 20 0 FCADRP c1c(CN2CCO[C@]3(C2)C[NH2+]CCOC3)c2cccc3c2n1CC[NH2+]C3 ZINC001234996711 1259566138 /nfs/dbraw/zinc/56/61/38/1259566138.db2.gz CUYPDLMRZRSEGU-FQEVSTJZSA-N 2 0 356.470 0.935 20 0 FCADRP O=C(C1CC[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)CC1)N1CC[NH2+]CC1 ZINC001235297303 1259568549 /nfs/dbraw/zinc/56/85/49/1259568549.db2.gz HVRMGUSJNZBTGN-UHFFFAOYSA-N 3 0 371.529 0.740 20 0 FCADRP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@H+](CCCC[NH3+])CC2 ZINC001235574450 1259577737 /nfs/dbraw/zinc/57/77/37/1259577737.db2.gz ITSIICKYZNSPAI-UHFFFAOYSA-N 2 0 362.474 0.844 20 0 FCADRP COC(=O)C[C@@H]1C[NH2+]CCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235844644 1259583152 /nfs/dbraw/zinc/58/31/52/1259583152.db2.gz ADPQYBOGWWSARV-MRXNPFEDSA-N 2 0 372.473 0.533 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cc(OC)nc(OC)c3)C[C@H]1C2 ZINC001236035333 1259587597 /nfs/dbraw/zinc/58/75/97/1259587597.db2.gz BISGLGWHVGGWIX-GJRWTSMGSA-N 2 0 361.442 0.929 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(N2CCCCC2)nc1 ZINC001236307245 1259589178 /nfs/dbraw/zinc/58/91/78/1259589178.db2.gz FALAMCGVOYXQBR-UHFFFAOYSA-N 2 0 362.522 0.688 20 0 FCADRP Cn1nc(-c2ccccc2)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311612 1259589376 /nfs/dbraw/zinc/58/93/76/1259589376.db2.gz VAOQHIVSFDRLEA-UHFFFAOYSA-N 2 0 358.490 0.703 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)nc1)CC2 ZINC001237062008 1259594979 /nfs/dbraw/zinc/59/49/79/1259594979.db2.gz KLTDPACZSCHOEW-APWZRJJASA-N 2 0 359.474 0.218 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001237060817 1259595916 /nfs/dbraw/zinc/59/59/16/1259595916.db2.gz JWXLZVIMKIWRCU-PZJWPPBQSA-N 2 0 372.513 0.819 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1c[nH]ccc1=O)CC2 ZINC001237836213 1259611415 /nfs/dbraw/zinc/61/14/15/1259611415.db2.gz HDCLGLMIMBDUTG-UHFFFAOYSA-N 2 0 361.490 0.045 20 0 FCADRP C[C@@H]1CN(c2ccc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)nn2)CC[NH2+]1 ZINC001240111858 1259626681 /nfs/dbraw/zinc/62/66/81/1259626681.db2.gz DUYRHUWRYNKPAU-OAHLLOKOSA-N 2 0 366.469 0.987 20 0 FCADRP O=C1N[C@H](c2ccc(-c3cnc(N4CC[NH2+]CC4)nc3)cc2)CC12C[NH2+]C2 ZINC001241897729 1259631262 /nfs/dbraw/zinc/63/12/62/1259631262.db2.gz NQBPEABTUVXHLW-KRWDZBQOSA-N 2 0 364.453 0.704 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3ncc4c(n3)CC[NH2+]C4)cc2)CC1 ZINC001242094721 1259633859 /nfs/dbraw/zinc/63/38/59/1259633859.db2.gz STDMLFVRRUIUDL-UHFFFAOYSA-N 2 0 352.442 0.682 20 0 FCADRP O[C@@H](CNc1cccnc1OCC1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245957908 1259641331 /nfs/dbraw/zinc/64/13/31/1259641331.db2.gz WYQNXRGWGXCBEC-MRXNPFEDSA-N 2 0 364.490 0.737 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245979572 1259642157 /nfs/dbraw/zinc/64/21/57/1259642157.db2.gz VUWOEIRAUURMPF-FZDIXFNVSA-N 3 0 369.456 0.944 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245986718 1259644131 /nfs/dbraw/zinc/64/41/31/1259644131.db2.gz QBPLTQWYFBMQNQ-FGTMMUONSA-N 3 0 368.472 0.659 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ncn2c1C[NH2+]CCC2 ZINC001245995146 1259644692 /nfs/dbraw/zinc/64/46/92/1259644692.db2.gz PPXLDOFLFZKAQB-MAUKXSAKSA-N 2 0 365.428 0.675 20 0 FCADRP OC1(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)CC[NH2+]CC1 ZINC001246044695 1259646926 /nfs/dbraw/zinc/64/69/26/1259646926.db2.gz PRIPUALDGXGQIN-UHFFFAOYSA-N 2 0 363.506 0.472 20 0 FCADRP Fc1cccc(-c2nnn3c2CO[C@@H](C[NH2+][C@@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246154274 1259647654 /nfs/dbraw/zinc/64/76/54/1259647654.db2.gz AZERDFVFEUWPHZ-CVEARBPZSA-N 2 0 372.448 0.667 20 0 FCADRP c1c2c(nn1Cc1ccccn1)[C@@H](C[NH2+][C@H]1CCNC3(C[NH2+]C3)C1)OCC2 ZINC001246159365 1259649500 /nfs/dbraw/zinc/64/95/00/1259649500.db2.gz WBDFNZOZYHQOMV-FUHWJXTLSA-N 2 0 368.485 0.624 20 0 FCADRP [NH3+]CCCC[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246190396 1259649969 /nfs/dbraw/zinc/64/99/69/1259649969.db2.gz CSUIBUKWMDHLJE-MSOLQXFVSA-N 2 0 360.502 0.911 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246518774 1259654114 /nfs/dbraw/zinc/65/41/14/1259654114.db2.gz JFNNGJQCQRAUDO-JYJNAYRXSA-N 2 0 368.522 0.768 20 0 FCADRP COc1ccc(CN2CC[C@@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641963 1259658157 /nfs/dbraw/zinc/65/81/57/1259658157.db2.gz KHYAIRSWNSINAK-XLIONFOSSA-N 2 0 358.486 0.824 20 0 FCADRP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680346 1259658511 /nfs/dbraw/zinc/65/85/11/1259658511.db2.gz VVDCILSAQCHQHO-XJCMGKNESA-N 2 0 365.474 0.001 20 0 FCADRP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](C3C[C@H]4CC(C(=O)OC)C[C@@H](C3)[NH2+]4)C[C@@H]2N1 ZINC001246670278 1259658555 /nfs/dbraw/zinc/65/85/55/1259658555.db2.gz PFIGJFBFGAQYGZ-SEAKSCPESA-N 2 0 365.474 0.284 20 0 FCADRP Fc1cnc(N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C2CC[NH2+]CC2)nc1 ZINC001246688743 1259658615 /nfs/dbraw/zinc/65/86/15/1259658615.db2.gz NZLXQYWOVBRKBL-KDOFPFPSSA-N 2 0 365.453 0.569 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429978 1259661169 /nfs/dbraw/zinc/66/11/69/1259661169.db2.gz IUSBSWUNOIZGLF-JKSUJKDBSA-N 2 0 353.511 0.080 20 0 FCADRP O=C1[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246704533 1259663781 /nfs/dbraw/zinc/66/37/81/1259663781.db2.gz HMXHVMGDMDEYNC-CGTJXYLNSA-N 2 0 358.461 0.810 20 0 FCADRP Cc1cccc(CO[C@@H]2C[C@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)n1 ZINC001246709224 1259665271 /nfs/dbraw/zinc/66/52/71/1259665271.db2.gz QWQWXXLMCJTQPG-SLFFLAALSA-N 2 0 371.529 0.759 20 0 FCADRP O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246708087 1259666184 /nfs/dbraw/zinc/66/61/84/1259666184.db2.gz PHGZMNARHUCAFI-DZOHQFGASA-N 2 0 362.518 0.619 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335448859 1259667338 /nfs/dbraw/zinc/66/73/38/1259667338.db2.gz RBYXHUAYAKKKCY-QGZVFWFLSA-N 2 0 365.522 0.224 20 0 FCADRP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246718243 1259667679 /nfs/dbraw/zinc/66/76/79/1259667679.db2.gz HELSZAKQCCNQKM-MHORFTMASA-N 2 0 371.485 0.137 20 0 FCADRP CO[C@@H]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001246721560 1259667696 /nfs/dbraw/zinc/66/76/96/1259667696.db2.gz QPAOZXYXQPLACJ-VNTMZGSJSA-N 2 0 371.529 0.697 20 0 FCADRP COC(=O)c1cc2c(nc1N(C)C)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246722180 1259668414 /nfs/dbraw/zinc/66/84/14/1259668414.db2.gz PQTPETIGABBZOO-HNNXBMFYSA-N 2 0 373.501 0.429 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741003 1259675004 /nfs/dbraw/zinc/67/50/04/1259675004.db2.gz WRTPJQKQAUQXBI-YYAJDYIMSA-N 2 0 359.474 0.970 20 0 FCADRP O=C([C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745359 1259678417 /nfs/dbraw/zinc/67/84/17/1259678417.db2.gz HBXCHCPYGRGWIS-DLBZAZTESA-N 2 0 362.518 0.431 20 0 FCADRP c1cnc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756229 1259682148 /nfs/dbraw/zinc/68/21/48/1259682148.db2.gz MUQJVBUYKIKVMP-VQIMIIECSA-N 2 0 358.490 0.242 20 0 FCADRP CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767813 1259687099 /nfs/dbraw/zinc/68/70/99/1259687099.db2.gz NQZCPUABAXGYKO-IAGOWNOFSA-N 2 0 364.534 0.677 20 0 FCADRP COC(=O)[C@H]1C[C@@H](N(CC[NH3+])CC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001246830682 1259691252 /nfs/dbraw/zinc/69/12/52/1259691252.db2.gz LLRIHEDQMQIKED-IXDOHACOSA-N 2 0 363.458 0.517 20 0 FCADRP CCOC(=O)[C@H]1CC12CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC2 ZINC001246924275 1259695859 /nfs/dbraw/zinc/69/58/59/1259695859.db2.gz HEVPQICNDLMKAL-KOHRHEQBSA-N 3 0 368.522 0.614 20 0 FCADRP COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246948069 1259696822 /nfs/dbraw/zinc/69/68/22/1259696822.db2.gz ALCIIGYGRUMGRO-KRWDZBQOSA-N 2 0 358.486 0.983 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@@H]4CCN5)n3)cc2)CC1 ZINC001247834052 1259704476 /nfs/dbraw/zinc/70/44/76/1259704476.db2.gz GFKMXCGDJQQKPR-HNAYVOBHSA-N 2 0 354.458 0.896 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(/C=C/C(=O)NCC[NH3+])n3)c2)CC1 ZINC001247638783 1259704617 /nfs/dbraw/zinc/70/46/17/1259704617.db2.gz UOKDZPWZKRYFNI-AATRIKPKSA-N 2 0 356.430 0.577 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4CC[NH2+]C[C@H]4O)n3)c2)CC1 ZINC001247760965 1259704638 /nfs/dbraw/zinc/70/46/38/1259704638.db2.gz YGCIFFUBORYPCT-DLBZAZTESA-N 2 0 357.458 0.922 20 0 FCADRP C[N@@H+]1C[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)OC2(CC[NH2+]CC2)C1 ZINC001247855103 1259707434 /nfs/dbraw/zinc/70/74/34/1259707434.db2.gz ATVKROHDXATRGZ-MRXNPFEDSA-N 3 0 370.457 0.903 20 0 FCADRP C[NH+]1CCN(CCC[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251263519 1259742228 /nfs/dbraw/zinc/74/22/28/1259742228.db2.gz BHLJIUXIQCHIHO-IBGZPJMESA-N 2 0 370.538 0.976 20 0 FCADRP C[NH+](C)CCN1CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251267834 1259742404 /nfs/dbraw/zinc/74/24/04/1259742404.db2.gz XCWTUMPLJMVYJN-IBGZPJMESA-N 2 0 370.538 0.928 20 0 FCADRP C[NH+](C)CCN1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251267835 1259742676 /nfs/dbraw/zinc/74/26/76/1259742676.db2.gz XCWTUMPLJMVYJN-LJQANCHMSA-N 2 0 370.538 0.928 20 0 FCADRP Cc1ccc(NCCNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)nc1 ZINC001335646902 1259762759 /nfs/dbraw/zinc/76/27/59/1259762759.db2.gz ZQSFQGDTMOBADS-HNNXBMFYSA-N 2 0 360.462 0.408 20 0 FCADRP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416477 1259786101 /nfs/dbraw/zinc/78/61/01/1259786101.db2.gz YEZBTOHGMHZCJM-SJORKVTESA-N 2 0 363.458 0.671 20 0 FCADRP COCC(=O)N[C@@H]1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252934551 1259813307 /nfs/dbraw/zinc/81/33/07/1259813307.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 0 361.486 0.850 20 0 FCADRP COC(=O)[C@@H](Cc1c[nH]cn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950850 1259814329 /nfs/dbraw/zinc/81/43/29/1259814329.db2.gz HIWMTPNKGLBBKD-MJGOQNOKSA-N 2 0 358.442 0.720 20 0 FCADRP CC(C)[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253161963 1259823971 /nfs/dbraw/zinc/82/39/71/1259823971.db2.gz GCFAKCYJKCQETE-LJQANCHMSA-N 2 0 365.518 0.577 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253388525 1259837923 /nfs/dbraw/zinc/83/79/23/1259837923.db2.gz KNNOIQDLLZNKPB-IAGOWNOFSA-N 2 0 365.518 0.862 20 0 FCADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1CCC[N@H+](C)CC1)NC(=O)CNC(C)=O ZINC001254513861 1259888034 /nfs/dbraw/zinc/88/80/34/1259888034.db2.gz GPZRYKHWMBHGCE-CVEARBPZSA-N 2 0 370.494 0.025 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001331821385 1266292462 /nfs/dbraw/zinc/29/24/62/1266292462.db2.gz MYZISDNXGVWEEQ-RBUKOAKNSA-N 2 0 360.502 0.817 20 0 FCADRP Cn1ccnc1C(=O)N[C@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523724 1259889461 /nfs/dbraw/zinc/88/94/61/1259889461.db2.gz VPEYNPGPWYGZAK-YYIAUSFCSA-N 2 0 361.490 0.866 20 0 FCADRP C[N@@H+]1CC[C@H](N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426356 1259911395 /nfs/dbraw/zinc/91/13/95/1259911395.db2.gz COMBLCDGRLAJNL-UWWQBHOKSA-N 2 0 365.453 0.521 20 0 FCADRP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)[C@H]1CC[N@H+](C)C1 ZINC001255432011 1259913540 /nfs/dbraw/zinc/91/35/40/1259913540.db2.gz ODCPHWFKJLSIGI-INIZCTEOSA-N 2 0 374.533 0.920 20 0 FCADRP COC1CCC(n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001255453518 1259915356 /nfs/dbraw/zinc/91/53/56/1259915356.db2.gz BNMNBDMHAYFRMS-UAOKOLBASA-N 2 0 363.462 0.359 20 0 FCADRP Cn1nnc2c1CCN([C@H]1CCC[N@H+](C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001255490562 1259916543 /nfs/dbraw/zinc/91/65/43/1259916543.db2.gz UGXIINJBSLQNOC-WMZOPIPTSA-N 2 0 362.522 0.921 20 0 FCADRP CCOC(=O)N1CC[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])C1 ZINC001256022565 1259931313 /nfs/dbraw/zinc/93/13/13/1259931313.db2.gz LNGFARRCOKRQSG-AWEZNQCLSA-N 2 0 369.462 0.813 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001261381019 1260129740 /nfs/dbraw/zinc/12/97/40/1260129740.db2.gz WNWPAJFISVZWOE-OXJNMPFZSA-N 2 0 360.502 0.987 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001262040615 1260248769 /nfs/dbraw/zinc/24/87/69/1260248769.db2.gz XFDKJFCYIACXCX-KRWDZBQOSA-N 2 0 358.486 0.889 20 0 FCADRP CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CC[NH2+]C1 ZINC001262060527 1260252442 /nfs/dbraw/zinc/25/24/42/1260252442.db2.gz CKUYAMSDKALJEF-ROUUACIJSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071242 1260255634 /nfs/dbraw/zinc/25/56/34/1260255634.db2.gz UTVUDXOFAQTPLU-LEUOFYLZSA-N 2 0 358.486 0.724 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073501 1260256748 /nfs/dbraw/zinc/25/67/48/1260256748.db2.gz TXOPRHVHFPFIIZ-FGTMMUONSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001336961997 1260269798 /nfs/dbraw/zinc/26/97/98/1260269798.db2.gz VUECMKDQIJWUNM-HZPDHXFCSA-N 2 0 365.522 0.747 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC001336964541 1260270871 /nfs/dbraw/zinc/27/08/71/1260270871.db2.gz ISCSWYFPDBUVTR-HOCLYGCPSA-N 2 0 362.474 0.802 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974513 1260272360 /nfs/dbraw/zinc/27/23/60/1260272360.db2.gz YUUUJLUBYPDQKW-XLIONFOSSA-N 2 0 373.501 0.965 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337016929 1260286302 /nfs/dbraw/zinc/28/63/02/1260286302.db2.gz YPWFVLBXYIBKEQ-IRXDYDNUSA-N 2 0 353.511 0.224 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084052 1260305954 /nfs/dbraw/zinc/30/59/54/1260305954.db2.gz GPVRYQUPVXEAKL-ROUUACIJSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001337158633 1260324216 /nfs/dbraw/zinc/32/42/16/1260324216.db2.gz OVTUGDPAWPAGKQ-QGZVFWFLSA-N 2 0 353.507 0.793 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001337312466 1260365581 /nfs/dbraw/zinc/36/55/81/1260365581.db2.gz YIRDWNIXSULXEY-HZPDHXFCSA-N 2 0 366.506 0.333 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001272820305 1260511170 /nfs/dbraw/zinc/51/11/70/1260511170.db2.gz GDNKVODDUJTKKZ-IBGZPJMESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272832763 1260513099 /nfs/dbraw/zinc/51/30/99/1260513099.db2.gz YVUMMAGQTFRZJL-PXNSSMCTSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001337953715 1260524596 /nfs/dbraw/zinc/52/45/96/1260524596.db2.gz OQNAGFNVBKQPDS-LJQANCHMSA-N 2 0 361.490 0.304 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1=O ZINC001273193365 1260620581 /nfs/dbraw/zinc/62/05/81/1260620581.db2.gz ZIJZNSBEQHNSTD-KHYOSLBOSA-N 2 0 364.490 0.256 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273272596 1260644808 /nfs/dbraw/zinc/64/48/08/1260644808.db2.gz KWAFRPLUYMBNBM-SJORKVTESA-N 2 0 364.534 0.977 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273312069 1260655106 /nfs/dbraw/zinc/65/51/06/1260655106.db2.gz BUUWZGMANXLQBH-IRXDYDNUSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc(CCO)cc3)C2)OCC1=O ZINC001277918556 1260676559 /nfs/dbraw/zinc/67/65/59/1260676559.db2.gz ZZDWPTPLIJAFJM-FQEVSTJZSA-N 2 0 361.486 0.586 20 0 FCADRP CC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181392 1260685427 /nfs/dbraw/zinc/68/54/27/1260685427.db2.gz DXOZTGVHFLUNGV-QRVBRYPASA-N 2 0 364.534 0.977 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001278183272 1260686544 /nfs/dbraw/zinc/68/65/44/1260686544.db2.gz JFRWVTIRKTWKBH-BBWFWOEESA-N 2 0 368.522 0.942 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001332233899 1266363655 /nfs/dbraw/zinc/36/36/55/1266363655.db2.gz HORDJLHHOOZXCE-CALCHBBNSA-N 2 0 374.485 0.631 20 0 FCADRP Cn1c[nH+]cc1N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280121211 1261009300 /nfs/dbraw/zinc/00/93/00/1261009300.db2.gz XCUOOFKWVQNWOU-HOTGVXAUSA-N 2 0 354.458 0.965 20 0 FCADRP Cc1nc(CNC(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH+](C)CC4)C[C@H]23)no1 ZINC001280126233 1261010433 /nfs/dbraw/zinc/01/04/33/1261010433.db2.gz UMRLCEFADAPRRK-UONOGXRCSA-N 2 0 362.434 0.023 20 0 FCADRP O=C([C@@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2)N1CC2(CC(O)C2)C1 ZINC001280134620 1261013106 /nfs/dbraw/zinc/01/31/06/1261013106.db2.gz DNNMWIYRCFWEHC-KRWDZBQOSA-N 2 0 363.502 0.308 20 0 FCADRP O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2)N1CC(N2CC(F)C2)C1 ZINC001280135808 1261013679 /nfs/dbraw/zinc/01/36/79/1261013679.db2.gz QBJNIOWHPOGJOZ-HGKCTWBKSA-N 2 0 364.509 0.809 20 0 FCADRP O=C(C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1)N1CC2(CC(O)C2)C1 ZINC001280135220 1261013803 /nfs/dbraw/zinc/01/38/03/1261013803.db2.gz KCZPNUNXOGKUCH-NXHRZFHOSA-N 2 0 363.502 0.449 20 0 FCADRP C[NH+]1CCC(C)(C[NH2+]C23CC(C(=O)N4CCn5cnnc5C4)(C2)C3)CC1 ZINC001280210877 1261034607 /nfs/dbraw/zinc/03/46/07/1261034607.db2.gz JASGXFIRWLESFN-UHFFFAOYSA-N 2 0 358.490 0.865 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2COC[C@H](C1)N2CC[NH+]1CCCC1 ZINC001280225014 1261040241 /nfs/dbraw/zinc/04/02/41/1261040241.db2.gz YQYUDHYZYIEJDL-OTWHNJEPSA-N 2 0 362.518 0.478 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OC)[NH+](C)C ZINC001281861204 1261240596 /nfs/dbraw/zinc/24/05/96/1261240596.db2.gz DNKCMAAVCKOHED-IXDOHACOSA-N 2 0 368.522 0.401 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001472513993 1261471352 /nfs/dbraw/zinc/47/13/52/1261471352.db2.gz PHHPAOUNHZZBHV-UHFFFAOYSA-N 2 0 372.510 0.574 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC001473983541 1261504817 /nfs/dbraw/zinc/50/48/17/1261504817.db2.gz QKQHRGBHVRWJFB-OAHLLOKOSA-N 2 0 350.511 0.291 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001332510952 1266419702 /nfs/dbraw/zinc/41/97/02/1266419702.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 2 0 364.542 0.620 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001345185801 1261647803 /nfs/dbraw/zinc/64/78/03/1261647803.db2.gz MGONTOIDFUMZHA-HNNXBMFYSA-N 2 0 368.522 0.640 20 0 FCADRP CN(C(=O)C(=O)NCc1cccc(O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001345288691 1261666321 /nfs/dbraw/zinc/66/63/21/1261666321.db2.gz FUMROKVIYLUSNS-KRWDZBQOSA-N 2 0 374.485 0.635 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC001345358671 1261684001 /nfs/dbraw/zinc/68/40/01/1261684001.db2.gz OTSQWFSHXBXMEA-UHFFFAOYSA-N 2 0 373.501 0.265 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001580291290 1278098044 /nfs/dbraw/zinc/09/80/44/1278098044.db2.gz YTVKNDRMVKEYBN-LBPRGKRZSA-N 2 0 358.450 0.475 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC1CC1 ZINC001345578420 1261743296 /nfs/dbraw/zinc/74/32/96/1261743296.db2.gz OZTBKZVQHHUONY-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)[NH+](C)C ZINC001289095849 1262102996 /nfs/dbraw/zinc/10/29/96/1262102996.db2.gz IXHCAPBOFKMVKS-NUJGCVRESA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580341637 1278137217 /nfs/dbraw/zinc/13/72/17/1278137217.db2.gz IBXCPDFBNCFCKX-DGCLKSJQSA-N 2 0 363.491 0.816 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179175 1263176616 /nfs/dbraw/zinc/17/66/16/1263176616.db2.gz UWFVBYINQCBVQX-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001312142003 1263273547 /nfs/dbraw/zinc/27/35/47/1263273547.db2.gz VSVFVRFJWNHQFH-QGZVFWFLSA-N 2 0 367.538 0.912 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316754899 1263459842 /nfs/dbraw/zinc/45/98/42/1263459842.db2.gz AMNJZCRWHXYEFD-SJORKVTESA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385494 1278202925 /nfs/dbraw/zinc/20/29/25/1278202925.db2.gz MDQCOZYXXZFHCR-FRRDWIJNSA-N 2 0 356.434 0.037 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001580385839 1278204574 /nfs/dbraw/zinc/20/45/74/1278204574.db2.gz WPBTWZUNLJJIQS-XOKHGSTOSA-N 2 0 369.473 0.897 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001318507656 1263581667 /nfs/dbraw/zinc/58/16/67/1263581667.db2.gz RCVSWBFLQFJOKJ-UHFFFAOYSA-N 2 0 368.570 0.341 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318502028 1263582290 /nfs/dbraw/zinc/58/22/90/1263582290.db2.gz FKKSGIBWMZRZCN-DLBZAZTESA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC001319601398 1263712664 /nfs/dbraw/zinc/71/26/64/1263712664.db2.gz KMCIAAHYNNNRLR-IBGZPJMESA-N 2 0 357.502 0.445 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@H+](C)CC1 ZINC001320921454 1263882969 /nfs/dbraw/zinc/88/29/69/1263882969.db2.gz FJOSKMALVYUUGT-CQSZACIVSA-N 2 0 374.489 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)CC[N@@H+]1C ZINC001496978512 1263907453 /nfs/dbraw/zinc/90/74/53/1263907453.db2.gz FGDUXVNYEGGSGA-FHLIZLRMSA-N 2 0 363.506 0.905 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CCC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001498194060 1263965704 /nfs/dbraw/zinc/96/57/04/1263965704.db2.gz HPKDLJQZXXQGIO-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001322042327 1264136018 /nfs/dbraw/zinc/13/60/18/1264136018.db2.gz YRTNWZUUWVDVOK-CQSZACIVSA-N 2 0 356.430 0.585 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506084446 1264290057 /nfs/dbraw/zinc/29/00/57/1264290057.db2.gz QWGCRWMSKBNROR-RBSFLKMASA-N 2 0 356.486 0.772 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001512851997 1264693934 /nfs/dbraw/zinc/69/39/34/1264693934.db2.gz CENAJQBIBWKEAS-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP Cc1nnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC001324849525 1264714799 /nfs/dbraw/zinc/71/47/99/1264714799.db2.gz AQTVMMJNGYLGNK-UHFFFAOYSA-N 2 0 372.477 0.530 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC001325087846 1264771786 /nfs/dbraw/zinc/77/17/86/1264771786.db2.gz ZHAJLSOZJIJRFT-PXNSSMCTSA-N 2 0 360.502 0.785 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001326036683 1265049522 /nfs/dbraw/zinc/04/95/22/1265049522.db2.gz TWUVOPIBOZBWGO-FGTMMUONSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580407223 1278243410 /nfs/dbraw/zinc/24/34/10/1278243410.db2.gz IUGVCSKNOKOJNA-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001513388125 1265085077 /nfs/dbraw/zinc/08/50/77/1265085077.db2.gz JWFIVKCDXSMEJU-OAGGEKHMSA-N 2 0 368.522 0.256 20 0 FCADRP Cc1cc(NC(=O)c2cn(CCC[NH3+])nn2)ccc1N1CC[NH+](C)CC1 ZINC001326356543 1265099098 /nfs/dbraw/zinc/09/90/98/1265099098.db2.gz NYKWWHHAUNSWHU-UHFFFAOYSA-N 2 0 357.462 0.939 20 0 FCADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC001326627440 1265144766 /nfs/dbraw/zinc/14/47/66/1265144766.db2.gz PYBUOLCEYSVLIP-DLBZAZTESA-N 2 0 361.490 0.707 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001327182764 1265247743 /nfs/dbraw/zinc/24/77/43/1265247743.db2.gz ZXVKBTISYZVILN-LJQANCHMSA-N 2 0 358.486 0.469 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001513639837 1265249061 /nfs/dbraw/zinc/24/90/61/1265249061.db2.gz VXQDMPPHWZDUKS-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001327318471 1265284343 /nfs/dbraw/zinc/28/43/43/1265284343.db2.gz IAQTZBSUIZLYKA-UHFFFAOYSA-N 2 0 367.538 0.121 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001327324021 1265285655 /nfs/dbraw/zinc/28/56/55/1265285655.db2.gz LWKYMAROOCNKEG-OWSLCNJRSA-N 2 0 367.538 0.550 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001327465929 1265332166 /nfs/dbraw/zinc/33/21/66/1265332166.db2.gz RNIXEJJKFNRMSK-DLBZAZTESA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC001333281948 1266570602 /nfs/dbraw/zinc/57/06/02/1266570602.db2.gz JKMUGNXTILAYEU-UHFFFAOYSA-N 2 0 372.517 0.052 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001333407091 1266594284 /nfs/dbraw/zinc/59/42/84/1266594284.db2.gz XOCIEZHFZXTJGN-WOVMCDHWSA-N 2 0 358.486 0.929 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001333437971 1266602894 /nfs/dbraw/zinc/60/28/94/1266602894.db2.gz HPDWSNYFHXRNEQ-KSZLIROESA-N 2 0 358.486 0.963 20 0 FCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)C1 ZINC001333635450 1266659185 /nfs/dbraw/zinc/65/91/85/1266659185.db2.gz HZKDIUPUDZRYFU-MRXNPFEDSA-N 2 0 361.494 0.055 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001334004950 1266774640 /nfs/dbraw/zinc/77/46/40/1266774640.db2.gz JZHKWAVORFKHRY-FZNQNYSPSA-N 2 0 350.438 0.569 20 0 FCADRP CC(C)(Cn1nnnc1N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC001334015856 1266778850 /nfs/dbraw/zinc/77/88/50/1266778850.db2.gz DIPREJUWUGVEJI-UHFFFAOYSA-N 2 0 365.526 0.831 20 0 FCADRP C[N@H+](CCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC001334216001 1266892130 /nfs/dbraw/zinc/89/21/30/1266892130.db2.gz TUWZJSWGNKQXBJ-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001334313100 1266942292 /nfs/dbraw/zinc/94/22/92/1266942292.db2.gz FLXLWQUOLLQLSL-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP C[N@@H+]1CCN(c2nnnn2CCCN2CCOCC2)CC12CCCCC2 ZINC001334460909 1267014741 /nfs/dbraw/zinc/01/47/41/1267014741.db2.gz FGJHFISVOODTLG-UHFFFAOYSA-N 2 0 363.510 0.850 20 0 FCADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001532773873 1267186487 /nfs/dbraw/zinc/18/64/87/1267186487.db2.gz BZMITPGTORLZKF-DJIMGWMZSA-N 2 0 352.523 0.925 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCOCC1 ZINC001548474107 1267721173 /nfs/dbraw/zinc/72/11/73/1267721173.db2.gz SASKIXWXYITNGJ-HYVNUMGLSA-N 2 0 366.506 0.095 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1c1ccccc1F ZINC001549048222 1267795851 /nfs/dbraw/zinc/79/58/51/1267795851.db2.gz BKEJGGFVQSCJAQ-JGGQBBKZSA-N 2 0 358.421 0.909 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC001549048608 1267796369 /nfs/dbraw/zinc/79/63/69/1267796369.db2.gz DDYXSGNDJCWROV-ZFWWWQNUSA-N 2 0 369.462 0.246 20 0 FCADRP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114110 1267813688 /nfs/dbraw/zinc/81/36/88/1267813688.db2.gz BHFWGFNJDGYHAF-VQIMIIECSA-N 2 0 358.490 0.576 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117814 1267814303 /nfs/dbraw/zinc/81/43/03/1267814303.db2.gz VBSQWCIFLBQIIV-GPMSIDNRSA-N 2 0 358.490 0.575 20 0 FCADRP COc1ccc(OC)c([C@H](O)C[NH2+]CC(=O)NCC[NH+]2CCCCC2)c1 ZINC001338553294 1267982639 /nfs/dbraw/zinc/98/26/39/1267982639.db2.gz ZUFHZCNNEPOVQH-QGZVFWFLSA-N 2 0 365.474 0.929 20 0 FCADRP O=C(NCCC1(O)CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338607142 1268002216 /nfs/dbraw/zinc/00/22/16/1268002216.db2.gz DKQFJJWCQQIKLP-CALCHBBNSA-N 2 0 366.506 0.528 20 0 FCADRP Cc1c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001550090809 1268071352 /nfs/dbraw/zinc/07/13/52/1268071352.db2.gz UENDVKGMKOLUGA-CVEARBPZSA-N 2 0 362.478 0.352 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[NH2+]C[C@H]3C(F)(F)F)CC2)C1=O ZINC001550092406 1268073090 /nfs/dbraw/zinc/07/30/90/1268073090.db2.gz FLQOMTBDQXYONY-XQQFMLRXSA-N 2 0 362.396 0.196 20 0 FCADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116790 1268079606 /nfs/dbraw/zinc/07/96/06/1268079606.db2.gz RVCDWJQJVUJLEP-DLBZAZTESA-N 2 0 360.506 0.578 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001550201838 1268090513 /nfs/dbraw/zinc/09/05/13/1268090513.db2.gz JGWFOFMROJKXTF-LSDHHAIUSA-N 2 0 354.470 0.657 20 0 FCADRP Cn1cc([C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC001550270582 1268102873 /nfs/dbraw/zinc/10/28/73/1268102873.db2.gz PFLVOYWXXCKFGU-QZTJIDSGSA-N 2 0 354.458 0.702 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@@H]2[NH3+])cn1 ZINC001550286127 1268104313 /nfs/dbraw/zinc/10/43/13/1268104313.db2.gz LZHYHZWGAVBNCZ-PMPSAXMXSA-N 2 0 362.478 0.015 20 0 FCADRP C[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285440 1268104438 /nfs/dbraw/zinc/10/44/38/1268104438.db2.gz NZOJWHYFNDPQFM-DLBZAZTESA-N 2 0 365.522 0.176 20 0 FCADRP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486174 1268127879 /nfs/dbraw/zinc/12/78/79/1268127879.db2.gz KENYMCKZBHEERW-LERJKICOSA-N 2 0 365.518 0.836 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C[C@H]1F ZINC001550756913 1268163063 /nfs/dbraw/zinc/16/30/63/1268163063.db2.gz NDSPXNWPGTVDCJ-KFWWJZLASA-N 2 0 351.426 0.712 20 0 FCADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912656 1268183852 /nfs/dbraw/zinc/18/38/52/1268183852.db2.gz JKSSPNXZNQRJNK-FVQSIRDASA-N 2 0 350.507 0.918 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2C[C@H]3COC[C@]3(c3nnc(C)o3)C2)CC1 ZINC001551007406 1268192275 /nfs/dbraw/zinc/19/22/75/1268192275.db2.gz IZFSFVHGMCLZEF-DHSIGJKJSA-N 2 0 363.462 0.130 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551160323 1268210908 /nfs/dbraw/zinc/21/09/08/1268210908.db2.gz WGGNNDZFZBBGTP-UHFFFAOYSA-N 2 0 352.523 0.630 20 0 FCADRP C[N@@H+]1C[C@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229798 1268215344 /nfs/dbraw/zinc/21/53/44/1268215344.db2.gz RUTBSVIRKXDVAA-INDMIFKZSA-N 2 0 358.486 0.792 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001551274933 1268219289 /nfs/dbraw/zinc/21/92/89/1268219289.db2.gz QPDYHUIFDMQOLR-UPTPFMHGSA-N 2 0 354.495 0.386 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001339396251 1268229034 /nfs/dbraw/zinc/22/90/34/1268229034.db2.gz QTCVBLDRMGUKAX-CQSZACIVSA-N 2 0 362.478 0.498 20 0 FCADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464317 1268256603 /nfs/dbraw/zinc/25/66/03/1268256603.db2.gz NVQMCESNRYRHSG-OAGGEKHMSA-N 2 0 354.495 0.242 20 0 FCADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464320 1268256700 /nfs/dbraw/zinc/25/67/00/1268256700.db2.gz NVQMCESNRYRHSG-OWCLPIDISA-N 2 0 354.495 0.242 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464161 1268256892 /nfs/dbraw/zinc/25/68/92/1268256892.db2.gz CADGOOJMOOGVLN-HZPDHXFCSA-N 2 0 354.495 0.555 20 0 FCADRP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001551468461 1268258052 /nfs/dbraw/zinc/25/80/52/1268258052.db2.gz QSVXNNYFLCXYCS-RTBURBONSA-N 2 0 357.502 0.843 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492939 1268261212 /nfs/dbraw/zinc/26/12/12/1268261212.db2.gz YWHILBQXCROBIN-UMHPPVOVSA-N 2 0 360.458 0.607 20 0 FCADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551505817 1268261793 /nfs/dbraw/zinc/26/17/93/1268261793.db2.gz XFXQPATZVAENDY-GARNVTTQSA-N 2 0 354.495 0.778 20 0 FCADRP COC[C@H]1C[NH2+]CCN1C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551495909 1268262398 /nfs/dbraw/zinc/26/23/98/1268262398.db2.gz BTAKHEADEZJHSP-UPTPFMHGSA-N 2 0 354.495 0.650 20 0 FCADRP [NH3+]C[C@]12C[C@H](CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCC2 ZINC001551553389 1268265788 /nfs/dbraw/zinc/26/57/88/1268265788.db2.gz GTKMUPHZMNPDPI-OVLVRJBISA-N 2 0 363.506 0.546 20 0 FCADRP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C2 ZINC001551554917 1268266614 /nfs/dbraw/zinc/26/66/14/1268266614.db2.gz KZJHYLYHWGPTDW-RGIVZKHGSA-N 2 0 363.506 0.274 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001551555011 1268266943 /nfs/dbraw/zinc/26/69/43/1268266943.db2.gz LQZCOUMDJKNAOM-JWDQPFGJSA-N 2 0 351.495 0.260 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)CC[C@@H]21 ZINC001551556019 1268267583 /nfs/dbraw/zinc/26/75/83/1268267583.db2.gz QWRANLBMFDSEPN-XLMAVXFVSA-N 2 0 363.506 0.369 20 0 FCADRP CC1(C)CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CC[N@@H+]1CCO ZINC001551555414 1268267649 /nfs/dbraw/zinc/26/76/49/1268267649.db2.gz XOGZDNLFSSOPAV-GJZGRUSLSA-N 2 0 364.412 0.627 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551556632 1268268283 /nfs/dbraw/zinc/26/82/83/1268268283.db2.gz AXTAHCKDDGSZDK-RDJZCZTQSA-N 2 0 351.495 0.369 20 0 FCADRP CC1(C)C[C@H]([NH3+])CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551557225 1268268301 /nfs/dbraw/zinc/26/83/01/1268268301.db2.gz URNFMOFHTNCIHO-LZWOXQAQSA-N 2 0 351.495 0.402 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC001551558785 1268269772 /nfs/dbraw/zinc/26/97/72/1268269772.db2.gz ZYNOFQDPIKEWQR-AEFFLSMTSA-N 2 0 374.489 0.594 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560941 1268271259 /nfs/dbraw/zinc/27/12/59/1268271259.db2.gz IRJSCIYHMAFVQE-AYBZRNKSSA-N 2 0 363.506 0.370 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@@H](C)[NH+]1C ZINC001551563820 1268272463 /nfs/dbraw/zinc/27/24/63/1268272463.db2.gz SBQUPSXXQDQPQK-GKLJAUDBSA-N 2 0 351.495 0.367 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC1 ZINC001551564450 1268272994 /nfs/dbraw/zinc/27/29/94/1268272994.db2.gz UONIIVSIBCBHMD-GOEBONIOSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1 ZINC001551564453 1268273027 /nfs/dbraw/zinc/27/30/27/1268273027.db2.gz UONIIVSIBCBHMD-HOCLYGCPSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551568893 1268273616 /nfs/dbraw/zinc/27/36/16/1268273616.db2.gz CMKPITYTOCKEOZ-RIUYPTKQSA-N 2 0 363.506 0.321 20 0 FCADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551573475 1268274169 /nfs/dbraw/zinc/27/41/69/1268274169.db2.gz WPEXEXJTEZOHMR-YQQAZPJKSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551575035 1268274215 /nfs/dbraw/zinc/27/42/15/1268274215.db2.gz DZTALMVAVTZIAS-IOTAOYMUSA-N 2 0 365.522 0.805 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551574792 1268274384 /nfs/dbraw/zinc/27/43/84/1268274384.db2.gz DDJOCVUKZBQTCI-VYDXJSESSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551575031 1268274579 /nfs/dbraw/zinc/27/45/79/1268274579.db2.gz DZTALMVAVTZIAS-AJTLQJAISA-N 2 0 365.522 0.805 20 0 FCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551582037 1268277572 /nfs/dbraw/zinc/27/75/72/1268277572.db2.gz SUHGYCPBFRHSRS-YXJHDRRASA-N 2 0 365.522 0.759 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551580542 1268277713 /nfs/dbraw/zinc/27/77/13/1268277713.db2.gz QBDRYKGTAVDSQO-BFYDXBDKSA-N 2 0 351.495 0.369 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551580564 1268277856 /nfs/dbraw/zinc/27/78/56/1268277856.db2.gz QBDRYKGTAVDSQO-VYDXJSESSA-N 2 0 351.495 0.369 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551582108 1268278379 /nfs/dbraw/zinc/27/83/79/1268278379.db2.gz TUGNHBAPTBKFQJ-YSVLISHTSA-N 2 0 351.495 0.274 20 0 FCADRP CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001551583778 1268278696 /nfs/dbraw/zinc/27/86/96/1268278696.db2.gz WRLCKOQJKLMIDS-ZMSDIMECSA-N 2 0 351.495 0.417 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551583726 1268278885 /nfs/dbraw/zinc/27/88/85/1268278885.db2.gz WMPXLXOZVPZMDW-LZLYRXPVSA-N 2 0 365.522 0.757 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001551593006 1268280474 /nfs/dbraw/zinc/28/04/74/1268280474.db2.gz NUFCXDDIXDMMBH-SOLBZPMBSA-N 2 0 363.506 0.513 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)nc1 ZINC001551591926 1268280958 /nfs/dbraw/zinc/28/09/58/1268280958.db2.gz PKNIYBSJWZEKGT-WUJZJPHMSA-N 2 0 358.490 0.855 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551592764 1268281140 /nfs/dbraw/zinc/28/11/40/1268281140.db2.gz MTRLFOZGINLESX-JJAZEVLHSA-N 2 0 351.495 0.415 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001551589697 1268281338 /nfs/dbraw/zinc/28/13/38/1268281338.db2.gz KSYCTAMQDIWYIF-XAUUPUKJSA-N 2 0 365.522 0.792 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)C1 ZINC001551595385 1268282227 /nfs/dbraw/zinc/28/22/27/1268282227.db2.gz UBPWZYIDSDBQHS-VIHIWDAPSA-N 2 0 365.522 0.303 20 0 FCADRP C[NH+]1CCC(CCNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551598537 1268283165 /nfs/dbraw/zinc/28/31/65/1268283165.db2.gz YGKDDOYRQYALOG-WMZOPIPTSA-N 2 0 365.522 0.664 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3c3cnn(C)c3C)C2)CC1 ZINC001552088559 1268368015 /nfs/dbraw/zinc/36/80/15/1268368015.db2.gz UXVVOVJMPBEZLR-NEWSRXKRSA-N 2 0 374.533 0.270 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552089065 1268368864 /nfs/dbraw/zinc/36/88/64/1268368864.db2.gz LKUIWKFOCVDFFZ-MRXNPFEDSA-N 2 0 355.446 0.602 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552100172 1268374562 /nfs/dbraw/zinc/37/45/62/1268374562.db2.gz UXIMSOMOHXXKSQ-GVDBMIGSSA-N 2 0 367.538 0.299 20 0 FCADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCCc3cc(C[NH3+])ccc32)nn1 ZINC001552163075 1268396604 /nfs/dbraw/zinc/39/66/04/1268396604.db2.gz SVKZUNVWEJNALD-YJBOKZPZSA-N 2 0 370.457 0.418 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)nn1 ZINC001552167551 1268400089 /nfs/dbraw/zinc/40/00/89/1268400089.db2.gz NWPDVSJGFUESPO-KCYZZUKISA-N 2 0 362.478 0.065 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cnn1C ZINC001552181593 1268405552 /nfs/dbraw/zinc/40/55/52/1268405552.db2.gz VBQDKXRBNLBMDS-FJIDUMEYSA-N 2 0 361.490 0.089 20 0 FCADRP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203368 1268409620 /nfs/dbraw/zinc/40/96/20/1268409620.db2.gz BAKMQMNZYFOORX-UZLBHIALSA-N 2 0 373.501 0.819 20 0 FCADRP CN1CCC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)([NH+]2CCCCC2)CC1 ZINC001552202971 1268409760 /nfs/dbraw/zinc/40/97/60/1268409760.db2.gz UBJQLIUNZRNEPS-VQIMIIECSA-N 2 0 350.507 0.289 20 0 FCADRP O=C(N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552217570 1268413435 /nfs/dbraw/zinc/41/34/35/1268413435.db2.gz SZINTTPXVNFWBC-HBUWYVDXSA-N 2 0 362.499 0.850 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2c2ccccc2)nn1 ZINC001552257242 1268423767 /nfs/dbraw/zinc/42/37/67/1268423767.db2.gz LAYUAVXAPMYNNT-BURFUSLBSA-N 2 0 370.457 0.281 20 0 FCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001340119128 1268441544 /nfs/dbraw/zinc/44/15/44/1268441544.db2.gz NKVYZTVCIIYCEE-ILXRZTDVSA-N 2 0 356.536 0.564 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001340122019 1268443204 /nfs/dbraw/zinc/44/32/04/1268443204.db2.gz QLBDBFQDKDWRNA-ZWKOTPCHSA-N 2 0 358.486 0.787 20 0 FCADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21 ZINC001552431049 1268461073 /nfs/dbraw/zinc/46/10/73/1268461073.db2.gz PNVNMJQBFAUMAW-GOEBONIOSA-N 2 0 360.458 0.982 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340239698 1268481180 /nfs/dbraw/zinc/48/11/80/1268481180.db2.gz BBEFUOGGAMDHHE-MGPUTAFESA-N 2 0 360.502 0.938 20 0 FCADRP C[C@H](CNC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001552601421 1268485554 /nfs/dbraw/zinc/48/55/54/1268485554.db2.gz CFXPOGOGRUJLLP-VQHPVUNQSA-N 2 0 363.510 0.895 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC001340251491 1268486523 /nfs/dbraw/zinc/48/65/23/1268486523.db2.gz XZVBPHVBBXVDAI-BBRMVZONSA-N 2 0 359.474 0.264 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1n1ccnn1 ZINC001552606579 1268488693 /nfs/dbraw/zinc/48/86/93/1268488693.db2.gz DEBFQBYSTRSKPE-IAGOWNOFSA-N 2 0 361.494 0.649 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1n1ccnn1 ZINC001552610481 1268491695 /nfs/dbraw/zinc/49/16/95/1268491695.db2.gz RCZNLHYSVHZKJO-IRXDYDNUSA-N 2 0 361.494 0.792 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC001552808670 1268552492 /nfs/dbraw/zinc/55/24/92/1268552492.db2.gz YZLRVOJLCJMSOV-KZNAEPCWSA-N 2 0 368.522 0.992 20 0 FCADRP Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)nnn1[C@H]1CC[NH2+]C1 ZINC001552924425 1268566518 /nfs/dbraw/zinc/56/65/18/1268566518.db2.gz AQWXGHBXYWXZKH-CJNGLKHVSA-N 2 0 355.446 0.867 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC001552966525 1268570649 /nfs/dbraw/zinc/57/06/49/1268570649.db2.gz HVTOAHMXDQUKTM-LJQANCHMSA-N 2 0 364.534 0.724 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC001552995356 1268574815 /nfs/dbraw/zinc/57/48/15/1268574815.db2.gz RUTFRQNUACVAPF-IAGOWNOFSA-N 2 0 366.550 0.828 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)C2 ZINC001552996210 1268575156 /nfs/dbraw/zinc/57/51/56/1268575156.db2.gz GGPCYSCWHFRSKU-QSUVVDIXSA-N 2 0 367.538 0.011 20 0 FCADRP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376640 1268640459 /nfs/dbraw/zinc/64/04/59/1268640459.db2.gz XELFAZCZVBFEHX-JOQOYGCGSA-N 2 0 365.499 0.809 20 0 FCADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376639 1268640706 /nfs/dbraw/zinc/64/07/06/1268640706.db2.gz XELFAZCZVBFEHX-JCKWVBRZSA-N 2 0 365.499 0.809 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384820 1268640825 /nfs/dbraw/zinc/64/08/25/1268640825.db2.gz XELXSJSRDSZNMS-HNAYVOBHSA-N 2 0 360.458 0.542 20 0 FCADRP Cc1ccc(C(=O)NCCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cc1F ZINC001553383218 1268641137 /nfs/dbraw/zinc/64/11/37/1268641137.db2.gz LENPLDVSWDRVRV-BEFAXECRSA-N 2 0 362.449 0.521 20 0 FCADRP Cc1ccc(C(=O)NCCNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cc1F ZINC001553383221 1268641372 /nfs/dbraw/zinc/64/13/72/1268641372.db2.gz LENPLDVSWDRVRV-KXBFYZLASA-N 2 0 362.449 0.521 20 0 FCADRP CN(C)C(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)cc1 ZINC001553389361 1268641877 /nfs/dbraw/zinc/64/18/77/1268641877.db2.gz LDWOULWLYAGOHP-KUHUBIRLSA-N 2 0 360.458 0.633 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553386894 1268642328 /nfs/dbraw/zinc/64/23/28/1268642328.db2.gz WLIYGQUSJOCVHH-WMLDXEAASA-N 2 0 351.472 0.248 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@@H]2C1 ZINC001553399742 1268644042 /nfs/dbraw/zinc/64/40/42/1268644042.db2.gz TVDLNVNUEBFQMM-QGHHPUGFSA-N 2 0 370.375 0.700 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553405797 1268646154 /nfs/dbraw/zinc/64/61/54/1268646154.db2.gz DPHCKEKDUZJSEI-HSALFYBXSA-N 2 0 372.513 0.960 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412035 1268647093 /nfs/dbraw/zinc/64/70/93/1268647093.db2.gz SPEJJJODYPGHTM-OWCLPIDISA-N 2 0 366.506 0.249 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424738 1268648366 /nfs/dbraw/zinc/64/83/66/1268648366.db2.gz ZUHBIDJJNZBTDA-CVEARBPZSA-N 2 0 354.495 0.411 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])c1 ZINC001553426751 1268648540 /nfs/dbraw/zinc/64/85/40/1268648540.db2.gz MODWYFRFPDLLSS-QZTJIDSGSA-N 2 0 368.485 0.915 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CC1 ZINC001553450175 1268653480 /nfs/dbraw/zinc/65/34/80/1268653480.db2.gz UJAQPIPDJISCAC-MRXNPFEDSA-N 2 0 368.522 0.944 20 0 FCADRP [NH3+]C[C@@]1(C2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001553490763 1268658697 /nfs/dbraw/zinc/65/86/97/1268658697.db2.gz YXGKAAGYSRHTLW-SFHVURJKSA-N 2 0 354.495 0.496 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507178 1268661468 /nfs/dbraw/zinc/66/14/68/1268661468.db2.gz JWZQVTDHUSLBPU-JKSUJKDBSA-N 2 0 352.479 0.389 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C[C@@H]2[NH3+])c1 ZINC001553513391 1268661638 /nfs/dbraw/zinc/66/16/38/1268661638.db2.gz ZCDYRYXMIKJZSX-OIISXLGYSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)NC[C@]34CCC[C@@H]3[NH2+]CC4)n2)C1 ZINC001553535073 1268665590 /nfs/dbraw/zinc/66/55/90/1268665590.db2.gz YUDBSAIDHIOJKA-SIXWZSSISA-N 2 0 358.490 0.950 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]C[C@@H]2F)CC1 ZINC001553546279 1268667095 /nfs/dbraw/zinc/66/70/95/1268667095.db2.gz GKJIUOAXJMXSOU-LSDHHAIUSA-N 2 0 369.485 0.592 20 0 FCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001553545552 1268667367 /nfs/dbraw/zinc/66/73/67/1268667367.db2.gz DEMBZRHUDQEFMT-CUSZFKRNSA-N 2 0 363.506 0.321 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)C1 ZINC001340844995 1268678565 /nfs/dbraw/zinc/67/85/65/1268678565.db2.gz PLVQREVIUUBHKE-GUDVDZBRSA-N 2 0 372.513 0.768 20 0 FCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[NH2+]CCN1C ZINC001340891946 1268695075 /nfs/dbraw/zinc/69/50/75/1268695075.db2.gz CTOJHASGQSIURV-QGZVFWFLSA-N 2 0 361.490 0.679 20 0 FCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001340895694 1268698149 /nfs/dbraw/zinc/69/81/49/1268698149.db2.gz WQONLDVWDDJRPP-AWEZNQCLSA-N 2 0 374.407 0.783 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001341303158 1268928377 /nfs/dbraw/zinc/92/83/77/1268928377.db2.gz PJLWTTYPKPLQHB-BRWVUGGUSA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001341389857 1268968581 /nfs/dbraw/zinc/96/85/81/1268968581.db2.gz XKVJHUBRJNHIBN-ZIFCJYIRSA-N 2 0 355.523 0.501 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O)[NH+](C)C ZINC001341522455 1269052237 /nfs/dbraw/zinc/05/22/37/1269052237.db2.gz PWMTXVZAHJPAPO-NUJGCVRESA-N 2 0 368.522 0.137 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001341585850 1269096244 /nfs/dbraw/zinc/09/62/44/1269096244.db2.gz NTTHVCVJKULRFT-CBZIJGRNSA-N 2 0 368.522 0.576 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001342341422 1269435131 /nfs/dbraw/zinc/43/51/31/1269435131.db2.gz VPPFLVLVAOFCJI-KRWDZBQOSA-N 2 0 360.458 0.797 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001565464215 1269474768 /nfs/dbraw/zinc/47/47/68/1269474768.db2.gz ZGOHWTIOXSYZCD-UHFFFAOYSA-N 2 0 367.538 0.914 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC)[NH+](C)C ZINC001343115550 1269780299 /nfs/dbraw/zinc/78/02/99/1269780299.db2.gz SOPXQMULGHNICL-QLFBSQMISA-N 2 0 354.495 0.153 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1 ZINC001343353648 1269872426 /nfs/dbraw/zinc/87/24/26/1269872426.db2.gz HFERMJZXABDEJC-QGZVFWFLSA-N 2 0 361.490 0.600 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC001343408585 1269899678 /nfs/dbraw/zinc/89/96/78/1269899678.db2.gz AJVPBGCOBYIYMT-ZHALLVOQSA-N 2 0 359.518 0.968 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)[NH+]1CCCCCC1 ZINC001343675889 1269980698 /nfs/dbraw/zinc/98/06/98/1269980698.db2.gz YPLGOEMRJYSJCX-BBWFWOEESA-N 2 0 368.522 0.281 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@@H]1O ZINC001343726215 1269992092 /nfs/dbraw/zinc/99/20/92/1269992092.db2.gz OTMYKYRRLHIYNM-CABCVRRESA-N 2 0 365.478 0.036 20 0 FCADRP C[NH+]1CCN(c2ccc(CCNC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001343783788 1270011338 /nfs/dbraw/zinc/01/13/38/1270011338.db2.gz PKCMURCMQONRIQ-IBGZPJMESA-N 2 0 360.502 0.866 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001573067001 1270588564 /nfs/dbraw/zinc/58/85/64/1270588564.db2.gz LBVUZSGAPKHOHY-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001573066905 1270588878 /nfs/dbraw/zinc/58/88/78/1270588878.db2.gz GRIXNJQXHKJWRV-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027742 1271006254 /nfs/dbraw/zinc/00/62/54/1271006254.db2.gz KQWZBIDIPIYIGZ-INIZCTEOSA-N 2 0 372.477 0.578 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574252451 1271121768 /nfs/dbraw/zinc/12/17/68/1271121768.db2.gz HTHANJNIIXADNP-MRXNPFEDSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](CCCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574577177 1271375445 /nfs/dbraw/zinc/37/54/45/1271375445.db2.gz QBKYEZJVHYOJEN-XJKSGUPXSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574592737 1271391120 /nfs/dbraw/zinc/39/11/20/1271391120.db2.gz KMXGOHMQQSHUCH-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596084 1271398006 /nfs/dbraw/zinc/39/80/06/1271398006.db2.gz HVTDGTFZHVVAGB-CZUORRHYSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574655141 1271454371 /nfs/dbraw/zinc/45/43/71/1271454371.db2.gz XSIOCHIZLHXLSK-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574670744 1271471927 /nfs/dbraw/zinc/47/19/27/1271471927.db2.gz BOUWDUXKVAHMQY-ZDUSSCGKSA-N 2 0 372.477 0.722 20 0 FCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673123 1271476945 /nfs/dbraw/zinc/47/69/45/1271476945.db2.gz ZGYDMMMOQUKRRA-BBRMVZONSA-N 2 0 372.477 0.863 20 0 FCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574853251 1271602591 /nfs/dbraw/zinc/60/25/91/1271602591.db2.gz MBZWGCGHJMSUSL-LBPRGKRZSA-N 2 0 358.450 0.190 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875657 1271630109 /nfs/dbraw/zinc/63/01/09/1271630109.db2.gz YAIJBYNNLBBTRV-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574877108 1271637174 /nfs/dbraw/zinc/63/71/74/1271637174.db2.gz PHIAYUPRCFHSBE-LBPRGKRZSA-N 2 0 358.450 0.544 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001575186097 1271772767 /nfs/dbraw/zinc/77/27/67/1271772767.db2.gz BVHFFRJUGRFYRJ-RHSMWYFYSA-N 2 0 355.479 0.859 20 0 FCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391180 1272038481 /nfs/dbraw/zinc/03/84/81/1272038481.db2.gz HBYFAROSWBTWTB-KBPBESRZSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391186 1272038596 /nfs/dbraw/zinc/03/85/96/1272038596.db2.gz HEEXAWQISPENEG-UONOGXRCSA-N 2 0 357.462 0.945 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419872 1272074719 /nfs/dbraw/zinc/07/47/19/1272074719.db2.gz FVWZVEUAQKSYFF-CVEARBPZSA-N 2 0 352.483 0.019 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001575439797 1272109893 /nfs/dbraw/zinc/10/98/93/1272109893.db2.gz QGOKOHLHGPVDTP-KGLIPLIRSA-N 2 0 370.461 0.428 20 0 FCADRP CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC001575545879 1272189322 /nfs/dbraw/zinc/18/93/22/1272189322.db2.gz QTQIJMHIMVDWCK-KFWWJZLASA-N 2 0 363.510 0.743 20 0 FCADRP CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001575682489 1272294627 /nfs/dbraw/zinc/29/46/27/1272294627.db2.gz PWDWMODDFHIRCE-KSSFIOAISA-N 2 0 361.494 0.392 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2ccn(C)n2)CC1 ZINC001575697192 1272315711 /nfs/dbraw/zinc/31/57/11/1272315711.db2.gz BRQVIRNQMAUEJC-GASCZTMLSA-N 2 0 358.494 0.795 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2nncn2C)CC1 ZINC001575698915 1272319396 /nfs/dbraw/zinc/31/93/96/1272319396.db2.gz WKPBYEPDXGKTNI-AWEZNQCLSA-N 2 0 359.482 0.410 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001575699681 1272321672 /nfs/dbraw/zinc/32/16/72/1272321672.db2.gz JLVUAGJAWZBHHH-QGZVFWFLSA-N 2 0 352.523 0.677 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC4CC4)n3CC[NH3+])C2)CC1 ZINC001575700576 1272322012 /nfs/dbraw/zinc/32/20/12/1272322012.db2.gz RJDALCFMDOLMPV-KRWDZBQOSA-N 2 0 361.538 0.794 20 0 FCADRP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(C)(C)[NH3+] ZINC001575713179 1272353233 /nfs/dbraw/zinc/35/32/33/1272353233.db2.gz SQMNNDDVIICEBY-UONOGXRCSA-N 2 0 363.510 0.827 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[N@H+](C)C(C)C ZINC001575716763 1272359356 /nfs/dbraw/zinc/35/93/56/1272359356.db2.gz UBZQSJDGSRYQKS-CQSZACIVSA-N 2 0 351.499 0.684 20 0 FCADRP CC(C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@H+](C)CCC[NH3+] ZINC001575879909 1272545726 /nfs/dbraw/zinc/54/57/26/1272545726.db2.gz PZDKZOJTGOIUCT-OAHLLOKOSA-N 2 0 365.526 0.739 20 0 FCADRP C[C@@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001575914965 1272559237 /nfs/dbraw/zinc/55/92/37/1272559237.db2.gz NWBHTIDOUFORDI-DLBZAZTESA-N 2 0 353.507 0.698 20 0 FCADRP C[C@@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001575914967 1272559551 /nfs/dbraw/zinc/55/95/51/1272559551.db2.gz NWBHTIDOUFORDI-IRXDYDNUSA-N 2 0 353.507 0.698 20 0 FCADRP C[C@@H](C[NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001575995037 1272664389 /nfs/dbraw/zinc/66/43/89/1272664389.db2.gz CNYMCHYWAWNAQX-ZFWWWQNUSA-N 2 0 361.494 0.356 20 0 FCADRP C[C@H](C[NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001575995853 1272667786 /nfs/dbraw/zinc/66/77/86/1272667786.db2.gz GARNEADLQVGZFI-ILXRZTDVSA-N 2 0 361.494 0.499 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)CC[NH+](C)C ZINC001576024793 1272727152 /nfs/dbraw/zinc/72/71/52/1272727152.db2.gz PSZKWSOMUAVZHQ-UKRRQHHQSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)CC[NH+](C)C ZINC001576024792 1272727245 /nfs/dbraw/zinc/72/72/45/1272727245.db2.gz PSZKWSOMUAVZHQ-HIFRSBDPSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576247417 1273025692 /nfs/dbraw/zinc/02/56/92/1273025692.db2.gz PGGDVALKDNIHMS-BBRMVZONSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576249047 1273029905 /nfs/dbraw/zinc/02/99/05/1273029905.db2.gz WLKMLJYTQMLSBI-STQMWFEESA-N 2 0 358.450 0.142 20 0 FCADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256064 1273040925 /nfs/dbraw/zinc/04/09/25/1273040925.db2.gz NRCHBYZZIQQMRK-UONOGXRCSA-N 2 0 370.461 0.286 20 0 FCADRP CCC(=O)NCC[NH+]1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576476367 1273311936 /nfs/dbraw/zinc/31/19/36/1273311936.db2.gz UKFQBOWZZRSCMR-UHFFFAOYSA-N 2 0 358.450 0.395 20 0 FCADRP CC[C@@H](C(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576484000 1273327590 /nfs/dbraw/zinc/32/75/90/1273327590.db2.gz YDPCJZQIAZJPJT-AWEZNQCLSA-N 2 0 360.466 0.805 20 0 FCADRP CC[C@H](C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576490246 1273342222 /nfs/dbraw/zinc/34/22/22/1273342222.db2.gz KOFFIXZZCDZLKF-OAHLLOKOSA-N 2 0 358.450 0.427 20 0 FCADRP CC[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576499006 1273359603 /nfs/dbraw/zinc/35/96/03/1273359603.db2.gz GNMVZTUCZPOZRF-HNNXBMFYSA-N 2 0 372.477 0.722 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576499549 1273362425 /nfs/dbraw/zinc/36/24/25/1273362425.db2.gz RXWMGEXULGPXLI-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499972 1273364228 /nfs/dbraw/zinc/36/42/28/1273364228.db2.gz VKTXFZDKUHXTNZ-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576506428 1273374392 /nfs/dbraw/zinc/37/43/92/1273374392.db2.gz QQZGJLOSUQPHOE-XHDPSFHLSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576505733 1273375124 /nfs/dbraw/zinc/37/51/24/1273375124.db2.gz LCYZOBYVUISEOC-WOSRLPQWSA-N 2 0 372.477 0.721 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)NCC[C@@H]2CC[N@H+](CCc3cn[nH]n3)C2)cn1 ZINC001576750169 1273620209 /nfs/dbraw/zinc/62/02/09/1273620209.db2.gz NSDZHWDGERXOIG-OAHLLOKOSA-N 2 0 374.493 0.247 20 0 FCADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576784384 1273674219 /nfs/dbraw/zinc/67/42/19/1273674219.db2.gz DCODVGCMUQPWSX-LBPRGKRZSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789382 1273681670 /nfs/dbraw/zinc/68/16/70/1273681670.db2.gz GENLPVQZHQIVER-HZPDHXFCSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805587 1273714542 /nfs/dbraw/zinc/71/45/42/1273714542.db2.gz IQSFXAQSDZWPFH-UONOGXRCSA-N 2 0 372.477 0.641 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C2CC2)[NH+](C)C)CC[NH2+]1 ZINC001576825585 1273749599 /nfs/dbraw/zinc/74/95/99/1273749599.db2.gz JACHJENPXHCYIW-CZUORRHYSA-N 2 0 356.478 0.873 20 0 FCADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001576855734 1273808459 /nfs/dbraw/zinc/80/84/59/1273808459.db2.gz WESWBYPQNIAODN-CQSZACIVSA-N 2 0 350.467 0.342 20 0 FCADRP O=C(NCc1cn(C2C[NH2+]C2)nn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001580727693 1278817666 /nfs/dbraw/zinc/81/76/66/1278817666.db2.gz YRSOYUMVBRNTAW-OAHLLOKOSA-N 2 0 355.446 0.496 20 0 FCADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001576996790 1274029306 /nfs/dbraw/zinc/02/93/06/1274029306.db2.gz XDSHVMVJUNNBMM-YHUYYLMFSA-N 2 0 364.494 0.994 20 0 FCADRP CC[C@@H]([NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001577139187 1274190167 /nfs/dbraw/zinc/19/01/67/1274190167.db2.gz SOWWXAQOFRAYJE-KGLIPLIRSA-N 2 0 363.510 0.887 20 0 FCADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577165851 1274210516 /nfs/dbraw/zinc/21/05/16/1274210516.db2.gz QOJDDAAPKBSREK-ZFWWWQNUSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@H+](C)C2)CC[C@H]1[NH3+] ZINC001577296456 1274313026 /nfs/dbraw/zinc/31/30/26/1274313026.db2.gz PFWIQODYGQNWIP-MDZRGWNJSA-N 2 0 362.522 0.861 20 0 FCADRP CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577444687 1274411684 /nfs/dbraw/zinc/41/16/84/1274411684.db2.gz CSJWELUECAPGKZ-DEYYWGMASA-N 2 0 361.494 0.499 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499481 1274456376 /nfs/dbraw/zinc/45/63/76/1274456376.db2.gz MLFKYRSCETXHTC-QLFBSQMISA-N 2 0 363.510 0.745 20 0 FCADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001577530637 1274474052 /nfs/dbraw/zinc/47/40/52/1274474052.db2.gz MJMSYCVQWWDWOJ-GDBMZVCRSA-N 2 0 358.494 0.948 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577555087 1274497651 /nfs/dbraw/zinc/49/76/51/1274497651.db2.gz XQZCGDLDNUEXBJ-DZGCQCFKSA-N 2 0 372.477 0.735 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577558207 1274502070 /nfs/dbraw/zinc/50/20/70/1274502070.db2.gz DAVOTQZGXOUKPV-GFCCVEGCSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577559165 1274503539 /nfs/dbraw/zinc/50/35/39/1274503539.db2.gz STYVMIZMLKHFTC-GOSISDBHSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577565116 1274520485 /nfs/dbraw/zinc/52/04/85/1274520485.db2.gz IWQXWMDLAFNEID-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577565457 1274522344 /nfs/dbraw/zinc/52/23/44/1274522344.db2.gz XTKZYQBBIUNZLS-IUODEOHRSA-N 2 0 372.477 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577565408 1274522402 /nfs/dbraw/zinc/52/24/02/1274522402.db2.gz UMBCMTIOVFQQFT-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577571160 1274532891 /nfs/dbraw/zinc/53/28/91/1274532891.db2.gz VYGLQIPDSSLMAG-UHFFFAOYSA-N 2 0 372.477 0.951 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570917 1274534401 /nfs/dbraw/zinc/53/44/01/1274534401.db2.gz MIJAYWMPMWUHHL-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665011 1274682001 /nfs/dbraw/zinc/68/20/01/1274682001.db2.gz LBYREARZQIUKGH-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577666257 1274684630 /nfs/dbraw/zinc/68/46/30/1274684630.db2.gz YCNGBNOKMRWOPB-CQSZACIVSA-N 2 0 372.477 0.936 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666320 1274686491 /nfs/dbraw/zinc/68/64/91/1274686491.db2.gz ZHHWERNOFIRLTQ-XJKSGUPXSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668840 1274694847 /nfs/dbraw/zinc/69/48/47/1274694847.db2.gz NPNMXXUHPWWOFY-BBRMVZONSA-N 2 0 372.477 0.783 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670615 1274700030 /nfs/dbraw/zinc/70/00/30/1274700030.db2.gz XIHHNKCLJGQFQP-CJNGLKHVSA-N 2 0 370.461 0.571 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577759520 1274840586 /nfs/dbraw/zinc/84/05/86/1274840586.db2.gz GZBAQKLTONMWRY-RDBSUJKOSA-N 2 0 351.499 0.682 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577770196 1274856845 /nfs/dbraw/zinc/85/68/45/1274856845.db2.gz BYXHKZLFEVQMJJ-CABCVRRESA-N 2 0 361.494 0.422 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577856279 1275010128 /nfs/dbraw/zinc/01/01/28/1275010128.db2.gz VQTHXQLJCIMJMB-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577860204 1275022915 /nfs/dbraw/zinc/02/29/15/1275022915.db2.gz SYOHSUWEQKUKHF-HNNXBMFYSA-N 2 0 374.493 0.968 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862726 1275031834 /nfs/dbraw/zinc/03/18/34/1275031834.db2.gz JIHSDOBJIXXBBY-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577862647 1275032013 /nfs/dbraw/zinc/03/20/13/1275032013.db2.gz HOHBLJNHXBSEIK-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866123 1275043363 /nfs/dbraw/zinc/04/33/63/1275043363.db2.gz AJQZGZOKQAHCCU-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866893 1275045820 /nfs/dbraw/zinc/04/58/20/1275045820.db2.gz OMPQCZXOYFGODM-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577871671 1275060290 /nfs/dbraw/zinc/06/02/90/1275060290.db2.gz NEYXPPUNCIXAAG-GASCZTMLSA-N 2 0 357.462 0.945 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577882688 1275082411 /nfs/dbraw/zinc/08/24/11/1275082411.db2.gz KAGOAUYNELQSTE-OAHLLOKOSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882925 1275083708 /nfs/dbraw/zinc/08/37/08/1275083708.db2.gz PKHFJNAZKLYPIP-MLGOLLRUSA-N 2 0 372.477 0.593 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577885529 1275089664 /nfs/dbraw/zinc/08/96/64/1275089664.db2.gz GBFNIOAXZCOQND-AWEZNQCLSA-N 2 0 372.477 0.676 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577886155 1275091859 /nfs/dbraw/zinc/09/18/59/1275091859.db2.gz YYVNOOOMJHUIIQ-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888156 1275094325 /nfs/dbraw/zinc/09/43/25/1275094325.db2.gz DXXPXHHSDBJLDZ-SFHVURJKSA-N 2 0 372.477 0.997 20 0 FCADRP CC[N@H+](CCNC(=O)Cc1cncn1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578029796 1275304021 /nfs/dbraw/zinc/30/40/21/1275304021.db2.gz RIUJDAABFXRWQW-UHFFFAOYSA-N 2 0 374.474 0.843 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@@H](C)C1 ZINC001578108083 1275411303 /nfs/dbraw/zinc/41/13/03/1275411303.db2.gz NVBJXFFNXJZZGJ-JKSUJKDBSA-N 2 0 353.507 0.744 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001578110007 1275412760 /nfs/dbraw/zinc/41/27/60/1275412760.db2.gz RIKGMGBLONTVLX-INIZCTEOSA-N 2 0 372.477 0.737 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC1CC[NH+](C)CC1 ZINC001578135729 1275434769 /nfs/dbraw/zinc/43/47/69/1275434769.db2.gz GZGDMCYFBPGEPO-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001578138706 1275437938 /nfs/dbraw/zinc/43/79/38/1275437938.db2.gz ISALGOJXACZMRT-KBPBESRZSA-N 2 0 372.477 0.674 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219760 1275517526 /nfs/dbraw/zinc/51/75/26/1275517526.db2.gz QCMHMJVILZFFIH-BBRMVZONSA-N 2 0 372.477 0.865 20 0 FCADRP CCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578315630 1275655256 /nfs/dbraw/zinc/65/52/56/1275655256.db2.gz VBFLAHHMIPHYHK-DLBZAZTESA-N 2 0 363.554 0.912 20 0 FCADRP CCc1nnc(N2CC[C@@H]([NH2+]C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001578314869 1275655867 /nfs/dbraw/zinc/65/58/67/1275655867.db2.gz FGGMVNDDUNEXCT-DLBZAZTESA-N 2 0 363.554 0.912 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC23CC[NH2+]CC3)CC1 ZINC001578399218 1275774194 /nfs/dbraw/zinc/77/41/94/1275774194.db2.gz VXGZNCUVOXDPLC-UHFFFAOYSA-N 2 0 351.495 0.467 20 0 FCADRP C[NH+](C)[C@@H](Cn1c(C2CC[NH2+]CC2)nnc1N1CCNC(=O)C1)C1CC1 ZINC001578407657 1275780808 /nfs/dbraw/zinc/78/08/08/1275780808.db2.gz ALDMIXKYPQJGGN-HNNXBMFYSA-N 2 0 361.494 0.022 20 0 FCADRP C[NH+](C)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H]([NH3+])C2)CCOCC1 ZINC001578411878 1275783382 /nfs/dbraw/zinc/78/33/82/1275783382.db2.gz ZAPGTPVUIKBHEP-CABCVRRESA-N 2 0 364.494 0.430 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001578417019 1275786221 /nfs/dbraw/zinc/78/62/21/1275786221.db2.gz LNCSQBPUAGIMQJ-HNNXBMFYSA-N 2 0 351.499 0.158 20 0 FCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001578419014 1275787495 /nfs/dbraw/zinc/78/74/95/1275787495.db2.gz VLGZGQRVNDSILO-UONOGXRCSA-N 2 0 368.503 0.983 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001578471352 1275884948 /nfs/dbraw/zinc/88/49/48/1275884948.db2.gz WXYSOVXSUPGLIV-UHFFFAOYSA-N 2 0 350.463 0.456 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525902 1275959009 /nfs/dbraw/zinc/95/90/09/1275959009.db2.gz TWPKSAUGXIUNDW-QAPCUYQASA-N 2 0 364.494 0.038 20 0 FCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529714 1275960766 /nfs/dbraw/zinc/96/07/66/1275960766.db2.gz YLQVBRYLCSUBQA-SOUVJXGZSA-N 2 0 350.463 0.550 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)CCN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC001578533639 1275964316 /nfs/dbraw/zinc/96/43/16/1275964316.db2.gz QMWBIILJEZXLIR-IBGZPJMESA-N 2 0 359.518 0.387 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@H](c2ccccc2)C1 ZINC001578533724 1275965013 /nfs/dbraw/zinc/96/50/13/1275965013.db2.gz VARBOEQAHJZERC-SVFBPWRDSA-N 2 0 372.513 0.717 20 0 FCADRP O=C(c1nnc(N2CC[NH2+]CC2)n1CC[N@H+]1CC=CCC1)N1CCCC1 ZINC001580834418 1279010469 /nfs/dbraw/zinc/01/04/69/1279010469.db2.gz YIYKKJYLUIIUPR-UHFFFAOYSA-N 2 0 359.478 0.186 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC12C[NH2+]C2 ZINC001578795772 1276283831 /nfs/dbraw/zinc/28/38/31/1276283831.db2.gz RWFHAKGAGWGDFB-UONOGXRCSA-N 2 0 354.495 0.757 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001578841490 1276360327 /nfs/dbraw/zinc/36/03/27/1276360327.db2.gz GJFGTIBPAKRECN-JTOWHCCKSA-N 2 0 352.479 0.640 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCC1([NH+](C)C)CCCC1)C2 ZINC001578843756 1276365080 /nfs/dbraw/zinc/36/50/80/1276365080.db2.gz YDANFNLKZXPTSU-QWQRMKEZSA-N 2 0 352.479 0.783 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578969128 1276512908 /nfs/dbraw/zinc/51/29/08/1276512908.db2.gz RWUCYQUTPRLKHM-CYBMUJFWSA-N 2 0 370.461 0.286 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578973307 1276519769 /nfs/dbraw/zinc/51/97/69/1276519769.db2.gz LJYHEVLNIZCJSD-HNNXBMFYSA-N 2 0 358.450 0.284 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578974951 1276524288 /nfs/dbraw/zinc/52/42/88/1276524288.db2.gz YGBCOZQEMGNHHK-CALCHBBNSA-N 2 0 369.473 0.994 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578974989 1276524928 /nfs/dbraw/zinc/52/49/28/1276524928.db2.gz ZSWAOBSEQYGWRP-AWEZNQCLSA-N 2 0 357.462 0.757 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001578976165 1276526081 /nfs/dbraw/zinc/52/60/81/1276526081.db2.gz PRKVHDIDMCQQDY-KGLIPLIRSA-N 2 0 370.461 0.498 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578975629 1276526554 /nfs/dbraw/zinc/52/65/54/1276526554.db2.gz CCRLXUZZJJNMHN-SFHVURJKSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979216 1276539181 /nfs/dbraw/zinc/53/91/81/1276539181.db2.gz XRBYLNOTIUKZGB-ZFWWWQNUSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCC(=O)NCC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578979322 1276539431 /nfs/dbraw/zinc/53/94/31/1276539431.db2.gz ZUJDEKKNNFGPQF-UHFFFAOYSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578980169 1276540440 /nfs/dbraw/zinc/54/04/40/1276540440.db2.gz CDPFVCHASFUEHI-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578983547 1276547494 /nfs/dbraw/zinc/54/74/94/1276547494.db2.gz LZYPSIFNWIDAML-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)cs2)C[C@H]1C[NH+](C)C ZINC001578992505 1276567272 /nfs/dbraw/zinc/56/72/72/1276567272.db2.gz XCUGLRWVHTWILJ-CHWSQXEVSA-N 2 0 363.491 0.740 20 0 FCADRP C[N@H+](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579005756 1276574075 /nfs/dbraw/zinc/57/40/75/1276574075.db2.gz CGMDUJNUUNDPAA-INIZCTEOSA-N 2 0 370.461 0.475 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH3+])C[C@H]1C ZINC001579037574 1276620811 /nfs/dbraw/zinc/62/08/11/1276620811.db2.gz RWCXMLDMCWWSPZ-BZUAXINKSA-N 2 0 366.510 0.881 20 0 FCADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@H](C)[NH+](C)C ZINC001579080581 1276705591 /nfs/dbraw/zinc/70/55/91/1276705591.db2.gz CTLVLSDLCIXNQT-FZKCQIBNSA-N 2 0 366.510 0.737 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169139 1276919998 /nfs/dbraw/zinc/91/99/98/1276919998.db2.gz MJKOBUPJDXZMIE-HNNXBMFYSA-N 2 0 361.425 0.648 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)cc1 ZINC001579213893 1277006950 /nfs/dbraw/zinc/00/69/50/1277006950.db2.gz ROLFBJKVOIKSOK-YLJYHZDGSA-N 2 0 359.470 0.966 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC001579275514 1277080912 /nfs/dbraw/zinc/08/09/12/1277080912.db2.gz XIBAISZAXKLEBT-QGZVFWFLSA-N 2 0 358.442 0.927 20 0 FCADRP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325255 1277142797 /nfs/dbraw/zinc/14/27/97/1277142797.db2.gz GFANYIZVDRFCHC-CYBMUJFWSA-N 2 0 358.450 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325958 1277149744 /nfs/dbraw/zinc/14/97/44/1277149744.db2.gz LTLLEUWMUUMSQI-KBPBESRZSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325964 1277150303 /nfs/dbraw/zinc/15/03/03/1277150303.db2.gz LTLLEUWMUUMSQI-ZIAGYGMSSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327376 1277155502 /nfs/dbraw/zinc/15/55/02/1277155502.db2.gz RLSRFIHDTBWSDC-DOTOQJQBSA-N 2 0 369.473 0.757 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001579327738 1277155583 /nfs/dbraw/zinc/15/55/83/1277155583.db2.gz XAQAJBRASJIXBV-UHFFFAOYSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328468 1277157690 /nfs/dbraw/zinc/15/76/90/1277157690.db2.gz CNONOYHVUBNDPZ-KRWDZBQOSA-N 2 0 369.473 0.853 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001579331257 1277159997 /nfs/dbraw/zinc/15/99/97/1277159997.db2.gz BQXFYFFNZFRMKI-INIZCTEOSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCC2)C1 ZINC001579331873 1277161318 /nfs/dbraw/zinc/16/13/18/1277161318.db2.gz IDUZAIKLJYQZOM-INIZCTEOSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332049 1277162723 /nfs/dbraw/zinc/16/27/23/1277162723.db2.gz IERCHQKGRSVEOR-ARWYELJZSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331520 1277163165 /nfs/dbraw/zinc/16/31/65/1277163165.db2.gz FGKQUXAICLOXGE-OAHLLOKOSA-N 2 0 355.446 0.557 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579333975 1277169188 /nfs/dbraw/zinc/16/91/88/1277169188.db2.gz AWPCCDLISDEJOS-ZDUSSCGKSA-N 2 0 370.461 0.546 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333837 1277169228 /nfs/dbraw/zinc/16/92/28/1277169228.db2.gz SKZQIEBZDRTHRS-BEFAXECRSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334005 1277170632 /nfs/dbraw/zinc/17/06/32/1277170632.db2.gz UJVGBQUHSPVUSV-NVXWUHKLSA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339636 1277182909 /nfs/dbraw/zinc/18/29/09/1277182909.db2.gz LGMXLJWKQNFJPU-NCOADZHNSA-N 2 0 367.457 0.365 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339352 1277183335 /nfs/dbraw/zinc/18/33/35/1277183335.db2.gz GBOCUDNOWGEOMH-HRCADAONSA-N 2 0 355.446 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339760 1277183568 /nfs/dbraw/zinc/18/35/68/1277183568.db2.gz LSDPHYKSIQTUEA-SDDRHHMPSA-N 2 0 361.475 0.617 20 0 FCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340296 1277185953 /nfs/dbraw/zinc/18/59/53/1277185953.db2.gz TYBSFMLEJMXRFC-UONOGXRCSA-N 2 0 370.461 0.641 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341392 1277189365 /nfs/dbraw/zinc/18/93/65/1277189365.db2.gz KARPDAZHJHECLY-HOCLYGCPSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346198 1277199144 /nfs/dbraw/zinc/19/91/44/1277199144.db2.gz ZMBBYIJBABRQMR-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353122 1277208267 /nfs/dbraw/zinc/20/82/67/1277208267.db2.gz DWCZXHNDIPJZJV-BBRMVZONSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353384 1277212412 /nfs/dbraw/zinc/21/24/12/1277212412.db2.gz KTJYSFPOTAYICO-WFASDCNBSA-N 2 0 356.434 0.181 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356748 1277222632 /nfs/dbraw/zinc/22/26/32/1277222632.db2.gz MKLNFLGBDYPDBV-SJORKVTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358879 1277229795 /nfs/dbraw/zinc/22/97/95/1277229795.db2.gz LCMSOJYWQIQGFM-IAGOWNOFSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359297 1277231602 /nfs/dbraw/zinc/23/16/02/1277231602.db2.gz RWOMVIUBZNJWNQ-MRXNPFEDSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366259 1277247786 /nfs/dbraw/zinc/24/77/86/1277247786.db2.gz QKDJGDIQTBQBPQ-CZUORRHYSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369950 1277253445 /nfs/dbraw/zinc/25/34/45/1277253445.db2.gz DCAXXWFUYVERQE-CZUORRHYSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001579439956 1277316818 /nfs/dbraw/zinc/31/68/18/1277316818.db2.gz FPNIOPPLHVNUHF-MCIONIFRSA-N 2 0 353.463 0.984 20 0 FCADRP Cn1cccc1-c1nnc(N2CC[NH2+]CC2)n1CC[NH+]1CCSCC1 ZINC001579973849 1277982726 /nfs/dbraw/zinc/98/27/26/1277982726.db2.gz DJWQYAYTTURUQI-UHFFFAOYSA-N 2 0 361.519 0.742 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC001580258856 1278057092 /nfs/dbraw/zinc/05/70/92/1278057092.db2.gz ZWYUGYYIFJOFMK-LSDHHAIUSA-N 2 0 351.495 0.629 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580272603 1278066410 /nfs/dbraw/zinc/06/64/10/1278066410.db2.gz GBSAOWDAZFYUJI-ZFWWWQNUSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580273863 1278066869 /nfs/dbraw/zinc/06/68/69/1278066869.db2.gz DLZHHHSUPYWHNQ-WOSRLPQWSA-N 2 0 357.462 0.801 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580279148 1278077766 /nfs/dbraw/zinc/07/77/66/1278077766.db2.gz MWXVFPJEZUGHKK-DZGCQCFKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580279846 1278077979 /nfs/dbraw/zinc/07/79/79/1278077979.db2.gz IUGVCSKNOKOJNA-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC001580857870 1279053905 /nfs/dbraw/zinc/05/39/05/1279053905.db2.gz ADONYCHRAWAMCS-FPCVCCKLSA-N 2 0 353.463 0.300 20 0 FCADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001580859238 1279054203 /nfs/dbraw/zinc/05/42/03/1279054203.db2.gz WFWAZCOKOPFDJY-HZPDHXFCSA-N 2 0 357.454 0.965 20 0 FCADRP O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001580865342 1279064962 /nfs/dbraw/zinc/06/49/62/1279064962.db2.gz BUSBFPNSBCILCE-UHFFFAOYSA-N 2 0 350.444 0.530 20 0 FCADRP Cc1cc(N(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949939 1279155943 /nfs/dbraw/zinc/15/59/43/1279155943.db2.gz URNBSTUKZJMQMT-CYBMUJFWSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956138 1279160794 /nfs/dbraw/zinc/16/07/94/1279160794.db2.gz GUUYJWQVPTVQKS-CYBMUJFWSA-N 2 0 358.450 0.464 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960386 1279164245 /nfs/dbraw/zinc/16/42/45/1279164245.db2.gz DDDPCMAUOVPBSJ-KGLIPLIRSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972628 1279173240 /nfs/dbraw/zinc/17/32/40/1279173240.db2.gz RZFOQOUWOVPNPA-CYBMUJFWSA-N 2 0 356.434 0.361 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987084 1279183460 /nfs/dbraw/zinc/18/34/60/1279183460.db2.gz FOUITEIKNQQUBB-XHDPSFHLSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989529 1279190181 /nfs/dbraw/zinc/19/01/81/1279190181.db2.gz OFENJXMXBTZVPW-STQMWFEESA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991129 1279192816 /nfs/dbraw/zinc/19/28/16/1279192816.db2.gz LDAYBARKXMOBOX-CJNGLKHVSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990706 1279193568 /nfs/dbraw/zinc/19/35/68/1279193568.db2.gz HISFYAVEPVHWJS-DOMZBBRYSA-N 2 0 358.450 0.345 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)CCC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993054 1279198431 /nfs/dbraw/zinc/19/84/31/1279198431.db2.gz FMYRBBMWOLOBRG-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994161 1279200200 /nfs/dbraw/zinc/20/02/00/1279200200.db2.gz QPBSSLICFIDLGO-BBRMVZONSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994957 1279203757 /nfs/dbraw/zinc/20/37/57/1279203757.db2.gz UMOAFDWZLONEGP-CYBMUJFWSA-N 2 0 372.477 0.783 20 0 FCADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707853 1287332161 /nfs/dbraw/zinc/33/21/61/1287332161.db2.gz SQZXKCJFFJWLRZ-SQWLQELKSA-N 2 0 350.463 0.673 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010644 1279237011 /nfs/dbraw/zinc/23/70/11/1279237011.db2.gz RUBBRSZTIJZUBA-LBPRGKRZSA-N 2 0 370.461 0.252 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013788 1279240194 /nfs/dbraw/zinc/24/01/94/1279240194.db2.gz WCWOGZWEKRFZCC-IACUBPJLSA-N 2 0 372.477 0.496 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016324 1279245417 /nfs/dbraw/zinc/24/54/17/1279245417.db2.gz LBPJBPKZXFFSFL-HNNXBMFYSA-N 2 0 374.493 0.887 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023961 1279255093 /nfs/dbraw/zinc/25/50/93/1279255093.db2.gz XUDKDOTWSNDUEP-KGLIPLIRSA-N 2 0 370.461 0.204 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024973 1279256654 /nfs/dbraw/zinc/25/66/54/1279256654.db2.gz LXJKHKPWQHUOAW-LRDDRELGSA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027804 1279263484 /nfs/dbraw/zinc/26/34/84/1279263484.db2.gz XUPBPGBBUHPKTL-OAHLLOKOSA-N 2 0 360.466 0.449 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030052 1279265790 /nfs/dbraw/zinc/26/57/90/1279265790.db2.gz JNVLVKVZYOMPBS-IUODEOHRSA-N 2 0 370.461 0.250 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@H]3CCS(=O)(=O)C3)CCCC2)CC[N@@H+]1C ZINC001715095088 1287344565 /nfs/dbraw/zinc/34/45/65/1287344565.db2.gz OLLDWWAVQJNDRX-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc3ccccc3n2C)CC[N@@H+]1C ZINC001715589066 1287356359 /nfs/dbraw/zinc/35/63/59/1287356359.db2.gz XUJSFOFUFUGUMV-RBSFLKMASA-N 2 0 359.474 0.480 20 0 FCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603524680 1287403286 /nfs/dbraw/zinc/40/32/86/1287403286.db2.gz RFOHPQZWUOUWFO-LBPRGKRZSA-N 2 0 358.450 0.544 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001717453058 1287421889 /nfs/dbraw/zinc/42/18/89/1287421889.db2.gz AWOPALAHXOSOJG-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717701175 1287432546 /nfs/dbraw/zinc/43/25/46/1287432546.db2.gz UWUKZINDRRGHOW-UMVBOHGHSA-N 2 0 367.494 0.094 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582098909 1281054713 /nfs/dbraw/zinc/05/47/13/1281054713.db2.gz CKJARHSATOVQHK-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582100246 1281057049 /nfs/dbraw/zinc/05/70/49/1281057049.db2.gz BMPLYFWWMSHQNR-HDJSIYSDSA-N 2 0 373.436 0.838 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C[C@@H]1C[NH3+] ZINC001603847997 1287518257 /nfs/dbraw/zinc/51/82/57/1287518257.db2.gz VQKQPEGYQAWPFV-CBBWQLFWSA-N 2 0 360.462 0.912 20 0 FCADRP CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604296459 1287599294 /nfs/dbraw/zinc/59/92/94/1287599294.db2.gz IOGXUXFNTXMBPJ-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP CC(C)[C@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001589418420 1282877645 /nfs/dbraw/zinc/87/76/45/1282877645.db2.gz QUXGIIYJDJEVLC-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@@H](CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001589828118 1283066400 /nfs/dbraw/zinc/06/64/00/1283066400.db2.gz MSRQQEHLLGDVOR-AWEZNQCLSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001589827713 1283066956 /nfs/dbraw/zinc/06/69/56/1283066956.db2.gz CPWXDMYTJLPDOR-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP CC1(C)C[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590109889 1283222195 /nfs/dbraw/zinc/22/21/95/1283222195.db2.gz SPCISCOATNQBKG-INIZCTEOSA-N 2 0 369.473 0.945 20 0 FCADRP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213064 1283346675 /nfs/dbraw/zinc/34/66/75/1283346675.db2.gz ARAWZHXRUAOOII-HLNSBACISA-N 2 0 372.473 0.777 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590227095 1283356952 /nfs/dbraw/zinc/35/69/52/1283356952.db2.gz KKTIZFAOBBLQKR-ZIAGYGMSSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590226677 1283356965 /nfs/dbraw/zinc/35/69/65/1283356965.db2.gz FGQJDLGBFLYDJJ-BETUJISGSA-N 2 0 358.450 0.475 20 0 FCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC001590376732 1283509781 /nfs/dbraw/zinc/50/97/81/1283509781.db2.gz LNPCGXJPODPRIL-SNVBAGLBSA-N 2 0 363.470 0.847 20 0 FCADRP C[NH+](CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1O)C1CCC1 ZINC001682504051 1283626827 /nfs/dbraw/zinc/62/68/27/1283626827.db2.gz XCKPXJXBGQKZCE-HZPDHXFCSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590732520 1283764959 /nfs/dbraw/zinc/76/49/59/1283764959.db2.gz BFNGSKIUJDVQHG-INIZCTEOSA-N 2 0 357.462 0.947 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683147243 1283873791 /nfs/dbraw/zinc/87/37/91/1283873791.db2.gz LLRRSCNALPTMLR-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)C[C@H]1C[NH+](C)C ZINC001591021025 1284076545 /nfs/dbraw/zinc/07/65/45/1284076545.db2.gz ADAYZUSZYOCVSV-HUUCEWRRSA-N 2 0 372.477 0.002 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071169 1284130516 /nfs/dbraw/zinc/13/05/16/1284130516.db2.gz PJUYGAOCMBBRBK-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001591078636 1284146093 /nfs/dbraw/zinc/14/60/93/1284146093.db2.gz PHWQZZOBGTXADT-UHFFFAOYSA-N 2 0 369.473 0.901 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CCc3cncn3C)C2)CC[N@@H+]1C ZINC001684239242 1284148883 /nfs/dbraw/zinc/14/88/83/1284148883.db2.gz YVVSCPBHTVFJSR-PNBKFKSVSA-N 2 0 361.490 0.704 20 0 FCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172511 1284254669 /nfs/dbraw/zinc/25/46/69/1284254669.db2.gz VSKGQOSECJRCIV-SJORKVTESA-N 2 0 369.473 0.851 20 0 FCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172498 1284255406 /nfs/dbraw/zinc/25/54/06/1284255406.db2.gz VRPGTNCQSCPSMC-CVEARBPZSA-N 2 0 369.473 0.851 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176718 1284269523 /nfs/dbraw/zinc/26/95/23/1284269523.db2.gz UCQCEAGGSAQTKG-FOSCPCJNSA-N 2 0 369.473 0.971 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001591178491 1284277606 /nfs/dbraw/zinc/27/76/06/1284277606.db2.gz KJALGNNSXRXJBK-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187355 1284297533 /nfs/dbraw/zinc/29/75/33/1284297533.db2.gz QRBAMLPZLIMXFE-XQJDBVBESA-N 2 0 361.475 0.784 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001591186612 1284298965 /nfs/dbraw/zinc/29/89/65/1284298965.db2.gz VPFRXFMDBUYEGL-XEZPLFJOSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187536 1284301957 /nfs/dbraw/zinc/30/19/57/1284301957.db2.gz YFDLOCFGRINKFH-WOMSROEHSA-N 2 0 373.436 0.862 20 0 FCADRP C[NH2+]CCCC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591218656 1284356801 /nfs/dbraw/zinc/35/68/01/1284356801.db2.gz XQEFYFWNYIBNIE-UHFFFAOYSA-N 2 0 357.462 0.947 20 0 FCADRP Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC001591846961 1284946731 /nfs/dbraw/zinc/94/67/31/1284946731.db2.gz NJXHGQRTHHFOHF-MRXNPFEDSA-N 2 0 369.473 0.880 20 0 FCADRP Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC001591846960 1284947661 /nfs/dbraw/zinc/94/76/61/1284947661.db2.gz NJXHGQRTHHFOHF-INIZCTEOSA-N 2 0 369.473 0.880 20 0 FCADRP Cc1cc(N2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000834 1285051264 /nfs/dbraw/zinc/05/12/64/1285051264.db2.gz ZKSSVTCZCIWQEE-SCLBCKFNSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592006566 1285056929 /nfs/dbraw/zinc/05/69/29/1285056929.db2.gz SBTRKVYLPYKALA-AWEZNQCLSA-N 2 0 356.434 0.313 20 0 FCADRP Cc1cc(NC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046703 1285087546 /nfs/dbraw/zinc/08/75/46/1285087546.db2.gz MQAIHNBFRFCELI-VQTKUKTRSA-N 2 0 370.461 0.418 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1-c1nn[nH]n1 ZINC001592154858 1285160728 /nfs/dbraw/zinc/16/07/28/1285160728.db2.gz MBQJGDUAGFYOEQ-OAHLLOKOSA-N 2 0 357.462 0.995 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)[NH+](C)C ZINC001702412734 1285653094 /nfs/dbraw/zinc/65/30/94/1285653094.db2.gz MCIDUAIUBORODR-ZACQAIPSSA-N 2 0 364.534 0.974 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001592865152 1285771997 /nfs/dbraw/zinc/77/19/97/1285771997.db2.gz INRXOKDEXSTZAI-GASCZTMLSA-N 2 0 355.446 0.699 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038323 1285922375 /nfs/dbraw/zinc/92/23/75/1285922375.db2.gz RYXJVJLESTZUPS-DOTOQJQBSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037389 1285922846 /nfs/dbraw/zinc/92/28/46/1285922846.db2.gz DIQCOOXLQZKURD-PBHICJAKSA-N 2 0 369.473 0.947 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)(N2CCOCC2)CC1 ZINC001609283454 1289046430 /nfs/dbraw/zinc/04/64/30/1289046430.db2.gz ZNTJYKWOWATGSX-UHFFFAOYSA-N 2 0 371.489 0.753 20 0 FCADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284581 1289048149 /nfs/dbraw/zinc/04/81/49/1289048149.db2.gz UXILANTZKMGYKJ-GDBMZVCRSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C2CC2)CC[N@@H+]1C ZINC001703848043 1286153461 /nfs/dbraw/zinc/15/34/61/1286153461.db2.gz PQQXLMVDOYSTLJ-OIISXLGYSA-N 2 0 362.518 0.966 20 0 FCADRP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001593512340 1286189497 /nfs/dbraw/zinc/18/94/97/1286189497.db2.gz UVJYHFMWUWQQRH-JKSUJKDBSA-N 2 0 372.473 0.928 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001604865741 1287804515 /nfs/dbraw/zinc/80/45/15/1287804515.db2.gz KEOWPNQLPSHZMG-SFHVURJKSA-N 2 0 371.489 0.612 20 0 FCADRP CO[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001719239070 1287926779 /nfs/dbraw/zinc/92/67/79/1287926779.db2.gz OATPKBOUCXBZLP-INMHGKMJSA-N 2 0 365.478 0.120 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719244011 1287936898 /nfs/dbraw/zinc/93/68/98/1287936898.db2.gz PPZGOIABYLLPQW-BZUAXINKSA-N 2 0 354.495 0.155 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687726 1288050949 /nfs/dbraw/zinc/05/09/49/1288050949.db2.gz XQVJTZNMXVVAMF-CQSZACIVSA-N 2 0 372.477 0.949 20 0 FCADRP Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605723032 1288061474 /nfs/dbraw/zinc/06/14/74/1288061474.db2.gz GICUDAGDTFDTRS-UHFFFAOYSA-N 2 0 358.450 0.396 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605739319 1288068388 /nfs/dbraw/zinc/06/83/88/1288068388.db2.gz VXNSSZJGJBPXGX-CQSZACIVSA-N 2 0 370.461 0.491 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001723718445 1288427291 /nfs/dbraw/zinc/42/72/91/1288427291.db2.gz JHZFXBCOIHUYGL-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@H](C)C3)CCC2)CC[N@@H+]1C ZINC001724786355 1288449877 /nfs/dbraw/zinc/44/98/77/1288449877.db2.gz PITCFPVGWUBIED-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001731443834 1288557195 /nfs/dbraw/zinc/55/71/95/1288557195.db2.gz HLUSMPDNNLECSM-KCYZZUKISA-N 2 0 362.474 0.815 20 0 FCADRP OC[C@H]([NH2+]Cc1cc(C[NH2+][C@@H](CO)C2CC2)cc(-c2nn[nH]n2)c1)C1CC1 ZINC001607103076 1288663227 /nfs/dbraw/zinc/66/32/27/1288663227.db2.gz MOSCMWWXSPFBQV-ROUUACIJSA-N 2 0 372.473 0.588 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609228312 1289000339 /nfs/dbraw/zinc/00/03/39/1289000339.db2.gz LWRPEIZALJIMOG-QGZVFWFLSA-N 2 0 373.505 0.906 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)nc1=O ZINC001691903940 1289338199 /nfs/dbraw/zinc/33/81/99/1289338199.db2.gz MNJNWAXKKOQCML-UONOGXRCSA-N 2 0 364.494 0.357 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001691948157 1289348973 /nfs/dbraw/zinc/34/89/73/1289348973.db2.gz QOBKCECYLDROID-ARFHVFGLSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCCCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001692159040 1289410561 /nfs/dbraw/zinc/41/05/61/1289410561.db2.gz FQBJSWFRCFFGSI-OAGGEKHMSA-N 2 0 366.506 0.740 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001692182582 1289420598 /nfs/dbraw/zinc/42/05/98/1289420598.db2.gz JOMYSACWZXSXLF-OKZBNKHCSA-N 2 0 362.518 0.824 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001692287011 1289444866 /nfs/dbraw/zinc/44/48/66/1289444866.db2.gz XSJNDJGYKRLJCT-CVEARBPZSA-N 2 0 366.506 0.014 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692291317 1289445557 /nfs/dbraw/zinc/44/55/57/1289445557.db2.gz BPTVNFAVPGPILL-ZACQAIPSSA-N 2 0 350.507 0.587 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(=O)NC)CCCC2)CC[N@@H+]1C ZINC001698797460 1289535892 /nfs/dbraw/zinc/53/58/92/1289535892.db2.gz ARSKAORIDPEVGL-UONOGXRCSA-N 2 0 367.494 0.191 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCNC(=O)NC(C)(C)C)CC2)CC[N@@H+]1C ZINC001699651854 1289560818 /nfs/dbraw/zinc/56/08/18/1289560818.db2.gz SSRSKUXTKUWYJI-ZIAGYGMSSA-N 2 0 353.511 0.663 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699813644 1289566965 /nfs/dbraw/zinc/56/69/65/1289566965.db2.gz MUTYVNXCABSXTL-KYJSFNMBSA-N 2 0 354.495 0.060 20 0 FCADRP Cc1nn(CCO)c(C)c1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001620970810 1290024673 /nfs/dbraw/zinc/02/46/73/1290024673.db2.gz UUTOVVYAEXXYQJ-UHFFFAOYSA-N 2 0 365.522 0.378 20 0 FCADRP C[N@H+](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525485 1290673630 /nfs/dbraw/zinc/67/36/30/1290673630.db2.gz QMMTZGXNHZYSKN-XDNAFOTISA-N 2 0 353.507 0.716 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001757478496 1290775307 /nfs/dbraw/zinc/77/53/07/1290775307.db2.gz QSRQIQKYLXNDEI-SJORKVTESA-N 2 0 350.507 0.587 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001666552239 1291913565 /nfs/dbraw/zinc/91/35/65/1291913565.db2.gz DBAMGUHWRLNJNF-YNEHKIRRSA-N 2 0 366.428 0.689 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001686784561 1292956973 /nfs/dbraw/zinc/95/69/73/1292956973.db2.gz PPOUXCMNCLHKAX-UHFFFAOYSA-N 2 0 367.538 0.424 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001688875932 1294542556 /nfs/dbraw/zinc/54/25/56/1294542556.db2.gz IWLWVTNRMKZHGG-HRCADAONSA-N 2 0 352.523 0.927 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001688985189 1294560960 /nfs/dbraw/zinc/56/09/60/1294560960.db2.gz UNHJLTVELVKXIS-RRFJBIMHSA-N 2 0 364.494 0.357 20 0 FCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001689135102 1294622855 /nfs/dbraw/zinc/62/28/55/1294622855.db2.gz WHAJKABFIAMOAC-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001689321372 1294746074 /nfs/dbraw/zinc/74/60/74/1294746074.db2.gz DVLZRICFZJQYCR-PBHICJAKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001689325269 1294751452 /nfs/dbraw/zinc/75/14/52/1294751452.db2.gz KFDYTDOSOHPALR-PBHICJAKSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001689349546 1294766329 /nfs/dbraw/zinc/76/63/29/1294766329.db2.gz JTDDWIWNXCMDMG-GWOVIKRFSA-N 2 0 366.506 0.226 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001690576742 1294873216 /nfs/dbraw/zinc/87/32/16/1294873216.db2.gz IEJXYQBLZXDSHW-HOSYDEDBSA-N 2 0 354.480 0.220 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001690623785 1294877364 /nfs/dbraw/zinc/87/73/64/1294877364.db2.gz WPQNNKHLYIGDQR-NXHRZFHOSA-N 2 0 360.502 0.904 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001690943871 1294894422 /nfs/dbraw/zinc/89/44/22/1294894422.db2.gz XHKFBFVIGVZWQB-LSDHHAIUSA-N 2 0 365.526 0.749 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001691659528 1294907647 /nfs/dbraw/zinc/90/76/47/1294907647.db2.gz MFYXKVRSUSDTOC-HRCADAONSA-N 2 0 351.495 0.228 20 0 FCADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2)CC1 ZINC001164391250 718809869 /nfs/dbraw/zinc/80/98/69/718809869.db2.gz GPQUEANXZISKFK-UHFFFAOYSA-N 3 0 359.474 0.613 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164617856 719016279 /nfs/dbraw/zinc/01/62/79/719016279.db2.gz QFFVERLQITWLHP-JYJNAYRXSA-N 2 0 359.474 0.563 20 0 FCADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001164829478 720317772 /nfs/dbraw/zinc/31/77/72/720317772.db2.gz MQYLRVDYDIKGPT-ZWKOTPCHSA-N 2 0 370.501 0.991 20 0 FCADRP Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164739048 720626466 /nfs/dbraw/zinc/62/64/66/720626466.db2.gz DKKLSEDEHZKITB-LSDHHAIUSA-N 2 0 355.446 0.983 20 0 FCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@H]2C1 ZINC001164856660 720893375 /nfs/dbraw/zinc/89/33/75/720893375.db2.gz GDSNEAGJKANCFA-RDJZCZTQSA-N 2 0 361.490 0.645 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC001067536168 837465293 /nfs/dbraw/zinc/46/52/93/837465293.db2.gz OOJUDKVENDRDGF-GVDBMIGSSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001070007818 837595514 /nfs/dbraw/zinc/59/55/14/837595514.db2.gz BTHVOJIZNDOCNP-JONQDZQNSA-N 2 0 352.458 0.710 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071063191 837722486 /nfs/dbraw/zinc/72/24/86/837722486.db2.gz JAOJTZAVMABNGH-SCTDSRPQSA-N 2 0 353.507 0.839 20 0 FCADRP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605335 837778084 /nfs/dbraw/zinc/77/80/84/837778084.db2.gz IHBWLSHXTZMQDZ-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCCO2)CC[N@@H+]1C ZINC001073611372 837779562 /nfs/dbraw/zinc/77/95/62/837779562.db2.gz VJYGCHGLFFAEFD-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171513 844087840 /nfs/dbraw/zinc/08/78/40/844087840.db2.gz CRLVPSJZZNHTGT-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177286 844090296 /nfs/dbraw/zinc/09/02/96/844090296.db2.gz YMIDJFHXXRPAFR-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000388792062 836055536 /nfs/dbraw/zinc/05/55/36/836055536.db2.gz IOBXBPKEVBUMOF-QGZVFWFLSA-N 2 0 352.504 0.733 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397504818 836065488 /nfs/dbraw/zinc/06/54/88/836065488.db2.gz HZNHFFPZAFVFOU-KRWDZBQOSA-N 2 0 350.459 0.917 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCS(=O)(=O)CC1 ZINC000463194336 836075434 /nfs/dbraw/zinc/07/54/34/836075434.db2.gz YFGATKKJXDMQNP-KRWDZBQOSA-N 2 0 367.515 0.442 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267665 844126597 /nfs/dbraw/zinc/12/65/97/844126597.db2.gz ODPINDPSZTZQIE-AOIWGVFYSA-N 2 0 353.507 0.770 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290247 844136682 /nfs/dbraw/zinc/13/66/82/844136682.db2.gz HDXFRHNRMUUGPR-RYRKJORJSA-N 2 0 351.491 0.402 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344909 844153924 /nfs/dbraw/zinc/15/39/24/844153924.db2.gz KKEGFZIEICCLJN-APWZRJJASA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417439 844178993 /nfs/dbraw/zinc/17/89/93/844178993.db2.gz NURVZVMIACVKJK-CLCXKQKWSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443660 844187649 /nfs/dbraw/zinc/18/76/49/844187649.db2.gz NIYNLWCKUFKUPT-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061862227 836719254 /nfs/dbraw/zinc/71/92/54/836719254.db2.gz RCEKXBLLZKEWMC-HRCADAONSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)CC[N@@H+]1C ZINC001064255015 836792053 /nfs/dbraw/zinc/79/20/53/836792053.db2.gz TYJSPGHLBGDZLL-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483787 844205025 /nfs/dbraw/zinc/20/50/25/844205025.db2.gz HYGMLIGCCDVJHV-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065205454 836821395 /nfs/dbraw/zinc/82/13/95/836821395.db2.gz CUGMWYLSOICRSG-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2O)n1 ZINC001077014377 838216482 /nfs/dbraw/zinc/21/64/82/838216482.db2.gz SURASMBZSHQBON-HZPDHXFCSA-N 2 0 351.495 0.656 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983837 844360444 /nfs/dbraw/zinc/36/04/44/844360444.db2.gz NMGWGOSMNSKSIR-WCXIOVBPSA-N 2 0 352.523 0.927 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077129224 838755280 /nfs/dbraw/zinc/75/52/80/838755280.db2.gz ZPRXWSIMNPIUAZ-FGTMMUONSA-N 2 0 351.491 0.591 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077131533 838757445 /nfs/dbraw/zinc/75/74/45/838757445.db2.gz FDRDJHDDTRPZBU-KBAYOESNSA-N 2 0 353.507 0.980 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001077299457 838886727 /nfs/dbraw/zinc/88/67/27/838886727.db2.gz CKYGDVVUXKYOBO-ZACQAIPSSA-N 2 0 351.491 0.591 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440926 838968013 /nfs/dbraw/zinc/96/80/13/838968013.db2.gz XYHAGHHJVXKEQG-KZNAEPCWSA-N 2 0 351.491 0.449 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553165 839030681 /nfs/dbraw/zinc/03/06/81/839030681.db2.gz DKVRTOZFGOVNHT-RCCFBDPRSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051841 844398591 /nfs/dbraw/zinc/39/85/91/844398591.db2.gz PMBUJZXFDGKNTJ-OWCLPIDISA-N 2 0 371.547 0.590 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685351 839111812 /nfs/dbraw/zinc/11/18/12/839111812.db2.gz LZILYPAUQDNKRZ-BRWVUGGUSA-N 2 0 353.507 0.695 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077924174 839234521 /nfs/dbraw/zinc/23/45/21/839234521.db2.gz WOZQXZVLFOHEBZ-RCCFBDPRSA-N 2 0 353.507 0.837 20 0 FCADRP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288729 844458330 /nfs/dbraw/zinc/45/83/30/844458330.db2.gz RVHHTJLTLSJDPQ-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102294359 844459536 /nfs/dbraw/zinc/45/95/36/844459536.db2.gz UYPKGFDNESRMPX-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080142878 839672771 /nfs/dbraw/zinc/67/27/71/839672771.db2.gz MCWVGJPVJRADFW-HLLBOEOZSA-N 2 0 350.507 0.728 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080700011 839779916 /nfs/dbraw/zinc/77/99/16/839779916.db2.gz HXLHQMCBTJZDJE-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754810 839791553 /nfs/dbraw/zinc/79/15/53/839791553.db2.gz ZGZIBNAYFDCRBD-XYPHTWIQSA-N 2 0 350.507 0.809 20 0 FCADRP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686544 840000133 /nfs/dbraw/zinc/00/01/33/840000133.db2.gz ZFLCHVGJDCOELT-USXIJHARSA-N 2 0 351.495 0.920 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433722 844497071 /nfs/dbraw/zinc/49/70/71/844497071.db2.gz DKRVFNWDLYAHFG-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202313 840235514 /nfs/dbraw/zinc/23/55/14/840235514.db2.gz REBLZRIXYRJMNU-RCCFBDPRSA-N 2 0 353.507 0.960 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495873 844529646 /nfs/dbraw/zinc/52/96/46/844529646.db2.gz RDWCGIZBNUIZMU-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2OC)o1 ZINC001082392366 840384242 /nfs/dbraw/zinc/38/42/42/840384242.db2.gz FISGQDBCYMPUFS-YSVLISHTSA-N 2 0 353.463 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082450061 840416901 /nfs/dbraw/zinc/41/69/01/840416901.db2.gz UPGGKDPLVMMOFK-FVQBIDKESA-N 2 0 357.520 0.342 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520473 840446858 /nfs/dbraw/zinc/44/68/58/840446858.db2.gz ZAZXDJTZBWUDCT-DTZQCDIJSA-N 2 0 366.531 0.995 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515293 844545874 /nfs/dbraw/zinc/54/58/74/844545874.db2.gz NBIDYULHQLRCBC-RBSFLKMASA-N 2 0 350.463 0.453 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559813 840464777 /nfs/dbraw/zinc/46/47/77/840464777.db2.gz PVMLUHSQHQFYQJ-WQVCFCJDSA-N 2 0 366.531 0.995 20 0 FCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001082561636 840466326 /nfs/dbraw/zinc/46/63/26/840466326.db2.gz GQGGXPLETHIBMY-HYVNUMGLSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082681867 840522710 /nfs/dbraw/zinc/52/27/10/840522710.db2.gz ZDWAPUYZIOROIC-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082863253 840587888 /nfs/dbraw/zinc/58/78/88/840587888.db2.gz WQHMMQTUKPDYTJ-OWCLPIDISA-N 2 0 369.531 0.344 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001082921603 840603649 /nfs/dbraw/zinc/60/36/49/840603649.db2.gz WTPXOLIFEVQCML-UKRRQHHQSA-N 2 0 352.504 0.751 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579221 844572633 /nfs/dbraw/zinc/57/26/33/844572633.db2.gz NXKFJJVMVMZJGH-KZNAEPCWSA-N 2 0 353.507 0.962 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001083192905 840786507 /nfs/dbraw/zinc/78/65/07/840786507.db2.gz ULDQZLIPKZPSGU-RYQLBKOJSA-N 2 0 351.491 0.809 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235123 840819192 /nfs/dbraw/zinc/81/91/92/840819192.db2.gz OCMHJZRHENCWQI-BHYGNILZSA-N 2 0 355.479 0.044 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083274822 840856500 /nfs/dbraw/zinc/85/65/00/840856500.db2.gz AZZIGPWKLJIKFJ-IXDOHACOSA-N 2 0 351.491 0.809 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719446 841351741 /nfs/dbraw/zinc/35/17/41/841351741.db2.gz DKVRTOZFGOVNHT-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778633 841424890 /nfs/dbraw/zinc/42/48/90/841424890.db2.gz SJCZNMMUZBEJQS-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083833669 841479015 /nfs/dbraw/zinc/47/90/15/841479015.db2.gz OVXZLPGUFYDEKQ-MSOLQXFVSA-N 2 0 353.507 0.696 20 0 FCADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450710 841796996 /nfs/dbraw/zinc/79/69/96/841796996.db2.gz VDFDGVDMXRYXFW-BRWVUGGUSA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275880149 861247812 /nfs/dbraw/zinc/24/78/12/861247812.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 2 0 352.523 0.441 20 0 FCADRP COC(CN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881233 861247932 /nfs/dbraw/zinc/24/79/32/861247932.db2.gz YIUZQTQWIJMQJO-CRAIPNDOSA-N 2 0 355.479 0.250 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)CC[N@@H+]1C ZINC001084944829 841964234 /nfs/dbraw/zinc/96/42/34/841964234.db2.gz PVOOXNPYJYINAF-TWMKSMIVSA-N 2 0 350.507 0.728 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067045 842005161 /nfs/dbraw/zinc/00/51/61/842005161.db2.gz JWYPVYFKRBMSMO-WBVHZDCISA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085152667 842029128 /nfs/dbraw/zinc/02/91/28/842029128.db2.gz MXNDRLJFHPBTRG-RBSFLKMASA-N 2 0 350.463 0.247 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085393948 842092888 /nfs/dbraw/zinc/09/28/88/842092888.db2.gz PEUAWPJFYIDOQS-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086371334 842128135 /nfs/dbraw/zinc/12/81/35/842128135.db2.gz CHYDVPVEZDGIGI-WRQOLXDDSA-N 2 0 371.547 0.636 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001086371313 842128533 /nfs/dbraw/zinc/12/85/33/842128533.db2.gz AYABSCZETKNQBD-YIDVYQOGSA-N 2 0 357.520 0.246 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087034588 842231107 /nfs/dbraw/zinc/23/11/07/842231107.db2.gz MRABHRHGJZXMKO-FGTMMUONSA-N 2 0 353.507 0.960 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087035095 842232421 /nfs/dbraw/zinc/23/24/21/842232421.db2.gz LFQYXHDWJMIHAY-MGPQQGTHSA-N 2 0 353.492 0.585 20 0 FCADRP CCO[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]C(C)C ZINC001087054939 842251186 /nfs/dbraw/zinc/25/11/86/842251186.db2.gz LSHWFCDVPAWBBR-NVXWUHKLSA-N 2 0 351.495 0.920 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059461 842254948 /nfs/dbraw/zinc/25/49/48/842254948.db2.gz HCWBJVWHUBEMKA-LZLYRXPVSA-N 2 0 353.507 0.960 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059460 842255259 /nfs/dbraw/zinc/25/52/59/842255259.db2.gz HCWBJVWHUBEMKA-JFIYKMOQSA-N 2 0 353.507 0.960 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087059753 842255294 /nfs/dbraw/zinc/25/52/94/842255294.db2.gz SYAFLJVZVNCUAL-OIISXLGYSA-N 2 0 350.463 0.968 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087062943 842259843 /nfs/dbraw/zinc/25/98/43/842259843.db2.gz BNCIPUUIMLZVCZ-QLFBSQMISA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087080066 842274705 /nfs/dbraw/zinc/27/47/05/842274705.db2.gz SPRQDXMSDHNVCS-GDBMZVCRSA-N 2 0 367.519 0.833 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087084571 842277988 /nfs/dbraw/zinc/27/79/88/842277988.db2.gz IZJLDSVEKIQAJR-VNQPRFMTSA-N 2 0 352.483 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087096909 842286463 /nfs/dbraw/zinc/28/64/63/842286463.db2.gz KORYIHHCNMTULR-UKRRQHHQSA-N 2 0 365.503 0.587 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087100397 842289297 /nfs/dbraw/zinc/28/92/97/842289297.db2.gz RDLRUKDHMMVPPO-ARFHVFGLSA-N 2 0 350.463 0.888 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087245923 842323964 /nfs/dbraw/zinc/32/39/64/842323964.db2.gz QOISKXOCZZFTKX-QLFBSQMISA-N 2 0 350.463 0.104 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001087711957 842411337 /nfs/dbraw/zinc/41/13/37/842411337.db2.gz IBCFGOIEPMLOQJ-JKSUJKDBSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087749931 842421745 /nfs/dbraw/zinc/42/17/45/842421745.db2.gz INRMGKZDRXZVDE-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088003120 842497952 /nfs/dbraw/zinc/49/79/52/842497952.db2.gz KLDQPVMENAPQSO-VKJFTORMSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130190 842538462 /nfs/dbraw/zinc/53/84/62/842538462.db2.gz AEIILDJCFUNORX-IKGGRYGDSA-N 2 0 350.507 0.763 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088605647 842625938 /nfs/dbraw/zinc/62/59/38/842625938.db2.gz ZKUHIXHMKOSMGP-PMPSAXMXSA-N 2 0 351.495 0.465 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001091039126 842936946 /nfs/dbraw/zinc/93/69/46/842936946.db2.gz NSYANTALYHTHAG-SSHXOBKSSA-N 2 0 351.495 0.226 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780714 843093062 /nfs/dbraw/zinc/09/30/62/843093062.db2.gz XNZMWRXKQCVHPI-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975760 843131938 /nfs/dbraw/zinc/13/19/38/843131938.db2.gz WWHKOWKSWLWVMF-OGWOLHLISA-N 2 0 350.507 0.585 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975759 843132380 /nfs/dbraw/zinc/13/23/80/843132380.db2.gz WWHKOWKSWLWVMF-GMBSWORKSA-N 2 0 350.507 0.585 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302311 843182485 /nfs/dbraw/zinc/18/24/85/843182485.db2.gz YEQIDYQVMAHFDK-GJYPPUQNSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302312 843182613 /nfs/dbraw/zinc/18/26/13/843182613.db2.gz YEQIDYQVMAHFDK-MDZRGWNJSA-N 2 0 350.507 0.907 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650573 843265840 /nfs/dbraw/zinc/26/58/40/843265840.db2.gz FJEXOCPFKZMLHW-TZMCWYRMSA-N 2 0 352.504 0.853 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658457 843268704 /nfs/dbraw/zinc/26/87/04/843268704.db2.gz VWOQABCEGFPQLA-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP COCCC[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276315815 861409102 /nfs/dbraw/zinc/40/91/02/861409102.db2.gz NICZKSFNHVSNAP-LJQANCHMSA-N 2 0 352.523 0.727 20 0 FCADRP COCCC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276316146 861408741 /nfs/dbraw/zinc/40/87/41/861408741.db2.gz RSFHTZNOWAKUBW-IBGZPJMESA-N 2 0 352.523 0.585 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001093093391 843387388 /nfs/dbraw/zinc/38/73/88/843387388.db2.gz GAQPRTHWNGJLOB-NVXWUHKLSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194924 843404625 /nfs/dbraw/zinc/40/46/25/843404625.db2.gz GOSVFTMUMRWFQJ-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093280809 843419887 /nfs/dbraw/zinc/41/98/87/843419887.db2.gz LNXWETZHKJQLME-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093280273 843420147 /nfs/dbraw/zinc/42/01/47/843420147.db2.gz MRYJNRFULMOQEL-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093285168 843420567 /nfs/dbraw/zinc/42/05/67/843420567.db2.gz NDHRCUOFAWOVFJ-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451295 843435293 /nfs/dbraw/zinc/43/52/93/843435293.db2.gz SNJDBZAYLIXDJI-PSBWJHGTSA-N 2 0 353.507 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093820873 843475508 /nfs/dbraw/zinc/47/55/08/843475508.db2.gz PMQZDXIMTAKUAB-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1)[NH+](C)C ZINC001093859299 843479574 /nfs/dbraw/zinc/47/95/74/843479574.db2.gz SCZKNOVVGWSWPJ-RBSFLKMASA-N 2 0 351.499 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001094137823 843521762 /nfs/dbraw/zinc/52/17/62/843521762.db2.gz YMTKXHRHFXBOMS-ZIAGYGMSSA-N 2 0 367.519 0.833 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276438381 861450461 /nfs/dbraw/zinc/45/04/61/861450461.db2.gz SBPKHXDPPNLLLA-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103060533 844694041 /nfs/dbraw/zinc/69/40/41/844694041.db2.gz RFRZXOPQGDHBET-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C)[NH+](C)C ZINC001103111628 844703072 /nfs/dbraw/zinc/70/30/72/844703072.db2.gz FKUXHSGEMNJKMY-INMHGKMJSA-N 2 0 350.511 0.976 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185652 844718721 /nfs/dbraw/zinc/71/87/21/844718721.db2.gz JCWKZVZDSFGOPT-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)[NH+](C)C ZINC001103408527 844751759 /nfs/dbraw/zinc/75/17/59/844751759.db2.gz GMBZKGQULZVMED-BRWVUGGUSA-N 2 0 350.511 0.939 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438669 844759324 /nfs/dbraw/zinc/75/93/24/844759324.db2.gz VTZDEXFLQUQRKO-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCCN(CCC[NH+](C)C)C2)C1=O ZINC001276609154 861495805 /nfs/dbraw/zinc/49/58/05/861495805.db2.gz HMPSEODRDKHDFI-GOSISDBHSA-N 2 0 352.479 0.304 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103612849 844787105 /nfs/dbraw/zinc/78/71/05/844787105.db2.gz XRBGVXAJUMHHJP-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642266 844793784 /nfs/dbraw/zinc/79/37/84/844793784.db2.gz XHKYSXFRWULXHQ-HZPDHXFCSA-N 2 0 351.495 0.573 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103663573 844797773 /nfs/dbraw/zinc/79/77/73/844797773.db2.gz IEAHWZMUFAWAME-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202664 844876913 /nfs/dbraw/zinc/87/69/13/844876913.db2.gz KKTOQAWNEMKVJK-DJIMGWMZSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001104209725 844877335 /nfs/dbraw/zinc/87/73/35/844877335.db2.gz OYVAKLPLKLFVEY-BZUAXINKSA-N 2 0 351.495 0.513 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104311162 844893543 /nfs/dbraw/zinc/89/35/43/844893543.db2.gz VHGOPUNWTOPNFE-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104353794 844896736 /nfs/dbraw/zinc/89/67/36/844896736.db2.gz IFXRZYLGOBLTQB-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376343 844903656 /nfs/dbraw/zinc/90/36/56/844903656.db2.gz ALXCQALEKLBYND-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104385481 844905266 /nfs/dbraw/zinc/90/52/66/844905266.db2.gz XUJFLSCGMPBPDO-HZPDHXFCSA-N 2 0 371.547 0.734 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385488 844905749 /nfs/dbraw/zinc/90/57/49/844905749.db2.gz YAHQAXMIHQDIOA-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCCO ZINC001104433508 844911383 /nfs/dbraw/zinc/91/13/83/844911383.db2.gz HMLAHILRAKOMQZ-QCZOYZIOSA-N 2 0 351.491 0.306 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)C1 ZINC001104573322 844922339 /nfs/dbraw/zinc/92/23/39/844922339.db2.gz RDNADXJORASBDF-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104593512 844922820 /nfs/dbraw/zinc/92/28/20/844922820.db2.gz BKLULUBSNAKBIM-ZIAGYGMSSA-N 2 0 350.463 0.775 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104595442 844923190 /nfs/dbraw/zinc/92/31/90/844923190.db2.gz SNQMAQKEXVTCPR-MGPQQGTHSA-N 2 0 350.463 0.903 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595348 844923026 /nfs/dbraw/zinc/92/30/26/844923026.db2.gz QQABKHUSUOIPJX-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104682957 844932611 /nfs/dbraw/zinc/93/26/11/844932611.db2.gz DKLPVEDLVHSBJY-IAGOWNOFSA-N 2 0 355.523 0.801 20 0 FCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104681010 844932653 /nfs/dbraw/zinc/93/26/53/844932653.db2.gz BFPWGNCKPNHUAF-LBTNJELSSA-N 2 0 356.486 0.758 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104681008 844932848 /nfs/dbraw/zinc/93/28/48/844932848.db2.gz BFPWGNCKPNHUAF-HBUWYVDXSA-N 2 0 356.486 0.758 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908056 844958355 /nfs/dbraw/zinc/95/83/55/844958355.db2.gz GYEOJSWXJRFYAT-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001105014363 844969024 /nfs/dbraw/zinc/96/90/24/844969024.db2.gz LVYDKEPVYUHQCR-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001105014460 844969060 /nfs/dbraw/zinc/96/90/60/844969060.db2.gz QTIDHTGVTAIYRO-NVXWUHKLSA-N 2 0 350.507 0.683 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105666913 845013692 /nfs/dbraw/zinc/01/36/92/845013692.db2.gz LBGFUPWASQLBBA-PSBWJHGTSA-N 2 0 355.523 0.677 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105669912 845016120 /nfs/dbraw/zinc/01/61/20/845016120.db2.gz WMLFBHLWWJJSCH-FPAYPSAMSA-N 2 0 355.523 0.677 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942088 845063879 /nfs/dbraw/zinc/06/38/79/845063879.db2.gz XTGOOZMXMNKQJL-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001105945845 845065097 /nfs/dbraw/zinc/06/50/97/845065097.db2.gz GMQOOASUIFBJNU-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106112227 845102087 /nfs/dbraw/zinc/10/20/87/845102087.db2.gz YVPBACWQTKIFBE-INMHGKMJSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106112276 845102490 /nfs/dbraw/zinc/10/24/90/845102490.db2.gz IPNZHKVOVOSIAD-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142968 845113388 /nfs/dbraw/zinc/11/33/88/845113388.db2.gz HMCSMEJFOQYHIM-OIISXLGYSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106195817 845128871 /nfs/dbraw/zinc/12/88/71/845128871.db2.gz KOFCZCOZCIWEQB-MBNYWOFBSA-N 2 0 352.504 0.981 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106255680 845144467 /nfs/dbraw/zinc/14/44/67/845144467.db2.gz DVDMTDWMYDLDKB-QLFBSQMISA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)[NH+](C)C ZINC001106281934 845147135 /nfs/dbraw/zinc/14/71/35/845147135.db2.gz LVJQPWMOLXRVIB-NUJGCVRESA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106322106 845154178 /nfs/dbraw/zinc/15/41/78/845154178.db2.gz JTVJKBZCQBAIGE-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106378336 845167362 /nfs/dbraw/zinc/16/73/62/845167362.db2.gz MXGAJDKMGRPFBR-UKRRQHHQSA-N 2 0 364.471 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106574242 845197885 /nfs/dbraw/zinc/19/78/85/845197885.db2.gz CUSXDRAIJSPHGP-BFYDXBDKSA-N 2 0 350.507 0.953 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588013 845201442 /nfs/dbraw/zinc/20/14/42/845201442.db2.gz AGQXRCIIOWFPKG-BMFZPTHFSA-N 2 0 353.463 0.646 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106600250 845202869 /nfs/dbraw/zinc/20/28/69/845202869.db2.gz WHNSLSFDYQOBHM-ZIAGYGMSSA-N 2 0 351.451 0.639 20 0 FCADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)C1=O ZINC001106594639 845203036 /nfs/dbraw/zinc/20/30/36/845203036.db2.gz YGMNXDDBBUOGOM-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)no1 ZINC001106622938 845206830 /nfs/dbraw/zinc/20/68/30/845206830.db2.gz YUSLFRCXEHTEDG-TZMCWYRMSA-N 2 0 351.451 0.557 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)s1 ZINC001106626951 845208800 /nfs/dbraw/zinc/20/88/00/845208800.db2.gz OXHYMZIBUSLCHR-DGCLKSJQSA-N 2 0 368.507 0.421 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001106628699 845209693 /nfs/dbraw/zinc/20/96/93/845209693.db2.gz ROHWYOQKSXIKMU-CHWSQXEVSA-N 2 0 366.428 0.643 20 0 FCADRP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106751272 845241329 /nfs/dbraw/zinc/24/13/29/845241329.db2.gz CHOPQAOIEFWPIZ-OWCLPIDISA-N 2 0 351.495 0.777 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106839386 845264014 /nfs/dbraw/zinc/26/40/14/845264014.db2.gz FKLSHLKAWAXCHL-BFYDXBDKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106874663 845275959 /nfs/dbraw/zinc/27/59/59/845275959.db2.gz ORVNIQKBDMVLRS-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874777 845276027 /nfs/dbraw/zinc/27/60/27/845276027.db2.gz SKKLEFLDQFNFAT-IXDOHACOSA-N 2 0 352.523 0.879 20 0 FCADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874832 845276397 /nfs/dbraw/zinc/27/63/97/845276397.db2.gz UZBXISFNTBNJRT-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878661 845277634 /nfs/dbraw/zinc/27/76/34/845277634.db2.gz VZNPSWQHWTYHSE-HUUCEWRRSA-N 2 0 352.483 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106881836 845278452 /nfs/dbraw/zinc/27/84/52/845278452.db2.gz LVGPRVICICEVEZ-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106981699 845300210 /nfs/dbraw/zinc/30/02/10/845300210.db2.gz ZNNJQBPJEXFTRE-BZUAXINKSA-N 2 0 371.547 0.447 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521015 845390247 /nfs/dbraw/zinc/39/02/47/845390247.db2.gz HETURQLCXQXDJH-CRAIPNDOSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCCC1 ZINC001109289923 845616496 /nfs/dbraw/zinc/61/64/96/845616496.db2.gz ROMQJKFWCZVHOF-IKGGRYGDSA-N 2 0 353.507 0.981 20 0 FCADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654056 845705895 /nfs/dbraw/zinc/70/58/95/845705895.db2.gz UAGZARPEYJTVCO-PMPSAXMXSA-N 2 0 374.551 0.331 20 0 FCADRP COCCCN1C[C@@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276796061 861613499 /nfs/dbraw/zinc/61/34/99/861613499.db2.gz VDPZRUSDIVZLEF-QAPCUYQASA-N 2 0 357.495 0.075 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001111234003 846065817 /nfs/dbraw/zinc/06/58/17/846065817.db2.gz ZJZRJLSGHGEBTP-VQHPVUNQSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111766943 846196178 /nfs/dbraw/zinc/19/61/78/846196178.db2.gz JLAQVQWONFHJKF-BQFCYCMXSA-N 2 0 359.486 0.646 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2)[NH+](C)C ZINC001111788606 846205611 /nfs/dbraw/zinc/20/56/11/846205611.db2.gz HYXLVPOHTSUGNF-GMBSWORKSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2 ZINC001111861362 846235630 /nfs/dbraw/zinc/23/56/30/846235630.db2.gz JJLWPYJUFFPXKI-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938141 846267140 /nfs/dbraw/zinc/26/71/40/846267140.db2.gz MVUHDZKFIASESX-LPHOPBHVSA-N 2 0 351.491 0.716 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCCC1=O)C2 ZINC001111949837 846272370 /nfs/dbraw/zinc/27/23/70/846272370.db2.gz WJMFYDOBLQLGPC-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCC(=O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276873932 861663519 /nfs/dbraw/zinc/66/35/19/861663519.db2.gz ZDCZPGMSESJYPS-LJQANCHMSA-N 2 0 350.507 0.527 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112123683 846401367 /nfs/dbraw/zinc/40/13/67/846401367.db2.gz VZMLSCATJOICEB-GRYCIOLGSA-N 2 0 366.428 0.960 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001112154583 846422529 /nfs/dbraw/zinc/42/25/29/846422529.db2.gz SJVAJJMNIYSLOF-CHWSQXEVSA-N 2 0 367.412 0.316 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112156087 846423151 /nfs/dbraw/zinc/42/31/51/846423151.db2.gz YQUHMDVTCKVUOX-JHJVBQTASA-N 2 0 366.428 0.784 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112182066 846441939 /nfs/dbraw/zinc/44/19/39/846441939.db2.gz MRCQUQWPZFZMDG-GRYCIOLGSA-N 2 0 352.401 0.571 20 0 FCADRP CC(=O)[C@H](C)N1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901314 861679808 /nfs/dbraw/zinc/67/98/08/861679808.db2.gz PLOVKPRWTPFTLM-LPHOPBHVSA-N 2 0 350.507 0.668 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112211965 846468288 /nfs/dbraw/zinc/46/82/88/846468288.db2.gz GFAANGRWDGMBOZ-JHJVBQTASA-N 2 0 366.428 0.782 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001112397043 846500965 /nfs/dbraw/zinc/50/09/65/846500965.db2.gz QEMSBIQDVSLZIF-RDJZCZTQSA-N 2 0 371.547 0.734 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001112399165 846500986 /nfs/dbraw/zinc/50/09/86/846500986.db2.gz FXKYBGBJTLYCLE-IEZWGBDMSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112444348 846505775 /nfs/dbraw/zinc/50/57/75/846505775.db2.gz QETSFKHTBYNADT-FCEWJHQRSA-N 2 0 350.507 0.810 20 0 FCADRP CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)C1=O ZINC001112523542 846514044 /nfs/dbraw/zinc/51/40/44/846514044.db2.gz ZQJMQXQUQCRWKY-BXWFABGCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112523230 846514127 /nfs/dbraw/zinc/51/41/27/846514127.db2.gz IPDAUOBYULPSSQ-YJBOKZPZSA-N 2 0 351.495 0.182 20 0 FCADRP C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001112540023 846518723 /nfs/dbraw/zinc/51/87/23/846518723.db2.gz BOVHXXXCMSYKOP-GJYPPUQNSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2)C(N)=O ZINC001112551862 846521743 /nfs/dbraw/zinc/52/17/43/846521743.db2.gz UCJGGOZMVHALHS-GJYPPUQNSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnns2)C1 ZINC001112563618 846525218 /nfs/dbraw/zinc/52/52/18/846525218.db2.gz FEJRQCCCTOXFFS-YOEHRIQHSA-N 2 0 367.519 0.835 20 0 FCADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563519 846525335 /nfs/dbraw/zinc/52/53/35/846525335.db2.gz ZGJXRTMSTGICEW-BXWFABGCSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnon2)C1 ZINC001112563667 846525512 /nfs/dbraw/zinc/52/55/12/846525512.db2.gz HHDGFKOEDKGITG-YOEHRIQHSA-N 2 0 351.451 0.366 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112567573 846526195 /nfs/dbraw/zinc/52/61/95/846526195.db2.gz XFWPJARSEHSXIG-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578172 846528846 /nfs/dbraw/zinc/52/88/46/846528846.db2.gz BISLYDJHNMTWGZ-LNLFQRSKSA-N 2 0 353.507 0.819 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578965 846529216 /nfs/dbraw/zinc/52/92/16/846529216.db2.gz PSCYXNCTSBJHDT-HKUYNNGSSA-N 2 0 353.507 0.964 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578749 846529274 /nfs/dbraw/zinc/52/92/74/846529274.db2.gz FQLSZWWCLHBTAG-LPHOPBHVSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](CO)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276973551 861718524 /nfs/dbraw/zinc/71/85/24/861718524.db2.gz DWZHSGVAISMMTK-HKUYNNGSSA-N 2 0 352.523 0.177 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001117972301 847236277 /nfs/dbraw/zinc/23/62/77/847236277.db2.gz SHADIKBDVSRDKE-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001118035908 847257279 /nfs/dbraw/zinc/25/72/79/847257279.db2.gz XCKRTFCJTDVEFN-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001118147572 847296386 /nfs/dbraw/zinc/29/63/86/847296386.db2.gz HQZMIZBONUTTOW-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001118175873 847311050 /nfs/dbraw/zinc/31/10/50/847311050.db2.gz DXINFRYIDZGUBD-KRWDZBQOSA-N 2 0 366.531 0.934 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304973 847808088 /nfs/dbraw/zinc/80/80/88/847808088.db2.gz XPKMJTHOWRPLJC-STQMWFEESA-N 2 0 364.412 0.669 20 0 FCADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001120575018 848248120 /nfs/dbraw/zinc/24/81/20/848248120.db2.gz VZHPSOFTRVCIHZ-SFHVURJKSA-N 2 0 358.527 0.879 20 0 FCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001120589557 848249160 /nfs/dbraw/zinc/24/91/60/848249160.db2.gz POQLCBLABXITEU-CRAIPNDOSA-N 2 0 369.531 0.739 20 0 FCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993646 848430675 /nfs/dbraw/zinc/43/06/75/848430675.db2.gz WYTPNWSFCSCYGI-TUUVXOQKSA-N 2 0 351.495 0.497 20 0 FCADRP C[C@@H](CCNC(=O)c1cc(Br)cn(CC[NH3+])c1=O)[NH+](C)C ZINC001122063645 848442882 /nfs/dbraw/zinc/44/28/82/848442882.db2.gz XXBWYBIHYVZNHO-JTQLQIEISA-N 2 0 359.268 0.640 20 0 FCADRP C[C@@H](CNC(=O)NCCN1CCC2(C1)OCCO2)[NH+]1CCC(C)CC1 ZINC001123713222 848628615 /nfs/dbraw/zinc/62/86/15/848628615.db2.gz HVPCEEMDIDKDIN-INIZCTEOSA-N 2 0 354.495 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccccc2F)CC[N@@H+]1C ZINC001127644117 848730866 /nfs/dbraw/zinc/73/08/66/848730866.db2.gz VLCCJUUGUIZTHI-UKRRQHHQSA-N 2 0 350.438 0.488 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001127707284 848734410 /nfs/dbraw/zinc/73/44/10/848734410.db2.gz YPDHWIRSYGALGR-MELADBBJSA-N 2 0 351.451 0.746 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CN(C/C=C\Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048430 848799472 /nfs/dbraw/zinc/79/94/72/848799472.db2.gz BXSFIIKRQAPILB-IDQBRBTGSA-N 2 0 352.870 0.856 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407436 848841635 /nfs/dbraw/zinc/84/16/35/848841635.db2.gz NHNDAYZVWRJWNC-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129849978 848902197 /nfs/dbraw/zinc/90/21/97/848902197.db2.gz GZJNMHWGSOAAMB-JSJMCTAYSA-N 2 0 364.881 0.714 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129896128 848910664 /nfs/dbraw/zinc/91/06/64/848910664.db2.gz RJBUAFFLNQGOMY-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009628 848930957 /nfs/dbraw/zinc/93/09/57/848930957.db2.gz YHNGLOLISYKAFI-XHSDSOJGSA-N 2 0 350.467 0.140 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130011910 848930982 /nfs/dbraw/zinc/93/09/82/848930982.db2.gz DWTKPXKFVHXDPN-CABCVRRESA-N 2 0 354.474 0.957 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130011942 848931157 /nfs/dbraw/zinc/93/11/57/848931157.db2.gz GEZBPKSZRFBMNX-XCIQPTNHSA-N 2 0 352.870 0.856 20 0 FCADRP CCCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086133 848942958 /nfs/dbraw/zinc/94/29/58/848942958.db2.gz MTVYBYCZBTYKSY-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130125671 848948471 /nfs/dbraw/zinc/94/84/71/848948471.db2.gz ZRXPOOKIDKLIOQ-OLZOCXBDSA-N 2 0 360.384 0.668 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1)OC ZINC001130137063 848950584 /nfs/dbraw/zinc/95/05/84/848950584.db2.gz HJRFQHHGISSGHU-OAGGEKHMSA-N 2 0 352.483 0.385 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001130238026 848984229 /nfs/dbraw/zinc/98/42/29/848984229.db2.gz POMLUZVDIIVTAA-IHRRRGAJSA-N 2 0 350.467 0.387 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001130251381 848988189 /nfs/dbraw/zinc/98/81/89/848988189.db2.gz QWLXUQDKWSMQTK-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131101369 849079190 /nfs/dbraw/zinc/07/91/90/849079190.db2.gz XVZIHWMPPWZFIS-ARFHVFGLSA-N 2 0 351.495 0.681 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131115167 849080656 /nfs/dbraw/zinc/08/06/56/849080656.db2.gz AXATZJJDBWCGQM-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001131594799 849128336 /nfs/dbraw/zinc/12/83/36/849128336.db2.gz FCFNEMZUEZKAHQ-SJORKVTESA-N 2 0 351.491 0.714 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)on1 ZINC001136542062 849226745 /nfs/dbraw/zinc/22/67/45/849226745.db2.gz VTEBBQANRWNCNS-CYBMUJFWSA-N 2 0 352.435 0.949 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1 ZINC001144943546 849540363 /nfs/dbraw/zinc/54/03/63/849540363.db2.gz WNFNSPBJZATSOX-LHHMISFZSA-N 2 0 351.447 0.406 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)cc1 ZINC001157323098 849963364 /nfs/dbraw/zinc/96/33/64/849963364.db2.gz MEXSWKCUHIOJMR-HOTGVXAUSA-N 2 0 350.463 0.315 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](COCc1ccccc1)[NH2+]C ZINC001157323779 849963480 /nfs/dbraw/zinc/96/34/80/849963480.db2.gz NMBUQKDSIMNLQJ-HOTGVXAUSA-N 2 0 350.463 0.151 20 0 FCADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157593826 849983578 /nfs/dbraw/zinc/98/35/78/849983578.db2.gz YRMRDOCVWVYGRL-SFHVURJKSA-N 2 0 351.539 0.461 20 0 FCADRP CNS(=O)(=O)c1ccc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)nc1 ZINC001157841639 849999855 /nfs/dbraw/zinc/99/98/55/849999855.db2.gz HTAUYRPCRXJRAE-UHFFFAOYSA-N 2 0 367.519 0.454 20 0 FCADRP CCS(=O)(=O)N(c1nccc(C2CC[NH2+]CC2)n1)C1CC[NH2+]CC1 ZINC001157896836 850002329 /nfs/dbraw/zinc/00/23/29/850002329.db2.gz PIGNFKJFKLDLKS-UHFFFAOYSA-N 2 0 353.492 0.852 20 0 FCADRP C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1F ZINC001157926310 850004824 /nfs/dbraw/zinc/00/48/24/850004824.db2.gz ORZGCOJHUGHEOD-SZOQZIPDSA-N 2 0 360.449 0.732 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191420 850023500 /nfs/dbraw/zinc/02/35/00/850023500.db2.gz PLVDQJVCHRYFNV-HPGRBHQUSA-N 2 0 352.479 0.070 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158216271 850026692 /nfs/dbraw/zinc/02/66/92/850026692.db2.gz WKTLAFSRMNSURU-LXFSFDBISA-N 2 0 356.536 0.561 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241053 850027447 /nfs/dbraw/zinc/02/74/47/850027447.db2.gz QJGIIQXRBAKSQN-QWRGUYRKSA-N 2 0 351.369 0.942 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158249376 850028284 /nfs/dbraw/zinc/02/82/84/850028284.db2.gz LYMHHEKKRRVOIQ-WDEREUQCSA-N 3 0 354.442 0.681 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001158379978 850041086 /nfs/dbraw/zinc/04/10/86/850041086.db2.gz IYEVTGJOZUZDHK-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379791 850041616 /nfs/dbraw/zinc/04/16/16/850041616.db2.gz HXCUTICVLJRYCF-ZIAGYGMSSA-N 2 0 350.467 0.401 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1([NH3+])CC(F)C1)C2 ZINC001158383420 850043411 /nfs/dbraw/zinc/04/34/11/850043411.db2.gz PIJYBXHDPKADKC-NOAYXOLRSA-N 2 0 367.343 0.359 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC001158385334 850044325 /nfs/dbraw/zinc/04/43/25/850044325.db2.gz WALVADAFGGJQGR-CQDKDKBSSA-N 2 0 363.380 0.672 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H]2CCN(C3CCC3)C2=O)CC[N@@H+]1C ZINC001158412601 850047227 /nfs/dbraw/zinc/04/72/27/850047227.db2.gz QQNKRZZLLYYMKP-YESZJQIVSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001158403388 850048119 /nfs/dbraw/zinc/04/81/19/850048119.db2.gz HUUQDKISABBFBP-QWHCGFSZSA-N 2 0 358.437 0.869 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158420883 850049275 /nfs/dbraw/zinc/04/92/75/850049275.db2.gz ACHNWVAYPVZNMJ-ZQNQSHIBSA-N 2 0 356.536 0.561 20 0 FCADRP C[NH+]1CCC(N(c2cc(S(N)(=O)=O)ccn2)C2CC[NH2+]CC2)CC1 ZINC001158589463 850061611 /nfs/dbraw/zinc/06/16/11/850061611.db2.gz RLMWEQIUWLNWAR-UHFFFAOYSA-N 2 0 353.492 0.382 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC001158692550 850068270 /nfs/dbraw/zinc/06/82/70/850068270.db2.gz GPRQHLOGUUSSTM-ZQDZILKHSA-N 2 0 351.451 0.774 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158858613 850081157 /nfs/dbraw/zinc/08/11/57/850081157.db2.gz ZCWLQOJNEZQQBT-ZDUSSCGKSA-N 3 0 354.524 0.154 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158890796 850083605 /nfs/dbraw/zinc/08/36/05/850083605.db2.gz NFZYPZUSPDKBFU-IFIJOSMWSA-N 3 0 351.426 0.141 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001159128665 850096692 /nfs/dbraw/zinc/09/66/92/850096692.db2.gz UOVPOLWJAXIFLT-UHFFFAOYSA-N 2 0 352.523 0.319 20 0 FCADRP CC(C)(C)N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160873 850098308 /nfs/dbraw/zinc/09/83/08/850098308.db2.gz UIDIAGCQVSFRFP-JKSUJKDBSA-N 3 0 352.523 0.852 20 0 FCADRP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160567 850098360 /nfs/dbraw/zinc/09/83/60/850098360.db2.gz LMEBJNOFSCOCNU-KHYOSLBOSA-N 2 0 350.507 0.476 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159480994 850117233 /nfs/dbraw/zinc/11/72/33/850117233.db2.gz GUGLCYKRIXUUKI-ZIFCJYIRSA-N 3 0 352.523 0.650 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001159481772 850117963 /nfs/dbraw/zinc/11/79/63/850117963.db2.gz VTCSPTSSGSVJDN-ZHALLVOQSA-N 2 0 351.491 0.572 20 0 FCADRP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001160148405 850155375 /nfs/dbraw/zinc/15/53/75/850155375.db2.gz SEWWYAVBMIVACC-UHFFFAOYSA-N 2 0 367.519 0.395 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201270 850159002 /nfs/dbraw/zinc/15/90/02/850159002.db2.gz FLGMUSMVZHJNBO-HOTGVXAUSA-N 2 0 350.507 0.988 20 0 FCADRP COCCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC001160441730 850174073 /nfs/dbraw/zinc/17/40/73/850174073.db2.gz WZQCUMSOSCMVJX-SJLPKXTDSA-N 2 0 352.523 0.630 20 0 FCADRP CCOC(=O)CN(Cc1ccsc1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160770816 850197132 /nfs/dbraw/zinc/19/71/32/850197132.db2.gz WQURXAIMHPHUKQ-RHSMWYFYSA-N 2 0 351.472 0.839 20 0 FCADRP CCOC(=O)CN(Cc1ccsc1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160769120 850197507 /nfs/dbraw/zinc/19/75/07/850197507.db2.gz ITQVLAMPLINSNA-HNNXBMFYSA-N 2 0 368.503 0.390 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001160915685 850213353 /nfs/dbraw/zinc/21/33/53/850213353.db2.gz JLJUHGDTFDGXKM-OAHLLOKOSA-N 2 0 353.854 0.827 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010964 850220201 /nfs/dbraw/zinc/22/02/01/850220201.db2.gz OPQXMDMGRWNWKI-ZDUSSCGKSA-N 2 0 350.444 0.089 20 0 FCADRP CCOC(=O)C1(CC)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161127859 850231159 /nfs/dbraw/zinc/23/11/59/850231159.db2.gz BITLXHIGBDRBEL-OAHLLOKOSA-N 2 0 354.495 0.319 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001161157306 850236533 /nfs/dbraw/zinc/23/65/33/850236533.db2.gz AWAAZPOFPAZKTE-HOTGVXAUSA-N 2 0 351.447 0.048 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001161248335 850242776 /nfs/dbraw/zinc/24/27/76/850242776.db2.gz YBSJJCFBBZEIDI-HNNXBMFYSA-N 2 0 365.503 0.818 20 0 FCADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C1 ZINC001161240277 850243341 /nfs/dbraw/zinc/24/33/41/850243341.db2.gz XSLJHTMWPNYTIA-SUMWQHHRSA-N 2 0 351.426 0.208 20 0 FCADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001161264203 850244143 /nfs/dbraw/zinc/24/41/43/850244143.db2.gz KUHSQZYKULRFNW-HNNXBMFYSA-N 2 0 362.540 0.412 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414663 850258520 /nfs/dbraw/zinc/25/85/20/850258520.db2.gz YIPPTFMLMGZFCW-QCNOEVLYSA-N 2 0 350.385 0.358 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444063 850260253 /nfs/dbraw/zinc/26/02/53/850260253.db2.gz BAWIIDPADPACBT-KZNAEPCWSA-N 3 0 351.539 0.203 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)CC2 ZINC001161481105 850261739 /nfs/dbraw/zinc/26/17/39/850261739.db2.gz WIVDASMLCXTUQD-BLTAXRJOSA-N 2 0 363.380 0.671 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1)CC2 ZINC001161481110 850263427 /nfs/dbraw/zinc/26/34/27/850263427.db2.gz WIVDASMLCXTUQD-YFCNSXCBSA-N 2 0 363.380 0.671 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161511480 850265812 /nfs/dbraw/zinc/26/58/12/850265812.db2.gz ZUGZCXCXGAGXHY-LSDHHAIUSA-N 2 0 351.472 0.442 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511148 850266281 /nfs/dbraw/zinc/26/62/81/850266281.db2.gz XHIPAELYBNTREY-SOUVJXGZSA-N 2 0 354.495 0.077 20 0 FCADRP CO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H](C)C1 ZINC001161534735 850269956 /nfs/dbraw/zinc/26/99/56/850269956.db2.gz REBWOVOJAHXSHH-WCVJEAGWSA-N 2 0 354.495 0.460 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550587 850270547 /nfs/dbraw/zinc/27/05/47/850270547.db2.gz MZMMKHMEIGFEOZ-IHRRRGAJSA-N 2 0 356.536 0.562 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601871 850273626 /nfs/dbraw/zinc/27/36/26/850273626.db2.gz MRFYJJIWBKKAPF-HRCADAONSA-N 2 0 354.470 0.132 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001162294828 850306455 /nfs/dbraw/zinc/30/64/55/850306455.db2.gz ZNETXEXBKMXOGB-UHFFFAOYSA-N 2 0 355.508 0.997 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001162725024 850327834 /nfs/dbraw/zinc/32/78/34/850327834.db2.gz IHSQRPOQPLBEBS-AWEZNQCLSA-N 2 0 350.467 0.429 20 0 FCADRP O=S(=O)(c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1)C1CC[NH2+]CC1 ZINC001163153611 850357914 /nfs/dbraw/zinc/35/79/14/850357914.db2.gz FPEPIPNNHNJDME-KSSFIOAISA-N 2 0 365.499 0.860 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833094 862121012 /nfs/dbraw/zinc/12/10/12/862121012.db2.gz BFNRBOUKOMTSTC-WMLDXEAASA-N 2 0 363.449 0.505 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001164578705 850417709 /nfs/dbraw/zinc/41/77/09/850417709.db2.gz NZPISNGBSIFAHP-ARFHVFGLSA-N 2 0 350.507 0.871 20 0 FCADRP Clc1nc2c(c(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n1)CC[NH2+]C2 ZINC001165311744 850434547 /nfs/dbraw/zinc/43/45/47/850434547.db2.gz FKCLAUBLMSVPTP-UHFFFAOYSA-N 2 0 360.853 0.466 20 0 FCADRP Clc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c2c(n1)C[NH2+]CC2 ZINC001165345104 850436112 /nfs/dbraw/zinc/43/61/12/850436112.db2.gz IAGVAVGYZGDPGT-QGZVFWFLSA-N 2 0 352.866 0.966 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(C[NH2+]CCOCC(F)F)CC2)O1 ZINC001165727872 850453868 /nfs/dbraw/zinc/45/38/68/850453868.db2.gz JCBVRWCNXXPHPH-ZIAGYGMSSA-N 2 0 363.449 0.863 20 0 FCADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168322656 850582900 /nfs/dbraw/zinc/58/29/00/850582900.db2.gz UTMDXHGEYRVHKI-JIZBTBOESA-N 2 0 353.507 0.912 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1 ZINC001168735501 850591501 /nfs/dbraw/zinc/59/15/01/850591501.db2.gz AOQKQDOZLMSCRV-UHFFFAOYSA-N 2 0 366.491 0.897 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863020 850669034 /nfs/dbraw/zinc/66/90/34/850669034.db2.gz TUCZIXJTPPWBJK-BFHYXJOUSA-N 2 0 355.483 0.047 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)O1 ZINC001171691789 850692984 /nfs/dbraw/zinc/69/29/84/850692984.db2.gz VMXYTEAZHKDBOT-BHPKHCPMSA-N 2 0 357.451 0.837 20 0 FCADRP COc1ccc(CN2CC[C@H]([NH2+]CCOCC[NH3+])CC2=O)c(OC)c1 ZINC001173023359 850717269 /nfs/dbraw/zinc/71/72/69/850717269.db2.gz CSORSVBMTLZBAM-HNNXBMFYSA-N 2 0 351.447 0.760 20 0 FCADRP CC[N@@H+]1CC[C@H](N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)C1 ZINC001173363423 850720498 /nfs/dbraw/zinc/72/04/98/850720498.db2.gz XIMDSRSZYJILSF-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP CC[N@@H+]1CC[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C1 ZINC001173365209 850721803 /nfs/dbraw/zinc/72/18/03/850721803.db2.gz ZMOFBWFKRVEDFP-OWCLPIDISA-N 2 0 355.508 0.049 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173563911 850726019 /nfs/dbraw/zinc/72/60/19/850726019.db2.gz DFNBSGSHZPILHP-QDMKHBRRSA-N 2 0 355.479 0.343 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC001177338383 850840178 /nfs/dbraw/zinc/84/01/78/850840178.db2.gz QWYBRPSUFVUNCR-NSHDSACASA-N 2 0 352.464 0.560 20 0 FCADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001178521659 850904786 /nfs/dbraw/zinc/90/47/86/850904786.db2.gz AVOAMPRZXOZYOX-MGPQQGTHSA-N 2 0 355.483 0.176 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001178701483 850918437 /nfs/dbraw/zinc/91/84/37/850918437.db2.gz KSUNGGFEHOBFFL-INIZCTEOSA-N 2 0 366.487 0.417 20 0 FCADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730985 850921387 /nfs/dbraw/zinc/92/13/87/850921387.db2.gz IRDZXDFPGYFISA-QXSJWSMHSA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178750042 850925186 /nfs/dbraw/zinc/92/51/86/850925186.db2.gz SHLGOJJMIIVGRQ-NEPJUHHUSA-N 2 0 357.455 0.065 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001278102337 862188420 /nfs/dbraw/zinc/18/84/20/862188420.db2.gz XEXKQFJKZDKMGD-CQSZACIVSA-N 2 0 355.552 0.202 20 0 FCADRP NC(=O)C1CC[NH+](CCC(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001180613317 851053908 /nfs/dbraw/zinc/05/39/08/851053908.db2.gz OTVWNQHUZXJPDZ-SHTZXODSSA-N 2 0 352.479 0.071 20 0 FCADRP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)[NH+](C)C ZINC001180864427 851072690 /nfs/dbraw/zinc/07/26/90/851072690.db2.gz OZWCAGUVZSQCHO-YQVWRLOYSA-N 2 0 352.523 0.724 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001182676503 851190122 /nfs/dbraw/zinc/19/01/22/851190122.db2.gz LUXQWTXMTUNEMJ-IJLUTSLNSA-N 2 0 352.464 0.007 20 0 FCADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186372899 851428891 /nfs/dbraw/zinc/42/88/91/851428891.db2.gz FYLYUVAZUVXILQ-BRWVUGGUSA-N 2 0 353.507 0.818 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931631 851734714 /nfs/dbraw/zinc/73/47/14/851734714.db2.gz HPUDVIUUNGVPIS-XLAORIBOSA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188962802 851738291 /nfs/dbraw/zinc/73/82/91/851738291.db2.gz GJRZWXMCEJQGBD-RCCFBDPRSA-N 2 0 355.523 0.894 20 0 FCADRP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034217 851744488 /nfs/dbraw/zinc/74/44/88/851744488.db2.gz CCPJYGIUCUDPGO-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(OC)nn1 ZINC001189067808 851747490 /nfs/dbraw/zinc/74/74/90/851747490.db2.gz HLZRJLYFUKPRAA-UHFFFAOYSA-N 2 0 353.467 0.839 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669234 851813886 /nfs/dbraw/zinc/81/38/86/851813886.db2.gz UUCZTARSNBRDDL-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906150 851840835 /nfs/dbraw/zinc/84/08/35/851840835.db2.gz CHSDIEWDIFYLNB-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189941847 851847128 /nfs/dbraw/zinc/84/71/28/851847128.db2.gz FHHLONDGZKXWFQ-IVMMDQJWSA-N 2 0 368.503 0.474 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CCC1 ZINC001193766799 852485861 /nfs/dbraw/zinc/48/58/61/852485861.db2.gz XSTLVOSTYXPGDS-IXDOHACOSA-N 2 0 353.507 0.573 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)C1CC1 ZINC001193791024 852489596 /nfs/dbraw/zinc/48/95/96/852489596.db2.gz BATWVZRXVBTWBZ-KZNAEPCWSA-N 2 0 353.507 0.695 20 0 FCADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1)OC ZINC001194290247 852573175 /nfs/dbraw/zinc/57/31/75/852573175.db2.gz SHZGAXWXCGSGFO-GVDBMIGSSA-N 2 0 350.463 0.494 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194298341 852574194 /nfs/dbraw/zinc/57/41/94/852574194.db2.gz DTNDMEMYHGJSJX-USXIJHARSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc(S(C)(=O)=O)c1 ZINC001194686022 852630796 /nfs/dbraw/zinc/63/07/96/852630796.db2.gz ZLBBKFUTIGOISA-UHFFFAOYSA-N 2 0 370.519 0.831 20 0 FCADRP O=C(CCn1ccnc1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001195149009 852715050 /nfs/dbraw/zinc/71/50/50/852715050.db2.gz GVVQTZVKFLESEO-BRWVUGGUSA-N 2 0 350.463 0.376 20 0 FCADRP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001195290176 852736555 /nfs/dbraw/zinc/73/65/55/852736555.db2.gz UOKFYTRADIAHSW-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP CCOC(=O)CS(=O)(=O)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001195959263 852854934 /nfs/dbraw/zinc/85/49/34/852854934.db2.gz GBTZUDCTTTUMIY-UHFFFAOYSA-N 2 0 365.540 0.865 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252042 852925021 /nfs/dbraw/zinc/92/50/21/852925021.db2.gz QFRUTFNJUWACBE-BRWVUGGUSA-N 2 0 357.495 0.074 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001198698811 853303184 /nfs/dbraw/zinc/30/31/84/853303184.db2.gz FQZGOABECRKLNV-NWANDNLSSA-N 2 0 361.433 0.161 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001198699453 853304041 /nfs/dbraw/zinc/30/40/41/853304041.db2.gz RQPZBJHAZCMGLH-DJIMGWMZSA-N 2 0 367.515 0.420 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O ZINC001198699686 853305283 /nfs/dbraw/zinc/30/52/83/853305283.db2.gz WSZVZIVJURNOHF-KBAYOESNSA-N 2 0 353.507 0.696 20 0 FCADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199018227 853355198 /nfs/dbraw/zinc/35/51/98/853355198.db2.gz RVSMIXLTPVHKSC-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001199370010 853413240 /nfs/dbraw/zinc/41/32/40/853413240.db2.gz GXUMJDQEFPTIMN-KZNAEPCWSA-N 2 0 353.507 0.983 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)CC3CC3)CC2)CC[N@@H+]1C ZINC001200636755 853505821 /nfs/dbraw/zinc/50/58/21/853505821.db2.gz NMNZBGBPLZCEGW-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP COC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510989 853617981 /nfs/dbraw/zinc/61/79/81/853617981.db2.gz ROVDEWCVZUUGLZ-IXDOHACOSA-N 2 0 353.507 0.912 20 0 FCADRP CO[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510909 853618362 /nfs/dbraw/zinc/61/83/62/853618362.db2.gz OIAQNADUBKJLHK-IXDOHACOSA-N 2 0 353.507 0.912 20 0 FCADRP O=C(CO[C@H]1CO[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1)N1CCCC1 ZINC001207436603 853813251 /nfs/dbraw/zinc/81/32/51/853813251.db2.gz DXUJLOBDLPAYBB-MJGOQNOKSA-N 2 0 351.491 0.858 20 0 FCADRP O=C([C@@H]1COC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2)N1CCOCC1 ZINC001207437002 853813494 /nfs/dbraw/zinc/81/34/94/853813494.db2.gz NDEKCVSTTIKOPW-KRWDZBQOSA-N 2 0 351.491 0.716 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617337 853830392 /nfs/dbraw/zinc/83/03/92/853830392.db2.gz RBCQYQBTVXTLJX-BZUAXINKSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706080 853843273 /nfs/dbraw/zinc/84/32/73/853843273.db2.gz NFKONHYDDVILIS-IXDOHACOSA-N 2 0 355.523 0.942 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207954487 853876521 /nfs/dbraw/zinc/87/65/21/853876521.db2.gz JDDLBFLNVQUQBX-KRWDZBQOSA-N 2 0 352.523 0.726 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036193 853884860 /nfs/dbraw/zinc/88/48/60/853884860.db2.gz ASJPFRYFNSMSBG-QCZOYZIOSA-N 2 0 351.491 0.713 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434952 853933275 /nfs/dbraw/zinc/93/32/75/853933275.db2.gz LAKZOAIIUHERRT-BRWVUGGUSA-N 2 0 355.523 0.798 20 0 FCADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444924 853934797 /nfs/dbraw/zinc/93/47/97/853934797.db2.gz LARLUAYAXZWQSP-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208885673 853980055 /nfs/dbraw/zinc/98/00/55/853980055.db2.gz VWXSDILHWVIFRR-QGZVFWFLSA-N 2 0 350.507 0.849 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327167 854019576 /nfs/dbraw/zinc/01/95/76/854019576.db2.gz DPSFFPLRSADBQH-NVXWUHKLSA-N 2 0 351.495 0.921 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297929 854097216 /nfs/dbraw/zinc/09/72/16/854097216.db2.gz KHHYFLBSNYQRBL-BZUAXINKSA-N 2 0 356.511 0.258 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330242 854101730 /nfs/dbraw/zinc/10/17/30/854101730.db2.gz TXVQMRXSPGPVGL-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cnn(CS(C)(=O)=O)c2)CC1 ZINC001210785687 854134047 /nfs/dbraw/zinc/13/40/47/854134047.db2.gz DYDDXCXANNFQLR-UHFFFAOYSA-N 2 0 350.448 0.776 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001211292896 854175112 /nfs/dbraw/zinc/17/51/12/854175112.db2.gz USENJLCZKGTIAG-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410295 854467025 /nfs/dbraw/zinc/46/70/25/854467025.db2.gz PWMPTMVLSRCAOB-KURKYZTESA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212453006 854485138 /nfs/dbraw/zinc/48/51/38/854485138.db2.gz OJTJZKOVGWPHIY-BRWVUGGUSA-N 2 0 353.507 0.839 20 0 FCADRP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342093 854581189 /nfs/dbraw/zinc/58/11/89/854581189.db2.gz GTHVKDNTDOWBIO-BRWVUGGUSA-N 2 0 353.507 0.959 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1OC)[NH+](C)C ZINC001213457950 854625490 /nfs/dbraw/zinc/62/54/90/854625490.db2.gz IYJBBECRPZZTMV-QLFBSQMISA-N 2 0 370.519 0.374 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213588977 854677587 /nfs/dbraw/zinc/67/75/87/854677587.db2.gz YFQWDIPJPJDRSR-IAGOWNOFSA-N 2 0 359.511 0.323 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214757203 855003478 /nfs/dbraw/zinc/00/34/78/855003478.db2.gz DWCHJLMFACBJQV-HZSPNIEDSA-N 2 0 351.488 0.147 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001214904761 855030995 /nfs/dbraw/zinc/03/09/95/855030995.db2.gz IKWCUEFUIMOBTR-BZPMIXESSA-N 2 0 366.428 0.688 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215225954 855084786 /nfs/dbraw/zinc/08/47/86/855084786.db2.gz AIMFOQDNERGGCG-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001215234286 855087522 /nfs/dbraw/zinc/08/75/22/855087522.db2.gz NTXNRELVNGCUNZ-OWCLPIDISA-N 2 0 350.507 0.966 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215388485 855107808 /nfs/dbraw/zinc/10/78/08/855107808.db2.gz FWNPWICQBMLSDM-OIISXLGYSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215407662 855111389 /nfs/dbraw/zinc/11/13/89/855111389.db2.gz MCLCZCFOLXHTFG-UKRRQHHQSA-N 2 0 371.503 0.826 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001215414007 855112154 /nfs/dbraw/zinc/11/21/54/855112154.db2.gz OKVVNENVPURNPD-CHWSQXEVSA-N 2 0 365.503 0.860 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)CS(C)(=O)=O ZINC001215453427 855117084 /nfs/dbraw/zinc/11/70/84/855117084.db2.gz ASWZAXCYTAWRMP-IIAWOOMASA-N 2 0 359.536 0.445 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458985 855117089 /nfs/dbraw/zinc/11/70/89/855117089.db2.gz SGNAAYZKBRSBJS-OWCLPIDISA-N 2 0 356.511 0.306 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001215453879 855117110 /nfs/dbraw/zinc/11/71/10/855117110.db2.gz WWUBGEQRUVUZJW-RHSMWYFYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215453555 855117381 /nfs/dbraw/zinc/11/73/81/855117381.db2.gz IETFIMVDQLHLQL-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1)[NH+](C)C ZINC001215474376 855119873 /nfs/dbraw/zinc/11/98/73/855119873.db2.gz ORRKGWXWYHUPPG-QGPMSJSTSA-N 2 0 352.523 0.878 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1)[NH+](C)C ZINC001215474573 855119977 /nfs/dbraw/zinc/11/99/77/855119977.db2.gz ZIMWYPMGMDXECY-YRGRVCCFSA-N 2 0 368.507 0.499 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541357 855127484 /nfs/dbraw/zinc/12/74/84/855127484.db2.gz ZARLDFRVWRBRBW-BZUAXINKSA-N 2 0 353.511 0.472 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1)[NH+](C)C ZINC001215571338 855129109 /nfs/dbraw/zinc/12/91/09/855129109.db2.gz LGSRPDUSJKXFMB-KFWWJZLASA-N 2 0 355.527 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215564004 855129112 /nfs/dbraw/zinc/12/91/12/855129112.db2.gz WYRRBSNYMVYFJF-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216001617 855163852 /nfs/dbraw/zinc/16/38/52/855163852.db2.gz GDKGGOONNDIHLT-HZPDHXFCSA-N 2 0 361.552 0.978 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216002313 855164052 /nfs/dbraw/zinc/16/40/52/855164052.db2.gz RCVQMLIYCMKYSO-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC001216401180 855199407 /nfs/dbraw/zinc/19/94/07/855199407.db2.gz HJRQPQSQVKPTCK-NXHRZFHOSA-N 2 0 355.523 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216500049 855208387 /nfs/dbraw/zinc/20/83/87/855208387.db2.gz XBMNJBHLXCOJBV-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001216511432 855209889 /nfs/dbraw/zinc/20/98/89/855209889.db2.gz SGLIIRKNRDHYPS-ZIAGYGMSSA-N 2 0 351.451 0.782 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216751937 855232032 /nfs/dbraw/zinc/23/20/32/855232032.db2.gz CKZVJTYYPLESRZ-HZSPNIEDSA-N 2 0 365.503 0.494 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757540 855234139 /nfs/dbraw/zinc/23/41/39/855234139.db2.gz CLHYBZQMQZWZIY-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217923239 855382574 /nfs/dbraw/zinc/38/25/74/855382574.db2.gz IDDDFOPVPHIDJN-OKZBNKHCSA-N 2 0 351.491 0.666 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@H]1C ZINC001217988383 855389899 /nfs/dbraw/zinc/38/98/99/855389899.db2.gz OIMSTTGKSALWFB-GHMZBOCLSA-N 2 0 352.435 0.528 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC001218249854 855409483 /nfs/dbraw/zinc/40/94/83/855409483.db2.gz ZYFMIDGABXMQOW-GMTAPVOTSA-N 2 0 350.419 0.280 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1 ZINC001218249856 855409500 /nfs/dbraw/zinc/40/95/00/855409500.db2.gz ZYFMIDGABXMQOW-HBNTYKKESA-N 2 0 350.419 0.280 20 0 FCADRP Cc1nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc(C)c1Br ZINC001218512780 855432160 /nfs/dbraw/zinc/43/21/60/855432160.db2.gz ABVWEDPNCDQUQC-LLVKDONJSA-N 2 0 371.283 0.545 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)nn1 ZINC001218509801 855432511 /nfs/dbraw/zinc/43/25/11/855432511.db2.gz YDXKJMVVYXETIF-QWRGUYRKSA-N 2 0 354.842 0.516 20 0 FCADRP Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nc(C)c1Br ZINC001218514877 855433503 /nfs/dbraw/zinc/43/35/03/855433503.db2.gz XNRLLRKNARPUCH-QMTHXVAHSA-N 2 0 354.252 0.994 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)COC1(C)C ZINC001218535627 855436137 /nfs/dbraw/zinc/43/61/37/855436137.db2.gz YXSCRBNOUIVNCT-QXEWZRGKSA-N 2 0 367.475 0.208 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1ncnc2[nH]cc(Br)c21)C1CC[NH2+]CC1 ZINC001218616451 855450833 /nfs/dbraw/zinc/45/08/33/855450833.db2.gz UMGDCYFFYBTROR-SNVBAGLBSA-N 2 0 353.224 0.986 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)c[nH]c1=O ZINC001218642813 855456411 /nfs/dbraw/zinc/45/64/11/855456411.db2.gz MGYMETQDETUBRC-AAEUAGOBSA-N 2 0 369.853 0.826 20 0 FCADRP C[C@H]1CCc2sc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C(N)=O)c2C1 ZINC001218707886 855467530 /nfs/dbraw/zinc/46/75/30/855467530.db2.gz NAIQWSDSNSXSQS-WPRPVWTQSA-N 2 0 356.517 0.930 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218713832 855468839 /nfs/dbraw/zinc/46/88/39/855468839.db2.gz SGPIMWGRUTYZBY-QWRGUYRKSA-N 2 0 353.423 0.296 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)COC1(C)C ZINC001218712193 855468899 /nfs/dbraw/zinc/46/88/99/855468899.db2.gz NNCGHBQFKQKPAK-NHCYSSNCSA-N 2 0 351.407 0.348 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723978 855471494 /nfs/dbraw/zinc/47/14/94/855471494.db2.gz BDEXJLQKVIXQTL-AWEZNQCLSA-N 2 0 366.491 0.102 20 0 FCADRP CCOC(=O)c1sc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1C1CC1 ZINC001218805594 855481376 /nfs/dbraw/zinc/48/13/76/855481376.db2.gz ZBFWZPHHVFIHFS-SNVBAGLBSA-N 2 0 350.444 0.945 20 0 FCADRP [NH3+][C@@H](Cc1cscn1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218880295 855490482 /nfs/dbraw/zinc/49/04/82/855490482.db2.gz CSJPDKIMJIIHGM-AWEZNQCLSA-N 2 0 359.455 0.697 20 0 FCADRP CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001218885169 855491230 /nfs/dbraw/zinc/49/12/30/855491230.db2.gz GEPPQHCIMWLELN-ZDUSSCGKSA-N 2 0 372.491 0.730 20 0 FCADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218893733 855492729 /nfs/dbraw/zinc/49/27/29/855492729.db2.gz FJCPTKOYNLLDLH-MLGOLLRUSA-N 2 0 352.460 0.075 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(Br)c2c1C(=O)NC2 ZINC001219446742 855674385 /nfs/dbraw/zinc/67/43/85/855674385.db2.gz WTSSJHYYDQZULG-VIFPVBQESA-N 2 0 373.276 0.650 20 0 FCADRP O=C(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cccc(Br)c1 ZINC001219577701 855720495 /nfs/dbraw/zinc/72/04/95/855720495.db2.gz KAEPGHBAANPKLH-LBPRGKRZSA-N 2 0 352.232 0.557 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580714 855721396 /nfs/dbraw/zinc/72/13/96/855721396.db2.gz QSWYKGAQNBQFKL-YNEHKIRRSA-N 2 0 360.252 0.026 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609651 855732942 /nfs/dbraw/zinc/73/29/42/855732942.db2.gz BBDXCSNJRFTLTL-FZMZJTMJSA-N 2 0 351.369 0.990 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650587 855755946 /nfs/dbraw/zinc/75/59/46/855755946.db2.gz PPVSXWIWVRHPRU-QXKUPLGCSA-N 2 0 372.579 0.960 20 0 FCADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001219696548 855774624 /nfs/dbraw/zinc/77/46/24/855774624.db2.gz KBYPRWJUDAZGDO-KGLIPLIRSA-N 2 0 368.275 0.593 20 0 FCADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC001219720799 855784593 /nfs/dbraw/zinc/78/45/93/855784593.db2.gz QZHNTUGMLDZIRE-ZOBORPQBSA-N 2 0 354.248 0.594 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219744105 855794927 /nfs/dbraw/zinc/79/49/27/855794927.db2.gz SJRNLBUBGHWQPK-BBWFWOEESA-N 2 0 350.507 0.478 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219744107 855795503 /nfs/dbraw/zinc/79/55/03/855795503.db2.gz SJRNLBUBGHWQPK-ULQDDVLXSA-N 2 0 350.507 0.478 20 0 FCADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838886 855839382 /nfs/dbraw/zinc/83/93/82/855839382.db2.gz VXJXXBGWHGWBGL-KRXQYRFLSA-N 2 0 355.479 0.043 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc2c1CC[NH2+]C2 ZINC001219844739 855843648 /nfs/dbraw/zinc/84/36/48/855843648.db2.gz QKLONFNMJQDXRU-SJCJKPOMSA-N 2 0 351.472 0.519 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccsc2)C1 ZINC001219854286 855847453 /nfs/dbraw/zinc/84/74/53/855847453.db2.gz HCHVKSXLZYSBCC-LJIZCISZSA-N 2 0 350.488 0.315 20 0 FCADRP CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877467 855857498 /nfs/dbraw/zinc/85/74/98/855857498.db2.gz HFWIFPKTCISRSC-CVEARBPZSA-N 2 0 355.523 0.942 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922704 855879700 /nfs/dbraw/zinc/87/97/00/855879700.db2.gz CHNJQEZHOZVOAF-UAGQMJEPSA-N 2 0 355.523 0.962 20 0 FCADRP COc1ccc(O[C@@H](C)CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219947876 855892002 /nfs/dbraw/zinc/89/20/02/855892002.db2.gz GKHZVHFGYZPJLC-GUYCJALGSA-N 2 0 350.463 0.329 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)CCCC1 ZINC001220077888 855948469 /nfs/dbraw/zinc/94/84/69/855948469.db2.gz AHUFKNOGIUVNOQ-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)CCCC1 ZINC001220078214 855948659 /nfs/dbraw/zinc/94/86/59/855948659.db2.gz KKVQVLSDBKXZMP-SJORKVTESA-N 2 0 353.507 0.839 20 0 FCADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220161223 855988153 /nfs/dbraw/zinc/98/81/53/855988153.db2.gz AMNKZTYFNKFFSQ-VYDXJSESSA-N 2 0 369.531 0.439 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220166641 855991727 /nfs/dbraw/zinc/99/17/27/855991727.db2.gz FABGFJFYEPBKAR-QWQRMKEZSA-N 2 0 354.495 0.284 20 0 FCADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230832 856023544 /nfs/dbraw/zinc/02/35/44/856023544.db2.gz QJDMUXJSXCXVLU-KGLIPLIRSA-N 2 0 352.504 0.497 20 0 FCADRP [NH3+][C@H](C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001220318787 856064230 /nfs/dbraw/zinc/06/42/30/856064230.db2.gz BCMMMKQGUIIHBN-ZOBUZTSGSA-N 2 0 353.463 0.274 20 0 FCADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220384360 856099720 /nfs/dbraw/zinc/09/97/20/856099720.db2.gz QHHKGTYGCINFBY-AWEZNQCLSA-N 2 0 354.476 0.342 20 0 FCADRP CCS(=O)(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001220489900 856152152 /nfs/dbraw/zinc/15/21/52/856152152.db2.gz LEAQEWGCCWUVSD-RHSMWYFYSA-N 2 0 351.472 0.296 20 0 FCADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)c1ccccc1 ZINC001220500602 856156875 /nfs/dbraw/zinc/15/68/75/856156875.db2.gz JOVFPLFZMXLJAL-STQMWFEESA-N 2 0 360.380 0.979 20 0 FCADRP N=C(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(Br)cc1F ZINC001220511397 856161340 /nfs/dbraw/zinc/16/13/40/856161340.db2.gz WBDODKYNRAYPLK-SNVBAGLBSA-N 2 0 355.211 0.839 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1ccc(Br)cc1 ZINC001220607050 856203590 /nfs/dbraw/zinc/20/35/90/856203590.db2.gz HKGCFSPQIOYZBX-OSAQELSMSA-N 2 0 353.264 0.517 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccc(Br)cc1 ZINC001220608651 856204877 /nfs/dbraw/zinc/20/48/77/856204877.db2.gz XMAVYIMSPDSGEE-SCUASFONSA-N 2 0 353.264 0.515 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccccc1OC1CCOCC1 ZINC001220666501 856231734 /nfs/dbraw/zinc/23/17/34/856231734.db2.gz ZJQGERZCENAGHL-HNNXBMFYSA-N 2 0 353.488 0.880 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220681303 856238649 /nfs/dbraw/zinc/23/86/49/856238649.db2.gz HKBAXQXZLOUZLL-OLZOCXBDSA-N 2 0 355.401 0.459 20 0 FCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001220716741 856259775 /nfs/dbraw/zinc/25/97/75/856259775.db2.gz QDIFCCCRPBNLKD-JONQDZQNSA-N 2 0 369.531 0.532 20 0 FCADRP CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220799830 856306531 /nfs/dbraw/zinc/30/65/31/856306531.db2.gz HKHDZLNHYLASCK-LSDHHAIUSA-N 2 0 365.861 0.739 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800695 856306705 /nfs/dbraw/zinc/30/67/05/856306705.db2.gz UFCMLDBRRINPRL-FRRDWIJNSA-N 3 0 364.412 0.096 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001220803099 856308460 /nfs/dbraw/zinc/30/84/60/856308460.db2.gz BUZDXABUUJAJMA-AGIUHOORSA-N 2 0 358.364 0.312 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccccc2C(F)(F)F)C[NH2+]C1 ZINC001220850985 856336642 /nfs/dbraw/zinc/33/66/42/856336642.db2.gz CIWINKRSXUSYGA-LBPRGKRZSA-N 2 0 359.348 0.597 20 0 FCADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220870682 856350285 /nfs/dbraw/zinc/35/02/85/856350285.db2.gz OGHXPVBSAUKXCT-OVGLSYRBSA-N 2 0 371.279 0.629 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220936558 856384998 /nfs/dbraw/zinc/38/49/98/856384998.db2.gz HEZPDZGKACNZDM-CVEARBPZSA-N 2 0 353.488 0.750 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1(Cc2ccncc2)CCOCC1 ZINC001220998823 856415713 /nfs/dbraw/zinc/41/57/13/856415713.db2.gz BZFAAWQZEYGGAU-HNNXBMFYSA-N 2 0 352.504 0.556 20 0 FCADRP [NH3+][C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001221004020 856417962 /nfs/dbraw/zinc/41/79/62/856417962.db2.gz IXUMCYGQCVAGEU-VGWMRTNUSA-N 2 0 352.479 0.036 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060809 856439792 /nfs/dbraw/zinc/43/97/92/856439792.db2.gz PLMJPJNQXQCHDN-AWEZNQCLSA-N 2 0 354.426 0.376 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC001221272207 856535043 /nfs/dbraw/zinc/53/50/43/856535043.db2.gz ZATOFBCXIDSTES-UHFFFAOYSA-N 2 0 350.447 0.554 20 0 FCADRP COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1nnc(C)o1 ZINC001221335379 856551276 /nfs/dbraw/zinc/55/12/76/856551276.db2.gz FHVWOAHLCQMTQA-GXTWGEPZSA-N 2 0 365.459 0.611 20 0 FCADRP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001221338609 856552785 /nfs/dbraw/zinc/55/27/85/856552785.db2.gz YRFDATNZUXJCHS-JKSUJKDBSA-N 2 0 350.463 0.778 20 0 FCADRP CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359039 856554376 /nfs/dbraw/zinc/55/43/76/856554376.db2.gz ZWVVZWUIHPAPLI-CVEARBPZSA-N 2 0 352.523 0.724 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407867 856560136 /nfs/dbraw/zinc/56/01/36/856560136.db2.gz FFUDXPCSXUVKOY-BARDWOONSA-N 2 0 354.495 0.532 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414581 856560284 /nfs/dbraw/zinc/56/02/84/856560284.db2.gz VEKZQCREQXWGPA-HRCADAONSA-N 2 0 355.866 0.798 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407682 856560396 /nfs/dbraw/zinc/56/03/96/856560396.db2.gz DFXOGBHGJFAFES-STQMWFEESA-N 2 0 364.412 0.667 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]2CC1 ZINC001279308718 862821456 /nfs/dbraw/zinc/82/14/56/862821456.db2.gz JNEGRWKBGFOEAQ-OKILXGFUSA-N 2 0 352.435 0.652 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221920622 856734758 /nfs/dbraw/zinc/73/47/58/856734758.db2.gz OJECBCOZZUZXJH-IAGOWNOFSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001221950628 856746354 /nfs/dbraw/zinc/74/63/54/856746354.db2.gz QEPASVRLANBZNQ-KZNAEPCWSA-N 2 0 353.507 0.914 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001222026972 856776058 /nfs/dbraw/zinc/77/60/58/856776058.db2.gz GDKRMYMJSMSFOX-QZTJIDSGSA-N 2 0 353.507 0.794 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001222083965 856797878 /nfs/dbraw/zinc/79/78/78/856797878.db2.gz QTLAMGPQEGRFPZ-QZTJIDSGSA-N 2 0 353.507 0.794 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089231 856798829 /nfs/dbraw/zinc/79/88/29/856798829.db2.gz FGKLFYVDUVKAGQ-FGTMMUONSA-N 2 0 353.507 0.793 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058579 856893838 /nfs/dbraw/zinc/89/38/38/856893838.db2.gz SWTGKYQDWSBGFP-IKGGRYGDSA-N 2 0 351.491 0.545 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424564 856915115 /nfs/dbraw/zinc/91/51/15/856915115.db2.gz DZVARPKZFKDPDD-SQNIBIBYSA-N 2 0 355.523 0.894 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522010 856922661 /nfs/dbraw/zinc/92/26/61/856922661.db2.gz KUZNTCYUKCXPOT-ZACQAIPSSA-N 2 0 355.523 0.894 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NCC2CC[NH+](CCOCC(F)F)CC2)O1 ZINC001223570865 856925914 /nfs/dbraw/zinc/92/59/14/856925914.db2.gz SKZJFEQNPONFCB-UKRRQHHQSA-N 2 0 363.449 0.815 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223837979 856944889 /nfs/dbraw/zinc/94/48/89/856944889.db2.gz DPMCRJUYEQATID-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912424 856950656 /nfs/dbraw/zinc/95/06/56/856950656.db2.gz TWQLERULANTEHI-KURKYZTESA-N 2 0 353.507 0.914 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346441 857036007 /nfs/dbraw/zinc/03/60/07/857036007.db2.gz MTQJBTDHWKQVKP-BZUAXINKSA-N 2 0 359.536 0.922 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226563952 857109975 /nfs/dbraw/zinc/10/99/75/857109975.db2.gz GBFBUBBXCYGGNK-RBSFLKMASA-N 2 0 365.515 0.728 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001226766237 857124549 /nfs/dbraw/zinc/12/45/49/857124549.db2.gz KFWMAWOZCJFIJE-RCCFBDPRSA-N 2 0 355.523 0.990 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001226782444 857125792 /nfs/dbraw/zinc/12/57/92/857125792.db2.gz NCHVFAFTHPSZAX-ARFHVFGLSA-N 2 0 371.547 0.922 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC)[NH+](C)C ZINC001227056235 857138609 /nfs/dbraw/zinc/13/86/09/857138609.db2.gz CIIONBPNYSNRJE-BZUAXINKSA-N 2 0 356.511 0.496 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001227150170 857146177 /nfs/dbraw/zinc/14/61/77/857146177.db2.gz LLTJPRKSSJVEKN-MCIONIFRSA-N 2 0 352.479 0.539 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)CC1 ZINC001228239734 857198009 /nfs/dbraw/zinc/19/80/09/857198009.db2.gz YCTSJSZGBDVLSP-HUUCEWRRSA-N 2 0 359.536 0.780 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001228261841 857198905 /nfs/dbraw/zinc/19/89/05/857198905.db2.gz NRBFZFICMBQOIF-CHWSQXEVSA-N 2 0 368.507 0.835 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228260802 857199099 /nfs/dbraw/zinc/19/90/99/857199099.db2.gz FFFYWFOMJLDZOW-IAGOWNOFSA-N 2 0 356.511 0.498 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001228365758 857206589 /nfs/dbraw/zinc/20/65/89/857206589.db2.gz ITXFUAKRMPRCIH-ARFHVFGLSA-N 2 0 354.495 0.250 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229231634 857259979 /nfs/dbraw/zinc/25/99/79/857259979.db2.gz RWYRGOYENUPSQR-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229692477 857281743 /nfs/dbraw/zinc/28/17/43/857281743.db2.gz HVFJZTGNTKXHEB-BZUAXINKSA-N 2 0 356.511 0.496 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C1CC1 ZINC001229691735 857281781 /nfs/dbraw/zinc/28/17/81/857281781.db2.gz AAAONFXYYNLLEM-HZPDHXFCSA-N 2 0 354.495 0.202 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001229683236 857281890 /nfs/dbraw/zinc/28/18/90/857281890.db2.gz RRRMPNPYXNETPH-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)nn1C ZINC001229710233 857283527 /nfs/dbraw/zinc/28/35/27/857283527.db2.gz POHAWIIETDJTFX-IAGOWNOFSA-N 2 0 351.495 0.824 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001230138010 857305650 /nfs/dbraw/zinc/30/56/50/857305650.db2.gz BLHKTUUDIHRXGI-BZUAXINKSA-N 2 0 371.547 0.780 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141277 857306647 /nfs/dbraw/zinc/30/66/47/857306647.db2.gz DKJFPKBNKUILNS-HZPDHXFCSA-N 2 0 354.495 0.252 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230274662 857322767 /nfs/dbraw/zinc/32/27/67/857322767.db2.gz FEPGVHHQHWYAAV-MCIONIFRSA-N 2 0 353.467 0.073 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001230284504 857322800 /nfs/dbraw/zinc/32/28/00/857322800.db2.gz ILEQJPKNIKSOLQ-HUUCEWRRSA-N 2 0 362.540 0.235 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC001279467136 862899619 /nfs/dbraw/zinc/89/96/19/862899619.db2.gz IQKCSQOKRDSPMN-ULQDDVLXSA-N 2 0 350.507 0.239 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001231312256 857358474 /nfs/dbraw/zinc/35/84/74/857358474.db2.gz FXDOCRKJESBICA-QGZVFWFLSA-N 2 0 355.527 0.158 20 0 FCADRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1Cl ZINC001235875606 857434670 /nfs/dbraw/zinc/43/46/70/857434670.db2.gz RIOVYMGRHDWWLH-UHFFFAOYSA-N 2 0 356.898 0.942 20 0 FCADRP Nc1ncc(Br)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309405 857438060 /nfs/dbraw/zinc/43/80/60/857438060.db2.gz NHMMFNNVJQGICL-UHFFFAOYSA-N 2 0 373.299 0.042 20 0 FCADRP CCN(CC)c1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])s1 ZINC001236307187 857438216 /nfs/dbraw/zinc/43/82/16/857438216.db2.gz CVKVDMUJGLIQRY-UHFFFAOYSA-N 2 0 356.540 0.605 20 0 FCADRP C[Si](C)(C)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310600 857438898 /nfs/dbraw/zinc/43/88/98/857438898.db2.gz IPVCLDAVUHNONW-UHFFFAOYSA-N 2 0 350.583 0.848 20 0 FCADRP Cc1oc(Br)nc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236314615 857440011 /nfs/dbraw/zinc/44/00/11/857440011.db2.gz NEVBXGVRXJQZQP-UHFFFAOYSA-N 2 0 362.272 0.361 20 0 FCADRP C[NH+]1CCN(c2cncc(NS(=O)(=O)CC3CC[NH2+]CC3)c2)CC1 ZINC001237566856 857455168 /nfs/dbraw/zinc/45/51/68/857455168.db2.gz WGGUZUDAKWIGEL-UHFFFAOYSA-N 2 0 353.492 0.575 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc2c(c1)OCCO2 ZINC001238239586 857464818 /nfs/dbraw/zinc/46/48/18/857464818.db2.gz DVYBEKIEPAKNOV-ZDUSSCGKSA-N 2 0 367.471 0.610 20 0 FCADRP COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238242143 857465051 /nfs/dbraw/zinc/46/50/51/857465051.db2.gz MRKPSNXLZVKEHJ-AWEZNQCLSA-N 2 0 367.471 0.626 20 0 FCADRP [NH3+]CCS(=O)(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001238578240 857473092 /nfs/dbraw/zinc/47/30/92/857473092.db2.gz LYEMIWFYGQPMSJ-HUUCEWRRSA-N 2 0 355.460 0.324 20 0 FCADRP COc1ccc(C2(CNS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001238849254 857484470 /nfs/dbraw/zinc/48/44/70/857484470.db2.gz FPCXFRRPSBRLRU-MRXNPFEDSA-N 2 0 353.488 0.598 20 0 FCADRP COc1ccccc1C1(CNS(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238850634 857484713 /nfs/dbraw/zinc/48/47/13/857484713.db2.gz PVSKLAAZHLKODA-UHFFFAOYSA-N 2 0 367.515 0.988 20 0 FCADRP COC(=O)c1sc(Cl)cc1S(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238879840 857485625 /nfs/dbraw/zinc/48/56/25/857485625.db2.gz XHZJGIDHEQMQSE-UHFFFAOYSA-N 2 0 369.896 0.795 20 0 FCADRP COc1nc(Cl)ccc1S(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238879824 857485616 /nfs/dbraw/zinc/48/56/16/857485616.db2.gz PQLQWRRAAVJADW-UHFFFAOYSA-N 2 0 350.872 0.741 20 0 FCADRP [NH3+]CCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001239076763 857506151 /nfs/dbraw/zinc/50/61/51/857506151.db2.gz GALMVSCVCFPTSF-ZWKOTPCHSA-N 2 0 371.547 0.735 20 0 FCADRP CCOC(=O)[C@H](CCSC)NC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239218222 857524240 /nfs/dbraw/zinc/52/42/40/857524240.db2.gz XEYYKVPVKBJHFX-KGLIPLIRSA-N 2 0 372.535 0.845 20 0 FCADRP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001279504402 862920909 /nfs/dbraw/zinc/92/09/09/862920909.db2.gz IDWVXDHTCQPIJP-XSLAGTTESA-N 2 0 353.507 0.912 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241613988 857539966 /nfs/dbraw/zinc/53/99/66/857539966.db2.gz GJSTWUZEOLMRGH-UHFFFAOYSA-N 2 0 361.471 0.725 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241615239 857540004 /nfs/dbraw/zinc/54/00/04/857540004.db2.gz XOVUDOMMRGPANW-UHFFFAOYSA-N 2 0 361.471 0.725 20 0 FCADRP O[C@@H](CNc1c(F)cccc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245973467 857561522 /nfs/dbraw/zinc/56/15/22/857561522.db2.gz LMISWIWISWKNRW-CQSZACIVSA-N 2 0 352.454 0.513 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001245979035 857561640 /nfs/dbraw/zinc/56/16/40/857561640.db2.gz SAILABXWTRHBJQ-FJIDUMEYSA-N 3 0 355.429 0.696 20 0 FCADRP O[C@@H](CNc1cccc(F)c1O[C@@H]1CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245970577 857561768 /nfs/dbraw/zinc/56/17/68/857561768.db2.gz JFPKUOBOJLKGFR-ZIAGYGMSSA-N 2 0 353.438 0.844 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001245981908 857562752 /nfs/dbraw/zinc/56/27/52/857562752.db2.gz HEAOWEGEBGYOJE-RRQGHBQHSA-N 3 0 355.429 0.554 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001246018438 857563903 /nfs/dbraw/zinc/56/39/03/857563903.db2.gz DLGUSDIERJRFDU-IEBWSBKVSA-N 2 0 352.475 0.791 20 0 FCADRP O[C@@H](COc1ccc(Cl)cc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058452 857567345 /nfs/dbraw/zinc/56/73/45/857567345.db2.gz VNRAOKPNKLEYJC-MRXNPFEDSA-N 2 0 356.898 0.164 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147212 857569164 /nfs/dbraw/zinc/56/91/64/857569164.db2.gz WHNQPRDKEKHHJQ-LDDOYCOJSA-N 2 0 355.479 0.043 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246159701 857570422 /nfs/dbraw/zinc/57/04/22/857570422.db2.gz ZFTDUEQCDPKRLQ-PHXFHCBBSA-N 3 0 351.491 0.807 20 0 FCADRP CCOC(=O)C[C@H]([NH2+][C@H]1CN[C@@](CC)(C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246239372 857571177 /nfs/dbraw/zinc/57/11/77/857571177.db2.gz XPOXMIVALSLBMN-RVKKMQEKSA-N 2 0 355.479 0.581 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@@H]([C@H]2CCC[NH2+]C2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246486405 857581459 /nfs/dbraw/zinc/58/14/59/857581459.db2.gz JEDGRXLOKXWNSV-CYDGBPFRSA-N 2 0 366.453 0.770 20 0 FCADRP C[C@@H]([NH3+])c1cc(F)c(N([C@@H]2CCNC3(C[NH2+]C3)C2)S(C)(=O)=O)c(F)c1 ZINC001246465875 857581495 /nfs/dbraw/zinc/58/14/95/857581495.db2.gz OUMMBYZJRXAAEB-ZYHUDNBSSA-N 2 0 374.457 0.845 20 0 FCADRP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604005 857585692 /nfs/dbraw/zinc/58/56/92/857585692.db2.gz PYLLODOUQMOZOO-QLFBSQMISA-N 2 0 353.463 0.287 20 0 FCADRP O=C([C@@H]1C[C@@H](N2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246620242 857586879 /nfs/dbraw/zinc/58/68/79/857586879.db2.gz QJICCIYIOGGJJD-UBDQQSCGSA-N 2 0 358.511 0.821 20 0 FCADRP FC(F)(F)c1cc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246811131 857601794 /nfs/dbraw/zinc/60/17/94/857601794.db2.gz NQOGXQBMIARAKJ-GFCCVEGCSA-N 2 0 356.396 0.711 20 0 FCADRP COC(=O)[C@@H](N)[C@@H]1CCC[N@@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926499 857606762 /nfs/dbraw/zinc/60/67/62/857606762.db2.gz TXZJNIJBIVRUQP-MQPNKABOSA-N 2 0 353.463 0.271 20 0 FCADRP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246976361 857607920 /nfs/dbraw/zinc/60/79/20/857607920.db2.gz OHQSMRDXIZOHOQ-AYXTYWIVSA-N 3 0 350.507 0.556 20 0 FCADRP COCC[N@@H+]1CCOC[C@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253388276 857884020 /nfs/dbraw/zinc/88/40/20/857884020.db2.gz DXMVZLNINNXHGH-IEBWSBKVSA-N 2 0 357.539 0.796 20 0 FCADRP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253389753 857885086 /nfs/dbraw/zinc/88/50/86/857885086.db2.gz CYULERIHYHXLTG-VQHPVUNQSA-N 2 0 355.523 0.845 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517166 857976157 /nfs/dbraw/zinc/97/61/57/857976157.db2.gz FFRMSFIMBTYEII-HKUYNNGSSA-N 2 0 352.523 0.631 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803433 857986565 /nfs/dbraw/zinc/98/65/65/857986565.db2.gz BELBVWYUSVLBRZ-CHWSQXEVSA-N 2 0 357.451 0.492 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC001255485469 858014786 /nfs/dbraw/zinc/01/47/86/858014786.db2.gz PMKCLJNGBSLQHO-KRWDZBQOSA-N 2 0 352.523 0.583 20 0 FCADRP COC[C@H](C)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001255562351 858020078 /nfs/dbraw/zinc/02/00/78/858020078.db2.gz VYDNAVYXQSLZHE-UYLCUJDWSA-N 2 0 361.527 0.790 20 0 FCADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969347 858042882 /nfs/dbraw/zinc/04/28/82/858042882.db2.gz YOHYCJMNHHYZSX-DOTOQJQBSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)O1 ZINC001255975853 858043543 /nfs/dbraw/zinc/04/35/43/858043543.db2.gz FIWWNMODVMQUSE-UPJWGTAASA-N 2 0 353.385 0.854 20 0 FCADRP CN(C)S(=O)(=O)N1CCC[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615150 862980227 /nfs/dbraw/zinc/98/02/27/862980227.db2.gz LECHUCYDCXIHAR-KRWDZBQOSA-N 2 0 358.552 0.970 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCOC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279618381 862983954 /nfs/dbraw/zinc/98/39/54/862983954.db2.gz WHNBUSLQCBHVQC-MJGOQNOKSA-N 2 0 352.523 0.631 20 0 FCADRP CN(C1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1)S(C)(=O)=O ZINC001256697463 858096350 /nfs/dbraw/zinc/09/63/50/858096350.db2.gz DEHGCZJTVRTMMP-UHFFFAOYSA-N 2 0 359.536 0.986 20 0 FCADRP O=C1COCCN1C1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256696387 858096391 /nfs/dbraw/zinc/09/63/91/858096391.db2.gz CORWNVKGIFKSMR-UHFFFAOYSA-N 2 0 351.491 0.953 20 0 FCADRP OCCOCCOCCOCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849492 858100523 /nfs/dbraw/zinc/10/05/23/858100523.db2.gz CYELFUVBWHQURQ-UHFFFAOYSA-N 2 0 353.463 0.682 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046564 858765785 /nfs/dbraw/zinc/76/57/85/858765785.db2.gz SSSVERNJICTCAE-ROUUACIJSA-N 2 0 352.523 0.679 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC001262064425 858769634 /nfs/dbraw/zinc/76/96/34/858769634.db2.gz ZVTFSSPTFMOQMF-VGWMRTNUSA-N 2 0 354.495 0.093 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001262614822 859018847 /nfs/dbraw/zinc/01/88/47/859018847.db2.gz RGDOZOWPDQRLEG-DLBZAZTESA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]([NH3+])CCSC)[C@H]1CCS(=O)(=O)C1 ZINC001263111003 859104414 /nfs/dbraw/zinc/10/44/14/859104414.db2.gz OMTMJJMXMPLRKT-UONOGXRCSA-N 2 0 365.565 0.424 20 0 FCADRP [NH3+][C@@H](CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2)Cc1cc(F)c(F)cc1F ZINC001263172980 859116374 /nfs/dbraw/zinc/11/63/74/859116374.db2.gz MKXSSWULDBLNDL-HWPZZCPQSA-N 2 0 356.348 0.359 20 0 FCADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001264000627 859276781 /nfs/dbraw/zinc/27/67/81/859276781.db2.gz XZRDYLFMPAUEQS-ZBFHGGJFSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264095906 859309544 /nfs/dbraw/zinc/30/95/44/859309544.db2.gz AAMNBSXHPSCTIY-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001264502677 859369875 /nfs/dbraw/zinc/36/98/75/859369875.db2.gz PLIGRRNEWPQPPX-HYVNUMGLSA-N 2 0 351.495 0.681 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652522 859985873 /nfs/dbraw/zinc/98/58/73/859985873.db2.gz NLGFXOIYCZSHKH-LPHOPBHVSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001272744867 860244556 /nfs/dbraw/zinc/24/45/56/860244556.db2.gz LNOQLBSMBLCSSI-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2CC1 ZINC001272746233 860245191 /nfs/dbraw/zinc/24/51/91/860245191.db2.gz XDVWLEWDWTUCDV-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001272834659 860276562 /nfs/dbraw/zinc/27/65/62/860276562.db2.gz YZTWAHFIKAYSHR-LJQANCHMSA-N 2 0 350.507 0.875 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001273453154 860493800 /nfs/dbraw/zinc/49/38/00/860493800.db2.gz HRALCINMALATLC-HOTGVXAUSA-N 2 0 350.507 0.587 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273834982 860614375 /nfs/dbraw/zinc/61/43/75/860614375.db2.gz JVBOLWHEHGAZEH-IXDOHACOSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC3CCOCC3)CC2)CC[N@@H+]1C ZINC001274519923 860768836 /nfs/dbraw/zinc/76/88/36/860768836.db2.gz CONVGNQRWJGNKJ-NVXWUHKLSA-N 2 0 353.507 0.696 20 0 FCADRP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274907621 860867669 /nfs/dbraw/zinc/86/76/69/860867669.db2.gz FEMCSIQTFROOCL-KBPBESRZSA-N 2 0 350.488 0.551 20 0 FCADRP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@H+](C)CCN3C)(C1)CCC2 ZINC001275176852 860979095 /nfs/dbraw/zinc/97/90/95/860979095.db2.gz MBKHXMQZKMEBRW-NZSAHSFTSA-N 2 0 351.539 0.345 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(CCC[NH+]3CCCCC3)C[C@@]2(F)C1=O ZINC001275342840 861038694 /nfs/dbraw/zinc/03/86/94/861038694.db2.gz GCVQEKDJJBTFQZ-ZWKOTPCHSA-N 2 0 358.477 0.998 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507882 861115041 /nfs/dbraw/zinc/11/50/41/861115041.db2.gz LJEIKRXVGLQEJV-IBGZPJMESA-N 2 0 352.523 0.977 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511697 861117635 /nfs/dbraw/zinc/11/76/35/861117635.db2.gz NGOHKYGYVXPYCP-IBGZPJMESA-N 2 0 352.523 0.977 20 0 FCADRP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275555431 861126263 /nfs/dbraw/zinc/12/62/63/861126263.db2.gz BFXSUKICHYVTIY-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001275555865 861127712 /nfs/dbraw/zinc/12/77/12/861127712.db2.gz DGZVFRMXNKYOAV-IBGZPJMESA-N 3 0 352.523 0.441 20 0 FCADRP CC[C@@H](C(N)=O)N1CC2(CCC1=O)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001275736172 861178783 /nfs/dbraw/zinc/17/87/83/861178783.db2.gz CQPIAFIKVOPNDO-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP O=C1CO[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)CN1CC1CCOCC1 ZINC001275736103 861178910 /nfs/dbraw/zinc/17/89/10/861178910.db2.gz AVJMYRVQTOTMJC-IBGZPJMESA-N 2 0 351.491 0.716 20 0 FCADRP CC[C@H](C(N)=O)N1CC[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736795 861179900 /nfs/dbraw/zinc/17/99/00/861179900.db2.gz HIFIZCXALWLKHF-APWZRJJASA-N 2 0 350.507 0.955 20 0 FCADRP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737880 861181958 /nfs/dbraw/zinc/18/19/58/861181958.db2.gz QJJDPTMPAIYKMC-IBGZPJMESA-N 2 0 350.507 0.968 20 0 FCADRP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC[NH2+]CC2)N1CCN1CCOCC1 ZINC001275738411 861182350 /nfs/dbraw/zinc/18/23/50/861182350.db2.gz YJHAWESRLRBNLK-QZTJIDSGSA-N 2 0 350.507 0.384 20 0 FCADRP COC(=O)CCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279884117 863113455 /nfs/dbraw/zinc/11/34/55/863113455.db2.gz MBINTYPAEUKRBE-OAHLLOKOSA-N 2 0 369.531 0.958 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]23)CC1 ZINC001279891647 863118261 /nfs/dbraw/zinc/11/82/61/863118261.db2.gz DVFHFECPLOBDNH-CWRNSKLLSA-N 2 0 350.463 0.262 20 0 FCADRP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893954 863120278 /nfs/dbraw/zinc/12/02/78/863120278.db2.gz NNWYRMZLJYRYLK-AHCXZYCDSA-N 2 0 351.491 0.713 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001279913683 863132491 /nfs/dbraw/zinc/13/24/91/863132491.db2.gz HISXQOMORMDSEO-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001279995446 863172193 /nfs/dbraw/zinc/17/21/93/863172193.db2.gz ZRGOMDRBXVOUAT-CALCHBBNSA-N 2 0 371.595 0.539 20 0 FCADRP CN1CCC([N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001280071247 863242508 /nfs/dbraw/zinc/24/25/08/863242508.db2.gz OFCQTMDUMYOJEM-LJQANCHMSA-N 2 0 351.539 0.299 20 0 FCADRP CCOC(=O)CC[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280091208 863260212 /nfs/dbraw/zinc/26/02/12/863260212.db2.gz JXQRJMIMLCFKHB-OAHLLOKOSA-N 2 0 369.531 0.958 20 0 FCADRP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)C[C@@H](C)O1 ZINC001280138536 863289206 /nfs/dbraw/zinc/28/92/06/863289206.db2.gz ZVRSWGDMOJHCAX-LUYZLQTOSA-N 2 0 350.463 0.308 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CC3(C)COC3)C[C@H]12 ZINC001280180655 863311413 /nfs/dbraw/zinc/31/14/13/863311413.db2.gz OZLIKCWMKRYKOD-LSDHHAIUSA-N 2 0 352.479 0.510 20 0 FCADRP C[NH+](C)CCCN1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280218984 863343183 /nfs/dbraw/zinc/34/31/83/863343183.db2.gz LZOMUGHEXOHZQZ-SQNIBIBYSA-N 2 0 350.507 0.334 20 0 FCADRP C[NH+](C)CCN1CCC([NH+]2CCC(C(=O)NCC3COC3)CC2)CC1 ZINC001280221086 863344871 /nfs/dbraw/zinc/34/48/71/863344871.db2.gz KJUXVEGJUJCNPE-UHFFFAOYSA-N 2 0 352.523 0.487 20 0 FCADRP C[NH+](C)CCN1CC2(C1)SCC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280221455 863345043 /nfs/dbraw/zinc/34/50/43/863345043.db2.gz QBEWRWCDDKQKJX-INIZCTEOSA-N 2 0 354.564 0.908 20 0 FCADRP CN(C)C(=O)CNC(=O)C12CC([NH2+]CC3(C[NH+](C)C)CCCC3)(C1)C2 ZINC001280237206 863353959 /nfs/dbraw/zinc/35/39/59/863353959.db2.gz MROJHZUOBVYADA-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280249849 863361215 /nfs/dbraw/zinc/36/12/15/863361215.db2.gz HELRKECOTGHGGG-JKSUJKDBSA-N 2 0 350.463 0.168 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001288980068 864834871 /nfs/dbraw/zinc/83/48/71/864834871.db2.gz PFPSTHYCOGKPDL-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)[NH+](C)C ZINC001288991271 864840516 /nfs/dbraw/zinc/84/05/16/864840516.db2.gz LJEPDZWTRSTWQZ-LZLYRXPVSA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1)[NH+](C)C ZINC001290533829 865443357 /nfs/dbraw/zinc/44/33/57/865443357.db2.gz IAQDNRYETHTFCB-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294457490 865835544 /nfs/dbraw/zinc/83/55/44/865835544.db2.gz MQZDKCATKUOJGI-AEFFLSMTSA-N 2 0 350.511 0.821 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001351513048 866888507 /nfs/dbraw/zinc/88/85/07/866888507.db2.gz USNHEZDEEUXMSV-SJLPKXTDSA-N 2 0 350.507 0.478 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001351786636 866968791 /nfs/dbraw/zinc/96/87/91/866968791.db2.gz GNCUKLCBYMIHFI-JQHSSLGASA-N 2 0 351.539 0.994 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001316596663 867361954 /nfs/dbraw/zinc/36/19/54/867361954.db2.gz VMDABYIMBIVKRX-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC001353245177 867380580 /nfs/dbraw/zinc/38/05/80/867380580.db2.gz JLMYGDNMJKACEE-BZUAXINKSA-N 2 0 354.495 0.237 20 0 FCADRP C[N@H+](CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1)C1CCCCC1 ZINC001316755098 867452625 /nfs/dbraw/zinc/45/26/25/867452625.db2.gz DXLWGUVJVYGBAT-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP [NH3+]C1(CNC(=O)[C@@H]2CSCC(=O)N2)CC[NH+](Cc2ccccc2)CC1 ZINC001353891978 867518983 /nfs/dbraw/zinc/51/89/83/867518983.db2.gz BFMLKEWKMSQDJW-HNNXBMFYSA-N 2 0 362.499 0.328 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001318722441 867735569 /nfs/dbraw/zinc/73/55/69/867735569.db2.gz NZXCVJWBDKGNME-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558893 868132447 /nfs/dbraw/zinc/13/24/47/868132447.db2.gz ARXHNPWIPVBEIK-HZPDHXFCSA-N 2 0 354.495 0.291 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001322272278 868780658 /nfs/dbraw/zinc/78/06/58/868780658.db2.gz MSVRQALEUWBWLK-MRXNPFEDSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC001322551484 868856645 /nfs/dbraw/zinc/85/66/45/868856645.db2.gz PNLSZUMUFOKYPX-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC001325862891 870066556 /nfs/dbraw/zinc/06/65/56/870066556.db2.gz KSAXLTYJDVNFEX-HZPDHXFCSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]CCc1nc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1 ZINC001326307288 870250501 /nfs/dbraw/zinc/25/05/01/870250501.db2.gz XBZJSEUOQIZLRV-STQMWFEESA-N 2 0 365.503 0.365 20 0 FCADRP CS(=O)(=O)C1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC001326673534 870442356 /nfs/dbraw/zinc/44/23/56/870442356.db2.gz BHLNMZKFXPECGK-UHFFFAOYSA-N 2 0 357.520 0.676 20 0 FCADRP COc1nc(Cl)c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)n1C ZINC001345079511 871179219 /nfs/dbraw/zinc/17/92/19/871179219.db2.gz ZUZXOLLCVOYSHI-UHFFFAOYSA-N 2 0 371.913 0.968 20 0 FCADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457402 871443058 /nfs/dbraw/zinc/44/30/58/871443058.db2.gz RILJTCGVJYFXIE-QZTJIDSGSA-N 2 0 352.523 0.774 20 0 FCADRP C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001345921574 871561247 /nfs/dbraw/zinc/56/12/47/871561247.db2.gz PVFPEWCPYVSLRP-GNBKXHOFSA-N 2 0 350.507 0.849 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC001346237291 871720181 /nfs/dbraw/zinc/72/01/81/871720181.db2.gz OTIDEIKIWOASCW-MRXNPFEDSA-N 2 0 354.495 0.637 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001346299616 871759477 /nfs/dbraw/zinc/75/94/77/871759477.db2.gz NXEFJKVZBKOVDN-LSDHHAIUSA-N 2 0 351.495 0.180 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425403 871833882 /nfs/dbraw/zinc/83/38/82/871833882.db2.gz GCVRIVRYYIJARB-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001329143360 871846437 /nfs/dbraw/zinc/84/64/37/871846437.db2.gz USEGYQMXWDJIGJ-PBHICJAKSA-N 2 0 355.504 0.349 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC001346521498 871882079 /nfs/dbraw/zinc/88/20/79/871882079.db2.gz YAGMPDRWSQJGPW-WBVHZDCISA-N 2 0 353.511 0.175 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H]3[C@@H]1CCC[N@@H+]3CCO)C2 ZINC001346537619 871890348 /nfs/dbraw/zinc/89/03/48/871890348.db2.gz KWCPJUVGJIKLHL-KBPBESRZSA-N 2 0 365.503 0.611 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001329316496 871949924 /nfs/dbraw/zinc/94/99/24/871949924.db2.gz NXUPUBQNQWICBL-INIZCTEOSA-N 2 0 360.524 0.148 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC001330578991 872714811 /nfs/dbraw/zinc/71/48/11/872714811.db2.gz SQKIOCXHFJOACE-UHFFFAOYSA-N 2 0 361.552 0.320 20 0 FCADRP C[C@@H](C(=O)NC[C@H]1CCCO1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC001330776825 872808244 /nfs/dbraw/zinc/80/82/44/872808244.db2.gz AXHUMXLISSOANU-XJKSGUPXSA-N 2 0 350.467 0.100 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C(F)(F)F ZINC001331065856 872942740 /nfs/dbraw/zinc/94/27/40/872942740.db2.gz FVZJTCDEGIOYOV-WOPDTQHZSA-N 2 0 360.384 0.802 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCSC1 ZINC001331490311 873123049 /nfs/dbraw/zinc/12/30/49/873123049.db2.gz XHZWNRUANRWXMH-SFHVURJKSA-N 2 0 368.547 0.532 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)C[C@H]21 ZINC001331705953 873206405 /nfs/dbraw/zinc/20/64/05/873206405.db2.gz FHEHCRXGJOUUMI-DDHJBXDOSA-N 2 0 354.405 0.950 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)N1 ZINC001332340787 873464624 /nfs/dbraw/zinc/46/46/24/873464624.db2.gz QKDGEMDSDLCGOK-HBSJQHRPSA-N 2 0 350.463 0.475 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001332702626 873622888 /nfs/dbraw/zinc/62/28/88/873622888.db2.gz DUZRNQNDXKLGJE-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574918291 948840824 /nfs/dbraw/zinc/84/08/24/948840824.db2.gz ILSFBULJJZXZHT-GFCCVEGCSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926204 948990566 /nfs/dbraw/zinc/99/05/66/948990566.db2.gz KVYIHVGXFVNROQ-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926348 948999131 /nfs/dbraw/zinc/99/91/31/948999131.db2.gz ODOKVQAXFGKZDY-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926428 949001729 /nfs/dbraw/zinc/00/17/29/949001729.db2.gz QEBGTAFVWZQBBO-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575252395 949163496 /nfs/dbraw/zinc/16/34/96/949163496.db2.gz GCECEPTYHUBRHI-VXGBXAGGSA-N 2 0 358.450 0.473 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574962829 949740072 /nfs/dbraw/zinc/74/00/72/949740072.db2.gz CQUIYDUGDVCPTO-IHRRRGAJSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575286033 949968675 /nfs/dbraw/zinc/96/86/75/949968675.db2.gz SJVBPGALCVFXOP-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574158026 950269999 /nfs/dbraw/zinc/26/99/99/950269999.db2.gz NBZDSFXAUWZJRG-KBPBESRZSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197178 950382395 /nfs/dbraw/zinc/38/23/95/950382395.db2.gz LGUCMJFFUCTGJZ-UONOGXRCSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203695 950447677 /nfs/dbraw/zinc/44/76/77/950447677.db2.gz IMQWERSEVMWCFF-GOEBONIOSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205315 950505739 /nfs/dbraw/zinc/50/57/39/950505739.db2.gz XBUASUBLEQMPJU-HOCLYGCPSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207397 950594544 /nfs/dbraw/zinc/59/45/44/950594544.db2.gz HCIVEGAMLOTXOB-CQSZACIVSA-N 2 0 357.462 0.757 20 0 FCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227919 950922785 /nfs/dbraw/zinc/92/27/85/950922785.db2.gz FSISQYZWTSWNQL-SWLSCSKDSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575092903 951795411 /nfs/dbraw/zinc/79/54/11/951795411.db2.gz FSAKULHFGPJRAT-AWEZNQCLSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575100146 951841586 /nfs/dbraw/zinc/84/15/86/951841586.db2.gz RAXUOVYAVQKBGD-GFCCVEGCSA-N 2 0 363.491 0.961 20 0 FCADRP Cc1cc(N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077786 952122185 /nfs/dbraw/zinc/12/21/85/952122185.db2.gz HECNORYRKLIDKT-HNNXBMFYSA-N 2 0 370.461 0.749 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001575145176 952179966 /nfs/dbraw/zinc/17/99/66/952179966.db2.gz RUQCNCWFEZZKPK-ZDUSSCGKSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413241321 529688643 /nfs/dbraw/zinc/68/86/43/529688643.db2.gz KADSDWMJJIHAPE-KRWDZBQOSA-N 2 0 369.554 0.813 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000410752684 529929368 /nfs/dbraw/zinc/92/93/68/529929368.db2.gz IFBYIGAKTFFCCW-QFBILLFUSA-N 2 0 350.507 0.873 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000930718823 674050910 /nfs/dbraw/zinc/05/09/10/674050910.db2.gz RKAPIGGXPCHLBP-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCCC1 ZINC000331480413 215003188 /nfs/dbraw/zinc/00/31/88/215003188.db2.gz HWOWFMBVXKBNQL-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000331541640 215013229 /nfs/dbraw/zinc/01/32/29/215013229.db2.gz FCOBNPUAQOUWRD-INIZCTEOSA-N 2 0 350.507 0.955 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331572065 215017766 /nfs/dbraw/zinc/01/77/66/215017766.db2.gz LQFOVSTVXSTWNJ-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331684058 215034385 /nfs/dbraw/zinc/03/43/85/215034385.db2.gz SAQXMOKBENBOOF-YJNKXOJESA-N 2 0 352.479 0.158 20 0 FCADRP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000331718162 215038965 /nfs/dbraw/zinc/03/89/65/215038965.db2.gz PVIAZOSRRJPHOB-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C[C@@H]1[NH3+] ZINC000331751287 215042149 /nfs/dbraw/zinc/04/21/49/215042149.db2.gz ABDXILAWMMRYLK-IKGGRYGDSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000331801119 215048186 /nfs/dbraw/zinc/04/81/86/215048186.db2.gz QQWGRXPIAGOLAT-BRWVUGGUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331839185 215053249 /nfs/dbraw/zinc/05/32/49/215053249.db2.gz UBGGYZUOMPKEDD-IXDOHACOSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331910124 215066522 /nfs/dbraw/zinc/06/65/22/215066522.db2.gz HXZISMPDDOORCO-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332061495 215086087 /nfs/dbraw/zinc/08/60/87/215086087.db2.gz YDMHQXLSEDKQRR-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332292363 215123643 /nfs/dbraw/zinc/12/36/43/215123643.db2.gz CTDZCJOOOLWGDD-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332375783 215139291 /nfs/dbraw/zinc/13/92/91/215139291.db2.gz RMGZSXNDGWMQJZ-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000332341677 215134273 /nfs/dbraw/zinc/13/42/73/215134273.db2.gz XFHHVGGNAVXKLP-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@@H]1C[NH3+] ZINC000332472794 215157586 /nfs/dbraw/zinc/15/75/86/215157586.db2.gz MUPJFVMXDLKDIH-HOTGVXAUSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000332472799 215158496 /nfs/dbraw/zinc/15/84/96/215158496.db2.gz MUPJFVMXDLKDIH-JKSUJKDBSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000332550555 215177457 /nfs/dbraw/zinc/17/74/57/215177457.db2.gz PGVPRZIKBVOWPS-RDJZCZTQSA-N 2 0 366.506 0.001 20 0 FCADRP [NH3+]C1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333133864 215241296 /nfs/dbraw/zinc/24/12/96/215241296.db2.gz BHCKREJVOYFLFS-ORPJZTTNSA-N 2 0 361.534 0.829 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000333298170 215260136 /nfs/dbraw/zinc/26/01/36/215260136.db2.gz IOIPAQBYRVRFNG-BBWFWOEESA-N 2 0 354.495 0.635 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333508561 215291896 /nfs/dbraw/zinc/29/18/96/215291896.db2.gz FCVRZJLGJUWNEO-IBGZPJMESA-N 2 0 372.517 0.987 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000333494934 215289874 /nfs/dbraw/zinc/28/98/74/215289874.db2.gz DSZNXIFLJGYXPW-HZSPNIEDSA-N 2 0 363.428 0.558 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333546673 215295589 /nfs/dbraw/zinc/29/55/89/215295589.db2.gz OQUGYWWLFCSSOW-BRWVUGGUSA-N 2 0 353.511 0.175 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C2CC3CC(C2)CC1C3 ZINC000333611997 215302416 /nfs/dbraw/zinc/30/24/16/215302416.db2.gz YCMDHTKGVOZBSI-ORPJZTTNSA-N 2 0 361.534 0.829 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000333659228 215306167 /nfs/dbraw/zinc/30/61/67/215306167.db2.gz LHUZSLPCQZHNGR-FGTMMUONSA-N 2 0 367.538 0.693 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000333928513 215332257 /nfs/dbraw/zinc/33/22/57/215332257.db2.gz XKVPDJSMXIIUFT-FJIDUMEYSA-N 2 0 351.539 0.946 20 0 FCADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000334092657 215344602 /nfs/dbraw/zinc/34/46/02/215344602.db2.gz OTORRQQBZXKFFF-HMQMGEFJSA-N 2 0 363.506 0.560 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443026 213341858 /nfs/dbraw/zinc/34/18/58/213341858.db2.gz ZCLOGPUHKBPREQ-CVEARBPZSA-N 2 0 359.474 0.943 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285218872 213305504 /nfs/dbraw/zinc/30/55/04/213305504.db2.gz RPCCEBFPDTVYIH-CEXWTWQISA-N 2 0 372.513 0.828 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086594 213280286 /nfs/dbraw/zinc/28/02/86/213280286.db2.gz PPASVVZKLIIMJW-MAUKXSAKSA-N 2 0 358.486 0.834 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[NH+](C)CCOC)c1 ZINC000284942017 213253254 /nfs/dbraw/zinc/25/32/54/213253254.db2.gz JKVPDZAZWMEPJN-UHFFFAOYSA-N 2 0 364.490 0.449 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283910815 213033626 /nfs/dbraw/zinc/03/36/26/213033626.db2.gz HYJNLHPAPZEGHI-KRWDZBQOSA-N 2 0 364.490 0.490 20 0 FCADRP 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 ZINC000411905149 237098439 /nfs/dbraw/zinc/09/84/39/237098439.db2.gz BFKOZVBOMTZWII-CWQOZTLDSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366595518 216001967 /nfs/dbraw/zinc/00/19/67/216001967.db2.gz GUDILJHSFNLXSD-QLFBSQMISA-N 2 0 353.429 0.884 20 0 FCADRP COCC(COC)N1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000412434024 237207771 /nfs/dbraw/zinc/20/77/71/237207771.db2.gz FRBRAODGLRKULB-SFHVURJKSA-N 2 0 369.506 0.435 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000366776548 216030727 /nfs/dbraw/zinc/03/07/27/216030727.db2.gz MUTJGBFRJILIQK-KRWDZBQOSA-N 2 0 368.522 0.994 20 0 FCADRP C[C@@H]1[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000413443872 237335109 /nfs/dbraw/zinc/33/51/09/237335109.db2.gz RNPBCZFYSZVBJU-IAGOWNOFSA-N 2 0 367.538 0.565 20 0 FCADRP CN(C(=O)CNc1ccccc1C(N)=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368037647 216195078 /nfs/dbraw/zinc/19/50/78/216195078.db2.gz AIYLVABKAGAWTA-MRXNPFEDSA-N 2 0 373.501 0.824 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1=O ZINC000246529954 209389126 /nfs/dbraw/zinc/38/91/26/209389126.db2.gz WNABXEBMODNAIL-YQQAZPJKSA-N 2 0 350.507 0.918 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000237903750 209361304 /nfs/dbraw/zinc/36/13/04/209361304.db2.gz DZOJZKUYFWFYMO-MRXNPFEDSA-N 2 0 366.506 0.335 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229154 /nfs/dbraw/zinc/22/91/54/216229154.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 0 354.495 0.648 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)c1 ZINC000237589091 209353387 /nfs/dbraw/zinc/35/33/87/209353387.db2.gz HHIZQVSLXWPERB-UHFFFAOYSA-N 2 0 371.445 0.569 20 0 FCADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237460415 209352041 /nfs/dbraw/zinc/35/20/41/209352041.db2.gz FYALAXDPGARYNR-GUYCJALGSA-N 2 0 350.438 0.743 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000237325665 209350218 /nfs/dbraw/zinc/35/02/18/209350218.db2.gz CCGCFLSORJMJPD-GJZGRUSLSA-N 2 0 351.520 0.789 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000237171857 209349755 /nfs/dbraw/zinc/34/97/55/209349755.db2.gz HCHHMIISKSRXDR-INIZCTEOSA-N 2 0 364.515 0.689 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236841389 209344785 /nfs/dbraw/zinc/34/47/85/209344785.db2.gz YKIZVSJBEKRXHZ-SFHVURJKSA-N 2 0 358.486 0.714 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000236613061 209340807 /nfs/dbraw/zinc/34/08/07/209340807.db2.gz AWHXSMMKYSJRPZ-UHFFFAOYSA-N 2 0 359.518 0.852 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368575580 216266800 /nfs/dbraw/zinc/26/68/00/216266800.db2.gz IWUYONXUNBYQQN-KURKYZTESA-N 2 0 350.507 0.260 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368980949 216328304 /nfs/dbraw/zinc/32/83/04/216328304.db2.gz NKPNEADFOPDXNC-MSOLQXFVSA-N 2 0 368.522 0.728 20 0 FCADRP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048126 216339553 /nfs/dbraw/zinc/33/95/53/216339553.db2.gz SJSDQJMKIVYZHP-SQNIBIBYSA-N 2 0 367.538 0.421 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396371 216395928 /nfs/dbraw/zinc/39/59/28/216395928.db2.gz XBYPAEXKVKXDTN-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000369479640 216413227 /nfs/dbraw/zinc/41/32/27/216413227.db2.gz BGHXRJILGQFEEW-RDJZCZTQSA-N 2 0 354.495 0.507 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000189936815 209263229 /nfs/dbraw/zinc/26/32/29/209263229.db2.gz UUNAGDBHWVXOQZ-INIZCTEOSA-N 2 0 354.539 0.752 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000187941504 209220861 /nfs/dbraw/zinc/22/08/61/209220861.db2.gz JPDUPOPJWCKLNA-HYVNUMGLSA-N 2 0 360.458 0.699 20 0 FCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000275919446 212118825 /nfs/dbraw/zinc/11/88/25/212118825.db2.gz SUZVWBLPIHCKSN-UHFFFAOYSA-N 2 0 350.463 0.737 20 0 FCADRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737735 245319326 /nfs/dbraw/zinc/31/93/26/245319326.db2.gz OIULVSIMLWYGER-LSDHHAIUSA-N 2 0 352.504 0.844 20 0 FCADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742664 245319469 /nfs/dbraw/zinc/31/94/69/245319469.db2.gz NSVXPKYKYNSGKZ-IAGOWNOFSA-N 2 0 360.506 0.823 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760833 245322538 /nfs/dbraw/zinc/32/25/38/245322538.db2.gz RPAJBKLGKSYJMG-ZCNNSNEGSA-N 2 0 372.513 0.769 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000414765384 245323358 /nfs/dbraw/zinc/32/33/58/245323358.db2.gz BXURIDCFAZMNST-QGZVFWFLSA-N 2 0 362.474 0.914 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088298 245346580 /nfs/dbraw/zinc/34/65/80/245346580.db2.gz WGOHRXSXZAGJKC-IRXDYDNUSA-N 2 0 374.485 0.453 20 0 FCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2C1 ZINC000415119098 245348206 /nfs/dbraw/zinc/34/82/06/245348206.db2.gz YQINYUKORPQDNL-WBVHZDCISA-N 2 0 371.485 0.923 20 0 FCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000415253996 245369517 /nfs/dbraw/zinc/36/95/17/245369517.db2.gz JPSIUBBWCKSQIH-KRWDZBQOSA-N 2 0 362.474 0.698 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415302092 245381656 /nfs/dbraw/zinc/38/16/56/245381656.db2.gz CBBJLYRFCCPVCT-UHFFFAOYSA-N 2 0 364.515 0.942 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000415304887 245382428 /nfs/dbraw/zinc/38/24/28/245382428.db2.gz GKDLEHYYRUXLFU-UHFFFAOYSA-N 2 0 373.501 0.897 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415319029 245383752 /nfs/dbraw/zinc/38/37/52/245383752.db2.gz SAEJKZGWRCGNJE-MRXNPFEDSA-N 2 0 373.501 0.944 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442687 217019995 /nfs/dbraw/zinc/01/99/95/217019995.db2.gz VZLWIJIIRXTAKF-GMBSWORKSA-N 2 0 352.523 0.804 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931567873 674120314 /nfs/dbraw/zinc/12/03/14/674120314.db2.gz ZGLCASSHLCUCRD-GJZGRUSLSA-N 2 0 350.467 0.508 20 0 FCADRP COCC[C@@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC[NH2+]C1 ZINC000374453868 217130833 /nfs/dbraw/zinc/13/08/33/217130833.db2.gz WBSPPIDJEYMRAV-KXBFYZLASA-N 2 0 362.474 0.939 20 0 FCADRP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000374526134 217139750 /nfs/dbraw/zinc/13/97/50/217139750.db2.gz FJPVYDCHYAIBRR-KRWDZBQOSA-N 2 0 353.507 0.937 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000415753489 245487250 /nfs/dbraw/zinc/48/72/50/245487250.db2.gz YMNADQNYNCJIBT-JKSUJKDBSA-N 2 0 374.485 0.942 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000375592410 217288679 /nfs/dbraw/zinc/28/86/79/217288679.db2.gz SHLWFGLEKCTQSN-LJQANCHMSA-N 2 0 365.566 0.817 20 0 FCADRP CC1CC[NH+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000416877400 245649602 /nfs/dbraw/zinc/64/96/02/245649602.db2.gz UKWYSTASEBHAHH-MRXNPFEDSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCCC1 ZINC000417172649 245676135 /nfs/dbraw/zinc/67/61/35/245676135.db2.gz FXCMUTXKPVSFCK-JKSUJKDBSA-N 2 0 353.511 0.605 20 0 FCADRP C[N@H+](CCCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000418270051 245771672 /nfs/dbraw/zinc/77/16/72/245771672.db2.gz RKBUJLYLIZZIMB-AWEZNQCLSA-N 2 0 365.444 0.996 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610178 245804103 /nfs/dbraw/zinc/80/41/03/245804103.db2.gz GNDZRYPELAZXET-QWHCGFSZSA-N 2 0 351.417 0.593 20 0 FCADRP C[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000418617875 245805478 /nfs/dbraw/zinc/80/54/78/245805478.db2.gz NRADRKACAZSLME-AGIUHOORSA-N 2 0 351.417 0.591 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611934 245802809 /nfs/dbraw/zinc/80/28/09/245802809.db2.gz IFISPWXGQJOXOF-CYBMUJFWSA-N 2 0 353.433 0.806 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418858058 245871722 /nfs/dbraw/zinc/87/17/22/245871722.db2.gz IJSVMNCKJYYMMG-UONOGXRCSA-N 2 0 350.488 0.951 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418998952 245937408 /nfs/dbraw/zinc/93/74/08/245937408.db2.gz MVONBOVQXSQAGX-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419033148 245947430 /nfs/dbraw/zinc/94/74/30/245947430.db2.gz XVKFWNPKRQMXCQ-XHSDSOJGSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419131826 246006074 /nfs/dbraw/zinc/00/60/74/246006074.db2.gz GYRRTRSCSGXGAO-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000419153974 246020723 /nfs/dbraw/zinc/02/07/23/246020723.db2.gz PNBAGUXCJXILGX-ROUUACIJSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158033 246024613 /nfs/dbraw/zinc/02/46/13/246024613.db2.gz XEKWCAYUWWMDMY-ZIAGYGMSSA-N 2 0 352.504 0.882 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000419136808 246010772 /nfs/dbraw/zinc/01/07/72/246010772.db2.gz PSNFJTIDLCAIPF-RBSFLKMASA-N 2 0 356.511 0.434 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419146838 246014618 /nfs/dbraw/zinc/01/46/18/246014618.db2.gz IQWJVHYNMRMQSS-ZIAGYGMSSA-N 2 0 350.488 0.554 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419165409 246027813 /nfs/dbraw/zinc/02/78/13/246027813.db2.gz GIMRWVKKOBFTTQ-QRVBRYPASA-N 2 0 370.497 0.345 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000419166063 246028649 /nfs/dbraw/zinc/02/86/49/246028649.db2.gz OAOCGENAOAVILB-QGZVFWFLSA-N 2 0 374.485 0.391 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419165481 246028884 /nfs/dbraw/zinc/02/88/84/246028884.db2.gz GLIYTFVIMNWTKV-JKSUJKDBSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166926 246031130 /nfs/dbraw/zinc/03/11/30/246031130.db2.gz ICLRPPBDAHTIFL-NZSAHSFTSA-N 2 0 372.513 0.863 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000419196171 246046572 /nfs/dbraw/zinc/04/65/72/246046572.db2.gz WRHMWCUIUFOPGE-HUUCEWRRSA-N 2 0 359.474 0.371 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000419183422 246040304 /nfs/dbraw/zinc/04/03/04/246040304.db2.gz MHPMIWMQGXAIKW-HOTGVXAUSA-N 2 0 352.479 0.086 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000419186451 246042349 /nfs/dbraw/zinc/04/23/49/246042349.db2.gz IEBMVXSNEFNAJO-GOSISDBHSA-N 2 0 374.485 0.180 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419190064 246044618 /nfs/dbraw/zinc/04/46/18/246044618.db2.gz MKZBSDZRQXREMJ-KRWDZBQOSA-N 2 0 362.449 0.775 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419194822 246046811 /nfs/dbraw/zinc/04/68/11/246046811.db2.gz UFSRZWSBABXSDF-GOSISDBHSA-N 2 0 358.486 0.678 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419194430 246046106 /nfs/dbraw/zinc/04/61/06/246046106.db2.gz SSAASXTYJBQPEA-GOSISDBHSA-N 2 0 358.486 0.759 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419212614 246057539 /nfs/dbraw/zinc/05/75/39/246057539.db2.gz UWIVRXWFCQJPNQ-PXNSSMCTSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000419224381 246064139 /nfs/dbraw/zinc/06/41/39/246064139.db2.gz ZIPBPYFPCXLPDO-INIZCTEOSA-N 2 0 362.474 0.583 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419199026 246047732 /nfs/dbraw/zinc/04/77/32/246047732.db2.gz DIVGMUVTTOLRRN-ZBFHGGJFSA-N 2 0 362.474 0.439 20 0 FCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419197704 246048232 /nfs/dbraw/zinc/04/82/32/246048232.db2.gz YFTLGMOLBMGZNZ-UHFFFAOYSA-N 2 0 358.486 0.632 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419199677 246048727 /nfs/dbraw/zinc/04/87/27/246048727.db2.gz DMRRCSLPODIYGK-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419198783 246049309 /nfs/dbraw/zinc/04/93/09/246049309.db2.gz ZCXAYFLUHQWKIJ-KRWDZBQOSA-N 2 0 362.449 0.775 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419197687 246049412 /nfs/dbraw/zinc/04/94/12/246049412.db2.gz BXJZVVHXTKPBPJ-GASCZTMLSA-N 2 0 362.474 0.452 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000419205312 246052077 /nfs/dbraw/zinc/05/20/77/246052077.db2.gz JWBSVZXACJGLMR-IIDMSEBBSA-N 2 0 374.485 0.390 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419209361 246054765 /nfs/dbraw/zinc/05/47/65/246054765.db2.gz BHXXSGKALRBYHS-UAGQMJEPSA-N 2 0 350.507 0.953 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419284544 246086792 /nfs/dbraw/zinc/08/67/92/246086792.db2.gz LGOLCBGERNQMGG-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228607 246069036 /nfs/dbraw/zinc/06/90/36/246069036.db2.gz MLVAIFVONPNJSL-XYJFISCASA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000419237945 246073634 /nfs/dbraw/zinc/07/36/34/246073634.db2.gz MIAKVTZWXQTHDC-HZPDHXFCSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419245284 246075978 /nfs/dbraw/zinc/07/59/78/246075978.db2.gz LLUINUWUKRAHES-VQFNDLOPSA-N 2 0 360.502 0.985 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000419266544 246080480 /nfs/dbraw/zinc/08/04/80/246080480.db2.gz GSHVNPNIIRTICS-KRWDZBQOSA-N 2 0 362.474 0.249 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419370373 246119693 /nfs/dbraw/zinc/11/96/93/246119693.db2.gz GVMRWRDIYUSMSH-QGZVFWFLSA-N 2 0 360.502 0.691 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373347 246121730 /nfs/dbraw/zinc/12/17/30/246121730.db2.gz MQJVOBJGWVJRIO-WMLDXEAASA-N 2 0 358.486 0.445 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000419371928 246122069 /nfs/dbraw/zinc/12/20/69/246122069.db2.gz LRGFQUFBDZLSGO-SJORKVTESA-N 2 0 352.523 0.927 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419374060 246122514 /nfs/dbraw/zinc/12/25/14/246122514.db2.gz NQSNMICAJYICMU-SFHVURJKSA-N 2 0 372.513 0.802 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389428 246129274 /nfs/dbraw/zinc/12/92/74/246129274.db2.gz HOSUERYUTYJNAT-QZTJIDSGSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419414560 246146965 /nfs/dbraw/zinc/14/69/65/246146965.db2.gz SZUAWGFGZPLBKN-CJNGLKHVSA-N 2 0 350.438 0.613 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419412024 246147836 /nfs/dbraw/zinc/14/78/36/246147836.db2.gz CGNGUAIHAVFGFW-WBVHZDCISA-N 2 0 358.486 0.747 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000419412419 246148171 /nfs/dbraw/zinc/14/81/71/246148171.db2.gz QUHVJSDBSGDNLJ-OAHLLOKOSA-N 2 0 350.438 0.755 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419414559 246148211 /nfs/dbraw/zinc/14/82/11/246148211.db2.gz SZUAWGFGZPLBKN-BBRMVZONSA-N 2 0 350.438 0.613 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419391736 246130873 /nfs/dbraw/zinc/13/08/73/246130873.db2.gz KFYLSPNXNMYRBB-MAUKXSAKSA-N 2 0 358.486 0.747 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000419401069 246134758 /nfs/dbraw/zinc/13/47/58/246134758.db2.gz AJSFTEWLJDWOMI-UYSNPLJNSA-N 2 0 350.438 0.931 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419417011 246150506 /nfs/dbraw/zinc/15/05/06/246150506.db2.gz HPDNJROOKNSWIJ-FCEWJHQRSA-N 2 0 352.523 0.977 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419407135 246139980 /nfs/dbraw/zinc/13/99/80/246139980.db2.gz KCQJMHFYZZWEGU-MAUKXSAKSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409187 246141789 /nfs/dbraw/zinc/14/17/89/246141789.db2.gz DTRLBMYAWNUULY-HYVNUMGLSA-N 2 0 362.474 0.246 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419410599 246144568 /nfs/dbraw/zinc/14/45/68/246144568.db2.gz ASNDXCSAZRWGIP-HNNXBMFYSA-N 2 0 354.495 0.333 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419425435 246157245 /nfs/dbraw/zinc/15/72/45/246157245.db2.gz VROAVXCNAVLILX-UHFFFAOYSA-N 2 0 373.501 0.183 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419502818 246183172 /nfs/dbraw/zinc/18/31/72/246183172.db2.gz BXNCAAWNNJAEJC-OKZBNKHCSA-N 2 0 356.470 0.303 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419509766 246184913 /nfs/dbraw/zinc/18/49/13/246184913.db2.gz UOGLBUFHWGPTNC-KRWDZBQOSA-N 2 0 358.486 0.883 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419528548 246192416 /nfs/dbraw/zinc/19/24/16/246192416.db2.gz WJNGNIVPFJJXMB-BHYGNILZSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525136 246192643 /nfs/dbraw/zinc/19/26/43/246192643.db2.gz CXAWWCJVXFHVJJ-MAUKXSAKSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475420 246176700 /nfs/dbraw/zinc/17/67/00/246176700.db2.gz DQQCXVQDZWPOED-PMPSAXMXSA-N 2 0 368.522 0.844 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419484725 246178655 /nfs/dbraw/zinc/17/86/55/246178655.db2.gz UKTOMFCCBIGLBH-BRWVUGGUSA-N 2 0 368.522 0.437 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582082 246209311 /nfs/dbraw/zinc/20/93/11/246209311.db2.gz JXUUNWFVRONQHM-CRAIPNDOSA-N 2 0 368.547 0.531 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCSC1 ZINC000419580586 246209677 /nfs/dbraw/zinc/20/96/77/246209677.db2.gz IJMOREMTOGOZFI-GOSISDBHSA-N 2 0 368.547 0.531 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419534173 246194603 /nfs/dbraw/zinc/19/46/03/246194603.db2.gz PYAQFHZNDYJCCX-MMOPVJDHSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419536576 246194695 /nfs/dbraw/zinc/19/46/95/246194695.db2.gz USSMLGMSAMIVQZ-BGTYHANMSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533700 246195570 /nfs/dbraw/zinc/19/55/70/246195570.db2.gz PAXNCTVFWOJWBV-BGTYHANMSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533363 246195901 /nfs/dbraw/zinc/19/59/01/246195901.db2.gz OUDJNMKKGPDAPY-CGTJXYLNSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537954 246195966 /nfs/dbraw/zinc/19/59/66/246195966.db2.gz WJCLRLMEVVDSBV-OQIJWPOYSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000419556944 246201985 /nfs/dbraw/zinc/20/19/85/246201985.db2.gz LMHXKRPFXGGEQZ-NRSFXHEJSA-N 2 0 358.486 0.786 20 0 FCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000419656891 246233345 /nfs/dbraw/zinc/23/33/45/246233345.db2.gz VHQREIMDFJEFEA-GDBMZVCRSA-N 2 0 362.474 0.337 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000419621847 246220175 /nfs/dbraw/zinc/22/01/75/246220175.db2.gz FSXDPUWLLXWLHI-JEBQAFNWSA-N 2 0 374.460 0.845 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419665140 246237443 /nfs/dbraw/zinc/23/74/43/246237443.db2.gz SVYCWZLLDVUMMC-KBAYOESNSA-N 2 0 374.485 0.342 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H]1C[NH3+] ZINC000419684275 246248440 /nfs/dbraw/zinc/24/84/40/246248440.db2.gz LTBKSUOYWGBFIT-HOTGVXAUSA-N 2 0 366.506 0.333 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419694026 246254352 /nfs/dbraw/zinc/25/43/52/246254352.db2.gz OVTIWZCMVWDWNO-CABCVRRESA-N 2 0 368.547 0.850 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000419701889 246257895 /nfs/dbraw/zinc/25/78/95/246257895.db2.gz BJHHSGLBPDECLS-YFHUEUNASA-N 2 0 358.486 0.974 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000419702967 246258339 /nfs/dbraw/zinc/25/83/39/246258339.db2.gz CVAGTEUAGLQVTG-BGTYHANMSA-N 2 0 356.470 0.443 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419712835 246265436 /nfs/dbraw/zinc/26/54/36/246265436.db2.gz UMOOEPGUMSFAHM-CRAIPNDOSA-N 2 0 356.470 0.802 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419753026 246283341 /nfs/dbraw/zinc/28/33/41/246283341.db2.gz NEQOSSHBAVIGJW-HNNXBMFYSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754156 246283457 /nfs/dbraw/zinc/28/34/57/246283457.db2.gz BQGOPUPJBBOBMK-CJNGLKHVSA-N 2 0 350.438 0.630 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754155 246284844 /nfs/dbraw/zinc/28/48/44/246284844.db2.gz BQGOPUPJBBOBMK-BBRMVZONSA-N 2 0 350.438 0.630 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419765157 246288641 /nfs/dbraw/zinc/28/86/41/246288641.db2.gz QBJDJKZDDRWECK-QZTJIDSGSA-N 2 0 358.486 0.963 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419769851 246292146 /nfs/dbraw/zinc/29/21/46/246292146.db2.gz WGOPUQOLCBRWGH-QZTJIDSGSA-N 2 0 374.485 0.199 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419801143 246299210 /nfs/dbraw/zinc/29/92/10/246299210.db2.gz ARKKDFHXXZEGBB-WBVHZDCISA-N 2 0 360.458 0.426 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000419804262 246301652 /nfs/dbraw/zinc/30/16/52/246301652.db2.gz CWZMSFQPPHWPQU-OWCLPIDISA-N 2 0 350.507 0.871 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419803445 246301939 /nfs/dbraw/zinc/30/19/39/246301939.db2.gz CINFBXMUNAKQDD-WMLDXEAASA-N 2 0 362.474 0.754 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419815310 246305109 /nfs/dbraw/zinc/30/51/09/246305109.db2.gz PIOBTPSXKUUHNS-BPUTZDHNSA-N 2 0 362.474 0.635 20 0 FCADRP [NH3+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419744263 246279511 /nfs/dbraw/zinc/27/95/11/246279511.db2.gz NECPSHAAIKSMIU-UHFFFAOYSA-N 2 0 367.881 0.043 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419834533 246313252 /nfs/dbraw/zinc/31/32/52/246313252.db2.gz SPRJOPFVERVSCV-HOTGVXAUSA-N 2 0 368.522 0.579 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419841686 246316998 /nfs/dbraw/zinc/31/69/98/246316998.db2.gz KOLPHGASOIAYRE-AEFFLSMTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419852987 246324514 /nfs/dbraw/zinc/32/45/14/246324514.db2.gz AJIDHLOXVHGNCD-HLLBOEOZSA-N 2 0 350.507 0.953 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419914189 246366312 /nfs/dbraw/zinc/36/63/12/246366312.db2.gz NSACCQXUJANFQG-DLBZAZTESA-N 2 0 350.507 0.969 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419924893 246370812 /nfs/dbraw/zinc/37/08/12/246370812.db2.gz NQLFTAKVFBOSCA-RBUKOAKNSA-N 2 0 370.497 0.835 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419881667 246348667 /nfs/dbraw/zinc/34/86/67/246348667.db2.gz IATZVVRSGQUFOV-HOTGVXAUSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419889176 246351424 /nfs/dbraw/zinc/35/14/24/246351424.db2.gz GSZRCENDAOPTBM-FUHWJXTLSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419889293 246352400 /nfs/dbraw/zinc/35/24/00/246352400.db2.gz SAJFCZSHKBYDLG-GHTZIAJQSA-N 2 0 370.497 0.979 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419891946 246354745 /nfs/dbraw/zinc/35/47/45/246354745.db2.gz UMWRDULORCUKPT-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000419899336 246358854 /nfs/dbraw/zinc/35/88/54/246358854.db2.gz YOOJEEORCUGEOT-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419899886 246360530 /nfs/dbraw/zinc/36/05/30/246360530.db2.gz ZSFRYJOJSKSCEM-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419965845 246392445 /nfs/dbraw/zinc/39/24/45/246392445.db2.gz KKJHVFIHGNKIPO-KRWDZBQOSA-N 2 0 367.538 0.106 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423358561 247011468 /nfs/dbraw/zinc/01/14/68/247011468.db2.gz BRRGWRITHSCDDZ-CABCVRRESA-N 2 0 364.515 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[C@@H]1[NH3+] ZINC000423361480 247012092 /nfs/dbraw/zinc/01/20/92/247012092.db2.gz GYENPINVYJZSEK-HIFRSBDPSA-N 2 0 352.504 0.834 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[C@H]1[NH3+] ZINC000423361481 247012150 /nfs/dbraw/zinc/01/21/50/247012150.db2.gz GYENPINVYJZSEK-UKRRQHHQSA-N 2 0 352.504 0.834 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)CC1 ZINC000423309354 247000850 /nfs/dbraw/zinc/00/08/50/247000850.db2.gz ZFNPRCHHZNKKIO-LBXVMSDZSA-N 2 0 362.518 0.921 20 0 FCADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000423317944 247002816 /nfs/dbraw/zinc/00/28/16/247002816.db2.gz BHBMCSFISYOPQF-ZQIUZPCESA-N 2 0 363.458 0.802 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423588672 247065354 /nfs/dbraw/zinc/06/53/54/247065354.db2.gz BBMJRKSBBVNGEV-WMZOPIPTSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000423598159 247068694 /nfs/dbraw/zinc/06/86/94/247068694.db2.gz VYZGXXLXSFEPML-QZTJIDSGSA-N 2 0 358.486 0.582 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000423437640 247027326 /nfs/dbraw/zinc/02/73/26/247027326.db2.gz GJVOKERQBBYOAJ-DJIMGWMZSA-N 2 0 350.507 0.620 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000423438212 247028234 /nfs/dbraw/zinc/02/82/34/247028234.db2.gz GZCPULTYTSFOHK-GVDBMIGSSA-N 2 0 368.522 0.532 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000423453475 247029524 /nfs/dbraw/zinc/02/95/24/247029524.db2.gz XRMIEACILWBNMO-NVXWUHKLSA-N 2 0 366.506 0.143 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470243 247034052 /nfs/dbraw/zinc/03/40/52/247034052.db2.gz GRPQXAIVTOIOGE-FGTMMUONSA-N 2 0 356.470 0.527 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@@H](C)O1 ZINC000423514862 247039772 /nfs/dbraw/zinc/03/97/72/247039772.db2.gz WYGMXVQZTFLRPC-HUUCEWRRSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000423690901 247111867 /nfs/dbraw/zinc/11/18/67/247111867.db2.gz ZFWYQHNZOAIXOV-GDBMZVCRSA-N 2 0 354.495 0.284 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423616412 247076206 /nfs/dbraw/zinc/07/62/06/247076206.db2.gz FPIFHBDFAJBGEQ-FQEVSTJZSA-N 2 0 356.470 0.543 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000423616517 247076510 /nfs/dbraw/zinc/07/65/10/247076510.db2.gz SDQCZXCBUGHOCQ-SFHVURJKSA-N 2 0 358.486 0.850 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423642879 247087291 /nfs/dbraw/zinc/08/72/91/247087291.db2.gz LSFIGPBULVUKFZ-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423645534 247090124 /nfs/dbraw/zinc/09/01/24/247090124.db2.gz KUUDUMIVVHFIRE-QYZOEREBSA-N 2 0 370.497 0.917 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1c1ccccc1 ZINC000423652125 247094538 /nfs/dbraw/zinc/09/45/38/247094538.db2.gz SKVCDJUOCOJNBW-FGTMMUONSA-N 2 0 354.454 0.412 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000423656079 247096240 /nfs/dbraw/zinc/09/62/40/247096240.db2.gz TXWAFPSUAMOYHR-DOTOQJQBSA-N 2 0 350.507 0.907 20 0 FCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000423660058 247100124 /nfs/dbraw/zinc/10/01/24/247100124.db2.gz BZNDBZAPZOFDCD-GOSISDBHSA-N 2 0 356.470 0.837 20 0 FCADRP CN1CC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000424024730 247160304 /nfs/dbraw/zinc/16/03/04/247160304.db2.gz XSPBSHXKKSQADE-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423703608 247115720 /nfs/dbraw/zinc/11/57/20/247115720.db2.gz CEUUPKHWTMRTLE-MSOLQXFVSA-N 2 0 358.486 0.645 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)CCO1 ZINC000423716982 247123321 /nfs/dbraw/zinc/12/33/21/247123321.db2.gz ASUROBTVFCWUSA-BFYDXBDKSA-N 2 0 366.506 0.284 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423723030 247125599 /nfs/dbraw/zinc/12/55/99/247125599.db2.gz KYDVKBOVNKGIKR-JLJPHGGASA-N 2 0 362.449 0.631 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000423725001 247126649 /nfs/dbraw/zinc/12/66/49/247126649.db2.gz SCWBZZGEUUAMMA-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@@H]1C[NH3+] ZINC000423728535 247127825 /nfs/dbraw/zinc/12/78/25/247127825.db2.gz JVDDJEKGUADFLJ-NVXWUHKLSA-N 2 0 368.522 0.532 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423734423 247133342 /nfs/dbraw/zinc/13/33/42/247133342.db2.gz QXWNHLWDLWSCLA-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[C@]1(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]C1 ZINC000423740242 247134794 /nfs/dbraw/zinc/13/47/94/247134794.db2.gz IRXYXUVBISNCHB-IEBWSBKVSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423748768 247136944 /nfs/dbraw/zinc/13/69/44/247136944.db2.gz ZRMCWTCZUFXTAX-RDJZCZTQSA-N 2 0 367.538 0.057 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282773 247195024 /nfs/dbraw/zinc/19/50/24/247195024.db2.gz AKEPIQNWZWISGH-ZDUSSCGKSA-N 2 0 363.462 0.999 20 0 FCADRP COCCNC(=O)CN1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424307328 247195170 /nfs/dbraw/zinc/19/51/70/247195170.db2.gz XJZADGRGQMAJIR-INIZCTEOSA-N 2 0 352.454 0.248 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CCN1C ZINC000424490990 247238604 /nfs/dbraw/zinc/23/86/04/247238604.db2.gz BKCNHKHZAVFUAI-HZPDHXFCSA-N 2 0 350.507 0.776 20 0 FCADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424530059 247253453 /nfs/dbraw/zinc/25/34/53/247253453.db2.gz VJTLNSHBKLNZLV-PKOBYXMFSA-N 2 0 370.497 0.978 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000424456566 247225200 /nfs/dbraw/zinc/22/52/00/247225200.db2.gz PQVUZMUANSPHTH-KRWDZBQOSA-N 2 0 362.474 0.745 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536865 247254441 /nfs/dbraw/zinc/25/44/41/247254441.db2.gz BRMXRDVJXFICFJ-INDMIFKZSA-N 2 0 370.497 0.963 20 0 FCADRP CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625469 248004106 /nfs/dbraw/zinc/00/41/06/248004106.db2.gz LQGHAMBCCWWKBE-MSOLQXFVSA-N 2 0 354.539 0.923 20 0 FCADRP C[C@H]1[NH2+]CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C ZINC000436047721 248029305 /nfs/dbraw/zinc/02/93/05/248029305.db2.gz JBPLKSFRJZQBCW-IAGOWNOFSA-N 2 0 352.523 0.820 20 0 FCADRP C[C@@H](C[NH+](C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)nc(NC(C)(C)C)n1 ZINC000436704115 248048082 /nfs/dbraw/zinc/04/80/82/248048082.db2.gz JCCRYQZRUHQINM-STQMWFEESA-N 2 0 352.531 0.650 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000439240792 248117144 /nfs/dbraw/zinc/11/71/44/248117144.db2.gz XCWMBGJLBDDFLT-QZTJIDSGSA-N 2 0 355.523 0.989 20 0 FCADRP C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000440982893 248230213 /nfs/dbraw/zinc/23/02/13/248230213.db2.gz QEZPAKUQQLJUKH-MRXNPFEDSA-N 2 0 355.527 0.280 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@@](C)=O)CC1 ZINC000442714275 248293836 /nfs/dbraw/zinc/29/38/36/248293836.db2.gz JOGZYJDIBUAZLT-OYLFLEFRSA-N 2 0 358.552 0.955 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442760909 248296158 /nfs/dbraw/zinc/29/61/58/248296158.db2.gz OHKIVHOFZXBTDL-NFAWXSAZSA-N 2 0 368.503 0.050 20 0 FCADRP COc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443512296 248330380 /nfs/dbraw/zinc/33/03/80/248330380.db2.gz SXQUHWSUIYWALA-NMWPEEMBSA-N 2 0 363.510 0.938 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630470 248333795 /nfs/dbraw/zinc/33/37/95/248333795.db2.gz JXCCLMQOVTVXTC-NVXWUHKLSA-N 2 0 367.538 0.911 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)C1 ZINC000444261555 248353272 /nfs/dbraw/zinc/35/32/72/248353272.db2.gz FYCQJKQFPTXAJJ-LMMKCTJWSA-N 2 0 350.507 0.239 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000446140341 248383343 /nfs/dbraw/zinc/38/33/43/248383343.db2.gz UZRVATHCJOPBDB-HNNXBMFYSA-N 2 0 353.511 0.700 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790536 248398246 /nfs/dbraw/zinc/39/82/46/248398246.db2.gz PPGKLXGWLABERL-OAHLLOKOSA-N 2 0 351.499 0.415 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccn1 ZINC000452380720 249314792 /nfs/dbraw/zinc/31/47/92/249314792.db2.gz UGVUYGRIBHQKTE-INIZCTEOSA-N 2 0 350.463 0.599 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000452566570 249322274 /nfs/dbraw/zinc/32/22/74/249322274.db2.gz XWFUVODJJRCBTI-WCVJEAGWSA-N 2 0 352.523 0.783 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453758339 249364850 /nfs/dbraw/zinc/36/48/50/249364850.db2.gz RTONNTINAGRGAH-KRWDZBQOSA-N 2 0 362.474 0.604 20 0 FCADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)ccn1 ZINC000270728659 211256237 /nfs/dbraw/zinc/25/62/37/211256237.db2.gz YAEHKICJHUSFBT-QGZVFWFLSA-N 2 0 353.467 0.134 20 0 FCADRP NC(=O)c1csc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469862874 250009708 /nfs/dbraw/zinc/00/97/08/250009708.db2.gz BAUVFBUFYSVSRT-IUODEOHRSA-N 2 0 350.488 0.927 20 0 FCADRP CCC[C@@H](NC(N)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000470385450 250039975 /nfs/dbraw/zinc/03/99/75/250039975.db2.gz BQLXUEWSLVSQOK-MRXNPFEDSA-N 2 0 362.478 0.547 20 0 FCADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275861 250143863 /nfs/dbraw/zinc/14/38/63/250143863.db2.gz KDAPLHUOLAJDAJ-MSOLQXFVSA-N 2 0 354.539 0.972 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000472279827 250142840 /nfs/dbraw/zinc/14/28/40/250142840.db2.gz VPFCYECPCBLODO-MSOLQXFVSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000472978544 250191337 /nfs/dbraw/zinc/19/13/37/250191337.db2.gz NXNOMILXLRWFSX-ZWKOTPCHSA-N 2 0 369.554 0.765 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000473186736 250205639 /nfs/dbraw/zinc/20/56/39/250205639.db2.gz JTKOGHIHFPCJNR-UHFFFAOYSA-N 2 0 355.527 0.914 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000474034743 250266063 /nfs/dbraw/zinc/26/60/63/250266063.db2.gz PUPHIPZTVHBYPH-MRXNPFEDSA-N 2 0 355.527 0.422 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000473872048 250254177 /nfs/dbraw/zinc/25/41/77/250254177.db2.gz CHQUNLYHPYTTGP-QGZVFWFLSA-N 2 0 370.538 0.878 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000481203657 250321946 /nfs/dbraw/zinc/32/19/46/250321946.db2.gz SSRQRFYWCCPTRX-OAGGEKHMSA-N 2 0 350.507 0.990 20 0 FCADRP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000481680900 250350559 /nfs/dbraw/zinc/35/05/59/250350559.db2.gz AGSIUQZPMDULSX-INIZCTEOSA-N 2 0 359.474 0.638 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783771 250358647 /nfs/dbraw/zinc/35/86/47/250358647.db2.gz RWICOSOBYAVOGY-AEFFLSMTSA-N 2 0 369.579 0.845 20 0 FCADRP CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482009035 250374905 /nfs/dbraw/zinc/37/49/05/250374905.db2.gz UAKSVXUCJBFEDP-HIFRSBDPSA-N 2 0 362.540 0.093 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[N@H+](C)C1 ZINC000413069165 532990720 /nfs/dbraw/zinc/99/07/20/532990720.db2.gz YNPWSPFYXFWOHW-MRXNPFEDSA-N 2 0 354.495 0.855 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+](C)C1 ZINC000413483318 532996137 /nfs/dbraw/zinc/99/61/37/532996137.db2.gz AAPNEKUQEGLKGE-ZBFHGGJFSA-N 2 0 352.479 0.750 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000073639702 208049059 /nfs/dbraw/zinc/04/90/59/208049059.db2.gz PRBCVEMBTNQZBR-UHFFFAOYSA-N 2 0 373.545 0.801 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077622052 208072109 /nfs/dbraw/zinc/07/21/09/208072109.db2.gz QJBKXXYYNQBLGJ-MRXNPFEDSA-N 2 0 356.511 0.707 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000092587469 208145922 /nfs/dbraw/zinc/14/59/22/208145922.db2.gz KMAOINRRTJYRBM-GASCZTMLSA-N 2 0 364.490 0.405 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000105323356 208197542 /nfs/dbraw/zinc/19/75/42/208197542.db2.gz OLRQIVDOHXXCJD-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867647 208287577 /nfs/dbraw/zinc/28/75/77/208287577.db2.gz JEUHVLZQWGWKNV-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CCS(=O)(=O)NCCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000119235994 208357276 /nfs/dbraw/zinc/35/72/76/208357276.db2.gz DZNUKZGPSZLTTG-UHFFFAOYSA-N 2 0 361.431 0.952 20 0 FCADRP C[NH+](C)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000118093510 208348464 /nfs/dbraw/zinc/34/84/64/208348464.db2.gz OBJZVQRTYVQOTL-UHFFFAOYSA-N 2 0 373.501 0.835 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000120779836 208391764 /nfs/dbraw/zinc/39/17/64/208391764.db2.gz YRGROOQQAJSFEV-PKOBYXMFSA-N 2 0 364.490 0.672 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000178647484 209056076 /nfs/dbraw/zinc/05/60/76/209056076.db2.gz NEXKCEYPGVLEFO-MRXNPFEDSA-N 2 0 367.465 0.955 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413075487 533477281 /nfs/dbraw/zinc/47/72/81/533477281.db2.gz PPHRZYFXJMTQGC-XHSDSOJGSA-N 2 0 370.494 0.232 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000413116851 533481543 /nfs/dbraw/zinc/48/15/43/533481543.db2.gz HZJDOAWDCPSYFO-KRWDZBQOSA-N 2 0 362.474 0.994 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC[N@H+](C)C1 ZINC000413456979 533482437 /nfs/dbraw/zinc/48/24/37/533482437.db2.gz KTDCJEXGYVCONY-HOTGVXAUSA-N 2 0 354.495 0.997 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCCN1CC[NH2+]CC1 ZINC000238100826 229276564 /nfs/dbraw/zinc/27/65/64/229276564.db2.gz IOJGJOJQAQEBHH-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000410463302 230087513 /nfs/dbraw/zinc/08/75/13/230087513.db2.gz AOXFFDGAKRTVNE-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410470358 230091021 /nfs/dbraw/zinc/09/10/21/230091021.db2.gz DJRNPUKYPJYEHV-INIZCTEOSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410470359 230091492 /nfs/dbraw/zinc/09/14/92/230091492.db2.gz DJRNPUKYPJYEHV-MRXNPFEDSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000410477747 230095154 /nfs/dbraw/zinc/09/51/54/230095154.db2.gz VXFXMXSPCFJCLD-INIZCTEOSA-N 2 0 366.506 0.110 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410501585 230108223 /nfs/dbraw/zinc/10/82/23/230108223.db2.gz CWNZJVWAAFZVIG-UHFFFAOYSA-N 2 0 356.511 0.213 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410505616 230109744 /nfs/dbraw/zinc/10/97/44/230109744.db2.gz VPDXDDGEFQOCHZ-MRXNPFEDSA-N 2 0 354.495 0.110 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410732264 230223466 /nfs/dbraw/zinc/22/34/66/230223466.db2.gz KERJKIJCKDNWPN-HNNXBMFYSA-N 2 0 366.506 0.251 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000410732888 230225974 /nfs/dbraw/zinc/22/59/74/230225974.db2.gz TVQZRWHLZZSBEE-SJORKVTESA-N 2 0 367.538 0.023 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410736635 230226781 /nfs/dbraw/zinc/22/67/81/230226781.db2.gz OLXNRODWTXDGGF-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410736632 230227146 /nfs/dbraw/zinc/22/71/46/230227146.db2.gz OLXNRODWTXDGGF-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779691 230245555 /nfs/dbraw/zinc/24/55/55/230245555.db2.gz MAMAKDWJFMJFOU-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779692 230245645 /nfs/dbraw/zinc/24/56/45/230245645.db2.gz MAMAKDWJFMJFOU-HOTGVXAUSA-N 2 0 350.507 0.872 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000410924094 230306357 /nfs/dbraw/zinc/30/63/57/230306357.db2.gz CTMPMAMYBCQGHR-GOSISDBHSA-N 2 0 364.534 0.977 20 0 FCADRP OC[C@H]1CC[C@H](CO)[NH+]1Cc1cccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287454797 488871471 /nfs/dbraw/zinc/87/14/71/488871471.db2.gz QVVHWHUTWUVYBC-UAFMIMERSA-N 2 0 364.486 0.322 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000507139143 484322565 /nfs/dbraw/zinc/32/25/65/484322565.db2.gz DHAGYUOWVYWASX-UHFFFAOYSA-N 2 0 372.429 0.433 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312041187 488895281 /nfs/dbraw/zinc/89/52/81/488895281.db2.gz WHQILHXQHIXDBD-ROUUACIJSA-N 2 0 356.470 0.399 20 0 FCADRP O[C@@H](COC1CCOCC1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364016015 488913476 /nfs/dbraw/zinc/91/34/76/488913476.db2.gz VUDWFLRVBWTLRO-GOSISDBHSA-N 2 0 356.507 0.977 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327013918 488918160 /nfs/dbraw/zinc/91/81/60/488918160.db2.gz GDCLKUBITZICLM-JYJNAYRXSA-N 2 0 354.495 0.108 20 0 FCADRP O=C([C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000562805127 491190649 /nfs/dbraw/zinc/19/06/49/491190649.db2.gz YDCVNFZOOJLEMQ-ROUUACIJSA-N 2 0 356.470 0.371 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051959446 488152559 /nfs/dbraw/zinc/15/25/59/488152559.db2.gz DLRYZOADLSWMEG-INIZCTEOSA-N 2 0 366.506 0.110 20 0 FCADRP Cc1nccn1CCN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000329070980 488965969 /nfs/dbraw/zinc/96/59/69/488965969.db2.gz YSGJCHHXAJZFLY-GASCZTMLSA-N 2 0 371.507 0.163 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000066102841 488324968 /nfs/dbraw/zinc/32/49/68/488324968.db2.gz FLDKHGUYZMXGGT-OAHLLOKOSA-N 2 0 357.524 0.765 20 0 FCADRP CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000562821342 491192843 /nfs/dbraw/zinc/19/28/43/491192843.db2.gz OCMZHGJSHCWWHF-ZWKOTPCHSA-N 2 0 373.501 0.041 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609286 488353271 /nfs/dbraw/zinc/35/32/71/488353271.db2.gz JJGRFPCVLZJVNK-ZWKOTPCHSA-N 2 0 370.538 0.735 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1=O ZINC000072827089 488382986 /nfs/dbraw/zinc/38/29/86/488382986.db2.gz JYJOZKUKUMCGRO-QZTJIDSGSA-N 2 0 360.502 0.686 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000073594083 488385095 /nfs/dbraw/zinc/38/50/95/488385095.db2.gz JWSSWRHHJHEBAC-KRWDZBQOSA-N 2 0 369.554 0.765 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098357 488387394 /nfs/dbraw/zinc/38/73/94/488387394.db2.gz SBGRQLNPFSKSMZ-KZNAEPCWSA-N 2 0 367.538 0.422 20 0 FCADRP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182968067 488390549 /nfs/dbraw/zinc/39/05/49/488390549.db2.gz LNECNYUMPTYCHB-INIZCTEOSA-N 2 0 368.522 0.356 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000074345362 488390877 /nfs/dbraw/zinc/39/08/77/488390877.db2.gz SKRDNLXZFGZUOO-MRXNPFEDSA-N 2 0 351.495 0.311 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000074345363 488391190 /nfs/dbraw/zinc/39/11/90/488391190.db2.gz DQYIQAXKTJEUCK-DLBZAZTESA-N 2 0 365.522 0.844 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335638 491195540 /nfs/dbraw/zinc/19/55/40/491195540.db2.gz ZCZAQQJLLBQKSQ-CRAIPNDOSA-N 2 0 372.513 0.801 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000187372491 488409949 /nfs/dbraw/zinc/40/99/49/488409949.db2.gz OMUDJVHOPSQGQH-IRXDYDNUSA-N 2 0 356.511 0.368 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000077771644 488417679 /nfs/dbraw/zinc/41/76/79/488417679.db2.gz OINGJILUZSIAKF-UHFFFAOYSA-N 2 0 364.490 0.883 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000077801166 488418095 /nfs/dbraw/zinc/41/80/95/488418095.db2.gz RCMKRMKQFSTLDQ-ZDUSSCGKSA-N 2 0 353.433 0.758 20 0 FCADRP Cc1nc(CN2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000191573224 488420544 /nfs/dbraw/zinc/42/05/44/488420544.db2.gz DGGRNNLVWBDAOZ-UHFFFAOYSA-N 2 0 350.511 0.912 20 0 FCADRP C[C@@H]1COCCN1CC[N@H+]1CCN(CCN2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423992 /nfs/dbraw/zinc/42/39/92/488423992.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 0 368.566 0.824 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081293008 488440379 /nfs/dbraw/zinc/44/03/79/488440379.db2.gz AATXDAULLJOKQF-QGZVFWFLSA-N 2 0 352.523 0.975 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000236840400 488453987 /nfs/dbraw/zinc/45/39/87/488453987.db2.gz APWSQDPVIARUCA-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246549836 488473412 /nfs/dbraw/zinc/47/34/12/488473412.db2.gz XDWXHFFPFIQMIO-GJZGRUSLSA-N 2 0 364.494 0.620 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269290987 488487655 /nfs/dbraw/zinc/48/76/55/488487655.db2.gz KZUDSPIRZMYRNJ-DLBZAZTESA-N 2 0 366.893 0.691 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000248003072 488492732 /nfs/dbraw/zinc/49/27/32/488492732.db2.gz KOXKWTWCXGUHGI-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000248636922 488499820 /nfs/dbraw/zinc/49/98/20/488499820.db2.gz QMXGSHDXTWMARW-ULQDDVLXSA-N 2 0 368.522 0.584 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000103212425 488500682 /nfs/dbraw/zinc/50/06/82/488500682.db2.gz KFUVUROQNZDRMP-MRXNPFEDSA-N 2 0 361.490 0.382 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103614544 488503036 /nfs/dbraw/zinc/50/30/36/488503036.db2.gz OADFRLYMWIRXQW-KRWDZBQOSA-N 2 0 367.538 0.912 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922270 491203384 /nfs/dbraw/zinc/20/33/84/491203384.db2.gz FMAIJCMRMYIFDP-SJORKVTESA-N 2 0 356.474 0.933 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779731 488505816 /nfs/dbraw/zinc/50/58/16/488505816.db2.gz XCWHCLDLCPMMAP-AWEZNQCLSA-N 2 0 351.495 0.500 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104778523 488505899 /nfs/dbraw/zinc/50/58/99/488505899.db2.gz IWQDGCNDDQGASF-OAHLLOKOSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249119847 488506851 /nfs/dbraw/zinc/50/68/51/488506851.db2.gz PHQDTGHRFOKRDM-SJORKVTESA-N 2 0 370.538 0.830 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107371348 488517417 /nfs/dbraw/zinc/51/74/17/488517417.db2.gz BDGMZESVCNLZMV-SFHVURJKSA-N 3 0 351.539 0.299 20 0 FCADRP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261600121 488527065 /nfs/dbraw/zinc/52/70/65/488527065.db2.gz AYKQUQJQKOICLW-HNNXBMFYSA-N 2 0 350.438 0.571 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1=O ZINC000261610560 488527084 /nfs/dbraw/zinc/52/70/84/488527084.db2.gz BWMXGVRIMZSGBE-KSZLIROESA-N 2 0 358.486 0.597 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000261674067 488529975 /nfs/dbraw/zinc/52/99/75/488529975.db2.gz GMYLKFLVUBGOOF-MOPGFXCFSA-N 2 0 360.502 0.817 20 0 FCADRP CC(C)[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCN(C)CC1 ZINC000111812442 488531758 /nfs/dbraw/zinc/53/17/58/488531758.db2.gz DZYKLPGLJFZVSL-GOSISDBHSA-N 2 0 369.554 0.262 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000271627962 488532570 /nfs/dbraw/zinc/53/25/70/488532570.db2.gz FAZBHOCZLGYKFA-UHFFFAOYSA-N 2 0 362.478 0.689 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757806 488534831 /nfs/dbraw/zinc/53/48/31/488534831.db2.gz JLLXFRLCABSKDO-DLBZAZTESA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271649270 488534960 /nfs/dbraw/zinc/53/49/60/488534960.db2.gz FTBJMNXKVFUATK-LSDHHAIUSA-N 2 0 354.520 0.868 20 0 FCADRP C[C@H](C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)CN1CC[NH+](C)CC1 ZINC000271649268 488534978 /nfs/dbraw/zinc/53/49/78/488534978.db2.gz FTBJMNXKVFUATK-HUUCEWRRSA-N 2 0 354.520 0.868 20 0 FCADRP C[NH+]1CCN(CCNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000116719542 488548392 /nfs/dbraw/zinc/54/83/92/488548392.db2.gz MWNAJVMDEQXOEI-UHFFFAOYSA-N 2 0 373.545 0.952 20 0 FCADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262076664 488549397 /nfs/dbraw/zinc/54/93/97/488549397.db2.gz PYWXFUPXQCYDHM-HXUWFJFHSA-N 2 0 371.529 0.948 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000271837849 488549492 /nfs/dbraw/zinc/54/94/92/488549492.db2.gz YBYJBEYKXYRTBS-ZDUSSCGKSA-N 2 0 350.467 0.545 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000271896320 488552865 /nfs/dbraw/zinc/55/28/65/488552865.db2.gz NXDDACIEYQMSRI-UHFFFAOYSA-N 2 0 360.458 0.944 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000120519659 488561740 /nfs/dbraw/zinc/56/17/40/488561740.db2.gz ZAYITMOPVYLZNO-PKOBYXMFSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262299479 488562563 /nfs/dbraw/zinc/56/25/63/488562563.db2.gz XGUSWVSKMIXPDO-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262330407 488564210 /nfs/dbraw/zinc/56/42/10/488564210.db2.gz GPLNBEVXVUVIRC-MRXNPFEDSA-N 2 0 365.499 0.544 20 0 FCADRP [NH3+]CC(=O)NCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000262381077 488567524 /nfs/dbraw/zinc/56/75/24/488567524.db2.gz KKWBSGYWDYNBTM-UHFFFAOYSA-N 2 0 361.446 0.515 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)CC1 ZINC000262441608 488570727 /nfs/dbraw/zinc/57/07/27/488570727.db2.gz VAACIHNYXSSZKL-KRWDZBQOSA-N 2 0 360.458 0.701 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262453072 488570816 /nfs/dbraw/zinc/57/08/16/488570816.db2.gz WFCRQYZAFPLTFH-JKSUJKDBSA-N 2 0 360.458 0.701 20 0 FCADRP C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccn2)C1)C[NH+]1CCN(C)CC1 ZINC000122469568 488578803 /nfs/dbraw/zinc/57/88/03/488578803.db2.gz BWWBGWKRRVWOPQ-DLBZAZTESA-N 2 0 360.506 0.843 20 0 FCADRP COCCN1CC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000272464127 488582603 /nfs/dbraw/zinc/58/26/03/488582603.db2.gz QHWIKFRGCMKXSA-UHFFFAOYSA-N 2 0 361.446 0.504 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1(C)C ZINC000262782737 488593185 /nfs/dbraw/zinc/59/31/85/488593185.db2.gz LKEKJZKXEOKIGY-KXBFYZLASA-N 2 0 366.506 0.286 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262897046 488598273 /nfs/dbraw/zinc/59/82/73/488598273.db2.gz PDIBZIZZCJXQAH-IAGOWNOFSA-N 2 0 362.474 0.364 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263262396 488607893 /nfs/dbraw/zinc/60/78/93/488607893.db2.gz SYVSMIQWJZXIOF-KRWDZBQOSA-N 2 0 363.462 0.615 20 0 FCADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127809933 488619905 /nfs/dbraw/zinc/61/99/05/488619905.db2.gz FVMDDUPEWOKNOA-GJZGRUSLSA-N 2 0 354.520 0.881 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563077663 491213211 /nfs/dbraw/zinc/21/32/11/491213211.db2.gz NFCPHUOPTBOSJA-KBAYOESNSA-N 2 0 358.486 0.881 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000130522854 488638197 /nfs/dbraw/zinc/63/81/97/488638197.db2.gz AGTUQBDYOXQHKK-UHFFFAOYSA-N 2 0 372.473 0.763 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000130554084 488638517 /nfs/dbraw/zinc/63/85/17/488638517.db2.gz NHMJLFFCJGOHPT-UHFFFAOYSA-N 2 0 360.380 0.994 20 0 FCADRP CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000263965176 488639668 /nfs/dbraw/zinc/63/96/68/488639668.db2.gz RWKMOYUZAUGZIJ-UHFFFAOYSA-N 2 0 374.507 0.533 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000136644628 488678738 /nfs/dbraw/zinc/67/87/38/488678738.db2.gz KIRZILYOKFWUFL-QGZVFWFLSA-N 2 0 363.506 0.561 20 0 FCADRP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137121039 488680230 /nfs/dbraw/zinc/68/02/30/488680230.db2.gz YLZKMLRSSCKIQB-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000264522520 488681961 /nfs/dbraw/zinc/68/19/61/488681961.db2.gz WKHRUZKODMGMGE-LJQANCHMSA-N 2 0 360.502 0.885 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000570113995 491217685 /nfs/dbraw/zinc/21/76/85/491217685.db2.gz MMSXRFPFLPFVOY-UHFFFAOYSA-N 2 0 363.510 0.580 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC(F)(F)CO ZINC000274373963 488702318 /nfs/dbraw/zinc/70/23/18/488702318.db2.gz LKGROMDJPLFRAH-UHFFFAOYSA-N 2 0 357.405 0.521 20 0 FCADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC(=O)NCC(F)(F)F ZINC000151336875 488703887 /nfs/dbraw/zinc/70/38/87/488703887.db2.gz RGHXGMGEKGABOZ-UHFFFAOYSA-N 2 0 359.352 0.982 20 0 FCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)CNC(=O)C[NH3+])cc1OC ZINC000274432374 488707777 /nfs/dbraw/zinc/70/77/77/488707777.db2.gz NZBCTEJORVRIDO-UHFFFAOYSA-N 2 0 366.462 0.107 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCC(C)CC1 ZINC000152073855 488713350 /nfs/dbraw/zinc/71/33/50/488713350.db2.gz LTIYXAWOWPBVRD-HNNXBMFYSA-N 2 0 364.494 0.620 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152395899 488716980 /nfs/dbraw/zinc/71/69/80/488716980.db2.gz JEDZPRJLKWTBNY-AWEZNQCLSA-N 2 0 368.503 0.936 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000570077727 491215009 /nfs/dbraw/zinc/21/50/09/491215009.db2.gz OLCZKCVMAMXLNA-BSDSXHPESA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000570077724 491215025 /nfs/dbraw/zinc/21/50/25/491215025.db2.gz OLCZKCVMAMXLNA-BRSBDYLESA-N 2 0 362.518 0.777 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000266079759 488722950 /nfs/dbraw/zinc/72/29/50/488722950.db2.gz GMLXBOFZIOQXMV-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000153248405 488729379 /nfs/dbraw/zinc/72/93/79/488729379.db2.gz JWYRWGIOPSLEGU-OAHLLOKOSA-N 2 0 364.494 0.620 20 0 FCADRP CN(C(=O)COCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153429800 488730658 /nfs/dbraw/zinc/73/06/58/488730658.db2.gz PVWUBWPNDUYJEI-IYBDPMFKSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000153575104 488732365 /nfs/dbraw/zinc/73/23/65/488732365.db2.gz WCVIWVORUYRCKT-WBVHZDCISA-N 2 0 354.495 0.459 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000153574667 488732469 /nfs/dbraw/zinc/73/24/69/488732469.db2.gz UWIWLOYLNZINDA-HNNXBMFYSA-N 2 0 362.478 0.328 20 0 FCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154011625 488737533 /nfs/dbraw/zinc/73/75/33/488737533.db2.gz FQXKPTCXXJHUIW-OAHLLOKOSA-N 2 0 364.494 0.574 20 0 FCADRP CCN1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000155211483 488752879 /nfs/dbraw/zinc/75/28/79/488752879.db2.gz JIPOXZKFSRWKSN-UHFFFAOYSA-N 2 0 374.489 0.467 20 0 FCADRP CC[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[NH+](C)C ZINC000155317106 488754305 /nfs/dbraw/zinc/75/43/05/488754305.db2.gz SNSJAGJNLQCMAX-HNNXBMFYSA-N 2 0 362.478 0.302 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155484341 488755803 /nfs/dbraw/zinc/75/58/03/488755803.db2.gz ZSUAALXFLQXPHS-GOSISDBHSA-N 2 0 352.523 0.726 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000563141097 491220491 /nfs/dbraw/zinc/22/04/91/491220491.db2.gz BAGUAUKVKPPKKO-GOSISDBHSA-N 2 0 358.486 0.919 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155615283 488757176 /nfs/dbraw/zinc/75/71/76/488757176.db2.gz OCOSNZYGVHHJTH-SJLPKXTDSA-N 2 0 352.523 0.630 20 0 FCADRP CC(=O)N[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710377 488773200 /nfs/dbraw/zinc/77/32/00/488773200.db2.gz XDVAVJAQGVYNFD-ROUUACIJSA-N 2 0 366.506 0.204 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000267421419 488785069 /nfs/dbraw/zinc/78/50/69/488785069.db2.gz ZOSREOFFIHTQCZ-MRXNPFEDSA-N 2 0 362.474 0.832 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563151958 491222193 /nfs/dbraw/zinc/22/21/93/491222193.db2.gz BJAHOTHETDJQQO-IAGOWNOFSA-N 2 0 366.506 0.252 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000162679566 488804387 /nfs/dbraw/zinc/80/43/87/488804387.db2.gz DMRXJLLLLBKMBD-IBGZPJMESA-N 2 0 359.518 0.932 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171203811 488821158 /nfs/dbraw/zinc/82/11/58/488821158.db2.gz OWCDEHQQDOLUSL-UHFFFAOYSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000171658308 488825586 /nfs/dbraw/zinc/82/55/86/488825586.db2.gz PGZHRLQZSXXMOX-HZPDHXFCSA-N 2 0 352.523 0.881 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH+](C)C)c(C)c2)CC1 ZINC000172301385 488832152 /nfs/dbraw/zinc/83/21/52/488832152.db2.gz ZQVRVNVZZGTKLY-UHFFFAOYSA-N 2 0 361.490 0.753 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172292976 488832198 /nfs/dbraw/zinc/83/21/98/488832198.db2.gz XTSDHUFDUHZVTD-HNNXBMFYSA-N 2 0 362.474 0.976 20 0 FCADRP COc1cc(F)c(F)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570192616 491223941 /nfs/dbraw/zinc/22/39/41/491223941.db2.gz LAUPPRNZSNEDKU-UHFFFAOYSA-N 2 0 372.416 0.864 20 0 FCADRP Cc1cc(N2CC[C@H]([N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173682377 488844615 /nfs/dbraw/zinc/84/46/15/488844615.db2.gz LNGVENHOMPSEAW-WBVHZDCISA-N 2 0 363.506 0.858 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000174292344 488848497 /nfs/dbraw/zinc/84/84/97/488848497.db2.gz NUABXLTUTJFOMJ-ROUUACIJSA-N 2 0 351.539 0.997 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000175573070 488854338 /nfs/dbraw/zinc/85/43/38/488854338.db2.gz GNLZDOSQGYQCSE-CALCHBBNSA-N 2 0 369.554 0.811 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175551647 488854418 /nfs/dbraw/zinc/85/44/18/488854418.db2.gz NPSQNUOOOWZKGO-GOSISDBHSA-N 2 0 369.554 0.668 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000175573111 488854519 /nfs/dbraw/zinc/85/45/19/488854519.db2.gz GNLZDOSQGYQCSE-IAGOWNOFSA-N 2 0 369.554 0.811 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000176013648 488857059 /nfs/dbraw/zinc/85/70/59/488857059.db2.gz HTMXGOLJJSDLLT-WMZOPIPTSA-N 2 0 354.539 0.779 20 0 FCADRP COCC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000288364174 488974437 /nfs/dbraw/zinc/97/44/37/488974437.db2.gz OHKSFGBJIRELQW-MRXNPFEDSA-N 2 0 361.446 0.551 20 0 FCADRP COCC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281304938 489066115 /nfs/dbraw/zinc/06/61/15/489066115.db2.gz UGECEDHVQDBNDO-INIZCTEOSA-N 2 0 365.478 0.290 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CCCO1 ZINC000365473338 489079061 /nfs/dbraw/zinc/07/90/61/489079061.db2.gz ZXTKVPYTVIIKRV-IXDOHACOSA-N 2 0 354.495 0.650 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298783 489088775 /nfs/dbraw/zinc/08/87/75/489088775.db2.gz HPKVNYGUGLDDAY-CVEARBPZSA-N 2 0 366.506 0.108 20 0 FCADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000330311767 489090122 /nfs/dbraw/zinc/09/01/22/489090122.db2.gz VZOMTNMLGNGIFG-CHWSQXEVSA-N 2 0 360.462 0.750 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000289875593 489099630 /nfs/dbraw/zinc/09/96/30/489099630.db2.gz LXQADADDEHTCAW-KRWDZBQOSA-N 2 0 362.474 0.331 20 0 FCADRP CN(CCOCCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000282078564 489131642 /nfs/dbraw/zinc/13/16/42/489131642.db2.gz BZHSAWKDPMSKMN-UHFFFAOYSA-N 2 0 365.478 0.244 20 0 FCADRP CN(C)CCN(C(=O)[C@H]1CCCc2nccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000365995727 489133387 /nfs/dbraw/zinc/13/33/87/489133387.db2.gz GKUFYBJJCSSQOR-ZIAGYGMSSA-N 2 0 354.476 0.338 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290415929 489138261 /nfs/dbraw/zinc/13/82/61/489138261.db2.gz JJSADDJFZSOVGC-JKSUJKDBSA-N 2 0 359.474 0.625 20 0 FCADRP CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCn3cncc3C2)cc1 ZINC000290422106 489138640 /nfs/dbraw/zinc/13/86/40/489138640.db2.gz VJJMQZKWQWXJSX-UHFFFAOYSA-N 2 0 370.413 0.364 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000366173954 489154917 /nfs/dbraw/zinc/15/49/17/489154917.db2.gz NHMQRVYTSDYJBH-CVEARBPZSA-N 2 0 374.485 0.752 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000290640318 489154998 /nfs/dbraw/zinc/15/49/98/489154998.db2.gz RDJOKJYRFLTNIE-YTQUADARSA-N 2 0 374.485 0.761 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000366400513 489177633 /nfs/dbraw/zinc/17/76/33/489177633.db2.gz RHUFUMYLLVJINX-IRXDYDNUSA-N 2 0 353.507 0.935 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000331372561 489203273 /nfs/dbraw/zinc/20/32/73/489203273.db2.gz FFNQCWMKFPIYGA-ZACQAIPSSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408586 489207685 /nfs/dbraw/zinc/20/76/85/489207685.db2.gz IWHNYXGFSNBGMU-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP CN1CCN(C(=O)c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2)CC1 ZINC000555136358 491239526 /nfs/dbraw/zinc/23/95/26/491239526.db2.gz VSXXZVGAVOEGHA-LJQANCHMSA-N 3 0 360.502 0.619 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000331449711 489213230 /nfs/dbraw/zinc/21/32/30/489213230.db2.gz YZFPJJBYEFCKHJ-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000283193318 489225588 /nfs/dbraw/zinc/22/55/88/489225588.db2.gz APXAJRWKCRTXMP-CYBMUJFWSA-N 2 0 356.492 0.161 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297698985 489226027 /nfs/dbraw/zinc/22/60/27/489226027.db2.gz HMKBUMNXPROEEU-INIZCTEOSA-N 2 0 360.458 0.643 20 0 FCADRP CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000332776110 489228886 /nfs/dbraw/zinc/22/88/86/489228886.db2.gz FGOWAPIYRGEEAL-HOTGVXAUSA-N 2 0 372.535 0.179 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)CC1 ZINC000332779374 489229468 /nfs/dbraw/zinc/22/94/68/489229468.db2.gz QNPSFVDZDZMMGC-ZHALLVOQSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C ZINC000332871730 489241240 /nfs/dbraw/zinc/24/12/40/489241240.db2.gz RWSPTQJYOUCURD-CYGHRXIMSA-N 2 0 368.522 0.461 20 0 FCADRP C[C@H](CN1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332976406 489253255 /nfs/dbraw/zinc/25/32/55/489253255.db2.gz HPPGTXUEPGOSLH-HYVNUMGLSA-N 2 0 354.495 0.384 20 0 FCADRP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000563404588 491242782 /nfs/dbraw/zinc/24/27/82/491242782.db2.gz YNBUSCLLHRWIHH-SOLBZPMBSA-N 2 0 360.502 0.937 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501163 491245003 /nfs/dbraw/zinc/24/50/03/491245003.db2.gz LBVKPRFNVDCQEJ-NVXWUHKLSA-N 2 0 359.474 0.238 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000298034888 489280376 /nfs/dbraw/zinc/28/03/76/489280376.db2.gz ODLCSBUCBKIEGL-INIZCTEOSA-N 2 0 364.490 0.970 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369860790 489283432 /nfs/dbraw/zinc/28/34/32/489283432.db2.gz HPWRTSMXFGJVBH-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863060 489283552 /nfs/dbraw/zinc/28/35/52/489283552.db2.gz QKTDWZGDZMDXIS-SJORKVTESA-N 2 0 353.511 0.176 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863059 489284040 /nfs/dbraw/zinc/28/40/40/489284040.db2.gz QKTDWZGDZMDXIS-IRXDYDNUSA-N 2 0 353.511 0.176 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000283662110 489288026 /nfs/dbraw/zinc/28/80/26/489288026.db2.gz ZPQJTSLDKVTWQI-SFHVURJKSA-N 2 0 358.486 0.931 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000283704965 489293670 /nfs/dbraw/zinc/29/36/70/489293670.db2.gz IUDGIPHVAGOKJF-UHFFFAOYSA-N 2 0 360.502 0.660 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370068296 489313171 /nfs/dbraw/zinc/31/31/71/489313171.db2.gz WQNDFXRNVAOTGU-IAGOWNOFSA-N 2 0 374.485 0.975 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1(C)C ZINC000370250161 489334838 /nfs/dbraw/zinc/33/48/38/489334838.db2.gz GUDYMENPMUXPTB-QGZVFWFLSA-N 2 0 352.523 0.772 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286069435 489352743 /nfs/dbraw/zinc/35/27/43/489352743.db2.gz MEIRCHSMJOGFBV-SFHVURJKSA-N 2 0 372.517 0.100 20 0 FCADRP COC(=O)[C@@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)[C@H](C(=O)OC)C3)COC2)C[C@H]1C ZINC000370560816 489375178 /nfs/dbraw/zinc/37/51/78/489375178.db2.gz FRWSKNIBFUKOBJ-KLHDSHLOSA-N 2 0 368.474 0.485 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000563558356 491254715 /nfs/dbraw/zinc/25/47/15/491254715.db2.gz MVHDZWVLRQWVOP-GJZGRUSLSA-N 2 0 354.495 0.060 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@H](C)C1 ZINC000570629360 491254027 /nfs/dbraw/zinc/25/40/27/491254027.db2.gz AJHWMZPACGIWTR-HUUCEWRRSA-N 2 0 352.483 0.494 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000563459818 491249283 /nfs/dbraw/zinc/24/92/83/491249283.db2.gz ZHKHEPSEJJQXJM-MSOLQXFVSA-N 2 0 358.486 0.615 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021575 489438804 /nfs/dbraw/zinc/43/88/04/489438804.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000299425728 489440247 /nfs/dbraw/zinc/44/02/47/489440247.db2.gz KNIZTLUXVKZWIH-UHFFFAOYSA-N 2 0 373.505 0.937 20 0 FCADRP CC(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000299544113 489453609 /nfs/dbraw/zinc/45/36/09/489453609.db2.gz JZAOYUVHKICVHJ-GOSISDBHSA-N 2 0 373.501 0.968 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000287041526 489454807 /nfs/dbraw/zinc/45/48/07/489454807.db2.gz LCNZYEOVVQZTQU-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP COC(=O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299560184 489456246 /nfs/dbraw/zinc/45/62/46/489456246.db2.gz ZOTFSIIKSCRUTE-UHFFFAOYSA-N 2 0 363.462 0.846 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000563566116 491255159 /nfs/dbraw/zinc/25/51/59/491255159.db2.gz ABHCKRSTFBNXJI-OTWHNJEPSA-N 2 0 357.502 0.836 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CC(N)=O)CC3)C2)CC1 ZINC000363408275 489463712 /nfs/dbraw/zinc/46/37/12/489463712.db2.gz PXJWJFHEAFUYBG-HNNXBMFYSA-N 2 0 351.495 0.452 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000363443111 489467640 /nfs/dbraw/zinc/46/76/40/489467640.db2.gz CBMUGXNXIDMHJV-SJLPKXTDSA-N 2 0 351.539 0.996 20 0 FCADRP C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(CC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000287229183 489471284 /nfs/dbraw/zinc/47/12/84/489471284.db2.gz PEMLQKUGARSDKV-HOTGVXAUSA-N 2 0 362.518 0.904 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000563581506 491256197 /nfs/dbraw/zinc/25/61/97/491256197.db2.gz QAVWOXDZTQNYFA-LJQANCHMSA-N 2 0 371.529 0.775 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595201 491256859 /nfs/dbraw/zinc/25/68/59/491256859.db2.gz RVRRUAHBONLAJV-UHFFFAOYSA-N 2 0 351.451 0.175 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000371639042 489491566 /nfs/dbraw/zinc/49/15/66/489491566.db2.gz BDMYFEKYDHHWNV-MRXNPFEDSA-N 2 0 351.495 0.465 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000371654444 489492785 /nfs/dbraw/zinc/49/27/85/489492785.db2.gz RSKKGDNYGINSQI-KRWDZBQOSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423094912 489493041 /nfs/dbraw/zinc/49/30/41/489493041.db2.gz KYTVZQRJNFDNQV-UHFFFAOYSA-N 2 0 364.465 0.926 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423128124 489495649 /nfs/dbraw/zinc/49/56/49/489495649.db2.gz KEXDFZIKHLPPPB-INIZCTEOSA-N 2 0 356.511 0.389 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423135086 489496325 /nfs/dbraw/zinc/49/63/25/489496325.db2.gz SLUUKRAGYMXIJZ-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423163636 489498337 /nfs/dbraw/zinc/49/83/37/489498337.db2.gz NCTTWBLNLLHCIC-QGZVFWFLSA-N 2 0 359.474 0.326 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)o1 ZINC000423171088 489499637 /nfs/dbraw/zinc/49/96/37/489499637.db2.gz NLLQZUZMQSUWPR-ZIAGYGMSSA-N 2 0 350.463 0.687 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)o1 ZINC000423172947 489499873 /nfs/dbraw/zinc/49/98/73/489499873.db2.gz WBOYPQZZLKRCNS-SFHVURJKSA-N 2 0 350.463 0.676 20 0 FCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423175298 489500401 /nfs/dbraw/zinc/50/04/01/489500401.db2.gz DMXPOPJYPFIUBV-HNNXBMFYSA-N 2 0 354.520 0.883 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423196030 489501369 /nfs/dbraw/zinc/50/13/69/489501369.db2.gz UJIIQEJZDRBCQQ-CALCHBBNSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423202240 489502174 /nfs/dbraw/zinc/50/21/74/489502174.db2.gz QKDGVABYBDDYHX-KDURUIRLSA-N 2 0 372.513 0.687 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423219444 489504687 /nfs/dbraw/zinc/50/46/87/489504687.db2.gz WSOXYJGJYDDOFC-HZPDHXFCSA-N 2 0 354.495 0.143 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000423230789 489505668 /nfs/dbraw/zinc/50/56/68/489505668.db2.gz KCKUJECSNVXZDK-IBGZPJMESA-N 2 0 372.513 0.974 20 0 FCADRP C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000414590893 489506581 /nfs/dbraw/zinc/50/65/81/489506581.db2.gz ARERHJCMDYLVBU-JKSUJKDBSA-N 2 0 368.522 0.090 20 0 FCADRP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000563633242 491259676 /nfs/dbraw/zinc/25/96/76/491259676.db2.gz PENUKGCUJMACCM-UHFFFAOYSA-N 2 0 370.563 0.969 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423260668 489508361 /nfs/dbraw/zinc/50/83/61/489508361.db2.gz HZGNJPOZAINMAY-CRAIPNDOSA-N 2 0 358.486 0.915 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000423292382 489512009 /nfs/dbraw/zinc/51/20/09/489512009.db2.gz MTYILVDDQUOQSU-HXUWFJFHSA-N 2 0 358.486 0.918 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415371710 489515969 /nfs/dbraw/zinc/51/59/69/489515969.db2.gz FOFYYOPTLBRUOW-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000415429502 489520213 /nfs/dbraw/zinc/52/02/13/489520213.db2.gz IMPLVTBFDCBXQM-OAHLLOKOSA-N 2 0 359.474 0.193 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1OCC[NH+](C)C ZINC000415447078 489521891 /nfs/dbraw/zinc/52/18/91/489521891.db2.gz UBWNIKZCIGTNFH-OAHLLOKOSA-N 2 0 350.463 0.973 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415520032 489526756 /nfs/dbraw/zinc/52/67/56/489526756.db2.gz OHXAZMWVIWBUBB-INIZCTEOSA-N 2 0 368.441 1.196 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000415610093 489536906 /nfs/dbraw/zinc/53/69/06/489536906.db2.gz WTZKLELETWBKDL-LJQANCHMSA-N 2 0 360.458 0.778 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415642305 489539137 /nfs/dbraw/zinc/53/91/37/489539137.db2.gz NDANDHPJAYZTDT-UHFFFAOYSA-N 2 0 368.441 1.198 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425881618 489539718 /nfs/dbraw/zinc/53/97/18/489539718.db2.gz CWBCTEKLLURZOQ-GOEBONIOSA-N 2 0 366.506 0.155 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000415674628 489540516 /nfs/dbraw/zinc/54/05/16/489540516.db2.gz KCNBDRKDUJUESO-AWEZNQCLSA-N 2 0 356.430 1.100 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415675321 489540870 /nfs/dbraw/zinc/54/08/70/489540870.db2.gz PYKFNSSCIXFCHK-IYBDPMFKSA-N 2 0 371.485 0.445 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CC1 ZINC000415687497 489541734 /nfs/dbraw/zinc/54/17/34/489541734.db2.gz ISNCHXORMCYFLG-HXUWFJFHSA-N 2 0 373.501 0.570 20 0 FCADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372115377 489546257 /nfs/dbraw/zinc/54/62/57/489546257.db2.gz GQDQMLKWZAQZMF-AEFFLSMTSA-N 2 0 351.491 0.811 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1C[NH+](C)C ZINC000415727290 489546678 /nfs/dbraw/zinc/54/66/78/489546678.db2.gz QEMIKWQCZOMELK-GOSISDBHSA-N 2 0 373.501 0.501 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415864023 489561269 /nfs/dbraw/zinc/56/12/69/489561269.db2.gz XXELRFJFBIYZMB-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCO1 ZINC000415865263 489561330 /nfs/dbraw/zinc/56/13/30/489561330.db2.gz UIYAAKXPGXPEFS-SFHVURJKSA-N 2 0 374.485 0.840 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1)C1CC1 ZINC000415866325 489561598 /nfs/dbraw/zinc/56/15/98/489561598.db2.gz VGTPNPJEUZWBCM-GOSISDBHSA-N 2 0 374.485 0.838 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cncc(C(=O)NCC3([NH+](C)C)CC3)c2)CC1 ZINC000416307745 489581844 /nfs/dbraw/zinc/58/18/44/489581844.db2.gz MHXMEHFFICCLDK-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP COc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000416335666 489583980 /nfs/dbraw/zinc/58/39/80/489583980.db2.gz WCJYUSQXOTVHBD-INIZCTEOSA-N 2 0 362.474 0.964 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+](C)C1CC1 ZINC000427087318 489593766 /nfs/dbraw/zinc/59/37/66/489593766.db2.gz NRMZKFMSMXVHSS-ZDUSSCGKSA-N 2 0 362.478 0.687 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)n2)CC1 ZINC000427314000 489602607 /nfs/dbraw/zinc/60/26/07/489602607.db2.gz LEQCGEKITCHGDL-ZBFHGGJFSA-N 2 0 374.489 0.641 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000570825517 491267440 /nfs/dbraw/zinc/26/74/40/491267440.db2.gz USCXBGHLMVQJFA-UHFFFAOYSA-N 2 0 364.494 0.117 20 0 FCADRP COc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000416804010 489629877 /nfs/dbraw/zinc/62/98/77/489629877.db2.gz CTMABKKNCDRYEQ-HUUCEWRRSA-N 2 0 366.462 0.676 20 0 FCADRP CC(C)(CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000416820564 489630399 /nfs/dbraw/zinc/63/03/99/489630399.db2.gz CHTOSLQNBMFZGM-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000416834893 489631437 /nfs/dbraw/zinc/63/14/37/489631437.db2.gz XUTOIJFRNXSWBS-CYBMUJFWSA-N 2 0 365.444 0.996 20 0 FCADRP COCC1(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000416960275 489636831 /nfs/dbraw/zinc/63/68/31/489636831.db2.gz ZXXLSBSDHNMSBW-IYBDPMFKSA-N 2 0 356.511 0.801 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000416969698 489637262 /nfs/dbraw/zinc/63/72/62/489637262.db2.gz LDCSATFVFAJXLV-QGZVFWFLSA-N 2 0 350.463 0.805 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000416970734 489637462 /nfs/dbraw/zinc/63/74/62/489637462.db2.gz OAAMRXPXMBRTMU-QGZVFWFLSA-N 2 0 350.463 0.886 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417012683 489638739 /nfs/dbraw/zinc/63/87/39/489638739.db2.gz ATKHEGADKIBVES-HZPDHXFCSA-N 2 0 353.511 0.890 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417066288 489640460 /nfs/dbraw/zinc/64/04/60/489640460.db2.gz CGHORJDFUMAFBZ-MCIONIFRSA-N 2 0 363.428 0.749 20 0 FCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417090918 489640543 /nfs/dbraw/zinc/64/05/43/489640543.db2.gz ZHSGUCQYGZMEEW-JKSUJKDBSA-N 2 0 355.527 0.992 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417066290 489640647 /nfs/dbraw/zinc/64/06/47/489640647.db2.gz CGHORJDFUMAFBZ-MJBXVCDLSA-N 2 0 363.428 0.749 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417091716 489641054 /nfs/dbraw/zinc/64/10/54/489641054.db2.gz KMENVEJIOLQTIO-IRXDYDNUSA-N 2 0 356.511 0.883 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCCC1 ZINC000417172648 489644107 /nfs/dbraw/zinc/64/41/07/489644107.db2.gz FXCMUTXKPVSFCK-HZPDHXFCSA-N 2 0 353.511 0.605 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417295252 489646882 /nfs/dbraw/zinc/64/68/82/489646882.db2.gz DLSOJCJYIVVCQD-JKSUJKDBSA-N 2 0 353.511 0.570 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417292353 489647013 /nfs/dbraw/zinc/64/70/13/489647013.db2.gz WYKUFTBVNHDNFA-UNEWFSDZSA-N 2 0 353.511 0.663 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417312621 489648081 /nfs/dbraw/zinc/64/80/81/489648081.db2.gz NXYBSWLUVUBRRW-HOTGVXAUSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C[C@H](C)O1 ZINC000457571611 489649396 /nfs/dbraw/zinc/64/93/96/489649396.db2.gz HZHORSRDPYQJCH-IXDOHACOSA-N 2 0 356.511 0.632 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417360757 489649697 /nfs/dbraw/zinc/64/96/97/489649697.db2.gz BJODAFCNMFCROT-IRXDYDNUSA-N 3 0 360.506 0.972 20 0 FCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417363642 489649732 /nfs/dbraw/zinc/64/97/32/489649732.db2.gz AUPBRSUSPGMPMB-DLBZAZTESA-N 3 0 360.506 0.986 20 0 FCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570840036 491268814 /nfs/dbraw/zinc/26/88/14/491268814.db2.gz RMPDYDXUNRSDSY-WBAXXEDZSA-N 2 0 358.486 0.998 20 0 FCADRP NCC(F)(F)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417395723 489650998 /nfs/dbraw/zinc/65/09/98/489650998.db2.gz WNXWSEIVNBJWLD-UHFFFAOYSA-N 2 0 356.421 0.487 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417419658 489651662 /nfs/dbraw/zinc/65/16/62/489651662.db2.gz DGKXPMWGAYTAPA-HOTGVXAUSA-N 2 0 353.511 0.618 20 0 FCADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000457614651 489651868 /nfs/dbraw/zinc/65/18/68/489651868.db2.gz XDTHZYQQFFKVMT-DLBZAZTESA-N 2 0 356.511 0.489 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417432789 489652590 /nfs/dbraw/zinc/65/25/90/489652590.db2.gz UBDVAORIXLSELH-OAHLLOKOSA-N 2 0 353.511 0.890 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1=O ZINC000428543958 489652874 /nfs/dbraw/zinc/65/28/74/489652874.db2.gz IWBWCWZCPYSBOU-SJLPKXTDSA-N 2 0 374.485 0.602 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1=O ZINC000428543957 489653002 /nfs/dbraw/zinc/65/30/02/489653002.db2.gz IWBWCWZCPYSBOU-FUHWJXTLSA-N 2 0 374.485 0.602 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417433075 489653538 /nfs/dbraw/zinc/65/35/38/489653538.db2.gz UWSUKCIHBPNQGV-YVSFHVDLSA-N 2 0 365.522 0.698 20 0 FCADRP C[C@@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C[NH2+]1 ZINC000417449767 489654740 /nfs/dbraw/zinc/65/47/40/489654740.db2.gz ANIAPBZDYMADRK-HUUCEWRRSA-N 2 0 361.490 0.870 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000417459454 489655137 /nfs/dbraw/zinc/65/51/37/489655137.db2.gz MSJOHFAWTDPQFY-PIIMJCKOSA-N 2 0 362.474 0.661 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481883 489656288 /nfs/dbraw/zinc/65/62/88/489656288.db2.gz IEAHMXUNRMZTCE-NVXWUHKLSA-N 2 0 365.522 0.761 20 0 FCADRP [NH3+]C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000417519856 489657210 /nfs/dbraw/zinc/65/72/10/489657210.db2.gz WBEHEFGSZCOCQE-INIZCTEOSA-N 2 0 361.494 0.415 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)C1 ZINC000417550571 489658541 /nfs/dbraw/zinc/65/85/41/489658541.db2.gz VSRBCOGUMCFPLP-ZWKOTPCHSA-N 2 0 373.501 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417582422 489658757 /nfs/dbraw/zinc/65/87/57/489658757.db2.gz IAUWCVFCIGADGA-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000417761486 489664622 /nfs/dbraw/zinc/66/46/22/489664622.db2.gz ZFAUYZSTGIIGFF-JHJVBQTASA-N 2 0 351.417 0.604 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417823840 489667420 /nfs/dbraw/zinc/66/74/20/489667420.db2.gz APIUXKKSBAHLBX-HIFRSBDPSA-N 2 0 355.280 0.643 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000417823839 489667572 /nfs/dbraw/zinc/66/75/72/489667572.db2.gz APIUXKKSBAHLBX-DZGCQCFKSA-N 2 0 355.280 0.643 20 0 FCADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000428987640 489669673 /nfs/dbraw/zinc/66/96/73/489669673.db2.gz XJSZVBVMEVYXQZ-KRWDZBQOSA-N 2 0 371.485 0.917 20 0 FCADRP COC[C@]1(CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000417942895 489672445 /nfs/dbraw/zinc/67/24/45/489672445.db2.gz CAFBXSWSWDURPD-GOSISDBHSA-N 2 0 365.478 0.590 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417945815 489673314 /nfs/dbraw/zinc/67/33/14/489673314.db2.gz XXTPIGKNMOICCO-DLBZAZTESA-N 2 0 367.538 0.993 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458193288 489673342 /nfs/dbraw/zinc/67/33/42/489673342.db2.gz FPGCPXRHDCMVGD-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000418093504 489678446 /nfs/dbraw/zinc/67/84/46/489678446.db2.gz SSUMDMKCERMOSF-KRWDZBQOSA-N 2 0 365.522 0.890 20 0 FCADRP C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433292 489682712 /nfs/dbraw/zinc/68/27/12/489682712.db2.gz IYGBASUTYMPXNW-IAGOWNOFSA-N 2 0 351.539 0.996 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418193981 489684326 /nfs/dbraw/zinc/68/43/26/489684326.db2.gz DAOADYWSUYMTLM-QWHCGFSZSA-N 2 0 353.433 0.850 20 0 FCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418290452 489688548 /nfs/dbraw/zinc/68/85/48/489688548.db2.gz RLBBMWLWXGUEFT-UHFFFAOYSA-N 2 0 368.570 0.341 20 0 FCADRP CC[N@H+](CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000488983098 489689614 /nfs/dbraw/zinc/68/96/14/489689614.db2.gz ZVACQPIOUWJRAV-UHFFFAOYSA-N 2 0 360.506 0.979 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000418300324 489690331 /nfs/dbraw/zinc/69/03/31/489690331.db2.gz VFJDDCPUEPDNEV-HOTGVXAUSA-N 2 0 365.522 0.938 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000570879995 491271682 /nfs/dbraw/zinc/27/16/82/491271682.db2.gz VZXZQEJFHMVKFT-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000418447864 489699020 /nfs/dbraw/zinc/69/90/20/489699020.db2.gz PXQQUFROVGNSQN-ROUUACIJSA-N 2 0 369.554 0.940 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418444525 489699360 /nfs/dbraw/zinc/69/93/60/489699360.db2.gz MKABYEIVSRDKFU-INIZCTEOSA-N 2 0 353.511 0.938 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000458794657 489703393 /nfs/dbraw/zinc/70/33/93/489703393.db2.gz MEBIBMVZZLXBLB-KRWDZBQOSA-N 2 0 367.538 0.565 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418549660 489706192 /nfs/dbraw/zinc/70/61/92/489706192.db2.gz GIDPSKSWKIXDPW-QGZVFWFLSA-N 2 0 359.474 0.819 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418548570 489706508 /nfs/dbraw/zinc/70/65/08/489706508.db2.gz KVYWALNSFNUQBG-SQNIBIBYSA-N 2 0 362.474 0.818 20 0 FCADRP Cc1nc(NC[C@](C)(O)C[NH+](C)C)c(NC[C@](C)(O)C[NH+](C)C)nc1C ZINC000489397956 489709155 /nfs/dbraw/zinc/70/91/55/489709155.db2.gz FYGSEVWSMHTWRM-ROUUACIJSA-N 2 0 368.526 0.542 20 0 FCADRP CCCN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000418622613 489711640 /nfs/dbraw/zinc/71/16/40/489711640.db2.gz VTNTVKBODUPQOA-CQSZACIVSA-N 2 0 365.444 0.996 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418636574 489713763 /nfs/dbraw/zinc/71/37/63/489713763.db2.gz MJLLIYLXVAVJAP-AEFFLSMTSA-N 2 0 373.501 0.903 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCSC1 ZINC000489496025 489713909 /nfs/dbraw/zinc/71/39/09/489713909.db2.gz KNJIMRSUHDXVMO-WBVHZDCISA-N 2 0 356.536 0.787 20 0 FCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418638173 489714657 /nfs/dbraw/zinc/71/46/57/489714657.db2.gz OJKWBKCMHRIEQC-LJQANCHMSA-N 2 0 369.554 0.814 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418644658 489715301 /nfs/dbraw/zinc/71/53/01/489715301.db2.gz QLVXUHMXHGAEMA-INMHGKMJSA-N 2 0 365.522 0.711 20 0 FCADRP C[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000418672940 489717209 /nfs/dbraw/zinc/71/72/09/489717209.db2.gz UXOVTBBQBHSEGU-FAYQHZLMSA-N 2 0 351.495 0.402 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125998 489719862 /nfs/dbraw/zinc/71/98/62/489719862.db2.gz YKUBDBCJQHIPSX-XHSDSOJGSA-N 2 0 353.511 0.698 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000418715150 489719853 /nfs/dbraw/zinc/71/98/53/489719853.db2.gz IGDNGBUVUAZFCI-CVEARBPZSA-N 2 0 351.495 0.454 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000489608275 489720151 /nfs/dbraw/zinc/72/01/51/489720151.db2.gz UCNITYCHGFRXJH-OWCLPIDISA-N 2 0 353.511 0.746 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418738038 489721176 /nfs/dbraw/zinc/72/11/76/489721176.db2.gz WQYXHVAICNXOPI-PVAVHDDUSA-N 2 0 350.438 0.806 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418768277 489724066 /nfs/dbraw/zinc/72/40/66/489724066.db2.gz RNPVRBLDLMGZGU-GOSISDBHSA-N 2 0 369.554 0.670 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418782080 489726750 /nfs/dbraw/zinc/72/67/50/489726750.db2.gz DMLAZEDUJXPBSO-KRWDZBQOSA-N 2 0 356.511 0.897 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789950 489727675 /nfs/dbraw/zinc/72/76/75/489727675.db2.gz MHMKNKLBSOWJMS-SJORKVTESA-N 3 0 355.527 0.422 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000489861909 489731573 /nfs/dbraw/zinc/73/15/73/489731573.db2.gz UEQBLJSKYDQDCG-CQSZACIVSA-N 2 0 354.476 0.866 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000418810360 489733943 /nfs/dbraw/zinc/73/39/43/489733943.db2.gz ULSNKOQFXBQOCU-UHFFFAOYSA-N 2 0 366.506 0.383 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000563890897 491275545 /nfs/dbraw/zinc/27/55/45/491275545.db2.gz UNWRTXAJRWFJHQ-TWMKSMIVSA-N 2 0 358.490 0.573 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418828388 489741981 /nfs/dbraw/zinc/74/19/81/489741981.db2.gz HVPLIAZBZHKSBO-JKSUJKDBSA-N 2 0 366.506 0.524 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCCC1 ZINC000418827564 489742193 /nfs/dbraw/zinc/74/21/93/489742193.db2.gz CHGDGCSAXFGUGW-INIZCTEOSA-N 2 0 374.485 0.946 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000418827764 489742687 /nfs/dbraw/zinc/74/26/87/489742687.db2.gz DYONQXFWFOIWDD-CQSZACIVSA-N 2 0 350.463 0.976 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCC1 ZINC000418830680 489743113 /nfs/dbraw/zinc/74/31/13/489743113.db2.gz JOVQZFSFORGDJP-DLBZAZTESA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418833283 489745964 /nfs/dbraw/zinc/74/59/64/489745964.db2.gz MYNJVNCFIYJIOQ-YNEHKIRRSA-N 2 0 368.503 0.696 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000418838021 489748972 /nfs/dbraw/zinc/74/89/72/489748972.db2.gz UWGZHZHKIDKKQQ-CXAGYDPISA-N 2 0 352.504 0.973 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000418837997 489749017 /nfs/dbraw/zinc/74/90/17/489749017.db2.gz UQMCGWCACNVKCE-UONOGXRCSA-N 2 0 352.504 0.925 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418839004 489749299 /nfs/dbraw/zinc/74/92/99/489749299.db2.gz WHVICNHRZFUZPG-CQSZACIVSA-N 2 0 366.462 0.101 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000430602854 489750246 /nfs/dbraw/zinc/75/02/46/489750246.db2.gz MDYAWSBSOLAMTD-HNNXBMFYSA-N 2 0 364.515 0.810 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430601681 489750350 /nfs/dbraw/zinc/75/03/50/489750350.db2.gz FAVGAWHHNLOFGO-ZDUSSCGKSA-N 2 0 362.430 0.531 20 0 FCADRP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600324 489750713 /nfs/dbraw/zinc/75/07/13/489750713.db2.gz HLVXVYYIGDZFCE-HIFRSBDPSA-N 2 0 364.515 0.808 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418840889 489751294 /nfs/dbraw/zinc/75/12/94/489751294.db2.gz YJFDZUQLUVBFOG-GXTWGEPZSA-N 2 0 366.462 0.134 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000418840901 489751336 /nfs/dbraw/zinc/75/13/36/489751336.db2.gz YKSPYWSETLEFHX-WMZOPIPTSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000418842363 489752647 /nfs/dbraw/zinc/75/26/47/489752647.db2.gz ZVWUJWCTHZTNFR-JZXOWHBKSA-N 2 0 374.485 0.212 20 0 FCADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n2c1 ZINC000430614300 489753154 /nfs/dbraw/zinc/75/31/54/489753154.db2.gz XXWUCFGWZMVWSS-MRXNPFEDSA-N 2 0 369.469 0.647 20 0 FCADRP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611680 489753811 /nfs/dbraw/zinc/75/38/11/489753811.db2.gz PMWUFERAYNJDJI-HNNXBMFYSA-N 2 0 350.438 0.571 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000418847500 489754200 /nfs/dbraw/zinc/75/42/00/489754200.db2.gz JIGMNVRWOOVKLO-MSOLQXFVSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000418849808 489755286 /nfs/dbraw/zinc/75/52/86/489755286.db2.gz NIUWHSSVLWMFAK-BZSNNMDCSA-N 2 0 360.502 0.909 20 0 FCADRP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430629550 489757367 /nfs/dbraw/zinc/75/73/67/489757367.db2.gz OOPHOKNBKQZHAE-LSDHHAIUSA-N 2 0 365.478 1.267 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000418855229 489758742 /nfs/dbraw/zinc/75/87/42/489758742.db2.gz ULQPMDXLAFUGBR-SFHVURJKSA-N 2 0 360.502 0.734 20 0 FCADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635454 489758806 /nfs/dbraw/zinc/75/88/06/489758806.db2.gz HANDCIVYHYSPLE-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632628 489759382 /nfs/dbraw/zinc/75/93/82/489759382.db2.gz YEHPZHSWYWTDQP-ZIAGYGMSSA-N 2 0 367.494 0.320 20 0 FCADRP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641195 489759840 /nfs/dbraw/zinc/75/98/40/489759840.db2.gz IHBGYGPVOVKCBM-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000418860230 489761364 /nfs/dbraw/zinc/76/13/64/489761364.db2.gz LTILQQZVQOFQGK-RCCFBDPRSA-N 2 0 374.485 0.342 20 0 FCADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646609 489762329 /nfs/dbraw/zinc/76/23/29/489762329.db2.gz WRRVHUSWAGJSAE-HOTGVXAUSA-N 2 0 374.489 0.059 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430643588 489762391 /nfs/dbraw/zinc/76/23/91/489762391.db2.gz XIFFEBYDPGGVHU-VQBCORBOSA-N 2 0 362.518 0.858 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000418861136 489762487 /nfs/dbraw/zinc/76/24/87/489762487.db2.gz MQCNDCDBPRKVLN-KGLIPLIRSA-N 2 0 366.487 0.187 20 0 FCADRP [NH3+]C[C@@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430653302 489762873 /nfs/dbraw/zinc/76/28/73/489762873.db2.gz YRLRZPYMQQMJLU-KRWDZBQOSA-N 2 0 352.523 0.808 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430668481 489763114 /nfs/dbraw/zinc/76/31/14/489763114.db2.gz RPJNHUMLFDKKCH-CYBMUJFWSA-N 2 0 368.503 0.052 20 0 FCADRP O=C([C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662785 489763236 /nfs/dbraw/zinc/76/32/36/489763236.db2.gz JACVHHQIILJHGA-FUHWJXTLSA-N 2 0 356.470 0.936 20 0 FCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663464 489763256 /nfs/dbraw/zinc/76/32/56/489763256.db2.gz JRPXROVLBJGORW-ZIAGYGMSSA-N 2 0 367.494 0.143 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671069 489764360 /nfs/dbraw/zinc/76/43/60/489764360.db2.gz XBQDUXGDXDGGIB-HUUCEWRRSA-N 2 0 367.494 0.001 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418868768 489766630 /nfs/dbraw/zinc/76/66/30/489766630.db2.gz WMQURHBMEFDAKW-UNEWFSDZSA-N 2 0 362.474 0.658 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCO1 ZINC000418869750 489766915 /nfs/dbraw/zinc/76/69/15/489766915.db2.gz XHCVEVVBEWKCJH-MSOLQXFVSA-N 2 0 374.485 0.516 20 0 FCADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418869757 489766997 /nfs/dbraw/zinc/76/69/97/489766997.db2.gz XHQQKBHAXLUZNV-SJORKVTESA-N 2 0 362.474 0.073 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000430714330 489766957 /nfs/dbraw/zinc/76/69/57/489766957.db2.gz NIUJQCQJJOEVRM-GOSISDBHSA-N 2 0 358.486 0.760 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCO1 ZINC000418869751 489767162 /nfs/dbraw/zinc/76/71/62/489767162.db2.gz XHCVEVVBEWKCJH-QZTJIDSGSA-N 2 0 374.485 0.516 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](C)C)c1 ZINC000418870641 489768183 /nfs/dbraw/zinc/76/81/83/489768183.db2.gz YOKIZORUNVUQQH-YLJYHZDGSA-N 2 0 374.485 0.626 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000418877362 489770920 /nfs/dbraw/zinc/77/09/20/489770920.db2.gz OMNFVLHNUPCCNM-ZWKOTPCHSA-N 2 0 360.502 0.876 20 0 FCADRP C[NH2+]C1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000430925202 489777708 /nfs/dbraw/zinc/77/77/08/489777708.db2.gz CHSRFKUTORXOSO-UHFFFAOYSA-N 2 0 352.523 0.822 20 0 FCADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430950749 489780922 /nfs/dbraw/zinc/78/09/22/489780922.db2.gz SCAFXLWUCHTEIY-NEPJUHHUSA-N 2 0 354.476 0.720 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000418900502 489782062 /nfs/dbraw/zinc/78/20/62/489782062.db2.gz DCIFSEBLBKCJDT-MLHJIOFPSA-N 2 0 374.485 0.513 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000431004140 489783880 /nfs/dbraw/zinc/78/38/80/489783880.db2.gz IDPXGAFBHYJEBO-QZTJIDSGSA-N 2 0 368.522 0.008 20 0 FCADRP C[C@H](NC(=O)COC1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431016849 489785326 /nfs/dbraw/zinc/78/53/26/489785326.db2.gz YGPNLJDZVNYEGE-ZDUSSCGKSA-N 2 0 350.438 0.743 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000418917850 489790771 /nfs/dbraw/zinc/79/07/71/489790771.db2.gz IJPJXHOJWHNEAV-HZPDHXFCSA-N 2 0 354.495 0.047 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418924834 489793068 /nfs/dbraw/zinc/79/30/68/489793068.db2.gz PNTCEYAOSYSXQK-HZPDHXFCSA-N 2 0 354.495 0.093 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccco1 ZINC000418935866 489796285 /nfs/dbraw/zinc/79/62/85/489796285.db2.gz DLLQKAILVPAYGQ-RDTXWAMCSA-N 2 0 350.463 0.976 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000459925089 489796702 /nfs/dbraw/zinc/79/67/02/489796702.db2.gz UBZWUGUIZGXBHO-GVDBMIGSSA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccco1 ZINC000418941370 489798186 /nfs/dbraw/zinc/79/81/86/489798186.db2.gz KHNJQNYOFGZXEO-ZNMIVQPWSA-N 2 0 350.463 0.988 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418942235 489798363 /nfs/dbraw/zinc/79/83/63/489798363.db2.gz ASEKDJQJENSZHO-VDNDLQMASA-N 2 0 362.449 0.678 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418942766 489798649 /nfs/dbraw/zinc/79/86/49/489798649.db2.gz XUUBMPNXYUVSEE-MRXNPFEDSA-N 2 0 354.495 0.237 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418949588 489801698 /nfs/dbraw/zinc/80/16/98/489801698.db2.gz VBFBYCOAPBLHGO-LSDHHAIUSA-N 2 0 366.462 0.273 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccco1 ZINC000418952929 489802330 /nfs/dbraw/zinc/80/23/30/489802330.db2.gz ZBOZOLMVQIYFSS-CABCVRRESA-N 2 0 350.463 0.989 20 0 FCADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000475020407 489802648 /nfs/dbraw/zinc/80/26/48/489802648.db2.gz SGPYYGOKVNBHIM-IBGZPJMESA-N 2 0 371.522 0.717 20 0 FCADRP C[C@H]1[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[N@@H+]1C ZINC000431459616 489805718 /nfs/dbraw/zinc/80/57/18/489805718.db2.gz OOQGTEJTKQBDNM-JKSUJKDBSA-N 2 0 353.511 0.761 20 0 FCADRP COC(=O)C[C@@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000475131204 489806681 /nfs/dbraw/zinc/80/66/81/489806681.db2.gz YRYOBUZGULXRFH-LPHOPBHVSA-N 2 0 363.458 0.717 20 0 FCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418970503 489807460 /nfs/dbraw/zinc/80/74/60/489807460.db2.gz WPDNYQFLUFMTQT-QGZVFWFLSA-N 2 0 374.485 0.646 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418970103 489807644 /nfs/dbraw/zinc/80/76/44/489807644.db2.gz WCHDMDIFSBTAKO-LNCBFAARSA-N 2 0 362.449 0.678 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419003653 489814345 /nfs/dbraw/zinc/81/43/45/489814345.db2.gz QQSVDVMTLQIPOQ-MSOLQXFVSA-N 2 0 358.486 0.693 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000419003832 489814389 /nfs/dbraw/zinc/81/43/89/489814389.db2.gz DKMYNNKLOBYAJH-KRWDZBQOSA-N 2 0 360.458 0.085 20 0 FCADRP O=C(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000460004266 489814769 /nfs/dbraw/zinc/81/47/69/489814769.db2.gz AMJHTSMTKAZODW-IAGOWNOFSA-N 2 0 364.490 0.006 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419020434 489820914 /nfs/dbraw/zinc/82/09/14/489820914.db2.gz FTZPYEFDYBSUBD-HUUCEWRRSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419023058 489821320 /nfs/dbraw/zinc/82/13/20/489821320.db2.gz IZFHBDGRLQBCBZ-NPJQDHAYSA-N 2 0 368.522 0.698 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419023162 489821524 /nfs/dbraw/zinc/82/15/24/489821524.db2.gz JFJVFYPTBLZTRB-QEOTZNIISA-N 2 0 352.523 0.973 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419025150 489822451 /nfs/dbraw/zinc/82/24/51/489822451.db2.gz LZFVBXPUFCKYDY-HUUCEWRRSA-N 2 0 350.507 0.895 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419028862 489824297 /nfs/dbraw/zinc/82/42/97/489824297.db2.gz QPWFEBBESWOXSF-ZNMIVQPWSA-N 2 0 354.495 0.045 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419031081 489825217 /nfs/dbraw/zinc/82/52/17/489825217.db2.gz IJCHWWOIHSUUOQ-HNNXBMFYSA-N 2 0 368.547 0.662 20 0 FCADRP CCn1ncnc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000475419325 489825379 /nfs/dbraw/zinc/82/53/79/489825379.db2.gz FGKJOGRKADYXSW-OAHLLOKOSA-N 2 0 351.499 0.856 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419034018 489827396 /nfs/dbraw/zinc/82/73/96/489827396.db2.gz YYECRCSKLMMUCB-ALYAQQCSSA-N 2 0 352.523 0.912 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419038601 489829330 /nfs/dbraw/zinc/82/93/30/489829330.db2.gz FSKBYSQJQNOONL-UHFFFAOYSA-N 2 0 368.522 0.770 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000419043154 489831235 /nfs/dbraw/zinc/83/12/35/489831235.db2.gz QHINBNCLWRPPHT-QZWWFDLISA-N 2 0 368.522 0.448 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000419041277 489831447 /nfs/dbraw/zinc/83/14/47/489831447.db2.gz YEOMAFOCVJCNNX-UHFFFAOYSA-N 2 0 354.520 0.286 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000419042953 489831570 /nfs/dbraw/zinc/83/15/70/489831570.db2.gz QHINBNCLWRPPHT-QAETUUGQSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419046336 489833028 /nfs/dbraw/zinc/83/30/28/489833028.db2.gz PRDZBCMMBVANLY-OIISXLGYSA-N 2 0 360.458 0.043 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000419049116 489835386 /nfs/dbraw/zinc/83/53/86/489835386.db2.gz WWRMSDXQDMUFCZ-TZMCWYRMSA-N 2 0 354.401 0.648 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058231 489837099 /nfs/dbraw/zinc/83/70/99/489837099.db2.gz QTVNETSFXLCAAZ-NVXWUHKLSA-N 2 0 366.506 0.251 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460082169 489847581 /nfs/dbraw/zinc/84/75/81/489847581.db2.gz ZVAOGUJHVSSPNQ-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000419080523 489848300 /nfs/dbraw/zinc/84/83/00/489848300.db2.gz XFGLUKZPOZTZDE-HNNXBMFYSA-N 2 0 362.474 0.249 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419080887 489848862 /nfs/dbraw/zinc/84/88/62/489848862.db2.gz QMWKTKZWIARYBR-MWDXBVQZSA-N 2 0 350.507 0.871 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000419107523 489857413 /nfs/dbraw/zinc/85/74/13/489857413.db2.gz KTAXVCGGRCOPBT-AWEZNQCLSA-N 2 0 372.391 0.760 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261783 489859293 /nfs/dbraw/zinc/85/92/93/489859293.db2.gz RQJXEAHFOBLYRW-AZUAARDMSA-N 2 0 360.502 0.917 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000419115253 489862011 /nfs/dbraw/zinc/86/20/11/489862011.db2.gz SWLVWEBUOJSUGT-BBRMVZONSA-N 2 0 350.438 0.747 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000460277981 489862050 /nfs/dbraw/zinc/86/20/50/489862050.db2.gz UKXIAHHZDYNHFD-NUJGCVRESA-N 2 0 354.495 0.120 20 0 FCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000460336675 489863153 /nfs/dbraw/zinc/86/31/53/489863153.db2.gz UZWDYAXBWZRKGV-SFHVURJKSA-N 2 0 369.554 0.766 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000433115960 489866612 /nfs/dbraw/zinc/86/66/12/489866612.db2.gz KRDFSESKNUTRIZ-INIZCTEOSA-N 2 0 368.547 0.756 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000419123042 489867227 /nfs/dbraw/zinc/86/72/27/489867227.db2.gz OUWLTDWGQWUZJW-BZUAXINKSA-N 2 0 354.495 0.332 20 0 FCADRP Cc1nc(CN2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)no1 ZINC000433144196 489868632 /nfs/dbraw/zinc/86/86/32/489868632.db2.gz BHZPVBMQSWXLGA-UHFFFAOYSA-N 2 0 350.467 0.226 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166971 489869787 /nfs/dbraw/zinc/86/97/87/489869787.db2.gz YYMBTXXRYDSTGT-QGZVFWFLSA-N 3 0 353.555 0.580 20 0 FCADRP C[C@H]1C[NH+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000494127616 489870319 /nfs/dbraw/zinc/87/03/19/489870319.db2.gz MVFGGHJBJIWZLS-IRXDYDNUSA-N 2 0 363.506 0.967 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)c1 ZINC000433176288 489870936 /nfs/dbraw/zinc/87/09/36/489870936.db2.gz OFTKCBBIISMOGG-UHFFFAOYSA-N 3 0 361.490 0.942 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000494192836 489874353 /nfs/dbraw/zinc/87/43/53/489874353.db2.gz UJRPLHDLXXKAKY-CVEARBPZSA-N 2 0 364.494 0.944 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420020111 489882147 /nfs/dbraw/zinc/88/21/47/489882147.db2.gz RPNLTZIILOCIAN-NVXWUHKLSA-N 2 0 367.538 0.105 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433420888 489882363 /nfs/dbraw/zinc/88/23/63/489882363.db2.gz GZHQMYHGRDRXHR-CABCVRRESA-N 2 0 350.467 0.289 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019203 489882431 /nfs/dbraw/zinc/88/24/31/489882431.db2.gz ZXDAUMISLZTCQQ-OIISXLGYSA-N 2 0 367.538 0.245 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420025339 489883814 /nfs/dbraw/zinc/88/38/14/489883814.db2.gz BKAUGFKKEYIYHT-ZNMIVQPWSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027122 489884794 /nfs/dbraw/zinc/88/47/94/489884794.db2.gz CUBBOWZXJRAFAF-GOEBONIOSA-N 2 0 368.522 0.796 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420039853 489889805 /nfs/dbraw/zinc/88/98/05/489889805.db2.gz OGZFDBIHTZOHAD-HLLBOEOZSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420057884 489896554 /nfs/dbraw/zinc/89/65/54/489896554.db2.gz HYRZIDVRWUYAAZ-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420083923 489906698 /nfs/dbraw/zinc/90/66/98/489906698.db2.gz UXXFTTTWXSDUJM-UHFFFAOYSA-N 2 0 356.511 0.579 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000420088445 489907442 /nfs/dbraw/zinc/90/74/42/489907442.db2.gz CENPNKQNPCGMLF-APWZRJJASA-N 2 0 368.522 0.452 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)CC1 ZINC000420092541 489909163 /nfs/dbraw/zinc/90/91/63/489909163.db2.gz OHKXRCZWFFIPOD-UHFFFAOYSA-N 2 0 365.522 0.001 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420092475 489909400 /nfs/dbraw/zinc/90/94/00/489909400.db2.gz GDGJENIMAHIXSK-CRAIPNDOSA-N 2 0 354.495 0.062 20 0 FCADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000476740382 489913278 /nfs/dbraw/zinc/91/32/78/489913278.db2.gz BHJCKHCRWUKMRO-ZDUSSCGKSA-N 2 0 352.483 0.666 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000420112025 489916676 /nfs/dbraw/zinc/91/66/76/489916676.db2.gz XIRDKYSEDYFOPQ-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420112355 489916825 /nfs/dbraw/zinc/91/68/25/489916825.db2.gz ATUPKFPMJDTVDJ-HOTGVXAUSA-N 2 0 367.538 0.247 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126514 489922035 /nfs/dbraw/zinc/92/20/35/489922035.db2.gz OHCLEFQVLDRHKO-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132890 489924655 /nfs/dbraw/zinc/92/46/55/489924655.db2.gz SQPXQLRQPJCLBP-DZGCQCFKSA-N 2 0 352.504 0.895 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134462 489924810 /nfs/dbraw/zinc/92/48/10/489924810.db2.gz USVPXHQPDWSFOS-GDBMZVCRSA-N 2 0 364.465 0.973 20 0 FCADRP CCN1CCN(CCOCCN2CCN(CC)C(=O)[C@@H]2C)[C@@H](C)C1=O ZINC000495256793 489932997 /nfs/dbraw/zinc/93/29/97/489932997.db2.gz UKUFTBWXVBJOPV-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420153569 489933365 /nfs/dbraw/zinc/93/33/65/489933365.db2.gz ZZJSNHRLDKSGAC-CRAIPNDOSA-N 2 0 373.501 0.871 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420160364 489936711 /nfs/dbraw/zinc/93/67/11/489936711.db2.gz UPUYUAMEQZWMEO-PMPSAXMXSA-N 2 0 368.522 0.448 20 0 FCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420160314 489936807 /nfs/dbraw/zinc/93/68/07/489936807.db2.gz UHVAWILLQPTIGY-MRXNPFEDSA-N 2 0 367.538 0.118 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000477082499 489939478 /nfs/dbraw/zinc/93/94/78/489939478.db2.gz ASVUAYKIHLYFHX-UHFFFAOYSA-N 2 0 370.538 0.879 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420173317 489940100 /nfs/dbraw/zinc/94/01/00/489940100.db2.gz XASURNRGZVUKHC-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)c1coc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1 ZINC000477129155 489945803 /nfs/dbraw/zinc/94/58/03/489945803.db2.gz ULBIPQMMNRWRFG-UHFFFAOYSA-N 2 0 373.475 0.713 20 0 FCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420196691 489948261 /nfs/dbraw/zinc/94/82/61/489948261.db2.gz IVKAGAOCGRPBPC-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420197102 489948307 /nfs/dbraw/zinc/94/83/07/489948307.db2.gz LGEGIWSBHKPXRL-RHSMWYFYSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420198455 489949209 /nfs/dbraw/zinc/94/92/09/489949209.db2.gz CKFBDMHFCWAOOE-WRQOLXDDSA-N 2 0 350.507 0.727 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000420199014 489949246 /nfs/dbraw/zinc/94/92/46/489949246.db2.gz WLXNKUFBHVZWHK-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000420302331 489961617 /nfs/dbraw/zinc/96/16/17/489961617.db2.gz FSSMSLRALQMWEG-SFHVURJKSA-N 2 0 351.539 0.299 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867506 489963124 /nfs/dbraw/zinc/96/31/24/489963124.db2.gz FDILKAKBEJKWEW-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374203 489968160 /nfs/dbraw/zinc/96/81/60/489968160.db2.gz HCHKWUHRHQGDLX-BJJXKVORSA-N 2 0 356.467 0.065 20 0 FCADRP CS(=O)(=O)CC1CCC([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000556076442 491292119 /nfs/dbraw/zinc/29/21/19/491292119.db2.gz MQWQPKITCOACIG-PCKAHOCUSA-N 2 0 359.536 0.767 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000477625386 489979461 /nfs/dbraw/zinc/97/94/61/489979461.db2.gz IJUOCMHSFAJDFV-INIZCTEOSA-N 2 0 370.538 0.696 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000420453672 489979992 /nfs/dbraw/zinc/97/99/92/489979992.db2.gz DDQXUJJFNFJALM-CQSZACIVSA-N 2 0 357.524 0.728 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000377931440 489981630 /nfs/dbraw/zinc/98/16/30/489981630.db2.gz JGKBXAFQVZFIFM-KURKYZTESA-N 2 0 368.522 0.992 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420467410 489981948 /nfs/dbraw/zinc/98/19/48/489981948.db2.gz XFJWTZUXAHJDJJ-GJZGRUSLSA-N 2 0 357.524 0.857 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000477655398 489982915 /nfs/dbraw/zinc/98/29/15/489982915.db2.gz XIFMLNXZTDMGNY-INIZCTEOSA-N 2 0 368.522 0.308 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477683517 489984479 /nfs/dbraw/zinc/98/44/79/489984479.db2.gz OQPWHOGVVPOIOO-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000477698170 489985814 /nfs/dbraw/zinc/98/58/14/489985814.db2.gz FYYKERZDISMZMM-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP CN(C)c1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000463335313 490011213 /nfs/dbraw/zinc/01/12/13/490011213.db2.gz KWAMUWLAQKMLNN-UHFFFAOYSA-N 2 0 352.483 0.594 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000420802303 490023204 /nfs/dbraw/zinc/02/32/04/490023204.db2.gz RQJVMBOMJPEFKW-FHERZECASA-N 2 0 353.511 0.746 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853679 490026065 /nfs/dbraw/zinc/02/60/65/490026065.db2.gz DSVGNLAOYBNSIC-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897323 490029759 /nfs/dbraw/zinc/02/97/59/490029759.db2.gz CJHNNAAAADHIIE-IAGOWNOFSA-N 2 0 368.522 0.401 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000420904514 490031216 /nfs/dbraw/zinc/03/12/16/490031216.db2.gz PXPYTFKDDSAMEI-IAGOWNOFSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438705143 490036747 /nfs/dbraw/zinc/03/67/47/490036747.db2.gz FTLNNCVPPNJIGP-OAHLLOKOSA-N 2 0 352.483 0.923 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000438695122 490036975 /nfs/dbraw/zinc/03/69/75/490036975.db2.gz KGIVBDKHMOAPSF-UHFFFAOYSA-N 2 0 364.494 1.211 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420985568 490040074 /nfs/dbraw/zinc/04/00/74/490040074.db2.gz WIBVTAPXSNLDNV-UHFFFAOYSA-N 2 0 365.566 0.643 20 0 FCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443061172 490066044 /nfs/dbraw/zinc/06/60/44/490066044.db2.gz RAQCYZOLSZBZBW-MRXNPFEDSA-N 2 0 367.538 0.106 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000519785876 490083798 /nfs/dbraw/zinc/08/37/98/490083798.db2.gz DXLBJNLAHNFGMW-HNNXBMFYSA-N 2 0 350.507 0.943 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506429928 490090540 /nfs/dbraw/zinc/09/05/40/490090540.db2.gz PQQFSZZRTOXTDE-GOSISDBHSA-N 2 0 372.513 0.754 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)CC1 ZINC000506525138 490101749 /nfs/dbraw/zinc/10/17/49/490101749.db2.gz QQCGVDSHJUHYCY-GOSISDBHSA-N 2 0 355.527 0.157 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000571326160 491300931 /nfs/dbraw/zinc/30/09/31/491300931.db2.gz BSAACWCIFCCEJP-HZPDHXFCSA-N 2 0 368.522 0.579 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748548 490141567 /nfs/dbraw/zinc/14/15/67/490141567.db2.gz UBZSVZKPZPCNKY-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852913 490146368 /nfs/dbraw/zinc/14/63/68/490146368.db2.gz XTRXHPDICZKTMQ-JKSUJKDBSA-N 2 0 353.511 0.713 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556205410 491303103 /nfs/dbraw/zinc/30/31/03/491303103.db2.gz OWICLGHWSSVPHA-YOEHRIQHSA-N 2 0 356.536 0.388 20 0 FCADRP COc1cc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc(Cl)c1OCC(N)=O ZINC000392629761 490153413 /nfs/dbraw/zinc/15/34/13/490153413.db2.gz XXYMHPVQDXTAFX-CYBMUJFWSA-N 2 0 370.881 0.548 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950509 490155064 /nfs/dbraw/zinc/15/50/64/490155064.db2.gz OVHHTSFXZKVBGV-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947314 490156656 /nfs/dbraw/zinc/15/66/56/490156656.db2.gz GOAXCXGRZZLJBO-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000465963169 490157782 /nfs/dbraw/zinc/15/77/82/490157782.db2.gz YHRQDYVQCUMRSL-HNNXBMFYSA-N 2 0 351.495 0.454 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000465963173 490157982 /nfs/dbraw/zinc/15/79/82/490157982.db2.gz YHRQDYVQCUMRSL-OAHLLOKOSA-N 2 0 351.495 0.454 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000466033509 490160678 /nfs/dbraw/zinc/16/06/78/490160678.db2.gz LDWJCNNWGCVCLO-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000545885428 490162751 /nfs/dbraw/zinc/16/27/51/490162751.db2.gz ZQLUGRUHKQMGRE-LJQANCHMSA-N 2 0 368.522 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@H](C)[N@H+]1C ZINC000571397856 491304755 /nfs/dbraw/zinc/30/47/55/491304755.db2.gz HDXAQSAJZAGQGO-IYBDPMFKSA-N 2 0 353.511 0.713 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556246066 491305748 /nfs/dbraw/zinc/30/57/48/491305748.db2.gz RAKWOFBGMSWJBB-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564431190 491306494 /nfs/dbraw/zinc/30/64/94/491306494.db2.gz VFAYTQZASQOXCW-GOSISDBHSA-N 2 0 373.501 0.724 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCOC ZINC000521059730 490221144 /nfs/dbraw/zinc/22/11/44/490221144.db2.gz HJUYGJAGBWORCR-HNNXBMFYSA-N 2 0 350.529 0.157 20 0 FCADRP CC(C)(CNC(=O)CN1CCOC2(CCOCC2)CC1)N1CCOCC1 ZINC000546690179 490230296 /nfs/dbraw/zinc/23/02/96/490230296.db2.gz CMUNQMZFCBPUHZ-UHFFFAOYSA-N 2 0 369.506 0.485 20 0 FCADRP [NH3+]CCN(CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000466988001 490236961 /nfs/dbraw/zinc/23/69/61/490236961.db2.gz DRNMVBXYTXFEFU-UHFFFAOYSA-N 2 0 352.504 0.427 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000521273828 490244144 /nfs/dbraw/zinc/24/41/44/490244144.db2.gz IEQDTCNEIWSYQF-MOPGFXCFSA-N 2 0 372.513 0.878 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000422370339 490282242 /nfs/dbraw/zinc/28/22/42/490282242.db2.gz UHSBFGDGLHMUIF-GOSISDBHSA-N 2 0 373.501 0.967 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000521624433 490283443 /nfs/dbraw/zinc/28/34/43/490283443.db2.gz AQMACGHOJGIEOJ-CABCVRRESA-N 2 0 355.508 0.292 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422374009 490285894 /nfs/dbraw/zinc/28/58/94/490285894.db2.gz CEEMCSMASCWNIE-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000521677060 490291739 /nfs/dbraw/zinc/29/17/39/490291739.db2.gz HKRGBMAZXUTHNG-MRXNPFEDSA-N 2 0 362.474 0.697 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483331386 490309518 /nfs/dbraw/zinc/30/95/18/490309518.db2.gz FUHZCZNQQCOMNA-ZACQAIPSSA-N 2 0 368.522 0.545 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000467704133 490331809 /nfs/dbraw/zinc/33/18/09/490331809.db2.gz HKWSVQNKJOZGHK-HOTGVXAUSA-N 2 0 354.495 0.108 20 0 FCADRP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000498844441 490352051 /nfs/dbraw/zinc/35/20/51/490352051.db2.gz OPGSNQNIWUJGAH-KRWDZBQOSA-N 2 0 350.507 0.849 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000571642252 491320232 /nfs/dbraw/zinc/32/02/32/491320232.db2.gz KHAOXFBLYLTKOK-KBPBESRZSA-N 2 0 352.454 0.958 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000422497014 490361561 /nfs/dbraw/zinc/36/15/61/490361561.db2.gz UYLXPNDSBULAGX-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1F ZINC000571658200 491321420 /nfs/dbraw/zinc/32/14/20/491321420.db2.gz WZYLGHRRQMTSBY-UHFFFAOYSA-N 2 0 351.426 0.118 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410992955 490376703 /nfs/dbraw/zinc/37/67/03/490376703.db2.gz XXKNIQSDSWWQGD-DLBZAZTESA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522442613 490379123 /nfs/dbraw/zinc/37/91/23/490379123.db2.gz VATKRQRATTZPNI-KRWDZBQOSA-N 2 0 367.538 0.912 20 0 FCADRP COC(=O)CN1CCC([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000571689782 491323262 /nfs/dbraw/zinc/32/32/62/491323262.db2.gz UPYIAJSRCNVQNV-UHFFFAOYSA-N 2 0 350.463 0.749 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411254501 490415608 /nfs/dbraw/zinc/41/56/08/490415608.db2.gz NMVJEFKMERTXTI-KRWDZBQOSA-N 2 0 362.474 0.832 20 0 FCADRP O=C(C[N@H+]1CCC[C@H](OCCO)C1)N1CCN(Cc2ccsc2)CC1 ZINC000548076796 490416316 /nfs/dbraw/zinc/41/63/16/490416316.db2.gz JIMMYKBHVRBDLJ-KRWDZBQOSA-N 2 0 367.515 0.866 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000522982805 490425394 /nfs/dbraw/zinc/42/53/94/490425394.db2.gz GERBRNCSQNPOCH-INIZCTEOSA-N 2 0 369.510 0.126 20 0 FCADRP CC1[C@@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000449835137 490430641 /nfs/dbraw/zinc/43/06/41/490430641.db2.gz NRSMXZWBITVKPN-QZTJIDSGSA-N 2 0 364.534 0.785 20 0 FCADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634154 490437255 /nfs/dbraw/zinc/43/72/55/490437255.db2.gz JFSANZSEKYGQAT-AGIUHOORSA-N 2 0 354.476 0.578 20 0 FCADRP C[C@H](Cc1ccsc1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556660089 491326353 /nfs/dbraw/zinc/32/63/53/491326353.db2.gz FCHHQKDAVFLRBO-CQSZACIVSA-N 2 0 354.520 0.747 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)nc2)CC1 ZINC000564795007 491326801 /nfs/dbraw/zinc/32/68/01/491326801.db2.gz DBWCEVCYVBJLFD-UHFFFAOYSA-N 2 0 370.461 0.602 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210429 490448536 /nfs/dbraw/zinc/44/85/36/490448536.db2.gz ZEQABIPVQIVJFW-IAGOWNOFSA-N 2 0 367.538 0.959 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000556676591 491327051 /nfs/dbraw/zinc/32/70/51/491327051.db2.gz DJLTWPWRICFYKF-HNNXBMFYSA-N 2 0 366.481 0.997 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)C1(C)C ZINC000564795606 491327292 /nfs/dbraw/zinc/32/72/92/491327292.db2.gz GSAKEXLQSJBVEH-DNVCBOLYSA-N 2 0 369.506 0.910 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000509715808 490455224 /nfs/dbraw/zinc/45/52/24/490455224.db2.gz PFCQLORMXGJBBM-UHFFFAOYSA-N 2 0 368.522 0.548 20 0 FCADRP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000535097783 490456575 /nfs/dbraw/zinc/45/65/75/490456575.db2.gz YFNBQJMJSNAZIP-HZPDHXFCSA-N 2 0 359.536 0.827 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422708282 490462268 /nfs/dbraw/zinc/46/22/68/490462268.db2.gz IUTHDQUOVCPURZ-GJZGRUSLSA-N 2 0 355.508 0.249 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746098 490469271 /nfs/dbraw/zinc/46/92/71/490469271.db2.gz VYWIRRLMIOYOSS-HOTGVXAUSA-N 3 0 368.522 0.485 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000484822857 490469980 /nfs/dbraw/zinc/46/99/80/490469980.db2.gz QXOUQTFABXPGJC-UHFFFAOYSA-N 2 0 364.494 0.621 20 0 FCADRP C[NH+]1CC[C@H]2CN(c3cc(N4C[C@H]5CC[N@@H+](C)[C@H]5C4)nc4ncnn43)C[C@H]21 ZINC000450777540 490488587 /nfs/dbraw/zinc/48/85/87/490488587.db2.gz KBHDAJCEZNJDCG-FXUDXRNXSA-N 2 0 368.489 0.405 20 0 FCADRP CN(C)C(=O)c1ccnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000556721117 491330369 /nfs/dbraw/zinc/33/03/69/491330369.db2.gz FCUZUBHIVLHIMF-UHFFFAOYSA-N 2 0 350.467 0.741 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000523776746 490496128 /nfs/dbraw/zinc/49/61/28/490496128.db2.gz PHKPEVCJLHBNGT-MRXNPFEDSA-N 2 0 367.538 0.912 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394140 490511032 /nfs/dbraw/zinc/51/10/32/490511032.db2.gz OOLDISZJUHCXSH-HOTGVXAUSA-N 2 0 355.527 0.109 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+](C)C1 ZINC000413907912 490511993 /nfs/dbraw/zinc/51/19/93/490511993.db2.gz TZTZITDHYJPUIY-INIZCTEOSA-N 2 0 367.490 0.585 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500447383 490517838 /nfs/dbraw/zinc/51/78/38/490517838.db2.gz LENKFTNTQWAAJF-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000423033754 490525947 /nfs/dbraw/zinc/52/59/47/490525947.db2.gz GTHOUPYSMHFRBR-WMZOPIPTSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000564883547 491333580 /nfs/dbraw/zinc/33/35/80/491333580.db2.gz BACYWNPJKSXNHK-DOTOQJQBSA-N 2 0 365.522 0.665 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423055545 490531555 /nfs/dbraw/zinc/53/15/55/490531555.db2.gz DDYZQNAPINWTQD-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524390678 490534698 /nfs/dbraw/zinc/53/46/98/490534698.db2.gz BKDHDZOENDCZOW-HXUWFJFHSA-N 2 0 360.502 0.377 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000548800210 490542637 /nfs/dbraw/zinc/54/26/37/490542637.db2.gz IJCBDKDDMNBUNL-XUVXKRRUSA-N 2 0 372.513 0.376 20 0 FCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000571877737 491334516 /nfs/dbraw/zinc/33/45/16/491334516.db2.gz GYCFHZUIZRVMEM-JKSUJKDBSA-N 2 0 374.489 0.540 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000524518719 490543071 /nfs/dbraw/zinc/54/30/71/490543071.db2.gz PLQYODXXUFFLAT-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP O=C(CSCC(=O)NCC[NH+]1CCCCC1)NCC[NH+]1CCCCC1 ZINC000536016565 490546447 /nfs/dbraw/zinc/54/64/47/490546447.db2.gz DUZOPOKCZVTZBB-UHFFFAOYSA-N 2 0 370.563 0.924 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000485806605 490560245 /nfs/dbraw/zinc/56/02/45/490560245.db2.gz QBHWWDUJCVSNPE-AWEZNQCLSA-N 2 0 360.506 0.775 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000485827855 490561136 /nfs/dbraw/zinc/56/11/36/490561136.db2.gz JCVNAKHSLZVXHY-CVEARBPZSA-N 2 0 364.494 0.776 20 0 FCADRP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000501154668 490584575 /nfs/dbraw/zinc/58/45/75/490584575.db2.gz QMQGSWVVUDYHHX-KRWDZBQOSA-N 2 0 368.522 0.357 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486109354 490591498 /nfs/dbraw/zinc/59/14/98/490591498.db2.gz NCHXYEAVZOOQFG-IAGOWNOFSA-N 2 0 360.506 0.693 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000525302925 490595015 /nfs/dbraw/zinc/59/50/15/490595015.db2.gz ZNBLNHXGFUFVRZ-SJORKVTESA-N 2 0 365.522 0.844 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000536600902 490596023 /nfs/dbraw/zinc/59/60/23/490596023.db2.gz SEVUCCFWNRMYJR-HNNXBMFYSA-N 2 0 357.495 0.687 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000486289723 490606286 /nfs/dbraw/zinc/60/62/86/490606286.db2.gz FDLJDCRIPWUISQ-KSWRQPAISA-N 2 0 352.523 0.639 20 0 FCADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000501507422 490608985 /nfs/dbraw/zinc/60/89/85/490608985.db2.gz VBBBMLJFUMJNKA-ZWKOTPCHSA-N 2 0 363.527 0.959 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501578928 490617998 /nfs/dbraw/zinc/61/79/98/490617998.db2.gz BMLRCGMBRQBXAW-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525686432 490618282 /nfs/dbraw/zinc/61/82/82/490618282.db2.gz SZRHUYZBNLEVKQ-LJQANCHMSA-N 2 0 365.566 0.687 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615178 490624926 /nfs/dbraw/zinc/62/49/26/490624926.db2.gz VDHOLJCSYXRVCC-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000501651823 490631415 /nfs/dbraw/zinc/63/14/15/490631415.db2.gz YMISONWMPPRCFC-VYDXJSESSA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+](CCC(=O)N1CCOCC1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511879518 490633706 /nfs/dbraw/zinc/63/37/06/490633706.db2.gz QELUSRFKYLTIEH-UHFFFAOYSA-N 2 0 374.529 0.985 20 0 FCADRP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000486492494 490639859 /nfs/dbraw/zinc/63/98/59/490639859.db2.gz DTUHZQAGUIXKNX-NAHJCDBISA-N 2 0 368.522 0.019 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC(=O)N1CCCCC1 ZINC000501977105 490662893 /nfs/dbraw/zinc/66/28/93/490662893.db2.gz MAKJWQBLRBDMHI-UHFFFAOYSA-N 2 0 355.527 0.914 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)on1 ZINC000512239809 490666859 /nfs/dbraw/zinc/66/68/59/490666859.db2.gz GDAAAMNAJHHJSH-HNNXBMFYSA-N 2 0 353.467 0.290 20 0 FCADRP C[NH+](C)C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000572032348 491344273 /nfs/dbraw/zinc/34/42/73/491344273.db2.gz JZXHIGKOXVQFQU-QGZVFWFLSA-N 2 0 358.486 0.460 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000486813801 490673727 /nfs/dbraw/zinc/67/37/27/490673727.db2.gz RGILJOGEFVGLOK-HRCADAONSA-N 2 0 359.536 0.542 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943023 490681215 /nfs/dbraw/zinc/68/12/15/490681215.db2.gz WVPMMRBHSREMSY-NJAFHUGGSA-N 2 0 360.502 0.589 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527123961 490701241 /nfs/dbraw/zinc/70/12/41/490701241.db2.gz YKNZKNYPJVICDV-UHFFFAOYSA-N 2 0 373.461 0.158 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419529 490703980 /nfs/dbraw/zinc/70/39/80/490703980.db2.gz OMPNFHCUUOJUPV-APAFKAMOSA-N 2 0 355.523 0.642 20 0 FCADRP CC(C)Cc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000527171740 490705626 /nfs/dbraw/zinc/70/56/26/490705626.db2.gz OBXXHGXWGZADEC-UHFFFAOYSA-N 2 0 364.494 0.565 20 0 FCADRP CN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C[C@H](O)C[NH3+] ZINC000565047301 491348161 /nfs/dbraw/zinc/34/81/61/491348161.db2.gz PCNOAYGWILXRBK-OAHLLOKOSA-N 2 0 374.407 0.605 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000527374005 490720725 /nfs/dbraw/zinc/72/07/25/490720725.db2.gz NLBPKHPDKXAJTQ-UHFFFAOYSA-N 2 0 350.419 0.306 20 0 FCADRP C[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513469954 490731968 /nfs/dbraw/zinc/73/19/68/490731968.db2.gz UBISDHSYHCCHBW-INIZCTEOSA-N 2 0 369.554 0.175 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)(C)C[NH+](C)C ZINC000513502121 490735749 /nfs/dbraw/zinc/73/57/49/490735749.db2.gz YYVMPRNBKILFPF-HNNXBMFYSA-N 2 0 370.538 0.384 20 0 FCADRP Cn1cc(CN2CCN(Cc3cnc(N4CCN(C)CC4)nc3)CC2)cn1 ZINC000514099269 490761863 /nfs/dbraw/zinc/76/18/63/490761863.db2.gz MTMWPOJIKXFXDP-UHFFFAOYSA-N 2 0 370.505 0.280 20 0 FCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000557193262 491358873 /nfs/dbraw/zinc/35/88/73/491358873.db2.gz BSIRUJLNSLHHHR-INIZCTEOSA-N 2 0 373.501 0.943 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121546 491354330 /nfs/dbraw/zinc/35/43/30/491354330.db2.gz VPMNGNBRZQYZHV-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000539283793 490774865 /nfs/dbraw/zinc/77/48/65/490774865.db2.gz ZURZWKXNKXNAIX-QGZVFWFLSA-N 2 0 362.474 0.301 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122223 491354701 /nfs/dbraw/zinc/35/47/01/491354701.db2.gz QHTCZRRSNWNZEH-ARFHVFGLSA-N 2 0 350.507 0.964 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000514661654 490778625 /nfs/dbraw/zinc/77/86/25/490778625.db2.gz KBXPVAPWAISKMZ-CABCVRRESA-N 2 0 360.458 0.906 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000514663562 490779328 /nfs/dbraw/zinc/77/93/28/490779328.db2.gz FXAYESWHLKMNOZ-GJZGRUSLSA-N 2 0 368.547 0.660 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000514726069 490784407 /nfs/dbraw/zinc/78/44/07/490784407.db2.gz UNKGYBKTWSAOQN-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000514788293 490788030 /nfs/dbraw/zinc/78/80/30/490788030.db2.gz HWOPHPDEIDHVMT-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000557140406 491356299 /nfs/dbraw/zinc/35/62/99/491356299.db2.gz GXUYKFIWKRGPLF-MRXNPFEDSA-N 2 0 353.511 0.747 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000514861879 490793752 /nfs/dbraw/zinc/79/37/52/490793752.db2.gz VKTQZMFMUOTUKE-GRDNDAEWSA-N 2 0 362.474 0.111 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000514864585 490794168 /nfs/dbraw/zinc/79/41/68/490794168.db2.gz HSVMSWUTRPRARE-AEFFLSMTSA-N 2 0 372.517 0.978 20 0 FCADRP CN1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154453 491356966 /nfs/dbraw/zinc/35/69/66/491356966.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 2 0 359.518 0.835 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049732 490805464 /nfs/dbraw/zinc/80/54/64/490805464.db2.gz PMRYZPONRZJHCD-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242943 491357841 /nfs/dbraw/zinc/35/78/41/491357841.db2.gz DOHTWDJSCHZMNB-CIRFHOKZSA-N 2 0 358.486 0.961 20 0 FCADRP CC[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000515381348 490823011 /nfs/dbraw/zinc/82/30/11/490823011.db2.gz IFKKEPPTHFKQQI-ZWKOTPCHSA-N 2 0 358.486 0.808 20 0 FCADRP CC(C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749986 490826361 /nfs/dbraw/zinc/82/63/61/490826361.db2.gz GGBYZDZVKKFUDC-FGYAAKKASA-N 2 0 372.550 0.248 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672705 490835175 /nfs/dbraw/zinc/83/51/75/490835175.db2.gz JEHVNLKEEHHRDX-KSZLIROESA-N 2 0 371.485 0.777 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783086 490839758 /nfs/dbraw/zinc/83/97/58/490839758.db2.gz ISBUYSDVJZSPHG-DLBZAZTESA-N 2 0 368.522 0.356 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000515846151 490840450 /nfs/dbraw/zinc/84/04/50/490840450.db2.gz HPOLLRWAINWDPS-UHFFFAOYSA-N 3 0 353.555 0.452 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cn2)CC1 ZINC000529291417 490847925 /nfs/dbraw/zinc/84/79/25/490847925.db2.gz YOTVQVMSDMJRCB-MRXNPFEDSA-N 2 0 358.490 0.917 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303547 490848798 /nfs/dbraw/zinc/84/87/98/490848798.db2.gz OIJXUOCYKPVZQM-HZPDHXFCSA-N 2 0 353.511 0.569 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529305067 490848869 /nfs/dbraw/zinc/84/88/69/490848869.db2.gz HMOSJXKEGLNLQM-AEFFLSMTSA-N 2 0 367.538 0.422 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C(C)C ZINC000541182957 490854111 /nfs/dbraw/zinc/85/41/11/490854111.db2.gz GTYSBTLCGFIBQN-HNNXBMFYSA-N 2 0 364.494 0.941 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529376752 490858042 /nfs/dbraw/zinc/85/80/42/490858042.db2.gz SJUPGRRMJHHZBI-JZXOWHBKSA-N 2 0 368.522 0.896 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000516263434 490859213 /nfs/dbraw/zinc/85/92/13/490859213.db2.gz NMYCJVIXRUPKKJ-WMLDXEAASA-N 2 0 362.474 0.611 20 0 FCADRP Cc1ccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000516269156 490859266 /nfs/dbraw/zinc/85/92/66/490859266.db2.gz KXFIEUFWWGRECK-UHFFFAOYSA-N 2 0 370.519 0.225 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000572316590 491362873 /nfs/dbraw/zinc/36/28/73/491362873.db2.gz SEXGRSRFUVBKAY-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP [NH3+][C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000516766566 490877093 /nfs/dbraw/zinc/87/70/93/490877093.db2.gz NWZPJQRZCNEHGO-KRWDZBQOSA-N 2 0 350.507 0.955 20 0 FCADRP CN1CCN(c2ncc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000530249722 490895140 /nfs/dbraw/zinc/89/51/40/490895140.db2.gz YCHVSMAXJVAGQW-IBGZPJMESA-N 2 0 374.533 0.819 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000557225508 491360329 /nfs/dbraw/zinc/36/03/29/491360329.db2.gz FPWOUUMFQULVJK-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000517341162 490904793 /nfs/dbraw/zinc/90/47/93/490904793.db2.gz TWGIRLGQMWPQNB-LSDHHAIUSA-N 2 0 352.866 0.912 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000542777817 490908732 /nfs/dbraw/zinc/90/87/32/490908732.db2.gz CCWGOKQUBDSPMG-DOTOQJQBSA-N 2 0 365.522 0.665 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000542778708 490909275 /nfs/dbraw/zinc/90/92/75/490909275.db2.gz HHFIZSRMCNVUBO-XUVXKRRUSA-N 2 0 372.513 0.376 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)COC3CCC([NH3+])CC3)C2)CC1 ZINC000517563574 490911964 /nfs/dbraw/zinc/91/19/64/490911964.db2.gz UXDZHWWKJDVZQA-LXPRWKDFSA-N 2 0 352.523 0.900 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000517577858 490912913 /nfs/dbraw/zinc/91/29/13/490912913.db2.gz BKGBIHKCONQSTI-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc(F)c1 ZINC000517758656 490920081 /nfs/dbraw/zinc/92/00/81/490920081.db2.gz AYRQDMJWDOAYTI-HRCADAONSA-N 2 0 363.437 0.382 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777978 490923719 /nfs/dbraw/zinc/92/37/19/490923719.db2.gz CBOAICNRADNPBT-MSOLQXFVSA-N 2 0 372.579 0.758 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000530880865 490929694 /nfs/dbraw/zinc/92/96/94/490929694.db2.gz XNFOIKDIAPQFQW-QGZVFWFLSA-N 2 0 367.538 0.866 20 0 FCADRP COC[C@]1(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000572366994 491365227 /nfs/dbraw/zinc/36/52/27/491365227.db2.gz GQSSCQMLZJFFBF-HXUWFJFHSA-N 2 0 360.502 0.932 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000518246579 490934570 /nfs/dbraw/zinc/93/45/70/490934570.db2.gz ODGNMPKMFGXDPQ-KRWDZBQOSA-N 2 0 370.538 0.650 20 0 FCADRP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000518348505 490937045 /nfs/dbraw/zinc/93/70/45/490937045.db2.gz SLAHYHGHEAKKFA-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]12 ZINC000518514680 490943824 /nfs/dbraw/zinc/94/38/24/490943824.db2.gz IMSPEHRJCDAOGC-WTNVTLLGSA-N 2 0 360.502 0.657 20 0 FCADRP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189493 490945294 /nfs/dbraw/zinc/94/52/94/490945294.db2.gz GELNSVSYPGLTFI-MRXNPFEDSA-N 2 0 363.510 0.826 20 0 FCADRP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252965 491366035 /nfs/dbraw/zinc/36/60/35/491366035.db2.gz FZXVTQIFIYOGPQ-DJIMGWMZSA-N 2 0 359.474 0.460 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)CC[C@@H]21 ZINC000518960819 490957090 /nfs/dbraw/zinc/95/70/90/490957090.db2.gz VVTBPKUWMDPPPG-FJIDUMEYSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000519369879 490969961 /nfs/dbraw/zinc/96/99/61/490969961.db2.gz GFEFYDHPNGYFIW-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000531770666 490973306 /nfs/dbraw/zinc/97/33/06/490973306.db2.gz KGUCCXAVGUJWBB-QZTJIDSGSA-N 3 0 369.554 0.499 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)CC1 ZINC000531838328 490976166 /nfs/dbraw/zinc/97/61/66/490976166.db2.gz XRYTUPIMJQWHRC-ZWKOTPCHSA-N 2 0 366.554 0.042 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519643566 490981543 /nfs/dbraw/zinc/98/15/43/490981543.db2.gz SVZGNZYQISZGBI-WBVHZDCISA-N 2 0 350.507 0.635 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000519652781 490982689 /nfs/dbraw/zinc/98/26/89/490982689.db2.gz QTUGCATZNHQAQN-DOTOQJQBSA-N 2 0 359.474 0.373 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000519691289 490984116 /nfs/dbraw/zinc/98/41/16/490984116.db2.gz RWLPSFPXOGRLIR-DYEKYZERSA-N 2 0 363.428 0.747 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532282234 490990375 /nfs/dbraw/zinc/99/03/75/490990375.db2.gz FNYYBCPBIOXBEZ-SJORKVTESA-N 2 0 368.522 0.462 20 0 FCADRP CC(CN1CC[NH+](CC(C)(C)O)CC1)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000532546320 490994038 /nfs/dbraw/zinc/99/40/38/490994038.db2.gz CYZWYTRADIUIAU-UHFFFAOYSA-N 2 0 370.582 0.400 20 0 FCADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562442362 491166016 /nfs/dbraw/zinc/16/60/16/491166016.db2.gz PUGCEZOGPBWIFA-LNLFQRSKSA-N 2 0 357.539 0.747 20 0 FCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000569697514 491182637 /nfs/dbraw/zinc/18/26/37/491182637.db2.gz QJHDTWJIXWLPHP-AWEZNQCLSA-N 2 0 370.461 0.429 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1(C)C ZINC000569719459 491185222 /nfs/dbraw/zinc/18/52/22/491185222.db2.gz BPQRCWSCNCKJOR-FCEWJHQRSA-N 2 0 352.523 0.757 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H]1[NH3+] ZINC000572467447 491372214 /nfs/dbraw/zinc/37/22/14/491372214.db2.gz SVYKOAOJZPRWGP-KCPJHIHWSA-N 2 0 352.866 0.865 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccc(F)cc1 ZINC000565411634 491375091 /nfs/dbraw/zinc/37/50/91/491375091.db2.gz YMQFZNHNZMTDIV-SFHVURJKSA-N 2 0 363.481 0.947 20 0 FCADRP O=C(CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000565646161 491390947 /nfs/dbraw/zinc/39/09/47/491390947.db2.gz BWBZDDLZBCCKGL-SFHVURJKSA-N 2 0 373.501 0.282 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000572762137 491392082 /nfs/dbraw/zinc/39/20/82/491392082.db2.gz DUZFBPXWDBRGPA-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751274 491395833 /nfs/dbraw/zinc/39/58/33/491395833.db2.gz RCVYZQAVQOJELS-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845401 491397147 /nfs/dbraw/zinc/39/71/47/491397147.db2.gz QNUPHNFJHIZAIC-IKGGRYGDSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565765723 491398011 /nfs/dbraw/zinc/39/80/11/491398011.db2.gz GYKHGOJFACXMDK-UHFFFAOYSA-N 2 0 373.501 0.724 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000572897665 491400848 /nfs/dbraw/zinc/40/08/48/491400848.db2.gz RNUIGPJBKFPMMF-INIZCTEOSA-N 2 0 350.511 0.448 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000573019071 491407556 /nfs/dbraw/zinc/40/75/56/491407556.db2.gz MKVQTKSAWFZMRU-HXUWFJFHSA-N 2 0 373.501 0.167 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000558010425 491408959 /nfs/dbraw/zinc/40/89/59/491408959.db2.gz JODAQDFGCFLQPQ-MRXNPFEDSA-N 2 0 356.511 0.402 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070849 491410386 /nfs/dbraw/zinc/41/03/86/491410386.db2.gz ASXIDAGRMKGRPI-TZMCWYRMSA-N 2 0 350.467 1.384 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H](C)C1 ZINC000573102920 491412950 /nfs/dbraw/zinc/41/29/50/491412950.db2.gz RBSNOBZYFHYIMY-HZPDHXFCSA-N 2 0 356.511 0.260 20 0 FCADRP C[NH+](C)CCOc1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000566106921 491417589 /nfs/dbraw/zinc/41/75/89/491417589.db2.gz CCBKEXIPVVMPTM-UHFFFAOYSA-N 2 0 356.488 0.656 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000573192651 491418029 /nfs/dbraw/zinc/41/80/29/491418029.db2.gz ADRSPPXGCLVWOU-CQSZACIVSA-N 2 0 368.522 0.591 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000573209115 491419172 /nfs/dbraw/zinc/41/91/72/491419172.db2.gz YWBKJVXXJZZLPC-LSDHHAIUSA-N 2 0 369.462 0.246 20 0 FCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)c3cn(CCC[NH3+])nn3)nc2)CC1 ZINC000566190490 491424308 /nfs/dbraw/zinc/42/43/08/491424308.db2.gz CMRJEUQIGIMIFG-UHFFFAOYSA-N 2 0 372.477 0.805 20 0 FCADRP NC(=O)[C@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000566207539 491425953 /nfs/dbraw/zinc/42/59/53/491425953.db2.gz GRVZNTLBDDZPLJ-HZPDHXFCSA-N 2 0 360.458 0.129 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321423 491426343 /nfs/dbraw/zinc/42/63/43/491426343.db2.gz UVNVJLVIKCZFKV-ICSRJNTNSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000566236862 491428803 /nfs/dbraw/zinc/42/88/03/491428803.db2.gz CEFSDMFFNAFHHB-YJBOKZPZSA-N 2 0 358.486 0.919 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000558418626 491429902 /nfs/dbraw/zinc/42/99/02/491429902.db2.gz KMDYXODUEQJHSP-AWEZNQCLSA-N 2 0 362.465 0.880 20 0 FCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000566244931 491430151 /nfs/dbraw/zinc/43/01/51/491430151.db2.gz COLXYVPXLUZJJY-UONOGXRCSA-N 2 0 366.487 0.594 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000573396395 491430907 /nfs/dbraw/zinc/43/09/07/491430907.db2.gz QLIOQWMYMYVZHT-CHWSQXEVSA-N 2 0 364.437 0.215 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000566296084 491433298 /nfs/dbraw/zinc/43/32/98/491433298.db2.gz OYFURMXSXTZICO-HNNXBMFYSA-N 2 0 357.520 0.488 20 0 FCADRP NC(=O)[C@H]1CCCN(CCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000573437967 491433505 /nfs/dbraw/zinc/43/35/05/491433505.db2.gz STNGVCNXTRQFIJ-AWEZNQCLSA-N 2 0 371.478 0.776 20 0 FCADRP CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000573561575 491440677 /nfs/dbraw/zinc/44/06/77/491440677.db2.gz PGPHKPAQGZJIPE-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000660331247 493343144 /nfs/dbraw/zinc/34/31/44/493343144.db2.gz ZHTBSYQZHBOEHD-SFHVURJKSA-N 2 0 373.501 0.771 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000573578656 491442024 /nfs/dbraw/zinc/44/20/24/491442024.db2.gz FZYVDPHSMJMGIL-IRXDYDNUSA-N 2 0 359.474 0.462 20 0 FCADRP C[C@@H](CN1CCOCC1)NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000566699308 491461621 /nfs/dbraw/zinc/46/16/21/491461621.db2.gz BCXYZZSVLDEHNW-HNNXBMFYSA-N 2 0 365.478 0.542 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573942107 491464444 /nfs/dbraw/zinc/46/44/44/491464444.db2.gz BNAVAEMJUYWPHO-UONOGXRCSA-N 2 0 365.444 0.804 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000573952742 491465083 /nfs/dbraw/zinc/46/50/83/491465083.db2.gz PWEAVMRODCUVDG-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000559415992 491470963 /nfs/dbraw/zinc/47/09/63/491470963.db2.gz LBZSWIRASRAPJS-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC000574191066 491480144 /nfs/dbraw/zinc/48/01/44/491480144.db2.gz ATFRELAOSCCBHX-RWQQGDIJSA-N 2 0 370.497 0.786 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559574790 491482567 /nfs/dbraw/zinc/48/25/67/491482567.db2.gz NCHQEVBGXZZWKU-MRXNPFEDSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567139121 491488073 /nfs/dbraw/zinc/48/80/73/491488073.db2.gz DSOSIRIQONRPQZ-SJORKVTESA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000567139118 491488091 /nfs/dbraw/zinc/48/80/91/491488091.db2.gz DSOSIRIQONRPQZ-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000567201682 491491733 /nfs/dbraw/zinc/49/17/33/491491733.db2.gz HQNQYYNCDZLFCI-BZUAXINKSA-N 2 0 353.511 0.746 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390209 493346173 /nfs/dbraw/zinc/34/61/73/493346173.db2.gz NRWPPIXIEHOIDV-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484686 491500131 /nfs/dbraw/zinc/50/01/31/491500131.db2.gz REQABNWJYZULTO-LJIGWXMPSA-N 2 0 366.506 0.201 20 0 FCADRP Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000574499540 491500591 /nfs/dbraw/zinc/50/05/91/491500591.db2.gz RXQSLNYAQDAGCQ-HNNXBMFYSA-N 2 0 374.485 0.931 20 0 FCADRP CCC(CC)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000574515793 491502099 /nfs/dbraw/zinc/50/20/99/491502099.db2.gz UYWSOYYQBQBCKT-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000559834679 491503719 /nfs/dbraw/zinc/50/37/19/491503719.db2.gz WMJOVSKXVCIVBR-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000559863927 491505616 /nfs/dbraw/zinc/50/56/16/491505616.db2.gz WLFMYYZBNIMSQQ-KRWDZBQOSA-N 2 0 356.536 0.388 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868685 491506918 /nfs/dbraw/zinc/50/69/18/491506918.db2.gz TUQQWBPKODZGEE-YJBOKZPZSA-N 2 0 368.547 0.484 20 0 FCADRP Cc1ccc([C@H](NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000567487721 491508880 /nfs/dbraw/zinc/50/88/80/491508880.db2.gz XYVRHXAIXWRTDE-SCTDSRPQSA-N 2 0 356.470 0.806 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567494191 491510145 /nfs/dbraw/zinc/51/01/45/491510145.db2.gz UEDLOJRVJYPSFE-NVXWUHKLSA-N 2 0 365.474 0.438 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000567571908 491514813 /nfs/dbraw/zinc/51/48/13/491514813.db2.gz MIAQKJBWRBZZOV-HNNXBMFYSA-N 2 0 355.552 0.551 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000560024577 491515986 /nfs/dbraw/zinc/51/59/86/491515986.db2.gz MUWUWFZTRVRIPD-SJORKVTESA-N 2 0 366.506 0.035 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560024463 491516127 /nfs/dbraw/zinc/51/61/27/491516127.db2.gz LNUIIMQGYITMHB-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000574907351 491527299 /nfs/dbraw/zinc/52/72/99/491527299.db2.gz ZDZVHOXWHNJZGX-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000560300861 491529694 /nfs/dbraw/zinc/52/96/94/491529694.db2.gz VKKZYUGBWLPWNE-WMZOPIPTSA-N 2 0 360.502 0.828 20 0 FCADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567835538 491533251 /nfs/dbraw/zinc/53/32/51/491533251.db2.gz VBCFGLCFYNNRKY-WMZOPIPTSA-N 2 0 356.470 0.544 20 0 FCADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000575026711 491534370 /nfs/dbraw/zinc/53/43/70/491534370.db2.gz RKCVDONIDQCMAA-MAUKXSAKSA-N 2 0 361.490 0.717 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038289 491535220 /nfs/dbraw/zinc/53/52/20/491535220.db2.gz LTEHPTVZIYHRGJ-CHWSQXEVSA-N 2 0 351.417 0.558 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000575052579 491535964 /nfs/dbraw/zinc/53/59/64/491535964.db2.gz CCMFNXFAQGIEDU-DOTOQJQBSA-N 2 0 352.479 0.335 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000575203890 491545393 /nfs/dbraw/zinc/54/53/93/491545393.db2.gz HJLDEVNVVWXFEV-QGZVFWFLSA-N 2 0 367.538 0.073 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000567990265 491545698 /nfs/dbraw/zinc/54/56/98/491545698.db2.gz OVGNRVPVRYLTQC-UHFFFAOYSA-N 3 0 361.534 0.654 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000568061211 491551103 /nfs/dbraw/zinc/55/11/03/491551103.db2.gz ONFODLPNCWEZRP-INIZCTEOSA-N 2 0 358.486 0.748 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000560670143 491551943 /nfs/dbraw/zinc/55/19/43/491551943.db2.gz OMKTXZWWUMFEJX-VYDXJSESSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000560763097 491555642 /nfs/dbraw/zinc/55/56/42/491555642.db2.gz LOESDANNJKWLQI-JKSUJKDBSA-N 2 0 350.507 0.990 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000575812822 491562613 /nfs/dbraw/zinc/56/26/13/491562613.db2.gz SLLJVTWDXHXFEJ-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000575886244 491567730 /nfs/dbraw/zinc/56/77/30/491567730.db2.gz JFQFKQBGTMKGED-AEFFLSMTSA-N 2 0 360.502 0.828 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295695 491568041 /nfs/dbraw/zinc/56/80/41/491568041.db2.gz LUFXNSQDHACJEI-KZNAEPCWSA-N 2 0 371.485 0.604 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000575898678 491568602 /nfs/dbraw/zinc/56/86/02/491568602.db2.gz YFBMXCLGVFHMTQ-QZTJIDSGSA-N 2 0 362.474 0.565 20 0 FCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575920686 491570226 /nfs/dbraw/zinc/57/02/26/491570226.db2.gz JEFZBLPVJVVWOS-MRXNPFEDSA-N 2 0 357.462 0.629 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]1 ZINC000576015607 491576522 /nfs/dbraw/zinc/57/65/22/491576522.db2.gz ALEGNCJLLUUHIM-IUODEOHRSA-N 2 0 352.866 0.879 20 0 FCADRP O=C(CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000561128129 491577421 /nfs/dbraw/zinc/57/74/21/491577421.db2.gz JZMSOQHXTIOXAR-UHFFFAOYSA-N 2 0 359.474 0.166 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000576036476 491577500 /nfs/dbraw/zinc/57/75/00/491577500.db2.gz SLTDZXYKUFZDIT-KRWDZBQOSA-N 2 0 366.506 0.348 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC000561174916 491580431 /nfs/dbraw/zinc/58/04/31/491580431.db2.gz FEOMYVVUELZARO-INIZCTEOSA-N 2 0 362.474 0.448 20 0 FCADRP CN(CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000577062656 491585348 /nfs/dbraw/zinc/58/53/48/491585348.db2.gz VBPQHHDLNXJANL-CQSZACIVSA-N 2 0 355.280 0.813 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC000576146832 491585975 /nfs/dbraw/zinc/58/59/75/491585975.db2.gz FLDPFZLFKZFBJX-HXUWFJFHSA-N 2 0 362.518 0.923 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000660469813 493353580 /nfs/dbraw/zinc/35/35/80/493353580.db2.gz KWEKIAWDBRTCPQ-GOSISDBHSA-N 2 0 352.523 0.774 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000584459983 491593752 /nfs/dbraw/zinc/59/37/52/491593752.db2.gz ISXKQPMLGHFGQR-WBVHZDCISA-N 2 0 362.474 0.118 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000584465152 491594540 /nfs/dbraw/zinc/59/45/40/491594540.db2.gz VURRWQPTQOYXCX-INIZCTEOSA-N 2 0 351.495 0.460 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000577218836 491603802 /nfs/dbraw/zinc/60/38/02/491603802.db2.gz LAIOKZGSKAJVJF-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000568729588 491604264 /nfs/dbraw/zinc/60/42/64/491604264.db2.gz PPGIQYAXSAERMZ-MSOLQXFVSA-N 2 0 352.523 0.820 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000568766662 491608046 /nfs/dbraw/zinc/60/80/46/491608046.db2.gz DPJVDDYGEQGLOA-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000576399790 491611636 /nfs/dbraw/zinc/61/16/36/491611636.db2.gz PZJRIFDQWVIZPY-HUUCEWRRSA-N 2 0 373.900 0.828 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000561492195 491612924 /nfs/dbraw/zinc/61/29/24/491612924.db2.gz HPNVLWZDAMKGTH-UHFFFAOYSA-N 2 0 365.522 0.668 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000577371054 491615892 /nfs/dbraw/zinc/61/58/92/491615892.db2.gz KFZUBZKTVMQNRN-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000561674749 491624059 /nfs/dbraw/zinc/62/40/59/491624059.db2.gz GFNOLQPMJIVIOP-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000569066165 491631409 /nfs/dbraw/zinc/63/14/09/491631409.db2.gz UDMPCVHVDHKMQB-MHGIMSBQSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@@]1(C)C[NH3+] ZINC000576688803 491636026 /nfs/dbraw/zinc/63/60/26/491636026.db2.gz FKSRWJCJTJZLBB-YKTARERQSA-N 2 0 365.522 0.603 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968645 491642976 /nfs/dbraw/zinc/64/29/76/491642976.db2.gz OFXKXMWQIDJLPZ-ZBFHGGJFSA-N 2 0 350.507 0.990 20 0 FCADRP CNC(=O)[C@@H](NC(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943487 491658706 /nfs/dbraw/zinc/65/87/06/491658706.db2.gz KSGWFQLWKGSVGA-HKUYNNGSSA-N 2 0 358.486 0.911 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000668465901 493359244 /nfs/dbraw/zinc/35/92/44/493359244.db2.gz MWTPTFPADMJJDV-SFHVURJKSA-N 2 0 373.501 0.763 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000577999459 491667328 /nfs/dbraw/zinc/66/73/28/491667328.db2.gz BKFSQSWGPHTBIC-GJZGRUSLSA-N 2 0 352.866 0.927 20 0 FCADRP CC1(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000578306616 491674300 /nfs/dbraw/zinc/67/43/00/491674300.db2.gz ZGULGVWVWARKOU-KRWDZBQOSA-N 2 0 356.536 0.883 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000578340921 491675151 /nfs/dbraw/zinc/67/51/51/491675151.db2.gz NIKPDHVJDLUBDW-GOEBONIOSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578504379 491678651 /nfs/dbraw/zinc/67/86/51/491678651.db2.gz BSOMOYHLDARNPZ-CVEARBPZSA-N 2 0 363.510 0.804 20 0 FCADRP C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000578745403 491683400 /nfs/dbraw/zinc/68/34/00/491683400.db2.gz RZPZTIYCQWZCKE-SJLPKXTDSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000578908503 491686963 /nfs/dbraw/zinc/68/69/63/491686963.db2.gz FCOVHWOUZLHUKK-MRXNPFEDSA-N 2 0 368.522 0.579 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000578996724 491688690 /nfs/dbraw/zinc/68/86/90/491688690.db2.gz RWRNLBJAJUMISS-DLBZAZTESA-N 2 0 368.522 0.594 20 0 FCADRP NC(=O)NC(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000579112121 491691205 /nfs/dbraw/zinc/69/12/05/491691205.db2.gz APHIXEJALITHHS-HNNXBMFYSA-N 2 0 361.446 0.059 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579227246 491693408 /nfs/dbraw/zinc/69/34/08/491693408.db2.gz XKXCCAKUQJOKBT-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(NCC1(N2CCOCC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579429362 491697753 /nfs/dbraw/zinc/69/77/53/491697753.db2.gz PTCFOQXUIDGFHC-HXUWFJFHSA-N 2 0 359.470 0.604 20 0 FCADRP COC[C@]1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]1 ZINC000579453020 491697958 /nfs/dbraw/zinc/69/79/58/491697958.db2.gz VKTLKUHNNCRESZ-GOSISDBHSA-N 2 0 354.495 0.509 20 0 FCADRP CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822369 491705946 /nfs/dbraw/zinc/70/59/46/491705946.db2.gz BMOMZYBHRAFHJS-XLIONFOSSA-N 2 0 358.486 0.996 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C[C@@H]1O ZINC000579852044 491706965 /nfs/dbraw/zinc/70/69/65/491706965.db2.gz ZXNJFOIHZSZCJH-OALUTQOASA-N 2 0 361.486 0.638 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000584580816 491708345 /nfs/dbraw/zinc/70/83/45/491708345.db2.gz OHSZONRKTLIYCG-QBPKDAKJSA-N 2 0 363.506 0.228 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781437 491714306 /nfs/dbraw/zinc/71/43/06/491714306.db2.gz OOGLTJXPRGIBIX-DLBZAZTESA-N 2 0 374.485 0.886 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1)CC[NH2+]CC2 ZINC000580422564 491730521 /nfs/dbraw/zinc/73/05/21/491730521.db2.gz SPVYOMYDRMXVSD-QQFBHYJXSA-N 2 0 350.507 0.966 20 0 FCADRP CN(CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C[C@@H](O)C[NH3+] ZINC000580451722 491732002 /nfs/dbraw/zinc/73/20/02/491732002.db2.gz JNVRERSBRVFEFC-IBGZPJMESA-N 2 0 370.497 0.735 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580529215 491734615 /nfs/dbraw/zinc/73/46/15/491734615.db2.gz WXWQRUQGTUHKBR-MRXNPFEDSA-N 2 0 374.485 0.840 20 0 FCADRP CN1CCN(C(=O)CCn2cc(Br)ccc2=O)[C@H](C[NH3+])C1 ZINC000580561493 491736153 /nfs/dbraw/zinc/73/61/53/491736153.db2.gz DCVFTFUAGOOJGB-GFCCVEGCSA-N 2 0 357.252 0.102 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1cccc(F)c1 ZINC000580645570 491739961 /nfs/dbraw/zinc/73/99/61/491739961.db2.gz MDAKHJLNPIZYOH-JKSUJKDBSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCO1 ZINC000581125318 491760348 /nfs/dbraw/zinc/76/03/48/491760348.db2.gz LQMTUNNVHXUHTQ-INIZCTEOSA-N 2 0 352.479 0.040 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581500302 491775306 /nfs/dbraw/zinc/77/53/06/491775306.db2.gz MXOUUOGRAIWUSN-MOPGFXCFSA-N 2 0 372.513 0.878 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000590497119 491777932 /nfs/dbraw/zinc/77/79/32/491777932.db2.gz QCPIQZYFKGSRCR-GOSISDBHSA-N 2 0 352.523 0.727 20 0 FCADRP CN(c1ccccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618669 491779934 /nfs/dbraw/zinc/77/99/34/491779934.db2.gz KOYKTDHBHZBAMD-RBUKOAKNSA-N 2 0 371.529 0.961 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581683130 491782849 /nfs/dbraw/zinc/78/28/49/491782849.db2.gz CAMSZEUMZSQISR-HRCADAONSA-N 2 0 356.511 0.448 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000581747632 491785498 /nfs/dbraw/zinc/78/54/98/491785498.db2.gz SGSIWOJQWDHGTM-BZUAXINKSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1cc(Br)cn1 ZINC000590817178 491787420 /nfs/dbraw/zinc/78/74/20/491787420.db2.gz QFMKAUTZPNEWJP-UHFFFAOYSA-N 2 0 360.300 0.988 20 0 FCADRP COC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000582000274 491793525 /nfs/dbraw/zinc/79/35/25/491793525.db2.gz GHQZEHPCMRDJDG-HXUWFJFHSA-N 2 0 360.502 0.941 20 0 FCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582112117 491798317 /nfs/dbraw/zinc/79/83/17/491798317.db2.gz RQRQZSPQDAYMEU-KWJBXHGQSA-N 2 0 363.506 0.356 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668499224 493364654 /nfs/dbraw/zinc/36/46/54/493364654.db2.gz CJDWANCNRYWLSZ-WBVHZDCISA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668499218 493364727 /nfs/dbraw/zinc/36/47/27/493364727.db2.gz CJDWANCNRYWLSZ-RDJZCZTQSA-N 2 0 366.506 0.204 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582438035 491812657 /nfs/dbraw/zinc/81/26/57/491812657.db2.gz RQGASYXKTBXTRY-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP CC(C)C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000582475539 491813764 /nfs/dbraw/zinc/81/37/64/491813764.db2.gz SRTZRUSFWPHFEX-ZWKOTPCHSA-N 2 0 367.538 0.422 20 0 FCADRP CC[NH+]1CCC(NC(=O)COCC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000591798133 491823612 /nfs/dbraw/zinc/82/36/12/491823612.db2.gz HHGMNBKCCZGXDU-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]21 ZINC000582846039 491829148 /nfs/dbraw/zinc/82/91/48/491829148.db2.gz UVSIKWDPIOPUPP-YESZJQIVSA-N 2 0 350.507 0.955 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852501 491829437 /nfs/dbraw/zinc/82/94/37/491829437.db2.gz DWJQHKJFSUJETQ-HOTGVXAUSA-N 2 0 370.538 0.552 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583138211 491838913 /nfs/dbraw/zinc/83/89/13/491838913.db2.gz ZVGFCINOXVVTQJ-QRQLOZEOSA-N 2 0 370.497 0.787 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000583806720 491852423 /nfs/dbraw/zinc/85/24/23/491852423.db2.gz VEQIFZZNLVEIBW-KZNAEPCWSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000584126908 491859120 /nfs/dbraw/zinc/85/91/20/491859120.db2.gz CLBINWHBOSYMEN-UHFFFAOYSA-N 2 0 367.538 0.071 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000584172770 491859979 /nfs/dbraw/zinc/85/99/79/491859979.db2.gz DLXPXVNUOHOQBK-KGLIPLIRSA-N 2 0 352.454 0.958 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000584192645 491860469 /nfs/dbraw/zinc/86/04/69/491860469.db2.gz JDDZXGFFJDOZQC-UHFFFAOYSA-N 2 0 352.454 0.784 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584288961 491862191 /nfs/dbraw/zinc/86/21/91/491862191.db2.gz NFQVWPPHQUOSCU-GOSISDBHSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000611642291 491864348 /nfs/dbraw/zinc/86/43/48/491864348.db2.gz WQKJRAIHPMAPOJ-ARFHVFGLSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649018 491865114 /nfs/dbraw/zinc/86/51/14/491865114.db2.gz LYACCWURWLTPRT-KBXCAEBGSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000611651033 491865803 /nfs/dbraw/zinc/86/58/03/491865803.db2.gz UASRGAVNSSLQAY-HLLBOEOZSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)CCOCC[NH3+] ZINC000600734573 491879763 /nfs/dbraw/zinc/87/97/63/491879763.db2.gz HJKZKMRIHYKHSP-LBPRGKRZSA-N 2 0 366.418 0.402 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000601313164 491903488 /nfs/dbraw/zinc/90/34/88/491903488.db2.gz POOIOMYHPJMDCT-SFHVURJKSA-N 2 0 362.522 0.685 20 0 FCADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337837 491921959 /nfs/dbraw/zinc/92/19/59/491921959.db2.gz LRIKQQNHIHKNFT-IRXDYDNUSA-N 2 0 366.506 0.251 20 0 FCADRP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337838 491921989 /nfs/dbraw/zinc/92/19/89/491921989.db2.gz LRIKQQNHIHKNFT-SJORKVTESA-N 2 0 366.506 0.251 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546878 491932010 /nfs/dbraw/zinc/93/20/10/491932010.db2.gz WUSSXBXNQHRLNQ-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000612599230 491938062 /nfs/dbraw/zinc/93/80/62/491938062.db2.gz RIZSUKFHBZZHCB-IAGOWNOFSA-N 2 0 364.490 0.053 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612929143 491959009 /nfs/dbraw/zinc/95/90/09/491959009.db2.gz IFEGUXXKPQJLJC-RRFJBIMHSA-N 2 0 363.510 0.834 20 0 FCADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000595894678 491959950 /nfs/dbraw/zinc/95/99/50/491959950.db2.gz YLMVPKNRUNGTMS-HRCADAONSA-N 2 0 353.463 0.369 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000602531071 491992246 /nfs/dbraw/zinc/99/22/46/491992246.db2.gz XGTVRAFBUBXYCP-YNEHKIRRSA-N 2 0 356.348 0.476 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985718 492008660 /nfs/dbraw/zinc/00/86/60/492008660.db2.gz JVICWLKLGUSWQY-KWRZAIAESA-N 2 0 350.507 0.820 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604388471 492059547 /nfs/dbraw/zinc/05/95/47/492059547.db2.gz FAWAQOLEOBHRNC-IBGZPJMESA-N 2 0 365.566 0.687 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604667707 492067209 /nfs/dbraw/zinc/06/72/09/492067209.db2.gz IDMZNHLPBBAXGS-SFHVURJKSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668153 492067628 /nfs/dbraw/zinc/06/76/28/492067628.db2.gz SWUUBRYRNZOAPT-ZWKOTPCHSA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668152 492067831 /nfs/dbraw/zinc/06/78/31/492067831.db2.gz SWUUBRYRNZOAPT-ROUUACIJSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)O1)C[NH+](C)C ZINC000615176796 492077204 /nfs/dbraw/zinc/07/72/04/492077204.db2.gz MHRZMRZXNHOMEN-FPCVCCKLSA-N 2 0 356.511 0.162 20 0 FCADRP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[C@H](C(=O)N3CC(C[NH+](C)C)C3)C2)C1 ZINC000615505128 492092886 /nfs/dbraw/zinc/09/28/86/492092886.db2.gz NSZZUOWCOSCLQZ-ROUUACIJSA-N 2 0 364.534 0.833 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000605884696 492104792 /nfs/dbraw/zinc/10/47/92/492104792.db2.gz UAYCHWUWODHFIN-GOEBONIOSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665584 492126283 /nfs/dbraw/zinc/12/62/83/492126283.db2.gz HOKCZPMVXGAOSK-DOTOQJQBSA-N 2 0 367.538 0.959 20 0 FCADRP C[C@@H](NC(=O)N1CCO[C@H](CN2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700705 492127297 /nfs/dbraw/zinc/12/72/97/492127297.db2.gz OXDLDLKBCXZXEO-SJLPKXTDSA-N 2 0 367.538 0.375 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607245344 492142058 /nfs/dbraw/zinc/14/20/58/492142058.db2.gz LRVPMBZXNZVMKX-HOTGVXAUSA-N 2 0 355.527 0.768 20 0 FCADRP COC(=O)Cc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000616850286 492146029 /nfs/dbraw/zinc/14/60/29/492146029.db2.gz HARRWTJIYJZIRJ-UHFFFAOYSA-N 2 0 351.451 0.754 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608013493 492162338 /nfs/dbraw/zinc/16/23/38/492162338.db2.gz KGUAXJIGUHEIIJ-XLIONFOSSA-N 2 0 360.502 0.376 20 0 FCADRP CC(=O)N(C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000608023448 492163084 /nfs/dbraw/zinc/16/30/84/492163084.db2.gz SRDZRVQJWUMWGI-UHFFFAOYSA-N 2 0 370.519 0.783 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000608687263 492186206 /nfs/dbraw/zinc/18/62/06/492186206.db2.gz DIJTXEMOMFAWKI-ZACQAIPSSA-N 2 0 353.511 0.175 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000608690672 492187117 /nfs/dbraw/zinc/18/71/17/492187117.db2.gz DQYIQAXKTJEUCK-SJORKVTESA-N 2 0 365.522 0.844 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641744032 492301484 /nfs/dbraw/zinc/30/14/84/492301484.db2.gz QHSBRTBBTUQEHP-GOSISDBHSA-N 2 0 367.538 0.568 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641778744 492304009 /nfs/dbraw/zinc/30/40/09/492304009.db2.gz XZVBQBYIURPZHU-MSOLQXFVSA-N 2 0 369.554 0.813 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000654450173 492305164 /nfs/dbraw/zinc/30/51/64/492305164.db2.gz DCRJCZKXNPRSLO-IXDOHACOSA-N 2 0 365.522 0.890 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000641823751 492310202 /nfs/dbraw/zinc/31/02/02/492310202.db2.gz AJVVHSDQYBWKIK-IBGZPJMESA-N 2 0 350.507 0.923 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627472741 492310583 /nfs/dbraw/zinc/31/05/83/492310583.db2.gz XJIINRVVEXKDRF-IRXDYDNUSA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826610 492310995 /nfs/dbraw/zinc/31/09/95/492310995.db2.gz OATZXMPUEFQRHT-ROUUACIJSA-N 2 0 369.554 0.811 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641828233 492311183 /nfs/dbraw/zinc/31/11/83/492311183.db2.gz UNRYFAUQNANADQ-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826608 492311346 /nfs/dbraw/zinc/31/13/46/492311346.db2.gz OATZXMPUEFQRHT-MSOLQXFVSA-N 2 0 369.554 0.811 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474295 492312394 /nfs/dbraw/zinc/31/23/94/492312394.db2.gz KZBTWKURDKBLMR-QGZVFWFLSA-N 2 0 374.485 0.214 20 0 FCADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000627474485 492312608 /nfs/dbraw/zinc/31/26/08/492312608.db2.gz PEWDEBYFSPYGKQ-CVEARBPZSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1=O ZINC000634089771 492320386 /nfs/dbraw/zinc/32/03/86/492320386.db2.gz MAMWMKJKGOAFCW-CQSZACIVSA-N 2 0 362.478 0.498 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC000627511500 492328008 /nfs/dbraw/zinc/32/80/08/492328008.db2.gz DDAPSMGCZPFEPL-ZDUSSCGKSA-N 2 0 366.466 0.231 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]1 ZINC000642094910 492333791 /nfs/dbraw/zinc/33/37/91/492333791.db2.gz QTQDAPQYGKYVIL-QZTJIDSGSA-N 2 0 360.502 0.732 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195161 492340300 /nfs/dbraw/zinc/34/03/00/492340300.db2.gz BSWLJZKXCISICI-FPCVCCKLSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCCCCC1 ZINC000642220437 492342461 /nfs/dbraw/zinc/34/24/61/492342461.db2.gz DHSCCLUZDULKCG-HOTGVXAUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000642222673 492342792 /nfs/dbraw/zinc/34/27/92/492342792.db2.gz SYXPNAHJAOIUJN-BZUAXINKSA-N 2 0 354.495 0.045 20 0 FCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236409 492343510 /nfs/dbraw/zinc/34/35/10/492343510.db2.gz NAVWWXYTGBWMKE-GGXPGOJBSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253975 492345524 /nfs/dbraw/zinc/34/55/24/492345524.db2.gz USLSQYKDGBZBTN-WMZOPIPTSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000642332354 492351842 /nfs/dbraw/zinc/35/18/42/492351842.db2.gz GGTMVWGBINBUEH-NXHRZFHOSA-N 2 0 373.501 0.039 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000642346544 492353940 /nfs/dbraw/zinc/35/39/40/492353940.db2.gz RBVZRGOTEWAEKY-ZACQAIPSSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642356703 492354998 /nfs/dbraw/zinc/35/49/98/492354998.db2.gz PLNBYCBCRRATBR-INIZCTEOSA-N 2 0 354.495 0.250 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642495874 492360055 /nfs/dbraw/zinc/36/00/55/492360055.db2.gz ZCHUBKAVBNGFDG-NXHRZFHOSA-N 2 0 358.486 0.834 20 0 FCADRP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793350 492363276 /nfs/dbraw/zinc/36/32/76/492363276.db2.gz USBHJARTNUUKBZ-USXIJHARSA-N 2 0 367.515 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642640159 492367965 /nfs/dbraw/zinc/36/79/65/492367965.db2.gz BAQIUCNZFGJPIY-BZUAXINKSA-N 2 0 354.495 0.045 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642640158 492368151 /nfs/dbraw/zinc/36/81/51/492368151.db2.gz BAQIUCNZFGJPIY-ARFHVFGLSA-N 2 0 354.495 0.045 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640946 492369055 /nfs/dbraw/zinc/36/90/55/492369055.db2.gz PTJDFMFARRXVRT-CGTJXYLNSA-N 2 0 356.470 0.491 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000642640889 492369204 /nfs/dbraw/zinc/36/92/04/492369204.db2.gz IWMVLRBTUUDWRN-GOSISDBHSA-N 2 0 374.485 0.262 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000642685499 492372477 /nfs/dbraw/zinc/37/24/77/492372477.db2.gz CDRSZQGHJKBFFQ-UHFFFAOYSA-N 2 0 362.474 0.583 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642731513 492381711 /nfs/dbraw/zinc/38/17/11/492381711.db2.gz XWMAJBUQDQREGY-GOSISDBHSA-N 2 0 358.486 0.808 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642732920 492383139 /nfs/dbraw/zinc/38/31/39/492383139.db2.gz CLJZKHDRVBCNGP-MJGOQNOKSA-N 2 0 370.497 0.761 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750927 492384408 /nfs/dbraw/zinc/38/44/08/492384408.db2.gz XRNJDZQGPQNDAV-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642750890 492385037 /nfs/dbraw/zinc/38/50/37/492385037.db2.gz PDFITYWDOBVPAJ-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750929 492386102 /nfs/dbraw/zinc/38/61/02/492386102.db2.gz XRNJDZQGPQNDAV-OWCLPIDISA-N 2 0 354.495 0.189 20 0 FCADRP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000647967711 492389430 /nfs/dbraw/zinc/38/94/30/492389430.db2.gz XACDSZGUJKXGTB-GBESFXJTSA-N 2 0 358.571 0.395 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647978421 492390093 /nfs/dbraw/zinc/39/00/93/492390093.db2.gz ROOOSUHJWLVWQC-KZNAEPCWSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978728 492390457 /nfs/dbraw/zinc/39/04/57/492390457.db2.gz XIFNJKOSJCWTFE-ROUUACIJSA-N 2 0 372.517 0.837 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905407 492400488 /nfs/dbraw/zinc/40/04/88/492400488.db2.gz LXMDVXZLVWKWRT-KRWDZBQOSA-N 2 0 364.465 0.974 20 0 FCADRP O=C([C@H]1C[NH2+]CCOC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119104 492402007 /nfs/dbraw/zinc/40/20/07/492402007.db2.gz OMXPOFITFKUIJE-UONOGXRCSA-N 2 0 350.488 0.850 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919010 492403926 /nfs/dbraw/zinc/40/39/26/492403926.db2.gz KWMZKSHDXZHUIW-INIZCTEOSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924108 492404893 /nfs/dbraw/zinc/40/48/93/492404893.db2.gz LDKMSKBTQVCAPF-FUHWJXTLSA-N 2 0 356.470 0.588 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000642982531 492410961 /nfs/dbraw/zinc/41/09/61/492410961.db2.gz WQIGIZVOVIMFKR-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983098 492410986 /nfs/dbraw/zinc/41/09/86/492410986.db2.gz GFVFNOOGVIGECN-AEFFLSMTSA-N 2 0 356.470 0.849 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)o1 ZINC000642982359 492411131 /nfs/dbraw/zinc/41/11/31/492411131.db2.gz UGSHNMYFVLBDEB-OAHLLOKOSA-N 2 0 350.463 0.737 20 0 FCADRP [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000621781779 492411659 /nfs/dbraw/zinc/41/16/59/492411659.db2.gz IPALKXBFHPJEAG-YLJYHZDGSA-N 2 0 364.534 0.951 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643003993 492412607 /nfs/dbraw/zinc/41/26/07/492412607.db2.gz HPPFISJVHZLRBJ-MSOLQXFVSA-N 2 0 374.485 0.214 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643003995 492412697 /nfs/dbraw/zinc/41/26/97/492412697.db2.gz HPPFISJVHZLRBJ-ROUUACIJSA-N 2 0 374.485 0.214 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000648177850 492413057 /nfs/dbraw/zinc/41/30/57/492413057.db2.gz XTSIQOPPFAKPHR-SJORKVTESA-N 2 0 361.490 0.707 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621838589 492421607 /nfs/dbraw/zinc/42/16/07/492421607.db2.gz GGSYZFBOOLFZQD-WPECMILSSA-N 2 0 350.507 0.809 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843919 492424591 /nfs/dbraw/zinc/42/45/91/492424591.db2.gz NLDYFEUYNKRSQD-GJYPPUQNSA-N 2 0 350.507 0.955 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845681 492426044 /nfs/dbraw/zinc/42/60/44/492426044.db2.gz NQNICEDFZIZREH-AUUYWEPGSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655446316 492442954 /nfs/dbraw/zinc/44/29/54/492442954.db2.gz NTKIWSBJRHJPQV-FXAWDEMLSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028215 492443485 /nfs/dbraw/zinc/44/34/85/492443485.db2.gz NYFZYBPBHYVCOI-KBXCAEBGSA-N 2 0 364.515 0.978 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028218 492443502 /nfs/dbraw/zinc/44/35/02/492443502.db2.gz NYFZYBPBHYVCOI-RDTXWAMCSA-N 2 0 364.515 0.978 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000622029446 492444305 /nfs/dbraw/zinc/44/43/05/492444305.db2.gz GRGWHKAZJOEGAS-YVTWGWGSSA-N 2 0 360.502 0.802 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551874 492454647 /nfs/dbraw/zinc/45/46/47/492454647.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 2 0 367.538 0.301 20 0 FCADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648780274 492454742 /nfs/dbraw/zinc/45/47/42/492454742.db2.gz ZYHUWIHEIACCHI-WRQOLXDDSA-N 2 0 352.523 0.924 20 0 FCADRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635551014 492468569 /nfs/dbraw/zinc/46/85/69/492468569.db2.gz KBNWQLNHHYGYAW-HNNXBMFYSA-N 2 0 352.523 0.927 20 0 FCADRP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551065 492468820 /nfs/dbraw/zinc/46/88/20/492468820.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 2 0 366.550 0.972 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635557925 492472346 /nfs/dbraw/zinc/47/23/46/492472346.db2.gz DITGDOKQQHOHKL-UHFFFAOYSA-N 2 0 354.539 0.735 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000643484714 492477979 /nfs/dbraw/zinc/47/79/79/492477979.db2.gz SYRXHLCZNIGOGB-UHFFFAOYSA-N 2 0 358.486 0.979 20 0 FCADRP O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643483375 492478135 /nfs/dbraw/zinc/47/81/35/492478135.db2.gz ZPUFUHKFODJZCV-HXUWFJFHSA-N 2 0 362.518 0.923 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000643498737 492482749 /nfs/dbraw/zinc/48/27/49/492482749.db2.gz MTJJRZSMCIDZRD-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643509807 492484414 /nfs/dbraw/zinc/48/44/14/492484414.db2.gz VZUDOVULGLXZNA-OKZBNKHCSA-N 2 0 362.518 0.779 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000643509738 492484495 /nfs/dbraw/zinc/48/44/95/492484495.db2.gz PHOPQVYHKJHSHO-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000643531749 492490506 /nfs/dbraw/zinc/49/05/06/492490506.db2.gz FSFIBHXYSZALNS-MSOLQXFVSA-N 2 0 374.485 0.296 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000643531830 492492011 /nfs/dbraw/zinc/49/20/11/492492011.db2.gz OXFUIBRWLBMHFA-SZMVWBNQSA-N 2 0 358.486 0.915 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1C[NH3+] ZINC000643549794 492496712 /nfs/dbraw/zinc/49/67/12/492496712.db2.gz QVMZATWJXXNIBY-KYHPRHEASA-N 2 0 362.518 0.905 20 0 FCADRP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643549769 492497193 /nfs/dbraw/zinc/49/71/93/492497193.db2.gz NVZNFQVKQVMFQZ-CIRFHOKZSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@H]1C[NH3+] ZINC000643549796 492497242 /nfs/dbraw/zinc/49/72/42/492497242.db2.gz QVMZATWJXXNIBY-XLMAVXFVSA-N 2 0 362.518 0.905 20 0 FCADRP C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970267 492499640 /nfs/dbraw/zinc/49/96/40/492499640.db2.gz GTTQZQPHAKHNSP-NCOADZHNSA-N 2 0 353.511 0.173 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000649132986 492503414 /nfs/dbraw/zinc/50/34/14/492503414.db2.gz WHWDVRQOJFLXMB-NRFANRHFSA-N 2 0 373.497 0.947 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649271738 492516618 /nfs/dbraw/zinc/51/66/18/492516618.db2.gz VEXMEYSEUVYFCO-UHFFFAOYSA-N 2 0 373.545 0.952 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656028694 492521457 /nfs/dbraw/zinc/52/14/57/492521457.db2.gz OTGUKGLILHLKQA-SJORKVTESA-N 2 0 350.507 0.968 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)CC1 ZINC000649295975 492525304 /nfs/dbraw/zinc/52/53/04/492525304.db2.gz MXQZKOXXTMVVKO-INIZCTEOSA-N 2 0 360.458 0.558 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccccc2O1 ZINC000649347131 492542373 /nfs/dbraw/zinc/54/23/73/492542373.db2.gz GPLCQUBAGKYHRS-AWEZNQCLSA-N 2 0 358.446 0.986 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000649366312 492548227 /nfs/dbraw/zinc/54/82/27/492548227.db2.gz UVFRKRGXCDVZPW-MSOLQXFVSA-N 2 0 357.458 0.296 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000656103072 492552278 /nfs/dbraw/zinc/55/22/78/492552278.db2.gz UNMKPAJYAMWCGL-UHFFFAOYSA-N 2 0 368.522 0.676 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc21 ZINC000636141469 492557287 /nfs/dbraw/zinc/55/72/87/492557287.db2.gz XMKPNEONDPSTOM-LSDHHAIUSA-N 2 0 373.457 0.195 20 0 FCADRP C[N@@H+]1CCCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571908 492568669 /nfs/dbraw/zinc/56/86/69/492568669.db2.gz LMABFHBKMQVEPY-HOTGVXAUSA-N 2 0 353.511 0.605 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000636522787 492609505 /nfs/dbraw/zinc/60/95/05/492609505.db2.gz NGMFGSKOJZKQJM-SJORKVTESA-N 2 0 356.511 0.489 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357859 492611538 /nfs/dbraw/zinc/61/15/38/492611538.db2.gz HHYYHMDMDJZIJY-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359334 492613583 /nfs/dbraw/zinc/61/35/83/492613583.db2.gz OUEBTLFRKWJBCN-ZWKOTPCHSA-N 2 0 371.485 0.863 20 0 FCADRP CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699408 492643571 /nfs/dbraw/zinc/64/35/71/492643571.db2.gz LIYVWRUKVDUTII-YLJYHZDGSA-N 2 0 374.485 0.884 20 0 FCADRP CC(C)[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699405 492643736 /nfs/dbraw/zinc/64/37/36/492643736.db2.gz LIYVWRUKVDUTII-FXAWDEMLSA-N 2 0 374.485 0.884 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561740 492645292 /nfs/dbraw/zinc/64/52/92/492645292.db2.gz ZCZORRHYDHXAQN-WOJBJXKFSA-N 2 0 374.529 0.930 20 0 FCADRP [NH3+]C[C@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000629568571 492647271 /nfs/dbraw/zinc/64/72/71/492647271.db2.gz UHPMISWHFLWQNG-STQMWFEESA-N 2 0 364.412 0.574 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162150 492656216 /nfs/dbraw/zinc/65/62/16/492656216.db2.gz BFNBZXVWGIABJX-PKOBYXMFSA-N 2 0 365.522 0.130 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000644194635 492665475 /nfs/dbraw/zinc/66/54/75/492665475.db2.gz UGFSKRMKFOJVAM-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)c(NCC[N@@H+]2CC[C@@H](O)C2)nc1C ZINC000624678019 492670860 /nfs/dbraw/zinc/67/08/60/492670860.db2.gz BWDGNTZREWLXMF-HZPDHXFCSA-N 2 0 364.494 0.050 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@@H]3[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000644228833 492673968 /nfs/dbraw/zinc/67/39/68/492673968.db2.gz TUTIOHXSVILVPF-NUJGCVRESA-N 2 0 373.501 0.551 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629794788 492674786 /nfs/dbraw/zinc/67/47/86/492674786.db2.gz CZPUSUJNXKLZMX-KDURUIRLSA-N 2 0 368.522 0.261 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000650892214 492682674 /nfs/dbraw/zinc/68/26/74/492682674.db2.gz HYMKGBFYYYWCDU-MRXNPFEDSA-N 2 0 353.511 0.701 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000629811180 492684160 /nfs/dbraw/zinc/68/41/60/492684160.db2.gz FJFDIWNHPXDTOQ-XHSDSOJGSA-N 2 0 354.495 0.010 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000629816469 492687524 /nfs/dbraw/zinc/68/75/24/492687524.db2.gz WMLIYDFQCFILNV-INIZCTEOSA-N 2 0 354.495 0.012 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644291249 492692837 /nfs/dbraw/zinc/69/28/37/492692837.db2.gz UXIMSOMOHXXKSQ-BBWFWOEESA-N 2 0 367.538 0.299 20 0 FCADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC(=O)N1 ZINC000624951717 492701566 /nfs/dbraw/zinc/70/15/66/492701566.db2.gz OIRPIMZZRUJHIP-NVXWUHKLSA-N 2 0 359.474 0.625 20 0 FCADRP CCN1C[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000651313487 492740124 /nfs/dbraw/zinc/74/01/24/492740124.db2.gz DFIOQUNFEWWIPL-RDJZCZTQSA-N 2 0 365.522 0.665 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651328231 492742743 /nfs/dbraw/zinc/74/27/43/492742743.db2.gz SNHBUEXCVYULLJ-UHFFFAOYSA-N 2 0 366.510 0.113 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000651327418 492742765 /nfs/dbraw/zinc/74/27/65/492742765.db2.gz BHIQOWOOFDSRQC-OAHLLOKOSA-N 2 0 351.499 0.358 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCCOCC1 ZINC000651543768 492777726 /nfs/dbraw/zinc/77/77/26/492777726.db2.gz GHEUVOAIJRMLCQ-MRXNPFEDSA-N 2 0 362.540 0.301 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000644562515 492786141 /nfs/dbraw/zinc/78/61/41/492786141.db2.gz VJJNTLWAEZEURL-HNNXBMFYSA-N 2 0 374.485 0.259 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000631065292 492796473 /nfs/dbraw/zinc/79/64/73/492796473.db2.gz QFNYCIRYBLEQPE-GFCCVEGCSA-N 2 0 360.911 0.713 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375357 492815051 /nfs/dbraw/zinc/81/50/51/492815051.db2.gz IWHZSAJHJQRZNH-JYJNAYRXSA-N 2 0 351.495 0.452 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000625549138 492817544 /nfs/dbraw/zinc/81/75/44/492817544.db2.gz JUXQPXMBRDMXMR-UHFFFAOYSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000631749103 492846630 /nfs/dbraw/zinc/84/66/30/492846630.db2.gz NNGTWCCHYIHNRH-IAGOWNOFSA-N 2 0 360.568 0.664 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631758549 492847366 /nfs/dbraw/zinc/84/73/66/492847366.db2.gz CPAMAVPWCRNIKP-ROUUACIJSA-N 2 0 374.595 0.911 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000631852559 492863820 /nfs/dbraw/zinc/86/38/20/492863820.db2.gz VMKLOECZPNUKIX-UHFFFAOYSA-N 2 0 369.535 0.465 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813457 492869265 /nfs/dbraw/zinc/86/92/65/492869265.db2.gz AGCQIAICGVWOIS-LJQANCHMSA-N 2 0 372.513 0.831 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000637819853 492870461 /nfs/dbraw/zinc/87/04/61/492870461.db2.gz RQTVOQPUZYCZGX-ZWKOTPCHSA-N 2 0 358.486 0.822 20 0 FCADRP C[NH+](C)CCCS(=O)(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000631895059 492871463 /nfs/dbraw/zinc/87/14/63/492871463.db2.gz LCGUBBSWYOPMJD-SFHVURJKSA-N 2 0 368.547 0.846 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645136018 492872272 /nfs/dbraw/zinc/87/22/72/492872272.db2.gz KJSHCWFLZPMKHG-RCCFBDPRSA-N 2 0 358.486 0.663 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000631901772 492873863 /nfs/dbraw/zinc/87/38/63/492873863.db2.gz NSAQFCSQTFFNFG-UHFFFAOYSA-N 2 0 369.535 0.118 20 0 FCADRP COc1cccc([C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[NH+](C)C)c1 ZINC000645178786 492875111 /nfs/dbraw/zinc/87/51/11/492875111.db2.gz PAGOXMXOORWIHX-SJORKVTESA-N 2 0 362.474 0.672 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000631913450 492879318 /nfs/dbraw/zinc/87/93/18/492879318.db2.gz KIVYPIJSTKAERW-UHFFFAOYSA-N 2 0 370.519 0.645 20 0 FCADRP COc1cc[nH+]c(N2CCN(S(=O)(=O)N(C)C3CC[NH2+]CC3)CC2)c1 ZINC000631918250 492883597 /nfs/dbraw/zinc/88/35/97/492883597.db2.gz XJIDYGGXYVMLAS-UHFFFAOYSA-N 2 0 369.491 0.141 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652159167 492888783 /nfs/dbraw/zinc/88/87/83/492888783.db2.gz SMZRTKNLDHWXJR-YESZJQIVSA-N 2 0 356.511 0.883 20 0 FCADRP C[C@@H]1CC2(CN1S(=O)(=O)CCCN1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000631947113 492894755 /nfs/dbraw/zinc/89/47/55/492894755.db2.gz UYQIXMUBEQMJJJ-MRXNPFEDSA-N 2 0 358.552 0.418 20 0 FCADRP COC[C@]1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCC[NH2+]1 ZINC000652218777 492895901 /nfs/dbraw/zinc/89/59/01/492895901.db2.gz AADJSKDMWYOIIU-NBOOPKSLSA-N 2 0 354.495 0.683 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000625864810 492895902 /nfs/dbraw/zinc/89/59/02/492895902.db2.gz KGGHTKJRSKTTKZ-OAHLLOKOSA-N 2 0 353.390 0.715 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638111777 492907949 /nfs/dbraw/zinc/90/79/49/492907949.db2.gz HIXKBJXPTURJEB-UHFFFAOYSA-N 2 0 372.513 0.934 20 0 FCADRP O=C(NC[C@H]1CCCN(C(=O)NCCC2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000652324063 492910382 /nfs/dbraw/zinc/91/03/82/492910382.db2.gz UXEWXGPODSDLDD-SJORKVTESA-N 2 0 365.522 0.666 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000632018853 492911146 /nfs/dbraw/zinc/91/11/46/492911146.db2.gz KMCKJZDZNNERDK-DLBZAZTESA-N 2 0 360.568 0.758 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625993168 492911967 /nfs/dbraw/zinc/91/19/67/492911967.db2.gz KYGUVXSUJTWZPZ-IBGZPJMESA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348165 492912952 /nfs/dbraw/zinc/91/29/52/492912952.db2.gz WGJJZDMOODWHLC-HMDCTGQHSA-N 2 0 366.506 0.317 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348462 492913023 /nfs/dbraw/zinc/91/30/23/492913023.db2.gz FGWABOUVCDHGQU-WNRNVDISSA-N 2 0 352.523 0.757 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652347971 492913645 /nfs/dbraw/zinc/91/36/45/492913645.db2.gz QLNFPZIYAPBVBG-BSDSXHPESA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638140240 492916627 /nfs/dbraw/zinc/91/66/27/492916627.db2.gz XQAXJTMVAHIXJP-UHFFFAOYSA-N 2 0 361.490 0.157 20 0 FCADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141427 492916720 /nfs/dbraw/zinc/91/67/20/492916720.db2.gz UHTMOJIPFZJGTQ-MJGOQNOKSA-N 3 0 361.490 0.477 20 0 FCADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000645535728 492922141 /nfs/dbraw/zinc/92/21/41/492922141.db2.gz IRBQAYRGBARLPH-SFHVURJKSA-N 2 0 361.490 0.992 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638209600 492922865 /nfs/dbraw/zinc/92/28/65/492922865.db2.gz KYZIUNBFWGKDMF-KRWDZBQOSA-N 2 0 358.486 0.721 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638209604 492923032 /nfs/dbraw/zinc/92/30/32/492923032.db2.gz KYZIUNBFWGKDMF-QGZVFWFLSA-N 2 0 358.486 0.721 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632129296 492936354 /nfs/dbraw/zinc/93/63/54/492936354.db2.gz HJRKDDIRWFJMBB-BRWVUGGUSA-N 2 0 359.536 0.986 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000638346723 492938117 /nfs/dbraw/zinc/93/81/17/492938117.db2.gz DRUAUPPONDVWBS-KURKYZTESA-N 2 0 359.470 0.792 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439458 492947853 /nfs/dbraw/zinc/94/78/53/492947853.db2.gz IDUAOJHSWQMBPF-HOTGVXAUSA-N 2 0 360.506 0.867 20 0 FCADRP CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638558235 492960255 /nfs/dbraw/zinc/96/02/55/492960255.db2.gz WEMJBJYCQIYXLW-NWDGAFQWSA-N 2 0 352.401 0.429 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000638555565 492960440 /nfs/dbraw/zinc/96/04/40/492960440.db2.gz YNWLJRPCGLWJFX-CYBMUJFWSA-N 2 0 374.938 0.961 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000638603386 492964393 /nfs/dbraw/zinc/96/43/93/492964393.db2.gz RYTOPZCZHTUDSE-HNNXBMFYSA-N 2 0 362.478 0.530 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000652547507 492967308 /nfs/dbraw/zinc/96/73/08/492967308.db2.gz LJFKHISOHFJCSS-IBGZPJMESA-N 2 0 350.507 0.875 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652622659 492971922 /nfs/dbraw/zinc/97/19/22/492971922.db2.gz QHFTZSFADSEHRA-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccn(-c3cc[nH+]cc3)n1)C2 ZINC000652628661 492973267 /nfs/dbraw/zinc/97/32/67/492973267.db2.gz IRFGVWZOZVUHIT-UGSOOPFHSA-N 2 0 354.414 0.215 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786896 492974828 /nfs/dbraw/zinc/97/48/28/492974828.db2.gz IDWGFJFOAFNNEB-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632332085 492975015 /nfs/dbraw/zinc/97/50/15/492975015.db2.gz WXCYBALUJORDFF-DLBZAZTESA-N 2 0 358.552 0.512 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786897 492975131 /nfs/dbraw/zinc/97/51/31/492975131.db2.gz IDWGFJFOAFNNEB-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638753514 492976384 /nfs/dbraw/zinc/97/63/84/492976384.db2.gz XJGLOOABBPIDDB-FUHWJXTLSA-N 2 0 369.473 0.736 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638754741 492976941 /nfs/dbraw/zinc/97/69/41/492976941.db2.gz DLARFJNOBSOLPC-WMZOPIPTSA-N 2 0 354.458 0.951 20 0 FCADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000638855328 492981575 /nfs/dbraw/zinc/98/15/75/492981575.db2.gz BAPVKGBQBWYOPL-IRXDYDNUSA-N 2 0 360.458 0.506 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1=O ZINC000638856230 492982241 /nfs/dbraw/zinc/98/22/41/492982241.db2.gz LJIOYNFBEFLOSU-DLBZAZTESA-N 2 0 374.489 0.233 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)C1=O ZINC000638855940 492982942 /nfs/dbraw/zinc/98/29/42/492982942.db2.gz IVLDMWJSAARDEU-ZDUSSCGKSA-N 2 0 351.476 0.069 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000632371678 492985820 /nfs/dbraw/zinc/98/58/20/492985820.db2.gz KVBINFZWEHZGOO-UHFFFAOYSA-N 2 0 360.568 0.809 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652680927 492987923 /nfs/dbraw/zinc/98/79/23/492987923.db2.gz VIOPHWIOPUBSFK-YESZJQIVSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000638976838 492989670 /nfs/dbraw/zinc/98/96/70/492989670.db2.gz DREYMXDYLPNIAJ-HNNXBMFYSA-N 2 0 358.450 0.918 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652683368 492989941 /nfs/dbraw/zinc/98/99/41/492989941.db2.gz LSDLOOITFXWOFP-UHFFFAOYSA-N 2 0 367.538 0.026 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000645952740 492992125 /nfs/dbraw/zinc/99/21/25/492992125.db2.gz MPUFPKDIEYPMMD-DLBZAZTESA-N 2 0 358.486 0.998 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000645958614 492992899 /nfs/dbraw/zinc/99/28/99/492992899.db2.gz PUVPLSXFDWNJKH-DLBZAZTESA-N 2 0 350.507 0.681 20 0 FCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003164 492998904 /nfs/dbraw/zinc/99/89/04/492998904.db2.gz VCVINLINPWAVDG-ROUUACIJSA-N 2 0 360.506 0.660 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639171548 493000656 /nfs/dbraw/zinc/00/06/56/493000656.db2.gz WGMAHKBAQAEEBX-CQSZACIVSA-N 2 0 358.508 0.775 20 0 FCADRP CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632469458 493003558 /nfs/dbraw/zinc/00/35/58/493003558.db2.gz FBZVVDKCYARRAK-UHFFFAOYSA-N 2 0 360.568 0.760 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652726659 493006083 /nfs/dbraw/zinc/00/60/83/493006083.db2.gz GZHNGWAGSWPQOM-ULQDDVLXSA-N 2 0 366.506 0.286 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)COCC[NH3+])CC1 ZINC000646047681 493007321 /nfs/dbraw/zinc/00/73/21/493007321.db2.gz BDEMQVPJBBQOBU-UHFFFAOYSA-N 2 0 350.463 0.251 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2[nH]ccc21 ZINC000632487824 493008059 /nfs/dbraw/zinc/00/80/59/493008059.db2.gz WEPJLLBSFXTWRT-UHFFFAOYSA-N 2 0 359.474 0.736 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730697 493008224 /nfs/dbraw/zinc/00/82/24/493008224.db2.gz MDTWQIJOFXONER-ULQDDVLXSA-N 2 0 368.522 0.530 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730698 493008325 /nfs/dbraw/zinc/00/83/25/493008325.db2.gz MDTWQIJOFXONER-YESZJQIVSA-N 2 0 368.522 0.530 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000632529996 493022536 /nfs/dbraw/zinc/02/25/36/493022536.db2.gz DSRNBFSDGLYHEV-UHFFFAOYSA-N 2 0 350.511 0.591 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCO1 ZINC000658712397 493023251 /nfs/dbraw/zinc/02/32/51/493023251.db2.gz VHPFEHZGEAWSQG-ZACQAIPSSA-N 2 0 366.506 0.108 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000626922231 493064082 /nfs/dbraw/zinc/06/40/82/493064082.db2.gz RJLBUNSVMWYTLN-SFHVURJKSA-N 2 0 361.490 0.092 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000626936316 493067257 /nfs/dbraw/zinc/06/72/57/493067257.db2.gz SRZCQVSZEBOOHH-UHFFFAOYSA-N 2 0 363.506 0.815 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626975500 493072691 /nfs/dbraw/zinc/07/26/91/493072691.db2.gz YACKFCSVHSWPJC-XQQFMLRXSA-N 2 0 351.417 0.401 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626980309 493073444 /nfs/dbraw/zinc/07/34/44/493073444.db2.gz QNTRRZPSQBGULB-SJORKVTESA-N 2 0 353.511 0.032 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000626982235 493074643 /nfs/dbraw/zinc/07/46/43/493074643.db2.gz DDVMICLYPLJNPW-AGIUHOORSA-N 2 0 352.401 0.876 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653124612 493075180 /nfs/dbraw/zinc/07/51/80/493075180.db2.gz BUAIZRWHICNVGJ-FPOVZHCZSA-N 2 0 372.513 0.676 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1=O ZINC000653183286 493082030 /nfs/dbraw/zinc/08/20/30/493082030.db2.gz BYEZCILLXSBPSZ-VVLHAWIVSA-N 2 0 366.506 0.141 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1=O ZINC000653183285 493082085 /nfs/dbraw/zinc/08/20/85/493082085.db2.gz BYEZCILLXSBPSZ-HZMVEIRTSA-N 2 0 366.506 0.141 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000627103331 493088281 /nfs/dbraw/zinc/08/82/81/493088281.db2.gz PNCGLGSKMWRTJP-INIZCTEOSA-N 2 0 354.495 0.651 20 0 FCADRP CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000627187541 493104420 /nfs/dbraw/zinc/10/44/20/493104420.db2.gz GSSTYAISFPUOQU-MRXNPFEDSA-N 2 0 353.511 0.175 20 0 FCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633023954 493104447 /nfs/dbraw/zinc/10/44/47/493104447.db2.gz VBLGYTDUQCPWJP-HOTGVXAUSA-N 2 0 373.457 0.478 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)c2)CC1 ZINC000633039570 493108609 /nfs/dbraw/zinc/10/86/09/493108609.db2.gz LNYBEDBNOLBAQK-HUUCEWRRSA-N 2 0 359.474 0.715 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627227487 493110180 /nfs/dbraw/zinc/11/01/80/493110180.db2.gz JXRBUMLTDROFBW-MRXNPFEDSA-N 2 0 356.434 0.239 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627228725 493111780 /nfs/dbraw/zinc/11/17/80/493111780.db2.gz WQRVGMSFBXMFKQ-KRWDZBQOSA-N 2 0 361.494 0.830 20 0 FCADRP C[C@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@@H+](C2CCC2)C1 ZINC000627233323 493114027 /nfs/dbraw/zinc/11/40/27/493114027.db2.gz DVBIJUBAHKRXNT-RHSMWYFYSA-N 2 0 361.494 0.828 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000627235732 493115499 /nfs/dbraw/zinc/11/54/99/493115499.db2.gz WZDKBLYVLUCQDX-NVXWUHKLSA-N 2 0 361.494 0.734 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633077761 493116561 /nfs/dbraw/zinc/11/65/61/493116561.db2.gz DEHGEYGCNFUYHL-KDURUIRLSA-N 2 0 370.497 0.992 20 0 FCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658978218 493119667 /nfs/dbraw/zinc/11/96/67/493119667.db2.gz IULBXCRRCFHXEH-SFHVURJKSA-N 2 0 371.485 0.817 20 0 FCADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000633098651 493124214 /nfs/dbraw/zinc/12/42/14/493124214.db2.gz ZJHFEPJVDZDDPK-IYBDPMFKSA-N 2 0 364.490 0.053 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000659020585 493125831 /nfs/dbraw/zinc/12/58/31/493125831.db2.gz OAVYOIPUTLHGCF-CQSZACIVSA-N 2 0 362.478 0.381 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000633116556 493132829 /nfs/dbraw/zinc/13/28/29/493132829.db2.gz VHCDLZQVWHZVGM-IKGGRYGDSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633149381 493136439 /nfs/dbraw/zinc/13/64/39/493136439.db2.gz XFWDPQMGMAWWQK-KBAYOESNSA-N 2 0 358.486 0.915 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000627291967 493136904 /nfs/dbraw/zinc/13/69/04/493136904.db2.gz JEQDUDUDAKONOD-AWEZNQCLSA-N 2 0 368.503 0.435 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000627310149 493144686 /nfs/dbraw/zinc/14/46/86/493144686.db2.gz JQPLTLRUNLSHIO-KRWDZBQOSA-N 2 0 362.474 0.249 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312474 493146791 /nfs/dbraw/zinc/14/67/91/493146791.db2.gz ZKLBQGNKPBUMDL-YVSFHVDLSA-N 2 0 352.523 0.925 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000627326532 493154440 /nfs/dbraw/zinc/15/44/40/493154440.db2.gz SJUMRNXJALOAMA-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000633481566 493159101 /nfs/dbraw/zinc/15/91/01/493159101.db2.gz VCRVBPYYCNGKEX-QUCCMNQESA-N 2 0 361.486 0.586 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000659114033 493160223 /nfs/dbraw/zinc/16/02/23/493160223.db2.gz RFVRAOZPCLXLPU-HNNXBMFYSA-N 2 0 361.490 0.880 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627338743 493161436 /nfs/dbraw/zinc/16/14/36/493161436.db2.gz PBXWVLVDMNLHQC-SFHVURJKSA-N 2 0 374.485 0.180 20 0 FCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659245856 493178478 /nfs/dbraw/zinc/17/84/78/493178478.db2.gz DDFSWSXYHLDGCO-UHFFFAOYSA-N 2 0 373.461 0.640 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)C1 ZINC000659246282 493179163 /nfs/dbraw/zinc/17/91/63/493179163.db2.gz ISCMLJPMQJOWNK-QGZVFWFLSA-N 2 0 364.534 0.901 20 0 FCADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@H+](C)C3CC3)nn2)c1 ZINC000641222881 493182754 /nfs/dbraw/zinc/18/27/54/493182754.db2.gz OHJQPFBPVRKSHK-INIZCTEOSA-N 2 0 358.446 0.558 20 0 FCADRP COc1ccccc1CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659318637 493190011 /nfs/dbraw/zinc/19/00/11/493190011.db2.gz OFNMSLMISBFZJM-UHFFFAOYSA-N 2 0 364.490 0.605 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659506194 493202396 /nfs/dbraw/zinc/20/23/96/493202396.db2.gz MDQSZMIMDAHUIJ-ROUUACIJSA-N 2 0 363.481 0.866 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659547703 493210305 /nfs/dbraw/zinc/21/03/05/493210305.db2.gz AGEMBJXHQVBTBW-IKGGRYGDSA-N 2 0 350.438 0.949 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659549858 493211618 /nfs/dbraw/zinc/21/16/18/493211618.db2.gz NUUUTHVUHPBZTN-SFHVURJKSA-N 2 0 361.490 0.971 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000659675583 493245320 /nfs/dbraw/zinc/24/53/20/493245320.db2.gz WADMAOHZYZXUKS-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659680549 493248085 /nfs/dbraw/zinc/24/80/85/493248085.db2.gz YWFIAWQMBCFLNG-GJZGRUSLSA-N 2 0 354.495 0.066 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000659682261 493248900 /nfs/dbraw/zinc/24/89/00/493248900.db2.gz IHIBTCSRICRLNC-HUUCEWRRSA-N 2 0 356.511 0.435 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000659688340 493254593 /nfs/dbraw/zinc/25/45/93/493254593.db2.gz XVPUCVNHIUKIRB-YDZRNGNQSA-N 2 0 370.497 0.881 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000659689976 493255535 /nfs/dbraw/zinc/25/55/35/493255535.db2.gz LKPKUANGFWJVJG-UHFFFAOYSA-N 2 0 359.474 0.550 20 0 FCADRP CC1(C)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1CCO ZINC000672837623 493256222 /nfs/dbraw/zinc/25/62/22/493256222.db2.gz IEJCLUITAWOGJL-UHFFFAOYSA-N 2 0 368.522 0.730 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000659695735 493258590 /nfs/dbraw/zinc/25/85/90/493258590.db2.gz DZICBEOPBUHMAX-QAPCUYQASA-N 2 0 372.513 0.788 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672917237 493265880 /nfs/dbraw/zinc/26/58/80/493265880.db2.gz QUCAJKDKFAOJPE-UHFFFAOYSA-N 2 0 370.538 0.974 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000659711089 493266882 /nfs/dbraw/zinc/26/68/82/493266882.db2.gz VWUBNNLKYSJVNI-RHSMWYFYSA-N 2 0 362.474 0.672 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711610 493268027 /nfs/dbraw/zinc/26/80/27/493268027.db2.gz BJYZTBWIIGECMB-SFHVURJKSA-N 2 0 358.486 0.630 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000659715967 493269442 /nfs/dbraw/zinc/26/94/42/493269442.db2.gz UNDXUWKFKPOXPO-KRWDZBQOSA-N 2 0 359.474 0.263 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718563 493269939 /nfs/dbraw/zinc/26/99/39/493269939.db2.gz RGGHYFIEBBDOAV-BBRMVZONSA-N 2 0 366.506 0.454 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718265 493270287 /nfs/dbraw/zinc/27/02/87/493270287.db2.gz NLBROTMNGLROQZ-IAGOWNOFSA-N 2 0 366.506 0.380 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720156 493270803 /nfs/dbraw/zinc/27/08/03/493270803.db2.gz ATBIKCQPYIJKGR-CRAIPNDOSA-N 2 0 373.501 0.667 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000659725924 493273807 /nfs/dbraw/zinc/27/38/07/493273807.db2.gz AULBRWOQBSAQSJ-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659726877 493274438 /nfs/dbraw/zinc/27/44/38/493274438.db2.gz CEMDQEWUJZJCJL-GOSISDBHSA-N 2 0 373.501 0.478 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732459 493277543 /nfs/dbraw/zinc/27/75/43/493277543.db2.gz OAXKTHKMAXAFGO-UHFFFAOYSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000659735879 493278588 /nfs/dbraw/zinc/27/85/88/493278588.db2.gz KIWPKNLHLOMDJF-PMPSAXMXSA-N 2 0 350.507 0.953 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739458 493280478 /nfs/dbraw/zinc/28/04/78/493280478.db2.gz USXHPLIXALAZLC-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CCCN(C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659756532 493287189 /nfs/dbraw/zinc/28/71/89/493287189.db2.gz RNWMPTQYPZXQAM-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)NCC[NH+]1CCCCCC1 ZINC000667802561 493303023 /nfs/dbraw/zinc/30/30/23/493303023.db2.gz UQWTZLLPZYHMPP-UHFFFAOYSA-N 2 0 374.489 0.841 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351075 493320504 /nfs/dbraw/zinc/32/05/04/493320504.db2.gz JGODILIHVIPVHE-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673428025 493327708 /nfs/dbraw/zinc/32/77/08/493327708.db2.gz SMRWLVDZNGHARL-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1C1CC1 ZINC000683870195 493375633 /nfs/dbraw/zinc/37/56/33/493375633.db2.gz DUODDMBHRSQBBA-KBPBESRZSA-N 2 0 374.489 0.830 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668557004 493375702 /nfs/dbraw/zinc/37/57/02/493375702.db2.gz DMAMJIKLXLXSPL-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660840572 493383994 /nfs/dbraw/zinc/38/39/94/493383994.db2.gz ZKESLAISGIPCDB-KRWDZBQOSA-N 2 0 354.495 0.650 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853371 493386806 /nfs/dbraw/zinc/38/68/06/493386806.db2.gz WPQRIXNIWSTPPT-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000668657368 493392379 /nfs/dbraw/zinc/39/23/79/493392379.db2.gz ONCKGDWOGUDXJE-IBGZPJMESA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668682268 493395915 /nfs/dbraw/zinc/39/59/15/493395915.db2.gz CNVWHIRVXCPWOX-KRWDZBQOSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000661024890 493403384 /nfs/dbraw/zinc/40/33/84/493403384.db2.gz IEWQIQIKCUIBAW-QGZVFWFLSA-N 2 0 367.538 0.023 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036561 493403913 /nfs/dbraw/zinc/40/39/13/493403913.db2.gz JZXWIHTYISDKMN-SJLPKXTDSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000668752696 493405244 /nfs/dbraw/zinc/40/52/44/493405244.db2.gz RYNCLOIYIMAHOB-RDJZCZTQSA-N 2 0 368.522 0.402 20 0 FCADRP COC1CC[NH+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000674329789 493408560 /nfs/dbraw/zinc/40/85/60/493408560.db2.gz OCJFXEQWVCMPEL-UHFFFAOYSA-N 2 0 355.527 0.424 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668777301 493408969 /nfs/dbraw/zinc/40/89/69/493408969.db2.gz USJRVBBIALVYSU-ZBFHGGJFSA-N 2 0 354.495 0.202 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841169 493419549 /nfs/dbraw/zinc/41/95/49/493419549.db2.gz HGBKWEVYOBYBDC-HZPDHXFCSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000685310748 493474484 /nfs/dbraw/zinc/47/44/84/493474484.db2.gz IETOVUPLGULMDG-VYDXJSESSA-N 2 0 350.507 0.918 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685519461 493500826 /nfs/dbraw/zinc/50/08/26/493500826.db2.gz PUFPXXNUIUDKGG-UHFFFAOYSA-N 2 0 371.485 0.721 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290658 493503879 /nfs/dbraw/zinc/50/38/79/493503879.db2.gz HHTWHHZXLIKXJC-HYVNUMGLSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486532 493506273 /nfs/dbraw/zinc/50/62/73/493506273.db2.gz UPPGBQXJAQURET-YESZJQIVSA-N 2 0 353.511 0.304 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000669486488 493506513 /nfs/dbraw/zinc/50/65/13/493506513.db2.gz POQKIKHDUWZRCX-ZACQAIPSSA-N 2 0 353.511 0.019 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000669486486 493506541 /nfs/dbraw/zinc/50/65/41/493506541.db2.gz POQKIKHDUWZRCX-IKGGRYGDSA-N 2 0 353.511 0.019 20 0 FCADRP CN1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)([NH+]2CCCCC2)CC1 ZINC000669502253 493508202 /nfs/dbraw/zinc/50/82/02/493508202.db2.gz WGPOKXLVIGSAAU-KRWDZBQOSA-N 2 0 367.538 0.614 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669530221 493509013 /nfs/dbraw/zinc/50/90/13/493509013.db2.gz XAHYXULQOQGIGD-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)nnn1[C@H]1CC[NH2+]C1 ZINC000662388798 493511535 /nfs/dbraw/zinc/51/15/35/493511535.db2.gz UKMMHSYOGSNKFW-HNNXBMFYSA-N 2 0 370.461 0.520 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662446074 493516080 /nfs/dbraw/zinc/51/60/80/493516080.db2.gz VRSLNBXVSVBTKV-UHFFFAOYSA-N 2 0 362.499 0.774 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668656 493530694 /nfs/dbraw/zinc/53/06/94/493530694.db2.gz OOZVKUFXIATVOC-JKSUJKDBSA-N 2 0 364.494 0.679 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662727375 493535416 /nfs/dbraw/zinc/53/54/16/493535416.db2.gz WMFABAPOYCHFNO-OAHLLOKOSA-N 2 0 364.412 0.587 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1(O)C[NH2+]C1 ZINC000662757964 493539111 /nfs/dbraw/zinc/53/91/11/493539111.db2.gz KLCIFGMFIDLZIM-UHFFFAOYSA-N 2 0 352.866 0.303 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662758780 493540040 /nfs/dbraw/zinc/54/00/40/493540040.db2.gz TUJDNNADCIZWAU-OALUTQOASA-N 2 0 360.502 0.674 20 0 FCADRP C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676303491 493543332 /nfs/dbraw/zinc/54/33/32/493543332.db2.gz CUIOIYFWQOSQTJ-AEFFLSMTSA-N 2 0 368.522 0.849 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836939 493545875 /nfs/dbraw/zinc/54/58/75/493545875.db2.gz IPYVIZVOSMFXAH-ZIAGYGMSSA-N 2 0 362.478 0.459 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000662845023 493546309 /nfs/dbraw/zinc/54/63/09/493546309.db2.gz CDIGRDFWBMNFMS-OAHLLOKOSA-N 2 0 357.520 0.391 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662858358 493547495 /nfs/dbraw/zinc/54/74/95/493547495.db2.gz HBQXBZLEONNKPP-SFHVURJKSA-N 2 0 361.490 0.509 20 0 FCADRP CC[N@@H+]1CCC[C@H](CN(C)C(=O)[C@H]2C[NH2+]CCOC2)[C@H]1c1cnn(C)c1 ZINC000662863518 493547833 /nfs/dbraw/zinc/54/78/33/493547833.db2.gz HMIRUJTUUNPRRF-NJAFHUGGSA-N 2 0 363.506 0.888 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662930890 493555875 /nfs/dbraw/zinc/55/58/75/493555875.db2.gz YOQFJUCQYYCQNB-QGZVFWFLSA-N 2 0 368.522 0.261 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)[C@H]2C1 ZINC000662944607 493558523 /nfs/dbraw/zinc/55/85/23/493558523.db2.gz NXTJHVIDKKERLI-SQNIBIBYSA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)[C@@H]2C1 ZINC000662944604 493558659 /nfs/dbraw/zinc/55/86/59/493558659.db2.gz NXTJHVIDKKERLI-FGTMMUONSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946173 493558862 /nfs/dbraw/zinc/55/88/62/493558862.db2.gz BBTBGSIEJXNOCM-WMZOPIPTSA-N 2 0 358.486 0.582 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000662950533 493560030 /nfs/dbraw/zinc/56/00/30/493560030.db2.gz MSFAXHMJMAPZPT-AOIWGVFYSA-N 2 0 372.513 0.971 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662962500 493561276 /nfs/dbraw/zinc/56/12/76/493561276.db2.gz JVEWPECAJBHEAC-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@H](C[NH3+])C1 ZINC000662982145 493564011 /nfs/dbraw/zinc/56/40/11/493564011.db2.gz BFFWDPUZWXXATH-PVAVHDDUSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670471597 493570859 /nfs/dbraw/zinc/57/08/59/493570859.db2.gz UOEKMOAKQZIHNU-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670709409 493589431 /nfs/dbraw/zinc/58/94/31/493589431.db2.gz CEFZZSUXYABHIJ-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000663479379 493591568 /nfs/dbraw/zinc/59/15/68/493591568.db2.gz HKSGTSAMLCRICK-INIZCTEOSA-N 2 0 371.526 0.005 20 0 FCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000670782785 493596316 /nfs/dbraw/zinc/59/63/16/493596316.db2.gz NQRZKDCZMKFANK-QGZVFWFLSA-N 2 0 364.490 0.053 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000663614703 493604365 /nfs/dbraw/zinc/60/43/65/493604365.db2.gz CYWCYNBEJSLALG-FQEVSTJZSA-N 2 0 373.501 0.944 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCN3CCCS3(=O)=O)CC2)CC1 ZINC000677738171 493614489 /nfs/dbraw/zinc/61/44/89/493614489.db2.gz JQAWGBISCFTVDT-UHFFFAOYSA-N 2 0 358.552 0.512 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000670984522 493620131 /nfs/dbraw/zinc/62/01/31/493620131.db2.gz ORDHORHHAMFKPL-INIZCTEOSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670997462 493621850 /nfs/dbraw/zinc/62/18/50/493621850.db2.gz NBDTWAVOKAJBGT-INIZCTEOSA-N 2 0 359.474 0.721 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000670997792 493622164 /nfs/dbraw/zinc/62/21/64/493622164.db2.gz LEXOAJBBZOATBI-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000671033353 493625340 /nfs/dbraw/zinc/62/53/40/493625340.db2.gz YRCASEMOLKQYGF-KRWDZBQOSA-N 2 0 367.538 0.119 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000671070930 493629333 /nfs/dbraw/zinc/62/93/33/493629333.db2.gz SHFPSLNYIIFCKZ-WMLDXEAASA-N 2 0 354.520 0.140 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000671102349 493633798 /nfs/dbraw/zinc/63/37/98/493633798.db2.gz YIFMIPFIHPBZDA-BRWVUGGUSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671104818 493634829 /nfs/dbraw/zinc/63/48/29/493634829.db2.gz RUYKYQBLKRWVDC-IXDOHACOSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671105116 493634946 /nfs/dbraw/zinc/63/49/46/493634946.db2.gz HVGXZIQBWCDPPK-PMPSAXMXSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000664311787 493651971 /nfs/dbraw/zinc/65/19/71/493651971.db2.gz SUAIHVXFPNLOPW-MRXNPFEDSA-N 2 0 359.540 0.085 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000671404256 493666094 /nfs/dbraw/zinc/66/60/94/493666094.db2.gz CYKIYWBQDVTJDK-HLLBOEOZSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664538338 493666473 /nfs/dbraw/zinc/66/64/73/493666473.db2.gz CWENZLLJQYUIIZ-SFHVURJKSA-N 2 0 367.538 0.253 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000679722686 493693029 /nfs/dbraw/zinc/69/30/29/493693029.db2.gz MKBVBRNCZLADAZ-UHFFFAOYSA-N 2 0 350.463 0.863 20 0 FCADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293227 493708104 /nfs/dbraw/zinc/70/81/04/493708104.db2.gz VYRODWJEYSJPSM-LLVKDONJSA-N 2 0 355.398 0.805 20 0 FCADRP C[C@@H](C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000672246154 493745828 /nfs/dbraw/zinc/74/58/28/493745828.db2.gz QOIKBHFGZCQJAC-IRXDYDNUSA-N 3 0 369.554 0.317 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000672305814 493751761 /nfs/dbraw/zinc/75/17/61/493751761.db2.gz FCQFXXIHSLVKLC-QZTJIDSGSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310968 493755200 /nfs/dbraw/zinc/75/52/00/493755200.db2.gz QBLIUIOTAZCHEO-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125462 493759270 /nfs/dbraw/zinc/75/92/70/493759270.db2.gz GWAFBUYONGVNJY-OXQOHEQNSA-N 2 0 372.469 0.195 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419956740 536449265 /nfs/dbraw/zinc/44/92/65/536449265.db2.gz SVGKLEZIWZSOLB-CYBMUJFWSA-N 2 0 370.444 0.827 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845226 527824303 /nfs/dbraw/zinc/82/43/03/527824303.db2.gz QMQVWNMIESDFTK-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000410477376 528147736 /nfs/dbraw/zinc/14/77/36/528147736.db2.gz TUZWCDXKQBNHIL-IRXDYDNUSA-N 2 0 368.522 0.498 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410811629 528433931 /nfs/dbraw/zinc/43/39/31/528433931.db2.gz RWKGSINBYPZXEX-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410889502 528890233 /nfs/dbraw/zinc/89/02/33/528890233.db2.gz ZAFDJWRGZMVMQO-UHFFFAOYSA-N 2 0 369.554 0.269 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000410886468 528890802 /nfs/dbraw/zinc/89/08/02/528890802.db2.gz OBKPKFAPYWOYDE-INIZCTEOSA-N 2 0 368.522 0.497 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410884075 528890824 /nfs/dbraw/zinc/89/08/24/528890824.db2.gz JFIVNCRYAJCXCP-QGZVFWFLSA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413629163 528892417 /nfs/dbraw/zinc/89/24/17/528892417.db2.gz RZZAJLUPOPUSHR-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1C ZINC000190249421 529099454 /nfs/dbraw/zinc/09/94/54/529099454.db2.gz MAAOVOHLEVOQAB-HNNXBMFYSA-N 2 0 364.494 0.542 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000174321749 529118010 /nfs/dbraw/zinc/11/80/10/529118010.db2.gz WFTWFGIMJIPWFT-SFHVURJKSA-N 2 0 354.539 0.876 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876942 535073814 /nfs/dbraw/zinc/07/38/14/535073814.db2.gz WFBGTZUOJVNHSV-KRWDZBQOSA-N 2 0 367.538 0.025 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000419909958 535159018 /nfs/dbraw/zinc/15/90/18/535159018.db2.gz NEFUAGDRZSHXEF-UHFFFAOYSA-N 2 0 361.490 0.872 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419882757 535522981 /nfs/dbraw/zinc/52/29/81/535522981.db2.gz MKRKEKKGVZSPPK-GFCCVEGCSA-N 2 0 352.401 0.587 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420147826 535544110 /nfs/dbraw/zinc/54/41/10/535544110.db2.gz SWMVLVPBWIPCKC-RDJZCZTQSA-N 2 0 368.522 0.450 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419852919 535544538 /nfs/dbraw/zinc/54/45/38/535544538.db2.gz ACLNGYQMYSHYNW-MRXNPFEDSA-N 2 0 354.495 0.189 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039828 535594177 /nfs/dbraw/zinc/59/41/77/535594177.db2.gz YYEUQDKDNINUGF-CABCVRRESA-N 2 0 351.499 0.934 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccco1 ZINC000418947618 535668668 /nfs/dbraw/zinc/66/86/68/535668668.db2.gz SPSJWGYHDPPKAV-QLFBSQMISA-N 2 0 350.463 0.974 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000419369531 535668728 /nfs/dbraw/zinc/66/87/28/535668728.db2.gz HUUKZFOTIADYBR-LSDHHAIUSA-N 2 0 368.503 0.352 20 0 FCADRP CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630084 535703799 /nfs/dbraw/zinc/70/37/99/535703799.db2.gz ZHTLNJGKTFLORD-QGZVFWFLSA-N 2 0 360.506 0.979 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419829361 535710885 /nfs/dbraw/zinc/71/08/85/535710885.db2.gz PRSODWHDZVFDMY-NVXWUHKLSA-N 2 0 367.538 0.010 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423428095 535715684 /nfs/dbraw/zinc/71/56/84/535715684.db2.gz JWRKQJOORGZUHZ-DOTOQJQBSA-N 2 0 364.465 0.879 20 0 FCADRP CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435630809 535727495 /nfs/dbraw/zinc/72/74/95/535727495.db2.gz YQHJPNGYTCISGK-CQSZACIVSA-N 2 0 362.478 0.288 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000417483960 535838777 /nfs/dbraw/zinc/83/87/77/535838777.db2.gz TXWHPNJPWGKPNZ-QGZVFWFLSA-N 2 0 350.463 0.886 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420205962 535856492 /nfs/dbraw/zinc/85/64/92/535856492.db2.gz JMJDMXPJHPPHFT-VQHPVUNQSA-N 2 0 366.506 0.060 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419873783 535862712 /nfs/dbraw/zinc/86/27/12/535862712.db2.gz YZTWTIDDNZGNQO-MRXNPFEDSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419773073 535894136 /nfs/dbraw/zinc/89/41/36/535894136.db2.gz IPLJRQJGWYHMCE-HZPDHXFCSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419711971 535927226 /nfs/dbraw/zinc/92/72/26/535927226.db2.gz OJWXNXMNKMWTGL-ROUUACIJSA-N 2 0 358.486 0.475 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000419848687 535943415 /nfs/dbraw/zinc/94/34/15/535943415.db2.gz WMNOOIKAHWHIPP-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000419106457 536124192 /nfs/dbraw/zinc/12/41/92/536124192.db2.gz JTYOMVWHBHYCIW-KGLIPLIRSA-N 2 0 372.391 0.902 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419136514 536367956 /nfs/dbraw/zinc/36/79/56/536367956.db2.gz PGTSGUOIWPXCBN-OAHLLOKOSA-N 2 0 364.515 0.897 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163114 536368082 /nfs/dbraw/zinc/36/80/82/536368082.db2.gz JCXHCLHCRXJLFC-MSOLQXFVSA-N 2 0 374.485 0.214 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000419756471 536368467 /nfs/dbraw/zinc/36/84/67/536368467.db2.gz SEUDDHSNMWQZOU-OAHLLOKOSA-N 2 0 366.506 0.347 20 0 FCADRP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347218 536401908 /nfs/dbraw/zinc/40/19/08/536401908.db2.gz FUQAFRVTYAHRTA-INIZCTEOSA-N 2 0 364.465 0.642 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419194815 536416609 /nfs/dbraw/zinc/41/66/09/536416609.db2.gz UETYGWUTSRWTPC-SFHVURJKSA-N 2 0 358.486 0.630 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000423455942 536416678 /nfs/dbraw/zinc/41/66/78/536416678.db2.gz GFRMCATXYZHVKP-AEFFLSMTSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415301798 536417523 /nfs/dbraw/zinc/41/75/23/536417523.db2.gz QOQPGKCWLKBHGT-KRWDZBQOSA-N 2 0 359.474 0.193 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000419399497 536449858 /nfs/dbraw/zinc/44/98/58/536449858.db2.gz ZBLXRJRNCDATCD-OAHLLOKOSA-N 2 0 360.502 0.911 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433380717 536546823 /nfs/dbraw/zinc/54/68/23/536546823.db2.gz DXDTVTRSXXOXQO-HNNXBMFYSA-N 2 0 350.467 0.433 20 0 FCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000415701958 536680928 /nfs/dbraw/zinc/68/09/28/536680928.db2.gz CODWEWVUGZRPFH-LJQANCHMSA-N 2 0 362.474 0.614 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@H](C[NH3+])C1 ZINC000423671755 536734592 /nfs/dbraw/zinc/73/45/92/536734592.db2.gz NMRFHUIMGPJFGA-HOTGVXAUSA-N 2 0 356.511 0.528 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419673295 536780417 /nfs/dbraw/zinc/78/04/17/536780417.db2.gz HCWMZGWOPPXOAU-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP Cc1nn(C)c(C)c1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000070828169 546522455 /nfs/dbraw/zinc/52/24/55/546522455.db2.gz VOBSBINDDWIQFI-UHFFFAOYSA-N 2 0 359.540 0.931 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418506544 546906997 /nfs/dbraw/zinc/90/69/97/546906997.db2.gz IOZILORYKPZZLY-IRXDYDNUSA-N 2 0 350.463 0.676 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000550097059 547077584 /nfs/dbraw/zinc/07/75/84/547077584.db2.gz RZJTYIHJAQVXQY-JKSUJKDBSA-N 2 0 354.495 0.012 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550492861 547088006 /nfs/dbraw/zinc/08/80/06/547088006.db2.gz MUIVFHGJFJMLQQ-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550838231 547109646 /nfs/dbraw/zinc/10/96/46/547109646.db2.gz AFNYGRMKZQSDRC-WMLDXEAASA-N 2 0 356.536 0.483 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835716 547110108 /nfs/dbraw/zinc/11/01/08/547110108.db2.gz MCTBGMKJPCQISV-MAUKXSAKSA-N 2 0 370.563 0.777 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550900121 547113781 /nfs/dbraw/zinc/11/37/81/547113781.db2.gz KCYNDDKEGCCSRU-AWEZNQCLSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550906879 547114986 /nfs/dbraw/zinc/11/49/86/547114986.db2.gz BCHZNLMTQWDDDR-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000551039521 547121100 /nfs/dbraw/zinc/12/11/00/547121100.db2.gz KLDRPGZZOOYLOX-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551213176 547133873 /nfs/dbraw/zinc/13/38/73/547133873.db2.gz IYERLSGOPCJCOM-RVKKMQEKSA-N 2 0 370.563 0.777 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278639 547139308 /nfs/dbraw/zinc/13/93/08/547139308.db2.gz SUNCQULNCJQMLE-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624553 547156512 /nfs/dbraw/zinc/15/65/12/547156512.db2.gz WDOXGMIWKKJGRU-CJNGLKHVSA-N 2 0 350.507 0.964 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176149 547192913 /nfs/dbraw/zinc/19/29/13/547192913.db2.gz YNFYCNRBDKREOA-JKSUJKDBSA-N 2 0 350.507 0.824 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000552623013 547219736 /nfs/dbraw/zinc/21/97/36/547219736.db2.gz WRUIBJBZIMESHF-INIZCTEOSA-N 2 0 354.495 0.158 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000552769429 547232070 /nfs/dbraw/zinc/23/20/70/547232070.db2.gz DZUFHBFHVPPPLR-MNAZLIDISA-N 2 0 350.507 0.776 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000552856637 547235803 /nfs/dbraw/zinc/23/58/03/547235803.db2.gz NHCUWCKDBGFVEE-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)nc1C ZINC000553480078 547282102 /nfs/dbraw/zinc/28/21/02/547282102.db2.gz ZKXHFYCAPVVYAF-HNNXBMFYSA-N 2 0 357.524 0.765 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nc(C)cs1 ZINC000553669592 547299739 /nfs/dbraw/zinc/29/97/39/547299739.db2.gz HICLQHRAMYDDCQ-CQSZACIVSA-N 2 0 369.535 0.971 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686783 547300712 /nfs/dbraw/zinc/30/07/12/547300712.db2.gz JZEOZXPBSZROJF-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NC1CCCCC1 ZINC000174725474 547319152 /nfs/dbraw/zinc/31/91/52/547319152.db2.gz BBPIRHZPPHALMF-UHFFFAOYSA-N 2 0 353.511 0.714 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206090 674397239 /nfs/dbraw/zinc/39/72/39/674397239.db2.gz LPVATDHAUUSJNS-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736568994 599028243 /nfs/dbraw/zinc/02/82/43/599028243.db2.gz FPWUFHSZLJSUTB-HNNXBMFYSA-N 2 0 372.477 0.750 20 0 FCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC000738448973 598526980 /nfs/dbraw/zinc/52/69/80/598526980.db2.gz CDCBLXMBRSLAAW-GFCCVEGCSA-N 2 0 357.466 0.711 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821267770 606266383 /nfs/dbraw/zinc/26/63/83/606266383.db2.gz QSZRNSACVWHSRI-CQSZACIVSA-N 2 0 360.466 0.683 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480524 606860641 /nfs/dbraw/zinc/86/06/41/606860641.db2.gz LMLSGKKUSQXCML-KSSFIOAISA-N 2 0 374.489 0.925 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000825865960 608641982 /nfs/dbraw/zinc/64/19/82/608641982.db2.gz NMNAGWVNPQLIGJ-UHFFFAOYSA-N 2 0 363.491 0.818 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897721133 665766017 /nfs/dbraw/zinc/76/60/17/665766017.db2.gz AMQJFDHTQNCDAI-ROUUACIJSA-N 2 0 351.491 0.809 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899183698 665931774 /nfs/dbraw/zinc/93/17/74/665931774.db2.gz LDGXXMUGSBBQLW-UHFFFAOYSA-N 2 0 351.491 0.668 20 0 FCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000069440041 663185058 /nfs/dbraw/zinc/18/50/58/663185058.db2.gz GEXHNDCNYNQADS-OAHLLOKOSA-N 2 0 374.551 0.527 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000891493184 663409911 /nfs/dbraw/zinc/40/99/11/663409911.db2.gz NIJCVPWSOJCNSB-QGZVFWFLSA-N 2 0 350.463 0.929 20 0 FCADRP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+](C)C1CC1 ZINC000891513438 663410791 /nfs/dbraw/zinc/41/07/91/663410791.db2.gz CDFUWXLURDNTSD-MHEUCROKSA-N 2 0 351.451 0.046 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000891563502 663415692 /nfs/dbraw/zinc/41/56/92/663415692.db2.gz IBWYZVPXBNJPMK-MRXNPFEDSA-N 2 0 353.511 0.306 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000891598601 663417551 /nfs/dbraw/zinc/41/75/51/663417551.db2.gz VSGNFIWOWNZVTR-KRWDZBQOSA-N 2 0 355.527 0.232 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022353466 663439486 /nfs/dbraw/zinc/43/94/86/663439486.db2.gz SZCIBUZWQAKDCR-YLFCFFPRSA-N 2 0 350.507 0.726 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933845886 663444504 /nfs/dbraw/zinc/44/45/04/663444504.db2.gz HPTYZIQTEBNDNM-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000933848411 663444714 /nfs/dbraw/zinc/44/47/14/663444714.db2.gz TUUDTELVRWXDCU-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891906982 663448266 /nfs/dbraw/zinc/44/82/66/663448266.db2.gz WJWJLYVVBOKFPM-YJNKXOJESA-N 2 0 353.467 0.292 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892038272 663469437 /nfs/dbraw/zinc/46/94/37/663469437.db2.gz CCSXDHAHTSBZGR-INIZCTEOSA-N 2 0 355.527 0.600 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892036924 663469521 /nfs/dbraw/zinc/46/95/21/663469521.db2.gz QSWJUPUFZIIEOD-IAGOWNOFSA-N 2 0 355.527 0.456 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892161023 663483676 /nfs/dbraw/zinc/48/36/76/663483676.db2.gz YOPRPNDQSJRABM-BARDWOONSA-N 2 0 351.451 0.095 20 0 FCADRP [NH3+]CC1(CCNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000892218728 663495077 /nfs/dbraw/zinc/49/50/77/663495077.db2.gz KLZXAJUNVWQWEJ-MRXNPFEDSA-N 2 0 353.511 0.211 20 0 FCADRP C[C@H]1CC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000892292290 663523017 /nfs/dbraw/zinc/52/30/17/663523017.db2.gz AEFJGMKDSUVJMN-GJZGRUSLSA-N 2 0 351.495 0.642 20 0 FCADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295731 663523844 /nfs/dbraw/zinc/52/38/44/663523844.db2.gz SEVODTOZUPMFJM-IXDOHACOSA-N 2 0 353.511 0.223 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023377990 663620349 /nfs/dbraw/zinc/62/03/49/663620349.db2.gz ZMTVQHFELLAWRI-OWCLPIDISA-N 2 0 351.495 0.180 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001038274045 663623506 /nfs/dbraw/zinc/62/35/06/663623506.db2.gz UXQOAZXGEITPEU-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC000972739020 663856616 /nfs/dbraw/zinc/85/66/16/663856616.db2.gz KVGAUBWAFACSEC-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000892434909 663896727 /nfs/dbraw/zinc/89/67/27/663896727.db2.gz UVRGLOYZZSGVNB-WKILWMFISA-N 2 0 353.511 0.795 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000892533020 664021177 /nfs/dbraw/zinc/02/11/77/664021177.db2.gz WDJAYZNGMYFDLD-ZBFHGGJFSA-N 2 0 352.504 0.746 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000892651523 664059215 /nfs/dbraw/zinc/05/92/15/664059215.db2.gz ZLLQHGCBUOYTJY-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000973334365 664100007 /nfs/dbraw/zinc/10/00/07/664100007.db2.gz DKMRACYRPBMRAC-LUKYLMHMSA-N 2 0 350.507 0.822 20 0 FCADRP CC1(C)COCCN1CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892758259 664137466 /nfs/dbraw/zinc/13/74/66/664137466.db2.gz OMVKKYJXDLFXKZ-CVEARBPZSA-N 2 0 354.495 0.338 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C2 ZINC000892880037 664153017 /nfs/dbraw/zinc/15/30/17/664153017.db2.gz XYRIGOFDQYOAHG-LBPRGKRZSA-N 2 0 353.492 0.516 20 0 FCADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000893100226 664204951 /nfs/dbraw/zinc/20/49/51/664204951.db2.gz CFHQNLXPIZGMKI-HNNXBMFYSA-N 2 0 355.527 0.803 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000975782099 664349812 /nfs/dbraw/zinc/34/98/12/664349812.db2.gz IVNZKEBAIRKLKK-HZMVEIRTSA-N 2 0 350.507 0.870 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423259940 664429797 /nfs/dbraw/zinc/42/97/97/664429797.db2.gz GFEPWQSSXVDKHL-GOSISDBHSA-N 2 0 354.495 0.158 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000978881818 664448428 /nfs/dbraw/zinc/44/84/28/664448428.db2.gz UFYFEAINXIZOGQ-ZOFXXKQRSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccns2)O1 ZINC001027966296 664479102 /nfs/dbraw/zinc/47/91/02/664479102.db2.gz NHZWBINYKJYKRS-IJEWVQPXSA-N 2 0 352.504 0.985 20 0 FCADRP CC(C)N1CC[C@@H](N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196401 664816594 /nfs/dbraw/zinc/81/65/94/664816594.db2.gz CKSDZTWEGFHFNM-BRWVUGGUSA-N 2 0 350.507 0.870 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282620 664864346 /nfs/dbraw/zinc/86/43/46/664864346.db2.gz DANOPPMFZWENDN-MXQZZYIMSA-N 2 0 350.507 0.632 20 0 FCADRP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1(F)F ZINC000894210429 664925007 /nfs/dbraw/zinc/92/50/07/664925007.db2.gz GEHLEUWFQKDDGI-KBPBESRZSA-N 2 0 354.401 0.977 20 0 FCADRP CC(C)CC[NH+]1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924950464 664942377 /nfs/dbraw/zinc/94/23/77/664942377.db2.gz OLFKKDIJYZXSCC-UHFFFAOYSA-N 2 0 360.568 0.664 20 0 FCADRP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000925000560 664956228 /nfs/dbraw/zinc/95/62/28/664956228.db2.gz NZPXUAFZRLQZJE-CVEARBPZSA-N 2 0 350.463 0.646 20 0 FCADRP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)oc1C ZINC000984016242 665013888 /nfs/dbraw/zinc/01/38/88/665013888.db2.gz UOHIVLOZJUHVMJ-RAEVTNRLSA-N 2 0 350.463 0.995 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896382058 665082831 /nfs/dbraw/zinc/08/28/31/665082831.db2.gz WHPGETCFGAXCRP-GOSISDBHSA-N 2 0 351.491 0.857 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000984899683 665114449 /nfs/dbraw/zinc/11/44/49/665114449.db2.gz JEHQNTOMPUKDOF-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001029965872 665219631 /nfs/dbraw/zinc/21/96/31/665219631.db2.gz DCUCYARJJPRVGQ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001029966336 665219736 /nfs/dbraw/zinc/21/97/36/665219736.db2.gz QQXHYVUTPBPSJP-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000988010161 665272000 /nfs/dbraw/zinc/27/20/00/665272000.db2.gz HFMNNLWLENKERM-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000906459472 666053763 /nfs/dbraw/zinc/05/37/63/666053763.db2.gz MSLPYYZJOJVAKB-UHFFFAOYSA-N 2 0 352.523 0.441 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000906647266 666060635 /nfs/dbraw/zinc/06/06/35/666060635.db2.gz APPOEEXUZKJVKE-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000908120378 666186765 /nfs/dbraw/zinc/18/67/65/666186765.db2.gz UKRQVTFQWORZAZ-SFHVURJKSA-N 2 0 354.539 0.756 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccco1 ZINC000911004366 666304866 /nfs/dbraw/zinc/30/48/66/666304866.db2.gz YFURTMGHKNVHII-LSDHHAIUSA-N 2 0 350.463 0.976 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911033688 666307159 /nfs/dbraw/zinc/30/71/59/666307159.db2.gz JQUXVUIOVAPLPB-JYJNAYRXSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000911166788 666319333 /nfs/dbraw/zinc/31/93/33/666319333.db2.gz VUYQZPDREHSAHY-CJNGLKHVSA-N 2 0 350.438 0.742 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000911229177 666327563 /nfs/dbraw/zinc/32/75/63/666327563.db2.gz JLVUTYGDOGXQPY-OAHLLOKOSA-N 2 0 368.547 0.662 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911336794 666338249 /nfs/dbraw/zinc/33/82/49/666338249.db2.gz NNNWICWKFRSMIH-HOTGVXAUSA-N 2 0 352.479 0.004 20 0 FCADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000912586136 666459065 /nfs/dbraw/zinc/45/90/65/666459065.db2.gz NARHOBFKZPBNAJ-UHFFFAOYSA-N 2 0 351.495 0.657 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000938718038 666478538 /nfs/dbraw/zinc/47/85/38/666478538.db2.gz ZJSCDAJDAVEAPH-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056525062 666550575 /nfs/dbraw/zinc/55/05/75/666550575.db2.gz MSRBVGICACDJML-UHFFFAOYSA-N 2 0 354.495 0.951 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001030328609 666573931 /nfs/dbraw/zinc/57/39/31/666573931.db2.gz PJFXSOZMEPHDGI-QGTPRVQTSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000992089750 666618281 /nfs/dbraw/zinc/61/82/81/666618281.db2.gz NMHVFDRRGRVRCN-GDBMZVCRSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992313223 666632971 /nfs/dbraw/zinc/63/29/71/666632971.db2.gz LOIDACPHYVVIJV-DJIMGWMZSA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000943707839 666784241 /nfs/dbraw/zinc/78/42/41/666784241.db2.gz GYHNWMLADGQUGP-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000916017570 666986529 /nfs/dbraw/zinc/98/65/29/666986529.db2.gz HEVJQKFZXBNSNO-MRXNPFEDSA-N 2 0 357.568 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC000997794258 667176594 /nfs/dbraw/zinc/17/65/94/667176594.db2.gz YTEXHQDBXDYWGE-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000998179031 667200345 /nfs/dbraw/zinc/20/03/45/667200345.db2.gz RPQJQGGCBHBRTH-NXNVCVFFSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000999199016 667230691 /nfs/dbraw/zinc/23/06/91/667230691.db2.gz FURSYPOHCBIKME-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001002244926 667526348 /nfs/dbraw/zinc/52/63/48/667526348.db2.gz AGSPOUZDTQDEMG-HDEZJCGLSA-N 2 0 350.507 0.632 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002460328 667543082 /nfs/dbraw/zinc/54/30/82/667543082.db2.gz DCKYIQBTELMMRL-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001002859673 667571964 /nfs/dbraw/zinc/57/19/64/667571964.db2.gz CKPXIFVPXCRNMD-UKRRQHHQSA-N 2 0 350.463 0.056 20 0 FCADRP C[NH+](C)CCNC(=S)N[C@H]1CC[C@H](NC(=S)NCC[NH+](C)C)CC1 ZINC000753897003 667574983 /nfs/dbraw/zinc/57/49/83/667574983.db2.gz JFUIENRGQXFHIL-HDJSIYSDSA-N 2 0 374.624 0.349 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCO1 ZINC000755236641 667627206 /nfs/dbraw/zinc/62/72/06/667627206.db2.gz RVOBFHGACXXFMC-QGZVFWFLSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001033092421 667669956 /nfs/dbraw/zinc/66/99/56/667669956.db2.gz SXJSHBGZFRZWTA-BRWVUGGUSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001034570953 667761213 /nfs/dbraw/zinc/76/12/13/667761213.db2.gz NBHRCUTVBTXSLZ-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001034570954 667761235 /nfs/dbraw/zinc/76/12/35/667761235.db2.gz NBHRCUTVBTXSLZ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001034647636 667762145 /nfs/dbraw/zinc/76/21/45/667762145.db2.gz OCZLYNIKYHNRJJ-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+](CC(=O)NC)C3)CC2)CC[N@@H+]1C ZINC001035186837 667775109 /nfs/dbraw/zinc/77/51/09/667775109.db2.gz LCINRCHATGBMII-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@H](C)C(N)=O)C3)CC2)CC[N@@H+]1C ZINC001035188296 667775444 /nfs/dbraw/zinc/77/54/44/667775444.db2.gz YRWVKUTWVYVGOQ-OWCLPIDISA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378444 667829463 /nfs/dbraw/zinc/82/94/63/667829463.db2.gz CKIXSMWVFRDNOY-BBWFWOEESA-N 2 0 354.495 0.383 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923419388 667834002 /nfs/dbraw/zinc/83/40/02/667834002.db2.gz AZPQBWDHZVDUPM-WCXIOVBPSA-N 2 0 351.491 0.497 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC000946909156 667841799 /nfs/dbraw/zinc/84/17/99/667841799.db2.gz ICTRIKGKIGIGLA-ZMSDIMECSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000923589586 667853045 /nfs/dbraw/zinc/85/30/45/667853045.db2.gz QRNQMBDITYTYIO-KRWDZBQOSA-N 2 0 352.504 0.563 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000761676982 667893550 /nfs/dbraw/zinc/89/35/50/667893550.db2.gz GBQYCYPVOWFGHU-HZPDHXFCSA-N 2 0 354.495 0.384 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000739020054 667935305 /nfs/dbraw/zinc/93/53/05/667935305.db2.gz CFADZUQVDTXQIJ-IAGOWNOFSA-N 2 0 354.495 0.650 20 0 FCADRP COC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000777931075 668342886 /nfs/dbraw/zinc/34/28/86/668342886.db2.gz WSNAZKUXXBKLRW-UHFFFAOYSA-N 2 0 372.491 0.979 20 0 FCADRP C[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058046 668975233 /nfs/dbraw/zinc/97/52/33/668975233.db2.gz CYWZRFXRUJKVPX-YJBOKZPZSA-N 2 0 358.527 0.735 20 0 FCADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000819058541 668975317 /nfs/dbraw/zinc/97/53/17/668975317.db2.gz LOGRXBZJMSNTGF-YJBOKZPZSA-N 2 0 369.531 0.597 20 0 FCADRP CS(=O)(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000819377472 668999981 /nfs/dbraw/zinc/99/99/81/668999981.db2.gz QPLIYSZIZDJRCK-UHFFFAOYSA-N 2 0 353.488 0.518 20 0 FCADRP CC(=O)N1CCC(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799179830 669287919 /nfs/dbraw/zinc/28/79/19/669287919.db2.gz VUHMFRQJQABLDL-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863230 669599835 /nfs/dbraw/zinc/59/98/35/669599835.db2.gz FDGMCDDIGAHQQB-INIZCTEOSA-N 2 0 359.536 0.909 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483899 669703071 /nfs/dbraw/zinc/70/30/71/669703071.db2.gz FHIKXIGRCRQVHD-ROUUACIJSA-N 2 0 352.523 0.772 20 0 FCADRP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817907782 670047808 /nfs/dbraw/zinc/04/78/08/670047808.db2.gz WLXHGXTXRFEJOY-CVEARBPZSA-N 2 0 354.472 0.991 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000867225266 670091510 /nfs/dbraw/zinc/09/15/10/670091510.db2.gz LKDCDQRKILCMPM-UHFFFAOYSA-N 2 0 372.579 0.762 20 0 FCADRP C[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000841725330 670606696 /nfs/dbraw/zinc/60/66/96/670606696.db2.gz MHUFGOHGZFVEKF-JKSUJKDBSA-N 2 0 353.511 0.890 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842481898 670693883 /nfs/dbraw/zinc/69/38/83/670693883.db2.gz PJDVDKDXXJKVOE-UHFFFAOYSA-N 2 0 351.885 0.738 20 0 FCADRP CC(C)N(CCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1)S(C)(=O)=O ZINC000843355473 670804762 /nfs/dbraw/zinc/80/47/62/670804762.db2.gz RBEHVGGXACKABV-UHFFFAOYSA-N 2 0 362.540 0.364 20 0 FCADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378858 670810160 /nfs/dbraw/zinc/81/01/60/670810160.db2.gz JXYWCXMYIXXHNZ-MRXNPFEDSA-N 2 0 351.451 0.333 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844179178 670906272 /nfs/dbraw/zinc/90/62/72/670906272.db2.gz REHWEPYFRMTMJG-KZNAEPCWSA-N 2 0 352.523 0.772 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706833 671139392 /nfs/dbraw/zinc/13/93/92/671139392.db2.gz QMRIPATVDOPFFQ-STQMWFEESA-N 2 0 351.451 0.474 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000851685331 671457375 /nfs/dbraw/zinc/45/73/75/671457375.db2.gz RRJRWIQVMFIHJT-OAHLLOKOSA-N 2 0 352.479 0.134 20 0 FCADRP CN(CC[N@H+](C)CCn1cnc(Br)n1)C1CC[NH+](C)CC1 ZINC000851872573 671475206 /nfs/dbraw/zinc/47/52/06/671475206.db2.gz JTYUZUOJGYNBIS-UHFFFAOYSA-N 2 0 359.316 0.998 20 0 FCADRP CCN(C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)S(C)(=O)=O ZINC000903728632 675964572 /nfs/dbraw/zinc/96/45/72/675964572.db2.gz CUGYEQISPOBYQI-MRXNPFEDSA-N 2 0 359.536 0.891 20 0 FCADRP NC(=O)C1(N2CCCCC2)CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783560 675973127 /nfs/dbraw/zinc/97/31/27/675973127.db2.gz ZEIRTDFEUOPWLZ-FUHWJXTLSA-N 2 0 350.507 0.561 20 0 FCADRP Cn1ccnc1[C@](O)(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863550899 672136326 /nfs/dbraw/zinc/13/63/26/672136326.db2.gz DSTGHNTXECKAJI-TZMCWYRMSA-N 2 0 350.385 0.606 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000865924727 672256060 /nfs/dbraw/zinc/25/60/60/672256060.db2.gz BCCSQCGCDYVGCT-OKILXGFUSA-N 2 0 360.449 0.727 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000866738783 672294858 /nfs/dbraw/zinc/29/48/58/672294858.db2.gz XYVWUANSYQSEJU-UHFFFAOYSA-N 2 0 354.520 0.245 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000866761868 672300116 /nfs/dbraw/zinc/30/01/16/672300116.db2.gz BQZMTARXLVBCEZ-ZWKOTPCHSA-N 2 0 366.531 0.380 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000866764496 672300913 /nfs/dbraw/zinc/30/09/13/672300913.db2.gz NFYYNZUOEHIRDB-SFHVURJKSA-N 2 0 366.531 0.430 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232715 672390059 /nfs/dbraw/zinc/39/00/59/672390059.db2.gz RZRYPUHQLHDAGG-ZBFHGGJFSA-N 2 0 372.535 0.231 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000868355771 672395306 /nfs/dbraw/zinc/39/53/06/672395306.db2.gz NXWUXTYETQHGIO-SFHVURJKSA-N 2 0 369.579 0.845 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000868647597 672406186 /nfs/dbraw/zinc/40/61/86/672406186.db2.gz LMRYJFUYABROQK-UHFFFAOYSA-N 2 0 353.511 0.130 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC3CC3)CC2)CC[N@@H+]1C ZINC001055583497 676025319 /nfs/dbraw/zinc/02/53/19/676025319.db2.gz QCBMQYAUMPUEHE-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583630 676025397 /nfs/dbraw/zinc/02/53/97/676025397.db2.gz VYRJTDCSKKTREP-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)c1csc(C2CC[NH2+]CC2)n1 ZINC000877088880 672997411 /nfs/dbraw/zinc/99/74/11/672997411.db2.gz DGBYVUNQXYTMEP-ZDUSSCGKSA-N 2 0 361.475 0.666 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC001051623295 676106691 /nfs/dbraw/zinc/10/66/91/676106691.db2.gz DDILLZMJHGDYOT-OKZBNKHCSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879568921 673127974 /nfs/dbraw/zinc/12/79/74/673127974.db2.gz FWUUFROTWQJZND-KSZLIROESA-N 2 0 352.523 0.485 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001051625324 676107189 /nfs/dbraw/zinc/10/71/89/676107189.db2.gz YVXNLOPTPCAMOO-XOKHGSTOSA-N 2 0 350.438 0.878 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001052393440 676122896 /nfs/dbraw/zinc/12/28/96/676122896.db2.gz JXWJCLABGMBKEH-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000882471639 673313760 /nfs/dbraw/zinc/31/37/60/673313760.db2.gz YOAWPZVXWXHTFO-ZACQAIPSSA-N 2 0 361.552 0.947 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000882635342 673329526 /nfs/dbraw/zinc/32/95/26/673329526.db2.gz FZWKIGQKZSKZLI-BZSNNMDCSA-N 2 0 352.523 0.630 20 0 FCADRP [NH3+][C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884289690 673444281 /nfs/dbraw/zinc/44/42/81/673444281.db2.gz HOYCBLSALLWKSQ-GJZGRUSLSA-N 2 0 367.291 0.955 20 0 FCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000884431304 673453086 /nfs/dbraw/zinc/45/30/86/673453086.db2.gz QCYVLNKRUKBELM-QLFBSQMISA-N 2 0 352.479 0.780 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884491025 673456949 /nfs/dbraw/zinc/45/69/49/673456949.db2.gz LPGHRHUVKFXFJI-NWDGAFQWSA-N 2 0 365.503 0.476 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504054 673457775 /nfs/dbraw/zinc/45/77/75/673457775.db2.gz ZVHSSGNVPITMLO-KBPBESRZSA-N 2 0 360.449 0.584 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000884553537 673461569 /nfs/dbraw/zinc/46/15/69/673461569.db2.gz ALAWXTXXCYMDRH-BLFANLJRSA-N 2 0 362.396 0.323 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000884553538 673461594 /nfs/dbraw/zinc/46/15/94/673461594.db2.gz ALAWXTXXCYMDRH-DCQANWLSSA-N 2 0 362.396 0.323 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555438 673462014 /nfs/dbraw/zinc/46/20/14/673462014.db2.gz RKFPPFUHDQTMIM-CMPLNLGQSA-N 2 0 363.487 0.085 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCCCC1 ZINC000884576275 673463317 /nfs/dbraw/zinc/46/33/17/673463317.db2.gz DATJADBGTCTXMD-HNAYVOBHSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884577691 673463635 /nfs/dbraw/zinc/46/36/35/673463635.db2.gz KQVDHOJYVJQMGY-FRRDWIJNSA-N 2 0 364.412 0.573 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598265 673464685 /nfs/dbraw/zinc/46/46/85/673464685.db2.gz XBFXPOOUVIKFHR-TXPKVOOTSA-N 2 0 350.507 0.683 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884598101 673464718 /nfs/dbraw/zinc/46/47/18/673464718.db2.gz SSMKIDZMFZYCEK-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884601294 673464997 /nfs/dbraw/zinc/46/49/97/673464997.db2.gz HEKBXQQNNHOZCE-QJPTWQEYSA-N 2 0 352.401 0.429 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000884601692 673465016 /nfs/dbraw/zinc/46/50/16/673465016.db2.gz SPMGCQJOAQWHSM-JQWIXIFHSA-N 2 0 350.385 0.183 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000884607274 673465312 /nfs/dbraw/zinc/46/53/12/673465312.db2.gz UMDSYRCCRIRURY-YXWQFLTLSA-N 2 0 362.499 0.820 20 0 FCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000884607272 673465403 /nfs/dbraw/zinc/46/54/03/673465403.db2.gz UMDSYRCCRIRURY-ORIJERBGSA-N 2 0 362.499 0.820 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611974 673465974 /nfs/dbraw/zinc/46/59/74/673465974.db2.gz AEBCILGWQHRFPA-ROUUACIJSA-N 2 0 370.563 0.763 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611973 673465981 /nfs/dbraw/zinc/46/59/81/673465981.db2.gz AEBCILGWQHRFPA-QZTJIDSGSA-N 2 0 370.563 0.763 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884616925 673466234 /nfs/dbraw/zinc/46/62/34/673466234.db2.gz FENKXIMUXJPGQV-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000884632283 673468171 /nfs/dbraw/zinc/46/81/71/673468171.db2.gz CYANNHYCABFWRW-CQSZACIVSA-N 2 0 362.465 0.973 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000884640343 673468978 /nfs/dbraw/zinc/46/89/78/673468978.db2.gz BKXSHDBAXQMRRO-AAEUAGOBSA-N 2 0 364.412 0.573 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)C ZINC000884669157 673470920 /nfs/dbraw/zinc/47/09/20/673470920.db2.gz NXXFDIXFRFXYLF-QWHCGFSZSA-N 2 0 366.428 0.817 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C[NH+]1CCCC1 ZINC000884669615 673471263 /nfs/dbraw/zinc/47/12/63/673471263.db2.gz AWRMMSUWBODAIV-GFCCVEGCSA-N 2 0 365.503 0.335 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C[NH+]1CCCC1 ZINC000884669616 673471301 /nfs/dbraw/zinc/47/13/01/673471301.db2.gz AWRMMSUWBODAIV-LBPRGKRZSA-N 2 0 365.503 0.335 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000884669608 673471313 /nfs/dbraw/zinc/47/13/13/673471313.db2.gz AUKULSSVOWGUME-CLCXKQKWSA-N 2 0 350.507 0.953 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000884683263 673472407 /nfs/dbraw/zinc/47/24/07/673472407.db2.gz ALFXNLKMDMFIHT-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884726039 673477943 /nfs/dbraw/zinc/47/79/43/673477943.db2.gz FIHVIMUWXWNGQP-HRCADAONSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000884775876 673481176 /nfs/dbraw/zinc/48/11/76/673481176.db2.gz KUXJDGUDVYRSEV-IHRRRGAJSA-N 2 0 358.433 0.481 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884785643 673482008 /nfs/dbraw/zinc/48/20/08/673482008.db2.gz BNOPMVQOVXAOJA-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[NH2+]C1 ZINC000884876127 673487625 /nfs/dbraw/zinc/48/76/25/673487625.db2.gz VTAKPOYEPWZEMJ-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[NH2+]C1 ZINC000884884399 673488638 /nfs/dbraw/zinc/48/86/38/673488638.db2.gz CESUTTCWMJEITR-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884909206 673490601 /nfs/dbraw/zinc/49/06/01/673490601.db2.gz UBMMVSGMLLOKPZ-DJIMGWMZSA-N 2 0 350.507 0.810 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC[C@@H]21 ZINC000884970072 673494444 /nfs/dbraw/zinc/49/44/44/673494444.db2.gz CUQAOJKQXSTDJZ-PMPSAXMXSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000884973704 673494729 /nfs/dbraw/zinc/49/47/29/673494729.db2.gz CTUQEFBYXJLDFA-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000884986195 673495940 /nfs/dbraw/zinc/49/59/40/673495940.db2.gz KMWNKUMWBRVEQW-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138007 673505094 /nfs/dbraw/zinc/50/50/94/673505094.db2.gz NNPHSECNYJNXCX-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000885275619 673511079 /nfs/dbraw/zinc/51/10/79/673511079.db2.gz GMTMYLCINRYKKK-UONOGXRCSA-N 2 0 358.433 0.434 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276511 673511318 /nfs/dbraw/zinc/51/13/18/673511318.db2.gz SRMPJESLPNYANX-MGPQQGTHSA-N 2 0 358.433 0.290 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000887064646 673617804 /nfs/dbraw/zinc/61/78/04/673617804.db2.gz MFKIQEFTHZJLCS-CVEARBPZSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000887079426 673620540 /nfs/dbraw/zinc/62/05/40/673620540.db2.gz RDNDBNDOLIXEQS-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749503 673685059 /nfs/dbraw/zinc/68/50/59/673685059.db2.gz IGPXJNRRCNHWLW-ROUUACIJSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925708621 673798980 /nfs/dbraw/zinc/79/89/80/673798980.db2.gz RXFPBYIFEFVHIZ-CYBMUJFWSA-N 2 0 351.472 0.858 20 0 FCADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000926203718 673816381 /nfs/dbraw/zinc/81/63/81/673816381.db2.gz YCCVDULZVNDCTP-JKSUJKDBSA-N 2 0 360.568 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C[C@H]1[NH3+] ZINC000926320055 673822273 /nfs/dbraw/zinc/82/22/73/673822273.db2.gz JSYHUXABEQVAHF-LTIDMASMSA-N 2 0 350.507 0.905 20 0 FCADRP CN1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)C[C@H]21 ZINC000927637117 673872974 /nfs/dbraw/zinc/87/29/74/673872974.db2.gz NLZXJIOKLMSWPQ-GVDBMIGSSA-N 2 0 352.479 0.354 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000968728095 675227124 /nfs/dbraw/zinc/22/71/24/675227124.db2.gz DGAJNPDBARACIM-FVQBIDKESA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001007376963 675288617 /nfs/dbraw/zinc/28/86/17/675288617.db2.gz PKTIEFHENVPBLP-DJIMGWMZSA-N 2 0 371.547 0.732 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001011211122 675377297 /nfs/dbraw/zinc/37/72/97/675377297.db2.gz YNTAYKNRTMGSOB-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC001016631043 675402978 /nfs/dbraw/zinc/40/29/78/675402978.db2.gz MBZLNLIKMHLKBI-XHSDSOJGSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)CC[N@@H+]1C ZINC001020171126 675436212 /nfs/dbraw/zinc/43/62/12/675436212.db2.gz OQQJUGQSVDDXJT-WRQOLXDDSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020172107 675436447 /nfs/dbraw/zinc/43/64/47/675436447.db2.gz MIGRPHKACDKYEG-OXGONZEZSA-N 2 0 357.520 0.388 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438691 675681506 /nfs/dbraw/zinc/68/15/06/675681506.db2.gz CFLMSNKRMIKITL-OPQOLIRYSA-N 2 0 351.491 0.857 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000900841989 675722898 /nfs/dbraw/zinc/72/28/98/675722898.db2.gz FVNJDYWUAVJUGX-GOSISDBHSA-N 2 0 352.523 0.583 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000900844997 675723548 /nfs/dbraw/zinc/72/35/48/675723548.db2.gz IZXUOCXLDYQTTQ-ROUUACIJSA-N 2 0 354.539 0.706 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001047241281 675788592 /nfs/dbraw/zinc/78/85/92/675788592.db2.gz PGUNBCLBUDCAHK-DJIMGWMZSA-N 2 0 350.507 0.763 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386023 675796225 /nfs/dbraw/zinc/79/62/25/675796225.db2.gz KAMYKSIWYCSLJV-MHORFTMASA-N 2 0 353.507 0.789 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001048529212 675859465 /nfs/dbraw/zinc/85/94/65/675859465.db2.gz JKWFFMPDEPKIJA-RGGMIXCSSA-N 2 0 350.507 0.950 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000897497142 1192214078 /nfs/dbraw/zinc/21/40/78/1192214078.db2.gz VUMXMPQPXXEVIF-NJAFHUGGSA-N 2 0 371.485 0.862 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000969126256 1167736900 /nfs/dbraw/zinc/73/69/00/1167736900.db2.gz UUVRVJQDCHXBIS-PDCGBLAGSA-N 2 0 362.518 0.869 20 0 FCADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CCN(C(C)C)C1=O ZINC001266418380 1168424413 /nfs/dbraw/zinc/42/44/13/1168424413.db2.gz XXHFKXONXBZUFI-BZUAXINKSA-N 2 0 361.490 0.971 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000970266932 1168675188 /nfs/dbraw/zinc/67/51/88/1168675188.db2.gz REODCPZWIVGYCX-IKGGRYGDSA-N 2 0 368.522 0.135 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491463 1169424519 /nfs/dbraw/zinc/42/45/19/1169424519.db2.gz XLPOSXIWRXVPSY-QRFRQXIXSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C ZINC001104294232 1169682793 /nfs/dbraw/zinc/68/27/93/1169682793.db2.gz DSQOAOLVSIIGES-RBSFLKMASA-N 2 0 363.510 0.830 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CCNC1=O ZINC001691042170 1169859364 /nfs/dbraw/zinc/85/93/64/1169859364.db2.gz FMGSSEUFAFDOIQ-SQNIBIBYSA-N 2 0 358.486 0.658 20 0 FCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104310923 1169883853 /nfs/dbraw/zinc/88/38/53/1169883853.db2.gz KFHIRSHEFSRNPM-RBSFLKMASA-N 2 0 367.494 0.130 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC001021698577 1169893201 /nfs/dbraw/zinc/89/32/01/1169893201.db2.gz GVLWCSGYHVEMMF-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001021712712 1169916103 /nfs/dbraw/zinc/91/61/03/1169916103.db2.gz SWSXHKLCVZDOLQ-XLAORIBOSA-N 2 0 362.518 0.872 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001691774373 1169935112 /nfs/dbraw/zinc/93/51/12/1169935112.db2.gz RIODYXAGWZESOI-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104346667 1170130005 /nfs/dbraw/zinc/13/00/05/1170130005.db2.gz GVRLRPXVLGIGMH-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415253 1170371850 /nfs/dbraw/zinc/37/18/50/1170371850.db2.gz PDQKMESLWQRRMU-FPCVCCKLSA-N 2 0 365.478 0.295 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104362727 1170484729 /nfs/dbraw/zinc/48/47/29/1170484729.db2.gz GORGAXTYMPDLRP-ZIAGYGMSSA-N 2 0 366.510 0.413 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971573153 1170559788 /nfs/dbraw/zinc/55/97/88/1170559788.db2.gz QHKSVCOXFSREQC-HRCADAONSA-N 2 0 364.490 0.398 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617006 1192419517 /nfs/dbraw/zinc/41/95/17/1192419517.db2.gz VBWYOVVOFUEOKA-IKGGRYGDSA-N 2 0 365.522 0.569 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104367526 1170660294 /nfs/dbraw/zinc/66/02/94/1170660294.db2.gz XGAQZYZXRQURQX-BRWVUGGUSA-N 2 0 371.489 0.811 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022219214 1170766310 /nfs/dbraw/zinc/76/63/10/1170766310.db2.gz LQQAGFFOGANPRA-YESZJQIVSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1 ZINC001022251051 1170806569 /nfs/dbraw/zinc/80/65/69/1170806569.db2.gz BCKWCSWNYFQJIU-YESZJQIVSA-N 2 0 359.474 0.674 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001691143707 1170840572 /nfs/dbraw/zinc/84/05/72/1170840572.db2.gz WOGPBUNXOLJMKC-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022313852 1170849184 /nfs/dbraw/zinc/84/91/84/1170849184.db2.gz ZCUIVVBNQNAZCX-YQQAZPJKSA-N 2 0 359.474 0.662 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001691251409 1170890618 /nfs/dbraw/zinc/89/06/18/1170890618.db2.gz WUXMTXWLNNZYPL-HZSPNIEDSA-N 2 0 369.510 0.422 20 0 FCADRP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001691251211 1170890696 /nfs/dbraw/zinc/89/06/96/1170890696.db2.gz PGZBZYWTLYOTMD-RRFJBIMHSA-N 2 0 366.506 0.644 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104384863 1170902522 /nfs/dbraw/zinc/90/25/22/1170902522.db2.gz NNNJUSGBJGOIJR-HUUCEWRRSA-N 2 0 361.494 0.413 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001691263174 1170977499 /nfs/dbraw/zinc/97/74/99/1170977499.db2.gz HJEPJMWRTZPAEN-SOUVJXGZSA-N 2 0 361.494 0.724 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855619 1170983868 /nfs/dbraw/zinc/98/38/68/1170983868.db2.gz LGHUULIYFFKPRN-DLBZAZTESA-N 2 0 368.522 0.945 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933848712 1171021129 /nfs/dbraw/zinc/02/11/29/1171021129.db2.gz PHPUVJSJDVBGDS-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1C[NH2+]CCCO ZINC001691323576 1171092788 /nfs/dbraw/zinc/09/27/88/1171092788.db2.gz MUVABWCLWHMDQY-ZMSDIMECSA-N 2 0 350.463 0.281 20 0 FCADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC[N@H+](C)CCO)cccc21 ZINC000892214057 1171753837 /nfs/dbraw/zinc/75/38/37/1171753837.db2.gz MXHSLUICUZHMOY-OAHLLOKOSA-N 2 0 364.446 0.051 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC000972153101 1171806710 /nfs/dbraw/zinc/80/67/10/1171806710.db2.gz UXLCBAUZWNHPMC-IXDOHACOSA-N 2 0 359.474 0.815 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC001022723647 1171817335 /nfs/dbraw/zinc/81/73/35/1171817335.db2.gz BIHXBEUYQWLCEH-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001022747276 1171855564 /nfs/dbraw/zinc/85/55/64/1171855564.db2.gz AHJIOTJGWRRJBS-MDMSPXHWSA-N 2 0 358.486 0.833 20 0 FCADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001022748501 1171856278 /nfs/dbraw/zinc/85/62/78/1171856278.db2.gz ZMAOJYXLFMGJKA-MTHXSQLBSA-N 2 0 370.497 0.799 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000972236627 1171873631 /nfs/dbraw/zinc/87/36/31/1171873631.db2.gz GOFBGTUWQJFNGY-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC000972243223 1171879538 /nfs/dbraw/zinc/87/95/38/1171879538.db2.gz RTIWWZLEQLMINR-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000989026149 1192631831 /nfs/dbraw/zinc/63/18/31/1192631831.db2.gz DQHIDMZTMXYFGO-ZBFHGGJFSA-N 2 0 359.474 0.926 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000897785860 1192846737 /nfs/dbraw/zinc/84/67/37/1192846737.db2.gz PHEITXQUTRZTMR-OAHLLOKOSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000898069731 1192857040 /nfs/dbraw/zinc/85/70/40/1192857040.db2.gz VDRGOOSMXSYEFA-SJORKVTESA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000989482780 1192871179 /nfs/dbraw/zinc/87/11/79/1192871179.db2.gz SUDWQZBTVHDQJH-SJORKVTESA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001691554602 1192874497 /nfs/dbraw/zinc/87/44/97/1192874497.db2.gz OCQUWFHUKHKNJL-ZJPYXAASSA-N 2 0 364.534 0.974 20 0 FCADRP Cc1nccn1CC(=O)c1cccc(-c2noc(C[C@@H](N)C(N)=O)n2)c1 ZINC001211591352 1179237678 /nfs/dbraw/zinc/23/76/78/1179237678.db2.gz UWKXHAUMCYUOKA-CYBMUJFWSA-N 2 0 354.370 0.480 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023380908 1179509747 /nfs/dbraw/zinc/50/97/47/1179509747.db2.gz IWBRLSJBLCLATK-YESZJQIVSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21)C1CC1 ZINC000972648302 1180186293 /nfs/dbraw/zinc/18/62/93/1180186293.db2.gz FWHMCCOBPUSZKL-SZVBFZGTSA-N 2 0 362.518 0.870 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2)c1nnnn1C ZINC001112518891 1180852491 /nfs/dbraw/zinc/85/24/91/1180852491.db2.gz IFWNVHPVOJRQIJ-VKJFTORMSA-N 2 0 363.510 0.831 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001024503380 1181252985 /nfs/dbraw/zinc/25/29/85/1181252985.db2.gz BWURIXKLQSRHPG-IXDOHACOSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892479955 1181299331 /nfs/dbraw/zinc/29/93/31/1181299331.db2.gz VHBRUKKICGBWPC-UHFFFAOYSA-N 2 0 364.490 0.883 20 0 FCADRP CC(=O)N1C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)Oc2ccccc21 ZINC000728611408 1181301539 /nfs/dbraw/zinc/30/15/39/1181301539.db2.gz DSLNOYFITZKKLX-GOSISDBHSA-N 2 0 362.474 0.752 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001691766084 1181516511 /nfs/dbraw/zinc/51/65/11/1181516511.db2.gz LJOVJOZSLKBJPK-RCCFBDPRSA-N 2 0 363.506 0.678 20 0 FCADRP Cc1cncn1CC(=O)NC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000947250247 1181658472 /nfs/dbraw/zinc/65/84/72/1181658472.db2.gz TVSZDJJABUKWFH-GDBMZVCRSA-N 2 0 363.462 0.018 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000947251462 1181813546 /nfs/dbraw/zinc/81/35/46/1181813546.db2.gz NMEIKMRQJGRUTF-ZMSDIMECSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)O1 ZINC000892543106 1181844047 /nfs/dbraw/zinc/84/40/47/1181844047.db2.gz CVNKSVZPJCZXGA-ZBFHGGJFSA-N 2 0 361.446 0.597 20 0 FCADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1C ZINC001024998948 1181844093 /nfs/dbraw/zinc/84/40/93/1181844093.db2.gz MTMMHHCSRXWLRA-KBAYOESNSA-N 2 0 363.506 0.918 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000892543952 1181847152 /nfs/dbraw/zinc/84/71/52/1181847152.db2.gz LIVQUKJDYDNUEO-HDICACEKSA-N 3 0 372.517 0.797 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972995596 1181869702 /nfs/dbraw/zinc/86/97/02/1181869702.db2.gz XWVNMVDJVLAWOR-CGTJXYLNSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000973312667 1182223240 /nfs/dbraw/zinc/22/32/40/1182223240.db2.gz WSMUYSTWPRUNRA-KFGODFMUSA-N 2 0 362.518 0.822 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104580837 1182246510 /nfs/dbraw/zinc/24/65/10/1182246510.db2.gz JKPATCVBXVUFDR-BRWVUGGUSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC1CCOCC1 ZINC001104621550 1182291342 /nfs/dbraw/zinc/29/13/42/1182291342.db2.gz GPLUTBJVSYOYLO-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625633 1182302384 /nfs/dbraw/zinc/30/23/84/1182302384.db2.gz WACQWIVICZLSFY-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104665170 1182346438 /nfs/dbraw/zinc/34/64/38/1182346438.db2.gz OQOXNORVPDTPMZ-RBSFLKMASA-N 2 0 361.490 0.992 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104676670 1182359212 /nfs/dbraw/zinc/35/92/12/1182359212.db2.gz SXDZLKUVYQVZND-QLFBSQMISA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104683862 1182366644 /nfs/dbraw/zinc/36/66/44/1182366644.db2.gz QTGAGPBKTWTIPC-SJLPKXTDSA-N 2 0 360.502 0.720 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892789774 1182507271 /nfs/dbraw/zinc/50/72/71/1182507271.db2.gz SUIAOTOBIMGPNW-QGZVFWFLSA-N 2 0 361.490 0.362 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001025683099 1182678214 /nfs/dbraw/zinc/67/82/14/1182678214.db2.gz HKHKTTYTYOOULS-IAOVAPTHSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001112523045 1182774519 /nfs/dbraw/zinc/77/45/19/1182774519.db2.gz ZPODVWNYPJUTQJ-BXWFABGCSA-N 2 0 360.506 0.935 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC[N@@H+]1C ZINC001025795045 1182847085 /nfs/dbraw/zinc/84/70/85/1182847085.db2.gz LUMASRFHASJGHW-WMOPWKTHSA-N 2 0 362.518 0.679 20 0 FCADRP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001025919021 1182868072 /nfs/dbraw/zinc/86/80/72/1182868072.db2.gz AJHCONIGYKODED-OXODIDRGSA-N 2 0 369.481 0.661 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104846736 1182953457 /nfs/dbraw/zinc/95/34/57/1182953457.db2.gz HNDGHYWEVHURGG-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CCCC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104908300 1182991247 /nfs/dbraw/zinc/99/12/47/1182991247.db2.gz QMWOFKYSPHUWLN-BRWVUGGUSA-N 2 0 370.538 0.683 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000974163997 1183021508 /nfs/dbraw/zinc/02/15/08/1183021508.db2.gz WSMUYSTWPRUNRA-IGKNDFSCSA-N 2 0 362.518 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000974189020 1183038509 /nfs/dbraw/zinc/03/85/09/1183038509.db2.gz VQFFSPIPZZOXDM-APIJFGDWSA-N 2 0 359.474 0.865 20 0 FCADRP COCCOC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014260 1183069290 /nfs/dbraw/zinc/06/92/90/1183069290.db2.gz JGXODBDSKLIBNP-KURKYZTESA-N 2 0 371.522 0.180 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001026564908 1183158208 /nfs/dbraw/zinc/15/82/08/1183158208.db2.gz KLKPXGGKOTWRJI-HIEASXQVSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001026852742 1183415458 /nfs/dbraw/zinc/41/54/58/1183415458.db2.gz PYEYDJIMLYVEEG-QLFBSQMISA-N 2 0 362.478 0.087 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnnn1C ZINC001268005489 1183468401 /nfs/dbraw/zinc/46/84/01/1183468401.db2.gz VJFHKZCWGSMMBT-UAGQMJEPSA-N 2 0 371.489 0.397 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975210604 1183773459 /nfs/dbraw/zinc/77/34/59/1183773459.db2.gz IVVOBXSNCJZWQN-BRWVUGGUSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)C1 ZINC000975784134 1185777721 /nfs/dbraw/zinc/77/77/21/1185777721.db2.gz PKZBUOUSWNZSDM-SZMVWBNQSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)[NH+](C)C ZINC000975822433 1185819006 /nfs/dbraw/zinc/81/90/06/1185819006.db2.gz SPYGAMNSIGMPQQ-ULQDDVLXSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)[NH+](C)C ZINC000975821653 1185819055 /nfs/dbraw/zinc/81/90/55/1185819055.db2.gz FTUANIKFRDRNRQ-ULQDDVLXSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112529718 1186090374 /nfs/dbraw/zinc/09/03/74/1186090374.db2.gz LZIRRGDUFTVGAM-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000980063332 1186171156 /nfs/dbraw/zinc/17/11/56/1186171156.db2.gz KBUYHONMNOCFLV-LUKYLMHMSA-N 2 0 362.518 0.824 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691496318 1186229558 /nfs/dbraw/zinc/22/95/58/1186229558.db2.gz UHAIRHWDJWWJMX-HRCADAONSA-N 2 0 359.536 0.732 20 0 FCADRP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001481536128 1186248111 /nfs/dbraw/zinc/24/81/11/1186248111.db2.gz JCSMYGPOCKNFDD-KSZLIROESA-N 2 0 369.506 0.483 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)N1CCCC1 ZINC001028146164 1186553585 /nfs/dbraw/zinc/55/35/85/1186553585.db2.gz XPYCXAPSLMVKRB-ARFHVFGLSA-N 2 0 359.474 0.727 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC001028146109 1186553719 /nfs/dbraw/zinc/55/37/19/1186553719.db2.gz VLRXUFMUPFCGSB-BZUAXINKSA-N 2 0 359.474 0.727 20 0 FCADRP CCOC(=O)c1cnc2ccc(OC)nc2c1NC(=[NH2+])NCCCC[NH3+] ZINC001167883648 1186654795 /nfs/dbraw/zinc/65/47/95/1186654795.db2.gz KXTCUUCKOFQAGZ-UHFFFAOYSA-N 2 0 360.418 0.912 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001691501316 1186684307 /nfs/dbraw/zinc/68/43/07/1186684307.db2.gz MYYPMRFKKQCODA-ZQDZILKHSA-N 2 0 363.462 0.828 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CCn4cncn4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282582 1186697580 /nfs/dbraw/zinc/69/75/80/1186697580.db2.gz CJVRWVNESGEMQL-RWQQGDIJSA-N 2 0 360.506 0.789 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720515 1187466015 /nfs/dbraw/zinc/46/60/15/1187466015.db2.gz JXAAOGNSEVPQID-OKZBNKHCSA-N 2 0 358.486 0.658 20 0 FCADRP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)N1CCOCC1 ZINC000332705591 1187536728 /nfs/dbraw/zinc/53/67/28/1187536728.db2.gz VQQYXDVAGFWIKI-BRWVUGGUSA-N 2 0 369.506 0.075 20 0 FCADRP COc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CN(C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581864 /nfs/dbraw/zinc/58/18/64/1187581864.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 0 360.458 0.454 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000982822008 1187737239 /nfs/dbraw/zinc/73/72/39/1187737239.db2.gz XRROJLCKMXWJRN-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000982929358 1187800300 /nfs/dbraw/zinc/80/03/00/1187800300.db2.gz BKDLRCOKXVDURP-GVDBMIGSSA-N 2 0 366.506 0.014 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423242674 1187851449 /nfs/dbraw/zinc/85/14/49/1187851449.db2.gz FNZZBQGPEZZLIO-IAGOWNOFSA-N 2 0 368.522 0.389 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001270062011 1187986709 /nfs/dbraw/zinc/98/67/09/1187986709.db2.gz USNWRGWLBBOHAD-MRXNPFEDSA-N 2 0 366.506 0.251 20 0 FCADRP CCOC1CC(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)(N2CCOCC2)C1 ZINC000894463953 1188219779 /nfs/dbraw/zinc/21/97/79/1188219779.db2.gz BMCDSGJYGNJQAU-XNGIKWSVSA-N 2 0 366.506 0.602 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601896 1188235283 /nfs/dbraw/zinc/23/52/83/1188235283.db2.gz NMAQPWMMYZRUQI-DLBZAZTESA-N 2 0 367.538 0.253 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC000983705709 1188276995 /nfs/dbraw/zinc/27/69/95/1188276995.db2.gz ZSLBILZRXKMRCX-KBUPBQIOSA-N 2 0 362.478 0.133 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409825 1188356834 /nfs/dbraw/zinc/35/68/34/1188356834.db2.gz BNVXEIMUMZXYQW-MOPGFXCFSA-N 2 0 372.513 0.972 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087574159 1189609649 /nfs/dbraw/zinc/60/96/49/1189609649.db2.gz VFKBQAPCZIPHMH-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593657 1189640555 /nfs/dbraw/zinc/64/05/55/1189640555.db2.gz PEJSEYKIUWANAV-GVDBMIGSSA-N 2 0 365.522 0.855 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087712699 1189800368 /nfs/dbraw/zinc/80/03/68/1189800368.db2.gz WKESLBZMFQWCQI-OKZBNKHCSA-N 2 0 363.506 0.555 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271140565 1189810769 /nfs/dbraw/zinc/81/07/69/1189810769.db2.gz TYPCHCHCDYJKEW-HNAYVOBHSA-N 2 0 364.490 0.400 20 0 FCADRP CCC(CC)[NH2+]CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000895333334 1189836175 /nfs/dbraw/zinc/83/61/75/1189836175.db2.gz FVADSUCTKKSHCQ-UHFFFAOYSA-N 2 0 369.554 0.860 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895560851 1189865539 /nfs/dbraw/zinc/86/55/39/1189865539.db2.gz JWMYRPIBYRRSCD-CQSZACIVSA-N 2 0 357.462 0.885 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908780 1189894080 /nfs/dbraw/zinc/89/40/80/1189894080.db2.gz NEOGUZSPTUXAIU-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088019930 1190238089 /nfs/dbraw/zinc/23/80/89/1190238089.db2.gz MXZSSJTWOBNBFR-KFWWJZLASA-N 2 0 355.442 0.910 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028122 1190267295 /nfs/dbraw/zinc/26/72/95/1190267295.db2.gz WSWIAYFMJFJNQI-HLLBOEOZSA-N 2 0 355.442 0.992 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107128 1190595009 /nfs/dbraw/zinc/59/50/09/1190595009.db2.gz IIKPHLFIAGSWFJ-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)C1 ZINC001088107329 1190596198 /nfs/dbraw/zinc/59/61/98/1190596198.db2.gz RQZICTLGXJILDU-CVEARBPZSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000985164051 1190660734 /nfs/dbraw/zinc/66/07/34/1190660734.db2.gz JVFCOMYSIUKWLX-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142014 1190662953 /nfs/dbraw/zinc/66/29/53/1190662953.db2.gz OHHRHQSNQOERMD-MSOLQXFVSA-N 2 0 358.486 0.888 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985165466 1190663739 /nfs/dbraw/zinc/66/37/39/1190663739.db2.gz CPIXBAUPYFIWIM-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC001276755905 1224107266 /nfs/dbraw/zinc/10/72/66/1224107266.db2.gz BSUTWBZVKMEXEV-FQEVSTJZSA-N 2 0 356.470 0.817 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986127215 1190899585 /nfs/dbraw/zinc/89/95/85/1190899585.db2.gz LRVBBVFYFYITFF-ZACQAIPSSA-N 2 0 359.474 0.450 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986138264 1190904288 /nfs/dbraw/zinc/90/42/88/1190904288.db2.gz VLXWPYXHWOSPRS-KSZLIROESA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001029965829 1191039341 /nfs/dbraw/zinc/03/93/41/1191039341.db2.gz BPFRUVQOGXUYSN-FVQBIDKESA-N 2 0 364.490 0.302 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986623161 1191069124 /nfs/dbraw/zinc/06/91/24/1191069124.db2.gz AJWLZLAQZPNKKE-XMTFNYHQSA-N 2 0 364.534 0.974 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc1)C(N)=O ZINC001218333330 1224154079 /nfs/dbraw/zinc/15/40/79/1224154079.db2.gz GHQVFQIMLRWHJE-SQNIBIBYSA-N 2 0 374.485 0.479 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1)C(N)=O ZINC001218388959 1224157696 /nfs/dbraw/zinc/15/76/96/1224157696.db2.gz WCNYJPAXGBJOAS-ISWURRPUSA-N 2 0 362.474 0.312 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000550641897 1193719352 /nfs/dbraw/zinc/71/93/52/1193719352.db2.gz DZYPYKMKLGKJKK-MRXNPFEDSA-N 2 0 373.501 0.715 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550652284 1193724865 /nfs/dbraw/zinc/72/48/65/1193724865.db2.gz BOBCWNCUNIJWPU-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001168321574 1193756210 /nfs/dbraw/zinc/75/62/10/1193756210.db2.gz IBQSVPLPXHYLSD-RTHYRTHZSA-N 2 0 359.474 0.778 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)nc2)CC1 ZINC001218516000 1224165777 /nfs/dbraw/zinc/16/57/77/1224165777.db2.gz QCWUBOWSYLGZPI-INIZCTEOSA-N 3 0 358.490 0.646 20 0 FCADRP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465411 1193762531 /nfs/dbraw/zinc/76/25/31/1193762531.db2.gz CTONWBQLNSOTIA-QRVBRYPASA-N 2 0 359.470 0.182 20 0 FCADRP COc1ncccc1CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465497 1193765274 /nfs/dbraw/zinc/76/52/74/1193765274.db2.gz HBHLHIMNCBIMJM-ZACQAIPSSA-N 2 0 360.458 0.093 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000551077732 1193831806 /nfs/dbraw/zinc/83/18/06/1193831806.db2.gz TVKMZCJURFVSIC-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000551111859 1193833442 /nfs/dbraw/zinc/83/34/42/1193833442.db2.gz PGWGJWYTNDCNGI-JKSUJKDBSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001060037255 1193861409 /nfs/dbraw/zinc/86/14/09/1193861409.db2.gz CEMLNNRSDRFVAG-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105658368 1193861873 /nfs/dbraw/zinc/86/18/73/1193861873.db2.gz GMLVCUAGJHPVSM-MLYOOKFZSA-N 2 0 367.534 0.677 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694706 1193867402 /nfs/dbraw/zinc/86/74/02/1193867402.db2.gz WMHSNIUZNGZOJI-IRXDYDNUSA-N 3 0 369.554 0.175 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000990521844 1193872384 /nfs/dbraw/zinc/87/23/84/1193872384.db2.gz GSBUEZMJVZQALV-CEXWTWQISA-N 2 0 370.497 0.753 20 0 FCADRP Cc1cccc(OCCN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472330 1193899904 /nfs/dbraw/zinc/89/99/04/1193899904.db2.gz RQLLGXWWKPGSOA-OWYHZJEWSA-N 2 0 361.486 0.875 20 0 FCADRP CCN1CCN(C(=O)CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000552052609 1193899975 /nfs/dbraw/zinc/89/99/75/1193899975.db2.gz HGGHJXHUFCUBFL-NUJGCVRESA-N 2 0 368.522 0.401 20 0 FCADRP CCN1CCN(C(=O)CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000552052607 1193900099 /nfs/dbraw/zinc/90/00/99/1193900099.db2.gz HGGHJXHUFCUBFL-BQFCYCMXSA-N 2 0 368.522 0.401 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C(N)=O)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474599 1193908452 /nfs/dbraw/zinc/90/84/52/1193908452.db2.gz QLQYTHFCRRUXRJ-MLHJIOFPSA-N 2 0 374.485 0.177 20 0 FCADRP COCCn1nnc2c1CCN(Cc1cnc(N3CCN(C)CC3)nc1)C2 ZINC000552315156 1193923143 /nfs/dbraw/zinc/92/31/43/1193923143.db2.gz IEXDCJIDFKLGNU-UHFFFAOYSA-N 2 0 372.477 0.025 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000552747363 1193949597 /nfs/dbraw/zinc/94/95/97/1193949597.db2.gz FQMYODWFIVJIGK-HNNXBMFYSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075995104 1193954035 /nfs/dbraw/zinc/95/40/35/1193954035.db2.gz ZGVLDJJXHBLWFJ-CWRNSKLLSA-N 2 0 367.409 0.286 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000552927766 1193959066 /nfs/dbraw/zinc/95/90/66/1193959066.db2.gz DAXUGDHVFDZUNU-OAHLLOKOSA-N 2 0 366.506 0.370 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105669264 1193967410 /nfs/dbraw/zinc/96/74/10/1193967410.db2.gz QOCKYGFJOGOBLT-LTDCPUDJSA-N 2 0 368.522 0.170 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088792515 1194003403 /nfs/dbraw/zinc/00/34/03/1194003403.db2.gz RSSNUEUMCHCZDV-IKGGRYGDSA-N 2 0 363.506 0.697 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734981 1194018314 /nfs/dbraw/zinc/01/83/14/1194018314.db2.gz NRZBMFBVWXRRSP-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191465 1194086445 /nfs/dbraw/zinc/08/64/45/1194086445.db2.gz XYTKZJBIMYEIBH-PXNSSMCTSA-N 2 0 358.486 0.868 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@H]21 ZINC000842230195 1194109887 /nfs/dbraw/zinc/10/98/87/1194109887.db2.gz WMCKKQKTEVNMMV-ZWKOTPCHSA-N 2 0 358.486 0.747 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083518551 1194122694 /nfs/dbraw/zinc/12/26/94/1194122694.db2.gz DUKOTVTWUUCHKB-KSZLIROESA-N 2 0 363.506 0.102 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076046709 1194273677 /nfs/dbraw/zinc/27/36/77/1194273677.db2.gz HSKUZYIZOCTSPV-WMLDXEAASA-N 2 0 368.441 0.506 20 0 FCADRP COc1cccc(Cn2nccc2NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218734207 1224206999 /nfs/dbraw/zinc/20/69/99/1224206999.db2.gz GAIHAOKOUGQBGJ-KRWDZBQOSA-N 2 0 372.473 0.629 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001076206143 1194353500 /nfs/dbraw/zinc/35/35/00/1194353500.db2.gz ASBPCLZNSYGWSW-GVDBMIGSSA-N 2 0 358.490 0.640 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076246976 1194365991 /nfs/dbraw/zinc/36/59/91/1194365991.db2.gz SOELLXAHHDGDIS-JKSUJKDBSA-N 2 0 363.506 0.276 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076247883 1194367194 /nfs/dbraw/zinc/36/71/94/1194367194.db2.gz LBUUJTQLSXLHKC-GBESFXJTSA-N 2 0 370.497 0.826 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462143 1194506612 /nfs/dbraw/zinc/50/66/12/1194506612.db2.gz JEXQSCGOYNVUOI-OKZBNKHCSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465476 1194508964 /nfs/dbraw/zinc/50/89/64/1194508964.db2.gz HQCIBXVVDBFOOE-DLBZAZTESA-N 2 0 360.502 0.627 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001218835303 1224234871 /nfs/dbraw/zinc/23/48/71/1224234871.db2.gz CEGZLAIQXJYXFQ-WFASDCNBSA-N 2 0 374.445 0.654 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)cc2)CC1 ZINC001218845632 1224239037 /nfs/dbraw/zinc/23/90/37/1224239037.db2.gz FWUWEOOQDSPING-YLJYHZDGSA-N 2 0 357.502 0.714 20 0 FCADRP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844981 1224239558 /nfs/dbraw/zinc/23/95/58/1224239558.db2.gz RBLMLJCXXMZHJB-ZWKOTPCHSA-N 2 0 369.506 0.435 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)cc2)CC1 ZINC001218845477 1224239696 /nfs/dbraw/zinc/23/96/96/1224239696.db2.gz BFKRHAVYVLABCP-GGPKGHCWSA-N 2 0 357.502 0.984 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218904230 1224252210 /nfs/dbraw/zinc/25/22/10/1224252210.db2.gz DXRXPBQSWUSWJO-DLBZAZTESA-N 2 0 366.506 0.252 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2O)CC1 ZINC001077015348 1195143516 /nfs/dbraw/zinc/14/35/16/1195143516.db2.gz PPGAWORLEXRBNI-MKXGPGLRSA-N 2 0 365.518 0.695 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077027976 1195157163 /nfs/dbraw/zinc/15/71/63/1195157163.db2.gz UGMATKXMMDRMLL-WJFTUGDTSA-N 2 0 361.486 0.571 20 0 FCADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001218938010 1224266286 /nfs/dbraw/zinc/26/62/86/1224266286.db2.gz MSGAWMHOIJUPIW-UHFFFAOYSA-N 2 0 352.442 0.827 20 0 FCADRP CC[C@@]1(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2)CCC(=O)NC1=O ZINC001218950728 1224270957 /nfs/dbraw/zinc/27/09/57/1224270957.db2.gz XRLKKGRFPGANFE-YWZLYKJASA-N 2 0 370.453 0.519 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)cn1 ZINC001219000827 1224281340 /nfs/dbraw/zinc/28/13/40/1224281340.db2.gz CKDZUGLNBPTDIU-ZWKOTPCHSA-N 2 0 363.506 0.606 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219001376 1224282951 /nfs/dbraw/zinc/28/29/51/1224282951.db2.gz ZESXWBJDZBVXNN-YESZJQIVSA-N 2 0 366.506 0.251 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418276 1195518389 /nfs/dbraw/zinc/51/83/89/1195518389.db2.gz LVUJLMRTAHRFEP-MOXMWUHRSA-N 2 0 363.502 0.591 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155828 1195681941 /nfs/dbraw/zinc/68/19/41/1195681941.db2.gz LTNQNSZZSVMSAQ-UXHICEINSA-N 2 0 374.529 0.479 20 0 FCADRP Cn1cc(CN(CCn2ccnc2)C(=O)c2ccnn2CC[NH+](C)C)cn1 ZINC000908068055 1195722359 /nfs/dbraw/zinc/72/23/59/1195722359.db2.gz UYEOIZXSWUJBIL-UHFFFAOYSA-N 2 0 370.461 0.717 20 0 FCADRP C[C@@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)C[NH+](C)C)cn1)C[NH+](C)C ZINC000908348622 1195738970 /nfs/dbraw/zinc/73/89/70/1195738970.db2.gz XMOCYHNXEIAZLR-KBPBESRZSA-N 2 0 364.494 0.332 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)COC1(C)C ZINC001219029974 1224301391 /nfs/dbraw/zinc/30/13/91/1224301391.db2.gz XMCKKXWSSSKCDY-FZMZJTMJSA-N 2 0 362.430 0.418 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000910832426 1195851491 /nfs/dbraw/zinc/85/14/91/1195851491.db2.gz QMKWBYIQJUYZIE-IAGOWNOFSA-N 2 0 373.501 0.919 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000910833045 1195851562 /nfs/dbraw/zinc/85/15/62/1195851562.db2.gz ZHNXJILKHZIWEI-MRXNPFEDSA-N 2 0 359.474 0.673 20 0 FCADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000911013327 1195877942 /nfs/dbraw/zinc/87/79/42/1195877942.db2.gz ZQHLTOSPPFVBAJ-GVDBMIGSSA-N 2 0 366.506 0.129 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000911164931 1195901858 /nfs/dbraw/zinc/90/18/58/1195901858.db2.gz NHWCHTMMXZRAKP-UXLLHSPISA-N 2 0 362.449 0.613 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911186609 1195904823 /nfs/dbraw/zinc/90/48/23/1195904823.db2.gz NXWBIHJWIUIYOZ-KRWDZBQOSA-N 2 0 367.538 0.169 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000911244136 1195921714 /nfs/dbraw/zinc/92/17/14/1195921714.db2.gz IVNNMSUIFOQXCE-UHFFFAOYSA-N 2 0 360.502 0.964 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)cc1 ZINC000911358568 1195941260 /nfs/dbraw/zinc/94/12/60/1195941260.db2.gz OXBBQQWVTKTSAH-ROUUACIJSA-N 2 0 358.486 0.883 20 0 FCADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055020 1224323320 /nfs/dbraw/zinc/32/33/20/1224323320.db2.gz SANHGJNKAABMAK-IXDOHACOSA-N 2 0 366.506 0.248 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055021 1224325153 /nfs/dbraw/zinc/32/51/53/1224325153.db2.gz SANHGJNKAABMAK-YESZJQIVSA-N 2 0 366.506 0.248 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001219116110 1224360392 /nfs/dbraw/zinc/36/03/92/1224360392.db2.gz KMBNTJBQWVKMOG-GOSISDBHSA-N 3 0 373.501 0.488 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000594102375 1196691321 /nfs/dbraw/zinc/69/13/21/1196691321.db2.gz MYGMTYPCAWWQPP-ZACQAIPSSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)CC1 ZINC001088953058 1196846942 /nfs/dbraw/zinc/84/69/42/1196846942.db2.gz YRAINFDUPHVCDV-WBVHZDCISA-N 2 0 365.522 0.711 20 0 FCADRP COC(=O)c1cnc2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc2c1 ZINC001219182579 1224379166 /nfs/dbraw/zinc/37/91/66/1224379166.db2.gz TYYIKNBOHBDOTI-MRXNPFEDSA-N 2 0 371.441 0.710 20 0 FCADRP O=C(NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000992240709 1197030275 /nfs/dbraw/zinc/03/02/75/1197030275.db2.gz NQFUZZNHQGOSHH-NEXFUWMNSA-N 2 0 357.458 0.620 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCCCC2)CC[N@@H+]1C ZINC001272424936 1197072795 /nfs/dbraw/zinc/07/27/95/1197072795.db2.gz DYNBHJKQWJKZAS-HYVNUMGLSA-N 2 0 368.522 0.232 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696056 1197101689 /nfs/dbraw/zinc/10/16/89/1197101689.db2.gz HDCLSGKWFFQEKJ-KURKYZTESA-N 2 0 367.534 0.963 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148475 1197309056 /nfs/dbraw/zinc/30/90/56/1197309056.db2.gz QWNRJDSBVOMLIA-QBPKDAKJSA-N 2 0 368.522 0.163 20 0 FCADRP COc1cc2nc[nH]c(=O)c2cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219264160 1224407804 /nfs/dbraw/zinc/40/78/04/1224407804.db2.gz SRLYGKMRGOEECJ-GFCCVEGCSA-N 2 0 360.418 0.033 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288112 1224415062 /nfs/dbraw/zinc/41/50/62/1224415062.db2.gz IXFPSYGTUPHJGH-HNNXBMFYSA-N 2 0 360.437 0.995 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)[NH+](C)C ZINC000992947708 1197627776 /nfs/dbraw/zinc/62/77/76/1197627776.db2.gz LYOQIVGFBHFSKI-XKGZKEIXSA-N 2 0 364.534 0.975 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719768 1197653538 /nfs/dbraw/zinc/65/35/38/1197653538.db2.gz UXGDKIWNCNYLBK-NXHRZFHOSA-N 2 0 363.506 0.246 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085217691 1197692256 /nfs/dbraw/zinc/69/22/56/1197692256.db2.gz MDPZMQGECJWBRZ-KFWWJZLASA-N 2 0 364.494 0.500 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049973 1197741584 /nfs/dbraw/zinc/74/15/84/1197741584.db2.gz ZPGCTPLRABZILU-TWOQFEAHSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743705 /nfs/dbraw/zinc/74/37/05/1197743705.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 2 0 365.522 0.317 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001085260478 1197761400 /nfs/dbraw/zinc/76/14/00/1197761400.db2.gz OYNQSPULIKZOLP-OAGGEKHMSA-N 2 0 369.425 0.770 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106247442 1197779112 /nfs/dbraw/zinc/77/91/12/1197779112.db2.gz ZMEAKUIJXRGQJY-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255564 1197792279 /nfs/dbraw/zinc/79/22/79/1197792279.db2.gz XVXVIRKYBHODFZ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083726912 1197829144 /nfs/dbraw/zinc/82/91/44/1197829144.db2.gz ABKVRBJJJFNIQV-OWLYRPNTSA-N 2 0 363.506 0.337 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106308867 1197861069 /nfs/dbraw/zinc/86/10/69/1197861069.db2.gz FMBAQBLNVZXVNS-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106322349 1197864991 /nfs/dbraw/zinc/86/49/91/1197864991.db2.gz MABFPWXYUVBYOB-OAGGEKHMSA-N 2 0 364.490 0.304 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106336695 1197868405 /nfs/dbraw/zinc/86/84/05/1197868405.db2.gz ZXSNWQVRXITKBY-ZACQAIPSSA-N 2 0 365.522 0.658 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106339247 1197869887 /nfs/dbraw/zinc/86/98/87/1197869887.db2.gz BOVDHBLPHSCQGA-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C)C(N)=O ZINC001106347179 1197870910 /nfs/dbraw/zinc/87/09/10/1197870910.db2.gz NYVVFITYFXLSCW-INMHGKMJSA-N 2 0 361.490 0.856 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)CC1 ZINC001273334298 1197914195 /nfs/dbraw/zinc/91/41/95/1197914195.db2.gz WNCQYJCRWVLDSM-IRXDYDNUSA-N 2 0 362.518 0.777 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600227 1198029585 /nfs/dbraw/zinc/02/95/85/1198029585.db2.gz UQWSIGBGAHYFSU-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597573 1198030464 /nfs/dbraw/zinc/03/04/64/1198030464.db2.gz AQVILUDLFOETKV-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP O=C1[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCN1C1CCOCC1 ZINC000409449952 1224459172 /nfs/dbraw/zinc/45/91/72/1224459172.db2.gz BWUCRDJQRZODEN-GOSISDBHSA-N 2 0 351.491 0.811 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@H+](CCO)C[C@@H]3CCOC3)CC2)O1 ZINC001098404234 1198129267 /nfs/dbraw/zinc/12/92/67/1198129267.db2.gz JBDFNPYXPHKZCK-SOLBZPMBSA-N 2 0 369.506 0.027 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403457 1198207190 /nfs/dbraw/zinc/20/71/90/1198207190.db2.gz HYSJFFVKCAXCJJ-BEFAXECRSA-N 2 0 366.506 0.251 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006288350 1198248647 /nfs/dbraw/zinc/24/86/47/1198248647.db2.gz MTNLWONLHIYSEZ-HZMVEIRTSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001006289692 1198258795 /nfs/dbraw/zinc/25/87/95/1198258795.db2.gz SAJDKNQUJGYXNU-DDBAPUKQSA-N 2 0 362.518 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC[N@@H+]1C ZINC001086371047 1198332628 /nfs/dbraw/zinc/33/26/28/1198332628.db2.gz NJHLKLWBYKVMMB-QUSNUVHPSA-N 2 0 360.506 0.980 20 0 FCADRP CC1(C)Cc2c(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cccc2NC1=O ZINC001219530688 1224499422 /nfs/dbraw/zinc/49/94/22/1224499422.db2.gz XIEWMVBXUJDFTE-CQSZACIVSA-N 2 0 359.474 0.896 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219542482 1224503421 /nfs/dbraw/zinc/50/34/21/1224503421.db2.gz SFEQPAWLQXVYLK-WBMJQRKESA-N 2 0 366.425 0.586 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219537345 1224503134 /nfs/dbraw/zinc/50/31/34/1224503134.db2.gz LIJPSKTUONETKF-VWNJHIHFSA-N 2 0 370.453 0.816 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086484584 1198959163 /nfs/dbraw/zinc/95/91/63/1198959163.db2.gz FGISWVHQSCQWQN-RXABAKJHSA-N 2 0 370.497 0.705 20 0 FCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001169170483 1199053450 /nfs/dbraw/zinc/05/34/50/1199053450.db2.gz VZHNJGGRVPWGHZ-ZIAGYGMSSA-N 2 0 362.478 0.416 20 0 FCADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398450 1199064924 /nfs/dbraw/zinc/06/49/24/1199064924.db2.gz RKFZKHMROFXNJT-XMTFNYHQSA-N 2 0 370.490 0.766 20 0 FCADRP CC(=O)N1CCC[C@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)C1 ZINC001169605104 1199080270 /nfs/dbraw/zinc/08/02/70/1199080270.db2.gz IYTCQAUCHWWELP-SFHVURJKSA-N 2 0 360.502 0.821 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723123 1224576028 /nfs/dbraw/zinc/57/60/28/1224576028.db2.gz JDALPUYNAUTVMM-MOPGFXCFSA-N 4 0 373.545 0.671 20 0 FCADRP C[C@@H](O)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723401 1224576881 /nfs/dbraw/zinc/57/68/81/1224576881.db2.gz LUYUUFFUBBBRGH-NJAFHUGGSA-N 3 0 360.502 0.313 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001219723390 1224577417 /nfs/dbraw/zinc/57/74/17/1224577417.db2.gz LREVWLSCOIEQAZ-OALUTQOASA-N 3 0 372.513 0.593 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725480 1224578212 /nfs/dbraw/zinc/57/82/12/1224578212.db2.gz FIIKVIJMNIPWBO-OTWHNJEPSA-N 3 0 371.529 0.294 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736701 1224584820 /nfs/dbraw/zinc/58/48/20/1224584820.db2.gz FQVYLMTYNRDFIR-GDBMZVCRSA-N 2 0 356.426 0.044 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)N2CCC[NH2+]CC2)cc1 ZINC001219737461 1224586140 /nfs/dbraw/zinc/58/61/40/1224586140.db2.gz WOFZCSJWUUHARM-MOPGFXCFSA-N 2 0 372.513 0.826 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219739565 1224587692 /nfs/dbraw/zinc/58/76/92/1224587692.db2.gz RJTNGVZXSMSMGS-RIFZZMRRSA-N 2 0 356.470 0.207 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001219750052 1224594443 /nfs/dbraw/zinc/59/44/43/1224594443.db2.gz VUQXFZSJDROLSX-HNNXBMFYSA-N 2 0 358.446 0.356 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC21CC[NH2+]CC1 ZINC001219757810 1224597177 /nfs/dbraw/zinc/59/71/77/1224597177.db2.gz VGRYYFBOFLXVFO-RRQGHBQHSA-N 2 0 374.485 0.002 20 0 FCADRP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538882 1200371709 /nfs/dbraw/zinc/37/17/09/1200371709.db2.gz XPDOFFXUHTWYSH-OWEAFNKSSA-N 2 0 363.502 0.998 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001109650174 1200442164 /nfs/dbraw/zinc/44/21/64/1200442164.db2.gz WVPDKEPJPUHUDE-NCOADZHNSA-N 2 0 362.518 0.966 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688550 1200464027 /nfs/dbraw/zinc/46/40/27/1200464027.db2.gz VHZNGDWYOQFHJK-VSZNYVQBSA-N 2 0 368.522 0.447 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787935 1224613516 /nfs/dbraw/zinc/61/35/16/1224613516.db2.gz NMFUBCWEUGFVQW-UXLLHSPISA-N 2 0 363.506 0.592 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719019 1200484360 /nfs/dbraw/zinc/48/43/60/1200484360.db2.gz RGPDZPYKUPDZQR-BGTYHANMSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109733240 1200494275 /nfs/dbraw/zinc/49/42/75/1200494275.db2.gz JXBGWQSELSQCPT-NRKLIOEPSA-N 2 0 366.506 0.031 20 0 FCADRP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001109735662 1200494795 /nfs/dbraw/zinc/49/47/95/1200494795.db2.gz RCIHAPCPZIGHBX-BDXSIMOUSA-N 2 0 369.506 0.218 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)CC1 ZINC001109902583 1200602446 /nfs/dbraw/zinc/60/24/46/1200602446.db2.gz RBUZHUZUIAQNLZ-PVAVHDDUSA-N 2 0 362.478 0.110 20 0 FCADRP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803564 1224622770 /nfs/dbraw/zinc/62/27/70/1224622770.db2.gz XIQNCFQSYPFRTL-WBVHZDCISA-N 2 0 354.454 0.989 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802729 1224623254 /nfs/dbraw/zinc/62/32/54/1224623254.db2.gz BCDGOSHUTRAFBP-NVXWUHKLSA-N 2 0 354.454 0.989 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001109982518 1200675231 /nfs/dbraw/zinc/67/52/31/1200675231.db2.gz GUQJRJLZMASWPA-OWSLCNJRSA-N 2 0 363.502 0.999 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NCc1noc2c1C[NH2+]CC2 ZINC001219809668 1224628099 /nfs/dbraw/zinc/62/80/99/1224628099.db2.gz PTGZEMOPJHOUIU-MRXNPFEDSA-N 2 0 369.469 0.801 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)cn1 ZINC001112563704 1200793724 /nfs/dbraw/zinc/79/37/24/1200793724.db2.gz JQZRYCKZRXKJRX-HKUYNNGSSA-N 2 0 363.506 0.717 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563693 1200793927 /nfs/dbraw/zinc/79/39/27/1200793927.db2.gz JBKRXWSZHZPLJC-YJBOKZPZSA-N 2 0 364.494 0.112 20 0 FCADRP Cn1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)n1 ZINC001112563607 1200797356 /nfs/dbraw/zinc/79/73/56/1200797356.db2.gz DYFKULRMMTYPHO-LPHOPBHVSA-N 2 0 363.506 0.717 20 0 FCADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838348 1224647641 /nfs/dbraw/zinc/64/76/41/1224647641.db2.gz PHJQGXAURLBADX-AYBZRNKSSA-N 2 0 363.458 0.076 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cccc(N2CC[NH2+]CC2)c1 ZINC001219843728 1224650551 /nfs/dbraw/zinc/65/05/51/1224650551.db2.gz BQIPACIUATZILF-OXQOHEQNSA-N 2 0 374.485 0.221 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848315 1224653089 /nfs/dbraw/zinc/65/30/89/1224653089.db2.gz WWALZWOFIFZEGV-MUQADHOPSA-N 2 0 361.442 0.473 20 0 FCADRP [NH3+][C@H]1CCN([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2cc3ccccc3o2)C1 ZINC001219856734 1224656188 /nfs/dbraw/zinc/65/61/88/1224656188.db2.gz YXROSTRVPWBTQK-XMMKGJGBSA-N 2 0 370.453 0.610 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cccc(=NN3C(=O)CCC3=O)[nH]2)O1 ZINC001170276282 1201204706 /nfs/dbraw/zinc/20/47/06/1201204706.db2.gz BUFFMAGXCSAYRB-PSTGCABASA-N 2 0 363.418 0.694 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)O1 ZINC001170280213 1201206228 /nfs/dbraw/zinc/20/62/28/1201206228.db2.gz VRJAIRFMOSNWHZ-KDQZPGIASA-N 2 0 360.462 0.943 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000793703184 1201258921 /nfs/dbraw/zinc/25/89/21/1201258921.db2.gz WXVCMOBYUWJDSR-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703549 1201258965 /nfs/dbraw/zinc/25/89/65/1201258965.db2.gz XUKDNFVZQQRVCN-ZACQAIPSSA-N 2 0 368.522 0.593 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686060 1201370640 /nfs/dbraw/zinc/37/06/40/1201370640.db2.gz VYBLUYLMIHOXMJ-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129850207 1201404865 /nfs/dbraw/zinc/40/48/65/1201404865.db2.gz RYJLYRMPNNDUIU-KSZLIROESA-N 2 0 358.490 0.928 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129857652 1201406270 /nfs/dbraw/zinc/40/62/70/1201406270.db2.gz BHXDMHIFTOBZOY-HZMVEIRTSA-N 2 0 364.494 0.386 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129878991 1201411538 /nfs/dbraw/zinc/41/15/38/1201411538.db2.gz MXYIZBQZPVJENO-OAGGEKHMSA-N 2 0 370.473 0.336 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910215 1201422315 /nfs/dbraw/zinc/42/23/15/1201422315.db2.gz IOMNCKSNEMNCKJ-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910483 1201423295 /nfs/dbraw/zinc/42/32/95/1201423295.db2.gz VIHIELJNZRLQNB-IKGGRYGDSA-N 2 0 364.494 0.531 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894772 1201428332 /nfs/dbraw/zinc/42/83/32/1201428332.db2.gz RXKKIPNUCLSKMB-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129924880 1201444074 /nfs/dbraw/zinc/44/40/74/1201444074.db2.gz LQYFZWGOVDNRHY-CVEARBPZSA-N 2 0 357.393 0.941 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001219899354 1224673938 /nfs/dbraw/zinc/67/39/38/1224673938.db2.gz VDANHTXFIPFRIB-CVEARBPZSA-N 2 0 364.490 0.185 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129985163 1201461236 /nfs/dbraw/zinc/46/12/36/1201461236.db2.gz QMCBCVMRPODVHJ-SJORKVTESA-N 2 0 357.462 0.557 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001129986723 1201468272 /nfs/dbraw/zinc/46/82/72/1201468272.db2.gz JSEJWPHARYRNMP-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129992286 1201471191 /nfs/dbraw/zinc/47/11/91/1201471191.db2.gz WMLMTDDTJRSYJC-MSOLQXFVSA-N 2 0 356.474 0.814 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006187 1201476190 /nfs/dbraw/zinc/47/61/90/1201476190.db2.gz WZWYTPFRDJTUAS-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130034601 1201481976 /nfs/dbraw/zinc/48/19/76/1201481976.db2.gz UEDFGXOGJAWEES-BMFZPTHFSA-N 2 0 361.450 0.258 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054854 1201484080 /nfs/dbraw/zinc/48/40/80/1201484080.db2.gz TYYKKDGNKIAKDA-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130043811 1201485347 /nfs/dbraw/zinc/48/53/47/1201485347.db2.gz BASSULQZWLEQKH-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130081507 1201492756 /nfs/dbraw/zinc/49/27/56/1201492756.db2.gz RWEKVAYAAWFYTO-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085979 1201493994 /nfs/dbraw/zinc/49/39/94/1201493994.db2.gz GMNJLYOOVVNHBY-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130074598 1201494895 /nfs/dbraw/zinc/49/48/95/1201494895.db2.gz BSMKLJKOUIJYDZ-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137310 1201515173 /nfs/dbraw/zinc/51/51/73/1201515173.db2.gz SGAQWHLZOAGYCV-SJORKVTESA-N 2 0 364.494 0.532 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137343 1201515354 /nfs/dbraw/zinc/51/53/54/1201515354.db2.gz UPIWBZWNLJGQBG-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001130233113 1201558571 /nfs/dbraw/zinc/55/85/71/1201558571.db2.gz YMYQWEUJBSCJHC-KBPBESRZSA-N 2 0 364.494 0.635 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001130238038 1201560859 /nfs/dbraw/zinc/56/08/59/1201560859.db2.gz QAQIGNDWXARQJN-ILXRZTDVSA-N 2 0 364.494 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130307443 1201582457 /nfs/dbraw/zinc/58/24/57/1201582457.db2.gz QACUPMCTXGMPIR-APWZRJJASA-N 2 0 368.522 0.186 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130307671 1201582622 /nfs/dbraw/zinc/58/26/22/1201582622.db2.gz YAXWOSRJEJFJKY-OGWOLHLISA-N 2 0 368.522 0.183 20 0 FCADRP COC(=O)C1(NC(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001219999203 1224723019 /nfs/dbraw/zinc/72/30/19/1224723019.db2.gz NBYAYXRDBQWRJX-HNNXBMFYSA-N 2 0 364.446 0.027 20 0 FCADRP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033789 1224732849 /nfs/dbraw/zinc/73/28/49/1224732849.db2.gz IVWKFBGNOAHGDT-FYHDCADNSA-N 2 0 363.502 0.757 20 0 FCADRP CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033473 1224733151 /nfs/dbraw/zinc/73/31/51/1224733151.db2.gz CZBCCVNERCPXIO-FWFFWDSWSA-N 2 0 365.518 0.837 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061494 1224741290 /nfs/dbraw/zinc/74/12/90/1224741290.db2.gz QGTRBGIQZADWRR-MOPGFXCFSA-N 2 0 363.502 0.992 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590584 1202725789 /nfs/dbraw/zinc/72/57/89/1202725789.db2.gz XSUZGCULYICEDF-JQHSSLGASA-N 2 0 363.506 0.823 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130604998 1202733270 /nfs/dbraw/zinc/73/32/70/1202733270.db2.gz UHTWTUWWNMRENE-CGTJXYLNSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2[NH2+]CCCO)c1 ZINC001130622224 1202734087 /nfs/dbraw/zinc/73/40/87/1202734087.db2.gz YCTLRBJLQVRUFV-FUHWJXTLSA-N 2 0 368.441 0.648 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCCO)c1 ZINC001130672097 1202751657 /nfs/dbraw/zinc/75/16/57/1202751657.db2.gz GQTPXGCGPCOETG-DOTOQJQBSA-N 2 0 365.522 0.664 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672563 1202752502 /nfs/dbraw/zinc/75/25/02/1202752502.db2.gz SYXUBMQSFXGFQE-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130695275 1202757403 /nfs/dbraw/zinc/75/74/03/1202757403.db2.gz KVUYHCIQTQWJGJ-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130719666 1202766299 /nfs/dbraw/zinc/76/62/99/1202766299.db2.gz YNBFPWDNZQWQAW-XYJFISCASA-N 2 0 365.522 0.807 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2[NH2+]CCCO)c1 ZINC001130721404 1202766415 /nfs/dbraw/zinc/76/64/15/1202766415.db2.gz GCCYVJHLTJCKAR-WDYCEAGBSA-N 2 0 361.490 0.172 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726169 1202767275 /nfs/dbraw/zinc/76/72/75/1202767275.db2.gz NYMKMRNNXVERNP-XYJFISCASA-N 2 0 363.506 0.681 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731794 1202772014 /nfs/dbraw/zinc/77/20/14/1202772014.db2.gz POECYYDIHSKKFR-XYJFISCASA-N 2 0 363.506 0.561 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074022 1224746203 /nfs/dbraw/zinc/74/62/03/1224746203.db2.gz UHAYRDXGLVKRHA-MSOLQXFVSA-N 2 0 371.522 0.465 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010115 1202844287 /nfs/dbraw/zinc/84/42/87/1202844287.db2.gz ARMZXIYGCRYZRO-BZUAXINKSA-N 2 0 363.506 0.823 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000807777888 1202851037 /nfs/dbraw/zinc/85/10/37/1202851037.db2.gz VJKDTNYBDDEIAF-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061567 1202853780 /nfs/dbraw/zinc/85/37/80/1202853780.db2.gz GIVQUIHGBGTTTN-HZPDHXFCSA-N 2 0 360.462 0.752 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131072325 1202857120 /nfs/dbraw/zinc/85/71/20/1202857120.db2.gz SRWLMSNFBBNGEA-GVDBMIGSSA-N 2 0 363.506 0.825 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108073 1202864168 /nfs/dbraw/zinc/86/41/68/1202864168.db2.gz IJWGLXJCKISWFU-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCO ZINC001131128218 1202868265 /nfs/dbraw/zinc/86/82/65/1202868265.db2.gz XEPFMDOGQPOHLZ-IAGOWNOFSA-N 2 0 363.506 0.563 20 0 FCADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1)[NH+](C)C ZINC001131519347 1202908341 /nfs/dbraw/zinc/90/83/41/1202908341.db2.gz LXIZPYYAZUWAAZ-MLHJIOFPSA-N 2 0 371.522 0.320 20 0 FCADRP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C12CCC[NH+]1CCC2 ZINC001131526555 1202911475 /nfs/dbraw/zinc/91/14/75/1202911475.db2.gz ZETYNGPBXDZKSA-MSOLQXFVSA-N 2 0 365.518 0.983 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131538624 1202912784 /nfs/dbraw/zinc/91/27/84/1202912784.db2.gz QELDOWUDVMSBJN-MLHJIOFPSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cncn2)CC1 ZINC001131564921 1202914822 /nfs/dbraw/zinc/91/48/22/1202914822.db2.gz XSSRJUXHIHRBDO-AEFFLSMTSA-N 2 0 364.494 0.216 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131588162 1202916512 /nfs/dbraw/zinc/91/65/12/1202916512.db2.gz UXRSPQHXUQZSTR-LESCRADOSA-N 2 0 368.522 0.448 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131588161 1202916648 /nfs/dbraw/zinc/91/66/48/1202916648.db2.gz UXRSPQHXUQZSTR-KYJSFNMBSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1)C(N)=O ZINC001131597011 1202919809 /nfs/dbraw/zinc/91/98/09/1202919809.db2.gz GKCBBWGGXBBXDL-KYJSFNMBSA-N 2 0 368.522 0.578 20 0 FCADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126398 1203015712 /nfs/dbraw/zinc/01/57/12/1203015712.db2.gz OSTAAKAFSYXYQO-MSOLQXFVSA-N 2 0 356.474 0.849 20 0 FCADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126350 1203015747 /nfs/dbraw/zinc/01/57/47/1203015747.db2.gz MFDLBMPENKTLFO-MSOLQXFVSA-N 2 0 360.502 0.954 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC001086785402 1203091013 /nfs/dbraw/zinc/09/10/13/1203091013.db2.gz XVZJVHZLHZJYEQ-JZXOWHBKSA-N 2 0 363.506 0.904 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086785156 1203092358 /nfs/dbraw/zinc/09/23/58/1203092358.db2.gz MABAAIMZCAFDDV-BBWFWOEESA-N 2 0 364.494 0.262 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001086785228 1203092373 /nfs/dbraw/zinc/09/23/73/1203092373.db2.gz OWDLYJRJWLIMFE-RCCFBDPRSA-N 2 0 363.506 0.867 20 0 FCADRP CC(=O)NCCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861283 1203100359 /nfs/dbraw/zinc/10/03/59/1203100359.db2.gz BCTYGOAMLLDQMH-JFIYKMOQSA-N 2 0 370.538 0.744 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000817926910 1203124834 /nfs/dbraw/zinc/12/48/34/1203124834.db2.gz WJHFLEIDRDTXBU-GOSISDBHSA-N 2 0 360.502 0.687 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000817953433 1203127993 /nfs/dbraw/zinc/12/79/93/1203127993.db2.gz ONIYPFIPORVTNG-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@@H]1Cc1ccccc1 ZINC000817993311 1203132166 /nfs/dbraw/zinc/13/21/66/1203132166.db2.gz FGNHFZNEEKEVDP-RXVVDRJESA-N 2 0 370.497 0.726 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899871 1203137173 /nfs/dbraw/zinc/13/71/73/1203137173.db2.gz YPJVHMPYEQIYGT-HIFRSBDPSA-N 3 0 367.494 0.623 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC001170901032 1203137845 /nfs/dbraw/zinc/13/78/45/1203137845.db2.gz UGWWNZKNNJYSFT-SFHVURJKSA-N 2 0 369.462 0.943 20 0 FCADRP CCN(C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C)C2)C1CC1 ZINC001110104160 1203213107 /nfs/dbraw/zinc/21/31/07/1203213107.db2.gz IMBPRUMDSWKAMY-IKGGRYGDSA-N 2 0 359.474 0.924 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001110104400 1203215820 /nfs/dbraw/zinc/21/58/20/1203215820.db2.gz TWBZUYLSFRFNHZ-BDXSIMOUSA-N 2 0 361.490 0.573 20 0 FCADRP CCn1nc(C)c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000824713773 1203302461 /nfs/dbraw/zinc/30/24/61/1203302461.db2.gz VVQQBLYHPQOXSH-INIZCTEOSA-N 2 0 363.510 0.916 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844178221 1203338341 /nfs/dbraw/zinc/33/83/41/1203338341.db2.gz MHGOTUMEETWUOX-QGZVFWFLSA-N 2 0 362.474 0.363 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)CO[C@@H]3CCC[NH2+]C3)ccc2oc1=O ZINC000844179720 1203338395 /nfs/dbraw/zinc/33/83/95/1203338395.db2.gz XGQDCWFEWWBOCN-CQSZACIVSA-N 2 0 362.430 0.863 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158875 1224791577 /nfs/dbraw/zinc/79/15/77/1224791577.db2.gz JGMZYSGCUSDIKK-ZRGWGRIASA-N 2 0 374.489 0.352 20 0 FCADRP COc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ccc1OC1COC1 ZINC001220191856 1224799053 /nfs/dbraw/zinc/79/90/53/1224799053.db2.gz RCHCKLJRGRHEOO-AUUYWEPGSA-N 2 0 361.442 0.288 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220238423 1224813215 /nfs/dbraw/zinc/81/32/15/1224813215.db2.gz VXMRQXMFHADLPI-MOPGFXCFSA-N 2 0 361.486 0.762 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001220263329 1224816765 /nfs/dbraw/zinc/81/67/65/1224816765.db2.gz GOSWKQMZWQVRTG-KRWDZBQOSA-N 2 0 365.522 0.034 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220273295 1224819021 /nfs/dbraw/zinc/81/90/21/1224819021.db2.gz GTSYHVCKEUURFW-MSOLQXFVSA-N 2 0 357.458 0.485 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220289696 1224821508 /nfs/dbraw/zinc/82/15/08/1224821508.db2.gz ARBJLUOBGXPMCR-CEXWTWQISA-N 2 0 363.502 0.985 20 0 FCADRP O=C(CN1CC[C@]2(CCC[NH2+]2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000844225944 1204379243 /nfs/dbraw/zinc/37/92/43/1204379243.db2.gz JBLQVAJFVIKYRO-LJQANCHMSA-N 2 0 364.534 0.966 20 0 FCADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCN(c2ncccn2)CC1 ZINC000844222742 1204379341 /nfs/dbraw/zinc/37/93/41/1204379341.db2.gz KPYXCOXEKHOYSC-UHFFFAOYSA-N 2 0 358.490 0.591 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311770 1224826208 /nfs/dbraw/zinc/82/62/08/1224826208.db2.gz QWESVMKVHRFFHM-GOSISDBHSA-N 2 0 370.501 0.888 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)c2ccco2)CC1 ZINC001220312144 1224826305 /nfs/dbraw/zinc/82/63/05/1224826305.db2.gz YGDJCWHWRMPGBK-SFHVURJKSA-N 2 0 372.473 0.750 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315373 1224827378 /nfs/dbraw/zinc/82/73/78/1224827378.db2.gz BYYPEPMQIVXQDR-JTDSTZFVSA-N 2 0 361.442 0.475 20 0 FCADRP CN(CC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1)C(N)=[NH2+] ZINC001144132503 1204423014 /nfs/dbraw/zinc/42/30/14/1204423014.db2.gz UPXWWFQUDDPWHD-UHFFFAOYSA-N 2 0 372.477 0.043 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483057 1204524008 /nfs/dbraw/zinc/52/40/08/1204524008.db2.gz JUOXZKONYZBFNV-LSDHHAIUSA-N 2 0 371.526 0.193 20 0 FCADRP CC(C)(O)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354214 1224839820 /nfs/dbraw/zinc/83/98/20/1224839820.db2.gz OXLAGCJZXCPTHJ-ARFHVFGLSA-N 2 0 363.458 0.660 20 0 FCADRP O=C(CN1CC[NH2+]CC1)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353242 1224840004 /nfs/dbraw/zinc/84/00/04/1224840004.db2.gz HQNWBCMWVBRZNM-ROUUACIJSA-N 2 0 374.485 0.467 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354658 1224840091 /nfs/dbraw/zinc/84/00/91/1224840091.db2.gz VSTOWZHHHZLLGT-PDOICOKGSA-N 2 0 373.453 0.693 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358019 1224841940 /nfs/dbraw/zinc/84/19/40/1224841940.db2.gz OGWKIQBPONOHOE-QZWWFDLISA-N 2 0 360.458 0.109 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357686 1224842565 /nfs/dbraw/zinc/84/25/65/1224842565.db2.gz PHUZLLCNVPZTEL-MOPGFXCFSA-N 2 0 363.502 0.992 20 0 FCADRP c1ccc(N2CC[NH2+]CC2)c(CNc2nccnc2N2CC[NH2+]CC2)c1 ZINC001171282321 1204735104 /nfs/dbraw/zinc/73/51/04/1204735104.db2.gz IZHACHLPZWAYGM-UHFFFAOYSA-N 2 0 353.474 0.908 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091676994 1204817554 /nfs/dbraw/zinc/81/75/54/1204817554.db2.gz HSPWDBSXWUNRAH-MDYRTPRTSA-N 2 0 360.502 0.387 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673113 1204818991 /nfs/dbraw/zinc/81/89/91/1204818991.db2.gz ZMECAVJAFDFNSW-GUXCAODWSA-N 2 0 362.518 0.920 20 0 FCADRP CN(C(=O)OC(C)(C)C)c1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n(C)n1 ZINC001148089678 1204819778 /nfs/dbraw/zinc/81/97/78/1204819778.db2.gz ZRJIVYDIXKUKRE-UHFFFAOYSA-N 2 0 367.454 0.866 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091683143 1204821392 /nfs/dbraw/zinc/82/13/92/1204821392.db2.gz HDPOMNGMQNRQJE-NNFUDEMPSA-N 2 0 363.506 0.132 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735057 1204836221 /nfs/dbraw/zinc/83/62/21/1204836221.db2.gz HDBFWUUFQXOLDG-APWZRJJASA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091741078 1204838549 /nfs/dbraw/zinc/83/85/49/1204838549.db2.gz YQHKGMYUJCPAJC-UZLBHIALSA-N 2 0 362.518 0.873 20 0 FCADRP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086875567 1204858543 /nfs/dbraw/zinc/85/85/43/1204858543.db2.gz XLIXJGHQBYBQBV-HRCADAONSA-N 2 0 363.510 0.799 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996706 1204887345 /nfs/dbraw/zinc/88/73/45/1204887345.db2.gz QYEWFJDYQUNQLC-HYVNUMGLSA-N 2 0 363.506 0.417 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059709 1204943820 /nfs/dbraw/zinc/94/38/20/1204943820.db2.gz RNMYTEJWDMVMNZ-DJIMGWMZSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087059410 1204944236 /nfs/dbraw/zinc/94/42/36/1204944236.db2.gz DGEXKIQFLDGCFU-GDBMZVCRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087061200 1204948332 /nfs/dbraw/zinc/94/83/32/1204948332.db2.gz UHNAEEHSLHYKIX-OIISXLGYSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087063193 1204950417 /nfs/dbraw/zinc/95/04/17/1204950417.db2.gz MFOHVIDVAIEESN-OWCLPIDISA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083931 1204972244 /nfs/dbraw/zinc/97/22/44/1204972244.db2.gz YLEZRVMHJPBRLV-BZUAXINKSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087079842 1204991317 /nfs/dbraw/zinc/99/13/17/1204991317.db2.gz JFIFAGPEPAVKFH-HZPDHXFCSA-N 2 0 364.494 0.408 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087079550 1204991398 /nfs/dbraw/zinc/99/13/98/1204991398.db2.gz VATZVGYADCGREW-IXDOHACOSA-N 2 0 366.506 0.012 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087080944 1204993380 /nfs/dbraw/zinc/99/33/80/1204993380.db2.gz NIBICNHSKJPIET-DJIMGWMZSA-N 2 0 366.510 0.354 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087096436 1205003880 /nfs/dbraw/zinc/00/38/80/1205003880.db2.gz MXBOBPAKAPYOPF-BZUAXINKSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087096614 1205004795 /nfs/dbraw/zinc/00/47/95/1205004795.db2.gz VBSHTIRZIINGBW-ARFHVFGLSA-N 2 0 364.494 0.408 20 0 FCADRP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091823432 1205043716 /nfs/dbraw/zinc/04/37/16/1205043716.db2.gz CITUBCQSMSQWNV-UZLBHIALSA-N 2 0 367.453 0.961 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CC1 ZINC001091975067 1205105481 /nfs/dbraw/zinc/10/54/81/1205105481.db2.gz FQVXNJIKSCPATE-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001092203158 1205197460 /nfs/dbraw/zinc/19/74/60/1205197460.db2.gz GFHMHWFRRABWGW-APWZRJJASA-N 2 0 360.502 0.485 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001092275384 1205222759 /nfs/dbraw/zinc/22/27/59/1205222759.db2.gz ZVYCWWAJECOOCX-UWVAXJGDSA-N 2 0 362.518 0.872 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301357 1205234120 /nfs/dbraw/zinc/23/41/20/1205234120.db2.gz FKMXKHUCBMPUGS-SYNHAJSKSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)C[NH2+]CCC[NH3+])OC(C)(C)O1 ZINC001220467203 1224882114 /nfs/dbraw/zinc/88/21/14/1224882114.db2.gz PRRHCTPRCQPTTN-KGLIPLIRSA-N 2 0 373.494 0.683 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220478649 1224885631 /nfs/dbraw/zinc/88/56/31/1224885631.db2.gz GGNJEHWOUNRTLZ-KSZLIROESA-N 2 0 369.506 0.075 20 0 FCADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]C[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC001220499719 1224892986 /nfs/dbraw/zinc/89/29/86/1224892986.db2.gz BQNFBJYGXWHBRJ-QINHECLXSA-N 2 0 350.422 0.912 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220491759 1224890659 /nfs/dbraw/zinc/89/06/59/1224890659.db2.gz CUKZNTZAZHLFOB-OKYOBFRVSA-N 2 0 370.497 0.629 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517183 1224900653 /nfs/dbraw/zinc/90/06/53/1224900653.db2.gz ZWJBVPNSHLWXAF-SJORKVTESA-N 2 0 367.494 0.035 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCOCc2ccccc2)CC[NH2+]C1 ZINC001220521897 1224904336 /nfs/dbraw/zinc/90/43/36/1224904336.db2.gz SLJXMHZLHNYXBX-INIZCTEOSA-N 2 0 361.442 0.847 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931211 1205961814 /nfs/dbraw/zinc/96/18/14/1205961814.db2.gz HGYNDUOZHJWXNL-CRAIPNDOSA-N 2 0 360.502 0.911 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093121220 1206026842 /nfs/dbraw/zinc/02/68/42/1206026842.db2.gz ZPZWOWHGHVJNPX-IIDMSEBBSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093931336 1206151994 /nfs/dbraw/zinc/15/19/94/1206151994.db2.gz PALRFHMQDVKIDR-RMEMFKQDSA-N 2 0 371.485 0.524 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093894766 1206152625 /nfs/dbraw/zinc/15/26/25/1206152625.db2.gz SMPLBBLJJCIOHN-XNRPHZJLSA-N 2 0 369.425 0.437 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001094020579 1206170992 /nfs/dbraw/zinc/17/09/92/1206170992.db2.gz MMCCIERKGQFVKZ-BFYDXBDKSA-N 2 0 365.526 0.853 20 0 FCADRP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c(C)n1 ZINC001094218973 1206202719 /nfs/dbraw/zinc/20/27/19/1206202719.db2.gz BCEXLCHOCMMXBB-UKPHBRMFSA-N 2 0 361.490 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094220716 1206203255 /nfs/dbraw/zinc/20/32/55/1206203255.db2.gz PMFYPSRPYMBRKT-FHLIZLRMSA-N 2 0 358.486 0.921 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1 ZINC001094224306 1206204256 /nfs/dbraw/zinc/20/42/56/1206204256.db2.gz CUPIPWAQVXIQJN-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094238592 1206209730 /nfs/dbraw/zinc/20/97/30/1206209730.db2.gz XBGFUCKFYOJQGN-ZTFGCOKTSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CCCC4)C3)C2)CC[N@@H+]1C ZINC001094738861 1206245278 /nfs/dbraw/zinc/24/52/78/1206245278.db2.gz OZJYJZPMRWOKCT-QGPMSJSTSA-N 2 0 362.518 0.918 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783429 1206252249 /nfs/dbraw/zinc/25/22/49/1206252249.db2.gz QVLUIEHIJSGPAZ-KRWDZBQOSA-N 2 0 370.465 0.908 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172164284 1206258310 /nfs/dbraw/zinc/25/83/10/1206258310.db2.gz YWRXYDHXZFOEHB-CABCVRRESA-N 2 0 365.474 0.736 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173575722 1206281882 /nfs/dbraw/zinc/28/18/82/1206281882.db2.gz FZZCVIYKGQLTPK-BQJWPVKWSA-N 2 0 367.490 0.437 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173745946 1206287438 /nfs/dbraw/zinc/28/74/38/1206287438.db2.gz WSILSWICUURIEQ-SJORKVTESA-N 2 0 370.498 0.535 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001178854664 1206366700 /nfs/dbraw/zinc/36/67/00/1206366700.db2.gz SEPJRQGILQDKNM-KRWDZBQOSA-N 2 0 371.482 0.599 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)COC(C)(C)C)CC2 ZINC001180319415 1206392881 /nfs/dbraw/zinc/39/28/81/1206392881.db2.gz CQPWSHQUGDFYJO-UHFFFAOYSA-N 2 0 368.522 0.498 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001180409399 1206395064 /nfs/dbraw/zinc/39/50/64/1206395064.db2.gz GUTGFNLQFAEGAL-JKSUJKDBSA-N 2 0 369.425 0.383 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(=O)OC(C)(C)C)NC(C)=O ZINC001183879506 1206461546 /nfs/dbraw/zinc/46/15/46/1206461546.db2.gz WWAJCUOKAZBZRT-ZDUSSCGKSA-N 2 0 371.482 0.287 20 0 FCADRP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@H]1C(=O)NCC[NH2+]CCO ZINC001184441361 1206470123 /nfs/dbraw/zinc/47/01/23/1206470123.db2.gz CEAMDZPLCYYFCF-AWEZNQCLSA-N 2 0 372.510 0.404 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001185253604 1206477619 /nfs/dbraw/zinc/47/76/19/1206477619.db2.gz XDLQTZMZAJQZSM-KRWDZBQOSA-N 2 0 360.506 0.109 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001185258873 1206477976 /nfs/dbraw/zinc/47/79/76/1206477976.db2.gz ZLFUFDOVTSKUSY-GOSISDBHSA-N 2 0 368.485 0.961 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510674 1206487722 /nfs/dbraw/zinc/48/77/22/1206487722.db2.gz HPPUKUKJACWLQB-WNRNVDISSA-N 2 0 360.502 0.482 20 0 FCADRP COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220627965 1224974768 /nfs/dbraw/zinc/97/47/68/1224974768.db2.gz NMKIGDBWAFRFBU-LPHOPBHVSA-N 2 0 362.474 0.027 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)CC1 ZINC001220637298 1224978947 /nfs/dbraw/zinc/97/89/47/1224978947.db2.gz BBVXGRDKRHFUJR-MSOLQXFVSA-N 2 0 365.518 0.839 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001220651457 1224989677 /nfs/dbraw/zinc/98/96/77/1224989677.db2.gz LACDFLKLPCNUED-JXFKEZNVSA-N 2 0 358.486 0.871 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CC45CCC[NH+]4CCC5)CC3)[C@@H]2C1 ZINC001273558824 1207444100 /nfs/dbraw/zinc/44/41/00/1207444100.db2.gz OWEVLMYOWKVJQC-HZPDHXFCSA-N 2 0 360.502 0.674 20 0 FCADRP C[NH+](C)C[C@@H]1COCCN1C(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC001188347320 1207446011 /nfs/dbraw/zinc/44/60/11/1207446011.db2.gz GFUXOLXVTJVDCW-GOSISDBHSA-N 2 0 360.502 0.837 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405741 1207454483 /nfs/dbraw/zinc/45/44/83/1207454483.db2.gz PLBVUHYQQWQNHD-QILLFSRXSA-N 2 0 358.442 0.796 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610889 1207466582 /nfs/dbraw/zinc/46/65/82/1207466582.db2.gz SLKAQQUHHCICJN-KZIZELGASA-N 2 0 363.502 0.809 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956443 1207492434 /nfs/dbraw/zinc/49/24/34/1207492434.db2.gz JYKODWPLLWKWBV-QLFBSQMISA-N 2 0 367.494 0.095 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001189433800 1207550536 /nfs/dbraw/zinc/55/05/36/1207550536.db2.gz WCEFDZGEJDKYSE-DLBZAZTESA-N 2 0 357.462 0.796 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732970 1207595773 /nfs/dbraw/zinc/59/57/73/1207595773.db2.gz SVRIPCAGXGCPKI-GBESFXJTSA-N 2 0 365.518 0.648 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819912 1207605614 /nfs/dbraw/zinc/60/56/14/1207605614.db2.gz DHMUYECTTFYZPR-YESZJQIVSA-N 2 0 366.506 0.107 20 0 FCADRP CCCCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801385 1207610347 /nfs/dbraw/zinc/61/03/47/1207610347.db2.gz DRPJDCJJZFBLMP-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001190238765 1207666456 /nfs/dbraw/zinc/66/64/56/1207666456.db2.gz PSHROFZVDHJRLN-BZUAXINKSA-N 2 0 367.538 0.957 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1)C1CC1 ZINC001190467027 1207691101 /nfs/dbraw/zinc/69/11/01/1207691101.db2.gz KDHGBIKYGAWYEN-DOTOQJQBSA-N 2 0 359.474 0.817 20 0 FCADRP CN(C)c1cc(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)ccn1 ZINC001193791915 1207889228 /nfs/dbraw/zinc/88/92/28/1207889228.db2.gz TXVAITFZWLSMQH-IAGOWNOFSA-N 2 0 361.490 0.293 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001193961187 1207901938 /nfs/dbraw/zinc/90/19/38/1207901938.db2.gz LTFULRJQNIVGCT-ZACQAIPSSA-N 2 0 366.510 0.196 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001194103094 1207918759 /nfs/dbraw/zinc/91/87/59/1207918759.db2.gz URWOMCKACUEURF-IAGOWNOFSA-N 2 0 369.506 0.075 20 0 FCADRP [NH3+]Cc1ncccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220714596 1225030510 /nfs/dbraw/zinc/03/05/10/1225030510.db2.gz RDVOQRXFTAAMOL-IRXDYDNUSA-N 2 0 367.453 0.958 20 0 FCADRP C[NH+]1CCN(c2ccc(C(=O)NC3(CO)CC[NH+](C)CC3)c(F)c2)CC1 ZINC001194559819 1207961309 /nfs/dbraw/zinc/96/13/09/1207961309.db2.gz CZZVOXAYPGGEBR-UHFFFAOYSA-N 2 0 364.465 0.764 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@H]2O)CC1 ZINC001195676807 1208032763 /nfs/dbraw/zinc/03/27/63/1208032763.db2.gz KUDSQFGIQGVZSN-QZTJIDSGSA-N 2 0 361.486 0.959 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001195900757 1208044429 /nfs/dbraw/zinc/04/44/29/1208044429.db2.gz QPJRMMLWSHCIAM-OKZBNKHCSA-N 2 0 371.522 0.275 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@H+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001196269314 1208069397 /nfs/dbraw/zinc/06/93/97/1208069397.db2.gz SKXNAYTXXMYPOB-KZNAEPCWSA-N 2 0 369.506 0.435 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001196268303 1208069755 /nfs/dbraw/zinc/06/97/55/1208069755.db2.gz FRCQNYPQIOHIMN-KZNAEPCWSA-N 2 0 371.522 0.273 20 0 FCADRP Cc1ncoc1CN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307636 1208071225 /nfs/dbraw/zinc/07/12/25/1208071225.db2.gz QYPKNFVRXVDOGT-NUEKZKHPSA-N 2 0 366.462 0.145 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001196636935 1208098669 /nfs/dbraw/zinc/09/86/69/1208098669.db2.gz GGNJEHWOUNRTLZ-KZNAEPCWSA-N 2 0 369.506 0.075 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000724 1208128138 /nfs/dbraw/zinc/12/81/38/1208128138.db2.gz ITPFRQNNZKRESZ-USXIJHARSA-N 2 0 368.522 0.327 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000851 1208128200 /nfs/dbraw/zinc/12/82/00/1208128200.db2.gz MRSCLLXISKDIEG-GVDBMIGSSA-N 2 0 370.538 0.575 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O)C(C)C ZINC001197024411 1208133171 /nfs/dbraw/zinc/13/31/71/1208133171.db2.gz CRRZGHFYWAKBFO-JFIYKMOQSA-N 2 0 368.522 0.135 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001197319355 1208152330 /nfs/dbraw/zinc/15/23/30/1208152330.db2.gz BBVXGRDKRHFUJR-QZTJIDSGSA-N 2 0 365.518 0.839 20 0 FCADRP C[N@@H+]1CCCN(Cc2cccc(C(=O)n3cc(C[NH3+])cnc3=N)c2)CC1 ZINC001197521708 1208169728 /nfs/dbraw/zinc/16/97/28/1208169728.db2.gz YVWTXSQIQAMRKD-UHFFFAOYSA-N 2 0 354.458 0.647 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197723420 1208190584 /nfs/dbraw/zinc/19/05/84/1208190584.db2.gz HOOMNMLXQGCWOP-BRWVUGGUSA-N 2 0 370.538 0.527 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755449 1225057200 /nfs/dbraw/zinc/05/72/00/1225057200.db2.gz PCEVSGNYJZMSDV-QRQLOZEOSA-N 2 0 361.486 0.959 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755291 1225057834 /nfs/dbraw/zinc/05/78/34/1225057834.db2.gz KIWRXTLAKCUVLL-QRVBRYPASA-N 2 0 361.486 0.706 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cn1 ZINC001199370180 1208343499 /nfs/dbraw/zinc/34/34/99/1208343499.db2.gz OAMUGMXEMXJULY-QZTJIDSGSA-N 2 0 363.506 0.390 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273790109 1208374331 /nfs/dbraw/zinc/37/43/31/1208374331.db2.gz XCPVJIKFJSEIMQ-MRXNPFEDSA-N 2 0 366.506 0.299 20 0 FCADRP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001273847390 1208425725 /nfs/dbraw/zinc/42/57/25/1208425725.db2.gz FPDPXQIJFJDKMS-KDURUIRLSA-N 2 0 364.534 0.867 20 0 FCADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)C(=O)NC(C)(C)C ZINC001201230848 1208449293 /nfs/dbraw/zinc/44/92/93/1208449293.db2.gz XIDCGVXEPXIBMS-IJEWVQPXSA-N 2 0 368.522 0.589 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)cc1 ZINC001220789127 1225074221 /nfs/dbraw/zinc/07/42/21/1225074221.db2.gz JPHGZHPPVFZDKN-SQNIBIBYSA-N 2 0 367.453 0.517 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001488870240 1208555684 /nfs/dbraw/zinc/55/56/84/1208555684.db2.gz SERJNTUJLPEOFG-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220790246 1225075556 /nfs/dbraw/zinc/07/55/56/1225075556.db2.gz PUOSCACUVXWGKV-ZSYWTGECSA-N 2 0 357.502 0.922 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220791159 1225076551 /nfs/dbraw/zinc/07/65/51/1225076551.db2.gz WVQMXKPWBDQYNK-XSLAGTTESA-N 2 0 371.485 0.591 20 0 FCADRP [NH3+][C@@]12CC[C@@](NC(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)(C1)CCC2 ZINC001220786373 1225073420 /nfs/dbraw/zinc/07/34/20/1225073420.db2.gz WEUDMFADKJZKHZ-ZYSHUDEJSA-N 2 0 370.457 0.924 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220827630 1225092210 /nfs/dbraw/zinc/09/22/10/1225092210.db2.gz WAVCPVMGWCSKDC-KRWDZBQOSA-N 2 0 371.437 0.605 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001489543241 1208903666 /nfs/dbraw/zinc/90/36/66/1208903666.db2.gz KIFZHITVQIJHNF-QBPKDAKJSA-N 2 0 370.538 0.501 20 0 FCADRP Cc1ccc([C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)N2CCC[NH2+]CC2)cc1 ZINC001220935964 1225149009 /nfs/dbraw/zinc/14/90/09/1225149009.db2.gz BHBAJIXGZYDGKN-RBUKOAKNSA-N 2 0 360.502 0.826 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c2ccncn2)CC1 ZINC001220941635 1225149619 /nfs/dbraw/zinc/14/96/19/1225149619.db2.gz WVCQGRAVQOBNBF-KKUMJFAQSA-N 2 0 360.462 0.419 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220949234 1225154035 /nfs/dbraw/zinc/15/40/35/1225154035.db2.gz VSCNBJDQWKNKHI-QGZVFWFLSA-N 2 0 361.490 0.040 20 0 FCADRP CC1(C)C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001220953133 1225155865 /nfs/dbraw/zinc/15/58/65/1225155865.db2.gz MFYYAAAXXICGNS-JYJNAYRXSA-N 2 0 368.522 0.755 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)CC(O)CC(=O)N2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC000856490129 1209713516 /nfs/dbraw/zinc/71/35/16/1209713516.db2.gz WOAUNXHRHMBMCY-IRXDYDNUSA-N 2 0 368.522 0.040 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857244630 1209748033 /nfs/dbraw/zinc/74/80/33/1209748033.db2.gz IYZQAIWVJIBEBV-RXVVDRJESA-N 2 0 372.513 0.959 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975905 1225169039 /nfs/dbraw/zinc/16/90/39/1225169039.db2.gz AFVNMKKCXOPKKH-UHOSZYNNSA-N 2 0 361.486 0.959 20 0 FCADRP [NH3+]CCOCCOCC(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976547 1225169628 /nfs/dbraw/zinc/16/96/28/1225169628.db2.gz DCQSFGRTQHTNOS-UHFFFAOYSA-N 2 0 367.465 0.846 20 0 FCADRP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111496901 1209911726 /nfs/dbraw/zinc/91/17/26/1209911726.db2.gz KKQQYTRPICCYAI-OAGGEKHMSA-N 2 0 373.457 0.534 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001220981124 1225172240 /nfs/dbraw/zinc/17/22/40/1225172240.db2.gz LOELIFLSKDVSLY-UHOSZYNNSA-N 2 0 361.486 0.359 20 0 FCADRP O=C(C(F)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000865126640 1209971731 /nfs/dbraw/zinc/97/17/31/1209971731.db2.gz YNLVJTWJIQTTIE-HOTGVXAUSA-N 2 0 366.481 0.718 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000868287445 1210049864 /nfs/dbraw/zinc/04/98/64/1210049864.db2.gz YVYNDACMKGJCJA-HUUCEWRRSA-N 2 0 359.474 0.715 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030197 1225191728 /nfs/dbraw/zinc/19/17/28/1225191728.db2.gz BJVWIJPZRVQXCU-HZPDHXFCSA-N 2 0 365.453 0.758 20 0 FCADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030196 1225192195 /nfs/dbraw/zinc/19/21/95/1225192195.db2.gz BJVWIJPZRVQXCU-HOTGVXAUSA-N 2 0 365.453 0.758 20 0 FCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000872300675 1210187655 /nfs/dbraw/zinc/18/76/55/1210187655.db2.gz ZPABKXDDHCJZCG-HZMVEIRTSA-N 2 0 363.506 0.641 20 0 FCADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCN1CCOC(C)(C)C1 ZINC000875198178 1210349759 /nfs/dbraw/zinc/34/97/59/1210349759.db2.gz IEXDXTMPIIQVSF-UHFFFAOYSA-N 2 0 368.522 0.851 20 0 FCADRP CCC(CC)[C@@H](NC(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070301 1225208827 /nfs/dbraw/zinc/20/88/27/1225208827.db2.gz MOUUCPKBTYSYAG-ZLIZXFABSA-N 2 0 367.490 0.013 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246820 1210440926 /nfs/dbraw/zinc/44/09/26/1210440926.db2.gz QJFXOWLVJHRJSU-UYTYNIKBSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC000879593045 1210491119 /nfs/dbraw/zinc/49/11/19/1210491119.db2.gz UAAWQALHKGRVIW-UHFFFAOYSA-N 2 0 365.566 0.687 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879596661 1210491215 /nfs/dbraw/zinc/49/12/15/1210491215.db2.gz PNGIYHJKIRYDCQ-QGZVFWFLSA-N 2 0 370.538 0.974 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696409 1210495542 /nfs/dbraw/zinc/49/55/42/1210495542.db2.gz PGQZTFDVLXBULT-OQIJWPOYSA-N 2 0 361.486 0.298 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)c1 ZINC001221092062 1225220197 /nfs/dbraw/zinc/22/01/97/1225220197.db2.gz NDBODZQGQZUXAL-INIZCTEOSA-N 2 0 360.458 0.421 20 0 FCADRP C[NH+]1CCC(NC(=O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000880253605 1210523285 /nfs/dbraw/zinc/52/32/85/1210523285.db2.gz VHPGIWMSRQRLMV-UHFFFAOYSA-N 2 0 365.522 0.003 20 0 FCADRP CN1C(=O)COc2cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c21 ZINC000881264001 1210580170 /nfs/dbraw/zinc/58/01/70/1210580170.db2.gz VUAOSSLHEOKLJH-UHFFFAOYSA-N 2 0 363.462 0.999 20 0 FCADRP CC[NH+]1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2CC)ccn1 ZINC000882487268 1210623498 /nfs/dbraw/zinc/62/34/98/1210623498.db2.gz UFOIIZZFMQCELV-HZPDHXFCSA-N 2 0 359.474 0.730 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001221114161 1225226888 /nfs/dbraw/zinc/22/68/88/1225226888.db2.gz OVPCNOQTKGHIHM-INIZCTEOSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001221113871 1225227047 /nfs/dbraw/zinc/22/70/47/1225227047.db2.gz DZMHCVUIJYCMSK-JXFKEZNVSA-N 2 0 358.486 0.978 20 0 FCADRP CNC(=O)CN1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883128262 1210655074 /nfs/dbraw/zinc/65/50/74/1210655074.db2.gz ZTUBMOXZAXJYOM-HNNXBMFYSA-N 2 0 374.489 0.512 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883346651 1210663349 /nfs/dbraw/zinc/66/33/49/1210663349.db2.gz DTKCEXSSCIGSFI-SJLPKXTDSA-N 2 0 367.538 0.565 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883587017 1210672494 /nfs/dbraw/zinc/67/24/94/1210672494.db2.gz XVKUDDDKOGRHMO-IBGZPJMESA-N 2 0 372.517 0.998 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883604925 1210673439 /nfs/dbraw/zinc/67/34/39/1210673439.db2.gz HODRXQXWMLWNDW-YOEHRIQHSA-N 2 0 359.474 0.763 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883605074 1210673683 /nfs/dbraw/zinc/67/36/83/1210673683.db2.gz LMSQZNPIYUBCCV-QGZVFWFLSA-N 2 0 359.474 0.635 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883604905 1210673808 /nfs/dbraw/zinc/67/38/08/1210673808.db2.gz HHUCTWLGWKAENX-YJBOKZPZSA-N 2 0 371.485 0.730 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883607425 1210674195 /nfs/dbraw/zinc/67/41/95/1210674195.db2.gz UWYMFYQYTZXOHX-MSOLQXFVSA-N 2 0 371.485 0.763 20 0 FCADRP CN(C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC([NH3+])C1 ZINC000883609020 1210674496 /nfs/dbraw/zinc/67/44/96/1210674496.db2.gz MISZEPPDWBDRQP-ZCDVPAHGSA-N 2 0 371.485 0.858 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883607482 1210674505 /nfs/dbraw/zinc/67/45/05/1210674505.db2.gz WOQGXRVXGGUIHJ-QGZVFWFLSA-N 2 0 359.474 0.587 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883611552 1210674958 /nfs/dbraw/zinc/67/49/58/1210674958.db2.gz BNYXOAXKITUUKX-DAYGRLMNSA-N 2 0 371.485 0.763 20 0 FCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883609991 1210675179 /nfs/dbraw/zinc/67/51/79/1210675179.db2.gz JYMDNGJOWYMZGN-WBAXXEDZSA-N 2 0 371.485 0.858 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883639150 1210677237 /nfs/dbraw/zinc/67/72/37/1210677237.db2.gz HKYIGQDTAVSRAP-BEFAXECRSA-N 2 0 357.458 0.331 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883640730 1210677862 /nfs/dbraw/zinc/67/78/62/1210677862.db2.gz XMYUCNRNSJZLIE-MRXNPFEDSA-N 2 0 373.501 0.967 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCN1c1cc[nH+]cc1 ZINC000883641309 1210677919 /nfs/dbraw/zinc/67/79/19/1210677919.db2.gz LMNQNXZCCDATNC-DNVCBOLYSA-N 2 0 357.458 0.473 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883643158 1210678120 /nfs/dbraw/zinc/67/81/20/1210678120.db2.gz FNZUTAGPZBKAOL-HLLBOEOZSA-N 2 0 357.458 0.329 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCN1c1cc[nH+]cc1 ZINC000883641311 1210678379 /nfs/dbraw/zinc/67/83/79/1210678379.db2.gz LMNQNXZCCDATNC-KXBFYZLASA-N 2 0 357.458 0.473 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)c1csc(N2CC[NH2+]CC2)n1 ZINC001221124185 1225230388 /nfs/dbraw/zinc/23/03/88/1225230388.db2.gz YYCPJQFDNGMQEL-UHFFFAOYSA-N 2 0 372.498 0.956 20 0 FCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883654227 1210680182 /nfs/dbraw/zinc/68/01/82/1210680182.db2.gz WRHDVUCPZRRWBS-UHFFFAOYSA-N 2 0 369.554 0.448 20 0 FCADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000884445897 1210735150 /nfs/dbraw/zinc/73/51/50/1210735150.db2.gz AFKPSFHIJKCRNN-GOSISDBHSA-N 2 0 373.501 0.722 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884490559 1210738535 /nfs/dbraw/zinc/73/85/35/1210738535.db2.gz ACFCEYHIGOFOHP-BZUAXINKSA-N 2 0 366.506 0.250 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494198 1210739169 /nfs/dbraw/zinc/73/91/69/1210739169.db2.gz MZMOBISWRRHASN-CABCVRRESA-N 2 0 374.476 0.832 20 0 FCADRP CCN(C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000884517991 1210743545 /nfs/dbraw/zinc/74/35/45/1210743545.db2.gz BHUGYSZUDCDRGK-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000884554319 1210748939 /nfs/dbraw/zinc/74/89/39/1210748939.db2.gz QTLYPEWZVAHDPA-IJEWVQPXSA-N 2 0 364.490 0.003 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554232 1210749002 /nfs/dbraw/zinc/74/90/02/1210749002.db2.gz PJHVNFAOPMMSGK-UGSOOPFHSA-N 2 0 356.470 0.547 20 0 FCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000884557697 1210751028 /nfs/dbraw/zinc/75/10/28/1210751028.db2.gz WXEHPEWLCYJFQH-QGZVFWFLSA-N 2 0 359.474 0.502 20 0 FCADRP CCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884566196 1210752590 /nfs/dbraw/zinc/75/25/90/1210752590.db2.gz CZYJARSSGXQCLR-KRWDZBQOSA-N 2 0 358.486 0.412 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884571960 1210754090 /nfs/dbraw/zinc/75/40/90/1210754090.db2.gz BTMPNXYBBNJMMV-OWYHZJEWSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(F)cc1 ZINC000884576830 1210755742 /nfs/dbraw/zinc/75/57/42/1210755742.db2.gz RFZXKJIBHILSDQ-ZSZQSSIHSA-N 2 0 362.449 0.613 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884603353 1210760613 /nfs/dbraw/zinc/76/06/13/1210760613.db2.gz HWQNGNPKKXNMLD-VQIMIIECSA-N 2 0 366.506 0.206 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884603350 1210760892 /nfs/dbraw/zinc/76/08/92/1210760892.db2.gz HWQNGNPKKXNMLD-APWZRJJASA-N 2 0 366.506 0.206 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000884620438 1210763424 /nfs/dbraw/zinc/76/34/24/1210763424.db2.gz ZMLVQXFAJSVQLK-QGZVFWFLSA-N 2 0 374.485 0.209 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000884631517 1210767590 /nfs/dbraw/zinc/76/75/90/1210767590.db2.gz MZBDSBMWILXQBW-MSOLQXFVSA-N 2 0 358.486 0.663 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884632627 1210768687 /nfs/dbraw/zinc/76/86/87/1210768687.db2.gz VJRKOXKHJVOXJJ-ZWKOTPCHSA-N 2 0 371.485 0.767 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884656323 1210773385 /nfs/dbraw/zinc/77/33/85/1210773385.db2.gz BZCRKVXNUQMEID-HZPDHXFCSA-N 2 0 366.506 0.345 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884664085 1210773893 /nfs/dbraw/zinc/77/38/93/1210773893.db2.gz CMZSPBGWBBTOGH-FQEVSTJZSA-N 2 0 362.518 0.969 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C[NH+]1CCCC1 ZINC000884668859 1210774872 /nfs/dbraw/zinc/77/48/72/1210774872.db2.gz FQYHMYYPAGXFHL-WMZOPIPTSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681419 1210779178 /nfs/dbraw/zinc/77/91/78/1210779178.db2.gz VEARINICASBDEZ-NZSAHSFTSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681420 1210779516 /nfs/dbraw/zinc/77/95/16/1210779516.db2.gz VEARINICASBDEZ-QRQLOZEOSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688526 1210781005 /nfs/dbraw/zinc/78/10/05/1210781005.db2.gz GQPXDFLVQAMYIZ-NJAFHUGGSA-N 2 0 358.486 0.739 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884693721 1210782104 /nfs/dbraw/zinc/78/21/04/1210782104.db2.gz LXNGSRIGVXIERU-ZWKOTPCHSA-N 2 0 356.470 0.303 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000884698808 1210783448 /nfs/dbraw/zinc/78/34/48/1210783448.db2.gz SPZHIENQZPCCBG-RDJZCZTQSA-N 2 0 362.474 0.023 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706601 1210785487 /nfs/dbraw/zinc/78/54/87/1210785487.db2.gz IIFDZNWEJXRXJV-CVEARBPZSA-N 2 0 368.522 0.940 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884712508 1210786002 /nfs/dbraw/zinc/78/60/02/1210786002.db2.gz SJNXFVAIDIYJEM-KXBFYZLASA-N 2 0 359.474 0.625 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@@H]21 ZINC000884725995 1210790929 /nfs/dbraw/zinc/79/09/29/1210790929.db2.gz DLIOEDFUROUJHE-PZPYZRKGSA-N 2 0 374.529 0.809 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884775022 1210793471 /nfs/dbraw/zinc/79/34/71/1210793471.db2.gz WOHHGTZCJUAZAX-OAGGEKHMSA-N 2 0 366.506 0.345 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884797188 1210796667 /nfs/dbraw/zinc/79/66/67/1210796667.db2.gz QQJKSDPZXKXSRV-BCDXTJNWSA-N 2 0 362.518 0.871 20 0 FCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884796569 1210796853 /nfs/dbraw/zinc/79/68/53/1210796853.db2.gz JCPPPDVYCVWZFN-UHFFFAOYSA-N 2 0 362.518 0.969 20 0 FCADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884812756 1210798216 /nfs/dbraw/zinc/79/82/16/1210798216.db2.gz ZMFUNPNGIBDBEL-KRWDZBQOSA-N 2 0 362.474 0.038 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000884820511 1210798903 /nfs/dbraw/zinc/79/89/03/1210798903.db2.gz RZYVHYLWPIPQIM-UHFFFAOYSA-N 2 0 368.522 0.725 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000884834954 1210800255 /nfs/dbraw/zinc/80/02/55/1210800255.db2.gz HSPQRUADRXYANO-NXHRZFHOSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835246 1210800448 /nfs/dbraw/zinc/80/04/48/1210800448.db2.gz NMLKMHKNAXDGND-XYJFISCASA-N 2 0 358.486 0.691 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878572 1210802407 /nfs/dbraw/zinc/80/24/07/1210802407.db2.gz ALSQXMXGIVZIBT-OWCLPIDISA-N 2 0 368.522 0.496 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000884983272 1210807019 /nfs/dbraw/zinc/80/70/19/1210807019.db2.gz QAKJYPQIWKPKRQ-MSOLQXFVSA-N 2 0 358.486 0.896 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012790 1210808017 /nfs/dbraw/zinc/80/80/17/1210808017.db2.gz NGLKTWJWYPKRJI-MUJYYYPQSA-N 2 0 362.474 0.817 20 0 FCADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000885136150 1210811446 /nfs/dbraw/zinc/81/14/46/1210811446.db2.gz MWPWYZROOLLBBY-OAHLLOKOSA-N 2 0 366.506 0.204 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137886 1210811846 /nfs/dbraw/zinc/81/18/46/1210811846.db2.gz KPLQCHNUPMGYMJ-LSDHHAIUSA-N 2 0 366.506 0.250 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885144094 1210812217 /nfs/dbraw/zinc/81/22/17/1210812217.db2.gz YTTXDHMVUUUDLK-JKSUJKDBSA-N 2 0 366.506 0.204 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000885281552 1210817025 /nfs/dbraw/zinc/81/70/25/1210817025.db2.gz VCJOAPNAABVQDD-CQSZACIVSA-N 2 0 372.460 0.824 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000885286477 1210817459 /nfs/dbraw/zinc/81/74/59/1210817459.db2.gz WPNGQRSFIDPKMN-AWEZNQCLSA-N 2 0 372.460 0.824 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285772 1210817617 /nfs/dbraw/zinc/81/76/17/1210817617.db2.gz SWUBVRSKJUCWAY-CQSZACIVSA-N 2 0 374.476 0.928 20 0 FCADRP C[NH+](CCN1CCNC1=O)[C@H]1CC[C@H]([N@H+](C)CCN2CCNC2=O)CC1 ZINC000886389565 1210828745 /nfs/dbraw/zinc/82/87/45/1210828745.db2.gz ORYMZQRDDMZWPO-WKILWMFISA-N 2 0 366.510 0.212 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872186 1210838705 /nfs/dbraw/zinc/83/87/05/1210838705.db2.gz LSBIXSYDYHNXMM-QUCCMNQESA-N 2 0 366.550 0.925 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000887039361 1210843089 /nfs/dbraw/zinc/84/30/89/1210843089.db2.gz IVBKTIOBCMIHAK-GOSISDBHSA-N 2 0 362.478 0.375 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000887039362 1210843447 /nfs/dbraw/zinc/84/34/47/1210843447.db2.gz IVBKTIOBCMIHAK-SFHVURJKSA-N 2 0 362.478 0.375 20 0 FCADRP CNC(=O)C1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000887089492 1210846664 /nfs/dbraw/zinc/84/66/64/1210846664.db2.gz CVIJZQXKJNZCTF-MRXNPFEDSA-N 2 0 362.474 0.290 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C23CC[NH+](CC2)CC3)CC1 ZINC001274004325 1210858055 /nfs/dbraw/zinc/85/80/55/1210858055.db2.gz AHVPBUXBCLQEIK-QRWLVFNGSA-N 2 0 360.502 0.674 20 0 FCADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887448897 1210858359 /nfs/dbraw/zinc/85/83/59/1210858359.db2.gz JEBLXPLAZYVJLE-IEBWSBKVSA-N 2 0 358.490 0.694 20 0 FCADRP CN(C)C(=O)[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001274084154 1210876071 /nfs/dbraw/zinc/87/60/71/1210876071.db2.gz RHIRYBAXTNDNJS-HUUCEWRRSA-N 2 0 361.490 0.782 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)CCC[NH+]2CCCC2)C3)CC1 ZINC001274102587 1210881840 /nfs/dbraw/zinc/88/18/40/1210881840.db2.gz WVCRBTKNPNEHIY-OXQOHEQNSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001274400442 1211044732 /nfs/dbraw/zinc/04/47/32/1211044732.db2.gz IDWBCYMOUTUMQR-IRXDYDNUSA-N 2 0 360.502 0.767 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001274418807 1211049528 /nfs/dbraw/zinc/04/95/28/1211049528.db2.gz LKHCKROKRFTALK-QGZVFWFLSA-N 2 0 362.518 0.731 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001221190475 1225262069 /nfs/dbraw/zinc/26/20/69/1225262069.db2.gz OYHAVCUPFHHSGR-IRXDYDNUSA-N 2 0 374.485 0.105 20 0 FCADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001274908428 1211142032 /nfs/dbraw/zinc/14/20/32/1211142032.db2.gz LXXSAEJMNDPLAR-JENIJYKNSA-N 2 0 361.490 0.263 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H]2CCOC2)CC1 ZINC001275141522 1211178649 /nfs/dbraw/zinc/17/86/49/1211178649.db2.gz GMVBWWYWRWILGK-IPMKNSEASA-N 2 0 364.534 0.726 20 0 FCADRP Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178084 1211190626 /nfs/dbraw/zinc/19/06/26/1211190626.db2.gz USEUMGSRNVKAMO-JQHSSLGASA-N 2 0 360.506 0.007 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(CCC[NH+]1CCCCC1)C2 ZINC001275343517 1211218811 /nfs/dbraw/zinc/21/88/11/1211218811.db2.gz ONBJWLDSUSRTBV-FQEVSTJZSA-N 2 0 366.550 0.975 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1N ZINC001275356303 1211220055 /nfs/dbraw/zinc/22/00/55/1211220055.db2.gz CEJGZNXJHRYGQX-IBGZPJMESA-N 2 0 362.474 0.642 20 0 FCADRP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH+]ccc1N ZINC001275456224 1211242893 /nfs/dbraw/zinc/24/28/93/1211242893.db2.gz WOHJFAUGMRUOMU-OAGGEKHMSA-N 2 0 362.430 0.247 20 0 FCADRP COC(C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O)OC ZINC001275493954 1211250563 /nfs/dbraw/zinc/25/05/63/1211250563.db2.gz QTXRLWUZLUPESZ-LJQANCHMSA-N 2 0 368.522 0.310 20 0 FCADRP C[NH+](C)CC(C)(C)CN1CC[C@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275511566 1211252567 /nfs/dbraw/zinc/25/25/67/1211252567.db2.gz KGFPRVYIHWKTEY-IBGZPJMESA-N 2 0 361.490 0.868 20 0 FCADRP CCOC(=O)c1n[nH]cc1C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001275556859 1211256507 /nfs/dbraw/zinc/25/65/07/1211256507.db2.gz PDRXWBJQACQZCU-SFHVURJKSA-N 2 0 363.462 0.572 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)CC1 ZINC001275556903 1211256593 /nfs/dbraw/zinc/25/65/93/1211256593.db2.gz QBTRLVJAFCRYFQ-IBGZPJMESA-N 2 0 361.490 0.528 20 0 FCADRP CN(C)C(=O)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275737399 1211278700 /nfs/dbraw/zinc/27/87/00/1211278700.db2.gz KGPQEUYVKFTWNW-LJQANCHMSA-N 2 0 366.506 0.015 20 0 FCADRP Cc1cc(CN2C[C@]3(CC[N@H+](CC4CC[NH2+]CC4)C3)OCC2=O)n(C)n1 ZINC001275737807 1211279373 /nfs/dbraw/zinc/27/93/73/1211279373.db2.gz OJKYCDAAWWKTGQ-LJQANCHMSA-N 2 0 361.490 0.531 20 0 FCADRP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001275800188 1211285247 /nfs/dbraw/zinc/28/52/47/1211285247.db2.gz AZYDULSATVYCRH-HMQMGEFJSA-N 2 0 361.490 0.581 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552706 1211295466 /nfs/dbraw/zinc/29/54/66/1211295466.db2.gz GXSINKCSIVYNKH-ROUUACIJSA-N 2 0 367.538 0.375 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc2ccccn2n1 ZINC001221235293 1225276259 /nfs/dbraw/zinc/27/62/59/1225276259.db2.gz ZNEBCTNNSWUGIX-IRXDYDNUSA-N 2 0 372.473 0.398 20 0 FCADRP COC(CN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@H+](C)C1)C2)OC ZINC001275878153 1211303330 /nfs/dbraw/zinc/30/33/30/1211303330.db2.gz ICFZQHRYRCWMHI-LPHOPBHVSA-N 2 0 369.506 0.498 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CCN(C[C@@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878368 1211303574 /nfs/dbraw/zinc/30/35/74/1211303574.db2.gz KHPRBZSKTAHLQX-SJORKVTESA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879103 1211306013 /nfs/dbraw/zinc/30/60/13/1211306013.db2.gz NNGPJLLXKDHUAL-QUCCMNQESA-N 2 0 364.534 0.585 20 0 FCADRP Cn1cncc1CN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879227 1211306421 /nfs/dbraw/zinc/30/64/21/1211306421.db2.gz OWANIFIWHXOUQW-VQIMIIECSA-N 2 0 361.490 0.565 20 0 FCADRP COc1cccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275959084 1211318209 /nfs/dbraw/zinc/31/82/09/1211318209.db2.gz PVTAKHAYKNWVTK-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001095440851 1211344307 /nfs/dbraw/zinc/34/43/07/1211344307.db2.gz AJJBGBGXEQSZBX-HMDCTGQHSA-N 2 0 363.506 0.463 20 0 FCADRP Cc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001276258492 1211395650 /nfs/dbraw/zinc/39/56/50/1211395650.db2.gz BUGZWJOJNQCBBJ-LJQANCHMSA-N 2 0 359.474 0.875 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)cc2)CC1 ZINC000924466192 1211470724 /nfs/dbraw/zinc/47/07/24/1211470724.db2.gz HEUFLLAWEKRUKI-GOSISDBHSA-N 2 0 373.501 0.806 20 0 FCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924657591 1211476335 /nfs/dbraw/zinc/47/63/35/1211476335.db2.gz IBWZSOFGKINALN-AWEZNQCLSA-N 2 0 359.474 0.895 20 0 FCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924668920 1211476623 /nfs/dbraw/zinc/47/66/23/1211476623.db2.gz SEKGOFIQASIQBD-KBPBESRZSA-N 2 0 359.474 0.893 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924668923 1211476730 /nfs/dbraw/zinc/47/67/30/1211476730.db2.gz SEKGOFIQASIQBD-ZIAGYGMSSA-N 2 0 359.474 0.893 20 0 FCADRP Cn1[nH]cc2c(=NC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)ccnc1-2 ZINC000926102894 1211515936 /nfs/dbraw/zinc/51/59/36/1211515936.db2.gz FARYXXNGYSNOTD-GASCZTMLSA-N 2 0 369.473 0.774 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC000926163446 1211519522 /nfs/dbraw/zinc/51/95/22/1211519522.db2.gz XFVLHVSFMZKXKF-UHFFFAOYSA-N 2 0 356.434 0.669 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171550 1211520087 /nfs/dbraw/zinc/52/00/87/1211520087.db2.gz YGKVXLPBKCBWEO-LFGUQSLTSA-N 2 0 366.550 0.610 20 0 FCADRP COc1ccccc1[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1nnc(C)o1 ZINC001221335882 1225300282 /nfs/dbraw/zinc/30/02/82/1225300282.db2.gz IAGHSUOZZYLIPM-UKRRQHHQSA-N 2 0 357.414 0.401 20 0 FCADRP Cc1cn(C)c(CC(=O)NC[C@H]2CC[NH+]2C)c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928556205 1211604379 /nfs/dbraw/zinc/60/43/79/1211604379.db2.gz NQSYADBTCYWZGE-CABCVRRESA-N 2 0 361.490 0.130 20 0 FCADRP CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221364440 1225302766 /nfs/dbraw/zinc/30/27/66/1225302766.db2.gz JLNSHSFTARTUII-KFWWJZLASA-N 2 0 369.510 0.299 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001221402414 1225306596 /nfs/dbraw/zinc/30/65/96/1225306596.db2.gz GOLZUPGSMXRWOB-ABHNRTSZSA-N 2 0 360.502 0.909 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000931481855 1211757908 /nfs/dbraw/zinc/75/79/08/1211757908.db2.gz SMUWXKOLDRJACJ-UHFFFAOYSA-N 2 0 364.490 0.312 20 0 FCADRP O=C(CC[N@@H+]1CC[C@H](C2OCCO2)C1)N1CCN(c2ccccn2)CC1 ZINC000932007048 1211792370 /nfs/dbraw/zinc/79/23/70/1211792370.db2.gz CCFXBCUUSVYPAZ-INIZCTEOSA-N 2 0 360.458 0.815 20 0 FCADRP C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000158530535 1211937523 /nfs/dbraw/zinc/93/75/23/1211937523.db2.gz SCULLPDBNFZTOJ-INIZCTEOSA-N 2 0 371.485 0.953 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC000968617364 1212048920 /nfs/dbraw/zinc/04/89/20/1212048920.db2.gz VRQNJOWGTKWYDF-ZACQAIPSSA-N 2 0 371.441 0.120 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001111279876 1212225029 /nfs/dbraw/zinc/22/50/29/1212225029.db2.gz KGUBBVZSMTUVGN-FPCVCCKLSA-N 2 0 362.478 0.065 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281239 1212232859 /nfs/dbraw/zinc/23/28/59/1212232859.db2.gz JTVGBYXMHVMEIM-TVFCKZIOSA-N 2 0 371.522 0.320 20 0 FCADRP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000950243481 1212539334 /nfs/dbraw/zinc/53/93/34/1212539334.db2.gz DZWOBMHBPNXFFG-BZUAXINKSA-N 2 0 361.490 0.984 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001007848733 1212590435 /nfs/dbraw/zinc/59/04/35/1212590435.db2.gz RJXFWSXRBGWPPK-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3cc(F)ncn3)CC2)CC[N@@H+]1C ZINC001111323603 1212642954 /nfs/dbraw/zinc/64/29/54/1212642954.db2.gz LOAMMRFCDPISIL-UKRRQHHQSA-N 2 0 364.469 0.948 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC001009197929 1212818409 /nfs/dbraw/zinc/81/84/09/1212818409.db2.gz IZLDAXRSBABVON-FGTAOJJYSA-N 2 0 362.518 0.489 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631571 1225406758 /nfs/dbraw/zinc/40/67/58/1225406758.db2.gz XVLFIKYAZFVRMP-KURKYZTESA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@@H+]1C ZINC000953172005 1213000201 /nfs/dbraw/zinc/00/02/01/1213000201.db2.gz HJIOQMGTPBHWPB-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000954356726 1213058433 /nfs/dbraw/zinc/05/84/33/1213058433.db2.gz JGAXHOFURKZQLH-OKZBNKHCSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000954409142 1213069907 /nfs/dbraw/zinc/06/99/07/1213069907.db2.gz LNYRDQCGTWKTJP-OLMNPRSZSA-N 2 0 362.518 0.870 20 0 FCADRP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000954640780 1213092473 /nfs/dbraw/zinc/09/24/73/1213092473.db2.gz LEPGMUPOMCYSHL-HUUCEWRRSA-N 2 0 359.474 0.914 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC000957071304 1213244115 /nfs/dbraw/zinc/24/41/15/1213244115.db2.gz LEOGUYXRDIESNN-OIISXLGYSA-N 2 0 361.490 0.800 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC000957071303 1213244257 /nfs/dbraw/zinc/24/42/57/1213244257.db2.gz LEOGUYXRDIESNN-DJIMGWMZSA-N 2 0 361.490 0.800 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000957522289 1213316527 /nfs/dbraw/zinc/31/65/27/1213316527.db2.gz XPDKGSNASOVEIS-MLGOLLRUSA-N 2 0 370.457 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000958218513 1213391393 /nfs/dbraw/zinc/39/13/93/1213391393.db2.gz LGLSIHFCWRTONH-BFYDXBDKSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC3COC(C)(C)OC3)C2)C1=O ZINC001276345822 1213424823 /nfs/dbraw/zinc/42/48/23/1213424823.db2.gz ICSGKOBHCHTPSI-IBGZPJMESA-N 2 0 367.490 0.788 20 0 FCADRP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701591 1225448552 /nfs/dbraw/zinc/44/85/52/1225448552.db2.gz WBJFVHQKBKNXIY-SYJBPTKTSA-N 2 0 363.502 0.809 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1)C1CCC1 ZINC000960138966 1213633373 /nfs/dbraw/zinc/63/33/73/1213633373.db2.gz MHXMWQJGLPINOK-YESZJQIVSA-N 2 0 364.490 0.003 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771538 1225476312 /nfs/dbraw/zinc/47/63/12/1225476312.db2.gz ACRKTQSZCOWDSQ-KZNAEPCWSA-N 2 0 367.534 0.894 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C[NH+]2CCCC2)C3)CC[N@@H+]1C ZINC001010680467 1213808138 /nfs/dbraw/zinc/80/81/38/1213808138.db2.gz IAPUYNLTKFATDS-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCN2CCCC2=O)CC3)CC[N@@H+]1C ZINC001016634032 1214024754 /nfs/dbraw/zinc/02/47/54/1214024754.db2.gz ZIOQAHQOJXVOKS-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960956617 1214036687 /nfs/dbraw/zinc/03/66/87/1214036687.db2.gz UTASJIQPJVYDRC-IXDOHACOSA-N 2 0 364.490 0.005 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001017488016 1214102468 /nfs/dbraw/zinc/10/24/68/1214102468.db2.gz YHZPIRWODGRMEG-BPQIPLTHSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2CC[NH+](C)CC2)C3)CC[N@@H+]1C ZINC001019070534 1214190007 /nfs/dbraw/zinc/19/00/07/1214190007.db2.gz SASNFDMGUOUSNJ-NVXWUHKLSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C3)CC[N@@H+]1C ZINC001019070226 1214190145 /nfs/dbraw/zinc/19/01/45/1214190145.db2.gz FIHNQMNBTWIBLO-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCCC[NH+]4C)C3)C2)CC[N@@H+]1C ZINC001019169108 1214211068 /nfs/dbraw/zinc/21/10/68/1214211068.db2.gz IUNAVRVANKVBSA-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001020175527 1214316792 /nfs/dbraw/zinc/31/67/92/1214316792.db2.gz UJUCWCNDYFHSPR-QUSNUVHPSA-N 2 0 366.506 0.201 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001039865318 1214450281 /nfs/dbraw/zinc/45/02/81/1214450281.db2.gz OEWFXTFOBWKQKI-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP COc1ccc(CN2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221946984 1225546494 /nfs/dbraw/zinc/54/64/94/1225546494.db2.gz LRBSXRZGHOBYCR-IAGOWNOFSA-N 2 0 362.474 0.701 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001221950682 1225550330 /nfs/dbraw/zinc/55/03/30/1225550330.db2.gz STDVPGVWHWMGTH-GUDVDZBRSA-N 2 0 361.486 0.831 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221958257 1225552967 /nfs/dbraw/zinc/55/29/67/1225552967.db2.gz MTJGFLUHLOKYOY-FGTMMUONSA-N 2 0 363.506 0.509 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC000963823272 1214858937 /nfs/dbraw/zinc/85/89/37/1214858937.db2.gz AOYUGWMDGSTKJE-IHRTYXHKSA-N 2 0 362.518 0.966 20 0 FCADRP CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2)[NH+](C)C ZINC000965391602 1215054605 /nfs/dbraw/zinc/05/46/05/1215054605.db2.gz BYVQMJCFYOSRMX-OAGGEKHMSA-N 2 0 366.506 0.107 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000966066392 1215161751 /nfs/dbraw/zinc/16/17/51/1215161751.db2.gz UKZCPPXEKQUIRH-IKGGRYGDSA-N 2 0 366.506 0.033 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442116 1225624469 /nfs/dbraw/zinc/62/44/69/1225624469.db2.gz DBAIPFZFZHUYSB-ZACQAIPSSA-N 2 0 365.522 0.711 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055642107 1215894400 /nfs/dbraw/zinc/89/44/00/1215894400.db2.gz AWPYSCNNXZWNSB-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001000468577 1216065047 /nfs/dbraw/zinc/06/50/47/1216065047.db2.gz MMPKKHMIQRHICT-NCOADZHNSA-N 2 0 360.502 0.815 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001222869759 1225661130 /nfs/dbraw/zinc/66/11/30/1225661130.db2.gz XHNKDQSAYDKCLG-QRVBRYPASA-N 2 0 367.534 0.896 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001222869760 1225661556 /nfs/dbraw/zinc/66/15/56/1225661556.db2.gz XHNKDQSAYDKCLG-QYZOEREBSA-N 2 0 367.534 0.896 20 0 FCADRP CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)CC2)C1=O ZINC001050524420 1216331144 /nfs/dbraw/zinc/33/11/44/1216331144.db2.gz CAPXOQVXXSJIPW-BRWVUGGUSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524589 1216331429 /nfs/dbraw/zinc/33/14/29/1216331429.db2.gz HAEDTXMPWSWQGX-HLLBOEOZSA-N 2 0 362.518 0.918 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623011 1216467614 /nfs/dbraw/zinc/46/76/14/1216467614.db2.gz BJTRITUVPNRTEF-FVQBIDKESA-N 2 0 363.462 0.142 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnc(C)cn3)C2)CC[N@@H+]1C ZINC001051623640 1216468308 /nfs/dbraw/zinc/46/83/08/1216468308.db2.gz IAKYNYGJKUOMDY-OKZBNKHCSA-N 2 0 361.490 0.832 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3CC)C2)CC[N@@H+]1C ZINC001051623846 1216468754 /nfs/dbraw/zinc/46/87/54/1216468754.db2.gz JPBOBZPXSWLXQK-IXDOHACOSA-N 2 0 364.494 0.345 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039288 1225674530 /nfs/dbraw/zinc/67/45/30/1225674530.db2.gz GDIOKOKCXQZRFP-WBVHZDCISA-N 2 0 359.474 0.577 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001057746376 1216536867 /nfs/dbraw/zinc/53/68/67/1216536867.db2.gz UIRFXHZUWYEAGH-BBWFWOEESA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001057746377 1216537580 /nfs/dbraw/zinc/53/75/80/1216537580.db2.gz UIRFXHZUWYEAGH-GVDBMIGSSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001057748481 1216539506 /nfs/dbraw/zinc/53/95/06/1216539506.db2.gz HCKAYEHWUGCXDC-DLBZAZTESA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057865273 1216597899 /nfs/dbraw/zinc/59/78/99/1216597899.db2.gz XONWMAQQZYYLGL-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC001223242479 1225692839 /nfs/dbraw/zinc/69/28/39/1225692839.db2.gz SCXSNSWFXYDESN-OVYGPGRDSA-N 2 0 365.522 0.377 20 0 FCADRP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC001223242478 1225693408 /nfs/dbraw/zinc/69/34/08/1225693408.db2.gz SCXSNSWFXYDESN-MTSZKFMLSA-N 2 0 365.522 0.377 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001223248322 1225694019 /nfs/dbraw/zinc/69/40/19/1225694019.db2.gz IRYOHEVJWPRYJN-AEGPPILISA-N 2 0 367.494 0.128 20 0 FCADRP COC(=O)CC[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276882637 1225699944 /nfs/dbraw/zinc/69/99/44/1225699944.db2.gz OHPKRXGDEDZNRO-LJQANCHMSA-N 2 0 366.506 0.254 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393666 1225703388 /nfs/dbraw/zinc/70/33/88/1225703388.db2.gz QYOPWNFSCSFYPV-SQNIBIBYSA-N 2 0 371.522 0.275 20 0 FCADRP COC(=O)c1ccnc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001276923378 1225738394 /nfs/dbraw/zinc/73/83/94/1225738394.db2.gz XNVUFJGHRRYTRQ-LJQANCHMSA-N 2 0 360.458 0.997 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001095965336 1217789822 /nfs/dbraw/zinc/78/98/22/1217789822.db2.gz QPGUYGDXJANVKR-NCOADZHNSA-N 2 0 358.490 0.829 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001045781291 1217953367 /nfs/dbraw/zinc/95/33/67/1217953367.db2.gz FNIUUDGGMMSUBR-WCXIOVBPSA-N 2 0 363.506 0.417 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900192324 1217969494 /nfs/dbraw/zinc/96/94/94/1217969494.db2.gz LKIWKTXFJNSGLQ-TZIWHRDSSA-N 2 0 374.529 0.895 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000900601304 1218011734 /nfs/dbraw/zinc/01/17/34/1218011734.db2.gz MFPZMKOMNJGERD-GMNCBBECSA-N 2 0 365.518 0.935 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900696780 1218026665 /nfs/dbraw/zinc/02/66/65/1218026665.db2.gz WQVCHEZNPKTCLX-IBGZPJMESA-N 2 0 367.582 0.792 20 0 FCADRP Cc1c[nH]c(=O)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277012141 1225799199 /nfs/dbraw/zinc/79/91/99/1225799199.db2.gz RPEXYODHKJUYRA-IBGZPJMESA-N 2 0 362.474 0.708 20 0 FCADRP C[C@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364114 1218268251 /nfs/dbraw/zinc/26/82/51/1218268251.db2.gz KOUAGCMRNRJEAE-LGWLGOQQSA-N 2 0 359.474 0.959 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCO)CC1 ZINC001049476231 1218460068 /nfs/dbraw/zinc/46/00/68/1218460068.db2.gz ADIWVJQCTZVRDO-MKXGPGLRSA-N 2 0 365.518 0.791 20 0 FCADRP CN1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739983 1218512013 /nfs/dbraw/zinc/51/20/13/1218512013.db2.gz RCCJKFWFOKMCQX-AZUAARDMSA-N 2 0 364.534 0.631 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000903777644 1218523593 /nfs/dbraw/zinc/52/35/93/1218523593.db2.gz CJIHEJHTWSKQAD-CABCVRRESA-N 2 0 359.474 0.610 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903780592 1218524249 /nfs/dbraw/zinc/52/42/49/1218524249.db2.gz JNLLJEJORMJEKI-JGLNRKDHSA-N 2 0 365.518 0.887 20 0 FCADRP CC[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095351 1218688285 /nfs/dbraw/zinc/68/82/85/1218688285.db2.gz JVPYOQPWCXDDAI-OJLVUWQFSA-N 2 0 362.478 0.044 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226315957 1225839771 /nfs/dbraw/zinc/83/97/71/1225839771.db2.gz JCSYQMKAAXMZGY-HUUCEWRRSA-N 2 0 364.494 0.164 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001226671116 1225851534 /nfs/dbraw/zinc/85/15/34/1225851534.db2.gz HOHBRSAJHLBXNX-HZPDHXFCSA-N 2 0 365.478 0.512 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCc4ccnn4C)C3)C2)CC[N@@H+]1C ZINC001053806638 1218891962 /nfs/dbraw/zinc/89/19/62/1218891962.db2.gz NINKYAIEZHSJCE-BFYDXBDKSA-N 2 0 361.490 0.262 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@@H+]1C ZINC001054134580 1218898865 /nfs/dbraw/zinc/89/88/65/1218898865.db2.gz IEZXFKCLDOGDPA-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC001226767108 1225854120 /nfs/dbraw/zinc/85/41/20/1225854120.db2.gz QJUNQGGLNIMONW-GVDBMIGSSA-N 2 0 363.506 0.745 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226790486 1225854497 /nfs/dbraw/zinc/85/44/97/1225854497.db2.gz DAOVBQZXBHHDGC-JFIYKMOQSA-N 2 0 368.522 0.496 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831544 1225855606 /nfs/dbraw/zinc/85/56/06/1225855606.db2.gz SKGCMNRLPZZQLO-RCCFBDPRSA-N 2 0 371.522 0.512 20 0 FCADRP COC[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055544438 1219075217 /nfs/dbraw/zinc/07/52/17/1219075217.db2.gz UZJNAWZNTGEAJK-ZMSDIMECSA-N 2 0 368.522 0.306 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055578444 1219085464 /nfs/dbraw/zinc/08/54/64/1219085464.db2.gz ODESVCDHCAMEAR-ZWKOTPCHSA-N 2 0 362.518 0.825 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227093084 1225863771 /nfs/dbraw/zinc/86/37/71/1225863771.db2.gz ZRGALYCDEDGINV-ZACQAIPSSA-N 2 0 368.522 0.640 20 0 FCADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055587278 1219089707 /nfs/dbraw/zinc/08/97/07/1219089707.db2.gz YMLSDLKXEKSWQN-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055590010 1219091003 /nfs/dbraw/zinc/09/10/03/1219091003.db2.gz YAIIPRPGAWHQGZ-QAPCUYQASA-N 2 0 368.522 0.448 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000804058934 1219111553 /nfs/dbraw/zinc/11/15/53/1219111553.db2.gz GYWYMNXUQWIJDH-ZACQAIPSSA-N 2 0 366.506 0.347 20 0 FCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059049 1219111814 /nfs/dbraw/zinc/11/18/14/1219111814.db2.gz JWUHPNZQGDQOLK-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000804063078 1219118399 /nfs/dbraw/zinc/11/83/99/1219118399.db2.gz PBMAENNTNJHEJX-BRWVUGGUSA-N 2 0 364.490 0.099 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001227436757 1225874408 /nfs/dbraw/zinc/87/44/08/1225874408.db2.gz FBZPRRCNLFNJGO-HUUCEWRRSA-N 2 0 356.430 0.644 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CC[NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC001070133516 1219208914 /nfs/dbraw/zinc/20/89/14/1219208914.db2.gz CWGQGHKNQIXKIM-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158557 1219244706 /nfs/dbraw/zinc/24/47/06/1219244706.db2.gz POBSAMWYKCLIRK-KURKYZTESA-N 2 0 369.473 0.617 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208969 1219294798 /nfs/dbraw/zinc/29/47/98/1219294798.db2.gz GZUCILFNZMBVQY-OIISXLGYSA-N 2 0 362.478 0.140 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217708 1219300411 /nfs/dbraw/zinc/30/04/11/1219300411.db2.gz OUFJYNXWIOZPML-ZACQAIPSSA-N 2 0 357.462 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070309829 1219367780 /nfs/dbraw/zinc/36/77/80/1219367780.db2.gz FEYSJRWOLPBUAY-NXHRZFHOSA-N 2 0 369.473 0.557 20 0 FCADRP O=C(N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001070311280 1219368820 /nfs/dbraw/zinc/36/88/20/1219368820.db2.gz VVMVQRYGXBFZOL-MSOLQXFVSA-N 2 0 366.469 0.916 20 0 FCADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327163 1219377221 /nfs/dbraw/zinc/37/72/21/1219377221.db2.gz VSMFWNRZCHPDDH-JQHSSLGASA-N 2 0 369.473 0.475 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070328170 1219378793 /nfs/dbraw/zinc/37/87/93/1219378793.db2.gz QHPOZAWPMIFSBG-ZACQAIPSSA-N 2 0 362.478 0.285 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070328316 1219379076 /nfs/dbraw/zinc/37/90/76/1219379076.db2.gz WSCSZOHHHCHBOZ-BBWFWOEESA-N 2 0 362.478 0.142 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001070354627 1219392289 /nfs/dbraw/zinc/39/22/89/1219392289.db2.gz SHCWWZYFCWGJMY-KBPBESRZSA-N 2 0 362.478 0.531 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070367306 1219399257 /nfs/dbraw/zinc/39/92/57/1219399257.db2.gz OQNRXMSQJDBNQY-RYRKJORJSA-N 2 0 366.506 0.202 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070475375 1219426134 /nfs/dbraw/zinc/42/61/34/1219426134.db2.gz QCQRDCCUSITCPZ-JQHSSLGASA-N 2 0 371.489 0.332 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070517093 1219449478 /nfs/dbraw/zinc/44/94/78/1219449478.db2.gz XPTACPGOGDPDBI-CGTJXYLNSA-N 2 0 361.490 0.171 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070563390 1219470737 /nfs/dbraw/zinc/47/07/37/1219470737.db2.gz AVQUCCAGPVUWPP-SOLBZPMBSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070563989 1219471380 /nfs/dbraw/zinc/47/13/80/1219471380.db2.gz OZIGPJWHIGYZJN-UWWQBHOKSA-N 2 0 371.489 0.190 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1cncn1C ZINC001070649266 1219507047 /nfs/dbraw/zinc/50/70/47/1219507047.db2.gz XIEBOVRWDCWXEQ-GDBMZVCRSA-N 2 0 359.478 0.396 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070719051 1219541603 /nfs/dbraw/zinc/54/16/03/1219541603.db2.gz QLEYZNWIEOJBTN-IAGOWNOFSA-N 2 0 371.489 0.297 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+]1CCCC1 ZINC001070720786 1219542603 /nfs/dbraw/zinc/54/26/03/1219542603.db2.gz IBHPBKDAZDHYQO-JFIYKMOQSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001070720779 1219542962 /nfs/dbraw/zinc/54/29/62/1219542962.db2.gz HUVAQEXPASSOMM-QZTJIDSGSA-N 2 0 371.485 0.672 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001228215278 1225900843 /nfs/dbraw/zinc/90/08/43/1225900843.db2.gz DMFYHOBNOGDUKH-HUUCEWRRSA-N 2 0 364.490 0.494 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228224456 1225901628 /nfs/dbraw/zinc/90/16/28/1225901628.db2.gz HVCSVENPRDWYQV-HZPDHXFCSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001071072710 1219600473 /nfs/dbraw/zinc/60/04/73/1219600473.db2.gz JAWWEXDEHWHTAQ-LIAUFEBVSA-N 2 0 363.502 0.855 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001073165883 1219639804 /nfs/dbraw/zinc/63/98/04/1219639804.db2.gz XJOXOGWVHXTRQP-HZPDHXFCSA-N 2 0 368.522 0.402 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001098755241 1219820261 /nfs/dbraw/zinc/82/02/61/1219820261.db2.gz WCWINDQBMVMQRG-DOXZYTNZSA-N 2 0 362.474 0.200 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC001098846602 1219839208 /nfs/dbraw/zinc/83/92/08/1219839208.db2.gz MOKAUNSSGMEJPI-LJCCNALRSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC001098845389 1219839405 /nfs/dbraw/zinc/83/94/05/1219839405.db2.gz VSXNFDODUOMGQP-YZLZLFLDSA-N 2 0 362.518 0.920 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCN(C)C2=O)C3)CC1 ZINC001099093228 1219909422 /nfs/dbraw/zinc/90/94/22/1219909422.db2.gz YBPSHPNZNIYTEW-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001099137867 1219925501 /nfs/dbraw/zinc/92/55/01/1219925501.db2.gz GOJXGQONXCBITN-YEWDVWPNSA-N 2 0 359.430 0.037 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159532 1219935235 /nfs/dbraw/zinc/93/52/35/1219935235.db2.gz HNLYCMUUFSNOPT-VCBZYWHSSA-N 2 0 362.474 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001099437326 1219995760 /nfs/dbraw/zinc/99/57/60/1219995760.db2.gz NMTSSFMNWCCILY-GFIVTLFCSA-N 2 0 360.506 0.874 20 0 FCADRP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[N@H+](C)C2CCC2)C3)C1=O ZINC001099447207 1220000087 /nfs/dbraw/zinc/00/00/87/1220000087.db2.gz ZAJRFKZYRYRWQF-KNBMTAEXSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)c1nnnn1C ZINC001099538182 1220027370 /nfs/dbraw/zinc/02/73/70/1220027370.db2.gz PCNMWHXVCSZILU-VKJFTORMSA-N 2 0 361.494 0.585 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001228647434 1225940551 /nfs/dbraw/zinc/94/05/51/1225940551.db2.gz SPCUIRQHZKSKPW-ZACQAIPSSA-N 2 0 368.522 0.639 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101257294 1220250861 /nfs/dbraw/zinc/25/08/61/1220250861.db2.gz NQUMZVUERZGAJQ-MDZRGWNJSA-N 2 0 370.513 0.971 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001101340321 1220294157 /nfs/dbraw/zinc/29/41/57/1220294157.db2.gz IKGICSFNLCCSQE-GJYPPUQNSA-N 2 0 365.474 0.742 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460462 1220358809 /nfs/dbraw/zinc/35/88/09/1220358809.db2.gz GRXJJWGCXATAIK-FCEWJHQRSA-N 2 0 365.522 0.426 20 0 FCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461870 1220360662 /nfs/dbraw/zinc/36/06/62/1220360662.db2.gz XCPLAQWBZPLPMP-GGPKGHCWSA-N 2 0 367.534 0.896 20 0 FCADRP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001101473127 1220365273 /nfs/dbraw/zinc/36/52/73/1220365273.db2.gz HGLKRASSRDEYMW-UZLBHIALSA-N 2 0 362.518 0.921 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047340 1220477285 /nfs/dbraw/zinc/47/72/85/1220477285.db2.gz CNUGEXYAMSPDOC-QGPMSJSTSA-N 2 0 368.522 0.163 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)ccc2c[nH+]cn21 ZINC001102109414 1220500765 /nfs/dbraw/zinc/50/07/65/1220500765.db2.gz JZLDQVWPHHHILN-GDBMZVCRSA-N 2 0 360.458 0.949 20 0 FCADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214744 1220557987 /nfs/dbraw/zinc/55/79/87/1220557987.db2.gz BYSIQVJQDYSDOE-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001102276825 1220568909 /nfs/dbraw/zinc/56/89/09/1220568909.db2.gz XSFJNGBFBWTTNT-MXSMSXNCSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292723 1220576627 /nfs/dbraw/zinc/57/66/27/1220576627.db2.gz ZSYGUPOAGSEEIO-ZACQAIPSSA-N 2 0 368.522 0.308 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1 ZINC001102288812 1220576760 /nfs/dbraw/zinc/57/67/60/1220576760.db2.gz WUGFJMHCZVAITK-RHSMWYFYSA-N 2 0 362.522 0.921 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102330437 1220584571 /nfs/dbraw/zinc/58/45/71/1220584571.db2.gz VEWBNOHYERHZAR-JFIYKMOQSA-N 2 0 368.522 0.116 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368320 1220597540 /nfs/dbraw/zinc/59/75/40/1220597540.db2.gz PODYQYVYPNHRJB-BRWVUGGUSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@H](COCC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102384955 1220603319 /nfs/dbraw/zinc/60/33/19/1220603319.db2.gz KWGKDENTSLRPAV-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486712 1220650437 /nfs/dbraw/zinc/65/04/37/1220650437.db2.gz RSONAAXZSQLHPQ-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102497406 1220658293 /nfs/dbraw/zinc/65/82/93/1220658293.db2.gz REECEDPSUFTRPP-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513766 1220671939 /nfs/dbraw/zinc/67/19/39/1220671939.db2.gz AJDSZJFWZFFURH-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520300 1220678880 /nfs/dbraw/zinc/67/88/80/1220678880.db2.gz FBZQOSFDICNPJF-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579888 1220701373 /nfs/dbraw/zinc/70/13/73/1220701373.db2.gz VLGXIRKGDAOLMS-HZPDHXFCSA-N 2 0 362.474 0.676 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599022 1220721277 /nfs/dbraw/zinc/72/12/77/1220721277.db2.gz LIDODMSGRNEMPO-OAGGEKHMSA-N 2 0 364.490 0.352 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001229215597 1225990254 /nfs/dbraw/zinc/99/02/54/1225990254.db2.gz YJOXEVMSYRXKSI-GVDBMIGSSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229229959 1225990820 /nfs/dbraw/zinc/99/08/20/1225990820.db2.gz FJSFEEGZKOFGOV-GVDBMIGSSA-N 2 0 368.522 0.329 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993702 1220817563 /nfs/dbraw/zinc/81/75/63/1220817563.db2.gz FORQEBHTALVTTO-KBAYOESNSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083955 1220831314 /nfs/dbraw/zinc/83/13/14/1220831314.db2.gz QITBUNIUYUAFOJ-KFWWJZLASA-N 2 0 364.490 0.350 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148389 1220840773 /nfs/dbraw/zinc/84/07/73/1220840773.db2.gz ZVNZQVWJCZXEML-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103219175 1220852511 /nfs/dbraw/zinc/85/25/11/1220852511.db2.gz ULSGSJYSZOSQPA-QLFBSQMISA-N 2 0 370.457 0.829 20 0 FCADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001103267989 1220858767 /nfs/dbraw/zinc/85/87/67/1220858767.db2.gz MPKJFWORGNTAAL-QRQLOZEOSA-N 2 0 367.534 0.944 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378700 1220873658 /nfs/dbraw/zinc/87/36/58/1220873658.db2.gz FYRWQWDYJFJXPT-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395991 1220877393 /nfs/dbraw/zinc/87/73/93/1220877393.db2.gz XLSSNKYUZNBOKJ-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397001 1220877427 /nfs/dbraw/zinc/87/74/27/1220877427.db2.gz TXDYAMHQODSQKF-FVQBIDKESA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436389 1220882338 /nfs/dbraw/zinc/88/23/38/1220882338.db2.gz WCGYSLLHPKZOOD-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103550435 1220899687 /nfs/dbraw/zinc/89/96/87/1220899687.db2.gz QEXRNXVNSFSYQZ-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)on1 ZINC001103643221 1220925964 /nfs/dbraw/zinc/92/59/64/1220925964.db2.gz GUEQAVYCCJPVHE-HUUCEWRRSA-N 2 0 368.478 0.836 20 0 FCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642248 1220926094 /nfs/dbraw/zinc/92/60/94/1220926094.db2.gz WMMHSQCTRMYFDA-SJLPKXTDSA-N 2 0 365.522 0.615 20 0 FCADRP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643446 1220926190 /nfs/dbraw/zinc/92/61/90/1220926190.db2.gz KCSVGAFGZDUQKV-NVXWUHKLSA-N 2 0 363.506 0.937 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103647813 1220927501 /nfs/dbraw/zinc/92/75/01/1220927501.db2.gz FALCCWVDFBTBHG-CPUCHLNUSA-N 2 0 359.474 0.724 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662826 1220932948 /nfs/dbraw/zinc/93/29/48/1220932948.db2.gz TWXQISWREUFZDQ-QLFBSQMISA-N 2 0 369.510 0.376 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755624 1220966177 /nfs/dbraw/zinc/96/61/77/1220966177.db2.gz MVRCEFUQQJEYNK-IAGOWNOFSA-N 2 0 370.538 0.554 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999996 1220996781 /nfs/dbraw/zinc/99/67/81/1220996781.db2.gz RIAUYWNAFVASDF-OAGGEKHMSA-N 2 0 363.510 0.752 20 0 FCADRP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999728 1220997054 /nfs/dbraw/zinc/99/70/54/1220997054.db2.gz JPZLEVUDZUGJKC-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104185691 1221017366 /nfs/dbraw/zinc/01/73/66/1221017366.db2.gz KHRRXJQFELJSDP-OAGGEKHMSA-N 2 0 363.510 0.657 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001229503540 1226014857 /nfs/dbraw/zinc/01/48/57/1226014857.db2.gz KJENNUPFTDARNY-HUUCEWRRSA-N 2 0 362.478 0.774 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858026 1221138670 /nfs/dbraw/zinc/13/86/70/1221138670.db2.gz KUCJWFWCNKTLBA-SCTDSRPQSA-N 2 0 371.522 0.323 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112285219 1221230416 /nfs/dbraw/zinc/23/04/16/1221230416.db2.gz PRKZKKONHIYTIQ-FCEWJHQRSA-N 2 0 363.506 0.324 20 0 FCADRP Cc1cc(N(C)CCOCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)nc(C)n1 ZINC001115267243 1221276657 /nfs/dbraw/zinc/27/66/57/1221276657.db2.gz SHLTVSLNAPIZIB-GDBMZVCRSA-N 2 0 365.478 0.382 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710088 1226029618 /nfs/dbraw/zinc/02/96/18/1226029618.db2.gz LLVRBJACAVASIQ-IAGOWNOFSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001229716972 1226030664 /nfs/dbraw/zinc/03/06/64/1226030664.db2.gz NJVMLNAJAOOUII-HZPDHXFCSA-N 2 0 370.538 0.744 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001229717652 1226030892 /nfs/dbraw/zinc/03/08/92/1226030892.db2.gz UTLSMGVEHYBFQZ-BZUAXINKSA-N 2 0 364.494 0.361 20 0 FCADRP C[C@H](CC[NH+]1CCC2(CNC(=O)C2)CC1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001116333839 1221354910 /nfs/dbraw/zinc/35/49/10/1221354910.db2.gz YCAZGZHCSMSEAO-MRXNPFEDSA-N 2 0 362.518 0.969 20 0 FCADRP CC(C[NH+]1CCC2(CNC(=O)C2)CC1)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001116333714 1221355026 /nfs/dbraw/zinc/35/50/26/1221355026.db2.gz SQJUMGRDNUDGPJ-UHFFFAOYSA-N 2 0 362.518 0.827 20 0 FCADRP COc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001116627310 1221375217 /nfs/dbraw/zinc/37/52/17/1221375217.db2.gz MQTYGVVSFVIUCP-HNNXBMFYSA-N 2 0 364.490 0.675 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001116952290 1221407863 /nfs/dbraw/zinc/40/78/63/1221407863.db2.gz IPIIQJWUYJHFJL-WBVHZDCISA-N 2 0 366.506 0.156 20 0 FCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001230075180 1226050822 /nfs/dbraw/zinc/05/08/22/1226050822.db2.gz XYEKDDSILSIDLI-QGZVFWFLSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001117604208 1221587484 /nfs/dbraw/zinc/58/74/84/1221587484.db2.gz OSSRLYHWKXHNAP-OTWHNJEPSA-N 2 0 372.513 0.640 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC001230149740 1226059654 /nfs/dbraw/zinc/05/96/54/1226059654.db2.gz QTYYATSFNNUMRE-BRWVUGGUSA-N 2 0 363.506 0.905 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC001118333379 1221762304 /nfs/dbraw/zinc/76/23/04/1221762304.db2.gz MDMDQYWNOVAFHJ-QAETUUGQSA-N 2 0 366.506 0.141 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001230284562 1226071785 /nfs/dbraw/zinc/07/17/85/1226071785.db2.gz KXHVQVKEUBVVME-GVDBMIGSSA-N 2 0 368.522 0.496 20 0 FCADRP CC(C)OC1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001119137303 1221875923 /nfs/dbraw/zinc/87/59/23/1221875923.db2.gz VWERHBIOVIRLJI-UHFFFAOYSA-N 2 0 370.538 0.791 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC001119343630 1221902282 /nfs/dbraw/zinc/90/22/82/1221902282.db2.gz KOZVDWRTPSCYPW-HLLBOEOZSA-N 2 0 360.458 0.377 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356451 1221905383 /nfs/dbraw/zinc/90/53/83/1221905383.db2.gz HBCZECOCUNXMNE-NRSFXHEJSA-N 2 0 358.486 0.867 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC001119372125 1221909005 /nfs/dbraw/zinc/90/90/05/1221909005.db2.gz ZWNMFWRXXSXVJE-MAUKXSAKSA-N 2 0 370.457 0.998 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC001119418385 1221915451 /nfs/dbraw/zinc/91/54/51/1221915451.db2.gz NYHRBODOLVTXBC-KRWDZBQOSA-N 2 0 373.501 0.394 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001120503588 1222096161 /nfs/dbraw/zinc/09/61/61/1222096161.db2.gz UOEUTSSRRJZROJ-INIZCTEOSA-N 2 0 361.494 0.512 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC001120581433 1222106171 /nfs/dbraw/zinc/10/61/71/1222106171.db2.gz JLRMMHKHDVZGGM-LJQANCHMSA-N 2 0 371.485 0.859 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001120643231 1222110579 /nfs/dbraw/zinc/11/05/79/1222110579.db2.gz YRUYGQPDGAGGGY-ULQDDVLXSA-N 2 0 366.506 0.386 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001121921948 1222224092 /nfs/dbraw/zinc/22/40/92/1222224092.db2.gz WUGNDSWWGAGAGB-IBGZPJMESA-N 2 0 359.518 0.166 20 0 FCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122009476 1222233398 /nfs/dbraw/zinc/23/33/98/1222233398.db2.gz QFLWKAADJQIGGQ-GVDBMIGSSA-N 2 0 358.490 0.636 20 0 FCADRP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001122137013 1222244347 /nfs/dbraw/zinc/24/43/47/1222244347.db2.gz UAAIRCKKJUKIPB-GVDBMIGSSA-N 3 0 367.538 0.295 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513297 1222336724 /nfs/dbraw/zinc/33/67/24/1222336724.db2.gz WRABSNRJTUPXMN-VQIMIIECSA-N 2 0 357.502 0.761 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139467365 1222551161 /nfs/dbraw/zinc/55/11/61/1222551161.db2.gz HJYUMWYBEYKNRZ-UHFFFAOYSA-N 2 0 361.490 0.457 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C[C@@H]2C(=O)N(C)C ZINC001232018551 1226136260 /nfs/dbraw/zinc/13/62/60/1226136260.db2.gz LSEJVICJDQHOIC-MRXNPFEDSA-N 2 0 355.442 0.931 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)[N@H+]1CCO ZINC000838475421 1222681073 /nfs/dbraw/zinc/68/10/73/1222681073.db2.gz DHYVEQVGEOPWFS-JZXOWHBKSA-N 2 0 368.522 0.726 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C2CC2)n1 ZINC001277620500 1226141777 /nfs/dbraw/zinc/14/17/77/1226141777.db2.gz JIRUOSJRBBEHFL-LJQANCHMSA-N 2 0 361.490 0.662 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109926 1222808191 /nfs/dbraw/zinc/80/81/91/1222808191.db2.gz OIUKLAYKASSHCH-RHSMWYFYSA-N 2 0 360.458 0.905 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000841144541 1222810170 /nfs/dbraw/zinc/81/01/70/1222810170.db2.gz APCUPBAXZSPZKT-MRXNPFEDSA-N 2 0 373.501 0.835 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1 ZINC000841147823 1222810208 /nfs/dbraw/zinc/81/02/08/1222810208.db2.gz FXBOCMSSVOQWHW-INIZCTEOSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000841162966 1222811650 /nfs/dbraw/zinc/81/16/50/1222811650.db2.gz AGJZQOVMWVOWMP-KRWDZBQOSA-N 2 0 373.501 0.977 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000841201796 1222813156 /nfs/dbraw/zinc/81/31/56/1222813156.db2.gz QVNGKCDRLDBILZ-KRWDZBQOSA-N 2 0 359.474 0.621 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000841250427 1222816341 /nfs/dbraw/zinc/81/63/41/1222816341.db2.gz PQJINDXWBCKPMR-HZPDHXFCSA-N 2 0 371.485 0.587 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1CCCCC1 ZINC000841726268 1222828390 /nfs/dbraw/zinc/82/83/90/1222828390.db2.gz QTFSZDGBBVFKGO-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841926746 1222832007 /nfs/dbraw/zinc/83/20/07/1222832007.db2.gz DWNLMONGUMRHBR-QGZVFWFLSA-N 2 0 361.490 0.717 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841926745 1222832108 /nfs/dbraw/zinc/83/21/08/1222832108.db2.gz DWNLMONGUMRHBR-KRWDZBQOSA-N 2 0 361.490 0.717 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000842203008 1222840843 /nfs/dbraw/zinc/84/08/43/1222840843.db2.gz OANWCLABQFGFAC-OTBWCIGPSA-N 2 0 366.506 0.474 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000842228014 1222843170 /nfs/dbraw/zinc/84/31/70/1222843170.db2.gz APRSKCMQRZPIRU-UHFFFAOYSA-N 2 0 360.502 0.994 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000842267031 1222845181 /nfs/dbraw/zinc/84/51/81/1222845181.db2.gz WFNJSWSRPCUFIM-AEFFLSMTSA-N 2 0 360.502 0.876 20 0 FCADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843047566 1222857531 /nfs/dbraw/zinc/85/75/31/1222857531.db2.gz WTGOTQBPAQUFDU-MRXNPFEDSA-N 2 0 360.458 0.195 20 0 FCADRP CC(C)N(C(=O)CCN1CC[NH+](C)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001143224855 1222870861 /nfs/dbraw/zinc/87/08/61/1222870861.db2.gz FMKAFKHOAHNRMI-UHFFFAOYSA-N 2 0 360.506 0.544 20 0 FCADRP CC[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843377731 1222874455 /nfs/dbraw/zinc/87/44/55/1222874455.db2.gz UJUANZVCNVRNRX-KBPBESRZSA-N 2 0 365.478 0.722 20 0 FCADRP COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001157423266 1223076793 /nfs/dbraw/zinc/07/67/93/1223076793.db2.gz QDZJBRLAEWXMES-CZUORRHYSA-N 2 0 362.474 0.210 20 0 FCADRP Cc1ccc([C@@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720578 1223081168 /nfs/dbraw/zinc/08/11/68/1223081168.db2.gz MCCARHSXGRMXLQ-OALUTQOASA-N 2 0 360.502 0.778 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH3+] ZINC001157810482 1223082441 /nfs/dbraw/zinc/08/24/41/1223082441.db2.gz PGEWLGBBGLJRQL-BGTYHANMSA-N 2 0 358.486 0.743 20 0 FCADRP COC(=O)c1ncnc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1OC ZINC001157848182 1223082906 /nfs/dbraw/zinc/08/29/06/1223082906.db2.gz PZHDFMSZXUTMCB-UHFFFAOYSA-N 2 0 363.462 0.736 20 0 FCADRP C[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157900660 1223084250 /nfs/dbraw/zinc/08/42/50/1223084250.db2.gz OSPCHBVACKYGGX-TXPKVOOTSA-N 2 0 368.522 0.445 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3cnc4ccc(C[NH3+])cc43)n1)CC[NH2+]CC2 ZINC001158006531 1223086666 /nfs/dbraw/zinc/08/66/66/1223086666.db2.gz FVVRFQNEWVERCA-UHFFFAOYSA-N 2 0 372.454 0.366 20 0 FCADRP COC(=O)[C@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CCN1C(C)=O ZINC001158013535 1223086894 /nfs/dbraw/zinc/08/68/94/1223086894.db2.gz FQGSCZADRLFKDG-OAHLLOKOSA-N 2 0 361.446 0.219 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070677 1223088161 /nfs/dbraw/zinc/08/81/61/1223088161.db2.gz NDSWZXXJXYJRPZ-QGZVFWFLSA-N 2 0 370.453 0.530 20 0 FCADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001158083250 1223088304 /nfs/dbraw/zinc/08/83/04/1223088304.db2.gz ZMGYXGNFIDKUSS-FOIQADDNSA-N 2 0 354.454 0.826 20 0 FCADRP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158101804 1223088962 /nfs/dbraw/zinc/08/89/62/1223088962.db2.gz LZWYZOQSRDTHLA-OXQOHEQNSA-N 2 0 358.486 0.544 20 0 FCADRP [NH3+]CCNCC(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158143619 1223090370 /nfs/dbraw/zinc/09/03/70/1223090370.db2.gz XRKYLKSGNKZRDE-SFHVURJKSA-N 2 0 360.502 0.865 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170158 1223090386 /nfs/dbraw/zinc/09/03/86/1223090386.db2.gz WKWNEIBCYFXVMB-AWEZNQCLSA-N 2 0 360.462 0.059 20 0 FCADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001158428496 1223097478 /nfs/dbraw/zinc/09/74/78/1223097478.db2.gz GPPFYXVPMYESTM-BFHYXJOUSA-N 2 0 369.510 0.435 20 0 FCADRP Nc1cccc(C[NH+]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)c1 ZINC001158478175 1223099124 /nfs/dbraw/zinc/09/91/24/1223099124.db2.gz AEXLNQBOGOOGQV-UHFFFAOYSA-N 2 0 353.474 0.791 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H]1COC[C@H]1[NH3+])C2 ZINC001158480120 1223099413 /nfs/dbraw/zinc/09/94/13/1223099413.db2.gz TXQFVWYSDDPQIZ-QCUYGVNKSA-N 2 0 365.474 0.132 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]([NH3+])c1cccc(OC)c1 ZINC001158497777 1223100489 /nfs/dbraw/zinc/10/04/89/1223100489.db2.gz HQEFUTYXXJCEEZ-PQEBFOHHSA-N 2 0 361.442 0.837 20 0 FCADRP O=C([C@@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532390 1223101742 /nfs/dbraw/zinc/10/17/42/1223101742.db2.gz BILSDHHFXUGRKU-IHSNIMORSA-N 2 0 371.485 0.114 20 0 FCADRP O=C([C@@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532391 1223101887 /nfs/dbraw/zinc/10/18/87/1223101887.db2.gz BILSDHHFXUGRKU-KSVNGYGVSA-N 2 0 371.485 0.114 20 0 FCADRP [NH3+]C1([C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@H]3NC4=O)C[C@@H]2CF)CC1 ZINC001158580882 1223102776 /nfs/dbraw/zinc/10/27/76/1223102776.db2.gz CZEUQKIFGHCDCN-KKBVYLPWSA-N 2 0 372.444 0.634 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158697583 1223105695 /nfs/dbraw/zinc/10/56/95/1223105695.db2.gz DHXMTCCPWDSQMU-SFHVURJKSA-N 2 0 362.522 0.737 20 0 FCADRP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC3)cn1 ZINC001158991967 1223114619 /nfs/dbraw/zinc/11/46/19/1223114619.db2.gz RXXCPPVEDDFIPI-DOTOQJQBSA-N 2 0 361.490 0.612 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccc([C@H](N)C[NH3+])cc2)C1 ZINC001159134815 1223118248 /nfs/dbraw/zinc/11/82/48/1223118248.db2.gz PTMXVYMYHNAPSC-RHSMWYFYSA-N 2 0 356.474 0.675 20 0 FCADRP CC(C)(C)N(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160380 1223119460 /nfs/dbraw/zinc/11/94/60/1223119460.db2.gz JNXZGTCZLTUQEO-UONOGXRCSA-N 2 0 369.510 0.300 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159191379 1223120110 /nfs/dbraw/zinc/12/01/10/1223120110.db2.gz ULDYCNOGMGSKBW-QWHCGFSZSA-N 2 0 363.462 0.239 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159210151 1223120895 /nfs/dbraw/zinc/12/08/95/1223120895.db2.gz OYUJNXIDMNILKE-MLHJIOFPSA-N 2 0 360.458 0.151 20 0 FCADRP NC1(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CC[NH2+]CC1 ZINC001159236055 1223121739 /nfs/dbraw/zinc/12/17/39/1223121739.db2.gz JSNIGEBYAYSQPQ-UHFFFAOYSA-N 2 0 369.473 0.038 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290944 1223122996 /nfs/dbraw/zinc/12/29/96/1223122996.db2.gz JKSGHPKONLRBNP-SFHVURJKSA-N 2 0 370.497 0.617 20 0 FCADRP Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159367865 1223125240 /nfs/dbraw/zinc/12/52/40/1223125240.db2.gz LVIOJVNGOCKJQB-RDJZCZTQSA-N 2 0 372.473 0.524 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403622 1223125994 /nfs/dbraw/zinc/12/59/94/1223125994.db2.gz QNXPSSVDWWSVRB-CWRNSKLLSA-N 2 0 357.458 0.434 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC2 ZINC001159412627 1223126400 /nfs/dbraw/zinc/12/64/00/1223126400.db2.gz WGFXVWXLENSOHS-AEFFLSMTSA-N 2 0 357.502 0.974 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC001159437021 1223127343 /nfs/dbraw/zinc/12/73/43/1223127343.db2.gz QTTMNLQHPSPUJN-MRXNPFEDSA-N 2 0 369.444 0.952 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC[C@@H]21 ZINC001159533387 1223129336 /nfs/dbraw/zinc/12/93/36/1223129336.db2.gz FIEAGJZQHJMCSS-FPSMNIFISA-N 2 0 360.506 0.130 20 0 FCADRP O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549150 1223129385 /nfs/dbraw/zinc/12/93/85/1223129385.db2.gz LCYCFDCECDIMEU-KRWDZBQOSA-N 2 0 359.474 0.779 20 0 FCADRP C[NH2+]CCC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159575268 1223129695 /nfs/dbraw/zinc/12/96/95/1223129695.db2.gz ZQWPAZJJZGSPMW-UHFFFAOYSA-N 2 0 354.458 0.976 20 0 FCADRP C[C@@]1(C(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)CC[NH2+]C[C@H]1O ZINC001159549535 1223129747 /nfs/dbraw/zinc/12/97/47/1223129747.db2.gz ONZJNRYCTPVGSY-IEBWSBKVSA-N 2 0 361.490 0.618 20 0 FCADRP [NH3+][C@@H](C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585325 1223130354 /nfs/dbraw/zinc/13/03/54/1223130354.db2.gz PXJLTZKBSVLRNK-CRAIPNDOSA-N 2 0 361.490 0.595 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159585852 1223130376 /nfs/dbraw/zinc/13/03/76/1223130376.db2.gz UCOKHUKTNIURKM-IRXDYDNUSA-N 2 0 363.506 0.985 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)[C@@H]2C ZINC001159634587 1223131630 /nfs/dbraw/zinc/13/16/30/1223131630.db2.gz ZUHDHWHQTYWVMD-GDBMZVCRSA-N 3 0 360.506 0.436 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159747040 1223135650 /nfs/dbraw/zinc/13/56/50/1223135650.db2.gz MTGWZRDNVBGWHS-OKZBNKHCSA-N 2 0 374.485 0.442 20 0 FCADRP [NH3+][C@@H](C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799686 1223137012 /nfs/dbraw/zinc/13/70/12/1223137012.db2.gz SWCRFFBKVDFBGY-WMLDXEAASA-N 2 0 357.462 0.065 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856313 1223138095 /nfs/dbraw/zinc/13/80/95/1223138095.db2.gz SWJRGHKOAJHQEU-CGTJXYLNSA-N 2 0 373.432 0.783 20 0 FCADRP O=C(c1cccc(Nc2cnc(N3CC[NH2+]CC3)nc2)c1)N1CC[NH2+]CC1 ZINC001159989271 1223142006 /nfs/dbraw/zinc/14/20/06/1223142006.db2.gz YZQNTZRBVUHJLJ-UHFFFAOYSA-N 2 0 367.457 0.675 20 0 FCADRP COC[C@@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160060045 1223143768 /nfs/dbraw/zinc/14/37/68/1223143768.db2.gz SMZALYIBMOMRLW-WBVHZDCISA-N 2 0 368.522 0.029 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172357 1223147213 /nfs/dbraw/zinc/14/72/13/1223147213.db2.gz VYEJAWYKMUKTQX-YJBOKZPZSA-N 2 0 367.453 0.861 20 0 FCADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CCO2 ZINC001160177973 1223147891 /nfs/dbraw/zinc/14/78/91/1223147891.db2.gz DCPSLSRIQSXBGT-QFBILLFUSA-N 2 0 364.490 0.101 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001160175367 1223147905 /nfs/dbraw/zinc/14/79/05/1223147905.db2.gz OBDSJZCOPBQSQG-BMFZPTHFSA-N 2 0 362.474 0.270 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001160175368 1223148405 /nfs/dbraw/zinc/14/84/05/1223148405.db2.gz OBDSJZCOPBQSQG-FVQBIDKESA-N 2 0 362.474 0.270 20 0 FCADRP O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]2C1 ZINC001160192080 1223149163 /nfs/dbraw/zinc/14/91/63/1223149163.db2.gz QXNOLXZSXQMQNH-SGWZHLPASA-N 2 0 360.502 0.339 20 0 FCADRP [NH3+]C[C@H]1COc2ccccc2N1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001160199469 1223149454 /nfs/dbraw/zinc/14/94/54/1223149454.db2.gz JSNGRORHCUWFOD-AWEZNQCLSA-N 2 0 353.426 0.985 20 0 FCADRP O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160203510 1223149541 /nfs/dbraw/zinc/14/95/41/1223149541.db2.gz WPKZHEOAWNNAEQ-DLBZAZTESA-N 2 0 374.529 0.731 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160415359 1223158628 /nfs/dbraw/zinc/15/86/28/1223158628.db2.gz RXUAWILJMQFYRB-QFBILLFUSA-N 2 0 374.489 0.539 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422501 1223159201 /nfs/dbraw/zinc/15/92/01/1223159201.db2.gz HACXNTPTRZZKGT-XFUTXVRSSA-N 2 0 358.486 0.863 20 0 FCADRP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160443324 1223159976 /nfs/dbraw/zinc/15/99/76/1223159976.db2.gz GEAZRCNWXXQWQB-QRWLVFNGSA-N 2 0 354.454 0.518 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160505585 1223163635 /nfs/dbraw/zinc/16/36/35/1223163635.db2.gz ZKQDNXRIFKIPIQ-IRXDYDNUSA-N 2 0 368.522 0.722 20 0 FCADRP O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160555543 1223164436 /nfs/dbraw/zinc/16/44/36/1223164436.db2.gz BIZRLUXRYXDVBO-JLTOFOAXSA-N 2 0 370.453 0.957 20 0 FCADRP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160709653 1223169328 /nfs/dbraw/zinc/16/93/28/1223169328.db2.gz HRMITOHLYKRTHZ-RXVVDRJESA-N 2 0 354.498 0.987 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3CCC4(C[NH2+]C4)CC3)C[C@H]1C2 ZINC001160793830 1223173102 /nfs/dbraw/zinc/17/31/02/1223173102.db2.gz ITBAQEHSTWLRKU-ASKKUZCQSA-N 2 0 361.486 0.623 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[NH2+][C@H]3c3cccnc3)C[C@H]1C[NH2+]CC2 ZINC001160806517 1223174883 /nfs/dbraw/zinc/17/48/83/1223174883.db2.gz UKHLXUSRLDHBRU-PDOICOKGSA-N 2 0 372.469 0.733 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@]34CCCO[C@@H]3CC[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160811171 1223174916 /nfs/dbraw/zinc/17/49/16/1223174916.db2.gz LZTPSZXCNLOISC-OHDICMOHSA-N 2 0 365.474 0.146 20 0 FCADRP CO[C@H](CN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904450 1223180377 /nfs/dbraw/zinc/18/03/77/1223180377.db2.gz GJYAZLGVERONRY-QZTJIDSGSA-N 2 0 358.486 0.327 20 0 FCADRP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160940977 1223181063 /nfs/dbraw/zinc/18/10/63/1223181063.db2.gz PUEUKVMNGVNMMZ-KRWDZBQOSA-N 2 0 356.470 0.099 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000251 1223182453 /nfs/dbraw/zinc/18/24/53/1223182453.db2.gz QLOSBLJREPNVON-AEFFLSMTSA-N 2 0 370.453 0.265 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160969232 1223182519 /nfs/dbraw/zinc/18/25/19/1223182519.db2.gz XXASYODUVPZHKV-HOCLYGCPSA-N 2 0 363.412 0.996 20 0 FCADRP O=C(c1cccc(CN2CC[NH2+]CC2)c1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009127 1223183256 /nfs/dbraw/zinc/18/32/56/1223183256.db2.gz SARYTSMDCMYAPU-SFHVURJKSA-N 2 0 358.486 0.421 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198420 1223189428 /nfs/dbraw/zinc/18/94/28/1223189428.db2.gz QODTYEWHQVWGMG-QZTJIDSGSA-N 2 0 370.513 0.485 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC001161252474 1223192240 /nfs/dbraw/zinc/19/22/40/1223192240.db2.gz KZKINBAPSHKEFF-QGZVFWFLSA-N 2 0 362.449 0.873 20 0 FCADRP [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001161294737 1223194600 /nfs/dbraw/zinc/19/46/00/1223194600.db2.gz RHGYQHZTVKRWOT-SHTZXODSSA-N 2 0 354.462 0.243 20 0 FCADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321651 1223195624 /nfs/dbraw/zinc/19/56/24/1223195624.db2.gz AXFYLRHBYNDHDD-BQFCYCMXSA-N 2 0 368.522 0.898 20 0 FCADRP CC(C)N(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353663 1223196496 /nfs/dbraw/zinc/19/64/96/1223196496.db2.gz VKVIZWJWTUQCLG-YJBOKZPZSA-N 2 0 371.485 0.753 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C[C@@H]12 ZINC001161412620 1223198466 /nfs/dbraw/zinc/19/84/66/1223198466.db2.gz LKOIUFJCUHDUIK-JKEDJMADSA-N 2 0 370.497 0.662 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423875 1223199219 /nfs/dbraw/zinc/19/92/19/1223199219.db2.gz RBULHNYHGHCSKA-YOEHRIQHSA-N 2 0 355.442 0.070 20 0 FCADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424493 1223199282 /nfs/dbraw/zinc/19/92/82/1223199282.db2.gz JUUGUCSSJDUTMM-GOSISDBHSA-N 2 0 370.497 0.883 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161445050 1223199605 /nfs/dbraw/zinc/19/96/05/1223199605.db2.gz MOGBBDTWSSFZJA-PKOBYXMFSA-N 4 0 365.566 0.593 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)CC2 ZINC001161481608 1223201403 /nfs/dbraw/zinc/20/14/03/1223201403.db2.gz YNAAIHQCUHVJCB-DAYGRLMNSA-N 2 0 367.396 0.588 20 0 FCADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592057 1223205215 /nfs/dbraw/zinc/20/52/15/1223205215.db2.gz FRZSJSZSRAVPNM-QGZVFWFLSA-N 2 0 368.481 0.723 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)CCn3cnccc3=O)CC2)CC1 ZINC001162190939 1223211587 /nfs/dbraw/zinc/21/15/87/1223211587.db2.gz ICERLUFKDXFZKF-UHFFFAOYSA-N 2 0 361.490 0.652 20 0 FCADRP CC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283344 1223212532 /nfs/dbraw/zinc/21/25/32/1223212532.db2.gz XQXPHTYJWKKAOZ-OAGGEKHMSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(c1ccc(NCc2nnn3c2C[NH2+]CCC3)cc1)N1CC[NH2+]CC1 ZINC001162978507 1223222919 /nfs/dbraw/zinc/22/29/19/1223222919.db2.gz COCBFTZVLISNGA-UHFFFAOYSA-N 2 0 355.446 0.429 20 0 FCADRP O=C1N[C@H](c2ccc(NCc3nnc4n3CCC[NH2+]C4)cc2)CC12C[NH2+]C2 ZINC001163017537 1223223834 /nfs/dbraw/zinc/22/38/34/1223223834.db2.gz JLDVZTDMHOCQNE-HNNXBMFYSA-N 2 0 367.457 0.534 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)nn2)CC1 ZINC001163087608 1223225529 /nfs/dbraw/zinc/22/55/29/1223225529.db2.gz PSVBMYRNXUIRFO-CQSZACIVSA-N 2 0 374.489 0.481 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC2(C[NH2+]CCCO)CC2)CC1 ZINC001164566076 1223239744 /nfs/dbraw/zinc/23/97/44/1223239744.db2.gz IUWQDVGTWQMUCW-MSOLQXFVSA-N 2 0 367.534 0.992 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001164578741 1223240151 /nfs/dbraw/zinc/24/01/51/1223240151.db2.gz PNMOUKXASKSJHP-UONOGXRCSA-N 2 0 367.494 0.048 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164575787 1223240276 /nfs/dbraw/zinc/24/02/76/1223240276.db2.gz HLAHDXZXJNWPMN-BFHYXJOUSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937125 1223262526 /nfs/dbraw/zinc/26/25/26/1223262526.db2.gz KGVZSFXESAUAMP-LBPRGKRZSA-N 2 0 367.457 0.578 20 0 FCADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001166700263 1223284079 /nfs/dbraw/zinc/28/40/79/1223284079.db2.gz DOXQVIVZYCRKGI-AWEZNQCLSA-N 2 0 353.430 0.217 20 0 FCADRP [NH3+]C[C@]1(O)CCCCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001205681877 1223334911 /nfs/dbraw/zinc/33/49/11/1223334911.db2.gz NWMMXWCPGBOKHU-LJQANCHMSA-N 2 0 358.490 0.872 20 0 FCADRP COc1ncc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001206387148 1223358055 /nfs/dbraw/zinc/35/80/55/1223358055.db2.gz NZHMGONWRVWZGK-UHFFFAOYSA-N 2 0 357.458 0.809 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337670 1223438150 /nfs/dbraw/zinc/43/81/50/1223438150.db2.gz UIXPDAFRFUDYKU-KBAYOESNSA-N 2 0 368.522 0.450 20 0 FCADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(CC3CC[NH+](C)CC3)C2)CC1 ZINC001207396955 1223443045 /nfs/dbraw/zinc/44/30/45/1223443045.db2.gz AXPAOPCSPRMRRN-LJQANCHMSA-N 2 0 360.550 0.904 20 0 FCADRP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207437174 1223446675 /nfs/dbraw/zinc/44/66/75/1223446675.db2.gz PSPGUGVERRFWHA-UHFFFAOYSA-N 2 0 371.489 0.404 20 0 FCADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435676 1223447058 /nfs/dbraw/zinc/44/70/58/1223447058.db2.gz SSSFGVGIXKRKLE-IBGZPJMESA-N 2 0 374.489 0.059 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C)[NH+](C)C ZINC001207697776 1223471767 /nfs/dbraw/zinc/47/17/67/1223471767.db2.gz KFUOFUVLGKQOGM-MGPQQGTHSA-N 2 0 367.494 0.094 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706138 1223472760 /nfs/dbraw/zinc/47/27/60/1223472760.db2.gz PMJUVMRMIUCAPT-OAGGEKHMSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705880 1223473013 /nfs/dbraw/zinc/47/30/13/1223473013.db2.gz LCKYFGPJABVWMX-IAGOWNOFSA-N 2 0 363.506 0.678 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208574677 1223558726 /nfs/dbraw/zinc/55/87/26/1223558726.db2.gz FAUYTZFPRXDPQR-KFWWJZLASA-N 2 0 367.494 0.095 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001208628382 1223564914 /nfs/dbraw/zinc/56/49/14/1223564914.db2.gz GGDHLIAIPFHGFC-FRFSOERESA-N 2 0 361.490 0.669 20 0 FCADRP CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630204 1223608945 /nfs/dbraw/zinc/60/89/45/1223608945.db2.gz MGLRCGRLTSTMKL-QUCCMNQESA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+](C)CCN1CCC2(CC[NH+](CCCN3CC[NH+](C)CC3)CC2)C1=O ZINC001276630417 1223609559 /nfs/dbraw/zinc/60/95/59/1223609559.db2.gz UPKBCJFXMJAAPO-UHFFFAOYSA-N 2 0 365.566 0.500 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001209335829 1223611603 /nfs/dbraw/zinc/61/16/03/1223611603.db2.gz WNISJQUGODGHSM-HNNXBMFYSA-N 2 0 360.502 0.817 20 0 FCADRP COCCCN1CCC2(CC[NH+](CCCN3CC[NH+](C)CC3)CC2)C1=O ZINC001276636142 1223612759 /nfs/dbraw/zinc/61/27/59/1223612759.db2.gz JSGWRXSJEVKBNX-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CC(=O)N3CCOCC3)CC2)C1=O ZINC001276675518 1223657482 /nfs/dbraw/zinc/65/74/82/1223657482.db2.gz BIJFUPOZYKCDSF-LJQANCHMSA-N 2 0 366.506 0.111 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210041529 1223662945 /nfs/dbraw/zinc/66/29/45/1223662945.db2.gz SPXPPUQXATUDKQ-JFIYKMOQSA-N 2 0 367.490 0.935 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210051762 1223663229 /nfs/dbraw/zinc/66/32/29/1223663229.db2.gz UGHNKIFTRKTPDN-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210528798 1223695486 /nfs/dbraw/zinc/69/54/86/1223695486.db2.gz HUAUDTPPUHKVGE-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638330 1223826016 /nfs/dbraw/zinc/82/60/16/1223826016.db2.gz JCGHPXJWSPPXNG-KBAYOESNSA-N 2 0 369.506 0.482 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759480 1223845553 /nfs/dbraw/zinc/84/55/53/1223845553.db2.gz NIKOFNXSYMORNY-DJIMGWMZSA-N 2 0 370.538 0.837 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213765000 1223845878 /nfs/dbraw/zinc/84/58/78/1223845878.db2.gz ONNNQOOGEYPLDL-KZNAEPCWSA-N 2 0 371.522 0.729 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n(C)n1 ZINC001214337698 1223901972 /nfs/dbraw/zinc/90/19/72/1223901972.db2.gz AMWDFYKHXBUVGP-YUELXQCFSA-N 2 0 362.478 0.198 20 0 FCADRP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335894 1223902053 /nfs/dbraw/zinc/90/20/53/1223902053.db2.gz LZJXLGYFIVUELY-BRWVUGGUSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214343726 1223902531 /nfs/dbraw/zinc/90/25/31/1223902531.db2.gz DUFMOWFLNQMHLI-DJIMGWMZSA-N 2 0 359.474 0.229 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001214850307 1223948166 /nfs/dbraw/zinc/94/81/66/1223948166.db2.gz SBYQLTJWVAGOOC-BPQIPLTHSA-N 2 0 364.534 0.927 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)on1 ZINC001214904789 1223954559 /nfs/dbraw/zinc/95/45/59/1223954559.db2.gz JPSGFEVUHBNHPW-MRRJBJDNSA-N 2 0 365.478 0.944 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397124 1223996465 /nfs/dbraw/zinc/99/64/65/1223996465.db2.gz UTALHLCNGKPEIC-LTIDMASMSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215453806 1223999781 /nfs/dbraw/zinc/99/97/81/1223999781.db2.gz SKGJGWUGYZSNSQ-RHSMWYFYSA-N 2 0 366.506 0.060 20 0 FCADRP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001215463102 1224000652 /nfs/dbraw/zinc/00/06/52/1224000652.db2.gz HZAZWBMSVZLNSF-SJLPKXTDSA-N 2 0 360.502 0.999 20 0 FCADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458815 1224000691 /nfs/dbraw/zinc/00/06/91/1224000691.db2.gz LXQHDWOOXULKEU-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215453856 1224000779 /nfs/dbraw/zinc/00/07/79/1224000779.db2.gz VINGYAQFBHBHSA-GDBMZVCRSA-N 2 0 367.538 0.862 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](CC)CC ZINC001215519011 1224003968 /nfs/dbraw/zinc/00/39/68/1224003968.db2.gz UOIMUVYJUGUDTQ-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1)[NH+](CC)CC ZINC001215518929 1224004107 /nfs/dbraw/zinc/00/41/07/1224004107.db2.gz REGJDTSJXVCISX-BRWVUGGUSA-N 2 0 370.538 0.696 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518959 1224004235 /nfs/dbraw/zinc/00/42/35/1224004235.db2.gz SAVVNBNKMXOIJU-RBSFLKMASA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001215540985 1224005299 /nfs/dbraw/zinc/00/52/99/1224005299.db2.gz UBBXQLUMKDZUNZ-RBSFLKMASA-N 2 0 360.462 0.193 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557794 1224005975 /nfs/dbraw/zinc/00/59/75/1224005975.db2.gz CTOMIBARXFAKQJ-SJLPKXTDSA-N 2 0 360.502 0.734 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215557995 1224006097 /nfs/dbraw/zinc/00/60/97/1224006097.db2.gz IWNMCJOWBMOVPK-BPQIPLTHSA-N 2 0 358.486 0.486 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001215558698 1224006361 /nfs/dbraw/zinc/00/63/61/1224006361.db2.gz YSTVIQGZAXWIEM-KBAYOESNSA-N 2 0 360.502 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215563233 1224006570 /nfs/dbraw/zinc/00/65/70/1224006570.db2.gz CDDBJGGQNNCQAA-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598832 1224008794 /nfs/dbraw/zinc/00/87/94/1224008794.db2.gz JPPVRTQSEXYDAH-FGTMMUONSA-N 2 0 371.522 0.587 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001215994097 1224029075 /nfs/dbraw/zinc/02/90/75/1224029075.db2.gz PSCKGGIXEVOCDP-NVXWUHKLSA-N 2 0 361.490 0.476 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216212812 1224039075 /nfs/dbraw/zinc/03/90/75/1224039075.db2.gz FGQDYPRDWQHSBC-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216382800 1224047443 /nfs/dbraw/zinc/04/74/43/1224047443.db2.gz CWCDCMGZWBCTDG-BZUAXINKSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216383812 1224047963 /nfs/dbraw/zinc/04/79/63/1224047963.db2.gz QGARHMYUOQZQMP-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001216405196 1224049236 /nfs/dbraw/zinc/04/92/36/1224049236.db2.gz HQHJIGNDRQPLMZ-GDBMZVCRSA-N 2 0 360.458 0.428 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216511159 1224053902 /nfs/dbraw/zinc/05/39/02/1224053902.db2.gz KQGOMRVFAPPZAS-HUUCEWRRSA-N 2 0 365.526 0.749 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757681 1224069113 /nfs/dbraw/zinc/06/91/13/1224069113.db2.gz INVGCHPAUAMBFJ-HUUCEWRRSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216840866 1224078037 /nfs/dbraw/zinc/07/80/37/1224078037.db2.gz IOVUREFUHHTFQS-KZNAEPCWSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001216980619 1224083206 /nfs/dbraw/zinc/08/32/06/1224083206.db2.gz NDGYLNODYFNZTA-OWCLPIDISA-N 2 0 364.490 0.494 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993585535 1249741188 /nfs/dbraw/zinc/74/11/88/1249741188.db2.gz BXOKCMQUUWJZCM-FVQBIDKESA-N 2 0 370.457 0.567 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH3+])CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000911501401 1245501765 /nfs/dbraw/zinc/50/17/65/1245501765.db2.gz CVHIXDKGFYLEEF-UHFFFAOYSA-N 2 0 359.474 0.154 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517090 1245504101 /nfs/dbraw/zinc/50/41/01/1245504101.db2.gz HAHAKXARYSMBJR-MORSLUCNSA-N 2 0 358.486 0.916 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@@H]21 ZINC000911517268 1245505093 /nfs/dbraw/zinc/50/50/93/1245505093.db2.gz QZIANCLOUSRWMT-XOYOTBSWSA-N 2 0 356.470 0.670 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000915542803 1245523739 /nfs/dbraw/zinc/52/37/39/1245523739.db2.gz QBQIJSVCQJUZSU-UHFFFAOYSA-N 3 0 360.506 0.987 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000915721450 1245527730 /nfs/dbraw/zinc/52/77/30/1245527730.db2.gz QKDSHGXZPLABFG-UHFFFAOYSA-N 2 0 359.474 0.587 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000922912433 1245692463 /nfs/dbraw/zinc/69/24/63/1245692463.db2.gz XWVHVRKZLMBPRZ-GOSISDBHSA-N 2 0 373.501 0.887 20 0 FCADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366862 1245713253 /nfs/dbraw/zinc/71/32/53/1245713253.db2.gz PLPMKRFITBULOU-QZTJIDSGSA-N 2 0 362.474 0.364 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC4CCOCC4)C3)CC2)CC[N@@H+]1C ZINC000941412822 1246608218 /nfs/dbraw/zinc/60/82/18/1246608218.db2.gz MANAFQSILVPHQR-VQIMIIECSA-N 2 0 364.534 0.582 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942132788 1246993803 /nfs/dbraw/zinc/99/38/03/1246993803.db2.gz DXJFNOFBUNQSDB-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552827 1247128410 /nfs/dbraw/zinc/12/84/10/1247128410.db2.gz NJVPCCCNVMXKIU-MWQQHZPXSA-N 2 0 366.506 0.010 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000943385401 1247315010 /nfs/dbraw/zinc/31/50/10/1247315010.db2.gz SVCDNEFCEJUHBA-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CCCC2)CC3)CC[N@@H+]1C ZINC000944940481 1247686196 /nfs/dbraw/zinc/68/61/96/1247686196.db2.gz KFKLBMBWZSVOSQ-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595171 1247908550 /nfs/dbraw/zinc/90/85/50/1247908550.db2.gz LVGZKEBDZCQUEM-XLMAVXFVSA-N 2 0 360.506 0.826 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000946775130 1248006933 /nfs/dbraw/zinc/00/69/33/1248006933.db2.gz CJSCJEKWCQXDDL-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@]45CC[NH+](C4)CCC5)C[C@H]32)CC[N@@H+]1C ZINC000976595577 1248269516 /nfs/dbraw/zinc/26/95/16/1248269516.db2.gz NKGHPVJAZKJULH-PEUATVKMSA-N 2 0 360.502 0.386 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC000976601033 1248279796 /nfs/dbraw/zinc/27/97/96/1248279796.db2.gz PQSGDFIJRQELLZ-RXYDEIHYSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000976608755 1248289681 /nfs/dbraw/zinc/28/96/81/1248289681.db2.gz LWGWBRJQGZDZGO-DOEOUOAPSA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000976793730 1248403319 /nfs/dbraw/zinc/40/33/19/1248403319.db2.gz PALDJBOGOCXQME-PVWHLQNVSA-N 2 0 362.518 0.774 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)[NH+](C)C ZINC000994336708 1250384897 /nfs/dbraw/zinc/38/48/97/1250384897.db2.gz VTILHCYNOLIYHI-BRWVUGGUSA-N 2 0 364.534 0.879 20 0 FCADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C1CC1 ZINC000996608194 1251403859 /nfs/dbraw/zinc/40/38/59/1251403859.db2.gz RCABRBONYMWHNJ-XJKCOSOUSA-N 2 0 361.494 0.990 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC[NH+](CCO)CC1 ZINC000997590324 1251633259 /nfs/dbraw/zinc/63/32/59/1251633259.db2.gz XRIAXIBWXQCWPN-IPELMVKDSA-N 2 0 367.534 0.942 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC000997794281 1251711259 /nfs/dbraw/zinc/71/12/59/1251711259.db2.gz YVIKJMBQNGPQNJ-VNQPRFMTSA-N 2 0 363.510 0.830 20 0 FCADRP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000998470273 1251888933 /nfs/dbraw/zinc/88/89/33/1251888933.db2.gz ZLLJNMMHWPCZRL-SIXLDLHFSA-N 2 0 359.474 0.781 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998559020 1251910925 /nfs/dbraw/zinc/91/09/25/1251910925.db2.gz KTURLZZXTPJBGU-LTIDMASMSA-N 2 0 360.502 0.957 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000999711456 1252176518 /nfs/dbraw/zinc/17/65/18/1252176518.db2.gz LJIIHKHFZUUOEH-MHORFTMASA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001002555295 1252598835 /nfs/dbraw/zinc/59/88/35/1252598835.db2.gz IJVWXLXMBQXBSE-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001002950130 1252748235 /nfs/dbraw/zinc/74/82/35/1252748235.db2.gz VDNNPLQHHGVLDJ-MKXGPGLRSA-N 2 0 374.529 0.918 20 0 FCADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)[NH+](C)C ZINC001004390723 1253312594 /nfs/dbraw/zinc/31/25/94/1253312594.db2.gz LAIYJHOFPVKSGC-NCOADZHNSA-N 2 0 362.518 0.917 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cccc5nccn54)[C@@H]3C2)C1 ZINC001022135838 1253774108 /nfs/dbraw/zinc/77/41/08/1253774108.db2.gz FPGRPGITGHVERC-ZMSDIMECSA-N 2 0 367.453 0.959 20 0 FCADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)n1 ZINC001329483882 1265765168 /nfs/dbraw/zinc/76/51/68/1265765168.db2.gz XVJIATLVUOSFDI-ZDUSSCGKSA-N 2 0 354.418 0.780 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC001026495064 1253845567 /nfs/dbraw/zinc/84/55/67/1253845567.db2.gz AUPXRSQQLQHMON-IOTAOYMUSA-N 2 0 366.506 0.236 20 0 FCADRP C/C(=C\C(=O)N1CC[C@H](C[NH+](C)C)C1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001519776865 1265770648 /nfs/dbraw/zinc/77/06/48/1265770648.db2.gz PMUYBNNHKOUHSV-QYHCQRMFSA-N 2 0 350.507 0.753 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)CN(CC[NH3+])Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC001329518810 1265774438 /nfs/dbraw/zinc/77/44/38/1265774438.db2.gz CCSYARSDRBRDEG-ZWKOTPCHSA-N 2 0 356.474 0.134 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001031679156 1253882422 /nfs/dbraw/zinc/88/24/22/1253882422.db2.gz KVYWRWDOARIUCT-LZQZEXGQSA-N 2 0 365.518 0.818 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C[N@@H+]1C1CC1 ZINC001329645420 1265798040 /nfs/dbraw/zinc/79/80/40/1265798040.db2.gz SLEQEHVVZLCDDP-OWCLPIDISA-N 2 0 373.501 0.943 20 0 FCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001329647569 1265798767 /nfs/dbraw/zinc/79/87/67/1265798767.db2.gz PSPFUBPBJDTVEC-TXPKVOOTSA-N 2 0 358.486 0.884 20 0 FCADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001058788022 1254102829 /nfs/dbraw/zinc/10/28/29/1254102829.db2.gz ZRVKQNCKNZPRGN-ZACQAIPSSA-N 2 0 370.538 0.384 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001061601137 1254190021 /nfs/dbraw/zinc/19/00/21/1254190021.db2.gz ZJJFFFAOYPHYNI-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001061621783 1254194828 /nfs/dbraw/zinc/19/48/28/1254194828.db2.gz FGGWXMKDSILQPG-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001065206704 1254488797 /nfs/dbraw/zinc/48/87/97/1254488797.db2.gz NEAAWVHTUUGHSH-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)cn1 ZINC001077818330 1255019024 /nfs/dbraw/zinc/01/90/24/1255019024.db2.gz NYUQEECMONKOOT-IAGOWNOFSA-N 2 0 363.506 0.656 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nccn3C)C2)CC[N@@H+]1C ZINC001078404331 1255408499 /nfs/dbraw/zinc/40/84/99/1255408499.db2.gz YHDBWRDQMQSGJE-YESZJQIVSA-N 2 0 363.506 0.858 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001079130125 1255445245 /nfs/dbraw/zinc/44/52/45/1255445245.db2.gz YPBOWZVGNNRTOH-IPMKNSEASA-N 2 0 361.486 0.537 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@@H+]1C ZINC001079135887 1255449683 /nfs/dbraw/zinc/44/96/83/1255449683.db2.gz SSLUEMJSEAGCDO-NXWXRZEISA-N 2 0 361.486 0.393 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259652 1255492661 /nfs/dbraw/zinc/49/26/61/1255492661.db2.gz MHEXAXMIVYBQOZ-OKZBNKHCSA-N 2 0 365.518 0.650 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001079298701 1255502625 /nfs/dbraw/zinc/50/26/25/1255502625.db2.gz BPWDNLFRYJDXSN-LESCRADOSA-N 2 0 364.465 0.781 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710394 1255583149 /nfs/dbraw/zinc/58/31/49/1255583149.db2.gz GTQXYHSWXGRTDN-FHLIZLRMSA-N 2 0 358.486 0.664 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717335 1255583776 /nfs/dbraw/zinc/58/37/76/1255583776.db2.gz CMFIDZOWJHDRAI-SOLBZPMBSA-N 2 0 363.506 0.921 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080051222 1255725537 /nfs/dbraw/zinc/72/55/37/1255725537.db2.gz PGEUGPWOEAIXBG-ZTFGCOKTSA-N 2 0 368.441 0.642 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188809 1255778315 /nfs/dbraw/zinc/77/83/15/1255778315.db2.gz TWGNMKHLNWLCCL-DJIMGWMZSA-N 2 0 363.506 0.323 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081151740 1256192524 /nfs/dbraw/zinc/19/25/24/1256192524.db2.gz RKOZUVJIMKLFTC-NSHGMRRFSA-N 2 0 370.497 0.930 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001081226699 1256210929 /nfs/dbraw/zinc/21/09/29/1256210929.db2.gz GCTDHJXNLDGOPJ-GBESFXJTSA-N 2 0 368.485 0.814 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330452356 1266028447 /nfs/dbraw/zinc/02/84/47/1266028447.db2.gz XYOOUYZHODACHY-IXDOHACOSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330452351 1266028904 /nfs/dbraw/zinc/02/89/04/1266028904.db2.gz XYOOUYZHODACHY-BRWVUGGUSA-N 2 0 366.506 0.345 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)cn1 ZINC001082095882 1256533018 /nfs/dbraw/zinc/53/30/18/1256533018.db2.gz NAZQGJCFZOAOBP-QZTJIDSGSA-N 2 0 363.506 0.603 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082317694 1256655521 /nfs/dbraw/zinc/65/55/21/1256655521.db2.gz IPGGMUQPIJJXSX-BHIYHBOVSA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082448212 1256766138 /nfs/dbraw/zinc/76/61/38/1256766138.db2.gz IIMQXINLUPCCPG-MZMPZRCHSA-N 2 0 356.474 0.999 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082511946 1256797372 /nfs/dbraw/zinc/79/73/72/1256797372.db2.gz ABVJRJMHYKGBLW-RBSFLKMASA-N 2 0 364.490 0.493 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082517992 1256804297 /nfs/dbraw/zinc/80/42/97/1256804297.db2.gz SUJMNGGODDQBAZ-CRAIPNDOSA-N 2 0 363.506 0.921 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)C1=O ZINC001082588613 1256902150 /nfs/dbraw/zinc/90/21/50/1256902150.db2.gz FRIQCPRXWCADKZ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082592553 1256905096 /nfs/dbraw/zinc/90/50/96/1256905096.db2.gz LUHNRPBKOKRTMU-HZPDHXFCSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082592432 1256905923 /nfs/dbraw/zinc/90/59/23/1256905923.db2.gz DZEQDEXSYHFOOA-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082637323 1256944048 /nfs/dbraw/zinc/94/40/48/1256944048.db2.gz ZMROYPDNXZGZFX-XNRPHZJLSA-N 2 0 354.414 0.206 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082645407 1256950967 /nfs/dbraw/zinc/95/09/67/1256950967.db2.gz ZMYWORKYFCTVKL-BYCMXARLSA-N 2 0 355.398 0.190 20 0 FCADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653608 1256957039 /nfs/dbraw/zinc/95/70/39/1256957039.db2.gz TVCAFZSWAGBTRH-JISMVTRBSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082653584 1256957524 /nfs/dbraw/zinc/95/75/24/1256957524.db2.gz SFZBHWPPTNVEHN-LDBBTLTOSA-N 2 0 359.474 0.183 20 0 FCADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653537 1256958259 /nfs/dbraw/zinc/95/82/59/1256958259.db2.gz PTHHZMJCKDCCIN-JZMXBONXSA-N 2 0 371.485 0.585 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082822126 1257080716 /nfs/dbraw/zinc/08/07/16/1257080716.db2.gz MDIMCCWOWOPCLZ-IXDOHACOSA-N 2 0 360.506 0.934 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084700 1257285859 /nfs/dbraw/zinc/28/58/59/1257285859.db2.gz ACFDSSGRGDEFIN-BHYGNILZSA-N 2 0 365.478 0.005 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2O)cn1 ZINC001083850883 1257607281 /nfs/dbraw/zinc/60/72/81/1257607281.db2.gz AERXYJJAJYSHSQ-MSOLQXFVSA-N 2 0 363.506 0.800 20 0 FCADRP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851301 1257609203 /nfs/dbraw/zinc/60/92/03/1257609203.db2.gz YEFOGRULBATIMV-IPELMVKDSA-N 2 0 371.485 0.981 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)cc1 ZINC001083864140 1257626626 /nfs/dbraw/zinc/62/66/26/1257626626.db2.gz ZVXFNRROEHHIHR-QRQLOZEOSA-N 2 0 361.486 0.950 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936928 1257721383 /nfs/dbraw/zinc/72/13/83/1257721383.db2.gz CMGQISWMDVFRRI-OTWHNJEPSA-N 2 0 365.518 0.839 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088290 1257913546 /nfs/dbraw/zinc/91/35/46/1257913546.db2.gz ZUASXZCSNDZDPI-UHOSZYNNSA-N 2 0 361.486 0.950 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)c1 ZINC001331115431 1266150473 /nfs/dbraw/zinc/15/04/73/1266150473.db2.gz XDPOKDXBOPALFV-ZVZYQTTQSA-N 2 0 374.485 0.896 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CCC1 ZINC001084403789 1258081689 /nfs/dbraw/zinc/08/16/89/1258081689.db2.gz BTZZPKJPLZKCCJ-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CCC1 ZINC001084404022 1258083292 /nfs/dbraw/zinc/08/32/92/1258083292.db2.gz OHGPGTNMKZSVJT-BZUAXINKSA-N 2 0 358.490 0.782 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001084450493 1258118383 /nfs/dbraw/zinc/11/83/83/1258118383.db2.gz KSDAHAVNGCYINB-RCCFBDPRSA-N 2 0 365.518 0.914 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084599657 1258191222 /nfs/dbraw/zinc/19/12/22/1258191222.db2.gz PDMRDZCEZAXRJV-FGTMMUONSA-N 2 0 360.506 0.933 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001084775829 1258317911 /nfs/dbraw/zinc/31/79/11/1258317911.db2.gz VXQGIUPGVBFNID-KZNAEPCWSA-N 2 0 360.506 0.769 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21)N1CCC1 ZINC001084941567 1258454825 /nfs/dbraw/zinc/45/48/25/1258454825.db2.gz PWXBRMCZMHDOEJ-SQNIBIBYSA-N 2 0 360.502 0.483 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072081 1258568295 /nfs/dbraw/zinc/56/82/95/1258568295.db2.gz GLKVVMYMRLYDMV-AEFFLSMTSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076145 1258572437 /nfs/dbraw/zinc/57/24/37/1258572437.db2.gz MPQRVHNVLLBWTF-ZACQAIPSSA-N 2 0 370.501 0.784 20 0 FCADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153637 1258665795 /nfs/dbraw/zinc/66/57/95/1258665795.db2.gz DBGHBVSCYRJXBH-OAGGEKHMSA-N 2 0 366.506 0.012 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172808 1258693593 /nfs/dbraw/zinc/69/35/93/1258693593.db2.gz FZWOYCOBPLQQFT-IJEWVQPXSA-N 2 0 359.474 0.805 20 0 FCADRP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)nn1 ZINC001088201311 1258724872 /nfs/dbraw/zinc/72/48/72/1258724872.db2.gz VXQNELZLNJTPAC-CVEARBPZSA-N 2 0 359.474 0.861 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670897 1258812716 /nfs/dbraw/zinc/81/27/16/1258812716.db2.gz BUVFGOUJPKOCLE-FGTMMUONSA-N 2 0 362.522 0.940 20 0 FCADRP Cc1c(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001092757402 1258830499 /nfs/dbraw/zinc/83/04/99/1258830499.db2.gz ZNZWJEDIFDSDHS-MRRJBJDNSA-N 2 0 355.442 0.829 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829796 1258859424 /nfs/dbraw/zinc/85/94/24/1258859424.db2.gz HNLAWXWFUBDTMV-GDBMZVCRSA-N 2 0 370.457 0.657 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C)C(N)=O ZINC001104369122 1258915810 /nfs/dbraw/zinc/91/58/10/1258915810.db2.gz UFLOSBVHJDJAPU-BZUAXINKSA-N 2 0 361.490 0.856 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105652364 1258922225 /nfs/dbraw/zinc/92/22/25/1258922225.db2.gz LJXDMPLJWIUKNI-RGCFKVTRSA-N 2 0 368.522 0.040 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)[NH+](C)C ZINC001106635389 1258930120 /nfs/dbraw/zinc/93/01/20/1258930120.db2.gz ZDZFTVXEJDIOCH-JFIYKMOQSA-N 2 0 368.522 0.116 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106664903 1258935850 /nfs/dbraw/zinc/93/58/50/1258935850.db2.gz CAMHHQMQZUUOHP-BZUAXINKSA-N 2 0 364.490 0.304 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106665739 1258936654 /nfs/dbraw/zinc/93/66/54/1258936654.db2.gz AEKKGLFMDMAMKV-BRWVUGGUSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106667877 1258937459 /nfs/dbraw/zinc/93/74/59/1258937459.db2.gz AMMROAMFQSQQQZ-NVXWUHKLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001106681054 1258940149 /nfs/dbraw/zinc/94/01/49/1258940149.db2.gz SJEOMMKOJGIIFK-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106779382 1258961489 /nfs/dbraw/zinc/96/14/89/1258961489.db2.gz MJLIBFPJKLZZOU-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106784943 1258962935 /nfs/dbraw/zinc/96/29/35/1258962935.db2.gz PBZACDHNSFNNKQ-HZPDHXFCSA-N 2 0 365.526 0.999 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106840575 1258974642 /nfs/dbraw/zinc/97/46/42/1258974642.db2.gz URRVBMPJWATFGX-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874406 1258984716 /nfs/dbraw/zinc/98/47/16/1258984716.db2.gz GRWAGSYJKCWKAF-BPQIPLTHSA-N 2 0 368.522 0.165 20 0 FCADRP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)ccn1 ZINC001106878239 1258986227 /nfs/dbraw/zinc/98/62/27/1258986227.db2.gz ISIHWAWJQXIKRD-NVXWUHKLSA-N 2 0 364.490 0.853 20 0 FCADRP CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106880432 1258986727 /nfs/dbraw/zinc/98/67/27/1258986727.db2.gz JJKJYDFNNCFOPY-QLFBSQMISA-N 2 0 367.494 0.955 20 0 FCADRP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106877851 1258986802 /nfs/dbraw/zinc/98/68/02/1258986802.db2.gz BBMWMSWUSDDUIN-HZPDHXFCSA-N 2 0 364.490 0.853 20 0 FCADRP CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001106880434 1258986832 /nfs/dbraw/zinc/98/68/32/1258986832.db2.gz JJKJYDFNNCFOPY-RBSFLKMASA-N 2 0 367.494 0.955 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106882567 1258987145 /nfs/dbraw/zinc/98/71/45/1258987145.db2.gz XIGISLDOCFHLPC-NVXWUHKLSA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106882394 1258987529 /nfs/dbraw/zinc/98/75/29/1258987529.db2.gz UFKYWIKJBSLTNV-KZNAEPCWSA-N 2 0 371.522 0.444 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106897394 1258992324 /nfs/dbraw/zinc/99/23/24/1258992324.db2.gz DHOLQGXHCMVHRR-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106910925 1258994146 /nfs/dbraw/zinc/99/41/46/1258994146.db2.gz VTVNHRUPRYZSFZ-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106981039 1259010354 /nfs/dbraw/zinc/01/03/54/1259010354.db2.gz FIIAUNGUFDQMJF-BZUAXINKSA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106997869 1259015164 /nfs/dbraw/zinc/01/51/64/1259015164.db2.gz ZJFZKFIFINXBCV-HUUCEWRRSA-N 2 0 367.494 0.132 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530864 1259108707 /nfs/dbraw/zinc/10/87/07/1259108707.db2.gz PXEAVCJGNUZHFO-IEBWSBKVSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107614032 1259133669 /nfs/dbraw/zinc/13/36/69/1259133669.db2.gz MFQIYERUGISACE-RDTXWAMCSA-N 2 0 367.494 0.274 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603602 1266247896 /nfs/dbraw/zinc/24/78/96/1266247896.db2.gz HBCZECOCUNXMNE-DKIMLUQUSA-N 2 0 358.486 0.867 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129004091 1259287988 /nfs/dbraw/zinc/28/79/88/1259287988.db2.gz LQCQKVLIMBFDKC-HZMVEIRTSA-N 2 0 364.494 0.386 20 0 FCADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127444 1259322328 /nfs/dbraw/zinc/32/23/28/1259322328.db2.gz CKQAGEYBQUOVLC-OAGGEKHMSA-N 2 0 364.494 0.265 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129265728 1259358472 /nfs/dbraw/zinc/35/84/72/1259358472.db2.gz CLXJEYMUDSDIRJ-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001157597291 1259384914 /nfs/dbraw/zinc/38/49/14/1259384914.db2.gz MKHDRCZOLQGNPK-QGZVFWFLSA-N 2 0 367.444 0.364 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N(Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001160651107 1259385904 /nfs/dbraw/zinc/38/59/04/1259385904.db2.gz JVJQOGYRRLARQV-IAGOWNOFSA-N 2 0 360.458 0.937 20 0 FCADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650402 1259385977 /nfs/dbraw/zinc/38/59/77/1259385977.db2.gz VFYQBWROXIQKSJ-ZNMIVQPWSA-N 2 0 363.389 0.656 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200554091 1259416050 /nfs/dbraw/zinc/41/60/50/1259416050.db2.gz FKHDKHRBLGEJBG-IXDOHACOSA-N 2 0 366.506 0.202 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)CC[N@@H+]1C ZINC001200556267 1259417651 /nfs/dbraw/zinc/41/76/51/1259417651.db2.gz XACDZNIGQVPQQJ-IXDOHACOSA-N 2 0 364.494 0.216 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200644374 1259418857 /nfs/dbraw/zinc/41/88/57/1259418857.db2.gz KLPVICCMWXFURC-LSDHHAIUSA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCc3ccco3)CC2)CC[N@@H+]1C ZINC001200636630 1259419398 /nfs/dbraw/zinc/41/93/98/1259419398.db2.gz JYCSNTXJVPLEGL-RHSMWYFYSA-N 2 0 362.474 0.817 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635611 1259419515 /nfs/dbraw/zinc/41/95/15/1259419515.db2.gz BHAODSWQXPCXEU-GZBFAFLISA-N 2 0 367.494 0.141 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1)[NH+](C)C ZINC001211675383 1259425937 /nfs/dbraw/zinc/42/59/37/1259425937.db2.gz PWSZFQVTMBBEBO-OTWHNJEPSA-N 2 0 363.502 0.920 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001211707537 1259427404 /nfs/dbraw/zinc/42/74/04/1259427404.db2.gz YMJVTZTXSDFZCB-DLBZAZTESA-N 2 0 356.470 0.412 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295534 1259456241 /nfs/dbraw/zinc/45/62/41/1259456241.db2.gz USPLFGDSDUOJGS-IAGOWNOFSA-N 2 0 367.494 0.300 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436940 1259505270 /nfs/dbraw/zinc/50/52/70/1259505270.db2.gz RRSHWQDZERVUFN-NUJGCVRESA-N 2 0 368.522 0.401 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496074 1259525224 /nfs/dbraw/zinc/52/52/24/1259525224.db2.gz XUSCHPVISNIIOW-GVDBMIGSSA-N 2 0 371.522 0.462 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212496115 1259525893 /nfs/dbraw/zinc/52/58/93/1259525893.db2.gz ZMHJLEYKMQWGDH-USXIJHARSA-N 2 0 362.430 0.079 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230057 1259537670 /nfs/dbraw/zinc/53/76/70/1259537670.db2.gz WRMGNSCEQYKJNH-RBSFLKMASA-N 2 0 369.510 0.387 20 0 FCADRP CCOC(=O)[C@H]1C[C@@H]2CN(Cc3ccccc3N3CC[NH2+]CC3)C[C@@H]2N1 ZINC001235283031 1259569292 /nfs/dbraw/zinc/56/92/92/1259569292.db2.gz NFTPEQSLJZNRPG-KURKYZTESA-N 2 0 358.486 0.822 20 0 FCADRP CC1(C)NC[C@@H](C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470469 1259572305 /nfs/dbraw/zinc/57/23/05/1259572305.db2.gz AGOLCEKIKYNMAF-HOTGVXAUSA-N 2 0 367.490 0.298 20 0 FCADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001235775152 1259582963 /nfs/dbraw/zinc/58/29/63/1259582963.db2.gz RIGRZYCYAKNEPQ-HOTGVXAUSA-N 2 0 372.473 0.519 20 0 FCADRP CC(C)(C)C(=O)Nc1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872045 1259584634 /nfs/dbraw/zinc/58/46/34/1259584634.db2.gz WFNQPKOJXQHKOA-UHFFFAOYSA-N 2 0 362.522 0.651 20 0 FCADRP COC(=O)c1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1OC ZINC001236317920 1259588208 /nfs/dbraw/zinc/58/82/08/1259588208.db2.gz YMMWRPQFXLFWNN-UHFFFAOYSA-N 2 0 366.462 0.098 20 0 FCADRP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)CCC12C[NH2+]C2 ZINC001237435544 1259598038 /nfs/dbraw/zinc/59/80/38/1259598038.db2.gz IPHBELSGXLNJPW-QGZVFWFLSA-N 3 0 373.501 0.466 20 0 FCADRP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)CCC12C[NH2+]C2 ZINC001237435543 1259598176 /nfs/dbraw/zinc/59/81/76/1259598176.db2.gz IPHBELSGXLNJPW-KRWDZBQOSA-N 3 0 373.501 0.466 20 0 FCADRP C(Cn1nnnc1N1CCC[N@@H+](C2CCCC2)CC1)CN1CCOCC1 ZINC001335340877 1259616144 /nfs/dbraw/zinc/61/61/44/1259616144.db2.gz BFDGIOMQNUPGEQ-UHFFFAOYSA-N 2 0 363.510 0.850 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001335352297 1259620645 /nfs/dbraw/zinc/62/06/45/1259620645.db2.gz RZADFBAPYVODKP-HZPDHXFCSA-N 2 0 374.485 0.259 20 0 FCADRP CN1CCN(NC(=O)c2ccc(-c3nccc(C4C[NH2+]C4)n3)cc2)CC1 ZINC001242097037 1259633040 /nfs/dbraw/zinc/63/30/40/1259633040.db2.gz HXPPEEZJRMVYNO-UHFFFAOYSA-N 2 0 352.442 0.723 20 0 FCADRP c1cc(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc(N2CC[NH2+]CC2)n1 ZINC001242394743 1259635594 /nfs/dbraw/zinc/63/55/94/1259635594.db2.gz PEFSOYZXXUPISQ-UHFFFAOYSA-N 2 0 367.457 0.388 20 0 FCADRP COc1cc(N2CC[NH2+]CC2)ccc1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001244283192 1259638703 /nfs/dbraw/zinc/63/87/03/1259638703.db2.gz HFYUDBIRMBDFDM-UHFFFAOYSA-N 2 0 354.458 0.971 20 0 FCADRP O[C@H](CNc1cccnc1OCC1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245957657 1259641343 /nfs/dbraw/zinc/64/13/43/1259641343.db2.gz WYQNXRGWGXCBEC-INIZCTEOSA-N 2 0 364.490 0.737 20 0 FCADRP COC(=O)[C@@H](NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC001246007657 1259642937 /nfs/dbraw/zinc/64/29/37/1259642937.db2.gz YSYAJKYFQYQAOH-BBWFWOEESA-N 2 0 371.428 0.326 20 0 FCADRP C[C@@](O)(CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCc1ccccc1 ZINC001245986057 1259643144 /nfs/dbraw/zinc/64/31/44/1259643144.db2.gz NZHZMCYOUOIHIR-IEBWSBKVSA-N 2 0 361.486 0.945 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246018641 1259643823 /nfs/dbraw/zinc/64/38/23/1259643823.db2.gz HITFASKKOPWGNA-SFHVURJKSA-N 3 0 362.518 0.847 20 0 FCADRP O[C@H](C[NH2+]CC1(Cc2ccccn2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246006044 1259644172 /nfs/dbraw/zinc/64/41/72/1259644172.db2.gz LUQUCBGKUNXLIF-SFHVURJKSA-N 3 0 362.518 0.449 20 0 FCADRP COC(=O)C1(C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001245992116 1259644426 /nfs/dbraw/zinc/64/44/26/1259644426.db2.gz LCSHEAPULLXDME-JKSUJKDBSA-N 3 0 371.428 0.328 20 0 FCADRP [NH3+]CCCNCCC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011246 1259644518 /nfs/dbraw/zinc/64/45/18/1259644518.db2.gz UEULPRNQBYLMEZ-DLBZAZTESA-N 2 0 368.432 0.425 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](O)COCc3ccccc3)C[C@H]1C2 ZINC001246048570 1259645253 /nfs/dbraw/zinc/64/52/53/1259645253.db2.gz ZAANCLYIKZQAON-CWVBCOCOSA-N 2 0 374.481 0.895 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](O)COc3ccccc3)C[C@H]1C2 ZINC001246044994 1259645778 /nfs/dbraw/zinc/64/57/78/1259645778.db2.gz IRTMNHCWWULXQR-YCWKWXDGSA-N 2 0 360.454 0.757 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]1C2 ZINC001246044244 1259645858 /nfs/dbraw/zinc/64/58/58/1259645858.db2.gz FNSLELWBPDDTBM-UTJFUGJHSA-N 2 0 373.497 0.248 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001246129607 1259648929 /nfs/dbraw/zinc/64/89/29/1259648929.db2.gz GFHBCTGSQYDEKF-UONOGXRCSA-N 2 0 374.489 0.334 20 0 FCADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246518775 1259655314 /nfs/dbraw/zinc/65/53/14/1259655314.db2.gz JFNNGJQCQRAUDO-PMPSAXMXSA-N 2 0 368.522 0.768 20 0 FCADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671272 1259658692 /nfs/dbraw/zinc/65/86/92/1259658692.db2.gz ILDRWHJBPFPGIU-MSWPAXRKSA-N 2 0 365.474 0.001 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)C2 ZINC001246674131 1259660318 /nfs/dbraw/zinc/66/03/18/1259660318.db2.gz QHFIZINNYBSRRR-NHJAOSELSA-N 3 0 363.502 0.618 20 0 FCADRP Fc1cnc(N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)[C@H]2CCC[NH2+]C2)nc1 ZINC001246687340 1259660445 /nfs/dbraw/zinc/66/04/45/1259660445.db2.gz LKQUIAQVPQFNEZ-UWWQBHOKSA-N 2 0 365.453 0.569 20 0 FCADRP O=C([C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2)N1CCOCC1 ZINC001246699533 1259661449 /nfs/dbraw/zinc/66/14/49/1259661449.db2.gz ZAKHHFJWQWIUFD-WFFDWFOESA-N 2 0 363.502 0.857 20 0 FCADRP c1cnc(N([C@H]2COC3(C2)CC[NH2+]CC3)[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246704189 1259663466 /nfs/dbraw/zinc/66/34/66/1259663466.db2.gz LOSRQNSTJWPFCX-HZPDHXFCSA-N 2 0 358.490 0.288 20 0 FCADRP O=C1[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246704539 1259663985 /nfs/dbraw/zinc/66/39/85/1259663985.db2.gz HMXHVMGDMDEYNC-RYQLBKOJSA-N 2 0 358.461 0.810 20 0 FCADRP Cn1nc(C(=O)N2CCCC2)c2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246701109 1259664636 /nfs/dbraw/zinc/66/46/36/1259664636.db2.gz NEJQLODICDXEBW-AWEZNQCLSA-N 2 0 358.490 0.108 20 0 FCADRP c1cnc(N2CC[C@@]3(C2)COCC[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246718771 1259667908 /nfs/dbraw/zinc/66/79/08/1259667908.db2.gz ZMKZHDRPBSUAPI-SJLPKXTDSA-N 2 0 358.490 0.099 20 0 FCADRP CC(C)C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452942 1259669041 /nfs/dbraw/zinc/66/90/41/1259669041.db2.gz RDNPMEAZZFBAQO-KSZLIROESA-N 2 0 354.539 0.608 20 0 FCADRP CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246736639 1259673055 /nfs/dbraw/zinc/67/30/55/1259673055.db2.gz ARMXMJDOTAGBEL-MSOLQXFVSA-N 2 0 369.513 0.956 20 0 FCADRP C[C@H]1C[C@H]([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741002 1259675465 /nfs/dbraw/zinc/67/54/65/1259675465.db2.gz WRTPJQKQAUQXBI-YIOZNXECSA-N 2 0 359.474 0.970 20 0 FCADRP C[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001246923214 1259694726 /nfs/dbraw/zinc/69/47/26/1259694726.db2.gz BKSPLOQHCWJHCO-HKUYNNGSSA-N 3 0 361.534 0.765 20 0 FCADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005757 1259696633 /nfs/dbraw/zinc/69/66/33/1259696633.db2.gz GGNSKEABLURJGA-ZNMIVQPWSA-N 2 0 367.490 0.533 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)c2)CC1 ZINC001247851347 1259706655 /nfs/dbraw/zinc/70/66/55/1259706655.db2.gz WOZIZRKBLPOWTA-PXNSSMCTSA-N 2 0 369.469 0.971 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(C4=NOC5(C[NH2+]C5)C4)n3)c2)CC1 ZINC001247876761 1259707733 /nfs/dbraw/zinc/70/77/33/1259707733.db2.gz XPEUEVPGYKFQGV-UHFFFAOYSA-N 2 0 354.414 0.955 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C[C@@H]4C[NH2+]CCN4)n3)c2)CC1 ZINC001248359639 1259709616 /nfs/dbraw/zinc/70/96/16/1259709616.db2.gz APSCTLQLNSNVII-QGZVFWFLSA-N 2 0 356.474 0.588 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335566838 1259720337 /nfs/dbraw/zinc/72/03/37/1259720337.db2.gz ARWBMXPLAGIVCO-MQOOWTBDSA-N 3 0 361.534 0.985 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251302940 1259743540 /nfs/dbraw/zinc/74/35/40/1259743540.db2.gz GKJZMBNYTBKNBB-LJQANCHMSA-N 2 0 370.538 0.928 20 0 FCADRP CN(C)C1(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001251443446 1259748916 /nfs/dbraw/zinc/74/89/16/1259748916.db2.gz ULWNOZPPTFJSAB-LJQANCHMSA-N 2 0 370.538 0.974 20 0 FCADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252416791 1259785428 /nfs/dbraw/zinc/78/54/28/1259785428.db2.gz CUMSNBRCOKLSSU-ZJPYXAASSA-N 2 0 370.490 0.501 20 0 FCADRP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001252422093 1259787414 /nfs/dbraw/zinc/78/74/14/1259787414.db2.gz QDKBPTGDWCICIB-KRWDZBQOSA-N 2 0 363.458 0.530 20 0 FCADRP CCCCOC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252507766 1259793993 /nfs/dbraw/zinc/79/39/93/1259793993.db2.gz QTWILPZISOTKFU-SFHVURJKSA-N 2 0 365.518 0.988 20 0 FCADRP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C[C@]3(O)CCN(Cc4ccccc4)C3)[C@@H]2O1 ZINC001252943629 1259813203 /nfs/dbraw/zinc/81/32/03/1259813203.db2.gz JEPISDWKQNVWOQ-ZMIKWESLSA-N 2 0 362.470 0.866 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001253185301 1259827305 /nfs/dbraw/zinc/82/73/05/1259827305.db2.gz QFJHFWOQEOJHEW-MKXGPGLRSA-N 2 0 367.534 0.896 20 0 FCADRP O=C1CC2(CN1)CC[NH+](CCCC[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC001253812669 1259858160 /nfs/dbraw/zinc/85/81/60/1259858160.db2.gz XDELWTFMZCPCSH-UHFFFAOYSA-N 2 0 362.518 0.971 20 0 FCADRP CCOC(=O)CN1CCC([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CC1 ZINC001254400807 1259880807 /nfs/dbraw/zinc/88/08/07/1259880807.db2.gz JVTJTXFKILDNQY-WKILWMFISA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN([C@H]2CC4CC[NH+](CC4)C2)CC3)CC1 ZINC001254856050 1259898472 /nfs/dbraw/zinc/89/84/72/1259898472.db2.gz DAMOOFLVNOGHBN-IBGZPJMESA-N 2 0 358.534 0.930 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)[C@H]2CC[N@H+](C)C2)C1 ZINC001255424651 1259911565 /nfs/dbraw/zinc/91/15/65/1259911565.db2.gz ZKRVZRFIJXOUTL-QQCJEOGWSA-N 3 0 372.554 0.460 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340073 1259946693 /nfs/dbraw/zinc/94/66/93/1259946693.db2.gz PIGDKWPFMIFMIO-KZNAEPCWSA-N 2 0 369.506 0.293 20 0 FCADRP COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256698638 1259956891 /nfs/dbraw/zinc/95/68/91/1259956891.db2.gz QLWATCZRGLTEPK-RYTJFDOTSA-N 2 0 368.474 0.914 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001256792528 1259960209 /nfs/dbraw/zinc/96/02/09/1259960209.db2.gz QJMPAEWBKDSMTE-MRXNPFEDSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174628 1260025204 /nfs/dbraw/zinc/02/52/04/1260025204.db2.gz FMWKBYXIXZAOPH-JKSUJKDBSA-N 2 0 368.522 0.632 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC001331973661 1266310782 /nfs/dbraw/zinc/31/07/82/1266310782.db2.gz QQWHSJOQMVVDMR-BRSBDYLESA-N 2 0 364.534 0.929 20 0 FCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500437 1260151319 /nfs/dbraw/zinc/15/13/19/1260151319.db2.gz RUBOIXGGBNIWGS-KXBFYZLASA-N 2 0 368.522 0.578 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1nnn(C3CC[NH2+]CC3)c1C(F)F)C2 ZINC001336741938 1260211838 /nfs/dbraw/zinc/21/18/38/1260211838.db2.gz KCNPCKOEFKULAW-MGPLVRAMSA-N 2 0 354.405 0.822 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H]1CC[NH3+] ZINC001336820900 1260230037 /nfs/dbraw/zinc/23/00/37/1260230037.db2.gz WRVAOIXKBXRYAB-FGTMMUONSA-N 2 0 367.538 0.552 20 0 FCADRP C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1CC[NH3+] ZINC001336820903 1260230925 /nfs/dbraw/zinc/23/09/25/1260230925.db2.gz WRVAOIXKBXRYAB-SQNIBIBYSA-N 2 0 367.538 0.552 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1=O ZINC001336829532 1260232401 /nfs/dbraw/zinc/23/24/01/1260232401.db2.gz DBDFIFXODVUGCW-CZUORRHYSA-N 2 0 371.428 0.767 20 0 FCADRP O=C(CNC(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001336906588 1260251151 /nfs/dbraw/zinc/25/11/51/1260251151.db2.gz FLARCIKHLXXYOY-OAHLLOKOSA-N 2 0 351.495 0.230 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1C[NH2+]CC3(CCOCC3)C1)C2 ZINC001336947232 1260263709 /nfs/dbraw/zinc/26/37/09/1260263709.db2.gz NRKMFNDVEKXRAA-GFCCVEGCSA-N 2 0 365.503 0.828 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC001336990772 1260277698 /nfs/dbraw/zinc/27/76/98/1260277698.db2.gz PAMYPEZRCYKIFG-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001336989605 1260277855 /nfs/dbraw/zinc/27/78/55/1260277855.db2.gz HPDOQJHWOXLERM-INIZCTEOSA-N 2 0 365.522 0.572 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001337003272 1260280869 /nfs/dbraw/zinc/28/08/69/1260280869.db2.gz CBUJVPXEMQASTQ-OXJNMPFZSA-N 2 0 374.485 0.998 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024551 1260288039 /nfs/dbraw/zinc/28/80/39/1260288039.db2.gz UFRLTRMTSLRWTC-CHWSQXEVSA-N 2 0 351.417 0.606 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001337077876 1260303191 /nfs/dbraw/zinc/30/31/91/1260303191.db2.gz MICVNEYAEARSHJ-IRXDYDNUSA-N 2 0 350.507 0.289 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001337125718 1260316879 /nfs/dbraw/zinc/31/68/79/1260316879.db2.gz DXWZJEZBVSGHNY-AWEZNQCLSA-N 2 0 352.483 0.278 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)CC1 ZINC001263100770 1260339978 /nfs/dbraw/zinc/33/99/78/1260339978.db2.gz XUVDYBWQHJFRCY-UHFFFAOYSA-N 2 0 363.462 0.424 20 0 FCADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001263103597 1260341269 /nfs/dbraw/zinc/34/12/69/1260341269.db2.gz FGZKPOSQVXGFNZ-KSSFIOAISA-N 2 0 363.481 0.658 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001263100872 1260341348 /nfs/dbraw/zinc/34/13/48/1260341348.db2.gz AXFAJORFIDWGAU-QGZVFWFLSA-N 2 0 374.489 0.744 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001263103235 1260342259 /nfs/dbraw/zinc/34/22/59/1260342259.db2.gz SVUKZCIEJQRLBO-HXUWFJFHSA-N 2 0 373.545 0.604 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@H](C)C1 ZINC001337387446 1260387278 /nfs/dbraw/zinc/38/72/78/1260387278.db2.gz NJWMSJOLPTYSFX-QXSJWSMHSA-N 2 0 354.495 0.188 20 0 FCADRP O=C1NC2(CO1)CC[NH+](CCCC[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC001337652938 1260448274 /nfs/dbraw/zinc/44/82/74/1260448274.db2.gz GEPFMAUCRJGFQA-UHFFFAOYSA-N 2 0 366.462 0.915 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1C[NH+](C)C ZINC001338031848 1260541255 /nfs/dbraw/zinc/54/12/55/1260541255.db2.gz UIASLROXOFFQRP-KFWWJZLASA-N 3 0 361.481 0.612 20 0 FCADRP COc1ncnc(OC)c1C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277761210 1260666746 /nfs/dbraw/zinc/66/67/46/1260666746.db2.gz AVRQHGFKHQTBOU-GOSISDBHSA-N 2 0 363.462 0.480 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccn4)CC3)[C@H]2C1 ZINC001279172345 1260797130 /nfs/dbraw/zinc/79/71/30/1260797130.db2.gz ATOPGVDHQVDJFC-ROUUACIJSA-N 2 0 357.502 0.656 20 0 FCADRP C[C@@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001279256867 1260813832 /nfs/dbraw/zinc/81/38/32/1260813832.db2.gz LSZHPJFNUKTCFK-HNNXBMFYSA-N 2 0 360.502 0.675 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001279509346 1260881984 /nfs/dbraw/zinc/88/19/84/1260881984.db2.gz YVPOBGMWUBBRJY-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP Cn1c(=O)cccc1C(=O)N1CC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001279614727 1260899272 /nfs/dbraw/zinc/89/92/72/1260899272.db2.gz AXSDUMNGHSWFOK-UHFFFAOYSA-N 2 0 358.486 0.923 20 0 FCADRP Cn1c(=O)cccc1C(=O)N1CC2(C1)C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001279620130 1260901716 /nfs/dbraw/zinc/90/17/16/1260901716.db2.gz JIQMYAJIBACJEC-UHFFFAOYSA-N 2 0 358.486 0.875 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccnc(N4CCOCC4)c3)[C@@H]2C1 ZINC001279668586 1260910492 /nfs/dbraw/zinc/91/04/92/1260910492.db2.gz WXKMLUAPJVUGSO-RBUKOAKNSA-N 2 0 359.518 0.986 20 0 FCADRP COC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)cn1C ZINC001279710165 1260918387 /nfs/dbraw/zinc/91/83/87/1260918387.db2.gz RTWDYESZSZISHV-HUUCEWRRSA-N 2 0 360.458 0.454 20 0 FCADRP Cc1n[nH]cc1C[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279863389 1260946775 /nfs/dbraw/zinc/94/67/75/1260946775.db2.gz RKUIBTYNASUSSN-CRAIPNDOSA-N 2 0 357.462 0.937 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C[C@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892305 1260953446 /nfs/dbraw/zinc/95/34/46/1260953446.db2.gz FUDUBUKMJDIFPR-CRAIPNDOSA-N 2 0 361.490 0.877 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2COCCC23C[NH+](C[C@@H]2CCOC2)C3)CC1 ZINC001279895350 1260954493 /nfs/dbraw/zinc/95/44/93/1260954493.db2.gz ZHIAYTRAANAVEK-WMZOPIPTSA-N 2 0 365.518 0.914 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C4CCN(C)CC4)CC3)[C@@H]2C1 ZINC001280070922 1260989360 /nfs/dbraw/zinc/98/93/60/1260989360.db2.gz FVFOHVOOFVWFBT-QZTJIDSGSA-N 2 0 363.550 0.155 20 0 FCADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001332340409 1266381433 /nfs/dbraw/zinc/38/14/33/1266381433.db2.gz WWXSQTPMWAFYIA-CABCVRRESA-N 2 0 361.490 0.927 20 0 FCADRP COCOCCC[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280088756 1260995315 /nfs/dbraw/zinc/99/53/15/1260995315.db2.gz IMQROMNXAIAQDI-INIZCTEOSA-N 2 0 365.478 0.716 20 0 FCADRP COCOCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280089278 1260996156 /nfs/dbraw/zinc/99/61/56/1260996156.db2.gz SNBBWAQBXHOCAO-CRAIPNDOSA-N 2 0 365.478 0.716 20 0 FCADRP COCOCCC[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280090605 1260996761 /nfs/dbraw/zinc/99/67/61/1260996761.db2.gz WNSJGGHYFHKOFG-NXHRZFHOSA-N 2 0 369.506 0.687 20 0 FCADRP COCOCCC[NH+]1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280090802 1260998459 /nfs/dbraw/zinc/99/84/59/1260998459.db2.gz ZXXWZZMHLIVSEZ-KRWDZBQOSA-N 2 0 369.506 0.546 20 0 FCADRP Cn1nccc1CNC(=O)[C@@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280138345 1261014409 /nfs/dbraw/zinc/01/44/09/1261014409.db2.gz WUOOEHLVCQCJMF-KRWDZBQOSA-N 2 0 361.490 0.374 20 0 FCADRP CN(C)C(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@]12c1ccccc1NC2=O ZINC001280138373 1261014532 /nfs/dbraw/zinc/01/45/32/1261014532.db2.gz XHHGFTUUEIZORI-OXJNMPFZSA-N 2 0 356.470 0.896 20 0 FCADRP Cn1nnnc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001280211481 1261034033 /nfs/dbraw/zinc/03/40/33/1261034033.db2.gz UXJPIVKHZMNZKA-CBBWQLFWSA-N 2 0 361.494 0.885 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213805 1261035559 /nfs/dbraw/zinc/03/55/59/1261035559.db2.gz SDGQJVONQIAVPB-XWTMOSNGSA-N 2 0 362.518 0.905 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2CN(CC[NH+]3CCCC3)C[C@@H](C1)O2 ZINC001280224443 1261039579 /nfs/dbraw/zinc/03/95/79/1261039579.db2.gz SJJFRSCPBQIBRC-OTWHNJEPSA-N 2 0 362.518 0.478 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)[C@@H]2C1 ZINC001280227941 1261040562 /nfs/dbraw/zinc/04/05/62/1261040562.db2.gz MDKYPMCXYZELAT-BZUAXINKSA-N 2 0 357.454 0.969 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(=O)N(C)C)CC1 ZINC001280251499 1261041975 /nfs/dbraw/zinc/04/19/75/1261041975.db2.gz WNULYVXYSZPRGP-IZZQQSIFSA-N 2 0 364.534 0.881 20 0 FCADRP Cc1nc[nH]c1C[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280345097 1261060262 /nfs/dbraw/zinc/06/02/62/1261060262.db2.gz XXYQBFNDACTGGB-HFTRVMKXSA-N 2 0 361.490 0.908 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001332461029 1266410349 /nfs/dbraw/zinc/41/03/49/1266410349.db2.gz AZSVZCFXOGKJDJ-HNNXBMFYSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001580290530 1278097312 /nfs/dbraw/zinc/09/73/12/1278097312.db2.gz JUKNZXJMWUPZOP-RYUDHWBXSA-N 2 0 367.417 0.059 20 0 FCADRP CO[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001289519541 1262235924 /nfs/dbraw/zinc/23/59/24/1262235924.db2.gz HJMFPHUHGNVYES-INMHGKMJSA-N 2 0 365.478 0.120 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001479368906 1263187574 /nfs/dbraw/zinc/18/75/74/1263187574.db2.gz KYCNLSXKYCIYOI-MWQQHZPXSA-N 2 0 350.507 0.727 20 0 FCADRP CCOC(=O)c1cnn2cc(CN(CC[NH+](C)C)CC[NH+](C)C)cnc12 ZINC001308742796 1263219470 /nfs/dbraw/zinc/21/94/70/1263219470.db2.gz MRPWBOHJNYSMPO-UHFFFAOYSA-N 2 0 362.478 0.831 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001312013343 1263270107 /nfs/dbraw/zinc/27/01/07/1263270107.db2.gz RCVRURQXNJWFBA-ROUUACIJSA-N 2 0 368.522 0.776 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001479673215 1263334695 /nfs/dbraw/zinc/33/46/95/1263334695.db2.gz XEJSLKJFNZENBC-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001316698768 1263426958 /nfs/dbraw/zinc/42/69/58/1263426958.db2.gz KPIXUYFNYOSQFD-ILXRZTDVSA-N 2 0 364.494 0.149 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001484742878 1263485193 /nfs/dbraw/zinc/48/51/93/1263485193.db2.gz QWUNKAZNRBMRDF-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1C ZINC001484954942 1263493204 /nfs/dbraw/zinc/49/32/04/1263493204.db2.gz OPNMHDAGJHFMJU-NVXWUHKLSA-N 2 0 363.506 0.512 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385624 1278207055 /nfs/dbraw/zinc/20/70/55/1278207055.db2.gz QSJSVFIJSOKBII-HZSPNIEDSA-N 2 0 370.461 0.284 20 0 FCADRP C(CN1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001319493364 1263700300 /nfs/dbraw/zinc/70/03/00/1263700300.db2.gz FJYQLDGGYZMZGO-WOJBJXKFSA-N 2 0 366.550 0.580 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001320006445 1263753290 /nfs/dbraw/zinc/75/32/90/1263753290.db2.gz WOQMXFLFHGHCQO-VPLLLXJESA-N 2 0 364.534 0.929 20 0 FCADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494597832 1263775429 /nfs/dbraw/zinc/77/54/29/1263775429.db2.gz VEUIXBZTEYQVSC-QRVBRYPASA-N 2 0 361.486 0.387 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001320635286 1263831939 /nfs/dbraw/zinc/83/19/39/1263831939.db2.gz CBKMFSNUXXIQKT-UHFFFAOYSA-N 2 0 363.506 0.816 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC001320952849 1263885861 /nfs/dbraw/zinc/88/58/61/1263885861.db2.gz OMAVHHLGBDPFNJ-ZIAGYGMSSA-N 2 0 362.478 0.687 20 0 FCADRP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC001321081896 1263903655 /nfs/dbraw/zinc/90/36/55/1263903655.db2.gz UYMKQHBVBONFBZ-UHFFFAOYSA-N 2 0 362.478 0.546 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)CC1 ZINC001321082125 1263904014 /nfs/dbraw/zinc/90/40/14/1263904014.db2.gz YAXSXHFBLLMWCZ-GDBMZVCRSA-N 2 0 374.489 0.831 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001321521471 1263982388 /nfs/dbraw/zinc/98/23/88/1263982388.db2.gz RJQIQZXDSVKZTP-CVEARBPZSA-N 2 0 366.506 0.014 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001322042325 1264135948 /nfs/dbraw/zinc/13/59/48/1264135948.db2.gz YRTNWZUUWVDVOK-AWEZNQCLSA-N 2 0 356.430 0.585 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)CC3CC3)CCC2)CC[N@@H+]1C ZINC001501952080 1264157244 /nfs/dbraw/zinc/15/72/44/1264157244.db2.gz IXCNBLFBCCKOMU-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322736162 1264253048 /nfs/dbraw/zinc/25/30/48/1264253048.db2.gz VYMBMMVAZNAGMM-GOSISDBHSA-N 2 0 374.533 0.483 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+]3CCCCC3)CC2)CC[N@@H+]1C ZINC001506083787 1264289499 /nfs/dbraw/zinc/28/94/99/1264289499.db2.gz FTIMBWVBMZKGDT-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322932494 1264295832 /nfs/dbraw/zinc/29/58/32/1264295832.db2.gz YGKPLBLTNWXWHK-LJQANCHMSA-N 2 0 363.506 0.550 20 0 FCADRP O=C(NCC[NH+]1CC=CC1)[C@@H]1CCCC[C@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001323094047 1264337572 /nfs/dbraw/zinc/33/75/72/1264337572.db2.gz QDQCCCRTPQGKDG-QZTJIDSGSA-N 2 0 360.502 0.769 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001324269366 1264607549 /nfs/dbraw/zinc/60/75/49/1264607549.db2.gz ZRJHGXGKFVWBLF-DOTOQJQBSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001512954961 1264769497 /nfs/dbraw/zinc/76/94/97/1264769497.db2.gz KZOWHLIMKRFXIV-HZPDHXFCSA-N 2 0 368.522 0.281 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)ccc1N1CC[NH+](C)CC1 ZINC001325272862 1264832137 /nfs/dbraw/zinc/83/21/37/1264832137.db2.gz OBNCCAMORXWTPC-UHFFFAOYSA-N 2 0 359.474 0.635 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001325307010 1264843718 /nfs/dbraw/zinc/84/37/18/1264843718.db2.gz JANALRYNZVBLMT-ROUUACIJSA-N 2 0 360.502 0.686 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001325428287 1264884478 /nfs/dbraw/zinc/88/44/78/1264884478.db2.gz OAKLSNODYWTENK-ZDUSSCGKSA-N 2 0 370.444 0.969 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001580404158 1278236420 /nfs/dbraw/zinc/23/64/20/1278236420.db2.gz UUDOSCQCROMRSV-GFCCVEGCSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001325681307 1264967710 /nfs/dbraw/zinc/96/77/10/1264967710.db2.gz PJBYQTWHRUEAEA-MRXNPFEDSA-N 2 0 363.510 0.676 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001325681306 1264967745 /nfs/dbraw/zinc/96/77/45/1264967745.db2.gz PJBYQTWHRUEAEA-INIZCTEOSA-N 2 0 363.510 0.676 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC001325727976 1264981171 /nfs/dbraw/zinc/98/11/71/1264981171.db2.gz DTOWNVBECMGCOP-UHFFFAOYSA-N 2 0 373.501 0.252 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001326006790 1265042427 /nfs/dbraw/zinc/04/24/27/1265042427.db2.gz QJBBBVXXZYXFHL-UHFFFAOYSA-N 2 0 364.494 0.742 20 0 FCADRP COc1cccc(C[C@H](O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001326123629 1265062101 /nfs/dbraw/zinc/06/21/01/1265062101.db2.gz HJNSIXFRMCFKNC-LPHOPBHVSA-N 2 0 361.486 0.883 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001326152279 1265069255 /nfs/dbraw/zinc/06/92/55/1265069255.db2.gz ONQOQIATDJPJHN-MRXNPFEDSA-N 2 0 360.502 0.924 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326278019 1265091535 /nfs/dbraw/zinc/09/15/35/1265091535.db2.gz POCVCQUPELDDJE-GJZGRUSLSA-N 2 0 361.490 0.297 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cccn3C3CC[NH2+]CC3)C2)nn1 ZINC001326597941 1265139942 /nfs/dbraw/zinc/13/99/42/1265139942.db2.gz IYFKUGANUBRIEE-INIZCTEOSA-N 2 0 357.462 0.940 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001327318723 1265284362 /nfs/dbraw/zinc/28/43/62/1265284362.db2.gz KZWZOCLWJAKERR-HZPDHXFCSA-N 2 0 368.522 0.593 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC001327456954 1265329577 /nfs/dbraw/zinc/32/95/77/1265329577.db2.gz FEODTJMVCMSGLQ-QGZVFWFLSA-N 2 0 360.458 0.762 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cnnn1C1CC[NH2+]CC1 ZINC001327563408 1265359411 /nfs/dbraw/zinc/35/94/11/1265359411.db2.gz RMFCCGVESDOPJQ-UHFFFAOYSA-N 2 0 362.478 0.577 20 0 FCADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001327613739 1265374036 /nfs/dbraw/zinc/37/40/36/1265374036.db2.gz OZBDWQMZWNOERU-DLBZAZTESA-N 2 0 366.506 0.191 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332673246 1266458456 /nfs/dbraw/zinc/45/84/56/1266458456.db2.gz SXDGCCSHDHSTHV-FCEWJHQRSA-N 2 0 366.506 0.047 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001333641605 1266663753 /nfs/dbraw/zinc/66/37/53/1266663753.db2.gz BEEFAZMTAYCSGB-MRXNPFEDSA-N 2 0 359.474 0.380 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+](C)CCCO)CC1 ZINC001333703733 1266683424 /nfs/dbraw/zinc/68/34/24/1266683424.db2.gz RLDMMQSARBNKAR-INIZCTEOSA-N 2 0 351.499 0.440 20 0 FCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC2(CCC2)C1 ZINC001333732347 1266695665 /nfs/dbraw/zinc/69/56/65/1266695665.db2.gz MLLMFAGWXGABSM-MRXNPFEDSA-N 2 0 350.507 0.561 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001334062548 1266801576 /nfs/dbraw/zinc/80/15/76/1266801576.db2.gz GSNIGKBBQZNNHC-PKOBYXMFSA-N 2 0 355.523 0.238 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099762 1266944126 /nfs/dbraw/zinc/94/41/26/1266944126.db2.gz FGUJMXJOIYCCKR-ROUUACIJSA-N 2 0 363.550 0.251 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001529430757 1267061128 /nfs/dbraw/zinc/06/11/28/1267061128.db2.gz UWJUJQXIJQXGLS-BZUAXINKSA-N 2 0 361.490 0.973 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001580447361 1278311457 /nfs/dbraw/zinc/31/14/57/1278311457.db2.gz YCOCYUWFQQBNCF-STQMWFEESA-N 2 0 358.450 0.284 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001335093732 1267332229 /nfs/dbraw/zinc/33/22/29/1267332229.db2.gz SWAODRZOGCEBRU-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001542692049 1267504569 /nfs/dbraw/zinc/50/45/69/1267504569.db2.gz UDDNFYMMLIKQTG-ZWKOTPCHSA-N 3 0 354.539 0.829 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937095 1267774360 /nfs/dbraw/zinc/77/43/60/1267774360.db2.gz FDHCOWXTCYVICR-GXTWGEPZSA-N 2 0 358.450 0.404 20 0 FCADRP CS(=O)(=O)C1(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC[NH2+]CC1 ZINC001549045547 1267795238 /nfs/dbraw/zinc/79/52/38/1267795238.db2.gz DCYIGWBAKOCDBK-SECBINFHSA-N 2 0 358.489 0.064 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC001549047668 1267795449 /nfs/dbraw/zinc/79/54/49/1267795449.db2.gz VZELBGXNDVMOLM-OAGGEKHMSA-N 2 0 362.478 0.561 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC001549134808 1267820218 /nfs/dbraw/zinc/82/02/18/1267820218.db2.gz SAYFUSSZMFOUEO-VIPLHTEESA-N 2 0 362.518 0.907 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001549215504 1267858923 /nfs/dbraw/zinc/85/89/23/1267858923.db2.gz RUNSYHGZJVVZRD-KURKYZTESA-N 2 0 373.501 0.629 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1=O ZINC001549296710 1267893748 /nfs/dbraw/zinc/89/37/48/1267893748.db2.gz SPVNZKDJOWDAHZ-KURKYZTESA-N 2 0 358.486 0.658 20 0 FCADRP [NH3+]C1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCOCC1 ZINC001549302430 1267897877 /nfs/dbraw/zinc/89/78/77/1267897877.db2.gz QZORLTHMZTZPCJ-CQSZACIVSA-N 2 0 362.478 0.033 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001338522155 1267972138 /nfs/dbraw/zinc/97/21/38/1267972138.db2.gz XOQLBRLRRUQYCA-INIZCTEOSA-N 2 0 353.511 0.761 20 0 FCADRP c1nn2c(c1C[N@@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CNCC2 ZINC001549754968 1267989278 /nfs/dbraw/zinc/98/92/78/1267989278.db2.gz XPEIJHGLELTPOA-OAHLLOKOSA-N 2 0 370.505 0.499 20 0 FCADRP O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338695963 1268046269 /nfs/dbraw/zinc/04/62/69/1268046269.db2.gz JODMSZAIARBFAV-MWIANEHASA-N 2 0 364.490 0.401 20 0 FCADRP CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001550064374 1268068370 /nfs/dbraw/zinc/06/83/70/1268068370.db2.gz FGFNUDDPOAPOSR-VQHPVUNQSA-N 2 0 363.506 0.463 20 0 FCADRP O=C(NC[C@@H]1CC12CC[NH2+]CC2)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001550083540 1268071144 /nfs/dbraw/zinc/07/11/44/1268071144.db2.gz ZYPRQGWEGOBCDD-QWRGUYRKSA-N 2 0 354.405 0.870 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C(F)(F)F)CC2)C1=O ZINC001550092403 1268072872 /nfs/dbraw/zinc/07/28/72/1268072872.db2.gz FLQOMTBDQXYONY-AGIUHOORSA-N 2 0 362.396 0.196 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@H](C[NH3+])c3ccccc32)nn1 ZINC001550120375 1268078454 /nfs/dbraw/zinc/07/84/54/1268078454.db2.gz NBLVYMJOCJPVCA-JCKWVBRZSA-N 2 0 370.457 0.459 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)nn1 ZINC001550269790 1268101618 /nfs/dbraw/zinc/10/16/18/1268101618.db2.gz IOMDKJOPDRYPCJ-QGZVFWFLSA-N 2 0 361.494 0.815 20 0 FCADRP C[C@H](CCC(=O)NC[C@@H]1CC[N@H+](C)C1)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001338824620 1268102145 /nfs/dbraw/zinc/10/21/45/1268102145.db2.gz NPZIPIRLXHSUPZ-IKGGRYGDSA-N 2 0 352.523 0.929 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC001550409735 1268113088 /nfs/dbraw/zinc/11/30/88/1268113088.db2.gz FCSWFWHRNGRTLD-MTNOOBJLSA-N 2 0 353.507 0.933 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001550478238 1268124864 /nfs/dbraw/zinc/12/48/64/1268124864.db2.gz MHWSUPYCDPQBCJ-DWRORGKVSA-N 2 0 363.506 0.654 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001550484893 1268127462 /nfs/dbraw/zinc/12/74/62/1268127462.db2.gz MFHGDEAXETVDQY-BOSXTWCSSA-N 2 0 367.534 0.941 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550542137 1268129824 /nfs/dbraw/zinc/12/98/24/1268129824.db2.gz LHQOSZLEYZJSGF-IKGGRYGDSA-N 2 0 358.490 0.397 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550542136 1268130519 /nfs/dbraw/zinc/13/05/19/1268130519.db2.gz LHQOSZLEYZJSGF-BRWVUGGUSA-N 2 0 358.490 0.397 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550725089 1268155493 /nfs/dbraw/zinc/15/54/93/1268155493.db2.gz YYJSVBBREHZILA-YDRHNJASSA-N 2 0 361.490 0.781 20 0 FCADRP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912596 1268183889 /nfs/dbraw/zinc/18/38/89/1268183889.db2.gz IMBLQCNHRXTOOQ-RDTXWAMCSA-N 2 0 364.515 0.909 20 0 FCADRP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912589 1268183997 /nfs/dbraw/zinc/18/39/97/1268183997.db2.gz IMBLQCNHRXTOOQ-KBXCAEBGSA-N 2 0 364.515 0.909 20 0 FCADRP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550912525 1268184021 /nfs/dbraw/zinc/18/40/21/1268184021.db2.gz IWIWFPXANJLWBM-FUHWJXTLSA-N 2 0 365.499 0.827 20 0 FCADRP COc1ccc(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550911828 1268184218 /nfs/dbraw/zinc/18/42/18/1268184218.db2.gz GEOVEZGROYDFAK-VQIMIIECSA-N 2 0 360.458 0.870 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913695 1268184281 /nfs/dbraw/zinc/18/42/81/1268184281.db2.gz PAONFYGXTHJULW-SOLBZPMBSA-N 2 0 351.491 0.951 20 0 FCADRP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550911698 1268184478 /nfs/dbraw/zinc/18/44/78/1268184478.db2.gz FJNROOHKJQCJBS-PXNSSMCTSA-N 2 0 358.486 0.848 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001339205876 1268185975 /nfs/dbraw/zinc/18/59/75/1268185975.db2.gz FCDOOFSBGUDKFV-SFHVURJKSA-N 2 0 358.486 0.979 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@@H](C)[NH+]1CCO ZINC001550979692 1268187671 /nfs/dbraw/zinc/18/76/71/1268187671.db2.gz CLAMSNCWWRHSQK-BFYDXBDKSA-N 2 0 354.495 0.336 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)CC1 ZINC001551276665 1268220785 /nfs/dbraw/zinc/22/07/85/1268220785.db2.gz HHCSWKYPPZCZNM-VZDIDWBNSA-N 2 0 366.506 0.480 20 0 FCADRP C[NH+]1CCC(O)(CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001551288887 1268223179 /nfs/dbraw/zinc/22/31/79/1268223179.db2.gz QZRSCASECFVMLL-UHFFFAOYSA-N 2 0 368.522 0.776 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551283647 1268223376 /nfs/dbraw/zinc/22/33/76/1268223376.db2.gz USPFIETXCFXRHS-VJFUWPCTSA-N 2 0 354.495 0.386 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001339417226 1268233018 /nfs/dbraw/zinc/23/30/18/1268233018.db2.gz ROUPMBPEOKXAAW-KRWDZBQOSA-N 2 0 365.522 0.809 20 0 FCADRP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551494296 1268261401 /nfs/dbraw/zinc/26/14/01/1268261401.db2.gz GJFHOMYMFJOYPN-GTACMHHNSA-N 2 0 360.458 1.000 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC001551498056 1268261835 /nfs/dbraw/zinc/26/18/35/1268261835.db2.gz PHRJAAXHPSXZIE-UHFFFAOYSA-N 2 0 354.495 0.827 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C[C@H]1C[NH+](C)C ZINC001551501959 1268262094 /nfs/dbraw/zinc/26/20/94/1268262094.db2.gz GHXDCJCQIKATPI-JFRXWTBNSA-N 3 0 359.518 0.992 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551554517 1268266361 /nfs/dbraw/zinc/26/63/61/1268266361.db2.gz KHRZIVZJQGQDQU-KCQAQPDRSA-N 2 0 373.448 0.177 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551554519 1268266551 /nfs/dbraw/zinc/26/65/51/1268266551.db2.gz KHRZIVZJQGQDQU-YDHLFZDLSA-N 2 0 373.448 0.177 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556709 1268268834 /nfs/dbraw/zinc/26/88/34/1268268834.db2.gz STKBQELHMZQHPZ-VYDXJSESSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001551558311 1268270340 /nfs/dbraw/zinc/27/03/40/1268270340.db2.gz YHPOGFBRBKIPSW-KVSKMBFKSA-N 2 0 363.506 0.561 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551559862 1268270666 /nfs/dbraw/zinc/27/06/66/1268270666.db2.gz JTTDLLYBXBTDPJ-BPLDGKMQSA-N 2 0 363.428 0.464 20 0 FCADRP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551560017 1268271116 /nfs/dbraw/zinc/27/11/16/1268271116.db2.gz HKFJRASBJJRZMM-NVXWUHKLSA-N 2 0 365.522 0.664 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H](C)[N@H+]1C ZINC001551563824 1268272429 /nfs/dbraw/zinc/27/24/29/1268272429.db2.gz SBQUPSXXQDQPQK-IARIHHJXSA-N 2 0 351.495 0.367 20 0 FCADRP CC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551568566 1268273634 /nfs/dbraw/zinc/27/36/34/1268273634.db2.gz JMTWJPVJUOMSMN-DOTOQJQBSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551576930 1268275173 /nfs/dbraw/zinc/27/51/73/1268275173.db2.gz KUPSPJIQFMFUJW-GUSZCTEKSA-N 2 0 351.495 0.402 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551576869 1268275216 /nfs/dbraw/zinc/27/52/16/1268275216.db2.gz KKYNCUGGTNHIJO-UXLLHSPISA-N 2 0 351.495 0.417 20 0 FCADRP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551576171 1268275335 /nfs/dbraw/zinc/27/53/35/1268275335.db2.gz HNXXFQFUBNQJLW-MJGOQNOKSA-N 2 0 373.501 0.852 20 0 FCADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551585364 1268279960 /nfs/dbraw/zinc/27/99/60/1268279960.db2.gz ATUZEOSQUKVIKA-NYCLONFESA-N 2 0 365.522 0.757 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551586264 1268279969 /nfs/dbraw/zinc/27/99/69/1268279969.db2.gz CAYYUNKYISFNHE-RYRKJORJSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001551593012 1268280992 /nfs/dbraw/zinc/28/09/92/1268280992.db2.gz NUFCXDDIXDMMBH-XYJFISCASA-N 2 0 363.506 0.513 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551588801 1268281120 /nfs/dbraw/zinc/28/11/20/1268281120.db2.gz GSOZZCNTCZMPCW-SJLPKXTDSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC001339854653 1268348962 /nfs/dbraw/zinc/34/89/62/1268348962.db2.gz IPFGLNATURTLKA-IIDMSEBBSA-N 2 0 372.469 0.922 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552109589 1268376691 /nfs/dbraw/zinc/37/66/91/1268376691.db2.gz VFBXBTQHMVNUIE-GVDBMIGSSA-N 2 0 354.495 0.384 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)nn1 ZINC001552162458 1268396323 /nfs/dbraw/zinc/39/63/23/1268396323.db2.gz CIKQVYKYEXXLDQ-NVXWUHKLSA-N 2 0 356.430 0.264 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC001552167303 1268399180 /nfs/dbraw/zinc/39/91/80/1268399180.db2.gz YNTWLHVJEOHONT-SZMVWBNQSA-N 2 0 363.506 0.505 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552167887 1268399215 /nfs/dbraw/zinc/39/92/15/1268399215.db2.gz VJQOJJLXCCMWKQ-MRXNPFEDSA-N 2 0 355.446 0.602 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC001552184426 1268404859 /nfs/dbraw/zinc/40/48/59/1268404859.db2.gz CJYUZZHFJUWDHE-IPYPFGDCSA-N 2 0 363.428 0.593 20 0 FCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552200641 1268408519 /nfs/dbraw/zinc/40/85/19/1268408519.db2.gz SOQHUPXBBFZOSA-OXQOHEQNSA-N 2 0 372.469 0.558 20 0 FCADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC[NH+](Cc2ccccc2)CC1 ZINC001552205524 1268409417 /nfs/dbraw/zinc/40/94/17/1268409417.db2.gz ZQDJGMVBGAFXQZ-FXAWDEMLSA-N 3 0 358.486 0.332 20 0 FCADRP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552202571 1268409459 /nfs/dbraw/zinc/40/94/59/1268409459.db2.gz KCCOHLKPUCBFKA-UYAOXDASSA-N 2 0 358.486 0.286 20 0 FCADRP O=C(N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552217578 1268413319 /nfs/dbraw/zinc/41/33/19/1268413319.db2.gz SZINTTPXVNFWBC-PMUMKWKESA-N 2 0 362.499 0.850 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234457 1268417839 /nfs/dbraw/zinc/41/78/39/1268417839.db2.gz BYBLWKYXHFLYBM-DOTOQJQBSA-N 2 0 369.473 0.970 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C2(C[NH3+])CCCCC2)nn1 ZINC001552283774 1268432044 /nfs/dbraw/zinc/43/20/44/1268432044.db2.gz UPAGEFNENHSGAH-DZGCQCFKSA-N 2 0 350.467 0.100 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283888 1268433332 /nfs/dbraw/zinc/43/33/32/1268433332.db2.gz VIOWFZLBOSEXPL-HBXLWWENSA-N 2 0 365.518 0.960 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111433 1268438533 /nfs/dbraw/zinc/43/85/33/1268438533.db2.gz CAWGPQRNYZRSDH-FPOVZHCZSA-N 2 0 374.529 0.986 20 0 FCADRP Cc1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435276 1268462517 /nfs/dbraw/zinc/46/25/17/1268462517.db2.gz CXTVTEHMIDXUIX-GDBMZVCRSA-N 2 0 361.494 0.019 20 0 FCADRP Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552438534 1268464220 /nfs/dbraw/zinc/46/42/20/1268464220.db2.gz MPJCWWSXIICKMY-HZPDHXFCSA-N 2 0 362.478 0.448 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340239701 1268481571 /nfs/dbraw/zinc/48/15/71/1268481571.db2.gz BBEFUOGGAMDHHE-QRWLVFNGSA-N 2 0 360.502 0.938 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC001340251495 1268486018 /nfs/dbraw/zinc/48/60/18/1268486018.db2.gz XZVBPHVBBXVDAI-CZUORRHYSA-N 2 0 359.474 0.264 20 0 FCADRP [NH3+]CCNCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001340248231 1268486844 /nfs/dbraw/zinc/48/68/44/1268486844.db2.gz HRQZVHXANNCNLJ-UHFFFAOYSA-N 2 0 368.485 0.891 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1n1ccnn1 ZINC001552610479 1268492561 /nfs/dbraw/zinc/49/25/61/1268492561.db2.gz RCZNLHYSVHZKJO-IAGOWNOFSA-N 2 0 361.494 0.792 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001552652798 1268510048 /nfs/dbraw/zinc/51/00/48/1268510048.db2.gz OOIFKABZYOFCFT-ZIAGYGMSSA-N 2 0 361.454 0.055 20 0 FCADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21 ZINC001552698801 1268523404 /nfs/dbraw/zinc/52/34/04/1268523404.db2.gz VAJFKFORAVFQKG-GOEBONIOSA-N 2 0 359.474 0.717 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C[C@@H]1C[NH+](C)C ZINC001552699571 1268524089 /nfs/dbraw/zinc/52/40/89/1268524089.db2.gz PFZWXBKIXOHFNC-HOTGVXAUSA-N 3 0 362.522 0.688 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)C1 ZINC001552800243 1268549950 /nfs/dbraw/zinc/54/99/50/1268549950.db2.gz XSYCXHVAKMDPDN-BRWVUGGUSA-N 2 0 363.510 0.895 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1n1ccnn1 ZINC001552801991 1268551071 /nfs/dbraw/zinc/55/10/71/1268551071.db2.gz XBRQCNMCWNPPHD-QHEDDYRISA-N 2 0 361.494 0.790 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001552839924 1268557839 /nfs/dbraw/zinc/55/78/39/1268557839.db2.gz OFCDWEXPQJAEDH-PWSUYJOCSA-N 2 0 354.405 0.964 20 0 FCADRP Cn1cc([C@@H]2[C@@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976179 1268572082 /nfs/dbraw/zinc/57/20/82/1268572082.db2.gz OPOVONCGQKJUML-QAPCUYQASA-N 2 0 362.522 0.413 20 0 FCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405048 1268646123 /nfs/dbraw/zinc/64/61/23/1268646123.db2.gz CVAPQVPJHCWVRT-FHWLQOOXSA-N 2 0 358.486 0.570 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@]4([NH3+])C3)cn2)CC1 ZINC001553429176 1268649215 /nfs/dbraw/zinc/64/92/15/1268649215.db2.gz VUHNUWKMWQLTMT-APWZRJJASA-N 2 0 358.490 0.856 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450243 1268653296 /nfs/dbraw/zinc/65/32/96/1268653296.db2.gz ITFIGLJHLBAEOG-RDJZCZTQSA-N 2 0 365.522 0.223 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001553456535 1268654050 /nfs/dbraw/zinc/65/40/50/1268654050.db2.gz CPAYRXWRLYBURU-HNAYVOBHSA-N 2 0 365.522 0.746 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553455497 1268654352 /nfs/dbraw/zinc/65/43/52/1268654352.db2.gz YLSKMSZJFMTXDO-KSZLIROESA-N 2 0 365.522 0.176 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CC1(C)C ZINC001553482653 1268658523 /nfs/dbraw/zinc/65/85/23/1268658523.db2.gz VBLQBZSAFJLHTB-HNNXBMFYSA-N 2 0 353.511 0.080 20 0 FCADRP [NH3+][C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507171 1268660829 /nfs/dbraw/zinc/66/08/29/1268660829.db2.gz JWZQVTDHUSLBPU-CVEARBPZSA-N 2 0 352.479 0.389 20 0 FCADRP C[C@H](NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001553518127 1268662461 /nfs/dbraw/zinc/66/24/61/1268662461.db2.gz MEPQTCPLNYHVFZ-YLQAJVPDSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@H]1C[NH2+]CC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553546590 1268666647 /nfs/dbraw/zinc/66/66/47/1268666647.db2.gz HYIFQIMUCIWDSK-HOTGVXAUSA-N 2 0 365.522 0.747 20 0 FCADRP O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553544797 1268667298 /nfs/dbraw/zinc/66/72/98/1268667298.db2.gz CHBAANKYSXHGJY-RDGPPVDQSA-N 3 0 361.534 0.985 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001340879606 1268691355 /nfs/dbraw/zinc/69/13/55/1268691355.db2.gz HYSFDQCBYRGMKC-GOSISDBHSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001340895540 1268697328 /nfs/dbraw/zinc/69/73/28/1268697328.db2.gz PNTOMYLOOBCXJE-UHFFFAOYSA-N 2 0 372.473 0.348 20 0 FCADRP [NH3+]C1(CNC(=O)CNC(=O)N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001341101765 1268784168 /nfs/dbraw/zinc/78/41/68/1268784168.db2.gz FVIILLBDVDVYSC-UHFFFAOYSA-N 2 0 373.501 0.902 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001341118366 1268793352 /nfs/dbraw/zinc/79/33/52/1268793352.db2.gz MLGQHVHSKXRWQO-JZXOWHBKSA-N 2 0 352.523 0.974 20 0 FCADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCC([NH2+]C2CCC2)CC1 ZINC001580518949 1278442079 /nfs/dbraw/zinc/44/20/79/1278442079.db2.gz QTMAHNVZZPEVGG-DAXOMENPSA-N 2 0 355.504 0.142 20 0 FCADRP CCC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC001341293308 1268921481 /nfs/dbraw/zinc/92/14/81/1268921481.db2.gz FNCZLZBNMRTULG-WBVHZDCISA-N 2 0 356.511 0.435 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001341443988 1269000301 /nfs/dbraw/zinc/00/03/01/1269000301.db2.gz DIMFONVEGOVDFL-HZPDHXFCSA-N 2 0 368.522 0.281 20 0 FCADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001341579056 1269092850 /nfs/dbraw/zinc/09/28/50/1269092850.db2.gz GSRXCTRQXZMFMF-DUVNUKRYSA-N 2 0 360.462 0.754 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC001341717056 1269167022 /nfs/dbraw/zinc/16/70/22/1269167022.db2.gz MCTGRFKQLUBBAV-KSSFIOAISA-N 2 0 362.474 0.832 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844832 1269243665 /nfs/dbraw/zinc/24/36/65/1269243665.db2.gz LOSAHYSOWCQCPF-MJGOQNOKSA-N 3 0 371.529 0.484 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001342091609 1269342468 /nfs/dbraw/zinc/34/24/68/1269342468.db2.gz YUTGYPRQJIFLTK-SJORKVTESA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001563599308 1269394295 /nfs/dbraw/zinc/39/42/95/1269394295.db2.gz NMYWEHDAZLAQQY-MRXNPFEDSA-N 2 0 355.527 0.158 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037539 1269405538 /nfs/dbraw/zinc/40/55/38/1269405538.db2.gz OIOBTCXPTJPQAC-SJORKVTESA-N 2 0 355.527 0.016 20 0 FCADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001342271916 1269413747 /nfs/dbraw/zinc/41/37/47/1269413747.db2.gz PUWGPLZBXCSQFE-LZWOXQAQSA-N 2 0 357.376 0.890 20 0 FCADRP O=C(CN[C@H](CCO)c1ccccc1Br)N1CC[NH2+]CC1 ZINC001580553619 1278485253 /nfs/dbraw/zinc/48/52/53/1278485253.db2.gz YXBIDLBXKLONHJ-CQSZACIVSA-N 2 0 356.264 0.894 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001572781222 1270134215 /nfs/dbraw/zinc/13/42/15/1270134215.db2.gz SPJYIFNWNOKNAD-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001573518850 1270805936 /nfs/dbraw/zinc/80/59/36/1270805936.db2.gz VDAKLKCNYKRYKA-MRXNPFEDSA-N 2 0 350.511 0.733 20 0 FCADRP CC(C)[C@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573972766 1270965854 /nfs/dbraw/zinc/96/58/54/1270965854.db2.gz FHHFPYBOUKBMKJ-MRXNPFEDSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028270 1271009945 /nfs/dbraw/zinc/00/99/45/1271009945.db2.gz PMFAAWLNKWZCGR-DOMZBBRYSA-N 2 0 358.450 0.188 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251510 1271119905 /nfs/dbraw/zinc/11/99/05/1271119905.db2.gz GKUJDYGOGKZSNX-UHFFFAOYSA-N 2 0 358.450 0.425 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574254407 1271123222 /nfs/dbraw/zinc/12/32/22/1271123222.db2.gz FXQZXVGPQACMGD-IUODEOHRSA-N 2 0 358.450 0.283 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574264178 1271141811 /nfs/dbraw/zinc/14/18/11/1271141811.db2.gz BPCFRHYVHBPNQE-JOCQHMNTSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288016 1271162142 /nfs/dbraw/zinc/16/21/42/1271162142.db2.gz DDLAVEUZZXVULT-DVOMOZLQSA-N 2 0 370.461 0.616 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289083 1271165213 /nfs/dbraw/zinc/16/52/13/1271165213.db2.gz VQCVHSILMPXCMJ-INIZCTEOSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574670743 1271471567 /nfs/dbraw/zinc/47/15/67/1271471567.db2.gz BOUWDUXKVAHMQY-CYBMUJFWSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574672665 1271476637 /nfs/dbraw/zinc/47/66/37/1271476637.db2.gz YBOCNQSYPIZCMM-OLZOCXBDSA-N 2 0 358.450 0.332 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001580654890 1278640058 /nfs/dbraw/zinc/64/00/58/1278640058.db2.gz PUDHYEAJLYIDRK-HUUCEWRRSA-N 2 0 350.467 0.169 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574803664 1271540980 /nfs/dbraw/zinc/54/09/80/1271540980.db2.gz GIEBNXSJNRZCFI-GFCCVEGCSA-N 2 0 356.434 0.298 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574832412 1271579118 /nfs/dbraw/zinc/57/91/18/1271579118.db2.gz UVHQQUMGBAPBCB-CJNGLKHVSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574854714 1271608864 /nfs/dbraw/zinc/60/88/64/1271608864.db2.gz UTTPIVVOQLTFOG-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870696 1271621285 /nfs/dbraw/zinc/62/12/85/1271621285.db2.gz CTDYRYNZTRBANZ-XHDPSFHLSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875659 1271630737 /nfs/dbraw/zinc/63/07/37/1271630737.db2.gz YAIJBYNNLBBTRV-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876314 1271632938 /nfs/dbraw/zinc/63/29/38/1271632938.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877969 1271639701 /nfs/dbraw/zinc/63/97/01/1271639701.db2.gz UEVAUSKCGQCOOV-AAEUAGOBSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574884909 1271641530 /nfs/dbraw/zinc/64/15/30/1271641530.db2.gz IHMCLASKYNRFNT-DOMZBBRYSA-N 2 0 370.461 0.544 20 0 FCADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895992 1271657045 /nfs/dbraw/zinc/65/70/45/1271657045.db2.gz BESAWWYZLIXICE-NWDGAFQWSA-N 2 0 363.491 0.864 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001575186100 1271772794 /nfs/dbraw/zinc/77/27/94/1271772794.db2.gz BVHFFRJUGRFYRJ-YOEHRIQHSA-N 2 0 355.479 0.859 20 0 FCADRP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCC2([NH3+])CC2)CC1 ZINC001575214808 1271795201 /nfs/dbraw/zinc/79/52/01/1271795201.db2.gz HGBCPHWKDOWXKA-UHFFFAOYSA-N 2 0 355.483 0.766 20 0 FCADRP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001575217686 1271796777 /nfs/dbraw/zinc/79/67/77/1271796777.db2.gz BNJPCZBWVFLZHK-JXQTWKCFSA-N 2 0 352.479 0.842 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575390400 1272038275 /nfs/dbraw/zinc/03/82/75/1272038275.db2.gz ZRXPSBBYAKKWAI-NEPJUHHUSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391184 1272038455 /nfs/dbraw/zinc/03/84/55/1272038455.db2.gz HEEXAWQISPENEG-KBPBESRZSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575393831 1272039406 /nfs/dbraw/zinc/03/94/06/1272039406.db2.gz XXKYTWJXYNBYMY-RYUDHWBXSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001575430305 1272098722 /nfs/dbraw/zinc/09/87/22/1272098722.db2.gz CWDZGHGAZVJXNP-CZUORRHYSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001575437367 1272106581 /nfs/dbraw/zinc/10/65/81/1272106581.db2.gz AMTLYYPDTGGANN-KBPBESRZSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](C[C@H](C)[NH2+]Cc1cnn[nH]1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575509463 1272173595 /nfs/dbraw/zinc/17/35/95/1272173595.db2.gz IGPDMJKCLRHHTD-KBPBESRZSA-N 2 0 352.483 0.536 20 0 FCADRP CC(C)[N@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575682370 1272293868 /nfs/dbraw/zinc/29/38/68/1272293868.db2.gz NZJHJGMWRZPKHI-HNNXBMFYSA-N 2 0 363.510 0.782 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CC2([NH3+])COC2)CC1 ZINC001575698950 1272320638 /nfs/dbraw/zinc/32/06/38/1272320638.db2.gz AGDCTJIBZICBMV-HNNXBMFYSA-N 2 0 364.494 0.430 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1CC[NH+]1CCCCC1 ZINC001575716955 1272363802 /nfs/dbraw/zinc/36/38/02/1272363802.db2.gz WXIFSPSRWWFBKS-HNNXBMFYSA-N 2 0 363.510 0.830 20 0 FCADRP C[C@H](C[NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001575995035 1272665561 /nfs/dbraw/zinc/66/55/61/1272665561.db2.gz CNYMCHYWAWNAQX-UKRRQHHQSA-N 2 0 361.494 0.356 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576116809 1272912409 /nfs/dbraw/zinc/91/24/09/1272912409.db2.gz YQZGWQOUKZLQBV-YXSUXZIUSA-N 2 0 370.461 0.616 20 0 FCADRP CC1(C)CC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)CC(C)(C)[NH2+]1 ZINC001576396057 1273234605 /nfs/dbraw/zinc/23/46/05/1273234605.db2.gz VADZSIJYXZUFDX-BNOWGMLFSA-N 2 0 357.520 0.435 20 0 FCADRP CC[C@H](C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576488545 1273337497 /nfs/dbraw/zinc/33/74/97/1273337497.db2.gz ANZOUXXGBFHZFI-CZUORRHYSA-N 2 0 372.477 0.674 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)[NH+](C)C ZINC001576490491 1273343382 /nfs/dbraw/zinc/34/33/82/1273343382.db2.gz MNXDNJVMKVRYSD-HUUCEWRRSA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491020 1273344118 /nfs/dbraw/zinc/34/41/18/1273344118.db2.gz RMMXOEGVHXKQKJ-WFASDCNBSA-N 2 0 358.450 0.284 20 0 FCADRP CC[C@@H](C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491368 1273346145 /nfs/dbraw/zinc/34/61/45/1273346145.db2.gz XQYLVVQXKQCVCD-CJNGLKHVSA-N 2 0 372.477 0.735 20 0 FCADRP CC[C@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576491527 1273347264 /nfs/dbraw/zinc/34/72/64/1273347264.db2.gz DHVKXQZYHJNCJY-CZUORRHYSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@@H](C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576496845 1273354742 /nfs/dbraw/zinc/35/47/42/1273354742.db2.gz AEXXXLKUDLDHSP-HNNXBMFYSA-N 2 0 372.477 0.995 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576497892 1273355745 /nfs/dbraw/zinc/35/57/45/1273355745.db2.gz HPOLXQBJWZCHDT-IAQYHMDHSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576497893 1273356406 /nfs/dbraw/zinc/35/64/06/1273356406.db2.gz HPOLXQBJWZCHDT-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576498387 1273358546 /nfs/dbraw/zinc/35/85/46/1273358546.db2.gz KSHXCUMKDCSKDF-ZYHUDNBSSA-N 2 0 351.480 0.863 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499973 1273363068 /nfs/dbraw/zinc/36/30/68/1273363068.db2.gz VKTXFZDKUHXTNZ-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576499949 1273363676 /nfs/dbraw/zinc/36/36/76/1273363676.db2.gz VDPAXSPZWFDCHL-TZMCWYRMSA-N 2 0 358.450 0.605 20 0 FCADRP CC[C@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576500831 1273365660 /nfs/dbraw/zinc/36/56/60/1273365660.db2.gz ZQFNYQWYAWUSQE-LSDHHAIUSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576505408 1273372194 /nfs/dbraw/zinc/37/21/94/1273372194.db2.gz GQMCLOSDRVQUOB-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576505206 1273372507 /nfs/dbraw/zinc/37/25/07/1273372507.db2.gz FJWWUYKFIVIDAP-ZBFHGGJFSA-N 2 0 374.493 0.967 20 0 FCADRP CC[C@H](C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576506651 1273377852 /nfs/dbraw/zinc/37/78/52/1273377852.db2.gz RADCBHFGHRGBOB-SWLSCSKDSA-N 2 0 360.466 0.721 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576507109 1273377913 /nfs/dbraw/zinc/37/79/13/1273377913.db2.gz VSRYJRQZYKJHKS-OAGGEKHMSA-N 2 0 372.477 0.863 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576507090 1273378327 /nfs/dbraw/zinc/37/83/27/1273378327.db2.gz VFPLGFHCXIQUOY-TYNCELHUSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576508286 1273380625 /nfs/dbraw/zinc/38/06/25/1273380625.db2.gz GVLCJCDFFMPLAJ-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP C[C@@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC001576510965 1273383802 /nfs/dbraw/zinc/38/38/02/1273383802.db2.gz KBTYCDCAWUEFCX-SFHVURJKSA-N 2 0 354.495 0.555 20 0 FCADRP CC[N@H+](C)CCC(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCOC)CC1 ZINC001576517824 1273402342 /nfs/dbraw/zinc/40/23/42/1273402342.db2.gz UXVCCHCRLYDJGH-UHFFFAOYSA-N 2 0 352.483 0.586 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+]Cc3cnn[nH]3)CCCCC2)n1 ZINC001576750148 1273618928 /nfs/dbraw/zinc/61/89/28/1273618928.db2.gz MTAJDOGXBIELAR-UHFFFAOYSA-N 2 0 374.493 0.785 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3cn[nH]n3)CC2)cn1 ZINC001576749526 1273619317 /nfs/dbraw/zinc/61/93/17/1273619317.db2.gz HJLBRBZNZXNNES-MRXNPFEDSA-N 2 0 374.493 0.390 20 0 FCADRP C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC001576772340 1273650614 /nfs/dbraw/zinc/65/06/14/1273650614.db2.gz MFXMEDDQGNEANA-HOTGVXAUSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC001576772339 1273651205 /nfs/dbraw/zinc/65/12/05/1273651205.db2.gz MFXMEDDQGNEANA-CVEARBPZSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001576802181 1273707770 /nfs/dbraw/zinc/70/77/70/1273707770.db2.gz WKEZRFRBIGTWCJ-GJZGRUSLSA-N 2 0 354.495 0.982 20 0 FCADRP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001576802188 1273708551 /nfs/dbraw/zinc/70/85/51/1273708551.db2.gz WKEZRFRBIGTWCJ-LSDHHAIUSA-N 2 0 354.495 0.982 20 0 FCADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576818074 1273739936 /nfs/dbraw/zinc/73/99/36/1273739936.db2.gz XHSARCCVVPLNLS-CQSZACIVSA-N 2 0 363.441 0.942 20 0 FCADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576823070 1273746083 /nfs/dbraw/zinc/74/60/83/1273746083.db2.gz LNLFUTYTKDKYPO-OAHLLOKOSA-N 2 0 357.462 0.947 20 0 FCADRP C[N@H+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCc1c[nH]nn1 ZINC001576833764 1273759866 /nfs/dbraw/zinc/75/98/66/1273759866.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 0 364.494 0.429 20 0 FCADRP C[N@H+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCc1c[nH]nn1 ZINC001576833763 1273760595 /nfs/dbraw/zinc/76/05/95/1273760595.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 0 364.494 0.429 20 0 FCADRP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001576839706 1273775524 /nfs/dbraw/zinc/77/55/24/1273775524.db2.gz UBLILBYDOLZBKD-JKSUJKDBSA-N 2 0 350.467 0.386 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001576844693 1273787722 /nfs/dbraw/zinc/78/77/22/1273787722.db2.gz NNAAIJUBDUONQR-QLFBSQMISA-N 2 0 352.483 0.491 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576848394 1273794934 /nfs/dbraw/zinc/79/49/34/1273794934.db2.gz ZEPMCJZJIFQFAX-GOSISDBHSA-N 2 0 356.474 0.712 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576882687 1273863587 /nfs/dbraw/zinc/86/35/87/1273863587.db2.gz JAVFIJVPLDGFRT-WMLDXEAASA-N 2 0 364.494 0.333 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CC[C@H](CC[NH2+]CCc3cn[nH]n3)C2)CC1 ZINC001576884546 1273870349 /nfs/dbraw/zinc/87/03/49/1273870349.db2.gz WWTCKFAPNWGRPA-HNNXBMFYSA-N 2 0 364.494 0.286 20 0 FCADRP CC[C@H]([NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001577139186 1274190537 /nfs/dbraw/zinc/19/05/37/1274190537.db2.gz SOWWXAQOFRAYJE-KBPBESRZSA-N 2 0 363.510 0.887 20 0 FCADRP CC[C@@H]1CN(c2nnc(C)n2C[C@@H]2C[C@H]3C[NH2+]C[C@@H]23)CC[N@@H+]1CCOC ZINC001577292801 1274310100 /nfs/dbraw/zinc/31/01/00/1274310100.db2.gz WYQOYBFURBIZRI-WNRNVDISSA-N 2 0 362.522 0.989 20 0 FCADRP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC001577296455 1274312321 /nfs/dbraw/zinc/31/23/21/1274312321.db2.gz PFWIQODYGQNWIP-JTDSTZFVSA-N 2 0 362.522 0.861 20 0 FCADRP CCCN(C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CC[N@H+](C)C1 ZINC001577488610 1274446041 /nfs/dbraw/zinc/44/60/41/1274446041.db2.gz CBZJHBLHTXDDOD-HUUCEWRRSA-N 2 0 352.479 0.797 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558945 1274504345 /nfs/dbraw/zinc/50/43/45/1274504345.db2.gz OLMIAONZZGJMHD-ZIAGYGMSSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570918 1274534298 /nfs/dbraw/zinc/53/42/98/1274534298.db2.gz MIJAYWMPMWUHHL-CQSZACIVSA-N 2 0 372.477 0.818 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577574203 1274540507 /nfs/dbraw/zinc/54/05/07/1274540507.db2.gz RBCYJVVZAPNOIW-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577575851 1274542151 /nfs/dbraw/zinc/54/21/51/1274542151.db2.gz CAVORJAZQPYLJM-HDJSIYSDSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668161 1274690574 /nfs/dbraw/zinc/69/05/74/1274690574.db2.gz IWRRZBURPUELII-WFASDCNBSA-N 2 0 358.450 0.475 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668845 1274691435 /nfs/dbraw/zinc/69/14/35/1274691435.db2.gz NPNMXXUHPWWOFY-XJKSGUPXSA-N 2 0 372.477 0.783 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577670459 1274698241 /nfs/dbraw/zinc/69/82/41/1274698241.db2.gz ULRNQGOLGYBJSC-MRXNPFEDSA-N 2 0 372.477 0.737 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673363 1274707718 /nfs/dbraw/zinc/70/77/18/1274707718.db2.gz JTZUECMZNDFFDU-DVOMOZLQSA-N 2 0 370.461 0.617 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC001577691086 1274751440 /nfs/dbraw/zinc/75/14/40/1274751440.db2.gz JNQRGMGFZUMGCI-JONQDZQNSA-N 2 0 357.520 0.199 20 0 FCADRP CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704255 1274766365 /nfs/dbraw/zinc/76/63/65/1274766365.db2.gz ILNKZPUGPLGUBJ-UKRRQHHQSA-N 2 0 353.463 0.755 20 0 FCADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755608 1274836321 /nfs/dbraw/zinc/83/63/21/1274836321.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 0 358.490 0.898 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763951 1274849291 /nfs/dbraw/zinc/84/92/91/1274849291.db2.gz NABGZRMTKOHYPK-DZGCQCFKSA-N 2 0 361.494 0.499 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001577782122 1274876704 /nfs/dbraw/zinc/87/67/04/1274876704.db2.gz VUNVLZPRUXIYKW-SOUVJXGZSA-N 2 0 358.494 0.795 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC001577781345 1274876807 /nfs/dbraw/zinc/87/68/07/1274876807.db2.gz MTDJHVKHQGJKOT-ZBFHGGJFSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577852009 1274991266 /nfs/dbraw/zinc/99/12/66/1274991266.db2.gz HXYFPLDHOGKSOJ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577851966 1274991709 /nfs/dbraw/zinc/99/17/09/1274991709.db2.gz HDUPUMHCCLGSGA-UHFFFAOYSA-N 2 0 372.477 0.737 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862366 1275027390 /nfs/dbraw/zinc/02/73/90/1275027390.db2.gz AAUAMQROYLPGGM-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001577865325 1275039861 /nfs/dbraw/zinc/03/98/61/1275039861.db2.gz JWXKHTNBBMMGGT-KFWWJZLASA-N 2 0 363.510 0.758 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866124 1275044305 /nfs/dbraw/zinc/04/43/05/1275044305.db2.gz AJQZGZOKQAHCCU-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882962 1275084048 /nfs/dbraw/zinc/08/40/48/1275084048.db2.gz QDMUKXQXRVZEGO-KBPBESRZSA-N 2 0 372.477 0.674 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577885662 1275088568 /nfs/dbraw/zinc/08/85/68/1275088568.db2.gz JLAUEMNOSSMPCC-UHFFFAOYSA-N 2 0 358.450 0.561 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577885841 1275090554 /nfs/dbraw/zinc/09/05/54/1275090554.db2.gz POLVVIXKMPSTPZ-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577885791 1275090761 /nfs/dbraw/zinc/09/07/61/1275090761.db2.gz OAZYOLNBZHSUDI-AWEZNQCLSA-N 2 0 372.477 0.737 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577886280 1275092880 /nfs/dbraw/zinc/09/28/80/1275092880.db2.gz ZOBYRFCDSSSYGB-CYBMUJFWSA-N 2 0 358.450 0.347 20 0 FCADRP CC[NH+](CC)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577891650 1275098963 /nfs/dbraw/zinc/09/89/63/1275098963.db2.gz FXJWQXKPJLHMPY-UHFFFAOYSA-N 2 0 358.450 0.395 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577891518 1275099393 /nfs/dbraw/zinc/09/93/93/1275099393.db2.gz FJZPVKAMHGHCLA-GFCCVEGCSA-N 2 0 360.466 0.498 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892056 1275100855 /nfs/dbraw/zinc/10/08/55/1275100855.db2.gz JZCJKBMLYDEHIK-AWEZNQCLSA-N 2 0 372.477 0.997 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895170 1275105808 /nfs/dbraw/zinc/10/58/08/1275105808.db2.gz DGFMZVKOGNVJCC-JOCQHMNTSA-N 2 0 358.450 0.332 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577922628 1275129622 /nfs/dbraw/zinc/12/96/22/1275129622.db2.gz FMXCHCBALSIECI-JSGCOSHPSA-N 2 0 374.411 0.670 20 0 FCADRP CCOC(=O)c1cc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)[nH]n1 ZINC001578053029 1275346625 /nfs/dbraw/zinc/34/66/25/1275346625.db2.gz COJFVYCMYUCWHU-UHFFFAOYSA-N 2 0 351.451 0.667 20 0 FCADRP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001578110122 1275412597 /nfs/dbraw/zinc/41/25/97/1275412597.db2.gz WVWNJQNIXFQCLO-CYBMUJFWSA-N 2 0 358.450 0.204 20 0 FCADRP CCOCc1nnc(N2CCC(C)([NH3+])CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578131950 1275431018 /nfs/dbraw/zinc/43/10/18/1275431018.db2.gz CUFUWJJWHHNADZ-KRWDZBQOSA-N 2 0 352.483 0.199 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[NH+]1CCCCC1 ZINC001578136630 1275436460 /nfs/dbraw/zinc/43/64/60/1275436460.db2.gz TWOKQAJWKGVDDD-UHFFFAOYSA-N 2 0 372.477 0.820 20 0 FCADRP CCOCc1nnc(N2CCC[C@H]([NH3+])C2)n1CC[NH+]1CCSCC1 ZINC001578138775 1275438081 /nfs/dbraw/zinc/43/80/81/1275438081.db2.gz OHKOIEAJPXWAKW-AWEZNQCLSA-N 2 0 354.524 0.791 20 0 FCADRP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001578181043 1275471169 /nfs/dbraw/zinc/47/11/69/1275471169.db2.gz AJMDFYMMMBRSEQ-ZIAGYGMSSA-N 2 0 372.477 0.853 20 0 FCADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ncc1-c1nn[nH]n1 ZINC001580810624 1278973293 /nfs/dbraw/zinc/97/32/93/1278973293.db2.gz MWBXPTLTWYAXFW-ZIAGYGMSSA-N 2 0 372.477 0.382 20 0 FCADRP CCc1nnc(N2CC[NH2+][C@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001578324026 1275668548 /nfs/dbraw/zinc/66/85/48/1275668548.db2.gz CZQSQWXWSSVKRS-HZPDHXFCSA-N 2 0 350.511 0.876 20 0 FCADRP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1C[C@H]2COC[C@H]2[NH2+]1 ZINC001578324166 1275669795 /nfs/dbraw/zinc/66/97/95/1275669795.db2.gz HKYOOSNTVNQPAB-YESZJQIVSA-N 2 0 362.522 0.995 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN(C3C[NH2+]C3)CC2)Cc2ccccc2C1 ZINC001578408820 1275781716 /nfs/dbraw/zinc/78/17/16/1275781716.db2.gz CXBDXDACMFBHEO-UHFFFAOYSA-N 2 0 357.502 0.385 20 0 FCADRP C[NH+](C)CCSc1nc(CC(=O)NCC2([NH3+])CCOCC2)cs1 ZINC001578418446 1275787006 /nfs/dbraw/zinc/78/70/06/1275787006.db2.gz ATWNRFTWZCHJAB-UHFFFAOYSA-N 2 0 358.533 0.963 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578447986 1275843199 /nfs/dbraw/zinc/84/31/99/1275843199.db2.gz YSIAGWOKZUEDDB-DVOMOZLQSA-N 2 0 372.477 0.578 20 0 FCADRP CC[C@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001578469414 1275880656 /nfs/dbraw/zinc/88/06/56/1275880656.db2.gz HPFGRJBCYCIOEC-OAHLLOKOSA-N 2 0 372.477 0.817 20 0 FCADRP CN(CCCCCO)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578525950 1275960409 /nfs/dbraw/zinc/96/04/09/1275960409.db2.gz VAJWWZVNSCZAJY-DAYGRLMNSA-N 2 0 366.510 0.148 20 0 FCADRP C[NH2+][C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)CCOC)C1 ZINC001578601279 1276033190 /nfs/dbraw/zinc/03/31/90/1276033190.db2.gz AYBXXBVHRFRJLZ-JKSUJKDBSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001578637325 1276087013 /nfs/dbraw/zinc/08/70/13/1276087013.db2.gz BIIDXARTYSFXEP-ZDUSSCGKSA-N 2 0 357.499 0.883 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@@H]2CC23C[NH2+]C3)CCC[N@H+](Cc2ccccc2)C1 ZINC001578781989 1276264011 /nfs/dbraw/zinc/26/40/11/1276264011.db2.gz WKOYEYXJVUVSCJ-JXFKEZNVSA-N 2 0 357.454 0.920 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)Nc1cc(C[NH+](C)C)ccn1)C2 ZINC001578842517 1276361654 /nfs/dbraw/zinc/36/16/54/1276361654.db2.gz NRVBNMCXBWKMHS-QWQRMKEZSA-N 2 0 361.446 0.887 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C2 ZINC001578843478 1276363016 /nfs/dbraw/zinc/36/30/16/1276363016.db2.gz VUVKCXWBWAIWPC-OSRSDYAFSA-N 2 0 370.519 0.346 20 0 FCADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578972721 1276518164 /nfs/dbraw/zinc/51/81/64/1276518164.db2.gz BEPLQALTJULAEK-OAHLLOKOSA-N 2 0 357.462 0.851 20 0 FCADRP CN(C(=O)CC[NH+](C)C)C1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578973619 1276520633 /nfs/dbraw/zinc/52/06/33/1276520633.db2.gz VPUZADMPJYTJBH-UHFFFAOYSA-N 2 0 372.477 0.817 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578973618 1276521008 /nfs/dbraw/zinc/52/10/08/1276521008.db2.gz VPRPZPYWPQFTEJ-WKILWMFISA-N 2 0 369.473 0.945 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578973576 1276521053 /nfs/dbraw/zinc/52/10/53/1276521053.db2.gz UBKYUGRMFDFNMC-OAHLLOKOSA-N 2 0 357.462 0.851 20 0 FCADRP COCC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[NH2+]CC1 ZINC001578975686 1276526722 /nfs/dbraw/zinc/52/67/22/1276526722.db2.gz VEMANEINSGVBAY-DLBZAZTESA-N 2 0 353.507 0.887 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001578976253 1276528725 /nfs/dbraw/zinc/52/87/25/1276528725.db2.gz SOMOSRVVQGDINU-MRXNPFEDSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578976750 1276530102 /nfs/dbraw/zinc/53/01/02/1276530102.db2.gz DRKJHBFJQSAJEJ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CN(C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578977263 1276532251 /nfs/dbraw/zinc/53/22/51/1276532251.db2.gz KSCJJYGMAHTAFR-CQSZACIVSA-N 2 0 372.477 0.888 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001578977660 1276532411 /nfs/dbraw/zinc/53/24/11/1276532411.db2.gz UHQRTEXYWJOZJR-HNNXBMFYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001578978073 1276534704 /nfs/dbraw/zinc/53/47/04/1276534704.db2.gz DKTYLPJMBHYDBL-INIZCTEOSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979276 1276539305 /nfs/dbraw/zinc/53/93/05/1276539305.db2.gz YPUPKVOYWDZPEP-OCCSQVGLSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578983712 1276549423 /nfs/dbraw/zinc/54/94/23/1276549423.db2.gz PDFIDRYUJLLGMX-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578985168 1276551719 /nfs/dbraw/zinc/55/17/19/1276551719.db2.gz DBMSDRCJFKLTPJ-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP C[NH+](C)CCCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001578985487 1276551730 /nfs/dbraw/zinc/55/17/30/1276551730.db2.gz IUPXTKCVSGOGLY-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578986007 1276554712 /nfs/dbraw/zinc/55/47/12/1276554712.db2.gz WFVYWPPCANHHOK-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578987465 1276556980 /nfs/dbraw/zinc/55/69/80/1276556980.db2.gz FAUADFIRCJRPPI-QLPKVWCKSA-N 2 0 355.446 0.365 20 0 FCADRP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578988069 1276559065 /nfs/dbraw/zinc/55/90/65/1276559065.db2.gz YQXJGRAGNKOZGH-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578987950 1276559660 /nfs/dbraw/zinc/55/96/60/1276559660.db2.gz IGHWDNXZJMDQAH-OKILXGFUSA-N 2 0 361.425 0.694 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579006032 1276577874 /nfs/dbraw/zinc/57/78/74/1276577874.db2.gz LGZRHDDILKDWRD-CYBMUJFWSA-N 2 0 372.477 0.674 20 0 FCADRP C[N@H+](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001579015871 1276589208 /nfs/dbraw/zinc/58/92/08/1276589208.db2.gz VQKLETSFUWVXOD-UHFFFAOYSA-N 2 0 369.473 0.899 20 0 FCADRP COCC[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579028841 1276610501 /nfs/dbraw/zinc/61/05/01/1276610501.db2.gz YSAIZVTWQUUTHV-YJBOKZPZSA-N 2 0 374.493 0.184 20 0 FCADRP COCCO[C@H](C)c1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001579053479 1276654150 /nfs/dbraw/zinc/65/41/50/1276654150.db2.gz QEHDTGRMMULRFX-SOUVJXGZSA-N 2 0 354.499 0.750 20 0 FCADRP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001579131655 1276822782 /nfs/dbraw/zinc/82/27/82/1276822782.db2.gz BISSOFNIJQSNHL-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579166291 1276917274 /nfs/dbraw/zinc/91/72/74/1276917274.db2.gz CBIFZVFGYRQIFD-UHFFFAOYSA-N 2 0 373.436 0.650 20 0 FCADRP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nn[nH]n1 ZINC001579171356 1276925111 /nfs/dbraw/zinc/92/51/11/1276925111.db2.gz CIVKYOGTDDWYPP-KRWDZBQOSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579171240 1276925284 /nfs/dbraw/zinc/92/52/84/1276925284.db2.gz ADTLBQMAVHKCTO-QGZVFWFLSA-N 2 0 369.473 0.757 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001579214612 1277009377 /nfs/dbraw/zinc/00/93/77/1277009377.db2.gz IWUBLZAHCSUMLC-UHFFFAOYSA-N 2 0 358.450 0.428 20 0 FCADRP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579261408 1277059318 /nfs/dbraw/zinc/05/93/18/1277059318.db2.gz PZVXVWHRDDVGSZ-WBVHZDCISA-N 2 0 369.473 0.994 20 0 FCADRP COc1cccc(C[C@H]2CN(C(=O)C3(C4(O)C[NH2+]C4)CCC3)CC[NH2+]2)c1 ZINC001579274166 1277082010 /nfs/dbraw/zinc/08/20/10/1277082010.db2.gz HADLKLVRMLLWRE-INIZCTEOSA-N 2 0 359.470 0.543 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579326567 1277148991 /nfs/dbraw/zinc/14/89/91/1277148991.db2.gz KLSSXJVGPQNDRD-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326007 1277150137 /nfs/dbraw/zinc/15/01/37/1277150137.db2.gz HNTVXXMNYVFKPN-DLBZAZTESA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579329591 1277159867 /nfs/dbraw/zinc/15/98/67/1277159867.db2.gz RGJFUCZHIMJEAD-CYBMUJFWSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579332008 1277162932 /nfs/dbraw/zinc/16/29/32/1277162932.db2.gz HQUSZWXEVGYMAP-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579333156 1277165968 /nfs/dbraw/zinc/16/59/68/1277165968.db2.gz OJCUQGUCTIQWJR-OAHLLOKOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333733 1277168219 /nfs/dbraw/zinc/16/82/19/1277168219.db2.gz SNJAXOHZDYTLDV-DLBZAZTESA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335187 1277173615 /nfs/dbraw/zinc/17/36/15/1277173615.db2.gz NUKVMBHVJDDCTP-MRXNPFEDSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335266 1277175650 /nfs/dbraw/zinc/17/56/50/1277175650.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339969 1277184523 /nfs/dbraw/zinc/18/45/23/1277184523.db2.gz OQFYVUCGLSMBAF-TUKIKUTGSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347264 1277201948 /nfs/dbraw/zinc/20/19/48/1277201948.db2.gz ZRBMNXFAUODZMJ-NVXWUHKLSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353626 1277214258 /nfs/dbraw/zinc/21/42/58/1277214258.db2.gz QGXZGTYKGKCPHQ-IRXDYDNUSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579355056 1277216698 /nfs/dbraw/zinc/21/66/98/1277216698.db2.gz CLTSVMXMOQRWNZ-PUJMQQBBSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354289 1277217417 /nfs/dbraw/zinc/21/74/17/1277217417.db2.gz YCURQHMLKIACMB-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355253 1277219424 /nfs/dbraw/zinc/21/94/24/1277219424.db2.gz DMTDWZDUTZFMRO-GOEBONIOSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356747 1277222882 /nfs/dbraw/zinc/22/28/82/1277222882.db2.gz MKLNFLGBDYPDBV-IRXDYDNUSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579357588 1277224875 /nfs/dbraw/zinc/22/48/75/1277224875.db2.gz YZPRNOPZWNAUSK-HZPDHXFCSA-N 2 0 355.446 0.651 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001579358950 1277228522 /nfs/dbraw/zinc/22/85/22/1277228522.db2.gz MHQSNHJBGTUPJM-GFCCVEGCSA-N 2 0 361.475 0.761 20 0 FCADRP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001579404481 1277286800 /nfs/dbraw/zinc/28/68/00/1277286800.db2.gz NGZKMYZNHJIBAA-CQSZACIVSA-N 2 0 374.493 0.327 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)C(=O)O2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001579439957 1277318142 /nfs/dbraw/zinc/31/81/42/1277318142.db2.gz FPNIOPPLHVNUHF-MGPQQGTHSA-N 2 0 353.463 0.984 20 0 FCADRP C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC[NH2+]1 ZINC001579444366 1277331283 /nfs/dbraw/zinc/33/12/83/1277331283.db2.gz IHEGDIGMWXMIKR-CJNGLKHVSA-N 2 0 358.494 0.817 20 0 FCADRP Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001579522794 1277478630 /nfs/dbraw/zinc/47/86/30/1277478630.db2.gz YILGVVRMQVERDK-CYBMUJFWSA-N 2 0 354.458 0.998 20 0 FCADRP Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001579910970 1277958664 /nfs/dbraw/zinc/95/86/64/1277958664.db2.gz YGPIQSUJJVSNSA-HOCLYGCPSA-N 2 0 363.510 0.327 20 0 FCADRP Cn1cc(-c2nnc(N3CC[C@@H]([NH3+])C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC001579951477 1277976429 /nfs/dbraw/zinc/97/64/29/1277976429.db2.gz NYBFGEKCDSLTKJ-CVEARBPZSA-N 2 0 374.493 0.063 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580273801 1278068355 /nfs/dbraw/zinc/06/83/55/1278068355.db2.gz AKRSYUFMUINSRL-SMDDNHRTSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001580278996 1278078409 /nfs/dbraw/zinc/07/84/09/1278078409.db2.gz KMAIYFOVKXZWRR-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001580280218 1278080001 /nfs/dbraw/zinc/08/00/01/1278080001.db2.gz AKLPXEXSCNVXHZ-JYJNAYRXSA-N 2 0 351.495 0.642 20 0 FCADRP Cc1cc(N(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942069 1279149482 /nfs/dbraw/zinc/14/94/82/1279149482.db2.gz MKSOCDZAWNJDTF-ZDUSSCGKSA-N 2 0 358.450 0.559 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943416 1279151495 /nfs/dbraw/zinc/15/14/95/1279151495.db2.gz GQHXLTUFENFBPZ-MGPQQGTHSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N(C)CCNC(=O)CCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949391 1279155564 /nfs/dbraw/zinc/15/55/64/1279155564.db2.gz XWVLYIVWGSPCFS-UHFFFAOYSA-N 2 0 372.477 0.999 20 0 FCADRP Cc1cc(N2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974723 1279174263 /nfs/dbraw/zinc/17/42/63/1279174263.db2.gz RNWFHKZWPDUVBJ-XJKSGUPXSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988983 1279188289 /nfs/dbraw/zinc/18/82/89/1279188289.db2.gz VBMJWNNGVIWKRU-DGCLKSJQSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991217 1279192917 /nfs/dbraw/zinc/19/29/17/1279192917.db2.gz MQNWWDUNUAYTIO-LBPRGKRZSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990711 1279193088 /nfs/dbraw/zinc/19/30/88/1279193088.db2.gz HMEHLHJIQWNFRG-JSGCOSHPSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991416 1279194211 /nfs/dbraw/zinc/19/42/11/1279194211.db2.gz OQFWJEJYACMHCU-QWHCGFSZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991421 1279194466 /nfs/dbraw/zinc/19/44/66/1279194466.db2.gz OSEWUGLJGZKDGH-CJNGLKHVSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993044 1279198290 /nfs/dbraw/zinc/19/82/90/1279198290.db2.gz FGXBTDPQCQYQNG-HZPDHXFCSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994373 1279200317 /nfs/dbraw/zinc/20/03/17/1279200317.db2.gz NASSLAFYRXUZGK-GFCCVEGCSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(N[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995427 1279205794 /nfs/dbraw/zinc/20/57/94/1279205794.db2.gz HIOAAPAXALDVRI-IUODEOHRSA-N 2 0 370.461 0.250 20 0 FCADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707849 1287332144 /nfs/dbraw/zinc/33/21/44/1287332144.db2.gz SQZXKCJFFJWLRZ-IIAWOOMASA-N 2 0 350.463 0.673 20 0 FCADRP Cc1cc(NC2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580998914 1279214204 /nfs/dbraw/zinc/21/42/04/1279214204.db2.gz UQNRIBFXBWBNEF-OAHLLOKOSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581000122 1279216112 /nfs/dbraw/zinc/21/61/12/1279216112.db2.gz VJQOOFLRCIZZHU-UHFFFAOYSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002574 1279219712 /nfs/dbraw/zinc/21/97/12/1279219712.db2.gz SGOKKQZKWRFCJO-ROKHWSDSSA-N 2 0 370.461 0.250 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006296 1279225003 /nfs/dbraw/zinc/22/50/03/1279225003.db2.gz OMTBGTXTQKPVKU-WFASDCNBSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006273 1279225157 /nfs/dbraw/zinc/22/51/57/1279225157.db2.gz NYXINNDRYPAXSN-CYBMUJFWSA-N 2 0 356.434 0.101 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012849 1279239754 /nfs/dbraw/zinc/23/97/54/1279239754.db2.gz CFPROHNPEKBTLE-KGLIPLIRSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016580 1279245820 /nfs/dbraw/zinc/24/58/20/1279245820.db2.gz PPPHFMKCPKTFFE-INIZCTEOSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022276 1279253044 /nfs/dbraw/zinc/25/30/44/1279253044.db2.gz YBWXVJAMIBYFJW-BBRMVZONSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(NC[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022414 1279253251 /nfs/dbraw/zinc/25/32/51/1279253251.db2.gz YRQKCNSLPWXDRM-CQSZACIVSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022664 1279253649 /nfs/dbraw/zinc/25/36/49/1279253649.db2.gz GJTJETLXEUOLBM-CYBMUJFWSA-N 2 0 358.450 0.204 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026343 1279259758 /nfs/dbraw/zinc/25/97/58/1279259758.db2.gz DJNITRHGBKKQAS-HNNXBMFYSA-N 2 0 370.461 0.204 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030948 1279268904 /nfs/dbraw/zinc/26/89/04/1279268904.db2.gz VNIASUYKOWJCRK-CQSZACIVSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034374 1279271808 /nfs/dbraw/zinc/27/18/08/1279271808.db2.gz CLFZIVSHOGCTBY-LBPRGKRZSA-N 2 0 360.466 0.639 20 0 FCADRP Cc1ccc(-c2nn[nH]n2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001581134908 1279438634 /nfs/dbraw/zinc/43/86/34/1279438634.db2.gz JSUHZIQIJXOQCW-HZPDHXFCSA-N 2 0 371.489 0.987 20 0 FCADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603610124 1287441095 /nfs/dbraw/zinc/44/10/95/1287441095.db2.gz WXVBKSUEWBLNJV-STQMWFEESA-N 2 0 370.461 0.617 20 0 FCADRP O=C(CC[NH+]1CCCCC1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582053916 1280977339 /nfs/dbraw/zinc/97/73/39/1280977339.db2.gz VTLIUZAYMQVMTR-UHFFFAOYSA-N 2 0 370.461 0.620 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582098006 1281053278 /nfs/dbraw/zinc/05/32/78/1281053278.db2.gz XQPNEBKQJCOTKZ-QGZVFWFLSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001582098931 1281054181 /nfs/dbraw/zinc/05/41/81/1281054181.db2.gz DCJSRNNCWCFVMR-UHFFFAOYSA-N 2 0 373.436 0.840 20 0 FCADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582098842 1281054300 /nfs/dbraw/zinc/05/43/00/1281054300.db2.gz AOMCCHXNDFDSJP-UHFFFAOYSA-N 2 0 355.446 0.701 20 0 FCADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582100197 1281057139 /nfs/dbraw/zinc/05/71/39/1281057139.db2.gz AQYSFEGRQIEBFP-UHFFFAOYSA-N 2 0 361.425 0.698 20 0 FCADRP CCN(CCCNC(=O)C1CC[NH+](C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604296431 1287599195 /nfs/dbraw/zinc/59/91/95/1287599195.db2.gz HRKLOKOURMZFBP-UHFFFAOYSA-N 2 0 372.477 0.936 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589468176 1282890263 /nfs/dbraw/zinc/89/02/63/1282890263.db2.gz XBXKFZZGYZYJHI-INIZCTEOSA-N 2 0 374.493 0.923 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001589676565 1282934871 /nfs/dbraw/zinc/93/48/71/1282934871.db2.gz AYWDQKPFYLVEPN-UHFFFAOYSA-N 2 0 363.441 0.942 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716685 1282959800 /nfs/dbraw/zinc/95/98/00/1282959800.db2.gz KRSZYNVXEIFZBN-OAHLLOKOSA-N 2 0 358.450 0.475 20 0 FCADRP CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(N3CC[NH+](CC)CC3)n2)CC1 ZINC001604345588 1287609654 /nfs/dbraw/zinc/60/96/54/1287609654.db2.gz TXSUMGBQRGBJLP-UHFFFAOYSA-N 2 0 371.493 0.546 20 0 FCADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604357139 1287613040 /nfs/dbraw/zinc/61/30/40/1287613040.db2.gz UZNHSRCRXHRSIM-MRXNPFEDSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCC[NH+](C)C ZINC001590174858 1283279565 /nfs/dbraw/zinc/27/95/65/1283279565.db2.gz IFHKPCMGIFQPGG-ZFWWWQNUSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270622 1283394723 /nfs/dbraw/zinc/39/47/23/1283394723.db2.gz CWEZVKSLVAGPPD-ZRMMWKCHSA-N 2 0 356.434 0.110 20 0 FCADRP CC[NH+](CC)CCOCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001590690236 1283733208 /nfs/dbraw/zinc/73/32/08/1283733208.db2.gz UUFZSMPDGRVAJJ-UHFFFAOYSA-N 2 0 358.450 0.962 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733022 1283768632 /nfs/dbraw/zinc/76/86/32/1283768632.db2.gz KKYVRWKMHHAMIR-AWFCHZOYSA-N 2 0 370.461 0.642 20 0 FCADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001591012903 1284072749 /nfs/dbraw/zinc/07/27/49/1284072749.db2.gz ARERBDPSOMSEPV-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001591080966 1284148923 /nfs/dbraw/zinc/14/89/23/1284148923.db2.gz GXHNNASSQYXFLS-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001591103698 1284176090 /nfs/dbraw/zinc/17/60/90/1284176090.db2.gz XUKUOBLPCRZAMU-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174705 1284263981 /nfs/dbraw/zinc/26/39/81/1284263981.db2.gz AFEYSIVBFQDMPI-KGLIPLIRSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175691 1284265119 /nfs/dbraw/zinc/26/51/19/1284265119.db2.gz RNUJGYVZSFFZID-DJIMGWMZSA-N 2 0 369.473 0.803 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)(N2CCOCC2)CC1 ZINC001591177022 1284275893 /nfs/dbraw/zinc/27/58/93/1284275893.db2.gz QQVVZVVJBMXAJF-UHFFFAOYSA-N 2 0 371.489 0.753 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186572 1284295799 /nfs/dbraw/zinc/29/57/99/1284295799.db2.gz UGXGRTTYYGDDNT-BAABZTOOSA-N 2 0 370.461 0.642 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001591189654 1284304831 /nfs/dbraw/zinc/30/48/31/1284304831.db2.gz KAFYZEBQMDYAGE-WOMSROEHSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1(C)C ZINC001591193650 1284314144 /nfs/dbraw/zinc/31/41/44/1284314144.db2.gz VKJKAACJQIERGH-UHFFFAOYSA-N 2 0 369.477 0.630 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604683362 1287731302 /nfs/dbraw/zinc/73/13/02/1287731302.db2.gz SSDUDEZMSJBXBX-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP Cc1cc(NCCCNC(=O)CC2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047256 1285091241 /nfs/dbraw/zinc/09/12/41/1285091241.db2.gz IFLNXEUZEKIEMX-UHFFFAOYSA-N 2 0 372.477 0.642 20 0 FCADRP Cc1cc(NCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049215 1285095055 /nfs/dbraw/zinc/09/50/55/1285095055.db2.gz LBLOPJGRJCTXGA-BBRMVZONSA-N 2 0 370.461 0.537 20 0 FCADRP Cc1cc(NCCNC(=O)C23CCC[NH+](CCC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049212 1285095498 /nfs/dbraw/zinc/09/54/98/1285095498.db2.gz KYAWCMUNXRKRQD-UHFFFAOYSA-N 2 0 370.461 0.396 20 0 FCADRP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001592739943 1285656698 /nfs/dbraw/zinc/65/66/98/1285656698.db2.gz HDHSRIKURONVAO-MRXNPFEDSA-N 2 0 367.457 0.995 20 0 FCADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001592747423 1285666731 /nfs/dbraw/zinc/66/67/31/1285666731.db2.gz MHYMUGQCFVLTLZ-MRXNPFEDSA-N 2 0 353.434 0.797 20 0 FCADRP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592863908 1285766979 /nfs/dbraw/zinc/76/69/79/1285766979.db2.gz GDVVAZJMLKAXQD-ARJAWSKDSA-N 2 0 355.446 0.725 20 0 FCADRP O=C(NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593073015 1285967066 /nfs/dbraw/zinc/96/70/66/1285967066.db2.gz IGRVDDBBMRCDCY-QGZVFWFLSA-N 2 0 369.473 0.804 20 0 FCADRP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001593075805 1285971382 /nfs/dbraw/zinc/97/13/82/1285971382.db2.gz DRFHAMQFXXUBMA-XJKSGUPXSA-N 2 0 370.461 0.619 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001593511063 1286188608 /nfs/dbraw/zinc/18/86/08/1286188608.db2.gz FGMXKXQOJAIVLL-YCPHGPKFSA-N 2 0 358.446 0.680 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001704415349 1286248370 /nfs/dbraw/zinc/24/83/70/1286248370.db2.gz VQUDWBZOJBAKKL-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001735961869 1289091008 /nfs/dbraw/zinc/09/10/08/1289091008.db2.gz IYOODOKKJIVDNI-IKGGRYGDSA-N 2 0 368.522 0.281 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3CC[NH+]3CCCC3)C2)CC1 ZINC001710287520 1287170723 /nfs/dbraw/zinc/17/07/23/1287170723.db2.gz BIUBUITYYJIJEF-SFHVURJKSA-N 2 0 361.538 0.899 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1)[NH+](C)C ZINC001719231571 1287909100 /nfs/dbraw/zinc/90/91/00/1287909100.db2.gz GUIQALUDROMCNS-RBSFLKMASA-N 2 0 354.495 0.153 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001724786369 1288449849 /nfs/dbraw/zinc/44/98/49/1288449849.db2.gz PMWQHYPAPDSBBM-BFHYXJOUSA-N 2 0 367.494 0.189 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001732342957 1288581786 /nfs/dbraw/zinc/58/17/86/1288581786.db2.gz MOLQWZUWCWDBGP-BFYDXBDKSA-N 2 0 371.489 0.844 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574586 1288618943 /nfs/dbraw/zinc/61/89/43/1288618943.db2.gz YYHZLMUSJWJHQK-HSFUPAIVSA-N 2 0 364.534 0.972 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609112161 1288926306 /nfs/dbraw/zinc/92/63/06/1288926306.db2.gz UUXNDPPRNMPKNI-CQSZACIVSA-N 2 0 372.477 0.679 20 0 FCADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172957 1288966216 /nfs/dbraw/zinc/96/62/16/1288966216.db2.gz HJRZODDPMLVJQZ-WMLDXEAASA-N 2 0 360.462 0.991 20 0 FCADRP CCO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692031432 1289371457 /nfs/dbraw/zinc/37/14/57/1289371457.db2.gz CNIBVJQIUOXVRP-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001692062109 1289381578 /nfs/dbraw/zinc/38/15/78/1289381578.db2.gz RJUGBWMKVIYRRD-SQNIBIBYSA-N 2 0 362.518 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001692284439 1289443547 /nfs/dbraw/zinc/44/35/47/1289443547.db2.gz RLXFHOXNHAHRAY-MSOLQXFVSA-N 2 0 364.534 0.977 20 0 FCADRP C[C@H](CC[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699101388 1289545725 /nfs/dbraw/zinc/54/57/25/1289545725.db2.gz CIBZLOVLWSLEHL-JHJVBQTASA-N 2 0 366.428 0.880 20 0 FCADRP C[C@H](CC[NH2+]Cc1ncnn1CC(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699101131 1289546259 /nfs/dbraw/zinc/54/62/59/1289546259.db2.gz BRTIAOQXPASDBB-JHJVBQTASA-N 2 0 358.437 0.868 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001699403609 1289552493 /nfs/dbraw/zinc/55/24/93/1289552493.db2.gz FSJPETHGNSBKQZ-CWRNSKLLSA-N 2 0 359.536 0.636 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001737530496 1289558032 /nfs/dbraw/zinc/55/80/32/1289558032.db2.gz BBNDUJIERDISAL-RXYDEIHYSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001699651122 1289559610 /nfs/dbraw/zinc/55/96/10/1289559610.db2.gz KYTZWQSOIKIGSH-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CCC1 ZINC001702189098 1289819790 /nfs/dbraw/zinc/81/97/90/1289819790.db2.gz WKTLXPJZHXRJOK-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001739585227 1290198844 /nfs/dbraw/zinc/19/88/44/1290198844.db2.gz XNZFCVNSZGOKIL-GVDBMIGSSA-N 2 0 366.506 0.012 20 0 FCADRP COCCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001754962235 1290639426 /nfs/dbraw/zinc/63/94/26/1290639426.db2.gz UVKFIAZNEKFRGW-IAGOWNOFSA-N 2 0 353.507 0.914 20 0 FCADRP CN(C)C(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[nH]1 ZINC001651216175 1291208400 /nfs/dbraw/zinc/20/84/00/1291208400.db2.gz LHUNCLCKIJAROU-UHFFFAOYSA-N 2 0 363.506 0.603 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)CC1 ZINC001653231458 1291330541 /nfs/dbraw/zinc/33/05/41/1291330541.db2.gz YSYPUXIYEDGWJO-UHFFFAOYSA-N 2 0 373.563 0.276 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839879 1291566106 /nfs/dbraw/zinc/56/61/06/1291566106.db2.gz MJAPIOSQIZQBTQ-BBWFWOEESA-N 2 0 371.547 0.543 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC001668400242 1291962492 /nfs/dbraw/zinc/96/24/92/1291962492.db2.gz LWBGGILBDLBWSV-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001679408583 1292304039 /nfs/dbraw/zinc/30/40/39/1292304039.db2.gz DETROLLMSQJOAP-WMZOPIPTSA-N 2 0 368.522 0.633 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001689067191 1294591075 /nfs/dbraw/zinc/59/10/75/1294591075.db2.gz SPENVTXUHDMECP-FGTMMUONSA-N 2 0 363.506 0.821 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001689073229 1294594627 /nfs/dbraw/zinc/59/46/27/1294594627.db2.gz IAGYLGJUMKOMSH-USXIJHARSA-N 2 0 368.522 0.434 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001689234523 1294695044 /nfs/dbraw/zinc/69/50/44/1294695044.db2.gz CHJFCRMEPHSNHH-ZACQAIPSSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001689588175 1294801766 /nfs/dbraw/zinc/80/17/66/1294801766.db2.gz XTCGUSGRAZKGAY-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001690576615 1294872812 /nfs/dbraw/zinc/87/28/12/1294872812.db2.gz FGQJFIXXPBIOAK-HZSPNIEDSA-N 2 0 351.451 0.746 20 0 FCADRP O=C1NCCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C12C[NH2+]C2 ZINC001164411491 718878371 /nfs/dbraw/zinc/87/83/71/718878371.db2.gz QFMZMKLBLMLWCW-UHFFFAOYSA-N 2 0 363.465 0.918 20 0 FCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@@H]2C1 ZINC001164856656 720893175 /nfs/dbraw/zinc/89/31/75/720893175.db2.gz GDSNEAGJKANCFA-NVXWUHKLSA-N 2 0 361.490 0.645 20 0 FCADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164866887 721059948 /nfs/dbraw/zinc/05/99/48/721059948.db2.gz GPJLXDKTLNTTKN-QZTJIDSGSA-N 2 0 366.469 0.997 20 0 FCADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164867993 721064749 /nfs/dbraw/zinc/06/47/49/721064749.db2.gz LVFWTQQJFGJZOC-IAGOWNOFSA-N 2 0 366.469 0.997 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164766408 721075098 /nfs/dbraw/zinc/07/50/98/721075098.db2.gz KETJVTAKDSZUGX-SJORKVTESA-N 2 0 367.501 0.857 20 0 FCADRP Cc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1C1C[NH2+]C1 ZINC001165012178 721750479 /nfs/dbraw/zinc/75/04/79/721750479.db2.gz AZURCCYSYYTQPY-UHFFFAOYSA-N 2 0 372.517 0.995 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001067463402 837460124 /nfs/dbraw/zinc/46/01/24/837460124.db2.gz DEXPYVWUFIYSEU-YESZJQIVSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001067536178 837465946 /nfs/dbraw/zinc/46/59/46/837465946.db2.gz PHIWWHMREHBVJJ-HZPDHXFCSA-N 2 0 356.511 0.212 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070024533 837601240 /nfs/dbraw/zinc/60/12/40/837601240.db2.gz USOHENNJBONLDM-CABCVRRESA-N 2 0 352.458 0.711 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070207695 837634340 /nfs/dbraw/zinc/63/43/40/837634340.db2.gz JRRUXVABURRVEC-XHSDSOJGSA-N 2 0 352.458 0.567 20 0 FCADRP C[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)[NH+]1CCCCCC1 ZINC001070288341 837643513 /nfs/dbraw/zinc/64/35/13/837643513.db2.gz LTOMVPXTJYPXDY-OAGGEKHMSA-N 2 0 352.458 0.854 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070357608 837648424 /nfs/dbraw/zinc/64/84/24/837648424.db2.gz VZWFJZGMZCGRRR-RDBSUJKOSA-N 2 0 350.467 0.243 20 0 FCADRP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070367171 837650049 /nfs/dbraw/zinc/65/00/49/837650049.db2.gz IBKWRVKMOZOWRK-RYRKJORJSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070367049 837650113 /nfs/dbraw/zinc/65/01/13/837650113.db2.gz BISVMTINDMXXJF-VYDXJSESSA-N 2 0 354.470 0.526 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070373100 837650499 /nfs/dbraw/zinc/65/04/99/837650499.db2.gz ZELSCBZPSTWVRK-RYRKJORJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001071062175 837721086 /nfs/dbraw/zinc/72/10/86/837721086.db2.gz OFLMFMDNSMAIEW-YJLNNSPDSA-N 2 0 353.507 0.837 20 0 FCADRP Cc1nccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)O)CC1 ZINC001071104480 837734429 /nfs/dbraw/zinc/73/44/29/837734429.db2.gz ZGGJORDNOCFZAR-QBIMZIAESA-N 2 0 350.463 0.558 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001099343082 844036489 /nfs/dbraw/zinc/03/64/89/844036489.db2.gz DYLAQROBGRGORG-JHJVBQTASA-N 2 0 362.396 0.340 20 0 FCADRP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171512 844088054 /nfs/dbraw/zinc/08/80/54/844088054.db2.gz CRLVPSJZZNHTGT-GJYPPUQNSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249202479 836025719 /nfs/dbraw/zinc/02/57/19/836025719.db2.gz AHDBKXCERXAOMJ-VJANTYMQSA-N 2 0 356.555 0.150 20 0 FCADRP O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000397602674 836065713 /nfs/dbraw/zinc/06/57/13/836065713.db2.gz VJSKGBOQBBGPLP-UHFFFAOYSA-N 2 0 352.504 0.638 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267760 844126188 /nfs/dbraw/zinc/12/61/88/844126188.db2.gz RFWRAJPQKMCKDN-AYBZRNKSSA-N 2 0 350.507 0.585 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267666 844126233 /nfs/dbraw/zinc/12/62/33/844126233.db2.gz ODPINDPSZTZQIE-LMMKCTJWSA-N 2 0 353.507 0.770 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271156 844127341 /nfs/dbraw/zinc/12/73/41/844127341.db2.gz HDAJRSVPAYOTLB-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284854 844134387 /nfs/dbraw/zinc/13/43/87/844134387.db2.gz CGDONXQFDVGTCO-CLCXKQKWSA-N 2 0 352.523 0.974 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000751038103 836461210 /nfs/dbraw/zinc/46/12/10/836461210.db2.gz IYZHPGRUAHPHTC-CVEARBPZSA-N 2 0 369.579 0.878 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101437026 844185328 /nfs/dbraw/zinc/18/53/28/844185328.db2.gz ZCWUGXQGXAYCRQ-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C3(C[NH+](C)C)CC3)CCC2)CC[N@@H+]1C ZINC001063222051 836756831 /nfs/dbraw/zinc/75/68/31/836756831.db2.gz SOIREFGPVYCQNS-HUUCEWRRSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001101984013 844360656 /nfs/dbraw/zinc/36/06/56/844360656.db2.gz VKCQHWMKVQAMQN-WCXIOVBPSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077131560 838756860 /nfs/dbraw/zinc/75/68/60/838756860.db2.gz GERGEYNECADAIB-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418095 838958160 /nfs/dbraw/zinc/95/81/60/838958160.db2.gz IOWCNNMLFGTGBR-RVKOJVRFSA-N 2 0 351.491 0.447 20 0 FCADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040789 844391875 /nfs/dbraw/zinc/39/18/75/844391875.db2.gz WGPPCLVTIPRXBB-IXDOHACOSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048453 844395859 /nfs/dbraw/zinc/39/58/59/844395859.db2.gz CDKJKTHBWKYILK-FVQBIDKESA-N 2 0 351.495 0.036 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001077618404 839072626 /nfs/dbraw/zinc/07/26/26/839072626.db2.gz HOKNOBVDQBGBHV-QZTJIDSGSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001102088525 844408511 /nfs/dbraw/zinc/40/85/11/844408511.db2.gz ZAGPHOIBPWTHPA-DJIMGWMZSA-N 2 0 356.511 0.163 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102087934 844408923 /nfs/dbraw/zinc/40/89/23/844408923.db2.gz CBIGWXUAOACNQK-BZUAXINKSA-N 2 0 361.552 0.836 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006153 839288342 /nfs/dbraw/zinc/28/83/42/839288342.db2.gz UJBIGFYYBCINGF-RCCFBDPRSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102112740 844420721 /nfs/dbraw/zinc/42/07/21/844420721.db2.gz FCZDJRPUDPJHGB-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP C[N@H+](CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001079245779 839498588 /nfs/dbraw/zinc/49/85/88/839498588.db2.gz HGMHFFRSMCPQNC-DLBZAZTESA-N 2 0 351.491 0.402 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079681626 839572255 /nfs/dbraw/zinc/57/22/55/839572255.db2.gz UPSCKXOWNGBNCO-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294119 844459353 /nfs/dbraw/zinc/45/93/53/844459353.db2.gz KOXKLPZPCKMPFU-BRWVUGGUSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290743 844459450 /nfs/dbraw/zinc/45/94/50/844459450.db2.gz TZKCNYUMPYKMCS-QLFBSQMISA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102295616 844459508 /nfs/dbraw/zinc/45/95/08/844459508.db2.gz SPPKRISNPRELAK-HUUCEWRRSA-N 2 0 352.479 0.161 20 0 FCADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294164 844459648 /nfs/dbraw/zinc/45/96/48/844459648.db2.gz MKMXZGJBYSKGQM-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318587 844466017 /nfs/dbraw/zinc/46/60/17/844466017.db2.gz ABXCYVAFKZZIBP-HUUCEWRRSA-N 2 0 359.536 0.447 20 0 FCADRP CCN(C(=O)C[NH+]1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080558341 839747218 /nfs/dbraw/zinc/74/72/18/839747218.db2.gz RCLGPSDZJQVXJV-ZMSDIMECSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366398 844476031 /nfs/dbraw/zinc/47/60/31/844476031.db2.gz CZQLOGKRLCNRLB-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080998651 839858054 /nfs/dbraw/zinc/85/80/54/839858054.db2.gz HTLKPMCEDKDFRU-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081673087 839994292 /nfs/dbraw/zinc/99/42/92/839994292.db2.gz XBXIDDDQGBOSJC-RCCFBDPRSA-N 2 0 351.491 0.570 20 0 FCADRP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683962 839999982 /nfs/dbraw/zinc/99/99/82/839999982.db2.gz YCDHZMQZHRRPNT-TVFCKZIOSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840770 840060580 /nfs/dbraw/zinc/06/05/80/840060580.db2.gz SUNKRDFSYFYEOL-GVDBMIGSSA-N 2 0 351.491 0.714 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102475201 844515916 /nfs/dbraw/zinc/51/59/16/844515916.db2.gz CVZBBJKISLEYQW-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066344 840170969 /nfs/dbraw/zinc/17/09/69/840170969.db2.gz MWJCCRMSCCWQNQ-DZJNRPSUSA-N 2 0 353.507 0.959 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102496139 844531156 /nfs/dbraw/zinc/53/11/56/844531156.db2.gz GNOBEHSNBKWLRC-RHSMWYFYSA-N 2 0 350.511 0.921 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496446 844530997 /nfs/dbraw/zinc/53/09/97/844530997.db2.gz WEWHFFWMULSHDJ-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082507368 840441474 /nfs/dbraw/zinc/44/14/74/840441474.db2.gz NYRIVQGSDQARPE-OAGGEKHMSA-N 2 0 351.495 0.321 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511262 844541846 /nfs/dbraw/zinc/54/18/46/844541846.db2.gz PNBHXIYAOSAVDS-GDBMZVCRSA-N 2 0 351.495 0.491 20 0 FCADRP Cc1nnsc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513211 844544248 /nfs/dbraw/zinc/54/42/48/844544248.db2.gz AEBANYWXVCPRBX-TZMCWYRMSA-N 2 0 355.508 0.609 20 0 FCADRP COc1nscc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513653 844544978 /nfs/dbraw/zinc/54/49/78/844544978.db2.gz VSNLGTPRMMKBNZ-ZIAGYGMSSA-N 2 0 370.519 0.914 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513953 844545144 /nfs/dbraw/zinc/54/51/44/844545144.db2.gz HHDYNQQTBPDPHR-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514548 844546383 /nfs/dbraw/zinc/54/63/83/844546383.db2.gz ASWJDUGLKKMEKV-BRWVUGGUSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082681613 840521729 /nfs/dbraw/zinc/52/17/29/840521729.db2.gz FUAUGFPFFLBMJU-HUUCEWRRSA-N 2 0 351.495 0.323 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001082724928 840537656 /nfs/dbraw/zinc/53/76/56/840537656.db2.gz XEVSKLZQLPBGJH-CKEIUWERSA-N 2 0 352.479 0.158 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+]1CCCCCC1 ZINC001082782609 840557856 /nfs/dbraw/zinc/55/78/56/840557856.db2.gz HUWBAJYTLFXIGW-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082921052 840601867 /nfs/dbraw/zinc/60/18/67/840601867.db2.gz SHLMOFBWMZDXKG-BPLDGKMQSA-N 2 0 352.504 0.606 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082920104 840601893 /nfs/dbraw/zinc/60/18/93/840601893.db2.gz QNQBMWDEBXILJZ-BRWVUGGUSA-N 2 0 350.507 0.633 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923266 840603526 /nfs/dbraw/zinc/60/35/26/840603526.db2.gz ARGGCUHJXMMJEG-IJEWVQPXSA-N 2 0 350.463 0.888 20 0 FCADRP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)C1CC1 ZINC001102579163 844572433 /nfs/dbraw/zinc/57/24/33/844572433.db2.gz KXNAIDDSIOQGAH-HLLBOEOZSA-N 2 0 350.507 0.681 20 0 FCADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579251 844572873 /nfs/dbraw/zinc/57/28/73/844572873.db2.gz PEZRSQDQFLLJBU-KZNAEPCWSA-N 2 0 355.523 0.800 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083182910 840779669 /nfs/dbraw/zinc/77/96/69/840779669.db2.gz CTJUNLNDTXVUSQ-BPQIPLTHSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)CS(C)(=O)=O ZINC001102579356 844574636 /nfs/dbraw/zinc/57/46/36/844574636.db2.gz UCFFCAFGZIMMJI-ARFHVFGLSA-N 2 0 359.536 0.447 20 0 FCADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583111 844577298 /nfs/dbraw/zinc/57/72/98/844577298.db2.gz SYTNRRAGFWHFRD-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248289 840832569 /nfs/dbraw/zinc/83/25/69/840832569.db2.gz YYRPCTCYEZZBNO-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563639 841174401 /nfs/dbraw/zinc/17/44/01/841174401.db2.gz YQPZXLPDRRPMDT-ZACQAIPSSA-N 2 0 351.491 0.450 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCC1 ZINC001083602068 841221356 /nfs/dbraw/zinc/22/13/56/841221356.db2.gz CKYGDVVUXKYOBO-IKGGRYGDSA-N 2 0 351.491 0.591 20 0 FCADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001083696307 841326065 /nfs/dbraw/zinc/32/60/65/841326065.db2.gz UULMXWDUGJFWPA-IXDOHACOSA-N 2 0 353.507 0.837 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001083696306 841327067 /nfs/dbraw/zinc/32/70/67/841327067.db2.gz UULMXWDUGJFWPA-IKGGRYGDSA-N 2 0 353.507 0.837 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783041 841434359 /nfs/dbraw/zinc/43/43/59/841434359.db2.gz XRUAKSRHUHXNDQ-ZACQAIPSSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)CC1 ZINC001083908756 841556900 /nfs/dbraw/zinc/55/69/00/841556900.db2.gz VNGYLSIVHKGUQK-MSOLQXFVSA-N 2 0 353.507 0.837 20 0 FCADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833838 861218818 /nfs/dbraw/zinc/21/88/18/861218818.db2.gz RNXRHCWGCIKZTL-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084405243 841787971 /nfs/dbraw/zinc/78/79/71/841787971.db2.gz DQJZZUVLWSZODM-KBAYOESNSA-N 2 0 351.491 0.545 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880112 861248069 /nfs/dbraw/zinc/24/80/69/861248069.db2.gz UCALFPXVDUJWKF-HNAYVOBHSA-N 2 0 350.507 0.777 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001275892506 861250607 /nfs/dbraw/zinc/25/06/07/861250607.db2.gz DDNLODLYJLOSKZ-IBGZPJMESA-N 2 0 350.507 0.873 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001085319943 842076208 /nfs/dbraw/zinc/07/62/08/842076208.db2.gz WXWDBZSNPMIJCK-ZACQAIPSSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086873575 842186294 /nfs/dbraw/zinc/18/62/94/842186294.db2.gz OJTZKIMCEUCDTN-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087059556 842255645 /nfs/dbraw/zinc/25/56/45/842255645.db2.gz LDVSWWLCTUXXIP-CZUORRHYSA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC1CC1 ZINC001087094386 842285334 /nfs/dbraw/zinc/28/53/34/842285334.db2.gz GFNFECMYBCKQGZ-SJLPKXTDSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087222717 842320153 /nfs/dbraw/zinc/32/01/53/842320153.db2.gz PJNHPBCCQHERKV-PVAVHDDUSA-N 2 0 350.507 0.824 20 0 FCADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107385 842532449 /nfs/dbraw/zinc/53/24/49/842532449.db2.gz VIFCUKLIRPVBDU-XHSDSOJGSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088109611 842535415 /nfs/dbraw/zinc/53/54/15/842535415.db2.gz OBJWAMKAIAJASL-PMPSAXMXSA-N 2 0 351.495 0.132 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001091038591 842936662 /nfs/dbraw/zinc/93/66/62/842936662.db2.gz ANSSUGGADOJDGS-SJJHQCBESA-N 2 0 350.507 0.824 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754515 843088124 /nfs/dbraw/zinc/08/81/24/843088124.db2.gz SJXLNUSXDNIFOH-GJYPPUQNSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131209 843164796 /nfs/dbraw/zinc/16/47/96/843164796.db2.gz PJLKHENFXRBUIM-MDZRGWNJSA-N 2 0 350.507 0.763 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)CC[N@@H+]1C ZINC001092618703 843253568 /nfs/dbraw/zinc/25/35/68/843253568.db2.gz YXCBZTPBLZFUTD-WCXIOVBPSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734805 843287422 /nfs/dbraw/zinc/28/74/22/843287422.db2.gz IQOSQUVQTOMKGS-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734715 843288930 /nfs/dbraw/zinc/28/89/30/843288930.db2.gz FJJQEGNAEDECAG-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309627 861405792 /nfs/dbraw/zinc/40/57/92/861405792.db2.gz YYNILLVZKFQRHG-IEBWSBKVSA-N 2 0 350.507 0.731 20 0 FCADRP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936816 843348161 /nfs/dbraw/zinc/34/81/61/843348161.db2.gz JPQAGPPRCLMRMC-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936697 843348587 /nfs/dbraw/zinc/34/85/87/843348587.db2.gz HMEYGJCGRYQRCD-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194923 843403914 /nfs/dbraw/zinc/40/39/14/843403914.db2.gz GOSVFTMUMRWFQJ-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093287995 843421930 /nfs/dbraw/zinc/42/19/30/843421930.db2.gz NMGKKCZWHQFATR-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093287768 843422015 /nfs/dbraw/zinc/42/20/15/843422015.db2.gz MYEVESORYNHYCB-BRWVUGGUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093825986 843475344 /nfs/dbraw/zinc/47/53/44/843475344.db2.gz VQXHXTZBNPGYGC-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094043890 843507315 /nfs/dbraw/zinc/50/73/15/843507315.db2.gz BHTTVQVTTZHPBJ-OAGGEKHMSA-N 2 0 350.507 0.681 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001094049322 843508885 /nfs/dbraw/zinc/50/88/85/843508885.db2.gz RKFVSNNWGCWYOV-KFWWJZLASA-N 2 0 351.499 0.607 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001094219234 843531557 /nfs/dbraw/zinc/53/15/57/843531557.db2.gz GLPFKVRMFOOHDH-MGPQQGTHSA-N 2 0 351.451 0.352 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094240876 843539017 /nfs/dbraw/zinc/53/90/17/843539017.db2.gz FTZJLRHIGMSZDQ-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094584940 843563439 /nfs/dbraw/zinc/56/34/39/843563439.db2.gz JTJFWNJPMGTXOB-FRQCXROJSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)CC[N@@H+]1C ZINC001098846925 843939972 /nfs/dbraw/zinc/93/99/72/843939972.db2.gz XZIGNLLDOIQFJE-GGXPGOJBSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C3)CC1 ZINC001099101328 843962080 /nfs/dbraw/zinc/96/20/80/843962080.db2.gz SYWMMQSTIRKPLZ-QOKNQOGYSA-N 2 0 350.507 0.951 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)n1 ZINC001099253036 843992016 /nfs/dbraw/zinc/99/20/16/843992016.db2.gz HASHSORGYUTZEA-DGCLKSJQSA-N 2 0 363.384 0.030 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780874 844646155 /nfs/dbraw/zinc/64/61/55/844646155.db2.gz SDGUIRPPTAVEHZ-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103004862 844683566 /nfs/dbraw/zinc/68/35/66/844683566.db2.gz BXTJNQMHCVPVEU-QBPKDAKJSA-N 2 0 373.563 0.836 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103050137 844690424 /nfs/dbraw/zinc/69/04/24/844690424.db2.gz UCNSOOBDPNSSDK-OAGGEKHMSA-N 2 0 358.502 0.877 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103088075 844698937 /nfs/dbraw/zinc/69/89/37/844698937.db2.gz VLDNIVYNQBVFDT-FVQBIDKESA-N 2 0 359.536 0.445 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373417 844744811 /nfs/dbraw/zinc/74/48/11/844744811.db2.gz QEFOEXRGAXQBCS-HZSPNIEDSA-N 2 0 350.463 0.903 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395918 844750525 /nfs/dbraw/zinc/75/05/25/844750525.db2.gz SJHHENJHMVYFJN-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103433950 844756953 /nfs/dbraw/zinc/75/69/53/844756953.db2.gz OTRUJFCVLINWCJ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433982 844757679 /nfs/dbraw/zinc/75/76/79/844757679.db2.gz QFLFVKYXZVTPPT-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497695 844768786 /nfs/dbraw/zinc/76/87/86/844768786.db2.gz TUTHVIVSGSWWRP-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520222 844772579 /nfs/dbraw/zinc/77/25/79/844772579.db2.gz JGNDGWKJSBLWJQ-HZPDHXFCSA-N 2 0 351.495 0.779 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755300 844817244 /nfs/dbraw/zinc/81/72/44/844817244.db2.gz AQCSOUOSUCFRSX-KFWWJZLASA-N 2 0 352.479 0.206 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1COC(C)(C)O1)C2 ZINC001276617198 861501847 /nfs/dbraw/zinc/50/18/47/861501847.db2.gz HZDODYZSGCYHMC-CRAIPNDOSA-N 2 0 355.479 0.250 20 0 FCADRP CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630362 861506348 /nfs/dbraw/zinc/50/63/48/861506348.db2.gz PKRMYQDHIFFBOG-APWZRJJASA-N 2 0 350.507 0.526 20 0 FCADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286424 844890445 /nfs/dbraw/zinc/89/04/45/844890445.db2.gz CGSPXYZXNFLAFC-ZACQAIPSSA-N 2 0 352.523 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CCO ZINC001104289526 844890606 /nfs/dbraw/zinc/89/06/06/844890606.db2.gz LTCIQZMRUWIYAR-JFIYKMOQSA-N 2 0 353.507 0.696 20 0 FCADRP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104621720 844926801 /nfs/dbraw/zinc/92/68/01/844926801.db2.gz JRVXOJSLMDAQBC-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832425 844949043 /nfs/dbraw/zinc/94/90/43/844949043.db2.gz AHRRAQAOIQQVCT-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908106 844958482 /nfs/dbraw/zinc/95/84/82/844958482.db2.gz JMEUWWVEZLLBQA-IAGOWNOFSA-N 2 0 359.511 0.302 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104908104 844958593 /nfs/dbraw/zinc/95/85/93/844958593.db2.gz JLMJTKJRTFVEGD-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058316 844975372 /nfs/dbraw/zinc/97/53/72/844975372.db2.gz AXSHUKUARDHLIF-KURKYZTESA-N 2 0 355.523 0.944 20 0 FCADRP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658471 845010077 /nfs/dbraw/zinc/01/00/77/845010077.db2.gz HFLMAKLWSRFPLY-FPAYPSAMSA-N 2 0 355.523 0.941 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105669555 845016053 /nfs/dbraw/zinc/01/60/53/845016053.db2.gz SOEPEWDRPINIFC-PSBWJHGTSA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CCCCCC(N)=O)C2)C1=O ZINC001276670703 861526146 /nfs/dbraw/zinc/52/61/46/861526146.db2.gz KBXWXCJDPOIILG-GOSISDBHSA-N 2 0 352.479 0.435 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106143125 845113179 /nfs/dbraw/zinc/11/31/79/845113179.db2.gz RGBIYYWFTWPHOM-BMFZPTHFSA-N 2 0 357.520 0.057 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C[NH2+]CCCO ZINC001106246723 845142973 /nfs/dbraw/zinc/14/29/73/845142973.db2.gz QBTTWOJGMOTFCM-JFIYKMOQSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106255784 845144521 /nfs/dbraw/zinc/14/45/21/845144521.db2.gz IQUMDEZAQMJBKA-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1)[NH+](C)C ZINC001106309062 845152064 /nfs/dbraw/zinc/15/20/64/845152064.db2.gz OAZUXWULGPWMKX-DJIMGWMZSA-N 2 0 352.523 0.879 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106570984 845196584 /nfs/dbraw/zinc/19/65/84/845196584.db2.gz IGLSLHHNKUBTLL-KZNAEPCWSA-N 2 0 355.523 0.801 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106594563 845202554 /nfs/dbraw/zinc/20/25/54/845202554.db2.gz VXOLLTFNGFHBMP-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600277 845202646 /nfs/dbraw/zinc/20/26/46/845202646.db2.gz XQCZAVLLULBXQY-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106597779 845202906 /nfs/dbraw/zinc/20/29/06/845202906.db2.gz NAZVJDJERJMOND-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106621361 845206617 /nfs/dbraw/zinc/20/66/17/845206617.db2.gz HHJDWXNJYCFVIB-RHSMWYFYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001106623105 845206771 /nfs/dbraw/zinc/20/67/71/845206771.db2.gz HGHDWDSUBWHVMH-FRRDWIJNSA-N 2 0 366.428 0.689 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001106626990 845208534 /nfs/dbraw/zinc/20/85/34/845208534.db2.gz QLGOLYFZIXQJBI-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668752 845219790 /nfs/dbraw/zinc/21/97/90/845219790.db2.gz OSPRNEKIDILUOO-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1)[NH+](C)C ZINC001106674435 845223421 /nfs/dbraw/zinc/22/34/21/845223421.db2.gz VFJZAHWCSCIQAZ-OIISXLGYSA-N 2 0 356.511 0.163 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106785201 845252893 /nfs/dbraw/zinc/25/28/93/845252893.db2.gz ZTYHMZOAMUVCEV-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825159 845263044 /nfs/dbraw/zinc/26/30/44/845263044.db2.gz CLDRHSRPCJOXOQ-NXHRZFHOSA-N 2 0 355.523 0.798 20 0 FCADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825579 845263348 /nfs/dbraw/zinc/26/33/48/845263348.db2.gz YJMDXTPZZLPTKJ-HLLBOEOZSA-N 2 0 352.523 0.925 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878408 845277007 /nfs/dbraw/zinc/27/70/07/845277007.db2.gz PNFSRIPLTICXIR-BZUAXINKSA-N 2 0 356.511 0.163 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001106899876 845282306 /nfs/dbraw/zinc/28/23/06/845282306.db2.gz LSLYVJKNCCJXAQ-RBSFLKMASA-N 2 0 351.499 0.687 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106905226 845283198 /nfs/dbraw/zinc/28/31/98/845283198.db2.gz GEPGWDMAKFMELK-KFWWJZLASA-N 2 0 352.479 0.208 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106910922 845283830 /nfs/dbraw/zinc/28/38/30/845283830.db2.gz VRDORIMGBPQGQO-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001106909485 845284975 /nfs/dbraw/zinc/28/49/75/845284975.db2.gz KHQMIOACAZAKDG-ZIAGYGMSSA-N 2 0 352.483 0.662 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106981541 845299591 /nfs/dbraw/zinc/29/95/91/845299591.db2.gz TWVQKHRIXVOHGQ-HZSPNIEDSA-N 2 0 365.503 0.717 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106981493 845299909 /nfs/dbraw/zinc/29/99/09/845299909.db2.gz QNOBTYTVGGDCCZ-BZUAXINKSA-N 2 0 352.523 0.785 20 0 FCADRP CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984124 845301266 /nfs/dbraw/zinc/30/12/66/845301266.db2.gz ZATWETXGZPAWLI-IXDOHACOSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001107042406 845316898 /nfs/dbraw/zinc/31/68/98/845316898.db2.gz LIDKGKLTSOAQCW-ZIAGYGMSSA-N 2 0 351.451 0.637 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[NH+](C)C ZINC001107444703 845375425 /nfs/dbraw/zinc/37/54/25/845375425.db2.gz WQKABXJQOJOQBI-ZIFCJYIRSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)CC1 ZINC001107530184 845392378 /nfs/dbraw/zinc/39/23/78/845392378.db2.gz KUFJZOJJAOEVOE-IEBWSBKVSA-N 2 0 353.507 0.698 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[NH+](C)C ZINC001107534083 845393097 /nfs/dbraw/zinc/39/30/97/845393097.db2.gz WQKABXJQOJOQBI-ZHALLVOQSA-N 2 0 355.523 0.942 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2 ZINC001107533966 845393278 /nfs/dbraw/zinc/39/32/78/845393278.db2.gz PIQFTUKTZZODCJ-NVXWUHKLSA-N 2 0 359.536 0.734 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534123 845394158 /nfs/dbraw/zinc/39/41/58/845394158.db2.gz YKXCXSZFINIYRC-YWTNHNAXSA-N 2 0 355.523 0.941 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2 ZINC001107633737 845411766 /nfs/dbraw/zinc/41/17/66/845411766.db2.gz BFZPJENSGFRJLJ-YQVWRLOYSA-N 2 0 353.507 0.698 20 0 FCADRP CS(=O)(=O)CC[N@@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001276744301 861574019 /nfs/dbraw/zinc/57/40/19/861574019.db2.gz SJKPIKUCURGWPY-QGZVFWFLSA-N 2 0 368.503 0.632 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654095 845705480 /nfs/dbraw/zinc/70/54/80/845705480.db2.gz VTALXPKQWQWTBX-QZWWFDLISA-N 2 0 357.495 0.074 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109867446 845751666 /nfs/dbraw/zinc/75/16/66/845751666.db2.gz ZWCZRHOERBPOTJ-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCOC2)CC1 ZINC001109898887 845755612 /nfs/dbraw/zinc/75/56/12/845755612.db2.gz HSDZPYYKAAEQBK-LMSBXDPUSA-N 2 0 351.491 0.855 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccns1 ZINC001109979902 845771844 /nfs/dbraw/zinc/77/18/44/845771844.db2.gz DSCKTRYECUPXEN-KBMXLJTQSA-N 2 0 352.504 0.985 20 0 FCADRP COCCCN1C[C@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276796060 861613051 /nfs/dbraw/zinc/61/30/51/861613051.db2.gz VDPZRUSDIVZLEF-CRAIPNDOSA-N 2 0 357.495 0.075 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110658042 845942947 /nfs/dbraw/zinc/94/29/47/845942947.db2.gz KBMNZXHGIWOBOO-TVFCKZIOSA-N 2 0 353.507 0.695 20 0 FCADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862194 845986065 /nfs/dbraw/zinc/98/60/65/845986065.db2.gz BUABRVIPABASQL-TWMKSMIVSA-N 2 0 353.507 0.980 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819793 861629373 /nfs/dbraw/zinc/62/93/73/861629373.db2.gz WKTPOKIRTXVVFI-KDOFPFPSSA-N 2 0 355.479 0.175 20 0 FCADRP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276825506 861634855 /nfs/dbraw/zinc/63/48/55/861634855.db2.gz UNKNJISFGHWWLE-YJBOKZPZSA-N 2 0 350.463 0.593 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001111307691 846082772 /nfs/dbraw/zinc/08/27/72/846082772.db2.gz RJEJBICWZZOMQW-OAGGEKHMSA-N 2 0 351.495 0.465 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782821 846203734 /nfs/dbraw/zinc/20/37/34/846203734.db2.gz ZMQKRAZQFOAUSR-FCEWJHQRSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851885 846229348 /nfs/dbraw/zinc/22/93/48/846229348.db2.gz SFGJLMKTSZJOGA-CWLGOENISA-N 2 0 353.507 0.695 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111861615 846235087 /nfs/dbraw/zinc/23/50/87/846235087.db2.gz VVGOVFOYSJCJEA-ZOBUZTSGSA-N 2 0 357.520 0.344 20 0 FCADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111861360 846235232 /nfs/dbraw/zinc/23/52/32/846235232.db2.gz JGQUFPDNLXTKDB-RYRKJORJSA-N 2 0 371.547 0.734 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111909590 846258072 /nfs/dbraw/zinc/25/80/72/846258072.db2.gz DVHCTOWFPABOCH-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111938230 846266918 /nfs/dbraw/zinc/26/69/18/846266918.db2.gz RNEADWMVDBRIAF-GJYPPUQNSA-N 2 0 350.507 0.825 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111949824 846271331 /nfs/dbraw/zinc/27/13/31/846271331.db2.gz VNNYSUQEKJPZTR-VCBZYWHSSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111949057 846273040 /nfs/dbraw/zinc/27/30/40/846273040.db2.gz LYUHYDIXSUXVRY-LPHOPBHVSA-N 2 0 350.507 0.921 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111952329 846274290 /nfs/dbraw/zinc/27/42/90/846274290.db2.gz CNRHGUSPZMAHOR-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983999 846280021 /nfs/dbraw/zinc/28/00/21/846280021.db2.gz VAVJZMMIYSXYLV-VCBZYWHSSA-N 2 0 350.507 0.824 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112117857 846395868 /nfs/dbraw/zinc/39/58/68/846395868.db2.gz GGKFOCQYVMJQKJ-SYQHCUMBSA-N 2 0 369.428 0.559 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157987 846424222 /nfs/dbraw/zinc/42/42/22/846424222.db2.gz NJXIWWQBKHESFA-BFHYXJOUSA-N 2 0 367.412 0.314 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112182196 846442158 /nfs/dbraw/zinc/44/21/58/846442158.db2.gz UOLPVVOLBCKWOR-CHWSQXEVSA-N 2 0 362.400 0.599 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112206081 846462850 /nfs/dbraw/zinc/46/28/50/846462850.db2.gz GZXWMFPLYUYRLS-MGPQQGTHSA-N 2 0 367.412 0.316 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206567 846463227 /nfs/dbraw/zinc/46/32/27/846463227.db2.gz UWAJJSURHUSCIP-JHJVBQTASA-N 2 0 353.385 0.068 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001112360822 846496936 /nfs/dbraw/zinc/49/69/36/846496936.db2.gz MWRZGKYJWRBNCU-GGXPGOJBSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112438893 846504757 /nfs/dbraw/zinc/50/47/57/846504757.db2.gz JWZYCVSVXXEAGP-DOXZYTNZSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2)C(N)=O ZINC001112506875 846509744 /nfs/dbraw/zinc/50/97/44/846509744.db2.gz JOIHHDBTYRQXCH-DOXZYTNZSA-N 2 0 350.507 0.953 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112586407 846531830 /nfs/dbraw/zinc/53/18/30/846531830.db2.gz XZUCIRILXKHDIF-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958808 861703518 /nfs/dbraw/zinc/70/35/18/861703518.db2.gz APYUCGOELTTXLQ-PKOBYXMFSA-N 2 0 352.523 0.462 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C(F)(F)F)CC1 ZINC001117870096 847190649 /nfs/dbraw/zinc/19/06/49/847190649.db2.gz PDRMOQOHMJUZPM-UHFFFAOYSA-N 2 0 366.428 0.739 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001118034694 847257405 /nfs/dbraw/zinc/25/74/05/847257405.db2.gz HGKLSFPEGVXBMD-CZUORRHYSA-N 2 0 350.463 0.528 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001118123441 847290245 /nfs/dbraw/zinc/29/02/45/847290245.db2.gz KSLIPDVRQWKABY-JKSUJKDBSA-N 2 0 352.479 0.356 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330312 847385552 /nfs/dbraw/zinc/38/55/52/847385552.db2.gz KODPVFCAJWHYDR-RCJHGTSTSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330311 847385739 /nfs/dbraw/zinc/38/57/39/847385739.db2.gz KODPVFCAJWHYDR-JEWRLFTDSA-N 2 0 350.507 0.810 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304971 847807015 /nfs/dbraw/zinc/80/70/15/847807015.db2.gz XPKMJTHOWRPLJC-OLZOCXBDSA-N 2 0 364.412 0.669 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001119343066 847816775 /nfs/dbraw/zinc/81/67/75/847816775.db2.gz BLNCHUNYWHWCDQ-RDBSUJKOSA-N 2 0 350.488 0.949 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCCC[NH2+]1 ZINC001120543697 848238271 /nfs/dbraw/zinc/23/82/71/848238271.db2.gz GCCOZSQQULVNHP-CHWSQXEVSA-N 2 0 351.417 0.654 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)CC1 ZINC001120604664 848252110 /nfs/dbraw/zinc/25/21/10/848252110.db2.gz KLLDZXBPPIWHCB-UHFFFAOYSA-N 2 0 352.523 0.177 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001121945350 848422675 /nfs/dbraw/zinc/42/26/75/848422675.db2.gz IVLBNQKNPVHPOP-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001122136279 848452832 /nfs/dbraw/zinc/45/28/32/848452832.db2.gz ISADAIXESUFLJV-OAHLLOKOSA-N 2 0 350.463 0.598 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127643853 848730528 /nfs/dbraw/zinc/73/05/28/848730528.db2.gz NZILGLQOOHBVTC-UTUOFQBUSA-N 2 0 350.385 0.196 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127707127 848734288 /nfs/dbraw/zinc/73/42/88/848734288.db2.gz VMCYPFYUCZLLGZ-UONOGXRCSA-N 2 0 355.483 0.048 20 0 FCADRP COC[C@H](C)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052296 848799730 /nfs/dbraw/zinc/79/97/30/848799730.db2.gz BHQBEKIJTBOHBP-IMJJTQAJSA-N 2 0 350.467 0.139 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129204767 848818240 /nfs/dbraw/zinc/81/82/40/848818240.db2.gz JGLLKXWJRKFPAE-OAGGEKHMSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400699 848840067 /nfs/dbraw/zinc/84/00/67/848840067.db2.gz XKIHSTGTRFZVOO-XHSDSOJGSA-N 2 0 352.483 0.386 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129406977 848841421 /nfs/dbraw/zinc/84/14/21/848841421.db2.gz DLRFGQBLZQXOLA-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461684 848847620 /nfs/dbraw/zinc/84/76/20/848847620.db2.gz YYIXNPQCXBXLFF-CVEARBPZSA-N 2 0 352.483 0.386 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129846540 848901932 /nfs/dbraw/zinc/90/19/32/848901932.db2.gz ZXYJPLLAJNGIIG-XHSDSOJGSA-N 2 0 350.442 0.321 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001129879175 848906650 /nfs/dbraw/zinc/90/66/50/848906650.db2.gz VVOTZJQXDFJRST-XHSDSOJGSA-N 2 0 354.474 0.956 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884043 848907645 /nfs/dbraw/zinc/90/76/45/848907645.db2.gz IAERAYMFPZIHOK-OAGGEKHMSA-N 2 0 352.458 0.854 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129918555 848915839 /nfs/dbraw/zinc/91/58/39/848915839.db2.gz DGXDYCUKALLILI-ZNMIVQPWSA-N 2 0 352.483 0.385 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)s1 ZINC001129991983 848927924 /nfs/dbraw/zinc/92/79/24/848927924.db2.gz GHNRMODLIWMMHF-CABCVRRESA-N 2 0 363.491 0.536 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130081230 848941339 /nfs/dbraw/zinc/94/13/39/848941339.db2.gz DTTNWGGMYRJOPA-XHSDSOJGSA-N 2 0 352.483 0.122 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137121 848950390 /nfs/dbraw/zinc/95/03/90/848950390.db2.gz KCBBUEUOIZHRRZ-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP CC[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)[NH+](C)C ZINC001130220814 848978799 /nfs/dbraw/zinc/97/87/99/848978799.db2.gz MPLRBPCHNUCEJM-XQQFMLRXSA-N 2 0 356.446 0.193 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130622237 849021359 /nfs/dbraw/zinc/02/13/59/849021359.db2.gz YVRXHWYVDVMBIX-GOEBONIOSA-N 2 0 351.495 0.417 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670083 849026277 /nfs/dbraw/zinc/02/62/77/849026277.db2.gz QILFBKFDESUAKO-YQQAZPJKSA-N 2 0 351.495 0.417 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130706664 849028088 /nfs/dbraw/zinc/02/80/88/849028088.db2.gz RRCRMBXIWQUIMQ-DOTOQJQBSA-N 2 0 351.495 0.682 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001130717823 849028724 /nfs/dbraw/zinc/02/87/24/849028724.db2.gz SSFUNBNJUXXQMH-YQQAZPJKSA-N 2 0 351.495 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C/C=C/Cl ZINC001131108366 849079760 /nfs/dbraw/zinc/07/97/60/849079760.db2.gz RIDDMFSNGMUPEC-DPOFCPOHSA-N 2 0 369.897 0.635 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C/C=C\Cl ZINC001131108367 849079813 /nfs/dbraw/zinc/07/98/13/849079813.db2.gz RIDDMFSNGMUPEC-ZYDHHDLOSA-N 2 0 369.897 0.635 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131550173 849121946 /nfs/dbraw/zinc/12/19/46/849121946.db2.gz MOUWXNVDEINAKX-OIISXLGYSA-N 2 0 353.507 0.695 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001131555417 849123301 /nfs/dbraw/zinc/12/33/01/849123301.db2.gz FEUVOQYWRGFTAU-MSOLQXFVSA-N 2 0 353.507 0.960 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131596956 849128577 /nfs/dbraw/zinc/12/85/77/849128577.db2.gz CSCOHFZOLQQPNA-LXZKKBNFSA-N 2 0 354.495 0.188 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131608769 849130147 /nfs/dbraw/zinc/13/01/47/849130147.db2.gz LYKFJBRKIDJFHF-MJGOQNOKSA-N 2 0 353.507 0.840 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001141196727 849385660 /nfs/dbraw/zinc/38/56/60/849385660.db2.gz KVFAADYCTLNYDO-ILXRZTDVSA-N 2 0 354.495 0.994 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)/C=C/c1cnc(OC)nc1OC ZINC001142454357 849444986 /nfs/dbraw/zinc/44/49/86/849444986.db2.gz JUTWANFFMRDAGG-BQYQJAHWSA-N 2 0 350.423 0.571 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1 ZINC001144943547 849540170 /nfs/dbraw/zinc/54/01/70/849540170.db2.gz WNFNSPBJZATSOX-YFHUEUNASA-N 2 0 351.447 0.406 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@]1(O)CCOC1 ZINC001148799570 849618699 /nfs/dbraw/zinc/61/86/99/849618699.db2.gz KBXDGULTQLKACS-IBGZPJMESA-N 2 0 353.507 0.793 20 0 FCADRP CCS(=O)(=O)N1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001154807712 849816027 /nfs/dbraw/zinc/81/60/27/849816027.db2.gz FXQZLKQSUIACOK-UHFFFAOYSA-N 2 0 353.492 0.481 20 0 FCADRP CCCCOC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277777719 862071136 /nfs/dbraw/zinc/07/11/36/862071136.db2.gz GYKKBIOZPHBSLW-DLBZAZTESA-N 2 0 355.523 0.944 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ccc2c(n1)CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001157096287 849946569 /nfs/dbraw/zinc/94/65/69/849946569.db2.gz SPUOGLOQERCSQW-CQSZACIVSA-N 2 0 359.455 0.680 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ncc2c(n1)CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001157094968 849946662 /nfs/dbraw/zinc/94/66/62/849946662.db2.gz BGZVMHVXUIRZAN-ZDUSSCGKSA-N 2 0 360.443 0.075 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001157336374 849965260 /nfs/dbraw/zinc/96/52/60/849965260.db2.gz OEVPKEUWWJCREH-HIFRSBDPSA-N 2 0 352.504 0.856 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCSC12C[NH2+]C2)C(=O)N1CCCC1 ZINC001157370638 849967169 /nfs/dbraw/zinc/96/71/69/849967169.db2.gz FBTZPXGLKIINGS-KBPBESRZSA-N 2 0 354.520 0.318 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157433620 849971985 /nfs/dbraw/zinc/97/19/85/849971985.db2.gz MAMBZTBXZSWZBA-VIFPVBQESA-N 2 0 373.242 0.266 20 0 FCADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001157449351 849974368 /nfs/dbraw/zinc/97/43/68/849974368.db2.gz YTVNWJOKKGFDIL-HNNXBMFYSA-N 3 0 356.511 0.755 20 0 FCADRP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001157626979 849985667 /nfs/dbraw/zinc/98/56/67/849985667.db2.gz KQAWWENEKZQXGP-HKUYNNGSSA-N 2 0 350.507 0.289 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157795085 849995414 /nfs/dbraw/zinc/99/54/14/849995414.db2.gz DWYKDAQSJNDFGW-GJZGRUSLSA-N 2 0 367.519 0.853 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ncc(S(N)(=O)=O)cc3F)CC2)CC1 ZINC001157847941 849999249 /nfs/dbraw/zinc/99/92/49/849999249.db2.gz JMWGFSKHUTWZKV-UHFFFAOYSA-N 2 0 371.482 0.332 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3cc(S(N)(=O)=O)ccn3)CC2)CC1 ZINC001157842750 849999737 /nfs/dbraw/zinc/99/97/37/849999737.db2.gz VMGRMLCSPABNPA-UHFFFAOYSA-N 2 0 353.492 0.193 20 0 FCADRP CCS(=O)(=O)N(c1ccc(N2CC[NH2+]CC2)cn1)C1CC[NH2+]CC1 ZINC001157897431 850002730 /nfs/dbraw/zinc/00/27/30/850002730.db2.gz WJYSDJPMLDAXEF-UHFFFAOYSA-N 2 0 353.492 0.399 20 0 FCADRP CC(C)S(=O)(=O)N(c1ccc(N2CC[NH2+]CC2)cn1)[C@H]1CCC[NH2+]C1 ZINC001157995144 850011395 /nfs/dbraw/zinc/01/13/95/850011395.db2.gz QWBAGHJVSFNPNL-INIZCTEOSA-N 2 0 367.519 0.788 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191623 850023717 /nfs/dbraw/zinc/02/37/17/850023717.db2.gz UKHRMSSUMWFGOJ-BTJONVMOSA-N 2 0 374.576 0.254 20 0 FCADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241290 850028536 /nfs/dbraw/zinc/02/85/36/850028536.db2.gz TWOBOXMTRIFAQF-CMPLNLGQSA-N 2 0 360.380 0.140 20 0 FCADRP O=C(c1csc2c1CC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158285656 850034187 /nfs/dbraw/zinc/03/41/87/850034187.db2.gz NVLCGXWNHGHWHO-UHFFFAOYSA-N 2 0 358.471 0.720 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CCC[NH2+]C)C2 ZINC001158380536 850042466 /nfs/dbraw/zinc/04/24/66/850042466.db2.gz FBIPNNWRNPTAMK-UONOGXRCSA-N 2 0 351.369 0.530 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C(C)(C)C[NH3+])C2 ZINC001158382769 850043768 /nfs/dbraw/zinc/04/37/68/850043768.db2.gz KZUSGVVVHVCRSY-UONOGXRCSA-N 2 0 351.369 0.515 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001158638208 850062758 /nfs/dbraw/zinc/06/27/58/850062758.db2.gz RYJPCBYSZUBQIO-MLGOLLRUSA-N 2 0 351.838 0.507 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1=O ZINC001158700609 850069296 /nfs/dbraw/zinc/06/92/96/850069296.db2.gz CGQNKEKGYGLDJH-MRXNPFEDSA-N 2 0 350.507 0.873 20 0 FCADRP CCOC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)Cc2cnn(C)c21 ZINC001159395667 850110971 /nfs/dbraw/zinc/11/09/71/850110971.db2.gz XSGXSBCVMQOEAX-HOTGVXAUSA-N 2 0 351.495 0.942 20 0 FCADRP Nc1ncn(C2=CCC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159398335 850110987 /nfs/dbraw/zinc/11/09/87/850110987.db2.gz WPABWROBOFBZER-AAEUAGOBSA-N 2 0 352.870 0.214 20 0 FCADRP Cc1nc(CO[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]3CCCO[C@H]23)cs1 ZINC001159508609 850120433 /nfs/dbraw/zinc/12/04/33/850120433.db2.gz ZFFMEYQXCAQCQA-FPCVCCKLSA-N 2 0 368.503 0.793 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H]2C ZINC001159633034 850124634 /nfs/dbraw/zinc/12/46/34/850124634.db2.gz FIDGQHPJGSCNTD-UMFZYTJCSA-N 2 0 369.535 0.722 20 0 FCADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@H]2C ZINC001159633035 850125518 /nfs/dbraw/zinc/12/55/18/850125518.db2.gz FIDGQHPJGSCNTD-ZATCZYFKSA-N 2 0 369.535 0.722 20 0 FCADRP O=C(N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159832067 850139484 /nfs/dbraw/zinc/13/94/84/850139484.db2.gz AZXTVSANBQYEAU-ADAWSYLGSA-N 2 0 361.515 0.517 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](C[C@H](O)COC)CC2)CC[N@@H+]1C ZINC001160168947 850155999 /nfs/dbraw/zinc/15/59/99/850155999.db2.gz DRGNYRSTSZICFB-OKZBNKHCSA-N 2 0 353.507 0.862 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155046 850156577 /nfs/dbraw/zinc/15/65/77/850156577.db2.gz DCKNBKHNNSIZKD-KSZLIROESA-N 3 0 352.523 0.804 20 0 FCADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCO2 ZINC001160179994 850157471 /nfs/dbraw/zinc/15/74/71/850157471.db2.gz QKXRELBWMZTBQK-WMZOPIPTSA-N 2 0 354.495 0.286 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201271 850159129 /nfs/dbraw/zinc/15/91/29/850159129.db2.gz FLGMUSMVZHJNBO-HZPDHXFCSA-N 2 0 350.507 0.988 20 0 FCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160387785 850169855 /nfs/dbraw/zinc/16/98/55/850169855.db2.gz DAKVCFKTUKSTCQ-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001160426540 850172129 /nfs/dbraw/zinc/17/21/29/850172129.db2.gz FLHWWNZXDCQCFT-GJZGRUSLSA-N 2 0 355.479 0.853 20 0 FCADRP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490505 850176797 /nfs/dbraw/zinc/17/67/97/850176797.db2.gz ACXBYMQKGMQDCF-FUHWJXTLSA-N 2 0 350.507 0.384 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC001160610919 850185649 /nfs/dbraw/zinc/18/56/49/850185649.db2.gz OOPPYLYQSPESDM-PMPSAXMXSA-N 2 0 354.495 0.055 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]3C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001160797918 850199282 /nfs/dbraw/zinc/19/92/82/850199282.db2.gz WYBTUZDNWNQCIH-VBTGVMJWSA-N 2 0 357.401 0.088 20 0 FCADRP C[C@@](O)(C1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1)C(F)(F)F ZINC001160838398 850201972 /nfs/dbraw/zinc/20/19/72/850201972.db2.gz NDRSGSDOBVYXGG-UKRRQHHQSA-N 2 0 366.428 0.289 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198203 850238835 /nfs/dbraw/zinc/23/88/35/850238835.db2.gz MQDCYFCYSMWOGZ-HNNXBMFYSA-N 2 0 362.465 0.519 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269919 850246126 /nfs/dbraw/zinc/24/61/26/850246126.db2.gz OECUEYDLOLBLOW-AWEZNQCLSA-N 2 0 360.524 0.249 20 0 FCADRP C[C@@H](C[NH3+])C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354229 850252981 /nfs/dbraw/zinc/25/29/81/850252981.db2.gz KOSGCKFGYTVAHI-LBPRGKRZSA-N 2 0 352.460 0.427 20 0 FCADRP COc1ccnc(OC2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2)n1 ZINC001161368529 850253891 /nfs/dbraw/zinc/25/38/91/850253891.db2.gz IIEDVXFWATWBEJ-ZDUSSCGKSA-N 2 0 351.451 0.701 20 0 FCADRP COc1ccnc(N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2CC[NH2+]CC2)c1 ZINC001161385492 850255447 /nfs/dbraw/zinc/25/54/47/850255447.db2.gz BKVOIRRTWNZYFP-BSEYFRJRSA-N 2 0 354.476 0.271 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423581 850258620 /nfs/dbraw/zinc/25/86/20/850258620.db2.gz GEIGPFJWACTMMR-AJNGGQMLSA-N 2 0 356.536 0.514 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCn2ncc(Br)c2C1 ZINC001161526768 850267769 /nfs/dbraw/zinc/26/77/69/850267769.db2.gz SDXBTLZGFDBMLW-LBPRGKRZSA-N 2 0 368.279 0.862 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)nc(N2CCOCC2)n1 ZINC001163122451 850357012 /nfs/dbraw/zinc/35/70/12/850357012.db2.gz LCNWXUNQTSJVQM-UHFFFAOYSA-N 2 0 356.862 0.640 20 0 FCADRP CS(=O)(=O)c1nc2c(c(N[C@H](C[NH3+])c3ccccc3)n1)CC[NH2+]CC2 ZINC001163292459 850363598 /nfs/dbraw/zinc/36/35/98/850363598.db2.gz RKRPDNAFGNEQTI-OAHLLOKOSA-N 2 0 361.471 0.680 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833090 862120928 /nfs/dbraw/zinc/12/09/28/862120928.db2.gz BFNRBOUKOMTSTC-PBHICJAKSA-N 2 0 363.449 0.505 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001277833390 862121639 /nfs/dbraw/zinc/12/16/39/862121639.db2.gz DFKUFCKVLDOEGB-MJGOQNOKSA-N 2 0 353.507 0.793 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835804 862123122 /nfs/dbraw/zinc/12/31/22/862123122.db2.gz MHBXCVKXFCQARJ-IAGOWNOFSA-N 2 0 354.539 0.469 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835807 862123550 /nfs/dbraw/zinc/12/35/50/862123550.db2.gz MHBXCVKXFCQARJ-IRXDYDNUSA-N 2 0 354.539 0.469 20 0 FCADRP CN(c1cccc(NC(=O)NC2CC[NH2+]CC2)c1)S(=O)(=O)CC[NH3+] ZINC001164300573 850404176 /nfs/dbraw/zinc/40/41/76/850404176.db2.gz UMYDSFAOTGKJLF-UHFFFAOYSA-N 2 0 355.464 0.285 20 0 FCADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001167878752 850560519 /nfs/dbraw/zinc/56/05/19/850560519.db2.gz PAKJQPLDZRXNJY-UHFFFAOYSA-N 3 0 353.492 0.887 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001169111900 850605771 /nfs/dbraw/zinc/60/57/71/850605771.db2.gz QUHOEQHILUBDPT-NNZMDNLPSA-N 3 0 359.511 0.226 20 0 FCADRP CC(=O)N1CCC[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])C1 ZINC001169589727 850631359 /nfs/dbraw/zinc/63/13/59/850631359.db2.gz SSDLYFNTTGULNC-HNNXBMFYSA-N 2 0 353.463 0.594 20 0 FCADRP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863704 850668930 /nfs/dbraw/zinc/66/89/30/850668930.db2.gz XWRRGCKXCHFCEK-RRFJBIMHSA-N 2 0 362.540 0.140 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172007738 850701546 /nfs/dbraw/zinc/70/15/46/850701546.db2.gz VYIRYJKPZRHUAB-MRXNPFEDSA-N 2 0 357.495 0.518 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[C@@H]1C(=O)OC ZINC001173572972 850728572 /nfs/dbraw/zinc/72/85/72/850728572.db2.gz ORIILGWKNURFNV-RBVVOMGSSA-N 2 0 354.447 0.428 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001178523176 850905847 /nfs/dbraw/zinc/90/58/47/850905847.db2.gz VQQNDXVXKWCDDY-KFWWJZLASA-N 2 0 352.479 0.398 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3nncs3)[C@@H]2C)CC[N@@H+]1C ZINC001178731357 850921091 /nfs/dbraw/zinc/92/10/91/850921091.db2.gz SHFVKUMNNGLQNI-XQHKEYJVSA-N 2 0 366.491 0.396 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@]1(F)C[C@@H]1C(=O)OCc1ccccc1 ZINC001178874788 850936645 /nfs/dbraw/zinc/93/66/45/850936645.db2.gz TXNUOQBLEDDEGW-CXAGYDPISA-N 2 0 350.394 0.919 20 0 FCADRP C[C@@H](C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[NH+]1CCCC1 ZINC001180585127 851047049 /nfs/dbraw/zinc/04/70/49/851047049.db2.gz JRPINRPGIXZCTR-AWEZNQCLSA-N 2 0 366.487 0.417 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001181525995 851117856 /nfs/dbraw/zinc/11/78/56/851117856.db2.gz ZOYDYHQPXUWAJX-KCYZZUKISA-N 2 0 359.536 0.445 20 0 FCADRP C[N@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014562 851146090 /nfs/dbraw/zinc/14/60/90/851146090.db2.gz BBNWKOXKXHLMJP-OAHLLOKOSA-N 2 0 354.495 0.901 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001182028907 851146293 /nfs/dbraw/zinc/14/62/93/851146293.db2.gz IBLOUBBSKGRBRJ-UHFFFAOYSA-N 2 0 353.507 0.794 20 0 FCADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001182676684 851190334 /nfs/dbraw/zinc/19/03/34/851190334.db2.gz QKROIPLUXNUWSV-RAIGVLPGSA-N 2 0 366.491 0.316 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001182676132 851190631 /nfs/dbraw/zinc/19/06/31/851190631.db2.gz BUCCVGUDOYKICP-JHJVBQTASA-N 2 0 351.476 0.612 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCCC3)C2)CC[N@@H+]1C ZINC001182676672 851190790 /nfs/dbraw/zinc/19/07/90/851190790.db2.gz PVSWTLBLUSSTMA-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001183372607 851244375 /nfs/dbraw/zinc/24/43/75/851244375.db2.gz JPSOKHHUSJPYHN-IYBDPMFKSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188188849 851657958 /nfs/dbraw/zinc/65/79/58/851657958.db2.gz HGWYATNOYPZPFL-OKZBNKHCSA-N 2 0 353.507 0.506 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001188979795 851739235 /nfs/dbraw/zinc/73/92/35/851739235.db2.gz TYKKIFHFIUQNTI-IXDOHACOSA-N 2 0 371.547 0.686 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189054265 851746245 /nfs/dbraw/zinc/74/62/45/851746245.db2.gz BHWKUKQTECYNRQ-OWCLPIDISA-N 2 0 357.520 0.296 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159737 851760018 /nfs/dbraw/zinc/76/00/18/851760018.db2.gz IURSYKOFIUIFSX-HRCADAONSA-N 2 0 350.507 0.728 20 0 FCADRP COCC[N@@H+]1CCC[C@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001278270849 862285593 /nfs/dbraw/zinc/28/55/93/862285593.db2.gz WNJWHFCTHLSHIC-PKOBYXMFSA-N 2 0 351.491 0.811 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001189668902 851814144 /nfs/dbraw/zinc/81/41/44/851814144.db2.gz QMGIUKDZPMZHFG-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001189811013 851827101 /nfs/dbraw/zinc/82/71/01/851827101.db2.gz RDCPGMGKQZLIBE-KSZLIROESA-N 2 0 353.507 0.912 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177563 851870639 /nfs/dbraw/zinc/87/06/39/851870639.db2.gz OWBCRFRABPQHGD-OKZBNKHCSA-N 2 0 353.507 0.648 20 0 FCADRP CC[C@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278395741 862313685 /nfs/dbraw/zinc/31/36/85/862313685.db2.gz DEVHJIJCXKPSOV-JYJNAYRXSA-N 2 0 350.507 0.633 20 0 FCADRP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066140 852348647 /nfs/dbraw/zinc/34/86/47/852348647.db2.gz BRRQABUVGGJQFG-IAGOWNOFSA-N 2 0 351.495 0.800 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193738088 852479334 /nfs/dbraw/zinc/47/93/34/852479334.db2.gz MSWMEEHZXMLHCS-GVDBMIGSSA-N 2 0 357.495 0.074 20 0 FCADRP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832752 852658983 /nfs/dbraw/zinc/65/89/83/852658983.db2.gz RXTMNLACVNMOGS-CBYDULDESA-N 2 0 351.491 0.447 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001196167094 852902859 /nfs/dbraw/zinc/90/28/59/852902859.db2.gz BMIUTCDIQRHKDU-USXIJHARSA-N 2 0 350.463 0.342 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O)CC(C)(C)C ZINC001196207997 852916123 /nfs/dbraw/zinc/91/61/23/852916123.db2.gz XBGPCLAZUWSGCY-IAGOWNOFSA-N 2 0 355.523 0.942 20 0 FCADRP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804457 853015096 /nfs/dbraw/zinc/01/50/96/853015096.db2.gz ZBUDEGVSVINBND-IAGOWNOFSA-N 2 0 351.495 0.800 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001197825175 853167683 /nfs/dbraw/zinc/16/76/83/853167683.db2.gz AVWCKSIQHZTRFL-HUUCEWRRSA-N 2 0 363.449 0.551 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001198007904 853204537 /nfs/dbraw/zinc/20/45/37/853204537.db2.gz SJWVETFTVGOKOL-UHFFFAOYSA-N 2 0 370.519 0.431 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1O ZINC001198029207 853206703 /nfs/dbraw/zinc/20/67/03/853206703.db2.gz QLGPUSXLQJJCIQ-HUUCEWRRSA-N 2 0 354.520 0.887 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O ZINC001198698772 853304260 /nfs/dbraw/zinc/30/42/60/853304260.db2.gz DXRKBYNHSXEXNP-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199018495 853356447 /nfs/dbraw/zinc/35/64/47/853356447.db2.gz ZTDTZSGXTYCXOY-RCCFBDPRSA-N 2 0 353.507 0.983 20 0 FCADRP CCOC(=O)C1(NC(=S)NCC[NH+]2CCCCC2)CC[NH+](C)CC1 ZINC001200443398 853498340 /nfs/dbraw/zinc/49/83/40/853498340.db2.gz WDWGLSCATPYPBX-UHFFFAOYSA-N 2 0 356.536 0.964 20 0 FCADRP C[C@@H](C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001200644939 853507126 /nfs/dbraw/zinc/50/71/26/853507126.db2.gz UEHZVNKGOSISLC-SQWLQELKSA-N 2 0 359.536 0.588 20 0 FCADRP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C[C@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843445 853573084 /nfs/dbraw/zinc/57/30/84/853573084.db2.gz GYVFABATZUMBEY-ZHALLVOQSA-N 2 0 350.507 0.526 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC1 ZINC001205510806 853618458 /nfs/dbraw/zinc/61/84/58/853618458.db2.gz HZBBXUYNCNIRKP-JKSUJKDBSA-N 2 0 351.491 0.260 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205678962 853626503 /nfs/dbraw/zinc/62/65/03/853626503.db2.gz YUVKPSNTOJZJOH-GOEBONIOSA-N 2 0 350.438 0.537 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001207231596 853793068 /nfs/dbraw/zinc/79/30/68/853793068.db2.gz MEHOMSPQMBHYOZ-BZUAXINKSA-N 2 0 356.486 0.725 20 0 FCADRP COCCN1CC2(CC[NH+](CC3CC[NH2+]CC3)CC2)[C@H](COC)C1=O ZINC001207436681 853813610 /nfs/dbraw/zinc/81/36/10/853813610.db2.gz HMZMZJBQLXAPLR-QGZVFWFLSA-N 2 0 353.507 0.819 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074072 853892669 /nfs/dbraw/zinc/89/26/69/853892669.db2.gz OEFNANBZCPEGFE-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434953 853933449 /nfs/dbraw/zinc/93/34/49/853933449.db2.gz LAKZOAIIUHERRT-IXDOHACOSA-N 2 0 355.523 0.798 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208576018 853955083 /nfs/dbraw/zinc/95/50/83/853955083.db2.gz ZLNUTVAUFCYMSO-BZUAXINKSA-N 2 0 353.511 0.569 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC)C2)CC1 ZINC001208596173 853957876 /nfs/dbraw/zinc/95/78/76/853957876.db2.gz DXOUJKGRWYITHF-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP COCOCCC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001209027144 853991391 /nfs/dbraw/zinc/99/13/91/853991391.db2.gz QOEWIJUAPZGDGH-UHFFFAOYSA-N 2 0 357.495 0.500 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001209635260 854041962 /nfs/dbraw/zinc/04/19/62/854041962.db2.gz NRRQVZUNTRRDKK-MGPQQGTHSA-N 2 0 369.428 0.705 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001209642212 854043482 /nfs/dbraw/zinc/04/34/82/854043482.db2.gz DMIXBHKMIWCRLO-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330288 854101863 /nfs/dbraw/zinc/10/18/63/854101863.db2.gz UUBKQDIVQQPVAK-BZUAXINKSA-N 2 0 350.507 0.774 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426523 854108853 /nfs/dbraw/zinc/10/88/53/854108853.db2.gz HDTHTHGHFURVHB-IXDOHACOSA-N 2 0 359.511 0.179 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1C ZINC001211046275 854150064 /nfs/dbraw/zinc/15/00/64/854150064.db2.gz LROKVLFPZILHCO-QLFBSQMISA-N 2 0 363.449 0.673 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343813 854179340 /nfs/dbraw/zinc/17/93/40/854179340.db2.gz NHZMSSBIHUOTMK-KFWWJZLASA-N 2 0 350.463 0.104 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221738 854539484 /nfs/dbraw/zinc/53/94/84/854539484.db2.gz OSABMNOHJJCLBF-ARFHVFGLSA-N 2 0 357.495 0.074 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342094 854581760 /nfs/dbraw/zinc/58/17/60/854581760.db2.gz GTHVKDNTDOWBIO-IXDOHACOSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346424 854583929 /nfs/dbraw/zinc/58/39/29/854583929.db2.gz LXZKEMNIAGTHHP-BRWVUGGUSA-N 2 0 359.511 0.177 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576320 854672492 /nfs/dbraw/zinc/67/24/92/854672492.db2.gz KDNQKZUWUBKEDJ-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213730425 854740795 /nfs/dbraw/zinc/74/07/95/854740795.db2.gz OYZYGNAOOAFIQD-IXDOHACOSA-N 2 0 357.495 0.195 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214344060 854928136 /nfs/dbraw/zinc/92/81/36/854928136.db2.gz NGYOKMDNHRSSBL-UPJWGTAASA-N 2 0 351.476 0.612 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001214754861 855002130 /nfs/dbraw/zinc/00/21/30/855002130.db2.gz JOJNSYRLADBYEH-BZUAXINKSA-N 2 0 356.486 0.725 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214755092 855002871 /nfs/dbraw/zinc/00/28/71/855002871.db2.gz RDQCRGIPPQPWHB-VNQPRFMTSA-N 2 0 356.486 0.629 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214780421 855012205 /nfs/dbraw/zinc/01/22/05/855012205.db2.gz ZLRMRFDDVBQURE-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001214845406 855021891 /nfs/dbraw/zinc/02/18/91/855021891.db2.gz RWLGVMGLTPBOGQ-BZUAXINKSA-N 2 0 359.536 0.445 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001214845549 855022076 /nfs/dbraw/zinc/02/20/76/855022076.db2.gz YRRYGIVIIZJGKP-HLLBOEOZSA-N 2 0 350.507 0.679 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904803 855030925 /nfs/dbraw/zinc/03/09/25/855030925.db2.gz KOEMCMLBKJKOIQ-OAGGEKHMSA-N 2 0 361.552 0.834 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1)[NH+](C)C ZINC001214949783 855038459 /nfs/dbraw/zinc/03/84/59/855038459.db2.gz AEUDVDXCDNHAIF-MRVWCRGKSA-N 2 0 351.451 0.698 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214957193 855040001 /nfs/dbraw/zinc/04/00/01/855040001.db2.gz ZBYVZFWTCHEFSZ-BRWVUGGUSA-N 2 0 355.523 0.942 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968978 855041546 /nfs/dbraw/zinc/04/15/46/855041546.db2.gz GQGNYYBDQZXKES-OAGGEKHMSA-N 2 0 354.495 0.060 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968866 855041664 /nfs/dbraw/zinc/04/16/64/855041664.db2.gz FFKZVNVVXQITCK-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214969284 855042331 /nfs/dbraw/zinc/04/23/31/855042331.db2.gz NQDNWOIWEGQWTH-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001214998360 855049363 /nfs/dbraw/zinc/04/93/63/855049363.db2.gz VRCOQMPSMIUTAR-ZIAGYGMSSA-N 2 0 362.540 0.045 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001215003824 855050587 /nfs/dbraw/zinc/05/05/87/855050587.db2.gz LWAVIJUPIIDVKB-VXGBXAGGSA-N 2 0 368.507 0.643 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058383 855060403 /nfs/dbraw/zinc/06/04/03/855060403.db2.gz MXXGXTYMXLXBDA-BZUAXINKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215234432 855087053 /nfs/dbraw/zinc/08/70/53/855087053.db2.gz VBDAUDQJSWSAQY-HUUCEWRRSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215299105 855097604 /nfs/dbraw/zinc/09/76/04/855097604.db2.gz XMTYVOIIBFFMHH-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474437 855119985 /nfs/dbraw/zinc/11/99/85/855119985.db2.gz RQERCIYLUQMYSJ-BZUAXINKSA-N 2 0 355.527 0.717 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215539969 855126271 /nfs/dbraw/zinc/12/62/71/855126271.db2.gz FSUIEEVGNUVAGQ-BZUAXINKSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539865 855126489 /nfs/dbraw/zinc/12/64/89/855126489.db2.gz AVRHXKOLYWYYKH-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536059 855126576 /nfs/dbraw/zinc/12/65/76/855126576.db2.gz GCRRMNGULITNNA-OWCLPIDISA-N 2 0 354.495 0.060 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215539968 855126647 /nfs/dbraw/zinc/12/66/47/855126647.db2.gz FSUIEEVGNUVAGQ-ARFHVFGLSA-N 2 0 359.536 0.590 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541356 855126988 /nfs/dbraw/zinc/12/69/88/855126988.db2.gz ZARLDFRVWRBRBW-ARFHVFGLSA-N 2 0 353.511 0.472 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1)[NH+](C)C ZINC001215574698 855129073 /nfs/dbraw/zinc/12/90/73/855129073.db2.gz BJISDMIEXJFPKT-OAGGEKHMSA-N 2 0 361.552 0.976 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1)[NH+]1CCCC1 ZINC001215598731 855131299 /nfs/dbraw/zinc/13/12/99/855131299.db2.gz HLCXFVCPWBZFAX-IJEWVQPXSA-N 2 0 367.519 0.976 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216001800 855164340 /nfs/dbraw/zinc/16/43/40/855164340.db2.gz JVLSSYJCYOBIEV-UKRRQHHQSA-N 2 0 354.520 0.997 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001216053797 855166842 /nfs/dbraw/zinc/16/68/42/855166842.db2.gz YEIHCJNDNGEYDY-NVXWUHKLSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216226133 855180525 /nfs/dbraw/zinc/18/05/25/855180525.db2.gz NKKMFEWNTZVUFF-ZIAGYGMSSA-N 2 0 367.519 0.884 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)CS(C)(=O)=O ZINC001216409966 855200385 /nfs/dbraw/zinc/20/03/85/855200385.db2.gz OSJLWNSVVJMXIX-RBSFLKMASA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216459216 855205050 /nfs/dbraw/zinc/20/50/50/855205050.db2.gz RNDGYOBAVXYQLO-IXDOHACOSA-N 2 0 351.495 0.412 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216511422 855209217 /nfs/dbraw/zinc/20/92/17/855209217.db2.gz RRIQSMLTZLMHDM-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216511591 855209532 /nfs/dbraw/zinc/20/95/32/855209532.db2.gz VXHGQEVNSYZPSD-ZIAGYGMSSA-N 2 0 367.519 0.884 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216510855 855210081 /nfs/dbraw/zinc/21/00/81/855210081.db2.gz AWMXUCOWIKIPNG-HUUCEWRRSA-N 2 0 362.540 0.046 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216756266 855233170 /nfs/dbraw/zinc/23/31/70/855233170.db2.gz ZXFOPNREKLKELB-HUUCEWRRSA-N 2 0 353.511 0.616 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001216833952 855252286 /nfs/dbraw/zinc/25/22/86/855252286.db2.gz BZBDLUWYARSPMZ-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001216980542 855273197 /nfs/dbraw/zinc/27/31/97/855273197.db2.gz LWPVRCNBOIJXFU-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217976808 855388285 /nfs/dbraw/zinc/38/82/85/855388285.db2.gz LZVOBKLNNQICAD-UWVGGRQHSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217976809 855388675 /nfs/dbraw/zinc/38/86/75/855388675.db2.gz LZVOBKLNNQICAD-VHSXEESVSA-N 2 0 356.398 0.230 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218017262 855389387 /nfs/dbraw/zinc/38/93/87/855389387.db2.gz TWWGTMAGCUJVCN-NXEZZACHSA-N 2 0 356.398 0.230 20 0 FCADRP CC[NH+](CC)C[C@@H](C)Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c1=O ZINC001218192493 855406548 /nfs/dbraw/zinc/40/65/48/855406548.db2.gz IXHFDSFHBHHNBR-LLVKDONJSA-N 2 0 354.451 0.870 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218355374 855417606 /nfs/dbraw/zinc/41/76/06/855417606.db2.gz MRWQYLPCQYXXDW-RCCFBDPRSA-N 2 0 351.491 0.809 20 0 FCADRP Nc1ncc(Br)nc1N(CC1CC1)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218635181 855455177 /nfs/dbraw/zinc/45/51/77/855455177.db2.gz KLUSHMQJLQZABP-VIFPVBQESA-N 2 0 357.256 0.631 20 0 FCADRP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218661794 855459235 /nfs/dbraw/zinc/45/92/35/855459235.db2.gz RMYRPYJBDKIHJR-CYBMUJFWSA-N 2 0 352.460 0.606 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668940 855460660 /nfs/dbraw/zinc/46/06/60/855460660.db2.gz KUFNWGAOZLYQFN-INIZCTEOSA-N 2 0 352.483 0.213 20 0 FCADRP Nc1cnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(I)c1 ZINC001218678640 855463663 /nfs/dbraw/zinc/46/36/63/855463663.db2.gz AMHVHVXIXUDHLL-QMMMGPOBSA-N 2 0 373.198 0.016 20 0 FCADRP COc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ncc1C(F)(F)F ZINC001218796497 855480261 /nfs/dbraw/zinc/48/02/61/855480261.db2.gz ZEGURCHQDXKOCS-NSHDSACASA-N 2 0 361.368 0.798 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826665 855484090 /nfs/dbraw/zinc/48/40/90/855484090.db2.gz WIKFCASLTPAYEE-OKZBNKHCSA-N 2 0 353.507 0.791 20 0 FCADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001218896901 855492955 /nfs/dbraw/zinc/49/29/55/855492955.db2.gz BZCQAPZBTMGBFY-AWEZNQCLSA-N 2 0 351.472 0.638 20 0 FCADRP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]cnc3C)[C@H]2C1 ZINC001219010426 855511760 /nfs/dbraw/zinc/51/17/60/855511760.db2.gz QTRPKUWCRCERJW-DLBZAZTESA-N 2 0 350.463 0.989 20 0 FCADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Br)c2c1C(=O)NC2 ZINC001219444590 855673305 /nfs/dbraw/zinc/67/33/05/855673305.db2.gz WBHSNLWUHFIEMT-SNVBAGLBSA-N 2 0 364.203 0.924 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580713 855721574 /nfs/dbraw/zinc/72/15/74/855721574.db2.gz QSWYKGAQNBQFKL-XQQFMLRXSA-N 2 0 360.252 0.026 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635998 855747965 /nfs/dbraw/zinc/74/79/65/855747965.db2.gz UOUIIPINAVDOHZ-SOUVJXGZSA-N 2 0 368.478 0.180 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001219649463 855754865 /nfs/dbraw/zinc/75/48/65/855754865.db2.gz JISZTHLTHBLQBF-WOPDTQHZSA-N 2 0 352.401 0.524 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001219714815 855782710 /nfs/dbraw/zinc/78/27/10/855782710.db2.gz YVRLQMVADXCFFW-FMKPAKJESA-N 2 0 368.275 0.563 20 0 FCADRP [NH3+][C@@H]1CCCN([C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)c2ccsc2)C1 ZINC001219736814 855792518 /nfs/dbraw/zinc/79/25/18/855792518.db2.gz IGLSRAYIFPDQMA-OAGGEKHMSA-N 2 0 364.515 0.707 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777967 855809640 /nfs/dbraw/zinc/80/96/40/855809640.db2.gz VMGUAJCFXGYWKO-LBPRGKRZSA-N 2 0 364.412 0.811 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796557 855817336 /nfs/dbraw/zinc/81/73/36/855817336.db2.gz GWIKIXJMOXEGEG-KURKYZTESA-N 2 0 353.507 0.981 20 0 FCADRP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796700 855817673 /nfs/dbraw/zinc/81/76/73/855817673.db2.gz MSWMEEHZXMLHCS-BBWFWOEESA-N 2 0 357.495 0.074 20 0 FCADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798016 855818342 /nfs/dbraw/zinc/81/83/42/855818342.db2.gz CKNOYGKVYWKABM-KURKYZTESA-N 2 0 355.523 0.942 20 0 FCADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219800813 855819923 /nfs/dbraw/zinc/81/99/23/855819923.db2.gz NTDKTWQTWRCWDV-HOTGVXAUSA-N 3 0 350.507 0.335 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CCC1 ZINC001219802628 855820814 /nfs/dbraw/zinc/82/08/14/855820814.db2.gz XSTLVOSTYXPGDS-ZACQAIPSSA-N 2 0 353.507 0.573 20 0 FCADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219803622 855821070 /nfs/dbraw/zinc/82/10/70/855821070.db2.gz BATWVZRXVBTWBZ-SQNIBIBYSA-N 2 0 353.507 0.695 20 0 FCADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812941 855828440 /nfs/dbraw/zinc/82/84/40/855828440.db2.gz MBBILJSCNWCJOI-CHIMOYNISA-N 2 0 374.304 0.733 20 0 FCADRP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813692 855828491 /nfs/dbraw/zinc/82/84/91/855828491.db2.gz ZOLOAWSTHAJANH-LZWOXQAQSA-N 2 0 357.376 0.927 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c2ccsc2)C1 ZINC001219831405 855835789 /nfs/dbraw/zinc/83/57/89/855835789.db2.gz JSIYYZOYUSJCTI-BPKGMFCQSA-N 2 0 364.515 0.705 20 0 FCADRP [NH3+][C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834322 855837298 /nfs/dbraw/zinc/83/72/98/855837298.db2.gz PLPWOXCCTOXLRU-QBIMZIAESA-N 2 0 351.422 0.207 20 0 FCADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219849877 855845449 /nfs/dbraw/zinc/84/54/49/855845449.db2.gz IUBNTCMOALPRFT-QCEMKRCNSA-N 2 0 353.463 0.320 20 0 FCADRP COc1ccc(Br)cc1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219912272 855876713 /nfs/dbraw/zinc/87/67/13/855876713.db2.gz XEWXTKCWUJSFDM-ZDUSSCGKSA-N 2 0 368.275 0.925 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931553 855885993 /nfs/dbraw/zinc/88/59/93/855885993.db2.gz VDWBBCVERWQZKC-HNNXBMFYSA-N 2 0 365.503 0.319 20 0 FCADRP COc1ccc(O[C@H](C)CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219947875 855892547 /nfs/dbraw/zinc/89/25/47/855892547.db2.gz GKHZVHFGYZPJLC-DYVFJYSZSA-N 2 0 350.463 0.329 20 0 FCADRP Cc1nn(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(C)c1Br ZINC001219997451 855911228 /nfs/dbraw/zinc/91/12/28/855911228.db2.gz XFUCRJJSGZNEIS-ZDUSSCGKSA-N 2 0 358.284 0.706 20 0 FCADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CSCc2ccc(C)cc2)CC[NH2+]CC1 ZINC001220001873 855913041 /nfs/dbraw/zinc/91/30/41/855913041.db2.gz YWRPBDZYUFHCJM-HNNXBMFYSA-N 2 0 365.499 0.967 20 0 FCADRP COC(=O)C1(NC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC001220001826 855913123 /nfs/dbraw/zinc/91/31/23/855913123.db2.gz YHMKONHVCOOKRC-LBPRGKRZSA-N 2 0 355.385 0.636 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022622 855923850 /nfs/dbraw/zinc/92/38/50/855923850.db2.gz JIHKOLOUZFKYMX-DCAQKATOSA-N 2 0 353.492 0.363 20 0 FCADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057908 855937730 /nfs/dbraw/zinc/93/77/30/855937730.db2.gz LCDFSGQKPSAFPF-FGTMMUONSA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)CCCCC1 ZINC001220072038 855946041 /nfs/dbraw/zinc/94/60/41/855946041.db2.gz BVICPYYEORPQJU-BBWFWOEESA-N 2 0 353.507 0.696 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC001220150021 855983173 /nfs/dbraw/zinc/98/31/73/855983173.db2.gz NFVYKIRJCLVDQW-QLFBSQMISA-N 2 0 350.488 0.217 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)CC1 ZINC001220230896 856023718 /nfs/dbraw/zinc/02/37/18/856023718.db2.gz STUXVEBMCHSTBA-SJORKVTESA-N 2 0 353.507 0.696 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220315699 856061487 /nfs/dbraw/zinc/06/14/87/856061487.db2.gz HFKNJKZMRPNDBW-BXWFABGCSA-N 3 0 350.507 0.478 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001220318938 856063921 /nfs/dbraw/zinc/06/39/21/856063921.db2.gz BZZJTZCLHAQWII-LRDDRELGSA-N 2 0 351.476 0.194 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC[NH2+]C1 ZINC001220521982 856165352 /nfs/dbraw/zinc/16/53/52/856165352.db2.gz WERVVGCRMAZURK-ACJLOTCBSA-N 2 0 351.447 0.462 20 0 FCADRP CC(C)([NH3+])CN(C(=O)C[C@@H]1COCC[NH2+]1)S(=O)(=O)c1ccccc1 ZINC001220535420 856171013 /nfs/dbraw/zinc/17/10/13/856171013.db2.gz AXSQNECOCMHQIV-CYBMUJFWSA-N 2 0 355.460 0.320 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(Br)cc1 ZINC001220608178 856204770 /nfs/dbraw/zinc/20/47/70/856204770.db2.gz RWEXYLBLGDIFDY-XNRPHZJLSA-N 3 0 367.291 0.764 20 0 FCADRP COCCCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637960 856215106 /nfs/dbraw/zinc/21/51/06/856215106.db2.gz PRQJLWQIBLOVMI-SJORKVTESA-N 2 0 357.495 0.075 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1cccnc1N1CC[NH2+]CC1 ZINC001220802947 856308166 /nfs/dbraw/zinc/30/81/66/856308166.db2.gz AJXMJIHNVFBBPK-CHWSQXEVSA-N 2 0 357.380 0.761 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001220803101 856308328 /nfs/dbraw/zinc/30/83/28/856308328.db2.gz BUZDXABUUJAJMA-FRRDWIJNSA-N 2 0 358.364 0.312 20 0 FCADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1csc(N2CC[NH2+]CC2)n1 ZINC001220806211 856309075 /nfs/dbraw/zinc/30/90/75/856309075.db2.gz ZAPAPAQNUIQZHV-VHSXEESVSA-N 2 0 363.409 0.823 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220855271 856338836 /nfs/dbraw/zinc/33/88/36/856338836.db2.gz SJEUBTMXTSNQQJ-OAHLLOKOSA-N 2 0 351.472 0.176 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220896177 856363341 /nfs/dbraw/zinc/36/33/41/856363341.db2.gz DCNNMQCNQHAYKO-OAHLLOKOSA-N 2 0 366.487 0.199 20 0 FCADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001220908899 856369254 /nfs/dbraw/zinc/36/92/54/856369254.db2.gz CHXGTYVPTKRMRB-AUUYWEPGSA-N 3 0 350.507 0.381 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220935910 856385116 /nfs/dbraw/zinc/38/51/16/856385116.db2.gz ANJWJURMTSUBSR-PMPSAXMXSA-N 2 0 356.511 0.385 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001220986023 856408967 /nfs/dbraw/zinc/40/89/67/856408967.db2.gz OSTPFQHVVBNVJE-JQHSSLGASA-N 2 0 353.507 0.696 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220994167 856411979 /nfs/dbraw/zinc/41/19/79/856411979.db2.gz DTSWPTGJTRQGQT-KURKYZTESA-N 2 0 353.507 0.840 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130470 856474942 /nfs/dbraw/zinc/47/49/42/856474942.db2.gz TTXCQQYOGHGXJQ-QGZVFWFLSA-N 3 0 351.539 0.413 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221154694 856488330 /nfs/dbraw/zinc/48/83/30/856488330.db2.gz AYYUSWPZCKROFE-OAHLLOKOSA-N 2 0 354.476 0.299 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001221272189 856534822 /nfs/dbraw/zinc/53/48/22/856534822.db2.gz YKGPSHNFVVEXBA-SMFUYQKNSA-N 3 0 362.458 0.458 20 0 FCADRP Cc1ncsc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221328928 856549819 /nfs/dbraw/zinc/54/98/19/856549819.db2.gz ORKDRDZGBCXVCA-KBPBESRZSA-N 2 0 367.519 0.558 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414585 856560349 /nfs/dbraw/zinc/56/03/49/856560349.db2.gz VEKZQCREQXWGPA-OAGGEKHMSA-N 2 0 355.866 0.798 20 0 FCADRP COCC[N@H+](C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414580 856560518 /nfs/dbraw/zinc/56/05/18/856560518.db2.gz VEKZQCREQXWGPA-BZUAXINKSA-N 2 0 355.866 0.798 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776996 856678420 /nfs/dbraw/zinc/67/84/20/856678420.db2.gz NHXUGDXCVHBYDS-FGTMMUONSA-N 2 0 355.523 0.894 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848828 856710088 /nfs/dbraw/zinc/71/00/88/856710088.db2.gz ILXSUVGVKQFEOC-QZTJIDSGSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)C(C)C ZINC001221877866 856719859 /nfs/dbraw/zinc/71/98/59/856719859.db2.gz NBIXDNABDSLZLP-KURKYZTESA-N 2 0 355.523 0.894 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200427 856900165 /nfs/dbraw/zinc/90/01/65/856900165.db2.gz LWYOLAZTIKYLFR-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245365 856903663 /nfs/dbraw/zinc/90/36/63/856903663.db2.gz AFTIQBRTIFZVJA-ZACQAIPSSA-N 2 0 353.507 0.791 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430209 856915161 /nfs/dbraw/zinc/91/51/61/856915161.db2.gz JGLNQCYZIPOZLC-SJORKVTESA-N 2 0 354.495 0.014 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223412007 856915359 /nfs/dbraw/zinc/91/53/59/856915359.db2.gz XFUFBQRQLVREGJ-AEFFLSMTSA-N 2 0 353.507 0.914 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505487 856921729 /nfs/dbraw/zinc/92/17/29/856921729.db2.gz DZAQKVRUFJMJMX-BBWFWOEESA-N 2 0 350.507 0.729 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223726321 856939239 /nfs/dbraw/zinc/93/92/39/856939239.db2.gz DONVPPHQXAEXRV-CVEARBPZSA-N 2 0 351.495 0.276 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223954745 856952465 /nfs/dbraw/zinc/95/24/65/856952465.db2.gz BNNYPTQOWOBINL-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225347035 857036211 /nfs/dbraw/zinc/03/62/11/857036211.db2.gz VFNWVUVLMFWCFV-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346973 857036409 /nfs/dbraw/zinc/03/64/09/857036409.db2.gz TWTOACULNXSWOX-BZUAXINKSA-N 2 0 354.495 0.250 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297590 857095870 /nfs/dbraw/zinc/09/58/70/857095870.db2.gz VZCCAJVWZMSKJV-BZUAXINKSA-N 2 0 357.520 0.390 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001226334345 857098390 /nfs/dbraw/zinc/09/83/90/857098390.db2.gz SOJPJSSTCORCLY-MWQQHZPXSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001226782318 857125451 /nfs/dbraw/zinc/12/54/51/857125451.db2.gz KNIOYQOGGHUIIO-MGPQQGTHSA-N 2 0 350.463 0.293 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226891977 857130234 /nfs/dbraw/zinc/13/02/34/857130234.db2.gz XCTNPVMUOBPCIS-ARFHVFGLSA-N 2 0 359.536 0.922 20 0 FCADRP CC(C)NC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444425 857160545 /nfs/dbraw/zinc/16/05/45/857160545.db2.gz REGJJPXOGOGLDJ-GDBMZVCRSA-N 2 0 353.511 0.615 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254542 857198428 /nfs/dbraw/zinc/19/84/28/857198428.db2.gz ACNUJNNUTYOTTA-ZIAGYGMSSA-N 2 0 355.483 0.191 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001228603709 857218145 /nfs/dbraw/zinc/21/81/45/857218145.db2.gz SEQQYRBIGPGIDW-DJIMGWMZSA-N 2 0 350.507 0.871 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001228624024 857220270 /nfs/dbraw/zinc/22/02/70/857220270.db2.gz QPYJDMAABOYXKP-CHWSQXEVSA-N 2 0 355.483 0.176 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229495209 857272503 /nfs/dbraw/zinc/27/25/03/857272503.db2.gz CGBKEIDIBLESKW-GVDBMIGSSA-N 2 0 351.495 0.603 20 0 FCADRP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001229682362 857281954 /nfs/dbraw/zinc/28/19/54/857281954.db2.gz ADFPFJSZRHRBNO-DJIMGWMZSA-N 2 0 350.507 0.966 20 0 FCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711106 857283563 /nfs/dbraw/zinc/28/35/63/857283563.db2.gz WFBUVAWOBSQLRV-HZPDHXFCSA-N 2 0 356.511 0.450 20 0 FCADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+](C)C)nc1=O ZINC001229808216 857287885 /nfs/dbraw/zinc/28/78/85/857287885.db2.gz PFYUTYNGDCKSII-ZIAGYGMSSA-N 2 0 352.483 0.357 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229877165 857291324 /nfs/dbraw/zinc/29/13/24/857291324.db2.gz MJWOCWDNCDUINN-BRWVUGGUSA-N 2 0 351.495 0.603 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149254 857308237 /nfs/dbraw/zinc/30/82/37/857308237.db2.gz BIHJXYFZRCEMBJ-ARFHVFGLSA-N 2 0 354.495 0.108 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230274582 857322460 /nfs/dbraw/zinc/32/24/60/857322460.db2.gz AOOYOTLJZWOZAE-BFHYXJOUSA-N 2 0 355.483 0.188 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@H]1CNCCO1)C2 ZINC001235326345 857422618 /nfs/dbraw/zinc/42/26/18/857422618.db2.gz WNOMHCJHCOKOQO-JTDSTZFVSA-N 2 0 351.491 0.620 20 0 FCADRP [NH3+]CCCC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001235614025 857429989 /nfs/dbraw/zinc/42/99/89/857429989.db2.gz BOMVDJUYFDEJOW-UHFFFAOYSA-N 3 0 352.523 0.761 20 0 FCADRP Nc1ccc(OC(F)(F)F)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868883 857432615 /nfs/dbraw/zinc/43/26/15/857432615.db2.gz BHDOJWHNTAEUGL-UHFFFAOYSA-N 2 0 361.412 0.752 20 0 FCADRP COC(=O)c1ccc(OC)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235872160 857433494 /nfs/dbraw/zinc/43/34/94/857433494.db2.gz YYWKNLHBDVMFFH-UHFFFAOYSA-N 2 0 350.463 0.066 20 0 FCADRP Oc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(OC(F)(F)F)c1 ZINC001235874990 857434425 /nfs/dbraw/zinc/43/44/25/857434425.db2.gz YRCWMBWZLKOWRU-UHFFFAOYSA-N 2 0 362.396 0.875 20 0 FCADRP COc1cc(CN(CC[NH3+])CC[NH3+])ccc1OCCN1CCOCC1 ZINC001235876850 857434257 /nfs/dbraw/zinc/43/42/57/857434257.db2.gz JVHDLWHTHADGBZ-UHFFFAOYSA-N 2 0 352.479 0.126 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]1C2 ZINC001236020964 857435951 /nfs/dbraw/zinc/43/59/51/857435951.db2.gz APSAPYIBYRXOSV-NPSOMJIGSA-N 2 0 353.463 0.842 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccnn1[C@H]1CCCCO1 ZINC001236309448 857438255 /nfs/dbraw/zinc/43/82/55/857438255.db2.gz NZWGEDVOLYPGPC-QGZVFWFLSA-N 2 0 352.483 0.198 20 0 FCADRP CCOc1cc(F)c(F)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311171 857438939 /nfs/dbraw/zinc/43/89/39/857438939.db2.gz GFDLFHPXZMQLOJ-UHFFFAOYSA-N 2 0 358.433 0.979 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c2nccc(Cl)c12 ZINC001236311273 857439020 /nfs/dbraw/zinc/43/90/20/857439020.db2.gz GUFJWCWFWPFESI-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP C[NH+](C)Cc1cc(F)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236312464 857439779 /nfs/dbraw/zinc/43/97/79/857439779.db2.gz UBPQGAVOWWCCHE-UHFFFAOYSA-N 3 0 353.486 0.503 20 0 FCADRP Cn1nc(C(F)F)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1Cl ZINC001236312454 857439845 /nfs/dbraw/zinc/43/98/45/857439845.db2.gz SOPGZQDTQDZRFV-UHFFFAOYSA-N 2 0 366.844 0.627 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c2cc(Cl)ncc12 ZINC001236311931 857439986 /nfs/dbraw/zinc/43/99/86/857439986.db2.gz LKXNFJSCMKVZNW-UHFFFAOYSA-N 2 0 352.870 0.832 20 0 FCADRP C[NH+]1CCN(c2ccc(NS(=O)(=O)CC3CC[NH2+]CC3)cn2)CC1 ZINC001237480380 857453182 /nfs/dbraw/zinc/45/31/82/857453182.db2.gz OKTJJJDANJYFKO-UHFFFAOYSA-N 2 0 353.492 0.575 20 0 FCADRP O=C1Cc2cc(S(=O)(=O)NC[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccc2N1 ZINC001238240363 857464922 /nfs/dbraw/zinc/46/49/22/857464922.db2.gz HQBOJBXPYKZSHW-CYBMUJFWSA-N 2 0 364.471 0.334 20 0 FCADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc2nccnc21 ZINC001238241712 857465094 /nfs/dbraw/zinc/46/50/94/857465094.db2.gz KVSCDGBLTPSHPA-ZDUSSCGKSA-N 2 0 361.471 0.782 20 0 FCADRP CN(C)C(=O)CN1CCO[C@H]2CN(CC3(C[NH+](C)C)CCCC3)C[C@H]21 ZINC001279493258 862914894 /nfs/dbraw/zinc/91/48/94/862914894.db2.gz ZMEGEVLYACJBMT-SJORKVTESA-N 2 0 352.523 0.582 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001238807509 857480562 /nfs/dbraw/zinc/48/05/62/857480562.db2.gz HNBPBQLHJUBYSM-UHFFFAOYSA-N 2 0 359.536 0.796 20 0 FCADRP COc1cccc(CC2(NS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001238812374 857480614 /nfs/dbraw/zinc/48/06/14/857480614.db2.gz RGBXUFORUYSJCL-MRXNPFEDSA-N 2 0 353.488 0.641 20 0 FCADRP O=S(=O)(NCC1(Cc2ccccn2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238845174 857484624 /nfs/dbraw/zinc/48/46/24/857484624.db2.gz BHXJZRSWQWBKAS-UHFFFAOYSA-N 2 0 352.504 0.665 20 0 FCADRP COc1ccccc1CC1(NS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001238858765 857484885 /nfs/dbraw/zinc/48/48/85/857484885.db2.gz KGCWJCFLMPMSDG-OAHLLOKOSA-N 2 0 353.488 0.641 20 0 FCADRP CCOC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001238879613 857485643 /nfs/dbraw/zinc/48/56/43/857485643.db2.gz NDQBODJOUMCSRB-UHFFFAOYSA-N 2 0 357.476 0.860 20 0 FCADRP CCOC(=O)[C@@H]1CC2(CN1S(=O)(=O)CC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001239000747 857498344 /nfs/dbraw/zinc/49/83/44/857498344.db2.gz NMWPHGXRXQJIPW-HNNXBMFYSA-N 2 0 373.519 0.323 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001239075962 857505089 /nfs/dbraw/zinc/50/50/89/857505089.db2.gz LSZHPBMSZKKOIR-HDICACEKSA-N 2 0 364.515 0.775 20 0 FCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239078143 857508078 /nfs/dbraw/zinc/50/80/78/857508078.db2.gz YNEAGXPOOPZBCC-OAHLLOKOSA-N 2 0 355.508 0.206 20 0 FCADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccccc1I ZINC001239096446 857512638 /nfs/dbraw/zinc/51/26/38/857512638.db2.gz HVEWCZOBAWXDQP-UHFFFAOYSA-N 2 0 369.228 0.199 20 0 FCADRP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001279503848 862921121 /nfs/dbraw/zinc/92/11/21/862921121.db2.gz AIWQGAIIIFEOIA-VHKIVQRHSA-N 2 0 353.507 0.912 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCc1ccc(Cl)cc1 ZINC001239453405 857529617 /nfs/dbraw/zinc/52/96/17/857529617.db2.gz VHTWLPREVFVHRY-UHFFFAOYSA-N 2 0 371.938 0.830 20 0 FCADRP CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020056 857564597 /nfs/dbraw/zinc/56/45/97/857564597.db2.gz HCQOGJXPFCTFHI-USXIJHARSA-N 2 0 350.459 0.753 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246022307 857564924 /nfs/dbraw/zinc/56/49/24/857564924.db2.gz JGOFDUUYMVJGPD-XLAORIBOSA-N 2 0 354.445 0.221 20 0 FCADRP O[C@@H](CN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246029642 857566378 /nfs/dbraw/zinc/56/63/78/857566378.db2.gz RONAHRSPULVGNE-KGLIPLIRSA-N 2 0 365.440 0.858 20 0 FCADRP CCCC[C@H](CC)COC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055942 857566994 /nfs/dbraw/zinc/56/69/94/857566994.db2.gz MYFQAELZRANBNU-RBUKOAKNSA-N 2 0 358.571 0.665 20 0 FCADRP O=C([C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1)N1CCSC1 ZINC001246139133 857569058 /nfs/dbraw/zinc/56/90/58/857569058.db2.gz RWKZKXLMIRPOCC-RDJZCZTQSA-N 2 0 367.563 0.056 20 0 FCADRP O=C([C@@H]1C[C@H](NC[C@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246110991 857569287 /nfs/dbraw/zinc/56/92/87/857569287.db2.gz JSMUAXZAHSZPMQ-GVXVVHGQSA-N 2 0 352.426 0.381 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246159693 857569904 /nfs/dbraw/zinc/56/99/04/857569904.db2.gz ZFTDUEQCDPKRLQ-FNINWESVSA-N 3 0 351.491 0.807 20 0 FCADRP CCOC(=O)C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)OCC)NC1)C1CC[NH2+]CC1 ZINC001246230817 857571298 /nfs/dbraw/zinc/57/12/98/857571298.db2.gz SSLWYAVMOQHBHK-HRCADAONSA-N 2 0 355.479 0.581 20 0 FCADRP CCOC(=O)C1=C(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001246284302 857572487 /nfs/dbraw/zinc/57/24/87/857572487.db2.gz LSWLQSQLKNHNBG-AKJUYKBHSA-N 2 0 351.447 0.459 20 0 FCADRP CCOC(=O)C1(C[NH2+][C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]CC1 ZINC001246315476 857573550 /nfs/dbraw/zinc/57/35/50/857573550.db2.gz ILZMAPXPJYMCBB-KBPBESRZSA-N 2 0 355.479 0.581 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246344208 857573558 /nfs/dbraw/zinc/57/35/58/857573558.db2.gz YVYGRVDXEOSUOJ-USZNOCQGSA-N 2 0 352.426 0.380 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246456139 857579922 /nfs/dbraw/zinc/57/99/22/857579922.db2.gz HVYZVEFYPCJBLP-AWEZNQCLSA-N 3 0 351.513 0.051 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCCC[S@@](C)=O ZINC001246448650 857579689 /nfs/dbraw/zinc/57/96/89/857579689.db2.gz HFPJJMPJNPZNQM-JOCHJYFZSA-N 2 0 350.598 0.835 20 0 FCADRP O=C([C@@H]1C[C@H](N[C@H]([C@H]2CCC[NH2+]C2)C(F)(F)F)C[NH2+]1)N1CCSC1 ZINC001246486411 857581197 /nfs/dbraw/zinc/58/11/97/857581197.db2.gz JEDGRXLOKXWNSV-ZDEQEGDKSA-N 2 0 366.453 0.770 20 0 FCADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545294 857584406 /nfs/dbraw/zinc/58/44/06/857584406.db2.gz AVVRHCVETKNILV-DZGCQCFKSA-N 2 0 352.472 0.896 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H]1C(=O)OC ZINC001246603928 857585641 /nfs/dbraw/zinc/58/56/41/857585641.db2.gz MJZNPPNROHCATP-RRFJBIMHSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246596663 857585658 /nfs/dbraw/zinc/58/56/58/857585658.db2.gz QJMRMQJAVCEXKG-KRXQYRFLSA-N 2 0 353.463 0.145 20 0 FCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)S(C)(=O)=O)cn1 ZINC001246693060 857590492 /nfs/dbraw/zinc/59/04/92/857590492.db2.gz IVPPCBCQORNRDW-BFZKSOEOSA-N 2 0 367.519 0.238 20 0 FCADRP c1csc(COCc2nn([C@@H]3CCNC4(C[NH2+]C4)C3)c3c2C[NH2+]C3)n1 ZINC001246704566 857591916 /nfs/dbraw/zinc/59/19/16/857591916.db2.gz KRWPLEBQBUBCCL-GFCCVEGCSA-N 2 0 360.487 0.926 20 0 FCADRP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733747 857595119 /nfs/dbraw/zinc/59/51/19/857595119.db2.gz BIPSFARUDNUWQU-ZMMAXQRCSA-N 2 0 351.491 0.714 20 0 FCADRP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733744 857595559 /nfs/dbraw/zinc/59/55/59/857595559.db2.gz BIPSFARUDNUWQU-FAJBIJEISA-N 2 0 351.491 0.714 20 0 FCADRP CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246742162 857595999 /nfs/dbraw/zinc/59/59/99/857595999.db2.gz WNPJXZKVLSGGGX-XTMPTPMBSA-N 2 0 351.491 0.998 20 0 FCADRP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC001246760952 857598784 /nfs/dbraw/zinc/59/87/84/857598784.db2.gz RRIKZOZSRYGMMG-KLHDSHLOSA-N 2 0 362.499 0.271 20 0 FCADRP FC(F)(F)c1ccnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246832357 857601831 /nfs/dbraw/zinc/60/18/31/857601831.db2.gz GHTBVDZAQWOPNP-LBPRGKRZSA-N 2 0 356.396 0.711 20 0 FCADRP CCOC(=O)[C@]12C[N@@H+]([C@@H](C)CC(=O)N3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001246856483 857603258 /nfs/dbraw/zinc/60/32/58/857603258.db2.gz VFLIEKYIBQYPOO-HDMKZQKVSA-N 2 0 353.463 0.098 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CN1 ZINC001246854800 857603335 /nfs/dbraw/zinc/60/33/35/857603335.db2.gz HJLSOTVZNSJZNI-ZXFNITATSA-N 2 0 353.463 0.145 20 0 FCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855916 857603403 /nfs/dbraw/zinc/60/34/03/857603403.db2.gz QXGAUBZEFMKGDC-ZXFNITATSA-N 2 0 354.447 0.572 20 0 FCADRP [NH3+][C@@H]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1C(F)(F)F ZINC001246936515 857606185 /nfs/dbraw/zinc/60/61/85/857606185.db2.gz LFXAWBDRFFODMF-QCNOEVLYSA-N 2 0 352.426 0.461 20 0 FCADRP C(C[N@H+](CC1CC[NH2+]CC1)C1C[C@@H]2COC[C@H](C1)N2)N1CCOCC1 ZINC001246933073 857606642 /nfs/dbraw/zinc/60/66/42/857606642.db2.gz GFOKQGLFBRTPLR-DFNIBXOVSA-N 2 0 352.523 0.140 20 0 FCADRP O=S(=O)(c1ccccc1)N1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246964403 857607895 /nfs/dbraw/zinc/60/78/95/857607895.db2.gz YUSIALSRCYIZQI-INIZCTEOSA-N 2 0 364.515 0.477 20 0 FCADRP C[NH+](C)CCNC(=S)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001249837374 857652098 /nfs/dbraw/zinc/65/20/98/857652098.db2.gz GOQPVZQIBLQJFE-UHFFFAOYSA-N 2 0 351.520 0.649 20 0 FCADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H](O)CN1CCOCC1 ZINC001251022217 857684242 /nfs/dbraw/zinc/68/42/42/857684242.db2.gz XWCMMQPNXPDKKY-IBGZPJMESA-N 2 0 358.571 0.665 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251405837 857722452 /nfs/dbraw/zinc/72/24/52/857722452.db2.gz PXMZNBLSWOKUAY-GOSISDBHSA-N 2 0 356.511 0.538 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001251779943 857751115 /nfs/dbraw/zinc/75/11/15/857751115.db2.gz WSUGALVENISFNX-OWCLPIDISA-N 2 0 353.511 0.746 20 0 FCADRP CCCC[C@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252087928 857784200 /nfs/dbraw/zinc/78/42/00/857784200.db2.gz FAMVDGUJTXLAMN-KRWDZBQOSA-N 2 0 354.539 0.708 20 0 FCADRP COCCn1c(=O)ccc2c1CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253405588 857886339 /nfs/dbraw/zinc/88/63/39/857886339.db2.gz HXPIHWPIMHDRHH-HOTGVXAUSA-N 2 0 351.491 0.691 20 0 FCADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520398 857977252 /nfs/dbraw/zinc/97/72/52/857977252.db2.gz XKWCGSNIYSXJFC-VSZNYVQBSA-N 2 0 351.491 0.666 20 0 FCADRP C[N@@H+]1CCC[C@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001254519173 857977286 /nfs/dbraw/zinc/97/72/86/857977286.db2.gz HUAXIDACKLJCHH-AWEZNQCLSA-N 2 0 355.508 0.622 20 0 FCADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685765 857980670 /nfs/dbraw/zinc/98/06/70/857980670.db2.gz IXHAIVCPIJNZAG-NWDGAFQWSA-N 2 0 359.492 0.819 20 0 FCADRP CN(C)S(=O)(=O)N1CCC[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615151 862980272 /nfs/dbraw/zinc/98/02/72/862980272.db2.gz LECHUCYDCXIHAR-QGZVFWFLSA-N 2 0 358.552 0.970 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCOC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279618380 862984040 /nfs/dbraw/zinc/98/40/40/862984040.db2.gz WHNBUSLQCBHVQC-IEBWSBKVSA-N 2 0 352.523 0.631 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC2CC[NH+](C)CC2)c1 ZINC001279629593 862986701 /nfs/dbraw/zinc/98/67/01/862986701.db2.gz XWPHFOAZMGZNDA-HOTGVXAUSA-N 2 0 367.519 0.599 20 0 FCADRP CS(=O)(=O)N1CCC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001257229656 858127870 /nfs/dbraw/zinc/12/78/70/858127870.db2.gz MGEMVUCSJCGZAO-UHFFFAOYSA-N 2 0 359.536 0.891 20 0 FCADRP COC(=O)[C@@H]1CC[C@H](N(CCC[NH3+])CCC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257723893 858156941 /nfs/dbraw/zinc/15/69/41/858156941.db2.gz JGGYYHZSECHXHE-ARFHVFGLSA-N 2 0 357.495 0.720 20 0 FCADRP CC(=O)Nc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001260807782 858426203 /nfs/dbraw/zinc/42/62/03/858426203.db2.gz WSFHMGZHJPCSRK-UHFFFAOYSA-N 2 0 356.492 0.759 20 0 FCADRP CCOC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261320423 858517792 /nfs/dbraw/zinc/51/77/92/858517792.db2.gz BNISKLUTEKHDGB-MRXNPFEDSA-N 2 0 356.511 0.213 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001263108512 859103214 /nfs/dbraw/zinc/10/32/14/859103214.db2.gz ZSZMDDQKPKYJMC-ABHNRTSZSA-N 2 0 350.507 0.384 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001270333117 859718919 /nfs/dbraw/zinc/71/89/19/859718919.db2.gz QKCJABHCXQKATA-HOTGVXAUSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC001270332587 859719142 /nfs/dbraw/zinc/71/91/42/859719142.db2.gz KKMXNBDHCAGWEJ-VQIMIIECSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001270333122 859719206 /nfs/dbraw/zinc/71/92/06/859719206.db2.gz QKCJABHCXQKATA-JKSUJKDBSA-N 2 0 350.507 0.635 20 0 FCADRP CC(C)[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)[NH+](C)C ZINC001273182382 860401631 /nfs/dbraw/zinc/40/16/31/860401631.db2.gz CAHIZCZJYMKTKV-HZPDHXFCSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@H](C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)[NH+]1CCCC1 ZINC001273500749 860509823 /nfs/dbraw/zinc/50/98/23/860509823.db2.gz HMHYCJHWZVMTFX-MJGOQNOKSA-N 2 0 352.523 0.726 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274041324 860665164 /nfs/dbraw/zinc/66/51/64/860665164.db2.gz CKKZVULISANXLF-LJQANCHMSA-N 2 0 354.539 0.973 20 0 FCADRP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274204849 860706635 /nfs/dbraw/zinc/70/66/35/860706635.db2.gz YNAWPVRSLHARQC-UHFFFAOYSA-N 2 0 364.515 0.943 20 0 FCADRP CCCCC[N@H+](C)CCC(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274306016 860727508 /nfs/dbraw/zinc/72/75/08/860727508.db2.gz SMKPMOUUPFVMGP-HDICACEKSA-N 2 0 354.539 0.972 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCCC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001274371544 860738673 /nfs/dbraw/zinc/73/86/73/860738673.db2.gz ZXWJSEMIGZBJRM-UHFFFAOYSA-N 2 0 351.539 0.110 20 0 FCADRP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001275171105 860976548 /nfs/dbraw/zinc/97/65/48/860976548.db2.gz DGQJQKNTCNWZSS-HRCADAONSA-N 2 0 363.531 0.873 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CCCC3OCCO3)C2)C1=O ZINC001275292624 861018042 /nfs/dbraw/zinc/01/80/42/861018042.db2.gz DDPFIHQZBOKCSG-SFHVURJKSA-N 2 0 353.463 0.542 20 0 FCADRP CC[C@@H](C(N)=O)N1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507462 861115465 /nfs/dbraw/zinc/11/54/65/861115465.db2.gz CFUCKEULUDPUQF-KBXCAEBGSA-N 2 0 354.495 0.141 20 0 FCADRP CC[C@H](C(N)=O)N1CCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001275556443 861127530 /nfs/dbraw/zinc/12/75/30/861127530.db2.gz KVIDARKYSUAICA-MRXNPFEDSA-N 2 0 350.507 0.907 20 0 FCADRP CC[C@@H](NC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2)C(N)=O ZINC001275557000 861128690 /nfs/dbraw/zinc/12/86/90/861128690.db2.gz RRCBJOAEVWSKPC-HZPDHXFCSA-N 2 0 350.507 0.810 20 0 FCADRP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275737421 861179787 /nfs/dbraw/zinc/17/97/87/861179787.db2.gz KOGJGEQGAAMKIQ-OAGGEKHMSA-N 2 0 353.463 0.239 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)CC1 ZINC001280125451 863276831 /nfs/dbraw/zinc/27/68/31/863276831.db2.gz JGJYCJBHQGNDRU-HNAYVOBHSA-N 2 0 350.482 0.657 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)CC1 ZINC001280126290 863277950 /nfs/dbraw/zinc/27/79/50/863277950.db2.gz WGYJCQQNKUXVND-INIZCTEOSA-N 2 0 353.532 0.898 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001280137655 863288218 /nfs/dbraw/zinc/28/82/18/863288218.db2.gz METFCKFPCKPHQY-HNNXBMFYSA-N 2 0 357.520 0.249 20 0 FCADRP CS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280138442 863289041 /nfs/dbraw/zinc/28/90/41/863289041.db2.gz YUZSDGQVJJFLEH-FUHWJXTLSA-N 2 0 371.547 0.639 20 0 FCADRP C[NH+](C)CCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280218227 863343822 /nfs/dbraw/zinc/34/38/22/863343822.db2.gz HBQJDTBRKCSTHZ-MLHJIOFPSA-N 2 0 352.523 0.314 20 0 FCADRP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259057 863366778 /nfs/dbraw/zinc/36/67/78/863366778.db2.gz VODKAOHTIQIKHI-BDXSIMOUSA-N 2 0 353.507 0.912 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281856677 863829564 /nfs/dbraw/zinc/82/95/64/863829564.db2.gz HDVXVGALLMWLIY-KLHDSHLOSA-N 2 0 354.495 0.009 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001294758894 865854012 /nfs/dbraw/zinc/85/40/12/865854012.db2.gz VLMGZURLOCUPDU-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC001350205506 866530786 /nfs/dbraw/zinc/53/07/86/866530786.db2.gz XOJFSQFHNQQZRX-UYTSQGDYSA-N 2 0 351.495 0.463 20 0 FCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001308186519 866708302 /nfs/dbraw/zinc/70/83/02/866708302.db2.gz ZLICTYFBJIFVJQ-UHFFFAOYSA-N 2 0 350.511 0.292 20 0 FCADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001308937350 866725021 /nfs/dbraw/zinc/72/50/21/866725021.db2.gz WVDZFZQQLNFUQN-UPTPFMHGSA-N 2 0 351.491 0.905 20 0 FCADRP COc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)sn1 ZINC001309419082 866800622 /nfs/dbraw/zinc/80/06/22/866800622.db2.gz VURAQESFLWQPBN-UHFFFAOYSA-N 2 0 362.521 0.798 20 0 FCADRP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001351213625 866815049 /nfs/dbraw/zinc/81/50/49/866815049.db2.gz UFWJWNICCRAJCN-BHYGNILZSA-N 2 0 353.511 0.173 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@](O)(C(F)F)C3)CC2)CC1 ZINC001311776117 867119777 /nfs/dbraw/zinc/11/97/77/867119777.db2.gz CGDCUZPWXLDDDN-QGZVFWFLSA-N 2 0 360.449 0.957 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC001352850316 867274886 /nfs/dbraw/zinc/27/48/86/867274886.db2.gz QTHISHWZUOZRPP-ZYHUDNBSSA-N 2 0 360.384 0.802 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001353049321 867332270 /nfs/dbraw/zinc/33/22/70/867332270.db2.gz VUNCORPYXLWGTR-HNNXBMFYSA-N 2 0 354.495 0.239 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)c1ccnc(N3CC[NH2+]CC3)c1)C2 ZINC001353134032 867356840 /nfs/dbraw/zinc/35/68/40/867356840.db2.gz IUDGUVFYSCIOHF-UHFFFAOYSA-N 2 0 358.471 0.605 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001353149412 867360727 /nfs/dbraw/zinc/36/07/27/867360727.db2.gz MDCADLIJXLJGND-ZIFCJYIRSA-N 2 0 350.507 0.289 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC001353331265 867397942 /nfs/dbraw/zinc/39/79/42/867397942.db2.gz YLLFDECTYXIZBZ-YESZJQIVSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353507497 867439400 /nfs/dbraw/zinc/43/94/00/867439400.db2.gz NWVUWSIBTDXDNA-IRXDYDNUSA-N 2 0 353.511 0.306 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001318975598 867794259 /nfs/dbraw/zinc/79/42/59/867794259.db2.gz XIHSVEULNGJQEO-RDJZCZTQSA-N 2 0 353.511 0.032 20 0 FCADRP C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001356254202 867964037 /nfs/dbraw/zinc/96/40/37/867964037.db2.gz SDLHVCFPOQHIDS-WFASDCNBSA-N 2 0 351.520 0.974 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)[N@H+]1CCO ZINC001357559706 868133853 /nfs/dbraw/zinc/13/38/53/868133853.db2.gz HUHVMQRMITYECF-XHSDSOJGSA-N 2 0 354.495 0.242 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@H]21 ZINC001357591228 868139274 /nfs/dbraw/zinc/13/92/74/868139274.db2.gz RDKFRLNZORTFKL-QLFBSQMISA-N 2 0 350.463 0.407 20 0 FCADRP CN(Cc1ccccc1F)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001325697316 869990293 /nfs/dbraw/zinc/99/02/93/869990293.db2.gz GSBABWQTCRWSER-UHFFFAOYSA-N 2 0 352.454 0.736 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325714113 869997008 /nfs/dbraw/zinc/99/70/08/869997008.db2.gz WXJYVMWVBVSKED-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC001325830566 870051725 /nfs/dbraw/zinc/05/17/25/870051725.db2.gz XUQXZPFHEBJUDB-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP COCC1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]CC1 ZINC001326051769 870153947 /nfs/dbraw/zinc/15/39/47/870153947.db2.gz XIIIHQPSXRJLEX-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001343243706 870316533 /nfs/dbraw/zinc/31/65/33/870316533.db2.gz SNCPBUYNJORUKD-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539292 870371267 /nfs/dbraw/zinc/37/12/67/870371267.db2.gz LYDLRBYLOKVGFB-AHCXZYCDSA-N 2 0 351.491 0.985 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001343434013 870423564 /nfs/dbraw/zinc/42/35/64/870423564.db2.gz LPLXVMBIYDGCTB-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001327498169 870909172 /nfs/dbraw/zinc/90/91/72/870909172.db2.gz ICEFIRVKVCXNAB-UONOGXRCSA-N 2 0 363.428 0.702 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001344896562 871087318 /nfs/dbraw/zinc/08/73/18/871087318.db2.gz IGXCDIXZQVIIRA-KRWDZBQOSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3nccs3)CC2)CC[N@@H+]1C ZINC001328166918 871259733 /nfs/dbraw/zinc/25/97/33/871259733.db2.gz OXWIXRNUPBINTO-ZIAGYGMSSA-N 2 0 352.504 0.926 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC001329240846 871907418 /nfs/dbraw/zinc/90/74/18/871907418.db2.gz KXIYOYVORRJKSB-XQQFMLRXSA-N 2 0 364.412 0.382 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001329316498 871950556 /nfs/dbraw/zinc/95/05/56/871950556.db2.gz NXUPUBQNQWICBL-MRXNPFEDSA-N 2 0 360.524 0.148 20 0 FCADRP COC1(OC)CC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC001347325737 872276924 /nfs/dbraw/zinc/27/69/24/872276924.db2.gz BDYIMKJTOBXSSA-UHFFFAOYSA-N 2 0 354.495 0.996 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001330691794 872768261 /nfs/dbraw/zinc/76/82/61/872768261.db2.gz RSEVTBMRKAXRPB-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001331043745 872929299 /nfs/dbraw/zinc/92/92/99/872929299.db2.gz WBXACKLALOEWHZ-BZNIZROVSA-N 2 0 354.405 0.966 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001331605395 873159569 /nfs/dbraw/zinc/15/95/69/873159569.db2.gz ZVPYHGTYTYJXKQ-FVQBIDKESA-N 2 0 352.479 0.132 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)C[C@@H]21 ZINC001331705958 873206445 /nfs/dbraw/zinc/20/64/45/873206445.db2.gz FHEHCRXGJOUUMI-WISYIIOYSA-N 2 0 354.405 0.950 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001332689878 873618250 /nfs/dbraw/zinc/61/82/50/873618250.db2.gz BSJSEVBKFBLWFG-BXWFABGCSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001332977306 873743414 /nfs/dbraw/zinc/74/34/14/873743414.db2.gz VNIWZKAVWVPCQR-BDJLRTHQSA-N 2 0 354.405 0.966 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001332994152 873751682 /nfs/dbraw/zinc/75/16/82/873751682.db2.gz ONCHBOBNKUECGZ-AWEZNQCLSA-N 2 0 364.471 0.645 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001333262691 873882008 /nfs/dbraw/zinc/88/20/08/873882008.db2.gz RIESZAHYVCVVEX-SQNIBIBYSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926205 948991263 /nfs/dbraw/zinc/99/12/63/948991263.db2.gz KVYIHVGXFVNROQ-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575271531 949619664 /nfs/dbraw/zinc/61/96/64/949619664.db2.gz KLNFTWNOPRDSLK-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718454 949782462 /nfs/dbraw/zinc/78/24/62/949782462.db2.gz XKPXPRNLWIDSQN-KGLIPLIRSA-N 2 0 372.477 0.817 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576193613 950308675 /nfs/dbraw/zinc/30/86/75/950308675.db2.gz UTZZBORUVXXCGS-STQMWFEESA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196461 950364888 /nfs/dbraw/zinc/36/48/88/950364888.db2.gz FAHOEVJSRVCRJY-UONOGXRCSA-N 2 0 370.461 0.286 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576205570 950524499 /nfs/dbraw/zinc/52/44/99/950524499.db2.gz KBBNJJFRDLRASA-AWEZNQCLSA-N 2 0 369.473 0.757 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227918 950925929 /nfs/dbraw/zinc/92/59/29/950925929.db2.gz FSISQYZWTSWNQL-IUODEOHRSA-N 2 0 370.461 0.284 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001570996175 951010501 /nfs/dbraw/zinc/01/05/01/951010501.db2.gz OONLDAXGMHUFMF-KRWDZBQOSA-N 2 0 359.478 0.469 20 0 FCADRP O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571012337 951260803 /nfs/dbraw/zinc/26/08/03/951260803.db2.gz ZXGHIUPEFYDHKG-QLPKVWCKSA-N 2 0 364.413 0.379 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099022 951827456 /nfs/dbraw/zinc/82/74/56/951827456.db2.gz HEDLJSUBOADZRL-NWDGAFQWSA-N 2 0 363.491 0.722 20 0 FCADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098974 951828136 /nfs/dbraw/zinc/82/81/36/951828136.db2.gz GNAPCIUATWNGNK-NSHDSACASA-N 2 0 351.480 0.722 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099814 951839452 /nfs/dbraw/zinc/83/94/52/951839452.db2.gz OXBMAAIJWJXPQV-WCQYABFASA-N 2 0 363.491 0.864 20 0 FCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106098 951900408 /nfs/dbraw/zinc/90/04/08/951900408.db2.gz PYEVIFXEAYIYGA-AWEZNQCLSA-N 2 0 357.462 0.804 20 0 FCADRP Cc1cc(N[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077697 952122426 /nfs/dbraw/zinc/12/24/26/952122426.db2.gz FNIVWPMAASULIZ-WBMJQRKESA-N 2 0 370.461 0.347 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143834 952157718 /nfs/dbraw/zinc/15/77/18/952157718.db2.gz CWJBEUOWQMSHTK-CZUORRHYSA-N 2 0 372.477 0.815 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575145025 952177285 /nfs/dbraw/zinc/17/72/85/952177285.db2.gz OFQNEYYNELNNLK-SWLSCSKDSA-N 2 0 370.461 0.284 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCC[NH+](C)C ZINC001575146632 952195701 /nfs/dbraw/zinc/19/57/01/952195701.db2.gz MNVBMJZYLQMCOV-CYBMUJFWSA-N 2 0 360.466 0.674 20 0 FCADRP CC[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571103000 952351580 /nfs/dbraw/zinc/35/15/80/952351580.db2.gz HCABAGBTRQGLJB-INIZCTEOSA-N 2 0 372.477 0.674 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105218 952390726 /nfs/dbraw/zinc/39/07/26/952390726.db2.gz KEABLVIRZITION-CZUORRHYSA-N 2 0 373.436 0.791 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571105294 952393294 /nfs/dbraw/zinc/39/32/94/952393294.db2.gz MQPRWESWYBGUEV-ZIAGYGMSSA-N 2 0 373.436 0.648 20 0 FCADRP C[C@@H](O)C[N@H+](CCO)Cc1cc(Cl)cc(C[NH+](CCO)C[C@H](C)O)c1 ZINC000295272022 214287233 /nfs/dbraw/zinc/28/72/33/214287233.db2.gz ZHEBSXJRHFVXDC-GASCZTMLSA-N 2 0 374.909 0.690 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000299432555 214705452 /nfs/dbraw/zinc/70/54/52/214705452.db2.gz PXAVEZSOCOZFHP-UHFFFAOYSA-N 2 0 362.478 0.228 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923272 529801129 /nfs/dbraw/zinc/80/11/29/529801129.db2.gz BKCCZNFGPVMMOX-YLJYHZDGSA-N 2 0 362.518 0.731 20 0 FCADRP COc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000265639811 210184751 /nfs/dbraw/zinc/18/47/51/210184751.db2.gz LOWXPQIPGPQUIW-UHFFFAOYSA-N 2 0 356.430 0.822 20 0 FCADRP CNC(=O)N1CC[NH+](CCC(C)CC[NH+]2CCN(C(=O)NC)CC2)CC1 ZINC000411394972 529878495 /nfs/dbraw/zinc/87/84/95/529878495.db2.gz ZENGFCFGRFJUDA-UHFFFAOYSA-N 2 0 368.526 0.317 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719229 530064761 /nfs/dbraw/zinc/06/47/61/530064761.db2.gz NPMHWBUTSIHGQI-PXNSSMCTSA-N 2 0 362.518 0.875 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CC[C@H]21 ZINC000410720136 530058287 /nfs/dbraw/zinc/05/82/87/530058287.db2.gz QITMTGRJBMZODC-RCCFBDPRSA-N 2 0 362.518 0.873 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482551 215003475 /nfs/dbraw/zinc/00/34/75/215003475.db2.gz BAJVAFQRKZRTRJ-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482549 215003971 /nfs/dbraw/zinc/00/39/71/215003971.db2.gz BAJVAFQRKZRTRJ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507346 215007283 /nfs/dbraw/zinc/00/72/83/215007283.db2.gz UAWCBCOFUONYRS-HOCLYGCPSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000331566860 215015549 /nfs/dbraw/zinc/01/55/49/215015549.db2.gz LAGHIUMBAFRHFW-IKGGRYGDSA-N 2 0 350.507 0.777 20 0 FCADRP CC1(C)CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000331573137 215016543 /nfs/dbraw/zinc/01/65/43/215016543.db2.gz VTRXHLFENYESFF-UHFFFAOYSA-N 2 0 366.506 0.158 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000331620149 215023531 /nfs/dbraw/zinc/02/35/31/215023531.db2.gz FFAFUEIXICXYAN-GVDBMIGSSA-N 2 0 350.507 0.953 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000331620168 215023864 /nfs/dbraw/zinc/02/38/64/215023864.db2.gz FFAFUEIXICXYAN-YESZJQIVSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C[C@@H]1[NH3+] ZINC000331776553 215046161 /nfs/dbraw/zinc/04/61/61/215046161.db2.gz JSYHUXABEQVAHF-TWMKSMIVSA-N 2 0 350.507 0.905 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)CC1 ZINC000331794189 215047617 /nfs/dbraw/zinc/04/76/17/215047617.db2.gz OQJLLTBGBJYGDI-IRXDYDNUSA-N 2 0 350.507 0.764 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000331852799 215056577 /nfs/dbraw/zinc/05/65/77/215056577.db2.gz WQKJZMOQEYEOIJ-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000331900597 215064590 /nfs/dbraw/zinc/06/45/90/215064590.db2.gz VZDRMMQDSBOQBA-CGZBRXJRSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331910118 215066368 /nfs/dbraw/zinc/06/63/68/215066368.db2.gz HXZISMPDDOORCO-BBWFWOEESA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000331909571 215066680 /nfs/dbraw/zinc/06/66/80/215066680.db2.gz AOEPHVUORYGHEJ-WBVHZDCISA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000332076281 215087638 /nfs/dbraw/zinc/08/76/38/215087638.db2.gz ZEUDVFAAYIOJFV-RDJZCZTQSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000264991061 210033489 /nfs/dbraw/zinc/03/34/89/210033489.db2.gz BPMVBDQEZSDYSI-ROUUACIJSA-N 2 0 358.486 0.787 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[NH2+]1 ZINC000332078971 215088889 /nfs/dbraw/zinc/08/88/89/215088889.db2.gz HUUFSOQWGQMUDH-CVEARBPZSA-N 2 0 366.506 0.081 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000332134075 215099182 /nfs/dbraw/zinc/09/91/82/215099182.db2.gz ITLQRZOZVXLFNJ-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000332134077 215099743 /nfs/dbraw/zinc/09/97/43/215099743.db2.gz ITLQRZOZVXLFNJ-GVDBMIGSSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000332246271 215115995 /nfs/dbraw/zinc/11/59/95/215115995.db2.gz AYCHSUYXBXXCBZ-WBVHZDCISA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000332509538 215163524 /nfs/dbraw/zinc/16/35/24/215163524.db2.gz JEYGGNBZKFVLRZ-KRWDZBQOSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000286623086 213516712 /nfs/dbraw/zinc/51/67/12/213516712.db2.gz ZAASCSLYHDZCFH-HNNXBMFYSA-N 2 0 364.490 0.700 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333298078 215259409 /nfs/dbraw/zinc/25/94/09/215259409.db2.gz KANAQZPUBDYWJV-GDBMZVCRSA-N 2 0 359.478 0.977 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](CCN3CCCS3(=O)=O)CC2)C[C@@H](C)O1 ZINC000333295065 215260704 /nfs/dbraw/zinc/26/07/04/215260704.db2.gz AYIOLSOLURZYHG-HZPDHXFCSA-N 2 0 359.536 0.843 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@H]21 ZINC000333473146 215285519 /nfs/dbraw/zinc/28/55/19/215285519.db2.gz BBWWNIXMAOZJCY-SYQHCUMBSA-N 2 0 363.428 0.591 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333594564 215299507 /nfs/dbraw/zinc/29/95/07/215299507.db2.gz VQGIWXFKFAHIHB-JZXOWHBKSA-N 2 0 368.522 0.896 20 0 FCADRP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333621565 215301894 /nfs/dbraw/zinc/30/18/94/215301894.db2.gz UJRVFHCHUASGNW-UHFFFAOYSA-N 2 0 372.473 0.988 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000333664307 215305720 /nfs/dbraw/zinc/30/57/20/215305720.db2.gz BMTINEUZPAHQIN-YLFCFFPRSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000333717713 215312398 /nfs/dbraw/zinc/31/23/98/215312398.db2.gz GEMBWADOTNLXGK-RDJZCZTQSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851112 215323865 /nfs/dbraw/zinc/32/38/65/215323865.db2.gz QAXZMHOTJSJXHK-VUNQQRPYSA-N 2 0 363.506 0.511 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333902305 215329963 /nfs/dbraw/zinc/32/99/63/215329963.db2.gz ZLRGVJDBQNUDLM-GOEBONIOSA-N 2 0 351.495 0.513 20 0 FCADRP Cc1nccn1CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773224 213393466 /nfs/dbraw/zinc/39/34/66/213393466.db2.gz FDLBMYYIZQEUJL-WBVHZDCISA-N 2 0 359.474 0.783 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000360977256 215377379 /nfs/dbraw/zinc/37/73/79/215377379.db2.gz NCAPVXXAKXHXMZ-KZNAEPCWSA-N 2 0 368.522 0.584 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccco1 ZINC000284852170 213234788 /nfs/dbraw/zinc/23/47/88/213234788.db2.gz FBRFIUONQIPLSL-HNNXBMFYSA-N 2 0 350.463 0.989 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC2CC[NH+](C)CC2)o1 ZINC000284779474 213217628 /nfs/dbraw/zinc/21/76/28/213217628.db2.gz JSEUMJHZTLCEDP-UHFFFAOYSA-N 2 0 350.463 0.689 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000284749263 213211661 /nfs/dbraw/zinc/21/16/61/213211661.db2.gz CHKILXSCEUIODS-OAHLLOKOSA-N 2 0 373.501 0.761 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000262662835 209636665 /nfs/dbraw/zinc/63/66/65/209636665.db2.gz HICLVFLVVXQPIB-UHFFFAOYSA-N 2 0 366.510 0.941 20 0 FCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nccn2C)C[C@@H](C)O1 ZINC000284204744 213096476 /nfs/dbraw/zinc/09/64/76/213096476.db2.gz ZKNBVCWXQRSCKK-CHWSQXEVSA-N 2 0 351.451 0.040 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000284050280 213063039 /nfs/dbraw/zinc/06/30/39/213063039.db2.gz KFFSROSDLYCUJN-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368037992 216195369 /nfs/dbraw/zinc/19/53/69/216195369.db2.gz BLZJXPTYMMAHSK-CQSZACIVSA-N 2 0 358.446 0.904 20 0 FCADRP C[C@@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237354609 209350479 /nfs/dbraw/zinc/35/04/79/209350479.db2.gz CBVVEBGBIUCSMW-LSDHHAIUSA-N 2 0 364.494 0.525 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3([NH3+])CCCC3)c2)CC1 ZINC000237227186 209349068 /nfs/dbraw/zinc/34/90/68/209349068.db2.gz AMYCJKDFTLXQQQ-UHFFFAOYSA-N 2 0 366.487 0.833 20 0 FCADRP CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000237227693 209349085 /nfs/dbraw/zinc/34/90/85/209349085.db2.gz SMTIYJTZGZZCPT-INIZCTEOSA-N 2 0 366.487 0.703 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000236831911 209344833 /nfs/dbraw/zinc/34/48/33/209344833.db2.gz IHTNYLZSMHWOSA-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368575582 216265755 /nfs/dbraw/zinc/26/57/55/216265755.db2.gz IWUYONXUNBYQQN-SQNIBIBYSA-N 2 0 350.507 0.260 20 0 FCADRP COC(=O)[C@@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000191295540 209284019 /nfs/dbraw/zinc/28/40/19/209284019.db2.gz MPEOXIDDAKGHMT-GOEBONIOSA-N 2 0 354.495 0.853 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050423 216340285 /nfs/dbraw/zinc/34/02/85/216340285.db2.gz GZXBNKGZYAPORT-IAGOWNOFSA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H](O)C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H](C)CO ZINC000190925266 209279850 /nfs/dbraw/zinc/27/98/50/209279850.db2.gz ZHODRYDSTRGLMB-JKSUJKDBSA-N 2 0 350.463 0.184 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000369333352 216384875 /nfs/dbraw/zinc/38/48/75/216384875.db2.gz BMHXCJKPBYHPPG-IEBWSBKVSA-N 2 0 357.539 0.889 20 0 FCADRP CN1CCN(S(=O)(=O)N2CCN(C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000190377476 209270515 /nfs/dbraw/zinc/27/05/15/209270515.db2.gz DSWFCIYXMPRWSX-KRWDZBQOSA-N 2 0 374.551 0.037 20 0 FCADRP CNS(=O)(=O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000190301106 209270303 /nfs/dbraw/zinc/27/03/03/209270303.db2.gz AOUSELVITZSFCW-UHFFFAOYSA-N 2 0 354.520 0.856 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188799421 209238342 /nfs/dbraw/zinc/23/83/42/209238342.db2.gz PEZUYNVBYUFBSO-WMLDXEAASA-N 2 0 350.438 0.951 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000187951420 209220903 /nfs/dbraw/zinc/22/09/03/209220903.db2.gz JMIMOEPBDSZEFY-ZNMIVQPWSA-N 2 0 353.488 0.957 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 ZINC000186289021 209188846 /nfs/dbraw/zinc/18/88/46/209188846.db2.gz NSNATUHPZISRRB-UHFFFAOYSA-N 2 0 362.474 0.603 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000186130545 209184916 /nfs/dbraw/zinc/18/49/16/209184916.db2.gz WUAIUUMSGVCELA-KRWDZBQOSA-N 2 0 367.538 0.519 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2c(c1)nnn2C ZINC000185734276 209182211 /nfs/dbraw/zinc/18/22/11/209182211.db2.gz FUFRZXLEEPICSZ-HNNXBMFYSA-N 2 0 359.478 0.851 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931435155 674114939 /nfs/dbraw/zinc/11/49/39/674114939.db2.gz HSRZTDVLZFAROW-OWCLPIDISA-N 2 0 352.479 0.559 20 0 FCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ncn(C)n1 ZINC000275657756 212068434 /nfs/dbraw/zinc/06/84/34/212068434.db2.gz LHOMPHFUHHPRLL-OAHLLOKOSA-N 2 0 372.477 0.783 20 0 FCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ncn(C)n1 ZINC000275657754 212068557 /nfs/dbraw/zinc/06/85/57/212068557.db2.gz LHOMPHFUHHPRLL-HNNXBMFYSA-N 2 0 372.477 0.783 20 0 FCADRP C[C@H]1C[C@H](C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742663 245318894 /nfs/dbraw/zinc/31/88/94/245318894.db2.gz NSVXPKYKYNSGKZ-DLBZAZTESA-N 2 0 360.506 0.823 20 0 FCADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000415036478 245340667 /nfs/dbraw/zinc/34/06/67/245340667.db2.gz LIQOUWPZQJMYAL-GDBMZVCRSA-N 2 0 353.488 0.925 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000415273186 245373962 /nfs/dbraw/zinc/37/39/62/245373962.db2.gz VSBIFIIYPQILFD-UHFFFAOYSA-N 2 0 373.501 0.944 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442700 217019204 /nfs/dbraw/zinc/01/92/04/217019204.db2.gz VZLWIJIIRXTAKF-ZSZQSSIHSA-N 2 0 352.523 0.804 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000415331108 245390861 /nfs/dbraw/zinc/39/08/61/245390861.db2.gz ZXDOYXWHHAVHDN-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000415413576 245407121 /nfs/dbraw/zinc/40/71/21/245407121.db2.gz IQSOTPQQUITPCM-ZDUSSCGKSA-N 2 0 350.463 0.846 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415754432 245487170 /nfs/dbraw/zinc/48/71/70/245487170.db2.gz ZMEXNBWTCFFLHN-HUUCEWRRSA-N 2 0 360.458 0.633 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000376081656 217354628 /nfs/dbraw/zinc/35/46/28/217354628.db2.gz MRWYEKFHOHJQES-INIZCTEOSA-N 2 0 356.511 0.849 20 0 FCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418306083 245775691 /nfs/dbraw/zinc/77/56/91/245775691.db2.gz QGTCYMUDZLDNPZ-MSOLQXFVSA-N 2 0 361.490 0.345 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418778395 245826000 /nfs/dbraw/zinc/82/60/00/245826000.db2.gz ISCXKXRZSMVLRN-UHFFFAOYSA-N 2 0 361.490 0.041 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050698 245959126 /nfs/dbraw/zinc/95/91/26/245959126.db2.gz YUYCRGTWOQHONG-BGTYHANMSA-N 2 0 356.470 0.758 20 0 FCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419126194 246001521 /nfs/dbraw/zinc/00/15/21/246001521.db2.gz VSFSVKNJUFOJKR-KFWWJZLASA-N 2 0 354.495 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2nccn2CCc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419156274 246021204 /nfs/dbraw/zinc/02/12/04/246021204.db2.gz SVVNKAGUIIEKAS-HZPDHXFCSA-N 2 0 369.469 0.951 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419158813 246024297 /nfs/dbraw/zinc/02/42/97/246024297.db2.gz YIZOERTWGDQOKX-ZIAGYGMSSA-N 2 0 352.504 0.930 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132505 246006987 /nfs/dbraw/zinc/00/69/87/246006987.db2.gz BOGXWHZZSLRYMF-WBVHZDCISA-N 2 0 362.474 0.247 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000419132933 246007385 /nfs/dbraw/zinc/00/73/85/246007385.db2.gz FJVCROVZKTYXOB-KRWDZBQOSA-N 2 0 368.522 0.437 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000419135492 246009244 /nfs/dbraw/zinc/00/92/44/246009244.db2.gz MXEZVZPCEQKABZ-JONQDZQNSA-N 2 0 352.523 0.973 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C(C)(C)C ZINC000419135497 246009304 /nfs/dbraw/zinc/00/93/04/246009304.db2.gz MXWLXJPRBMDXGL-MRXNPFEDSA-N 2 0 370.538 0.825 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136473 246010432 /nfs/dbraw/zinc/01/04/32/246010432.db2.gz PENJOZWZCMELJB-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000419136810 246011388 /nfs/dbraw/zinc/01/13/88/246011388.db2.gz PSNFJTIDLCAIPF-RRFJBIMHSA-N 2 0 356.511 0.434 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144908 246013096 /nfs/dbraw/zinc/01/30/96/246013096.db2.gz GZUPEWFPOSLERJ-GJZGRUSLSA-N 2 0 364.515 0.897 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419142593 246014110 /nfs/dbraw/zinc/01/41/10/246014110.db2.gz CJAGSLIASCLPTQ-QZTJIDSGSA-N 2 0 374.485 0.434 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000419146245 246014733 /nfs/dbraw/zinc/01/47/33/246014733.db2.gz ICIVWGVXWPOFHZ-IJEWVQPXSA-N 2 0 364.515 0.882 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419145786 246015711 /nfs/dbraw/zinc/01/57/11/246015711.db2.gz HUBPJDUSHHHXOM-LSDHHAIUSA-N 2 0 362.474 0.439 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000419164620 246028496 /nfs/dbraw/zinc/02/84/96/246028496.db2.gz AECWBEQZDVGNFU-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171373 246031962 /nfs/dbraw/zinc/03/19/62/246031962.db2.gz XNYPSIVZNBFEDF-QZTJIDSGSA-N 2 0 374.485 0.247 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170850 246032277 /nfs/dbraw/zinc/03/22/77/246032277.db2.gz OBHVGHOQWOHZOD-WMZOPIPTSA-N 2 0 358.486 0.521 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170848 246033693 /nfs/dbraw/zinc/03/36/93/246033693.db2.gz OBHVGHOQWOHZOD-FUHWJXTLSA-N 2 0 358.486 0.521 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419180459 246038912 /nfs/dbraw/zinc/03/89/12/246038912.db2.gz JWTJSKXDIJZBDE-INIZCTEOSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000419187715 246040715 /nfs/dbraw/zinc/04/07/15/246040715.db2.gz FVSTYNBXBFGMNN-NXHRZFHOSA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419185223 246041960 /nfs/dbraw/zinc/04/19/60/246041960.db2.gz OMWJAPRAEPEUDP-IRXDYDNUSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000419186936 246042286 /nfs/dbraw/zinc/04/22/86/246042286.db2.gz FLFHWUXTGRZAOR-NXHRZFHOSA-N 2 0 358.486 0.691 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419188383 246043551 /nfs/dbraw/zinc/04/35/51/246043551.db2.gz SNTOXTHQGNMAHT-JKSUJKDBSA-N 2 0 352.479 0.004 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419188380 246043561 /nfs/dbraw/zinc/04/35/61/246043561.db2.gz SNTOXTHQGNMAHT-CVEARBPZSA-N 2 0 352.479 0.004 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000419193401 246045472 /nfs/dbraw/zinc/04/54/72/246045472.db2.gz QTUINIDCKJLINL-UHFFFAOYSA-N 2 0 358.486 0.898 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419215005 246059067 /nfs/dbraw/zinc/05/90/67/246059067.db2.gz NQICFDNKDCQSCI-QGZVFWFLSA-N 2 0 362.474 0.248 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419213603 246059858 /nfs/dbraw/zinc/05/98/58/246059858.db2.gz LQLHUOGNLBZGHE-HDICACEKSA-N 2 0 358.486 0.821 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000419216206 246060189 /nfs/dbraw/zinc/06/01/89/246060189.db2.gz ZUILCZXEGXMBCI-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000419220644 246061226 /nfs/dbraw/zinc/06/12/26/246061226.db2.gz VEJHMRZHVUXSIB-RHSMWYFYSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221878 246061722 /nfs/dbraw/zinc/06/17/22/246061722.db2.gz AWMUEZXXZWEKRR-YSHGAJCASA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419223123 246061971 /nfs/dbraw/zinc/06/19/71/246061971.db2.gz CLCSPKCWMINDTM-PVAVHDDUSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@H]1C[NH3+] ZINC000419224073 246063739 /nfs/dbraw/zinc/06/37/39/246063739.db2.gz FCMSWKJFXIIDPA-OIISXLGYSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225457 246064950 /nfs/dbraw/zinc/06/49/50/246064950.db2.gz HBQNBHJRRBVQDW-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000419272402 246083077 /nfs/dbraw/zinc/08/30/77/246083077.db2.gz VDJBCUCQKODCOR-HDICACEKSA-N 2 0 358.486 0.822 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419274892 246085727 /nfs/dbraw/zinc/08/57/27/246085727.db2.gz YIRAGXVSXYODSO-RBUKOAKNSA-N 2 0 370.497 0.967 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419228597 246069336 /nfs/dbraw/zinc/06/93/36/246069336.db2.gz MLVAIFVONPNJSL-JFIYKMOQSA-N 2 0 358.486 0.834 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317674 246098689 /nfs/dbraw/zinc/09/86/89/246098689.db2.gz MZYNYDQBUPMOAC-HUHSQHJXSA-N 2 0 356.470 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H](C)C[NH2+]1 ZINC000419344879 246106436 /nfs/dbraw/zinc/10/64/36/246106436.db2.gz SMNCOYSZFIRNAY-HUUCEWRRSA-N 2 0 359.474 0.371 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000419303706 246091248 /nfs/dbraw/zinc/09/12/48/246091248.db2.gz IKHCTRWFIQAJNX-OAHLLOKOSA-N 2 0 359.474 0.899 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369452 246119497 /nfs/dbraw/zinc/11/94/97/246119497.db2.gz HTQYHXAFNIRJAZ-ZWKOTPCHSA-N 2 0 360.502 0.876 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419373732 246122441 /nfs/dbraw/zinc/12/24/41/246122441.db2.gz MXVNARRPZRXOMT-CRAIPNDOSA-N 2 0 372.513 0.706 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000419371435 246123279 /nfs/dbraw/zinc/12/32/79/246123279.db2.gz KSWHSRMNNDFRRV-KZNAEPCWSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000419380006 246124533 /nfs/dbraw/zinc/12/45/33/246124533.db2.gz WSJCOCIASLAIIF-GASCZTMLSA-N 2 0 358.486 0.411 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381545 246124656 /nfs/dbraw/zinc/12/46/56/246124656.db2.gz YIUKBCPZELHTEA-DLBZAZTESA-N 2 0 358.486 0.588 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419378510 246125081 /nfs/dbraw/zinc/12/50/81/246125081.db2.gz VSBVGKUGEXSNIJ-DLBZAZTESA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)Cc2ccccc2C1 ZINC000419375758 246125185 /nfs/dbraw/zinc/12/51/85/246125185.db2.gz QUYNRUOEXVPWLC-UHFFFAOYSA-N 2 0 358.486 0.412 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419387206 246127627 /nfs/dbraw/zinc/12/76/27/246127627.db2.gz CKVBZQLASFTJNJ-HOCLYGCPSA-N 2 0 364.515 0.431 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419351586 246115211 /nfs/dbraw/zinc/11/52/11/246115211.db2.gz HQPHBZWNMUOGPO-JKSUJKDBSA-N 2 0 354.495 0.062 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000419412157 246146323 /nfs/dbraw/zinc/14/63/23/246146323.db2.gz QSVXKYDLVJIPJL-DAXOMENPSA-N 2 0 350.438 0.740 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419414466 246147359 /nfs/dbraw/zinc/14/73/59/246147359.db2.gz DWPRSOLQECZCQV-IYBDPMFKSA-N 2 0 352.523 0.929 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419412430 246147447 /nfs/dbraw/zinc/14/74/47/246147447.db2.gz REFFMTONEOAEOV-ZWKOTPCHSA-N 2 0 358.486 0.793 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000419412614 246147605 /nfs/dbraw/zinc/14/76/05/246147605.db2.gz RBBZYNOUMGTNBY-CVEARBPZSA-N 2 0 350.438 0.884 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401999 246136319 /nfs/dbraw/zinc/13/63/19/246136319.db2.gz PRBCWOYFWMIEMG-YSHGAJCASA-N 2 0 370.497 0.834 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402357 246138262 /nfs/dbraw/zinc/13/82/62/246138262.db2.gz CHTYJBZIGGTYLC-GDBMZVCRSA-N 2 0 368.522 0.986 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000419406603 246139371 /nfs/dbraw/zinc/13/93/71/246139371.db2.gz JFNINMRVAVWEHA-MAUKXSAKSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000419407173 246139975 /nfs/dbraw/zinc/13/99/75/246139975.db2.gz JUCJBBDGOIOEAC-JGGQBBKZSA-N 2 0 350.438 0.740 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422160 246153922 /nfs/dbraw/zinc/15/39/22/246153922.db2.gz QEFWFZASGUPRSN-QGZVFWFLSA-N 2 0 373.501 0.135 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000419422083 246154449 /nfs/dbraw/zinc/15/44/49/246154449.db2.gz PULAYAMSUAXDGF-UHFFFAOYSA-N 2 0 373.501 0.313 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419431258 246158908 /nfs/dbraw/zinc/15/89/08/246158908.db2.gz XAHWIDGLNAJDRY-UHFFFAOYSA-N 2 0 360.502 0.994 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000419428132 246159683 /nfs/dbraw/zinc/15/96/83/246159683.db2.gz SRKONXIKSZVIGI-DLBZAZTESA-N 2 0 360.458 0.126 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419419427 246151924 /nfs/dbraw/zinc/15/19/24/246151924.db2.gz ZHJWQZWEEQRNDJ-ROUUACIJSA-N 2 0 358.486 0.808 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525138 246193223 /nfs/dbraw/zinc/19/32/23/246193223.db2.gz CXAWWCJVXFHVJJ-QAPCUYQASA-N 2 0 358.486 0.834 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419503268 246182379 /nfs/dbraw/zinc/18/23/79/246182379.db2.gz CWRBGFVUDHCSGZ-NQIIRXRSSA-N 2 0 370.497 0.837 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419505005 246183530 /nfs/dbraw/zinc/18/35/30/246183530.db2.gz IGSLMEPPROMQMP-AWEZNQCLSA-N 2 0 354.401 0.335 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419509084 246185271 /nfs/dbraw/zinc/18/52/71/246185271.db2.gz SMGGYJDBJDFSIC-ZWKOTPCHSA-N 2 0 358.486 0.883 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528322 246191462 /nfs/dbraw/zinc/19/14/62/246191462.db2.gz CAMNZOGAIXQJNE-IRXDYDNUSA-N 2 0 362.474 0.290 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000419473699 246177149 /nfs/dbraw/zinc/17/71/49/246177149.db2.gz BAXOIKSVPJEPDJ-LJQANCHMSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483584 246179463 /nfs/dbraw/zinc/17/94/63/246179463.db2.gz RZVHXNZBCCMZLD-JKSUJKDBSA-N 2 0 368.522 0.844 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533365 246194491 /nfs/dbraw/zinc/19/44/91/246194491.db2.gz OUDJNMKKGPDAPY-JQHSSLGASA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000419663208 246236067 /nfs/dbraw/zinc/23/60/67/246236067.db2.gz PVHMXUGOAQAMMU-KANFNMMFSA-N 2 0 370.497 0.834 20 0 FCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419636168 246227048 /nfs/dbraw/zinc/22/70/48/246227048.db2.gz GXDNNWYBDDSLMT-INIZCTEOSA-N 2 0 350.507 0.871 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCCC1 ZINC000419670948 246238616 /nfs/dbraw/zinc/23/86/16/246238616.db2.gz XPXMJVFIHMAEIL-OWCLPIDISA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCC1 ZINC000419670945 246240205 /nfs/dbraw/zinc/24/02/05/246240205.db2.gz XPXMJVFIHMAEIL-ARFHVFGLSA-N 2 0 350.507 0.729 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000419672469 246241875 /nfs/dbraw/zinc/24/18/75/246241875.db2.gz IDQBBMWPDGZKFA-MRXNPFEDSA-N 2 0 366.506 0.335 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419678451 246244393 /nfs/dbraw/zinc/24/43/93/246244393.db2.gz DURYCZGMALMJTH-CQSZACIVSA-N 2 0 354.520 0.271 20 0 FCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000419753851 246283999 /nfs/dbraw/zinc/28/39/99/246283999.db2.gz DSCPEOFOGIRZBP-UHFFFAOYSA-N 2 0 368.522 0.236 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419757856 246285688 /nfs/dbraw/zinc/28/56/88/246285688.db2.gz JCKOOYAOCHRMLK-CQSZACIVSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000419758260 246287232 /nfs/dbraw/zinc/28/72/32/246287232.db2.gz JTDAMSFEGNFSMM-CZUORRHYSA-N 2 0 350.438 0.569 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419763540 246289268 /nfs/dbraw/zinc/28/92/68/246289268.db2.gz UOXFIJZMQUPTDE-CQSZACIVSA-N 2 0 350.438 0.490 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000419766913 246292160 /nfs/dbraw/zinc/29/21/60/246292160.db2.gz ZMEVKWAAOBOXNC-ZBFHGGJFSA-N 2 0 364.465 0.817 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000419777068 246293845 /nfs/dbraw/zinc/29/38/45/246293845.db2.gz MSWRHYCACKJCPT-RBUKOAKNSA-N 2 0 370.497 0.930 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419779717 246295103 /nfs/dbraw/zinc/29/51/03/246295103.db2.gz PQMOOVCXRNAJID-MRXNPFEDSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000419795935 246297579 /nfs/dbraw/zinc/29/75/79/246297579.db2.gz MDWUVHYHYSJQRE-WNRNVDISSA-N 2 0 358.486 0.991 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419808067 246303852 /nfs/dbraw/zinc/30/38/52/246303852.db2.gz GMRKNWVLLHCRLP-RHSMWYFYSA-N 2 0 362.474 0.802 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814844 246305325 /nfs/dbraw/zinc/30/53/25/246305325.db2.gz KKKSITJCGMEEOA-DOTOQJQBSA-N 2 0 360.458 0.508 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CCCC2)CC1 ZINC000419745938 246280314 /nfs/dbraw/zinc/28/03/14/246280314.db2.gz BERFYIIQUVOXFV-AWEZNQCLSA-N 2 0 354.495 0.380 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000419824084 246307057 /nfs/dbraw/zinc/30/70/57/246307057.db2.gz YRGWHMGSGFUTKS-ZACQAIPSSA-N 2 0 362.474 0.370 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000419824081 246308251 /nfs/dbraw/zinc/30/82/51/246308251.db2.gz YRGWHMGSGFUTKS-BBWFWOEESA-N 2 0 362.474 0.370 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000419829775 246309966 /nfs/dbraw/zinc/30/99/66/246309966.db2.gz VJNIQOMRQJLVJS-QGZVFWFLSA-N 2 0 362.474 0.803 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419835893 246311697 /nfs/dbraw/zinc/31/16/97/246311697.db2.gz VHJKTQLUHNHBGM-HNNXBMFYSA-N 2 0 355.527 0.010 20 0 FCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419834535 246312143 /nfs/dbraw/zinc/31/21/43/246312143.db2.gz SPRJOPFVERVSCV-HZPDHXFCSA-N 2 0 368.522 0.579 20 0 FCADRP CCN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419837752 246313179 /nfs/dbraw/zinc/31/31/79/246313179.db2.gz DMQJVHGSJVPLQX-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000419841262 246313972 /nfs/dbraw/zinc/31/39/72/246313972.db2.gz ZXOFMBNRJMESRB-INIZCTEOSA-N 2 0 350.507 0.827 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419844414 246318166 /nfs/dbraw/zinc/31/81/66/246318166.db2.gz OFTUZXGSZGVDST-SFHVURJKSA-N 2 0 360.502 0.878 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419847643 246320197 /nfs/dbraw/zinc/32/01/97/246320197.db2.gz UBANJZLOHUDEKF-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419847633 246320506 /nfs/dbraw/zinc/32/05/06/246320506.db2.gz TYDYEKGIKWKDPA-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP CN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419850719 246321815 /nfs/dbraw/zinc/32/18/15/246321815.db2.gz MJANIJBGIHIUMV-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419852988 246324697 /nfs/dbraw/zinc/32/46/97/246324697.db2.gz AJIDHLOXVHGNCD-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862630 246333246 /nfs/dbraw/zinc/33/32/46/246333246.db2.gz MYQSQFNRTPQFBB-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC2CCC([NH3+])CC2)o1 ZINC000419866805 246334600 /nfs/dbraw/zinc/33/46/00/246334600.db2.gz HKZFTRJELHVEJV-UHFFFAOYSA-N 2 0 350.463 0.864 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419926643 246372222 /nfs/dbraw/zinc/37/22/22/246372222.db2.gz BLTIZDQNKYTQQJ-RYQLBKOJSA-N 2 0 358.486 0.549 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000419931385 246376187 /nfs/dbraw/zinc/37/61/87/246376187.db2.gz PDMWYCDNHNJNPV-SJLPKXTDSA-N 2 0 374.485 0.373 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419874966 246342476 /nfs/dbraw/zinc/34/24/76/246342476.db2.gz OAEGYMQVPBSSOP-HXUWFJFHSA-N 2 0 358.486 0.837 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419876853 246344795 /nfs/dbraw/zinc/34/47/95/246344795.db2.gz FJVSBPVYRDUSAN-OAHLLOKOSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419885411 246350011 /nfs/dbraw/zinc/35/00/11/246350011.db2.gz BDWOZJIOBMKPAN-INIZCTEOSA-N 2 0 350.438 0.584 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000419883635 246350860 /nfs/dbraw/zinc/35/08/60/246350860.db2.gz WJSABWKNFDMVBU-DLBZAZTESA-N 2 0 362.474 0.277 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419892118 246353738 /nfs/dbraw/zinc/35/37/38/246353738.db2.gz NWMDINNXLZRMQL-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896926 246357716 /nfs/dbraw/zinc/35/77/16/246357716.db2.gz YIBDJOGMGYHAOW-ROUUACIJSA-N 2 0 358.486 0.835 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000419898970 246357746 /nfs/dbraw/zinc/35/77/46/246357746.db2.gz PZSPFVFEUGGUPR-UHFFFAOYSA-N 2 0 374.407 0.931 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419907416 246361696 /nfs/dbraw/zinc/36/16/96/246361696.db2.gz FRUOOSLNYWDAGH-IRXDYDNUSA-N 2 0 367.538 0.119 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419945034 246381057 /nfs/dbraw/zinc/38/10/57/246381057.db2.gz BWPMGHCGVNXXCN-NVXWUHKLSA-N 2 0 361.490 0.606 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419958314 246389269 /nfs/dbraw/zinc/38/92/69/246389269.db2.gz QDZPXPPYMPSXJL-SOUVJXGZSA-N 2 0 354.495 0.045 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000419965174 246390194 /nfs/dbraw/zinc/39/01/94/246390194.db2.gz GRLQTUPIKJGQJV-AWEZNQCLSA-N 2 0 352.454 0.688 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@@H](C)O1 ZINC000419971428 246396454 /nfs/dbraw/zinc/39/64/54/246396454.db2.gz WRLPCUUVIFZCKU-INMHGKMJSA-N 2 0 368.522 0.626 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419973613 246397490 /nfs/dbraw/zinc/39/74/90/246397490.db2.gz GRDOJKPCQSAJID-CVEARBPZSA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419977732 246399626 /nfs/dbraw/zinc/39/96/26/246399626.db2.gz NBBFURJOSDDVFI-LSDHHAIUSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420080860 246456549 /nfs/dbraw/zinc/45/65/49/246456549.db2.gz HFSMIERICLNAEY-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000420135780 246488268 /nfs/dbraw/zinc/48/82/68/246488268.db2.gz VRCNJFPDWSQKGX-HRCADAONSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC[C@H]1[NH3+] ZINC000423361479 247010770 /nfs/dbraw/zinc/01/07/70/247010770.db2.gz GYENPINVYJZSEK-DZGCQCFKSA-N 2 0 352.504 0.834 20 0 FCADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CC[NH2+]CC1 ZINC000423380589 247014753 /nfs/dbraw/zinc/01/47/53/247014753.db2.gz HENLRVUVWVQMCY-XGUBFFRZSA-N 2 0 350.429 0.569 20 0 FCADRP CC1(C)CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000423425315 247022837 /nfs/dbraw/zinc/02/28/37/247022837.db2.gz GMNFCKNCVHEEBC-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423240410 246985432 /nfs/dbraw/zinc/98/54/32/246985432.db2.gz TWYKRZGZSVUGAE-YESZJQIVSA-N 2 0 362.449 0.631 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000423314998 247003044 /nfs/dbraw/zinc/00/30/44/247003044.db2.gz XDEGWZZTFMOLPT-MRXNPFEDSA-N 2 0 366.506 0.145 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423531558 247044910 /nfs/dbraw/zinc/04/49/10/247044910.db2.gz YCCQFDRMJPXJKI-DOTOQJQBSA-N 2 0 362.449 0.631 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000423599545 247068737 /nfs/dbraw/zinc/06/87/37/247068737.db2.gz YADHVPFTGBAAGC-FUHWJXTLSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000423442295 247027238 /nfs/dbraw/zinc/02/72/38/247027238.db2.gz BNRXWFYNZKTVOF-KRWDZBQOSA-N 2 0 373.501 0.967 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000423437740 247027837 /nfs/dbraw/zinc/02/78/37/247027837.db2.gz GOCQRHVPZUBWEB-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000423449816 247030224 /nfs/dbraw/zinc/03/02/24/247030224.db2.gz SFEDHYMFXMZUOR-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000423489423 247036195 /nfs/dbraw/zinc/03/61/95/247036195.db2.gz WNENHOAHWLRQTO-JKSUJKDBSA-N 2 0 368.522 0.389 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423653427 247095795 /nfs/dbraw/zinc/09/57/95/247095795.db2.gz ZSLZAOBYFKGWKX-UTKZUKDTSA-N 2 0 370.497 0.931 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000423656143 247096430 /nfs/dbraw/zinc/09/64/30/247096430.db2.gz TZOANKHMQQFESS-VUROTCPHSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656018 247096588 /nfs/dbraw/zinc/09/65/88/247096588.db2.gz TWHIFYRGHJYPRI-LULLPPNCSA-N 2 0 370.497 0.773 20 0 FCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000423656087 247097998 /nfs/dbraw/zinc/09/79/98/247097998.db2.gz TXWAFPSUAMOYHR-WBVHZDCISA-N 2 0 350.507 0.907 20 0 FCADRP COC(=O)CCN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000423858944 247145649 /nfs/dbraw/zinc/14/56/49/247145649.db2.gz FILCLDXVKGMXGI-HNNXBMFYSA-N 2 0 354.495 0.286 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423725778 247127955 /nfs/dbraw/zinc/12/79/55/247127955.db2.gz SVKCDDYXORBNJX-NXHRZFHOSA-N 2 0 358.486 0.773 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000423736675 247131827 /nfs/dbraw/zinc/13/18/27/247131827.db2.gz STPBQBKUQYWYDX-HLLBOEOZSA-N 2 0 357.520 0.344 20 0 FCADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423749490 247136668 /nfs/dbraw/zinc/13/66/68/247136668.db2.gz RUOAGNCVJLDZAX-OAGGEKHMSA-N 2 0 355.479 0.759 20 0 FCADRP CCN1C[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000424017741 247161263 /nfs/dbraw/zinc/16/12/63/247161263.db2.gz HEARSJVHNPPTEW-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424163888 247174093 /nfs/dbraw/zinc/17/40/93/247174093.db2.gz YFUJMSFAAGLZEA-ZIAGYGMSSA-N 2 0 362.478 0.194 20 0 FCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424155228 247174466 /nfs/dbraw/zinc/17/44/66/247174466.db2.gz MOEQBNVXMAMDDI-OAHLLOKOSA-N 2 0 362.478 0.577 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424162536 247174488 /nfs/dbraw/zinc/17/44/88/247174488.db2.gz XCHATEYHVKXWNK-INIZCTEOSA-N 2 0 362.522 0.880 20 0 FCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536867 247254966 /nfs/dbraw/zinc/25/49/66/247254966.db2.gz BRMXRDVJXFICFJ-YDZRNGNQSA-N 2 0 370.497 0.963 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424437058 247215981 /nfs/dbraw/zinc/21/59/81/247215981.db2.gz IOCGXRYLLFPTAK-UHFFFAOYSA-N 2 0 361.490 0.536 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424463372 247226026 /nfs/dbraw/zinc/22/60/26/247226026.db2.gz OFJUUPHSSOKNCT-JKSUJKDBSA-N 2 0 352.483 0.215 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484014 248041299 /nfs/dbraw/zinc/04/12/99/248041299.db2.gz BQRAITRORQXGJR-HNNXBMFYSA-N 2 0 351.499 0.592 20 0 FCADRP C[C@H]1[NH2+]CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000436047723 248029203 /nfs/dbraw/zinc/02/92/03/248029203.db2.gz JBPLKSFRJZQBCW-SJORKVTESA-N 2 0 352.523 0.820 20 0 FCADRP Nc1cc[nH+]cc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000444258614 248353239 /nfs/dbraw/zinc/35/32/39/248353239.db2.gz JKOUIPLIAPKQQG-UHFFFAOYSA-N 2 0 355.446 0.616 20 0 FCADRP [NH3+]Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)co1 ZINC000444257501 248353563 /nfs/dbraw/zinc/35/35/63/248353563.db2.gz DKINCYIEOPNRBL-UHFFFAOYSA-N 2 0 358.446 0.861 20 0 FCADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000444353839 248355710 /nfs/dbraw/zinc/35/57/10/248355710.db2.gz RXYNTKJNVTXUPE-YJBOKZPZSA-N 2 0 353.507 0.933 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780740 249331628 /nfs/dbraw/zinc/33/16/28/249331628.db2.gz HRASZLZJEOYNPO-QGZVFWFLSA-N 2 0 353.507 0.985 20 0 FCADRP COC[C@H](O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270876204 211287731 /nfs/dbraw/zinc/28/77/31/211287731.db2.gz MQCAYMRIWPAQFI-QGZVFWFLSA-N 2 0 365.478 0.290 20 0 FCADRP Cc1cc(C)n2c(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cnc2n1 ZINC000470023245 250021159 /nfs/dbraw/zinc/02/11/59/250021159.db2.gz YHTYYGPCVBCJKN-INIZCTEOSA-N 2 0 356.474 0.990 20 0 FCADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000470473395 250045307 /nfs/dbraw/zinc/04/53/07/250045307.db2.gz AYJJUIAHXOTHEP-UHFFFAOYSA-N 2 0 362.518 0.812 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000471641747 250112381 /nfs/dbraw/zinc/11/23/81/250112381.db2.gz IEPBMQCOLHTJNS-UHFFFAOYSA-N 2 0 364.494 0.211 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000471639215 250112432 /nfs/dbraw/zinc/11/24/32/250112432.db2.gz XIZSAUBKESKFNL-SJORKVTESA-N 2 0 356.511 0.632 20 0 FCADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN1C1CC[NH+](C)CC1 ZINC000471659991 250113878 /nfs/dbraw/zinc/11/38/78/250113878.db2.gz UDXQEWHPQKOFJL-MRXNPFEDSA-N 2 0 355.527 0.375 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000472279829 250142540 /nfs/dbraw/zinc/14/25/40/250142540.db2.gz VPFCYECPCBLODO-ROUUACIJSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000472773325 250180979 /nfs/dbraw/zinc/18/09/79/250180979.db2.gz QNFYXSGVCAIEFZ-UHFFFAOYSA-N 2 0 351.539 0.299 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000480860876 250289283 /nfs/dbraw/zinc/28/92/83/250289283.db2.gz BTPCXZGDOQVMBL-UHFFFAOYSA-N 2 0 355.508 0.602 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539410 250340829 /nfs/dbraw/zinc/34/08/29/250340829.db2.gz JFARQSHCAXNGIQ-CVEARBPZSA-N 2 0 353.511 0.665 20 0 FCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000484261749 250500889 /nfs/dbraw/zinc/50/08/89/250500889.db2.gz IEHRXRZIKOPXNK-WBVHZDCISA-N 2 0 350.507 0.966 20 0 FCADRP C[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000269686846 211044486 /nfs/dbraw/zinc/04/44/86/211044486.db2.gz NLHFQYKRUFIRPP-UHFFFAOYSA-N 2 0 361.486 0.804 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1=O ZINC000073399889 208048126 /nfs/dbraw/zinc/04/81/26/208048126.db2.gz MQZNXBDEFNXVOU-KBPBESRZSA-N 2 0 352.504 0.877 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1=O ZINC000072998355 208044902 /nfs/dbraw/zinc/04/49/02/208044902.db2.gz JBFGGQIZGGOYOX-RDJZCZTQSA-N 2 0 364.465 0.955 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000081396108 208099833 /nfs/dbraw/zinc/09/98/33/208099833.db2.gz QVEYFYJGQQJNFD-UHFFFAOYSA-N 2 0 373.545 0.952 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000093187951 208152334 /nfs/dbraw/zinc/15/23/34/208152334.db2.gz VXHBWEKKTSIEJG-HDICACEKSA-N 2 0 366.550 0.972 20 0 FCADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000107371423 208243039 /nfs/dbraw/zinc/24/30/39/208243039.db2.gz JJYLZNGGRQBJJL-HNNXBMFYSA-N 2 0 351.495 0.419 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000113452667 208308426 /nfs/dbraw/zinc/30/84/26/208308426.db2.gz ZWIYIKSYTKOWGY-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP COc1cccc([C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C)c1 ZINC000120359121 208381996 /nfs/dbraw/zinc/38/19/96/208381996.db2.gz JWFBHQKSIBWMLU-AEFFLSMTSA-N 2 0 352.479 0.910 20 0 FCADRP COc1cccc([C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C)c1 ZINC000120358668 208382085 /nfs/dbraw/zinc/38/20/85/208382085.db2.gz JWFBHQKSIBWMLU-FUHWJXTLSA-N 2 0 352.479 0.910 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616730 208388518 /nfs/dbraw/zinc/38/85/18/208388518.db2.gz FPYYVABKNWDODX-CVEARBPZSA-N 2 0 367.538 0.911 20 0 FCADRP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000120948116 208393520 /nfs/dbraw/zinc/39/35/20/208393520.db2.gz XFMBELBAYPQTNW-IAGOWNOFSA-N 3 0 352.523 0.582 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1CCN1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000931887793 674151279 /nfs/dbraw/zinc/15/12/79/674151279.db2.gz WSUXIQYQCKIOSM-ZDUSSCGKSA-N 2 0 364.412 0.682 20 0 FCADRP COC1(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000166613255 208861495 /nfs/dbraw/zinc/86/14/95/208861495.db2.gz FDDPSDKTCCLYAO-IRXDYDNUSA-N 2 0 352.523 0.772 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180046687 209091343 /nfs/dbraw/zinc/09/13/43/209091343.db2.gz BNLVIZBTBWDELN-UHFFFAOYSA-N 2 0 350.467 0.546 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCOCC1 ZINC000177532804 209028256 /nfs/dbraw/zinc/02/82/56/209028256.db2.gz DRJCGNWWTFEHGC-UHFFFAOYSA-N 2 0 354.495 0.603 20 0 FCADRP COCC[NH2+]CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000178891416 209063438 /nfs/dbraw/zinc/06/34/38/209063438.db2.gz FYRAFOSQXSQHDL-UHFFFAOYSA-N 2 0 350.463 0.487 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413049649 533477166 /nfs/dbraw/zinc/47/71/66/533477166.db2.gz UTFUHMVFAFXLEK-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410431765 230077342 /nfs/dbraw/zinc/07/73/42/230077342.db2.gz IIKASQSMTVOEHM-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410433136 230077514 /nfs/dbraw/zinc/07/75/14/230077514.db2.gz KZKSSHSVCPVOTI-IRXDYDNUSA-N 2 0 368.522 0.356 20 0 FCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410483316 230098263 /nfs/dbraw/zinc/09/82/63/230098263.db2.gz DFLSLRPFILWNCZ-SFHVURJKSA-N 2 0 373.501 0.919 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410498036 230104444 /nfs/dbraw/zinc/10/44/44/230104444.db2.gz MGIRVTUHDSTBBY-DOTOQJQBSA-N 2 0 358.442 0.756 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000410502968 230108065 /nfs/dbraw/zinc/10/80/65/230108065.db2.gz LGXMSXMWVDXTJJ-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP Nc1nc(-n2cccn2)cc(NCCCC[NH+]2CCN(CCO)CC2)[nH+]1 ZINC000536767632 484547969 /nfs/dbraw/zinc/54/79/69/484547969.db2.gz ULOKWUSSKURLTA-UHFFFAOYSA-N 2 0 360.466 0.047 20 0 FCADRP OC[C@H]1CC[C@H](CO)[NH+]1Cc1ccccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287560686 488881757 /nfs/dbraw/zinc/88/17/57/488881757.db2.gz WWEVIRUADHTKQJ-UAFMIMERSA-N 2 0 364.486 0.322 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699589 488895126 /nfs/dbraw/zinc/89/51/26/488895126.db2.gz UHMUAWXRBXBXSQ-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327013917 488917720 /nfs/dbraw/zinc/91/77/20/488917720.db2.gz GDCLKUBITZICLM-HRCADAONSA-N 2 0 354.495 0.108 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283031 488943481 /nfs/dbraw/zinc/94/34/81/488943481.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 2 0 367.538 0.517 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051959448 488152202 /nfs/dbraw/zinc/15/22/02/488152202.db2.gz DLRYZOADLSWMEG-MRXNPFEDSA-N 2 0 366.506 0.110 20 0 FCADRP CC(C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830961 488383035 /nfs/dbraw/zinc/38/30/35/488383035.db2.gz ZVFDRMMWUIKRNT-WOJBJXKFSA-N 2 0 362.518 0.827 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1=O ZINC000073880575 488386755 /nfs/dbraw/zinc/38/67/55/488386755.db2.gz HXZOOYVSOKCXOG-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963569 488390204 /nfs/dbraw/zinc/39/02/04/488390204.db2.gz LSHQFMDKGUPITC-LBPRGKRZSA-N 2 0 367.416 0.332 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345536 488390954 /nfs/dbraw/zinc/39/09/54/488390954.db2.gz GOAXCXGRZZLJBO-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345147 488391140 /nfs/dbraw/zinc/39/11/40/488391140.db2.gz RCJZIJJUUXOQJW-KRWDZBQOSA-N 2 0 367.538 0.947 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000074345430 488391245 /nfs/dbraw/zinc/39/12/45/488391245.db2.gz NUGNOUBKNDEWBF-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345213 488391272 /nfs/dbraw/zinc/39/12/72/488391272.db2.gz LGJSFKMICFJRAE-MRXNPFEDSA-N 2 0 353.511 0.557 20 0 FCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000074345538 488391279 /nfs/dbraw/zinc/39/12/79/488391279.db2.gz AWVGXMHFRRMICF-CVEARBPZSA-N 2 0 353.511 0.605 20 0 FCADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562831765 491194803 /nfs/dbraw/zinc/19/48/03/491194803.db2.gz RSTPTNQGNPAJLM-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000074616592 488392691 /nfs/dbraw/zinc/39/26/91/488392691.db2.gz MEWDDFLUYSZZMV-QGZVFWFLSA-N 2 0 355.527 0.376 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074877874 488394546 /nfs/dbraw/zinc/39/45/46/488394546.db2.gz JJFYCEVCCZMPAG-WMZOPIPTSA-N 2 0 351.539 0.996 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076308864 488402921 /nfs/dbraw/zinc/40/29/21/488402921.db2.gz DSYYCOGPKGADSJ-GOSISDBHSA-N 2 0 354.539 0.923 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000077208631 488409318 /nfs/dbraw/zinc/40/93/18/488409318.db2.gz MNMRUCBNBZNSGI-IRXDYDNUSA-N 2 0 367.538 0.995 20 0 FCADRP C[C@@H]1CN(Cc2ccc(CN3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416601 /nfs/dbraw/zinc/41/66/01/488416601.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 0 364.486 0.850 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192591295 488422764 /nfs/dbraw/zinc/42/27/64/488422764.db2.gz XSQMMBXTLFMBGT-MRXNPFEDSA-N 2 0 369.535 0.920 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cn1 ZINC000237171556 488454255 /nfs/dbraw/zinc/45/42/55/488454255.db2.gz LRPJOQBYZGWSOX-QGZVFWFLSA-N 2 0 370.457 0.214 20 0 FCADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237898565 488457769 /nfs/dbraw/zinc/45/77/69/488457769.db2.gz MOHNTVFQOYPYFS-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092895135 488476708 /nfs/dbraw/zinc/47/67/08/488476708.db2.gz QHOPMJFEVCYPIS-UHFFFAOYSA-N 2 0 358.450 0.235 20 0 FCADRP Cn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000093735152 488479590 /nfs/dbraw/zinc/47/95/90/488479590.db2.gz MCZIKIRRKGCSKQ-UHFFFAOYSA-N 2 0 350.463 0.161 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1=O ZINC000247301818 488484554 /nfs/dbraw/zinc/48/45/54/488484554.db2.gz PDJKOFIUYNEARI-USXIJHARSA-N 2 0 350.507 0.905 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000102048637 488497177 /nfs/dbraw/zinc/49/71/77/488497177.db2.gz APFHUOXBIYGKDV-KRWDZBQOSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000103210965 488499928 /nfs/dbraw/zinc/49/99/28/488499928.db2.gz UYNXGCOYSBSWKS-SFHVURJKSA-N 2 0 360.502 0.987 20 0 FCADRP CCC(=O)N1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000269415871 488500651 /nfs/dbraw/zinc/50/06/51/488500651.db2.gz GHTCKQBAFOPVEM-QGZVFWFLSA-N 2 0 373.501 0.968 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CCOCC1 ZINC000249108384 488506401 /nfs/dbraw/zinc/50/64/01/488506401.db2.gz MBVDQHGAICAZOX-DLBZAZTESA-N 2 0 370.538 0.830 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000554459604 491203612 /nfs/dbraw/zinc/20/36/12/491203612.db2.gz SEWSRTASPLJUMH-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000105193273 488508048 /nfs/dbraw/zinc/50/80/48/488508048.db2.gz MUGUOYKUFONAKU-UHFFFAOYSA-N 2 0 369.554 0.765 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249371608 488509198 /nfs/dbraw/zinc/50/91/98/488509198.db2.gz WUPOGYKQJQENPU-AYOQOUSVSA-N 2 0 361.486 0.583 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000249849335 488514884 /nfs/dbraw/zinc/51/48/84/488514884.db2.gz PDXRXYCXVVLJGW-DLBZAZTESA-N 2 0 366.506 0.158 20 0 FCADRP CCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000107328643 488517596 /nfs/dbraw/zinc/51/75/96/488517596.db2.gz KYVFOCKOLURZMD-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109172682 488522260 /nfs/dbraw/zinc/52/22/60/488522260.db2.gz QOANWLVEBOUABT-SFHVURJKSA-N 2 0 370.538 0.879 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)O1 ZINC000261604815 488527118 /nfs/dbraw/zinc/52/71/18/488527118.db2.gz ALTUTPICBMJYCS-MSOLQXFVSA-N 2 0 374.485 0.635 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261653991 488529526 /nfs/dbraw/zinc/52/95/26/488529526.db2.gz JXYMPBGMYXGKKH-HNNXBMFYSA-N 2 0 368.503 0.224 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261799754 488536453 /nfs/dbraw/zinc/53/64/53/488536453.db2.gz IUXHQWXIPRSERD-VVLHAWIVSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)O1 ZINC000261846845 488537876 /nfs/dbraw/zinc/53/78/76/488537876.db2.gz RAWJWVOBKRFMTI-SJORKVTESA-N 2 0 360.458 0.957 20 0 FCADRP O=C(NCc1nc(-c2cccc(CN3CCOCC3)c2)no1)[C@@H]1CCC[NH2+]1 ZINC000261864566 488539161 /nfs/dbraw/zinc/53/91/61/488539161.db2.gz USHIWRCHSAJDOA-INIZCTEOSA-N 2 0 371.441 0.937 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562998 488541019 /nfs/dbraw/zinc/54/10/19/488541019.db2.gz XZVYEDWPWGBSCS-LJQANCHMSA-N 2 0 365.566 0.687 20 0 FCADRP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000115519488 488544830 /nfs/dbraw/zinc/54/48/30/488544830.db2.gz ZIHGVZVVWPAHDF-INIZCTEOSA-N 2 0 363.506 0.968 20 0 FCADRP O=C(CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)N1CC[NH2+]CC1 ZINC000262095053 488549913 /nfs/dbraw/zinc/54/99/13/488549913.db2.gz LRLUPGVJFORCFP-LJQANCHMSA-N 2 0 370.497 0.858 20 0 FCADRP C[NH+]1CC=C(CNC(=O)C2(C(=O)NCC3=CC[N@H+](C)CC3)CCC2)CC1 ZINC000271885530 488552147 /nfs/dbraw/zinc/55/21/47/488552147.db2.gz CYYZWDCDAWMJTL-UHFFFAOYSA-N 2 0 360.502 0.913 20 0 FCADRP O=C(CC[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000262165879 488554770 /nfs/dbraw/zinc/55/47/70/488554770.db2.gz QBJIRCZVIWPRSV-UHFFFAOYSA-N 2 0 362.449 0.796 20 0 FCADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000262188475 488556137 /nfs/dbraw/zinc/55/61/37/488556137.db2.gz JKMJGMGYUWEFBZ-MSOLQXFVSA-N 2 0 358.486 0.980 20 0 FCADRP C[N@H+](CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000120764988 488562703 /nfs/dbraw/zinc/56/27/03/488562703.db2.gz XPZAVERRSYOSPS-MRXNPFEDSA-N 2 0 363.531 0.887 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262305816 488562942 /nfs/dbraw/zinc/56/29/42/488562942.db2.gz CEQZQMVYTNVBFJ-SFHVURJKSA-N 2 0 374.485 0.507 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000122061975 488575103 /nfs/dbraw/zinc/57/51/03/488575103.db2.gz FGTXGLRAQXSGJF-HUUCEWRRSA-N 2 0 362.478 0.326 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000262598832 488580032 /nfs/dbraw/zinc/58/00/32/488580032.db2.gz WNYZKFKZTYEFNH-QBPKDAKJSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000123437017 488585394 /nfs/dbraw/zinc/58/53/94/488585394.db2.gz BHNJGGPUINHQLN-QGZVFWFLSA-N 2 0 362.474 0.650 20 0 FCADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000124231108 488590744 /nfs/dbraw/zinc/59/07/44/488590744.db2.gz UKHIZSGANDYTPG-KRWDZBQOSA-N 2 0 362.474 0.302 20 0 FCADRP CN1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000124357124 488591617 /nfs/dbraw/zinc/59/16/17/488591617.db2.gz CVSJEUNDJCDVJU-UHFFFAOYSA-N 2 0 359.474 0.147 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806806 488594374 /nfs/dbraw/zinc/59/43/74/488594374.db2.gz PUMPQXRDAKUKIF-SJORKVTESA-N 2 0 362.522 0.811 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000124634094 488594642 /nfs/dbraw/zinc/59/46/42/488594642.db2.gz WPAWCPPJUCJVAF-CQSZACIVSA-N 2 0 350.467 0.233 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262897048 488598198 /nfs/dbraw/zinc/59/81/98/488598198.db2.gz PDIBZIZZCJXQAH-IRXDYDNUSA-N 2 0 362.474 0.364 20 0 FCADRP [NH3+]C1(CNC(=O)CN2CCC(=O)NC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000570042003 491211555 /nfs/dbraw/zinc/21/15/55/491211555.db2.gz OUZVVLCFHJTSGR-UHFFFAOYSA-N 2 0 373.457 0.038 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000263245127 488607261 /nfs/dbraw/zinc/60/72/61/488607261.db2.gz MOWYFGCBDAHPRK-KRWDZBQOSA-N 2 0 350.463 0.343 20 0 FCADRP [NH3+]CCCn1cc(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)nn1 ZINC000563069194 491211826 /nfs/dbraw/zinc/21/18/26/491211826.db2.gz HXWCJVIRIKQSBX-QGZVFWFLSA-N 2 0 372.473 0.300 20 0 FCADRP COC[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)C(C)C ZINC000127181645 488615275 /nfs/dbraw/zinc/61/52/75/488615275.db2.gz WZTMDWAADMVPMP-MRXNPFEDSA-N 2 0 370.519 0.794 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000128181326 488622658 /nfs/dbraw/zinc/62/26/58/488622658.db2.gz LGZWTAIZJGIFLQ-ZBFHGGJFSA-N 2 0 357.462 0.900 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000129172258 488629176 /nfs/dbraw/zinc/62/91/76/488629176.db2.gz GIKLFIOLSDDTTE-KRWDZBQOSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000563077620 491213002 /nfs/dbraw/zinc/21/30/02/491213002.db2.gz FOZRSWPXJMUYMF-INIZCTEOSA-N 2 0 364.494 0.649 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000563081959 491213722 /nfs/dbraw/zinc/21/37/22/491213722.db2.gz XYKSNNZPKOSHDJ-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP Cc1nc2cc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)ccc2n1C ZINC000130805145 488640199 /nfs/dbraw/zinc/64/01/99/488640199.db2.gz MPFBVDRWPJTKOH-ZDUSSCGKSA-N 2 0 372.473 0.572 20 0 FCADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000132028302 488650084 /nfs/dbraw/zinc/65/00/84/488650084.db2.gz NNUCPMGSKOVTGY-HNNXBMFYSA-N 2 0 362.474 0.554 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554573292 491210327 /nfs/dbraw/zinc/21/03/27/491210327.db2.gz WWCNDDNNYMQIJW-IAGOWNOFSA-N 2 0 355.527 0.111 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000136644679 488678588 /nfs/dbraw/zinc/67/85/88/488678588.db2.gz KIRZILYOKFWUFL-KRWDZBQOSA-N 2 0 363.506 0.561 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000264488692 488678765 /nfs/dbraw/zinc/67/87/65/488678765.db2.gz PFKHQDIKRMZLCT-DLBZAZTESA-N 2 0 361.490 0.928 20 0 FCADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136814287 488679094 /nfs/dbraw/zinc/67/90/94/488679094.db2.gz CREOUGUWXQBFIM-JKSUJKDBSA-N 2 0 353.511 0.665 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC000138494450 488682140 /nfs/dbraw/zinc/68/21/40/488682140.db2.gz VJSKLCYXCWIQEK-INIZCTEOSA-N 2 0 353.511 0.665 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)CC[C@@H]21 ZINC000141409625 488687583 /nfs/dbraw/zinc/68/75/83/488687583.db2.gz CZHVHLBNIKLSDI-IKGGRYGDSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CC[N@H+](C)CC1 ZINC000554630649 491214200 /nfs/dbraw/zinc/21/42/00/491214200.db2.gz XOCRAVTWUUXIRM-OAHLLOKOSA-N 2 0 350.507 0.991 20 0 FCADRP C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000563095405 491214983 /nfs/dbraw/zinc/21/49/83/491214983.db2.gz RSTUVEFGJOOZCK-PBHICJAKSA-N 2 0 364.465 0.975 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000153036204 488726035 /nfs/dbraw/zinc/72/60/35/488726035.db2.gz UBEUHOGQLZWSFX-SFHVURJKSA-N 2 0 360.502 0.734 20 0 FCADRP COC(=O)[C@@H](NC(=O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C(C)C ZINC000570087602 491215570 /nfs/dbraw/zinc/21/55/70/491215570.db2.gz RXVVSAVSUSAKAG-JZXOWHBKSA-N 2 0 368.522 0.258 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266812304 488732768 /nfs/dbraw/zinc/73/27/68/488732768.db2.gz GHDKMRPSYPJTAO-QGZVFWFLSA-N 2 0 361.490 0.431 20 0 FCADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155124093 488751765 /nfs/dbraw/zinc/75/17/65/488751765.db2.gz GSAREUQZYLLBLL-CABCVRRESA-N 2 0 354.520 0.881 20 0 FCADRP COc1cccc(-n2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn2)c1 ZINC000570156380 491220303 /nfs/dbraw/zinc/22/03/03/491220303.db2.gz OULQMTBAGXAXKC-UHFFFAOYSA-N 2 0 360.462 0.841 20 0 FCADRP NC(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267034255 488755621 /nfs/dbraw/zinc/75/56/21/488755621.db2.gz SJPXAWKLGZVQCT-INIZCTEOSA-N 2 0 360.462 0.253 20 0 FCADRP Cc1nc(CC[NH+](C)CCOCC[N@@H+](C)CCc2noc(C)n2)no1 ZINC000267465680 488788636 /nfs/dbraw/zinc/78/86/36/488788636.db2.gz WFSKKFMXQAUXTP-UHFFFAOYSA-N 2 0 352.439 0.735 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000171898728 488828480 /nfs/dbraw/zinc/82/84/80/488828480.db2.gz NQWUGTNBXBHTNM-KRWDZBQOSA-N 2 0 356.511 0.347 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000172246282 488831467 /nfs/dbraw/zinc/83/14/67/488831467.db2.gz KEQJVSKKTOZHPB-UHFFFAOYSA-N 2 0 371.485 0.786 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000172595321 488835580 /nfs/dbraw/zinc/83/55/80/488835580.db2.gz KQJBTPFGGTWBTM-GOSISDBHSA-N 2 0 370.538 0.831 20 0 FCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199380 491223890 /nfs/dbraw/zinc/22/38/90/491223890.db2.gz NNNFHCXLODTVSA-HOCLYGCPSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000174778711 488851067 /nfs/dbraw/zinc/85/10/67/488851067.db2.gz MIHFGIPVSKVMHX-LPHOPBHVSA-N 2 0 372.513 0.960 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000175241926 488853460 /nfs/dbraw/zinc/85/34/60/488853460.db2.gz GIPFLYSLIXWLFZ-UHFFFAOYSA-N 2 0 350.463 0.771 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000175780047 488855731 /nfs/dbraw/zinc/85/57/31/488855731.db2.gz GHJUQZGEGGDICX-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176164957 488857565 /nfs/dbraw/zinc/85/75/65/488857565.db2.gz GGIODHSMBSNLBZ-GOSISDBHSA-N 2 0 368.522 0.849 20 0 FCADRP NC(=O)CC1CC[NH+](CCOCC[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000178595402 488860524 /nfs/dbraw/zinc/86/05/24/488860524.db2.gz GUOICHSPQVTUSE-UHFFFAOYSA-N 2 0 354.495 0.178 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2n[nH]cc21 ZINC000563183858 491225647 /nfs/dbraw/zinc/22/56/47/491225647.db2.gz XWXKFURBDMMOHL-UHFFFAOYSA-N 2 0 360.462 0.762 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288467114 488983321 /nfs/dbraw/zinc/98/33/21/488983321.db2.gz GXHFUARTZQATGG-UHFFFAOYSA-N 2 0 372.513 0.754 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000570266368 491228924 /nfs/dbraw/zinc/22/89/24/491228924.db2.gz WIGABKYKNWKFHH-INIZCTEOSA-N 2 0 350.438 0.660 20 0 FCADRP COC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312019 489066456 /nfs/dbraw/zinc/06/64/56/489066456.db2.gz ZEMLLRYZVDLHRT-ZBFHGGJFSA-N 2 0 373.519 0.575 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(CC3(O)CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000330211537 489080445 /nfs/dbraw/zinc/08/04/45/489080445.db2.gz DCMZHPALBHVQEF-IYBDPMFKSA-N 2 0 374.547 0.747 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCN1CCO ZINC000330304654 489089807 /nfs/dbraw/zinc/08/98/07/489089807.db2.gz KLYZNXUZECAXMB-GOSISDBHSA-N 2 0 360.502 0.724 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365942092 489128622 /nfs/dbraw/zinc/12/86/22/489128622.db2.gz RXJSCINAIJRZAO-CQSZACIVSA-N 2 0 364.494 0.935 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366253518 489163542 /nfs/dbraw/zinc/16/35/42/489163542.db2.gz FEBUGRVGULSGRV-GOSISDBHSA-N 2 0 351.495 0.276 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)C1=CC[N@H+](C)CC1 ZINC000290760108 489163615 /nfs/dbraw/zinc/16/36/15/489163615.db2.gz ZUSLXZLAIADBSR-GDBMZVCRSA-N 2 0 357.458 0.543 20 0 FCADRP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000331020842 489166382 /nfs/dbraw/zinc/16/63/82/489166382.db2.gz RSPMSIOTGKSEBG-HNNXBMFYSA-N 2 0 354.520 0.662 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000563324525 491236796 /nfs/dbraw/zinc/23/67/96/491236796.db2.gz UBFZRMATHGZSTB-KRWDZBQOSA-N 2 0 369.554 0.032 20 0 FCADRP COC[C@H](C)OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000570390065 491237501 /nfs/dbraw/zinc/23/75/01/491237501.db2.gz HASGAIJZAGIQLE-UCHQMPSGSA-N 2 0 357.495 0.072 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331379896 489203810 /nfs/dbraw/zinc/20/38/10/489203810.db2.gz GECSJXAQINVJIS-DMRKSPOLSA-N 2 0 350.507 0.537 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283225528 489230091 /nfs/dbraw/zinc/23/00/91/489230091.db2.gz ABWWFODWROWOOI-QGZVFWFLSA-N 2 0 358.486 0.930 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000369356445 489230300 /nfs/dbraw/zinc/23/03/00/489230300.db2.gz XCELJXIPFMDORI-IBGZPJMESA-N 2 0 360.502 0.885 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332821980 489235636 /nfs/dbraw/zinc/23/56/36/489235636.db2.gz CMTUCRHRPQTNDY-BPQIPLTHSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000332834620 489237579 /nfs/dbraw/zinc/23/75/79/489237579.db2.gz HUZQAVRZEILUSM-CWLKWCNXSA-N 2 0 368.522 0.461 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208192 489258681 /nfs/dbraw/zinc/25/86/81/489258681.db2.gz BBMLYUCPIHTCMM-QLFBSQMISA-N 2 0 361.494 0.757 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369675524 489262495 /nfs/dbraw/zinc/26/24/95/489262495.db2.gz GRHXFRSVPDORHX-UHFFFAOYSA-N 2 0 352.483 1.240 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000369698992 489266414 /nfs/dbraw/zinc/26/64/14/489266414.db2.gz ZKDNEYQTRRRIPI-HNNXBMFYSA-N 2 0 364.494 1.162 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587958 489278202 /nfs/dbraw/zinc/27/82/02/489278202.db2.gz VIMYRFNJCTZINE-QZTJIDSGSA-N 2 0 374.485 0.214 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587964 489278223 /nfs/dbraw/zinc/27/82/23/489278223.db2.gz VIMYRFNJCTZINE-ZWKOTPCHSA-N 2 0 374.485 0.214 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283620650 489282087 /nfs/dbraw/zinc/28/20/87/489282087.db2.gz XMRZZYAZJPOJPW-QGZVFWFLSA-N 2 0 362.474 0.072 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000570514543 491246281 /nfs/dbraw/zinc/24/62/81/491246281.db2.gz PTXMNARIWMUHMP-HNNXBMFYSA-N 2 0 357.524 0.682 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370068298 489313227 /nfs/dbraw/zinc/31/32/27/489313227.db2.gz WQNDFXRNVAOTGU-SJORKVTESA-N 2 0 374.485 0.975 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075990 489314084 /nfs/dbraw/zinc/31/40/84/489314084.db2.gz CWOKLWAJEMOTLA-AEFFLSMTSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370128115 489318566 /nfs/dbraw/zinc/31/85/66/489318566.db2.gz DINANQPESAKQIV-BRWVUGGUSA-N 2 0 352.479 0.213 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1)CN1CCOCC1 ZINC000285867727 489328233 /nfs/dbraw/zinc/32/82/33/489328233.db2.gz KTLSQHNTXVNBIH-CABCVRRESA-N 2 0 363.462 0.548 20 0 FCADRP C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370282609 489339433 /nfs/dbraw/zinc/33/94/33/489339433.db2.gz XMXLCJQISQWQMW-HLLBOEOZSA-N 2 0 354.495 0.648 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473935 489364455 /nfs/dbraw/zinc/36/44/55/489364455.db2.gz TZKRMOOWAFNNJU-BURFUSLBSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659830 489414405 /nfs/dbraw/zinc/41/44/05/489414405.db2.gz LYSOAEBNTJIRAK-GDBMZVCRSA-N 2 0 355.442 0.816 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000563609242 491257741 /nfs/dbraw/zinc/25/77/41/491257741.db2.gz XPWLSUKDCNMXHC-GOSISDBHSA-N 2 0 362.474 0.901 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021152 489438967 /nfs/dbraw/zinc/43/89/67/489438967.db2.gz XQHUVNWAPVDDRL-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000371342873 489478895 /nfs/dbraw/zinc/47/88/95/489478895.db2.gz ZYFOBFOIBFWCDF-FGTMMUONSA-N 2 0 352.523 0.630 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349614 489479148 /nfs/dbraw/zinc/47/91/48/489479148.db2.gz KORBPZVBLSVJQH-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558158 489488245 /nfs/dbraw/zinc/48/82/45/489488245.db2.gz PIELFGUUAUCHCW-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596244 491256959 /nfs/dbraw/zinc/25/69/59/491256959.db2.gz MOKXNSXQMZLHOT-CVEARBPZSA-N 2 0 353.511 0.618 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000423146351 489497051 /nfs/dbraw/zinc/49/70/51/489497051.db2.gz AHXVXFFLKHJGAN-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423154351 489497434 /nfs/dbraw/zinc/49/74/34/489497434.db2.gz OTPNSXLBTCAGLA-KSZLIROESA-N 2 0 362.518 0.921 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423163320 489498376 /nfs/dbraw/zinc/49/83/76/489498376.db2.gz MOZZKHLQOCIATO-KRWDZBQOSA-N 2 0 361.490 0.572 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423158836 489498405 /nfs/dbraw/zinc/49/84/05/489498405.db2.gz DOBDISASQDWEKE-CVEARBPZSA-N 2 0 362.474 0.546 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000423167603 489498643 /nfs/dbraw/zinc/49/86/43/489498643.db2.gz SNJSOCABNLBAEQ-UHFFFAOYSA-N 2 0 352.454 0.784 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000555612354 491259317 /nfs/dbraw/zinc/25/93/17/491259317.db2.gz WZFZOQHSONXORX-UHFFFAOYSA-N 2 0 373.501 0.778 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCCc2ccccc2)CC[NH+](C)C)C1 ZINC000423200510 489501969 /nfs/dbraw/zinc/50/19/69/489501969.db2.gz MGUZJTWOXVTQRI-SFHVURJKSA-N 2 0 360.502 0.830 20 0 FCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423205409 489502762 /nfs/dbraw/zinc/50/27/62/489502762.db2.gz VMGZKJGDGGREIP-GOSISDBHSA-N 2 0 360.502 0.817 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423207522 489502971 /nfs/dbraw/zinc/50/29/71/489502971.db2.gz RTNUGPDRTOPIFG-INMHGKMJSA-N 2 0 366.506 0.284 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423211273 489503405 /nfs/dbraw/zinc/50/34/05/489503405.db2.gz KSJKKFFTGDYPSN-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423233605 489505764 /nfs/dbraw/zinc/50/57/64/489505764.db2.gz DUSUSUHAGNLFGX-ZBFHGGJFSA-N 2 0 350.507 0.776 20 0 FCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423262286 489508432 /nfs/dbraw/zinc/50/84/32/489508432.db2.gz UXOQPZDQQUSLCH-HDICACEKSA-N 2 0 358.486 0.563 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000563633967 491259975 /nfs/dbraw/zinc/25/99/75/491259975.db2.gz BLNQVPNDXDVBCV-RYUDHWBXSA-N 2 0 365.400 0.214 20 0 FCADRP CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000563641145 491260593 /nfs/dbraw/zinc/26/05/93/491260593.db2.gz GWKODTMJOGGQBI-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000415566407 489530998 /nfs/dbraw/zinc/53/09/98/489530998.db2.gz PKJKHBKQXKPOPT-UONOGXRCSA-N 2 0 362.478 0.687 20 0 FCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1)C1CC1 ZINC000415601609 489534947 /nfs/dbraw/zinc/53/49/47/489534947.db2.gz PUDGDZFTLSRTJQ-QGZVFWFLSA-N 2 0 360.458 0.448 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000451992620 489536774 /nfs/dbraw/zinc/53/67/74/489536774.db2.gz UGHPDARFYNLKGH-UHFFFAOYSA-N 2 0 365.522 0.857 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000372099644 489544565 /nfs/dbraw/zinc/54/45/65/489544565.db2.gz XFCXVWKSMUQHIF-IBGZPJMESA-N 2 0 362.449 0.830 20 0 FCADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372115378 489546087 /nfs/dbraw/zinc/54/60/87/489546087.db2.gz GQDQMLKWZAQZMF-FUHWJXTLSA-N 2 0 351.491 0.811 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415724337 489546382 /nfs/dbraw/zinc/54/63/82/489546382.db2.gz KTXKHOITYUNGGU-KRWDZBQOSA-N 2 0 359.474 0.193 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)CC1 ZINC000415761148 489550808 /nfs/dbraw/zinc/55/08/08/489550808.db2.gz MWHDOKVEUDECNT-PIIMJCKOSA-N 2 0 371.485 0.490 20 0 FCADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCN(c2cnccn2)CC1 ZINC000563670367 491262476 /nfs/dbraw/zinc/26/24/76/491262476.db2.gz JFCCTPTXKZJREJ-QGZVFWFLSA-N 2 0 358.490 0.589 20 0 FCADRP CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000454063689 489560819 /nfs/dbraw/zinc/56/08/19/489560819.db2.gz BPTGHRARMOCKMC-UHFFFAOYSA-N 2 0 356.430 1.196 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000415893266 489563933 /nfs/dbraw/zinc/56/39/33/489563933.db2.gz MTDSAWBDOKLINR-HUUCEWRRSA-N 2 0 360.458 0.633 20 0 FCADRP CC(C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+]1CCN(C)CC1 ZINC000415992758 489567474 /nfs/dbraw/zinc/56/74/74/489567474.db2.gz HQNAZMKCNLMCDL-CHWSQXEVSA-N 2 0 353.433 0.837 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416152574 489572138 /nfs/dbraw/zinc/57/21/38/489572138.db2.gz XTMWUVAVMSTZCW-SFHVURJKSA-N 2 0 358.486 0.891 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)NC1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000416185222 489573412 /nfs/dbraw/zinc/57/34/12/489573412.db2.gz SYRANTGOPXBJKO-BHUNQDJPSA-N 2 0 350.507 0.966 20 0 FCADRP COc1nc(NCC[NH+]2CCCCC2)nc(NCC[NH+]2CCCCC2)n1 ZINC000426553200 489574862 /nfs/dbraw/zinc/57/48/62/489574862.db2.gz BZLHMBHZZUDGHL-UHFFFAOYSA-N 2 0 363.510 0.520 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000555668777 491263885 /nfs/dbraw/zinc/26/38/85/491263885.db2.gz UEVRNACPCCZEST-KRWDZBQOSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000555668780 491264027 /nfs/dbraw/zinc/26/40/27/491264027.db2.gz UEVRNACPCCZEST-QGZVFWFLSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000555667327 491264101 /nfs/dbraw/zinc/26/41/01/491264101.db2.gz CJLSJBYHGIPEHN-UHFFFAOYSA-N 2 0 350.507 0.966 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000563704969 491264132 /nfs/dbraw/zinc/26/41/32/491264132.db2.gz APSMIMRVOXIHCE-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000563713470 491264683 /nfs/dbraw/zinc/26/46/83/491264683.db2.gz GZLYPAKXZKETQZ-OAHLLOKOSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000563709594 491264864 /nfs/dbraw/zinc/26/48/64/491264864.db2.gz SYGRKGYBANLQRR-IAGOWNOFSA-N 2 0 360.506 0.883 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427069779 489593208 /nfs/dbraw/zinc/59/32/08/489593208.db2.gz NQRWZRPMVHMBTJ-UHFFFAOYSA-N 2 0 364.494 0.936 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000555730023 491268106 /nfs/dbraw/zinc/26/81/06/491268106.db2.gz BZWKXZUTFJEUJQ-QGZVFWFLSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000555697871 491266478 /nfs/dbraw/zinc/26/64/78/491266478.db2.gz BCLHTYAHOVMSNS-ROUUACIJSA-N 2 0 360.502 0.876 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000555697872 491266540 /nfs/dbraw/zinc/26/65/40/491266540.db2.gz BCLHTYAHOVMSNS-ZWKOTPCHSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000555697859 491266647 /nfs/dbraw/zinc/26/66/47/491266647.db2.gz AWKCDSCTVIJDQU-UHFFFAOYSA-N 2 0 354.495 0.204 20 0 FCADRP CC1(C)CC(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000416792886 489629372 /nfs/dbraw/zinc/62/93/72/489629372.db2.gz MOFTYIPBLOPNJU-CYBMUJFWSA-N 2 0 353.511 0.792 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810611 489629981 /nfs/dbraw/zinc/62/99/81/489629981.db2.gz QYGVCYUVYXYTQM-SJORKVTESA-N 2 0 361.490 0.786 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416848812 489631155 /nfs/dbraw/zinc/63/11/55/489631155.db2.gz WXVOZFXJBMSNNP-LJQANCHMSA-N 2 0 374.533 0.007 20 0 FCADRP COC[C@]1(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000416957881 489636171 /nfs/dbraw/zinc/63/61/71/489636171.db2.gz OKSBEKJBZSRSDP-FUHWJXTLSA-N 2 0 355.527 0.326 20 0 FCADRP C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000416955187 489636197 /nfs/dbraw/zinc/63/61/97/489636197.db2.gz WTVKUMWTZWPAMO-RDJZCZTQSA-N 2 0 360.506 0.960 20 0 FCADRP COCC1(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC000416966384 489637225 /nfs/dbraw/zinc/63/72/25/489637225.db2.gz YEYBECUCXMNSSR-QGZVFWFLSA-N 2 0 369.554 0.574 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417008077 489638011 /nfs/dbraw/zinc/63/80/11/489638011.db2.gz ICUQVMDKEIZVMI-INIZCTEOSA-N 2 0 353.511 0.747 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000417013657 489638508 /nfs/dbraw/zinc/63/85/08/489638508.db2.gz CXXPNGUXPGVCNO-HCXYKTFWSA-N 2 0 357.502 0.882 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417013818 489638667 /nfs/dbraw/zinc/63/86/67/489638667.db2.gz CTVWGIHMYAJPCX-LESCRADOSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417013817 489638751 /nfs/dbraw/zinc/63/87/51/489638751.db2.gz CTVWGIHMYAJPCX-KYJSFNMBSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000417130115 489642682 /nfs/dbraw/zinc/64/26/82/489642682.db2.gz ASTDEOSPKXTEHG-KYJSFNMBSA-N 2 0 365.522 0.664 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000417158008 489643882 /nfs/dbraw/zinc/64/38/82/489643882.db2.gz NLZDSFCJBAIJIE-QGZVFWFLSA-N 2 0 365.522 0.890 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457509473 489647489 /nfs/dbraw/zinc/64/74/89/489647489.db2.gz DKOQLAQDFIXODB-OAHLLOKOSA-N 2 0 350.507 0.955 20 0 FCADRP COc1ccc(C[NH+]2CCC(CNC(=O)N(CC[NH3+])CCO)CC2)cc1 ZINC000417319090 489648067 /nfs/dbraw/zinc/64/80/67/489648067.db2.gz BDRDBDVPVIIBBE-UHFFFAOYSA-N 2 0 364.490 0.870 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417312623 489648288 /nfs/dbraw/zinc/64/82/88/489648288.db2.gz NXYBSWLUVUBRRW-JKSUJKDBSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000417363657 489649624 /nfs/dbraw/zinc/64/96/24/489649624.db2.gz GIRLMUTVEBCSSN-SJORKVTESA-N 3 0 360.506 0.986 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417355275 489649849 /nfs/dbraw/zinc/64/98/49/489649849.db2.gz DFOZMZGYRWJHFL-MRXNPFEDSA-N 2 0 350.463 0.886 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417378731 489650340 /nfs/dbraw/zinc/65/03/40/489650340.db2.gz FLONJCJIWGZKDB-ROUUACIJSA-N 3 0 372.517 0.845 20 0 FCADRP C[NH2+][C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417379118 489650444 /nfs/dbraw/zinc/65/04/44/489650444.db2.gz FYAQKDBRXMVVJO-KRWDZBQOSA-N 3 0 360.506 0.987 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000457610547 489651772 /nfs/dbraw/zinc/65/17/72/489651772.db2.gz UTBOPSOEODDCNK-SJORKVTESA-N 2 0 356.511 0.489 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417430599 489652366 /nfs/dbraw/zinc/65/23/66/489652366.db2.gz PNORHNRMBHCQRU-OWCLPIDISA-N 2 0 351.495 0.465 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000457629970 489652813 /nfs/dbraw/zinc/65/28/13/489652813.db2.gz CBMSYMLIOSUKCT-IYBDPMFKSA-N 2 0 355.527 0.109 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417430600 489652886 /nfs/dbraw/zinc/65/28/86/489652886.db2.gz PNORHNRMBHCQRU-PMPSAXMXSA-N 2 0 351.495 0.465 20 0 FCADRP CCCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000417427975 489652956 /nfs/dbraw/zinc/65/29/56/489652956.db2.gz KBOHSVGPCLBLBE-HZPDHXFCSA-N 2 0 353.511 0.713 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449957 489655044 /nfs/dbraw/zinc/65/50/44/489655044.db2.gz YYQYXNXCVJLDPL-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP C[N@H+](CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000417506543 489656146 /nfs/dbraw/zinc/65/61/46/489656146.db2.gz MAFVRLTVSVDQPX-INIZCTEOSA-N 2 0 353.511 0.890 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511057 489656964 /nfs/dbraw/zinc/65/69/64/489656964.db2.gz YCZSIBRFKWKZQV-RBUKOAKNSA-N 2 0 359.518 0.754 20 0 FCADRP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417548609 489658037 /nfs/dbraw/zinc/65/80/37/489658037.db2.gz RCPODZONOXUCDZ-SJORKVTESA-N 2 0 361.490 0.920 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551628 489658069 /nfs/dbraw/zinc/65/80/69/489658069.db2.gz OEVKURMRZVQKKC-CVEARBPZSA-N 2 0 353.511 0.603 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417582424 489659157 /nfs/dbraw/zinc/65/91/57/489659157.db2.gz IAUWCVFCIGADGA-HZPDHXFCSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417864013 489669107 /nfs/dbraw/zinc/66/91/07/489669107.db2.gz AWQRFEUMTISDOG-FVQBIDKESA-N 2 0 351.495 0.498 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000555754056 491270480 /nfs/dbraw/zinc/27/04/80/491270480.db2.gz KCCJRWLRXRQMJE-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000418002141 489674954 /nfs/dbraw/zinc/67/49/54/489674954.db2.gz LRGPJIPSPDYWSB-PMPSAXMXSA-N 2 0 351.495 0.323 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418026585 489675988 /nfs/dbraw/zinc/67/59/88/489675988.db2.gz WEWWYAVCTXOTFD-MRXNPFEDSA-N 2 0 356.511 0.742 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408406 489680845 /nfs/dbraw/zinc/68/08/45/489680845.db2.gz DKCOGEXCZKMPMX-CVEARBPZSA-N 2 0 353.511 0.605 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+](C2CC2)C1 ZINC000458404020 489681250 /nfs/dbraw/zinc/68/12/50/489681250.db2.gz AXTWBOFJGANIIY-JKSUJKDBSA-N 2 0 365.522 0.700 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+](C2CC2)C1 ZINC000458404015 489681332 /nfs/dbraw/zinc/68/13/32/489681332.db2.gz AXTWBOFJGANIIY-CVEARBPZSA-N 2 0 365.522 0.700 20 0 FCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000458406341 489681342 /nfs/dbraw/zinc/68/13/42/489681342.db2.gz CBKPRFWMAMNKCG-CVEARBPZSA-N 2 0 353.511 0.700 20 0 FCADRP C[NH+](C)CCCC(C)(C)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000458427134 489682596 /nfs/dbraw/zinc/68/25/96/489682596.db2.gz NUIQSXXIHRQBHZ-HNNXBMFYSA-N 2 0 355.527 0.993 20 0 FCADRP CCN1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000418189196 489683539 /nfs/dbraw/zinc/68/35/39/489683539.db2.gz VBZRCQJBFYZJMK-OWSLCNJRSA-N 2 0 362.474 0.328 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461432 489684177 /nfs/dbraw/zinc/68/41/77/489684177.db2.gz PHNLNJXNVMFVST-MSOLQXFVSA-N 2 0 369.554 0.406 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418190962 489684358 /nfs/dbraw/zinc/68/43/58/489684358.db2.gz XAXUWWFTYTWXRP-KBPBESRZSA-N 2 0 365.444 0.996 20 0 FCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212071 489685011 /nfs/dbraw/zinc/68/50/11/489685011.db2.gz ZJRLCNDDAVFJMR-SJORKVTESA-N 2 0 367.538 0.960 20 0 FCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205921 489685069 /nfs/dbraw/zinc/68/50/69/489685069.db2.gz ZVGYIWLORUJOGF-IRXDYDNUSA-N 2 0 367.538 0.960 20 0 FCADRP C[C@@H](CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000458509008 489686730 /nfs/dbraw/zinc/68/67/30/489686730.db2.gz KMYNBGGTAKBSBM-AWEZNQCLSA-N 2 0 355.527 0.862 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418298532 489689072 /nfs/dbraw/zinc/68/90/72/489689072.db2.gz MGSFOEOMPXYDRG-UHFFFAOYSA-N 2 0 355.527 0.424 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418391016 489695385 /nfs/dbraw/zinc/69/53/85/489695385.db2.gz YEGYQEKKADHQDF-INIZCTEOSA-N 2 0 367.538 0.864 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000458704064 489696911 /nfs/dbraw/zinc/69/69/11/489696911.db2.gz WVLYHLSHOUKLJK-GOSISDBHSA-N 2 0 364.490 0.283 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418482709 489701297 /nfs/dbraw/zinc/70/12/97/489701297.db2.gz BISVCOXPKBTFNJ-ZWKOTPCHSA-N 2 0 364.490 0.405 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418483390 489701716 /nfs/dbraw/zinc/70/17/16/489701716.db2.gz CDDCJSZXIWYGKP-QZTJIDSGSA-N 2 0 364.490 0.405 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418549659 489706296 /nfs/dbraw/zinc/70/62/96/489706296.db2.gz GIDPSKSWKIXDPW-KRWDZBQOSA-N 2 0 359.474 0.819 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418559293 489707111 /nfs/dbraw/zinc/70/71/11/489707111.db2.gz CGUAQMJLROPLBY-ZENOOKHLSA-N 2 0 354.401 0.698 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418569989 489707661 /nfs/dbraw/zinc/70/76/61/489707661.db2.gz PXATYYLPPUGUSI-JKIFEVAISA-N 2 0 367.444 0.613 20 0 FCADRP [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000418613890 489710403 /nfs/dbraw/zinc/71/04/03/489710403.db2.gz GBRUAJGNPULYAT-MRXNPFEDSA-N 2 0 351.495 0.454 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418609596 489710484 /nfs/dbraw/zinc/71/04/84/489710484.db2.gz GAWVVNWSWMBUJP-RWMBFGLXSA-N 2 0 351.417 0.591 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623400 489711842 /nfs/dbraw/zinc/71/18/42/489711842.db2.gz XCVZZVSRYMXHKK-AVGNSLFASA-N 2 0 351.417 0.734 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418624304 489712731 /nfs/dbraw/zinc/71/27/31/489712731.db2.gz YVWJUXLTTFEWBX-CHWSQXEVSA-N 2 0 353.433 0.837 20 0 FCADRP C[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000418672939 489717276 /nfs/dbraw/zinc/71/72/76/489717276.db2.gz UXOVTBBQBHSEGU-CRNXPOROSA-N 2 0 351.495 0.402 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000469659592 489719043 /nfs/dbraw/zinc/71/90/43/489719043.db2.gz HGAUCPJUFMVOMF-UHFFFAOYSA-N 2 0 352.483 0.894 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418750713 489722052 /nfs/dbraw/zinc/72/20/52/489722052.db2.gz PDWKQZWORGUXFB-MRXNPFEDSA-N 2 0 353.511 0.714 20 0 FCADRP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786732 489726958 /nfs/dbraw/zinc/72/69/58/489726958.db2.gz JFGSEUJJUGETKH-BZSNNMDCSA-N 2 0 362.474 0.300 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418795494 489728343 /nfs/dbraw/zinc/72/83/43/489728343.db2.gz SBSIMGREAHGHPQ-GOSISDBHSA-N 2 0 368.522 0.899 20 0 FCADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459379926 489730219 /nfs/dbraw/zinc/73/02/19/489730219.db2.gz YOHDUDXEHNVEEA-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807368 489732165 /nfs/dbraw/zinc/73/21/65/489732165.db2.gz PTVCAPWHCBAQRD-MRXNPFEDSA-N 2 0 368.522 0.485 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCCC1 ZINC000418823475 489740741 /nfs/dbraw/zinc/74/07/41/489740741.db2.gz NRUJMIXUOOHUBW-UHFFFAOYSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000418826693 489741126 /nfs/dbraw/zinc/74/11/26/489741126.db2.gz GIDQZKQGWMDHPI-MCIONIFRSA-N 2 0 352.504 0.910 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418825642 489741559 /nfs/dbraw/zinc/74/15/59/489741559.db2.gz AKWDIPPUQADPBT-OKYOBFRVSA-N 2 0 372.513 0.780 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000418827828 489742551 /nfs/dbraw/zinc/74/25/51/489742551.db2.gz HGLBBZACNFELGO-HZPDHXFCSA-N 2 0 366.506 0.333 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836082 489746836 /nfs/dbraw/zinc/74/68/36/489746836.db2.gz PAUMOEIZEJCJJK-KGLIPLIRSA-N 2 0 354.495 0.596 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)([NH+](C)C)C1 ZINC000563900069 491276241 /nfs/dbraw/zinc/27/62/41/491276241.db2.gz ORJHSLRCBUHQQW-BSXFFOKHSA-N 2 0 351.495 0.450 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576766 489748037 /nfs/dbraw/zinc/74/80/37/489748037.db2.gz XOGLKEBPEHFTDP-QWHCGFSZSA-N 2 0 354.476 0.722 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000418838691 489748839 /nfs/dbraw/zinc/74/88/39/489748839.db2.gz CPHXZHLVRNYCJT-INIZCTEOSA-N 2 0 350.463 0.482 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)[NH+](C)C)c1 ZINC000418839121 489749066 /nfs/dbraw/zinc/74/90/66/489749066.db2.gz DBNLUMGQOIFGOZ-KEYYUXOJSA-N 2 0 362.474 0.623 20 0 FCADRP CC[NH2+]CC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430593302 489749035 /nfs/dbraw/zinc/74/90/35/489749035.db2.gz ORYMBZACRLOYMW-UHFFFAOYSA-N 2 0 360.506 0.837 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000418838023 489749191 /nfs/dbraw/zinc/74/91/91/489749191.db2.gz UWGZHZHKIDKKQQ-GUYCJALGSA-N 2 0 352.504 0.973 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)[NH+](C)C)c1 ZINC000418838565 489749320 /nfs/dbraw/zinc/74/93/20/489749320.db2.gz CELAVAGKXBIOOX-VBQJREDUSA-N 2 0 362.474 0.610 20 0 FCADRP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600326 489750194 /nfs/dbraw/zinc/75/01/94/489750194.db2.gz HLVXVYYIGDZFCE-ZFWWWQNUSA-N 2 0 364.515 0.808 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000418839636 489750565 /nfs/dbraw/zinc/75/05/65/489750565.db2.gz DAIGZRPAPXEYFU-BPUTZDHNSA-N 2 0 350.507 0.951 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000418840899 489751174 /nfs/dbraw/zinc/75/11/74/489751174.db2.gz YKSPYWSETLEFHX-FUHWJXTLSA-N 2 0 374.485 0.898 20 0 FCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418841046 489751348 /nfs/dbraw/zinc/75/13/48/489751348.db2.gz GFGPOLWXMWTVSZ-KBPBESRZSA-N 2 0 366.487 0.106 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000418848349 489754621 /nfs/dbraw/zinc/75/46/21/489754621.db2.gz LHEGOOIXBLBXSZ-NXHRZFHOSA-N 2 0 360.502 0.719 20 0 FCADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618213 489755085 /nfs/dbraw/zinc/75/50/85/489755085.db2.gz RWDRFAAHMNHXAD-WBVHZDCISA-N 2 0 362.518 0.920 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000418850194 489755295 /nfs/dbraw/zinc/75/52/95/489755295.db2.gz DWHZMHQEHJPAMQ-YJBOKZPZSA-N 2 0 374.485 0.769 20 0 FCADRP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620866 489756078 /nfs/dbraw/zinc/75/60/78/489756078.db2.gz IKIQKWQGZQREMQ-HOCLYGCPSA-N 2 0 364.465 0.960 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000430623526 489756142 /nfs/dbraw/zinc/75/61/42/489756142.db2.gz HBVWXPGFDPBLMB-INIZCTEOSA-N 2 0 358.486 0.621 20 0 FCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000418851076 489756384 /nfs/dbraw/zinc/75/63/84/489756384.db2.gz PADLJYDCYFXUQN-KRWDZBQOSA-N 2 0 374.485 0.817 20 0 FCADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430627941 489757298 /nfs/dbraw/zinc/75/72/98/489757298.db2.gz OAXUROXWZRYFIU-GOSISDBHSA-N 2 0 358.486 0.755 20 0 FCADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626995 489757635 /nfs/dbraw/zinc/75/76/35/489757635.db2.gz LPHMBEUTJFDROA-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430624956 489757754 /nfs/dbraw/zinc/75/77/54/489757754.db2.gz JPVXGATYFNCYQC-INIZCTEOSA-N 2 0 362.474 0.488 20 0 FCADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430627942 489757998 /nfs/dbraw/zinc/75/79/98/489757998.db2.gz OAXUROXWZRYFIU-SFHVURJKSA-N 2 0 358.486 0.755 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000418855426 489759216 /nfs/dbraw/zinc/75/92/16/489759216.db2.gz DHCQIIKSGONBEP-CVEARBPZSA-N 2 0 368.522 0.579 20 0 FCADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430634029 489759514 /nfs/dbraw/zinc/75/95/14/489759514.db2.gz QRUWBDGATGYQSV-MRXNPFEDSA-N 2 0 362.474 0.277 20 0 FCADRP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430638457 489759983 /nfs/dbraw/zinc/75/99/83/489759983.db2.gz NGYWKHVJCQSQGW-LBPRGKRZSA-N 2 0 366.487 0.282 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000418859724 489761454 /nfs/dbraw/zinc/76/14/54/489761454.db2.gz BFTNLKMNWWPRON-OFLPRAFFSA-N 2 0 350.507 0.999 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418861140 489762412 /nfs/dbraw/zinc/76/24/12/489762412.db2.gz MQTJVJYTGRMFEH-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+](C)C)c1 ZINC000418860756 489762551 /nfs/dbraw/zinc/76/25/51/489762551.db2.gz MFQUZSOWCFFGBV-JZXOWHBKSA-N 2 0 374.485 0.482 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430654683 489763067 /nfs/dbraw/zinc/76/30/67/489763067.db2.gz QQDANQGTZVVCJD-AWEZNQCLSA-N 2 0 366.437 0.108 20 0 FCADRP O=C([C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1)N1CC[NH2+]CC1 ZINC000430656717 489763330 /nfs/dbraw/zinc/76/33/30/489763330.db2.gz ULMLLXDCWVGXOX-ZDUSSCGKSA-N 2 0 361.471 0.400 20 0 FCADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663116 489764099 /nfs/dbraw/zinc/76/40/99/489764099.db2.gz JRPXROVLBJGORW-KBPBESRZSA-N 2 0 367.494 0.143 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000418866526 489764623 /nfs/dbraw/zinc/76/46/23/489764623.db2.gz NEYJJDOLTDQQBB-JCYILVPMSA-N 2 0 366.506 0.250 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418865337 489764902 /nfs/dbraw/zinc/76/49/02/489764902.db2.gz RKLGGUKUUVFWHH-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[NH+](C)C)c1 ZINC000418867212 489766105 /nfs/dbraw/zinc/76/61/05/489766105.db2.gz UQLTYMZHKOEIGI-CPUCHLNUSA-N 2 0 362.474 0.623 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000418867965 489766238 /nfs/dbraw/zinc/76/62/38/489766238.db2.gz VKCCHZTYRYWZSV-KGLIPLIRSA-N 2 0 350.488 0.808 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418869754 489766476 /nfs/dbraw/zinc/76/64/76/489766476.db2.gz XHQQKBHAXLUZNV-DLBZAZTESA-N 2 0 362.474 0.073 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000418874527 489769105 /nfs/dbraw/zinc/76/91/05/489769105.db2.gz ZYVWTTYIAWOXNA-HOTGVXAUSA-N 2 0 368.522 0.498 20 0 FCADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000418875037 489770012 /nfs/dbraw/zinc/77/00/12/489770012.db2.gz CLGOKYFARRKBAG-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000418877354 489771061 /nfs/dbraw/zinc/77/10/61/489771061.db2.gz OLRQJPDYRVPHNZ-WBVHZDCISA-N 2 0 360.458 0.426 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418877446 489771519 /nfs/dbraw/zinc/77/15/19/489771519.db2.gz IYEKTAUQENFMGN-BZUAXINKSA-N 2 0 354.495 0.332 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418879949 489771916 /nfs/dbraw/zinc/77/19/16/489771916.db2.gz OFWMGQWICXTCLM-JKSUJKDBSA-N 2 0 356.511 0.435 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418881707 489773785 /nfs/dbraw/zinc/77/37/85/489773785.db2.gz RNLUPBUESNESPF-UXLLHSPISA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000459870237 489775220 /nfs/dbraw/zinc/77/52/20/489775220.db2.gz QZDZYNRWGKBYOO-SFHVURJKSA-N 2 0 364.534 0.977 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]21 ZINC000459869882 489775812 /nfs/dbraw/zinc/77/58/12/489775812.db2.gz VNPREHHCXDMUEQ-ZBFHGGJFSA-N 2 0 362.499 0.555 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000490640956 489777979 /nfs/dbraw/zinc/77/79/79/489777979.db2.gz OBMPFDKYWTUUSW-HOTGVXAUSA-N 2 0 356.511 0.584 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000459885554 489780870 /nfs/dbraw/zinc/78/08/70/489780870.db2.gz MEDGOWMLUHBXOI-MOPGFXCFSA-N 2 0 370.497 0.883 20 0 FCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000431005886 489783835 /nfs/dbraw/zinc/78/38/35/489783835.db2.gz PJJKGIQYIWKINZ-OAHLLOKOSA-N 2 0 352.483 0.598 20 0 FCADRP O=C(COC1C[NH2+]C1)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000431004833 489784163 /nfs/dbraw/zinc/78/41/63/489784163.db2.gz KMFYFQBKDCSEGR-UHFFFAOYSA-N 2 0 360.502 0.689 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C[NH3+])C1 ZINC000418906895 489785220 /nfs/dbraw/zinc/78/52/20/489785220.db2.gz WUYCSXLSPOCGSU-JKSUJKDBSA-N 2 0 368.522 0.722 20 0 FCADRP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431015199 489785638 /nfs/dbraw/zinc/78/56/38/489785638.db2.gz SCVRONWZKUOYKK-UHFFFAOYSA-N 2 0 352.460 0.348 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459910122 489788713 /nfs/dbraw/zinc/78/87/13/489788713.db2.gz SDSLLEKOBZVATO-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000418929725 489794095 /nfs/dbraw/zinc/79/40/95/489794095.db2.gz WYMKGCCBZTUIBC-INIZCTEOSA-N 2 0 366.506 0.062 20 0 FCADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000418928692 489794399 /nfs/dbraw/zinc/79/43/99/489794399.db2.gz VGMJCLIDQDGDRK-QGZVFWFLSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418932172 489795165 /nfs/dbraw/zinc/79/51/65/489795165.db2.gz GAHHLWZIMZCDPH-IBGZPJMESA-N 2 0 350.507 0.971 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000459923720 489795518 /nfs/dbraw/zinc/79/55/18/489795518.db2.gz UCVBJVOQOZSLDS-KRWDZBQOSA-N 2 0 366.506 0.111 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000418939049 489797595 /nfs/dbraw/zinc/79/75/95/489797595.db2.gz QJHWBFRAMSTTIX-DLBZAZTESA-N 2 0 368.522 0.724 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418952948 489802682 /nfs/dbraw/zinc/80/26/82/489802682.db2.gz ZBWUFHBULBTOEV-RCCFBDPRSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000418955611 489803800 /nfs/dbraw/zinc/80/38/00/489803800.db2.gz XZJMDZNRMSLZHW-NJAFHUGGSA-N 2 0 358.486 0.691 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418966246 489806460 /nfs/dbraw/zinc/80/64/60/489806460.db2.gz QCBQLRSRWHHDHM-KRWDZBQOSA-N 2 0 374.485 0.727 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459997184 489813135 /nfs/dbraw/zinc/81/31/35/489813135.db2.gz SIZNQBWBISPAKX-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419000398 489813191 /nfs/dbraw/zinc/81/31/91/489813191.db2.gz OHXOTGWVLLEQMT-HOTGVXAUSA-N 2 0 354.495 0.189 20 0 FCADRP C[N@H+](CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000419003656 489814441 /nfs/dbraw/zinc/81/44/41/489814441.db2.gz QQSVDVMTLQIPOQ-ZWKOTPCHSA-N 2 0 358.486 0.693 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419009440 489816322 /nfs/dbraw/zinc/81/63/22/489816322.db2.gz NFMZAFLGOQEQOB-KRWDZBQOSA-N 2 0 362.474 0.249 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419015874 489818752 /nfs/dbraw/zinc/81/87/52/489818752.db2.gz FJJIJAMQNXWAPM-MSOLQXFVSA-N 2 0 358.486 0.822 20 0 FCADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419023177 489821770 /nfs/dbraw/zinc/82/17/70/489821770.db2.gz VXMYXWUSTYQENQ-MOPGFXCFSA-N 2 0 370.497 0.967 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419027230 489823329 /nfs/dbraw/zinc/82/33/29/489823329.db2.gz ODJVJCQPXSAXPK-BZUAXINKSA-N 2 0 368.522 0.354 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419027284 489823369 /nfs/dbraw/zinc/82/33/69/489823369.db2.gz OIUMDPDXZDWRKQ-JYJNAYRXSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000563976882 491281406 /nfs/dbraw/zinc/28/14/06/491281406.db2.gz PXRHWNAMEVABTM-RKTXRCNFSA-N 2 0 359.474 0.631 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419031129 489825591 /nfs/dbraw/zinc/82/55/91/489825591.db2.gz ILDHVWMERZVYMX-HNNXBMFYSA-N 2 0 368.547 0.804 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419032479 489826289 /nfs/dbraw/zinc/82/62/89/489826289.db2.gz WSLLEYCRXWPPQK-YVSFHVDLSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419032627 489826388 /nfs/dbraw/zinc/82/63/88/489826388.db2.gz KDKCFVQMVXCLSF-UHFFFAOYSA-N 2 0 356.536 0.580 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419031979 489826467 /nfs/dbraw/zinc/82/64/67/489826467.db2.gz VXBHULWHPPHBRB-CYJAXWMASA-N 2 0 352.523 0.975 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419034032 489827036 /nfs/dbraw/zinc/82/70/36/489827036.db2.gz YYIVQSXTFXNRSP-LSDHHAIUSA-N 2 0 354.495 0.108 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419037013 489828545 /nfs/dbraw/zinc/82/85/45/489828545.db2.gz QCZXJTCYOUMSTH-AWEZNQCLSA-N 2 0 354.520 0.332 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419037523 489829442 /nfs/dbraw/zinc/82/94/42/489829442.db2.gz DCEMTFZFIPPXLN-NVXWUHKLSA-N 2 0 368.522 0.626 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419043469 489831948 /nfs/dbraw/zinc/83/19/48/489831948.db2.gz REDDMEOMNCSGNW-BRWVUGGUSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1CCCCCC1 ZINC000432523445 489845029 /nfs/dbraw/zinc/84/50/29/489845029.db2.gz NHHJYLUXLGCFFK-GOSISDBHSA-N 2 0 354.539 0.757 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419073857 489846300 /nfs/dbraw/zinc/84/63/00/489846300.db2.gz CXUKXUBKWHPTPE-PMPSAXMXSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)[C@@H](C)C[NH2+]1 ZINC000419076175 489847603 /nfs/dbraw/zinc/84/76/03/489847603.db2.gz NUIFNBMPHPGANW-DVOMOZLQSA-N 2 0 373.432 0.974 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920181 491283024 /nfs/dbraw/zinc/28/30/24/491283024.db2.gz CIPGXKFQQMOQDV-IRXDYDNUSA-N 2 0 369.554 0.221 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000419110364 489858696 /nfs/dbraw/zinc/85/86/96/489858696.db2.gz NUFWADQZFMOTLN-STQMWFEESA-N 2 0 350.438 0.712 20 0 FCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419110406 489858746 /nfs/dbraw/zinc/85/87/46/489858746.db2.gz NWSDMFQHYPWENY-JSGCOSHPSA-N 2 0 350.438 0.699 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1F ZINC000419116555 489862647 /nfs/dbraw/zinc/86/26/47/489862647.db2.gz URRARORUVITSKI-HNNXBMFYSA-N 2 0 350.438 0.762 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000433163008 489869941 /nfs/dbraw/zinc/86/99/41/489869941.db2.gz WRZHDVNNNGWPCO-SFHVURJKSA-N 2 0 352.523 0.903 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)cc1F ZINC000555941983 491284731 /nfs/dbraw/zinc/28/47/31/491284731.db2.gz KIFVUFHCMDXEMR-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993326 489875883 /nfs/dbraw/zinc/87/58/83/489875883.db2.gz FBRGOAMOFKOWJA-NXHRZFHOSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993317 489875979 /nfs/dbraw/zinc/87/59/79/489875979.db2.gz FBRGOAMOFKOWJA-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420008658 489879681 /nfs/dbraw/zinc/87/96/81/489879681.db2.gz DNGWVHBMILYCCH-INIZCTEOSA-N 2 0 352.454 0.815 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000420008577 489879940 /nfs/dbraw/zinc/87/99/40/489879940.db2.gz UPGSAIRCYBMDID-UZLBHIALSA-N 2 0 358.486 0.965 20 0 FCADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000433373816 489879968 /nfs/dbraw/zinc/87/99/68/489879968.db2.gz LCUFIBPYTPKUID-FHWLQOOXSA-N 2 0 357.502 0.923 20 0 FCADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019205 489882131 /nfs/dbraw/zinc/88/21/31/489882131.db2.gz ZXDAUMISLZTCQQ-PVAVHDDUSA-N 2 0 367.538 0.245 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433420890 489882651 /nfs/dbraw/zinc/88/26/51/489882651.db2.gz GZHQMYHGRDRXHR-GJZGRUSLSA-N 2 0 350.467 0.289 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420021825 489883454 /nfs/dbraw/zinc/88/34/54/489883454.db2.gz IRZFSHQSHQYTIK-KKUMJFAQSA-N 2 0 354.495 0.188 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420023538 489883912 /nfs/dbraw/zinc/88/39/12/489883912.db2.gz APYFMTBDZPXELU-RRFJBIMHSA-N 2 0 354.495 0.310 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420022941 489884283 /nfs/dbraw/zinc/88/42/83/489884283.db2.gz AGFWBYJSAQUYAS-MRXNPFEDSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420031973 489887430 /nfs/dbraw/zinc/88/74/30/489887430.db2.gz HOHWXTJHDKRHIW-RRFJBIMHSA-N 2 0 352.479 0.160 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420052639 489894467 /nfs/dbraw/zinc/89/44/67/489894467.db2.gz FWFWUGUUQOSOFE-CABCVRRESA-N 2 0 368.522 0.796 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420052642 489894664 /nfs/dbraw/zinc/89/46/64/489894664.db2.gz FWFWUGUUQOSOFE-GJZGRUSLSA-N 2 0 368.522 0.796 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420066650 489901361 /nfs/dbraw/zinc/90/13/61/489901361.db2.gz RPHQKGBOESPDND-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420067700 489901543 /nfs/dbraw/zinc/90/15/43/489901543.db2.gz SUNITWAHYTWIPI-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420068733 489902709 /nfs/dbraw/zinc/90/27/09/489902709.db2.gz VBLQJQSQZLXYDY-MRXNPFEDSA-N 2 0 350.438 0.569 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420075478 489904564 /nfs/dbraw/zinc/90/45/64/489904564.db2.gz SPEYWCPZMZQPMT-INIZCTEOSA-N 2 0 350.463 0.804 20 0 FCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420074841 489904741 /nfs/dbraw/zinc/90/47/41/489904741.db2.gz ZYWVEKNNQHHFMG-SJORKVTESA-N 2 0 366.506 0.191 20 0 FCADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000461387884 489907084 /nfs/dbraw/zinc/90/70/84/489907084.db2.gz SYTWFLOAQFOUSX-PMACEKPBSA-N 2 0 364.486 0.853 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)o1 ZINC000420101710 489912060 /nfs/dbraw/zinc/91/20/60/489912060.db2.gz MCTPIMWPRBWDCW-IBGZPJMESA-N 2 0 364.490 0.984 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420112358 489916682 /nfs/dbraw/zinc/91/66/82/489916682.db2.gz ATUPKFPMJDTVDJ-HZPDHXFCSA-N 2 0 367.538 0.247 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)CC1 ZINC000420114760 489917233 /nfs/dbraw/zinc/91/72/33/489917233.db2.gz JPYRGHXIYJAOST-MNAZLIDISA-N 2 0 350.507 0.824 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[NH2+]C1 ZINC000420127630 489921578 /nfs/dbraw/zinc/92/15/78/489921578.db2.gz TTZNRTXGQRFIRV-IBGZPJMESA-N 2 0 366.506 0.063 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132891 489924377 /nfs/dbraw/zinc/92/43/77/489924377.db2.gz SQPXQLRQPJCLBP-HIFRSBDPSA-N 2 0 352.504 0.895 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)o1 ZINC000420141249 489928450 /nfs/dbraw/zinc/92/84/50/489928450.db2.gz ZBSPHNOFSFWSLL-HIFRSBDPSA-N 2 0 350.463 0.735 20 0 FCADRP CCN1CCN(CCOCCN2CCN(CC)C(=O)[C@H]2C)[C@H](C)C1=O ZINC000495256794 489933503 /nfs/dbraw/zinc/93/35/03/489933503.db2.gz UKUFTBWXVBJOPV-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420167684 489938140 /nfs/dbraw/zinc/93/81/40/489938140.db2.gz PPQYOFVMZMYKOP-INIZCTEOSA-N 2 0 368.522 0.186 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000477073974 489939849 /nfs/dbraw/zinc/93/98/49/489939849.db2.gz VZZKDRQNSJRWQP-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000420178045 489942338 /nfs/dbraw/zinc/94/23/38/489942338.db2.gz SYNYXWNDYKIWQZ-BZUAXINKSA-N 2 0 368.522 0.496 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000420187461 489944972 /nfs/dbraw/zinc/94/49/72/489944972.db2.gz RJQYUFNLNALNFN-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(F)c1 ZINC000420187390 489945359 /nfs/dbraw/zinc/94/53/59/489945359.db2.gz DHOZNTWGAOFHOY-DAXOMENPSA-N 2 0 350.438 0.788 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000420188189 489945790 /nfs/dbraw/zinc/94/57/90/489945790.db2.gz CLANSDGSCFBPKV-DLBZAZTESA-N 2 0 366.506 0.062 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420197099 489948588 /nfs/dbraw/zinc/94/85/88/489948588.db2.gz LGEGIWSBHKPXRL-PBHICJAKSA-N 2 0 364.465 0.960 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420198978 489949194 /nfs/dbraw/zinc/94/91/94/489949194.db2.gz CSGQMSXAJSGWSI-HRCADAONSA-N 2 0 362.474 0.674 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420198981 489949658 /nfs/dbraw/zinc/94/96/58/489949658.db2.gz CSGQMSXAJSGWSI-OWCLPIDISA-N 2 0 362.474 0.674 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000462005615 489949965 /nfs/dbraw/zinc/94/99/65/489949965.db2.gz DEEGHYVBQCEHCA-ROUUACIJSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH2+]C[C@@H]1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000420305587 489961245 /nfs/dbraw/zinc/96/12/45/489961245.db2.gz ZAQXJNQHLSIKED-INIZCTEOSA-N 2 0 359.474 0.904 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335486 489964502 /nfs/dbraw/zinc/96/45/02/489964502.db2.gz VARKIGSUCHJCBR-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H](O)C[NH3+] ZINC000420354496 489967257 /nfs/dbraw/zinc/96/72/57/489967257.db2.gz OLFAQNXKCYFJRH-PBHICJAKSA-N 2 0 368.909 0.845 20 0 FCADRP Cc1cccc(CN2CCN(C(=O)C[NH+]3CCC(O)(C[NH3+])CC3)CC2)c1 ZINC000420408456 489972528 /nfs/dbraw/zinc/97/25/28/489972528.db2.gz WCCLMRHZFUQJJR-UHFFFAOYSA-N 2 0 360.502 0.425 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000420411377 489973676 /nfs/dbraw/zinc/97/36/76/489973676.db2.gz BVVQWIHKXHJIJX-WFASDCNBSA-N 2 0 357.524 0.728 20 0 FCADRP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000462409290 489974392 /nfs/dbraw/zinc/97/43/92/489974392.db2.gz RJQIJHLGEXSXRP-IBGZPJMESA-N 2 0 364.534 0.823 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H](C)CO1 ZINC000462471685 489977506 /nfs/dbraw/zinc/97/75/06/489977506.db2.gz WPGRURPHFGBYQJ-HZPDHXFCSA-N 2 0 364.556 0.546 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420447386 489978078 /nfs/dbraw/zinc/97/80/78/489978078.db2.gz IUHBFVQNECFBFJ-WFASDCNBSA-N 2 0 357.524 0.809 20 0 FCADRP COC(=O)C1(c2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2)CC1 ZINC000420450406 489978966 /nfs/dbraw/zinc/97/89/66/489978966.db2.gz HBLVLOCLRVNRBL-UHFFFAOYSA-N 2 0 369.487 0.580 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000420455075 489979853 /nfs/dbraw/zinc/97/98/53/489979853.db2.gz MDTHDPOKJRDUAG-UHFFFAOYSA-N 2 0 351.476 0.620 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477639157 489979947 /nfs/dbraw/zinc/97/99/47/489979947.db2.gz DVWDIJHYJAIKGX-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420464833 489981224 /nfs/dbraw/zinc/98/12/24/489981224.db2.gz YEZCPGVTAFQWIC-UHFFFAOYSA-N 2 0 357.476 0.778 20 0 FCADRP COC(=O)CCCN1CCC([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000462786111 489992555 /nfs/dbraw/zinc/99/25/55/489992555.db2.gz UUCLGRRRMJFQHL-KRWDZBQOSA-N 2 0 354.539 0.877 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000478686388 490031616 /nfs/dbraw/zinc/03/16/16/490031616.db2.gz IUOFJKLJWYJAEB-KRWDZBQOSA-N 2 0 361.490 0.091 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973307 490034606 /nfs/dbraw/zinc/03/46/06/490034606.db2.gz YUWQNSPDXAHITC-HUUCEWRRSA-N 2 0 351.499 0.934 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973306 490035010 /nfs/dbraw/zinc/03/50/10/490035010.db2.gz YUWQNSPDXAHITC-GJZGRUSLSA-N 2 0 351.499 0.934 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000478794116 490037663 /nfs/dbraw/zinc/03/76/63/490037663.db2.gz HGYZPKYFMUDJLO-JKSUJKDBSA-N 2 0 355.527 0.109 20 0 FCADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)N(C)CC(=O)OC)CC2)CC1 ZINC000420977404 490038799 /nfs/dbraw/zinc/03/87/99/490038799.db2.gz IBEUSDIYOLLVLM-UHFFFAOYSA-N 2 0 368.522 0.500 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000478963596 490056722 /nfs/dbraw/zinc/05/67/22/490056722.db2.gz VZOLBAWFZBRGRY-IRXDYDNUSA-N 2 0 360.506 0.883 20 0 FCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289398 491298329 /nfs/dbraw/zinc/29/83/29/491298329.db2.gz ABOVFFAXAPSWJZ-ICSRJNTNSA-N 2 0 361.534 0.886 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000465035573 490075969 /nfs/dbraw/zinc/07/59/69/490075969.db2.gz LTOJIUZEMIOYRG-QGZVFWFLSA-N 3 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000465035572 490076340 /nfs/dbraw/zinc/07/63/40/490076340.db2.gz LTOJIUZEMIOYRG-KRWDZBQOSA-N 3 0 368.522 0.498 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)o1 ZINC000571394917 491304508 /nfs/dbraw/zinc/30/45/08/491304508.db2.gz YRJDUNMGYYEBNO-OAHLLOKOSA-N 2 0 350.463 0.676 20 0 FCADRP CN(C[C@H]1CCC[NH+]1C)C(=O)COCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704359 490100119 /nfs/dbraw/zinc/10/01/19/490100119.db2.gz ONVJOJNPFVUNIT-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000421726793 490101988 /nfs/dbraw/zinc/10/19/88/490101988.db2.gz RYMCWCLGZSDDLA-KVULBXGLSA-N 2 0 356.536 0.529 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000571307343 491299775 /nfs/dbraw/zinc/29/97/75/491299775.db2.gz WCSKQQUEVFYVDU-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP NS(=O)(=O)c1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000479685155 490114265 /nfs/dbraw/zinc/11/42/65/490114265.db2.gz JKLNWAPDLITXEP-UHFFFAOYSA-N 2 0 352.504 0.846 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000520216844 490117062 /nfs/dbraw/zinc/11/70/62/490117062.db2.gz MSJUZJJHCBAZJZ-RCCFBDPRSA-N 2 0 362.518 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000520216841 490117107 /nfs/dbraw/zinc/11/71/07/490117107.db2.gz MSJUZJJHCBAZJZ-FGTMMUONSA-N 2 0 362.518 0.920 20 0 FCADRP Cn1c2ncn(CC[N@H+](CCC[NH3+])Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000479774882 490123091 /nfs/dbraw/zinc/12/30/91/490123091.db2.gz GLWZPOVYMWZPSI-UHFFFAOYSA-N 2 0 370.457 0.285 20 0 FCADRP C[C@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000379674821 490125732 /nfs/dbraw/zinc/12/57/32/490125732.db2.gz VKZGNGVWLXJEAD-WBVHZDCISA-N 2 0 355.504 0.805 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCCN1CCSCC1)C(C)(C)C ZINC000479886241 490132087 /nfs/dbraw/zinc/13/20/87/490132087.db2.gz JGRGFLAKIHCECB-AWEZNQCLSA-N 2 0 358.552 0.634 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000520377445 490140918 /nfs/dbraw/zinc/14/09/18/490140918.db2.gz LTHWMTWTLWCMBV-CABCVRRESA-N 2 0 368.865 0.245 20 0 FCADRP NS(=O)(=O)c1ccc(OCC[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000391671569 490144946 /nfs/dbraw/zinc/14/49/46/490144946.db2.gz IBIQSVHNFZXMBK-UHFFFAOYSA-N 2 0 357.476 0.543 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927917 490152366 /nfs/dbraw/zinc/15/23/66/490152366.db2.gz GEXAJRVJUBBNBW-HNNXBMFYSA-N 2 0 367.494 0.193 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000532997211 490155277 /nfs/dbraw/zinc/15/52/77/490155277.db2.gz KEJIKAVRGQNJJC-UHFFFAOYSA-N 2 0 364.494 0.716 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465960086 490158065 /nfs/dbraw/zinc/15/80/65/490158065.db2.gz SMLHFBSJVZNHJJ-INIZCTEOSA-N 2 0 355.527 0.803 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000520550293 490162565 /nfs/dbraw/zinc/16/25/65/490162565.db2.gz BQLZYZDNSLFYNS-YHUYYLMFSA-N 2 0 350.507 0.537 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000466130779 490168396 /nfs/dbraw/zinc/16/83/96/490168396.db2.gz JBZHZGSLGLTKPC-ZWKOTPCHSA-N 2 0 369.554 0.262 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000520726513 490183970 /nfs/dbraw/zinc/18/39/70/490183970.db2.gz UMXYTEITIFIILN-MSOLQXFVSA-N 2 0 366.554 0.044 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770597 490186540 /nfs/dbraw/zinc/18/65/40/490186540.db2.gz JSMUVPLTLLUKPA-QZTJIDSGSA-N 2 0 373.501 0.750 20 0 FCADRP CN(C)S(=O)(=O)n1ccnc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000520784337 490189767 /nfs/dbraw/zinc/18/97/67/490189767.db2.gz GFTIBZOGHVTZFN-UHFFFAOYSA-N 2 0 374.555 0.243 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NC(COC)COC)CC2)CC1 ZINC000422200212 490201323 /nfs/dbraw/zinc/20/13/23/490201323.db2.gz CDQBCKHUSUCVPE-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP CC1CC[NH+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000520980439 490210787 /nfs/dbraw/zinc/21/07/87/490210787.db2.gz FIXFYPVQDHTVQJ-UHFFFAOYSA-N 2 0 367.538 0.960 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603727 490215779 /nfs/dbraw/zinc/21/57/79/490215779.db2.gz APVUMJYAYKPYEQ-MJGOQNOKSA-N 2 0 354.539 0.877 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000480621127 490217684 /nfs/dbraw/zinc/21/76/84/490217684.db2.gz IWGOTJPCRGBIQI-OAHLLOKOSA-N 2 0 357.520 0.815 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422273875 490220081 /nfs/dbraw/zinc/22/00/81/490220081.db2.gz WYJFMSIRNDFYCL-OAHLLOKOSA-N 2 0 364.515 0.991 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000521070736 490221886 /nfs/dbraw/zinc/22/18/86/490221886.db2.gz GSCOBVDBKIHRMZ-RRFJBIMHSA-N 2 0 354.495 0.452 20 0 FCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497852648 490223682 /nfs/dbraw/zinc/22/36/82/490223682.db2.gz KVCQMPDNNWOGQX-BRWVUGGUSA-N 2 0 365.522 0.842 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000556363071 491311856 /nfs/dbraw/zinc/31/18/56/491311856.db2.gz SASKFLRXNADZGZ-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000422330523 490262431 /nfs/dbraw/zinc/26/24/31/490262431.db2.gz BXIIMEMGPXYGRS-MRXNPFEDSA-N 2 0 367.538 0.070 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000498220565 490273930 /nfs/dbraw/zinc/27/39/30/490273930.db2.gz ZGTRMXVJQZMHFB-INIZCTEOSA-N 2 0 359.536 0.863 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000422374025 490285508 /nfs/dbraw/zinc/28/55/08/490285508.db2.gz GSHUJQHQCRFRNW-QGZVFWFLSA-N 2 0 364.465 0.926 20 0 FCADRP CCc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000521650849 490285592 /nfs/dbraw/zinc/28/55/92/490285592.db2.gz FMSUJXRWPXSFDW-UHFFFAOYSA-N 2 0 354.520 0.879 20 0 FCADRP C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447919339 490294378 /nfs/dbraw/zinc/29/43/78/490294378.db2.gz DSZMEIXXGSXEAR-KANFNMMFSA-N 2 0 361.486 0.895 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000422426801 490311563 /nfs/dbraw/zinc/31/15/63/490311563.db2.gz BVIUHFZYOFQRQD-GOSISDBHSA-N 2 0 360.502 0.960 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000483433123 490316580 /nfs/dbraw/zinc/31/65/80/490316580.db2.gz XVOCNAQZPXQVKN-HZPDHXFCSA-N 2 0 368.522 0.545 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000467704134 490331713 /nfs/dbraw/zinc/33/17/13/490331713.db2.gz HKWSVQNKJOZGHK-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000564652324 491318367 /nfs/dbraw/zinc/31/83/67/491318367.db2.gz XTNWJFZQSSEADX-MUYFXNHWSA-N 2 0 355.523 0.944 20 0 FCADRP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000534266498 490338625 /nfs/dbraw/zinc/33/86/25/490338625.db2.gz HMIQVQXONDDSAQ-QBPKDAKJSA-N 2 0 350.507 0.539 20 0 FCADRP CNc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000467795248 490340395 /nfs/dbraw/zinc/34/03/95/490340395.db2.gz MGHBYXKPOPFRHJ-GASCZTMLSA-N 2 0 362.526 0.396 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626683 491319429 /nfs/dbraw/zinc/31/94/29/491319429.db2.gz PTIVKCAAKRNEHB-MHORFTMASA-N 2 0 356.470 0.683 20 0 FCADRP CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000522186843 490352127 /nfs/dbraw/zinc/35/21/27/490352127.db2.gz AQDRGXAIDXIQIU-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000422488434 490353522 /nfs/dbraw/zinc/35/35/22/490353522.db2.gz NBJQGEQTKHWOTB-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000522309425 490370582 /nfs/dbraw/zinc/37/05/82/490370582.db2.gz NCUGTBZCLNSMNQ-HOCLYGCPSA-N 2 0 351.495 0.465 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000571662637 491321859 /nfs/dbraw/zinc/32/18/59/491321859.db2.gz WMJAQQROMGSKAZ-QAPCUYQASA-N 2 0 370.563 0.921 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CCCC1 ZINC000564717800 491322268 /nfs/dbraw/zinc/32/22/68/491322268.db2.gz ABWQTYGBLHLYQE-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CC(=O)C[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000468344988 490391652 /nfs/dbraw/zinc/39/16/52/490391652.db2.gz ZJEQVLDGWFTNAK-DJIMGWMZSA-N 2 0 368.522 0.258 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571690903 491323425 /nfs/dbraw/zinc/32/34/25/491323425.db2.gz IRNLLSNHKCZQNP-INIZCTEOSA-N 2 0 353.511 0.700 20 0 FCADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)COCC(=O)OC)cn2)CC1 ZINC000449083659 490401433 /nfs/dbraw/zinc/40/14/33/490401433.db2.gz UYVNFAWQUAZXTF-OAHLLOKOSA-N 2 0 350.463 0.891 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000499340573 490414863 /nfs/dbraw/zinc/41/48/63/490414863.db2.gz HBPZLAUQLGLQDC-GJZGRUSLSA-N 2 0 354.495 0.155 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000509485794 490432067 /nfs/dbraw/zinc/43/20/67/490432067.db2.gz CEGGIYGOIMEQOA-INIZCTEOSA-N 2 0 355.527 0.912 20 0 FCADRP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+](C)C2)[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000449849565 490432306 /nfs/dbraw/zinc/43/23/06/490432306.db2.gz NVIBVUDGTZUIQJ-CWQOZTLDSA-N 2 0 364.534 0.689 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535007804 490434739 /nfs/dbraw/zinc/43/47/39/490434739.db2.gz NMLIFYNPRMNPIL-QRVBRYPASA-N 2 0 363.550 0.393 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564785800 491326159 /nfs/dbraw/zinc/32/61/59/491326159.db2.gz SICJMBMPDFJHOE-IRXDYDNUSA-N 2 0 365.522 0.714 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571745544 491326593 /nfs/dbraw/zinc/32/65/93/491326593.db2.gz ZZFJOSNXTQHTLJ-RBUKOAKNSA-N 2 0 357.502 0.950 20 0 FCADRP C[C@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422709329 490462426 /nfs/dbraw/zinc/46/24/26/490462426.db2.gz KIRYKPCMIHCQRL-OAHLLOKOSA-N 2 0 355.508 0.250 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422708283 490462787 /nfs/dbraw/zinc/46/27/87/490462787.db2.gz IUTHDQUOVCPURZ-HUUCEWRRSA-N 2 0 355.508 0.249 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN(CC)S(C)(=O)=O)CC[NH2+]CC1 ZINC000422713886 490464466 /nfs/dbraw/zinc/46/44/66/490464466.db2.gz KLNAKYYDYBIZEU-CQSZACIVSA-N 2 0 363.524 0.569 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000564842440 491330297 /nfs/dbraw/zinc/33/02/97/491330297.db2.gz HIIJGEJXDPBHQM-IXDOHACOSA-N 2 0 364.494 0.213 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804354 491330514 /nfs/dbraw/zinc/33/05/14/491330514.db2.gz OMXZTDSTRXFUMH-RDJZCZTQSA-N 2 0 350.507 0.633 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889595 490491238 /nfs/dbraw/zinc/49/12/38/490491238.db2.gz PWVRGZGSXPPRJE-CABCVRRESA-N 2 0 354.495 0.237 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980860 490509815 /nfs/dbraw/zinc/50/98/15/490509815.db2.gz RJTSYJVQQSBJOC-CADBVGFASA-N 2 0 361.486 0.753 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500420750 490513192 /nfs/dbraw/zinc/51/31/92/490513192.db2.gz DUNNPVYJIUBWJK-GJZGRUSLSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC000500420751 490513913 /nfs/dbraw/zinc/51/39/13/490513913.db2.gz DUNNPVYJIUBWJK-HUUCEWRRSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500472933 490521826 /nfs/dbraw/zinc/52/18/26/490521826.db2.gz YKQQBWNZJOUPMY-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP COc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000564894701 491333836 /nfs/dbraw/zinc/33/38/36/491333836.db2.gz PYXUCWDWBLFVSA-ZWKOTPCHSA-N 2 0 374.485 0.817 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423058769 490531350 /nfs/dbraw/zinc/53/13/50/490531350.db2.gz DBFSJMDBSCTCHT-SJORKVTESA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423056195 490531393 /nfs/dbraw/zinc/53/13/93/490531393.db2.gz FMXAMLXYSVDSAB-DNVCBOLYSA-N 2 0 350.507 0.907 20 0 FCADRP CCN(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423058243 490532356 /nfs/dbraw/zinc/53/23/56/490532356.db2.gz JAKLCZGLEUBHDS-SJLPKXTDSA-N 2 0 358.486 0.930 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423055544 490532408 /nfs/dbraw/zinc/53/24/08/490532408.db2.gz DDYZQNAPINWTQD-MSOLQXFVSA-N 2 0 358.486 0.917 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423061876 490533618 /nfs/dbraw/zinc/53/36/18/490533618.db2.gz RRYASFUVUVXZIY-CEXWTWQISA-N 2 0 370.497 0.787 20 0 FCADRP CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423062629 490533860 /nfs/dbraw/zinc/53/38/60/490533860.db2.gz UOLGZDMNSDDYMZ-QZTJIDSGSA-N 2 0 374.485 0.296 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063670 490534127 /nfs/dbraw/zinc/53/41/27/490534127.db2.gz XCFAVCCVUXONEE-GUDVDZBRSA-N 2 0 370.497 0.787 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485511011 490537116 /nfs/dbraw/zinc/53/71/16/490537116.db2.gz XVKFHAOQTIFKRF-UHFFFAOYSA-N 2 0 354.495 0.202 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000524465282 490540070 /nfs/dbraw/zinc/54/00/70/490540070.db2.gz QBQQGQKXUSWIKJ-OAHLLOKOSA-N 2 0 351.495 0.465 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000485541822 490541240 /nfs/dbraw/zinc/54/12/40/490541240.db2.gz ZOXADSKHXSDUHD-KRWDZBQOSA-N 2 0 358.486 0.835 20 0 FCADRP CCC[C@@H]1CN(C(=O)NCCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC000500762423 490549473 /nfs/dbraw/zinc/54/94/73/490549473.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 0 356.511 0.849 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063752 490557740 /nfs/dbraw/zinc/55/77/40/490557740.db2.gz IKUZTUJXWMKCTE-HOTGVXAUSA-N 2 0 374.551 0.142 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@H](C)C2)CC1=O ZINC000524775071 490559053 /nfs/dbraw/zinc/55/90/53/490559053.db2.gz OPVKVPMXPHTFRL-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000485805222 490560506 /nfs/dbraw/zinc/56/05/06/490560506.db2.gz LBWMBHMRYFOBGF-OAGGEKHMSA-N 2 0 364.494 0.822 20 0 FCADRP CCOC(=O)C(C)(C)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000556771795 491336008 /nfs/dbraw/zinc/33/60/08/491336008.db2.gz IRNYBLPMQQFKLZ-OAHLLOKOSA-N 2 0 367.490 0.977 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485819467 490561252 /nfs/dbraw/zinc/56/12/52/490561252.db2.gz MMOWAZLHBNNLSF-MRXNPFEDSA-N 2 0 363.510 0.350 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000536225302 490562639 /nfs/dbraw/zinc/56/26/39/490562639.db2.gz JONKEZCUTCNCMD-UHFFFAOYSA-N 3 0 356.559 0.147 20 0 FCADRP C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000536233601 490563721 /nfs/dbraw/zinc/56/37/21/490563721.db2.gz VNLZRBQZXSVHMZ-KRWDZBQOSA-N 2 0 368.570 0.195 20 0 FCADRP CCC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000486034611 490586495 /nfs/dbraw/zinc/58/64/95/490586495.db2.gz GTMFXCOLYZTVRE-FIDHJVLJSA-N 2 0 352.523 0.783 20 0 FCADRP CCC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486034614 490586587 /nfs/dbraw/zinc/58/65/87/490586587.db2.gz GTMFXCOLYZTVRE-UTSKFRMZSA-N 2 0 352.523 0.783 20 0 FCADRP CNc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000549601505 490591955 /nfs/dbraw/zinc/59/19/55/490591955.db2.gz LXHWNDYFTAYVPZ-NMWPEEMBSA-N 2 0 362.526 0.393 20 0 FCADRP [NH3+]Cc1ccc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000564935614 491338303 /nfs/dbraw/zinc/33/83/03/491338303.db2.gz FEBBMSIZVHTQSR-UHFFFAOYSA-N 2 0 361.490 0.937 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549785829 490604279 /nfs/dbraw/zinc/60/42/79/490604279.db2.gz PRWJYJPVHDSTRU-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000486326639 490610690 /nfs/dbraw/zinc/61/06/90/490610690.db2.gz NWWQYJPXXKLHFO-LSDHHAIUSA-N 2 0 362.478 0.125 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000549874966 490613406 /nfs/dbraw/zinc/61/34/06/490613406.db2.gz XHFQHDLDZVLASK-UHFFFAOYSA-N 2 0 356.511 0.448 20 0 FCADRP C[C@@H]1CC(=O)N[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000549930616 490614179 /nfs/dbraw/zinc/61/41/79/490614179.db2.gz OBDMGLXVJBAKNT-RDJZCZTQSA-N 2 0 359.474 0.625 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365760 490615006 /nfs/dbraw/zinc/61/50/06/490615006.db2.gz LBMSZGYOFSZGEL-KZNAEPCWSA-N 2 0 352.523 0.438 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000550003181 490619101 /nfs/dbraw/zinc/61/91/01/490619101.db2.gz WIPZESXVLKTWOI-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501591619 490620917 /nfs/dbraw/zinc/62/09/17/490620917.db2.gz VEFOFLQDENBVOM-MRXNPFEDSA-N 2 0 366.506 0.158 20 0 FCADRP CNC(=O)c1ccc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000571989624 491340955 /nfs/dbraw/zinc/34/09/55/491340955.db2.gz ATPQQPPFPUFVRY-UHFFFAOYSA-N 2 0 370.519 0.301 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000550102677 490625080 /nfs/dbraw/zinc/62/50/80/490625080.db2.gz AJFNGDBQKYIVFO-HZPDHXFCSA-N 2 0 350.507 0.966 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000550121594 490626928 /nfs/dbraw/zinc/62/69/28/490626928.db2.gz NBUBPAMCIQENFH-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1[NH+](C)C ZINC000501632857 490628069 /nfs/dbraw/zinc/62/80/69/490628069.db2.gz BJDKZQFWKXDWBJ-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645984 490630977 /nfs/dbraw/zinc/63/09/77/490630977.db2.gz MVKHMZJKRPNDNY-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@@H](C[NH3+])C1 ZINC000564970564 491341724 /nfs/dbraw/zinc/34/17/24/491341724.db2.gz MCFCRPYVCPRTSI-HUUCEWRRSA-N 2 0 373.523 0.188 20 0 FCADRP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000486492490 490639614 /nfs/dbraw/zinc/63/96/14/490639614.db2.gz DTUHZQAGUIXKNX-DBDOFBCQSA-N 2 0 368.522 0.019 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)NC)nc1 ZINC000486578486 490647630 /nfs/dbraw/zinc/64/76/30/490647630.db2.gz IBPZNCGMKGUNKP-MRXNPFEDSA-N 2 0 361.490 0.929 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550319225 490658972 /nfs/dbraw/zinc/65/89/72/490658972.db2.gz JIMXSINVOLKIOP-KRWDZBQOSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512216030 490665342 /nfs/dbraw/zinc/66/53/42/490665342.db2.gz ABDZBQBHXLNQJT-SFHVURJKSA-N 2 0 369.554 0.550 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074334 490674761 /nfs/dbraw/zinc/67/47/61/490674761.db2.gz JPLRWXWHVAMVFE-ZDUSSCGKSA-N 2 0 366.428 0.930 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557011342 491349296 /nfs/dbraw/zinc/34/92/96/491349296.db2.gz DNTBKVZFWQQYCG-INIZCTEOSA-N 2 0 371.485 0.767 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011948 491349368 /nfs/dbraw/zinc/34/93/68/491349368.db2.gz QFXWCBVFSQVGBI-NVXWUHKLSA-N 2 0 362.449 0.898 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487671687 490724567 /nfs/dbraw/zinc/72/45/67/490724567.db2.gz GRQDWROGCIWXCC-IRXDYDNUSA-N 2 0 356.511 0.632 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000557036109 491350116 /nfs/dbraw/zinc/35/01/16/491350116.db2.gz WINIZNYNZCWJMQ-HUUCEWRRSA-N 2 0 360.458 0.763 20 0 FCADRP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487710392 490727182 /nfs/dbraw/zinc/72/71/82/490727182.db2.gz QPLJBGLRWZWKOU-ICUGJSFKSA-N 2 0 366.550 0.981 20 0 FCADRP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487710393 490727298 /nfs/dbraw/zinc/72/72/98/490727298.db2.gz QPLJBGLRWZWKOU-ILOCAZANSA-N 2 0 366.550 0.981 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483859 490734233 /nfs/dbraw/zinc/73/42/33/490734233.db2.gz LZNAEISOCFZKCW-HZPDHXFCSA-N 2 0 370.538 0.648 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000488249198 490751898 /nfs/dbraw/zinc/75/18/98/490751898.db2.gz KIKFXZRHFIKXPX-OAHLLOKOSA-N 2 0 356.536 0.483 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210874 490766340 /nfs/dbraw/zinc/76/63/40/490766340.db2.gz KQYAPGASFDZWAW-ROUUACIJSA-N 3 0 354.539 0.877 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851629 490778561 /nfs/dbraw/zinc/77/85/61/490778561.db2.gz JIZKLBNKFNMNQP-BSDSXHPESA-N 2 0 351.539 0.994 20 0 FCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000514663065 490779272 /nfs/dbraw/zinc/77/92/72/490779272.db2.gz OEHPLQILDOQWBN-HNNXBMFYSA-N 2 0 361.490 0.847 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000514788292 490788135 /nfs/dbraw/zinc/78/81/35/490788135.db2.gz HWOPHPDEIDHVMT-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000557132707 491355842 /nfs/dbraw/zinc/35/58/42/491355842.db2.gz CMTMQMYSNUKZBF-INIZCTEOSA-N 2 0 356.511 0.260 20 0 FCADRP COC[C@@]1(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000514934632 490798611 /nfs/dbraw/zinc/79/86/11/490798611.db2.gz LSYQGMYQLLVEJT-OAQYLSRUSA-N 2 0 374.529 0.889 20 0 FCADRP CN1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154451 491357032 /nfs/dbraw/zinc/35/70/32/491357032.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 2 0 359.518 0.835 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000515118222 490809468 /nfs/dbraw/zinc/80/94/68/490809468.db2.gz GDUTWVUFDUVQKQ-UHFFFAOYSA-N 2 0 367.519 0.912 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000515187272 490812501 /nfs/dbraw/zinc/81/25/01/490812501.db2.gz VXVCBSCAVMISSI-DLBZAZTESA-N 2 0 373.501 0.121 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1-c1ccccc1 ZINC000504924137 490814634 /nfs/dbraw/zinc/81/46/34/490814634.db2.gz NKMWBDDELFQKHN-HXUWFJFHSA-N 2 0 371.485 0.908 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000515342114 490819934 /nfs/dbraw/zinc/81/99/34/490819934.db2.gz VPZAELAQGVMYLH-UHFFFAOYSA-N 2 0 365.453 0.331 20 0 FCADRP [NH3+]CC1(CC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCCC1 ZINC000557169151 491357956 /nfs/dbraw/zinc/35/79/56/491357956.db2.gz YHGKQNWOOSLPOZ-MRXNPFEDSA-N 2 0 350.507 0.956 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783091 490839739 /nfs/dbraw/zinc/83/97/39/490839739.db2.gz ISBUYSDVJZSPHG-IAGOWNOFSA-N 2 0 368.522 0.356 20 0 FCADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529331276 490853887 /nfs/dbraw/zinc/85/38/87/490853887.db2.gz PARVTPUFKWTENL-UHFFFAOYSA-N 2 0 371.445 0.187 20 0 FCADRP O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000516173824 490854655 /nfs/dbraw/zinc/85/46/55/490854655.db2.gz ALKCXVPRPQWKQT-ZWKOTPCHSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000541243393 490855922 /nfs/dbraw/zinc/85/59/22/490855922.db2.gz GSSYNPHEDIUMHB-QYZOEREBSA-N 2 0 366.550 0.972 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000529374287 490857009 /nfs/dbraw/zinc/85/70/09/490857009.db2.gz DXPQCXRGWVAICY-KURKYZTESA-N 2 0 362.474 0.157 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000529374873 490857967 /nfs/dbraw/zinc/85/79/67/490857967.db2.gz OQNDBPBESNRZPN-KRWDZBQOSA-N 2 0 362.474 0.901 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000516786820 490878200 /nfs/dbraw/zinc/87/82/00/490878200.db2.gz GWNLHDQRJPFNHR-OAGGEKHMSA-N 2 0 351.495 0.452 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000516797557 490878627 /nfs/dbraw/zinc/87/86/27/490878627.db2.gz FVEAWTCZPHHQRX-OAHLLOKOSA-N 2 0 356.511 0.138 20 0 FCADRP O=C1NC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1=O ZINC000517016034 490891185 /nfs/dbraw/zinc/89/11/85/490891185.db2.gz QUUOOVBNLNKUGI-SFHVURJKSA-N 2 0 356.470 0.815 20 0 FCADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000517225270 490899958 /nfs/dbraw/zinc/89/99/58/490899958.db2.gz SJJONWMQXXCMII-HZPDHXFCSA-N 2 0 351.495 0.230 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000542607724 490901989 /nfs/dbraw/zinc/90/19/89/490901989.db2.gz MAGFZMREMVKLIA-ROUUACIJSA-N 2 0 353.555 0.497 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517573276 490913105 /nfs/dbraw/zinc/91/31/05/490913105.db2.gz WPMDWOVKJWDDEF-OKZBNKHCSA-N 2 0 370.538 0.878 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000530565469 490913164 /nfs/dbraw/zinc/91/31/64/490913164.db2.gz IBKNXKJAXGRCAI-OAHLLOKOSA-N 2 0 374.489 0.182 20 0 FCADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000517732411 490918335 /nfs/dbraw/zinc/91/83/35/490918335.db2.gz FPKXCYNUFZSHSD-KRWDZBQOSA-N 2 0 364.490 0.480 20 0 FCADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530679680 490919154 /nfs/dbraw/zinc/91/91/54/490919154.db2.gz YEVJJIIQHQDLND-CTNGQTDRSA-N 2 0 373.497 0.804 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777984 490923734 /nfs/dbraw/zinc/92/37/34/490923734.db2.gz CBOAICNRADNPBT-ROUUACIJSA-N 2 0 372.579 0.758 20 0 FCADRP COC(=O)c1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cn1C ZINC000518254288 490935046 /nfs/dbraw/zinc/93/50/46/490935046.db2.gz YAMOVHRONJPATD-UHFFFAOYSA-N 2 0 350.463 0.702 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000565252988 491365786 /nfs/dbraw/zinc/36/57/86/491365786.db2.gz GNSUTALWUFPLPN-ZWKOTPCHSA-N 2 0 358.486 0.630 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000543750916 490944899 /nfs/dbraw/zinc/94/48/99/490944899.db2.gz ILAZHLACKKYJGD-MRXNPFEDSA-N 2 0 365.522 0.832 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797897 490952362 /nfs/dbraw/zinc/95/23/62/490952362.db2.gz YGJZUMCIWSPKEF-SJORKVTESA-N 2 0 363.506 0.737 20 0 FCADRP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357912 490953532 /nfs/dbraw/zinc/95/35/32/490953532.db2.gz PHIJTZNYPITMOC-CQSZACIVSA-N 2 0 374.489 0.633 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000519438147 490972250 /nfs/dbraw/zinc/97/22/50/490972250.db2.gz LZBZMSOEINBSEQ-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000519567621 490977223 /nfs/dbraw/zinc/97/72/23/490977223.db2.gz MEQZICNPKFBIRX-BFYDXBDKSA-N 2 0 366.506 0.297 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000519652803 490982353 /nfs/dbraw/zinc/98/23/53/490982353.db2.gz QTUGCATZNHQAQN-RDJZCZTQSA-N 2 0 359.474 0.373 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000519690936 490984288 /nfs/dbraw/zinc/98/42/88/490984288.db2.gz PTNHFOVNPKKDGQ-ZFWWWQNUSA-N 2 0 372.477 0.712 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000532264886 490990028 /nfs/dbraw/zinc/99/00/28/490990028.db2.gz ZMXJSEQJRGMULI-ULQDDVLXSA-N 2 0 354.495 0.384 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000553904471 491163258 /nfs/dbraw/zinc/16/32/58/491163258.db2.gz ZHRMWPZXRIAWLE-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000562451123 491166666 /nfs/dbraw/zinc/16/66/66/491166666.db2.gz IQJLFOXWAKIIKR-UHFFFAOYSA-N 2 0 359.478 1.284 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCCC1 ZINC000569697880 491182665 /nfs/dbraw/zinc/18/26/65/491182665.db2.gz KUKYVESUJQSIRA-HNNXBMFYSA-N 2 0 351.495 0.501 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000562743306 491186286 /nfs/dbraw/zinc/18/62/86/491186286.db2.gz DUMLXUUZSPWQHZ-GASCZTMLSA-N 2 0 374.485 0.886 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372206 491372659 /nfs/dbraw/zinc/37/26/59/491372659.db2.gz JADKKFSOYBGPCR-JKSUJKDBSA-N 2 0 351.495 0.596 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000557422466 491373983 /nfs/dbraw/zinc/37/39/83/491373983.db2.gz XFMXKHWSDIOTLU-YESZJQIVSA-N 2 0 368.522 0.593 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000557485791 491376831 /nfs/dbraw/zinc/37/68/31/491376831.db2.gz MFOSLZFAFHCPFJ-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000557501886 491379246 /nfs/dbraw/zinc/37/92/46/491379246.db2.gz VPCHSWCLOCCQIX-GOEBONIOSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540226 491383478 /nfs/dbraw/zinc/38/34/78/491383478.db2.gz MTCRJODAVWWSGM-DOTOQJQBSA-N 2 0 374.485 0.390 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000565609151 491389095 /nfs/dbraw/zinc/38/90/95/491389095.db2.gz SJDAMAKAJLUGRF-OALUTQOASA-N 2 0 360.502 0.640 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000565615495 491389243 /nfs/dbraw/zinc/38/92/43/491389243.db2.gz FYHYJVCXVBQQDN-HZPDHXFCSA-N 2 0 356.511 0.450 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754109 491397760 /nfs/dbraw/zinc/39/77/60/491397760.db2.gz VKLJMMNGRHGRII-CEXWTWQISA-N 2 0 356.555 0.416 20 0 FCADRP Cc1csc([C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000557805331 491398881 /nfs/dbraw/zinc/39/88/81/491398881.db2.gz PZRJTIGOYFANQV-ZDUSSCGKSA-N 2 0 369.535 0.623 20 0 FCADRP CC[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000565968198 491409874 /nfs/dbraw/zinc/40/98/74/491409874.db2.gz CLOPFPOOHFJFQI-HOTGVXAUSA-N 2 0 368.522 0.233 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(F)c1 ZINC000566057680 491414918 /nfs/dbraw/zinc/41/49/18/491414918.db2.gz GUCXXKTYCPBPTC-HNNXBMFYSA-N 2 0 351.426 0.159 20 0 FCADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000573221456 491420382 /nfs/dbraw/zinc/42/03/82/491420382.db2.gz DCEFHOYGWUSCGT-LAQRGFTBSA-N 2 0 373.501 0.940 20 0 FCADRP CC(=O)NCCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000566149595 491420808 /nfs/dbraw/zinc/42/08/08/491420808.db2.gz JPDKJSUMBAISJG-UHFFFAOYSA-N 2 0 362.478 0.371 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](C)CC1 ZINC000566181302 491423784 /nfs/dbraw/zinc/42/37/84/491423784.db2.gz RMGCAFJLWWBTSS-WBVHZDCISA-N 2 0 363.510 0.032 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373078 493342354 /nfs/dbraw/zinc/34/23/54/493342354.db2.gz YBKLACKYESBEIP-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000573429787 491432750 /nfs/dbraw/zinc/43/27/50/491432750.db2.gz YVXOWZMMESGZJM-INIZCTEOSA-N 2 0 351.495 0.326 20 0 FCADRP CC(C)Nc1nc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000558609014 491438328 /nfs/dbraw/zinc/43/83/28/491438328.db2.gz DVJXVFZJZIUBLC-GDBMZVCRSA-N 2 0 373.505 0.465 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000566396747 491440695 /nfs/dbraw/zinc/44/06/95/491440695.db2.gz BVQKIRDTTWWPMM-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP CCC[NH+]1CCN(c2ccccc2CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566491665 491448065 /nfs/dbraw/zinc/44/80/65/491448065.db2.gz WBZYRZBAQAJDTQ-MOPGFXCFSA-N 2 0 371.529 0.962 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H](C[NH+](C)C)C3)n3ncnc3n2)C1 ZINC000558939143 491449170 /nfs/dbraw/zinc/44/91/70/491449170.db2.gz UEVLBCHMQOSJBE-HOTGVXAUSA-N 2 0 372.521 0.900 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000573822467 491457282 /nfs/dbraw/zinc/45/72/82/491457282.db2.gz NIWTUGSQQVQUCN-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000559319852 491464037 /nfs/dbraw/zinc/46/40/37/491464037.db2.gz CPSBQKRFRGTSCZ-UHFFFAOYSA-N 2 0 368.909 0.951 20 0 FCADRP CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000566739716 491464409 /nfs/dbraw/zinc/46/44/09/491464409.db2.gz IJSZTSWTFIAVRI-HRCADAONSA-N 2 0 351.495 0.319 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752078 491465188 /nfs/dbraw/zinc/46/51/88/491465188.db2.gz ADCOYRQBDKHHDI-BBWFWOEESA-N 2 0 368.522 0.308 20 0 FCADRP COC[C@]1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000574036602 491470245 /nfs/dbraw/zinc/47/02/45/491470245.db2.gz RWRQHZYBDKOWRI-NRFANRHFSA-N 2 0 374.529 0.937 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000559439701 491472799 /nfs/dbraw/zinc/47/27/99/491472799.db2.gz MDDGZFBTNXGRGJ-ARFHVFGLSA-N 2 0 354.495 0.058 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000559460431 491475382 /nfs/dbraw/zinc/47/53/82/491475382.db2.gz BBQXMVHJXPCIRH-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)C1 ZINC000574150766 491477372 /nfs/dbraw/zinc/47/73/72/491477372.db2.gz GAPROAOESGNZDY-OALUTQOASA-N 2 0 371.485 0.731 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000566956863 491477415 /nfs/dbraw/zinc/47/74/15/491477415.db2.gz MYIHPOXIESOZCN-ZWKOTPCHSA-N 2 0 373.501 0.824 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccc1Cl ZINC000559584746 491482724 /nfs/dbraw/zinc/48/27/24/491482724.db2.gz FEZLEFKGERJSGX-UHFFFAOYSA-N 2 0 368.909 0.951 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000574285497 491486712 /nfs/dbraw/zinc/48/67/12/491486712.db2.gz IEAFUYQPTRRHSF-KRWDZBQOSA-N 2 0 350.507 0.764 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000574285499 491486734 /nfs/dbraw/zinc/48/67/34/491486734.db2.gz IEAFUYQPTRRHSF-QGZVFWFLSA-N 2 0 350.507 0.764 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000574321460 491488956 /nfs/dbraw/zinc/48/89/56/491488956.db2.gz FHETUTCNODJBSW-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000574328523 491489325 /nfs/dbraw/zinc/48/93/25/491489325.db2.gz RTVJTIKMPYGGTK-LJQANCHMSA-N 2 0 359.518 0.527 20 0 FCADRP CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCCC1 ZINC000567250580 491494751 /nfs/dbraw/zinc/49/47/51/491494751.db2.gz PKGMCOFXFBMHMS-ULQDDVLXSA-N 2 0 365.522 0.840 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CC[NH+](C)CC1 ZINC000559751826 491495928 /nfs/dbraw/zinc/49/59/28/491495928.db2.gz CJHUVUWMBIYXAZ-KBXCAEBGSA-N 2 0 366.531 0.937 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000559762455 491497683 /nfs/dbraw/zinc/49/76/83/491497683.db2.gz GCMRZZQBJDXFLM-BBWFWOEESA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585406 491506827 /nfs/dbraw/zinc/50/68/27/491506827.db2.gz VLJANOFPMLVLKD-RCCFBDPRSA-N 2 0 356.470 0.812 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868683 491506873 /nfs/dbraw/zinc/50/68/73/491506873.db2.gz TUQQWBPKODZGEE-QAPCUYQASA-N 2 0 368.547 0.484 20 0 FCADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567481335 491508842 /nfs/dbraw/zinc/50/88/42/491508842.db2.gz OQXRUJPURQOZHX-IKGGRYGDSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488053 491509368 /nfs/dbraw/zinc/50/93/68/491509368.db2.gz DNCJJRASMHPVFF-NXHRZFHOSA-N 2 0 373.501 0.850 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529278 491512103 /nfs/dbraw/zinc/51/21/03/491512103.db2.gz LXHLNYATNWMCSX-YJBOKZPZSA-N 2 0 370.563 0.778 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015475 491514702 /nfs/dbraw/zinc/51/47/02/491514702.db2.gz NMYGKZBVPGQOOX-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000567594398 491516218 /nfs/dbraw/zinc/51/62/18/491516218.db2.gz TURJDYGKHIQXFJ-QZTJIDSGSA-N 2 0 372.517 0.974 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560027867 491516530 /nfs/dbraw/zinc/51/65/30/491516530.db2.gz MOJZQRSGUUKVGD-IRXDYDNUSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000574763010 491518805 /nfs/dbraw/zinc/51/88/05/491518805.db2.gz FNKXCPPUAGBOFG-UHFFFAOYSA-N 2 0 367.538 0.106 20 0 FCADRP CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000574792634 491520641 /nfs/dbraw/zinc/52/06/41/491520641.db2.gz BNJYEMSRZSUCLO-KDOFPFPSSA-N 2 0 356.511 0.258 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000567714310 491524774 /nfs/dbraw/zinc/52/47/74/491524774.db2.gz VYMUSACDKNTITL-ZWKOTPCHSA-N 2 0 372.517 0.974 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567735716 491525886 /nfs/dbraw/zinc/52/58/86/491525886.db2.gz QREKHGNARIOBHR-OKZBNKHCSA-N 2 0 358.486 0.950 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000575119132 491540216 /nfs/dbraw/zinc/54/02/16/491540216.db2.gz DZFORHCOKAODRD-FRQCXROJSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000567994181 491545694 /nfs/dbraw/zinc/54/56/94/491545694.db2.gz FOFQAZVTXGWVRP-UHFFFAOYSA-N 2 0 352.523 0.413 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC12CCC2 ZINC000560637395 491548093 /nfs/dbraw/zinc/54/80/93/491548093.db2.gz DGLPTVCZTUZWBL-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000560667846 491551547 /nfs/dbraw/zinc/55/15/47/491551547.db2.gz WFXNRZLNYHRNAW-MRXNPFEDSA-N 2 0 350.507 0.918 20 0 FCADRP CSC1(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000575378604 491551887 /nfs/dbraw/zinc/55/18/87/491551887.db2.gz ZFTURHSYYSCSAO-HNNXBMFYSA-N 2 0 357.568 0.749 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000560732909 491554283 /nfs/dbraw/zinc/55/42/83/491554283.db2.gz MAHQCLQPUNKLLF-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000560793822 491558109 /nfs/dbraw/zinc/55/81/09/491558109.db2.gz QNFGODVCKSHSQI-SJORKVTESA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000575780413 491560623 /nfs/dbraw/zinc/56/06/23/491560623.db2.gz BAUZNNKWSIGNDT-QGZVFWFLSA-N 2 0 373.501 0.724 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000575820482 491563337 /nfs/dbraw/zinc/56/33/37/491563337.db2.gz BVGVZORJGOYAEZ-BRWVUGGUSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000568287736 491566997 /nfs/dbraw/zinc/56/69/97/491566997.db2.gz IABVNEVCSSTKSI-IXDOHACOSA-N 2 0 359.474 0.763 20 0 FCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000575898680 491568613 /nfs/dbraw/zinc/56/86/13/491568613.db2.gz YFBMXCLGVFHMTQ-ZWKOTPCHSA-N 2 0 362.474 0.565 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000575901177 491568887 /nfs/dbraw/zinc/56/88/87/491568887.db2.gz CSXKYXCBHZSLJK-HNNXBMFYSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000575916463 491569553 /nfs/dbraw/zinc/56/95/53/491569553.db2.gz IXWSNIYWECGHMI-LZWOXQAQSA-N 2 0 356.488 0.650 20 0 FCADRP Cc1c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cccc1S(=O)(=O)N(C)C ZINC000561034458 491571498 /nfs/dbraw/zinc/57/14/98/491571498.db2.gz HTUVGOGMLMHTQQ-CYBMUJFWSA-N 2 0 369.491 0.352 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000568373557 491572271 /nfs/dbraw/zinc/57/22/71/491572271.db2.gz FZMVBOXZEJVIJZ-QXSJWSMHSA-N 2 0 350.507 0.809 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000568384150 491573090 /nfs/dbraw/zinc/57/30/90/491573090.db2.gz YLAKLTIHAOYMDD-MRXNPFEDSA-N 2 0 374.485 0.259 20 0 FCADRP C[NH+]1CCN(Cc2cccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000575985013 491573732 /nfs/dbraw/zinc/57/37/32/491573732.db2.gz WEMQNBGCVWCHSQ-QGZVFWFLSA-N 2 0 359.474 0.241 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]1 ZINC000576015606 491576343 /nfs/dbraw/zinc/57/63/43/491576343.db2.gz ALEGNCJLLUUHIM-DOMZBBRYSA-N 2 0 352.866 0.879 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000561121469 491576619 /nfs/dbraw/zinc/57/66/19/491576619.db2.gz MYDLNUBLDIHZLX-DOTOQJQBSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576044287 491578003 /nfs/dbraw/zinc/57/80/03/491578003.db2.gz NZYGNCUDYKSAJE-KZNAEPCWSA-N 2 0 372.517 0.835 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000584410944 491588291 /nfs/dbraw/zinc/58/82/91/491588291.db2.gz ZATJLDAYGIJCLK-SJORKVTESA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425255 491590068 /nfs/dbraw/zinc/59/00/68/491590068.db2.gz ONERPFWIXPHBLW-HZPDHXFCSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000576399791 491611453 /nfs/dbraw/zinc/61/14/53/491611453.db2.gz PZJRIFDQWVIZPY-LSDHHAIUSA-N 2 0 373.900 0.828 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412662 491620202 /nfs/dbraw/zinc/62/02/02/491620202.db2.gz VOUICTIBILAPNW-ALGCZIBLSA-N 2 0 361.490 0.093 20 0 FCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000568984874 491624186 /nfs/dbraw/zinc/62/41/86/491624186.db2.gz XJPVXSZNZTYNGX-HZPDHXFCSA-N 2 0 367.538 0.245 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000561677331 491624895 /nfs/dbraw/zinc/62/48/95/491624895.db2.gz VQZILEQNDMPMLD-INIZCTEOSA-N 2 0 368.522 0.593 20 0 FCADRP NC(=O)NC(=O)CC[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000577485246 491625568 /nfs/dbraw/zinc/62/55/68/491625568.db2.gz PZBRBZOQASPIQH-UHFFFAOYSA-N 2 0 361.490 0.759 20 0 FCADRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)CC1 ZINC000577488247 491625657 /nfs/dbraw/zinc/62/56/57/491625657.db2.gz SUJRMARPIMQWOI-UHFFFAOYSA-N 2 0 372.579 0.904 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000673673330 493356057 /nfs/dbraw/zinc/35/60/57/493356057.db2.gz UUVURULLRKOWIU-SFHVURJKSA-N 2 0 352.523 0.630 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000576681903 491635273 /nfs/dbraw/zinc/63/52/73/491635273.db2.gz RGPKDAAWXVZRBW-UHFFFAOYSA-N 2 0 370.457 0.784 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000569121095 491635602 /nfs/dbraw/zinc/63/56/02/491635602.db2.gz BWKDTRCMSQKNKL-KURKYZTESA-N 2 0 367.453 0.793 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000577672587 491641827 /nfs/dbraw/zinc/64/18/27/491641827.db2.gz XQKPTHMNPIOANN-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000577692726 491643265 /nfs/dbraw/zinc/64/32/65/491643265.db2.gz NJZSAIHMHCFFHG-SFHVURJKSA-N 2 0 366.506 0.335 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000577753460 491649130 /nfs/dbraw/zinc/64/91/30/491649130.db2.gz HAKMVSNDGMJPDP-LSDHHAIUSA-N 2 0 351.472 0.107 20 0 FCADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576837920 491649183 /nfs/dbraw/zinc/64/91/83/491649183.db2.gz LPEJRUYSTMTROC-SWLSCSKDSA-N 2 0 356.426 0.878 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000569349551 491654725 /nfs/dbraw/zinc/65/47/25/491654725.db2.gz LXCARGFMOKBEDS-IBGZPJMESA-N 2 0 350.507 0.777 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000569351245 491654845 /nfs/dbraw/zinc/65/48/45/491654845.db2.gz UTKCXVREBATFKV-WBVHZDCISA-N 2 0 352.479 0.335 20 0 FCADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000569377214 491657319 /nfs/dbraw/zinc/65/73/19/491657319.db2.gz RJAUWNBLAGIYNK-OAHLLOKOSA-N 2 0 361.490 0.789 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440173 491661840 /nfs/dbraw/zinc/66/18/40/491661840.db2.gz QOWVYRUJQGHTIJ-BFYDXBDKSA-N 2 0 363.506 0.323 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313961 491674474 /nfs/dbraw/zinc/67/44/74/491674474.db2.gz GXTHYDAFZRFJAI-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043265 491689898 /nfs/dbraw/zinc/68/98/98/491689898.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 2 0 368.566 0.291 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000579118914 491691436 /nfs/dbraw/zinc/69/14/36/491691436.db2.gz FNCUXKWYMLMKMW-GOSISDBHSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000579130154 491691665 /nfs/dbraw/zinc/69/16/65/491691665.db2.gz NJTNERQCIJHYGE-DLBZAZTESA-N 2 0 359.474 0.244 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000579212963 491693079 /nfs/dbraw/zinc/69/30/79/491693079.db2.gz CHKDZBYCJJJUPI-YQQAZPJKSA-N 2 0 362.474 0.198 20 0 FCADRP CC1CC[NH+](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000579210796 491693097 /nfs/dbraw/zinc/69/30/97/491693097.db2.gz XWNVNVQWBAKMQV-KRWDZBQOSA-N 2 0 365.522 0.572 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579225388 491693401 /nfs/dbraw/zinc/69/34/01/491693401.db2.gz HDUZZOOCLVOTSC-HDICACEKSA-N 2 0 356.470 0.399 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000579231514 491693635 /nfs/dbraw/zinc/69/36/35/491693635.db2.gz JAUFKRYRHHSMSI-IBGZPJMESA-N 3 0 365.566 0.546 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)Cc2ccccc2C1 ZINC000579377863 491696905 /nfs/dbraw/zinc/69/69/05/491696905.db2.gz BQPZPRJFGMGPKD-IAGOWNOFSA-N 2 0 371.485 0.039 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nccn1-c1ccccc1 ZINC000579446228 491697946 /nfs/dbraw/zinc/69/79/46/491697946.db2.gz JIYYABYYEBFKGF-UHFFFAOYSA-N 2 0 372.473 0.763 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000579456237 491698114 /nfs/dbraw/zinc/69/81/14/491698114.db2.gz HGVLIZSEQOBKRY-CABCVRRESA-N 2 0 364.494 0.461 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000579461779 491698169 /nfs/dbraw/zinc/69/81/69/491698169.db2.gz SZFIBZBTVOXRFS-UHFFFAOYSA-N 2 0 368.522 0.676 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000584580815 491708384 /nfs/dbraw/zinc/70/83/84/491708384.db2.gz OHSZONRKTLIYCG-LTIDMASMSA-N 2 0 363.506 0.228 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584793680 491714822 /nfs/dbraw/zinc/71/48/22/491714822.db2.gz RLQLKXCOAZFZOH-UBDQQSCGSA-N 2 0 371.485 0.460 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000580062706 491715560 /nfs/dbraw/zinc/71/55/60/491715560.db2.gz WBCYWYIBRSDAEX-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301672 491724797 /nfs/dbraw/zinc/72/47/97/491724797.db2.gz HBLRNPNANDPXDN-HOTGVXAUSA-N 2 0 366.506 0.012 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000580584067 491737254 /nfs/dbraw/zinc/73/72/54/491737254.db2.gz QBAILONSKZTIPL-QGZVFWFLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000580763228 491744407 /nfs/dbraw/zinc/74/44/07/491744407.db2.gz CFOBXDJGCGGHTH-DLBZAZTESA-N 2 0 365.522 0.572 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580812445 491746802 /nfs/dbraw/zinc/74/68/02/491746802.db2.gz WTXNQNXATHYUBB-UXPWSPDFSA-N 2 0 374.529 0.762 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000580861052 491749391 /nfs/dbraw/zinc/74/93/91/491749391.db2.gz RBVNYHJCEGZLEF-PMPSAXMXSA-N 2 0 350.507 0.990 20 0 FCADRP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]2C1 ZINC000580925982 491751864 /nfs/dbraw/zinc/75/18/64/491751864.db2.gz RIPHLDYCPWDBNG-OKZBNKHCSA-N 2 0 367.538 0.768 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589219134 491757701 /nfs/dbraw/zinc/75/77/01/491757701.db2.gz BRYBOQRYNJHHQT-SJORKVTESA-N 2 0 365.522 0.809 20 0 FCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000581067256 491757951 /nfs/dbraw/zinc/75/79/51/491757951.db2.gz FRJHXKTUZWJSPV-IAGOWNOFSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000660532353 493360528 /nfs/dbraw/zinc/36/05/28/493360528.db2.gz HAKUDEIFFUGGAU-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP CCO[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000581448339 491773354 /nfs/dbraw/zinc/77/33/54/491773354.db2.gz OGFQACCSCFDZKR-JKSUJKDBSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CCCO1 ZINC000581450050 491773643 /nfs/dbraw/zinc/77/36/43/491773643.db2.gz QWURERRGDAASAU-IKGGRYGDSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000581542423 491776892 /nfs/dbraw/zinc/77/68/92/491776892.db2.gz QNYHHIPGTGDVBN-KLAILNCOSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590566171 491779425 /nfs/dbraw/zinc/77/94/25/491779425.db2.gz FWDPCQINWQHXGT-GEEKYZPCSA-N 2 0 370.563 0.822 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000581613734 491779982 /nfs/dbraw/zinc/77/99/82/491779982.db2.gz UYLCJCLJGYUNPZ-CVEARBPZSA-N 2 0 350.507 0.920 20 0 FCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000581723579 491784246 /nfs/dbraw/zinc/78/42/46/491784246.db2.gz KBVDMTNUCDYNFG-IRXDYDNUSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000582067600 491796714 /nfs/dbraw/zinc/79/67/14/491796714.db2.gz APKNAIHTOMJEEN-HUUCEWRRSA-N 2 0 363.510 0.941 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C2)CC1 ZINC000582116414 491798616 /nfs/dbraw/zinc/79/86/16/491798616.db2.gz HVNYHLZVBPABCT-VSZNYVQBSA-N 2 0 362.518 0.763 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000591337992 491803155 /nfs/dbraw/zinc/80/31/55/491803155.db2.gz BXOSCCVGXCVAMB-ZDUSSCGKSA-N 2 0 352.439 0.013 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000582367547 491809566 /nfs/dbraw/zinc/80/95/66/491809566.db2.gz TVEFOTOGDUSWDL-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)COCC(=O)N(C)CC[NH+]1CCCC1 ZINC000591801326 491823780 /nfs/dbraw/zinc/82/37/80/491823780.db2.gz WGKMHXAZBZQVCA-UHFFFAOYSA-N 2 0 354.495 0.111 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000582727301 491824314 /nfs/dbraw/zinc/82/43/14/491824314.db2.gz GOJXJUBWHVOKRB-GOSISDBHSA-N 2 0 362.522 0.955 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000582779607 491826387 /nfs/dbraw/zinc/82/63/87/491826387.db2.gz DNJRJBAWFXYZSY-XMTFNYHQSA-N 2 0 356.470 0.492 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)nn1 ZINC000582902288 491831159 /nfs/dbraw/zinc/83/11/59/491831159.db2.gz IJWZZGSVSFSBER-UHFFFAOYSA-N 2 0 350.467 0.392 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932885 491833041 /nfs/dbraw/zinc/83/30/41/491833041.db2.gz WOZXQXLZACXNKB-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)(N2CCOCC2)CC1 ZINC000583074378 491837426 /nfs/dbraw/zinc/83/74/26/491837426.db2.gz MFASDBNFKJNQGN-KRWDZBQOSA-N 2 0 364.465 0.738 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000583082206 491837554 /nfs/dbraw/zinc/83/75/54/491837554.db2.gz KKLDPUNEXZMGOR-INIZCTEOSA-N 2 0 366.506 0.394 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253365 491840807 /nfs/dbraw/zinc/84/08/07/491840807.db2.gz QOZMQHSSSYHGMH-ZIAGYGMSSA-N 2 0 354.495 0.548 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000583312203 491841975 /nfs/dbraw/zinc/84/19/75/491841975.db2.gz OABDCXGACUGDST-BZUAXINKSA-N 2 0 351.495 0.452 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000583371834 491843554 /nfs/dbraw/zinc/84/35/54/491843554.db2.gz YLZULZPAQBCPSX-OAHLLOKOSA-N 2 0 350.438 0.571 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000583529220 491846769 /nfs/dbraw/zinc/84/67/69/491846769.db2.gz CJADFXPLDFSRNL-JKSUJKDBSA-N 2 0 361.490 0.798 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+](C)C1 ZINC000583552070 491847338 /nfs/dbraw/zinc/84/73/38/491847338.db2.gz CDHBBKXEAUNQMO-QZTJIDSGSA-N 2 0 374.485 0.857 20 0 FCADRP CC(=O)N1CC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000583811767 491852576 /nfs/dbraw/zinc/85/25/76/491852576.db2.gz WLNKAMHTFQZDDI-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583861793 491853394 /nfs/dbraw/zinc/85/33/94/491853394.db2.gz VUWKVJUHGJXXSO-OIDVLUPKSA-N 2 0 362.518 0.951 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000584002929 491856417 /nfs/dbraw/zinc/85/64/17/491856417.db2.gz PRXMIZQKMDPLBF-KRWDZBQOSA-N 2 0 354.564 0.958 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000584099140 491858408 /nfs/dbraw/zinc/85/84/08/491858408.db2.gz CNTNMBDVICTBHN-IAGOWNOFSA-N 2 0 350.507 0.873 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000584162307 491859660 /nfs/dbraw/zinc/85/96/60/491859660.db2.gz YPMNMEDVKAMDKJ-CVEARBPZSA-N 2 0 365.522 0.616 20 0 FCADRP C[C@@H]1CN(CCOC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@H](C)O1 ZINC000584281636 491862154 /nfs/dbraw/zinc/86/21/54/491862154.db2.gz KDHNCGOWYDBBAH-GZUVBVDASA-N 2 0 366.506 0.504 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCSC1 ZINC000584358483 491863796 /nfs/dbraw/zinc/86/37/96/491863796.db2.gz VKKYJJVUDAFAPN-SFHVURJKSA-N 2 0 370.563 0.965 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000611638910 491864564 /nfs/dbraw/zinc/86/45/64/491864564.db2.gz YFIPZKHAVFJDQL-PBHICJAKSA-N 2 0 362.518 0.966 20 0 FCADRP COC(=O)c1cnc(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)s1 ZINC000600721148 491878743 /nfs/dbraw/zinc/87/87/43/491878743.db2.gz ASFZHICDJOAGQF-UHFFFAOYSA-N 2 0 366.487 0.931 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271357 491909795 /nfs/dbraw/zinc/90/97/95/491909795.db2.gz QTQIAFXXOVLZDZ-WCXIOVBPSA-N 2 0 357.458 0.086 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612487490 491925206 /nfs/dbraw/zinc/92/52/06/491925206.db2.gz XIDBKBNAQFNRED-MRXNPFEDSA-N 2 0 356.511 0.260 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000612550960 491933326 /nfs/dbraw/zinc/93/33/26/491933326.db2.gz BSWBAUBXTVGHIE-KRWDZBQOSA-N 2 0 366.506 0.158 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612592179 491936335 /nfs/dbraw/zinc/93/63/35/491936335.db2.gz NSYYJDCVLJRVQF-HOTGVXAUSA-N 2 0 366.506 0.345 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000602530940 491992271 /nfs/dbraw/zinc/99/22/71/491992271.db2.gz XGTVRAFBUBXYCP-JHJVBQTASA-N 2 0 356.348 0.476 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604182385 492053059 /nfs/dbraw/zinc/05/30/59/492053059.db2.gz FKZZTFLQUFWPHO-MRXNPFEDSA-N 2 0 358.490 0.869 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604649520 492065698 /nfs/dbraw/zinc/06/56/98/492065698.db2.gz KEUUUUQXWBIGDT-SFHVURJKSA-N 2 0 367.538 0.424 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604646565 492065817 /nfs/dbraw/zinc/06/58/17/492065817.db2.gz YTGXBEWKMAPBBD-SJORKVTESA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000615091072 492072064 /nfs/dbraw/zinc/07/20/64/492072064.db2.gz XONGMRMRCFZPFI-JKSUJKDBSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000616489132 492134488 /nfs/dbraw/zinc/13/44/88/492134488.db2.gz NVAVRRBVZBOKHC-NJNCZSALSA-N 2 0 368.522 0.350 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000607229587 492141654 /nfs/dbraw/zinc/14/16/54/492141654.db2.gz NPERFBWTPNFEKK-UHFFFAOYSA-N 2 0 369.554 0.501 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000608690873 492187611 /nfs/dbraw/zinc/18/76/11/492187611.db2.gz OXAVQUTWGURNNA-INIZCTEOSA-N 2 0 365.522 0.844 20 0 FCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608764688 492191877 /nfs/dbraw/zinc/19/18/77/492191877.db2.gz CGVWBOIWULUFCB-NRFANRHFSA-N 2 0 374.529 0.719 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000610216443 492237160 /nfs/dbraw/zinc/23/71/60/492237160.db2.gz WKSSNFZFUASPQZ-CYBMUJFWSA-N 2 0 369.510 0.247 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)C1 ZINC000647552520 492303406 /nfs/dbraw/zinc/30/34/06/492303406.db2.gz DKDBXUDIPMQRSD-KXBFYZLASA-N 2 0 370.497 0.889 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627469649 492309241 /nfs/dbraw/zinc/30/92/41/492309241.db2.gz ATJBDFPYDGZJOW-ZWKOTPCHSA-N 2 0 374.485 0.214 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824230 492310169 /nfs/dbraw/zinc/31/01/69/492310169.db2.gz GQHFZZQOVVJVGH-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000641825686 492311067 /nfs/dbraw/zinc/31/10/67/492311067.db2.gz WARYVORCTOAQGF-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473280 492311572 /nfs/dbraw/zinc/31/15/72/492311572.db2.gz KSCKFWFHAIBYJI-ZACQAIPSSA-N 2 0 366.506 0.204 20 0 FCADRP Cc1cc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(N2CCCC2)n1 ZINC000654567698 492321346 /nfs/dbraw/zinc/32/13/46/492321346.db2.gz UVXJNYYXCPPJSC-DLBZAZTESA-N 2 0 359.474 0.951 20 0 FCADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627504760 492325717 /nfs/dbraw/zinc/32/57/17/492325717.db2.gz FKGSOHFPCHWHDM-CGTJXYLNSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1cccs1 ZINC000642080378 492332163 /nfs/dbraw/zinc/33/21/63/492332163.db2.gz QRSUYTUECCGZBC-HZSPNIEDSA-N 2 0 350.488 0.677 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647597643 492332276 /nfs/dbraw/zinc/33/22/76/492332276.db2.gz CKBZNSCFODQQRB-GJZGRUSLSA-N 2 0 354.495 0.332 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000642101812 492334758 /nfs/dbraw/zinc/33/47/58/492334758.db2.gz QWZZGWAQHIXPJZ-FGTMMUONSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642194117 492340086 /nfs/dbraw/zinc/34/00/86/492340086.db2.gz XRJJUTZKGQNQNN-CUSZFKRNSA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCCCCC1 ZINC000642220462 492342847 /nfs/dbraw/zinc/34/28/47/492342847.db2.gz HGLUQALFGKSZPA-ARFHVFGLSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000642236458 492343275 /nfs/dbraw/zinc/34/32/75/492343275.db2.gz WEHXUPWIPJBJIR-JEWRLFTDSA-N 2 0 350.507 0.966 20 0 FCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253855 492345574 /nfs/dbraw/zinc/34/55/74/492345574.db2.gz LQKZWOFCFOLUNC-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000642257952 492347026 /nfs/dbraw/zinc/34/70/26/492347026.db2.gz NNGYJWTUDMATLU-JKSUJKDBSA-N 2 0 354.495 0.333 20 0 FCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642330444 492351677 /nfs/dbraw/zinc/35/16/77/492351677.db2.gz KIEYYADTZMATMP-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000642481205 492359189 /nfs/dbraw/zinc/35/91/89/492359189.db2.gz LXACUELEDYIGEI-HNNXBMFYSA-N 2 0 362.474 0.283 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000654856098 492361277 /nfs/dbraw/zinc/36/12/77/492361277.db2.gz QJVODXQQHOBWRY-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCCCCC1 ZINC000642529977 492361694 /nfs/dbraw/zinc/36/16/94/492361694.db2.gz URLCWPWOTPURDV-IKGGRYGDSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645857 492369642 /nfs/dbraw/zinc/36/96/42/492369642.db2.gz CFPMLRSNHJKKLN-OALUTQOASA-N 2 0 372.513 0.926 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000642685011 492372635 /nfs/dbraw/zinc/37/26/35/492372635.db2.gz HFNIHGVUMBMLPL-KKUMJFAQSA-N 2 0 362.474 0.375 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000642686015 492373614 /nfs/dbraw/zinc/37/36/14/492373614.db2.gz BUIDVDYOXPDGHU-AEFFLSMTSA-N 2 0 374.485 0.454 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]1 ZINC000642705170 492375802 /nfs/dbraw/zinc/37/58/02/492375802.db2.gz BVBYHHGYDNOWEX-QGZVFWFLSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)NC1CCCC1 ZINC000647882099 492376734 /nfs/dbraw/zinc/37/67/34/492376734.db2.gz JMZSUPWFHIRXNY-UHFFFAOYSA-N 2 0 350.507 0.969 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642725989 492380572 /nfs/dbraw/zinc/38/05/72/492380572.db2.gz WDFRWBDAWPOGKA-YJBOKZPZSA-N 2 0 372.513 0.788 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000642731682 492381497 /nfs/dbraw/zinc/38/14/97/492381497.db2.gz JHLRCVHPEIOBEV-MAZHCROVSA-N 2 0 366.437 0.119 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000647908831 492381610 /nfs/dbraw/zinc/38/16/10/492381610.db2.gz RTNZAMXTOQKHFB-UHFFFAOYSA-N 2 0 355.504 0.701 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642750923 492384706 /nfs/dbraw/zinc/38/47/06/492384706.db2.gz XPWVNNGCLNBXFK-HZPDHXFCSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642750510 492384834 /nfs/dbraw/zinc/38/48/34/492384834.db2.gz NNQXRPSBVKZUIX-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750928 492384967 /nfs/dbraw/zinc/38/49/67/492384967.db2.gz XRNJDZQGPQNDAV-OAGGEKHMSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642756698 492386386 /nfs/dbraw/zinc/38/63/86/492386386.db2.gz XFOZTAJAQUUFDE-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759538 492386811 /nfs/dbraw/zinc/38/68/11/492386811.db2.gz LLLDPJOXRNLFHO-WBVHZDCISA-N 2 0 358.486 0.963 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756642 492386951 /nfs/dbraw/zinc/38/69/51/492386951.db2.gz CXBSUFKPSIPVBX-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000647971274 492389670 /nfs/dbraw/zinc/38/96/70/492389670.db2.gz HMEFVNUSWZRYRV-KRWDZBQOSA-N 2 0 374.485 0.886 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978170 492390442 /nfs/dbraw/zinc/39/04/42/492390442.db2.gz NQYCQOSLOQNJMU-HUUCEWRRSA-N 2 0 374.489 0.145 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977115 492390626 /nfs/dbraw/zinc/39/06/26/492390626.db2.gz XYRXXKQNNADJPD-IAGOWNOFSA-N 2 0 350.507 0.827 20 0 FCADRP O=S(=O)([C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000647988752 492391755 /nfs/dbraw/zinc/39/17/55/492391755.db2.gz HLJYPWUTSYLKJF-QGZVFWFLSA-N 2 0 359.536 0.893 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642793206 492393083 /nfs/dbraw/zinc/39/30/83/492393083.db2.gz VPXUESWYBCJROW-HNNXBMFYSA-N 2 0 368.547 0.723 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000642800058 492395676 /nfs/dbraw/zinc/39/56/76/492395676.db2.gz JOOKZNMSJVKYJX-MSOLQXFVSA-N 2 0 360.502 0.993 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000642892944 492397450 /nfs/dbraw/zinc/39/74/50/492397450.db2.gz DDZSTHTYAIDXTJ-SFHVURJKSA-N 2 0 358.486 0.898 20 0 FCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000642908457 492401735 /nfs/dbraw/zinc/40/17/35/492401735.db2.gz SDGQBZRGMIOJOD-MRXNPFEDSA-N 2 0 358.486 0.965 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918534 492404132 /nfs/dbraw/zinc/40/41/32/492404132.db2.gz YCVABSQJJNSPPZ-SFHVURJKSA-N 2 0 373.501 0.763 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000642958607 492406682 /nfs/dbraw/zinc/40/66/82/492406682.db2.gz ZIQXZYGYZWPJHF-IMJJTQAJSA-N 2 0 366.506 0.406 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000621781778 492411667 /nfs/dbraw/zinc/41/16/67/492411667.db2.gz IPALKXBFHPJEAG-XLIONFOSSA-N 2 0 364.534 0.951 20 0 FCADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000648177847 492412987 /nfs/dbraw/zinc/41/29/87/492412987.db2.gz XTSIQOPPFAKPHR-DLBZAZTESA-N 2 0 361.490 0.707 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621841265 492423112 /nfs/dbraw/zinc/42/31/12/492423112.db2.gz SPQRWMWHBXAGLC-JXFKEZNVSA-N 2 0 374.485 0.583 20 0 FCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621843244 492423712 /nfs/dbraw/zinc/42/37/12/492423712.db2.gz BIFGTUADUIPDFU-WFXMLNOXSA-N 2 0 370.497 0.965 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028276 492443312 /nfs/dbraw/zinc/44/33/12/492443312.db2.gz OUUMWVWMIIBMTI-QAPCUYQASA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622029812 492444034 /nfs/dbraw/zinc/44/40/34/492444034.db2.gz LSMQMWQJNQVVOF-MDZRGWNJSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556293 492456633 /nfs/dbraw/zinc/45/66/33/492456633.db2.gz GTOAAHLPKATSIZ-ZWKOTPCHSA-N 2 0 367.538 0.517 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000655556562 492456677 /nfs/dbraw/zinc/45/66/77/492456677.db2.gz UFEZBVYMBDRHHT-QZTJIDSGSA-N 2 0 367.538 0.519 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643453486 492466812 /nfs/dbraw/zinc/46/68/12/492466812.db2.gz HCQVIMGKBOTXMA-BRWVUGGUSA-N 2 0 358.552 0.464 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000643483141 492476997 /nfs/dbraw/zinc/47/69/97/492476997.db2.gz LMJKOLNUUYDJNK-GDBMZVCRSA-N 2 0 352.479 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000643481004 492477451 /nfs/dbraw/zinc/47/74/51/492477451.db2.gz XFTILKVROKMPII-IAGOWNOFSA-N 2 0 358.486 0.930 20 0 FCADRP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000643483347 492477909 /nfs/dbraw/zinc/47/79/09/492477909.db2.gz OQIUFFCRPTZYAL-MSOLQXFVSA-N 2 0 362.518 0.921 20 0 FCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643483575 492477939 /nfs/dbraw/zinc/47/79/39/492477939.db2.gz VEAOLHVDFRZVTC-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643489793 492479547 /nfs/dbraw/zinc/47/95/47/492479547.db2.gz PZBGORSOLYJHJZ-YESZJQIVSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+]1CCC(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000655777704 492479636 /nfs/dbraw/zinc/47/96/36/492479636.db2.gz WEKNJRVIGBPJHU-LJQANCHMSA-N 2 0 366.550 0.626 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000643494594 492481448 /nfs/dbraw/zinc/48/14/48/492481448.db2.gz HRHZSGRGVSAYTH-ARFHVFGLSA-N 2 0 352.479 0.038 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000643498781 492482534 /nfs/dbraw/zinc/48/25/34/492482534.db2.gz VKCCUYJCUNIZIG-OKZBNKHCSA-N 2 0 362.518 0.921 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000643499467 492482796 /nfs/dbraw/zinc/48/27/96/492482796.db2.gz KDLJHODDEVLGAU-KURKYZTESA-N 2 0 362.518 0.635 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000643505655 492484606 /nfs/dbraw/zinc/48/46/06/492484606.db2.gz OGRBNRBNVUWYHP-YESZJQIVSA-N 2 0 350.507 0.777 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643511192 492485661 /nfs/dbraw/zinc/48/56/61/492485661.db2.gz OSAJEVNOEFEQKK-SJORKVTESA-N 2 0 368.522 0.261 20 0 FCADRP CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635668283 492489097 /nfs/dbraw/zinc/48/90/97/492489097.db2.gz ZHRFPJWDGCJNGR-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000649072781 492489845 /nfs/dbraw/zinc/48/98/45/492489845.db2.gz IRIIQRHHUFSGAG-AWEZNQCLSA-N 2 0 363.462 0.214 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643525036 492489957 /nfs/dbraw/zinc/48/99/57/492489957.db2.gz NGQZUFGSCQMPKE-BZSNNMDCSA-N 2 0 362.518 0.779 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000649072782 492490220 /nfs/dbraw/zinc/49/02/20/492490220.db2.gz IRIIQRHHUFSGAG-CQSZACIVSA-N 2 0 363.462 0.214 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000643540899 492494674 /nfs/dbraw/zinc/49/46/74/492494674.db2.gz PFYJTRGFERELRR-NUJGCVRESA-N 2 0 358.486 0.915 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643550014 492497970 /nfs/dbraw/zinc/49/79/70/492497970.db2.gz TVHDYUSKJFNZSN-VIBAHUMZSA-N 2 0 374.460 0.631 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643560031 492499053 /nfs/dbraw/zinc/49/90/53/492499053.db2.gz FRVOTMHCEBGYOB-CVEARBPZSA-N 2 0 364.515 0.849 20 0 FCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643592243 492502572 /nfs/dbraw/zinc/50/25/72/492502572.db2.gz NSXZMSQVSMEDCT-UHFFFAOYSA-N 2 0 367.453 0.718 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000643593650 492502782 /nfs/dbraw/zinc/50/27/82/492502782.db2.gz CAQFCVWAUJNEEE-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCN(c2cc(C(=O)N3CCOC4(CC[NH+](C)CC4)C3)ccn2)CC1 ZINC000649132550 492503172 /nfs/dbraw/zinc/50/31/72/492503172.db2.gz DVLBCDJDVVMQQG-UHFFFAOYSA-N 2 0 373.501 0.770 20 0 FCADRP COC(CNC(=O)[C@@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635791578 492505738 /nfs/dbraw/zinc/50/57/38/492505738.db2.gz UAUCMISZRSFSFW-HOTGVXAUSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635854304 492516011 /nfs/dbraw/zinc/51/60/11/492516011.db2.gz RVPVSQINLKHHQO-GJZGRUSLSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000649272206 492516354 /nfs/dbraw/zinc/51/63/54/492516354.db2.gz XQBSPBPIMSFMPO-UHFFFAOYSA-N 2 0 359.518 0.411 20 0 FCADRP CN(CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)C1CC1 ZINC000623136358 492518157 /nfs/dbraw/zinc/51/81/57/492518157.db2.gz ZIPPSPONIYTOEE-UHFFFAOYSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022771 492520036 /nfs/dbraw/zinc/52/00/36/492520036.db2.gz LVOQNTMOKWNGEL-BYNSBNAKSA-N 2 0 352.479 0.349 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000656022431 492520573 /nfs/dbraw/zinc/52/05/73/492520573.db2.gz GPGWBUZLEAAFAY-KBPBESRZSA-N 2 0 354.495 0.548 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656028578 492521542 /nfs/dbraw/zinc/52/15/42/492521542.db2.gz MPFQHMLVHYXOFO-IRXDYDNUSA-N 2 0 366.506 0.476 20 0 FCADRP Cc1nnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000623158264 492522222 /nfs/dbraw/zinc/52/22/22/492522222.db2.gz BOBDUWXGWFICTE-UHFFFAOYSA-N 2 0 359.434 0.785 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2(NC(=O)C3(C[NH+](C)C)CC3)CCC2)CC1 ZINC000635909408 492524871 /nfs/dbraw/zinc/52/48/71/492524871.db2.gz ZRONLDOKCWXNQX-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000628585263 492525654 /nfs/dbraw/zinc/52/56/54/492525654.db2.gz OILNFJGSYGRQAV-ROUUACIJSA-N 2 0 358.486 0.965 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@H+](C)CCc3ccccc3)CC2)C1=O ZINC000635925956 492528798 /nfs/dbraw/zinc/52/87/98/492528798.db2.gz DBVAJHMJLHPDII-LJQANCHMSA-N 2 0 372.513 0.972 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347302 492542674 /nfs/dbraw/zinc/54/26/74/492542674.db2.gz PIYXTYDHFGYBDS-CABCVRRESA-N 2 0 370.457 1.000 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347177 492543069 /nfs/dbraw/zinc/54/30/69/492543069.db2.gz JHGGPLNQXHGRBX-KGLIPLIRSA-N 2 0 356.430 0.782 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649350652 492544007 /nfs/dbraw/zinc/54/40/07/492544007.db2.gz WLCCZRFEJJLUGK-LJQANCHMSA-N 2 0 360.502 0.676 20 0 FCADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351821 492544680 /nfs/dbraw/zinc/54/46/80/492544680.db2.gz VICIUASEVLIDLP-CABCVRRESA-N 2 0 364.465 0.991 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000656084137 492545842 /nfs/dbraw/zinc/54/58/42/492545842.db2.gz VGNPEGIUUFOLBK-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000636282400 492574845 /nfs/dbraw/zinc/57/48/45/492574845.db2.gz KUDKEAOTRIZODK-IGKNDFSCSA-N 2 0 351.491 0.950 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656299093 492577851 /nfs/dbraw/zinc/57/78/51/492577851.db2.gz XAHNSNQWMGDNES-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000629168233 492582805 /nfs/dbraw/zinc/58/28/05/492582805.db2.gz KCMZHNQSHWWYET-GOSISDBHSA-N 2 0 352.523 0.366 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656320897 492591474 /nfs/dbraw/zinc/59/14/74/492591474.db2.gz XCMYJMUQXZTFAM-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H](C)O1 ZINC000636519337 492607178 /nfs/dbraw/zinc/60/71/78/492607178.db2.gz PDGZNOOKTAJZDD-OAGGEKHMSA-N 2 0 369.510 0.125 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360639 492613337 /nfs/dbraw/zinc/61/33/37/492613337.db2.gz UTTUSZMXQYQZIY-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CN1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636550209 492618758 /nfs/dbraw/zinc/61/87/58/492618758.db2.gz NMJZOOKFLJORJR-QGZVFWFLSA-N 2 0 365.522 0.857 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629788190 492671694 /nfs/dbraw/zinc/67/16/94/492671694.db2.gz NAANAKLJLNJLDL-CHWSQXEVSA-N 2 0 364.412 0.526 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000629786395 492671772 /nfs/dbraw/zinc/67/17/72/492671772.db2.gz BGMVCTWVBRYFKR-UHFFFAOYSA-N 2 0 362.474 0.155 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629787251 492671973 /nfs/dbraw/zinc/67/19/73/492671973.db2.gz ATVNUNOPZDKFPG-NWDGAFQWSA-N 2 0 352.401 0.382 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000629793991 492674225 /nfs/dbraw/zinc/67/42/25/492674225.db2.gz NSHOWYDNHTTYEJ-UHFFFAOYSA-N 2 0 361.490 0.354 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629796786 492676514 /nfs/dbraw/zinc/67/65/14/492676514.db2.gz SNBOSQKXSZABFW-XQQFMLRXSA-N 2 0 364.412 0.525 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC2)CC1 ZINC000629796789 492676579 /nfs/dbraw/zinc/67/65/79/492676579.db2.gz LZXUHDLFCPTOQX-UHFFFAOYSA-N 2 0 354.495 0.143 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629801990 492679974 /nfs/dbraw/zinc/67/99/74/492679974.db2.gz QKRRZGZRWUHIKE-CHWSQXEVSA-N 2 0 366.428 0.771 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629802775 492680708 /nfs/dbraw/zinc/68/07/08/492680708.db2.gz PTGXWFZTNUQZAW-WCQYABFASA-N 2 0 364.412 0.525 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753864 492681786 /nfs/dbraw/zinc/68/17/86/492681786.db2.gz ZTYCZFCCQCXYMJ-RBUKOAKNSA-N 2 0 360.502 0.917 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000629816072 492687163 /nfs/dbraw/zinc/68/71/63/492687163.db2.gz USQWGGFHWNCQDF-KRWDZBQOSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH2+]C1(CNC(=O)c2cncc(C(=O)NCC3([NH2+]C)CCC3)c2)CCC1 ZINC000629999316 492713354 /nfs/dbraw/zinc/71/33/54/492713354.db2.gz CKRFDRPUSNXVLJ-UHFFFAOYSA-N 2 0 359.474 0.825 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000636907293 492725408 /nfs/dbraw/zinc/72/54/08/492725408.db2.gz MZFDEWLGCCGCTP-SPYBWZPUSA-N 2 0 366.506 0.527 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCCOCC1 ZINC000651499351 492768938 /nfs/dbraw/zinc/76/89/38/492768938.db2.gz PQAUXAKMOLOUGS-UHFFFAOYSA-N 2 0 350.529 0.159 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC[NH+](C)C ZINC000631180879 492802017 /nfs/dbraw/zinc/80/20/17/492802017.db2.gz WQUQXTZKKRHFMB-UHFFFAOYSA-N 2 0 362.927 0.961 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631184280 492802995 /nfs/dbraw/zinc/80/29/95/492802995.db2.gz JCDPADUZHIGVMH-UHFFFAOYSA-N 2 0 364.494 0.117 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@H]21 ZINC000657870156 492806291 /nfs/dbraw/zinc/80/62/91/492806291.db2.gz DXFWTCHAISJBSO-FUHWJXTLSA-N 2 0 371.485 0.673 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]21 ZINC000657870158 492806635 /nfs/dbraw/zinc/80/66/35/492806635.db2.gz DXFWTCHAISJBSO-WMZOPIPTSA-N 2 0 371.485 0.673 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657873142 492807970 /nfs/dbraw/zinc/80/79/70/492807970.db2.gz DCSCOEZHUASXQU-UHFFFAOYSA-N 2 0 359.474 0.530 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631275469 492808503 /nfs/dbraw/zinc/80/85/03/492808503.db2.gz FGRYDGGCVRFUSY-MRXNPFEDSA-N 2 0 350.511 0.448 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375717 492814177 /nfs/dbraw/zinc/81/41/77/492814177.db2.gz QGDGQHDXHMEYGK-JYJNAYRXSA-N 2 0 351.495 0.452 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000637375489 492814188 /nfs/dbraw/zinc/81/41/88/492814188.db2.gz UTOFHTMIZMNZPG-SJORKVTESA-N 2 0 365.522 0.747 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000637377199 492815624 /nfs/dbraw/zinc/81/56/24/492815624.db2.gz WBHMJJMGQFFTTC-CVEARBPZSA-N 2 0 351.495 0.596 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000637375992 492815742 /nfs/dbraw/zinc/81/57/42/492815742.db2.gz XFFCDZMKGNZNRH-KRWDZBQOSA-N 2 0 365.522 0.986 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000637376813 492816111 /nfs/dbraw/zinc/81/61/11/492816111.db2.gz VEFWJYNZXAAVHH-INIZCTEOSA-N 2 0 353.511 0.938 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376504 492816318 /nfs/dbraw/zinc/81/63/18/492816318.db2.gz LHGFHENPKVKKFK-INIZCTEOSA-N 2 0 353.511 0.842 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000658263067 492856731 /nfs/dbraw/zinc/85/67/31/492856731.db2.gz GOFYRQUSVCKXJQ-CYBMUJFWSA-N 2 0 350.467 0.372 20 0 FCADRP CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@@H](C[NH3+])C1 ZINC000637866544 492872678 /nfs/dbraw/zinc/87/26/78/492872678.db2.gz MXDVTJKNVOKOMX-AWEZNQCLSA-N 2 0 360.462 0.018 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000631909354 492875461 /nfs/dbraw/zinc/87/54/61/492875461.db2.gz BWMDTUBCSKLLOS-KRWDZBQOSA-N 2 0 354.520 0.678 20 0 FCADRP C[NH+]1CCC(CNc2nc(N)[nH+]c3c2CCCC3)(N2CCOCC2)CC1 ZINC000645257949 492884571 /nfs/dbraw/zinc/88/45/71/492884571.db2.gz STNVXEPWKXAXDL-UHFFFAOYSA-N 2 0 360.506 0.568 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652148825 492886735 /nfs/dbraw/zinc/88/67/35/492886735.db2.gz IHDXDTHFSJPIJD-UHFFFAOYSA-N 2 0 353.511 0.618 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000652153297 492888348 /nfs/dbraw/zinc/88/83/48/492888348.db2.gz GGAAIWIBQMTERF-KRWDZBQOSA-N 2 0 353.511 0.163 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940004 492892899 /nfs/dbraw/zinc/89/28/99/492892899.db2.gz NEYMGCOYUKBSJJ-MSOLQXFVSA-N 2 0 372.579 0.665 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)C2)C1 ZINC000652195565 492894421 /nfs/dbraw/zinc/89/44/21/492894421.db2.gz YFEAGLCUPALTOP-ZACQAIPSSA-N 2 0 354.495 0.637 20 0 FCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000638084171 492901945 /nfs/dbraw/zinc/90/19/45/492901945.db2.gz DBHMHQSPIBELKQ-LPHOPBHVSA-N 2 0 362.474 0.361 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000638084174 492902665 /nfs/dbraw/zinc/90/26/65/492902665.db2.gz DBHMHQSPIBELKQ-VQIMIIECSA-N 2 0 362.474 0.361 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000638100354 492905429 /nfs/dbraw/zinc/90/54/29/492905429.db2.gz YOSBHCAMHHFBQX-GOSISDBHSA-N 2 0 360.458 0.462 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638101285 492905668 /nfs/dbraw/zinc/90/56/68/492905668.db2.gz PEPVLFXQLCSKFB-VXGBXAGGSA-N 2 0 354.405 0.964 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652347974 492913609 /nfs/dbraw/zinc/91/36/09/492913609.db2.gz QLNFPZIYAPBVBG-WNRNVDISSA-N 2 0 366.506 0.332 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352224 492914616 /nfs/dbraw/zinc/91/46/16/492914616.db2.gz VBSQWCIFLBQIIV-GJYPPUQNSA-N 2 0 358.490 0.575 20 0 FCADRP [NH3+]Cc1ncc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000638138194 492915338 /nfs/dbraw/zinc/91/53/38/492915338.db2.gz XLCYGNWCUAFJAZ-UHFFFAOYSA-N 2 0 354.458 0.877 20 0 FCADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137805 492915481 /nfs/dbraw/zinc/91/54/81/492915481.db2.gz OECCKADRYMDUCO-OAHLLOKOSA-N 2 0 363.481 0.660 20 0 FCADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652360473 492915847 /nfs/dbraw/zinc/91/58/47/492915847.db2.gz IXKGODCUJAVFMO-ZACQAIPSSA-N 2 0 352.479 0.038 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000638142031 492916852 /nfs/dbraw/zinc/91/68/52/492916852.db2.gz XHXMTBLHTWFYMF-IBGZPJMESA-N 2 0 372.513 0.350 20 0 FCADRP CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000645517364 492919389 /nfs/dbraw/zinc/91/93/89/492919389.db2.gz MANYGYXMIUJWLT-MRXNPFEDSA-N 2 0 365.540 0.183 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632057420 492920424 /nfs/dbraw/zinc/92/04/24/492920424.db2.gz DBEYERKVPCRSKG-GOSISDBHSA-N 2 0 372.579 0.617 20 0 FCADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000638366361 492940927 /nfs/dbraw/zinc/94/09/27/492940927.db2.gz NRCDAAIZGCYEIT-VIBAHUMZSA-N 2 0 357.458 0.606 20 0 FCADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000638414028 492944592 /nfs/dbraw/zinc/94/45/92/492944592.db2.gz LEFCZRUXQHYZQM-MAUKXSAKSA-N 2 0 364.490 0.397 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632245119 492956837 /nfs/dbraw/zinc/95/68/37/492956837.db2.gz ULANBTJSXPGMJJ-SFHVURJKSA-N 2 0 369.531 0.837 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1=O ZINC000638562851 492960911 /nfs/dbraw/zinc/96/09/11/492960911.db2.gz ZYJZIXSQTXTZRO-UPJWGTAASA-N 2 0 364.412 0.382 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638560396 492960931 /nfs/dbraw/zinc/96/09/31/492960931.db2.gz TWSRUDDPJCGGME-IJLUTSLNSA-N 2 0 350.385 0.230 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000638558731 492961122 /nfs/dbraw/zinc/96/11/22/492961122.db2.gz OJMXHSOXZIHZCI-ZIAGYGMSSA-N 2 0 350.429 1.000 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000638602988 492964841 /nfs/dbraw/zinc/96/48/41/492964841.db2.gz QGVYQZPYZAFCLB-HNNXBMFYSA-N 2 0 352.479 0.040 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000645783007 492974896 /nfs/dbraw/zinc/97/48/96/492974896.db2.gz BJWBBDSVQPVGOF-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000638784006 492978396 /nfs/dbraw/zinc/97/83/96/492978396.db2.gz QPCBMFFTIOWSMP-KRWDZBQOSA-N 2 0 361.490 0.579 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cccc4c3CC[NH2+]C4)CC2)C1=O ZINC000638855633 492982295 /nfs/dbraw/zinc/98/22/95/492982295.db2.gz GDLJLJBYSKBVGA-IBGZPJMESA-N 2 0 370.497 0.686 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652668358 492983401 /nfs/dbraw/zinc/98/34/01/492983401.db2.gz YJBYJXWAQJQDSM-LUKYLMHMSA-N 2 0 368.522 0.578 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCCN1c1ncccn1 ZINC000638984496 492990554 /nfs/dbraw/zinc/99/05/54/492990554.db2.gz XLTHISCGGODDBT-HNNXBMFYSA-N 2 0 353.430 0.889 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000638987971 492990674 /nfs/dbraw/zinc/99/06/74/492990674.db2.gz PYMRRLVRSJDXGQ-RYUDHWBXSA-N 2 0 371.363 0.887 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnc2n(c1=O)CCS2 ZINC000638987104 492991079 /nfs/dbraw/zinc/99/10/79/492991079.db2.gz LDCZGYRWLUQXNO-UHFFFAOYSA-N 2 0 358.427 0.406 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639005883 492991378 /nfs/dbraw/zinc/99/13/78/492991378.db2.gz QMPDDWSOAYWHSU-MSOLQXFVSA-N 2 0 358.486 0.944 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639005884 492991504 /nfs/dbraw/zinc/99/15/04/492991504.db2.gz QMPDDWSOAYWHSU-QZTJIDSGSA-N 2 0 358.486 0.944 20 0 FCADRP CC[N@H+](CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000652707931 492996427 /nfs/dbraw/zinc/99/64/27/492996427.db2.gz IQNFKRJKMOAERX-IYBDPMFKSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000646104709 493013166 /nfs/dbraw/zinc/01/31/66/493013166.db2.gz UNMUIDMPZWVDAE-UHFFFAOYSA-N 2 0 352.523 0.772 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[NH+]1CCN(C)CC1 ZINC000646107803 493013288 /nfs/dbraw/zinc/01/32/88/493013288.db2.gz BUTMWEJZDQTGIU-ROUUACIJSA-N 2 0 362.522 0.809 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652737501 493014107 /nfs/dbraw/zinc/01/41/07/493014107.db2.gz LXSIOIZSEMABLH-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683490 493031345 /nfs/dbraw/zinc/03/13/45/493031345.db2.gz ZYLDYYXHINHVSB-HZPDHXFCSA-N 2 0 359.474 0.706 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000626879527 493045694 /nfs/dbraw/zinc/04/56/94/493045694.db2.gz LUARNPBYQRPDJG-QGZVFWFLSA-N 2 0 360.458 0.716 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC000653115518 493072837 /nfs/dbraw/zinc/07/28/37/493072837.db2.gz RHXMXVHPMOVBQN-GUXCAODWSA-N 2 0 372.469 0.558 20 0 FCADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000653117885 493074082 /nfs/dbraw/zinc/07/40/82/493074082.db2.gz YLBMQWYWVWGRAR-LJQANCHMSA-N 2 0 361.534 0.542 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653124878 493076608 /nfs/dbraw/zinc/07/66/08/493076608.db2.gz KARVMINUJISNOV-LJQANCHMSA-N 2 0 361.534 0.719 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c(C)c2)CC1 ZINC000633030020 493105867 /nfs/dbraw/zinc/10/58/67/493105867.db2.gz ZAKCAIUOUATGHT-RDJZCZTQSA-N 2 0 371.485 0.648 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000633039572 493108489 /nfs/dbraw/zinc/10/84/89/493108489.db2.gz LNYBEDBNOLBAQK-LSDHHAIUSA-N 2 0 359.474 0.715 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000633040434 493108974 /nfs/dbraw/zinc/10/89/74/493108974.db2.gz XMQBCTHSIDJFSU-DOTOQJQBSA-N 2 0 373.501 0.711 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627230530 493111600 /nfs/dbraw/zinc/11/16/00/493111600.db2.gz SQXIHAIENDOKDH-QGZVFWFLSA-N 2 0 361.494 0.972 20 0 FCADRP C[NH+](C)Cc1ccnc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000640564448 493117694 /nfs/dbraw/zinc/11/76/94/493117694.db2.gz GHBNMELYSOLRSI-INIZCTEOSA-N 2 0 374.489 0.914 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258983 493120297 /nfs/dbraw/zinc/12/02/97/493120297.db2.gz KHOVYLVIEOKUOO-BJLQDIEVSA-N 2 0 359.470 0.291 20 0 FCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)C1 ZINC000659038112 493128761 /nfs/dbraw/zinc/12/87/61/493128761.db2.gz KBYWMBVQIHVHJK-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000633106845 493128959 /nfs/dbraw/zinc/12/89/59/493128959.db2.gz XIHDRDYWAURHMU-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633112031 493130502 /nfs/dbraw/zinc/13/05/02/493130502.db2.gz VSBIEMXGCBEAFQ-CEXWTWQISA-N 2 0 370.497 0.725 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117708 493133341 /nfs/dbraw/zinc/13/33/41/493133341.db2.gz FPQZIBCRMSTKAF-LAVFITLUSA-N 2 0 356.470 0.667 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627310370 493145063 /nfs/dbraw/zinc/14/50/63/493145063.db2.gz PZMDBOXYHRUWQA-GOSISDBHSA-N 2 0 374.485 0.393 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000627325677 493154474 /nfs/dbraw/zinc/15/44/74/493154474.db2.gz QWTWBTGLEJYTDU-AWEZNQCLSA-N 2 0 352.504 0.884 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627328760 493156154 /nfs/dbraw/zinc/15/61/54/493156154.db2.gz MSZBHXBCMOXLKO-IRXDYDNUSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627339115 493161323 /nfs/dbraw/zinc/16/13/23/493161323.db2.gz ZJPMOKCYBPTAND-KRWDZBQOSA-N 2 0 362.474 0.248 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000659130699 493162035 /nfs/dbraw/zinc/16/20/35/493162035.db2.gz LKXRPMNWGIBSGE-QGZVFWFLSA-N 2 0 366.506 0.252 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627343030 493163179 /nfs/dbraw/zinc/16/31/79/493163179.db2.gz WWNKELNPVTVDMZ-KBAYOESNSA-N 2 0 374.485 0.118 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000627342141 493163201 /nfs/dbraw/zinc/16/32/01/493163201.db2.gz XKFPOQHYCIMTKM-NWDGAFQWSA-N 2 0 364.412 0.573 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627342897 493163653 /nfs/dbraw/zinc/16/36/53/493163653.db2.gz SGSIESYVMAJTPG-NVXWUHKLSA-N 2 0 366.506 0.060 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000627342142 493163787 /nfs/dbraw/zinc/16/37/87/493163787.db2.gz XKFPOQHYCIMTKM-RYUDHWBXSA-N 2 0 364.412 0.573 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000627357621 493174874 /nfs/dbraw/zinc/17/48/74/493174874.db2.gz LCJXMQGDOPNWNB-ZWKOTPCHSA-N 2 0 374.485 0.044 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627358073 493174921 /nfs/dbraw/zinc/17/49/21/493174921.db2.gz ZZGVXHBPDMKIFC-BRWVUGGUSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659441496 493177795 /nfs/dbraw/zinc/17/77/95/493177795.db2.gz SYLHXYKRHMIVNZ-SJKOYZFVSA-N 2 0 350.467 0.951 20 0 FCADRP C[NH+]1CCN(Cc2cn(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000641229012 493185639 /nfs/dbraw/zinc/18/56/39/493185639.db2.gz FXCJZFBEEXSAIG-FQEVSTJZSA-N 2 0 370.501 0.663 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627389803 493197132 /nfs/dbraw/zinc/19/71/32/493197132.db2.gz QNQFFYGHWVBWCD-RYUDHWBXSA-N 2 0 352.401 0.430 20 0 FCADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000659349303 493197229 /nfs/dbraw/zinc/19/72/29/493197229.db2.gz MZGSLTPJVYKPIJ-IUODEOHRSA-N 2 0 364.400 0.781 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539571 493209611 /nfs/dbraw/zinc/20/96/11/493209611.db2.gz RKJRWKYOTHIMAD-QWHCGFSZSA-N 2 0 365.444 0.995 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000666753433 493222219 /nfs/dbraw/zinc/22/22/19/493222219.db2.gz WJUBCKLSHTXMHQ-MRXNPFEDSA-N 2 0 355.527 0.768 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630219 493224251 /nfs/dbraw/zinc/22/42/51/493224251.db2.gz GXOQQHRKBNGBQD-SWLSCSKDSA-N 2 0 360.462 0.799 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000672693171 493233494 /nfs/dbraw/zinc/23/34/94/493233494.db2.gz QQEPTWDDBGDUGY-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000672691594 493233698 /nfs/dbraw/zinc/23/36/98/493233698.db2.gz ZGJCGPGFQAZJGY-INIZCTEOSA-N 2 0 368.522 0.282 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000672691595 493233760 /nfs/dbraw/zinc/23/37/60/493233760.db2.gz ZGJCGPGFQAZJGY-MRXNPFEDSA-N 2 0 368.522 0.282 20 0 FCADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000641443780 493237344 /nfs/dbraw/zinc/23/73/44/493237344.db2.gz WDPDETFAKIZGDO-DLBZAZTESA-N 2 0 360.506 0.972 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)CCO2 ZINC000666979365 493245182 /nfs/dbraw/zinc/24/51/82/493245182.db2.gz VDMHSCIMYZNKQK-KRWDZBQOSA-N 2 0 366.506 0.746 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000659686797 493253743 /nfs/dbraw/zinc/25/37/43/493253743.db2.gz JYKBQYRBEKBVMZ-CYBMUJFWSA-N 2 0 352.504 0.800 20 0 FCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659689383 493254517 /nfs/dbraw/zinc/25/45/17/493254517.db2.gz CBWXHMMRRURPHN-CQSZACIVSA-N 2 0 361.490 0.919 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672818594 493255670 /nfs/dbraw/zinc/25/56/70/493255670.db2.gz NZZHTFCACZHQBC-UHFFFAOYSA-N 2 0 356.511 0.585 20 0 FCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000681948498 493256521 /nfs/dbraw/zinc/25/65/21/493256521.db2.gz BBACHSJVRUEHPU-MRXNPFEDSA-N 2 0 369.554 0.499 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659695075 493258097 /nfs/dbraw/zinc/25/80/97/493258097.db2.gz RHTMYORUNGRGHF-HFTRVMKXSA-N 2 0 362.518 0.824 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705941 493264295 /nfs/dbraw/zinc/26/42/95/493264295.db2.gz AATABYQLWQPMLW-SJORKVTESA-N 2 0 366.506 0.062 20 0 FCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659717129 493269466 /nfs/dbraw/zinc/26/94/66/493269466.db2.gz ZYMVIUWFSQMASU-ZWKOTPCHSA-N 2 0 373.501 0.796 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659717128 493269764 /nfs/dbraw/zinc/26/97/64/493269764.db2.gz ZYMVIUWFSQMASU-ROUUACIJSA-N 2 0 373.501 0.796 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659726910 493274523 /nfs/dbraw/zinc/27/45/23/493274523.db2.gz CQDSMBCJYGNXPT-YJBOKZPZSA-N 2 0 373.501 0.606 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659728503 493275384 /nfs/dbraw/zinc/27/53/84/493275384.db2.gz JSVHEIFWGUNURH-CRAIPNDOSA-N 2 0 373.501 0.606 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659738643 493279614 /nfs/dbraw/zinc/27/96/14/493279614.db2.gz HIWJPFLJLDEZQT-GVDBMIGSSA-N 2 0 366.506 0.332 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000659738844 493279624 /nfs/dbraw/zinc/27/96/24/493279624.db2.gz IYHGEMYFOPXJLM-ULQDDVLXSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659737956 493279754 /nfs/dbraw/zinc/27/97/54/493279754.db2.gz WRIBONMBNNXAQW-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659738645 493279918 /nfs/dbraw/zinc/27/99/18/493279918.db2.gz HIWJPFLJLDEZQT-YESZJQIVSA-N 2 0 366.506 0.332 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000659739378 493280445 /nfs/dbraw/zinc/28/04/45/493280445.db2.gz RZCHIBBBNIQBHZ-YESZJQIVSA-N 2 0 362.449 0.679 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659751657 493286129 /nfs/dbraw/zinc/28/61/29/493286129.db2.gz IGRPNKWNGPATQV-OAHLLOKOSA-N 2 0 361.490 0.271 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659754253 493286660 /nfs/dbraw/zinc/28/66/60/493286660.db2.gz CJNDESXTELWJRO-YOEHRIQHSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC000659757536 493287086 /nfs/dbraw/zinc/28/70/86/493287086.db2.gz ZPZPRVWGZNYBMV-FGTMMUONSA-N 2 0 362.518 0.810 20 0 FCADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673147336 493295633 /nfs/dbraw/zinc/29/56/33/493295633.db2.gz ZAUAAOCDPOOOEI-HOCLYGCPSA-N 2 0 362.478 0.468 20 0 FCADRP CCC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)S(N)(=O)=O ZINC000667812304 493303343 /nfs/dbraw/zinc/30/33/43/493303343.db2.gz JFJWZLMGCQEAGE-CABCVRRESA-N 2 0 362.540 0.318 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337275 493318763 /nfs/dbraw/zinc/31/87/63/493318763.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668624929 493386111 /nfs/dbraw/zinc/38/61/11/493386111.db2.gz CXZUQGZGYWKPML-GDBMZVCRSA-N 2 0 354.495 0.202 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000668643570 493389489 /nfs/dbraw/zinc/38/94/89/493389489.db2.gz KEOFPACDOHCAGQ-OAHLLOKOSA-N 2 0 364.515 0.823 20 0 FCADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000674320106 493407436 /nfs/dbraw/zinc/40/74/36/493407436.db2.gz BNKBXPYLVFNOEP-UHFFFAOYSA-N 2 0 372.429 0.433 20 0 FCADRP COC1CC[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000674324413 493407784 /nfs/dbraw/zinc/40/77/84/493407784.db2.gz DACXXBVEXXQCQS-FQEVSTJZSA-N 2 0 361.486 0.850 20 0 FCADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000674321287 493408182 /nfs/dbraw/zinc/40/81/82/493408182.db2.gz SJIYUTFVHVBMEB-UHFFFAOYSA-N 2 0 362.474 0.914 20 0 FCADRP CC(C)c1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000684639980 493425091 /nfs/dbraw/zinc/42/50/91/493425091.db2.gz HKBSTRUTVBEREI-UHFFFAOYSA-N 2 0 350.467 0.490 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000668893141 493430167 /nfs/dbraw/zinc/43/01/67/493430167.db2.gz MXUWFYXJAVRRCG-RHSMWYFYSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000674630469 493434895 /nfs/dbraw/zinc/43/48/95/493434895.db2.gz FEENWTHHQDRYIR-BBWFWOEESA-N 2 0 365.522 0.842 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000674630470 493434975 /nfs/dbraw/zinc/43/49/75/493434975.db2.gz FEENWTHHQDRYIR-ZACQAIPSSA-N 2 0 365.522 0.842 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000661662972 493456388 /nfs/dbraw/zinc/45/63/88/493456388.db2.gz JFXBBXAHCYZTOT-APWZRJJASA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444266 493492209 /nfs/dbraw/zinc/49/22/09/493492209.db2.gz KDMHUYMUUMNHNM-HNNXBMFYSA-N 2 0 357.458 0.497 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444267 493492355 /nfs/dbraw/zinc/49/23/55/493492355.db2.gz KDMHUYMUUMNHNM-OAHLLOKOSA-N 2 0 357.458 0.497 20 0 FCADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000662273288 493502013 /nfs/dbraw/zinc/50/20/13/493502013.db2.gz LDZLMLGVNKBDBZ-SJORKVTESA-N 2 0 353.488 0.923 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669430851 493503688 /nfs/dbraw/zinc/50/36/88/493503688.db2.gz HGEKROBFROSYSQ-PKOBYXMFSA-N 3 0 372.517 0.987 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000669443197 493504319 /nfs/dbraw/zinc/50/43/19/493504319.db2.gz OLGPCENNLPOTFU-KRWDZBQOSA-N 2 0 365.522 0.572 20 0 FCADRP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000669443198 493504426 /nfs/dbraw/zinc/50/44/26/493504426.db2.gz OLGPCENNLPOTFU-QGZVFWFLSA-N 2 0 365.522 0.572 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294458 493504777 /nfs/dbraw/zinc/50/47/77/493504777.db2.gz WITZTXSGBGEKBA-CRAIPNDOSA-N 2 0 350.507 0.777 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000669486463 493506634 /nfs/dbraw/zinc/50/66/34/493506634.db2.gz LUMLJVKPHXRYTM-MRXNPFEDSA-N 2 0 353.511 0.354 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491440 493507669 /nfs/dbraw/zinc/50/76/69/493507669.db2.gz ZDKBKDBBOHKIIQ-ZIAGYGMSSA-N 2 0 363.428 0.606 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491438 493507724 /nfs/dbraw/zinc/50/77/24/493507724.db2.gz ZDKBKDBBOHKIIQ-KGLIPLIRSA-N 2 0 363.428 0.606 20 0 FCADRP Cn1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1=O ZINC000662337950 493507887 /nfs/dbraw/zinc/50/78/87/493507887.db2.gz OECTWSJQTWMPEP-INIZCTEOSA-N 2 0 356.474 0.898 20 0 FCADRP CN1CCC(CNC(=O)NC[C@H]2C[NH2+]CCCO2)([NH+]2CCCCC2)CC1 ZINC000669502254 493508376 /nfs/dbraw/zinc/50/83/76/493508376.db2.gz WGPOKXLVIGSAAU-QGZVFWFLSA-N 2 0 367.538 0.614 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662350474 493508653 /nfs/dbraw/zinc/50/86/53/493508653.db2.gz BVXWUJZTSYKKGM-HNNXBMFYSA-N 2 0 350.467 0.289 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662365149 493509866 /nfs/dbraw/zinc/50/98/66/493509866.db2.gz POEMFHZDZBCTPI-OAHLLOKOSA-N 2 0 370.461 0.520 20 0 FCADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)c3cc4c(s3)CC[NH2+]C4)CCO2)CC1 ZINC000662447573 493516240 /nfs/dbraw/zinc/51/62/40/493516240.db2.gz ABFLUHLDUFMRCX-OAHLLOKOSA-N 2 0 364.515 0.482 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662462535 493517797 /nfs/dbraw/zinc/51/77/97/493517797.db2.gz KHQRPCAHDILWRJ-OAHLLOKOSA-N 2 0 364.515 0.530 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662560035 493526289 /nfs/dbraw/zinc/52/62/89/493526289.db2.gz CRXHAGFUMKCVFR-AWEZNQCLSA-N 2 0 363.462 0.601 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC000662637967 493529410 /nfs/dbraw/zinc/52/94/10/493529410.db2.gz NLNPQTPCDCFBEF-UHFFFAOYSA-N 2 0 357.462 0.664 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662659324 493530092 /nfs/dbraw/zinc/53/00/92/493530092.db2.gz SBKFJMHMMNBDCB-MSOLQXFVSA-N 2 0 358.486 0.630 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668653 493530617 /nfs/dbraw/zinc/53/06/17/493530617.db2.gz OOZVKUFXIATVOC-CVEARBPZSA-N 2 0 364.494 0.679 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712092 493533856 /nfs/dbraw/zinc/53/38/56/493533856.db2.gz PXJZREPUYLUPND-IUODEOHRSA-N 2 0 364.412 0.587 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662715402 493534225 /nfs/dbraw/zinc/53/42/25/493534225.db2.gz HWZPNLZELIFUJX-UHFFFAOYSA-N 2 0 358.486 0.959 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)cn2)CC1 ZINC000662755990 493539106 /nfs/dbraw/zinc/53/91/06/493539106.db2.gz GFQYWAFVLVZLCF-MRXNPFEDSA-N 2 0 371.407 0.992 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758769 493540096 /nfs/dbraw/zinc/54/00/96/493540096.db2.gz STNOOUOERUUURG-DZGCQCFKSA-N 2 0 350.429 0.918 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1CC[NH2+]C2 ZINC000662772927 493540484 /nfs/dbraw/zinc/54/04/84/493540484.db2.gz JFURPYUBZQCNJE-OAHLLOKOSA-N 2 0 356.392 0.898 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662774246 493541155 /nfs/dbraw/zinc/54/11/55/493541155.db2.gz PTSVXYXNPZXHHK-KOLCDFICSA-N 2 0 362.318 0.481 20 0 FCADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662817265 493544860 /nfs/dbraw/zinc/54/48/60/493544860.db2.gz UFTLFIDNWQMGDH-YJBOKZPZSA-N 2 0 361.490 0.947 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842586 493546486 /nfs/dbraw/zinc/54/64/86/493546486.db2.gz PXKJTLNPXMHKNQ-SJORKVTESA-N 2 0 350.507 0.635 20 0 FCADRP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901691 493550556 /nfs/dbraw/zinc/55/05/56/493550556.db2.gz YIHNCLWPEOVFBL-CQSZACIVSA-N 2 0 351.520 0.885 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)[C@@H]2C1 ZINC000662944606 493558468 /nfs/dbraw/zinc/55/84/68/493558468.db2.gz NXTJHVIDKKERLI-KZNAEPCWSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000670432810 493566349 /nfs/dbraw/zinc/56/63/49/493566349.db2.gz FEXCBWWRXBXTDV-ZACQAIPSSA-N 2 0 350.507 0.918 20 0 FCADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016842 493566472 /nfs/dbraw/zinc/56/64/72/493566472.db2.gz GHLIODCZUGSYMJ-JKSUJKDBSA-N 2 0 372.517 0.915 20 0 FCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000676997442 493581579 /nfs/dbraw/zinc/58/15/79/493581579.db2.gz YGXLPNSVAWDFDJ-GOSISDBHSA-N 2 0 366.462 0.124 20 0 FCADRP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000677152686 493587294 /nfs/dbraw/zinc/58/72/94/493587294.db2.gz ITKOPZUUNGSACL-GJZGRUSLSA-N 2 0 362.526 0.396 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000663446122 493590010 /nfs/dbraw/zinc/59/00/10/493590010.db2.gz CRGVTLCXUCEATG-UHFFFAOYSA-N 2 0 355.527 0.912 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000663479380 493591732 /nfs/dbraw/zinc/59/17/32/493591732.db2.gz HKSGTSAMLCRICK-MRXNPFEDSA-N 2 0 371.526 0.005 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663581074 493601424 /nfs/dbraw/zinc/60/14/24/493601424.db2.gz ZVEACBNNGJUFOG-GOSISDBHSA-N 2 0 367.538 0.565 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000670983494 493619233 /nfs/dbraw/zinc/61/92/33/493619233.db2.gz ITNGWNXITZHPMY-KRWDZBQOSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663825589 493619549 /nfs/dbraw/zinc/61/95/49/493619549.db2.gz LPOKMLQADAZLHR-QGZVFWFLSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000671032351 493624877 /nfs/dbraw/zinc/62/48/77/493624877.db2.gz CRORSFQMRRVERQ-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677941432 493625840 /nfs/dbraw/zinc/62/58/40/493625840.db2.gz FWHPNWIIMYNAIO-FHWLQOOXSA-N 2 0 358.486 0.128 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000671070927 493629272 /nfs/dbraw/zinc/62/92/72/493629272.db2.gz QYZKIOHISAOWGL-YOEHRIQHSA-N 2 0 356.536 0.531 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000671070926 493629395 /nfs/dbraw/zinc/62/93/95/493629395.db2.gz QYZKIOHISAOWGL-WMLDXEAASA-N 2 0 356.536 0.531 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000671103344 493634406 /nfs/dbraw/zinc/63/44/06/493634406.db2.gz FUNXSLFYZZBUFD-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000671103346 493634453 /nfs/dbraw/zinc/63/44/53/493634453.db2.gz FUNXSLFYZZBUFD-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671105916 493634678 /nfs/dbraw/zinc/63/46/78/493634678.db2.gz OTNVBNDSQCECTF-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000671105623 493635266 /nfs/dbraw/zinc/63/52/66/493635266.db2.gz SMTFOVNYNZWMGF-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000664767845 493682696 /nfs/dbraw/zinc/68/26/96/493682696.db2.gz XSYHPOUQJYPNFO-UHFFFAOYSA-N 2 0 353.511 0.522 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000671819763 493707626 /nfs/dbraw/zinc/70/76/26/493707626.db2.gz VMPRTKGIWROTEM-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000680284096 493712853 /nfs/dbraw/zinc/71/28/53/493712853.db2.gz ITZDFABKPFHWLD-DZKIICNBSA-N 2 0 364.494 0.032 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680507983 493720645 /nfs/dbraw/zinc/72/06/45/493720645.db2.gz DUVRYLQFPPJMLG-QGZVFWFLSA-N 2 0 369.554 0.813 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672011577 493724592 /nfs/dbraw/zinc/72/45/92/493724592.db2.gz JXPRYMMCWRTKIQ-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672014453 493724734 /nfs/dbraw/zinc/72/47/34/493724734.db2.gz MVUKCIYGFODTEE-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000672012959 493725095 /nfs/dbraw/zinc/72/50/95/493725095.db2.gz DXLPKMWOQUWYIK-BHYGNILZSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672312174 493755006 /nfs/dbraw/zinc/75/50/06/493755006.db2.gz XUOIBUZXBGAHGG-MRXNPFEDSA-N 2 0 350.507 0.920 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666151211 493760423 /nfs/dbraw/zinc/76/04/23/493760423.db2.gz GEBIBAHDSWEXJJ-UHFFFAOYSA-N 2 0 363.506 0.907 20 0 FCADRP C[C@@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000413253306 533950226 /nfs/dbraw/zinc/95/02/26/533950226.db2.gz UPKJXQOPOGVIRN-INIZCTEOSA-N 2 0 367.538 0.565 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000410845125 527803922 /nfs/dbraw/zinc/80/39/22/527803922.db2.gz QELCWRPUKCFGHL-YESZJQIVSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000410845121 527804089 /nfs/dbraw/zinc/80/40/89/527804089.db2.gz QELCWRPUKCFGHL-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410807093 528434211 /nfs/dbraw/zinc/43/42/11/528434211.db2.gz HKFAIKSLLDITSY-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000411030770 529074416 /nfs/dbraw/zinc/07/44/16/529074416.db2.gz RUGXUDYUTJUGOW-IXDOHACOSA-N 2 0 350.507 0.870 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419535004 536543443 /nfs/dbraw/zinc/54/34/43/536543443.db2.gz KPNMAQJCQBSDDK-QGZVFWFLSA-N 2 0 368.522 0.627 20 0 FCADRP CC(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000425638640 534996496 /nfs/dbraw/zinc/99/64/96/534996496.db2.gz LICCDKMXINZROM-OKZBNKHCSA-N 2 0 351.539 0.994 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000419975674 535066920 /nfs/dbraw/zinc/06/69/20/535066920.db2.gz LLIVNSMHXXXPFM-MRXNPFEDSA-N 2 0 352.454 0.815 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000419972307 535067218 /nfs/dbraw/zinc/06/72/18/535067218.db2.gz HPCLUXCSRORCJD-MRXNPFEDSA-N 2 0 370.444 0.955 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419692522 535071045 /nfs/dbraw/zinc/07/10/45/535071045.db2.gz GZRBATIZOLCJSK-HZPDHXFCSA-N 2 0 354.495 0.108 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419386489 535080569 /nfs/dbraw/zinc/08/05/69/535080569.db2.gz DLDVVCPACTZQMY-QGZVFWFLSA-N 2 0 358.486 0.889 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419158190 535082792 /nfs/dbraw/zinc/08/27/92/535082792.db2.gz WFGQHEMCWRTUJL-VQIMIIECSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C[NH+]1CCCC1 ZINC000419670317 535084408 /nfs/dbraw/zinc/08/44/08/535084408.db2.gz WTPITGBMQDWRAD-HRCADAONSA-N 2 0 350.507 0.810 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000415331113 535205436 /nfs/dbraw/zinc/20/54/36/535205436.db2.gz ZXRJGMUBJHNFHV-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000415363485 535205523 /nfs/dbraw/zinc/20/55/23/535205523.db2.gz QLMPPYROSFOCCI-INIZCTEOSA-N 2 0 373.501 0.963 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419636171 535298377 /nfs/dbraw/zinc/29/83/77/535298377.db2.gz GXDNNWYBDDSLMT-MRXNPFEDSA-N 2 0 350.507 0.871 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000423714975 535438825 /nfs/dbraw/zinc/43/88/25/535438825.db2.gz GWMDWIKCTRBTAJ-DLBZAZTESA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419238664 535462758 /nfs/dbraw/zinc/46/27/58/535462758.db2.gz DJMPVWHFDXHFHT-HOTGVXAUSA-N 2 0 360.502 0.985 20 0 FCADRP CC[NH2+]CCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419238666 535463742 /nfs/dbraw/zinc/46/37/42/535463742.db2.gz DJMPVWHFDXHFHT-VQFNDLOPSA-N 2 0 360.502 0.985 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423465245 535522769 /nfs/dbraw/zinc/52/27/69/535522769.db2.gz HKRFDHVBQIDNIV-CYBMUJFWSA-N 2 0 366.428 0.930 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423528608 535542730 /nfs/dbraw/zinc/54/27/30/535542730.db2.gz UEOJXZFMPNDFJL-OAHLLOKOSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423641629 535543155 /nfs/dbraw/zinc/54/31/55/535543155.db2.gz HPMJFSFYXBYOMT-OAHLLOKOSA-N 2 0 354.495 0.286 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419943418 535543904 /nfs/dbraw/zinc/54/39/04/535543904.db2.gz IMCCRYOKVYEEAR-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423674160 535548864 /nfs/dbraw/zinc/54/88/64/535548864.db2.gz ARRLPESPMWVKRC-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccsc1 ZINC000419372880 535669273 /nfs/dbraw/zinc/66/92/73/535669273.db2.gz MWXCNVLJVPIQFW-LSDHHAIUSA-N 2 0 368.503 0.433 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000424179989 535734814 /nfs/dbraw/zinc/73/48/14/535734814.db2.gz MTIAHGRQCHQZIC-HZPDHXFCSA-N 2 0 360.506 0.729 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000415352154 535751133 /nfs/dbraw/zinc/75/11/33/535751133.db2.gz JVUKPZWZHQPCTP-OAHLLOKOSA-N 2 0 359.474 0.574 20 0 FCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423487831 535771296 /nfs/dbraw/zinc/77/12/96/535771296.db2.gz XUQGIHHVQSRZJL-GOSISDBHSA-N 2 0 358.486 0.789 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000423426977 535882487 /nfs/dbraw/zinc/88/24/87/535882487.db2.gz PZYVAXJMKFURJS-OAHLLOKOSA-N 2 0 350.467 0.278 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000415759609 535907490 /nfs/dbraw/zinc/90/74/90/535907490.db2.gz KIJRXFJTHWGERO-JYAVWHMHSA-N 2 0 366.849 0.553 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000419711972 535927716 /nfs/dbraw/zinc/92/77/16/535927716.db2.gz OJWXNXMNKMWTGL-ZWKOTPCHSA-N 2 0 358.486 0.475 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000419227984 535946500 /nfs/dbraw/zinc/94/65/00/535946500.db2.gz LOBWMLKTTAMUEI-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423711247 535973092 /nfs/dbraw/zinc/97/30/92/535973092.db2.gz MASKKULQVDXDSA-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443078385 536116710 /nfs/dbraw/zinc/11/67/10/536116710.db2.gz WXSQXSUIXIZFOD-CQSZACIVSA-N 2 0 368.503 0.936 20 0 FCADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618705 536307263 /nfs/dbraw/zinc/30/72/63/536307263.db2.gz ZTXHBMZWASYMGZ-AWEZNQCLSA-N 2 0 354.476 0.737 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)C1 ZINC000423448913 536366568 /nfs/dbraw/zinc/36/65/68/536366568.db2.gz QTMYALVBMPPOGI-QGZVFWFLSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613920 536367775 /nfs/dbraw/zinc/36/77/75/536367775.db2.gz RXEYAZUYOHHBEX-NQIIRXRSSA-N 2 0 370.497 0.931 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419398676 536368185 /nfs/dbraw/zinc/36/81/85/536368185.db2.gz XNPHULRPGHHCCR-QGZVFWFLSA-N 2 0 358.486 0.760 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419673228 536416641 /nfs/dbraw/zinc/41/66/41/536416641.db2.gz CCNYJQCLRLSRFX-AWEZNQCLSA-N 2 0 354.520 0.285 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000419191135 536416731 /nfs/dbraw/zinc/41/67/31/536416731.db2.gz NVVJNCRFLDEJDK-SFHVURJKSA-N 2 0 358.486 0.896 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172645 536470320 /nfs/dbraw/zinc/47/03/20/536470320.db2.gz SYBRPLLJTZCICW-WMLDXEAASA-N 2 0 360.458 0.905 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000423674784 536652949 /nfs/dbraw/zinc/65/29/49/536652949.db2.gz PJRSVAJBXMPSCB-JKSUJKDBSA-N 2 0 352.479 0.038 20 0 FCADRP COCC1(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC[NH2+]CC1 ZINC000592219278 546622312 /nfs/dbraw/zinc/62/23/12/546622312.db2.gz HVIGFZIMYYQWGQ-KRWDZBQOSA-N 2 0 352.523 0.630 20 0 FCADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000592962406 546681044 /nfs/dbraw/zinc/68/10/44/546681044.db2.gz DXFLNQWTUHPWKR-HNNXBMFYSA-N 2 0 353.463 0.385 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736266 546747709 /nfs/dbraw/zinc/74/77/09/546747709.db2.gz KWUFSMJDZJFEBM-FMKPAKJESA-N 2 0 352.479 0.973 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000545176125 547030844 /nfs/dbraw/zinc/03/08/44/547030844.db2.gz JOHXOHKSCSSJCE-SFHVURJKSA-N 2 0 354.495 0.387 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940992 547075563 /nfs/dbraw/zinc/07/55/63/547075563.db2.gz RFRLFXVNHYAUCX-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550032458 547077321 /nfs/dbraw/zinc/07/73/21/547077321.db2.gz MNRAYQGRXNJGQW-INIZCTEOSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000550146620 547079876 /nfs/dbraw/zinc/07/98/76/547079876.db2.gz DKUSUCNUUBCERM-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550455948 547086703 /nfs/dbraw/zinc/08/67/03/547086703.db2.gz FBGKGCWCTVOTFR-MRXNPFEDSA-N 2 0 356.511 0.260 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000550692623 547098638 /nfs/dbraw/zinc/09/86/38/547098638.db2.gz YJQSFXWWBXXWGI-OAHLLOKOSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000551039522 547120960 /nfs/dbraw/zinc/12/09/60/547120960.db2.gz KLDRPGZZOOYLOX-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551138543 547128539 /nfs/dbraw/zinc/12/85/39/547128539.db2.gz ZPGOJCHZFOKBPI-IXDOHACOSA-N 2 0 350.507 0.824 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216692 547135724 /nfs/dbraw/zinc/13/57/24/547135724.db2.gz ABTLKDJSVHEUOO-KDOFPFPSSA-N 2 0 368.547 0.673 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551286067 547140320 /nfs/dbraw/zinc/14/03/20/547140320.db2.gz GETNKQJBKRLOPK-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704536 547226070 /nfs/dbraw/zinc/22/60/70/547226070.db2.gz LTMHLBUGUXKZKT-CVEARBPZSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553092447 547253509 /nfs/dbraw/zinc/25/35/09/547253509.db2.gz FZXBSMJQXXBZDB-WBVHZDCISA-N 2 0 354.564 0.956 20 0 FCADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553164348 547257117 /nfs/dbraw/zinc/25/71/17/547257117.db2.gz NJHDJUVPPRMJKE-GVDBMIGSSA-N 2 0 350.507 0.726 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000553271144 547265190 /nfs/dbraw/zinc/26/51/90/547265190.db2.gz GLJSITBJQFMMCT-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000553798772 547308837 /nfs/dbraw/zinc/30/88/37/547308837.db2.gz UTQGZOHANQAONR-UHFFFAOYSA-N 2 0 355.479 0.442 20 0 FCADRP CN(C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cn1 ZINC000553853463 547311526 /nfs/dbraw/zinc/31/15/26/547311526.db2.gz VBPIEPAMAGMSNA-UHFFFAOYSA-N 2 0 369.535 0.794 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000949206033 674397358 /nfs/dbraw/zinc/39/73/58/674397358.db2.gz HMCMGTLVXASVSY-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736766562 599022228 /nfs/dbraw/zinc/02/22/28/599022228.db2.gz BTFWDGLMLWOFGV-UHFFFAOYSA-N 2 0 360.466 0.502 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC000950243967 674422989 /nfs/dbraw/zinc/42/29/89/674422989.db2.gz QULNDWMYFTWLAJ-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269373 598518410 /nfs/dbraw/zinc/51/84/10/598518410.db2.gz WLADPYAXXBAOCA-UONOGXRCSA-N 2 0 359.482 0.959 20 0 FCADRP COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000821810133 599428664 /nfs/dbraw/zinc/42/86/64/599428664.db2.gz WZAZVUWTNAFHNR-CQSZACIVSA-N 2 0 359.478 0.848 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000953978436 674487468 /nfs/dbraw/zinc/48/74/68/674487468.db2.gz RZUHKMWRLYRDEC-BFYDXBDKSA-N 2 0 350.507 0.728 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@@H+]1C ZINC000954412313 674496680 /nfs/dbraw/zinc/49/66/80/674496680.db2.gz DZEHVPOXRXTNSV-BBWFWOEESA-N 2 0 350.507 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000956058601 674517211 /nfs/dbraw/zinc/51/72/11/674517211.db2.gz XVIIXFBFQGFBNK-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821351863 606635232 /nfs/dbraw/zinc/63/52/32/606635232.db2.gz VYBLMVTWHBSSNI-HNNXBMFYSA-N 2 0 358.450 0.961 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000729617308 665736213 /nfs/dbraw/zinc/73/62/13/665736213.db2.gz ABEFYFGEEAKZFX-VQHPVUNQSA-N 2 0 352.479 0.090 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000897672510 665763083 /nfs/dbraw/zinc/76/30/83/665763083.db2.gz UPENZCCITXMIMC-INIZCTEOSA-N 2 0 351.491 0.668 20 0 FCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778906 665772055 /nfs/dbraw/zinc/77/20/55/665772055.db2.gz JBXOVKYSYDAKDJ-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891440307 663393585 /nfs/dbraw/zinc/39/35/85/663393585.db2.gz XFLOPDBDCUZUMP-YPMHNXCESA-N 2 0 352.401 0.876 20 0 FCADRP CC[N@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891479832 663408773 /nfs/dbraw/zinc/40/87/73/663408773.db2.gz BHFWPWFPNBMPOY-ZNMIVQPWSA-N 2 0 351.451 0.047 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526614 663411909 /nfs/dbraw/zinc/41/19/09/663411909.db2.gz COATYSNNDQFSJL-JKSUJKDBSA-N 2 0 353.511 0.080 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21)[NH+](C)C ZINC001022223322 663421214 /nfs/dbraw/zinc/42/12/14/663421214.db2.gz CNMIAHVVGNYTRG-HRCADAONSA-N 2 0 350.507 0.870 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847036 663444367 /nfs/dbraw/zinc/44/43/67/663444367.db2.gz DKZRAYYJZKPBSD-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C(C[NH+]1CCC[C@@H]1C1OCCO1)OCC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933902007 663447764 /nfs/dbraw/zinc/44/77/64/663447764.db2.gz YMEQBDNJCBKRDK-IYBDPMFKSA-N 2 0 356.463 0.678 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)o1 ZINC000926313035 663457736 /nfs/dbraw/zinc/45/77/36/663457736.db2.gz CHODDVOUZMPQKM-OAHLLOKOSA-N 2 0 350.463 0.676 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891980450 663461151 /nfs/dbraw/zinc/46/11/51/663461151.db2.gz VJYIOMGNQMONDI-IRXDYDNUSA-N 2 0 353.511 0.082 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892080452 663474095 /nfs/dbraw/zinc/47/40/95/663474095.db2.gz XZAYUGHSSHDTHW-CABCVRRESA-N 2 0 351.495 0.500 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000892091462 663475259 /nfs/dbraw/zinc/47/52/59/663475259.db2.gz KUDWZHHBIJNTBD-BARDWOONSA-N 2 0 351.451 0.080 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000892096930 663475784 /nfs/dbraw/zinc/47/57/84/663475784.db2.gz KJSIXSDEASKMQC-CABCVRRESA-N 2 0 351.495 0.642 20 0 FCADRP CN(CCCCCC[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108858 663477404 /nfs/dbraw/zinc/47/74/04/663477404.db2.gz WZNDJQSJLKBDFC-CYBMUJFWSA-N 2 0 353.433 0.983 20 0 FCADRP [NH3+][C@@H]1CCCCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109877 663477707 /nfs/dbraw/zinc/47/77/07/663477707.db2.gz XYZJBQOXWSCTSV-OLZOCXBDSA-N 2 0 351.417 0.735 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000892262680 663507605 /nfs/dbraw/zinc/50/76/05/663507605.db2.gz GHVHTFIHWVSRII-UHFFFAOYSA-N 2 0 353.511 0.938 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892281393 663521078 /nfs/dbraw/zinc/52/10/78/663521078.db2.gz JVSKTQKDEPQMQG-LSDHHAIUSA-N 2 0 351.495 0.642 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892283390 663521253 /nfs/dbraw/zinc/52/12/53/663521253.db2.gz XCBPPUFNJRRVAL-YESZJQIVSA-N 2 0 353.511 0.223 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442059 663902614 /nfs/dbraw/zinc/90/26/14/663902614.db2.gz QUKJUHOCHDXRCB-JYJNAYRXSA-N 2 0 351.495 0.452 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000892481857 663961568 /nfs/dbraw/zinc/96/15/68/663961568.db2.gz SNVCLJDBFGWTHX-CABCVRRESA-N 2 0 353.511 0.794 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000892531685 664020553 /nfs/dbraw/zinc/02/05/53/664020553.db2.gz CICRWBLZOSHADL-KSTDHSDQSA-N 2 0 353.511 0.746 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000892648551 664059382 /nfs/dbraw/zinc/05/93/82/664059382.db2.gz FGIOPKNXHMUATN-HOTGVXAUSA-N 2 0 353.511 0.665 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000973336131 664099477 /nfs/dbraw/zinc/09/94/77/664099477.db2.gz WWTBFERFMUVNKW-OVYGPGRDSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000973334342 664100102 /nfs/dbraw/zinc/10/01/02/664100102.db2.gz CVPDFVLJKXADNF-QUSNUVHPSA-N 2 0 350.507 0.822 20 0 FCADRP CC1(C)CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1CCO ZINC000892761981 664138182 /nfs/dbraw/zinc/13/81/82/664138182.db2.gz DTKNQFOXNKZSJH-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000892764663 664138914 /nfs/dbraw/zinc/13/89/14/664138914.db2.gz VZUNJVZRRFSWBR-HRCADAONSA-N 2 0 354.495 0.242 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000892880916 664152475 /nfs/dbraw/zinc/15/24/75/664152475.db2.gz LOIXVILZWNSWTM-CYBMUJFWSA-N 2 0 365.503 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000974191220 664227529 /nfs/dbraw/zinc/22/75/29/664227529.db2.gz WWTBFERFMUVNKW-UHDSXZAQSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893353322 664248986 /nfs/dbraw/zinc/24/89/86/664248986.db2.gz NWCCWTYOFLNVOH-PBHICJAKSA-N 2 0 367.515 0.891 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21)[NH+](C)C ZINC000975861867 664355670 /nfs/dbraw/zinc/35/56/70/664355670.db2.gz KNLXXVCAWHMOHI-HZMVEIRTSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001027893235 664472427 /nfs/dbraw/zinc/47/24/27/664472427.db2.gz PVGZQAFILNQTCM-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925823349 664844097 /nfs/dbraw/zinc/84/40/97/664844097.db2.gz QZHAAMCMOCOQCJ-YESZJQIVSA-N 2 0 359.536 0.937 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000981956343 664851260 /nfs/dbraw/zinc/85/12/60/664851260.db2.gz IHBCTILMZWHGON-VVLHAWIVSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000893740585 664872954 /nfs/dbraw/zinc/87/29/54/664872954.db2.gz FFKACERXVVEQKB-DLBZAZTESA-N 2 0 354.495 0.120 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@H]2C1 ZINC000893739468 664873028 /nfs/dbraw/zinc/87/30/28/664873028.db2.gz BCIBADZUXNZJRQ-ATLSCFEFSA-N 2 0 350.507 0.957 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001028547382 664901424 /nfs/dbraw/zinc/90/14/24/664901424.db2.gz SAUKPACFSLXHGI-NXHRZFHOSA-N 2 0 353.507 0.554 20 0 FCADRP Cc1csc(=O)n1CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549357 664901456 /nfs/dbraw/zinc/90/14/56/664901456.db2.gz PJBAMSDVYGXXJI-BZUAXINKSA-N 2 0 366.531 0.997 20 0 FCADRP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628109 664930561 /nfs/dbraw/zinc/93/05/61/664930561.db2.gz OBTATJYOZGSMQR-JKIFEVAISA-N 2 0 350.463 0.894 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(CC)C3=O)C2)CC[N@@H+]1C ZINC000983713170 664985529 /nfs/dbraw/zinc/98/55/29/664985529.db2.gz GWIPFGVSICTLEA-QUSNUVHPSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCCO2)O1 ZINC001029357675 665019039 /nfs/dbraw/zinc/01/90/39/665019039.db2.gz PEZUXKBOHMSVHY-DFBDCSAJSA-N 2 0 351.491 0.950 20 0 FCADRP CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237305067 665168689 /nfs/dbraw/zinc/16/86/89/665168689.db2.gz CKKHBIZZOCTAAF-QGZVFWFLSA-N 2 0 365.499 0.499 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1)[NH+](C)C ZINC000986320980 665209327 /nfs/dbraw/zinc/20/93/27/665209327.db2.gz LLHVJNFDEMMHMP-LTIDMASMSA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1)[NH+](C)C ZINC000986689984 665225534 /nfs/dbraw/zinc/22/55/34/665225534.db2.gz LLHVJNFDEMMHMP-TWMKSMIVSA-N 2 0 352.523 0.974 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000988099228 665275496 /nfs/dbraw/zinc/27/54/96/665275496.db2.gz ULPXHZXKOUMTFU-PMPSAXMXSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000897488213 665293864 /nfs/dbraw/zinc/29/38/64/665293864.db2.gz YBAUOSFUXSKPSW-CVEARBPZSA-N 2 0 351.495 0.419 20 0 FCADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[C@@]1(O)CCOC1 ZINC000905202687 666011971 /nfs/dbraw/zinc/01/19/71/666011971.db2.gz HOJOJSNSCQJLBY-QYZOEREBSA-N 2 0 350.459 0.245 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000907602880 666146778 /nfs/dbraw/zinc/14/67/78/666146778.db2.gz FZEHJVGIWBZAFN-KRWDZBQOSA-N 2 0 354.539 0.706 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911040408 666307626 /nfs/dbraw/zinc/30/76/26/666307626.db2.gz PFJXXJNSAXIOGZ-OAHLLOKOSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911185419 666320083 /nfs/dbraw/zinc/32/00/83/666320083.db2.gz FAPAYYIOSXCPCD-YESZJQIVSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911564295 666367030 /nfs/dbraw/zinc/36/70/30/666367030.db2.gz SJFQCPUHDBNZSE-OWCLPIDISA-N 2 0 354.495 0.250 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC000938718039 666478488 /nfs/dbraw/zinc/47/84/88/666478488.db2.gz ZJSCDAJDAVEAPH-HYVNUMGLSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912811524 666479254 /nfs/dbraw/zinc/47/92/54/666479254.db2.gz KLZZMVGYBLRYPA-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000938831759 666487756 /nfs/dbraw/zinc/48/77/56/666487756.db2.gz KOCRASIGDWRTFW-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000939880519 666530911 /nfs/dbraw/zinc/53/09/11/666530911.db2.gz PFRJTGYNZVANKL-OIISXLGYSA-N 2 0 352.523 0.878 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884531 666530925 /nfs/dbraw/zinc/53/09/25/666530925.db2.gz JRMGDRDOXISWKL-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+](C)CCCNC(=S)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000916007455 666986283 /nfs/dbraw/zinc/98/62/83/666986283.db2.gz HWFHUHPXVXLZJG-UHFFFAOYSA-N 2 0 355.552 0.443 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000994419173 667039269 /nfs/dbraw/zinc/03/92/69/667039269.db2.gz WSUWQRGMECXOJI-VQHPVUNQSA-N 2 0 350.507 0.776 20 0 FCADRP CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000997792655 667176462 /nfs/dbraw/zinc/17/64/62/667176462.db2.gz JJHUTIJUFADYKE-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000999196502 667230592 /nfs/dbraw/zinc/23/05/92/667230592.db2.gz SCSZVNGQNRYQIM-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC001002257965 667528414 /nfs/dbraw/zinc/52/84/14/667528414.db2.gz JVNNBHJTGPHLKA-MXASKKJJSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001002917024 667582595 /nfs/dbraw/zinc/58/25/95/667582595.db2.gz HFMQMYQLDWDDJY-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595290 667675673 /nfs/dbraw/zinc/67/56/73/667675673.db2.gz RDTLLBAJEZKQSN-NQNKBUKLSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001034647497 667762071 /nfs/dbraw/zinc/76/20/71/667762071.db2.gz IZOCXFMXJJISFM-QBPKDAKJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000923352710 667827308 /nfs/dbraw/zinc/82/73/08/667827308.db2.gz ZZKHGMSJXMRQAE-QMMMGPOBSA-N 2 0 362.215 0.494 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000763034731 667941313 /nfs/dbraw/zinc/94/13/13/667941313.db2.gz YYUVLOHRBRKZLH-LSDHHAIUSA-N 2 0 352.483 0.206 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000764500849 667985035 /nfs/dbraw/zinc/98/50/35/667985035.db2.gz AKDDJSONVHWUBA-HNNXBMFYSA-N 2 0 369.579 0.687 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000764504211 667985453 /nfs/dbraw/zinc/98/54/53/667985453.db2.gz PSNGOCZQBYGYNH-OAHLLOKOSA-N 2 0 353.536 0.194 20 0 FCADRP C[NH+]1CCC(C(=O)NCCN(C(=O)C2CC[NH+](C)CC2)C2CC2)CC1 ZINC000742249651 668030419 /nfs/dbraw/zinc/03/04/19/668030419.db2.gz VIEQGADLVQTJAA-UHFFFAOYSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]1CCC[NH+]1CCNC(=O)CSCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783918203 668636727 /nfs/dbraw/zinc/63/67/27/668636727.db2.gz PZGQDYDPVQABSD-HOTGVXAUSA-N 2 0 370.563 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000793704858 668943368 /nfs/dbraw/zinc/94/33/68/668943368.db2.gz CVNYIOTXASQJAZ-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000793738756 668947274 /nfs/dbraw/zinc/94/72/74/668947274.db2.gz UKWBSDDAMXVJKC-INIZCTEOSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000819287918 668994258 /nfs/dbraw/zinc/99/42/58/668994258.db2.gz SENZKGVEOHUYHB-OAHLLOKOSA-N 2 0 358.527 0.878 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804048874 669353687 /nfs/dbraw/zinc/35/36/87/669353687.db2.gz ABZLISOHJSJUEA-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CC[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1)C(N)=O ZINC000963823288 675008672 /nfs/dbraw/zinc/00/86/72/675008672.db2.gz BIMHKFWRGFHFQI-DJCJQMBPSA-N 2 0 350.507 0.998 20 0 FCADRP [NH3+][C@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CC1 ZINC000830355233 669776367 /nfs/dbraw/zinc/77/63/67/669776367.db2.gz DPFMCZXVCNNWLW-QGZVFWFLSA-N 2 0 350.507 0.955 20 0 FCADRP CN1CCN(C(=O)C2CCN(C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000831253812 669837750 /nfs/dbraw/zinc/83/77/50/669837750.db2.gz WUWCZIHLMIYSHF-UHFFFAOYSA-N 2 0 353.511 0.701 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000842050241 670630447 /nfs/dbraw/zinc/63/04/47/670630447.db2.gz RTKTZTHMPYGMJH-HNAYVOBHSA-N 2 0 350.507 0.968 20 0 FCADRP CN1CCN(S(=O)(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)CC1 ZINC000842471550 670692344 /nfs/dbraw/zinc/69/23/44/670692344.db2.gz IIIZOXQYYCVANJ-UHFFFAOYSA-N 2 0 361.556 0.005 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1Cl ZINC000842482382 670693808 /nfs/dbraw/zinc/69/38/08/670693808.db2.gz ULVFWPXGNVITRD-UHFFFAOYSA-N 2 0 363.867 0.815 20 0 FCADRP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000843071690 670773342 /nfs/dbraw/zinc/77/33/42/670773342.db2.gz BWLMFBLLYBWSHH-FUHWJXTLSA-N 2 0 370.515 0.950 20 0 FCADRP C[NH2+]Cc1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000843205136 670780414 /nfs/dbraw/zinc/78/04/14/670780414.db2.gz WHZGKJPRYDDPIU-UHFFFAOYSA-N 2 0 353.448 0.686 20 0 FCADRP CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000843386128 670810584 /nfs/dbraw/zinc/81/05/84/670810584.db2.gz IKRIKEJQJUNASK-UHFFFAOYSA-N 2 0 352.479 0.799 20 0 FCADRP O=C(CC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1)N1CC[NH2+]CC1 ZINC000844221631 670910674 /nfs/dbraw/zinc/91/06/74/670910674.db2.gz IOJABWZKUASTCB-UHFFFAOYSA-N 2 0 351.882 0.675 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706828 671139279 /nfs/dbraw/zinc/13/92/79/671139279.db2.gz QMRIPATVDOPFFQ-OLZOCXBDSA-N 2 0 351.451 0.474 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000848637349 671287942 /nfs/dbraw/zinc/28/79/42/671287942.db2.gz NNOQXGYVHXMQJO-UHFFFAOYSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000849111122 671318330 /nfs/dbraw/zinc/31/83/30/671318330.db2.gz UBSOIHKSAXWTBW-AWEZNQCLSA-N 2 0 357.499 0.982 20 0 FCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000859293600 671811245 /nfs/dbraw/zinc/81/12/45/671811245.db2.gz JBJHNJGSFCBVMS-FPCVCCKLSA-N 2 0 368.598 0.923 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)C ZINC000861570233 671973028 /nfs/dbraw/zinc/97/30/28/671973028.db2.gz MLZZOLWFOWRDIK-UHFFFAOYSA-N 2 0 354.499 0.069 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000861742343 671989540 /nfs/dbraw/zinc/98/95/40/671989540.db2.gz GVEMYLTULVMVNG-UONOGXRCSA-N 2 0 352.504 0.882 20 0 FCADRP CCN(C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)S(C)(=O)=O ZINC000903728631 675964600 /nfs/dbraw/zinc/96/46/00/675964600.db2.gz CUGYEQISPOBYQI-INIZCTEOSA-N 2 0 359.536 0.891 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758440 675968986 /nfs/dbraw/zinc/96/89/86/675968986.db2.gz JYTYXKUZYNPKNG-HOTGVXAUSA-N 2 0 359.536 0.749 20 0 FCADRP O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903914850 675981877 /nfs/dbraw/zinc/98/18/77/675981877.db2.gz LGUKSXVWAOYMFH-RYUDHWBXSA-N 2 0 360.384 0.703 20 0 FCADRP Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863550893 672136310 /nfs/dbraw/zinc/13/63/10/672136310.db2.gz DSTGHNTXECKAJI-GXTWGEPZSA-N 2 0 350.385 0.606 20 0 FCADRP O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903914848 675981960 /nfs/dbraw/zinc/98/19/60/675981960.db2.gz LGUKSXVWAOYMFH-NWDGAFQWSA-N 2 0 360.384 0.703 20 0 FCADRP C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CCO)CC2)O1 ZINC001052992345 675990146 /nfs/dbraw/zinc/99/01/46/675990146.db2.gz HXTSYQHUGKNWPR-NRSFXHEJSA-N 2 0 351.491 0.686 20 0 FCADRP C/C=C(/C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583198 676024844 /nfs/dbraw/zinc/02/48/44/676024844.db2.gz DASBBGFNLVQBFZ-HFRZQLDCSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CCCF)CC2)CC[N@@H+]1C ZINC001055615267 676027344 /nfs/dbraw/zinc/02/73/44/676027344.db2.gz RIMYNBVUJGRHHV-GDBMZVCRSA-N 2 0 356.486 0.773 20 0 FCADRP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055651918 676030047 /nfs/dbraw/zinc/03/00/47/676030047.db2.gz YMOYZBGNQXNGGC-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871816497 672575191 /nfs/dbraw/zinc/57/51/91/672575191.db2.gz FTECMFWIIYTATG-GDBMZVCRSA-N 2 0 355.508 0.624 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146510 672594699 /nfs/dbraw/zinc/59/46/99/672594699.db2.gz PLKHQBXOEFXIFW-WCXIOVBPSA-N 2 0 351.491 0.639 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879568924 673128173 /nfs/dbraw/zinc/12/81/73/673128173.db2.gz FWUUFROTWQJZND-RCCFBDPRSA-N 2 0 352.523 0.485 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)CC1 ZINC000880585721 673201564 /nfs/dbraw/zinc/20/15/64/673201564.db2.gz IXDOVRJSTHAPAK-KRWDZBQOSA-N 2 0 353.507 0.839 20 0 FCADRP C[N@H+](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000881623524 673233540 /nfs/dbraw/zinc/23/35/40/673233540.db2.gz ITCSEFUFYPWISG-OAHLLOKOSA-N 2 0 368.547 0.756 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001052394279 676122978 /nfs/dbraw/zinc/12/29/78/676122978.db2.gz VSAAPCQBABDQGG-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000883647370 673388508 /nfs/dbraw/zinc/38/85/08/673388508.db2.gz SAUAMDCSTUXZEI-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883710668 673392289 /nfs/dbraw/zinc/39/22/89/673392289.db2.gz QNJIKVQZCGFERP-QGZVFWFLSA-N 2 0 354.495 0.651 20 0 FCADRP COCC[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000884235741 673440913 /nfs/dbraw/zinc/44/09/13/673440913.db2.gz CMONCFQNFRJBPB-QGZVFWFLSA-N 2 0 350.463 0.615 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884491226 673456908 /nfs/dbraw/zinc/45/69/08/673456908.db2.gz PUXLJRUJHSFXPU-WUHRBBMRSA-N 2 0 364.412 0.571 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000884502793 673457765 /nfs/dbraw/zinc/45/77/65/673457765.db2.gz TWNBGAOFQPYZRD-WCXIOVBPSA-N 2 0 350.507 0.870 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884546180 673461001 /nfs/dbraw/zinc/46/10/01/673461001.db2.gz CHTAKOHGAUBXBP-VXGBXAGGSA-N 2 0 352.401 0.430 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884597803 673464710 /nfs/dbraw/zinc/46/47/10/673464710.db2.gz KHKAWQSGHAMNDF-VQHPVUNQSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884598330 673464737 /nfs/dbraw/zinc/46/47/37/673464737.db2.gz YKPYCJFCCLDUTL-JTDSTZFVSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884597804 673464749 /nfs/dbraw/zinc/46/47/49/673464749.db2.gz KHKAWQSGHAMNDF-WNKDZCFJSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884597841 673464761 /nfs/dbraw/zinc/46/47/61/673464761.db2.gz LTINBMJVEOWFRK-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000884598336 673464853 /nfs/dbraw/zinc/46/48/53/673464853.db2.gz YLPIVDKKZIKDOO-YYIAUSFCSA-N 2 0 352.523 0.914 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601471 673464991 /nfs/dbraw/zinc/46/49/91/673464991.db2.gz MDDVBABEAOLVFZ-GJZGRUSLSA-N 2 0 354.495 0.108 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)(C)C[NH+](C)C ZINC000884608074 673465473 /nfs/dbraw/zinc/46/54/73/673465473.db2.gz KTZWCWOHZKEOOG-LLVKDONJSA-N 2 0 367.519 0.579 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611975 673465889 /nfs/dbraw/zinc/46/58/89/673465889.db2.gz AEBCILGWQHRFPA-ZWKOTPCHSA-N 2 0 370.563 0.763 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612540 673465989 /nfs/dbraw/zinc/46/59/89/673465989.db2.gz NWDCEPATFIQTME-MSOLQXFVSA-N 2 0 368.547 0.532 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000884625468 673466934 /nfs/dbraw/zinc/46/69/34/673466934.db2.gz KDJWFNCNJKYDFQ-MRXNPFEDSA-N 2 0 350.507 0.871 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884626275 673466955 /nfs/dbraw/zinc/46/69/55/673466955.db2.gz FYAPLTILWBBHJH-ZDUSSCGKSA-N 2 0 358.433 0.338 20 0 FCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884631807 673468197 /nfs/dbraw/zinc/46/81/97/673468197.db2.gz YKZCFQTUKYHQTR-HNAYVOBHSA-N 2 0 350.507 0.810 20 0 FCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884649752 673469860 /nfs/dbraw/zinc/46/98/60/673469860.db2.gz NSRLVYJXFCVSDE-OCCSQVGLSA-N 2 0 358.433 0.481 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000884649751 673469889 /nfs/dbraw/zinc/46/98/89/673469889.db2.gz NSRLVYJXFCVSDE-JSGCOSHPSA-N 2 0 358.433 0.481 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000884669610 673471210 /nfs/dbraw/zinc/47/12/10/673471210.db2.gz AUKULSSVOWGUME-KHYOSLBOSA-N 2 0 350.507 0.953 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000884669668 673471268 /nfs/dbraw/zinc/47/12/68/673471268.db2.gz CJWJDGUGFJSPDJ-WCQYABFASA-N 2 0 363.487 0.230 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000884691393 673474032 /nfs/dbraw/zinc/47/40/32/673474032.db2.gz GIZCGUQXMUDAFH-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000884711312 673475810 /nfs/dbraw/zinc/47/58/10/673475810.db2.gz KUBLBHDAXVSQIF-SFHVURJKSA-N 2 0 350.507 0.969 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884721174 673476718 /nfs/dbraw/zinc/47/67/18/673476718.db2.gz BZRVPNWCSSVHLV-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884736861 673478689 /nfs/dbraw/zinc/47/86/89/673478689.db2.gz CGGLBQIPUBSDSJ-OLZOCXBDSA-N 2 0 366.428 0.676 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878945 673487959 /nfs/dbraw/zinc/48/79/59/673487959.db2.gz OEPBZDKAUAKANA-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000884909086 673490543 /nfs/dbraw/zinc/49/05/43/673490543.db2.gz OHMFPEFGVFCGOX-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967445 673494134 /nfs/dbraw/zinc/49/41/34/673494134.db2.gz FSPJWFZDDVTOQW-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007947 673497372 /nfs/dbraw/zinc/49/73/72/673497372.db2.gz FWPPGWGRYKEXFW-BJWYYQGGSA-N 2 0 350.507 0.968 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139446 673505154 /nfs/dbraw/zinc/50/51/54/673505154.db2.gz IWUILXRLKZYHLH-HNNXBMFYSA-N 2 0 354.495 0.062 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285209 673511983 /nfs/dbraw/zinc/51/19/83/673511983.db2.gz NAKOTYUBSSRAAS-AWEZNQCLSA-N 2 0 360.449 0.538 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887079161 673620571 /nfs/dbraw/zinc/62/05/71/673620571.db2.gz LJUXPEDUSLNHSJ-QFBILLFUSA-N 2 0 350.507 0.779 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887080614 673620730 /nfs/dbraw/zinc/62/07/30/673620730.db2.gz BLVUVECPQIYIDS-LJQANCHMSA-N 2 0 350.507 0.923 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887080802 673620740 /nfs/dbraw/zinc/62/07/40/673620740.db2.gz FYVKGSOCKGELSK-APWZRJJASA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)C[N@H+](CCN(C)C)CCn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887422975 673630481 /nfs/dbraw/zinc/63/04/81/673630481.db2.gz FZTCECSAHDOWHJ-KRWDZBQOSA-N 2 0 351.543 0.721 20 0 FCADRP CN1CC[NH+](CCCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478574 673754168 /nfs/dbraw/zinc/75/41/68/673754168.db2.gz UUFMFSSILKYFCS-INIZCTEOSA-N 2 0 351.495 0.420 20 0 FCADRP CN1CC[NH+](CCCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478576 673754186 /nfs/dbraw/zinc/75/41/86/673754186.db2.gz UUFMFSSILKYFCS-MRXNPFEDSA-N 2 0 351.495 0.420 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967751 673771493 /nfs/dbraw/zinc/77/14/93/673771493.db2.gz YQUOUSYOVILKFD-GDBMZVCRSA-N 2 0 374.551 0.224 20 0 FCADRP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925570064 673793831 /nfs/dbraw/zinc/79/38/31/673793831.db2.gz UTGVLQPRYMDODS-ZNIOLIJQSA-N 2 0 369.531 0.546 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC[N@@H+]1C ZINC001011210748 675377432 /nfs/dbraw/zinc/37/74/32/675377432.db2.gz NODRTNASTJOWDC-GVDBMIGSSA-N 2 0 352.523 0.974 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001016530941 675402170 /nfs/dbraw/zinc/40/21/70/675402170.db2.gz FQLCMEVZDRLVMS-SJJHQCBESA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C)CC[N@@H+]1C ZINC001020301758 675440315 /nfs/dbraw/zinc/44/03/15/675440315.db2.gz WGFVZFIHRWVJDZ-SMLCLMEVSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)CC[N@@H+]1C ZINC001040211146 675460113 /nfs/dbraw/zinc/46/01/13/675460113.db2.gz ULEDLZLEBHDJSS-GPMSIDNRSA-N 2 0 350.507 0.729 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938505 675673927 /nfs/dbraw/zinc/67/39/27/675673927.db2.gz DEKKNDXDZUODTD-MDZRGWNJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN(CCNC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900687644 675707557 /nfs/dbraw/zinc/70/75/57/675707557.db2.gz VQDXCYBPVAKZFP-UHFFFAOYSA-N 2 0 353.555 0.546 20 0 FCADRP C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000900696621 675708691 /nfs/dbraw/zinc/70/86/91/675708691.db2.gz VWEKSRXCBOZMSY-WWDZGPRUSA-N 2 0 352.523 0.630 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000900754936 675714000 /nfs/dbraw/zinc/71/40/00/675714000.db2.gz LQRFMPZBXHXZBN-UHFFFAOYSA-N 2 0 354.539 0.756 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000900963671 675735453 /nfs/dbraw/zinc/73/54/53/675735453.db2.gz BSTXRUPIXIHMNW-GOSISDBHSA-N 2 0 352.523 0.583 20 0 FCADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299412 675780520 /nfs/dbraw/zinc/78/05/20/675780520.db2.gz PYQFTQYFQSRBAF-IRXDYDNUSA-N 2 0 351.491 0.689 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897484448 1192183544 /nfs/dbraw/zinc/18/35/44/1192183544.db2.gz PLSIWTOKVFKJKV-HOTGVXAUSA-N 2 0 371.485 0.719 20 0 FCADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897488755 1192193291 /nfs/dbraw/zinc/19/32/91/1192193291.db2.gz LJCYVKUPSGIJLG-HUUCEWRRSA-N 2 0 356.430 0.520 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001746134735 1192202253 /nfs/dbraw/zinc/20/22/53/1192202253.db2.gz GLKVKSLSTWTZAL-HNNXBMFYSA-N 2 0 365.526 0.527 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001772503060 1167729164 /nfs/dbraw/zinc/72/91/64/1167729164.db2.gz PMUFSADORQZEOM-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC000969208225 1167814104 /nfs/dbraw/zinc/81/41/04/1167814104.db2.gz JUWUEJKMJSETKR-LHKMKVQPSA-N 2 0 362.518 0.869 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC(=O)NC2CCOCC2)C1 ZINC000969702951 1168065223 /nfs/dbraw/zinc/06/52/23/1168065223.db2.gz CJBIIQPSQJMDOJ-CKEIUWERSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CN(CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192660 1168160731 /nfs/dbraw/zinc/16/07/31/1168160731.db2.gz KQRWVCZKCVTOAL-RYQLBKOJSA-N 2 0 361.490 0.216 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001020614157 1168162239 /nfs/dbraw/zinc/16/22/39/1168162239.db2.gz LTRWYWSATUIWON-MKXGPGLRSA-N 2 0 370.497 0.801 20 0 FCADRP CCn1nnc(C)c1CN1CC([C@@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000969958237 1168235649 /nfs/dbraw/zinc/23/56/49/1168235649.db2.gz KBIVVKVPJZNFFY-PBFPGSCMSA-N 2 0 364.494 0.262 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104256786 1168815978 /nfs/dbraw/zinc/81/59/78/1168815978.db2.gz QBYJIHFFCFTLLE-ZACQAIPSSA-N 2 0 370.513 0.973 20 0 FCADRP CO[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001212036012 1192341136 /nfs/dbraw/zinc/34/11/36/1192341136.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 0 368.522 0.541 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491462 1169425733 /nfs/dbraw/zinc/42/57/33/1169425733.db2.gz XLPOSXIWRXVPSY-HQRMLTQVSA-N 2 0 362.518 0.825 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751819 1169980423 /nfs/dbraw/zinc/98/04/23/1169980423.db2.gz MIJPOCRJOMWZQN-RCCFBDPRSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001104350938 1170226369 /nfs/dbraw/zinc/22/63/69/1170226369.db2.gz RLMUYEKKPAOZLC-OWCLPIDISA-N 2 0 368.522 0.293 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415254 1170371771 /nfs/dbraw/zinc/37/17/71/1170371771.db2.gz PDQKMESLWQRRMU-JJXSEGSLSA-N 2 0 365.478 0.295 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104362622 1170487556 /nfs/dbraw/zinc/48/75/56/1170487556.db2.gz AFYVGECFKSKFTM-RBSFLKMASA-N 2 0 366.506 0.596 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000971568300 1170539667 /nfs/dbraw/zinc/53/96/67/1170539667.db2.gz SAXOWZVFMIUPLW-FHLIZLRMSA-N 2 0 371.485 0.915 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000971571926 1170552698 /nfs/dbraw/zinc/55/26/98/1170552698.db2.gz XEWNYXTZGBFOBU-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001022103698 1170656380 /nfs/dbraw/zinc/65/63/80/1170656380.db2.gz LETJWXOKMBFYPM-APIJFGDWSA-N 2 0 363.510 0.548 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218758 1170767010 /nfs/dbraw/zinc/76/70/10/1170767010.db2.gz DXCVSDDNCGIDPD-IXDOHACOSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1 ZINC001022257245 1170809937 /nfs/dbraw/zinc/80/99/37/1170809937.db2.gz XFVUXKSPEPJRBK-LZLYRXPVSA-N 2 0 367.453 0.959 20 0 FCADRP C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@H+](C)CC1 ZINC000891766109 1170850571 /nfs/dbraw/zinc/85/05/71/1170850571.db2.gz RJJRAAOINCOZIE-XZDPQHSOSA-N 2 0 363.462 0.213 20 0 FCADRP Cn1ccnc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001022377430 1170896506 /nfs/dbraw/zinc/89/65/06/1170896506.db2.gz MMXZGITWJFPBRQ-HRCADAONSA-N 2 0 359.474 0.506 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104385054 1170899050 /nfs/dbraw/zinc/89/90/50/1170899050.db2.gz YNFJEZVPUGMHRS-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440305 1171035283 /nfs/dbraw/zinc/03/52/83/1171035283.db2.gz KEYVGTDBZUAWGA-RXVVDRJESA-N 2 0 374.529 0.766 20 0 FCADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001691367018 1171211364 /nfs/dbraw/zinc/21/13/64/1171211364.db2.gz CUSRDOTXKHQIEJ-CVEARBPZSA-N 2 0 350.507 0.777 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001691773506 1171262381 /nfs/dbraw/zinc/26/23/81/1171262381.db2.gz CNVAUYZFCYVDMJ-KZNAEPCWSA-N 2 0 365.518 0.962 20 0 FCADRP [NH3+][C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000892030093 1171492555 /nfs/dbraw/zinc/49/25/55/1171492555.db2.gz BMNSRUCRNSXLOI-JONQDZQNSA-N 2 0 359.430 0.263 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892155791 1171658344 /nfs/dbraw/zinc/65/83/44/1171658344.db2.gz KGCCJYZOTJYTSF-ZDUSSCGKSA-N 2 0 373.448 0.499 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892232336 1171781974 /nfs/dbraw/zinc/78/19/74/1171781974.db2.gz DJQLYEAZPKYAKX-SFHVURJKSA-N 2 0 367.538 0.472 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000892262631 1171844852 /nfs/dbraw/zinc/84/48/52/1171844852.db2.gz DPMAXYBYLVBDSK-WBVHZDCISA-N 2 0 365.522 0.713 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237734 1171876448 /nfs/dbraw/zinc/87/64/48/1171876448.db2.gz RBLIFAHDZZGWFL-BRWVUGGUSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083247678 1172002969 /nfs/dbraw/zinc/00/29/69/1172002969.db2.gz AGOFCJKKEUUMLR-RYQLBKOJSA-N 2 0 361.490 0.216 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211557521 1172071443 /nfs/dbraw/zinc/07/14/43/1172071443.db2.gz UQAUVKYDHAQTGL-IPMKNSEASA-N 2 0 370.497 0.943 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557642 1172075167 /nfs/dbraw/zinc/07/51/67/1172075167.db2.gz ZFEBZFWCMOXAIJ-RCCFBDPRSA-N 2 0 358.486 0.753 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000989053650 1192663634 /nfs/dbraw/zinc/66/36/34/1192663634.db2.gz HRURCGFQVRCDDZ-PBHICJAKSA-N 2 0 361.490 0.800 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000989065709 1192669645 /nfs/dbraw/zinc/66/96/45/1192669645.db2.gz RYQJKHXETNFCEH-YVSFHVDLSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897560373 1192810126 /nfs/dbraw/zinc/81/01/26/1192810126.db2.gz SABNTBVMFSHRHE-GJZGRUSLSA-N 2 0 357.458 0.472 20 0 FCADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688461 1192821548 /nfs/dbraw/zinc/82/15/48/1192821548.db2.gz LZZQPQLJEALPPH-PBHICJAKSA-N 2 0 370.457 0.861 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1CC1 ZINC000897632331 1192838254 /nfs/dbraw/zinc/83/82/54/1192838254.db2.gz MYZQHIKNZMMIEO-HNNXBMFYSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001075943485 1192870716 /nfs/dbraw/zinc/87/07/16/1192870716.db2.gz SLNGRTQTFHBRQX-BZZMCLGOSA-N 2 0 374.485 0.137 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562496 1192879023 /nfs/dbraw/zinc/87/90/23/1192879023.db2.gz ZMNUXBUWEBLUHG-SQNIBIBYSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001691570389 1192887032 /nfs/dbraw/zinc/88/70/32/1192887032.db2.gz DMTLZNZTXGVLEF-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP Cc1cn([C@H]2C[C@H]([NH2+]C3CCC([NH+](C)C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001168305824 1192890719 /nfs/dbraw/zinc/89/07/19/1192890719.db2.gz RHBGGBOTKJHUKC-UIEKQHFFSA-N 2 0 366.462 0.368 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000550638700 1192893462 /nfs/dbraw/zinc/89/34/62/1192893462.db2.gz CTRWASHKZYALMY-UHFFFAOYSA-N 2 0 368.522 0.404 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691441103 1179077704 /nfs/dbraw/zinc/07/77/04/1179077704.db2.gz YPTWIDTXKWJVLF-ARILJUKYSA-N 2 0 367.494 0.045 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001067487772 1179288611 /nfs/dbraw/zinc/28/86/11/1179288611.db2.gz WVHRZVWYWVFRBP-KBAYOESNSA-N 2 0 364.534 0.975 20 0 FCADRP Cc1ncccc1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000329356983 1179300052 /nfs/dbraw/zinc/30/00/52/1179300052.db2.gz FXRMUJOSZHOJBL-UHFFFAOYSA-N 2 0 373.501 0.700 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001083259875 1179330700 /nfs/dbraw/zinc/33/07/00/1179330700.db2.gz WLXVMYBASUHITO-DLBZAZTESA-N 2 0 371.441 0.071 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CCC1 ZINC000972640829 1180099989 /nfs/dbraw/zinc/09/99/89/1180099989.db2.gz UFPZWDVWLQNXNY-HZPDHXFCSA-N 2 0 360.502 0.626 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001023705603 1180128064 /nfs/dbraw/zinc/12/80/64/1180128064.db2.gz ACDOXVMUYWAMKT-BZUAXINKSA-N 2 0 366.506 0.031 20 0 FCADRP Cn1[nH]c(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)nc1=O ZINC001112518750 1180850821 /nfs/dbraw/zinc/85/08/21/1180850821.db2.gz ANAGWFVCWDZJOE-KSSFIOAISA-N 2 0 364.494 0.169 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001024448386 1181181135 /nfs/dbraw/zinc/18/11/35/1181181135.db2.gz LNWFOVBHLWJUFM-IXDOHACOSA-N 2 0 365.522 0.713 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1)C1CC1 ZINC001024492626 1181240908 /nfs/dbraw/zinc/24/09/08/1181240908.db2.gz HEMBMVIGAWSWSF-ZACQAIPSSA-N 2 0 371.441 0.205 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1c2ccccc2OCCC1=O ZINC000728611585 1181317322 /nfs/dbraw/zinc/31/73/22/1181317322.db2.gz PUFVYEJXZKWTHB-UHFFFAOYSA-N 2 0 362.474 0.754 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)NCC[NH+]3CCC(O)CC3)CC2)CC1 ZINC000892522333 1181724908 /nfs/dbraw/zinc/72/49/08/1181724908.db2.gz XGNUHTUWDYHHNC-UHFFFAOYSA-N 2 0 367.538 0.301 20 0 FCADRP CO[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000892543399 1181845634 /nfs/dbraw/zinc/84/56/34/1181845634.db2.gz DPZQSEJCJGHDNM-QGZVFWFLSA-N 2 0 363.462 0.608 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)C[C@H]32)CC1 ZINC000972990372 1181851503 /nfs/dbraw/zinc/85/15/03/1181851503.db2.gz VRQUTDAQYYHLBX-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892566183 1181872549 /nfs/dbraw/zinc/87/25/49/1181872549.db2.gz YZBWMNXQUQTWMP-WOVMCDHWSA-N 2 0 367.538 0.993 20 0 FCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892610817 1181928673 /nfs/dbraw/zinc/92/86/73/1181928673.db2.gz FSGAJDMDXABJSW-GOSISDBHSA-N 2 0 364.490 0.813 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104589305 1182256583 /nfs/dbraw/zinc/25/65/83/1182256583.db2.gz WLHKTDRMUBNTGL-FXUDXRNXSA-N 2 0 363.510 0.515 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892685590 1182277078 /nfs/dbraw/zinc/27/70/78/1182277078.db2.gz ALTUVSSKWARCSB-MSOLQXFVSA-N 2 0 368.522 0.728 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001104665865 1182352195 /nfs/dbraw/zinc/35/21/95/1182352195.db2.gz GOLZVSHXFUXCFQ-KFWWJZLASA-N 2 0 369.510 0.376 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776794 1182497562 /nfs/dbraw/zinc/49/75/62/1182497562.db2.gz IASSIAPRVSAYST-SJORKVTESA-N 2 0 368.522 0.897 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000892774681 1182499684 /nfs/dbraw/zinc/49/96/84/1182499684.db2.gz UNVLZJHJNFRIOR-IRXDYDNUSA-N 2 0 366.506 0.509 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001112522779 1182613002 /nfs/dbraw/zinc/61/30/02/1182613002.db2.gz NHPOUJWNDYOCJD-KSSFIOAISA-N 2 0 363.462 0.783 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792916 1182844525 /nfs/dbraw/zinc/84/45/25/1182844525.db2.gz KSJJFRGBCJISOJ-WJQMWINMSA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC[C@@H]4C)C[C@H]32)CC[N@@H+]1C ZINC001025793293 1182845190 /nfs/dbraw/zinc/84/51/90/1182845190.db2.gz DIFDGGPZDMRGFS-CFIJBQEISA-N 2 0 362.518 0.774 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809482 1182928947 /nfs/dbraw/zinc/92/89/47/1182928947.db2.gz HNPQPPLEQMNXHE-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908436 1182990512 /nfs/dbraw/zinc/99/05/12/1182990512.db2.gz WXRSVHSLOMWELG-HZPDHXFCSA-N 2 0 366.510 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104908445 1182990874 /nfs/dbraw/zinc/99/08/74/1182990874.db2.gz XHXFWUULVJVMOC-QLFBSQMISA-N 2 0 364.494 0.024 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104938665 1183012396 /nfs/dbraw/zinc/01/23/96/1183012396.db2.gz AIVDRJPHFBWVOB-KZNAEPCWSA-N 2 0 365.522 0.660 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001105067198 1183100091 /nfs/dbraw/zinc/10/00/91/1183100091.db2.gz REDNXEAJPMTFAC-HZPDHXFCSA-N 2 0 366.506 0.550 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066907 1183101300 /nfs/dbraw/zinc/10/13/00/1183101300.db2.gz GBRVVMDLTKXYLA-RBSFLKMASA-N 2 0 369.510 0.245 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC000974525877 1183298750 /nfs/dbraw/zinc/29/87/50/1183298750.db2.gz FVOKSMIKBVUBOO-UWWQBHOKSA-N 2 0 367.453 0.959 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974589197 1183355770 /nfs/dbraw/zinc/35/57/70/1183355770.db2.gz DONXPXFESOPZGE-BRWVUGGUSA-N 2 0 360.502 0.626 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)[NH+](C)C ZINC000974683341 1183443187 /nfs/dbraw/zinc/44/31/87/1183443187.db2.gz KCRQJWBZGVINNZ-KZNAEPCWSA-N 2 0 364.534 0.974 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CC1 ZINC000975759159 1185726324 /nfs/dbraw/zinc/72/63/24/1185726324.db2.gz PLPCAFNACLIDSD-VDZJLULYSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760537 1185732049 /nfs/dbraw/zinc/73/20/49/1185732049.db2.gz KMHPGNHRERHXJV-BBWFWOEESA-N 2 0 362.518 0.872 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530413 1186132902 /nfs/dbraw/zinc/13/29/02/1186132902.db2.gz SUNYBUSUECJEEC-ZWOKBUDYSA-N 2 0 367.534 0.944 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC000981778532 1186519328 /nfs/dbraw/zinc/51/93/28/1186519328.db2.gz LIAJZRVJZFPCLQ-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102274 1187617748 /nfs/dbraw/zinc/61/77/48/1187617748.db2.gz JJJOWINDWQZENT-NILFDRSVSA-N 2 0 364.494 0.647 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000983016247 1187815955 /nfs/dbraw/zinc/81/59/55/1187815955.db2.gz STPYDASXBIQSCL-YESZJQIVSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CCn3ccnc3)C2)CC[N@@H+]1C ZINC000983032793 1187817537 /nfs/dbraw/zinc/81/75/37/1187817537.db2.gz KVVOHZARJXNYOR-YESZJQIVSA-N 2 0 361.490 0.968 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001269415650 1187847191 /nfs/dbraw/zinc/84/71/91/1187847191.db2.gz HQPXKSSWZLYXPX-ZIAGYGMSSA-N 2 0 362.478 0.544 20 0 FCADRP CN1CCC[C@H]1C(=O)N1C[C@@]2(F)C(=O)N(CCn3ccnc3)C[C@@]2(F)C1 ZINC001270155833 1188033870 /nfs/dbraw/zinc/03/38/70/1188033870.db2.gz VMVKQJDOKNGWTD-IAOVAPTHSA-N 2 0 367.400 0.078 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@]23CC(=O)N(CCn2ccnc2)C3)C1 ZINC001270488733 1188171335 /nfs/dbraw/zinc/17/13/35/1188171335.db2.gz DJHPKTFRYONEHI-APWZRJJASA-N 2 0 359.474 0.818 20 0 FCADRP C[C@@H](C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)[NH+]1CCCC1 ZINC001270491752 1188172343 /nfs/dbraw/zinc/17/23/43/1188172343.db2.gz XLEWSCBUQMTSDG-HNAYVOBHSA-N 2 0 364.490 0.400 20 0 FCADRP CCCn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000983713443 1188280435 /nfs/dbraw/zinc/28/04/35/1188280435.db2.gz KVUCZSZLXYSJKE-YHUYYLMFSA-N 2 0 363.510 0.798 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn(C)n1)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001029111683 1188293127 /nfs/dbraw/zinc/29/31/27/1188293127.db2.gz MRPWNPWHTHCCFA-CKEIUWERSA-N 2 0 364.494 0.251 20 0 FCADRP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000550355841 1188342672 /nfs/dbraw/zinc/34/26/72/1188342672.db2.gz JCRITHBBQAELDQ-DOTOQJQBSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983809993 1188349219 /nfs/dbraw/zinc/34/92/19/1188349219.db2.gz XIVDIWRIOCSYHV-ZACQAIPSSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)c1nnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)o1 ZINC000984011373 1189369826 /nfs/dbraw/zinc/36/98/26/1189369826.db2.gz CIYVSLAWXFBOGW-KBUPBQIOSA-N 2 0 365.478 0.897 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528996 1189383277 /nfs/dbraw/zinc/38/32/77/1189383277.db2.gz LICMCQWMVFLFKN-BBWFWOEESA-N 2 0 362.474 0.185 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550455409 1189489381 /nfs/dbraw/zinc/48/93/81/1189489381.db2.gz KIVRJRYSGSASKH-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCN1CCNC1=O ZINC001087570005 1189605022 /nfs/dbraw/zinc/60/50/22/1189605022.db2.gz WRBFUMJDIPDKNK-BBWFWOEESA-N 2 0 365.522 0.854 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CC(=O)Nc1cnccn1 ZINC001087578088 1189617864 /nfs/dbraw/zinc/61/78/64/1189617864.db2.gz ZYYPHMYLDRMUQV-LVQVYYBASA-N 2 0 374.489 0.724 20 0 FCADRP CCN1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550518745 1189810576 /nfs/dbraw/zinc/81/05/76/1189810576.db2.gz IIVPLWJCZVWMFN-HOTGVXAUSA-N 2 0 367.538 0.070 20 0 FCADRP CN(c1ccccc1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000895314854 1189832779 /nfs/dbraw/zinc/83/27/79/1189832779.db2.gz RVRTVLCDTUISGI-IAGOWNOFSA-N 2 0 373.501 0.236 20 0 FCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895463697 1189858955 /nfs/dbraw/zinc/85/89/55/1189858955.db2.gz ANESIKBLOAQPNC-OALUTQOASA-N 2 0 359.470 0.724 20 0 FCADRP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)N1CCC1 ZINC001087968845 1190028849 /nfs/dbraw/zinc/02/88/49/1190028849.db2.gz NRMZKNKFWCAPDD-FGTMMUONSA-N 2 0 360.502 0.341 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469090 1190064339 /nfs/dbraw/zinc/06/43/39/1190064339.db2.gz UWCIXMDFVYEOOW-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ncnn3C)C[C@H]2C1 ZINC001087986313 1190114824 /nfs/dbraw/zinc/11/48/24/1190114824.db2.gz FYZFJDQAFCCHEU-IKGGRYGDSA-N 2 0 360.506 0.970 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993219 1190144184 /nfs/dbraw/zinc/14/41/84/1190144184.db2.gz FODUDJIBCDXJNQ-ZIFCJYIRSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994840 1190148756 /nfs/dbraw/zinc/14/87/56/1190148756.db2.gz FSHLWCSXWNKBNL-CVEARBPZSA-N 2 0 363.506 0.276 20 0 FCADRP O=C([C@H]1CCc2nccn2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018578 1190231539 /nfs/dbraw/zinc/23/15/39/1190231539.db2.gz CVIQKLBEACFHNB-IKGGRYGDSA-N 2 0 369.473 0.518 20 0 FCADRP CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000985830198 1190827988 /nfs/dbraw/zinc/82/79/88/1190827988.db2.gz YRECPOWWLGZYFM-IAGOWNOFSA-N 2 0 365.522 0.618 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132858 1190902879 /nfs/dbraw/zinc/90/28/79/1190902879.db2.gz IKJVAIRZQJTDFO-ZACQAIPSSA-N 2 0 362.518 0.729 20 0 FCADRP CN1CCO[C@H](C(=O)N2CCO[C@@H]3CN(CCOCC4CCC4)C[C@@H]32)C1 ZINC001217595079 1224115883 /nfs/dbraw/zinc/11/58/83/1224115883.db2.gz KRTCCQHQWJUSQF-KSZLIROESA-N 2 0 367.490 0.045 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000262770708 1190930430 /nfs/dbraw/zinc/93/04/30/1190930430.db2.gz IRUCVXFISNJORW-UHFFFAOYSA-N 2 0 370.457 0.277 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257736 1190933507 /nfs/dbraw/zinc/93/35/07/1190933507.db2.gz BKJWJQLYEGKYTE-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)C1CC1 ZINC000986260578 1190936129 /nfs/dbraw/zinc/93/61/29/1190936129.db2.gz TVSXPXFWBVYSQU-ZIFCJYIRSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986368140 1190971337 /nfs/dbraw/zinc/97/13/37/1190971337.db2.gz VWDLEINJRNUXDC-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1 ZINC000986429627 1190988645 /nfs/dbraw/zinc/98/86/45/1190988645.db2.gz XRNMIJDZCKZLEZ-ZACQAIPSSA-N 2 0 360.502 0.341 20 0 FCADRP O=C(CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)[C@@H]2C1)N1CCC1 ZINC001075882315 1191059245 /nfs/dbraw/zinc/05/92/45/1191059245.db2.gz GHDACIFUPSQOPS-HRCADAONSA-N 2 0 357.458 0.526 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNC(=O)Cn3ccnc3)C2)CC[N@@H+]1C ZINC001059734650 1191071315 /nfs/dbraw/zinc/07/13/15/1191071315.db2.gz YOXPCEOMOTWSNG-YESZJQIVSA-N 2 0 361.490 0.968 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988197975 1191161593 /nfs/dbraw/zinc/16/15/93/1191161593.db2.gz QUEKDEIYZCJGSO-PVAVHDDUSA-N 2 0 360.502 0.530 20 0 FCADRP CNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574880 1191214633 /nfs/dbraw/zinc/21/46/33/1191214633.db2.gz WMHPCRAHYGDBPR-KBEGMRNHSA-N 2 0 366.506 0.058 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218083043 1224139609 /nfs/dbraw/zinc/13/96/09/1224139609.db2.gz NWQQLCIXKBNTRI-LLVKDONJSA-N 2 0 364.446 0.672 20 0 FCADRP CC(C)COCCN1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161984 1224144442 /nfs/dbraw/zinc/14/44/42/1224144442.db2.gz KGEHGECIGLVDRJ-XMTFNYHQSA-N 2 0 369.506 0.290 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691581920 1193735381 /nfs/dbraw/zinc/73/53/81/1193735381.db2.gz IKNWFSNLFPINIS-BBWFWOEESA-N 2 0 352.523 0.975 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691589424 1193757063 /nfs/dbraw/zinc/75/70/63/1193757063.db2.gz PDGIIIAVHXUNOP-USXIJHARSA-N 2 0 350.507 0.727 20 0 FCADRP Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)n1 ZINC001083465370 1193762073 /nfs/dbraw/zinc/76/20/73/1193762073.db2.gz BDEFHFKZWRGOKH-OTWHNJEPSA-N 2 0 358.486 0.702 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)nc2)CC1 ZINC001218515993 1224165976 /nfs/dbraw/zinc/16/59/76/1224165976.db2.gz PYFSLWNVQIBLKD-FUHWJXTLSA-N 2 0 372.517 0.846 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691598797 1193787858 /nfs/dbraw/zinc/78/78/58/1193787858.db2.gz FUAUVHMVNILGTK-HRCADAONSA-N 2 0 350.507 0.871 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533232 1224168665 /nfs/dbraw/zinc/16/86/65/1224168665.db2.gz LLHZENCQQGVXGZ-STQMWFEESA-N 2 0 373.482 0.584 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCc3nccn3C)C2)C1=O ZINC001691609161 1193799757 /nfs/dbraw/zinc/79/97/57/1193799757.db2.gz AYBUZUMLJGIUPJ-ARFHVFGLSA-N 2 0 361.490 0.848 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000550956522 1193822217 /nfs/dbraw/zinc/82/22/17/1193822217.db2.gz DZGLTRJCBUZLCM-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000551111855 1193833270 /nfs/dbraw/zinc/83/32/70/1193833270.db2.gz PGWGJWYTNDCNGI-HOTGVXAUSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655365 1193859987 /nfs/dbraw/zinc/85/99/87/1193859987.db2.gz HUNCOJLYUYGYOD-HBXLWWENSA-N 2 0 369.550 0.923 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nccnc1OCc1ccccc1 ZINC001218568611 1224174235 /nfs/dbraw/zinc/17/42/35/1224174235.db2.gz LHMOXJUMFANKPY-INIZCTEOSA-N 2 0 370.457 0.745 20 0 FCADRP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)no1 ZINC001075976261 1193890459 /nfs/dbraw/zinc/89/04/59/1193890459.db2.gz RRWGPFHROMZSFI-VBNZEHGJSA-N 2 0 361.446 0.161 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105668047 1193946579 /nfs/dbraw/zinc/94/65/79/1193946579.db2.gz HCJNIPAHPYKXAZ-OHDICMOHSA-N 2 0 368.522 0.040 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552750410 1193949842 /nfs/dbraw/zinc/94/98/42/1193949842.db2.gz XHFSBEGBOOSXAO-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000552969374 1193961888 /nfs/dbraw/zinc/96/18/88/1193961888.db2.gz JIHHNIDBDHMKFU-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP CCOc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218620848 1224183180 /nfs/dbraw/zinc/18/31/80/1224183180.db2.gz PACWBCFOPHPVMX-STQMWFEESA-N 2 0 364.450 0.261 20 0 FCADRP Nc1cn(C(=O)[C@@H]([NH3+])C2CCCCC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620332 1224183210 /nfs/dbraw/zinc/18/32/10/1224183210.db2.gz GQOLSVHBKDSGAO-SFHVURJKSA-N 2 0 361.490 0.851 20 0 FCADRP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cnc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105670103 1193998418 /nfs/dbraw/zinc/99/84/18/1193998418.db2.gz XTOPXPGJTPURBA-ZAWLATJESA-N 2 0 364.490 0.873 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000553619407 1194010606 /nfs/dbraw/zinc/01/06/06/1194010606.db2.gz LVISOMZGWXZJLI-UHFFFAOYSA-N 2 0 368.522 0.545 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734978 1194018088 /nfs/dbraw/zinc/01/80/88/1194018088.db2.gz NRZBMFBVWXRRSP-DLBZAZTESA-N 2 0 366.506 0.014 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000898594620 1194048600 /nfs/dbraw/zinc/04/86/00/1194048600.db2.gz PVPHBEPXNNGTQJ-MRXNPFEDSA-N 2 0 365.522 0.666 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000898665610 1194059788 /nfs/dbraw/zinc/05/97/88/1194059788.db2.gz KFLTXMYAMLWUOR-HXUWFJFHSA-N 2 0 373.497 0.980 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191466 1194086287 /nfs/dbraw/zinc/08/62/87/1194086287.db2.gz XYTKZJBIMYEIBH-XLIONFOSSA-N 2 0 358.486 0.868 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105675765 1194104971 /nfs/dbraw/zinc/10/49/71/1194104971.db2.gz RHKOEWNDEKAWDD-JYBIWHBTSA-N 2 0 367.534 0.821 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696107 1224198430 /nfs/dbraw/zinc/19/84/30/1224198430.db2.gz NLALXENMESKDHB-LRDDRELGSA-N 2 0 362.478 0.238 20 0 FCADRP Nc1cccnc1N(C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC[NH2+]CC1 ZINC001218695922 1224198554 /nfs/dbraw/zinc/19/85/54/1224198554.db2.gz KDIYQNAYCNTGJN-QGZVFWFLSA-N 2 0 372.517 0.823 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]21 ZINC001076070514 1194292282 /nfs/dbraw/zinc/29/22/82/1194292282.db2.gz MWPATDHUDLVHEU-KZIZELGASA-N 2 0 371.485 0.279 20 0 FCADRP O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218744285 1224210402 /nfs/dbraw/zinc/21/04/02/1224210402.db2.gz DHZKDIUHGIXQGN-AWEZNQCLSA-N 2 0 356.430 0.371 20 0 FCADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)cn2)CC1 ZINC001218724782 1224206482 /nfs/dbraw/zinc/20/64/82/1224206482.db2.gz LBFQCVGNKVAMFE-OAHLLOKOSA-N 2 0 372.473 0.063 20 0 FCADRP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076107301 1194309267 /nfs/dbraw/zinc/30/92/67/1194309267.db2.gz PPNVOKAAOWZBCF-CGTJXYLNSA-N 2 0 371.485 0.959 20 0 FCADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001218730474 1224207725 /nfs/dbraw/zinc/20/77/25/1224207725.db2.gz BOFHIGBDCGFLDC-GVDBMIGSSA-N 2 0 359.474 0.977 20 0 FCADRP O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218736584 1224207848 /nfs/dbraw/zinc/20/78/48/1224207848.db2.gz MUQIURKULLYCNJ-CQSZACIVSA-N 2 0 356.430 0.371 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241227 1194362531 /nfs/dbraw/zinc/36/25/31/1194362531.db2.gz HNLQWJAHCGADEV-OWCLPIDISA-N 2 0 362.474 0.152 20 0 FCADRP Cc1ncc2n1CC[C@H](C(=O)N1CC[C@H]3CN(Cc4cnnn4C)C[C@H]31)C2 ZINC001076245404 1194370798 /nfs/dbraw/zinc/37/07/98/1194370798.db2.gz ATVQEQKZEMIRMF-RLFYNMQTSA-N 2 0 369.473 0.615 20 0 FCADRP NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001218769319 1224216139 /nfs/dbraw/zinc/21/61/39/1224216139.db2.gz HCFFYRURSBEKDA-AGKHESDQSA-N 2 0 372.454 0.325 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001076398779 1194455193 /nfs/dbraw/zinc/45/51/93/1194455193.db2.gz FLXZCZVDJALADG-OKZBNKHCSA-N 2 0 362.518 0.872 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1CN1CCOCC1 ZINC001218847716 1224238653 /nfs/dbraw/zinc/23/86/53/1224238653.db2.gz OVKQNNZJDPHMDQ-QGZVFWFLSA-N 2 0 361.490 0.208 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874602 1224244959 /nfs/dbraw/zinc/24/49/59/1224244959.db2.gz ZQWUSXMGHIXNME-KRWDZBQOSA-N 2 0 358.446 0.033 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002952 1195138208 /nfs/dbraw/zinc/13/82/08/1195138208.db2.gz MZIFCTTWAJPJJI-IPMKNSEASA-N 2 0 365.518 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023515 1195160670 /nfs/dbraw/zinc/16/06/70/1195160670.db2.gz DMTOCBRAAOPXDJ-UTRMSSBJSA-N 2 0 360.502 0.754 20 0 FCADRP Cc1noc(C)c1CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971032 1224275310 /nfs/dbraw/zinc/27/53/10/1224275310.db2.gz RIOOTJRJTUVVCI-DLBZAZTESA-N 2 0 366.462 0.281 20 0 FCADRP O=C(NCc1cccnc1)c1cccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218974224 1224276518 /nfs/dbraw/zinc/27/65/18/1224276518.db2.gz HSXTVSWQNQTWOI-KRWDZBQOSA-N 2 0 365.437 0.759 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCCC1 ZINC001077300171 1195399458 /nfs/dbraw/zinc/39/94/58/1195399458.db2.gz ZQLYISAQRLEBLW-KURKYZTESA-N 2 0 365.518 0.981 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366685 1195467231 /nfs/dbraw/zinc/46/72/31/1195467231.db2.gz VPAXHQADRCZONV-CGTJXYLNSA-N 2 0 371.441 0.611 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219004310 1224284027 /nfs/dbraw/zinc/28/40/27/1224284027.db2.gz FSXNDIZVMAAQBQ-YESZJQIVSA-N 2 0 366.506 0.251 20 0 FCADRP O=C(Nc1ccc2c3c1cccc3C(=O)NC2=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219003403 1224285443 /nfs/dbraw/zinc/28/54/43/1224285443.db2.gz HPEDIAFBJIJSQB-BIBXISHDSA-N 2 0 364.405 0.861 20 0 FCADRP [NH3+][C@@H](C(=O)Nc1ccc2c3c1cccc3C(=O)NC2=O)C1CC[NH2+]CC1 ZINC001219005938 1224285845 /nfs/dbraw/zinc/28/58/45/1224285845.db2.gz YNAJGRBXAVBUEG-MRXNPFEDSA-N 2 0 352.394 0.989 20 0 FCADRP C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)[C@@H](N)C[NH3+])cc(c32)C1=O ZINC001219019025 1224293813 /nfs/dbraw/zinc/29/38/13/1224293813.db2.gz OZTSRYNYTBXMPC-HNNXBMFYSA-N 2 0 369.425 0.222 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CC[NH+](C)CC1 ZINC000906644803 1195641925 /nfs/dbraw/zinc/64/19/25/1195641925.db2.gz PBTTWKQKBRTTML-KRWDZBQOSA-N 2 0 361.490 0.472 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000906654539 1195642401 /nfs/dbraw/zinc/64/24/01/1195642401.db2.gz YOWJIAQDFYATEK-UHFFFAOYSA-N 2 0 360.458 0.845 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3([NH3+])CC3)c2)CC1 ZINC000906693122 1195650162 /nfs/dbraw/zinc/65/01/62/1195650162.db2.gz HVDKEEQFXDIJMF-UHFFFAOYSA-N 2 0 359.474 0.763 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842939 1195849128 /nfs/dbraw/zinc/84/91/28/1195849128.db2.gz GSJHZGUWRAILHQ-UHFFFAOYSA-N 2 0 359.474 0.719 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000910829195 1195850544 /nfs/dbraw/zinc/85/05/44/1195850544.db2.gz OLQWIWPLNGTXBF-WBVHZDCISA-N 2 0 359.474 0.671 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000910977780 1195872676 /nfs/dbraw/zinc/87/26/76/1195872676.db2.gz KTMNJYOLRQWMFY-QZTJIDSGSA-N 2 0 358.486 0.966 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@H](C)C1 ZINC000911032615 1195881379 /nfs/dbraw/zinc/88/13/79/1195881379.db2.gz FSRFTUSZWHRVDV-IKGGRYGDSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911186780 1195904719 /nfs/dbraw/zinc/90/47/19/1195904719.db2.gz PVLJIEBFGXJGKN-XLAORIBOSA-N 2 0 364.534 0.929 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000911187111 1195904812 /nfs/dbraw/zinc/90/48/12/1195904812.db2.gz MGZOHVDYYAPKFD-QZTJIDSGSA-N 2 0 358.486 0.822 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000911238337 1195920561 /nfs/dbraw/zinc/92/05/61/1195920561.db2.gz QBPXJSYAVBTACM-CGTJXYLNSA-N 2 0 356.470 0.860 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911270550 1195925598 /nfs/dbraw/zinc/92/55/98/1195925598.db2.gz YMTMGZAVCZYVCF-SJORKVTESA-N 2 0 367.538 0.025 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029311 1196326672 /nfs/dbraw/zinc/32/66/72/1196326672.db2.gz LQLZPHDNMYHOGX-KRWDZBQOSA-N 2 0 368.522 0.627 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083655147 1196350261 /nfs/dbraw/zinc/35/02/61/1196350261.db2.gz ZAOLWDYTFYAULT-QGRXYFRJSA-N 2 0 363.502 0.591 20 0 FCADRP NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001219087905 1224348983 /nfs/dbraw/zinc/34/89/83/1224348983.db2.gz KESGXWHKFWOIPW-AWEZNQCLSA-N 2 0 357.458 0.136 20 0 FCADRP [NH3+][C@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736324 1196735945 /nfs/dbraw/zinc/73/59/45/1196735945.db2.gz AIIQCGGZJUTVLB-HKUYNNGSSA-N 2 0 358.486 0.905 20 0 FCADRP COc1ncc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(C)n1 ZINC001088983126 1196856304 /nfs/dbraw/zinc/85/63/04/1196856304.db2.gz JFXSWMNXVZDPDF-ZBFHGGJFSA-N 2 0 359.474 0.968 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219190728 1224381696 /nfs/dbraw/zinc/38/16/96/1224381696.db2.gz XXFJBRHKKVZNOZ-GJZGRUSLSA-N 2 0 372.391 0.772 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000913996980 1197195734 /nfs/dbraw/zinc/19/57/34/1197195734.db2.gz DAGQCYLYEHLHGD-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236213 1224396970 /nfs/dbraw/zinc/39/69/70/1224396970.db2.gz OLGWIFCUVXCCNX-ZQIUZPCESA-N 2 0 359.474 0.891 20 0 FCADRP COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219261027 1224406942 /nfs/dbraw/zinc/40/69/42/1224406942.db2.gz ZLIOQLRKECZVPH-CYBMUJFWSA-N 2 0 361.446 0.856 20 0 FCADRP [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001219291101 1224416279 /nfs/dbraw/zinc/41/62/79/1224416279.db2.gz RPFORFVWZARGCG-INIZCTEOSA-N 2 0 361.421 0.170 20 0 FCADRP [NH3+]C1CCN(c2cccc(F)c2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001219293735 1224417914 /nfs/dbraw/zinc/41/79/14/1224417914.db2.gz NPAWSAMLINZWEF-AWEZNQCLSA-N 2 0 363.437 0.560 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)[NH+](C)C ZINC000992947699 1197627229 /nfs/dbraw/zinc/62/72/29/1197627229.db2.gz LYOQIVGFBHFSKI-ILZDJORESA-N 2 0 364.534 0.975 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001085232200 1197720903 /nfs/dbraw/zinc/72/09/03/1197720903.db2.gz QLAULVWUKKRIIV-AAVRWANBSA-N 2 0 374.445 0.082 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085245657 1197737987 /nfs/dbraw/zinc/73/79/87/1197737987.db2.gz GXHNXAWEDDAZMB-BZUAXINKSA-N 2 0 364.490 0.637 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274355 1197742755 /nfs/dbraw/zinc/74/27/55/1197742755.db2.gz HITDELSPWBGJTD-OKZBNKHCSA-N 2 0 366.506 0.792 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001106247054 1197778998 /nfs/dbraw/zinc/77/89/98/1197778998.db2.gz URWGVPFNBICDJG-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)Cn4ccnc4)C[C@]3(C)C2)CC1 ZINC000993081602 1197803823 /nfs/dbraw/zinc/80/38/23/1197803823.db2.gz OSTWBITXPUNDTA-QFBILLFUSA-N 2 0 359.474 0.532 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735585105 1197864155 /nfs/dbraw/zinc/86/41/55/1197864155.db2.gz DTGNBUOQUKEYCR-INIZCTEOSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106371139 1197883011 /nfs/dbraw/zinc/88/30/11/1197883011.db2.gz SYQVDTQXALFJPD-HZPDHXFCSA-N 2 0 363.506 0.324 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106378396 1197889560 /nfs/dbraw/zinc/88/95/60/1197889560.db2.gz PUPNYIJOZXYPOV-GDBMZVCRSA-N 2 0 355.442 0.864 20 0 FCADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001106412885 1197908754 /nfs/dbraw/zinc/90/87/54/1197908754.db2.gz ZOMRUUKRCWBDJU-IIAWOOMASA-N 2 0 370.457 0.829 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736385937 1197929321 /nfs/dbraw/zinc/92/93/21/1197929321.db2.gz CPEGFIZZSCNTDR-KBAYOESNSA-N 2 0 366.506 0.650 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716144 1197946400 /nfs/dbraw/zinc/94/64/00/1197946400.db2.gz KIQXYZOUGXPBND-ICSRJNTNSA-N 2 0 374.529 0.479 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106516179 1197987932 /nfs/dbraw/zinc/98/79/32/1197987932.db2.gz IAWOASKYVYKBGH-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)CCOC1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000738208978 1197996019 /nfs/dbraw/zinc/99/60/19/1197996019.db2.gz MCSMPNNVWYJLJO-UHFFFAOYSA-N 2 0 367.494 0.003 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001106591485 1198026084 /nfs/dbraw/zinc/02/60/84/1198026084.db2.gz BWQJHPRHHOIOCA-HUUCEWRRSA-N 2 0 366.485 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001106600200 1198029896 /nfs/dbraw/zinc/02/98/96/1198029896.db2.gz UFXVDIZOGSYXDT-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP Cn1nccc1CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000762572686 1198031238 /nfs/dbraw/zinc/03/12/38/1198031238.db2.gz XUQWGHFKYNQSIN-UHFFFAOYSA-N 2 0 371.489 0.869 20 0 FCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273386213 1198087264 /nfs/dbraw/zinc/08/72/64/1198087264.db2.gz ZMDXKXJDWWXZOB-HNAYVOBHSA-N 2 0 364.490 0.398 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001086090658 1198158815 /nfs/dbraw/zinc/15/88/15/1198158815.db2.gz LKJXSTCXMFQLHE-APIJFGDWSA-N 2 0 362.478 0.133 20 0 FCADRP C[C@@H](C(=O)N1CCN(Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273403292 1198203261 /nfs/dbraw/zinc/20/32/61/1198203261.db2.gz CEUNZCIMLQTLCW-KXBFYZLASA-N 2 0 361.490 0.648 20 0 FCADRP COc1cc2c(cc1NC(=O)CCCCNC(N)=[NH2+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503858 1224490567 /nfs/dbraw/zinc/49/05/67/1224490567.db2.gz OFGILETYOYVZRJ-GOSISDBHSA-N 2 0 374.445 0.470 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)COC1(C)C ZINC001219539791 1224502629 /nfs/dbraw/zinc/50/26/29/1224502629.db2.gz AUHRWNKFZNOESO-TZQJONAQSA-N 2 0 374.441 0.384 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538275 1224502712 /nfs/dbraw/zinc/50/27/12/1224502712.db2.gz WXVMQYQWTLSOSX-KBRIMQKVSA-N 3 0 372.469 0.526 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086484583 1198959051 /nfs/dbraw/zinc/95/90/51/1198959051.db2.gz FGISWVHQSCQWQN-DBDQLMEASA-N 2 0 370.497 0.705 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000746046367 1198961978 /nfs/dbraw/zinc/96/19/78/1198961978.db2.gz YEFJXFZJGHCITM-INIZCTEOSA-N 2 0 373.501 0.835 20 0 FCADRP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133748 1199047410 /nfs/dbraw/zinc/04/74/10/1199047410.db2.gz JPRWXELMIDAUER-AJYBTWMASA-N 2 0 364.534 0.772 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219616727 1224529850 /nfs/dbraw/zinc/52/98/50/1224529850.db2.gz CCCLAWLQWWICHK-TXPKVOOTSA-N 2 0 363.433 0.248 20 0 FCADRP C[C@@H]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C[NH2+]1 ZINC001219685287 1224562093 /nfs/dbraw/zinc/56/20/93/1224562093.db2.gz YLELROICFZLQIV-XNJGSVPQSA-N 2 0 357.458 0.268 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001219723392 1224575838 /nfs/dbraw/zinc/57/58/38/1224575838.db2.gz LREVWLSCOIEQAZ-RBUKOAKNSA-N 3 0 372.513 0.593 20 0 FCADRP O=C(NCc1nnc2n1CCC[NH2+]C2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001219748790 1224592699 /nfs/dbraw/zinc/59/26/99/1224592699.db2.gz CCBMLUYHDQDZGK-UHFFFAOYSA-N 2 0 354.458 0.709 20 0 FCADRP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753084 1224595958 /nfs/dbraw/zinc/59/59/58/1224595958.db2.gz ALWDPTWJXCHDBS-DLBZAZTESA-N 2 0 373.501 0.953 20 0 FCADRP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766555 1224601981 /nfs/dbraw/zinc/60/19/81/1224601981.db2.gz WBTBXACGYGVQTQ-UWWQBHOKSA-N 2 0 353.470 0.515 20 0 FCADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219765287 1224600981 /nfs/dbraw/zinc/60/09/81/1224600981.db2.gz YNOJBLZQPQTRQL-GJYPPUQNSA-N 2 0 370.497 0.479 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)c2ccco2)CC1 ZINC001219764435 1224601584 /nfs/dbraw/zinc/60/15/84/1224601584.db2.gz FQWDZUIEMDBNBT-UWWQBHOKSA-N 2 0 361.490 0.154 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001109650175 1200442024 /nfs/dbraw/zinc/44/20/24/1200442024.db2.gz WVPDKEPJPUHUDE-YVSFHVDLSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787936 1224613769 /nfs/dbraw/zinc/61/37/69/1224613769.db2.gz NMFUBCWEUGFVQW-ZOBUZTSGSA-N 2 0 363.506 0.592 20 0 FCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317716 1200560146 /nfs/dbraw/zinc/56/01/46/1200560146.db2.gz WRSSLIJFAAKSRK-IAGOWNOFSA-N 2 0 367.538 0.565 20 0 FCADRP CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847769 1200560680 /nfs/dbraw/zinc/56/06/80/1200560680.db2.gz GMDYZJQXYUUMBS-QZWWFDLISA-N 2 0 364.490 0.051 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001109979925 1200664350 /nfs/dbraw/zinc/66/43/50/1200664350.db2.gz FQIMJRVVTDZMRM-IKGGRYGDSA-N 2 0 366.506 0.299 20 0 FCADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219809186 1224627120 /nfs/dbraw/zinc/62/71/20/1224627120.db2.gz FQVHUYAZBZFCPU-DJJJIMSYSA-N 2 0 367.409 0.046 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC1CC[NH+](C)CC1)C2)C(N)=O ZINC001112552833 1200780056 /nfs/dbraw/zinc/78/00/56/1200780056.db2.gz RDKCMYHKHOXNAJ-DOXZYTNZSA-N 2 0 366.506 0.189 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564484 1200797254 /nfs/dbraw/zinc/79/72/54/1200797254.db2.gz WNDIKRUSHOXNGP-JXFKEZNVSA-N 2 0 362.518 0.779 20 0 FCADRP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563560 1200797323 /nfs/dbraw/zinc/79/73/23/1200797323.db2.gz AZLADSYHAKDDCH-YJBOKZPZSA-N 2 0 364.494 0.112 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2)C(N)=O ZINC001112564231 1200797421 /nfs/dbraw/zinc/79/74/21/1200797421.db2.gz KGLGZYAUELGCDW-NJSLBKSFSA-N 2 0 359.474 0.853 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787106614 1200866133 /nfs/dbraw/zinc/86/61/33/1200866133.db2.gz KPCAQOSBLBSQIT-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831368 1224643028 /nfs/dbraw/zinc/64/30/28/1224643028.db2.gz IIIXZOLXEBIOCU-MKXGPGLRSA-N 2 0 358.486 0.344 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219833399 1224644691 /nfs/dbraw/zinc/64/46/91/1224644691.db2.gz CQUIYMLVSHJNBQ-NFBUACBFSA-N 2 0 359.470 0.849 20 0 FCADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cccc(N2CC[NH2+]CC2)c1 ZINC001219843726 1224650217 /nfs/dbraw/zinc/65/02/17/1224650217.db2.gz BQIPACIUATZILF-JXFKEZNVSA-N 2 0 374.485 0.221 20 0 FCADRP C[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1CC(C)(C)O ZINC000790385943 1201071779 /nfs/dbraw/zinc/07/17/79/1201071779.db2.gz OMOIXEBICZAUDV-DNVCBOLYSA-N 2 0 366.506 0.638 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219847286 1224651335 /nfs/dbraw/zinc/65/13/35/1224651335.db2.gz BUWNJLDCKSEHRG-CWLKWCNXSA-N 2 0 357.454 0.704 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219848107 1224652308 /nfs/dbraw/zinc/65/23/08/1224652308.db2.gz WQGIRZMZZRKWNB-FABMQREXSA-N 2 0 356.470 0.348 20 0 FCADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847523 1224652775 /nfs/dbraw/zinc/65/27/75/1224652775.db2.gz JXCQNBIAABZMQK-CGBFIWBNSA-N 2 0 358.486 0.486 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219849669 1224652914 /nfs/dbraw/zinc/65/29/14/1224652914.db2.gz DYMXYLGKUNTKMB-CWLKWCNXSA-N 2 0 362.474 0.357 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850154 1224654116 /nfs/dbraw/zinc/65/41/16/1224654116.db2.gz MRZAPIYBFYNQBB-LUKYLMHMSA-N 2 0 361.442 0.188 20 0 FCADRP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851891 1224654409 /nfs/dbraw/zinc/65/44/09/1224654409.db2.gz HOKUYKCDVCRHDB-ITQYTPKQSA-N 2 0 354.454 0.845 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnnnc2)[C@H](O)OC(C)(C)C)C1 ZINC001170388975 1201208502 /nfs/dbraw/zinc/20/85/02/1201208502.db2.gz BEGSGSKLGRSMAJ-AFHWFKKNSA-N 2 0 368.482 0.145 20 0 FCADRP C/C=C(\NC=[NH2+])N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389951 1201209115 /nfs/dbraw/zinc/20/91/15/1201209115.db2.gz SLKYPJSSSMPPJS-JBEZSACESA-N 3 0 371.526 0.813 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396404 1201295129 /nfs/dbraw/zinc/29/51/29/1201295129.db2.gz BIJLAABHAPZRSX-ZACQAIPSSA-N 2 0 366.510 0.513 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129407200 1201298445 /nfs/dbraw/zinc/29/84/45/1201298445.db2.gz IHJZCBKOVFXZJY-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O)[NH+](C)C ZINC001219870109 1224664260 /nfs/dbraw/zinc/66/42/60/1224664260.db2.gz YVQORFOLBRLKRF-KURKYZTESA-N 2 0 361.486 0.666 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433807 1201314381 /nfs/dbraw/zinc/31/43/81/1201314381.db2.gz SSAYHMCTLPCGKL-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433808 1201315816 /nfs/dbraw/zinc/31/58/16/1201315816.db2.gz SSAYHMCTLPCGKL-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459894 1201325787 /nfs/dbraw/zinc/32/57/87/1201325787.db2.gz BBEDMQMRLBNOCG-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129684774 1201369984 /nfs/dbraw/zinc/36/99/84/1201369984.db2.gz KCCJIVNHGPZEJX-ZACQAIPSSA-N 2 0 362.478 0.140 20 0 FCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685048 1201370155 /nfs/dbraw/zinc/37/01/55/1201370155.db2.gz LYXOELFEAHZKLJ-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837305 1201409780 /nfs/dbraw/zinc/40/97/80/1201409780.db2.gz ASMWDWKUXYTTCY-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894514 1201428539 /nfs/dbraw/zinc/42/85/39/1201428539.db2.gz IGPMJHIGGQMSCL-XHSDSOJGSA-N 2 0 364.494 0.265 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1n1ccnn1 ZINC001129919527 1201441447 /nfs/dbraw/zinc/44/14/47/1201441447.db2.gz YZEBUFSAFVWCIH-SJORKVTESA-N 2 0 369.429 0.536 20 0 FCADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129924630 1201443753 /nfs/dbraw/zinc/44/37/53/1201443753.db2.gz CRQSZCNBPFXIKU-OAGGEKHMSA-N 2 0 364.469 0.996 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129982929 1201462498 /nfs/dbraw/zinc/46/24/98/1201462498.db2.gz JVXHHQJZZOVURO-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130030902 1201480890 /nfs/dbraw/zinc/48/08/90/1201480890.db2.gz XOGLYTPMKFBKOU-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130096872 1201499261 /nfs/dbraw/zinc/49/92/61/1201499261.db2.gz WEQKWRVTTAZSQN-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130106985 1201501958 /nfs/dbraw/zinc/50/19/58/1201501958.db2.gz BXXNKUWFCGIPAJ-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001130107222 1201502212 /nfs/dbraw/zinc/50/22/12/1201502212.db2.gz JXUOIEPTBHRDBY-MSOLQXFVSA-N 2 0 371.489 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130107556 1201502815 /nfs/dbraw/zinc/50/28/15/1201502815.db2.gz QXHMNAODCKOKFT-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137108 1201513958 /nfs/dbraw/zinc/51/39/58/1201513958.db2.gz IWXMTVXOKWDLBZ-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919930 1224681265 /nfs/dbraw/zinc/68/12/65/1224681265.db2.gz UETFFMNHQPPUAB-KURKYZTESA-N 2 0 362.474 0.638 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1 ZINC001130244229 1201564103 /nfs/dbraw/zinc/56/41/03/1201564103.db2.gz DRWXRUVPBQGDLJ-GJZGRUSLSA-N 2 0 366.510 0.881 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+]2CCCC2)[nH]1 ZINC001130251502 1201569834 /nfs/dbraw/zinc/56/98/34/1201569834.db2.gz YFRYBGDNSDUXSF-GJZGRUSLSA-N 2 0 364.494 0.779 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941291 1224692621 /nfs/dbraw/zinc/69/26/21/1224692621.db2.gz UCFPDVZZPJQLDS-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP COC(=O)C1(NC(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001219999384 1224722974 /nfs/dbraw/zinc/72/29/74/1224722974.db2.gz RGLAASBSSWURTQ-HNNXBMFYSA-N 2 0 364.446 0.155 20 0 FCADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001220020230 1224729854 /nfs/dbraw/zinc/72/98/54/1224729854.db2.gz BOFINJHOSPZYBH-HNNXBMFYSA-N 2 0 371.441 0.987 20 0 FCADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)COC1 ZINC001220023441 1224730785 /nfs/dbraw/zinc/73/07/85/1224730785.db2.gz YXFTULIXTZIQLP-MOPGFXCFSA-N 2 0 372.513 0.817 20 0 FCADRP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033790 1224732891 /nfs/dbraw/zinc/73/28/91/1224732891.db2.gz IVWKFBGNOAHGDT-VPOUWSJSSA-N 2 0 363.502 0.757 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CCC([NH3+])CC1 ZINC001220039706 1224734755 /nfs/dbraw/zinc/73/47/55/1224734755.db2.gz PEVJGAWFRZQPCA-IWPVNAIOSA-N 2 0 367.490 0.851 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130532118 1202710458 /nfs/dbraw/zinc/71/04/58/1202710458.db2.gz VGIFSOVOSGZYJH-CGTJXYLNSA-N 2 0 363.506 0.825 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130662345 1202750254 /nfs/dbraw/zinc/75/02/54/1202750254.db2.gz TULVSQZSQWDUKC-CGTJXYLNSA-N 2 0 365.522 0.927 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)on1 ZINC001130669250 1202751030 /nfs/dbraw/zinc/75/10/30/1202751030.db2.gz BSXMHFOBJIVAQV-DOTOQJQBSA-N 2 0 360.462 0.752 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CCOCC2CC2)c1 ZINC001130670235 1202751678 /nfs/dbraw/zinc/75/16/78/1202751678.db2.gz SFURPZSWXRNMCM-FUHWJXTLSA-N 2 0 363.506 0.682 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]C[C@@H]2CCCOC2)c1 ZINC001130670073 1202751712 /nfs/dbraw/zinc/75/17/12/1202751712.db2.gz PNHFYRXTXZPVGK-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130713010 1202760364 /nfs/dbraw/zinc/76/03/64/1202760364.db2.gz YQVTWTODWITYCD-DOTOQJQBSA-N 2 0 361.490 0.436 20 0 FCADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130729145 1202764291 /nfs/dbraw/zinc/76/42/91/1202764291.db2.gz WTSRZTNYZOYKIH-XYJFISCASA-N 2 0 363.506 0.561 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C3CC3)[NH+](C)C)n2)O1 ZINC001130790036 1202797855 /nfs/dbraw/zinc/79/78/55/1202797855.db2.gz DXNWJJCSTSHAJH-LZWOXQAQSA-N 2 0 364.494 0.981 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C3CC3)[NH+](C)C)n2)O1 ZINC001130790119 1202798571 /nfs/dbraw/zinc/79/85/71/1202798571.db2.gz IQFCBDQCKJNQOY-LZWOXQAQSA-N 2 0 364.494 0.979 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988775 1202837716 /nfs/dbraw/zinc/83/77/16/1202837716.db2.gz OCFNKJHVFUMQOF-BRWVUGGUSA-N 2 0 363.506 0.823 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131004019 1202841216 /nfs/dbraw/zinc/84/12/16/1202841216.db2.gz XDAUAUXTZKTJPE-ZACQAIPSSA-N 2 0 363.506 0.561 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131008255 1202842543 /nfs/dbraw/zinc/84/25/43/1202842543.db2.gz ZATACENXJHJCOL-JFIYKMOQSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017819 1202843720 /nfs/dbraw/zinc/84/37/20/1202843720.db2.gz NIOGVQVKZGCYMP-ZACQAIPSSA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cncn1C ZINC001131031577 1202845934 /nfs/dbraw/zinc/84/59/34/1202845934.db2.gz RTQKCQJKEOILOM-IAGOWNOFSA-N 2 0 368.441 0.912 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131062059 1202854117 /nfs/dbraw/zinc/85/41/17/1202854117.db2.gz TWUUVNFCQRKURE-USXIJHARSA-N 2 0 363.506 0.681 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108166 1202864078 /nfs/dbraw/zinc/86/40/78/1202864078.db2.gz LXEOWMWYOBMOHG-HZPDHXFCSA-N 2 0 361.490 0.436 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131115666 1202864417 /nfs/dbraw/zinc/86/44/17/1202864417.db2.gz SRUSWVCJMOXMRV-GVDBMIGSSA-N 2 0 363.506 0.682 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131120895 1202865886 /nfs/dbraw/zinc/86/58/86/1202865886.db2.gz BSVIXBPAORIACB-IAGOWNOFSA-N 2 0 363.506 0.825 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131128205 1202868310 /nfs/dbraw/zinc/86/83/10/1202868310.db2.gz WPWMTUNTKWQPBE-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCCN(CCCOC)CC2)CC[N@@H+]1C ZINC001131360292 1202888636 /nfs/dbraw/zinc/88/86/36/1202888636.db2.gz QVRVJUOOMAZXCX-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP CN(CCC[N@H+](C)CC(=O)NC1CCC2(CC1)OCCO2)CC[NH+](C)C ZINC000808781576 1202898268 /nfs/dbraw/zinc/89/82/68/1202898268.db2.gz JCTGBHCJTRHUSX-UHFFFAOYSA-N 2 0 370.538 0.604 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001131512245 1202909357 /nfs/dbraw/zinc/90/93/57/1202909357.db2.gz VHSUJZNVMNCFKC-APWZRJJASA-N 2 0 366.506 0.202 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001131511927 1202909552 /nfs/dbraw/zinc/90/95/52/1202909552.db2.gz DEYPGXQDFLDEEH-WBVHZDCISA-N 2 0 366.506 0.202 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564711 1202914843 /nfs/dbraw/zinc/91/48/43/1202914843.db2.gz RLRWWRPJSRWVMQ-AEFFLSMTSA-N 2 0 364.494 0.253 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCn2cccn2)CC1 ZINC001131564742 1202914893 /nfs/dbraw/zinc/91/48/93/1202914893.db2.gz SYNSCQZAQUSVEI-MJGOQNOKSA-N 2 0 363.506 0.821 20 0 FCADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001131564361 1202914905 /nfs/dbraw/zinc/91/49/05/1202914905.db2.gz JEGZKUQMGFDXOS-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131588157 1202916631 /nfs/dbraw/zinc/91/66/31/1202916631.db2.gz UPZSMEJCQDLCEC-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131582818 1202917521 /nfs/dbraw/zinc/91/75/21/1202917521.db2.gz BGFGGGQYLGOJAS-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001131599777 1202919475 /nfs/dbraw/zinc/91/94/75/1202919475.db2.gz LKOCRYSJBQHSJN-MJGOQNOKSA-N 2 0 364.490 0.985 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131609005 1202920457 /nfs/dbraw/zinc/92/04/57/1202920457.db2.gz UKGMVMFKAGMZHS-NUJGCVRESA-N 2 0 366.506 0.201 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001131608648 1202920636 /nfs/dbraw/zinc/92/06/36/1202920636.db2.gz JYFDRJZKEFWLOR-APWZRJJASA-N 2 0 366.506 0.333 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086695403 1202968654 /nfs/dbraw/zinc/96/86/54/1202968654.db2.gz PFLOECLIERAMJS-RRFJBIMHSA-N 2 0 364.494 0.356 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086696852 1202970713 /nfs/dbraw/zinc/97/07/13/1202970713.db2.gz DRLOCNVUPAPJMD-JQHSSLGASA-N 2 0 362.518 0.825 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086696851 1202970748 /nfs/dbraw/zinc/97/07/48/1202970748.db2.gz DRLOCNVUPAPJMD-CGTJXYLNSA-N 2 0 362.518 0.825 20 0 FCADRP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC001086696780 1202970843 /nfs/dbraw/zinc/97/08/43/1202970843.db2.gz BDHNEBHSRXDRNS-JQHSSLGASA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001086701000 1202975202 /nfs/dbraw/zinc/97/52/02/1202975202.db2.gz XUKHSFVZPBZYLO-LJISPDSOSA-N 2 0 364.494 0.213 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086711852 1202996665 /nfs/dbraw/zinc/99/66/65/1202996665.db2.gz DRJSIUNQQSMLHH-ZNMIVQPWSA-N 2 0 364.494 0.357 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086784982 1203092695 /nfs/dbraw/zinc/09/26/95/1203092695.db2.gz DRPXVKWMWSVMHZ-ARFHVFGLSA-N 2 0 364.494 0.299 20 0 FCADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086788510 1203094360 /nfs/dbraw/zinc/09/43/60/1203094360.db2.gz QYBGRGDYJHRWCK-GXTWGEPZSA-N 2 0 361.450 0.553 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863965 1203102942 /nfs/dbraw/zinc/10/29/42/1203102942.db2.gz YXOLUCJMIKFPQC-RBSFLKMASA-N 2 0 369.510 0.437 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC001136629712 1203236619 /nfs/dbraw/zinc/23/66/19/1203236619.db2.gz UZVXJTNSVKGUMF-UHFFFAOYSA-N 2 0 361.490 0.816 20 0 FCADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000823131859 1203251172 /nfs/dbraw/zinc/25/11/72/1203251172.db2.gz ZAFFFYDTUQKCRH-SOLBZPMBSA-N 2 0 368.522 0.990 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c1 ZINC001220120600 1224776895 /nfs/dbraw/zinc/77/68/95/1224776895.db2.gz IZJLEELRPGEPHW-VFVRVIDISA-N 2 0 359.430 0.620 20 0 FCADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143682596 1203325108 /nfs/dbraw/zinc/32/51/08/1203325108.db2.gz XKHXFXIKGUHKDE-ROUUACIJSA-N 2 0 361.486 0.978 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001090880970 1203329130 /nfs/dbraw/zinc/32/91/30/1203329130.db2.gz SRIBJFWEVOFACR-BBWFWOEESA-N 2 0 362.474 0.405 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001220306110 1224824492 /nfs/dbraw/zinc/82/44/92/1224824492.db2.gz CJYNBBZXUGHSDQ-NQIIRXRSSA-N 2 0 371.529 0.466 20 0 FCADRP CCOc1ccc(C[C@H]([NH3+])C(=O)NCc2ncn3c2C[NH2+]CCC3)cc1 ZINC001220310582 1224825220 /nfs/dbraw/zinc/82/52/20/1224825220.db2.gz CAGDYVMLZSMGHI-INIZCTEOSA-N 2 0 357.458 0.961 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220315579 1224826989 /nfs/dbraw/zinc/82/69/89/1224826989.db2.gz FRISLDVTLPLKQP-HDMKZQKVSA-N 2 0 359.474 0.161 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220315506 1224827314 /nfs/dbraw/zinc/82/73/14/1224827314.db2.gz DNVFYTDVROLAPS-WDYCEAGBSA-N 2 0 362.474 0.643 20 0 FCADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220321457 1224828244 /nfs/dbraw/zinc/82/82/44/1224828244.db2.gz UHSQOPXOTUWTTL-PZBISTMVSA-N 2 0 370.497 0.740 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000845125745 1204473693 /nfs/dbraw/zinc/47/36/93/1204473693.db2.gz ZOKQEUJIONOVNC-HNNXBMFYSA-N 2 0 371.526 0.195 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000846325002 1204614057 /nfs/dbraw/zinc/61/40/57/1204614057.db2.gz PWHLVCVCCAECGC-UHFFFAOYSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH2+][C@H](C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H](C)O ZINC001220358775 1224842231 /nfs/dbraw/zinc/84/22/31/1224842231.db2.gz XOOCECXFVPLRDD-DZUCGIPZSA-N 2 0 363.458 0.531 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001171249800 1204652167 /nfs/dbraw/zinc/65/21/67/1204652167.db2.gz QMKPCKFQEMJCHH-KRWDZBQOSA-N 2 0 367.538 0.119 20 0 FCADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358669 1224842533 /nfs/dbraw/zinc/84/25/33/1224842533.db2.gz WBRSVJMGMSSQKY-WCXIOVBPSA-N 2 0 360.458 0.251 20 0 FCADRP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091543680 1204708483 /nfs/dbraw/zinc/70/84/83/1204708483.db2.gz NJYUHYHLMAUKNB-OGWOLHLISA-N 2 0 359.474 0.860 20 0 FCADRP C[C@]12CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001091735742 1204836259 /nfs/dbraw/zinc/83/62/59/1204836259.db2.gz WHGDMDJEIXVRLR-KPFFTGBYSA-N 2 0 365.518 0.793 20 0 FCADRP C[C@@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+]1CCCC1 ZINC001273450376 1204848804 /nfs/dbraw/zinc/84/88/04/1204848804.db2.gz OYPMLVCOROENDY-RZQQEMMASA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2Cc3n[nH]c(C(=O)NC4CC[NH+](C)CC4)c3C2)C1 ZINC001273455081 1204851681 /nfs/dbraw/zinc/85/16/81/1204851681.db2.gz QIUAXPDLMFCTJC-LBPRGKRZSA-N 2 0 360.462 0.028 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2Cc3n[nH]c(C(=O)NC4CC[NH+](C)CC4)c3C2)C1 ZINC001273455080 1204851847 /nfs/dbraw/zinc/85/18/47/1204851847.db2.gz QIUAXPDLMFCTJC-GFCCVEGCSA-N 2 0 360.462 0.028 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273453828 1204852393 /nfs/dbraw/zinc/85/23/93/1204852393.db2.gz LSRJTXAFPQNVDV-KYHPRHEASA-N 2 0 362.518 0.633 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)C12CC[NH+](CC1)C2 ZINC001086854140 1204852921 /nfs/dbraw/zinc/85/29/21/1204852921.db2.gz KEFRHAVCPSVMPL-IXDOHACOSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001086864069 1204853808 /nfs/dbraw/zinc/85/38/08/1204853808.db2.gz BBXDAQCGGXLWEG-FCEWJHQRSA-N 2 0 363.506 0.372 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086875331 1204858761 /nfs/dbraw/zinc/85/87/61/1204858761.db2.gz OITRKQAGTVTICN-SOUVJXGZSA-N 2 0 362.478 0.135 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001086970976 1204870616 /nfs/dbraw/zinc/87/06/16/1204870616.db2.gz QLQATNOBGLSVCB-OTWHNJEPSA-N 2 0 368.485 0.994 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cnn(C)c1 ZINC001086986542 1204880811 /nfs/dbraw/zinc/88/08/11/1204880811.db2.gz VACSSTVXOOMUDC-DOPJRALCSA-N 2 0 368.441 0.646 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)[NH+]1CCCCCC1 ZINC001087000927 1204889378 /nfs/dbraw/zinc/88/93/78/1204889378.db2.gz VOQFHOTUIFKISB-BPQIPLTHSA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001087009441 1204897037 /nfs/dbraw/zinc/89/70/37/1204897037.db2.gz GNOASJVQBJXUJZ-FHLIZLRMSA-N 2 0 371.489 0.190 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087034331 1204923723 /nfs/dbraw/zinc/92/37/23/1204923723.db2.gz ALBUIBGSLHRMEJ-KBAYOESNSA-N 2 0 361.490 0.832 20 0 FCADRP CC(C)CC[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OC(C)(C)C ZINC001220400511 1224859983 /nfs/dbraw/zinc/85/99/83/1224859983.db2.gz FREWTRFVAWIJMR-JKSUJKDBSA-N 2 0 370.538 1.000 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087059384 1204944835 /nfs/dbraw/zinc/94/48/35/1204944835.db2.gz CEOCENQPFSMFJG-JFIYKMOQSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087060935 1204946596 /nfs/dbraw/zinc/94/65/96/1204946596.db2.gz GKOSPTYNVJEIJW-NXHRZFHOSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087063236 1204950134 /nfs/dbraw/zinc/95/01/34/1204950134.db2.gz OOHAAOPTYNPIMQ-BPQIPLTHSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087063416 1204950330 /nfs/dbraw/zinc/95/03/30/1204950330.db2.gz XMLSJDRTFYIYLZ-BPQIPLTHSA-N 2 0 363.506 0.858 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083639 1204970052 /nfs/dbraw/zinc/97/00/52/1204970052.db2.gz NQEGGIZXAIWVCO-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083348 1204970363 /nfs/dbraw/zinc/97/03/63/1204970363.db2.gz AMTPJLGRHGILOH-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087079541 1204991464 /nfs/dbraw/zinc/99/14/64/1204991464.db2.gz USVVUIQMPVYZJH-HZPDHXFCSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087079834 1204991662 /nfs/dbraw/zinc/99/16/62/1204991662.db2.gz IOXAQQAVFCNPTB-IXDOHACOSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087079563 1204991670 /nfs/dbraw/zinc/99/16/70/1204991670.db2.gz VPHGSEOUKHEWGM-SJLPKXTDSA-N 2 0 363.506 0.715 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087100798 1204996657 /nfs/dbraw/zinc/99/66/57/1204996657.db2.gz FIVOBYRLMSYGLQ-BZUAXINKSA-N 2 0 364.494 0.203 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087100993 1204997334 /nfs/dbraw/zinc/99/73/34/1204997334.db2.gz OISFTCSIHHBLLO-IIAWOOMASA-N 2 0 366.462 0.588 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087100911 1204998299 /nfs/dbraw/zinc/99/82/99/1204998299.db2.gz KQAQISGVEIJQOD-RCCFBDPRSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087101280 1204999294 /nfs/dbraw/zinc/99/92/94/1204999294.db2.gz BXSPRPUPDOXCMI-SJLPKXTDSA-N 2 0 363.506 0.952 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087096764 1205004788 /nfs/dbraw/zinc/00/47/88/1205004788.db2.gz BYYCYZVYUYRMTN-NVXWUHKLSA-N 2 0 361.490 0.469 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087096521 1205004975 /nfs/dbraw/zinc/00/49/75/1205004975.db2.gz QLJLTGHAJQGDSC-BRWVUGGUSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001091824465 1205044733 /nfs/dbraw/zinc/04/47/33/1205044733.db2.gz ZGOZGYLZQRKAKA-OGWOLHLISA-N 2 0 353.426 0.617 20 0 FCADRP CCCn1c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc(=O)n(CCC)c1=O ZINC001220424728 1224867159 /nfs/dbraw/zinc/86/71/59/1224867159.db2.gz RBKVWPVCAIQEJO-AWEZNQCLSA-N 2 0 367.494 0.828 20 0 FCADRP CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091909925 1205069011 /nfs/dbraw/zinc/06/90/11/1205069011.db2.gz DOBHLFZVLOOOPG-GUXCAODWSA-N 2 0 362.518 0.920 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975277 1205105564 /nfs/dbraw/zinc/10/55/64/1205105564.db2.gz NASWVGRJLPPTBG-UWVAXJGDSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010306 1205112094 /nfs/dbraw/zinc/11/20/94/1205112094.db2.gz BBORFWHVFOIUGZ-YRNRMSPPSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012885 1205113533 /nfs/dbraw/zinc/11/35/33/1205113533.db2.gz DLGHNTCZPWMHON-HLIPFELVSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014638 1205115051 /nfs/dbraw/zinc/11/50/51/1205115051.db2.gz BJMSEPDSBFOEIT-YRNRMSPPSA-N 2 0 364.534 0.975 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@]3(C)C2)CC1 ZINC001092131303 1205170003 /nfs/dbraw/zinc/17/00/03/1205170003.db2.gz SHYYLPTYROFLFR-HLIPFELVSA-N 2 0 362.518 0.729 20 0 FCADRP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611523 1205313702 /nfs/dbraw/zinc/31/37/02/1205313702.db2.gz ZEYQNCAODPCBDJ-KYJSFNMBSA-N 2 0 360.506 0.824 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675029 1205336628 /nfs/dbraw/zinc/33/66/28/1205336628.db2.gz BCDKUOLZQIIABT-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)O1 ZINC001220481634 1224887490 /nfs/dbraw/zinc/88/74/90/1224887490.db2.gz MBOABNWUFBOSDL-UIXUWTQFSA-N 2 0 372.469 0.946 20 0 FCADRP CN(CC[NH3+])CCNC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CCC[C@H]([NH3+])C1 ZINC001220517259 1224899998 /nfs/dbraw/zinc/89/99/98/1224899998.db2.gz DAWLFGFIYPVLQL-QFBILLFUSA-N 2 0 372.517 0.639 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001220519579 1224901864 /nfs/dbraw/zinc/90/18/64/1224901864.db2.gz SQOUXRPKBFSHSI-QGZVFWFLSA-N 2 0 363.458 0.177 20 0 FCADRP N[C@@]1(C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)CC[NH2+]C1 ZINC001220528129 1224908624 /nfs/dbraw/zinc/90/86/24/1224908624.db2.gz ZZCNDIPBFPIKEQ-FQEVSTJZSA-N 2 0 355.486 0.982 20 0 FCADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854531 1205936035 /nfs/dbraw/zinc/93/60/35/1205936035.db2.gz NGLCWIYESAZVHO-NVXWUHKLSA-N 2 0 360.502 0.834 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909329 1205939444 /nfs/dbraw/zinc/93/94/44/1205939444.db2.gz HYJFERVNWSELCZ-ZACQAIPSSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133345 1206032260 /nfs/dbraw/zinc/03/22/60/1206032260.db2.gz BZZPPBCSQRXZGD-BZUAXINKSA-N 2 0 358.490 0.545 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093282345 1206072135 /nfs/dbraw/zinc/07/21/35/1206072135.db2.gz WPSRGEKERRPQKH-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093285705 1206072759 /nfs/dbraw/zinc/07/27/59/1206072759.db2.gz SXRBMMATYLNGCL-FMKPAKJESA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3[NH+](CC(N)=O)CC34CCC4)CC2)CC[N@@H+]1C ZINC001093371474 1206077151 /nfs/dbraw/zinc/07/71/51/1206077151.db2.gz RKTZHEKMVLDTCY-KYJSFNMBSA-N 2 0 362.518 0.905 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001093672825 1206099334 /nfs/dbraw/zinc/09/93/34/1206099334.db2.gz FSKPMTAANKYKPP-OAGGEKHMSA-N 2 0 360.506 0.893 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094114192 1206186354 /nfs/dbraw/zinc/18/63/54/1206186354.db2.gz YWCVJONZJFVKEY-OLMNPRSZSA-N 2 0 358.486 0.934 20 0 FCADRP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC001094137755 1206191540 /nfs/dbraw/zinc/19/15/40/1206191540.db2.gz WJHPMEVKFDXLEK-UKRRQHHQSA-N 2 0 365.478 0.673 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001094164948 1206197377 /nfs/dbraw/zinc/19/73/77/1206197377.db2.gz GWBKMCZBKFKOSS-RBSFLKMASA-N 2 0 365.478 0.742 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001094169794 1206198379 /nfs/dbraw/zinc/19/83/79/1206198379.db2.gz VNMWXVMIQVNFDA-ZIAGYGMSSA-N 2 0 363.462 0.496 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094169117 1206198414 /nfs/dbraw/zinc/19/84/14/1206198414.db2.gz CYCQWKRJXNKDLN-ZIAGYGMSSA-N 2 0 359.478 0.288 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001094241667 1206209578 /nfs/dbraw/zinc/20/95/78/1206209578.db2.gz VUYYURWATSXJRX-RBSFLKMASA-N 2 0 364.494 0.167 20 0 FCADRP COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474021 1206233549 /nfs/dbraw/zinc/23/35/49/1206233549.db2.gz HGZGKOALDOOIBP-MXPCJUPISA-N 2 0 363.502 0.857 20 0 FCADRP O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12)N1CCC1 ZINC001094560273 1206238695 /nfs/dbraw/zinc/23/86/95/1206238695.db2.gz PNXVWUIARGVJRG-VQIMIIECSA-N 2 0 360.502 0.675 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCNC2=O)CC3)C1 ZINC001094578384 1206240730 /nfs/dbraw/zinc/24/07/30/1206240730.db2.gz URDVOLKCKSNFBY-FRQCXROJSA-N 2 0 363.506 0.324 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578390 1206240843 /nfs/dbraw/zinc/24/08/43/1206240843.db2.gz UUDVXUFGWAKTEM-MBOZVWFJSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@H]45)n3)c2)CC1 ZINC001212628573 1206252551 /nfs/dbraw/zinc/25/25/51/1206252551.db2.gz CZTDGNAWKFRASH-JKSUJKDBSA-N 2 0 368.441 0.806 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@H]45)n3)c2)CC1 ZINC001212629513 1206252644 /nfs/dbraw/zinc/25/26/44/1206252644.db2.gz LLUBCGHOPZXCHM-LSDHHAIUSA-N 2 0 354.414 0.811 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@H]45)n3)c2)CC1 ZINC001212629511 1206252831 /nfs/dbraw/zinc/25/28/31/1206252831.db2.gz LLUBCGHOPZXCHM-GJZGRUSLSA-N 2 0 354.414 0.811 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001178527041 1206359090 /nfs/dbraw/zinc/35/90/90/1206359090.db2.gz IIEDEHSXJUAABM-ARFHVFGLSA-N 2 0 366.506 0.788 20 0 FCADRP C[C@H]1C[C@@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001178565269 1206360258 /nfs/dbraw/zinc/36/02/58/1206360258.db2.gz VYOVNFHYRAWDDS-DISWMANOSA-N 2 0 371.522 0.938 20 0 FCADRP Nc1cn(C(=O)CC23CCC[NH+]2CCC3)ccc1=[NH+]CCN1CCOCC1 ZINC001181103957 1206404424 /nfs/dbraw/zinc/40/44/24/1206404424.db2.gz FGUBIFZXCJJWES-UHFFFAOYSA-N 2 0 373.501 0.962 20 0 FCADRP Nc1cn(C(=O)C23CC[NH+](CC2)CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001181545015 1206410769 /nfs/dbraw/zinc/41/07/69/1206410769.db2.gz DJWSZFHNPFNFEF-UHFFFAOYSA-N 2 0 359.474 0.429 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cc(C)on3)C2)CC[N@@H+]1C ZINC001182692285 1206442416 /nfs/dbraw/zinc/44/24/16/1206442416.db2.gz HAIWNQAZLFRULP-QLFBSQMISA-N 2 0 363.462 0.842 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1ccc(O)cc1 ZINC001182970508 1206446463 /nfs/dbraw/zinc/44/64/63/1206446463.db2.gz WJUNHELPWWPWLX-UHFFFAOYSA-N 2 0 364.490 0.854 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001184057342 1206464140 /nfs/dbraw/zinc/46/41/40/1206464140.db2.gz XJZDRKKAEMNWRN-UHFFFAOYSA-N 2 0 362.522 0.705 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273510402 1206487206 /nfs/dbraw/zinc/48/72/06/1206487206.db2.gz GCXHQAHMHQLOMR-XLAORIBOSA-N 2 0 360.502 0.624 20 0 FCADRP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220623184 1224972643 /nfs/dbraw/zinc/97/26/43/1224972643.db2.gz YBIVGVWLHHSRKL-HNNXBMFYSA-N 2 0 366.469 0.524 20 0 FCADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001220651172 1224990623 /nfs/dbraw/zinc/99/06/23/1224990623.db2.gz FITKLRXUHSEJAH-SFHVURJKSA-N 2 0 358.486 0.871 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1)C1CC1 ZINC001188387183 1207448548 /nfs/dbraw/zinc/44/85/48/1207448548.db2.gz BRYZMOLOEFSDDT-XYJFISCASA-N 2 0 371.485 0.504 20 0 FCADRP CCN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001188388461 1207449008 /nfs/dbraw/zinc/44/90/08/1207449008.db2.gz POAXBHCUROUUSQ-YQQAZPJKSA-N 2 0 359.474 0.457 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610891 1207467053 /nfs/dbraw/zinc/46/70/53/1207467053.db2.gz SLKAQQUHHCICJN-VVJOJPPRSA-N 2 0 363.502 0.809 20 0 FCADRP CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963767 1207493149 /nfs/dbraw/zinc/49/31/49/1207493149.db2.gz RENLGGZPISYURG-JKSUJKDBSA-N 2 0 366.506 0.014 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189432577 1207550065 /nfs/dbraw/zinc/55/00/65/1207550065.db2.gz FLSYEJRKKSCNHA-YESZJQIVSA-N 2 0 359.474 0.783 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001189433841 1207550356 /nfs/dbraw/zinc/55/03/56/1207550356.db2.gz XETHHSVPHRRVKL-HYVNUMGLSA-N 2 0 361.490 0.981 20 0 FCADRP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189432576 1207550558 /nfs/dbraw/zinc/55/05/58/1207550558.db2.gz FLSYEJRKKSCNHA-GVDBMIGSSA-N 2 0 359.474 0.783 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001189786637 1207600954 /nfs/dbraw/zinc/60/09/54/1207600954.db2.gz GUTHSCXRJWAFBF-YQQAZPJKSA-N 2 0 361.490 0.751 20 0 FCADRP CN(CC1CC1)C(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802086 1207610126 /nfs/dbraw/zinc/61/01/26/1207610126.db2.gz RQHAGVBYZMOGAM-DLBZAZTESA-N 2 0 360.502 0.483 20 0 FCADRP CCn1nnc(C)c1CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801666 1207610466 /nfs/dbraw/zinc/61/04/66/1207610466.db2.gz IWMVSPKTDCIXAB-DOTOQJQBSA-N 2 0 364.494 0.217 20 0 FCADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802309 1207610755 /nfs/dbraw/zinc/61/07/55/1207610755.db2.gz TVCDKJDWKRLYMB-HRCADAONSA-N 2 0 362.518 0.918 20 0 FCADRP CC(C)[C@H](C)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802317 1207610889 /nfs/dbraw/zinc/61/08/89/1207610889.db2.gz UBZHEJDWDPVWDQ-YESZJQIVSA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189850928 1207617803 /nfs/dbraw/zinc/61/78/03/1207617803.db2.gz BJPVVWZUTBZAFJ-RCCFBDPRSA-N 2 0 363.506 0.509 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001190246338 1207667659 /nfs/dbraw/zinc/66/76/59/1207667659.db2.gz ATONQWFMAFFFJK-IXDOHACOSA-N 2 0 367.538 0.957 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001190363372 1207680888 /nfs/dbraw/zinc/68/08/88/1207680888.db2.gz IIHFKYUPOXYYGI-JKSUJKDBSA-N 2 0 367.538 0.957 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001193102051 1207858344 /nfs/dbraw/zinc/85/83/44/1207858344.db2.gz BXOLRZYIOQUEJG-NXWXRZEISA-N 2 0 361.486 0.705 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273666304 1207894307 /nfs/dbraw/zinc/89/43/07/1207894307.db2.gz JYKBWSMELYGIMT-UHFFFAOYSA-N 2 0 363.462 0.335 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001193902816 1207898450 /nfs/dbraw/zinc/89/84/50/1207898450.db2.gz YEWMHADFGAWRKI-RCCFBDPRSA-N 2 0 363.506 0.481 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243637 1207926655 /nfs/dbraw/zinc/92/66/55/1207926655.db2.gz AZWLTMQMPNZFOJ-RCCFBDPRSA-N 2 0 363.502 0.482 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289169 1207934414 /nfs/dbraw/zinc/93/44/14/1207934414.db2.gz AVTWBTFQAZXFIF-QZTJIDSGSA-N 2 0 362.474 0.638 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290377 1207935455 /nfs/dbraw/zinc/93/54/55/1207935455.db2.gz ULRKJKQQADJFKG-QZTJIDSGSA-N 2 0 364.490 0.884 20 0 FCADRP C[NH+]1CCN(c2ccc(C(=O)N(c3ncccn3)C3C[NH2+]C3)c(F)c2)CC1 ZINC001194528922 1207960430 /nfs/dbraw/zinc/96/04/30/1207960430.db2.gz LSAASOZQTJKXOV-UHFFFAOYSA-N 2 0 370.432 0.986 20 0 FCADRP CC(C)(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831425 1207977820 /nfs/dbraw/zinc/97/78/20/1207977820.db2.gz CZBCCVNERCPXIO-LUJDSPJVSA-N 2 0 365.518 0.837 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196122481 1208059487 /nfs/dbraw/zinc/05/94/87/1208059487.db2.gz CISZNXBZQIEQAI-CEXWTWQISA-N 2 0 363.502 0.961 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@H]2O)C1 ZINC001196185478 1208060245 /nfs/dbraw/zinc/06/02/45/1208060245.db2.gz VSNLHBZNUFQJTN-GVDBMIGSSA-N 2 0 369.506 0.075 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc(=O)n1OCc1ccccc1 ZINC001196463886 1208083761 /nfs/dbraw/zinc/08/37/61/1208083761.db2.gz GABJGOLQUNOFKV-UHFFFAOYSA-N 2 0 357.414 0.552 20 0 FCADRP CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197403165 1208159654 /nfs/dbraw/zinc/15/96/54/1208159654.db2.gz FFCLKEBVLYGVEM-USXIJHARSA-N 2 0 368.522 0.183 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001197493617 1208172180 /nfs/dbraw/zinc/17/21/80/1208172180.db2.gz UTEGXNWUMZIQPO-RTBURBONSA-N 2 0 371.485 0.875 20 0 FCADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001197723017 1208190415 /nfs/dbraw/zinc/19/04/15/1208190415.db2.gz CIKRWSKVXQNSQK-IAGOWNOFSA-N 2 0 366.510 0.342 20 0 FCADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC001198031529 1208215421 /nfs/dbraw/zinc/21/54/21/1208215421.db2.gz WAEOZIINFDSVAH-MRXNPFEDSA-N 2 0 360.458 0.605 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cn1 ZINC001198729681 1208284292 /nfs/dbraw/zinc/28/42/92/1208284292.db2.gz WTQGEBSOAWYNHS-QZTJIDSGSA-N 2 0 363.506 0.390 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001199111772 1208321298 /nfs/dbraw/zinc/32/12/98/1208321298.db2.gz LLKFORBJACJEEY-RCCFBDPRSA-N 2 0 367.465 0.231 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112077 1208322547 /nfs/dbraw/zinc/32/25/47/1208322547.db2.gz ZZNWGPONNHFYMM-IPMKNSEASA-N 2 0 363.502 0.482 20 0 FCADRP Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764549 1225060308 /nfs/dbraw/zinc/06/03/08/1225060308.db2.gz OOLISNKVIAFLPF-MOPGFXCFSA-N 2 0 363.502 0.667 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001220768316 1225062477 /nfs/dbraw/zinc/06/24/77/1225062477.db2.gz GPWCCCDICLFRRI-MSOLQXFVSA-N 2 0 360.458 0.407 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279172 1208756136 /nfs/dbraw/zinc/75/61/36/1208756136.db2.gz JMXKJFLDESHGMC-YESZJQIVSA-N 2 0 364.534 0.975 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220826016 1225090797 /nfs/dbraw/zinc/09/07/97/1225090797.db2.gz XVSRNSVRPFMYJH-MRXNPFEDSA-N 2 0 362.430 0.280 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2(Cc3cccnc3)CC[NH2+]CC2)C[NH2+]C1 ZINC001220825837 1225090523 /nfs/dbraw/zinc/09/05/23/1225090523.db2.gz UFXPWELRHLJSSJ-UHFFFAOYSA-N 2 0 358.442 0.531 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001489392074 1208812273 /nfs/dbraw/zinc/81/22/73/1208812273.db2.gz VXQDMPPHWZDUKS-IAGOWNOFSA-N 2 0 368.522 0.282 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220827455 1225092699 /nfs/dbraw/zinc/09/26/99/1225092699.db2.gz NSOIAHAWARWURG-INIZCTEOSA-N 2 0 362.430 0.153 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220827631 1225092757 /nfs/dbraw/zinc/09/27/57/1225092757.db2.gz WAVCPVMGWCSKDC-QGZVFWFLSA-N 2 0 371.437 0.605 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)C[NH2+]C1 ZINC001220830425 1225093232 /nfs/dbraw/zinc/09/32/32/1225093232.db2.gz WOXCBJAGVSKKCI-OAHLLOKOSA-N 2 0 354.410 0.641 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[NH2+]C1 ZINC001220836516 1225098789 /nfs/dbraw/zinc/09/87/89/1225098789.db2.gz PWXGIOPSEYCUBE-OAHLLOKOSA-N 2 0 359.426 0.403 20 0 FCADRP CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220845400 1225103819 /nfs/dbraw/zinc/10/38/19/1225103819.db2.gz NWOVPEDWMCMVTA-HOTGVXAUSA-N 2 0 370.538 1.000 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001489625737 1209057255 /nfs/dbraw/zinc/05/72/55/1209057255.db2.gz GSGKQVVOQDKWSP-SJORKVTESA-N 2 0 368.522 0.282 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865625 1225114325 /nfs/dbraw/zinc/11/43/25/1225114325.db2.gz FHGVSXYZFZFQJM-KRWDZBQOSA-N 2 0 365.437 0.908 20 0 FCADRP [NH3+]CCN(CCNC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12)N(O)N=O ZINC001220900211 1225129423 /nfs/dbraw/zinc/12/94/23/1225129423.db2.gz DJLJBZLNNPXZPV-ZDUSSCGKSA-N 2 0 363.422 0.092 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000850865336 1209493487 /nfs/dbraw/zinc/49/34/87/1209493487.db2.gz XUKOYKYWCIOOOR-CQSZACIVSA-N 2 0 361.490 0.880 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748987 1209562775 /nfs/dbraw/zinc/56/27/75/1209562775.db2.gz FKQFPUSDTGANKE-WBVHZDCISA-N 2 0 366.506 0.997 20 0 FCADRP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)NCCO[C@H]3CC[NH2+]C3)ccc2O1 ZINC001220936251 1225148870 /nfs/dbraw/zinc/14/88/70/1225148870.db2.gz DOECZRXPFWQEMZ-HOTGVXAUSA-N 2 0 363.458 0.696 20 0 FCADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718061 1209742218 /nfs/dbraw/zinc/74/22/18/1209742218.db2.gz WVYDZBQGXPYNAO-VQHPVUNQSA-N 2 0 369.506 0.074 20 0 FCADRP Cc1cc2c(cn1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001220960509 1225160424 /nfs/dbraw/zinc/16/04/24/1225160424.db2.gz QHLXVKZBVLXVAB-KSZLIROESA-N 2 0 373.501 0.941 20 0 FCADRP COc1ccccc1Cn1cncc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220968854 1225165345 /nfs/dbraw/zinc/16/53/45/1225165345.db2.gz GFRPJHKNMITWQG-MRXNPFEDSA-N 2 0 355.442 0.365 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000861508228 1209868890 /nfs/dbraw/zinc/86/88/90/1209868890.db2.gz KZABBEODDMTJLP-SFHVURJKSA-N 2 0 373.501 0.833 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000861542156 1209870629 /nfs/dbraw/zinc/87/06/29/1209870629.db2.gz MSIANDKLIJPNRF-AWEZNQCLSA-N 2 0 361.490 0.961 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000861542158 1209870636 /nfs/dbraw/zinc/87/06/36/1209870636.db2.gz MSIANDKLIJPNRF-CQSZACIVSA-N 2 0 361.490 0.961 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000861574422 1209871667 /nfs/dbraw/zinc/87/16/67/1209871667.db2.gz UKCVNLDTCJEHQO-PBHICJAKSA-N 2 0 361.490 0.873 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000861732824 1209877897 /nfs/dbraw/zinc/87/78/97/1209877897.db2.gz MBCKQFKNXVAXKU-PBHICJAKSA-N 2 0 362.474 0.754 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741327 1209878412 /nfs/dbraw/zinc/87/84/12/1209878412.db2.gz ZXZFLSYMONUZRT-YOEHRIQHSA-N 2 0 364.490 1.000 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000861763012 1209880734 /nfs/dbraw/zinc/88/07/34/1209880734.db2.gz JGFNSBUXBCGFIY-CQSZACIVSA-N 2 0 362.474 0.065 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(c2cnccn2)CC1 ZINC001220992236 1225177705 /nfs/dbraw/zinc/17/77/05/1225177705.db2.gz JGBBKHTYOGNZGO-GJZGRUSLSA-N 2 0 374.489 0.072 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](F)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000865894326 1209987353 /nfs/dbraw/zinc/98/73/53/1209987353.db2.gz KORUWSRYZSFXGN-FVQHAEBGSA-N 2 0 370.513 0.925 20 0 FCADRP O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000866723163 1210005735 /nfs/dbraw/zinc/00/57/35/1210005735.db2.gz BPQCMKONWHVZKR-ROUUACIJSA-N 2 0 364.534 0.964 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000868283019 1210048843 /nfs/dbraw/zinc/04/88/43/1210048843.db2.gz NLVJBVICIUBVID-CALCHBBNSA-N 2 0 371.485 0.730 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221010183 1225184992 /nfs/dbraw/zinc/18/49/92/1225184992.db2.gz AXTRPZMCCCCBCQ-ROUUACIJSA-N 2 0 372.513 0.734 20 0 FCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000870876460 1210120960 /nfs/dbraw/zinc/12/09/60/1210120960.db2.gz CJHKEYKJJCADBI-HDICACEKSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221031851 1225192877 /nfs/dbraw/zinc/19/28/77/1225192877.db2.gz USRYDXQMFJMJSG-IAGOWNOFSA-N 2 0 360.433 0.461 20 0 FCADRP O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221030645 1225193148 /nfs/dbraw/zinc/19/31/48/1225193148.db2.gz HHBYPCTVTZRSDT-DLBZAZTESA-N 2 0 362.449 0.313 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873100711 1210233127 /nfs/dbraw/zinc/23/31/27/1210233127.db2.gz BZJZUQFKUVFCMW-QGZVFWFLSA-N 2 0 374.485 0.962 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000873102883 1210234488 /nfs/dbraw/zinc/23/44/88/1210234488.db2.gz VFGXIDWUCRWTIB-INIZCTEOSA-N 2 0 370.457 0.214 20 0 FCADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000873248527 1210240001 /nfs/dbraw/zinc/24/00/01/1210240001.db2.gz FYRFYICAWREOJZ-OKZBNKHCSA-N 2 0 372.469 0.985 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221073191 1225209528 /nfs/dbraw/zinc/20/95/28/1225209528.db2.gz KLVMSGBMOZSLDF-KURKYZTESA-N 2 0 369.506 0.219 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876777351 1210429251 /nfs/dbraw/zinc/42/92/51/1210429251.db2.gz VYNAPXMGBWLFOV-DLBZAZTESA-N 2 0 361.490 0.910 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000877199660 1210439503 /nfs/dbraw/zinc/43/95/03/1210439503.db2.gz ZKGCSJNMKANCPO-RYUDHWBXSA-N 2 0 371.363 0.744 20 0 FCADRP COc1cccc(C2(NC(=O)[C@@H]([NH3+])Cc3cncn3C)CC[NH2+]CC2)c1 ZINC001221094198 1225219804 /nfs/dbraw/zinc/21/98/04/1225219804.db2.gz LJUAZIIJQLDSBU-KRWDZBQOSA-N 2 0 357.458 0.694 20 0 FCADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001221113872 1225226752 /nfs/dbraw/zinc/22/67/52/1225226752.db2.gz DZMHCVUIJYCMSK-OXJNMPFZSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000883604051 1210673274 /nfs/dbraw/zinc/67/32/74/1210673274.db2.gz LHAVKOHAQMGCIT-KRWDZBQOSA-N 2 0 357.458 0.341 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883606628 1210673904 /nfs/dbraw/zinc/67/39/04/1210673904.db2.gz XZTWRYMWHAKIDT-MSOLQXFVSA-N 2 0 371.485 0.859 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883607427 1210674581 /nfs/dbraw/zinc/67/45/81/1210674581.db2.gz UWYMFYQYTZXOHX-ROUUACIJSA-N 2 0 371.485 0.763 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000883639276 1210677398 /nfs/dbraw/zinc/67/73/98/1210677398.db2.gz KQHSMSMPZQIQOE-ZMSDIMECSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CCN1c1cc[nH+]cc1 ZINC000883641675 1210678077 /nfs/dbraw/zinc/67/80/77/1210678077.db2.gz UBWTZIYMWQFYRC-OAHLLOKOSA-N 2 0 357.458 0.473 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCN1c1cc[nH+]cc1 ZINC000883642883 1210678260 /nfs/dbraw/zinc/67/82/60/1210678260.db2.gz XEFWCQNHPAXIIQ-ZRGWGRIASA-N 2 0 357.458 0.187 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCN1c1cc[nH+]cc1 ZINC000883642882 1210678389 /nfs/dbraw/zinc/67/83/89/1210678389.db2.gz XEFWCQNHPAXIIQ-YZVOILCLSA-N 2 0 357.458 0.187 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000883659708 1210682797 /nfs/dbraw/zinc/68/27/97/1210682797.db2.gz PYYURFQWVMNXFA-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883727927 1210686091 /nfs/dbraw/zinc/68/60/91/1210686091.db2.gz FWCIFCQQTBHROI-INIZCTEOSA-N 2 0 365.522 0.986 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCN1c1cc[nH+]cc1 ZINC000883792061 1210690409 /nfs/dbraw/zinc/69/04/09/1210690409.db2.gz GXGHMKZDSCDGBM-WBVHZDCISA-N 2 0 374.489 0.642 20 0 FCADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202588377 1210704811 /nfs/dbraw/zinc/70/48/11/1210704811.db2.gz GFUVFQHMJSRWGD-MSOLQXFVSA-N 2 0 358.486 0.658 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884495339 1210738990 /nfs/dbraw/zinc/73/89/90/1210738990.db2.gz RLXANOUCFIUYJD-FXAWDEMLSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000884513415 1210741889 /nfs/dbraw/zinc/74/18/89/1210741889.db2.gz IEUBZKDGLUMUHV-WAOWUJCRSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000884516305 1210742647 /nfs/dbraw/zinc/74/26/47/1210742647.db2.gz HIVIQKWLPDENBP-WBVHZDCISA-N 2 0 358.486 0.758 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884516960 1210743018 /nfs/dbraw/zinc/74/30/18/1210743018.db2.gz ZCNQJGKFRPBWFF-YESZJQIVSA-N 2 0 364.490 0.099 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884517420 1210743293 /nfs/dbraw/zinc/74/32/93/1210743293.db2.gz MVFATKCKUIHTLU-QZTJIDSGSA-N 2 0 371.485 0.515 20 0 FCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884560209 1210752181 /nfs/dbraw/zinc/75/21/81/1210752181.db2.gz QPZPBEQIBBOEAE-DOXZYTNZSA-N 2 0 366.506 0.189 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000884566400 1210752561 /nfs/dbraw/zinc/75/25/61/1210752561.db2.gz IZFDSAHJQAEUMS-ROUUACIJSA-N 2 0 370.497 0.555 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884576424 1210754443 /nfs/dbraw/zinc/75/44/43/1210754443.db2.gz HIIAFXOLAFHVBK-AEFFLSMTSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884571959 1210754624 /nfs/dbraw/zinc/75/46/24/1210754624.db2.gz BTMPNXYBBNJMMV-LULLPPNCSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000884580225 1210756795 /nfs/dbraw/zinc/75/67/95/1210756795.db2.gz WFCFAYNXENPGAN-IAGOWNOFSA-N 2 0 373.501 0.263 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884603118 1210759728 /nfs/dbraw/zinc/75/97/28/1210759728.db2.gz BYOSYGBJNJGIHX-KXBFYZLASA-N 2 0 368.522 0.437 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884603552 1210760366 /nfs/dbraw/zinc/76/03/66/1210760366.db2.gz LUNZGDKCVIPWTC-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604991 1210760776 /nfs/dbraw/zinc/76/07/76/1210760776.db2.gz SRTBIZOBTLPTPT-DZJNRPSUSA-N 2 0 356.470 0.586 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000884604765 1210761402 /nfs/dbraw/zinc/76/14/02/1210761402.db2.gz OHIIAUAGZYBFBT-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884603160 1210761436 /nfs/dbraw/zinc/76/14/36/1210761436.db2.gz CPWPXHLPMKUNFQ-QGZVFWFLSA-N 2 0 374.485 0.176 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000884608846 1210761925 /nfs/dbraw/zinc/76/19/25/1210761925.db2.gz YNRFLOUVGFTWAN-YOEHRIQHSA-N 2 0 360.502 0.910 20 0 FCADRP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631546 1210767529 /nfs/dbraw/zinc/76/75/29/1210767529.db2.gz NTGPJPHXGBCUHE-QGZVFWFLSA-N 2 0 356.470 0.549 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884645955 1210772384 /nfs/dbraw/zinc/77/23/84/1210772384.db2.gz BDJZIARNHQXLGY-DZJNRPSUSA-N 2 0 356.470 0.728 20 0 FCADRP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884652986 1210773483 /nfs/dbraw/zinc/77/34/83/1210773483.db2.gz NDNDPMQFGBWNRE-GOSISDBHSA-N 2 0 358.486 0.978 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000884661570 1210774083 /nfs/dbraw/zinc/77/40/83/1210774083.db2.gz VEVKDMVTCMGTSO-SJORKVTESA-N 2 0 362.449 0.727 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000884672535 1210776591 /nfs/dbraw/zinc/77/65/91/1210776591.db2.gz VZJWGBXPJXGMGY-HNNXBMFYSA-N 2 0 359.474 0.897 20 0 FCADRP C[C@@]12CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884706467 1210784657 /nfs/dbraw/zinc/78/46/57/1210784657.db2.gz CXXATYKBWCUZBJ-WAOWUJCRSA-N 2 0 370.497 0.820 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000884721696 1210788767 /nfs/dbraw/zinc/78/87/67/1210788767.db2.gz RALZOVYHOYIXBE-SFHVURJKSA-N 2 0 356.470 0.721 20 0 FCADRP CN(CCCF)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000884727225 1210790333 /nfs/dbraw/zinc/79/03/33/1210790333.db2.gz OPTJLYQMZWDTRE-UHFFFAOYSA-N 2 0 364.465 0.914 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789853 1210795725 /nfs/dbraw/zinc/79/57/25/1210795725.db2.gz DOSPPGFLKFMTRE-XTIMDLJNSA-N 2 0 370.497 0.739 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884805685 1210797862 /nfs/dbraw/zinc/79/78/62/1210797862.db2.gz YCQDCTLOTUXXLI-GDBMZVCRSA-N 2 0 357.458 0.520 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832839 1210799849 /nfs/dbraw/zinc/79/98/49/1210799849.db2.gz AWKYQRYPKNKFKL-XYJFISCASA-N 2 0 358.486 0.691 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833003 1210800157 /nfs/dbraw/zinc/80/01/57/1210800157.db2.gz DVGQQFNNXRDSRA-NQYYFHDYSA-N 2 0 370.497 0.691 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884835375 1210800279 /nfs/dbraw/zinc/80/02/79/1210800279.db2.gz QHDGQYDRMWKGJX-NJAFHUGGSA-N 2 0 358.486 0.678 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884834967 1210800485 /nfs/dbraw/zinc/80/04/85/1210800485.db2.gz ICDQRBVZHFFLKF-BPQIPLTHSA-N 2 0 358.486 0.691 20 0 FCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838229 1210800811 /nfs/dbraw/zinc/80/08/11/1210800811.db2.gz FFAIKDQUSIMFQF-INIZCTEOSA-N 2 0 358.486 0.938 20 0 FCADRP CN(C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884847892 1210801087 /nfs/dbraw/zinc/80/10/87/1210801087.db2.gz LGFHMDZSDOJSMG-QGZVFWFLSA-N 2 0 356.470 0.644 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)CC[C@H]21 ZINC000884895787 1210803356 /nfs/dbraw/zinc/80/33/56/1210803356.db2.gz NJLXRUNAJTYVIJ-KZNAEPCWSA-N 2 0 358.486 0.615 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983094 1210806785 /nfs/dbraw/zinc/80/67/85/1210806785.db2.gz NUPBKOLYNRZZAX-GHTZIAJQSA-N 2 0 370.497 0.898 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150412 1210812678 /nfs/dbraw/zinc/81/26/78/1210812678.db2.gz VRFFSLNTLLSEJB-HZPDHXFCSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153880 1210812857 /nfs/dbraw/zinc/81/28/57/1210812857.db2.gz MTIFQMFPZBYGHJ-YJBOKZPZSA-N 2 0 358.486 0.665 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885156067 1210813382 /nfs/dbraw/zinc/81/33/82/1210813382.db2.gz KORRKRDZPUHGOT-OTWHNJEPSA-N 2 0 370.497 0.902 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000885280458 1210817047 /nfs/dbraw/zinc/81/70/47/1210817047.db2.gz PDOPVBWBTKKVLF-HUUCEWRRSA-N 2 0 372.460 0.824 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000885276942 1210817179 /nfs/dbraw/zinc/81/71/79/1210817179.db2.gz WCCIBQRACAVGDX-LSDHHAIUSA-N 2 0 372.460 0.824 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000886990736 1210841557 /nfs/dbraw/zinc/84/15/57/1210841557.db2.gz STXWHEAVFVNODE-SFHVURJKSA-N 2 0 373.501 0.977 20 0 FCADRP CCN(C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887067934 1210845103 /nfs/dbraw/zinc/84/51/03/1210845103.db2.gz BYZAPWITFODNBW-ROUUACIJSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887091664 1210847022 /nfs/dbraw/zinc/84/70/22/1210847022.db2.gz RKQUZIUCEULXNI-LSDHHAIUSA-N 2 0 359.474 0.705 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000887091200 1210847150 /nfs/dbraw/zinc/84/71/50/1210847150.db2.gz DDBHCHVSKAPWDH-HOTGVXAUSA-N 2 0 359.474 0.849 20 0 FCADRP [NH3+][C@@H]1CCCN(Cc2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451472 1210858594 /nfs/dbraw/zinc/85/85/94/1210858594.db2.gz NHTFQVVDSPNLPL-UYAOXDASSA-N 2 0 370.501 0.838 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083950 1210876132 /nfs/dbraw/zinc/87/61/32/1210876132.db2.gz OBBAGPPGWKMDGF-JXXFODFXSA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC(NC(=O)[C@@H]4C[NH+]5CCC4CC5)(C2)C3)CC1 ZINC001274098811 1210880168 /nfs/dbraw/zinc/88/01/68/1210880168.db2.gz SWOCOFMAUMCJFB-PBPGXSGUSA-N 2 0 360.502 0.578 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000887632301 1210884008 /nfs/dbraw/zinc/88/40/08/1210884008.db2.gz KBAHBUJXRVNGPC-HZPDHXFCSA-N 2 0 369.510 0.105 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180274 1210906275 /nfs/dbraw/zinc/90/62/75/1210906275.db2.gz VUNPVPXBTROLRO-WBVHZDCISA-N 2 0 362.518 0.777 20 0 FCADRP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274203769 1210911512 /nfs/dbraw/zinc/91/15/12/1210911512.db2.gz PCMJRWTZRAOHBG-LJQANCHMSA-N 2 0 366.550 0.709 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCC3N=NC(=O)N3C)CC2)CC1 ZINC000889570338 1210941803 /nfs/dbraw/zinc/94/18/03/1210941803.db2.gz NGRVJEHRMWULAN-UHFFFAOYSA-N 2 0 365.482 0.222 20 0 FCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000889805654 1210954655 /nfs/dbraw/zinc/95/46/55/1210954655.db2.gz QVYVZHLHXOMPLF-MAUKXSAKSA-N 2 0 373.501 0.976 20 0 FCADRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH+]4CCC3CC4)(C1)CCC2 ZINC001274418858 1211049486 /nfs/dbraw/zinc/04/94/86/1211049486.db2.gz MGLSCCDBQBVORA-FFZOFVMBSA-N 2 0 362.518 0.968 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001274419399 1211049834 /nfs/dbraw/zinc/04/98/34/1211049834.db2.gz SHVWUQTWFJKIAT-FXAWDEMLSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001274419279 1211049936 /nfs/dbraw/zinc/04/99/36/1211049936.db2.gz RLBPNWNVMIWIJT-QUCCMNQESA-N 2 0 364.534 0.583 20 0 FCADRP CN1CC[NH+](CCCC(=O)N2CCC3(CN(CC[NH+](C)C)C3)CC2)CC1 ZINC001274514601 1211071635 /nfs/dbraw/zinc/07/16/35/1211071635.db2.gz KZWJHRVNWZEZBE-UHFFFAOYSA-N 2 0 365.566 0.500 20 0 FCADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068638 1211173416 /nfs/dbraw/zinc/17/34/16/1211173416.db2.gz JTKWMASBEHORPG-QUCCMNQESA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)C[C@@]3(CCC[N@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123898 1211176573 /nfs/dbraw/zinc/17/65/73/1211176573.db2.gz STKCCQXGMUFOPD-HXUWFJFHSA-N 2 0 362.518 0.875 20 0 FCADRP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@]2(CN(C)CCO2)C1 ZINC001275154889 1211182944 /nfs/dbraw/zinc/18/29/44/1211182944.db2.gz MEPFXDGSDVZMFZ-ICSRJNTNSA-N 2 0 361.486 0.803 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161824 1211185184 /nfs/dbraw/zinc/18/51/84/1211185184.db2.gz JQIIWLRREFYJQP-LJQANCHMSA-N 2 0 360.506 0.472 20 0 FCADRP CCc1nc(C)c(CN2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)[nH]1 ZINC001275183510 1211193471 /nfs/dbraw/zinc/19/34/71/1211193471.db2.gz UTEASABVCPCCRT-LJQANCHMSA-N 2 0 363.506 0.893 20 0 FCADRP O=C1CO[C@]2(CC[N@H+](CCCC3OCCO3)C2)CN1CCn1ccnc1 ZINC001275294466 1211210844 /nfs/dbraw/zinc/21/08/44/1211210844.db2.gz WIIVHIREFPFAJY-SFHVURJKSA-N 2 0 364.446 0.340 20 0 FCADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275325811 1211215533 /nfs/dbraw/zinc/21/55/33/1211215533.db2.gz REVNJMKMANAWFH-HBFSDRIKSA-N 2 0 364.534 0.583 20 0 FCADRP COc1cncc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001275423098 1211234352 /nfs/dbraw/zinc/23/43/52/1211234352.db2.gz HZXSGLTWCYAGSV-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP C[NH+](C)CC(C)(C)CN1CC[C@@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510898 1211252737 /nfs/dbraw/zinc/25/27/37/1211252737.db2.gz BDSOBQUQPMSWNN-DNVCBOLYSA-N 2 0 366.506 0.156 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557084 1211256991 /nfs/dbraw/zinc/25/69/91/1211256991.db2.gz UXCBXXPZBQHKOQ-APWZRJJASA-N 2 0 367.490 0.441 20 0 FCADRP CCN(CC)C(=O)CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736109 1211278377 /nfs/dbraw/zinc/27/83/77/1211278377.db2.gz AYRUZTZKPADUIJ-LJQANCHMSA-N 2 0 366.506 0.158 20 0 FCADRP CN(C)C(=O)CCN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275751104 1211280678 /nfs/dbraw/zinc/28/06/78/1211280678.db2.gz XXTZTLLWEXVJKO-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750734 1211280994 /nfs/dbraw/zinc/28/09/94/1211280994.db2.gz PLXZNERLXDLOKD-XLIONFOSSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803945 1211286655 /nfs/dbraw/zinc/28/66/55/1211286655.db2.gz NXCIHFHXURRZBT-AZUAARDMSA-N 2 0 364.534 0.727 20 0 FCADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCCO2)CC1 ZINC001275804538 1211287092 /nfs/dbraw/zinc/28/70/92/1211287092.db2.gz SLRQESNHTUYPKM-GUDVDZBRSA-N 2 0 364.534 0.868 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878592 1211303220 /nfs/dbraw/zinc/30/32/20/1211303220.db2.gz LTHTVXUSLCHNDC-FCEWJHQRSA-N 2 0 367.490 0.441 20 0 FCADRP COC(CN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2)OC ZINC001275878151 1211304097 /nfs/dbraw/zinc/30/40/97/1211304097.db2.gz ICFZQHRYRCWMHI-APWZRJJASA-N 2 0 369.506 0.498 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820137 1225290409 /nfs/dbraw/zinc/29/04/09/1225290409.db2.gz YTKFXLGRSZNIPX-GJZGRUSLSA-N 2 0 369.506 0.469 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221275345 1225287883 /nfs/dbraw/zinc/28/78/83/1225287883.db2.gz AYCNAYOECIHHMA-MSOLQXFVSA-N 2 0 370.497 0.535 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCc2cncn2C1 ZINC001095646169 1211433758 /nfs/dbraw/zinc/43/37/58/1211433758.db2.gz SPUWHMNLCDEEDK-JHNDHUHGSA-N 2 0 372.473 0.192 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC000946978961 1211464174 /nfs/dbraw/zinc/46/41/74/1211464174.db2.gz DNZWXFOQVVFACC-BZUAXINKSA-N 2 0 363.462 0.169 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1=O ZINC000924472321 1211471036 /nfs/dbraw/zinc/47/10/36/1211471036.db2.gz DIEHLAUMRZBJHO-MSOLQXFVSA-N 2 0 373.501 0.847 20 0 FCADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693446 1211477480 /nfs/dbraw/zinc/47/74/80/1211477480.db2.gz ZPZJEUGSGGYCKP-RDJZCZTQSA-N 2 0 359.474 0.679 20 0 FCADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925936102 1211510805 /nfs/dbraw/zinc/51/08/05/1211510805.db2.gz JFKCWGCSHIRDKO-SZMVWBNQSA-N 2 0 360.502 0.922 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926350443 1211537570 /nfs/dbraw/zinc/53/75/70/1211537570.db2.gz BALCNWUYDJBIRT-BBWFWOEESA-N 2 0 366.506 0.014 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000926353046 1211538259 /nfs/dbraw/zinc/53/82/59/1211538259.db2.gz IEQAHHSBZIRTOD-GBESFXJTSA-N 2 0 370.497 0.774 20 0 FCADRP COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001221320892 1225296541 /nfs/dbraw/zinc/29/65/41/1225296541.db2.gz HTLRMVNQYYQVQC-DYVFJYSZSA-N 2 0 362.474 0.113 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000926386958 1211543753 /nfs/dbraw/zinc/54/37/53/1211543753.db2.gz QVSKVCGMTBVCLU-CEXWTWQISA-N 2 0 370.497 0.917 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(-c2ccccc2F)no1 ZINC001221322411 1225297702 /nfs/dbraw/zinc/29/77/02/1225297702.db2.gz CJNLLJIFMBMGKV-MRXNPFEDSA-N 2 0 361.421 0.847 20 0 FCADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221331993 1225298514 /nfs/dbraw/zinc/29/85/14/1225298514.db2.gz HFRNNMQKAGCLLK-OALUTQOASA-N 2 0 366.465 0.585 20 0 FCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927636996 1211577375 /nfs/dbraw/zinc/57/73/75/1211577375.db2.gz QUJPVSJMJSZJRF-QGZVFWFLSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1F ZINC000927889960 1211590718 /nfs/dbraw/zinc/59/07/18/1211590718.db2.gz YPMZBMQSBDHRKN-ZDUSSCGKSA-N 2 0 366.437 0.902 20 0 FCADRP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[NH+]2C)c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928556210 1211604708 /nfs/dbraw/zinc/60/47/08/1211604708.db2.gz NQSYADBTCYWZGE-GJZGRUSLSA-N 2 0 361.490 0.130 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000929229722 1211623535 /nfs/dbraw/zinc/62/35/35/1211623535.db2.gz NELRLFLPSHPQAN-INIZCTEOSA-N 2 0 368.522 0.308 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCCCNc2ccccn2)c1 ZINC000929504491 1211642591 /nfs/dbraw/zinc/64/25/91/1211642591.db2.gz PCEZWKBMWJNOIF-UHFFFAOYSA-N 2 0 356.430 0.777 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221398766 1225305840 /nfs/dbraw/zinc/30/58/40/1225305840.db2.gz FGKHRIPGHIFJFF-IRXDYDNUSA-N 2 0 366.469 0.360 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221397075 1225305919 /nfs/dbraw/zinc/30/59/19/1225305919.db2.gz DWTWQMAJUQLGRH-ZWKOTPCHSA-N 3 0 358.486 0.270 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC001221400145 1225306110 /nfs/dbraw/zinc/30/61/10/1225306110.db2.gz ZPBUCGLAMMLQPX-ROUUACIJSA-N 2 0 352.438 0.486 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC001110980010 1211683514 /nfs/dbraw/zinc/68/35/14/1211683514.db2.gz MXBMSCGQJYJSAE-AHCXZYCDSA-N 2 0 365.474 0.830 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000931481000 1211757837 /nfs/dbraw/zinc/75/78/37/1211757837.db2.gz BICGHZQLFSVJDA-UHFFFAOYSA-N 2 0 370.538 0.928 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000931604357 1211763102 /nfs/dbraw/zinc/76/31/02/1211763102.db2.gz ZQHLAHFWYQTXHH-UHFFFAOYSA-N 2 0 368.441 0.508 20 0 FCADRP CC(C)[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000932774471 1211821167 /nfs/dbraw/zinc/82/11/67/1211821167.db2.gz WPZMCYPQBBXTSC-INIZCTEOSA-N 2 0 366.510 0.185 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169444 1211910423 /nfs/dbraw/zinc/91/04/23/1211910423.db2.gz UJMRKLUZPHKGOP-YJNKXOJESA-N 2 0 367.494 0.284 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000968631484 1212056257 /nfs/dbraw/zinc/05/62/57/1212056257.db2.gz GFQBUEPALULXPZ-PMPSAXMXSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001111281560 1212233282 /nfs/dbraw/zinc/23/32/82/1212233282.db2.gz XUBWVCDCXOOBSV-XDNAFOTISA-N 2 0 369.506 0.482 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950704563 1212635091 /nfs/dbraw/zinc/63/50/91/1212635091.db2.gz OEIFHBCNGIXDMI-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000950805872 1212681845 /nfs/dbraw/zinc/68/18/45/1212681845.db2.gz ZKCLTLPEEOFPBR-ZTFGCOKTSA-N 2 0 362.518 0.633 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1C ZINC000951249791 1212803712 /nfs/dbraw/zinc/80/37/12/1212803712.db2.gz MJUNQBIHRGESMW-RBSFLKMASA-N 2 0 359.474 0.819 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120891 1213042642 /nfs/dbraw/zinc/04/26/42/1213042642.db2.gz YXGALNXUCBBXIA-CABCVRRESA-N 2 0 366.510 0.113 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3occc3C[NH+](C)C)C2)CC[N@@H+]1C ZINC000954407161 1213069198 /nfs/dbraw/zinc/06/91/98/1213069198.db2.gz DVDCRCJPNBIUCH-CZUORRHYSA-N 2 0 362.474 0.964 20 0 FCADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788129 1213216339 /nfs/dbraw/zinc/21/63/39/1213216339.db2.gz ROALVTWNYXLWCP-ROUUACIJSA-N 2 0 367.538 0.424 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000956989814 1213227123 /nfs/dbraw/zinc/22/71/23/1213227123.db2.gz MQCNMBJDEAGIJZ-HZPDHXFCSA-N 2 0 360.502 0.674 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)CC[N@@H+]1C ZINC000957085911 1213248134 /nfs/dbraw/zinc/24/81/34/1213248134.db2.gz KKADBULGBVDARK-YYIAUSFCSA-N 2 0 362.518 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000957224250 1213276344 /nfs/dbraw/zinc/27/63/44/1213276344.db2.gz JXXBMZNWIDUIRV-FCEWJHQRSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221682879 1225440661 /nfs/dbraw/zinc/44/06/61/1225440661.db2.gz SUXFYSRRNSFNQC-CRAIPNDOSA-N 2 0 371.441 0.423 20 0 FCADRP C[C@@H]1CN(C(=O)CN(C)CCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000796277513 1213402394 /nfs/dbraw/zinc/40/23/94/1213402394.db2.gz ZSFVKZYLOVGLCY-LJQANCHMSA-N 2 0 374.529 0.983 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787402 1225480790 /nfs/dbraw/zinc/48/07/90/1225480790.db2.gz QMPLCHVPHOWMDT-CEXWTWQISA-N 2 0 367.534 0.894 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787209 1225480870 /nfs/dbraw/zinc/48/08/70/1225480870.db2.gz NFEKECFEFZFQGO-QZTJIDSGSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733588 1213994721 /nfs/dbraw/zinc/99/47/21/1213994721.db2.gz UCVIRJUVMWFXSQ-QRVBRYPASA-N 2 0 368.485 0.814 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419154367 1214023250 /nfs/dbraw/zinc/02/32/50/1214023250.db2.gz RLJPYHFTGJTAIV-FQEVSTJZSA-N 2 0 374.485 0.598 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960956618 1214038840 /nfs/dbraw/zinc/03/88/40/1214038840.db2.gz UTASJIQPJVYDRC-YESZJQIVSA-N 2 0 364.490 0.005 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419505993 1214204179 /nfs/dbraw/zinc/20/41/79/1214204179.db2.gz LEPFSVYIGNSNGG-WIYYLYMNSA-N 2 0 370.497 0.979 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001019416589 1214240024 /nfs/dbraw/zinc/24/00/24/1214240024.db2.gz PVJPAVMHBILMOX-OTWHNJEPSA-N 2 0 370.497 0.755 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961602736 1214240904 /nfs/dbraw/zinc/24/09/04/1214240904.db2.gz NLAAFIBDLTWMOG-XWTMOSNGSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001020171203 1214316923 /nfs/dbraw/zinc/31/69/23/1214316923.db2.gz RTTRQNNVBQRADK-JSPVNYKOSA-N 2 0 362.449 0.929 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001039865038 1214449886 /nfs/dbraw/zinc/44/98/86/1214449886.db2.gz KIDZPRKAWIVLLD-FRQCXROJSA-N 2 0 368.522 0.138 20 0 FCADRP Cc1cnc2cc(C(=O)N[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3O)ccn12 ZINC000963806935 1214854405 /nfs/dbraw/zinc/85/44/05/1214854405.db2.gz OCGDPDWASQPLDA-OAGGEKHMSA-N 2 0 371.441 0.038 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCCN(C)C2=O)C3)CC[N@@H+]1C ZINC000963829621 1214859801 /nfs/dbraw/zinc/85/98/01/1214859801.db2.gz AXPDISDPCWIQGS-DDFPFOKPSA-N 2 0 362.518 0.964 20 0 FCADRP CC[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2)[NH+](C)C ZINC000965391601 1215054731 /nfs/dbraw/zinc/05/47/31/1215054731.db2.gz BYVQMJCFYOSRMX-BZUAXINKSA-N 2 0 366.506 0.107 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018205 1225578329 /nfs/dbraw/zinc/57/83/29/1225578329.db2.gz RKYOUCRIJJLAHN-RCCFBDPRSA-N 2 0 369.506 0.150 20 0 FCADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001055633426 1215893198 /nfs/dbraw/zinc/89/31/98/1215893198.db2.gz NOKYSFHEEQMIOZ-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056032531 1215939601 /nfs/dbraw/zinc/93/96/01/1215939601.db2.gz MKWXLDPOFAFHDH-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056118037 1215949856 /nfs/dbraw/zinc/94/98/56/1215949856.db2.gz UTAJIQRPEQWGRR-MDZRGWNJSA-N 2 0 368.522 0.138 20 0 FCADRP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276844207 1225663572 /nfs/dbraw/zinc/66/35/72/1225663572.db2.gz XXIITWHWXWDRFF-GOSISDBHSA-N 2 0 361.446 0.504 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3CC)C2)CC[N@@H+]1C ZINC001051623847 1216467751 /nfs/dbraw/zinc/46/77/51/1216467751.db2.gz JPBOBZPXSWLXQK-YESZJQIVSA-N 2 0 364.494 0.345 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057738652 1216529558 /nfs/dbraw/zinc/52/95/58/1216529558.db2.gz DRIIPUSNMIAQNW-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001067541524 1216686646 /nfs/dbraw/zinc/68/66/46/1216686646.db2.gz RZJPBPAQYKNTQE-DLBZAZTESA-N 2 0 370.538 0.602 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)CC[N@@H+]1C ZINC001069014870 1216772641 /nfs/dbraw/zinc/77/26/41/1216772641.db2.gz MYCQHJQEUAOAQA-HRCADAONSA-N 2 0 366.506 0.155 20 0 FCADRP CCOCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248010 1225694223 /nfs/dbraw/zinc/69/42/23/1225694223.db2.gz BAQBWDYPMVOAHO-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccc2c[nH+]cn2c1 ZINC001069979503 1216881371 /nfs/dbraw/zinc/88/13/71/1216881371.db2.gz JZIKTEITJOXVLB-SJORKVTESA-N 2 0 351.414 0.991 20 0 FCADRP CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354231 1225700391 /nfs/dbraw/zinc/70/03/91/1225700391.db2.gz LQJHDLCSWCKFIR-FGTMMUONSA-N 2 0 369.506 0.027 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)CC1 ZINC001223370467 1225701383 /nfs/dbraw/zinc/70/13/83/1225701383.db2.gz WSGVZAFWAOVIMQ-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070050602 1216926890 /nfs/dbraw/zinc/92/68/90/1216926890.db2.gz JOAZMLYLNZQMDI-CVEARBPZSA-N 2 0 360.466 0.100 20 0 FCADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223569252 1225717145 /nfs/dbraw/zinc/71/71/45/1225717145.db2.gz ATDNYZHIVVIZAW-ZMSDIMECSA-N 2 0 368.522 0.448 20 0 FCADRP CCN(CC)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223571165 1225717246 /nfs/dbraw/zinc/71/72/46/1225717246.db2.gz ZQZMCKVYYFCJIS-NVXWUHKLSA-N 2 0 368.522 0.402 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001223763739 1225733951 /nfs/dbraw/zinc/73/39/51/1225733951.db2.gz JNRGROKUKFSWKQ-NUJGCVRESA-N 2 0 369.506 0.027 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223846623 1225740190 /nfs/dbraw/zinc/74/01/90/1225740190.db2.gz PFAOILHTVKISCW-CVEARBPZSA-N 2 0 364.490 0.400 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916442 1225746423 /nfs/dbraw/zinc/74/64/23/1225746423.db2.gz IQJYGFWONFXMAO-SJORKVTESA-N 2 0 368.522 0.356 20 0 FCADRP Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916954 1225746673 /nfs/dbraw/zinc/74/66/73/1225746673.db2.gz WIEYNPQCRDJBGY-AEFFLSMTSA-N 2 0 363.506 0.464 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)[NH+](C)CC)C2)CC[N@@H+]1C ZINC001043274405 1217626306 /nfs/dbraw/zinc/62/63/06/1217626306.db2.gz KAUVFQDZGIXGLA-LSDHHAIUSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(C)c2)O1 ZINC001045802443 1217961489 /nfs/dbraw/zinc/96/14/89/1217961489.db2.gz CRFUAOMSIBWGLH-NRSFXHEJSA-N 2 0 361.490 0.705 20 0 FCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900192322 1217969098 /nfs/dbraw/zinc/96/90/98/1217969098.db2.gz LKIWKTXFJNSGLQ-FPOVZHCZSA-N 2 0 374.529 0.895 20 0 FCADRP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)n1NC(N)=O ZINC000900673857 1218022457 /nfs/dbraw/zinc/02/24/57/1218022457.db2.gz RKRVYHJXNYHGEU-AWEZNQCLSA-N 2 0 362.478 0.625 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000900680734 1218023597 /nfs/dbraw/zinc/02/35/97/1218023597.db2.gz HNRMOPYWDZPVQU-INIZCTEOSA-N 2 0 369.506 0.831 20 0 FCADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000900867285 1218047156 /nfs/dbraw/zinc/04/71/56/1218047156.db2.gz SCYZOJALQZOIKB-IRXDYDNUSA-N 2 0 367.490 0.585 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000901119580 1218083800 /nfs/dbraw/zinc/08/38/00/1218083800.db2.gz SYEJTNCMHLRBOR-AEFFLSMTSA-N 2 0 363.506 0.942 20 0 FCADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047383878 1218136375 /nfs/dbraw/zinc/13/63/75/1218136375.db2.gz KSDZBPZLDDGUHO-OWSLCNJRSA-N 2 0 371.497 0.596 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001048528463 1218279904 /nfs/dbraw/zinc/27/99/04/1218279904.db2.gz WTTMHZBXHRKQBN-PNVOZDDCSA-N 2 0 362.518 0.917 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001048529887 1218281594 /nfs/dbraw/zinc/28/15/94/1218281594.db2.gz WHCYJRWKASTXLK-MULDDASSSA-N 2 0 362.518 0.964 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCc5ncnn54)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829137 1218322757 /nfs/dbraw/zinc/32/27/57/1218322757.db2.gz IMAOPJQQHCHCTD-UHDSXZAQSA-N 2 0 358.490 0.496 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048830417 1218325869 /nfs/dbraw/zinc/32/58/69/1218325869.db2.gz NMBYDBXOHLWRTA-ONMISFSYSA-N 2 0 362.518 0.774 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001048923658 1218341951 /nfs/dbraw/zinc/34/19/51/1218341951.db2.gz UVIYGEWDKBINAM-YVSFHVDLSA-N 2 0 368.522 0.089 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001049140480 1218387192 /nfs/dbraw/zinc/38/71/92/1218387192.db2.gz YPIIYBQMBQIWGD-NCOADZHNSA-N 2 0 368.522 0.089 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277060223 1225817598 /nfs/dbraw/zinc/81/75/98/1225817598.db2.gz LECNTKAUFXPQBZ-ZIAGYGMSSA-N 2 0 367.494 0.047 20 0 FCADRP Cn1nncc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001277071274 1225822702 /nfs/dbraw/zinc/82/27/02/1225822702.db2.gz TUSKNFPWCQMVSV-IBGZPJMESA-N 2 0 354.458 0.867 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001049485078 1218462520 /nfs/dbraw/zinc/46/25/20/1218462520.db2.gz KUHMTSBFWOSAEP-WCXIOVBPSA-N 2 0 363.506 0.417 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000903741741 1218511936 /nfs/dbraw/zinc/51/19/36/1218511936.db2.gz SIAIXYATZJTMGY-BZSNNMDCSA-N 3 0 364.534 0.725 20 0 FCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903813877 1218545449 /nfs/dbraw/zinc/54/54/49/1218545449.db2.gz BFBMALNMCUTDEG-UHFFFAOYSA-N 2 0 360.458 0.959 20 0 FCADRP O=C(CCc1ncc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001225969626 1225829464 /nfs/dbraw/zinc/82/94/64/1225829464.db2.gz OBNBXMPCMSDOJM-ARFHVFGLSA-N 2 0 360.462 0.617 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000803995634 1218579631 /nfs/dbraw/zinc/57/96/31/1218579631.db2.gz JLJXSBSOMQHENE-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP Cn1cncc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095436 1218687421 /nfs/dbraw/zinc/68/74/21/1218687421.db2.gz OAYDRIHWBVLYKP-OLMNPRSZSA-N 2 0 371.489 0.714 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC001226347673 1225840839 /nfs/dbraw/zinc/84/08/39/1225840839.db2.gz AMINTGLILGMGAR-NUEKZKHPSA-N 2 0 361.490 0.913 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@@H+]1C ZINC001054134602 1218899015 /nfs/dbraw/zinc/89/90/15/1218899015.db2.gz IRLQCOIOPHGXLK-WRWLIDTKSA-N 2 0 362.518 0.920 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226817471 1225855259 /nfs/dbraw/zinc/85/52/59/1225855259.db2.gz DWGWKROOWGVAGS-BPLDGKMQSA-N 2 0 367.494 0.332 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227184666 1225865319 /nfs/dbraw/zinc/86/53/19/1225865319.db2.gz NZYHHWUADSSFEF-KZNAEPCWSA-N 2 0 364.490 0.932 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227224743 1225866893 /nfs/dbraw/zinc/86/68/93/1225866893.db2.gz IUFPXSXMSLPJNX-KFWWJZLASA-N 2 0 367.494 0.319 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001227057617 1225862540 /nfs/dbraw/zinc/86/25/40/1225862540.db2.gz XLRKWKUVZWGAAT-YLFCFFPRSA-N 2 0 368.522 0.327 20 0 FCADRP CC(C)OCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055536849 1219071523 /nfs/dbraw/zinc/07/15/23/1219071523.db2.gz UGNQZFHTZWTLJF-NVXWUHKLSA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001055538270 1219072175 /nfs/dbraw/zinc/07/21/75/1219072175.db2.gz BHBZQSGBHAOUOK-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001227065610 1225862871 /nfs/dbraw/zinc/86/28/71/1225862871.db2.gz JFAGYPUJNLSWGN-ARFHVFGLSA-N 2 0 368.522 0.626 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055606129 1219096972 /nfs/dbraw/zinc/09/69/72/1219096972.db2.gz AGEVEALBVGJPQZ-QAPCUYQASA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804051644 1219104233 /nfs/dbraw/zinc/10/42/33/1219104233.db2.gz APOIPSXKILVEOZ-CVEARBPZSA-N 2 0 364.490 0.053 20 0 FCADRP Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804057446 1219110712 /nfs/dbraw/zinc/11/07/12/1219110712.db2.gz PQRRJDAGEDFUHW-CVEARBPZSA-N 2 0 363.462 0.067 20 0 FCADRP Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804057451 1219111210 /nfs/dbraw/zinc/11/12/10/1219111210.db2.gz PQRRJDAGEDFUHW-JKSUJKDBSA-N 2 0 363.462 0.067 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057417 1219112522 /nfs/dbraw/zinc/11/25/22/1219112522.db2.gz PKMXNGKIKUSYCS-YESZJQIVSA-N 2 0 366.506 0.156 20 0 FCADRP CC1CC(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2n2ccnn2)C1 ZINC001070312444 1219369692 /nfs/dbraw/zinc/36/96/92/1219369692.db2.gz RVTSJJRBJMLESY-BACDZXNISA-N 2 0 358.490 0.762 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070328233 1219379264 /nfs/dbraw/zinc/37/92/64/1219379264.db2.gz RIFWBYQBEULATK-ZACQAIPSSA-N 2 0 362.478 0.142 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070550643 1219465116 /nfs/dbraw/zinc/46/51/16/1219465116.db2.gz AIBWKWVMHIQIGQ-FUHWJXTLSA-N 2 0 363.506 0.823 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070565252 1219472178 /nfs/dbraw/zinc/47/21/78/1219472178.db2.gz LYEFUOWQQMPHLY-FUHWJXTLSA-N 2 0 371.489 0.334 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001070566535 1219472574 /nfs/dbraw/zinc/47/25/74/1219472574.db2.gz UDEVJKGUKPUAGW-PKOBYXMFSA-N 2 0 371.485 0.672 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)n2)O1 ZINC001070574797 1219476551 /nfs/dbraw/zinc/47/65/51/1219476551.db2.gz WESWGMVMAGPGHN-ZQDZILKHSA-N 2 0 364.494 0.981 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3CC[NH+](C)CC3)n2)O1 ZINC001070575690 1219476573 /nfs/dbraw/zinc/47/65/73/1219476573.db2.gz JFIIZEMGRPKERA-LSDHHAIUSA-N 2 0 364.494 0.981 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CC[NH+](CC3)C4)n2)O1 ZINC001070575557 1219476867 /nfs/dbraw/zinc/47/68/67/1219476867.db2.gz BOWBDICZTVCYSZ-UONOGXRCSA-N 2 0 362.478 0.735 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228137748 1225897177 /nfs/dbraw/zinc/89/71/77/1225897177.db2.gz KYMRWPLNPAVLFP-RBSFLKMASA-N 2 0 367.494 0.320 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070675701 1219519437 /nfs/dbraw/zinc/51/94/37/1219519437.db2.gz QFUCRKSUPGYMCJ-BZUAXINKSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCF ZINC001070706412 1219535208 /nfs/dbraw/zinc/53/52/08/1219535208.db2.gz PWXBNZDHIWPWCY-HZPDHXFCSA-N 2 0 367.469 0.384 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913341 1219566335 /nfs/dbraw/zinc/56/63/35/1219566335.db2.gz IXYDLVCQUFSIET-BBWFWOEESA-N 2 0 364.490 0.987 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072751751 1219621400 /nfs/dbraw/zinc/62/14/00/1219621400.db2.gz CDQYJVTVEWCOSN-RHSMWYFYSA-N 2 0 360.506 0.769 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239002 1225904019 /nfs/dbraw/zinc/90/40/19/1225904019.db2.gz MORDARLMYHXQSZ-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255152 1225904500 /nfs/dbraw/zinc/90/45/00/1225904500.db2.gz QOHFRZSUUOOXMY-GVDBMIGSSA-N 2 0 370.538 0.886 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228333892 1225911546 /nfs/dbraw/zinc/91/15/46/1225911546.db2.gz HEGJYLISPFKPQL-IAGOWNOFSA-N 2 0 368.522 0.498 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)CCCO2)CC[N@@H+]1C ZINC001073610968 1219672890 /nfs/dbraw/zinc/67/28/90/1219672890.db2.gz KDRFLIYGMNODNR-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785690 1219681858 /nfs/dbraw/zinc/68/18/58/1219681858.db2.gz PLWQZEJHTWNPEO-OTWHNJEPSA-N 2 0 361.486 0.531 20 0 FCADRP C[C@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001098398402 1219773184 /nfs/dbraw/zinc/77/31/84/1219773184.db2.gz SGXMZGVRQJACFF-USXIJHARSA-N 2 0 364.490 0.960 20 0 FCADRP C[C@H]1CN(C(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001098401722 1219773917 /nfs/dbraw/zinc/77/39/17/1219773917.db2.gz LVUILDJEEDMUKN-HZMVEIRTSA-N 2 0 364.490 0.051 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001098761424 1219821914 /nfs/dbraw/zinc/82/19/14/1219821914.db2.gz QZQISNZQAJOWJC-LNLFQRSKSA-N 2 0 360.506 0.960 20 0 FCADRP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001098841174 1219838245 /nfs/dbraw/zinc/83/82/45/1219838245.db2.gz BXQXDSRTFOFEMZ-KNBMTAEXSA-N 2 0 360.502 0.578 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000750120222 1219858267 /nfs/dbraw/zinc/85/82/67/1219858267.db2.gz QQZCIRDMPGUORI-IYWMVGAKSA-N 2 0 368.566 0.294 20 0 FCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099009489 1219887604 /nfs/dbraw/zinc/88/76/04/1219887604.db2.gz BIFNEGINKMWNIQ-ZWOKBUDYSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001099062999 1219898334 /nfs/dbraw/zinc/89/83/34/1219898334.db2.gz OEBZTIGNDWYRMV-ZWOKBUDYSA-N 2 0 362.518 0.920 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCCNC2=O)C3)CC1 ZINC001099094011 1219909750 /nfs/dbraw/zinc/90/97/50/1219909750.db2.gz PXYOXJCYUOTQJF-QKLQHJQFSA-N 2 0 362.518 0.968 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCN2CCCC2=O)C3)C1 ZINC001099159535 1219935214 /nfs/dbraw/zinc/93/52/14/1219935214.db2.gz HOHCWIQWMDUNDY-ZWOKBUDYSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCN2CCCC2=O)C3)C1 ZINC001099159534 1219935650 /nfs/dbraw/zinc/93/56/50/1219935650.db2.gz HOHCWIQWMDUNDY-UWVAXJGDSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001099436371 1219995955 /nfs/dbraw/zinc/99/59/55/1219995955.db2.gz NNVVJJMWUJQXEW-GFIVTLFCSA-N 2 0 360.506 0.874 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[N@H+](C)C2CCC2)C3)C1=O ZINC001099447208 1219999881 /nfs/dbraw/zinc/99/98/81/1219999881.db2.gz ZAJRFKZYRYRWQF-VPWXQRGCSA-N 2 0 362.518 0.920 20 0 FCADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001099454471 1220003815 /nfs/dbraw/zinc/00/38/15/1220003815.db2.gz JVAAUSJDWSMUGZ-MPGHIAIKSA-N 2 0 361.494 0.413 20 0 FCADRP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001099458575 1220003981 /nfs/dbraw/zinc/00/39/81/1220003981.db2.gz MLFKALAJBJWDTO-BXWFABGCSA-N 2 0 360.502 0.722 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001099489883 1220013984 /nfs/dbraw/zinc/01/39/84/1220013984.db2.gz VIFUOTOTSIXZMU-LESCRADOSA-N 2 0 363.510 0.515 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncnn3C)C2)C1 ZINC001099500556 1220016458 /nfs/dbraw/zinc/01/64/58/1220016458.db2.gz VVCGTGILSXFHSG-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243608 1220242574 /nfs/dbraw/zinc/24/25/74/1220242574.db2.gz RFHRPAPEYXJDAN-VIPLHTEESA-N 2 0 364.534 0.879 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267577 1220256319 /nfs/dbraw/zinc/25/63/19/1220256319.db2.gz KTXWXSMQRNKPKW-KPFFTGBYSA-N 2 0 362.518 0.633 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101277448 1220263599 /nfs/dbraw/zinc/26/35/99/1220263599.db2.gz IHFMDVWVUHUVPD-MDZRGWNJSA-N 2 0 367.538 0.815 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290239 1220270822 /nfs/dbraw/zinc/27/08/22/1220270822.db2.gz GVFRLVBPIJVCNS-APWZRJJASA-N 2 0 362.518 0.921 20 0 FCADRP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101299208 1220276273 /nfs/dbraw/zinc/27/62/73/1220276273.db2.gz NEVPBQFFWFRBAY-APWZRJJASA-N 2 0 358.442 0.737 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101310540 1220280955 /nfs/dbraw/zinc/28/09/55/1220280955.db2.gz LRJUPGUMESWXRX-POAQFYNOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@]12CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101310574 1220281315 /nfs/dbraw/zinc/28/13/15/1220281315.db2.gz NAOZVMSUMHZTQL-HBFSDRIKSA-N 2 0 365.518 0.650 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344736 1220295491 /nfs/dbraw/zinc/29/54/91/1220295491.db2.gz BTYGLCKNIRAROC-MJGOQNOKSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363908 1220302554 /nfs/dbraw/zinc/30/25/54/1220302554.db2.gz FOLCBXJKEFJFSY-MDYRTPRTSA-N 2 0 362.518 0.635 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365869 1220304461 /nfs/dbraw/zinc/30/44/61/1220304461.db2.gz NHXRPZZKTJUUKW-UZLBHIALSA-N 2 0 364.534 0.977 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397694 1220322975 /nfs/dbraw/zinc/32/29/75/1220322975.db2.gz CJHJBWQIZCIOHC-APWZRJJASA-N 2 0 368.522 0.261 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC001101461438 1220359482 /nfs/dbraw/zinc/35/94/82/1220359482.db2.gz BIADFTABGSYIBQ-VPWXQRGCSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461633 1220360356 /nfs/dbraw/zinc/36/03/56/1220360356.db2.gz MJDQBXMDSNIRNM-APWZRJJASA-N 2 0 365.522 0.570 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478296 1220367553 /nfs/dbraw/zinc/36/75/53/1220367553.db2.gz IGXNMSLNWGWXSI-APWZRJJASA-N 2 0 367.538 0.815 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478397 1220368290 /nfs/dbraw/zinc/36/82/90/1220368290.db2.gz MDBQWDYAFRRINH-MDZRGWNJSA-N 2 0 360.506 0.886 20 0 FCADRP COCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12 ZINC001101628024 1220379116 /nfs/dbraw/zinc/37/91/16/1220379116.db2.gz TVOHMAHQPMXUQZ-BZUAXINKSA-N 2 0 361.490 0.832 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045138 1220475804 /nfs/dbraw/zinc/47/58/04/1220475804.db2.gz SSBJUZHUIJEXGE-RBSFLKMASA-N 2 0 367.494 0.128 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071264 1220486196 /nfs/dbraw/zinc/48/61/96/1220486196.db2.gz IPFQPHNDTGLNMF-ZACQAIPSSA-N 2 0 369.554 0.964 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102103344 1220495578 /nfs/dbraw/zinc/49/55/78/1220495578.db2.gz ONWLIDKJGUGCJT-HZPDHXFCSA-N 2 0 370.538 0.554 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101096 1220495656 /nfs/dbraw/zinc/49/56/56/1220495656.db2.gz MSNALELEEDFEOF-HZSPNIEDSA-N 2 0 369.510 0.245 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290358 1220576276 /nfs/dbraw/zinc/57/62/76/1220576276.db2.gz ACBMLPFTLYBHMG-OAGGEKHMSA-N 2 0 360.506 0.791 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](CC)CC ZINC001102357878 1220590610 /nfs/dbraw/zinc/59/06/10/1220590610.db2.gz MXDHTIRWYAKVMK-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368321 1220595635 /nfs/dbraw/zinc/59/56/35/1220595635.db2.gz PODYQYVYPNHRJB-IXDOHACOSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434279 1220622970 /nfs/dbraw/zinc/62/29/70/1220622970.db2.gz XTJJDZGTSCGADX-NVXWUHKLSA-N 2 0 365.522 0.428 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102472189 1220641800 /nfs/dbraw/zinc/64/18/00/1220641800.db2.gz NGPGAKNORWZYQU-HUUCEWRRSA-N 2 0 369.510 0.378 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480203 1220647502 /nfs/dbraw/zinc/64/75/02/1220647502.db2.gz CPXANCZETTXRAF-SJLPKXTDSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486735 1220650688 /nfs/dbraw/zinc/65/06/88/1220650688.db2.gz SKTLJEPPNXLPKI-BFYDXBDKSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511226 1220670425 /nfs/dbraw/zinc/67/04/25/1220670425.db2.gz NVMPGXCBROKOKS-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513639 1220672060 /nfs/dbraw/zinc/67/20/60/1220672060.db2.gz UVCJFTMWROGTDJ-KZNAEPCWSA-N 2 0 371.522 0.444 20 0 FCADRP Cc1noc(CCC[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513746 1220672357 /nfs/dbraw/zinc/67/23/57/1220672357.db2.gz ZXXHKMZQBWJVGO-GDBMZVCRSA-N 2 0 367.494 0.573 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514420 1220673360 /nfs/dbraw/zinc/67/33/60/1220673360.db2.gz WVTBBDDMSGNDCQ-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514142 1220673577 /nfs/dbraw/zinc/67/35/77/1220673577.db2.gz OHCFCZLFFOLPDO-HLLBOEOZSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514191 1220673777 /nfs/dbraw/zinc/67/37/77/1220673777.db2.gz QCWVDTBACOLMNT-KURKYZTESA-N 2 0 365.518 0.962 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102525372 1220682165 /nfs/dbraw/zinc/68/21/65/1220682165.db2.gz ZBUMGLHCZNXGTN-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977178 1220815792 /nfs/dbraw/zinc/81/57/92/1220815792.db2.gz PTBQLKGOSVSXSM-RBSFLKMASA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103143216 1220840583 /nfs/dbraw/zinc/84/05/83/1220840583.db2.gz MRFIOWQHPVEXRV-OWCLPIDISA-N 2 0 368.522 0.293 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103143215 1220840684 /nfs/dbraw/zinc/84/06/84/1220840684.db2.gz MRFIOWQHPVEXRV-BZUAXINKSA-N 2 0 368.522 0.293 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103156485 1220841909 /nfs/dbraw/zinc/84/19/09/1220841909.db2.gz GFSUCENWPJVSPS-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232532 1220855006 /nfs/dbraw/zinc/85/50/06/1220855006.db2.gz SUGKNXQSILWDIJ-CKEIUWERSA-N 2 0 355.442 0.911 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378795 1220873282 /nfs/dbraw/zinc/87/32/82/1220873282.db2.gz KZKNOLWBRPNCLQ-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103613922 1220913693 /nfs/dbraw/zinc/91/36/93/1220913693.db2.gz BHRRKSLKMHIDPV-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103612523 1220913968 /nfs/dbraw/zinc/91/39/68/1220913968.db2.gz GYBHGQWPVONGLZ-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nc1 ZINC001103641995 1220926471 /nfs/dbraw/zinc/92/64/71/1220926471.db2.gz LTCXGTAACKBYBY-IAGOWNOFSA-N 2 0 363.506 0.937 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001229389176 1226008693 /nfs/dbraw/zinc/00/86/93/1226008693.db2.gz KNUKQQPZULXFMT-ZACQAIPSSA-N 2 0 366.506 0.345 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001104213837 1221022367 /nfs/dbraw/zinc/02/23/67/1221022367.db2.gz SUWUYYGMMVYKIQ-LVQVYYBASA-N 2 0 363.510 0.515 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751201 1221089222 /nfs/dbraw/zinc/08/92/22/1221089222.db2.gz LRMVFWGFFDYOQN-ZWOKBUDYSA-N 2 0 362.518 0.824 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001229504668 1226015116 /nfs/dbraw/zinc/01/51/16/1226015116.db2.gz XXHLMKFGVGNWIT-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP COCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811685 1221123858 /nfs/dbraw/zinc/12/38/58/1221123858.db2.gz KZDULUBZFDFAHA-OXNJRSESSA-N 2 0 363.502 0.857 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001111938248 1221178699 /nfs/dbraw/zinc/17/86/99/1221178699.db2.gz SKSLAFMJEQMKOS-JXFKEZNVSA-N 2 0 360.502 0.579 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111938129 1221179000 /nfs/dbraw/zinc/17/90/00/1221179000.db2.gz MKAIGUMKTJASBW-BXWFABGCSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001111949369 1221182244 /nfs/dbraw/zinc/18/22/44/1221182244.db2.gz AUYDPFBUEXAYJW-LNLFQRSKSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001112425616 1221257222 /nfs/dbraw/zinc/25/72/22/1221257222.db2.gz UGVNGXMSYDOAET-ZWOKBUDYSA-N 2 0 367.534 0.944 20 0 FCADRP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001112461434 1221264557 /nfs/dbraw/zinc/26/45/57/1221264557.db2.gz VJONKJUWUNIVFO-LIRRHRJNSA-N 2 0 368.441 0.585 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001229693586 1226028645 /nfs/dbraw/zinc/02/86/45/1226028645.db2.gz VPCRLXCKVRCAQT-BZUAXINKSA-N 2 0 370.538 0.885 20 0 FCADRP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229709490 1226029785 /nfs/dbraw/zinc/02/97/85/1226029785.db2.gz GDINCYPGBNGMGB-HZPDHXFCSA-N 2 0 367.494 0.906 20 0 FCADRP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229709230 1226029855 /nfs/dbraw/zinc/02/98/55/1226029855.db2.gz DXCLQHQVNMCIAQ-HZPDHXFCSA-N 2 0 365.478 0.580 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001229715856 1226030489 /nfs/dbraw/zinc/03/04/89/1226030489.db2.gz ALBVTYJHXNOHCP-RCCFBDPRSA-N 2 0 371.522 0.777 20 0 FCADRP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C1CC1 ZINC001229716962 1226030846 /nfs/dbraw/zinc/03/08/46/1226030846.db2.gz NFDYBFJTCRRVCF-IAGOWNOFSA-N 2 0 368.522 0.593 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H]3C(=O)NCC[C@@H]3C)cc2)CC1 ZINC000799346055 1221309400 /nfs/dbraw/zinc/30/94/00/1221309400.db2.gz VKRXQWVSHKUUAM-HNAYVOBHSA-N 2 0 373.501 0.881 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnc2n1CCOC2 ZINC001229859735 1226037099 /nfs/dbraw/zinc/03/70/99/1226037099.db2.gz CXHUXTQHSXJZOO-HUUCEWRRSA-N 2 0 364.494 0.667 20 0 FCADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001116971881 1221413921 /nfs/dbraw/zinc/41/39/21/1221413921.db2.gz YROCETRQDDPPNN-IRXDYDNUSA-N 2 0 366.506 0.081 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001117023003 1221434802 /nfs/dbraw/zinc/43/48/02/1221434802.db2.gz UWJFCBQNMYSJFQ-UHFFFAOYSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001117175808 1221489869 /nfs/dbraw/zinc/48/98/69/1221489869.db2.gz XJJCAWFDMGYBHT-MRXNPFEDSA-N 2 0 359.474 0.578 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001230150093 1226058918 /nfs/dbraw/zinc/05/89/18/1226058918.db2.gz VXALXUMHHCWAQO-DJIMGWMZSA-N 2 0 366.506 0.250 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001117979942 1221675589 /nfs/dbraw/zinc/67/55/89/1221675589.db2.gz BWANZLAJRMSWJV-MRXNPFEDSA-N 2 0 361.490 0.154 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC(F)(F)CN)CC2)cc1 ZINC001117985817 1221677738 /nfs/dbraw/zinc/67/77/38/1221677738.db2.gz XERGFJBAOQFYPF-UHFFFAOYSA-N 2 0 368.428 0.740 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC001118040560 1221694951 /nfs/dbraw/zinc/69/49/51/1221694951.db2.gz MAWKYFRMVAISBL-INIZCTEOSA-N 2 0 373.501 0.252 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)CC[NH2+]CC2 ZINC001118086391 1221707193 /nfs/dbraw/zinc/70/71/93/1221707193.db2.gz SJWBXJUGJKLKGQ-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP COc1cc2c(c(OC)c1OC)CCN(CC(=O)N1CC[NH2+]CC1)CC2 ZINC001118198514 1221731729 /nfs/dbraw/zinc/73/17/29/1221731729.db2.gz NSEIRMZOKRIRKJ-UHFFFAOYSA-N 2 0 363.458 0.545 20 0 FCADRP [NH3+]CCN(CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC001118286248 1221751212 /nfs/dbraw/zinc/75/12/12/1221751212.db2.gz CJQRVBTWIHRRHQ-IBGZPJMESA-N 2 0 360.502 0.628 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001230257098 1226069256 /nfs/dbraw/zinc/06/92/56/1226069256.db2.gz KEZMBBMTNGUDLT-IAGOWNOFSA-N 2 0 365.522 0.905 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001230263102 1226069785 /nfs/dbraw/zinc/06/97/85/1226069785.db2.gz HKKAXYSDGWSCJM-RBSFLKMASA-N 2 0 367.494 0.463 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001119066632 1221861853 /nfs/dbraw/zinc/86/18/53/1221861853.db2.gz NXXXVSDPSAWVGP-LJQANCHMSA-N 2 0 358.442 0.409 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119300821 1221898602 /nfs/dbraw/zinc/89/86/02/1221898602.db2.gz HVEOBAUQNLDXJL-GOSISDBHSA-N 2 0 374.533 0.968 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC001119372127 1221908955 /nfs/dbraw/zinc/90/89/55/1221908955.db2.gz ZWNMFWRXXSXVJE-QAPCUYQASA-N 2 0 370.457 0.998 20 0 FCADRP CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC001120515499 1222098803 /nfs/dbraw/zinc/09/88/03/1222098803.db2.gz XJBGRCZRZVNVCO-CVEARBPZSA-N 2 0 363.506 0.630 20 0 FCADRP CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC001120515501 1222099068 /nfs/dbraw/zinc/09/90/68/1222099068.db2.gz XJBGRCZRZVNVCO-HZPDHXFCSA-N 2 0 363.506 0.630 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001120676219 1222114769 /nfs/dbraw/zinc/11/47/69/1222114769.db2.gz VQOQWBHYUNYKHV-BRWVUGGUSA-N 2 0 365.522 0.761 20 0 FCADRP CC(CC(=O)N[C@H]1C[NH+]2CCC1CC2)CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001120774388 1222120039 /nfs/dbraw/zinc/12/00/39/1222120039.db2.gz OHCUDPOVFQVLBA-ROUUACIJSA-N 2 0 362.518 0.824 20 0 FCADRP Cn1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc21 ZINC001120955400 1222133690 /nfs/dbraw/zinc/13/36/90/1222133690.db2.gz UBIZZOTYVWKWQB-UHFFFAOYSA-N 2 0 360.462 0.464 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)C3=NOC4(C3)CC[NH2+]CC4)CC2)CC1 ZINC001121944550 1222227003 /nfs/dbraw/zinc/22/70/03/1222227003.db2.gz ATXIRNYWKNDMDE-UHFFFAOYSA-N 2 0 363.506 0.371 20 0 FCADRP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001122137011 1222243718 /nfs/dbraw/zinc/24/37/18/1222243718.db2.gz UAAIRCKKJUKIPB-BBWFWOEESA-N 3 0 367.538 0.295 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)c2ccccc2)CC1 ZINC000828503009 1222407845 /nfs/dbraw/zinc/40/78/45/1222407845.db2.gz QUPWVEDQRVIAJE-SFHVURJKSA-N 2 0 368.485 0.774 20 0 FCADRP Cc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)nn1C ZINC001138826995 1222526350 /nfs/dbraw/zinc/52/63/50/1222526350.db2.gz HUTVTSPUYFXSBQ-UHFFFAOYSA-N 2 0 362.522 0.399 20 0 FCADRP CNc1nccc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)n1 ZINC001140040397 1222565231 /nfs/dbraw/zinc/56/52/31/1222565231.db2.gz AIVBIXHKBLSZHS-UHFFFAOYSA-N 2 0 356.474 0.842 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000839287805 1222719520 /nfs/dbraw/zinc/71/95/20/1222719520.db2.gz TWMOKZOFCGANTL-UHFFFAOYSA-N 2 0 364.494 0.068 20 0 FCADRP [NH3+]CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000841047039 1222806144 /nfs/dbraw/zinc/80/61/44/1222806144.db2.gz SQXIZEQKPVWVOH-HNNXBMFYSA-N 2 0 360.458 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000841172994 1222812008 /nfs/dbraw/zinc/81/20/08/1222812008.db2.gz FWJLLPXWYKKHTD-OAHLLOKOSA-N 2 0 373.501 0.976 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000841183022 1222812518 /nfs/dbraw/zinc/81/25/18/1222812518.db2.gz QPZPBBIWVCRPAH-QGZVFWFLSA-N 2 0 361.490 0.867 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000841229967 1222815080 /nfs/dbraw/zinc/81/50/80/1222815080.db2.gz TVROSIXTNHOSLR-JKSUJKDBSA-N 2 0 373.501 0.963 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000841234317 1222815381 /nfs/dbraw/zinc/81/53/81/1222815381.db2.gz HRMDFCKDBQHWNK-HXUWFJFHSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000841277327 1222817673 /nfs/dbraw/zinc/81/76/73/1222817673.db2.gz ZKMCJZUBCZRCOW-JKSUJKDBSA-N 2 0 373.501 0.820 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191072 1222839709 /nfs/dbraw/zinc/83/97/09/1222839709.db2.gz WOGOSRUYXWDUOO-YLJYHZDGSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842190927 1222839720 /nfs/dbraw/zinc/83/97/20/1222839720.db2.gz VCYTVEMCYFJPQO-FXAWDEMLSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842274687 1222846023 /nfs/dbraw/zinc/84/60/23/1222846023.db2.gz YGDXDDJQYKLIHM-ROUUACIJSA-N 2 0 360.502 0.863 20 0 FCADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842274685 1222846195 /nfs/dbraw/zinc/84/61/95/1222846195.db2.gz YGDXDDJQYKLIHM-MSOLQXFVSA-N 2 0 360.502 0.863 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000843261984 1222867775 /nfs/dbraw/zinc/86/77/75/1222867775.db2.gz PSWVOJAWXQFJCG-SJORKVTESA-N 2 0 368.522 0.506 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354333 1222872912 /nfs/dbraw/zinc/87/29/12/1222872912.db2.gz ZCCHPXFJMZLRAS-KGLIPLIRSA-N 2 0 365.478 0.722 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CCN(CC(=O)NC)CC2)CC[N@@H+]1C ZINC001151132252 1222915771 /nfs/dbraw/zinc/91/57/71/1222915771.db2.gz OEXPGLBJEOBCPA-JKSUJKDBSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C[NH+](C)C ZINC001151536748 1222930131 /nfs/dbraw/zinc/93/01/31/1222930131.db2.gz YOOCCTAXUWHDBW-ARFHVFGLSA-N 2 0 364.494 0.126 20 0 FCADRP Nc1cccnc1N1CCN(c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001154783052 1223018630 /nfs/dbraw/zinc/01/86/30/1223018630.db2.gz ILKUKUHFXPBEBV-UHFFFAOYSA-N 2 0 354.462 0.708 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cn(C)c2ccccc12 ZINC001157337054 1223074362 /nfs/dbraw/zinc/07/43/62/1223074362.db2.gz TWSHEIGOBXIOJA-HOTGVXAUSA-N 2 0 359.474 0.408 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001157337080 1223074494 /nfs/dbraw/zinc/07/44/94/1223074494.db2.gz UERDXLOZBQEFMU-WBVHZDCISA-N 2 0 357.458 0.464 20 0 FCADRP N[C@H](C[NH3+])c1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)cc1 ZINC001157398627 1223076002 /nfs/dbraw/zinc/07/60/02/1223076002.db2.gz ILVPJVBBAMTVEU-SJORKVTESA-N 2 0 361.490 0.495 20 0 FCADRP Cc1ccc([C@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720579 1223081319 /nfs/dbraw/zinc/08/13/19/1223081319.db2.gz MCCARHSXGRMXLQ-RBUKOAKNSA-N 2 0 360.502 0.778 20 0 FCADRP CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@](C)(CO)C1 ZINC001157926514 1223083799 /nfs/dbraw/zinc/08/37/99/1223083799.db2.gz QBXMGBAHKKOELL-DOXZYTNZSA-N 2 0 368.522 0.443 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(COc2cccnc2)CC1 ZINC001157952604 1223084953 /nfs/dbraw/zinc/08/49/53/1223084953.db2.gz VACXSNSPLYLVNL-SFHVURJKSA-N 2 0 361.490 0.449 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070137 1223088042 /nfs/dbraw/zinc/08/80/42/1223088042.db2.gz BOCMQMQSHPLAPP-INIZCTEOSA-N 2 0 361.442 0.428 20 0 FCADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001158076930 1223088473 /nfs/dbraw/zinc/08/84/73/1223088473.db2.gz QOEPHDJNWHXJLB-UTKZUKDTSA-N 2 0 370.497 0.693 20 0 FCADRP Cc1ccc(C2(CC(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)CC[NH2+]CC2)cc1 ZINC001158101207 1223088864 /nfs/dbraw/zinc/08/88/64/1223088864.db2.gz HGYAKTWMZSHBOR-OAQYLSRUSA-N 2 0 370.497 0.697 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138387 1223089470 /nfs/dbraw/zinc/08/94/70/1223089470.db2.gz UATONZBIHNCEHI-QRVBRYPASA-N 2 0 373.497 0.897 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191439 1223090495 /nfs/dbraw/zinc/09/04/95/1223090495.db2.gz QCJITVBPXIHCEQ-CHLGFOLGSA-N 2 0 355.442 0.104 20 0 FCADRP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260839 1223092532 /nfs/dbraw/zinc/09/25/32/1223092532.db2.gz IHNIWWLASADMNT-HNNXBMFYSA-N 2 0 369.473 0.310 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277171 1223093682 /nfs/dbraw/zinc/09/36/82/1223093682.db2.gz LNXBGYYRUWTUAF-HNNXBMFYSA-N 3 0 363.510 0.195 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001158281840 1223093691 /nfs/dbraw/zinc/09/36/91/1223093691.db2.gz DDEIWYWAPOJKEY-IKGGRYGDSA-N 2 0 366.506 0.108 20 0 FCADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001158282642 1223094172 /nfs/dbraw/zinc/09/41/72/1223094172.db2.gz UMOUMACMZJYXCT-ZACQAIPSSA-N 2 0 366.506 0.060 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319559 1223094435 /nfs/dbraw/zinc/09/44/35/1223094435.db2.gz IEXNKNDRBDEYPR-SJORKVTESA-N 2 0 354.454 0.900 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001158411613 1223096699 /nfs/dbraw/zinc/09/66/99/1223096699.db2.gz IUDVSAXWKUJSPC-SOUVJXGZSA-N 2 0 369.510 0.435 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422189 1223097222 /nfs/dbraw/zinc/09/72/22/1223097222.db2.gz ITBRQXYBWJJIBM-ULQDDVLXSA-N 2 0 355.442 0.117 20 0 FCADRP [NH3+]C1CCN([C@@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c2ccco2)CC1 ZINC001158534848 1223101750 /nfs/dbraw/zinc/10/17/50/1223101750.db2.gz UTTAWVPGBFPQDH-QSFMABPGSA-N 2 0 374.485 0.723 20 0 FCADRP C[NH+]1CCC(N(c2cc(N3CCOCC3)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158575663 1223102815 /nfs/dbraw/zinc/10/28/15/1223102815.db2.gz QCYAKQCIWGSJOR-UHFFFAOYSA-N 2 0 360.506 0.966 20 0 FCADRP [NH3+][C@H](C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)C1CC[NH2+]CC1 ZINC001158736808 1223106581 /nfs/dbraw/zinc/10/65/81/1223106581.db2.gz KCSMPSIAGQWXSX-XSLAGTTESA-N 2 0 360.458 0.546 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158976045 1223114462 /nfs/dbraw/zinc/11/44/62/1223114462.db2.gz BKFMGVQSVRPYLO-SFHVURJKSA-N 3 0 363.550 0.604 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135060 1223118556 /nfs/dbraw/zinc/11/85/56/1223118556.db2.gz RCNDRVRAXJIYQT-LPHOPBHVSA-N 2 0 359.474 0.631 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]([NH3+])c1ccccc1)CC2 ZINC001159190760 1223120275 /nfs/dbraw/zinc/12/02/75/1223120275.db2.gz LUJMCRFEPPXFKV-MRXNPFEDSA-N 2 0 371.441 0.551 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncccc2C(=O)N2CC[NH2+]CC2)O1 ZINC001159242356 1223121807 /nfs/dbraw/zinc/12/18/07/1223121807.db2.gz DJAAKKVBQMMZDY-IIDMSEBBSA-N 2 0 363.462 0.264 20 0 FCADRP C[C@@]1(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CC[NH2+]C1 ZINC001159233914 1223121833 /nfs/dbraw/zinc/12/18/33/1223121833.db2.gz BDZCLBDFEHBQJC-LJQANCHMSA-N 2 0 354.458 0.957 20 0 FCADRP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235069 1223121858 /nfs/dbraw/zinc/12/18/58/1223121858.db2.gz QRQXXPPYPUYVNZ-HOTGVXAUSA-N 2 0 372.448 0.905 20 0 FCADRP Nc1ncn(-c2ccc3c(c2)C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159407398 1223126097 /nfs/dbraw/zinc/12/60/97/1223126097.db2.gz WNAYGSVLGCWQQU-WFASDCNBSA-N 2 0 374.876 0.582 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001159411821 1223126554 /nfs/dbraw/zinc/12/65/54/1223126554.db2.gz KFUHRVFRGDPQPH-SFHVURJKSA-N 2 0 357.502 0.846 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001159411814 1223126600 /nfs/dbraw/zinc/12/66/00/1223126600.db2.gz KFUHRVFRGDPQPH-GOSISDBHSA-N 2 0 357.502 0.846 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC3)CC1 ZINC001159426069 1223126812 /nfs/dbraw/zinc/12/68/12/1223126812.db2.gz VSRPNZFJHMZTJS-MRXNPFEDSA-N 2 0 362.522 0.736 20 0 FCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CC3(C[NH2+]C3)C1)CCC2 ZINC001159481502 1223127848 /nfs/dbraw/zinc/12/78/48/1223127848.db2.gz RQPKUGJLANXYEK-UHFFFAOYSA-N 2 0 373.501 0.815 20 0 FCADRP C[C@]1(C(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)CC[NH2+]C[C@@H]1O ZINC001159549534 1223129276 /nfs/dbraw/zinc/12/92/76/1223129276.db2.gz ONZJNRYCTPVGSY-HKUYNNGSSA-N 2 0 361.490 0.618 20 0 FCADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549176 1223129447 /nfs/dbraw/zinc/12/94/47/1223129447.db2.gz MPUVRJKPRWQWID-RVKKMQEKSA-N 2 0 359.474 0.492 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550077 1223129645 /nfs/dbraw/zinc/12/96/45/1223129645.db2.gz VLQXZHFPIYLBRS-AWEZNQCLSA-N 2 0 363.462 0.538 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)C1CC[NH2+]CC1 ZINC001159561103 1223129950 /nfs/dbraw/zinc/12/99/50/1223129950.db2.gz WJPLGNKREXJOMD-GOSISDBHSA-N 3 0 360.506 0.584 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610836 1223131199 /nfs/dbraw/zinc/13/11/99/1223131199.db2.gz UYFSPCDXDIKZCQ-MLGOLLRUSA-N 2 0 374.489 0.246 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001159665262 1223132704 /nfs/dbraw/zinc/13/27/04/1223132704.db2.gz INWQNXWPRUMQAM-QRVBRYPASA-N 3 0 373.501 0.210 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001159665261 1223132885 /nfs/dbraw/zinc/13/28/85/1223132885.db2.gz INWQNXWPRUMQAM-OTWHNJEPSA-N 3 0 373.501 0.210 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159664060 1223133088 /nfs/dbraw/zinc/13/30/88/1223133088.db2.gz VILDWLXITAXYOJ-IJEWVQPXSA-N 2 0 364.446 0.035 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159701501 1223134459 /nfs/dbraw/zinc/13/44/59/1223134459.db2.gz YDLZYBLOCPLDPC-IRXDYDNUSA-N 2 0 358.486 0.965 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@]4(C)CC[NH2+]C4)C3)O2)CC1 ZINC001159756868 1223135408 /nfs/dbraw/zinc/13/54/08/1223135408.db2.gz GKDDKFBVALFWCL-MISYRCLQSA-N 2 0 364.534 0.774 20 0 FCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4[C@@H]5C[NH2+]C[C@@H]54)C3)O2)CC1 ZINC001159757890 1223135763 /nfs/dbraw/zinc/13/57/63/1223135763.db2.gz KZLKEYPKGBWZTF-PKRADWSKSA-N 2 0 362.518 0.239 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853189 1223137929 /nfs/dbraw/zinc/13/79/29/1223137929.db2.gz ALFBTYUELNABKH-NXHRZFHOSA-N 3 0 374.460 0.299 20 0 FCADRP CC(=O)OC[C@H](N)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855226 1223138254 /nfs/dbraw/zinc/13/82/54/1223138254.db2.gz JDWYXVVJQVPQEP-PVAVHDDUSA-N 2 0 365.405 0.380 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159887453 1223138846 /nfs/dbraw/zinc/13/88/46/1223138846.db2.gz VVXHRGOJYJEEQN-NVXWUHKLSA-N 2 0 368.428 0.851 20 0 FCADRP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159967122 1223141305 /nfs/dbraw/zinc/14/13/05/1223141305.db2.gz LDEIOXBBKAXMMO-COXVUDFISA-N 2 0 372.444 0.308 20 0 FCADRP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160054034 1223143412 /nfs/dbraw/zinc/14/34/12/1223143412.db2.gz WNFWVCLKQLWBPF-NQIIRXRSSA-N 3 0 369.513 0.848 20 0 FCADRP c1ccc(N2CC[NH2+]CC2)c(CNc2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC001160108411 1223145881 /nfs/dbraw/zinc/14/58/81/1223145881.db2.gz MXFXRXZKOOYSGY-UHFFFAOYSA-N 2 0 353.474 0.908 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129657 1223146368 /nfs/dbraw/zinc/14/63/68/1223146368.db2.gz ZPMQKLJKCOQRCW-OAHLLOKOSA-N 2 0 370.457 0.678 20 0 FCADRP [NH3+]Cc1ccc2cn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)nc2c1 ZINC001160140643 1223146590 /nfs/dbraw/zinc/14/65/90/1223146590.db2.gz RCSLGQSICSGVGB-UHFFFAOYSA-N 2 0 351.414 0.714 20 0 FCADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155132 1223147332 /nfs/dbraw/zinc/14/73/32/1223147332.db2.gz DSFDJBVYARXUTF-HCXYKTFWSA-N 2 0 362.518 0.382 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171537 1223147377 /nfs/dbraw/zinc/14/73/77/1223147377.db2.gz NTLQKTOSRIRQAM-KSSFIOAISA-N 2 0 366.469 0.827 20 0 FCADRP CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160271710 1223152614 /nfs/dbraw/zinc/15/26/14/1223152614.db2.gz XBOHLGYAQWRGAY-CVEARBPZSA-N 2 0 368.522 0.566 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)CCC2 ZINC001160370986 1223156858 /nfs/dbraw/zinc/15/68/58/1223156858.db2.gz FGPRPRYMYLPAAR-GJZGRUSLSA-N 2 0 367.469 0.784 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CCCCNC(N)=[NH2+])CC1 ZINC001160392446 1223157331 /nfs/dbraw/zinc/15/73/31/1223157331.db2.gz YWSYORFRAADARD-UHFFFAOYSA-N 2 0 366.510 0.185 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001160424479 1223159049 /nfs/dbraw/zinc/15/90/49/1223159049.db2.gz VAULNAONMSXBRE-MJKGWSOKSA-N 2 0 357.502 0.831 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001160421616 1223159225 /nfs/dbraw/zinc/15/92/25/1223159225.db2.gz CEIKVMPNZMYLRZ-SIZVQLJJSA-N 2 0 357.502 0.830 20 0 FCADRP C[NH2+]CC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001160459428 1223160742 /nfs/dbraw/zinc/16/07/42/1223160742.db2.gz LFUIKRAKYGNHAH-OALUTQOASA-N 2 0 372.513 0.924 20 0 FCADRP C[C@H]1C(=O)NCCN1C(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160450318 1223160868 /nfs/dbraw/zinc/16/08/68/1223160868.db2.gz CZXJWTUTVLYAGS-YRISNDGFSA-N 2 0 370.497 0.835 20 0 FCADRP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160613052 1223166722 /nfs/dbraw/zinc/16/67/22/1223166722.db2.gz MCIOBBJUHIYEBA-IRXDYDNUSA-N 2 0 370.497 0.664 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641052 1223167264 /nfs/dbraw/zinc/16/72/64/1223167264.db2.gz VLQCHGNWHSURST-SJORKVTESA-N 2 0 370.453 0.371 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])[C@@H](C)OC(C)(C)C)C[C@H]1C2 ZINC001160791961 1223173140 /nfs/dbraw/zinc/17/31/40/1223173140.db2.gz JMICOHPDIAABHH-AJVCIKEGSA-N 2 0 367.490 0.374 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C2 ZINC001160803627 1223174016 /nfs/dbraw/zinc/17/40/16/1223174016.db2.gz GGCDDVGMCVGMFI-DEWZPKMOSA-N 2 0 354.410 0.805 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[C@]4(C3)C[NH2+]CCO4)C[C@H]1C[NH2+]CC2 ZINC001160810578 1223174708 /nfs/dbraw/zinc/17/47/08/1223174708.db2.gz CMSYNIZNROHDQU-QGWWYQLQSA-N 2 0 365.474 0.146 20 0 FCADRP O=C(N1CCC2(CC1)OC(=O)c1ncccc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160878915 1223179046 /nfs/dbraw/zinc/17/90/46/1223179046.db2.gz NYVKBOCCBXTVHJ-FZKQIMNGSA-N 2 0 356.426 0.269 20 0 FCADRP CC1(C)N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC[C@@]12c1ccccc1OC2=O ZINC001161160877 1223188083 /nfs/dbraw/zinc/18/80/83/1223188083.db2.gz IKFOEJIIIMXOGJ-XOBRGWDASA-N 2 0 355.438 0.663 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196506 1223188474 /nfs/dbraw/zinc/18/84/74/1223188474.db2.gz KIXVTLFNWUMFGZ-UHFFFAOYSA-N 2 0 364.534 0.537 20 0 FCADRP CC(C)(C)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1CC[NH2+]CC1 ZINC001161262394 1223192694 /nfs/dbraw/zinc/19/26/94/1223192694.db2.gz YEHNWAVRLCUMRM-HNNXBMFYSA-N 2 0 370.538 0.872 20 0 FCADRP [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001161293953 1223193577 /nfs/dbraw/zinc/19/35/77/1223193577.db2.gz FBSJEFNBXOTFQF-SHTZXODSSA-N 2 0 354.462 0.243 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C2CCOCC2)CC1 ZINC001161315878 1223195854 /nfs/dbraw/zinc/19/58/54/1223195854.db2.gz DOGRSSOSEYWFEG-BZUAXINKSA-N 2 0 361.490 0.880 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378299 1223197077 /nfs/dbraw/zinc/19/70/77/1223197077.db2.gz LUCIQPVBGVOBKT-OALUTQOASA-N 2 0 373.545 0.906 20 0 FCADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376726 1223197183 /nfs/dbraw/zinc/19/71/83/1223197183.db2.gz CSFREWUSZAZLSS-RTBURBONSA-N 2 0 360.502 0.945 20 0 FCADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377549 1223197262 /nfs/dbraw/zinc/19/72/62/1223197262.db2.gz HMFAARYGZJHESP-CVEARBPZSA-N 2 0 368.522 0.850 20 0 FCADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161446567 1223199647 /nfs/dbraw/zinc/19/96/47/1223199647.db2.gz SMUNDDHOQMMDHB-OALUTQOASA-N 3 0 362.518 0.933 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1ccc(C)cc1C)CC2 ZINC001161479965 1223200746 /nfs/dbraw/zinc/20/07/46/1223200746.db2.gz RGEJMXDXBGUWED-ZWOKBUDYSA-N 2 0 359.470 0.927 20 0 FCADRP C[C@]1(C[NH3+])CCCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001161488824 1223201813 /nfs/dbraw/zinc/20/18/13/1223201813.db2.gz OFIGHJLWCMVNRL-MAUKXSAKSA-N 2 0 358.446 0.591 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])Cc1cn(COCc2ccccc2)cn1 ZINC001161526433 1223203635 /nfs/dbraw/zinc/20/36/35/1223203635.db2.gz GGISDABWEAUJRL-HFTRVMKXSA-N 2 0 357.458 0.875 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161579349 1223205076 /nfs/dbraw/zinc/20/50/76/1223205076.db2.gz CKKVWXYQMIJPKJ-MRXNPFEDSA-N 2 0 359.474 0.426 20 0 FCADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584491 1223205112 /nfs/dbraw/zinc/20/51/12/1223205112.db2.gz BSYUJXBIBBAOGC-FUHWJXTLSA-N 2 0 357.454 0.801 20 0 FCADRP COC[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162282926 1223212805 /nfs/dbraw/zinc/21/28/05/1223212805.db2.gz AIONWJINDRMYHU-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1cnc(C[NH3+])c1 ZINC001162296870 1223213157 /nfs/dbraw/zinc/21/31/57/1223213157.db2.gz OLWVEWWGWQAYJK-ZDUSSCGKSA-N 2 0 361.446 0.832 20 0 FCADRP COC(=O)C1CCN(c2ccnc(NCCC[NH2+]CCCC[NH3+])n2)CC1 ZINC001162291347 1223213496 /nfs/dbraw/zinc/21/34/96/1223213496.db2.gz CQQGCUUNGOFTID-UHFFFAOYSA-N 2 0 364.494 0.997 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001162540640 1223218066 /nfs/dbraw/zinc/21/80/66/1223218066.db2.gz ALSXSXRZPNKCCR-NSHDSACASA-N 2 0 355.402 0.627 20 0 FCADRP O=C(c1ccc(NCc2nnc3n2CCC[NH2+]C3)cc1)N1CC[NH2+]CC1 ZINC001163027489 1223224397 /nfs/dbraw/zinc/22/43/97/1223224397.db2.gz NFQDIFBULNBWNH-UHFFFAOYSA-N 2 0 355.446 0.429 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nn2)CC1 ZINC001163167908 1223227681 /nfs/dbraw/zinc/22/76/81/1223227681.db2.gz RIFXTQRCDMCNQV-FRFSOERESA-N 2 0 374.489 0.337 20 0 FCADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001165311319 1223244193 /nfs/dbraw/zinc/24/41/93/1223244193.db2.gz JIQGUIHGEJYBKY-UHFFFAOYSA-N 2 0 354.462 0.182 20 0 FCADRP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001205204263 1223316501 /nfs/dbraw/zinc/31/65/01/1223316501.db2.gz ULQULWHHRNDHPD-BHIYHBOVSA-N 2 0 363.502 0.783 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432865 1223323258 /nfs/dbraw/zinc/32/32/58/1223323258.db2.gz RTANNEVECIGRIS-DLBZAZTESA-N 2 0 364.465 0.798 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC2(CC[NH+]([C@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513568 1223329628 /nfs/dbraw/zinc/32/96/28/1223329628.db2.gz OQXCOWLPYHRHNS-OWCLPIDISA-N 2 0 366.506 0.141 20 0 FCADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205519328 1223330057 /nfs/dbraw/zinc/33/00/57/1223330057.db2.gz GZIAHDHUIVPLAD-JKSUJKDBSA-N 2 0 366.506 0.012 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205664706 1223334529 /nfs/dbraw/zinc/33/45/29/1223334529.db2.gz SUMXXGQAOSCFFI-DOTOQJQBSA-N 2 0 364.465 0.798 20 0 FCADRP CN1CCN(c2ncnc3c2CC[N@H+](CC2CC[NH+](C)CC2)CC3)CC1 ZINC001207398098 1223443113 /nfs/dbraw/zinc/44/31/13/1223443113.db2.gz WDFSSQYWNBQHGM-UHFFFAOYSA-N 2 0 358.534 0.971 20 0 FCADRP O=C(NC[C@@H]1Cn2ccnc2C[N@H+](CC2CC[NH2+]CC2)C1)c1ccnnc1 ZINC001207436638 1223446583 /nfs/dbraw/zinc/44/65/83/1223446583.db2.gz GCPQGZMMAJOGMG-INIZCTEOSA-N 2 0 369.473 0.535 20 0 FCADRP COc1ccc(CN2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC001276542825 1223462858 /nfs/dbraw/zinc/46/28/58/1223462858.db2.gz FRDRZXZQBVCFEX-LJQANCHMSA-N 2 0 362.474 0.703 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705672 1223472883 /nfs/dbraw/zinc/47/28/83/1223472883.db2.gz GUNXOBHZHRXPMD-BZUAXINKSA-N 2 0 368.522 0.258 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946948 1223499594 /nfs/dbraw/zinc/49/95/94/1223499594.db2.gz SYEGTNQYLXNQAY-UKPHBRMFSA-N 2 0 359.430 0.325 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001208073058 1223513138 /nfs/dbraw/zinc/51/31/38/1223513138.db2.gz AVPBIURYBRDSNW-SOUVJXGZSA-N 2 0 363.462 0.924 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001208071234 1223513632 /nfs/dbraw/zinc/51/36/32/1223513632.db2.gz YDWMQKVXICPTGY-RBSFLKMASA-N 2 0 363.462 0.842 20 0 FCADRP CC(=O)N1CC2(C1)C[N@@H+](CC1(C[NH+](C)C)CCCC1)C[C@H]2C(=O)N(C)C ZINC001208188890 1223521190 /nfs/dbraw/zinc/52/11/90/1223521190.db2.gz OXUAFBRKIAKFNH-KRWDZBQOSA-N 2 0 364.534 0.977 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604187 1223562361 /nfs/dbraw/zinc/56/23/61/1223562361.db2.gz CYDCCRJKLWBGNE-BRWVUGGUSA-N 2 0 371.522 0.179 20 0 FCADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611962 1223563576 /nfs/dbraw/zinc/56/35/76/1223563576.db2.gz YVVHSLNAPFUSEV-QZTJIDSGSA-N 2 0 365.518 0.916 20 0 FCADRP C[NH+](C)CCCN1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276609910 1223593986 /nfs/dbraw/zinc/59/39/86/1223593986.db2.gz MMTQRNNJSLLTJQ-FQEVSTJZSA-N 2 0 365.566 0.643 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CC3COC(C)(C)OC3)CC[C@@H]2C1 ZINC001209195135 1223602551 /nfs/dbraw/zinc/60/25/51/1223602551.db2.gz CYYIWNNRVSCYER-IAGOWNOFSA-N 2 0 369.506 0.496 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001276629884 1223608134 /nfs/dbraw/zinc/60/81/34/1223608134.db2.gz BJZRBEFIDZLZKV-GOSISDBHSA-N 3 0 365.566 0.404 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(C2)CN(C2CCCC2)C(=O)CO3)CC1 ZINC001276630191 1223608832 /nfs/dbraw/zinc/60/88/32/1223608832.db2.gz LVDFBTPXGCENGL-HXUWFJFHSA-N 2 0 364.534 0.870 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@]3(C2)CN(C2CCCC2)C(=O)CO3)CC1 ZINC001276630190 1223608996 /nfs/dbraw/zinc/60/89/96/1223608996.db2.gz LVDFBTPXGCENGL-FQEVSTJZSA-N 2 0 364.534 0.870 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CCCC1OCCO1)CC2 ZINC001209302860 1223609811 /nfs/dbraw/zinc/60/98/11/1223609811.db2.gz JKRWGYWBNXEJGW-UHFFFAOYSA-N 2 0 368.522 0.310 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4cnccc34)C2)OCC1=O ZINC001276631772 1223609817 /nfs/dbraw/zinc/60/98/17/1223609817.db2.gz ATOMPTDYPXDVHP-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276636455 1223613592 /nfs/dbraw/zinc/61/35/92/1223613592.db2.gz NPLDBLAHHDBERB-HXUWFJFHSA-N 2 0 366.550 0.831 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)CC1 ZINC001276636712 1223613818 /nfs/dbraw/zinc/61/38/18/1223613818.db2.gz ROGPVXKXPZBTDN-IBGZPJMESA-N 2 0 361.490 0.879 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)CC1 ZINC001276636714 1223613976 /nfs/dbraw/zinc/61/39/76/1223613976.db2.gz ROGPVXKXPZBTDN-LJQANCHMSA-N 2 0 361.490 0.879 20 0 FCADRP CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829929 1223651962 /nfs/dbraw/zinc/65/19/62/1223651962.db2.gz NZGSBHLOIITPMM-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001209971694 1223659444 /nfs/dbraw/zinc/65/94/44/1223659444.db2.gz DNBWCSLQWJBXLI-FHLIZLRMSA-N 2 0 358.442 0.930 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298727 1223681519 /nfs/dbraw/zinc/68/15/19/1223681519.db2.gz RYLHKQKYBVKMPF-FGTMMUONSA-N 2 0 371.522 0.587 20 0 FCADRP C[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329574 1223683097 /nfs/dbraw/zinc/68/30/97/1223683097.db2.gz DMPGOTOBNYNAIS-IAGOWNOFSA-N 2 0 360.506 0.981 20 0 FCADRP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684806 1223693875 /nfs/dbraw/zinc/69/38/75/1223693875.db2.gz FCPNSPQHIFUZEJ-OXJNMPFZSA-N 2 0 359.470 0.954 20 0 FCADRP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684808 1223693898 /nfs/dbraw/zinc/69/38/98/1223693898.db2.gz FCPNSPQHIFUZEJ-OXQOHEQNSA-N 2 0 359.470 0.954 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211039669 1223720982 /nfs/dbraw/zinc/72/09/82/1223720982.db2.gz SXVMYJBVNQDYLV-SOLBZPMBSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211073276 1223723288 /nfs/dbraw/zinc/72/32/88/1223723288.db2.gz ANIAXCAZMOXPGX-HUUCEWRRSA-N 2 0 364.494 0.311 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301732 1223733402 /nfs/dbraw/zinc/73/34/02/1223733402.db2.gz ZTOVRKZXWHGMRR-KZNAEPCWSA-N 2 0 363.506 0.557 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366822 1223737583 /nfs/dbraw/zinc/73/75/83/1223737583.db2.gz KNOBTYOAHPFZIG-NXHRZFHOSA-N 2 0 368.522 0.450 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001211367403 1223737773 /nfs/dbraw/zinc/73/77/73/1223737773.db2.gz SLPRYFPJTCKGJF-SOLBZPMBSA-N 2 0 367.490 0.934 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001211451694 1223743257 /nfs/dbraw/zinc/74/32/57/1223743257.db2.gz FUOJKXRJNWVPFU-BFYDXBDKSA-N 2 0 362.430 0.490 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342486 1223788803 /nfs/dbraw/zinc/78/88/03/1223788803.db2.gz ZZXBUZAUSPMLTF-GVDBMIGSSA-N 2 0 369.506 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380449 1223792953 /nfs/dbraw/zinc/79/29/53/1223792953.db2.gz RRSHWQDZERVUFN-JFIYKMOQSA-N 2 0 368.522 0.401 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676014 1223831065 /nfs/dbraw/zinc/83/10/65/1223831065.db2.gz LJJNRKXZKFZNPR-IPMKNSEASA-N 2 0 363.502 0.747 20 0 FCADRP CO[C@@H]1CN([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730332 1223840025 /nfs/dbraw/zinc/84/00/25/1223840025.db2.gz LPSDMTJWKPIVLD-DJIMGWMZSA-N 2 0 365.478 0.240 20 0 FCADRP COc1ccc(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213728898 1223840061 /nfs/dbraw/zinc/84/00/61/1223840061.db2.gz YSKFZYJEUQSPQN-QZTJIDSGSA-N 2 0 365.474 0.589 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213755461 1223844622 /nfs/dbraw/zinc/84/46/22/1223844622.db2.gz AVVWSHMGIADEAT-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213757403 1223844850 /nfs/dbraw/zinc/84/48/50/1223844850.db2.gz HMGDGKYSUMXUGK-IAGOWNOFSA-N 2 0 363.506 0.805 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759365 1223845586 /nfs/dbraw/zinc/84/55/86/1223845586.db2.gz HSGMNNJFLMOUQI-USXIJHARSA-N 2 0 368.522 0.591 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213864026 1223863562 /nfs/dbraw/zinc/86/35/62/1223863562.db2.gz YAZZRQFDRZKJFE-KBAYOESNSA-N 2 0 369.506 0.339 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214646716 1223929014 /nfs/dbraw/zinc/92/90/14/1223929014.db2.gz XHPYHSKZWPWGSH-ZTFGCOKTSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214648860 1223929326 /nfs/dbraw/zinc/92/93/26/1223929326.db2.gz ZLOALAIRBGEVBP-BPQIPLTHSA-N 2 0 362.518 0.777 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001214754931 1223938453 /nfs/dbraw/zinc/93/84/53/1223938453.db2.gz LRSRSLMIJSWUKJ-RBSFLKMASA-N 2 0 370.469 0.252 20 0 FCADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847940 1223947806 /nfs/dbraw/zinc/94/78/06/1223947806.db2.gz ZLNKQKCEZSQNAM-OWCLPIDISA-N 2 0 368.522 0.448 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861133 1223948966 /nfs/dbraw/zinc/94/89/66/1223948966.db2.gz IZHAHKDTMJPQKI-VNHYZAJKSA-N 2 0 367.494 0.141 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C ZINC001214964772 1223960369 /nfs/dbraw/zinc/96/03/69/1223960369.db2.gz RBPVVGDONVNPOG-QMTHXVAHSA-N 2 0 358.402 0.069 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C1CC1 ZINC001215058309 1223968974 /nfs/dbraw/zinc/96/89/74/1223968974.db2.gz JTENJRUBPCDLBD-BFYDXBDKSA-N 2 0 362.518 0.966 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215121896 1223975436 /nfs/dbraw/zinc/97/54/36/1223975436.db2.gz IHHLXBIRASYYLS-UKPHBRMFSA-N 2 0 359.430 0.325 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001215380872 1223994983 /nfs/dbraw/zinc/99/49/83/1223994983.db2.gz DWQWUNXMOLUJFS-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397063 1223996372 /nfs/dbraw/zinc/99/63/72/1223996372.db2.gz QXEDTWCHIMMIQX-MXSMSXNCSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215557935 1224005838 /nfs/dbraw/zinc/00/58/38/1224005838.db2.gz FLTNJAXDUOIPKY-IXDOHACOSA-N 2 0 363.506 0.412 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]CCOCCO ZINC001215557976 1224006032 /nfs/dbraw/zinc/00/60/32/1224006032.db2.gz HUCMRYQIKDJFEF-IEBWSBKVSA-N 2 0 363.502 0.606 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551417 1224006103 /nfs/dbraw/zinc/00/61/03/1224006103.db2.gz QTTQUJNTKLJZEC-HZPDHXFCSA-N 2 0 367.538 0.862 20 0 FCADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215574685 1224007247 /nfs/dbraw/zinc/00/72/47/1224007247.db2.gz AXNCEDFEDGISLA-KFWWJZLASA-N 2 0 369.510 0.389 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[N@@H+]1C ZINC000978183163 1248719438 /nfs/dbraw/zinc/71/94/38/1248719438.db2.gz RNAQNIWEIOKHLN-PYJZQUQOSA-N 2 0 370.497 0.920 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1 ZINC001216212701 1224039218 /nfs/dbraw/zinc/03/92/18/1224039218.db2.gz CXPHIGACEHENLC-UKRRQHHQSA-N 2 0 364.494 0.445 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)no1 ZINC001216383312 1224047704 /nfs/dbraw/zinc/04/77/04/1224047704.db2.gz KASZHCAGFZXINS-VHDGCEQUSA-N 2 0 363.462 0.700 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001216402000 1224048460 /nfs/dbraw/zinc/04/84/60/1224048460.db2.gz RPWMIPZHXZBDKL-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216406023 1224049274 /nfs/dbraw/zinc/04/92/74/1224049274.db2.gz WHVDJBDCIZDBTQ-SJLPKXTDSA-N 2 0 370.497 0.835 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001216459202 1224052605 /nfs/dbraw/zinc/05/26/05/1224052605.db2.gz RDHLFRQCPRFIRJ-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216490443 1224052877 /nfs/dbraw/zinc/05/28/77/1224052877.db2.gz DILKVNBNNPEPGB-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490380 1224052935 /nfs/dbraw/zinc/05/29/35/1224052935.db2.gz ALMAJDCFVBRAQC-RBSFLKMASA-N 2 0 369.510 0.389 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001216499852 1224053871 /nfs/dbraw/zinc/05/38/71/1224053871.db2.gz UFAFXRBKBDTKJD-NVXWUHKLSA-N 2 0 361.490 0.476 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216754026 1224068546 /nfs/dbraw/zinc/06/85/46/1224068546.db2.gz DWXWCXPRXSLSTM-NVXWUHKLSA-N 2 0 359.474 0.230 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216758200 1224069449 /nfs/dbraw/zinc/06/94/49/1224069449.db2.gz ZHTQYYLROGGOSS-RHSMWYFYSA-N 2 0 360.458 0.863 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001216757897 1224069615 /nfs/dbraw/zinc/06/96/15/1224069615.db2.gz QCQPLDWUWRVOFR-BZUAXINKSA-N 2 0 368.522 0.306 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216774414 1224071621 /nfs/dbraw/zinc/07/16/21/1224071621.db2.gz WSNMWKFULPBZDW-RBSFLKMASA-N 2 0 367.494 0.272 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838693 1224077375 /nfs/dbraw/zinc/07/73/75/1224077375.db2.gz BQIZDNAWIQBXGR-FGTMMUONSA-N 2 0 371.522 0.323 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000827240203 1245323165 /nfs/dbraw/zinc/32/31/65/1245323165.db2.gz IHEQXQPROIWGSR-KRWDZBQOSA-N 2 0 359.474 0.635 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000848932783 1245387586 /nfs/dbraw/zinc/38/75/86/1245387586.db2.gz VBXYZJAABLJVBN-CVEARBPZSA-N 2 0 366.506 0.299 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891512588 1245452064 /nfs/dbraw/zinc/45/20/64/1245452064.db2.gz PYQVMZRDEUHMMS-MRXNPFEDSA-N 2 0 361.494 0.512 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575906 1245455812 /nfs/dbraw/zinc/45/58/12/1245455812.db2.gz IUOUNTOQUDHOJT-FPCVCCKLSA-N 2 0 363.462 0.047 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000911516498 1245504816 /nfs/dbraw/zinc/50/48/16/1245504816.db2.gz KZABDGJPSZQVBX-CGTJXYLNSA-N 2 0 356.470 0.814 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000911516370 1245504913 /nfs/dbraw/zinc/50/49/13/1245504913.db2.gz BAOZJSKAGNPRCJ-QZTJIDSGSA-N 2 0 356.470 0.814 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000911518655 1245505647 /nfs/dbraw/zinc/50/56/47/1245505647.db2.gz ZRWAPVSPVMBYBD-DTTOXWODSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556036 1245513136 /nfs/dbraw/zinc/51/31/36/1245513136.db2.gz INSRHHINUPEWGR-CVEARBPZSA-N 2 0 366.506 0.347 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1=O ZINC000922867958 1245690732 /nfs/dbraw/zinc/69/07/32/1245690732.db2.gz NKTCFARGLAYASE-OAHLLOKOSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325243 1245709525 /nfs/dbraw/zinc/70/95/25/1245709525.db2.gz BJGIUHFPOOSNEZ-HUUCEWRRSA-N 2 0 365.478 0.663 20 0 FCADRP O=C(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000923520732 1245724706 /nfs/dbraw/zinc/72/47/06/1245724706.db2.gz VNCHWAOWXTUYRX-UONOGXRCSA-N 2 0 363.462 0.204 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@H]4CCCOC4)C3)CC2)CC[N@@H+]1C ZINC000941414042 1246610276 /nfs/dbraw/zinc/61/02/76/1246610276.db2.gz LBEQLGXWGUXTAP-ZHALLVOQSA-N 2 0 364.534 0.582 20 0 FCADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553413 1247128916 /nfs/dbraw/zinc/12/89/16/1247128916.db2.gz WWGOLILTOPPVNN-DJIMGWMZSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC3)CC[N@@H+]1C ZINC000944940948 1247686900 /nfs/dbraw/zinc/68/69/00/1247686900.db2.gz PYVKDTOXVHFGMM-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)CC2)CC[N@@H+]1C ZINC000944948017 1247689088 /nfs/dbraw/zinc/68/90/88/1247689088.db2.gz RWEKPEBDTDLWAJ-IXDOHACOSA-N 2 0 362.518 0.729 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946430296 1247813319 /nfs/dbraw/zinc/81/33/19/1247813319.db2.gz YNDLISQDHYYGLS-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595432 1247906960 /nfs/dbraw/zinc/90/69/60/1247906960.db2.gz ZFOMCTWENKTOCT-SFFUCWETSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000976595611 1248268985 /nfs/dbraw/zinc/26/89/85/1248268985.db2.gz NWZWDHWNSFCVKW-JMVPUORKSA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823262 1250992967 /nfs/dbraw/zinc/99/29/67/1250992967.db2.gz DYKCELRGQCGDSB-MJBXVCDLSA-N 2 0 364.494 0.165 20 0 FCADRP NC(=O)C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481220 1265559743 /nfs/dbraw/zinc/55/97/43/1265559743.db2.gz BWKJFQGJXRLLFI-GJZGRUSLSA-N 2 0 359.474 0.476 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000996601854 1251402913 /nfs/dbraw/zinc/40/29/13/1251402913.db2.gz AMQWNGBLCDSTHW-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000997035229 1251475448 /nfs/dbraw/zinc/47/54/48/1251475448.db2.gz UPANCIDBYGCFDK-QYZOEREBSA-N 2 0 370.497 0.801 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000997792669 1251709402 /nfs/dbraw/zinc/70/94/02/1251709402.db2.gz JMERZONHRAVLBL-HRCADAONSA-N 2 0 364.490 0.350 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998652529 1251941321 /nfs/dbraw/zinc/94/13/21/1251941321.db2.gz BMBAAYJMMYADSK-NCOADZHNSA-N 2 0 360.502 0.672 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001517857111 1265635850 /nfs/dbraw/zinc/63/58/50/1265635850.db2.gz PDZLHUROAGZKON-INIZCTEOSA-N 2 0 373.501 0.977 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001002790619 1252674868 /nfs/dbraw/zinc/67/48/68/1252674868.db2.gz NTQZCGBWOLWROO-VQHPVUNQSA-N 2 0 360.502 0.815 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2)C12CC[NH+](CC1)C2 ZINC001004390661 1253312125 /nfs/dbraw/zinc/31/21/25/1253312125.db2.gz KGRUQCSSQOZUCT-XDNAFOTISA-N 2 0 372.513 0.672 20 0 FCADRP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC1 ZINC001004392674 1253312415 /nfs/dbraw/zinc/31/24/15/1253312415.db2.gz WNDCEOMILYFNFH-ZACQAIPSSA-N 2 0 360.502 0.672 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001005408282 1253547781 /nfs/dbraw/zinc/54/77/81/1253547781.db2.gz WKFITYVOTCBTNR-KBAYOESNSA-N 2 0 363.506 0.507 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC001022149249 1253786815 /nfs/dbraw/zinc/78/68/15/1253786815.db2.gz PCXXOQWCAWNXGA-YXJHDRRASA-N 2 0 367.453 0.959 20 0 FCADRP CC(C)C[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001519838601 1265781936 /nfs/dbraw/zinc/78/19/36/1265781936.db2.gz HWBWSKRHNFCDNO-UHFFFAOYSA-N 2 0 350.511 0.765 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC001329562616 1265782051 /nfs/dbraw/zinc/78/20/51/1265782051.db2.gz GGQUAGFGIURQRI-ROUUACIJSA-N 2 0 356.470 0.602 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC3(C[NH+](CCO)C3)CC2)CC1 ZINC001035707012 1254057799 /nfs/dbraw/zinc/05/77/99/1254057799.db2.gz BENCOYCHCOZJEW-MSOLQXFVSA-N 2 0 365.518 0.650 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031434 1265832255 /nfs/dbraw/zinc/83/22/55/1265832255.db2.gz PJEOXESATSALSQ-WMZOPIPTSA-N 2 0 350.507 0.336 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031431 1265832067 /nfs/dbraw/zinc/83/20/67/1265832067.db2.gz PJEOXESATSALSQ-FUHWJXTLSA-N 2 0 350.507 0.336 20 0 FCADRP OCC1(O)CC[NH+](Cc2ccccc2C[NH+]2CCC(O)(CO)CC2)CC1 ZINC001329910384 1265889696 /nfs/dbraw/zinc/88/96/96/1265889696.db2.gz DIWDKSUTUAPYRU-UHFFFAOYSA-N 2 0 364.486 0.325 20 0 FCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798711 1254618877 /nfs/dbraw/zinc/61/88/77/1254618877.db2.gz LOCZKTDLVJGQBI-QXAKKESOSA-N 2 0 357.502 0.837 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077685184 1254879828 /nfs/dbraw/zinc/87/98/28/1254879828.db2.gz CNBOJKLSGRFKOE-BHIYHBOVSA-N 2 0 361.486 0.602 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)CC1 ZINC001077778993 1254981169 /nfs/dbraw/zinc/98/11/69/1254981169.db2.gz BNNNQYURONNNIC-RTBURBONSA-N 2 0 361.486 0.959 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)cn1 ZINC001077818385 1255018573 /nfs/dbraw/zinc/01/85/73/1255018573.db2.gz RJIHOOCFUNADOI-HUUCEWRRSA-N 2 0 371.432 0.265 20 0 FCADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001330085066 1265939384 /nfs/dbraw/zinc/93/93/84/1265939384.db2.gz MSIWOLRPFJKUQO-OKZBNKHCSA-N 2 0 356.470 0.736 20 0 FCADRP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078005338 1255162622 /nfs/dbraw/zinc/16/26/22/1255162622.db2.gz APGIFZNEAGULKT-QXAKKESOSA-N 2 0 361.486 0.836 20 0 FCADRP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1C ZINC001078011656 1255167794 /nfs/dbraw/zinc/16/77/94/1255167794.db2.gz AQSLIQNFZXZCEX-IAGOWNOFSA-N 2 0 359.470 0.761 20 0 FCADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012787 1255168708 /nfs/dbraw/zinc/16/87/08/1255168708.db2.gz AGJXGWWKILWKEC-SJLPKXTDSA-N 2 0 358.486 0.510 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CCC1 ZINC001078017926 1255172998 /nfs/dbraw/zinc/17/29/98/1255172998.db2.gz FASDJYRYUTZAMV-NXHRZFHOSA-N 2 0 362.474 0.738 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175837 1255290309 /nfs/dbraw/zinc/29/03/09/1255290309.db2.gz OVMNTWAILYCWQK-BHIYHBOVSA-N 2 0 369.469 0.485 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)o1 ZINC001078261902 1255369387 /nfs/dbraw/zinc/36/93/87/1255369387.db2.gz JQZLFSMZWXHHHA-DJIMGWMZSA-N 2 0 365.474 0.933 20 0 FCADRP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)nn1C ZINC001078405752 1255408718 /nfs/dbraw/zinc/40/87/18/1255408718.db2.gz XDGKIDZJXDLKNK-KBAYOESNSA-N 2 0 363.506 0.776 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001330213989 1265965873 /nfs/dbraw/zinc/96/58/73/1265965873.db2.gz HFQBDOLFPBNKOO-QGZVFWFLSA-N 2 0 361.490 0.304 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079149682 1255460512 /nfs/dbraw/zinc/46/05/12/1255460512.db2.gz FUQDCPHHEGDMQB-BBWFWOEESA-N 2 0 362.449 0.679 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079258022 1255491105 /nfs/dbraw/zinc/49/11/05/1255491105.db2.gz JNOHQTPBBJCSOT-ZWKOTPCHSA-N 2 0 365.518 0.650 20 0 FCADRP CC[C@@H](C(=O)N1CC2(CC[NH+](CC(=O)NC)CC2)[C@H]2COC[C@H]21)[NH+](C)C ZINC001079260871 1255491992 /nfs/dbraw/zinc/49/19/92/1255491992.db2.gz UDHOEUKTIQYSEP-HRCADAONSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079310671 1255505418 /nfs/dbraw/zinc/50/54/18/1255505418.db2.gz CRFBXGPMLIQYCX-JLJPHGGASA-N 2 0 362.449 0.537 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698147 1255577937 /nfs/dbraw/zinc/57/79/37/1255577937.db2.gz LUTCRBXZCABURG-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311214 1255834278 /nfs/dbraw/zinc/83/42/78/1255834278.db2.gz VZNWBAAGKRVAEN-BRWVUGGUSA-N 2 0 365.522 0.570 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081124393 1256188184 /nfs/dbraw/zinc/18/81/84/1256188184.db2.gz DEWAPOGBGABUGQ-RCCFBDPRSA-N 2 0 358.486 0.930 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670150 1256328661 /nfs/dbraw/zinc/32/86/61/1256328661.db2.gz HPYJUWYLGGOFJD-GUDVDZBRSA-N 2 0 365.518 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096049 1256533357 /nfs/dbraw/zinc/53/33/57/1256533357.db2.gz WCAJQNVCZXNGIV-USXIJHARSA-N 2 0 366.506 0.060 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC001330543457 1266055334 /nfs/dbraw/zinc/05/53/34/1266055334.db2.gz JDVGECRBSBPSEJ-QGZVFWFLSA-N 2 0 366.506 0.347 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082327080 1256668602 /nfs/dbraw/zinc/66/86/02/1256668602.db2.gz BPKKXRMKDKLKNY-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)cn1 ZINC001082328792 1256671056 /nfs/dbraw/zinc/67/10/56/1256671056.db2.gz LQEDYAJOZQTRAQ-IAGOWNOFSA-N 2 0 361.490 0.357 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082515250 1256799127 /nfs/dbraw/zinc/79/91/27/1256799127.db2.gz GCFRPVNIGLQSID-BPQIPLTHSA-N 2 0 362.518 0.777 20 0 FCADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)nn1 ZINC001082515388 1256801328 /nfs/dbraw/zinc/80/13/28/1256801328.db2.gz MHKQMCMTKFUUJT-KBRIMQKVSA-N 2 0 359.474 0.764 20 0 FCADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)cn1 ZINC001082517809 1256801713 /nfs/dbraw/zinc/80/17/13/1256801713.db2.gz GZJIMHYFOWLKMZ-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCNC3=O)C2)ccc2c[nH+]cn21 ZINC001082609806 1256920391 /nfs/dbraw/zinc/92/03/91/1256920391.db2.gz HCAZMNYTHFKLAA-CSMYWGQOSA-N 2 0 355.442 0.971 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001082637149 1256944172 /nfs/dbraw/zinc/94/41/72/1256944172.db2.gz OGBNNZFGUQPSCW-XNRPHZJLSA-N 2 0 356.430 0.581 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082797753 1257058150 /nfs/dbraw/zinc/05/81/50/1257058150.db2.gz NKOOXCGNFTZEDL-GDBMZVCRSA-N 2 0 359.478 0.429 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082863128 1257113853 /nfs/dbraw/zinc/11/38/53/1257113853.db2.gz MVNRTHQPZCRBAY-UKRRQHHQSA-N 2 0 370.457 0.055 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082943689 1257160775 /nfs/dbraw/zinc/16/07/75/1257160775.db2.gz XHJLZSMAIHYDFW-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083144382 1257398704 /nfs/dbraw/zinc/39/87/04/1257398704.db2.gz DNEDOTSMGOYENQ-JCGIZDLHSA-N 2 0 356.426 0.896 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001083149082 1257404261 /nfs/dbraw/zinc/40/42/61/1257404261.db2.gz XNLMGNFUJVYSGS-KZIZELGASA-N 2 0 361.486 0.561 20 0 FCADRP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001083749085 1257488259 /nfs/dbraw/zinc/48/82/59/1257488259.db2.gz GIDHQLNMUGYZDC-MOPGFXCFSA-N 2 0 360.502 0.756 20 0 FCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)cc2)C[C@@H](C)O1 ZINC001521433295 1266120698 /nfs/dbraw/zinc/12/06/98/1266120698.db2.gz FHZOZDJXVADWKG-MDZRGWNJSA-N 2 0 360.502 0.816 20 0 FCADRP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968628 1266124001 /nfs/dbraw/zinc/12/40/01/1266124001.db2.gz FGERTMLGZONDLT-HKUYNNGSSA-N 2 0 366.550 0.925 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)cn1 ZINC001083851126 1257607845 /nfs/dbraw/zinc/60/78/45/1257607845.db2.gz NYUQEECMONKOOT-SJORKVTESA-N 2 0 363.506 0.656 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959245 1257749070 /nfs/dbraw/zinc/74/90/70/1257749070.db2.gz NHLLFRDIDHPVCU-MSOLQXFVSA-N 2 0 365.518 0.983 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)c1 ZINC001331115428 1266150596 /nfs/dbraw/zinc/15/05/96/1266150596.db2.gz XDPOKDXBOPALFV-KYJSFNMBSA-N 2 0 374.485 0.896 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCOC4)C[C@H]32)cn1 ZINC001084714376 1258260187 /nfs/dbraw/zinc/26/01/87/1258260187.db2.gz DMZXUVYXMPPAHM-JFIYKMOQSA-N 2 0 361.490 0.628 20 0 FCADRP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)cc1=O ZINC001085092688 1258585281 /nfs/dbraw/zinc/58/52/81/1258585281.db2.gz MDQGWNUSJIXNCN-SQNIBIBYSA-N 2 0 358.486 0.760 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093031 1258587103 /nfs/dbraw/zinc/58/71/03/1258587103.db2.gz BIOBOWKPWDSXLD-OAGGEKHMSA-N 2 0 362.474 0.010 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001085093585 1258587415 /nfs/dbraw/zinc/58/74/15/1258587415.db2.gz LNHPPUYVQOTVQP-CVEARBPZSA-N 2 0 362.474 0.154 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnn(C)n1 ZINC001087166041 1258634649 /nfs/dbraw/zinc/63/46/49/1258634649.db2.gz WLQBBIRNBNHWDW-OWCLPIDISA-N 2 0 363.510 0.800 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199507 1258720374 /nfs/dbraw/zinc/72/03/74/1258720374.db2.gz QUGZNIFXCNHXPB-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199807 1258721205 /nfs/dbraw/zinc/72/12/05/1258721205.db2.gz CXTRDIJELMCBPC-OAGGEKHMSA-N 2 0 359.474 0.717 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212609 1258734921 /nfs/dbraw/zinc/73/49/21/1258734921.db2.gz CKEYNQYZUBTZPI-SOLBZPMBSA-N 2 0 362.518 0.920 20 0 FCADRP [NH3+]C[C@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427622 1266214696 /nfs/dbraw/zinc/21/46/96/1266214696.db2.gz VFRDFHOMJLUZTB-OALUTQOASA-N 2 0 360.502 0.642 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828886 1258858073 /nfs/dbraw/zinc/85/80/73/1258858073.db2.gz UKLSUVXAMUTHJE-FRFSOERESA-N 2 0 355.442 0.911 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001331449270 1266217362 /nfs/dbraw/zinc/21/73/62/1266217362.db2.gz HEWNZGHIVBXXQW-IPMKNSEASA-N 2 0 370.497 0.835 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621355 1258929246 /nfs/dbraw/zinc/92/92/46/1258929246.db2.gz HCTOSCRHGWNVIR-CRAIPNDOSA-N 2 0 368.522 0.165 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673152 1258938188 /nfs/dbraw/zinc/93/81/88/1258938188.db2.gz FMBAQBLNVZXVNS-KFWWJZLASA-N 2 0 369.510 0.247 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106840092 1258974148 /nfs/dbraw/zinc/97/41/48/1258974148.db2.gz XMVRNWJFWDHPIG-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862754 1258981153 /nfs/dbraw/zinc/98/11/53/1258981153.db2.gz QNJSYDDUUXAIOU-QINHECLXSA-N 2 0 360.502 0.894 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862753 1258981368 /nfs/dbraw/zinc/98/13/68/1258981368.db2.gz QNJSYDDUUXAIOU-JXXFODFXSA-N 2 0 360.502 0.894 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106874399 1258985196 /nfs/dbraw/zinc/98/51/96/1258985196.db2.gz GNRXFRLEINAADC-RBSFLKMASA-N 2 0 363.462 0.639 20 0 FCADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882413 1258987380 /nfs/dbraw/zinc/98/73/80/1258987380.db2.gz UWHWQEPPSIWDBG-BRWVUGGUSA-N 2 0 370.538 0.504 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106882441 1258987869 /nfs/dbraw/zinc/98/78/69/1258987869.db2.gz VUEMIWVZUZGSMN-HZPDHXFCSA-N 2 0 362.518 0.825 20 0 FCADRP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C1CC1 ZINC001106885245 1258988383 /nfs/dbraw/zinc/98/83/83/1258988383.db2.gz YWFJSULJOYPVFH-HZPDHXFCSA-N 2 0 362.518 0.777 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106985994 1259011535 /nfs/dbraw/zinc/01/15/35/1259011535.db2.gz CBZFZQDCOHLDIY-BRWVUGGUSA-N 2 0 368.522 0.117 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039462 1259022711 /nfs/dbraw/zinc/02/27/11/1259022711.db2.gz SMKQXVIVXJCPMA-HUUCEWRRSA-N 2 0 369.510 0.247 20 0 FCADRP CN(CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)c1cc[nH+]cc1 ZINC001107457780 1259094411 /nfs/dbraw/zinc/09/44/11/1259094411.db2.gz OYLVDEZYTGDDCU-VQIMIIECSA-N 2 0 359.474 0.754 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107454914 1259095028 /nfs/dbraw/zinc/09/50/28/1259095028.db2.gz PWISKEJXGKWDII-FZKQIMNGSA-N 2 0 367.494 0.272 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107609102 1259132100 /nfs/dbraw/zinc/13/21/00/1259132100.db2.gz CQNMIVJGEPGWDT-WRWLIDTKSA-N 2 0 362.518 0.968 20 0 FCADRP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cn1 ZINC001127571618 1259181707 /nfs/dbraw/zinc/18/17/07/1259181707.db2.gz UXFVWNAIGCETSV-MSOLQXFVSA-N 2 0 361.490 0.738 20 0 FCADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1cnccn1 ZINC001127571161 1259181845 /nfs/dbraw/zinc/18/18/45/1259181845.db2.gz MOPVKUFPUHIGOS-LESCRADOSA-N 2 0 361.490 0.990 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001331604044 1266246973 /nfs/dbraw/zinc/24/69/73/1266246973.db2.gz MKSCYNGYYDQSTL-KZNAEPCWSA-N 2 0 374.485 0.247 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989805 1259284707 /nfs/dbraw/zinc/28/47/07/1259284707.db2.gz VMVQAKDNKJZZLW-IKGGRYGDSA-N 2 0 364.494 0.529 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049018 1259299507 /nfs/dbraw/zinc/29/95/07/1259299507.db2.gz OKLSAVQGIQACEP-OAGGEKHMSA-N 2 0 364.494 0.265 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CCCC1 ZINC001129127427 1259322187 /nfs/dbraw/zinc/32/21/87/1259322187.db2.gz BPSBFLDWSYHDBQ-CVEARBPZSA-N 2 0 364.494 0.267 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220316 1259347286 /nfs/dbraw/zinc/34/72/86/1259347286.db2.gz VEHSDXFMIBUFGK-XHSDSOJGSA-N 2 0 364.494 0.122 20 0 FCADRP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129228309 1259349895 /nfs/dbraw/zinc/34/98/95/1259349895.db2.gz NATDXCUDBOVWCY-IKGGRYGDSA-N 2 0 364.494 0.386 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1F ZINC001160648856 1259385990 /nfs/dbraw/zinc/38/59/90/1259385990.db2.gz FORZDYMNRJXDBR-YVSFHVDLSA-N 2 0 362.449 0.364 20 0 FCADRP C[NH+](C)C1(C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001160644983 1259386205 /nfs/dbraw/zinc/38/62/05/1259386205.db2.gz LUOVPLXUWSJSLX-IRXDYDNUSA-N 2 0 358.486 0.628 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@H]1O ZINC001160655467 1259386465 /nfs/dbraw/zinc/38/64/65/1259386465.db2.gz MYENDQGGFYLDBY-ANTGDGSKSA-N 3 0 372.513 0.409 20 0 FCADRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001168708561 1259389712 /nfs/dbraw/zinc/38/97/12/1259389712.db2.gz ZQNQFNVNIJSQKF-UHFFFAOYSA-N 2 0 350.430 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001200547577 1259416565 /nfs/dbraw/zinc/41/65/65/1259416565.db2.gz OVYKMBGDIPHLCJ-BPQIPLTHSA-N 2 0 363.506 0.510 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001211669305 1259426580 /nfs/dbraw/zinc/42/65/80/1259426580.db2.gz TUKLJLNDUNHHFR-ZWKOTPCHSA-N 2 0 356.474 0.814 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212353179 1259470674 /nfs/dbraw/zinc/47/06/74/1259470674.db2.gz LDFDBVQAISEKBS-GVDBMIGSSA-N 2 0 369.485 0.458 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407756 1259494214 /nfs/dbraw/zinc/49/42/14/1259494214.db2.gz DYLCTROAHCOHDN-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519172 /nfs/dbraw/zinc/51/91/72/1259519172.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 2 0 368.522 0.448 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216222186 1259537584 /nfs/dbraw/zinc/53/75/84/1259537584.db2.gz VDLPEGBQTHYGSJ-RBSFLKMASA-N 2 0 362.478 0.582 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCNC[C@]34CC[NH2+]C4)cnc12 ZINC001234985702 1259565656 /nfs/dbraw/zinc/56/56/56/1259565656.db2.gz DULWXOXFDTXGOD-LJQANCHMSA-N 3 0 355.490 0.334 20 0 FCADRP O=C1CCC[C@]2(C[NH2+]CCN(Cc3cccc(N4CC[NH2+]CC4)c3)C2)N1 ZINC001235185346 1259569358 /nfs/dbraw/zinc/56/93/58/1259569358.db2.gz RVSRHHSEVKAOMP-HXUWFJFHSA-N 2 0 357.502 0.540 20 0 FCADRP c1cc2n(c1CN1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CC[NH2+]C2 ZINC001235206767 1259569564 /nfs/dbraw/zinc/56/95/64/1259569564.db2.gz KJZOQWSSNYJCOO-UHFFFAOYSA-N 2 0 358.490 0.565 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCO[C@H]4CC[NH2+]C[C@@H]43)cnc12 ZINC001235212782 1259569760 /nfs/dbraw/zinc/56/97/60/1259569760.db2.gz RALFNBZOPOVTEI-ROUUACIJSA-N 2 0 356.474 0.759 20 0 FCADRP CC1(C)NC[C@@H](C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470470 1259572781 /nfs/dbraw/zinc/57/27/81/1259572781.db2.gz AGOLCEKIKYNMAF-JKSUJKDBSA-N 2 0 367.490 0.298 20 0 FCADRP C[C@H]([NH3+])CN1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001235490341 1259573699 /nfs/dbraw/zinc/57/36/99/1259573699.db2.gz MAKPXCAAJKZTDI-OXJNMPFZSA-N 2 0 357.502 0.833 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(C[C@H]([NH3+])Cc3ccccc3)CC[C@@H]2C1 ZINC001235547913 1259579374 /nfs/dbraw/zinc/57/93/74/1259579374.db2.gz UDRJOBABUZHHED-VAMGGRTRSA-N 2 0 374.529 0.667 20 0 FCADRP COc1ccc(-c2cc(CN3CC[NH2+]CCNCC[NH2+]CC3)no2)cc1 ZINC001235870918 1259582280 /nfs/dbraw/zinc/58/22/80/1259582280.db2.gz PZAFTQICLIIAHU-UHFFFAOYSA-N 2 0 359.474 0.935 20 0 FCADRP COC(=O)c1ccc2[nH]cc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2c1 ZINC001235870718 1259582335 /nfs/dbraw/zinc/58/23/35/1259582335.db2.gz OUGYCKCAUCOBMO-UHFFFAOYSA-N 2 0 359.474 0.539 20 0 FCADRP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1 ZINC001236036137 1259587901 /nfs/dbraw/zinc/58/79/01/1259587901.db2.gz SOLWCYPAGFFYLQ-GJRWTSMGSA-N 2 0 359.426 0.699 20 0 FCADRP COCCCOc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310898 1259588340 /nfs/dbraw/zinc/58/83/40/1259588340.db2.gz AWYCKCWLIAHYSO-UHFFFAOYSA-N 2 0 366.506 0.718 20 0 FCADRP COc1ccc2c(c1)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn2C ZINC001236310348 1259588459 /nfs/dbraw/zinc/58/84/59/1259588459.db2.gz YCQYSLBATWQEMT-UHFFFAOYSA-N 2 0 361.490 0.803 20 0 FCADRP C[C@@H](Cc1ccc2c(c1)OCO2)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307570 1259589151 /nfs/dbraw/zinc/58/91/51/1259589151.db2.gz CJRZENAIZGAWNU-HNNXBMFYSA-N 2 0 364.490 0.710 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC1(c2ccccc2)CCOCC1 ZINC001236307895 1259589386 /nfs/dbraw/zinc/58/93/86/1259589386.db2.gz FLACTITYYUBLDK-UHFFFAOYSA-N 2 0 362.518 0.851 20 0 FCADRP O=C(c1cccc(-c2cnc(N3CC[NH2+]CC3)nc2)c1)N1CC[NH2+]CC1 ZINC001241900299 1259631773 /nfs/dbraw/zinc/63/17/73/1259631773.db2.gz QPTQQXZXIDFMDM-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP COc1ccccc1C1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246004972 1259643035 /nfs/dbraw/zinc/64/30/35/1259643035.db2.gz LQYWVJNCRHUZKI-INIZCTEOSA-N 2 0 363.502 0.729 20 0 FCADRP CCOC(=O)[C@]12CN(C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]1C[NH2+]CC2 ZINC001246047301 1259646238 /nfs/dbraw/zinc/64/62/38/1259646238.db2.gz RRFPJRWXAZRITI-AJYBTWMASA-N 3 0 361.486 0.392 20 0 FCADRP O[C@@H](C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036356 1259646498 /nfs/dbraw/zinc/64/64/98/1259646498.db2.gz QHIOKGFWIISLAW-VAMGGRTRSA-N 2 0 359.514 0.931 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC[NH2+]CC1 ZINC001246077124 1259647954 /nfs/dbraw/zinc/64/79/54/1259647954.db2.gz GQKNIMOBSNFOQI-ZDUSSCGKSA-N 2 0 362.478 0.334 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@H]1C(=O)OC ZINC001246140248 1259648593 /nfs/dbraw/zinc/64/85/93/1259648593.db2.gz GJVKDSGVCMGRHY-ZJIFWQFVSA-N 3 0 367.490 0.581 20 0 FCADRP COc1cccc(OC)c1C[NH+]1CCC(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001246153503 1259648846 /nfs/dbraw/zinc/64/88/46/1259648846.db2.gz SDYJFJFKQHPGTR-UYAOXDASSA-N 2 0 374.485 0.836 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CN1 ZINC001246093314 1259648978 /nfs/dbraw/zinc/64/89/78/1259648978.db2.gz SJWQSPVDQCBNPD-MOPGFXCFSA-N 2 0 360.502 0.687 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246215876 1259649865 /nfs/dbraw/zinc/64/98/65/1259649865.db2.gz KQAQQHCHDYUAIA-GOSISDBHSA-N 3 0 373.538 0.523 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1 ZINC001246356436 1259652504 /nfs/dbraw/zinc/65/25/04/1259652504.db2.gz HJSOLQINRVNBQU-WBVHZDCISA-N 2 0 366.506 0.347 20 0 FCADRP CCOC(=O)C1CCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246680746 1259659141 /nfs/dbraw/zinc/65/91/41/1259659141.db2.gz XRGMLQJYUCOHHW-GOSISDBHSA-N 2 0 364.534 0.820 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CN[C@@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682893 1259659854 /nfs/dbraw/zinc/65/98/54/1259659854.db2.gz OMXKWMKCGSYKDT-STEAMIEHSA-N 2 0 367.490 0.535 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@]12CCN(c1cccnc1)C2=O ZINC001246705825 1259664301 /nfs/dbraw/zinc/66/43/01/1259664301.db2.gz YTJZPRRIPONFEG-JXXFODFXSA-N 2 0 355.486 0.850 20 0 FCADRP c1cncc(N2CCC[C@@]3(C2)C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709149 1259665574 /nfs/dbraw/zinc/66/55/74/1259665574.db2.gz SDVYSRVBGUIOGA-YLJYHZDGSA-N 2 0 357.502 0.847 20 0 FCADRP O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709475 1259666589 /nfs/dbraw/zinc/66/65/89/1259666589.db2.gz OQJXROFBDHWOEU-MBOZVWFJSA-N 2 0 371.485 0.595 20 0 FCADRP O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246708085 1259667075 /nfs/dbraw/zinc/66/70/75/1259667075.db2.gz PHGZMNARHUCAFI-DZJNRPSUSA-N 2 0 362.518 0.619 20 0 FCADRP CO[C@@H]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001246721555 1259668396 /nfs/dbraw/zinc/66/83/96/1259668396.db2.gz QPAOZXYXQPLACJ-IYWMVGAKSA-N 2 0 371.529 0.697 20 0 FCADRP Cc1ccc(N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nn1 ZINC001246723600 1259668515 /nfs/dbraw/zinc/66/85/15/1259668515.db2.gz KQNFHYDPSLRIDN-FGTMMUONSA-N 2 0 372.517 0.406 20 0 FCADRP c1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1cccnc1)C2 ZINC001246718643 1259668610 /nfs/dbraw/zinc/66/86/10/1259668610.db2.gz JMYZSSQYMHOHGD-IAGOWNOFSA-N 2 0 368.485 0.883 20 0 FCADRP Cc1cccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@@H]3C2=O)c1 ZINC001246750569 1259680431 /nfs/dbraw/zinc/68/04/31/1259680431.db2.gz ZCYAZHHRDAKLNO-FHWLQOOXSA-N 2 0 354.498 0.979 20 0 FCADRP O=C1NC2(C[C@H]1c1cccnc1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246755298 1259681581 /nfs/dbraw/zinc/68/15/81/1259681581.db2.gz IMIIYPBGCMFQIG-IRXDYDNUSA-N 2 0 355.486 0.614 20 0 FCADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246756950 1259682817 /nfs/dbraw/zinc/68/28/17/1259682817.db2.gz UDXOSUIARRYGFA-KAKFPZCNSA-N 2 0 358.534 0.845 20 0 FCADRP c1cncc(COC[C@]23COC[C@H]2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246763918 1259684011 /nfs/dbraw/zinc/68/40/11/1259684011.db2.gz CSRPWHVQIGGRFN-CEXWTWQISA-N 2 0 358.486 0.641 20 0 FCADRP C[C@H]1C[C@H]([NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246773895 1259688821 /nfs/dbraw/zinc/68/88/21/1259688821.db2.gz WGHZUPUJAJCDBK-JKSUJKDBSA-N 2 0 359.474 0.924 20 0 FCADRP COc1ccc([C@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)CCO2)cc1 ZINC001246819551 1259690852 /nfs/dbraw/zinc/69/08/52/1259690852.db2.gz GUCFTJGCYBDZPJ-UYAOXDASSA-N 2 0 362.518 1.000 20 0 FCADRP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815475 1259690905 /nfs/dbraw/zinc/69/09/05/1259690905.db2.gz ZDCGQFVFNSUQLJ-VAMGGRTRSA-N 3 0 371.529 0.698 20 0 FCADRP O=C1[C@@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001246846560 1259691824 /nfs/dbraw/zinc/69/18/24/1259691824.db2.gz BKTWTCBDZDHIOW-KSZLIROESA-N 2 0 368.481 0.730 20 0 FCADRP NC(=O)c1cc2cc(N3CC[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC3)ccc2o1 ZINC001246886650 1259693180 /nfs/dbraw/zinc/69/31/80/1259693180.db2.gz HSLYIZZYNFNFSB-MRXNPFEDSA-N 2 0 369.469 0.748 20 0 FCADRP COCCCN1CCC([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246857440 1259693524 /nfs/dbraw/zinc/69/35/24/1259693524.db2.gz HJICBEQPZWZWPG-QEEHTWDDSA-N 2 0 365.518 0.818 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[C@]4(C(=O)OC)CC[NH2+][C@H]4C3)C[C@H](C1)[NH2+]2 ZINC001246988706 1259697968 /nfs/dbraw/zinc/69/79/68/1259697968.db2.gz PXKLHJFAPOMOQD-KVBLNAQBSA-N 2 0 365.474 0.286 20 0 FCADRP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](CC4(O)CCOCC4)C3)O2)CC1 ZINC001252961481 1259815822 /nfs/dbraw/zinc/81/58/22/1259815822.db2.gz QMESMMIZIQNHKK-UYAOXDASSA-N 2 0 367.534 0.789 20 0 FCADRP Cn1cc(N2CC[C@@]3(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)cn1 ZINC001253391369 1259837957 /nfs/dbraw/zinc/83/79/57/1259837957.db2.gz KGJNRQLGSOGHDC-VQIMIIECSA-N 2 0 363.506 0.988 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001335841664 1259865196 /nfs/dbraw/zinc/86/51/96/1259865196.db2.gz FAFXDVHQFIIWGE-KDOFPFPSSA-N 2 0 372.469 0.798 20 0 FCADRP CC(C[NH+]1CCC2(COC(=O)N2)CC1)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001254566195 1259889673 /nfs/dbraw/zinc/88/96/73/1259889673.db2.gz VLNMACXMJRLEFC-UHFFFAOYSA-N 2 0 366.462 0.771 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)C2CCOCC2)C1 ZINC001255033355 1259903917 /nfs/dbraw/zinc/90/39/17/1259903917.db2.gz ARSXQKJQUAEQRR-HILJTLORSA-N 2 0 373.538 0.934 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)n2)CC1 ZINC001256131065 1259935277 /nfs/dbraw/zinc/93/52/77/1259935277.db2.gz JWZRVTOOULTBRN-UHFFFAOYSA-N 2 0 360.462 0.466 20 0 FCADRP NC(=O)c1cccnc1N1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256695630 1259956843 /nfs/dbraw/zinc/95/68/43/1259956843.db2.gz HJLCVCGXYYHYEQ-UHFFFAOYSA-N 2 0 373.501 0.946 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001336135526 1260003468 /nfs/dbraw/zinc/00/34/68/1260003468.db2.gz ZWDYAZFFUIFXEI-HIFRSBDPSA-N 2 0 363.428 0.750 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001261824544 1260195678 /nfs/dbraw/zinc/19/56/78/1260195678.db2.gz BMFVVGNRVHDXOC-MRXNPFEDSA-N 2 0 359.474 0.025 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1(C2CC[NH2+]CC2)CC1 ZINC001336901988 1260249798 /nfs/dbraw/zinc/24/97/98/1260249798.db2.gz ZDNZTMOCVAKVKR-CYBMUJFWSA-N 2 0 363.428 0.654 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1(C2CC[NH2+]CC2)CC1 ZINC001336901989 1260250207 /nfs/dbraw/zinc/25/02/07/1260250207.db2.gz ZDNZTMOCVAKVKR-ZDUSSCGKSA-N 2 0 363.428 0.654 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)c1 ZINC001262059581 1260252461 /nfs/dbraw/zinc/25/24/61/1260252461.db2.gz CQPHYNOHLIGYQT-BQFCYCMXSA-N 2 0 372.469 0.521 20 0 FCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001262067199 1260254827 /nfs/dbraw/zinc/25/48/27/1260254827.db2.gz VGQFQKFHRSUTGL-VDHUWJSZSA-N 2 0 358.486 0.867 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001336944245 1260263644 /nfs/dbraw/zinc/26/36/44/1260263644.db2.gz VGBCWUBACIYAAK-MOPGFXCFSA-N 2 0 357.502 0.937 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001336959087 1260267561 /nfs/dbraw/zinc/26/75/61/1260267561.db2.gz FEJADWZRJWWXAO-LSDHHAIUSA-N 2 0 354.495 0.290 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063180 1260298768 /nfs/dbraw/zinc/29/87/68/1260298768.db2.gz YYQYHZLXDMWBLW-JKSUJKDBSA-N 2 0 351.495 0.324 20 0 FCADRP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC001262567325 1260328160 /nfs/dbraw/zinc/32/81/60/1260328160.db2.gz PJICEXJLSIJUKF-MRXNPFEDSA-N 2 0 366.458 0.649 20 0 FCADRP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001262564145 1260328287 /nfs/dbraw/zinc/32/82/87/1260328287.db2.gz ZZBBOVOCWCPCRL-HOTGVXAUSA-N 2 0 367.490 0.669 20 0 FCADRP CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@@H]1OC ZINC001262579899 1260329174 /nfs/dbraw/zinc/32/91/74/1260329174.db2.gz CNXBUBODRIOZKK-ILOCAZANSA-N 2 0 366.506 0.789 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001263103359 1260341782 /nfs/dbraw/zinc/34/17/82/1260341782.db2.gz XDNDVVVDMISSEQ-LJQANCHMSA-N 2 0 368.522 0.234 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756092 1260355770 /nfs/dbraw/zinc/35/57/70/1260355770.db2.gz FDFRRJNQXBCTKO-OXQOHEQNSA-N 2 0 372.513 0.648 20 0 FCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001337312464 1260365333 /nfs/dbraw/zinc/36/53/33/1260365333.db2.gz YIRDWNIXSULXEY-HOTGVXAUSA-N 2 0 366.506 0.333 20 0 FCADRP O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)[nH]n1 ZINC001337409243 1260394117 /nfs/dbraw/zinc/39/41/17/1260394117.db2.gz KHGLSHPJRIMXOQ-IRXDYDNUSA-N 2 0 372.473 0.058 20 0 FCADRP COC(=O)c1c(N2C[C@@H](C)[NH2+][C@@H](C)C2)ncnc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001337924878 1260518595 /nfs/dbraw/zinc/51/85/95/1260518595.db2.gz DYQZWDJAHZBWLO-KPWCQOOUSA-N 2 0 362.478 0.636 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001338011682 1260535888 /nfs/dbraw/zinc/53/58/88/1260535888.db2.gz OLLDZJSVNJGOCH-ZIFCJYIRSA-N 2 0 365.522 0.367 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C34CC[NH+](CC3)CC4)C[C@@]2(F)C1=O ZINC001273043232 1260574319 /nfs/dbraw/zinc/57/43/19/1260574319.db2.gz AMHCNDBNCIPABO-QZTJIDSGSA-N 2 0 370.444 0.135 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1=O ZINC001273193366 1260620588 /nfs/dbraw/zinc/62/05/88/1260620588.db2.gz ZIJZNSBEQHNSTD-ZRGWGRIASA-N 2 0 364.490 0.256 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001273272234 1260643469 /nfs/dbraw/zinc/64/34/69/1260643469.db2.gz FSMMCSGFVXBRNI-DOTOQJQBSA-N 2 0 362.518 0.729 20 0 FCADRP CC(=O)N1CCC[C@@H](C[NH+]2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181391 1260685847 /nfs/dbraw/zinc/68/58/47/1260685847.db2.gz DXOZTGVHFLUNGV-GBESFXJTSA-N 2 0 364.534 0.977 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CCOCC4)CC3)[C@@H]2C1 ZINC001278464180 1260694416 /nfs/dbraw/zinc/69/44/16/1260694416.db2.gz IOEICLLBYLMOSP-QZTJIDSGSA-N 2 0 364.534 0.487 20 0 FCADRP COCCn1cc(C[N@@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)cn1 ZINC001278712853 1260720414 /nfs/dbraw/zinc/72/04/14/1260720414.db2.gz OJCQXGJDQRBGNH-IBGZPJMESA-N 2 0 365.522 0.758 20 0 FCADRP CCN(C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC001332217726 1266359670 /nfs/dbraw/zinc/35/96/70/1266359670.db2.gz SXMJHWQTXZWHKM-NVXWUHKLSA-N 2 0 362.474 0.625 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC001279466568 1260874677 /nfs/dbraw/zinc/87/46/77/1260874677.db2.gz ADGDELIDCMAKMD-ULQDDVLXSA-N 2 0 367.490 0.298 20 0 FCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251945 1266367106 /nfs/dbraw/zinc/36/71/06/1266367106.db2.gz GGSGTTFQIBLWPM-YJBOKZPZSA-N 2 0 358.486 0.665 20 0 FCADRP C[NH+](C)CCN1CCN(C[C@H]2CCC[N@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501457 1260881611 /nfs/dbraw/zinc/88/16/11/1260881611.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 2 0 365.566 0.546 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]CCN2CCOCC2)CC1 ZINC001279772599 1260933834 /nfs/dbraw/zinc/93/38/34/1260933834.db2.gz RGYJJGWPXNTUCX-KCITZHQASA-N 2 0 364.534 0.533 20 0 FCADRP CCOC(=O)CC[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280091658 1260999238 /nfs/dbraw/zinc/99/92/38/1260999238.db2.gz XTIAXVKCCRSAMJ-OIISXLGYSA-N 2 0 367.490 0.629 20 0 FCADRP CN(Cc1ncccn1)C(=O)[C@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001280135000 1261013568 /nfs/dbraw/zinc/01/35/68/1261013568.db2.gz IOKGYGAZPPRDLP-MRXNPFEDSA-N 2 0 359.474 0.668 20 0 FCADRP C[C@H]1c2ncc(CC(=O)NC3CC[NH+](C)CC3)n2CCN1CC[NH+](C)C ZINC001280220430 1261038572 /nfs/dbraw/zinc/03/85/72/1261038572.db2.gz BZPMFFUUMZPYTR-HNNXBMFYSA-N 2 0 362.522 0.574 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CC[NH+]3CCCC3)C[C@H]21 ZINC001280224823 1261039432 /nfs/dbraw/zinc/03/94/32/1261039432.db2.gz WGUVXURJYAAPFE-QRVBRYPASA-N 2 0 362.518 0.478 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCN(CC[NH+](C)C)Cc2ccnn21 ZINC001280221694 1261039782 /nfs/dbraw/zinc/03/97/82/1261039782.db2.gz QXXNWMKLIOOLIJ-SFHVURJKSA-N 2 0 364.538 0.992 20 0 FCADRP Cn1nnnc1NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255144 1261041944 /nfs/dbraw/zinc/04/19/44/1261041944.db2.gz FBGXTBCERNQJGV-MPGHIAIKSA-N 2 0 361.494 0.983 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC001281710972 1261167539 /nfs/dbraw/zinc/16/75/39/1261167539.db2.gz YPLGOEMRJYSJCX-GVDBMIGSSA-N 2 0 368.522 0.281 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001282296757 1261406438 /nfs/dbraw/zinc/40/64/38/1261406438.db2.gz NSTWSUPMOGWCHG-SJORKVTESA-N 2 0 361.490 0.840 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)Cc2cncn2C)C(C)(C)C)CC[N@@H+]1C ZINC001288221093 1262012683 /nfs/dbraw/zinc/01/26/83/1262012683.db2.gz GPDBVJLPZRLRAU-FVQBIDKESA-N 2 0 363.506 0.950 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580320920 1278121613 /nfs/dbraw/zinc/12/16/13/1278121613.db2.gz NYLJHFYOOWESSL-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+](CCC)C2)C[C@@H]1O ZINC001289696804 1262312411 /nfs/dbraw/zinc/31/24/11/1262312411.db2.gz UQSZRMZTBBDOLU-BBWFWOEESA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001580376792 1278188849 /nfs/dbraw/zinc/18/88/49/1278188849.db2.gz JTGUOKLGOHMKKY-YPMHNXCESA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001479506750 1263233491 /nfs/dbraw/zinc/23/34/91/1263233491.db2.gz NMXQEOYFLGLRNP-HYVNUMGLSA-N 2 0 365.522 0.663 20 0 FCADRP [NH3+][C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001580380083 1278195115 /nfs/dbraw/zinc/19/51/15/1278195115.db2.gz IJMNQVXSDNWYLD-QGZVFWFLSA-N 2 0 371.489 0.990 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001316706035 1263430932 /nfs/dbraw/zinc/43/09/32/1263430932.db2.gz LDUBQWVJMDHTRL-SJORKVTESA-N 2 0 368.522 0.404 20 0 FCADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001483770169 1263444825 /nfs/dbraw/zinc/44/48/25/1263444825.db2.gz KPLZOOHVOYWBNT-MSOLQXFVSA-N 2 0 368.485 0.899 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001580383952 1278199991 /nfs/dbraw/zinc/19/99/91/1278199991.db2.gz GYTHFUWMPJICFU-SJORKVTESA-N 2 0 354.495 0.637 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)CC1 ZINC001316756667 1263461695 /nfs/dbraw/zinc/46/16/95/1263461695.db2.gz YITLSJSCYHVKDU-SJORKVTESA-N 2 0 362.518 0.635 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385601 1278205416 /nfs/dbraw/zinc/20/54/16/1278205416.db2.gz PWHDOQOFUQYUTQ-VNQPRFMTSA-N 2 0 369.473 0.897 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318662285 1263597431 /nfs/dbraw/zinc/59/74/31/1263597431.db2.gz RYAHRUNMUISPBR-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)CC1 ZINC001321082127 1263903302 /nfs/dbraw/zinc/90/33/02/1263903302.db2.gz YAXSXHFBLLMWCZ-HOCLYGCPSA-N 2 0 374.489 0.831 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001321526628 1263983879 /nfs/dbraw/zinc/98/38/79/1263983879.db2.gz ZZRWQEXGXVQVEJ-DLBZAZTESA-N 2 0 367.538 0.119 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)N1CCOCC1 ZINC001321643035 1264020249 /nfs/dbraw/zinc/02/02/49/1264020249.db2.gz ONDPSQWDIKEXBR-ZACQAIPSSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001323511122 1264445394 /nfs/dbraw/zinc/44/53/94/1264445394.db2.gz JSXYMOARPUEFLB-IAGOWNOFSA-N 2 0 370.538 0.506 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001325307009 1264843621 /nfs/dbraw/zinc/84/36/21/1264843621.db2.gz JANALRYNZVBLMT-QZTJIDSGSA-N 2 0 360.502 0.686 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC001325412471 1264879433 /nfs/dbraw/zinc/87/94/33/1264879433.db2.gz BEESBPICVXZXDD-NVXWUHKLSA-N 2 0 373.501 0.250 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001580402930 1278235263 /nfs/dbraw/zinc/23/52/63/1278235263.db2.gz WGIZEWZJHWUDES-CZUORRHYSA-N 2 0 357.462 0.945 20 0 FCADRP COc1cccc(C[C@@H](O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001326123630 1265061878 /nfs/dbraw/zinc/06/18/78/1265061878.db2.gz HJNSIXFRMCFKNC-QFBILLFUSA-N 2 0 361.486 0.883 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580407184 1278244655 /nfs/dbraw/zinc/24/46/55/1278244655.db2.gz IDUYNQXDJREKLE-CYBMUJFWSA-N 2 0 355.446 0.557 20 0 FCADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001513400820 1265100957 /nfs/dbraw/zinc/10/09/57/1265100957.db2.gz QBKCMZYPUSWBKX-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001327613741 1265374623 /nfs/dbraw/zinc/37/46/23/1265374623.db2.gz OZBDWQMZWNOERU-IAGOWNOFSA-N 2 0 366.506 0.191 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001332572771 1266432671 /nfs/dbraw/zinc/43/26/71/1266432671.db2.gz JHDQOVRXEPXASQ-KSZLIROESA-N 2 0 365.522 0.176 20 0 FCADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001522262940 1266449420 /nfs/dbraw/zinc/44/94/20/1266449420.db2.gz CZEZEIWFAHHSQM-GOSISDBHSA-N 2 0 352.479 0.702 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001522843718 1266586508 /nfs/dbraw/zinc/58/65/08/1266586508.db2.gz VECSXDVMQJYQNK-UHFFFAOYSA-N 2 0 371.485 0.584 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001333407132 1266594265 /nfs/dbraw/zinc/59/42/65/1266594265.db2.gz YPMKUCIFOQCGTK-MRXNPFEDSA-N 2 0 366.506 0.109 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001333448625 1266605125 /nfs/dbraw/zinc/60/51/25/1266605125.db2.gz PRLZFOABUAVOJF-WKILWMFISA-N 2 0 373.501 0.400 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)ccn2)CC1 ZINC001333573832 1266635437 /nfs/dbraw/zinc/63/54/37/1266635437.db2.gz DLQPOOYOQGLHAZ-DLBZAZTESA-N 2 0 358.490 0.869 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)ccn2)CC1 ZINC001333573843 1266636180 /nfs/dbraw/zinc/63/61/80/1266636180.db2.gz DLQPOOYOQGLHAZ-SJORKVTESA-N 2 0 358.490 0.869 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001524176368 1266690299 /nfs/dbraw/zinc/69/02/99/1266690299.db2.gz MITKNJLEXFKKEG-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP OC[C@H]1CC(c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC2CC2)=[NH+]O1 ZINC001527738425 1266922241 /nfs/dbraw/zinc/92/22/41/1266922241.db2.gz ZEGYGEYGRHNJPW-OAHLLOKOSA-N 2 0 360.462 0.848 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001529321373 1267052917 /nfs/dbraw/zinc/05/29/17/1267052917.db2.gz CNEKZAJOBGUTHZ-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C[C@@]1(O)CCOC1 ZINC001334658745 1267126449 /nfs/dbraw/zinc/12/64/49/1267126449.db2.gz AHMJJXFIIGXUQH-MOPGFXCFSA-N 2 0 356.507 0.713 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC001542656304 1267503354 /nfs/dbraw/zinc/50/33/54/1267503354.db2.gz ZFYVNFIUVHXKAL-QGZVFWFLSA-N 2 0 359.474 0.698 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)nn1 ZINC001549045832 1267794994 /nfs/dbraw/zinc/79/49/94/1267794994.db2.gz ALNHCDYADDEVBG-PBHICJAKSA-N 2 0 372.429 0.101 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC001549296445 1267893265 /nfs/dbraw/zinc/89/32/65/1267893265.db2.gz PAHVPCWBCWJDHX-YESZJQIVSA-N 2 0 354.458 0.996 20 0 FCADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC001338465781 1267950138 /nfs/dbraw/zinc/95/01/38/1267950138.db2.gz GLXOAHIQZHRCGL-YOEHRIQHSA-N 2 0 355.504 0.349 20 0 FCADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001549723271 1267978832 /nfs/dbraw/zinc/97/88/32/1267978832.db2.gz XPEGCMLFXCJDLE-FRRDWIJNSA-N 2 0 358.364 0.836 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])c1 ZINC001549733509 1267981608 /nfs/dbraw/zinc/98/16/08/1267981608.db2.gz AUXOMNIMRJWGPM-KSZLIROESA-N 2 0 368.485 0.980 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001549736526 1267982574 /nfs/dbraw/zinc/98/25/74/1267982574.db2.gz XEZFUUQPGHJEQR-WMZOPIPTSA-N 2 0 350.507 0.870 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549776898 1267997607 /nfs/dbraw/zinc/99/76/07/1267997607.db2.gz SNSYREVUTIBUKZ-HZPDHXFCSA-N 2 0 356.467 0.481 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)C1=O ZINC001550092344 1268073642 /nfs/dbraw/zinc/07/36/42/1268073642.db2.gz BIXNWEVCMPXZIX-XJKSGUPXSA-N 2 0 374.489 0.144 20 0 FCADRP C[NH+](C)CCn1c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@@]4(C)C3)ccc2[nH]c1=O ZINC001550115742 1268076219 /nfs/dbraw/zinc/07/62/19/1268076219.db2.gz DDCWWPCVLWLKRI-KUHUBIRLSA-N 2 0 357.458 0.985 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)c3cn([C@H]4CCCC[C@H]4[NH3+])nn3)C2)CC1 ZINC001550116226 1268078066 /nfs/dbraw/zinc/07/80/66/1268078066.db2.gz KONAPERKNWWGLA-INMHGKMJSA-N 2 0 361.494 0.182 20 0 FCADRP O=C(N[C@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001550186848 1268088281 /nfs/dbraw/zinc/08/82/81/1268088281.db2.gz ISRPCFABKJHSDJ-ROUUACIJSA-N 2 0 351.454 0.977 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](O)C2 ZINC001550478237 1268124321 /nfs/dbraw/zinc/12/43/21/1268124321.db2.gz MHWSUPYCDPQBCJ-DFEOGRTESA-N 2 0 363.506 0.654 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC001550477141 1268124441 /nfs/dbraw/zinc/12/44/41/1268124441.db2.gz NRQKRFHTQYJWIL-JPLJXNOCSA-N 2 0 365.518 0.693 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C[C@@H]2[NH3+])c1 ZINC001550732941 1268157641 /nfs/dbraw/zinc/15/76/41/1268157641.db2.gz VDIFEWPNTGGGCT-IKGGRYGDSA-N 2 0 354.458 0.743 20 0 FCADRP [NH3+][C@]1(CO)CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001550745056 1268160788 /nfs/dbraw/zinc/16/07/88/1268160788.db2.gz RPOYZTQMRZCZEM-LJQANCHMSA-N 2 0 361.490 0.789 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001339069282 1268161414 /nfs/dbraw/zinc/16/14/14/1268161414.db2.gz KZUAQGMURMIYON-UHFFFAOYSA-N 2 0 350.507 0.731 20 0 FCADRP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550757907 1268164608 /nfs/dbraw/zinc/16/46/08/1268164608.db2.gz CASYNULGUBQSBD-HRCADAONSA-N 2 0 354.495 0.506 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC001550913260 1268184178 /nfs/dbraw/zinc/18/41/78/1268184178.db2.gz NISSLVIIUXABLP-LPHOPBHVSA-N 2 0 350.507 0.919 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913114 1268184229 /nfs/dbraw/zinc/18/42/29/1268184229.db2.gz JRNAKUKEVNOGBT-RYRKJORJSA-N 2 0 351.491 0.809 20 0 FCADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550912527 1268184248 /nfs/dbraw/zinc/18/42/48/1268184248.db2.gz IWIWFPXANJLWBM-SJLPKXTDSA-N 2 0 365.499 0.827 20 0 FCADRP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550912653 1268184300 /nfs/dbraw/zinc/18/43/00/1268184300.db2.gz JKLCELHCHCKZST-YLJYHZDGSA-N 2 0 358.486 0.848 20 0 FCADRP CC1CCC(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550914712 1268184334 /nfs/dbraw/zinc/18/43/34/1268184334.db2.gz ZBHAPLBAXRJUQF-MUXCANPHSA-N 2 0 350.507 0.918 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913696 1268184702 /nfs/dbraw/zinc/18/47/02/1268184702.db2.gz PAONFYGXTHJULW-XYJFISCASA-N 2 0 351.491 0.951 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC001551216134 1268213677 /nfs/dbraw/zinc/21/36/77/1268213677.db2.gz BOMFWWFRELKPOF-OTWHNJEPSA-N 2 0 359.518 0.877 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC001551499070 1268262233 /nfs/dbraw/zinc/26/22/33/1268262233.db2.gz WBUYZTSMUJVJOG-CTMQZQKCSA-N 2 0 354.495 0.778 20 0 FCADRP CO[C@H]1C[C@@H](C[NH3+])N(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551505818 1268262315 /nfs/dbraw/zinc/26/23/15/1268262315.db2.gz XFXQPATZVAENDY-LPMVOBIJSA-N 2 0 354.495 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001551555010 1268266830 /nfs/dbraw/zinc/26/68/30/1268266830.db2.gz LQZCOUMDJKNAOM-DUFGSWQCSA-N 2 0 351.495 0.260 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560967 1268270600 /nfs/dbraw/zinc/27/06/00/1268270600.db2.gz IRJSCIYHMAFVQE-WDYCEAGBSA-N 2 0 363.506 0.370 20 0 FCADRP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001551563337 1268272065 /nfs/dbraw/zinc/27/20/65/1268272065.db2.gz VZSIIGNUSBSWAB-SNPRPXQTSA-N 2 0 361.412 0.218 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@@H]1C ZINC001551563817 1268272636 /nfs/dbraw/zinc/27/26/36/1268272636.db2.gz RZEOFCVSEPVVEP-KJGCVMFHSA-N 2 0 365.522 0.757 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551568159 1268273929 /nfs/dbraw/zinc/27/39/29/1268273929.db2.gz IATPCQWZFWKPEU-SJLPKXTDSA-N 2 0 365.522 0.616 20 0 FCADRP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C2 ZINC001551575676 1268274699 /nfs/dbraw/zinc/27/46/99/1268274699.db2.gz GPPIHULHVFUGDL-RRIFGTCXSA-N 2 0 363.506 0.404 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551578211 1268276491 /nfs/dbraw/zinc/27/64/91/1268276491.db2.gz MKYMQPZVTMQOMD-KYJSFNMBSA-N 2 0 365.522 0.664 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551578694 1268276850 /nfs/dbraw/zinc/27/68/50/1268276850.db2.gz MLBSAKSQEQKZBM-NVXWUHKLSA-N 2 0 351.495 0.404 20 0 FCADRP [NH3+]CCC1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551578698 1268276955 /nfs/dbraw/zinc/27/69/55/1268276955.db2.gz MLBSAKSQEQKZBM-RDJZCZTQSA-N 2 0 351.495 0.404 20 0 FCADRP C[NH+](C)C1CC(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551582041 1268277884 /nfs/dbraw/zinc/27/78/84/1268277884.db2.gz SVWSSPKWGDQOOT-BDKZHOIZSA-N 2 0 351.495 0.273 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC001551586041 1268279264 /nfs/dbraw/zinc/27/92/64/1268279264.db2.gz BLVAQCINONFBPG-BSXOQXRQSA-N 2 0 363.506 0.558 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551586252 1268279375 /nfs/dbraw/zinc/27/93/75/1268279375.db2.gz CAYYUNKYISFNHE-JFIYKMOQSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551588773 1268279442 /nfs/dbraw/zinc/27/94/42/1268279442.db2.gz GJJMOOTUWMVDGE-BLBBIFAFSA-N 2 0 363.506 0.415 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585855 1268279842 /nfs/dbraw/zinc/27/98/42/1268279842.db2.gz BAODMCFSAVIWJG-JFIYKMOQSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551597208 1268281607 /nfs/dbraw/zinc/28/16/07/1268281607.db2.gz UUVSFUPGXWSOPC-BVIKNXMNSA-N 2 0 365.522 0.805 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)nn1 ZINC001552089172 1268369069 /nfs/dbraw/zinc/36/90/69/1268369069.db2.gz AQWMWNZDSVZCSV-BPQIPLTHSA-N 2 0 370.457 0.153 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cnn1C ZINC001552160759 1268396048 /nfs/dbraw/zinc/39/60/48/1268396048.db2.gz HGWKZSWIUGEYPP-COXVUDFISA-N 2 0 354.458 0.881 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH+](C3CCCC3)CC2)nn1 ZINC001552166547 1268398009 /nfs/dbraw/zinc/39/80/09/1268398009.db2.gz GVBSUYCKBKADMQ-NVXWUHKLSA-N 2 0 362.478 0.067 20 0 FCADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)nn1 ZINC001552167301 1268399529 /nfs/dbraw/zinc/39/95/29/1268399529.db2.gz YKVXLAAJEOFVIY-WBVHZDCISA-N 2 0 364.494 0.311 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC001552167463 1268400119 /nfs/dbraw/zinc/40/01/19/1268400119.db2.gz MUROSBFFFITUTQ-MNEFBYGVSA-N 2 0 374.533 0.316 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552216259 1268413468 /nfs/dbraw/zinc/41/34/68/1268413468.db2.gz MUFZKGYVMGRDFO-ARFHVFGLSA-N 2 0 358.421 0.827 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C[C@H]2[NH3+])cn1 ZINC001552236599 1268417741 /nfs/dbraw/zinc/41/77/41/1268417741.db2.gz WJUHJFRZVFIPFY-FHLIZLRMSA-N 2 0 354.458 0.743 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001552237872 1268418889 /nfs/dbraw/zinc/41/88/89/1268418889.db2.gz CEXPDMUVIVKDDA-ROUUACIJSA-N 2 0 358.486 0.564 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)C1 ZINC001340104980 1268436477 /nfs/dbraw/zinc/43/64/77/1268436477.db2.gz LYVFKQZODVYHCH-OAHLLOKOSA-N 2 0 352.479 0.844 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001340122016 1268443797 /nfs/dbraw/zinc/44/37/97/1268443797.db2.gz QLBDBFQDKDWRNA-ROUUACIJSA-N 2 0 358.486 0.787 20 0 FCADRP Cc1c(C(=O)N2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552429586 1268460973 /nfs/dbraw/zinc/46/09/73/1268460973.db2.gz IAOZHFDDVCUGNV-YESZJQIVSA-N 2 0 354.458 0.935 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436023 1268463290 /nfs/dbraw/zinc/46/32/90/1268463290.db2.gz SBFVWMRRAQPEFD-QGZVFWFLSA-N 2 0 369.473 0.910 20 0 FCADRP Cc1c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435977 1268463495 /nfs/dbraw/zinc/46/34/95/1268463495.db2.gz XXIWIPWAWCCRTA-HNNXBMFYSA-N 2 0 362.478 0.496 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552605509 1268489332 /nfs/dbraw/zinc/48/93/32/1268489332.db2.gz WXRUHBUWXMEVSX-ZACQAIPSSA-N 2 0 363.510 0.753 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC001340347690 1268518501 /nfs/dbraw/zinc/51/85/01/1268518501.db2.gz BBBHWUXZZWBFRF-SFHVURJKSA-N 2 0 360.506 0.486 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)C1 ZINC001552690563 1268521420 /nfs/dbraw/zinc/52/14/20/1268521420.db2.gz GVIRGWSISLLHAJ-VYDXJSESSA-N 2 0 364.494 0.807 20 0 FCADRP O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001552686371 1268521672 /nfs/dbraw/zinc/52/16/72/1268521672.db2.gz SRPTVJPSFOATFS-OAHLLOKOSA-N 2 0 374.489 0.161 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1n1ccnn1 ZINC001552801995 1268551717 /nfs/dbraw/zinc/55/17/17/1268551717.db2.gz XBRQCNMCWNPPHD-VEDBGLOESA-N 2 0 361.494 0.790 20 0 FCADRP O=C(CNC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC001552819859 1268555171 /nfs/dbraw/zinc/55/51/71/1268555171.db2.gz YRQKJOHDDWZRBW-HUUCEWRRSA-N 2 0 350.850 0.191 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC001552844169 1268558001 /nfs/dbraw/zinc/55/80/01/1268558001.db2.gz JPCOCGPRKWKZDQ-KLHDSHLOSA-N 2 0 362.861 0.413 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C[C@@H]1C[NH+](C)C ZINC001552849261 1268559040 /nfs/dbraw/zinc/55/90/40/1268559040.db2.gz HRQJPZWAGXUKPC-HOTGVXAUSA-N 3 0 363.506 0.953 20 0 FCADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC001552847458 1268559085 /nfs/dbraw/zinc/55/90/85/1268559085.db2.gz UUGIBCRUIYYTKZ-STQMWFEESA-N 2 0 363.487 0.303 20 0 FCADRP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001552914842 1268565155 /nfs/dbraw/zinc/56/51/55/1268565155.db2.gz APLSUCKJMAUHOZ-SJLPKXTDSA-N 2 0 359.474 0.378 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957494 1268568914 /nfs/dbraw/zinc/56/89/14/1268568914.db2.gz JHNNDZSIESHBLP-QZTJIDSGSA-N 2 0 357.502 0.905 20 0 FCADRP CCCNC(=O)c1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553392073 1268642122 /nfs/dbraw/zinc/64/21/22/1268642122.db2.gz JTSIEXUWUJCEJV-FXAWDEMLSA-N 2 0 358.486 0.984 20 0 FCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)CC2)nc1 ZINC001553425812 1268648191 /nfs/dbraw/zinc/64/81/91/1268648191.db2.gz UMYSGUZVWQUTJH-IXDOHACOSA-N 2 0 359.474 0.311 20 0 FCADRP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001553441942 1268650561 /nfs/dbraw/zinc/65/05/61/1268650561.db2.gz BZGQWEPWOSIVQW-JENIJYKNSA-N 2 0 366.506 0.637 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449591 1268652362 /nfs/dbraw/zinc/65/23/62/1268652362.db2.gz GQSYJAHYZJJDMA-WBVHZDCISA-N 3 0 365.522 0.304 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553455504 1268654591 /nfs/dbraw/zinc/65/45/91/1268654591.db2.gz YLSKMSZJFMTXDO-RCCFBDPRSA-N 2 0 365.522 0.176 20 0 FCADRP CCO[C@@H]1COC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553491294 1268658023 /nfs/dbraw/zinc/65/80/23/1268658023.db2.gz UTVFTOGQMSEMCS-VVLHAWIVSA-N 2 0 352.479 0.401 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553531800 1268664716 /nfs/dbraw/zinc/66/47/16/1268664716.db2.gz VUECMKDQIJWUNM-CVEARBPZSA-N 2 0 365.522 0.747 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@]23CC[C@@H]2CC[NH2+]3)CC1 ZINC001553541191 1268665620 /nfs/dbraw/zinc/66/56/20/1268665620.db2.gz KAKPDKFTKHIUQL-QAPCUYQASA-N 2 0 363.506 0.644 20 0 FCADRP Nc1ncc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC001553539906 1268665635 /nfs/dbraw/zinc/66/56/35/1268665635.db2.gz GBADIXJJRJGOPN-BETUJISGSA-N 2 0 350.492 0.836 20 0 FCADRP C[C@H](Cc1nccn1C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553551386 1268668449 /nfs/dbraw/zinc/66/84/49/1268668449.db2.gz DBIXOXVFIYPYFB-OIISXLGYSA-N 2 0 360.506 0.961 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]C[C@H]1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553553623 1268669615 /nfs/dbraw/zinc/66/96/15/1268669615.db2.gz VXUPBFXCMWTLAP-YYIAUSFCSA-N 3 0 353.486 0.687 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001340864224 1268685020 /nfs/dbraw/zinc/68/50/20/1268685020.db2.gz GSWRXNKUSNYREG-SFHVURJKSA-N 2 0 352.479 0.891 20 0 FCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001340891943 1268695104 /nfs/dbraw/zinc/69/51/04/1268695104.db2.gz CTOJHASGQSIURV-KRWDZBQOSA-N 2 0 361.490 0.679 20 0 FCADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N1CCC([NH2+]C2CCC2)CC1 ZINC001580518950 1278442190 /nfs/dbraw/zinc/44/21/90/1278442190.db2.gz QTMAHNVZZPEVGG-KCXAZCMYSA-N 2 0 355.504 0.142 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001341389856 1268968620 /nfs/dbraw/zinc/96/86/20/1268968620.db2.gz XKVJHUBRJNHIBN-ZHALLVOQSA-N 2 0 355.523 0.501 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001341436137 1268995302 /nfs/dbraw/zinc/99/53/02/1268995302.db2.gz NAPFRHDYTHWPLX-IAGOWNOFSA-N 2 0 368.522 0.282 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001341701534 1269157599 /nfs/dbraw/zinc/15/75/99/1269157599.db2.gz VNEYPIYDRJFGKJ-KRWDZBQOSA-N 2 0 368.522 0.627 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC001341716995 1269166546 /nfs/dbraw/zinc/16/65/46/1269166546.db2.gz MCTGRFKQLUBBAV-KBXCAEBGSA-N 2 0 362.474 0.832 20 0 FCADRP O=C(CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC001580551445 1278484786 /nfs/dbraw/zinc/48/47/86/1278484786.db2.gz IJBYPIPQFFXHLJ-HXUWFJFHSA-N 2 0 358.486 0.636 20 0 FCADRP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001342756201 1269592154 /nfs/dbraw/zinc/59/21/54/1269592154.db2.gz UWPWHJBVAWJDLL-ZIAGYGMSSA-N 2 0 350.467 0.951 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001566649401 1269654739 /nfs/dbraw/zinc/65/47/39/1269654739.db2.gz SFBWYAMDLANZIE-FGTMMUONSA-N 2 0 352.523 0.487 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001568482903 1269734966 /nfs/dbraw/zinc/73/49/66/1269734966.db2.gz AKXFLJLOKVGRBB-HUUCEWRRSA-N 2 0 365.526 0.701 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001343438385 1269909005 /nfs/dbraw/zinc/90/90/05/1269909005.db2.gz DSBGELOLVRTSKS-JKSUJKDBSA-N 2 0 362.474 0.890 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCc3ccccc3)CC2)C1 ZINC001344630765 1270212598 /nfs/dbraw/zinc/21/25/98/1270212598.db2.gz FVUDOZVZOKAXAZ-IBGZPJMESA-N 2 0 372.513 0.783 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001572966831 1270423768 /nfs/dbraw/zinc/42/37/68/1270423768.db2.gz RIQLODQBBSOACA-BRWVUGGUSA-N 2 0 366.506 0.012 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001573066906 1270588807 /nfs/dbraw/zinc/58/88/07/1270588807.db2.gz GRIXNJQXHKJWRV-KZNAEPCWSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573972450 1270966276 /nfs/dbraw/zinc/96/62/76/1270966276.db2.gz BBAKRRQPJWQEJG-DAXOMENPSA-N 2 0 372.477 0.529 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574039147 1271022396 /nfs/dbraw/zinc/02/23/96/1271022396.db2.gz RFBVRMOPZUWROQ-IOASZLSFSA-N 2 0 372.477 0.577 20 0 FCADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574589720 1271387166 /nfs/dbraw/zinc/38/71/66/1271387166.db2.gz ZXQZCSIVXRWTPL-CYBMUJFWSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598804 1271402126 /nfs/dbraw/zinc/40/21/26/1271402126.db2.gz SEEKDINBOBNVEJ-WFASDCNBSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574670883 1271471454 /nfs/dbraw/zinc/47/14/54/1271471454.db2.gz FYNJDPSOQKCBIE-GFCCVEGCSA-N 2 0 358.450 0.475 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574670957 1271473308 /nfs/dbraw/zinc/47/33/08/1271473308.db2.gz HIBCLIMTZFVIJW-DOMZBBRYSA-N 2 0 360.466 0.577 20 0 FCADRP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574672245 1271474897 /nfs/dbraw/zinc/47/48/97/1271474897.db2.gz VIBAODARRJLQTO-ZDUSSCGKSA-N 2 0 372.477 0.865 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001580654889 1278637939 /nfs/dbraw/zinc/63/79/39/1278637939.db2.gz PUDHYEAJLYIDRK-GJZGRUSLSA-N 2 0 350.467 0.169 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786634 1271520484 /nfs/dbraw/zinc/52/04/84/1271520484.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574803643 1271540232 /nfs/dbraw/zinc/54/02/32/1271540232.db2.gz FUIPIOHAPMJJPA-YNEHKIRRSA-N 2 0 358.450 0.543 20 0 FCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574876487 1271632730 /nfs/dbraw/zinc/63/27/30/1271632730.db2.gz LXYWEJIWGZZQBB-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908562 1271672608 /nfs/dbraw/zinc/67/26/08/1271672608.db2.gz JHASYENFHTZDTR-OLZOCXBDSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574910581 1271676297 /nfs/dbraw/zinc/67/62/97/1271676297.db2.gz FEMNUAABCDWARL-CYBMUJFWSA-N 2 0 358.450 0.476 20 0 FCADRP CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195715 1271780936 /nfs/dbraw/zinc/78/09/36/1271780936.db2.gz MMNWTLIHFUOLLO-MAUKXSAKSA-N 2 0 354.495 0.338 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575389349 1272037951 /nfs/dbraw/zinc/03/79/51/1272037951.db2.gz UCQXAEHLQVIYHN-WDEREUQCSA-N 2 0 351.480 0.863 20 0 FCADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575389346 1272038303 /nfs/dbraw/zinc/03/83/03/1272038303.db2.gz UCQXAEHLQVIYHN-GHMZBOCLSA-N 2 0 351.480 0.863 20 0 FCADRP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001575438001 1272108186 /nfs/dbraw/zinc/10/81/86/1272108186.db2.gz DTRALHBELLASIZ-ZDUSSCGKSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001575439818 1272109741 /nfs/dbraw/zinc/10/97/41/1272109741.db2.gz QOOHJEQWKPZUDY-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575681353 1272294822 /nfs/dbraw/zinc/29/48/22/1272294822.db2.gz DIAPZQXOYIYRQW-UONOGXRCSA-N 2 0 370.523 0.058 20 0 FCADRP C[C@H]([NH2+]CCc1cn[nH]n1)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688688 1272299747 /nfs/dbraw/zinc/29/97/47/1272299747.db2.gz BSPZSOVJZUWFDI-LSDHHAIUSA-N 2 0 374.493 0.246 20 0 FCADRP CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC001575700550 1272322061 /nfs/dbraw/zinc/32/20/61/1272322061.db2.gz QOYJCQGVFWVBNY-UHFFFAOYSA-N 2 0 358.552 0.559 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001575717771 1272366591 /nfs/dbraw/zinc/36/65/91/1272366591.db2.gz QQODIFZRTJFFEX-CQSZACIVSA-N 2 0 352.483 0.319 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001575722362 1272380551 /nfs/dbraw/zinc/38/05/51/1272380551.db2.gz MQFFZDSXMSCZEA-ZACQAIPSSA-N 2 0 353.507 0.885 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001576052339 1272781829 /nfs/dbraw/zinc/78/18/29/1272781829.db2.gz KYNKOPAWPQQOJG-QWHCGFSZSA-N 2 0 368.445 0.181 20 0 FCADRP C[C@@H]1C[C@H]([NH2+]CCc2cn[nH]n2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058798 1272794858 /nfs/dbraw/zinc/79/48/58/1272794858.db2.gz PTFLTXOSFGPOPG-HUUCEWRRSA-N 2 0 364.494 0.427 20 0 FCADRP C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC001576126651 1272922955 /nfs/dbraw/zinc/92/29/55/1272922955.db2.gz DKNKDDCOIZQEMT-QLFBSQMISA-N 2 0 363.510 0.638 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576233134 1273002066 /nfs/dbraw/zinc/00/20/66/1273002066.db2.gz XSLPNRFITDFYOW-IUODEOHRSA-N 2 0 370.461 0.427 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576249043 1273029775 /nfs/dbraw/zinc/02/97/75/1273029775.db2.gz WLKMLJYTQMLSBI-OLZOCXBDSA-N 2 0 358.450 0.142 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576255617 1273040248 /nfs/dbraw/zinc/04/02/48/1273040248.db2.gz LSQJCSYNOXHKRY-PBHICJAKSA-N 2 0 369.473 0.899 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486566 1273336154 /nfs/dbraw/zinc/33/61/54/1273336154.db2.gz XOEVFQARPKDYDD-JKSUJKDBSA-N 2 0 350.467 0.039 20 0 FCADRP CC[C@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)[NH+](C)C ZINC001576490489 1273341520 /nfs/dbraw/zinc/34/15/20/1273341520.db2.gz MNXDNJVMKVRYSD-CABCVRRESA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](CC)CC ZINC001576491322 1273347364 /nfs/dbraw/zinc/34/73/64/1273347364.db2.gz XCLXWZTYGMCPOY-XJKSGUPXSA-N 2 0 372.477 0.817 20 0 FCADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC001576500156 1273363373 /nfs/dbraw/zinc/36/33/73/1273363373.db2.gz POTLLGOPDZUFNZ-HNNXBMFYSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500288 1273363967 /nfs/dbraw/zinc/36/39/67/1273363967.db2.gz XMJRRMIHDZXGRD-JKSUJKDBSA-N 2 0 357.462 0.897 20 0 FCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576505436 1273371667 /nfs/dbraw/zinc/37/16/67/1273371667.db2.gz GVLCJCDFFMPLAJ-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)[NH+](C)C ZINC001576522594 1273411102 /nfs/dbraw/zinc/41/11/02/1273411102.db2.gz XGLGBWTWERIKHT-LSDHHAIUSA-N 2 0 374.493 0.967 20 0 FCADRP C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[NH+]1CCCC1 ZINC001576574619 1273454498 /nfs/dbraw/zinc/45/44/98/1273454498.db2.gz VLDYFMYQETXMOJ-KFWWJZLASA-N 2 0 361.494 0.246 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN2CCC([NH2+]Cc3cnn[nH]3)CC2)CC[N@@H+]1C ZINC001576608463 1273477571 /nfs/dbraw/zinc/47/75/71/1273477571.db2.gz BYPROQJYNHPNFV-DLBZAZTESA-N 2 0 363.510 0.205 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC(OCCC[NH2+]Cc3cnn[nH]3)CC2)CCC1 ZINC001576748547 1273619975 /nfs/dbraw/zinc/61/99/75/1273619975.db2.gz YPWOSCMGSDLZKO-UHFFFAOYSA-N 2 0 364.494 0.776 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001576816440 1273735611 /nfs/dbraw/zinc/73/56/11/1273735611.db2.gz SYHDWVJNTNWBFP-LBPRGKRZSA-N 2 0 357.418 0.456 20 0 FCADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824596 1273747519 /nfs/dbraw/zinc/74/75/19/1273747519.db2.gz SJAYMKNNXPGIDI-OLZOCXBDSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576841989 1273779167 /nfs/dbraw/zinc/77/91/67/1273779167.db2.gz QAIIVCAQHPDDPO-JHJVBQTASA-N 2 0 358.450 0.331 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[C@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576882689 1273862672 /nfs/dbraw/zinc/86/26/72/1273862672.db2.gz JAVFIJVPLDGFRT-YOEHRIQHSA-N 2 0 364.494 0.333 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001576995010 1274029339 /nfs/dbraw/zinc/02/93/39/1274029339.db2.gz HTSDZKDOXMQOTQ-BARDWOONSA-N 2 0 363.510 0.525 20 0 FCADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577165846 1274210097 /nfs/dbraw/zinc/21/00/97/1274210097.db2.gz QOJDDAAPKBSREK-DZGCQCFKSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]Cc1cnn[nH]1 ZINC001577166119 1274212837 /nfs/dbraw/zinc/21/28/37/1274212837.db2.gz SIWLPYHSEUBCBN-ZIAGYGMSSA-N 2 0 360.466 0.061 20 0 FCADRP CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577507407 1274460212 /nfs/dbraw/zinc/46/02/12/1274460212.db2.gz SAZGDRRTHCJRCE-OAHLLOKOSA-N 2 0 363.510 0.783 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550365 1274488566 /nfs/dbraw/zinc/48/85/66/1274488566.db2.gz DVHUHJSXCVADMY-CHWSQXEVSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550366 1274489287 /nfs/dbraw/zinc/48/92/87/1274489287.db2.gz DVHUHJSXCVADMY-OLZOCXBDSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577554207 1274497042 /nfs/dbraw/zinc/49/70/42/1274497042.db2.gz QOBUYDJNBLVKGL-OCCSQVGLSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558193 1274500350 /nfs/dbraw/zinc/50/03/50/1274500350.db2.gz CTMUVSZPVDQFLV-ZIAGYGMSSA-N 2 0 372.477 0.865 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577561137 1274510375 /nfs/dbraw/zinc/51/03/75/1274510375.db2.gz QXQGWNOUEPDVTI-CYBMUJFWSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577568348 1274527028 /nfs/dbraw/zinc/52/70/28/1274527028.db2.gz PBEKWYBYKVUOFS-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665201 1274682729 /nfs/dbraw/zinc/68/27/29/1274682729.db2.gz NHPJXTFTBBYFDZ-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001577674881 1274710287 /nfs/dbraw/zinc/71/02/87/1274710287.db2.gz MWPUAULPVLGOJP-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001577687912 1274740833 /nfs/dbraw/zinc/74/08/33/1274740833.db2.gz VDVAUKGJEDUPKR-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC001577731419 1274805936 /nfs/dbraw/zinc/80/59/36/1274805936.db2.gz PTNQBOKJFJJWAI-GJZGRUSLSA-N 2 0 365.526 0.930 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH2+]C)C2)C1 ZINC001577764074 1274847995 /nfs/dbraw/zinc/84/79/95/1274847995.db2.gz PROXFBFFJQBKEQ-LSDHHAIUSA-N 2 0 356.478 0.875 20 0 FCADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC001577763612 1274848844 /nfs/dbraw/zinc/84/88/44/1274848844.db2.gz FYRBXLKTNNLPMI-OFQRWUPVSA-N 2 0 358.494 0.804 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC001577781344 1274876255 /nfs/dbraw/zinc/87/62/55/1274876255.db2.gz MTDJHVKHQGJKOT-HOCLYGCPSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH2+]C)C[C@H]1C ZINC001577782085 1274876942 /nfs/dbraw/zinc/87/69/42/1274876942.db2.gz UNQLWOBATJBAOX-OAHLLOKOSA-N 2 0 363.510 0.540 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2cnnn2C)C[C@H]1C ZINC001577780759 1274877093 /nfs/dbraw/zinc/87/70/93/1274877093.db2.gz FHYCSVAXDFJQDH-MCIONIFRSA-N 2 0 359.482 0.190 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577849066 1274982950 /nfs/dbraw/zinc/98/29/50/1274982950.db2.gz BISBMBPLNCFNHZ-UHFFFAOYSA-N 2 0 374.493 0.922 20 0 FCADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577849063 1274984304 /nfs/dbraw/zinc/98/43/04/1274984304.db2.gz BFDZKUKKIQPLPS-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852566 1274997411 /nfs/dbraw/zinc/99/74/11/1274997411.db2.gz USERMDIVQCNWLD-MLGOLLRUSA-N 2 0 372.477 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577855556 1275005405 /nfs/dbraw/zinc/00/54/05/1275005405.db2.gz JDMFINZSAXMZRR-UHFFFAOYSA-N 2 0 372.477 0.951 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860490 1275023590 /nfs/dbraw/zinc/02/35/90/1275023590.db2.gz XQGIUEGZPZMJIE-STQMWFEESA-N 2 0 360.466 0.721 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862725 1275030232 /nfs/dbraw/zinc/03/02/32/1275030232.db2.gz JIHSDOBJIXXBBY-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577866736 1275048112 /nfs/dbraw/zinc/04/81/12/1275048112.db2.gz KPNLXTGCXDYQQF-XMQYKBBCSA-N 2 0 370.461 0.402 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577871907 1275060854 /nfs/dbraw/zinc/06/08/54/1275060854.db2.gz RNNYGXSZIISOIA-HALDLXJZSA-N 2 0 370.461 0.463 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577880049 1275079136 /nfs/dbraw/zinc/07/91/36/1275079136.db2.gz RZBBMURHLQOLEL-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577885650 1275089414 /nfs/dbraw/zinc/08/94/14/1275089414.db2.gz IYXYVPUNRDSSDW-ZDUSSCGKSA-N 2 0 358.450 0.428 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888019 1275093992 /nfs/dbraw/zinc/09/39/92/1275093992.db2.gz ABMKLQPDHHOMKQ-OLZOCXBDSA-N 2 0 360.466 0.639 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577892569 1275102414 /nfs/dbraw/zinc/10/24/14/1275102414.db2.gz QNVHCJRRFXRNSM-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577892546 1275102885 /nfs/dbraw/zinc/10/28/85/1275102885.db2.gz PVRSZRISJMFXGZ-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895877 1275106627 /nfs/dbraw/zinc/10/66/27/1275106627.db2.gz RPHIQXMKDNQVQK-OKILXGFUSA-N 2 0 372.477 0.641 20 0 FCADRP CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCC3(C[NH2+]C3)CC2)CC1 ZINC001577932412 1275147192 /nfs/dbraw/zinc/14/71/92/1275147192.db2.gz POHZFAVNVJLRJT-WUJZJPHMSA-N 2 0 354.491 0.907 20 0 FCADRP CC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952497 1275174489 /nfs/dbraw/zinc/17/44/89/1275174489.db2.gz NLCCKBXMOBBPOV-MRXNPFEDSA-N 2 0 373.461 0.135 20 0 FCADRP CCN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001578107254 1275410128 /nfs/dbraw/zinc/41/01/28/1275410128.db2.gz KQEKGNKMHLLURA-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP CCN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001578107174 1275410179 /nfs/dbraw/zinc/41/01/79/1275410179.db2.gz HKZZRJXQNYQRQN-UHFFFAOYSA-N 2 0 369.473 0.901 20 0 FCADRP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)CC[NH+](C)C ZINC001578107936 1275411366 /nfs/dbraw/zinc/41/13/66/1275411366.db2.gz WMJXELDILLPFRH-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001578136216 1275435103 /nfs/dbraw/zinc/43/51/03/1275435103.db2.gz OGWDAAAUXDBAOS-OAHLLOKOSA-N 2 0 370.461 0.286 20 0 FCADRP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CC1([NH+](C)C)CCOCC1 ZINC001578138058 1275436627 /nfs/dbraw/zinc/43/66/27/1275436627.db2.gz CXXGFIRKLJFUMV-OAHLLOKOSA-N 2 0 366.510 0.853 20 0 FCADRP CCOCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CCC[NH+]1CCCCC1 ZINC001578144815 1275444883 /nfs/dbraw/zinc/44/48/83/1275444883.db2.gz QTQGMZJNHWMMND-MRXNPFEDSA-N 2 0 366.510 0.855 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC001578151497 1275451485 /nfs/dbraw/zinc/45/14/85/1275451485.db2.gz ODJUFTMXXRBELX-RBSFLKMASA-N 2 0 372.510 0.654 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220870 1275519889 /nfs/dbraw/zinc/51/98/89/1275519889.db2.gz BHOBMWRHENMQOZ-IUODEOHRSA-N 2 0 358.450 0.475 20 0 FCADRP CCc1nnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578308185 1275643917 /nfs/dbraw/zinc/64/39/17/1275643917.db2.gz DTTBQGRLQQRUAD-HUUCEWRRSA-N 2 0 350.511 0.861 20 0 FCADRP C[NH+](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1)c1ccco1 ZINC001578409039 1275781949 /nfs/dbraw/zinc/78/19/49/1275781949.db2.gz SRBFMIVNIDUBNB-KBPBESRZSA-N 2 0 373.461 0.535 20 0 FCADRP C[NH+](C)CCc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH2+]CC2)c1 ZINC001578419097 1275787719 /nfs/dbraw/zinc/78/77/19/1275787719.db2.gz OSMKBJBVTWHSCQ-SFHVURJKSA-N 2 0 358.486 0.827 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cn(C2C[NH2+]C2)nn1 ZINC001578420943 1275789823 /nfs/dbraw/zinc/78/98/23/1275789823.db2.gz HRDNBOYUBCREFI-UHFFFAOYSA-N 2 0 357.462 0.826 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578448895 1275844112 /nfs/dbraw/zinc/84/41/12/1275844112.db2.gz MGTMGSDWJFWUCA-HEHGZKQESA-N 2 0 372.477 0.639 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578526000 1275960078 /nfs/dbraw/zinc/96/00/78/1275960078.db2.gz WPZXJOJIQJKNMX-QFBILLFUSA-N 2 0 371.489 0.116 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001578536572 1275964406 /nfs/dbraw/zinc/96/44/06/1275964406.db2.gz AKOFWPRJGLBAOS-IAGOWNOFSA-N 2 0 358.490 0.727 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001578637323 1276086636 /nfs/dbraw/zinc/08/66/36/1276086636.db2.gz BIIDXARTYSFXEP-CYBMUJFWSA-N 2 0 357.499 0.883 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001578654516 1276105402 /nfs/dbraw/zinc/10/54/02/1276105402.db2.gz RKDLVUFJHQUWCB-IRXDYDNUSA-N 2 0 353.511 0.034 20 0 FCADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578664024 1276115064 /nfs/dbraw/zinc/11/50/64/1276115064.db2.gz LBXBRTWYGTUJJE-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC12C[NH2+]C2 ZINC001578794065 1276280176 /nfs/dbraw/zinc/28/01/76/1276280176.db2.gz BGNYEXHWFRLKFU-HNNXBMFYSA-N 2 0 354.495 0.903 20 0 FCADRP COC(=O)[C@H]1C[N@H+](CCOCC[NH3+])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001578796622 1276285140 /nfs/dbraw/zinc/28/51/40/1276285140.db2.gz KOXACINXBMOURE-CYBMUJFWSA-N 2 0 357.451 0.304 20 0 FCADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578878602 1276406871 /nfs/dbraw/zinc/40/68/71/1276406871.db2.gz SAEOKXYJNTUCFC-INIZCTEOSA-N 2 0 369.473 0.995 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)NC3(CCO)C[NH2+]C3)CCCC2)CC1 ZINC001578940723 1276483795 /nfs/dbraw/zinc/48/37/95/1276483795.db2.gz JRERRKWDVIRZSG-UHFFFAOYSA-N 2 0 354.495 0.434 20 0 FCADRP COC[C@H](CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)OC ZINC001578960933 1276504890 /nfs/dbraw/zinc/50/48/90/1276504890.db2.gz QHUWTNBFJIZNKJ-BBWFWOEESA-N 2 0 354.495 0.648 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578962285 1276506717 /nfs/dbraw/zinc/50/67/17/1276506717.db2.gz MJUIFGYXNUJVLA-LBPRGKRZSA-N 2 0 356.434 0.181 20 0 FCADRP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1 ZINC001578966169 1276509674 /nfs/dbraw/zinc/50/96/74/1276509674.db2.gz JIGPJLJANKGHHG-UHFFFAOYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578970703 1276515065 /nfs/dbraw/zinc/51/50/65/1276515065.db2.gz HGMUXKKQEAPLTK-HNNXBMFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578974961 1276523908 /nfs/dbraw/zinc/52/39/08/1276523908.db2.gz YJTNPVJOQOKSFD-CYBMUJFWSA-N 2 0 361.425 0.648 20 0 FCADRP CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578974847 1276524176 /nfs/dbraw/zinc/52/41/76/1276524176.db2.gz VFSFGNUFCMPQKZ-UHFFFAOYSA-N 2 0 372.477 0.888 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001578975591 1276524634 /nfs/dbraw/zinc/52/46/34/1276524634.db2.gz BSDMHCVNXPPIEB-BETUJISGSA-N 2 0 356.434 0.108 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001578976097 1276526258 /nfs/dbraw/zinc/52/62/58/1276526258.db2.gz NIFAODKDLQIHPL-MRXNPFEDSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001578976243 1276527779 /nfs/dbraw/zinc/52/77/79/1276527779.db2.gz SBSNVQPAWPCSIM-ACJLOTCBSA-N 2 0 370.461 0.498 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001578976372 1276528189 /nfs/dbraw/zinc/52/81/89/1276528189.db2.gz XBYAKBVRFOLNJG-CALCHBBNSA-N 2 0 369.473 0.709 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001578976369 1276528564 /nfs/dbraw/zinc/52/85/64/1276528564.db2.gz WVPAXZXJPWZLPJ-AWEZNQCLSA-N 2 0 360.466 0.578 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001578978074 1276534668 /nfs/dbraw/zinc/53/46/68/1276534668.db2.gz DKTYLPJMBHYDBL-MRXNPFEDSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578980170 1276540097 /nfs/dbraw/zinc/54/00/97/1276540097.db2.gz CDPFVCHASFUEHI-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001578980726 1276542096 /nfs/dbraw/zinc/54/20/96/1276542096.db2.gz NPYKADORYFUZLX-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP C[NH+](C)CCC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578980791 1276542518 /nfs/dbraw/zinc/54/25/18/1276542518.db2.gz PUBFWQVDCJKJCS-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCC(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001578981569 1276543780 /nfs/dbraw/zinc/54/37/80/1276543780.db2.gz ZUKVXTHMVGJOEB-UHFFFAOYSA-N 2 0 357.462 0.899 20 0 FCADRP C[NH+](C)CCCC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578985935 1276553453 /nfs/dbraw/zinc/55/34/53/1276553453.db2.gz UVRPJOXHSNWAMT-UHFFFAOYSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCCC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987790 1276559012 /nfs/dbraw/zinc/55/90/12/1276559012.db2.gz RPOLVBDQCISBJY-AWEZNQCLSA-N 2 0 372.477 0.936 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987858 1276559457 /nfs/dbraw/zinc/55/94/57/1276559457.db2.gz UNNQKBXFUCDOBG-JOCQHMNTSA-N 2 0 358.450 0.332 20 0 FCADRP COC[C@@H]1CN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001578990555 1276563801 /nfs/dbraw/zinc/56/38/01/1276563801.db2.gz ZHSSMVKBLKIPOW-PMPSAXMXSA-N 2 0 366.510 0.547 20 0 FCADRP C[NH+](C)C[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(C3CC3)n2)C[C@H]1C[NH+](C)C ZINC001578991731 1276565611 /nfs/dbraw/zinc/56/56/11/1276565611.db2.gz FDEQJNQTHISGRV-ZIAGYGMSSA-N 2 0 371.493 0.710 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)nc2)C[C@H]1C[NH+](C)C ZINC001578992116 1276566113 /nfs/dbraw/zinc/56/61/13/1276566113.db2.gz MOBGONYXIDEHRN-ZIAGYGMSSA-N 2 0 358.450 0.073 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579009886 1276582308 /nfs/dbraw/zinc/58/23/08/1276582308.db2.gz YJJYXMDOVYXOND-BETUJISGSA-N 2 0 372.477 0.721 20 0 FCADRP COCC[N@H+](C)CCn1c(CC2CC2)nnc1N(C)C1CC[NH2+]CC1 ZINC001579022090 1276598976 /nfs/dbraw/zinc/59/89/76/1276598976.db2.gz RPBNCKKYXPMOOI-UHFFFAOYSA-N 2 0 350.511 0.997 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3[NH2+]2)C[C@H]1C ZINC001579038274 1276623655 /nfs/dbraw/zinc/62/36/55/1276623655.db2.gz FKYNUIVKJFBYBD-MXASKKJJSA-N 2 0 364.494 0.120 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2C[NH2+]C2)C[C@@H]1C ZINC001579039610 1276627280 /nfs/dbraw/zinc/62/72/80/1276627280.db2.gz WJZWKLADQMVQOQ-AWEZNQCLSA-N 2 0 372.477 0.111 20 0 FCADRP COC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001579083270 1276711366 /nfs/dbraw/zinc/71/13/66/1276711366.db2.gz PJVTZMGIXVDZTR-IRXDYDNUSA-N 2 0 350.463 0.875 20 0 FCADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579179600 1276941610 /nfs/dbraw/zinc/94/16/10/1276941610.db2.gz DDFODOYLVIWVBQ-UHFFFAOYSA-N 2 0 361.425 0.650 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001579214434 1277008870 /nfs/dbraw/zinc/00/88/70/1277008870.db2.gz CMTODHVUMVQWPY-BBRMVZONSA-N 2 0 370.461 0.571 20 0 FCADRP CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325281 1277143278 /nfs/dbraw/zinc/14/32/78/1277143278.db2.gz GYNOKLLFYGSRJY-ZIAGYGMSSA-N 2 0 370.461 0.498 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326009 1277148977 /nfs/dbraw/zinc/14/89/77/1277148977.db2.gz HNTVXXMNYVFKPN-IRXDYDNUSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326010 1277150056 /nfs/dbraw/zinc/15/00/56/1277150056.db2.gz HNTVXXMNYVFKPN-SJORKVTESA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327002 1277153219 /nfs/dbraw/zinc/15/32/19/1277153219.db2.gz NWHUBEQEGKDTIC-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579327297 1277154885 /nfs/dbraw/zinc/15/48/85/1277154885.db2.gz ZFRSGFSNWPMUIO-JKSUJKDBSA-N 2 0 369.473 0.851 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579327835 1277155542 /nfs/dbraw/zinc/15/55/42/1277155542.db2.gz XYEHDTINSHISAQ-AWEZNQCLSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328807 1277157675 /nfs/dbraw/zinc/15/76/75/1277157675.db2.gz KBSKGYICBJXBBX-INIZCTEOSA-N 2 0 369.473 0.853 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331518 1277162065 /nfs/dbraw/zinc/16/20/65/1277162065.db2.gz FGKQUXAICLOXGE-HNNXBMFYSA-N 2 0 355.446 0.557 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333190 1277166253 /nfs/dbraw/zinc/16/62/53/1277166253.db2.gz OTQLCWRINTWVIA-SWLSCSKDSA-N 2 0 372.477 0.578 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340955 1277187198 /nfs/dbraw/zinc/18/71/98/1277187198.db2.gz DIJSJPJCMAMFRT-KBPBESRZSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341876 1277190458 /nfs/dbraw/zinc/19/04/58/1277190458.db2.gz XJMKGMGENBDKJG-UONOGXRCSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342626 1277190481 /nfs/dbraw/zinc/19/04/81/1277190481.db2.gz APSJQQCZJDXNBX-ZBFHGGJFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579342751 1277192884 /nfs/dbraw/zinc/19/28/84/1277192884.db2.gz CROIJAXHOLKTSZ-ZDUSSCGKSA-N 2 0 370.461 0.689 20 0 FCADRP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579344018 1277194834 /nfs/dbraw/zinc/19/48/34/1277194834.db2.gz BZGKORAPPNJHLJ-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347883 1277201466 /nfs/dbraw/zinc/20/14/66/1277201466.db2.gz NTMFOIHODGOJKA-AVGNSLFASA-N 2 0 356.434 0.085 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352918 1277209513 /nfs/dbraw/zinc/20/95/13/1277209513.db2.gz BCZHJOHXEBZLPJ-QGZVFWFLSA-N 2 0 369.473 0.995 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355589 1277220487 /nfs/dbraw/zinc/22/04/87/1277220487.db2.gz FPCAXHAGICCLJV-BDVYOWHSSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579358430 1277227356 /nfs/dbraw/zinc/22/73/56/1277227356.db2.gz DLGYQPOGILMODC-HNNXBMFYSA-N 2 0 355.446 0.699 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362123 1277239160 /nfs/dbraw/zinc/23/91/60/1277239160.db2.gz QEHRHHDPQHNOFV-COMQUAJESA-N 2 0 373.486 0.569 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579363162 1277241309 /nfs/dbraw/zinc/24/13/09/1277241309.db2.gz WMKRRXDAWYMWCT-HYVNUMGLSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579375332 1277256492 /nfs/dbraw/zinc/25/64/92/1277256492.db2.gz VPFRXFMDBUYEGL-XJKCOSOUSA-N 2 0 373.436 0.837 20 0 FCADRP Cn1cc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[NH3+])cn1 ZINC001579951493 1277976161 /nfs/dbraw/zinc/97/61/61/1277976161.db2.gz OJVCNYCDQSYBOG-OAHLLOKOSA-N 2 0 374.493 0.186 20 0 FCADRP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC001580027555 1277994142 /nfs/dbraw/zinc/99/41/42/1277994142.db2.gz DNSNVYPBOARALL-SWLSCSKDSA-N 2 0 373.461 0.564 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580277358 1278073254 /nfs/dbraw/zinc/07/32/54/1278073254.db2.gz XLBJDTQAAFWBFH-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580279112 1278078082 /nfs/dbraw/zinc/07/80/82/1278078082.db2.gz MIONRKRXMLACTQ-GUYCJALGSA-N 2 0 369.473 0.803 20 0 FCADRP O=S1CCN(c2nnc(C3CC[NH2+]CC3)n2CC[NH+]2CCCC2)CC1 ZINC001580872923 1279076512 /nfs/dbraw/zinc/07/65/12/1279076512.db2.gz NKRNNNSJWRNVHM-UHFFFAOYSA-N 2 0 366.535 0.410 20 0 FCADRP Cc1cc(N(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943415 1279150890 /nfs/dbraw/zinc/15/08/90/1279150890.db2.gz GQHXLTUFENFBPZ-BFHYXJOUSA-N 2 0 372.477 0.851 20 0 FCADRP Cc1cc(N(C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943163 1279151552 /nfs/dbraw/zinc/15/15/52/1279151552.db2.gz ZCCJSFUEMJJNRJ-CQSZACIVSA-N 2 0 370.461 0.703 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955463 1279158034 /nfs/dbraw/zinc/15/80/34/1279158034.db2.gz SOVDVESSMBBQQH-ZDUSSCGKSA-N 2 0 358.450 0.559 20 0 FCADRP Cc1cc(N2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954880 1279158579 /nfs/dbraw/zinc/15/85/79/1279158579.db2.gz BZEPQSZNRUEWHV-KBPBESRZSA-N 2 0 370.461 0.559 20 0 FCADRP Cc1cc(N2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955760 1279160116 /nfs/dbraw/zinc/16/01/16/1279160116.db2.gz BVJCIUGYFRPNAZ-AWEZNQCLSA-N 2 0 370.461 0.608 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975855 1279176201 /nfs/dbraw/zinc/17/62/01/1279176201.db2.gz NEJRODCPKXTJCH-BXUZGUMPSA-N 2 0 358.450 0.463 20 0 FCADRP Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988009 1279187665 /nfs/dbraw/zinc/18/76/65/1279187665.db2.gz OVDSSTDOPPRIQG-KBPBESRZSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988220 1279189027 /nfs/dbraw/zinc/18/90/27/1279189027.db2.gz QCOZWYGYTYGSOK-KGLIPLIRSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989364 1279189917 /nfs/dbraw/zinc/18/99/17/1279189917.db2.gz WYLFAAZDOVMAHG-LBPRGKRZSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991793 1279195992 /nfs/dbraw/zinc/19/59/92/1279195992.db2.gz WGVGVFAFQOFMOF-OLZOCXBDSA-N 2 0 358.450 0.203 20 0 FCADRP Cc1cc(NC2CC(N(C)C(=O)CCC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003823 1279221206 /nfs/dbraw/zinc/22/12/06/1279221206.db2.gz XBZPCYIOZMUGEU-UHFFFAOYSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NC[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010693 1279236565 /nfs/dbraw/zinc/23/65/65/1279236565.db2.gz SXEVBZIZNKSOOG-GFCCVEGCSA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013655 1279240283 /nfs/dbraw/zinc/24/02/83/1279240283.db2.gz UVPIAIPLFBKRRP-GXTWGEPZSA-N 2 0 372.477 0.593 20 0 FCADRP Cc1cc(NC[C@@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013852 1279241211 /nfs/dbraw/zinc/24/12/11/1279241211.db2.gz XWEQYNIUUIOXMT-CYBMUJFWSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018955 1279249434 /nfs/dbraw/zinc/24/94/34/1279249434.db2.gz HWAMPWQRCGTNHR-SEEARECTSA-N 2 0 370.461 0.393 20 0 FCADRP Cc1cc(NCC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581019560 1279249821 /nfs/dbraw/zinc/24/98/21/1279249821.db2.gz AUHNWYHPYBOPFT-UHFFFAOYSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024138 1279255273 /nfs/dbraw/zinc/25/52/73/1279255273.db2.gz BMKRDKOKAIGMPA-GFCCVEGCSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025025 1279256895 /nfs/dbraw/zinc/25/68/95/1279256895.db2.gz NGSGDWYWIFALBN-OCCSQVGLSA-N 2 0 372.477 0.450 20 0 FCADRP Cc1cc(NCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026344 1279259584 /nfs/dbraw/zinc/25/95/84/1279259584.db2.gz DJNITRHGBKKQAS-OAHLLOKOSA-N 2 0 370.461 0.204 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581029909 1279266849 /nfs/dbraw/zinc/26/68/49/1279266849.db2.gz DKTPFSUHMTWBEI-KGLIPLIRSA-N 2 0 372.477 0.783 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030325 1279267850 /nfs/dbraw/zinc/26/78/50/1279267850.db2.gz UTKGOHNYWBDIOD-CYBMUJFWSA-N 2 0 372.477 0.641 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C2CCCCC2)CC[N@@H+]1C ZINC001715587262 1287356304 /nfs/dbraw/zinc/35/63/04/1287356304.db2.gz SYFOAOHLDBDOQN-HYVNUMGLSA-N 2 0 368.522 0.184 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717318922 1287417841 /nfs/dbraw/zinc/41/78/41/1287417841.db2.gz OPSUWUCGEWATAM-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP Cc1oc(-c2nn[nH]n2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001581727368 1280424903 /nfs/dbraw/zinc/42/49/03/1280424903.db2.gz UHAYXJYRZNAHSG-CHWSQXEVSA-N 2 0 361.450 0.580 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582097682 1281052004 /nfs/dbraw/zinc/05/20/04/1281052004.db2.gz KGIBPQDMMLBFBL-UHFFFAOYSA-N 2 0 369.473 0.997 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582097775 1281053269 /nfs/dbraw/zinc/05/32/69/1281053269.db2.gz NFKLUZMVALGXKF-GFCCVEGCSA-N 2 0 361.475 0.715 20 0 FCADRP O=C(N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582210478 1281191230 /nfs/dbraw/zinc/19/12/30/1281191230.db2.gz CSONKJCPJKVLNS-MRXNPFEDSA-N 2 0 367.457 0.653 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001604197533 1287585359 /nfs/dbraw/zinc/58/53/59/1287585359.db2.gz JLOPMKJLRCVBCJ-AWEZNQCLSA-N 2 0 372.477 0.949 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001718943041 1287597401 /nfs/dbraw/zinc/59/74/01/1287597401.db2.gz BBJSXOSZIJFBER-BRWVUGGUSA-N 2 0 368.522 0.402 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589468181 1282888940 /nfs/dbraw/zinc/88/89/40/1282888940.db2.gz XBXKFZZGYZYJHI-MRXNPFEDSA-N 2 0 374.493 0.923 20 0 FCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001590210937 1283340855 /nfs/dbraw/zinc/34/08/55/1283340855.db2.gz WTQGUPCMRBPJMP-TZMCWYRMSA-N 2 0 370.461 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001719072572 1287656512 /nfs/dbraw/zinc/65/65/12/1287656512.db2.gz NRDBGHNUEROGJR-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001590855746 1283929009 /nfs/dbraw/zinc/92/90/09/1283929009.db2.gz AHRWYDXFLZAFFA-HNNXBMFYSA-N 2 0 363.441 0.942 20 0 FCADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071154 1284131469 /nfs/dbraw/zinc/13/14/69/1284131469.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 2 0 357.462 0.757 20 0 FCADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591075126 1284142131 /nfs/dbraw/zinc/14/21/31/1284142131.db2.gz YLASFSGKIJEIFZ-MRXNPFEDSA-N 2 0 357.462 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174704 1284263296 /nfs/dbraw/zinc/26/32/96/1284263296.db2.gz AFEYSIVBFQDMPI-KBPBESRZSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175595 1284264859 /nfs/dbraw/zinc/26/48/59/1284264859.db2.gz QDSJZTOIMLZXSU-STQMWFEESA-N 2 0 356.434 0.156 20 0 FCADRP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591175762 1284264911 /nfs/dbraw/zinc/26/49/11/1284264911.db2.gz UVLAYKKNFJZHSY-IHWYPQMZSA-N 2 0 369.473 0.971 20 0 FCADRP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591176255 1284269652 /nfs/dbraw/zinc/26/96/52/1284269652.db2.gz MKSPQHJZGXNDJL-UHFFFAOYSA-N 2 0 357.462 0.804 20 0 FCADRP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001591176725 1284270411 /nfs/dbraw/zinc/27/04/11/1284270411.db2.gz UDWVJFPEDUKZRP-UHFFFAOYSA-N 2 0 363.491 0.866 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001591178298 1284273911 /nfs/dbraw/zinc/27/39/11/1284273911.db2.gz QYZKKSVCTMDMPS-QAQDUYKDSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196011 1284316891 /nfs/dbraw/zinc/31/68/91/1284316891.db2.gz ZVKLCBUJMGQMSW-OWCLPIDISA-N 2 0 358.446 0.490 20 0 FCADRP C[NH2+]CCCNC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591216950 1284353040 /nfs/dbraw/zinc/35/30/40/1284353040.db2.gz AUYMMOXUYCNFDQ-UHFFFAOYSA-N 2 0 372.477 0.740 20 0 FCADRP C[NH+](C)CC1(C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001604680556 1287726701 /nfs/dbraw/zinc/72/67/01/1287726701.db2.gz PAUBYUZQIOHEEN-UHFFFAOYSA-N 2 0 372.477 0.724 20 0 FCADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1-c1nn[nH]n1 ZINC001591510963 1284702336 /nfs/dbraw/zinc/70/23/36/1284702336.db2.gz ILVULSIBFXOXOJ-UHFFFAOYSA-N 2 0 361.450 0.441 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2csc(-c3nn[nH]n3)c2)CC1 ZINC001604687794 1287733171 /nfs/dbraw/zinc/73/31/71/1287733171.db2.gz GGNYTZZEYPVXSW-UHFFFAOYSA-N 2 0 363.491 0.818 20 0 FCADRP Cc1cc(N2CC([NH+](C)C)C2)c(-c2nn[nH]n2)c(N2CC([NH+](C)C)C2)[nH+]1 ZINC001592001055 1285052460 /nfs/dbraw/zinc/05/24/60/1285052460.db2.gz NOFXDAORHPHGQP-UHFFFAOYSA-N 3 0 357.466 0.071 20 0 FCADRP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001566 1285052994 /nfs/dbraw/zinc/05/29/94/1285052994.db2.gz CHIMTUNUJTYFIY-HIFRSBDPSA-N 2 0 370.461 0.701 20 0 FCADRP Cc1cc(NCCCNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047582 1285091151 /nfs/dbraw/zinc/09/11/51/1285091151.db2.gz NYUXKNXGLVDBNW-OAHLLOKOSA-N 2 0 358.450 0.395 20 0 FCADRP Cc1cc(NCCCN(C)C(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048293 1285092859 /nfs/dbraw/zinc/09/28/59/1285092859.db2.gz ZKWZZUKHICLMKR-UHFFFAOYSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592051738 1285096923 /nfs/dbraw/zinc/09/69/23/1285096923.db2.gz GZXSHFZMCZPXKV-MRXNPFEDSA-N 2 0 365.441 0.823 20 0 FCADRP Cc1nsc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1-c1nn[nH]n1 ZINC001592478064 1285416586 /nfs/dbraw/zinc/41/65/86/1285416586.db2.gz QHWQCSKIFPFJDZ-VXGBXAGGSA-N 2 0 350.496 0.807 20 0 FCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001604803885 1287786382 /nfs/dbraw/zinc/78/63/82/1287786382.db2.gz OSRDTQBQNZGULY-QGZVFWFLSA-N 2 0 369.473 0.995 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001592745556 1285665823 /nfs/dbraw/zinc/66/58/23/1285665823.db2.gz VXBUXNXWWILQQW-UHFFFAOYSA-N 2 0 373.870 0.208 20 0 FCADRP Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1-c1nn[nH]n1 ZINC001609267743 1289031896 /nfs/dbraw/zinc/03/18/96/1289031896.db2.gz JDBBWDBOVBGYSO-UHFFFAOYSA-N 2 0 362.482 0.551 20 0 FCADRP O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CC[NH2+]CC1 ZINC001592987747 1285871319 /nfs/dbraw/zinc/87/13/19/1285871319.db2.gz BTHQBMKULPVTLW-UHFFFAOYSA-N 2 0 369.473 0.947 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037391 1285921609 /nfs/dbraw/zinc/92/16/09/1285921609.db2.gz DIQCOOXLQZKURD-WMLDXEAASA-N 2 0 369.473 0.947 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001707126509 1286462466 /nfs/dbraw/zinc/46/24/66/1286462466.db2.gz IAMGCEVCXSTQTO-BHYGNILZSA-N 2 0 351.495 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001707166371 1286487751 /nfs/dbraw/zinc/48/77/51/1286487751.db2.gz WNCZJCKUMIUPFS-ILXRZTDVSA-N 2 0 369.510 0.389 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719133020 1287799512 /nfs/dbraw/zinc/79/95/12/1287799512.db2.gz DIZVQJYAFUPASH-GVDBMIGSSA-N 2 0 368.522 0.281 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2O)CCC1 ZINC001719282403 1288019370 /nfs/dbraw/zinc/01/93/70/1288019370.db2.gz RHTNRMWDNFDVHF-CVEARBPZSA-N 2 0 371.441 0.120 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1O ZINC001719295645 1288056732 /nfs/dbraw/zinc/05/67/32/1288056732.db2.gz HVSUDUJVPWLVBT-SJORKVTESA-N 2 0 368.522 0.138 20 0 FCADRP Cc1cc(NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733099 1288065534 /nfs/dbraw/zinc/06/55/34/1288065534.db2.gz ZYEHFQARXHHPDU-SNAWJCMRSA-N 2 0 370.461 0.418 20 0 FCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC001606437554 1288317543 /nfs/dbraw/zinc/31/75/43/1288317543.db2.gz MMPJZSXDEGVGGS-UHFFFAOYSA-N 2 0 373.870 0.208 20 0 FCADRP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001607096079 1288659702 /nfs/dbraw/zinc/65/97/02/1288659702.db2.gz AANRYCPENLNRHE-DLBZAZTESA-N 2 0 372.473 0.928 20 0 FCADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172954 1288965286 /nfs/dbraw/zinc/96/52/86/1288965286.db2.gz HJRZODDPMLVJQZ-PBHICJAKSA-N 2 0 360.462 0.991 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1OC ZINC001735896210 1289005122 /nfs/dbraw/zinc/00/51/22/1289005122.db2.gz ALWXSUDXKIMCJA-BRWVUGGUSA-N 2 0 368.522 0.543 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001691917699 1289342729 /nfs/dbraw/zinc/34/27/29/1289342729.db2.gz MLICHUUBCANMFF-HRCADAONSA-N 2 0 366.485 0.964 20 0 FCADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001691936300 1289346680 /nfs/dbraw/zinc/34/66/80/1289346680.db2.gz VEJXOHYNRXQRQU-HRCADAONSA-N 2 0 368.522 0.448 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001692027676 1289371089 /nfs/dbraw/zinc/37/10/89/1289371089.db2.gz IKPFSSNHPGWWDP-OWCLPIDISA-N 2 0 354.495 0.058 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692084783 1289390512 /nfs/dbraw/zinc/39/05/12/1289390512.db2.gz LVDLJRLRDDBVNS-IKGGRYGDSA-N 2 0 365.522 0.426 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692084784 1289393409 /nfs/dbraw/zinc/39/34/09/1289393409.db2.gz LVDLJRLRDDBVNS-ZACQAIPSSA-N 2 0 365.522 0.426 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001692216490 1289429944 /nfs/dbraw/zinc/42/99/44/1289429944.db2.gz DXGNMHNQASPJDP-QAPCUYQASA-N 2 0 363.506 0.652 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001692281275 1289441079 /nfs/dbraw/zinc/44/10/79/1289441079.db2.gz XWHYTGCRIRZZHR-ZACQAIPSSA-N 2 0 371.547 0.543 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286913 1289445582 /nfs/dbraw/zinc/44/55/82/1289445582.db2.gz VYQQJHDYXXPHHW-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001698960617 1289539918 /nfs/dbraw/zinc/53/99/18/1289539918.db2.gz IGDLOMVYONSYMN-UPJWGTAASA-N 2 0 366.428 0.736 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)CC[N@@H+]1C ZINC001699257878 1289548299 /nfs/dbraw/zinc/54/82/99/1289548299.db2.gz FLBXKVNMZGEFQS-SQLJOLKNSA-N 2 0 358.446 0.125 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001699651121 1289560501 /nfs/dbraw/zinc/56/05/01/1289560501.db2.gz KYTZWQSOIKIGSH-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615851942 1289763044 /nfs/dbraw/zinc/76/30/44/1289763044.db2.gz ZJBFZQODYAQMCM-MAUKXSAKSA-N 2 0 350.511 0.999 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](CC)CC ZINC001702189970 1289823322 /nfs/dbraw/zinc/82/33/22/1289823322.db2.gz GWORVQZHDBGYMI-IXDOHACOSA-N 2 0 368.522 0.137 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)Nc2nccs2)C2CC2)CC[N@@H+]1C ZINC001754440552 1290627605 /nfs/dbraw/zinc/62/76/05/1290627605.db2.gz FFHRYUCTWGPVST-MRVWCRGKSA-N 2 0 365.503 0.906 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)CC1 ZINC001757028919 1290700114 /nfs/dbraw/zinc/70/01/14/1290700114.db2.gz RDYTUJJTRGURPW-IAGOWNOFSA-N 2 0 368.522 0.138 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661887 1291289382 /nfs/dbraw/zinc/28/93/82/1291289382.db2.gz CSFQHSKEJXATCX-JKSUJKDBSA-N 2 0 355.479 0.583 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001656543239 1291543358 /nfs/dbraw/zinc/54/33/58/1291543358.db2.gz YDPHPAWYPRYTCJ-CABCVRRESA-N 2 0 364.494 0.021 20 0 FCADRP C[NH+]1CCC(C[NH2+]Cc2cc(C(N)=O)cs2)(N2CCOCC2)CC1 ZINC001657536717 1291613614 /nfs/dbraw/zinc/61/36/14/1291613614.db2.gz WHCFIRSFBFMFLQ-UHFFFAOYSA-N 2 0 352.504 0.733 20 0 FCADRP Cc1nn2cccnc2c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001661348200 1291688500 /nfs/dbraw/zinc/68/85/00/1291688500.db2.gz VESAFOMNKAFMLY-UHFFFAOYSA-N 2 0 354.480 0.152 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cc(C)on3)C2)CC[N@@H+]1C ZINC001662492683 1291726800 /nfs/dbraw/zinc/72/68/00/1291726800.db2.gz HAIWNQAZLFRULP-SOUVJXGZSA-N 2 0 363.462 0.842 20 0 FCADRP CC(C)CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001688979789 1294557253 /nfs/dbraw/zinc/55/72/53/1294557253.db2.gz IZOHZMDYMPVNFR-JQHSSLGASA-N 2 0 364.534 0.975 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001688984903 1294558779 /nfs/dbraw/zinc/55/87/79/1294558779.db2.gz MKXNUILCURHPPJ-HZSPNIEDSA-N 2 0 367.494 0.189 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001689098323 1294616153 /nfs/dbraw/zinc/61/61/53/1294616153.db2.gz IZOFOWDAKGKODQ-CABCVRRESA-N 2 0 369.510 0.391 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236419 1294698238 /nfs/dbraw/zinc/69/82/38/1294698238.db2.gz DILHUWGNFLKLNZ-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2ccc(CC[NH2+]CC(=O)NC)cc2)CC[N@@H+]1C ZINC001690795040 1294884399 /nfs/dbraw/zinc/88/43/99/1294884399.db2.gz CSRPSNBNDBEFFH-ZWKOTPCHSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001690865348 1294890594 /nfs/dbraw/zinc/89/05/94/1294890594.db2.gz JXLXHIJDLYBMNJ-JQHSSLGASA-N 2 0 360.502 0.904 20 0 FCADRP CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001691515427 1294896000 /nfs/dbraw/zinc/89/60/00/1294896000.db2.gz ASIJUJRRJBQOKJ-SOUVJXGZSA-N 2 0 367.494 0.143 20 0 FCADRP C[NH+]1CCN(c2cccc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n2)CC1 ZINC001164415625 718885236 /nfs/dbraw/zinc/88/52/36/718885236.db2.gz MMBRNOBENAOTOT-UHFFFAOYSA-N 2 0 368.489 0.524 20 0 FCADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164734281 720555685 /nfs/dbraw/zinc/55/56/85/720555685.db2.gz YPSFYWWQNRSPCV-UHFFFAOYSA-N 2 0 353.474 0.977 20 0 FCADRP Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164739047 720628796 /nfs/dbraw/zinc/62/87/96/720628796.db2.gz DKKLSEDEHZKITB-HUUCEWRRSA-N 2 0 355.446 0.983 20 0 FCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164753458 720971090 /nfs/dbraw/zinc/97/10/90/720971090.db2.gz FZFAKKFEQVIQFG-UHFFFAOYSA-N 2 0 371.445 0.006 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C4C[NH2+]C4)ncn2)CC3)CC1 ZINC001164796152 721522736 /nfs/dbraw/zinc/52/27/36/721522736.db2.gz WOQXNHDIKLICST-UHFFFAOYSA-N 2 0 368.489 0.128 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930814 721852941 /nfs/dbraw/zinc/85/29/41/721852941.db2.gz SUQZLZRBNHQFAC-HUUCEWRRSA-N 2 0 350.898 0.990 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070258419 837639676 /nfs/dbraw/zinc/63/96/76/837639676.db2.gz UCNHIYCARLFEAL-XHSDSOJGSA-N 2 0 352.458 0.711 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326880 837646798 /nfs/dbraw/zinc/64/67/98/837646798.db2.gz HFRSPHYOEMJNTG-OAGGEKHMSA-N 2 0 360.487 0.833 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070367048 837650004 /nfs/dbraw/zinc/65/00/04/837650004.db2.gz BISVMTINDMXXJF-INMHGKMJSA-N 2 0 354.470 0.526 20 0 FCADRP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924376 837701535 /nfs/dbraw/zinc/70/15/35/837701535.db2.gz LHJLOIDNDSRJBM-XHSDSOJGSA-N 2 0 350.463 0.598 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001071061246 837721584 /nfs/dbraw/zinc/72/15/84/837721584.db2.gz UNLZVJCSDMLQKO-OIISXLGYSA-N 2 0 353.507 0.837 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071086118 837730053 /nfs/dbraw/zinc/73/00/53/837730053.db2.gz PZAJPGZJVRXESI-AEFFLSMTSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001071200833 837734979 /nfs/dbraw/zinc/73/49/79/837734979.db2.gz JCGLPJBDBOLFNA-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC1CC[NH+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC1 ZINC001071095954 837733041 /nfs/dbraw/zinc/73/30/41/837733041.db2.gz YXLQOUBIGSSTNV-MJGOQNOKSA-N 2 0 353.507 0.696 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(=O)N(C)C)C3)CC[N@@H+]1C ZINC001072755117 837743815 /nfs/dbraw/zinc/74/38/15/837743815.db2.gz UCGDNSARXKTXDR-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243638 844117319 /nfs/dbraw/zinc/11/73/19/844117319.db2.gz UUFJBEHEHFUDSP-NNFUDEMPSA-N 2 0 350.507 0.585 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(O)CCSCC1 ZINC000494479798 836082267 /nfs/dbraw/zinc/08/22/67/836082267.db2.gz OSUGHJGYSWRQCF-UHFFFAOYSA-N 2 0 364.515 0.968 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101342888 844151510 /nfs/dbraw/zinc/15/15/10/844151510.db2.gz SCHAYTVXHNEPFP-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001101351265 844155064 /nfs/dbraw/zinc/15/50/64/844155064.db2.gz AINOPUPLURTYCT-BEFAXECRSA-N 2 0 350.507 0.777 20 0 FCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353055 844156045 /nfs/dbraw/zinc/15/60/45/844156045.db2.gz QNPNZBOZZAXGJZ-MDZRGWNJSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101352554 844156382 /nfs/dbraw/zinc/15/63/82/844156382.db2.gz GGFMEUAPOGJWHM-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000751040687 836461390 /nfs/dbraw/zinc/46/13/90/836461390.db2.gz VXWJPAQTCKIJSQ-OAHLLOKOSA-N 2 0 355.552 0.487 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402460 844174892 /nfs/dbraw/zinc/17/48/92/844174892.db2.gz JZCLVZAGXDAXFU-LMMKCTJWSA-N 2 0 353.507 0.506 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C3CC[NH+](C)CC3)CCC2)CC[N@@H+]1C ZINC001063221796 836757541 /nfs/dbraw/zinc/75/75/41/836757541.db2.gz JTNYCFZPMYKMSW-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478435 844202553 /nfs/dbraw/zinc/20/25/53/844202553.db2.gz NTYYGIVBBLOLGG-JZXOWHBKSA-N 2 0 371.547 0.542 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065205453 836819724 /nfs/dbraw/zinc/81/97/24/836819724.db2.gz CUGMWYLSOICRSG-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065210145 836823236 /nfs/dbraw/zinc/82/32/36/836823236.db2.gz AYPHSCKJZDIIQV-OWCLPIDISA-N 2 0 354.495 0.010 20 0 FCADRP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815388 844277496 /nfs/dbraw/zinc/27/74/96/844277496.db2.gz DNNGOIRLCDGVEE-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001076254712 837975336 /nfs/dbraw/zinc/97/53/36/837975336.db2.gz LGSHQEGOMRATCV-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1)C1CC1 ZINC001101815770 844280116 /nfs/dbraw/zinc/28/01/16/844280116.db2.gz RUVXKEVEBSPRPE-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568165 838017550 /nfs/dbraw/zinc/01/75/50/838017550.db2.gz XQECHXCASCAWDT-YESZJQIVSA-N 2 0 369.531 0.296 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001077091001 838724514 /nfs/dbraw/zinc/72/45/14/838724514.db2.gz IRSFNEDRUVAGST-FGTMMUONSA-N 2 0 353.507 0.839 20 0 FCADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015536 844373828 /nfs/dbraw/zinc/37/38/28/844373828.db2.gz JQCBKWGHUWKICB-BZUAXINKSA-N 2 0 358.502 0.877 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102013326 844374089 /nfs/dbraw/zinc/37/40/89/844374089.db2.gz VORUFGXTYFDPOV-OAGGEKHMSA-N 2 0 354.474 0.642 20 0 FCADRP O=C(N[C@@H]1CN(CCOC2CCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440319 838967928 /nfs/dbraw/zinc/96/79/28/838967928.db2.gz JLHPVPPVCXCKII-KURKYZTESA-N 2 0 351.491 0.591 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001077505262 839004066 /nfs/dbraw/zinc/00/40/66/839004066.db2.gz XOAIRSAMUXKYTB-BHUNQDJPSA-N 2 0 353.507 0.837 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048583 844396779 /nfs/dbraw/zinc/39/67/79/844396779.db2.gz HJIGJGFBLZWXNW-KYJSFNMBSA-N 2 0 352.523 0.783 20 0 FCADRP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006321 839286990 /nfs/dbraw/zinc/28/69/90/839286990.db2.gz ZMEHNDNPHRMDJP-RBSFLKMASA-N 2 0 352.504 0.497 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012011 839291892 /nfs/dbraw/zinc/29/18/92/839291892.db2.gz QZUIJHGCBACOQO-ZIAGYGMSSA-N 2 0 350.488 0.251 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175059 839382952 /nfs/dbraw/zinc/38/29/52/839382952.db2.gz VMWBLVKMDYYGNA-DJIMGWMZSA-N 2 0 351.878 0.996 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259537 839502310 /nfs/dbraw/zinc/50/23/10/839502310.db2.gz FMSULEXAVIDAFT-YESZJQIVSA-N 2 0 351.491 0.260 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079681625 839573284 /nfs/dbraw/zinc/57/32/84/839573284.db2.gz UPSCKXOWNGBNCO-BRWVUGGUSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949065 839628899 /nfs/dbraw/zinc/62/88/99/839628899.db2.gz NGHXRBIBCXKRJC-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294033 844459940 /nfs/dbraw/zinc/45/99/40/844459940.db2.gz DXBXMJLVTGOIAK-NVXWUHKLSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312789 844464376 /nfs/dbraw/zinc/46/43/76/844464376.db2.gz NQLRECSNQDIIHP-RHSMWYFYSA-N 2 0 350.507 0.539 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312804 844464438 /nfs/dbraw/zinc/46/44/38/844464438.db2.gz ORHIEKFJQUWJSE-NVXWUHKLSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080700012 839779888 /nfs/dbraw/zinc/77/98/88/839779888.db2.gz HXLHQMCBTJZDJE-OIISXLGYSA-N 2 0 350.507 0.774 20 0 FCADRP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370135 844477559 /nfs/dbraw/zinc/47/75/59/844477559.db2.gz SAJHJNPVTHXJSM-GVDBMIGSSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102377326 844480807 /nfs/dbraw/zinc/48/08/07/844480807.db2.gz ZPAWQTJSWVTVRD-HZPDHXFCSA-N 2 0 350.511 0.940 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430533 844496938 /nfs/dbraw/zinc/49/69/38/844496938.db2.gz VMWYBTVOFKSYNH-KZNAEPCWSA-N 2 0 355.523 0.944 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102475584 844515838 /nfs/dbraw/zinc/51/58/38/844515838.db2.gz UXAACHNHHBFOFG-HZPDHXFCSA-N 2 0 355.527 0.720 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102497576 844531227 /nfs/dbraw/zinc/53/12/27/844531227.db2.gz ZFOLHXXLQUTILA-ZACQAIPSSA-N 2 0 359.511 0.036 20 0 FCADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082450105 840416877 /nfs/dbraw/zinc/41/68/77/840416877.db2.gz XJMSMQIFQAJUNH-YUELXQCFSA-N 2 0 352.504 0.749 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001082522318 840448089 /nfs/dbraw/zinc/44/80/89/840448089.db2.gz AGXQFFVOLUVIPV-QKPAOTATSA-N 2 0 351.495 0.178 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082557500 840463670 /nfs/dbraw/zinc/46/36/70/840463670.db2.gz JHLXSLRFKSMBAO-BZUAXINKSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082561607 840466221 /nfs/dbraw/zinc/46/62/21/840466221.db2.gz DZQVWALNKUHMTG-IIAWOOMASA-N 2 0 357.520 0.342 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514397 844546071 /nfs/dbraw/zinc/54/60/71/844546071.db2.gz WBCWPSZCZYTKCS-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513671 844544699 /nfs/dbraw/zinc/54/46/99/844544699.db2.gz WJFBHWXIFDNSCB-BZUAXINKSA-N 2 0 356.511 0.293 20 0 FCADRP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513890 844544984 /nfs/dbraw/zinc/54/49/84/844544984.db2.gz FKYWFKPAGLTNOS-IXDOHACOSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514473 844546493 /nfs/dbraw/zinc/54/64/93/844546493.db2.gz YNWKXMMPSCRYIX-HZPDHXFCSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082681868 840523101 /nfs/dbraw/zinc/52/31/01/840523101.db2.gz ZDWAPUYZIOROIC-OWCLPIDISA-N 2 0 350.507 0.918 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102525892 844553412 /nfs/dbraw/zinc/55/34/12/844553412.db2.gz ZWQHZVUTDYYHLR-HLLBOEOZSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082743880 840544747 /nfs/dbraw/zinc/54/47/47/840544747.db2.gz HHGRXNFSCBWMDJ-BZUAXINKSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082798327 840562756 /nfs/dbraw/zinc/56/27/56/840562756.db2.gz NRWQIOXYORMEDC-IUODEOHRSA-N 2 0 363.491 0.547 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102524437 844552257 /nfs/dbraw/zinc/55/22/57/844552257.db2.gz FIHPJKTWMRMNSG-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082919913 840602261 /nfs/dbraw/zinc/60/22/61/840602261.db2.gz KBSFMAIBGSZZJW-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001082923285 840603603 /nfs/dbraw/zinc/60/36/03/840603603.db2.gz BSRFILHOILUNRX-CKEIUWERSA-N 2 0 350.463 0.888 20 0 FCADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083148951 840752698 /nfs/dbraw/zinc/75/26/98/840752698.db2.gz PIYLSXGIRVHCFC-SYGRHNPNSA-N 2 0 353.438 0.121 20 0 FCADRP CCC(CC)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578003 844571321 /nfs/dbraw/zinc/57/13/21/844571321.db2.gz GYVVEMHDBRTGKT-OWCLPIDISA-N 2 0 352.523 0.927 20 0 FCADRP CCC(CC)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578002 844571936 /nfs/dbraw/zinc/57/19/36/844571936.db2.gz GYVVEMHDBRTGKT-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)CC1 ZINC001083182927 840780291 /nfs/dbraw/zinc/78/02/91/840780291.db2.gz DQUMYFRCLHGPKW-ZWKOTPCHSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083523238 841120825 /nfs/dbraw/zinc/12/08/25/841120825.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 2 0 351.491 0.591 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801919 861198603 /nfs/dbraw/zinc/19/86/03/861198603.db2.gz YAWUTTAPULLYTG-QGZVFWFLSA-N 2 0 352.523 0.319 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083833023 841477223 /nfs/dbraw/zinc/47/72/23/841477223.db2.gz FYUHURIQWVYAAW-KURKYZTESA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083908458 841555705 /nfs/dbraw/zinc/55/57/05/841555705.db2.gz FGNSHTLYRZVOJY-JQHSSLGASA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959307 841605105 /nfs/dbraw/zinc/60/51/05/841605105.db2.gz QNAZVANURSOSCZ-SJORKVTESA-N 2 0 351.491 0.450 20 0 FCADRP CC[C@H](NC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2)C(N)=O ZINC001275881273 861247446 /nfs/dbraw/zinc/24/74/46/861247446.db2.gz YRBTUSCSYVIOBR-OAGGEKHMSA-N 2 0 350.507 0.810 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001084745047 841906680 /nfs/dbraw/zinc/90/66/80/841906680.db2.gz FUFUEHYTTXSIFM-LZLYRXPVSA-N 2 0 351.491 0.666 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085422936 842099255 /nfs/dbraw/zinc/09/92/55/842099255.db2.gz OOVNICIVMRQACC-RRFJBIMHSA-N 2 0 350.463 0.104 20 0 FCADRP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001086370158 842128683 /nfs/dbraw/zinc/12/86/83/842128683.db2.gz TWFCFYIHJFVNDK-WRQOLXDDSA-N 2 0 350.507 0.820 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086695136 842153083 /nfs/dbraw/zinc/15/30/83/842153083.db2.gz COXKLRGVMTUMMA-BBWFWOEESA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001086700670 842153680 /nfs/dbraw/zinc/15/36/80/842153680.db2.gz FMODVCMLFBXXNE-VVLHAWIVSA-N 2 0 350.507 0.824 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087059831 842255956 /nfs/dbraw/zinc/25/59/56/842255956.db2.gz XFCJRBXVSRUPAA-IIAWOOMASA-N 2 0 367.519 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087061293 842258366 /nfs/dbraw/zinc/25/83/66/842258366.db2.gz ZFPCDCYLMHJURP-BMFZPTHFSA-N 2 0 353.467 0.609 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087083422 842276126 /nfs/dbraw/zinc/27/61/26/842276126.db2.gz DQAJFUGGGQLPJL-BFYDXBDKSA-N 2 0 350.463 0.970 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083596 842276205 /nfs/dbraw/zinc/27/62/05/842276205.db2.gz MJZABJWCHRYMSG-SQWLQELKSA-N 2 0 351.451 0.507 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087084884 842278673 /nfs/dbraw/zinc/27/86/73/842278673.db2.gz XZUCVOFNPSMJFR-QLFBSQMISA-N 2 0 352.483 0.406 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087100389 842288822 /nfs/dbraw/zinc/28/88/22/842288822.db2.gz QYJSGKGRTNFUQM-ZMSDIMECSA-N 2 0 350.463 0.888 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087828200 842441439 /nfs/dbraw/zinc/44/14/39/842441439.db2.gz DJYOAXIZLWCOEF-QLFBSQMISA-N 2 0 350.463 0.056 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088109433 842534826 /nfs/dbraw/zinc/53/48/26/842534826.db2.gz FHIYJDIJKBAPLH-IKGGRYGDSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088157715 842546874 /nfs/dbraw/zinc/54/68/74/842546874.db2.gz CVAWIJKIDCKOJQ-OIISXLGYSA-N 2 0 350.507 0.761 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCN1CCCC1=O ZINC001088981201 842733977 /nfs/dbraw/zinc/73/39/77/842733977.db2.gz HOTFYHJRPIPHTI-IKGGRYGDSA-N 2 0 350.507 0.920 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672256 843272094 /nfs/dbraw/zinc/27/20/94/843272094.db2.gz XDKOQHKGBWVSHR-IXDOHACOSA-N 2 0 352.523 0.737 20 0 FCADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721425 843284896 /nfs/dbraw/zinc/28/48/96/843284896.db2.gz MOTKZPFYLLYKPX-BZUAXINKSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736142 843290610 /nfs/dbraw/zinc/29/06/10/843290610.db2.gz MSPLQJJOQVNQON-BZUAXINKSA-N 2 0 351.495 0.180 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C2CC[NH+](C)CC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093461433 843438016 /nfs/dbraw/zinc/43/80/16/843438016.db2.gz ITPBSOBTQKPAJB-VXIBKDFQSA-N 2 0 353.507 0.287 20 0 FCADRP CC[NH+](CC)CCC(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001276326780 861418478 /nfs/dbraw/zinc/41/84/78/861418478.db2.gz WIZNCPUVQJBNIB-UHFFFAOYSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCC(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276326595 861418576 /nfs/dbraw/zinc/41/85/76/861418576.db2.gz UAXVINWWLSMQSY-MRXNPFEDSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094088570 843513410 /nfs/dbraw/zinc/51/34/10/843513410.db2.gz AKMJKNMSIBRVEQ-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094088571 843513832 /nfs/dbraw/zinc/51/38/32/843513832.db2.gz AKMJKNMSIBRVEQ-OIISXLGYSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094131252 843518946 /nfs/dbraw/zinc/51/89/46/843518946.db2.gz YLKPRIXJLYHLEB-BRWVUGGUSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099261106 843995167 /nfs/dbraw/zinc/99/51/67/843995167.db2.gz KOFBSNYZORARNL-MGPQQGTHSA-N 2 0 351.413 0.936 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083620 844697931 /nfs/dbraw/zinc/69/79/31/844697931.db2.gz AIGVVTBGRKWFFO-OAGGEKHMSA-N 2 0 350.507 0.824 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086687 844698643 /nfs/dbraw/zinc/69/86/43/844698643.db2.gz MYJHJKFTUOIWQV-KYJSFNMBSA-N 2 0 352.523 0.879 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090243 844699001 /nfs/dbraw/zinc/69/90/01/844699001.db2.gz OTMPRXRLHGMRDQ-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185545 844718881 /nfs/dbraw/zinc/71/88/81/844718881.db2.gz CHJJZPSEJQEBEU-BZUAXINKSA-N 2 0 350.507 0.953 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375027 844744318 /nfs/dbraw/zinc/74/43/18/844744318.db2.gz VVTJTPHMGLOEGM-OAGGEKHMSA-N 2 0 350.507 0.633 20 0 FCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395605 844751365 /nfs/dbraw/zinc/75/13/65/844751365.db2.gz BWWNGKRRWJDQDL-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H](COCC(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001103448380 844759988 /nfs/dbraw/zinc/75/99/88/844759988.db2.gz JKSAHMXLMXYFNR-FGTMMUONSA-N 2 0 355.523 0.944 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497459 844768740 /nfs/dbraw/zinc/76/87/40/844768740.db2.gz HJCOPZXEEJTICW-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103662643 844796192 /nfs/dbraw/zinc/79/61/92/844796192.db2.gz IBVSOQVAZXCSJC-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655112 844796526 /nfs/dbraw/zinc/79/65/26/844796526.db2.gz POQQXNWIZFHMID-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103664440 844798108 /nfs/dbraw/zinc/79/81/08/844798108.db2.gz BVJSVNZYFLATCN-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718752 844807569 /nfs/dbraw/zinc/80/75/69/844807569.db2.gz DDTBEBMOMXTMBF-BZUAXINKSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723429 844807823 /nfs/dbraw/zinc/80/78/23/844807823.db2.gz JKEWGNYDRWLRDI-IAGOWNOFSA-N 2 0 350.507 0.779 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751621 844814822 /nfs/dbraw/zinc/81/48/22/844814822.db2.gz JGTVDPPYKQLLIM-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629928 861505521 /nfs/dbraw/zinc/50/55/21/861505521.db2.gz FJFRDGYZHYONBP-APWZRJJASA-N 2 0 350.507 0.668 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629943 861505719 /nfs/dbraw/zinc/50/57/19/861505719.db2.gz GSJCAEDGFWJISD-IBGZPJMESA-N 3 0 351.539 0.252 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104290568 844891538 /nfs/dbraw/zinc/89/15/38/844891538.db2.gz CPKGJRMFDUARKY-INMHGKMJSA-N 2 0 350.507 0.953 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104594703 844923344 /nfs/dbraw/zinc/92/33/44/844923344.db2.gz FARCHSHLQIFOIP-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104595778 844924196 /nfs/dbraw/zinc/92/41/96/844924196.db2.gz ZGJOBDDYNJQOSW-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC(F)(F)F ZINC001104621147 844926691 /nfs/dbraw/zinc/92/66/91/844926691.db2.gz AAPQPMNBGBEDEX-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1)[NH+](C)C ZINC001104639329 844928130 /nfs/dbraw/zinc/92/81/30/844928130.db2.gz OMOKIRXVNLYGPD-BFYDXBDKSA-N 2 0 350.511 0.976 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001104694510 844933732 /nfs/dbraw/zinc/93/37/32/844933732.db2.gz VLVXKOJOBJHQJY-BZUAXINKSA-N 2 0 354.495 0.047 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001104809189 844946320 /nfs/dbraw/zinc/94/63/20/844946320.db2.gz AHVPRZUVNDVCGZ-RBSFLKMASA-N 2 0 351.499 0.687 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104874402 844953662 /nfs/dbraw/zinc/95/36/62/844953662.db2.gz SUAKOGMVPBFWQA-HZPDHXFCSA-N 2 0 361.552 0.837 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104938313 844961590 /nfs/dbraw/zinc/96/15/90/844961590.db2.gz SWTBIVLLJBVERN-HZPDHXFCSA-N 2 0 353.511 0.428 20 0 FCADRP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007657 844968095 /nfs/dbraw/zinc/96/80/95/844968095.db2.gz DBQQCGWQVSMYSN-ZACQAIPSSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001105014152 844968851 /nfs/dbraw/zinc/96/88/51/844968851.db2.gz FGJKLLJPRXKRDW-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001105058492 844975338 /nfs/dbraw/zinc/97/53/38/844975338.db2.gz IOSWRERIWRWTJF-QZTJIDSGSA-N 2 0 355.523 0.946 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001105064243 844976728 /nfs/dbraw/zinc/97/67/28/844976728.db2.gz FOTPGZHJYAJMIL-RBSFLKMASA-N 2 0 352.479 0.206 20 0 FCADRP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942089 845064041 /nfs/dbraw/zinc/06/40/41/845064041.db2.gz XTGOOZMXMNKQJL-OAGGEKHMSA-N 2 0 359.536 0.590 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106138833 845112160 /nfs/dbraw/zinc/11/21/60/845112160.db2.gz FTINKTOPSPVBOG-OIISXLGYSA-N 2 0 350.507 0.491 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142883 845113346 /nfs/dbraw/zinc/11/33/46/845113346.db2.gz BMXUPKSQQPDHSP-KBAYOESNSA-N 2 0 353.507 0.675 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198636 845129672 /nfs/dbraw/zinc/12/96/72/845129672.db2.gz IEUBISHNHYYCOI-OAGGEKHMSA-N 2 0 358.502 0.829 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C[NH2+]CCCO ZINC001106246727 845143062 /nfs/dbraw/zinc/14/30/62/845143062.db2.gz QBTTWOJGMOTFCM-NUJGCVRESA-N 2 0 353.507 0.696 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106249665 845143110 /nfs/dbraw/zinc/14/31/10/845143110.db2.gz MQUKHYUDOBUKQD-FVQBIDKESA-N 2 0 359.536 0.445 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1)[NH+](C)C ZINC001106313307 845153283 /nfs/dbraw/zinc/15/32/83/845153283.db2.gz WKMZFGXADJTEJY-JHJVBQTASA-N 2 0 368.507 0.501 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106322651 845154080 /nfs/dbraw/zinc/15/40/80/845154080.db2.gz PIFIXHBVCFRCET-OAGGEKHMSA-N 2 0 351.495 0.180 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106357533 845163241 /nfs/dbraw/zinc/16/32/41/845163241.db2.gz CMQPPRZZIGYNLR-BRWVUGGUSA-N 2 0 352.523 0.879 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357525 845163328 /nfs/dbraw/zinc/16/33/28/845163328.db2.gz CDKVGYUYHPAESS-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106471599 845178801 /nfs/dbraw/zinc/17/88/01/845178801.db2.gz BMMDXLYCQCKYGY-DJIMGWMZSA-N 2 0 371.547 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106516568 845188099 /nfs/dbraw/zinc/18/80/99/845188099.db2.gz MTBKOMGILNZPGW-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106516148 845188329 /nfs/dbraw/zinc/18/83/29/845188329.db2.gz GHCMFCKBCDWZJC-HUUCEWRRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001106592362 845201694 /nfs/dbraw/zinc/20/16/94/845201694.db2.gz PLNHSNXCFDANMC-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106621440 845207543 /nfs/dbraw/zinc/20/75/43/845207543.db2.gz LDFNNPASBNPECX-GDBMZVCRSA-N 2 0 351.495 0.038 20 0 FCADRP CC(C)S(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106628658 845209286 /nfs/dbraw/zinc/20/92/86/845209286.db2.gz QUEOLDULUJDPDL-HZPDHXFCSA-N 2 0 361.552 0.836 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001106672850 845221288 /nfs/dbraw/zinc/22/12/88/845221288.db2.gz MCELCQFBSMFMHD-OAGGEKHMSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)CC1 ZINC001106825258 845263318 /nfs/dbraw/zinc/26/33/18/845263318.db2.gz ILGXTQSYSOPCCN-NVXWUHKLSA-N 2 0 352.523 0.879 20 0 FCADRP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874574 845276537 /nfs/dbraw/zinc/27/65/37/845276537.db2.gz LIWBMQODUDPQQZ-IXDOHACOSA-N 2 0 352.523 0.881 20 0 FCADRP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1C ZINC001106878365 845277084 /nfs/dbraw/zinc/27/70/84/845277084.db2.gz NNVVJBNYWPNKCV-GDBMZVCRSA-N 2 0 351.495 0.491 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882102 845278210 /nfs/dbraw/zinc/27/82/10/845278210.db2.gz PVJRHKQPBQYPJJ-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]CCOCCO ZINC001106885021 845278631 /nfs/dbraw/zinc/27/86/31/845278631.db2.gz OZPFCYTYJYENFH-HUUCEWRRSA-N 2 0 350.463 0.454 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106910505 845284888 /nfs/dbraw/zinc/28/48/88/845284888.db2.gz ATVKKYFCQZHIRR-IXDOHACOSA-N 2 0 352.523 0.929 20 0 FCADRP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984089 845301195 /nfs/dbraw/zinc/30/11/95/845301195.db2.gz XTUVPLRFSHHXLP-GDBMZVCRSA-N 2 0 366.531 0.998 20 0 FCADRP COC(C)(C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001276727403 861557832 /nfs/dbraw/zinc/55/78/32/861557832.db2.gz DKQLGBCUIRCCQL-GOSISDBHSA-N 2 0 350.463 0.859 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629370 845411619 /nfs/dbraw/zinc/41/16/19/845411619.db2.gz BTSMVIAJRRVWAV-LZLYRXPVSA-N 2 0 371.547 0.734 20 0 FCADRP CN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)C1 ZINC001109113564 845573100 /nfs/dbraw/zinc/57/31/00/845573100.db2.gz QNEUMMCSDSAGRN-OWSLCNJRSA-N 2 0 351.491 0.855 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485377 845672098 /nfs/dbraw/zinc/67/20/98/845672098.db2.gz YJXJWSBKUQFARB-IKGGRYGDSA-N 2 0 351.491 0.999 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109798233 845737866 /nfs/dbraw/zinc/73/78/66/845737866.db2.gz AVZRMDJYRYKGFH-OWSLCNJRSA-N 2 0 353.507 0.980 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159795 845809309 /nfs/dbraw/zinc/80/93/09/845809309.db2.gz WZUHUZRQUTVVAA-NCOADZHNSA-N 2 0 357.495 0.072 20 0 FCADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001276795117 861612066 /nfs/dbraw/zinc/61/20/66/861612066.db2.gz FOLXSAQOBRIFCE-QAPCUYQASA-N 2 0 350.463 0.848 20 0 FCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569450 845920429 /nfs/dbraw/zinc/92/04/29/845920429.db2.gz OBPNYAMRDCCUGG-XDNAFOTISA-N 2 0 351.491 0.713 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001111234247 846065636 /nfs/dbraw/zinc/06/56/36/846065636.db2.gz DPVPZTOPTBNZFL-OAGGEKHMSA-N 2 0 374.551 0.331 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466475 846117390 /nfs/dbraw/zinc/11/73/90/846117390.db2.gz WZUHUZRQUTVVAA-TWMKSMIVSA-N 2 0 357.495 0.072 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111467354 846118389 /nfs/dbraw/zinc/11/83/89/846118389.db2.gz GQNGUYKNJFSUKP-BDXSIMOUSA-N 2 0 353.507 0.837 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466476 846118574 /nfs/dbraw/zinc/11/85/74/846118574.db2.gz WZUHUZRQUTVVAA-VQHPVUNQSA-N 2 0 357.495 0.072 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001111466495 846118671 /nfs/dbraw/zinc/11/86/71/846118671.db2.gz XMOFWMKUQMINFP-HZMVEIRTSA-N 2 0 350.507 0.964 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276829916 861642840 /nfs/dbraw/zinc/64/28/40/861642840.db2.gz YTKMKQLITYBMPX-LSDHHAIUSA-N 2 0 355.479 0.080 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778941 846202141 /nfs/dbraw/zinc/20/21/41/846202141.db2.gz PTBWURVTWYDAGJ-VCBZYWHSSA-N 2 0 350.507 0.918 20 0 FCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2)[NH+](C)C ZINC001111788934 846206434 /nfs/dbraw/zinc/20/64/34/846206434.db2.gz PXQNBZMQVXGPHL-FCEWJHQRSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276848394 861652652 /nfs/dbraw/zinc/65/26/52/861652652.db2.gz BHQLNSXWCURWFA-LJQANCHMSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111857945 846233768 /nfs/dbraw/zinc/23/37/68/846233768.db2.gz GSKGKLQOIZIOMA-BQFCYCMXSA-N 2 0 371.547 0.734 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111858211 846233791 /nfs/dbraw/zinc/23/37/91/846233791.db2.gz UFTMRDZXMFCJLP-LPHOPBHVSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111910321 846257259 /nfs/dbraw/zinc/25/72/59/846257259.db2.gz UEVWQDWBXILAPS-DEYYWGMASA-N 2 0 350.463 0.104 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCC(F)F)C2 ZINC001111939647 846269202 /nfs/dbraw/zinc/26/92/02/846269202.db2.gz KVDLLAPSAXLUHG-YOEHRIQHSA-N 2 0 363.449 0.817 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001111947476 846271717 /nfs/dbraw/zinc/27/17/17/846271717.db2.gz KXMRTGIFSBRHCN-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP CCOCC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276874699 861663706 /nfs/dbraw/zinc/66/37/06/861663706.db2.gz OLNOGRYNUKMUJS-LJQANCHMSA-N 2 0 352.523 0.585 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116211 846395079 /nfs/dbraw/zinc/39/50/79/846395079.db2.gz QPEBQNUODLYAAS-BFHYXJOUSA-N 2 0 367.412 0.457 20 0 FCADRP CCOC(=O)CCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276888346 861672389 /nfs/dbraw/zinc/67/23/89/861672389.db2.gz ABPJQMRJCAAQAU-GOSISDBHSA-N 2 0 355.479 0.585 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001112120090 846398368 /nfs/dbraw/zinc/39/83/68/846398368.db2.gz CGAHMZMXMQGVHH-UMSGYPCISA-N 2 0 355.401 0.313 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112156017 846423537 /nfs/dbraw/zinc/42/35/37/846423537.db2.gz VGPIXZIXYTXNAJ-GRYCIOLGSA-N 2 0 352.401 0.571 20 0 FCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212197 846469045 /nfs/dbraw/zinc/46/90/45/846469045.db2.gz RXJOOHKYEPXYNM-ZIAGYGMSSA-N 2 0 369.428 0.969 20 0 FCADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401683 846500672 /nfs/dbraw/zinc/50/06/72/846500672.db2.gz SDZWGNWRBUPISE-WDYCEAGBSA-N 2 0 353.507 0.696 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112396843 846500808 /nfs/dbraw/zinc/50/08/08/846500808.db2.gz GYUQPEQDOVLOSS-BXWFABGCSA-N 2 0 350.507 0.953 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112510945 846511687 /nfs/dbraw/zinc/51/16/87/846511687.db2.gz LXLMOTQZQIIGNT-DWRORGKVSA-N 2 0 353.507 0.696 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518718 846512462 /nfs/dbraw/zinc/51/24/62/846512462.db2.gz YXQJNFJYDWCZFZ-BXWFABGCSA-N 2 0 353.507 0.554 20 0 FCADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518480 846512721 /nfs/dbraw/zinc/51/27/21/846512721.db2.gz LSGNQIMAVZSBNI-KXBFYZLASA-N 2 0 350.507 0.683 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1 ZINC001112522705 846513975 /nfs/dbraw/zinc/51/39/75/846513975.db2.gz KTAGJVLQHSUVNY-RDJZCZTQSA-N 2 0 359.536 0.591 20 0 FCADRP CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)C1=O ZINC001112523543 846514383 /nfs/dbraw/zinc/51/43/83/846514383.db2.gz ZQJMQXQUQCRWKY-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112548787 846521212 /nfs/dbraw/zinc/52/12/12/846521212.db2.gz RNVURADCHGONLK-RDJZCZTQSA-N 2 0 359.536 0.591 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112567290 846526081 /nfs/dbraw/zinc/52/60/81/846526081.db2.gz HFQDVDBCTVOYFQ-RDJZCZTQSA-N 2 0 359.536 0.591 20 0 FCADRP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276974722 861719951 /nfs/dbraw/zinc/71/99/51/861719951.db2.gz ZBUJNNMVTROREW-RCCFBDPRSA-N 2 0 352.523 0.318 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117091420 846883941 /nfs/dbraw/zinc/88/39/41/846883941.db2.gz FPKIPWAODOQKKJ-HOTGVXAUSA-N 2 0 354.495 0.202 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC001117477929 847038852 /nfs/dbraw/zinc/03/88/52/847038852.db2.gz SXBZKAHZGOSCNM-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC001117847294 847183399 /nfs/dbraw/zinc/18/33/99/847183399.db2.gz PGLUJTZOIQQMDR-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001118175874 847310896 /nfs/dbraw/zinc/31/08/96/847310896.db2.gz DXINFRYIDZGUBD-QGZVFWFLSA-N 2 0 366.531 0.934 20 0 FCADRP NC(=O)c1cn(CCCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)nn1 ZINC001118387435 847409246 /nfs/dbraw/zinc/40/92/46/847409246.db2.gz QWDZKCADBMIUQP-OAHLLOKOSA-N 2 0 350.467 0.390 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118631656 847507484 /nfs/dbraw/zinc/50/74/84/847507484.db2.gz XJSSTEYTYWEAJV-WBVHZDCISA-N 2 0 353.511 0.175 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC001119412346 847836022 /nfs/dbraw/zinc/83/60/22/847836022.db2.gz UKRFSRHESZZXFS-BZUAXINKSA-N 2 0 354.495 0.189 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001120507165 848226064 /nfs/dbraw/zinc/22/60/64/848226064.db2.gz HQSIYRVAPXVJIG-SFHVURJKSA-N 2 0 351.495 0.467 20 0 FCADRP Cc1nc(F)ccc1CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277474890 861894464 /nfs/dbraw/zinc/89/44/64/861894464.db2.gz SDQHHBCNLJAGIQ-GOSISDBHSA-N 2 0 350.438 0.894 20 0 FCADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)C1 ZINC001121910016 848413405 /nfs/dbraw/zinc/41/34/05/848413405.db2.gz GHYUGWYGLDVJFZ-LLVKDONJSA-N 2 0 357.252 0.394 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001121925747 848418592 /nfs/dbraw/zinc/41/85/92/848418592.db2.gz DUHZMPNLGMAWCF-GOSISDBHSA-N 2 0 352.479 0.891 20 0 FCADRP [NH3+]C[C@H](O)CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001121928630 848419846 /nfs/dbraw/zinc/41/98/46/848419846.db2.gz SIYIPUNNUYEAPA-MRXNPFEDSA-N 2 0 354.882 0.678 20 0 FCADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[NH2+]CCN1C ZINC001121945358 848422554 /nfs/dbraw/zinc/42/25/54/848422554.db2.gz IVLBNQKNPVHPOP-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993644 848431269 /nfs/dbraw/zinc/43/12/69/848431269.db2.gz WYTPNWSFCSCYGI-QCEMKRCNSA-N 2 0 351.495 0.497 20 0 FCADRP Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127644291 848730279 /nfs/dbraw/zinc/73/02/79/848730279.db2.gz YOFLSTRDNSIMJT-GDBMZVCRSA-N 2 0 350.463 0.592 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC001127660332 848731474 /nfs/dbraw/zinc/73/14/74/848731474.db2.gz WGMCMJRNGQLCGR-UKRRQHHQSA-N 2 0 352.504 0.753 20 0 FCADRP Cc1csc2nc(C[NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc(=O)n12 ZINC001127691059 848732222 /nfs/dbraw/zinc/73/22/22/848732222.db2.gz ZSLHESRBRHNWKJ-TZMCWYRMSA-N 2 0 363.487 0.610 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127701693 848732961 /nfs/dbraw/zinc/73/29/61/848732961.db2.gz WBTGHJBCNPYXPL-QWHCGFSZSA-N 2 0 355.483 0.047 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129370743 848835444 /nfs/dbraw/zinc/83/54/44/848835444.db2.gz ZYONNMRLGNVOPM-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837566 848902056 /nfs/dbraw/zinc/90/20/56/848902056.db2.gz FQYZBCQOJIYMHN-OAGGEKHMSA-N 2 0 350.467 0.139 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001129879174 848906676 /nfs/dbraw/zinc/90/66/76/848906676.db2.gz VVOTZJQXDFJRST-OAGGEKHMSA-N 2 0 354.474 0.956 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894628 848910118 /nfs/dbraw/zinc/91/01/18/848910118.db2.gz LRPUTWUGTRWJLK-CABCVRRESA-N 2 0 350.467 0.140 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)CC1 ZINC001129991911 848926547 /nfs/dbraw/zinc/92/65/47/848926547.db2.gz CDXLBFXZVGAOQV-RNWDPLESSA-N 2 0 352.870 0.714 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983178 848926727 /nfs/dbraw/zinc/92/67/27/848926727.db2.gz QJICUPMDDCCETL-CVEARBPZSA-N 2 0 352.483 0.388 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129994632 848927766 /nfs/dbraw/zinc/92/77/66/848927766.db2.gz YUNRVCHCGGQDSG-IXSFSPNOSA-N 2 0 354.886 0.958 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130011939 848930595 /nfs/dbraw/zinc/93/05/95/848930595.db2.gz GEZBPKSZRFBMNX-MBUOFHJJSA-N 2 0 352.870 0.856 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130009566 848930766 /nfs/dbraw/zinc/93/07/66/848930766.db2.gz WDHPSPIZPBYCKH-PMPSAXMXSA-N 2 0 352.483 0.385 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130047889 848936141 /nfs/dbraw/zinc/93/61/41/848936141.db2.gz YHRBLLULONKMFZ-OAGGEKHMSA-N 2 0 352.483 0.122 20 0 FCADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085914 848942473 /nfs/dbraw/zinc/94/24/73/848942473.db2.gz DCOKAKDZHFJGNP-CVEARBPZSA-N 2 0 352.483 0.244 20 0 FCADRP O=C(N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001130105051 848945344 /nfs/dbraw/zinc/94/53/44/848945344.db2.gz IGVGEQPUPKOWOZ-VYDXJSESSA-N 2 0 350.442 0.465 20 0 FCADRP C[NH+](C)CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130232168 848981735 /nfs/dbraw/zinc/98/17/35/848981735.db2.gz BBXSNVJPXABPKF-STQMWFEESA-N 2 0 356.446 0.194 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249051 848987398 /nfs/dbraw/zinc/98/73/98/848987398.db2.gz HOMHLVMVSIBHFV-IHRRRGAJSA-N 2 0 350.467 0.245 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cncs2)c1 ZINC001130670051 849025155 /nfs/dbraw/zinc/02/51/55/849025155.db2.gz OUGJDHWSMRUIAP-GOEBONIOSA-N 2 0 362.503 0.913 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130715460 849029003 /nfs/dbraw/zinc/02/90/03/849029003.db2.gz ZTUSIKPMYDTNAY-YQQAZPJKSA-N 2 0 351.495 0.417 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130817448 849048555 /nfs/dbraw/zinc/04/85/55/849048555.db2.gz OHHDCVYOQSRUSQ-FRRDWIJNSA-N 2 0 354.430 0.152 20 0 FCADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131060210 849076014 /nfs/dbraw/zinc/07/60/14/849076014.db2.gz ZOLWLDNSTJGNMX-BZUAXINKSA-N 2 0 351.495 0.681 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)[NH+](C)C ZINC001131515387 849116482 /nfs/dbraw/zinc/11/64/82/849116482.db2.gz HNXMMNDPPQAXRB-SQNIBIBYSA-N 2 0 355.523 0.941 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131519112 849117326 /nfs/dbraw/zinc/11/73/26/849117326.db2.gz FXYZHJVJDBCQIB-SQNIBIBYSA-N 2 0 353.507 0.839 20 0 FCADRP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001131592958 849128697 /nfs/dbraw/zinc/12/86/97/849128697.db2.gz FBOIQUGWIGUDHO-SUMDDJOVSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H](O)C(F)(F)F)C2 ZINC001277694501 862002011 /nfs/dbraw/zinc/00/20/11/862002011.db2.gz JZMJSZUGQIIHQO-JSGCOSHPSA-N 2 0 353.385 0.022 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cnc(N)s1)CC2 ZINC001139226758 849331683 /nfs/dbraw/zinc/33/16/83/849331683.db2.gz HVDPXRWIFYIKDD-UHFFFAOYSA-N 2 0 366.535 0.396 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCOCC3CC3)CCCO2)CC[N@@H+]1C ZINC001149733806 849645028 /nfs/dbraw/zinc/64/50/28/849645028.db2.gz NMTJENJGBRTYEQ-BPQIPLTHSA-N 2 0 353.507 0.960 20 0 FCADRP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN([C@@H](C)C(N)=O)CC1 ZINC001151138017 849679357 /nfs/dbraw/zinc/67/93/57/849679357.db2.gz QDDUUWUTZZOIQK-QLFBSQMISA-N 2 0 354.495 0.188 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncc(C(N)=O)cc2Cl)C[C@H]1C[NH+](C)C ZINC001151536758 849689890 /nfs/dbraw/zinc/68/98/90/849689890.db2.gz ZILJYDCGJQTHJN-CHWSQXEVSA-N 2 0 367.881 0.645 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001157303409 849961129 /nfs/dbraw/zinc/96/11/29/849961129.db2.gz GZHSUUZPRDYJJW-GJZGRUSLSA-N 2 0 353.467 0.496 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC001157344792 849966252 /nfs/dbraw/zinc/96/62/52/849966252.db2.gz XWQJLXSYZTXHIH-GJZGRUSLSA-N 2 0 354.882 0.830 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)C(=O)N1CCCC1 ZINC001157370882 849967049 /nfs/dbraw/zinc/96/70/49/849967049.db2.gz JTIULXAMHSCJLA-QKPAOTATSA-N 2 0 352.479 0.132 20 0 FCADRP CCCCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778926 862075970 /nfs/dbraw/zinc/07/59/70/862075970.db2.gz VEQNWNGJKMOZDO-SJLPKXTDSA-N 2 0 357.495 0.029 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626596 849985538 /nfs/dbraw/zinc/98/55/38/849985538.db2.gz HMEYAXNFNNTAAX-OKZBNKHCSA-N 2 0 350.507 0.287 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157715842 849987561 /nfs/dbraw/zinc/98/75/61/849987561.db2.gz JGDMCFGGINFHMR-JYJNAYRXSA-N 2 0 356.511 0.338 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001157716667 849988889 /nfs/dbraw/zinc/98/88/89/849988889.db2.gz QMXQZRSMKDQJQY-OWCLPIDISA-N 2 0 352.504 0.659 20 0 FCADRP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157856999 850000658 /nfs/dbraw/zinc/00/06/58/850000658.db2.gz YTZZOEWEQPXBPD-FZKCQIBNSA-N 2 0 354.495 0.053 20 0 FCADRP CC(C)S(=O)(=O)N(c1ccc(N2CC[NH2+]CC2)nn1)[C@H]1CCC[NH2+]C1 ZINC001157990413 850010366 /nfs/dbraw/zinc/01/03/66/850010366.db2.gz RYPRQUHPIMJJRC-AWEZNQCLSA-N 2 0 368.507 0.183 20 0 FCADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102209 850017808 /nfs/dbraw/zinc/01/78/08/850017808.db2.gz PFMRQLOVTBJWQH-WMLDXEAASA-N 2 0 350.850 0.161 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215441 850026404 /nfs/dbraw/zinc/02/64/04/850026404.db2.gz NCOZBGQWLWBHJC-XDQVBPFNSA-N 2 0 374.576 0.268 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C2 ZINC001158380128 850041131 /nfs/dbraw/zinc/04/11/31/850041131.db2.gz COTSWTAGJTUIEL-HKCMKHECSA-N 2 0 363.380 0.657 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001158379608 850041211 /nfs/dbraw/zinc/04/12/11/850041211.db2.gz DSNPVYZZAYAHOQ-ZIAGYGMSSA-N 2 0 351.499 0.407 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC001158380192 850042451 /nfs/dbraw/zinc/04/24/51/850042451.db2.gz DLYZXFLTMQKKJK-XWKQNIGYSA-N 2 0 361.364 0.280 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC001158380190 850042595 /nfs/dbraw/zinc/04/25/95/850042595.db2.gz DLYZXFLTMQKKJK-HFLGISGGSA-N 2 0 361.364 0.280 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](C[NH3+])C(C)C)C2 ZINC001158383478 850043726 /nfs/dbraw/zinc/04/37/26/850043726.db2.gz NKZCADDRPMYMJL-CQDKDKBSSA-N 2 0 365.396 0.761 20 0 FCADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C(C)(C)[NH2+]C)C2 ZINC001158384373 850044665 /nfs/dbraw/zinc/04/46/65/850044665.db2.gz VTSFSQOAOKONRZ-UONOGXRCSA-N 2 0 351.369 0.528 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC)CC[N@@H+]1C ZINC001158411334 850048002 /nfs/dbraw/zinc/04/80/02/850048002.db2.gz CRIVEKLLKXEEHS-HRCADAONSA-N 2 0 356.511 0.354 20 0 FCADRP CC(C)(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160860 850098391 /nfs/dbraw/zinc/09/83/91/850098391.db2.gz UESZIDWAPKXKPG-KGLIPLIRSA-N 3 0 358.552 0.544 20 0 FCADRP Nc1ncn(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159396808 850111104 /nfs/dbraw/zinc/11/11/04/850111104.db2.gz OJEDDMLQSRLWSI-NRWUCQMLSA-N 2 0 364.881 0.355 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159593241 850122336 /nfs/dbraw/zinc/12/23/36/850122336.db2.gz AMQKHQNGPIXKDZ-ARFHVFGLSA-N 2 0 362.499 0.802 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667478 850128286 /nfs/dbraw/zinc/12/82/86/850128286.db2.gz UNWWJXBVSNKQNM-ILXRZTDVSA-N 2 0 354.401 0.866 20 0 FCADRP O=C(N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159746361 850133826 /nfs/dbraw/zinc/13/38/26/850133826.db2.gz MWMUHAAEACVMMS-MJXUCMMTSA-N 2 0 360.483 0.653 20 0 FCADRP Cc1ccc(N2C[C@@]3(CCN(C(=O)C[NH2+]CCC[NH3+])C3)CC2=O)s1 ZINC001160094904 850153100 /nfs/dbraw/zinc/15/31/00/850153100.db2.gz RDDMQIJAZWBNLL-KRWDZBQOSA-N 2 0 350.488 0.950 20 0 FCADRP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001160325413 850166318 /nfs/dbraw/zinc/16/63/18/850166318.db2.gz JPYPTENMDVRAFA-KBPBESRZSA-N 2 0 350.467 0.289 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001160390503 850169874 /nfs/dbraw/zinc/16/98/74/850169874.db2.gz BWGPGYVKUKPTFR-CABCVRRESA-N 2 0 354.470 0.479 20 0 FCADRP CCOC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1=O ZINC001160427677 850172335 /nfs/dbraw/zinc/17/23/35/850172335.db2.gz LVNYFUISTYGOBP-ZIAGYGMSSA-N 2 0 351.447 0.231 20 0 FCADRP CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160476678 850175443 /nfs/dbraw/zinc/17/54/43/850175443.db2.gz KHVVKSDXISWROX-DZGCQCFKSA-N 2 0 354.495 0.317 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC001160514197 850177677 /nfs/dbraw/zinc/17/76/77/850177677.db2.gz PSILRUCRYSSSDE-OAHLLOKOSA-N 2 0 350.488 0.313 20 0 FCADRP [NH3+][C@@H](C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611190 850185211 /nfs/dbraw/zinc/18/52/11/850185211.db2.gz SFRIPMQNYISADH-HZPDHXFCSA-N 2 0 351.472 0.388 20 0 FCADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160746473 850196542 /nfs/dbraw/zinc/19/65/42/850196542.db2.gz JTIOJYSSARZIOO-HUUCEWRRSA-N 2 0 352.479 0.004 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)C[C@H]1C[NH2+]CC2 ZINC001160811401 850200619 /nfs/dbraw/zinc/20/06/19/850200619.db2.gz PEMNHVDANBBYBH-RTWAVKEYSA-N 2 0 363.380 0.386 20 0 FCADRP COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160947361 850214800 /nfs/dbraw/zinc/21/48/00/850214800.db2.gz GJZUJISXKHFJNK-ZFWWWQNUSA-N 2 0 353.488 0.986 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CC(F)(F)C1 ZINC001160967198 850215159 /nfs/dbraw/zinc/21/51/59/850215159.db2.gz KNGXJWCUVPRZLY-QAGHZCBJSA-N 2 0 350.369 0.291 20 0 FCADRP CSc1nc(Cl)cc(N2CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001161054006 850225323 /nfs/dbraw/zinc/22/53/23/850225323.db2.gz HDMBCIZDKSIGEM-NSHDSACASA-N 2 0 372.926 0.957 20 0 FCADRP C[NH+]1CCC(Oc2ccnc(NCCN(CC[NH3+])N(O)N=O)c2)CC1 ZINC001161095748 850230747 /nfs/dbraw/zinc/23/07/47/850230747.db2.gz HUEFVOUGVIUICR-UHFFFAOYSA-N 2 0 353.427 0.515 20 0 FCADRP O=C([C@@H]1C[NH2+]CCN1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152170 850234444 /nfs/dbraw/zinc/23/44/44/850234444.db2.gz AEEIIEFYFFHYCU-NSHDSACASA-N 2 0 358.368 0.142 20 0 FCADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)Cc2nnc(C(F)(F)F)n21 ZINC001161145590 850234587 /nfs/dbraw/zinc/23/45/87/850234587.db2.gz GBPSMUROCGETEW-IMSIIYSGSA-N 2 0 358.368 0.399 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239350 850242886 /nfs/dbraw/zinc/24/28/86/850242886.db2.gz ZMVMDLHETWABDA-HUUCEWRRSA-N 2 0 350.850 0.666 20 0 FCADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269780 850245942 /nfs/dbraw/zinc/24/59/42/850245942.db2.gz LUWZWMFDYNRJJR-INIZCTEOSA-N 2 0 374.551 0.462 20 0 FCADRP CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001161338332 850253608 /nfs/dbraw/zinc/25/36/08/850253608.db2.gz DWCBBYZXRBBURU-NEPJUHHUSA-N 2 0 352.401 0.763 20 0 FCADRP CS(=O)(=O)c1cccc(C2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001161366817 850254709 /nfs/dbraw/zinc/25/47/09/850254709.db2.gz AZCNBZREACNGNL-INIZCTEOSA-N 2 0 353.488 0.862 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161457324 850261372 /nfs/dbraw/zinc/26/13/72/850261372.db2.gz RUKZFDBGUYBKPB-INIZCTEOSA-N 2 0 362.499 0.483 20 0 FCADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161488052 850263917 /nfs/dbraw/zinc/26/39/17/850263917.db2.gz JTZGTQOWEWDFRU-MPGHIAIKSA-N 3 0 353.511 0.021 20 0 FCADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161511478 850265959 /nfs/dbraw/zinc/26/59/59/850265959.db2.gz ZUGZCXCXGAGXHY-GJZGRUSLSA-N 2 0 351.472 0.442 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520073 850266920 /nfs/dbraw/zinc/26/69/20/850266920.db2.gz IJGACQFAJXYDTE-MNOVXSKESA-N 2 0 362.297 0.438 20 0 FCADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550491 850270675 /nfs/dbraw/zinc/27/06/75/850270675.db2.gz KJGZLKBKMREJIT-KBPBESRZSA-N 2 0 352.479 0.084 20 0 FCADRP CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]2)CC1 ZINC001162391573 850312871 /nfs/dbraw/zinc/31/28/71/850312871.db2.gz BZEMKWDKPAQBFP-ZIAGYGMSSA-N 2 0 353.492 0.845 20 0 FCADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1 ZINC001163147548 850357833 /nfs/dbraw/zinc/35/78/33/850357833.db2.gz ZZSOXDSXORHTLR-BRWVUGGUSA-N 2 0 366.487 0.116 20 0 FCADRP C[C@@H]1CC[C@@H](C[NH3+])N(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164061946 850392936 /nfs/dbraw/zinc/39/29/36/850392936.db2.gz ICNUAMVBRFVBGG-NEPJUHHUSA-N 2 0 353.492 0.132 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3C[C@](O)(C(F)(F)F)C[C@H]3CO)[nH+]2)CC1 ZINC001164157124 850394926 /nfs/dbraw/zinc/39/49/26/850394926.db2.gz JVNDSFJDJWYZNS-WFASDCNBSA-N 2 0 360.380 0.874 20 0 FCADRP CS(=O)(=O)c1nc2c(c(N3CC[C@]4(C3)CCC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001165237227 850430116 /nfs/dbraw/zinc/43/01/16/850430116.db2.gz YMAJURFOQWNHPG-QGZVFWFLSA-N 2 0 365.503 0.148 20 0 FCADRP CS(=O)(=O)N(c1cnc(O[C@H]2CC[NH2+]C2)nc1)c1cccc(C[NH3+])c1 ZINC001166470856 850478037 /nfs/dbraw/zinc/47/80/37/850478037.db2.gz IFFBGDNIEQFRLW-HNNXBMFYSA-N 2 0 363.443 0.774 20 0 FCADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965502 850565646 /nfs/dbraw/zinc/56/56/46/850565646.db2.gz IDRVTXWKMKMFPG-UYTSQGDYSA-N 2 0 351.495 0.786 20 0 FCADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NS(=O)(=O)c1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001169125768 850605663 /nfs/dbraw/zinc/60/56/63/850605663.db2.gz KZAAWHSCBMCZAM-XGBSXSJOSA-N 2 0 364.515 1.000 20 0 FCADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133386 850607355 /nfs/dbraw/zinc/60/73/55/850607355.db2.gz FJYJUABIYWSGFH-GJGATLCTSA-N 2 0 351.491 0.665 20 0 FCADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181411 850609095 /nfs/dbraw/zinc/60/90/95/850609095.db2.gz PDZJZQKJSJHUCW-CHWSQXEVSA-N 2 0 350.467 0.177 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(N3CC[NH2+][C@@H](C)C3)nn2)O1 ZINC001170272668 850648929 /nfs/dbraw/zinc/64/89/29/850648929.db2.gz JUWCNTZVRFJDAC-ZOMKSWQUSA-N 2 0 350.467 0.411 20 0 FCADRP NS(=O)(=O)c1ccc(Oc2cc(N[C@@H]([NH3+])CCC[NH3+])ncn2)cc1 ZINC001170896534 850669962 /nfs/dbraw/zinc/66/99/62/850669962.db2.gz GGWQTTOZRYDAHF-GFCCVEGCSA-N 2 0 352.420 0.352 20 0 FCADRP CN(C)S(=O)(=O)c1ccc2nc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])nc2c1 ZINC001170896544 850669969 /nfs/dbraw/zinc/66/99/69/850669969.db2.gz GSKCEWLPOLHZQW-GFCCVEGCSA-N 2 0 372.882 0.969 20 0 FCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCOCCOCCC[NH3+])C[C@@H]1C(=O)OC ZINC001173564761 850726921 /nfs/dbraw/zinc/72/69/21/850726921.db2.gz LIBSTZGFQDADQE-QKDCVEJESA-N 2 0 360.451 0.089 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])C[C@@H]1C(=O)OC ZINC001173572371 850728187 /nfs/dbraw/zinc/72/81/87/850728187.db2.gz DVWDCVJHMVDMDK-NPPSNJSXSA-N 2 0 358.435 0.042 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCC(=O)Nc1nncs1 ZINC001177446883 850847376 /nfs/dbraw/zinc/84/73/76/850847376.db2.gz ICWAJXLMAXRJMM-UHFFFAOYSA-N 2 0 370.523 0.989 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001178523347 850905412 /nfs/dbraw/zinc/90/54/12/850905412.db2.gz WEOCUBQRGVTIBX-LSDHHAIUSA-N 2 0 351.499 0.707 20 0 FCADRP N=c1sc2c(n1C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC[C@H]([NH3+])C2 ZINC001180612440 851054233 /nfs/dbraw/zinc/05/42/33/851054233.db2.gz NMJYPTMZQVFLPX-NSHDSACASA-N 2 0 351.476 0.073 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182314338 851169071 /nfs/dbraw/zinc/16/90/71/851169071.db2.gz GSAGVIHPPLOVIW-MRXNPFEDSA-N 2 0 353.488 0.954 20 0 FCADRP Cc1nc(I)oc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184655752 851316897 /nfs/dbraw/zinc/31/68/97/851316897.db2.gz WOLGZNWJXZGJCY-UHFFFAOYSA-N 2 0 365.175 0.662 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250462 851345352 /nfs/dbraw/zinc/34/53/52/851345352.db2.gz GREYRHZUYDHGNX-HOTGVXAUSA-N 2 0 352.523 0.770 20 0 FCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001186037172 851407191 /nfs/dbraw/zinc/40/71/91/851407191.db2.gz FUVHADNLCGZQHN-ZHALLVOQSA-N 2 0 351.491 0.260 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC001188131446 851653683 /nfs/dbraw/zinc/65/36/83/851653683.db2.gz XWVMEZZDTBUUOI-UHFFFAOYSA-N 2 0 355.464 0.272 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159763 851761069 /nfs/dbraw/zinc/76/10/69/851761069.db2.gz KADQEUIOHFBBGW-OWCLPIDISA-N 2 0 352.523 0.974 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317162 851777849 /nfs/dbraw/zinc/77/78/49/851777849.db2.gz HOIYCIXGZQHWCU-ZWKOTPCHSA-N 2 0 353.507 0.914 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189485428 851795249 /nfs/dbraw/zinc/79/52/49/851795249.db2.gz WZQJMHKFYGQXED-RCCFBDPRSA-N 2 0 355.523 0.894 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189669647 851814110 /nfs/dbraw/zinc/81/41/10/851814110.db2.gz YXINRQAFIOETDY-JKSUJKDBSA-N 2 0 353.511 0.569 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1)C1CC1 ZINC001189669679 851814432 /nfs/dbraw/zinc/81/44/32/851814432.db2.gz ZJWHIZFOYLIDGV-DOTOQJQBSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148804 851867618 /nfs/dbraw/zinc/86/76/18/851867618.db2.gz JWQSHXPIEGWFAS-HRCADAONSA-N 2 0 351.495 0.178 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(CN2CCOCC2)on1 ZINC001190212312 851876323 /nfs/dbraw/zinc/87/63/23/851876323.db2.gz NPMFLXPVPFVLNJ-UHFFFAOYSA-N 2 0 352.439 0.184 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)C)CC3)[C@H]2C1 ZINC001278385409 862309769 /nfs/dbraw/zinc/30/97/69/862309769.db2.gz LYJAMXSYOHSPBC-GJZGRUSLSA-N 2 0 350.507 0.633 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCSC)CC3)[C@H]2C1 ZINC001278426715 862322825 /nfs/dbraw/zinc/32/28/25/862322825.db2.gz SJKXEUVPJAWIAU-HOTGVXAUSA-N 2 0 371.547 0.872 20 0 FCADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CCCC1 ZINC001193822040 852494376 /nfs/dbraw/zinc/49/43/76/852494376.db2.gz WUXPAXGYXQIFIO-KURKYZTESA-N 2 0 353.507 0.837 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193892047 852501566 /nfs/dbraw/zinc/50/15/66/852501566.db2.gz CMAVHFHBIQCWQS-KZNAEPCWSA-N 2 0 353.507 0.839 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001194264976 852569497 /nfs/dbraw/zinc/56/94/97/852569497.db2.gz JOQXIZKHIWQFSD-ARFHVFGLSA-N 2 0 357.495 0.074 20 0 FCADRP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](CC3C(=O)N=CNC3=O)C2)C1 ZINC001278561146 862371797 /nfs/dbraw/zinc/37/17/97/862371797.db2.gz UVVPVGGXAVLPAJ-QGZVFWFLSA-N 2 0 351.451 0.116 20 0 FCADRP COC(=O)c1ccc(CN2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)s1 ZINC001278584294 862380898 /nfs/dbraw/zinc/38/08/98/862380898.db2.gz XEJPJGAYNRVJPB-GJZGRUSLSA-N 2 0 353.488 0.981 20 0 FCADRP Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195981280 852860049 /nfs/dbraw/zinc/86/00/49/852860049.db2.gz SCGRAJFQIXJLLV-IIAWOOMASA-N 2 0 353.467 0.058 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O)CC(C)(C)C ZINC001196208129 852916009 /nfs/dbraw/zinc/91/60/09/852916009.db2.gz XZRZXJVQOYPDMI-IAGOWNOFSA-N 2 0 355.523 0.942 20 0 FCADRP Cc1nc(CCN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001197948773 853189946 /nfs/dbraw/zinc/18/99/46/853189946.db2.gz LIFKIUDFXIPTLA-HZPDHXFCSA-N 2 0 354.520 0.887 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948015 853190081 /nfs/dbraw/zinc/19/00/81/853190081.db2.gz CPFRFNATOVVPJZ-HUUCEWRRSA-N 2 0 354.520 0.887 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001198729164 853307415 /nfs/dbraw/zinc/30/74/15/853307415.db2.gz DTSWPTGJTRQGQT-RCCFBDPRSA-N 2 0 353.507 0.840 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001198729719 853308985 /nfs/dbraw/zinc/30/89/85/853308985.db2.gz ZAOXPLDQTCJGPC-QZTJIDSGSA-N 2 0 353.507 0.983 20 0 FCADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199057524 853361303 /nfs/dbraw/zinc/36/13/03/853361303.db2.gz LSZRSPNMRGPKKN-RCCFBDPRSA-N 2 0 353.507 0.983 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536147 853501353 /nfs/dbraw/zinc/50/13/53/853501353.db2.gz AGBJIVPRBXRZCL-OWCLPIDISA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538387 853502347 /nfs/dbraw/zinc/50/23/47/853502347.db2.gz ZKQVOZVHJMQDIL-OWCLPIDISA-N 2 0 354.495 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCCC3)CC2)CC[N@@H+]1C ZINC001200635765 853506259 /nfs/dbraw/zinc/50/62/59/853506259.db2.gz COSAWRCHHFEOQY-RHSMWYFYSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513509 853619178 /nfs/dbraw/zinc/61/91/78/853619178.db2.gz LOVKDMUJJMMLGH-YESZJQIVSA-N 2 0 353.507 0.648 20 0 FCADRP CN(C)C(=O)COCc1noc2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207395824 853808829 /nfs/dbraw/zinc/80/88/29/853808829.db2.gz YELHOJZBLCYJHZ-UHFFFAOYSA-N 2 0 350.463 0.979 20 0 FCADRP O=C([C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC12CCOCC2)N1CCOCC1 ZINC001207435256 853812218 /nfs/dbraw/zinc/81/22/18/853812218.db2.gz BMFCSFKZOYPPND-KRWDZBQOSA-N 2 0 351.491 0.573 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568213 853827918 /nfs/dbraw/zinc/82/79/18/853827918.db2.gz VRPAYJLDLATYGT-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854642 /nfs/dbraw/zinc/85/46/42/853854642.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 2 0 351.495 0.411 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036707 853884665 /nfs/dbraw/zinc/88/46/65/853884665.db2.gz WCUMHNNTRPLJDG-QCZOYZIOSA-N 2 0 351.491 0.711 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001208070598 853891903 /nfs/dbraw/zinc/89/19/03/853891903.db2.gz NSGITOMRLHPPTA-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435029 853933263 /nfs/dbraw/zinc/93/32/63/853933263.db2.gz OTZKEJHCGWLQDS-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435242 853934899 /nfs/dbraw/zinc/93/48/99/853934899.db2.gz YCVLLNVOMQJKGC-IXDOHACOSA-N 2 0 353.507 0.960 20 0 FCADRP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611942 853960676 /nfs/dbraw/zinc/96/06/76/853960676.db2.gz YPLFQBNEJRLACJ-PKOBYXMFSA-N 2 0 352.523 0.489 20 0 FCADRP CCOC(C)(C)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001209073026 853995549 /nfs/dbraw/zinc/99/55/49/853995549.db2.gz QDAOJRCUJKHQEL-UHFFFAOYSA-N 2 0 354.539 0.972 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837523 854057944 /nfs/dbraw/zinc/05/79/44/854057944.db2.gz ZXFRVPYFAMOHLC-IJEWVQPXSA-N 2 0 354.495 0.010 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277208 854094821 /nfs/dbraw/zinc/09/48/21/854094821.db2.gz QRIFBLLEVXQUKY-OWCLPIDISA-N 2 0 353.511 0.472 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297184 854097640 /nfs/dbraw/zinc/09/76/40/854097640.db2.gz CYYCIVQJSVAAAY-BRWVUGGUSA-N 2 0 357.495 0.197 20 0 FCADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330082 854100565 /nfs/dbraw/zinc/10/05/65/854100565.db2.gz NYEIRXHZYYMDFK-BRWVUGGUSA-N 2 0 351.491 0.714 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210514365 854115795 /nfs/dbraw/zinc/11/57/95/854115795.db2.gz SEYIABJREBBFOK-CHWSQXEVSA-N 2 0 366.428 0.833 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211299918 854174975 /nfs/dbraw/zinc/17/49/75/854174975.db2.gz CGRVCAYLMUXBJL-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350699 854179100 /nfs/dbraw/zinc/17/91/00/854179100.db2.gz VGKOSAVDUPRLKF-BFYDXBDKSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001211371172 854183096 /nfs/dbraw/zinc/18/30/96/854183096.db2.gz LKZHVSUWUXGDSD-HUUCEWRRSA-N 2 0 362.540 0.045 20 0 FCADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458560 854486118 /nfs/dbraw/zinc/48/61/18/854486118.db2.gz JYVPKDZKTKIKBF-BZUAXINKSA-N 2 0 357.495 0.195 20 0 FCADRP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342036 854581786 /nfs/dbraw/zinc/58/17/86/854581786.db2.gz CKNZEIRSPOSWSH-IAGOWNOFSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346425 854583686 /nfs/dbraw/zinc/58/36/86/854583686.db2.gz LXZKEMNIAGTHHP-GVDBMIGSSA-N 2 0 359.511 0.177 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759436 854755106 /nfs/dbraw/zinc/75/51/06/854755106.db2.gz LGHSXTPYWFQNHD-RRFJBIMHSA-N 2 0 356.511 0.447 20 0 FCADRP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213859784 854794448 /nfs/dbraw/zinc/79/44/48/854794448.db2.gz KOAWXCDOBTWPNX-MGPQQGTHSA-N 2 0 367.412 0.723 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001214335673 854927234 /nfs/dbraw/zinc/92/72/34/854927234.db2.gz GAMHXOYTPWNVCQ-JHJVBQTASA-N 2 0 364.412 0.586 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214664005 854988250 /nfs/dbraw/zinc/98/82/50/854988250.db2.gz ICWWCKCGIWSJBT-FDYHWXHSSA-N 2 0 366.491 0.253 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214663973 854988287 /nfs/dbraw/zinc/98/82/87/854988287.db2.gz HCSRZLSQYPHTJW-KLHDSHLOSA-N 2 0 374.551 0.045 20 0 FCADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001214747866 855001668 /nfs/dbraw/zinc/00/16/68/855001668.db2.gz YLQNGJWRZMERQZ-UKRRQHHQSA-N 2 0 355.504 0.869 20 0 FCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747126 855001736 /nfs/dbraw/zinc/00/17/36/855001736.db2.gz FFEFPNFLOBRVON-MBNYWOFBSA-N 2 0 352.504 0.994 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214855646 855023491 /nfs/dbraw/zinc/02/34/91/855023491.db2.gz JUHSVXVVXJDNLX-MZMPZRCHSA-N 2 0 350.507 0.679 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214863702 855025307 /nfs/dbraw/zinc/02/53/07/855025307.db2.gz UZOUKVCTDLNEFZ-GDBMZVCRSA-N 2 0 359.536 0.732 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904974 855031110 /nfs/dbraw/zinc/03/11/10/855031110.db2.gz SHRLTYFWONQDSG-INMHGKMJSA-N 2 0 356.511 0.162 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1)[NH+](C)C ZINC001214952565 855039051 /nfs/dbraw/zinc/03/90/51/855039051.db2.gz BJISDMIEXJFPKT-BZUAXINKSA-N 2 0 361.552 0.976 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214968762 855042292 /nfs/dbraw/zinc/04/22/92/855042292.db2.gz AYVGUENTRCJPBO-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415709 855112000 /nfs/dbraw/zinc/11/20/00/855112000.db2.gz IVOFQCYUMDUCHG-HUUCEWRRSA-N 2 0 353.511 0.472 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215414363 855112369 /nfs/dbraw/zinc/11/23/69/855112369.db2.gz VCXYEOCAOHFLHU-GDBMZVCRSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215416689 855112497 /nfs/dbraw/zinc/11/24/97/855112497.db2.gz WQACKXIDNOKRMO-GDBMZVCRSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001215453431 855117114 /nfs/dbraw/zinc/11/71/14/855117114.db2.gz AVRCGUQLOPJSKX-CKEIUWERSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215453777 855117175 /nfs/dbraw/zinc/11/71/75/855117175.db2.gz QWFKSMXXUVWYHH-GDBMZVCRSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215453632 855117198 /nfs/dbraw/zinc/11/71/98/855117198.db2.gz LKDFCWZLKQCPLR-RHSMWYFYSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215453890 855117333 /nfs/dbraw/zinc/11/73/33/855117333.db2.gz XOQXRSJGGQLOJA-DGCLKSJQSA-N 2 0 366.491 0.255 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215541342 855127048 /nfs/dbraw/zinc/12/70/48/855127048.db2.gz YRJQWFAQWIKEKC-BZUAXINKSA-N 2 0 353.511 0.615 20 0 FCADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215541343 855127240 /nfs/dbraw/zinc/12/72/40/855127240.db2.gz YRJQWFAQWIKEKC-OWCLPIDISA-N 2 0 353.511 0.615 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1)[NH+](C)C ZINC001215571684 855129076 /nfs/dbraw/zinc/12/90/76/855129076.db2.gz SVHVCGQLVOKWFR-UPJWGTAASA-N 2 0 353.492 0.858 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215774213 855144768 /nfs/dbraw/zinc/14/47/68/855144768.db2.gz LLKBGSFUDAZGHA-DJIMGWMZSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)OC ZINC001215865670 855152022 /nfs/dbraw/zinc/15/20/22/855152022.db2.gz ZEORZBBHQWMRFD-DJIMGWMZSA-N 2 0 351.495 0.920 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216983 855180325 /nfs/dbraw/zinc/18/03/25/855180325.db2.gz FXZPKHFGZMSKNZ-ZIAGYGMSSA-N 2 0 355.483 0.001 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327426 855192420 /nfs/dbraw/zinc/19/24/20/855192420.db2.gz STXPRYPMYHFUQD-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327735 855193238 /nfs/dbraw/zinc/19/32/38/855193238.db2.gz XSPONXAWVPMLMC-FHLIZLRMSA-N 2 0 353.507 0.552 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001216383831 855196294 /nfs/dbraw/zinc/19/62/94/855196294.db2.gz QSKSUNAGVJNACQ-BFYDXBDKSA-N 2 0 350.507 0.824 20 0 FCADRP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402194 855199571 /nfs/dbraw/zinc/19/95/71/855199571.db2.gz XIUFKZAKLGFFEG-UKRRQHHQSA-N 2 0 353.467 0.325 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410108 855200379 /nfs/dbraw/zinc/20/03/79/855200379.db2.gz QVWWDRRTHNUPOR-OWCLPIDISA-N 2 0 350.507 0.774 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458778 855205070 /nfs/dbraw/zinc/20/50/70/855205070.db2.gz AKSDPJGEYWXYLG-HUUCEWRRSA-N 2 0 362.540 0.094 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459402 855205249 /nfs/dbraw/zinc/20/52/49/855205249.db2.gz VQJATHCBZGZVLQ-HZPDHXFCSA-N 2 0 361.552 0.980 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216506476 855209855 /nfs/dbraw/zinc/20/98/55/855209855.db2.gz JMQGVYPIMQSPHO-IXDOHACOSA-N 2 0 359.511 0.179 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001216506181 855209987 /nfs/dbraw/zinc/20/99/87/855209987.db2.gz FBAQXPSFQTYOCO-HZPDHXFCSA-N 2 0 355.527 0.862 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001216754247 855232930 /nfs/dbraw/zinc/23/29/30/855232930.db2.gz MMITXUMEGCPLPK-JHJVBQTASA-N 2 0 364.412 0.443 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC(F)F)C1 ZINC001216758011 855233799 /nfs/dbraw/zinc/23/37/99/855233799.db2.gz VMBVPVSOGODGJN-RBSFLKMASA-N 2 0 363.449 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001216834131 855252560 /nfs/dbraw/zinc/25/25/60/855252560.db2.gz JYDQVMAPOOUVRH-QLFBSQMISA-N 2 0 350.463 0.104 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216830273 855252576 /nfs/dbraw/zinc/25/25/76/855252576.db2.gz NKCRFIJZEROTQW-NVXWUHKLSA-N 2 0 350.507 0.825 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001216835964 855253232 /nfs/dbraw/zinc/25/32/32/855253232.db2.gz PPGANIOPFGSIPV-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113662 855398438 /nfs/dbraw/zinc/39/84/38/855398438.db2.gz CLZVQPOFOSOLGH-QGHHPUGFSA-N 2 0 350.419 0.282 20 0 FCADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218102997 855398728 /nfs/dbraw/zinc/39/87/28/855398728.db2.gz OLJYNGRQFRABHG-STQMWFEESA-N 2 0 351.472 0.577 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566267 855440703 /nfs/dbraw/zinc/44/07/03/855440703.db2.gz CZYHCVROEQZDQN-VIFPVBQESA-N 2 0 355.240 0.569 20 0 FCADRP O=C(Nc1ncnc2[nH]cc(Br)c21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218614052 855450308 /nfs/dbraw/zinc/45/03/08/855450308.db2.gz ABHMUEYNPWRHSY-ZETCQYMHSA-N 2 0 351.208 0.468 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc[nH]c1=S ZINC001218622555 855451900 /nfs/dbraw/zinc/45/19/00/855451900.db2.gz RLZARBPNIXGUAI-AAEUAGOBSA-N 2 0 351.476 0.756 20 0 FCADRP C[C@H](COCC(=O)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21)[NH+]1CCCC1 ZINC001218650703 855458650 /nfs/dbraw/zinc/45/86/50/855458650.db2.gz IBPGSTQKQZYDER-BPQIPLTHSA-N 2 0 351.491 0.809 20 0 FCADRP O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218699391 855466693 /nfs/dbraw/zinc/46/66/93/855466693.db2.gz YPPRUECAOVXUDB-SJKOYZFVSA-N 2 0 365.865 0.709 20 0 FCADRP Nc1ccc(N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]2CC[C@H](O)CC2)nc1 ZINC001218751762 855474707 /nfs/dbraw/zinc/47/47/07/855474707.db2.gz BOYOINXQBDBMGS-IHRRRGAJSA-N 2 0 353.492 0.320 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001218756787 855475588 /nfs/dbraw/zinc/47/55/88/855475588.db2.gz OJHXGBVQJZQUOX-ZETCQYMHSA-N 2 0 351.760 0.841 20 0 FCADRP CC(C)(C)[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218776456 855478461 /nfs/dbraw/zinc/47/84/61/855478461.db2.gz KZJJNYFLYJKGJE-UMNHJUIQSA-N 2 0 370.885 0.003 20 0 FCADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218893220 855492095 /nfs/dbraw/zinc/49/20/95/855492095.db2.gz ZZQRXACNNXPTDA-OAHLLOKOSA-N 2 0 354.476 0.044 20 0 FCADRP NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001219088463 855543727 /nfs/dbraw/zinc/54/37/27/855543727.db2.gz WLVPXHBOLWMJKY-ZDUSSCGKSA-N 2 0 365.503 0.346 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092715 855544105 /nfs/dbraw/zinc/54/41/05/855544105.db2.gz RSFCIEDXLIFWML-ZDUSSCGKSA-N 2 0 357.476 0.628 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219535892 855705850 /nfs/dbraw/zinc/70/58/50/855705850.db2.gz AQFFUCPMRURSFT-UHIISALHSA-N 2 0 350.444 0.227 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccccc1OC(F)(F)F ZINC001219575291 855720758 /nfs/dbraw/zinc/72/07/58/855720758.db2.gz HZRFOPUYDDWJMM-CYBMUJFWSA-N 2 0 360.380 0.952 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614117 855733833 /nfs/dbraw/zinc/73/38/33/855733833.db2.gz SAPWHHUJQMIADP-WFASDCNBSA-N 2 0 358.364 0.083 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219615973 855735080 /nfs/dbraw/zinc/73/50/80/855735080.db2.gz KXEAACSZOAIGTG-YQQAZPJKSA-N 2 0 370.494 0.263 20 0 FCADRP [NH3+][C@H]1CCCN([C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c2ccsc2)C1 ZINC001219813149 855827749 /nfs/dbraw/zinc/82/77/49/855827749.db2.gz OTSJYEBMEVAGKZ-CUSZFKRNSA-N 2 0 364.515 0.565 20 0 FCADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219823959 855832110 /nfs/dbraw/zinc/83/21/10/855832110.db2.gz WKQBSGGBLLJXRH-OLZOCXBDSA-N 2 0 358.471 0.551 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825912 855833960 /nfs/dbraw/zinc/83/39/60/855833960.db2.gz NPLRMQBYMJLZST-LSDHHAIUSA-N 2 0 358.467 0.695 20 0 FCADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)C[NH2+]CC2 ZINC001219843924 855843470 /nfs/dbraw/zinc/84/34/70/855843470.db2.gz FSCDXABSJBPGMI-SJKOYZFVSA-N 2 0 351.472 0.519 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903253 855871968 /nfs/dbraw/zinc/87/19/68/855871968.db2.gz WNAIPDXGMIJNRN-ZACQAIPSSA-N 2 0 355.523 0.819 20 0 FCADRP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034356 855928462 /nfs/dbraw/zinc/92/84/62/855928462.db2.gz RXTMNLACVNMOGS-XFHVWQCUSA-N 2 0 351.491 0.447 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)CCCCC1 ZINC001220072039 855945950 /nfs/dbraw/zinc/94/59/50/855945950.db2.gz BVICPYYEORPQJU-ZACQAIPSSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)CCCC1 ZINC001220077930 855949020 /nfs/dbraw/zinc/94/90/20/855949020.db2.gz BSFABRXFLOVNCE-ZACQAIPSSA-N 2 0 353.507 0.981 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(F)CCOCC1 ZINC001220137018 855977073 /nfs/dbraw/zinc/97/70/73/855977073.db2.gz OBFVPPPYZBDDKH-KBPBESRZSA-N 2 0 358.458 0.069 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161968 855988256 /nfs/dbraw/zinc/98/82/56/855988256.db2.gz HBLPXKHUJRIUOF-JFIYKMOQSA-N 3 0 350.507 0.478 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161286 855988405 /nfs/dbraw/zinc/98/84/05/855988405.db2.gz BGSRFHGIVJEBRY-NUXNZHGMSA-N 2 0 352.479 0.336 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC001220200165 856005802 /nfs/dbraw/zinc/00/58/02/856005802.db2.gz CCEWBXAMCAHFML-HOCLYGCPSA-N 2 0 356.511 0.482 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001220200167 856006094 /nfs/dbraw/zinc/00/60/94/856006094.db2.gz CDPGQYSNGRBGEL-FUHWJXTLSA-N 2 0 352.523 0.677 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220259053 856033708 /nfs/dbraw/zinc/03/37/08/856033708.db2.gz XAFQSCYMSYYUCC-MRXNPFEDSA-N 2 0 353.511 0.923 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001220290294 856047298 /nfs/dbraw/zinc/04/72/98/856047298.db2.gz UXTPRRLNTJZCNQ-HZSPNIEDSA-N 2 0 369.428 0.703 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(F)cc2c1OCOC2 ZINC001220294329 856049702 /nfs/dbraw/zinc/04/97/02/856049702.db2.gz QAGOVMYSRAELDT-HNNXBMFYSA-N 2 0 352.410 0.059 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cc(Cl)nn(-c2ccccc2)c1=O ZINC001220398491 856106733 /nfs/dbraw/zinc/10/67/33/856106733.db2.gz ARIZEWGCFYQBQE-NSHDSACASA-N 2 0 367.862 0.844 20 0 FCADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497299 856155010 /nfs/dbraw/zinc/15/50/10/856155010.db2.gz PNQWBWWYHGDRJG-OAHLLOKOSA-N 2 0 364.515 0.751 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC001220522591 856166226 /nfs/dbraw/zinc/16/62/26/856166226.db2.gz AOOSSWFGBLAVDC-CZUORRHYSA-N 2 0 350.463 0.130 20 0 FCADRP CC(C)([NH3+])CN(C(=O)C1(N)CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535613 856170855 /nfs/dbraw/zinc/17/08/55/856170855.db2.gz HAJHSWYQYRUTFP-UHFFFAOYSA-N 2 0 354.476 0.022 20 0 FCADRP COc1cc(OC)cc([C@H](C)NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001220572763 856189576 /nfs/dbraw/zinc/18/95/76/856189576.db2.gz ARRRVYLDEREMIB-SJCJKPOMSA-N 2 0 350.463 0.631 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)c1ccc(Br)cc1 ZINC001220605719 856202448 /nfs/dbraw/zinc/20/24/48/856202448.db2.gz WLXGYSPTUZOLOF-STQMWFEESA-N 2 0 352.236 0.858 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccc(Br)cc1 ZINC001220607283 856203072 /nfs/dbraw/zinc/20/30/72/856203072.db2.gz JGCTUBUKPGQBSW-LNSITVRQSA-N 2 0 354.248 0.801 20 0 FCADRP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1ccc(Br)cc1 ZINC001220607049 856203711 /nfs/dbraw/zinc/20/37/11/856203711.db2.gz HKGCFSPQIOYZBX-CORIIIEPSA-N 2 0 353.264 0.517 20 0 FCADRP CCOC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cccc(O)c1 ZINC001220668435 856233744 /nfs/dbraw/zinc/23/37/44/856233744.db2.gz QWKVZNJLLKIBGZ-UONOGXRCSA-N 2 0 355.460 0.522 20 0 FCADRP CSc1ncc(Cl)c(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220714687 856258502 /nfs/dbraw/zinc/25/85/02/856258502.db2.gz VSLSQBUQGZBNMK-LLVKDONJSA-N 2 0 358.899 0.219 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803137 856307739 /nfs/dbraw/zinc/30/77/39/856307739.db2.gz CEHGGWXRAQXXEZ-USZNOCQGSA-N 2 0 352.401 0.521 20 0 FCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CCC2(CC1)OCCO2 ZINC001220802999 856308380 /nfs/dbraw/zinc/30/83/80/856308380.db2.gz AXVJQRVBYYLPKX-GHMZBOCLSA-N 2 0 351.369 0.658 20 0 FCADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001220926678 856378103 /nfs/dbraw/zinc/37/81/03/856378103.db2.gz VZCXWGDHKOMFGF-HNNXBMFYSA-N 2 0 362.540 0.270 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC001220985730 856407682 /nfs/dbraw/zinc/40/76/82/856407682.db2.gz DCASXSZBOWMOAL-JQHSSLGASA-N 2 0 351.491 0.616 20 0 FCADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220994166 856412643 /nfs/dbraw/zinc/41/26/43/856412643.db2.gz DTSWPTGJTRQGQT-KSZLIROESA-N 2 0 353.507 0.840 20 0 FCADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001221006142 856419505 /nfs/dbraw/zinc/41/95/05/856419505.db2.gz AOKHELFFOGNRAU-KKUMJFAQSA-N 2 0 352.479 0.051 20 0 FCADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221056605 856438883 /nfs/dbraw/zinc/43/88/83/856438883.db2.gz VOIDBJQNXPATSU-BRWVUGGUSA-N 3 0 350.507 0.620 20 0 FCADRP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073356 856450202 /nfs/dbraw/zinc/45/02/02/856450202.db2.gz RVSMIXLTPVHKSC-BBWFWOEESA-N 2 0 353.507 0.839 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001221188552 856506851 /nfs/dbraw/zinc/50/68/51/856506851.db2.gz XJRMXAINBWPGQC-ZFWWWQNUSA-N 2 0 352.435 0.141 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001221188371 856507225 /nfs/dbraw/zinc/50/72/25/856507225.db2.gz UETSSPQHBVOWKJ-LSDHHAIUSA-N 2 0 350.463 0.279 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC001221187888 856507312 /nfs/dbraw/zinc/50/73/12/856507312.db2.gz JIOFPJKKICIRDK-STQMWFEESA-N 2 0 361.364 0.972 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)[C@@H]2C1 ZINC001279269105 862805297 /nfs/dbraw/zinc/80/52/97/862805297.db2.gz JXQXRUBAXOFZFA-YYIAUSFCSA-N 2 0 351.491 0.775 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)CC(=O)OC(C)(CC)CC ZINC001221389116 856558092 /nfs/dbraw/zinc/55/80/92/856558092.db2.gz HWURHEXWQXVKOW-ZDUSSCGKSA-N 2 0 357.499 0.890 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221777095 856678963 /nfs/dbraw/zinc/67/89/63/856678963.db2.gz QWXCPHGYNLUMSE-GVDBMIGSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222656778 856860939 /nfs/dbraw/zinc/86/09/39/856860939.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 2 0 353.507 0.791 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223388176 856911566 /nfs/dbraw/zinc/91/15/66/856911566.db2.gz ZUNFVBWJPZQJPH-SJORKVTESA-N 2 0 353.507 0.914 20 0 FCADRP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223378824 856911705 /nfs/dbraw/zinc/91/17/05/856911705.db2.gz NKEPSOKEGXJDQR-WBVHZDCISA-N 2 0 350.507 0.872 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001223438749 856916780 /nfs/dbraw/zinc/91/67/80/856916780.db2.gz AJBFXZABOVALJN-SOLBZPMBSA-N 2 0 352.523 0.974 20 0 FCADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226332852 857097056 /nfs/dbraw/zinc/09/70/56/857097056.db2.gz BKFPQEOZZIHRLZ-KLHDSHLOSA-N 2 0 374.551 0.283 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1)[NH+](C)C ZINC001227038545 857138315 /nfs/dbraw/zinc/13/83/15/857138315.db2.gz FPNIRVWGFCERON-MGPQQGTHSA-N 2 0 351.451 0.970 20 0 FCADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444055 857160438 /nfs/dbraw/zinc/16/04/38/857160438.db2.gz OHLAHIFOWQVWLP-RHSMWYFYSA-N 2 0 354.495 0.060 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001227989132 857187372 /nfs/dbraw/zinc/18/73/72/857187372.db2.gz VFRQYMIMUSVMIP-QGZVFWFLSA-N 2 0 355.527 0.160 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228603197 857218622 /nfs/dbraw/zinc/21/86/22/857218622.db2.gz OWGBYQMTSIYDHK-HBUWYVDXSA-N 2 0 356.486 0.962 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001228660383 857220875 /nfs/dbraw/zinc/22/08/75/857220875.db2.gz FGIAPCQFKWJPRK-UPJWGTAASA-N 2 0 368.507 0.834 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001229388769 857267536 /nfs/dbraw/zinc/26/75/36/857267536.db2.gz INXRDMZYPIPTCQ-BZUAXINKSA-N 2 0 352.479 0.003 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001229517040 857273294 /nfs/dbraw/zinc/27/32/94/857273294.db2.gz RMOZNVPYMLLDJZ-CHWSQXEVSA-N 2 0 368.507 0.835 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229523199 857273685 /nfs/dbraw/zinc/27/36/85/857273685.db2.gz DHMUTQDHNGIWPV-ZIAGYGMSSA-N 2 0 351.451 0.972 20 0 FCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716824 857283456 /nfs/dbraw/zinc/28/34/56/857283456.db2.gz LNDSIAGJUQXVAA-HZPDHXFCSA-N 2 0 371.547 0.924 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)CS(C)(=O)=O ZINC001229717286 857284267 /nfs/dbraw/zinc/28/42/67/857284267.db2.gz PWUPTJVILGHUFJ-ARFHVFGLSA-N 2 0 371.547 0.780 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229837629 857289183 /nfs/dbraw/zinc/28/91/83/857289183.db2.gz LWKXCFDBSBNERK-HUUCEWRRSA-N 2 0 362.540 0.285 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229877360 857291468 /nfs/dbraw/zinc/29/14/68/857291468.db2.gz RFEDPQNDPKIDAF-MGPQQGTHSA-N 2 0 355.483 0.189 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284649 857322830 /nfs/dbraw/zinc/32/28/30/857322830.db2.gz PBMRMJRASHLIAQ-IAGOWNOFSA-N 2 0 356.511 0.496 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235274545 857420815 /nfs/dbraw/zinc/42/08/15/857420815.db2.gz OEGMAQBEPTYLLO-BPLDGKMQSA-N 2 0 365.396 0.382 20 0 FCADRP Fc1ccc(Br)nc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871135 857433686 /nfs/dbraw/zinc/43/36/86/857433686.db2.gz PSAYYCYAFTZDND-UHFFFAOYSA-N 2 0 360.275 0.568 20 0 FCADRP Fc1cnc(Br)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870094 857433797 /nfs/dbraw/zinc/43/37/97/857433797.db2.gz HVKYGVMXYFPGAA-UHFFFAOYSA-N 2 0 360.275 0.568 20 0 FCADRP COC(=O)c1c(F)ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1F ZINC001235875682 857434361 /nfs/dbraw/zinc/43/43/61/857434361.db2.gz SNPMWOLDIUKBLG-UHFFFAOYSA-N 2 0 356.417 0.336 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc2c1OCO2 ZINC001236310275 857438837 /nfs/dbraw/zinc/43/88/37/857438837.db2.gz WILZNBOWLBPWTP-UHFFFAOYSA-N 2 0 352.435 0.040 20 0 FCADRP Cc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cnc1Br ZINC001236311255 857438958 /nfs/dbraw/zinc/43/89/58/857438958.db2.gz HQIMZYZLLYUUIL-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP CCOc1ccc(F)c(F)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310868 857438959 /nfs/dbraw/zinc/43/89/59/857438959.db2.gz MRDPFIRPBKAHBZ-UHFFFAOYSA-N 2 0 358.433 0.979 20 0 FCADRP Cc1cncc(Br)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311324 857439089 /nfs/dbraw/zinc/43/90/89/857439089.db2.gz IVUUTUNJNFFVIJ-UHFFFAOYSA-N 2 0 372.311 0.768 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc2c(c1)OC(F)(F)O2 ZINC001236310217 857439121 /nfs/dbraw/zinc/43/91/21/857439121.db2.gz FTTUKYZKIUOEQM-UHFFFAOYSA-N 2 0 358.389 0.624 20 0 FCADRP CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238242241 857464599 /nfs/dbraw/zinc/46/45/99/857464599.db2.gz OEOYAEHESSZOFY-AWEZNQCLSA-N 2 0 366.487 0.199 20 0 FCADRP CC(=O)Nc1cccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001238239707 857465114 /nfs/dbraw/zinc/46/51/14/857465114.db2.gz FPFIIIBADLIFNF-OAHLLOKOSA-N 2 0 366.487 0.798 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])ccc1O ZINC001238879033 857485504 /nfs/dbraw/zinc/48/55/04/857485504.db2.gz GJNQVSHTKPFBPI-UHFFFAOYSA-N 2 0 359.448 0.176 20 0 FCADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1cccc(Br)n1 ZINC001238879398 857485823 /nfs/dbraw/zinc/48/58/23/857485823.db2.gz RFZAYWKJIYVXAX-UHFFFAOYSA-N 2 0 351.270 0.451 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c(C)cc1O ZINC001238880239 857487269 /nfs/dbraw/zinc/48/72/69/857487269.db2.gz ZOJYAMYDDIAREE-UHFFFAOYSA-N 2 0 373.475 0.484 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239077008 857506833 /nfs/dbraw/zinc/50/68/33/857506833.db2.gz WBWHANCIWIRRPH-INIZCTEOSA-N 2 0 368.503 0.425 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC001239132009 857517888 /nfs/dbraw/zinc/51/78/88/857517888.db2.gz YIDBJUYLFJILFQ-UHFFFAOYSA-N 2 0 362.883 0.145 20 0 FCADRP C[NH+](C)CCNC(=S)N[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001239389752 857527752 /nfs/dbraw/zinc/52/77/52/857527752.db2.gz VZDRMVWSCVIKGH-HNNXBMFYSA-N 2 0 352.504 0.863 20 0 FCADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=S)NCC[NH3+])C2 ZINC001239431121 857528904 /nfs/dbraw/zinc/52/89/04/857528904.db2.gz GFLAJLMQVFASNH-SUMWQHHRSA-N 2 0 354.520 0.465 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)Nc1ccc2c(c1)OCO2 ZINC001239453843 857529549 /nfs/dbraw/zinc/52/95/49/857529549.db2.gz YWBCATQCSLFXJU-UHFFFAOYSA-N 2 0 367.475 0.228 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245983006 857562838 /nfs/dbraw/zinc/56/28/38/857562838.db2.gz KPWYVAQNDXKDEM-IXJQEDDXSA-N 3 0 355.429 0.410 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001245983448 857563226 /nfs/dbraw/zinc/56/32/26/857563226.db2.gz GQQUJTBFFAKUDB-XFKAJCMBSA-N 3 0 354.445 0.079 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024661 857564051 /nfs/dbraw/zinc/56/40/51/857564051.db2.gz IKZHXPLKACENKL-BVPBIZIASA-N 3 0 355.429 0.506 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001246019057 857564422 /nfs/dbraw/zinc/56/44/22/857564422.db2.gz HGONNGNCXJEDFD-IEBWSBKVSA-N 2 0 352.475 0.791 20 0 FCADRP CCCOC[C@H](O)CN1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001246034670 857565449 /nfs/dbraw/zinc/56/54/49/857565449.db2.gz RPGDGQYEFSNUPW-BPLDGKMQSA-N 2 0 368.396 0.791 20 0 FCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246214946 857571606 /nfs/dbraw/zinc/57/16/06/857571606.db2.gz GYGHQLKIZAHDIK-KRWDZBQOSA-N 3 0 359.511 0.276 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH2+]CC[C@H](N)C(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC001246388243 857575944 /nfs/dbraw/zinc/57/59/44/857575944.db2.gz FLTWUDSBEDTULT-PCGVCOGMSA-N 2 0 355.479 0.707 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246521424 857583547 /nfs/dbraw/zinc/58/35/47/857583547.db2.gz VGSWBEIESCVKLA-VKJFTORMSA-N 2 0 354.495 0.380 20 0 FCADRP CC(C)(C)OC(=O)CN1CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246594608 857585541 /nfs/dbraw/zinc/58/55/41/857585541.db2.gz KEVVOQPCHWVCAC-UHFFFAOYSA-N 2 0 352.523 0.820 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620241 857587578 /nfs/dbraw/zinc/58/75/78/857587578.db2.gz XBLAOEBHJLRFQZ-SUJAAXHWSA-N 2 0 353.463 0.143 20 0 FCADRP C[C@H]1C[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CC[NH2+]1 ZINC001246698396 857590571 /nfs/dbraw/zinc/59/05/71/857590571.db2.gz VSQZSCVIZWLXMN-DRPJVOAASA-N 2 0 355.508 0.095 20 0 FCADRP C[C@@H]1CC[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C[NH2+]1 ZINC001246693628 857590815 /nfs/dbraw/zinc/59/08/15/857590815.db2.gz KXRZBIKATJHXCF-DMRZNYOFSA-N 2 0 355.508 0.095 20 0 FCADRP C[C@H]1CC[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C[NH2+]1 ZINC001246693635 857590968 /nfs/dbraw/zinc/59/09/68/857590968.db2.gz KXRZBIKATJHXCF-QCEMKRCNSA-N 2 0 355.508 0.095 20 0 FCADRP C[C@@H]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[NH2+]1 ZINC001246729509 857593670 /nfs/dbraw/zinc/59/36/70/857593670.db2.gz ORBXSHRGPQMMCC-SJORKVTESA-N 2 0 351.539 0.297 20 0 FCADRP O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH2+]CC2)O1)N1CCCC1 ZINC001246728944 857594237 /nfs/dbraw/zinc/59/42/37/857594237.db2.gz JETRNJDKONMICU-KZNAEPCWSA-N 2 0 351.491 0.999 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736799 857595591 /nfs/dbraw/zinc/59/55/91/857595591.db2.gz BLIFIHISFLFFCO-ZKXLYKBJSA-N 2 0 351.491 0.570 20 0 FCADRP CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750404 857596838 /nfs/dbraw/zinc/59/68/38/857596838.db2.gz XTFHNYHQLMTTDA-DOTOQJQBSA-N 2 0 356.536 0.361 20 0 FCADRP FC(F)(F)c1ccnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246832355 857601773 /nfs/dbraw/zinc/60/17/73/857601773.db2.gz GHTBVDZAQWOPNP-GFCCVEGCSA-N 2 0 356.396 0.711 20 0 FCADRP CC1(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC[NH2+]CC1 ZINC001246808478 857601913 /nfs/dbraw/zinc/60/19/13/857601913.db2.gz BPSFCEVARSCJOO-HOTGVXAUSA-N 2 0 367.563 0.010 20 0 FCADRP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CC[C@H]([NH3+])C4)CC3)C[C@H](C1)[NH2+]2 ZINC001246968526 857607846 /nfs/dbraw/zinc/60/78/46/857607846.db2.gz QNDFHJXJCZIBCX-XJADACSNSA-N 3 0 350.507 0.556 20 0 FCADRP COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001249834143 857651354 /nfs/dbraw/zinc/65/13/54/857651354.db2.gz IIRUVMSBZAWEDV-KRWDZBQOSA-N 2 0 358.552 0.483 20 0 FCADRP O=C(CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)NCCc1c[nH]cn1 ZINC001251637569 857737551 /nfs/dbraw/zinc/73/75/51/857737551.db2.gz BUEOCYKLKMEJSX-NSHDSACASA-N 2 0 370.347 0.326 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253182666 857869296 /nfs/dbraw/zinc/86/92/96/857869296.db2.gz SGXVEVGDRJGILF-MOPGFXCFSA-N 2 0 357.539 0.750 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001253186632 857870380 /nfs/dbraw/zinc/87/03/80/857870380.db2.gz QNRGSHLQVSWIIJ-MRXNPFEDSA-N 2 0 351.495 0.213 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CNc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001253193882 857871407 /nfs/dbraw/zinc/87/14/07/857871407.db2.gz GODSPIXWWBTENW-IBGZPJMESA-N 2 0 350.507 0.916 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[NH2+]CC1CCN(C(=O)C2CCOCC2)CC1 ZINC001253211089 857873104 /nfs/dbraw/zinc/87/31/04/857873104.db2.gz AAHNZQIPMAUDDL-GOSISDBHSA-N 2 0 355.523 0.944 20 0 FCADRP CCOC(=O)C[C@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001253794917 857912818 /nfs/dbraw/zinc/91/28/18/857912818.db2.gz KPLGQJKUQKHRTM-INIZCTEOSA-N 2 0 350.463 0.651 20 0 FCADRP CCC[NH+](CCC)Cc1cn(CCOCCOCCOCC[NH3+])nn1 ZINC001254149599 857944195 /nfs/dbraw/zinc/94/41/95/857944195.db2.gz NDEXAUUDGOCZNA-UHFFFAOYSA-N 2 0 357.499 0.909 20 0 FCADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254296866 857952511 /nfs/dbraw/zinc/95/25/11/857952511.db2.gz XDFVXOMVLKPBOE-ZDUSSCGKSA-N 2 0 360.459 0.914 20 0 FCADRP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254858915 857988839 /nfs/dbraw/zinc/98/88/39/857988839.db2.gz IMVDWKIDQMETHK-MLHJIOFPSA-N 2 0 371.547 0.889 20 0 FCADRP O=C(Cn1cc(Cl)cn1)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001279614610 862978764 /nfs/dbraw/zinc/97/87/64/862978764.db2.gz ALWJZCVCZMMLGP-HOTGVXAUSA-N 2 0 367.881 0.448 20 0 FCADRP O=C(C[NH2+]C1CCS(=O)(=O)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC001256381190 858074369 /nfs/dbraw/zinc/07/43/69/858074369.db2.gz VECODZRBVSMPLX-UHFFFAOYSA-N 2 0 357.520 0.630 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCOC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279618379 862983619 /nfs/dbraw/zinc/98/36/19/862983619.db2.gz WHNBUSLQCBHVQC-HKUYNNGSSA-N 2 0 352.523 0.631 20 0 FCADRP Oc1ccc(C[C@H]([NH2+]C2CCC([NH+]3CCOCC3)CC2)C(O)O)cc1 ZINC001256686106 858095553 /nfs/dbraw/zinc/09/55/53/858095553.db2.gz JMEVRQKOSIVMHW-HTWSVDAQSA-N 2 0 350.459 0.847 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH+](C)C)CC2)C[C@H]1C(=O)OC ZINC001257732634 858158223 /nfs/dbraw/zinc/15/82/23/858158223.db2.gz FSDJHRCDZVILQM-BZUAXINKSA-N 2 0 355.479 0.297 20 0 FCADRP CCOC(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258480911 858204652 /nfs/dbraw/zinc/20/46/52/858204652.db2.gz AOPINAHYEVYIAW-MRXNPFEDSA-N 2 0 364.483 0.333 20 0 FCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 ZINC001259275485 858253437 /nfs/dbraw/zinc/25/34/37/858253437.db2.gz XWUMNAFNCQPKJP-UHFFFAOYSA-N 2 0 370.563 0.655 20 0 FCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001261334612 858523778 /nfs/dbraw/zinc/52/37/78/858523778.db2.gz VGWNSLRWOCKOKU-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261635895 858616512 /nfs/dbraw/zinc/61/65/12/858616512.db2.gz SGSCJFLGMLTONL-GJYPPUQNSA-N 2 0 350.507 0.810 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC001262064358 858769439 /nfs/dbraw/zinc/76/94/39/858769439.db2.gz YWMOSNFLDCMJQT-CABCVRRESA-N 2 0 356.511 0.483 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591075 859012491 /nfs/dbraw/zinc/01/24/91/859012491.db2.gz FJDSPJJKMYEPTK-CVEARBPZSA-N 2 0 354.495 0.291 20 0 FCADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccco1)N1CC[NH+](C)CC1 ZINC001263829852 859216658 /nfs/dbraw/zinc/21/66/58/859216658.db2.gz BVRQCOSXTNZMHC-INIZCTEOSA-N 2 0 351.495 0.989 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270062046 859638884 /nfs/dbraw/zinc/63/88/84/859638884.db2.gz VNZQIYZGLJMEMC-OAHLLOKOSA-N 2 0 368.547 0.483 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC001270332506 859719192 /nfs/dbraw/zinc/71/91/92/859719192.db2.gz KKMXNBDHCAGWEJ-APWZRJJASA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CCCC2)CC[N@@H+]1C ZINC001270750338 859836959 /nfs/dbraw/zinc/83/69/59/859836959.db2.gz XNSXRMDRMNZXGD-OWCLPIDISA-N 2 0 371.547 0.780 20 0 FCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651462 859985055 /nfs/dbraw/zinc/98/50/55/859985055.db2.gz UIRFALRQMFVOAR-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001273405903 860480638 /nfs/dbraw/zinc/48/06/38/860480638.db2.gz WLKWOGGZCNNFEY-ROUUACIJSA-N 2 0 352.523 0.580 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273452926 860494092 /nfs/dbraw/zinc/49/40/92/860494092.db2.gz FSUFFWHCRCGBAG-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001273511916 860514410 /nfs/dbraw/zinc/51/44/10/860514410.db2.gz NIZUYAYLZNKJJY-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666124 860561364 /nfs/dbraw/zinc/56/13/64/860561364.db2.gz HAEITOVHMFNHBR-OAHLLOKOSA-N 2 0 368.547 0.483 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)C[NH+](CC)CC)C2 ZINC001273789596 860600751 /nfs/dbraw/zinc/60/07/51/860600751.db2.gz RNJCECAVTWMCAQ-MRXNPFEDSA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)C[NH+](CC)CC)C2 ZINC001273789595 860601030 /nfs/dbraw/zinc/60/10/30/860601030.db2.gz RNJCECAVTWMCAQ-INIZCTEOSA-N 2 0 352.523 0.977 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274178934 860699515 /nfs/dbraw/zinc/69/95/15/860699515.db2.gz JXNLYVXMQZBAJL-INIZCTEOSA-N 2 0 350.507 0.907 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001274405699 860744283 /nfs/dbraw/zinc/74/42/83/860744283.db2.gz ZDFSNGCBPDTUQD-UHFFFAOYSA-N 2 0 350.507 0.875 20 0 FCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C[C@H]2CC1 ZINC001275226448 860993683 /nfs/dbraw/zinc/99/36/83/860993683.db2.gz NXSHKEQTHHQRBW-WNKDZCFJSA-N 2 0 350.507 0.585 20 0 FCADRP COC(CN1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O)OC ZINC001275507875 861115586 /nfs/dbraw/zinc/11/55/86/861115586.db2.gz LEWITGTYTLVPSD-SFHVURJKSA-N 2 0 357.495 0.496 20 0 FCADRP CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556420 861127577 /nfs/dbraw/zinc/12/75/77/861127577.db2.gz KKPZKULVKIMSON-IBGZPJMESA-N 2 0 350.507 0.731 20 0 FCADRP COC(CN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275556436 861127720 /nfs/dbraw/zinc/12/77/20/861127720.db2.gz KTWPPNPSEXUYRZ-SFHVURJKSA-N 2 0 355.479 0.250 20 0 FCADRP COCCOCN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557040 861129561 /nfs/dbraw/zinc/12/95/61/861129561.db2.gz SZJUFPMPGONUJI-GOSISDBHSA-N 2 0 355.479 0.252 20 0 FCADRP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736120 861179002 /nfs/dbraw/zinc/17/90/02/861179002.db2.gz BHELYHMTQNLNQO-KBXCAEBGSA-N 2 0 353.463 0.241 20 0 FCADRP CC[C@@H](C(N)=O)N1CC[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736797 861180228 /nfs/dbraw/zinc/18/02/28/861180228.db2.gz HIFIZCXALWLKHF-LPHOPBHVSA-N 2 0 350.507 0.955 20 0 FCADRP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738457 861182124 /nfs/dbraw/zinc/18/21/24/861182124.db2.gz ZPBXCDSJRXSQAP-QGZVFWFLSA-N 2 0 357.520 0.345 20 0 FCADRP CC[NH+](CC)CCCNC(=S)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279992878 863170925 /nfs/dbraw/zinc/17/09/25/863170925.db2.gz FZTZZSZQEDNMLI-SFHVURJKSA-N 2 0 369.579 0.879 20 0 FCADRP COC[C@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053054 863220405 /nfs/dbraw/zinc/22/04/05/863220405.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 0 350.463 0.715 20 0 FCADRP C[NH+]1CCC(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280125506 863276546 /nfs/dbraw/zinc/27/65/46/863276546.db2.gz KXMPHSUGYIKDLU-QGZVFWFLSA-N 2 0 350.482 0.515 20 0 FCADRP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](COCCOC)C[C@H]12 ZINC001280176839 863308739 /nfs/dbraw/zinc/30/87/39/863308739.db2.gz NSHUYKVEFNBFES-HZPDHXFCSA-N 2 0 371.547 0.872 20 0 FCADRP C[C@H](O)C[N@@H+]1CCC[C@@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183453 863313668 /nfs/dbraw/zinc/31/36/68/863313668.db2.gz CDIJNXSYGQOIEJ-IEZWGBDMSA-N 2 0 351.491 0.545 20 0 FCADRP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@H+](C[C@H]4CCCO4)C[C@H]23)CC1 ZINC001280191154 863319720 /nfs/dbraw/zinc/31/97/20/863319720.db2.gz FGCZLKYDDLETFL-OWCLPIDISA-N 2 0 350.463 0.405 20 0 FCADRP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280210931 863339649 /nfs/dbraw/zinc/33/96/49/863339649.db2.gz JYKPRCPBPNGJRT-LSDHHAIUSA-N 2 0 350.463 0.168 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](CC(=O)N3CCC([NH+](C)C)CC3)O[C@H]2C1 ZINC001280218199 863343637 /nfs/dbraw/zinc/34/36/37/863343637.db2.gz GYEQIQIHJUBIDY-NJAFHUGGSA-N 2 0 352.523 0.580 20 0 FCADRP COCCN(C)C(=O)C1CC[NH+](C2CCN(CC[NH+](C)C)CC2)CC1 ZINC001280219919 863345175 /nfs/dbraw/zinc/34/51/75/863345175.db2.gz ZQIVPYVHWIELEI-UHFFFAOYSA-N 2 0 354.539 0.829 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280225736 863347906 /nfs/dbraw/zinc/34/79/06/863347906.db2.gz UWUULEHCFUXTJD-IAGOWNOFSA-N 2 0 351.539 0.012 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001280258213 863364118 /nfs/dbraw/zinc/36/41/18/863364118.db2.gz LKJPLMACDTXXCW-CVEARBPZSA-N 2 0 350.507 0.635 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC001282300777 864178503 /nfs/dbraw/zinc/17/85/03/864178503.db2.gz DQYPLJAFGFUEKA-IXDOHACOSA-N 2 0 352.523 0.975 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1)[NH+](C)C ZINC001289501051 865102389 /nfs/dbraw/zinc/10/23/89/865102389.db2.gz LTUZDLWUQZAMIR-BZUAXINKSA-N 2 0 354.495 0.153 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294457492 865836088 /nfs/dbraw/zinc/83/60/88/865836088.db2.gz MQZDKCATKUOJGI-SJLPKXTDSA-N 2 0 350.511 0.821 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001349802786 866449666 /nfs/dbraw/zinc/44/96/66/866449666.db2.gz MBEBOVOQXHIOCQ-AWEZNQCLSA-N 2 0 356.536 0.708 20 0 FCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001350016430 866491077 /nfs/dbraw/zinc/49/10/77/866491077.db2.gz ZYHSMPDHTFCQIJ-GASCZTMLSA-N 2 0 364.515 0.930 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001350742640 866675823 /nfs/dbraw/zinc/67/58/23/866675823.db2.gz HKJICERPPUOYDV-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001316697614 867405397 /nfs/dbraw/zinc/40/53/97/867405397.db2.gz UMLMQJCZDUATSG-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1)[NH+](C)C ZINC001316758597 867460005 /nfs/dbraw/zinc/46/00/05/867460005.db2.gz ITAGFXSVXBUUJF-PMPSAXMXSA-N 2 0 359.536 0.542 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001318696751 867728752 /nfs/dbraw/zinc/72/87/52/867728752.db2.gz SWSGLYSPPXYINP-GEEKYZPCSA-N 2 0 354.495 0.201 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(C)n1C ZINC001318832225 867759560 /nfs/dbraw/zinc/75/95/60/867759560.db2.gz AOUPIWNOZNLLRQ-HNNXBMFYSA-N 2 0 351.499 0.681 20 0 FCADRP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357431362 868114767 /nfs/dbraw/zinc/11/47/67/868114767.db2.gz TYWZASMRODTIHZ-MLGOLLRUSA-N 2 0 352.454 0.853 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546640 868511565 /nfs/dbraw/zinc/51/15/65/868511565.db2.gz HNEVHHDLXSHDCI-RHSMWYFYSA-N 2 0 354.520 0.237 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001321982026 868690826 /nfs/dbraw/zinc/69/08/26/868690826.db2.gz CRDLVNRTPDMPIS-QGZVFWFLSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001322286871 868781782 /nfs/dbraw/zinc/78/17/82/868781782.db2.gz QAIXVHIDSIBOOG-OAHLLOKOSA-N 2 0 373.563 0.837 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325706766 869994769 /nfs/dbraw/zinc/99/47/69/869994769.db2.gz YBOJLXHLKIZHGA-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC001325861297 870065499 /nfs/dbraw/zinc/06/54/99/870065499.db2.gz DESGIISDXGTWGP-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP O=S1(=O)CCC(O)(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001325877542 870072393 /nfs/dbraw/zinc/07/23/93/870072393.db2.gz FCVDYEQGFASGTK-UHFFFAOYSA-N 2 0 353.488 0.827 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+]([C@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539295 870371397 /nfs/dbraw/zinc/37/13/97/870371397.db2.gz LYDLRBYLOKVGFB-LMSBXDPUSA-N 2 0 351.491 0.985 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)NC(=O)N[C@@H]1C ZINC001326584292 870395636 /nfs/dbraw/zinc/39/56/36/870395636.db2.gz VFJXUIVLTFLCHZ-CYBMUJFWSA-N 2 0 350.463 0.971 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001343886866 870649845 /nfs/dbraw/zinc/64/98/45/870649845.db2.gz GTXADERYORSTDA-NUJGCVRESA-N 2 0 352.523 0.974 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21 ZINC001343935157 870674289 /nfs/dbraw/zinc/67/42/89/870674289.db2.gz MEFIRSKZVIRQLC-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001343966527 870689055 /nfs/dbraw/zinc/68/90/55/870689055.db2.gz HVMOQODFVWCJEI-DOTOQJQBSA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001327498167 870908840 /nfs/dbraw/zinc/90/88/40/870908840.db2.gz ICEFIRVKVCXNAB-KBPBESRZSA-N 2 0 363.428 0.702 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001345184324 871216941 /nfs/dbraw/zinc/21/69/41/871216941.db2.gz HPEMLTXYXGJWRY-CQSZACIVSA-N 2 0 356.536 0.578 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592362 871530160 /nfs/dbraw/zinc/53/01/60/871530160.db2.gz SCPPQRLOTPKTFX-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329023359 871780904 /nfs/dbraw/zinc/78/09/04/871780904.db2.gz KDSUYSNTIFYAMV-MRXNPFEDSA-N 2 0 350.507 0.779 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H]3[C@H]1CCC[N@@H+]3CCO)C2 ZINC001346537623 871891567 /nfs/dbraw/zinc/89/15/67/871891567.db2.gz KWCPJUVGJIKLHL-UONOGXRCSA-N 2 0 365.503 0.611 20 0 FCADRP C[C@](CN)([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001329491487 872065275 /nfs/dbraw/zinc/06/52/75/872065275.db2.gz TVDSUSQPIZTEOP-QGZVFWFLSA-N 2 0 368.503 0.100 20 0 FCADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001330006952 872415234 /nfs/dbraw/zinc/41/52/34/872415234.db2.gz CVRLSMILIIUXAI-ZACQAIPSSA-N 2 0 353.532 0.871 20 0 FCADRP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001330615348 872734032 /nfs/dbraw/zinc/73/40/32/872734032.db2.gz ODGISHXKDQCNRS-MRXNPFEDSA-N 2 0 354.405 0.966 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001330866751 872851557 /nfs/dbraw/zinc/85/15/57/872851557.db2.gz KJLDOIDBMOWJRC-IRXDYDNUSA-N 2 0 367.515 0.429 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)C[C@H]21 ZINC001331705962 873206135 /nfs/dbraw/zinc/20/61/35/873206135.db2.gz FHEHCRXGJOUUMI-WRWGMCAJSA-N 2 0 354.405 0.950 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331906810 873298960 /nfs/dbraw/zinc/29/89/60/873298960.db2.gz XNSPICAMOQUKER-DLBZAZTESA-N 2 0 353.511 0.163 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001331915047 873302352 /nfs/dbraw/zinc/30/23/52/873302352.db2.gz LZTBRHJLDUADOI-OFQRWUPVSA-N 2 0 360.524 0.133 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)N1 ZINC001332340792 873464379 /nfs/dbraw/zinc/46/43/79/873464379.db2.gz QKDGEMDSDLCGOK-VTPHYOBMSA-N 2 0 350.463 0.475 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001332673198 873610554 /nfs/dbraw/zinc/61/05/54/873610554.db2.gz QYEJBCJWCTWIDQ-LPHOPBHVSA-N 2 0 350.507 0.812 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@H]1C(F)(F)F ZINC001333352799 873919730 /nfs/dbraw/zinc/91/97/30/873919730.db2.gz NZEBSXRWUCJNAM-CMPLNLGQSA-N 2 0 360.384 0.802 20 0 FCADRP CC1(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001333618203 874010415 /nfs/dbraw/zinc/01/04/15/874010415.db2.gz KYHOZCIKHONOTE-INIZCTEOSA-N 2 0 353.511 0.224 20 0 FCADRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826193012 947589348 /nfs/dbraw/zinc/58/93/48/947589348.db2.gz MAKQGJJDKHMEPG-UHFFFAOYSA-N 2 0 359.478 0.945 20 0 FCADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703039 949306297 /nfs/dbraw/zinc/30/62/97/949306297.db2.gz PJFBWZIDSFGJIO-GFCCVEGCSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575264193 949420724 /nfs/dbraw/zinc/42/07/24/949420724.db2.gz MUDSHCYWBDKKAJ-RYUDHWBXSA-N 2 0 358.450 0.331 20 0 FCADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575268776 949525918 /nfs/dbraw/zinc/52/59/18/949525918.db2.gz PCAFVUFNMOZACQ-CHWSQXEVSA-N 2 0 372.477 0.721 20 0 FCADRP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717479 949735359 /nfs/dbraw/zinc/73/53/59/949735359.db2.gz WCNVCQFDCHAPHK-QWHCGFSZSA-N 2 0 358.450 0.284 20 0 FCADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574722706 949842020 /nfs/dbraw/zinc/84/20/20/949842020.db2.gz VRFDGBVNXMJVLO-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575285315 949940851 /nfs/dbraw/zinc/94/08/51/949940851.db2.gz MTWYKRJEUPZZOV-CQSZACIVSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576192671 950261330 /nfs/dbraw/zinc/26/13/30/950261330.db2.gz OSCOTCLVWQBVCK-AWEZNQCLSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574158030 950266921 /nfs/dbraw/zinc/26/69/21/950266921.db2.gz NBZDSFXAUWZJRG-UONOGXRCSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908122 950351454 /nfs/dbraw/zinc/35/14/54/950351454.db2.gz AKSGOHCKYDNFLR-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908399 950364473 /nfs/dbraw/zinc/36/44/73/950364473.db2.gz BWEMONMVOPDADP-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909608 950403676 /nfs/dbraw/zinc/40/36/76/950403676.db2.gz ZOKPAGBOKUCAGR-CJNGLKHVSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208995 950620829 /nfs/dbraw/zinc/62/08/29/950620829.db2.gz XZCPWPLIVOZSLU-KGLIPLIRSA-N 2 0 357.462 0.803 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570988631 950789714 /nfs/dbraw/zinc/78/97/14/950789714.db2.gz LLYVWOVWAVYWDI-GOEBONIOSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063302 951965166 /nfs/dbraw/zinc/96/51/66/951965166.db2.gz KGAOHPHUGRYFKH-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001571075867 952100689 /nfs/dbraw/zinc/10/06/89/952100689.db2.gz FRBCOFCVXFSDMM-UHFFFAOYSA-N 2 0 370.461 0.572 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077100 952116960 /nfs/dbraw/zinc/11/69/60/952116960.db2.gz YQZGWQOUKZLQBV-KPWCQOOUSA-N 2 0 370.461 0.616 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078864 952134877 /nfs/dbraw/zinc/13/48/77/952134877.db2.gz VQOVMSOFXWQFOW-XEZPLFJOSA-N 2 0 370.461 0.535 20 0 FCADRP Cc1cc(N2CC[C@](C)(NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078951 952136017 /nfs/dbraw/zinc/13/60/17/952136017.db2.gz YSNDJUFNTOUPJN-KDOFPFPSSA-N 2 0 370.461 0.749 20 0 FCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575147790 952200789 /nfs/dbraw/zinc/20/07/89/952200789.db2.gz WDRATCWXXZILQY-GFCCVEGCSA-N 2 0 358.450 0.427 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000291970316 214068943 /nfs/dbraw/zinc/06/89/43/214068943.db2.gz YEMPZUYLRCVXOL-SFHVURJKSA-N 2 0 367.494 0.524 20 0 FCADRP COc1cc(C[NH+](C)CCOCCO)cc(C[N@H+](C)CCOCCO)c1 ZINC000292944613 214132595 /nfs/dbraw/zinc/13/25/95/214132595.db2.gz NSCTWAXPMJVDJN-UHFFFAOYSA-N 2 0 370.490 0.577 20 0 FCADRP COc1cc(C[NH+](CCO)C[C@@H](C)O)cc(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000293331792 214165367 /nfs/dbraw/zinc/16/53/67/214165367.db2.gz MQEBNCUWYAVBLU-HZPDHXFCSA-N 2 0 370.490 0.045 20 0 FCADRP Cc1cc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn2ccnc12 ZINC000294027734 214218486 /nfs/dbraw/zinc/21/84/86/214218486.db2.gz ZZDGXFABNSJAOS-OAHLLOKOSA-N 2 0 371.441 0.762 20 0 FCADRP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2)C1 ZINC000410779412 529798602 /nfs/dbraw/zinc/79/86/02/529798602.db2.gz JTSAZAYRLMAKAI-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)C1 ZINC000410779411 529799299 /nfs/dbraw/zinc/79/92/99/529799299.db2.gz JTSAZAYRLMAKAI-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410841132 529861754 /nfs/dbraw/zinc/86/17/54/529861754.db2.gz GSAAZPDQAQTQHN-XLIONFOSSA-N 2 0 362.518 0.731 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000331484357 215003487 /nfs/dbraw/zinc/00/34/87/215003487.db2.gz UPJFWOUYHPOVPW-IKGGRYGDSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000331552713 215014085 /nfs/dbraw/zinc/01/40/85/215014085.db2.gz WZEKXZSBPLUTPH-CFAJVAMVSA-N 2 0 354.520 0.126 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)([NH+](C)C)C1 ZINC000331886219 215061612 /nfs/dbraw/zinc/06/16/12/215061612.db2.gz CZJCOOFYFKXXPO-OLMMMNRUSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000331945268 215070301 /nfs/dbraw/zinc/07/03/01/215070301.db2.gz HBHBBBKVRLLBQD-RDJZCZTQSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000331951930 215072333 /nfs/dbraw/zinc/07/23/33/215072333.db2.gz OZLDMCAMHLNJMZ-IBGZPJMESA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000331999914 215077601 /nfs/dbraw/zinc/07/76/01/215077601.db2.gz BOJKFZRQICKRHR-KKUMJFAQSA-N 2 0 352.479 0.084 20 0 FCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332133188 215099412 /nfs/dbraw/zinc/09/94/12/215099412.db2.gz IPVQGKPYBSLCIB-RDHHWEPZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000332246268 215115408 /nfs/dbraw/zinc/11/54/08/215115408.db2.gz AYCHSUYXBXXCBZ-RDJZCZTQSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000332246265 215115623 /nfs/dbraw/zinc/11/56/23/215115623.db2.gz AYCHSUYXBXXCBZ-DOTOQJQBSA-N 2 0 350.507 0.907 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000332297803 215125391 /nfs/dbraw/zinc/12/53/91/215125391.db2.gz FMMCZTOCFAEQAP-QEJZJMRPSA-N 2 0 350.507 0.998 20 0 FCADRP CC1(C)CC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000332297801 215125455 /nfs/dbraw/zinc/12/54/55/215125455.db2.gz FMMCZTOCFAEQAP-CFVMTHIKSA-N 2 0 350.507 0.998 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334816 215132878 /nfs/dbraw/zinc/13/28/78/215132878.db2.gz VNXJZVYKCULIQX-BZZMCLGOSA-N 2 0 358.486 0.738 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000332386479 215142165 /nfs/dbraw/zinc/14/21/65/215142165.db2.gz YCRMOUDDSDTLFF-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000332386487 215142972 /nfs/dbraw/zinc/14/29/72/215142972.db2.gz YCRMOUDDSDTLFF-PVAVHDDUSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332375782 215140028 /nfs/dbraw/zinc/14/00/28/215140028.db2.gz RMGZSXNDGWMQJZ-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000332420115 215149812 /nfs/dbraw/zinc/14/98/12/215149812.db2.gz BQCDNDVIOXUJEN-MWDXBVQZSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000332446635 215153481 /nfs/dbraw/zinc/15/34/81/215153481.db2.gz DXQUUPRBHPSDCY-HZPDHXFCSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[C@H]1[NH3+] ZINC000332521210 215165604 /nfs/dbraw/zinc/16/56/04/215165604.db2.gz ACEVWASPSRQGQC-DOTOQJQBSA-N 2 0 350.507 0.907 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000332501721 215161973 /nfs/dbraw/zinc/16/19/73/215161973.db2.gz WFAZVMILOZFCMA-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000332538728 215173365 /nfs/dbraw/zinc/17/33/65/215173365.db2.gz JWEHTOAKPGXMLR-RDJZCZTQSA-N 2 0 366.506 0.001 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000332549378 215177577 /nfs/dbraw/zinc/17/75/77/215177577.db2.gz IVKSQUOAIQWNHO-KRWDZBQOSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332575150 215183199 /nfs/dbraw/zinc/18/31/99/215183199.db2.gz YPKHHFCJFATCLF-QGZVFWFLSA-N 2 0 366.506 0.110 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000332614488 215190532 /nfs/dbraw/zinc/19/05/32/215190532.db2.gz AVPCZQPCGIZAAZ-UAGQMJEPSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000332592757 215186603 /nfs/dbraw/zinc/18/66/03/215186603.db2.gz MIXMSDYVRRBAQT-NVXWUHKLSA-N 2 0 350.507 0.918 20 0 FCADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333095719 215236037 /nfs/dbraw/zinc/23/60/37/215236037.db2.gz DARQHCCTTUHPAB-SJORKVTESA-N 2 0 355.438 0.983 20 0 FCADRP [NH3+]C1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333133867 215241418 /nfs/dbraw/zinc/24/14/18/215241418.db2.gz BHCKREJVOYFLFS-RJFAQORQSA-N 2 0 361.534 0.829 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)C[N@@H+]1C1CC1 ZINC000333214699 215251295 /nfs/dbraw/zinc/25/12/95/215251295.db2.gz CGMQWCLJQRTPNJ-NFAWXSAZSA-N 2 0 353.467 0.489 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CC(C)(C)O ZINC000333282120 215258664 /nfs/dbraw/zinc/25/86/64/215258664.db2.gz PPSNVYZJOQTAFK-RHSMWYFYSA-N 2 0 358.552 0.910 20 0 FCADRP CS[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1[NH+](C)C ZINC000333365831 215271053 /nfs/dbraw/zinc/27/10/53/215271053.db2.gz UIHCSXBWUILSGO-UONOGXRCSA-N 2 0 365.507 0.396 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000333381183 215272119 /nfs/dbraw/zinc/27/21/19/215272119.db2.gz NORIXNFGGWVSIG-MRXNPFEDSA-N 2 0 351.495 0.465 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@@H]21 ZINC000333473145 215285588 /nfs/dbraw/zinc/28/55/88/215285588.db2.gz BBWWNIXMAOZJCY-RQJABVFESA-N 2 0 363.428 0.591 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000333494938 215290299 /nfs/dbraw/zinc/29/02/99/215290299.db2.gz DSZNXIFLJGYXPW-MGPQQGTHSA-N 2 0 363.428 0.558 20 0 FCADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644632 215305395 /nfs/dbraw/zinc/30/53/95/215305395.db2.gz XXOVHPKISNXSOQ-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000333648125 215305407 /nfs/dbraw/zinc/30/54/07/215305407.db2.gz YMQQTPWLRDTHPZ-CQSZACIVSA-N 2 0 367.519 0.795 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000333664303 215306955 /nfs/dbraw/zinc/30/69/55/215306955.db2.gz BMTINEUZPAHQIN-MWDXBVQZSA-N 2 0 350.507 0.966 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C[C@@H]21 ZINC000333784604 215318280 /nfs/dbraw/zinc/31/82/80/215318280.db2.gz CEQKWBLXMKEKMU-SJORKVTESA-N 2 0 358.490 0.679 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832985 215323544 /nfs/dbraw/zinc/32/35/44/215323544.db2.gz MUNGXRQFCXCDOE-ZWKOTPCHSA-N 2 0 367.538 0.422 20 0 FCADRP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333824299 215323693 /nfs/dbraw/zinc/32/36/93/215323693.db2.gz LIPFAKGKNYZZKN-HOTGVXAUSA-N 2 0 353.511 0.570 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852285 215324032 /nfs/dbraw/zinc/32/40/32/215324032.db2.gz QFXNNXZKYKCQCE-FGTMMUONSA-N 2 0 367.538 0.563 20 0 FCADRP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NC(=O)NC1CCCCC1 ZINC000333853432 215324258 /nfs/dbraw/zinc/32/42/58/215324258.db2.gz OBHJIAZXRSUVPL-CVEARBPZSA-N 2 0 364.490 0.845 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCCC1 ZINC000333929957 215332489 /nfs/dbraw/zinc/33/24/89/215332489.db2.gz YSKGLXRXGMPTHQ-OAHLLOKOSA-N 2 0 351.495 0.467 20 0 FCADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)[N@H+]1CCO ZINC000334000378 215336082 /nfs/dbraw/zinc/33/60/82/215336082.db2.gz RELUAWDGGFHNBM-CYGHRXIMSA-N 2 0 368.522 0.461 20 0 FCADRP C[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)(N2CCOCC2)CC1 ZINC000334134120 215347077 /nfs/dbraw/zinc/34/70/77/215347077.db2.gz WYZVCEHSVIWMOJ-KRWDZBQOSA-N 2 0 365.522 0.273 20 0 FCADRP C[N@H+](CCN1C(=O)CCC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285491439 213349853 /nfs/dbraw/zinc/34/98/53/213349853.db2.gz PIYAKFTXQXSKNE-UHFFFAOYSA-N 2 0 358.486 0.885 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000285402827 213336965 /nfs/dbraw/zinc/33/69/65/213336965.db2.gz XIEFTXJJTAKDDB-QGZVFWFLSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@H+](CCN1C(=O)CNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285343881 213327848 /nfs/dbraw/zinc/32/78/48/213327848.db2.gz DAFWQQBKQIIFRF-UHFFFAOYSA-N 2 0 359.474 0.288 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000285261646 213313356 /nfs/dbraw/zinc/31/33/56/213313356.db2.gz ZQUWNKOEYKKOAY-WBVHZDCISA-N 2 0 358.486 0.976 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000284540368 213164577 /nfs/dbraw/zinc/16/45/77/213164577.db2.gz SHMOVUNLIFFCOW-HNNXBMFYSA-N 2 0 364.490 0.700 20 0 FCADRP CN(C)C(=O)[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411936269 237115654 /nfs/dbraw/zinc/11/56/54/237115654.db2.gz FKNNCQFMPBGTPB-IRXDYDNUSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764496 216027486 /nfs/dbraw/zinc/02/74/86/216027486.db2.gz WAZXMCNXHDCORE-RBUKOAKNSA-N 2 0 361.486 0.631 20 0 FCADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)ccc2oc1=O ZINC000367051883 216069046 /nfs/dbraw/zinc/06/90/46/216069046.db2.gz FPBWGCNFEZANKO-INIZCTEOSA-N 2 0 373.457 0.485 20 0 FCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367648377 216146330 /nfs/dbraw/zinc/14/63/30/216146330.db2.gz HTPSDNZMSGMYJA-OAHLLOKOSA-N 2 0 359.536 0.782 20 0 FCADRP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1cnc(N(C)C)n1C ZINC000367760588 216157085 /nfs/dbraw/zinc/15/70/85/216157085.db2.gz KZVKTWQTBMAZCU-ZIAGYGMSSA-N 2 0 350.467 0.491 20 0 FCADRP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1cnc(N(C)C)n1C ZINC000367760585 216157844 /nfs/dbraw/zinc/15/78/44/216157844.db2.gz KZVKTWQTBMAZCU-KBPBESRZSA-N 2 0 350.467 0.491 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000367999767 216190430 /nfs/dbraw/zinc/19/04/30/216190430.db2.gz VYJQCCHNNIKRHF-DZKIICNBSA-N 2 0 355.479 0.615 20 0 FCADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCCCN2CCOCC2)C[C@H](C)O1 ZINC000246416359 209386898 /nfs/dbraw/zinc/38/68/98/209386898.db2.gz LQSPDDZLMIZPBP-FGTMMUONSA-N 2 0 368.522 0.992 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCCN1CC[NH2+]CC1 ZINC000238025132 209362608 /nfs/dbraw/zinc/36/26/08/209362608.db2.gz FXIVAOVADJHJKH-UHFFFAOYSA-N 2 0 359.518 0.610 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3CC[NH2+]CC3)c2)C1 ZINC000237933331 209361080 /nfs/dbraw/zinc/36/10/80/209361080.db2.gz BMRRROCBFIJYCY-SFHVURJKSA-N 2 0 358.486 1.000 20 0 FCADRP C[C@H](CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237543707 209353835 /nfs/dbraw/zinc/35/38/35/209353835.db2.gz CBVVEBGBIUCSMW-CABCVRRESA-N 2 0 364.494 0.525 20 0 FCADRP Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nnn1C1CC[NH2+]CC1 ZINC000236794876 209344683 /nfs/dbraw/zinc/34/46/83/209344683.db2.gz QHNAOQFEEKQMFO-INIZCTEOSA-N 2 0 364.494 0.598 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)CC1=O ZINC000368598134 216269546 /nfs/dbraw/zinc/26/95/46/216269546.db2.gz MQCUDTUSXGLMGN-XSDHEKCYSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1CC(C)(C)O ZINC000368704758 216285160 /nfs/dbraw/zinc/28/51/60/216285160.db2.gz UNBDIPBXQRHAFG-OAGGEKHMSA-N 2 0 354.495 0.336 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000369025479 216332377 /nfs/dbraw/zinc/33/23/77/216332377.db2.gz DUHVLJXTNAENJD-GVDBMIGSSA-N 2 0 354.495 0.506 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369027359 216334524 /nfs/dbraw/zinc/33/45/24/216334524.db2.gz LQLAJICQPSUTOJ-ROUUACIJSA-N 2 0 367.538 0.567 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038727 216339086 /nfs/dbraw/zinc/33/90/86/216339086.db2.gz OMFSYZRCXHLMSK-CVEARBPZSA-N 2 0 354.495 0.014 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1cccnn1 ZINC000277522288 212368461 /nfs/dbraw/zinc/36/84/61/212368461.db2.gz BEBFJYHFIIYBPF-UHFFFAOYSA-N 2 0 355.446 0.883 20 0 FCADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276638102 212268729 /nfs/dbraw/zinc/26/87/29/212268729.db2.gz LWQSYWYAUZSLLF-KZNAEPCWSA-N 2 0 373.501 0.165 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000186623876 209193924 /nfs/dbraw/zinc/19/39/24/209193924.db2.gz BZPXZVBMKVPFPL-HZPDHXFCSA-N 2 0 355.527 0.109 20 0 FCADRP C[NH+](C)CC1(O)CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000931480922 674116899 /nfs/dbraw/zinc/11/68/99/674116899.db2.gz AAMVRONGACYWKT-UHFFFAOYSA-N 2 0 369.531 0.837 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000414660828 245308721 /nfs/dbraw/zinc/30/87/21/245308721.db2.gz NPHHNGCYTVVNIT-QGZVFWFLSA-N 2 0 362.474 0.818 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000414684434 245311735 /nfs/dbraw/zinc/31/17/35/245311735.db2.gz VRNSWCYEJLZTEA-GASCZTMLSA-N 2 0 362.474 0.960 20 0 FCADRP COc1ccc(OC)c(C[N@H+](CCO)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414689867 245311972 /nfs/dbraw/zinc/31/19/72/245311972.db2.gz GUBJSUROKXUISX-HNNXBMFYSA-N 2 0 365.474 0.695 20 0 FCADRP C[C@H]1C[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742665 245318228 /nfs/dbraw/zinc/31/82/28/245318228.db2.gz NSVXPKYKYNSGKZ-IRXDYDNUSA-N 2 0 360.506 0.823 20 0 FCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000414765760 245322466 /nfs/dbraw/zinc/32/24/66/245322466.db2.gz CJECESJTKYMXOM-MRXNPFEDSA-N 2 0 362.474 0.914 20 0 FCADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000414838262 245325578 /nfs/dbraw/zinc/32/55/78/245325578.db2.gz LEKYPXDALBVFGK-HNNXBMFYSA-N 2 0 365.474 0.878 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@@H+]1C1CC1 ZINC000414946382 245337995 /nfs/dbraw/zinc/33/79/95/245337995.db2.gz TXEYGIQUYKHGDN-WFASDCNBSA-N 2 0 358.442 0.849 20 0 FCADRP [NH3+]CCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000415273661 245373019 /nfs/dbraw/zinc/37/30/19/245373019.db2.gz XFXGMYXOURRMNG-UHFFFAOYSA-N 2 0 361.446 0.515 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415305777 245381388 /nfs/dbraw/zinc/38/13/88/245381388.db2.gz JPJYZRONPSEQBF-UHFFFAOYSA-N 2 0 356.854 0.945 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415319026 245383779 /nfs/dbraw/zinc/38/37/79/245383779.db2.gz SAEJKZGWRCGNJE-INIZCTEOSA-N 2 0 373.501 0.944 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000415329805 245386850 /nfs/dbraw/zinc/38/68/50/245386850.db2.gz NKADFLNDKCRCRB-QGZVFWFLSA-N 2 0 359.474 0.241 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442699 217019852 /nfs/dbraw/zinc/01/98/52/217019852.db2.gz VZLWIJIIRXTAKF-OGWOLHLISA-N 2 0 352.523 0.804 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000415331311 245390079 /nfs/dbraw/zinc/39/00/79/245390079.db2.gz MACLCNTWTPLKNT-OAHLLOKOSA-N 2 0 362.474 0.990 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1COCCN1C1CCCC1 ZINC000373526405 217028247 /nfs/dbraw/zinc/02/82/47/217028247.db2.gz CRHXRPSEWZIPEU-QZTJIDSGSA-N 2 0 353.507 0.983 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000415359928 245398603 /nfs/dbraw/zinc/39/86/03/245398603.db2.gz YXHXERLXZQOOKS-INIZCTEOSA-N 2 0 373.501 0.583 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1=O ZINC000374061628 217091458 /nfs/dbraw/zinc/09/14/58/217091458.db2.gz OGSAPPUXWLWMNX-MRXNPFEDSA-N 2 0 350.507 0.731 20 0 FCADRP COC(=O)[C@]1(C)C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000374368633 217123204 /nfs/dbraw/zinc/12/32/04/217123204.db2.gz ZPMOICKWWVBVEN-JTDSTZFVSA-N 2 0 369.506 0.590 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccn1C1CC[NH2+]CC1 ZINC000374524066 217140226 /nfs/dbraw/zinc/14/02/26/217140226.db2.gz UUPCLQOLCGWJDT-HNNXBMFYSA-N 2 0 373.423 0.979 20 0 FCADRP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000183968419 209154728 /nfs/dbraw/zinc/15/47/28/209154728.db2.gz MHCNDOZLEAVZTQ-UHFFFAOYSA-N 2 0 362.518 0.938 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000415566410 245436707 /nfs/dbraw/zinc/43/67/07/245436707.db2.gz PKJKHBKQXKPOPT-ZIAGYGMSSA-N 2 0 362.478 0.687 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375240553 217237688 /nfs/dbraw/zinc/23/76/88/217237688.db2.gz XOHAPBOJCZQLQY-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000416955188 245656140 /nfs/dbraw/zinc/65/61/40/245656140.db2.gz WTVKUMWTZWPAMO-WBVHZDCISA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000417856613 245731390 /nfs/dbraw/zinc/73/13/90/245731390.db2.gz MZXSMLRTYXMRIM-CABCVRRESA-N 2 0 355.527 0.992 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000418026584 245745498 /nfs/dbraw/zinc/74/54/98/245745498.db2.gz WEWWYAVCTXOTFD-INIZCTEOSA-N 2 0 356.511 0.742 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418193125 245768039 /nfs/dbraw/zinc/76/80/39/245768039.db2.gz NGSQTIPDWHDMSP-UHFFFAOYSA-N 2 0 364.494 0.117 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418501678 245793501 /nfs/dbraw/zinc/79/35/01/245793501.db2.gz RTTXXAYBSHZBQO-KRWDZBQOSA-N 2 0 367.538 0.993 20 0 FCADRP CC1(C)CNC(=O)[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652221 674127199 /nfs/dbraw/zinc/12/71/99/674127199.db2.gz NXJPTCZXJVETNA-KBPBESRZSA-N 2 0 368.598 0.923 20 0 FCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418805432 245834010 /nfs/dbraw/zinc/83/40/10/245834010.db2.gz NINZNMBYRYJGCZ-INIZCTEOSA-N 2 0 366.506 0.193 20 0 FCADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418940805 245918812 /nfs/dbraw/zinc/91/88/12/245918812.db2.gz UKYLHGVJVXPRRU-DLBZAZTESA-N 2 0 350.507 0.827 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2nccn2CCc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419156275 246022648 /nfs/dbraw/zinc/02/26/48/246022648.db2.gz SVVNKAGUIIEKAS-IYBDPMFKSA-N 2 0 369.469 0.951 20 0 FCADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419135398 246008650 /nfs/dbraw/zinc/00/86/50/246008650.db2.gz MMRNKOPKPFOQLB-ROUUACIJSA-N 2 0 374.485 0.262 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C(C)(C)C ZINC000419135496 246008667 /nfs/dbraw/zinc/00/86/67/246008667.db2.gz MXWLXJPRBMDXGL-INIZCTEOSA-N 2 0 370.538 0.825 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419139977 246012090 /nfs/dbraw/zinc/01/20/90/246012090.db2.gz VGHHEGQWXHGRNE-PXNSSMCTSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419144907 246012855 /nfs/dbraw/zinc/01/28/55/246012855.db2.gz GZUPEWFPOSLERJ-CABCVRRESA-N 2 0 364.515 0.897 20 0 FCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419163484 246025879 /nfs/dbraw/zinc/02/58/79/246025879.db2.gz WRBWNRMQSQZWQB-QZTJIDSGSA-N 2 0 374.485 0.353 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419145344 246015590 /nfs/dbraw/zinc/01/55/90/246015590.db2.gz AEYCLYCQLYBWFJ-GOSISDBHSA-N 2 0 360.502 0.735 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419146086 246015718 /nfs/dbraw/zinc/01/57/18/246015718.db2.gz HLRQEZNWVYUESP-ARFHVFGLSA-N 2 0 354.495 0.188 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165932 246027768 /nfs/dbraw/zinc/02/77/68/246027768.db2.gz GXEBZZSMOFNLON-RBUKOAKNSA-N 2 0 372.513 0.878 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419165934 246028514 /nfs/dbraw/zinc/02/85/14/246028514.db2.gz GXEBZZSMOFNLON-RTBURBONSA-N 2 0 372.513 0.878 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419172825 246032015 /nfs/dbraw/zinc/03/20/15/246032015.db2.gz RRHFYEASIQEHEE-RTBURBONSA-N 2 0 372.513 0.783 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000419175757 246035933 /nfs/dbraw/zinc/03/59/33/246035933.db2.gz YAHPGBWIYYKRMC-KRWDZBQOSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419180813 246038732 /nfs/dbraw/zinc/03/87/32/246038732.db2.gz ARGIYOATXZPHRU-CYBMUJFWSA-N 2 0 350.438 0.617 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1(C)C ZINC000419184379 246041048 /nfs/dbraw/zinc/04/10/48/246041048.db2.gz NPMYXUJAOLZMNG-MRXNPFEDSA-N 2 0 367.538 0.152 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419212613 246057562 /nfs/dbraw/zinc/05/75/62/246057562.db2.gz UWIVRXWFCQJPNQ-FXAWDEMLSA-N 2 0 358.486 0.965 20 0 FCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419214046 246058345 /nfs/dbraw/zinc/05/83/45/246058345.db2.gz MCNCEMWLFGGJKW-UHFFFAOYSA-N 2 0 364.490 0.687 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419214964 246060351 /nfs/dbraw/zinc/06/03/51/246060351.db2.gz NITLZYYVFLOZNH-IRXDYDNUSA-N 2 0 374.485 0.311 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419224469 246063682 /nfs/dbraw/zinc/06/36/82/246063682.db2.gz FMXANBRUTBCMER-WMLDXEAASA-N 2 0 350.507 0.953 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000419227840 246066358 /nfs/dbraw/zinc/06/63/58/246066358.db2.gz LJNWLKGWHZBZKU-GVDBMIGSSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000419201813 246051150 /nfs/dbraw/zinc/05/11/50/246051150.db2.gz GNWHILYZNCMGIJ-HZPDHXFCSA-N 2 0 362.474 0.629 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419208015 246054354 /nfs/dbraw/zinc/05/43/54/246054354.db2.gz NQIDMTZBPZGVAI-RYRKJORJSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCC1 ZINC000419243681 246074067 /nfs/dbraw/zinc/07/40/67/246074067.db2.gz SVRZCUORZMNSPK-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419249745 246077243 /nfs/dbraw/zinc/07/72/43/246077243.db2.gz PLVGCAMRQQHQEA-CBZIJGRNSA-N 2 0 360.502 0.970 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329508 246099755 /nfs/dbraw/zinc/09/97/55/246099755.db2.gz GPNPAAFLOHSXLU-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000419337703 246103623 /nfs/dbraw/zinc/10/36/23/246103623.db2.gz BMUXQSXYQBHVTN-XHSDSOJGSA-N 2 0 364.515 0.925 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419336333 246104522 /nfs/dbraw/zinc/10/45/22/246104522.db2.gz ACXZHKZLAUUSJO-DLBZAZTESA-N 2 0 368.522 0.354 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000419370481 246122216 /nfs/dbraw/zinc/12/22/16/246122216.db2.gz JPOUNNQGLHMESE-IRXDYDNUSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Cc1ccccc1 ZINC000419371487 246123050 /nfs/dbraw/zinc/12/30/50/246123050.db2.gz KXNLXRFKCMYNNT-SJLPKXTDSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000419371979 246123565 /nfs/dbraw/zinc/12/35/65/246123565.db2.gz LWCLUCFJDLJDLU-SJLPKXTDSA-N 2 0 360.502 0.876 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Cc1ccccc1 ZINC000419371967 246123685 /nfs/dbraw/zinc/12/36/85/246123685.db2.gz LUXNYLLUCCQTHY-GOSISDBHSA-N 2 0 360.502 0.878 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377699 246124663 /nfs/dbraw/zinc/12/46/63/246124663.db2.gz UGOACRBWQGADHO-YOEHRIQHSA-N 2 0 358.486 0.459 20 0 FCADRP O=C(NCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419390287 246130572 /nfs/dbraw/zinc/13/05/72/246130572.db2.gz ILNNSXROOMSINQ-QXAKKESOSA-N 2 0 370.497 0.665 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000419386667 246128313 /nfs/dbraw/zinc/12/83/13/246128313.db2.gz BVYLCXDCNGCXNM-HOTGVXAUSA-N 2 0 362.499 0.280 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419412790 246147662 /nfs/dbraw/zinc/14/76/62/246147662.db2.gz RJBSAIXIPBWSSN-ZWKOTPCHSA-N 2 0 358.486 0.889 20 0 FCADRP O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419389948 246131066 /nfs/dbraw/zinc/13/10/66/246131066.db2.gz FTJYQYPGHWEDAD-HZPDHXFCSA-N 2 0 362.499 0.198 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403872 246136486 /nfs/dbraw/zinc/13/64/86/246136486.db2.gz SAOVTMXHIKTXKA-CGTJXYLNSA-N 2 0 374.485 0.118 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402360 246136836 /nfs/dbraw/zinc/13/68/36/246136836.db2.gz CHTYJBZIGGTYLC-HOCLYGCPSA-N 2 0 368.522 0.986 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419412018 246145754 /nfs/dbraw/zinc/14/57/54/246145754.db2.gz CGNGUAIHAVFGFW-NVXWUHKLSA-N 2 0 358.486 0.747 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419417010 246150769 /nfs/dbraw/zinc/15/07/69/246150769.db2.gz HOZKSMXENBIDCB-YYIAUSFCSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419422585 246153973 /nfs/dbraw/zinc/15/39/73/246153973.db2.gz QTESYMBJCFXSOY-UHFFFAOYSA-N 2 0 373.501 0.137 20 0 FCADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419421083 246154067 /nfs/dbraw/zinc/15/40/67/246154067.db2.gz KVNBEVLDVJPCKD-SFHVURJKSA-N 2 0 372.513 0.911 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419424425 246157310 /nfs/dbraw/zinc/15/73/10/246157310.db2.gz OAAQIZBNLYOBBX-INIZCTEOSA-N 2 0 358.486 0.667 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419428470 246158599 /nfs/dbraw/zinc/15/85/99/246158599.db2.gz STYRJFRKHAQPKA-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419430907 246160226 /nfs/dbraw/zinc/16/02/26/246160226.db2.gz WPTXBTCGRFHQFG-NRFANRHFSA-N 2 0 370.497 0.763 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419433996 246161696 /nfs/dbraw/zinc/16/16/96/246161696.db2.gz ZYTKJFBVBIRPJS-SJORKVTESA-N 2 0 360.458 0.044 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)NCC[NH3+])CC2)c1 ZINC000419499468 246182632 /nfs/dbraw/zinc/18/26/32/246182632.db2.gz BPGGMWWVKFVXFP-UHFFFAOYSA-N 2 0 361.490 0.088 20 0 FCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419523158 246189633 /nfs/dbraw/zinc/18/96/33/246189633.db2.gz AGCDWUXAFCZXQU-IRXDYDNUSA-N 2 0 362.474 0.372 20 0 FCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419523157 246190325 /nfs/dbraw/zinc/19/03/25/246190325.db2.gz AGCDWUXAFCZXQU-IAGOWNOFSA-N 2 0 362.474 0.372 20 0 FCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419470504 246173590 /nfs/dbraw/zinc/17/35/90/246173590.db2.gz FLRXDFROEZVNAS-NJAFHUGGSA-N 2 0 358.486 0.963 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419479573 246179570 /nfs/dbraw/zinc/17/95/70/246179570.db2.gz LXFFEJFYNSICFK-OAHLLOKOSA-N 2 0 354.495 0.109 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419539282 246197828 /nfs/dbraw/zinc/19/78/28/246197828.db2.gz YJBJFKFMNVCITI-MXSMSXNCSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCC[N@@H+]1C ZINC000419539311 246197987 /nfs/dbraw/zinc/19/79/87/246197987.db2.gz AXWACODMZPKKON-DZUCGIPZSA-N 2 0 366.506 0.330 20 0 FCADRP C[C@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@@H+]1C ZINC000419560565 246202245 /nfs/dbraw/zinc/20/22/45/246202245.db2.gz RGJDGLYDUZNOIH-CTJSOFNSSA-N 2 0 362.518 0.855 20 0 FCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419652359 246230457 /nfs/dbraw/zinc/23/04/57/246230457.db2.gz DXFRZWBRIKQSBF-AWEZNQCLSA-N 2 0 350.463 0.091 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419723097 246269250 /nfs/dbraw/zinc/26/92/50/246269250.db2.gz NMFVDQQYJJPXSG-HOTGVXAUSA-N 2 0 358.486 0.976 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000419669143 246239162 /nfs/dbraw/zinc/23/91/62/246239162.db2.gz ZFXDIIJEWRZXFC-HNNXBMFYSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000419689575 246251739 /nfs/dbraw/zinc/25/17/39/246251739.db2.gz JFPSVPBZSRQYMR-GJZGRUSLSA-N 2 0 368.547 0.721 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419695282 246255183 /nfs/dbraw/zinc/25/51/83/246255183.db2.gz KSWZHHWWEIMNET-IXDOHACOSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000419703293 246259212 /nfs/dbraw/zinc/25/92/12/246259212.db2.gz DEBFMKGQMQUZAX-HPBDAGMYSA-N 2 0 356.470 0.586 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000419710884 246264261 /nfs/dbraw/zinc/26/42/61/246264261.db2.gz RFEFTKAGPJOMPJ-RYQLBKOJSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000419759540 246285509 /nfs/dbraw/zinc/28/55/09/246285509.db2.gz XTMYOSQSRQKIAI-CQSZACIVSA-N 2 0 354.495 0.202 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000419758261 246286287 /nfs/dbraw/zinc/28/62/87/246286287.db2.gz JTDAMSFEGNFSMM-XJKSGUPXSA-N 2 0 350.438 0.569 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758238 246286304 /nfs/dbraw/zinc/28/63/04/246286304.db2.gz JQGJVKKZLYKODJ-ZFWWWQNUSA-N 2 0 350.438 0.569 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419757151 246286364 /nfs/dbraw/zinc/28/63/64/246286364.db2.gz IAEBTNIOJDJXJT-GOSISDBHSA-N 2 0 350.438 0.571 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419755541 246286704 /nfs/dbraw/zinc/28/67/04/246286704.db2.gz DJQSWCZHNHHEAQ-HOTGVXAUSA-N 2 0 362.449 0.442 20 0 FCADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419755866 246287431 /nfs/dbraw/zinc/28/74/31/246287431.db2.gz FNARFYRWODLRHW-GOEBONIOSA-N 2 0 364.465 0.878 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000419760351 246288480 /nfs/dbraw/zinc/28/84/80/246288480.db2.gz NQMSECSYGRDKJF-INIZCTEOSA-N 2 0 364.465 0.832 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419766238 246292298 /nfs/dbraw/zinc/29/22/98/246292298.db2.gz RLHKJNDEYHSYKG-MAUKXSAKSA-N 2 0 358.486 0.834 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+]2CCCC2)cc1 ZINC000419806970 246302313 /nfs/dbraw/zinc/30/23/13/246302313.db2.gz FRDPEZZORACTGH-KRWDZBQOSA-N 2 0 374.485 0.946 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419814093 246303638 /nfs/dbraw/zinc/30/36/38/246303638.db2.gz KFNBIKBZIQPHTQ-AEFFLSMTSA-N 2 0 374.485 0.898 20 0 FCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CCO1 ZINC000419810524 246303902 /nfs/dbraw/zinc/30/39/02/246303902.db2.gz XELIQOYZOZUEHT-HNNXBMFYSA-N 2 0 366.506 0.476 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419820631 246305518 /nfs/dbraw/zinc/30/55/18/246305518.db2.gz OENHWWXFVDVBPE-MAUKXSAKSA-N 2 0 374.485 0.756 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419820635 246305939 /nfs/dbraw/zinc/30/59/39/246305939.db2.gz OENHWWXFVDVBPE-YJBOKZPZSA-N 2 0 374.485 0.756 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000419823979 246307188 /nfs/dbraw/zinc/30/71/88/246307188.db2.gz QHBFAJSTYJQHPA-MAUKXSAKSA-N 2 0 374.485 0.769 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000419825988 246307992 /nfs/dbraw/zinc/30/79/92/246307992.db2.gz RSIHSEFYUNNNQQ-SJLPKXTDSA-N 2 0 374.485 0.898 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000419823984 246308630 /nfs/dbraw/zinc/30/86/30/246308630.db2.gz QHBFAJSTYJQHPA-YJBOKZPZSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419837457 246313316 /nfs/dbraw/zinc/31/33/16/246313316.db2.gz CXIYQJXGBHJTQP-KRWDZBQOSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419840597 246315108 /nfs/dbraw/zinc/31/51/08/246315108.db2.gz DJQVAXWLBGSVOU-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000419843770 246316981 /nfs/dbraw/zinc/31/69/81/246316981.db2.gz BGCXWGUEILDNRM-IRXDYDNUSA-N 2 0 359.474 0.230 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000419846711 246317838 /nfs/dbraw/zinc/31/78/38/246317838.db2.gz AHIIYTAOTHBAEN-VQIMIIECSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000419846698 246317976 /nfs/dbraw/zinc/31/79/76/246317976.db2.gz AHIIYTAOTHBAEN-APWZRJJASA-N 2 0 367.538 0.025 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419844375 246318442 /nfs/dbraw/zinc/31/84/42/246318442.db2.gz OAGRAZGFCWOCLI-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419846676 246318490 /nfs/dbraw/zinc/31/84/90/246318490.db2.gz QGVAXTPHQAQNMV-IYBDPMFKSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846402 246318773 /nfs/dbraw/zinc/31/87/73/246318773.db2.gz RPMQZIVBTYFHAG-HNNXBMFYSA-N 2 0 368.428 0.723 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860231 246328442 /nfs/dbraw/zinc/32/84/42/246328442.db2.gz KRCWEYSHQZYXNF-QZTJIDSGSA-N 2 0 373.501 0.748 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)CC1 ZINC000419865516 246334411 /nfs/dbraw/zinc/33/44/11/246334411.db2.gz PHXFUKGURBIYIY-WBVHZDCISA-N 2 0 350.507 0.810 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000419867794 246337371 /nfs/dbraw/zinc/33/73/71/246337371.db2.gz CXYDODCGKYAPFF-GJZGRUSLSA-N 2 0 350.463 0.864 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419921745 246370723 /nfs/dbraw/zinc/37/07/23/246370723.db2.gz YLHVLRWVJXVYKX-OAHLLOKOSA-N 2 0 364.465 0.832 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000419927371 246373485 /nfs/dbraw/zinc/37/34/85/246373485.db2.gz QUXASKOIXLMBOF-OAQYLSRUSA-N 2 0 370.497 0.837 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000419883246 246348192 /nfs/dbraw/zinc/34/81/92/246348192.db2.gz IXUCQSQONDIMRM-GVDBMIGSSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419884250 246350813 /nfs/dbraw/zinc/35/08/13/246350813.db2.gz FUFCAELUPWBQJY-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887482 246352202 /nfs/dbraw/zinc/35/22/02/246352202.db2.gz FALJADSATDIWCT-FCGDIQPGSA-N 2 0 370.497 0.963 20 0 FCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419895291 246355501 /nfs/dbraw/zinc/35/55/01/246355501.db2.gz RYNBUCQDVDEQBY-QGZVFWFLSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000419905367 246361281 /nfs/dbraw/zinc/36/12/81/246361281.db2.gz WFKDXPBPNANWHE-LSDHHAIUSA-N 2 0 350.463 0.674 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000419943693 246380148 /nfs/dbraw/zinc/38/01/48/246380148.db2.gz PYBLEQQKDNSWHE-ZDUSSCGKSA-N 2 0 354.882 0.941 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000419943692 246380881 /nfs/dbraw/zinc/38/08/81/246380881.db2.gz PYBLEQQKDNSWHE-CYBMUJFWSA-N 2 0 354.882 0.941 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000420143823 246494024 /nfs/dbraw/zinc/49/40/24/246494024.db2.gz ZKOSWEYHMKVRJY-UHFFFAOYSA-N 2 0 374.485 0.621 20 0 FCADRP CC(=O)N1CCCc2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc21 ZINC000420461508 246565370 /nfs/dbraw/zinc/56/53/70/246565370.db2.gz UISVUWAPRLPBGT-UHFFFAOYSA-N 2 0 368.503 0.674 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423054024 246955062 /nfs/dbraw/zinc/95/50/62/246955062.db2.gz BIJWTIIZPADESV-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423094567 246962132 /nfs/dbraw/zinc/96/21/32/246962132.db2.gz KKKIISKYWLRBIE-IRXDYDNUSA-N 2 0 350.507 0.635 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423361999 247011872 /nfs/dbraw/zinc/01/18/72/247011872.db2.gz HMGJSAIWJCXVLM-GJZGRUSLSA-N 2 0 364.515 0.706 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)C1 ZINC000423367913 247013227 /nfs/dbraw/zinc/01/32/27/247013227.db2.gz AUGOAFROKDTVHJ-QKLQHJQFSA-N 2 0 356.470 0.752 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423375049 247016517 /nfs/dbraw/zinc/01/65/17/247016517.db2.gz IPUXSKPQRVHTBD-IRXDYDNUSA-N 2 0 352.523 0.772 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000423387073 247017372 /nfs/dbraw/zinc/01/73/72/247017372.db2.gz HLHBTGXSQHHSJU-NZSAHSFTSA-N 2 0 370.497 0.884 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423414702 247022379 /nfs/dbraw/zinc/02/23/79/247022379.db2.gz NNSOQHRPLYWEGS-KRWDZBQOSA-N 2 0 367.538 0.073 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308506 247000231 /nfs/dbraw/zinc/00/02/31/247000231.db2.gz ONLKSVDXRJWIRL-FUHWJXTLSA-N 2 0 358.486 0.787 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423557780 247051131 /nfs/dbraw/zinc/05/11/31/247051131.db2.gz COIJRHCSGZXWRJ-XLIONFOSSA-N 2 0 374.485 0.032 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423566856 247055261 /nfs/dbraw/zinc/05/52/61/247055261.db2.gz CJCKXLSVHNHXHC-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000423440322 247028487 /nfs/dbraw/zinc/02/84/87/247028487.db2.gz INTJLKRJZIQOSQ-YESZJQIVSA-N 2 0 368.522 0.389 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000423452725 247030438 /nfs/dbraw/zinc/03/04/38/247030438.db2.gz WSMWFPHGLFTZAL-QAPCUYQASA-N 2 0 354.495 0.143 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423466431 247033115 /nfs/dbraw/zinc/03/31/15/247033115.db2.gz CZUSXLDVYNPGSW-QRVBRYPASA-N 2 0 370.497 0.645 20 0 FCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423468020 247033153 /nfs/dbraw/zinc/03/31/53/247033153.db2.gz FBGKINSPAXYASL-UEXGIBASSA-N 2 0 370.497 0.774 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000423680508 247106222 /nfs/dbraw/zinc/10/62/22/247106222.db2.gz MPAWFGCBILEVFA-BFYDXBDKSA-N 2 0 366.506 0.426 20 0 FCADRP C[C@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC[NH2+]1 ZINC000423616392 247076244 /nfs/dbraw/zinc/07/62/44/247076244.db2.gz FOPZUYZUQVLJCG-UONOGXRCSA-N 2 0 353.488 0.892 20 0 FCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423620320 247078749 /nfs/dbraw/zinc/07/87/49/247078749.db2.gz WNJLFGWXNRQRMG-FGTMMUONSA-N 2 0 356.470 0.527 20 0 FCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423641813 247088646 /nfs/dbraw/zinc/08/86/46/247088646.db2.gz HUBQVFLBBOFEBC-KRWDZBQOSA-N 2 0 359.474 0.706 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)[C@@H](C)C[NH2+]1 ZINC000423647258 247089939 /nfs/dbraw/zinc/08/99/39/247089939.db2.gz HSILIHFRTYQFJN-FZCLSBEQSA-N 2 0 373.501 0.742 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423651781 247091901 /nfs/dbraw/zinc/09/19/01/247091901.db2.gz QHDFXGITEZGWLD-PMPSAXMXSA-N 2 0 366.506 0.155 20 0 FCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423649512 247091919 /nfs/dbraw/zinc/09/19/19/247091919.db2.gz PMDIMDUQDYNQGS-PXNSSMCTSA-N 2 0 374.485 0.032 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)[C@H](C)C[NH2+]1 ZINC000423659553 247099458 /nfs/dbraw/zinc/09/94/58/247099458.db2.gz ZNNCPQHROLFSLW-HUUCEWRRSA-N 2 0 350.463 0.769 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C[C@H]1[NH3+] ZINC000423743366 247137840 /nfs/dbraw/zinc/13/78/40/247137840.db2.gz LRBKBUWZPKKDTQ-XGXHKWSGSA-N 2 0 370.497 0.773 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423743713 247138230 /nfs/dbraw/zinc/13/82/30/247138230.db2.gz LYZIRFCTAMKJAG-QGZVFWFLSA-N 2 0 366.506 0.158 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771367 247142888 /nfs/dbraw/zinc/14/28/88/247142888.db2.gz FVZUSZWEJWFNQX-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423730642 247130583 /nfs/dbraw/zinc/13/05/83/247130583.db2.gz NKEZYHOMOBDMRN-WBVHZDCISA-N 2 0 350.507 0.920 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423730620 247130717 /nfs/dbraw/zinc/13/07/17/247130717.db2.gz NKEZYHOMOBDMRN-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP COCCNC(=O)CN1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424307329 247195290 /nfs/dbraw/zinc/19/52/90/247195290.db2.gz XJZADGRGQMAJIR-MRXNPFEDSA-N 2 0 352.454 0.248 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424044722 247164412 /nfs/dbraw/zinc/16/44/12/247164412.db2.gz KBFWCTFDHTYZKY-RBUKOAKNSA-N 2 0 358.486 0.788 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000424494378 247239018 /nfs/dbraw/zinc/23/90/18/247239018.db2.gz NDXZXYYGKJMABH-PKOBYXMFSA-N 2 0 370.497 0.930 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536863 247255142 /nfs/dbraw/zinc/25/51/42/247255142.db2.gz BRMXRDVJXFICFJ-CADBVGFASA-N 2 0 370.497 0.963 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000424451723 247221024 /nfs/dbraw/zinc/22/10/24/247221024.db2.gz FJLOZKPLNMRSMX-HDEZJCGLSA-N 2 0 364.494 0.356 20 0 FCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1)CC[NH2+]CC2 ZINC000424557970 247263414 /nfs/dbraw/zinc/26/34/14/247263414.db2.gz WLMJFRIADJAKID-HNNXBMFYSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484018 248041767 /nfs/dbraw/zinc/04/17/67/248041767.db2.gz BQRAITRORQXGJR-OAHLLOKOSA-N 2 0 351.499 0.592 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000436060712 248030443 /nfs/dbraw/zinc/03/04/43/248030443.db2.gz FVPPWXBDKPTTAU-KRWDZBQOSA-N 2 0 365.522 0.049 20 0 FCADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000438878568 248099382 /nfs/dbraw/zinc/09/93/82/248099382.db2.gz CGHZPRQBGUCBMJ-INIZCTEOSA-N 2 0 355.504 0.905 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438882611 248099827 /nfs/dbraw/zinc/09/98/27/248099827.db2.gz FMBPYKUZGDITES-DOTOQJQBSA-N 2 0 357.458 0.494 20 0 FCADRP CCn1nccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000439217338 248115834 /nfs/dbraw/zinc/11/58/34/248115834.db2.gz RJTHFWVMSKQTML-HNNXBMFYSA-N 2 0 364.494 0.716 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000440976820 248228427 /nfs/dbraw/zinc/22/84/27/248228427.db2.gz CWMXBYZCVPEQEM-CALCHBBNSA-N 2 0 369.554 0.811 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441844038 248262989 /nfs/dbraw/zinc/26/29/89/248262989.db2.gz PRFDEUGLTRNTLI-UHFFFAOYSA-N 2 0 350.463 0.690 20 0 FCADRP COCCn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cn1 ZINC000444189704 248350888 /nfs/dbraw/zinc/35/08/88/248350888.db2.gz MQEORCJPTZMPPK-UHFFFAOYSA-N 2 0 373.523 0.176 20 0 FCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000446359741 248387852 /nfs/dbraw/zinc/38/78/52/248387852.db2.gz LSNAFYVAXSEWNX-SFHVURJKSA-N 2 0 352.523 0.630 20 0 FCADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000453578184 249346433 /nfs/dbraw/zinc/34/64/33/249346433.db2.gz BQSLWWUOHGYVAX-HKUYNNGSSA-N 2 0 358.486 0.918 20 0 FCADRP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc12 ZINC000469988127 250016827 /nfs/dbraw/zinc/01/68/27/250016827.db2.gz AWZMTVLQNYVFRP-INIZCTEOSA-N 2 0 356.474 0.921 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284605 250142687 /nfs/dbraw/zinc/14/26/87/250142687.db2.gz MCOKFRCBNLIDLG-RDJZCZTQSA-N 2 0 368.522 0.532 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000473952646 250258698 /nfs/dbraw/zinc/25/86/98/250258698.db2.gz XHGGMMLGNQIXMZ-UHFFFAOYSA-N 2 0 356.511 0.632 20 0 FCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000480879838 250289720 /nfs/dbraw/zinc/28/97/20/250289720.db2.gz LNMVDTHONWNDRH-IYBDPMFKSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000480870917 250290899 /nfs/dbraw/zinc/29/08/99/250290899.db2.gz CCNOQLPIXWKATL-HOTGVXAUSA-N 2 0 370.538 0.554 20 0 FCADRP COCn1nccc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000480914256 250296361 /nfs/dbraw/zinc/29/63/61/250296361.db2.gz VZZTWSGVBLJVDG-UHFFFAOYSA-N 2 0 359.496 0.134 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000480942869 250298140 /nfs/dbraw/zinc/29/81/40/250298140.db2.gz WIUGTCWHVAQTNY-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000481132412 250317700 /nfs/dbraw/zinc/31/77/00/250317700.db2.gz FBKCUPFKJVQYGW-FXUDXRNXSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCN(C)CC1 ZINC000481697202 250349659 /nfs/dbraw/zinc/34/96/59/250349659.db2.gz PHWOLYJXRARBCK-RDJZCZTQSA-N 2 0 357.568 0.606 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481700375 250350293 /nfs/dbraw/zinc/35/02/93/250350293.db2.gz ZBFNMTFLAHBVRB-WMZOPIPTSA-N 2 0 371.595 0.997 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000481997171 250372718 /nfs/dbraw/zinc/37/27/18/250372718.db2.gz DONTWVJBPVBFLT-INIZCTEOSA-N 2 0 368.522 0.356 20 0 FCADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000482532970 250392551 /nfs/dbraw/zinc/39/25/51/250392551.db2.gz LGZWTAIZJGIFLQ-GDBMZVCRSA-N 2 0 357.462 0.900 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000500089274 250784640 /nfs/dbraw/zinc/78/46/40/250784640.db2.gz HCOBTPDOGVDULL-KRWDZBQOSA-N 2 0 360.568 0.664 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413463043 532991747 /nfs/dbraw/zinc/99/17/47/532991747.db2.gz XZCQJXXFZQXPJJ-JKSUJKDBSA-N 2 0 354.495 0.997 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112507898 208296973 /nfs/dbraw/zinc/29/69/73/208296973.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 0 374.489 0.492 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000177415581 209023031 /nfs/dbraw/zinc/02/30/31/209023031.db2.gz WNLBTZLSCFDODQ-INIZCTEOSA-N 2 0 356.511 0.441 20 0 FCADRP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+](C)C1 ZINC000413298991 533481486 /nfs/dbraw/zinc/48/14/86/533481486.db2.gz LCBBVHOMUNYMDJ-GJZGRUSLSA-N 2 0 352.479 0.750 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188443791 229247181 /nfs/dbraw/zinc/24/71/81/229247181.db2.gz GIQWAUAWYXDHGH-INIZCTEOSA-N 2 0 370.538 0.974 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000189313283 229253050 /nfs/dbraw/zinc/25/30/50/229253050.db2.gz NTQLWYQNNWCGPS-UHFFFAOYSA-N 2 0 357.524 0.776 20 0 FCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410483304 230098357 /nfs/dbraw/zinc/09/83/57/230098357.db2.gz DFLSLRPFILWNCZ-GOSISDBHSA-N 2 0 373.501 0.919 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410505318 230108817 /nfs/dbraw/zinc/10/88/17/230108817.db2.gz UVRYSYHIRNBWSS-MRXNPFEDSA-N 2 0 354.495 0.110 20 0 FCADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410718909 230210456 /nfs/dbraw/zinc/21/04/56/230210456.db2.gz ZYQMORSEZWVVEQ-ROUUACIJSA-N 2 0 360.502 0.936 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410736633 230227716 /nfs/dbraw/zinc/22/77/16/230227716.db2.gz OLXNRODWTXDGGF-IKGGRYGDSA-N 2 0 350.507 0.872 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000278298364 488866296 /nfs/dbraw/zinc/86/62/96/488866296.db2.gz RRPLMSOBGMMKLC-MRXNPFEDSA-N 2 0 364.490 0.639 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000533321747 484202701 /nfs/dbraw/zinc/20/27/01/484202701.db2.gz QLFKFWWSBRZDCX-AWEZNQCLSA-N 2 0 350.467 0.230 20 0 FCADRP [NH3+]C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562795851 491189410 /nfs/dbraw/zinc/18/94/10/491189410.db2.gz CGJXVOJYDDCOFQ-KRWDZBQOSA-N 3 0 360.506 0.974 20 0 FCADRP NC(=O)c1cnccc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000302051593 488886736 /nfs/dbraw/zinc/88/67/36/488886736.db2.gz XRFWQWZMAIGHLV-UHFFFAOYSA-N 2 0 353.426 0.619 20 0 FCADRP COCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000363847421 488891633 /nfs/dbraw/zinc/89/16/33/488891633.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 2 0 355.527 0.375 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940343 488895734 /nfs/dbraw/zinc/89/57/34/488895734.db2.gz PNNORQYBMFQVTG-RTBURBONSA-N 2 0 370.497 0.789 20 0 FCADRP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327013915 488917881 /nfs/dbraw/zinc/91/78/81/488917881.db2.gz GDCLKUBITZICLM-ARFHVFGLSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364163021 488929797 /nfs/dbraw/zinc/92/97/97/488929797.db2.gz OITPGDCVDVWOLI-SJORKVTESA-N 2 0 356.511 0.849 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC1=O ZINC000364192839 488933570 /nfs/dbraw/zinc/93/35/70/488933570.db2.gz MEDYKQFZJHDMQT-OIISXLGYSA-N 2 0 362.449 0.489 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000364230926 488938111 /nfs/dbraw/zinc/93/81/11/488938111.db2.gz VAVNDNZHUCXVLQ-INIZCTEOSA-N 2 0 353.511 0.176 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283026 488943219 /nfs/dbraw/zinc/94/32/19/488943219.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 2 0 367.538 0.517 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000047980925 488052320 /nfs/dbraw/zinc/05/23/20/488052320.db2.gz LFDANUWVWSHKCN-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051957328 488152692 /nfs/dbraw/zinc/15/26/92/488152692.db2.gz FUPXRFJLHZQQJS-UHFFFAOYSA-N 2 0 352.523 0.631 20 0 FCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000073253783 488384189 /nfs/dbraw/zinc/38/41/89/488384189.db2.gz KBLXJVSOWPNRRJ-AWEZNQCLSA-N 2 0 354.414 0.806 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601985 488385161 /nfs/dbraw/zinc/38/51/61/488385161.db2.gz KLDLYMDLFDBAHY-QAPCUYQASA-N 2 0 358.486 0.963 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074064675 488387466 /nfs/dbraw/zinc/38/74/66/488387466.db2.gz YISWBDKONXGSIQ-QGZVFWFLSA-N 2 0 369.554 0.670 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000074188022 488388631 /nfs/dbraw/zinc/38/86/31/488388631.db2.gz HIENNLSYQAAEKE-WBVHZDCISA-N 2 0 364.465 0.955 20 0 FCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182952398 488390277 /nfs/dbraw/zinc/39/02/77/488390277.db2.gz IVHDZFWVKDKHNJ-KRWDZBQOSA-N 2 0 368.522 0.500 20 0 FCADRP C[NH+]1CCC(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345369 488390759 /nfs/dbraw/zinc/39/07/59/488390759.db2.gz KUFFITBXJMHWGI-MRXNPFEDSA-N 2 0 353.511 0.605 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345299 488390981 /nfs/dbraw/zinc/39/09/81/488390981.db2.gz SINHICIFWODWLI-HOTGVXAUSA-N 2 0 353.511 0.557 20 0 FCADRP NC(=O)c1c[nH+]ccc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000184058560 488394764 /nfs/dbraw/zinc/39/47/64/488394764.db2.gz QVYVTDHLLUANOC-UHFFFAOYSA-N 2 0 359.474 0.999 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000562837555 491195301 /nfs/dbraw/zinc/19/53/01/491195301.db2.gz OANIKGPKCFPLAE-JJRVBVJISA-N 2 0 356.536 0.529 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000562837556 491195635 /nfs/dbraw/zinc/19/56/35/491195635.db2.gz OANIKGPKCFPLAE-VBQJREDUSA-N 2 0 356.536 0.529 20 0 FCADRP Cc1ccc(NCCCNC(=O)NCCC(=O)N2CCN(C)CC2)nc1 ZINC000193419252 488427274 /nfs/dbraw/zinc/42/72/74/488427274.db2.gz WJAAJRDLTLLCEO-UHFFFAOYSA-N 2 0 362.478 0.655 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000081248112 488440435 /nfs/dbraw/zinc/44/04/35/488440435.db2.gz MYROBYFSNOSZJP-CABCVRRESA-N 2 0 352.504 0.877 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000246441991 488472891 /nfs/dbraw/zinc/47/28/91/488472891.db2.gz NWZUENUQUNHEHA-TWMKSMIVSA-N 2 0 356.511 0.894 20 0 FCADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092599378 488475285 /nfs/dbraw/zinc/47/52/85/488475285.db2.gz HURREDXCBYCJTP-KRWDZBQOSA-N 2 0 362.474 0.302 20 0 FCADRP C[C@H](CN1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246803826 488476285 /nfs/dbraw/zinc/47/62/85/488476285.db2.gz JETMVJGRZGBAOZ-BPQIPLTHSA-N 2 0 368.522 0.774 20 0 FCADRP Cc1cn2c(ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2=O)s1 ZINC000092894950 488476939 /nfs/dbraw/zinc/47/69/39/488476939.db2.gz LSOMGNBYVFZXDM-UHFFFAOYSA-N 2 0 351.476 0.630 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256437 488483789 /nfs/dbraw/zinc/48/37/89/488483789.db2.gz SLTVLRKYRSLZOU-WBVHZDCISA-N 2 0 360.458 0.701 20 0 FCADRP C[C@]1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269051 488484681 /nfs/dbraw/zinc/48/46/81/488484681.db2.gz QVMSKANAOURGAN-XLIONFOSSA-N 2 0 358.486 1.000 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269290989 488487729 /nfs/dbraw/zinc/48/77/29/488487729.db2.gz KZUDSPIRZMYRNJ-IAGOWNOFSA-N 2 0 366.893 0.691 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000248969398 488504783 /nfs/dbraw/zinc/50/47/83/488504783.db2.gz OVCNHBQWOKXRRH-LNLFQRSKSA-N 2 0 362.518 0.792 20 0 FCADRP CC1CC[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104800837 488505607 /nfs/dbraw/zinc/50/56/07/488505607.db2.gz NTXZTXAXHRZWQO-KRWDZBQOSA-N 2 0 367.538 0.995 20 0 FCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C1CC1 ZINC000105223192 488507955 /nfs/dbraw/zinc/50/79/55/488507955.db2.gz PFMWSRGGEPBAND-GOEBONIOSA-N 2 0 353.511 0.711 20 0 FCADRP C[C@@H]1CN(Cc2cccc(CN3C[C@H](CO)O[C@@H](C)C3)c2)C[C@H](CO)O1 ZINC000249490693 488510607 /nfs/dbraw/zinc/51/06/07/488510607.db2.gz VGRXGFNHUNAUOI-WOUAJJJCSA-N 2 0 364.486 0.850 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000107329959 488517453 /nfs/dbraw/zinc/51/74/53/488517453.db2.gz XOICWTFHWWWRRO-HNNXBMFYSA-N 2 0 365.522 0.855 20 0 FCADRP CC(C)[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCN(C)CC1 ZINC000111812444 488531266 /nfs/dbraw/zinc/53/12/66/488531266.db2.gz DZYKLPGLJFZVSL-SFHVURJKSA-N 2 0 369.554 0.262 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000113504780 488538234 /nfs/dbraw/zinc/53/82/34/488538234.db2.gz BPNUKGXYYMOCJK-KRWDZBQOSA-N 2 0 362.474 0.961 20 0 FCADRP C[C@]1(C[NH3+])CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261901859 488541321 /nfs/dbraw/zinc/54/13/21/488541321.db2.gz WPVPKEGLUKNCSZ-GOSISDBHSA-N 2 0 352.523 0.808 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114598342 488541549 /nfs/dbraw/zinc/54/15/49/488541549.db2.gz SGQMRLBSWJHEPM-SFHVURJKSA-N 2 0 369.554 0.550 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114602668 488541761 /nfs/dbraw/zinc/54/17/61/488541761.db2.gz VWVNHBVABMRXTB-ZWKOTPCHSA-N 2 0 367.538 0.255 20 0 FCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000261918091 488541837 /nfs/dbraw/zinc/54/18/37/488541837.db2.gz XGNKAAKJCYAODY-MRXNPFEDSA-N 2 0 359.474 0.626 20 0 FCADRP C[NH+]1CCN(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261921636 488542198 /nfs/dbraw/zinc/54/21/98/488542198.db2.gz YXPAPIODHKMTSJ-MRXNPFEDSA-N 2 0 369.307 0.987 20 0 FCADRP COc1ccc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1F ZINC000262107783 488550874 /nfs/dbraw/zinc/55/08/74/488550874.db2.gz MLBDHNHQAGBGGQ-UHFFFAOYSA-N 2 0 364.465 0.774 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262125727 488552332 /nfs/dbraw/zinc/55/23/32/488552332.db2.gz GBWLHGWAIIZVCW-UHFFFAOYSA-N 2 0 362.522 0.352 20 0 FCADRP CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000262164145 488554639 /nfs/dbraw/zinc/55/46/39/488554639.db2.gz HDOQSZFNPVWDLF-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[N@H+]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)C1 ZINC000121477682 488568491 /nfs/dbraw/zinc/56/84/91/488568491.db2.gz BJAPDTFLRUMRKV-ROUUACIJSA-N 2 0 369.554 0.404 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262422256 488569700 /nfs/dbraw/zinc/56/97/00/488569700.db2.gz VBXXNJBVFSRTFF-UHFFFAOYSA-N 2 0 354.495 0.015 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262459803 488571714 /nfs/dbraw/zinc/57/17/14/488571714.db2.gz WXRPQIGBDXGHHM-RDJZCZTQSA-N 2 0 360.458 0.701 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1 ZINC000262643001 488584129 /nfs/dbraw/zinc/58/41/29/488584129.db2.gz LTEXNJLCWNPGBZ-KRWDZBQOSA-N 2 0 352.523 0.901 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000262674234 488585639 /nfs/dbraw/zinc/58/56/39/488585639.db2.gz QQCCQKQFJMFLIK-INIZCTEOSA-N 2 0 358.446 0.069 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262745569 488589788 /nfs/dbraw/zinc/58/97/88/488589788.db2.gz JUZNNYCMDNQYDH-INIZCTEOSA-N 2 0 374.489 0.188 20 0 FCADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000262776458 488592131 /nfs/dbraw/zinc/59/21/31/488592131.db2.gz KBBJVWLYXWZLRZ-INIZCTEOSA-N 2 0 368.441 0.757 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806800 488594598 /nfs/dbraw/zinc/59/45/98/488594598.db2.gz PUMPQXRDAKUKIF-DLBZAZTESA-N 2 0 362.522 0.811 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000554584959 491211085 /nfs/dbraw/zinc/21/10/85/491211085.db2.gz RFTDDPQSJKQMQC-QGZVFWFLSA-N 2 0 350.507 0.921 20 0 FCADRP CO[C@H](C[NH3+])CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262897050 488598290 /nfs/dbraw/zinc/59/82/90/488598290.db2.gz PDIBZIZZCJXQAH-SJORKVTESA-N 2 0 362.474 0.364 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)ccn1 ZINC000272701397 488598638 /nfs/dbraw/zinc/59/86/38/488598638.db2.gz SDDMAHCTFOGTRW-UHFFFAOYSA-N 2 0 373.457 0.998 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cn1 ZINC000262966547 488600888 /nfs/dbraw/zinc/60/08/88/488600888.db2.gz LJCFNCQRZLKASD-YOEHRIQHSA-N 2 0 350.467 0.407 20 0 FCADRP COC[C@@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC ZINC000272748820 488602744 /nfs/dbraw/zinc/60/27/44/488602744.db2.gz NGCAILRKVWOVBJ-QGZVFWFLSA-N 2 0 365.478 0.554 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000263078427 488604136 /nfs/dbraw/zinc/60/41/36/488604136.db2.gz CUDVJOYAEMGSQO-KRWDZBQOSA-N 2 0 350.463 0.343 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263264329 488607931 /nfs/dbraw/zinc/60/79/31/488607931.db2.gz UREGIBWAMROPIX-INIZCTEOSA-N 2 0 354.495 0.237 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000263860876 488631693 /nfs/dbraw/zinc/63/16/93/488631693.db2.gz FJKBMRXLAKSHHK-UHFFFAOYSA-N 2 0 361.490 0.825 20 0 FCADRP CN1Cc2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2C1 ZINC000130066805 488635695 /nfs/dbraw/zinc/63/56/95/488635695.db2.gz KONBNEXHNDLKHI-GOSISDBHSA-N 2 0 374.485 0.924 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000130240364 488636471 /nfs/dbraw/zinc/63/64/71/488636471.db2.gz OGPAMWHTGKBLOH-SFHVURJKSA-N 2 0 370.538 0.881 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2n(c1=O)CCS2 ZINC000130339944 488636892 /nfs/dbraw/zinc/63/68/92/488636892.db2.gz KAYFJVPCYNRHEF-UHFFFAOYSA-N 2 0 367.519 0.695 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000130417697 488637579 /nfs/dbraw/zinc/63/75/79/488637579.db2.gz IMSCSESMQMFCPZ-SJLPKXTDSA-N 2 0 360.506 0.627 20 0 FCADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000563081956 491213664 /nfs/dbraw/zinc/21/36/64/491213664.db2.gz XYKSNNZPKOSHDJ-KRWDZBQOSA-N 2 0 366.506 0.206 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000130823862 488640889 /nfs/dbraw/zinc/64/08/89/488640889.db2.gz DTRGSPKAPXQQRV-HNNXBMFYSA-N 2 0 361.490 0.439 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000132063061 488650561 /nfs/dbraw/zinc/65/05/61/488650561.db2.gz JIHWDWFVYMAEAS-QAPCUYQASA-N 2 0 358.486 0.747 20 0 FCADRP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000134156073 488665089 /nfs/dbraw/zinc/66/50/89/488665089.db2.gz OGGAXRPEBCKWHE-ROUUACIJSA-N 2 0 353.507 0.983 20 0 FCADRP CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000136387843 488677404 /nfs/dbraw/zinc/67/74/04/488677404.db2.gz SAHDLHBKJGKSDI-MRXNPFEDSA-N 2 0 351.495 0.419 20 0 FCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136934401 488679002 /nfs/dbraw/zinc/67/90/02/488679002.db2.gz UJJYWXWJAPDZJV-INIZCTEOSA-N 2 0 350.463 0.863 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264583356 488687708 /nfs/dbraw/zinc/68/77/08/488687708.db2.gz KBYVQKOURBBXIG-KRWDZBQOSA-N 2 0 361.490 0.887 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000150903074 488700515 /nfs/dbraw/zinc/70/05/15/488700515.db2.gz XHUHVCHGPJJXRH-UHFFFAOYSA-N 2 0 372.473 0.875 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@H+](C)C2CC2)c1 ZINC000264843068 488718404 /nfs/dbraw/zinc/71/84/04/488718404.db2.gz KJFUGRSBELBUEK-UHFFFAOYSA-N 2 0 361.490 0.871 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000154030578 488737430 /nfs/dbraw/zinc/73/74/30/488737430.db2.gz KXCBSIXXZUYFEI-SFHVURJKSA-N 2 0 369.554 0.406 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000154644340 488745986 /nfs/dbraw/zinc/74/59/86/488745986.db2.gz PUPBNIGYRDLRFE-HNNXBMFYSA-N 2 0 366.485 0.934 20 0 FCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267264833 488773512 /nfs/dbraw/zinc/77/35/12/488773512.db2.gz DGFUCAPEKOBRNH-UHFFFAOYSA-N 2 0 362.474 0.568 20 0 FCADRP CCn1ccnc1CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157617 491223090 /nfs/dbraw/zinc/22/30/90/491223090.db2.gz JEJDKKOFVLQVNH-MRXNPFEDSA-N 2 0 361.490 0.752 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C/C=C/CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000171149311 488820420 /nfs/dbraw/zinc/82/04/20/488820420.db2.gz XJGRLYYRSWIRDB-AATRIKPKSA-N 2 0 368.566 0.320 20 0 FCADRP COCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000171190404 488820918 /nfs/dbraw/zinc/82/09/18/488820918.db2.gz KQPLZAXZEVZJKJ-UHFFFAOYSA-N 2 0 356.511 0.899 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000171899898 488828475 /nfs/dbraw/zinc/82/84/75/488828475.db2.gz XKLUGTCSSXSPCL-HOTGVXAUSA-N 2 0 356.511 0.489 20 0 FCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000173681996 488844398 /nfs/dbraw/zinc/84/43/98/488844398.db2.gz BHJVLWLNBCEWLJ-DOTOQJQBSA-N 2 0 363.506 0.940 20 0 FCADRP C[NH+]1CCN(CCCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000174444262 488849047 /nfs/dbraw/zinc/84/90/47/488849047.db2.gz JWXNYHKPQRJHLK-UHFFFAOYSA-N 2 0 373.545 0.952 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000174778720 488851193 /nfs/dbraw/zinc/85/11/93/488851193.db2.gz MIHFGIPVSKVMHX-APWZRJJASA-N 2 0 372.513 0.960 20 0 FCADRP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000175772954 488855455 /nfs/dbraw/zinc/85/54/55/488855455.db2.gz AKPFAEKAIXBXJL-HDICACEKSA-N 2 0 368.570 0.053 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000175798061 488855567 /nfs/dbraw/zinc/85/55/67/488855567.db2.gz LPBKXBMDIPOOKI-NSHGMRRFSA-N 2 0 369.550 0.891 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000176001509 488856996 /nfs/dbraw/zinc/85/69/96/488856996.db2.gz JPRISJGKFWZFFN-MRXNPFEDSA-N 2 0 354.495 0.461 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000176684232 488858640 /nfs/dbraw/zinc/85/86/40/488858640.db2.gz SCWSMRQZCWKYMA-INIZCTEOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000554797004 491225741 /nfs/dbraw/zinc/22/57/41/491225741.db2.gz UYEBROSDFRINRE-SJORKVTESA-N 2 0 368.522 0.545 20 0 FCADRP CC(CC[NH+]1CCN2CCOC[C@@H]2C1)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000563220905 491228431 /nfs/dbraw/zinc/22/84/31/491228431.db2.gz IBWXOMAZYWKCED-PMACEKPBSA-N 2 0 366.550 0.436 20 0 FCADRP OC[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000570268559 491228841 /nfs/dbraw/zinc/22/88/41/491228841.db2.gz JIBBTRHTXPZGAI-JVSBHGNQSA-N 2 0 364.486 0.037 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289301246 489056999 /nfs/dbraw/zinc/05/69/99/489056999.db2.gz SDBNYWMBEWRTNA-GOSISDBHSA-N 2 0 372.517 0.100 20 0 FCADRP CO[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000281509486 489081693 /nfs/dbraw/zinc/08/16/93/489081693.db2.gz HFJZABAQGBIKHC-SFHVURJKSA-N 2 0 372.473 0.831 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000554911746 491232048 /nfs/dbraw/zinc/23/20/48/491232048.db2.gz IZURDYGOHJPFAW-INIZCTEOSA-N 3 0 369.554 0.175 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000365523835 489084338 /nfs/dbraw/zinc/08/43/38/489084338.db2.gz JBWOGHLBJFXUGN-LJQANCHMSA-N 2 0 360.502 0.885 20 0 FCADRP Cn1ccnc1[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000365619904 489093470 /nfs/dbraw/zinc/09/34/70/489093470.db2.gz CEABTGJDEYXWCM-ZDUSSCGKSA-N 2 0 371.445 0.047 20 0 FCADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)N1CC[NH+](C)CC1 ZINC000289971725 489105701 /nfs/dbraw/zinc/10/57/01/489105701.db2.gz XKOTZIPGURGSGL-KBXCAEBGSA-N 2 0 366.531 0.937 20 0 FCADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)N1CC[NH+](C)CC1 ZINC000289971734 489106031 /nfs/dbraw/zinc/10/60/31/489106031.db2.gz XKOTZIPGURGSGL-KSSFIOAISA-N 2 0 366.531 0.937 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172642 489154646 /nfs/dbraw/zinc/15/46/46/489154646.db2.gz SIUXFHBEJZIWPY-HKUYNNGSSA-N 2 0 351.539 0.997 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000290744594 489162038 /nfs/dbraw/zinc/16/20/38/489162038.db2.gz XVPJNFNIHZIDCF-INIZCTEOSA-N 2 0 364.490 0.997 20 0 FCADRP C[N@H+](C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778484 489164839 /nfs/dbraw/zinc/16/48/39/489164839.db2.gz MOPBBKYUYLAGPN-PXNSSMCTSA-N 2 0 372.469 0.638 20 0 FCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000366400511 489177451 /nfs/dbraw/zinc/17/74/51/489177451.db2.gz RHUFUMYLLVJINX-DLBZAZTESA-N 2 0 353.507 0.935 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366449886 489183326 /nfs/dbraw/zinc/18/33/26/489183326.db2.gz HOCBIKXFDZRFDC-IRXDYDNUSA-N 2 0 354.495 0.602 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491149 489188546 /nfs/dbraw/zinc/18/85/46/489188546.db2.gz DOBSQUGECDVMJE-LZLYRXPVSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491150 489188561 /nfs/dbraw/zinc/18/85/61/489188561.db2.gz DOBSQUGECDVMJE-NUJGCVRESA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399612 489206584 /nfs/dbraw/zinc/20/65/84/489206584.db2.gz SAUQSFJLGMIUEL-HXUWFJFHSA-N 2 0 366.550 0.852 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000331404170 489207007 /nfs/dbraw/zinc/20/70/07/489207007.db2.gz PVIHYPOQNCYIMY-YYIAUSFCSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408585 489207492 /nfs/dbraw/zinc/20/74/92/489207492.db2.gz IWHNYXGFSNBGMU-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CCn1cc(CN2CCCN(C(=O)[C@@H]([NH2+]C)c3cnn(C)c3)CC2)cn1 ZINC000570447921 491241402 /nfs/dbraw/zinc/24/14/02/491241402.db2.gz DIJVAOFZUCYAMI-KRWDZBQOSA-N 2 0 359.478 0.632 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000332967285 489252166 /nfs/dbraw/zinc/25/21/66/489252166.db2.gz PXVPHJFGIHFSGV-YESZJQIVSA-N 2 0 363.506 0.561 20 0 FCADRP O=C(NCCN1CCSCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332977544 489253196 /nfs/dbraw/zinc/25/31/96/489253196.db2.gz IPPHPEMNKCKQLG-JKSUJKDBSA-N 2 0 356.536 0.712 20 0 FCADRP C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)NCC[NH+](C)C ZINC000563402569 491242528 /nfs/dbraw/zinc/24/25/28/491242528.db2.gz BBUBLCWWWBFEKG-HIFRSBDPSA-N 2 0 356.536 0.386 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546525 489273074 /nfs/dbraw/zinc/27/30/74/489273074.db2.gz SCTADHGXFFCWQU-SUMDDJOVSA-N 2 0 370.497 0.976 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820628 489279014 /nfs/dbraw/zinc/27/90/14/489279014.db2.gz CHSLUMQYJBPXJB-IAGOWNOFSA-N 2 0 353.511 0.129 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000283629308 489283246 /nfs/dbraw/zinc/28/32/46/489283246.db2.gz XYFMMSSJTVXMGY-UHFFFAOYSA-N 2 0 364.465 0.974 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000563459822 491249138 /nfs/dbraw/zinc/24/91/38/491249138.db2.gz ZHKHEPSEJJQXJM-ROUUACIJSA-N 2 0 358.486 0.615 20 0 FCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000555340470 491246915 /nfs/dbraw/zinc/24/69/15/491246915.db2.gz BLWKGPDRBODQOU-MRXNPFEDSA-N 2 0 358.552 0.958 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075983 489313779 /nfs/dbraw/zinc/31/37/79/489313779.db2.gz CUWUBCXMYRUHFK-SJORKVTESA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370075980 489313885 /nfs/dbraw/zinc/31/38/85/489313885.db2.gz CUWUBCXMYRUHFK-DLBZAZTESA-N 2 0 353.511 0.175 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H](C)[N@H+]1CCO ZINC000370203198 489327750 /nfs/dbraw/zinc/32/77/50/489327750.db2.gz ZTYSJGAYTTXIMZ-CALCHBBNSA-N 2 0 353.507 0.935 20 0 FCADRP O=C(C[C@@H]1COCC[NH2+]1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285878791 489329700 /nfs/dbraw/zinc/32/97/00/489329700.db2.gz BXLODNPCZHXWDU-LJQANCHMSA-N 2 0 360.502 0.689 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000563540377 491253739 /nfs/dbraw/zinc/25/37/39/491253739.db2.gz FAFGYRFCQWKJKY-BWTSREIZSA-N 2 0 357.502 0.841 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)C1 ZINC000570629361 491253804 /nfs/dbraw/zinc/25/38/04/491253804.db2.gz AJHWMZPACGIWTR-LSDHHAIUSA-N 2 0 352.483 0.494 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063923 489447173 /nfs/dbraw/zinc/44/71/73/489447173.db2.gz NDTXIPDVSMSRRJ-DLBZAZTESA-N 2 0 352.479 0.356 20 0 FCADRP O=C(CN1CCSC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299542465 489453780 /nfs/dbraw/zinc/45/37/80/489453780.db2.gz JMWILLKTAULODD-UHFFFAOYSA-N 2 0 363.487 0.879 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCNC(=O)C1CC1 ZINC000299547520 489454392 /nfs/dbraw/zinc/45/43/92/489454392.db2.gz KOPYHSNVPYVTEK-UHFFFAOYSA-N 2 0 374.489 0.419 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363389898 489461575 /nfs/dbraw/zinc/46/15/75/489461575.db2.gz OCKMZEYDEGCGNV-QZTJIDSGSA-N 3 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000570651400 491255820 /nfs/dbraw/zinc/25/58/20/491255820.db2.gz QIYPJFJVRLULEX-ZWKOTPCHSA-N 2 0 373.501 0.982 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292442 489474481 /nfs/dbraw/zinc/47/44/81/489474481.db2.gz BXRKSPGPLIWWIW-RBSFLKMASA-N 2 0 352.479 0.890 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342875 489478801 /nfs/dbraw/zinc/47/88/01/489478801.db2.gz ZYFOBFOIBFWCDF-OKZBNKHCSA-N 2 0 352.523 0.630 20 0 FCADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587957 489489377 /nfs/dbraw/zinc/48/93/77/489489377.db2.gz IMHQSNCNSGHBCQ-FUHWJXTLSA-N 2 0 365.522 0.343 20 0 FCADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587958 489489469 /nfs/dbraw/zinc/48/94/69/489489469.db2.gz IMHQSNCNSGHBCQ-SJLPKXTDSA-N 2 0 365.522 0.343 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423092626 489493019 /nfs/dbraw/zinc/49/30/19/489493019.db2.gz CSXFVUACQJIXIG-OAHLLOKOSA-N 2 0 350.438 0.666 20 0 FCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000423101218 489493239 /nfs/dbraw/zinc/49/32/39/489493239.db2.gz VPLHMOOOOPITLQ-UHFFFAOYSA-N 2 0 352.454 0.784 20 0 FCADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000371654554 489493621 /nfs/dbraw/zinc/49/36/21/489493621.db2.gz SQQLOLHDGSPUTM-GOSISDBHSA-N 2 0 367.538 0.376 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000570679765 491257046 /nfs/dbraw/zinc/25/70/46/491257046.db2.gz XWYFRPGDZGURSQ-HOCLYGCPSA-N 2 0 362.478 0.125 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423149121 489497644 /nfs/dbraw/zinc/49/76/44/489497644.db2.gz XCRWLCBAGUCDBK-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423169209 489499026 /nfs/dbraw/zinc/49/90/26/489499026.db2.gz VRDCDIILQKJHRG-MRXNPFEDSA-N 2 0 350.438 0.666 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000423165164 489499044 /nfs/dbraw/zinc/49/90/44/489499044.db2.gz APBBRZUNULBWHG-GDBMZVCRSA-N 2 0 364.490 0.922 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423204231 489502121 /nfs/dbraw/zinc/50/21/21/489502121.db2.gz DFDUXOBYHBDHQP-LUKYLMHMSA-N 2 0 366.506 0.141 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423210111 489502796 /nfs/dbraw/zinc/50/27/96/489502796.db2.gz JSDNJXVUCSYELP-CVEARBPZSA-N 2 0 356.511 0.387 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000423212259 489503258 /nfs/dbraw/zinc/50/32/58/489503258.db2.gz ZWJSNSPLJTWWOJ-MLGOLLRUSA-N 2 0 368.428 0.661 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423233603 489506027 /nfs/dbraw/zinc/50/60/27/489506027.db2.gz DUSUSUHAGNLFGX-HOCLYGCPSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000563627418 491259709 /nfs/dbraw/zinc/25/97/09/491259709.db2.gz ALXJAKYLYQVGDY-CRAIPNDOSA-N 2 0 358.486 0.881 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423272835 489510166 /nfs/dbraw/zinc/51/01/66/489510166.db2.gz ZNUMCGJSNKXGNR-HZPDHXFCSA-N 2 0 356.511 0.389 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000423301898 489513480 /nfs/dbraw/zinc/51/34/80/489513480.db2.gz INJGYABDUZKSPY-JCCCHCCOSA-N 2 0 350.507 0.905 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000415379714 489516435 /nfs/dbraw/zinc/51/64/35/489516435.db2.gz OKTZYHUXOXEYHB-SFHVURJKSA-N 2 0 373.501 0.631 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c(C)c2)CC1 ZINC000415458596 489522279 /nfs/dbraw/zinc/52/22/79/489522279.db2.gz WCIOTWBWIRKUEG-SFHVURJKSA-N 2 0 373.501 0.929 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)c2)CC1 ZINC000415486974 489524874 /nfs/dbraw/zinc/52/48/74/489524874.db2.gz GEEVVLPKGXKSCI-GOSISDBHSA-N 2 0 373.501 0.977 20 0 FCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415514445 489526155 /nfs/dbraw/zinc/52/61/55/489526155.db2.gz ZOWFNVVAGPZBAY-HNNXBMFYSA-N 2 0 373.501 0.868 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949408 489527504 /nfs/dbraw/zinc/52/75/04/489527504.db2.gz VHDJDTCOOLPUBQ-ZWKOTPCHSA-N 2 0 367.538 0.517 20 0 FCADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415544136 489527825 /nfs/dbraw/zinc/52/78/25/489527825.db2.gz FMYQAXZVQOVFSC-UHFFFAOYSA-N 2 0 373.501 0.835 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)c2)CC1 ZINC000415570407 489531246 /nfs/dbraw/zinc/53/12/46/489531246.db2.gz LYAKKEWKYGKEJG-JKSUJKDBSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c(C)c2)CC1 ZINC000415763932 489551088 /nfs/dbraw/zinc/55/10/88/489551088.db2.gz YKQUNMNDZVVWRV-VQFNDLOPSA-N 2 0 371.485 0.409 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c(OCC[NH+](C)C)c1 ZINC000415779961 489552666 /nfs/dbraw/zinc/55/26/66/489552666.db2.gz AIBUODMSSQYXQO-ZDUSSCGKSA-N 2 0 372.416 0.973 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1[NH3+] ZINC000415830324 489556402 /nfs/dbraw/zinc/55/64/02/489556402.db2.gz DNUPMRWFPDKIGF-RHSMWYFYSA-N 2 0 359.474 0.178 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415850384 489558600 /nfs/dbraw/zinc/55/86/00/489558600.db2.gz GKCZTBWHHUCHOZ-GOSISDBHSA-N 2 0 373.501 0.283 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000415870896 489562458 /nfs/dbraw/zinc/56/24/58/489562458.db2.gz PQEBMJQKJMIJRX-HUUCEWRRSA-N 2 0 360.458 0.633 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415893265 489564348 /nfs/dbraw/zinc/56/43/48/489564348.db2.gz MTDSAWBDOKLINR-GJZGRUSLSA-N 2 0 360.458 0.633 20 0 FCADRP Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415901203 489564639 /nfs/dbraw/zinc/56/46/39/489564639.db2.gz WZHDVESFVWMAEN-HZPDHXFCSA-N 2 0 374.485 0.942 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+]1CCN(C)CC1 ZINC000415992763 489567554 /nfs/dbraw/zinc/56/75/54/489567554.db2.gz HQNAZMKCNLMCDL-STQMWFEESA-N 2 0 353.433 0.837 20 0 FCADRP COCCn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000416145952 489571691 /nfs/dbraw/zinc/57/16/91/489571691.db2.gz SOVKQCHMAJRECE-UHFFFAOYSA-N 2 0 373.461 0.262 20 0 FCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)O1 ZINC000426591950 489576389 /nfs/dbraw/zinc/57/63/89/489576389.db2.gz AUNPESATJQHTJE-OKILXGFUSA-N 2 0 356.511 0.447 20 0 FCADRP C[NH+](C)CCCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000426649185 489577901 /nfs/dbraw/zinc/57/79/01/489577901.db2.gz WJCNKAQGVQEUQB-KRWDZBQOSA-N 2 0 371.547 0.828 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702731 491264276 /nfs/dbraw/zinc/26/42/76/491264276.db2.gz LMJMYCGTFDLKGA-HOTGVXAUSA-N 2 0 350.507 0.990 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)O1 ZINC000426821522 489582893 /nfs/dbraw/zinc/58/28/93/489582893.db2.gz UBXDUVYUDGWDCU-FZKCQIBNSA-N 2 0 356.511 0.447 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455664102 489598018 /nfs/dbraw/zinc/59/80/18/489598018.db2.gz ZKHXVUOPVNFUAO-MRXNPFEDSA-N 2 0 365.526 0.840 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455670086 489598045 /nfs/dbraw/zinc/59/80/45/489598045.db2.gz PVKFALQMWNPWQW-HNNXBMFYSA-N 2 0 352.483 0.923 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)n2)CC1 ZINC000427272447 489600219 /nfs/dbraw/zinc/60/02/19/489600219.db2.gz CKBPHGZXXPZWNH-UHFFFAOYSA-N 2 0 350.467 0.593 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)C1 ZINC000427291646 489600632 /nfs/dbraw/zinc/60/06/32/489600632.db2.gz IIRIAIZJNCEXNH-FUHWJXTLSA-N 2 0 358.486 1.000 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cn1 ZINC000427324340 489602553 /nfs/dbraw/zinc/60/25/53/489602553.db2.gz LNWWPRCYUJQHEN-CQSZACIVSA-N 2 0 350.467 0.279 20 0 FCADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1OC ZINC000416823032 489630772 /nfs/dbraw/zinc/63/07/72/489630772.db2.gz XUJSIPUWDMVJAO-CABCVRRESA-N 2 0 366.462 0.594 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000416970732 489637529 /nfs/dbraw/zinc/63/75/29/489637529.db2.gz OAAMRXPXMBRTMU-KRWDZBQOSA-N 2 0 350.463 0.886 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)ccn2)CC1 ZINC000416990219 489638016 /nfs/dbraw/zinc/63/80/16/489638016.db2.gz PEABYBXQGMOGAY-ZDUSSCGKSA-N 2 0 356.421 0.615 20 0 FCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417090916 489640752 /nfs/dbraw/zinc/64/07/52/489640752.db2.gz ZHSGUCQYGZMEEW-HOTGVXAUSA-N 2 0 355.527 0.992 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417295251 489646797 /nfs/dbraw/zinc/64/67/97/489646797.db2.gz DLSOJCJYIVVCQD-HZPDHXFCSA-N 2 0 353.511 0.570 20 0 FCADRP NCC(F)(F)CNC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000417304767 489647506 /nfs/dbraw/zinc/64/75/06/489647506.db2.gz ZXBVFYZWNOXFIO-UHFFFAOYSA-N 2 0 372.416 0.791 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417363219 489649901 /nfs/dbraw/zinc/64/99/01/489649901.db2.gz AQOCGIXXVXVNEG-ROUUACIJSA-N 3 0 372.517 0.845 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000417431872 489652385 /nfs/dbraw/zinc/65/23/85/489652385.db2.gz RVVOTXKRLKBIHI-QGZVFWFLSA-N 2 0 367.538 0.960 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417428358 489652619 /nfs/dbraw/zinc/65/26/19/489652619.db2.gz KUTIEIUCGZWVLI-XHSDSOJGSA-N 2 0 353.511 0.746 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417428356 489652948 /nfs/dbraw/zinc/65/29/48/489652948.db2.gz KUTIEIUCGZWVLI-OAGGEKHMSA-N 2 0 353.511 0.746 20 0 FCADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000457698304 489654041 /nfs/dbraw/zinc/65/40/41/489654041.db2.gz RJNUYGANLVLABR-UHFFFAOYSA-N 2 0 365.518 0.937 20 0 FCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457680157 489654095 /nfs/dbraw/zinc/65/40/95/489654095.db2.gz VLUKTSGWMCNAQQ-UHFFFAOYSA-N 2 0 366.550 0.757 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000555732377 491269190 /nfs/dbraw/zinc/26/91/90/491269190.db2.gz IKCILRQQMINNQP-CVEARBPZSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417461139 489655405 /nfs/dbraw/zinc/65/54/05/489655405.db2.gz KXWLTWPVGNWFQU-MRXNPFEDSA-N 2 0 353.511 0.570 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)C1 ZINC000417543295 489657405 /nfs/dbraw/zinc/65/74/05/489657405.db2.gz FTENGLVHIQRRDD-ZWKOTPCHSA-N 2 0 373.501 0.920 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000417531333 489657618 /nfs/dbraw/zinc/65/76/18/489657618.db2.gz UIOFBIVQKHZBLR-GOSISDBHSA-N 2 0 364.490 0.847 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)C1 ZINC000417550569 489658455 /nfs/dbraw/zinc/65/84/55/489658455.db2.gz VSRBCOGUMCFPLP-QZTJIDSGSA-N 2 0 373.501 0.920 20 0 FCADRP CC(C)(C[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417550932 489658551 /nfs/dbraw/zinc/65/85/51/489658551.db2.gz XTCAPHHLCZZETE-INIZCTEOSA-N 2 0 361.490 0.920 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417579602 489659111 /nfs/dbraw/zinc/65/91/11/489659111.db2.gz BAODMCFSAVIWJG-NUJGCVRESA-N 2 0 365.522 0.807 20 0 FCADRP CC1(C)C[N@@H+](C2(CNC(=O)N(CC[NH3+])CCO)CCCCC2)CCO1 ZINC000417589758 489659594 /nfs/dbraw/zinc/65/95/94/489659594.db2.gz WDLRNYNVFDIHBG-UHFFFAOYSA-N 2 0 356.511 0.763 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417606184 489659782 /nfs/dbraw/zinc/65/97/82/489659782.db2.gz DCXOKZPZQBPOKV-WBVHZDCISA-N 2 0 353.511 0.664 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417667848 489660848 /nfs/dbraw/zinc/66/08/48/489660848.db2.gz HQMGUJOLRBJSRC-ZWKOTPCHSA-N 2 0 369.554 0.718 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000417823841 489667196 /nfs/dbraw/zinc/66/71/96/489667196.db2.gz APIUXKKSBAHLBX-UKRRQHHQSA-N 2 0 355.280 0.643 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000417844565 489668101 /nfs/dbraw/zinc/66/81/01/489668101.db2.gz NXETVSFMJKGRDY-OAHLLOKOSA-N 2 0 353.511 0.746 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417846094 489668525 /nfs/dbraw/zinc/66/85/25/489668525.db2.gz PLRNGGGMWIUKID-UHFFFAOYSA-N 2 0 367.538 0.474 20 0 FCADRP C[C@H](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000418017934 489676060 /nfs/dbraw/zinc/67/60/60/489676060.db2.gz HYMFCAGOOBOZKR-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067975 489677320 /nfs/dbraw/zinc/67/73/20/489677320.db2.gz CONHRLGJFIOEHY-QZTJIDSGSA-N 2 0 362.474 0.647 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000555747198 491270648 /nfs/dbraw/zinc/27/06/48/491270648.db2.gz SJYJHIZACJTFTI-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000458437154 489683735 /nfs/dbraw/zinc/68/37/35/489683735.db2.gz RVJKLZFWOXYEKV-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448335 489684448 /nfs/dbraw/zinc/68/44/48/489684448.db2.gz XTYFKDQGVSEHDB-QFBILLFUSA-N 2 0 365.522 0.701 20 0 FCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418235663 489685588 /nfs/dbraw/zinc/68/55/88/489685588.db2.gz LJTDWJUSSWYWTO-IRXDYDNUSA-N 2 0 367.538 0.993 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273691 489686956 /nfs/dbraw/zinc/68/69/56/489686956.db2.gz BXBJVVVYXKUZSS-ZIAGYGMSSA-N 2 0 365.444 0.854 20 0 FCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000418300323 489690201 /nfs/dbraw/zinc/69/02/01/489690201.db2.gz VFJDDCPUEPDNEV-CVEARBPZSA-N 2 0 365.522 0.938 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418383152 489694947 /nfs/dbraw/zinc/69/49/47/489694947.db2.gz ZBZKPTKYPXNUGK-SJORKVTESA-N 2 0 361.490 0.327 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418385362 489695747 /nfs/dbraw/zinc/69/57/47/489695747.db2.gz PJKSTQDDSKYFKU-JKSUJKDBSA-N 2 0 353.511 0.923 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000418513183 489702671 /nfs/dbraw/zinc/70/26/71/489702671.db2.gz URTKYLCWMIKPQU-IAGOWNOFSA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H](CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836199 491272280 /nfs/dbraw/zinc/27/22/80/491272280.db2.gz NDUVYELWSUEIQR-INMHGKMJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@]1(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000418533320 489704933 /nfs/dbraw/zinc/70/49/33/489704933.db2.gz DHHCZOMSMZIZSZ-GJYPPUQNSA-N 2 0 365.522 0.666 20 0 FCADRP CN1C(=O)N[C@]2(CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1=O ZINC000563852407 491272578 /nfs/dbraw/zinc/27/25/78/491272578.db2.gz FPYZFXIMRLFOKU-IBGZPJMESA-N 2 0 358.442 0.645 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611935 489710031 /nfs/dbraw/zinc/71/00/31/489710031.db2.gz IFISPWXGQJOXOF-ZDUSSCGKSA-N 2 0 353.433 0.806 20 0 FCADRP COCCN(CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCO[C@@H]1C ZINC000489406565 489710214 /nfs/dbraw/zinc/71/02/14/489710214.db2.gz QBRCVTMNNZVDRU-HZPDHXFCSA-N 2 0 357.495 0.339 20 0 FCADRP COCCN(CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCO[C@H]1C ZINC000489406569 489710663 /nfs/dbraw/zinc/71/06/63/489710663.db2.gz QBRCVTMNNZVDRU-JKSUJKDBSA-N 2 0 357.495 0.339 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875260 491274223 /nfs/dbraw/zinc/27/42/23/491274223.db2.gz DWZOAWTWKKEHBD-ZIAGYGMSSA-N 2 0 365.444 0.806 20 0 FCADRP C[C@H]1NC(=O)N(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000459417947 489731537 /nfs/dbraw/zinc/73/15/37/489731537.db2.gz WFVRYNIFBVZEGH-OAHLLOKOSA-N 2 0 352.479 0.751 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810274 489733501 /nfs/dbraw/zinc/73/35/01/489733501.db2.gz HAFVNNLPNCBFEA-OXQOHEQNSA-N 2 0 358.486 0.978 20 0 FCADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2ccccn2)CC1 ZINC000489943577 489736613 /nfs/dbraw/zinc/73/66/13/489736613.db2.gz UFXZKTXEBAJFLE-SFHVURJKSA-N 2 0 372.517 0.100 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987089 489739169 /nfs/dbraw/zinc/73/91/69/489739169.db2.gz GJXFNNNIXIVFPF-HZPDHXFCSA-N 2 0 368.547 0.484 20 0 FCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCCC1 ZINC000418827565 489742228 /nfs/dbraw/zinc/74/22/28/489742228.db2.gz CHGDGCSAXFGUGW-MRXNPFEDSA-N 2 0 374.485 0.946 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccs1 ZINC000418830048 489743458 /nfs/dbraw/zinc/74/34/58/489743458.db2.gz JCSDWJLHKMLRIA-KBUPBQIOSA-N 2 0 364.515 0.971 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836084 489746425 /nfs/dbraw/zinc/74/64/25/489746425.db2.gz PAUMOEIZEJCJJK-ZIAGYGMSSA-N 2 0 354.495 0.596 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418835895 489746853 /nfs/dbraw/zinc/74/68/53/489746853.db2.gz QFDWTWGOKFQWTO-OCCSQVGLSA-N 2 0 366.462 0.228 20 0 FCADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430569653 489746930 /nfs/dbraw/zinc/74/69/30/489746930.db2.gz MEZVZLLTULYYQE-JTQLQIEISA-N 2 0 354.373 0.593 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000418838024 489749253 /nfs/dbraw/zinc/74/92/53/489749253.db2.gz UWGZHZHKIDKKQQ-SUMWQHHRSA-N 2 0 352.504 0.973 20 0 FCADRP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600323 489750656 /nfs/dbraw/zinc/75/06/56/489750656.db2.gz HLVXVYYIGDZFCE-DZGCQCFKSA-N 2 0 364.515 0.808 20 0 FCADRP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600976 489751143 /nfs/dbraw/zinc/75/11/43/489751143.db2.gz CCRPOBBPAWPBHS-MRXNPFEDSA-N 2 0 364.465 0.961 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000430606374 489751866 /nfs/dbraw/zinc/75/18/66/489751866.db2.gz VHKACMSEOPQCFB-AWEZNQCLSA-N 2 0 352.866 0.743 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474307968 489752573 /nfs/dbraw/zinc/75/25/73/489752573.db2.gz UCFPXMGACDLRCG-PVUWLOKVSA-N 2 0 368.428 0.626 20 0 FCADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611592 489753205 /nfs/dbraw/zinc/75/32/05/489753205.db2.gz ORIQBFJAIGPHCK-HOCLYGCPSA-N 2 0 362.474 0.487 20 0 FCADRP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611593 489753212 /nfs/dbraw/zinc/75/32/12/489753212.db2.gz ORIQBFJAIGPHCK-ZBFHGGJFSA-N 2 0 362.474 0.487 20 0 FCADRP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611683 489753933 /nfs/dbraw/zinc/75/39/33/489753933.db2.gz PMWUFERAYNJDJI-OAHLLOKOSA-N 2 0 350.438 0.571 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000418850172 489755114 /nfs/dbraw/zinc/75/51/14/489755114.db2.gz DTFAXKVFMXDSIW-RHSMWYFYSA-N 2 0 362.474 0.659 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418849809 489755232 /nfs/dbraw/zinc/75/52/32/489755232.db2.gz NIUWHSSVLWMFAK-FGTMMUONSA-N 2 0 360.502 0.909 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+]2CCCC2)c1 ZINC000418849183 489755318 /nfs/dbraw/zinc/75/53/18/489755318.db2.gz CSLGEHWBJWKVJD-QGZVFWFLSA-N 2 0 374.485 0.946 20 0 FCADRP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624444 489756522 /nfs/dbraw/zinc/75/65/22/489756522.db2.gz IGFDENHEMNDRAB-DZGCQCFKSA-N 2 0 350.438 0.617 20 0 FCADRP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620862 489756551 /nfs/dbraw/zinc/75/65/51/489756551.db2.gz IKIQKWQGZQREMQ-GDBMZVCRSA-N 2 0 364.465 0.960 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC000430624611 489756745 /nfs/dbraw/zinc/75/67/45/489756745.db2.gz JEDJKPPLICWYAI-KRWDZBQOSA-N 2 0 350.507 0.827 20 0 FCADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632626 489758946 /nfs/dbraw/zinc/75/89/46/489758946.db2.gz YEHPZHSWYWTDQP-KGLIPLIRSA-N 2 0 367.494 0.320 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418855263 489759110 /nfs/dbraw/zinc/75/91/10/489759110.db2.gz UPKBUBJWEDAZGK-INDMIFKZSA-N 2 0 372.513 0.861 20 0 FCADRP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640869 489759812 /nfs/dbraw/zinc/75/98/12/489759812.db2.gz LEKSPNGQIGSQQF-MSOLQXFVSA-N 2 0 358.486 0.960 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@H]1C[NH3+] ZINC000418856949 489760260 /nfs/dbraw/zinc/76/02/60/489760260.db2.gz XXONSULOAYHVRN-NJAFHUGGSA-N 2 0 360.502 0.861 20 0 FCADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637536 489760334 /nfs/dbraw/zinc/76/03/34/489760334.db2.gz BKYAADPERPVDMT-INIZCTEOSA-N 2 0 362.474 0.441 20 0 FCADRP O=C([C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1)N1CC[NH2+]CC1 ZINC000430639902 489761019 /nfs/dbraw/zinc/76/10/19/489761019.db2.gz GQISOFGAVCGJGY-OAHLLOKOSA-N 2 0 355.442 0.338 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000418858501 489761217 /nfs/dbraw/zinc/76/12/17/489761217.db2.gz JQVWRZSJIIDZLN-KBPBESRZSA-N 2 0 350.488 0.855 20 0 FCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000418859722 489761386 /nfs/dbraw/zinc/76/13/86/489761386.db2.gz BFTNLKMNWWPRON-JCYILVPMSA-N 2 0 350.507 0.999 20 0 FCADRP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643223 489761995 /nfs/dbraw/zinc/76/19/95/489761995.db2.gz QRKFOFQXRPRCEB-SFHVURJKSA-N 2 0 360.502 0.994 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430647521 489762312 /nfs/dbraw/zinc/76/23/12/489762312.db2.gz YDDCGLSATCMRJK-CQSZACIVSA-N 2 0 366.437 0.108 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]1 ZINC000418860685 489762623 /nfs/dbraw/zinc/76/26/23/489762623.db2.gz MBDQVAFHBOSFGQ-ZIAGYGMSSA-N 2 0 350.488 0.822 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418862213 489763395 /nfs/dbraw/zinc/76/33/95/489763395.db2.gz NXSQVKMGAVKBJT-KSZLIROESA-N 2 0 356.470 0.618 20 0 FCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663462 489763544 /nfs/dbraw/zinc/76/35/44/489763544.db2.gz JRPXROVLBJGORW-KGLIPLIRSA-N 2 0 367.494 0.143 20 0 FCADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418862817 489763742 /nfs/dbraw/zinc/76/37/42/489763742.db2.gz OUBZBZIPBUZUSJ-SQNIBIBYSA-N 2 0 356.470 0.760 20 0 FCADRP CCc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418861927 489764117 /nfs/dbraw/zinc/76/41/17/489764117.db2.gz NUYLVBQPISTNIL-IAGOWNOFSA-N 2 0 362.474 0.154 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418871279 489768044 /nfs/dbraw/zinc/76/80/44/489768044.db2.gz VEQWAZLLLBEMKU-LSDHHAIUSA-N 2 0 354.495 0.189 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000418871596 489768155 /nfs/dbraw/zinc/76/81/55/489768155.db2.gz FEPRGHLVCOBVRV-FUHWJXTLSA-N 2 0 374.485 0.898 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000418875602 489770194 /nfs/dbraw/zinc/77/01/94/489770194.db2.gz KXERZHOEDIVYHO-MAUKXSAKSA-N 2 0 374.485 0.769 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418877872 489771465 /nfs/dbraw/zinc/77/14/65/489771465.db2.gz PTXVXOQFKHLOGJ-MSOLQXFVSA-N 2 0 374.485 0.802 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000418881848 489773237 /nfs/dbraw/zinc/77/32/37/489773237.db2.gz RQWXKIORBNLARC-MRXNPFEDSA-N 2 0 368.522 0.452 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418881033 489773749 /nfs/dbraw/zinc/77/37/49/489773749.db2.gz WORKPXJSYHHRJQ-ROUUACIJSA-N 2 0 374.485 0.802 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000418881032 489773827 /nfs/dbraw/zinc/77/38/27/489773827.db2.gz WORKPXJSYHHRJQ-QZTJIDSGSA-N 2 0 374.485 0.802 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418883350 489774262 /nfs/dbraw/zinc/77/42/62/489774262.db2.gz UZSHUKHEUVYPOY-QZTJIDSGSA-N 2 0 374.485 0.080 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H]1C[NH3+] ZINC000418885237 489774928 /nfs/dbraw/zinc/77/49/28/489774928.db2.gz YGJMYFGWTVGNRG-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP CN1CCO[C@H]([C@@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950944 491278698 /nfs/dbraw/zinc/27/86/98/491278698.db2.gz AQCXCUUAXSIZLF-WMZOPIPTSA-N 2 0 366.893 0.733 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000418922014 489791965 /nfs/dbraw/zinc/79/19/65/489791965.db2.gz DDEUYHOSTGEDAA-OAGGEKHMSA-N 2 0 366.506 0.060 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000490995011 489792262 /nfs/dbraw/zinc/79/22/62/489792262.db2.gz MYBKZPGQBKHPJZ-PKOBYXMFSA-N 2 0 365.566 0.545 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000418937218 489796241 /nfs/dbraw/zinc/79/62/41/489796241.db2.gz FWXKMSGWOVFAJS-LSDHHAIUSA-N 2 0 350.463 0.895 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccco1 ZINC000418945566 489799478 /nfs/dbraw/zinc/79/94/78/489799478.db2.gz PXTZFMMRSQEYRA-ARFHVFGLSA-N 2 0 362.474 0.847 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccco1 ZINC000418947620 489800149 /nfs/dbraw/zinc/80/01/49/489800149.db2.gz SPSJWGYHDPPKAV-RBSFLKMASA-N 2 0 350.463 0.974 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1ccco1 ZINC000418948336 489800305 /nfs/dbraw/zinc/80/03/05/489800305.db2.gz TWJRLKZZLBLJEQ-SOUVJXGZSA-N 2 0 350.463 0.988 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418956896 489803482 /nfs/dbraw/zinc/80/34/82/489803482.db2.gz SUTSJWDEXZCOJH-IKGGRYGDSA-N 2 0 368.522 0.504 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1F ZINC000418960947 489805295 /nfs/dbraw/zinc/80/52/95/489805295.db2.gz JIJUNBPQWDSILR-HOCLYGCPSA-N 2 0 362.449 0.571 20 0 FCADRP C[C@H]1[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCC[N@@H+]1C ZINC000431459614 489806049 /nfs/dbraw/zinc/80/60/49/489806049.db2.gz OOQGTEJTKQBDNM-HOTGVXAUSA-N 2 0 353.511 0.761 20 0 FCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418970101 489807546 /nfs/dbraw/zinc/80/75/46/489807546.db2.gz WCDXVDSOUWVQRO-OAHLLOKOSA-N 2 0 362.474 0.631 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000459986242 489809251 /nfs/dbraw/zinc/80/92/51/489809251.db2.gz FVQCRNODQOKIAP-GOSISDBHSA-N 2 0 362.518 0.731 20 0 FCADRP C[N@H+](CCNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000491837684 489812531 /nfs/dbraw/zinc/81/25/31/489812531.db2.gz MZXZZZQXPSLAMD-UHFFFAOYSA-N 2 0 374.489 0.514 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419001294 489814226 /nfs/dbraw/zinc/81/42/26/489814226.db2.gz AKIDMUFNJFFDSU-UHFFFAOYSA-N 2 0 352.866 0.838 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000460001571 489815430 /nfs/dbraw/zinc/81/54/30/489815430.db2.gz YZUURTCLRYSDEY-IRXDYDNUSA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000460018693 489819675 /nfs/dbraw/zinc/81/96/75/489819675.db2.gz OULLYXYZTNBJEE-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419021346 489820859 /nfs/dbraw/zinc/82/08/59/489820859.db2.gz GXXSTLIRLUWJHH-FZKCQIBNSA-N 2 0 354.495 0.045 20 0 FCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000460021178 489820898 /nfs/dbraw/zinc/82/08/98/489820898.db2.gz PYOKMEWYIDDZEX-KRWDZBQOSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419020183 489820948 /nfs/dbraw/zinc/82/09/48/489820948.db2.gz RRTLYARTRJBTGM-GOSISDBHSA-N 2 0 374.485 0.393 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419023160 489821568 /nfs/dbraw/zinc/82/15/68/489821568.db2.gz JFJVFYPTBLZTRB-NNXHMXCWSA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000563976880 491281141 /nfs/dbraw/zinc/28/11/41/491281141.db2.gz PXRHWNAMEVABTM-LLLHUVSDSA-N 2 0 359.474 0.631 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419027287 489823786 /nfs/dbraw/zinc/82/37/86/489823786.db2.gz OIUMDPDXZDWRKQ-XHSDSOJGSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419029674 489824220 /nfs/dbraw/zinc/82/42/20/489824220.db2.gz GICSXEXQGIBUMF-HNNXBMFYSA-N 2 0 368.547 0.675 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419036238 489828018 /nfs/dbraw/zinc/82/80/18/489828018.db2.gz BFQIMOUDVRGSEU-LSDHHAIUSA-N 2 0 354.495 0.201 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419040660 489830374 /nfs/dbraw/zinc/83/03/74/489830374.db2.gz WYBDYKZNRPIHJP-UHFFFAOYSA-N 2 0 354.520 0.190 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419048263 489834457 /nfs/dbraw/zinc/83/44/57/489834457.db2.gz ZTPANSSDRZAOPQ-QGZVFWFLSA-N 2 0 368.522 0.626 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000419065493 489841834 /nfs/dbraw/zinc/84/18/34/489841834.db2.gz ADNLKHJANXOIBE-ROUUACIJSA-N 2 0 374.485 0.467 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068561 489843958 /nfs/dbraw/zinc/84/39/58/489843958.db2.gz FQLUYWQVSYLKFN-PBHICJAKSA-N 2 0 364.490 1.000 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419069408 489844314 /nfs/dbraw/zinc/84/43/14/489844314.db2.gz IZUSWEGMQXBIFY-KDURUIRLSA-N 2 0 370.497 0.693 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000460233998 489857073 /nfs/dbraw/zinc/85/70/73/489857073.db2.gz DVCVTJHLIIJUJZ-WMZOPIPTSA-N 2 0 356.511 0.489 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000460234335 489857342 /nfs/dbraw/zinc/85/73/42/489857342.db2.gz WZQYDTVHAUYMGH-MJGOQNOKSA-N 2 0 362.474 0.119 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000460251341 489858120 /nfs/dbraw/zinc/85/81/20/489858120.db2.gz CRCAGWTUWAZCKO-SFHVURJKSA-N 2 0 350.463 0.493 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419113761 489861014 /nfs/dbraw/zinc/86/10/14/489861014.db2.gz WGVJIGFUJZFUFW-UHFFFAOYSA-N 2 0 362.474 0.237 20 0 FCADRP CN(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000476042065 489864097 /nfs/dbraw/zinc/86/40/97/489864097.db2.gz MZIGGHIUONNUCP-UHFFFAOYSA-N 2 0 363.510 0.582 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCNC(=O)[C@@H]2c2cccs2)CC1 ZINC000433114185 489866778 /nfs/dbraw/zinc/86/67/78/489866778.db2.gz GHMLQDTWGDAKSC-INIZCTEOSA-N 2 0 350.488 0.951 20 0 FCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433136810 489867476 /nfs/dbraw/zinc/86/74/76/489867476.db2.gz NBHOLVVNXZHKSO-INIZCTEOSA-N 3 0 354.539 0.741 20 0 FCADRP C[C@@]1(c2cccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)c2)NC(=O)NC1=O ZINC000433129290 489867923 /nfs/dbraw/zinc/86/79/23/489867923.db2.gz NOPBRZMUOKDNCZ-IBGZPJMESA-N 2 0 373.457 0.883 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCCCC1 ZINC000419125585 489868655 /nfs/dbraw/zinc/86/86/55/489868655.db2.gz KFDFURYSVYCNBP-IXDOHACOSA-N 2 0 350.507 0.681 20 0 FCADRP Cc1cc(C)n(C[C@H]2CN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CCO2)n1 ZINC000433143077 489869087 /nfs/dbraw/zinc/86/90/87/489869087.db2.gz GSGMRFGRKOTEEU-GOSISDBHSA-N 2 0 363.506 0.931 20 0 FCADRP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166137 489869912 /nfs/dbraw/zinc/86/99/12/489869912.db2.gz DYARIWABPGTYIS-OAHLLOKOSA-N 2 0 365.522 0.001 20 0 FCADRP C[C@@H]1C[NH+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000494127615 489870580 /nfs/dbraw/zinc/87/05/80/489870580.db2.gz MVFGGHJBJIWZLS-IAGOWNOFSA-N 2 0 363.506 0.967 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433336342 489876177 /nfs/dbraw/zinc/87/61/77/489876177.db2.gz PEUONBILSQUFFT-MRXNPFEDSA-N 2 0 356.511 0.897 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433334979 489876367 /nfs/dbraw/zinc/87/63/67/489876367.db2.gz JQIIVYMRRSPVPL-DLBZAZTESA-N 2 0 355.527 0.422 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CCCO1 ZINC000433339313 489877165 /nfs/dbraw/zinc/87/71/65/489877165.db2.gz ZPZBIIDAPVQQKG-INIZCTEOSA-N 2 0 356.511 0.897 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419999761 489877423 /nfs/dbraw/zinc/87/74/23/489877423.db2.gz SLNSXGBHVLAJEE-RDJZCZTQSA-N 2 0 361.490 0.748 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433372609 489879719 /nfs/dbraw/zinc/87/97/19/489879719.db2.gz AVIKIOVIROFZGV-INIZCTEOSA-N 2 0 363.510 0.206 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420018748 489882204 /nfs/dbraw/zinc/88/22/04/489882204.db2.gz PYHDGHDIHHBRJD-JYJNAYRXSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420018750 489882553 /nfs/dbraw/zinc/88/25/53/489882553.db2.gz PYHDGHDIHHBRJD-PMPSAXMXSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020270 489883466 /nfs/dbraw/zinc/88/34/66/489883466.db2.gz FBRGOAMOFKOWJA-CGTJXYLNSA-N 2 0 358.486 0.963 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420020421 489883487 /nfs/dbraw/zinc/88/34/87/489883487.db2.gz SETDEQNIGSOVMX-IXDOHACOSA-N 2 0 366.506 0.191 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420023370 489883958 /nfs/dbraw/zinc/88/39/58/489883958.db2.gz XFZLZLNEYLMRCI-IRXDYDNUSA-N 2 0 366.506 0.191 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461225 489886596 /nfs/dbraw/zinc/88/65/96/489886596.db2.gz DHPKXOKOAWMERS-CVEARBPZSA-N 2 0 369.510 0.126 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420043692 489891993 /nfs/dbraw/zinc/89/19/93/489891993.db2.gz SENPOEYYOXIPJP-MRXNPFEDSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420051012 489893431 /nfs/dbraw/zinc/89/34/31/489893431.db2.gz ZQLYRCURYDNLJA-ARFHVFGLSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000420051363 489894557 /nfs/dbraw/zinc/89/45/57/489894557.db2.gz DWHKTLUEOWXPNA-VYDXJSESSA-N 2 0 366.506 0.332 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@H]2C1 ZINC000420064804 489899866 /nfs/dbraw/zinc/89/98/66/489899866.db2.gz WOIGORCWRNKQPA-RDJZCZTQSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420075459 489904781 /nfs/dbraw/zinc/90/47/81/489904781.db2.gz SMRVJANHNWNPQF-RDJZCZTQSA-N 2 0 350.507 0.810 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433925903 489904846 /nfs/dbraw/zinc/90/48/46/489904846.db2.gz XCHOGXDGURPJEP-JKSUJKDBSA-N 2 0 351.495 0.642 20 0 FCADRP C[NH+](Cc1cccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000461387885 489907253 /nfs/dbraw/zinc/90/72/53/489907253.db2.gz SYTWFLOAQFOUSX-WOJBJXKFSA-N 2 0 364.486 0.853 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420087414 489907594 /nfs/dbraw/zinc/90/75/94/489907594.db2.gz POQXRKICXBDWRY-IRXDYDNUSA-N 2 0 368.522 0.579 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420092479 489908951 /nfs/dbraw/zinc/90/89/51/489908951.db2.gz GDGJENIMAHIXSK-QAPCUYQASA-N 2 0 354.495 0.062 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000420096054 489910124 /nfs/dbraw/zinc/91/01/24/489910124.db2.gz UIYDRICMXNJDQW-UHFFFAOYSA-N 2 0 366.506 0.335 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]C1 ZINC000420095698 489910326 /nfs/dbraw/zinc/91/03/26/489910326.db2.gz IKCRJXCBFPMHGE-IBGZPJMESA-N 2 0 366.506 0.063 20 0 FCADRP O=C(Cc1ccc(CC(=O)NCC[NH+]2CCC2)cc1)NCC[NH+]1CCC1 ZINC000461454051 489910762 /nfs/dbraw/zinc/91/07/62/489910762.db2.gz QMMDQMPTQYRURF-UHFFFAOYSA-N 2 0 358.486 0.415 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420103639 489913197 /nfs/dbraw/zinc/91/31/97/489913197.db2.gz PTMUNFUQQMFGRU-SFHVURJKSA-N 2 0 374.485 0.475 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000420112032 489916239 /nfs/dbraw/zinc/91/62/39/489916239.db2.gz XIRDKYSEDYFOPQ-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377535411 489916711 /nfs/dbraw/zinc/91/67/11/489916711.db2.gz GZUSHXNFROKWOZ-KRWDZBQOSA-N 2 0 350.507 0.528 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)CC1 ZINC000420114767 489917302 /nfs/dbraw/zinc/91/73/02/489917302.db2.gz JPYRGHXIYJAOST-XGHPGWEVSA-N 2 0 350.507 0.824 20 0 FCADRP CC1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000420129046 489923227 /nfs/dbraw/zinc/92/32/27/489923227.db2.gz VFRTXCLLFFYPQA-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000377576795 489924280 /nfs/dbraw/zinc/92/42/80/489924280.db2.gz GFNBHXZDOODTID-DLBZAZTESA-N 2 0 354.495 0.650 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420142185 489928360 /nfs/dbraw/zinc/92/83/60/489928360.db2.gz TVSJNNAWVZHPPH-UHFFFAOYSA-N 2 0 350.507 0.993 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477030991 489933125 /nfs/dbraw/zinc/93/31/25/489933125.db2.gz XAVZKTXOHPRYGE-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169573 489938732 /nfs/dbraw/zinc/93/87/32/489938732.db2.gz RKLGXCDXKQHEIY-XHSDSOJGSA-N 2 0 350.507 0.824 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000477067973 489938799 /nfs/dbraw/zinc/93/87/99/489938799.db2.gz PJGHVZCBRUCCQJ-CVEARBPZSA-N 2 0 356.511 0.450 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000477069432 489938972 /nfs/dbraw/zinc/93/89/72/489938972.db2.gz QYYLITJHDUJRRM-JKSUJKDBSA-N 2 0 368.522 0.545 20 0 FCADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000461788903 489939147 /nfs/dbraw/zinc/93/91/47/489939147.db2.gz YCTOAVUEQPUYHP-KRWDZBQOSA-N 2 0 352.523 0.807 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189290 489945725 /nfs/dbraw/zinc/94/57/25/489945725.db2.gz DIHUKVWIWDXQBC-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420199537 489949592 /nfs/dbraw/zinc/94/95/92/489949592.db2.gz FAERPKQRRRVJMN-QGZVFWFLSA-N 2 0 374.485 0.343 20 0 FCADRP CC(C[NH+](C)[C@@H](C)CN1CCOCC1)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713776 489950759 /nfs/dbraw/zinc/95/07/59/489950759.db2.gz KHBXVDOUWYMFOY-PMACEKPBSA-N 2 0 370.582 0.928 20 0 FCADRP C[C@@]1(O)CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420205647 489952330 /nfs/dbraw/zinc/95/23/30/489952330.db2.gz NUWDXWMERIACPY-LJQANCHMSA-N 2 0 374.485 0.079 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCN1CCOC ZINC000420212198 489953779 /nfs/dbraw/zinc/95/37/79/489953779.db2.gz TWNCYCMRAPRVRS-ARFHVFGLSA-N 2 0 354.495 0.189 20 0 FCADRP COC(=O)c1cc(NC(=O)CN2C[C@@H](C[NH3+])C[C@H]2C)cc(C(=O)OC)c1 ZINC000420308142 489961785 /nfs/dbraw/zinc/96/17/85/489961785.db2.gz CMBYYCLNPLBXOA-VXGBXAGGSA-N 2 0 363.414 0.867 20 0 FCADRP CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420319766 489962690 /nfs/dbraw/zinc/96/26/90/489962690.db2.gz SCULWIKRPWANDL-CQSZACIVSA-N 2 0 363.462 0.857 20 0 FCADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000420369671 489968909 /nfs/dbraw/zinc/96/89/09/489968909.db2.gz XYSNRHVACHKDNL-MRXNPFEDSA-N 2 0 355.504 0.999 20 0 FCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556076670 491292268 /nfs/dbraw/zinc/29/22/68/491292268.db2.gz SUWOHAHNAKTLDO-KRWDZBQOSA-N 2 0 371.485 0.515 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H](C)CO1 ZINC000462472092 489977687 /nfs/dbraw/zinc/97/76/87/489977687.db2.gz WPGRURPHFGBYQJ-JKSUJKDBSA-N 2 0 364.556 0.546 20 0 FCADRP CSC1(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC[NH+](C)CC1 ZINC000462505855 489978856 /nfs/dbraw/zinc/97/88/56/489978856.db2.gz CWCGKIFYKBEJRH-LSDHHAIUSA-N 2 0 358.552 0.910 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000478247770 490011586 /nfs/dbraw/zinc/01/15/86/490011586.db2.gz BZQZXZJJPOSQBH-IBGZPJMESA-N 2 0 360.502 0.689 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC000463418215 490016255 /nfs/dbraw/zinc/01/62/55/490016255.db2.gz FIJMOJOFZOTTKX-KRWDZBQOSA-N 2 0 359.536 0.702 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000420840085 490025216 /nfs/dbraw/zinc/02/52/16/490025216.db2.gz NXQWBMNEWPSOOK-MSOLQXFVSA-N 2 0 360.502 0.828 20 0 FCADRP Cc1c(Cl)cncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000564291541 491298330 /nfs/dbraw/zinc/29/83/30/491298330.db2.gz URDQSAWLMSUIGI-UHFFFAOYSA-N 2 0 355.870 0.934 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061399 490066146 /nfs/dbraw/zinc/06/61/46/490066146.db2.gz ROELBQQQTDYZMM-QWHCGFSZSA-N 2 0 354.476 0.722 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000443355403 490070314 /nfs/dbraw/zinc/07/03/14/490070314.db2.gz APUFMHUHSIPVIU-ZBFHGGJFSA-N 2 0 370.457 1.537 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000443355400 490070783 /nfs/dbraw/zinc/07/07/83/490070783.db2.gz APUFMHUHSIPVIU-GOEBONIOSA-N 2 0 370.457 1.537 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000506321247 490080806 /nfs/dbraw/zinc/08/08/06/490080806.db2.gz KWMNZFZVWBTFGA-UHFFFAOYSA-N 2 0 353.511 0.618 20 0 FCADRP CC[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000532672973 490094255 /nfs/dbraw/zinc/09/42/55/490094255.db2.gz BMEMFSPZFHJIBP-RBUKOAKNSA-N 2 0 366.550 0.898 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000545252142 490104815 /nfs/dbraw/zinc/10/48/15/490104815.db2.gz LBLZQEJWKGPJQV-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000564325744 491300979 /nfs/dbraw/zinc/30/09/79/491300979.db2.gz HSXOAFDEESNZFB-UHFFFAOYSA-N 2 0 360.502 0.961 20 0 FCADRP CCC[NH+](C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC000497035020 490135342 /nfs/dbraw/zinc/13/53/42/490135342.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 2 0 358.552 0.730 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCC[NH2+]CC1 ZINC000390956835 490139339 /nfs/dbraw/zinc/13/93/39/490139339.db2.gz VRRVJKRQVYDSNK-GOSISDBHSA-N 2 0 374.485 0.216 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000571355364 491302643 /nfs/dbraw/zinc/30/26/43/491302643.db2.gz UERHZQANIRJKPE-MGNMYUMUSA-N 2 0 365.522 0.806 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465868920 490148592 /nfs/dbraw/zinc/14/85/92/490148592.db2.gz GTLLAQUBNCETAT-INIZCTEOSA-N 2 0 353.511 0.713 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465951175 490155747 /nfs/dbraw/zinc/15/57/47/490155747.db2.gz NNXHSORTWCHDCR-QGZVFWFLSA-N 2 0 368.522 0.994 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466033512 490160345 /nfs/dbraw/zinc/16/03/45/490160345.db2.gz LDWJCNNWGCVCLO-HZPDHXFCSA-N 2 0 353.511 0.665 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012273 490166301 /nfs/dbraw/zinc/16/63/01/490166301.db2.gz UDVWRPDELLQQBF-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000497489752 490168068 /nfs/dbraw/zinc/16/80/68/490168068.db2.gz RBINGPXBMNNSTP-IBGZPJMESA-N 2 0 363.550 0.393 20 0 FCADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608412 490170029 /nfs/dbraw/zinc/17/00/29/490170029.db2.gz XZZAEKKVRASREZ-WOJBJXKFSA-N 2 0 359.470 0.196 20 0 FCADRP Cc1cc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000422120200 490170903 /nfs/dbraw/zinc/17/09/03/490170903.db2.gz MEZJXVJSNBFHDB-UHFFFAOYSA-N 2 0 356.474 0.995 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422121156 490174367 /nfs/dbraw/zinc/17/43/67/490174367.db2.gz QVDYEAIKIWYWBC-DOTOQJQBSA-N 2 0 366.506 0.251 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000507134566 490181136 /nfs/dbraw/zinc/18/11/36/490181136.db2.gz HHIOUXMVYUNVLG-CVEARBPZSA-N 2 0 353.511 0.746 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000571428366 491307605 /nfs/dbraw/zinc/30/76/05/491307605.db2.gz IBRKCMHRNWRQCF-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCCC1 ZINC000520979657 490210230 /nfs/dbraw/zinc/21/02/30/490210230.db2.gz HCUXAOWRTPXKFL-MRXNPFEDSA-N 2 0 367.538 0.960 20 0 FCADRP Cc1cccc2nc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)cc(=O)n12 ZINC000507404016 490216354 /nfs/dbraw/zinc/21/63/54/490216354.db2.gz NFGYVPVSMQBYCK-UHFFFAOYSA-N 2 0 371.485 0.893 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291848 490235693 /nfs/dbraw/zinc/23/56/93/490235693.db2.gz FMSHYZYQEVOHCW-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355202 491310698 /nfs/dbraw/zinc/31/06/98/491310698.db2.gz POJBVOHARGQIQI-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP COC(=O)c1ncsc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000547322934 490278382 /nfs/dbraw/zinc/27/83/82/490278382.db2.gz GCRDRYDSGHHWAJ-UHFFFAOYSA-N 2 0 364.493 0.044 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000533982210 490307713 /nfs/dbraw/zinc/30/77/13/490307713.db2.gz PAZNFEMWQOHQBT-UHFFFAOYSA-N 2 0 368.570 0.339 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000483433121 490316660 /nfs/dbraw/zinc/31/66/60/490316660.db2.gz XVOCNAQZPXQVKN-CVEARBPZSA-N 2 0 368.522 0.545 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000498619657 490319071 /nfs/dbraw/zinc/31/90/71/490319071.db2.gz URAGNQIEAUUVKS-SJORKVTESA-N 2 0 370.538 0.972 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208251 490319918 /nfs/dbraw/zinc/31/99/18/490319918.db2.gz GFHMXHHJESTTPI-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP CC[C@@]1(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707772 490334046 /nfs/dbraw/zinc/33/40/46/490334046.db2.gz USFHBEGRLNILPH-MJGOQNOKSA-N 2 0 352.523 0.772 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000508501613 490334475 /nfs/dbraw/zinc/33/44/75/490334475.db2.gz CWAOJPKLSNMBQO-UHFFFAOYSA-N 2 0 367.538 0.027 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484090 490350930 /nfs/dbraw/zinc/35/09/30/490350930.db2.gz BWIWKBXXKMHBSO-IRXDYDNUSA-N 2 0 368.522 0.404 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000498857789 490354547 /nfs/dbraw/zinc/35/45/47/490354547.db2.gz JOCJXJMZYTXJNX-KRWDZBQOSA-N 2 0 350.507 0.945 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC000409626143 490357303 /nfs/dbraw/zinc/35/73/03/490357303.db2.gz QNKWDFMMLDWUKX-IAGOWNOFSA-N 2 0 351.495 0.982 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000422493672 490359700 /nfs/dbraw/zinc/35/97/00/490359700.db2.gz YVVUJGFALXYQPF-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000448528940 490362421 /nfs/dbraw/zinc/36/24/21/490362421.db2.gz KZSIWUJJQAULIV-UHFFFAOYSA-N 2 0 364.494 0.764 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953832 490371139 /nfs/dbraw/zinc/37/11/39/490371139.db2.gz DSRJYBNVGUKPLR-SJORKVTESA-N 2 0 350.507 0.943 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410992962 490376720 /nfs/dbraw/zinc/37/67/20/490376720.db2.gz XXKNIQSDSWWQGD-IRXDYDNUSA-N 2 0 350.507 0.729 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccoc1CC(N)=O ZINC000509067302 490386667 /nfs/dbraw/zinc/38/66/67/490386667.db2.gz GEODSYJVEMYSQB-CQSZACIVSA-N 2 0 350.463 0.796 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339899 490409229 /nfs/dbraw/zinc/40/92/29/490409229.db2.gz LNHDOKXVHZPPTM-UZLBHIALSA-N 2 0 358.486 0.621 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000499340574 490414890 /nfs/dbraw/zinc/41/48/90/490414890.db2.gz HBPZLAUQLGLQDC-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CC1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](C)C2)[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000449849564 490432692 /nfs/dbraw/zinc/43/26/92/490432692.db2.gz NVIBVUDGTZUIQJ-BRSBDYLESA-N 2 0 364.534 0.689 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000535007801 490435715 /nfs/dbraw/zinc/43/57/15/490435715.db2.gz NMLIFYNPRMNPIL-CEXWTWQISA-N 2 0 363.550 0.393 20 0 FCADRP CN1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000564787482 491326262 /nfs/dbraw/zinc/32/62/62/491326262.db2.gz YCEOMZCOVGFUGJ-RBUKOAKNSA-N 2 0 374.533 0.259 20 0 FCADRP C[C@@H]1C[C@@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422638685 490438621 /nfs/dbraw/zinc/43/86/21/490438621.db2.gz QXEDYZSSDLJVTG-MGPQQGTHSA-N 2 0 362.478 0.129 20 0 FCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000571747443 491326461 /nfs/dbraw/zinc/32/64/61/491326461.db2.gz AHQUAMZYAFCPIF-BRWVUGGUSA-N 2 0 374.551 0.348 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000450133875 490445202 /nfs/dbraw/zinc/44/52/02/490445202.db2.gz MXDRLWZTQUFOKI-WBVHZDCISA-N 2 0 365.474 0.895 20 0 FCADRP CCC[NH+]1CCN(c2nc(OC)nc(N3CC[NH+](CCC)CC3)n2)CC1 ZINC000509654186 490448542 /nfs/dbraw/zinc/44/85/42/490448542.db2.gz QAGIMFCFBRBLHM-UHFFFAOYSA-N 2 0 363.510 0.944 20 0 FCADRP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000535097784 490456194 /nfs/dbraw/zinc/45/61/94/490456194.db2.gz YFNBQJMJSNAZIP-JKSUJKDBSA-N 2 0 359.536 0.827 20 0 FCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714585 490463987 /nfs/dbraw/zinc/46/39/87/490463987.db2.gz LDHSXUOMQFSXBH-MSOLQXFVSA-N 2 0 362.522 0.735 20 0 FCADRP O=C(CSCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000535262621 490470921 /nfs/dbraw/zinc/47/09/21/490470921.db2.gz OEWISZZRRIVVKO-KBPBESRZSA-N 2 0 366.531 0.425 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C23CCC[NH+]2CCC3)c1 ZINC000422752378 490470919 /nfs/dbraw/zinc/47/09/19/490470919.db2.gz CTBKZUBEHBRXQQ-UHFFFAOYSA-N 2 0 352.460 0.491 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422771858 490475247 /nfs/dbraw/zinc/47/52/47/490475247.db2.gz RRTBPLGSLBXFCC-RTBURBONSA-N 2 0 360.502 0.687 20 0 FCADRP NC(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500034394 490480086 /nfs/dbraw/zinc/48/00/86/490480086.db2.gz XOYPUMFBCTXCFM-INIZCTEOSA-N 2 0 374.489 0.501 20 0 FCADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422910356 490495195 /nfs/dbraw/zinc/49/51/95/490495195.db2.gz HUXGQIMHHGPMFD-KURKYZTESA-N 2 0 352.523 0.820 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000510381840 490512901 /nfs/dbraw/zinc/51/29/01/490512901.db2.gz ZQAXUCWOMLTWPU-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000500436605 490516815 /nfs/dbraw/zinc/51/68/15/490516815.db2.gz AYVUWYPRICFVRO-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423019611 490521044 /nfs/dbraw/zinc/52/10/44/490521044.db2.gz WMMXMVPKKJHLSS-AWEZNQCLSA-N 2 0 352.504 0.978 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000485392929 490527914 /nfs/dbraw/zinc/52/79/14/490527914.db2.gz XMUPJERVBPVXDM-MRXNPFEDSA-N 2 0 367.538 0.912 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396514 490527948 /nfs/dbraw/zinc/52/79/48/490527948.db2.gz LYCRWIWBRLHUNO-SJORKVTESA-N 2 0 367.538 0.912 20 0 FCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391188 490528059 /nfs/dbraw/zinc/52/80/59/490528059.db2.gz PSUCPKJRTFSKRT-HZPDHXFCSA-N 2 0 353.511 0.557 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396511 490528566 /nfs/dbraw/zinc/52/85/66/490528566.db2.gz LYCRWIWBRLHUNO-IRXDYDNUSA-N 2 0 367.538 0.912 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423061117 490533980 /nfs/dbraw/zinc/53/39/80/490533980.db2.gz QDUCKXCBGJCWEW-SOLBZPMBSA-N 2 0 358.486 0.928 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423074531 490536631 /nfs/dbraw/zinc/53/66/31/490536631.db2.gz UXWSMTYKZSGLME-OTWHNJEPSA-N 2 0 370.497 0.787 20 0 FCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000571877727 491334504 /nfs/dbraw/zinc/33/45/04/491334504.db2.gz GYCFHZUIZRVMEM-CVEARBPZSA-N 2 0 374.489 0.540 20 0 FCADRP C[C@H](CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nccs1 ZINC000571884990 491335354 /nfs/dbraw/zinc/33/53/54/491335354.db2.gz PBNHSVSYSBLHPH-CQSZACIVSA-N 2 0 369.535 0.657 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485798183 490558936 /nfs/dbraw/zinc/55/89/36/490558936.db2.gz ZGAXMTONSGEUOW-QGZVFWFLSA-N 2 0 369.473 0.992 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000485808670 490560460 /nfs/dbraw/zinc/56/04/60/490560460.db2.gz CIFPJDZLQXQFGQ-LBPRGKRZSA-N 2 0 356.430 0.899 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485818996 490561600 /nfs/dbraw/zinc/56/16/00/490561600.db2.gz RFRXMSIQNVFCDQ-AWEZNQCLSA-N 2 0 364.494 0.822 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485833179 490562431 /nfs/dbraw/zinc/56/24/31/490562431.db2.gz SOUNAJDCZAKRNZ-CQSZACIVSA-N 2 0 369.473 0.563 20 0 FCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000564913667 491336116 /nfs/dbraw/zinc/33/61/16/491336116.db2.gz RFCZCMHOWFMBDS-ZBFHGGJFSA-N 2 0 364.515 0.945 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000524925491 490570845 /nfs/dbraw/zinc/57/08/45/490570845.db2.gz YGLQKMVUBVHIPI-INIZCTEOSA-N 2 0 355.527 0.111 20 0 FCADRP Cn1ccnc1CN1CCC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1=O ZINC000549255820 490571734 /nfs/dbraw/zinc/57/17/34/490571734.db2.gz CYEAOCFOZVQQRE-MRXNPFEDSA-N 2 0 359.474 0.902 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000556796037 491337548 /nfs/dbraw/zinc/33/75/48/491337548.db2.gz VCVOWGRNVZHWRW-GOSISDBHSA-N 2 0 360.502 0.954 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000556797131 491337690 /nfs/dbraw/zinc/33/76/90/491337690.db2.gz YMBWFHATZBKGBN-ROUUACIJSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000556797129 491337807 /nfs/dbraw/zinc/33/78/07/491337807.db2.gz YMBWFHATZBKGBN-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000549699498 490594552 /nfs/dbraw/zinc/59/45/52/490594552.db2.gz QSEHPICZRZZIEO-UHFFFAOYSA-N 2 0 373.404 0.573 20 0 FCADRP O=C(COC1CC[NH2+]CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000564955519 491340387 /nfs/dbraw/zinc/34/03/87/491340387.db2.gz UAJQCJBSZWJQJA-UHFFFAOYSA-N 2 0 362.474 0.678 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564949763 491339727 /nfs/dbraw/zinc/33/97/27/491339727.db2.gz IICUNAPKBXMSIS-KGLIPLIRSA-N 2 0 374.411 0.374 20 0 FCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000525684489 490618842 /nfs/dbraw/zinc/61/88/42/490618842.db2.gz SNCDIAXDGXDMSW-CEXWTWQISA-N 2 0 355.523 0.643 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000550129542 490629964 /nfs/dbraw/zinc/62/99/64/490629964.db2.gz ITCOBWLHXSYAFR-RDJZCZTQSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000501651821 490630929 /nfs/dbraw/zinc/63/09/29/490630929.db2.gz YMISONWMPPRCFC-HLLBOEOZSA-N 2 0 366.506 0.202 20 0 FCADRP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000571994783 491341509 /nfs/dbraw/zinc/34/15/09/491341509.db2.gz YIUHMWLBAIGLHS-MRXNPFEDSA-N 2 0 350.463 0.627 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(F)c1 ZINC000550182091 490636466 /nfs/dbraw/zinc/63/64/66/490636466.db2.gz GPOXNDWQGVMJBH-UHFFFAOYSA-N 2 0 352.454 0.436 20 0 FCADRP Cc1cc2c(cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)OCO2 ZINC000526132226 490678025 /nfs/dbraw/zinc/67/80/25/490678025.db2.gz QGXCRFVOHRNQCE-UHFFFAOYSA-N 2 0 364.446 0.614 20 0 FCADRP C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000526131904 490678094 /nfs/dbraw/zinc/67/80/94/490678094.db2.gz AIKWGRKODYYYQX-AWEZNQCLSA-N 2 0 364.494 0.744 20 0 FCADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550605891 490680342 /nfs/dbraw/zinc/68/03/42/490680342.db2.gz HVMOIHGSALGWET-GOSISDBHSA-N 2 0 366.531 0.939 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943024 490680888 /nfs/dbraw/zinc/68/08/88/490680888.db2.gz WVPMMRBHSREMSY-NXHRZFHOSA-N 2 0 360.502 0.589 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000486992133 490685268 /nfs/dbraw/zinc/68/52/68/490685268.db2.gz YRMMGGIEERDYOK-OBRKIGFESA-N 2 0 364.534 0.830 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000512530022 490687195 /nfs/dbraw/zinc/68/71/95/490687195.db2.gz XTSHLLHBOODRKW-QGZVFWFLSA-N 2 0 364.490 0.845 20 0 FCADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@H]2C1 ZINC000502721891 490717748 /nfs/dbraw/zinc/71/77/48/490717748.db2.gz OOIJODBWXOHMPI-OKZBNKHCSA-N 2 0 351.491 0.951 20 0 FCADRP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000487553960 490718158 /nfs/dbraw/zinc/71/81/58/490718158.db2.gz QLSZNTGPTJKRMR-YQFWSFKMSA-N 2 0 350.507 0.441 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513463274 490731052 /nfs/dbraw/zinc/73/10/52/490731052.db2.gz KTZKBKIOUZDAHM-OAHLLOKOSA-N 2 0 370.538 0.648 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)(C)C[NH+](C)C ZINC000513502122 490735486 /nfs/dbraw/zinc/73/54/86/490735486.db2.gz YYVMPRNBKILFPF-OAHLLOKOSA-N 2 0 370.538 0.384 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000572152546 491352478 /nfs/dbraw/zinc/35/24/78/491352478.db2.gz WHXJLSJSCOVPLH-UHFFFAOYSA-N 2 0 371.489 0.175 20 0 FCADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000488579133 490765304 /nfs/dbraw/zinc/76/53/04/490765304.db2.gz PPJCSHYINAZFNN-DYWWHBPLSA-N 2 0 364.534 0.737 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000514598976 490773545 /nfs/dbraw/zinc/77/35/45/490773545.db2.gz AMOLZQQNWNUXKR-INIZCTEOSA-N 2 0 372.473 0.901 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122225 491354673 /nfs/dbraw/zinc/35/46/73/491354673.db2.gz QHTCZRRSNWNZEH-OAGGEKHMSA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000514663561 490779232 /nfs/dbraw/zinc/77/92/32/490779232.db2.gz FXAYESWHLKMNOZ-CABCVRRESA-N 2 0 368.547 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000514663563 490779489 /nfs/dbraw/zinc/77/94/89/490779489.db2.gz FXAYESWHLKMNOZ-HUUCEWRRSA-N 2 0 368.547 0.660 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000488885077 490780253 /nfs/dbraw/zinc/78/02/53/490780253.db2.gz LCYLAYSVTINGIE-LJQANCHMSA-N 2 0 360.502 0.676 20 0 FCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514737539 490785894 /nfs/dbraw/zinc/78/58/94/490785894.db2.gz XMTOXVMIHLYSOR-GVDBMIGSSA-N 2 0 359.474 0.113 20 0 FCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000514847079 490792181 /nfs/dbraw/zinc/79/21/81/490792181.db2.gz CUMBWKIQHGWESV-QGZVFWFLSA-N 2 0 360.506 0.772 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000515310051 490817230 /nfs/dbraw/zinc/81/72/30/490817230.db2.gz LPLHDTWLAVJEOW-ROUUACIJSA-N 2 0 363.506 0.942 20 0 FCADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000557168705 491357971 /nfs/dbraw/zinc/35/79/71/491357971.db2.gz HPRZGUGPYDPBGI-LJQANCHMSA-N 2 0 370.497 0.659 20 0 FCADRP Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000557183071 491358295 /nfs/dbraw/zinc/35/82/95/491358295.db2.gz FFKYFHCKSVTWDS-SJORKVTESA-N 2 0 362.474 0.947 20 0 FCADRP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000515516882 490830347 /nfs/dbraw/zinc/83/03/47/490830347.db2.gz IEGGKKMROMPFIG-WMLDXEAASA-N 2 0 360.433 0.706 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000515528195 490831033 /nfs/dbraw/zinc/83/10/33/490831033.db2.gz PLAUSKYJPUKKOL-IRXDYDNUSA-N 2 0 366.506 0.300 20 0 FCADRP CC(C)(CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000515819344 490839202 /nfs/dbraw/zinc/83/92/02/490839202.db2.gz OKRAMZNIKZJALR-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872190 490842192 /nfs/dbraw/zinc/84/21/92/490842192.db2.gz VCJUAXOPWCUSIX-BZZMCLGOSA-N 2 0 371.485 0.603 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224460 491361487 /nfs/dbraw/zinc/36/14/87/491361487.db2.gz JENATBPKJNDRCU-QFBILLFUSA-N 2 0 360.458 0.496 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000516470373 490864569 /nfs/dbraw/zinc/86/45/69/490864569.db2.gz QBKOSMKGKNRLNP-HOTGVXAUSA-N 2 0 361.490 0.752 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000516976742 490888929 /nfs/dbraw/zinc/88/89/29/490888929.db2.gz QBBCZGAVBQSRBH-UHFFFAOYSA-N 2 0 366.506 0.145 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000517019720 490891173 /nfs/dbraw/zinc/89/11/73/490891173.db2.gz IXURWRVJXDZYEG-SJLPKXTDSA-N 2 0 356.470 0.544 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000517157822 490896756 /nfs/dbraw/zinc/89/67/56/490896756.db2.gz VZSCRVRSUSIBMC-OAHLLOKOSA-N 2 0 356.511 0.308 20 0 FCADRP C[C@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000542823843 490910766 /nfs/dbraw/zinc/91/07/66/490910766.db2.gz JIDOMENAEYUYNP-AWEZNQCLSA-N 2 0 351.495 0.489 20 0 FCADRP C[C@@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000542823846 490910802 /nfs/dbraw/zinc/91/08/02/490910802.db2.gz JIDOMENAEYUYNP-CQSZACIVSA-N 2 0 351.495 0.489 20 0 FCADRP [NH3+][C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000517931074 490924831 /nfs/dbraw/zinc/92/48/31/490924831.db2.gz WAZBSBFDBWJSST-GOSISDBHSA-N 2 0 358.486 0.713 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000530880616 490929595 /nfs/dbraw/zinc/92/95/95/490929595.db2.gz DAOQAZRAHRRMCZ-UHFFFAOYSA-N 2 0 360.458 0.625 20 0 FCADRP CN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000530881197 490929839 /nfs/dbraw/zinc/92/98/39/490929839.db2.gz AINMYMCDMPRYPX-UHFFFAOYSA-N 2 0 360.480 0.095 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000518290102 490936232 /nfs/dbraw/zinc/93/62/32/490936232.db2.gz AELBEOFBPNZADV-KRWDZBQOSA-N 2 0 365.522 0.809 20 0 FCADRP CC(C)CN1C[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374181 491365627 /nfs/dbraw/zinc/36/56/27/491365627.db2.gz IJUYXVXMWVMMJZ-HOTGVXAUSA-N 2 0 351.495 0.262 20 0 FCADRP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000543751227 490944582 /nfs/dbraw/zinc/94/45/82/490944582.db2.gz GYSQILCLFLWYKY-INIZCTEOSA-N 2 0 363.506 0.586 20 0 FCADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1 ZINC000518726777 490949247 /nfs/dbraw/zinc/94/92/47/490949247.db2.gz ZJKUDVWUDXAZJH-UHFFFAOYSA-N 2 0 366.531 0.643 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000518934798 490955380 /nfs/dbraw/zinc/95/53/80/490955380.db2.gz OKNLKLOLHADYJD-CZUORRHYSA-N 2 0 358.442 0.660 20 0 FCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1=O ZINC000544055508 490956153 /nfs/dbraw/zinc/95/61/53/490956153.db2.gz UEBAKPCKHBLAIV-NVXWUHKLSA-N 2 0 367.490 0.583 20 0 FCADRP C[C@H]1COCCN1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000519007609 490958949 /nfs/dbraw/zinc/95/89/49/490958949.db2.gz ZITDXTLCYVSLMP-IRXDYDNUSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H]1COCCN1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000519007608 490958956 /nfs/dbraw/zinc/95/89/56/490958956.db2.gz ZITDXTLCYVSLMP-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP COCCN1CC[C@H]([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000544372269 490966746 /nfs/dbraw/zinc/96/67/46/490966746.db2.gz XTDPYJJXDHOWAF-AWEZNQCLSA-N 2 0 357.476 0.195 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000519558202 490976805 /nfs/dbraw/zinc/97/68/05/490976805.db2.gz PZJYRRKEQFGPFG-HUUCEWRRSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000519646919 490981577 /nfs/dbraw/zinc/98/15/77/490981577.db2.gz BMIRCRPZEOMFPT-NWDGAFQWSA-N 2 0 355.451 0.326 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000519679424 490983851 /nfs/dbraw/zinc/98/38/51/490983851.db2.gz BSQYXTVSYNNLIE-OAHLLOKOSA-N 2 0 363.510 0.907 20 0 FCADRP [NH3+][C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000519690582 490984355 /nfs/dbraw/zinc/98/43/55/490984355.db2.gz GHBVPZDNZPMNEY-LSDHHAIUSA-N 2 0 358.408 0.899 20 0 FCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000553904473 491163217 /nfs/dbraw/zinc/16/32/17/491163217.db2.gz ZHRMWPZXRIAWLE-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000569482022 491163395 /nfs/dbraw/zinc/16/33/95/491163395.db2.gz ZXTKJDUKEUWNNP-AWEZNQCLSA-N 2 0 363.462 0.492 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000553996421 491168566 /nfs/dbraw/zinc/16/85/66/491168566.db2.gz IBIBXCRUTBQQHG-OZSLIKBDSA-N 2 0 365.522 0.852 20 0 FCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000562743307 491185985 /nfs/dbraw/zinc/18/59/85/491185985.db2.gz DUMLXUUZSPWQHZ-GJZGRUSLSA-N 2 0 374.485 0.886 20 0 FCADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000557338914 491368698 /nfs/dbraw/zinc/36/86/98/491368698.db2.gz IBOCJAVYXJTNCV-DOTOQJQBSA-N 2 0 352.479 0.973 20 0 FCADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000557339100 491368824 /nfs/dbraw/zinc/36/88/24/491368824.db2.gz IBOCJAVYXJTNCV-RDJZCZTQSA-N 2 0 352.479 0.973 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422464 491374146 /nfs/dbraw/zinc/37/41/46/491374146.db2.gz XFMXKHWSDIOTLU-IXDOHACOSA-N 2 0 368.522 0.593 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@H]2[NH3+])cn1 ZINC000572521768 491376432 /nfs/dbraw/zinc/37/64/32/491376432.db2.gz SHEJDBJTTZOJRA-NZSAHSFTSA-N 2 0 368.485 0.980 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565201 491383558 /nfs/dbraw/zinc/38/35/58/491383558.db2.gz XEOQMTIENWIZDC-HOCLYGCPSA-N 2 0 350.507 0.776 20 0 FCADRP COc1cnc(NC[C@H]2CCC[N@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573479 491384479 /nfs/dbraw/zinc/38/44/79/491384479.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 2 0 362.522 0.836 20 0 FCADRP Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cnn1C ZINC000572700472 491387570 /nfs/dbraw/zinc/38/75/70/491387570.db2.gz DKRRKRQXPHGTGA-PKOBYXMFSA-N 2 0 361.490 0.891 20 0 FCADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000565655679 491391422 /nfs/dbraw/zinc/39/14/22/491391422.db2.gz VYGORHQPBQUWTK-JKSUJKDBSA-N 2 0 363.506 0.710 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000565764051 491398209 /nfs/dbraw/zinc/39/82/09/491398209.db2.gz IDMITPIYHDDURA-UHFFFAOYSA-N 2 0 364.465 0.832 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000565827895 491401740 /nfs/dbraw/zinc/40/17/40/491401740.db2.gz ODYWVBPZXMYJHD-HOTGVXAUSA-N 2 0 354.495 0.143 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000565827890 491401780 /nfs/dbraw/zinc/40/17/80/491401780.db2.gz ODYWVBPZXMYJHD-CVEARBPZSA-N 2 0 354.495 0.143 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000557902530 491403947 /nfs/dbraw/zinc/40/39/47/491403947.db2.gz XLMQECFRFBGAOB-UHFFFAOYSA-N 2 0 361.490 0.824 20 0 FCADRP CN1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C[NH3+])C1 ZINC000572975356 491404996 /nfs/dbraw/zinc/40/49/96/491404996.db2.gz FUGFLDINNLMGCT-KRWDZBQOSA-N 2 0 363.506 0.801 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000558134535 491415917 /nfs/dbraw/zinc/41/59/17/491415917.db2.gz DSMUKWTWJXIZJE-KRWDZBQOSA-N 2 0 368.522 0.593 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000558210476 491420109 /nfs/dbraw/zinc/42/01/09/491420109.db2.gz TUTVDLWOYNRMAL-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000566171387 491422640 /nfs/dbraw/zinc/42/26/40/491422640.db2.gz DEZYDEJIZSEQRC-QGZVFWFLSA-N 2 0 362.449 0.728 20 0 FCADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000566180282 491423415 /nfs/dbraw/zinc/42/34/15/491423415.db2.gz APNZADNHBNSLIO-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000558359727 491427007 /nfs/dbraw/zinc/42/70/07/491427007.db2.gz ITEPIPMGFLXVPD-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000573441287 491433250 /nfs/dbraw/zinc/43/32/50/491433250.db2.gz BQLWQVINKLZMAP-SFHVURJKSA-N 2 0 374.485 0.598 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000573547200 491439889 /nfs/dbraw/zinc/43/98/89/491439889.db2.gz XQPIDOOFYBBIFC-AYOQOUSVSA-N 2 0 372.513 0.874 20 0 FCADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000566618210 491456251 /nfs/dbraw/zinc/45/62/51/491456251.db2.gz YJPRHIDAXOHOEC-JVSBHGNQSA-N 2 0 370.582 0.540 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566728279 491462795 /nfs/dbraw/zinc/46/27/95/491462795.db2.gz VHPIWHHZRUBSCW-IRXDYDNUSA-N 2 0 359.474 0.634 20 0 FCADRP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566732751 491463325 /nfs/dbraw/zinc/46/33/25/491463325.db2.gz DLNNGGLFASJOFL-CLCXKQKWSA-N 2 0 372.473 0.150 20 0 FCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573942106 491464453 /nfs/dbraw/zinc/46/44/53/491464453.db2.gz BNAVAEMJUYWPHO-KGLIPLIRSA-N 2 0 365.444 0.804 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000559375809 491468575 /nfs/dbraw/zinc/46/85/75/491468575.db2.gz CWVKNTXWPXJUDG-UHFFFAOYSA-N 2 0 356.511 0.448 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000559442289 491473222 /nfs/dbraw/zinc/47/32/22/491473222.db2.gz SBPGIWCGVRFZLC-CVEARBPZSA-N 2 0 356.511 0.306 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559464001 491475433 /nfs/dbraw/zinc/47/54/33/491475433.db2.gz WIYSQDVOAXPWOQ-QGZVFWFLSA-N 2 0 368.522 0.548 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000574167810 491478579 /nfs/dbraw/zinc/47/85/79/491478579.db2.gz UWMNPFUAAKREGN-BRSBDYLESA-N 2 0 351.539 0.947 20 0 FCADRP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)N1CC(C)C1 ZINC000567122640 491487197 /nfs/dbraw/zinc/48/71/97/491487197.db2.gz NCVXVNUEHDZVON-AWEZNQCLSA-N 2 0 368.503 0.805 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000559681863 491491808 /nfs/dbraw/zinc/49/18/08/491491808.db2.gz IZXLFVPOQHMMSN-UHFFFAOYSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CC[NH+](C)CC1 ZINC000559751835 491495897 /nfs/dbraw/zinc/49/58/97/491495897.db2.gz CJHUVUWMBIYXAZ-RDTXWAMCSA-N 2 0 366.531 0.937 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000559775343 491499012 /nfs/dbraw/zinc/49/90/12/491499012.db2.gz FYXYRUCSZKBTRI-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466448 491499256 /nfs/dbraw/zinc/49/92/56/491499256.db2.gz GRUQHKHRPXWEDX-MSOLQXFVSA-N 2 0 371.485 0.736 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484687 491500334 /nfs/dbraw/zinc/50/03/34/491500334.db2.gz REQABNWJYZULTO-PNBKFKSVSA-N 2 0 366.506 0.201 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)[C@H]2C1 ZINC000574505649 491501137 /nfs/dbraw/zinc/50/11/37/491501137.db2.gz PMFKYBDVAYIJDR-HOCLYGCPSA-N 2 0 359.474 0.431 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000567362042 491502062 /nfs/dbraw/zinc/50/20/62/491502062.db2.gz JTHBPYPEPOCTPR-YESZJQIVSA-N 2 0 365.522 0.713 20 0 FCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CCN1C ZINC000574598889 491507652 /nfs/dbraw/zinc/50/76/52/491507652.db2.gz DLVLVEXMFXRNGH-IRXDYDNUSA-N 2 0 368.522 0.402 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000567498386 491510089 /nfs/dbraw/zinc/51/00/89/491510089.db2.gz UGHRHJARISUXJQ-SFHVURJKSA-N 2 0 373.501 0.944 20 0 FCADRP CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)COC1C[NH2+]C1)CC2 ZINC000574689781 491513618 /nfs/dbraw/zinc/51/36/18/491513618.db2.gz UNXWBOMLRXOERL-AWEZNQCLSA-N 2 0 350.488 0.944 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000560016988 491515444 /nfs/dbraw/zinc/51/54/44/491515444.db2.gz UEJKTOIYZAHOHB-INIZCTEOSA-N 2 0 368.522 0.452 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000560026992 491516462 /nfs/dbraw/zinc/51/64/62/491516462.db2.gz YTGXVIXHGCXICH-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000567605716 491517271 /nfs/dbraw/zinc/51/72/71/491517271.db2.gz BKWNQZIUPLEUNR-AEFFLSMTSA-N 2 0 351.491 0.798 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000567675231 491522134 /nfs/dbraw/zinc/52/21/34/491522134.db2.gz HBZYDMAKIYDILO-RBUKOAKNSA-N 2 0 357.502 0.808 20 0 FCADRP O[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)Cn1cccn1 ZINC000567679702 491522734 /nfs/dbraw/zinc/52/27/34/491522734.db2.gz CRVOOMDMEHZXFU-KRWDZBQOSA-N 2 0 359.478 0.226 20 0 FCADRP CCn1ccnc1CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567736042 491525917 /nfs/dbraw/zinc/52/59/17/491525917.db2.gz CCTQIIYIWIBMNF-HZPDHXFCSA-N 2 0 361.490 0.752 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000567763492 491527781 /nfs/dbraw/zinc/52/77/81/491527781.db2.gz BOXAXRXIXULQFT-FUHWJXTLSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000567780529 491529641 /nfs/dbraw/zinc/52/96/41/491529641.db2.gz WTKCKIRENVLWDK-QGZVFWFLSA-N 2 0 362.474 0.502 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000567841572 491534199 /nfs/dbraw/zinc/53/41/99/491534199.db2.gz IJSZTSWTFIAVRI-OAGGEKHMSA-N 2 0 351.495 0.319 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000567889302 491538557 /nfs/dbraw/zinc/53/85/57/491538557.db2.gz JRLLROVKWIVXAV-KRWDZBQOSA-N 2 0 374.485 0.488 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000568017455 491547558 /nfs/dbraw/zinc/54/75/58/491547558.db2.gz PDBDTVCYQOVALY-QGZVFWFLSA-N 2 0 368.522 0.594 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000560669413 491551461 /nfs/dbraw/zinc/55/14/61/491551461.db2.gz WDKOIHJGTQVQQK-OAHLLOKOSA-N 2 0 367.538 0.118 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400010 491551802 /nfs/dbraw/zinc/55/18/02/491551802.db2.gz HKOIBAAYYZEUQQ-KURKYZTESA-N 2 0 371.485 0.303 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CCCO1 ZINC000575476918 491555250 /nfs/dbraw/zinc/55/52/50/491555250.db2.gz MJLUMXHSYBDLLK-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+](C)C1 ZINC000568225462 491561199 /nfs/dbraw/zinc/56/11/99/491561199.db2.gz IBNJYCBSYKLQRO-CVEARBPZSA-N 2 0 369.531 0.767 20 0 FCADRP CC[C@@H]1CN(CCNC(=O)c2cc3c(ncnc3N(C)C)n2C)CCO1 ZINC000575813632 491562671 /nfs/dbraw/zinc/56/26/71/491562671.db2.gz AATWJDQNZWPZGC-CYBMUJFWSA-N 2 0 360.462 0.875 20 0 FCADRP CC[C@H]1CN(CCNC(=O)c2cc3c(ncnc3N(C)C)n2C)CCO1 ZINC000575813633 491562837 /nfs/dbraw/zinc/56/28/37/491562837.db2.gz AATWJDQNZWPZGC-ZDUSSCGKSA-N 2 0 360.462 0.875 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000575851361 491564814 /nfs/dbraw/zinc/56/48/14/491564814.db2.gz MWEATGLERXBUHR-UHFFFAOYSA-N 2 0 373.501 0.964 20 0 FCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000575916462 491569957 /nfs/dbraw/zinc/56/99/57/491569957.db2.gz IXWSNIYWECGHMI-IJEWVQPXSA-N 2 0 356.488 0.650 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000568374929 491572551 /nfs/dbraw/zinc/57/25/51/491572551.db2.gz KPVHLIUVPIOZBT-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000568491278 491580292 /nfs/dbraw/zinc/58/02/92/491580292.db2.gz DSHIVUJITNJNQH-UHFFFAOYSA-N 2 0 352.523 0.977 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000576123236 491583155 /nfs/dbraw/zinc/58/31/55/491583155.db2.gz AHVSVNNDHKTNKI-UHFFFAOYSA-N 2 0 364.490 0.831 20 0 FCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000568542181 491585449 /nfs/dbraw/zinc/58/54/49/491585449.db2.gz MFUACUHGDIFULM-IRXDYDNUSA-N 2 0 368.522 0.992 20 0 FCADRP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568565947 491586965 /nfs/dbraw/zinc/58/69/65/491586965.db2.gz ZQJHLPKGMIYYME-WBVHZDCISA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000584464506 491594233 /nfs/dbraw/zinc/59/42/33/491594233.db2.gz RRYHDZDTIHKLRK-QXCFHYIPSA-N 2 0 370.497 0.915 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000584465153 491594502 /nfs/dbraw/zinc/59/45/02/491594502.db2.gz VURRWQPTQOYXCX-MRXNPFEDSA-N 2 0 351.495 0.460 20 0 FCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568737319 491604916 /nfs/dbraw/zinc/60/49/16/491604916.db2.gz JVXPWISBGDLRRC-XHSDSOJGSA-N 2 0 350.507 0.966 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1 ZINC000568841791 491612987 /nfs/dbraw/zinc/61/29/87/491612987.db2.gz SGDRWUZIDRMAQD-BSDSXHPESA-N 2 0 353.507 0.552 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000568858617 491614260 /nfs/dbraw/zinc/61/42/60/491614260.db2.gz ISQZEIJMYZOOGL-UHFFFAOYSA-N 2 0 356.536 0.484 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000568863411 491615157 /nfs/dbraw/zinc/61/51/57/491615157.db2.gz MKMVKXYKHXAUKK-WOCWXWTJSA-N 2 0 364.534 0.757 20 0 FCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568869594 491615652 /nfs/dbraw/zinc/61/56/52/491615652.db2.gz XEQIEHSHUXNGDU-OAQYLSRUSA-N 2 0 370.497 0.933 20 0 FCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576468438 491617250 /nfs/dbraw/zinc/61/72/50/491617250.db2.gz DZPHUFJOADXPJA-IAGOWNOFSA-N 2 0 360.506 0.883 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569120058 491635623 /nfs/dbraw/zinc/63/56/23/491635623.db2.gz YCACFNUKOPYANU-RDJZCZTQSA-N 2 0 353.507 0.994 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1=CC[NH+](C)CC1 ZINC000569172012 491639868 /nfs/dbraw/zinc/63/98/68/491639868.db2.gz NVEMWTAYGBOYNV-OAHLLOKOSA-N 2 0 366.506 0.058 20 0 FCADRP CC(CC[NH+]1CCC[C@H]2C(=O)NC[C@H]21)CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000569197847 491641252 /nfs/dbraw/zinc/64/12/52/491641252.db2.gz XTWRILRBADUHIK-BRSBDYLESA-N 2 0 362.518 0.824 20 0 FCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766880 491643422 /nfs/dbraw/zinc/64/34/22/491643422.db2.gz ZOGUTGWLXZQYMQ-MOPGFXCFSA-N 2 0 354.539 0.565 20 0 FCADRP C[C@@H](NC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000576790058 491644837 /nfs/dbraw/zinc/64/48/37/491644837.db2.gz RRLFXWQTCNYXLT-OAHLLOKOSA-N 2 0 366.506 0.322 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000577726820 491646278 /nfs/dbraw/zinc/64/62/78/491646278.db2.gz IVIPKAQRTVCOJL-SFHVURJKSA-N 2 0 356.470 0.640 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1[NH+](C)C ZINC000577795960 491653014 /nfs/dbraw/zinc/65/30/14/491653014.db2.gz BESWGJNKDZNLAS-CXAGYDPISA-N 2 0 364.465 0.912 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)cc1 ZINC000569336294 491653395 /nfs/dbraw/zinc/65/33/95/491653395.db2.gz OOIKVZMOLBTFOC-KBMXLJTQSA-N 2 0 364.877 0.879 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000569349928 491654744 /nfs/dbraw/zinc/65/47/44/491654744.db2.gz ATESHRYJIKZXED-BQFCYCMXSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000569349929 491654838 /nfs/dbraw/zinc/65/48/38/491654838.db2.gz ATESHRYJIKZXED-JZXOWHBKSA-N 2 0 362.518 0.920 20 0 FCADRP CCNc1nc(NCCN2CCC([NH+](C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000569349671 491655123 /nfs/dbraw/zinc/65/51/23/491655123.db2.gz DNYSKESUNRCGRL-UHFFFAOYSA-N 2 0 364.542 0.796 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000576901635 491655363 /nfs/dbraw/zinc/65/53/63/491655363.db2.gz ZUMMMIPVPIAUBG-MRXNPFEDSA-N 2 0 356.511 0.404 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000576934964 491658020 /nfs/dbraw/zinc/65/80/20/491658020.db2.gz XJMRVTZQUFSYRL-HRCADAONSA-N 2 0 350.507 0.763 20 0 FCADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569456231 491662894 /nfs/dbraw/zinc/66/28/94/491662894.db2.gz WPJBPJFPGYFDDX-HRCADAONSA-N 2 0 353.442 0.169 20 0 FCADRP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCOCC1 ZINC000578122384 491670399 /nfs/dbraw/zinc/67/03/99/491670399.db2.gz AMCXJUKGGGUWBA-HOTGVXAUSA-N 2 0 354.495 0.047 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313962 491674388 /nfs/dbraw/zinc/67/43/88/491674388.db2.gz GXTHYDAFZRFJAI-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000683501060 493356523 /nfs/dbraw/zinc/35/65/23/493356523.db2.gz KJUUFFJRVDMSID-BRWVUGGUSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000578441899 491677226 /nfs/dbraw/zinc/67/72/26/491677226.db2.gz HNFBUYHIARXORS-JEWRLFTDSA-N 2 0 363.506 0.641 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542945 491679571 /nfs/dbraw/zinc/67/95/71/491679571.db2.gz IQYZHOZVKRYLDK-DLBZAZTESA-N 2 0 350.507 0.907 20 0 FCADRP C[C@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763313 491683807 /nfs/dbraw/zinc/68/38/07/491683807.db2.gz TWZGQTXFVIAVRS-MSOLQXFVSA-N 2 0 361.486 0.911 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000578776286 491684179 /nfs/dbraw/zinc/68/41/79/491684179.db2.gz GNBLKGLVJIIZJI-UHFFFAOYSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579124382 491691596 /nfs/dbraw/zinc/69/15/96/491691596.db2.gz JOIUTGDDLULXSI-GOSISDBHSA-N 2 0 358.486 0.741 20 0 FCADRP CN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000579227881 491693389 /nfs/dbraw/zinc/69/33/89/491693389.db2.gz LJTWBAZBDMWLEY-IBGZPJMESA-N 2 0 359.518 0.690 20 0 FCADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000579229074 491693618 /nfs/dbraw/zinc/69/36/18/491693618.db2.gz ZTQWMPKJDNOCCO-UHFFFAOYSA-N 2 0 373.501 0.137 20 0 FCADRP O=C(NCC1(N2CCOCC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579429361 491697748 /nfs/dbraw/zinc/69/77/48/491697748.db2.gz PTCFOQXUIDGFHC-FQEVSTJZSA-N 2 0 359.470 0.604 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000579469195 491698431 /nfs/dbraw/zinc/69/84/31/491698431.db2.gz STSSLWFKGVGNHS-CQSZACIVSA-N 2 0 364.494 0.649 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000579572920 491700682 /nfs/dbraw/zinc/70/06/82/491700682.db2.gz HGMDXVHIDBJBPR-IRXDYDNUSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000579809283 491705615 /nfs/dbraw/zinc/70/56/15/491705615.db2.gz RPZKZGCDSRCGAX-QBPKDAKJSA-N 2 0 374.551 0.346 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855913 491706985 /nfs/dbraw/zinc/70/69/85/491706985.db2.gz HEYNJGDMMLGCCQ-QZTJIDSGSA-N 2 0 352.523 0.580 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000584580818 491708336 /nfs/dbraw/zinc/70/83/36/491708336.db2.gz OHSZONRKTLIYCG-YYIAUSFCSA-N 2 0 363.506 0.228 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000584663027 491709575 /nfs/dbraw/zinc/70/95/75/491709575.db2.gz RIEORMIDRJWXRH-MRXNPFEDSA-N 2 0 355.504 0.881 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000584778667 491713844 /nfs/dbraw/zinc/71/38/44/491713844.db2.gz TWORDEWMESUYNO-JKSUJKDBSA-N 2 0 364.494 0.603 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000580075079 491716238 /nfs/dbraw/zinc/71/62/38/491716238.db2.gz UEEYQWWQRYDRRN-ZIAGYGMSSA-N 2 0 350.463 0.485 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580073712 491716345 /nfs/dbraw/zinc/71/63/45/491716345.db2.gz PSWQPNYEYYPDKC-HUUCEWRRSA-N 2 0 355.508 0.434 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580118245 491718434 /nfs/dbraw/zinc/71/84/34/491718434.db2.gz AFTQYEBZSVPQID-DJIMGWMZSA-N 2 0 366.506 0.033 20 0 FCADRP CCOC(=O)c1ccc(N2CCCN(C[C@](C)(O)C[NH2+]C)CC2)nc1 ZINC000580200860 491721180 /nfs/dbraw/zinc/72/11/80/491721180.db2.gz NFIGFLGPGHASGT-GOSISDBHSA-N 2 0 350.463 0.741 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000580272572 491723967 /nfs/dbraw/zinc/72/39/67/491723967.db2.gz ROWUVGHWVHFPKN-UHFFFAOYSA-N 2 0 350.467 0.773 20 0 FCADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000586175041 491731010 /nfs/dbraw/zinc/73/10/10/491731010.db2.gz HZGGEHRMLKTFFX-UHFFFAOYSA-N 2 0 359.492 0.818 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000580710253 491742270 /nfs/dbraw/zinc/74/22/70/491742270.db2.gz XLHNCTOXXBKVOK-JKSUJKDBSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@H+](C[C@@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889304 491750283 /nfs/dbraw/zinc/75/02/83/491750283.db2.gz WNSSGHWRAONNKN-FQEVSTJZSA-N 3 0 374.529 0.929 20 0 FCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1)CC[NH2+]CC2 ZINC000581246235 491765632 /nfs/dbraw/zinc/76/56/32/491765632.db2.gz MUNOXXHQKWZYAL-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP O=C(CC[C@H]1CC[NH2+]C1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581308248 491768205 /nfs/dbraw/zinc/76/82/05/491768205.db2.gz DJCXJVHSCAPIRQ-KRWDZBQOSA-N 2 0 360.506 0.885 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)CCCO1 ZINC000581331424 491769117 /nfs/dbraw/zinc/76/91/17/491769117.db2.gz QYOMUJBIKIWSBN-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000581400596 491771576 /nfs/dbraw/zinc/77/15/76/491771576.db2.gz SSDBGPBFMOPPDF-CQSZACIVSA-N 2 0 364.494 0.933 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000581548343 491777269 /nfs/dbraw/zinc/77/72/69/491777269.db2.gz DNLKSHXWQBOGMF-KGLIPLIRSA-N 2 0 350.463 0.485 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581551120 491777564 /nfs/dbraw/zinc/77/75/64/491777564.db2.gz BJCFGEYZTPALMQ-QUCCMNQESA-N 2 0 371.529 0.703 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590566173 491779434 /nfs/dbraw/zinc/77/94/34/491779434.db2.gz FWDPCQINWQHXGT-QKPAOTATSA-N 2 0 370.563 0.822 20 0 FCADRP COCC[NH+](CCOC)C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000581625052 491780258 /nfs/dbraw/zinc/78/02/58/491780258.db2.gz NLNROBWXJQFFLB-UHFFFAOYSA-N 2 0 356.511 0.849 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000591085527 491795856 /nfs/dbraw/zinc/79/58/56/491795856.db2.gz FGPCWTVXLWJWMI-UHFFFAOYSA-N 2 0 370.475 0.131 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668498366 493364544 /nfs/dbraw/zinc/36/45/44/493364544.db2.gz QFBAJIHFDHSNFJ-KRWDZBQOSA-N 2 0 366.506 0.204 20 0 FCADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000591412589 491805025 /nfs/dbraw/zinc/80/50/25/491805025.db2.gz BTJGYHFUSPXZGL-HNNXBMFYSA-N 2 0 353.511 0.747 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000591568957 491808822 /nfs/dbraw/zinc/80/88/22/491808822.db2.gz ORQKGWGNLLNROH-ZDUSSCGKSA-N 2 0 363.524 0.615 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CCOC)CC[NH2+]CC3)C2)CC1 ZINC000591635064 491813806 /nfs/dbraw/zinc/81/38/06/491813806.db2.gz WQDSBEHDUJRICG-QGZVFWFLSA-N 2 0 352.523 0.631 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000582485573 491814489 /nfs/dbraw/zinc/81/44/89/491814489.db2.gz SNTPXUAYWGLLBR-IYBDPMFKSA-N 2 0 363.510 0.258 20 0 FCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000582485571 491814674 /nfs/dbraw/zinc/81/46/74/491814674.db2.gz SNTPXUAYWGLLBR-HOTGVXAUSA-N 2 0 363.510 0.258 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC000582739148 491824953 /nfs/dbraw/zinc/82/49/53/491824953.db2.gz SLMCBLPQFVTFOP-ZACQAIPSSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000582778271 491826298 /nfs/dbraw/zinc/82/62/98/491826298.db2.gz OJHSQPHXLXNZSP-DLBZAZTESA-N 2 0 368.522 0.329 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000582977327 491834989 /nfs/dbraw/zinc/83/49/89/491834989.db2.gz DWMGIXHNWSWVPG-INIZCTEOSA-N 2 0 354.495 0.156 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000583035058 491836807 /nfs/dbraw/zinc/83/68/07/491836807.db2.gz TXAVJEPHOUIJNT-GOSISDBHSA-N 2 0 371.485 0.594 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1Cn1ccnc1 ZINC000583371487 491843454 /nfs/dbraw/zinc/84/34/54/491843454.db2.gz PXHDDQLWZRGCHC-ZIAGYGMSSA-N 2 0 374.411 0.893 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+](C)C1 ZINC000583552072 491847371 /nfs/dbraw/zinc/84/73/71/491847371.db2.gz CDHBBKXEAUNQMO-ZWKOTPCHSA-N 2 0 374.485 0.857 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583742772 491850947 /nfs/dbraw/zinc/85/09/47/491850947.db2.gz CYQWQOSXVPYFFV-BZUAXINKSA-N 2 0 351.495 0.357 20 0 FCADRP CC[NH+](C)C[C@@H](O)CN1C[C@H](C)N(C[C@@H](O)C[N@@H+](C)CC)CC1(C)C ZINC000583761303 491851475 /nfs/dbraw/zinc/85/14/75/491851475.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 2 0 358.571 0.396 20 0 FCADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583823936 491852849 /nfs/dbraw/zinc/85/28/49/491852849.db2.gz NLKZCOHPTBXACK-KRWDZBQOSA-N 2 0 362.474 0.201 20 0 FCADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850461 491853322 /nfs/dbraw/zinc/85/33/22/491853322.db2.gz MWTXLVWGYVKXFR-UKRRQHHQSA-N 2 0 359.492 0.266 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000583945690 491855336 /nfs/dbraw/zinc/85/53/36/491855336.db2.gz CSFPNRUHDPZHLC-ARFHVFGLSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008465 491856497 /nfs/dbraw/zinc/85/64/97/491856497.db2.gz SRWKCQWRFQMCQY-CRAIPNDOSA-N 2 0 370.563 0.921 20 0 FCADRP COc1cc(OC)nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000584104323 491858561 /nfs/dbraw/zinc/85/85/61/491858561.db2.gz IBWAYZIOQASIJO-UHFFFAOYSA-N 2 0 358.446 1.513 20 0 FCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584147159 491859529 /nfs/dbraw/zinc/85/95/29/491859529.db2.gz PCPWIXOQTOFGRL-OXQOHEQNSA-N 2 0 371.485 0.721 20 0 FCADRP CN(C)c1ncnc2c1cc(C(=O)NC(C)(C)CN1CCOCC1)n2C ZINC000584278953 491862075 /nfs/dbraw/zinc/86/20/75/491862075.db2.gz VDSSDWSKHJQQQL-UHFFFAOYSA-N 2 0 360.462 0.875 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000611651034 491865755 /nfs/dbraw/zinc/86/57/55/491865755.db2.gz UASRGAVNSSLQAY-VYDXJSESSA-N 2 0 350.507 0.822 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594988524 491875314 /nfs/dbraw/zinc/87/53/14/491875314.db2.gz OLCTZJJBZCHXQR-IRXDYDNUSA-N 2 0 365.522 0.713 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)nn1C ZINC000601029140 491893939 /nfs/dbraw/zinc/89/39/39/491893939.db2.gz JTUKMXSOVSJUSW-CQSZACIVSA-N 2 0 365.478 0.695 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595266490 491909366 /nfs/dbraw/zinc/90/93/66/491909366.db2.gz WYSUCGSMPHZBKX-XUWVNRHRSA-N 2 0 351.495 0.308 20 0 FCADRP COC(=O)c1oc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000595315606 491917581 /nfs/dbraw/zinc/91/75/81/491917581.db2.gz ANMZSNDYVMHDFV-UHFFFAOYSA-N 2 0 361.464 0.489 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000612548709 491933244 /nfs/dbraw/zinc/93/32/44/491933244.db2.gz QIEYXWDOWRRFOT-HZPDHXFCSA-N 2 0 354.495 0.156 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000612591250 491935690 /nfs/dbraw/zinc/93/56/90/491935690.db2.gz INCMNVNNYUNNBY-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612600465 491937834 /nfs/dbraw/zinc/93/78/34/491937834.db2.gz IMBDFKBIYBYMEE-INIZCTEOSA-N 2 0 354.495 0.204 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599628 491938030 /nfs/dbraw/zinc/93/80/30/491938030.db2.gz ZQSMTANEXCCTSS-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612919896 491958637 /nfs/dbraw/zinc/95/86/37/491958637.db2.gz ZSKJROLPRSCLSV-ZBFHGGJFSA-N 2 0 361.494 0.446 20 0 FCADRP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896742 491959786 /nfs/dbraw/zinc/95/97/86/491959786.db2.gz WYCIKPJPXWRKRS-VGWMRTNUSA-N 2 0 353.463 0.369 20 0 FCADRP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595977506 491967532 /nfs/dbraw/zinc/96/75/32/491967532.db2.gz LMMCVCQHBAVWAJ-DOTOQJQBSA-N 2 0 374.533 0.960 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659970 491990190 /nfs/dbraw/zinc/99/01/90/491990190.db2.gz GHDJALSNWXFTMU-MWDXBVQZSA-N 2 0 350.507 0.918 20 0 FCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613996129 492009127 /nfs/dbraw/zinc/00/91/27/492009127.db2.gz PXHKIFDWZQQMJR-OALUTQOASA-N 2 0 372.513 0.881 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccccc1 ZINC000603177178 492017246 /nfs/dbraw/zinc/01/72/46/492017246.db2.gz NBRMBJVQRYPBMU-INIZCTEOSA-N 2 0 362.503 0.889 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000597444643 492038598 /nfs/dbraw/zinc/03/85/98/492038598.db2.gz DLFLWOQEXVFOPE-UHFFFAOYSA-N 2 0 367.538 0.912 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000605882062 492104866 /nfs/dbraw/zinc/10/48/66/492104866.db2.gz NZEVCDQTAWXMQI-INIZCTEOSA-N 2 0 354.495 0.651 20 0 FCADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665585 492126192 /nfs/dbraw/zinc/12/61/92/492126192.db2.gz HOKCZPMVXGAOSK-NVXWUHKLSA-N 2 0 367.538 0.959 20 0 FCADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691940 492126685 /nfs/dbraw/zinc/12/66/85/492126685.db2.gz DOUJGETYRIGDFE-SJLPKXTDSA-N 2 0 367.538 0.422 20 0 FCADRP COC(=O)CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000599156449 492138566 /nfs/dbraw/zinc/13/85/66/492138566.db2.gz CXMKGKUJJFEGHN-JKSUJKDBSA-N 2 0 354.495 0.997 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000607242117 492141788 /nfs/dbraw/zinc/14/17/88/492141788.db2.gz TWIPRFDPNGRZKM-UHFFFAOYSA-N 2 0 356.511 0.632 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000607245696 492142294 /nfs/dbraw/zinc/14/22/94/492142294.db2.gz YTEAFQBCGNRGBN-IAGOWNOFSA-N 2 0 370.538 0.879 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687412 492186263 /nfs/dbraw/zinc/18/62/63/492186263.db2.gz KKKPXKXKVCMDQW-GOSISDBHSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000647495032 492298120 /nfs/dbraw/zinc/29/81/20/492298120.db2.gz LECDUXMZNOGOCG-RYUDHWBXSA-N 2 0 354.426 0.947 20 0 FCADRP CC[NH+](CC)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641734707 492300670 /nfs/dbraw/zinc/30/06/70/492300670.db2.gz VQMSORBWCBIOCX-KRWDZBQOSA-N 2 0 355.527 0.424 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627469648 492309008 /nfs/dbraw/zinc/30/90/08/492309008.db2.gz ATJBDFPYDGZJOW-ROUUACIJSA-N 2 0 374.485 0.214 20 0 FCADRP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627469647 492309438 /nfs/dbraw/zinc/30/94/38/492309438.db2.gz ATJBDFPYDGZJOW-QZTJIDSGSA-N 2 0 374.485 0.214 20 0 FCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000641825685 492311186 /nfs/dbraw/zinc/31/11/86/492311186.db2.gz WARYVORCTOAQGF-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647597642 492332306 /nfs/dbraw/zinc/33/23/06/492332306.db2.gz CKBZNSCFODQQRB-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)c1 ZINC000642103301 492335019 /nfs/dbraw/zinc/33/50/19/492335019.db2.gz WXVGKXRGHBKOSV-GOSISDBHSA-N 2 0 374.485 0.817 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642101795 492335339 /nfs/dbraw/zinc/33/53/39/492335339.db2.gz OQLRKMLEWNBXAC-ZWKOTPCHSA-N 2 0 358.486 0.834 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654693601 492340961 /nfs/dbraw/zinc/34/09/61/492340961.db2.gz HTPCALTXYOHDLD-INIZCTEOSA-N 2 0 364.494 0.117 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCCCCC1 ZINC000642220466 492342640 /nfs/dbraw/zinc/34/26/40/492342640.db2.gz HGLUQALFGKSZPA-XHSDSOJGSA-N 2 0 350.507 0.953 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccco1 ZINC000642255335 492345505 /nfs/dbraw/zinc/34/55/05/492345505.db2.gz ORQHYGHTZJBMQD-OWCLPIDISA-N 2 0 362.474 0.989 20 0 FCADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254047 492345838 /nfs/dbraw/zinc/34/58/38/492345838.db2.gz ZZWGOIXOAXTKAN-WMZOPIPTSA-N 2 0 358.486 0.868 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642253635 492345972 /nfs/dbraw/zinc/34/59/72/492345972.db2.gz CHIUPFVOHPITNH-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000642313742 492349873 /nfs/dbraw/zinc/34/98/73/492349873.db2.gz IYQLECVGECKWNE-LBPRGKRZSA-N 2 0 352.866 0.884 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000642322085 492350337 /nfs/dbraw/zinc/35/03/37/492350337.db2.gz HLUIGYNJDKPIFN-WMLDXEAASA-N 2 0 362.474 0.329 20 0 FCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642330543 492352040 /nfs/dbraw/zinc/35/20/40/492352040.db2.gz TTXRDWYQEPIQLB-FPCVCCKLSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330393 492352240 /nfs/dbraw/zinc/35/22/40/492352240.db2.gz DDYPIASYIDIATP-QXSJWSMHSA-N 2 0 368.522 0.434 20 0 FCADRP CN1C(=O)N[C@@]2(CCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357694 /nfs/dbraw/zinc/35/76/94/492357694.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 0 358.442 0.250 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000621153061 492359641 /nfs/dbraw/zinc/35/96/41/492359641.db2.gz JZUCXPCROOJFLN-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703079 492360781 /nfs/dbraw/zinc/36/07/81/492360781.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 2 0 374.529 0.800 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642537970 492363127 /nfs/dbraw/zinc/36/31/27/492363127.db2.gz MDPFZEBTIZKEES-MRXNPFEDSA-N 2 0 362.474 0.502 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCS(=O)(=O)NC)CC1 ZINC000621247874 492364036 /nfs/dbraw/zinc/36/40/36/492364036.db2.gz LZLRCUNCOQDIPB-UHFFFAOYSA-N 2 0 362.540 0.096 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000642648084 492369886 /nfs/dbraw/zinc/36/98/86/492369886.db2.gz MERNRWWDLXVEAQ-XIRDDKMYSA-N 2 0 366.506 0.474 20 0 FCADRP C[N@H+](CCC[NH3+])CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000647849551 492370791 /nfs/dbraw/zinc/37/07/91/492370791.db2.gz YAOVXVCLXUVDDD-UHFFFAOYSA-N 2 0 357.476 0.367 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642680239 492371493 /nfs/dbraw/zinc/37/14/93/492371493.db2.gz KXPGDRSFAINFAE-CGTJXYLNSA-N 2 0 374.485 0.342 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642684690 492372333 /nfs/dbraw/zinc/37/23/33/492372333.db2.gz LSVKHTIFKOBCFX-UHFFFAOYSA-N 2 0 358.486 0.944 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000642712281 492377379 /nfs/dbraw/zinc/37/73/79/492377379.db2.gz FKHZJFBIKIBOOA-STQMWFEESA-N 2 0 365.453 0.218 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642732202 492382666 /nfs/dbraw/zinc/38/26/66/492382666.db2.gz YEXQVEHDSRCGQA-MRXNPFEDSA-N 2 0 350.507 0.827 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642732907 492382850 /nfs/dbraw/zinc/38/28/50/492382850.db2.gz AGQIQCQLEJYRHM-ZWKOTPCHSA-N 2 0 374.485 0.434 20 0 FCADRP CC1([NH3+])CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000642732933 492383091 /nfs/dbraw/zinc/38/30/91/492383091.db2.gz GAPHGQBRKFAZCW-UHFFFAOYSA-N 2 0 358.486 0.891 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000642750488 492384521 /nfs/dbraw/zinc/38/45/21/492384521.db2.gz FODMATWKRAWVJN-JYJNAYRXSA-N 2 0 354.495 0.332 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642750509 492385343 /nfs/dbraw/zinc/38/53/43/492385343.db2.gz NNQXRPSBVKZUIX-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759537 492386404 /nfs/dbraw/zinc/38/64/04/492386404.db2.gz LLLDPJOXRNLFHO-RDJZCZTQSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642759552 492386783 /nfs/dbraw/zinc/38/67/83/492386783.db2.gz OLTITRPAYABPDB-XGXHKWSGSA-N 2 0 370.497 0.834 20 0 FCADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000647988390 492391193 /nfs/dbraw/zinc/39/11/93/492391193.db2.gz CUFNLPRVMCPNRL-ZDUSSCGKSA-N 2 0 354.476 0.149 20 0 FCADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642787186 492392053 /nfs/dbraw/zinc/39/20/53/492392053.db2.gz GFOFLVKSNTUEEM-MRXNPFEDSA-N 2 0 359.474 0.673 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1[NH3+] ZINC000642793125 492393279 /nfs/dbraw/zinc/39/32/79/492393279.db2.gz IUMGNJUIMYVLGN-ZIAGYGMSSA-N 2 0 354.520 0.270 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000642808946 492396575 /nfs/dbraw/zinc/39/65/75/492396575.db2.gz LSAQJKHXACRDEA-NVXWUHKLSA-N 2 0 362.449 0.584 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000642901791 492399320 /nfs/dbraw/zinc/39/93/20/492399320.db2.gz DUGLSVCGCBOTHT-HOTGVXAUSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642908241 492401241 /nfs/dbraw/zinc/40/12/41/492401241.db2.gz MEIHWTYYWFOAPL-SZMVWBNQSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000642910323 492402552 /nfs/dbraw/zinc/40/25/52/492402552.db2.gz DPBFEQGNJHTMKL-OXJNMPFZSA-N 2 0 358.486 0.965 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642915502 492403145 /nfs/dbraw/zinc/40/31/45/492403145.db2.gz NQADVTWZSOJDAS-QGZVFWFLSA-N 2 0 350.507 0.969 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919013 492403562 /nfs/dbraw/zinc/40/35/62/492403562.db2.gz KYKMALLJMSLANP-UHFFFAOYSA-N 2 0 350.438 0.584 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000642922020 492404874 /nfs/dbraw/zinc/40/48/74/492404874.db2.gz FGYKXMIUSAGGEO-AEFFLSMTSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000642982015 492410055 /nfs/dbraw/zinc/41/00/55/492410055.db2.gz NSHKIMVRLLLEPJ-WMZOPIPTSA-N 2 0 356.470 0.849 20 0 FCADRP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642982244 492410139 /nfs/dbraw/zinc/41/01/39/492410139.db2.gz RVNOUVCZFFJIOU-OTWHNJEPSA-N 2 0 370.497 0.835 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)o1 ZINC000642982358 492411151 /nfs/dbraw/zinc/41/11/51/492411151.db2.gz UGSHNMYFVLBDEB-HNNXBMFYSA-N 2 0 350.463 0.737 20 0 FCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642988413 492411968 /nfs/dbraw/zinc/41/19/68/492411968.db2.gz WINUTCNHSBKQOZ-WBVHZDCISA-N 2 0 367.538 0.247 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838027 492421635 /nfs/dbraw/zinc/42/16/35/492421635.db2.gz WMHGSGJBEDWFSX-UWVAXJGDSA-N 2 0 358.486 0.615 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621841625 492423705 /nfs/dbraw/zinc/42/37/05/492423705.db2.gz XUGNLXLZPKRYBQ-JTDSTZFVSA-N 2 0 350.507 0.810 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844077 492424587 /nfs/dbraw/zinc/42/45/87/492424587.db2.gz OUVWDIRPEOEBMC-LPHOPBHVSA-N 2 0 350.507 0.955 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc(F)cc1 ZINC000621844551 492425115 /nfs/dbraw/zinc/42/51/15/492425115.db2.gz TUFOIDULIJCMHN-GMBSWORKSA-N 2 0 362.449 0.884 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621846061 492426256 /nfs/dbraw/zinc/42/62/56/492426256.db2.gz VHRFYZNYHRDTGR-YLJYHZDGSA-N 2 0 358.486 0.747 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)o1 ZINC000622026230 492442590 /nfs/dbraw/zinc/44/25/90/492442590.db2.gz HDBFEPSVICHBLK-HNAYVOBHSA-N 2 0 362.474 0.818 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028274 492443385 /nfs/dbraw/zinc/44/33/85/492443385.db2.gz OUUMWVWMIIBMTI-CRAIPNDOSA-N 2 0 354.495 0.143 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030450 492445326 /nfs/dbraw/zinc/44/53/26/492445326.db2.gz WLSOUNYUPQHWIY-YJBOKZPZSA-N 2 0 364.515 0.978 20 0 FCADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622031798 492445951 /nfs/dbraw/zinc/44/59/51/492445951.db2.gz UGVFZJBQSXEAAV-DNVCBOLYSA-N 2 0 362.474 0.900 20 0 FCADRP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000643419446 492454193 /nfs/dbraw/zinc/45/41/93/492454193.db2.gz IXVSCHULAMRAEH-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655556309 492455801 /nfs/dbraw/zinc/45/58/01/492455801.db2.gz HPAROSZRMGMYRR-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552410 492456521 /nfs/dbraw/zinc/45/65/21/492456521.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 2 0 367.538 0.301 20 0 FCADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000655556561 492456603 /nfs/dbraw/zinc/45/66/03/492456603.db2.gz UFEZBVYMBDRHHT-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512573 492462932 /nfs/dbraw/zinc/46/29/32/492462932.db2.gz OAHIQUKEALONEW-ROUUACIJSA-N 2 0 350.507 0.478 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478992 492475680 /nfs/dbraw/zinc/47/56/80/492475680.db2.gz ZKBWVYHHZQZWFT-DLBZAZTESA-N 2 0 371.485 0.578 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C[C@H]12 ZINC000643483313 492476803 /nfs/dbraw/zinc/47/68/03/492476803.db2.gz KHCXVMVDDGCUCF-FGTMMUONSA-N 2 0 362.518 0.907 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000643483269 492476850 /nfs/dbraw/zinc/47/68/50/492476850.db2.gz DBNIETXEPGTBJH-DOTOQJQBSA-N 2 0 366.506 0.286 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000635583609 492477664 /nfs/dbraw/zinc/47/76/64/492477664.db2.gz SYBVONAAENXWGZ-UHFFFAOYSA-N 2 0 353.507 0.916 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C[C@H]12 ZINC000643483315 492478218 /nfs/dbraw/zinc/47/82/18/492478218.db2.gz KHCXVMVDDGCUCF-OKZBNKHCSA-N 2 0 362.518 0.907 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643494158 492481704 /nfs/dbraw/zinc/48/17/04/492481704.db2.gz MDPXARJHTATZNP-SJORKVTESA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643494345 492481771 /nfs/dbraw/zinc/48/17/71/492481771.db2.gz YPNXYPVFRJBXHI-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000643494669 492481823 /nfs/dbraw/zinc/48/18/23/492481823.db2.gz WZGNVIBVHOFLTQ-GJZGRUSLSA-N 2 0 354.495 0.141 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)o1 ZINC000643494332 492481946 /nfs/dbraw/zinc/48/19/46/492481946.db2.gz UPNLTSXEAUSDET-QGZVFWFLSA-N 2 0 364.490 0.935 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000643503014 492483717 /nfs/dbraw/zinc/48/37/17/492483717.db2.gz YMEZVBDBDBDFFE-PMPSAXMXSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000643503513 492483846 /nfs/dbraw/zinc/48/38/46/492483846.db2.gz LNUYVVJIFPJITO-GDBMZVCRSA-N 2 0 352.479 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C[C@H]1[NH3+] ZINC000643509827 492484575 /nfs/dbraw/zinc/48/45/75/492484575.db2.gz XTMWJLJXCBWYRC-BRWVUGGUSA-N 2 0 350.507 0.907 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643525115 492490645 /nfs/dbraw/zinc/49/06/45/492490645.db2.gz WWMNKSIOBXNMIZ-FUHWJXTLSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000643532115 492492063 /nfs/dbraw/zinc/49/20/63/492492063.db2.gz NANKWYYAFNQBKR-GDBMZVCRSA-N 2 0 354.495 0.141 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643532533 492492844 /nfs/dbraw/zinc/49/28/44/492492844.db2.gz SCTCENOPJSIGHG-RCCFBDPRSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC[C@@H]1[NH3+] ZINC000643539789 492493889 /nfs/dbraw/zinc/49/38/89/492493889.db2.gz JPLXVYDBRPGLGK-IKGGRYGDSA-N 2 0 368.522 0.532 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549775 492496915 /nfs/dbraw/zinc/49/69/15/492496915.db2.gz OTVPMSLWVOBUOV-NXHRZFHOSA-N 2 0 362.518 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643549938 492497667 /nfs/dbraw/zinc/49/76/67/492497667.db2.gz BVIUXGKLUJQYKL-SIUPPRGNSA-N 2 0 374.460 0.631 20 0 FCADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000649271404 492516805 /nfs/dbraw/zinc/51/68/05/492516805.db2.gz GYCZEBAPIWHWKY-IBGZPJMESA-N 3 0 370.501 0.165 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)c1 ZINC000649322137 492533085 /nfs/dbraw/zinc/53/30/85/492533085.db2.gz ALZUOLCDBIZHFR-ZDUSSCGKSA-N 2 0 357.418 0.179 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)C1 ZINC000649344186 492540477 /nfs/dbraw/zinc/54/04/77/492540477.db2.gz CCPZNVDUPZHKHX-JKSUJKDBSA-N 2 0 354.495 0.286 20 0 FCADRP C[N@H+](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)CC(C)(C)C ZINC000636023334 492540881 /nfs/dbraw/zinc/54/08/81/492540881.db2.gz GWDUXGNDCXKGGY-UHFFFAOYSA-N 2 0 354.539 0.877 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000649349369 492543149 /nfs/dbraw/zinc/54/31/49/492543149.db2.gz DDIBKRVHPQSXCL-MSOLQXFVSA-N 2 0 354.458 0.775 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656294488 492573934 /nfs/dbraw/zinc/57/39/34/492573934.db2.gz AZMGMEIJWUQEGF-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656299094 492576874 /nfs/dbraw/zinc/57/68/74/492576874.db2.gz XAHNSNQWMGDNES-JKSUJKDBSA-N 2 0 354.495 0.204 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656300832 492577010 /nfs/dbraw/zinc/57/70/10/492577010.db2.gz DLUIRNBYJKAETE-IAGOWNOFSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656301131 492578322 /nfs/dbraw/zinc/57/83/22/492578322.db2.gz HVDMFLSMHMDBOW-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCn1ncc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1-c1ccccc1 ZINC000629168893 492582655 /nfs/dbraw/zinc/58/26/55/492582655.db2.gz HVASMCQWPYWXMI-QGZVFWFLSA-N 2 0 371.485 0.908 20 0 FCADRP CN(C)c1ncc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1C ZINC000656311770 492585635 /nfs/dbraw/zinc/58/56/35/492585635.db2.gz HTCCXWKAOUMTCV-LSDHHAIUSA-N 2 0 362.478 0.235 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656336890 492600469 /nfs/dbraw/zinc/60/04/69/492600469.db2.gz DLHMDGCBHUHFGU-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP Nc1nc(N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)nc(N)[nH+]1 ZINC000623960715 492609272 /nfs/dbraw/zinc/60/92/72/492609272.db2.gz FFTWCRJUSUQCLK-NSHDSACASA-N 2 0 351.817 0.988 20 0 FCADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(CCN3CC[NH+](C)CC3)nn2)c1 ZINC000656437641 492622070 /nfs/dbraw/zinc/62/20/70/492622070.db2.gz BUDBAIVBYJEBFT-UHFFFAOYSA-N 2 0 357.462 0.350 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CC1 ZINC000629417429 492624124 /nfs/dbraw/zinc/62/41/24/492624124.db2.gz HQUALUWEAKCTHH-UHFFFAOYSA-N 2 0 352.523 0.727 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000656498240 492625962 /nfs/dbraw/zinc/62/59/62/492625962.db2.gz WHHZECDHTJDZFY-UHFFFAOYSA-N 2 0 367.519 0.217 20 0 FCADRP CC[NH+](CC(=O)N1CC2CN(C(=O)C[N@@H+](CC)C3CC3)CC2C1)C1CC1 ZINC000650399869 492638563 /nfs/dbraw/zinc/63/85/63/492638563.db2.gz DOTIZUDCTGPWNW-UHFFFAOYSA-N 2 0 362.518 0.872 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561738 492645797 /nfs/dbraw/zinc/64/57/97/492645797.db2.gz ZCZORRHYDHXAQN-UXHICEINSA-N 2 0 374.529 0.930 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1CC=CC1 ZINC000636664448 492654098 /nfs/dbraw/zinc/65/40/98/492654098.db2.gz UIOGYSXPOFZBHS-UHFFFAOYSA-N 2 0 371.485 0.792 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644195562 492666187 /nfs/dbraw/zinc/66/61/87/492666187.db2.gz DAFYYNOVVWCBDQ-INIZCTEOSA-N 2 0 373.501 0.677 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226390 492672733 /nfs/dbraw/zinc/67/27/33/492672733.db2.gz GQAHWRFFAZINCN-OKZBNKHCSA-N 2 0 356.470 0.669 20 0 FCADRP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225680 492673188 /nfs/dbraw/zinc/67/31/88/492673188.db2.gz HLNBESPZIIRFFN-IPMKNSEASA-N 2 0 370.497 0.978 20 0 FCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629801991 492679955 /nfs/dbraw/zinc/67/99/55/492679955.db2.gz QKRRZGZRWUHIKE-OLZOCXBDSA-N 2 0 366.428 0.771 20 0 FCADRP O=C(C[C@@]1(O)CCC[NH+](Cc2ccccc2)C1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917592 492704421 /nfs/dbraw/zinc/70/44/21/492704421.db2.gz GNSZHLHTJVVWFZ-ICSRJNTNSA-N 2 0 361.486 0.586 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC[N@@H+]1C ZINC000636843861 492707446 /nfs/dbraw/zinc/70/74/46/492707446.db2.gz MIWGLSZTCRFHEX-RKVPGOIHSA-N 2 0 354.495 0.384 20 0 FCADRP C[N@H+](CC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)C1CCC1 ZINC000629958244 492708988 /nfs/dbraw/zinc/70/89/88/492708988.db2.gz QAEXYMOOVIQAOD-UHFFFAOYSA-N 2 0 359.474 0.884 20 0 FCADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000630825447 492777670 /nfs/dbraw/zinc/77/76/70/492777670.db2.gz HBEXZHLZNMIBIA-LTCOOKNTSA-N 2 0 360.502 0.718 20 0 FCADRP C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631163205 492801838 /nfs/dbraw/zinc/80/18/38/492801838.db2.gz LTOLLPGXYPYZEX-USTZCAOPSA-N 2 0 364.534 0.929 20 0 FCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637363004 492811835 /nfs/dbraw/zinc/81/18/35/492811835.db2.gz NJIIIHVEIJNYAP-UHFFFAOYSA-N 2 0 367.538 0.864 20 0 FCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+](C2CC2)C1 ZINC000637373153 492812811 /nfs/dbraw/zinc/81/28/11/492812811.db2.gz NDZIKCCUWHZAMP-ZBFHGGJFSA-N 2 0 351.495 0.452 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373795 492813784 /nfs/dbraw/zinc/81/37/84/492813784.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 0 369.510 0.078 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377068 492816094 /nfs/dbraw/zinc/81/60/94/492816094.db2.gz VBHITJVESZQJMI-OAGGEKHMSA-N 2 0 353.511 0.840 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658089787 492836654 /nfs/dbraw/zinc/83/66/54/492836654.db2.gz ICPRYXWDMOAWDA-UHFFFAOYSA-N 2 0 361.490 0.776 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000658120686 492841169 /nfs/dbraw/zinc/84/11/69/492841169.db2.gz XKILLYMSVXIDKT-AWEZNQCLSA-N 2 0 364.494 0.620 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000631767362 492848825 /nfs/dbraw/zinc/84/88/25/492848825.db2.gz JYBYTWPHRMSALD-UHFFFAOYSA-N 2 0 372.579 0.904 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000631803960 492855997 /nfs/dbraw/zinc/85/59/97/492855997.db2.gz QOPPKZQVEYYVKI-QGZVFWFLSA-N 2 0 358.552 0.514 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631898351 492872414 /nfs/dbraw/zinc/87/24/14/492872414.db2.gz JETNSEMWSLAMOQ-UHFFFAOYSA-N 2 0 372.535 0.042 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000645178562 492875018 /nfs/dbraw/zinc/87/50/18/492875018.db2.gz LGJRNHZGMNMFON-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP COc1cccc([C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[NH+](C)C)c1 ZINC000645178783 492875372 /nfs/dbraw/zinc/87/53/72/492875372.db2.gz PAGOXMXOORWIHX-DLBZAZTESA-N 2 0 362.474 0.672 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000631917829 492883451 /nfs/dbraw/zinc/88/34/51/492883451.db2.gz PGACBGMWZQJPQK-UHFFFAOYSA-N 2 0 360.524 0.150 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000631932100 492891613 /nfs/dbraw/zinc/89/16/13/492891613.db2.gz PZEQJYJWGCHUJJ-UHFFFAOYSA-N 2 0 354.520 0.415 20 0 FCADRP COCC1(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[NH2+]CC1 ZINC000652218515 492895939 /nfs/dbraw/zinc/89/59/39/492895939.db2.gz NNNSRSGTQPYVRS-YESZJQIVSA-N 2 0 368.522 0.931 20 0 FCADRP C[C@@H]([NH2+]C1(CNC(=O)CN2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000638117801 492909411 /nfs/dbraw/zinc/90/94/11/492909411.db2.gz XULWWSMZHBOENF-QGZVFWFLSA-N 2 0 360.502 0.908 20 0 FCADRP C[C@H](CC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973246 492909922 /nfs/dbraw/zinc/90/99/22/492909922.db2.gz RFQZKGGKARQVTE-OBKDMQGPSA-N 2 0 372.550 0.391 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)NCCC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000652324060 492910364 /nfs/dbraw/zinc/91/03/64/492910364.db2.gz UXEWXGPODSDLDD-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652347735 492913035 /nfs/dbraw/zinc/91/30/35/492913035.db2.gz KKCWOXHPBRVJJH-RRFJBIMHSA-N 2 0 352.479 0.925 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652347676 492913189 /nfs/dbraw/zinc/91/31/89/492913189.db2.gz JHGMVRDZTNKOSJ-LEUOFYLZSA-N 2 0 366.506 0.284 20 0 FCADRP CC(C)[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000632032063 492914627 /nfs/dbraw/zinc/91/46/27/492914627.db2.gz SAEFJPSRXBBWIV-KRWDZBQOSA-N 2 0 360.568 0.664 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000632035904 492914881 /nfs/dbraw/zinc/91/48/81/492914881.db2.gz DYDQZFFALXDCKI-GOSISDBHSA-N 2 0 372.579 0.762 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363178 492916279 /nfs/dbraw/zinc/91/62/79/492916279.db2.gz ZNTFFLUYKXQZDZ-KBAYOESNSA-N 3 0 352.523 0.948 20 0 FCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CN1CC[NH2+]CC1 ZINC000638138718 492916812 /nfs/dbraw/zinc/91/68/12/492916812.db2.gz GABDFUQLHNIEJF-UHFFFAOYSA-N 2 0 361.490 0.681 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000652463673 492939630 /nfs/dbraw/zinc/93/96/30/492939630.db2.gz PPPLWIGDOKVCIT-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000638480268 492951559 /nfs/dbraw/zinc/95/15/59/492951559.db2.gz JNJAEDVTXHONLJ-HXUWFJFHSA-N 2 0 371.485 0.087 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000638556522 492960124 /nfs/dbraw/zinc/96/01/24/492960124.db2.gz LZFHZMMGMJNAOS-STQMWFEESA-N 2 0 359.396 0.948 20 0 FCADRP CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638558237 492960457 /nfs/dbraw/zinc/96/04/57/492960457.db2.gz WEMJBJYCQIYXLW-VXGBXAGGSA-N 2 0 352.401 0.429 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000638603387 492964737 /nfs/dbraw/zinc/96/47/37/492964737.db2.gz RYTOPZCZHTUDSE-OAHLLOKOSA-N 2 0 362.478 0.530 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cn1 ZINC000652621660 492971856 /nfs/dbraw/zinc/97/18/56/492971856.db2.gz QQAYQEXIGDZFQP-UHFFFAOYSA-N 2 0 362.478 0.374 20 0 FCADRP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1=O ZINC000638720239 492972926 /nfs/dbraw/zinc/97/29/26/492972926.db2.gz SGHXIOMQRBPGDB-FZKQIMNGSA-N 2 0 352.479 0.532 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000638728112 492973288 /nfs/dbraw/zinc/97/32/88/492973288.db2.gz KGLHYFRTVLTDHH-UHFFFAOYSA-N 2 0 352.523 0.774 20 0 FCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638753513 492976368 /nfs/dbraw/zinc/97/63/68/492976368.db2.gz XJGLOOABBPIDDB-AEFFLSMTSA-N 2 0 369.473 0.736 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638753515 492976505 /nfs/dbraw/zinc/97/65/05/492976505.db2.gz XJGLOOABBPIDDB-SJLPKXTDSA-N 2 0 369.473 0.736 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836000 492981738 /nfs/dbraw/zinc/98/17/38/492981738.db2.gz PPMHQOKZLIDERA-IEZWGBDMSA-N 2 0 360.502 0.970 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)C1=O ZINC000638856845 492982376 /nfs/dbraw/zinc/98/23/76/492982376.db2.gz VBVDOHUMUJVWCI-MSOLQXFVSA-N 2 0 356.470 0.685 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000638855702 492982859 /nfs/dbraw/zinc/98/28/59/492982859.db2.gz HUQRLONJIAZAHD-CZUORRHYSA-N 2 0 374.489 0.302 20 0 FCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652668360 492983088 /nfs/dbraw/zinc/98/30/88/492983088.db2.gz YJBYJXWAQJQDSM-NXOAAHMSSA-N 2 0 368.522 0.578 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673712 492984845 /nfs/dbraw/zinc/98/48/45/492984845.db2.gz YSQOENVWSLGNBR-ZHCJQAHYSA-N 2 0 368.522 0.291 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949241 492988930 /nfs/dbraw/zinc/98/89/30/492988930.db2.gz ZJUZUDVAKHYKFZ-QAETUUGQSA-N 2 0 350.507 0.953 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684575 492989842 /nfs/dbraw/zinc/98/98/42/492989842.db2.gz ROWUBUHKKYARPG-QAETUUGQSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[N@H+](C)C1CC1 ZINC000652686261 492990638 /nfs/dbraw/zinc/99/06/38/492990638.db2.gz CNNULBDTUBYOBB-AESZEHBQSA-N 2 0 366.506 0.330 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)NCCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000652693208 492992319 /nfs/dbraw/zinc/99/23/19/492992319.db2.gz OXVFWEDGPURUJH-UHFFFAOYSA-N 2 0 364.465 0.880 20 0 FCADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000639056550 492993465 /nfs/dbraw/zinc/99/34/65/492993465.db2.gz DZGMAAKIQZPLHG-UHFFFAOYSA-N 2 0 354.520 0.840 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978116 492995433 /nfs/dbraw/zinc/99/54/33/492995433.db2.gz SHHCDTZFGDAXDJ-FUHWJXTLSA-N 2 0 360.506 0.706 20 0 FCADRP CN(CC[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000639170619 493000408 /nfs/dbraw/zinc/00/04/08/493000408.db2.gz WIEULSMMWYCMES-UHFFFAOYSA-N 2 0 354.520 0.792 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000639163371 493000693 /nfs/dbraw/zinc/00/06/93/493000693.db2.gz XGTMAJWKWAEODS-ZBFHGGJFSA-N 2 0 361.552 0.919 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000652725079 493004146 /nfs/dbraw/zinc/00/41/46/493004146.db2.gz WTJXPAYOMQKRRB-UHFFFAOYSA-N 2 0 366.506 0.063 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725716 493005022 /nfs/dbraw/zinc/00/50/22/493005022.db2.gz RGJDMWYUWMIYDL-KRWDZBQOSA-N 2 0 350.507 0.683 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730375 493008379 /nfs/dbraw/zinc/00/83/79/493008379.db2.gz VYEUPQNIJCSENI-GVDBMIGSSA-N 2 0 368.522 0.532 20 0 FCADRP CNS(=O)(=O)[C@H]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639545126 493018719 /nfs/dbraw/zinc/01/87/19/493018719.db2.gz REIIZAOUEMCRGR-IRXDYDNUSA-N 2 0 353.488 0.247 20 0 FCADRP CNS(=O)(=O)[C@@H]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639545127 493018955 /nfs/dbraw/zinc/01/89/55/493018955.db2.gz REIIZAOUEMCRGR-SJORKVTESA-N 2 0 353.488 0.247 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000646188226 493024991 /nfs/dbraw/zinc/02/49/91/493024991.db2.gz OSSOUOLAUQNCKL-UHFFFAOYSA-N 2 0 361.490 0.887 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000646214253 493028939 /nfs/dbraw/zinc/02/89/39/493028939.db2.gz PVUSLPAGGKLEKX-INMHGKMJSA-N 2 0 363.506 0.701 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000626879711 493045518 /nfs/dbraw/zinc/04/55/18/493045518.db2.gz MYNMDXCNOZAKFQ-HNNXBMFYSA-N 2 0 364.446 0.060 20 0 FCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000626879793 493045674 /nfs/dbraw/zinc/04/56/74/493045674.db2.gz PYVIDVZTLOKIFH-GOSISDBHSA-N 2 0 374.485 0.962 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646428266 493048613 /nfs/dbraw/zinc/04/86/13/493048613.db2.gz MBXKBDDYRGOQLW-GJZGRUSLSA-N 2 0 350.467 0.213 20 0 FCADRP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000639849632 493055309 /nfs/dbraw/zinc/05/53/09/493055309.db2.gz PWLBXVYFQCCSMT-LWYYNNOASA-N 2 0 364.486 0.322 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000626922230 493064091 /nfs/dbraw/zinc/06/40/91/493064091.db2.gz RJLBUNSVMWYTLN-GOSISDBHSA-N 2 0 361.490 0.092 20 0 FCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000646600139 493066686 /nfs/dbraw/zinc/06/66/86/493066686.db2.gz DDQPRYNLVHVKIM-OAHLLOKOSA-N 2 0 358.446 0.949 20 0 FCADRP CN(CCOCC[NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000626994469 493076367 /nfs/dbraw/zinc/07/63/67/493076367.db2.gz FKDIIZJISFAMFV-UHFFFAOYSA-N 2 0 371.526 0.230 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1=O ZINC000653183288 493081986 /nfs/dbraw/zinc/08/19/86/493081986.db2.gz BYEZCILLXSBPSZ-YVSFHVDLSA-N 2 0 366.506 0.141 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)C1 ZINC000653181306 493082106 /nfs/dbraw/zinc/08/21/06/493082106.db2.gz DOPIYMAKHFFEGS-FPCVCCKLSA-N 2 0 352.479 0.071 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000627064811 493085804 /nfs/dbraw/zinc/08/58/04/493085804.db2.gz XDJVTSVRCCSMQT-QWHCGFSZSA-N 2 0 351.417 0.450 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1=O ZINC000653261430 493086932 /nfs/dbraw/zinc/08/69/32/493086932.db2.gz RJZJRDMXIQOSJG-VQHPVUNQSA-N 2 0 366.506 0.284 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000633004856 493101752 /nfs/dbraw/zinc/10/17/52/493101752.db2.gz ISQYUEFQENPQDW-CJNGLKHVSA-N 2 0 360.462 0.299 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000633004862 493101941 /nfs/dbraw/zinc/10/19/41/493101941.db2.gz ISQYUEFQENPQDW-XJKSGUPXSA-N 2 0 360.462 0.299 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633031932 493106542 /nfs/dbraw/zinc/10/65/42/493106542.db2.gz SXSQPHUJZPJPFC-OKILXGFUSA-N 2 0 360.462 0.441 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000627233590 493113758 /nfs/dbraw/zinc/11/37/58/493113758.db2.gz BSWUOAHRAAADQI-DOTOQJQBSA-N 2 0 361.494 0.734 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000627234803 493114430 /nfs/dbraw/zinc/11/44/30/493114430.db2.gz LJGNLWGHZMTOIB-OIISXLGYSA-N 2 0 361.494 0.876 20 0 FCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000633085000 493118326 /nfs/dbraw/zinc/11/83/26/493118326.db2.gz NJUHECDZASTICK-KURKYZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633083710 493118828 /nfs/dbraw/zinc/11/88/28/493118828.db2.gz DKAXHNHVCHXZMG-KBPBESRZSA-N 2 0 366.412 0.428 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000627291237 493135870 /nfs/dbraw/zinc/13/58/70/493135870.db2.gz OIPGQSTZFLNJND-MRXNPFEDSA-N 2 0 362.474 0.756 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000633150510 493136900 /nfs/dbraw/zinc/13/69/00/493136900.db2.gz YYBVLLNRQTUMFQ-HUUCEWRRSA-N 2 0 352.479 0.038 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627295348 493138409 /nfs/dbraw/zinc/13/84/09/493138409.db2.gz ANIDMTXUBLYXGR-HNNXBMFYSA-N 2 0 356.511 0.437 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311961 493146998 /nfs/dbraw/zinc/14/69/98/493146998.db2.gz LOZHBSMYMYZSGR-WVPQZDDBSA-N 2 0 364.534 0.927 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627328761 493156395 /nfs/dbraw/zinc/15/63/95/493156395.db2.gz MSZBHXBCMOXLKO-SJORKVTESA-N 2 0 352.523 0.927 20 0 FCADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627334533 493158900 /nfs/dbraw/zinc/15/89/00/493158900.db2.gz TXCQWWLGHSFDBO-GDBMZVCRSA-N 2 0 352.479 0.004 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000659112016 493159667 /nfs/dbraw/zinc/15/96/67/493159667.db2.gz NZSUZXFCPUKCIC-CYBMUJFWSA-N 2 0 350.488 0.898 20 0 FCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006184 493161718 /nfs/dbraw/zinc/16/17/18/493161718.db2.gz XQWPWHPCEOSUSA-RDJZCZTQSA-N 2 0 372.473 0.705 20 0 FCADRP CCC[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000647091729 493161740 /nfs/dbraw/zinc/16/17/40/493161740.db2.gz FEEYVZQSTBJTDV-OWCLPIDISA-N 2 0 351.495 0.463 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627345994 493165987 /nfs/dbraw/zinc/16/59/87/493165987.db2.gz BHQMGUHQOHLOSQ-CHWSQXEVSA-N 2 0 366.428 0.820 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627356581 493172707 /nfs/dbraw/zinc/17/27/07/493172707.db2.gz KOFSYVZYSLGALZ-JQHSSLGASA-N 2 0 374.485 0.118 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641163427 493174438 /nfs/dbraw/zinc/17/44/38/493174438.db2.gz KFCGQCMNMQXWRP-UHFFFAOYSA-N 2 0 371.485 0.739 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659443280 493179388 /nfs/dbraw/zinc/17/93/88/493179388.db2.gz YYVZTGKVYCPVMW-UPJWGTAASA-N 2 0 350.467 0.807 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659443282 493180681 /nfs/dbraw/zinc/18/06/81/493180681.db2.gz YYVZTGKVYCPVMW-XQQFMLRXSA-N 2 0 350.467 0.807 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659451500 493181498 /nfs/dbraw/zinc/18/14/98/493181498.db2.gz FMJKIKPXFDTUTD-YOEHRIQHSA-N 2 0 361.490 0.791 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000627372324 493184208 /nfs/dbraw/zinc/18/42/08/493184208.db2.gz JYVBAYWFKRJVEZ-NTZNESFSSA-N 2 0 364.412 0.571 20 0 FCADRP COCC[C@@H]([NH3+])Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230804 493184869 /nfs/dbraw/zinc/18/48/69/493184869.db2.gz UUAYYTMIGFGBQA-IEBWSBKVSA-N 2 0 359.474 0.821 20 0 FCADRP O[C@@]1(Cn2cc(CCN3CC[NH2+]CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641228649 493186082 /nfs/dbraw/zinc/18/60/82/493186082.db2.gz BXOBCLBEQXAHPE-FQEVSTJZSA-N 2 0 370.501 0.363 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627379302 493188501 /nfs/dbraw/zinc/18/85/01/493188501.db2.gz IDECJSAUNRWBPC-NJAFHUGGSA-N 2 0 374.485 0.260 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CCOCC2)CC1 ZINC000659318627 493190826 /nfs/dbraw/zinc/19/08/26/493190826.db2.gz NNXOTKGUOLMFKO-UHFFFAOYSA-N 2 0 368.522 0.357 20 0 FCADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)CC2)N1 ZINC000647294552 493191248 /nfs/dbraw/zinc/19/12/48/493191248.db2.gz GSDKBBMBWZRSGY-QHZMEWJKSA-N 2 0 364.490 0.865 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659485966 493192204 /nfs/dbraw/zinc/19/22/04/493192204.db2.gz OOEWNKHAHKRZEC-UHFFFAOYSA-N 2 0 358.446 0.744 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000627387815 493194423 /nfs/dbraw/zinc/19/44/23/493194423.db2.gz BEXYXLDNHGVXGL-GOSISDBHSA-N 2 0 360.502 0.863 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000627397884 493202350 /nfs/dbraw/zinc/20/23/50/493202350.db2.gz YMJXQOAVKGGFOX-INIZCTEOSA-N 2 0 366.506 0.396 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659523973 493205490 /nfs/dbraw/zinc/20/54/90/493205490.db2.gz OPEUNRGHQKBVNG-UHFFFAOYSA-N 2 0 355.527 0.960 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538759 493208412 /nfs/dbraw/zinc/20/84/12/493208412.db2.gz LYRZYPVIQWJVQQ-CHWSQXEVSA-N 2 0 351.417 0.606 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000659553234 493211636 /nfs/dbraw/zinc/21/16/36/493211636.db2.gz WKTGMCXTZRVFMC-LSDHHAIUSA-N 2 0 353.511 0.794 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659576817 493216258 /nfs/dbraw/zinc/21/62/58/493216258.db2.gz LVZKOFHFWFHVSL-GUDVDZBRSA-N 2 0 357.502 0.821 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000659617852 493220863 /nfs/dbraw/zinc/22/08/63/493220863.db2.gz WGAYGCVPKRTNFA-AGYKMIKPSA-N 2 0 358.486 0.921 20 0 FCADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000659616520 493221229 /nfs/dbraw/zinc/22/12/29/493221229.db2.gz LPSSJVMEOHLVCP-NRGCRIOASA-N 2 0 358.486 0.921 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659619386 493221503 /nfs/dbraw/zinc/22/15/03/493221503.db2.gz XDNVVMQUKOJMJR-HFCFLWKCSA-N 2 0 365.522 0.175 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632952 493226582 /nfs/dbraw/zinc/22/65/82/493226582.db2.gz MLTQQBRBVSDNED-UHFFFAOYSA-N 2 0 358.446 0.914 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000666974431 493243102 /nfs/dbraw/zinc/24/31/02/493243102.db2.gz QCCVIIULIUYRFT-SJLPKXTDSA-N 2 0 366.506 0.603 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000659674621 493245439 /nfs/dbraw/zinc/24/54/39/493245439.db2.gz NMEYHZUKELBSBJ-BPQIPLTHSA-N 2 0 360.502 0.861 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666992287 493246937 /nfs/dbraw/zinc/24/69/37/493246937.db2.gz VKMZDZNYHBFKRJ-HNNXBMFYSA-N 2 0 355.527 0.768 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000659685621 493252415 /nfs/dbraw/zinc/25/24/15/493252415.db2.gz UGZCSBWUKNJXHG-OAGGEKHMSA-N 2 0 356.486 0.901 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659693012 493256885 /nfs/dbraw/zinc/25/68/85/493256885.db2.gz YIJYGXACARJLQK-UHFFFAOYSA-N 2 0 365.522 0.049 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659697781 493259322 /nfs/dbraw/zinc/25/93/22/493259322.db2.gz DSWWOMBNZNOIGE-QGZVFWFLSA-N 2 0 368.522 0.309 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1 ZINC000659704465 493263565 /nfs/dbraw/zinc/26/35/65/493263565.db2.gz QQRXOWDUCDPGOE-UHFFFAOYSA-N 2 0 368.547 0.852 20 0 FCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000659711092 493266827 /nfs/dbraw/zinc/26/68/27/493266827.db2.gz VWUBNNLKYSJVNI-YOEHRIQHSA-N 2 0 362.474 0.672 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000659717936 493270495 /nfs/dbraw/zinc/27/04/95/493270495.db2.gz LLPYQVDFWTZRPT-QGZVFWFLSA-N 2 0 359.474 0.263 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666515 493272013 /nfs/dbraw/zinc/27/20/13/493272013.db2.gz FQJVZKCQSJLGBY-QZTJIDSGSA-N 2 0 352.523 0.774 20 0 FCADRP COC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[C@H]1CCCC[NH+]1C ZINC000682169457 493274184 /nfs/dbraw/zinc/27/41/84/493274184.db2.gz YBFQSPDGNJCKNZ-HRCADAONSA-N 2 0 354.495 0.202 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000667298007 493274345 /nfs/dbraw/zinc/27/43/45/493274345.db2.gz ZQQZRZCKUWXDHA-UHFFFAOYSA-N 2 0 373.501 0.631 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738174 493279635 /nfs/dbraw/zinc/27/96/35/493279635.db2.gz BCUKTJVFZYDITO-HOTGVXAUSA-N 2 0 354.495 0.188 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659753887 493286431 /nfs/dbraw/zinc/28/64/31/493286431.db2.gz BCVVFPVOUXPGIE-MRXNPFEDSA-N 2 0 350.507 0.812 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000659753592 493286503 /nfs/dbraw/zinc/28/65/03/493286503.db2.gz QPXILDCLGUGAOF-GFCCVEGCSA-N 2 0 356.417 0.579 20 0 FCADRP Cc1ncc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(N)n1 ZINC000667680558 493295879 /nfs/dbraw/zinc/29/58/79/493295879.db2.gz KHJKAGLFEJJOJR-UHFFFAOYSA-N 2 0 355.446 0.704 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2ncc(C)cn2n1 ZINC000667812290 493303239 /nfs/dbraw/zinc/30/32/39/493303239.db2.gz IUHWCSLBIVMPDY-OAHLLOKOSA-N 2 0 359.478 0.921 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000673380136 493323846 /nfs/dbraw/zinc/32/38/46/493323846.db2.gz NEKSGDMTBKLHPC-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660655260 493370333 /nfs/dbraw/zinc/37/03/33/493370333.db2.gz WDOFGLFNKWPBGZ-QGZVFWFLSA-N 2 0 367.538 0.025 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668546449 493374295 /nfs/dbraw/zinc/37/42/95/493374295.db2.gz ZTZGRKSNHRGLTP-ULQDDVLXSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668548017 493374501 /nfs/dbraw/zinc/37/45/01/493374501.db2.gz DFWIQYPRCJBVSH-CVEARBPZSA-N 2 0 350.507 0.824 20 0 FCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979981 493379501 /nfs/dbraw/zinc/37/95/01/493379501.db2.gz KVDSSHBOEUOVEI-QAPCUYQASA-N 3 0 369.579 0.891 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000668643569 493389239 /nfs/dbraw/zinc/38/92/39/493389239.db2.gz KEOFPACDOHCAGQ-HNNXBMFYSA-N 2 0 364.515 0.823 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000668752694 493405356 /nfs/dbraw/zinc/40/53/56/493405356.db2.gz RYNCLOIYIMAHOB-DOTOQJQBSA-N 2 0 368.522 0.402 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668796010 493412907 /nfs/dbraw/zinc/41/29/07/493412907.db2.gz IWBFQPJVBVVVIU-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180207 493415992 /nfs/dbraw/zinc/41/59/92/493415992.db2.gz NWBQUBFZAYRXET-KURKYZTESA-N 2 0 359.470 0.805 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841167 493419574 /nfs/dbraw/zinc/41/95/74/493419574.db2.gz HGBKWEVYOBYBDC-CVEARBPZSA-N 2 0 366.506 0.347 20 0 FCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000661408800 493435566 /nfs/dbraw/zinc/43/55/66/493435566.db2.gz FWIDZXGNISKQJS-RDJZCZTQSA-N 2 0 357.458 0.283 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668934088 493440348 /nfs/dbraw/zinc/44/03/48/493440348.db2.gz VDRMIJLQLZABDU-OAGGEKHMSA-N 2 0 364.494 0.508 20 0 FCADRP O=C1CC[C@@H]2C[NH+](C/C=C/C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595784 493449564 /nfs/dbraw/zinc/44/95/64/493449564.db2.gz DYIFSUMIIDYSHG-BXNQOPRTSA-N 2 0 360.502 0.744 20 0 FCADRP Cc1nc(NC[C@](C)(O)C[NH+](C)C)nc(NC[C@](C)(O)C[NH+](C)C)c1F ZINC000685273085 493470919 /nfs/dbraw/zinc/47/09/19/493470919.db2.gz PPGSDGCEVRODFX-IRXDYDNUSA-N 2 0 372.489 0.373 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252449 493483176 /nfs/dbraw/zinc/48/31/76/493483176.db2.gz LMJXWXBMGUSFEE-JKSUJKDBSA-N 2 0 368.522 0.593 20 0 FCADRP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262966 493501768 /nfs/dbraw/zinc/50/17/68/493501768.db2.gz JGIMVFKRMBCSIO-HUUCEWRRSA-N 2 0 365.478 0.806 20 0 FCADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000662265555 493501805 /nfs/dbraw/zinc/50/18/05/493501805.db2.gz RALRFCZDYWCBQE-GJZGRUSLSA-N 2 0 363.510 0.551 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000669415706 493502903 /nfs/dbraw/zinc/50/29/03/493502903.db2.gz AJZVZZWXXBKITP-UHFFFAOYSA-N 2 0 360.506 0.939 20 0 FCADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1CCC[NH3+] ZINC000662316277 493506137 /nfs/dbraw/zinc/50/61/37/493506137.db2.gz VPFFBMVKMZQCDV-NVXWUHKLSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CCC[NH3+] ZINC000662315086 493506172 /nfs/dbraw/zinc/50/61/72/493506172.db2.gz SIAMRNVRXODGKH-IAGOWNOFSA-N 2 0 367.538 0.058 20 0 FCADRP [NH3+]C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000669486462 493506225 /nfs/dbraw/zinc/50/62/25/493506225.db2.gz LUMLJVKPHXRYTM-INIZCTEOSA-N 2 0 353.511 0.354 20 0 FCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486546 493506749 /nfs/dbraw/zinc/50/67/49/493506749.db2.gz WGUUSAHWBPGZTK-IRXDYDNUSA-N 2 0 353.511 0.210 20 0 FCADRP NC(=O)Cc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000685656608 493508007 /nfs/dbraw/zinc/50/80/07/493508007.db2.gz WNRRZWDUSOGTAX-UHFFFAOYSA-N 2 0 360.502 0.601 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CCNCC2=O)C1)c1cccc(Cl)c1 ZINC000669513943 493508196 /nfs/dbraw/zinc/50/81/96/493508196.db2.gz DTKZPLBMCUHZCE-GOEBONIOSA-N 2 0 350.850 0.763 20 0 FCADRP C[C@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000669509319 493508235 /nfs/dbraw/zinc/50/82/35/493508235.db2.gz GLNUWEGIHBTYFY-IKGGRYGDSA-N 2 0 350.507 0.683 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669530220 493508763 /nfs/dbraw/zinc/50/87/63/493508763.db2.gz XAHYXULQOQGIGD-DLBZAZTESA-N 2 0 365.522 0.714 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1F ZINC000685759523 493512936 /nfs/dbraw/zinc/51/29/36/493512936.db2.gz XDZXXKRRGWXTAN-UHFFFAOYSA-N 2 0 374.482 0.056 20 0 FCADRP [NH3+]CCn1cc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000662455908 493517485 /nfs/dbraw/zinc/51/74/85/493517485.db2.gz SDFCEINNUZUHCE-UHFFFAOYSA-N 2 0 358.446 0.641 20 0 FCADRP CC(C)[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000662480316 493519116 /nfs/dbraw/zinc/51/91/16/493519116.db2.gz QPNCCGSFCOLYAO-INIZCTEOSA-N 2 0 363.510 0.204 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662659326 493530356 /nfs/dbraw/zinc/53/03/56/493530356.db2.gz SBKFJMHMMNBDCB-ROUUACIJSA-N 2 0 358.486 0.630 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662702679 493533421 /nfs/dbraw/zinc/53/34/21/493533421.db2.gz CFILEUARAWSDLD-QZTJIDSGSA-N 2 0 374.485 0.729 20 0 FCADRP C[N@H+](CCOc1cccc(CNC(=O)C2(O)C[NH2+]C2)c1)C1CCOCC1 ZINC000662713984 493534153 /nfs/dbraw/zinc/53/41/53/493534153.db2.gz SSBWVBOLMUCZJQ-UHFFFAOYSA-N 2 0 363.458 0.127 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662715627 493534261 /nfs/dbraw/zinc/53/42/61/493534261.db2.gz LAFGFKDWFJVZTE-HNNXBMFYSA-N 2 0 362.396 0.295 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662715347 493534322 /nfs/dbraw/zinc/53/43/22/493534322.db2.gz HIJGKINOQLOJGV-UHFFFAOYSA-N 2 0 356.470 0.713 20 0 FCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662755454 493539066 /nfs/dbraw/zinc/53/90/66/493539066.db2.gz AUHVDFIUZSYKED-MSOLQXFVSA-N 2 0 362.474 0.615 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662759469 493539899 /nfs/dbraw/zinc/53/98/99/493539899.db2.gz XNMJWLJAZRKGGS-RBUKOAKNSA-N 2 0 360.502 0.987 20 0 FCADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000676308481 493544598 /nfs/dbraw/zinc/54/45/98/493544598.db2.gz XDPHRZILQARDTM-SJORKVTESA-N 2 0 357.543 0.621 20 0 FCADRP CS(=O)(=O)C1(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000662844574 493546304 /nfs/dbraw/zinc/54/63/04/493546304.db2.gz YWODARDHZRSHBU-HNNXBMFYSA-N 2 0 357.520 0.391 20 0 FCADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662857367 493547446 /nfs/dbraw/zinc/54/74/46/493547446.db2.gz AMNHZTOBGLQKMG-IAGOWNOFSA-N 2 0 369.469 0.983 20 0 FCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000662867647 493548256 /nfs/dbraw/zinc/54/82/56/493548256.db2.gz HQEWOXVEBWRJRT-BBWFWOEESA-N 2 0 362.449 0.646 20 0 FCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000662866001 493548262 /nfs/dbraw/zinc/54/82/62/493548262.db2.gz XZOHPSPRUSIQBW-MAZHCROVSA-N 2 0 366.412 0.395 20 0 FCADRP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901105 493550294 /nfs/dbraw/zinc/55/02/94/493550294.db2.gz SPYADMCEWNCIRB-GDBMZVCRSA-N 2 0 360.506 0.727 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000662951549 493560056 /nfs/dbraw/zinc/56/00/56/493560056.db2.gz LSNDDAHCRGJTJE-WIYYLYMNSA-N 2 0 372.513 0.959 20 0 FCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016681 493566429 /nfs/dbraw/zinc/56/64/29/493566429.db2.gz DTJRFNBWKLDTRK-NEPJUHHUSA-N 2 0 356.421 0.508 20 0 FCADRP CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670435848 493566897 /nfs/dbraw/zinc/56/68/97/493566897.db2.gz CQHSOKFMYZMVKQ-INIZCTEOSA-N 2 0 359.474 0.325 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000676698126 493567703 /nfs/dbraw/zinc/56/77/03/493567703.db2.gz MQHILNPEYIHPHX-HKUYNNGSSA-N 2 0 364.534 0.916 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000676698127 493567899 /nfs/dbraw/zinc/56/78/99/493567899.db2.gz MQHILNPEYIHPHX-IEBWSBKVSA-N 2 0 364.534 0.916 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671180 493587358 /nfs/dbraw/zinc/58/73/58/493587358.db2.gz OUMCBFCIFNFUFJ-IRXDYDNUSA-N 2 0 366.506 0.060 20 0 FCADRP CC1CC[NH+](CCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663503971 493593223 /nfs/dbraw/zinc/59/32/23/493593223.db2.gz OLCHHAWGTHZAHH-UHFFFAOYSA-N 2 0 355.527 0.770 20 0 FCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663558604 493598120 /nfs/dbraw/zinc/59/81/20/493598120.db2.gz UVOSFSGUVJHCHH-QGZVFWFLSA-N 2 0 367.538 0.565 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000670878105 493608543 /nfs/dbraw/zinc/60/85/43/493608543.db2.gz GUNOSMLTXUGDGF-QGZVFWFLSA-N 2 0 367.538 0.118 20 0 FCADRP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000677740143 493614353 /nfs/dbraw/zinc/61/43/53/493614353.db2.gz VQVGICYKSLGWCO-WNRNVDISSA-N 2 0 364.534 0.929 20 0 FCADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000677738683 493614706 /nfs/dbraw/zinc/61/47/06/493614706.db2.gz LOHMACCBVBCEPY-UHFFFAOYSA-N 2 0 360.568 0.758 20 0 FCADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663825511 493619406 /nfs/dbraw/zinc/61/94/06/493619406.db2.gz JYFQRZADFCMVQN-GOSISDBHSA-N 2 0 368.522 0.994 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071932 493629786 /nfs/dbraw/zinc/62/97/86/493629786.db2.gz WGMBEOVHZJVMMI-QAPCUYQASA-N 2 0 368.547 0.627 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664027282 493630958 /nfs/dbraw/zinc/63/09/58/493630958.db2.gz YPOBYWKFULTHDR-ROUUACIJSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000671103343 493634301 /nfs/dbraw/zinc/63/43/01/493634301.db2.gz FUNXSLFYZZBUFD-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104282 493635000 /nfs/dbraw/zinc/63/50/00/493635000.db2.gz NABNNMGGTYPSLD-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107187 493635524 /nfs/dbraw/zinc/63/55/24/493635524.db2.gz GTCNOGWANXTLDY-NCOADZHNSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671106629 493635976 /nfs/dbraw/zinc/63/59/76/493635976.db2.gz HZFCDCDMOPIQND-YYIAUSFCSA-N 2 0 366.506 0.345 20 0 FCADRP Cc1csc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000671109254 493636612 /nfs/dbraw/zinc/63/66/12/493636612.db2.gz DBAQRAYJEGYJEV-UHFFFAOYSA-N 2 0 355.508 0.062 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108115 493636710 /nfs/dbraw/zinc/63/67/10/493636710.db2.gz VSXVZDZTMCJDFE-JKSUJKDBSA-N 2 0 362.474 0.913 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108112 493636732 /nfs/dbraw/zinc/63/67/32/493636732.db2.gz VSXVZDZTMCJDFE-CVEARBPZSA-N 2 0 362.474 0.913 20 0 FCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181862 493647968 /nfs/dbraw/zinc/64/79/68/493647968.db2.gz SZWDSPWNPAWVEP-DLBZAZTESA-N 2 0 357.458 0.473 20 0 FCADRP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000671418964 493669181 /nfs/dbraw/zinc/66/91/81/493669181.db2.gz KEZKRJNUKVDDEM-GOSISDBHSA-N 2 0 358.486 0.930 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCCO1 ZINC000664758927 493681860 /nfs/dbraw/zinc/68/18/60/493681860.db2.gz QQOYPXXMAZIZLU-INIZCTEOSA-N 2 0 371.526 0.149 20 0 FCADRP C[NH+]1CCCN(C(=O)c2cccc(C(=O)N3CCC[N@@H+](C)CC3)c2N)CC1 ZINC000665159791 493702833 /nfs/dbraw/zinc/70/28/33/493702833.db2.gz BURYDOXOMFBUHR-UHFFFAOYSA-N 2 0 373.501 0.824 20 0 FCADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000665232846 493705928 /nfs/dbraw/zinc/70/59/28/493705928.db2.gz VZHQAIBCXYFTJK-YCEFEEMOSA-N 2 0 352.475 0.957 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671963616 493719590 /nfs/dbraw/zinc/71/95/90/493719590.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 2 0 367.538 0.119 20 0 FCADRP Nc1c(C(=O)NCC[NH+]2CCCC2)cccc1C(=O)NCC[NH+]1CCCC1 ZINC000665531462 493721462 /nfs/dbraw/zinc/72/14/62/493721462.db2.gz AUBWGOVLIKEBHC-UHFFFAOYSA-N 2 0 373.501 0.920 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009160 493724184 /nfs/dbraw/zinc/72/41/84/493724184.db2.gz YXQNUMFWDFSLCR-HZPDHXFCSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000681210113 493751554 /nfs/dbraw/zinc/75/15/54/493751554.db2.gz IIWSQVIHGNRVQP-GOSISDBHSA-N 2 0 362.518 0.794 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672305133 493751596 /nfs/dbraw/zinc/75/15/96/493751596.db2.gz CTXAJDWIJIGPOM-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCCC1 ZINC000672311185 493754817 /nfs/dbraw/zinc/75/48/17/493754817.db2.gz ZNRVCMLNEDZXBK-MRXNPFEDSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310825 493755280 /nfs/dbraw/zinc/75/52/80/493755280.db2.gz JHBSPPNHJGRYAP-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nonc21 ZINC000155313100 674344303 /nfs/dbraw/zinc/34/43/03/674344303.db2.gz BFOUQBKMRWWGPE-UHFFFAOYSA-N 2 0 367.475 0.869 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419444213 536497341 /nfs/dbraw/zinc/49/73/41/536497341.db2.gz CDEYZGCGTBOKPZ-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000410812543 527839993 /nfs/dbraw/zinc/83/99/93/527839993.db2.gz XYPLTVXXTBDCPL-QGZVFWFLSA-N 2 0 352.523 0.977 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410811963 527842481 /nfs/dbraw/zinc/84/24/81/527842481.db2.gz XAZSKFITVUUKDV-VQIMIIECSA-N 2 0 350.507 0.731 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000410812654 528432704 /nfs/dbraw/zinc/43/27/04/528432704.db2.gz UZZQDSBLICXHQC-MRXNPFEDSA-N 2 0 368.522 0.498 20 0 FCADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413213380 528456696 /nfs/dbraw/zinc/45/66/96/528456696.db2.gz ZXSGVYTWEDBFCV-HNNXBMFYSA-N 2 0 354.495 0.997 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173919725 529146711 /nfs/dbraw/zinc/14/67/11/529146711.db2.gz WCKNNKHUFXCCTA-INIZCTEOSA-N 2 0 365.526 0.840 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419538520 536542507 /nfs/dbraw/zinc/54/25/07/536542507.db2.gz OZNWWSYYZCBMOC-ZBFHGGJFSA-N 2 0 354.495 0.189 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419535958 536543772 /nfs/dbraw/zinc/54/37/72/536543772.db2.gz LPOUXRYFELLUJB-INIZCTEOSA-N 2 0 368.522 0.498 20 0 FCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C(C)C ZINC000423422808 535055210 /nfs/dbraw/zinc/05/52/10/535055210.db2.gz ZAPRQMXOKNXBPW-UHFFFAOYSA-N 2 0 370.538 0.920 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C(C)C ZINC000419798644 535066004 /nfs/dbraw/zinc/06/60/04/535066004.db2.gz XWCXZQUCJFKBOZ-UHFFFAOYSA-N 2 0 356.511 0.578 20 0 FCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419386930 535086052 /nfs/dbraw/zinc/08/60/52/535086052.db2.gz FBHLXUHGAPLTPX-KRWDZBQOSA-N 2 0 358.486 0.808 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418435110 535185892 /nfs/dbraw/zinc/18/58/92/535185892.db2.gz HCUKSADXAWTQEL-LSDHHAIUSA-N 2 0 353.511 0.794 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419761123 535297350 /nfs/dbraw/zinc/29/73/50/535297350.db2.gz JTOBNLWTSNVMMH-DLBZAZTESA-N 2 0 368.522 0.579 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179623 535440629 /nfs/dbraw/zinc/44/06/29/535440629.db2.gz ZTXZJCZAQHQQOK-HBUWYVDXSA-N 2 0 354.495 0.223 20 0 FCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423428927 535498037 /nfs/dbraw/zinc/49/80/37/535498037.db2.gz RYHCVYVQBWDKKP-KRWDZBQOSA-N 2 0 368.522 0.533 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423474916 535523734 /nfs/dbraw/zinc/52/37/34/535523734.db2.gz PHBNDFYHIXNJOZ-CYBMUJFWSA-N 2 0 366.428 0.916 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423515135 535542899 /nfs/dbraw/zinc/54/28/99/535542899.db2.gz FLSRXNCWYGDFQY-UHFFFAOYSA-N 2 0 368.522 0.546 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935710 535555057 /nfs/dbraw/zinc/55/50/57/535555057.db2.gz ASHFIDWAAJEICT-ZACQAIPSSA-N 2 0 350.507 0.953 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419837872 535709343 /nfs/dbraw/zinc/70/93/43/535709343.db2.gz XBRVMHYWIISAKL-MRXNPFEDSA-N 2 0 367.538 0.154 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419837649 535710186 /nfs/dbraw/zinc/71/01/86/535710186.db2.gz WXBLKEPRVUNTOM-SJORKVTESA-N 2 0 369.554 0.208 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908443 535863228 /nfs/dbraw/zinc/86/32/28/535863228.db2.gz DWEZTQOQKSMWAE-HNNXBMFYSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419873781 535864277 /nfs/dbraw/zinc/86/42/77/535864277.db2.gz YZTWTIDDNZGNQO-INIZCTEOSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800634 535865917 /nfs/dbraw/zinc/86/59/17/535865917.db2.gz IFGIEEGKDSAZFF-UHFFFAOYSA-N 2 0 350.463 0.948 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420198970 535866178 /nfs/dbraw/zinc/86/61/78/535866178.db2.gz CSGQMSXAJSGWSI-ARFHVFGLSA-N 2 0 362.474 0.674 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799712 535877255 /nfs/dbraw/zinc/87/72/55/535877255.db2.gz CSUSQXLUERIBJR-IRXDYDNUSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419219216 535904273 /nfs/dbraw/zinc/90/42/73/535904273.db2.gz TVKLRHBDAJIEEF-UHFFFAOYSA-N 2 0 362.474 0.454 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000419196423 535904295 /nfs/dbraw/zinc/90/42/95/535904295.db2.gz AYAPNBHBOYFYAV-IBGZPJMESA-N 2 0 362.474 0.441 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000419227983 535943867 /nfs/dbraw/zinc/94/38/67/535943867.db2.gz LOBWMLKTTAMUEI-IAGOWNOFSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000419639535 536028241 /nfs/dbraw/zinc/02/82/41/536028241.db2.gz JQTIRJJULXGQOT-KSZLIROESA-N 2 0 358.486 0.950 20 0 FCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000419639533 536028789 /nfs/dbraw/zinc/02/87/89/536028789.db2.gz JQTIRJJULXGQOT-BZSNNMDCSA-N 2 0 358.486 0.950 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415724340 536035154 /nfs/dbraw/zinc/03/51/54/536035154.db2.gz KTXKHOITYUNGGU-QGZVFWFLSA-N 2 0 359.474 0.193 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419158015 536336402 /nfs/dbraw/zinc/33/64/02/536336402.db2.gz MIOIZGMLCLDSTI-ZWKOTPCHSA-N 2 0 358.486 0.788 20 0 FCADRP C[NH2+][C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417379122 536357105 /nfs/dbraw/zinc/35/71/05/536357105.db2.gz FYAQKDBRXMVVJO-QGZVFWFLSA-N 3 0 360.506 0.987 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000423471848 536366598 /nfs/dbraw/zinc/36/65/98/536366598.db2.gz FLJXMOGYRWTTBP-MRXNPFEDSA-N 2 0 362.474 0.406 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@H]21 ZINC000423666507 536376867 /nfs/dbraw/zinc/37/68/67/536376867.db2.gz MJAPGXPHTNAZCB-QZTJIDSGSA-N 2 0 358.486 0.917 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423311165 536416062 /nfs/dbraw/zinc/41/60/62/536416062.db2.gz SUAQFOXUKHQLPI-MSOLQXFVSA-N 2 0 358.486 0.787 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419422120 536416349 /nfs/dbraw/zinc/41/63/49/536416349.db2.gz QADNCUIDRHXCBA-KRWDZBQOSA-N 2 0 373.501 0.135 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000419758125 536417156 /nfs/dbraw/zinc/41/71/56/536417156.db2.gz DMRBOVPTZUHENX-ZWKOTPCHSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000423733766 536422180 /nfs/dbraw/zinc/42/21/80/536422180.db2.gz QBNONDPOOIMBNZ-OAHLLOKOSA-N 2 0 360.462 0.030 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890985 536449300 /nfs/dbraw/zinc/44/93/00/536449300.db2.gz JEWLJOXTTGNBQA-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)[C@@H]2C1 ZINC000425379305 536487222 /nfs/dbraw/zinc/48/72/22/536487222.db2.gz AMVVMBOWVNBKMH-OKZBNKHCSA-N 2 0 362.518 0.729 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000423683677 536652487 /nfs/dbraw/zinc/65/24/87/536652487.db2.gz WWVOFJMOLTVEJE-HZPDHXFCSA-N 2 0 368.522 0.532 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423442251 536775293 /nfs/dbraw/zinc/77/52/93/536775293.db2.gz JTFVTFWFTZUYJX-MRXNPFEDSA-N 2 0 354.495 0.143 20 0 FCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000419883636 536943728 /nfs/dbraw/zinc/94/37/28/536943728.db2.gz WJSABWKNFDMVBU-IAGOWNOFSA-N 2 0 362.474 0.277 20 0 FCADRP CCC[C@@H]1CN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000121706100 546516401 /nfs/dbraw/zinc/51/64/01/546516401.db2.gz GWLCRIWKIHJRMJ-HCXYKTFWSA-N 2 0 357.539 0.889 20 0 FCADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCO2 ZINC000592183748 546618626 /nfs/dbraw/zinc/61/86/26/546618626.db2.gz AWTNHXZCYNDUAX-UHFFFAOYSA-N 2 0 366.384 0.561 20 0 FCADRP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736189 546747653 /nfs/dbraw/zinc/74/76/53/546747653.db2.gz JHSIHOBPGKMTAI-XQLPTFJDSA-N 2 0 356.467 0.065 20 0 FCADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCCC1 ZINC000594082630 546773285 /nfs/dbraw/zinc/77/32/85/546773285.db2.gz HHVPZSPUSZXAIF-OAHLLOKOSA-N 2 0 353.511 0.890 20 0 FCADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418505448 546907025 /nfs/dbraw/zinc/90/70/25/546907025.db2.gz FJATXKYBDSWBBA-XJKSGUPXSA-N 2 0 356.417 0.946 20 0 FCADRP C[C@@H](CO)N1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433370183 546922455 /nfs/dbraw/zinc/92/24/55/546922455.db2.gz DCQFEMYEYKBETQ-HNNXBMFYSA-N 2 0 355.504 0.825 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550709702 547098910 /nfs/dbraw/zinc/09/89/10/547098910.db2.gz CAQUKIFLBNONSE-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550838430 547109731 /nfs/dbraw/zinc/10/97/31/547109731.db2.gz HITIMYWZQRZKNN-RHSMWYFYSA-N 2 0 356.536 0.340 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000550840955 547111451 /nfs/dbraw/zinc/11/14/51/547111451.db2.gz XXBKAQOWWKWLKW-MPGHIAIKSA-N 2 0 370.563 0.871 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000550903532 547113744 /nfs/dbraw/zinc/11/37/44/547113744.db2.gz ZKFBYSYYEIDLNU-UXLLHSPISA-N 2 0 350.507 0.918 20 0 FCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911656 547115195 /nfs/dbraw/zinc/11/51/95/547115195.db2.gz UERQHEBOYJDOCI-WMLDXEAASA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000550952359 547117066 /nfs/dbraw/zinc/11/70/66/547117066.db2.gz SALLWYHROGUBMU-JKSUJKDBSA-N 2 0 356.511 0.402 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000551039520 547121258 /nfs/dbraw/zinc/12/12/58/547121258.db2.gz KLDRPGZZOOYLOX-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000551068557 547123548 /nfs/dbraw/zinc/12/35/48/547123548.db2.gz CCIZAOCJZPWNEU-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000551068558 547123771 /nfs/dbraw/zinc/12/37/71/547123771.db2.gz CCIZAOCJZPWNEU-IRXDYDNUSA-N 2 0 350.507 0.921 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000551068556 547123965 /nfs/dbraw/zinc/12/39/65/547123965.db2.gz CCIZAOCJZPWNEU-DLBZAZTESA-N 2 0 350.507 0.921 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551217970 547135577 /nfs/dbraw/zinc/13/55/77/547135577.db2.gz ZSNXHMGDHVUYPJ-IIDMSEBBSA-N 2 0 370.563 0.777 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280333 547139242 /nfs/dbraw/zinc/13/92/42/547139242.db2.gz NUVMHUMKSJCSFL-CVEARBPZSA-N 2 0 350.507 0.824 20 0 FCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551282061 547139417 /nfs/dbraw/zinc/13/94/17/547139417.db2.gz QGRSEFTWWCMDQD-JKSUJKDBSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553092446 547253253 /nfs/dbraw/zinc/25/32/53/547253253.db2.gz FZXBSMJQXXBZDB-RDJZCZTQSA-N 2 0 354.564 0.956 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000553267515 547265027 /nfs/dbraw/zinc/26/50/27/547265027.db2.gz XIIFWIGWMIJFHR-CQSZACIVSA-N 2 0 354.495 0.202 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000553346364 547271006 /nfs/dbraw/zinc/27/10/06/547271006.db2.gz ACXADEZQUAIEMA-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000553346363 547271142 /nfs/dbraw/zinc/27/11/42/547271142.db2.gz ACXADEZQUAIEMA-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949211326 674397508 /nfs/dbraw/zinc/39/75/08/674397508.db2.gz TXMDIHJPLZKPPZ-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000949868392 674414728 /nfs/dbraw/zinc/41/47/28/674414728.db2.gz MNYGIYIZAFGCBF-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735835829 598521218 /nfs/dbraw/zinc/52/12/18/598521218.db2.gz OZAZSRXSBFAORD-CYBMUJFWSA-N 2 0 359.482 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950827916 674440238 /nfs/dbraw/zinc/44/02/38/674440238.db2.gz PJOJHUXMGVHYEC-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1-c1nn[nH]n1 ZINC000821813640 599404134 /nfs/dbraw/zinc/40/41/34/599404134.db2.gz JTJNSNIFKCYYIP-UHFFFAOYSA-N 2 0 359.478 0.993 20 0 FCADRP COc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1-c1nn[nH]n1 ZINC000821813572 599431591 /nfs/dbraw/zinc/43/15/91/599431591.db2.gz JHCJHUSSMVCJDP-UHFFFAOYSA-N 2 0 359.478 0.993 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000954412750 674497032 /nfs/dbraw/zinc/49/70/32/674497032.db2.gz NEDYVTCQFCMEEZ-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000958169471 674560185 /nfs/dbraw/zinc/56/01/85/674560185.db2.gz QNDRURUQODFKOV-BRWVUGGUSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)C1 ZINC000990006762 665838046 /nfs/dbraw/zinc/83/80/46/665838046.db2.gz ZHMUTCCPURQEMZ-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C)CC[NH+]1C ZINC001020490868 663162657 /nfs/dbraw/zinc/16/26/57/663162657.db2.gz OZNFPLDMGNCPCE-ALYAQQCSSA-N 2 0 350.507 0.917 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230695 665933206 /nfs/dbraw/zinc/93/32/06/665933206.db2.gz PDWZPANATJLRBS-QGZVFWFLSA-N 2 0 354.539 0.877 20 0 FCADRP C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2)CO1 ZINC000891102956 663311166 /nfs/dbraw/zinc/31/11/66/663311166.db2.gz HUVKIIBLYNUEAG-NUJGCVRESA-N 2 0 356.511 0.848 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891346655 663354670 /nfs/dbraw/zinc/35/46/70/663354670.db2.gz BFPWBRXGTFGIEG-TUVASFSCSA-N 2 0 353.467 0.293 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891484330 663409140 /nfs/dbraw/zinc/40/91/40/663409140.db2.gz UPXBQRWFUSNTRC-HZPDHXFCSA-N 2 0 353.511 0.842 20 0 FCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000891513449 663410866 /nfs/dbraw/zinc/41/08/66/663410866.db2.gz CIPGULPBMJUUHN-ARFHVFGLSA-N 2 0 352.479 0.308 20 0 FCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891536035 663412277 /nfs/dbraw/zinc/41/22/77/663412277.db2.gz BJCSRGHVQYVFEX-UPJWGTAASA-N 2 0 352.401 0.876 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891536975 663412764 /nfs/dbraw/zinc/41/27/64/663412764.db2.gz YCCTVIXXMOIGQD-HNNXBMFYSA-N 2 0 353.511 0.842 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565070 663415476 /nfs/dbraw/zinc/41/54/76/663415476.db2.gz OZYOFKWFXKOFMU-HJOIGYKYSA-N 2 0 351.495 0.058 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1CCN(C)CC1 ZINC000891752060 663433658 /nfs/dbraw/zinc/43/36/58/663433658.db2.gz DZEVSQGZICNKGP-YQVWRLOYSA-N 2 0 351.539 0.852 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000891977153 663460627 /nfs/dbraw/zinc/46/06/27/663460627.db2.gz XBHKSFMTABTUAL-UHFFFAOYSA-N 2 0 351.495 0.501 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892080514 663474115 /nfs/dbraw/zinc/47/41/15/663474115.db2.gz ZDUHKPPYNSOWOK-BRWVUGGUSA-N 2 0 353.511 0.080 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892092037 663475370 /nfs/dbraw/zinc/47/53/70/663475370.db2.gz OEHDSNIETWKDLM-ZACQAIPSSA-N 2 0 353.511 0.080 20 0 FCADRP [NH3+]CC1(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000892107026 663476975 /nfs/dbraw/zinc/47/69/75/663476975.db2.gz GOZZHTWILDWONA-GFCCVEGCSA-N 2 0 351.417 0.783 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000892191087 663488131 /nfs/dbraw/zinc/48/81/31/663488131.db2.gz JVYNZSSPYMBIIG-YYWYGQEZSA-N 3 0 351.539 0.755 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH2+]CCC23CCOCC3)n1 ZINC000904353430 665987471 /nfs/dbraw/zinc/98/74/71/665987471.db2.gz MQDHHKOAPUIHMT-UHFFFAOYSA-N 2 0 350.467 0.821 20 0 FCADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892533017 664020896 /nfs/dbraw/zinc/02/08/96/664020896.db2.gz WDJAYZNGMYFDLD-GDBMZVCRSA-N 2 0 352.504 0.746 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000959659254 674582520 /nfs/dbraw/zinc/58/25/20/674582520.db2.gz WQQNUXFLEBRVFH-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892610647 664048888 /nfs/dbraw/zinc/04/88/88/664048888.db2.gz FGIKMTWCHVFZGQ-KRWDZBQOSA-N 2 0 350.463 0.158 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892820850 664146660 /nfs/dbraw/zinc/14/66/60/664146660.db2.gz WRONKVPUKAXYMP-QBPKDAKJSA-N 2 0 352.479 0.090 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)C2 ZINC000892878962 664152340 /nfs/dbraw/zinc/15/23/40/664152340.db2.gz HZRLIKPCEDEHJU-LBPRGKRZSA-N 2 0 353.492 0.516 20 0 FCADRP COC1CC[NH+](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892881118 664152484 /nfs/dbraw/zinc/15/24/84/664152484.db2.gz OYJHGOXWJXEUMT-UHFFFAOYSA-N 2 0 353.492 0.780 20 0 FCADRP C[C@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000892917836 664154349 /nfs/dbraw/zinc/15/43/49/664154349.db2.gz ANJFHPCENWHIFS-HNNXBMFYSA-N 2 0 353.511 0.570 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000892920551 664154373 /nfs/dbraw/zinc/15/43/73/664154373.db2.gz WFVGHWBKXWHORK-MRXNPFEDSA-N 2 0 353.511 0.665 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000892925383 664155208 /nfs/dbraw/zinc/15/52/08/664155208.db2.gz QUKBQSWAUFFGGO-OAHLLOKOSA-N 2 0 351.495 0.548 20 0 FCADRP CCOC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001025818442 664195257 /nfs/dbraw/zinc/19/52/57/664195257.db2.gz RAIWTGAKRPYWGG-BKDNHELGSA-N 2 0 351.491 0.567 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052219 664202074 /nfs/dbraw/zinc/20/20/74/664202074.db2.gz DKPSVRDSXNKGLT-IAGOWNOFSA-N 2 0 353.511 0.176 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000974187124 664227204 /nfs/dbraw/zinc/22/72/04/664227204.db2.gz DASZFRUPEJUKBI-LVQVYYBASA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(S(C)(=O)=O)C2)cc1 ZINC000893354236 664249437 /nfs/dbraw/zinc/24/94/37/664249437.db2.gz YVMSNRSGVZBNHB-UHFFFAOYSA-N 2 0 353.488 0.643 20 0 FCADRP CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000310097154 664269656 /nfs/dbraw/zinc/26/96/56/664269656.db2.gz AAFDYBNLMBINFG-UHFFFAOYSA-N 2 0 352.504 0.733 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000978834010 664446981 /nfs/dbraw/zinc/44/69/81/664446981.db2.gz BYOACLHXZMDBOH-UHDSXZAQSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979859756 664464221 /nfs/dbraw/zinc/46/42/21/664464221.db2.gz GPUPHQPUUNZWEV-WRQOLXDDSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001027893323 664472451 /nfs/dbraw/zinc/47/24/51/664472451.db2.gz SGHZRAJCTDKUOG-OWCLPIDISA-N 2 0 351.495 0.323 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981050602 664812272 /nfs/dbraw/zinc/81/22/72/664812272.db2.gz GLXXCXUDBCWENF-USXIJHARSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981050599 664812373 /nfs/dbraw/zinc/81/23/73/664812373.db2.gz GLXXCXUDBCWENF-UAGQMJEPSA-N 2 0 350.507 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCCN(CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC000981196723 664816621 /nfs/dbraw/zinc/81/66/21/664816621.db2.gz SQCMENQOISVSIJ-HUUCEWRRSA-N 2 0 350.463 0.010 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001028549513 664901486 /nfs/dbraw/zinc/90/14/86/664901486.db2.gz ABLDOYGTEJBKPA-HZSPNIEDSA-N 2 0 365.503 0.860 20 0 FCADRP Cc1csc(=O)n1CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549359 664901526 /nfs/dbraw/zinc/90/15/26/664901526.db2.gz PJBAMSDVYGXXJI-OWCLPIDISA-N 2 0 366.531 0.997 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000924993060 664955286 /nfs/dbraw/zinc/95/52/86/664955286.db2.gz NUCAQCACLUIGCT-HZPDHXFCSA-N 2 0 356.511 0.848 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925000563 664956204 /nfs/dbraw/zinc/95/62/04/664956204.db2.gz NZPXUAFZRLQZJE-JKSUJKDBSA-N 2 0 350.463 0.646 20 0 FCADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000895668779 665054592 /nfs/dbraw/zinc/05/45/92/665054592.db2.gz RAQOGVCJDSWGSU-GOSISDBHSA-N 2 0 351.491 0.811 20 0 FCADRP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000896300263 665079771 /nfs/dbraw/zinc/07/97/71/665079771.db2.gz FVQRPCXOTQMQGL-YLFCFFPRSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897146368 665148199 /nfs/dbraw/zinc/14/81/99/665148199.db2.gz RMECPQNJPOUWOI-KURKYZTESA-N 2 0 351.491 0.807 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987463988 665255295 /nfs/dbraw/zinc/25/52/95/665255295.db2.gz LULSCNPGHWXSRH-HYVNUMGLSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897480355 665292235 /nfs/dbraw/zinc/29/22/35/665292235.db2.gz XMEWPTGIGCJRLP-INIZCTEOSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC000988992512 665333309 /nfs/dbraw/zinc/33/33/09/665333309.db2.gz UCTMUQIBXHTJED-TWMKSMIVSA-N 2 0 350.507 0.918 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000906464932 666053969 /nfs/dbraw/zinc/05/39/69/666053969.db2.gz HMROWAJNIIXYRV-UHFFFAOYSA-N 2 0 351.539 0.155 20 0 FCADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000906813481 666069273 /nfs/dbraw/zinc/06/92/73/666069273.db2.gz DGYBUTHPPAATKE-MRXNPFEDSA-N 2 0 352.523 0.630 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000907041438 666088586 /nfs/dbraw/zinc/08/85/86/666088586.db2.gz AALROIVZTPKBGO-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP Cn1nc(C2CC2)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000907135126 666100413 /nfs/dbraw/zinc/10/04/13/666100413.db2.gz OZYGMUXIGOOJNC-UHFFFAOYSA-N 2 0 369.535 0.944 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000907515698 666140682 /nfs/dbraw/zinc/14/06/82/666140682.db2.gz CLYOGPYLQXLHAR-ROUUACIJSA-N 2 0 354.539 0.706 20 0 FCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)([NH+](C)C)C1 ZINC000910998541 666301013 /nfs/dbraw/zinc/30/10/13/666301013.db2.gz CZJCOOFYFKXXPO-YYAJDYIMSA-N 2 0 350.507 0.681 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911034504 666307439 /nfs/dbraw/zinc/30/74/39/666307439.db2.gz OJSIUGKVGJLSJY-FPCVCCKLSA-N 2 0 354.495 0.045 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911091638 666310573 /nfs/dbraw/zinc/31/05/73/666310573.db2.gz NWIZKTUCAFQYAG-BBWFWOEESA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1)[NH+](C)C ZINC000960969389 674729509 /nfs/dbraw/zinc/72/95/09/674729509.db2.gz RWTKODRYAIMODI-YHUYYLMFSA-N 2 0 354.495 0.105 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911561473 666366343 /nfs/dbraw/zinc/36/63/43/666366343.db2.gz HAQDSBWKUORQLJ-CVEARBPZSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000991421989 666492469 /nfs/dbraw/zinc/49/24/69/666492469.db2.gz STXSDEGDWPIDDK-HLLBOEOZSA-N 2 0 350.507 0.918 20 0 FCADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000913179902 666510336 /nfs/dbraw/zinc/51/03/36/666510336.db2.gz OESUJNUJBKLBKI-XWTMOSNGSA-N 2 0 351.491 0.807 20 0 FCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000913331191 666522055 /nfs/dbraw/zinc/52/20/55/666522055.db2.gz MSLURXFZNRRRFZ-UHFFFAOYSA-N 2 0 352.523 0.583 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C)C1 ZINC000940300083 666545698 /nfs/dbraw/zinc/54/56/98/666545698.db2.gz DMXDKVKEDZZNPR-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP C[NH+]1CCC(NC(=S)NCCNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063142242 666603688 /nfs/dbraw/zinc/60/36/88/666603688.db2.gz MEBSUGDXAPPUBT-UHFFFAOYSA-N 2 0 372.608 0.103 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419407278 674761135 /nfs/dbraw/zinc/76/11/35/674761135.db2.gz KAGMVVCGPXEZJD-FCEWJHQRSA-N 2 0 350.507 0.825 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1)[NH+](C)C ZINC000945388594 666878996 /nfs/dbraw/zinc/87/89/96/666878996.db2.gz YICAXFVILDFDBG-FXUDXRNXSA-N 2 0 354.495 0.153 20 0 FCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)c1nc(CNC(=O)[C@H]2CC[NH+](C)C2)cs1 ZINC000732911754 666909606 /nfs/dbraw/zinc/90/96/06/666909606.db2.gz GWIZWIQAXVXVAA-STQMWFEESA-N 2 0 365.503 0.626 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993846222 666943387 /nfs/dbraw/zinc/94/33/87/666943387.db2.gz XXPCAVJGMRTDIM-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997102083 667088002 /nfs/dbraw/zinc/08/80/02/667088002.db2.gz VDZNVJKOIDSLPG-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000919841523 667203067 /nfs/dbraw/zinc/20/30/67/667203067.db2.gz AAUOHNCCEBBGSC-CVEARBPZSA-N 2 0 369.535 0.919 20 0 FCADRP C[NH+]1CCC(NC(=S)NC[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000920309179 667234437 /nfs/dbraw/zinc/23/44/37/667234437.db2.gz AIHWFOPWEDRQHT-INIZCTEOSA-N 2 0 369.579 0.199 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000999895522 667252596 /nfs/dbraw/zinc/25/25/96/667252596.db2.gz DUNQELNZAWVGAZ-JKSUJKDBSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCF)C3)nn2)CC[N@@H+]1C ZINC000999988056 667259375 /nfs/dbraw/zinc/25/93/75/667259375.db2.gz SKRPUTHGKCDPSB-FVQBIDKESA-N 2 0 352.458 0.841 20 0 FCADRP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679184 667259975 /nfs/dbraw/zinc/25/99/75/667259975.db2.gz LJXIAEFPLLPVOZ-OLMNPRSZSA-N 2 0 353.507 0.816 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001002247447 667526597 /nfs/dbraw/zinc/52/65/97/667526597.db2.gz KUBSIXHJFVXYSJ-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247367 667526637 /nfs/dbraw/zinc/52/66/37/667526637.db2.gz KBKWREYBVHMZOE-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001002258795 667528359 /nfs/dbraw/zinc/52/83/59/667528359.db2.gz SCOGOVTYEGWYLC-DLBZAZTESA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001002260300 667528847 /nfs/dbraw/zinc/52/88/47/667528847.db2.gz OFPXBOLIXZUZMR-HYVNUMGLSA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)N1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001002860608 667571306 /nfs/dbraw/zinc/57/13/06/667571306.db2.gz LRUGVDCMQXJNMJ-OIISXLGYSA-N 2 0 350.507 0.917 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922348674 667642651 /nfs/dbraw/zinc/64/26/51/667642651.db2.gz ZFMLZMBWILCZLU-GOSISDBHSA-N 2 0 352.523 0.631 20 0 FCADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595100 667676022 /nfs/dbraw/zinc/67/60/22/667676022.db2.gz INPQZLKTMRNWID-BPKGMFCQSA-N 2 0 350.507 0.632 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001005414764 667740397 /nfs/dbraw/zinc/74/03/97/667740397.db2.gz HPJNWQZZRAYRRB-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001034647849 667762113 /nfs/dbraw/zinc/76/21/13/667762113.db2.gz QFNBDNKMSFQSML-ZHCJQAHYSA-N 2 0 371.547 0.778 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001035371985 667776499 /nfs/dbraw/zinc/77/64/99/667776499.db2.gz JQANKTFDXOSHGW-KBAYOESNSA-N 2 0 353.507 0.960 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000922983513 667797306 /nfs/dbraw/zinc/79/73/06/667797306.db2.gz KIODUMVGPPWYOU-UHFFFAOYSA-N 2 0 351.495 0.596 20 0 FCADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)Nc1cccc(I)c1 ZINC000923351752 667827316 /nfs/dbraw/zinc/82/73/16/667827316.db2.gz LUVIYAGCJPRJMY-MRVPVSSYSA-N 2 0 362.215 0.494 20 0 FCADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503804 667842663 /nfs/dbraw/zinc/84/26/63/667842663.db2.gz OUTWHJTUHFIVKV-HUUCEWRRSA-N 2 0 354.495 0.949 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476910 667850816 /nfs/dbraw/zinc/85/08/16/667850816.db2.gz LDJIZRYHSLFKRZ-INIZCTEOSA-N 2 0 369.579 0.735 20 0 FCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006183551 667856837 /nfs/dbraw/zinc/85/68/37/667856837.db2.gz YVAGPXDHNYXVCV-JJRVBVJISA-N 2 0 350.507 0.774 20 0 FCADRP Cc1ccc([C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000923602677 667874909 /nfs/dbraw/zinc/87/49/09/667874909.db2.gz RNUHGEKKMJGZGP-QGZVFWFLSA-N 2 0 352.504 0.872 20 0 FCADRP COCc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000773663570 668102232 /nfs/dbraw/zinc/10/22/32/668102232.db2.gz YGALZQXTELNMNG-UHFFFAOYSA-N 2 0 350.463 0.723 20 0 FCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000788609842 668834615 /nfs/dbraw/zinc/83/46/15/668834615.db2.gz HXGPQMPDJMKJRN-JKSUJKDBSA-N 2 0 353.488 0.890 20 0 FCADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819063251 668975859 /nfs/dbraw/zinc/97/58/59/668975859.db2.gz YASHIJFTQWKVSE-GOSISDBHSA-N 2 0 358.527 0.878 20 0 FCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000831290679 669839329 /nfs/dbraw/zinc/83/93/29/669839329.db2.gz DQKXIZCXGPTBPZ-HZPDHXFCSA-N 2 0 353.511 0.795 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000831517931 669849310 /nfs/dbraw/zinc/84/93/10/669849310.db2.gz LGHUZXVNQYIBNY-UHFFFAOYSA-N 2 0 350.467 0.773 20 0 FCADRP CCOC(=O)C1=C(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)NC(=O)N[C@H]1C ZINC000818340518 670097580 /nfs/dbraw/zinc/09/75/80/670097580.db2.gz OMMNWSINEIUVBA-STQMWFEESA-N 2 0 350.463 0.969 20 0 FCADRP CC1(C)CN=C(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)S1 ZINC000841008311 670531462 /nfs/dbraw/zinc/53/14/62/670531462.db2.gz WUAQLMXTGZKENQ-AWEZNQCLSA-N 2 0 353.536 0.683 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)([NH+](C)C)C1 ZINC000842034911 670628989 /nfs/dbraw/zinc/62/89/89/670628989.db2.gz DGNSDPIOOCJHML-LZQZEXGQSA-N 2 0 350.507 0.968 20 0 FCADRP CCOC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1F ZINC000842480955 670693339 /nfs/dbraw/zinc/69/33/39/670693339.db2.gz FUNIQXBRLBFNOE-UHFFFAOYSA-N 2 0 361.439 0.691 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000843262811 670790127 /nfs/dbraw/zinc/79/01/27/670790127.db2.gz UFHFAUNXUSWQIW-MRXNPFEDSA-N 2 0 354.495 0.381 20 0 FCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363833 670807073 /nfs/dbraw/zinc/80/70/73/670807073.db2.gz CVMLKEBGGLULED-CYBMUJFWSA-N 2 0 366.487 0.737 20 0 FCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364948 670807997 /nfs/dbraw/zinc/80/79/97/670807997.db2.gz WZKPHDGTSUUJIV-STQMWFEESA-N 2 0 351.451 0.332 20 0 FCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364728 670808329 /nfs/dbraw/zinc/80/83/29/670808329.db2.gz NMFMPWOFKYCIHK-UHFFFAOYSA-N 2 0 366.487 0.656 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000967980863 675167863 /nfs/dbraw/zinc/16/78/63/675167863.db2.gz WANPEWQCHMMIOT-BHYGNILZSA-N 2 0 350.507 0.728 20 0 FCADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000968010510 675177730 /nfs/dbraw/zinc/17/77/30/675177730.db2.gz RCXZVHRRPORBIC-DJIMGWMZSA-N 2 0 352.523 0.972 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051252 671316463 /nfs/dbraw/zinc/31/64/63/671316463.db2.gz CSLIROYUTHFPTP-QWHCGFSZSA-N 2 0 351.417 0.848 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000849109141 671318167 /nfs/dbraw/zinc/31/81/67/671318167.db2.gz WFHFHUAUYJKLKG-AWEZNQCLSA-N 2 0 353.492 0.741 20 0 FCADRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111007 671318378 /nfs/dbraw/zinc/31/83/78/671318378.db2.gz RPIKTWZGSNQZKC-AWEZNQCLSA-N 2 0 356.515 0.651 20 0 FCADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000852748766 671523155 /nfs/dbraw/zinc/52/31/55/671523155.db2.gz CQQCJQXUFJBZRS-OAHLLOKOSA-N 2 0 352.479 0.751 20 0 FCADRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)[C@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000859243324 671803714 /nfs/dbraw/zinc/80/37/14/671803714.db2.gz ASSDYGVOMJOWRH-HDICACEKSA-N 2 0 374.598 0.861 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758442 675968910 /nfs/dbraw/zinc/96/89/10/675968910.db2.gz JYTYXKUZYNPKNG-JKSUJKDBSA-N 2 0 359.536 0.749 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000903753626 675967738 /nfs/dbraw/zinc/96/77/38/675967738.db2.gz RMJCJCLNUKEJEF-HNNXBMFYSA-N 2 0 352.479 0.040 20 0 FCADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC000864797065 672210701 /nfs/dbraw/zinc/21/07/01/672210701.db2.gz RUUOPDBACDVVGQ-GOEBONIOSA-N 2 0 350.467 0.515 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000865942797 672257360 /nfs/dbraw/zinc/25/73/60/672257360.db2.gz CFSWBCHIRBTFRV-AAVRWANBSA-N 2 0 360.449 0.820 20 0 FCADRP C[NH+]1CC=C(CNC(=O)C(F)(F)C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000865969894 672258271 /nfs/dbraw/zinc/25/82/71/672258271.db2.gz JGDFJCLSMTZJRA-UHFFFAOYSA-N 2 0 356.417 0.378 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(C)(C)F)CC2)CC[N@@H+]1C ZINC001055583317 676025440 /nfs/dbraw/zinc/02/54/40/676025440.db2.gz ISOULCCMKRCEEP-UKRRQHHQSA-N 2 0 356.486 0.772 20 0 FCADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055633312 676028866 /nfs/dbraw/zinc/02/88/66/676028866.db2.gz JLGANTCJHXRXPT-DLBZAZTESA-N 2 0 350.507 0.681 20 0 FCADRP O=C([C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141325 672593837 /nfs/dbraw/zinc/59/38/37/672593837.db2.gz FSVKCSYDMPVVMW-DLBZAZTESA-N 2 0 351.491 0.716 20 0 FCADRP CNC(=O)[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162547 676051723 /nfs/dbraw/zinc/05/17/23/676051723.db2.gz YSKDKTPQNUNCDR-IIAWOOMASA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000877028172 672994771 /nfs/dbraw/zinc/99/47/71/672994771.db2.gz ZWKFFZYEYCKCBD-OAHLLOKOSA-N 2 0 352.504 0.592 20 0 FCADRP C[C@H]1C[NH+](CCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000880253443 673183586 /nfs/dbraw/zinc/18/35/86/673183586.db2.gz PSYAJZJLKKYOCF-IRXDYDNUSA-N 2 0 352.523 0.901 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000884502686 673457612 /nfs/dbraw/zinc/45/76/12/673457612.db2.gz QBGOYIVUDPCKDC-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)CCC1 ZINC000884529459 673460080 /nfs/dbraw/zinc/46/00/80/673460080.db2.gz OJHPSKYIVSLYQB-UHFFFAOYSA-N 2 0 351.476 0.087 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCC1 ZINC000884529730 673460112 /nfs/dbraw/zinc/46/01/12/673460112.db2.gz VCZLDZKSVNDIFV-WDEREUQCSA-N 2 0 350.385 0.183 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccsc1 ZINC000884559053 673462352 /nfs/dbraw/zinc/46/23/52/673462352.db2.gz LDRMUUOSIDQGLR-SOUVJXGZSA-N 2 0 350.488 0.820 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884577900 673463605 /nfs/dbraw/zinc/46/36/05/673463605.db2.gz OGHOASIVFYVTME-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884598100 673464840 /nfs/dbraw/zinc/46/48/40/673464840.db2.gz SSMKIDZMFZYCEK-HNNXBMFYSA-N 2 0 354.495 0.109 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612543 673466045 /nfs/dbraw/zinc/46/60/45/673466045.db2.gz NWDCEPATFIQTME-ZWKOTPCHSA-N 2 0 368.547 0.532 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612842 673466049 /nfs/dbraw/zinc/46/60/49/673466049.db2.gz VVBDJWNQEYEXEV-LOUJCGABSA-N 2 0 354.520 0.187 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000884623796 673466901 /nfs/dbraw/zinc/46/69/01/673466901.db2.gz OWVSJAUHLUHSBV-AUUYWEPGSA-N 2 0 350.507 0.977 20 0 FCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884638622 673468666 /nfs/dbraw/zinc/46/86/66/673468666.db2.gz DGKYFGXIPYYZGG-GASCZTMLSA-N 2 0 366.531 0.427 20 0 FCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000884638955 673468769 /nfs/dbraw/zinc/46/87/69/673468769.db2.gz MUSNEMUYKZQVPS-UONOGXRCSA-N 2 0 354.520 0.412 20 0 FCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884665483 673470617 /nfs/dbraw/zinc/47/06/17/673470617.db2.gz VXJLBKZZGJZWSY-WOPDTQHZSA-N 2 0 352.401 0.429 20 0 FCADRP CC(C)[NH+](CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000884669158 673471007 /nfs/dbraw/zinc/47/10/07/673471007.db2.gz NXXFDIXFRFXYLF-STQMWFEESA-N 2 0 366.428 0.817 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@H]21 ZINC000884708318 673475597 /nfs/dbraw/zinc/47/55/97/673475597.db2.gz UVZKTMGPVSMAKB-DOTOQJQBSA-N 2 0 350.507 0.968 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@H]21 ZINC000884708319 673475746 /nfs/dbraw/zinc/47/57/46/673475746.db2.gz UVZKTMGPVSMAKB-NVXWUHKLSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000884725925 673478019 /nfs/dbraw/zinc/47/80/19/673478019.db2.gz CJAWRUDHMRLALN-SVZJZCNZSA-N 2 0 350.507 0.870 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[NH2+]C1 ZINC000884885282 673489001 /nfs/dbraw/zinc/48/90/01/673489001.db2.gz YPQLXTDJCIEAKF-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884921731 673491464 /nfs/dbraw/zinc/49/14/64/673491464.db2.gz DQHHCXFSDQLEON-SHTZXODSSA-N 2 0 350.463 0.804 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000884976573 673495299 /nfs/dbraw/zinc/49/52/99/673495299.db2.gz UIXKMMAVWXQZAD-INIZCTEOSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000884986523 673496142 /nfs/dbraw/zinc/49/61/42/673496142.db2.gz SCHCPRMRBQTJMV-KOCGSPDRSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000885144457 673505640 /nfs/dbraw/zinc/50/56/40/673505640.db2.gz IFSGVNPQGTZGSM-OAHLLOKOSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885206975 673508236 /nfs/dbraw/zinc/50/82/36/673508236.db2.gz TVFDQERMDYDDLX-UHFFFAOYSA-N 2 0 352.454 0.960 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276509 673511445 /nfs/dbraw/zinc/51/14/45/673511445.db2.gz SRMPJESLPNYANX-HZSPNIEDSA-N 2 0 358.433 0.290 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285337 673512170 /nfs/dbraw/zinc/51/21/70/673512170.db2.gz OYIHRMGKHHZRDU-ZDUSSCGKSA-N 2 0 360.449 0.680 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285564 673512219 /nfs/dbraw/zinc/51/22/19/673512219.db2.gz QXHNSZCTSZMVRF-KBPBESRZSA-N 2 0 360.449 0.442 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285765 673512268 /nfs/dbraw/zinc/51/22/68/673512268.db2.gz SSCXGTQYRHEEQV-ZIAGYGMSSA-N 2 0 360.449 0.538 20 0 FCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885291521 673513131 /nfs/dbraw/zinc/51/31/31/673513131.db2.gz OVDSATPWGKQNOE-KGLIPLIRSA-N 2 0 360.449 0.680 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000887079425 673620499 /nfs/dbraw/zinc/62/04/99/673620499.db2.gz RDNDBNDOLIXEQS-IBGZPJMESA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887082888 673621049 /nfs/dbraw/zinc/62/10/49/673621049.db2.gz JPPNUPDNDGMAGR-APWZRJJASA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749502 673684884 /nfs/dbraw/zinc/68/48/84/673684884.db2.gz IGPXJNRRCNHWLW-QZTJIDSGSA-N 2 0 352.523 0.460 20 0 FCADRP C[C@H]1C[N@H+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741186 673762372 /nfs/dbraw/zinc/76/23/72/673762372.db2.gz GJABVUTYYNQTNS-HOTGVXAUSA-N 2 0 352.479 0.894 20 0 FCADRP C[NH+]1CCN(C(C)(C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925279210 673785787 /nfs/dbraw/zinc/78/57/87/673785787.db2.gz LZVQDSDEIDATSS-OAHLLOKOSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925708626 673798962 /nfs/dbraw/zinc/79/89/62/673798962.db2.gz RXFPBYIFEFVHIZ-ZDUSSCGKSA-N 2 0 351.472 0.858 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001007377602 675288584 /nfs/dbraw/zinc/28/85/84/675288584.db2.gz WXWOKUXXHGRQLC-IXDOHACOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)CC[N@@H+]1C ZINC001008206997 675311013 /nfs/dbraw/zinc/31/10/13/675311013.db2.gz GTNJHPNMDLVUIW-OAGGEKHMSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC[N@@H+]1C ZINC001011211585 675377218 /nfs/dbraw/zinc/37/72/18/675377218.db2.gz BFYFMULXVYTWPX-GVDBMIGSSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001018865112 675417774 /nfs/dbraw/zinc/41/77/74/675417774.db2.gz DGAJNPDBARACIM-VNQPRFMTSA-N 2 0 357.520 0.342 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)CC[N@@H+]1C ZINC001040211147 675459969 /nfs/dbraw/zinc/45/99/69/675459969.db2.gz ULEDLZLEBHDJSS-MDZRGWNJSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NC)CC3)CC[N@@H+]1C ZINC001040705044 675469198 /nfs/dbraw/zinc/46/91/98/675469198.db2.gz BIIXWULKKIWKQW-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001045443528 675653816 /nfs/dbraw/zinc/65/38/16/675653816.db2.gz QNBICQQXGSUWEU-HUUCEWRRSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001045445151 675654128 /nfs/dbraw/zinc/65/41/28/675654128.db2.gz VRMSHVFCEACPDP-MCIONIFRSA-N 2 0 350.463 0.103 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001046331025 675709109 /nfs/dbraw/zinc/70/91/09/675709109.db2.gz ZWEIBEMASUBJCA-FRQCXROJSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(NCCC[NH+]1CCC(O)CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900757352 675714015 /nfs/dbraw/zinc/71/40/15/675714015.db2.gz ZGAWVAXDZFCLAT-UHFFFAOYSA-N 2 0 353.507 0.840 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241559 1168857402 /nfs/dbraw/zinc/85/74/02/1168857402.db2.gz IITUXQQZAJVHDW-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@H](NC(=O)C[NH3+])c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001212019402 1192334752 /nfs/dbraw/zinc/33/47/52/1192334752.db2.gz OIFVWXPEDMBJCZ-ZDUSSCGKSA-N 2 0 358.446 0.620 20 0 FCADRP COc1ncccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001482769327 1192382205 /nfs/dbraw/zinc/38/22/05/1192382205.db2.gz HVETXZCPNFGDJA-RRFJBIMHSA-N 2 0 359.430 0.194 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001021703960 1169898719 /nfs/dbraw/zinc/89/87/19/1169898719.db2.gz KOWMBDJGCVLUTB-RCCFBDPRSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001021707221 1169902716 /nfs/dbraw/zinc/90/27/16/1169902716.db2.gz HRYTYXLEPYXWDE-DLBZAZTESA-N 2 0 360.502 0.770 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001021712002 1169913771 /nfs/dbraw/zinc/91/37/71/1169913771.db2.gz IIDBRMIDBVDKFF-BHYGNILZSA-N 2 0 359.474 0.735 20 0 FCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891354247 1170008428 /nfs/dbraw/zinc/00/84/28/1170008428.db2.gz NBUJQQPZHHIPKA-OALUTQOASA-N 2 0 357.502 0.950 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC001021803133 1170078589 /nfs/dbraw/zinc/07/85/89/1170078589.db2.gz RZFCXQMPXINBQY-YYIAUSFCSA-N 2 0 362.518 0.870 20 0 FCADRP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221304 1170595586 /nfs/dbraw/zinc/59/55/86/1170595586.db2.gz VELCGKNFUNXEKF-BHYGNILZSA-N 2 0 365.478 0.005 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211525 1170753433 /nfs/dbraw/zinc/75/34/33/1170753433.db2.gz SCQXFXJXDZLLAO-XYJFISCASA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@@H+]1C1CC1 ZINC000891662501 1170801828 /nfs/dbraw/zinc/80/18/28/1170801828.db2.gz YCNWPNVGMDQGGF-IPQWEPCOSA-N 2 0 363.462 0.188 20 0 FCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891674415 1170805640 /nfs/dbraw/zinc/80/56/40/1170805640.db2.gz XVKBFACMLHTWBD-QXSJWSMHSA-N 2 0 365.478 0.437 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891674414 1170805837 /nfs/dbraw/zinc/80/58/37/1170805837.db2.gz XVKBFACMLHTWBD-JONQDZQNSA-N 2 0 365.478 0.437 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1 ZINC001022251050 1170806159 /nfs/dbraw/zinc/80/61/59/1170806159.db2.gz BCKWCSWNYFQJIU-IXDOHACOSA-N 2 0 359.474 0.674 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001691234391 1170876817 /nfs/dbraw/zinc/87/68/17/1170876817.db2.gz XKZLJWCRDUAQHP-JKSUJKDBSA-N 2 0 368.522 0.355 20 0 FCADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001691249095 1170885707 /nfs/dbraw/zinc/88/57/07/1170885707.db2.gz DMGXKHUCMYVVDB-HRCADAONSA-N 2 0 354.495 0.060 20 0 FCADRP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)COC3CC[NH+](C)CC3)C2)[nH]1 ZINC001691258480 1170914129 /nfs/dbraw/zinc/91/41/29/1170914129.db2.gz BVAMUVFKRZONPO-LSDHHAIUSA-N 2 0 364.494 0.598 20 0 FCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891902688 1171061595 /nfs/dbraw/zinc/06/15/95/1171061595.db2.gz WDQGARCBKXJLRD-JJXSEGSLSA-N 2 0 367.494 0.683 20 0 FCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909932 1171066236 /nfs/dbraw/zinc/06/62/36/1171066236.db2.gz OMYAAILHMDVNRZ-QXSJWSMHSA-N 2 0 367.494 0.683 20 0 FCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001691382470 1171244455 /nfs/dbraw/zinc/24/44/55/1171244455.db2.gz VNRSBSRBEMQNNF-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000891971085 1171361511 /nfs/dbraw/zinc/36/15/11/1171361511.db2.gz QSEOSXCBHPPBHQ-WBVHZDCISA-N 2 0 365.522 0.747 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CCc1nccn1C ZINC000988776042 1192468590 /nfs/dbraw/zinc/46/85/90/1192468590.db2.gz PMBUQUVLKQVWLO-ZBFHGGJFSA-N 2 0 361.490 0.800 20 0 FCADRP C[C@@]1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060896 1171540375 /nfs/dbraw/zinc/54/03/75/1171540375.db2.gz VNMHOLXDLLZAMS-IEBWSBKVSA-N 2 0 367.538 0.472 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001104409189 1171804878 /nfs/dbraw/zinc/80/48/78/1171804878.db2.gz WGRGYGPVKZXYGW-QLFBSQMISA-N 2 0 370.457 0.829 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022717963 1171806757 /nfs/dbraw/zinc/80/67/57/1171806757.db2.gz PSHBJUSLAZTMKE-IXDOHACOSA-N 2 0 360.502 0.626 20 0 FCADRP O=C(N1CCO[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249426 1172022182 /nfs/dbraw/zinc/02/21/82/1172022182.db2.gz DUYXCYGBVCNRNV-FGTMMUONSA-N 2 0 363.502 0.811 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557237 1172067284 /nfs/dbraw/zinc/06/72/84/1172067284.db2.gz INDLWBQOTHSFDW-RCCFBDPRSA-N 2 0 358.486 0.801 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000989116987 1192688912 /nfs/dbraw/zinc/68/89/12/1192688912.db2.gz CIIIWRRERYWSIX-COXVUDFISA-N 2 0 371.441 0.384 20 0 FCADRP CN(C(=O)CC(O)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000537227323 1192788644 /nfs/dbraw/zinc/78/86/44/1192788644.db2.gz AEPYMXAGQCXCOF-HOTGVXAUSA-N 2 0 368.522 0.233 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897560372 1192810266 /nfs/dbraw/zinc/81/02/66/1192810266.db2.gz SABNTBVMFSHRHE-CABCVRRESA-N 2 0 357.458 0.472 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897632233 1192838068 /nfs/dbraw/zinc/83/80/68/1192838068.db2.gz MKENGGFKYCSVGJ-JKSUJKDBSA-N 2 0 361.490 0.965 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892327417 1178874880 /nfs/dbraw/zinc/87/48/80/1178874880.db2.gz KIJBZRIUAFSICD-UHFFFAOYSA-N 2 0 361.490 0.494 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001112516492 1179624382 /nfs/dbraw/zinc/62/43/82/1179624382.db2.gz MRYIHEUKBGJRHI-JPLJXNOCSA-N 2 0 367.534 0.944 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001023444890 1179748257 /nfs/dbraw/zinc/74/82/57/1179748257.db2.gz ZLJGAWBHDUMXSH-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)[NH2+]C1 ZINC000892379197 1180006699 /nfs/dbraw/zinc/00/66/99/1180006699.db2.gz YDSWUZUWVQVXCJ-TUVASFSCSA-N 2 0 365.478 0.341 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001023993580 1180731186 /nfs/dbraw/zinc/73/11/86/1180731186.db2.gz JDEIFBQJSIJVPT-BZUAXINKSA-N 2 0 366.485 0.916 20 0 FCADRP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518497 1180836039 /nfs/dbraw/zinc/83/60/39/1180836039.db2.gz MGFKPSGFCQXWGX-KXBFYZLASA-N 2 0 360.506 0.875 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112519214 1180852155 /nfs/dbraw/zinc/85/21/55/1180852155.db2.gz ZLMJJYKBLBSZOJ-KHYOSLBOSA-N 2 0 364.490 0.352 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892452580 1181041761 /nfs/dbraw/zinc/04/17/61/1181041761.db2.gz QEVNFJNXEAQGJS-LRYGQEGESA-N 2 0 365.522 0.448 20 0 FCADRP Cc1nccnc1CN1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024506443 1181260864 /nfs/dbraw/zinc/26/08/64/1181260864.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 0 361.490 0.975 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024864110 1181703919 /nfs/dbraw/zinc/70/39/19/1181703919.db2.gz NBWASZIFIVJMFZ-KBRIMQKVSA-N 2 0 371.441 0.120 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001024967681 1181811056 /nfs/dbraw/zinc/81/10/56/1181811056.db2.gz CMFOMTOOZWMDEF-QLFBSQMISA-N 2 0 364.494 0.309 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001988 1181847717 /nfs/dbraw/zinc/84/77/17/1181847717.db2.gz WUOAMZIOMVNJSX-ARFHVFGLSA-N 2 0 366.506 0.033 20 0 FCADRP C[C@@]1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCNC1=O ZINC000892545823 1181852766 /nfs/dbraw/zinc/85/27/66/1181852766.db2.gz ZAZRWGVAVHULBO-GOSISDBHSA-N 2 0 360.462 0.172 20 0 FCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573303 1181878897 /nfs/dbraw/zinc/87/88/97/1181878897.db2.gz JVSZMTKNLYCLNR-ULQDDVLXSA-N 2 0 361.490 0.312 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000892650823 1182003599 /nfs/dbraw/zinc/00/35/99/1182003599.db2.gz QZBWYAUQXIGXDX-ZACQAIPSSA-N 2 0 365.522 0.807 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001104665870 1182352414 /nfs/dbraw/zinc/35/24/14/1182352414.db2.gz GOLZVSHXFUXCFQ-RBSFLKMASA-N 2 0 369.510 0.376 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@H]2[NH3+])cn1 ZINC000892755967 1182479888 /nfs/dbraw/zinc/47/98/88/1182479888.db2.gz LZHYHZWGAVBNCZ-OWCLPIDISA-N 2 0 362.478 0.015 20 0 FCADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777470 1182497852 /nfs/dbraw/zinc/49/78/52/1182497852.db2.gz JVFMNUCTFSGWEE-QGZVFWFLSA-N 2 0 368.522 0.633 20 0 FCADRP CNc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000549176458 1182527580 /nfs/dbraw/zinc/52/75/80/1182527580.db2.gz NNCBLVZACTWCBY-GJZGRUSLSA-N 2 0 362.526 0.111 20 0 FCADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523026 1182626708 /nfs/dbraw/zinc/62/67/08/1182626708.db2.gz YPYSDQJJDVTDTM-GLJUWKHASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001025684483 1182685356 /nfs/dbraw/zinc/68/53/56/1182685356.db2.gz KCOGISATXPHXGR-KBRIMQKVSA-N 2 0 371.441 0.120 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001104809320 1182929128 /nfs/dbraw/zinc/92/91/28/1182929128.db2.gz DNUALEHDNATNLJ-HUUCEWRRSA-N 2 0 363.510 0.924 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104812170 1182932240 /nfs/dbraw/zinc/93/22/40/1182932240.db2.gz MRICFHCSGCNCKK-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]Cc1cnon1 ZINC001104848445 1182954807 /nfs/dbraw/zinc/95/48/07/1182954807.db2.gz ILUUBHSBGRLOKF-HUUCEWRRSA-N 2 0 365.478 0.755 20 0 FCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104907960 1182990201 /nfs/dbraw/zinc/99/02/01/1182990201.db2.gz BWGYVBRQQKNCAJ-IAGOWNOFSA-N 2 0 370.538 0.411 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1 ZINC001104937536 1183011076 /nfs/dbraw/zinc/01/10/76/1183011076.db2.gz CYVSVGJVECJRJZ-HUUCEWRRSA-N 2 0 369.510 0.248 20 0 FCADRP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010595 1183067512 /nfs/dbraw/zinc/06/75/12/1183067512.db2.gz RMHWOVXLZHHWFM-BZUAXINKSA-N 2 0 363.510 0.609 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578243 1183349615 /nfs/dbraw/zinc/34/96/15/1183349615.db2.gz XRSOTTVDHMGNRL-JFIYKMOQSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974597504 1183375336 /nfs/dbraw/zinc/37/53/36/1183375336.db2.gz FMXHENTWTSSAIA-XHSDSOJGSA-N 2 0 365.522 0.569 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)[C@@H](c2ccccc2)C1 ZINC000975083780 1183705991 /nfs/dbraw/zinc/70/59/91/1183705991.db2.gz ZVHUUWSAVRDLBQ-IKGGRYGDSA-N 2 0 358.486 0.644 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000975222834 1183765058 /nfs/dbraw/zinc/76/50/58/1183765058.db2.gz LUCSEJMREIQKEV-BRWVUGGUSA-N 2 0 360.502 0.483 20 0 FCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592547191 1185662463 /nfs/dbraw/zinc/66/24/63/1185662463.db2.gz SKRWFLQMEAHABA-UONOGXRCSA-N 2 0 362.478 0.179 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765690 1185705480 /nfs/dbraw/zinc/70/54/80/1185705480.db2.gz RLVUBLJRBYMCPI-BQFCYCMXSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760538 1185731573 /nfs/dbraw/zinc/73/15/73/1185731573.db2.gz KMHPGNHRERHXJV-ULQDDVLXSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000975816053 1185809349 /nfs/dbraw/zinc/80/93/49/1185809349.db2.gz KUYCHBSQLFSGSK-SQNIBIBYSA-N 2 0 362.518 0.873 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975821831 1185819096 /nfs/dbraw/zinc/81/90/96/1185819096.db2.gz LATLANMTSPLISY-IRXDYDNUSA-N 2 0 360.502 0.627 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976503673 1185963069 /nfs/dbraw/zinc/96/30/69/1185963069.db2.gz AOLMNJKSSNJUSI-ZXLDYLNASA-N 2 0 362.518 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC000979034157 1186047924 /nfs/dbraw/zinc/04/79/24/1186047924.db2.gz OLJOAYCCRWREBY-WCXIOVBPSA-N 2 0 362.518 0.966 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112529712 1186089443 /nfs/dbraw/zinc/08/94/43/1186089443.db2.gz LRQYNFXSLCWYQP-FTRWYGJKSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112529734 1186090405 /nfs/dbraw/zinc/09/04/05/1186090405.db2.gz MMIMYARMFHMKRQ-FTRWYGJKSA-N 2 0 362.518 0.825 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N(C)C2CC2)C3)CC[N@@H+]1C ZINC000981776661 1186517806 /nfs/dbraw/zinc/51/78/06/1186517806.db2.gz VBJHDUDUYSBSRI-NVXWUHKLSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613930 1186653677 /nfs/dbraw/zinc/65/36/77/1186653677.db2.gz VLWZGUPIFMMMTE-OKZBNKHCSA-N 2 0 356.470 0.912 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211713608 1186699356 /nfs/dbraw/zinc/69/93/56/1186699356.db2.gz RKNMLXFDJFNATG-OKZBNKHCSA-N 2 0 358.486 0.801 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211732532 1187520338 /nfs/dbraw/zinc/52/03/38/1187520338.db2.gz MOQQEEVVTZTASK-RCCFBDPRSA-N 2 0 358.486 0.799 20 0 FCADRP COc1coc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549363 1187601365 /nfs/dbraw/zinc/60/13/65/1187601365.db2.gz PJWWFLCMMLBDLM-IJEWVQPXSA-N 2 0 363.458 0.927 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001028553014 1187604808 /nfs/dbraw/zinc/60/48/08/1187604808.db2.gz YSZJNNHULJYZAP-CWRNSKLLSA-N 2 0 361.494 0.676 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000982827819 1187742001 /nfs/dbraw/zinc/74/20/01/1187742001.db2.gz NWMNRXOHANJAEX-YESZJQIVSA-N 2 0 362.518 0.777 20 0 FCADRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])CCCNC(=O)OCc3ccccc3)C2)C1 ZINC001269929933 1187940355 /nfs/dbraw/zinc/94/03/55/1187940355.db2.gz CFDZPIWNJUJAKH-INIZCTEOSA-N 2 0 360.458 0.794 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCn2ccnc2)CC1 ZINC001270155611 1188033246 /nfs/dbraw/zinc/03/32/46/1188033246.db2.gz PSJJVQHRPRQTSC-CVEARBPZSA-N 2 0 359.474 0.722 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C[N@H+](C)C3CCCC3)C2)OCC1=O ZINC001270165634 1188037065 /nfs/dbraw/zinc/03/70/65/1188037065.db2.gz KBXUMHBAQWJIRZ-IBGZPJMESA-N 2 0 366.506 0.252 20 0 FCADRP C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2ccnc2)C1 ZINC001270332349 1188099859 /nfs/dbraw/zinc/09/98/59/1188099859.db2.gz IKLGLXWXCCOPMT-BRWVUGGUSA-N 2 0 359.474 0.817 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1=O ZINC001270710182 1188277853 /nfs/dbraw/zinc/27/78/53/1188277853.db2.gz AVIBLRZEHAZTNF-IBGZPJMESA-N 2 0 355.442 0.961 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550349415 1188341329 /nfs/dbraw/zinc/34/13/29/1188341329.db2.gz PJHKBNAZZRMLQF-UHFFFAOYSA-N 3 0 369.554 0.319 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528997 1189383694 /nfs/dbraw/zinc/38/36/94/1189383694.db2.gz LICMCQWMVFLFKN-GVDBMIGSSA-N 2 0 362.474 0.185 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1Cc1cccnc1OC ZINC001087529893 1189385424 /nfs/dbraw/zinc/38/54/24/1189385424.db2.gz YDJAFXJKKRTDDQ-BBWFWOEESA-N 2 0 362.474 0.890 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)CC[NH+]3CCCC3)C2)C1=O ZINC001271061375 1189547287 /nfs/dbraw/zinc/54/72/87/1189547287.db2.gz MPBMXIHDHNMIEB-IBGZPJMESA-N 2 0 364.490 0.402 20 0 FCADRP C[NH+](C)C[C@H]1CCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840002505 1189807162 /nfs/dbraw/zinc/80/71/62/1189807162.db2.gz DLVNYGJDXYBYEO-QRVBRYPASA-N 2 0 370.497 0.944 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087797701 1189827913 /nfs/dbraw/zinc/82/79/13/1189827913.db2.gz DZCQUAVDVIFDQW-IXDOHACOSA-N 2 0 361.490 0.309 20 0 FCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909100 1189895394 /nfs/dbraw/zinc/89/53/94/1189895394.db2.gz YOXBATBNRBOZJJ-IKGGRYGDSA-N 2 0 360.506 0.981 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)c1 ZINC000896178982 1189997389 /nfs/dbraw/zinc/99/73/89/1189997389.db2.gz XBCTZZHMQOGVBL-UHFFFAOYSA-N 2 0 360.458 0.850 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]2C1 ZINC001087964301 1190010578 /nfs/dbraw/zinc/01/05/78/1190010578.db2.gz GAWRSLXPPZLXBV-IXDOHACOSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467435 1190062593 /nfs/dbraw/zinc/06/25/93/1190062593.db2.gz DGOIWCWVXOQYBR-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896748648 1190121340 /nfs/dbraw/zinc/12/13/40/1190121340.db2.gz KPDQJDYWUZNGGC-BZSNNMDCSA-N 2 0 366.506 0.480 20 0 FCADRP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001087992381 1190142435 /nfs/dbraw/zinc/14/24/35/1190142435.db2.gz RMKGBWZXRIJGIQ-AOIWGVFYSA-N 2 0 365.518 0.793 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992640 1190144224 /nfs/dbraw/zinc/14/42/24/1190144224.db2.gz DLOXDHZGZLAZIY-IKGGRYGDSA-N 2 0 362.518 0.872 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088019931 1190237132 /nfs/dbraw/zinc/23/71/32/1190237132.db2.gz MXZSSJTWOBNBFR-ZNMIVQPWSA-N 2 0 355.442 0.910 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC1 ZINC001088130363 1190631870 /nfs/dbraw/zinc/63/18/70/1190631870.db2.gz KTDQIVHTFDWNGZ-SJORKVTESA-N 2 0 362.518 0.777 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)C1CCC1 ZINC000986130715 1190901010 /nfs/dbraw/zinc/90/10/10/1190901010.db2.gz KQRSPNOGXLQLRE-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986191815 1190917536 /nfs/dbraw/zinc/91/75/36/1190917536.db2.gz YVCGPAWWIBYXLZ-WCXIOVBPSA-N 2 0 373.501 0.908 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)C1CC1 ZINC000986260576 1190936310 /nfs/dbraw/zinc/93/63/10/1190936310.db2.gz TVSXPXFWBVYSQU-AOIWGVFYSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000760170662 1191042641 /nfs/dbraw/zinc/04/26/41/1191042641.db2.gz LYFXABZIGKUPHR-QGZVFWFLSA-N 2 0 368.522 0.728 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000151814081 1191197738 /nfs/dbraw/zinc/19/77/38/1191197738.db2.gz LDCZTWDHTSUXIZ-QGZVFWFLSA-N 2 0 367.538 0.912 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532618291 1191200401 /nfs/dbraw/zinc/20/04/01/1191200401.db2.gz MRXRLQODQPPAQX-QZTJIDSGSA-N 2 0 368.522 0.774 20 0 FCADRP CCN(C)C(=O)CN1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001218128742 1224141595 /nfs/dbraw/zinc/14/15/95/1224141595.db2.gz AECDGGOYYDALHD-IXDOHACOSA-N 2 0 366.506 0.251 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1CC2(C1)CCC[NH2+]C2 ZINC001218254266 1224150153 /nfs/dbraw/zinc/15/01/53/1224150153.db2.gz XGQZKHJBLRREBJ-UHFFFAOYSA-N 2 0 364.446 0.672 20 0 FCADRP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218208222 1224147240 /nfs/dbraw/zinc/14/72/40/1224147240.db2.gz VGXNKYANQQSQMS-ZWKOTPCHSA-N 2 0 362.474 0.856 20 0 FCADRP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584196 1193740383 /nfs/dbraw/zinc/74/03/83/1193740383.db2.gz AIOHNWDRCCDDCJ-CVEARBPZSA-N 2 0 357.520 0.297 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3CCC([NH+](C)C)CC3)CC[C@@H]2C1 ZINC001168322869 1193757534 /nfs/dbraw/zinc/75/75/34/1193757534.db2.gz ZAAMKGVKTNCWQH-LWSMDNFKSA-N 3 0 366.550 0.970 20 0 FCADRP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465410 1193761999 /nfs/dbraw/zinc/76/19/99/1193761999.db2.gz CTONWBQLNSOTIA-OTWHNJEPSA-N 2 0 359.470 0.182 20 0 FCADRP O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218511127 1224166476 /nfs/dbraw/zinc/16/64/76/1224166476.db2.gz QVWRWJXLPHFXPY-OAHLLOKOSA-N 2 0 373.457 0.367 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001691620555 1193807764 /nfs/dbraw/zinc/80/77/64/1193807764.db2.gz HSDPQFJKKJIVQQ-YHUYYLMFSA-N 2 0 359.536 0.636 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218535661 1224169474 /nfs/dbraw/zinc/16/94/74/1224169474.db2.gz ZDBAPYRPCHPPAK-OCCSQVGLSA-N 2 0 373.482 0.584 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691623879 1193816348 /nfs/dbraw/zinc/81/63/48/1193816348.db2.gz NCZTUDSQHVOLAS-LSDHHAIUSA-N 2 0 364.494 0.791 20 0 FCADRP CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000551068902 1193831021 /nfs/dbraw/zinc/83/10/21/1193831021.db2.gz BFKIWIOTGYRTMT-KRWDZBQOSA-N 2 0 368.522 0.546 20 0 FCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218558148 1224173067 /nfs/dbraw/zinc/17/30/67/1224173067.db2.gz VNRUXFAKNISDTK-YESZJQIVSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001083469611 1193865638 /nfs/dbraw/zinc/86/56/38/1193865638.db2.gz AFHIAXRKAXSXLJ-YRXWBPOGSA-N 2 0 365.518 0.695 20 0 FCADRP Cc1ccn2cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc2c1 ZINC000551638079 1193866060 /nfs/dbraw/zinc/86/60/60/1193866060.db2.gz CQPGRMTXQLDOTE-UHFFFAOYSA-N 2 0 374.489 0.211 20 0 FCADRP Nc1cccc(-c2cccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)n2)n1 ZINC001218562522 1224174341 /nfs/dbraw/zinc/17/43/41/1224174341.db2.gz UUHCNXHDWJZYMA-ZDUSSCGKSA-N 2 0 355.446 0.415 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472557 1193903770 /nfs/dbraw/zinc/90/37/70/1193903770.db2.gz DMTOCBRAAOPXDJ-AXUOBQJMSA-N 2 0 360.502 0.754 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000552364832 1193926321 /nfs/dbraw/zinc/92/63/21/1193926321.db2.gz FBCIOUCAHKUIMB-KRWDZBQOSA-N 3 0 369.554 0.175 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667274 1193929087 /nfs/dbraw/zinc/92/90/87/1193929087.db2.gz AFEMMLHNZIMQMK-RWQQGDIJSA-N 2 0 364.490 0.540 20 0 FCADRP Cc1nccn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667272 1193929299 /nfs/dbraw/zinc/92/92/99/1193929299.db2.gz AFEMMLHNZIMQMK-FPAYPSAMSA-N 2 0 364.490 0.540 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603190 1224180289 /nfs/dbraw/zinc/18/02/89/1224180289.db2.gz MMKQWQXMHDFXRB-OAHLLOKOSA-N 2 0 356.430 0.538 20 0 FCADRP COc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000553152683 1193976080 /nfs/dbraw/zinc/97/60/80/1193976080.db2.gz CWYBTORSCPVJJA-GJZGRUSLSA-N 2 0 363.510 0.231 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(OCc2cccnc2)n[nH]1 ZINC001218612123 1224182533 /nfs/dbraw/zinc/18/25/33/1224182533.db2.gz MVSKQOYQVBTVIJ-CQSZACIVSA-N 2 0 359.434 0.073 20 0 FCADRP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ccn2)c1 ZINC001218622482 1224182996 /nfs/dbraw/zinc/18/29/96/1224182996.db2.gz XPIVGAWOTPRJSE-CQSZACIVSA-N 2 0 370.413 0.192 20 0 FCADRP Nc1cn(C(=O)c2cccc(C[NH3+])c2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619190 1224183138 /nfs/dbraw/zinc/18/31/38/1224183138.db2.gz AUALDYOJDAKFCH-UHFFFAOYSA-N 2 0 355.442 0.450 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1CC1CC1 ZINC001218627623 1224185847 /nfs/dbraw/zinc/18/58/47/1224185847.db2.gz GUJRMJTZVYQRAS-GJZGRUSLSA-N 2 0 362.478 0.679 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000553735200 1194018718 /nfs/dbraw/zinc/01/87/18/1194018718.db2.gz QSQULYPCYSZQKP-KRWDZBQOSA-N 2 0 368.522 0.402 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1c[nH]c2cccnc12 ZINC001218640953 1224188089 /nfs/dbraw/zinc/18/80/89/1224188089.db2.gz RFNVLVGUVCQDBG-WFASDCNBSA-N 2 0 358.446 0.949 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000842188413 1194084874 /nfs/dbraw/zinc/08/48/74/1194084874.db2.gz FOLQBLSYJJKGOX-OXQOHEQNSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842187765 1194086340 /nfs/dbraw/zinc/08/63/40/1194086340.db2.gz ADGVSRCQXZJALO-YLJYHZDGSA-N 2 0 374.485 0.201 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842229316 1194108938 /nfs/dbraw/zinc/10/89/38/1194108938.db2.gz FKXPOVUHZPLQBC-MSOLQXFVSA-N 2 0 358.486 0.889 20 0 FCADRP [NH3+]Cc1cncc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC001218704942 1224200145 /nfs/dbraw/zinc/20/01/45/1224200145.db2.gz FSCSBLSGWOOZPT-ROUUACIJSA-N 2 0 367.453 0.958 20 0 FCADRP C[NH+](C)CCNC(=O)C[C@]1(C(=O)NCC[NH+](C)C)CCc2ccccc21 ZINC000899919570 1194221579 /nfs/dbraw/zinc/22/15/79/1194221579.db2.gz AOGCHTMNLVOCGZ-HXUWFJFHSA-N 2 0 360.502 0.616 20 0 FCADRP Cc1cncn1CC(=O)N1CC[C@H]2CN(Cc3noc4c3COCC4)C[C@H]21 ZINC001076049572 1194267004 /nfs/dbraw/zinc/26/70/04/1194267004.db2.gz HIPKAPZOTBBBLO-WMLDXEAASA-N 2 0 371.441 0.985 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076047025 1194273007 /nfs/dbraw/zinc/27/30/07/1194273007.db2.gz YNJCFWIUIAGABA-VBNZEHGJSA-N 2 0 367.409 0.286 20 0 FCADRP Cn1ccnc1CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076081591 1194301599 /nfs/dbraw/zinc/30/15/99/1194301599.db2.gz ZEJBYXKOZJHUHX-JKSUJKDBSA-N 2 0 359.474 0.508 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691627270 1194325222 /nfs/dbraw/zinc/32/52/22/1194325222.db2.gz ZQFYPQZCAUMTAG-PMUMKWKESA-N 2 0 356.486 0.819 20 0 FCADRP COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794308 1224208386 /nfs/dbraw/zinc/20/83/86/1224208386.db2.gz HAEGRXKUGDBFTG-ZJIFWQFVSA-N 2 0 369.506 0.610 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1 ZINC001218737103 1224208497 /nfs/dbraw/zinc/20/84/97/1224208497.db2.gz QJOMDLPNFXYZJU-AWEZNQCLSA-N 2 0 355.402 0.855 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N2CC[C@H]3CN(Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174417 1194337620 /nfs/dbraw/zinc/33/76/20/1194337620.db2.gz LCGHPVOMVDGCJL-JQHSSLGASA-N 2 0 361.490 0.562 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001076203879 1194352788 /nfs/dbraw/zinc/35/27/88/1194352788.db2.gz HRTCWRJOHRNOTR-RCCFBDPRSA-N 2 0 361.490 0.119 20 0 FCADRP CC(C)(C)c1cnn2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cnc12 ZINC001218747992 1224211690 /nfs/dbraw/zinc/21/16/90/1224211690.db2.gz JPXXQNZQSYRTOR-OAHLLOKOSA-N 2 0 359.478 0.716 20 0 FCADRP Cc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n(CC2CCOCC2)n1 ZINC001218754831 1224213301 /nfs/dbraw/zinc/21/33/01/1224213301.db2.gz ZIPFZTHUOMMXRU-INIZCTEOSA-N 2 0 364.494 0.307 20 0 FCADRP CC(C)OC(=O)CN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794859 1224214703 /nfs/dbraw/zinc/21/47/03/1224214703.db2.gz SVLCSRVYLAMIHE-BEFAXECRSA-N 2 0 369.506 0.611 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076418981 1194467345 /nfs/dbraw/zinc/46/73/45/1194467345.db2.gz ZLHKFJZFHXYDSG-OKZBNKHCSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462366 1194507818 /nfs/dbraw/zinc/50/78/18/1194507818.db2.gz RSAVGPAAHLTQDE-OKZBNKHCSA-N 2 0 360.506 0.769 20 0 FCADRP O=C(Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n[nH]1)c1ccccc1 ZINC001218792439 1224221521 /nfs/dbraw/zinc/22/15/21/1224221521.db2.gz LBQCKPHJUVPGFJ-FZKQIMNGSA-N 2 0 354.414 0.368 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1CCO ZINC001218792830 1224222621 /nfs/dbraw/zinc/22/26/21/1224222621.db2.gz PPGKTMXBBDUPLM-GJZGRUSLSA-N 2 0 363.462 0.002 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504678 1194528972 /nfs/dbraw/zinc/52/89/72/1194528972.db2.gz LWTKUHDBHUGGBM-BHYGNILZSA-N 2 0 359.474 0.803 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)cc2)CC1 ZINC001218845631 1224239338 /nfs/dbraw/zinc/23/93/38/1224239338.db2.gz FWUWEOOQDSPING-XLIONFOSSA-N 2 0 357.502 0.714 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)cc2)CC1 ZINC001218845862 1224239611 /nfs/dbraw/zinc/23/96/11/1224239611.db2.gz LFXHBMQTCFJFML-YTQUADARSA-N 2 0 357.502 0.713 20 0 FCADRP Cc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccc1N1CCOCC1 ZINC001218874973 1224244461 /nfs/dbraw/zinc/24/44/61/1224244461.db2.gz OCOOBHWDYBHUBF-QGZVFWFLSA-N 2 0 361.490 0.521 20 0 FCADRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872884 1224244697 /nfs/dbraw/zinc/24/46/97/1224244697.db2.gz CDDHOVDAHUQVMI-SFHVURJKSA-N 2 0 372.473 0.043 20 0 FCADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001218880467 1224246251 /nfs/dbraw/zinc/24/62/51/1224246251.db2.gz YFYYDLWGYUTWNX-QRWLVFNGSA-N 2 0 372.469 0.829 20 0 FCADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218935279 1224264973 /nfs/dbraw/zinc/26/49/73/1224264973.db2.gz CIVVFONGEFCVKX-QGZVFWFLSA-N 2 0 366.469 0.856 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563446 1195222997 /nfs/dbraw/zinc/22/29/97/1195222997.db2.gz QDDAQLXBMWSHJI-KSZLIROESA-N 2 0 365.518 0.983 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127873 1195242852 /nfs/dbraw/zinc/24/28/52/1195242852.db2.gz NBPNOEBZYRCDBO-IPMKNSEASA-N 2 0 367.534 0.942 20 0 FCADRP CC[C@]1(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2)CCC(=O)NC1=O ZINC001218950725 1224270815 /nfs/dbraw/zinc/27/08/15/1224270815.db2.gz XRLKKGRFPGANFE-MGPUTAFESA-N 2 0 370.453 0.519 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 ZINC001218971302 1224274636 /nfs/dbraw/zinc/27/46/36/1224274636.db2.gz XMSGDBFUFMKXOV-ZWKOTPCHSA-N 2 0 365.449 0.816 20 0 FCADRP Cc1ccncc1CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970935 1224275504 /nfs/dbraw/zinc/27/55/04/1224275504.db2.gz OXYLREJRYSQPCS-ZWKOTPCHSA-N 2 0 362.474 0.380 20 0 FCADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)cc2)CCC1 ZINC001218972301 1224276591 /nfs/dbraw/zinc/27/65/91/1224276591.db2.gz KMPOBRJOCXYMRO-HNNXBMFYSA-N 2 0 367.457 0.901 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)N(C(C)=O)CC2 ZINC001218988335 1224279905 /nfs/dbraw/zinc/27/99/05/1224279905.db2.gz XWEQJPCDUHCDLF-AUUYWEPGSA-N 2 0 358.442 0.742 20 0 FCADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218994775 1224282155 /nfs/dbraw/zinc/28/21/55/1224282155.db2.gz LHUMNTGFVFLQNU-ZBFHGGJFSA-N 2 0 367.457 0.640 20 0 FCADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219001375 1224282593 /nfs/dbraw/zinc/28/25/93/1224282593.db2.gz ZESXWBJDZBVXNN-IXDOHACOSA-N 2 0 366.506 0.251 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 ZINC001219004373 1224284287 /nfs/dbraw/zinc/28/42/87/1224284287.db2.gz HPWFNVFSXDOVBL-DLBZAZTESA-N 2 0 366.506 0.156 20 0 FCADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905368586 1195584035 /nfs/dbraw/zinc/58/40/35/1195584035.db2.gz UCBILWBGEQIYNO-SLFFLAALSA-N 2 0 364.486 0.635 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CC[NH+](C)CC1 ZINC000906644804 1195641956 /nfs/dbraw/zinc/64/19/56/1195641956.db2.gz PBTTWKQKBRTTML-QGZVFWFLSA-N 2 0 361.490 0.472 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)OC2(CC[NH2+]CC2)C1 ZINC001219028243 1224299980 /nfs/dbraw/zinc/29/99/80/1224299980.db2.gz WKVLLEXUZVBUGI-QGZVFWFLSA-N 2 0 360.458 0.560 20 0 FCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908204669 1195733067 /nfs/dbraw/zinc/73/30/67/1195733067.db2.gz SJKVAGLGLBXCOS-KRWDZBQOSA-N 2 0 361.490 0.167 20 0 FCADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)(N2CCOCC2)CC1 ZINC000910406483 1195814016 /nfs/dbraw/zinc/81/40/16/1195814016.db2.gz SNBXCNPROAQHMN-ZWKOTPCHSA-N 2 0 364.534 0.916 20 0 FCADRP CN1CC[N@H+](C)CC(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000910463562 1195817272 /nfs/dbraw/zinc/81/72/72/1195817272.db2.gz OBBRIYBIZGLYDQ-UHFFFAOYSA-N 2 0 374.529 0.623 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000910984951 1195873340 /nfs/dbraw/zinc/87/33/40/1195873340.db2.gz QXNLZKFAVCAKRH-WCXIOVBPSA-N 2 0 362.518 0.824 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000911016084 1195878539 /nfs/dbraw/zinc/87/85/39/1195878539.db2.gz SYRHQOINWPENKC-DJIMGWMZSA-N 2 0 366.506 0.068 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911039899 1195882071 /nfs/dbraw/zinc/88/20/71/1195882071.db2.gz LSXFNVVXBOFFOO-JKSUJKDBSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911043601 1195883045 /nfs/dbraw/zinc/88/30/45/1195883045.db2.gz VRSGAVYKFYRTIO-IAGOWNOFSA-N 2 0 374.485 0.247 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000911078826 1195887077 /nfs/dbraw/zinc/88/70/77/1195887077.db2.gz TUCVNVRTAALECK-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000911099430 1195888494 /nfs/dbraw/zinc/88/84/94/1195888494.db2.gz DQZLAZXBPCLTAB-ZWKOTPCHSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC000911102849 1195890186 /nfs/dbraw/zinc/89/01/86/1195890186.db2.gz SMQVWGHJHOLKPV-HNNXBMFYSA-N 2 0 362.474 0.441 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911123754 1195892706 /nfs/dbraw/zinc/89/27/06/1195892706.db2.gz JDDXWKZVOHOJGH-GJZGRUSLSA-N 2 0 358.486 0.867 20 0 FCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000911244202 1195922073 /nfs/dbraw/zinc/92/20/73/1195922073.db2.gz VLJAUNGVQOHJNL-KRWDZBQOSA-N 2 0 374.485 0.209 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911270548 1195925808 /nfs/dbraw/zinc/92/58/08/1195925808.db2.gz YMTMGZAVCZYVCF-IAGOWNOFSA-N 2 0 367.538 0.025 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654906 1196351079 /nfs/dbraw/zinc/35/10/79/1196351079.db2.gz LVUJLMRTAHRFEP-PBIMCDDKSA-N 2 0 363.502 0.591 20 0 FCADRP NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001219087372 1224346607 /nfs/dbraw/zinc/34/66/07/1224346607.db2.gz DRTRUFGDTCGBPJ-KRWDZBQOSA-N 2 0 359.474 0.654 20 0 FCADRP NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001219087906 1224349191 /nfs/dbraw/zinc/34/91/91/1224349191.db2.gz KESGXWHKFWOIPW-CQSZACIVSA-N 2 0 357.458 0.136 20 0 FCADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219117924 1224360604 /nfs/dbraw/zinc/36/06/04/1224360604.db2.gz HRIYVEDDMOHYBS-ROUUACIJSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CC(=O)N1CCC[C@@H](C)C1 ZINC001088983771 1196856234 /nfs/dbraw/zinc/85/62/34/1196856234.db2.gz NRXDJJBMXIRDLP-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ccc1N1CCOCC1 ZINC001219167687 1224372719 /nfs/dbraw/zinc/37/27/19/1224372719.db2.gz GPUUYIFTPGBYLO-AUUYWEPGSA-N 2 0 360.458 0.669 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000992393096 1197086217 /nfs/dbraw/zinc/08/62/17/1197086217.db2.gz OWCNOKGHUVTUHF-DLBZAZTESA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143182 1197299102 /nfs/dbraw/zinc/29/91/02/1197299102.db2.gz VGXOUAHXSYZBJE-NXHRZFHOSA-N 2 0 364.534 0.879 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992954224 1197629416 /nfs/dbraw/zinc/62/94/16/1197629416.db2.gz VGWBAFVVIYPQAP-SQGPQFPESA-N 2 0 362.518 0.873 20 0 FCADRP CN1c2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccc2C(C)(C)C1=O ZINC001219328309 1224430322 /nfs/dbraw/zinc/43/03/22/1224430322.db2.gz FRBAZXODUQRRCD-OAHLLOKOSA-N 2 0 359.474 0.630 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@]3(C)C2)CCC1 ZINC000993031857 1197704064 /nfs/dbraw/zinc/70/40/64/1197704064.db2.gz LXRVMLFRFWZDGP-GJYPPUQNSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@]2(C)C1)[NH+](C)C ZINC000993045901 1197734861 /nfs/dbraw/zinc/73/48/61/1197734861.db2.gz DZFASKRRWHTUJV-URLQWDBASA-N 2 0 361.490 0.989 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742841 /nfs/dbraw/zinc/74/28/41/1197742841.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 2 0 365.522 0.317 20 0 FCADRP COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000734277098 1197744045 /nfs/dbraw/zinc/74/40/45/1197744045.db2.gz XSEZHLOQMZZRJJ-LSDHHAIUSA-N 2 0 367.494 0.685 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnn(C)n2)C1 ZINC001085306885 1197808875 /nfs/dbraw/zinc/80/88/75/1197808875.db2.gz VNSAIJZUZMXLHS-ARFHVFGLSA-N 2 0 363.510 0.849 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085331800 1197824433 /nfs/dbraw/zinc/82/44/33/1197824433.db2.gz AJLWALFBCOPVBA-ARFHVFGLSA-N 2 0 364.490 0.494 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001085374391 1197850719 /nfs/dbraw/zinc/85/07/19/1197850719.db2.gz NINVIKYODMWCJB-OAGGEKHMSA-N 2 0 364.490 0.541 20 0 FCADRP Cc1nc2c([nH]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)CC2 ZINC001106343309 1197872059 /nfs/dbraw/zinc/87/20/59/1197872059.db2.gz YJPGHDCZGBUTQY-FVQBIDKESA-N 2 0 371.489 0.799 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085432770 1197899574 /nfs/dbraw/zinc/89/95/74/1197899574.db2.gz PFWXLQIECDHCMR-BRWVUGGUSA-N 2 0 365.522 0.903 20 0 FCADRP CCOC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c2c1OCCO2 ZINC001219372909 1224445849 /nfs/dbraw/zinc/44/58/49/1224445849.db2.gz JPVSDYJIKDJFQP-LBPRGKRZSA-N 2 0 361.398 0.382 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C)C(N)=O ZINC001106411930 1197908646 /nfs/dbraw/zinc/90/86/46/1197908646.db2.gz ARFQUZFPUKAHSU-HZSPNIEDSA-N 2 0 356.430 0.439 20 0 FCADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106410061 1197910836 /nfs/dbraw/zinc/91/08/36/1197910836.db2.gz CXSDLYAVPDPQHN-ZIAGYGMSSA-N 2 0 356.430 0.311 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106472407 1197955138 /nfs/dbraw/zinc/95/51/38/1197955138.db2.gz XTWKJTHGCITPDP-SUMDDJOVSA-N 2 0 362.518 0.777 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001273350166 1197959234 /nfs/dbraw/zinc/95/92/34/1197959234.db2.gz LLRIATYFDANYCH-KRWDZBQOSA-N 2 0 362.518 0.873 20 0 FCADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106517072 1197989367 /nfs/dbraw/zinc/98/93/67/1197989367.db2.gz USPGSDLAOAXWBW-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001086369050 1198328544 /nfs/dbraw/zinc/32/85/44/1198328544.db2.gz NDLWLESUVGOHKT-AYIQCDPPSA-N 2 0 366.506 0.092 20 0 FCADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001219489839 1224485989 /nfs/dbraw/zinc/48/59/89/1224485989.db2.gz WWNOOVYABWLERZ-AEFFLSMTSA-N 2 0 362.474 0.887 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501306 1224488905 /nfs/dbraw/zinc/48/89/05/1224488905.db2.gz TYMFJMKBEVLLIV-ZZPBRAQSSA-N 2 0 372.425 0.051 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+][C@@H]3CCO[C@@H]31)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501145 1224489494 /nfs/dbraw/zinc/48/94/94/1224489494.db2.gz PUNPVBASIUZOTD-FIJXPMFNSA-N 2 0 372.425 0.194 20 0 FCADRP COc1cc2c(cc1NC(=O)C[C@H]1COCC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504985 1224491061 /nfs/dbraw/zinc/49/10/61/1224491061.db2.gz YVJHOQFAVRYTEJ-VOJFVSQTSA-N 2 0 360.414 0.195 20 0 FCADRP COc1cc2c(cc1NC(=O)c1n[nH]c3c1C[NH2+]C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219509234 1224492408 /nfs/dbraw/zinc/49/24/08/1224492408.db2.gz NQAIJXNDCPOQRG-SFHVURJKSA-N 2 0 368.397 0.457 20 0 FCADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219533224 1224500129 /nfs/dbraw/zinc/50/01/29/1224500129.db2.gz IICQFCYCSDRQAE-LALPHHSUSA-N 2 0 356.426 0.189 20 0 FCADRP CC[NH+](CC)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219555781 1224508402 /nfs/dbraw/zinc/50/84/02/1224508402.db2.gz RTTQRVXTEIGHDC-ROUUACIJSA-N 2 0 360.502 0.924 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1cncc(C(F)(F)F)c1 ZINC001219575175 1224514395 /nfs/dbraw/zinc/51/43/95/1224514395.db2.gz CJGNREYEQVWIOI-OAHLLOKOSA-N 2 0 373.423 0.900 20 0 FCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc4nc([C@@H]5CC[NH2+]C5)nn4c3)n2)c1 ZINC001168882877 1199039859 /nfs/dbraw/zinc/03/98/59/1199039859.db2.gz ACNCTTVUQREIGX-CQSZACIVSA-N 2 0 361.413 0.908 20 0 FCADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398448 1199065619 /nfs/dbraw/zinc/06/56/19/1199065619.db2.gz RKFZKHMROFXNJT-BRSBDYLESA-N 2 0 370.490 0.766 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129334260 1199070598 /nfs/dbraw/zinc/07/05/98/1199070598.db2.gz YBAVWFBGEKMXDQ-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001129348064 1199097581 /nfs/dbraw/zinc/09/75/81/1199097581.db2.gz JNRWONPIPFAALS-CVEARBPZSA-N 2 0 368.457 0.090 20 0 FCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H](c1cc2ccccc2o1)N1CCC[NH2+]CC1 ZINC001219714619 1224570654 /nfs/dbraw/zinc/57/06/54/1224570654.db2.gz QXOFMVLVAQNREX-IIDMSEBBSA-N 2 0 358.442 0.218 20 0 FCADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728705 1224581133 /nfs/dbraw/zinc/58/11/33/1224581133.db2.gz FIIKVIJMNIPWBO-FHWLQOOXSA-N 3 0 371.529 0.294 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCN1 ZINC001219728751 1224581331 /nfs/dbraw/zinc/58/13/31/1224581331.db2.gz GIUXGBCNEBKSBT-MOPGFXCFSA-N 3 0 371.529 0.166 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736702 1224584564 /nfs/dbraw/zinc/58/45/64/1224584564.db2.gz FQVYLMTYNRDFIR-GOEBONIOSA-N 2 0 356.426 0.044 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739505 1224585601 /nfs/dbraw/zinc/58/56/01/1224585601.db2.gz QHIVODHBIXWZEF-ROUUACIJSA-N 2 0 370.497 0.203 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219737332 1224586465 /nfs/dbraw/zinc/58/64/65/1224586465.db2.gz SZCJTBUADGXJRS-YOEHRIQHSA-N 2 0 357.454 0.564 20 0 FCADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219739718 1224586945 /nfs/dbraw/zinc/58/69/45/1224586945.db2.gz VXTNGPOQVHWJLE-KRWDZBQOSA-N 2 0 369.469 0.457 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749183 1224592004 /nfs/dbraw/zinc/59/20/04/1224592004.db2.gz JMYPLLJEYQJJOO-HNNXBMFYSA-N 2 0 365.441 0.506 20 0 FCADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748801 1224592499 /nfs/dbraw/zinc/59/24/99/1224592499.db2.gz COVQHHMCVBZUDE-GJZGRUSLSA-N 2 0 364.494 0.436 20 0 FCADRP [NH3+][C@@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCc2cc(F)ccc2C1 ZINC001219750041 1224594437 /nfs/dbraw/zinc/59/44/37/1224594437.db2.gz VNKMHXWLFAIWJQ-SFHVURJKSA-N 2 0 358.421 0.413 20 0 FCADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749419 1224594630 /nfs/dbraw/zinc/59/46/30/1224594630.db2.gz MVTQUKFYHMXYFF-QGZVFWFLSA-N 2 0 371.489 0.283 20 0 FCADRP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1cc[nH+]cc1 ZINC001109471202 1200313682 /nfs/dbraw/zinc/31/36/82/1200313682.db2.gz VAOFYTYRZCQADS-SQNIBIBYSA-N 2 0 369.473 0.921 20 0 FCADRP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538723 1200370674 /nfs/dbraw/zinc/37/06/74/1200370674.db2.gz PLFYVNFEMCOTLB-IBTBTWTJSA-N 2 0 363.502 0.998 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001219782972 1224611292 /nfs/dbraw/zinc/61/12/92/1224611292.db2.gz OMEHRNRVEGIDMC-IAGOWNOFSA-N 2 0 354.454 0.747 20 0 FCADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219790630 1224613505 /nfs/dbraw/zinc/61/35/05/1224613505.db2.gz KGJGZBHVGZZORP-HNNXBMFYSA-N 2 0 369.473 0.227 20 0 FCADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219794368 1224616165 /nfs/dbraw/zinc/61/61/65/1224616165.db2.gz YCDJZZIBPSDIHI-JXFKEZNVSA-N 3 0 364.534 0.868 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCCCn3cncn3)C[C@@H]2O)CCC1 ZINC001219798096 1224618013 /nfs/dbraw/zinc/61/80/13/1224618013.db2.gz DLAARIUKOCBIFQ-CVEARBPZSA-N 2 0 364.494 0.094 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801176 1224621411 /nfs/dbraw/zinc/62/14/11/1224621411.db2.gz UZMJEYKHFLIVLR-HOTGVXAUSA-N 2 0 361.442 0.332 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001109980709 1200667345 /nfs/dbraw/zinc/66/73/45/1200667345.db2.gz XUBWVCDCXOOBSV-OWSLCNJRSA-N 2 0 369.506 0.482 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812459 1224630571 /nfs/dbraw/zinc/63/05/71/1224630571.db2.gz BRRVSXCXHUSVSU-FCEWJHQRSA-N 2 0 361.442 0.190 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219814640 1224631536 /nfs/dbraw/zinc/63/15/36/1224631536.db2.gz IXWWFRVIBWULEY-JXFKEZNVSA-N 2 0 372.469 0.134 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2)C(=O)N(C)C ZINC001112563831 1200800657 /nfs/dbraw/zinc/80/06/57/1200800657.db2.gz PQMIOQGKQQOLOP-BXWFABGCSA-N 2 0 368.522 0.260 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393345 1200807097 /nfs/dbraw/zinc/80/70/97/1200807097.db2.gz IUODKBLJZCBSDJ-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)C(=O)NC1CC1 ZINC001112578811 1200817511 /nfs/dbraw/zinc/81/75/11/1200817511.db2.gz ILOIHRRDIDCVGN-FTRWYGJKSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112585471 1200824971 /nfs/dbraw/zinc/82/49/71/1200824971.db2.gz ZWOOMVUHSCJNQL-ZWOKBUDYSA-N 2 0 362.518 0.969 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112585470 1200825241 /nfs/dbraw/zinc/82/52/41/1200825241.db2.gz ZWOOMVUHSCJNQL-QKLQHJQFSA-N 2 0 362.518 0.969 20 0 FCADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219818576 1224634133 /nfs/dbraw/zinc/63/41/33/1224634133.db2.gz FHHBHVWVEIWJIE-QAPCUYQASA-N 2 0 352.442 0.719 20 0 FCADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823195 1224638397 /nfs/dbraw/zinc/63/83/97/1224638397.db2.gz MSZQDZUHHFSKKD-STQMWFEESA-N 2 0 374.470 0.336 20 0 FCADRP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001219830310 1224642004 /nfs/dbraw/zinc/64/20/04/1224642004.db2.gz VGMYTARQNNKBJU-KSZLIROESA-N 2 0 363.506 0.536 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219831322 1224642046 /nfs/dbraw/zinc/64/20/46/1224642046.db2.gz GHDAHNJANVFSJX-KNCCTNLNSA-N 2 0 357.454 0.562 20 0 FCADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219831652 1224643486 /nfs/dbraw/zinc/64/34/86/1224643486.db2.gz SFPRHYMVVXVJHU-JVVIJLGSSA-N 2 0 356.470 0.206 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219834142 1224644663 /nfs/dbraw/zinc/64/46/63/1224644663.db2.gz OKWCITCDUFEPFD-NWGLXNPWSA-N 2 0 360.458 0.244 20 0 FCADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219838648 1224646903 /nfs/dbraw/zinc/64/69/03/1224646903.db2.gz SNZZVFBEJYNSAK-LYSIVYOWSA-N 2 0 373.497 0.891 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001219846957 1224651343 /nfs/dbraw/zinc/65/13/43/1224651343.db2.gz LTFULRJQNIVGCT-IKGGRYGDSA-N 2 0 366.510 0.196 20 0 FCADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219849689 1224653134 /nfs/dbraw/zinc/65/31/34/1224653134.db2.gz FNPFTRQEVFBCFL-CKNFYHOISA-N 2 0 370.453 0.290 20 0 FCADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219850502 1224653987 /nfs/dbraw/zinc/65/39/87/1224653987.db2.gz WPYNHAYQUDBSFD-ILRDRHFLSA-N 2 0 371.481 0.810 20 0 FCADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219849978 1224654013 /nfs/dbraw/zinc/65/40/13/1224654013.db2.gz KONLEHYDNJAIPL-OKZBNKHCSA-N 2 0 372.469 0.418 20 0 FCADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001219856553 1224656122 /nfs/dbraw/zinc/65/61/22/1224656122.db2.gz REJDZKASHTWZSO-UWWQBHOKSA-N 2 0 355.438 0.611 20 0 FCADRP Cc1ccc([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)N2CCC([NH3+])CC2)cc1 ZINC001219856595 1224656244 /nfs/dbraw/zinc/65/62/44/1224656244.db2.gz SZJKHHPDINRDPR-FCGDIQPGSA-N 2 0 358.486 0.562 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cccc(=NN3C(=O)CCC3=O)[nH]2)O1 ZINC001170276283 1201204220 /nfs/dbraw/zinc/20/42/20/1201204220.db2.gz BUFFMAGXCSAYRB-QFSBIZTOSA-N 2 0 363.418 0.694 20 0 FCADRP C[C@@H](O)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000793628562 1201248585 /nfs/dbraw/zinc/24/85/85/1201248585.db2.gz FTQCKGSTYPMDNT-OAHLLOKOSA-N 2 0 364.490 0.308 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407192 1201296835 /nfs/dbraw/zinc/29/68/35/1201296835.db2.gz IAPMODDPANEYFV-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460236 1201325561 /nfs/dbraw/zinc/32/55/61/1201325561.db2.gz HJSGOFRHDHEGJA-SJORKVTESA-N 2 0 366.510 0.775 20 0 FCADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001219898213 1224674140 /nfs/dbraw/zinc/67/41/40/1224674140.db2.gz HTPFGGBUCDEZPQ-HOTGVXAUSA-N 2 0 364.490 0.315 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892403 1201416393 /nfs/dbraw/zinc/41/63/93/1201416393.db2.gz VIOZZDLCMNJQRC-IKGGRYGDSA-N 2 0 364.494 0.385 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910410 1201423307 /nfs/dbraw/zinc/42/33/07/1201423307.db2.gz RSINWYICNSZNAG-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910484 1201423397 /nfs/dbraw/zinc/42/33/97/1201423397.db2.gz VIHIELJNZRLQNB-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894370 1201428315 /nfs/dbraw/zinc/42/83/15/1201428315.db2.gz CULRBWDSDJUMMQ-SJORKVTESA-N 2 0 364.494 0.531 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129932155 1201434875 /nfs/dbraw/zinc/43/48/75/1201434875.db2.gz OTSNDSJFLOOWJX-XKQJLSEDSA-N 2 0 369.429 0.616 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919037 1201440593 /nfs/dbraw/zinc/44/05/93/1201440593.db2.gz OSVUCZMHUHKTRU-XHSDSOJGSA-N 2 0 366.510 0.511 20 0 FCADRP CN(CCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1cc[nH+]cc1 ZINC001129918945 1201440892 /nfs/dbraw/zinc/44/08/92/1201440892.db2.gz NGJNUYRLNKXFBS-CVEARBPZSA-N 2 0 361.425 0.511 20 0 FCADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129924631 1201443551 /nfs/dbraw/zinc/44/35/51/1201443551.db2.gz CRQSZCNBPFXIKU-XHSDSOJGSA-N 2 0 364.469 0.996 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925273 1201444292 /nfs/dbraw/zinc/44/42/92/1201444292.db2.gz XNXBRGAJUKKIMW-CVEARBPZSA-N 2 0 362.478 0.285 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982259 1201461646 /nfs/dbraw/zinc/46/16/46/1201461646.db2.gz BAINPFNDWWVTJH-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129983167 1201462559 /nfs/dbraw/zinc/46/25/59/1201462559.db2.gz PZASIAIALVADCV-CABCVRRESA-N 2 0 364.425 0.948 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129984864 1201463692 /nfs/dbraw/zinc/46/36/92/1201463692.db2.gz GGSAZNFIKPHQQW-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994611 1201464898 /nfs/dbraw/zinc/46/48/98/1201464898.db2.gz XPZZEBTUJVCSCC-SJORKVTESA-N 2 0 366.510 0.634 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014681 1201472065 /nfs/dbraw/zinc/47/20/65/1201472065.db2.gz ZERVQEBDHAMASR-MSOLQXFVSA-N 2 0 356.474 0.814 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130009208 1201477582 /nfs/dbraw/zinc/47/75/82/1201477582.db2.gz BSQMAFWDCOTBFE-IKGGRYGDSA-N 2 0 366.510 0.777 20 0 FCADRP CCC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009252 1201477813 /nfs/dbraw/zinc/47/78/13/1201477813.db2.gz FIYPFUZXHBHMHK-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC1 ZINC001130056986 1201484367 /nfs/dbraw/zinc/48/43/67/1201484367.db2.gz CVIWCEKAUXHAFR-CVEARBPZSA-N 2 0 368.457 0.090 20 0 FCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047703 1201486601 /nfs/dbraw/zinc/48/66/01/1201486601.db2.gz OJCMXUVPSYMQLT-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1)OC ZINC001130095087 1201498485 /nfs/dbraw/zinc/49/84/85/1201498485.db2.gz ZTIGDMRXXDWEMN-ZACQAIPSSA-N 2 0 366.510 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130096198 1201499307 /nfs/dbraw/zinc/49/93/07/1201499307.db2.gz ATJZRUGWPBORNY-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130136954 1201514294 /nfs/dbraw/zinc/51/42/94/1201514294.db2.gz AYPPCEBZEBWEBD-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130136989 1201514644 /nfs/dbraw/zinc/51/46/44/1201514644.db2.gz CRPNDHSUETWDIF-SJORKVTESA-N 2 0 364.494 0.386 20 0 FCADRP CC[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234581 1201558513 /nfs/dbraw/zinc/55/85/13/1201558513.db2.gz BQCDMSULEYAVAZ-ILXRZTDVSA-N 2 0 366.510 0.881 20 0 FCADRP CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130235152 1201558963 /nfs/dbraw/zinc/55/89/63/1201558963.db2.gz VORFDPAYYBZXMY-IHRRRGAJSA-N 2 0 370.473 0.583 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001130237969 1201559934 /nfs/dbraw/zinc/55/99/34/1201559934.db2.gz MVCJNWRNBDOPOV-KKUMJFAQSA-N 2 0 364.494 0.633 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)C1 ZINC001130249081 1201568856 /nfs/dbraw/zinc/56/88/56/1201568856.db2.gz IWFJIUAAGOSCKZ-IHRRRGAJSA-N 2 0 368.457 0.194 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930744 1224686731 /nfs/dbraw/zinc/68/67/31/1224686731.db2.gz GNSMRXSDMODFIT-GUYCJALGSA-N 2 0 361.490 0.654 20 0 FCADRP COC(=O)[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974617 1224709526 /nfs/dbraw/zinc/70/95/26/1224709526.db2.gz BFPYUQNIHLOHAB-HZPDHXFCSA-N 2 0 361.442 0.900 20 0 FCADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999269 1224722741 /nfs/dbraw/zinc/72/27/41/1224722741.db2.gz OLUCFBRJPLBNJO-OALUTQOASA-N 2 0 359.518 0.690 20 0 FCADRP N=c1sc2c(n1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CC[C@H]([NH3+])C2 ZINC001220025377 1224731181 /nfs/dbraw/zinc/73/11/81/1224731181.db2.gz MVHQYDPRCJZXHK-STQMWFEESA-N 2 0 373.482 0.171 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130592903 1202726619 /nfs/dbraw/zinc/72/66/19/1202726619.db2.gz KXPJQPKYXNGPNM-XLMAVXFVSA-N 2 0 363.506 0.681 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130605216 1202733230 /nfs/dbraw/zinc/73/32/30/1202733230.db2.gz ZLCNVBPUIJHZCT-JQHSSLGASA-N 2 0 363.506 0.825 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cn(C)cn1 ZINC001130622208 1202734100 /nfs/dbraw/zinc/73/41/00/1202734100.db2.gz XDOHTUXAFSQEQC-FUHWJXTLSA-N 2 0 368.441 0.912 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672136 1202751705 /nfs/dbraw/zinc/75/17/05/1202751705.db2.gz IUIXHXQRWKFPTB-XYJFISCASA-N 2 0 363.506 0.825 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130706606 1202756867 /nfs/dbraw/zinc/75/68/67/1202756867.db2.gz OOHANOABFASIJY-XYJFISCASA-N 2 0 363.506 0.682 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130733927 1202768243 /nfs/dbraw/zinc/76/82/43/1202768243.db2.gz AJCMYXFPJTUONW-JQHSSLGASA-N 2 0 363.506 0.561 20 0 FCADRP CO[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802426 1202803718 /nfs/dbraw/zinc/80/37/18/1202803718.db2.gz UDMBJOMFHVAIAB-HZSPNIEDSA-N 2 0 368.482 0.217 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130943951 1202826850 /nfs/dbraw/zinc/82/68/50/1202826850.db2.gz PXDKQOZMXNNSHP-BRWVUGGUSA-N 2 0 363.506 0.825 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCO ZINC001130994403 1202838522 /nfs/dbraw/zinc/83/85/22/1202838522.db2.gz YRJLDQMKVKZRPN-BRWVUGGUSA-N 2 0 361.490 0.028 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CC[N@@H+]1C ZINC001130994211 1202838543 /nfs/dbraw/zinc/83/85/43/1202838543.db2.gz NDSZYRIFUQTPKW-YLFCFFPRSA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001131059776 1202853368 /nfs/dbraw/zinc/85/33/68/1202853368.db2.gz IHQXAEWJXOSJEQ-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131121026 1202865988 /nfs/dbraw/zinc/86/59/88/1202865988.db2.gz JJLSHDMEXVPOOW-IAGOWNOFSA-N 2 0 363.506 0.827 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131522291 1202910278 /nfs/dbraw/zinc/91/02/78/1202910278.db2.gz AHWUTLFIFYUHEK-BMFZPTHFSA-N 2 0 368.522 0.576 20 0 FCADRP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001131555520 1202913307 /nfs/dbraw/zinc/91/33/07/1202913307.db2.gz JJUCSWCCFAUISG-NUJGCVRESA-N 2 0 368.522 0.578 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555473 1202913499 /nfs/dbraw/zinc/91/34/99/1202913499.db2.gz HYGUBHHMXFNFKY-LMMKCTJWSA-N 2 0 371.522 0.321 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131588018 1202916520 /nfs/dbraw/zinc/91/65/20/1202916520.db2.gz LUHRZGDLGTZGJH-MJGOQNOKSA-N 2 0 371.522 0.323 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131588236 1202916795 /nfs/dbraw/zinc/91/67/95/1202916795.db2.gz ZEWHTMVRDSDAMD-LMMKCTJWSA-N 2 0 371.522 0.321 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1)C(N)=O ZINC001131597012 1202919697 /nfs/dbraw/zinc/91/96/97/1202919697.db2.gz GKCBBWGGXBBXDL-LESCRADOSA-N 2 0 368.522 0.578 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)n1 ZINC001086698903 1202973753 /nfs/dbraw/zinc/97/37/53/1202973753.db2.gz HKCXPIWEMZNHBT-UONOGXRCSA-N 2 0 361.450 0.516 20 0 FCADRP NC(=O)COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000816620697 1203073751 /nfs/dbraw/zinc/07/37/51/1203073751.db2.gz HKHVLOSPYSYGJV-UHFFFAOYSA-N 2 0 362.474 0.633 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001086758901 1203082273 /nfs/dbraw/zinc/08/22/73/1203082273.db2.gz CTHZETTTYCUEON-BJJXKVORSA-N 2 0 369.425 0.628 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086761438 1203083111 /nfs/dbraw/zinc/08/31/11/1203083111.db2.gz GNVJAAIUXPNIHA-LXBRFVSJSA-N 2 0 360.458 0.912 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC001086785087 1203092390 /nfs/dbraw/zinc/09/23/90/1203092390.db2.gz JQNIZHCKRRJVEJ-GVDBMIGSSA-N 2 0 363.506 0.904 20 0 FCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086786336 1203093373 /nfs/dbraw/zinc/09/33/73/1203093373.db2.gz WFYWWYOTRJXMTJ-LUKYLMHMSA-N 2 0 365.522 0.616 20 0 FCADRP CCOCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863291 1203102047 /nfs/dbraw/zinc/10/20/47/1203102047.db2.gz VGOMEIVGUKNCIG-BRWVUGGUSA-N 2 0 370.538 0.744 20 0 FCADRP C[C@@H](CCCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170869777 1203105903 /nfs/dbraw/zinc/10/59/03/1203105903.db2.gz APYNNCHLEHFCTI-ARFHVFGLSA-N 2 0 366.506 0.740 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001170872706 1203107883 /nfs/dbraw/zinc/10/78/83/1203107883.db2.gz YSZLSFSEYKFUJM-SOUVJXGZSA-N 2 0 369.510 0.437 20 0 FCADRP O=C(C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000817946464 1203127387 /nfs/dbraw/zinc/12/73/87/1203127387.db2.gz XVVZVBRCVBRZPY-UHFFFAOYSA-N 2 0 360.458 0.809 20 0 FCADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000817953434 1203127995 /nfs/dbraw/zinc/12/79/95/1203127995.db2.gz ONIYPFIPORVTNG-ROUUACIJSA-N 2 0 358.486 0.917 20 0 FCADRP [NH3+]CCCn1cc(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)nn1 ZINC000818538887 1203139548 /nfs/dbraw/zinc/13/95/48/1203139548.db2.gz VZUFVAGCXWVRBY-UHFFFAOYSA-N 2 0 372.429 0.788 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@H]1C ZINC001090759857 1203291369 /nfs/dbraw/zinc/29/13/69/1203291369.db2.gz JFRKXNRWBJDUGZ-RHSMWYFYSA-N 2 0 360.506 0.747 20 0 FCADRP O=C([C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001143671074 1203323675 /nfs/dbraw/zinc/32/36/75/1203323675.db2.gz QCSIASKCUHOFOQ-ZCNNSNEGSA-N 2 0 373.497 0.945 20 0 FCADRP COc1ccc(OCCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220273341 1224818546 /nfs/dbraw/zinc/81/85/46/1224818546.db2.gz IEQDWWYWSJNRFB-MSOLQXFVSA-N 2 0 365.474 0.577 20 0 FCADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311302 1224825585 /nfs/dbraw/zinc/82/55/85/1224825585.db2.gz MBLRDYXWASTNSE-AWEZNQCLSA-N 2 0 353.430 0.439 20 0 FCADRP C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001220306111 1224824324 /nfs/dbraw/zinc/82/43/24/1224824324.db2.gz CJYNBBZXUGHSDQ-RXVVDRJESA-N 2 0 371.529 0.466 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])CC[C@@H]21 ZINC001144132166 1204423229 /nfs/dbraw/zinc/42/32/29/1204423229.db2.gz HFVZKCYULKFKBP-PMPSAXMXSA-N 2 0 361.494 0.408 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC[NH+](C)CC1 ZINC001220346106 1224836350 /nfs/dbraw/zinc/83/63/50/1224836350.db2.gz YQYVSQSJVCSJSE-CRAIPNDOSA-N 2 0 367.490 0.679 20 0 FCADRP C[NH2+][C@H](C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H](C)O ZINC001220358778 1224842284 /nfs/dbraw/zinc/84/22/84/1224842284.db2.gz XOOCECXFVPLRDD-XBVQOTNRSA-N 2 0 363.458 0.531 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001171249801 1204651958 /nfs/dbraw/zinc/65/19/58/1204651958.db2.gz QMKPCKFQEMJCHH-QGZVFWFLSA-N 2 0 367.538 0.119 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358285 1224842592 /nfs/dbraw/zinc/84/25/92/1224842592.db2.gz QMJTUYFBIOFSLZ-IRXDYDNUSA-N 3 0 362.474 0.500 20 0 FCADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001144935750 1204661352 /nfs/dbraw/zinc/66/13/52/1204661352.db2.gz JTJGTTPMMWULKH-CEXWTWQISA-N 2 0 359.470 0.887 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)CC2CC2)C3)CC[N@@H+]1C ZINC001147583858 1204798343 /nfs/dbraw/zinc/79/83/43/1204798343.db2.gz YIDHBTVAJRETJK-NVXWUHKLSA-N 2 0 362.518 0.729 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716189 1204831260 /nfs/dbraw/zinc/83/12/60/1204831260.db2.gz MZHGAVWTOHVMFD-RKVPGOIHSA-N 2 0 361.494 0.365 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721264 1204832849 /nfs/dbraw/zinc/83/28/49/1204832849.db2.gz YDXZJYDOXZXHEI-AYBZRNKSSA-N 2 0 360.506 0.970 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754058 1204844302 /nfs/dbraw/zinc/84/43/02/1204844302.db2.gz AXDKNWOHUJGMCG-LMMKCTJWSA-N 2 0 360.506 0.933 20 0 FCADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2c2cnn(C)c2)cn1 ZINC001086970896 1204870722 /nfs/dbraw/zinc/87/07/22/1204870722.db2.gz MIJKLJACFSEQCC-KSZLIROESA-N 2 0 371.489 0.332 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395189 1224856653 /nfs/dbraw/zinc/85/66/53/1224856653.db2.gz ZXUYFCVXZVUNCG-HOTGVXAUSA-N 3 0 365.522 0.036 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087034983 1204910628 /nfs/dbraw/zinc/91/06/28/1204910628.db2.gz GNFZHWYSULZNIR-BPQIPLTHSA-N 2 0 361.490 0.832 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087055511 1204936022 /nfs/dbraw/zinc/93/60/22/1204936022.db2.gz RALVTRBVGJUYJD-JOCBIADPSA-N 2 0 363.506 0.713 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087059726 1204943990 /nfs/dbraw/zinc/94/39/90/1204943990.db2.gz SCSLNJGNWUHYLN-GDBMZVCRSA-N 2 0 365.478 0.815 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059497 1204944008 /nfs/dbraw/zinc/94/40/08/1204944008.db2.gz IZFFFLJOXCXZPZ-OWCLPIDISA-N 2 0 366.506 0.202 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087059391 1204944154 /nfs/dbraw/zinc/94/41/54/1204944154.db2.gz CPIKBTMTYGYFRY-DJIMGWMZSA-N 2 0 365.478 0.671 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087059416 1204944807 /nfs/dbraw/zinc/94/48/07/1204944807.db2.gz DQKJQLJOZYHBAE-RHSMWYFYSA-N 2 0 365.478 0.815 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087063386 1204950599 /nfs/dbraw/zinc/95/05/99/1204950599.db2.gz WJCJAFCKSTVIPJ-DJIMGWMZSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087071961 1204960976 /nfs/dbraw/zinc/96/09/76/1204960976.db2.gz MBYOFDHSIFHMCB-BZUAXINKSA-N 2 0 366.506 0.202 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087083945 1204972529 /nfs/dbraw/zinc/97/25/29/1204972529.db2.gz ZCIBFBMLYLJBJD-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087084673 1204974095 /nfs/dbraw/zinc/97/40/95/1204974095.db2.gz NXKFMRCQGCEWFI-HYVNUMGLSA-N 2 0 366.510 0.591 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087080997 1204992386 /nfs/dbraw/zinc/99/23/86/1204992386.db2.gz PYPDGCRDUOYBJV-BFYDXBDKSA-N 2 0 366.510 0.652 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087080884 1204992565 /nfs/dbraw/zinc/99/25/65/1204992565.db2.gz KMIKDIBJQZJDPC-KBAYOESNSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087100734 1204997060 /nfs/dbraw/zinc/99/70/60/1204997060.db2.gz BBXBVEDFIZQHQA-LZLYRXPVSA-N 2 0 363.506 0.633 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087100828 1204997140 /nfs/dbraw/zinc/99/71/40/1204997140.db2.gz GSXDUVHSPGRMFL-BRWVUGGUSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087100732 1204998231 /nfs/dbraw/zinc/99/82/31/1204998231.db2.gz BBWBMZBRQLAAMV-LZLYRXPVSA-N 2 0 361.490 0.690 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087096317 1205003337 /nfs/dbraw/zinc/00/33/37/1205003337.db2.gz IKYBVNCELJWCJV-ZMSDIMECSA-N 2 0 365.478 0.673 20 0 FCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087096762 1205004327 /nfs/dbraw/zinc/00/43/27/1205004327.db2.gz BTJNLXOMLMZNGV-IAGOWNOFSA-N 2 0 361.490 0.469 20 0 FCADRP Cc1c(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807819 1205021078 /nfs/dbraw/zinc/02/10/78/1205021078.db2.gz RMPXMBMCKLSDSK-LIVBEALHSA-N 2 0 367.453 0.925 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091783324 1205027457 /nfs/dbraw/zinc/02/74/57/1205027457.db2.gz YZKMFZGFJRFGPZ-CLCXKQKWSA-N 2 0 364.490 0.256 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014617 1205113335 /nfs/dbraw/zinc/11/33/35/1205113335.db2.gz ALUXBUPKSAMSKN-QINHECLXSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001220432180 1224870090 /nfs/dbraw/zinc/87/00/90/1224870090.db2.gz ZZOICUFVQPBXFF-CRAIPNDOSA-N 2 0 357.458 0.219 20 0 FCADRP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092071358 1205135120 /nfs/dbraw/zinc/13/51/20/1205135120.db2.gz SMIUBINTKJTKDU-HLIPFELVSA-N 2 0 362.518 0.777 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203639 1205196993 /nfs/dbraw/zinc/19/69/93/1205196993.db2.gz FNZBBYXERUVNTB-MUKKUYKPSA-N 2 0 359.474 0.805 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301381 1205234167 /nfs/dbraw/zinc/23/41/67/1205234167.db2.gz GCADJLOZGJARFX-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)C1=O ZINC001092301477 1205234259 /nfs/dbraw/zinc/23/42/59/1205234259.db2.gz JZGSMJBCNYLJQI-UWVAXJGDSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1cnc2c(N(CC[NH3+])C(=O)CNCC[NH3+])nc3ccc(C)cc3n12 ZINC001220458070 1224878756 /nfs/dbraw/zinc/87/87/56/1224878756.db2.gz DJEKHQDCVNWRQK-UHFFFAOYSA-N 2 0 355.446 0.339 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611479 1205324326 /nfs/dbraw/zinc/32/43/26/1205324326.db2.gz XTGVPZWUQYAEJL-KYJSFNMBSA-N 2 0 362.518 0.633 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615818 1205329276 /nfs/dbraw/zinc/32/92/76/1205329276.db2.gz QQQCVENJACYVLM-FMKPAKJESA-N 2 0 364.494 0.006 20 0 FCADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC001220515624 1224899559 /nfs/dbraw/zinc/89/95/59/1224899559.db2.gz HXGGHRDFJDCZLL-MBZQJMLQSA-N 2 0 360.458 0.432 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@H](NCc2ccccc2)C(C)(C)[NH3+])CC[NH2+]C1 ZINC001220521220 1224902982 /nfs/dbraw/zinc/90/29/82/1224902982.db2.gz AMPCFRCPXMPQBS-KRWDZBQOSA-N 2 0 374.485 0.809 20 0 FCADRP O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220527086 1224907229 /nfs/dbraw/zinc/90/72/29/1224907229.db2.gz DQLQKBGWMQTIRP-IEBWSBKVSA-N 2 0 356.470 0.871 20 0 FCADRP N[C@@H](C[NH3+])C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533344 1224910716 /nfs/dbraw/zinc/91/07/16/1224910716.db2.gz NPNIARRGROHUFG-OALUTQOASA-N 2 0 356.470 0.452 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092910037 1205940081 /nfs/dbraw/zinc/94/00/81/1205940081.db2.gz PVWWWITWHUDPEW-CBBWQLFWSA-N 2 0 364.494 0.023 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936680 1205962749 /nfs/dbraw/zinc/96/27/49/1205962749.db2.gz HATNDOSPCCYZCL-JFIYKMOQSA-N 2 0 364.534 0.929 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136978 1206034399 /nfs/dbraw/zinc/03/43/99/1206034399.db2.gz GKBYGXKQCYSLHS-CPUCHLNUSA-N 2 0 359.474 0.676 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193820 1206052987 /nfs/dbraw/zinc/05/29/87/1206052987.db2.gz MQTVGIDUZBJGMC-KZNAEPCWSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001093672743 1206099292 /nfs/dbraw/zinc/09/92/92/1206099292.db2.gz CBQGBKGVJMWQJK-BMFZPTHFSA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001093673695 1206099352 /nfs/dbraw/zinc/09/93/52/1206099352.db2.gz UVYFDWCQCOJEPO-FVQBIDKESA-N 2 0 360.506 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001093673004 1206099421 /nfs/dbraw/zinc/09/94/21/1206099421.db2.gz HZOZSXWDGZBJKF-MGPQQGTHSA-N 2 0 370.448 0.822 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001093779322 1206122501 /nfs/dbraw/zinc/12/25/01/1206122501.db2.gz CQSOCRZHIUJYGL-KLHDSHLOSA-N 2 0 363.510 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093825832 1206124264 /nfs/dbraw/zinc/12/42/64/1206124264.db2.gz RBUZBTLENXAXBB-HUUCEWRRSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093920080 1206149827 /nfs/dbraw/zinc/14/98/27/1206149827.db2.gz SMCZVASECZKJTG-XNRPHZJLSA-N 2 0 369.425 0.437 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093942125 1206155798 /nfs/dbraw/zinc/15/57/98/1206155798.db2.gz RFEQRWHXDCWHKO-QGPMSJSTSA-N 2 0 360.506 0.874 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093960962 1206159012 /nfs/dbraw/zinc/15/90/12/1206159012.db2.gz OSAQNVRYDVTYSN-ZIAGYGMSSA-N 2 0 364.494 0.167 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001094049244 1206176151 /nfs/dbraw/zinc/17/61/51/1206176151.db2.gz NWJRQRVGNJLTKW-KFWWJZLASA-N 2 0 365.526 0.952 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094088594 1206182419 /nfs/dbraw/zinc/18/24/19/1206182419.db2.gz BSNAZJWIOZNATG-BMFZPTHFSA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094088595 1206182689 /nfs/dbraw/zinc/18/26/89/1206182689.db2.gz BSNAZJWIOZNATG-FVQBIDKESA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)c1nnnn1C ZINC001094130989 1206189408 /nfs/dbraw/zinc/18/94/08/1206189408.db2.gz HTQASSGDWDUBTA-BZUAXINKSA-N 2 0 363.510 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094159089 1206195689 /nfs/dbraw/zinc/19/56/89/1206195689.db2.gz XZYVTYWWTZJHSS-ZTFGCOKTSA-N 2 0 362.518 0.681 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094165646 1206197781 /nfs/dbraw/zinc/19/77/81/1206197781.db2.gz VIBARCNBENZYMM-BZUAXINKSA-N 2 0 363.510 0.780 20 0 FCADRP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)C1=O ZINC001094170089 1206198183 /nfs/dbraw/zinc/19/81/83/1206198183.db2.gz NFDFAEAQSJOUQP-ZACQAIPSSA-N 2 0 362.518 0.776 20 0 FCADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220565148 1224934847 /nfs/dbraw/zinc/93/48/47/1224934847.db2.gz KFDYJODGFCZIRJ-CVEARBPZSA-N 2 0 360.458 0.546 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1 ZINC001094224522 1206200407 /nfs/dbraw/zinc/20/04/07/1206200407.db2.gz PBXJACGEWAZNJW-BRWVUGGUSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001094221176 1206203810 /nfs/dbraw/zinc/20/38/10/1206203810.db2.gz VKIAJXMRWKFFBI-HUUCEWRRSA-N 2 0 362.478 0.088 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094221049 1206203822 /nfs/dbraw/zinc/20/38/22/1206203822.db2.gz MMDAWUOIMFISAW-QLFBSQMISA-N 2 0 361.494 0.849 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094221084 1206203914 /nfs/dbraw/zinc/20/39/14/1206203914.db2.gz OLIGERDYDNCTIU-HZPDHXFCSA-N 2 0 360.506 0.894 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094241378 1206209738 /nfs/dbraw/zinc/20/97/38/1206209738.db2.gz YTYVPQGTRQDXMT-HUUCEWRRSA-N 2 0 364.494 0.169 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)CC1 ZINC001094503278 1206234215 /nfs/dbraw/zinc/23/42/15/1206234215.db2.gz FHDMHYJSNUZNOH-YLJYHZDGSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532280 1206236629 /nfs/dbraw/zinc/23/66/29/1206236629.db2.gz JYLMALUJAANBEK-SZVBFZGTSA-N 2 0 363.506 0.800 20 0 FCADRP C[NH+]1CCN(c2cccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@@H]45)n3)c2)CC1 ZINC001212629510 1206252537 /nfs/dbraw/zinc/25/25/37/1206252537.db2.gz LLUBCGHOPZXCHM-CABCVRRESA-N 2 0 354.414 0.811 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172014206 1206254792 /nfs/dbraw/zinc/25/47/92/1206254792.db2.gz VKGAHLUPUJUPLX-AWEZNQCLSA-N 2 0 365.474 0.736 20 0 FCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172164286 1206258405 /nfs/dbraw/zinc/25/84/05/1206258405.db2.gz YWRXYDHXZFOEHB-HUUCEWRRSA-N 2 0 365.474 0.736 20 0 FCADRP COC(=O)[C@H]1C[C@H]([NH2+]CCOCC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172261300 1206261110 /nfs/dbraw/zinc/26/11/10/1206261110.db2.gz UYXLJHSRXKDVHL-YESZJQIVSA-N 2 0 364.442 0.863 20 0 FCADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173745944 1206287213 /nfs/dbraw/zinc/28/72/13/1206287213.db2.gz WSILSWICUURIEQ-IRXDYDNUSA-N 2 0 370.498 0.535 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220573347 1224941842 /nfs/dbraw/zinc/94/18/42/1224941842.db2.gz VCIZYOKNJZQYBU-SQNIBIBYSA-N 2 0 365.522 0.490 20 0 FCADRP COCCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178517978 1206358196 /nfs/dbraw/zinc/35/81/96/1206358196.db2.gz CVOQWKCLLXNKIK-IAGOWNOFSA-N 2 0 370.538 0.746 20 0 FCADRP CN1CCN(c2ncccc2NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180607903 1206396735 /nfs/dbraw/zinc/39/67/35/1206396735.db2.gz NMJUIYBKJFLEBN-UHFFFAOYSA-N 2 0 374.489 0.359 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001182011921 1206419555 /nfs/dbraw/zinc/41/95/55/1206419555.db2.gz GUMOHYDZKJCGSB-HNNXBMFYSA-N 2 0 355.446 0.597 20 0 FCADRP C[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2)[NH+]1CCCC1 ZINC001273504559 1206481050 /nfs/dbraw/zinc/48/10/50/1206481050.db2.gz XUOKLEOVEPETLE-NVXWUHKLSA-N 2 0 360.502 0.626 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510676 1206487526 /nfs/dbraw/zinc/48/75/26/1206487526.db2.gz HPPUKUKJACWLQB-XWTMOSNGSA-N 2 0 360.502 0.482 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957977 1207405657 /nfs/dbraw/zinc/40/56/57/1207405657.db2.gz ATQSWODIIJHLME-BZZMCLGOSA-N 2 0 366.506 0.012 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956444 1207492232 /nfs/dbraw/zinc/49/22/32/1207492232.db2.gz JYKODWPLLWKWBV-SOUVJXGZSA-N 2 0 367.494 0.095 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001188962890 1207492930 /nfs/dbraw/zinc/49/29/30/1207492930.db2.gz JGBWUSDDZSEZHA-DLBZAZTESA-N 2 0 362.518 0.873 20 0 FCADRP CN(CC1CC1)C(=O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964139 1207493285 /nfs/dbraw/zinc/49/32/85/1207493285.db2.gz VYEYQYABQKNHMU-DLBZAZTESA-N 2 0 362.518 0.729 20 0 FCADRP COC(=O)[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001189823733 1207606367 /nfs/dbraw/zinc/60/63/67/1207606367.db2.gz VGXYRMPTVJQSAM-KRWDZBQOSA-N 2 0 364.490 0.906 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001189820145 1207606392 /nfs/dbraw/zinc/60/63/92/1207606392.db2.gz RVAHIPITURFNTC-RCCFBDPRSA-N 2 0 369.506 0.293 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801441 1207610392 /nfs/dbraw/zinc/61/03/92/1207610392.db2.gz GMLAMJBEDKRAFG-JKSUJKDBSA-N 2 0 363.506 0.323 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872303 1207613861 /nfs/dbraw/zinc/61/38/61/1207613861.db2.gz YFXISXHEVSOTLW-DLBZAZTESA-N 2 0 367.538 0.959 20 0 FCADRP CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189881767 1207614662 /nfs/dbraw/zinc/61/46/62/1207614662.db2.gz WOZLORLAOKCJLY-DLBZAZTESA-N 2 0 368.522 0.404 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)CC3)CC2 ZINC001273589475 1207623895 /nfs/dbraw/zinc/62/38/95/1207623895.db2.gz KRWWYBVYWYTWAN-UHFFFAOYSA-N 2 0 362.518 0.875 20 0 FCADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220682663 1225010921 /nfs/dbraw/zinc/01/09/21/1225010921.db2.gz FZWIYJUBQLPEKU-XJIUQZFPSA-N 2 0 370.457 0.793 20 0 FCADRP CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014972 1207816208 /nfs/dbraw/zinc/81/62/08/1207816208.db2.gz ZIYMOOUVWNBMIR-QRVBRYPASA-N 2 0 361.486 0.501 20 0 FCADRP CC(C)CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773613 1207887791 /nfs/dbraw/zinc/88/77/91/1207887791.db2.gz AHMDKJXTMAPPQI-BZUAXINKSA-N 2 0 368.522 0.183 20 0 FCADRP C[C@H]1CCCCN1C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791703 1207889071 /nfs/dbraw/zinc/88/90/71/1207889071.db2.gz PDMHADYALRYOSQ-USXIJHARSA-N 2 0 366.506 0.033 20 0 FCADRP CC[N@H+](C)CC(=O)N1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666111 1207893946 /nfs/dbraw/zinc/89/39/46/1207893946.db2.gz GSDJNCJGDCEPJN-INIZCTEOSA-N 2 0 366.506 0.014 20 0 FCADRP CC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001273666961 1207896429 /nfs/dbraw/zinc/89/64/29/1207896429.db2.gz XTQHGPXTMZVAIK-HGKCTWBKSA-N 2 0 364.534 0.975 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O)[NH+](C)C ZINC001194103371 1207919490 /nfs/dbraw/zinc/91/94/90/1207919490.db2.gz YVQORFOLBRLKRF-KZNAEPCWSA-N 2 0 361.486 0.666 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001195702118 1208036163 /nfs/dbraw/zinc/03/61/63/1208036163.db2.gz YWZRLMHMLPFIEZ-ARFHVFGLSA-N 2 0 363.458 0.330 20 0 FCADRP CCCCN(CCCC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871235 1208044911 /nfs/dbraw/zinc/04/49/11/1208044911.db2.gz OGYJKPFELCOAEB-IAGOWNOFSA-N 2 0 370.538 0.528 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1O)[NH+](C)C ZINC001195972608 1208048610 /nfs/dbraw/zinc/04/86/10/1208048610.db2.gz GLNCOLRTAOBGOE-GUDVDZBRSA-N 2 0 361.486 0.964 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123476 1208059526 /nfs/dbraw/zinc/05/95/26/1208059526.db2.gz SGEFWHKNIRQKDT-KZNAEPCWSA-N 2 0 365.522 0.727 20 0 FCADRP Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306768 1208070838 /nfs/dbraw/zinc/07/08/38/1208070838.db2.gz IXLVPFJROMWANL-IAOVAPTHSA-N 2 0 366.462 0.145 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O)C(C)C ZINC001197026082 1208132893 /nfs/dbraw/zinc/13/28/93/1208132893.db2.gz ZAJYUKZCZBTTLE-KURKYZTESA-N 2 0 365.522 0.756 20 0 FCADRP O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220736209 1225044733 /nfs/dbraw/zinc/04/47/33/1225044733.db2.gz DTMGFHMDVIPTKY-MSOLQXFVSA-N 2 0 358.486 0.882 20 0 FCADRP O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220736211 1225045670 /nfs/dbraw/zinc/04/56/70/1225045670.db2.gz DTMGFHMDVIPTKY-ROUUACIJSA-N 2 0 358.486 0.882 20 0 FCADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)CC2)cc1 ZINC001220743890 1225048545 /nfs/dbraw/zinc/04/85/45/1225048545.db2.gz UMKSBQUDWNJKSH-UWJYYQICSA-N 2 0 372.513 0.770 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038861 1208216643 /nfs/dbraw/zinc/21/66/43/1208216643.db2.gz VZNPJPLSRKFYBL-BRWVUGGUSA-N 2 0 368.522 0.281 20 0 FCADRP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220751785 1225054533 /nfs/dbraw/zinc/05/45/33/1225054533.db2.gz XPSRELBSXMBKSN-ODMWJAAVSA-N 3 0 374.488 0.899 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001110575686 1208482500 /nfs/dbraw/zinc/48/25/00/1208482500.db2.gz ZJLKZHNRNGWPSC-FGTAOJJYSA-N 2 0 362.518 0.964 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576740 1208484975 /nfs/dbraw/zinc/48/49/75/1208484975.db2.gz ZHDCDJBNSIDGKW-FGTAOJJYSA-N 2 0 366.506 0.201 20 0 FCADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220788850 1225073956 /nfs/dbraw/zinc/07/39/56/1225073956.db2.gz GUSBDEGTGTWXJV-FHWLQOOXSA-N 2 0 357.502 0.922 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489207278 1208671230 /nfs/dbraw/zinc/67/12/30/1208671230.db2.gz SWRAPAPXDQSLHB-CVEARBPZSA-N 2 0 351.495 0.134 20 0 FCADRP CCOC(=O)C1=C(NC(=O)C2(N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]C1 ZINC001220828820 1225092224 /nfs/dbraw/zinc/09/22/24/1225092224.db2.gz URSXYUGNPAZKNT-UHFFFAOYSA-N 2 0 372.469 0.517 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC ZINC001489534516 1208895921 /nfs/dbraw/zinc/89/59/21/1208895921.db2.gz DAXKQEVYUIWZPI-IAGOWNOFSA-N 2 0 368.522 0.546 20 0 FCADRP C[NH+](C)C1(CC(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)CCCC1 ZINC001489610124 1208971575 /nfs/dbraw/zinc/97/15/75/1208971575.db2.gz ULESUTYBSAUGMT-OAGGEKHMSA-N 2 0 366.506 0.033 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2O)CCC1 ZINC001489589441 1209008937 /nfs/dbraw/zinc/00/89/37/1209008937.db2.gz GWJLWXDSVDIVAU-CVEARBPZSA-N 2 0 366.506 0.035 20 0 FCADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001220855420 1225109013 /nfs/dbraw/zinc/10/90/13/1225109013.db2.gz XRMDZWCSOBQUSI-OXJNMPFZSA-N 2 0 350.422 0.871 20 0 FCADRP CN(c1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1)C1CC[NH+](C)CC1 ZINC000850836028 1209491727 /nfs/dbraw/zinc/49/17/27/1209491727.db2.gz HEKREGCQWSYGKD-HNNXBMFYSA-N 2 0 359.474 0.634 20 0 FCADRP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)NCCO[C@@H]3CC[NH2+]C3)ccc2O1 ZINC001220936250 1225148713 /nfs/dbraw/zinc/14/87/13/1225148713.db2.gz DOECZRXPFWQEMZ-CVEARBPZSA-N 2 0 363.458 0.696 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936550 1225148803 /nfs/dbraw/zinc/14/88/03/1225148803.db2.gz HBZSOBPNOGRTKR-MSOLQXFVSA-N 2 0 357.458 0.296 20 0 FCADRP COc1cc(-c2noc(-c3cn(CC[NH3+])nn3)n2)ccc1OCC[NH+](C)C ZINC000854144713 1209616696 /nfs/dbraw/zinc/61/66/96/1209616696.db2.gz FPNMGXBODOKZMG-UHFFFAOYSA-N 2 0 373.417 0.903 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001110796453 1209863993 /nfs/dbraw/zinc/86/39/93/1209863993.db2.gz MBOPLJOYLDWZSD-NXHRZFHOSA-N 2 0 371.441 0.611 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861573674 1209871694 /nfs/dbraw/zinc/87/16/94/1209871694.db2.gz JLXKVNKQAXUCCE-RCCFBDPRSA-N 2 0 366.506 0.650 20 0 FCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683827 1209874295 /nfs/dbraw/zinc/87/42/95/1209874295.db2.gz BDKPTBRHEQJOAA-IEBWSBKVSA-N 2 0 362.474 0.253 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000861730043 1209877905 /nfs/dbraw/zinc/87/79/05/1209877905.db2.gz JZNOOVBGKJNHNN-GXTWGEPZSA-N 2 0 366.462 0.228 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000861756682 1209880280 /nfs/dbraw/zinc/88/02/80/1209880280.db2.gz GHTONPHDZVPCLS-MRXNPFEDSA-N 2 0 361.490 0.121 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975941 1225169810 /nfs/dbraw/zinc/16/98/10/1225169810.db2.gz BRQZGVNVXUZSPC-QRVBRYPASA-N 2 0 361.486 0.706 20 0 FCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000866044137 1209990158 /nfs/dbraw/zinc/99/01/58/1209990158.db2.gz PCXOQWGFQWGGNC-OEXSFMSHSA-N 2 0 370.513 0.922 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc2F)CC1 ZINC000868257332 1210047834 /nfs/dbraw/zinc/04/78/34/1210047834.db2.gz XKAJENDAAXTCSU-CYBMUJFWSA-N 2 0 365.453 0.630 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1)[NH+](C)C ZINC000871461176 1210156493 /nfs/dbraw/zinc/15/64/93/1210156493.db2.gz GVFZFWXYYBDTNP-BBWFWOEESA-N 2 0 370.538 0.502 20 0 FCADRP C[C@@H](C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000871466668 1210156892 /nfs/dbraw/zinc/15/68/92/1210156892.db2.gz XJRPGUNAJHEYLS-RLFYNMQTSA-N 2 0 360.502 0.956 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875168484 1210346252 /nfs/dbraw/zinc/34/62/52/1210346252.db2.gz WOJXZNIVCCGGNR-INIZCTEOSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073226 1225210051 /nfs/dbraw/zinc/21/00/51/1225210051.db2.gz LQENEDSLWBKIGF-KURKYZTESA-N 2 0 371.522 0.057 20 0 FCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876981598 1210435770 /nfs/dbraw/zinc/43/57/70/1210435770.db2.gz WPEXTOYJNVNOTN-IIAWOOMASA-N 2 0 360.506 0.899 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000877199658 1210439484 /nfs/dbraw/zinc/43/94/84/1210439484.db2.gz ZKGCSJNMKANCPO-NEPJUHHUSA-N 2 0 371.363 0.744 20 0 FCADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)c1 ZINC001221091994 1225219127 /nfs/dbraw/zinc/21/91/27/1225219127.db2.gz KDXPDGJOOVKRNX-VQIMIIECSA-N 3 0 358.486 0.671 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)cc2)CC1 ZINC000879996635 1210509520 /nfs/dbraw/zinc/50/95/20/1210509520.db2.gz KIQVMGBQLVCIDV-IBGZPJMESA-N 2 0 360.502 0.621 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(C[NH2+]C)nn3)cc2)CC1 ZINC000881390606 1210587090 /nfs/dbraw/zinc/58/70/90/1210587090.db2.gz WHMYAEYNTLUQQM-UHFFFAOYSA-N 2 0 357.462 0.778 20 0 FCADRP C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000883112887 1210653079 /nfs/dbraw/zinc/65/30/79/1210653079.db2.gz BONCSJAQEYLGTC-MRXNPFEDSA-N 2 0 374.489 0.466 20 0 FCADRP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000883333038 1210662826 /nfs/dbraw/zinc/66/28/26/1210662826.db2.gz JXJHHJCULSCSNH-SFHVURJKSA-N 2 0 367.538 0.424 20 0 FCADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCC2)N1CCN(c2ncccn2)CC1 ZINC000883458521 1210669209 /nfs/dbraw/zinc/66/92/09/1210669209.db2.gz MYTJNWUTVMPIGJ-UHFFFAOYSA-N 2 0 358.490 0.733 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883605318 1210673872 /nfs/dbraw/zinc/67/38/72/1210673872.db2.gz RYEHKWLTJRRGNZ-SJLPKXTDSA-N 2 0 371.485 0.778 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883611511 1210675228 /nfs/dbraw/zinc/67/52/28/1210675228.db2.gz AJBNIYOPUTYXQC-RHSMWYFYSA-N 2 0 359.474 0.715 20 0 FCADRP C[NH+](C)CCOCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883639182 1210677368 /nfs/dbraw/zinc/67/73/68/1210677368.db2.gz IIFKNCFYURGVRH-UHFFFAOYSA-N 2 0 369.510 0.080 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000883640753 1210677818 /nfs/dbraw/zinc/67/78/18/1210677818.db2.gz YAMNEASLOVKJBI-OWCLPIDISA-N 2 0 359.474 0.562 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cc[nH+]cc1 ZINC000883643492 1210678084 /nfs/dbraw/zinc/67/80/84/1210678084.db2.gz NAOQOWBFOYXDKK-UZLBHIALSA-N 2 0 371.485 0.721 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)C1 ZINC000883646644 1210678617 /nfs/dbraw/zinc/67/86/17/1210678617.db2.gz XMMASIQVQJBPTE-SJORKVTESA-N 2 0 368.522 0.546 20 0 FCADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221123731 1225230573 /nfs/dbraw/zinc/23/05/73/1225230573.db2.gz HUEMRYWWXHWGJL-SJLPKXTDSA-N 2 0 357.502 0.850 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000883659810 1210682724 /nfs/dbraw/zinc/68/27/24/1210682724.db2.gz UCRRSQZXOMWSEG-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000884210811 1210723510 /nfs/dbraw/zinc/72/35/10/1210723510.db2.gz KGFKCXWXOIJQIE-UHFFFAOYSA-N 2 0 374.485 0.665 20 0 FCADRP COCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000884217258 1210724344 /nfs/dbraw/zinc/72/43/44/1210724344.db2.gz JXBWAMYUXKWLIR-QGZVFWFLSA-N 2 0 362.474 0.492 20 0 FCADRP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884389547 1210732765 /nfs/dbraw/zinc/73/27/65/1210732765.db2.gz AFQJIBBNAPDIAA-HRCADAONSA-N 2 0 361.490 0.719 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000884503465 1210740230 /nfs/dbraw/zinc/74/02/30/1210740230.db2.gz LZLPSKMROZPVNA-BPQIPLTHSA-N 2 0 358.486 0.615 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884504042 1210740288 /nfs/dbraw/zinc/74/02/88/1210740288.db2.gz ZQAPDVXKZLASPF-BHIYHBOVSA-N 2 0 372.513 0.720 20 0 FCADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000884504020 1210740568 /nfs/dbraw/zinc/74/05/68/1210740568.db2.gz ZEEFKJSQUHZDMF-KRWDZBQOSA-N 2 0 360.502 0.911 20 0 FCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000884507913 1210740972 /nfs/dbraw/zinc/74/09/72/1210740972.db2.gz PPOWACPVHNCVPO-RIFZZMRRSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884509577 1210741820 /nfs/dbraw/zinc/74/18/20/1210741820.db2.gz JWDGSFIYRWEZQA-JQFCIGGWSA-N 2 0 357.458 0.296 20 0 FCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000884518365 1210743988 /nfs/dbraw/zinc/74/39/88/1210743988.db2.gz NDPUUGYENHABNV-ROUUACIJSA-N 2 0 374.485 0.596 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000884531169 1210745140 /nfs/dbraw/zinc/74/51/40/1210745140.db2.gz FQOLMQOLLKPMAW-DOTOQJQBSA-N 2 0 366.506 0.204 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)Cc2ccccc2C1 ZINC000884566208 1210752693 /nfs/dbraw/zinc/75/26/93/1210752693.db2.gz DGISGHAVZYYZSF-FXAWDEMLSA-N 2 0 370.497 0.270 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884571961 1210754662 /nfs/dbraw/zinc/75/46/62/1210754662.db2.gz BTMPNXYBBNJMMV-WZGPROSRSA-N 2 0 370.497 0.976 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576919 1210755542 /nfs/dbraw/zinc/75/55/42/1210755542.db2.gz TUFQNBHVIRSFCP-MAUKXSAKSA-N 2 0 358.486 0.665 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884577365 1210755908 /nfs/dbraw/zinc/75/59/08/1210755908.db2.gz DHKIRHMFCVZPMB-QAPCUYQASA-N 2 0 358.486 0.808 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000884604763 1210760858 /nfs/dbraw/zinc/76/08/58/1210760858.db2.gz OHIIAUAGZYBFBT-BPQIPLTHSA-N 2 0 358.486 0.834 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616985 1210763727 /nfs/dbraw/zinc/76/37/27/1210763727.db2.gz FULRSSNUCJSOGK-JKSUJKDBSA-N 2 0 366.506 0.252 20 0 FCADRP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000884626797 1210766160 /nfs/dbraw/zinc/76/61/60/1210766160.db2.gz VINWIHDHHYCHRD-KZNAEPCWSA-N 2 0 358.486 0.806 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000884630076 1210767585 /nfs/dbraw/zinc/76/75/85/1210767585.db2.gz WYZXBDDESZUIKO-CALCHBBNSA-N 2 0 374.485 0.596 20 0 FCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631626 1210767613 /nfs/dbraw/zinc/76/76/13/1210767613.db2.gz QOIZAUDDAOCCEP-MSOLQXFVSA-N 2 0 356.470 0.418 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000884646577 1210772150 /nfs/dbraw/zinc/77/21/50/1210772150.db2.gz XLFYBALDTLBVLY-CNTRQJEFSA-N 2 0 370.497 0.834 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000884649449 1210772191 /nfs/dbraw/zinc/77/21/91/1210772191.db2.gz DBHWCFAHZYHQIN-IEBWSBKVSA-N 2 0 370.497 0.950 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000884646580 1210772274 /nfs/dbraw/zinc/77/22/74/1210772274.db2.gz XLFYBALDTLBVLY-QUJKESNLSA-N 2 0 370.497 0.834 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884656321 1210773166 /nfs/dbraw/zinc/77/31/66/1210773166.db2.gz BZCRKVXNUQMEID-CVEARBPZSA-N 2 0 366.506 0.345 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000884668537 1210775217 /nfs/dbraw/zinc/77/52/17/1210775217.db2.gz VWLCPRGJIVZVPY-LSDHHAIUSA-N 2 0 368.428 0.767 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884674407 1210776892 /nfs/dbraw/zinc/77/68/92/1210776892.db2.gz VEAIUTYOFXODOP-NXHRZFHOSA-N 2 0 358.486 0.739 20 0 FCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000884678506 1210778389 /nfs/dbraw/zinc/77/83/89/1210778389.db2.gz DKKYUVYSFLOHMM-ZWKOTPCHSA-N 2 0 374.485 0.166 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694349 1210783198 /nfs/dbraw/zinc/78/31/98/1210783198.db2.gz JXPOIRBRXKRTGG-ZWKOTPCHSA-N 2 0 358.486 0.944 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000884718191 1210787649 /nfs/dbraw/zinc/78/76/49/1210787649.db2.gz WVSRWQBOWMWAPY-NXHRZFHOSA-N 2 0 358.486 0.942 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721119 1210789062 /nfs/dbraw/zinc/78/90/62/1210789062.db2.gz AUSFCQOSGKSLCM-QFBILLFUSA-N 2 0 370.497 0.907 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833037 1210799794 /nfs/dbraw/zinc/79/97/94/1210799794.db2.gz FIKFFAQDCCXLMM-XTIMDLJNSA-N 2 0 370.497 0.820 20 0 FCADRP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221151793 1225241484 /nfs/dbraw/zinc/24/14/84/1225241484.db2.gz MHLJHUOZJVCEIJ-OXQOHEQNSA-N 2 0 371.485 0.804 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884848302 1210801257 /nfs/dbraw/zinc/80/12/57/1210801257.db2.gz UCSPCWLMDPVMSN-KRWDZBQOSA-N 2 0 358.486 0.938 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850758 1210801499 /nfs/dbraw/zinc/80/14/99/1210801499.db2.gz AAWQRIMKNFALPP-HKUYNNGSSA-N 2 0 370.497 0.891 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884891827 1210803370 /nfs/dbraw/zinc/80/33/70/1210803370.db2.gz OISZQCPCURFZIH-NJAFHUGGSA-N 2 0 360.502 0.861 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968808 1210805694 /nfs/dbraw/zinc/80/56/94/1210805694.db2.gz VODRBBPBOQECAE-CVEARBPZSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968814 1210805763 /nfs/dbraw/zinc/80/57/63/1210805763.db2.gz VODRBBPBOQECAE-HZPDHXFCSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884972924 1210806106 /nfs/dbraw/zinc/80/61/06/1210806106.db2.gz VTGLPCFDXCWXSS-OAHLLOKOSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000884982634 1210806408 /nfs/dbraw/zinc/80/64/08/1210806408.db2.gz GXTYIBDYDFBRME-QZTJIDSGSA-N 2 0 374.485 0.262 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884982907 1210806454 /nfs/dbraw/zinc/80/64/54/1210806454.db2.gz LKLZHGLWZFMMFJ-NJAFHUGGSA-N 2 0 374.485 0.260 20 0 FCADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000884983731 1210807169 /nfs/dbraw/zinc/80/71/69/1210807169.db2.gz UZEGJICYHFQLGB-QGZVFWFLSA-N 2 0 358.486 0.896 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885011337 1210807604 /nfs/dbraw/zinc/80/76/04/1210807604.db2.gz KNWPMKYDYSDZBM-MUJYYYPQSA-N 2 0 366.506 0.202 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153878 1210813147 /nfs/dbraw/zinc/81/31/47/1210813147.db2.gz MTIFQMFPZBYGHJ-QAPCUYQASA-N 2 0 358.486 0.665 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885163186 1210814585 /nfs/dbraw/zinc/81/45/85/1210814585.db2.gz XZTISUHTAZBPDB-MSOLQXFVSA-N 2 0 358.486 0.806 20 0 FCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000885167992 1210814617 /nfs/dbraw/zinc/81/46/17/1210814617.db2.gz RZURUCXOPVBAQO-MOPGFXCFSA-N 2 0 370.497 0.904 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000885290557 1210817594 /nfs/dbraw/zinc/81/75/94/1210817594.db2.gz DWZUTEDZGPXCPT-GJZGRUSLSA-N 2 0 372.460 0.824 20 0 FCADRP COC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCOC1 ZINC000886904125 1210839786 /nfs/dbraw/zinc/83/97/86/1210839786.db2.gz PFBQHFSKDPZXLX-BZSNNMDCSA-N 2 0 371.522 0.491 20 0 FCADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154302 1225242800 /nfs/dbraw/zinc/24/28/00/1225242800.db2.gz KTJZEIFJGZSVPV-MSOLQXFVSA-N 2 0 363.506 0.390 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000886990595 1210841708 /nfs/dbraw/zinc/84/17/08/1210841708.db2.gz QLXYYABRQIJVDX-HNNXBMFYSA-N 2 0 359.474 0.587 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000887006978 1210842515 /nfs/dbraw/zinc/84/25/15/1210842515.db2.gz AJSGZCHDRWVNIQ-CQSZACIVSA-N 2 0 366.437 0.915 20 0 FCADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064184 1210844451 /nfs/dbraw/zinc/84/44/51/1210844451.db2.gz BRVBYJJXSFCBFU-RDGPPVDQSA-N 2 0 368.481 0.540 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[C@H]1[NH3+] ZINC000887091375 1210846994 /nfs/dbraw/zinc/84/69/94/1210846994.db2.gz ITVRUZLHQGYNIJ-ZMSDIMECSA-N 2 0 359.474 0.705 20 0 FCADRP [NH3+][C@H]1CCCN(Cc2cn(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451470 1210858629 /nfs/dbraw/zinc/85/86/29/1210858629.db2.gz NHTFQVVDSPNLPL-ICSRJNTNSA-N 2 0 370.501 0.838 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274084350 1210876060 /nfs/dbraw/zinc/87/60/60/1210876060.db2.gz TYXIYSUYCRMRKZ-VMEOHVCESA-N 2 0 362.518 0.966 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@@H]2C[NH+]4CCC2CC4)C3)CC1 ZINC001274098481 1210880092 /nfs/dbraw/zinc/88/00/92/1210880092.db2.gz PJPGQYDCRUYZEN-SJORKVTESA-N 2 0 360.502 0.387 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000887632302 1210883934 /nfs/dbraw/zinc/88/39/34/1210883934.db2.gz KBAHBUJXRVNGPC-JKSUJKDBSA-N 2 0 369.510 0.105 20 0 FCADRP C[C@@H](C(=O)N1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1)[NH+](C)C ZINC001274157158 1210898969 /nfs/dbraw/zinc/89/89/69/1210898969.db2.gz IUCFCCOXMWMFER-ZDUSSCGKSA-N 2 0 361.490 0.674 20 0 FCADRP C[C@@H](C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC001274161187 1210901110 /nfs/dbraw/zinc/90/11/10/1210901110.db2.gz LOIRGWJGBSJBOI-CUSZFKRNSA-N 2 0 364.534 0.974 20 0 FCADRP CC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274179513 1210904854 /nfs/dbraw/zinc/90/48/54/1210904854.db2.gz NXZVFHNXQTYYSZ-RZQQEMMASA-N 2 0 362.518 0.777 20 0 FCADRP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)C4(O)CC[NH+](C)CC4)C3)C2)n(C)n1 ZINC001274203644 1210911703 /nfs/dbraw/zinc/91/17/03/1210911703.db2.gz NVSGHCPHLRSBEN-UHFFFAOYSA-N 2 0 361.490 0.220 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134544 1210967069 /nfs/dbraw/zinc/96/70/69/1210967069.db2.gz ZVHATPZGCRWEIH-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890142624 1210969605 /nfs/dbraw/zinc/96/96/05/1210969605.db2.gz CWQZDDVWJMPSFL-SFHVURJKSA-N 2 0 367.538 0.519 20 0 FCADRP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831027 1210987033 /nfs/dbraw/zinc/98/70/33/1210987033.db2.gz PLFYVNFEMCOTLB-COXLTSFISA-N 2 0 363.502 0.998 20 0 FCADRP CC[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCn2ccnc2)C3)CC1 ZINC001274369583 1211038178 /nfs/dbraw/zinc/03/81/78/1211038178.db2.gz INDWCADCNIOGGM-UHFFFAOYSA-N 2 0 360.506 0.055 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2 ZINC001274419044 1211050123 /nfs/dbraw/zinc/05/01/23/1211050123.db2.gz PQDUESQEUJWZFF-KSZLIROESA-N 2 0 359.474 0.137 20 0 FCADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001221190476 1225262286 /nfs/dbraw/zinc/26/22/86/1225262286.db2.gz OYHAVCUPFHHSGR-SJORKVTESA-N 2 0 374.485 0.105 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143004 1211179157 /nfs/dbraw/zinc/17/91/57/1211179157.db2.gz QLKNPXQSKTYUNN-ICSRJNTNSA-N 2 0 364.534 0.585 20 0 FCADRP O=C1CC[C@@H](C[N@@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3=O)CC2)N1 ZINC001275149224 1211181615 /nfs/dbraw/zinc/18/16/15/1211181615.db2.gz VCVSIEQDTWBWJH-QFBILLFUSA-N 2 0 359.474 0.866 20 0 FCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172602 1211188580 /nfs/dbraw/zinc/18/85/80/1211188580.db2.gz ZWPFSMMYMWEVDB-IEBWSBKVSA-N 2 0 360.506 0.470 20 0 FCADRP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176153 1211189679 /nfs/dbraw/zinc/18/96/79/1211189679.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 2 0 365.566 0.498 20 0 FCADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275325814 1211215285 /nfs/dbraw/zinc/21/52/85/1211215285.db2.gz REVNJMKMANAWFH-QWFCFKBJSA-N 2 0 364.534 0.583 20 0 FCADRP COc1ncc(C[N@@H+]2CC[C@@]3(CCN(CCn4ccnc4)C3=O)C2)cn1 ZINC001275365887 1211223693 /nfs/dbraw/zinc/22/36/93/1211223693.db2.gz QUQHOAAAALAJNM-GOSISDBHSA-N 2 0 356.430 0.806 20 0 FCADRP COc1ncccc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275378694 1211225663 /nfs/dbraw/zinc/22/56/63/1211225663.db2.gz BQQCHVIQEVNBPY-LJQANCHMSA-N 2 0 360.458 0.993 20 0 FCADRP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001275556449 1211256576 /nfs/dbraw/zinc/25/65/76/1211256576.db2.gz KYHOOCXWKPPONJ-BRWVUGGUSA-N 2 0 367.490 0.582 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556955 1211256586 /nfs/dbraw/zinc/25/65/86/1211256586.db2.gz QXHKOCVEHTZZLP-LPHOPBHVSA-N 2 0 367.490 0.583 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)CC1 ZINC001275555459 1211256904 /nfs/dbraw/zinc/25/69/04/1211256904.db2.gz BLJGNVHOQBXOPA-RTBURBONSA-N 2 0 364.534 0.726 20 0 FCADRP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557088 1211257100 /nfs/dbraw/zinc/25/71/00/1211257100.db2.gz UXCBXXPZBQHKOQ-QFBILLFUSA-N 2 0 367.490 0.441 20 0 FCADRP COc1cc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1O ZINC001275641224 1211267466 /nfs/dbraw/zinc/26/74/66/1211267466.db2.gz FWUURVYYIYFFCO-IBGZPJMESA-N 2 0 363.458 0.766 20 0 FCADRP O=C1C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1ccnc1 ZINC001275738217 1211279132 /nfs/dbraw/zinc/27/91/32/1211279132.db2.gz VWOTWCZSPCHGHE-IBGZPJMESA-N 2 0 359.474 0.724 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C4CC[NH+](C5CC5)CC4)CC3)[C@@H]2C1 ZINC001275856979 1211298826 /nfs/dbraw/zinc/29/88/26/1211298826.db2.gz PEDYOLHXYPVHAW-IAGOWNOFSA-N 2 0 360.502 0.530 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN(CC(OC)OC)C(=O)CO3)CC1 ZINC001275877590 1211304010 /nfs/dbraw/zinc/30/40/10/1211304010.db2.gz DDPDRJSWPZPISM-LJQANCHMSA-N 2 0 369.506 0.641 20 0 FCADRP CC(=O)N1CCC(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275893000 1211307483 /nfs/dbraw/zinc/30/74/83/1211307483.db2.gz NSIKFCRGSGJHFH-IBGZPJMESA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001275940725 1211314283 /nfs/dbraw/zinc/31/42/83/1211314283.db2.gz GBPZKIIKPLOFNL-INIZCTEOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+](C)C1(C(=O)N2Cc3n[nH]c(C(=O)NC4CC[NH+](C)CC4)c3C2)CC1 ZINC001275942412 1211314983 /nfs/dbraw/zinc/31/49/83/1211314983.db2.gz ZGHFXACKTBEJAV-UHFFFAOYSA-N 2 0 360.462 0.170 20 0 FCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001221254370 1225281930 /nfs/dbraw/zinc/28/19/30/1225281930.db2.gz MVUKMFWVJFSYGM-LRDDRELGSA-N 2 0 359.426 0.826 20 0 FCADRP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247538 1211391939 /nfs/dbraw/zinc/39/19/39/1211391939.db2.gz PQTSMAPXHBBIGI-UGSOOPFHSA-N 2 0 362.430 0.570 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000924442138 1211469768 /nfs/dbraw/zinc/46/97/68/1211469768.db2.gz VGAPJXDMYUNNRD-KRWDZBQOSA-N 2 0 359.474 0.286 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000924657396 1211476419 /nfs/dbraw/zinc/47/64/19/1211476419.db2.gz BPOJYLNWTRFDOT-QGZVFWFLSA-N 2 0 374.489 0.596 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000924721950 1211478349 /nfs/dbraw/zinc/47/83/49/1211478349.db2.gz ITSPFCBNPSFQCK-QGZVFWFLSA-N 2 0 360.458 0.625 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000924779357 1211480633 /nfs/dbraw/zinc/48/06/33/1211480633.db2.gz YZYPRSYFJFQZLC-CQSZACIVSA-N 2 0 367.494 0.095 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000925494659 1211501892 /nfs/dbraw/zinc/50/18/92/1211501892.db2.gz LNFSJFASDSJMEI-HOTGVXAUSA-N 2 0 359.474 0.529 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000926192646 1211521435 /nfs/dbraw/zinc/52/14/35/1211521435.db2.gz MFHGDEAXETVDQY-WWNBULGVSA-N 2 0 367.534 0.941 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926393356 1211545414 /nfs/dbraw/zinc/54/54/14/1211545414.db2.gz DGCZNIJHZDSQCT-MOPGFXCFSA-N 2 0 372.513 0.959 20 0 FCADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)CCO2 ZINC000927637551 1211577013 /nfs/dbraw/zinc/57/70/13/1211577013.db2.gz WFLVVCNUGPPRRZ-QGZVFWFLSA-N 2 0 366.506 0.746 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221330805 1225299456 /nfs/dbraw/zinc/29/94/56/1225299456.db2.gz AAVMXEHIGPDJDT-OALUTQOASA-N 2 0 366.465 0.585 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000929410620 1211637555 /nfs/dbraw/zinc/63/75/55/1211637555.db2.gz CYEGJRZNPXJYMB-SFHVURJKSA-N 2 0 373.501 0.135 20 0 FCADRP CN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000929976080 1211677281 /nfs/dbraw/zinc/67/72/81/1211677281.db2.gz YFSMZFJXCHAXFC-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001221408573 1225307253 /nfs/dbraw/zinc/30/72/53/1225307253.db2.gz ACUVECWFHUTZDT-IAGOWNOFSA-N 2 0 370.457 0.508 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC001110979760 1211683372 /nfs/dbraw/zinc/68/33/72/1211683372.db2.gz BZRUKBMZNCSAJF-AHCXZYCDSA-N 2 0 369.506 0.216 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000931567343 1211760925 /nfs/dbraw/zinc/76/09/25/1211760925.db2.gz QKVZKNDKVDLGJC-MRXNPFEDSA-N 2 0 363.510 0.688 20 0 FCADRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931654904 1211768461 /nfs/dbraw/zinc/76/84/61/1211768461.db2.gz TXCLTIYWDAVNGH-HZPDHXFCSA-N 2 0 358.486 0.915 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1ccc2c[nH+]cn2c1 ZINC001095767455 1211980012 /nfs/dbraw/zinc/98/00/12/1211980012.db2.gz FNLZUQQMTCCPFR-PVAVHDDUSA-N 2 0 351.414 0.961 20 0 FCADRP CC[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2 ZINC001095772606 1211988038 /nfs/dbraw/zinc/98/80/38/1211988038.db2.gz XEHNTUVFBUVIRT-DYWXZXKOSA-N 2 0 359.474 0.747 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@@H+]1C ZINC000947664795 1212062894 /nfs/dbraw/zinc/06/28/94/1212062894.db2.gz MQAJVMYINCYDGY-MDYRTPRTSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274882 1212194154 /nfs/dbraw/zinc/19/41/54/1212194154.db2.gz MEBCHWNGPYJGJP-MLHJIOFPSA-N 2 0 366.506 0.202 20 0 FCADRP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111281323 1212233261 /nfs/dbraw/zinc/23/32/61/1212233261.db2.gz MZOMTUGEVAMAMC-HZMVEIRTSA-N 2 0 366.506 0.202 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282411 1212235873 /nfs/dbraw/zinc/23/58/73/1212235873.db2.gz OPAHWOXVKUCNBT-XDNAFOTISA-N 2 0 365.518 0.837 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+]([C@@H](C)C(N)=O)CC3)C2)CC[N@@H+]1C ZINC000949098799 1212291297 /nfs/dbraw/zinc/29/12/97/1212291297.db2.gz FNDVXKUMBZAIOP-HRCADAONSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000949516248 1212399932 /nfs/dbraw/zinc/39/99/32/1212399932.db2.gz SJXHDEBDTHSSQT-QBPKDAKJSA-N 2 0 362.518 0.918 20 0 FCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298501 1212494018 /nfs/dbraw/zinc/49/40/18/1212494018.db2.gz AERFARSHGUNZRG-XDNAFOTISA-N 2 0 371.522 0.464 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC000950786344 1212670477 /nfs/dbraw/zinc/67/04/77/1212670477.db2.gz TVVOKIJZXLCCTB-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC(C)(C)C2)O1 ZINC000950790176 1212675270 /nfs/dbraw/zinc/67/52/70/1212675270.db2.gz ZRPJXEWNZSGWIO-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000950805846 1212681677 /nfs/dbraw/zinc/68/16/77/1212681677.db2.gz XPKUVTPUEDZVQE-MDYRTPRTSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410816 1213070735 /nfs/dbraw/zinc/07/07/35/1213070735.db2.gz ZYERTLJIXAHNKN-DJIMGWMZSA-N 2 0 366.506 0.105 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000954412439 1213071909 /nfs/dbraw/zinc/07/19/09/1213071909.db2.gz IKSIUVZOPBIDAR-OKZBNKHCSA-N 2 0 362.518 0.728 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCc4nccn43)C2)CC[N@@H+]1C ZINC000954510758 1213080617 /nfs/dbraw/zinc/08/06/17/1213080617.db2.gz DNECUEZLCCUVDB-BMFZPTHFSA-N 2 0 359.474 0.770 20 0 FCADRP CN(CCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001221659643 1225422959 /nfs/dbraw/zinc/42/29/59/1225422959.db2.gz SZKLURHSXFFETL-SJLPKXTDSA-N 2 0 362.474 0.450 20 0 FCADRP CN(CCC(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)c1cc[nH+]cc1 ZINC001221662531 1225423900 /nfs/dbraw/zinc/42/39/00/1225423900.db2.gz QQFSPIGMSQHSCB-SJLPKXTDSA-N 2 0 369.473 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000957096035 1213251480 /nfs/dbraw/zinc/25/14/80/1213251480.db2.gz BHKHKJXHFHJNNM-IIAWOOMASA-N 2 0 359.474 0.676 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)Cc1cncn1C ZINC000957364053 1213294935 /nfs/dbraw/zinc/29/49/35/1213294935.db2.gz CBPPKHQOWOTSBL-CXAGYDPISA-N 2 0 366.425 0.887 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000958217960 1213391127 /nfs/dbraw/zinc/39/11/27/1213391127.db2.gz BUTZFZZHWIIXCU-NVXWUHKLSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[NH+]1CCC2(CCC(=O)N(CCCN3CC[NH+](C)CC3)C2)CC1 ZINC001276357421 1213446350 /nfs/dbraw/zinc/44/63/50/1213446350.db2.gz LPOZUNYKSOZYDU-UHFFFAOYSA-N 2 0 366.550 0.975 20 0 FCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001221771840 1225476573 /nfs/dbraw/zinc/47/65/73/1225476573.db2.gz HXAMNJBBQJYWBR-HUUCEWRRSA-N 2 0 362.474 0.010 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)[NH+](C)C ZINC000960410350 1213745455 /nfs/dbraw/zinc/74/54/55/1213745455.db2.gz RNHTXTVXURLWLL-JZXOWHBKSA-N 2 0 366.506 0.107 20 0 FCADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21)[NH+](C)C ZINC000960661957 1213876524 /nfs/dbraw/zinc/87/65/24/1213876524.db2.gz GCCIOXCXMASIGG-YESZJQIVSA-N 2 0 366.506 0.107 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000418936010 1213927323 /nfs/dbraw/zinc/92/73/23/1213927323.db2.gz BCYPJUGHVODLGB-OXQOHEQNSA-N 2 0 358.486 0.978 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)NC2CC2)CC3)CC[N@@H+]1C ZINC001016631567 1214025643 /nfs/dbraw/zinc/02/56/43/1214025643.db2.gz VDYVRIGIFANNIB-BBWFWOEESA-N 2 0 362.518 0.966 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4CC[NH+](C)CC4)C3)C2)CC[N@@H+]1C ZINC001019156496 1214210241 /nfs/dbraw/zinc/21/02/41/1214210241.db2.gz HSDYQUQWJIOMBL-NVXWUHKLSA-N 2 0 362.518 0.729 20 0 FCADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416777 1214239837 /nfs/dbraw/zinc/23/98/37/1214239837.db2.gz XSXBGVZQZVUTGP-UHOSZYNNSA-N 2 0 368.485 0.851 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[N@H+]4CCC[C@@H]4C)C3)C2)CC[NH+]1C ZINC001019441259 1214242592 /nfs/dbraw/zinc/24/25/92/1214242592.db2.gz HOZWRWUTHFCLRY-GVDBMIGSSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCN(CCCN2C[C@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376187 1214324008 /nfs/dbraw/zinc/32/40/08/1214324008.db2.gz ZVEOLEILLIVFAL-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)ccc2c[nH+]cn21 ZINC000961965199 1214380775 /nfs/dbraw/zinc/38/07/75/1214380775.db2.gz RAKNBLJNEPKGRX-ZACQAIPSSA-N 2 0 371.441 0.038 20 0 FCADRP Cc1ncc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)CC2 ZINC001095934501 1214458902 /nfs/dbraw/zinc/45/89/02/1214458902.db2.gz QLCMNOVUCSGWRL-MVJTYMMSSA-N 2 0 369.473 0.767 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC001040208702 1214484953 /nfs/dbraw/zinc/48/49/53/1214484953.db2.gz BOOVXGVNCYSLIZ-MBOZVWFJSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000963072313 1214726150 /nfs/dbraw/zinc/72/61/50/1214726150.db2.gz ACDOXVMUYWAMKT-PMPSAXMXSA-N 2 0 366.506 0.031 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cc2ncc[nH]2)CC[N@@H+]1C ZINC000963153943 1214752380 /nfs/dbraw/zinc/75/23/80/1214752380.db2.gz NKQADTXTMAKAHX-FPCVCCKLSA-N 2 0 359.474 0.884 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963485363 1214813734 /nfs/dbraw/zinc/81/37/34/1214813734.db2.gz AXJCOSCSWRZSGP-BBWFWOEESA-N 2 0 366.506 0.033 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962775 1225555707 /nfs/dbraw/zinc/55/57/07/1225555707.db2.gz VPQHZXXYJJGLJE-KZNAEPCWSA-N 2 0 371.522 0.275 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCN(C)C2=O)C3)CC[N@@H+]1C ZINC000963823423 1214859064 /nfs/dbraw/zinc/85/90/64/1214859064.db2.gz JTYVVYJWOJCZBR-IGQNVKQNSA-N 2 0 362.518 0.964 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966370158 1215170800 /nfs/dbraw/zinc/17/08/00/1215170800.db2.gz RLWWAHBVCGLAJV-ZACQAIPSSA-N 2 0 366.506 0.033 20 0 FCADRP CCOC(=O)[C@@]12CN(Cc3cnc4n3CC[NH2+]CC4)C[C@@H]1C[NH2+]CCC2 ZINC001222125625 1225602776 /nfs/dbraw/zinc/60/27/76/1225602776.db2.gz RJMWJRHAXSIFBR-KXBFYZLASA-N 2 0 361.490 0.394 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055651395 1215899137 /nfs/dbraw/zinc/89/91/37/1215899137.db2.gz LOJVIZDPRKLLDF-NVXWUHKLSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCOC2)cn1 ZINC001098013644 1215925236 /nfs/dbraw/zinc/92/52/36/1215925236.db2.gz ZNPFHDXAIUHMRP-HPBDAGMYSA-N 2 0 361.490 0.816 20 0 FCADRP C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001000693106 1216106087 /nfs/dbraw/zinc/10/60/87/1216106087.db2.gz NHNQEZDIPHWCSW-LZQZEXGQSA-N 2 0 365.518 0.862 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001001425262 1216196422 /nfs/dbraw/zinc/19/64/22/1216196422.db2.gz MXVMQNSCWNJDEW-DLBZAZTESA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)CCC1 ZINC001222892360 1225663425 /nfs/dbraw/zinc/66/34/25/1225663425.db2.gz MQTHPWQHCFPEIW-WBVHZDCISA-N 2 0 362.518 0.920 20 0 FCADRP CCOCCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222959330 1225669982 /nfs/dbraw/zinc/66/99/82/1225669982.db2.gz XARTUOGURGERGD-ZACQAIPSSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1C ZINC001057746193 1216537160 /nfs/dbraw/zinc/53/71/60/1216537160.db2.gz OPVWTBPZNMSWIA-GVDBMIGSSA-N 2 0 370.538 0.240 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001052389756 1216547196 /nfs/dbraw/zinc/54/71/96/1216547196.db2.gz ZCQBDEPQZSYDHK-JZXOWHBKSA-N 2 0 366.506 0.189 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1=O ZINC000827320076 1216586950 /nfs/dbraw/zinc/58/69/50/1216586950.db2.gz QQSSZOKDTIMXLN-TVFCKZIOSA-N 2 0 362.518 0.872 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223174879 1225688894 /nfs/dbraw/zinc/68/88/94/1225688894.db2.gz SQMDEBSUITYCJP-NZSAHSFTSA-N 2 0 365.518 0.793 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885104 1216765414 /nfs/dbraw/zinc/76/54/14/1216765414.db2.gz NQNLHTQVPAAXNE-OWCLPIDISA-N 2 0 366.506 0.153 20 0 FCADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393644 1225703212 /nfs/dbraw/zinc/70/32/12/1225703212.db2.gz QTXUQFVADUODGG-MSOLQXFVSA-N 2 0 368.522 0.404 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223429890 1225706059 /nfs/dbraw/zinc/70/60/59/1225706059.db2.gz DBBMBKQLJARPQM-CVEARBPZSA-N 2 0 367.538 0.959 20 0 FCADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223571000 1225716856 /nfs/dbraw/zinc/71/68/56/1225716856.db2.gz WFXNTJOWLOKFSL-BFYDXBDKSA-N 2 0 368.522 0.448 20 0 FCADRP CCCC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001223569942 1225717134 /nfs/dbraw/zinc/71/71/34/1225717134.db2.gz GNGSPKVTMJZQQJ-HYVNUMGLSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCN4CCCC4=O)C3)C2)CC[N@@H+]1C ZINC001041301709 1217273445 /nfs/dbraw/zinc/27/34/45/1217273445.db2.gz PUAROAJMHLQSOG-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP Cc1nccnc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916798 1225746186 /nfs/dbraw/zinc/74/61/86/1225746186.db2.gz RNYPDIQUYJESNR-AEFFLSMTSA-N 2 0 361.490 0.786 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223985263 1225750242 /nfs/dbraw/zinc/75/02/42/1225750242.db2.gz WLYSXMDRUAWESR-SQNIBIBYSA-N 2 0 371.522 0.275 20 0 FCADRP CCN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001224129590 1225758993 /nfs/dbraw/zinc/75/89/93/1225758993.db2.gz IJQFQCJVKWXLQM-NUJGCVRESA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000900056928 1217958164 /nfs/dbraw/zinc/95/81/64/1217958164.db2.gz AOORJTQYNYWLDO-FXAWDEMLSA-N 2 0 374.485 0.661 20 0 FCADRP C=CC(=O)N(CC)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900454042 1217990290 /nfs/dbraw/zinc/99/02/90/1217990290.db2.gz AKIUIUCAAYREDA-UHFFFAOYSA-N 2 0 359.474 0.744 20 0 FCADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001046381567 1218031221 /nfs/dbraw/zinc/03/12/21/1218031221.db2.gz WNCWKESVZIGQGN-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898898 1218050964 /nfs/dbraw/zinc/05/09/64/1218050964.db2.gz NLQRJGMQWDWXLB-FQEVSTJZSA-N 2 0 371.485 0.812 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)cn1 ZINC001096140092 1218090558 /nfs/dbraw/zinc/09/05/58/1218090558.db2.gz ONVXBMUOQDWQNW-SQNIBIBYSA-N 2 0 371.489 0.677 20 0 FCADRP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047537299 1218160000 /nfs/dbraw/zinc/16/00/00/1218160000.db2.gz DLUPDMDYHNYPIZ-XWSJACJDSA-N 2 0 361.486 0.218 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001096344687 1218256379 /nfs/dbraw/zinc/25/63/79/1218256379.db2.gz RINAOYZOCLXLRJ-BGTYHANMSA-N 2 0 358.486 0.949 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001225346297 1225808236 /nfs/dbraw/zinc/80/82/36/1225808236.db2.gz LZCBJDQGMMAVGN-RBSFLKMASA-N 2 0 365.478 0.086 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048827923 1218322656 /nfs/dbraw/zinc/32/26/56/1218322656.db2.gz NLCPCFHSFMXJBO-RZFLPCETSA-N 2 0 362.518 0.728 20 0 FCADRP CC[NH+]1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903508890 1218430630 /nfs/dbraw/zinc/43/06/30/1218430630.db2.gz YRMIKXYMNDRMGL-KDURUIRLSA-N 2 0 363.550 0.488 20 0 FCADRP C[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756282 1218517011 /nfs/dbraw/zinc/51/70/11/1218517011.db2.gz PTIZHXSUVUHZRW-HOTGVXAUSA-N 2 0 371.489 0.794 20 0 FCADRP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757603 1218517216 /nfs/dbraw/zinc/51/72/16/1218517216.db2.gz DVSUAIRUQHHLQW-CABCVRRESA-N 2 0 363.462 0.860 20 0 FCADRP NC(=O)c1cc(F)ccc1N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769628 1218521299 /nfs/dbraw/zinc/52/12/99/1218521299.db2.gz KTPLESGANJJFMB-HNAYVOBHSA-N 2 0 362.449 0.815 20 0 FCADRP NC(=O)c1cc(F)ccc1N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769627 1218522028 /nfs/dbraw/zinc/52/20/28/1218522028.db2.gz KTPLESGANJJFMB-DNVCBOLYSA-N 2 0 362.449 0.815 20 0 FCADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225962012 1225829579 /nfs/dbraw/zinc/82/95/79/1225829579.db2.gz UPDHHSLSOLCXPI-BZUAXINKSA-N 2 0 368.478 0.383 20 0 FCADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)cnn1C ZINC000903935088 1218568109 /nfs/dbraw/zinc/56/81/09/1218568109.db2.gz MKKKGDFHKJZKCV-HNNXBMFYSA-N 2 0 355.486 0.932 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226160039 1225835200 /nfs/dbraw/zinc/83/52/00/1225835200.db2.gz DJPSFWMIVJOGCH-RBSFLKMASA-N 2 0 367.494 0.332 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001097079608 1218683514 /nfs/dbraw/zinc/68/35/14/1218683514.db2.gz LWKHTVYLBQYEEU-VQHPVUNQSA-N 2 0 374.485 0.199 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001097085521 1218685619 /nfs/dbraw/zinc/68/56/19/1218685619.db2.gz HHVHOTHZSQIHBZ-VQHPVUNQSA-N 2 0 361.490 0.075 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C3)n1 ZINC001097854064 1218853008 /nfs/dbraw/zinc/85/30/08/1218853008.db2.gz UHEKSGYBHXFJLL-LIRZEXBASA-N 2 0 360.506 0.958 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@@H+]1C ZINC001054134579 1218898905 /nfs/dbraw/zinc/89/89/05/1218898905.db2.gz IEZXFKCLDOGDPA-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001226766182 1225854081 /nfs/dbraw/zinc/85/40/81/1225854081.db2.gz IVSDXXSAMQCOOJ-RBSFLKMASA-N 2 0 367.494 0.176 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226783302 1225854106 /nfs/dbraw/zinc/85/41/06/1225854106.db2.gz WPAPEQKCFOTXLT-HZPDHXFCSA-N 2 0 368.522 0.640 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000826882998 1218909617 /nfs/dbraw/zinc/90/96/17/1218909617.db2.gz QSCQGLHKBRKOLL-IRXDYDNUSA-N 2 0 366.506 0.347 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226790487 1225854710 /nfs/dbraw/zinc/85/47/10/1225854710.db2.gz DAOVBQZXBHHDGC-NUJGCVRESA-N 2 0 368.522 0.496 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001227028901 1225861411 /nfs/dbraw/zinc/86/14/11/1225861411.db2.gz RZURRAVSDGMHHR-QBPKDAKJSA-N 2 0 368.522 0.589 20 0 FCADRP CCO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055529124 1219068966 /nfs/dbraw/zinc/06/89/66/1219068966.db2.gz NESQFMJVBPUXHH-HLLBOEOZSA-N 2 0 368.522 0.448 20 0 FCADRP CCCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055536791 1219071271 /nfs/dbraw/zinc/07/12/71/1219071271.db2.gz RPWIICQGVOZFJC-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227092341 1225863671 /nfs/dbraw/zinc/86/36/71/1225863671.db2.gz SORRBHCKZPNEFZ-ZACQAIPSSA-N 2 0 368.522 0.640 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055577817 1219085420 /nfs/dbraw/zinc/08/54/20/1219085420.db2.gz BNJIQTDTCBYYNX-BPQIPLTHSA-N 2 0 362.518 0.681 20 0 FCADRP COC[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583613 1219087562 /nfs/dbraw/zinc/08/75/62/1219087562.db2.gz VDPVPJJUYZDVCV-BFYDXBDKSA-N 2 0 368.522 0.306 20 0 FCADRP CCCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583642 1219087722 /nfs/dbraw/zinc/08/77/22/1219087722.db2.gz WHACIDJDWIBESO-NVXWUHKLSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000804058951 1219112404 /nfs/dbraw/zinc/11/24/04/1219112404.db2.gz HAVPZHMLZFKBSI-CVEARBPZSA-N 2 0 366.506 0.204 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001227275639 1225869233 /nfs/dbraw/zinc/86/92/33/1225869233.db2.gz HAGAALHLOJNFDU-ZIAGYGMSSA-N 2 0 365.478 0.087 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158345 1219244537 /nfs/dbraw/zinc/24/45/37/1219244537.db2.gz GRGXXAJYBPBBDS-QRVBRYPASA-N 2 0 368.485 0.957 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209264 1219294791 /nfs/dbraw/zinc/29/47/91/1219294791.db2.gz VJEGEHPTCVXYFE-XHSDSOJGSA-N 2 0 362.478 0.140 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224121 1219304890 /nfs/dbraw/zinc/30/48/90/1219304890.db2.gz OHEAYWRVANGVPN-CVEARBPZSA-N 2 0 364.494 0.265 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326839 1219376935 /nfs/dbraw/zinc/37/69/35/1219376935.db2.gz FVRXGVFVUVEITO-ZACQAIPSSA-N 2 0 355.446 0.167 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001070354290 1219391007 /nfs/dbraw/zinc/39/10/07/1219391007.db2.gz BASRDDSAUWDADC-ZNMIVQPWSA-N 2 0 362.478 0.245 20 0 FCADRP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001070354784 1219393096 /nfs/dbraw/zinc/39/30/96/1219393096.db2.gz VQSNLKAJKDXVET-KBXIAJHMSA-N 2 0 364.494 0.632 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070367305 1219399372 /nfs/dbraw/zinc/39/93/72/1219399372.db2.gz OQNRXMSQJDBNQY-NUJGCVRESA-N 2 0 366.506 0.202 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070381603 1219406290 /nfs/dbraw/zinc/40/62/90/1219406290.db2.gz KGAJSAMIDWBBPQ-GMBSWORKSA-N 2 0 368.497 0.773 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070475278 1219426140 /nfs/dbraw/zinc/42/61/40/1219426140.db2.gz LQLZPWNNJGCJKB-QXAKKESOSA-N 2 0 368.485 0.994 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070499186 1219440454 /nfs/dbraw/zinc/44/04/54/1219440454.db2.gz GFWHPJPUVRSOCQ-SOLBZPMBSA-N 2 0 363.506 0.274 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070548987 1219464209 /nfs/dbraw/zinc/46/42/09/1219464209.db2.gz DRBBNGHRYFCWDG-XYJFISCASA-N 2 0 363.506 0.417 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070565056 1219471247 /nfs/dbraw/zinc/47/12/47/1219471247.db2.gz CBNFDGHENKYGBL-FUHWJXTLSA-N 2 0 371.489 0.334 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070564099 1219471255 /nfs/dbraw/zinc/47/12/55/1219471255.db2.gz VBRXHVWEWZYEMR-UWWQBHOKSA-N 2 0 371.489 0.190 20 0 FCADRP CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)[NH+](CCO)C1 ZINC001070604681 1219481452 /nfs/dbraw/zinc/48/14/52/1219481452.db2.gz UEVXWEHEEUVONF-QKPAOTATSA-N 2 0 365.478 0.243 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228137749 1225896968 /nfs/dbraw/zinc/89/69/68/1225896968.db2.gz KYMRWPLNPAVLFP-RRFJBIMHSA-N 2 0 367.494 0.320 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070655337 1219510014 /nfs/dbraw/zinc/51/00/14/1219510014.db2.gz HCRXTWOWBJDKFK-GVDBMIGSSA-N 2 0 363.506 0.559 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001070682112 1219523238 /nfs/dbraw/zinc/52/32/38/1219523238.db2.gz KYDSFCJERNTICG-HUUCEWRRSA-N 2 0 361.446 0.265 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1cncn1C ZINC001070700719 1219531550 /nfs/dbraw/zinc/53/15/50/1219531550.db2.gz JIFSWNBYCSMYPV-HZPDHXFCSA-N 2 0 359.478 0.396 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070719160 1219541313 /nfs/dbraw/zinc/54/13/13/1219541313.db2.gz UUNNFBPPJPOKNJ-CGTJXYLNSA-N 2 0 368.485 0.851 20 0 FCADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001070721026 1219542664 /nfs/dbraw/zinc/54/26/64/1219542664.db2.gz KKULYANCRRGDCO-BRWVUGGUSA-N 2 0 363.506 0.561 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071063224 1219597908 /nfs/dbraw/zinc/59/79/08/1219597908.db2.gz LBCLVEJOJYYTMI-FCEWJHQRSA-N 2 0 366.506 0.332 20 0 FCADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071074515 1219600667 /nfs/dbraw/zinc/60/06/67/1219600667.db2.gz LLDPWAXVAHBYOU-QRVBRYPASA-N 2 0 365.518 0.839 20 0 FCADRP O=C(CCN1CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000725714521 1219616905 /nfs/dbraw/zinc/61/69/05/1219616905.db2.gz WZTFRYNJJKQPBH-UHFFFAOYSA-N 2 0 361.490 0.432 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239631 1225904278 /nfs/dbraw/zinc/90/42/78/1225904278.db2.gz VXEAJYAJTCYKRO-BFHYXJOUSA-N 2 0 367.494 0.189 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)CC1 ZINC001228238989 1225905118 /nfs/dbraw/zinc/90/51/18/1225905118.db2.gz LVGQBHNFRDZEQO-ZIAGYGMSSA-N 2 0 363.462 0.972 20 0 FCADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001098223243 1219743412 /nfs/dbraw/zinc/74/34/12/1219743412.db2.gz BWRNZYANKVGHBR-HZMVEIRTSA-N 2 0 360.502 0.720 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CCn3cccn3)CC2)CC[N@@H+]1C ZINC001098370888 1219767688 /nfs/dbraw/zinc/76/76/88/1219767688.db2.gz ARYRUYDVPCZYJS-SJLPKXTDSA-N 2 0 363.506 0.509 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355027 1225914794 /nfs/dbraw/zinc/91/47/94/1225914794.db2.gz IBNMAIHFMVKZJR-HUUCEWRRSA-N 2 0 369.510 0.437 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC001098844813 1219839373 /nfs/dbraw/zinc/83/93/73/1219839373.db2.gz JTHQZIJWSKLHAP-OLMMMNRUSA-N 2 0 363.506 0.323 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCCNC2=O)C3)CC1 ZINC001099062754 1219898361 /nfs/dbraw/zinc/89/83/61/1219898361.db2.gz DFSWXBXDGULQDX-QKLQHJQFSA-N 2 0 362.518 0.968 20 0 FCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](CC)CC ZINC001228558926 1225932963 /nfs/dbraw/zinc/93/29/63/1225932963.db2.gz IFZMGEGEEBBMRK-RBSFLKMASA-N 2 0 366.510 0.746 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228603670 1225936172 /nfs/dbraw/zinc/93/61/72/1225936172.db2.gz RIBZVDGZZSGDEH-RBSFLKMASA-N 2 0 367.494 0.191 20 0 FCADRP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001099537316 1220027184 /nfs/dbraw/zinc/02/71/84/1220027184.db2.gz IQQJXOFCPUGGLJ-GJYPPUQNSA-N 2 0 360.506 0.968 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1=O ZINC001099536352 1220027486 /nfs/dbraw/zinc/02/74/86/1220027486.db2.gz CHMYZXYZBQMHIB-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)CC1 ZINC000755779527 1220148521 /nfs/dbraw/zinc/14/85/21/1220148521.db2.gz JQKVMBCYZUFNNM-MRXNPFEDSA-N 3 0 363.506 0.624 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257641 1220250554 /nfs/dbraw/zinc/25/05/54/1220250554.db2.gz FDKWXFDPCRSHCG-RYRKJORJSA-N 2 0 366.485 0.738 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257243 1220250589 /nfs/dbraw/zinc/25/05/89/1220250589.db2.gz LSLMBDDFXUPLFV-GJYPPUQNSA-N 2 0 370.513 0.925 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101257382 1220250711 /nfs/dbraw/zinc/25/07/11/1220250711.db2.gz RIENEEFBRSRMBS-ALKREAHSSA-N 2 0 368.497 0.725 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267593 1220256282 /nfs/dbraw/zinc/25/62/82/1220256282.db2.gz LQVUHLKDVDCXJU-NSHGMRRFSA-N 2 0 367.534 0.754 20 0 FCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341337 1220294513 /nfs/dbraw/zinc/29/45/13/1220294513.db2.gz GRBDNJCICVELNF-APWZRJJASA-N 2 0 364.534 0.881 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101351269 1220298278 /nfs/dbraw/zinc/29/82/78/1220298278.db2.gz AOHRPPCXAUAKHE-BEFAXECRSA-N 2 0 367.538 0.816 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364632 1220302769 /nfs/dbraw/zinc/30/27/69/1220302769.db2.gz WXPPWMZHFSJKKP-QKLQHJQFSA-N 2 0 364.534 0.975 20 0 FCADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368651 1220305555 /nfs/dbraw/zinc/30/55/55/1220305555.db2.gz GESWSNPINDIDFS-UZLBHIALSA-N 2 0 364.534 0.977 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399991 1220323925 /nfs/dbraw/zinc/32/39/25/1220323925.db2.gz AZIVJDFRZPQGGI-MDZRGWNJSA-N 2 0 360.506 0.888 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401297 1220324407 /nfs/dbraw/zinc/32/44/07/1220324407.db2.gz RSSZCKWHOVYUAT-LMMKCTJWSA-N 2 0 363.506 0.366 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405505 1220327440 /nfs/dbraw/zinc/32/74/40/1220327440.db2.gz BLUKUPWYAIJUIH-BEFAXECRSA-N 2 0 366.506 0.014 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101418116 1220332927 /nfs/dbraw/zinc/33/29/27/1220332927.db2.gz AFHRFASJLIKTFP-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431283 1220339501 /nfs/dbraw/zinc/33/95/01/1220339501.db2.gz IEGLAWIBXNJATD-MJGOQNOKSA-N 2 0 363.506 0.587 20 0 FCADRP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431211 1220340080 /nfs/dbraw/zinc/34/00/80/1220340080.db2.gz DQPIZUWJAVZAHM-MDZRGWNJSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001101431584 1220340946 /nfs/dbraw/zinc/34/09/46/1220340946.db2.gz UXSWPSZNCWIHRG-APWZRJJASA-N 2 0 360.502 0.389 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101459549 1220357779 /nfs/dbraw/zinc/35/77/79/1220357779.db2.gz IOPMXOPKJZCZSI-HLIPFELVSA-N 2 0 362.518 0.587 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001228938818 1225964203 /nfs/dbraw/zinc/96/42/03/1225964203.db2.gz GMIJMNKDEOFLLX-NWANDNLSSA-N 2 0 367.494 0.319 20 0 FCADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983022 1220452443 /nfs/dbraw/zinc/45/24/43/1220452443.db2.gz XYGPHLVULUMXOC-QBPKDAKJSA-N 2 0 368.522 0.163 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015896 1220462590 /nfs/dbraw/zinc/46/25/90/1220462590.db2.gz UWJMLFQWJQOVKB-DJIMGWMZSA-N 2 0 370.513 0.877 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044922 1220475667 /nfs/dbraw/zinc/47/56/67/1220475667.db2.gz KOTMCVJZKWMFPO-BRWVUGGUSA-N 2 0 363.506 0.412 20 0 FCADRP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046134 1220476128 /nfs/dbraw/zinc/47/61/28/1220476128.db2.gz OLGBYOCPMLDWPD-HZPDHXFCSA-N 2 0 367.538 0.862 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051805 1220479004 /nfs/dbraw/zinc/47/90/04/1220479004.db2.gz NTGCQXFBOYZFFI-NUJGCVRESA-N 2 0 363.506 0.412 20 0 FCADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059381 1220481939 /nfs/dbraw/zinc/48/19/39/1220481939.db2.gz MXNMCWRDCGZZJW-KFWWJZLASA-N 2 0 367.494 0.001 20 0 FCADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059382 1220482129 /nfs/dbraw/zinc/48/21/29/1220482129.db2.gz MXNMCWRDCGZZJW-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102066046 1220484514 /nfs/dbraw/zinc/48/45/14/1220484514.db2.gz CTQOTDCQEMPIAI-RKVPGOIHSA-N 2 0 366.506 0.406 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102104288 1220497267 /nfs/dbraw/zinc/49/72/67/1220497267.db2.gz NYXOWZMHDVZLFI-HZPDHXFCSA-N 2 0 368.522 0.260 20 0 FCADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109401 1220501461 /nfs/dbraw/zinc/50/14/61/1220501461.db2.gz JOBKPHBWGAWCHC-UNEWFSDZSA-N 2 0 360.458 0.948 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287101 1220574063 /nfs/dbraw/zinc/57/40/63/1220574063.db2.gz MHRFGFAXWSRWAX-NVXWUHKLSA-N 2 0 364.534 0.881 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290417 1220575463 /nfs/dbraw/zinc/57/54/63/1220575463.db2.gz DGTQGZAJOSUMST-BRWVUGGUSA-N 2 0 363.506 0.270 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290357 1220576031 /nfs/dbraw/zinc/57/60/31/1220576031.db2.gz ACBMLPFTLYBHMG-BZUAXINKSA-N 2 0 360.506 0.791 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320659 1220581883 /nfs/dbraw/zinc/58/18/83/1220581883.db2.gz NCMASVFXQRISIP-BRWVUGGUSA-N 2 0 367.490 0.793 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330322 1220584368 /nfs/dbraw/zinc/58/43/68/1220584368.db2.gz OTFVKMCERCJEJS-KBAYOESNSA-N 2 0 370.538 0.409 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](CC)CC ZINC001102357877 1220591014 /nfs/dbraw/zinc/59/10/14/1220591014.db2.gz MXDHTIRWYAKVMK-KFWWJZLASA-N 2 0 369.510 0.247 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427471 1220622297 /nfs/dbraw/zinc/62/22/97/1220622297.db2.gz VSQNFQXFIYPVHS-RBSFLKMASA-N 2 0 367.494 0.128 20 0 FCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102473706 1220644085 /nfs/dbraw/zinc/64/40/85/1220644085.db2.gz LQAADWQVULHFJB-ZIAGYGMSSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486706 1220650354 /nfs/dbraw/zinc/65/03/54/1220650354.db2.gz RCQCPYSXPCDODR-HZPDHXFCSA-N 2 0 364.494 0.073 20 0 FCADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488880 1220652445 /nfs/dbraw/zinc/65/24/45/1220652445.db2.gz LNAXULDNBGVVOR-HZPDHXFCSA-N 2 0 368.522 0.306 20 0 FCADRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)cn1 ZINC001102511149 1220669968 /nfs/dbraw/zinc/66/99/68/1220669968.db2.gz LNTXFABUCPMZFK-NVXWUHKLSA-N 2 0 364.490 0.853 20 0 FCADRP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511085 1220670030 /nfs/dbraw/zinc/67/00/30/1220670030.db2.gz IODCVUISLMPEKC-BRWVUGGUSA-N 2 0 370.538 0.409 20 0 FCADRP COc1cccc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511072 1220670100 /nfs/dbraw/zinc/67/01/00/1220670100.db2.gz IAMAXROVMPMDOR-HZPDHXFCSA-N 2 0 364.490 0.853 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513770 1220672804 /nfs/dbraw/zinc/67/28/04/1220672804.db2.gz AJOZXCFPWDQBQE-KBAYOESNSA-N 2 0 364.534 0.881 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579837 1220701155 /nfs/dbraw/zinc/70/11/55/1220701155.db2.gz SATSFWYXKBKYOS-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C ZINC001102580982 1220702792 /nfs/dbraw/zinc/70/27/92/1220702792.db2.gz TZRQMWGZGRGZOU-IXDOHACOSA-N 2 0 363.506 0.573 20 0 FCADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599035 1220720603 /nfs/dbraw/zinc/72/06/03/1220720603.db2.gz MBMBCAUHIASEJF-HUUCEWRRSA-N 2 0 364.494 0.169 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599896 1220721509 /nfs/dbraw/zinc/72/15/09/1220721509.db2.gz CIMLHBGBMYYNEP-RBSFLKMASA-N 2 0 367.494 0.001 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001229229514 1225990509 /nfs/dbraw/zinc/99/05/09/1225990509.db2.gz BBDYMZJBKKQEGP-GVDBMIGSSA-N 2 0 368.522 0.640 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162837 1220842507 /nfs/dbraw/zinc/84/25/07/1220842507.db2.gz LXEKNGWSXPXHBX-OWCLPIDISA-N 2 0 361.490 0.856 20 0 FCADRP C[C@H](c1nncn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643189 1220926047 /nfs/dbraw/zinc/92/60/47/1220926047.db2.gz GGXLYXIBKQWYNP-BZUAXINKSA-N 2 0 366.510 0.529 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643968 1220926683 /nfs/dbraw/zinc/92/66/83/1220926683.db2.gz ZQUPFTJQORISDK-NVXWUHKLSA-N 2 0 368.522 0.165 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646680 1220927468 /nfs/dbraw/zinc/92/74/68/1220927468.db2.gz FKXDCAHJWMBLIT-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP CCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001103646808 1220927473 /nfs/dbraw/zinc/92/74/73/1220927473.db2.gz GYVFFCQGRVGMAG-HZPDHXFCSA-N 2 0 360.506 0.968 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103724919 1220954027 /nfs/dbraw/zinc/95/40/27/1220954027.db2.gz ZJPUNQWGBCBWLS-BRWVUGGUSA-N 2 0 368.522 0.117 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001103999486 1220996571 /nfs/dbraw/zinc/99/65/71/1220996571.db2.gz AGFKPCRNFQHHCF-OAGGEKHMSA-N 2 0 366.485 0.916 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001104210831 1221022173 /nfs/dbraw/zinc/02/21/73/1221022173.db2.gz DBWQUCIIBQHMIW-JOCBIADPSA-N 2 0 364.534 0.927 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779005 1221104855 /nfs/dbraw/zinc/10/48/55/1221104855.db2.gz SMLHAQPRJQPZFM-LXIYXOSZSA-N 2 0 365.478 0.025 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807784 1221121063 /nfs/dbraw/zinc/12/10/63/1221121063.db2.gz DSBDUNNHZLKWCG-IEZWGBDMSA-N 2 0 358.442 0.926 20 0 FCADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001111817233 1221125471 /nfs/dbraw/zinc/12/54/71/1221125471.db2.gz VQUCQZZGOXTNQY-NSHGMRRFSA-N 2 0 365.518 0.840 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)CC1 ZINC001111855567 1221137625 /nfs/dbraw/zinc/13/76/25/1221137625.db2.gz BOWFTGSLSFGCQF-KXBFYZLASA-N 2 0 363.506 0.324 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857936 1221138305 /nfs/dbraw/zinc/13/83/05/1221138305.db2.gz GGYFPJDULWWNFE-DEYYWGMASA-N 2 0 367.494 0.143 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)Nc1ccon1)C2 ZINC001111909648 1221163244 /nfs/dbraw/zinc/16/32/44/1221163244.db2.gz HPGWIEBNXOJEEY-KSSFIOAISA-N 2 0 363.462 0.926 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938025 1221178518 /nfs/dbraw/zinc/17/85/18/1221178518.db2.gz HXDPKDASQXUYSJ-LPHOPBHVSA-N 2 0 368.522 0.404 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112355579 1221245276 /nfs/dbraw/zinc/24/52/76/1221245276.db2.gz HVPVKDMXWXEFEV-NSHGMRRFSA-N 2 0 365.518 0.555 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)CCC1 ZINC001112397030 1221251891 /nfs/dbraw/zinc/25/18/91/1221251891.db2.gz PGVBUXNRHAEPRL-WMZOPIPTSA-N 2 0 360.506 0.981 20 0 FCADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397207 1221252204 /nfs/dbraw/zinc/25/22/04/1221252204.db2.gz WZVOPARXDCBSLC-ZWOKBUDYSA-N 2 0 364.534 0.929 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001112425196 1221257369 /nfs/dbraw/zinc/25/73/69/1221257369.db2.gz BEFDHBPAJIEHQK-FCEWJHQRSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC001229693390 1226027754 /nfs/dbraw/zinc/02/77/54/1226027754.db2.gz RLRWKZUDQIDDCL-IAGOWNOFSA-N 2 0 368.522 0.594 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001229715965 1226030828 /nfs/dbraw/zinc/03/08/28/1226030828.db2.gz DPTGWAWSBPIKDJ-RCCFBDPRSA-N 2 0 371.522 0.777 20 0 FCADRP Cn1c2ncn(CC[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000799178409 1221303955 /nfs/dbraw/zinc/30/39/55/1221303955.db2.gz QQYNPHSFDJUFOL-UHFFFAOYSA-N 2 0 374.489 0.242 20 0 FCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)N1C[C@H](O)C[NH+]1CCCC1 ZINC000799168899 1221304384 /nfs/dbraw/zinc/30/43/84/1221304384.db2.gz YPKJQFFUNAOZST-ZGXWSNOMSA-N 2 0 368.566 0.294 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229808168 1226035600 /nfs/dbraw/zinc/03/56/00/1226035600.db2.gz OACYRSUCOMSQNG-RCCFBDPRSA-N 2 0 365.522 0.993 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061346 1221451018 /nfs/dbraw/zinc/45/10/18/1221451018.db2.gz ALNIFGCTMHYWIQ-KRWDZBQOSA-N 2 0 370.497 0.555 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001230138128 1226056721 /nfs/dbraw/zinc/05/67/21/1226056721.db2.gz GYAVCBMUGBHQRR-USXIJHARSA-N 2 0 366.506 0.250 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001230138677 1226057189 /nfs/dbraw/zinc/05/71/89/1226057189.db2.gz QEVDVUDNJYBGGW-RRFJBIMHSA-N 2 0 363.462 0.890 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149485 1226058291 /nfs/dbraw/zinc/05/82/91/1226058291.db2.gz LBTIBQXTCNLVFP-GVDBMIGSSA-N 2 0 368.522 0.496 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118332976 1221762430 /nfs/dbraw/zinc/76/24/30/1221762430.db2.gz JBBDWMJHUVAIJI-LPHOPBHVSA-N 2 0 368.522 0.391 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284951 1226071657 /nfs/dbraw/zinc/07/16/57/1226071657.db2.gz YTZPGPYEFSEFKM-HUUCEWRRSA-N 2 0 369.510 0.579 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118678843 1221818267 /nfs/dbraw/zinc/81/82/67/1221818267.db2.gz RVLIQIMJNLDQOV-IAGOWNOFSA-N 2 0 364.490 0.053 20 0 FCADRP C[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[C@H](C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001118757337 1221828007 /nfs/dbraw/zinc/82/80/07/1221828007.db2.gz CNSMKYZZILGXOV-HOTGVXAUSA-N 2 0 362.518 0.587 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001119299138 1221898046 /nfs/dbraw/zinc/89/80/46/1221898046.db2.gz DHNQHSNGTIYVJZ-MRXNPFEDSA-N 2 0 362.478 0.433 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001119347343 1221903068 /nfs/dbraw/zinc/90/30/68/1221903068.db2.gz HHPJFAHZTWUZBP-MRXNPFEDSA-N 2 0 366.506 0.252 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC001119353908 1221904484 /nfs/dbraw/zinc/90/44/84/1221904484.db2.gz UWMACYXFCLCNKU-ZACQAIPSSA-N 2 0 368.522 0.450 20 0 FCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001119358533 1221905997 /nfs/dbraw/zinc/90/59/97/1221905997.db2.gz ZOMSILXOEOKZBS-LJQANCHMSA-N 2 0 352.442 0.756 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC001119412115 1221913713 /nfs/dbraw/zinc/91/37/13/1221913713.db2.gz QVCVLURFKPFUOE-BRWVUGGUSA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119424867 1221915672 /nfs/dbraw/zinc/91/56/72/1221915672.db2.gz LHAUXQYGUDJFNP-ZWKOTPCHSA-N 2 0 369.554 0.798 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001119425637 1221915948 /nfs/dbraw/zinc/91/59/48/1221915948.db2.gz ZVEQNIJHMYCIQK-WMZOPIPTSA-N 2 0 367.538 0.552 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001119425636 1221916159 /nfs/dbraw/zinc/91/61/59/1221916159.db2.gz ZVEQNIJHMYCIQK-SJLPKXTDSA-N 2 0 367.538 0.552 20 0 FCADRP CCN1CCC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC001120560192 1222104497 /nfs/dbraw/zinc/10/44/97/1222104497.db2.gz HIHQLTTULKLBSO-BBWFWOEESA-N 2 0 363.506 0.608 20 0 FCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001120574891 1222105291 /nfs/dbraw/zinc/10/52/91/1222105291.db2.gz RXQCZJOGZSVSLE-RDJZCZTQSA-N 2 0 365.474 0.438 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001121981736 1222229488 /nfs/dbraw/zinc/22/94/88/1222229488.db2.gz AIKIZUTVARVZTD-IBGZPJMESA-N 2 0 360.458 0.076 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825894 1222359900 /nfs/dbraw/zinc/35/99/00/1222359900.db2.gz WGZDUGXFRUNCMY-PBHICJAKSA-N 2 0 359.474 0.305 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825895 1222360471 /nfs/dbraw/zinc/36/04/71/1222360471.db2.gz WGZDUGXFRUNCMY-RHSMWYFYSA-N 2 0 359.474 0.305 20 0 FCADRP CCC[C@H]1CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001123886521 1222363444 /nfs/dbraw/zinc/36/34/44/1222363444.db2.gz QPPGUNKYXKSEQI-ROUUACIJSA-N 2 0 369.554 0.765 20 0 FCADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cn(C)c(=O)n(C)c1=O ZINC001231770748 1226127569 /nfs/dbraw/zinc/12/75/69/1226127569.db2.gz SRILHQLMFXVEAY-UHFFFAOYSA-N 2 0 367.538 0.570 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4nonc4c3)CC[C@@H]2C1 ZINC001139221698 1222544611 /nfs/dbraw/zinc/54/46/11/1222544611.db2.gz LQNKQEVDFRMFOV-CRAIPNDOSA-N 2 0 373.457 0.834 20 0 FCADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC3(CC2)COCC(=O)N3)CC1 ZINC001140970138 1222626503 /nfs/dbraw/zinc/62/65/03/1222626503.db2.gz DLDOHIWSFWWEQR-UHFFFAOYSA-N 2 0 358.486 0.919 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841160505 1222810978 /nfs/dbraw/zinc/81/09/78/1222810978.db2.gz HJRZLRQNKABVTD-OAHLLOKOSA-N 2 0 359.474 0.587 20 0 FCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841164468 1222811471 /nfs/dbraw/zinc/81/14/71/1222811471.db2.gz IJSQFXCQNPDANS-MRXNPFEDSA-N 2 0 359.474 0.635 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000841178276 1222811815 /nfs/dbraw/zinc/81/18/15/1222811815.db2.gz FGZHGRDMQGQNLI-CRAIPNDOSA-N 2 0 373.501 0.963 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000841213151 1222813674 /nfs/dbraw/zinc/81/36/74/1222813674.db2.gz VRPXPVLRLQPICE-HXUWFJFHSA-N 2 0 373.501 0.883 20 0 FCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000841226032 1222814713 /nfs/dbraw/zinc/81/47/13/1222814713.db2.gz OHJBDMROOZXOCP-LSDHHAIUSA-N 2 0 359.474 0.763 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000841229965 1222815111 /nfs/dbraw/zinc/81/51/11/1222815111.db2.gz TVROSIXTNHOSLR-HOTGVXAUSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000842132453 1222836232 /nfs/dbraw/zinc/83/62/32/1222836232.db2.gz BXCBWDLAJOSQJP-LEUOFYLZSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC([NH3+])CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842189759 1222839712 /nfs/dbraw/zinc/83/97/12/1222839712.db2.gz QFVGCSRTSLCKDY-FQEVSTJZSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842190490 1222840277 /nfs/dbraw/zinc/84/02/77/1222840277.db2.gz SNSQQNIEIYTBEZ-UEXGIBASSA-N 2 0 370.497 0.693 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000842203286 1222841565 /nfs/dbraw/zinc/84/15/65/1222841565.db2.gz QHHNESNMHLZYRA-OFLPRAFFSA-N 2 0 365.522 0.001 20 0 FCADRP Nc1cn(C(=O)[C@H]2CC3CC[NH+]2CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001142625989 1222845393 /nfs/dbraw/zinc/84/53/93/1222845393.db2.gz AOAVCZZXMSZPKM-GOSISDBHSA-N 2 0 359.474 0.428 20 0 FCADRP COCCN1[C@H](C)CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C[C@@H]1C ZINC000843244962 1222862253 /nfs/dbraw/zinc/86/22/53/1222862253.db2.gz UKNASLNGQFTPQV-IYBDPMFKSA-N 2 0 366.506 0.108 20 0 FCADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000843261982 1222867582 /nfs/dbraw/zinc/86/75/82/1222867582.db2.gz PSWVOJAWXQFJCG-IAGOWNOFSA-N 2 0 368.522 0.506 20 0 FCADRP Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)c(N)n1 ZINC001143200329 1222869403 /nfs/dbraw/zinc/86/94/03/1222869403.db2.gz AXLOQSLWDDJCSI-UHFFFAOYSA-N 2 0 374.533 0.642 20 0 FCADRP CC[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843377733 1222874711 /nfs/dbraw/zinc/87/47/11/1222874711.db2.gz UJUANZVCNVRNRX-UONOGXRCSA-N 2 0 365.478 0.722 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CCN([C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001151132796 1222916235 /nfs/dbraw/zinc/91/62/35/1222916235.db2.gz YCPUDQJEZWTFJW-HRCADAONSA-N 2 0 368.522 0.578 20 0 FCADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001155227400 1223029957 /nfs/dbraw/zinc/02/99/57/1223029957.db2.gz MEBPSVAAHZUMOE-HNNXBMFYSA-N 2 0 364.494 0.772 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3nc(C[NH3+])c4ccccc43)n1)CC[NH2+]CC2 ZINC001156856325 1223063180 /nfs/dbraw/zinc/06/31/80/1223063180.db2.gz QHRXOEOHXPJKID-UHFFFAOYSA-N 2 0 372.454 0.366 20 0 FCADRP O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992448 1223064872 /nfs/dbraw/zinc/06/48/72/1223064872.db2.gz LETDHLIBCXHKTI-IRFCIJBXSA-N 2 0 373.497 0.681 20 0 FCADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081925 1223067097 /nfs/dbraw/zinc/06/70/97/1223067097.db2.gz FXQFKAZVZSINDU-DHSIGJKJSA-N 2 0 364.446 0.549 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ncnc2c1CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC001157095047 1223067505 /nfs/dbraw/zinc/06/75/05/1223067505.db2.gz DSESIHFURLNZPA-CYBMUJFWSA-N 2 0 374.470 0.117 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000977805760 1248653495 /nfs/dbraw/zinc/65/34/95/1248653495.db2.gz IFOBOCUUFDTQTD-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001157336362 1223074318 /nfs/dbraw/zinc/07/43/18/1223074318.db2.gz NVLJVRQZEITWSX-RIFZZMRRSA-N 2 0 373.501 0.072 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157744701 1223081048 /nfs/dbraw/zinc/08/10/48/1223081048.db2.gz KUYWSITWNPWORY-MPGHIAIKSA-N 3 0 371.501 0.113 20 0 FCADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720871 1223081217 /nfs/dbraw/zinc/08/12/17/1223081217.db2.gz QRNIOXRPCCPWNF-VQIMIIECSA-N 2 0 371.485 0.561 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3cc(C(N)=O)nc(C4CC4)n3)CC2)CC1 ZINC001157848035 1223082984 /nfs/dbraw/zinc/08/29/84/1223082984.db2.gz NUVFACJBZJBOSH-UHFFFAOYSA-N 2 0 358.490 0.917 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)CC1 ZINC001157836830 1223082993 /nfs/dbraw/zinc/08/29/93/1223082993.db2.gz NYELIDDOZBLMDP-UHFFFAOYSA-N 3 0 359.522 0.350 20 0 FCADRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001157895610 1223083404 /nfs/dbraw/zinc/08/34/04/1223083404.db2.gz IQXOPPLYPVWJPB-UHFFFAOYSA-N 2 0 350.430 0.635 20 0 FCADRP C[C@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157900659 1223083960 /nfs/dbraw/zinc/08/39/60/1223083960.db2.gz OSPCHBVACKYGGX-BXWFABGCSA-N 2 0 368.522 0.445 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959427 1223085150 /nfs/dbraw/zinc/08/51/50/1223085150.db2.gz BHVUKXXRLGKXDV-ZWKOTPCHSA-N 3 0 358.486 0.612 20 0 FCADRP O=C(c1cccc(CN2CC[NH2+]CC2)c1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076893 1223088622 /nfs/dbraw/zinc/08/86/22/1223088622.db2.gz OZVUERIBJCKJCZ-UHFFFAOYSA-N 2 0 358.486 0.686 20 0 FCADRP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158102565 1223088876 /nfs/dbraw/zinc/08/88/76/1223088876.db2.gz UHZPBXSQRHWDSA-OXJNMPFZSA-N 2 0 374.485 0.424 20 0 FCADRP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001158121875 1223089324 /nfs/dbraw/zinc/08/93/24/1223089324.db2.gz XVBSRBVONACDPE-HXUWFJFHSA-N 2 0 360.502 0.485 20 0 FCADRP C[NH2+][C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@H](C)OC(C)(C)C ZINC001158261562 1223092208 /nfs/dbraw/zinc/09/22/08/1223092208.db2.gz NDZIFOWYVKQMGK-HIFRSBDPSA-N 2 0 364.494 0.491 20 0 FCADRP [NH3+]C[C@H](Cc1ccccc1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276640 1223093342 /nfs/dbraw/zinc/09/33/42/1223093342.db2.gz BONYRMHNSIBXGR-INIZCTEOSA-N 2 0 354.458 0.517 20 0 FCADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281987 1223093346 /nfs/dbraw/zinc/09/33/46/1223093346.db2.gz HUHPDJRBJCNLGV-WBVHZDCISA-N 2 0 365.478 0.721 20 0 FCADRP [NH3+]CCc1ccc(CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cc1 ZINC001158276874 1223093534 /nfs/dbraw/zinc/09/35/34/1223093534.db2.gz GABWCPHUMYNNFI-UHFFFAOYSA-N 2 0 354.458 0.443 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC001158305099 1223094557 /nfs/dbraw/zinc/09/45/57/1223094557.db2.gz CARGRYGJNKUTJU-XLAORIBOSA-N 2 0 356.470 0.286 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336960 1223095089 /nfs/dbraw/zinc/09/50/89/1223095089.db2.gz PJYANMPIJHHKED-XDKFSHSGSA-N 2 0 358.486 0.962 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)c1c[nH+]ccc1N)C2 ZINC001158395283 1223096804 /nfs/dbraw/zinc/09/68/04/1223096804.db2.gz UPTRQJIJIJNTQO-HUUCEWRRSA-N 2 0 372.347 0.651 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nc3ccccc3c(=O)n2C)CC[N@@H+]1C ZINC001158428662 1223097527 /nfs/dbraw/zinc/09/75/27/1223097527.db2.gz NGYPFMYSNRCXQT-HUUCEWRRSA-N 2 0 371.485 0.870 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]1C[NH2+]Cc2cccn2C1 ZINC001158496642 1223099962 /nfs/dbraw/zinc/09/99/62/1223099962.db2.gz WEGYTAXQIJHHML-NXNVCVFFSA-N 2 0 360.458 0.350 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001158496532 1223100194 /nfs/dbraw/zinc/10/01/94/1223100194.db2.gz RFEQAVSEZJXBSD-POORBHPNSA-N 2 0 365.474 0.287 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C ZINC001158498020 1223100823 /nfs/dbraw/zinc/10/08/23/1223100823.db2.gz MESZJWKFHKCABF-XDQVBPFNSA-N 2 0 369.462 0.058 20 0 FCADRP [NH3+]C1CCN([C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c2ccco2)CC1 ZINC001158534849 1223101822 /nfs/dbraw/zinc/10/18/22/1223101822.db2.gz UTTAWVPGBFPQDH-RTBCOKGWSA-N 2 0 374.485 0.723 20 0 FCADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158737645 1223106614 /nfs/dbraw/zinc/10/66/14/1223106614.db2.gz LEHQBWQAPMSSAQ-AWEZNQCLSA-N 2 0 359.434 0.051 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158737647 1223106879 /nfs/dbraw/zinc/10/68/79/1223106879.db2.gz LEHQBWQAPMSSAQ-CQSZACIVSA-N 2 0 359.434 0.051 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001158959047 1223114092 /nfs/dbraw/zinc/11/40/92/1223114092.db2.gz NBONXUMTEGYJRU-AWEZNQCLSA-N 2 0 365.478 0.757 20 0 FCADRP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@]24C[NH2+]C[C@H]2C[NH2+]CC4)CC3)cn1 ZINC001158983703 1223114842 /nfs/dbraw/zinc/11/48/42/1223114842.db2.gz XWPOCKYMSXOBSF-XAUMDUMWSA-N 2 0 373.501 0.484 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001159134447 1223118705 /nfs/dbraw/zinc/11/87/05/1223118705.db2.gz NXVHYMMIYBJBNA-JKSUJKDBSA-N 3 0 360.506 0.277 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)C1CC[NH2+]CC1 ZINC001159157522 1223119495 /nfs/dbraw/zinc/11/94/95/1223119495.db2.gz HHSNSFYRLBFQKG-GOSISDBHSA-N 3 0 360.506 0.191 20 0 FCADRP O=C(N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159209599 1223120752 /nfs/dbraw/zinc/12/07/52/1223120752.db2.gz IATHOZCJYDSBPF-KWXDATOUSA-N 2 0 372.469 0.023 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159339259 1223124543 /nfs/dbraw/zinc/12/45/43/1223124543.db2.gz MXIWALQMNPRZNQ-CQSZACIVSA-N 2 0 366.437 0.688 20 0 FCADRP Cc1cccc(N(C(=O)[C@]2(N)CCC[NH2+]C2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339433 1223124994 /nfs/dbraw/zinc/12/49/94/1223124994.db2.gz NTCHMSOYRDUIRV-HOJAQTOUSA-N 2 0 358.486 0.930 20 0 FCADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402575 1223125896 /nfs/dbraw/zinc/12/58/96/1223125896.db2.gz HTVJJMDDPUOLCC-ZVDSWSACSA-N 2 0 363.437 0.382 20 0 FCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402222 1223125917 /nfs/dbraw/zinc/12/59/17/1223125917.db2.gz FVQGBSCBGGWSOQ-BPKGMFCQSA-N 2 0 359.474 0.822 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403129 1223125999 /nfs/dbraw/zinc/12/59/99/1223125999.db2.gz GJGWXKWBPNZBTD-XUWXXGDYSA-N 2 0 366.437 0.531 20 0 FCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402224 1223126138 /nfs/dbraw/zinc/12/61/38/1223126138.db2.gz FVQGBSCBGGWSOQ-QUSNUVHPSA-N 2 0 359.474 0.822 20 0 FCADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001159412628 1223126320 /nfs/dbraw/zinc/12/63/20/1223126320.db2.gz WGFXVWXLENSOHS-WMZOPIPTSA-N 2 0 357.502 0.974 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001159540900 1223129368 /nfs/dbraw/zinc/12/93/68/1223129368.db2.gz IIWAVHCQIYFAHF-GJYPPUQNSA-N 2 0 368.522 0.341 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585328 1223130418 /nfs/dbraw/zinc/13/04/18/1223130418.db2.gz PXJLTZKBSVLRNK-YJBOKZPZSA-N 2 0 361.490 0.595 20 0 FCADRP O=C(CNC1CC[NH2+]CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667137 1223132779 /nfs/dbraw/zinc/13/27/79/1223132779.db2.gz SUXGMRIIRUDJKO-MOPGFXCFSA-N 2 0 373.501 0.225 20 0 FCADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001159665263 1223133126 /nfs/dbraw/zinc/13/31/26/1223133126.db2.gz INWQNXWPRUMQAM-QYZOEREBSA-N 3 0 373.501 0.210 20 0 FCADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC[C@@H]21 ZINC001159781003 1223136569 /nfs/dbraw/zinc/13/65/69/1223136569.db2.gz FRDZPBHOHJFJTK-ZACQAIPSSA-N 2 0 362.518 0.966 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853182 1223138399 /nfs/dbraw/zinc/13/83/99/1223138399.db2.gz ALFBTYUELNABKH-JQHSSLGASA-N 3 0 374.460 0.299 20 0 FCADRP COC[C@H]1COCCC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160060042 1223143886 /nfs/dbraw/zinc/14/38/86/1223143886.db2.gz SMZALYIBMOMRLW-DOTOQJQBSA-N 2 0 368.522 0.029 20 0 FCADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127951 1223146764 /nfs/dbraw/zinc/14/67/64/1223146764.db2.gz GMGURWZABTYSQY-SCNOPHJPSA-N 2 0 370.457 0.475 20 0 FCADRP Cc1ccc(N(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172579 1223146937 /nfs/dbraw/zinc/14/69/37/1223146937.db2.gz YWUDQPOLHDZVHU-AEFFLSMTSA-N 2 0 367.453 0.718 20 0 FCADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCO2 ZINC001160191768 1223149193 /nfs/dbraw/zinc/14/91/93/1223149193.db2.gz ODIOUZKLJTUQNO-PKOBYXMFSA-N 2 0 368.522 0.722 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC2=CC[N@H+](CCO)CC2)CC1 ZINC001160196318 1223149806 /nfs/dbraw/zinc/14/98/06/1223149806.db2.gz PQZARFXOMLFKEF-MOPGFXCFSA-N 2 0 365.518 0.864 20 0 FCADRP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001160323187 1223154910 /nfs/dbraw/zinc/15/49/10/1223154910.db2.gz JFAOJTNVEZVDQZ-LSDHHAIUSA-N 2 0 374.489 0.032 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160354067 1223155649 /nfs/dbraw/zinc/15/56/49/1223155649.db2.gz RMENLSGNBLBJNL-UHFFFAOYSA-N 2 0 358.402 0.145 20 0 FCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C[C@@H]1COCC[NH2+]1)CCC2 ZINC001160372186 1223156700 /nfs/dbraw/zinc/15/67/00/1223156700.db2.gz OZUSZYKYOBHTCV-OAHLLOKOSA-N 2 0 365.478 0.072 20 0 FCADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001160424480 1223158770 /nfs/dbraw/zinc/15/87/70/1223158770.db2.gz VAULNAONMSXBRE-QEEHTWDDSA-N 2 0 357.502 0.831 20 0 FCADRP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160434821 1223159670 /nfs/dbraw/zinc/15/96/70/1223159670.db2.gz HOFBYRSJFGDLML-DNVCBOLYSA-N 2 0 368.441 0.789 20 0 FCADRP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001160485008 1223162222 /nfs/dbraw/zinc/16/22/22/1223162222.db2.gz MZYFVVDJLHTPRT-KRWDZBQOSA-N 2 0 361.494 0.848 20 0 FCADRP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)C[NH2+]CCC[NH3+])cn1 ZINC001160490253 1223162596 /nfs/dbraw/zinc/16/25/96/1223162596.db2.gz JXEZINRAMWQINB-UHFFFAOYSA-N 2 0 361.494 0.721 20 0 FCADRP COC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160581996 1223165178 /nfs/dbraw/zinc/16/51/78/1223165178.db2.gz JQCLESOURIBXHH-HRCADAONSA-N 2 0 368.522 0.850 20 0 FCADRP CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160595021 1223165795 /nfs/dbraw/zinc/16/57/95/1223165795.db2.gz AKXVRQIJZDERDP-LJQANCHMSA-N 2 0 372.513 0.886 20 0 FCADRP [NH3+][C@@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001160589544 1223166013 /nfs/dbraw/zinc/16/60/13/1223166013.db2.gz YAYIWZHVLTYXNJ-MRXNPFEDSA-N 3 0 357.458 0.170 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CCC[C@H]([NH3+])C2)CCO1 ZINC001160643229 1223167151 /nfs/dbraw/zinc/16/71/51/1223167151.db2.gz DLYUBVQZIZWLAK-BXWFABGCSA-N 2 0 371.485 0.818 20 0 FCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778865 1223172110 /nfs/dbraw/zinc/17/21/10/1223172110.db2.gz BFDWDTGUEYLAQF-FORWCCJISA-N 2 0 356.470 0.324 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])Cc3cccc(O)c3)C[C@H]1C2 ZINC001160792238 1223173256 /nfs/dbraw/zinc/17/32/56/1223173256.db2.gz UKEPAWODXSLYPF-MMIUEUIISA-N 2 0 373.453 0.119 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[C@]4(C3)C[NH2+]CCO4)C[C@H]1C[NH2+]CC2 ZINC001160810580 1223174815 /nfs/dbraw/zinc/17/48/15/1223174815.db2.gz CMSYNIZNROHDQU-VVWQDTPRSA-N 2 0 365.474 0.146 20 0 FCADRP CS(=O)(=O)c1nc2c(c(-n3c(C[NH3+])cc4ccncc43)n1)CC[NH2+]CC2 ZINC001160957032 1223181517 /nfs/dbraw/zinc/18/15/17/1223181517.db2.gz BSOWMBRGDOTODQ-UHFFFAOYSA-N 2 0 372.454 0.366 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999787 1223182294 /nfs/dbraw/zinc/18/22/94/1223182294.db2.gz KPXDOBMCKVQQQU-RTBURBONSA-N 2 0 372.513 0.566 20 0 FCADRP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007511 1223183158 /nfs/dbraw/zinc/18/31/58/1223183158.db2.gz KJFHJZBZTXGIAS-WMZOPIPTSA-N 2 0 354.454 0.820 20 0 FCADRP O=C(N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001161000529 1223183289 /nfs/dbraw/zinc/18/32/89/1223183289.db2.gz USSNPYKBBVFSDF-QGZVFWFLSA-N 2 0 358.486 0.709 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001241 1223183318 /nfs/dbraw/zinc/18/33/18/1223183318.db2.gz WYSIQGBJDMWFHG-JKSUJKDBSA-N 2 0 361.442 0.163 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161154114 1223187856 /nfs/dbraw/zinc/18/78/56/1223187856.db2.gz VHJUVURKHIQKBH-UHFFFAOYSA-N 2 0 362.474 0.734 20 0 FCADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161213294 1223189707 /nfs/dbraw/zinc/18/97/07/1223189707.db2.gz UMAOVNQVBJBIFU-UHFFFAOYSA-N 2 0 358.490 0.738 20 0 FCADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161203385 1223189982 /nfs/dbraw/zinc/18/99/82/1223189982.db2.gz CYNPAAPLEHDXCW-INIZCTEOSA-N 2 0 373.505 0.162 20 0 FCADRP O=C(NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)c1cccc(F)c1 ZINC001161252789 1223192044 /nfs/dbraw/zinc/19/20/44/1223192044.db2.gz OKKIYVXMANQGSF-FOIQADDNSA-N 2 0 374.460 0.746 20 0 FCADRP CCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001161253375 1223192556 /nfs/dbraw/zinc/19/25/56/1223192556.db2.gz QOWGCGQNCQFGOF-HZPDHXFCSA-N 2 0 359.474 0.798 20 0 FCADRP [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001161294139 1223193416 /nfs/dbraw/zinc/19/34/16/1223193416.db2.gz MYPBNKYYGIUUGX-WKILWMFISA-N 2 0 353.474 0.848 20 0 FCADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C2CCOCC2)CC1 ZINC001161315879 1223195678 /nfs/dbraw/zinc/19/56/78/1223195678.db2.gz DOGRSSOSEYWFEG-JYJNAYRXSA-N 2 0 361.490 0.880 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378298 1223197247 /nfs/dbraw/zinc/19/72/47/1223197247.db2.gz LUCIQPVBGVOBKT-MOPGFXCFSA-N 2 0 373.545 0.906 20 0 FCADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC001161412109 1223198329 /nfs/dbraw/zinc/19/83/29/1223198329.db2.gz GCEMMXHCJDGIBE-QYHDQYMBSA-N 2 0 371.437 0.867 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]12 ZINC001161414677 1223198530 /nfs/dbraw/zinc/19/85/30/1223198530.db2.gz YNOFXMCKMRTZGR-AKHDSKFASA-N 2 0 354.498 0.904 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447752 1223199590 /nfs/dbraw/zinc/19/95/90/1223199590.db2.gz ZBCAMZLLKHNMGN-WDSOQIARSA-N 3 0 360.502 0.938 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2ccc(C(=O)N3CCC([NH3+])CC3)cc2)CC12COC2 ZINC001161506640 1223202815 /nfs/dbraw/zinc/20/28/15/1223202815.db2.gz MUCJBMWWURLFNL-MRXNPFEDSA-N 2 0 358.442 0.050 20 0 FCADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(NCc2nnn3c2C[NH2+]CCC3)cc1 ZINC001162980308 1223223105 /nfs/dbraw/zinc/22/31/05/1223223105.db2.gz YFNOUYFANWZNQF-CQSZACIVSA-N 2 0 358.446 0.674 20 0 FCADRP c1ncc(OCC[NH+]2CCCC2)nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163011375 1223223307 /nfs/dbraw/zinc/22/33/07/1223223307.db2.gz GHSKWZZUQYKOLG-UHFFFAOYSA-N 2 0 358.450 0.648 20 0 FCADRP c1ncc([C@H]2C[NH+]3CCC2CC3)nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017111 1223224124 /nfs/dbraw/zinc/22/41/24/1223224124.db2.gz RRMYEHAACIXANC-AWEZNQCLSA-N 2 0 354.462 0.983 20 0 FCADRP COC(=O)[C@H](C[NH3+])Cc1ccc(NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001163028320 1223224647 /nfs/dbraw/zinc/22/46/47/1223224647.db2.gz ZLIRIHOZMDZPKP-AWEZNQCLSA-N 2 0 358.446 0.674 20 0 FCADRP C[NH+]1CCN(c2ccc(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)nn2)CC1 ZINC001163129164 1223227123 /nfs/dbraw/zinc/22/71/23/1223227123.db2.gz HXVPTPOXEDDEGA-UHFFFAOYSA-N 2 0 355.490 0.775 20 0 FCADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C(=O)NC2CCOCC2)nn1 ZINC001163129103 1223227201 /nfs/dbraw/zinc/22/72/01/1223227201.db2.gz GTJYYMAOMQGENI-UHFFFAOYSA-N 2 0 363.466 0.663 20 0 FCADRP COc1ccc(CN2CC[NH+](C)CC2)cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163254617 1223228561 /nfs/dbraw/zinc/22/85/61/1223228561.db2.gz OPXFWDSBDJRTQA-IEBWSBKVSA-N 2 0 359.474 0.433 20 0 FCADRP COc1ccc(CN2CC[NH+](C)CC2)cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163254619 1223228713 /nfs/dbraw/zinc/22/87/13/1223228713.db2.gz OPXFWDSBDJRTQA-PKOBYXMFSA-N 2 0 359.474 0.433 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001164583369 1223240243 /nfs/dbraw/zinc/24/02/43/1223240243.db2.gz XXKPXWNLIOARRY-JKSUJKDBSA-N 2 0 365.522 0.618 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165370592 1223245203 /nfs/dbraw/zinc/24/52/03/1223245203.db2.gz BGJGNVZZTUHTAC-HUUCEWRRSA-N 2 0 371.363 0.601 20 0 FCADRP [NH3+]Cc1cc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001165675893 1223253119 /nfs/dbraw/zinc/25/31/19/1223253119.db2.gz LFFARPWMSNMCMM-NJAFHUGGSA-N 2 0 368.489 0.906 20 0 FCADRP CC[C@@H](C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728865 1223255207 /nfs/dbraw/zinc/25/52/07/1223255207.db2.gz WGKOFFPFLZQHCU-BZUAXINKSA-N 2 0 368.522 0.496 20 0 FCADRP CCn1nncc1C[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165727799 1223255500 /nfs/dbraw/zinc/25/55/00/1223255500.db2.gz INFCVKSHDJGHPL-GDBMZVCRSA-N 2 0 364.494 0.393 20 0 FCADRP Cc1c(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cnn1C ZINC001204571440 1223303755 /nfs/dbraw/zinc/30/37/55/1223303755.db2.gz KRRZGJCPCYLUDU-UHFFFAOYSA-N 2 0 363.506 0.731 20 0 FCADRP Cc1nn(C)cc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001204579912 1223303837 /nfs/dbraw/zinc/30/38/37/1223303837.db2.gz KEKWXJICXWDQHF-UHFFFAOYSA-N 2 0 363.506 0.731 20 0 FCADRP CC(C)[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001205150929 1223312624 /nfs/dbraw/zinc/31/26/24/1223312624.db2.gz KQIWJKVIIRZUKW-QRVBRYPASA-N 2 0 363.502 0.639 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205211224 1223317307 /nfs/dbraw/zinc/31/73/07/1223317307.db2.gz BDVNWTNELWMHQC-GUDVDZBRSA-N 2 0 361.486 0.394 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205306985 1223319545 /nfs/dbraw/zinc/31/95/45/1223319545.db2.gz JCVKGDHUERVXEX-DLBZAZTESA-N 2 0 364.465 0.798 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCO)C1 ZINC001205318879 1223320158 /nfs/dbraw/zinc/32/01/58/1223320158.db2.gz SORKFVZZZBOPBS-ZWKOTPCHSA-N 2 0 367.465 0.670 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205458810 1223324295 /nfs/dbraw/zinc/32/42/95/1223324295.db2.gz VLDPMERYFXYTAA-RRQGHBQHSA-N 2 0 364.465 0.924 20 0 FCADRP COCC[NH+]1CCC2(CN(C(=O)COCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205516637 1223329670 /nfs/dbraw/zinc/32/96/70/1223329670.db2.gz OCKNQWDRAHFTHL-DLBZAZTESA-N 2 0 369.506 0.150 20 0 FCADRP CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519654 1223330773 /nfs/dbraw/zinc/33/07/73/1223330773.db2.gz YREYAVNCLPMZKK-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205572118 1223332114 /nfs/dbraw/zinc/33/21/14/1223332114.db2.gz CQCHNJGNVZWAKI-USXIJHARSA-N 2 0 362.449 0.550 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648517 1223333986 /nfs/dbraw/zinc/33/39/86/1223333986.db2.gz LGXOSDOEBJBVEW-DOTOQJQBSA-N 2 0 364.465 0.798 20 0 FCADRP CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207537481 1223452574 /nfs/dbraw/zinc/45/25/74/1223452574.db2.gz BIHDAGBGOAFZBJ-MGPQQGTHSA-N 2 0 367.494 0.141 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859257 1223487295 /nfs/dbraw/zinc/48/72/95/1223487295.db2.gz MVQAZUHXVDBUNB-NVXWUHKLSA-N 2 0 366.506 0.204 20 0 FCADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001208066107 1223512394 /nfs/dbraw/zinc/51/23/94/1223512394.db2.gz OVCDHFJTWIJDDO-JZXOWHBKSA-N 2 0 366.506 0.060 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208074643 1223514425 /nfs/dbraw/zinc/51/44/25/1223514425.db2.gz ZYXKBYFPOIJSSP-QLFBSQMISA-N 2 0 367.494 0.143 20 0 FCADRP C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163412 1223520372 /nfs/dbraw/zinc/52/03/72/1223520372.db2.gz FTNNDPQHBAUEKD-HZSPNIEDSA-N 2 0 367.494 0.271 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441516 1223545855 /nfs/dbraw/zinc/54/58/55/1223545855.db2.gz JDVUFJHHXRDNOO-SOLBZPMBSA-N 2 0 367.490 0.935 20 0 FCADRP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208609069 1223561944 /nfs/dbraw/zinc/56/19/44/1223561944.db2.gz UIYDOFZBDKRYFP-MRXNPFEDSA-N 2 0 360.502 0.679 20 0 FCADRP COC(=O)[C@@H](C)C[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001208726341 1223572701 /nfs/dbraw/zinc/57/27/01/1223572701.db2.gz OQAONMFLXBLHPT-KRWDZBQOSA-N 2 0 366.550 0.972 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+](CCC[NH+](C)C)CC2)C1=O ZINC001276611761 1223596162 /nfs/dbraw/zinc/59/61/62/1223596162.db2.gz WMSGDHGYICBNQL-VQIMIIECSA-N 2 0 369.506 0.831 20 0 FCADRP CC(C)=CCN1C[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276629926 1223608383 /nfs/dbraw/zinc/60/83/83/1223608383.db2.gz FGHJCHMJFQTADY-FQEVSTJZSA-N 2 0 364.534 0.893 20 0 FCADRP C[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(CCN(Cc4cnoc4)C3=O)C2)CC1 ZINC001276636599 1223613498 /nfs/dbraw/zinc/61/34/98/1223613498.db2.gz PGSHFVWEUWVSMP-LJQANCHMSA-N 2 0 361.490 0.737 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001209643261 1223636178 /nfs/dbraw/zinc/63/61/78/1223636178.db2.gz WWQRNJZMFBORJE-JFIYKMOQSA-N 2 0 371.522 0.321 20 0 FCADRP Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)ncn1 ZINC001209837024 1223652467 /nfs/dbraw/zinc/65/24/67/1223652467.db2.gz UJEVQZXSPCSUPS-RDTXWAMCSA-N 2 0 361.490 0.832 20 0 FCADRP CCN1CC[C@H](N2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001209837388 1223652756 /nfs/dbraw/zinc/65/27/56/1223652756.db2.gz XNUCLWIFSQUCIR-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433612 1223690843 /nfs/dbraw/zinc/69/08/43/1223690843.db2.gz URJBLCGMILHEGA-IXDOHACOSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433775 1223690938 /nfs/dbraw/zinc/69/09/38/1223690938.db2.gz WRNPJMYQIQJHRV-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210486513 1223694452 /nfs/dbraw/zinc/69/44/52/1223694452.db2.gz XXSMSRGMJFUOSC-IXDOHACOSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094906 1223725477 /nfs/dbraw/zinc/72/54/77/1223725477.db2.gz YGIUHCISRCVENM-BZUAXINKSA-N 2 0 364.490 0.494 20 0 FCADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310005 1223734303 /nfs/dbraw/zinc/73/43/03/1223734303.db2.gz MJVFOHUPHIFCNC-SJLPKXTDSA-N 2 0 368.522 0.452 20 0 FCADRP CCOCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343634 1223736567 /nfs/dbraw/zinc/73/65/67/1223736567.db2.gz CZHVDFGHYKRGOL-IAGOWNOFSA-N 2 0 368.522 0.452 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213095 1223769550 /nfs/dbraw/zinc/76/95/50/1223769550.db2.gz FMHIZAIULOJADE-GVDBMIGSSA-N 2 0 371.522 0.321 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378045 1223792194 /nfs/dbraw/zinc/79/21/94/1223792194.db2.gz CHLYWCQZKDXITD-IEBWSBKVSA-N 2 0 361.486 0.931 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213757316 1223844775 /nfs/dbraw/zinc/84/47/75/1223844775.db2.gz CUMHJCFKTJHTNC-IAGOWNOFSA-N 2 0 362.474 0.443 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759305 1223845391 /nfs/dbraw/zinc/84/53/91/1223845391.db2.gz FXUQVGHZYATDLV-BZUAXINKSA-N 2 0 370.538 0.837 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914652 1223871114 /nfs/dbraw/zinc/87/11/14/1223871114.db2.gz PZLQFGZXNQJYCL-QZTJIDSGSA-N 2 0 363.506 0.654 20 0 FCADRP Cc1noc(CCC[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166450 1248712748 /nfs/dbraw/zinc/71/27/48/1248712748.db2.gz KTECWKFKSLQSAU-NHMWIVBRSA-N 2 0 361.490 0.945 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CCOCCO ZINC001214849672 1223947995 /nfs/dbraw/zinc/94/79/95/1223947995.db2.gz ASYZMMISTYYMSF-NXHRZFHOSA-N 2 0 369.506 0.075 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214847575 1223948122 /nfs/dbraw/zinc/94/81/22/1223948122.db2.gz JZPBENYCKOEKIH-GDBMZVCRSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214850624 1223948132 /nfs/dbraw/zinc/94/81/32/1223948132.db2.gz ZAFOOVPYQBARHR-OIISXLGYSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215058211 1223969169 /nfs/dbraw/zinc/96/91/69/1223969169.db2.gz FGZUPWMAIOTFDG-IXDOHACOSA-N 2 0 361.490 0.309 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CCOCCO ZINC001215122867 1223975907 /nfs/dbraw/zinc/97/59/07/1223975907.db2.gz WYLYJZIPIWDAOW-RHSMWYFYSA-N 2 0 359.430 0.326 20 0 FCADRP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215200206 1223981835 /nfs/dbraw/zinc/98/18/35/1223981835.db2.gz SLEPHBSVANZTJH-HUUCEWRRSA-N 2 0 363.506 0.952 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219406 1223983371 /nfs/dbraw/zinc/98/33/71/1223983371.db2.gz AJAPDWRHDMHQLW-IIDMSEBBSA-N 2 0 360.502 0.975 20 0 FCADRP COc1nccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978177449 1248716949 /nfs/dbraw/zinc/71/69/49/1248716949.db2.gz HPCHUJIZHMVSTK-NHMWIVBRSA-N 2 0 359.474 0.619 20 0 FCADRP Cc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)o1 ZINC001215458866 1224000801 /nfs/dbraw/zinc/00/08/01/1224000801.db2.gz NMFDJYFPSOIMSC-RHSMWYFYSA-N 2 0 364.490 0.935 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)C1 ZINC001215541026 1224005109 /nfs/dbraw/zinc/00/51/09/1224005109.db2.gz VEWGCMCSWSIJES-BZUAXINKSA-N 2 0 367.538 0.862 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540791 1224005199 /nfs/dbraw/zinc/00/51/99/1224005199.db2.gz QCPVGTLAGSZOPY-RRFJBIMHSA-N 2 0 367.494 0.001 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1)[NH+]1CCCC1 ZINC001215598344 1224008069 /nfs/dbraw/zinc/00/80/69/1224008069.db2.gz ADVFVENACQOGGY-BFYDXBDKSA-N 2 0 364.494 0.253 20 0 FCADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1)[NH+]1CCCC1 ZINC001215598858 1224008918 /nfs/dbraw/zinc/00/89/18/1224008918.db2.gz JZSDXVRTLBCITC-SOLBZPMBSA-N 2 0 363.506 0.858 20 0 FCADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1)[NH+]1CCCC1 ZINC001215599156 1224008992 /nfs/dbraw/zinc/00/89/92/1224008992.db2.gz SYPZPRVJBITSRB-JFIYKMOQSA-N 2 0 363.506 0.858 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778200 1224017446 /nfs/dbraw/zinc/01/74/46/1224017446.db2.gz DKTFCMWRSCUEJV-UKRRQHHQSA-N 2 0 367.494 0.001 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215973161 1224027665 /nfs/dbraw/zinc/02/76/65/1224027665.db2.gz VMEWGHLNVWARRC-HUUCEWRRSA-N 2 0 369.510 0.391 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215972996 1224027791 /nfs/dbraw/zinc/02/77/91/1224027791.db2.gz JZAGDBBCOKANGQ-IAGOWNOFSA-N 2 0 367.538 0.960 20 0 FCADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090542 1224033723 /nfs/dbraw/zinc/03/37/23/1224033723.db2.gz JUCRWMXNRGVSLU-NVXWUHKLSA-N 2 0 368.522 0.401 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC001216514261 1224053853 /nfs/dbraw/zinc/05/38/53/1224053853.db2.gz CBLJOBKKQKEOIP-IUODEOHRSA-N 2 0 364.494 0.743 20 0 FCADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752465 1224068518 /nfs/dbraw/zinc/06/85/18/1224068518.db2.gz PPLFEOIFHBXFOH-KCPJHIHWSA-N 2 0 362.478 0.353 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838939 1224077556 /nfs/dbraw/zinc/07/75/56/1224077556.db2.gz JGWZJQIRUBGJDW-SJLPKXTDSA-N 2 0 368.522 0.452 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216851943 1224079180 /nfs/dbraw/zinc/07/91/80/1224079180.db2.gz LSERFYPKDIQZOI-QLFBSQMISA-N 2 0 362.478 0.580 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001216981272 1224083237 /nfs/dbraw/zinc/08/32/37/1224083237.db2.gz ZPLQRYCMFGMZRQ-IAGOWNOFSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC001217010498 1224084635 /nfs/dbraw/zinc/08/46/35/1224084635.db2.gz RCQFDJFHEYIYJE-SJLPKXTDSA-N 2 0 369.469 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCCNC4=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282720 1248775815 /nfs/dbraw/zinc/77/58/15/1248775815.db2.gz GOHHYVLTKSBULR-WVPQZDDBSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987518361 1249072434 /nfs/dbraw/zinc/07/24/34/1249072434.db2.gz RQACGZRKWDYRMZ-PVAVHDDUSA-N 2 0 366.506 0.155 20 0 FCADRP C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC000823783882 1245321078 /nfs/dbraw/zinc/32/10/78/1245321078.db2.gz DBAGCVWDTGBOGG-HQRMLTQVSA-N 2 0 360.502 0.374 20 0 FCADRP [NH2+]=C(NCCCn1cc(CO)nn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849085205 1245392090 /nfs/dbraw/zinc/39/20/90/1245392090.db2.gz HXPIYCQDDABNAV-UHFFFAOYSA-N 2 0 371.489 0.939 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111651 1245393025 /nfs/dbraw/zinc/39/30/25/1245393025.db2.gz YPWDUHUQGAICOX-OAHLLOKOSA-N 2 0 370.542 0.899 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1OC ZINC000849106471 1245393044 /nfs/dbraw/zinc/39/30/44/1245393044.db2.gz QUOPYFAMQSOAHU-INIZCTEOSA-N 2 0 361.490 0.952 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891511453 1245452203 /nfs/dbraw/zinc/45/22/03/1245452203.db2.gz CKOHSXQDJXDQPB-CVEARBPZSA-N 2 0 361.494 0.510 20 0 FCADRP C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000891601467 1245456880 /nfs/dbraw/zinc/45/68/80/1245456880.db2.gz GABROYUMPHYTQA-IRXDYDNUSA-N 2 0 367.538 0.328 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000911516499 1245503999 /nfs/dbraw/zinc/50/39/99/1245503999.db2.gz KZABDGJPSZQVBX-KBAYOESNSA-N 2 0 356.470 0.814 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])C2)CC1 ZINC000911518222 1245504645 /nfs/dbraw/zinc/50/46/45/1245504645.db2.gz QHVIZVFVWJNXEI-BHIYHBOVSA-N 2 0 370.497 0.918 20 0 FCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000916759377 1245539505 /nfs/dbraw/zinc/53/95/05/1245539505.db2.gz LFXFALAZZPSXSN-MRXNPFEDSA-N 2 0 361.494 0.382 20 0 FCADRP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282236 1245706043 /nfs/dbraw/zinc/70/60/43/1245706043.db2.gz UGRNZYXWFJBWOS-CVEARBPZSA-N 2 0 365.474 0.612 20 0 FCADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000931606512 1245742473 /nfs/dbraw/zinc/74/24/73/1245742473.db2.gz ALYQUWOOIIZCPF-MRXNPFEDSA-N 2 0 373.501 0.954 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000938911345 1245947020 /nfs/dbraw/zinc/94/70/20/1245947020.db2.gz HYSKJHQWYFOMIS-IXDOHACOSA-N 2 0 362.518 0.872 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000994219617 1250291245 /nfs/dbraw/zinc/29/12/45/1250291245.db2.gz SFUQMPKAVXBXBW-JOCBIADPSA-N 2 0 364.534 0.879 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943796553 1247415644 /nfs/dbraw/zinc/41/56/44/1247415644.db2.gz LLNDJCLYNYVRFW-IAGOWNOFSA-N 2 0 371.441 0.386 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943796988 1247416637 /nfs/dbraw/zinc/41/66/37/1247416637.db2.gz SVWALVMYEUKTHO-IXDOHACOSA-N 2 0 371.441 0.384 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396638 1247549826 /nfs/dbraw/zinc/54/98/26/1247549826.db2.gz YMVFDQOQKDORDG-BZUAXINKSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)CC2)CC[N@@H+]1C ZINC000944947813 1247688888 /nfs/dbraw/zinc/68/88/88/1247688888.db2.gz NPERIJPROADXMC-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000946770332 1248003037 /nfs/dbraw/zinc/00/30/37/1248003037.db2.gz LOWQDRVDWVQQLU-USXIJHARSA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000946777972 1248011521 /nfs/dbraw/zinc/01/15/21/1248011521.db2.gz IEGUGOPMMPDHHO-OWCLPIDISA-N 2 0 366.506 0.155 20 0 FCADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001327933542 1265457443 /nfs/dbraw/zinc/45/74/43/1265457443.db2.gz YDPUMKLMBVQAKU-HNNXBMFYSA-N 2 0 362.478 0.530 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000976595483 1248269947 /nfs/dbraw/zinc/26/99/47/1248269947.db2.gz LKPZTKKYIDEFRE-MTSZKFMLSA-N 2 0 362.518 0.774 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[NH+](C)[C@@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976598321 1248273210 /nfs/dbraw/zinc/27/32/10/1248273210.db2.gz CBYDYAWLKBAZRN-NDVFFRQXSA-N 2 0 362.518 0.630 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976601159 1248279157 /nfs/dbraw/zinc/27/91/57/1248279157.db2.gz RANZLCMGIWHVBW-JLOCXQCDSA-N 2 0 362.518 0.632 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000994335722 1250384793 /nfs/dbraw/zinc/38/47/93/1250384793.db2.gz NOSIYHNOMTXETM-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001328438384 1265548767 /nfs/dbraw/zinc/54/87/67/1265548767.db2.gz WUANUQVABDRICC-CYBMUJFWSA-N 2 0 359.434 0.268 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC000996496258 1251362451 /nfs/dbraw/zinc/36/24/51/1251362451.db2.gz WOXGAPKYEYVMFD-GOEBONIOSA-N 2 0 359.474 0.819 20 0 FCADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C1CC1 ZINC000996608176 1251403174 /nfs/dbraw/zinc/40/31/74/1251403174.db2.gz RCABRBONYMWHNJ-WOSRLPQWSA-N 2 0 361.494 0.990 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC000997794278 1251709736 /nfs/dbraw/zinc/70/97/36/1251709736.db2.gz YVIKJMBQNGPQNJ-CWRNSKLLSA-N 2 0 363.510 0.830 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1)C2 ZINC000997879240 1251733198 /nfs/dbraw/zinc/73/31/98/1251733198.db2.gz QPKQEVQWNLORMA-KMFMINBZSA-N 2 0 368.441 0.906 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC000998567128 1251913642 /nfs/dbraw/zinc/91/36/42/1251913642.db2.gz QLRHWEIAVXHHQW-YVSFHVDLSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656559 1251942503 /nfs/dbraw/zinc/94/25/03/1251942503.db2.gz TXJBQABFHJYJRH-YVSFHVDLSA-N 2 0 360.502 0.815 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCOC)C3)nn2)CC[N@@H+]1C ZINC000999985667 1252259699 /nfs/dbraw/zinc/25/96/99/1252259699.db2.gz DFGGHXWVPFJECI-IXDOHACOSA-N 2 0 364.494 0.518 20 0 FCADRP Cc1nccn1CC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002528248 1252589319 /nfs/dbraw/zinc/58/93/19/1252589319.db2.gz MNBWXWMOFSYFRB-HYVNUMGLSA-N 2 0 361.490 0.981 20 0 FCADRP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC001002789353 1252674094 /nfs/dbraw/zinc/67/40/94/1252674094.db2.gz DGMROEBKZWZCEM-TVFCKZIOSA-N 2 0 362.518 0.918 20 0 FCADRP Cn1ccnc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002826722 1252691733 /nfs/dbraw/zinc/69/17/33/1252691733.db2.gz GLIXIMDAPJCHCZ-OAGGEKHMSA-N 2 0 359.474 0.697 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001002862562 1252713222 /nfs/dbraw/zinc/71/32/22/1252713222.db2.gz LNJFFRPKNJLGGX-OKZBNKHCSA-N 2 0 363.506 0.555 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003745299 1253088447 /nfs/dbraw/zinc/08/84/47/1253088447.db2.gz IAHADERASOILJJ-HPBDAGMYSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362849 1265715468 /nfs/dbraw/zinc/71/54/68/1265715468.db2.gz MNTBNEKDKJVJJQ-VQIMIIECSA-N 2 0 360.502 0.674 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004392265 1253312327 /nfs/dbraw/zinc/31/23/27/1253312327.db2.gz BMBAAYJMMYADSK-HZMVEIRTSA-N 2 0 360.502 0.672 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647931 1265798804 /nfs/dbraw/zinc/79/88/04/1265798804.db2.gz RPKVUCUMORTNDA-WFASDCNBSA-N 2 0 358.442 0.408 20 0 FCADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@H]1C[NH+](C)CCN1C ZINC001519902874 1265795962 /nfs/dbraw/zinc/79/59/62/1265795962.db2.gz VNLZNQJYEXOOET-OWCLPIDISA-N 2 0 355.527 0.107 20 0 FCADRP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001519902864 1265796468 /nfs/dbraw/zinc/79/64/68/1265796468.db2.gz VJUQWUVTCSXBQA-WBVHZDCISA-N 2 0 355.527 0.373 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001329678464 1265810941 /nfs/dbraw/zinc/81/09/41/1265810941.db2.gz GYTJSRMIYHKBHQ-XBVQOTNRSA-N 2 0 366.506 0.317 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+](CC)CC)CC[N@@H+]1C ZINC001061623195 1254194239 /nfs/dbraw/zinc/19/42/39/1254194239.db2.gz VYQVEGKOYVIHMY-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)CC)CC[N@@H+]1C ZINC001061622007 1254194290 /nfs/dbraw/zinc/19/42/90/1254194290.db2.gz KGWGVIIJXUHFTE-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001061826561 1254228371 /nfs/dbraw/zinc/22/83/71/1254228371.db2.gz CNJPDRDRXZPENX-BZUAXINKSA-N 2 0 366.506 0.012 20 0 FCADRP CN(C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC001329843648 1265871234 /nfs/dbraw/zinc/87/12/34/1265871234.db2.gz QJFDPUHOFISSLS-UHFFFAOYSA-N 2 0 373.501 0.620 20 0 FCADRP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@H+](C)CCN1C ZINC001520257754 1265890626 /nfs/dbraw/zinc/89/06/26/1265890626.db2.gz AAXCRMIPABIUJE-GDBMZVCRSA-N 2 0 363.510 0.906 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001329935971 1265899426 /nfs/dbraw/zinc/89/94/26/1265899426.db2.gz ATBMBFMEKJJEFZ-MRXNPFEDSA-N 2 0 360.506 0.586 20 0 FCADRP Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001329938518 1265900981 /nfs/dbraw/zinc/90/09/81/1265900981.db2.gz OWPURJRHNSIJJL-GASCZTMLSA-N 2 0 359.474 0.539 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2O)cn1 ZINC001077817882 1255018058 /nfs/dbraw/zinc/01/80/58/1255018058.db2.gz AERXYJJAJYSHSQ-QZTJIDSGSA-N 2 0 363.506 0.800 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011694 1255166838 /nfs/dbraw/zinc/16/68/38/1255166838.db2.gz CADXNMVNPSHKKK-QZTJIDSGSA-N 2 0 354.454 0.925 20 0 FCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001078224568 1255337093 /nfs/dbraw/zinc/33/70/93/1255337093.db2.gz OHOWREUGESYNEL-KFKAGJAMSA-N 2 0 361.486 0.950 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001078230638 1255344582 /nfs/dbraw/zinc/34/45/82/1255344582.db2.gz KRZCWSJNLANLFL-KFKAGJAMSA-N 2 0 361.486 0.950 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001079146709 1255459075 /nfs/dbraw/zinc/45/90/75/1255459075.db2.gz BXZAFGXFNGELMN-IPMKNSEASA-N 2 0 361.486 0.394 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079198569 1255470741 /nfs/dbraw/zinc/47/07/41/1255470741.db2.gz HFIWONSEEZXWAH-RRQGHBQHSA-N 2 0 362.449 0.537 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cccc(F)c1 ZINC001079207303 1255472020 /nfs/dbraw/zinc/47/20/20/1255472020.db2.gz ZAGHIYZKCMVNGX-JKSUJKDBSA-N 2 0 360.433 0.291 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079260959 1255492086 /nfs/dbraw/zinc/49/20/86/1255492086.db2.gz YABYTHNYEHNTED-FGTMMUONSA-N 2 0 365.518 0.793 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079300312 1255503751 /nfs/dbraw/zinc/50/37/51/1255503751.db2.gz BLWRNRACDKNETG-USXIJHARSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079310694 1255506016 /nfs/dbraw/zinc/50/60/16/1255506016.db2.gz DSRCDNSRCXIWDE-JLJPHGGASA-N 2 0 362.449 0.679 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079318404 1255507227 /nfs/dbraw/zinc/50/72/27/1255507227.db2.gz BIKLWFIIKSXIOX-UKPHBRMFSA-N 2 0 362.449 0.537 20 0 FCADRP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001080038066 1255720632 /nfs/dbraw/zinc/72/06/32/1255720632.db2.gz YWIBYNCOUVWTKV-RHSMWYFYSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161209 1255765778 /nfs/dbraw/zinc/76/57/78/1255765778.db2.gz RFOWJGNULFTKPR-QCZOYZIOSA-N 2 0 359.474 0.183 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754274 1256018761 /nfs/dbraw/zinc/01/87/61/1256018761.db2.gz FRQRTBHRPAJGTA-ZTFGCOKTSA-N 2 0 362.518 0.776 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786533 1256038125 /nfs/dbraw/zinc/03/81/25/1256038125.db2.gz PENHHFSPJRAZRH-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080876847 1256069773 /nfs/dbraw/zinc/06/97/73/1256069773.db2.gz SFKVCHQZZYPRMS-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081115948 1256183930 /nfs/dbraw/zinc/18/39/30/1256183930.db2.gz WTFNBMOIICDOJN-KSZLIROESA-N 2 0 358.486 0.929 20 0 FCADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1 ZINC001081118617 1256185009 /nfs/dbraw/zinc/18/50/09/1256185009.db2.gz NAWCKDMSBVYONP-RCCFBDPRSA-N 2 0 356.470 0.398 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001081173820 1256198525 /nfs/dbraw/zinc/19/85/25/1256198525.db2.gz OTFASIFYHCPQKE-GBESFXJTSA-N 2 0 370.497 0.801 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326470 1256666371 /nfs/dbraw/zinc/66/63/71/1256666371.db2.gz FDQDMPTWYFLMJG-RCCFBDPRSA-N 2 0 363.506 0.657 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082449923 1256767304 /nfs/dbraw/zinc/76/73/04/1256767304.db2.gz OVQJUWLDEZNTFW-RBSFLKMASA-N 2 0 363.510 0.501 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082508081 1256794149 /nfs/dbraw/zinc/79/41/49/1256794149.db2.gz PGZWZYYPWALZIR-BRWVUGGUSA-N 2 0 366.506 0.155 20 0 FCADRP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515316 1256799317 /nfs/dbraw/zinc/79/93/17/1256799317.db2.gz ITHDIJAYJLSBGE-KBRIMQKVSA-N 2 0 359.474 0.764 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)ncn1 ZINC001082517907 1256801236 /nfs/dbraw/zinc/80/12/36/1256801236.db2.gz NYECXFKUIUCULI-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082555820 1256851207 /nfs/dbraw/zinc/85/12/07/1256851207.db2.gz MIUYVCJUPFGFAQ-IXDOHACOSA-N 2 0 365.522 0.426 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)ccc2c[nH+]cn21 ZINC001082610035 1256921075 /nfs/dbraw/zinc/92/10/75/1256921075.db2.gz XSDZKXDOJPOWGN-XFBWCDHKSA-N 2 0 369.425 0.498 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082637203 1256944641 /nfs/dbraw/zinc/94/46/41/1256944641.db2.gz RRQBMFHYHWUXAC-UKPHBRMFSA-N 2 0 368.441 0.596 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082719815 1257009273 /nfs/dbraw/zinc/00/92/73/1257009273.db2.gz OFBIYRWJROOCLC-ZTFGCOKTSA-N 2 0 362.518 0.918 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)cn1 ZINC001082798334 1257057173 /nfs/dbraw/zinc/05/71/73/1257057173.db2.gz OBTNPBFXURKYFZ-RDTXWAMCSA-N 2 0 371.489 0.793 20 0 FCADRP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1 ZINC001082919741 1257144150 /nfs/dbraw/zinc/14/41/50/1257144150.db2.gz DHOXQGDOGIXPRA-FHLIZLRMSA-N 2 0 358.486 0.934 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001082923632 1257148432 /nfs/dbraw/zinc/14/84/32/1257148432.db2.gz UWIQTXIHIACATE-SOLBZPMBSA-N 2 0 363.506 0.367 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083132507 1257378557 /nfs/dbraw/zinc/37/85/57/1257378557.db2.gz ZEPUBUZPMBQXPB-FHLIZLRMSA-N 2 0 356.426 0.896 20 0 FCADRP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083132508 1257378783 /nfs/dbraw/zinc/37/87/83/1257378783.db2.gz ZEPUBUZPMBQXPB-JCGIZDLHSA-N 2 0 356.426 0.896 20 0 FCADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001083149083 1257405105 /nfs/dbraw/zinc/40/51/05/1257405105.db2.gz XNLMGNFUJVYSGS-VVJOJPPRSA-N 2 0 361.486 0.561 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782624 1257528797 /nfs/dbraw/zinc/52/87/97/1257528797.db2.gz DSCZBGQZNCHZAN-KURKYZTESA-N 2 0 367.534 0.821 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083955087 1257743731 /nfs/dbraw/zinc/74/37/31/1257743731.db2.gz WBPFIKGLUMXZFC-QRQLOZEOSA-N 2 0 361.486 0.741 20 0 FCADRP [NH3+]CCN(CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Cc1ccccc1 ZINC001331066660 1266139302 /nfs/dbraw/zinc/13/93/02/1266139302.db2.gz MSOWBCSWMUYESU-SFHVURJKSA-N 2 0 360.502 0.722 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052877 1257862393 /nfs/dbraw/zinc/86/23/93/1257862393.db2.gz KRGXWDDXCKVOCU-UHOSZYNNSA-N 2 0 354.454 0.848 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052947 1257865476 /nfs/dbraw/zinc/86/54/76/1257865476.db2.gz NKCKZCVZDVRNMO-KSZLIROESA-N 2 0 354.454 0.848 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001084090831 1257915522 /nfs/dbraw/zinc/91/55/22/1257915522.db2.gz KRZCWSJNLANLFL-LZQZEXGQSA-N 2 0 361.486 0.950 20 0 FCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331135188 1266154672 /nfs/dbraw/zinc/15/46/72/1266154672.db2.gz WJALEVAWQKGVEE-BZSNNMDCSA-N 2 0 370.497 0.976 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@H+](CCn4cccn4)C[C@H]32)n1 ZINC001084352097 1258043868 /nfs/dbraw/zinc/04/38/68/1258043868.db2.gz QFPOFVYJOUYUFT-SJLPKXTDSA-N 2 0 371.489 0.488 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001331195745 1266167582 /nfs/dbraw/zinc/16/75/82/1266167582.db2.gz HXAUWEZAEDDFSW-DCIVCYTQSA-N 2 0 356.470 0.430 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001084631159 1258211334 /nfs/dbraw/zinc/21/13/34/1258211334.db2.gz FPARTDCXZONDMJ-QZTJIDSGSA-N 2 0 362.518 0.873 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001084630899 1258211495 /nfs/dbraw/zinc/21/14/95/1258211495.db2.gz ZCWQUWGTEHIGLR-KBAYOESNSA-N 2 0 362.518 0.777 20 0 FCADRP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)n1 ZINC001084906004 1258429562 /nfs/dbraw/zinc/42/95/62/1258429562.db2.gz XAMFCVHIACNJOH-KURKYZTESA-N 2 0 360.506 0.912 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084943783 1258456309 /nfs/dbraw/zinc/45/63/09/1258456309.db2.gz ZUNRZWQVCAAOIB-TVFCKZIOSA-N 2 0 362.518 0.872 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)CC1 ZINC001085022643 1258528828 /nfs/dbraw/zinc/52/88/28/1258528828.db2.gz YIPKICAKNFVXSN-AEFFLSMTSA-N 2 0 362.518 0.873 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1)[NH+](C)C ZINC001085035014 1258538130 /nfs/dbraw/zinc/53/81/30/1258538130.db2.gz BMEDPYJNPLXDSO-IKGGRYGDSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001331319504 1266192067 /nfs/dbraw/zinc/19/20/67/1266192067.db2.gz NNOCKGPNBUCCSP-AWEZNQCLSA-N 2 0 362.474 0.113 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074740 1258570177 /nfs/dbraw/zinc/57/01/77/1258570177.db2.gz AJPPNSMJIFKIHH-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331343292 1266197359 /nfs/dbraw/zinc/19/73/59/1266197359.db2.gz DZYUTMAFAMCZGF-XIRDDKMYSA-N 2 0 363.506 0.513 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085093712 1258587621 /nfs/dbraw/zinc/58/76/21/1258587621.db2.gz XUTDPKTYSOBMOU-SQNIBIBYSA-N 2 0 361.490 0.263 20 0 FCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088172863 1258693995 /nfs/dbraw/zinc/69/39/95/1258693995.db2.gz HXHHFTWLTMWZLH-JKIFEVAISA-N 2 0 357.458 0.430 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331395411 1266207060 /nfs/dbraw/zinc/20/70/60/1266207060.db2.gz DIQDSMIZNRKYRS-RCCFBDPRSA-N 2 0 367.538 0.600 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828164 1258857478 /nfs/dbraw/zinc/85/74/78/1258857478.db2.gz HOGLTRKRKCBGOL-XPKDYRNWSA-N 2 0 369.425 0.437 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829814 1258860240 /nfs/dbraw/zinc/86/02/40/1258860240.db2.gz IIAAKLGQALVHJC-FRFSOERESA-N 2 0 355.442 0.863 20 0 FCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001331454116 1266218084 /nfs/dbraw/zinc/21/80/84/1266218084.db2.gz RVYJJSFQSQEOBW-IEBWSBKVSA-N 2 0 365.522 0.178 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)C1 ZINC001106666772 1258936610 /nfs/dbraw/zinc/93/66/10/1258936610.db2.gz ULFZAKVPVAAENT-ARFHVFGLSA-N 2 0 364.490 0.161 20 0 FCADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106665367 1258936756 /nfs/dbraw/zinc/93/67/56/1258936756.db2.gz UIJOFWLOHPSEJF-RBSFLKMASA-N 2 0 363.462 0.782 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C)C(N)=O ZINC001106667364 1258937084 /nfs/dbraw/zinc/93/70/84/1258937084.db2.gz WEVAEYBDCRACEH-IIDMSEBBSA-N 2 0 360.502 0.962 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C)C(N)=O ZINC001106667365 1258937552 /nfs/dbraw/zinc/93/75/52/1258937552.db2.gz WEVAEYBDCRACEH-RVKKMQEKSA-N 2 0 360.502 0.962 20 0 FCADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860440 1258980687 /nfs/dbraw/zinc/98/06/87/1258980687.db2.gz ZGFHPTPBUHRIDF-CRAIPNDOSA-N 2 0 364.534 0.929 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874869 1258985264 /nfs/dbraw/zinc/98/52/64/1258985264.db2.gz VZSAKTOKIPRZAA-IXDOHACOSA-N 2 0 368.522 0.165 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106877914 1258985975 /nfs/dbraw/zinc/98/59/75/1258985975.db2.gz CQYISZFKSMXHRG-RHSMWYFYSA-N 2 0 366.510 0.157 20 0 FCADRP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106880170 1258986507 /nfs/dbraw/zinc/98/65/07/1258986507.db2.gz CKCREKPCTFNUSO-GDBMZVCRSA-N 2 0 366.510 0.369 20 0 FCADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106877800 1258986525 /nfs/dbraw/zinc/98/65/25/1258986525.db2.gz AHQGNSOADXORRG-HUUCEWRRSA-N 2 0 365.478 0.248 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106885039 1258987425 /nfs/dbraw/zinc/98/74/25/1258987425.db2.gz QGKIBXOAFRAWSH-HUUCEWRRSA-N 2 0 361.490 0.970 20 0 FCADRP CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881764 1258987482 /nfs/dbraw/zinc/98/74/82/1258987482.db2.gz JKMFFIODUKYDDH-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106882099 1258987761 /nfs/dbraw/zinc/98/77/61/1258987761.db2.gz PJTKXSHINUUOQE-KZNAEPCWSA-N 2 0 371.522 0.444 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106907895 1258993963 /nfs/dbraw/zinc/99/39/63/1258993963.db2.gz HUBKVFSTYBJDMI-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907421 1258994793 /nfs/dbraw/zinc/99/47/93/1258994793.db2.gz KOGNXIFKXZGTBP-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106985953 1259011795 /nfs/dbraw/zinc/01/17/95/1259011795.db2.gz AKMWQIRRECJHCE-FGTMMUONSA-N 2 0 371.522 0.302 20 0 FCADRP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2)C1CC1 ZINC001107439165 1259088361 /nfs/dbraw/zinc/08/83/61/1259088361.db2.gz TXZDYJMXEHMYFO-IMFGXOCKSA-N 2 0 362.518 0.920 20 0 FCADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522663 1259107298 /nfs/dbraw/zinc/10/72/98/1259107298.db2.gz NGNNBAGKBNHWNN-RDTXWAMCSA-N 2 0 367.494 0.145 20 0 FCADRP Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)CCC[NH+](C)C)CCC[C@@H]23)nc1=O ZINC001107522835 1259107365 /nfs/dbraw/zinc/10/73/65/1259107365.db2.gz WWTYEFINOKBWAJ-RDTXWAMCSA-N 2 0 364.494 0.311 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609429 1259132364 /nfs/dbraw/zinc/13/23/64/1259132364.db2.gz ROWFRIMKVPKTNV-IEBWSBKVSA-N 2 0 371.522 0.588 20 0 FCADRP COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127644332 1259182744 /nfs/dbraw/zinc/18/27/44/1259182744.db2.gz ZSSVPMUNOGPZBM-GDBMZVCRSA-N 2 0 362.474 0.357 20 0 FCADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660329 1259184479 /nfs/dbraw/zinc/18/44/79/1259184479.db2.gz VXYOZSBNTKWVLU-GZBFAFLISA-N 2 0 364.494 0.410 20 0 FCADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004251 1259288196 /nfs/dbraw/zinc/28/81/96/1259288196.db2.gz NOXGAUNCSQTLGU-HZMVEIRTSA-N 2 0 364.494 0.386 20 0 FCADRP C[N@H+](CCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)C1CCCCC1 ZINC001129127638 1259323749 /nfs/dbraw/zinc/32/37/49/1259323749.db2.gz IYVUFAWHLUDNPT-SJORKVTESA-N 2 0 364.494 0.267 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228314 1259349396 /nfs/dbraw/zinc/34/93/96/1259349396.db2.gz NFWBRGTVCWSEAX-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001200637007 1259419317 /nfs/dbraw/zinc/41/93/17/1259419317.db2.gz NYMWYUKUDAKKBM-UKRRQHHQSA-N 2 0 363.462 0.842 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001211669276 1259425873 /nfs/dbraw/zinc/42/58/73/1259425873.db2.gz RFJDLYOXSKWLMS-OKZBNKHCSA-N 2 0 358.486 0.801 20 0 FCADRP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2ccccc2)C1=O ZINC001211669059 1259426247 /nfs/dbraw/zinc/42/62/47/1259426247.db2.gz HCNFKUJGCGGSBA-RCCFBDPRSA-N 2 0 358.486 0.753 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670107 1266262192 /nfs/dbraw/zinc/26/21/92/1266262192.db2.gz TXOPRHVHFPFIIZ-BZSNNMDCSA-N 2 0 358.486 0.615 20 0 FCADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405786 1259491613 /nfs/dbraw/zinc/49/16/13/1259491613.db2.gz BZXWKURKLVHFMG-KZNAEPCWSA-N 2 0 369.506 0.482 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407719 1259493781 /nfs/dbraw/zinc/49/37/81/1259493781.db2.gz DBHMYKJRBYJLJA-HZPDHXFCSA-N 2 0 366.506 0.299 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419246 1259499686 /nfs/dbraw/zinc/49/96/86/1259499686.db2.gz XRSJZLDWACIEMJ-BZUAXINKSA-N 2 0 362.478 0.065 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230056 1259537034 /nfs/dbraw/zinc/53/70/34/1259537034.db2.gz WRMGNSCEQYKJNH-QLFBSQMISA-N 2 0 369.510 0.387 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cnn4ccccc34)CC[C@@H]2C1 ZINC001233237128 1259547146 /nfs/dbraw/zinc/54/71/46/1259547146.db2.gz OKVCQWFTQLIJOT-VQIMIIECSA-N 2 0 371.485 0.945 20 0 FCADRP c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[C@@H]4OCC[NH2+][C@H]4C3)cnc12 ZINC001235207044 1259568503 /nfs/dbraw/zinc/56/85/03/1259568503.db2.gz UGTPNJUAOZQJQY-ROUUACIJSA-N 2 0 356.474 0.759 20 0 FCADRP [NH3+]CCNC(=O)c1cccc(C[NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC001235299642 1259568987 /nfs/dbraw/zinc/56/89/87/1259568987.db2.gz VHYKOYIJVARVOP-UHFFFAOYSA-N 3 0 373.501 0.019 20 0 FCADRP Fc1cc(F)cc(-c2n[nH]cc2CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235869971 1259582260 /nfs/dbraw/zinc/58/22/60/1259582260.db2.gz GJOKAEBLXXSOMW-UHFFFAOYSA-N 2 0 364.444 0.939 20 0 FCADRP CCOC(=O)c1cc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)[nH]n1 ZINC001236027092 1259585261 /nfs/dbraw/zinc/58/52/61/1259585261.db2.gz IPSWFVHKPSFUJO-KEIZMWOVSA-N 2 0 362.430 0.417 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-c2ccccn2)n1 ZINC001236312205 1259588747 /nfs/dbraw/zinc/58/87/47/1259588747.db2.gz QFNBYYUXDYJUTR-UHFFFAOYSA-N 2 0 356.474 0.759 20 0 FCADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)c1OC ZINC001236307306 1259588803 /nfs/dbraw/zinc/58/88/03/1259588803.db2.gz AKGMOYQLGZHLRD-UHFFFAOYSA-N 2 0 368.478 0.328 20 0 FCADRP COc1nc2ccccc2cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309825 1259589368 /nfs/dbraw/zinc/58/93/68/1259589368.db2.gz QDFOONUDQSZINH-UHFFFAOYSA-N 2 0 359.474 0.859 20 0 FCADRP C[C@H]1CN(c2ccc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)nn2)CC[NH2+]1 ZINC001240111857 1259625366 /nfs/dbraw/zinc/62/53/66/1259625366.db2.gz DUYRHUWRYNKPAU-HNNXBMFYSA-N 2 0 366.469 0.987 20 0 FCADRP COc1c(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)ncnc1C1C[NH2+]C1 ZINC001240119149 1259626719 /nfs/dbraw/zinc/62/67/19/1259626719.db2.gz GJSRYTWTUYIJEQ-UHFFFAOYSA-N 2 0 353.426 0.884 20 0 FCADRP O=S(=O)(c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1)[C@H]1CC[NH2+]C1 ZINC001241899888 1259632168 /nfs/dbraw/zinc/63/21/68/1259632168.db2.gz GKIUSAAJNZRUPZ-KRWDZBQOSA-N 2 0 373.482 0.689 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)CC1 ZINC001331727833 1266273928 /nfs/dbraw/zinc/27/39/28/1266273928.db2.gz JOFSTYVZALYXKV-UHFFFAOYSA-N 2 0 360.506 0.200 20 0 FCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384624 1259636089 /nfs/dbraw/zinc/63/60/89/1259636089.db2.gz PEJSOCPYJUTOIH-QAPCUYQASA-N 2 0 369.531 0.739 20 0 FCADRP C[C@@](O)(CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCc1ccccc1 ZINC001245986059 1259643232 /nfs/dbraw/zinc/64/32/32/1259643232.db2.gz NZHZMCYOUOIHIR-PKOBYXMFSA-N 2 0 361.486 0.945 20 0 FCADRP O[C@H](C[NH2+]CC1(Cc2cccnc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246010761 1259644074 /nfs/dbraw/zinc/64/40/74/1259644074.db2.gz ZEUAWGDMMDUYKB-SFHVURJKSA-N 3 0 362.518 0.449 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246070615 1259647764 /nfs/dbraw/zinc/64/77/64/1259647764.db2.gz OBAAPAKEEMJIQB-YTQUADARSA-N 3 0 368.472 0.693 20 0 FCADRP O=c1ccc2c(n1CCN1CCOCC1)CC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246157464 1259650040 /nfs/dbraw/zinc/65/00/40/1259650040.db2.gz ORDMRELYSZOPIS-SFHVURJKSA-N 2 0 360.502 0.379 20 0 FCADRP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246415848 1259652948 /nfs/dbraw/zinc/65/29/48/1259652948.db2.gz LJLIIOZMWYEQBH-AWEZNQCLSA-N 2 0 371.478 0.614 20 0 FCADRP N[C@H](CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246485475 1259654256 /nfs/dbraw/zinc/65/42/56/1259654256.db2.gz LWLMPXRSJBWKGD-ZWKOTPCHSA-N 2 0 360.502 0.911 20 0 FCADRP CC(C)C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(=O)OC(C)(C)C ZINC001246514978 1259654305 /nfs/dbraw/zinc/65/43/05/1259654305.db2.gz BPRHWPFFUIKKHJ-GJZGRUSLSA-N 2 0 368.522 0.543 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246642107 1259657449 /nfs/dbraw/zinc/65/74/49/1259657449.db2.gz BHQUTIZHNVOGQJ-IRHLINNNSA-N 2 0 374.489 0.245 20 0 FCADRP O=C1NCC[C@]12CN([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631934 1259657896 /nfs/dbraw/zinc/65/78/96/1259657896.db2.gz YBADMZLZZGRRCO-OPYAIIAOSA-N 2 0 354.498 0.761 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]C[C@]4(CCCC(=O)N4)C3)C[C@H](C1)[NH2+]2 ZINC001246653107 1259660049 /nfs/dbraw/zinc/66/00/49/1259660049.db2.gz REJPUDYXAADQGH-VFDYCRHWSA-N 2 0 364.490 0.003 20 0 FCADRP Fc1cnc(N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)[C@@H]2CCC[NH2+]C2)nc1 ZINC001246687338 1259660202 /nfs/dbraw/zinc/66/02/02/1259660202.db2.gz LKQUIAQVPQFNEZ-QGPMSJSTSA-N 2 0 365.453 0.569 20 0 FCADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CN[C@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682884 1259660273 /nfs/dbraw/zinc/66/02/73/1259660273.db2.gz OMXKWMKCGSYKDT-LNMJFAINSA-N 2 0 367.490 0.535 20 0 FCADRP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC001246691522 1259662254 /nfs/dbraw/zinc/66/22/54/1259662254.db2.gz YHJJTQSZXQOKGL-FJIDUMEYSA-N 2 0 362.518 0.476 20 0 FCADRP O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12 ZINC001246694235 1259662745 /nfs/dbraw/zinc/66/27/45/1259662745.db2.gz MZMFUHADWQCJEE-BMFAXAFESA-N 2 0 362.518 0.476 20 0 FCADRP Cn1ncc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2COc1cccnc1 ZINC001246696275 1259662817 /nfs/dbraw/zinc/66/28/17/1259662817.db2.gz QYKFFRFVHZHURK-JKSUJKDBSA-N 2 0 368.485 0.887 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@]12CCN(c1cccnc1)C2=O ZINC001246705819 1259664499 /nfs/dbraw/zinc/66/44/99/1259664499.db2.gz YTJZPRRIPONFEG-GQIGUUNPSA-N 2 0 355.486 0.850 20 0 FCADRP Cc1cccc(CO[C@@H]2C[C@@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)n1 ZINC001246709225 1259666252 /nfs/dbraw/zinc/66/62/52/1259666252.db2.gz QWQWXXLMCJTQPG-VAMGGRTRSA-N 2 0 371.529 0.759 20 0 FCADRP CC(C)C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452943 1259668617 /nfs/dbraw/zinc/66/86/17/1259668617.db2.gz RDNPMEAZZFBAQO-KURKYZTESA-N 2 0 354.539 0.608 20 0 FCADRP Cn1cc([C@@H]2CC(=O)N(C)C23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246737438 1259673619 /nfs/dbraw/zinc/67/36/19/1259673619.db2.gz PZCDVOOUKKVAOE-IRXDYDNUSA-N 2 0 372.517 0.294 20 0 FCADRP O=C1NC2(C[C@H]1c1ccncc1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744116 1259676279 /nfs/dbraw/zinc/67/62/79/1259676279.db2.gz JFANLNBYTCTBBP-SJORKVTESA-N 2 0 355.486 0.614 20 0 FCADRP O=C(NC1CCCC1)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246745709 1259676672 /nfs/dbraw/zinc/67/66/72/1259676672.db2.gz FZUUHABTXFMRLJ-CQSZACIVSA-N 2 0 358.490 0.468 20 0 FCADRP O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766023 1259684419 /nfs/dbraw/zinc/68/44/19/1259684419.db2.gz OKCVTUGVPPAAOI-JXFKEZNVSA-N 2 0 374.485 0.681 20 0 FCADRP Cn1cc(N2CC[C@@]3(CCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768943 1259687262 /nfs/dbraw/zinc/68/72/62/1259687262.db2.gz CZPHAYVDRMAGDZ-MAUKXSAKSA-N 2 0 358.490 0.333 20 0 FCADRP O=C([C@H]1C[C@@]2(CO1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774331 1259689496 /nfs/dbraw/zinc/68/94/96/1259689496.db2.gz MLFYWZIFRMMWKH-BISRIHTFSA-N 2 0 363.502 0.999 20 0 FCADRP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246773894 1259689822 /nfs/dbraw/zinc/68/98/22/1259689822.db2.gz WGHZUPUJAJCDBK-HZPDHXFCSA-N 2 0 359.474 0.924 20 0 FCADRP COc1ccc([C@@H]2C[C@H](N3CC[NH2+]CCNCC[NH2+]CC3)CCO2)cc1 ZINC001246819548 1259690298 /nfs/dbraw/zinc/69/02/98/1259690298.db2.gz GUCFTJGCYBDZPJ-QUCCMNQESA-N 2 0 362.518 1.000 20 0 FCADRP O=c1c2ccccc2nnn1C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246885721 1259692821 /nfs/dbraw/zinc/69/28/21/1259692821.db2.gz XEVISFHTXHVDTI-OAHLLOKOSA-N 2 0 354.458 0.522 20 0 FCADRP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4C[NH2+]CC[C@H]4O)n3)c2)CC1 ZINC001247754546 1259704794 /nfs/dbraw/zinc/70/47/94/1259704794.db2.gz ANMUKWYDIVCWQQ-DLBZAZTESA-N 2 0 357.458 0.922 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)cc2)CC1 ZINC001247851156 1259707258 /nfs/dbraw/zinc/70/72/58/1259707258.db2.gz SUJMPCIQTNPMEI-KXBFYZLASA-N 2 0 355.442 0.976 20 0 FCADRP C[NH+]1CCN(c2ccc(-c3noc(COCCOCC[NH3+])n3)cc2)CC1 ZINC001248347423 1259709482 /nfs/dbraw/zinc/70/94/82/1259709482.db2.gz VNPQYONBSVHPFF-UHFFFAOYSA-N 2 0 361.446 0.980 20 0 FCADRP CCn1nc(C)c(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC001335569286 1259721311 /nfs/dbraw/zinc/72/13/11/1259721311.db2.gz UGUDSOSTDAIWNH-IYBDPMFKSA-N 2 0 361.494 0.717 20 0 FCADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252416790 1259785989 /nfs/dbraw/zinc/78/59/89/1259785989.db2.gz CUMSNBRCOKLSSU-BRSBDYLESA-N 2 0 370.490 0.501 20 0 FCADRP OCCc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](C3COC3)CC2)cc1 ZINC001253174172 1259825229 /nfs/dbraw/zinc/82/52/29/1259825229.db2.gz URTFAEVBWKWCJT-LJQANCHMSA-N 2 0 364.486 0.662 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181594 1259825343 /nfs/dbraw/zinc/82/53/43/1259825343.db2.gz FVHUUDBINHIKSU-MSOLQXFVSA-N 2 0 365.518 0.816 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253182957 1259827136 /nfs/dbraw/zinc/82/71/36/1259827136.db2.gz WDUSKIFITCIXJY-XDNAFOTISA-N 2 0 369.506 0.438 20 0 FCADRP O=C(C[NH+]1CCC(CO)CC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001335821409 1259856609 /nfs/dbraw/zinc/85/66/09/1259856609.db2.gz XSCSBQLFGKOMIE-ROUUACIJSA-N 2 0 353.507 0.575 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001335840155 1259863849 /nfs/dbraw/zinc/86/38/49/1259863849.db2.gz ZROQCNGLVLRKGA-SJLPKXTDSA-N 2 0 352.523 0.175 20 0 FCADRP O=C1NC(=O)C2(CC[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)N1 ZINC001254039213 1259868155 /nfs/dbraw/zinc/86/81/55/1259868155.db2.gz APRZTZWGLQLVHU-UHFFFAOYSA-N 2 0 372.469 0.688 20 0 FCADRP CCOC(=O)CNC(=O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049256 1259870566 /nfs/dbraw/zinc/87/05/66/1259870566.db2.gz BOQCLNQUCUKYOZ-UHFFFAOYSA-N 2 0 363.458 0.282 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN([C@@H]2CC4CC[NH+](CC4)C2)CC3)CC1 ZINC001254856051 1259897855 /nfs/dbraw/zinc/89/78/55/1259897855.db2.gz DAMOOFLVNOGHBN-LJQANCHMSA-N 2 0 358.534 0.930 20 0 FCADRP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001255433373 1259913341 /nfs/dbraw/zinc/91/33/41/1259913341.db2.gz IDCCWHMCZBNSIJ-OAHLLOKOSA-N 2 0 370.505 0.596 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)ccn2)CC1 ZINC001331848356 1266294882 /nfs/dbraw/zinc/29/48/82/1266294882.db2.gz BGUAENFWCOZARV-VQIMIIECSA-N 2 0 358.490 0.917 20 0 FCADRP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)nc12 ZINC001256779051 1259959683 /nfs/dbraw/zinc/95/96/83/1259959683.db2.gz ARSUSGYDDKVEIY-HNNXBMFYSA-N 2 0 357.458 0.712 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001522012406 1266299497 /nfs/dbraw/zinc/29/94/97/1266299497.db2.gz ZBIBTZUFLMMHCR-FUHWJXTLSA-N 2 0 367.538 0.103 20 0 FCADRP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC001257212852 1260001499 /nfs/dbraw/zinc/00/14/99/1260001499.db2.gz DGLQUVZCDNUENK-IHRRRGAJSA-N 2 0 370.494 0.020 20 0 FCADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CCC[NH+](C)C)CC2)C[C@H]1C(=O)OC ZINC001257743134 1260027242 /nfs/dbraw/zinc/02/72/42/1260027242.db2.gz JWCMQAMMSLRQQL-GVDBMIGSSA-N 2 0 369.506 0.687 20 0 FCADRP [NH3+]C1CCN(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001336194500 1260036236 /nfs/dbraw/zinc/03/62/36/1260036236.db2.gz XSUXZFGNQDCTPC-HDICACEKSA-N 2 0 364.538 0.020 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270978 1260063926 /nfs/dbraw/zinc/06/39/26/1260063926.db2.gz IBAUGCVIAWQKGH-GMBSWORKSA-N 2 0 360.458 0.608 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001331950094 1266309273 /nfs/dbraw/zinc/30/92/73/1266309273.db2.gz SBDXJPVNKZYDCT-AWEZNQCLSA-N 2 0 362.474 0.113 20 0 FCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC001261423498 1260138516 /nfs/dbraw/zinc/13/85/16/1260138516.db2.gz XYITURLQDLSYDL-UHFFFAOYSA-N 2 0 358.486 0.979 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001261492074 1260148942 /nfs/dbraw/zinc/14/89/42/1260148942.db2.gz QAFKEEDUAVOEOZ-SJORKVTESA-N 2 0 362.474 0.242 20 0 FCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC001336723544 1260208934 /nfs/dbraw/zinc/20/89/34/1260208934.db2.gz NYNGXVICOSHEAM-MRXNPFEDSA-N 2 0 351.447 0.050 20 0 FCADRP [NH3+]C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCOCC1 ZINC001336909448 1260250690 /nfs/dbraw/zinc/25/06/90/1260250690.db2.gz YJJDSRJUBVNXIW-IYBDPMFKSA-N 3 0 351.495 0.105 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C(F)(F)F ZINC001336925631 1260254741 /nfs/dbraw/zinc/25/47/41/1260254741.db2.gz CXZLUFAAHFTXDQ-IJLUTSLNSA-N 2 0 350.385 0.676 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC001262066221 1260254893 /nfs/dbraw/zinc/25/48/93/1260254893.db2.gz VTNMKCPAWLDLJU-ULQDDVLXSA-N 2 0 367.538 0.008 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001262073306 1260256858 /nfs/dbraw/zinc/25/68/58/1260256858.db2.gz NNYQPBLBOFKLRT-MAEOIBBWSA-N 2 0 358.486 0.883 20 0 FCADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001336965681 1260270576 /nfs/dbraw/zinc/27/05/76/1260270576.db2.gz PFWJUVCRRLSVCZ-HNNXBMFYSA-N 2 0 362.474 0.631 20 0 FCADRP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337016930 1260285968 /nfs/dbraw/zinc/28/59/68/1260285968.db2.gz YPWFVLBXYIBKEQ-SJORKVTESA-N 2 0 353.511 0.224 20 0 FCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337078528 1260303025 /nfs/dbraw/zinc/30/30/25/1260303025.db2.gz YWYYEXFABWRZJS-IAGOWNOFSA-N 2 0 354.539 0.923 20 0 FCADRP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1CN(C)CCO1 ZINC001262578070 1260329466 /nfs/dbraw/zinc/32/94/66/1260329466.db2.gz HNPUKPKEBPOTOF-BGTYHANMSA-N 2 0 365.522 0.316 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574005 1260329639 /nfs/dbraw/zinc/32/96/39/1260329639.db2.gz ILPZQXVWIYQASK-YOEHRIQHSA-N 2 0 371.428 0.767 20 0 FCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[NH2+]CCN2C)c1 ZINC001263099882 1260339348 /nfs/dbraw/zinc/33/93/48/1260339348.db2.gz XLQGNAFTYRYEGW-GOSISDBHSA-N 2 0 364.490 0.163 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756091 1260355645 /nfs/dbraw/zinc/35/56/45/1260355645.db2.gz FDFRRJNQXBCTKO-OXJNMPFZSA-N 2 0 372.513 0.648 20 0 FCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001337440607 1260402317 /nfs/dbraw/zinc/40/23/17/1260402317.db2.gz JFZISSUCTXJXFQ-IYBDPMFKSA-N 2 0 362.474 0.487 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC001337456992 1260405864 /nfs/dbraw/zinc/40/58/64/1260405864.db2.gz WZCZMRJQYPZMQQ-QGPMSJSTSA-N 2 0 374.485 0.802 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001337498477 1260417206 /nfs/dbraw/zinc/41/72/06/1260417206.db2.gz HSPQRUADRXYANO-CGTJXYLNSA-N 2 0 358.486 0.820 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337529804 1260423609 /nfs/dbraw/zinc/42/36/09/1260423609.db2.gz JZHKWAVORFKHRY-KOMQPUFPSA-N 2 0 350.438 0.569 20 0 FCADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]2C1 ZINC001337805829 1260488430 /nfs/dbraw/zinc/48/84/30/1260488430.db2.gz OKDKZLCVNANEKF-ARFHVFGLSA-N 3 0 363.506 0.622 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001338265471 1260602659 /nfs/dbraw/zinc/60/26/59/1260602659.db2.gz YAGBKYYTOZVAHW-UHFFFAOYSA-N 2 0 373.501 0.313 20 0 FCADRP CN1CCO[C@@H](C(=O)N2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217993 1260627125 /nfs/dbraw/zinc/62/71/25/1260627125.db2.gz PCFJFLKQXCHHOF-MJGOQNOKSA-N 2 0 361.490 0.528 20 0 FCADRP C[NH+]1CCN(CCCN2CCC3(CC[NH+](CC(C)(C)O)CC3)C2=O)CC1 ZINC001277761005 1260666549 /nfs/dbraw/zinc/66/65/49/1260666549.db2.gz DZEHOXKDTRSYQS-UHFFFAOYSA-N 2 0 366.550 0.709 20 0 FCADRP CCCCOC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778680 1260670397 /nfs/dbraw/zinc/67/03/97/1260670397.db2.gz RBOXWCGMTCLLIY-IEBWSBKVSA-N 2 0 371.522 0.277 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001278183276 1260686803 /nfs/dbraw/zinc/68/68/03/1260686803.db2.gz JFRWVTIRKTWKBH-ULQDDVLXSA-N 2 0 368.522 0.942 20 0 FCADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCOCC4)CC3)[C@H]2C1 ZINC001278464181 1260694914 /nfs/dbraw/zinc/69/49/14/1260694914.db2.gz IOEICLLBYLMOSP-ROUUACIJSA-N 2 0 364.534 0.487 20 0 FCADRP O=C1CC[C@@H](C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472467 1260695975 /nfs/dbraw/zinc/69/59/75/1260695975.db2.gz NMLVXHUGTDMRJB-XIRDDKMYSA-N 2 0 360.502 0.720 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H](C1)O2 ZINC001278769499 1260728732 /nfs/dbraw/zinc/72/87/32/1260728732.db2.gz NZHJLDGZRAEYAC-KDURUIRLSA-N 2 0 360.502 0.835 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2CC[N@H+](CCN3CCOCC3)[C@@H]2C1 ZINC001279247211 1260812145 /nfs/dbraw/zinc/81/21/45/1260812145.db2.gz RKSCPVHLUCQJAL-IPMKNSEASA-N 2 0 362.518 0.336 20 0 FCADRP C[NH+](C)CCN1CCN(Cc2ccncc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001279399063 1260860675 /nfs/dbraw/zinc/86/06/75/1260860675.db2.gz BPLIMRLQDQEETQ-LJQANCHMSA-N 2 0 363.481 0.939 20 0 FCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001332254005 1266367501 /nfs/dbraw/zinc/36/75/01/1266367501.db2.gz UCKYXZSCAPCTHA-BBWFWOEESA-N 2 0 366.506 0.210 20 0 FCADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001279590742 1260896812 /nfs/dbraw/zinc/89/68/12/1260896812.db2.gz ANBLFXIABHPZDM-KDURUIRLSA-N 2 0 358.534 0.654 20 0 FCADRP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001279619422 1260902152 /nfs/dbraw/zinc/90/21/52/1260902152.db2.gz BJCWGJODYDWPOS-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP COC[C@H](O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1 ZINC001279710298 1260918722 /nfs/dbraw/zinc/91/87/22/1260918722.db2.gz PJKKIDZOKDNQCL-KBRIMQKVSA-N 2 0 367.465 0.879 20 0 FCADRP C[NH+]1CCC(NC(=O)C23CC([NH2+]Cc4cn5ccncc5n4)(C2)C3)CC1 ZINC001279744006 1260926933 /nfs/dbraw/zinc/92/69/33/1260926933.db2.gz PBPRGIKXOJCVFV-UHFFFAOYSA-N 2 0 354.458 0.952 20 0 FCADRP O=C(NCCn1ccnn1)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001279871062 1260948308 /nfs/dbraw/zinc/94/83/08/1260948308.db2.gz LIIKMGLWFKRJPI-UHFFFAOYSA-N 2 0 360.506 0.981 20 0 FCADRP Cn1nncc1C[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280061524 1260987286 /nfs/dbraw/zinc/98/72/86/1260987286.db2.gz KYOOTKCOZYEUQV-QGZVFWFLSA-N 2 0 358.490 0.724 20 0 FCADRP CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991767 /nfs/dbraw/zinc/99/17/67/1260991767.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 2 0 360.506 0.328 20 0 FCADRP O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]CC1CC[NH2+]CC1)N1CC(N2CC(F)C2)C1 ZINC001280135251 1261013734 /nfs/dbraw/zinc/01/37/34/1261013734.db2.gz LGLJGPSYVCSEKL-LVFSCSRESA-N 2 0 364.509 0.855 20 0 FCADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280155040 1261016239 /nfs/dbraw/zinc/01/62/39/1261016239.db2.gz VQTXTAGXGPBZGQ-HOTGVXAUSA-N 2 0 360.458 0.590 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2COCCC23C[NH+](CC2(C)COC2)C3)CC1 ZINC001280180375 1261022690 /nfs/dbraw/zinc/02/26/90/1261022690.db2.gz HOYNXVJTIFYROD-KRWDZBQOSA-N 2 0 365.518 0.914 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001280210726 1261033941 /nfs/dbraw/zinc/03/39/41/1261033941.db2.gz GYPKUQRJHQJCOW-ALXJQNPVSA-N 2 0 364.534 0.881 20 0 FCADRP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CC[NH+]3CCCC3)C[C@@H]21 ZINC001280224820 1261039355 /nfs/dbraw/zinc/03/93/55/1261039355.db2.gz WGUVXURJYAAPFE-FHWLQOOXSA-N 2 0 362.518 0.478 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCN(CC[NH+](C)C)Cc2ccnn21 ZINC001280221693 1261039360 /nfs/dbraw/zinc/03/93/60/1261039360.db2.gz QXXNWMKLIOOLIJ-GOSISDBHSA-N 2 0 364.538 0.992 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2CN(CC[NH+]3CCCC3)C[C@@H](C1)O2 ZINC001280224442 1261039636 /nfs/dbraw/zinc/03/96/36/1261039636.db2.gz SJJFRSCPBQIBRC-CEXWTWQISA-N 2 0 362.518 0.478 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4COc5ccccc5O4)CC3)[C@@H]2C1 ZINC001280227940 1261040623 /nfs/dbraw/zinc/04/06/23/1261040623.db2.gz MDKYPMCXYZELAT-ARFHVFGLSA-N 2 0 357.454 0.969 20 0 FCADRP C[NH+]1CCN(CCC[NH+]2CC3(CN(C(=O)CCc4ccc[nH]4)C3)C2)CC1 ZINC001280247979 1261042329 /nfs/dbraw/zinc/04/23/29/1261042329.db2.gz YAMTTZCENPPOJU-UHFFFAOYSA-N 2 0 359.518 0.729 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)Nc4nccn4C)=NO[C@@H]3C2)CC1 ZINC001280249406 1261042417 /nfs/dbraw/zinc/04/24/17/1261042417.db2.gz SIWDMSLOAANQTB-LSDHHAIUSA-N 2 0 360.462 0.777 20 0 FCADRP CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)[C@H]1CC[NH2+]C1 ZINC001332364307 1266387532 /nfs/dbraw/zinc/38/75/32/1266387532.db2.gz FDAGJWMFFTZNLR-KRWDZBQOSA-N 2 0 373.501 0.896 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281852078 1261234904 /nfs/dbraw/zinc/23/49/04/1261234904.db2.gz PZSMQDZATADYPV-IXDOHACOSA-N 2 0 368.522 0.543 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC001281899221 1261268340 /nfs/dbraw/zinc/26/83/40/1261268340.db2.gz QQVHXOIZXJJBGS-SOLBZPMBSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)nnn1C1CC[NH2+]CC1 ZINC001332498883 1266416769 /nfs/dbraw/zinc/41/67/69/1266416769.db2.gz BXCKYNYIYONLFL-UHFFFAOYSA-N 2 0 362.478 0.448 20 0 FCADRP Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116658 1261637576 /nfs/dbraw/zinc/63/75/76/1261637576.db2.gz IBBIAXZMTAMSJN-CVEARBPZSA-N 2 0 373.501 0.802 20 0 FCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCC1 ZINC001580292430 1278101202 /nfs/dbraw/zinc/10/12/02/1278101202.db2.gz WBFOGPMYFNUDAF-ZDUSSCGKSA-N 2 0 358.450 0.476 20 0 FCADRP [NH3+]CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001580316674 1278118319 /nfs/dbraw/zinc/11/83/19/1278118319.db2.gz CZXMRNKZHLBDOC-HNNXBMFYSA-N 2 0 357.462 0.457 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580320795 1278121256 /nfs/dbraw/zinc/12/12/56/1278121256.db2.gz JIFGMQHNHYDTKJ-XYPHTWIQSA-N 2 0 369.473 0.897 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001289182248 1262141170 /nfs/dbraw/zinc/14/11/70/1262141170.db2.gz RYDFKGKZRZTKQA-JFIYKMOQSA-N 2 0 368.522 0.137 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC001289719700 1262322812 /nfs/dbraw/zinc/32/28/12/1262322812.db2.gz CHNQYTDTWPCXEX-CVEARBPZSA-N 2 0 368.522 0.281 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001290527341 1262464332 /nfs/dbraw/zinc/46/43/32/1262464332.db2.gz BLGPEQVLIKFNRK-ZJPYXAASSA-N 2 0 364.534 0.975 20 0 FCADRP CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001477926513 1263112149 /nfs/dbraw/zinc/11/21/49/1263112149.db2.gz IFLYANOYELPBKB-ZMSDIMECSA-N 2 0 354.495 0.506 20 0 FCADRP CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001477926510 1263112180 /nfs/dbraw/zinc/11/21/80/1263112180.db2.gz IFLYANOYELPBKB-BFYDXBDKSA-N 2 0 354.495 0.506 20 0 FCADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304849595 1263151790 /nfs/dbraw/zinc/15/17/90/1263151790.db2.gz DSRNCRMCTGGAPP-ZBFHGGJFSA-N 2 0 363.510 0.279 20 0 FCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001306907705 1263192454 /nfs/dbraw/zinc/19/24/54/1263192454.db2.gz ZGRLIZLFNMHAOU-JENIJYKNSA-N 2 0 369.506 0.122 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001479669756 1263325504 /nfs/dbraw/zinc/32/55/04/1263325504.db2.gz KWMHYVUKIQWYCM-BBWFWOEESA-N 2 0 371.547 0.543 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001317392661 1263509077 /nfs/dbraw/zinc/50/90/77/1263509077.db2.gz DGXMGWUARRIMMN-BFHYXJOUSA-N 2 0 367.494 0.141 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318502030 1263581440 /nfs/dbraw/zinc/58/14/40/1263581440.db2.gz FKKSGIBWMZRZCN-IAGOWNOFSA-N 2 0 365.522 0.809 20 0 FCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC001321410971 1263955567 /nfs/dbraw/zinc/95/55/67/1263955567.db2.gz WKVMKNYOODSPLE-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001321423395 1263959081 /nfs/dbraw/zinc/95/90/81/1263959081.db2.gz VLGYYKRHVRHESO-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2cccc(CN3CC[NH+](C)CC3)c2)C1=O ZINC001333583464 1266639908 /nfs/dbraw/zinc/63/99/08/1266639908.db2.gz ROFZUWYFASUMHP-KRWDZBQOSA-N 2 0 359.474 0.416 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)COC1 ZINC001321806571 1264068278 /nfs/dbraw/zinc/06/82/78/1264068278.db2.gz QXYMGMPKWPSABA-FPCVCCKLSA-N 2 0 366.506 0.012 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C=CCCC1 ZINC001322001390 1264126892 /nfs/dbraw/zinc/12/68/92/1264126892.db2.gz GXAFDFWHECAHFO-QGZVFWFLSA-N 2 0 371.485 0.935 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001502870478 1264183853 /nfs/dbraw/zinc/18/38/53/1264183853.db2.gz NIHIRUNOGOUYIQ-IXDOHACOSA-N 2 0 353.507 0.696 20 0 FCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001580400943 1278226318 /nfs/dbraw/zinc/22/63/18/1278226318.db2.gz VTFNWGXSXDMYHY-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580401872 1278228172 /nfs/dbraw/zinc/22/81/72/1278228172.db2.gz BFHGTEAOFYELMJ-CXAGYDPISA-N 2 0 369.473 0.803 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580402312 1278230264 /nfs/dbraw/zinc/23/02/64/1278230264.db2.gz KKSWACWNGNCCEK-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001506958898 1264347336 /nfs/dbraw/zinc/34/73/36/1264347336.db2.gz ZVGHQXPPKFCDMF-GDBMZVCRSA-N 2 0 359.536 0.684 20 0 FCADRP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001323511423 1264445643 /nfs/dbraw/zinc/44/56/43/1264445643.db2.gz JSXYMOARPUEFLB-IRXDYDNUSA-N 2 0 370.538 0.506 20 0 FCADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC1 ZINC001512846309 1264689898 /nfs/dbraw/zinc/68/98/98/1264689898.db2.gz LSJLDOYQRZIPRV-JKSUJKDBSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001512982333 1264793219 /nfs/dbraw/zinc/79/32/19/1264793219.db2.gz XAAJHWVHPUCTCD-IXDOHACOSA-N 2 0 366.506 0.031 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC001325412470 1264878211 /nfs/dbraw/zinc/87/82/11/1264878211.db2.gz BEESBPICVXZXDD-DOTOQJQBSA-N 2 0 373.501 0.250 20 0 FCADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001325426635 1264882825 /nfs/dbraw/zinc/88/28/25/1264882825.db2.gz GQPILQSVNLQFNY-RYQLBKOJSA-N 2 0 358.486 0.691 20 0 FCADRP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001325625353 1264950822 /nfs/dbraw/zinc/95/08/22/1264950822.db2.gz FMENYNWTSIOWAB-OAHLLOKOSA-N 2 0 361.490 0.487 20 0 FCADRP CN(C(=O)NCc1cc(C(N)=O)no1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001325721475 1264978504 /nfs/dbraw/zinc/97/85/04/1264978504.db2.gz FDYRRBCICHMAIO-CYBMUJFWSA-N 2 0 364.450 0.083 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC001325729137 1264980824 /nfs/dbraw/zinc/98/08/24/1264980824.db2.gz JGEXPGJQLQECAF-AWEZNQCLSA-N 2 0 374.489 0.692 20 0 FCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326278022 1265091290 /nfs/dbraw/zinc/09/12/90/1265091290.db2.gz POCVCQUPELDDJE-LSDHHAIUSA-N 2 0 361.490 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513419686 1265111579 /nfs/dbraw/zinc/11/15/79/1265111579.db2.gz NRANDEDIUCMPDS-HUUCEWRRSA-N 2 0 354.495 0.155 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001513581791 1265232022 /nfs/dbraw/zinc/23/20/22/1265232022.db2.gz AAUVWMAELBCZDO-IKGGRYGDSA-N 2 0 368.522 0.279 20 0 FCADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001522262943 1266449471 /nfs/dbraw/zinc/44/94/71/1266449471.db2.gz CZEZEIWFAHHSQM-SFHVURJKSA-N 2 0 352.479 0.702 20 0 FCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001332673678 1266458666 /nfs/dbraw/zinc/45/86/66/1266458666.db2.gz XXMNRTZHBKUHSA-UEXGIBASSA-N 2 0 370.497 0.965 20 0 FCADRP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575024 1266636081 /nfs/dbraw/zinc/63/60/81/1266636081.db2.gz RBDDXEWBODYEDN-ARFHVFGLSA-N 2 0 350.463 0.597 20 0 FCADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636428 1266660608 /nfs/dbraw/zinc/66/06/08/1266660608.db2.gz SFWSZDSAESRRLH-MSOLQXFVSA-N 2 0 369.469 0.650 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001334062542 1266800620 /nfs/dbraw/zinc/80/06/20/1266800620.db2.gz GSNIGKBBQZNNHC-IEBWSBKVSA-N 2 0 355.523 0.238 20 0 FCADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001532773877 1267186327 /nfs/dbraw/zinc/18/63/27/1267186327.db2.gz BZMITPGTORLZKF-OIISXLGYSA-N 2 0 352.523 0.925 20 0 FCADRP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@H]3[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC001548998171 1267785498 /nfs/dbraw/zinc/78/54/98/1267785498.db2.gz TUTIOHXSVILVPF-JFIYKMOQSA-N 2 0 373.501 0.551 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC001549210730 1267857294 /nfs/dbraw/zinc/85/72/94/1267857294.db2.gz LLLITCQHXFZHDL-YESZJQIVSA-N 2 0 350.438 0.949 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001549214788 1267859041 /nfs/dbraw/zinc/85/90/41/1267859041.db2.gz LVZKOFHFWFHVSL-CEXWTWQISA-N 2 0 357.502 0.821 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)CCN2C1=O ZINC001549215382 1267859066 /nfs/dbraw/zinc/85/90/66/1267859066.db2.gz QTQIAFXXOVLZDZ-YYIAUSFCSA-N 2 0 357.458 0.086 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1ccc(F)cc1 ZINC001549286796 1267888278 /nfs/dbraw/zinc/88/82/78/1267888278.db2.gz CQMHJPLBLQHVSZ-HOTGVXAUSA-N 2 0 358.421 0.909 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nn1 ZINC001549295573 1267892316 /nfs/dbraw/zinc/89/23/16/1267892316.db2.gz LFNREVQZKLPHNF-YQFWSFKMSA-N 2 0 362.478 0.113 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC001549295572 1267894166 /nfs/dbraw/zinc/89/41/66/1267894166.db2.gz LFNREVQZKLPHNF-YALNPMBYSA-N 2 0 362.478 0.113 20 0 FCADRP C[C@H](CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001549728137 1267980466 /nfs/dbraw/zinc/98/04/66/1267980466.db2.gz KDRYFSMONVBPLF-AZOIQLNYSA-N 2 0 350.507 0.775 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001549776882 1267997585 /nfs/dbraw/zinc/99/75/85/1267997585.db2.gz PYBVXPMLJJOOAX-GDBMZVCRSA-N 2 0 356.467 0.481 20 0 FCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001549776899 1267997614 /nfs/dbraw/zinc/99/76/14/1267997614.db2.gz SNSYREVUTIBUKZ-JKSUJKDBSA-N 2 0 356.467 0.481 20 0 FCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+]4C[C@@H](O)C[C@@H]4C3)cc21 ZINC001549941676 1268027824 /nfs/dbraw/zinc/02/78/24/1268027824.db2.gz XMKPNEONDPSTOM-CABCVRRESA-N 2 0 373.457 0.195 20 0 FCADRP CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1CCO ZINC001338682492 1268039738 /nfs/dbraw/zinc/03/97/38/1268039738.db2.gz JHNNBKNJSMUTCO-HNNXBMFYSA-N 2 0 354.495 0.243 20 0 FCADRP [NH3+]CC12CC(C(=O)N3CCC[C@H](c4cc(N5CC[NH2+]CC5)n[nH]4)C3)(C1)C2 ZINC001550069352 1268068897 /nfs/dbraw/zinc/06/88/97/1268068897.db2.gz SYDJGISWKLOMNV-YCMKEVRSSA-N 2 0 358.490 0.654 20 0 FCADRP Cn1cc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001550117315 1268077480 /nfs/dbraw/zinc/07/74/80/1268077480.db2.gz YFOJTCBUIMHJLE-JKSUJKDBSA-N 2 0 360.506 0.349 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001550117371 1268077733 /nfs/dbraw/zinc/07/77/33/1268077733.db2.gz ZCVHXLIIPCICRH-SJLPKXTDSA-N 2 0 355.486 0.886 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](C)[NH+]1CCO ZINC001550286099 1268104101 /nfs/dbraw/zinc/10/41/01/1268104101.db2.gz JWYHVJPVMFMNRY-OAGGEKHMSA-N 2 0 354.495 0.242 20 0 FCADRP Cn1nccc1[C@H]1[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)CCC[NH+]1C ZINC001550360534 1268105845 /nfs/dbraw/zinc/10/58/45/1268105845.db2.gz GGJJQFKNIRUMNV-CRAIPNDOSA-N 2 0 362.522 0.413 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001550387376 1268109315 /nfs/dbraw/zinc/10/93/15/1268109315.db2.gz DGFBKMOGWHNQFV-RCCFBDPRSA-N 2 0 352.523 0.506 20 0 FCADRP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC001550541034 1268130365 /nfs/dbraw/zinc/13/03/65/1268130365.db2.gz PKJIDULFMAPSTR-IRXDYDNUSA-N 2 0 358.490 0.399 20 0 FCADRP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC001550567951 1268134370 /nfs/dbraw/zinc/13/43/70/1268134370.db2.gz BTFAVEVAZMRZKN-KFIFHZAASA-N 2 0 374.529 0.443 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001339056680 1268159251 /nfs/dbraw/zinc/15/92/51/1268159251.db2.gz GNJUNSRYIVOJGL-UHFFFAOYSA-N 2 0 350.511 0.907 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001550748075 1268162143 /nfs/dbraw/zinc/16/21/43/1268162143.db2.gz QUNCIAOYMPLFKU-YQQAZPJKSA-N 2 0 365.522 0.711 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC001550911268 1268183146 /nfs/dbraw/zinc/18/31/46/1268183146.db2.gz AANDQWXCPJZENC-GUYCJALGSA-N 2 0 365.865 0.910 20 0 FCADRP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC001550914800 1268183881 /nfs/dbraw/zinc/18/38/81/1268183881.db2.gz ZQWHAALTBRSTIS-LPHOPBHVSA-N 2 0 362.449 0.678 20 0 FCADRP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913954 1268184041 /nfs/dbraw/zinc/18/40/41/1268184041.db2.gz RUZZFMQKNXRQGO-FXAWDEMLSA-N 2 0 358.486 0.881 20 0 FCADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275655 1268221413 /nfs/dbraw/zinc/22/14/13/1268221413.db2.gz WEFOULPGDYUCAR-BNQMIIOLSA-N 2 0 354.495 0.384 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001339396250 1268228621 /nfs/dbraw/zinc/22/86/21/1268228621.db2.gz QTCVBLDRMGUKAX-AWEZNQCLSA-N 2 0 362.478 0.498 20 0 FCADRP CNC(=O)[C@]12C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@H]1COCC2 ZINC001551427904 1268245396 /nfs/dbraw/zinc/24/53/96/1268245396.db2.gz VCTGNEQPTMXVGX-HNAYVOBHSA-N 2 0 366.506 0.060 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551496149 1268261805 /nfs/dbraw/zinc/26/18/05/1268261805.db2.gz RBLNJAOXMUEVEB-KSZLIROESA-N 2 0 371.485 0.559 20 0 FCADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)C1 ZINC001551543531 1268264298 /nfs/dbraw/zinc/26/42/98/1268264298.db2.gz UWPGPIWKIXABDH-NILFDRSVSA-N 2 0 364.412 0.673 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCCC12CC[NH2+]CC2 ZINC001551551757 1268265506 /nfs/dbraw/zinc/26/55/06/1268265506.db2.gz BPKZNDBINXSWRY-DOTOQJQBSA-N 2 0 363.506 0.561 20 0 FCADRP CC1(C)C[NH2+][C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551554500 1268266484 /nfs/dbraw/zinc/26/64/84/1268266484.db2.gz KDRMCBRDHZMPMK-DZKIICNBSA-N 2 0 351.495 0.321 20 0 FCADRP CN(C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C1(C[NH3+])CCCCC1 ZINC001551554184 1268266975 /nfs/dbraw/zinc/26/69/75/1268266975.db2.gz JHWXWZVUIJDRFM-DOTOQJQBSA-N 2 0 365.522 0.936 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556246 1268268479 /nfs/dbraw/zinc/26/84/79/1268268479.db2.gz SCENOBRYIDRUGF-GOEBONIOSA-N 2 0 351.495 0.369 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@@H](C)[NH+]1CCO ZINC001551557458 1268268720 /nfs/dbraw/zinc/26/87/20/1268268720.db2.gz JAAOOAGBGNPEET-UXOAXIEHSA-N 2 0 364.412 0.625 20 0 FCADRP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557274 1268269147 /nfs/dbraw/zinc/26/91/47/1268269147.db2.gz UUHMJVMAYNFRFP-WBVHZDCISA-N 2 0 365.522 0.759 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556706 1268269175 /nfs/dbraw/zinc/26/91/75/1268269175.db2.gz STKBQELHMZQHPZ-HLLBOEOZSA-N 2 0 351.495 0.417 20 0 FCADRP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001551562372 1268271816 /nfs/dbraw/zinc/27/18/16/1268271816.db2.gz SDRASHBDNNCZAU-SNPRPXQTSA-N 2 0 361.412 0.218 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC001551568364 1268273677 /nfs/dbraw/zinc/27/36/77/1268273677.db2.gz JDPQLRDGBYIZFI-UWWQBHOKSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551575167 1268274614 /nfs/dbraw/zinc/27/46/14/1268274614.db2.gz FLLMDZBHYIGZLJ-RDJZCZTQSA-N 2 0 365.522 0.807 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551573248 1268274875 /nfs/dbraw/zinc/27/48/75/1268274875.db2.gz WLRKOHFBYSRXLE-SJLPKXTDSA-N 2 0 365.522 0.616 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551578930 1268276412 /nfs/dbraw/zinc/27/64/12/1268276412.db2.gz NNSGRSRBZVPQOC-NVXWUHKLSA-N 2 0 351.495 0.322 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551578083 1268276941 /nfs/dbraw/zinc/27/69/41/1268276941.db2.gz LZOGMFJJQRULJH-HLLBOEOZSA-N 2 0 351.495 0.417 20 0 FCADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551582102 1268278549 /nfs/dbraw/zinc/27/85/49/1268278549.db2.gz TUGNHBAPTBKFQJ-LXZKKBNFSA-N 2 0 351.495 0.274 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001551583174 1268278713 /nfs/dbraw/zinc/27/87/13/1268278713.db2.gz VGMIFXYRENQYID-MMTVNHQJSA-N 2 0 351.495 0.260 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551583721 1268278929 /nfs/dbraw/zinc/27/89/29/1268278929.db2.gz WJWVBPGZGKCEQO-QEWYBTABSA-N 2 0 351.495 0.545 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC001551586058 1268279873 /nfs/dbraw/zinc/27/98/73/1268279873.db2.gz BLVAQCINONFBPG-YUFPNPJJSA-N 2 0 363.506 0.558 20 0 FCADRP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC001551593862 1268280352 /nfs/dbraw/zinc/28/03/52/1268280352.db2.gz OLWXDHZVFKGDNH-SJLPKXTDSA-N 2 0 363.506 0.513 20 0 FCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551592800 1268280580 /nfs/dbraw/zinc/28/05/80/1268280580.db2.gz NAVGZTLXIWXONO-YSVLISHTSA-N 2 0 351.495 0.226 20 0 FCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551593933 1268282453 /nfs/dbraw/zinc/28/24/53/1268282453.db2.gz OOONCVXGBWSOFJ-BFYDXBDKSA-N 2 0 351.495 0.369 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3c3cnn(C)c3C)C2)CC1 ZINC001552088556 1268367789 /nfs/dbraw/zinc/36/77/89/1268367789.db2.gz UXVVOVJMPBEZLR-BHIYHBOVSA-N 2 0 374.533 0.270 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@@H]2C[NH2+]C[C@@H]2OC)nn1 ZINC001552088638 1268368078 /nfs/dbraw/zinc/36/80/78/1268368078.db2.gz FJSWABXZUZOPJQ-AIANPOQGSA-N 2 0 362.478 0.065 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552153385 1268395174 /nfs/dbraw/zinc/39/51/74/1268395174.db2.gz DSQRCPCKXIGBCL-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552167885 1268399681 /nfs/dbraw/zinc/39/96/81/1268399681.db2.gz VJQOJJLXCCMWKQ-INIZCTEOSA-N 2 0 355.446 0.602 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552201491 1268408579 /nfs/dbraw/zinc/40/85/79/1268408579.db2.gz POKSWLXWKNBKMV-MJQMVNBJSA-N 2 0 350.507 0.239 20 0 FCADRP C[C@H]1Cn2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2CN1 ZINC001340181245 1268461729 /nfs/dbraw/zinc/46/17/29/1268461729.db2.gz HWXKLULQUFGYLB-HNNXBMFYSA-N 2 0 350.511 0.720 20 0 FCADRP C[C@H](CNC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001552601418 1268485120 /nfs/dbraw/zinc/48/51/20/1268485120.db2.gz CFXPOGOGRUJLLP-NCOADZHNSA-N 2 0 363.510 0.895 20 0 FCADRP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606745 1268488707 /nfs/dbraw/zinc/48/87/07/1268488707.db2.gz JNUBVLGMNLLEKA-BRWVUGGUSA-N 2 0 361.494 0.792 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001552611519 1268492101 /nfs/dbraw/zinc/49/21/01/1268492101.db2.gz HHCOUOSQSDDKID-BBWFWOEESA-N 2 0 363.510 0.895 20 0 FCADRP CO[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@@](C)(C[NH3+])C1 ZINC001552681211 1268520162 /nfs/dbraw/zinc/52/01/62/1268520162.db2.gz VMJJVJXMBFIAOH-MEDUHNTESA-N 2 0 372.420 0.719 20 0 FCADRP COC1CC[NH+](CCNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552696070 1268523512 /nfs/dbraw/zinc/52/35/12/1268523512.db2.gz SWNNOAIXGYWDND-ZBFHGGJFSA-N 2 0 350.467 0.561 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(CN3CC[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924527 1268565842 /nfs/dbraw/zinc/56/58/42/1268565842.db2.gz CBHHVNBVBJYRLP-RBUKOAKNSA-N 2 0 364.534 0.931 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC001552954956 1268569009 /nfs/dbraw/zinc/56/90/09/1268569009.db2.gz PHTHSZQPGMDJSC-HNNXBMFYSA-N 2 0 351.495 0.644 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552957512 1268569654 /nfs/dbraw/zinc/56/96/54/1268569654.db2.gz JVSKTQKDEPQMQG-GJZGRUSLSA-N 2 0 351.495 0.642 20 0 FCADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001553013474 1268578378 /nfs/dbraw/zinc/57/83/78/1268578378.db2.gz AZPQBWDHZVDUPM-VVLHAWIVSA-N 2 0 351.491 0.497 20 0 FCADRP CCNC(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)cc1 ZINC001553389377 1268641818 /nfs/dbraw/zinc/64/18/18/1268641818.db2.gz LEROQRBKOWQDSV-LIRRHRJNSA-N 2 0 360.458 0.681 20 0 FCADRP CN(C)C(=O)COc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)c1 ZINC001553389187 1268643268 /nfs/dbraw/zinc/64/32/68/1268643268.db2.gz KAUWLWXANCQDDE-IFXJQAMLSA-N 2 0 360.458 0.633 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cn2)CC1 ZINC001553414562 1268646617 /nfs/dbraw/zinc/64/66/17/1268646617.db2.gz XOTRMQFFDWSSFT-YESZJQIVSA-N 2 0 359.474 0.359 20 0 FCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]4CC[NH2+]C[C@H]4C3)ccn2)CC1 ZINC001553424597 1268648958 /nfs/dbraw/zinc/64/89/58/1268648958.db2.gz YHEGYMBFHAVYKI-MSOLQXFVSA-N 2 0 372.517 0.974 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c2ccccc2)CC1 ZINC001553454110 1268652819 /nfs/dbraw/zinc/65/28/19/1268652819.db2.gz ZDJWWDLIRRBNPX-OKYOBFRVSA-N 2 0 357.502 0.821 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c2ccccc2)CC1 ZINC001553453698 1268653045 /nfs/dbraw/zinc/65/30/45/1268653045.db2.gz ZDJWWDLIRRBNPX-AKHDSKFASA-N 2 0 357.502 0.821 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC12CCOCC2 ZINC001553463697 1268655826 /nfs/dbraw/zinc/65/58/26/1268655826.db2.gz MNTSDVCCNCDXKO-IXDOHACOSA-N 2 0 366.506 0.514 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CC1(C)C ZINC001553482679 1268658149 /nfs/dbraw/zinc/65/81/49/1268658149.db2.gz VKCBXNPCIBXWIX-OAHLLOKOSA-N 2 0 353.511 0.162 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001553523136 1268663107 /nfs/dbraw/zinc/66/31/07/1268663107.db2.gz ACGSBTIIHHVGHP-FMKPAKJESA-N 2 0 361.494 0.316 20 0 FCADRP C[C@H]1C[NH2+]C[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001553525242 1268663884 /nfs/dbraw/zinc/66/38/84/1268663884.db2.gz GXGHPHQTUMCWEW-LSDHHAIUSA-N 2 0 351.495 0.357 20 0 FCADRP [NH3+]CCCSCCC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001340865771 1268686475 /nfs/dbraw/zinc/68/64/75/1268686475.db2.gz BIGKORMMGUGLJB-INIZCTEOSA-N 2 0 358.552 0.371 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001340895939 1268698233 /nfs/dbraw/zinc/69/82/33/1268698233.db2.gz TXMDUTTVIFZMPW-GOSISDBHSA-N 2 0 361.490 0.867 20 0 FCADRP CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC001341293307 1268921875 /nfs/dbraw/zinc/92/18/75/1268921875.db2.gz FNCZLZBNMRTULG-RDJZCZTQSA-N 2 0 356.511 0.435 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001341389778 1268967987 /nfs/dbraw/zinc/96/79/87/1268967987.db2.gz XKVJHUBRJNHIBN-LMMKCTJWSA-N 2 0 355.523 0.501 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001341389777 1268968042 /nfs/dbraw/zinc/96/80/42/1268968042.db2.gz XKVJHUBRJNHIBN-AOIWGVFYSA-N 2 0 355.523 0.501 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C(=O)CNCC[NH3+] ZINC001341440861 1268998398 /nfs/dbraw/zinc/99/83/98/1268998398.db2.gz QSLADTNRIQDUOG-SJORKVTESA-N 2 0 362.474 0.105 20 0 FCADRP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001580533894 1278462151 /nfs/dbraw/zinc/46/21/51/1278462151.db2.gz MJYBIGAIJLJQMU-CVEARBPZSA-N 2 0 352.866 0.301 20 0 FCADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001341685908 1269151472 /nfs/dbraw/zinc/15/14/72/1269151472.db2.gz ZQQIJBJOQPLRFC-RDJZCZTQSA-N 2 0 359.474 0.226 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001342084301 1269338818 /nfs/dbraw/zinc/33/88/18/1269338818.db2.gz CNFJUGBRNPUDHT-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001566054183 1269588794 /nfs/dbraw/zinc/58/87/94/1269588794.db2.gz PVPRJSBDHWYUCI-BBWFWOEESA-N 2 0 350.507 0.907 20 0 FCADRP CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743964 1269747682 /nfs/dbraw/zinc/74/76/82/1269747682.db2.gz WBAIOPGIHHNXCD-UMVBOHGHSA-N 2 0 367.494 0.141 20 0 FCADRP CCC1([NH2+]C[C@@H](O)COC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001570255822 1269857120 /nfs/dbraw/zinc/85/71/20/1269857120.db2.gz AOAFVZAQUNWVJA-RBSFLKMASA-N 2 0 350.463 0.881 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001572838505 1270228125 /nfs/dbraw/zinc/22/81/25/1270228125.db2.gz XGDWGDXZCAXIPD-OWCLPIDISA-N 2 0 368.522 0.279 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C[C@H]1O ZINC001572854965 1270271767 /nfs/dbraw/zinc/27/17/67/1270271767.db2.gz LMNHYTBHCNIUGO-BRWVUGGUSA-N 2 0 368.522 0.137 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1)[NH+](C)C ZINC001573396797 1270772005 /nfs/dbraw/zinc/77/20/05/1270772005.db2.gz KZLIPEKNHJSGNK-IKGGRYGDSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573977959 1270972360 /nfs/dbraw/zinc/97/23/60/1270972360.db2.gz RXZKAVJRIAQRJI-HZPDHXFCSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574019805 1270999933 /nfs/dbraw/zinc/99/99/33/1270999933.db2.gz RDHFAOWHFOQCAQ-HOTGVXAUSA-N 2 0 374.493 0.823 20 0 FCADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033302 1271016540 /nfs/dbraw/zinc/01/65/40/1271016540.db2.gz OYOGYCCANAOLNP-HNNXBMFYSA-N 2 0 360.466 0.577 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209262 1271095796 /nfs/dbraw/zinc/09/57/96/1271095796.db2.gz DGAPWVXPOQEHOM-CZUORRHYSA-N 2 0 372.477 0.721 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574252471 1271122175 /nfs/dbraw/zinc/12/21/75/1271122175.db2.gz IEYNTSOFWBDZGM-CYBMUJFWSA-N 2 0 358.450 0.427 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001574256143 1271128326 /nfs/dbraw/zinc/12/83/26/1271128326.db2.gz YCIGCOAGORPSLQ-OAHLLOKOSA-N 2 0 374.493 0.967 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001574256140 1271128339 /nfs/dbraw/zinc/12/83/39/1271128339.db2.gz YCIGCOAGORPSLQ-HNNXBMFYSA-N 2 0 374.493 0.967 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574261253 1271134667 /nfs/dbraw/zinc/13/46/67/1271134667.db2.gz HEGTYVUWWGRASB-HNNXBMFYSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288017 1271162565 /nfs/dbraw/zinc/16/25/65/1271162565.db2.gz DDLAVEUZZXVULT-XEZPLFJOSA-N 2 0 370.461 0.616 20 0 FCADRP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574542980 1271325204 /nfs/dbraw/zinc/32/52/04/1271325204.db2.gz GVJKNKOFTLVSLC-CHWSQXEVSA-N 2 0 370.461 0.475 20 0 FCADRP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574578473 1271376451 /nfs/dbraw/zinc/37/64/51/1271376451.db2.gz CARBDJLGMGBDKA-CYBMUJFWSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597788 1271401096 /nfs/dbraw/zinc/40/10/96/1271401096.db2.gz QHVSTOPSVSAGNB-BBRMVZONSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597790 1271401163 /nfs/dbraw/zinc/40/11/63/1271401163.db2.gz QHVSTOPSVSAGNB-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599197 1271401814 /nfs/dbraw/zinc/40/18/14/1271401814.db2.gz ZTTVQITUMLLSOR-CJNGLKHVSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574671087 1271472936 /nfs/dbraw/zinc/47/29/36/1271472936.db2.gz JEFNYSQTWPEOLF-GFCCVEGCSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574777025 1271508800 /nfs/dbraw/zinc/50/88/00/1271508800.db2.gz VVBPSSRTXVORJI-LBPRGKRZSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC[NH+](C)C ZINC001574781073 1271513353 /nfs/dbraw/zinc/51/33/53/1271513353.db2.gz HAAAKDJXRHUHEX-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574785909 1271520419 /nfs/dbraw/zinc/52/04/19/1271520419.db2.gz PCYIMFHLBICIBF-CQSZACIVSA-N 2 0 357.462 0.899 20 0 FCADRP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574803220 1271540006 /nfs/dbraw/zinc/54/00/06/1271540006.db2.gz BLKWKHPGPJLYNJ-OLZOCXBDSA-N 2 0 358.450 0.544 20 0 FCADRP CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574804578 1271544978 /nfs/dbraw/zinc/54/49/78/1271544978.db2.gz MIBIXNCMMCIRII-WFASDCNBSA-N 2 0 360.466 0.789 20 0 FCADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574830513 1271577080 /nfs/dbraw/zinc/57/70/80/1271577080.db2.gz RCFLDLUIKJCBFI-ZDUSSCGKSA-N 2 0 372.477 0.722 20 0 FCADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574837628 1271581505 /nfs/dbraw/zinc/58/15/05/1271581505.db2.gz CBFUTOYIMVTVCJ-KGLIPLIRSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574854491 1271605513 /nfs/dbraw/zinc/60/55/13/1271605513.db2.gz NPLWKQAGOPZTMM-NSHDSACASA-N 2 0 361.475 0.618 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574854312 1271605754 /nfs/dbraw/zinc/60/57/54/1271605754.db2.gz KZTUXMVOPODFLM-GFCCVEGCSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574854137 1271605920 /nfs/dbraw/zinc/60/59/20/1271605920.db2.gz ISDPLDJSGNXLMZ-LBPRGKRZSA-N 2 0 373.436 0.696 20 0 FCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876235 1271634608 /nfs/dbraw/zinc/63/46/08/1271634608.db2.gz KXZPVXQRKARXAD-RISCZKNCSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877297 1271636834 /nfs/dbraw/zinc/63/68/34/1271636834.db2.gz QUKRLZYZGHUSRO-AAEUAGOBSA-N 2 0 361.425 0.552 20 0 FCADRP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575114891 1271726011 /nfs/dbraw/zinc/72/60/11/1271726011.db2.gz KZYUKBOEUHJBIM-AWEZNQCLSA-N 2 0 369.473 0.899 20 0 FCADRP CC(C)(C(=O)N1CCC[C@@](CO)([NH2+]CCc2cn[nH]n2)C1)[NH+]1CCCC1 ZINC001575237497 1271847293 /nfs/dbraw/zinc/84/72/93/1271847293.db2.gz NXFDJDPZNFIWQW-GOSISDBHSA-N 2 0 364.494 0.165 20 0 FCADRP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]21)[NH+]1CCCC1 ZINC001575327377 1271937103 /nfs/dbraw/zinc/93/71/03/1271937103.db2.gz FSXWKIZHQQWXCH-FJIDUMEYSA-N 2 0 360.506 0.762 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419480 1272074913 /nfs/dbraw/zinc/07/49/13/1272074913.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 0 364.494 0.163 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420460 1272079406 /nfs/dbraw/zinc/07/94/06/1272079406.db2.gz LBTJODRFFVRTQC-SJORKVTESA-N 2 0 364.494 0.427 20 0 FCADRP CC(C)[C@H](C(=O)NCCN1CCC([NH2+]Cc2cnn[nH]2)CC1)[NH+](C)C ZINC001575450798 1272120286 /nfs/dbraw/zinc/12/02/86/1272120286.db2.gz LLEPRHVFOOUPLY-MRXNPFEDSA-N 2 0 351.499 0.061 20 0 FCADRP CC(C)Cc1nnc(N2CCC(C[NH3+])CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001575665689 1272278331 /nfs/dbraw/zinc/27/83/31/1272278331.db2.gz WKWINLOAYCCVSK-SFHVURJKSA-N 2 0 350.511 0.718 20 0 FCADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)C[NH3+])CC1 ZINC001575698012 1272316773 /nfs/dbraw/zinc/31/67/73/1272316773.db2.gz KNVKQRKOSYMCMP-ZDUSSCGKSA-N 2 0 358.437 0.906 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CC[NH+]1CCCCCC1 ZINC001575715601 1272357023 /nfs/dbraw/zinc/35/70/23/1272357023.db2.gz JIJIIZMPGTZQGD-OAHLLOKOSA-N 2 0 363.510 0.830 20 0 FCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001580687471 1278715786 /nfs/dbraw/zinc/71/57/86/1278715786.db2.gz ONZANYDZGNFDNZ-BWTSREIZSA-N 2 0 357.502 0.569 20 0 FCADRP C[C@@H](C[NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001575995031 1272663973 /nfs/dbraw/zinc/66/39/73/1272663973.db2.gz CNYMCHYWAWNAQX-DZGCQCFKSA-N 2 0 361.494 0.356 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH3+])CC1 ZINC001575998934 1272677485 /nfs/dbraw/zinc/67/74/85/1272677485.db2.gz SGMOGAWYOREKBC-HUUCEWRRSA-N 2 0 363.510 0.745 20 0 FCADRP C[C@@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001576009334 1272702631 /nfs/dbraw/zinc/70/26/31/1272702631.db2.gz ZQGVUJKSNLCJIR-INMHGKMJSA-N 2 0 362.522 0.982 20 0 FCADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC[NH+](C)C ZINC001576018934 1272719823 /nfs/dbraw/zinc/71/98/23/1272719823.db2.gz KKPRANXILJRASU-VXGBXAGGSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCCC1 ZINC001576046960 1272772531 /nfs/dbraw/zinc/77/25/31/1272772531.db2.gz OYPPIVKEGASPSL-KBPBESRZSA-N 2 0 370.461 0.571 20 0 FCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001576052338 1272781307 /nfs/dbraw/zinc/78/13/07/1272781307.db2.gz KYNKOPAWPQQOJG-OLZOCXBDSA-N 2 0 368.445 0.181 20 0 FCADRP C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH2+]CC1)[NH+](C)C ZINC001576066193 1272817806 /nfs/dbraw/zinc/81/78/06/1272817806.db2.gz RYIGDKDGLISWID-ZDUSSCGKSA-N 2 0 358.450 0.285 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]Cc2cnn[nH]2)CCOCC1 ZINC001576070058 1272830166 /nfs/dbraw/zinc/83/01/66/1272830166.db2.gz BUWGXCDACCJDPJ-OKILXGFUSA-N 2 0 350.467 0.433 20 0 FCADRP CC[C@@H](C(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001576176522 1272976317 /nfs/dbraw/zinc/97/63/17/1272976317.db2.gz VZKIOXNHILNZPC-INIZCTEOSA-N 2 0 352.483 0.584 20 0 FCADRP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[N@H+](C)CCN1C ZINC001576207665 1272990502 /nfs/dbraw/zinc/99/05/02/1272990502.db2.gz QBVDLHLNULUBQQ-XHSDSOJGSA-N 2 0 353.511 0.079 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001576254786 1273037635 /nfs/dbraw/zinc/03/76/35/1273037635.db2.gz FTIOUOCLDWLPGF-UKRRQHHQSA-N 2 0 372.477 0.673 20 0 FCADRP CC[C@H](C(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576484911 1273328032 /nfs/dbraw/zinc/32/80/32/1273328032.db2.gz UUCGAZICVZMRQE-SEEARECTSA-N 2 0 372.477 0.734 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576489187 1273339352 /nfs/dbraw/zinc/33/93/52/1273339352.db2.gz FBZQWJFZLQIWQU-UKRRQHHQSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491387 1273347658 /nfs/dbraw/zinc/34/76/58/1273347658.db2.gz YAVWBUYLHGMHQD-WFASDCNBSA-N 2 0 358.450 0.345 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576498728 1273360365 /nfs/dbraw/zinc/36/03/65/1273360365.db2.gz MCUNQSCXFXSXRJ-NHYWBVRUSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@@H](C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498751 1273360773 /nfs/dbraw/zinc/36/07/73/1273360773.db2.gz MRPCXCPIADDTLE-HOTGVXAUSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@H](C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576499946 1273364475 /nfs/dbraw/zinc/36/44/75/1273364475.db2.gz VDPAXSPZWFDCHL-GXTWGEPZSA-N 2 0 358.450 0.605 20 0 FCADRP CC[C@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576500830 1273365636 /nfs/dbraw/zinc/36/56/36/1273365636.db2.gz ZQFNYQWYAWUSQE-HUUCEWRRSA-N 2 0 358.450 0.331 20 0 FCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001576508600 1273380022 /nfs/dbraw/zinc/38/00/22/1273380022.db2.gz KJEBXEGNSCJWSF-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576511931 1273387947 /nfs/dbraw/zinc/38/79/47/1273387947.db2.gz GMWNWJPUURGVPN-IJEWVQPXSA-N 2 0 357.462 0.944 20 0 FCADRP CN(CC(C)(C)C[NH2+]Cc1cnn[nH]1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001576749241 1273620083 /nfs/dbraw/zinc/62/00/83/1273620083.db2.gz BMNLTILJJQAVTL-UHFFFAOYSA-N 2 0 362.482 0.451 20 0 FCADRP C[C@@H]1CN(C(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC[N@@H+]1CC(C)(C)O ZINC001576760016 1273632429 /nfs/dbraw/zinc/63/24/29/1273632429.db2.gz IBXNVUGNWKOXRR-DNVCBOLYSA-N 2 0 353.507 0.575 20 0 FCADRP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806596 1273715922 /nfs/dbraw/zinc/71/59/22/1273715922.db2.gz NWSQQGSRNCQNQZ-UONOGXRCSA-N 2 0 372.477 0.865 20 0 FCADRP C[C@H]1CN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001576827944 1273753063 /nfs/dbraw/zinc/75/30/63/1273753063.db2.gz VGQLDVDYRYGQLC-HNNXBMFYSA-N 2 0 359.478 0.716 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001576828489 1273753119 /nfs/dbraw/zinc/75/31/19/1273753119.db2.gz HFMUBVMVRPYHOR-UXOAXIEHSA-N 2 0 361.494 0.495 20 0 FCADRP C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001576828486 1273753624 /nfs/dbraw/zinc/75/36/24/1273753624.db2.gz HFMUBVMVRPYHOR-DHMWGJHJSA-N 2 0 361.494 0.495 20 0 FCADRP C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC001576828487 1273753902 /nfs/dbraw/zinc/75/39/02/1273753902.db2.gz HFMUBVMVRPYHOR-GBOPCIDUSA-N 2 0 361.494 0.495 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC001576830284 1273754482 /nfs/dbraw/zinc/75/44/82/1273754482.db2.gz FOEVUGCTVPMMGU-LLDVTBCESA-N 2 0 364.494 0.370 20 0 FCADRP C[N@H+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCc1c[nH]nn1 ZINC001576833762 1273759696 /nfs/dbraw/zinc/75/96/96/1273759696.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 0 364.494 0.429 20 0 FCADRP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001576839705 1273776082 /nfs/dbraw/zinc/77/60/82/1273776082.db2.gz UBLILBYDOLZBKD-HZPDHXFCSA-N 2 0 350.467 0.386 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849505 1273799889 /nfs/dbraw/zinc/79/98/89/1273799889.db2.gz GJOUMQPMLHRKJB-LSDHHAIUSA-N 2 0 361.494 0.536 20 0 FCADRP C[NH+]1CCC(OCC(=O)NC2(C[NH2+]Cc3cnn[nH]3)CCCCC2)CC1 ZINC001576884116 1273867896 /nfs/dbraw/zinc/86/78/96/1273867896.db2.gz RCAOFOBOSCNLHB-UHFFFAOYSA-N 2 0 364.494 0.824 20 0 FCADRP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001577476661 1274433037 /nfs/dbraw/zinc/43/30/37/1274433037.db2.gz AKURROYGMXHVDZ-KGLIPLIRSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577550556 1274488766 /nfs/dbraw/zinc/48/87/66/1274488766.db2.gz KZJMBZOTDOJWFE-UHFFFAOYSA-N 2 0 374.493 0.922 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577554513 1274496917 /nfs/dbraw/zinc/49/69/17/1274496917.db2.gz SPYYVIAZAWDSMA-ZIAGYGMSSA-N 2 0 372.477 0.817 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558476 1274501844 /nfs/dbraw/zinc/50/18/44/1274501844.db2.gz JSUIIAXHOBAJCG-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560208 1274505587 /nfs/dbraw/zinc/50/55/87/1274505587.db2.gz BIIBTXWWQFAGPR-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560378 1274507929 /nfs/dbraw/zinc/50/79/29/1274507929.db2.gz CZQVOMFLPASVKA-ZDUSSCGKSA-N 2 0 360.466 0.853 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577564962 1274520129 /nfs/dbraw/zinc/52/01/29/1274520129.db2.gz FJFVRJCBYNKCBP-WKILWMFISA-N 2 0 357.462 0.945 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570648 1274531173 /nfs/dbraw/zinc/53/11/73/1274531173.db2.gz BXBALXKOMTZDJD-QWHCGFSZSA-N 2 0 360.466 0.721 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664835 1274679803 /nfs/dbraw/zinc/67/98/03/1274679803.db2.gz JTLHZJWTMZSEQT-CYBMUJFWSA-N 2 0 358.450 0.334 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667434 1274687439 /nfs/dbraw/zinc/68/74/39/1274687439.db2.gz CZHJADFJUPKPJN-OAHLLOKOSA-N 2 0 358.450 0.428 20 0 FCADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755606 1274835990 /nfs/dbraw/zinc/83/59/90/1274835990.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 0 358.490 0.898 20 0 FCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC2(C[NH+](CCc3c[nH]nn3)C2)CC1 ZINC001577758387 1274840264 /nfs/dbraw/zinc/84/02/64/1274840264.db2.gz LSVZNGOZIMXKMV-KRWDZBQOSA-N 2 0 358.490 0.613 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001577767204 1274850305 /nfs/dbraw/zinc/85/03/05/1274850305.db2.gz HTHIPJUNHRTHSS-VQIMIIECSA-N 2 0 352.523 0.901 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577770668 1274856036 /nfs/dbraw/zinc/85/60/36/1274856036.db2.gz MYAFKHOOOKOVGT-IYOUNJFTSA-N 2 0 361.494 0.438 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001577778232 1274872290 /nfs/dbraw/zinc/87/22/90/1274872290.db2.gz NNTINYUTAATRNH-HOTGVXAUSA-N 2 0 355.527 0.816 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@H]1C ZINC001577782025 1274875818 /nfs/dbraw/zinc/87/58/18/1274875818.db2.gz SXZLDUCYVKKOKY-CRAIPNDOSA-N 2 0 366.510 0.808 20 0 FCADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]([NH3+])C(C)C)C[C@H]1C ZINC001577780893 1274877121 /nfs/dbraw/zinc/87/71/21/1274877121.db2.gz FYNMMCSVFAQSRF-ILXRZTDVSA-N 2 0 363.510 0.743 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001577833961 1274947834 /nfs/dbraw/zinc/94/78/34/1274947834.db2.gz AQHJTCLVSRZLEZ-MRXNPFEDSA-N 2 0 353.511 0.605 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852152 1274994309 /nfs/dbraw/zinc/99/43/09/1274994309.db2.gz KVQOSCCOBOERRU-CQSZACIVSA-N 2 0 372.477 0.594 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577852097 1274994615 /nfs/dbraw/zinc/99/46/15/1274994615.db2.gz JSRIZGHUCWXKHS-UHFFFAOYSA-N 2 0 372.477 0.676 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852564 1274996650 /nfs/dbraw/zinc/99/66/50/1274996650.db2.gz USERMDIVQCNWLD-BLLLJJGKSA-N 2 0 372.477 0.593 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577855772 1275007461 /nfs/dbraw/zinc/00/74/61/1275007461.db2.gz PMTMJLJPNYGFOW-OCCSQVGLSA-N 2 0 358.450 0.427 20 0 FCADRP CC[N@H+](C)CCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577859746 1275020164 /nfs/dbraw/zinc/02/01/64/1275020164.db2.gz NUDFCJFGOBVBMW-UHFFFAOYSA-N 2 0 372.477 0.866 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860702 1275025940 /nfs/dbraw/zinc/02/59/40/1275025940.db2.gz ZLPFEMFHYYXSOR-INIZCTEOSA-N 2 0 372.477 0.641 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577871404 1275060256 /nfs/dbraw/zinc/06/02/56/1275060256.db2.gz GGHYMSXNURDVGC-HDJSIYSDSA-N 2 0 372.477 0.641 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577882943 1275083753 /nfs/dbraw/zinc/08/37/53/1275083753.db2.gz PQPOVNNLELJAEP-QWHCGFSZSA-N 2 0 358.450 0.427 20 0 FCADRP CC[NH+](CC)CC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577883087 1275086510 /nfs/dbraw/zinc/08/65/10/1275086510.db2.gz ULDVGXUTICNBBF-UHFFFAOYSA-N 2 0 360.466 0.807 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577885619 1275089316 /nfs/dbraw/zinc/08/93/16/1275089316.db2.gz IHSMMUJXSUYYIN-ZFWWWQNUSA-N 2 0 372.477 0.735 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577888020 1275094399 /nfs/dbraw/zinc/09/43/99/1275094399.db2.gz ABMKLQPDHHOMKQ-QWHCGFSZSA-N 2 0 360.466 0.639 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577888626 1275095417 /nfs/dbraw/zinc/09/54/17/1275095417.db2.gz RLRNNLBJGHHJFX-HNNXBMFYSA-N 2 0 358.450 0.332 20 0 FCADRP O=C(N[C@@H](C[NH2+]CCc1cn[nH]n1)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001577974527 1275199251 /nfs/dbraw/zinc/19/92/51/1275199251.db2.gz IJFGXZAEAICAHN-MSOLQXFVSA-N 2 0 360.506 0.954 20 0 FCADRP O=C(NC[C@H]1C[N@H+](CCc2c[nH]nn2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002399 1275259295 /nfs/dbraw/zinc/25/92/95/1275259295.db2.gz WOADLVHQWWAIDA-INIZCTEOSA-N 2 0 362.478 0.183 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578046010 1275333138 /nfs/dbraw/zinc/33/31/38/1275333138.db2.gz VHZPNSMEIRFHNM-ZIAGYGMSSA-N 2 0 372.477 0.853 20 0 FCADRP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001578136179 1275435178 /nfs/dbraw/zinc/43/51/78/1275435178.db2.gz NQTBBWUDAJLAKO-CHWSQXEVSA-N 2 0 358.450 0.284 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001578144730 1275444379 /nfs/dbraw/zinc/44/43/79/1275444379.db2.gz NZGLRCHEYSWWBH-JKSUJKDBSA-N 2 0 366.510 0.709 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220014 1275515606 /nfs/dbraw/zinc/51/56/06/1275515606.db2.gz VANULQQQXPNNRB-BBRMVZONSA-N 2 0 370.461 0.571 20 0 FCADRP CCc1nnc(N2CC[C@H](C[NH2+]C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001578311593 1275652044 /nfs/dbraw/zinc/65/20/44/1275652044.db2.gz IONDLNDWDBHNMH-JKSUJKDBSA-N 2 0 350.511 0.855 20 0 FCADRP C[NH+](C)C1(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C[NH3+])C2)CCC1 ZINC001578409599 1275782467 /nfs/dbraw/zinc/78/24/67/1275782467.db2.gz ZLZSQRSTIZGOHU-CQSZACIVSA-N 2 0 359.478 0.921 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001578420018 1275788961 /nfs/dbraw/zinc/78/89/61/1275788961.db2.gz QQZGJLOSUQPHOE-ABAIWWIYSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001578421871 1275790203 /nfs/dbraw/zinc/79/02/03/1275790203.db2.gz FWRKHXQKFZPFEL-JYJNAYRXSA-N 2 0 357.462 0.944 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001578444512 1275834262 /nfs/dbraw/zinc/83/42/62/1275834262.db2.gz SYONWEKKFYIRBW-XJKSGUPXSA-N 2 0 372.477 0.593 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525900 1275957323 /nfs/dbraw/zinc/95/73/23/1275957323.db2.gz TWPKSAUGXIUNDW-CRAIPNDOSA-N 2 0 364.494 0.038 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001578525774 1275957624 /nfs/dbraw/zinc/95/76/24/1275957624.db2.gz PRSDGSGMCDIBJC-KHYOSLBOSA-N 2 0 362.522 0.589 20 0 FCADRP C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001578525563 1275957641 /nfs/dbraw/zinc/95/76/41/1275957641.db2.gz HTJIUFNJUNNUEY-APWZRJJASA-N 2 0 372.473 0.176 20 0 FCADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578524250 1275958016 /nfs/dbraw/zinc/95/80/16/1275958016.db2.gz CANAKPXTURPFKE-KZNAEPCWSA-N 2 0 352.523 0.770 20 0 FCADRP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001578576011 1276008281 /nfs/dbraw/zinc/00/82/81/1276008281.db2.gz MTUJHUCTWOTAMQ-IJEWVQPXSA-N 2 0 358.494 0.959 20 0 FCADRP C[NH2+]CC1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001578662956 1276113687 /nfs/dbraw/zinc/11/36/87/1276113687.db2.gz YOGZYJMXHADDFU-UHFFFAOYSA-N 2 0 353.511 0.570 20 0 FCADRP COC(=O)[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC12C[NH2+]C2 ZINC001578797945 1276287135 /nfs/dbraw/zinc/28/71/35/1276287135.db2.gz VJRAGCXAWPKWJA-OAHLLOKOSA-N 2 0 351.491 0.966 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001578841182 1276359981 /nfs/dbraw/zinc/35/99/81/1276359981.db2.gz XRQDPXNALMWXEC-OBQMCUGOSA-N 2 0 355.454 0.938 20 0 FCADRP COC(=O)c1csc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578884932 1276415717 /nfs/dbraw/zinc/41/57/17/1276415717.db2.gz GONVXYMOXVUXGE-BNOWGMLFSA-N 2 0 351.428 0.902 20 0 FCADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578971283 1276516552 /nfs/dbraw/zinc/51/65/52/1276516552.db2.gz AVFPMOQSRIFGTQ-UHFFFAOYSA-N 2 0 369.473 0.757 20 0 FCADRP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)CC[NH+](C)C ZINC001578973569 1276520835 /nfs/dbraw/zinc/52/08/35/1276520835.db2.gz TUNQVRRDXYQEHH-UHFFFAOYSA-N 2 0 363.441 0.896 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001578976154 1276526217 /nfs/dbraw/zinc/52/62/17/1276526217.db2.gz PHJYBNITDHGKJT-INIZCTEOSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001578976218 1276528631 /nfs/dbraw/zinc/52/86/31/1276528631.db2.gz ROIHKDGFMWOETR-MRXNPFEDSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578979277 1276539148 /nfs/dbraw/zinc/53/91/48/1276539148.db2.gz YPUPKVOYWDZPEP-TZMCWYRMSA-N 2 0 358.450 0.332 20 0 FCADRP COCC1(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[NH2+]CC1 ZINC001578982042 1276543686 /nfs/dbraw/zinc/54/36/86/1276543686.db2.gz XUVWWTHREDIHPO-UHFFFAOYSA-N 2 0 356.511 0.755 20 0 FCADRP C[NH+](C)CCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001578987627 1276556637 /nfs/dbraw/zinc/55/66/37/1276556637.db2.gz LTMTTXBOZVVAQF-UHFFFAOYSA-N 2 0 358.450 0.476 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987660 1276558004 /nfs/dbraw/zinc/55/80/04/1276558004.db2.gz NASXFJFKBQILRQ-CYBMUJFWSA-N 2 0 358.450 0.546 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578990500 1276563473 /nfs/dbraw/zinc/56/34/73/1276563473.db2.gz DBQYGPVRNRBNMZ-VQFNDLOPSA-N 2 0 369.473 0.755 20 0 FCADRP COC[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001578990556 1276564074 /nfs/dbraw/zinc/56/40/74/1276564074.db2.gz ZHSSMVKBLKIPOW-XHSDSOJGSA-N 2 0 366.510 0.547 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578991244 1276566004 /nfs/dbraw/zinc/56/60/04/1276566004.db2.gz RQEINBSRSRGAIS-IYBDPMFKSA-N 2 0 357.462 0.945 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)s2)C[C@H]1C[NH+](C)C ZINC001578992288 1276567923 /nfs/dbraw/zinc/56/79/23/1276567923.db2.gz PXOGLNMAGNBZMS-VXGBXAGGSA-N 2 0 363.491 0.740 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001579014920 1276590120 /nfs/dbraw/zinc/59/01/20/1276590120.db2.gz ULBIZNRIUYOKDQ-BZUAXINKSA-N 2 0 366.510 0.534 20 0 FCADRP COCC[N@H+](C)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOC[C@H]1C ZINC001579020443 1276598925 /nfs/dbraw/zinc/59/89/25/1276598925.db2.gz CFHMHGMCFBZJFP-CVEARBPZSA-N 2 0 366.510 0.548 20 0 FCADRP COCCO[C@H](C)c1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001579053475 1276654652 /nfs/dbraw/zinc/65/46/52/1276654652.db2.gz QEHDTGRMMULRFX-RBSFLKMASA-N 2 0 354.499 0.750 20 0 FCADRP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001579214838 1277009152 /nfs/dbraw/zinc/00/91/52/1277009152.db2.gz RBUWOCJDIAFOAJ-UHFFFAOYSA-N 2 0 370.461 0.430 20 0 FCADRP COc1cccc([C@@H](CNC(=O)[C@@]2(F)C[NH2+]CC23COC3)[NH+](C)C)c1 ZINC001579258841 1277054986 /nfs/dbraw/zinc/05/49/86/1277054986.db2.gz CJLCYUMUZSQKJF-QAPCUYQASA-N 2 0 351.422 0.742 20 0 FCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)c2cn(C3C[NH2+]C3)nn2)c1 ZINC001579278040 1277092182 /nfs/dbraw/zinc/09/21/82/1277092182.db2.gz TZUMPCZXXAHMNY-UHFFFAOYSA-N 2 0 358.446 0.635 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326154 1277149923 /nfs/dbraw/zinc/14/99/23/1277149923.db2.gz MKOZKXGZXDJCQD-ACJLOTCBSA-N 2 0 370.461 0.286 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326822 1277153008 /nfs/dbraw/zinc/15/30/08/1277153008.db2.gz MUYAKKOZHLDLQR-NVXWUHKLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327744 1277154100 /nfs/dbraw/zinc/15/41/00/1277154100.db2.gz XAZKLGMPKVEPRA-OLZOCXBDSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCC2)C1 ZINC001579331874 1277162533 /nfs/dbraw/zinc/16/25/33/1277162533.db2.gz IDUZAIKLJYQZOM-MRXNPFEDSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332888 1277165678 /nfs/dbraw/zinc/16/56/78/1277165678.db2.gz MHUWIEOKDYMLJH-VQIMIIECSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333364 1277167687 /nfs/dbraw/zinc/16/76/87/1277167687.db2.gz QEHDLNDTLBMGSE-WBVHZDCISA-N 2 0 369.473 0.803 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335056 1277173849 /nfs/dbraw/zinc/17/38/49/1277173849.db2.gz MTURHJRGKHSZGR-GJZGRUSLSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335802 1277178058 /nfs/dbraw/zinc/17/80/58/1277178058.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335975 1277179531 /nfs/dbraw/zinc/17/95/31/1277179531.db2.gz XNPKCXWZGBNFTM-CVEARBPZSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579336186 1277179625 /nfs/dbraw/zinc/17/96/25/1277179625.db2.gz ZTUYEPJTUUGPDN-ZDUSSCGKSA-N 2 0 370.461 0.334 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338381 1277180823 /nfs/dbraw/zinc/18/08/23/1277180823.db2.gz LXCCPSQBBWIVRQ-HOTGVXAUSA-N 2 0 355.446 0.509 20 0 FCADRP CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001579343820 1277193217 /nfs/dbraw/zinc/19/32/17/1277193217.db2.gz KYKKWSOEHBKJLD-KCQAQPDRSA-N 2 0 356.496 0.010 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579347294 1277201392 /nfs/dbraw/zinc/20/13/92/1277201392.db2.gz AHODPUPLNZKFFU-FVQBIDKESA-N 2 0 369.473 0.945 20 0 FCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353365 1277211151 /nfs/dbraw/zinc/21/11/51/1277211151.db2.gz JYUSAIXKSPTXBK-IRXDYDNUSA-N 2 0 369.473 0.994 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353921 1277217211 /nfs/dbraw/zinc/21/72/11/1277217211.db2.gz WPVSXBBRQPVEDZ-HNNXBMFYSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358881 1277229448 /nfs/dbraw/zinc/22/94/48/1277229448.db2.gz LCMSOJYWQIQGFM-SJORKVTESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359141 1277232057 /nfs/dbraw/zinc/23/20/57/1277232057.db2.gz OWOZQQBMZFBPIL-RXYHWBRQSA-N 2 0 373.436 0.862 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359584 1277233503 /nfs/dbraw/zinc/23/35/03/1277233503.db2.gz XXRDTLXPRRGNJT-PREGVCBESA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359787 1277233735 /nfs/dbraw/zinc/23/37/35/1277233735.db2.gz DFRMBKQVQFJKEL-OWCLPIDISA-N 2 0 355.446 0.698 20 0 FCADRP CS[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H]1[NH+]1CCCC1 ZINC001579370485 1277253046 /nfs/dbraw/zinc/25/30/46/1277253046.db2.gz QXLPOTBQFIZYJN-GJZGRUSLSA-N 2 0 352.508 0.669 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579370114 1277253051 /nfs/dbraw/zinc/25/30/51/1277253051.db2.gz TUSGPEHPTLGVQX-IUODEOHRSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380895 1277257959 /nfs/dbraw/zinc/25/79/59/1277257959.db2.gz BAAVPNCKILEYOC-MBNYWOFBSA-N 2 0 373.486 0.917 20 0 FCADRP Cc1nc(CN2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cs1 ZINC001579858126 1277938889 /nfs/dbraw/zinc/93/88/89/1277938889.db2.gz SPQGHMKRHUWUMM-HNNXBMFYSA-N 2 0 351.520 0.766 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC001580258853 1278058150 /nfs/dbraw/zinc/05/81/50/1278058150.db2.gz ZWYUGYYIFJOFMK-CABCVRRESA-N 2 0 351.495 0.629 20 0 FCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580271037 1278064126 /nfs/dbraw/zinc/06/41/26/1278064126.db2.gz ZRAKYOIHFBWNEM-NHYWBVRUSA-N 2 0 361.425 0.694 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580279462 1278076861 /nfs/dbraw/zinc/07/68/61/1278076861.db2.gz UDMSMQJPBZECLE-ZDUSSCGKSA-N 2 0 357.462 0.803 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001580280219 1278078939 /nfs/dbraw/zinc/07/89/39/1278078939.db2.gz AKLPXEXSCNVXHZ-OAGGEKHMSA-N 2 0 351.495 0.642 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001580280220 1278080890 /nfs/dbraw/zinc/08/08/90/1278080890.db2.gz AKLPXEXSCNVXHZ-PMPSAXMXSA-N 2 0 351.495 0.642 20 0 FCADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001580863974 1279062011 /nfs/dbraw/zinc/06/20/11/1279062011.db2.gz XNOZSDYEYLXFJK-KURKYZTESA-N 2 0 365.499 0.511 20 0 FCADRP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940494 1279148042 /nfs/dbraw/zinc/14/80/42/1279148042.db2.gz AGTDFNQNGCTQJL-ZDUSSCGKSA-N 2 0 360.466 0.851 20 0 FCADRP Cc1cc(N(C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943461 1279151236 /nfs/dbraw/zinc/15/12/36/1279151236.db2.gz IAXODCPNKFXDLL-CYBMUJFWSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949367 1279155090 /nfs/dbraw/zinc/15/50/90/1279155090.db2.gz WOTXCKHMWDJYID-UHFFFAOYSA-N 2 0 358.450 0.607 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960382 1279163413 /nfs/dbraw/zinc/16/34/13/1279163413.db2.gz DDDPCMAUOVPBSJ-KBPBESRZSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961807 1279164821 /nfs/dbraw/zinc/16/48/21/1279164821.db2.gz LGRSJRYKONHJFW-ZDUSSCGKSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967789 1279168200 /nfs/dbraw/zinc/16/82/00/1279168200.db2.gz YEYBNOYTDNVOQZ-CQSZACIVSA-N 2 0 372.477 0.997 20 0 FCADRP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975867 1279175937 /nfs/dbraw/zinc/17/59/37/1279175937.db2.gz NLILCISQWHZKJW-UXIGCNINSA-N 2 0 370.461 0.463 20 0 FCADRP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988316 1279188660 /nfs/dbraw/zinc/18/86/60/1279188660.db2.gz IQPZOFYKGSKOTQ-CHWSQXEVSA-N 2 0 360.466 0.637 20 0 FCADRP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989484 1279190671 /nfs/dbraw/zinc/19/06/71/1279190671.db2.gz NPKQCMZBKWQTMW-STQMWFEESA-N 2 0 372.477 0.781 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991131 1279193476 /nfs/dbraw/zinc/19/34/76/1279193476.db2.gz LDAYBARKXMOBOX-XJKSGUPXSA-N 2 0 374.493 0.837 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003675 1279220110 /nfs/dbraw/zinc/22/01/10/1279220110.db2.gz FGXSODPKLSIYJQ-XJKSGUPXSA-N 2 0 372.477 0.591 20 0 FCADRP Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003525 1279220774 /nfs/dbraw/zinc/22/07/74/1279220774.db2.gz DLNZTXOUOSOXJW-CJNGLKHVSA-N 2 0 370.461 0.489 20 0 FCADRP Cc1cc(N[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006308 1279225110 /nfs/dbraw/zinc/22/51/10/1279225110.db2.gz OPVWKVNKIMJKGN-UKRRQHHQSA-N 2 0 372.477 0.734 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005800 1279225239 /nfs/dbraw/zinc/22/52/39/1279225239.db2.gz DJOLBMQCZOAYRJ-AWEZNQCLSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581020751 1279251292 /nfs/dbraw/zinc/25/12/92/1279251292.db2.gz KIRIURLUYBTWAM-HIFRSBDPSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024949 1279256444 /nfs/dbraw/zinc/25/64/44/1279256444.db2.gz LOWSZDMPNHIBHP-FYCOFBDGSA-N 2 0 372.477 0.663 20 0 FCADRP Cc1cc(NCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025164 1279258246 /nfs/dbraw/zinc/25/82/46/1279258246.db2.gz QASRCQNHMBZDQE-XHDPSFHLSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(NCCN(C)C(=O)CC2CC[NH+](C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026325 1279259191 /nfs/dbraw/zinc/25/91/91/1279259191.db2.gz CYGGHKIZFQOZJJ-UHFFFAOYSA-N 2 0 372.477 0.594 20 0 FCADRP Cc1cc(NCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027719 1279260980 /nfs/dbraw/zinc/26/09/80/1279260980.db2.gz VWZZQHCZNSFQMX-GXTWGEPZSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030289 1279266768 /nfs/dbraw/zinc/26/67/68/1279266768.db2.gz SGBJJOQBWGTQLT-OLZOCXBDSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030944 1279270003 /nfs/dbraw/zinc/27/00/03/1279270003.db2.gz VHWFRBLZGHUFEM-RDBSUJKOSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(NC[C@H](C)NC(=O)CCC[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031739 1279270112 /nfs/dbraw/zinc/27/01/12/1279270112.db2.gz DKBVYAFUWCWMBU-AWEZNQCLSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038548 1279274603 /nfs/dbraw/zinc/27/46/03/1279274603.db2.gz QTOLJRZQNCOERO-HDJSIYSDSA-N 2 0 370.461 0.395 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038955 1279276021 /nfs/dbraw/zinc/27/60/21/1279276021.db2.gz GVOYCUJSURLFAU-JOCQHMNTSA-N 2 0 358.450 0.391 20 0 FCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001603483746 1287388101 /nfs/dbraw/zinc/38/81/01/1287388101.db2.gz YGXNLKDCBPYIIT-ZDUSSCGKSA-N 2 0 370.465 0.025 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@@H+]1C ZINC001581478688 1280015248 /nfs/dbraw/zinc/01/52/48/1280015248.db2.gz XRRZTUZSIZNPDJ-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530597 1287409589 /nfs/dbraw/zinc/40/95/89/1287409589.db2.gz MXFBPIGIXQYFKE-ZDUSSCGKSA-N 2 0 372.477 0.580 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001581813765 1280558999 /nfs/dbraw/zinc/55/89/99/1280558999.db2.gz RWALGZWIEHWVAN-IXDOHACOSA-N 2 0 364.534 0.975 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581950317 1280781880 /nfs/dbraw/zinc/78/18/80/1280781880.db2.gz ZAQBGGFUQFSCBA-DZGCQCFKSA-N 2 0 368.445 0.038 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582097831 1281052817 /nfs/dbraw/zinc/05/28/17/1281052817.db2.gz PKBZHWMFKXJDHI-HNNXBMFYSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582099055 1281055117 /nfs/dbraw/zinc/05/51/17/1281055117.db2.gz HVLZTMASYJVNMI-INIZCTEOSA-N 2 0 355.446 0.653 20 0 FCADRP O=C(NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582471869 1281595888 /nfs/dbraw/zinc/59/58/88/1281595888.db2.gz DXNJKHSUWYJPHY-HNNXBMFYSA-N 2 0 367.457 0.653 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001604270340 1287596472 /nfs/dbraw/zinc/59/64/72/1287596472.db2.gz BQVHDZHBFKAELN-UONOGXRCSA-N 2 0 372.477 0.735 20 0 FCADRP CC(C)C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)n1)C(=O)NCC[NH+](C)C ZINC001589660479 1282932343 /nfs/dbraw/zinc/93/23/43/1282932343.db2.gz URKZEBUNFQVZAW-HNNXBMFYSA-N 2 0 360.466 0.444 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590226679 1283356621 /nfs/dbraw/zinc/35/66/21/1283356621.db2.gz FGQJDLGBFLYDJJ-CHWSQXEVSA-N 2 0 358.450 0.475 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270620 1283394984 /nfs/dbraw/zinc/39/49/84/1283394984.db2.gz CWEZVKSLVAGPPD-XQJDBVBESA-N 2 0 356.434 0.110 20 0 FCADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)[NH+](C)C ZINC001590370313 1283504816 /nfs/dbraw/zinc/50/48/16/1283504816.db2.gz DYOIYJOBIRGFEK-AWEZNQCLSA-N 2 0 361.450 0.421 20 0 FCADRP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590457439 1283549214 /nfs/dbraw/zinc/54/92/14/1283549214.db2.gz YXMWNHWRFINJKL-OAHLLOKOSA-N 2 0 360.466 0.677 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001590634007 1283673029 /nfs/dbraw/zinc/67/30/29/1283673029.db2.gz YXOGDMMBIPCYMM-AWEZNQCLSA-N 2 0 372.477 0.642 20 0 FCADRP C[C@H](Cn1ccnc1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001682613316 1283718578 /nfs/dbraw/zinc/71/85/78/1283718578.db2.gz YGUYHZRVBPZJSU-MRXNPFEDSA-N 2 0 364.494 0.367 20 0 FCADRP CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590696356 1283737235 /nfs/dbraw/zinc/73/72/35/1283737235.db2.gz LJCHCZJEEBDBFD-OAHLLOKOSA-N 2 0 372.477 0.997 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001591020004 1284075263 /nfs/dbraw/zinc/07/52/63/1284075263.db2.gz IEAMGAIKLSIAEF-UHFFFAOYSA-N 2 0 369.473 0.853 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)ccn2)C[C@H]1C[NH+](C)C ZINC001591021404 1284078211 /nfs/dbraw/zinc/07/82/11/1284078211.db2.gz NMPZCACVWIBOQT-ZIAGYGMSSA-N 2 0 358.450 0.073 20 0 FCADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071138 1284132028 /nfs/dbraw/zinc/13/20/28/1284132028.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 2 0 357.462 0.757 20 0 FCADRP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001591083808 1284152474 /nfs/dbraw/zinc/15/24/74/1284152474.db2.gz FNBQHOROMMFHDY-UHFFFAOYSA-N 2 0 369.473 0.901 20 0 FCADRP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001591102199 1284171779 /nfs/dbraw/zinc/17/17/79/1284171779.db2.gz XSMWZAWYGIEHGW-OAHLLOKOSA-N 2 0 361.425 0.648 20 0 FCADRP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591175763 1284267758 /nfs/dbraw/zinc/26/77/58/1284267758.db2.gz UVLAYKKNFJZHSY-NSCUHMNNSA-N 2 0 369.473 0.971 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591176643 1284271695 /nfs/dbraw/zinc/27/16/95/1284271695.db2.gz SCPYMBXNVQHZCQ-HNNXBMFYSA-N 2 0 357.462 0.804 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187316 1284297721 /nfs/dbraw/zinc/29/77/21/1284297721.db2.gz NCQSRDGGNGRSGY-RXYHWBRQSA-N 2 0 355.446 0.723 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001591186613 1284298851 /nfs/dbraw/zinc/29/88/51/1284298851.db2.gz VPFRXFMDBUYEGL-ZENOOKHLSA-N 2 0 373.436 0.837 20 0 FCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591189205 1284304757 /nfs/dbraw/zinc/30/47/57/1284304757.db2.gz KGJLPRPUTYAXBW-HNNXBMFYSA-N 2 0 361.425 0.696 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001604688130 1287732963 /nfs/dbraw/zinc/73/29/63/1287732963.db2.gz PAFBNQHWKHKKNC-UHFFFAOYSA-N 2 0 366.429 0.587 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001591561564 1284735767 /nfs/dbraw/zinc/73/57/67/1284735767.db2.gz JGPGOUSKDAQPGT-CYBMUJFWSA-N 2 0 373.461 0.423 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001591757563 1284885840 /nfs/dbraw/zinc/88/58/40/1284885840.db2.gz SMZVRDLXJMQBMF-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP Cc1cc(NC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046698 1285088785 /nfs/dbraw/zinc/08/87/85/1285088785.db2.gz MQAIHNBFRFCELI-NQHOJNORSA-N 2 0 370.461 0.418 20 0 FCADRP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592052063 1285096726 /nfs/dbraw/zinc/09/67/26/1285096726.db2.gz AEKOOCFJPVHSAY-UHFFFAOYSA-N 2 0 365.445 0.751 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C12CCC[NH+]1CCC2 ZINC001604753910 1287764167 /nfs/dbraw/zinc/76/41/67/1287764167.db2.gz CTLNFBZLXMFOAP-UHFFFAOYSA-N 2 0 370.461 0.572 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001719127746 1287790487 /nfs/dbraw/zinc/79/04/87/1287790487.db2.gz IZMRNFDRDREJQH-IAGOWNOFSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001702392433 1285626525 /nfs/dbraw/zinc/62/65/25/1285626525.db2.gz VNJWLGUXPRVLPU-ZACQAIPSSA-N 2 0 368.522 0.279 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001592865190 1285772615 /nfs/dbraw/zinc/77/26/15/1285772615.db2.gz MYZFGWVVZXQVSJ-HAQNSBGRSA-N 2 0 361.475 0.761 20 0 FCADRP O=C(NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C12CC[NH+](CC1)C2 ZINC001593055040 1285948812 /nfs/dbraw/zinc/94/88/12/1285948812.db2.gz WIEMAWRKOFNXKK-OWOJBTEDSA-N 2 0 367.457 0.725 20 0 FCADRP O=C(NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C12CC[NH+](CC1)C2 ZINC001593073323 1285968515 /nfs/dbraw/zinc/96/85/15/1285968515.db2.gz NECYYDRLWYWJEG-UHFFFAOYSA-N 2 0 355.446 0.558 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001593413111 1286135817 /nfs/dbraw/zinc/13/58/17/1286135817.db2.gz JHFHXCLYEGMPCK-QLFBSQMISA-N 2 0 355.402 0.234 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001593511058 1286188022 /nfs/dbraw/zinc/18/80/22/1286188022.db2.gz FGMXKXQOJAIVLL-IJEWVQPXSA-N 2 0 358.446 0.680 20 0 FCADRP CC[N@@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001710275885 1287169905 /nfs/dbraw/zinc/16/99/05/1287169905.db2.gz VXSAEYHNJKTYHH-OAHLLOKOSA-N 2 0 350.511 0.964 20 0 FCADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001719238848 1287927370 /nfs/dbraw/zinc/92/73/70/1287927370.db2.gz GAZBQQZWJVZLHM-ZACQAIPSSA-N 2 0 368.522 0.256 20 0 FCADRP Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605722638 1288061289 /nfs/dbraw/zinc/06/12/89/1288061289.db2.gz HANYIZOYHDHVKP-ZIAGYGMSSA-N 2 0 372.477 0.783 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001719304256 1288072993 /nfs/dbraw/zinc/07/29/93/1288072993.db2.gz UBCDQNWGIYDZBK-ZACQAIPSSA-N 2 0 368.522 0.138 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001719331466 1288096932 /nfs/dbraw/zinc/09/69/32/1288096932.db2.gz AWORMBKZEUKIDT-HZPDHXFCSA-N 2 0 350.507 0.872 20 0 FCADRP [NH3+]CCCOCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606437118 1288316391 /nfs/dbraw/zinc/31/63/91/1288316391.db2.gz GVHAILLGBBASRS-UHFFFAOYSA-N 2 0 359.478 0.786 20 0 FCADRP [NH3+]C/C=C/CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606438453 1288318363 /nfs/dbraw/zinc/31/83/63/1288318363.db2.gz UIUCGPDYWIASER-OWOJBTEDSA-N 2 0 370.461 0.599 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCNC(=O)C4CC4)C3)C2)CC[N@@H+]1C ZINC001733296896 1288607599 /nfs/dbraw/zinc/60/75/99/1288607599.db2.gz UOUHOXOFRUIDDS-WRWLIDTKSA-N 2 0 362.518 0.777 20 0 FCADRP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC001607098533 1288661167 /nfs/dbraw/zinc/66/11/67/1288661167.db2.gz ZASZPCVHKTZWAF-INIZCTEOSA-N 2 0 358.446 0.823 20 0 FCADRP OC[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105221 1288663104 /nfs/dbraw/zinc/66/31/04/1288663104.db2.gz BOBPAFRKDQZVFE-HUUCEWRRSA-N 2 0 372.473 0.495 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001736233841 1289213472 /nfs/dbraw/zinc/21/34/72/1289213472.db2.gz YWDIFDGEOQUGNZ-ZACQAIPSSA-N 2 0 350.507 0.587 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001691917941 1289342943 /nfs/dbraw/zinc/34/29/43/1289342943.db2.gz UNQIIWRKYJSMQK-YESZJQIVSA-N 2 0 350.507 0.825 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001691983309 1289357682 /nfs/dbraw/zinc/35/76/82/1289357682.db2.gz XIDFHSAAVDXZOX-BPQIPLTHSA-N 2 0 363.506 0.561 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001692080794 1289385617 /nfs/dbraw/zinc/38/56/17/1289385617.db2.gz QHRAOLFKRCRJSH-CVEARBPZSA-N 2 0 364.490 0.258 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(CC)CC)CC[C@@H]2C1)[NH+](C)C ZINC001692083555 1289389197 /nfs/dbraw/zinc/38/91/97/1289389197.db2.gz YEUOSRGSKMVSPK-IKGGRYGDSA-N 2 0 352.523 0.975 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001692084407 1289391282 /nfs/dbraw/zinc/39/12/82/1289391282.db2.gz BMPFSRXLLVTTAG-MSOLQXFVSA-N 2 0 362.518 0.731 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001692215280 1289430064 /nfs/dbraw/zinc/43/00/64/1289430064.db2.gz WCCDMWIUDWSNRG-HYVNUMGLSA-N 2 0 350.507 0.824 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(CC)CC)CC[C@@H]2C1 ZINC001692289128 1289444205 /nfs/dbraw/zinc/44/42/05/1289444205.db2.gz KGTDOMUABRUJCF-SJORKVTESA-N 2 0 352.523 0.977 20 0 FCADRP COCC[N@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001698026991 1289521811 /nfs/dbraw/zinc/52/18/11/1289521811.db2.gz JRYAUJOXKKNTIF-KRWDZBQOSA-N 2 0 366.510 0.323 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001698720669 1289533852 /nfs/dbraw/zinc/53/38/52/1289533852.db2.gz CAOMJVKVNFRDKV-DJIMGWMZSA-N 2 0 350.507 0.824 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699578254 1289558581 /nfs/dbraw/zinc/55/85/81/1289558581.db2.gz YXXPNNDUCWXQQS-BPLDGKMQSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001739136294 1289814291 /nfs/dbraw/zinc/81/42/91/1289814291.db2.gz KPGLNMJVFNEFIX-RKHAHWSXSA-N 2 0 350.507 0.917 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1)[NH+](C)C ZINC001739577161 1290183423 /nfs/dbraw/zinc/18/34/23/1290183423.db2.gz GUIQALUDROMCNS-QLFBSQMISA-N 2 0 354.495 0.153 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001739727919 1290398893 /nfs/dbraw/zinc/39/88/93/1290398893.db2.gz TZCVALMCIMTVMV-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP CCN(CC)C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001672416017 1292080339 /nfs/dbraw/zinc/08/03/39/1292080339.db2.gz BAUPHRYHCIPDSE-WCXIOVBPSA-N 2 0 350.507 0.585 20 0 FCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001679408580 1292303521 /nfs/dbraw/zinc/30/35/21/1292303521.db2.gz DETROLLMSQJOAP-AEFFLSMTSA-N 2 0 368.522 0.633 20 0 FCADRP 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 ZINC001688022206 1293036341 /nfs/dbraw/zinc/03/63/41/1293036341.db2.gz OBCUMXPAQJRJKE-WRQOLXDDSA-N 2 0 366.506 0.058 20 0 FCADRP 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 ZINC001688022205 1293037025 /nfs/dbraw/zinc/03/70/25/1293037025.db2.gz OBCUMXPAQJRJKE-BQJWPVKWSA-N 2 0 366.506 0.058 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001688566588 1294509005 /nfs/dbraw/zinc/50/90/05/1294509005.db2.gz TYLVULKJUULCMT-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001688614923 1294512682 /nfs/dbraw/zinc/51/26/82/1294512682.db2.gz JOYOUPIQZODFKR-HRCADAONSA-N 2 0 356.486 0.724 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001689086502 1294605967 /nfs/dbraw/zinc/60/59/67/1294605967.db2.gz SEILBJGBTUIQHB-BRWVUGGUSA-N 2 0 368.522 0.353 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689239115 1294699861 /nfs/dbraw/zinc/69/98/61/1294699861.db2.gz ZPRXWIUJMRBKGR-SQNIBIBYSA-N 2 0 353.507 0.650 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001689238904 1294701040 /nfs/dbraw/zinc/70/10/40/1294701040.db2.gz QLLVKMUHLLPFCG-KSZLIROESA-N 2 0 353.507 0.772 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001689245129 1294703062 /nfs/dbraw/zinc/70/30/62/1294703062.db2.gz OLBHPJDTZHOTJB-ZACQAIPSSA-N 2 0 368.522 0.354 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC001689349628 1294766647 /nfs/dbraw/zinc/76/66/47/1294766647.db2.gz LGPYLISBTJGLCG-GJWNAUMXSA-N 2 0 350.507 0.846 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001689608794 1294813671 /nfs/dbraw/zinc/81/36/71/1294813671.db2.gz UVUDEXBKBBJCQL-XUWVNRHRSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCc2ccco2)C2CC2)CC[N@@H+]1C ZINC001690151758 1294859406 /nfs/dbraw/zinc/85/94/06/1294859406.db2.gz SBFJISRAVJBHFX-XYPHTWIQSA-N 2 0 362.474 0.720 20 0 FCADRP CC(C)N(C)Cc1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164683386 719609137 /nfs/dbraw/zinc/60/91/37/719609137.db2.gz IPQWMEBGUUFXCB-UHFFFAOYSA-N 2 0 370.505 0.558 20 0 FCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164683755 719723448 /nfs/dbraw/zinc/72/34/48/719723448.db2.gz GCKJCQQUBLBMSY-UHFFFAOYSA-N 2 0 373.505 0.067 20 0 FCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001164728438 720507057 /nfs/dbraw/zinc/50/70/57/720507057.db2.gz FTVGUUUGHTYOAQ-INIZCTEOSA-N 2 0 370.505 0.623 20 0 FCADRP c1ncc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)cn1 ZINC001164741519 720609952 /nfs/dbraw/zinc/60/99/52/720609952.db2.gz LIMZNRLFWRFZFL-LSDHHAIUSA-N 2 0 367.457 0.297 20 0 FCADRP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739092 720632299 /nfs/dbraw/zinc/63/22/99/720632299.db2.gz DYHDSTZJTBWROL-HZPDHXFCSA-N 2 0 352.442 0.859 20 0 FCADRP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739090 720633637 /nfs/dbraw/zinc/63/36/37/720633637.db2.gz DYHDSTZJTBWROL-CVEARBPZSA-N 2 0 352.442 0.859 20 0 FCADRP c1ncc(O[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164744161 720730645 /nfs/dbraw/zinc/73/06/45/720730645.db2.gz RIGJFWRLKIUBIS-HUUCEWRRSA-N 2 0 353.430 0.254 20 0 FCADRP Cc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc(N(C)C)[nH+]1 ZINC001164748780 720946747 /nfs/dbraw/zinc/94/67/47/720946747.db2.gz CRTDUWUIXHABMB-UHFFFAOYSA-N 2 0 373.461 0.693 20 0 FCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164766406 721075300 /nfs/dbraw/zinc/07/53/00/721075300.db2.gz KETJVTAKDSZUGX-IRXDYDNUSA-N 2 0 367.501 0.857 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164923180 721848334 /nfs/dbraw/zinc/84/83/34/721848334.db2.gz SPLPXLANMNVOFV-LSDHHAIUSA-N 2 0 350.898 0.990 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933310 721880872 /nfs/dbraw/zinc/88/08/72/721880872.db2.gz LXIWIKHJQJIXLN-DLBZAZTESA-N 2 0 360.506 0.822 20 0 FCADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933311 721881029 /nfs/dbraw/zinc/88/10/29/721881029.db2.gz LXIWIKHJQJIXLN-IAGOWNOFSA-N 2 0 360.506 0.822 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001067536535 837465692 /nfs/dbraw/zinc/46/56/92/837465692.db2.gz YYYFFRJAERWAHK-HZPDHXFCSA-N 2 0 352.523 0.975 20 0 FCADRP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070372251 837650487 /nfs/dbraw/zinc/65/04/87/837650487.db2.gz ZDXKALIBNYHTNE-IIVZCXTMSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001070576940 837660046 /nfs/dbraw/zinc/66/00/46/837660046.db2.gz JBFDGURJIPYOFT-MELADBBJSA-N 2 0 350.467 0.591 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001070807505 837682292 /nfs/dbraw/zinc/68/22/92/837682292.db2.gz XZDUBAMGVCQDKY-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071056917 837720063 /nfs/dbraw/zinc/72/00/63/837720063.db2.gz SLQLEPCWWIHHPM-KURKYZTESA-N 2 0 351.491 0.306 20 0 FCADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001071064191 837722384 /nfs/dbraw/zinc/72/23/84/837722384.db2.gz HYBNLMRIWIPZCS-PVAVHDDUSA-N 2 0 354.495 0.044 20 0 FCADRP CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000388792053 836055022 /nfs/dbraw/zinc/05/50/22/836055022.db2.gz IOBXBPKEVBUMOF-KRWDZBQOSA-N 2 0 352.504 0.733 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101277696 844130320 /nfs/dbraw/zinc/13/03/20/844130320.db2.gz UONQGERMFWZWNG-MDZRGWNJSA-N 2 0 350.507 0.633 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312767 844142248 /nfs/dbraw/zinc/14/22/48/844142248.db2.gz JZRLFGOQHQMCFV-QAPCUYQASA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747566696 836249334 /nfs/dbraw/zinc/24/93/34/836249334.db2.gz FAQKLSQOEQAEOC-FGTMMUONSA-N 2 0 352.523 0.724 20 0 FCADRP C[N@H+](CCC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1)C1CCCCC1 ZINC001101312966 844143219 /nfs/dbraw/zinc/14/32/19/844143219.db2.gz VEWXELHDAFWMSU-BEFAXECRSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341203 844151714 /nfs/dbraw/zinc/15/17/14/844151714.db2.gz APDJGHWNBJMEOM-DAYGRLMNSA-N 2 0 350.507 0.585 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368941 844163039 /nfs/dbraw/zinc/16/30/39/844163039.db2.gz VOWULCCSIONOGM-BEFAXECRSA-N 2 0 352.523 0.833 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101397668 844173582 /nfs/dbraw/zinc/17/35/82/844173582.db2.gz BJJYYZZJYCPYLC-APWZRJJASA-N 2 0 350.507 0.731 20 0 FCADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000828588567 836540665 /nfs/dbraw/zinc/54/06/65/836540665.db2.gz SEYQCJOTLOHQPS-DAWZGUTISA-N 2 0 353.507 0.840 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101418474 844180040 /nfs/dbraw/zinc/18/00/40/844180040.db2.gz TZYHEKKJBCKUAQ-APWZRJJASA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101418259 844180156 /nfs/dbraw/zinc/18/01/56/844180156.db2.gz ISLOFVZMBKUNBA-APWZRJJASA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001026496532 836593674 /nfs/dbraw/zinc/59/36/74/836593674.db2.gz IFVPSNDXSRRNJP-PRLABOORSA-N 2 0 351.495 0.369 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001026496369 836594165 /nfs/dbraw/zinc/59/41/65/836594165.db2.gz ZLNIMQVGZVQZSU-RDHHWEPZSA-N 2 0 350.507 0.966 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621581 836701254 /nfs/dbraw/zinc/70/12/54/836701254.db2.gz ZEYHRJNALVSMNF-BZUAXINKSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101478595 844203011 /nfs/dbraw/zinc/20/30/11/844203011.db2.gz WAWWWRIFULWRJV-APWZRJJASA-N 2 0 350.507 0.633 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128160 838752585 /nfs/dbraw/zinc/75/25/85/838752585.db2.gz ZNRHKHBQDYSMEG-CGTJXYLNSA-N 2 0 353.507 0.695 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219796 838822667 /nfs/dbraw/zinc/82/26/67/838822667.db2.gz YQPZXLPDRRPMDT-GVDBMIGSSA-N 2 0 351.491 0.450 20 0 FCADRP CC(C)(C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504868 839002217 /nfs/dbraw/zinc/00/22/17/839002217.db2.gz BZXURERKFUKIQI-IAGOWNOFSA-N 2 0 353.507 0.839 20 0 FCADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554123 839029256 /nfs/dbraw/zinc/02/92/56/839029256.db2.gz ZAXSLCTWIFMGKM-CGTJXYLNSA-N 2 0 353.507 0.839 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044701 844394825 /nfs/dbraw/zinc/39/48/25/844394825.db2.gz AXZMPEAHBZXHFL-HZPDHXFCSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077618407 839072801 /nfs/dbraw/zinc/07/28/01/839072801.db2.gz HPMHYTUBHQFIBV-KZNAEPCWSA-N 2 0 353.507 0.431 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059448 844399982 /nfs/dbraw/zinc/39/99/82/844399982.db2.gz PPBIKEYJPAJQOH-INMHGKMJSA-N 2 0 350.507 0.824 20 0 FCADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C)[NH+](C)C ZINC001102087974 844408573 /nfs/dbraw/zinc/40/85/73/844408573.db2.gz FWMNTRWKKNEHBW-KBRIMQKVSA-N 2 0 350.511 0.919 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102090846 844409230 /nfs/dbraw/zinc/40/92/30/844409230.db2.gz HEKRRRJAJGADMN-DJIMGWMZSA-N 2 0 350.507 0.681 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978802 839266097 /nfs/dbraw/zinc/26/60/97/839266097.db2.gz OZIPQXZNBOUONV-CGTJXYLNSA-N 2 0 351.491 0.306 20 0 FCADRP COCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171418 844434018 /nfs/dbraw/zinc/43/40/18/844434018.db2.gz WXTLQVYOYARWPI-QCZOYZIOSA-N 2 0 351.491 0.570 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079260820 839501707 /nfs/dbraw/zinc/50/17/07/839501707.db2.gz REZVBLBHAPNUCW-YESZJQIVSA-N 2 0 351.491 0.402 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289838 844459873 /nfs/dbraw/zinc/45/98/73/844459873.db2.gz TVXYSFXPZRLPDZ-OWCLPIDISA-N 2 0 371.547 0.447 20 0 FCADRP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102290708 844460120 /nfs/dbraw/zinc/46/01/20/844460120.db2.gz RSJXZRYIYZXKOT-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314682 844464781 /nfs/dbraw/zinc/46/47/81/844464781.db2.gz VFLOGGGEXCWKEN-IAGOWNOFSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318590 844466381 /nfs/dbraw/zinc/46/63/81/844466381.db2.gz ACVGYXZPYGGYSN-OWCLPIDISA-N 2 0 359.536 0.447 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001080705048 839780275 /nfs/dbraw/zinc/78/02/75/839780275.db2.gz ZJPNYZLQSLGFDU-OIISXLGYSA-N 2 0 350.507 0.822 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080783330 839798387 /nfs/dbraw/zinc/79/83/87/839798387.db2.gz OYHGJWNAEHZRHQ-FVQBIDKESA-N 2 0 366.531 0.997 20 0 FCADRP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080783331 839799563 /nfs/dbraw/zinc/79/95/63/839799563.db2.gz OYHGJWNAEHZRHQ-VNQPRFMTSA-N 2 0 366.531 0.997 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001102377047 844480071 /nfs/dbraw/zinc/48/00/71/844480071.db2.gz LELBTTFVJWIKMZ-OIISXLGYSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480263 844519506 /nfs/dbraw/zinc/51/95/06/844519506.db2.gz HVSXUCRFWORMQB-IAGOWNOFSA-N 2 0 350.507 0.635 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497418 844531047 /nfs/dbraw/zinc/53/10/47/844531047.db2.gz RXVKBIAHEDAENV-ARFHVFGLSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082447677 840415477 /nfs/dbraw/zinc/41/54/77/840415477.db2.gz JRMIUPSSEMKSLL-BRWVUGGUSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082544929 840457470 /nfs/dbraw/zinc/45/74/70/840457470.db2.gz YEBBOGCAFAYEES-OAGGEKHMSA-N 2 0 351.495 0.323 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082562099 840466558 /nfs/dbraw/zinc/46/65/58/840466558.db2.gz NRKUHBXHZJJRIC-BFYDXBDKSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514305 844546045 /nfs/dbraw/zinc/54/60/45/844546045.db2.gz SZRLLVOCLRBJTN-OWCLPIDISA-N 2 0 351.495 0.038 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1)[NH+](C)C ZINC001082589328 840477850 /nfs/dbraw/zinc/47/78/50/840477850.db2.gz VXDBLQPSZZJDSO-BPLDGKMQSA-N 2 0 371.503 0.960 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082608359 840491311 /nfs/dbraw/zinc/49/13/11/840491311.db2.gz SZPICMZYGJLJKQ-FVQBIDKESA-N 2 0 350.507 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082617280 840495637 /nfs/dbraw/zinc/49/56/37/840495637.db2.gz IDAKEHSDHPIBDI-BZUAXINKSA-N 2 0 369.531 0.486 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514304 844545801 /nfs/dbraw/zinc/54/58/01/844545801.db2.gz SZRLLVOCLRBJTN-BZUAXINKSA-N 2 0 351.495 0.038 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccs1 ZINC001082653418 840512948 /nfs/dbraw/zinc/51/29/48/840512948.db2.gz JXJNMDSQGJUFKQ-PGJZFTLKSA-N 2 0 362.499 0.943 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102524991 844552723 /nfs/dbraw/zinc/55/27/23/844552723.db2.gz HDIZIHRTFOAGDB-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524929 844553828 /nfs/dbraw/zinc/55/38/28/844553828.db2.gz DNJDHZWNHQFJMA-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]32)CC1 ZINC001083182959 840779912 /nfs/dbraw/zinc/77/99/12/840779912.db2.gz GIYQMLMLHRGLHB-FGTMMUONSA-N 2 0 351.491 0.809 20 0 FCADRP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579166 844572946 /nfs/dbraw/zinc/57/29/46/844572946.db2.gz LFDRWEFPWZAGAA-HZPDHXFCSA-N 2 0 359.536 0.591 20 0 FCADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]32)CC1 ZINC001083182816 840780312 /nfs/dbraw/zinc/78/03/12/840780312.db2.gz YSXKYAHXOWLFBX-BPQIPLTHSA-N 2 0 351.491 0.666 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235271 840819455 /nfs/dbraw/zinc/81/94/55/840819455.db2.gz VPSKOEPBTMTBFT-BHYGNILZSA-N 2 0 357.470 0.757 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC001083275214 840856146 /nfs/dbraw/zinc/85/61/46/840856146.db2.gz SUWNLTOXHOWXJJ-FGTMMUONSA-N 2 0 351.491 0.953 20 0 FCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599165 844588571 /nfs/dbraw/zinc/58/85/71/844588571.db2.gz RVBRTVKCJBKTRW-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083523347 841120775 /nfs/dbraw/zinc/12/07/75/841120775.db2.gz ZPRXWSIMNPIUAZ-KURKYZTESA-N 2 0 351.491 0.591 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601589 841220929 /nfs/dbraw/zinc/22/09/29/841220929.db2.gz CORBAFRWSOJHOH-BBWFWOEESA-N 2 0 351.491 0.735 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602164 841221515 /nfs/dbraw/zinc/22/15/15/841221515.db2.gz HQGQLUHMAQCKRY-SJORKVTESA-N 2 0 351.491 0.593 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC[C@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781552 841428467 /nfs/dbraw/zinc/42/84/67/841428467.db2.gz LVTHHCDBTGIVNO-ZACQAIPSSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083908410 841555604 /nfs/dbraw/zinc/55/56/04/841555604.db2.gz BIXZQOFKGXMMKF-KSZLIROESA-N 2 0 353.507 0.837 20 0 FCADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC001275860221 861230069 /nfs/dbraw/zinc/23/00/69/861230069.db2.gz RHVBLRVFHUKAPU-MSOLQXFVSA-N 2 0 350.507 0.334 20 0 FCADRP COCCCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275879869 861243513 /nfs/dbraw/zinc/24/35/13/861243513.db2.gz QMFPPDKCAOONOO-MJGOQNOKSA-N 2 0 353.507 0.916 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085393838 842092056 /nfs/dbraw/zinc/09/20/56/842092056.db2.gz MLDJMPZLKDKYRK-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601612 842108545 /nfs/dbraw/zinc/10/85/45/842108545.db2.gz BQMZQCPAGZUXIO-KSZLIROESA-N 2 0 353.507 0.912 20 0 FCADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086369269 842128729 /nfs/dbraw/zinc/12/87/29/842128729.db2.gz YNFDYMRORRMBGA-TWPTVVAISA-N 2 0 353.507 0.599 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001086854021 842183203 /nfs/dbraw/zinc/18/32/03/842183203.db2.gz DTUOBFODMPHMPF-ARFHVFGLSA-N 2 0 369.531 0.391 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087035049 842232482 /nfs/dbraw/zinc/23/24/82/842232482.db2.gz JPRQSNLWEWFZRE-RBSFLKMASA-N 2 0 350.467 0.160 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087059687 842255544 /nfs/dbraw/zinc/25/55/44/842255544.db2.gz QANPKFIIYNIIGJ-BMFZPTHFSA-N 2 0 367.519 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087062681 842259214 /nfs/dbraw/zinc/25/92/14/842259214.db2.gz QGTXYAHZAHBRHM-BPLDGKMQSA-N 2 0 355.508 0.831 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087079816 842273570 /nfs/dbraw/zinc/27/35/70/842273570.db2.gz HUNGCCBSZUBUAA-GDBMZVCRSA-N 2 0 351.451 0.365 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083409 842276447 /nfs/dbraw/zinc/27/64/47/842276447.db2.gz CKKZHJBRWFKJPJ-RRFJBIMHSA-N 2 0 367.519 0.976 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087100856 842289157 /nfs/dbraw/zinc/28/91/57/842289157.db2.gz IGBOWTPVAIXGIO-KZNAEPCWSA-N 2 0 353.507 0.818 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087749955 842422100 /nfs/dbraw/zinc/42/21/00/842422100.db2.gz JYLBCOQIEQRYCF-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087827649 842441175 /nfs/dbraw/zinc/44/11/75/842441175.db2.gz DGBJSPNSTWELBC-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999328 842496217 /nfs/dbraw/zinc/49/62/17/842496217.db2.gz GCJUGUILFSTPMJ-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001088021125 842507441 /nfs/dbraw/zinc/50/74/41/842507441.db2.gz UZQOYGDRHBSWMI-CABCVRRESA-N 2 0 350.507 0.905 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064570 842521796 /nfs/dbraw/zinc/52/17/96/842521796.db2.gz KXHOIQRWQBOWCV-PMPSAXMXSA-N 2 0 350.507 0.905 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130203 842538542 /nfs/dbraw/zinc/53/85/42/842538542.db2.gz ATNXYRJZUCXJHG-SJORKVTESA-N 2 0 350.507 0.587 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150845 842545337 /nfs/dbraw/zinc/54/53/37/842545337.db2.gz ZHFYDJIYZNMTHQ-IKGGRYGDSA-N 2 0 350.507 0.763 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211966 842562671 /nfs/dbraw/zinc/56/26/71/842562671.db2.gz IIPLVONKUXKJIS-IKGGRYGDSA-N 2 0 350.507 0.907 20 0 FCADRP COCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091784291 843093298 /nfs/dbraw/zinc/09/32/98/843093298.db2.gz VJPCQNSSPCZDAR-APWZRJJASA-N 2 0 353.507 0.772 20 0 FCADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022496 843143218 /nfs/dbraw/zinc/14/32/18/843143218.db2.gz WRCSDSBVFKUHDE-VKJFTORMSA-N 2 0 351.495 0.132 20 0 FCADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001092616216 843253712 /nfs/dbraw/zinc/25/37/12/843253712.db2.gz XJPSFQCWPQMGKT-DDBAPUKQSA-N 2 0 353.507 0.410 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734806 843287866 /nfs/dbraw/zinc/28/78/66/843287866.db2.gz IQOSQUVQTOMKGS-INMHGKMJSA-N 2 0 350.507 0.776 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907220 843336027 /nfs/dbraw/zinc/33/60/27/843336027.db2.gz YSGRDOLUUVQFGJ-BRWVUGGUSA-N 2 0 352.523 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093285171 843420727 /nfs/dbraw/zinc/42/07/27/843420727.db2.gz NDHRCUOFAWOVFJ-OIISXLGYSA-N 2 0 350.507 0.633 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001094013980 843504421 /nfs/dbraw/zinc/50/44/21/843504421.db2.gz ORKGNBZVAKFXLI-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2nncs2)[C@H](C)C1 ZINC001094224425 843532958 /nfs/dbraw/zinc/53/29/58/843532958.db2.gz KOLSUCYAKMELHJ-QLFBSQMISA-N 2 0 367.519 0.691 20 0 FCADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496649 843558650 /nfs/dbraw/zinc/55/86/50/843558650.db2.gz DUHPXWPUNHFDOJ-YIOZNXECSA-N 2 0 350.507 0.824 20 0 FCADRP COCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276368253 861431379 /nfs/dbraw/zinc/43/13/79/861431379.db2.gz QSRVHSZMBLHMFC-GOSISDBHSA-N 2 0 350.463 0.898 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001095531789 843736293 /nfs/dbraw/zinc/73/62/93/843736293.db2.gz SBPFGLTVEPBBMY-VSZNYVQBSA-N 2 0 351.491 0.734 20 0 FCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001095531788 843736388 /nfs/dbraw/zinc/73/63/88/843736388.db2.gz SBPFGLTVEPBBMY-OWSLCNJRSA-N 2 0 351.491 0.734 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCO)CC3)C2)CC[N@@H+]1C ZINC001098603711 843927779 /nfs/dbraw/zinc/92/77/79/843927779.db2.gz VNJFHUJASKUULQ-YESZJQIVSA-N 2 0 353.507 0.791 20 0 FCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994324 844681651 /nfs/dbraw/zinc/68/16/51/844681651.db2.gz YKKNMEBCIJHZEE-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994126 844681965 /nfs/dbraw/zinc/68/19/65/844681965.db2.gz RLCGIJAEJGCXED-OIISXLGYSA-N 2 0 371.547 0.447 20 0 FCADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1sccc1C[NH+](C)C ZINC001103049763 844689683 /nfs/dbraw/zinc/68/96/83/844689683.db2.gz DEZRMDWZVGXKAH-CHWSQXEVSA-N 2 0 352.504 0.983 20 0 FCADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001103140297 844706542 /nfs/dbraw/zinc/70/65/42/844706542.db2.gz XGDADOHWURZXJL-DJIMGWMZSA-N 2 0 352.523 0.927 20 0 FCADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373357 844745031 /nfs/dbraw/zinc/74/50/31/844745031.db2.gz NWTILRUTJGPUTC-ZIAGYGMSSA-N 2 0 350.463 0.775 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380189 844745951 /nfs/dbraw/zinc/74/59/51/844745951.db2.gz IUSQMPUGOPRUOO-NVXWUHKLSA-N 2 0 352.523 0.929 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398217 844750981 /nfs/dbraw/zinc/75/09/81/844750981.db2.gz IMXWVMLQIVBXMJ-HZPDHXFCSA-N 2 0 356.511 0.165 20 0 FCADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395881 844751170 /nfs/dbraw/zinc/75/11/70/844751170.db2.gz QWMDCCKBKMQHHF-GDBMZVCRSA-N 2 0 359.536 0.447 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103407733 844752328 /nfs/dbraw/zinc/75/23/28/844752328.db2.gz RBVYZUNKAKIXQK-BZUAXINKSA-N 2 0 361.552 0.691 20 0 FCADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+](C)C ZINC001103407874 844752851 /nfs/dbraw/zinc/75/28/51/844752851.db2.gz YMCBEZUGQWEXSG-JFIYKMOQSA-N 2 0 352.523 0.879 20 0 FCADRP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCCN(CCC[NH+](C)C)C2 ZINC001276608815 861495601 /nfs/dbraw/zinc/49/56/01/861495601.db2.gz FFBRHJSGIZGQLE-QAPCUYQASA-N 2 0 355.479 0.441 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584254 844784947 /nfs/dbraw/zinc/78/49/47/844784947.db2.gz JNPOWHQPAIIYRU-RBSFLKMASA-N 2 0 354.495 0.045 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103644456 844793616 /nfs/dbraw/zinc/79/36/16/844793616.db2.gz AJZZPFMDWSQHPT-BZUAXINKSA-N 2 0 350.507 0.681 20 0 FCADRP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)o1 ZINC001103641743 844793650 /nfs/dbraw/zinc/79/36/50/844793650.db2.gz BBOHJDSBBFITGD-UKRRQHHQSA-N 2 0 353.467 0.530 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641773 844793879 /nfs/dbraw/zinc/79/38/79/844793879.db2.gz CLERZELEDFUYOO-IAGOWNOFSA-N 2 0 359.511 0.302 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1COC(C)(C)O1)C2 ZINC001276617199 861502661 /nfs/dbraw/zinc/50/26/61/861502661.db2.gz HZDODYZSGCYHMC-QAPCUYQASA-N 2 0 355.479 0.250 20 0 FCADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3COC(C)(C)O3)C2)C1=O ZINC001276617964 861501889 /nfs/dbraw/zinc/50/18/89/861501889.db2.gz NXRUBHWDKNOQIB-KDOFPFPSSA-N 2 0 353.463 0.541 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001104215022 844878454 /nfs/dbraw/zinc/87/84/54/844878454.db2.gz HLQXJFLILLDYIS-ZJPYXAASSA-N 2 0 355.523 0.800 20 0 FCADRP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104622228 844926904 /nfs/dbraw/zinc/92/69/04/844926904.db2.gz UCOHGTDXGZNTDK-NVXWUHKLSA-N 2 0 352.523 0.927 20 0 FCADRP COCCOC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104624078 844928175 /nfs/dbraw/zinc/92/81/75/844928175.db2.gz MNTRXPYWYWYRHD-BRWVUGGUSA-N 2 0 359.511 0.036 20 0 FCADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832436 844948868 /nfs/dbraw/zinc/94/88/68/844948868.db2.gz AQQJEEREMNWKQP-IAGOWNOFSA-N 2 0 352.523 0.929 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104873805 844954199 /nfs/dbraw/zinc/95/41/99/844954199.db2.gz GHQCGDBNWHPEJD-ZIAGYGMSSA-N 2 0 352.483 0.024 20 0 FCADRP Cc1nnsc1C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908429 844958717 /nfs/dbraw/zinc/95/87/17/844958717.db2.gz WRWPREDVQNFKJJ-UKRRQHHQSA-N 2 0 369.535 0.999 20 0 FCADRP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104907961 844958920 /nfs/dbraw/zinc/95/89/20/844958920.db2.gz BWXZOPLRYXCYHW-HZPDHXFCSA-N 2 0 356.511 0.117 20 0 FCADRP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913780 844959793 /nfs/dbraw/zinc/95/97/93/844959793.db2.gz CZUOZCQZWJAKRW-IAGOWNOFSA-N 2 0 353.507 0.819 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001105014290 844969093 /nfs/dbraw/zinc/96/90/93/844969093.db2.gz KYTQTLADMLMXHA-BRWVUGGUSA-N 2 0 371.547 0.591 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001105014232 844969131 /nfs/dbraw/zinc/96/91/31/844969131.db2.gz HZHBGRFRMADLET-HZPDHXFCSA-N 2 0 359.536 0.591 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001105064219 844977091 /nfs/dbraw/zinc/97/70/91/844977091.db2.gz CZRBFSIYYMMIAA-QLFBSQMISA-N 2 0 351.499 0.686 20 0 FCADRP CC(C)[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668404 845014519 /nfs/dbraw/zinc/01/45/19/845014519.db2.gz WSPVLAXJHSHWKA-FPAYPSAMSA-N 2 0 355.523 0.939 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105669045 845016233 /nfs/dbraw/zinc/01/62/33/845016233.db2.gz OXJNYOAQWJIYFZ-PSBWJHGTSA-N 2 0 355.523 0.677 20 0 FCADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143153 845113217 /nfs/dbraw/zinc/11/32/17/845113217.db2.gz TZSIEUIJWIHMNM-OIISXLGYSA-N 2 0 350.507 0.539 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C2)CC[N@@H+]1C ZINC001106151453 845115312 /nfs/dbraw/zinc/11/53/12/845115312.db2.gz SZWNYSXGBVKXLB-WCXIOVBPSA-N 2 0 352.523 0.879 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)[NH+](C)C ZINC001106281830 845147129 /nfs/dbraw/zinc/14/71/29/845147129.db2.gz GCPVCUSNYAYVHG-OAGGEKHMSA-N 2 0 353.511 0.282 20 0 FCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309065 845152117 /nfs/dbraw/zinc/15/21/17/845152117.db2.gz ODMWPROOWGHWHS-ZACQAIPSSA-N 2 0 353.507 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106323053 845153903 /nfs/dbraw/zinc/15/39/03/845153903.db2.gz WLYNGRAHRNDCTL-ZACQAIPSSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106339954 845159039 /nfs/dbraw/zinc/15/90/39/845159039.db2.gz GYGMOMVLBAWPLL-MGPQQGTHSA-N 2 0 352.479 0.206 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106597691 845202208 /nfs/dbraw/zinc/20/22/08/845202208.db2.gz IZLJGVIUMHPVEA-CHWSQXEVSA-N 2 0 366.428 0.691 20 0 FCADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)C1=O ZINC001106594638 845202242 /nfs/dbraw/zinc/20/22/42/845202242.db2.gz YGMNXDDBBUOGOM-BZUAXINKSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106593367 845202567 /nfs/dbraw/zinc/20/25/67/845202567.db2.gz DLWHWCBIUCZNMM-HZPDHXFCSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106622758 845206927 /nfs/dbraw/zinc/20/69/27/845206927.db2.gz ORBPWRMQOKRUTK-VXGBXAGGSA-N 2 0 352.401 0.301 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106662892 845217459 /nfs/dbraw/zinc/21/74/59/845217459.db2.gz IUMXCIONLVAZME-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106665319 845218401 /nfs/dbraw/zinc/21/84/01/845218401.db2.gz SEDDJCFVTSWMCH-IXDOHACOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001106672238 845222090 /nfs/dbraw/zinc/22/20/90/845222090.db2.gz MBMVBCYCKRMGRX-HUUCEWRRSA-N 2 0 350.511 0.977 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)[NH+](C)C ZINC001106674532 845223369 /nfs/dbraw/zinc/22/33/69/845223369.db2.gz ZGXGOZKQWZHAJX-MCIONIFRSA-N 2 0 351.451 0.637 20 0 FCADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001106810468 845257991 /nfs/dbraw/zinc/25/79/91/845257991.db2.gz AMCVVYKHSXSOKE-FMKPAKJESA-N 2 0 354.495 0.045 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106839301 845263928 /nfs/dbraw/zinc/26/39/28/845263928.db2.gz BUHSCOCSSABXJN-BZUAXINKSA-N 2 0 361.552 0.693 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106874848 845276468 /nfs/dbraw/zinc/27/64/68/845276468.db2.gz VJHMTMXPKSPELS-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106880396 845277072 /nfs/dbraw/zinc/27/70/72/845277072.db2.gz IHTAZWPSHQEADZ-HZPDHXFCSA-N 2 0 351.495 0.225 20 0 FCADRP CCCC[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(N)=O ZINC001106885203 845278491 /nfs/dbraw/zinc/27/84/91/845278491.db2.gz WXEXJLGNWMNHFM-OAGGEKHMSA-N 2 0 350.507 0.810 20 0 FCADRP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881220 845278672 /nfs/dbraw/zinc/27/86/72/845278672.db2.gz ZKIMXZKTGYYZDX-TZMCWYRMSA-N 2 0 355.508 0.609 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106910921 845284522 /nfs/dbraw/zinc/28/45/22/845284522.db2.gz VRDORIMGBPQGQO-BZUAXINKSA-N 2 0 359.536 0.447 20 0 FCADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001106929435 845288357 /nfs/dbraw/zinc/28/83/57/845288357.db2.gz KFEYDNQRAMXJSG-MDZRGWNJSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106982668 845300462 /nfs/dbraw/zinc/30/04/62/845300462.db2.gz NNTVREJYCWFNKI-IXDOHACOSA-N 2 0 350.507 0.635 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001107030567 845312322 /nfs/dbraw/zinc/31/23/22/845312322.db2.gz MBLCMYSLNOTRRE-ZACQAIPSSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)[NH+]1CCCC1 ZINC001107037649 845316914 /nfs/dbraw/zinc/31/69/14/845316914.db2.gz ZWQIYCBKGUONPB-KURKYZTESA-N 2 0 355.523 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001107071739 845326060 /nfs/dbraw/zinc/32/60/60/845326060.db2.gz QLQWGFAWANHDRJ-BRWVUGGUSA-N 2 0 350.507 0.825 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328957 845353705 /nfs/dbraw/zinc/35/37/05/845353705.db2.gz CNXNCINMIVEEEK-FRQCXROJSA-N 2 0 350.507 0.966 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438705 845373266 /nfs/dbraw/zinc/37/32/66/845373266.db2.gz HJPGHHSFZVLELX-SZVBFZGTSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107451178 845375879 /nfs/dbraw/zinc/37/58/79/845375879.db2.gz QPKNQFPQCHNFCV-ZHALLVOQSA-N 2 0 353.507 0.840 20 0 FCADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2)[NH+](C)C ZINC001107553966 845397158 /nfs/dbraw/zinc/39/71/58/845397158.db2.gz RZAXCNKOVROBIR-FRQCXROJSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H](COCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[NH+]1CCCC1 ZINC001107552662 845398236 /nfs/dbraw/zinc/39/82/36/845398236.db2.gz QLGZOJZHJKKOOV-ZHALLVOQSA-N 2 0 353.507 0.840 20 0 FCADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819791 861629913 /nfs/dbraw/zinc/62/99/13/861629913.db2.gz WKTPOKIRTXVVFI-KBXCAEBGSA-N 2 0 355.479 0.175 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2C[C@@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820133 861631120 /nfs/dbraw/zinc/63/11/20/861631120.db2.gz YRWWFJDUFPTQFO-RDTXWAMCSA-N 2 0 355.479 0.318 20 0 FCADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276825503 861634082 /nfs/dbraw/zinc/63/40/82/861634082.db2.gz UNKNJISFGHWWLE-CRAIPNDOSA-N 2 0 350.463 0.593 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCOC2)CC1 ZINC001111197087 846060026 /nfs/dbraw/zinc/06/00/26/846060026.db2.gz HSDZPYYKAAEQBK-AHCXZYCDSA-N 2 0 351.491 0.855 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001111233946 846066257 /nfs/dbraw/zinc/06/62/57/846066257.db2.gz YOWZSYRXWUGRTC-ZACQAIPSSA-N 2 0 354.495 0.202 20 0 FCADRP CCOC(=O)C[C@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276830008 861644141 /nfs/dbraw/zinc/64/41/41/861644141.db2.gz ZWZMUYDLYGVMLP-HNNXBMFYSA-N 2 0 355.479 0.177 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111740541 846187744 /nfs/dbraw/zinc/18/77/44/846187744.db2.gz BSVBDEWXJWCBMG-LNLFQRSKSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276848884 861652407 /nfs/dbraw/zinc/65/24/07/861652407.db2.gz LCTZWAPCVYVCLU-LJQANCHMSA-N 2 0 352.523 0.583 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111858233 846232596 /nfs/dbraw/zinc/23/25/96/846232596.db2.gz VFNTYFZPWRIMGN-FCEWJHQRSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001111864473 846234930 /nfs/dbraw/zinc/23/49/30/846234930.db2.gz RPEPRWOMGYMCSZ-ZOBUZTSGSA-N 2 0 359.536 0.590 20 0 FCADRP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861378 846235716 /nfs/dbraw/zinc/23/57/16/846235716.db2.gz KFTBMHOXFNHTTD-YJBOKZPZSA-N 2 0 354.495 0.062 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870647 846238794 /nfs/dbraw/zinc/23/87/94/846238794.db2.gz HSAOYXATYANWMZ-BXWFABGCSA-N 2 0 350.507 0.920 20 0 FCADRP CCOC(=O)C(=O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276868265 861657703 /nfs/dbraw/zinc/65/77/03/861657703.db2.gz IAQZMFJVMFRXOE-SFHVURJKSA-N 2 0 353.463 0.385 20 0 FCADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001111949124 846271811 /nfs/dbraw/zinc/27/18/11/846271811.db2.gz OQBQGCNMKWJCGI-FCEWJHQRSA-N 2 0 350.507 0.968 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004644 846289305 /nfs/dbraw/zinc/28/93/05/846289305.db2.gz KWFXMJFZUTXUFH-LNLFQRSKSA-N 2 0 353.507 0.840 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001112009886 846293620 /nfs/dbraw/zinc/29/36/20/846293620.db2.gz YOUXNXVLYHSMTB-FCEWJHQRSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CCC1 ZINC001112113073 846393504 /nfs/dbraw/zinc/39/35/04/846393504.db2.gz BYJSFXVVOZAIQJ-CHWSQXEVSA-N 2 0 367.412 0.459 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112124614 846402405 /nfs/dbraw/zinc/40/24/05/846402405.db2.gz ODXRRVZCWNJCFT-JHJVBQTASA-N 2 0 369.428 0.703 20 0 FCADRP CN(CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)c1cc[nH+]cc1 ZINC001112124493 846402946 /nfs/dbraw/zinc/40/29/46/846402946.db2.gz KBTBYYUIAHBIQD-ZIAGYGMSSA-N 2 0 360.380 0.879 20 0 FCADRP C[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001112158222 846424648 /nfs/dbraw/zinc/42/46/48/846424648.db2.gz YSGHUKQINJBOLL-ZIAGYGMSSA-N 2 0 367.412 0.316 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112160225 846426635 /nfs/dbraw/zinc/42/66/35/846426635.db2.gz YQEWMVKJFLIYSU-QJPTWQEYSA-N 2 0 352.401 0.394 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1 ZINC001112190310 846448837 /nfs/dbraw/zinc/44/88/37/846448837.db2.gz VGZBSNDDQOWCSF-ZIAGYGMSSA-N 2 0 369.428 0.970 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194247 846453227 /nfs/dbraw/zinc/45/32/27/846453227.db2.gz UXDDFOOZHLQSJB-ZIAGYGMSSA-N 2 0 369.428 0.969 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112205821 846463082 /nfs/dbraw/zinc/46/30/82/846463082.db2.gz BXNFSHXJSGBQGU-CHWSQXEVSA-N 2 0 353.385 0.070 20 0 FCADRP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285185 846487921 /nfs/dbraw/zinc/48/79/21/846487921.db2.gz OWKKVTCSSKSUQZ-BXWFABGCSA-N 2 0 350.507 0.824 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112428544 846504153 /nfs/dbraw/zinc/50/41/53/846504153.db2.gz LAASIBSOGUZHFJ-JZXOWHBKSA-N 2 0 371.547 0.734 20 0 FCADRP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)C1=O ZINC001112519601 846513313 /nfs/dbraw/zinc/51/33/13/846513313.db2.gz RICWEPBQTLBGMU-FCEWJHQRSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112522978 846513934 /nfs/dbraw/zinc/51/39/34/846513934.db2.gz WPUUPFXHPIADDT-LPHOPBHVSA-N 2 0 350.507 0.779 20 0 FCADRP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112589528 846532885 /nfs/dbraw/zinc/53/28/85/846532885.db2.gz DNYDWQTYKRVIGW-LPHOPBHVSA-N 2 0 350.507 0.956 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001116989128 846831660 /nfs/dbraw/zinc/83/16/60/846831660.db2.gz RQAGCLMUBAGIQX-UHFFFAOYSA-N 2 0 354.495 0.156 20 0 FCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001117978571 847239150 /nfs/dbraw/zinc/23/91/50/847239150.db2.gz LRPKJKYTYCZRMJ-INIZCTEOSA-N 2 0 350.507 0.969 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001118147570 847296418 /nfs/dbraw/zinc/29/64/18/847296418.db2.gz HQZMIZBONUTTOW-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+]C1(CNC(=O)C(=O)NC/C=C/Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001120433465 848199526 /nfs/dbraw/zinc/19/95/26/848199526.db2.gz OCYNLWDGIGXSMF-RUDMXATFSA-N 2 0 364.877 0.965 20 0 FCADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120567620 848246888 /nfs/dbraw/zinc/24/68/88/848246888.db2.gz MMKKLSQKPVNGGR-SFHVURJKSA-N 2 0 369.531 0.741 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810716 848397159 /nfs/dbraw/zinc/39/71/59/848397159.db2.gz NSSTTZSCXNAGOV-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001121922764 848417640 /nfs/dbraw/zinc/41/76/40/848417640.db2.gz OQYGWADNYSSDOO-PBHICJAKSA-N 2 0 354.495 0.093 20 0 FCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CNCC[NH3+])CC1 ZINC001122009370 848434131 /nfs/dbraw/zinc/43/41/31/848434131.db2.gz NIEDXEYONSCWSN-CQSZACIVSA-N 2 0 351.470 0.693 20 0 FCADRP [NH3+]C[C@H](O)CNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001122072106 848443277 /nfs/dbraw/zinc/44/32/77/848443277.db2.gz SFWZKEDFLLVHJY-ZDUSSCGKSA-N 2 0 356.264 0.506 20 0 FCADRP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCN1C ZINC001123794846 848639299 /nfs/dbraw/zinc/63/92/99/848639299.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 0 351.539 0.994 20 0 FCADRP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001127571672 848726751 /nfs/dbraw/zinc/72/67/51/848726751.db2.gz WZMGEBZKJFVWTA-SJORKVTESA-N 2 0 350.463 0.936 20 0 FCADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571383 848727216 /nfs/dbraw/zinc/72/72/16/848727216.db2.gz QUCOJPRLBHDCAA-SJORKVTESA-N 2 0 357.495 0.102 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nc3c(s2)CCC3)CC[N@@H+]1C ZINC001127637884 848730730 /nfs/dbraw/zinc/73/07/30/848730730.db2.gz BBKXKOTZLZWJRE-VXGBXAGGSA-N 2 0 365.503 0.616 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)ccc2F)CC[N@@H+]1C ZINC001127659839 848731344 /nfs/dbraw/zinc/73/13/44/848731344.db2.gz NFJJKYMUYFUWAH-DGCLKSJQSA-N 2 0 354.401 0.949 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2cccs2)CC[N@@H+]1C ZINC001127653008 848731463 /nfs/dbraw/zinc/73/14/63/848731463.db2.gz JGJKLSOFYVAKIQ-IJEWVQPXSA-N 2 0 355.504 0.672 20 0 FCADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660254 848731746 /nfs/dbraw/zinc/73/17/46/848731746.db2.gz STBVZFNYKIPAQJ-HZPDHXFCSA-N 2 0 356.511 0.211 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001127707283 848734370 /nfs/dbraw/zinc/73/43/70/848734370.db2.gz YPDHWIRSYGALGR-HZSPNIEDSA-N 2 0 351.451 0.746 20 0 FCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054962 848800943 /nfs/dbraw/zinc/80/09/43/848800943.db2.gz SEXJHLGFDAPSQY-OAGGEKHMSA-N 2 0 352.458 0.854 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276398 848824637 /nfs/dbraw/zinc/82/46/37/848824637.db2.gz IHKAECXAJIBCQD-CABCVRRESA-N 2 0 354.474 0.957 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129884695 848907558 /nfs/dbraw/zinc/90/75/58/848907558.db2.gz RAVIDMICWIMCBD-OAGGEKHMSA-N 2 0 350.467 0.140 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894607 848910044 /nfs/dbraw/zinc/91/00/44/848910044.db2.gz KUHIWKYQJQXLFY-CVEARBPZSA-N 2 0 350.467 0.140 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005763 848929379 /nfs/dbraw/zinc/92/93/79/848929379.db2.gz GPRDQZVAHNURMV-GCRBFPJHSA-N 2 0 352.870 0.714 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007724 848931324 /nfs/dbraw/zinc/93/13/24/848931324.db2.gz SGBAMOPJCMBZII-AGIUHOORSA-N 2 0 362.400 0.912 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001130232209 848982508 /nfs/dbraw/zinc/98/25/08/848982508.db2.gz CSMIBDSSRYOODG-KCQAQPDRSA-N 2 0 352.483 0.489 20 0 FCADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001130238027 848985270 /nfs/dbraw/zinc/98/52/70/848985270.db2.gz POMLUZVDIIVTAA-RDBSUJKOSA-N 2 0 350.467 0.387 20 0 FCADRP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+](CC)CC)n1 ZINC001130242425 848986886 /nfs/dbraw/zinc/98/68/86/848986886.db2.gz WLEWGJMRXDPFGN-KBPBESRZSA-N 2 0 352.483 0.635 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001130622153 849021329 /nfs/dbraw/zinc/02/13/29/849021329.db2.gz TXTGNTZFWYQLGL-IJEWVQPXSA-N 2 0 351.495 0.415 20 0 FCADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)OC ZINC001130669863 849025609 /nfs/dbraw/zinc/02/56/09/849025609.db2.gz KXTSVEXGUNALQO-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+](CC)CC ZINC001130674855 849026250 /nfs/dbraw/zinc/02/62/50/849026250.db2.gz FHWYPLLNPIQKEU-USXIJHARSA-N 2 0 351.495 0.417 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130706739 849027619 /nfs/dbraw/zinc/02/76/19/849027619.db2.gz WQSUAEZTZIGUTO-YQQAZPJKSA-N 2 0 351.495 0.681 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130706726 849028098 /nfs/dbraw/zinc/02/80/98/849028098.db2.gz VNRBQUNMMPWIMY-HLLBOEOZSA-N 2 0 351.495 0.681 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737155 849030580 /nfs/dbraw/zinc/03/05/80/849030580.db2.gz VEHSNNNMPXYJHV-YQQAZPJKSA-N 2 0 351.495 0.679 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C3CCC3)n2)O1 ZINC001130790197 849043539 /nfs/dbraw/zinc/04/35/39/849043539.db2.gz MGICGGZOGANSKK-UONOGXRCSA-N 2 0 350.467 0.735 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C3(C[NH+](C)C)CC3)n2)O1 ZINC001130802182 849046148 /nfs/dbraw/zinc/04/61/48/849046148.db2.gz GRTALQYQXDPSSD-QWHCGFSZSA-N 2 0 350.467 0.592 20 0 FCADRP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130812787 849046989 /nfs/dbraw/zinc/04/69/89/849046989.db2.gz AHNGLULCLORMTE-QWHCGFSZSA-N 2 0 356.446 0.542 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130817449 849048390 /nfs/dbraw/zinc/04/83/90/849048390.db2.gz OHHDCVYOQSRUSQ-RWMBFGLXSA-N 2 0 354.430 0.152 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061486 849075836 /nfs/dbraw/zinc/07/58/36/849075836.db2.gz FSVNBZCWBCITII-BZUAXINKSA-N 2 0 351.495 0.417 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131316102 849095754 /nfs/dbraw/zinc/09/57/54/849095754.db2.gz BKTCOQUYQBBIHD-OAGGEKHMSA-N 2 0 352.479 0.843 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CC2)CC1 ZINC001131593028 849128746 /nfs/dbraw/zinc/12/87/46/849128746.db2.gz IYAIASFNBMETNL-MJGOQNOKSA-N 2 0 353.507 0.960 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126452 849175929 /nfs/dbraw/zinc/17/59/29/849175929.db2.gz RHZHITMQTJFJSW-CVEARBPZSA-N 2 0 353.488 0.082 20 0 FCADRP C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551185 849270910 /nfs/dbraw/zinc/27/09/10/849270910.db2.gz BCDWYGINLIZJTK-WNRNVDISSA-N 2 0 352.523 0.316 20 0 FCADRP CS(=O)(=O)c1nc2c(c(NC[C@@]3(F)CCCC[NH2+]C3)n1)CC[NH2+]CC2 ZINC001155115541 849831558 /nfs/dbraw/zinc/83/15/58/849831558.db2.gz QWKDEQBFDKNNIX-MRXNPFEDSA-N 2 0 371.482 0.462 20 0 FCADRP CCCCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277777724 862070475 /nfs/dbraw/zinc/07/04/75/862070475.db2.gz GYKKBIOZPHBSLW-SJORKVTESA-N 2 0 355.523 0.944 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ncnc2c1CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001157095131 849946099 /nfs/dbraw/zinc/94/60/99/849946099.db2.gz GTNQGPWKGQMKGU-GFCCVEGCSA-N 2 0 360.443 0.075 20 0 FCADRP O=S(=O)(c1ccccn1)N(c1ccc2c(n1)CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001157096285 849946334 /nfs/dbraw/zinc/94/63/34/849946334.db2.gz SPUOGLOQERCSQW-AWEZNQCLSA-N 2 0 359.455 0.680 20 0 FCADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccsc1)C(=O)N1CCCC1 ZINC001157369458 849967251 /nfs/dbraw/zinc/96/72/51/849967251.db2.gz UBLVYXRSSXIUTR-GJZGRUSLSA-N 2 0 352.504 0.854 20 0 FCADRP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001157626981 849985878 /nfs/dbraw/zinc/98/58/78/849985878.db2.gz KQAWWENEKZQXGP-MJGOQNOKSA-N 2 0 350.507 0.289 20 0 FCADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157844092 849999078 /nfs/dbraw/zinc/99/90/78/849999078.db2.gz UZAKLAGQXWXVGF-UGUYLWEFSA-N 3 0 353.511 0.020 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCN(c3cccc(S(N)(=O)=O)n3)CC2)CC1 ZINC001157847977 849999755 /nfs/dbraw/zinc/99/97/55/849999755.db2.gz LJXRGOGEUKSDGP-UHFFFAOYSA-N 2 0 353.492 0.193 20 0 FCADRP CN(Cc1ncccc1C(F)(F)F)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157989249 850010234 /nfs/dbraw/zinc/01/02/34/850010234.db2.gz NUHUVLBLVLAMCL-CYBMUJFWSA-N 2 0 359.396 0.809 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158076333 850016153 /nfs/dbraw/zinc/01/61/53/850016153.db2.gz FAMRFRJYPMHWDE-OAHLLOKOSA-N 2 0 353.463 0.228 20 0 FCADRP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158283049 850033745 /nfs/dbraw/zinc/03/37/45/850033745.db2.gz ZOOIGQUYMYRLDG-JQHSSLGASA-N 2 0 355.523 0.990 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001158283022 850034124 /nfs/dbraw/zinc/03/41/24/850034124.db2.gz ZHKHPMAILHRMSJ-JQHSSLGASA-N 2 0 353.507 0.866 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CCC[NH2+]C)C2 ZINC001158380537 850042348 /nfs/dbraw/zinc/04/23/48/850042348.db2.gz FBIPNNWRNPTAMK-ZIAGYGMSSA-N 2 0 351.369 0.530 20 0 FCADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)C2 ZINC001158383573 850043266 /nfs/dbraw/zinc/04/32/66/850043266.db2.gz QWWLUFCUXCHBEN-CJYSPXJISA-N 2 0 361.364 0.282 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001158389410 850045847 /nfs/dbraw/zinc/04/58/47/850045847.db2.gz CWYCSGOSMVQCQX-ZIAGYGMSSA-N 2 0 350.467 0.103 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001158404192 850047681 /nfs/dbraw/zinc/04/76/81/850047681.db2.gz ROXQCSDIQBENDU-JKSUJKDBSA-N 2 0 350.463 0.722 20 0 FCADRP C[C@]1(C[NH3+])CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001158673376 850067695 /nfs/dbraw/zinc/06/76/95/850067695.db2.gz JMWXEJNYCNADAA-MRXNPFEDSA-N 2 0 353.492 0.134 20 0 FCADRP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001158782552 850075620 /nfs/dbraw/zinc/07/56/20/850075620.db2.gz UZMPVEDKVGIGAB-GFCCVEGCSA-N 2 0 367.519 0.619 20 0 FCADRP CC(C)n1nc(CN(C(=O)[C@@H](N)C[NH3+])c2nccs2)c2c1C[NH2+]CC2 ZINC001159103387 850097613 /nfs/dbraw/zinc/09/76/13/850097613.db2.gz PENRPLIVCMHWCD-LBPRGKRZSA-N 2 0 363.491 0.385 20 0 FCADRP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001159696721 850130496 /nfs/dbraw/zinc/13/04/96/850130496.db2.gz LFNDGCULJSMLAS-DOMZBBRYSA-N 2 0 367.519 0.732 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819200 850137991 /nfs/dbraw/zinc/13/79/91/850137991.db2.gz VWRKNJXJLCNCOM-UKRRQHHQSA-N 2 0 352.479 0.119 20 0 FCADRP O=C(N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159832070 850139138 /nfs/dbraw/zinc/13/91/38/850139138.db2.gz AZXTVSANBQYEAU-FSZRXZPDSA-N 2 0 361.515 0.517 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834658 850139522 /nfs/dbraw/zinc/13/95/22/850139522.db2.gz WFYDWUSVLOLVDT-GVRJEKJASA-N 2 0 361.515 0.516 20 0 FCADRP COc1ccc(CN(C)C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(OC)c1 ZINC001160675632 850191403 /nfs/dbraw/zinc/19/14/03/850191403.db2.gz HZTWJILQWJKODC-MRXNPFEDSA-N 2 0 350.463 0.413 20 0 FCADRP CCc1noc([C@H]2CCCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)n1 ZINC001160741687 850196518 /nfs/dbraw/zinc/19/65/18/850196518.db2.gz JKHWITPPPAIOPT-JSGCOSHPSA-N 2 0 350.467 0.088 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001160834127 850201488 /nfs/dbraw/zinc/20/14/88/850201488.db2.gz XKAWQUBSTPPTPQ-NSHDSACASA-N 2 0 360.384 0.064 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160941428 850214604 /nfs/dbraw/zinc/21/46/04/850214604.db2.gz RSLUGFFLOWLBNL-INIZCTEOSA-N 2 0 364.515 0.309 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC(F)(F)C1 ZINC001160971107 850216481 /nfs/dbraw/zinc/21/64/81/850216481.db2.gz FHTXBJMTDKPWEZ-GRDNDAEWSA-N 2 0 350.413 0.907 20 0 FCADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971494 850217098 /nfs/dbraw/zinc/21/70/98/850217098.db2.gz HMRKTSSTBUNSTA-IUCAKERBSA-N 2 0 360.327 0.357 20 0 FCADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051356 850225403 /nfs/dbraw/zinc/22/54/03/850225403.db2.gz UEUPISMVRPPINE-LSDHHAIUSA-N 2 0 357.520 0.342 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161062453 850227184 /nfs/dbraw/zinc/22/71/84/850227184.db2.gz KDBNIWSZSILRFF-UGUYLWEFSA-N 3 0 353.511 0.162 20 0 FCADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161153070 850234201 /nfs/dbraw/zinc/23/42/01/850234201.db2.gz XWUHPWBUZCSPFH-QWRGUYRKSA-N 2 0 358.368 0.127 20 0 FCADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152577 850234846 /nfs/dbraw/zinc/23/48/46/850234846.db2.gz NIJHMPDWFGNBJO-QWRGUYRKSA-N 2 0 359.352 0.303 20 0 FCADRP C[C@@]1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161197718 850238907 /nfs/dbraw/zinc/23/89/07/850238907.db2.gz CTVBEEPWUOHMNO-LJQANCHMSA-N 2 0 352.523 0.537 20 0 FCADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161318110 850251699 /nfs/dbraw/zinc/25/16/99/850251699.db2.gz WDWZCKXEVVQDKI-AWEZNQCLSA-N 2 0 354.520 0.257 20 0 FCADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161355040 850252893 /nfs/dbraw/zinc/25/28/93/850252893.db2.gz WZUUZXQNOJZPOE-GJZGRUSLSA-N 2 0 364.471 0.569 20 0 FCADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387660 850256847 /nfs/dbraw/zinc/25/68/47/850256847.db2.gz DXYJQCPCJFHLBO-HUUCEWRRSA-N 2 0 355.479 0.759 20 0 FCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444061 850259834 /nfs/dbraw/zinc/25/98/34/850259834.db2.gz BAWIIDPADPACBT-FGTMMUONSA-N 3 0 351.539 0.203 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001161478698 850261894 /nfs/dbraw/zinc/26/18/94/850261894.db2.gz NTXRMJUMDFXLMO-HUUCEWRRSA-N 2 0 359.465 0.069 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCOc2ccc(Br)cc2C1 ZINC001161499928 850265411 /nfs/dbraw/zinc/26/54/11/850265411.db2.gz NFLAJURBMNLLBX-CYBMUJFWSA-N 2 0 366.259 0.979 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001161530439 850268961 /nfs/dbraw/zinc/26/89/61/850268961.db2.gz ZURVCSYQDIKWFT-OCCSQVGLSA-N 2 0 366.487 0.279 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])Nc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001163446122 850369447 /nfs/dbraw/zinc/36/94/47/850369447.db2.gz VWSBRDAODQOAHB-AWEZNQCLSA-N 2 0 350.467 0.511 20 0 FCADRP C[C@H]1CC[C@@H](C[NH3+])N(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164061953 850392712 /nfs/dbraw/zinc/39/27/12/850392712.db2.gz ICNUAMVBRFVBGG-RYUDHWBXSA-N 2 0 353.492 0.132 20 0 FCADRP C[C@@H]1CC[C@H](C[NH3+])N(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164061958 850393064 /nfs/dbraw/zinc/39/30/64/850393064.db2.gz ICNUAMVBRFVBGG-VXGBXAGGSA-N 2 0 353.492 0.132 20 0 FCADRP COCCOCC[NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001165728871 850453564 /nfs/dbraw/zinc/45/35/64/850453564.db2.gz WKTHWONMCBZCRX-HZPDHXFCSA-N 2 0 357.495 0.245 20 0 FCADRP C[NH+]1CCN(C(=[NH2+])Nc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC001168735564 850591358 /nfs/dbraw/zinc/59/13/58/850591358.db2.gz STAZHWSJTURTEU-UHFFFAOYSA-N 2 0 366.369 0.342 20 0 FCADRP CC[NH+]1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(=O)(=O)CC)CC1 ZINC001169253745 850610369 /nfs/dbraw/zinc/61/03/69/850610369.db2.gz HJOALKYXIHSLGL-UAGQMJEPSA-N 2 0 359.536 0.889 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172282405 850709838 /nfs/dbraw/zinc/70/98/38/850709838.db2.gz AAUNQOQKJPJSKH-INIZCTEOSA-N 2 0 352.523 0.724 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522152 850725195 /nfs/dbraw/zinc/72/51/95/850725195.db2.gz XEIYOFHWANRSIR-GUYCJALGSA-N 2 0 359.467 0.883 20 0 FCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C(C)C)CC2)C[C@@H]1C(=O)OC ZINC001173567871 850728196 /nfs/dbraw/zinc/72/81/96/850728196.db2.gz LDEVAQHPPNFAFD-MUJYYYPQSA-N 2 0 355.479 0.343 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)c1cnccc1C(F)(F)F ZINC001177751093 850867334 /nfs/dbraw/zinc/86/73/34/850867334.db2.gz CJLZXEYJEBGXIH-UHFFFAOYSA-N 2 0 360.340 0.291 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@]1(F)C[C@@H]1C(=O)OCc1ccccc1 ZINC001178874795 850936485 /nfs/dbraw/zinc/93/64/85/850936485.db2.gz TXNUOQBLEDDEGW-DYVFJYSZSA-N 2 0 350.394 0.919 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@]1(F)C[C@H]1C(=O)OCc1ccccc1 ZINC001178874798 850936655 /nfs/dbraw/zinc/93/66/55/850936655.db2.gz TXNUOQBLEDDEGW-SUMWQHHRSA-N 2 0 350.394 0.919 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(NC(=O)OC(C)(C)C)COC1 ZINC001181521114 851117958 /nfs/dbraw/zinc/11/79/58/851117958.db2.gz VLQISJISGIPZML-UHFFFAOYSA-N 2 0 357.455 0.344 20 0 FCADRP CO[C@@H](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181566400 851121912 /nfs/dbraw/zinc/12/19/12/851121912.db2.gz PBQIAKXOZBWHEM-HNNXBMFYSA-N 2 0 354.495 0.108 20 0 FCADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC=CO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278141257 862210025 /nfs/dbraw/zinc/21/00/25/862210025.db2.gz UVULKNXYEJUMFP-PKOBYXMFSA-N 2 0 350.507 0.897 20 0 FCADRP C[NH+]1CCC(O)(C(=O)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001182031683 851146282 /nfs/dbraw/zinc/14/62/82/851146282.db2.gz OLFOGRMACTXBAS-OAHLLOKOSA-N 2 0 353.507 0.981 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182314337 851169242 /nfs/dbraw/zinc/16/92/42/851169242.db2.gz GSAGVIHPPLOVIW-INIZCTEOSA-N 2 0 353.488 0.954 20 0 FCADRP C[NH+](C)C1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001182601872 851183020 /nfs/dbraw/zinc/18/30/20/851183020.db2.gz OTVDPOGSUUXASF-UHFFFAOYSA-N 2 0 352.460 0.027 20 0 FCADRP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001182745529 851196609 /nfs/dbraw/zinc/19/66/09/851196609.db2.gz CLXKTSLSNUPGIO-AWEZNQCLSA-N 2 0 360.499 0.478 20 0 FCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC001184013825 851283693 /nfs/dbraw/zinc/28/36/93/851283693.db2.gz KJRVTCTYBOKYCQ-UHFFFAOYSA-N 2 0 369.491 0.664 20 0 FCADRP CC(C)(C)OC(=O)N1[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])COC1(C)C ZINC001184024753 851284365 /nfs/dbraw/zinc/28/43/65/851284365.db2.gz BRKLPKYCRQHJHR-NSHDSACASA-N 2 0 357.455 0.819 20 0 FCADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001188970380 851739382 /nfs/dbraw/zinc/73/93/82/851739382.db2.gz HLGNPBIZSRCUIS-DLBZAZTESA-N 2 0 350.507 0.873 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1n[nH]cc1I ZINC001189140453 851758140 /nfs/dbraw/zinc/75/81/40/851758140.db2.gz DFVKRTKCBULVRS-UHFFFAOYSA-N 2 0 350.164 0.089 20 0 FCADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189453353 851792755 /nfs/dbraw/zinc/79/27/55/851792755.db2.gz HELGYAAELMAIQU-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP O=C(N1CC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189802060 851826001 /nfs/dbraw/zinc/82/60/01/851826001.db2.gz QCXLWMIMHSPRGT-MELADBBJSA-N 2 0 361.408 0.928 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001189810858 851827074 /nfs/dbraw/zinc/82/70/74/851827074.db2.gz KALSWZLFSLNVDQ-OKZBNKHCSA-N 2 0 353.507 0.914 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913128 851839837 /nfs/dbraw/zinc/83/98/37/851839837.db2.gz MQFBTTPNCYZLNE-YQQAZPJKSA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325583 851891634 /nfs/dbraw/zinc/89/16/34/851891634.db2.gz ZUJDNKWGLTZITJ-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001193756985 852483155 /nfs/dbraw/zinc/48/31/55/852483155.db2.gz WVBVQRCNMQRVLG-RCCFBDPRSA-N 2 0 353.507 0.837 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289346 852573436 /nfs/dbraw/zinc/57/34/36/852573436.db2.gz KGGPITHYMWEABQ-IAGOWNOFSA-N 2 0 350.463 0.496 20 0 FCADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677449 852811889 /nfs/dbraw/zinc/81/18/89/852811889.db2.gz QJDMUXJSXCXVLU-ZIAGYGMSSA-N 2 0 352.504 0.497 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195709191 852816615 /nfs/dbraw/zinc/81/66/15/852816615.db2.gz XZYWBQVTNRWCPT-CHWSQXEVSA-N 2 0 355.401 0.459 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001196167091 852903598 /nfs/dbraw/zinc/90/35/98/852903598.db2.gz BMIUTCDIQRHKDU-DJIMGWMZSA-N 2 0 350.463 0.342 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169115 852904652 /nfs/dbraw/zinc/90/46/52/852904652.db2.gz OSLRDCNJXCVMIK-MGPQQGTHSA-N 2 0 367.412 0.601 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251990 852924940 /nfs/dbraw/zinc/92/49/40/852924940.db2.gz POTAHNCMRQBPIT-BRWVUGGUSA-N 2 0 357.495 0.075 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@H]2O)cn1 ZINC001196798815 853015141 /nfs/dbraw/zinc/01/51/41/853015141.db2.gz UTMPKAZSJFSWSM-HZPDHXFCSA-N 2 0 355.458 0.359 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197493239 853123039 /nfs/dbraw/zinc/12/30/39/853123039.db2.gz HKBAXQXZLOUZLL-CHWSQXEVSA-N 2 0 355.401 0.459 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644128 853144316 /nfs/dbraw/zinc/14/43/16/853144316.db2.gz IPWWXFYMQRNDTF-QZTJIDSGSA-N 2 0 353.507 0.696 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1O ZINC001197826437 853169164 /nfs/dbraw/zinc/16/91/64/853169164.db2.gz XEHQITDOJBQNNE-HZPDHXFCSA-N 2 0 355.504 0.420 20 0 FCADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197950381 853190967 /nfs/dbraw/zinc/19/09/67/853190967.db2.gz ZCEAKSLNYVMHCJ-IAGOWNOFSA-N 2 0 351.495 0.393 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1O ZINC001198029660 853208094 /nfs/dbraw/zinc/20/80/94/853208094.db2.gz UNGLESIAEOHVLM-IAGOWNOFSA-N 2 0 351.495 0.339 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199017413 853355054 /nfs/dbraw/zinc/35/50/54/853355054.db2.gz GODAFMGVUALMJN-KZNAEPCWSA-N 2 0 353.507 0.840 20 0 FCADRP Cc1ncsc1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199070996 853363714 /nfs/dbraw/zinc/36/37/14/853363714.db2.gz CDEGQFYPPMLXJF-HUUCEWRRSA-N 2 0 352.504 0.989 20 0 FCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccnc1I ZINC001199766619 853453958 /nfs/dbraw/zinc/45/39/58/853453958.db2.gz OGBJHRZTDIXONN-UHFFFAOYSA-N 2 0 361.187 0.761 20 0 FCADRP C[NH+](C)CCN1CCN(C(=S)NCC[NH+]2CCCCC2)CCC1=O ZINC001200431187 853497201 /nfs/dbraw/zinc/49/72/01/853497201.db2.gz UOTRMPWOBKBZPI-UHFFFAOYSA-N 2 0 355.552 0.443 20 0 FCADRP C[C@H](C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001200644938 853506844 /nfs/dbraw/zinc/50/68/44/853506844.db2.gz UEHZVNKGOSISLC-IIAWOOMASA-N 2 0 359.536 0.588 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)C(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001200651685 853507228 /nfs/dbraw/zinc/50/72/28/853507228.db2.gz HNGFSKDOZCKXBN-XOKHGSTOSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001201229653 853520591 /nfs/dbraw/zinc/52/05/91/853520591.db2.gz FLZLJOCXVSAHDL-SQWLQELKSA-N 2 0 354.495 0.201 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205516633 853619469 /nfs/dbraw/zinc/61/94/69/853619469.db2.gz NTBGYXIEGBVHBW-DLBZAZTESA-N 2 0 353.507 0.650 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205663443 853626167 /nfs/dbraw/zinc/62/61/67/853626167.db2.gz APIFXRBEKODXLH-GOEBONIOSA-N 2 0 350.438 0.537 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001207263612 853795370 /nfs/dbraw/zinc/79/53/70/853795370.db2.gz XNSNLUOGWFOWMW-QLFBSQMISA-N 2 0 357.474 0.128 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1 ZINC001207397673 853810113 /nfs/dbraw/zinc/81/01/13/853810113.db2.gz PDBRHACWRDDLBB-UHFFFAOYSA-N 2 0 359.536 0.702 20 0 FCADRP COC(=O)CC[N@H+](CCC[NH+](C)C)CC1CCN(S(C)(=O)=O)CC1 ZINC001207446533 853815068 /nfs/dbraw/zinc/81/50/68/853815068.db2.gz JQEQWEDYDDYKPA-UHFFFAOYSA-N 2 0 363.524 0.475 20 0 FCADRP CS(=O)(=O)N1CCC(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001207448603 853815272 /nfs/dbraw/zinc/81/52/72/853815272.db2.gz SHCYDBZTEVLFLB-UHFFFAOYSA-N 2 0 358.552 0.371 20 0 FCADRP COCCN1CCO[C@H]2C[N@H+](CCC3CC[NH+](C)CC3)CC[C@H]2C1=O ZINC001207483988 853818691 /nfs/dbraw/zinc/81/86/91/853818691.db2.gz MBGRUYDVNYAQQE-MSOLQXFVSA-N 2 0 353.507 0.914 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784417 853856699 /nfs/dbraw/zinc/85/66/99/853856699.db2.gz JLEHBADDHWPSTH-HYVNUMGLSA-N 2 0 350.463 0.352 20 0 FCADRP COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001208067700 853889443 /nfs/dbraw/zinc/88/94/43/853889443.db2.gz OXMDZSQIHDTILC-KSZLIROESA-N 2 0 353.507 0.960 20 0 FCADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001208101529 853894535 /nfs/dbraw/zinc/89/45/35/853894535.db2.gz SGYASROVHYGDCL-MRXNPFEDSA-N 2 0 356.511 0.802 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208599424 853958350 /nfs/dbraw/zinc/95/83/50/853958350.db2.gz HKQCALKGEMBROQ-FGTMMUONSA-N 2 0 351.491 0.666 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001208708248 853967515 /nfs/dbraw/zinc/96/75/15/853967515.db2.gz RXFKWAQUWJWFRB-KFWWJZLASA-N 2 0 362.540 0.045 20 0 FCADRP O=C([C@H]1C[C@@H]2[C@@H](CCN2CCC[NH+]2CCCCC2)O1)N1CCOCC1 ZINC001209451549 854028366 /nfs/dbraw/zinc/02/83/66/854028366.db2.gz IJVJZWOEBNRWCU-KZNAEPCWSA-N 2 0 351.491 0.953 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210033702 854072711 /nfs/dbraw/zinc/07/27/11/854072711.db2.gz WNDBRCJKSSVTGB-GDBMZVCRSA-N 2 0 359.536 0.590 20 0 FCADRP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315201 854099734 /nfs/dbraw/zinc/09/97/34/854099734.db2.gz MGKXYOQCYMSKRX-FRRDWIJNSA-N 2 0 355.401 0.314 20 0 FCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330289 854101816 /nfs/dbraw/zinc/10/18/16/854101816.db2.gz UUBKQDIVQQPVAK-OWCLPIDISA-N 2 0 350.507 0.774 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210416142 854108618 /nfs/dbraw/zinc/10/86/18/854108618.db2.gz IRDGZCIZAQJCAF-IXDOHACOSA-N 2 0 351.495 0.412 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001211047042 854150091 /nfs/dbraw/zinc/15/00/91/854150091.db2.gz YPHHWYFFJZWABY-JFIYKMOQSA-N 2 0 353.507 0.818 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001211369958 854183127 /nfs/dbraw/zinc/18/31/27/854183127.db2.gz VUKQTGHQFNEPBP-CHWSQXEVSA-N 2 0 366.428 0.832 20 0 FCADRP CO[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458745 854486214 /nfs/dbraw/zinc/48/62/14/854486214.db2.gz OSOVFGSQYVOJOQ-ARFHVFGLSA-N 2 0 359.486 0.908 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327715 854574750 /nfs/dbraw/zinc/57/47/50/854574750.db2.gz PTHPSLHUXZMUOU-DZJNRPSUSA-N 2 0 353.507 0.959 20 0 FCADRP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342205 854582506 /nfs/dbraw/zinc/58/25/06/854582506.db2.gz LTFNKLROUHSZHB-IAGOWNOFSA-N 2 0 353.507 0.960 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346265 854583915 /nfs/dbraw/zinc/58/39/15/854583915.db2.gz FHWWGBGKSHZMHC-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576339 854671957 /nfs/dbraw/zinc/67/19/57/854671957.db2.gz KLHHHFLIXJSLBM-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576337 854672250 /nfs/dbraw/zinc/67/22/50/854672250.db2.gz KLHHHFLIXJSLBM-BRWVUGGUSA-N 2 0 357.495 0.339 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC)C(C)C ZINC001213592779 854678566 /nfs/dbraw/zinc/67/85/66/854678566.db2.gz DTZOTMKAUPPRLW-ZACQAIPSSA-N 2 0 359.511 0.177 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213598771 854680733 /nfs/dbraw/zinc/68/07/33/854680733.db2.gz MUODIJHCCNXFFL-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213678124 854712479 /nfs/dbraw/zinc/71/24/79/854712479.db2.gz FTQYFXPFGDGWOY-GVDBMIGSSA-N 2 0 357.495 0.339 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929817 854831307 /nfs/dbraw/zinc/83/13/07/854831307.db2.gz MFOBQIPHUBWCKG-BRWVUGGUSA-N 2 0 357.495 0.338 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214335873 854927401 /nfs/dbraw/zinc/92/74/01/854927401.db2.gz LLEHOABCUURYNM-RBSFLKMASA-N 2 0 353.511 0.615 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214611149 854977427 /nfs/dbraw/zinc/97/74/27/854977427.db2.gz RAVIAVDLHFWZQB-DJIMGWMZSA-N 2 0 350.507 0.822 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214611150 854977697 /nfs/dbraw/zinc/97/76/97/854977697.db2.gz RAVIAVDLHFWZQB-OIISXLGYSA-N 2 0 350.507 0.822 20 0 FCADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663748 854988129 /nfs/dbraw/zinc/98/81/29/854988129.db2.gz AMCZGEMQGKUJNM-KLHDSHLOSA-N 2 0 374.551 0.093 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001214666253 854989223 /nfs/dbraw/zinc/98/92/23/854989223.db2.gz YBNHLOZVVHILRF-XLNGHYISSA-N 2 0 350.507 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001214667937 854989274 /nfs/dbraw/zinc/98/92/74/854989274.db2.gz IKMADCZCLWYMIT-QKPAOTATSA-N 2 0 374.551 0.093 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001214757286 855003601 /nfs/dbraw/zinc/00/36/01/855003601.db2.gz HGZXJMPRNVMCHZ-OWCLPIDISA-N 2 0 358.502 0.970 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214780033 855012062 /nfs/dbraw/zinc/01/20/62/855012062.db2.gz IMFIFWXXXPVDNU-BZUAXINKSA-N 2 0 359.536 0.732 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C2)C1 ZINC001214845228 855021201 /nfs/dbraw/zinc/02/12/01/855021201.db2.gz KMJSEBGQZXDIKG-IXDOHACOSA-N 2 0 352.523 0.925 20 0 FCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847614 855021878 /nfs/dbraw/zinc/02/18/78/855021878.db2.gz LOVOEIOUZAUXSZ-BRWVUGGUSA-N 2 0 355.523 0.941 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847301 855021978 /nfs/dbraw/zinc/02/19/78/855021978.db2.gz AHZILCKRWQBQKY-HUUCEWRRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847612 855022030 /nfs/dbraw/zinc/02/20/30/855022030.db2.gz LMXOHNULYMCCFT-GDBMZVCRSA-N 2 0 354.495 0.060 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214855522 855023108 /nfs/dbraw/zinc/02/31/08/855023108.db2.gz FCVIYYJMLLGRAW-HYVNUMGLSA-N 2 0 350.507 0.964 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1)[NH+](C)C ZINC001214952770 855038497 /nfs/dbraw/zinc/03/84/97/855038497.db2.gz LGSRPDUSJKXFMB-RBSFLKMASA-N 2 0 355.527 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214947634 855038586 /nfs/dbraw/zinc/03/85/86/855038586.db2.gz BXEQSCXWQKEVSM-HUUCEWRRSA-N 2 0 357.520 0.344 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968776 855041710 /nfs/dbraw/zinc/04/17/10/855041710.db2.gz BGOSPCIRBCMIDD-OAGGEKHMSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215414675 855111951 /nfs/dbraw/zinc/11/19/51/855111951.db2.gz ZSJOPIBAMOPUEK-GDBMZVCRSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001215416645 855112433 /nfs/dbraw/zinc/11/24/33/855112433.db2.gz VWPDICBLRXZYDR-OWCLPIDISA-N 2 0 350.507 0.681 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215539976 855126519 /nfs/dbraw/zinc/12/65/19/855126519.db2.gz FURRDBWGJRQMBC-HLLBOEOZSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215536421 855126604 /nfs/dbraw/zinc/12/66/04/855126604.db2.gz QXNQHOBNWLOIMR-HLLBOEOZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215558401 855127643 /nfs/dbraw/zinc/12/76/43/855127643.db2.gz RYAKTYXUKWSKLQ-IIAWOOMASA-N 2 0 350.507 0.822 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1)[NH+](C)C ZINC001215571284 855128866 /nfs/dbraw/zinc/12/88/66/855128866.db2.gz IVCWULWKOBJBJP-MCIONIFRSA-N 2 0 367.519 0.883 20 0 FCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090200 855169033 /nfs/dbraw/zinc/16/90/33/855169033.db2.gz CGMLXXRRGKWRIN-GDBMZVCRSA-N 2 0 354.495 0.012 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216217574 855180236 /nfs/dbraw/zinc/18/02/36/855180236.db2.gz ZMFVHSYQADLEDB-VXGBXAGGSA-N 2 0 352.401 0.443 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001216383834 855197817 /nfs/dbraw/zinc/19/78/17/855197817.db2.gz QUOXRBGVZFYWEL-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001216384108 855197831 /nfs/dbraw/zinc/19/78/31/855197831.db2.gz YDZKRYUKIXXPQK-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001216464303 855204540 /nfs/dbraw/zinc/20/45/40/855204540.db2.gz NZRIOBCQBXMXNX-HZPDHXFCSA-N 2 0 354.495 0.014 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216515947 855210753 /nfs/dbraw/zinc/21/07/53/855210753.db2.gz VPHXUGQMDRAJNG-CHWSQXEVSA-N 2 0 366.428 0.785 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216754018 855232826 /nfs/dbraw/zinc/23/28/26/855232826.db2.gz DQSOWNWQAFGBCT-RBSFLKMASA-N 2 0 357.520 0.199 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001216834719 855253828 /nfs/dbraw/zinc/25/38/28/855253828.db2.gz VGKWEYWEQVTRBV-BRWVUGGUSA-N 2 0 371.547 0.734 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001216844483 855256454 /nfs/dbraw/zinc/25/64/54/855256454.db2.gz COQIOZVETFJRCT-OAGGEKHMSA-N 2 0 359.536 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001216980853 855273791 /nfs/dbraw/zinc/27/37/91/855273791.db2.gz SFPOMLGNCZYZTJ-IAGOWNOFSA-N 2 0 350.507 0.921 20 0 FCADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218476793 855429444 /nfs/dbraw/zinc/42/94/44/855429444.db2.gz UKIZKLLDANBCDZ-SNVBAGLBSA-N 2 0 352.435 0.670 20 0 FCADRP CCOC(=O)c1c(C)nsc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218548461 855437364 /nfs/dbraw/zinc/43/73/64/855437364.db2.gz ZUZSCKSOLZKIRD-LLVKDONJSA-N 2 0 355.464 0.317 20 0 FCADRP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218549856 855437563 /nfs/dbraw/zinc/43/75/63/855437563.db2.gz XJVMHWALCQJZFO-JTQLQIEISA-N 2 0 370.475 0.940 20 0 FCADRP Cn1nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c2ccc(Cl)nc21 ZINC001218574387 855442550 /nfs/dbraw/zinc/44/25/50/855442550.db2.gz SQVQSJLXXSRIPP-NSHDSACASA-N 2 0 351.842 0.311 20 0 FCADRP COc1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1C(F)(F)F ZINC001218693093 855465372 /nfs/dbraw/zinc/46/53/72/855465372.db2.gz OELDPOXYIWKPQQ-GFCCVEGCSA-N 2 0 361.368 0.798 20 0 FCADRP NC(=O)c1cc(Br)ccc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218844396 855484513 /nfs/dbraw/zinc/48/45/13/855484513.db2.gz VRESWFQVCFNDSQ-GFCCVEGCSA-N 2 0 355.236 0.813 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CC[S@](C)=O)cc2)CC1 ZINC001218846073 855485600 /nfs/dbraw/zinc/48/56/00/855485600.db2.gz PPLXVHULVXHTCK-GKVSMKOHSA-N 2 0 366.531 0.859 20 0 FCADRP CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001218885166 855491272 /nfs/dbraw/zinc/49/12/72/855491272.db2.gz GEPPQHCIMWLELN-CYBMUJFWSA-N 2 0 372.491 0.730 20 0 FCADRP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219164398 855568458 /nfs/dbraw/zinc/56/84/58/855568458.db2.gz ZOVRWYJTCTYWCA-LLVKDONJSA-N 2 0 353.375 0.412 20 0 FCADRP C[C@@]1(C(=O)N(c2cccc(F)c2N)C2CC[NH2+]CC2)CC[NH2+]C[C@H]1O ZINC001219280214 855615442 /nfs/dbraw/zinc/61/54/42/855615442.db2.gz BHPKTCOUOSHOKL-CRAIPNDOSA-N 2 0 350.438 0.853 20 0 FCADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC001219616021 855735010 /nfs/dbraw/zinc/73/50/10/855735010.db2.gz MHNUVZHPQVRLFI-FUHWJXTLSA-N 2 0 350.438 0.472 20 0 FCADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634911 855746707 /nfs/dbraw/zinc/74/67/07/855746707.db2.gz KDNQDFOARNORNE-NXHRZFHOSA-N 2 0 353.507 0.839 20 0 FCADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219741753 855795022 /nfs/dbraw/zinc/79/50/22/855795022.db2.gz SSNJLECPPARRFT-GJYPPUQNSA-N 2 0 351.491 0.953 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc2c1CC[NH2+]C2 ZINC001219844741 855843452 /nfs/dbraw/zinc/84/34/52/855843452.db2.gz QKLONFNMJQDXRU-YVEFUNNKSA-N 2 0 351.472 0.519 20 0 FCADRP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877401 855857858 /nfs/dbraw/zinc/85/78/58/855857858.db2.gz DJPDOSZCDHZIIU-SJORKVTESA-N 2 0 355.523 0.942 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919713 855878716 /nfs/dbraw/zinc/87/87/16/855878716.db2.gz KGGPITHYMWEABQ-SJORKVTESA-N 2 0 350.463 0.496 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC[NH2+]C2CCCCC2)COC1(C)C ZINC001219954301 855895058 /nfs/dbraw/zinc/89/50/58/855895058.db2.gz FWHDOROMZQOZOH-ZFWWWQNUSA-N 2 0 354.495 0.726 20 0 FCADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CCC([NH3+])CC1 ZINC001220039944 855929471 /nfs/dbraw/zinc/92/94/71/855929471.db2.gz ZBQMJYHGJOTWBO-SUJUFDHTSA-N 2 0 352.479 0.036 20 0 FCADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220053580 855934745 /nfs/dbraw/zinc/93/47/45/855934745.db2.gz WJSSOUUOOWJJGH-XHSDSOJGSA-N 2 0 350.463 0.331 20 0 FCADRP C[NH2+]CCNC(=O)[C@H](c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC001220056128 855935648 /nfs/dbraw/zinc/93/56/48/855935648.db2.gz NZECNAIXNFHGCC-AWEZNQCLSA-N 2 0 355.280 0.731 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220064276 855940546 /nfs/dbraw/zinc/94/05/46/855940546.db2.gz YLSLOFCSDYXGNV-CABCVRRESA-N 2 0 356.511 0.626 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)COC1(C)C ZINC001220064032 855941080 /nfs/dbraw/zinc/94/10/80/855941080.db2.gz NTZIOSKSEYCCDU-KKUMJFAQSA-N 2 0 354.495 0.678 20 0 FCADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072376 855947114 /nfs/dbraw/zinc/94/71/14/855947114.db2.gz SHEGOMFUWBIPOH-BBWFWOEESA-N 2 0 355.523 0.821 20 0 FCADRP N=C(NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1)SCC[NH3+] ZINC001220106177 855963782 /nfs/dbraw/zinc/96/37/82/855963782.db2.gz DMHUTBBGWNKECN-GFCCVEGCSA-N 2 0 369.516 0.106 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc(F)n1 ZINC001220124623 855971975 /nfs/dbraw/zinc/97/19/75/855971975.db2.gz FHBXAURJFWZBKI-KBPBESRZSA-N 2 0 351.426 0.284 20 0 FCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001220160347 855988103 /nfs/dbraw/zinc/98/81/03/855988103.db2.gz YDJULALIJGJYHQ-KKUMJFAQSA-N 2 0 354.495 0.330 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220335913 856070850 /nfs/dbraw/zinc/07/08/50/856070850.db2.gz YJUHRCXJARGIMI-GJZGRUSLSA-N 2 0 356.511 0.482 20 0 FCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)O1 ZINC001220481696 856147638 /nfs/dbraw/zinc/14/76/38/856147638.db2.gz NSDCMLAETPCZCX-CBLPJQPBSA-N 2 0 353.385 0.758 20 0 FCADRP CCCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517163 856163760 /nfs/dbraw/zinc/16/37/60/856163760.db2.gz ZBUDEGVSVINBND-SJORKVTESA-N 2 0 351.495 0.800 20 0 FCADRP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001220519347 856164854 /nfs/dbraw/zinc/16/48/54/856164854.db2.gz KXRSFTADROCUMI-CQSZACIVSA-N 2 0 363.380 0.683 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC[NH2+]C1 ZINC001220521985 856165181 /nfs/dbraw/zinc/16/51/81/856165181.db2.gz WERVVGCRMAZURK-UGSOOPFHSA-N 2 0 351.447 0.462 20 0 FCADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606730 856202811 /nfs/dbraw/zinc/20/28/11/856202811.db2.gz CJSKAXQEFGPZEY-NWDGAFQWSA-N 2 0 358.236 0.846 20 0 FCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(Br)cc1 ZINC001220607745 856204071 /nfs/dbraw/zinc/20/40/71/856204071.db2.gz OLGONSDWZHHTGZ-QWHCGFSZSA-N 3 0 353.264 0.374 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)CC1 ZINC001220643208 856216443 /nfs/dbraw/zinc/21/64/43/856216443.db2.gz VEOSFVABIIUTHK-SJORKVTESA-N 2 0 353.507 0.695 20 0 FCADRP C[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC(C)(C)CC[NH3+] ZINC001220765797 856288337 /nfs/dbraw/zinc/28/83/37/856288337.db2.gz FLPITWWLUSZZDO-KGLIPLIRSA-N 2 0 358.527 0.762 20 0 FCADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790828 856302423 /nfs/dbraw/zinc/30/24/23/856302423.db2.gz UZTJFJSLBVMPIT-QLFBSQMISA-N 2 0 351.476 0.003 20 0 FCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CCC2(CC1)OCCO2 ZINC001220803001 856308111 /nfs/dbraw/zinc/30/81/11/856308111.db2.gz AXVJQRVBYYLPKX-QWRGUYRKSA-N 2 0 351.369 0.658 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220804789 856308859 /nfs/dbraw/zinc/30/88/59/856308859.db2.gz PNVLKUJFSHCOKZ-QWRGUYRKSA-N 2 0 358.368 0.156 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803348 856309668 /nfs/dbraw/zinc/30/96/68/856309668.db2.gz FFEGHWIJBWGLDW-BARDWOONSA-N 2 0 359.392 0.964 20 0 FCADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220807589 856310337 /nfs/dbraw/zinc/31/03/37/856310337.db2.gz YDHDJDYPXWEXGF-SJORKVTESA-N 2 0 351.495 0.339 20 0 FCADRP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903068 856366517 /nfs/dbraw/zinc/36/65/17/856366517.db2.gz KELYWJVYKDUBCC-ZDUSSCGKSA-N 2 0 358.830 0.135 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001220986220 856409069 /nfs/dbraw/zinc/40/90/69/856409069.db2.gz WSZVZIVJURNOHF-JQHSSLGASA-N 2 0 353.507 0.696 20 0 FCADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccc(F)cc1 ZINC001221060693 856440154 /nfs/dbraw/zinc/44/01/54/856440154.db2.gz KMFACZGHSOZTIW-OAHLLOKOSA-N 2 0 369.462 0.532 20 0 FCADRP CCC(CC)[C@@H](NC(=O)CCC[NH2+]C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067905 856446056 /nfs/dbraw/zinc/44/60/56/856446056.db2.gz OFYRMWHLMNIERB-IHWGESPNSA-N 2 0 357.495 0.404 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067726 856446601 /nfs/dbraw/zinc/44/66/01/856446601.db2.gz IDCTZVQSZLTFNR-NJVJYBDUSA-N 2 0 357.495 0.390 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081815 856454019 /nfs/dbraw/zinc/45/40/19/856454019.db2.gz UQAUNCYANHVTEK-HIEASXQVSA-N 2 0 353.507 0.839 20 0 FCADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091214 856457542 /nfs/dbraw/zinc/45/75/42/856457542.db2.gz GBLPIMHBVRQKKM-FGTMMUONSA-N 2 0 353.507 0.695 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCOc2c(F)cc(F)cc21 ZINC001221260089 856532432 /nfs/dbraw/zinc/53/24/32/856532432.db2.gz GVVYJSIPFNKJHA-GJZGRUSLSA-N 2 0 354.401 0.655 20 0 FCADRP [NH3+]CCCP(CCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC001221271841 856534951 /nfs/dbraw/zinc/53/49/51/856534951.db2.gz KTPRBRVHRIXOQR-CPFIQGLUSA-N 3 0 364.474 0.976 20 0 FCADRP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)(C)C[NH3+] ZINC001221394775 856557772 /nfs/dbraw/zinc/55/77/72/856557772.db2.gz HFDOXWDXUVVOAZ-GJZGRUSLSA-N 3 0 355.527 0.408 20 0 FCADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC001221404007 856559295 /nfs/dbraw/zinc/55/92/95/856559295.db2.gz FTDLALIFTBCTPU-VBNZEHGJSA-N 2 0 350.463 0.689 20 0 FCADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(Cl)cc1 ZINC001221414108 856560303 /nfs/dbraw/zinc/56/03/03/856560303.db2.gz SJEOTCNUSWVKEW-JYJNAYRXSA-N 2 0 355.866 0.798 20 0 FCADRP COCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001221644386 856636479 /nfs/dbraw/zinc/63/64/79/856636479.db2.gz HASMMXYHJIDBGQ-IAGOWNOFSA-N 2 0 353.507 0.914 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714238 856662329 /nfs/dbraw/zinc/66/23/29/856662329.db2.gz UORPIZYSDYNECM-IXDOHACOSA-N 2 0 353.507 0.791 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221791595 856685836 /nfs/dbraw/zinc/68/58/36/856685836.db2.gz UPYSFNIMNMNDNQ-HZSPNIEDSA-N 2 0 367.412 0.411 20 0 FCADRP O=C(N1C[C@H]2CC[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949900 856746050 /nfs/dbraw/zinc/74/60/50/856746050.db2.gz MFTLORWWQPUOMS-MGPQQGTHSA-N 2 0 361.408 0.928 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054258 856788371 /nfs/dbraw/zinc/78/83/71/856788371.db2.gz JEDZUFGRRHBRGP-FGTMMUONSA-N 2 0 355.523 0.893 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001223248007 856905515 /nfs/dbraw/zinc/90/55/15/856905515.db2.gz ATUFNKHVXKZFKV-RHSMWYFYSA-N 2 0 350.507 0.681 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505422 856922090 /nfs/dbraw/zinc/92/20/90/856922090.db2.gz BAIHDVIRVZUELX-ZACQAIPSSA-N 2 0 353.507 0.648 20 0 FCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522009 856923478 /nfs/dbraw/zinc/92/34/78/856923478.db2.gz KUZNTCYUKCXPOT-IKGGRYGDSA-N 2 0 355.523 0.894 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223911238 856950046 /nfs/dbraw/zinc/95/00/46/856950046.db2.gz BLAOBDGFDILADE-BBWFWOEESA-N 2 0 350.507 0.776 20 0 FCADRP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916435 856951130 /nfs/dbraw/zinc/95/11/30/856951130.db2.gz IDQLCUKRPVLIIE-SJORKVTESA-N 2 0 357.495 0.150 20 0 FCADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297588 857096136 /nfs/dbraw/zinc/09/61/36/857096136.db2.gz VZCCAJVWZMSKJV-ARFHVFGLSA-N 2 0 357.520 0.390 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001226333041 857097557 /nfs/dbraw/zinc/09/75/57/857097557.db2.gz FHAIMBUJBNEIND-KLHDSHLOSA-N 2 0 359.536 0.778 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001226831551 857127998 /nfs/dbraw/zinc/12/79/98/857127998.db2.gz SPDPBKWJNFEPIJ-KFWWJZLASA-N 2 0 350.463 0.293 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001227066024 857139363 /nfs/dbraw/zinc/13/93/63/857139363.db2.gz VRAMKQVQWAQEOO-RBSFLKMASA-N 2 0 354.495 0.236 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001228238299 857198029 /nfs/dbraw/zinc/19/80/29/857198029.db2.gz AIWMUPDNEJOLTD-ARFHVFGLSA-N 2 0 371.547 0.780 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001228255482 857198151 /nfs/dbraw/zinc/19/81/51/857198151.db2.gz XYRHAFGHIAAEJI-BRWVUGGUSA-N 2 0 351.495 0.603 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001228238952 857198494 /nfs/dbraw/zinc/19/84/94/857198494.db2.gz KRIAYEACNKLOOQ-MGPQQGTHSA-N 2 0 350.463 0.150 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001229388867 857267357 /nfs/dbraw/zinc/26/73/57/857267357.db2.gz JTFIPLBPJZLGCM-ARFHVFGLSA-N 2 0 354.495 0.378 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229504249 857272467 /nfs/dbraw/zinc/27/24/67/857272467.db2.gz SASKJDLDTCWWLQ-HZPDHXFCSA-N 2 0 354.495 0.204 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229495206 857272903 /nfs/dbraw/zinc/27/29/03/857272903.db2.gz CGBKEIDIBLESKW-BRWVUGGUSA-N 2 0 351.495 0.603 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229523780 857273254 /nfs/dbraw/zinc/27/32/54/857273254.db2.gz KFJFDKMINOSDLR-BZUAXINKSA-N 2 0 359.536 0.780 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229517244 857273582 /nfs/dbraw/zinc/27/35/82/857273582.db2.gz WQNOXOQDKXWYHD-HUUCEWRRSA-N 2 0 362.540 0.237 20 0 FCADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141467 857306872 /nfs/dbraw/zinc/30/68/72/857306872.db2.gz LZFKZBFSGMBCCS-HZPDHXFCSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC001230149343 857308395 /nfs/dbraw/zinc/30/83/95/857308395.db2.gz FCIZXMJICPINOJ-BZUAXINKSA-N 2 0 354.495 0.060 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@H]1[C@@H](C)CNCC1(F)F)C2 ZINC001235331745 857422124 /nfs/dbraw/zinc/42/21/24/857422124.db2.gz YCLQQFRRRNLAJM-CXKHLATESA-N 2 0 357.445 0.808 20 0 FCADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)C2 ZINC001235331748 857422446 /nfs/dbraw/zinc/42/24/46/857422446.db2.gz YCLQQFRRRNLAJM-RPCDLPGOSA-N 2 0 357.445 0.808 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCOC[C@@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC001235511503 857426632 /nfs/dbraw/zinc/42/66/32/857426632.db2.gz SGRWNWZLZLEISU-SFHVURJKSA-N 2 0 351.422 0.999 20 0 FCADRP [NH3+]CCCC[N@@H+]1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC001235628067 857430408 /nfs/dbraw/zinc/43/04/08/857430408.db2.gz DMUHCVPVQRQPJY-SFHVURJKSA-N 2 0 351.422 0.999 20 0 FCADRP Cc1nc(Br)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869205 857432118 /nfs/dbraw/zinc/43/21/18/857432118.db2.gz BXBYWSXZPJPSFN-UHFFFAOYSA-N 2 0 356.312 0.737 20 0 FCADRP FC(F)(F)COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235869827 857432179 /nfs/dbraw/zinc/43/21/79/857432179.db2.gz IWVPDTGYHXQFQS-UHFFFAOYSA-N 2 0 361.412 0.607 20 0 FCADRP Cn1nc(C(F)F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1Cl ZINC001235871219 857433443 /nfs/dbraw/zinc/43/34/43/857433443.db2.gz SFMPSXNATATHRZ-UHFFFAOYSA-N 2 0 350.845 0.596 20 0 FCADRP CC(C)Oc1ncccc1CCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309578 857437863 /nfs/dbraw/zinc/43/78/63/857437863.db2.gz NHECPZXPEIQBQO-UHFFFAOYSA-N 2 0 351.495 0.527 20 0 FCADRP CN(C)c1ccnc(Cl)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311308 857439041 /nfs/dbraw/zinc/43/90/41/857439041.db2.gz HBSARASMFFHCFD-UHFFFAOYSA-N 2 0 356.902 0.417 20 0 FCADRP COc1cc(C)cc(OC)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312053 857439755 /nfs/dbraw/zinc/43/97/55/857439755.db2.gz ZVDAQIIJFRMBNZ-UHFFFAOYSA-N 2 0 352.479 0.628 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(Cl)cn2ccnc12 ZINC001236316690 857440650 /nfs/dbraw/zinc/44/06/50/857440650.db2.gz UEAFWJGJLXQFPM-UHFFFAOYSA-N 2 0 352.870 0.604 20 0 FCADRP COc1ccc(CS(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001238242712 857465134 /nfs/dbraw/zinc/46/51/34/857465134.db2.gz PYMBGXIVYIUWPE-HNNXBMFYSA-N 2 0 353.488 0.989 20 0 FCADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc2nonc21 ZINC001238239566 857465250 /nfs/dbraw/zinc/46/52/50/857465250.db2.gz DQSBRNAEAFECEQ-LLVKDONJSA-N 2 0 351.432 0.375 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001238878760 857485845 /nfs/dbraw/zinc/48/58/45/857485845.db2.gz CRVQAVBGVJETNK-UHFFFAOYSA-N 2 0 361.855 0.873 20 0 FCADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001239076905 857505896 /nfs/dbraw/zinc/50/58/96/857505896.db2.gz HVXXLWGXKRPEEA-CALCHBBNSA-N 2 0 364.515 0.775 20 0 FCADRP O[C@H](CNc1cccnc1OC1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245959386 857561778 /nfs/dbraw/zinc/56/17/78/857561778.db2.gz MYODLKIPPZFSDP-AWEZNQCLSA-N 2 0 350.463 0.490 20 0 FCADRP CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977950 857562018 /nfs/dbraw/zinc/56/20/18/857562018.db2.gz YITJYFSEQCHSAJ-JCGIZDLHSA-N 2 0 356.438 0.866 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245999194 857562946 /nfs/dbraw/zinc/56/29/46/857562946.db2.gz ZKMREHXRBWEOBD-FJIDUMEYSA-N 3 0 355.429 0.696 20 0 FCADRP [NH3+]C[C@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC001246000909 857563212 /nfs/dbraw/zinc/56/32/12/857563212.db2.gz MNYOOLXGNOEZGB-CABCVRRESA-N 2 0 372.307 0.904 20 0 FCADRP O=C([C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1)N1CCSC1 ZINC001246139134 857569624 /nfs/dbraw/zinc/56/96/24/857569624.db2.gz RWKZKXLMIRPOCC-WBVHZDCISA-N 2 0 367.563 0.056 20 0 FCADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246199062 857570295 /nfs/dbraw/zinc/57/02/95/857570295.db2.gz HNUKAJQKPDYZLX-KMKWAALDSA-N 2 0 353.463 0.189 20 0 FCADRP O=C(C1CCOCC1)N1CCC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246366238 857575078 /nfs/dbraw/zinc/57/50/78/857575078.db2.gz NPGLPOYVYUOYON-KRWDZBQOSA-N 2 0 350.507 0.335 20 0 FCADRP CC[C@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC ZINC001246513758 857583767 /nfs/dbraw/zinc/58/37/67/857583767.db2.gz JQQURFMLTDHQEF-IHRRRGAJSA-N 2 0 356.515 0.283 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[C@@]3(C2)C[NH2+]CCC3(F)F)C[NH2+]1)N1CCSC1 ZINC001246636961 857587424 /nfs/dbraw/zinc/58/74/24/857587424.db2.gz HONNBSVUHJANJR-YDHLFZDLSA-N 2 0 360.474 0.571 20 0 FCADRP CCS(=O)(=O)N(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246741385 857595464 /nfs/dbraw/zinc/59/54/64/857595464.db2.gz RZEHCOCUIBYFSV-XUHSUICPSA-N 2 0 357.520 0.688 20 0 FCADRP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736020 857595744 /nfs/dbraw/zinc/59/57/44/857595744.db2.gz LZKMZHQLLGINSQ-NCOADZHNSA-N 2 0 350.507 0.190 20 0 FCADRP CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750344 857596958 /nfs/dbraw/zinc/59/69/58/857596958.db2.gz ULVOKBKNYGEWQD-VQIMIIECSA-N 2 0 350.507 0.430 20 0 FCADRP COCCN1CC2(CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)[C@@H](COC)C1=O ZINC001246747708 857597021 /nfs/dbraw/zinc/59/70/21/857597021.db2.gz MNMQSJANOJUXIP-ZACQAIPSSA-N 2 0 353.507 0.960 20 0 FCADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745368 857597560 /nfs/dbraw/zinc/59/75/60/857597560.db2.gz HGTQCYZLJOYIEI-BMFAXAFESA-N 2 0 351.491 0.999 20 0 FCADRP C[C@H]1CC[C@@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754166 857599002 /nfs/dbraw/zinc/59/90/02/857599002.db2.gz SSAMNRAJZUURBX-DLBZAZTESA-N 2 0 352.523 0.630 20 0 FCADRP COc1ccc(CN2CC[C@H](N(CC[NH3+])CC[NH3+])CC2=O)c(OC)c1 ZINC001246830049 857601939 /nfs/dbraw/zinc/60/19/39/857601939.db2.gz HWRWMIHFVYWCOG-HNNXBMFYSA-N 2 0 350.463 0.414 20 0 FCADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@H]2Cc2ccccc2)C[NH2+]1)N1CCSC1 ZINC001246832263 857601952 /nfs/dbraw/zinc/60/19/52/857601952.db2.gz FWLWAHRGHQSRLK-SQNIBIBYSA-N 2 0 360.527 0.766 20 0 FCADRP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246860194 857604644 /nfs/dbraw/zinc/60/46/44/857604644.db2.gz UIRCVXNOMFDWQC-FDQIELQPSA-N 2 0 351.491 0.964 20 0 FCADRP COc1cccc2c1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CO2 ZINC001246924746 857605553 /nfs/dbraw/zinc/60/55/53/857605553.db2.gz JISNASBICLYPIN-AWEZNQCLSA-N 2 0 350.463 0.115 20 0 FCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246926420 857606214 /nfs/dbraw/zinc/60/62/14/857606214.db2.gz SOSOSGYJQPXCLD-OAHLLOKOSA-N 2 0 354.445 0.938 20 0 FCADRP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246976363 857607944 /nfs/dbraw/zinc/60/79/44/857607944.db2.gz OHQSMRDXIZOHOQ-MXXDBUIKSA-N 3 0 350.507 0.556 20 0 FCADRP CC[C@@]1(C(=O)OC)C[C@@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CN1 ZINC001246985902 857609027 /nfs/dbraw/zinc/60/90/27/857609027.db2.gz AQWUJSKHTKUVLZ-MJGOQNOKSA-N 2 0 352.523 0.818 20 0 FCADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252058573 857781701 /nfs/dbraw/zinc/78/17/01/857781701.db2.gz DPVNOTVQZDANQG-MSOLQXFVSA-N 2 0 356.507 0.569 20 0 FCADRP C[N@@H+]1CCCN(CC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253167041 857868336 /nfs/dbraw/zinc/86/83/36/857868336.db2.gz DMVUYUAFAZGRLO-GOSISDBHSA-N 2 0 351.491 0.188 20 0 FCADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001253184334 857868846 /nfs/dbraw/zinc/86/88/46/857868846.db2.gz DXKFXPYUOUQILE-TVFCKZIOSA-N 2 0 355.523 0.798 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC2 ZINC001253390119 857885429 /nfs/dbraw/zinc/88/54/29/857885429.db2.gz JEDBGUAVZIETQA-OAHLLOKOSA-N 2 0 351.495 0.260 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254247804 857949476 /nfs/dbraw/zinc/94/94/76/857949476.db2.gz VGEWLVKYMWPDKH-OLZOCXBDSA-N 2 0 356.467 0.746 20 0 FCADRP COC(CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2)OC ZINC001279585637 862969062 /nfs/dbraw/zinc/96/90/62/862969062.db2.gz NIYNWMVCGXNOAS-XHSDSOJGSA-N 2 0 353.463 0.001 20 0 FCADRP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522731 857977304 /nfs/dbraw/zinc/97/73/04/857977304.db2.gz PPCHDHLJLNKVQX-HZMVEIRTSA-N 2 0 359.536 0.889 20 0 FCADRP O=S(=O)(c1ccccn1)N([C@@H]1CC[NH2+]C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254869785 857989188 /nfs/dbraw/zinc/98/91/88/857989188.db2.gz YGMNYXKYRHOBPN-HZPDHXFCSA-N 2 0 350.488 0.919 20 0 FCADRP C[N@@H+]1CC[C@@H](N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255432124 858010877 /nfs/dbraw/zinc/01/08/77/858010877.db2.gz PJLHIZUZGFLXIZ-BFYDXBDKSA-N 2 0 357.520 0.786 20 0 FCADRP Cn1cnc(S(=O)(=O)N2CC3(C2)CC[NH+](CC2CC[NH2+]CC2)CC3)c1 ZINC001279615578 862980870 /nfs/dbraw/zinc/98/08/70/862980870.db2.gz UPALFFSIKFMWLO-UHFFFAOYSA-N 2 0 367.519 0.506 20 0 FCADRP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326069 858067852 /nfs/dbraw/zinc/06/78/52/858067852.db2.gz IMHZPKIFLICWRN-KGLIPLIRSA-N 2 0 358.483 0.803 20 0 FCADRP C[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)OC(C)(C)C ZINC001256462366 858081450 /nfs/dbraw/zinc/08/14/50/858081450.db2.gz PPBDUWPYZBBVNQ-QWHCGFSZSA-N 2 0 360.459 0.912 20 0 FCADRP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CCC([NH+]2CCOCC2)CC1 ZINC001256680114 858095665 /nfs/dbraw/zinc/09/56/65/858095665.db2.gz YDHQNMOKZWWNEH-NRXISQOPSA-N 2 0 355.483 0.024 20 0 FCADRP CC(=O)N[C@@H](CCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256686729 858095682 /nfs/dbraw/zinc/09/56/82/858095682.db2.gz UAFCSDDIAULZDX-JCYILVPMSA-N 2 0 354.495 0.380 20 0 FCADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCOCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257600176 858154845 /nfs/dbraw/zinc/15/48/45/858154845.db2.gz JBVSBILMCWDOAS-KGLIPLIRSA-N 2 0 359.467 0.883 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H](N(CCC[NH3+])CCC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257723896 858157472 /nfs/dbraw/zinc/15/74/72/858157472.db2.gz JGGYYHZSECHXHE-BZUAXINKSA-N 2 0 357.495 0.720 20 0 FCADRP COCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279721735 863025031 /nfs/dbraw/zinc/02/50/31/863025031.db2.gz WVOKBDBIJNIBFN-OAHLLOKOSA-N 2 0 367.519 0.837 20 0 FCADRP CCOC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261320422 858517882 /nfs/dbraw/zinc/51/78/82/858517882.db2.gz BNISKLUTEKHDGB-INIZCTEOSA-N 2 0 356.511 0.213 20 0 FCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1(C)C ZINC001261474609 858561267 /nfs/dbraw/zinc/56/12/67/858561267.db2.gz GXISAOHSNYJUJB-JJRVBVJISA-N 2 0 350.467 0.433 20 0 FCADRP Cc1c(C(=O)NCC2([NH+](C)C)CCOCC2)nnn1C1CC[NH2+]CC1 ZINC001261500269 858570541 /nfs/dbraw/zinc/57/05/41/858570541.db2.gz MVGPGLVUVPJHFR-UHFFFAOYSA-N 2 0 350.467 0.352 20 0 FCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H]1C ZINC001261525296 858580121 /nfs/dbraw/zinc/58/01/21/858580121.db2.gz ZJHYQUMSIYYMRA-GGXPGOJBSA-N 2 0 350.507 0.905 20 0 FCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001262008473 858756600 /nfs/dbraw/zinc/75/66/00/858756600.db2.gz NJLZXYIJNBEKEO-SECBINFHSA-N 2 0 364.347 0.867 20 0 FCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001262035402 858763853 /nfs/dbraw/zinc/76/38/53/858763853.db2.gz ISWPDUWVLOQYOV-HNNXBMFYSA-N 2 0 371.528 0.936 20 0 FCADRP [NH3+][C@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046812 858765531 /nfs/dbraw/zinc/76/55/31/858765531.db2.gz ZEZZYAQWMYRVHC-ROUUACIJSA-N 2 0 352.523 0.807 20 0 FCADRP CC1([NH3+])CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001262099760 858779900 /nfs/dbraw/zinc/77/99/00/858779900.db2.gz XEYFDTFPGILMDI-INIZCTEOSA-N 2 0 353.511 0.306 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC001262214633 858821418 /nfs/dbraw/zinc/82/14/18/858821418.db2.gz WUEZHLOQUIVTLJ-OAHLLOKOSA-N 2 0 351.499 0.704 20 0 FCADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001262599341 859015822 /nfs/dbraw/zinc/01/58/22/859015822.db2.gz VSESGZVFYHKZKW-AWEZNQCLSA-N 2 0 351.495 0.500 20 0 FCADRP COc1cc(CNC(=O)[C@@H]2C[NH2+]CCN2C)ccc1OCC[NH+](C)C ZINC001263096173 859099338 /nfs/dbraw/zinc/09/93/38/859099338.db2.gz JKUQXLVYRJCVRX-HNNXBMFYSA-N 2 0 350.463 0.155 20 0 FCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001263129382 859108368 /nfs/dbraw/zinc/10/83/68/859108368.db2.gz KOABMBUQLHQFNR-IMJJTQAJSA-N 2 0 351.495 0.497 20 0 FCADRP COC[C@@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001264025675 859281155 /nfs/dbraw/zinc/28/11/55/859281155.db2.gz SCRLDGVMIXQYKO-YRGRVCCFSA-N 2 0 351.451 0.263 20 0 FCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001271138353 859903262 /nfs/dbraw/zinc/90/32/62/859903262.db2.gz DDNRIKMIDMPPOT-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCC(CC(=O)N2CC[N@H+](C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001273331789 860455902 /nfs/dbraw/zinc/45/59/02/860455902.db2.gz BLZIRPIHIHSXSZ-LJQANCHMSA-N 2 0 350.507 0.921 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001273453157 860494129 /nfs/dbraw/zinc/49/41/29/860494129.db2.gz HRALCINMALATLC-JKSUJKDBSA-N 2 0 350.507 0.587 20 0 FCADRP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001274204940 860706945 /nfs/dbraw/zinc/70/69/45/860706945.db2.gz ZGLIBSBHCYXOAX-UHFFFAOYSA-N 2 0 352.523 0.319 20 0 FCADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275063365 860926479 /nfs/dbraw/zinc/92/64/79/860926479.db2.gz KWWTZKNVAXLXCI-LJQANCHMSA-N 2 0 352.523 0.583 20 0 FCADRP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCN1C)CC2 ZINC001275175779 860978512 /nfs/dbraw/zinc/97/85/12/860978512.db2.gz DCLJLAJEJRJRLS-QGZVFWFLSA-N 2 0 351.539 0.108 20 0 FCADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001275511925 861117882 /nfs/dbraw/zinc/11/78/82/861117882.db2.gz OBRGFZQDBNGYRR-BZUAXINKSA-N 2 0 350.507 0.918 20 0 FCADRP CCNC(=O)CN1CCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001275556706 861127671 /nfs/dbraw/zinc/12/76/71/861127671.db2.gz OMIZGZNLVNZYPC-UHFFFAOYSA-N 2 0 350.507 0.779 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556887 861127698 /nfs/dbraw/zinc/12/76/98/861127698.db2.gz PRXOGOYOXHTVCM-LJQANCHMSA-N 2 0 350.507 0.777 20 0 FCADRP COCCOCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738284 861181506 /nfs/dbraw/zinc/18/15/06/861181506.db2.gz XUFMYQULPDEDND-GOSISDBHSA-N 2 0 355.479 0.157 20 0 FCADRP C[NH+]1CCC(CC[N@@H+]2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275750150 861189188 /nfs/dbraw/zinc/18/91/88/861189188.db2.gz FDMPZQKZVREBEU-IBGZPJMESA-N 2 0 351.491 0.668 20 0 FCADRP CN(C)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001279914657 863133988 /nfs/dbraw/zinc/13/39/88/863133988.db2.gz SUPZGJLXRTWHSE-MRXNPFEDSA-N 2 0 350.507 0.729 20 0 FCADRP C[NH+](C)CCNC(=S)N1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279975593 863161598 /nfs/dbraw/zinc/16/15/98/863161598.db2.gz LERRLHLAMRQCAL-CALCHBBNSA-N 2 0 364.563 0.963 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2CN(C(=S)NCC[NH+](C)C)C[C@H]2CC1 ZINC001279976180 863162748 /nfs/dbraw/zinc/16/27/48/863162748.db2.gz ZBKQZEIPFYQIQQ-IYBDPMFKSA-N 2 0 358.552 0.687 20 0 FCADRP COC[C@@H](C(=O)OC)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001280053682 863222404 /nfs/dbraw/zinc/22/24/04/863222404.db2.gz OHZRNOFTOVQBAV-INIZCTEOSA-N 2 0 350.463 0.859 20 0 FCADRP COC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280056979 863227892 /nfs/dbraw/zinc/22/78/92/863227892.db2.gz VUYLEUXMFXLECB-HZPDHXFCSA-N 2 0 352.523 0.485 20 0 FCADRP CN(C)C(=O)CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280137565 863289178 /nfs/dbraw/zinc/28/91/78/863289178.db2.gz KVUKBTGBFINDHL-APWZRJJASA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCCC2)CC[N@@H+]1C ZINC001285115988 864610343 /nfs/dbraw/zinc/61/03/43/864610343.db2.gz NUTJBYOAGSAAEQ-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001285934676 864657066 /nfs/dbraw/zinc/65/70/66/864657066.db2.gz OQYXUVAKOUXMQJ-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001289507430 865107831 /nfs/dbraw/zinc/10/78/31/865107831.db2.gz SJAACFMKSXFZIY-OWCLPIDISA-N 2 0 354.495 0.155 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C[NH2+]C3CC3)CC2)CC1 ZINC001349418940 866335492 /nfs/dbraw/zinc/33/54/92/866335492.db2.gz WVSNNYNEJQMXQE-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])C2CCCCC2)cn1 ZINC001349487545 866358695 /nfs/dbraw/zinc/35/86/95/866358695.db2.gz PHARTUAKHMZEHG-MRXNPFEDSA-N 2 0 350.467 0.407 20 0 FCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001350029589 866495069 /nfs/dbraw/zinc/49/50/69/866495069.db2.gz SUVODWFZALEONE-GJZGRUSLSA-N 2 0 352.479 0.134 20 0 FCADRP C[C@H]1COCCN1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001311894187 867127309 /nfs/dbraw/zinc/12/73/09/867127309.db2.gz URKBMUHKCTYDMX-GVDBMIGSSA-N 3 0 355.527 0.088 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001312009062 867133696 /nfs/dbraw/zinc/13/36/96/867133696.db2.gz FMWQIRCSVIESEA-KRWDZBQOSA-N 2 0 355.527 0.160 20 0 FCADRP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC001352839593 867270359 /nfs/dbraw/zinc/27/03/59/867270359.db2.gz PBJTYZCHFJJSFX-NSHDSACASA-N 2 0 354.405 0.966 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC001352850314 867275820 /nfs/dbraw/zinc/27/58/20/867275820.db2.gz QTHISHWZUOZRPP-PWSUYJOCSA-N 2 0 360.384 0.802 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@]2(C)CC(C)(C)OC2=O)C[C@H]1C[NH+](C)C ZINC001313423235 867277664 /nfs/dbraw/zinc/27/76/64/867277664.db2.gz SBGVLSNLOTXDGI-HBUWYVDXSA-N 2 0 354.495 0.851 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001353334630 867399908 /nfs/dbraw/zinc/39/99/08/867399908.db2.gz IYVULPBCCAYUOT-CABCVRRESA-N 2 0 354.495 0.332 20 0 FCADRP CCC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@@H+]1CCOC ZINC001354157353 867555949 /nfs/dbraw/zinc/55/59/49/867555949.db2.gz BNKJQTHMTXXJAZ-HZPDHXFCSA-N 2 0 354.495 0.143 20 0 FCADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CCCN1CC[NH+](C)CC1 ZINC001354317325 867580387 /nfs/dbraw/zinc/58/03/87/867580387.db2.gz WWAXSOLWFBDVTC-INIZCTEOSA-N 2 0 350.515 0.231 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CCCC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001319963437 868047299 /nfs/dbraw/zinc/04/72/99/868047299.db2.gz JFQGNPNVAHUJQW-IRXDYDNUSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCCC2)CC[N@@H+]1C ZINC001356937282 868061168 /nfs/dbraw/zinc/06/11/68/868061168.db2.gz DWTAFPYXMUOIPC-BZUAXINKSA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001357630275 868142168 /nfs/dbraw/zinc/14/21/68/868142168.db2.gz OXWLCMFTRNKTOH-RRFJBIMHSA-N 2 0 351.495 0.497 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001358607108 868238282 /nfs/dbraw/zinc/23/82/82/868238282.db2.gz YWXDMIQTYZDHRH-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001358666589 868243450 /nfs/dbraw/zinc/24/34/50/868243450.db2.gz YVWDVKGPWBUZGK-OAGGEKHMSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001323400589 869176761 /nfs/dbraw/zinc/17/67/61/869176761.db2.gz RGAYDHROBWNYPC-IRXDYDNUSA-N 2 0 350.507 0.966 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001325386492 869871716 /nfs/dbraw/zinc/87/17/16/869871716.db2.gz RGCFCRZINOAQFU-UKRRQHHQSA-N 2 0 354.495 0.548 20 0 FCADRP [NH3+]CCc1nc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1 ZINC001326307286 870249760 /nfs/dbraw/zinc/24/97/60/870249760.db2.gz XBZJSEUOQIZLRV-OLZOCXBDSA-N 2 0 365.503 0.365 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001343408118 870410899 /nfs/dbraw/zinc/41/08/99/870410899.db2.gz SVBZJTNCQNQYTN-UHFFFAOYSA-N 2 0 351.495 0.275 20 0 FCADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001326873991 870545977 /nfs/dbraw/zinc/54/59/77/870545977.db2.gz CYEZJKCEDISDPX-KXBFYZLASA-N 2 0 350.507 0.907 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC001326968838 870595318 /nfs/dbraw/zinc/59/53/18/870595318.db2.gz OKGSLTSCFLLYLU-INIZCTEOSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001326970477 870597622 /nfs/dbraw/zinc/59/76/22/870597622.db2.gz VSXPJJHHAHNSEH-QGZVFWFLSA-N 2 0 350.507 0.873 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC001343935156 870674660 /nfs/dbraw/zinc/67/46/60/870674660.db2.gz MEFIRSKZVIRQLC-BRWVUGGUSA-N 2 0 350.507 0.729 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327406714 870846865 /nfs/dbraw/zinc/84/68/65/870846865.db2.gz HCBUPWOKDXHSAW-KHYOSLBOSA-N 2 0 350.507 0.810 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327536988 870929797 /nfs/dbraw/zinc/92/97/97/870929797.db2.gz JHJHIEQGDBVOBL-UHFFFAOYSA-N 2 0 354.495 0.063 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC001344784718 871026836 /nfs/dbraw/zinc/02/68/36/871026836.db2.gz PPFUSMRWHSGJIS-HOTGVXAUSA-N 2 0 354.495 0.014 20 0 FCADRP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1)[NH+](C)C ZINC001345092830 871186193 /nfs/dbraw/zinc/18/61/93/871186193.db2.gz NPKOOOAJEBLTET-IXDOHACOSA-N 2 0 352.523 0.974 20 0 FCADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457406 871443946 /nfs/dbraw/zinc/44/39/46/871443946.db2.gz RILJTCGVJYFXIE-ROUUACIJSA-N 2 0 352.523 0.774 20 0 FCADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)nn1 ZINC001347156882 872191384 /nfs/dbraw/zinc/19/13/84/872191384.db2.gz FAWOCIMHOANGNZ-HNNXBMFYSA-N 2 0 350.467 0.344 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001330589949 872720976 /nfs/dbraw/zinc/72/09/76/872720976.db2.gz ZIHNURHTWUQLOX-ONGXEEELSA-N 2 0 358.393 0.328 20 0 FCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001330691798 872767927 /nfs/dbraw/zinc/76/79/27/872767927.db2.gz RSEVTBMRKAXRPB-HZPDHXFCSA-N 2 0 350.507 0.920 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H]1C(F)(F)F ZINC001331065853 872942944 /nfs/dbraw/zinc/94/29/44/872942944.db2.gz FVZJTCDEGIOYOV-GRYCIOLGSA-N 2 0 360.384 0.802 20 0 FCADRP CCN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001331904632 873297465 /nfs/dbraw/zinc/29/74/65/873297465.db2.gz HEQVSWGGXCPEPS-DLBZAZTESA-N 2 0 353.511 0.176 20 0 FCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001332994154 873751156 /nfs/dbraw/zinc/75/11/56/873751156.db2.gz ONCHBOBNKUECGZ-CQSZACIVSA-N 2 0 364.471 0.645 20 0 FCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333256953 873877888 /nfs/dbraw/zinc/87/78/88/873877888.db2.gz BUVVPUNTNMEFCF-AOIWGVFYSA-N 2 0 352.523 0.807 20 0 FCADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918210 948841845 /nfs/dbraw/zinc/84/18/45/948841845.db2.gz HIWCFTAYZFLXBG-AWEZNQCLSA-N 2 0 372.477 0.866 20 0 FCADRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574692934 949044835 /nfs/dbraw/zinc/04/48/35/949044835.db2.gz DMDCCPCIWXMZEZ-IUODEOHRSA-N 2 0 360.466 0.529 20 0 FCADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001574692933 949046752 /nfs/dbraw/zinc/04/67/52/949046752.db2.gz DMDCCPCIWXMZEZ-DOMZBBRYSA-N 2 0 360.466 0.529 20 0 FCADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708889 949500626 /nfs/dbraw/zinc/50/06/26/949500626.db2.gz XZGDTQORXZLCSS-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957204 949602514 /nfs/dbraw/zinc/60/25/14/949602514.db2.gz SMIPSXSDGIVFQW-JHJVBQTASA-N 2 0 358.450 0.543 20 0 FCADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574722280 949831610 /nfs/dbraw/zinc/83/16/10/949831610.db2.gz RPVSAXMGBQUBDR-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP CC1CC[NH+](CC(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576196432 950362522 /nfs/dbraw/zinc/36/25/22/950362522.db2.gz DHWUDPWEJSGDCH-UHFFFAOYSA-N 2 0 358.450 0.286 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196488 950367877 /nfs/dbraw/zinc/36/78/77/950367877.db2.gz FKCQUSKKIROLEW-STQMWFEESA-N 2 0 356.434 0.038 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576196748 950374387 /nfs/dbraw/zinc/37/43/87/950374387.db2.gz GWFDDPAPUUYWOT-AWEZNQCLSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205160 950495750 /nfs/dbraw/zinc/49/57/50/950495750.db2.gz VSXINZYMYZYGGB-LRDDRELGSA-N 2 0 370.461 0.332 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205316 950505416 /nfs/dbraw/zinc/50/54/16/950505416.db2.gz XBUASUBLEQMPJU-ZBFHGGJFSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205320 950505822 /nfs/dbraw/zinc/50/58/22/950505822.db2.gz XBVBSSKKWHHKNN-YOEHRIQHSA-N 2 0 369.473 0.899 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214273 950666401 /nfs/dbraw/zinc/66/64/01/950666401.db2.gz OEQZMADJEGBYRZ-UPJWGTAASA-N 2 0 356.434 0.085 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001571039979 951659025 /nfs/dbraw/zinc/65/90/25/951659025.db2.gz HXYUGNKWDKXPCD-INIZCTEOSA-N 2 0 367.457 0.653 20 0 FCADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079021 951687003 /nfs/dbraw/zinc/68/70/03/951687003.db2.gz ONVPYZVTYVLQDQ-LBPRGKRZSA-N 2 0 363.441 0.799 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[NH+](C)C ZINC001575091753 951782301 /nfs/dbraw/zinc/78/23/01/951782301.db2.gz XOGMANHZAZCJDN-GFCCVEGCSA-N 2 0 363.441 0.894 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[NH+](C)C ZINC001575098074 951818614 /nfs/dbraw/zinc/81/86/14/951818614.db2.gz ADQXTOBCGKYXQF-LLVKDONJSA-N 2 0 351.480 0.816 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575099590 951836928 /nfs/dbraw/zinc/83/69/28/951836928.db2.gz NLNRGDOTBUCDOB-DGCLKSJQSA-N 2 0 363.491 0.959 20 0 FCADRP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575110239 951937234 /nfs/dbraw/zinc/93/72/34/951937234.db2.gz YKKKCQSBZWCABD-XJKSGUPXSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113656 951943753 /nfs/dbraw/zinc/94/37/53/951943753.db2.gz CQZGVGILIMEELV-CQSZACIVSA-N 2 0 369.473 0.804 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571063166 951962375 /nfs/dbraw/zinc/96/23/75/951962375.db2.gz JLMIZGDOSYSERQ-PUJMQQBBSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077444 952118820 /nfs/dbraw/zinc/11/88/20/952118820.db2.gz AREKEDATLAXLBR-UONOGXRCSA-N 2 0 370.461 0.428 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000291970313 214068843 /nfs/dbraw/zinc/06/88/43/214068843.db2.gz YEMPZUYLRCVXOL-GOSISDBHSA-N 2 0 367.494 0.524 20 0 FCADRP CCn1nc(C)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000293429443 214173542 /nfs/dbraw/zinc/17/35/42/214173542.db2.gz NSCZHVNMNXIDHK-UHFFFAOYSA-N 2 0 357.462 0.944 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000294312234 214238137 /nfs/dbraw/zinc/23/81/37/214238137.db2.gz SXWHGLQHEXTLLL-QFBILLFUSA-N 2 0 361.486 0.490 20 0 FCADRP CSCC[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294621922 214256988 /nfs/dbraw/zinc/25/69/88/214256988.db2.gz RQZLGAXEDBDNET-INIZCTEOSA-N 2 0 352.504 0.824 20 0 FCADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC[NH+]3CCC(O)CC3)cc2)CC1 ZINC000296889922 214368931 /nfs/dbraw/zinc/36/89/31/214368931.db2.gz JRTWNSLFYSQMTG-UHFFFAOYSA-N 2 0 360.502 0.621 20 0 FCADRP CNC(=O)CC[NH+](C)Cc1cc(C[N@@H+](C)CCC(=O)NC)ccc1F ZINC000297068861 214377388 /nfs/dbraw/zinc/37/73/88/214377388.db2.gz JIYYQJNZLWHXGP-UHFFFAOYSA-N 2 0 352.454 0.962 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000413670666 529609653 /nfs/dbraw/zinc/60/96/53/529609653.db2.gz YOFUBWZYWQGJOW-ZNMIVQPWSA-N 2 0 358.552 0.727 20 0 FCADRP CC[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000413670665 529609679 /nfs/dbraw/zinc/60/96/79/529609679.db2.gz YOFUBWZYWQGJOW-RRFJBIMHSA-N 2 0 358.552 0.727 20 0 FCADRP CN1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000265671654 210194724 /nfs/dbraw/zinc/19/47/24/210194724.db2.gz GKZDEJMWJCRCGP-MRXNPFEDSA-N 2 0 360.462 0.124 20 0 FCADRP CN1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000265671651 210194793 /nfs/dbraw/zinc/19/47/93/210194793.db2.gz GKZDEJMWJCRCGP-INIZCTEOSA-N 2 0 360.462 0.124 20 0 FCADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000410729799 529831556 /nfs/dbraw/zinc/83/15/56/529831556.db2.gz KHZIXHMQUIJQFK-KSZLIROESA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731115 529861179 /nfs/dbraw/zinc/86/11/79/529861179.db2.gz ODVWOMPWLKLFFG-KSZLIROESA-N 2 0 362.518 0.872 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410492182 529900568 /nfs/dbraw/zinc/90/05/68/529900568.db2.gz XBFPTLAPCKRCCW-MRXNPFEDSA-N 2 0 366.506 0.110 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000265509017 210153080 /nfs/dbraw/zinc/15/30/80/210153080.db2.gz FMDBYFAZRNMNMF-HNNXBMFYSA-N 2 0 363.462 0.643 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)C2)CC1 ZINC000410930026 530050946 /nfs/dbraw/zinc/05/09/46/530050946.db2.gz PCIFMARFQJLUOU-MSOLQXFVSA-N 2 0 360.502 0.649 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)C2)CC1 ZINC000410965299 530051024 /nfs/dbraw/zinc/05/10/24/530051024.db2.gz BLKMKOWWRQSGIG-KSZLIROESA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CC[C@@H]21 ZINC000410720133 530058137 /nfs/dbraw/zinc/05/81/37/530058137.db2.gz QITMTGRJBMZODC-KSZLIROESA-N 2 0 362.518 0.873 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331521110 215008818 /nfs/dbraw/zinc/00/88/18/215008818.db2.gz VWGOWVAQHYKSIK-ZBFHGGJFSA-N 2 0 366.506 0.693 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507343 215008044 /nfs/dbraw/zinc/00/80/44/215008044.db2.gz UAWCBCOFUONYRS-GOEBONIOSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000331552722 215014889 /nfs/dbraw/zinc/01/48/89/215014889.db2.gz WZEKXZSBPLUTPH-ZJOBFFGXSA-N 2 0 354.520 0.126 20 0 FCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331649101 215029087 /nfs/dbraw/zinc/02/90/87/215029087.db2.gz QUSDALGFYDOMRC-JKSUJKDBSA-N 2 0 351.495 0.454 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)C2)CC1 ZINC000331709622 215037901 /nfs/dbraw/zinc/03/79/01/215037901.db2.gz YAQSPKSYUTVMLR-INIZCTEOSA-N 2 0 350.507 0.683 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000331801123 215048805 /nfs/dbraw/zinc/04/88/05/215048805.db2.gz QQWGRXPIAGOLAT-IXDOHACOSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000331796485 215047371 /nfs/dbraw/zinc/04/73/71/215047371.db2.gz LILHLCJLEOAHEG-IKGGRYGDSA-N 2 0 366.506 0.286 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1[NH3+] ZINC000331859549 215058772 /nfs/dbraw/zinc/05/87/72/215058772.db2.gz JSWZWNYFECTVLD-RDHHWEPZSA-N 2 0 350.507 0.951 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000331890992 215063289 /nfs/dbraw/zinc/06/32/89/215063289.db2.gz GNTZJMPUDFRTGM-LTIDMASMSA-N 2 0 350.507 0.809 20 0 FCADRP O=S1(=O)CCC(O)(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000332003338 215076927 /nfs/dbraw/zinc/07/69/27/215076927.db2.gz RMTROAVNRNWQRS-UHFFFAOYSA-N 2 0 374.547 0.751 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000332040958 215082491 /nfs/dbraw/zinc/08/24/91/215082491.db2.gz JMYUEOVUMDPPAC-ARFHVFGLSA-N 2 0 366.506 0.297 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000332098475 215093269 /nfs/dbraw/zinc/09/32/69/215093269.db2.gz XYEMBVVXKDKGQE-YQQAZPJKSA-N 2 0 366.506 0.332 20 0 FCADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[NH2+]1 ZINC000332078975 215089764 /nfs/dbraw/zinc/08/97/64/215089764.db2.gz HUUFSOQWGQMUDH-JKSUJKDBSA-N 2 0 366.506 0.081 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248955 215116046 /nfs/dbraw/zinc/11/60/46/215116046.db2.gz CBPMACIADSIEGK-YQQAZPJKSA-N 2 0 366.506 0.155 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332507647 215163585 /nfs/dbraw/zinc/16/35/85/215163585.db2.gz TWRYVEVLHUJRQA-DOTOQJQBSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332624582 215191966 /nfs/dbraw/zinc/19/19/66/215191966.db2.gz RUYSBHZREWRLFJ-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332592759 215186341 /nfs/dbraw/zinc/18/63/41/215186341.db2.gz MIXMSDYVRRBAQT-RDJZCZTQSA-N 2 0 350.507 0.918 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332692311 215205028 /nfs/dbraw/zinc/20/50/28/215205028.db2.gz WQHKQHOTPYTPPK-HOTGVXAUSA-N 2 0 350.507 0.777 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C2)C1 ZINC000333318343 215262565 /nfs/dbraw/zinc/26/25/65/215262565.db2.gz MPNUTYZKFPSENW-SFHVURJKSA-N 2 0 359.478 0.836 20 0 FCADRP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000333664304 215306939 /nfs/dbraw/zinc/30/69/39/215306939.db2.gz BMTINEUZPAHQIN-NXOAAHMSSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000333694438 215308604 /nfs/dbraw/zinc/30/86/04/215308604.db2.gz QAYPXUBIOJAYDW-MSOLQXFVSA-N 2 0 372.517 0.987 20 0 FCADRP COCC1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000333673269 215307565 /nfs/dbraw/zinc/30/75/65/215307565.db2.gz NNKQSQGGORYMSG-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP C[C@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000333717704 215312803 /nfs/dbraw/zinc/31/28/03/215312803.db2.gz GEMBWADOTNLXGK-DOTOQJQBSA-N 2 0 360.506 0.960 20 0 FCADRP C[C@@H]1NC(=O)N(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803951 215319736 /nfs/dbraw/zinc/31/97/36/215319736.db2.gz DXASZPAVTMZASM-ZNMIVQPWSA-N 2 0 352.479 0.748 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333871749 215327864 /nfs/dbraw/zinc/32/78/64/215327864.db2.gz BVBHKTGXGHBNNK-IXDOHACOSA-N 2 0 365.522 0.570 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCCCC1 ZINC000333927529 215332592 /nfs/dbraw/zinc/33/25/92/215332592.db2.gz WMDMGOFOLWJILM-MRXNPFEDSA-N 2 0 365.522 0.857 20 0 FCADRP C[N@H+](CCCN1C(=O)CNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285469851 213345997 /nfs/dbraw/zinc/34/59/97/213345997.db2.gz NSGIFCCGSBWETQ-UHFFFAOYSA-N 2 0 373.501 0.678 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443027 213342572 /nfs/dbraw/zinc/34/25/72/213342572.db2.gz ZCLOGPUHKBPREQ-HOTGVXAUSA-N 2 0 359.474 0.943 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000285078109 213279348 /nfs/dbraw/zinc/27/93/48/213279348.db2.gz PGCJUCSKSABECQ-NVXWUHKLSA-N 2 0 358.486 0.976 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000284759965 213213929 /nfs/dbraw/zinc/21/39/29/213213929.db2.gz DBMPUCDHVSVVNO-UHFFFAOYSA-N 2 0 373.501 0.716 20 0 FCADRP CN(Cc1nccn1C)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000284715170 213203553 /nfs/dbraw/zinc/20/35/53/213203553.db2.gz XTYKNIBPCRRQTP-OAHLLOKOSA-N 2 0 361.421 0.937 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284137830 213082797 /nfs/dbraw/zinc/08/27/97/213082797.db2.gz DMLDUAGETINGGO-IAGOWNOFSA-N 2 0 362.474 0.913 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284040670 213062103 /nfs/dbraw/zinc/06/21/03/213062103.db2.gz JUYSTPKRPFPIMV-UHFFFAOYSA-N 2 0 364.490 0.401 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCn2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000283991965 213049721 /nfs/dbraw/zinc/04/97/21/213049721.db2.gz OQZSNZHJYGCXHZ-RDJZCZTQSA-N 2 0 355.442 0.779 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000366408947 215973391 /nfs/dbraw/zinc/97/33/91/215973391.db2.gz UMKNQETUKKBVDC-UHFFFAOYSA-N 2 0 374.466 0.358 20 0 FCADRP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030316 216065955 /nfs/dbraw/zinc/06/59/55/216065955.db2.gz PYLPXXVQDJZHCM-CVEARBPZSA-N 2 0 365.522 0.665 20 0 FCADRP COC(=O)[C@]1(C)C[NH+](CC(O)C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000367091954 216072453 /nfs/dbraw/zinc/07/24/53/216072453.db2.gz MMZFIUPWVHCZFE-TWKYDXJASA-N 2 0 370.490 0.609 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000246768433 209398888 /nfs/dbraw/zinc/39/88/88/209398888.db2.gz HZRHPKAUHSWLHJ-BRWVUGGUSA-N 2 0 365.522 0.807 20 0 FCADRP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000368198138 216214975 /nfs/dbraw/zinc/21/49/75/216214975.db2.gz KQQXJMDKTWUAGP-ZACQAIPSSA-N 2 0 353.507 0.933 20 0 FCADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000246616382 209391966 /nfs/dbraw/zinc/39/19/66/209391966.db2.gz LPBKXBMDIPOOKI-QWFCFKBJSA-N 2 0 369.550 0.891 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000246473618 209388985 /nfs/dbraw/zinc/38/89/85/209388985.db2.gz QWYCHFSYJIXPNG-YESZJQIVSA-N 2 0 350.507 0.872 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N1CCN(C)CC1 ZINC000245892636 209376573 /nfs/dbraw/zinc/37/65/73/209376573.db2.gz OSYJMGLISNNTEC-NZSAHSFTSA-N 2 0 360.502 0.374 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3CC[NH2+]CC3)c2)C1 ZINC000237914962 209360945 /nfs/dbraw/zinc/36/09/45/209360945.db2.gz BMRRROCBFIJYCY-GOSISDBHSA-N 2 0 358.486 1.000 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237946126 209360737 /nfs/dbraw/zinc/36/07/37/209360737.db2.gz FLXQHWVHEWUFLF-INIZCTEOSA-N 2 0 358.486 0.621 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000237178432 209348772 /nfs/dbraw/zinc/34/87/72/209348772.db2.gz LYQHSPWKIVXWLM-KRWDZBQOSA-N 2 0 358.486 0.984 20 0 FCADRP Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000359879321 223135301 /nfs/dbraw/zinc/13/53/01/223135301.db2.gz RSHLLHWDYGUWOT-UHFFFAOYSA-N 2 0 350.463 0.018 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368576529 216266494 /nfs/dbraw/zinc/26/64/94/216266494.db2.gz JOWQMZMHMLKCRF-KBAYOESNSA-N 2 0 358.486 0.963 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)CCC3)C[C@H]2C1 ZINC000192535445 209301473 /nfs/dbraw/zinc/30/14/73/209301473.db2.gz IZFFQTHLSAAFCE-WNKDZCFJSA-N 2 0 360.502 0.197 20 0 FCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1CC(C)(C)O ZINC000368704760 216285486 /nfs/dbraw/zinc/28/54/86/216285486.db2.gz UNBDIPBXQRHAFG-PMPSAXMXSA-N 2 0 354.495 0.336 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368992164 216330572 /nfs/dbraw/zinc/33/05/72/216330572.db2.gz MDGITJPZOZXKGZ-IRXDYDNUSA-N 2 0 365.522 0.809 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027357 216334589 /nfs/dbraw/zinc/33/45/89/216334589.db2.gz LQLAJICQPSUTOJ-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036873 216336758 /nfs/dbraw/zinc/33/67/58/216336758.db2.gz RTXRWNMEUNHEDJ-RDJZCZTQSA-N 2 0 350.507 0.872 20 0 FCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000369195301 216362377 /nfs/dbraw/zinc/36/23/77/216362377.db2.gz UGEHCWGMYCIDDO-UHFFFAOYSA-N 2 0 368.566 0.562 20 0 FCADRP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000369333353 216384916 /nfs/dbraw/zinc/38/49/16/216384916.db2.gz BMHXCJKPBYHPPG-MJGOQNOKSA-N 2 0 357.539 0.889 20 0 FCADRP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000369395120 216394852 /nfs/dbraw/zinc/39/48/52/216394852.db2.gz KUPGTBRZVUTSKZ-GOSISDBHSA-N 2 0 367.538 0.424 20 0 FCADRP CC(C)C[C@@H]1C(=O)NCCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000189846101 209260935 /nfs/dbraw/zinc/26/09/35/209260935.db2.gz IXRPMGIQFYKKMW-QGZVFWFLSA-N 2 0 373.501 0.967 20 0 FCADRP CC1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000277663698 212385516 /nfs/dbraw/zinc/38/55/16/212385516.db2.gz DDLHZQARXMNMPS-UHFFFAOYSA-N 2 0 373.501 0.968 20 0 FCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188797999 209238558 /nfs/dbraw/zinc/23/85/58/209238558.db2.gz SGHBRHUZOHFOJM-UHFFFAOYSA-N 2 0 355.446 0.132 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1 ZINC000187929012 209221206 /nfs/dbraw/zinc/22/12/06/209221206.db2.gz WBPJHNFYKSPWGX-DLBZAZTESA-N 2 0 360.458 0.319 20 0 FCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@H+](CC)CCO)cc1 ZINC000276358638 212218629 /nfs/dbraw/zinc/21/86/29/212218629.db2.gz LSJWBSSFAMYLRW-UHFFFAOYSA-N 2 0 364.490 0.897 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C)nc1 ZINC000276084275 212156159 /nfs/dbraw/zinc/15/61/59/212156159.db2.gz USIMHNMDEUSRNJ-MRXNPFEDSA-N 2 0 362.478 0.598 20 0 FCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000372399865 216877082 /nfs/dbraw/zinc/87/70/82/216877082.db2.gz WVIMTUCMNFPETM-YTQUADARSA-N 2 0 360.502 0.845 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000414725233 245314983 /nfs/dbraw/zinc/31/49/83/245314983.db2.gz HSHJZSJRWCENAB-UHFFFAOYSA-N 2 0 374.485 0.915 20 0 FCADRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737723 245319586 /nfs/dbraw/zinc/31/95/86/245319586.db2.gz OIULVSIMLWYGER-CABCVRRESA-N 2 0 352.504 0.844 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414777255 245321853 /nfs/dbraw/zinc/32/18/53/245321853.db2.gz OKQHRUFAAAFURQ-GOSISDBHSA-N 2 0 374.485 0.840 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000414851452 245323852 /nfs/dbraw/zinc/32/38/52/245323852.db2.gz JKJXJPSIRJHLLQ-PBHICJAKSA-N 2 0 362.474 0.854 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415126434 245349026 /nfs/dbraw/zinc/34/90/26/245349026.db2.gz MDDXYTWTEUKQHY-CQSZACIVSA-N 2 0 360.458 0.907 20 0 FCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCSC1 ZINC000414919213 245333044 /nfs/dbraw/zinc/33/30/44/245333044.db2.gz UJLLEEKSTXJCLI-GOSISDBHSA-N 2 0 362.499 0.824 20 0 FCADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000415284510 245377123 /nfs/dbraw/zinc/37/71/23/245377123.db2.gz PGJUMLDTEPGUSR-UHFFFAOYSA-N 2 0 362.499 0.648 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000415352236 245395622 /nfs/dbraw/zinc/39/56/22/245395622.db2.gz KBCDRTGXYAMRQZ-INIZCTEOSA-N 2 0 371.485 0.717 20 0 FCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076072 209157110 /nfs/dbraw/zinc/15/71/10/209157110.db2.gz LIMCNEXFEXBUOA-AEFFLSMTSA-N 2 0 352.523 0.772 20 0 FCADRP O[C@H](COCc1cccs1)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000375000391 217201798 /nfs/dbraw/zinc/20/17/98/217201798.db2.gz WIRNBTYQXZAJIQ-INIZCTEOSA-N 2 0 370.515 0.785 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000417013293 245664184 /nfs/dbraw/zinc/66/41/84/245664184.db2.gz BYXZYBDGKAYVBR-GOSISDBHSA-N 2 0 361.490 0.568 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418303265 245776487 /nfs/dbraw/zinc/77/64/87/245776487.db2.gz NBKCCJPLIMLLTF-AEFFLSMTSA-N 2 0 363.481 0.723 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCCN2CC[NH2+]CC2)o1 ZINC000418286641 245773117 /nfs/dbraw/zinc/77/31/17/245773117.db2.gz IDHZOIFHSIKCDG-UHFFFAOYSA-N 2 0 351.495 0.957 20 0 FCADRP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610176 245802919 /nfs/dbraw/zinc/80/29/19/245802919.db2.gz GNDZRYPELAZXET-OLZOCXBDSA-N 2 0 351.417 0.593 20 0 FCADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418608126 245803321 /nfs/dbraw/zinc/80/33/21/245803321.db2.gz DGVHHRBXTJOCEJ-OLZOCXBDSA-N 2 0 351.417 0.654 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000418672941 245815243 /nfs/dbraw/zinc/81/52/43/245815243.db2.gz UXOVTBBQBHSEGU-JWDQPFGJSA-N 2 0 351.495 0.402 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000376390049 217393193 /nfs/dbraw/zinc/39/31/93/217393193.db2.gz ZBYAJBJUPYHZFT-NPYXIHBLSA-N 2 0 351.491 0.760 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCO1 ZINC000419004028 245938968 /nfs/dbraw/zinc/93/89/68/245938968.db2.gz DWXZABMFPLWIRQ-GOSISDBHSA-N 2 0 374.485 0.475 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419162676 246025996 /nfs/dbraw/zinc/02/59/96/246025996.db2.gz HRXUFQVIFBUYAL-NVXWUHKLSA-N 2 0 362.474 0.105 20 0 FCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419130984 246007844 /nfs/dbraw/zinc/00/78/44/246007844.db2.gz BSHCHRBKPGSIFF-INIZCTEOSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419140780 246012972 /nfs/dbraw/zinc/01/29/72/246012972.db2.gz WCRYCHNVBNUPRX-BPQIPLTHSA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166569 246028105 /nfs/dbraw/zinc/02/81/05/246028105.db2.gz HLYNYKBLXIJNFY-SJLPKXTDSA-N 2 0 358.486 0.488 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419166896 246029768 /nfs/dbraw/zinc/02/97/68/246029768.db2.gz HZKLRNJRXMTCMF-APWZRJJASA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166924 246030088 /nfs/dbraw/zinc/03/00/88/246030088.db2.gz ICLRPPBDAHTIFL-BHIYHBOVSA-N 2 0 372.513 0.863 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419168452 246030255 /nfs/dbraw/zinc/03/02/55/246030255.db2.gz SHONQCRICQIKTJ-MSOLQXFVSA-N 2 0 374.485 0.262 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419166621 246030580 /nfs/dbraw/zinc/03/05/80/246030580.db2.gz HQXCFMJPPFKQAE-QZTJIDSGSA-N 2 0 358.486 0.535 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419166899 246030823 /nfs/dbraw/zinc/03/08/23/246030823.db2.gz HZKLRNJRXMTCMF-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169103 246030885 /nfs/dbraw/zinc/03/08/85/246030885.db2.gz UFLORPHMBYKQIV-WMZOPIPTSA-N 2 0 374.485 0.214 20 0 FCADRP NCC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419173222 246032892 /nfs/dbraw/zinc/03/28/92/246032892.db2.gz SIBKJNFLOXDBNC-HNNXBMFYSA-N 2 0 368.428 0.377 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1(C)C ZINC000419184378 246040757 /nfs/dbraw/zinc/04/07/57/246040757.db2.gz NPMYXUJAOLZMNG-INIZCTEOSA-N 2 0 367.538 0.152 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419191606 246043884 /nfs/dbraw/zinc/04/38/84/246043884.db2.gz OGKMQPKZAMWLOC-SFHVURJKSA-N 2 0 358.486 0.929 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419190052 246043890 /nfs/dbraw/zinc/04/38/90/246043890.db2.gz MIYFVKYNEFFASU-CQSZACIVSA-N 2 0 362.449 0.727 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419212223 246056299 /nfs/dbraw/zinc/05/62/99/246056299.db2.gz UKKVFGZNOLBSAN-RXVVDRJESA-N 2 0 370.497 0.979 20 0 FCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000419212616 246056545 /nfs/dbraw/zinc/05/65/45/246056545.db2.gz UWIVRXWFCQJPNQ-YLJYHZDGSA-N 2 0 358.486 0.965 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419216361 246058383 /nfs/dbraw/zinc/05/83/83/246058383.db2.gz PCSHRYMHQUDYFC-MRXNPFEDSA-N 2 0 362.474 0.454 20 0 FCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419216428 246058977 /nfs/dbraw/zinc/05/89/77/246058977.db2.gz PNSKAXJQBHYPEE-GOEBONIOSA-N 2 0 362.474 0.439 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419222307 246062781 /nfs/dbraw/zinc/06/27/81/246062781.db2.gz BMVLPABTBAUPOS-JLSDUUJJSA-N 2 0 358.486 0.867 20 0 FCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419227201 246065439 /nfs/dbraw/zinc/06/54/39/246065439.db2.gz JYAJEOPLKWAQQZ-IRXDYDNUSA-N 2 0 350.507 0.955 20 0 FCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419199407 246047799 /nfs/dbraw/zinc/04/77/99/246047799.db2.gz ZPXKLZCXJFNBRT-HDICACEKSA-N 2 0 370.497 0.753 20 0 FCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419198957 246048292 /nfs/dbraw/zinc/04/82/92/246048292.db2.gz DCLZQIUJGMEIJY-INIZCTEOSA-N 2 0 350.463 0.343 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000419202307 246051746 /nfs/dbraw/zinc/05/17/46/246051746.db2.gz GZTVIMRYUOBTEJ-GJZGRUSLSA-N 2 0 362.474 0.452 20 0 FCADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419274888 246084981 /nfs/dbraw/zinc/08/49/81/246084981.db2.gz YIRAGXVSXYODSO-OALUTQOASA-N 2 0 370.497 0.967 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419230423 246069141 /nfs/dbraw/zinc/06/91/41/246069141.db2.gz PWMVUUBGOGHFEN-ZTFGCOKTSA-N 2 0 358.486 0.867 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419235291 246070236 /nfs/dbraw/zinc/07/02/36/246070236.db2.gz YTBGYZWSCZNOPZ-BRSBDYLESA-N 2 0 362.518 0.871 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000419237946 246073224 /nfs/dbraw/zinc/07/32/24/246073224.db2.gz MIAKVTZWXQTHDC-JKSUJKDBSA-N 2 0 366.506 0.332 20 0 FCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000419266545 246079935 /nfs/dbraw/zinc/07/99/35/246079935.db2.gz GSHVNPNIIRTICS-QGZVFWFLSA-N 2 0 362.474 0.249 20 0 FCADRP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)nc1 ZINC000419303000 246091622 /nfs/dbraw/zinc/09/16/22/246091622.db2.gz RBMQZRIPNVTUMQ-HUUCEWRRSA-N 2 0 359.474 0.684 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000419317837 246097787 /nfs/dbraw/zinc/09/77/87/246097787.db2.gz NESUVVKSLSBHEQ-LGRHPFTQSA-N 2 0 374.460 0.820 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419367115 246120516 /nfs/dbraw/zinc/12/05/16/246120516.db2.gz CUYOQIXNOVJFHS-CVEARBPZSA-N 2 0 354.495 0.045 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000419370727 246122398 /nfs/dbraw/zinc/12/23/98/246122398.db2.gz HRRMIGNEDIXEMX-OAHLLOKOSA-N 2 0 358.486 0.270 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000419370743 246122841 /nfs/dbraw/zinc/12/28/41/246122841.db2.gz HSTDQBFYNPPTAI-FQEVSTJZSA-N 2 0 370.497 0.414 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)Cc2ccccc2C1 ZINC000419379243 246124362 /nfs/dbraw/zinc/12/43/62/246124362.db2.gz WFBLAYNRFGTMDM-UHFFFAOYSA-N 2 0 358.486 0.460 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377698 246125118 /nfs/dbraw/zinc/12/51/18/246125118.db2.gz UGOACRBWQGADHO-WMLDXEAASA-N 2 0 358.486 0.459 20 0 FCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCCN1CCc2ccccc2C1 ZINC000419387491 246127125 /nfs/dbraw/zinc/12/71/25/246127125.db2.gz FNCXVCMKQLAOSW-INIZCTEOSA-N 2 0 358.486 0.667 20 0 FCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419387208 246127544 /nfs/dbraw/zinc/12/75/44/246127544.db2.gz CKVBZQLASFTJNJ-ZBFHGGJFSA-N 2 0 364.515 0.431 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419385207 246127795 /nfs/dbraw/zinc/12/77/95/246127795.db2.gz ACUOAQUTZXENBU-SZMVWBNQSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000419412160 246147682 /nfs/dbraw/zinc/14/76/82/246147682.db2.gz QSVXKYDLVJIPJL-UHOFOFEASA-N 2 0 350.438 0.740 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCO1 ZINC000419417021 246148714 /nfs/dbraw/zinc/14/87/14/246148714.db2.gz HPROIHAXEHDVIT-QZTJIDSGSA-N 2 0 374.485 0.516 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399691 246134103 /nfs/dbraw/zinc/13/41/03/246134103.db2.gz KDJJWDOCCJWQFG-SZMVWBNQSA-N 2 0 374.485 0.199 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404618 246139906 /nfs/dbraw/zinc/13/99/06/246139906.db2.gz UDVDWCZNGREINA-JQHSSLGASA-N 2 0 358.486 0.963 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419408505 246141234 /nfs/dbraw/zinc/14/12/34/246141234.db2.gz LXWLXZDAFYEEPC-TWMKSMIVSA-N 2 0 350.507 0.539 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419427681 246158208 /nfs/dbraw/zinc/15/82/08/246158208.db2.gz SHJYZRFAJKBWMV-ZWKOTPCHSA-N 2 0 374.485 0.434 20 0 FCADRP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419418288 246152951 /nfs/dbraw/zinc/15/29/51/246152951.db2.gz YCBFBJNTPXUJIZ-ROUUACIJSA-N 2 0 374.485 0.044 20 0 FCADRP CC[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419418285 246153242 /nfs/dbraw/zinc/15/32/42/246153242.db2.gz YCBFBJNTPXUJIZ-QZTJIDSGSA-N 2 0 374.485 0.044 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419503270 246182576 /nfs/dbraw/zinc/18/25/76/246182576.db2.gz CWRBGFVUDHCSGZ-WIYYLYMNSA-N 2 0 370.497 0.837 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419506478 246185968 /nfs/dbraw/zinc/18/59/68/246185968.db2.gz MJQDFRQAXRMYRE-SOLBZPMBSA-N 2 0 358.486 0.834 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419521207 246190181 /nfs/dbraw/zinc/19/01/81/246190181.db2.gz JLSWESOGAKWPAF-RRQGHBQHSA-N 2 0 364.465 0.925 20 0 FCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419474834 246176034 /nfs/dbraw/zinc/17/60/34/246176034.db2.gz CQCBFYVTEUTMOY-LPHOPBHVSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483583 246178170 /nfs/dbraw/zinc/17/81/70/246178170.db2.gz RZVHXNZBCCMZLD-HZPDHXFCSA-N 2 0 368.522 0.844 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419484724 246178662 /nfs/dbraw/zinc/17/86/62/246178662.db2.gz UKTOMFCCBIGLBH-BBWFWOEESA-N 2 0 368.522 0.437 20 0 FCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000419480965 246179305 /nfs/dbraw/zinc/17/93/05/246179305.db2.gz OJMLIGPOEISUNB-SJORKVTESA-N 2 0 350.507 0.683 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537303 246194946 /nfs/dbraw/zinc/19/49/46/246194946.db2.gz VRMGNXFSGFYZNA-MAUKXSAKSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@@H+]1C ZINC000419560568 246202381 /nfs/dbraw/zinc/20/23/81/246202381.db2.gz RGJDGLYDUZNOIH-VEMSKXMJSA-N 2 0 362.518 0.855 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419647814 246229478 /nfs/dbraw/zinc/22/94/78/246229478.db2.gz LSYHCUSBFFPMRZ-QANKJYHBSA-N 2 0 374.460 0.679 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000419651727 246230560 /nfs/dbraw/zinc/23/05/60/246230560.db2.gz DPVIYXNPLWQTKI-OAHLLOKOSA-N 2 0 362.474 0.106 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000419651725 246231867 /nfs/dbraw/zinc/23/18/67/246231867.db2.gz DPVIYXNPLWQTKI-HNNXBMFYSA-N 2 0 362.474 0.106 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419668764 246239139 /nfs/dbraw/zinc/23/91/39/246239139.db2.gz UTXMFMFPOWTMHO-HUUCEWRRSA-N 2 0 359.474 0.623 20 0 FCADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCCC1 ZINC000419670947 246239176 /nfs/dbraw/zinc/23/91/76/246239176.db2.gz XPXMJVFIHMAEIL-HRCADAONSA-N 2 0 350.507 0.729 20 0 FCADRP CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000419670309 246240074 /nfs/dbraw/zinc/24/00/74/246240074.db2.gz WSUSSNSDUICDQD-CABCVRRESA-N 2 0 354.495 0.189 20 0 FCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419674112 246240796 /nfs/dbraw/zinc/24/07/96/246240796.db2.gz JRMZWEULLRLZJN-INIZCTEOSA-N 2 0 366.506 0.254 20 0 FCADRP COc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc1OCC[NH+](C)C ZINC000419678274 246242812 /nfs/dbraw/zinc/24/28/12/246242812.db2.gz OABKOXKCLIPNKW-UHFFFAOYSA-N 2 0 366.462 0.594 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419687322 246249674 /nfs/dbraw/zinc/24/96/74/246249674.db2.gz DOLLNDBWDZSIMX-CABCVRRESA-N 2 0 368.547 0.660 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419687804 246250392 /nfs/dbraw/zinc/25/03/92/246250392.db2.gz QBQXQTLGJOYJDK-HZPDHXFCSA-N 2 0 366.506 0.476 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[NH2+]C1 ZINC000419690156 246252361 /nfs/dbraw/zinc/25/23/61/246252361.db2.gz UWBULPAUGBXMHT-GOSISDBHSA-N 2 0 366.506 0.254 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419702404 246259026 /nfs/dbraw/zinc/25/90/26/246259026.db2.gz BSSGBTLXCZOHDO-RDJZCZTQSA-N 2 0 362.474 0.118 20 0 FCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000419709810 246264360 /nfs/dbraw/zinc/26/43/60/246264360.db2.gz KMVJYPVCNXUBGP-MAUKXSAKSA-N 2 0 360.502 0.993 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CCCC2)CC1 ZINC000419748536 246281974 /nfs/dbraw/zinc/28/19/74/246281974.db2.gz FSBATTJREUXORQ-AWEZNQCLSA-N 2 0 354.495 0.237 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CCCC2)CC1 ZINC000419751490 246284813 /nfs/dbraw/zinc/28/48/13/246284813.db2.gz KGCXWJTZVSGGLE-INIZCTEOSA-N 2 0 366.506 0.380 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755723 246285261 /nfs/dbraw/zinc/28/52/61/246285261.db2.gz DVJOEAPUWXSLJP-ZBFHGGJFSA-N 2 0 350.438 0.617 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419759862 246289739 /nfs/dbraw/zinc/28/97/39/246289739.db2.gz YNTRPWZQODACKR-UHFFFAOYSA-N 2 0 368.522 0.642 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813870 246304031 /nfs/dbraw/zinc/30/40/31/246304031.db2.gz JTCVGIQVWPANTH-UONOGXRCSA-N 2 0 354.495 0.596 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000419813075 246304139 /nfs/dbraw/zinc/30/41/39/246304139.db2.gz JPGQUCFKLWNRMB-FUHWJXTLSA-N 2 0 374.485 0.817 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000419814006 246304297 /nfs/dbraw/zinc/30/42/97/246304297.db2.gz KBLXFTZGGXWUOK-INIZCTEOSA-N 2 0 366.506 0.478 20 0 FCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419820629 246305239 /nfs/dbraw/zinc/30/52/39/246305239.db2.gz OENHWWXFVDVBPE-CRAIPNDOSA-N 2 0 374.485 0.756 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419720067 246270725 /nfs/dbraw/zinc/27/07/25/246270725.db2.gz DMJIAAFVWZALDW-CVEARBPZSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419738639 246277607 /nfs/dbraw/zinc/27/76/07/246277607.db2.gz VDBZFEYMUPDUEO-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)CCCC2)CC1 ZINC000419748566 246280875 /nfs/dbraw/zinc/28/08/75/246280875.db2.gz FUZCQLCXTMBSNZ-OAHLLOKOSA-N 2 0 366.506 0.347 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000419872548 246339061 /nfs/dbraw/zinc/33/90/61/246339061.db2.gz YKCKGSIIXVRRCY-QGZVFWFLSA-N 2 0 374.485 0.325 20 0 FCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419837646 246312044 /nfs/dbraw/zinc/31/20/44/246312044.db2.gz WXBLKEPRVUNTOM-DLBZAZTESA-N 2 0 369.554 0.208 20 0 FCADRP CCN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419837750 246313088 /nfs/dbraw/zinc/31/30/88/246313088.db2.gz DMQJVHGSJVPLQX-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419843094 246315958 /nfs/dbraw/zinc/31/59/58/246315958.db2.gz WYAKYXACKCZOCF-GASCZTMLSA-N 2 0 354.495 0.189 20 0 FCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000419908553 246363945 /nfs/dbraw/zinc/36/39/45/246363945.db2.gz YQGIGBCKGAQRFU-ARFHVFGLSA-N 2 0 354.495 0.060 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000419912479 246366605 /nfs/dbraw/zinc/36/66/05/246366605.db2.gz LKDNYNGHNGCCJC-AQFXKWCLSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCC1C[NH2+]C1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000419922746 246370423 /nfs/dbraw/zinc/37/04/23/246370423.db2.gz KKFYKMXFNXNRCE-UHFFFAOYSA-N 2 0 358.486 0.489 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419920711 246371706 /nfs/dbraw/zinc/37/17/06/246371706.db2.gz XBSJUDFFCFDAMU-OAHLLOKOSA-N 2 0 364.465 0.832 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000419877319 246342991 /nfs/dbraw/zinc/34/29/91/246342991.db2.gz PWDOPZNGBZQSAZ-OWCLPIDISA-N 2 0 350.438 0.931 20 0 FCADRP COc1ccccc1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419879198 246345511 /nfs/dbraw/zinc/34/55/11/246345511.db2.gz RFCOLOASIDHTRH-DLBZAZTESA-N 2 0 374.485 0.726 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419889142 246351760 /nfs/dbraw/zinc/35/17/60/246351760.db2.gz GOLLUBIVSMBLQJ-MSOLQXFVSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419900128 246360806 /nfs/dbraw/zinc/36/08/06/246360806.db2.gz QKECJIZRPXIMFI-WMZOPIPTSA-N 2 0 358.486 0.978 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419946389 246380468 /nfs/dbraw/zinc/38/04/68/246380468.db2.gz AYYDNWAXIPZTPI-INIZCTEOSA-N 2 0 354.495 0.047 20 0 FCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000419966618 246393732 /nfs/dbraw/zinc/39/37/32/246393732.db2.gz YTOJQUNKIKTUAQ-GJZGRUSLSA-N 2 0 354.495 0.188 20 0 FCADRP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406157 246557869 /nfs/dbraw/zinc/55/78/69/246557869.db2.gz QEPXXNHQKYDYAU-HUUCEWRRSA-N 2 0 363.458 0.459 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)C1 ZINC000423367912 247013154 /nfs/dbraw/zinc/01/31/54/247013154.db2.gz AUGOAFROKDTVHJ-HLIPFELVSA-N 2 0 356.470 0.752 20 0 FCADRP C[C@H]1[NH2+]CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H]1C ZINC000423602968 247070345 /nfs/dbraw/zinc/07/03/45/247070345.db2.gz HRRAMPQCHZZCIE-HZPDHXFCSA-N 2 0 359.474 0.719 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000423432310 247025043 /nfs/dbraw/zinc/02/50/43/247025043.db2.gz BALCNWUYDJBIRT-YESZJQIVSA-N 2 0 366.506 0.014 20 0 FCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423442740 247027124 /nfs/dbraw/zinc/02/71/24/247027124.db2.gz ZNMQYAKJNKHCCA-ULQDDVLXSA-N 2 0 350.507 0.907 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000423467670 247033010 /nfs/dbraw/zinc/03/30/10/247033010.db2.gz BMYUFPWRAXJVAE-GASCZTMLSA-N 2 0 354.495 0.155 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000423482460 247034720 /nfs/dbraw/zinc/03/47/20/247034720.db2.gz XUJASBVSELQZRM-INIZCTEOSA-N 2 0 373.501 0.967 20 0 FCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423487832 247036226 /nfs/dbraw/zinc/03/62/26/247036226.db2.gz XUQGIHHVQSRZJL-SFHVURJKSA-N 2 0 358.486 0.789 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423496429 247037789 /nfs/dbraw/zinc/03/77/89/247037789.db2.gz DUBSGUIWWPHXOV-HOTGVXAUSA-N 2 0 366.506 0.156 20 0 FCADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CCN1CCOC ZINC000423515995 247039833 /nfs/dbraw/zinc/03/98/33/247039833.db2.gz AJPCXJPPPDPRED-ARFHVFGLSA-N 2 0 354.495 0.141 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000423696865 247112660 /nfs/dbraw/zinc/11/26/60/247112660.db2.gz MGWKYCQNGMACGL-XIRDDKMYSA-N 2 0 350.507 0.905 20 0 FCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423609926 247075223 /nfs/dbraw/zinc/07/52/23/247075223.db2.gz MFFFGSYPJNEVPB-KRWDZBQOSA-N 2 0 352.504 0.836 20 0 FCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423645252 247089010 /nfs/dbraw/zinc/08/90/10/247089010.db2.gz QHDFXGITEZGWLD-JYJNAYRXSA-N 2 0 366.506 0.155 20 0 FCADRP CCCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC000423644385 247091017 /nfs/dbraw/zinc/09/10/17/247091017.db2.gz DHYRAYCPBGNRRE-SJORKVTESA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423650692 247091597 /nfs/dbraw/zinc/09/15/97/247091597.db2.gz LSFIGPBULVUKFZ-GVDBMIGSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000423656142 247096598 /nfs/dbraw/zinc/09/65/98/247096598.db2.gz TZOANKHMQQFESS-JCCCHCCOSA-N 2 0 350.507 0.905 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000423658201 247097471 /nfs/dbraw/zinc/09/74/71/247097471.db2.gz XIXTXXKVOIJTGW-GJZGRUSLSA-N 2 0 354.495 0.155 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)C1 ZINC000423671828 247104977 /nfs/dbraw/zinc/10/49/77/247104977.db2.gz XEXOUJHCAXZNRY-FQEVSTJZSA-N 2 0 358.486 0.918 20 0 FCADRP COCC[C@]1(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC[NH2+]C1 ZINC000423758780 247140142 /nfs/dbraw/zinc/14/01/42/247140142.db2.gz NPVPGTLYOZDDCS-GOSISDBHSA-N 2 0 355.479 0.394 20 0 FCADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC000423709600 247118101 /nfs/dbraw/zinc/11/81/01/247118101.db2.gz WJFDOUMPFRYCNE-SQNIBIBYSA-N 2 0 351.491 0.842 20 0 FCADRP CN(C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C1(C[NH3+])CCC1 ZINC000423705835 247118446 /nfs/dbraw/zinc/11/84/46/247118446.db2.gz PMEFMJYQIMWXHK-HNNXBMFYSA-N 2 0 352.479 0.040 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000423710635 247119609 /nfs/dbraw/zinc/11/96/09/247119609.db2.gz QCRPIUROIZGCFR-UHFFFAOYSA-N 2 0 358.486 0.918 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423718949 247125089 /nfs/dbraw/zinc/12/50/89/247125089.db2.gz LZXMYIQTNQDSAM-OXQOHEQNSA-N 2 0 358.486 0.917 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@@H]1C[NH3+] ZINC000423722508 247126230 /nfs/dbraw/zinc/12/62/30/247126230.db2.gz FXBYIWWCNBSLDR-HYVNUMGLSA-N 2 0 350.507 0.763 20 0 FCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000423723879 247126712 /nfs/dbraw/zinc/12/67/12/247126712.db2.gz HSJXFQQSSIJQNY-OWCLPIDISA-N 2 0 359.536 0.719 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H]1C[NH3+] ZINC000423722513 247126950 /nfs/dbraw/zinc/12/69/50/247126950.db2.gz FXBYIWWCNBSLDR-PVAVHDDUSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@H]1C[NH3+] ZINC000423722511 247127079 /nfs/dbraw/zinc/12/70/79/247127079.db2.gz FXBYIWWCNBSLDR-OIISXLGYSA-N 2 0 350.507 0.763 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423730586 247130509 /nfs/dbraw/zinc/13/05/09/247130509.db2.gz LIVCPDJZLDTXJQ-GDBMZVCRSA-N 2 0 350.463 0.756 20 0 FCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@@H]1C[NH3+] ZINC000423741227 247134055 /nfs/dbraw/zinc/13/40/55/247134055.db2.gz SPQXJEKLNXTKEC-BRWVUGGUSA-N 2 0 366.506 0.143 20 0 FCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424340214 247197554 /nfs/dbraw/zinc/19/75/54/247197554.db2.gz XHQNQIGAUVCOLO-HZPDHXFCSA-N 2 0 368.503 0.242 20 0 FCADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000424138719 247171803 /nfs/dbraw/zinc/17/18/03/247171803.db2.gz UQRCVZCHYSNTFZ-MRXNPFEDSA-N 2 0 362.478 0.387 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424513206 247244890 /nfs/dbraw/zinc/24/48/90/247244890.db2.gz XEQMPFJTAUJKNK-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424518224 247248263 /nfs/dbraw/zinc/24/82/63/247248263.db2.gz HNWGYTJXOLYAFS-RCCFBDPRSA-N 2 0 356.470 0.573 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000424441531 247214981 /nfs/dbraw/zinc/21/49/81/247214981.db2.gz TWORDOJOGGRYPT-KRWDZBQOSA-N 2 0 362.474 0.865 20 0 FCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000424444666 247218348 /nfs/dbraw/zinc/21/83/48/247218348.db2.gz DEAJUOHATUVJLH-QGZVFWFLSA-N 2 0 362.474 0.961 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H]1C ZINC000425396793 247334840 /nfs/dbraw/zinc/33/48/40/247334840.db2.gz ZHYSHNSHOQTOBG-LTIDMASMSA-N 2 0 350.507 0.870 20 0 FCADRP O=C(NCC1CC[NH+](CCO)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426541725 247466423 /nfs/dbraw/zinc/46/64/23/247466423.db2.gz BXKVVNZKWDRTKX-ROUUACIJSA-N 2 0 368.522 0.368 20 0 FCADRP COc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000426899746 247485036 /nfs/dbraw/zinc/48/50/36/247485036.db2.gz XWXPHXHTFUTJFK-GASCZTMLSA-N 2 0 363.510 0.941 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CC1 ZINC000433144112 247844129 /nfs/dbraw/zinc/84/41/29/247844129.db2.gz KWJSOAQGMPZWGX-UHFFFAOYSA-N 2 0 374.485 0.880 20 0 FCADRP CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146065 247845437 /nfs/dbraw/zinc/84/54/37/247845437.db2.gz KBSPFDWKQQLMQX-ZFWWWQNUSA-N 2 0 360.524 0.024 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000439164492 248112422 /nfs/dbraw/zinc/11/24/22/248112422.db2.gz BTHAORWYFBNLIN-NVXWUHKLSA-N 2 0 368.522 0.483 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442605593 248293119 /nfs/dbraw/zinc/29/31/19/248293119.db2.gz DHPMYHIJHHDASE-KRWDZBQOSA-N 2 0 369.554 0.765 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179625 248349775 /nfs/dbraw/zinc/34/97/75/248349775.db2.gz ZTXZJCZAQHQQOK-LBTNJELSSA-N 2 0 354.495 0.223 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C1 ZINC000444261554 248353896 /nfs/dbraw/zinc/35/38/96/248353896.db2.gz FYCQJKQFPTXAJJ-AOIWGVFYSA-N 2 0 350.507 0.239 20 0 FCADRP Cn1nccc1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000446721151 248394827 /nfs/dbraw/zinc/39/48/27/248394827.db2.gz ZOJVRSHUQHFUQO-UHFFFAOYSA-N 2 0 371.445 0.082 20 0 FCADRP C[NH+]1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000270973644 211310109 /nfs/dbraw/zinc/31/01/09/211310109.db2.gz KENYMQUONPNKIA-CABCVRRESA-N 2 0 362.474 0.857 20 0 FCADRP NC(=O)c1csc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469862868 250009910 /nfs/dbraw/zinc/00/99/10/250009910.db2.gz BAUVFBUFYSVSRT-DOMZBBRYSA-N 2 0 350.488 0.927 20 0 FCADRP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000469990912 250018950 /nfs/dbraw/zinc/01/89/50/250018950.db2.gz KTZSLOOBHSFCFZ-MRXNPFEDSA-N 2 0 363.458 0.915 20 0 FCADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000471650805 250113935 /nfs/dbraw/zinc/11/39/35/250113935.db2.gz WYJQXIAMKMZPPQ-ROUUACIJSA-N 2 0 364.490 0.499 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278681 250142523 /nfs/dbraw/zinc/14/25/23/250142523.db2.gz OEFIPUOMKQLQFP-WMZOPIPTSA-N 2 0 368.522 0.498 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278679 250142886 /nfs/dbraw/zinc/14/28/86/250142886.db2.gz OEFIPUOMKQLQFP-FUHWJXTLSA-N 2 0 368.522 0.498 20 0 FCADRP CN(C)Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)no1 ZINC000472762758 250179306 /nfs/dbraw/zinc/17/93/06/250179306.db2.gz DQGXDOBAZNYVBZ-STQMWFEESA-N 2 0 364.425 0.812 20 0 FCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@@H](C)C1 ZINC000480818946 250285188 /nfs/dbraw/zinc/28/51/88/250285188.db2.gz GZRNLPCHLZCZLG-FUHWJXTLSA-N 2 0 354.539 0.923 20 0 FCADRP C[NH+](C)CC1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000481069735 250310681 /nfs/dbraw/zinc/31/06/81/250310681.db2.gz GENJPVBMBPVZHB-UHFFFAOYSA-N 2 0 362.474 0.441 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNc1ncc(Cl)c(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000269762365 211070199 /nfs/dbraw/zinc/07/01/99/211070199.db2.gz FHOYVEWDDBWNLY-HZPDHXFCSA-N 2 0 374.917 0.579 20 0 FCADRP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCN(C)CC1 ZINC000481697203 250349530 /nfs/dbraw/zinc/34/95/30/250349530.db2.gz PHWOLYJXRARBCK-WBVHZDCISA-N 2 0 357.568 0.606 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC[N@@H+]1C ZINC000947072218 674144767 /nfs/dbraw/zinc/14/47/67/674144767.db2.gz BPEIAZZKZBAEPD-KBRIMQKVSA-N 2 0 350.507 0.774 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+](C)C1 ZINC000413489059 532990936 /nfs/dbraw/zinc/99/09/36/532990936.db2.gz QXWBFZHCRNBGJW-HZPDHXFCSA-N 2 0 370.494 0.234 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413111562 532994416 /nfs/dbraw/zinc/99/44/16/532994416.db2.gz UGXCRVQSGTTZIY-OWCLPIDISA-N 2 0 354.495 0.853 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@H+](C)C1 ZINC000413052906 532995765 /nfs/dbraw/zinc/99/57/65/532995765.db2.gz IRRMZNYJPWUMCJ-HZPDHXFCSA-N 2 0 370.494 0.089 20 0 FCADRP C[NH+]1CCC(NC(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)n2)CC1 ZINC000054147774 208000952 /nfs/dbraw/zinc/00/09/52/208000952.db2.gz OZQLWIWQKMBSPS-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1=O ZINC000072998358 208044401 /nfs/dbraw/zinc/04/44/01/208044401.db2.gz JBFGGQIZGGOYOX-DOTOQJQBSA-N 2 0 364.465 0.955 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000105197313 208194085 /nfs/dbraw/zinc/19/40/85/208194085.db2.gz YARGPALXGTWNEP-UHFFFAOYSA-N 2 0 360.506 0.974 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000121364024 208401664 /nfs/dbraw/zinc/40/16/64/208401664.db2.gz RAMNWQIBAANGAS-GOSISDBHSA-N 2 0 352.479 0.739 20 0 FCADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000120780132 208390126 /nfs/dbraw/zinc/39/01/26/208390126.db2.gz YRGROOQQAJSFEV-IEBWSBKVSA-N 2 0 364.490 0.672 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000171657257 208887987 /nfs/dbraw/zinc/88/79/87/208887987.db2.gz KUPZKCHTMVJZGT-QGZVFWFLSA-N 2 0 367.465 0.955 20 0 FCADRP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)[C@@H]1CC[NH2+]C1 ZINC000178890648 209063363 /nfs/dbraw/zinc/06/33/63/209063363.db2.gz KAHNFBLAPBJNHT-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000247179588 533664155 /nfs/dbraw/zinc/66/41/55/533664155.db2.gz BHJVLWLNBCEWLJ-WBVHZDCISA-N 2 0 363.506 0.940 20 0 FCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186514025 229235705 /nfs/dbraw/zinc/23/57/05/229235705.db2.gz LLXNMQWTPVWELL-OALUTQOASA-N 2 0 361.486 0.457 20 0 FCADRP COCC[N@H+](CCOc1ccc(F)cc1)CCC(=O)N1CC[NH2+]CC1 ZINC000262251032 229301107 /nfs/dbraw/zinc/30/11/07/229301107.db2.gz WVHVECOWJYABBY-UHFFFAOYSA-N 2 0 353.438 0.975 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410428764 230074562 /nfs/dbraw/zinc/07/45/62/230074562.db2.gz APBONMJKCDRDHK-INIZCTEOSA-N 2 0 354.495 0.110 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410781318 230246539 /nfs/dbraw/zinc/24/65/39/230246539.db2.gz BSMXERTYRGSBHB-IRXDYDNUSA-N 2 0 350.507 0.729 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410779694 230247023 /nfs/dbraw/zinc/24/70/23/230247023.db2.gz MAMAKDWJFMJFOU-JKSUJKDBSA-N 2 0 350.507 0.872 20 0 FCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410956764 230326389 /nfs/dbraw/zinc/32/63/89/230326389.db2.gz ZKFQNWQPEUJCTQ-CVEARBPZSA-N 2 0 350.507 0.872 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000933851471 674277127 /nfs/dbraw/zinc/27/71/27/674277127.db2.gz YOIVCWMCKRRFIQ-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000934259883 674289320 /nfs/dbraw/zinc/28/93/20/674289320.db2.gz LCJAFAYKALBWQF-QZTJIDSGSA-N 2 0 352.523 0.506 20 0 FCADRP O=C(C(=O)N1CC[NH2+]CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000313009755 488895895 /nfs/dbraw/zinc/89/58/95/488895895.db2.gz OCPAVLZHUKTZLN-UHFFFAOYSA-N 2 0 370.497 0.933 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278968275 488907673 /nfs/dbraw/zinc/90/76/73/488907673.db2.gz IQYDEIFLMKVBEI-CZUORRHYSA-N 2 0 362.478 0.159 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364163019 488929853 /nfs/dbraw/zinc/92/98/53/488929853.db2.gz OITPGDCVDVWOLI-IRXDYDNUSA-N 2 0 356.511 0.849 20 0 FCADRP COC(=O)CNC(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364232365 488938900 /nfs/dbraw/zinc/93/89/00/488938900.db2.gz YUJWBXZJVQMXBU-HOTGVXAUSA-N 2 0 369.506 0.877 20 0 FCADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000364230927 488938927 /nfs/dbraw/zinc/93/89/27/488938927.db2.gz VAVNDNZHUCXVLQ-MRXNPFEDSA-N 2 0 353.511 0.176 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283029 488943588 /nfs/dbraw/zinc/94/35/88/488943588.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 2 0 367.538 0.517 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000569793451 491191671 /nfs/dbraw/zinc/19/16/71/491191671.db2.gz NLSDYNQBJXJQFE-HUUCEWRRSA-N 2 0 351.495 0.323 20 0 FCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816602 491192132 /nfs/dbraw/zinc/19/21/32/491192132.db2.gz VETIDWDFMNSQAO-CHWSQXEVSA-N 2 0 351.417 0.558 20 0 FCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000562823158 491193230 /nfs/dbraw/zinc/19/32/30/491193230.db2.gz SXJWNPSTYRNBAG-GJZGRUSLSA-N 2 0 352.866 0.912 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1F ZINC000562823584 491193350 /nfs/dbraw/zinc/19/33/50/491193350.db2.gz OBEBQPZMAQWUQE-AWEZNQCLSA-N 2 0 350.438 0.701 20 0 FCADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859802 488383209 /nfs/dbraw/zinc/38/32/09/488383209.db2.gz XDRFFVVCFPLESM-CQSZACIVSA-N 2 0 368.503 0.936 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601979 488385363 /nfs/dbraw/zinc/38/53/63/488385363.db2.gz KLDLYMDLFDBAHY-CRAIPNDOSA-N 2 0 358.486 0.963 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098365 488387382 /nfs/dbraw/zinc/38/73/82/488387382.db2.gz SBGRQLNPFSKSMZ-KURKYZTESA-N 2 0 367.538 0.422 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058196 488387487 /nfs/dbraw/zinc/38/74/87/488387487.db2.gz UTCMSSVFDBMSOO-SJORKVTESA-N 2 0 350.507 0.731 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1n[nH]cc1Br ZINC000077838050 488418907 /nfs/dbraw/zinc/41/89/07/488418907.db2.gz GRUWOMWEWGXEBV-UHFFFAOYSA-N 2 0 361.288 0.807 20 0 FCADRP COC(=O)CCN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000192790681 488423953 /nfs/dbraw/zinc/42/39/53/488423953.db2.gz SNMZXQGOKKMNIS-GOSISDBHSA-N 2 0 354.539 0.972 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000562865043 491197466 /nfs/dbraw/zinc/19/74/66/491197466.db2.gz BYXFXUKCFQMLAG-ZBFHGGJFSA-N 2 0 366.506 0.345 20 0 FCADRP CCNc1nc(NCC2([NH+](C)C)CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000562864470 491197557 /nfs/dbraw/zinc/19/75/57/491197557.db2.gz NXRQHILGDUKATD-UHFFFAOYSA-N 2 0 351.499 0.880 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cn1 ZINC000237171312 488454611 /nfs/dbraw/zinc/45/46/11/488454611.db2.gz ZWJCFAKOFCQRMX-GOSISDBHSA-N 2 0 370.457 0.386 20 0 FCADRP C[C@@H]1CN(Cc2ccccc2NC(=O)CN2CCNCC2=O)C[C@H](C)O1 ZINC000237624905 488456105 /nfs/dbraw/zinc/45/61/05/488456105.db2.gz QEBSHQHTSQOINZ-GASCZTMLSA-N 2 0 360.458 0.666 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000246126424 488469890 /nfs/dbraw/zinc/46/98/90/488469890.db2.gz LXYWBNLZOYGEPJ-FGTMMUONSA-N 2 0 370.538 0.689 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000246262174 488471349 /nfs/dbraw/zinc/47/13/49/488471349.db2.gz LCJUVKZBWAGKFH-VQTJNVASSA-N 2 0 374.529 0.982 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256434 488483397 /nfs/dbraw/zinc/48/33/97/488483397.db2.gz SLTVLRKYRSLZOU-NVXWUHKLSA-N 2 0 360.458 0.701 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000562934303 491201665 /nfs/dbraw/zinc/20/16/65/491201665.db2.gz IFLKMSVUEYALIL-FUHIMQAGSA-N 2 0 361.486 0.537 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C[N@@H+]1C1CC1 ZINC000247304818 488484452 /nfs/dbraw/zinc/48/44/52/488484452.db2.gz UZWIKQNTDGLANQ-BFYDXBDKSA-N 2 0 363.506 0.560 20 0 FCADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269279707 488486041 /nfs/dbraw/zinc/48/60/41/488486041.db2.gz ZYZVQFOUGGWQEI-DOTOQJQBSA-N 2 0 351.422 0.508 20 0 FCADRP C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)CO ZINC000248927138 488504630 /nfs/dbraw/zinc/50/46/30/488504630.db2.gz LUJNUXMAHRYKLW-IAGOWNOFSA-N 2 0 363.502 0.962 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104786752 488505769 /nfs/dbraw/zinc/50/57/69/488505769.db2.gz BYCRTXFPFRGCIW-INIZCTEOSA-N 2 0 367.538 0.993 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249091511 488506239 /nfs/dbraw/zinc/50/62/39/488506239.db2.gz HCXZXKNZVYUBAM-CVEARBPZSA-N 2 0 355.527 0.109 20 0 FCADRP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1 ZINC000569926678 491203996 /nfs/dbraw/zinc/20/39/96/491203996.db2.gz PILUMXHKOASGJU-IRXDYDNUSA-N 2 0 363.506 0.465 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)n1 ZINC000249731446 488513946 /nfs/dbraw/zinc/51/39/46/488513946.db2.gz AOLODKUJEQVPAD-HUUCEWRRSA-N 2 0 359.474 0.730 20 0 FCADRP C[NH+]1CCC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000249942416 488515479 /nfs/dbraw/zinc/51/54/79/488515479.db2.gz WVSFSQJYGPCHPD-IAGOWNOFSA-N 2 0 359.474 0.730 20 0 FCADRP CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369627 488517641 /nfs/dbraw/zinc/51/76/41/488517641.db2.gz NZSSSVIETZWVBP-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558695 488526302 /nfs/dbraw/zinc/52/63/02/488526302.db2.gz HVEDNUXFDMCBDI-QZTJIDSGSA-N 2 0 358.486 0.883 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000111493355 488529587 /nfs/dbraw/zinc/52/95/87/488529587.db2.gz WJJWLHYRXRQBPF-HOTGVXAUSA-N 2 0 353.511 0.747 20 0 FCADRP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261687033 488530867 /nfs/dbraw/zinc/53/08/67/488530867.db2.gz CYJRSVFWLVRKLS-HUUCEWRRSA-N 2 0 363.462 0.892 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261847634 488538697 /nfs/dbraw/zinc/53/86/97/488538697.db2.gz MDWASASEQYXCCZ-WBVHZDCISA-N 2 0 369.469 0.775 20 0 FCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261877238 488539413 /nfs/dbraw/zinc/53/94/13/488539413.db2.gz UGHNCRYMEPXGOX-DYVFJYSZSA-N 2 0 368.503 0.052 20 0 FCADRP O=C(CC[N@H+]1CCCN(C(=O)c2ccccc2F)CC1)N1CC[NH2+]CC1 ZINC000261955308 488543540 /nfs/dbraw/zinc/54/35/40/488543540.db2.gz AABOCHNPKFMPOH-UHFFFAOYSA-N 2 0 362.449 0.796 20 0 FCADRP C[C@@H]1CCC[C@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000262029787 488547008 /nfs/dbraw/zinc/54/70/08/488547008.db2.gz BIYCJHKTTKVGLV-ZBFHGGJFSA-N 2 0 359.536 0.780 20 0 FCADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262269853 488560445 /nfs/dbraw/zinc/56/04/45/488560445.db2.gz SGOHHUOFNZCBPC-BRWVUGGUSA-N 2 0 350.507 0.968 20 0 FCADRP COCCN1CCN(c2cc(N3CCN(CCOC)CC3)ncn2)CC1 ZINC000120932770 488563857 /nfs/dbraw/zinc/56/38/57/488563857.db2.gz IUVZTMRDWICSNV-UHFFFAOYSA-N 2 0 364.494 0.013 20 0 FCADRP CCOC(=O)C1CCC(O)(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000562988260 491206036 /nfs/dbraw/zinc/20/60/36/491206036.db2.gz VCXNHZGPAAXGFS-KOHRHEQBSA-N 2 0 369.506 0.648 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)C1 ZINC000262650706 488584681 /nfs/dbraw/zinc/58/46/81/488584681.db2.gz QVEXAQALJQBWKF-ZWKOTPCHSA-N 2 0 358.486 1.000 20 0 FCADRP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000262678296 488585895 /nfs/dbraw/zinc/58/58/95/488585895.db2.gz UNQOUAPSXLMMQL-RDTXWAMCSA-N 2 0 372.473 0.836 20 0 FCADRP CSCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262677662 488585924 /nfs/dbraw/zinc/58/59/24/488585924.db2.gz UEBWSOBURUPMOI-HNNXBMFYSA-N 2 0 352.504 0.675 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000124634312 488594626 /nfs/dbraw/zinc/59/46/26/488594626.db2.gz WPAWCPPJUCJVAF-AWEZNQCLSA-N 2 0 350.467 0.233 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262836288 488596288 /nfs/dbraw/zinc/59/62/88/488596288.db2.gz QUCYPSQNYBWWNS-KRWDZBQOSA-N 2 0 362.522 0.811 20 0 FCADRP CC(C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCN(C)CC1 ZINC000262889328 488598091 /nfs/dbraw/zinc/59/80/91/488598091.db2.gz ZZSSDYKYTGSAQT-WMZOPIPTSA-N 2 0 362.522 0.809 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272727812 488600958 /nfs/dbraw/zinc/60/09/58/488600958.db2.gz GMXRENOHDSKDNA-UHFFFAOYSA-N 2 0 367.498 0.055 20 0 FCADRP C[NH+](C)CCOc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccn1 ZINC000272728997 488601128 /nfs/dbraw/zinc/60/11/28/488601128.db2.gz ZHEPPNHCYXKKAC-OAHLLOKOSA-N 2 0 363.462 0.092 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000126383570 488608829 /nfs/dbraw/zinc/60/88/29/488608829.db2.gz HPLMMTVAHDAJDV-MRXNPFEDSA-N 2 0 351.495 0.989 20 0 FCADRP COC[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000563064037 491211982 /nfs/dbraw/zinc/21/19/82/491211982.db2.gz OTIDEGCZWOACBP-IBGZPJMESA-N 3 0 361.490 0.336 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563077665 491213388 /nfs/dbraw/zinc/21/33/88/491213388.db2.gz NFCPHUOPTBOSJA-NJAFHUGGSA-N 2 0 358.486 0.881 20 0 FCADRP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000131203537 488643657 /nfs/dbraw/zinc/64/36/57/488643657.db2.gz ZRBUSBCXBBTEEJ-NVXWUHKLSA-N 2 0 356.511 0.848 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000131200431 488643689 /nfs/dbraw/zinc/64/36/89/488643689.db2.gz ZFFKTQVESAAJDW-FUHWJXTLSA-N 2 0 365.449 0.980 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698452 488699698 /nfs/dbraw/zinc/69/96/98/488699698.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 0 359.518 0.978 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151596310 488707497 /nfs/dbraw/zinc/70/74/97/488707497.db2.gz GSLNYJZXVWJJLQ-UHFFFAOYSA-N 2 0 356.511 0.585 20 0 FCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000570077732 491214843 /nfs/dbraw/zinc/21/48/43/491214843.db2.gz OLCZKCVMAMXLNA-XMTFNYHQSA-N 2 0 362.518 0.777 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000152459128 488718132 /nfs/dbraw/zinc/71/81/32/488718132.db2.gz OKCZLEORWWWEDN-UHFFFAOYSA-N 2 0 370.538 0.974 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842945 488718251 /nfs/dbraw/zinc/71/82/51/488718251.db2.gz LJYGMUWIHYXKNG-IAGOWNOFSA-N 2 0 351.470 0.973 20 0 FCADRP COC(=O)[C@@H](NC(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C(C)C ZINC000570087601 491215450 /nfs/dbraw/zinc/21/54/50/491215450.db2.gz RXVVSAVSUSAKAG-BQFCYCMXSA-N 2 0 368.522 0.258 20 0 FCADRP COc1c(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(C)nn1C ZINC000153812055 488735398 /nfs/dbraw/zinc/73/53/98/488735398.db2.gz SYQVTZCMIIMYNC-UHFFFAOYSA-N 2 0 366.510 0.905 20 0 FCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000154795516 488747497 /nfs/dbraw/zinc/74/74/97/488747497.db2.gz CLCFEOZCYZLGOY-UHFFFAOYSA-N 2 0 361.490 0.393 20 0 FCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136975 488762477 /nfs/dbraw/zinc/76/24/77/488762477.db2.gz WKYHCTRHVDKVPZ-IKGGRYGDSA-N 2 0 360.506 0.834 20 0 FCADRP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000157288359 488770524 /nfs/dbraw/zinc/77/05/24/488770524.db2.gz ZTQMKAVDAIEQDY-DLBZAZTESA-N 2 0 362.474 0.592 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000171658002 488825549 /nfs/dbraw/zinc/82/55/49/488825549.db2.gz QBEAWIRAFPWOHI-GASCZTMLSA-N 2 0 354.495 0.012 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172159250 488830858 /nfs/dbraw/zinc/83/08/58/488830858.db2.gz OMBWBIPQQNCHOC-ZBFHGGJFSA-N 2 0 354.495 0.060 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969431 488852555 /nfs/dbraw/zinc/85/25/55/488852555.db2.gz LWWGJCWVLVBJBS-CQSZACIVSA-N 2 0 362.478 0.097 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000175728044 488855143 /nfs/dbraw/zinc/85/51/43/488855143.db2.gz CEUTXXUUCCQWGE-UHFFFAOYSA-N 2 0 350.467 0.773 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000176013661 488856881 /nfs/dbraw/zinc/85/68/81/488856881.db2.gz HTMXGOLJJSDLLT-FUHWJXTLSA-N 2 0 354.539 0.779 20 0 FCADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000179285190 488861033 /nfs/dbraw/zinc/86/10/33/488861033.db2.gz YUPAMYZRHMZSMC-QGZVFWFLSA-N 2 0 367.538 0.376 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075128 488862924 /nfs/dbraw/zinc/86/29/24/488862924.db2.gz WTNFTDZXOKFWGV-JKSUJKDBSA-N 2 0 354.495 0.997 20 0 FCADRP [NH3+]CCc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000279919244 488975635 /nfs/dbraw/zinc/97/56/35/488975635.db2.gz MZVNLFYJZHTBJK-UHFFFAOYSA-N 3 0 374.514 0.981 20 0 FCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389219 489000102 /nfs/dbraw/zinc/00/01/02/489000102.db2.gz UJCHWUDEZNBRRY-KGLIPLIRSA-N 2 0 362.478 0.238 20 0 FCADRP C[N@H+](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000329405307 489001424 /nfs/dbraw/zinc/00/14/24/489001424.db2.gz BUWFMKWFTHMZJP-OAHLLOKOSA-N 2 0 357.520 0.109 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000365003540 489028246 /nfs/dbraw/zinc/02/82/46/489028246.db2.gz ZMAMSWVJFVCPNH-GOSISDBHSA-N 2 0 369.554 0.766 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1C1CC1 ZINC000289036047 489037822 /nfs/dbraw/zinc/03/78/22/489037822.db2.gz WHMNWSKZZKNFLV-LSDHHAIUSA-N 2 0 362.474 0.911 20 0 FCADRP COCC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281304955 489065796 /nfs/dbraw/zinc/06/57/96/489065796.db2.gz UGECEDHVQDBNDO-MRXNPFEDSA-N 2 0 365.478 0.290 20 0 FCADRP O=C([C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365354366 489066912 /nfs/dbraw/zinc/06/69/12/489066912.db2.gz KDGOVBDEOLHONQ-LOXVXLSQSA-N 2 0 374.529 0.824 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298785 489088976 /nfs/dbraw/zinc/08/89/76/489088976.db2.gz HPKVNYGUGLDDAY-HZPDHXFCSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289902537 489101590 /nfs/dbraw/zinc/10/15/90/489101590.db2.gz UIRXUHJWSRQZBV-KBXCAEBGSA-N 2 0 366.531 0.937 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(CCO)C[C@H](C)O)CC1 ZINC000289928622 489103263 /nfs/dbraw/zinc/10/32/63/489103263.db2.gz UUHWRYTXAMTLLU-SFHVURJKSA-N 2 0 363.502 0.704 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000570329064 491233753 /nfs/dbraw/zinc/23/37/53/491233753.db2.gz FWZYSJVGIISJCX-IBGZPJMESA-N 2 0 360.502 0.819 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290288308 489127837 /nfs/dbraw/zinc/12/78/37/489127837.db2.gz BHFWFSDEWVWEBV-SJORKVTESA-N 2 0 373.501 0.967 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330948683 489160256 /nfs/dbraw/zinc/16/02/56/489160256.db2.gz IYURRZAVHCWDIR-UHFFFAOYSA-N 2 0 374.551 0.331 20 0 FCADRP O=C(CC1CC[NH2+]CC1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000366319868 489170441 /nfs/dbraw/zinc/17/04/41/489170441.db2.gz CKEQVZMUCBSBHG-UHFFFAOYSA-N 2 0 360.506 0.885 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331390845 489205383 /nfs/dbraw/zinc/20/53/83/489205383.db2.gz JJVNCKQRQXQUNR-IAGOWNOFSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000331404165 489206931 /nfs/dbraw/zinc/20/69/31/489206931.db2.gz PVIHYPOQNCYIMY-LTIDMASMSA-N 2 0 350.507 0.776 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000331447064 489212699 /nfs/dbraw/zinc/21/26/99/489212699.db2.gz CFFKYZGJSJIRIR-JJXSEGSLSA-N 2 0 350.507 0.727 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331460420 489214246 /nfs/dbraw/zinc/21/42/46/489214246.db2.gz YWTWRAIHPVUPTQ-IAGOWNOFSA-N 2 0 350.507 0.918 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000570423571 491239879 /nfs/dbraw/zinc/23/98/79/491239879.db2.gz QDJODDVVEHEFKS-UHFFFAOYSA-N 2 0 350.507 0.920 20 0 FCADRP COC(=O)C1CC[NH+](CCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000563375786 491240349 /nfs/dbraw/zinc/24/03/49/491240349.db2.gz FERSGDPDQPNMGC-UHFFFAOYSA-N 2 0 365.478 0.450 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000332899657 489244146 /nfs/dbraw/zinc/24/41/46/489244146.db2.gz UCZUWHGWAJCVIJ-IXDOHACOSA-N 2 0 366.506 0.299 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000283335141 489246401 /nfs/dbraw/zinc/24/64/01/489246401.db2.gz GONCILIQVVAVGL-UHFFFAOYSA-N 2 0 372.513 0.802 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283407566 489255117 /nfs/dbraw/zinc/25/51/17/489255117.db2.gz KMUUGSUWEZGMFX-ROUUACIJSA-N 2 0 370.497 0.978 20 0 FCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738424 489269041 /nfs/dbraw/zinc/26/90/41/489269041.db2.gz XVWYCBDPMJJMLO-CGTJXYLNSA-N 2 0 366.506 0.744 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587956 489278346 /nfs/dbraw/zinc/27/83/46/489278346.db2.gz VIMYRFNJCTZINE-MSOLQXFVSA-N 2 0 374.485 0.214 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1=O ZINC000369911347 489290329 /nfs/dbraw/zinc/29/03/29/489290329.db2.gz KVPJTMFWHOPPBM-PNKHAZJDSA-N 2 0 362.518 0.905 20 0 FCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000570512302 491246204 /nfs/dbraw/zinc/24/62/04/491246204.db2.gz IWPRYOQAURSTAX-YLJYHZDGSA-N 2 0 362.518 0.827 20 0 FCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263611 489308373 /nfs/dbraw/zinc/30/83/73/489308373.db2.gz KXYNRCMSSFWXFY-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000370125697 489318086 /nfs/dbraw/zinc/31/80/86/489318086.db2.gz JTHNIIPMKQXKLT-RCCFBDPRSA-N 2 0 367.538 0.565 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)C[NH3+] ZINC000285913040 489333389 /nfs/dbraw/zinc/33/33/89/489333389.db2.gz DMBOFEHIQISYFH-UHFFFAOYSA-N 2 0 360.380 0.671 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000285934471 489335404 /nfs/dbraw/zinc/33/54/04/489335404.db2.gz FRIIZCXRDDEIAN-KRWDZBQOSA-N 2 0 352.454 0.815 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)C1CC1 ZINC000285985406 489342306 /nfs/dbraw/zinc/34/23/06/489342306.db2.gz NDKRKEPBFNAMIO-UHFFFAOYSA-N 2 0 364.465 0.974 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236340 489372426 /nfs/dbraw/zinc/37/24/26/489372426.db2.gz UNWSJFBDSDQLLH-RTBURBONSA-N 2 0 360.502 0.860 20 0 FCADRP O=C1OC[C@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)OC[C@H]4C3)CCN12 ZINC000370546232 489373216 /nfs/dbraw/zinc/37/32/16/489373216.db2.gz KVEPULWBQVHEBL-HZPDHXFCSA-N 2 0 366.462 0.820 20 0 FCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000362930412 489406004 /nfs/dbraw/zinc/40/60/04/489406004.db2.gz DOUYMYMMSJAJTJ-SJORKVTESA-N 2 0 360.458 0.666 20 0 FCADRP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000563544787 491253837 /nfs/dbraw/zinc/25/38/37/491253837.db2.gz UFVVIHPTCJXXIS-KSZLIROESA-N 2 0 351.539 0.946 20 0 FCADRP C[N@H+](C[C@H](O)CNCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254054 /nfs/dbraw/zinc/25/40/54/491254054.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 2 0 374.529 0.929 20 0 FCADRP COCCn1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1=O ZINC000299443970 489442291 /nfs/dbraw/zinc/44/22/91/489442291.db2.gz XFSZYBRGUZKQOL-UHFFFAOYSA-N 2 0 367.494 0.235 20 0 FCADRP C[C@@H]1CN(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@]1(C)C[NH3+] ZINC000563615124 491258511 /nfs/dbraw/zinc/25/85/11/491258511.db2.gz XRQSXROMSZKBLK-RVKKMQEKSA-N 2 0 351.495 0.167 20 0 FCADRP COC(=O)CCNC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363359760 489457141 /nfs/dbraw/zinc/45/71/41/489457141.db2.gz YATMFBAELHBWBC-IYBDPMFKSA-N 2 0 369.506 0.877 20 0 FCADRP CC(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299598620 489460884 /nfs/dbraw/zinc/46/08/84/489460884.db2.gz VHOWFUAUHDHXAL-SFHVURJKSA-N 2 0 359.474 0.721 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000563566114 491255347 /nfs/dbraw/zinc/25/53/47/491255347.db2.gz ABHCKRSTFBNXJI-CEXWTWQISA-N 2 0 357.502 0.836 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371225173 489469047 /nfs/dbraw/zinc/46/90/47/489469047.db2.gz GVOTXSZTIRRPPK-QZTJIDSGSA-N 2 0 369.554 0.622 20 0 FCADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1CCOC ZINC000371354559 489479987 /nfs/dbraw/zinc/47/99/87/489479987.db2.gz USLWBLZCUAPUIR-FGTMMUONSA-N 2 0 368.522 0.992 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423105309 489493387 /nfs/dbraw/zinc/49/33/87/489493387.db2.gz YZEPSOAXUSUWMP-LJQANCHMSA-N 2 0 364.465 0.913 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596115 491257009 /nfs/dbraw/zinc/25/70/09/491257009.db2.gz IOWIEIYWHRAMES-GOSISDBHSA-N 2 0 373.501 0.582 20 0 FCADRP CN(C)c1ncc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1C ZINC000414361419 489497577 /nfs/dbraw/zinc/49/75/77/489497577.db2.gz CGBZNLJFOACXSK-SFHVURJKSA-N 2 0 372.517 0.865 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423158837 489498285 /nfs/dbraw/zinc/49/82/85/489498285.db2.gz DOBDISASQDWEKE-HOTGVXAUSA-N 2 0 362.474 0.546 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])o1 ZINC000423169447 489499125 /nfs/dbraw/zinc/49/91/25/489499125.db2.gz JYIHRSCDKHOCDT-UHFFFAOYSA-N 2 0 352.479 0.922 20 0 FCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423195533 489501191 /nfs/dbraw/zinc/50/11/91/489501191.db2.gz SVACHQHWKGWQKK-MRXNPFEDSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000423204117 489501842 /nfs/dbraw/zinc/50/18/42/489501842.db2.gz NQDOCMDKTYNLLK-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000423205213 489502501 /nfs/dbraw/zinc/50/25/01/489502501.db2.gz DWWLROGWROSIBS-INIZCTEOSA-N 2 0 354.495 0.014 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423211942 489503223 /nfs/dbraw/zinc/50/32/23/489503223.db2.gz ZFIUECNWEMRSNL-UHFFFAOYSA-N 2 0 352.866 0.662 20 0 FCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423212412 489503546 /nfs/dbraw/zinc/50/35/46/489503546.db2.gz LTTXFYLGUQORFA-DOTOQJQBSA-N 2 0 362.449 0.633 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423219443 489504616 /nfs/dbraw/zinc/50/46/16/489504616.db2.gz WSOXYJGJYDDOFC-HOTGVXAUSA-N 2 0 354.495 0.143 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423219445 489504680 /nfs/dbraw/zinc/50/46/80/489504680.db2.gz WSOXYJGJYDDOFC-JKSUJKDBSA-N 2 0 354.495 0.143 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423233598 489505927 /nfs/dbraw/zinc/50/59/27/489505927.db2.gz DUSUSUHAGNLFGX-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423265439 489509448 /nfs/dbraw/zinc/50/94/48/489509448.db2.gz RAXQKRXSVODFEM-HOTGVXAUSA-N 2 0 356.511 0.247 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)CC1 ZINC000423303171 489513546 /nfs/dbraw/zinc/51/35/46/489513546.db2.gz LFEBJJJTDABXRJ-UHFFFAOYSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(C)c2)CC1 ZINC000415380459 489517107 /nfs/dbraw/zinc/51/71/07/489517107.db2.gz LSHSYNQBNJDUCF-UHFFFAOYSA-N 2 0 361.490 0.929 20 0 FCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2)CC1 ZINC000415410580 489517823 /nfs/dbraw/zinc/51/78/23/489517823.db2.gz AANVZKKAVBSDTL-HNNXBMFYSA-N 2 0 361.490 0.961 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2)CC1 ZINC000415431499 489520476 /nfs/dbraw/zinc/52/04/76/489520476.db2.gz GMCIOMPOGKNKHJ-QAPCUYQASA-N 2 0 373.501 0.963 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000415465637 489523112 /nfs/dbraw/zinc/52/31/12/489523112.db2.gz SKDXSHRJYZLZIH-WFASDCNBSA-N 2 0 366.437 0.900 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000563640430 491260729 /nfs/dbraw/zinc/26/07/29/491260729.db2.gz RMWXISFHKORIBS-AEFFLSMTSA-N 2 0 374.485 0.214 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1OCC[NH+](C)C ZINC000415605084 489535897 /nfs/dbraw/zinc/53/58/97/489535897.db2.gz NSNLJZGKFGCMJS-HNNXBMFYSA-N 2 0 364.446 0.060 20 0 FCADRP COC[C@]1(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCC[NH2+]1 ZINC000415713170 489544675 /nfs/dbraw/zinc/54/46/75/489544675.db2.gz WLTAKLRXKQMYQK-LJQANCHMSA-N 2 0 362.474 0.880 20 0 FCADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115696 489546932 /nfs/dbraw/zinc/54/69/32/489546932.db2.gz IPKHZQHPDITWDR-SJLPKXTDSA-N 2 0 352.523 0.772 20 0 FCADRP O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415814291 489554489 /nfs/dbraw/zinc/55/44/89/489554489.db2.gz IDQVCUBVRCULOL-PBHICJAKSA-N 2 0 374.510 0.994 20 0 FCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000415850459 489558429 /nfs/dbraw/zinc/55/84/29/489558429.db2.gz GVGHRKCFIRNILH-QGZVFWFLSA-N 2 0 361.490 0.487 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415880641 489562998 /nfs/dbraw/zinc/56/29/98/489562998.db2.gz SKYINCQTVYSAPA-UHFFFAOYSA-N 2 0 350.488 0.634 20 0 FCADRP COc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000555660384 491262992 /nfs/dbraw/zinc/26/29/92/491262992.db2.gz DDJRVSBPNLZGBB-UHFFFAOYSA-N 2 0 350.463 0.263 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007257 489567337 /nfs/dbraw/zinc/56/73/37/489567337.db2.gz MLCFDHKYNLWMLL-RYUDHWBXSA-N 2 0 365.400 0.214 20 0 FCADRP Cc1cc(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)nc(C(C)C)n1 ZINC000372313057 489569281 /nfs/dbraw/zinc/56/92/81/489569281.db2.gz HGTJJIVKVIOBNT-KRWDZBQOSA-N 2 0 372.517 0.947 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660925 491263410 /nfs/dbraw/zinc/26/34/10/491263410.db2.gz NDXZCHZYOIHOJN-GDBMZVCRSA-N 2 0 350.507 0.966 20 0 FCADRP O=C(NCC1CC[NH+](CCO)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426541719 489574396 /nfs/dbraw/zinc/57/43/96/489574396.db2.gz BXKVVNZKWDRTKX-MSOLQXFVSA-N 2 0 368.522 0.368 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000372399863 489580624 /nfs/dbraw/zinc/58/06/24/489580624.db2.gz WVIMTUCMNFPETM-UHOSZYNNSA-N 2 0 360.502 0.845 20 0 FCADRP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399055 489580756 /nfs/dbraw/zinc/58/07/56/489580756.db2.gz ARESXVPGHZAVGT-FUHWJXTLSA-N 2 0 352.523 0.535 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)O1 ZINC000426821521 489582897 /nfs/dbraw/zinc/58/28/97/489582897.db2.gz UBXDUVYUDGWDCU-FPCVCCKLSA-N 2 0 356.511 0.447 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)n2)CC1 ZINC000427107013 489594351 /nfs/dbraw/zinc/59/43/51/489594351.db2.gz HPNNGFPBBRUWCF-UHFFFAOYSA-N 2 0 362.478 0.690 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128036 489595871 /nfs/dbraw/zinc/59/58/71/489595871.db2.gz JFEYXALUJKYFTF-JKSUJKDBSA-N 2 0 374.489 0.831 20 0 FCADRP C[NH+](C)CCn1nccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000455661186 489598097 /nfs/dbraw/zinc/59/80/97/489598097.db2.gz TVLZQHGIIIIEPJ-HNNXBMFYSA-N 2 0 352.483 0.803 20 0 FCADRP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000427228595 489598374 /nfs/dbraw/zinc/59/83/74/489598374.db2.gz XPGXLJMFFZSPQN-KGLIPLIRSA-N 2 0 362.478 0.639 20 0 FCADRP C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000427228597 489598715 /nfs/dbraw/zinc/59/87/15/489598715.db2.gz XPGXLJMFFZSPQN-ZIAGYGMSSA-N 2 0 362.478 0.639 20 0 FCADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(CC2CC2)CC1 ZINC000555686476 491266143 /nfs/dbraw/zinc/26/61/43/491266143.db2.gz HLSJPGICCBTVRW-IBGZPJMESA-N 2 0 370.497 0.931 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691965 489622775 /nfs/dbraw/zinc/62/27/75/489622775.db2.gz DQQCINIHYRHVFG-UYTYNIKBSA-N 2 0 364.534 0.689 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676037 489622778 /nfs/dbraw/zinc/62/27/78/489622778.db2.gz XNGGGVZJIFCTRZ-NUJGCVRESA-N 2 0 365.522 0.175 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000416834077 489631165 /nfs/dbraw/zinc/63/11/65/489631165.db2.gz WGTBOCMYLAIJIZ-HNNXBMFYSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@@H](C)O1 ZINC000416948875 489635563 /nfs/dbraw/zinc/63/55/63/489635563.db2.gz QEJGFGSGUYEUHR-ZACQAIPSSA-N 2 0 368.522 0.883 20 0 FCADRP COC[C@]1(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000416957887 489636264 /nfs/dbraw/zinc/63/62/64/489636264.db2.gz OKSBEKJBZSRSDP-SJLPKXTDSA-N 2 0 355.527 0.326 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417003385 489637853 /nfs/dbraw/zinc/63/78/53/489637853.db2.gz HIGYURDAINQRSY-GOSISDBHSA-N 2 0 373.501 0.541 20 0 FCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417066292 489640406 /nfs/dbraw/zinc/64/04/06/489640406.db2.gz CGHORJDFUMAFBZ-RDBSUJKOSA-N 2 0 363.428 0.749 20 0 FCADRP C[N@H+](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000417234165 489645490 /nfs/dbraw/zinc/64/54/90/489645490.db2.gz UNJUDZOVTHDCGY-KRWDZBQOSA-N 2 0 361.490 0.615 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515862 489648093 /nfs/dbraw/zinc/64/80/93/489648093.db2.gz NLLUCSDJRJNJFI-SJORKVTESA-N 2 0 356.511 0.489 20 0 FCADRP C[C@@H](NC(=O)N(CC[NH3+])CCO)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417420629 489651497 /nfs/dbraw/zinc/65/14/97/489651497.db2.gz KGHBAKCIUXZSNR-CQSZACIVSA-N 2 0 367.469 0.601 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417419660 489651711 /nfs/dbraw/zinc/65/17/11/489651711.db2.gz DGKXPMWGAYTAPA-JKSUJKDBSA-N 2 0 353.511 0.618 20 0 FCADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000417430842 489652514 /nfs/dbraw/zinc/65/25/14/489652514.db2.gz QDNMNCCYFPATPD-PMPSAXMXSA-N 2 0 353.511 0.698 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417431057 489652522 /nfs/dbraw/zinc/65/25/22/489652522.db2.gz QKHCNZLOJLURAO-HOTGVXAUSA-N 2 0 355.527 0.944 20 0 FCADRP CCCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000417427973 489652842 /nfs/dbraw/zinc/65/28/42/489652842.db2.gz KBOHSVGPCLBLBE-HOTGVXAUSA-N 2 0 353.511 0.713 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417526581 489657113 /nfs/dbraw/zinc/65/71/13/489657113.db2.gz MSQYWIUHAYLHJV-KRWDZBQOSA-N 2 0 363.506 0.372 20 0 FCADRP C[NH2+]CCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417534633 489657463 /nfs/dbraw/zinc/65/74/63/489657463.db2.gz AGUZZWQUUBVFCB-QGZVFWFLSA-N 2 0 361.490 0.793 20 0 FCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)C1 ZINC000417543686 489657783 /nfs/dbraw/zinc/65/77/83/489657783.db2.gz GHUOZRRLQSKRBI-ROUUACIJSA-N 2 0 373.501 0.935 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417572042 489658705 /nfs/dbraw/zinc/65/87/05/489658705.db2.gz YACAIIAPPHUQMN-GOEBONIOSA-N 2 0 353.511 0.746 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417667847 489660832 /nfs/dbraw/zinc/66/08/32/489660832.db2.gz HQMGUJOLRBJSRC-ROUUACIJSA-N 2 0 369.554 0.718 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000417820348 489667369 /nfs/dbraw/zinc/66/73/69/489667369.db2.gz HHOREIBSDHILFW-OAHLLOKOSA-N 2 0 365.522 0.890 20 0 FCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417846745 489668721 /nfs/dbraw/zinc/66/87/21/489668721.db2.gz QFAJJVGHURXIOT-HNNXBMFYSA-N 2 0 353.511 0.650 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417896891 489670057 /nfs/dbraw/zinc/67/00/57/489670057.db2.gz WFZULCDLYAZMSJ-IAGOWNOFSA-N 2 0 367.538 0.993 20 0 FCADRP O=C(NCCCN1CC[NH2+]CC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417913312 489671507 /nfs/dbraw/zinc/67/15/07/489671507.db2.gz PZGRXHNLNFMBSV-QZTJIDSGSA-N 2 0 367.538 0.349 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458236020 489674381 /nfs/dbraw/zinc/67/43/81/489674381.db2.gz KBRXAYDDDMYZBR-KRWDZBQOSA-N 2 0 356.511 0.633 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCN2CCOC[C@@H]2C)CC1 ZINC000458287780 489675990 /nfs/dbraw/zinc/67/59/90/489675990.db2.gz BVOQRUNYFMVFNK-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000555754057 491270592 /nfs/dbraw/zinc/27/05/92/491270592.db2.gz KCCJRWLRXRQMJE-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000555754455 491271078 /nfs/dbraw/zinc/27/10/78/491271078.db2.gz ZXLWEIWSPPWOMX-UHFFFAOYSA-N 2 0 368.522 0.282 20 0 FCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448330 489684440 /nfs/dbraw/zinc/68/44/40/489684440.db2.gz XTYFKDQGVSEHDB-APWZRJJASA-N 2 0 365.522 0.701 20 0 FCADRP COCC[NH+]1[C@@H]2CC[C@H]1CC(N(C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1)C2 ZINC000458445611 489684572 /nfs/dbraw/zinc/68/45/72/489684572.db2.gz VEEKVVLIIGZHGV-XNHLSEOASA-N 2 0 368.522 0.990 20 0 FCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212064 489684739 /nfs/dbraw/zinc/68/47/39/489684739.db2.gz ZJRLCNDDAVFJMR-DLBZAZTESA-N 2 0 367.538 0.960 20 0 FCADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000418288486 489688743 /nfs/dbraw/zinc/68/87/43/489688743.db2.gz IGWXEIREEAJYSX-CVEARBPZSA-N 2 0 353.511 0.747 20 0 FCADRP O=C(NCCN1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418297977 489689103 /nfs/dbraw/zinc/68/91/03/489689103.db2.gz LNOMWYXXJGSKOZ-UHFFFAOYSA-N 2 0 367.538 0.426 20 0 FCADRP O=C(CNC(=O)NCC[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCCCCC1 ZINC000418343402 489692893 /nfs/dbraw/zinc/69/28/93/489692893.db2.gz JMPVLTATAYPJHD-INIZCTEOSA-N 2 0 353.511 0.668 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418435108 489697879 /nfs/dbraw/zinc/69/78/79/489697879.db2.gz HCUKSADXAWTQEL-GJZGRUSLSA-N 2 0 353.511 0.794 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155230 489698015 /nfs/dbraw/zinc/69/80/15/489698015.db2.gz ZJSUZQPHOPUOEF-QAPCUYQASA-N 2 0 351.495 0.311 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418513184 489703016 /nfs/dbraw/zinc/70/30/16/489703016.db2.gz URTKYLCWMIKPQU-IRXDYDNUSA-N 2 0 355.527 0.422 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418548567 489706404 /nfs/dbraw/zinc/70/64/04/489706404.db2.gz KVYWALNSFNUQBG-FGTMMUONSA-N 2 0 362.474 0.818 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000418567919 489707988 /nfs/dbraw/zinc/70/79/88/489707988.db2.gz XCTGOTWHJCRDKY-JENIJYKNSA-N 2 0 364.490 0.753 20 0 FCADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000418604170 489709789 /nfs/dbraw/zinc/70/97/89/489709789.db2.gz XIVMENRUKFGDFS-UAGQMJEPSA-N 2 0 365.522 0.794 20 0 FCADRP CCCN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000418615049 489711350 /nfs/dbraw/zinc/71/13/50/489711350.db2.gz LISFXNOBJCEYHD-QWHCGFSZSA-N 2 0 351.417 0.606 20 0 FCADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418623419 489711859 /nfs/dbraw/zinc/71/18/59/489711859.db2.gz XEACLZALJYZYOG-YPMHNXCESA-N 2 0 351.417 0.591 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418637341 489714165 /nfs/dbraw/zinc/71/41/65/489714165.db2.gz NIHTZNIBWIZMOW-SFHVURJKSA-N 2 0 355.527 0.470 20 0 FCADRP COCC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC[NH2+]CC1 ZINC000418637661 489714464 /nfs/dbraw/zinc/71/44/64/489714464.db2.gz KAUMSNHOKJSCQZ-OAHLLOKOSA-N 2 0 356.511 0.489 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418649087 489715299 /nfs/dbraw/zinc/71/52/99/489715299.db2.gz VPTDDHAUCXKWCW-LSDHHAIUSA-N 2 0 353.511 0.794 20 0 FCADRP O=C(CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)NCC[NH+]1CCCCCC1 ZINC000418658528 489716593 /nfs/dbraw/zinc/71/65/93/489716593.db2.gz KEMLPIHGLBEKDL-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418689997 489718285 /nfs/dbraw/zinc/71/82/85/489718285.db2.gz WAQUZRRBZFQFLJ-IXDOHACOSA-N 2 0 359.474 0.239 20 0 FCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000418733222 489720855 /nfs/dbraw/zinc/72/08/55/489720855.db2.gz VBKRYNFVNAPGDK-JKSUJKDBSA-N 2 0 353.511 0.795 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(F)F ZINC000418746653 489721002 /nfs/dbraw/zinc/72/10/02/489721002.db2.gz XWXJTBMTZSIIHK-KKUMJFAQSA-N 2 0 356.417 0.904 20 0 FCADRP [NH3+]CC[C@H](NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(F)F ZINC000418746651 489721154 /nfs/dbraw/zinc/72/11/54/489721154.db2.gz XWXJTBMTZSIIHK-ILXRZTDVSA-N 2 0 356.417 0.904 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875259 491273981 /nfs/dbraw/zinc/27/39/81/491273981.db2.gz DWZOAWTWKKEHBD-UONOGXRCSA-N 2 0 365.444 0.806 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418762320 489724030 /nfs/dbraw/zinc/72/40/30/489724030.db2.gz LTOQCNPPFMGFDR-HNNXBMFYSA-N 2 0 369.460 0.942 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418773810 489724910 /nfs/dbraw/zinc/72/49/10/489724910.db2.gz UTYOKSNXOKIWJP-QGZVFWFLSA-N 2 0 356.511 0.755 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774520 489726229 /nfs/dbraw/zinc/72/62/29/489726229.db2.gz YWRMCMPOHMNNGB-MOPGFXCFSA-N 2 0 374.533 0.981 20 0 FCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418793965 489728158 /nfs/dbraw/zinc/72/81/58/489728158.db2.gz AYPCONYAJYCCIB-MRXNPFEDSA-N 2 0 366.506 0.206 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805409 489731917 /nfs/dbraw/zinc/73/19/17/489731917.db2.gz NFVCZVCDIMTTNK-MRXNPFEDSA-N 2 0 366.506 0.254 20 0 FCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418810405 489733895 /nfs/dbraw/zinc/73/38/95/489733895.db2.gz UQWZFVGCOHRFGF-MRXNPFEDSA-N 2 0 366.506 0.335 20 0 FCADRP CC[N@H+]1C[C@@H](C)N(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485757 489734783 /nfs/dbraw/zinc/73/47/83/489734783.db2.gz UADYTACUYIVBKU-FGTMMUONSA-N 2 0 354.539 0.874 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000418819685 489737114 /nfs/dbraw/zinc/73/71/14/489737114.db2.gz KDTVOJPPXZMGNT-HUUCEWRRSA-N 2 0 354.495 0.189 20 0 FCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418827801 489742242 /nfs/dbraw/zinc/74/22/42/489742242.db2.gz HCWXOKXDBVFELS-INIZCTEOSA-N 2 0 368.522 0.771 20 0 FCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]2CCCCC2)cc1 ZINC000418830734 489743072 /nfs/dbraw/zinc/74/30/72/489743072.db2.gz JWDPVWGDEMOYGF-YOEHRIQHSA-N 2 0 362.474 0.802 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831807 489744445 /nfs/dbraw/zinc/74/44/45/489744445.db2.gz GPXDHIYLAHGEAY-ZWKOTPCHSA-N 2 0 360.502 0.909 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000430553445 489745863 /nfs/dbraw/zinc/74/58/63/489745863.db2.gz OUVWKLVCCZSCDK-IBGZPJMESA-N 2 0 366.550 0.923 20 0 FCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430569655 489747509 /nfs/dbraw/zinc/74/75/09/489747509.db2.gz MEZVZLLTULYYQE-SNVBAGLBSA-N 2 0 354.373 0.593 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000418839126 489748908 /nfs/dbraw/zinc/74/89/08/489748908.db2.gz DBRSFPIFLMMQBE-DLBZAZTESA-N 2 0 360.458 0.126 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c[nH+]cn3c2)cn1 ZINC000555847163 491276539 /nfs/dbraw/zinc/27/65/39/491276539.db2.gz FJOLCXSQHVFHOP-UHFFFAOYSA-N 2 0 355.402 0.461 20 0 FCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430602121 489750341 /nfs/dbraw/zinc/75/03/41/489750341.db2.gz GGZLCSQYRLRCDX-CYBMUJFWSA-N 2 0 354.401 0.368 20 0 FCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000418839640 489750572 /nfs/dbraw/zinc/75/05/72/489750572.db2.gz DAIGZRPAPXEYFU-IMJJTQAJSA-N 2 0 350.507 0.951 20 0 FCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000430606044 489751741 /nfs/dbraw/zinc/75/17/41/489751741.db2.gz VJETXAQIFDBUHT-UHFFFAOYSA-N 2 0 350.488 0.703 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000418842362 489751942 /nfs/dbraw/zinc/75/19/42/489751942.db2.gz ZVWUJWCTHZTNFR-JFIYKMOQSA-N 2 0 374.485 0.212 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474307969 489752756 /nfs/dbraw/zinc/75/27/56/489752756.db2.gz UCFPXMGACDLRCG-VMGRFDJRSA-N 2 0 368.428 0.626 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474307966 489752818 /nfs/dbraw/zinc/75/28/18/489752818.db2.gz UCFPXMGACDLRCG-MJEQTWJJSA-N 2 0 368.428 0.626 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474307967 489752853 /nfs/dbraw/zinc/75/28/53/489752853.db2.gz UCFPXMGACDLRCG-NUTKFTJISA-N 2 0 368.428 0.626 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1 ZINC000490173747 489753015 /nfs/dbraw/zinc/75/30/15/489753015.db2.gz IXKHOQULZHGZJQ-FUHWJXTLSA-N 2 0 366.506 0.189 20 0 FCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000430615284 489753709 /nfs/dbraw/zinc/75/37/09/489753709.db2.gz AZPKDGKJESDVEZ-IBGZPJMESA-N 2 0 372.513 0.879 20 0 FCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(F)cc1 ZINC000430616772 489754809 /nfs/dbraw/zinc/75/48/09/489754809.db2.gz HPGATUZOUWAQLH-MRXNPFEDSA-N 2 0 362.449 0.586 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000418849760 489755545 /nfs/dbraw/zinc/75/55/45/489755545.db2.gz NFCQFZPPHRSTKC-KURKYZTESA-N 2 0 358.486 0.343 20 0 FCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430627540 489757223 /nfs/dbraw/zinc/75/72/23/489757223.db2.gz MFUAPALFVNVKLH-HNNXBMFYSA-N 2 0 372.469 0.850 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000418855428 489759761 /nfs/dbraw/zinc/75/97/61/489759761.db2.gz DHCQIIKSGONBEP-HZPDHXFCSA-N 2 0 368.522 0.579 20 0 FCADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430651255 489762094 /nfs/dbraw/zinc/76/20/94/489762094.db2.gz LHHKBJYTMMGTRD-KRWDZBQOSA-N 2 0 374.485 0.455 20 0 FCADRP [NH3+]C1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000418865432 489764459 /nfs/dbraw/zinc/76/44/59/489764459.db2.gz RXUQGUMQPCDOJS-AWEZNQCLSA-N 2 0 350.488 0.951 20 0 FCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418866352 489764857 /nfs/dbraw/zinc/76/48/57/489764857.db2.gz SPRBYJDILFQBMO-QLFBSQMISA-N 2 0 362.499 0.822 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[NH+](C)C)c1 ZINC000418867213 489765660 /nfs/dbraw/zinc/76/56/60/489765660.db2.gz UQLTYMZHKOEIGI-JKIFEVAISA-N 2 0 362.474 0.623 20 0 FCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418867948 489766180 /nfs/dbraw/zinc/76/61/80/489766180.db2.gz VHWJTGKJOCLCOA-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418868804 489766562 /nfs/dbraw/zinc/76/65/62/489766562.db2.gz WQYMAEOIOVFLGM-YOEHRIQHSA-N 2 0 362.474 0.482 20 0 FCADRP CN(C(=O)c1ccc(NC(=O)COC2C[NH2+]C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000430788539 489770442 /nfs/dbraw/zinc/77/04/42/489770442.db2.gz CIGJUKZVGYLYNG-INIZCTEOSA-N 2 0 360.458 0.780 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418878999 489770730 /nfs/dbraw/zinc/77/07/30/489770730.db2.gz MVLMNFUEPWSAGQ-GOEBONIOSA-N 2 0 354.495 0.237 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000418879707 489772061 /nfs/dbraw/zinc/77/20/61/489772061.db2.gz NXFLMHGWVBQNEG-YYIAUSFCSA-N 2 0 366.506 0.189 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000418879706 489772483 /nfs/dbraw/zinc/77/24/83/489772483.db2.gz NXFLMHGWVBQNEG-TWMKSMIVSA-N 2 0 366.506 0.189 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418879944 489772748 /nfs/dbraw/zinc/77/27/48/489772748.db2.gz OFWMGQWICXTCLM-CVEARBPZSA-N 2 0 356.511 0.435 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430874899 489774208 /nfs/dbraw/zinc/77/42/08/489774208.db2.gz JACOWGALOKZFIU-YVSFHVDLSA-N 2 0 350.507 0.966 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430878766 489774769 /nfs/dbraw/zinc/77/47/69/489774769.db2.gz PRCARCHYQWGSES-NPYXIHBLSA-N 2 0 350.507 0.966 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000490640955 489778310 /nfs/dbraw/zinc/77/83/10/489778310.db2.gz OBMPFDKYWTUUSW-CVEARBPZSA-N 2 0 356.511 0.584 20 0 FCADRP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000430941202 489779785 /nfs/dbraw/zinc/77/97/85/489779785.db2.gz UXKNWZFXGLLFNF-DLBZAZTESA-N 2 0 352.523 0.807 20 0 FCADRP C[NH2+]CC1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000430962841 489782321 /nfs/dbraw/zinc/78/23/21/489782321.db2.gz IEPGKJXZADASAK-UHFFFAOYSA-N 2 0 362.540 0.094 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000459896051 489783770 /nfs/dbraw/zinc/78/37/70/489783770.db2.gz DVIPJZFDQBMHJK-LJQANCHMSA-N 2 0 352.523 0.977 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H](C)O1 ZINC000376725411 489784475 /nfs/dbraw/zinc/78/44/75/489784475.db2.gz BFYGBVMRRWFNMR-QBPKDAKJSA-N 2 0 354.495 0.648 20 0 FCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431037565 489786950 /nfs/dbraw/zinc/78/69/50/489786950.db2.gz OMRNLWQMALDSKJ-INIZCTEOSA-N 2 0 358.490 0.589 20 0 FCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000570991091 491278747 /nfs/dbraw/zinc/27/87/47/491278747.db2.gz TXQDWFYYGDVKCC-SJORKVTESA-N 2 0 350.507 0.779 20 0 FCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459909568 489789019 /nfs/dbraw/zinc/78/90/19/489789019.db2.gz DFIBAANJJDAEAA-UHFFFAOYSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431092364 489789097 /nfs/dbraw/zinc/78/90/97/489789097.db2.gz AWMKCMFAJKCMAK-ZDUSSCGKSA-N 2 0 355.401 0.316 20 0 FCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418915090 489789159 /nfs/dbraw/zinc/78/91/59/489789159.db2.gz UPAWOZNPLFRFPU-IUIKQTSFSA-N 2 0 368.428 0.798 20 0 FCADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916668 489790067 /nfs/dbraw/zinc/79/00/67/489790067.db2.gz XGRCXOACJTXUQR-DOMZBBRYSA-N 2 0 370.856 0.924 20 0 FCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000418915653 489790134 /nfs/dbraw/zinc/79/01/34/489790134.db2.gz QDZXGKWYDDMJJH-KRWDZBQOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000418928701 489794286 /nfs/dbraw/zinc/79/42/86/489794286.db2.gz VICNXHDWNJFFAA-HZMVEIRTSA-N 2 0 366.506 0.045 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000459922084 489795087 /nfs/dbraw/zinc/79/50/87/489795087.db2.gz PWOYCLNENCDNDX-QGZVFWFLSA-N 2 0 350.507 0.731 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000459922697 489795343 /nfs/dbraw/zinc/79/53/43/489795343.db2.gz RHABKPQOQLHVRR-QGZVFWFLSA-N 2 0 350.507 0.731 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941817 489797874 /nfs/dbraw/zinc/79/78/74/489797874.db2.gz WKSRAIILFADLQZ-JKSUJKDBSA-N 2 0 368.522 0.988 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccco1 ZINC000418941382 489798150 /nfs/dbraw/zinc/79/81/50/489798150.db2.gz KJSMKYCDVSMACB-RRFJBIMHSA-N 2 0 350.463 0.974 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCCO1 ZINC000418942656 489798454 /nfs/dbraw/zinc/79/84/54/489798454.db2.gz XXHFZDLUMISEFH-MRXNPFEDSA-N 2 0 354.495 0.335 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccco1 ZINC000418942846 489798627 /nfs/dbraw/zinc/79/86/27/489798627.db2.gz MBBYOEAZHNBKCC-CQSZACIVSA-N 2 0 350.463 0.989 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccco1 ZINC000418941380 489798668 /nfs/dbraw/zinc/79/86/68/489798668.db2.gz KJSMKYCDVSMACB-QLFBSQMISA-N 2 0 350.463 0.974 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000431280880 489798937 /nfs/dbraw/zinc/79/89/37/489798937.db2.gz CQMGUTGRJTYOIE-HZPDHXFCSA-N 2 0 365.522 0.903 20 0 FCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000555888471 491279440 /nfs/dbraw/zinc/27/94/40/491279440.db2.gz SFNSRDJWIPPIBX-OAHLLOKOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[N@H+](C)C1CC1 ZINC000431283350 489799052 /nfs/dbraw/zinc/79/90/52/489799052.db2.gz PKYZJFDEAVBLLC-OAHLLOKOSA-N 2 0 353.511 0.761 20 0 FCADRP COCC(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000563954659 491279462 /nfs/dbraw/zinc/27/94/62/491279462.db2.gz NVXQIFFRIOMISU-UHFFFAOYSA-N 2 0 359.430 0.842 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccco1 ZINC000418949057 489801742 /nfs/dbraw/zinc/80/17/42/489801742.db2.gz USASKNUSTSUFIP-CABCVRRESA-N 2 0 366.462 0.355 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000459981099 489808447 /nfs/dbraw/zinc/80/84/47/489808447.db2.gz AOZITHMHLXUFOE-GVDBMIGSSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000459985447 489809266 /nfs/dbraw/zinc/80/92/66/489809266.db2.gz DMIWFMARXGTCKO-JKSUJKDBSA-N 2 0 352.523 0.975 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000555895245 491280416 /nfs/dbraw/zinc/28/04/16/491280416.db2.gz OYUXMOYXIQYNOP-UHFFFAOYSA-N 2 0 356.417 0.533 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459997726 489812662 /nfs/dbraw/zinc/81/26/62/489812662.db2.gz TYBAVOJXWTXQLF-IRXDYDNUSA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)C1(CNc2nc3c(c(NCC4([NH+](C)C)CC4)n2)SCC3)CC1 ZINC000419005136 489815075 /nfs/dbraw/zinc/81/50/75/489815075.db2.gz FSWRMZUOEBLITJ-UHFFFAOYSA-N 2 0 362.547 0.981 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000419014149 489817714 /nfs/dbraw/zinc/81/77/14/489817714.db2.gz CGSGEKGVGYOISJ-QGZVFWFLSA-N 2 0 362.474 0.331 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419024839 489822266 /nfs/dbraw/zinc/82/22/66/489822266.db2.gz LCRZSXVYFZXHDX-GASCZTMLSA-N 2 0 356.511 0.211 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419024766 489822408 /nfs/dbraw/zinc/82/24/08/489822408.db2.gz LANVJDDPBJQJSA-BPKGMFCQSA-N 2 0 350.507 0.727 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419023947 489822510 /nfs/dbraw/zinc/82/25/10/489822510.db2.gz KMIDDWJGBBIBSF-OXODIDRGSA-N 2 0 364.534 0.973 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419028860 489824338 /nfs/dbraw/zinc/82/43/38/489824338.db2.gz QPWFEBBESWOXSF-QLFBSQMISA-N 2 0 354.495 0.045 20 0 FCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419030256 489825133 /nfs/dbraw/zinc/82/51/33/489825133.db2.gz SVVMWUAXXBMADF-WRQOLXDDSA-N 2 0 368.522 0.434 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419034020 489827053 /nfs/dbraw/zinc/82/70/53/489827053.db2.gz YYECRCSKLMMUCB-BPKGMFCQSA-N 2 0 352.523 0.912 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419034024 489827630 /nfs/dbraw/zinc/82/76/30/489827630.db2.gz YYECRCSKLMMUCB-QEOTZNIISA-N 2 0 352.523 0.912 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419037913 489828978 /nfs/dbraw/zinc/82/89/78/489828978.db2.gz DQOSVXMCQMPHEG-WBVHZDCISA-N 2 0 368.522 0.720 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCC(C)(C)C)CC3)C[C@@H]21 ZINC000460040716 489829471 /nfs/dbraw/zinc/82/94/71/489829471.db2.gz ZQJBYEYZWYHEQW-CVEARBPZSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041379 489829537 /nfs/dbraw/zinc/82/95/37/489829537.db2.gz BTJIOPCDRNVLEB-NVXWUHKLSA-N 2 0 364.490 0.005 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419037911 489829598 /nfs/dbraw/zinc/82/95/98/489829598.db2.gz DQOSVXMCQMPHEG-NVXWUHKLSA-N 2 0 368.522 0.720 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000419043228 489831149 /nfs/dbraw/zinc/83/11/49/489831149.db2.gz QVCVLURFKPFUOE-ULQDDVLXSA-N 2 0 368.522 0.579 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419044622 489832359 /nfs/dbraw/zinc/83/23/59/489832359.db2.gz UKRFSRHESZZXFS-OAGGEKHMSA-N 2 0 354.495 0.189 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068566 489843938 /nfs/dbraw/zinc/84/39/38/489843938.db2.gz FQLUYWQVSYLKFN-YOEHRIQHSA-N 2 0 364.490 1.000 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000571049765 491282716 /nfs/dbraw/zinc/28/27/16/491282716.db2.gz LQEUHAUVDJGJJP-ZWKOTPCHSA-N 2 0 358.486 0.932 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460082172 489846901 /nfs/dbraw/zinc/84/69/01/489846901.db2.gz ZVAOGUJHVSSPNQ-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419099051 489854853 /nfs/dbraw/zinc/85/48/53/489854853.db2.gz DIARLZYSYWMICI-KRWDZBQOSA-N 2 0 374.485 0.380 20 0 FCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419100007 489855205 /nfs/dbraw/zinc/85/52/05/489855205.db2.gz FJGBBASSWDCWSI-QGZVFWFLSA-N 2 0 374.485 0.298 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)cc1F ZINC000419101883 489855553 /nfs/dbraw/zinc/85/55/53/489855553.db2.gz DPOHLDADIXXJJJ-UHFFFAOYSA-N 2 0 350.438 0.762 20 0 FCADRP COc1cccc([C@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)[NH+](C)C)c1 ZINC000460237824 489857243 /nfs/dbraw/zinc/85/72/43/489857243.db2.gz BLDCOZCKOGZLDC-FUHWJXTLSA-N 2 0 350.463 0.664 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000419107470 489857463 /nfs/dbraw/zinc/85/74/63/489857463.db2.gz KNYDPSMZHRGHPX-WBMJQRKESA-N 2 0 350.438 0.699 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000419109222 489858116 /nfs/dbraw/zinc/85/81/16/489858116.db2.gz MOEKZPHSOYFCFB-BBRMVZONSA-N 2 0 364.465 0.947 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261784 489859250 /nfs/dbraw/zinc/85/92/50/489859250.db2.gz RQJXEAHFOBLYRW-ICSRJNTNSA-N 2 0 360.502 0.917 20 0 FCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000419111967 489860111 /nfs/dbraw/zinc/86/01/11/489860111.db2.gz PHRKAPOXRSSEDQ-ZBFHGGJFSA-N 2 0 362.449 0.571 20 0 FCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000460268443 489860705 /nfs/dbraw/zinc/86/07/05/489860705.db2.gz HQWFGOQDEIRPEX-IBGZPJMESA-N 2 0 364.490 0.535 20 0 FCADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460276284 489861703 /nfs/dbraw/zinc/86/17/03/489861703.db2.gz XMPCYPIHALXRQB-GOSISDBHSA-N 2 0 350.463 0.493 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000433141025 489867756 /nfs/dbraw/zinc/86/77/56/489867756.db2.gz LNBXXFRIRKLDPG-UHFFFAOYSA-N 2 0 361.490 0.738 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000433124933 489867900 /nfs/dbraw/zinc/86/79/00/489867900.db2.gz GZZBNUSQPPNLJT-MRXNPFEDSA-N 2 0 352.479 0.040 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)CC(C)C ZINC000419125283 489868756 /nfs/dbraw/zinc/86/87/56/489868756.db2.gz JRVHFTFVNOXWMO-ULQDDVLXSA-N 2 0 352.523 0.927 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000433149057 489869177 /nfs/dbraw/zinc/86/91/77/489869177.db2.gz CKWZKOMBVVNHGY-GFCCVEGCSA-N 2 0 350.385 0.469 20 0 FCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000433165447 489870054 /nfs/dbraw/zinc/87/00/54/489870054.db2.gz URMVMFMOGXXNRG-QGZVFWFLSA-N 3 0 352.523 0.761 20 0 FCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433451476 489885058 /nfs/dbraw/zinc/88/50/58/489885058.db2.gz CAQLYIFDMBDPRY-DLBZAZTESA-N 2 0 370.538 0.974 20 0 FCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027127 489885258 /nfs/dbraw/zinc/88/52/58/489885258.db2.gz CUBBOWZXJRAFAF-ZBFHGGJFSA-N 2 0 368.522 0.796 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420037663 489888962 /nfs/dbraw/zinc/88/89/62/489888962.db2.gz UWIWTODHBUJLQU-WMZOPIPTSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420053150 489894655 /nfs/dbraw/zinc/89/46/55/489894655.db2.gz IMMRAZGZNBNGIH-GJZGRUSLSA-N 2 0 368.522 0.578 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000420051361 489895261 /nfs/dbraw/zinc/89/52/61/489895261.db2.gz DWHKTLUEOWXPNA-HLLBOEOZSA-N 2 0 366.506 0.332 20 0 FCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420060250 489898081 /nfs/dbraw/zinc/89/80/81/489898081.db2.gz KXEYHMSSCHLPSR-GDBMZVCRSA-N 2 0 350.463 0.804 20 0 FCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420065367 489899854 /nfs/dbraw/zinc/89/98/54/489899854.db2.gz POPYOSSWBZJOOF-JKIFEVAISA-N 2 0 366.506 0.188 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420075458 489904531 /nfs/dbraw/zinc/90/45/31/489904531.db2.gz SMRVJANHNWNPQF-NVXWUHKLSA-N 2 0 350.507 0.810 20 0 FCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000420080355 489905719 /nfs/dbraw/zinc/90/57/19/489905719.db2.gz GPOPAYVMDWVBQD-IIAWOOMASA-N 2 0 354.495 0.236 20 0 FCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420085070 489906518 /nfs/dbraw/zinc/90/65/18/489906518.db2.gz WZZUIALMSBBTJT-UHFFFAOYSA-N 2 0 354.495 0.191 20 0 FCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000420120723 489919028 /nfs/dbraw/zinc/91/90/28/489919028.db2.gz KBWSXDYCAWJOGA-YZUHTNEWSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420153576 489933605 /nfs/dbraw/zinc/93/36/05/489933605.db2.gz ZZJSNHRLDKSGAC-YJBOKZPZSA-N 2 0 373.501 0.871 20 0 FCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420163941 489937190 /nfs/dbraw/zinc/93/71/90/489937190.db2.gz LLHFZZBKNUQNNH-OAGGEKHMSA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)C1(CNC(=O)c2cccc(C(=O)NCC3([NH+](C)C)CC3)n2)CC1 ZINC000420170284 489938798 /nfs/dbraw/zinc/93/87/98/489938798.db2.gz LZUFADWQUMUSON-UHFFFAOYSA-N 2 0 359.474 0.730 20 0 FCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000420174173 489940686 /nfs/dbraw/zinc/94/06/86/489940686.db2.gz YESZRDHWXDKQGL-MRXNPFEDSA-N 2 0 350.507 0.968 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000556021851 491289752 /nfs/dbraw/zinc/28/97/52/491289752.db2.gz VVFVLZIBWLGROE-MRXNPFEDSA-N 2 0 366.506 0.347 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000477104617 489943668 /nfs/dbraw/zinc/94/36/68/489943668.db2.gz ZXORJULIJOXEBQ-CVEARBPZSA-N 2 0 356.511 0.306 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000420187469 489945009 /nfs/dbraw/zinc/94/50/09/489945009.db2.gz RJQYUFNLNALNFN-IRXDYDNUSA-N 2 0 368.522 0.452 20 0 FCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189088 489945806 /nfs/dbraw/zinc/94/58/06/489945806.db2.gz NOSMGMBDEXQKLM-MRXNPFEDSA-N 2 0 356.511 0.308 20 0 FCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420190740 489946990 /nfs/dbraw/zinc/94/69/90/489946990.db2.gz HFVZSZAEUWAMBK-ZBFHGGJFSA-N 2 0 364.465 0.960 20 0 FCADRP C[C@@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420196909 489948734 /nfs/dbraw/zinc/94/87/34/489948734.db2.gz AEUOQPWNMZRUFV-MRXNPFEDSA-N 2 0 374.485 0.343 20 0 FCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420206297 489952458 /nfs/dbraw/zinc/95/24/58/489952458.db2.gz PYPCUDZKCMVGHO-ZIAGYGMSSA-N 2 0 352.504 0.882 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420214624 489954382 /nfs/dbraw/zinc/95/43/82/489954382.db2.gz ZPEHUBIWJDFFEH-FUHWJXTLSA-N 2 0 374.485 0.214 20 0 FCADRP COCCOCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000564155667 491291364 /nfs/dbraw/zinc/29/13/64/491291364.db2.gz DYSUDZXGEFTBEF-MRXNPFEDSA-N 2 0 350.463 0.714 20 0 FCADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000420305635 489961921 /nfs/dbraw/zinc/96/19/21/489961921.db2.gz ZBKQUGHIKYTMDQ-MSOLQXFVSA-N 3 0 360.502 0.881 20 0 FCADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000420316985 489962243 /nfs/dbraw/zinc/96/22/43/489962243.db2.gz TYJFILULEWDLJG-IYBDPMFKSA-N 2 0 357.458 0.514 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000556066053 491291567 /nfs/dbraw/zinc/29/15/67/491291567.db2.gz UFYXBBPNVLWLLB-INIZCTEOSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373808 489968959 /nfs/dbraw/zinc/96/89/59/489968959.db2.gz NGWMVYBKGMRXKS-MJGOQNOKSA-N 2 0 352.523 0.535 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000420373299 489968987 /nfs/dbraw/zinc/96/89/87/489968987.db2.gz GAEANMIKSNDTRC-RYQLBKOJSA-N 2 0 352.523 0.757 20 0 FCADRP CC1(C)NC(=O)N(CCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000420390302 489970418 /nfs/dbraw/zinc/97/04/18/489970418.db2.gz ZHYVZAKOIIHIOJ-HUUCEWRRSA-N 2 0 352.479 0.925 20 0 FCADRP CC1(C)NC(=O)N(CCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000420390300 489970495 /nfs/dbraw/zinc/97/04/95/489970495.db2.gz ZHYVZAKOIIHIOJ-GJZGRUSLSA-N 2 0 352.479 0.925 20 0 FCADRP CS(=O)(=O)CC1CCC([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000556076441 491292028 /nfs/dbraw/zinc/29/20/28/491292028.db2.gz MQWQPKITCOACIG-HWOWSKLDSA-N 2 0 359.536 0.767 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000420392352 489971939 /nfs/dbraw/zinc/97/19/39/489971939.db2.gz PJSDUKOERWEDNN-RYQLBKOJSA-N 2 0 352.523 0.757 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420415562 489973218 /nfs/dbraw/zinc/97/32/18/489973218.db2.gz BCJDYTBNWDCNSU-IUODEOHRSA-N 2 0 357.524 0.809 20 0 FCADRP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000462409291 489974674 /nfs/dbraw/zinc/97/46/74/489974674.db2.gz RJQIJHLGEXSXRP-LJQANCHMSA-N 2 0 364.534 0.823 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000477617696 489977660 /nfs/dbraw/zinc/97/76/60/489977660.db2.gz SMSPAQQEZGWRMI-INIZCTEOSA-N 2 0 368.522 0.594 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000477619465 489978607 /nfs/dbraw/zinc/97/86/07/489978607.db2.gz XXQWHVJTJOCLPZ-UHFFFAOYSA-N 2 0 366.506 0.300 20 0 FCADRP COC(=O)c1ccc(OC)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420448394 489979017 /nfs/dbraw/zinc/97/90/17/489979017.db2.gz DSGUVSTVZLOANS-UHFFFAOYSA-N 2 0 359.448 0.170 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000477627516 489979180 /nfs/dbraw/zinc/97/91/80/489979180.db2.gz PQTUNKANLNRKBQ-UHFFFAOYSA-N 2 0 368.522 0.452 20 0 FCADRP CSC1(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC[NH+](C)CC1 ZINC000462509209 489979352 /nfs/dbraw/zinc/97/93/52/489979352.db2.gz IGMZGTOAMZACMW-UHFFFAOYSA-N 2 0 358.552 0.912 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000477626595 489979574 /nfs/dbraw/zinc/97/95/74/489979574.db2.gz LTPVDYPEJZEKCU-HZPDHXFCSA-N 2 0 354.495 0.202 20 0 FCADRP CC(C)C(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420461770 489981461 /nfs/dbraw/zinc/98/14/61/489981461.db2.gz URNNZSGSWHSXIW-UHFFFAOYSA-N 2 0 356.492 0.969 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000477650082 489981586 /nfs/dbraw/zinc/98/15/86/489981586.db2.gz XKYIOHRHISIOGZ-CQSZACIVSA-N 2 0 356.511 0.306 20 0 FCADRP COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420466236 489981838 /nfs/dbraw/zinc/98/18/38/489981838.db2.gz ZUBBJHNBTROVGY-UHFFFAOYSA-N 2 0 363.867 0.815 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420473206 489982683 /nfs/dbraw/zinc/98/26/83/489982683.db2.gz DGZZEINAJMKIJN-SWLSCSKDSA-N 2 0 357.524 0.667 20 0 FCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000477705995 489986600 /nfs/dbraw/zinc/98/66/00/489986600.db2.gz WSSGTSMSYMRLIC-UHFFFAOYSA-N 2 0 354.495 0.062 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000477968631 489998781 /nfs/dbraw/zinc/99/87/81/489998781.db2.gz VMALJDWHCYCTHK-JTDSTZFVSA-N 2 0 368.522 0.450 20 0 FCADRP [NH3+]CC1CC[NH+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000435388493 490000540 /nfs/dbraw/zinc/00/05/40/490000540.db2.gz FZPIUMHDYTZYOB-UHFFFAOYSA-N 2 0 353.488 0.878 20 0 FCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378132413 490014415 /nfs/dbraw/zinc/01/44/15/490014415.db2.gz QBUQGPFIQGGDSA-QGZVFWFLSA-N 2 0 361.490 0.418 20 0 FCADRP CC(C)[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](C)CC1 ZINC000564211658 491294552 /nfs/dbraw/zinc/29/45/52/491294552.db2.gz VKGVPAHFBLPAKI-CSLYMUCUSA-N 2 0 351.495 0.369 20 0 FCADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539486 490023710 /nfs/dbraw/zinc/02/37/10/490023710.db2.gz FKODEDWFXPYIHF-WBVHZDCISA-N 2 0 359.474 0.990 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1=O ZINC000378187284 490024688 /nfs/dbraw/zinc/02/46/88/490024688.db2.gz IMSXTZMELWXSQM-HZMVEIRTSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](C)CC1 ZINC000564211661 491294738 /nfs/dbraw/zinc/29/47/38/491294738.db2.gz VKGVPAHFBLPAKI-SWKXRBFHSA-N 2 0 351.495 0.369 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000420904512 490031025 /nfs/dbraw/zinc/03/10/25/490031025.db2.gz PXPYTFKDDSAMEI-DLBZAZTESA-N 2 0 368.522 0.308 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395846 490059172 /nfs/dbraw/zinc/05/91/72/490059172.db2.gz CDHAAGVIEPABTQ-IAGOWNOFSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCCC1 ZINC000479064480 490064480 /nfs/dbraw/zinc/06/44/80/490064480.db2.gz RMVMWWHAOPQKJM-OAHLLOKOSA-N 2 0 353.511 0.747 20 0 FCADRP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C ZINC000443054838 490064811 /nfs/dbraw/zinc/06/48/11/490064811.db2.gz ALFXWQBJGBCPFD-AWEZNQCLSA-N 2 0 368.503 0.902 20 0 FCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443061169 490065782 /nfs/dbraw/zinc/06/57/82/490065782.db2.gz RAQCYZOLSZBZBW-INIZCTEOSA-N 2 0 367.538 0.106 20 0 FCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000443057438 490065900 /nfs/dbraw/zinc/06/59/00/490065900.db2.gz GOYHCLZXMLKMKJ-INIZCTEOSA-N 2 0 350.507 0.908 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000571280977 491297683 /nfs/dbraw/zinc/29/76/83/491297683.db2.gz YKOBBBQFPSLYAF-INIZCTEOSA-N 2 0 372.473 0.901 20 0 FCADRP CC(C)[NH+](CCCNC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1)C(C)C ZINC000519859711 490099916 /nfs/dbraw/zinc/09/99/16/490099916.db2.gz MUJYKDCHJBMVNE-QGZVFWFLSA-N 2 0 370.538 0.791 20 0 FCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727327 490102180 /nfs/dbraw/zinc/10/21/80/490102180.db2.gz WMARJORJUTWQJS-PBHICJAKSA-N 2 0 356.536 0.388 20 0 FCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496327614 490114110 /nfs/dbraw/zinc/11/41/10/490114110.db2.gz MENZKGXSWYWQDF-UHFFFAOYSA-N 2 0 369.554 0.319 20 0 FCADRP COC(=O)c1nscc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532775492 490115481 /nfs/dbraw/zinc/11/54/81/490115481.db2.gz PBEAUKVSTMMUIS-UHFFFAOYSA-N 2 0 364.493 0.044 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000556174402 491300609 /nfs/dbraw/zinc/30/06/09/491300609.db2.gz KWOOOLDALSSJFU-DLBZAZTESA-N 2 0 368.522 0.452 20 0 FCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)o1 ZINC000571394916 491304547 /nfs/dbraw/zinc/30/45/47/491304547.db2.gz YRJDUNMGYYEBNO-HNNXBMFYSA-N 2 0 350.463 0.676 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477537 490123824 /nfs/dbraw/zinc/12/38/24/490123824.db2.gz OVDHCNPHQVPREB-INIZCTEOSA-N 2 0 353.511 0.570 20 0 FCADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000388418553 490133872 /nfs/dbraw/zinc/13/38/72/490133872.db2.gz PNLAMYCECOIYHD-GOSISDBHSA-N 2 0 358.486 0.837 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465915582 490150550 /nfs/dbraw/zinc/15/05/50/490150550.db2.gz AFENOTBQZIXZSD-KRWDZBQOSA-N 2 0 355.527 0.160 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465956936 490159056 /nfs/dbraw/zinc/15/90/56/490159056.db2.gz RCVWVFODBFIMNF-IKGGRYGDSA-N 2 0 367.538 0.993 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000446801192 490165286 /nfs/dbraw/zinc/16/52/86/490165286.db2.gz IKKKUQJIZHSSPI-GJZGRUSLSA-N 2 0 364.494 0.714 20 0 FCADRP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000466130777 490168322 /nfs/dbraw/zinc/16/83/22/490168322.db2.gz JBZHZGSLGLTKPC-QZTJIDSGSA-N 2 0 369.554 0.262 20 0 FCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)CC1 ZINC000422123665 490175482 /nfs/dbraw/zinc/17/54/82/490175482.db2.gz YLNZORBWLIEKBV-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000446998378 490181285 /nfs/dbraw/zinc/18/12/85/490181285.db2.gz DJSFPMRKUWDKPI-IEBWSBKVSA-N 2 0 357.539 0.889 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248450 491306138 /nfs/dbraw/zinc/30/61/38/491306138.db2.gz ZZHWFBQXTRLERC-DLBZAZTESA-N 2 0 362.518 0.777 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676577 490192618 /nfs/dbraw/zinc/19/26/18/490192618.db2.gz IIDKKTAWMFBRMN-QZTJIDSGSA-N 2 0 367.538 0.112 20 0 FCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000571418784 491306552 /nfs/dbraw/zinc/30/65/52/491306552.db2.gz NNJZABZOMPKREG-RBUKOAKNSA-N 2 0 359.518 0.848 20 0 FCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000571428368 491307574 /nfs/dbraw/zinc/30/75/74/491307574.db2.gz IBRKCMHRNWRQCF-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000520987704 490211686 /nfs/dbraw/zinc/21/16/86/490211686.db2.gz HDJYDYYMJBHKMH-DLBZAZTESA-N 2 0 355.527 0.014 20 0 FCADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000447439926 490235441 /nfs/dbraw/zinc/23/54/41/490235441.db2.gz JJAVEHJPHDHJEZ-QGZVFWFLSA-N 2 0 362.474 0.729 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000546747586 490242214 /nfs/dbraw/zinc/24/22/14/490242214.db2.gz GCWRZDLQRLRDBO-UHFFFAOYSA-N 2 0 356.511 0.851 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000521273831 490243441 /nfs/dbraw/zinc/24/34/41/490243441.db2.gz IEQDTCNEIWSYQF-OALUTQOASA-N 2 0 372.513 0.878 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000556363070 491311833 /nfs/dbraw/zinc/31/18/33/491311833.db2.gz SASKFLRXNADZGZ-ULQDDVLXSA-N 2 0 350.507 0.920 20 0 FCADRP CO[C@@H]1COC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000571518978 491312819 /nfs/dbraw/zinc/31/28/19/491312819.db2.gz OFIKWDJTQAGFDE-IAGOWNOFSA-N 2 0 363.462 0.307 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344039 490269362 /nfs/dbraw/zinc/26/93/62/490269362.db2.gz USASOMCAOFDZBE-SJORKVTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000521875333 490306382 /nfs/dbraw/zinc/30/63/82/490306382.db2.gz ZTQHVQOESDPLJN-CHWSQXEVSA-N 2 0 350.467 0.720 20 0 FCADRP NC(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000498523057 490307121 /nfs/dbraw/zinc/30/71/21/490307121.db2.gz OWUZCAWIBXAVQB-UHFFFAOYSA-N 2 0 368.441 0.518 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897327 490308790 /nfs/dbraw/zinc/30/87/90/490308790.db2.gz BGJMKTBTVMGNDH-WBVHZDCISA-N 2 0 361.490 0.476 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000422426802 490311016 /nfs/dbraw/zinc/31/10/16/490311016.db2.gz BVIUHFZYOFQRQD-SFHVURJKSA-N 2 0 360.502 0.960 20 0 FCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000483405680 490315421 /nfs/dbraw/zinc/31/54/21/490315421.db2.gz VVBGHCZUKLZDDF-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000483433122 490316933 /nfs/dbraw/zinc/31/69/33/490316933.db2.gz XVOCNAQZPXQVKN-HOTGVXAUSA-N 2 0 368.522 0.545 20 0 FCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000448325506 490333909 /nfs/dbraw/zinc/33/39/09/490333909.db2.gz PVUQWQHLYLFDDP-HNNXBMFYSA-N 2 0 370.457 1.442 20 0 FCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCCC[C@H]1C ZINC000448488091 490356675 /nfs/dbraw/zinc/35/66/75/490356675.db2.gz OTQKWBWVVRCSKX-HUUCEWRRSA-N 2 0 364.494 0.762 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000409626145 490357262 /nfs/dbraw/zinc/35/72/62/490357262.db2.gz QNKWDFMMLDWUKX-SJORKVTESA-N 2 0 351.495 0.982 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1COCCO1 ZINC000522329562 490370007 /nfs/dbraw/zinc/37/00/07/490370007.db2.gz RGLRIXCOMBGTLL-QGZVFWFLSA-N 2 0 363.462 0.308 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000498961907 490373891 /nfs/dbraw/zinc/37/38/91/490373891.db2.gz IWWHIQNGQLRTOS-QGZVFWFLSA-N 2 0 366.506 0.324 20 0 FCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000498966763 490374303 /nfs/dbraw/zinc/37/43/03/490374303.db2.gz FKOMTHUODDTRIO-MSOLQXFVSA-N 2 0 369.554 0.501 20 0 FCADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564725748 491322736 /nfs/dbraw/zinc/32/27/36/491322736.db2.gz FDROJLJGPZFYNC-AEFFLSMTSA-N 2 0 373.501 0.182 20 0 FCADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000422539368 490393734 /nfs/dbraw/zinc/39/37/34/490393734.db2.gz KEFXUGZEFDUBIU-QGZVFWFLSA-N 2 0 358.486 0.733 20 0 FCADRP COC(=O)Cn1cc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000449107902 490401511 /nfs/dbraw/zinc/40/15/11/490401511.db2.gz OUXCLXNWMQHAFQ-UHFFFAOYSA-N 2 0 373.461 0.148 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1F ZINC000411237622 490408573 /nfs/dbraw/zinc/40/85/73/490408573.db2.gz BDLATPAHEMRWGL-UHFFFAOYSA-N 2 0 366.437 0.917 20 0 FCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000449350391 490411278 /nfs/dbraw/zinc/41/12/78/490411278.db2.gz ZBPBDKVMQPHMIB-ZTFGCOKTSA-N 2 0 358.486 0.856 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000509358723 490418897 /nfs/dbraw/zinc/41/88/97/490418897.db2.gz PHTNINHORDFVSB-UHFFFAOYSA-N 2 0 353.511 0.668 20 0 FCADRP CC(C)(CC[NH3+])NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422591202 490420155 /nfs/dbraw/zinc/42/01/55/490420155.db2.gz CAYBHFNZWLYHAK-UHFFFAOYSA-N 2 0 363.510 0.805 20 0 FCADRP [NH3+]CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(F)(F)F ZINC000449724411 490426286 /nfs/dbraw/zinc/42/62/86/490426286.db2.gz GWQUMSMVTWDBIT-CYBMUJFWSA-N 2 0 359.396 0.990 20 0 FCADRP 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 ZINC000449844436 490432381 /nfs/dbraw/zinc/43/23/81/490432381.db2.gz WIWKPBTUIRLJSN-UYTYNIKBSA-N 2 0 364.534 0.974 20 0 FCADRP CC1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000449844435 490432891 /nfs/dbraw/zinc/43/28/91/490432891.db2.gz WIWKPBTUIRLJSN-BRSBDYLESA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556663590 491326344 /nfs/dbraw/zinc/32/63/44/491326344.db2.gz HSWSTISSJSTTRC-HNNXBMFYSA-N 2 0 364.490 0.391 20 0 FCADRP CN1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000564787483 491326335 /nfs/dbraw/zinc/32/63/35/491326335.db2.gz YCEOMZCOVGFUGJ-RTBURBONSA-N 2 0 374.533 0.259 20 0 FCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000422642573 490440052 /nfs/dbraw/zinc/44/00/52/490440052.db2.gz ZPPDKJIPFBEKMO-ZACQAIPSSA-N 2 0 360.506 0.821 20 0 FCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000422642572 490440218 /nfs/dbraw/zinc/44/02/18/490440218.db2.gz ZPPDKJIPFBEKMO-IXDOHACOSA-N 2 0 360.506 0.821 20 0 FCADRP C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000571778345 491328642 /nfs/dbraw/zinc/32/86/42/491328642.db2.gz JVFGESOPPMWSKQ-CVEARBPZSA-N 2 0 363.437 0.211 20 0 FCADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nn1 ZINC000564796518 491327209 /nfs/dbraw/zinc/32/72/09/491327209.db2.gz MLPOPRZIRLGVAL-QGZVFWFLSA-N 2 0 356.474 0.921 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000509711099 490454238 /nfs/dbraw/zinc/45/42/38/490454238.db2.gz AGNMQQKNEFCZIJ-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000535097781 490455573 /nfs/dbraw/zinc/45/55/73/490455573.db2.gz YFNBQJMJSNAZIP-CVEARBPZSA-N 2 0 359.536 0.827 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000509727508 490458377 /nfs/dbraw/zinc/45/83/77/490458377.db2.gz ZHPLIQKMIAMFDX-MRXNPFEDSA-N 2 0 354.495 0.158 20 0 FCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422709174 490461940 /nfs/dbraw/zinc/46/19/40/490461940.db2.gz JXFDLAGHTVSXBA-OALUTQOASA-N 2 0 360.502 0.817 20 0 FCADRP C[C@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422716719 490464214 /nfs/dbraw/zinc/46/42/14/490464214.db2.gz VESBPENEUIWMER-MRXNPFEDSA-N 2 0 369.535 0.641 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000468949814 490467443 /nfs/dbraw/zinc/46/74/43/490467443.db2.gz IVWJYCAODQUDGG-INIZCTEOSA-N 2 0 366.506 0.478 20 0 FCADRP 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 ZINC000450517161 490471363 /nfs/dbraw/zinc/47/13/63/490471363.db2.gz DZLXKXGQCNLFCK-BRSBDYLESA-N 2 0 364.534 0.689 20 0 FCADRP Cn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000500026570 490478759 /nfs/dbraw/zinc/47/87/59/490478759.db2.gz PWOPPECHXOWCQS-UHFFFAOYSA-N 2 0 355.442 0.722 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422840012 490483223 /nfs/dbraw/zinc/48/32/23/490483223.db2.gz RXHJVNOKNOSGSB-DOTOQJQBSA-N 2 0 368.522 0.496 20 0 FCADRP CCOC(=O)C1([C@H](C)[NH2+]CCS(=O)(=O)N(CC)CC)CC[NH2+]CC1 ZINC000422862244 490488238 /nfs/dbraw/zinc/48/82/38/490488238.db2.gz PMOUZZLZMPJYFM-AWEZNQCLSA-N 2 0 363.524 0.569 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804353 491330534 /nfs/dbraw/zinc/33/05/34/491330534.db2.gz OMXZTDSTRXFUMH-NVXWUHKLSA-N 2 0 350.507 0.633 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000422906468 490494202 /nfs/dbraw/zinc/49/42/02/490494202.db2.gz JUUQTVDDBUEGFR-IAGOWNOFSA-N 2 0 362.474 0.361 20 0 FCADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000523914466 490503430 /nfs/dbraw/zinc/50/34/30/490503430.db2.gz HDXWNDQGJZGMOF-MRXNPFEDSA-N 2 0 353.511 0.713 20 0 FCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)CC[NH2+]CC1 ZINC000422982405 490510366 /nfs/dbraw/zinc/51/03/66/490510366.db2.gz WOZNAUWZTKCVKG-QGZVFWFLSA-N 3 0 354.539 0.925 20 0 FCADRP CCN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423062627 490533061 /nfs/dbraw/zinc/53/30/61/490533061.db2.gz UOLGZDMNSDDYMZ-MSOLQXFVSA-N 2 0 374.485 0.296 20 0 FCADRP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423063672 490533212 /nfs/dbraw/zinc/53/32/12/490533212.db2.gz XCFAVCCVUXONEE-QYZOEREBSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000423062065 490533279 /nfs/dbraw/zinc/53/32/79/490533279.db2.gz SFYLNYIWGLPTMC-QGZVFWFLSA-N 2 0 350.507 0.779 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423066254 490535308 /nfs/dbraw/zinc/53/53/08/490535308.db2.gz DGWGQGDMBGDMRM-DOTOQJQBSA-N 2 0 362.449 0.633 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000571872473 491334100 /nfs/dbraw/zinc/33/41/00/491334100.db2.gz DZOOJFMIWSGETF-JFIYKMOQSA-N 2 0 358.486 0.915 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485798182 490559087 /nfs/dbraw/zinc/55/90/87/490559087.db2.gz ZGAXMTONSGEUOW-KRWDZBQOSA-N 2 0 369.473 0.992 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485801453 490559371 /nfs/dbraw/zinc/55/93/71/490559371.db2.gz ZSCJUYLORJMRCR-QGZVFWFLSA-N 2 0 369.473 0.992 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485819465 490561193 /nfs/dbraw/zinc/56/11/93/490561193.db2.gz MMOWAZLHBNNLSF-INIZCTEOSA-N 2 0 363.510 0.350 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524794357 490561381 /nfs/dbraw/zinc/56/13/81/490561381.db2.gz PRPOCNTZVODEBR-OAQYLSRUSA-N 2 0 374.529 0.767 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830068 490562513 /nfs/dbraw/zinc/56/25/13/490562513.db2.gz MTJOQLDZGABUSO-HZPDHXFCSA-N 2 0 363.510 0.206 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000524913344 490569410 /nfs/dbraw/zinc/56/94/10/490569410.db2.gz LOGNNOJBJBCQMW-UHFFFAOYSA-N 2 0 362.474 0.302 20 0 FCADRP CC(C)NC(=O)CN1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000501075120 490576391 /nfs/dbraw/zinc/57/63/91/490576391.db2.gz ALFHTPKINPCNBG-UHFFFAOYSA-N 2 0 353.555 0.545 20 0 FCADRP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC[N@@H+]1CCOC ZINC000501070877 490576791 /nfs/dbraw/zinc/57/67/91/490576791.db2.gz FKMYPRWYUYFLDT-SJORKVTESA-N 2 0 356.511 0.849 20 0 FCADRP C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179861 490582916 /nfs/dbraw/zinc/58/29/16/490582916.db2.gz DXQZTOYAQKOTSC-PXNSSMCTSA-N 2 0 360.502 0.376 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958134 491339773 /nfs/dbraw/zinc/33/97/73/491339773.db2.gz JARNTSJVCMFVDJ-RHSMWYFYSA-N 2 0 362.474 0.769 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000501600499 490620656 /nfs/dbraw/zinc/62/06/56/490620656.db2.gz SRGNEVKQSAVBHX-MRXNPFEDSA-N 2 0 368.522 0.450 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501610648 490622747 /nfs/dbraw/zinc/62/27/47/490622747.db2.gz FFOHCDOPIAMFLF-INIZCTEOSA-N 2 0 354.495 0.062 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815067 490636018 /nfs/dbraw/zinc/63/60/18/490636018.db2.gz FOOFZCPSOMHQNA-HZPDHXFCSA-N 2 0 353.511 0.603 20 0 FCADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000525884237 490645810 /nfs/dbraw/zinc/64/58/10/490645810.db2.gz HHXLVOITSIGUGQ-UHFFFAOYSA-N 2 0 371.507 0.600 20 0 FCADRP COCCO[C@@H]1C[C@H](CO)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848917 490647554 /nfs/dbraw/zinc/64/75/54/490647554.db2.gz HQSOZRSZAOARAS-RBUKOAKNSA-N 2 0 357.539 0.748 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000486767840 490668703 /nfs/dbraw/zinc/66/87/03/490668703.db2.gz DUUXGNUVFHFQAZ-UHFFFAOYSA-N 2 0 362.518 0.868 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771162 490670231 /nfs/dbraw/zinc/67/02/31/490670231.db2.gz KWVOUHBZDWWALI-GOEBONIOSA-N 2 0 352.523 0.927 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486817836 490674236 /nfs/dbraw/zinc/67/42/36/490674236.db2.gz ICOADIYTCKXIEZ-PJOUBLGMSA-N 2 0 364.534 0.925 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000526134372 490678120 /nfs/dbraw/zinc/67/81/20/490678120.db2.gz XLHWOTLCYBEIID-UHFFFAOYSA-N 2 0 351.451 0.508 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000526133801 490678723 /nfs/dbraw/zinc/67/87/23/490678723.db2.gz SLZABUDPOBMCPV-UHFFFAOYSA-N 2 0 357.480 0.291 20 0 FCADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550605893 490680447 /nfs/dbraw/zinc/68/04/47/490680447.db2.gz HVMOIHGSALGWET-SFHVURJKSA-N 2 0 366.531 0.939 20 0 FCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943022 490681532 /nfs/dbraw/zinc/68/15/32/490681532.db2.gz WVPMMRBHSREMSY-JQHSSLGASA-N 2 0 360.502 0.589 20 0 FCADRP CCO[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487012311 490686774 /nfs/dbraw/zinc/68/67/74/490686774.db2.gz AQNFHKSXGFNUNM-VIQHNZTISA-N 2 0 368.522 0.019 20 0 FCADRP C[NH+]1CCC(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512601891 490690208 /nfs/dbraw/zinc/69/02/08/490690208.db2.gz KWJNDMNDGKVYCA-UHFFFAOYSA-N 2 0 355.527 0.018 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512806732 490699554 /nfs/dbraw/zinc/69/95/54/490699554.db2.gz AVXBKCGWPWZIBG-KRWDZBQOSA-N 2 0 355.527 0.112 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000557001612 491348585 /nfs/dbraw/zinc/34/85/85/491348585.db2.gz UPIHXHPWQYSVJI-NVXWUHKLSA-N 2 0 366.506 0.299 20 0 FCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000502836132 490723812 /nfs/dbraw/zinc/72/38/12/490723812.db2.gz NYKQTJFMCZYTIQ-SYMSYNOKSA-N 2 0 354.495 0.012 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000557026242 491350095 /nfs/dbraw/zinc/35/00/95/491350095.db2.gz YTZGFUDQHJZLFL-CQSZACIVSA-N 2 0 356.511 0.448 20 0 FCADRP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487710391 490727266 /nfs/dbraw/zinc/72/72/66/490727266.db2.gz QPLJBGLRWZWKOU-AVEIZBFRSA-N 2 0 366.550 0.981 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513463273 490731057 /nfs/dbraw/zinc/73/10/57/490731057.db2.gz KTZKBKIOUZDAHM-HNNXBMFYSA-N 2 0 370.538 0.648 20 0 FCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000503253741 490748047 /nfs/dbraw/zinc/74/80/47/490748047.db2.gz USIMJYULAQVZEI-OAHLLOKOSA-N 2 0 362.474 0.976 20 0 FCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000488579135 490765225 /nfs/dbraw/zinc/76/52/25/490765225.db2.gz PPJCSHYINAZFNN-XDCWJTEKSA-N 2 0 364.534 0.737 20 0 FCADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000488579131 490765246 /nfs/dbraw/zinc/76/52/46/490765246.db2.gz PPJCSHYINAZFNN-BAPGRXHISA-N 2 0 364.534 0.737 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@H]1C ZINC000514816669 490790495 /nfs/dbraw/zinc/79/04/95/490790495.db2.gz LHOYKRGTUSEQKS-HDEZJCGLSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504331220 490795643 /nfs/dbraw/zinc/79/56/43/490795643.db2.gz GGHRWSLKNTZMIC-KRWDZBQOSA-N 2 0 362.522 0.791 20 0 FCADRP COCC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000514925043 490798113 /nfs/dbraw/zinc/79/81/13/490798113.db2.gz AHZQKPAWNARSSE-KRWDZBQOSA-N 2 0 368.522 0.756 20 0 FCADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000514977690 490801414 /nfs/dbraw/zinc/80/14/14/490801414.db2.gz ZNIDKNRMRGCDHX-MRXNPFEDSA-N 2 0 365.478 0.322 20 0 FCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604907 490811909 /nfs/dbraw/zinc/81/19/09/490811909.db2.gz PGQZTFDVLXBULT-DSLXNQLJSA-N 2 0 361.486 0.298 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000515220038 490814116 /nfs/dbraw/zinc/81/41/16/490814116.db2.gz NQMNUQYIGPMKNE-QGZVFWFLSA-N 2 0 368.522 0.596 20 0 FCADRP CN1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)[C@H](C[NH3+])C1 ZINC000557183147 491358376 /nfs/dbraw/zinc/35/83/76/491358376.db2.gz SKQGSAVBCVUCME-GFCCVEGCSA-N 2 0 361.368 0.764 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000540573661 490828678 /nfs/dbraw/zinc/82/86/78/490828678.db2.gz ZFONMPPYVTZEAW-MRXNPFEDSA-N 2 0 351.495 0.490 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498643 490829318 /nfs/dbraw/zinc/82/93/18/490829318.db2.gz AEGQXLCOPCQNHN-CZUORRHYSA-N 2 0 356.426 0.307 20 0 FCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](C)C1 ZINC000557193855 491358797 /nfs/dbraw/zinc/35/87/97/491358797.db2.gz SAIOFCULGLVUHV-IKGGRYGDSA-N 3 0 355.527 0.408 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515673284 490835160 /nfs/dbraw/zinc/83/51/60/490835160.db2.gz SWRNKXRCKRQUGH-OAGGEKHMSA-N 2 0 351.495 0.450 20 0 FCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515673286 490835974 /nfs/dbraw/zinc/83/59/74/490835974.db2.gz SWRNKXRCKRQUGH-PMPSAXMXSA-N 2 0 351.495 0.450 20 0 FCADRP [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000515855650 490841024 /nfs/dbraw/zinc/84/10/24/490841024.db2.gz JOFFDOGTGGTDJF-GOSISDBHSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000540965235 490842909 /nfs/dbraw/zinc/84/29/09/490842909.db2.gz QEDUESPIVWBSME-OAHLLOKOSA-N 2 0 365.522 0.879 20 0 FCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000529332820 490853896 /nfs/dbraw/zinc/85/38/96/490853896.db2.gz WTHGBLGVEKXOOI-MRXNPFEDSA-N 2 0 362.474 0.947 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000516263432 490858716 /nfs/dbraw/zinc/85/87/16/490858716.db2.gz NMYCJVIXRUPKKJ-PBHICJAKSA-N 2 0 362.474 0.611 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CC1 ZINC000541663937 490868530 /nfs/dbraw/zinc/86/85/30/490868530.db2.gz JDSDRRJAKOKPDJ-GOSISDBHSA-N 2 0 369.550 0.892 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000557255086 491363071 /nfs/dbraw/zinc/36/30/71/491363071.db2.gz RSWOLVFOBWIYIV-BRWVUGGUSA-N 2 0 365.522 0.605 20 0 FCADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000516857399 490881055 /nfs/dbraw/zinc/88/10/55/490881055.db2.gz GPCJNYSORMSXGF-HXUWFJFHSA-N 2 0 356.470 0.589 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000542196600 490888832 /nfs/dbraw/zinc/88/88/32/490888832.db2.gz MWXYBBBFKOZVLU-NZSAHSFTSA-N 2 0 361.486 0.706 20 0 FCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NCC1CC[NH2+]CC1 ZINC000517020126 490890981 /nfs/dbraw/zinc/89/09/81/490890981.db2.gz JQUMMRJNSDRDKB-LJQANCHMSA-N 2 0 372.513 0.783 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000565202352 491359862 /nfs/dbraw/zinc/35/98/62/491359862.db2.gz AJQMFDVTQQHQNM-UHFFFAOYSA-N 2 0 364.494 0.167 20 0 FCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530238433 490895225 /nfs/dbraw/zinc/89/52/25/490895225.db2.gz AEJCRHNCKPIOFJ-QZTJIDSGSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517341407 490904788 /nfs/dbraw/zinc/90/47/88/490904788.db2.gz LXENKAVQLQMOLP-QGZVFWFLSA-N 2 0 367.538 0.567 20 0 FCADRP C[C@H]1CN(C)CCN1C(=O)CCSCCC(=O)N1CCN(C)C[C@@H]1C ZINC000517555842 490911337 /nfs/dbraw/zinc/91/13/37/490911337.db2.gz DXGISVWPZQHOFO-HOTGVXAUSA-N 2 0 370.563 0.825 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000517703893 490917000 /nfs/dbraw/zinc/91/70/00/490917000.db2.gz VLIRTWVLKUAKMK-DLBZAZTESA-N 2 0 365.522 0.666 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000517703897 490917282 /nfs/dbraw/zinc/91/72/82/490917282.db2.gz VLIRTWVLKUAKMK-IRXDYDNUSA-N 2 0 365.522 0.666 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC000517879359 490923360 /nfs/dbraw/zinc/92/33/60/490923360.db2.gz GYTAUBYMOORJNM-UHFFFAOYSA-N 2 0 360.466 0.502 20 0 FCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966321 490926807 /nfs/dbraw/zinc/92/68/07/490926807.db2.gz VXZGMGHKEJAHLC-ZWKOTPCHSA-N 2 0 371.485 0.388 20 0 FCADRP CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218828 490933630 /nfs/dbraw/zinc/93/36/30/490933630.db2.gz MXBKPAAWMIZOSD-GVDBMIGSSA-N 2 0 365.522 0.696 20 0 FCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000518290139 490935919 /nfs/dbraw/zinc/93/59/19/490935919.db2.gz BBLXNBBNGOQTCY-INIZCTEOSA-N 2 0 367.538 0.959 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000518290106 490936171 /nfs/dbraw/zinc/93/61/71/490936171.db2.gz AELBEOFBPNZADV-QGZVFWFLSA-N 2 0 365.522 0.809 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054879 490938392 /nfs/dbraw/zinc/93/83/92/490938392.db2.gz XFQKTRZHEQWUNN-PXNSSMCTSA-N 2 0 374.485 0.079 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)CC1 ZINC000531838327 490976405 /nfs/dbraw/zinc/97/64/05/490976405.db2.gz XRYTUPIMJQWHRC-ROUUACIJSA-N 2 0 366.554 0.042 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000544692040 490976940 /nfs/dbraw/zinc/97/69/40/490976940.db2.gz CXCQRNFICWQBOC-UHFFFAOYSA-N 2 0 361.490 0.607 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000553956627 491166613 /nfs/dbraw/zinc/16/66/13/491166613.db2.gz KLFQDZXNIRPZKB-HUUCEWRRSA-N 2 0 368.522 0.591 20 0 FCADRP CN(c1ccccc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000562521211 491171192 /nfs/dbraw/zinc/17/11/92/491171192.db2.gz PDDDYUKWLZDSQC-CALCHBBNSA-N 2 0 356.470 0.921 20 0 FCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000562689476 491181258 /nfs/dbraw/zinc/18/12/58/491181258.db2.gz DEESTBWGXADLEA-INIZCTEOSA-N 2 0 364.515 0.945 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557381443 491371352 /nfs/dbraw/zinc/37/13/52/491371352.db2.gz QXZBJMMBKCCHNR-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000557381294 491371763 /nfs/dbraw/zinc/37/17/63/491371763.db2.gz IWZGBOBPAQHTOG-HOTGVXAUSA-N 2 0 368.522 0.545 20 0 FCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372199 491372583 /nfs/dbraw/zinc/37/25/83/491372583.db2.gz JADKKFSOYBGPCR-CVEARBPZSA-N 2 0 351.495 0.596 20 0 FCADRP COc1ccc([C@H](CNC(=O)C[NH2+]C(CO)CO)[NH+]2CCCCC2)cc1 ZINC000572494239 491374092 /nfs/dbraw/zinc/37/40/92/491374092.db2.gz OKALKYHUHNFFGO-SFHVURJKSA-N 2 0 365.474 0.281 20 0 FCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419901 491375515 /nfs/dbraw/zinc/37/55/15/491375515.db2.gz LPFGMRVZKCZGDE-JMSVASOKSA-N 2 0 366.428 0.471 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@H]2C)CC1=O ZINC000565439908 491377063 /nfs/dbraw/zinc/37/70/63/491377063.db2.gz XIJTVIAXRIIDFI-ZACQAIPSSA-N 2 0 350.507 0.872 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000572620983 491382113 /nfs/dbraw/zinc/38/21/13/491382113.db2.gz WNMOUCHNJHAEGZ-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000572620981 491382137 /nfs/dbraw/zinc/38/21/37/491382137.db2.gz WNMOUCHNJHAEGZ-GVDBMIGSSA-N 2 0 362.518 0.968 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000565655676 491391571 /nfs/dbraw/zinc/39/15/71/491391571.db2.gz VYGORHQPBQUWTK-HOTGVXAUSA-N 2 0 363.506 0.710 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000572838778 491396686 /nfs/dbraw/zinc/39/66/86/491396686.db2.gz MIZHWYIEBAJPGR-HNNXBMFYSA-N 2 0 364.494 0.603 20 0 FCADRP C[NH+](C)CCCOC1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000572838779 491396788 /nfs/dbraw/zinc/39/67/88/491396788.db2.gz MIZHWYIEBAJPGR-OAHLLOKOSA-N 2 0 364.494 0.603 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000557766266 491397246 /nfs/dbraw/zinc/39/72/46/491397246.db2.gz CADNHJDUHJBHGP-INIZCTEOSA-N 2 0 366.506 0.300 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000565754112 491397908 /nfs/dbraw/zinc/39/79/08/491397908.db2.gz VKLJMMNGRHGRII-QRVBRYPASA-N 2 0 356.555 0.416 20 0 FCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668361785 493340314 /nfs/dbraw/zinc/34/03/14/493340314.db2.gz JRFCWVCAYCGQBS-LJQANCHMSA-N 2 0 372.513 0.972 20 0 FCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000573075010 491410529 /nfs/dbraw/zinc/41/05/29/491410529.db2.gz SBTMXHNQGGLWPO-KKUMJFAQSA-N 2 0 369.510 0.863 20 0 FCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[N@H+](C)[C@H]3CCSC3)CC2)C1=O ZINC000566137547 491420037 /nfs/dbraw/zinc/42/00/37/491420037.db2.gz YNYLROUGYRRGSD-GJZGRUSLSA-N 2 0 354.520 0.235 20 0 FCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000558359728 491427238 /nfs/dbraw/zinc/42/72/38/491427238.db2.gz ITEPIPMGFLXVPD-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373079 493342458 /nfs/dbraw/zinc/34/24/58/493342458.db2.gz YBKLACKYESBEIP-QZTJIDSGSA-N 2 0 358.486 0.978 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000566396677 491440785 /nfs/dbraw/zinc/44/07/85/491440785.db2.gz FDYSPMWLZIVLNH-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000573578655 491442240 /nfs/dbraw/zinc/44/22/40/491442240.db2.gz FZYVDPHSMJMGIL-IAGOWNOFSA-N 2 0 359.474 0.462 20 0 FCADRP C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000573578657 491442301 /nfs/dbraw/zinc/44/23/01/491442301.db2.gz FZYVDPHSMJMGIL-SJORKVTESA-N 2 0 359.474 0.462 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(c2cc(N3CC[C@H](C[NH+](C)C)C3)nc3ncnn32)C1 ZINC000558939142 491449276 /nfs/dbraw/zinc/44/92/76/491449276.db2.gz UEVLBCHMQOSJBE-CVEARBPZSA-N 2 0 372.521 0.900 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000573826763 491457476 /nfs/dbraw/zinc/45/74/76/491457476.db2.gz JVDILEDCYOBGPV-INIZCTEOSA-N 2 0 354.495 0.015 20 0 FCADRP COC[C@]1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000573833828 491457904 /nfs/dbraw/zinc/45/79/04/491457904.db2.gz BQZZAJGSAPRSIC-IBGZPJMESA-N 2 0 362.474 0.535 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566728278 491462682 /nfs/dbraw/zinc/46/26/82/491462682.db2.gz VHPIWHHZRUBSCW-IAGOWNOFSA-N 2 0 359.474 0.634 20 0 FCADRP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000566732524 491463167 /nfs/dbraw/zinc/46/31/67/491463167.db2.gz ATBXAVQLZLQCJG-IRXDYDNUSA-N 2 0 365.474 0.438 20 0 FCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573932096 491463685 /nfs/dbraw/zinc/46/36/85/491463685.db2.gz BWTSMMYWRJLQEQ-HZPDHXFCSA-N 2 0 368.547 0.660 20 0 FCADRP CCC(CC)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000566786448 491466422 /nfs/dbraw/zinc/46/64/22/491466422.db2.gz LDEXUMYLBITSOY-INIZCTEOSA-N 2 0 353.511 0.618 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000559362653 491467405 /nfs/dbraw/zinc/46/74/05/491467405.db2.gz DMTUUHPMJMQMJS-UHFFFAOYSA-N 2 0 356.511 0.450 20 0 FCADRP CN1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)([NH+]2CCCCC2)CC1 ZINC000566845212 491470330 /nfs/dbraw/zinc/47/03/30/491470330.db2.gz AIOPMFZDVYALAN-KRWDZBQOSA-N 2 0 366.554 0.140 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000559405678 491470502 /nfs/dbraw/zinc/47/05/02/491470502.db2.gz OPMUMZKEOZMLAC-NXHRZFHOSA-N 2 0 358.486 0.976 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000559445302 491473992 /nfs/dbraw/zinc/47/39/92/491473992.db2.gz DCZSVFRWSAQIDC-IRXDYDNUSA-N 2 0 350.507 0.777 20 0 FCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000559445301 491474230 /nfs/dbraw/zinc/47/42/30/491474230.db2.gz DCZSVFRWSAQIDC-IAGOWNOFSA-N 2 0 350.507 0.777 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000566987474 491479799 /nfs/dbraw/zinc/47/97/99/491479799.db2.gz YBBZJRSDKAQEHY-BBWFWOEESA-N 2 0 366.506 0.012 20 0 FCADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000574321464 491489027 /nfs/dbraw/zinc/48/90/27/491489027.db2.gz FHETUTCNODJBSW-QGZVFWFLSA-N 2 0 362.518 0.921 20 0 FCADRP CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567165133 491489523 /nfs/dbraw/zinc/48/95/23/491489523.db2.gz OPYFIARUUIKUTA-HNNXBMFYSA-N 2 0 362.474 0.697 20 0 FCADRP CC1(C)CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000574392388 491492860 /nfs/dbraw/zinc/49/28/60/491492860.db2.gz UKTHJQJBQNWWOL-UHFFFAOYSA-N 2 0 358.486 0.931 20 0 FCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2ccnc12 ZINC000559795783 491500442 /nfs/dbraw/zinc/50/04/42/491500442.db2.gz GYHRZYJYPFZROV-UHFFFAOYSA-N 2 0 360.462 0.533 20 0 FCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000559834737 491503789 /nfs/dbraw/zinc/50/37/89/491503789.db2.gz IHNCKXOUKWNPGY-UHFFFAOYSA-N 2 0 367.538 0.073 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559864285 491506212 /nfs/dbraw/zinc/50/62/12/491506212.db2.gz HVPGKAYGXVDEID-RVKKMQEKSA-N 2 0 368.547 0.625 20 0 FCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868906 491506997 /nfs/dbraw/zinc/50/69/97/491506997.db2.gz YDYDMRDURGHKFN-CKEIUWERSA-N 2 0 356.536 0.339 20 0 FCADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567481336 491508904 /nfs/dbraw/zinc/50/89/04/491508904.db2.gz OQXRUJPURQOZHX-IXDOHACOSA-N 2 0 374.485 0.311 20 0 FCADRP COC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496286 491510029 /nfs/dbraw/zinc/51/00/29/491510029.db2.gz VAXMFPCUGPYXJD-OXJNMPFZSA-N 2 0 374.485 0.949 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H]1c1cccc(F)c1 ZINC000574637210 491510076 /nfs/dbraw/zinc/51/00/76/491510076.db2.gz TXAQGYJLFDTZNG-OWCLPIDISA-N 2 0 358.421 0.736 20 0 FCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560021426 491515660 /nfs/dbraw/zinc/51/56/60/491515660.db2.gz AFDNCNNAWCTCLW-DLBZAZTESA-N 2 0 350.507 0.920 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000567594399 491516197 /nfs/dbraw/zinc/51/61/97/491516197.db2.gz TURJDYGKHIQXFJ-ROUUACIJSA-N 2 0 372.517 0.974 20 0 FCADRP CO[C@]1(C)C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000574792633 491520668 /nfs/dbraw/zinc/52/06/68/491520668.db2.gz BNJYEMSRZSUCLO-KBXCAEBGSA-N 2 0 356.511 0.258 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574868563 491524714 /nfs/dbraw/zinc/52/47/14/491524714.db2.gz BSJDARANXJNLCJ-MRXNPFEDSA-N 2 0 350.507 0.921 20 0 FCADRP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567735714 491525957 /nfs/dbraw/zinc/52/59/57/491525957.db2.gz QREKHGNARIOBHR-BZSNNMDCSA-N 2 0 358.486 0.950 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567754803 491527431 /nfs/dbraw/zinc/52/74/31/491527431.db2.gz SHKWRLLVQKURMR-QZTJIDSGSA-N 2 0 360.502 0.861 20 0 FCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804692 491530702 /nfs/dbraw/zinc/53/07/02/491530702.db2.gz URZKLSIBRUZETG-CABCVRRESA-N 2 0 350.467 0.025 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583402 493348725 /nfs/dbraw/zinc/34/87/25/493348725.db2.gz LDVDVPTZSDSFGR-DLBZAZTESA-N 2 0 368.522 0.329 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000574987353 491531620 /nfs/dbraw/zinc/53/16/20/491531620.db2.gz UHDKEGKFBMTFAU-INIZCTEOSA-N 2 0 368.428 0.723 20 0 FCADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000567835537 491533414 /nfs/dbraw/zinc/53/34/14/491533414.db2.gz VBCFGLCFYNNRKY-SJLPKXTDSA-N 2 0 356.470 0.544 20 0 FCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000567841574 491534127 /nfs/dbraw/zinc/53/41/27/491534127.db2.gz IJSZTSWTFIAVRI-XHSDSOJGSA-N 2 0 351.495 0.319 20 0 FCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000575181479 491544181 /nfs/dbraw/zinc/54/41/81/491544181.db2.gz GXHIMNHFWXZDEO-UHFFFAOYSA-N 2 0 369.472 0.134 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])c2)CC1 ZINC000575233884 491546742 /nfs/dbraw/zinc/54/67/42/491546742.db2.gz MHHJPQCIZJHVGV-GOSISDBHSA-N 3 0 360.506 0.935 20 0 FCADRP Cc1ncc2n1C[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CC2 ZINC000568038669 491549662 /nfs/dbraw/zinc/54/96/62/491549662.db2.gz IBLGUIKOXBSCQK-MGNMYUMUSA-N 2 0 373.501 0.954 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400009 491551780 /nfs/dbraw/zinc/55/17/80/491551780.db2.gz HKOIBAAYYZEUQQ-FGTMMUONSA-N 2 0 371.485 0.303 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000560793820 491558141 /nfs/dbraw/zinc/55/81/41/491558141.db2.gz QNFGODVCKSHSQI-IAGOWNOFSA-N 2 0 367.538 0.119 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000575820485 491563021 /nfs/dbraw/zinc/56/30/21/491563021.db2.gz BVGVZORJGOYAEZ-ZACQAIPSSA-N 2 0 366.506 0.347 20 0 FCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000575886246 491567724 /nfs/dbraw/zinc/56/77/24/491567724.db2.gz JFQFKQBGTMKGED-SJLPKXTDSA-N 2 0 360.502 0.828 20 0 FCADRP CN1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000575898644 491568570 /nfs/dbraw/zinc/56/85/70/491568570.db2.gz SDAKYQWAPGVSDK-MRXNPFEDSA-N 3 0 353.511 0.306 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000575900238 491568588 /nfs/dbraw/zinc/56/85/88/491568588.db2.gz SDXJWBGVBTWJHJ-MSOLQXFVSA-N 2 0 373.501 0.504 20 0 FCADRP CN1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000575900241 491568900 /nfs/dbraw/zinc/56/89/00/491568900.db2.gz SDXJWBGVBTWJHJ-ZWKOTPCHSA-N 2 0 373.501 0.504 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000561012607 491570299 /nfs/dbraw/zinc/57/02/99/491570299.db2.gz LDLSEMUUINOAGW-GJZGRUSLSA-N 2 0 354.495 0.202 20 0 FCADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000568395055 491574114 /nfs/dbraw/zinc/57/41/14/491574114.db2.gz NBUXFRMZRXMXJU-NUJGCVRESA-N 2 0 367.490 0.759 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000576054009 491578896 /nfs/dbraw/zinc/57/88/96/491578896.db2.gz KICFSBOWUOYQGL-OAHLLOKOSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577112544 491591542 /nfs/dbraw/zinc/59/15/42/491591542.db2.gz XZOHJVPFOXYQAP-LUKYLMHMSA-N 2 0 367.538 0.245 20 0 FCADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000577117558 491592025 /nfs/dbraw/zinc/59/20/25/491592025.db2.gz XZOLFSICIKWXMP-LJQANCHMSA-N 2 0 359.518 0.850 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540965 491602207 /nfs/dbraw/zinc/60/22/07/491602207.db2.gz RHKSVBJRSKQGDG-CGTJXYLNSA-N 2 0 374.460 0.808 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540966 491602535 /nfs/dbraw/zinc/60/25/35/491602535.db2.gz RHKSVBJRSKQGDG-KBAYOESNSA-N 2 0 374.460 0.808 20 0 FCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000576399788 491611577 /nfs/dbraw/zinc/61/15/77/491611577.db2.gz PZJRIFDQWVIZPY-CABCVRRESA-N 2 0 373.900 0.828 20 0 FCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577396000 491618738 /nfs/dbraw/zinc/61/87/38/491618738.db2.gz YBAPRBVSVILVAE-HZMVEIRTSA-N 2 0 363.506 0.367 20 0 FCADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000569009189 491626963 /nfs/dbraw/zinc/62/69/63/491626963.db2.gz YPNJACJNFIANSB-GOSISDBHSA-N 2 0 372.517 0.979 20 0 FCADRP COCC[N@H+](C)C[C@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594368 491628100 /nfs/dbraw/zinc/62/81/00/491628100.db2.gz UONFWZCZYGYZAL-IBGZPJMESA-N 2 0 356.555 0.416 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000576654476 491633462 /nfs/dbraw/zinc/63/34/62/491633462.db2.gz NPWXRPJRDBTDON-SQNIBIBYSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569120057 491635809 /nfs/dbraw/zinc/63/58/09/491635809.db2.gz YCACFNUKOPYANU-NVXWUHKLSA-N 2 0 353.507 0.994 20 0 FCADRP C[C@H]1C[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000576729938 491640179 /nfs/dbraw/zinc/64/01/79/491640179.db2.gz MYLKIZYDBZKTRM-DOTOQJQBSA-N 2 0 359.474 0.380 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766882 491642927 /nfs/dbraw/zinc/64/29/27/491642927.db2.gz ZOGUTGWLXZQYMQ-RBUKOAKNSA-N 2 0 354.539 0.565 20 0 FCADRP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000577692725 491643140 /nfs/dbraw/zinc/64/31/40/491643140.db2.gz NJZSAIHMHCFFHG-GOSISDBHSA-N 2 0 366.506 0.335 20 0 FCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766883 491643232 /nfs/dbraw/zinc/64/32/32/491643232.db2.gz ZOGUTGWLXZQYMQ-RTBURBONSA-N 2 0 354.539 0.565 20 0 FCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724956 491646031 /nfs/dbraw/zinc/64/60/31/491646031.db2.gz RHLMNFYTEVPABN-IAGOWNOFSA-N 2 0 365.522 0.572 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000576843002 491649804 /nfs/dbraw/zinc/64/98/04/491649804.db2.gz LLKHHMHRSHHBEQ-KRWDZBQOSA-N 2 0 368.522 0.452 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000562182181 491657804 /nfs/dbraw/zinc/65/78/04/491657804.db2.gz NBWKOTKEVIFEJR-INIZCTEOSA-N 2 0 354.495 0.063 20 0 FCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000569409082 491659678 /nfs/dbraw/zinc/65/96/78/491659678.db2.gz MVOFAKBJDZVQQL-BMFZPTHFSA-N 2 0 350.507 0.822 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000577999460 491667151 /nfs/dbraw/zinc/66/71/51/491667151.db2.gz BKFSQSWGPHTBIC-HUUCEWRRSA-N 2 0 352.866 0.927 20 0 FCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000578340923 491675176 /nfs/dbraw/zinc/67/51/76/491675176.db2.gz NIKPDHVJDLUBDW-ZBFHGGJFSA-N 2 0 354.495 0.012 20 0 FCADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578339475 491675244 /nfs/dbraw/zinc/67/52/44/491675244.db2.gz HGAJZGFRRKVHST-SJORKVTESA-N 2 0 365.522 0.698 20 0 FCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000578649773 491681584 /nfs/dbraw/zinc/68/15/84/491681584.db2.gz IWAXNNNYIHLDQT-MAUKXSAKSA-N 2 0 361.490 0.960 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000578992516 491688433 /nfs/dbraw/zinc/68/84/33/491688433.db2.gz OFZJQCYCXDGTKG-AITUJVMLSA-N 2 0 353.470 0.997 20 0 FCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000578992519 491688511 /nfs/dbraw/zinc/68/85/11/491688511.db2.gz OFZJQCYCXDGTKG-OWYHZJEWSA-N 2 0 353.470 0.997 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000578996742 491688588 /nfs/dbraw/zinc/68/85/88/491688588.db2.gz RWRNLBJAJUMISS-SJORKVTESA-N 2 0 368.522 0.594 20 0 FCADRP CC(=O)N[C@H](C)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000579060486 491690004 /nfs/dbraw/zinc/69/00/04/491690004.db2.gz GIPVERJXRZGMBX-CJNGLKHVSA-N 2 0 352.479 0.302 20 0 FCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000579212962 491693021 /nfs/dbraw/zinc/69/30/21/491693021.db2.gz CHKDZBYCJJJUPI-VYDXJSESSA-N 2 0 362.474 0.198 20 0 FCADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000579259593 491694228 /nfs/dbraw/zinc/69/42/28/491694228.db2.gz XLLYKTJBVPQCHA-WMZOPIPTSA-N 2 0 374.485 0.791 20 0 FCADRP CCN1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@@H]1C ZINC000579364525 491696440 /nfs/dbraw/zinc/69/64/40/491696440.db2.gz LURBQKVNLHYJDF-LSDHHAIUSA-N 2 0 361.490 0.819 20 0 FCADRP C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)Cc2ccccc2C1 ZINC000579377864 491696879 /nfs/dbraw/zinc/69/68/79/491696879.db2.gz BQPZPRJFGMGPKD-IRXDYDNUSA-N 2 0 371.485 0.039 20 0 FCADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590130 491701099 /nfs/dbraw/zinc/70/10/99/491701099.db2.gz KLWIMVAAWVSJPM-RCCFBDPRSA-N 2 0 371.485 0.476 20 0 FCADRP O=C(NCc1cn2ccccc2n1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000579691613 491703043 /nfs/dbraw/zinc/70/30/43/491703043.db2.gz SRPNCKQHVNBHNR-ZDUSSCGKSA-N 2 0 370.379 0.970 20 0 FCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000579879646 491707595 /nfs/dbraw/zinc/70/75/95/491707595.db2.gz OVHWPRLEMCXCGA-UHFFFAOYSA-N 2 0 354.495 0.158 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000584778664 491713916 /nfs/dbraw/zinc/71/39/16/491713916.db2.gz TWORDEWMESUYNO-CVEARBPZSA-N 2 0 364.494 0.603 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301673 491724778 /nfs/dbraw/zinc/72/47/78/491724778.db2.gz HBLRNPNANDPXDN-HZPDHXFCSA-N 2 0 366.506 0.012 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000580530965 491734793 /nfs/dbraw/zinc/73/47/93/491734793.db2.gz JYCUOWBBOCOZOW-YJBOKZPZSA-N 2 0 358.486 0.976 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccsc1 ZINC000580785768 491746064 /nfs/dbraw/zinc/74/60/64/491746064.db2.gz OBXPBCBDIXPRHX-BFHYXJOUSA-N 2 0 351.476 0.304 20 0 FCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220993 491757870 /nfs/dbraw/zinc/75/78/70/491757870.db2.gz WSCWMSWTLKJVMP-HZPDHXFCSA-N 2 0 355.527 0.959 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCO1 ZINC000581125319 491760421 /nfs/dbraw/zinc/76/04/21/491760421.db2.gz LQMTUNNVHXUHTQ-MRXNPFEDSA-N 2 0 352.479 0.040 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135332 491760793 /nfs/dbraw/zinc/76/07/93/491760793.db2.gz FBVJNVLYGAOXPZ-CVEARBPZSA-N 2 0 363.510 0.500 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000581245150 491765483 /nfs/dbraw/zinc/76/54/83/491765483.db2.gz AYKSDAWIHFYXLD-GDAAHCPNSA-N 2 0 370.497 0.773 20 0 FCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC3(N4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000581425903 491772402 /nfs/dbraw/zinc/77/24/02/491772402.db2.gz SPNHXZBTPRFPDU-DLBZAZTESA-N 2 0 366.506 0.603 20 0 FCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581777608 491785943 /nfs/dbraw/zinc/78/59/43/491785943.db2.gz BTZGBINDOIHUBF-HOTGVXAUSA-N 2 0 367.538 0.105 20 0 FCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000581839543 491786946 /nfs/dbraw/zinc/78/69/46/491786946.db2.gz LSOGUPFFAUHFSY-SJORKVTESA-N 2 0 368.522 0.452 20 0 FCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCc2nccn2CC(F)(F)F)CC1 ZINC000582010089 491794312 /nfs/dbraw/zinc/79/43/12/491794312.db2.gz CRXXHIZWINPURU-UHFFFAOYSA-N 2 0 373.379 0.830 20 0 FCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582122841 491798751 /nfs/dbraw/zinc/79/87/51/491798751.db2.gz GOBRPKBXEBUKSA-SJORKVTESA-N 2 0 374.485 0.488 20 0 FCADRP O=C(CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000582350152 491808597 /nfs/dbraw/zinc/80/85/97/491808597.db2.gz RHZMBWIAFYBICS-UHFFFAOYSA-N 2 0 365.522 0.716 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3(CCOC)CC[NH2+]CC3)C2)CC1 ZINC000591635063 491813743 /nfs/dbraw/zinc/81/37/43/491813743.db2.gz WQDSBEHDUJRICG-KRWDZBQOSA-N 2 0 352.523 0.631 20 0 FCADRP CC(C)C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000582475538 491813835 /nfs/dbraw/zinc/81/38/35/491813835.db2.gz SRTZRUSFWPHFEX-ROUUACIJSA-N 2 0 367.538 0.422 20 0 FCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582484944 491814606 /nfs/dbraw/zinc/81/46/06/491814606.db2.gz VJEQLHMTMHHRMT-HNNXBMFYSA-N 2 0 352.479 0.006 20 0 FCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000582595439 491819092 /nfs/dbraw/zinc/81/90/92/491819092.db2.gz CWSZRUAWXDGENO-NPYXIHBLSA-N 2 0 365.522 0.854 20 0 FCADRP CN1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000582784911 491826695 /nfs/dbraw/zinc/82/66/95/491826695.db2.gz WUHXMMARZMELGU-AWEZNQCLSA-N 2 0 369.487 0.350 20 0 FCADRP CNC(=O)C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000592036210 491828466 /nfs/dbraw/zinc/82/84/66/491828466.db2.gz LARWZCXZBFAZGV-UHFFFAOYSA-N 2 0 359.474 0.626 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852502 491829498 /nfs/dbraw/zinc/82/94/98/491829498.db2.gz DWJQHKJFSUJETQ-HZPDHXFCSA-N 2 0 370.538 0.552 20 0 FCADRP C[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000583440101 491844873 /nfs/dbraw/zinc/84/48/73/491844873.db2.gz KDRYFSMONVBPLF-CRFBAAHOSA-N 2 0 350.507 0.775 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000583581306 491848151 /nfs/dbraw/zinc/84/81/51/491848151.db2.gz HPKGLNYXQIWZHQ-UHFFFAOYSA-N 2 0 368.522 0.593 20 0 FCADRP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583687789 491850060 /nfs/dbraw/zinc/85/00/60/491850060.db2.gz VHSTUNIOVHTOOV-FUHWJXTLSA-N 2 0 362.518 0.779 20 0 FCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC000584226072 491861086 /nfs/dbraw/zinc/86/10/86/491861086.db2.gz HMMAHTCVSHWYOO-GBESFXJTSA-N 2 0 370.497 0.917 20 0 FCADRP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000584341285 491863332 /nfs/dbraw/zinc/86/33/32/491863332.db2.gz ZVLUDVRDEWHYQW-SFHVURJKSA-N 2 0 374.485 0.119 20 0 FCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000611757590 491872635 /nfs/dbraw/zinc/87/26/35/491872635.db2.gz GAZMMLHRQXFTEE-JKSUJKDBSA-N 2 0 350.507 0.990 20 0 FCADRP C[NH+](C)Cc1cc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000595261733 491908572 /nfs/dbraw/zinc/90/85/72/491908572.db2.gz AUXBYZDOYNIEAL-GDBMZVCRSA-N 2 0 363.437 0.341 20 0 FCADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000595295105 491914331 /nfs/dbraw/zinc/91/43/31/491914331.db2.gz DYTYOSXSKGIGSC-MRXNPFEDSA-N 2 0 353.463 0.195 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542148 491930728 /nfs/dbraw/zinc/93/07/28/491930728.db2.gz GYZHYUIONZTHCH-SJORKVTESA-N 2 0 366.506 0.158 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000612548707 491933026 /nfs/dbraw/zinc/93/30/26/491933026.db2.gz QIEYXWDOWRRFOT-CVEARBPZSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612600470 491937860 /nfs/dbraw/zinc/93/78/60/491937860.db2.gz IMBDFKBIYBYMEE-MRXNPFEDSA-N 2 0 354.495 0.204 20 0 FCADRP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913755 491958105 /nfs/dbraw/zinc/95/81/05/491958105.db2.gz DJVROHGEHVABEQ-CABCVRRESA-N 2 0 361.494 0.460 20 0 FCADRP [NH3+][C@H](CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000612914484 491958359 /nfs/dbraw/zinc/95/83/59/491958359.db2.gz FDKROKQFGWSDBV-HUUCEWRRSA-N 2 0 361.494 0.446 20 0 FCADRP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913757 491958549 /nfs/dbraw/zinc/95/85/49/491958549.db2.gz DJVROHGEHVABEQ-HUUCEWRRSA-N 2 0 361.494 0.460 20 0 FCADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC[NH2+]CC4)cn2)CC1 ZINC000612964620 491960252 /nfs/dbraw/zinc/96/02/52/491960252.db2.gz SKSDAESHSDXHON-MRXNPFEDSA-N 2 0 358.490 0.775 20 0 FCADRP COC(=O)[C@@]1(C)C[NH+](C[C@@H](O)C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929254 492006071 /nfs/dbraw/zinc/00/60/71/492006071.db2.gz MMZFIUPWVHCZFE-BZPVJVJKSA-N 2 0 370.490 0.609 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604205974 492054076 /nfs/dbraw/zinc/05/40/76/492054076.db2.gz ZGCIPZMLJVFEFZ-HNNXBMFYSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)C[NH+](C)C)[nH]n1)C[NH+](C)C ZINC000615178489 492077033 /nfs/dbraw/zinc/07/70/33/492077033.db2.gz VLIQAOVNGMGDDV-BETUJISGSA-N 2 0 352.483 0.265 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000598253214 492090278 /nfs/dbraw/zinc/09/02/78/492090278.db2.gz IYEGAFTVMHNQCN-HOTGVXAUSA-N 2 0 351.495 0.465 20 0 FCADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCOCC1 ZINC000605875125 492104342 /nfs/dbraw/zinc/10/43/42/492104342.db2.gz AELJTCGAKMEHPK-INIZCTEOSA-N 2 0 368.522 0.897 20 0 FCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000605985841 492110352 /nfs/dbraw/zinc/11/03/52/492110352.db2.gz PHOKQZUXAOPEEQ-ROUUACIJSA-N 2 0 367.538 0.255 20 0 FCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606093109 492114794 /nfs/dbraw/zinc/11/47/94/492114794.db2.gz OWJRNNXPFLKDGD-UHFFFAOYSA-N 2 0 363.462 0.583 20 0 FCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000606653363 492125370 /nfs/dbraw/zinc/12/53/70/492125370.db2.gz RBBXZGUPIXBGFQ-TWMKSMIVSA-N 2 0 367.538 0.992 20 0 FCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000606653364 492125623 /nfs/dbraw/zinc/12/56/23/492125623.db2.gz RBBXZGUPIXBGFQ-VVLHAWIVSA-N 2 0 367.538 0.992 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665586 492126277 /nfs/dbraw/zinc/12/62/77/492126277.db2.gz HOKCZPMVXGAOSK-RDJZCZTQSA-N 2 0 367.538 0.959 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000616489133 492134550 /nfs/dbraw/zinc/13/45/50/492134550.db2.gz NVAVRRBVZBOKHC-PYOKUCOHSA-N 2 0 368.522 0.350 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000608687261 492186348 /nfs/dbraw/zinc/18/63/48/492186348.db2.gz DIJTXEMOMFAWKI-IKGGRYGDSA-N 2 0 353.511 0.175 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4nn(C)c(=O)cc4C3)C2)CC1 ZINC000608685871 492186630 /nfs/dbraw/zinc/18/66/30/492186630.db2.gz GWZBQHZRBJFIRT-HNNXBMFYSA-N 2 0 374.489 0.017 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691436 492187455 /nfs/dbraw/zinc/18/74/55/492187455.db2.gz SRFDEBODSDIQLB-GOEBONIOSA-N 2 0 353.511 0.603 20 0 FCADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691437 492187571 /nfs/dbraw/zinc/18/75/71/492187571.db2.gz SRFDEBODSDIQLB-HOCLYGCPSA-N 2 0 353.511 0.603 20 0 FCADRP COC(=O)[C@H]1CC12CC[NH+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)CC2 ZINC000610259359 492240259 /nfs/dbraw/zinc/24/02/59/492240259.db2.gz RCUYUKMXCLOUSZ-KGLIPLIRSA-N 2 0 351.447 0.341 20 0 FCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC3CC[NH+](CCO)CC3)C2)CC1 ZINC000610732281 492260356 /nfs/dbraw/zinc/26/03/56/492260356.db2.gz TYJZHQKFKFPNDT-SFHVURJKSA-N 2 0 367.538 0.253 20 0 FCADRP CCNC(=O)COc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647492297 492297518 /nfs/dbraw/zinc/29/75/18/492297518.db2.gz AOPVLFDHQZPFIF-UHFFFAOYSA-N 2 0 364.490 0.547 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627443608 492298389 /nfs/dbraw/zinc/29/83/89/492298389.db2.gz NCQMIIOZRFIAGO-OAHLLOKOSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785218 492305171 /nfs/dbraw/zinc/30/51/71/492305171.db2.gz YUMIIQGBSVMXNS-IAGOWNOFSA-N 2 0 367.538 0.565 20 0 FCADRP CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824228 492310371 /nfs/dbraw/zinc/31/03/71/492310371.db2.gz GQHFZZQOVVJVGH-HOTGVXAUSA-N 2 0 350.507 0.920 20 0 FCADRP CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1(C)C ZINC000641823818 492310531 /nfs/dbraw/zinc/31/05/31/492310531.db2.gz AZKYPLYSZFQSJF-GOEBONIOSA-N 2 0 362.449 0.631 20 0 FCADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000627474488 492313006 /nfs/dbraw/zinc/31/30/06/492313006.db2.gz PEWDEBYFSPYGKQ-JKSUJKDBSA-N 2 0 354.495 0.108 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000620535928 492317547 /nfs/dbraw/zinc/31/75/47/492317547.db2.gz VKHMUBOXYPXYTI-HOTGVXAUSA-N 2 0 368.522 0.450 20 0 FCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000642047374 492329533 /nfs/dbraw/zinc/32/95/33/492329533.db2.gz FDQCXAMANHZRRZ-PVAVHDDUSA-N 2 0 362.474 0.289 20 0 FCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000647597154 492332140 /nfs/dbraw/zinc/33/21/40/492332140.db2.gz QFGXXTYQSKQCJJ-HZPDHXFCSA-N 2 0 367.538 0.105 20 0 FCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000642096226 492333826 /nfs/dbraw/zinc/33/38/26/492333826.db2.gz UXFITNBNJPNPTM-DOTOQJQBSA-N 2 0 362.474 0.672 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[NH2+]1 ZINC000642104409 492335104 /nfs/dbraw/zinc/33/51/04/492335104.db2.gz GINDXJPSMAQJIH-QZTJIDSGSA-N 2 0 360.502 0.732 20 0 FCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642119461 492336818 /nfs/dbraw/zinc/33/68/18/492336818.db2.gz RPCWAYJGDJTONB-OAGGEKHMSA-N 2 0 368.522 0.578 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000642190955 492340173 /nfs/dbraw/zinc/34/01/73/492340173.db2.gz WVQJYRWJEUFPNP-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642195155 492340252 /nfs/dbraw/zinc/34/02/52/492340252.db2.gz ABKGYEUHCLSXGB-FPCVCCKLSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000642253921 492345110 /nfs/dbraw/zinc/34/51/10/492345110.db2.gz QMXKHWCEJSUFNV-ZWKOTPCHSA-N 2 0 358.486 0.835 20 0 FCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000642255310 492345158 /nfs/dbraw/zinc/34/51/58/492345158.db2.gz JCTQVEXZDYXCEP-LZWOXQAQSA-N 2 0 366.462 0.353 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000654736554 492345454 /nfs/dbraw/zinc/34/54/54/492345454.db2.gz AYBJMNXFMYQOIX-HOTGVXAUSA-N 2 0 351.495 0.419 20 0 FCADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706207 492347670 /nfs/dbraw/zinc/34/76/70/492347670.db2.gz FNWURBSDWJWGSP-QYZOEREBSA-N 2 0 359.470 0.555 20 0 FCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642321280 492350597 /nfs/dbraw/zinc/35/05/97/492350597.db2.gz UALMNZDMRJICKV-QZTJIDSGSA-N 2 0 358.486 0.965 20 0 FCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330390 492351877 /nfs/dbraw/zinc/35/18/77/492351877.db2.gz DAIVEZAVQHSNJQ-ZVDSWSACSA-N 2 0 354.495 0.044 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330389 492352078 /nfs/dbraw/zinc/35/20/78/492352078.db2.gz DAIVEZAVQHSNJQ-XFIYOXNOSA-N 2 0 354.495 0.044 20 0 FCADRP COCC(=O)NC1CC[NH+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634642095 492357807 /nfs/dbraw/zinc/35/78/07/492357807.db2.gz FAVSGAFPNIXUPJ-FQEVSTJZSA-N 2 0 361.486 0.850 20 0 FCADRP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cn1 ZINC000647789812 492363042 /nfs/dbraw/zinc/36/30/42/492363042.db2.gz LVJUBRHPPYGBKU-SQWLQELKSA-N 2 0 367.519 0.551 20 0 FCADRP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640737 492369167 /nfs/dbraw/zinc/36/91/67/492369167.db2.gz PTFSXPVUZWAJAL-RCCFBDPRSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000642648083 492369798 /nfs/dbraw/zinc/36/97/98/492369798.db2.gz MERNRWWDLXVEAQ-USXIJHARSA-N 2 0 366.506 0.474 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642680242 492372303 /nfs/dbraw/zinc/37/23/03/492372303.db2.gz KXPGDRSFAINFAE-SZMVWBNQSA-N 2 0 374.485 0.342 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000642685592 492372426 /nfs/dbraw/zinc/37/24/26/492372426.db2.gz OSLYKVFQIUBBAF-AEFFLSMTSA-N 2 0 374.485 0.454 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000642685593 492372885 /nfs/dbraw/zinc/37/28/85/492372885.db2.gz OSLYKVFQIUBBAF-FUHWJXTLSA-N 2 0 374.485 0.454 20 0 FCADRP O=C(NCC[NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000642684669 492372903 /nfs/dbraw/zinc/37/29/03/492372903.db2.gz GLQHNKAOWRZRSQ-UHFFFAOYSA-N 2 0 362.449 0.775 20 0 FCADRP O=C(NC[C@@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905665 492380741 /nfs/dbraw/zinc/38/07/41/492380741.db2.gz LLPAOFIXBGDPKV-FJIDUMEYSA-N 2 0 350.507 0.430 20 0 FCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750872 492384571 /nfs/dbraw/zinc/38/45/71/492384571.db2.gz HDXFYEBYGVEPOY-TWMKSMIVSA-N 2 0 368.522 0.435 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1C[NH+](C2CCCCC2)C1 ZINC000654980194 492388586 /nfs/dbraw/zinc/38/85/86/492388586.db2.gz AHPACNLAKKGZKD-SFHVURJKSA-N 2 0 364.534 0.774 20 0 FCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975579 492389520 /nfs/dbraw/zinc/38/95/20/492389520.db2.gz CEBPFFZVDNMOCR-NCOADZHNSA-N 2 0 350.507 0.810 20 0 FCADRP CC[C@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000642800060 492395778 /nfs/dbraw/zinc/39/57/78/492395778.db2.gz JOOKZNMSJVKYJX-ROUUACIJSA-N 2 0 360.502 0.993 20 0 FCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC[NH2+]C3CC3)CCCC2)CC1 ZINC000642806193 492395876 /nfs/dbraw/zinc/39/58/76/492395876.db2.gz FLQXJXRFJIWNGL-UHFFFAOYSA-N 2 0 366.506 0.394 20 0 FCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642917922 492403208 /nfs/dbraw/zinc/40/32/08/492403208.db2.gz HTZXMAXKYADERH-UHFFFAOYSA-N 2 0 368.428 0.723 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000635148840 492403406 /nfs/dbraw/zinc/40/34/06/492403406.db2.gz JFERALCAYVKYCV-UHFFFAOYSA-N 2 0 352.523 0.585 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919011 492403694 /nfs/dbraw/zinc/40/36/94/492403694.db2.gz KWMZKSHDXZHUIW-MRXNPFEDSA-N 2 0 358.486 0.978 20 0 FCADRP CCN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642918814 492404166 /nfs/dbraw/zinc/40/41/66/492404166.db2.gz DAPBKGARDULKKZ-SFHVURJKSA-N 2 0 358.486 0.978 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958472 492406459 /nfs/dbraw/zinc/40/64/59/492406459.db2.gz AJJZJGUHOZZFOA-GOEBONIOSA-N 2 0 366.506 0.693 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1cccc(F)c1 ZINC000642979579 492409284 /nfs/dbraw/zinc/40/92/84/492409284.db2.gz BODYKRSDNTUZOK-JKSUJKDBSA-N 2 0 350.438 0.803 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973144 492409399 /nfs/dbraw/zinc/40/93/99/492409399.db2.gz KDVBZUFAZXQTRY-VQIMIIECSA-N 2 0 350.507 0.969 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973143 492409523 /nfs/dbraw/zinc/40/95/23/492409523.db2.gz KDVBZUFAZXQTRY-QFBILLFUSA-N 2 0 350.507 0.969 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[NH+](C)C)c1 ZINC000621837865 492421679 /nfs/dbraw/zinc/42/16/79/492421679.db2.gz SATHQXASWCMNQM-RIFZZMRRSA-N 2 0 374.485 0.754 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621841385 492422874 /nfs/dbraw/zinc/42/28/74/492422874.db2.gz UYZISIRUPUGUCQ-OXQOHEQNSA-N 2 0 374.485 0.583 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCNC1=O ZINC000655280828 492423014 /nfs/dbraw/zinc/42/30/14/492423014.db2.gz WWUSHLDEMWKSEE-INIZCTEOSA-N 2 0 374.489 0.419 20 0 FCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000621843242 492423888 /nfs/dbraw/zinc/42/38/88/492423888.db2.gz BIFGTUADUIPDFU-OPYAIIAOSA-N 2 0 370.497 0.965 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845684 492426164 /nfs/dbraw/zinc/42/61/64/492426164.db2.gz NQNICEDFZIZREH-LIRRHRJNSA-N 2 0 366.506 0.332 20 0 FCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000627980649 492431934 /nfs/dbraw/zinc/43/19/34/492431934.db2.gz SPJIIOBPGXBIQD-GOSISDBHSA-N 2 0 374.485 0.446 20 0 FCADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000627983717 492433860 /nfs/dbraw/zinc/43/38/60/492433860.db2.gz DYDYXGCYBADZTL-ZWKOTPCHSA-N 2 0 358.486 0.564 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028517 492443375 /nfs/dbraw/zinc/44/33/75/492443375.db2.gz RHKKFJUWRCPXHN-VCBZYWHSSA-N 2 0 364.490 0.038 20 0 FCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655447842 492444336 /nfs/dbraw/zinc/44/43/36/492444336.db2.gz HBMZGKGGQPTARZ-YLJYHZDGSA-N 2 0 358.486 0.984 20 0 FCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551876 492455061 /nfs/dbraw/zinc/45/50/61/492455061.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 2 0 367.538 0.301 20 0 FCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557282 492456955 /nfs/dbraw/zinc/45/69/55/492456955.db2.gz WATKJMWJWUXDKA-SJORKVTESA-N 2 0 353.511 0.129 20 0 FCADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000643475136 492473292 /nfs/dbraw/zinc/47/32/92/492473292.db2.gz JDGNKRHCFGUWPJ-MRVWCRGKSA-N 2 0 361.533 0.985 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480974 492476799 /nfs/dbraw/zinc/47/67/99/492476799.db2.gz HROIPZAXWGGNTI-FUHWJXTLSA-N 2 0 374.485 0.296 20 0 FCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000643484584 492477847 /nfs/dbraw/zinc/47/78/47/492477847.db2.gz DFUPXQIGXQASBD-SJLPKXTDSA-N 2 0 358.486 0.835 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000643486908 492478923 /nfs/dbraw/zinc/47/89/23/492478923.db2.gz BVWHSBIRQRYNIU-QGZVFWFLSA-N 2 0 350.507 0.908 20 0 FCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC000635606942 492480232 /nfs/dbraw/zinc/48/02/32/492480232.db2.gz XBDNTFMFTUCXLN-UHFFFAOYSA-N 2 0 352.483 0.477 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000643494646 492481330 /nfs/dbraw/zinc/48/13/30/492481330.db2.gz SJAHDMGRUOGJMG-LJQANCHMSA-N 2 0 350.507 0.779 20 0 FCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643494631 492481711 /nfs/dbraw/zinc/48/17/11/492481711.db2.gz REBFPIFQJLBRIT-JKSUJKDBSA-N 2 0 350.507 0.777 20 0 FCADRP O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000643498782 492482652 /nfs/dbraw/zinc/48/26/52/492482652.db2.gz VKCCUYJCUNIZIG-RCCFBDPRSA-N 2 0 362.518 0.921 20 0 FCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000643500567 492483669 /nfs/dbraw/zinc/48/36/69/492483669.db2.gz CDVDLVBYGGHLJP-JYJNAYRXSA-N 2 0 350.507 0.905 20 0 FCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643513588 492486610 /nfs/dbraw/zinc/48/66/10/492486610.db2.gz QYJMDCQGHGEYGW-IAGOWNOFSA-N 2 0 367.538 0.057 20 0 FCADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000643527120 492491104 /nfs/dbraw/zinc/49/11/04/492491104.db2.gz JYQVLCUOELZABV-IAGOWNOFSA-N 2 0 366.506 0.014 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000643531751 492491273 /nfs/dbraw/zinc/49/12/73/492491273.db2.gz FSFIBHXYSZALNS-ROUUACIJSA-N 2 0 374.485 0.296 20 0 FCADRP O=C(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643525116 492491322 /nfs/dbraw/zinc/49/13/22/492491322.db2.gz WWMNKSIOBXNMIZ-SJLPKXTDSA-N 2 0 362.518 0.921 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000643531882 492491970 /nfs/dbraw/zinc/49/19/70/492491970.db2.gz RFVJRLFMBOEXJA-YLJYHZDGSA-N 2 0 358.486 0.917 20 0 FCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643539821 492493969 /nfs/dbraw/zinc/49/39/69/492493969.db2.gz VIKFVYHQCXTADO-ZACQAIPSSA-N 2 0 366.506 0.156 20 0 FCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643550012 492497875 /nfs/dbraw/zinc/49/78/75/492497875.db2.gz TVHDYUSKJFNZSN-RNJTYBCJSA-N 2 0 374.460 0.631 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000643553785 492498370 /nfs/dbraw/zinc/49/83/70/492498370.db2.gz PIRAWQAXULAFIC-GVDBMIGSSA-N 2 0 350.507 0.824 20 0 FCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643581001 492500082 /nfs/dbraw/zinc/50/00/82/492500082.db2.gz PWQZYJYXUHLWGA-UHFFFAOYSA-N 2 0 350.507 0.923 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000643585846 492500592 /nfs/dbraw/zinc/50/05/92/492500592.db2.gz XRGIRMXWMAWWJH-SOLBZPMBSA-N 2 0 358.486 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000643585844 492500971 /nfs/dbraw/zinc/50/09/71/492500971.db2.gz XRGIRMXWMAWWJH-NUJGCVRESA-N 2 0 358.486 0.928 20 0 FCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635749034 492500972 /nfs/dbraw/zinc/50/09/72/492500972.db2.gz IBDNKALOXSTIDQ-MSOLQXFVSA-N 2 0 366.550 0.829 20 0 FCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643594552 492503783 /nfs/dbraw/zinc/50/37/83/492503783.db2.gz PLMWLNKAWYCPLC-HZPDHXFCSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000649274331 492517933 /nfs/dbraw/zinc/51/79/33/492517933.db2.gz DMZFSCSNLTWTJZ-JCGIZDLHSA-N 2 0 357.458 0.376 20 0 FCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656028576 492521337 /nfs/dbraw/zinc/52/13/37/492521337.db2.gz MPFQHMLVHYXOFO-DLBZAZTESA-N 2 0 366.506 0.476 20 0 FCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656028691 492521588 /nfs/dbraw/zinc/52/15/88/492521588.db2.gz OTGUKGLILHLKQA-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000635899422 492521906 /nfs/dbraw/zinc/52/19/06/492521906.db2.gz LVXQJRPUYNRABZ-KRWDZBQOSA-N 2 0 353.507 0.916 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000628585262 492525764 /nfs/dbraw/zinc/52/57/64/492525764.db2.gz OILNFJGSYGRQAV-MSOLQXFVSA-N 2 0 358.486 0.965 20 0 FCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C1 ZINC000649320864 492532128 /nfs/dbraw/zinc/53/21/28/492532128.db2.gz CNMUEOFQSPJPNA-TVFCKZIOSA-N 2 0 356.470 0.751 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000649344184 492539556 /nfs/dbraw/zinc/53/95/56/492539556.db2.gz CCPZNVDUPZHKHX-HOTGVXAUSA-N 2 0 354.495 0.286 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCC([NH+](C)C)CC2)cnn1C ZINC000649343693 492540446 /nfs/dbraw/zinc/54/04/46/492540446.db2.gz PRBDRZOXPPTYQX-MSOLQXFVSA-N 2 0 362.522 0.174 20 0 FCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000649473519 492556201 /nfs/dbraw/zinc/55/62/01/492556201.db2.gz YBKALPSYNVWEQK-MTSZKFMLSA-N 2 0 368.522 0.325 20 0 FCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649566587 492562893 /nfs/dbraw/zinc/56/28/93/492562893.db2.gz QBDSWGPARDLVFF-KRWDZBQOSA-N 2 0 350.507 0.969 20 0 FCADRP [NH3+]C1(CNC(=O)c2nc3n(n2)CCCN3)CC[NH+](Cc2ccccc2)CC1 ZINC000643801735 492565197 /nfs/dbraw/zinc/56/51/97/492565197.db2.gz XVJOSOGSHKTEGN-UHFFFAOYSA-N 2 0 369.473 0.075 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623592829 492571183 /nfs/dbraw/zinc/57/11/83/492571183.db2.gz DBYMKVYYZLQZPV-INIZCTEOSA-N 2 0 367.538 0.960 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000656298323 492576032 /nfs/dbraw/zinc/57/60/32/492576032.db2.gz CVRYZTZLQLOPQV-GOSISDBHSA-N 2 0 370.563 0.873 20 0 FCADRP COC[C@H]1C[C@@H](O)CN1Cc1cncc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c1 ZINC000649764558 492580518 /nfs/dbraw/zinc/58/05/18/492580518.db2.gz HHBHMJHNKGRDLL-NCXUSEDFSA-N 2 0 365.474 0.245 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCCNc3nc(N)[nH+]c(N)n3)CC2)c1 ZINC000623850505 492601952 /nfs/dbraw/zinc/60/19/52/492601952.db2.gz JBNXULKLLSCVNJ-UHFFFAOYSA-N 2 0 356.478 0.441 20 0 FCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360637 492613212 /nfs/dbraw/zinc/61/32/12/492613212.db2.gz UTTUSZMXQYQZIY-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699406 492643494 /nfs/dbraw/zinc/64/34/94/492643494.db2.gz LIYVWRUKVDUTII-PXNSSMCTSA-N 2 0 374.485 0.884 20 0 FCADRP O[C@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000629558502 492644492 /nfs/dbraw/zinc/64/44/92/492644492.db2.gz BASPJUWHPVHLDH-GOSISDBHSA-N 3 0 362.522 0.425 20 0 FCADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654590 /nfs/dbraw/zinc/65/45/90/492654590.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 2 0 362.518 0.936 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162149 492656723 /nfs/dbraw/zinc/65/67/23/492656723.db2.gz BFNBZXVWGIABJX-MJGOQNOKSA-N 2 0 365.522 0.130 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H](CO)CCF ZINC000650802615 492669077 /nfs/dbraw/zinc/66/90/77/492669077.db2.gz UAIBGGNHKIFGAH-HNNXBMFYSA-N 2 0 353.442 0.613 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793260 492674549 /nfs/dbraw/zinc/67/45/49/492674549.db2.gz DNSVMPIBCZCSOD-SJORKVTESA-N 2 0 368.522 0.533 20 0 FCADRP COCCOCCN1CCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000650850465 492675169 /nfs/dbraw/zinc/67/51/69/492675169.db2.gz PZLQIWQYJHXIGI-IAGOWNOFSA-N 2 0 372.510 0.086 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629798967 492677672 /nfs/dbraw/zinc/67/76/72/492677672.db2.gz CNIIKTHQMDUZTO-OLZOCXBDSA-N 2 0 366.428 0.772 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000629802238 492679949 /nfs/dbraw/zinc/67/99/49/492679949.db2.gz GSMAGSXJRFPLAB-UHFFFAOYSA-N 2 0 352.401 0.669 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000650892213 492682524 /nfs/dbraw/zinc/68/25/24/492682524.db2.gz HYMKGBFYYYWCDU-INIZCTEOSA-N 2 0 353.511 0.701 20 0 FCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629809276 492682795 /nfs/dbraw/zinc/68/27/95/492682795.db2.gz PBQAURXEOAWDKP-AGIUHOORSA-N 2 0 364.412 0.525 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[C@@H]1C(F)(F)F ZINC000629814076 492685800 /nfs/dbraw/zinc/68/58/00/492685800.db2.gz OTMYUUJOXRCFJZ-MCIONIFRSA-N 2 0 374.407 0.445 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000629815652 492686101 /nfs/dbraw/zinc/68/61/01/492686101.db2.gz RINSWYYILISMEG-DLBZAZTESA-N 2 0 368.522 0.402 20 0 FCADRP C[NH+](CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709027 /nfs/dbraw/zinc/70/90/27/492709027.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 2 0 350.507 0.966 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000657071137 492709436 /nfs/dbraw/zinc/70/94/36/492709436.db2.gz GRPLQIQUKPSMFL-LBPRGKRZSA-N 2 0 367.466 0.699 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C[N@@H+]1C1CC1 ZINC000636907297 492725227 /nfs/dbraw/zinc/72/52/27/492725227.db2.gz MZFDEWLGCCGCTP-ZRGWGRIASA-N 2 0 366.506 0.527 20 0 FCADRP CCN1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000651313486 492739890 /nfs/dbraw/zinc/73/98/90/492739890.db2.gz DFIOQUNFEWWIPL-NVXWUHKLSA-N 2 0 365.522 0.665 20 0 FCADRP CCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H]1c1nccn1C ZINC000625383578 492770858 /nfs/dbraw/zinc/77/08/58/492770858.db2.gz MVYQMIHRRGMIHC-KBMXLJTQSA-N 2 0 363.462 0.167 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196434 492803181 /nfs/dbraw/zinc/80/31/81/492803181.db2.gz RPXUIEHEXGQRCU-DOTOQJQBSA-N 2 0 356.470 0.942 20 0 FCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637280189 492804186 /nfs/dbraw/zinc/80/41/86/492804186.db2.gz JNKPNSDXVBYAOO-HOTGVXAUSA-N 2 0 353.511 0.746 20 0 FCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870129 492806687 /nfs/dbraw/zinc/80/66/87/492806687.db2.gz BFHRAUIHJYQDKI-INIZCTEOSA-N 2 0 359.474 0.719 20 0 FCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375360 492814137 /nfs/dbraw/zinc/81/41/37/492814137.db2.gz IWHZSAJHJQRZNH-XHSDSOJGSA-N 2 0 351.495 0.452 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000637375604 492814412 /nfs/dbraw/zinc/81/44/12/492814412.db2.gz OBLQEHRSQWEFTQ-SJORKVTESA-N 2 0 365.522 0.700 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000637376194 492815766 /nfs/dbraw/zinc/81/57/66/492815766.db2.gz FGQXNZOGMYQICV-IRXDYDNUSA-N 2 0 365.522 0.986 20 0 FCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375719 492815981 /nfs/dbraw/zinc/81/59/81/492815981.db2.gz QGDGQHDXHMEYGK-PMPSAXMXSA-N 2 0 351.495 0.452 20 0 FCADRP CCN1C[C@H](S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000631645407 492829335 /nfs/dbraw/zinc/82/93/35/492829335.db2.gz PTDMRPFVCOPMMI-OAHLLOKOSA-N 2 0 362.540 0.142 20 0 FCADRP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644989999 492836500 /nfs/dbraw/zinc/83/65/00/492836500.db2.gz PRSGJESJHDZSGU-FGYAAKKASA-N 2 0 356.514 0.998 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000658120688 492840796 /nfs/dbraw/zinc/84/07/96/492840796.db2.gz XKILLYMSVXIDKT-CQSZACIVSA-N 2 0 364.494 0.620 20 0 FCADRP C[NH+](C)Cc1cccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)c1 ZINC000631725188 492842084 /nfs/dbraw/zinc/84/20/84/492842084.db2.gz AFPUQFAJBJQPKD-UHFFFAOYSA-N 2 0 368.547 0.805 20 0 FCADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645136425 492872249 /nfs/dbraw/zinc/87/22/49/492872249.db2.gz SIBKCSNRCSWTQM-DZJNRPSUSA-N 2 0 362.518 0.729 20 0 FCADRP O=C(NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000645136427 492872342 /nfs/dbraw/zinc/87/23/42/492872342.db2.gz SIBKCSNRCSWTQM-SPUZQDLCSA-N 2 0 362.518 0.729 20 0 FCADRP [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC000631944120 492894223 /nfs/dbraw/zinc/89/42/23/492894223.db2.gz OWYXVXIWFWSFNE-HNNXBMFYSA-N 2 0 356.496 0.189 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000631943529 492894255 /nfs/dbraw/zinc/89/42/55/492894255.db2.gz YQTPHEVJAGPIRQ-IRXDYDNUSA-N 2 0 358.552 0.560 20 0 FCADRP CC[N@H+](CCCNC(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000652201403 492894554 /nfs/dbraw/zinc/89/45/54/492894554.db2.gz DXTRTMZBWPRPFR-UHFFFAOYSA-N 2 0 353.511 0.762 20 0 FCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000638064141 492899996 /nfs/dbraw/zinc/89/99/96/492899996.db2.gz RWJOQKJFMHSOKD-IRXDYDNUSA-N 2 0 360.502 0.817 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000638089682 492904026 /nfs/dbraw/zinc/90/40/26/492904026.db2.gz CRPQGBSEAKIYJL-FZKQIMNGSA-N 2 0 362.430 0.862 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638108113 492908267 /nfs/dbraw/zinc/90/82/67/492908267.db2.gz LAHGQKPNDJNNBX-VQIMIIECSA-N 2 0 362.474 0.361 20 0 FCADRP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638116305 492910186 /nfs/dbraw/zinc/91/01/86/492910186.db2.gz CNZWTTZRBQCVQP-IBGZPJMESA-N 2 0 372.513 0.398 20 0 FCADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348600 492913359 /nfs/dbraw/zinc/91/33/59/492913359.db2.gz JUXLDSGVPCFAOW-XHSDSOJGSA-N 2 0 363.524 0.161 20 0 FCADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638134495 492913636 /nfs/dbraw/zinc/91/36/36/492913636.db2.gz NUKLXDZVFXITMB-UYAOXDASSA-N 2 0 360.502 0.687 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348667 492913633 /nfs/dbraw/zinc/91/36/33/492913633.db2.gz MLLMFUFCMXTQDT-LZLYRXPVSA-N 3 0 352.523 0.805 20 0 FCADRP CC[NH+]1CCC(CCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632034246 492915286 /nfs/dbraw/zinc/91/52/86/492915286.db2.gz OTBFSJYRYLRGDF-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000638137084 492915384 /nfs/dbraw/zinc/91/53/84/492915384.db2.gz RDXRGXVUJHHVKI-AZUAARDMSA-N 2 0 360.502 0.817 20 0 FCADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652360472 492916382 /nfs/dbraw/zinc/91/63/82/492916382.db2.gz IXKGODCUJAVFMO-GVDBMIGSSA-N 2 0 352.479 0.038 20 0 FCADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000638303977 492932488 /nfs/dbraw/zinc/93/24/88/492932488.db2.gz XIUQXGNLYPZFOL-QGZVFWFLSA-N 2 0 355.442 0.956 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652479661 492947790 /nfs/dbraw/zinc/94/77/90/492947790.db2.gz SRMNCTWPLHIFKC-SJORKVTESA-N 2 0 350.507 0.873 20 0 FCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632232186 492954777 /nfs/dbraw/zinc/95/47/77/492954777.db2.gz RGUDWQMRBXDBAQ-UHFFFAOYSA-N 3 0 360.568 0.760 20 0 FCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000638498308 492957615 /nfs/dbraw/zinc/95/76/15/492957615.db2.gz RIOLJGJDYAAHBH-KRWDZBQOSA-N 2 0 358.486 0.764 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000638558728 492961279 /nfs/dbraw/zinc/96/12/79/492961279.db2.gz OJMXHSOXZIHZCI-UONOGXRCSA-N 2 0 350.429 1.000 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000632272685 492962424 /nfs/dbraw/zinc/96/24/24/492962424.db2.gz WONCCEAOEHMSPR-UHFFFAOYSA-N 2 0 360.568 0.665 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000652612102 492970862 /nfs/dbraw/zinc/97/08/62/492970862.db2.gz IJDRXLKBKDGNIY-CVEARBPZSA-N 2 0 350.467 0.805 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000652623226 492972226 /nfs/dbraw/zinc/97/22/26/492972226.db2.gz CYANHDZKBUJFOU-HDJSIYSDSA-N 2 0 350.467 0.265 20 0 FCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632332086 492975282 /nfs/dbraw/zinc/97/52/82/492975282.db2.gz WXCYBALUJORDFF-IAGOWNOFSA-N 2 0 358.552 0.512 20 0 FCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000638752711 492975506 /nfs/dbraw/zinc/97/55/06/492975506.db2.gz NZCPJRSIBKBXEU-INIZCTEOSA-N 2 0 362.478 0.464 20 0 FCADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000638855327 492981695 /nfs/dbraw/zinc/98/16/95/492981695.db2.gz BAPVKGBQBWYOPL-IAGOWNOFSA-N 2 0 360.458 0.506 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc4c(s3)CC[NH2+]C4)CC2)C1=O ZINC000638856643 492982448 /nfs/dbraw/zinc/98/24/48/492982448.db2.gz QCQQMRULFYCRNU-CQSZACIVSA-N 2 0 362.499 0.819 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)C1=O ZINC000638856677 492982516 /nfs/dbraw/zinc/98/25/16/492982516.db2.gz QZLZCNIRFTZYHK-QZTJIDSGSA-N 2 0 356.470 0.685 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673252 492985091 /nfs/dbraw/zinc/98/50/91/492985091.db2.gz ITFIYNVKAPEIHK-BZUAXINKSA-N 2 0 352.523 0.975 20 0 FCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000652689398 492991384 /nfs/dbraw/zinc/99/13/84/492991384.db2.gz UVXUNOHBOPHAHG-UHFFFAOYSA-N 2 0 373.501 0.920 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639005886 492991706 /nfs/dbraw/zinc/99/17/06/492991706.db2.gz QMPDDWSOAYWHSU-ZWKOTPCHSA-N 2 0 358.486 0.944 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639005885 492991934 /nfs/dbraw/zinc/99/19/34/492991934.db2.gz QMPDDWSOAYWHSU-ROUUACIJSA-N 2 0 358.486 0.944 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652692082 492992119 /nfs/dbraw/zinc/99/21/19/492992119.db2.gz IKBXLLSEEHUKDG-UHFFFAOYSA-N 2 0 360.502 0.913 20 0 FCADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000639163370 493000815 /nfs/dbraw/zinc/00/08/15/493000815.db2.gz XGTMAJWKWAEODS-HOCLYGCPSA-N 2 0 361.552 0.919 20 0 FCADRP CN(Cc1ccc(S(N)(=O)=O)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000639172257 493001283 /nfs/dbraw/zinc/00/12/83/493001283.db2.gz KETVNECPPMTQJA-AWEZNQCLSA-N 2 0 356.492 0.527 20 0 FCADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000639261043 493002949 /nfs/dbraw/zinc/00/29/49/493002949.db2.gz KFOHHNUXNZYITL-IRXDYDNUSA-N 2 0 352.523 0.820 20 0 FCADRP C[NH+]1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)(N2CCOCC2)CC1 ZINC000639261147 493003252 /nfs/dbraw/zinc/00/32/52/493003252.db2.gz LKSXDYQKKNVAMI-UHFFFAOYSA-N 3 0 368.566 0.608 20 0 FCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652723453 493003424 /nfs/dbraw/zinc/00/34/24/493003424.db2.gz ASYKGJCQLAYOCB-KRWDZBQOSA-N 2 0 350.507 0.683 20 0 FCADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000652727912 493006659 /nfs/dbraw/zinc/00/66/59/493006659.db2.gz KHDLOFAMQAXQBG-HZPDHXFCSA-N 2 0 368.522 0.389 20 0 FCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652731002 493009278 /nfs/dbraw/zinc/00/92/78/493009278.db2.gz YWIMYFPCWXJXCT-UXLLHSPISA-N 2 0 366.506 0.284 20 0 FCADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000646069015 493009815 /nfs/dbraw/zinc/00/98/15/493009815.db2.gz IKRUAIFIMAJRHE-QGZVFWFLSA-N 2 0 366.506 0.206 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105718 493013604 /nfs/dbraw/zinc/01/36/04/493013604.db2.gz FCSSWIXLYXLXBM-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000632539430 493024738 /nfs/dbraw/zinc/02/47/38/493024738.db2.gz HNHJEKAVZVNPQF-IAGOWNOFSA-N 2 0 358.552 0.560 20 0 FCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000646214256 493028334 /nfs/dbraw/zinc/02/83/34/493028334.db2.gz PVUSLPAGGKLEKX-ZOBUZTSGSA-N 2 0 363.506 0.701 20 0 FCADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000632559759 493028623 /nfs/dbraw/zinc/02/86/23/493028623.db2.gz NAABEOFFSBFHCX-QGZVFWFLSA-N 2 0 372.579 0.950 20 0 FCADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000626880214 493046563 /nfs/dbraw/zinc/04/65/63/493046563.db2.gz UGPSLNPYPBCGDT-QGZVFWFLSA-N 2 0 360.458 0.368 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646428268 493048506 /nfs/dbraw/zinc/04/85/06/493048506.db2.gz MBXKBDDYRGOQLW-LSDHHAIUSA-N 2 0 350.467 0.213 20 0 FCADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771409 493048575 /nfs/dbraw/zinc/04/85/75/493048575.db2.gz VYVXSEICNUXHMT-SJLPKXTDSA-N 2 0 353.507 0.887 20 0 FCADRP C[NH+]1CCN(C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000626967780 493071404 /nfs/dbraw/zinc/07/14/04/493071404.db2.gz IOGXRXXAOHUCPY-ROUUACIJSA-N 2 0 361.490 0.263 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](N)CC[NH+](C)C)CC2)c1 ZINC000653124618 493075209 /nfs/dbraw/zinc/07/52/09/493075209.db2.gz CFLADYQLTDXNJB-LJQANCHMSA-N 2 0 361.534 0.902 20 0 FCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000653164446 493081421 /nfs/dbraw/zinc/08/14/21/493081421.db2.gz MCYHGFBOGOESCE-QZWWFDLISA-N 2 0 361.490 0.264 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[C@H]1C(F)(F)F ZINC000627044510 493084522 /nfs/dbraw/zinc/08/45/22/493084522.db2.gz NEJGPHAWGLEIBI-CHWSQXEVSA-N 2 0 352.401 0.877 20 0 FCADRP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779087 493087507 /nfs/dbraw/zinc/08/75/07/493087507.db2.gz RPHAOPPYCRSCTN-RFSXOUPVSA-N 2 0 360.502 0.053 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272005 493087965 /nfs/dbraw/zinc/08/79/65/493087965.db2.gz UXRTYPGZTNIKGU-SJORKVTESA-N 2 0 350.507 0.825 20 0 FCADRP CCCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000646765812 493092585 /nfs/dbraw/zinc/09/25/85/493092585.db2.gz LZTQXTFTQFQVIH-OAHLLOKOSA-N 2 0 356.430 1.149 20 0 FCADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000633004859 493101905 /nfs/dbraw/zinc/10/19/05/493101905.db2.gz ISQYUEFQENPQDW-CZUORRHYSA-N 2 0 360.462 0.299 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC000640530503 493112893 /nfs/dbraw/zinc/11/28/93/493112893.db2.gz YTLLLBQOBKDCPN-UHFFFAOYSA-N 2 0 357.480 0.442 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627233165 493112931 /nfs/dbraw/zinc/11/29/31/493112931.db2.gz OGDLONKHMCVGEP-HNNXBMFYSA-N 2 0 365.482 0.065 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000627235731 493115345 /nfs/dbraw/zinc/11/53/45/493115345.db2.gz WZDKBLYVLUCQDX-DOTOQJQBSA-N 2 0 361.494 0.734 20 0 FCADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000633088202 493119065 /nfs/dbraw/zinc/11/90/65/493119065.db2.gz DXJXCNCLHQUGLV-WMZOPIPTSA-N 2 0 356.470 0.682 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000633099008 493124230 /nfs/dbraw/zinc/12/42/30/493124230.db2.gz PAOQNUSQXKRHEM-NJAFHUGGSA-N 2 0 356.470 0.682 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000627290073 493135519 /nfs/dbraw/zinc/13/55/19/493135519.db2.gz DFGBKFXZKHAPHJ-ZIAGYGMSSA-N 2 0 352.504 0.923 20 0 FCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149925 493136789 /nfs/dbraw/zinc/13/67/89/493136789.db2.gz XOEGJBDZYMQSAI-NRSFXHEJSA-N 2 0 356.470 0.525 20 0 FCADRP CC[NH+]1CCC(NC(=O)Cn2cc(COc3ccc(C[NH3+])cc3)nn2)CC1 ZINC000640866918 493140251 /nfs/dbraw/zinc/14/02/51/493140251.db2.gz MUNMPPBOCVIMQO-UHFFFAOYSA-N 2 0 372.473 0.916 20 0 FCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646989817 493141834 /nfs/dbraw/zinc/14/18/34/493141834.db2.gz PTHPBIDOOSVBEM-KRWDZBQOSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312228 493146901 /nfs/dbraw/zinc/14/69/01/493146901.db2.gz TVYVPSASFXOCTF-NVXWUHKLSA-N 2 0 362.474 0.372 20 0 FCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627321369 493150676 /nfs/dbraw/zinc/15/06/76/493150676.db2.gz LJWXHSRVZPRILP-LSDHHAIUSA-N 2 0 368.865 0.164 20 0 FCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC000659098526 493150793 /nfs/dbraw/zinc/15/07/93/493150793.db2.gz AUVRHNGTXFMPMY-ZDUSSCGKSA-N 2 0 363.462 0.123 20 0 FCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC000659098525 493151038 /nfs/dbraw/zinc/15/10/38/493151038.db2.gz AUVRHNGTXFMPMY-CYBMUJFWSA-N 2 0 363.462 0.123 20 0 FCADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627329360 493156275 /nfs/dbraw/zinc/15/62/75/493156275.db2.gz IFTIABBQTICHRY-QGZVFWFLSA-N 2 0 362.474 0.201 20 0 FCADRP CCC[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[NH+](C)C ZINC000647091728 493161472 /nfs/dbraw/zinc/16/14/72/493161472.db2.gz FEEYVZQSTBJTDV-HRCADAONSA-N 2 0 351.495 0.463 20 0 FCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006181 493161574 /nfs/dbraw/zinc/16/15/74/493161574.db2.gz XQWPWHPCEOSUSA-NVXWUHKLSA-N 2 0 372.473 0.705 20 0 FCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627342708 493163267 /nfs/dbraw/zinc/16/32/67/493163267.db2.gz NLTLDZUOIHUDMK-YQQAZPJKSA-N 2 0 358.486 0.737 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627342899 493163566 /nfs/dbraw/zinc/16/35/66/493163566.db2.gz SGSIESYVMAJTPG-WBVHZDCISA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000627353701 493171802 /nfs/dbraw/zinc/17/18/02/493171802.db2.gz IXHYDBXRXPNCRE-GOSISDBHSA-N 2 0 372.513 0.658 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627356582 493173305 /nfs/dbraw/zinc/17/33/05/493173305.db2.gz KOFSYVZYSLGALZ-RYQLBKOJSA-N 2 0 374.485 0.118 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000627358090 493174173 /nfs/dbraw/zinc/17/41/73/493174173.db2.gz ACYLYVFLDAEXAL-QGZVFWFLSA-N 2 0 362.474 0.373 20 0 FCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659427990 493174302 /nfs/dbraw/zinc/17/43/02/493174302.db2.gz VPTXAOQOBJMKIB-AWEZNQCLSA-N 2 0 356.430 0.715 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000627357758 493174736 /nfs/dbraw/zinc/17/47/36/493174736.db2.gz PIZUGFCPCJPHIO-ROUUACIJSA-N 2 0 374.485 0.434 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627358075 493174777 /nfs/dbraw/zinc/17/47/77/493174777.db2.gz ZZGVXHBPDMKIFC-ZACQAIPSSA-N 2 0 352.523 0.927 20 0 FCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627358072 493175123 /nfs/dbraw/zinc/17/51/23/493175123.db2.gz ZZGVXHBPDMKIFC-BBWFWOEESA-N 2 0 352.523 0.927 20 0 FCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659443278 493179701 /nfs/dbraw/zinc/17/97/01/493179701.db2.gz YYVZTGKVYCPVMW-JHJVBQTASA-N 2 0 350.467 0.807 20 0 FCADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627366340 493180896 /nfs/dbraw/zinc/18/08/96/493180896.db2.gz PLQRARUFUYPIJD-KRWDZBQOSA-N 2 0 362.474 0.058 20 0 FCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627365497 493181615 /nfs/dbraw/zinc/18/16/15/493181615.db2.gz QICMQLHVYGPKJN-YNEHKIRRSA-N 2 0 366.428 0.819 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000627372325 493184491 /nfs/dbraw/zinc/18/44/91/493184491.db2.gz JYVBAYWFKRJVEZ-WZRBSPASSA-N 2 0 364.412 0.571 20 0 FCADRP CC[C@@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC[C@@H]1[NH3+] ZINC000647270481 493188722 /nfs/dbraw/zinc/18/87/22/493188722.db2.gz ZXDVMVZKYLWYQW-CABCVRRESA-N 2 0 357.524 0.809 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647303172 493192714 /nfs/dbraw/zinc/19/27/14/493192714.db2.gz LGKUKHWCWWSDLM-CQSZACIVSA-N 2 0 355.508 0.482 20 0 FCADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590871 493217502 /nfs/dbraw/zinc/21/75/02/493217502.db2.gz QNYUFWWHWTXGAE-NUJGCVRESA-N 2 0 350.438 0.637 20 0 FCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659590138 493217604 /nfs/dbraw/zinc/21/76/04/493217604.db2.gz GSQYTBOMPJRLQJ-NUJGCVRESA-N 2 0 352.454 0.883 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659633213 493226417 /nfs/dbraw/zinc/22/64/17/493226417.db2.gz RCUNNVKAMIXJMA-UHFFFAOYSA-N 2 0 373.417 0.076 20 0 FCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000666796309 493228182 /nfs/dbraw/zinc/22/81/82/493228182.db2.gz NOEIXHBEPHZOKI-SFHVURJKSA-N 2 0 373.501 0.583 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000666924835 493237365 /nfs/dbraw/zinc/23/73/65/493237365.db2.gz MBERRTQUPJMIGP-HZPDHXFCSA-N 2 0 351.495 0.419 20 0 FCADRP C[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000666976979 493244426 /nfs/dbraw/zinc/24/44/26/493244426.db2.gz UBQHXFDOJUJHAV-RDJZCZTQSA-N 2 0 368.522 0.726 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000659678218 493247417 /nfs/dbraw/zinc/24/74/17/493247417.db2.gz VQDIBHGKIDGMBY-OAGGEKHMSA-N 2 0 354.495 0.189 20 0 FCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659687769 493253720 /nfs/dbraw/zinc/25/37/20/493253720.db2.gz MLGPEKRDCDNNQL-WBVHZDCISA-N 2 0 362.474 0.118 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659699066 493260347 /nfs/dbraw/zinc/26/03/47/493260347.db2.gz KGPJCEUGDXHCBK-INIZCTEOSA-N 2 0 350.507 0.825 20 0 FCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659710906 493266858 /nfs/dbraw/zinc/26/68/58/493266858.db2.gz UTPURBBEKGHAKS-KRWDZBQOSA-N 2 0 359.474 0.278 20 0 FCADRP [NH3+][C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659712194 493267752 /nfs/dbraw/zinc/26/77/52/493267752.db2.gz HQBDOGAHWMECNQ-SJORKVTESA-N 2 0 360.458 0.172 20 0 FCADRP [NH3+][C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659712191 493267886 /nfs/dbraw/zinc/26/78/86/493267886.db2.gz HQBDOGAHWMECNQ-IAGOWNOFSA-N 2 0 360.458 0.172 20 0 FCADRP CC1(C)CN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC[N@@H+]1CCO ZINC000672951386 493269498 /nfs/dbraw/zinc/26/94/98/493269498.db2.gz FGJSXLFYENLJNB-IRXDYDNUSA-N 2 0 368.522 0.728 20 0 FCADRP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718264 493270651 /nfs/dbraw/zinc/27/06/51/493270651.db2.gz NLBROTMNGLROQZ-DLBZAZTESA-N 2 0 366.506 0.380 20 0 FCADRP CC[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@H]1[NH3+] ZINC000641658764 493271070 /nfs/dbraw/zinc/27/10/70/493271070.db2.gz FPABUMMOSKZRPB-UPJWGTAASA-N 2 0 351.417 0.591 20 0 FCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719537 493271251 /nfs/dbraw/zinc/27/12/51/493271251.db2.gz YSVHTLXLYQMFGP-OFQRWUPVSA-N 2 0 366.506 0.739 20 0 FCADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641667712 493273267 /nfs/dbraw/zinc/27/32/67/493273267.db2.gz ICEYDUMXOHLQLK-SFHVURJKSA-N 2 0 352.523 0.631 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1F ZINC000667297953 493274686 /nfs/dbraw/zinc/27/46/86/493274686.db2.gz UHQVTIXBWFLJIN-UHFFFAOYSA-N 2 0 352.410 0.573 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670887 493275893 /nfs/dbraw/zinc/27/58/93/493275893.db2.gz RCRXCWVAJUMNQL-IAGOWNOFSA-N 2 0 370.563 0.337 20 0 FCADRP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659735352 493278658 /nfs/dbraw/zinc/27/86/58/493278658.db2.gz RYVSJNDSUOWXJF-MRXNPFEDSA-N 3 0 365.522 0.001 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000659738842 493279932 /nfs/dbraw/zinc/27/99/32/493279932.db2.gz IYHGEMYFOPXJLM-IKGGRYGDSA-N 2 0 366.506 0.332 20 0 FCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659739084 493280435 /nfs/dbraw/zinc/28/04/35/493280435.db2.gz MYCPZGCOMSHRIF-IXDOHACOSA-N 2 0 350.507 0.968 20 0 FCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000667480092 493286313 /nfs/dbraw/zinc/28/63/13/493286313.db2.gz VKVYLISOPJBSDV-INIZCTEOSA-N 2 0 364.446 0.142 20 0 FCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[C@H]1[NH3+] ZINC000659754300 493286473 /nfs/dbraw/zinc/28/64/73/493286473.db2.gz DMCQIGQJJCVIKK-IAGOWNOFSA-N 2 0 350.507 0.810 20 0 FCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC000659757543 493287018 /nfs/dbraw/zinc/28/70/18/493287018.db2.gz ZPZPRVWGZNYBMV-RCCFBDPRSA-N 2 0 362.518 0.810 20 0 FCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000667536577 493289327 /nfs/dbraw/zinc/28/93/27/493289327.db2.gz CZIHBKDIWCMPLU-PBHICJAKSA-N 2 0 360.458 0.776 20 0 FCADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655376 493370512 /nfs/dbraw/zinc/37/05/12/493370512.db2.gz LVYBXOJTTOBLOZ-HXUWFJFHSA-N 2 0 372.517 0.933 20 0 FCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000668526855 493371160 /nfs/dbraw/zinc/37/11/60/493371160.db2.gz QBZPDFHZWWUKKA-QAPCUYQASA-N 2 0 370.563 0.777 20 0 FCADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000660830060 493383361 /nfs/dbraw/zinc/38/33/61/493383361.db2.gz KUVQMGSWRBKQQK-WMZOPIPTSA-N 2 0 367.538 0.422 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000668852687 493422097 /nfs/dbraw/zinc/42/20/97/493422097.db2.gz GFZSOSQWMYJGCT-OAHLLOKOSA-N 2 0 368.522 0.593 20 0 FCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000669285563 493489289 /nfs/dbraw/zinc/48/92/89/493489289.db2.gz BRULUOXSCNFGFJ-QGZVFWFLSA-N 2 0 368.522 0.593 20 0 FCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000669452557 493504360 /nfs/dbraw/zinc/50/43/60/493504360.db2.gz SHYDDODJHSZYEL-FUHWJXTLSA-N 2 0 373.501 0.871 20 0 FCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295934 493504457 /nfs/dbraw/zinc/50/44/57/493504457.db2.gz JDTWGECYOIRWKI-CRAIPNDOSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486531 493506724 /nfs/dbraw/zinc/50/67/24/493506724.db2.gz UPPGBQXJAQURET-ULQDDVLXSA-N 2 0 353.511 0.304 20 0 FCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn[nH]c3[C@@H]3CC[NH2+]C3)nc2)CC1 ZINC000662389165 493511668 /nfs/dbraw/zinc/51/16/68/493511668.db2.gz YASWDEXIQVHWPJ-CYBMUJFWSA-N 2 0 355.446 0.886 20 0 FCADRP Cc1c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662408604 493513805 /nfs/dbraw/zinc/51/38/05/493513805.db2.gz YJOIECHHUBDZNE-CQSZACIVSA-N 2 0 356.434 0.178 20 0 FCADRP C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994315 493516612 /nfs/dbraw/zinc/51/66/12/493516612.db2.gz ABNRCCWGNBFPEB-WBVHZDCISA-N 2 0 365.522 0.665 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000675995121 493516750 /nfs/dbraw/zinc/51/67/50/493516750.db2.gz NNUPQKFPAQIOLV-DLBZAZTESA-N 2 0 363.506 0.419 20 0 FCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662559950 493526092 /nfs/dbraw/zinc/52/60/92/493526092.db2.gz CGYCUKHNRKIINV-ZDUSSCGKSA-N 2 0 350.488 0.854 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662561594 493526113 /nfs/dbraw/zinc/52/61/13/493526113.db2.gz SIDMIDUJYJYBOF-CMPLNLGQSA-N 2 0 360.384 0.053 20 0 FCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000676166730 493528478 /nfs/dbraw/zinc/52/84/78/493528478.db2.gz DKLNSNRPTWCNPB-ZWKOTPCHSA-N 2 0 368.522 0.774 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662702678 493532978 /nfs/dbraw/zinc/53/29/78/493532978.db2.gz CFILEUARAWSDLD-MSOLQXFVSA-N 2 0 374.485 0.729 20 0 FCADRP Cc1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662758411 493539769 /nfs/dbraw/zinc/53/97/69/493539769.db2.gz RPMWLRCXIGHYAW-CQSZACIVSA-N 2 0 370.461 0.520 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@](F)(CO)C1 ZINC000670117541 493547020 /nfs/dbraw/zinc/54/70/20/493547020.db2.gz GTFLGFLUXFZLGI-GOSISDBHSA-N 2 0 365.453 0.710 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000662865854 493548266 /nfs/dbraw/zinc/54/82/66/493548266.db2.gz PAHVPCWBCWJDHX-GVDBMIGSSA-N 2 0 354.458 0.996 20 0 FCADRP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901106 493550028 /nfs/dbraw/zinc/55/00/28/493550028.db2.gz SPYADMCEWNCIRB-GOEBONIOSA-N 2 0 360.506 0.727 20 0 FCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000662924787 493554406 /nfs/dbraw/zinc/55/44/06/493554406.db2.gz HULUIYQZYCJWON-UHFFFAOYSA-N 2 0 352.454 0.912 20 0 FCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662946169 493558885 /nfs/dbraw/zinc/55/88/85/493558885.db2.gz BBTBGSIEJXNOCM-FUHWJXTLSA-N 2 0 358.486 0.582 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000670545576 493579206 /nfs/dbraw/zinc/57/92/06/493579206.db2.gz XAWWXHYBBPLLBV-MRXNPFEDSA-N 2 0 368.522 0.593 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000663416733 493587990 /nfs/dbraw/zinc/58/79/90/493587990.db2.gz PYSIKBSDGSRWII-QGZVFWFLSA-N 2 0 363.506 0.951 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670787486 493596769 /nfs/dbraw/zinc/59/67/69/493596769.db2.gz CAWZWAOPTDCADT-GDBMZVCRSA-N 2 0 355.442 0.736 20 0 FCADRP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670787487 493596884 /nfs/dbraw/zinc/59/68/84/493596884.db2.gz CAWZWAOPTDCADT-GOEBONIOSA-N 2 0 355.442 0.736 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000670804567 493598525 /nfs/dbraw/zinc/59/85/25/493598525.db2.gz LMIKUXSDBDGLAG-DLBZAZTESA-N 2 0 350.507 0.966 20 0 FCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000663613499 493604087 /nfs/dbraw/zinc/60/40/87/493604087.db2.gz RLTYHYZHRWGQMW-GOSISDBHSA-N 2 0 361.446 0.384 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000670997788 493621896 /nfs/dbraw/zinc/62/18/96/493621896.db2.gz LEXOAJBBZOATBI-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071375 493629109 /nfs/dbraw/zinc/62/91/09/493629109.db2.gz FZEOUUHECARNPU-SUMWQHHRSA-N 2 0 356.536 0.386 20 0 FCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCC1 ZINC000671071100 493629133 /nfs/dbraw/zinc/62/91/33/493629133.db2.gz GRDBMJMOWJCACZ-SFHVURJKSA-N 2 0 370.563 0.778 20 0 FCADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000671390473 493663220 /nfs/dbraw/zinc/66/32/20/493663220.db2.gz RJPJJHRYCQEJIC-NVXWUHKLSA-N 2 0 362.474 0.070 20 0 FCADRP CC(C)(CO)[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000679316987 493675443 /nfs/dbraw/zinc/67/54/43/493675443.db2.gz UPRBZWIJSQNGSL-UHFFFAOYSA-N 2 0 353.507 0.937 20 0 FCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000671815789 493707253 /nfs/dbraw/zinc/70/72/53/493707253.db2.gz FUITYWSEJRQACI-DAYGRLMNSA-N 2 0 360.502 0.815 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820100 493707630 /nfs/dbraw/zinc/70/76/30/493707630.db2.gz GNGZUBJZRIXRIR-WBVHZDCISA-N 2 0 367.538 0.070 20 0 FCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014204 493724933 /nfs/dbraw/zinc/72/49/33/493724933.db2.gz KTXHOJLKTPHEBV-DOTOQJQBSA-N 2 0 350.507 0.920 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000672166105 493740040 /nfs/dbraw/zinc/74/00/40/493740040.db2.gz RZXFQNNBCMXOBZ-RHSMWYFYSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681164133 493748170 /nfs/dbraw/zinc/74/81/70/493748170.db2.gz NTGIUIWWCUSJMX-KRWDZBQOSA-N 2 0 360.506 0.939 20 0 FCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672305135 493751795 /nfs/dbraw/zinc/75/17/95/493751795.db2.gz CTXAJDWIJIGPOM-IRXDYDNUSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304043 493752377 /nfs/dbraw/zinc/75/23/77/493752377.db2.gz FXTGUIHMWUGUQB-IAGOWNOFSA-N 2 0 350.507 0.681 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H]1C ZINC000672311499 493754623 /nfs/dbraw/zinc/75/46/23/493754623.db2.gz FFSRBFHZZIQAGE-OIISXLGYSA-N 2 0 350.507 0.918 20 0 FCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310826 493755153 /nfs/dbraw/zinc/75/51/53/493755153.db2.gz JHBSPPNHJGRYAP-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011218 674338342 /nfs/dbraw/zinc/33/83/42/674338342.db2.gz QGDVTLAJILEDCK-JKSUJKDBSA-N 2 0 354.495 0.155 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731984 527827587 /nfs/dbraw/zinc/82/75/87/527827587.db2.gz RBESLOJWDAVOJP-BBWFWOEESA-N 2 0 350.507 0.872 20 0 FCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000410434821 528248817 /nfs/dbraw/zinc/24/88/17/528248817.db2.gz PELGPIXWXIELDY-SJORKVTESA-N 2 0 368.522 0.498 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410812174 528433633 /nfs/dbraw/zinc/43/36/33/528433633.db2.gz SXCMIMZXKSXDHD-QGZVFWFLSA-N 2 0 368.522 0.357 20 0 FCADRP CCN(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000412420517 528566890 /nfs/dbraw/zinc/56/68/90/528566890.db2.gz AJJPECWDTQBQRY-HOTGVXAUSA-N 2 0 354.495 0.156 20 0 FCADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)N1CCOCC1 ZINC000411475174 528583678 /nfs/dbraw/zinc/58/36/78/528583678.db2.gz SHRFDQBIJJXCQU-GOSISDBHSA-N 2 0 368.522 0.448 20 0 FCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173919740 529148171 /nfs/dbraw/zinc/14/81/71/529148171.db2.gz WCKNNKHUFXCCTA-MRXNPFEDSA-N 2 0 365.526 0.840 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCCC1 ZINC000419129244 534993134 /nfs/dbraw/zinc/99/31/34/534993134.db2.gz XVVORAIXVCBTKQ-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415080937 535049027 /nfs/dbraw/zinc/04/90/27/535049027.db2.gz MKZPODIIXANYLF-OAHLLOKOSA-N 2 0 361.490 0.882 20 0 FCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419973515 535069362 /nfs/dbraw/zinc/06/93/62/535069362.db2.gz JCMPPWOBIHITBO-IXDOHACOSA-N 2 0 367.538 0.103 20 0 FCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419158188 535076400 /nfs/dbraw/zinc/07/64/00/535076400.db2.gz WFGQHEMCWRTUJL-LPHOPBHVSA-N 2 0 352.523 0.977 20 0 FCADRP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000419392591 535083508 /nfs/dbraw/zinc/08/35/08/535083508.db2.gz LNCSHEUQZQBBDW-UHFFFAOYSA-N 2 0 358.486 0.937 20 0 FCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419906219 535159699 /nfs/dbraw/zinc/15/96/99/535159699.db2.gz BSJLNNWIKAYFRV-UHFFFAOYSA-N 2 0 354.495 0.206 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551630 535170793 /nfs/dbraw/zinc/17/07/93/535170793.db2.gz OEVKURMRZVQKKC-HZPDHXFCSA-N 2 0 353.511 0.603 20 0 FCADRP CCCN(C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660095 535186757 /nfs/dbraw/zinc/18/67/57/535186757.db2.gz JNJQXJGOXWMJPT-WBVHZDCISA-N 2 0 366.506 0.299 20 0 FCADRP CCCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419692300 535190479 /nfs/dbraw/zinc/19/04/79/535190479.db2.gz XVXLMGLRHVFBRP-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419282716 535218635 /nfs/dbraw/zinc/21/86/35/535218635.db2.gz IOSHZBXLEJKFIM-IAGOWNOFSA-N 2 0 368.522 0.579 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419761649 535298162 /nfs/dbraw/zinc/29/81/62/535298162.db2.gz KUSCZFUAJGKZDF-SJORKVTESA-N 2 0 368.522 0.579 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322411 535475540 /nfs/dbraw/zinc/47/55/40/535475540.db2.gz TUYQDAOELWOLFH-JKSUJKDBSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423483092 535523813 /nfs/dbraw/zinc/52/38/13/535523813.db2.gz YFICSDIKAPAKGR-CHWSQXEVSA-N 2 0 366.428 0.915 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423513584 535542519 /nfs/dbraw/zinc/54/25/19/535542519.db2.gz CKQHIFQZPZZSBY-IYBDPMFKSA-N 2 0 368.522 0.545 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423610254 535542589 /nfs/dbraw/zinc/54/25/89/535542589.db2.gz QTGIUHWVQSMITD-HNNXBMFYSA-N 2 0 354.495 0.156 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000423590324 535542795 /nfs/dbraw/zinc/54/27/95/535542795.db2.gz IDMFSDHBKPWZDE-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419931147 535543875 /nfs/dbraw/zinc/54/38/75/535543875.db2.gz CRVFFWKFGPPXJG-MRXNPFEDSA-N 2 0 368.522 0.594 20 0 FCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419885521 535544421 /nfs/dbraw/zinc/54/44/21/535544421.db2.gz HIEHSBFUTWCXFS-HNNXBMFYSA-N 2 0 354.495 0.204 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](CC[NH3+])C2)CC1=O ZINC000442618073 535551317 /nfs/dbraw/zinc/55/13/17/535551317.db2.gz NXHXBPXXHNTWBS-BRWVUGGUSA-N 2 0 350.507 0.907 20 0 FCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419342353 535555517 /nfs/dbraw/zinc/55/55/17/535555517.db2.gz PFHGTKPDIADGIC-INIZCTEOSA-N 2 0 362.474 0.583 20 0 FCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423522843 535578732 /nfs/dbraw/zinc/57/87/32/535578732.db2.gz HSNTUEYFDLZHOD-QZTJIDSGSA-N 2 0 360.502 0.863 20 0 FCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424300557 535636451 /nfs/dbraw/zinc/63/64/51/535636451.db2.gz WSISJAJWVLZFNG-HNNXBMFYSA-N 2 0 360.506 0.676 20 0 FCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000424179990 535734622 /nfs/dbraw/zinc/73/46/22/535734622.db2.gz MTIAHGRQCHQZIC-JKSUJKDBSA-N 2 0 360.506 0.729 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CC1 ZINC000415315284 535749742 /nfs/dbraw/zinc/74/97/42/535749742.db2.gz ZATABMCKMQWRFC-UHFFFAOYSA-N 2 0 373.501 0.964 20 0 FCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2)CC1 ZINC000419796952 535750125 /nfs/dbraw/zinc/75/01/25/535750125.db2.gz QSKJXVYKKMEKBD-UHFFFAOYSA-N 2 0 373.501 0.977 20 0 FCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1=O ZINC000424041123 535881851 /nfs/dbraw/zinc/88/18/51/535881851.db2.gz SPUALLYNPQZZBS-UKPHBRMFSA-N 2 0 362.449 0.489 20 0 FCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000419714873 535927631 /nfs/dbraw/zinc/92/76/31/535927631.db2.gz USISVFPFGUZRCJ-HXUWFJFHSA-N 2 0 358.486 0.619 20 0 FCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419840678 535944031 /nfs/dbraw/zinc/94/40/31/535944031.db2.gz JAMZIQKUFSBLMH-MSOLQXFVSA-N 2 0 358.486 0.978 20 0 FCADRP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000419227982 535946009 /nfs/dbraw/zinc/94/60/09/535946009.db2.gz LOBWMLKTTAMUEI-DLBZAZTESA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423829563 536110169 /nfs/dbraw/zinc/11/01/69/536110169.db2.gz TXVONPXJKGGYCI-ROUUACIJSA-N 2 0 358.486 0.978 20 0 FCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419160641 536336299 /nfs/dbraw/zinc/33/62/99/536336299.db2.gz QGJRVWXYTIFILM-QGZVFWFLSA-N 2 0 350.507 0.825 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000419823126 536368375 /nfs/dbraw/zinc/36/83/75/536368375.db2.gz PTSSFDDLEQLXOM-SJLPKXTDSA-N 2 0 374.485 0.769 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423615737 536368540 /nfs/dbraw/zinc/36/85/40/536368540.db2.gz VHNGIRLVSIWWGJ-GUDVDZBRSA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000419180277 536368610 /nfs/dbraw/zinc/36/86/10/536368610.db2.gz ALUPHVZFCBXYHM-QGZVFWFLSA-N 2 0 362.449 0.727 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000419400135 536369109 /nfs/dbraw/zinc/36/91/09/536369109.db2.gz LHVHMLIVEZLFAI-KBAYOESNSA-N 2 0 358.486 0.834 20 0 FCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000415291737 536417698 /nfs/dbraw/zinc/41/76/98/536417698.db2.gz ACJZUBSOTBLAJD-HNNXBMFYSA-N 2 0 362.499 0.994 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423657727 536433305 /nfs/dbraw/zinc/43/33/05/536433305.db2.gz ZPBFNDCXJRDKBS-ZWKOTPCHSA-N 2 0 358.486 0.917 20 0 FCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419878209 536433638 /nfs/dbraw/zinc/43/36/38/536433638.db2.gz YSEBXFDBXIIFJV-FUHWJXTLSA-N 2 0 358.486 0.820 20 0 FCADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423712385 536448988 /nfs/dbraw/zinc/44/89/88/536448988.db2.gz OEQVRCLMTZSNAV-QRVBRYPASA-N 2 0 370.497 0.787 20 0 FCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419926642 536450171 /nfs/dbraw/zinc/45/01/71/536450171.db2.gz BLTIZDQNKYTQQJ-NXHRZFHOSA-N 2 0 358.486 0.549 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419761525 536481420 /nfs/dbraw/zinc/48/14/20/536481420.db2.gz KJKAWXRSXVXVMU-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419765154 536481570 /nfs/dbraw/zinc/48/15/70/536481570.db2.gz QBJDJKZDDRWECK-MSOLQXFVSA-N 2 0 358.486 0.963 20 0 FCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424520140 536495606 /nfs/dbraw/zinc/49/56/06/536495606.db2.gz KLPOACDSBHRPKM-OAHLLOKOSA-N 2 0 354.495 0.062 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419754538 536747269 /nfs/dbraw/zinc/74/72/69/536747269.db2.gz PAGIYSUMAKHJSW-OKILXGFUSA-N 2 0 354.495 0.201 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423450795 536774822 /nfs/dbraw/zinc/77/48/22/536774822.db2.gz UFVYLGXZFADWSZ-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423450796 536776039 /nfs/dbraw/zinc/77/60/39/536776039.db2.gz UFVYLGXZFADWSZ-MRXNPFEDSA-N 2 0 368.522 0.404 20 0 FCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000419872741 536893144 /nfs/dbraw/zinc/89/31/44/536893144.db2.gz CULYUCRKNPLSRM-NJAFHUGGSA-N 2 0 374.485 0.419 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)c1 ZINC000419949396 537113841 /nfs/dbraw/zinc/11/38/41/537113841.db2.gz HDDWGPSJJYFMEJ-AWEZNQCLSA-N 2 0 363.462 0.228 20 0 FCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000419896855 537114004 /nfs/dbraw/zinc/11/40/04/537114004.db2.gz NUDNUEWXGNHGFS-UONOGXRCSA-N 2 0 361.446 0.125 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC000948385916 674376310 /nfs/dbraw/zinc/37/63/10/674376310.db2.gz RGAVSMCOFWOIIZ-DJIMGWMZSA-N 2 0 350.507 0.918 20 0 FCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)oc1C ZINC000530951102 546515885 /nfs/dbraw/zinc/51/58/85/546515885.db2.gz UTZIWRQSCCLNPC-UHFFFAOYSA-N 2 0 361.464 0.489 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000332705708 546854737 /nfs/dbraw/zinc/85/47/37/546854737.db2.gz WAOOQZRFBUIALD-KZNAEPCWSA-N 2 0 353.507 0.837 20 0 FCADRP COCC[NH2+]CCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418505925 546907098 /nfs/dbraw/zinc/90/70/98/546907098.db2.gz GMTDZAJYLYJYOX-HOTGVXAUSA-N 2 0 356.511 0.753 20 0 FCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000550094193 547077136 /nfs/dbraw/zinc/07/71/36/547077136.db2.gz DUKUQFNCFSPZQF-MRXNPFEDSA-N 2 0 354.495 0.014 20 0 FCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550690546 547099145 /nfs/dbraw/zinc/09/91/45/547099145.db2.gz JHDKRCFDBZLTGV-YOEHRIQHSA-N 2 0 350.507 0.822 20 0 FCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550835464 547110346 /nfs/dbraw/zinc/11/03/46/547110346.db2.gz MTFHUAXVCUDEKF-KSSFIOAISA-N 2 0 370.563 0.729 20 0 FCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550838431 547110476 /nfs/dbraw/zinc/11/04/76/547110476.db2.gz HITIMYWZQRZKNN-WMLDXEAASA-N 2 0 356.536 0.340 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000551068559 547123730 /nfs/dbraw/zinc/12/37/30/547123730.db2.gz CCIZAOCJZPWNEU-SJORKVTESA-N 2 0 350.507 0.921 20 0 FCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000551210839 547134230 /nfs/dbraw/zinc/13/42/30/547134230.db2.gz ABDPSOSVZBVLAH-YOEHRIQHSA-N 2 0 356.536 0.340 20 0 FCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551220729 547135995 /nfs/dbraw/zinc/13/59/95/547135995.db2.gz OERXKUVHUZTMQA-KRWDZBQOSA-N 2 0 356.536 0.484 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278625 547139329 /nfs/dbraw/zinc/13/93/29/547139329.db2.gz SALOZDNGHCROLA-HZPDHXFCSA-N 2 0 350.507 0.681 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000551490140 547148120 /nfs/dbraw/zinc/14/81/20/547148120.db2.gz LLFSLLYHRQSTBD-ZACQAIPSSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552687194 547223702 /nfs/dbraw/zinc/22/37/02/547223702.db2.gz CENBWOJGINCQNZ-BFYDXBDKSA-N 2 0 350.507 0.822 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704542 547226175 /nfs/dbraw/zinc/22/61/75/547226175.db2.gz LTMHLBUGUXKZKT-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704541 547226313 /nfs/dbraw/zinc/22/63/13/547226313.db2.gz LTMHLBUGUXKZKT-HZPDHXFCSA-N 2 0 354.495 0.060 20 0 FCADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000552769434 547232088 /nfs/dbraw/zinc/23/20/88/547232088.db2.gz DZUFHBFHVPPPLR-ODZFXCKXSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000553037939 547248521 /nfs/dbraw/zinc/24/85/21/547248521.db2.gz MLGIRJBDMDFTPW-GDBMZVCRSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000553093268 547253120 /nfs/dbraw/zinc/25/31/20/547253120.db2.gz AUCHGTOMZRAZNN-INIZCTEOSA-N 2 0 350.507 0.777 20 0 FCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C[C@H]1C ZINC000553372644 547274256 /nfs/dbraw/zinc/27/42/56/547274256.db2.gz ZSLMOJFKGPHFSS-PMPSAXMXSA-N 2 0 354.495 0.155 20 0 FCADRP Cc1nc(C)c(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000553695411 547300445 /nfs/dbraw/zinc/30/04/45/547300445.db2.gz XADXMQSCSRBGGO-UHFFFAOYSA-N 2 0 369.535 0.370 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)O1 ZINC000948541657 674380350 /nfs/dbraw/zinc/38/03/50/674380350.db2.gz HMMHWPPCJQTHQX-OWCLPIDISA-N 2 0 354.495 0.107 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000948965350 674391101 /nfs/dbraw/zinc/39/11/01/674391101.db2.gz DMCYOUWGEBBIDW-NVXWUHKLSA-N 2 0 350.507 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000949011190 674391969 /nfs/dbraw/zinc/39/19/69/674391969.db2.gz SPWMZHPSKDYPDI-OIISXLGYSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000949186998 674396800 /nfs/dbraw/zinc/39/68/00/674396800.db2.gz BBIZSMWBYJSKNC-DJIMGWMZSA-N 2 0 350.507 0.633 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+](C[C@H](C)O)CCO3)CC[N@@H+]1C ZINC000949370322 674403009 /nfs/dbraw/zinc/40/30/09/674403009.db2.gz PHHCOOIDNBVYKX-YESZJQIVSA-N 2 0 353.507 0.791 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949887534 674415118 /nfs/dbraw/zinc/41/51/18/674415118.db2.gz YZXIQRHNOPICCF-ZACQAIPSSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000949943501 674416530 /nfs/dbraw/zinc/41/65/30/674416530.db2.gz CLULTJYWPLNWIV-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000950255328 674423511 /nfs/dbraw/zinc/42/35/11/674423511.db2.gz KYCVZRFXRSPARR-IXDOHACOSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000950798064 674439284 /nfs/dbraw/zinc/43/92/84/674439284.db2.gz UYZCPNWWOWAUEM-DJIMGWMZSA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000951254777 674453657 /nfs/dbraw/zinc/45/36/57/674453657.db2.gz FPPISINPWAWLJC-HYVNUMGLSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC000954410900 674496723 /nfs/dbraw/zinc/49/67/23/674496723.db2.gz MTCJOIXOZKFCHE-MXASKKJJSA-N 2 0 350.507 0.726 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000954952162 674507507 /nfs/dbraw/zinc/50/75/07/674507507.db2.gz ANKHZAKDFGSMKL-GDBMZVCRSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000956379780 674522279 /nfs/dbraw/zinc/52/22/79/674522279.db2.gz YZOOVXJYKAKFRN-OWCLPIDISA-N 2 0 350.507 0.776 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000956387058 674522501 /nfs/dbraw/zinc/52/25/01/674522501.db2.gz DHPZMYFLTYSSOS-BZUAXINKSA-N 2 0 350.507 0.776 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COCC[C@H]1OC ZINC000898097796 665803379 /nfs/dbraw/zinc/80/33/79/665803379.db2.gz GYHMIIFJEQTFEY-BRWVUGGUSA-N 2 0 356.511 0.848 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](CCCO)C1 ZINC000969687396 663188948 /nfs/dbraw/zinc/18/89/48/663188948.db2.gz NRLONHZIVJQHPU-OLMNPRSZSA-N 2 0 353.507 0.552 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891339470 663351965 /nfs/dbraw/zinc/35/19/65/663351965.db2.gz BUAXIECJFLEAPP-JSGCOSHPSA-N 2 0 365.444 0.791 20 0 FCADRP C[NH+](C)CCN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891339472 663352001 /nfs/dbraw/zinc/35/20/01/663352001.db2.gz BUAXIECJFLEAPP-TZMCWYRMSA-N 2 0 365.444 0.791 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891356250 663358259 /nfs/dbraw/zinc/35/82/59/663358259.db2.gz HMBQHHGUGBEEGT-OAHLLOKOSA-N 2 0 361.481 0.948 20 0 FCADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891439225 663391277 /nfs/dbraw/zinc/39/12/77/663391277.db2.gz FZMSLANAEOLEMU-MRXNPFEDSA-N 2 0 354.495 0.555 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000971566239 663398009 /nfs/dbraw/zinc/39/80/09/663398009.db2.gz CGKANWQQUSSTAS-IXDOHACOSA-N 2 0 350.507 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001022106452 663405554 /nfs/dbraw/zinc/40/55/54/663405554.db2.gz IQOGZHNGPDDEIH-LJISPDSOSA-N 2 0 350.463 0.103 20 0 FCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000891482586 663408956 /nfs/dbraw/zinc/40/89/56/663408956.db2.gz KITJWWOCWKTFMK-CVEARBPZSA-N 2 0 353.511 0.713 20 0 FCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000891513453 663410896 /nfs/dbraw/zinc/41/08/96/663410896.db2.gz CIPGULPBMJUUHN-HRCADAONSA-N 2 0 352.479 0.308 20 0 FCADRP C[N@@H+]1CCN(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000891880954 663445768 /nfs/dbraw/zinc/44/57/68/663445768.db2.gz QCLBUFFIEWLKTC-STQMWFEESA-N 2 0 365.444 0.791 20 0 FCADRP [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891971007 663459398 /nfs/dbraw/zinc/45/93/98/663459398.db2.gz LQFRPCXDGULYLW-UHFFFAOYSA-N 2 0 353.854 0.242 20 0 FCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891973720 663460080 /nfs/dbraw/zinc/46/00/80/663460080.db2.gz XIWYTDBDHCTDGO-DLBZAZTESA-N 2 0 353.511 0.224 20 0 FCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000891980251 663460675 /nfs/dbraw/zinc/46/06/75/663460675.db2.gz UMOZLWMMSFVOAN-HNNXBMFYSA-N 2 0 351.495 0.501 20 0 FCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892080454 663473962 /nfs/dbraw/zinc/47/39/62/663473962.db2.gz XZAYUGHSSHDTHW-HUUCEWRRSA-N 2 0 351.495 0.500 20 0 FCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@H]21 ZINC000892107640 663476954 /nfs/dbraw/zinc/47/69/54/663476954.db2.gz LVPVYQIDIBQSBH-MGPQQGTHSA-N 2 0 363.428 0.558 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000892108013 663477203 /nfs/dbraw/zinc/47/72/03/663477203.db2.gz OSZFVJRQUXMCPV-AVGNSLFASA-N 2 0 351.417 0.639 20 0 FCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892109032 663477398 /nfs/dbraw/zinc/47/73/98/663477398.db2.gz YLCKTMTZZTWRQM-WDEREUQCSA-N 2 0 373.370 0.367 20 0 FCADRP COCC1(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)CC[NH2+]CC1 ZINC000892114557 663478198 /nfs/dbraw/zinc/47/81/98/663478198.db2.gz ZUSJIFWGPGAIME-UHFFFAOYSA-N 2 0 353.492 0.686 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000892191085 663488332 /nfs/dbraw/zinc/48/83/32/663488332.db2.gz JVYNZSSPYMBIIG-DUQPFJRNSA-N 3 0 351.539 0.755 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21)[NH+](C)C ZINC001022737485 663507084 /nfs/dbraw/zinc/50/70/84/663507084.db2.gz LKQWYSCXJAHNFH-LUKYLMHMSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892283389 663521290 /nfs/dbraw/zinc/52/12/90/663521290.db2.gz XCBPPUFNJRRVAL-IXDOHACOSA-N 2 0 353.511 0.223 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001023376162 663620026 /nfs/dbraw/zinc/62/00/26/663620026.db2.gz XJVCANKYWPPEKM-JQHSSLGASA-N 2 0 353.507 0.554 20 0 FCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935799772 664050609 /nfs/dbraw/zinc/05/06/09/664050609.db2.gz PQTHFEIGLSTUEH-INIZCTEOSA-N 2 0 354.495 0.108 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000973336132 664099361 /nfs/dbraw/zinc/09/93/61/664099361.db2.gz WWTBFERFMUVNKW-QUSNUVHPSA-N 2 0 350.507 0.964 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C(F)(F)F ZINC000892761464 664138170 /nfs/dbraw/zinc/13/81/70/664138170.db2.gz WKQUZIVBTRWCLO-UPJWGTAASA-N 2 0 364.412 0.924 20 0 FCADRP COCCC1(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC000892760489 664138660 /nfs/dbraw/zinc/13/86/60/664138660.db2.gz PYYBCPPFNMPNCI-OAHLLOKOSA-N 2 0 354.495 0.603 20 0 FCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892820848 664146525 /nfs/dbraw/zinc/14/65/25/664146525.db2.gz WRONKVPUKAXYMP-NCOADZHNSA-N 2 0 352.479 0.090 20 0 FCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)C2 ZINC000892880036 664153098 /nfs/dbraw/zinc/15/30/98/664153098.db2.gz XYRIGOFDQYOAHG-GFCCVEGCSA-N 2 0 353.492 0.516 20 0 FCADRP O=C(NCC[NH+]1CCC(O)CC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000893014021 664199366 /nfs/dbraw/zinc/19/93/66/664199366.db2.gz VFSWQOJVEHHYER-KRWDZBQOSA-N 2 0 354.495 0.386 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974186297 664227176 /nfs/dbraw/zinc/22/71/76/664227176.db2.gz HHPFZKCFXJUPGY-UUAJXVIYSA-N 2 0 350.507 0.964 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC000959952533 674603209 /nfs/dbraw/zinc/60/32/09/674603209.db2.gz KZOXUCUYBJITMK-ZBRFXRBCSA-N 2 0 351.491 0.162 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@@H+]1C ZINC000974606711 664268577 /nfs/dbraw/zinc/26/85/77/664268577.db2.gz SRMXRLHFRJJJRI-KFWWJZLASA-N 2 0 351.495 0.178 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)C1 ZINC000976697872 664395344 /nfs/dbraw/zinc/39/53/44/664395344.db2.gz GAXPFZXTVSVSGY-GVDBMIGSSA-N 2 0 350.507 0.968 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000978834015 664446933 /nfs/dbraw/zinc/44/69/33/664446933.db2.gz BYOACLHXZMDBOH-ZOFXXKQRSA-N 2 0 350.507 0.679 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000978875718 664448766 /nfs/dbraw/zinc/44/87/66/664448766.db2.gz RLCWGSWITWQOEV-NWHWRWDZSA-N 2 0 350.507 0.678 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001027894775 664472879 /nfs/dbraw/zinc/47/28/79/664472879.db2.gz PZGVHWXABJUAIU-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001027895498 664472889 /nfs/dbraw/zinc/47/28/89/664472889.db2.gz XAOMWVYQVTWLIK-RBSFLKMASA-N 2 0 350.463 0.056 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC000981194755 664817245 /nfs/dbraw/zinc/81/72/45/664817245.db2.gz VWYQJYPXAACLHX-BRWVUGGUSA-N 2 0 350.507 0.777 20 0 FCADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000981650300 664834356 /nfs/dbraw/zinc/83/43/56/664834356.db2.gz AFZWJFKVQGRRGM-DOTOQJQBSA-N 2 0 350.507 0.825 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@H]2C1 ZINC000893739470 664872906 /nfs/dbraw/zinc/87/29/06/664872906.db2.gz BCIBADZUXNZJRQ-CYGHRXIMSA-N 2 0 350.507 0.957 20 0 FCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nc(Br)nn2C)CC1 ZINC000894241130 664932148 /nfs/dbraw/zinc/93/21/48/664932148.db2.gz HNUYSIYYRCCOJF-UHFFFAOYSA-N 2 0 359.316 0.941 20 0 FCADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924958495 664945063 /nfs/dbraw/zinc/94/50/63/664945063.db2.gz LNSQTDMRZPDUNC-MRXNPFEDSA-N 2 0 374.595 0.910 20 0 FCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896382068 665082916 /nfs/dbraw/zinc/08/29/16/665082916.db2.gz WHPGETCFGAXCRP-SFHVURJKSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985440020 665167324 /nfs/dbraw/zinc/16/73/24/665167324.db2.gz CRXWAYMROJPXCN-DJIMGWMZSA-N 2 0 350.507 0.870 20 0 FCADRP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985492194 665171092 /nfs/dbraw/zinc/17/10/92/665171092.db2.gz UTSJHGAIEKJEBH-YESZJQIVSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)[NH+](C)C ZINC000986130847 665203248 /nfs/dbraw/zinc/20/32/48/665203248.db2.gz NQTTYTFFODHQNF-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000888169352 665284945 /nfs/dbraw/zinc/28/49/45/665284945.db2.gz HNDPEGRIPHFEAK-JKSUJKDBSA-N 2 0 353.511 0.868 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897480356 665292266 /nfs/dbraw/zinc/29/22/66/665292266.db2.gz XMEWPTGIGCJRLP-MRXNPFEDSA-N 2 0 353.511 0.666 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000988782212 665314191 /nfs/dbraw/zinc/31/41/91/665314191.db2.gz FXYATLVUBCNJIB-PVAVHDDUSA-N 2 0 350.507 0.918 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[C@@]1(O)CCOC1 ZINC000905202684 666011940 /nfs/dbraw/zinc/01/19/40/666011940.db2.gz HOJOJSNSCQJLBY-QRVBRYPASA-N 2 0 350.459 0.245 20 0 FCADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[C@]1(O)CCOC1 ZINC000905202681 666012001 /nfs/dbraw/zinc/01/20/01/666012001.db2.gz HOJOJSNSCQJLBY-GUDVDZBRSA-N 2 0 350.459 0.245 20 0 FCADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000906412091 666052937 /nfs/dbraw/zinc/05/29/37/666052937.db2.gz RTZBCDFYKAGOFZ-SOLBZPMBSA-N 2 0 352.523 0.580 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000907515696 666140689 /nfs/dbraw/zinc/14/06/89/666140689.db2.gz CLYOGPYLQXLHAR-MSOLQXFVSA-N 2 0 354.539 0.706 20 0 FCADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000907602881 666146752 /nfs/dbraw/zinc/14/67/52/666146752.db2.gz FZEHJVGIWBZAFN-QGZVFWFLSA-N 2 0 354.539 0.706 20 0 FCADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908204024 666194645 /nfs/dbraw/zinc/19/46/45/666194645.db2.gz UDOWBSXPVYABTG-ZGUYJTEBSA-N 2 0 351.491 0.545 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000908541719 666211313 /nfs/dbraw/zinc/21/13/13/666211313.db2.gz VMJADBIPCLBXOG-SFHVURJKSA-N 2 0 354.539 0.756 20 0 FCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982066 666301699 /nfs/dbraw/zinc/30/16/99/666301699.db2.gz AFGFAHKSFXQTNK-CVEARBPZSA-N 2 0 354.495 0.252 20 0 FCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911027964 666304202 /nfs/dbraw/zinc/30/42/02/666304202.db2.gz GECSJXAQINVJIS-UHDSXZAQSA-N 2 0 350.507 0.537 20 0 FCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CC(C)C ZINC000911068027 666309510 /nfs/dbraw/zinc/30/95/10/666309510.db2.gz JRVHFTFVNOXWMO-GVDBMIGSSA-N 2 0 352.523 0.927 20 0 FCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911561474 666366324 /nfs/dbraw/zinc/36/63/24/666366324.db2.gz HAQDSBWKUORQLJ-HOTGVXAUSA-N 2 0 354.495 0.204 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC000938681395 666477296 /nfs/dbraw/zinc/47/72/96/666477296.db2.gz MEGNFTFMFQQRAW-BZUAXINKSA-N 2 0 350.507 0.870 20 0 FCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000940288694 666544530 /nfs/dbraw/zinc/54/45/30/666544530.db2.gz YCMSZZGYVGMIJK-BFYDXBDKSA-N 2 0 350.507 0.776 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000992090213 666618108 /nfs/dbraw/zinc/61/81/08/666618108.db2.gz RFHHOMISARMSIN-RHSMWYFYSA-N 2 0 350.507 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000992162547 666621287 /nfs/dbraw/zinc/62/12/87/666621287.db2.gz OOSPDEDXHJQQLE-SJJHQCBESA-N 2 0 350.507 0.824 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992320177 666633160 /nfs/dbraw/zinc/63/31/60/666633160.db2.gz UNERBHKSCSLFDY-DJIMGWMZSA-N 2 0 350.507 0.917 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCCC3)CC2)CC[N@@H+]1C ZINC000996601481 666942882 /nfs/dbraw/zinc/94/28/82/666942882.db2.gz CMNGIGJSKGNHCY-NVXWUHKLSA-N 2 0 350.507 0.920 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCC[NH+]3CC)C2)CC[N@@H+]1C ZINC000993882309 666945998 /nfs/dbraw/zinc/94/59/98/666945998.db2.gz CXCYLZSAQWFDHD-BBWFWOEESA-N 2 0 350.507 0.918 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC3CCS(=O)(=O)CC3)CC2)CC[N@@H+]1C ZINC000996605161 666946286 /nfs/dbraw/zinc/94/62/86/666946286.db2.gz BJMZPODMMNKWIT-RHSMWYFYSA-N 2 0 371.547 0.732 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994041157 666959753 /nfs/dbraw/zinc/95/97/53/666959753.db2.gz XSBBQQLYOXSAJD-OWCLPIDISA-N 2 0 350.507 0.633 20 0 FCADRP O=C(CCCC[NH+]1CCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000752741301 667527106 /nfs/dbraw/zinc/52/71/06/667527106.db2.gz ZQCUJANHMGFZOP-UHFFFAOYSA-N 2 0 353.507 0.938 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC[N@@H+]1C ZINC001002261096 667527304 /nfs/dbraw/zinc/52/73/04/667527304.db2.gz VKMGRKBBRRZSRS-BBWFWOEESA-N 2 0 352.523 0.878 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC001002259201 667528656 /nfs/dbraw/zinc/52/86/56/667528656.db2.gz ZTGDPHOFYRFFJV-GVDBMIGSSA-N 2 0 350.507 0.776 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595291 667675727 /nfs/dbraw/zinc/67/57/27/667675727.db2.gz RDTLLBAJEZKQSN-UUAJXVIYSA-N 2 0 350.507 0.761 20 0 FCADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033292242 667726936 /nfs/dbraw/zinc/72/69/36/667726936.db2.gz RUCIEJJTCOIQGM-ZACQAIPSSA-N 2 0 355.479 0.045 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)N(C)C)C3)CC2)CC[N@@H+]1C ZINC001035187077 667775485 /nfs/dbraw/zinc/77/54/85/667775485.db2.gz OOPFCBHKFVHSCA-HZPDHXFCSA-N 2 0 350.507 0.729 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000946907471 667840520 /nfs/dbraw/zinc/84/05/20/667840520.db2.gz CJMYMSQVUBAXPQ-BFYDXBDKSA-N 2 0 350.507 0.918 20 0 FCADRP CC[NH+](CC)[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000923582243 667851906 /nfs/dbraw/zinc/85/19/06/667851906.db2.gz KUIXOPCJUMKMRC-QGZVFWFLSA-N 2 0 370.519 0.818 20 0 FCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006187318 667856892 /nfs/dbraw/zinc/85/68/92/667856892.db2.gz OWVRFDMRYCFXKM-IIAWOOMASA-N 2 0 350.507 0.774 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000764500901 667985443 /nfs/dbraw/zinc/98/54/43/667985443.db2.gz ASJHCROHMNHUEL-HZPDHXFCSA-N 2 0 367.563 0.584 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787121191 668788495 /nfs/dbraw/zinc/78/84/95/668788495.db2.gz DULWUNKSMSPNBY-GOEBONIOSA-N 2 0 354.495 0.202 20 0 FCADRP CC[NH+]1CCC(NC(=O)C(F)(F)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000821230210 669169684 /nfs/dbraw/zinc/16/96/84/669169684.db2.gz NIFGQWDPUGKASL-UHFFFAOYSA-N 2 0 360.449 0.823 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN(C)C(=O)OC ZINC000822789392 669294664 /nfs/dbraw/zinc/29/46/64/669294664.db2.gz GLLUSZFERSXUKP-HNNXBMFYSA-N 2 0 357.499 0.742 20 0 FCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000831290680 669839287 /nfs/dbraw/zinc/83/92/87/669839287.db2.gz DQKXIZCXGPTBPZ-JKSUJKDBSA-N 2 0 353.511 0.795 20 0 FCADRP C[NH+]1CCC(NC(=S)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000814206876 669877927 /nfs/dbraw/zinc/87/79/27/669877927.db2.gz JWIVEPWJGDCLOL-UHFFFAOYSA-N 2 0 355.552 0.537 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000834792245 669975263 /nfs/dbraw/zinc/97/52/63/669975263.db2.gz HRUTZJPWEOMCPO-LYGPFTKASA-N 2 0 350.507 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000964939243 675077118 /nfs/dbraw/zinc/07/71/18/675077118.db2.gz CIJIIFJQVPVOHW-BRWVUGGUSA-N 2 0 350.507 0.920 20 0 FCADRP CC1(C)CN=C(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)S1 ZINC000841008312 670531322 /nfs/dbraw/zinc/53/13/22/670531322.db2.gz WUAQLMXTGZKENQ-CQSZACIVSA-N 2 0 353.536 0.683 20 0 FCADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1N ZINC000841104864 670534705 /nfs/dbraw/zinc/53/47/05/670534705.db2.gz VQNLWBURVXFITP-UHFFFAOYSA-N 2 0 351.451 0.168 20 0 FCADRP C[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000841725328 670606902 /nfs/dbraw/zinc/60/69/02/670606902.db2.gz MHUFGOHGZFVEKF-HOTGVXAUSA-N 2 0 353.511 0.890 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCCCC1 ZINC000842014889 670625976 /nfs/dbraw/zinc/62/59/76/670625976.db2.gz GCPPFDWSUAWABL-WBVHZDCISA-N 2 0 350.507 0.968 20 0 FCADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476650 670692944 /nfs/dbraw/zinc/69/29/44/670692944.db2.gz DIKWTJWZAYYBHU-HOTGVXAUSA-N 2 0 352.479 0.940 20 0 FCADRP C[C@@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843353500 670803890 /nfs/dbraw/zinc/80/38/90/670803890.db2.gz KJDGZSDWVSBLCG-OLZOCXBDSA-N 2 0 351.451 0.332 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000967980867 675167834 /nfs/dbraw/zinc/16/78/34/675167834.db2.gz WANPEWQCHMMIOT-HYVNUMGLSA-N 2 0 350.507 0.728 20 0 FCADRP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000846218894 671091191 /nfs/dbraw/zinc/09/11/91/671091191.db2.gz XUWAZWRYVQVSJP-HOTGVXAUSA-N 2 0 362.540 0.477 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000849052373 671316456 /nfs/dbraw/zinc/31/64/56/671316456.db2.gz UZIVAKQEWKQVIY-RRFJBIMHSA-N 2 0 359.540 0.693 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)CC)CC1 ZINC000849081757 671317020 /nfs/dbraw/zinc/31/70/20/671317020.db2.gz CAAOOILBDYZLRH-HNNXBMFYSA-N 2 0 359.540 0.646 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103094 671317943 /nfs/dbraw/zinc/31/79/43/671317943.db2.gz GYXABMRVQKUPKK-MRXNPFEDSA-N 3 0 352.527 0.577 20 0 FCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000853461951 671547856 /nfs/dbraw/zinc/54/78/56/671547856.db2.gz FKFKIPZGVQAPDJ-UHFFFAOYSA-N 2 0 355.527 0.911 20 0 FCADRP CON(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000856013933 671674116 /nfs/dbraw/zinc/67/41/16/671674116.db2.gz BPWZXLVBSDUIGA-HZPDHXFCSA-N 2 0 354.495 0.851 20 0 FCADRP CS(=O)(=O)N1CCN(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925491302 671719224 /nfs/dbraw/zinc/71/92/24/671719224.db2.gz QMFBRPJITGJUGT-QGZVFWFLSA-N 2 0 354.520 0.633 20 0 FCADRP CC(C)CNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510260 675935752 /nfs/dbraw/zinc/93/57/52/675935752.db2.gz FNKQGCFCVYVFMH-IYBDPMFKSA-N 2 0 351.495 0.369 20 0 FCADRP C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000903511404 675936019 /nfs/dbraw/zinc/93/60/19/675936019.db2.gz RSABTAKVGCNRGG-AHCXZYCDSA-N 2 0 350.507 0.523 20 0 FCADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000903521744 675938095 /nfs/dbraw/zinc/93/80/95/675938095.db2.gz GCKBDKXXHGXZHB-DZASIIFFSA-N 2 0 350.507 0.727 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000903566905 675946182 /nfs/dbraw/zinc/94/61/82/675946182.db2.gz LWYMKUKUUKEONZ-OAHLLOKOSA-N 2 0 357.524 0.872 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000861751080 671990907 /nfs/dbraw/zinc/99/09/07/671990907.db2.gz YSZQUVBACOKMCA-ZDUSSCGKSA-N 2 0 350.438 0.712 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000861764882 671992905 /nfs/dbraw/zinc/99/29/05/671992905.db2.gz DMMPGHCYLKOMGK-CQSZACIVSA-N 2 0 350.463 0.091 20 0 FCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000861766684 671993234 /nfs/dbraw/zinc/99/32/34/671993234.db2.gz IQGRKGLOIRQFCB-PCKAHOCUSA-N 2 0 352.479 0.004 20 0 FCADRP CC[NH+](CC)CC(=O)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736239 675965272 /nfs/dbraw/zinc/96/52/72/675965272.db2.gz ITCJNRRIBSRVJW-KRWDZBQOSA-N 2 0 352.523 0.631 20 0 FCADRP O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000863551517 672136860 /nfs/dbraw/zinc/13/68/60/672136860.db2.gz GMVPSFZNRQZYSI-CYBMUJFWSA-N 2 0 355.451 0.297 20 0 FCADRP O=C1[C@@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574469 672139829 /nfs/dbraw/zinc/13/98/29/672139829.db2.gz JICZJEIGWFGYQY-MSOLQXFVSA-N 2 0 351.491 0.857 20 0 FCADRP O=C1[C@@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574471 672139935 /nfs/dbraw/zinc/13/99/35/672139935.db2.gz JICZJEIGWFGYQY-ROUUACIJSA-N 2 0 351.491 0.857 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000863769131 672152601 /nfs/dbraw/zinc/15/26/01/672152601.db2.gz SPEXJEXPRYUHDC-NSHDSACASA-N 2 0 352.401 0.667 20 0 FCADRP [NH3+][C@@H]1CCN(c2cccc(CNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000864324688 672189949 /nfs/dbraw/zinc/18/99/49/672189949.db2.gz XLEDNZLXLUGRHD-ABAIWWIYSA-N 2 0 357.380 0.777 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865449655 672243097 /nfs/dbraw/zinc/24/30/97/672243097.db2.gz YPXBVFPUGIVBGE-AEFFLSMTSA-N 2 0 350.511 0.820 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)NC)C3)C2)CC[N@@H+]1C ZINC001054133402 676000931 /nfs/dbraw/zinc/00/09/31/676000931.db2.gz BYZRHZSWALFOMN-FRQCXROJSA-N 2 0 350.507 0.777 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2F)CC1 ZINC000868253837 672390947 /nfs/dbraw/zinc/39/09/47/672390947.db2.gz RRPNGIHKRDYEEQ-UHFFFAOYSA-N 2 0 351.426 0.323 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC000868285355 672392218 /nfs/dbraw/zinc/39/22/18/672392218.db2.gz IAFVUQOZTJSEAC-MRXNPFEDSA-N 2 0 353.511 0.129 20 0 FCADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868353481 672395319 /nfs/dbraw/zinc/39/53/19/672395319.db2.gz CNDVMFLHBFNCPF-UHFFFAOYSA-N 2 0 355.527 0.376 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)COC)CC2)CC[N@@H+]1C ZINC001055496059 676021589 /nfs/dbraw/zinc/02/15/89/676021589.db2.gz BDEADIHJXOVWIN-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055534349 676022837 /nfs/dbraw/zinc/02/28/37/676022837.db2.gz GTUDWUYWEIDWPB-IJEWVQPXSA-N 2 0 354.495 0.058 20 0 FCADRP C[C@@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)N1CC[NH+](C)CC1 ZINC000870889502 672516851 /nfs/dbraw/zinc/51/68/51/672516851.db2.gz KALCYHFSMQRYGU-ZDUSSCGKSA-N 2 0 351.520 0.976 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001056426728 676045534 /nfs/dbraw/zinc/04/55/34/676045534.db2.gz LGVIZALQEWQPKP-NCOADZHNSA-N 2 0 350.507 0.870 20 0 FCADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000873311237 672713971 /nfs/dbraw/zinc/71/39/71/672713971.db2.gz PQDHZLRMZLQQLY-OAHLLOKOSA-N 2 0 350.467 0.725 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000875132987 672836461 /nfs/dbraw/zinc/83/64/61/672836461.db2.gz GMANHQKXILNQHO-MRXNPFEDSA-N 2 0 350.507 0.966 20 0 FCADRP CC[C@H]1COCCN1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000875429360 672881626 /nfs/dbraw/zinc/88/16/26/672881626.db2.gz JZRHQIUIIPGSMA-INIZCTEOSA-N 2 0 355.527 0.422 20 0 FCADRP O=S(=O)(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000923648240 672958430 /nfs/dbraw/zinc/95/84/30/672958430.db2.gz ZAZYEZROQRLICI-ZBFHGGJFSA-N 2 0 356.467 0.258 20 0 FCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402682 673013027 /nfs/dbraw/zinc/01/30/27/673013027.db2.gz HWJONLHLLJAFRR-JKSUJKDBSA-N 2 0 350.507 0.825 20 0 FCADRP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622971 676106737 /nfs/dbraw/zinc/10/67/37/676106737.db2.gz AYERDMCUHKLJHH-FVQBIDKESA-N 2 0 350.463 0.949 20 0 FCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000883471645 673377852 /nfs/dbraw/zinc/37/78/52/673377852.db2.gz UCJBACJHTNJUBN-UHFFFAOYSA-N 2 0 371.429 0.573 20 0 FCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000883659462 673389903 /nfs/dbraw/zinc/38/99/03/673389903.db2.gz JDVPVMAUBFTDHX-INIZCTEOSA-N 2 0 350.507 0.921 20 0 FCADRP [NH3+][C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884289692 673444412 /nfs/dbraw/zinc/44/44/12/673444412.db2.gz HOYCBLSALLWKSQ-LSDHHAIUSA-N 2 0 367.291 0.955 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000884406587 673451731 /nfs/dbraw/zinc/45/17/31/673451731.db2.gz YQBHLCCZBLFDOK-UHFFFAOYSA-N 2 0 350.463 0.377 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000884488308 673456650 /nfs/dbraw/zinc/45/66/50/673456650.db2.gz SFQTYWPMVSNZGZ-STQMWFEESA-N 2 0 362.465 0.830 20 0 FCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000884576223 673463299 /nfs/dbraw/zinc/46/32/99/673463299.db2.gz CAJSTUQBWMRDPU-UHFFFAOYSA-N 2 0 365.503 0.335 20 0 FCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1=CC[N@H+](C)CC1 ZINC000884623512 673466911 /nfs/dbraw/zinc/46/69/11/673466911.db2.gz FWMPUSVELCETGH-UHTWSYAYSA-N 2 0 362.396 0.349 20 0 FCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000884623798 673466948 /nfs/dbraw/zinc/46/69/48/673466948.db2.gz OWVSJAUHLUHSBV-KUHUBIRLSA-N 2 0 350.507 0.977 20 0 FCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884658844 673470443 /nfs/dbraw/zinc/47/04/43/673470443.db2.gz AGXJBLYIGZLTNQ-NWDGAFQWSA-N 2 0 352.401 0.430 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000884680358 673471886 /nfs/dbraw/zinc/47/18/86/673471886.db2.gz NTKRVTREYRPVNP-MRXNPFEDSA-N 2 0 350.507 0.969 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000884705747 673474993 /nfs/dbraw/zinc/47/49/93/673474993.db2.gz GTAXFKAXCBMGBT-KGLIPLIRSA-N 2 0 354.495 0.548 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000884716697 673475935 /nfs/dbraw/zinc/47/59/35/673475935.db2.gz GSHWCMDHSFVYLN-HZPDHXFCSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000884716881 673476001 /nfs/dbraw/zinc/47/60/01/673476001.db2.gz LNLVJGNMMFINIO-CVEARBPZSA-N 2 0 350.507 0.968 20 0 FCADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884724503 673477579 /nfs/dbraw/zinc/47/75/79/673477579.db2.gz VRGUMECKAKQSCJ-MRXNPFEDSA-N 2 0 354.495 0.108 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000884787720 673482367 /nfs/dbraw/zinc/48/23/67/673482367.db2.gz ZWVNPODGPBQYRC-HOCLYGCPSA-N 2 0 352.479 0.086 20 0 FCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)C2)CC1 ZINC000884922364 673491402 /nfs/dbraw/zinc/49/14/02/673491402.db2.gz UEVRVYITFNNOOQ-DJIMGWMZSA-N 2 0 350.507 0.810 20 0 FCADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971615 673494658 /nfs/dbraw/zinc/49/46/58/673494658.db2.gz DVEUQMOFXLPQLT-OAHLLOKOSA-N 2 0 356.511 0.355 20 0 FCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000884973949 673495021 /nfs/dbraw/zinc/49/50/21/673495021.db2.gz JMTUYYDIAYZGMR-HOTGVXAUSA-N 2 0 350.507 0.968 20 0 FCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885004840 673497011 /nfs/dbraw/zinc/49/70/11/673497011.db2.gz NNZUNMUVMPBILK-MUJYYYPQSA-N 2 0 350.507 0.966 20 0 FCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887083250 673621037 /nfs/dbraw/zinc/62/10/37/673621037.db2.gz VFPNSNNILPHBSW-LJQANCHMSA-N 2 0 350.507 0.923 20 0 FCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000887640432 673636626 /nfs/dbraw/zinc/63/66/26/673636626.db2.gz ZRYSAKPPADLMQN-MRXNPFEDSA-N 2 0 353.511 0.870 20 0 FCADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCC23OCCO3)C[C@H]1C[NH+](C)C ZINC000889534591 673679636 /nfs/dbraw/zinc/67/96/36/673679636.db2.gz GCPIKHCWKVVFNJ-OAGGEKHMSA-N 2 0 354.495 0.663 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924949179 673770412 /nfs/dbraw/zinc/77/04/12/673770412.db2.gz FZUHMTVRCJRBAU-IRXDYDNUSA-N 2 0 374.595 0.910 20 0 FCADRP O=S(=O)(N1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1)C(F)(F)F ZINC000925548987 673793812 /nfs/dbraw/zinc/79/38/12/673793812.db2.gz JVIQPNXFDOJZSU-MNSQCTGESA-N 2 0 353.410 0.886 20 0 FCADRP O=S(=O)(Cc1ccccc1)N1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925569035 673793941 /nfs/dbraw/zinc/79/39/41/673793941.db2.gz NWDZFPHUBJEMDD-QGZVFWFLSA-N 2 0 353.488 0.559 20 0 FCADRP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)n1 ZINC000926044986 673809820 /nfs/dbraw/zinc/80/98/20/673809820.db2.gz GNDZOBCZABCFHT-CQSZACIVSA-N 2 0 350.467 0.725 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000926166212 673814476 /nfs/dbraw/zinc/81/44/76/673814476.db2.gz VAULERSZFAFKDS-RXYDEIHYSA-N 2 0 353.507 0.551 20 0 FCADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633465 673871302 /nfs/dbraw/zinc/87/13/02/673871302.db2.gz BVLJUQMZQLMUJW-HYVNUMGLSA-N 2 0 354.495 0.336 20 0 FCADRP C[NH+]1CC[C@H]1CNC(=O)CCC1(CCC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928552511 673919361 /nfs/dbraw/zinc/91/93/61/673919361.db2.gz VGPOMVOMXHLRBK-IYBDPMFKSA-N 2 0 350.507 0.968 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020171285 675436004 /nfs/dbraw/zinc/43/60/04/675436004.db2.gz VKHRDKQJIZLEMQ-OXGONZEZSA-N 2 0 357.520 0.388 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020174785 675436457 /nfs/dbraw/zinc/43/64/57/675436457.db2.gz QQPMAYWYARUGGU-QUSNUVHPSA-N 2 0 371.547 0.778 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)CC[N@@H+]1C ZINC001020372709 675442103 /nfs/dbraw/zinc/44/21/03/675442103.db2.gz FXFOFHTVZYFHBX-WTTBNOFXSA-N 2 0 350.507 0.774 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900732574 675711357 /nfs/dbraw/zinc/71/13/57/675711357.db2.gz MPAQBKUHOMLNAH-FGTMMUONSA-N 2 0 350.507 0.526 20 0 FCADRP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047383873 675795479 /nfs/dbraw/zinc/79/54/79/675795479.db2.gz KPTUYMRXTSRCPC-OWSLCNJRSA-N 2 0 353.507 0.647 20 0 FCADRP CC(C)C[C@H]1C[N@H+](C)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902543035 675858809 /nfs/dbraw/zinc/85/88/09/675858809.db2.gz OSBQGTFLXGSRCN-HNNXBMFYSA-N 2 0 351.495 0.622 20 0 FCADRP COc1coc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC000969699527 1168062618 /nfs/dbraw/zinc/06/26/18/1168062618.db2.gz KTFHDMDUQOIJOG-XJKCOSOUSA-N 2 0 363.458 0.925 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH2+]CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001167095760 1168203301 /nfs/dbraw/zinc/20/33/01/1168203301.db2.gz JGVNRGQAGAIMMM-MSOLQXFVSA-N 2 0 356.474 0.719 20 0 FCADRP C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(CC(=O)N2CCCCC2)C1 ZINC000969958189 1168234501 /nfs/dbraw/zinc/23/45/01/1168234501.db2.gz JNBUSRJXKGDEJL-BFYDXBDKSA-N 2 0 366.506 0.155 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970043313 1168303694 /nfs/dbraw/zinc/30/36/94/1168303694.db2.gz XSXBGVZQZVUTGP-QRQLOZEOSA-N 2 0 368.485 0.851 20 0 FCADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112481471 1168509973 /nfs/dbraw/zinc/50/99/73/1168509973.db2.gz NMRWKPVECNNHIH-JOQVEUFWSA-N 2 0 363.502 0.450 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000970635923 1169220247 /nfs/dbraw/zinc/22/02/47/1169220247.db2.gz KCOGISATXPHXGR-XYPHTWIQSA-N 2 0 371.441 0.120 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000970635171 1169233161 /nfs/dbraw/zinc/23/31/61/1169233161.db2.gz CGJRKRXSEUBFOE-BBWFWOEESA-N 2 0 366.506 0.035 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104289279 1169431990 /nfs/dbraw/zinc/43/19/90/1169431990.db2.gz IVYJDRKZDNHURA-BFYDXBDKSA-N 2 0 366.506 0.189 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104291776 1169658206 /nfs/dbraw/zinc/65/82/06/1169658206.db2.gz VEESFZPEYLYJBV-XNRPHZJLSA-N 2 0 364.494 0.023 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751817 1169980792 /nfs/dbraw/zinc/98/07/92/1169980792.db2.gz MIJPOCRJOMWZQN-OKZBNKHCSA-N 2 0 360.502 0.483 20 0 FCADRP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001279477115 1170046221 /nfs/dbraw/zinc/04/62/21/1170046221.db2.gz HPSCDMHNOZYAHA-FQEVSTJZSA-N 2 0 366.550 0.973 20 0 FCADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC[NH2+]CCOCCO ZINC001104345741 1170128830 /nfs/dbraw/zinc/12/88/30/1170128830.db2.gz RAKHVJZHRXGEAX-QZTJIDSGSA-N 2 0 367.534 0.946 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104354264 1170346035 /nfs/dbraw/zinc/34/60/35/1170346035.db2.gz YDWCTYPNAFUZCS-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211512 1170754206 /nfs/dbraw/zinc/75/42/06/1170754206.db2.gz SCQXFXJXDZLLAO-SOLBZPMBSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CCC1 ZINC001022217617 1170766249 /nfs/dbraw/zinc/76/62/49/1170766249.db2.gz RVVJRGPHASLIBI-DOTOQJQBSA-N 2 0 360.502 0.626 20 0 FCADRP O=C(NCc1ccn2ccnc2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891682618 1170812459 /nfs/dbraw/zinc/81/24/59/1170812459.db2.gz YJSMKMDCBYHKSM-KFWWJZLASA-N 2 0 370.413 0.411 20 0 FCADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1 ZINC000891747935 1170843324 /nfs/dbraw/zinc/84/33/24/1170843324.db2.gz AENSVFKWSYJTDT-DKIMLUQUSA-N 2 0 371.485 0.622 20 0 FCADRP C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@H+](C)CC1 ZINC000891766108 1170850782 /nfs/dbraw/zinc/85/07/82/1170850782.db2.gz RJJRAAOINCOZIE-MIGQKNRLSA-N 2 0 363.462 0.213 20 0 FCADRP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001691763511 1170972250 /nfs/dbraw/zinc/97/22/50/1170972250.db2.gz UTSFHGCMDUHOJC-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691268477 1171002112 /nfs/dbraw/zinc/00/21/12/1171002112.db2.gz QFOFAZOCSVTXID-LSDHHAIUSA-N 2 0 367.494 0.193 20 0 FCADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691268532 1171002332 /nfs/dbraw/zinc/00/23/32/1171002332.db2.gz SLWNHYMDCBOIPJ-DLBZAZTESA-N 2 0 350.507 0.825 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001691384597 1171251501 /nfs/dbraw/zinc/25/15/01/1171251501.db2.gz YCBOIFZGTFNDEC-ILXRZTDVSA-N 2 0 369.510 0.387 20 0 FCADRP C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CCC[NH2+]Cc1nnnn1C ZINC001691410432 1171283700 /nfs/dbraw/zinc/28/37/00/1171283700.db2.gz VROYDXAVUMBECQ-UKRRQHHQSA-N 2 0 360.466 0.673 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970228 1171355995 /nfs/dbraw/zinc/35/59/95/1171355995.db2.gz JEBMJWFCEGNBIZ-WMZOPIPTSA-N 2 0 373.501 0.486 20 0 FCADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000891971083 1171361928 /nfs/dbraw/zinc/36/19/28/1171361928.db2.gz QSEOSXCBHPPBHQ-NVXWUHKLSA-N 2 0 365.522 0.747 20 0 FCADRP C[C@]1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060897 1171540929 /nfs/dbraw/zinc/54/09/29/1171540929.db2.gz VNMHOLXDLLZAMS-MJGOQNOKSA-N 2 0 367.538 0.472 20 0 FCADRP CC[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1)OC ZINC001083236008 1171544890 /nfs/dbraw/zinc/54/48/90/1171544890.db2.gz HBRIHIKDIDVEBR-BPQIPLTHSA-N 2 0 369.506 0.434 20 0 FCADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892226831 1171775072 /nfs/dbraw/zinc/77/50/72/1171775072.db2.gz MQLFAUCQTRGQKV-ZACQAIPSSA-N 2 0 373.457 0.483 20 0 FCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000892262625 1171844888 /nfs/dbraw/zinc/84/48/88/1171844888.db2.gz DPMAXYBYLVBDSK-DOTOQJQBSA-N 2 0 365.522 0.713 20 0 FCADRP Cn1cncc1CC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC001083248558 1172008272 /nfs/dbraw/zinc/00/82/72/1172008272.db2.gz MUHCBBSFWYEVJP-FGTMMUONSA-N 2 0 362.474 0.833 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001059976908 1192837638 /nfs/dbraw/zinc/83/76/38/1192837638.db2.gz VUGLETFHIZNPRF-BRWVUGGUSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000898069729 1192856613 /nfs/dbraw/zinc/85/66/13/1192856613.db2.gz VDRGOOSMXSYEFA-IAGOWNOFSA-N 2 0 373.501 0.967 20 0 FCADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001691554534 1192874384 /nfs/dbraw/zinc/87/43/84/1192874384.db2.gz LUFSVASBMHFTJL-OWCLPIDISA-N 2 0 356.486 0.583 20 0 FCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000427030278 1178880267 /nfs/dbraw/zinc/88/02/67/1178880267.db2.gz YHCFESDPPBGHMZ-CQSZACIVSA-N 2 0 364.494 0.357 20 0 FCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000892456604 1181067599 /nfs/dbraw/zinc/06/75/99/1181067599.db2.gz RYPNQZZVELFANN-DGSCNEQVSA-N 2 0 363.462 0.319 20 0 FCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000892484350 1181316639 /nfs/dbraw/zinc/31/66/39/1181316639.db2.gz CBJMJLVNFZCPHY-OAHLLOKOSA-N 2 0 366.510 0.117 20 0 FCADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570320900 1181459389 /nfs/dbraw/zinc/45/93/89/1181459389.db2.gz KJWLAEXJNXHPBG-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CCc2cncn2C)CC[N@@H+]1C ZINC001067535721 1181751046 /nfs/dbraw/zinc/75/10/46/1181751046.db2.gz DEIDPZNMWJAMLJ-NVXWUHKLSA-N 2 0 363.506 1.000 20 0 FCADRP Cc1nccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083275506 1181849727 /nfs/dbraw/zinc/84/97/27/1181849727.db2.gz HRDVAXRBRBXPTP-OKZBNKHCSA-N 2 0 362.474 0.920 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972992955 1181860590 /nfs/dbraw/zinc/86/05/90/1181860590.db2.gz SHTQGYZPUBAFMV-CGTJXYLNSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NCC[NH+](C)C ZINC000892595237 1181909452 /nfs/dbraw/zinc/90/94/52/1181909452.db2.gz DKRBPJPRIWSLAO-YVSFHVDLSA-N 2 0 367.538 0.909 20 0 FCADRP COCCCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111984071 1182029546 /nfs/dbraw/zinc/02/95/46/1182029546.db2.gz YSRLZKSCRNTETD-BXWFABGCSA-N 2 0 366.506 0.062 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC000973330647 1182240283 /nfs/dbraw/zinc/24/02/83/1182240283.db2.gz SOXOBMJGXKIVDB-QBPKDAKJSA-N 2 0 362.518 0.966 20 0 FCADRP CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104580841 1182246235 /nfs/dbraw/zinc/24/62/35/1182246235.db2.gz JKPATCVBXVUFDR-ZACQAIPSSA-N 2 0 368.522 0.258 20 0 FCADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892685592 1182276868 /nfs/dbraw/zinc/27/68/68/1182276868.db2.gz ALTUVSSKWARCSB-ROUUACIJSA-N 2 0 368.522 0.728 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nnnn1C(C)(C)C ZINC001104622471 1182296909 /nfs/dbraw/zinc/29/69/09/1182296909.db2.gz YUVOBEDWLGLOBM-HUUCEWRRSA-N 2 0 365.526 0.954 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001104625398 1182302170 /nfs/dbraw/zinc/30/21/70/1182302170.db2.gz KQVLHBSJHMCLTF-BRWVUGGUSA-N 2 0 368.522 0.260 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001104680735 1182361754 /nfs/dbraw/zinc/36/17/54/1182361754.db2.gz WLURBELYMAFMSC-LZLYRXPVSA-N 2 0 364.534 0.929 20 0 FCADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211649244 1182432182 /nfs/dbraw/zinc/43/21/82/1182432182.db2.gz YEKOAMFJJMNLDT-FCGDIQPGSA-N 2 0 361.486 0.672 20 0 FCADRP CCC1([NH3+])CCN(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000892934113 1182596506 /nfs/dbraw/zinc/59/65/06/1182596506.db2.gz AHKTVBPZHCSGKA-CABCVRRESA-N 2 0 365.478 0.567 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789671 1182839258 /nfs/dbraw/zinc/83/92/58/1182839258.db2.gz VNZSYYJYSNFNFX-IGERKEGBSA-N 2 0 365.518 0.815 20 0 FCADRP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792939 1182844442 /nfs/dbraw/zinc/84/44/42/1182844442.db2.gz PBFAPWUTPGAMKF-MHMDBQTNSA-N 2 0 362.518 0.820 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104874219 1182969126 /nfs/dbraw/zinc/96/91/26/1182969126.db2.gz PMOURKNZPLCFKY-KURKYZTESA-N 2 0 365.522 0.660 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104872762 1182969561 /nfs/dbraw/zinc/96/95/61/1182969561.db2.gz ZAGDYKMBZRKMLJ-IAGOWNOFSA-N 2 0 370.538 0.555 20 0 FCADRP CCCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908243 1182990944 /nfs/dbraw/zinc/99/09/44/1182990944.db2.gz ONOPKZGSIPMZKD-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916936 1182991802 /nfs/dbraw/zinc/99/18/02/1182991802.db2.gz LMEMPEWHYWCDIK-BZUAXINKSA-N 2 0 364.490 0.843 20 0 FCADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1nnnn1C ZINC001104914081 1182993550 /nfs/dbraw/zinc/99/35/50/1182993550.db2.gz UKEUYINLDXIVFN-QLFBSQMISA-N 2 0 361.494 0.441 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104932789 1183007055 /nfs/dbraw/zinc/00/70/55/1183007055.db2.gz ODRRQIDVSVXPJH-HUUCEWRRSA-N 2 0 366.510 0.415 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104938133 1183011756 /nfs/dbraw/zinc/01/17/56/1183011756.db2.gz PZZNKAQABWWUCO-SJLPKXTDSA-N 2 0 370.538 0.555 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CN(CC)CCO3)C2)CC[N@@H+]1C ZINC000974190832 1183042334 /nfs/dbraw/zinc/04/23/34/1183042334.db2.gz JTKPAWIXVFVYTI-NNXHMXCWSA-N 2 0 366.506 0.201 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974224660 1183059727 /nfs/dbraw/zinc/05/97/27/1183059727.db2.gz AHXNHNPKGSZNJF-UHDSXZAQSA-N 2 0 366.506 0.343 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001105014505 1183069242 /nfs/dbraw/zinc/06/92/42/1183069242.db2.gz STMHCFKQRGOUJW-ZACQAIPSSA-N 2 0 360.506 0.935 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066906 1183100452 /nfs/dbraw/zinc/10/04/52/1183100452.db2.gz GBRVVMDLTKXYLA-QLFBSQMISA-N 2 0 369.510 0.245 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCOC)nn3)C2)CC[N@@H+]1C ZINC001105244025 1183151270 /nfs/dbraw/zinc/15/12/70/1183151270.db2.gz OBJSXXFTWXXGIB-DLBZAZTESA-N 2 0 364.494 0.518 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)CCn4ccnc4)C[C@H]32)C1 ZINC000974574998 1183343345 /nfs/dbraw/zinc/34/33/45/1183343345.db2.gz APDOTACUWZCFPQ-GVDBMIGSSA-N 2 0 359.474 0.674 20 0 FCADRP CC(C)n1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001026916371 1183490521 /nfs/dbraw/zinc/49/05/21/1183490521.db2.gz GOVRLKZIRGZOIO-OWCLPIDISA-N 2 0 364.494 0.516 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)CC[N@@H+]1C ZINC000975737534 1185666266 /nfs/dbraw/zinc/66/62/66/1185666266.db2.gz WQYBKHYXGTUKIT-XDNAFOTISA-N 2 0 374.529 0.872 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001211666506 1185926677 /nfs/dbraw/zinc/92/66/77/1185926677.db2.gz DRGCVUNPFBHZFH-ZWKOTPCHSA-N 2 0 358.486 0.755 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000978845366 1186013392 /nfs/dbraw/zinc/01/33/92/1186013392.db2.gz HQSDSZNWCHNOPK-YGTYDBBMSA-N 2 0 362.518 0.679 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC000979045744 1186047543 /nfs/dbraw/zinc/04/75/43/1186047543.db2.gz KBUYHONMNOCFLV-VVLHAWIVSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCN2CCCC2=O)O1 ZINC001027966412 1186241670 /nfs/dbraw/zinc/24/16/70/1186241670.db2.gz PKQSMSXXELXUTK-BRWVUGGUSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966591 1186242279 /nfs/dbraw/zinc/24/22/79/1186242279.db2.gz RMXOBMYJWKXEIU-DJIMGWMZSA-N 2 0 362.474 0.185 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784975 1186520909 /nfs/dbraw/zinc/52/09/09/1186520909.db2.gz YVRNDMCGUYRHCZ-YESZJQIVSA-N 2 0 362.518 0.825 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306589 1186728979 /nfs/dbraw/zinc/72/89/79/1186728979.db2.gz URKPDTQHMTYWSU-MXQZZYIMSA-N 2 0 366.506 0.140 20 0 FCADRP CN1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+](C)CC1 ZINC000888994247 1187462275 /nfs/dbraw/zinc/46/22/75/1187462275.db2.gz ZZHFZVANVUJNFH-LJQANCHMSA-N 2 0 359.518 0.999 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211722276 1187470200 /nfs/dbraw/zinc/47/02/00/1187470200.db2.gz DBAVZZFZPZEUHD-BPQIPLTHSA-N 2 0 358.486 0.801 20 0 FCADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000894109373 1187552581 /nfs/dbraw/zinc/55/25/81/1187552581.db2.gz OQYLZDSOLBYTQZ-OTWHNJEPSA-N 2 0 358.486 0.956 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000549939907 1187751944 /nfs/dbraw/zinc/75/19/44/1187751944.db2.gz FEOUJLYMGDLDIM-QGZVFWFLSA-N 2 0 367.538 0.071 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423242676 1187851406 /nfs/dbraw/zinc/85/14/06/1187851406.db2.gz FNZZBQGPEZZLIO-SJORKVTESA-N 2 0 368.522 0.389 20 0 FCADRP CN(CC(=O)N1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1)C(N)=[NH2+] ZINC001269992738 1187962556 /nfs/dbraw/zinc/96/25/56/1187962556.db2.gz WYSDRJXIYVKQGF-UHFFFAOYSA-N 2 0 360.462 0.427 20 0 FCADRP C[NH+](C)CCC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270061764 1187985602 /nfs/dbraw/zinc/98/56/02/1187985602.db2.gz ROHLPFUERVNLLD-MRXNPFEDSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+]1CCC(NC(=O)[C@H]2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)O2)CC1 ZINC001270095011 1188007068 /nfs/dbraw/zinc/00/70/68/1188007068.db2.gz GLBLUTPIPCZHCM-MRXNPFEDSA-N 2 0 364.490 0.053 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)C2CC[NH+](C)CC2)C3)CC1 ZINC001270101716 1188009948 /nfs/dbraw/zinc/00/99/48/1188009948.db2.gz HBIYKPSMMSXBDX-KRWDZBQOSA-N 2 0 362.518 0.729 20 0 FCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@@H]1CCC[NH+](C)C1)C2 ZINC000894788559 1188250790 /nfs/dbraw/zinc/25/07/90/1188250790.db2.gz SNWXZNYBPQWPJS-NPYXIHBLSA-N 2 0 365.522 0.806 20 0 FCADRP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101487 1188270291 /nfs/dbraw/zinc/27/02/91/1188270291.db2.gz HAJKPDTVPVOBIN-GZBFAFLISA-N 2 0 364.494 0.165 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000550311583 1188318602 /nfs/dbraw/zinc/31/86/02/1188318602.db2.gz MAHUAKPVLYOUTA-DLBZAZTESA-N 2 0 368.522 0.329 20 0 FCADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000550311586 1188318705 /nfs/dbraw/zinc/31/87/05/1188318705.db2.gz MAHUAKPVLYOUTA-SJORKVTESA-N 2 0 368.522 0.329 20 0 FCADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000550384050 1188344106 /nfs/dbraw/zinc/34/41/06/1188344106.db2.gz YEKSZCGGIXXIJY-KRWDZBQOSA-N 2 0 369.554 0.221 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550458518 1189504961 /nfs/dbraw/zinc/50/49/61/1189504961.db2.gz ZDFDIAFVCJANNB-IRXDYDNUSA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075813774 1189605111 /nfs/dbraw/zinc/60/51/11/1189605111.db2.gz YWFRSFACBKYCJT-WNRNVDISSA-N 2 0 362.518 0.872 20 0 FCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895560849 1189865275 /nfs/dbraw/zinc/86/52/75/1189865275.db2.gz JWMYRPIBYRRSCD-AWEZNQCLSA-N 2 0 357.462 0.885 20 0 FCADRP CO[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969574 1190026515 /nfs/dbraw/zinc/02/65/15/1190026515.db2.gz CRWBGFLITZWNEW-BBWFWOEESA-N 2 0 363.506 0.874 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)CC[C@@H]3C2)CCC1 ZINC001087992910 1190144020 /nfs/dbraw/zinc/14/40/20/1190144020.db2.gz RKZYDYZLDWFMHX-QLFBSQMISA-N 2 0 362.474 0.056 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)CC[C@@H]3C2)CCC1 ZINC001087992909 1190144064 /nfs/dbraw/zinc/14/40/64/1190144064.db2.gz RKZYDYZLDWFMHX-ILXRZTDVSA-N 2 0 362.474 0.056 20 0 FCADRP Cc1c(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088021370 1190241195 /nfs/dbraw/zinc/24/11/95/1190241195.db2.gz IHJJMVOEFPUCRI-RVKKMQEKSA-N 2 0 367.453 0.925 20 0 FCADRP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064144 1190340184 /nfs/dbraw/zinc/34/01/84/1190340184.db2.gz OGKOKERFWBEODK-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107326 1190594960 /nfs/dbraw/zinc/59/49/60/1190594960.db2.gz RLJAHAYUSYSASP-IKGGRYGDSA-N 2 0 362.518 0.729 20 0 FCADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088107291 1190595915 /nfs/dbraw/zinc/59/59/15/1190595915.db2.gz QHAWOEHGHRTOHF-SJORKVTESA-N 2 0 360.506 0.790 20 0 FCADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)CCC1 ZINC000985825645 1190824849 /nfs/dbraw/zinc/82/48/49/1190824849.db2.gz CSEWQJFQHXBNQO-IKGGRYGDSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000985825530 1190825018 /nfs/dbraw/zinc/82/50/18/1190825018.db2.gz AMVDNUOBZVFTQE-FGTMMUONSA-N 2 0 362.518 0.729 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986130789 1190901336 /nfs/dbraw/zinc/90/13/36/1190901336.db2.gz MIYCWJOEPPRLCP-KURKYZTESA-N 2 0 362.518 0.731 20 0 FCADRP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)[NH+](C)C ZINC000986462107 1191005266 /nfs/dbraw/zinc/00/52/66/1191005266.db2.gz RQPHXJVCALXZQZ-ZIFCJYIRSA-N 2 0 364.534 0.975 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001059730234 1191049702 /nfs/dbraw/zinc/04/97/02/1191049702.db2.gz BPTBMZSZVUYFON-IXDOHACOSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001059730626 1191051184 /nfs/dbraw/zinc/05/11/84/1191051184.db2.gz LMUHOJGEXLPBRD-IXDOHACOSA-N 2 0 368.522 0.260 20 0 FCADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886575 1191117903 /nfs/dbraw/zinc/11/79/03/1191117903.db2.gz ZUJNFMQMVIGHMD-BHYGNILZSA-N 2 0 358.490 0.782 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988101678 1191148431 /nfs/dbraw/zinc/14/84/31/1191148431.db2.gz HQWPXAIBDKQHNR-WBVHZDCISA-N 2 0 366.506 0.299 20 0 FCADRP Cc1nccn1CC(=O)N[C@H]1CCN(C(=O)CCc2cncn2C)[C@@H]1C ZINC000988114064 1191151158 /nfs/dbraw/zinc/15/11/58/1191151158.db2.gz QZCXUNCJRLRCLL-CJNGLKHVSA-N 2 0 358.446 0.663 20 0 FCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088563554 1191197750 /nfs/dbraw/zinc/19/77/50/1191197750.db2.gz VKNCJGIKQICDHL-PMPSAXMXSA-N 2 0 364.490 0.587 20 0 FCADRP COC(=O)[C@H](Cc1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001218387671 1224157626 /nfs/dbraw/zinc/15/76/26/1224157626.db2.gz QATLOMYLIAHOGV-ZCPGHIKRSA-N 2 0 363.458 0.609 20 0 FCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000550641896 1193719614 /nfs/dbraw/zinc/71/96/14/1193719614.db2.gz DZYPYKMKLGKJKK-INIZCTEOSA-N 2 0 373.501 0.715 20 0 FCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000550659725 1193727063 /nfs/dbraw/zinc/72/70/63/1193727063.db2.gz CRAVGRUGXFHKBF-INIZCTEOSA-N 2 0 368.522 0.404 20 0 FCADRP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168311977 1193740076 /nfs/dbraw/zinc/74/00/76/1193740076.db2.gz GPJJVZQYODXKOG-MFTHNPBUSA-N 2 0 370.494 0.020 20 0 FCADRP C[NH+](C)CCN1CC[C@]2(CCCN2Cc2ccc3c(n2)OCCO3)C1=O ZINC001276788441 1224165169 /nfs/dbraw/zinc/16/51/69/1224165169.db2.gz LUDOXIJOJDJFPM-LJQANCHMSA-N 2 0 360.458 0.981 20 0 FCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C1 ZINC000550761348 1193761864 /nfs/dbraw/zinc/76/18/64/1193761864.db2.gz BULAOKFXRMLHTP-QGZVFWFLSA-N 2 0 369.469 0.753 20 0 FCADRP CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001691612762 1193801099 /nfs/dbraw/zinc/80/10/99/1193801099.db2.gz PESQPCRJFMHITI-LSDHHAIUSA-N 2 0 359.536 0.780 20 0 FCADRP O=C(N[C@@H]1CN(CCOc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466487 1193819786 /nfs/dbraw/zinc/81/97/86/1193819786.db2.gz WQVUVEYAJFIRIH-QRVBRYPASA-N 2 0 359.470 0.569 20 0 FCADRP Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000551112056 1193833286 /nfs/dbraw/zinc/83/32/86/1193833286.db2.gz QLCPTMFFBRUKHN-KRWDZBQOSA-N 2 0 373.501 0.887 20 0 FCADRP C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000551111857 1193833457 /nfs/dbraw/zinc/83/34/57/1193833457.db2.gz PGWGJWYTNDCNGI-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551122012 1193834948 /nfs/dbraw/zinc/83/49/48/1193834948.db2.gz MGJXDUJFJYCHMO-YESZJQIVSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000551151918 1193835763 /nfs/dbraw/zinc/83/57/63/1193835763.db2.gz LDXHGLMECWJUGL-HZPDHXFCSA-N 2 0 369.554 0.079 20 0 FCADRP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218558330 1224172767 /nfs/dbraw/zinc/17/27/67/1224172767.db2.gz YEEHKSVWEPFBKS-OKZBNKHCSA-N 2 0 369.506 0.435 20 0 FCADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655366 1193860085 /nfs/dbraw/zinc/86/00/85/1193860085.db2.gz HUNCOJLYUYGYOD-QQTQMKHKSA-N 2 0 369.550 0.923 20 0 FCADRP CCNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658760 1193861366 /nfs/dbraw/zinc/86/13/66/1193861366.db2.gz JOBWOVDSKCUISD-RGCFKVTRSA-N 2 0 368.522 0.040 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001083469908 1193864985 /nfs/dbraw/zinc/86/49/85/1193864985.db2.gz PPGAWORLEXRBNI-YRXWBPOGSA-N 2 0 365.518 0.695 20 0 FCADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000551931730 1193877103 /nfs/dbraw/zinc/87/71/03/1193877103.db2.gz ATEVJLJECIKPRQ-UHFFFAOYSA-N 2 0 358.446 1.248 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nccnc1OCc1ccccc1 ZINC001218568612 1224174442 /nfs/dbraw/zinc/17/44/42/1224174442.db2.gz LHMOXJUMFANKPY-MRXNPFEDSA-N 2 0 370.457 0.745 20 0 FCADRP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)no1 ZINC001075976260 1193890316 /nfs/dbraw/zinc/89/03/16/1193890316.db2.gz RRWGPFHROMZSFI-APHBMKBZSA-N 2 0 361.446 0.161 20 0 FCADRP COc1ccc(F)cc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472350 1193899753 /nfs/dbraw/zinc/89/97/53/1193899753.db2.gz SLJQXOHNMYGBHZ-YYQUZTFQSA-N 2 0 365.449 0.836 20 0 FCADRP CN1CCN(c2ncc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cn2)CC1 ZINC001218580576 1224176665 /nfs/dbraw/zinc/17/66/65/1224176665.db2.gz SBEANYRMWRBOFD-OAHLLOKOSA-N 2 0 359.478 0.041 20 0 FCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000552191694 1193913650 /nfs/dbraw/zinc/91/36/50/1193913650.db2.gz ORIJKBKNCOMGCK-INIZCTEOSA-N 2 0 368.522 0.546 20 0 FCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000552191695 1193914183 /nfs/dbraw/zinc/91/41/83/1193914183.db2.gz ORIJKBKNCOMGCK-MRXNPFEDSA-N 2 0 368.522 0.546 20 0 FCADRP O=C(Nc1ncnc2c1cnn2-c1ccccc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218608218 1224180951 /nfs/dbraw/zinc/18/09/51/1224180951.db2.gz AJBHZZNHWUOJMI-BFUOFWGJSA-N 2 0 363.425 0.953 20 0 FCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000553712363 1194015859 /nfs/dbraw/zinc/01/58/59/1194015859.db2.gz QUKQOISXHUZQBY-SJORKVTESA-N 2 0 368.522 0.450 20 0 FCADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001218639809 1224187905 /nfs/dbraw/zinc/18/79/05/1224187905.db2.gz DEQDSQNZOYCVBT-RDTXWAMCSA-N 2 0 352.398 0.075 20 0 FCADRP O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218642590 1224188073 /nfs/dbraw/zinc/18/80/73/1224188073.db2.gz AYCIVYRVMOGTJS-STQMWFEESA-N 2 0 371.445 0.948 20 0 FCADRP O=C(Nc1ncnc2c1ncn2[C@H]1CCCO1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218642586 1224188220 /nfs/dbraw/zinc/18/82/20/1224188220.db2.gz AYCIVYRVMOGTJS-QWHCGFSZSA-N 2 0 371.445 0.948 20 0 FCADRP CC1(C)CC[N@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000898596100 1194048714 /nfs/dbraw/zinc/04/87/14/1194048714.db2.gz POVGWWARKGBGNS-UHFFFAOYSA-N 2 0 365.522 0.668 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001142583975 1194049473 /nfs/dbraw/zinc/04/94/73/1194049473.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 2 0 367.538 0.023 20 0 FCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000842191483 1194085927 /nfs/dbraw/zinc/08/59/27/1194085927.db2.gz YDKZWHMXYQKBMD-YLJYHZDGSA-N 2 0 358.486 0.835 20 0 FCADRP C[C@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842191467 1194085940 /nfs/dbraw/zinc/08/59/40/1194085940.db2.gz XYTKZJBIMYEIBH-YLJYHZDGSA-N 2 0 358.486 0.868 20 0 FCADRP C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000842187762 1194086201 /nfs/dbraw/zinc/08/62/01/1194086201.db2.gz ADGVSRCQXZJALO-PXNSSMCTSA-N 2 0 374.485 0.201 20 0 FCADRP CC(C)[C@H]1N(C(=O)CCC[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105675749 1194106326 /nfs/dbraw/zinc/10/63/26/1194106326.db2.gz RHKOEWNDEKAWDD-HNBVOPMISA-N 2 0 367.534 0.821 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792294 1194164807 /nfs/dbraw/zinc/16/48/07/1194164807.db2.gz RJOMSHIBVFALAW-OAFZBRQQSA-N 2 0 363.506 0.465 20 0 FCADRP Cc1nc2[nH]cnc2c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218700078 1224199254 /nfs/dbraw/zinc/19/92/54/1224199254.db2.gz VKQODGQCFPYLSF-RYUDHWBXSA-N 2 0 374.449 0.047 20 0 FCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076046671 1194272518 /nfs/dbraw/zinc/27/25/18/1194272518.db2.gz GNRFLENIKGGNDT-IAOVAPTHSA-N 2 0 353.426 0.759 20 0 FCADRP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691627268 1194325556 /nfs/dbraw/zinc/32/55/56/1194325556.db2.gz ZQFYPQZCAUMTAG-IYOUNJFTSA-N 2 0 356.486 0.819 20 0 FCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076457521 1194498419 /nfs/dbraw/zinc/49/84/19/1194498419.db2.gz GYYPLFBVIAWSBM-RYQLBKOJSA-N 2 0 358.486 0.760 20 0 FCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447094 1194501303 /nfs/dbraw/zinc/50/13/03/1194501303.db2.gz PRHCAXHLBLSZMK-RCCFBDPRSA-N 2 0 362.518 0.905 20 0 FCADRP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504624 1194528824 /nfs/dbraw/zinc/52/88/24/1194528824.db2.gz IZRWKNJNJBXQBQ-JCGIZDLHSA-N 2 0 371.485 0.947 20 0 FCADRP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796094 1224227925 /nfs/dbraw/zinc/22/79/25/1224227925.db2.gz WDXPJMBGMNZMKX-AUUYWEPGSA-N 2 0 368.522 0.184 20 0 FCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])cc2)CC1 ZINC001218845645 1224239021 /nfs/dbraw/zinc/23/90/21/1224239021.db2.gz GEWAKBZRCHDMMO-SFHVURJKSA-N 2 0 373.501 0.712 20 0 FCADRP O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218860208 1224243009 /nfs/dbraw/zinc/24/30/09/1224243009.db2.gz UTYHRAZLSYZDJF-KRWDZBQOSA-N 2 0 360.458 0.430 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001218882628 1224246957 /nfs/dbraw/zinc/24/69/57/1224246957.db2.gz XHBHHUVBSJACFF-KRWDZBQOSA-N 2 0 373.501 0.743 20 0 FCADRP Cn1cnc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])cc21 ZINC001218885316 1224247031 /nfs/dbraw/zinc/24/70/31/1224247031.db2.gz IXTIHPAACSOVBQ-HOCLYGCPSA-N 2 0 372.473 0.959 20 0 FCADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001218882629 1224247952 /nfs/dbraw/zinc/24/79/52/1224247952.db2.gz XHBHHUVBSJACFF-QGZVFWFLSA-N 2 0 373.501 0.743 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218901706 1224251545 /nfs/dbraw/zinc/25/15/45/1224251545.db2.gz LSRZGPJVFIXZSY-JKSUJKDBSA-N 2 0 361.446 0.026 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919651 1224260411 /nfs/dbraw/zinc/26/04/11/1224260411.db2.gz XKHYWWHFGZOWST-YESZJQIVSA-N 2 0 366.506 0.249 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014480 1195148664 /nfs/dbraw/zinc/14/86/64/1195148664.db2.gz ZDPOLGZDAOWWEJ-RTBURBONSA-N 2 0 371.485 0.728 20 0 FCADRP COC(=O)c1n[nH]c2cccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)c21 ZINC001218933015 1224262681 /nfs/dbraw/zinc/26/26/81/1224262681.db2.gz VYTQGBSNNAGREG-NSHDSACASA-N 2 0 360.418 0.038 20 0 FCADRP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077024768 1195156065 /nfs/dbraw/zinc/15/60/65/1195156065.db2.gz PACIGCHOLQTVHW-UTRMSSBJSA-N 2 0 361.486 0.739 20 0 FCADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218935277 1224264668 /nfs/dbraw/zinc/26/46/68/1224264668.db2.gz CIVVFONGEFCVKX-KRWDZBQOSA-N 2 0 366.469 0.856 20 0 FCADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)C1 ZINC001083563350 1195221387 /nfs/dbraw/zinc/22/13/87/1195221387.db2.gz LFCGDTQYWVKADW-HIEASXQVSA-N 2 0 365.518 0.839 20 0 FCADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077218920 1195327908 /nfs/dbraw/zinc/32/79/08/1195327908.db2.gz APTHYUBWHPFOIH-GVDBMIGSSA-N 2 0 365.518 0.839 20 0 FCADRP CC(C)N(C)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965258 1224273633 /nfs/dbraw/zinc/27/36/33/1224273633.db2.gz IHWVLYIDPFSQFP-YESZJQIVSA-N 2 0 366.506 0.107 20 0 FCADRP Cc1cncc(CN2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)c1 ZINC001218971299 1224275483 /nfs/dbraw/zinc/27/54/83/1224275483.db2.gz XDPDHHMZXGBBJX-ZWKOTPCHSA-N 2 0 362.474 0.380 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276281 1195377811 /nfs/dbraw/zinc/37/78/11/1195377811.db2.gz VWAXTQPCEKLWOT-CGTJXYLNSA-N 2 0 358.442 0.987 20 0 FCADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001218971316 1224276896 /nfs/dbraw/zinc/27/68/96/1224276896.db2.gz YBMHNABHIGVUJV-OKZBNKHCSA-N 2 0 369.506 0.293 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219000756 1224281118 /nfs/dbraw/zinc/28/11/18/1224281118.db2.gz AFQWXFMMGHSPHV-IXDOHACOSA-N 2 0 366.506 0.251 20 0 FCADRP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418133 1195518134 /nfs/dbraw/zinc/51/81/34/1195518134.db2.gz KCYXZAAGZJYHEF-IQZRMOLJSA-N 2 0 371.481 0.520 20 0 FCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904946636 1195556559 /nfs/dbraw/zinc/55/65/59/1195556559.db2.gz HYNKBIKRILWHDM-UHFFFAOYSA-N 2 0 360.502 0.916 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591393 1195590790 /nfs/dbraw/zinc/59/07/90/1195590790.db2.gz ATWZFZXXPMWELI-OLMNPRSZSA-N 2 0 358.442 0.844 20 0 FCADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591549 1195591547 /nfs/dbraw/zinc/59/15/47/1195591547.db2.gz JSDSJQYEXFDWHJ-MSOLQXFVSA-N 2 0 358.442 0.844 20 0 FCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3CN(C)CC[N@H+](C)C3)cn2)CC1 ZINC000906230593 1195620123 /nfs/dbraw/zinc/62/01/23/1195620123.db2.gz AMXSGRNOMBPCJU-UHFFFAOYSA-N 2 0 374.533 0.333 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(OC)cc(OC)n1 ZINC000906487767 1195632418 /nfs/dbraw/zinc/63/24/18/1195632418.db2.gz HIRCXOOTORLSPL-CQSZACIVSA-N 2 0 365.478 0.982 20 0 FCADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000906645914 1195641811 /nfs/dbraw/zinc/64/18/11/1195641811.db2.gz NBCNDNMAUVBGLW-MRXNPFEDSA-N 2 0 360.458 0.797 20 0 FCADRP C[NH+](C)CCc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)cc1 ZINC001219022898 1224296781 /nfs/dbraw/zinc/29/67/81/1224296781.db2.gz YVWNLUQZPLYJNW-INIZCTEOSA-N 2 0 364.490 0.988 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000910828343 1195847608 /nfs/dbraw/zinc/84/76/08/1195847608.db2.gz IIBOMBXZGINOBR-SOLBZPMBSA-N 2 0 371.485 0.671 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000910831221 1195850922 /nfs/dbraw/zinc/85/09/22/1195850922.db2.gz WUYAUBOXDKZXRE-OXQOHEQNSA-N 2 0 371.485 0.673 20 0 FCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029225 1195880116 /nfs/dbraw/zinc/88/01/16/1195880116.db2.gz LSXOLJJJNYPLTC-DTTOXWODSA-N 2 0 358.486 0.964 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000911100373 1195889130 /nfs/dbraw/zinc/88/91/30/1195889130.db2.gz FESGJHBFAKHRGC-GASCZTMLSA-N 2 0 374.485 0.520 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037357 1224309973 /nfs/dbraw/zinc/30/99/73/1224309973.db2.gz GALHSKFTGDAJOE-OKZBNKHCSA-N 2 0 369.506 0.171 20 0 FCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911123756 1195892830 /nfs/dbraw/zinc/89/28/30/1195892830.db2.gz JDDXWKZVOHOJGH-QLPKVWCKSA-N 2 0 358.486 0.867 20 0 FCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC3([NH3+])CC3)CC2)c1 ZINC000911189464 1195905777 /nfs/dbraw/zinc/90/57/77/1195905777.db2.gz OSPKVMIQDNUQMP-UHFFFAOYSA-N 2 0 373.501 0.231 20 0 FCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000911170843 1195909910 /nfs/dbraw/zinc/90/99/10/1195909910.db2.gz XSRFVFZFQNTXQS-QGZVFWFLSA-N 2 0 373.501 0.089 20 0 FCADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000911245770 1195922510 /nfs/dbraw/zinc/92/25/10/1195922510.db2.gz BVCDHKAQTHORSP-QGZVFWFLSA-N 2 0 358.486 0.965 20 0 FCADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067045 1224334209 /nfs/dbraw/zinc/33/42/09/1224334209.db2.gz HBGUDUYRBPUTPV-OKZBNKHCSA-N 2 0 369.506 0.171 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)c1 ZINC001083654321 1196347116 /nfs/dbraw/zinc/34/71/16/1196347116.db2.gz IEYQKZHDUBDKSO-TUKJNDCMSA-N 2 0 371.481 0.520 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000912460371 1196347970 /nfs/dbraw/zinc/34/79/70/1196347970.db2.gz DDEPMOKHUCBOFO-UHFFFAOYSA-N 2 0 369.554 0.271 20 0 FCADRP CC1(C)CC(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655069 1196349874 /nfs/dbraw/zinc/34/98/74/1196349874.db2.gz UCDXMVXSNADDPY-FWFFWDSWSA-N 2 0 363.502 0.447 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000991479904 1196464204 /nfs/dbraw/zinc/46/42/04/1196464204.db2.gz QUYMXOCMNCQLMX-BZUAXINKSA-N 2 0 359.474 0.723 20 0 FCADRP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219090522 1224349693 /nfs/dbraw/zinc/34/96/93/1224349693.db2.gz XPHWKZGBBABPDX-ADLMAVQZSA-N 2 0 372.404 0.715 20 0 FCADRP CCN1CC[NH+](CCCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592962096 1196597188 /nfs/dbraw/zinc/59/71/88/1196597188.db2.gz WBNCNDCDZTVPES-MRXNPFEDSA-N 2 0 362.522 0.867 20 0 FCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958940 1196600365 /nfs/dbraw/zinc/60/03/65/1196600365.db2.gz AGSTZVGYQCHDBK-GJZGRUSLSA-N 2 0 360.506 0.618 20 0 FCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000594102371 1196691431 /nfs/dbraw/zinc/69/14/31/1196691431.db2.gz MYGMTYPCAWWQPP-BBWFWOEESA-N 2 0 367.538 0.993 20 0 FCADRP CCn1nnc2c1[C@H](C(=O)Nc1cccc(N3CC[NH2+]CC3)c1)CNC2 ZINC001219116865 1224360987 /nfs/dbraw/zinc/36/09/87/1224360987.db2.gz STMJCMZZJIUFCI-OAHLLOKOSA-N 2 0 355.446 0.533 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088898927 1196830860 /nfs/dbraw/zinc/83/08/60/1196830860.db2.gz BTHXUKWIVBUQSK-NJAFHUGGSA-N 2 0 363.506 0.555 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088939916 1196842630 /nfs/dbraw/zinc/84/26/30/1196842630.db2.gz QRCIRYUSUVVKQV-SQNIBIBYSA-N 2 0 363.506 0.555 20 0 FCADRP [NH3+]CC(=O)NCC(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190450 1224380950 /nfs/dbraw/zinc/38/09/50/1224380950.db2.gz MQZCVUWLGNJVEC-UHFFFAOYSA-N 2 0 373.379 0.124 20 0 FCADRP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219193777 1224383024 /nfs/dbraw/zinc/38/30/24/1224383024.db2.gz MKJJCHBCOWXKBZ-GJZGRUSLSA-N 2 0 372.391 0.772 20 0 FCADRP C[NH+](CC(=O)N1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C1CCC1 ZINC000913741484 1197120452 /nfs/dbraw/zinc/12/04/52/1197120452.db2.gz RIWNFPYMTYQRRL-QGZVFWFLSA-N 2 0 366.506 0.299 20 0 FCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)c1 ZINC000913757764 1197125540 /nfs/dbraw/zinc/12/55/40/1197125540.db2.gz UBLXNNSFSXWDKR-NLWGTHIKSA-N 2 0 361.486 0.767 20 0 FCADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5nc[nH]c54)CC3)[C@H]2C1 ZINC001272521983 1197250945 /nfs/dbraw/zinc/25/09/45/1197250945.db2.gz OUZOEPOVJYZFOW-IHRRRGAJSA-N 2 0 357.458 0.498 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5nc[nH]c54)CC3)[C@@H]2C1 ZINC001272521984 1197251036 /nfs/dbraw/zinc/25/10/36/1197251036.db2.gz OUZOEPOVJYZFOW-MGPQQGTHSA-N 2 0 357.458 0.498 20 0 FCADRP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001106148048 1197308241 /nfs/dbraw/zinc/30/82/41/1197308241.db2.gz DRYKPGBFKVEYNX-DTTOXWODSA-N 2 0 362.522 0.919 20 0 FCADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283641 1224414015 /nfs/dbraw/zinc/41/40/15/1224414015.db2.gz WTPJTELHKDQKKC-BBRMVZONSA-N 2 0 364.421 0.644 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992948769 1197627595 /nfs/dbraw/zinc/62/75/95/1197627595.db2.gz PUYZTIVUZLQCOA-QKLQHJQFSA-N 2 0 362.518 0.731 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@]3(C)C2)CCC1 ZINC000993031859 1197703399 /nfs/dbraw/zinc/70/33/99/1197703399.db2.gz LXRVMLFRFWZDGP-MDZRGWNJSA-N 2 0 362.518 0.872 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106210952 1197706988 /nfs/dbraw/zinc/70/69/88/1197706988.db2.gz JTTUWSAMVQCIMR-ZACQAIPSSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106249585 1197781225 /nfs/dbraw/zinc/78/12/25/1197781225.db2.gz LIJZQPGPNQCCLZ-SIIHOXLZSA-N 2 0 364.490 0.160 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255222 1197792938 /nfs/dbraw/zinc/79/29/38/1197792938.db2.gz KNUJAHBUHMQJCG-HZPDHXFCSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661217 1197799881 /nfs/dbraw/zinc/79/98/81/1197799881.db2.gz JYLJQFPZGFUHTD-MSOLQXFVSA-N 2 0 367.538 0.567 20 0 FCADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001085295636 1197801392 /nfs/dbraw/zinc/80/13/92/1197801392.db2.gz QWNBJXWLNGROCE-KFWWJZLASA-N 2 0 364.490 0.683 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106432281 1197920175 /nfs/dbraw/zinc/92/01/75/1197920175.db2.gz UEZBCJFTCWQCAJ-GDBMZVCRSA-N 2 0 370.457 0.657 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736385936 1197929517 /nfs/dbraw/zinc/92/95/17/1197929517.db2.gz CPEGFIZZSCNTDR-BPQIPLTHSA-N 2 0 366.506 0.650 20 0 FCADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106471577 1197955286 /nfs/dbraw/zinc/95/52/86/1197955286.db2.gz ASTJZASOXSNEBR-BFYDXBDKSA-N 2 0 360.502 0.962 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)no1 ZINC001106599814 1198029596 /nfs/dbraw/zinc/02/95/96/1198029596.db2.gz OXYXSXWLHPKOBY-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597572 1198030883 /nfs/dbraw/zinc/03/08/83/1198030883.db2.gz AQVILUDLFOETKV-QLFBSQMISA-N 2 0 369.510 0.247 20 0 FCADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106634950 1198039534 /nfs/dbraw/zinc/03/95/34/1198039534.db2.gz QUHZXJMLSJNYNR-JFIYKMOQSA-N 2 0 370.538 0.409 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000741088889 1198060693 /nfs/dbraw/zinc/06/06/93/1198060693.db2.gz FFGXTXVCJDSHSX-GOSISDBHSA-N 3 0 369.554 0.765 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403459 1198207529 /nfs/dbraw/zinc/20/75/29/1198207529.db2.gz HYSJFFVKCAXCJJ-HNAYVOBHSA-N 2 0 366.506 0.251 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403460 1198209099 /nfs/dbraw/zinc/20/90/99/1198209099.db2.gz HYSJFFVKCAXCJJ-KXBFYZLASA-N 2 0 366.506 0.251 20 0 FCADRP Nc1cccc2c1N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001219439911 1224467854 /nfs/dbraw/zinc/46/78/54/1224467854.db2.gz OXYYDVRVBGCMHT-HOTGVXAUSA-N 2 0 359.474 0.605 20 0 FCADRP O=C(Nc1ccc(O[C@H]2CCNCC2(F)F)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453695 1224475606 /nfs/dbraw/zinc/47/56/06/1224475606.db2.gz NNGRWCULOQVGMW-CABCVRRESA-N 2 0 366.412 0.810 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501497 1224489116 /nfs/dbraw/zinc/48/91/16/1224489116.db2.gz VMUNTCZVPMRZMJ-NEYQJUBMSA-N 2 0 371.441 0.039 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cn1cccn1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498370 1224488148 /nfs/dbraw/zinc/48/81/48/1224488148.db2.gz XEKRPSZHBXKGAS-SGTLLEGYSA-N 2 0 370.413 0.041 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498349 1224488395 /nfs/dbraw/zinc/48/83/95/1224488395.db2.gz WTMJCOMIAZWEOK-XIKOKIGWSA-N 2 0 370.413 0.110 20 0 FCADRP COc1cc2c(cc1NC(=O)CNC1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500952 1224489519 /nfs/dbraw/zinc/48/95/19/1224489519.db2.gz LVNMPWHAVLMGEV-LJQANCHMSA-N 2 0 373.457 0.159 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](OC)CC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503854 1224490032 /nfs/dbraw/zinc/49/00/32/1224490032.db2.gz OBGKAXNYVDCOSN-SGJUXQJHSA-N 2 0 374.441 0.584 20 0 FCADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504565 1224491463 /nfs/dbraw/zinc/49/14/63/1224491463.db2.gz VARBUHCOLCGNBO-QFBILLFUSA-N 3 0 373.457 0.144 20 0 FCADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)COC1(C)C ZINC001219539794 1224502799 /nfs/dbraw/zinc/50/27/99/1224502799.db2.gz AUHRWNKFZNOESO-YODMDTAWSA-N 2 0 374.441 0.384 20 0 FCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001169170480 1199053757 /nfs/dbraw/zinc/05/37/57/1199053757.db2.gz VZHNJGGRVPWGHZ-KBPBESRZSA-N 2 0 362.478 0.416 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129337679 1199079845 /nfs/dbraw/zinc/07/98/45/1199079845.db2.gz SZARLKRSRSBTFS-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NCCC2(O)C[NH2+]C2)c2cc3ccccc3[nH]2)C1 ZINC001219696511 1224564416 /nfs/dbraw/zinc/56/44/16/1224564416.db2.gz JSDFZIJEQYZVNV-CRAIPNDOSA-N 2 0 371.485 0.473 20 0 FCADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001219705843 1224567612 /nfs/dbraw/zinc/56/76/12/1224567612.db2.gz QFKMNESZRPXQRH-SFHVURJKSA-N 2 0 352.438 0.617 20 0 FCADRP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)Cc1ccc(OCc2ccccc2)cc1 ZINC001219712136 1224570341 /nfs/dbraw/zinc/57/03/41/1224570341.db2.gz LNNKLAKTRLAGSA-DFQSSKMNSA-N 2 0 369.465 0.974 20 0 FCADRP N[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727160 1224579497 /nfs/dbraw/zinc/57/94/97/1224579497.db2.gz YEVBSUYTYJDGKH-WIYYLYMNSA-N 3 0 371.529 0.295 20 0 FCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCN1 ZINC001219723281 1224576004 /nfs/dbraw/zinc/57/60/04/1224576004.db2.gz KMRLLAFTBATYOK-ROUUACIJSA-N 2 0 358.486 0.550 20 0 FCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219729401 1224581040 /nfs/dbraw/zinc/58/10/40/1224581040.db2.gz VNPUUIVUNYYIEH-QRVBRYPASA-N 3 0 372.513 0.327 20 0 FCADRP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737399 1224586409 /nfs/dbraw/zinc/58/64/09/1224586409.db2.gz VDKWIFPNNGPXLD-KSZLIROESA-N 2 0 359.470 0.819 20 0 FCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743970 1224589449 /nfs/dbraw/zinc/58/94/49/1224589449.db2.gz QAXPFKBOZUNFJR-JKSUJKDBSA-N 2 0 367.490 0.664 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749417 1224594714 /nfs/dbraw/zinc/59/47/14/1224594714.db2.gz MVTQUKFYHMXYFF-KRWDZBQOSA-N 2 0 371.489 0.283 20 0 FCADRP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC21CC[NH2+]CC1 ZINC001219753383 1224596456 /nfs/dbraw/zinc/59/64/56/1224596456.db2.gz HBEPYPZTYBSFIP-WMZOPIPTSA-N 2 0 368.481 0.655 20 0 FCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001109411644 1200251976 /nfs/dbraw/zinc/25/19/76/1200251976.db2.gz FVMDQRXKSCAXDE-QZWWFDLISA-N 2 0 358.490 0.971 20 0 FCADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764241 1224600756 /nfs/dbraw/zinc/60/07/56/1224600756.db2.gz BQCOEZBUHIESEJ-FGTMMUONSA-N 2 0 374.485 0.247 20 0 FCADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764207 1224600942 /nfs/dbraw/zinc/60/09/42/1224600942.db2.gz AODKSSIDTHDVSW-SQNIBIBYSA-N 2 0 359.518 0.292 20 0 FCADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219774960 1224608197 /nfs/dbraw/zinc/60/81/97/1224608197.db2.gz GEUSFSSENBRIKU-QRWLVFNGSA-N 2 0 354.454 0.744 20 0 FCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001109651008 1200443830 /nfs/dbraw/zinc/44/38/30/1200443830.db2.gz FAHDFLFMIHNXDK-UGUYLWEFSA-N 2 0 358.490 0.829 20 0 FCADRP O=C(N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001219794785 1224615512 /nfs/dbraw/zinc/61/55/12/1224615512.db2.gz ONMGWAMHYNYFKM-SQNIBIBYSA-N 2 0 371.497 0.931 20 0 FCADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219790743 1224613665 /nfs/dbraw/zinc/61/36/65/1224613665.db2.gz KROSBORZSXZTBF-BHIYHBOVSA-N 2 0 359.518 0.930 20 0 FCADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793160 1224615267 /nfs/dbraw/zinc/61/52/67/1224615267.db2.gz AVUBTMNAUUOXIY-OXJNMPFZSA-N 3 0 364.534 0.868 20 0 FCADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794546 1224615857 /nfs/dbraw/zinc/61/58/57/1224615857.db2.gz DNBZFSUGCMJPBV-SQNIBIBYSA-N 2 0 369.506 0.218 20 0 FCADRP C[NH+]1CCC(NC(=O)c2ccc(-n3nnc4ccc(C[NH3+])cc43)nn2)CC1 ZINC001170022727 1200529270 /nfs/dbraw/zinc/52/92/70/1200529270.db2.gz ZFZHLJINOURCNW-UHFFFAOYSA-N 2 0 366.429 0.493 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)CC1 ZINC001109900490 1200597593 /nfs/dbraw/zinc/59/75/93/1200597593.db2.gz SKHFVPXBTHCUPP-NJAFHUGGSA-N 2 0 361.490 0.715 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219813416 1224630463 /nfs/dbraw/zinc/63/04/63/1224630463.db2.gz STTXGELDSNAUMM-FNHZYXHNSA-N 2 0 357.454 0.689 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112548689 1200774107 /nfs/dbraw/zinc/77/41/07/1200774107.db2.gz MDKGTVXYPYKBKU-KSSFIOAISA-N 2 0 364.494 0.169 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112557726 1200784453 /nfs/dbraw/zinc/78/44/53/1200784453.db2.gz UVYGXHDUODFKTP-KHYOSLBOSA-N 2 0 364.490 0.352 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112563050 1200796310 /nfs/dbraw/zinc/79/63/10/1200796310.db2.gz COBNFWWGOMNCPA-LPHOPBHVSA-N 2 0 366.506 0.015 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112563580 1200797314 /nfs/dbraw/zinc/79/73/14/1200797314.db2.gz CJPVHVWVSJOPIC-KXBFYZLASA-N 2 0 366.506 0.062 20 0 FCADRP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563833 1200800359 /nfs/dbraw/zinc/80/03/59/1200800359.db2.gz PQQTYALATDVAPG-HKUYNNGSSA-N 2 0 371.522 0.446 20 0 FCADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219814397 1224632347 /nfs/dbraw/zinc/63/23/47/1224632347.db2.gz CIOJJQHQDBEPKT-FVCZOJIISA-N 2 0 356.470 0.065 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001112567485 1200802207 /nfs/dbraw/zinc/80/22/07/1200802207.db2.gz RNDQBOBTGMUVLX-YJBOKZPZSA-N 2 0 363.510 0.660 20 0 FCADRP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2)C1CC1 ZINC001112578757 1200817174 /nfs/dbraw/zinc/81/71/74/1200817174.db2.gz FUOAPSDTVODAOK-JXFKEZNVSA-N 2 0 362.518 0.921 20 0 FCADRP Cc1nccn1-c1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC000787479734 1200887492 /nfs/dbraw/zinc/88/74/92/1200887492.db2.gz WNKKARDSEBSWAH-UHFFFAOYSA-N 2 0 356.430 0.402 20 0 FCADRP Cc1ccc([C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)N2CCC[NH2+]CC2)cc1 ZINC001219831751 1224643762 /nfs/dbraw/zinc/64/37/62/1224643762.db2.gz XBJORXCXPVKHAM-ZRNYENFQSA-N 2 0 372.513 0.825 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831772 1224643890 /nfs/dbraw/zinc/64/38/90/1224643890.db2.gz XPLDDARUVKXNNQ-NRKLIOEPSA-N 2 0 368.522 0.384 20 0 FCADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001219834146 1224645006 /nfs/dbraw/zinc/64/50/06/1224645006.db2.gz OLFGMFLKAHFDFG-MCNSAMFCSA-N 2 0 373.497 0.891 20 0 FCADRP O=C(Cc1ccc2c(c1)C[NH2+]CC2)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834493 1224645751 /nfs/dbraw/zinc/64/57/51/1224645751.db2.gz QNFPIHZNZVWQDV-OXJNMPFZSA-N 2 0 359.470 0.386 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838638 1224646982 /nfs/dbraw/zinc/64/69/82/1224646982.db2.gz SMDLSTKWNJTHPC-RPVQJOFSSA-N 2 0 369.412 0.346 20 0 FCADRP CC(C)C[C@H](C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O)n1ccnc1 ZINC001219853332 1224655440 /nfs/dbraw/zinc/65/54/40/1224655440.db2.gz PZXLHYJBRCSUPO-ZACQAIPSSA-N 2 0 360.462 0.528 20 0 FCADRP [NH3+][C@H]1CCN([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2cc3ccccc3o2)C1 ZINC001219856732 1224656578 /nfs/dbraw/zinc/65/65/78/1224656578.db2.gz YXROSTRVPWBTQK-LTFPAQTLSA-N 2 0 370.453 0.610 20 0 FCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncnc2)[C@H](O)OC(C)(C)C)C1 ZINC001170393022 1201208785 /nfs/dbraw/zinc/20/87/85/1201208785.db2.gz JEDTXROBPNHPEK-JVNPIMRCSA-N 2 0 367.494 0.750 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114299417 1201292536 /nfs/dbraw/zinc/29/25/36/1201292536.db2.gz WBIOAIFUKWJOEN-SUJAAXHWSA-N 2 0 365.522 0.471 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461647 1201327537 /nfs/dbraw/zinc/32/75/37/1201327537.db2.gz YJBQVKXLMFENIN-BBWFWOEESA-N 2 0 364.494 0.386 20 0 FCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684754 1201370262 /nfs/dbraw/zinc/37/02/62/1201370262.db2.gz JUEGAFRGALOKFA-ZACQAIPSSA-N 2 0 364.494 0.386 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129855390 1201405634 /nfs/dbraw/zinc/40/56/34/1201405634.db2.gz JFRBYUPPLXWKMG-SYQHCUMBSA-N 2 0 374.411 0.912 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910329 1201423290 /nfs/dbraw/zinc/42/32/90/1201423290.db2.gz OKUOXAJUGRGIPB-ZACQAIPSSA-N 2 0 364.494 0.529 20 0 FCADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895917 1201430540 /nfs/dbraw/zinc/43/05/40/1201430540.db2.gz MCNAMYFCQMGDIA-BBWFWOEESA-N 2 0 364.494 0.244 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129896415 1201431167 /nfs/dbraw/zinc/43/11/67/1201431167.db2.gz ZDQVMNYEDRNCBL-BBWFWOEESA-N 2 0 366.485 0.957 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129924628 1201443574 /nfs/dbraw/zinc/44/35/74/1201443574.db2.gz COWRUTXMXWXYSF-SJORKVTESA-N 2 0 369.429 0.618 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129970568 1201458010 /nfs/dbraw/zinc/45/80/10/1201458010.db2.gz UJSUTGZGONCBLE-CVEARBPZSA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983343 1201463151 /nfs/dbraw/zinc/46/31/51/1201463151.db2.gz YELJSBRQCKMFRL-CVEARBPZSA-N 2 0 364.494 0.386 20 0 FCADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012091 1201471162 /nfs/dbraw/zinc/47/11/62/1201471162.db2.gz OFXKLIPASZRDIR-CVEARBPZSA-N 2 0 364.494 0.388 20 0 FCADRP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012036 1201471312 /nfs/dbraw/zinc/47/13/12/1201471312.db2.gz LBHSTKATFWWYQZ-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130028647 1201480383 /nfs/dbraw/zinc/48/03/83/1201480383.db2.gz ZBBZNEGITFZWHI-UAGQMJEPSA-N 2 0 364.494 0.386 20 0 FCADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001130085858 1201494091 /nfs/dbraw/zinc/49/40/91/1201494091.db2.gz BCENSLMPMZZJLU-CVEARBPZSA-N 2 0 370.473 0.338 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219905297 1224677212 /nfs/dbraw/zinc/67/72/12/1224677212.db2.gz ZYGNFBVCOXIPKC-CVEARBPZSA-N 2 0 366.510 0.340 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130074701 1201495071 /nfs/dbraw/zinc/49/50/71/1201495071.db2.gz FQJBOBYXMOTCDF-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094700 1201498571 /nfs/dbraw/zinc/49/85/71/1201498571.db2.gz PXBXXOYZZLGZEX-SJORKVTESA-N 2 0 366.510 0.777 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130096615 1201499147 /nfs/dbraw/zinc/49/91/47/1201499147.db2.gz MSNJQXFMBHJGEO-SJORKVTESA-N 2 0 366.510 0.778 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130107187 1201502343 /nfs/dbraw/zinc/50/23/43/1201502343.db2.gz IEWMVGQGAAVYLM-SJORKVTESA-N 2 0 364.494 0.388 20 0 FCADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139482 1201515498 /nfs/dbraw/zinc/51/54/98/1201515498.db2.gz AERREMTUVLALEK-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130247148 1201567314 /nfs/dbraw/zinc/56/73/14/1201567314.db2.gz WKXORSVNLDDCLY-IHRRRGAJSA-N 2 0 368.457 0.194 20 0 FCADRP CO[C@@H](C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298990 1201580040 /nfs/dbraw/zinc/58/00/40/1201580040.db2.gz QNOFFWVJTQCBQO-GMBSWORKSA-N 2 0 368.522 0.448 20 0 FCADRP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130298747 1201580155 /nfs/dbraw/zinc/58/01/55/1201580155.db2.gz FFCCCCRQYRELKU-APWZRJJASA-N 2 0 368.522 0.450 20 0 FCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219940735 1224692587 /nfs/dbraw/zinc/69/25/87/1224692587.db2.gz CNQLSMRZBGZUKB-RDJZCZTQSA-N 2 0 368.522 0.627 20 0 FCADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)c2)CC1 ZINC001219959335 1224701288 /nfs/dbraw/zinc/70/12/88/1224701288.db2.gz QXBJIOBZGNIFFY-YTQUADARSA-N 2 0 358.486 0.822 20 0 FCADRP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC[NH2+]CC1 ZINC001220001312 1224723766 /nfs/dbraw/zinc/72/37/66/1224723766.db2.gz PDMMEEHRECXOJJ-BEFAXECRSA-N 2 0 372.469 0.124 20 0 FCADRP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220050006 1224737879 /nfs/dbraw/zinc/73/78/79/1224737879.db2.gz XJEKOMGISUMVLM-KKUMJFAQSA-N 2 0 370.494 0.282 20 0 FCADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672135 1202751643 /nfs/dbraw/zinc/75/16/43/1202751643.db2.gz IUIXHXQRWKFPTB-SOLBZPMBSA-N 2 0 363.506 0.825 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)[NH+](CC)CC ZINC001130675658 1202752864 /nfs/dbraw/zinc/75/28/64/1202752864.db2.gz ZWCKIHVNFBTLKJ-JQHSSLGASA-N 2 0 365.522 0.807 20 0 FCADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130706704 1202757400 /nfs/dbraw/zinc/75/74/00/1202757400.db2.gz UBRCHWZJSXPSBM-XYJFISCASA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130729014 1202764349 /nfs/dbraw/zinc/76/43/49/1202764349.db2.gz RRWQHJCJQGSCTR-FUHWJXTLSA-N 2 0 363.506 0.825 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC001220069965 1224744621 /nfs/dbraw/zinc/74/46/21/1224744621.db2.gz UYJHZBIPYNZJOS-IRXDYDNUSA-N 2 0 374.485 0.685 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC001130783145 1202794327 /nfs/dbraw/zinc/79/43/27/1202794327.db2.gz MGEMURISSNHHJR-LXTVHRRPSA-N 2 0 364.494 0.981 20 0 FCADRP C[NH+]1CCC(C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC1 ZINC001130802393 1202803447 /nfs/dbraw/zinc/80/34/47/1202803447.db2.gz RJXLQTDNPWXQDT-UONOGXRCSA-N 2 0 368.457 0.542 20 0 FCADRP CC[C@H](F)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802169 1202803495 /nfs/dbraw/zinc/80/34/95/1202803495.db2.gz GAIMUJRUHPVUPP-MELADBBJSA-N 2 0 370.473 0.930 20 0 FCADRP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC[NH+](C)C)n2)O1 ZINC001130816341 1202807147 /nfs/dbraw/zinc/80/71/47/1202807147.db2.gz RSDGMKYTDLTMRP-UONOGXRCSA-N 2 0 368.482 0.219 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)on1 ZINC001131061619 1202853774 /nfs/dbraw/zinc/85/37/74/1202853774.db2.gz HZYCXWDJQYNSPD-HZPDHXFCSA-N 2 0 360.462 0.752 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001131061438 1202853808 /nfs/dbraw/zinc/85/38/08/1202853808.db2.gz DONFODFLVBSBKP-BRWVUGGUSA-N 2 0 363.506 0.682 20 0 FCADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131060177 1202853927 /nfs/dbraw/zinc/85/39/27/1202853927.db2.gz XTXHAFIEQNHGGW-BRWVUGGUSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131107850 1202864247 /nfs/dbraw/zinc/86/42/47/1202864247.db2.gz CNCZMSKEMRAFIA-IAGOWNOFSA-N 2 0 365.522 0.928 20 0 FCADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120944 1202865871 /nfs/dbraw/zinc/86/58/71/1202865871.db2.gz DSBLZJYBRKUIGK-GVDBMIGSSA-N 2 0 363.506 0.681 20 0 FCADRP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313333 1202888047 /nfs/dbraw/zinc/88/80/47/1202888047.db2.gz OJYPQZHSFGJNCV-XHSDSOJGSA-N 2 0 364.490 0.843 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131454220 1202898528 /nfs/dbraw/zinc/89/85/28/1202898528.db2.gz RAJKVVKSDAMWTD-SQNIBIBYSA-N 2 0 369.506 0.075 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1COC2=O ZINC000808937688 1202907010 /nfs/dbraw/zinc/90/70/10/1202907010.db2.gz CKSBVKSRLQDNPJ-UHFFFAOYSA-N 2 0 362.430 0.247 20 0 FCADRP CN1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001131564755 1202915029 /nfs/dbraw/zinc/91/50/29/1202915029.db2.gz UOTWBHXUMPTMGW-RYRKJORJSA-N 2 0 366.506 0.155 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131595456 1202919155 /nfs/dbraw/zinc/91/91/55/1202919155.db2.gz XXXNFFRYLVJUOQ-KYJSFNMBSA-N 2 0 368.522 0.578 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)n1 ZINC001086699115 1202973840 /nfs/dbraw/zinc/97/38/40/1202973840.db2.gz VADKKALAGDGVTN-GVDBMIGSSA-N 2 0 363.506 0.969 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)[C@@H](c2ccccc2)C1 ZINC001134129390 1203014680 /nfs/dbraw/zinc/01/46/80/1203014680.db2.gz IVFCHJALYWJPQD-QRVBRYPASA-N 2 0 371.485 0.295 20 0 FCADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086744690 1203068494 /nfs/dbraw/zinc/06/84/94/1203068494.db2.gz HVYFEIIQXWFADV-ZNMIVQPWSA-N 2 0 362.474 0.295 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000817951770 1203127796 /nfs/dbraw/zinc/12/77/96/1203127796.db2.gz HCKIFHONQOIWPP-YOEHRIQHSA-N 2 0 362.474 0.281 20 0 FCADRP CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086825597 1203151562 /nfs/dbraw/zinc/15/15/62/1203151562.db2.gz TWVHPRKAMWBOHE-IMJJTQAJSA-N 2 0 364.494 0.197 20 0 FCADRP COCC(C)(C)[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000819894747 1203173156 /nfs/dbraw/zinc/17/31/56/1203173156.db2.gz AWIQYWRNHOAXIG-LJQANCHMSA-N 2 0 366.506 0.903 20 0 FCADRP CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC000821328623 1203202780 /nfs/dbraw/zinc/20/27/80/1203202780.db2.gz LZNWEUXNUTZZBK-CEXWTWQISA-N 2 0 358.486 0.816 20 0 FCADRP CN1CCN(C(=O)c2ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822973089 1203243398 /nfs/dbraw/zinc/24/33/98/1203243398.db2.gz QJGPNGMZHLTZEJ-AWEZNQCLSA-N 2 0 372.429 0.050 20 0 FCADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c1 ZINC001220120583 1224776831 /nfs/dbraw/zinc/77/68/31/1224776831.db2.gz IIZUXYHNUBAGPW-FZKQIMNGSA-N 2 0 359.430 0.350 20 0 FCADRP C[NH+]1CCN(C[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000844192536 1203338713 /nfs/dbraw/zinc/33/87/13/1203338713.db2.gz WUWBTVOYGOKOQW-RTBURBONSA-N 2 0 360.502 0.860 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163779 1224792453 /nfs/dbraw/zinc/79/24/53/1224792453.db2.gz VETJJJVYQUCYJX-ZWOKBUDYSA-N 2 0 358.486 0.711 20 0 FCADRP COC(=O)[C@]1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001220225537 1224808476 /nfs/dbraw/zinc/80/84/76/1224808476.db2.gz HGFPJIXYXLIALV-APWZRJJASA-N 2 0 371.441 0.213 20 0 FCADRP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229055 1224810397 /nfs/dbraw/zinc/81/03/97/1224810397.db2.gz KPPVRTHUUYONHR-AEFFLSMTSA-N 2 0 360.502 0.756 20 0 FCADRP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1 ZINC001220229384 1224811104 /nfs/dbraw/zinc/81/11/04/1224811104.db2.gz YZKGXZGLWHWYER-MSOLQXFVSA-N 2 0 361.486 0.741 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220236683 1224812467 /nfs/dbraw/zinc/81/24/67/1224812467.db2.gz DORFTWBKTRSYKI-QRVBRYPASA-N 2 0 363.502 0.483 20 0 FCADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311566 1224826030 /nfs/dbraw/zinc/82/60/30/1224826030.db2.gz ORVZTDIVVAGPMD-SFHVURJKSA-N 2 0 355.442 0.888 20 0 FCADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220320202 1224827418 /nfs/dbraw/zinc/82/74/18/1224827418.db2.gz LWSLEMNLNXEIOJ-ICSRJNTNSA-N 2 0 358.486 0.733 20 0 FCADRP Cc1ccc(N(C(=O)CN(C)C(N)=[NH2+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001144132504 1204422983 /nfs/dbraw/zinc/42/29/83/1204422983.db2.gz UQCKDWJZQUKEDL-UHFFFAOYSA-N 2 0 367.457 0.963 20 0 FCADRP CCOC(=O)C1(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC[NH+](C)CC1 ZINC001220346107 1224836689 /nfs/dbraw/zinc/83/66/89/1224836689.db2.gz YQYVSQSJVCSJSE-MAUKXSAKSA-N 2 0 367.490 0.679 20 0 FCADRP O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353880 1224839840 /nfs/dbraw/zinc/83/98/40/1224839840.db2.gz LNRHWEOPPIEEPJ-QAETUUGQSA-N 2 0 361.442 0.285 20 0 FCADRP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357333 1224842243 /nfs/dbraw/zinc/84/22/43/1224842243.db2.gz KJHBANJKHOPUMZ-QZWWFDLISA-N 2 0 361.442 0.285 20 0 FCADRP C[C@@H](C(=O)NOC1CC[NH+](C)CC1)[C@@H](C)C(=O)NOC1CC[NH+](C)CC1 ZINC000846650675 1204649526 /nfs/dbraw/zinc/64/95/26/1204649526.db2.gz ULFJERNAFBZJQW-ZIAGYGMSSA-N 2 0 370.494 0.543 20 0 FCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846836930 1204669236 /nfs/dbraw/zinc/66/92/36/1204669236.db2.gz JECKQFZYUKCSPQ-LJQANCHMSA-N 2 0 370.538 0.928 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O)[NH+](C)C ZINC001220380327 1224850026 /nfs/dbraw/zinc/85/00/26/1224850026.db2.gz YVQORFOLBRLKRF-SQNIBIBYSA-N 2 0 361.486 0.666 20 0 FCADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387160 1224852578 /nfs/dbraw/zinc/85/25/78/1224852578.db2.gz DFNQPHDUMWCUSQ-QRQLOZEOSA-N 2 0 361.486 0.849 20 0 FCADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388001 1224853825 /nfs/dbraw/zinc/85/38/25/1224853825.db2.gz XMWYFEPRBOKFHD-KSZLIROESA-N 2 0 371.522 0.465 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737689 1204837774 /nfs/dbraw/zinc/83/77/74/1204837774.db2.gz HNFSYBBKIKKELV-KPFFTGBYSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758340 1204843553 /nfs/dbraw/zinc/84/35/53/1204843553.db2.gz AORKMRFTAQGAHF-BPAFIMBUSA-N 2 0 364.534 0.974 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091758935 1204843617 /nfs/dbraw/zinc/84/36/17/1204843617.db2.gz RWFAXIYHXWZWNG-GJYPPUQNSA-N 2 0 365.522 0.378 20 0 FCADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001086854217 1204852875 /nfs/dbraw/zinc/85/28/75/1204852875.db2.gz NCXGLVKBZNOMGW-LSDHHAIUSA-N 2 0 359.474 0.956 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086979108 1204877214 /nfs/dbraw/zinc/87/72/14/1204877214.db2.gz JIUWFJNVRNTMNG-DLBZAZTESA-N 2 0 363.506 0.561 20 0 FCADRP Cn1cc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086989179 1204882282 /nfs/dbraw/zinc/88/22/82/1204882282.db2.gz MUAYVGDAKHCOLB-KSZLIROESA-N 2 0 361.490 0.171 20 0 FCADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086989317 1204882329 /nfs/dbraw/zinc/88/23/29/1204882329.db2.gz VHIJXLWDJSWJFZ-FXICWAJMSA-N 2 0 359.474 0.187 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087034979 1204910749 /nfs/dbraw/zinc/91/07/49/1204910749.db2.gz GLEGVPDURKYHLE-HYVNUMGLSA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087035073 1204911066 /nfs/dbraw/zinc/91/10/66/1204911066.db2.gz KLXJGWGOQWNJSK-BZUAXINKSA-N 2 0 364.494 0.345 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087053981 1204934315 /nfs/dbraw/zinc/93/43/15/1204934315.db2.gz OQJIRJWVHLTMNB-DJIMGWMZSA-N 2 0 365.478 0.896 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087054594 1204935161 /nfs/dbraw/zinc/93/51/61/1204935161.db2.gz SAVYLAQOGLMIAR-DJIMGWMZSA-N 2 0 363.462 0.365 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087055274 1204935917 /nfs/dbraw/zinc/93/59/17/1204935917.db2.gz CRZKLRICTYVONC-MUIFIZLQSA-N 2 0 364.494 0.108 20 0 FCADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059746 1204943759 /nfs/dbraw/zinc/94/37/59/1204943759.db2.gz SRKQQVLDTRSICX-GDBMZVCRSA-N 2 0 364.494 0.253 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087061172 1204947905 /nfs/dbraw/zinc/94/79/05/1204947905.db2.gz SBMRDNFACTYMCO-NXHRZFHOSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083496 1204970111 /nfs/dbraw/zinc/97/01/11/1204970111.db2.gz HVRLKKWXUXLCGL-BFYDXBDKSA-N 2 0 364.494 0.110 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087080859 1204992922 /nfs/dbraw/zinc/99/29/22/1204992922.db2.gz JETVROLAVNDXND-JFIYKMOQSA-N 2 0 365.522 0.959 20 0 FCADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087100944 1204998648 /nfs/dbraw/zinc/99/86/48/1204998648.db2.gz MCPCUEJOCYPBEJ-LZLYRXPVSA-N 2 0 363.506 0.808 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001087101250 1205000058 /nfs/dbraw/zinc/00/00/58/1205000058.db2.gz ALVWDRNFQHZNGP-BRWVUGGUSA-N 2 0 366.506 0.156 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087096379 1205003292 /nfs/dbraw/zinc/00/32/92/1205003292.db2.gz KIXBRKROPTZKPN-JFIYKMOQSA-N 2 0 363.506 0.715 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856483 1205051786 /nfs/dbraw/zinc/05/17/86/1205051786.db2.gz STZWRXILUVVLGG-ALKREAHSSA-N 2 0 355.442 0.992 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856203 1205052110 /nfs/dbraw/zinc/05/21/10/1205052110.db2.gz KRIXJEJOLAJESU-BEFAXECRSA-N 2 0 355.442 0.816 20 0 FCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879449 1205062534 /nfs/dbraw/zinc/06/25/34/1205062534.db2.gz KXCNJDRFNNBSCH-KPFFTGBYSA-N 2 0 362.518 0.729 20 0 FCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960021 1205092784 /nfs/dbraw/zinc/09/27/84/1205092784.db2.gz KMZUGBPJXKCBIC-VCBZYWHSSA-N 2 0 362.474 0.999 20 0 FCADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429320 1224869046 /nfs/dbraw/zinc/86/90/46/1224869046.db2.gz PGCFXSMOHGKHPN-MJQMVNBJSA-N 2 0 358.486 0.723 20 0 FCADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011502 1205112536 /nfs/dbraw/zinc/11/25/36/1205112536.db2.gz XQQVHITXYDXTMB-HLIPFELVSA-N 2 0 362.518 0.873 20 0 FCADRP [NH3+][C@@H]1CCCN([C@@H](C(=O)NC[C@H]2COCC[NH2+]2)c2cc3ccccc3[nH]2)C1 ZINC001220431471 1224869994 /nfs/dbraw/zinc/86/99/94/1224869994.db2.gz HNUGFLHGOIIWJG-JTDSTZFVSA-N 2 0 371.485 0.737 20 0 FCADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092203654 1205197320 /nfs/dbraw/zinc/19/73/20/1205197320.db2.gz URSHHUYOAUHXHG-MDZRGWNJSA-N 2 0 370.501 0.642 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)cn1 ZINC001092203205 1205197654 /nfs/dbraw/zinc/19/76/54/1205197654.db2.gz IFNSFALSJHHHDC-MJGOQNOKSA-N 2 0 357.502 0.839 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203844 1205198184 /nfs/dbraw/zinc/19/81/84/1205198184.db2.gz ZTDHOVGAPVBZAO-GJYPPUQNSA-N 2 0 360.502 0.483 20 0 FCADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092274767 1205221895 /nfs/dbraw/zinc/22/18/95/1205221895.db2.gz LWAAQFRGNBVQIU-HLIPFELVSA-N 2 0 362.518 0.779 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301502 1205234979 /nfs/dbraw/zinc/23/49/79/1205234979.db2.gz KXEDZFZTDPDLNS-LMMKCTJWSA-N 2 0 360.506 0.933 20 0 FCADRP NC(=[NH2+])N(C(=O)[C@H](N)C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460752 1224880844 /nfs/dbraw/zinc/88/08/44/1224880844.db2.gz XPIODTWNTUDNDL-MRXNPFEDSA-N 2 0 360.462 0.077 20 0 FCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611467 1205324262 /nfs/dbraw/zinc/32/42/62/1205324262.db2.gz XFMJOWNMSQPFGH-ATZDWAIDSA-N 2 0 359.518 0.989 20 0 FCADRP NC(=[NH2+])N(C(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460751 1224880980 /nfs/dbraw/zinc/88/09/80/1224880980.db2.gz XPIODTWNTUDNDL-INIZCTEOSA-N 2 0 360.462 0.077 20 0 FCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)O1 ZINC001220481613 1224887899 /nfs/dbraw/zinc/88/78/99/1224887899.db2.gz LKHSTKSEOROSJU-BORJPKMPSA-N 2 0 361.446 0.274 20 0 FCADRP [NH3+][C@@H](CNC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC001220503557 1224894832 /nfs/dbraw/zinc/89/48/32/1224894832.db2.gz DXARGSOMVUDQBU-RDJZCZTQSA-N 2 0 366.425 0.820 20 0 FCADRP CCOC(=O)C1=C(NC(=O)c2cccnc2O[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC001220525687 1224906616 /nfs/dbraw/zinc/90/66/16/1224906616.db2.gz OOUOVIKFNWIVIR-LBPRGKRZSA-N 2 0 360.414 0.363 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120739 1206027551 /nfs/dbraw/zinc/02/75/51/1206027551.db2.gz LOAFZTQJIBRVFF-ZTFGCOKTSA-N 2 0 362.518 0.681 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137172 1206034014 /nfs/dbraw/zinc/03/40/14/1206034014.db2.gz REVGAKALICDQNE-ZIAGYGMSSA-N 2 0 357.462 0.774 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093289400 1206073957 /nfs/dbraw/zinc/07/39/57/1206073957.db2.gz QSRSQCMBJUTJDB-BFYDXBDKSA-N 2 0 366.506 0.060 20 0 FCADRP CC(C)[C@@H]1N(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460181 1206083557 /nfs/dbraw/zinc/08/35/57/1206083557.db2.gz QGNDHOYXEFETLC-PDOICOKGSA-N 2 0 367.534 0.819 20 0 FCADRP CC(C)[C@@H]1N(C(=O)CC2CC[NH+](C)CC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465440 1206084720 /nfs/dbraw/zinc/08/47/20/1206084720.db2.gz HXDLYFFIQMWRSP-JYBIWHBTSA-N 2 0 367.534 0.677 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001093672824 1206099729 /nfs/dbraw/zinc/09/97/29/1206099729.db2.gz FSKPMTAANKYKPP-BZUAXINKSA-N 2 0 360.506 0.893 20 0 FCADRP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001093774572 1206114320 /nfs/dbraw/zinc/11/43/20/1206114320.db2.gz KTGSLXBRWIIOPJ-OIISXLGYSA-N 2 0 360.506 0.824 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093806312 1206121100 /nfs/dbraw/zinc/12/11/00/1206121100.db2.gz WLVNKMSDCQEWCS-KFWWJZLASA-N 2 0 364.494 0.167 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093824020 1206123991 /nfs/dbraw/zinc/12/39/91/1206123991.db2.gz CSZXGJDRDZQXHP-FRFSOERESA-N 2 0 366.485 0.772 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093998053 1206166964 /nfs/dbraw/zinc/16/69/64/1206166964.db2.gz IMPKTEYOCLLNGA-BMFZPTHFSA-N 2 0 362.474 0.918 20 0 FCADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093998726 1206167167 /nfs/dbraw/zinc/16/71/67/1206167167.db2.gz YJGKHGTWJRALSV-FVQBIDKESA-N 2 0 362.474 0.870 20 0 FCADRP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001094042253 1206174420 /nfs/dbraw/zinc/17/44/20/1206174420.db2.gz PLQBWSOAUCESJO-RBSFLKMASA-N 2 0 365.478 0.742 20 0 FCADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094137777 1206191344 /nfs/dbraw/zinc/19/13/44/1206191344.db2.gz WPZLRDGUUDXQQW-INMHGKMJSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001094169954 1206198318 /nfs/dbraw/zinc/19/83/18/1206198318.db2.gz FXRZTXGZCDUZNO-BZUAXINKSA-N 2 0 358.490 0.545 20 0 FCADRP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001094169836 1206198453 /nfs/dbraw/zinc/19/84/53/1206198453.db2.gz YMGZJGPLQZXALF-HUUCEWRRSA-N 2 0 361.494 0.534 20 0 FCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094171053 1206198630 /nfs/dbraw/zinc/19/86/30/1206198630.db2.gz HIJVOEYRBFNWBS-IIAWOOMASA-N 2 0 359.474 0.676 20 0 FCADRP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1=O ZINC001094220842 1206203163 /nfs/dbraw/zinc/20/31/63/1206203163.db2.gz YUUZXURJXADERB-QLFBSQMISA-N 2 0 363.458 0.784 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCc2cn(C3C[NH+](C[C@H]4CCOC4)C3)nn2)CC[N@@H+]1C ZINC001094293375 1206215629 /nfs/dbraw/zinc/21/56/29/1206215629.db2.gz MAENGAJBJFRQDF-CKEIUWERSA-N 2 0 362.478 0.128 20 0 FCADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417146 1206223972 /nfs/dbraw/zinc/22/39/72/1206223972.db2.gz JRWCCKNRGDXKHL-MBOZVWFJSA-N 2 0 362.518 0.777 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)CC[N@@H+]1C ZINC001094419931 1206224090 /nfs/dbraw/zinc/22/40/90/1206224090.db2.gz JRMVNQFPPMWRBP-WVSUBDOOSA-N 2 0 362.518 0.966 20 0 FCADRP O=C(NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001094474303 1206233673 /nfs/dbraw/zinc/23/36/73/1206233673.db2.gz UFVIBQIUDLEKMY-MXPCJUPISA-N 2 0 363.502 0.593 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578391 1206240316 /nfs/dbraw/zinc/24/03/16/1206240316.db2.gz UUDVXUFGWAKTEM-SQGPQFPESA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CCC4)C3)C2)CC[N@@H+]1C ZINC001094740710 1206245738 /nfs/dbraw/zinc/24/57/38/1206245738.db2.gz SJPHDMTXBDABSN-RYQLBKOJSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172172517 1206259333 /nfs/dbraw/zinc/25/93/33/1206259333.db2.gz FIKWBLPUYCCPGL-CVEARBPZSA-N 2 0 359.474 0.664 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172240693 1206260701 /nfs/dbraw/zinc/26/07/01/1206260701.db2.gz ZCYIFFKXPNMATO-AYHJJNSGSA-N 2 0 362.518 0.643 20 0 FCADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173465096 1206274715 /nfs/dbraw/zinc/27/47/15/1206274715.db2.gz ZOJOBHFDSAPKIV-MRXNPFEDSA-N 2 0 363.458 0.532 20 0 FCADRP COC(=O)[C@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173497057 1206275173 /nfs/dbraw/zinc/27/51/73/1206275173.db2.gz QYYBLPAZGUUAOX-IAGOWNOFSA-N 2 0 362.474 0.313 20 0 FCADRP COC(=O)[C@@H]1C[C@H](N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173582156 1206282890 /nfs/dbraw/zinc/28/28/90/1206282890.db2.gz KBSZIQIXQMKEMC-BJWYYQGGSA-N 2 0 371.522 0.933 20 0 FCADRP C[NH+](C)CCn1cc(-n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cn1 ZINC001176444543 1206314762 /nfs/dbraw/zinc/31/47/62/1206314762.db2.gz QTZHAELXTYVDNB-UHFFFAOYSA-N 2 0 359.478 0.051 20 0 FCADRP O=C(NCC[NH2+]CCO)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178332790 1206355198 /nfs/dbraw/zinc/35/51/98/1206355198.db2.gz LKNAIMQHULQOIZ-VQTJNVASSA-N 2 0 368.481 0.995 20 0 FCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001181980190 1206418028 /nfs/dbraw/zinc/41/80/28/1206418028.db2.gz XXMMBAVYFUAPCS-KRWDZBQOSA-N 2 0 374.533 0.703 20 0 FCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220585565 1224951356 /nfs/dbraw/zinc/95/13/56/1224951356.db2.gz PSIKYTPUPAJQRP-DNVCBOLYSA-N 2 0 360.458 0.063 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)C1 ZINC001183379899 1206452909 /nfs/dbraw/zinc/45/29/09/1206452909.db2.gz RTKKLVRENFSDDV-CALCHBBNSA-N 2 0 358.486 0.963 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273512232 1206489664 /nfs/dbraw/zinc/48/96/64/1206489664.db2.gz RHXNHIHKKLIKIL-FJIDUMEYSA-N 2 0 360.502 0.624 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512799 1206490701 /nfs/dbraw/zinc/49/07/01/1206490701.db2.gz YDYRISAMLIHXAR-IRXDYDNUSA-N 2 0 360.502 0.483 20 0 FCADRP COC(=O)[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001186115530 1206493787 /nfs/dbraw/zinc/49/37/87/1206493787.db2.gz BYICVZPVVPADBI-IMBTUZDBSA-N 2 0 357.454 0.728 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001220637340 1224979654 /nfs/dbraw/zinc/97/96/54/1224979654.db2.gz BXVXBHRGUAZCGS-BBWFWOEESA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220642459 1224980452 /nfs/dbraw/zinc/98/04/52/1224980452.db2.gz BVNWRUBBRZWCOF-JQHSSLGASA-N 2 0 369.506 0.218 20 0 FCADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001220642688 1224982782 /nfs/dbraw/zinc/98/27/82/1224982782.db2.gz IMPFRURECFWDON-SQNIBIBYSA-N 2 0 369.506 0.074 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245776 1207433818 /nfs/dbraw/zinc/43/38/18/1207433818.db2.gz AUGAWAUWHWCQEQ-OKZBNKHCSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCN(Cc2ccccc2C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001188366197 1207446929 /nfs/dbraw/zinc/44/69/29/1207446929.db2.gz RDLXQOILCXLFPP-UHFFFAOYSA-N 2 0 373.545 0.801 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001189110481 1207501477 /nfs/dbraw/zinc/50/14/77/1207501477.db2.gz PSTIZUIDGJFYPO-GVDBMIGSSA-N 2 0 365.522 0.665 20 0 FCADRP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]2C1)C1CC1 ZINC001189092813 1207505522 /nfs/dbraw/zinc/50/55/22/1207505522.db2.gz GHGWOGZUZHNQLX-ZMSDIMECSA-N 2 0 371.485 0.889 20 0 FCADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391018 1207538027 /nfs/dbraw/zinc/53/80/27/1207538027.db2.gz NSANZLKFAIDWSK-XYJFISCASA-N 2 0 363.506 0.752 20 0 FCADRP CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801220 1207609962 /nfs/dbraw/zinc/60/99/62/1207609962.db2.gz BZRWFDAKLLZSQZ-YESZJQIVSA-N 2 0 362.518 0.776 20 0 FCADRP CCCCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801387 1207610454 /nfs/dbraw/zinc/61/04/54/1207610454.db2.gz DRPJDCJJZFBLMP-YESZJQIVSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220687047 1225013080 /nfs/dbraw/zinc/01/30/80/1225013080.db2.gz CWYSQZSMTKCDIG-IRXDYDNUSA-N 2 0 356.470 0.350 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688240 1225015391 /nfs/dbraw/zinc/01/53/91/1225015391.db2.gz BBFJGUPEUDDTDL-OTWHNJEPSA-N 2 0 363.502 0.747 20 0 FCADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C[C@@H](O)c3ccccc3F)C[C@H]2O)CCC1 ZINC001193774097 1207888079 /nfs/dbraw/zinc/88/80/79/1207888079.db2.gz HJPNTIWNQVIMIC-BRWVUGGUSA-N 2 0 365.449 0.505 20 0 FCADRP CCOc1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001193791629 1207889433 /nfs/dbraw/zinc/88/94/33/1207889433.db2.gz NQIKDPPDWDXNAJ-IAGOWNOFSA-N 2 0 362.474 0.626 20 0 FCADRP CC[N@H+](C)CC(=O)N1CCn2c(C(=O)NC3CC[NH+](C)CC3)cnc2C1 ZINC001273665733 1207893095 /nfs/dbraw/zinc/89/30/95/1207893095.db2.gz CZVRPZHUMKPSQV-UHFFFAOYSA-N 2 0 362.478 0.001 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892267 1207897162 /nfs/dbraw/zinc/89/71/62/1207897162.db2.gz HQFCPASOKGLUDN-GVDBMIGSSA-N 2 0 366.506 0.035 20 0 FCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901480 1207897918 /nfs/dbraw/zinc/89/79/18/1207897918.db2.gz FZJDFDYSDAYHBE-IPMKNSEASA-N 2 0 361.486 0.715 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1O ZINC001194076424 1207913678 /nfs/dbraw/zinc/91/36/78/1207913678.db2.gz PTCIYQULTQOXFV-IAGOWNOFSA-N 2 0 362.474 0.101 20 0 FCADRP COCCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194306778 1207930089 /nfs/dbraw/zinc/93/00/89/1207930089.db2.gz AOIKSTUVKSETPB-IAGOWNOFSA-N 2 0 362.430 0.081 20 0 FCADRP CN(CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289278 1207934674 /nfs/dbraw/zinc/93/46/74/1207934674.db2.gz HAWDEUVXWYJERL-RCCFBDPRSA-N 2 0 362.474 0.638 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194960690 1207983833 /nfs/dbraw/zinc/98/38/33/1207983833.db2.gz CBAYXUCRYSPXMY-RTBURBONSA-N 2 0 363.502 0.991 20 0 FCADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194962142 1207984418 /nfs/dbraw/zinc/98/44/18/1207984418.db2.gz VDAFWBFYMJDRFJ-ATZDWAIDSA-N 2 0 363.502 0.727 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001195701931 1208035906 /nfs/dbraw/zinc/03/59/06/1208035906.db2.gz UHOQQDPIVGBXPM-HUUCEWRRSA-N 2 0 363.462 0.063 20 0 FCADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196214469 1208067916 /nfs/dbraw/zinc/06/79/16/1208067916.db2.gz CTZKNZGNGZWTPQ-RTBURBONSA-N 2 0 363.502 0.747 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@H+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001196268234 1208069820 /nfs/dbraw/zinc/06/98/20/1208069820.db2.gz DCYAJWADQBDRAI-KZNAEPCWSA-N 2 0 369.506 0.435 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O)[NH+](C)C ZINC001196268111 1208069864 /nfs/dbraw/zinc/06/98/64/1208069864.db2.gz OYLOGZWIGFZYCL-OWCLPIDISA-N 2 0 363.458 0.459 20 0 FCADRP Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)o1 ZINC001196306712 1208070921 /nfs/dbraw/zinc/07/09/21/1208070921.db2.gz GYPNNIQOOPZPPK-KBRIMQKVSA-N 2 0 366.462 0.145 20 0 FCADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308411 1208071090 /nfs/dbraw/zinc/07/10/90/1208071090.db2.gz ZCHUVMTVNWZRJY-CGTJXYLNSA-N 2 0 369.506 0.218 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001197319464 1208152685 /nfs/dbraw/zinc/15/26/85/1208152685.db2.gz IMPFRURECFWDON-KZNAEPCWSA-N 2 0 369.506 0.074 20 0 FCADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197320097 1208153252 /nfs/dbraw/zinc/15/32/52/1208153252.db2.gz VNXQVYQOBLEVAJ-KBAYOESNSA-N 2 0 369.506 0.075 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536259 1208171590 /nfs/dbraw/zinc/17/15/90/1208171590.db2.gz QLGYGABUVFAWCR-KZNAEPCWSA-N 2 0 367.465 0.232 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001197775877 1208196214 /nfs/dbraw/zinc/19/62/14/1208196214.db2.gz PCEVSGNYJZMSDV-QXAKKESOSA-N 2 0 361.486 0.959 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2ncc[nH]2)C3)cc1=O ZINC001110510514 1208257176 /nfs/dbraw/zinc/25/71/76/1208257176.db2.gz IBARMVDNXWXNMO-OAGGEKHMSA-N 2 0 355.442 0.963 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057518 1208314783 /nfs/dbraw/zinc/31/47/83/1208314783.db2.gz LQENEDSLWBKIGF-RCCFBDPRSA-N 2 0 371.522 0.057 20 0 FCADRP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199071162 1208315884 /nfs/dbraw/zinc/31/58/84/1208315884.db2.gz LXZVXFONQHQHDH-IAGOWNOFSA-N 2 0 362.474 0.628 20 0 FCADRP C[N@@H+]1CCC[C@H](C(=O)N2CC3(CCN3C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835736 1208407010 /nfs/dbraw/zinc/40/70/10/1208407010.db2.gz QIIIAGGIECRSLA-DLBZAZTESA-N 2 0 360.502 0.626 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@@H]1O ZINC001220768663 1225062631 /nfs/dbraw/zinc/06/26/31/1225062631.db2.gz XGEMIXSGMWVTGO-FZWSFRSISA-N 2 0 361.486 0.829 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001273855705 1208434169 /nfs/dbraw/zinc/43/41/69/1208434169.db2.gz VIBDSWAEAXCYOJ-QGZVFWFLSA-N 2 0 362.518 0.873 20 0 FCADRP COC(=O)c1cn(-c2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C(=O)OC)c1N ZINC001201655761 1208462413 /nfs/dbraw/zinc/46/24/13/1208462413.db2.gz RMGYSFMWNAGBBV-UHFFFAOYSA-N 2 0 373.413 0.780 20 0 FCADRP O=C(NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001110569418 1208462864 /nfs/dbraw/zinc/46/28/64/1208462864.db2.gz NBOHJXWGZXSROW-TVFCKZIOSA-N 2 0 360.502 0.576 20 0 FCADRP O=C(NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001110569419 1208463025 /nfs/dbraw/zinc/46/30/25/1208463025.db2.gz NBOHJXWGZXSROW-XDNAFOTISA-N 2 0 360.502 0.576 20 0 FCADRP CC(C)N(C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569233 1208463130 /nfs/dbraw/zinc/46/31/30/1208463130.db2.gz HFLLUOIEDWCZNT-XDNAFOTISA-N 2 0 362.518 0.917 20 0 FCADRP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575276 1208480967 /nfs/dbraw/zinc/48/09/67/1208480967.db2.gz DJDSEDSGTROJCI-HHARLNAUSA-N 2 0 366.506 0.201 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001488409090 1208509018 /nfs/dbraw/zinc/50/90/18/1208509018.db2.gz JHFGOEQFRACRGA-OWCLPIDISA-N 2 0 370.538 0.240 20 0 FCADRP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001489199133 1208660870 /nfs/dbraw/zinc/66/08/70/1208660870.db2.gz CGCILPMGHDQHLT-MSOLQXFVSA-N 2 0 358.486 0.427 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C[NH2+]C1 ZINC001220827069 1225092000 /nfs/dbraw/zinc/09/20/00/1225092000.db2.gz GMKIWLNJXDYRGP-KRWDZBQOSA-N 2 0 359.426 0.424 20 0 FCADRP CCOC(=O)C1=C(NC(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220827078 1225092766 /nfs/dbraw/zinc/09/27/66/1225092766.db2.gz GVNWSBGLQYYFJY-QGZVFWFLSA-N 2 0 371.437 0.873 20 0 FCADRP COC(=O)[C@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840542 1225100837 /nfs/dbraw/zinc/10/08/37/1225100837.db2.gz PCPWOBZLDXNJJL-HUUCEWRRSA-N 2 0 362.430 0.616 20 0 FCADRP CCOC(=O)C1(NC(=O)C[C@H]([NH3+])Cc2cccc(C(F)(F)F)c2)C[NH2+]C1 ZINC001220851124 1225106217 /nfs/dbraw/zinc/10/62/17/1225106217.db2.gz IQJXQSSQBWZJLS-CYBMUJFWSA-N 2 0 373.375 0.987 20 0 FCADRP CCOC(=O)C1(NC(=O)C2=CC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]C1 ZINC001220851015 1225106405 /nfs/dbraw/zinc/10/64/05/1225106405.db2.gz DEEQHMHQOUVOPX-UHFFFAOYSA-N 2 0 355.438 0.726 20 0 FCADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220903523 1225131593 /nfs/dbraw/zinc/13/15/93/1225131593.db2.gz UIKWCPOHYBUCCI-LJQANCHMSA-N 3 0 374.529 0.989 20 0 FCADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851935459 1209524304 /nfs/dbraw/zinc/52/43/04/1209524304.db2.gz VWNFJJBRNDODKE-OAQYLSRUSA-N 2 0 374.529 0.709 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ncccn1 ZINC000852032839 1209529669 /nfs/dbraw/zinc/52/96/69/1209529669.db2.gz WGJVHWQSPTXKFZ-UHFFFAOYSA-N 2 0 355.446 0.883 20 0 FCADRP CC(CN1CC[C@@H](N2CCOC2=O)C1)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437569 1209549016 /nfs/dbraw/zinc/54/90/16/1209549016.db2.gz YXANDDQXPSAZAD-HZPDHXFCSA-N 2 0 366.462 0.676 20 0 FCADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001220928027 1225145468 /nfs/dbraw/zinc/14/54/68/1225145468.db2.gz DVQFIESYYIMHDK-IRXDYDNUSA-N 2 0 374.485 0.726 20 0 FCADRP O=C(NCCO[C@H]1CC[NH2+]C1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001220938883 1225149690 /nfs/dbraw/zinc/14/96/90/1225149690.db2.gz CXCDAPZMHLPUPC-KRWDZBQOSA-N 2 0 360.458 0.277 20 0 FCADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220949233 1225154174 /nfs/dbraw/zinc/15/41/74/1225154174.db2.gz VSCNBJDQWKNKHI-KRWDZBQOSA-N 2 0 361.490 0.040 20 0 FCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001110738565 1209771257 /nfs/dbraw/zinc/77/12/57/1209771257.db2.gz IFTOVXCZVIBNKZ-VQHPVUNQSA-N 2 0 371.522 0.462 20 0 FCADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000858192577 1209779522 /nfs/dbraw/zinc/77/95/22/1209779522.db2.gz NLDUPHWKYYQKCU-DLBZAZTESA-N 2 0 366.506 0.746 20 0 FCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000861508227 1209868822 /nfs/dbraw/zinc/86/88/22/1209868822.db2.gz KZABBEODDMTJLP-GOSISDBHSA-N 2 0 373.501 0.833 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000861541092 1209870454 /nfs/dbraw/zinc/87/04/54/1209870454.db2.gz VINBEGKYRLBGNS-OAHLLOKOSA-N 2 0 373.501 0.963 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976833 1225168971 /nfs/dbraw/zinc/16/89/71/1225168971.db2.gz PQSMMVCTKVMISJ-KBPBESRZSA-N 2 0 364.465 0.706 20 0 FCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000867542237 1210012267 /nfs/dbraw/zinc/01/22/67/1210012267.db2.gz DWWCDMCKIZFHLI-UHFFFAOYSA-N 2 0 367.538 0.025 20 0 FCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868385336 1210058015 /nfs/dbraw/zinc/05/80/15/1210058015.db2.gz PIDKXSBTEUZZHQ-KRWDZBQOSA-N 2 0 367.538 0.057 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ncn2ccccc12 ZINC001221008144 1225184490 /nfs/dbraw/zinc/18/44/90/1225184490.db2.gz KXIGDQFXAVABLI-YOEHRIQHSA-N 2 0 372.473 0.398 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C1([NH3+])CCCC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070194 1225208388 /nfs/dbraw/zinc/20/83/88/1225208388.db2.gz IZGBJMNAKAMTBH-UYJHQMFVSA-N 2 0 369.506 0.676 20 0 FCADRP CCC(CC)[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070029 1225208659 /nfs/dbraw/zinc/20/86/59/1225208659.db2.gz BWLAQKGPVPFLFQ-NRVVWFHISA-N 2 0 367.490 0.157 20 0 FCADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000876781526 1210430212 /nfs/dbraw/zinc/43/02/12/1210430212.db2.gz HWEXULWWCDBGRZ-DOTOQJQBSA-N 2 0 362.522 0.729 20 0 FCADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221073461 1225211581 /nfs/dbraw/zinc/21/15/81/1225211581.db2.gz XMYJSYNKECYPDQ-QRVBRYPASA-N 2 0 367.534 0.965 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@](C)(CO)COC)cc2)CC1 ZINC000879160643 1210474151 /nfs/dbraw/zinc/47/41/51/1210474151.db2.gz HVEDAWUAPHMDPJ-LJQANCHMSA-N 2 0 364.490 0.754 20 0 FCADRP CC(=O)N1C[C@@H]2C[NH+](CCCC[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311662 1210527475 /nfs/dbraw/zinc/52/74/75/1210527475.db2.gz LJLRYLVTJSWRMY-FGYAAKKASA-N 2 0 362.518 0.587 20 0 FCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883331901 1210661978 /nfs/dbraw/zinc/66/19/78/1210661978.db2.gz JFNAMQNIVGBXBS-RCCFBDPRSA-N 2 0 366.506 0.792 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000883603709 1210673032 /nfs/dbraw/zinc/67/30/32/1210673032.db2.gz BMAZOOWBZIKPIH-WMZOPIPTSA-N 2 0 371.485 0.778 20 0 FCADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000883603657 1210673196 /nfs/dbraw/zinc/67/31/96/1210673196.db2.gz AMGZPMCYEDQIFO-SFHVURJKSA-N 2 0 371.485 0.731 20 0 FCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883605527 1210673712 /nfs/dbraw/zinc/67/37/12/1210673712.db2.gz WOHKAKHDUAHFAD-QAPCUYQASA-N 2 0 371.485 0.717 20 0 FCADRP C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883608728 1210674566 /nfs/dbraw/zinc/67/45/66/1210674566.db2.gz GEAQCPJIKIUBIV-VBQJREDUSA-N 2 0 359.474 0.761 20 0 FCADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883611513 1210675021 /nfs/dbraw/zinc/67/50/21/1210675021.db2.gz AJBNIYOPUTYXQC-YOEHRIQHSA-N 2 0 359.474 0.715 20 0 FCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123586 1225230224 /nfs/dbraw/zinc/23/02/24/1225230224.db2.gz AQMLWPULVXZJPD-HOCLYGCPSA-N 2 0 361.490 0.655 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000883638512 1210677069 /nfs/dbraw/zinc/67/70/69/1210677069.db2.gz OOVSDUBOKIPBAK-QQFBHYJXSA-N 2 0 359.474 0.847 20 0 FCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000883640752 1210677535 /nfs/dbraw/zinc/67/75/35/1210677535.db2.gz YAMNEASLOVKJBI-OAGGEKHMSA-N 2 0 359.474 0.562 20 0 FCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883639999 1210677666 /nfs/dbraw/zinc/67/76/66/1210677666.db2.gz DUJOWILQQODJRX-HZPDHXFCSA-N 2 0 359.474 0.577 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883641913 1210678164 /nfs/dbraw/zinc/67/81/64/1210678164.db2.gz ZHBPASLKALKFAZ-CLCXKQKWSA-N 2 0 357.458 0.459 20 0 FCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000883659707 1210682427 /nfs/dbraw/zinc/68/24/27/1210682427.db2.gz PYYURFQWVMNXFA-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CCO1 ZINC000883661021 1210683227 /nfs/dbraw/zinc/68/32/27/1210683227.db2.gz ZTMMRRUVSALRQI-MRXNPFEDSA-N 2 0 366.506 0.300 20 0 FCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883711489 1210685166 /nfs/dbraw/zinc/68/51/66/1210685166.db2.gz PPBVKKREALBPRE-IYBDPMFKSA-N 2 0 365.522 0.842 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000884273750 1210727915 /nfs/dbraw/zinc/72/79/15/1210727915.db2.gz XKESETTXKFVWAL-INIZCTEOSA-N 2 0 362.474 0.745 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884414609 1210733500 /nfs/dbraw/zinc/73/35/00/1210733500.db2.gz WVKSPAUSZLGCEB-QGZVFWFLSA-N 2 0 359.474 0.474 20 0 FCADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427121 1210734237 /nfs/dbraw/zinc/73/42/37/1210734237.db2.gz IHYKKWVZQRTQSG-NVXWUHKLSA-N 2 0 361.442 0.454 20 0 FCADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000884516619 1210742662 /nfs/dbraw/zinc/74/26/62/1210742662.db2.gz OQTICMCOFSEGGR-DOTOQJQBSA-N 2 0 366.506 0.476 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884517765 1210743039 /nfs/dbraw/zinc/74/30/39/1210743039.db2.gz WAVQNVVXFQJCBK-CALCHBBNSA-N 2 0 357.458 0.125 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000884518268 1210744000 /nfs/dbraw/zinc/74/40/00/1210744000.db2.gz KDVCWDHODNLKGV-IYBDPMFKSA-N 2 0 360.458 0.206 20 0 FCADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000884538619 1210746512 /nfs/dbraw/zinc/74/65/12/1210746512.db2.gz DISICECQYJSABP-ZDUSSCGKSA-N 2 0 372.460 0.871 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000884542970 1210747282 /nfs/dbraw/zinc/74/72/82/1210747282.db2.gz QUAZIKLSBCACKP-KRWDZBQOSA-N 2 0 365.522 0.001 20 0 FCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884557731 1210751104 /nfs/dbraw/zinc/75/11/04/1210751104.db2.gz XRPYSAKFQNOPAH-ROUUACIJSA-N 2 0 371.485 0.515 20 0 FCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)Cc2ccccc2C1 ZINC000884566401 1210752783 /nfs/dbraw/zinc/75/27/83/1210752783.db2.gz IZFDSAHJQAEUMS-ZWKOTPCHSA-N 2 0 370.497 0.555 20 0 FCADRP CC[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884576581 1210754073 /nfs/dbraw/zinc/75/40/73/1210754073.db2.gz KXRQEFFGBXKKEF-CEXWTWQISA-N 2 0 370.497 0.902 20 0 FCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000884577895 1210755966 /nfs/dbraw/zinc/75/59/66/1210755966.db2.gz ODFYXCGDPJVFOA-NXHRZFHOSA-N 2 0 358.486 0.993 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604992 1210760537 /nfs/dbraw/zinc/76/05/37/1210760537.db2.gz SRTBIZOBTLPTPT-NRSFXHEJSA-N 2 0 356.470 0.586 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000884608925 1210761887 /nfs/dbraw/zinc/76/18/87/1210761887.db2.gz ZMEQKLPYBSZKTP-OXFYSEKESA-N 2 0 358.486 0.963 20 0 FCADRP C[C@H](NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000884623682 1210764448 /nfs/dbraw/zinc/76/44/48/1210764448.db2.gz LOMJATZLMCUFSU-AWEZNQCLSA-N 2 0 356.470 0.715 20 0 FCADRP CCN(C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884632476 1210768482 /nfs/dbraw/zinc/76/84/82/1210768482.db2.gz NJEGZOFDZHPCIU-KRWDZBQOSA-N 2 0 359.474 0.625 20 0 FCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000884645957 1210772349 /nfs/dbraw/zinc/77/23/49/1210772349.db2.gz BDJZIARNHQXLGY-OWLYRPNTSA-N 2 0 356.470 0.728 20 0 FCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884656678 1210773097 /nfs/dbraw/zinc/77/30/97/1210773097.db2.gz PGNHTYPTYBWJGQ-IFXJQAMLSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCN(C)CC1 ZINC000884669974 1210776046 /nfs/dbraw/zinc/77/60/46/1210776046.db2.gz LVEQPDDKNUUJJN-INIZCTEOSA-N 2 0 367.538 0.106 20 0 FCADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000884672414 1210776752 /nfs/dbraw/zinc/77/67/52/1210776752.db2.gz SVCSHKWLTBUQTJ-UHFFFAOYSA-N 2 0 365.522 0.003 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000884675477 1210776797 /nfs/dbraw/zinc/77/67/97/1210776797.db2.gz FFKLVBVIWLWNIP-QGZVFWFLSA-N 2 0 362.474 0.038 20 0 FCADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000884675587 1210776859 /nfs/dbraw/zinc/77/68/59/1210776859.db2.gz IHUPMZQVRVBXOA-KRWDZBQOSA-N 2 0 362.474 0.038 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884691626 1210782080 /nfs/dbraw/zinc/78/20/80/1210782080.db2.gz MTJPOVXIKKXZIQ-ZIFCJYIRSA-N 2 0 372.513 0.987 20 0 FCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884704290 1210783897 /nfs/dbraw/zinc/78/38/97/1210783897.db2.gz ZSWHQNFQNRDJSJ-RIFZZMRRSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884706570 1210784398 /nfs/dbraw/zinc/78/43/98/1210784398.db2.gz HPUSGZKKWYRYPJ-FHLIZLRMSA-N 2 0 358.486 0.724 20 0 FCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884706573 1210784720 /nfs/dbraw/zinc/78/47/20/1210784720.db2.gz HPUSGZKKWYRYPJ-ZTFGCOKTSA-N 2 0 358.486 0.724 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884721463 1210788266 /nfs/dbraw/zinc/78/82/66/1210788266.db2.gz LFCNYCPSOJJXPU-KRWDZBQOSA-N 2 0 362.474 0.038 20 0 FCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884721464 1210788437 /nfs/dbraw/zinc/78/84/37/1210788437.db2.gz LFCNYCPSOJJXPU-QGZVFWFLSA-N 2 0 362.474 0.038 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000884721816 1210788590 /nfs/dbraw/zinc/78/85/90/1210788590.db2.gz VJYWAARQZJLSBP-UHFFFAOYSA-N 2 0 368.522 0.596 20 0 FCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884724657 1210789403 /nfs/dbraw/zinc/78/94/03/1210789403.db2.gz ZQKJUPWWRDIYIN-INIZCTEOSA-N 2 0 366.506 0.348 20 0 FCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000884727136 1210790522 /nfs/dbraw/zinc/79/05/22/1210790522.db2.gz MMDDFWZVFBBMEI-YESZJQIVSA-N 2 0 362.518 0.968 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725899 1210790623 /nfs/dbraw/zinc/79/06/23/1210790623.db2.gz BSCVXMUBBSHVGQ-MRXNPFEDSA-N 2 0 366.506 0.348 20 0 FCADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884741337 1210792268 /nfs/dbraw/zinc/79/22/68/1210792268.db2.gz MZFDUWAOBVVVRO-INIZCTEOSA-N 2 0 368.522 0.355 20 0 FCADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000884811406 1210797854 /nfs/dbraw/zinc/79/78/54/1210797854.db2.gz CQYQGJNMBZMDAN-UHFFFAOYSA-N 2 0 368.522 0.596 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824558 1210799484 /nfs/dbraw/zinc/79/94/84/1210799484.db2.gz ACEJUJOMNDMRCN-UOVPBQLFSA-N 2 0 358.486 0.737 20 0 FCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884833849 1210800250 /nfs/dbraw/zinc/80/02/50/1210800250.db2.gz PWHAAEHESGTPMZ-LMSBXDPUSA-N 2 0 358.486 0.819 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835497 1210800293 /nfs/dbraw/zinc/80/02/93/1210800293.db2.gz STOZATQGVJSHLZ-DOTOQJQBSA-N 2 0 358.486 0.820 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835241 1210800457 /nfs/dbraw/zinc/80/04/57/1210800457.db2.gz NMLKMHKNAXDGND-JZXOWHBKSA-N 2 0 358.486 0.691 20 0 FCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000884837834 1210800640 /nfs/dbraw/zinc/80/06/40/1210800640.db2.gz LLMVHAOCVIIHHD-WMZOPIPTSA-N 2 0 356.470 0.501 20 0 FCADRP [NH3+][C@@H](CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000884886012 1210802876 /nfs/dbraw/zinc/80/28/76/1210802876.db2.gz GGZGUFUTRMZHQR-ROUUACIJSA-N 2 0 358.486 0.759 20 0 FCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884911924 1210803856 /nfs/dbraw/zinc/80/38/56/1210803856.db2.gz WTBJOEXZVKFKMR-ULQDDVLXSA-N 2 0 368.522 0.579 20 0 FCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000884918518 1210803888 /nfs/dbraw/zinc/80/38/88/1210803888.db2.gz DHONYXONBBQCPV-ULQDDVLXSA-N 2 0 366.506 0.191 20 0 FCADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000884983467 1210806958 /nfs/dbraw/zinc/80/69/58/1210806958.db2.gz SHVVYRIVTKXBBA-YLJYHZDGSA-N 2 0 358.486 0.883 20 0 FCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000884983435 1210807186 /nfs/dbraw/zinc/80/71/86/1210807186.db2.gz RCXJSTDIBYQXCG-ZWKOTPCHSA-N 2 0 358.486 0.896 20 0 FCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140736 1210811734 /nfs/dbraw/zinc/81/17/34/1210811734.db2.gz XNPRBQRRDJPEBF-HOTGVXAUSA-N 2 0 366.506 0.109 20 0 FCADRP O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221153950 1225242377 /nfs/dbraw/zinc/24/23/77/1225242377.db2.gz VWLUDIQPPHPBSO-HNNXBMFYSA-N 2 0 372.473 0.492 20 0 FCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000885156132 1210813454 /nfs/dbraw/zinc/81/34/54/1210813454.db2.gz MPMCMDPOJZDOIQ-JLSDUUJJSA-N 2 0 358.486 0.758 20 0 FCADRP CN(C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000885162286 1210814131 /nfs/dbraw/zinc/81/41/31/1210814131.db2.gz KGPKPMJYEBYFAH-AEFFLSMTSA-N 2 0 356.470 0.512 20 0 FCADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000885286479 1210817430 /nfs/dbraw/zinc/81/74/30/1210817430.db2.gz WPNGQRSFIDPKMN-CQSZACIVSA-N 2 0 372.460 0.824 20 0 FCADRP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCOC1 ZINC000886904126 1210839706 /nfs/dbraw/zinc/83/97/06/1210839706.db2.gz PFBQHFSKDPZXLX-KSZLIROESA-N 2 0 371.522 0.491 20 0 FCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001691719522 1210843248 /nfs/dbraw/zinc/84/32/48/1210843248.db2.gz HAFMWGOHTWAFCY-NJAFHUGGSA-N 2 0 355.523 0.941 20 0 FCADRP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887070349 1210845659 /nfs/dbraw/zinc/84/56/59/1210845659.db2.gz KPMWSSBDSTZERO-IPMKNSEASA-N 2 0 370.497 0.930 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000887091510 1210847014 /nfs/dbraw/zinc/84/70/14/1210847014.db2.gz MONXVZJWDASKPS-DNVCBOLYSA-N 2 0 357.458 0.473 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000887091214 1210847165 /nfs/dbraw/zinc/84/71/65/1210847165.db2.gz DLBQLKZVDVVHHY-CVEARBPZSA-N 2 0 359.474 0.706 20 0 FCADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)CC1 ZINC000887442308 1210857952 /nfs/dbraw/zinc/85/79/52/1210857952.db2.gz BCEQGIINOFUFQF-OAHLLOKOSA-N 2 0 363.510 0.190 20 0 FCADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)O1 ZINC001274162626 1210900909 /nfs/dbraw/zinc/90/09/09/1210900909.db2.gz UOMSSDYCHRGLHH-HOTGVXAUSA-N 2 0 368.522 0.497 20 0 FCADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274204149 1210912474 /nfs/dbraw/zinc/91/24/74/1210912474.db2.gz SBHUXPOIOSSEFH-CALCHBBNSA-N 2 0 369.506 0.234 20 0 FCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890142623 1210969400 /nfs/dbraw/zinc/96/94/00/1210969400.db2.gz CWQZDDVWJMPSFL-GOSISDBHSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719196 1210985211 /nfs/dbraw/zinc/98/52/11/1210985211.db2.gz SUDIZUUHEALMSC-AWEZNQCLSA-N 2 0 374.489 0.753 20 0 FCADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274909357 1211142602 /nfs/dbraw/zinc/14/26/02/1211142602.db2.gz XNVDRVCTFLNJLX-MHORFTMASA-N 2 0 361.490 0.119 20 0 FCADRP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221202417 1225267421 /nfs/dbraw/zinc/26/74/21/1225267421.db2.gz ZVWWCMLGNFDXJL-WMZOPIPTSA-N 2 0 374.460 0.851 20 0 FCADRP O=C1CC[C@@H](C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)N1 ZINC001275149277 1211181335 /nfs/dbraw/zinc/18/13/35/1211181335.db2.gz WCMQIBPZHCMLMP-KBXCAEBGSA-N 2 0 359.430 0.003 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172604 1211188997 /nfs/dbraw/zinc/18/89/97/1211188997.db2.gz ZWPFSMMYMWEVDB-PKOBYXMFSA-N 2 0 360.506 0.470 20 0 FCADRP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)CC2)C1 ZINC001275177637 1211190008 /nfs/dbraw/zinc/19/00/08/1211190008.db2.gz QDRVELANUZNEIB-SFHVURJKSA-N 2 0 365.566 0.498 20 0 FCADRP Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178080 1211190694 /nfs/dbraw/zinc/19/06/94/1211190694.db2.gz USEUMGSRNVKAMO-CGTJXYLNSA-N 2 0 360.506 0.007 20 0 FCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001275178262 1211190762 /nfs/dbraw/zinc/19/07/62/1211190762.db2.gz WDWFPONWKXAZTD-KRWDZBQOSA-N 2 0 360.506 0.053 20 0 FCADRP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[NH+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178539 1211191081 /nfs/dbraw/zinc/19/10/81/1211191081.db2.gz XTBCHHDWYVCJGB-KRWDZBQOSA-N 2 0 360.506 0.009 20 0 FCADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372418 1211225212 /nfs/dbraw/zinc/22/52/12/1211225212.db2.gz CFTKPCBUNLRGGB-LJQANCHMSA-N 2 0 361.490 0.737 20 0 FCADRP CN(C)C(=O)CCN1CCC2(CC[NH+](Cc3cnccc3N)CC2)C1=O ZINC001275455175 1211241194 /nfs/dbraw/zinc/24/11/94/1211241194.db2.gz GKGRTLVHJGSEND-UHFFFAOYSA-N 2 0 359.474 0.787 20 0 FCADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275511675 1211252502 /nfs/dbraw/zinc/25/25/02/1211252502.db2.gz MJONCAQVNCKBLN-QZTJIDSGSA-N 2 0 366.550 0.972 20 0 FCADRP C[NH+](C)CC(C)(C)CN1CC[C@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510897 1211253028 /nfs/dbraw/zinc/25/30/28/1211253028.db2.gz BDSOBQUQPMSWNN-BEFAXECRSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCN1CCC2(CC[NH+](CC(C)(C)N3CCOCC3)CC2)C1=O ZINC001275514843 1211253404 /nfs/dbraw/zinc/25/34/04/1211253404.db2.gz FFLYGDWYUJQSLZ-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP C[NH+]1CCC(C[NH+]2CCC3(CCN(C[C@@H]4CCC(=O)N4)C3=O)CC2)CC1 ZINC001275556714 1211256392 /nfs/dbraw/zinc/25/63/92/1211256392.db2.gz OPMKOYGMUPYPCL-KRWDZBQOSA-N 2 0 362.518 0.921 20 0 FCADRP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556009 1211256513 /nfs/dbraw/zinc/25/65/13/1211256513.db2.gz GLMSRAUYAITNSY-KXBFYZLASA-N 2 0 364.490 0.433 20 0 FCADRP COC[C@@H](NC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)C(=O)OC ZINC001275738255 1211279121 /nfs/dbraw/zinc/27/91/21/1211279121.db2.gz WQXCOFWPKZRRFD-HZPDHXFCSA-N 2 0 367.490 0.392 20 0 FCADRP O=C1C[C@]2(CN1CCN1CCOCC1)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001275738091 1211279366 /nfs/dbraw/zinc/27/93/66/1211279366.db2.gz UOLRNLIZVOVQPQ-FQEVSTJZSA-N 2 0 364.534 0.775 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833724 1211293715 /nfs/dbraw/zinc/29/37/15/1211293715.db2.gz OXAAOOKAJXMKHI-HXUWFJFHSA-N 3 0 366.550 0.831 20 0 FCADRP Cn1cnnc1CN1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833459 1211293770 /nfs/dbraw/zinc/29/37/70/1211293770.db2.gz HYOSOYFAGSOKAM-LJQANCHMSA-N 2 0 360.506 0.971 20 0 FCADRP CN(C)C(=O)CCN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833839 1211293941 /nfs/dbraw/zinc/29/39/41/1211293941.db2.gz RNYBAFHTGICGDX-UHFFFAOYSA-N 2 0 366.506 0.110 20 0 FCADRP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878594 1211303048 /nfs/dbraw/zinc/30/30/48/1211303048.db2.gz LTHTVXUSLCHNDC-GPMSIDNRSA-N 2 0 367.490 0.441 20 0 FCADRP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877714 1211303880 /nfs/dbraw/zinc/30/38/80/1211303880.db2.gz FPEGFBBMFKTDJA-FRQCXROJSA-N 2 0 367.490 0.441 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN(COCCOC)C(=O)CO3)CC1 ZINC001275881269 1211305533 /nfs/dbraw/zinc/30/55/33/1211305533.db2.gz YQORPRYLIZNRDN-LJQANCHMSA-N 2 0 369.506 0.642 20 0 FCADRP Cn1cncc1CN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879223 1211306124 /nfs/dbraw/zinc/30/61/24/1211306124.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 2 0 361.490 0.565 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)CC1 ZINC001095430219 1211334447 /nfs/dbraw/zinc/33/44/47/1211334447.db2.gz LATABYDZNAZUAW-GFEQUFNTSA-N 2 0 365.518 0.837 20 0 FCADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCOC2)n1 ZINC001095433139 1211335416 /nfs/dbraw/zinc/33/54/16/1211335416.db2.gz ZICXCOHLKXBCQN-LMSBXDPUSA-N 2 0 361.490 0.816 20 0 FCADRP CC(C)[C@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)[NH+](C)C ZINC001276048456 1211339491 /nfs/dbraw/zinc/33/94/91/1211339491.db2.gz CXJNIHJCEUVJAG-IAGOWNOFSA-N 2 0 364.534 0.974 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001095437920 1211341425 /nfs/dbraw/zinc/34/14/25/1211341425.db2.gz OLDIHTKKGIRTSK-SUJAAXHWSA-N 2 0 362.474 0.197 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C3)CC1 ZINC001276057294 1211342481 /nfs/dbraw/zinc/34/24/81/1211342481.db2.gz NQXMVGXXAKPNLL-HYVNUMGLSA-N 2 0 362.518 0.728 20 0 FCADRP CNc1nccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276057587 1211343549 /nfs/dbraw/zinc/34/35/49/1211343549.db2.gz XLBOVEUYNQNCKD-GOSISDBHSA-N 2 0 360.462 0.421 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4nccn4c3)C2)OCC1=O ZINC001276233542 1211385862 /nfs/dbraw/zinc/38/58/62/1211385862.db2.gz LKBAYCGGJXRFCS-IBGZPJMESA-N 2 0 357.458 0.699 20 0 FCADRP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001095662613 1211439198 /nfs/dbraw/zinc/43/91/98/1211439198.db2.gz JGJLROHYQRNNKM-ISWURRPUSA-N 2 0 353.426 0.866 20 0 FCADRP C[NH+](C)C[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924567491 1211474318 /nfs/dbraw/zinc/47/43/18/1211474318.db2.gz OGXNDKROLQXIHK-INIZCTEOSA-N 3 0 360.462 0.076 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000924584565 1211474778 /nfs/dbraw/zinc/47/47/78/1211474778.db2.gz GSGDYLHXIRWSMB-QGZVFWFLSA-N 2 0 360.458 0.625 20 0 FCADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000924670728 1211476838 /nfs/dbraw/zinc/47/68/38/1211476838.db2.gz HZCJWGBFGMXBMM-DOTOQJQBSA-N 2 0 364.490 0.894 20 0 FCADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777555 1211480440 /nfs/dbraw/zinc/48/04/40/1211480440.db2.gz QLUCUVCFYZMIBK-DLBZAZTESA-N 2 0 360.458 0.760 20 0 FCADRP O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924878619 1211483729 /nfs/dbraw/zinc/48/37/29/1211483729.db2.gz YEGXFLHKPRQJQT-SFHVURJKSA-N 2 0 373.501 0.479 20 0 FCADRP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000925398680 1211498705 /nfs/dbraw/zinc/49/87/05/1211498705.db2.gz HDJCFXQIFQFWBW-KRWDZBQOSA-N 2 0 365.522 0.714 20 0 FCADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925936099 1211510093 /nfs/dbraw/zinc/51/00/93/1211510093.db2.gz JFKCWGCSHIRDKO-JQHSSLGASA-N 2 0 360.502 0.922 20 0 FCADRP COCCn1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000926003064 1211512629 /nfs/dbraw/zinc/51/26/29/1211512629.db2.gz JGRFDQHWXZLPAD-IYBDPMFKSA-N 2 0 362.478 0.962 20 0 FCADRP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000926127127 1211516844 /nfs/dbraw/zinc/51/68/44/1211516844.db2.gz TUNTXPDJVKUFMF-QZTJIDSGSA-N 2 0 359.470 0.638 20 0 FCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926322562 1211530453 /nfs/dbraw/zinc/53/04/53/1211530453.db2.gz VMMGFMHOEYZAFI-OAHLLOKOSA-N 2 0 364.465 0.913 20 0 FCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926397593 1211545665 /nfs/dbraw/zinc/54/56/65/1211545665.db2.gz MJJOMGYNHQEHLZ-OWCLPIDISA-N 2 0 357.458 0.187 20 0 FCADRP COc1ccccc1[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337313 1225299982 /nfs/dbraw/zinc/29/99/82/1225299982.db2.gz PQRHKZISQLBYDP-CVEARBPZSA-N 2 0 359.430 0.919 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956684 1211614872 /nfs/dbraw/zinc/61/48/72/1211614872.db2.gz UUQZBSVKDZOZDO-VQHPVUNQSA-N 2 0 369.506 0.074 20 0 FCADRP NC1=CC=C(C2CCN(C(=O)[C@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)[NH2+]C1 ZINC001221391122 1225305557 /nfs/dbraw/zinc/30/55/57/1225305557.db2.gz AVSSZSXJCGOCLB-PKOBYXMFSA-N 2 0 359.518 0.771 20 0 FCADRP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001221404901 1225307571 /nfs/dbraw/zinc/30/75/71/1225307571.db2.gz MEFOWNUBOBYXCL-UZLBHIALSA-N 2 0 358.486 0.285 20 0 FCADRP Cn1cnc2cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000931618447 1211764680 /nfs/dbraw/zinc/76/46/80/1211764680.db2.gz XXYHVEINRWPCDX-UHFFFAOYSA-N 2 0 374.489 0.141 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001111035477 1211813598 /nfs/dbraw/zinc/81/35/98/1211813598.db2.gz CALARJFQOZLNFT-BDXSIMOUSA-N 2 0 373.501 0.760 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc4c(c3)nnn4C)C2)CC[N@@H+]1C ZINC000968724275 1212099633 /nfs/dbraw/zinc/09/96/33/1212099633.db2.gz DQMIODRSLALZIM-FVQBIDKESA-N 2 0 356.474 0.999 20 0 FCADRP CCn1nnc(C)c1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277244 1212203438 /nfs/dbraw/zinc/20/34/38/1212203438.db2.gz IBAGATGKRZLOCX-OAGGEKHMSA-N 2 0 364.494 0.406 20 0 FCADRP CCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281484 1212233006 /nfs/dbraw/zinc/23/30/06/1212233006.db2.gz UVLDGFFLIRSKIL-HZMVEIRTSA-N 2 0 368.522 0.591 20 0 FCADRP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098989 1212290854 /nfs/dbraw/zinc/29/08/54/1212290854.db2.gz QCLIKBLLTALAEB-BZUAXINKSA-N 2 0 366.506 0.284 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000949184656 1212316374 /nfs/dbraw/zinc/31/63/74/1212316374.db2.gz PNBJFAJTNXMDSL-IJEWVQPXSA-N 2 0 359.474 0.676 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949219366 1212329371 /nfs/dbraw/zinc/32/93/71/1212329371.db2.gz OVIKOSMERDKFIN-IXDOHACOSA-N 2 0 366.506 0.014 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949838921 1212470004 /nfs/dbraw/zinc/47/00/04/1212470004.db2.gz VUSBNCUWFCFSRN-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC000950243926 1212540210 /nfs/dbraw/zinc/54/02/10/1212540210.db2.gz PSKYCHUGNLIURJ-IXDOHACOSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000951421626 1212825539 /nfs/dbraw/zinc/82/55/39/1212825539.db2.gz TWDKCAJUDPPHJH-RBSFLKMASA-N 2 0 357.458 0.716 20 0 FCADRP Cc1cncn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000952407719 1212947633 /nfs/dbraw/zinc/94/76/33/1212947633.db2.gz LWWCPHGPCMQDRV-XOKHGSTOSA-N 2 0 359.474 0.496 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001007191446 1213040045 /nfs/dbraw/zinc/04/00/45/1213040045.db2.gz ZANUKHHQHANPME-QKLQHJQFSA-N 2 0 362.518 0.920 20 0 FCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638049767 1213047791 /nfs/dbraw/zinc/04/77/91/1213047791.db2.gz ZXJNIQBNBHCJOM-UHFFFAOYSA-N 2 0 361.490 0.602 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000954356727 1213058632 /nfs/dbraw/zinc/05/86/32/1213058632.db2.gz JGAXHOFURKZQLH-RCCFBDPRSA-N 2 0 362.518 0.728 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659864 1225423017 /nfs/dbraw/zinc/42/30/17/1225423017.db2.gz ZZTNYERUIWQNFL-KBAYOESNSA-N 2 0 362.474 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CCc3nccn3C)C2)CC[N@@H+]1C ZINC000957012587 1213230428 /nfs/dbraw/zinc/23/04/28/1213230428.db2.gz KTBWGDKAASBNCZ-SPYBWZPUSA-N 2 0 361.490 0.800 20 0 FCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000957083179 1213247385 /nfs/dbraw/zinc/24/73/85/1213247385.db2.gz MCICKYGDMDNLDM-MDZRGWNJSA-N 2 0 360.502 0.531 20 0 FCADRP COCOCCC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276310633 1213384919 /nfs/dbraw/zinc/38/49/19/1213384919.db2.gz AAIWUUNVLBKCAX-SFHVURJKSA-N 2 0 364.446 0.735 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408044 1213744535 /nfs/dbraw/zinc/74/45/35/1213744535.db2.gz DUTTXOJRBGLABU-YESZJQIVSA-N 2 0 364.490 0.005 20 0 FCADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960572306 1213825013 /nfs/dbraw/zinc/82/50/13/1213825013.db2.gz IFJSPVHMZAQLIZ-LTIDMASMSA-N 2 0 366.506 0.249 20 0 FCADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001221791253 1225482793 /nfs/dbraw/zinc/48/27/93/1225482793.db2.gz DBUHVRAWQIORDI-ZHALLVOQSA-N 2 0 361.486 0.911 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC[N@@H+]1C ZINC001011209153 1213849744 /nfs/dbraw/zinc/84/97/44/1213849744.db2.gz KGHQZDZVRIJFNW-IAGOWNOFSA-N 2 0 362.518 0.873 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@@H+]1C ZINC001014002785 1213917305 /nfs/dbraw/zinc/91/73/05/1213917305.db2.gz HWWUDEDFXJFXMX-MZGCBASJSA-N 2 0 362.518 0.822 20 0 FCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000419212515 1214074777 /nfs/dbraw/zinc/07/47/77/1214074777.db2.gz KKOKHMWPPPKTCC-HXUWFJFHSA-N 2 0 374.485 0.598 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001017464208 1214098096 /nfs/dbraw/zinc/09/80/96/1214098096.db2.gz GELSHGDQIKUJHB-FGTMMUONSA-N 2 0 362.518 0.943 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2([NH+](C)C)CCC2)C3)CC[N@@H+]1C ZINC001019070459 1214190260 /nfs/dbraw/zinc/19/02/60/1214190260.db2.gz OPAVSFUJOKWHFH-HZPDHXFCSA-N 2 0 362.518 0.872 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@@H+]1C ZINC000961598298 1214238288 /nfs/dbraw/zinc/23/82/88/1214238288.db2.gz FZXYLUUEOUISJE-DFBDCSAJSA-N 2 0 362.518 0.585 20 0 FCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871009 1225515499 /nfs/dbraw/zinc/51/54/99/1225515499.db2.gz RPGJZUINHQVJOY-GUDVDZBRSA-N 2 0 361.486 0.902 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000961856746 1214336888 /nfs/dbraw/zinc/33/68/88/1214336888.db2.gz MOXFGNNDKFCTLR-SSHXOBKSSA-N 2 0 366.485 0.962 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858794 1214448366 /nfs/dbraw/zinc/44/83/66/1214448366.db2.gz UIOXOICRDSMKNK-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040446573 1214509672 /nfs/dbraw/zinc/50/96/72/1214509672.db2.gz KXRUJBAUTVOKHZ-GPMSIDNRSA-N 2 0 368.522 0.138 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC001040705135 1214569570 /nfs/dbraw/zinc/56/95/70/1214569570.db2.gz DFMKVWVWUHCIAM-GVDBMIGSSA-N 2 0 362.518 0.920 20 0 FCADRP O=C(N1C[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221950178 1225548710 /nfs/dbraw/zinc/54/87/10/1225548710.db2.gz WOVMCIRXRQGRNV-KZNAEPCWSA-N 2 0 363.502 0.811 20 0 FCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000963067527 1214723930 /nfs/dbraw/zinc/72/39/30/1214723930.db2.gz HJDVTJQUWNMUDK-ZACQAIPSSA-N 2 0 366.506 0.031 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC000963830149 1214860517 /nfs/dbraw/zinc/86/05/17/1214860517.db2.gz KVJDDKYGNXALLW-ZYPLZAJRSA-N 2 0 362.474 0.149 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)C[NH+]2CCCC2)CC3)CC[N@@H+]1C ZINC000963923426 1214875462 /nfs/dbraw/zinc/87/54/62/1214875462.db2.gz CVSJNMDDYKHXOA-ZACQAIPSSA-N 2 0 362.518 0.920 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000965044643 1215018436 /nfs/dbraw/zinc/01/84/36/1215018436.db2.gz MJNWSPRRYGBPAT-BRWVUGGUSA-N 2 0 362.518 0.920 20 0 FCADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442833 1225624379 /nfs/dbraw/zinc/62/43/79/1225624379.db2.gz NXCAISFOWMRSFB-SQNIBIBYSA-N 2 0 366.506 0.156 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001055652820 1215900776 /nfs/dbraw/zinc/90/07/76/1215900776.db2.gz OPSGYYYXNIHNRD-ZACQAIPSSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CC34CC4)CC2)CC[N@@H+]1C ZINC001055653932 1215901080 /nfs/dbraw/zinc/90/10/80/1215901080.db2.gz AYYDACCEBFNLRN-DJIMGWMZSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)CC[N@@H+]1C ZINC001000203576 1216022079 /nfs/dbraw/zinc/02/20/79/1216022079.db2.gz HTCICFHTVCZUID-RDTXWAMCSA-N 2 0 362.518 0.776 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693789 1225646024 /nfs/dbraw/zinc/64/60/24/1225646024.db2.gz ADQMYSKFBIMQIN-KURKYZTESA-N 2 0 362.518 0.776 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2=CC[N@H+](CCCO)CC2)CC1 ZINC001000694314 1216106805 /nfs/dbraw/zinc/10/68/05/1216106805.db2.gz YGFXUZZKDDTZBT-MOPGFXCFSA-N 2 0 365.518 0.864 20 0 FCADRP CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891588 1225663316 /nfs/dbraw/zinc/66/33/16/1225663316.db2.gz FLOSUHVOVNZGEK-PMPSAXMXSA-N 2 0 359.474 0.819 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976978 1225671093 /nfs/dbraw/zinc/67/10/93/1225671093.db2.gz ZYGRMUBCSQKWCK-NXHRZFHOSA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001051620653 1216466374 /nfs/dbraw/zinc/46/63/74/1216466374.db2.gz UFOAXJHQFVUUTH-QRVBRYPASA-N 2 0 365.518 0.960 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001057741789 1216532545 /nfs/dbraw/zinc/53/25/45/1216532545.db2.gz ZKQWBDCBXHESGJ-IAGOWNOFSA-N 2 0 368.522 0.140 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001052393783 1216546485 /nfs/dbraw/zinc/54/64/85/1216546485.db2.gz QMQAWAFPIHADNV-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001057903393 1216602593 /nfs/dbraw/zinc/60/25/93/1216602593.db2.gz HUGHEDFHVQRRIC-DLBZAZTESA-N 2 0 368.522 0.138 20 0 FCADRP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150519 1225683541 /nfs/dbraw/zinc/68/35/41/1225683541.db2.gz BCRQTXVJFXBUMC-PBIMCDDKSA-N 2 0 363.502 0.809 20 0 FCADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969478 1216875936 /nfs/dbraw/zinc/87/59/36/1216875936.db2.gz XXWPFQGMKHKRDA-XHSDSOJGSA-N 2 0 364.469 0.996 20 0 FCADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069980012 1216881786 /nfs/dbraw/zinc/88/17/86/1216881786.db2.gz XPRCXIYKTCSGJF-XYPHTWIQSA-N 2 0 369.429 0.616 20 0 FCADRP CCOC(=O)CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276888726 1225705044 /nfs/dbraw/zinc/70/50/44/1225705044.db2.gz HTTUYWHJZOEULH-IBGZPJMESA-N 2 0 369.506 0.832 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@@H+]1C ZINC001041299824 1217272908 /nfs/dbraw/zinc/27/29/08/1217272908.db2.gz FLVWCWGGZUVSLV-QKLQHJQFSA-N 2 0 362.518 0.873 20 0 FCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223726536 1225730433 /nfs/dbraw/zinc/73/04/33/1225730433.db2.gz IKCPNYKTIKRCJU-MSOLQXFVSA-N 2 0 368.522 0.404 20 0 FCADRP CCc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC001041326409 1217282380 /nfs/dbraw/zinc/28/23/80/1217282380.db2.gz YWNUVKSWMBTRJO-HUUCEWRRSA-N 2 0 361.490 0.745 20 0 FCADRP COC(=O)c1ccnc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001276922409 1225737992 /nfs/dbraw/zinc/73/79/92/1225737992.db2.gz BCVPSWZCLHNOCR-LJQANCHMSA-N 2 0 360.458 0.854 20 0 FCADRP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912482 1225744838 /nfs/dbraw/zinc/74/48/38/1225744838.db2.gz WAUBPSGERMOIMF-CVEARBPZSA-N 2 0 362.518 0.920 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223917115 1225746679 /nfs/dbraw/zinc/74/66/79/1225746679.db2.gz ZGODLYZDNKUNJP-SJORKVTESA-N 2 0 368.522 0.354 20 0 FCADRP Cc1nccn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C(C)C)[C@H]2C1 ZINC001224140282 1225759736 /nfs/dbraw/zinc/75/97/36/1225759736.db2.gz LJXNCSCIPVAPKM-SJORKVTESA-N 2 0 361.490 0.981 20 0 FCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3C)C[C@@H]21 ZINC001224140219 1225759860 /nfs/dbraw/zinc/75/98/60/1225759860.db2.gz HPGMNACQMDDTSI-SJORKVTESA-N 2 0 361.490 0.983 20 0 FCADRP C[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCCN3CC[NH+](C)CC3)C2)CC1 ZINC001276960097 1225770062 /nfs/dbraw/zinc/77/00/62/1225770062.db2.gz OQNGKMHEADMAOK-SFHVURJKSA-N 2 0 366.550 0.709 20 0 FCADRP C[C@H](CO)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276974056 1225780872 /nfs/dbraw/zinc/78/08/72/1225780872.db2.gz LZGCHTRCLKPMKS-ZWKOTPCHSA-N 2 0 366.550 0.471 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC000900480563 1217995583 /nfs/dbraw/zinc/99/55/83/1217995583.db2.gz HYVFTMMEUMHKSF-KRWDZBQOSA-N 3 0 364.538 0.933 20 0 FCADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602735 1218011456 /nfs/dbraw/zinc/01/14/56/1218011456.db2.gz RUEPLBLPTATHJL-MOPGFXCFSA-N 2 0 366.550 0.850 20 0 FCADRP Cc1c[nH]c(=O)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277012142 1225799298 /nfs/dbraw/zinc/79/92/98/1225799298.db2.gz RPEXYODHKJUYRA-LJQANCHMSA-N 2 0 362.474 0.708 20 0 FCADRP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1=O ZINC001096354662 1218262158 /nfs/dbraw/zinc/26/21/58/1218262158.db2.gz NVFNYOVBKGFCOE-IKGGRYGDSA-N 2 0 356.470 0.703 20 0 FCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccc(=O)[nH]n1 ZINC001225367478 1225808716 /nfs/dbraw/zinc/80/87/16/1225808716.db2.gz AUUHOXZZHMNYOH-UHFFFAOYSA-N 2 0 371.445 0.589 20 0 FCADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075376 1218378094 /nfs/dbraw/zinc/37/80/94/1218378094.db2.gz OSXURKXUSGWBDN-HCXYKTFWSA-N 2 0 370.497 0.468 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C[C@@H]1O ZINC001049150392 1218389756 /nfs/dbraw/zinc/38/97/56/1218389756.db2.gz XHDPENHYONIAFG-YVSFHVDLSA-N 2 0 368.522 0.089 20 0 FCADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903755352 1218516219 /nfs/dbraw/zinc/51/62/19/1218516219.db2.gz FYMCTJPFHXHAIM-MRXNPFEDSA-N 2 0 367.490 0.536 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756284 1218516324 /nfs/dbraw/zinc/51/63/24/1218516324.db2.gz PTIZHXSUVUHZRW-HZPDHXFCSA-N 2 0 371.489 0.794 20 0 FCADRP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757606 1218516360 /nfs/dbraw/zinc/51/63/60/1218516360.db2.gz DVSUAIRUQHHLQW-LSDHHAIUSA-N 2 0 363.462 0.860 20 0 FCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001225846175 1225826299 /nfs/dbraw/zinc/82/62/99/1225826299.db2.gz DRXOEJOHUFOMMW-HMQMGEFJSA-N 2 0 365.522 0.854 20 0 FCADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(CCc2cnccn2)CC1 ZINC000903937866 1218568643 /nfs/dbraw/zinc/56/86/43/1218568643.db2.gz SWZXQOQDRKGLCJ-KRWDZBQOSA-N 2 0 356.478 0.353 20 0 FCADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCNC1=O ZINC001096608797 1218576659 /nfs/dbraw/zinc/57/66/59/1218576659.db2.gz FTAYXIBTEZWQPO-UBDQQSCGSA-N 2 0 356.470 0.972 20 0 FCADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001097778897 1218845346 /nfs/dbraw/zinc/84/53/46/1218845346.db2.gz ABBWKILFCOVZKW-XDNAFOTISA-N 2 0 361.490 0.307 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@@H+]1C ZINC001054134633 1218899142 /nfs/dbraw/zinc/89/91/42/1218899142.db2.gz JIMHYKISHAWYLV-LMMKCTJWSA-N 2 0 360.506 0.933 20 0 FCADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226765794 1225853973 /nfs/dbraw/zinc/85/39/73/1225853973.db2.gz FPUCFMBDNHPTJG-BFHYXJOUSA-N 2 0 367.494 0.332 20 0 FCADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226793183 1225854467 /nfs/dbraw/zinc/85/44/67/1225854467.db2.gz ZRUWLIQXMQAXQT-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226790857 1225854682 /nfs/dbraw/zinc/85/46/82/1225854682.db2.gz GKZIZDZGVZBEQV-GVDBMIGSSA-N 2 0 371.522 0.512 20 0 FCADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226824451 1225855211 /nfs/dbraw/zinc/85/52/11/1225855211.db2.gz NSPSCTJGPQFLAK-HUUCEWRRSA-N 2 0 367.494 0.333 20 0 FCADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1)C1CCC1 ZINC001226818295 1225855315 /nfs/dbraw/zinc/85/53/15/1225855315.db2.gz MFBFCKSERRVQII-RCCFBDPRSA-N 2 0 363.506 0.745 20 0 FCADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CC1 ZINC001097975886 1219000457 /nfs/dbraw/zinc/00/04/57/1219000457.db2.gz IDLPUICIOYDNNI-ZACQAIPSSA-N 2 0 363.506 0.465 20 0 FCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001227065856 1225863020 /nfs/dbraw/zinc/86/30/20/1225863020.db2.gz OYRXQYYEOLESHY-IAGOWNOFSA-N 2 0 371.522 0.371 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001055583548 1219087990 /nfs/dbraw/zinc/08/79/90/1219087990.db2.gz RVHYPANIFWEKCL-DJIMGWMZSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccco3)CC2)CC[N@@H+]1C ZINC001055583710 1219088149 /nfs/dbraw/zinc/08/81/49/1219088149.db2.gz ZNZOTYWFTVFYEO-GDBMZVCRSA-N 2 0 362.474 0.930 20 0 FCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000804053039 1219105736 /nfs/dbraw/zinc/10/57/36/1219105736.db2.gz IDFISEXNXPTOOC-IKGGRYGDSA-N 2 0 366.506 0.204 20 0 FCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804055942 1219109937 /nfs/dbraw/zinc/10/99/37/1219109937.db2.gz PTHGOYWYVLQNDW-IAGOWNOFSA-N 2 0 366.506 0.299 20 0 FCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000804058932 1219112187 /nfs/dbraw/zinc/11/21/87/1219112187.db2.gz GYWYMNXUQWIJDH-IKGGRYGDSA-N 2 0 366.506 0.347 20 0 FCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804058224 1219113156 /nfs/dbraw/zinc/11/31/56/1219113156.db2.gz UFZSGOUXSCWJJU-DLBZAZTESA-N 2 0 368.522 0.546 20 0 FCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000804062741 1219118335 /nfs/dbraw/zinc/11/83/35/1219118335.db2.gz KNKZNQQQCNCRAN-OAGGEKHMSA-N 2 0 368.522 0.448 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)COCCOC)CC2)CC[N@@H+]1C ZINC001227454819 1225875702 /nfs/dbraw/zinc/87/57/02/1225875702.db2.gz VKVQJFSOZHHVCU-FGTMMUONSA-N 2 0 371.522 0.321 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070144117 1219223987 /nfs/dbraw/zinc/22/39/87/1219223987.db2.gz RYNSDEFZQZKWPW-HZPDHXFCSA-N 2 0 368.522 0.448 20 0 FCADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)c1 ZINC001070158322 1219244944 /nfs/dbraw/zinc/24/49/44/1219244944.db2.gz FXEBAPMIAFFYBK-SQNIBIBYSA-N 2 0 369.473 0.617 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070158596 1219246414 /nfs/dbraw/zinc/24/64/14/1219246414.db2.gz RFSQOTNIKONGDD-IKGGRYGDSA-N 2 0 362.478 0.140 20 0 FCADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070309215 1219367021 /nfs/dbraw/zinc/36/70/21/1219367021.db2.gz WKRMOBQYJCOCQM-ZACQAIPSSA-N 2 0 364.494 0.267 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070328273 1219378813 /nfs/dbraw/zinc/37/88/13/1219378813.db2.gz UJGYACQNIHCOAV-MOPGFXCFSA-N 2 0 368.485 0.958 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070328239 1219379274 /nfs/dbraw/zinc/37/92/74/1219379274.db2.gz RTCFWTCDGHCKHM-CABCVRRESA-N 2 0 368.432 0.761 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)[nH]2)C1 ZINC001070357446 1219395520 /nfs/dbraw/zinc/39/55/20/1219395520.db2.gz NYFYUQOFABNQAU-KKUMJFAQSA-N 2 0 362.478 0.245 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070542948 1219460554 /nfs/dbraw/zinc/46/05/54/1219460554.db2.gz CBSUSQAFUROEBR-CGTJXYLNSA-N 2 0 363.506 0.559 20 0 FCADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n2)O1 ZINC001070574353 1219476313 /nfs/dbraw/zinc/47/63/13/1219476313.db2.gz JKGKGBAYQWYHLP-BYNSBNAKSA-N 2 0 364.494 0.981 20 0 FCADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070629704 1219494202 /nfs/dbraw/zinc/49/42/02/1219494202.db2.gz RWSUKENUPIUKBT-KZNAEPCWSA-N 2 0 368.485 0.994 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688677 1219526043 /nfs/dbraw/zinc/52/60/43/1219526043.db2.gz RRSFFXVHBHYNMS-ARFHVFGLSA-N 2 0 363.506 0.417 20 0 FCADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070718029 1219540283 /nfs/dbraw/zinc/54/02/83/1219540283.db2.gz JKQRYRRNWBYTAA-GVDBMIGSSA-N 2 0 363.506 0.681 20 0 FCADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228207409 1225900438 /nfs/dbraw/zinc/90/04/38/1225900438.db2.gz SNKNAKIPIHTTKX-CHWSQXEVSA-N 2 0 365.434 0.167 20 0 FCADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001071068414 1219599644 /nfs/dbraw/zinc/59/96/44/1219599644.db2.gz CMLOAOQOCYJTAW-JQHSSLGASA-N 2 0 365.518 0.981 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001071082748 1219602704 /nfs/dbraw/zinc/60/27/04/1219602704.db2.gz MIXVUDKVQXUJBB-XKQJLSEDSA-N 2 0 366.506 0.188 20 0 FCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071106616 1219608272 /nfs/dbraw/zinc/60/82/72/1219608272.db2.gz MBGWPAZSDDXCRT-RYRKJORJSA-N 2 0 366.506 0.332 20 0 FCADRP O=C(NCCn1ccnc1)[C@@H]1CC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277284862 1225903426 /nfs/dbraw/zinc/90/34/26/1225903426.db2.gz ZFFYSFQSNWNQSK-HNNXBMFYSA-N 2 0 356.430 0.797 20 0 FCADRP CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074603546 1219702151 /nfs/dbraw/zinc/70/21/51/1219702151.db2.gz NUKUSPAVVZWKRJ-OAGGEKHMSA-N 2 0 368.522 0.137 20 0 FCADRP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)n1 ZINC001098219399 1219741848 /nfs/dbraw/zinc/74/18/48/1219741848.db2.gz CSZKKHJQLJRODH-MLHJIOFPSA-N 2 0 360.506 0.958 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001098371470 1219768021 /nfs/dbraw/zinc/76/80/21/1219768021.db2.gz SUIIIPFBSVFWOV-CRAIPNDOSA-N 2 0 363.506 0.546 20 0 FCADRP CCCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371453 1219768128 /nfs/dbraw/zinc/76/81/28/1219768128.db2.gz RLHJNTGVAGEESM-NVXWUHKLSA-N 2 0 368.522 0.138 20 0 FCADRP O=C(CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)NC1CCOCC1 ZINC001098401366 1219774211 /nfs/dbraw/zinc/77/42/11/1219774211.db2.gz ACAQLJWGNPCUJZ-ZACQAIPSSA-N 2 0 364.490 0.099 20 0 FCADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001228365637 1225915121 /nfs/dbraw/zinc/91/51/21/1225915121.db2.gz GNVUEQFCWZYOPC-RRFJBIMHSA-N 2 0 362.478 0.772 20 0 FCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCF)nn3)C2)O1 ZINC001098685960 1219810970 /nfs/dbraw/zinc/81/09/70/1219810970.db2.gz VVRDMJVMOOPHTQ-FVQBIDKESA-N 2 0 368.457 0.220 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001099026945 1219892441 /nfs/dbraw/zinc/89/24/41/1219892441.db2.gz ILHHYQWCIPKKRO-YRNRMSPPSA-N 2 0 362.518 0.920 20 0 FCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099123214 1219921221 /nfs/dbraw/zinc/92/12/21/1219921221.db2.gz YJZVWWXZTPWDDO-FTRWYGJKSA-N 2 0 360.502 0.674 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc4ncccc4[nH]3)C2)OCC1=O ZINC001277312663 1225935188 /nfs/dbraw/zinc/93/51/88/1225935188.db2.gz LCNYOIYKNSOFMN-LJQANCHMSA-N 2 0 357.458 0.928 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001099499622 1220015142 /nfs/dbraw/zinc/01/51/42/1220015142.db2.gz KUMFKXJCVMVDSW-BXWFABGCSA-N 2 0 360.506 0.875 20 0 FCADRP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)nn1 ZINC001099525711 1220024200 /nfs/dbraw/zinc/02/42/00/1220024200.db2.gz RWICDMIWAWHYJO-KXBFYZLASA-N 2 0 358.490 0.629 20 0 FCADRP CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1=O ZINC001099538536 1220027557 /nfs/dbraw/zinc/02/75/57/1220027557.db2.gz SKABJXLMNPWJEH-QKLQHJQFSA-N 2 0 362.518 0.921 20 0 FCADRP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172039 1220208312 /nfs/dbraw/zinc/20/83/12/1220208312.db2.gz TZTMNRBZCPMDHC-SYNHAJSKSA-N 2 0 362.518 0.872 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240545 1220240468 /nfs/dbraw/zinc/24/04/68/1220240468.db2.gz AUSQUXNBGGGHEM-UWVAXJGDSA-N 2 0 362.518 0.633 20 0 FCADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101257293 1220251085 /nfs/dbraw/zinc/25/10/85/1220251085.db2.gz NQUMZVUERZGAJQ-GJYPPUQNSA-N 2 0 370.513 0.971 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267578 1220256590 /nfs/dbraw/zinc/25/65/90/1220256590.db2.gz KTXWXSMQRNKPKW-POAQFYNOSA-N 2 0 362.518 0.633 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267832 1220256911 /nfs/dbraw/zinc/25/69/11/1220256911.db2.gz UMYYNCISJKPMGU-POAQFYNOSA-N 2 0 364.534 0.974 20 0 FCADRP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341818 1220295789 /nfs/dbraw/zinc/29/57/89/1220295789.db2.gz RCZMQCKAHUMHDL-XLIONFOSSA-N 2 0 364.534 0.977 20 0 FCADRP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1)C1CC1 ZINC001101342569 1220295804 /nfs/dbraw/zinc/29/58/04/1220295804.db2.gz AMCZWVDBKOGOCJ-BEFAXECRSA-N 2 0 362.518 0.729 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344991 1220296652 /nfs/dbraw/zinc/29/66/52/1220296652.db2.gz OFHFLLCELASCCW-APWZRJJASA-N 2 0 367.538 0.816 20 0 FCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368740 1220305099 /nfs/dbraw/zinc/30/50/99/1220305099.db2.gz KNWIJYULBBTXKI-QINHECLXSA-N 2 0 364.534 0.975 20 0 FCADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429848 1220340460 /nfs/dbraw/zinc/34/04/60/1220340460.db2.gz CBSVMPAXRNWYCK-QKLQHJQFSA-N 2 0 364.534 0.975 20 0 FCADRP Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101432274 1220341948 /nfs/dbraw/zinc/34/19/48/1220341948.db2.gz KDLNIRLYQJVKNZ-MJGOQNOKSA-N 2 0 363.506 0.321 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101983651 1220452718 /nfs/dbraw/zinc/45/27/18/1220452718.db2.gz IQJCQIMYCCLUJU-NRSFXHEJSA-N 2 0 364.534 0.927 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1 ZINC001102047828 1220476759 /nfs/dbraw/zinc/47/67/59/1220476759.db2.gz UMPCJJGIDMOBGU-FSPWUOQZSA-N 2 0 362.522 0.919 20 0 FCADRP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1 ZINC001102047829 1220477315 /nfs/dbraw/zinc/47/73/15/1220477315.db2.gz UMPCJJGIDMOBGU-XWIAVFTESA-N 2 0 362.522 0.919 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046327 1220477588 /nfs/dbraw/zinc/47/75/88/1220477588.db2.gz YQXLCKQWYSUXDD-BZUAXINKSA-N 2 0 360.506 0.934 20 0 FCADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088334 1220491875 /nfs/dbraw/zinc/49/18/75/1220491875.db2.gz SQAMYBBOMBDNMH-RBSFLKMASA-N 2 0 369.510 0.247 20 0 FCADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104105 1220495870 /nfs/dbraw/zinc/49/58/70/1220495870.db2.gz GDHGIYLZDWSELF-ZIAGYGMSSA-N 2 0 369.510 0.247 20 0 FCADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108281 1220499131 /nfs/dbraw/zinc/49/91/31/1220499131.db2.gz FCCGDXXESRYDJF-BZUAXINKSA-N 2 0 361.490 0.727 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185531 1220540700 /nfs/dbraw/zinc/54/07/00/1220540700.db2.gz GVNHEIDAUFDFMB-SZVBFZGTSA-N 2 0 362.518 0.777 20 0 FCADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290768 1220576287 /nfs/dbraw/zinc/57/62/87/1220576287.db2.gz UZCQBTFIHULEJZ-ZACQAIPSSA-N 2 0 371.522 0.036 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480034 1220647277 /nfs/dbraw/zinc/64/72/77/1220647277.db2.gz UFTFWNBMRGOZIG-BZUAXINKSA-N 2 0 364.490 0.208 20 0 FCADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486831 1220650329 /nfs/dbraw/zinc/65/03/29/1220650329.db2.gz WXKFVPCXVDQALO-BZUAXINKSA-N 2 0 368.522 0.258 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488610 1220651912 /nfs/dbraw/zinc/65/19/12/1220651912.db2.gz AYEIPVYTZVKPRW-NVXWUHKLSA-N 2 0 363.506 0.715 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488761 1220652424 /nfs/dbraw/zinc/65/24/24/1220652424.db2.gz HSURPKRQGKBDBC-HUUCEWRRSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102514377 1220673277 /nfs/dbraw/zinc/67/32/77/1220673277.db2.gz VIRXGFWFBKKSSA-BFYDXBDKSA-N 2 0 368.522 0.163 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525826 1220681536 /nfs/dbraw/zinc/68/15/36/1220681536.db2.gz WZGSOHMBIUBBLS-IXDOHACOSA-N 2 0 370.538 0.554 20 0 FCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102525375 1220682068 /nfs/dbraw/zinc/68/20/68/1220682068.db2.gz ZFUOMSMDPILPEX-HZPDHXFCSA-N 2 0 364.490 0.922 20 0 FCADRP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578327 1220700804 /nfs/dbraw/zinc/70/08/04/1220700804.db2.gz WEGNFLMRWWOWPR-OWCLPIDISA-N 2 0 367.538 0.720 20 0 FCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994297 1220817589 /nfs/dbraw/zinc/81/75/89/1220817589.db2.gz WMBRLPXMFVQPTK-KYJSFNMBSA-N 2 0 360.506 0.731 20 0 FCADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001102998148 1220818388 /nfs/dbraw/zinc/81/83/88/1220818388.db2.gz HJXAELAZGNTVBI-OWYHZJEWSA-N 2 0 367.534 0.800 20 0 FCADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001103000150 1220818414 /nfs/dbraw/zinc/81/84/14/1220818414.db2.gz VKISDWOISYZXPR-RBSFLKMASA-N 2 0 364.494 0.006 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089800 1220830920 /nfs/dbraw/zinc/83/09/20/1220830920.db2.gz BKNLWYXNCPCDRO-HZPDHXFCSA-N 2 0 365.522 0.570 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089898 1220831301 /nfs/dbraw/zinc/83/13/01/1220831301.db2.gz FNYFVZPBYOOMEH-IIAWOOMASA-N 2 0 364.490 0.350 20 0 FCADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103365257 1220871135 /nfs/dbraw/zinc/87/11/35/1220871135.db2.gz VUFHMHRIWUPRGZ-KZNAEPCWSA-N 2 0 371.522 0.179 20 0 FCADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374266 1220872823 /nfs/dbraw/zinc/87/28/23/1220872823.db2.gz BONRLVSHUUAWOH-HZPDHXFCSA-N 2 0 365.522 0.428 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375035 1220873061 /nfs/dbraw/zinc/87/30/61/1220873061.db2.gz WBIOXTMXPJNREL-RBSFLKMASA-N 2 0 364.490 0.208 20 0 FCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436129 1220882513 /nfs/dbraw/zinc/88/25/13/1220882513.db2.gz LMBNLYLZYYBRMQ-RBSFLKMASA-N 2 0 364.494 0.024 20 0 FCADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001103443802 1220884626 /nfs/dbraw/zinc/88/46/26/1220884626.db2.gz MUWTVOULPSHPDQ-OAGGEKHMSA-N 2 0 366.506 0.550 20 0 FCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642013 1220925763 /nfs/dbraw/zinc/92/57/63/1220925763.db2.gz MXHQJBVCJXSNGZ-IAGOWNOFSA-N 2 0 368.522 0.261 20 0 FCADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643456 1220926483 /nfs/dbraw/zinc/92/64/83/1220926483.db2.gz KVPATXYSTCCCFE-BRWVUGGUSA-N 2 0 370.538 0.683 20 0 FCADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103647790 1220926872 /nfs/dbraw/zinc/92/68/72/1220926872.db2.gz DCDJFESLIKZRCO-BZUAXINKSA-N 2 0 364.490 0.843 20 0 FCADRP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718755 1220950704 /nfs/dbraw/zinc/95/07/04/1220950704.db2.gz DDZHEDDZBJRCSB-ZACQAIPSSA-N 2 0 368.522 0.165 20 0 FCADRP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389234 1226008959 /nfs/dbraw/zinc/00/89/59/1226008959.db2.gz MEKPBEZOYZAQKR-IAGOWNOFSA-N 2 0 368.522 0.640 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC001111857960 1221138406 /nfs/dbraw/zinc/13/84/06/1221138406.db2.gz HKRUBAXLTDTZBU-LPHOPBHVSA-N 2 0 366.506 0.158 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001111907441 1221161109 /nfs/dbraw/zinc/16/11/09/1221161109.db2.gz AHYZZENWUMOFAH-LNLFQRSKSA-N 2 0 363.506 0.557 20 0 FCADRP C[C@H]1CN(C)C(=O)CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000782564177 1221170814 /nfs/dbraw/zinc/17/08/14/1221170814.db2.gz XLXOMJURAXKJKB-INIZCTEOSA-N 2 0 374.489 0.466 20 0 FCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939595 1221179954 /nfs/dbraw/zinc/17/99/54/1221179954.db2.gz IRJKTLAOIZZGEZ-FCEWJHQRSA-N 2 0 366.506 0.156 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983858 1221193721 /nfs/dbraw/zinc/19/37/21/1221193721.db2.gz SPXWYLNNNDVQDV-GJYPPUQNSA-N 2 0 365.522 0.616 20 0 FCADRP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2)C1CC1 ZINC001112285217 1221230280 /nfs/dbraw/zinc/23/02/80/1221230280.db2.gz PPCJKBBWBZSYFF-VPWXQRGCSA-N 2 0 362.518 0.920 20 0 FCADRP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447157 1221261373 /nfs/dbraw/zinc/26/13/73/1221261373.db2.gz HAZYDOGQFOMBSD-GJYPPUQNSA-N 2 0 362.518 0.968 20 0 FCADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001229711210 1226029880 /nfs/dbraw/zinc/02/98/80/1226029880.db2.gz ZLTLXKSDHUEDGZ-HUUCEWRRSA-N 2 0 364.494 0.777 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001229746882 1226032522 /nfs/dbraw/zinc/03/25/22/1226032522.db2.gz RFKZGEMKXASSST-KFWWJZLASA-N 2 0 367.494 0.286 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229837712 1226037422 /nfs/dbraw/zinc/03/74/22/1226037422.db2.gz OPPYSXUBRDYFSU-RBSFLKMASA-N 2 0 369.510 0.579 20 0 FCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC001116478316 1221365746 /nfs/dbraw/zinc/36/57/46/1221365746.db2.gz ZIDUUUICRBQOKN-AWEZNQCLSA-N 2 0 362.478 0.546 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229853228 1226037340 /nfs/dbraw/zinc/03/73/40/1226037340.db2.gz PLBHGJLLZQAQNC-QZTJIDSGSA-N 2 0 370.538 0.888 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001116952287 1221407803 /nfs/dbraw/zinc/40/78/03/1221407803.db2.gz IPIIQJWUYJHFJL-DOTOQJQBSA-N 2 0 366.506 0.156 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001117359112 1221530746 /nfs/dbraw/zinc/53/07/46/1221530746.db2.gz GKGUAKLXABDKEN-INMHGKMJSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001230150232 1226059132 /nfs/dbraw/zinc/05/91/32/1226059132.db2.gz YOSVKGSXYLIGDG-BRWVUGGUSA-N 2 0 366.506 0.204 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001230243649 1226067179 /nfs/dbraw/zinc/06/71/79/1226067179.db2.gz UAGJOVPJRCUVHP-RBSFLKMASA-N 2 0 367.494 0.463 20 0 FCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC001118330745 1221761882 /nfs/dbraw/zinc/76/18/82/1221761882.db2.gz YDEUBOXHZMIHNH-BXWFABGCSA-N 2 0 366.506 0.191 20 0 FCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC001118333378 1221762451 /nfs/dbraw/zinc/76/24/51/1221762451.db2.gz MDMDQYWNOVAFHJ-NXOAAHMSSA-N 2 0 366.506 0.141 20 0 FCADRP C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[C@H](C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001118757339 1221827932 /nfs/dbraw/zinc/82/79/32/1221827932.db2.gz CNSMKYZZILGXOV-IYBDPMFKSA-N 2 0 362.518 0.587 20 0 FCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)cc2)CC1 ZINC001119067286 1221862244 /nfs/dbraw/zinc/86/22/44/1221862244.db2.gz GYHWHCYUHULILK-RYQLBKOJSA-N 2 0 356.470 0.973 20 0 FCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356452 1221905455 /nfs/dbraw/zinc/90/54/55/1221905455.db2.gz HBCZECOCUNXMNE-OWLYRPNTSA-N 2 0 358.486 0.867 20 0 FCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119482216 1221922789 /nfs/dbraw/zinc/92/27/89/1221922789.db2.gz FIORMZPBCQBIFC-OKZBNKHCSA-N 2 0 367.538 0.552 20 0 FCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119482215 1221922894 /nfs/dbraw/zinc/92/28/94/1221922894.db2.gz FIORMZPBCQBIFC-KSZLIROESA-N 2 0 367.538 0.552 20 0 FCADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CCCO1 ZINC001120557097 1222104058 /nfs/dbraw/zinc/10/40/58/1222104058.db2.gz DWKCMIUSDDNDSI-SFHVURJKSA-N 2 0 361.490 0.351 20 0 FCADRP CN1CCN(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C[NH3+])C1 ZINC001120674312 1222113703 /nfs/dbraw/zinc/11/37/03/1222113703.db2.gz IAUQVQMVTKGPOJ-GMBSWORKSA-N 2 0 359.474 0.527 20 0 FCADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001120676221 1222114790 /nfs/dbraw/zinc/11/47/90/1222114790.db2.gz VQOQWBHYUNYKHV-ZACQAIPSSA-N 2 0 365.522 0.761 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC001140681255 1222605222 /nfs/dbraw/zinc/60/52/22/1222605222.db2.gz PDKWLQSQYAQNNU-UHFFFAOYSA-N 2 0 364.490 0.442 20 0 FCADRP COCC(=O)NC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232366818 1226149127 /nfs/dbraw/zinc/14/91/27/1226149127.db2.gz PUZPGUMSZLWQHX-UHFFFAOYSA-N 2 0 361.490 0.560 20 0 FCADRP CNC(=O)[C@]12C[N@H+](Cc3c[nH]c(C)n3)C[C@H]1N(c1ncccn1)CCC2 ZINC001232461337 1226153294 /nfs/dbraw/zinc/15/32/94/1226153294.db2.gz IMLYVGRYAADFMY-CRAIPNDOSA-N 2 0 355.446 0.725 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841071560 1222806972 /nfs/dbraw/zinc/80/69/72/1222806972.db2.gz PMGSGLWTPOWRCU-PBHICJAKSA-N 2 0 360.458 0.905 20 0 FCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000841170284 1222811918 /nfs/dbraw/zinc/81/19/18/1222811918.db2.gz ZGJDGBWLENOWTP-HNNXBMFYSA-N 2 0 373.501 0.963 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841170335 1222811973 /nfs/dbraw/zinc/81/19/73/1222811973.db2.gz UOIYESCEBGKOTI-MRXNPFEDSA-N 2 0 373.501 0.883 20 0 FCADRP CCCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000841169686 1222812031 /nfs/dbraw/zinc/81/20/31/1222812031.db2.gz YCFVDILCFKQQDY-INIZCTEOSA-N 2 0 373.501 0.977 20 0 FCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000841201797 1222813342 /nfs/dbraw/zinc/81/33/42/1222813342.db2.gz QVNGKCDRLDBILZ-QGZVFWFLSA-N 2 0 359.474 0.621 20 0 FCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000841277319 1222817505 /nfs/dbraw/zinc/81/75/05/1222817505.db2.gz ZKMCJZUBCZRCOW-HOTGVXAUSA-N 2 0 373.501 0.820 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841931249 1222832011 /nfs/dbraw/zinc/83/20/11/1222832011.db2.gz PYLOZIZLEIFZJU-HNNXBMFYSA-N 2 0 373.423 0.823 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842231164 1222843305 /nfs/dbraw/zinc/84/33/05/1222843305.db2.gz OKBSEFWEMRGFQS-LJQANCHMSA-N 2 0 372.513 0.994 20 0 FCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CC4CC[NH+]2CC4)CC3)CC1 ZINC001142628901 1222845914 /nfs/dbraw/zinc/84/59/14/1222845914.db2.gz NBZUMHZVPVVXCW-SFHVURJKSA-N 2 0 372.517 0.457 20 0 FCADRP C[C@H]1CN(C(=O)C(=O)NCCCCCC[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000843262083 1222867841 /nfs/dbraw/zinc/86/78/41/1222867841.db2.gz NBNXGAKJWBSYMI-DLBZAZTESA-N 2 0 367.538 0.106 20 0 FCADRP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386259 1222874434 /nfs/dbraw/zinc/87/44/34/1222874434.db2.gz DVCFXBDSTMGDAF-SJORKVTESA-N 2 0 366.506 0.999 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CCN([C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001151132797 1222916414 /nfs/dbraw/zinc/91/64/14/1222916414.db2.gz YCPUDQJEZWTFJW-OWCLPIDISA-N 2 0 368.522 0.578 20 0 FCADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001157336289 1223074578 /nfs/dbraw/zinc/07/45/78/1223074578.db2.gz MMMUOPAMQVHHKD-FXAWDEMLSA-N 2 0 360.502 0.959 20 0 FCADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720869 1223080941 /nfs/dbraw/zinc/08/09/41/1223080941.db2.gz QRNIOXRPCCPWNF-LPHOPBHVSA-N 2 0 371.485 0.561 20 0 FCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970210 1223085127 /nfs/dbraw/zinc/08/51/27/1223085127.db2.gz QPDGBGUXORMACH-OALUTQOASA-N 2 0 366.465 0.846 20 0 FCADRP COC(=O)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CCN1C(C)=O ZINC001158013534 1223087162 /nfs/dbraw/zinc/08/71/62/1223087162.db2.gz FQGSCZADRLFKDG-HNNXBMFYSA-N 2 0 361.446 0.219 20 0 FCADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071048 1223087937 /nfs/dbraw/zinc/08/79/37/1223087937.db2.gz SMBRUCKYWXZOTK-LJQANCHMSA-N 2 0 372.513 0.832 20 0 FCADRP NC1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001158070419 1223088085 /nfs/dbraw/zinc/08/80/85/1223088085.db2.gz HBMDBZMFXHYCCW-UHFFFAOYSA-N 2 0 372.513 0.961 20 0 FCADRP O=C(c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158082234 1223088320 /nfs/dbraw/zinc/08/83/20/1223088320.db2.gz MHHMKTYEHDZNJY-SJORKVTESA-N 2 0 370.453 0.080 20 0 FCADRP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091892 1223088395 /nfs/dbraw/zinc/08/83/95/1223088395.db2.gz JHIWUVMOEKYZTK-CZUORRHYSA-N 2 0 370.375 0.266 20 0 FCADRP O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001158100976 1223089057 /nfs/dbraw/zinc/08/90/57/1223089057.db2.gz DZFIEJWPPYXICS-FQEVSTJZSA-N 2 0 374.460 0.429 20 0 FCADRP O=C([C@@H]1C[NH2+]C[C@H](c2ccccc2)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119373 1223089746 /nfs/dbraw/zinc/08/97/46/1223089746.db2.gz GPFHDKRBFXORGC-WWMYMODYSA-N 2 0 368.481 0.318 20 0 FCADRP COc1cccc([C@H]([NH3+])CC(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)c1 ZINC001158121471 1223089900 /nfs/dbraw/zinc/08/99/00/1223089900.db2.gz USIMRLMXPHKFAB-BEFAXECRSA-N 2 0 358.442 0.023 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215427 1223091101 /nfs/dbraw/zinc/09/11/01/1223091101.db2.gz MUPFYAWQGAOJHN-XDNAFOTISA-N 2 0 356.470 0.510 20 0 FCADRP [NH3+][C@H](CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)Cc1ccncc1 ZINC001158260803 1223092274 /nfs/dbraw/zinc/09/22/74/1223092274.db2.gz HOFNNKKCQFPERS-HNNXBMFYSA-N 2 0 355.446 0.054 20 0 FCADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263210 1223092381 /nfs/dbraw/zinc/09/23/81/1223092381.db2.gz ZXNCCUPIJGDZAB-KXBFYZLASA-N 2 0 374.489 0.248 20 0 FCADRP [NH3+][C@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CCc2ccccc21 ZINC001158277771 1223093538 /nfs/dbraw/zinc/09/35/38/1223093538.db2.gz UUJYMLXREHVTJD-LJQANCHMSA-N 2 0 352.442 0.499 20 0 FCADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282951 1223094037 /nfs/dbraw/zinc/09/40/37/1223094037.db2.gz YGQPMMDDQWUJDF-AEFFLSMTSA-N 2 0 368.522 0.355 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001158411316 1223096685 /nfs/dbraw/zinc/09/66/85/1223096685.db2.gz CAVKTEZMZOLZIH-UONOGXRCSA-N 2 0 369.510 0.437 20 0 FCADRP O=C(c1cccnc1O[C@@H]1CC[NH2+]C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544264 1223101706 /nfs/dbraw/zinc/10/17/06/1223101706.db2.gz CDRMJCMTTFZKGB-NRTGNBEESA-N 2 0 358.442 0.415 20 0 FCADRP COC(=O)c1ncnc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)c1OC ZINC001158591350 1223102801 /nfs/dbraw/zinc/10/28/01/1223102801.db2.gz PMTCHRPYBNXOMX-UHFFFAOYSA-N 2 0 363.462 0.924 20 0 FCADRP C[NH+]1CCC(N(c2ccc(N3CC[NH2+]CC3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158575653 1223103318 /nfs/dbraw/zinc/10/33/18/1223103318.db2.gz PPKNJYKVONWLOI-UHFFFAOYSA-N 3 0 359.522 0.539 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001158637240 1223103783 /nfs/dbraw/zinc/10/37/83/1223103783.db2.gz SZWFZBXIJJNNIZ-KBXCAEBGSA-N 2 0 360.462 0.136 20 0 FCADRP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001158698687 1223105460 /nfs/dbraw/zinc/10/54/60/1223105460.db2.gz SAHJMQASQSGWGI-CWRNSKLLSA-N 2 0 360.506 0.360 20 0 FCADRP [NH3+][C@@H](C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)C1CC[NH2+]CC1 ZINC001158736806 1223106664 /nfs/dbraw/zinc/10/66/64/1223106664.db2.gz KCSMPSIAGQWXSX-FJIDUMEYSA-N 2 0 360.458 0.546 20 0 FCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158858603 1223111457 /nfs/dbraw/zinc/11/14/57/1223111457.db2.gz YZBJICYIEFWFPD-AUUYWEPGSA-N 3 0 360.506 0.334 20 0 FCADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)C1=O ZINC001159136519 1223118299 /nfs/dbraw/zinc/11/82/99/1223118299.db2.gz XIPZDJVGJGCRGI-OKZBNKHCSA-N 2 0 371.485 0.597 20 0 FCADRP O=C(N1CCc2ncc(C[NH+]3CCCC3)n2CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159160792 1223119577 /nfs/dbraw/zinc/11/95/77/1223119577.db2.gz RJQITLGMUPCOPJ-OXQOHEQNSA-N 3 0 372.517 0.063 20 0 FCADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159192475 1223120052 /nfs/dbraw/zinc/12/00/52/1223120052.db2.gz SVGRJKCSNZYEKZ-NVXWUHKLSA-N 2 0 359.474 0.077 20 0 FCADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159190477 1223120166 /nfs/dbraw/zinc/12/01/66/1223120166.db2.gz KAWRSJYIVZQKCH-JSGCOSHPSA-N 2 0 365.478 0.614 20 0 FCADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159225216 1223121117 /nfs/dbraw/zinc/12/11/17/1223121117.db2.gz PIFFXUMSDSWOEQ-IKGGRYGDSA-N 2 0 360.502 0.863 20 0 FCADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291793 1223123467 /nfs/dbraw/zinc/12/34/67/1223123467.db2.gz TUINUSZLJIYRNT-SFHVURJKSA-N 2 0 370.497 0.617 20 0 FCADRP CO[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317902 1223124252 /nfs/dbraw/zinc/12/42/52/1223124252.db2.gz ZQUMTPIVARFPKC-INDMIFKZSA-N 2 0 374.485 0.508 20 0 FCADRP Cc1cccc(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338274 1223124759 /nfs/dbraw/zinc/12/47/59/1223124759.db2.gz DBGQPOVYZLYTFB-RFCWIEKVSA-N 2 0 370.497 0.799 20 0 FCADRP Cc1cccc(N(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159341011 1223124874 /nfs/dbraw/zinc/12/48/74/1223124874.db2.gz ZJXGIDGTSOBPGU-HKUYNNGSSA-N 2 0 358.486 0.930 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[NH2+]CCC[NH3+])CC[C@@H]21 ZINC001159533444 1223129391 /nfs/dbraw/zinc/12/93/91/1223129391.db2.gz GHUFONQTOMIJQI-SQNIBIBYSA-N 3 0 362.522 0.521 20 0 FCADRP CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159544482 1223129420 /nfs/dbraw/zinc/12/94/20/1223129420.db2.gz OTZDGLFRLRGRSD-GJYPPUQNSA-N 2 0 368.522 0.470 20 0 FCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560935 1223129955 /nfs/dbraw/zinc/12/99/55/1223129955.db2.gz QJPVGLYBWTZAOQ-STQMWFEESA-N 2 0 362.478 0.109 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610837 1223131455 /nfs/dbraw/zinc/13/14/55/1223131455.db2.gz UYFSPCDXDIKZCQ-WBMJQRKESA-N 2 0 374.489 0.246 20 0 FCADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667769 1223132870 /nfs/dbraw/zinc/13/28/70/1223132870.db2.gz UXMGBROWSYVKOL-ZWKOTPCHSA-N 2 0 356.470 0.883 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159697500 1223134662 /nfs/dbraw/zinc/13/46/62/1223134662.db2.gz HRCHFKLDCXFTSK-YYIAUSFCSA-N 2 0 362.474 0.923 20 0 FCADRP Cn1cc(N2C[C@]3(CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C3)CC2=O)cn1 ZINC001159756439 1223135761 /nfs/dbraw/zinc/13/57/61/1223135761.db2.gz CZFMVQUJTDZUGD-KBXCAEBGSA-N 2 0 362.478 0.222 20 0 FCADRP [NH3+][C@@H](C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799685 1223136907 /nfs/dbraw/zinc/13/69/07/1223136907.db2.gz SWCRFFBKVDFBGY-RHSMWYFYSA-N 2 0 357.462 0.065 20 0 FCADRP [NH3+][C@H](C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799684 1223137190 /nfs/dbraw/zinc/13/71/90/1223137190.db2.gz SWCRFFBKVDFBGY-PBHICJAKSA-N 2 0 357.462 0.065 20 0 FCADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905174 1223139147 /nfs/dbraw/zinc/13/91/47/1223139147.db2.gz KVCFGLJUWJGFPF-GJYPPUQNSA-N 2 0 358.442 0.029 20 0 FCADRP O=C(N1CCCn2cnc(Cn3cccn3)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159981451 1223141725 /nfs/dbraw/zinc/14/17/25/1223141725.db2.gz YSQWRDMHJSPUNV-DNVCBOLYSA-N 2 0 369.473 0.059 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159981476 1223141875 /nfs/dbraw/zinc/14/18/75/1223141875.db2.gz ZSCOUWKCKIITSL-HNNXBMFYSA-N 2 0 359.478 0.707 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160007005 1223142263 /nfs/dbraw/zinc/14/22/63/1223142263.db2.gz AMAGXLRVPJRETR-OAHLLOKOSA-N 2 0 358.446 0.656 20 0 FCADRP Cc1ccc(N(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054072 1223143336 /nfs/dbraw/zinc/14/33/36/1223143336.db2.gz WVMYCACVYOPSIL-IIDMSEBBSA-N 3 0 362.478 0.095 20 0 FCADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086301 1223144488 /nfs/dbraw/zinc/14/44/88/1223144488.db2.gz VXYOPDYEKAYOHB-ZWOKBUDYSA-N 2 0 373.501 0.783 20 0 FCADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160102291 1223145700 /nfs/dbraw/zinc/14/57/00/1223145700.db2.gz KABHIFPNGUSYHF-SJORKVTESA-N 2 0 373.501 0.763 20 0 FCADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CCO2 ZINC001160177971 1223148434 /nfs/dbraw/zinc/14/84/34/1223148434.db2.gz DCPSLSRIQSXBGT-APWZRJJASA-N 2 0 364.490 0.101 20 0 FCADRP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001160219192 1223150220 /nfs/dbraw/zinc/15/02/20/1223150220.db2.gz VMVIPMVEMKRPHH-QAETUUGQSA-N 2 0 359.474 0.621 20 0 FCADRP CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001160275369 1223153225 /nfs/dbraw/zinc/15/32/25/1223153225.db2.gz VFVKGNVSYRRLQB-QGZVFWFLSA-N 2 0 358.486 0.932 20 0 FCADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[C@@H]2C1 ZINC001160294937 1223153733 /nfs/dbraw/zinc/15/37/33/1223153733.db2.gz ICJAIVJJKQEPPE-MWDXBVQZSA-N 2 0 368.522 0.576 20 0 FCADRP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001160323654 1223154974 /nfs/dbraw/zinc/15/49/74/1223154974.db2.gz NIMFFJQHRSSCRY-LSDHHAIUSA-N 2 0 364.494 0.679 20 0 FCADRP COc1cc2c(cc1Nc1cnn(C3C[NH2+]C3)c1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001160362421 1223156782 /nfs/dbraw/zinc/15/67/82/1223156782.db2.gz QPPFKEVILCGWEY-GOSISDBHSA-N 2 0 354.414 0.963 20 0 FCADRP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160443327 1223160088 /nfs/dbraw/zinc/16/00/88/1223160088.db2.gz GEAZRCNWXXQWQB-YWZLYKJASA-N 2 0 354.454 0.518 20 0 FCADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(CCc2ccccn2)CC1 ZINC001160484066 1223162186 /nfs/dbraw/zinc/16/21/86/1223162186.db2.gz YAFGRQDQEDVLGI-SFHVURJKSA-N 2 0 357.502 0.643 20 0 FCADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160711707 1223169640 /nfs/dbraw/zinc/16/96/40/1223169640.db2.gz TZHMPRPAICRIGE-GOSISDBHSA-N 2 0 373.501 0.812 20 0 FCADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001160712556 1223169708 /nfs/dbraw/zinc/16/97/08/1223169708.db2.gz ZUNKGSMOTLDFBB-MRXNPFEDSA-N 2 0 359.449 0.942 20 0 FCADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160715246 1223169942 /nfs/dbraw/zinc/16/99/42/1223169942.db2.gz ZVHMDSTVUNQXSG-IBGZPJMESA-N 2 0 370.497 0.985 20 0 FCADRP CCOC(=O)[C@]12CN(C(=O)c3cncn3-c3cc[nH+]cc3)C[C@H]1C[NH2+]CC2 ZINC001160816437 1223175246 /nfs/dbraw/zinc/17/52/46/1223175246.db2.gz ANPOYVBFFJRYAK-AUUYWEPGSA-N 2 0 369.425 0.882 20 0 FCADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915637 1223180118 /nfs/dbraw/zinc/18/01/18/1223180118.db2.gz HNKQTNJRPPBKAE-OAHLLOKOSA-N 2 0 363.437 0.147 20 0 FCADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001240 1223182994 /nfs/dbraw/zinc/18/29/94/1223182994.db2.gz WYSIQGBJDMWFHG-HOTGVXAUSA-N 2 0 361.442 0.163 20 0 FCADRP CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061567 1223184217 /nfs/dbraw/zinc/18/42/17/1223184217.db2.gz HGVVNQCGKSKJQX-RYQLBKOJSA-N 2 0 371.485 0.882 20 0 FCADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062463 1223184364 /nfs/dbraw/zinc/18/43/64/1223184364.db2.gz KGYCCRJQIJAFNQ-VGWMRTNUSA-N 2 0 368.522 0.848 20 0 FCADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090768 1223185743 /nfs/dbraw/zinc/18/57/43/1223185743.db2.gz OMOYECZHJDLRSC-DOPJRALCSA-N 2 0 366.469 0.665 20 0 FCADRP COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161145732 1223187057 /nfs/dbraw/zinc/18/70/57/1223187057.db2.gz ITMRYEIXMFVZNR-DLBZAZTESA-N 2 0 362.474 0.329 20 0 FCADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001161154050 1223188015 /nfs/dbraw/zinc/18/80/15/1223188015.db2.gz SXVUOUAFCBVNNY-HNNXBMFYSA-N 2 0 365.430 0.188 20 0 FCADRP N[C@@]1(C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001161152329 1223188049 /nfs/dbraw/zinc/18/80/49/1223188049.db2.gz GUPKLAVLCKKZLV-HNNXBMFYSA-N 2 0 372.395 0.661 20 0 FCADRP C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196379 1223188385 /nfs/dbraw/zinc/18/83/85/1223188385.db2.gz FKYXUMWZYYLXJE-MJGOQNOKSA-N 2 0 366.550 0.925 20 0 FCADRP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161329142 1223195730 /nfs/dbraw/zinc/19/57/30/1223195730.db2.gz VFZFLHMDJGVVRC-KRWDZBQOSA-N 2 0 356.470 0.559 20 0 FCADRP CCN(C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC001161352407 1223196484 /nfs/dbraw/zinc/19/64/84/1223196484.db2.gz VXOOHLLPNHGFJZ-XJKSGUPXSA-N 2 0 358.446 0.604 20 0 FCADRP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378831 1223197213 /nfs/dbraw/zinc/19/72/13/1223197213.db2.gz NHUOIOXZMIWVGD-MNEFBYGVSA-N 2 0 360.502 0.943 20 0 FCADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H](Oc4ccccc4)C[NH2+]3)C2)CC1 ZINC001161377511 1223197352 /nfs/dbraw/zinc/19/73/52/1223197352.db2.gz GNPDFHJGOYXVCZ-WDSOQIARSA-N 2 0 358.486 0.820 20 0 FCADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3cccc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC001161380199 1223197853 /nfs/dbraw/zinc/19/78/53/1223197853.db2.gz JOSYMPWFLWOCLC-LJQANCHMSA-N 2 0 357.502 0.734 20 0 FCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413061 1223198558 /nfs/dbraw/zinc/19/85/58/1223198558.db2.gz NURULEVTJUPLON-QTMHVTGLSA-N 2 0 370.497 0.743 20 0 FCADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC001161423465 1223198836 /nfs/dbraw/zinc/19/88/36/1223198836.db2.gz AXCVYUAPZCOZCO-BZSNNMDCSA-N 2 0 356.470 0.382 20 0 FCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C[C@H]12 ZINC001161417869 1223199077 /nfs/dbraw/zinc/19/90/77/1223199077.db2.gz YOMLKMHSYBKBDW-UJDVCPFMSA-N 2 0 356.430 0.200 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1Cc3cc(O)ccc3C[NH2+]1)CC2 ZINC001161480548 1223200873 /nfs/dbraw/zinc/20/08/73/1223200873.db2.gz UVBUALOTICQWNI-FCEWJHQRSA-N 2 0 359.426 0.160 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1C[NH2+]Cc3cccn3C1)CC2 ZINC001161478351 1223200928 /nfs/dbraw/zinc/20/09/28/1223200928.db2.gz LYKVEVUGSLRTAH-GMBSWORKSA-N 2 0 360.458 0.351 20 0 FCADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC2 ZINC001161480607 1223200999 /nfs/dbraw/zinc/20/09/99/1223200999.db2.gz PMBKVPWDXJFPFH-SNUQEOBHSA-N 2 0 369.462 0.189 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1)CC2 ZINC001161479720 1223201021 /nfs/dbraw/zinc/20/10/21/1223201021.db2.gz LPQJRCLPFZLKGE-SNRMKQJTSA-N 2 0 363.433 0.839 20 0 FCADRP [NH3+][C@@H]1CN(C(=O)[C@H](c2cc3ccccc3[nH]2)N2CC[NH2+]CC2)CC12COC2 ZINC001161509879 1223202579 /nfs/dbraw/zinc/20/25/79/1223202579.db2.gz MCBJPNYRDBAOSM-MSOLQXFVSA-N 2 0 369.469 0.300 20 0 FCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510338 1223202722 /nfs/dbraw/zinc/20/27/22/1223202722.db2.gz NOKRXSBNDGKIRP-BBWFWOEESA-N 2 0 373.453 0.094 20 0 FCADRP [NH3+]CCC[NH2+]CC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161516875 1223203577 /nfs/dbraw/zinc/20/35/77/1223203577.db2.gz JKIJIKQTWHPVTP-UHFFFAOYSA-N 2 0 364.465 0.871 20 0 FCADRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])CCc3cc(=O)oc4cc(O)ccc34)C2)C1 ZINC001161532860 1223203977 /nfs/dbraw/zinc/20/39/77/1223203977.db2.gz YSNKMCKCDDJAJX-HNNXBMFYSA-N 2 0 357.410 0.533 20 0 FCADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001162531727 1223217659 /nfs/dbraw/zinc/21/76/59/1223217659.db2.gz HQOXJNXRHDTNAE-UHFFFAOYSA-N 2 0 360.418 0.772 20 0 FCADRP c1c([C@H]2C[NH2+]CCO2)nc2cccc(NCc3nnn4c3C[NH2+]CCC4)n12 ZINC001162980113 1223223378 /nfs/dbraw/zinc/22/33/78/1223223378.db2.gz VGLRTRBPPGAADU-MRXNPFEDSA-N 2 0 368.445 0.692 20 0 FCADRP C[NH+](C)CCCNC(=O)c1cccnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163016906 1223224139 /nfs/dbraw/zinc/22/41/39/1223224139.db2.gz MYPRDDFYBKPMJJ-UHFFFAOYSA-N 2 0 372.477 0.460 20 0 FCADRP O=C(NC1CC[NH2+]CC1)c1ccccc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163027662 1223224520 /nfs/dbraw/zinc/22/45/20/1223224520.db2.gz RDEJUVITKAGGQB-UHFFFAOYSA-N 2 0 369.473 0.865 20 0 FCADRP O=C1Nc2c(cccc2NCc2nnc3n2CCC[NH2+]C3)C12CC[NH2+]CC2 ZINC001163026277 1223224678 /nfs/dbraw/zinc/22/46/78/1223224678.db2.gz FDAQWHZZOJSRND-UHFFFAOYSA-N 2 0 367.457 0.957 20 0 FCADRP O=C1N[C@H](c2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc2)CC12C[NH2+]C2 ZINC001163171782 1223227778 /nfs/dbraw/zinc/22/77/78/1223227778.db2.gz OCQSDFIECDFOEK-BGTYHANMSA-N 2 0 356.470 0.874 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001164582954 1223240309 /nfs/dbraw/zinc/24/03/09/1223240309.db2.gz PQERWMJFALKULD-MELADBBJSA-N 2 0 367.494 0.176 20 0 FCADRP [NH3+]C1CCN(c2cccc(N3CCN(CC(=O)N4CCCC4)CC3)n2)CC1 ZINC001165057633 1223241346 /nfs/dbraw/zinc/24/13/46/1223241346.db2.gz AUOOWZCHMBFWLM-UHFFFAOYSA-N 2 0 372.517 0.754 20 0 FCADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001165728715 1223255616 /nfs/dbraw/zinc/25/56/16/1223255616.db2.gz RFDKDCKUEOVMQE-QLFBSQMISA-N 2 0 364.494 0.471 20 0 FCADRP C[C@H]1CCCN1C(=O)c1nn(-c2cc(C3C[NH2+]C3)ncn2)c2c1C[NH2+]CC2 ZINC001165934757 1223262022 /nfs/dbraw/zinc/26/20/22/1223262022.db2.gz DMIVVAMKSOETFQ-LBPRGKRZSA-N 2 0 367.457 0.619 20 0 FCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2C[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165937525 1223262309 /nfs/dbraw/zinc/26/23/09/1223262309.db2.gz LBTRPFZGNXEMEC-LLVKDONJSA-N 2 0 353.430 0.536 20 0 FCADRP c1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001167018065 1223291548 /nfs/dbraw/zinc/29/15/48/1223291548.db2.gz GCLYWHIHTYRVEV-UHFFFAOYSA-N 2 0 364.457 0.635 20 0 FCADRP CCC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205211270 1223316724 /nfs/dbraw/zinc/31/67/24/1223316724.db2.gz DFDWYEQJTMFEIQ-RTBURBONSA-N 2 0 363.502 0.785 20 0 FCADRP COCCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335183 1223320205 /nfs/dbraw/zinc/32/02/05/1223320205.db2.gz VJOYADSCGRQJAL-NVXWUHKLSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001205334969 1223320245 /nfs/dbraw/zinc/32/02/45/1223320245.db2.gz UJMCQWAICKMYIK-NVXWUHKLSA-N 2 0 366.506 0.014 20 0 FCADRP C[NH+](C)CCCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205452941 1223324417 /nfs/dbraw/zinc/32/44/17/1223324417.db2.gz ZIQLGFQJUUPYIJ-DLBZAZTESA-N 2 0 364.465 0.927 20 0 FCADRP CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510764 1223329217 /nfs/dbraw/zinc/32/92/17/1223329217.db2.gz FWXCIWZWNQOLSB-HRCADAONSA-N 2 0 366.506 0.141 20 0 FCADRP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955146 1223394601 /nfs/dbraw/zinc/39/46/01/1223394601.db2.gz LTBFXJKWCSKWSF-NXHRZFHOSA-N 2 0 368.522 0.448 20 0 FCADRP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980307 1223400596 /nfs/dbraw/zinc/40/05/96/1223400596.db2.gz UDXDGYUTJUHGTC-HYVNUMGLSA-N 2 0 365.522 0.472 20 0 FCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC1 ZINC001207397941 1223442984 /nfs/dbraw/zinc/44/29/84/1223442984.db2.gz VUYMJLPDDMBTTI-GBESFXJTSA-N 2 0 373.501 0.885 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001208070299 1223513241 /nfs/dbraw/zinc/51/32/41/1223513241.db2.gz IQWIIFXAEKWSKL-RBSFLKMASA-N 2 0 363.462 0.842 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001208070298 1223513459 /nfs/dbraw/zinc/51/34/59/1223513459.db2.gz IQWIIFXAEKWSKL-QLFBSQMISA-N 2 0 363.462 0.842 20 0 FCADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001208110928 1223516708 /nfs/dbraw/zinc/51/67/08/1223516708.db2.gz YSPLJVMHQPWDMG-OKZBNKHCSA-N 2 0 365.518 0.914 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CCC3(CC2)C(=O)N(CCOC)CCN3C)CC1 ZINC001208596258 1223561352 /nfs/dbraw/zinc/56/13/52/1223561352.db2.gz HYRRMLAGXVXDHC-UHFFFAOYSA-N 2 0 366.550 0.973 20 0 FCADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612185 1223563612 /nfs/dbraw/zinc/56/36/12/1223563612.db2.gz GJHHAKTZHWLIOK-RTBURBONSA-N 2 0 360.550 0.904 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001208627761 1223565038 /nfs/dbraw/zinc/56/50/38/1223565038.db2.gz AALHSEYLNFCGCU-UWWQBHOKSA-N 2 0 364.490 0.853 20 0 FCADRP CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208708517 1223572054 /nfs/dbraw/zinc/57/20/54/1223572054.db2.gz YIHWBXINVAJRGO-KFWWJZLASA-N 2 0 369.510 0.389 20 0 FCADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630373 1223609182 /nfs/dbraw/zinc/60/91/82/1223609182.db2.gz QDZFWKZBVVVWIF-HXUWFJFHSA-N 3 0 365.566 0.643 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1C ZINC001209626220 1223635192 /nfs/dbraw/zinc/63/51/92/1223635192.db2.gz PFOWCSUQTPVSIG-NVXWUHKLSA-N 2 0 361.490 0.476 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297439 1223681413 /nfs/dbraw/zinc/68/14/13/1223681413.db2.gz FYEIFNOCPLDTBZ-OLMNPRSZSA-N 2 0 367.465 0.874 20 0 FCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001211045928 1223721722 /nfs/dbraw/zinc/72/17/22/1223721722.db2.gz FENFEDFRPRQCLI-SOLBZPMBSA-N 2 0 363.506 0.367 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326201 1223734978 /nfs/dbraw/zinc/73/49/78/1223734978.db2.gz DWZZXFASQHRVPD-FGTMMUONSA-N 2 0 363.506 0.557 20 0 FCADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221854 1223771482 /nfs/dbraw/zinc/77/14/82/1223771482.db2.gz SKFNIQCKODPNDQ-IAGOWNOFSA-N 2 0 371.522 0.729 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676013 1223831024 /nfs/dbraw/zinc/83/10/24/1223831024.db2.gz LJJNRKXZKFZNPR-GUDVDZBRSA-N 2 0 363.502 0.747 20 0 FCADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747696 1223843037 /nfs/dbraw/zinc/84/30/37/1223843037.db2.gz OLXOOHGBLHXLNE-RCCFBDPRSA-N 2 0 371.522 0.729 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754116 1223844219 /nfs/dbraw/zinc/84/42/19/1223844219.db2.gz UJRWBFIDUOCJFH-ARFHVFGLSA-N 2 0 364.494 0.313 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764911 1223846184 /nfs/dbraw/zinc/84/61/84/1223846184.db2.gz KNBDSOOOBPQOHA-GVDBMIGSSA-N 2 0 368.522 0.450 20 0 FCADRP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@H](OC)C1)C1CCC1 ZINC001213802192 1223852110 /nfs/dbraw/zinc/85/21/10/1223852110.db2.gz NNKOKVAVOOQJMY-KZNAEPCWSA-N 2 0 364.490 0.983 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001214338552 1223901921 /nfs/dbraw/zinc/90/19/21/1223901921.db2.gz SPKYFOXVXISGBK-KBRIMQKVSA-N 2 0 360.458 0.861 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214648468 1223929150 /nfs/dbraw/zinc/92/91/50/1223929150.db2.gz PDRRKADMWHWZBR-HYVNUMGLSA-N 2 0 364.534 0.927 20 0 FCADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214755242 1223939285 /nfs/dbraw/zinc/93/92/85/1223939285.db2.gz XLRPMIVNOBNNMT-MGPQQGTHSA-N 2 0 369.441 0.730 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214861405 1223949150 /nfs/dbraw/zinc/94/91/50/1223949150.db2.gz SVAREPXQSLVHAU-RHSMWYFYSA-N 2 0 366.506 0.202 20 0 FCADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C)C(=O)NC(N)=O ZINC001214967164 1223960199 /nfs/dbraw/zinc/96/01/99/1223960199.db2.gz QWSKDPIZHUEMRF-GPCCPHFNSA-N 2 0 358.402 0.196 20 0 FCADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)ccc2c[nH+]cn21 ZINC001215027372 1223965596 /nfs/dbraw/zinc/96/55/96/1223965596.db2.gz QJMJKIMHUCRMBZ-SJKOYZFVSA-N 2 0 355.442 0.971 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215153433 1223978529 /nfs/dbraw/zinc/97/85/29/1223978529.db2.gz RJXFFXOGPFKBRE-CXAGYDPISA-N 2 0 355.442 0.911 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215184395 1223980864 /nfs/dbraw/zinc/98/08/64/1223980864.db2.gz BRUKSHXXCPOLPE-LOFRJYDISA-N 2 0 363.502 0.855 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215224189 1223983719 /nfs/dbraw/zinc/98/37/19/1223983719.db2.gz MDBZFQKYELLBPY-BJZITVGISA-N 2 0 362.518 0.824 20 0 FCADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001215226484 1223983905 /nfs/dbraw/zinc/98/39/05/1223983905.db2.gz KNLOZFZRNPAWQG-BRWVUGGUSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001215234160 1223984801 /nfs/dbraw/zinc/98/48/01/1223984801.db2.gz GKJSFGOUOVNIEM-HZPDHXFCSA-N 2 0 365.522 0.713 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215234400 1223984958 /nfs/dbraw/zinc/98/49/58/1223984958.db2.gz SVEGCRZSITVCTN-HZSPNIEDSA-N 2 0 367.494 0.271 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001215423960 1223999118 /nfs/dbraw/zinc/99/91/18/1223999118.db2.gz YQZPSAYHHISJPF-ZIAGYGMSSA-N 2 0 367.494 0.095 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453714 1224000000 /nfs/dbraw/zinc/00/00/00/1224000000.db2.gz OQUAJZNQPQOBDU-UKRRQHHQSA-N 2 0 367.494 0.001 20 0 FCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599070 1224008954 /nfs/dbraw/zinc/00/89/54/1224008954.db2.gz PQDQHXDDRSMVOL-IXDOHACOSA-N 2 0 368.522 0.448 20 0 FCADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978183311 1248718576 /nfs/dbraw/zinc/71/85/76/1248718576.db2.gz UQTSJPGYCNLKMU-QQXKLLMISA-N 2 0 365.518 0.674 20 0 FCADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773930 1224016989 /nfs/dbraw/zinc/01/69/89/1224016989.db2.gz DUMHBBNSLCJEGE-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410173 1224048920 /nfs/dbraw/zinc/04/89/20/1224048920.db2.gz RZEYTXBFVXXCBN-BZUAXINKSA-N 2 0 366.506 0.060 20 0 FCADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001216469273 1224052643 /nfs/dbraw/zinc/05/26/43/1224052643.db2.gz ONCXAVKVZLPPQX-IXDOHACOSA-N 2 0 368.522 0.402 20 0 FCADRP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757739 1224069628 /nfs/dbraw/zinc/06/96/28/1224069628.db2.gz KMAURFMHRIJHCG-IXDOHACOSA-N 2 0 368.522 0.450 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001216773067 1224070922 /nfs/dbraw/zinc/07/09/22/1224070922.db2.gz XSZSWOHVQMOSSD-HUUCEWRRSA-N 2 0 364.494 0.311 20 0 FCADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216835875 1224077135 /nfs/dbraw/zinc/07/71/35/1224077135.db2.gz LMMMURHBQNSNFG-HUUCEWRRSA-N 2 0 363.462 0.926 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216840864 1224078068 /nfs/dbraw/zinc/07/80/68/1224078068.db2.gz IOVUREFUHHTFQS-FGTMMUONSA-N 2 0 363.506 0.557 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853781 1224079037 /nfs/dbraw/zinc/07/90/37/1224079037.db2.gz LYMJEEHENUCBBX-BRWVUGGUSA-N 2 0 370.538 0.694 20 0 FCADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851937 1224079330 /nfs/dbraw/zinc/07/93/30/1224079330.db2.gz LQRWOUVOQREALD-HUUCEWRRSA-N 2 0 369.510 0.245 20 0 FCADRP Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)on1 ZINC001217009521 1224084577 /nfs/dbraw/zinc/08/45/77/1224084577.db2.gz AGGTUBUCOXLOMM-KWCYVHTRSA-N 2 0 360.418 0.643 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000985441552 1248923857 /nfs/dbraw/zinc/92/38/57/1248923857.db2.gz KEBBGXXEJJWDJD-NVXWUHKLSA-N 2 0 366.506 0.108 20 0 FCADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000994049267 1250170954 /nfs/dbraw/zinc/17/09/54/1250170954.db2.gz ACUWGIBXVUXGKT-NXHRZFHOSA-N 2 0 362.518 0.635 20 0 FCADRP NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000849089111 1245391782 /nfs/dbraw/zinc/39/17/82/1245391782.db2.gz UIXHASCSQOYKNX-IRXDYDNUSA-N 2 0 359.474 0.798 20 0 FCADRP CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000849108406 1245392706 /nfs/dbraw/zinc/39/27/06/1245392706.db2.gz RNFPAWXTXIUOOA-UHFFFAOYSA-N 2 0 368.526 0.747 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538721 1245453369 /nfs/dbraw/zinc/45/33/69/1245453369.db2.gz SGIMWHCLOKBRFE-FPCVCCKLSA-N 2 0 365.478 0.437 20 0 FCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897056759 1245464711 /nfs/dbraw/zinc/46/47/11/1245464711.db2.gz MUQKTCZEMUVEKY-MOPGFXCFSA-N 2 0 365.518 0.981 20 0 FCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000897419897 1245471748 /nfs/dbraw/zinc/47/17/48/1245471748.db2.gz HVOUSRAPOKWJFY-MRXNPFEDSA-N 2 0 366.506 0.299 20 0 FCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911515763 1245503228 /nfs/dbraw/zinc/50/32/28/1245503228.db2.gz GNHHPEQVSFKUJT-CYGHRXIMSA-N 2 0 356.470 0.813 20 0 FCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@H]21 ZINC000911517265 1245504368 /nfs/dbraw/zinc/50/43/68/1245504368.db2.gz QZIANCLOUSRWMT-VDHUWJSZSA-N 2 0 356.470 0.670 20 0 FCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911516671 1245505037 /nfs/dbraw/zinc/50/50/37/1245505037.db2.gz DAKNPXAITXXQFU-QZTJIDSGSA-N 2 0 374.485 0.297 20 0 FCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564332 1245515310 /nfs/dbraw/zinc/51/53/10/1245515310.db2.gz SVQMUAGYGZKOQL-MRXNPFEDSA-N 2 0 367.538 0.119 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CCO[C@H](C)C1)C2 ZINC000915830296 1245530507 /nfs/dbraw/zinc/53/05/07/1245530507.db2.gz SWUZXJZINPRDTH-RXYDEIHYSA-N 2 0 368.522 0.486 20 0 FCADRP CCN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919118956 1245595882 /nfs/dbraw/zinc/59/58/82/1245595882.db2.gz MZGHMHNNNOANTR-RXYDEIHYSA-N 2 0 368.522 0.486 20 0 FCADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000919517001 1245606838 /nfs/dbraw/zinc/60/68/38/1245606838.db2.gz FVKJTUKLGVLTHS-IAGOWNOFSA-N 2 0 367.538 0.946 20 0 FCADRP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282239 1245705269 /nfs/dbraw/zinc/70/52/69/1245705269.db2.gz UGRNZYXWFJBWOS-JKSUJKDBSA-N 2 0 365.474 0.612 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000943713166 1247395793 /nfs/dbraw/zinc/39/57/93/1247395793.db2.gz XZVKLULERKHYIP-QBPKDAKJSA-N 2 0 362.518 0.966 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396640 1247550125 /nfs/dbraw/zinc/55/01/25/1247550125.db2.gz YMVFDQOQKDORDG-OWCLPIDISA-N 2 0 366.506 0.297 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000945386719 1247740427 /nfs/dbraw/zinc/74/04/27/1247740427.db2.gz FNOKWUTVZTYUKP-YYIAUSFCSA-N 2 0 368.522 0.399 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595093 1247907379 /nfs/dbraw/zinc/90/73/79/1247907379.db2.gz IHSQBEOYJMKEBU-ZJPYXAASSA-N 2 0 360.506 0.789 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1)[NH+](C)C ZINC000946778944 1248016026 /nfs/dbraw/zinc/01/60/26/1248016026.db2.gz ZPTHKSYHFZSQJW-OWCLPIDISA-N 2 0 368.522 0.401 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000946914232 1248075325 /nfs/dbraw/zinc/07/53/25/1248075325.db2.gz BYZYPEVCRXEWBX-DLBZAZTESA-N 2 0 362.518 0.920 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC000972739088 1248128191 /nfs/dbraw/zinc/12/81/91/1248128191.db2.gz NWXGCFMECZHJJW-LZLYRXPVSA-N 2 0 362.518 0.872 20 0 FCADRP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)CC1 ZINC000974910892 1248191003 /nfs/dbraw/zinc/19/10/03/1248191003.db2.gz JJYJJDMORUPIAM-FGTMMUONSA-N 2 0 362.518 0.872 20 0 FCADRP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001327932067 1265456991 /nfs/dbraw/zinc/45/69/91/1265456991.db2.gz GFIBMMIXADQIMT-QZTJIDSGSA-N 2 0 362.518 0.921 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000976595609 1248269304 /nfs/dbraw/zinc/26/93/04/1248269304.db2.gz NWZWDHWNSFCVKW-CFHZMDMSSA-N 2 0 362.518 0.774 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC000976610125 1248292401 /nfs/dbraw/zinc/29/24/01/1248292401.db2.gz PMUCLLRJSMLTMP-DWMDIXPDSA-N 2 0 362.518 0.630 20 0 FCADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001328188876 1265499174 /nfs/dbraw/zinc/49/91/74/1265499174.db2.gz ADOCLKLSQDYCFY-HNNXBMFYSA-N 2 0 363.510 0.206 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000996542866 1251376155 /nfs/dbraw/zinc/37/61/55/1251376155.db2.gz BOQJRBVRYRTUHF-YVSFHVDLSA-N 2 0 362.518 0.918 20 0 FCADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000996580826 1251397785 /nfs/dbraw/zinc/39/77/85/1251397785.db2.gz SLHLSTAGMGOGPA-XYPHTWIQSA-N 2 0 366.506 0.188 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC000996602702 1251402571 /nfs/dbraw/zinc/40/25/71/1251402571.db2.gz FSDBYULIZWIZCY-JKSUJKDBSA-N 2 0 361.494 0.819 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000997035219 1251475539 /nfs/dbraw/zinc/47/55/39/1251475539.db2.gz UPANCIDBYGCFDK-CEXWTWQISA-N 2 0 370.497 0.801 20 0 FCADRP C[NH+]1CCN(c2ccccc2CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001328581373 1265582414 /nfs/dbraw/zinc/58/24/14/1265582414.db2.gz MRXGGJKMBDTRGM-UHFFFAOYSA-N 2 0 371.489 0.699 20 0 FCADRP CC(C)n1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997787163 1251707031 /nfs/dbraw/zinc/70/70/31/1251707031.db2.gz VOAFEFUKUHRZCH-GDBMZVCRSA-N 2 0 363.510 0.922 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC000998633838 1251934604 /nfs/dbraw/zinc/93/46/04/1251934604.db2.gz XUWDXACJVDQXFA-BGTYHANMSA-N 2 0 362.518 0.918 20 0 FCADRP C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC000998655427 1251942078 /nfs/dbraw/zinc/94/20/78/1251942078.db2.gz NBNJFSPHOGZQCT-QZWWFDLISA-N 2 0 360.502 0.671 20 0 FCADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2cncn2C1 ZINC001002829582 1252691775 /nfs/dbraw/zinc/69/17/75/1252691775.db2.gz HCIPKBRDACKJBI-AHCXZYCDSA-N 2 0 371.485 0.789 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001003152448 1252793654 /nfs/dbraw/zinc/79/36/54/1252793654.db2.gz ZPDNMADLAHZWJQ-HHARLNAUSA-N 2 0 360.502 0.671 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001329274521 1265723592 /nfs/dbraw/zinc/72/35/92/1265723592.db2.gz XZNGGHJKJPMMMS-UHFFFAOYSA-N 2 0 356.470 0.713 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001006184053 1253723116 /nfs/dbraw/zinc/72/31/16/1253723116.db2.gz MPVJYFNQJPMJJS-BHYGNILZSA-N 2 0 362.518 0.776 20 0 FCADRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)n1 ZINC001329483881 1265765760 /nfs/dbraw/zinc/76/57/60/1265765760.db2.gz XVJIATLVUOSFDI-CYBMUJFWSA-N 2 0 354.418 0.780 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001029742454 1253871211 /nfs/dbraw/zinc/87/12/11/1253871211.db2.gz TVNMJYWHRJPTLT-SOUVJXGZSA-N 2 0 364.494 0.119 20 0 FCADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842713 1265782765 /nfs/dbraw/zinc/78/27/65/1265782765.db2.gz ZESDSLCMKSESGG-KXBFYZLASA-N 2 0 358.486 0.970 20 0 FCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3nccn3C)C2)C[N@@H+]1C1CC1 ZINC001329645418 1265798104 /nfs/dbraw/zinc/79/81/04/1265798104.db2.gz SLEQEHVVZLCDDP-BZUAXINKSA-N 2 0 373.501 0.943 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647477 1265798746 /nfs/dbraw/zinc/79/87/46/1265798746.db2.gz OSARLSVRFMOPMG-CZUORRHYSA-N 2 0 372.469 0.798 20 0 FCADRP CC(=O)N(C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329647475 1265798979 /nfs/dbraw/zinc/79/89/79/1265798979.db2.gz OSARLSVRFMOPMG-BBRMVZONSA-N 2 0 372.469 0.798 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001034221051 1253982113 /nfs/dbraw/zinc/98/21/13/1253982113.db2.gz YNNPNRJHISTUGP-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@H]4CCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035187849 1254019101 /nfs/dbraw/zinc/01/91/01/1254019101.db2.gz IIHQVJNZRWYDCH-BBWFWOEESA-N 2 0 362.518 0.920 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCO2)CC1 ZINC001035370433 1254025945 /nfs/dbraw/zinc/02/59/45/1254025945.db2.gz LRRMBTOAHOHBGX-QRVBRYPASA-N 2 0 365.518 0.960 20 0 FCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001329678465 1265811586 /nfs/dbraw/zinc/81/15/86/1265811586.db2.gz GYTJSRMIYHKBHQ-XLNGHYISSA-N 2 0 366.506 0.317 20 0 FCADRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001329822965 1265861718 /nfs/dbraw/zinc/86/17/18/1265861718.db2.gz GLRQSYUXSCEPSI-UHFFFAOYSA-N 2 0 364.490 0.629 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001065206701 1254488584 /nfs/dbraw/zinc/48/85/84/1254488584.db2.gz NEAAWVHTUUGHSH-BZUAXINKSA-N 2 0 366.506 0.155 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001065210174 1254491820 /nfs/dbraw/zinc/49/18/20/1254491820.db2.gz BCWPFGHKNMCRCZ-IXDOHACOSA-N 2 0 366.506 0.156 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001065212896 1254495546 /nfs/dbraw/zinc/49/55/46/1254495546.db2.gz XVHWVQBHHFXDIK-YESZJQIVSA-N 2 0 368.522 0.402 20 0 FCADRP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@H+](C)CCN1C ZINC001520257755 1265890375 /nfs/dbraw/zinc/89/03/75/1265890375.db2.gz AAXCRMIPABIUJE-GOEBONIOSA-N 2 0 363.510 0.906 20 0 FCADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818482 1255018995 /nfs/dbraw/zinc/01/89/95/1255018995.db2.gz YEFOGRULBATIMV-ATZDWAIDSA-N 2 0 371.485 0.981 20 0 FCADRP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078012813 1255168614 /nfs/dbraw/zinc/16/86/14/1255168614.db2.gz BPUDYBPYCSNFEF-QZTJIDSGSA-N 2 0 358.486 0.510 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174504 1255287272 /nfs/dbraw/zinc/28/72/72/1255287272.db2.gz NKCKZCVZDVRNMO-RCCFBDPRSA-N 2 0 354.454 0.848 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174623 1255287988 /nfs/dbraw/zinc/28/79/88/1255287988.db2.gz QNALSHOTSIDRSV-QXAKKESOSA-N 2 0 369.469 0.485 20 0 FCADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)o1 ZINC001078261905 1255368740 /nfs/dbraw/zinc/36/87/40/1255368740.db2.gz JQZLFSMZWXHHHA-USXIJHARSA-N 2 0 365.474 0.933 20 0 FCADRP Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078403755 1255407434 /nfs/dbraw/zinc/40/74/34/1255407434.db2.gz HSIUQYOMWMFRSI-IXDOHACOSA-N 2 0 361.490 0.832 20 0 FCADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405491 1255408300 /nfs/dbraw/zinc/40/83/00/1255408300.db2.gz OXKIDTAXSRQVIF-DJIMGWMZSA-N 2 0 364.494 0.345 20 0 FCADRP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)ncn1 ZINC001078405520 1255408665 /nfs/dbraw/zinc/40/86/65/1255408665.db2.gz PTTOCLSFMRZQKS-KBAYOESNSA-N 2 0 361.490 0.832 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001078404202 1255408983 /nfs/dbraw/zinc/40/89/83/1255408983.db2.gz UZQMTFALGWZZKD-FGTMMUONSA-N 2 0 363.506 0.858 20 0 FCADRP COCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001079160640 1255463451 /nfs/dbraw/zinc/46/34/51/1255463451.db2.gz CWIWOWKBRKMACL-IAGOWNOFSA-N 2 0 368.522 0.404 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079198897 1255470637 /nfs/dbraw/zinc/47/06/37/1255470637.db2.gz XSQZGPWELCGDSM-RRQGHBQHSA-N 2 0 362.449 0.679 20 0 FCADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079260960 1255492330 /nfs/dbraw/zinc/49/23/30/1255492330.db2.gz YABYTHNYEHNTED-OKZBNKHCSA-N 2 0 365.518 0.793 20 0 FCADRP O=C(N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)[C@@]12CC[N@H+](C1)CCC2 ZINC001079270935 1255495870 /nfs/dbraw/zinc/49/58/70/1255495870.db2.gz CNXLIKIDPADMCH-QKLQHJQFSA-N 2 0 363.502 0.404 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001079295720 1255501957 /nfs/dbraw/zinc/50/19/57/1255501957.db2.gz QGUZVWJLGBURMU-LNCBFAARSA-N 2 0 362.449 0.535 20 0 FCADRP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037634 1255720815 /nfs/dbraw/zinc/72/08/15/1255720815.db2.gz PNIZSBPIRRRKJZ-BRWVUGGUSA-N 2 0 362.518 0.968 20 0 FCADRP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161044 1255766441 /nfs/dbraw/zinc/76/64/41/1255766441.db2.gz KFKLQXJIWXGSSH-LOFRJYDISA-N 2 0 363.502 0.855 20 0 FCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754135 1256018818 /nfs/dbraw/zinc/01/88/18/1256018818.db2.gz AMQLJTPTXGTUDY-ZTFGCOKTSA-N 2 0 362.518 0.824 20 0 FCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754395 1256019286 /nfs/dbraw/zinc/01/92/86/1256019286.db2.gz KHYXYJPBTAKUEV-CRAIPNDOSA-N 2 0 360.506 0.837 20 0 FCADRP CC[NH+](CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080868835 1256063653 /nfs/dbraw/zinc/06/36/53/1256063653.db2.gz NXMOIRZHRCYRJU-HZPDHXFCSA-N 2 0 368.522 0.138 20 0 FCADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213949 1256207916 /nfs/dbraw/zinc/20/79/16/1256207916.db2.gz XCBCKOQHENRFHD-BHYGNILZSA-N 2 0 356.470 0.540 20 0 FCADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227096 1256211862 /nfs/dbraw/zinc/21/18/62/1256211862.db2.gz PWKJBZZYIAODAE-NZSAHSFTSA-N 2 0 368.485 0.851 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081228839 1256213021 /nfs/dbraw/zinc/21/30/21/1256213021.db2.gz CLUNPZRLVDPCEK-RBUKOAKNSA-N 2 0 368.485 0.958 20 0 FCADRP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081694092 1256336636 /nfs/dbraw/zinc/33/66/36/1256336636.db2.gz JOPGTYZEFCFBDW-VDHUWJSZSA-N 2 0 363.506 0.601 20 0 FCADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081788497 1256368221 /nfs/dbraw/zinc/36/82/21/1256368221.db2.gz RCEGPYFOFGYXQU-KZNAEPCWSA-N 2 0 363.506 0.676 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082097159 1256532953 /nfs/dbraw/zinc/53/29/53/1256532953.db2.gz YLYYOMNEGBETSN-IAGOWNOFSA-N 2 0 366.506 0.156 20 0 FCADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133817 1256550212 /nfs/dbraw/zinc/55/02/12/1256550212.db2.gz RBNMJSZPCXVEOV-GVDBMIGSSA-N 2 0 366.506 0.299 20 0 FCADRP [NH3+]CCc1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001330527383 1266050340 /nfs/dbraw/zinc/05/03/40/1266050340.db2.gz FQONXKZXSLNKHN-GOSISDBHSA-N 2 0 374.485 0.174 20 0 FCADRP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515661 1256800462 /nfs/dbraw/zinc/80/04/62/1256800462.db2.gz UJVASELUXSZAPD-KBRIMQKVSA-N 2 0 360.506 0.885 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082515416 1256800790 /nfs/dbraw/zinc/80/07/90/1256800790.db2.gz NGIBOYSEPIEQSB-FHLIZLRMSA-N 2 0 358.486 0.664 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1)[NH+](C)C ZINC001082589334 1256901832 /nfs/dbraw/zinc/90/18/32/1256901832.db2.gz WNDRRKWOLUPXHZ-RBSFLKMASA-N 2 0 365.526 0.747 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082636935 1256944064 /nfs/dbraw/zinc/94/40/64/1256944064.db2.gz ASGSSFHOSRQLRQ-FRFSOERESA-N 2 0 368.441 0.548 20 0 FCADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082645563 1256950497 /nfs/dbraw/zinc/95/04/97/1256950497.db2.gz IZAIZOQYSGWYHJ-RHSMWYFYSA-N 2 0 371.441 0.243 20 0 FCADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653353 1256957016 /nfs/dbraw/zinc/95/70/16/1256957016.db2.gz GWGIFPNBZLUUSL-YFCUKEQTSA-N 2 0 360.458 0.783 20 0 FCADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)on1 ZINC001082653543 1256957414 /nfs/dbraw/zinc/95/74/14/1256957414.db2.gz PXHAIYDCPHBTLL-MESWHDRRSA-N 2 0 360.458 0.783 20 0 FCADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082653479 1256957861 /nfs/dbraw/zinc/95/78/61/1256957861.db2.gz MPTYNPWVAOWGEL-LOFRJYDISA-N 2 0 356.470 0.881 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1=O ZINC001082742521 1257023906 /nfs/dbraw/zinc/02/39/06/1257023906.db2.gz IQCRECABPNUGQX-IIAWOOMASA-N 2 0 363.458 0.927 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082743140 1257024385 /nfs/dbraw/zinc/02/43/85/1257024385.db2.gz KJEVGKRELWLGHU-HUUCEWRRSA-N 2 0 364.490 0.304 20 0 FCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082742768 1257024558 /nfs/dbraw/zinc/02/45/58/1257024558.db2.gz RAOYBIOHSDZNJU-DDUZABMNSA-N 2 0 366.485 0.964 20 0 FCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082783728 1257048049 /nfs/dbraw/zinc/04/80/49/1257048049.db2.gz LXEGDPLNHDPCII-DJIMGWMZSA-N 2 0 360.506 0.934 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+]1CCCCCC1 ZINC001082783014 1257048721 /nfs/dbraw/zinc/04/87/21/1257048721.db2.gz WKXHYWBZTSXMIX-BRWVUGGUSA-N 2 0 365.522 0.713 20 0 FCADRP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082828815 1257086147 /nfs/dbraw/zinc/08/61/47/1257086147.db2.gz KCGNOSKQUNLAKE-HYVNUMGLSA-N 2 0 366.506 0.155 20 0 FCADRP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861511 1257112830 /nfs/dbraw/zinc/11/28/30/1257112830.db2.gz DKMGGNVWPUBADC-IJEWVQPXSA-N 2 0 363.458 0.927 20 0 FCADRP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)C1=O ZINC001082864783 1257114770 /nfs/dbraw/zinc/11/47/70/1257114770.db2.gz KCUSGKWSWRUGTF-FVQBIDKESA-N 2 0 359.474 0.819 20 0 FCADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001082923544 1257148382 /nfs/dbraw/zinc/14/83/82/1257148382.db2.gz ODHXRWQRVGYORV-IIDMSEBBSA-N 2 0 361.490 0.690 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082943322 1257160700 /nfs/dbraw/zinc/16/07/00/1257160700.db2.gz DOLUEKWFOCFTFU-BZUAXINKSA-N 2 0 364.490 0.446 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083085754 1257287863 /nfs/dbraw/zinc/28/78/63/1257287863.db2.gz JOWKTCNWDFOINZ-NRSFXHEJSA-N 2 0 361.490 0.214 20 0 FCADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC001330929828 1266117851 /nfs/dbraw/zinc/11/78/51/1266117851.db2.gz BFEHQOSDEXAVHQ-DLBZAZTESA-N 2 0 360.458 0.426 20 0 FCADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083783161 1257530054 /nfs/dbraw/zinc/53/00/54/1257530054.db2.gz CNBOJKLSGRFKOE-UHOSZYNNSA-N 2 0 361.486 0.602 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001521447315 1266123081 /nfs/dbraw/zinc/12/30/81/1266123081.db2.gz ZKTOCJRHFGXEAL-INIZCTEOSA-N 2 0 370.563 0.954 20 0 FCADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H](O)C2)c1 ZINC001083850900 1257606667 /nfs/dbraw/zinc/60/66/67/1257606667.db2.gz AYTRYXABRWVRNY-MOPGFXCFSA-N 2 0 371.485 0.728 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)cn1 ZINC001083850950 1257609240 /nfs/dbraw/zinc/60/92/40/1257609240.db2.gz DPQCJNDIPDXYDU-MOPGFXCFSA-N 2 0 371.485 0.462 20 0 FCADRP CC[NH+]1CCN(CCCNC(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001521504580 1266127963 /nfs/dbraw/zinc/12/79/63/1266127963.db2.gz YNSIBQJWJFBSME-FQEVSTJZSA-N 2 0 360.502 0.939 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)CC1 ZINC001083908537 1257687650 /nfs/dbraw/zinc/68/76/50/1257687650.db2.gz JJIMDNVMWUPLNC-MSOLQXFVSA-N 2 0 363.506 0.244 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231135 1257977688 /nfs/dbraw/zinc/97/76/88/1257977688.db2.gz USMXATHFTUXMJN-FGTMMUONSA-N 2 0 356.470 0.912 20 0 FCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001331134544 1266154558 /nfs/dbraw/zinc/15/45/58/1266154558.db2.gz PZNLBIMSGLOTSS-ZWKOTPCHSA-N 2 0 358.486 0.808 20 0 FCADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001084404987 1258084418 /nfs/dbraw/zinc/08/44/18/1258084418.db2.gz VJOACQUVYBGLJF-BRWVUGGUSA-N 2 0 361.490 0.261 20 0 FCADRP C/C(=C/C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001521676976 1266162253 /nfs/dbraw/zinc/16/22/53/1266162253.db2.gz NHQPBVAHBBGEQA-BWOXLJFGSA-N 2 0 374.529 0.753 20 0 FCADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)C1CC1 ZINC001084958826 1258469151 /nfs/dbraw/zinc/46/91/51/1258469151.db2.gz XTHIINHYBXOSAC-HYVNUMGLSA-N 2 0 363.506 0.275 20 0 FCADRP O=C(N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001084980780 1258493180 /nfs/dbraw/zinc/49/31/80/1258493180.db2.gz ZFJGRAWZTRNMSK-SJORKVTESA-N 2 0 358.490 0.829 20 0 FCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032727 1258534849 /nfs/dbraw/zinc/53/48/49/1258534849.db2.gz WUDABGAPOZOLQV-JZXOWHBKSA-N 2 0 362.518 0.872 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093354 1258587552 /nfs/dbraw/zinc/58/75/52/1258587552.db2.gz UPNPRRYGLFOUBJ-KURKYZTESA-N 2 0 362.518 0.873 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001521859260 1266195104 /nfs/dbraw/zinc/19/51/04/1266195104.db2.gz VYVRCAHYCYGEEK-INIZCTEOSA-N 2 0 353.511 0.762 20 0 FCADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085198696 1258628535 /nfs/dbraw/zinc/62/85/35/1258628535.db2.gz GIXQNSHUROIXEM-RCCFBDPRSA-N 2 0 362.518 0.968 20 0 FCADRP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086734599 1258633260 /nfs/dbraw/zinc/63/32/60/1258633260.db2.gz MINRQQZYBMEIBP-ARFHVFGLSA-N 2 0 363.510 0.942 20 0 FCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172148 1258692630 /nfs/dbraw/zinc/69/26/30/1258692630.db2.gz YEXGEOMTYRIIIZ-IKGGRYGDSA-N 2 0 360.502 0.483 20 0 FCADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088201421 1258723471 /nfs/dbraw/zinc/72/34/71/1258723471.db2.gz BLMSDNCHECBJHL-MSOLQXFVSA-N 2 0 362.518 0.875 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088212873 1258736812 /nfs/dbraw/zinc/73/68/12/1258736812.db2.gz YAAWBNGISSAIKS-AOIWGVFYSA-N 2 0 364.534 0.975 20 0 FCADRP CN1CCN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC001331450845 1266218219 /nfs/dbraw/zinc/21/82/19/1266218219.db2.gz NNLPSBVZKZSTBW-KRWDZBQOSA-N 2 0 360.506 0.223 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001106623118 1258928994 /nfs/dbraw/zinc/92/89/94/1258928994.db2.gz HYKVPXOMDWHWPW-HZPDHXFCSA-N 2 0 364.490 0.874 20 0 FCADRP CCOCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623153 1258929666 /nfs/dbraw/zinc/92/96/66/1258929666.db2.gz JTCFLDAYKAEDML-BRWVUGGUSA-N 2 0 370.538 0.554 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001106626747 1258930257 /nfs/dbraw/zinc/93/02/57/1258930257.db2.gz KHTRNOHMLFBMGY-HUUCEWRRSA-N 2 0 365.526 0.606 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1)[NH+](CC)CC ZINC001106660270 1258935276 /nfs/dbraw/zinc/93/52/76/1258935276.db2.gz ICRMQFCPPLBUIN-KFWWJZLASA-N 2 0 369.510 0.247 20 0 FCADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663213 1258936079 /nfs/dbraw/zinc/93/60/79/1258936079.db2.gz WUUJQOKDEAINIP-BRWVUGGUSA-N 2 0 368.522 0.308 20 0 FCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106672287 1258938359 /nfs/dbraw/zinc/93/83/59/1258938359.db2.gz OHZTUXJCVLIYCU-ZIAGYGMSSA-N 2 0 366.510 0.270 20 0 FCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001331477878 1266222840 /nfs/dbraw/zinc/22/28/40/1266222840.db2.gz JFKBJPJWBFPFLS-AWEZNQCLSA-N 2 0 355.446 0.949 20 0 FCADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)C(C)C ZINC001106778136 1258961466 /nfs/dbraw/zinc/96/14/66/1258961466.db2.gz ARDAJROFNYRAIV-INMHGKMJSA-N 2 0 365.526 0.761 20 0 FCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC001106778250 1258961596 /nfs/dbraw/zinc/96/15/96/1258961596.db2.gz AQZQZDWYLQPQSP-UKRRQHHQSA-N 2 0 365.478 0.947 20 0 FCADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)C(C)C ZINC001106778135 1258961630 /nfs/dbraw/zinc/96/16/30/1258961630.db2.gz ARDAJROFNYRAIV-BFYDXBDKSA-N 2 0 365.526 0.761 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106903981 1258993433 /nfs/dbraw/zinc/99/34/33/1258993433.db2.gz UKPIIASMVRSFMB-HZPDHXFCSA-N 2 0 366.506 0.551 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)on1 ZINC001106984255 1259011685 /nfs/dbraw/zinc/01/16/85/1259011685.db2.gz FLVVVQCLMIQGIM-UKRRQHHQSA-N 2 0 363.462 0.701 20 0 FCADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107524302 1259107857 /nfs/dbraw/zinc/10/78/57/1259107857.db2.gz RPCUJWXVWWBSAU-VQIMIIECSA-N 2 0 365.522 0.714 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530715 1259108871 /nfs/dbraw/zinc/10/88/71/1259108871.db2.gz HYTUNAQTGRJZKI-RDTXWAMCSA-N 2 0 367.494 0.145 20 0 FCADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530659 1259109033 /nfs/dbraw/zinc/10/90/33/1259109033.db2.gz FJUUJQHBPKYLSD-ZHALLVOQSA-N 2 0 371.522 0.323 20 0 FCADRP Cn1nccc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609426 1259131871 /nfs/dbraw/zinc/13/18/71/1259131871.db2.gz RGBSBEZLCFUGFW-IEBWSBKVSA-N 2 0 363.506 0.859 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@@H+]1C ZINC001127639229 1259182469 /nfs/dbraw/zinc/18/24/69/1259182469.db2.gz WPGNXSCGTNJZPB-HUUCEWRRSA-N 2 0 357.458 0.443 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCOCCC(C)C)CC[N@@H+]1C ZINC001127706638 1259184729 /nfs/dbraw/zinc/18/47/29/1259184729.db2.gz POGRYZAIPVNESV-DLBZAZTESA-N 2 0 370.538 0.601 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129205289 1259344331 /nfs/dbraw/zinc/34/43/31/1259344331.db2.gz SEKQJDLMUQUTHT-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204801 1259344798 /nfs/dbraw/zinc/34/47/98/1259344798.db2.gz KEQSTPFPDNEJDM-ZACQAIPSSA-N 2 0 364.494 0.388 20 0 FCADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228479 1259351318 /nfs/dbraw/zinc/35/13/18/1259351318.db2.gz URMLKWDUSCAYCF-ZACQAIPSSA-N 2 0 364.494 0.531 20 0 FCADRP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263043 1259358819 /nfs/dbraw/zinc/35/88/19/1259358819.db2.gz ZEYZPABVWUCFFR-BBWFWOEESA-N 2 0 364.494 0.531 20 0 FCADRP CC(C)[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129265726 1259359175 /nfs/dbraw/zinc/35/91/75/1259359175.db2.gz CLXJEYMUDSDIRJ-BBWFWOEESA-N 2 0 364.494 0.529 20 0 FCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266743 1259359325 /nfs/dbraw/zinc/35/93/25/1259359325.db2.gz PZLGNAZSZMMIIY-BBWFWOEESA-N 2 0 364.494 0.388 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)CC[N@@H+]1C ZINC001200556281 1259418193 /nfs/dbraw/zinc/41/81/93/1259418193.db2.gz XACDZNIGQVPQQJ-YESZJQIVSA-N 2 0 364.494 0.216 20 0 FCADRP [NH3+]CC(=O)N[C@@H](CO)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001211958876 1259432091 /nfs/dbraw/zinc/43/20/91/1259432091.db2.gz NRAPEFQAJRGZEY-NEXMIYJRSA-N 2 0 358.402 0.306 20 0 FCADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408095 1259493343 /nfs/dbraw/zinc/49/33/43/1259493343.db2.gz LZZJIUDIEDUFRB-BRWVUGGUSA-N 2 0 369.506 0.482 20 0 FCADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416831 1259496701 /nfs/dbraw/zinc/49/67/01/1259496701.db2.gz UHUHEFXIPMZMLC-USXIJHARSA-N 2 0 366.506 0.202 20 0 FCADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430852 1259502232 /nfs/dbraw/zinc/50/22/32/1259502232.db2.gz ZADMUORJQOGTEF-KBAYOESNSA-N 2 0 363.506 0.652 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536228 1259534755 /nfs/dbraw/zinc/53/47/55/1259534755.db2.gz NHSYSPAZZJLXQB-RBSFLKMASA-N 2 0 367.494 0.143 20 0 FCADRP O=C1CCC[C@]2(C[NH2+]CCN(Cc3ccccc3N3CC[NH2+]CC3)C2)N1 ZINC001235185338 1259567665 /nfs/dbraw/zinc/56/76/65/1259567665.db2.gz RQFFYPVQQGWEAD-HXUWFJFHSA-N 2 0 357.502 0.540 20 0 FCADRP c1cc(CN2CC[NH2+]CC2)cc(CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198153 1259569333 /nfs/dbraw/zinc/56/93/33/1259569333.db2.gz CQRGOBNYYZTDTG-NRFANRHFSA-N 2 0 374.529 0.673 20 0 FCADRP C[C@@H]([NH3+])CN1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001235490347 1259574066 /nfs/dbraw/zinc/57/40/66/1259574066.db2.gz MAKPXCAAJKZTDI-OXQOHEQNSA-N 2 0 357.502 0.833 20 0 FCADRP Cc1ncn(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001235543947 1259575325 /nfs/dbraw/zinc/57/53/25/1259575325.db2.gz UIEWZHFHKBIVMT-UHFFFAOYSA-N 2 0 363.506 0.731 20 0 FCADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001235775158 1259581821 /nfs/dbraw/zinc/58/18/21/1259581821.db2.gz RIGRZYCYAKNEPQ-JKSUJKDBSA-N 2 0 372.473 0.519 20 0 FCADRP CCOc1cc(C(=O)OC)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869068 1259582162 /nfs/dbraw/zinc/58/21/62/1259582162.db2.gz JDPRPTYMABFNPY-UHFFFAOYSA-N 2 0 364.490 0.456 20 0 FCADRP C[NH+](C)CCCOc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235871604 1259582529 /nfs/dbraw/zinc/58/25/29/1259582529.db2.gz VFZCRJRNERUZAM-UHFFFAOYSA-N 3 0 363.550 0.602 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cn(-c4cnccn4)cn3)C[C@H]1C2 ZINC001236036223 1259587699 /nfs/dbraw/zinc/58/76/99/1259587699.db2.gz UAAHZQRXYLPANO-DEWZPKMOSA-N 2 0 368.441 0.493 20 0 FCADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(OC)c1OC ZINC001236307343 1259589289 /nfs/dbraw/zinc/58/92/89/1259589289.db2.gz AQROVDJROGEHGV-UHFFFAOYSA-N 2 0 368.478 0.328 20 0 FCADRP CC1(C)O[C@@H]2O[C@@H](C[N@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)[C@@H](O)[C@@H]2O1 ZINC001236552266 1259590485 /nfs/dbraw/zinc/59/04/85/1259590485.db2.gz FXVBEOIORXBCRQ-CHMHSJMSSA-N 2 0 370.490 0.975 20 0 FCADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1cccc(C(=O)NCC[NH3+])c1)CC2 ZINC001237065407 1259594441 /nfs/dbraw/zinc/59/44/41/1259594441.db2.gz UUSZOOHBSUXAEN-LPHOPBHVSA-N 2 0 360.458 0.102 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333772 1259609791 /nfs/dbraw/zinc/60/97/91/1259609791.db2.gz NOXDXHOLCALAOH-IRXDYDNUSA-N 2 0 368.522 0.801 20 0 FCADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001335346383 1259618588 /nfs/dbraw/zinc/61/85/88/1259618588.db2.gz WZOXLFAHVMIYNV-KRWDZBQOSA-N 2 0 370.538 0.831 20 0 FCADRP [NH3+]CCCC[NH2+]CCCNC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1 ZINC001239253143 1259623017 /nfs/dbraw/zinc/62/30/17/1259623017.db2.gz PDXRTAIBYFRVDO-UHFFFAOYSA-N 2 0 359.430 0.956 20 0 FCADRP C[NH+]1CCN(c2nccnc2-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC001240119452 1259625882 /nfs/dbraw/zinc/62/58/82/1259625882.db2.gz MNFYZXINJYJWGJ-UHFFFAOYSA-N 2 0 366.469 0.941 20 0 FCADRP O=C(c1cccnc1-c1ccc(N2CC[NH2+]CC2)nc1)N1CC[NH2+]CC1 ZINC001240486348 1259627657 /nfs/dbraw/zinc/62/76/57/1259627657.db2.gz CYAKZSBWABVGQE-UHFFFAOYSA-N 2 0 352.442 0.599 20 0 FCADRP CCOC(=O)C[C@@]1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]C1 ZINC001245979383 1259642254 /nfs/dbraw/zinc/64/22/54/1259642254.db2.gz IVHHBARYFUBNJT-JZXOWHBKSA-N 2 0 371.428 0.470 20 0 FCADRP O[C@@H](C[NH2+]C1(Cc2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245996384 1259644003 /nfs/dbraw/zinc/64/40/03/1259644003.db2.gz AJTTZGRWAQYBMX-GOSISDBHSA-N 3 0 365.493 0.946 20 0 FCADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246030416 1259645190 /nfs/dbraw/zinc/64/51/90/1259645190.db2.gz YFZSOIBFOMPOKD-OTWHNJEPSA-N 2 0 369.456 0.898 20 0 FCADRP COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246185051 1259650122 /nfs/dbraw/zinc/65/01/22/1259650122.db2.gz QUFPLNKKYDSYPU-KRWDZBQOSA-N 2 0 358.486 0.983 20 0 FCADRP CCC(CC)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC ZINC001246516792 1259654774 /nfs/dbraw/zinc/65/47/74/1259654774.db2.gz ZYUBEXFXTWRJIL-GJZGRUSLSA-N 2 0 370.542 0.673 20 0 FCADRP CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246480380 1259654844 /nfs/dbraw/zinc/65/48/44/1259654844.db2.gz FZDPVSPBQNAUMA-JYJNAYRXSA-N 2 0 367.538 0.101 20 0 FCADRP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605577 1259656808 /nfs/dbraw/zinc/65/68/08/1259656808.db2.gz VGBGVZWWVKNHLU-OWCLPIDISA-N 2 0 367.490 0.677 20 0 FCADRP COc1ccc(CN2CC[C@H]([N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246585104 1259657260 /nfs/dbraw/zinc/65/72/60/1259657260.db2.gz OGWVKUMTICDRSA-ZOBUZTSGSA-N 2 0 363.458 0.446 20 0 FCADRP CCOC(=O)[C@@H]1CCCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679930 1259659201 /nfs/dbraw/zinc/65/92/01/1259659201.db2.gz RDKCEXWIVPOJMB-AEFFLSMTSA-N 2 0 364.534 0.820 20 0 FCADRP O=C([C@@H]1CO[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1)N1CCCC1 ZINC001246694225 1259661791 /nfs/dbraw/zinc/66/17/91/1259661791.db2.gz MUNAWEPGWYJIRC-XLAORIBOSA-N 2 0 362.518 0.430 20 0 FCADRP c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)ccn1 ZINC001246697857 1259662366 /nfs/dbraw/zinc/66/23/66/1259662366.db2.gz SHFKHRIDJWTICL-FCGDIQPGSA-N 2 0 358.486 0.924 20 0 FCADRP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001246696866 1259662636 /nfs/dbraw/zinc/66/26/36/1259662636.db2.gz RTJQSLBRYGQAMC-MRXNPFEDSA-N 2 0 374.533 0.968 20 0 FCADRP O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711067 1259666781 /nfs/dbraw/zinc/66/67/81/1259666781.db2.gz YZCCVLXFNAJOIW-WRWLIDTKSA-N 2 0 374.485 0.471 20 0 FCADRP CC[C@@H]1[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246719957 1259668918 /nfs/dbraw/zinc/66/89/18/1259668918.db2.gz LHUVMFJNKUOAQA-UWVAXJGDSA-N 2 0 364.534 0.962 20 0 FCADRP c1cnc(N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246724116 1259671184 /nfs/dbraw/zinc/67/11/84/1259671184.db2.gz VTCZRZISBIDTLO-QAETUUGQSA-N 2 0 358.490 0.002 20 0 FCADRP O=C(c1cnccn1)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737818 1259672166 /nfs/dbraw/zinc/67/21/66/1259672166.db2.gz KATDAMZNBXTZLE-LPHOPBHVSA-N 2 0 370.501 0.499 20 0 FCADRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737596 1259672283 /nfs/dbraw/zinc/67/22/83/1259672283.db2.gz JLWGXBMQIBGTOX-YRXWBPOGSA-N 2 0 373.549 0.545 20 0 FCADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740571 1259674036 /nfs/dbraw/zinc/67/40/36/1259674036.db2.gz MTPOFOZSARAIMT-QRIFCXAISA-N 2 0 359.474 0.684 20 0 FCADRP O=C(C[C@H]1OC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NCC1CC1 ZINC001246738526 1259674219 /nfs/dbraw/zinc/67/42/19/1259674219.db2.gz MOFLDYLDGVOKNI-BRSBDYLESA-N 2 0 362.518 0.334 20 0 FCADRP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001335478442 1259678425 /nfs/dbraw/zinc/67/84/25/1259678425.db2.gz SICUCWWYKKFGPZ-SFHVURJKSA-N 2 0 351.495 0.467 20 0 FCADRP c1ccc(COC[C@]23COC[C@H]2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246757795 1259682808 /nfs/dbraw/zinc/68/28/08/1259682808.db2.gz RTASKKHNPCXJDK-QRQLOZEOSA-N 2 0 358.486 0.641 20 0 FCADRP c1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1ccccn1)C2 ZINC001246763384 1259683703 /nfs/dbraw/zinc/68/37/03/1259683703.db2.gz BWEGRHNYBQFKIJ-DLBZAZTESA-N 2 0 368.485 0.883 20 0 FCADRP c1cncc(COC[C@]23COC[C@H]2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246763919 1259684859 /nfs/dbraw/zinc/68/48/59/1259684859.db2.gz CSRPWHVQIGGRFN-GUDVDZBRSA-N 2 0 358.486 0.641 20 0 FCADRP COCCOc1cccc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246885789 1259692141 /nfs/dbraw/zinc/69/21/41/1259692141.db2.gz HOLRFUJEAGQDGY-SFHVURJKSA-N 2 0 360.502 0.928 20 0 FCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856596 1259693647 /nfs/dbraw/zinc/69/36/47/1259693647.db2.gz FHNMVGSNRUQDOG-DBDULZNHSA-N 2 0 360.462 0.487 20 0 FCADRP CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335520630 1259695656 /nfs/dbraw/zinc/69/56/56/1259695656.db2.gz HUNARPMKMNDWFS-CWRNSKLLSA-N 2 0 351.495 0.463 20 0 FCADRP COC(=O)C1C[C@@H]2CC(N3CC[C@]4(C(=O)OC)CC[NH2+][C@@H]4C3)C[C@H](C1)[NH2+]2 ZINC001246988707 1259696878 /nfs/dbraw/zinc/69/68/78/1259696878.db2.gz PXKLHJFAPOMOQD-MENOAGFCSA-N 2 0 365.474 0.286 20 0 FCADRP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3NC(=O)CC34C[NH2+]C4)n2)CC1 ZINC001247873315 1259706684 /nfs/dbraw/zinc/70/66/84/1259706684.db2.gz ZLEMCDUTTGFSJH-MRXNPFEDSA-N 2 0 368.441 0.639 20 0 FCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001335554947 1259714029 /nfs/dbraw/zinc/71/40/29/1259714029.db2.gz PRYTXOBGCMMAPM-QLFBSQMISA-N 2 0 371.407 0.746 20 0 FCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335566837 1259720056 /nfs/dbraw/zinc/72/00/56/1259720056.db2.gz ARWBMXPLAGIVCO-DARIXABFSA-N 3 0 361.534 0.985 20 0 FCADRP COCC1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC[NH2+]CC1 ZINC001335594954 1259733238 /nfs/dbraw/zinc/73/32/38/1259733238.db2.gz DCZKALBGESXEGH-CABCVRRESA-N 2 0 356.536 0.882 20 0 FCADRP Cc1ccc(NCCNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)nc1 ZINC001335646903 1259762517 /nfs/dbraw/zinc/76/25/17/1259762517.db2.gz ZQSFQGDTMOBADS-OAHLLOKOSA-N 2 0 360.462 0.408 20 0 FCADRP CN1CCC([NH+]2CCC(NC(=O)N3CCC(NC(N)=O)CC3)CC2)CC1 ZINC001252843332 1259809189 /nfs/dbraw/zinc/80/91/89/1259809189.db2.gz QJSHFMZXPKPDRP-UHFFFAOYSA-N 2 0 366.510 0.387 20 0 FCADRP C[NH+](C)CCN1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931272 1259814006 /nfs/dbraw/zinc/81/40/06/1259814006.db2.gz JIWCGZYCINJWBX-OAQYLSRUSA-N 3 0 374.529 0.719 20 0 FCADRP COC(=O)[C@H](Cc1c[nH]cn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943230 1259814120 /nfs/dbraw/zinc/81/41/20/1259814120.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 0 358.442 0.720 20 0 FCADRP CC[NH+](CC)C[C@H](O)CN1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253182389 1259827762 /nfs/dbraw/zinc/82/77/62/1259827762.db2.gz ORDVMYXONSZZGQ-SFHVURJKSA-N 2 0 364.534 0.513 20 0 FCADRP CC[NH+](CC)C[C@@H](O)CN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001253185050 1259828021 /nfs/dbraw/zinc/82/80/21/1259828021.db2.gz NMTPZMBJKDSITI-CQSZACIVSA-N 2 0 367.494 0.027 20 0 FCADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001253185295 1259828124 /nfs/dbraw/zinc/82/81/24/1259828124.db2.gz FBNQHUUABORCKR-YRXWBPOGSA-N 2 0 367.534 0.800 20 0 FCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)[C@H]2CCCOC2)C1 ZINC001254368285 1259879163 /nfs/dbraw/zinc/87/91/63/1259879163.db2.gz OIRJGHDRKSVYTN-UXJCHEOYSA-N 2 0 373.538 0.934 20 0 FCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518817 1259887288 /nfs/dbraw/zinc/88/72/88/1259887288.db2.gz PGUUJTCMHKDVIY-SFHVURJKSA-N 3 0 365.566 0.641 20 0 FCADRP C[NH+]1CCN(CC[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001335893943 1259888618 /nfs/dbraw/zinc/88/86/18/1259888618.db2.gz XWWSOBHPBHWFJE-LJQANCHMSA-N 2 0 370.538 0.976 20 0 FCADRP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001255433369 1259912767 /nfs/dbraw/zinc/91/27/67/1259912767.db2.gz IDCCWHMCZBNSIJ-HNNXBMFYSA-N 2 0 370.505 0.596 20 0 FCADRP C[N@@H+]1CC[C@H](N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)C1 ZINC001255434893 1259913566 /nfs/dbraw/zinc/91/35/66/1259913566.db2.gz WYNXSWRPIVNTLI-IBGZPJMESA-N 2 0 364.534 0.726 20 0 FCADRP CN(C)C(=O)CO[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H]2COC[C@H]12 ZINC001256860172 1259976530 /nfs/dbraw/zinc/97/65/30/1259976530.db2.gz WSHLZQQYWBBYBH-IPMKNSEASA-N 2 0 374.485 0.854 20 0 FCADRP CC(C)[NH+]1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001257217302 1260002652 /nfs/dbraw/zinc/00/26/52/1260002652.db2.gz LXQFSPLXYQPZEH-UAGQMJEPSA-N 2 0 359.536 0.888 20 0 FCADRP CN(CCN1CCOC(C)(C)C1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336176022 1260026647 /nfs/dbraw/zinc/02/66/47/1260026647.db2.gz NZRKPNBUMARKFW-MRXNPFEDSA-N 2 0 368.522 0.897 20 0 FCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257724694 1260026868 /nfs/dbraw/zinc/02/68/68/1260026868.db2.gz SFXYYQHERGPXIP-VZFRYEQISA-N 2 0 372.462 0.432 20 0 FCADRP CCOC(=O)CC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491711 1260053995 /nfs/dbraw/zinc/05/39/95/1260053995.db2.gz LNRFXWJADOIMJK-GVDBMIGSSA-N 2 0 369.506 0.829 20 0 FCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270981 1260064405 /nfs/dbraw/zinc/06/44/05/1260064405.db2.gz IBAUGCVIAWQKGH-QOKNQOGYSA-N 2 0 360.458 0.608 20 0 FCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001261383030 1260130770 /nfs/dbraw/zinc/13/07/70/1260130770.db2.gz BVIIERPLUSRWAE-OAHLLOKOSA-N 2 0 374.485 0.473 20 0 FCADRP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC001331973664 1266310867 /nfs/dbraw/zinc/31/08/67/1266310867.db2.gz QQWHSJOQMVVDMR-TVFCKZIOSA-N 2 0 364.534 0.929 20 0 FCADRP c1nc(N2CC[NH+](CC3CC3)CC2)nc(N2CC[NH+](CC3CC3)CC2)n1 ZINC001336473864 1260141567 /nfs/dbraw/zinc/14/15/67/1260141567.db2.gz QZZNELOTUDJFFO-UHFFFAOYSA-N 2 0 357.506 0.936 20 0 FCADRP O=C(CCCCC(=O)N[C@H]1C[NH+]2CCC1CC2)N[C@H]1C[NH+]2CCC1CC2 ZINC001336614634 1260184652 /nfs/dbraw/zinc/18/46/52/1260184652.db2.gz IUIYJSWHKHTKSK-ROUUACIJSA-N 2 0 362.518 0.968 20 0 FCADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC001332034184 1266319802 /nfs/dbraw/zinc/31/98/02/1266319802.db2.gz COCOTMMQCRUPCM-AEFFLSMTSA-N 2 0 374.485 0.578 20 0 FCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001336733953 1260211026 /nfs/dbraw/zinc/21/10/26/1260211026.db2.gz DBFZCAXZPSPPCB-DLBZAZTESA-N 2 0 367.538 0.947 20 0 FCADRP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001336749644 1260213423 /nfs/dbraw/zinc/21/34/23/1260213423.db2.gz FVICAUCCLLIIRT-SJLPKXTDSA-N 2 0 351.491 0.798 20 0 FCADRP CCOC(=O)c1cnccc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262030779 1260247949 /nfs/dbraw/zinc/24/79/49/1260247949.db2.gz WIRCGVYQOIYLRG-INIZCTEOSA-N 2 0 362.474 0.889 20 0 FCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001262067198 1260254586 /nfs/dbraw/zinc/25/45/86/1260254586.db2.gz VGQFQKFHRSUTGL-OWLYRPNTSA-N 2 0 358.486 0.867 20 0 FCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001336927377 1260256645 /nfs/dbraw/zinc/25/66/45/1260256645.db2.gz XYYDCQIWOPHETL-PKOBYXMFSA-N 2 0 365.522 0.321 20 0 FCADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC001332034187 1266319294 /nfs/dbraw/zinc/31/92/94/1266319294.db2.gz COCOTMMQCRUPCM-FUHWJXTLSA-N 2 0 374.485 0.578 20 0 FCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC001336961372 1260268470 /nfs/dbraw/zinc/26/84/70/1260268470.db2.gz QWLXHPQIBFTMEO-AGIUHOORSA-N 2 0 364.412 0.924 20 0 FCADRP C[NH2+]CCOc1cccc(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001336994209 1260278475 /nfs/dbraw/zinc/27/84/75/1260278475.db2.gz BWAUOAGWZOZAEZ-UHFFFAOYSA-N 2 0 356.430 0.737 20 0 FCADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063177 1260298933 /nfs/dbraw/zinc/29/89/33/1260298933.db2.gz YYQYHZLXDMWBLW-CVEARBPZSA-N 2 0 351.495 0.324 20 0 FCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(CO)CC1 ZINC001337103859 1260310180 /nfs/dbraw/zinc/31/01/80/1260310180.db2.gz CYOGXXZZIQXPMM-GOSISDBHSA-N 2 0 354.539 0.565 20 0 FCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001337125720 1260317264 /nfs/dbraw/zinc/31/72/64/1260317264.db2.gz DXWZJEZBVSGHNY-CQSZACIVSA-N 2 0 352.483 0.278 20 0 FCADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCN1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001263103598 1260341815 /nfs/dbraw/zinc/34/18/15/1260341815.db2.gz FGZKPOSQVXGFNZ-RDTXWAMCSA-N 2 0 363.481 0.658 20 0 FCADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001263101267 1260342371 /nfs/dbraw/zinc/34/23/71/1260342371.db2.gz NOFSCDKZURMYSY-GOSISDBHSA-N 2 0 364.465 0.689 20 0 FCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC001337308972 1260365027 /nfs/dbraw/zinc/36/50/27/1260365027.db2.gz GJRLVPALYJQKKT-ZVZYQTTQSA-N 2 0 374.485 0.802 20 0 FCADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001272820307 1260511122 /nfs/dbraw/zinc/51/11/22/1260511122.db2.gz GDNKVODDUJTKKZ-LJQANCHMSA-N 2 0 366.506 0.110 20 0 FCADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCCC3)C[C@H](C1)O2 ZINC001273140317 1260606902 /nfs/dbraw/zinc/60/69/02/1260606902.db2.gz GOEFGHHEEXLURX-CEXWTWQISA-N 2 0 364.534 0.867 20 0 FCADRP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CCC[N@H+](C)C2)C3)CC1 ZINC001273273732 1260647905 /nfs/dbraw/zinc/64/79/05/1260647905.db2.gz ZDEVTWQBTQADFN-JXXFODFXSA-N 2 0 362.518 0.729 20 0 FCADRP COCCn1cc(C[N@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001278712948 1260720249 /nfs/dbraw/zinc/72/02/49/1260720249.db2.gz RVIMJKXYWWKTMX-HDICACEKSA-N 2 0 363.506 0.762 20 0 FCADRP O=C1NC2(CC[NH+](Cc3cc[nH]c3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279309693 1260834955 /nfs/dbraw/zinc/83/49/55/1260834955.db2.gz JFOGWCWSXHAZAK-IRXDYDNUSA-N 2 0 354.458 0.950 20 0 FCADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279466566 1260874085 /nfs/dbraw/zinc/87/40/85/1260874085.db2.gz ADGDELIDCMAKMD-GVDBMIGSSA-N 2 0 367.490 0.298 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@]3(CN(CC(=O)N(C)C)CCO3)C2)CC1 ZINC001279498825 1260879944 /nfs/dbraw/zinc/87/99/44/1260879944.db2.gz PXUYMMIAWVNVJV-HXUWFJFHSA-N 2 0 366.550 0.973 20 0 FCADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ncnn2C)CC1 ZINC001279499153 1260879996 /nfs/dbraw/zinc/87/99/96/1260879996.db2.gz VQQLUZPCGPZKOR-IYBDPMFKSA-N 2 0 362.478 0.072 20 0 FCADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ncnn2C)CC1 ZINC001279499412 1260880187 /nfs/dbraw/zinc/88/01/87/1260880187.db2.gz YOROGHYMZBEDGK-CVEARBPZSA-N 2 0 362.478 0.072 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc5c(n4)OCCO5)CC3)[C@@H]2C1 ZINC001279527311 1260884512 /nfs/dbraw/zinc/88/45/12/1260884512.db2.gz WRBCGPMWCSXTIJ-HUUCEWRRSA-N 2 0 358.442 0.495 20 0 FCADRP C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CCO1 ZINC001332268491 1266368118 /nfs/dbraw/zinc/36/81/18/1266368118.db2.gz YROGIOZSBKTVDM-WBAXXEDZSA-N 2 0 374.485 0.377 20 0 FCADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCOC4)CC3)[C@@H]2C1 ZINC001279617953 1260901377 /nfs/dbraw/zinc/90/13/77/1260901377.db2.gz NKNNPMNXAICUJJ-RCCFBDPRSA-N 2 0 364.534 0.487 20 0 FCADRP O=C(NCC1COC1)[C@@H]1COCCC12CN(CCC[NH+]1CCCCC1)C2 ZINC001279842825 1260942203 /nfs/dbraw/zinc/94/22/03/1260942203.db2.gz GAUIVGDYILKKLF-SFHVURJKSA-N 2 0 365.518 0.964 20 0 FCADRP COCCC[N@@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001280096605 1261001583 /nfs/dbraw/zinc/00/15/83/1261001583.db2.gz PSEIRNDUDTVCRA-AWEZNQCLSA-N 2 0 364.494 0.385 20 0 FCADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4nccc(NCC5CC5)n4)CC3)[C@@H]2C1 ZINC001280117695 1261008200 /nfs/dbraw/zinc/00/82/00/1261008200.db2.gz LAYUFQDBUZORAK-HUUCEWRRSA-N 2 0 356.474 0.945 20 0 FCADRP CN(C)C(=O)CNC(=O)C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126287 1261011867 /nfs/dbraw/zinc/01/18/67/1261011867.db2.gz WDZJIGVXCPHAFC-IKGGRYGDSA-N 2 0 366.506 0.012 20 0 FCADRP Cn1cnc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C(=O)N2CCCCO2)c1 ZINC001280134272 1261012743 /nfs/dbraw/zinc/01/27/43/1261012743.db2.gz BHQUCAYAILLKIN-IAGOWNOFSA-N 2 0 361.490 0.989 20 0 FCADRP Cn1nnnc1NC(=O)C1=CC2(CC1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001280138369 1261014761 /nfs/dbraw/zinc/01/47/61/1261014761.db2.gz XDPNMAFPVOCPSS-UHFFFAOYSA-N 2 0 359.478 0.951 20 0 FCADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213802 1261035218 /nfs/dbraw/zinc/03/52/18/1261035218.db2.gz SDGQJVONQIAVPB-MHORFTMASA-N 2 0 362.518 0.905 20 0 FCADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280221689 1261038967 /nfs/dbraw/zinc/03/89/67/1261038967.db2.gz ZWLIZJOMJGZUCD-IRXDYDNUSA-N 2 0 368.522 0.071 20 0 FCADRP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CC[NH+]3CCCC3)C[C@@H]21 ZINC001280224825 1261039547 /nfs/dbraw/zinc/03/95/47/1261039547.db2.gz WGUVXURJYAAPFE-QYZOEREBSA-N 2 0 362.518 0.478 20 0 FCADRP COC[C@H](O)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001281292889 1261107793 /nfs/dbraw/zinc/10/77/93/1261107793.db2.gz IJOUXYJOQHNHKA-NIKGAXFTSA-N 2 0 361.486 0.966 20 0 FCADRP CO[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001281841475 1261225597 /nfs/dbraw/zinc/22/55/97/1261225597.db2.gz BKZHRDWNISRTHZ-DJIMGWMZSA-N 2 0 366.506 0.155 20 0 FCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001345100684 1261634946 /nfs/dbraw/zinc/63/49/46/1261634946.db2.gz VCMJJPLAUHWATJ-MRXNPFEDSA-N 2 0 358.442 0.804 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001289135461 1262121868 /nfs/dbraw/zinc/12/18/68/1262121868.db2.gz OYOPFPXOTBRDTC-HZPDHXFCSA-N 2 0 366.506 0.035 20 0 FCADRP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001289499438 1262224694 /nfs/dbraw/zinc/22/46/94/1262224694.db2.gz IAZCBYRDSNBITC-BZUAXINKSA-N 2 0 368.522 0.399 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289719740 1262322432 /nfs/dbraw/zinc/32/24/32/1262322432.db2.gz CWFMFSGSKZARLQ-IKGGRYGDSA-N 2 0 368.522 0.279 20 0 FCADRP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001292811514 1262702543 /nfs/dbraw/zinc/70/25/43/1262702543.db2.gz HJTTWYUKBAAPSO-UHFFFAOYSA-N 2 0 359.474 0.523 20 0 FCADRP COCCN1CCN(c2nnc(C)n2CCN2CCOC(C)(C)C2)CC1 ZINC001301877394 1263025613 /nfs/dbraw/zinc/02/56/13/1263025613.db2.gz MBZOJGFQIXKZQG-UHFFFAOYSA-N 2 0 366.510 0.466 20 0 FCADRP CC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179179 1263176443 /nfs/dbraw/zinc/17/64/43/1263176443.db2.gz UWFVBYINQCBVQX-ZWKOTPCHSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001479930924 1263417553 /nfs/dbraw/zinc/41/75/53/1263417553.db2.gz PLAHAIFUUSFZDK-SJLPKXTDSA-N 2 0 362.522 0.037 20 0 FCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001481706386 1263440690 /nfs/dbraw/zinc/44/06/90/1263440690.db2.gz VNKXKTRNCHBZLZ-QRVBRYPASA-N 2 0 361.486 0.531 20 0 FCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318661796 1263596761 /nfs/dbraw/zinc/59/67/61/1263596761.db2.gz OZLQHSZCENPHHU-ZWKOTPCHSA-N 2 0 365.522 0.273 20 0 FCADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001318870963 1263620312 /nfs/dbraw/zinc/62/03/12/1263620312.db2.gz JZWZENBGRYDIQF-OKZBNKHCSA-N 2 0 367.538 0.565 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@@H](O)Cn3cccn3)CCCC2)CC[N@@H+]1C ZINC001495161029 1263801850 /nfs/dbraw/zinc/80/18/50/1263801850.db2.gz SIVGLVIGVKPPDK-BRWVUGGUSA-N 2 0 363.506 0.603 20 0 FCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)n2)CC1 ZINC001321361506 1263944889 /nfs/dbraw/zinc/94/48/89/1263944889.db2.gz VGOFBGBFXNYYCJ-INIZCTEOSA-N 2 0 374.489 0.785 20 0 FCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)N1CCOCC1 ZINC001321643032 1264020484 /nfs/dbraw/zinc/02/04/84/1264020484.db2.gz ONDPSQWDIKEXBR-BBWFWOEESA-N 2 0 368.522 0.448 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580389747 1278215294 /nfs/dbraw/zinc/21/52/94/1278215294.db2.gz MRLCJCFMSXKEPI-FDYHWXHSSA-N 2 0 356.434 0.083 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCS(=O)(=O)CC3)CCC2)CC[N@@H+]1C ZINC001501952413 1264157116 /nfs/dbraw/zinc/15/71/16/1264157116.db2.gz OSERUQSELYRUGB-GDBMZVCRSA-N 2 0 371.547 0.780 20 0 FCADRP CCOCc1nnc(N2CC[NH+](CC)[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503112653 1264194328 /nfs/dbraw/zinc/19/43/28/1264194328.db2.gz IXLJJEKCBFBZPQ-YJBOKZPZSA-N 2 0 366.510 0.412 20 0 FCADRP CC(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001323511121 1264445651 /nfs/dbraw/zinc/44/56/51/1264445651.db2.gz JSXYMOARPUEFLB-DLBZAZTESA-N 2 0 370.538 0.506 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001323615679 1264468794 /nfs/dbraw/zinc/46/87/94/1264468794.db2.gz KNYPVRXXYSZATH-IPMKNSEASA-N 2 0 372.513 0.783 20 0 FCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001323954207 1264548102 /nfs/dbraw/zinc/54/81/02/1264548102.db2.gz XVQAPFPLJARUSS-DLBZAZTESA-N 2 0 364.465 0.750 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001512855494 1264697406 /nfs/dbraw/zinc/69/74/06/1264697406.db2.gz TWDHFTMAJMLNAS-IXDOHACOSA-N 2 0 350.507 0.729 20 0 FCADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](CC)CC ZINC001513039337 1264880466 /nfs/dbraw/zinc/88/04/66/1264880466.db2.gz PUEAPTVZBUTRQC-BZUAXINKSA-N 2 0 368.522 0.137 20 0 FCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325424682 1264882690 /nfs/dbraw/zinc/88/26/90/1264882690.db2.gz VZIVGHULVYENPR-MRXNPFEDSA-N 2 0 358.486 0.952 20 0 FCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326048242 1265052209 /nfs/dbraw/zinc/05/22/09/1265052209.db2.gz XGULMILWHPDSSM-INMHGKMJSA-N 2 0 362.478 0.561 20 0 FCADRP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580406861 1278244595 /nfs/dbraw/zinc/24/45/95/1278244595.db2.gz AVXJFUZFRKMAPA-CYBMUJFWSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)CC1 ZINC001327121707 1265237550 /nfs/dbraw/zinc/23/75/50/1265237550.db2.gz OWRQUSOWJVOYAL-IBGZPJMESA-N 2 0 368.497 0.869 20 0 FCADRP Cc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001327195949 1265250403 /nfs/dbraw/zinc/25/04/03/1265250403.db2.gz JUMXMNGNJWIYPU-SFHVURJKSA-N 2 0 361.490 0.785 20 0 FCADRP Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1N1CC[NH+](C)CC1 ZINC001327439782 1265321898 /nfs/dbraw/zinc/32/18/98/1265321898.db2.gz LQFYTLPLQGPLRD-OAHLLOKOSA-N 2 0 359.474 0.635 20 0 FCADRP O=C1CC2(CN1)CC[NH+](C/C=C/C[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC001327642431 1265383245 /nfs/dbraw/zinc/38/32/45/1265383245.db2.gz IPVYZFOCUVHRHA-OWOJBTEDSA-N 2 0 360.502 0.747 20 0 FCADRP [NH3+][C@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001580415624 1278263590 /nfs/dbraw/zinc/26/35/90/1278263590.db2.gz YEWXBQRDDQXTFW-OWCLPIDISA-N 2 0 364.494 0.166 20 0 FCADRP C[C@H](CC[NH+]1CCC2(CNC(=O)O2)CC1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001333207477 1266555226 /nfs/dbraw/zinc/55/52/26/1266555226.db2.gz HYNKKYBCLIYDJM-CQSZACIVSA-N 2 0 366.462 0.914 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC001333282380 1266570134 /nfs/dbraw/zinc/57/01/34/1266570134.db2.gz RCMBHZXMIYTBID-GOSISDBHSA-N 2 0 357.502 0.752 20 0 FCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001333437939 1266602721 /nfs/dbraw/zinc/60/27/21/1266602721.db2.gz HKLGVTKFOZQEFM-CALCHBBNSA-N 2 0 368.522 0.437 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC001333620241 1266653296 /nfs/dbraw/zinc/65/32/96/1266653296.db2.gz XSBAZPUQJZAJCY-KURKYZTESA-N 2 0 367.538 0.552 20 0 FCADRP COC[C@]1(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC001524369596 1266702941 /nfs/dbraw/zinc/70/29/41/1266702941.db2.gz WSCUEUBYRJMEPL-FQEVSTJZSA-N 2 0 360.502 0.723 20 0 FCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006130 1266774151 /nfs/dbraw/zinc/77/41/51/1266774151.db2.gz SNBAOXIKCLOLFB-QBPKDAKJSA-N 2 0 350.507 0.953 20 0 FCADRP CSC1(CNC(=O)NCCN2CCC3(C2)OCCO3)CC[NH+](C)CC1 ZINC001527877060 1266931581 /nfs/dbraw/zinc/93/15/81/1266931581.db2.gz AEAQTRMZKBLYEC-UHFFFAOYSA-N 2 0 372.535 0.562 20 0 FCADRP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001528433174 1266970527 /nfs/dbraw/zinc/97/05/27/1266970527.db2.gz DSGUPPANVKPFMZ-MSOLQXFVSA-N 2 0 367.538 0.519 20 0 FCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580448246 1278310918 /nfs/dbraw/zinc/31/09/18/1278310918.db2.gz LQEBHGOPMDQGIM-XUXIUFHCSA-N 2 0 370.461 0.473 20 0 FCADRP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCCCN3Cc3cccnc3)C2)CC1 ZINC001334933597 1267235364 /nfs/dbraw/zinc/23/53/64/1267235364.db2.gz KAQNLGNENBHZFB-IBGZPJMESA-N 2 0 357.502 0.894 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572263 1267500563 /nfs/dbraw/zinc/50/05/63/1267500563.db2.gz JSZCZHAUKCKISE-HUUCEWRRSA-N 2 0 354.495 0.107 20 0 FCADRP Cn1cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001548938264 1267773875 /nfs/dbraw/zinc/77/38/75/1267773875.db2.gz KUXMYSMAUGWSEV-ZFWWWQNUSA-N 2 0 372.477 0.415 20 0 FCADRP [NH3+][C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1c1ccc(F)cc1 ZINC001549031380 1267791892 /nfs/dbraw/zinc/79/18/92/1267791892.db2.gz SECJWKDADTZQOD-CVEARBPZSA-N 2 0 358.421 0.909 20 0 FCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC001549215380 1267858930 /nfs/dbraw/zinc/85/89/30/1267858930.db2.gz QTQIAFXXOVLZDZ-VQHPVUNQSA-N 2 0 357.458 0.086 20 0 FCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)C1=O ZINC001549754720 1267988556 /nfs/dbraw/zinc/98/85/56/1267988556.db2.gz NGSNUZYYHMZIFZ-MRXNPFEDSA-N 2 0 374.489 0.302 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@H]32)C1 ZINC001549897048 1268014697 /nfs/dbraw/zinc/01/46/97/1268014697.db2.gz BYRXHTNYOLJJPJ-KCITZHQASA-N 2 0 367.534 0.941 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC001550005404 1268046207 /nfs/dbraw/zinc/04/62/07/1268046207.db2.gz SGTSRMUYVASCDD-SQNIBIBYSA-N 2 0 374.533 0.865 20 0 FCADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113309 1268076859 /nfs/dbraw/zinc/07/68/59/1268076859.db2.gz QVRDEXJDXXGSKH-RTBURBONSA-N 2 0 360.502 0.976 20 0 FCADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC001550199476 1268092085 /nfs/dbraw/zinc/09/20/85/1268092085.db2.gz FCKDWVADUGINAV-RDJZCZTQSA-N 2 0 370.457 0.998 20 0 FCADRP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC001550366204 1268108196 /nfs/dbraw/zinc/10/81/96/1268108196.db2.gz CDWBEPGJYCOQEB-SOLBZPMBSA-N 2 0 374.533 0.580 20 0 FCADRP O=C(N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC001550387232 1268109194 /nfs/dbraw/zinc/10/91/94/1268109194.db2.gz AHTMCHKGUJGPLR-CPLYBDICSA-N 2 0 365.518 0.981 20 0 FCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC001550477140 1268124277 /nfs/dbraw/zinc/12/42/77/1268124277.db2.gz NRQKRFHTQYJWIL-DMUMMCEESA-N 2 0 365.518 0.693 20 0 FCADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC001550567949 1268134176 /nfs/dbraw/zinc/13/41/76/1268134176.db2.gz BTFAVEVAZMRZKN-BAMLVTLESA-N 2 0 374.529 0.443 20 0 FCADRP Cn1nccc1[C@@H]1[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCC(=O)N1C ZINC001550673768 1268147568 /nfs/dbraw/zinc/14/75/68/1268147568.db2.gz UHNLCIOCXRZOGM-QAPCUYQASA-N 2 0 363.506 0.907 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550725088 1268155554 /nfs/dbraw/zinc/15/55/54/1268155554.db2.gz YYJSVBBREHZILA-OIDVLUPKSA-N 2 0 361.490 0.781 20 0 FCADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550725085 1268155765 /nfs/dbraw/zinc/15/57/65/1268155765.db2.gz YYJSVBBREHZILA-CRCOGDFISA-N 2 0 361.490 0.781 20 0 FCADRP C[N@H+]1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)C[C@H]2C[C@H]1CO ZINC001550745791 1268160377 /nfs/dbraw/zinc/16/03/77/1268160377.db2.gz UKSMAAIMJOBTIL-SPOLIRPYSA-N 2 0 358.486 0.839 20 0 FCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1C[C@@]23C[NH2+]C[C@]2(C1)CCCC3 ZINC001550751008 1268161933 /nfs/dbraw/zinc/16/19/33/1268161933.db2.gz URLZEYUZWWDRQS-NXHRZFHOSA-N 2 0 359.478 0.488 20 0 FCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@@H]2F)C1 ZINC001550752734 1268162052 /nfs/dbraw/zinc/16/20/52/1268162052.db2.gz VRBABNAVJMSNEF-IXDOHACOSA-N 2 0 350.438 0.805 20 0 FCADRP Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001550757313 1268163294 /nfs/dbraw/zinc/16/32/94/1268163294.db2.gz OBSABRILQINBQQ-BBWFWOEESA-N 2 0 354.458 0.571 20 0 FCADRP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001550755189 1268163350 /nfs/dbraw/zinc/16/33/50/1268163350.db2.gz NRMGRZDLSBUSGN-BZUAXINKSA-N 2 0 354.495 0.506 20 0 FCADRP COc1cccc(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913857 1268184024 /nfs/dbraw/zinc/18/40/24/1268184024.db2.gz QAYVDTJMBKVDRM-QFBILLFUSA-N 2 0 360.458 0.870 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC001550914806 1268184255 /nfs/dbraw/zinc/18/42/55/1268184255.db2.gz ZQWHAALTBRSTIS-VQIMIIECSA-N 2 0 362.449 0.678 20 0 FCADRP O=C1CC[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913694 1268184266 /nfs/dbraw/zinc/18/42/66/1268184266.db2.gz PAONFYGXTHJULW-RYRKJORJSA-N 2 0 351.491 0.951 20 0 FCADRP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913863 1268184543 /nfs/dbraw/zinc/18/45/43/1268184543.db2.gz QCDFEIWXPLVXLK-YLJYHZDGSA-N 2 0 358.486 0.848 20 0 FCADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC001550911814 1268184644 /nfs/dbraw/zinc/18/46/44/1268184644.db2.gz DQNBUTGAQPSZLA-MLGOLLRUSA-N 2 0 365.865 0.910 20 0 FCADRP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001551099961 1268204529 /nfs/dbraw/zinc/20/45/29/1268204529.db2.gz KLTNRBPSSPTJSJ-RDGPPVDQSA-N 2 0 365.518 0.791 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001551160387 1268211518 /nfs/dbraw/zinc/21/15/18/1268211518.db2.gz XUNOEBXWMFPFKZ-HFCFLWKCSA-N 2 0 351.491 0.857 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCOC23CCOCC3)C[C@H]1C[NH+](C)C ZINC001551256798 1268218368 /nfs/dbraw/zinc/21/83/68/1268218368.db2.gz DHQMYQRBISAPHK-BBWFWOEESA-N 2 0 368.522 0.705 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)N[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC001551279127 1268221463 /nfs/dbraw/zinc/22/14/63/1268221463.db2.gz XWIOBKUDGYUQIC-HFCFLWKCSA-N 2 0 368.522 0.776 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H](C)[NH+]1CCO ZINC001551463393 1268257289 /nfs/dbraw/zinc/25/72/89/1268257289.db2.gz HUHVMQRMITYECF-OAGGEKHMSA-N 2 0 354.495 0.242 20 0 FCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551471753 1268257947 /nfs/dbraw/zinc/25/79/47/1268257947.db2.gz XCLJELFCLBWNGX-JYJNAYRXSA-N 2 0 354.495 0.242 20 0 FCADRP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001551498021 1268262216 /nfs/dbraw/zinc/26/22/16/1268262216.db2.gz OGZUNIWVNGEZLN-UHFFFAOYSA-N 2 0 354.495 0.827 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)[NH2+]C1 ZINC001551552373 1268265246 /nfs/dbraw/zinc/26/52/46/1268265246.db2.gz DOYSSHMZWOWTPJ-BFYDXBDKSA-N 2 0 365.522 0.711 20 0 FCADRP CC1(C)CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[NH2+]C1 ZINC001551552380 1268265576 /nfs/dbraw/zinc/26/55/76/1268265576.db2.gz DOYSSHMZWOWTPJ-VYDXJSESSA-N 2 0 365.522 0.711 20 0 FCADRP CC1(C)C[NH2+][C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551554503 1268266420 /nfs/dbraw/zinc/26/64/20/1268266420.db2.gz KDRMCBRDHZMPMK-SQWLQELKSA-N 2 0 351.495 0.321 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H]1CC[NH3+] ZINC001551555195 1268267508 /nfs/dbraw/zinc/26/75/08/1268267508.db2.gz MQMZTEVJGLOWTO-JWDQPFGJSA-N 2 0 351.495 0.260 20 0 FCADRP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551555218 1268267867 /nfs/dbraw/zinc/26/78/67/1268267867.db2.gz MYSBDRDIZDQKEN-JWDQPFGJSA-N 2 0 351.495 0.178 20 0 FCADRP CC1(C)C[C@H]([NH3+])CN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551557223 1268268352 /nfs/dbraw/zinc/26/83/52/1268268352.db2.gz URNFMOFHTNCIHO-DZKIICNBSA-N 2 0 351.495 0.402 20 0 FCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551557714 1268269065 /nfs/dbraw/zinc/26/90/65/1268269065.db2.gz CTVWGIHMYAJPCX-HFTRVMKXSA-N 2 0 365.522 0.807 20 0 FCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551558902 1268269840 /nfs/dbraw/zinc/26/98/40/1268269840.db2.gz FMICYOOFTQFFEE-OWQGQXMQSA-N 2 0 363.506 0.417 20 0 FCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560958 1268270858 /nfs/dbraw/zinc/27/08/58/1268270858.db2.gz IRJSCIYHMAFVQE-SUMDDJOVSA-N 2 0 363.506 0.370 20 0 FCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1 ZINC001551564459 1268272769 /nfs/dbraw/zinc/27/27/69/1268272769.db2.gz UONIIVSIBCBHMD-ZBFHGGJFSA-N 2 0 351.495 0.417 20 0 FCADRP [NH3+][C@H]1CC12CCC(NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001551567572 1268273875 /nfs/dbraw/zinc/27/38/75/1268273875.db2.gz INYSIJQEINQXSY-FMPXUHTOSA-N 2 0 363.428 0.782 20 0 FCADRP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551575165 1268274586 /nfs/dbraw/zinc/27/45/86/1268274586.db2.gz FLLMDZBHYIGZLJ-NVXWUHKLSA-N 2 0 365.522 0.807 20 0 FCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C[C@@H]21 ZINC001551580506 1268277611 /nfs/dbraw/zinc/27/76/11/1268277611.db2.gz QAZCVRQNIBGUAU-DXWTWGPWSA-N 2 0 363.506 0.402 20 0 FCADRP C[NH+](C)C1CC(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551582044 1268277815 /nfs/dbraw/zinc/27/78/15/1268277815.db2.gz SVWSSPKWGDQOOT-IBGATYGBSA-N 2 0 351.495 0.273 20 0 FCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC001551583084 1268278879 /nfs/dbraw/zinc/27/88/79/1268278879.db2.gz UXOVTBBQBHSEGU-DUFGSWQCSA-N 2 0 351.495 0.402 20 0 FCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551586907 1268280031 /nfs/dbraw/zinc/28/00/31/1268280031.db2.gz CZIIFMLCLMHQPT-NUJGCVRESA-N 2 0 365.522 0.805 20 0 FCADRP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001551586974 1268280099 /nfs/dbraw/zinc/28/00/99/1268280099.db2.gz DELBOVHUZPBTER-BQFCYCMXSA-N 2 0 363.506 0.513 20 0 FCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC001551592765 1268281183 /nfs/dbraw/zinc/28/11/83/1268281183.db2.gz MTRLFOZGINLESX-MMTVNHQJSA-N 2 0 351.495 0.415 20 0 FCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551595550 1268281616 /nfs/dbraw/zinc/28/16/16/1268281616.db2.gz RGPJSKSUOSDBOB-SOLBZPMBSA-N 2 0 365.522 0.615 20 0 FCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC001551596294 1268282021 /nfs/dbraw/zinc/28/20/21/1268282021.db2.gz SJHDKJGERUDCIF-MMTVNHQJSA-N 2 0 351.495 0.225 20 0 FCADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597066 1268282306 /nfs/dbraw/zinc/28/23/06/1268282306.db2.gz UOCWPELLJAEWOA-WMZOPIPTSA-N 2 0 365.522 0.807 20 0 FCADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551598293 1268283410 /nfs/dbraw/zinc/28/34/10/1268283410.db2.gz XDBZOYURQTXKIQ-FUHWJXTLSA-N 2 0 365.522 0.805 20 0 FCADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC001339854658 1268349641 /nfs/dbraw/zinc/34/96/41/1268349641.db2.gz IPFGLNATURTLKA-RVKKMQEKSA-N 2 0 372.469 0.922 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)nn1 ZINC001552087009 1268366530 /nfs/dbraw/zinc/36/65/30/1268366530.db2.gz JLFNMZUHVYKTDX-UKPHBRMFSA-N 2 0 364.494 0.169 20 0 FCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)C1 ZINC001552095462 1268372775 /nfs/dbraw/zinc/37/27/75/1268372775.db2.gz HIIJGEJXDPBHQM-IKGGRYGDSA-N 2 0 364.494 0.213 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)nn1 ZINC001552167553 1268399141 /nfs/dbraw/zinc/39/91/41/1268399141.db2.gz NWPDVSJGFUESPO-KLZNWCGWSA-N 2 0 362.478 0.065 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCCN2CCC([NH+](C)C)CC2)cnn1C ZINC001552168215 1268400936 /nfs/dbraw/zinc/40/09/36/1268400936.db2.gz PRBDRZOXPPTYQX-QZTJIDSGSA-N 2 0 362.522 0.174 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)nn1 ZINC001552179594 1268404224 /nfs/dbraw/zinc/40/42/24/1268404224.db2.gz LPNQPXULWYSVAV-MWQQHZPXSA-N 2 0 362.478 0.065 20 0 FCADRP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnn1C ZINC001552181599 1268404744 /nfs/dbraw/zinc/40/47/44/1268404744.db2.gz VBQDKXRBNLBMDS-XLAORIBOSA-N 2 0 361.490 0.089 20 0 FCADRP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203363 1268409368 /nfs/dbraw/zinc/40/93/68/1268409368.db2.gz BAKMQMNZYFOORX-OXQOHEQNSA-N 2 0 373.501 0.819 20 0 FCADRP O=C(N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001552224106 1268415900 /nfs/dbraw/zinc/41/59/00/1268415900.db2.gz TYBWCRACPFKBGF-XMTFNYHQSA-N 2 0 366.506 0.527 20 0 FCADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]([NH3+])C[C@H]2c2ccccc2)nn1 ZINC001552257245 1268423712 /nfs/dbraw/zinc/42/37/12/1268423712.db2.gz LAYUAVXAPMYNNT-XYVMCAHJSA-N 2 0 370.457 0.281 20 0 FCADRP CCC1([NH+](C)C)CCN(C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)CC1 ZINC001552258188 1268424722 /nfs/dbraw/zinc/42/47/22/1268424722.db2.gz RJNUFCSKLNNSMA-HOCLYGCPSA-N 2 0 364.494 0.313 20 0 FCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283649 1268432062 /nfs/dbraw/zinc/43/20/62/1268432062.db2.gz SYIRBWDCJZXJSZ-RRIFGTCXSA-N 2 0 351.491 0.570 20 0 FCADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCc3sc(C[NH3+])nc3C2)cnn1C ZINC001552283361 1268432127 /nfs/dbraw/zinc/43/21/27/1268432127.db2.gz RGAAIJMYLPUTNC-OLZOCXBDSA-N 2 0 360.487 0.532 20 0 FCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421428 1268460024 /nfs/dbraw/zinc/46/00/24/1268460024.db2.gz FHNAULKGIWHYEX-QZTJIDSGSA-N 2 0 352.523 0.630 20 0 FCADRP Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434309 1268461805 /nfs/dbraw/zinc/46/18/05/1268461805.db2.gz IREWHUJSJPDYFA-HZPDHXFCSA-N 2 0 362.478 0.494 20 0 FCADRP Cc1c(C(=O)Nc2ccccc2C(=O)NCC[NH3+])nnn1[C@@H]1CC[NH2+]C1 ZINC001552437989 1268464533 /nfs/dbraw/zinc/46/45/33/1268464533.db2.gz VEMWKYIAQBWQCJ-GFCCVEGCSA-N 2 0 357.418 0.062 20 0 FCADRP [NH3+][C@@H]1CCO[C@@H]1C1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001552439071 1268464735 /nfs/dbraw/zinc/46/47/35/1268464735.db2.gz ZGOFTPYKZFRFNH-BFYDXBDKSA-N 2 0 362.478 0.561 20 0 FCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001340236070 1268481318 /nfs/dbraw/zinc/48/13/18/1268481318.db2.gz YBMQKXRYDJHDPE-GOSISDBHSA-N 2 0 360.502 0.691 20 0 FCADRP CC(C)OCC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001340241380 1268482025 /nfs/dbraw/zinc/48/20/25/1268482025.db2.gz QLARRIGOPDSPLT-KRWDZBQOSA-N 2 0 356.511 0.482 20 0 FCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001552603498 1268486301 /nfs/dbraw/zinc/48/63/01/1268486301.db2.gz HPUDWDFNPXJENY-YYIAUSFCSA-N 2 0 363.510 0.895 20 0 FCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)C1 ZINC001552605505 1268488813 /nfs/dbraw/zinc/48/88/13/1268488813.db2.gz WXRUHBUWXMEVSX-BRWVUGGUSA-N 2 0 363.510 0.753 20 0 FCADRP CO[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@@](C)(C[NH3+])C1 ZINC001552681205 1268519701 /nfs/dbraw/zinc/51/97/01/1268519701.db2.gz VMJJVJXMBFIAOH-BDJLRTHQSA-N 2 0 372.420 0.719 20 0 FCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)C2)CC1 ZINC001552697869 1268524052 /nfs/dbraw/zinc/52/40/52/1268524052.db2.gz GJOYAMMGUNFTRX-INIZCTEOSA-N 2 0 360.506 0.729 20 0 FCADRP C[C@@H]1[C@@H](c2nnc(N3CC[C@@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774636 1268542600 /nfs/dbraw/zinc/54/26/00/1268542600.db2.gz MBYZIBMDDCFLEH-ZACQAIPSSA-N 2 0 361.538 0.839 20 0 FCADRP C[NH+](C)C[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001552839458 1268558606 /nfs/dbraw/zinc/55/86/06/1268558606.db2.gz JEEQJWYWXTXBDK-LBPRGKRZSA-N 2 0 372.420 0.543 20 0 FCADRP C[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957737 1268569525 /nfs/dbraw/zinc/56/95/25/1268569525.db2.gz JEIATRPKBPQDQO-KURKYZTESA-N 2 0 365.522 0.175 20 0 FCADRP Cc1c(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359517 1268637763 /nfs/dbraw/zinc/63/77/63/1268637763.db2.gz LWRIZGIWGLQGBH-QRWLVFNGSA-N 2 0 369.469 0.964 20 0 FCADRP C[N@@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553388037 1268642830 /nfs/dbraw/zinc/64/28/30/1268642830.db2.gz DGYJKWOHBMPVPJ-AUUYWEPGSA-N 2 0 371.441 0.218 20 0 FCADRP C[N@@H+]1CC[C@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@H]2C1 ZINC001553389247 1268642987 /nfs/dbraw/zinc/64/29/87/1268642987.db2.gz KXMPABRIJGBKTR-JXFKEZNVSA-N 2 0 372.469 0.639 20 0 FCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553448057 1268651745 /nfs/dbraw/zinc/65/17/45/1268651745.db2.gz IUYGKOXOUZXOTM-KDOFPFPSSA-N 2 0 351.495 0.370 20 0 FCADRP CN(C)c1cnc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1 ZINC001553521341 1268662645 /nfs/dbraw/zinc/66/26/45/1268662645.db2.gz QHEIMNNAOVCHSD-IYBDPMFKSA-N 2 0 373.505 0.653 20 0 FCADRP C[NH+](C)[C@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001554064299 1268750039 /nfs/dbraw/zinc/75/00/39/1268750039.db2.gz BXIXTQBMQVJNBZ-HOTGVXAUSA-N 2 0 367.417 0.878 20 0 FCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001556855030 1268899483 /nfs/dbraw/zinc/89/94/83/1268899483.db2.gz NZJUYZLSBGKYLC-HUUCEWRRSA-N 2 0 372.510 0.404 20 0 FCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001341418138 1268984113 /nfs/dbraw/zinc/98/41/13/1268984113.db2.gz POZJMYLHQPAOEQ-VSZNYVQBSA-N 2 0 351.539 0.994 20 0 FCADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001341616701 1269112190 /nfs/dbraw/zinc/11/21/90/1269112190.db2.gz ACFAKDFLOBPVFB-FOIQADDNSA-N 2 0 359.470 0.976 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC001341716997 1269167090 /nfs/dbraw/zinc/16/70/90/1269167090.db2.gz MCTGRFKQLUBBAV-KDOFPFPSSA-N 2 0 362.474 0.832 20 0 FCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001341731975 1269174995 /nfs/dbraw/zinc/17/49/95/1269174995.db2.gz GWEGRAJIGNKQGA-FPCVCCKLSA-N 2 0 359.474 0.630 20 0 FCADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001341732103 1269175217 /nfs/dbraw/zinc/17/52/17/1269175217.db2.gz IDJQNFOPTALPEZ-FQEVSTJZSA-N 2 0 360.502 0.939 20 0 FCADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3[NH2+]CC34CCOCC4)CC2)CC1 ZINC001341814840 1269225302 /nfs/dbraw/zinc/22/53/02/1269225302.db2.gz NSGXJLSUVLGKAG-QGZVFWFLSA-N 2 0 350.507 0.241 20 0 FCADRP [NH3+]CC1(c2ccccc2)CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001342079601 1269335217 /nfs/dbraw/zinc/33/52/17/1269335217.db2.gz LEOVAKMGBSRBGE-QGZVFWFLSA-N 2 0 358.486 0.764 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001565975970 1269536859 /nfs/dbraw/zinc/53/68/59/1269536859.db2.gz MFKOSVDUFNUMSY-KGLIPLIRSA-N 2 0 352.483 0.167 20 0 FCADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001566047192 1269579221 /nfs/dbraw/zinc/57/92/21/1269579221.db2.gz SHZJQACKLPCHBB-SJORKVTESA-N 2 0 362.518 0.873 20 0 FCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001566048240 1269580653 /nfs/dbraw/zinc/58/06/53/1269580653.db2.gz GRTWMSNJQJGNEJ-CVEARBPZSA-N 2 0 350.507 0.633 20 0 FCADRP Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n(C)n1 ZINC001569401531 1269781808 /nfs/dbraw/zinc/78/18/08/1269781808.db2.gz UPITWEKAGLKKBO-ZIAGYGMSSA-N 2 0 362.478 0.246 20 0 FCADRP Cc1ncc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001570414342 1269880546 /nfs/dbraw/zinc/88/05/46/1269880546.db2.gz SIFRYQVUKGCLSY-RHSMWYFYSA-N 2 0 361.490 0.568 20 0 FCADRP COC[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001570480012 1269889818 /nfs/dbraw/zinc/88/98/18/1269889818.db2.gz UEOASAUEHFXDFY-BRWVUGGUSA-N 2 0 369.506 0.027 20 0 FCADRP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001344032631 1270081776 /nfs/dbraw/zinc/08/17/76/1270081776.db2.gz OVPACSRSRUTWSO-MRXNPFEDSA-N 2 0 363.506 0.512 20 0 FCADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)cc1 ZINC001344437165 1270180369 /nfs/dbraw/zinc/18/03/69/1270180369.db2.gz OFXHCXYVMHJKSL-MTCRFPMVSA-N 2 0 358.442 0.636 20 0 FCADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1)[NH+](C)C ZINC001572954762 1270400875 /nfs/dbraw/zinc/40/08/75/1270400875.db2.gz YXPHJZQFEXCLMQ-IXDOHACOSA-N 2 0 368.522 0.545 20 0 FCADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1OC ZINC001572969908 1270427519 /nfs/dbraw/zinc/42/75/19/1270427519.db2.gz FXPKCBHKVPTWSW-ZIAGYGMSSA-N 2 0 351.451 0.026 20 0 FCADRP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001572997929 1270475640 /nfs/dbraw/zinc/47/56/40/1270475640.db2.gz RDNCTCGKWNVSOI-CVEARBPZSA-N 2 0 368.522 0.281 20 0 FCADRP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580617778 1278571765 /nfs/dbraw/zinc/57/17/65/1278571765.db2.gz KAFHGYPWZQLEAD-OWCLPIDISA-N 2 0 353.463 0.877 20 0 FCADRP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001573518217 1270804946 /nfs/dbraw/zinc/80/49/46/1270804946.db2.gz FFFBHGYQQNEHCU-MRXNPFEDSA-N 2 0 350.511 0.855 20 0 FCADRP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH2+]CC1 ZINC001573771139 1270875550 /nfs/dbraw/zinc/87/55/50/1270875550.db2.gz PBCUDDCVNJNSAK-OAHLLOKOSA-N 2 0 363.510 0.540 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573977960 1270972726 /nfs/dbraw/zinc/97/27/26/1270972726.db2.gz RXZKAVJRIAQRJI-JKSUJKDBSA-N 2 0 372.477 0.577 20 0 FCADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028271 1271009618 /nfs/dbraw/zinc/00/96/18/1271009618.db2.gz PMFAAWLNKWZCGR-IUODEOHRSA-N 2 0 358.450 0.188 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574255532 1271125083 /nfs/dbraw/zinc/12/50/83/1271125083.db2.gz PYZZZSLOVQGYLR-OAHLLOKOSA-N 2 0 358.450 0.331 20 0 FCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574260584 1271131103 /nfs/dbraw/zinc/13/11/03/1271131103.db2.gz NAUBHFBLLXDWBO-GFCCVEGCSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574261674 1271137134 /nfs/dbraw/zinc/13/71/34/1271137134.db2.gz KZTZNYRTIZWBBZ-INIZCTEOSA-N 2 0 357.462 0.897 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574264734 1271140919 /nfs/dbraw/zinc/14/09/19/1271140919.db2.gz LFOAWNAPBNGVTI-GASCZTMLSA-N 2 0 357.462 0.944 20 0 FCADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288936 1271164603 /nfs/dbraw/zinc/16/46/03/1271164603.db2.gz UXDYJZHKDKUWPD-CJNGLKHVSA-N 2 0 372.477 0.863 20 0 FCADRP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574365871 1271233625 /nfs/dbraw/zinc/23/36/25/1271233625.db2.gz MTOMVWCASGISLV-DZGCQCFKSA-N 2 0 372.477 0.578 20 0 FCADRP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574542982 1271324576 /nfs/dbraw/zinc/32/45/76/1271324576.db2.gz GVJKNKOFTLVSLC-QWHCGFSZSA-N 2 0 370.461 0.475 20 0 FCADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574606103 1271412104 /nfs/dbraw/zinc/41/21/04/1271412104.db2.gz FNKUVEKMRFPGMY-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574606408 1271413049 /nfs/dbraw/zinc/41/30/49/1271413049.db2.gz HQETUSCUTJNGOU-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@H](CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574655142 1271454717 /nfs/dbraw/zinc/45/47/17/1271454717.db2.gz XSIOCHIZLHXLSK-CQSZACIVSA-N 2 0 369.473 0.947 20 0 FCADRP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574672664 1271476797 /nfs/dbraw/zinc/47/67/97/1271476797.db2.gz YBOCNQSYPIZCMM-CHWSQXEVSA-N 2 0 358.450 0.332 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786632 1271521298 /nfs/dbraw/zinc/52/12/98/1271521298.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574786753 1271522849 /nfs/dbraw/zinc/52/28/49/1271522849.db2.gz XRLRGGOPEHXRLJ-BBRMVZONSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574786757 1271524124 /nfs/dbraw/zinc/52/41/24/1271524124.db2.gz XRLRGGOPEHXRLJ-CZUORRHYSA-N 2 0 357.462 0.897 20 0 FCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574854514 1271605480 /nfs/dbraw/zinc/60/54/80/1271605480.db2.gz OFOUSBRUBGIVCF-GFCCVEGCSA-N 2 0 356.434 0.298 20 0 FCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874715 1271628103 /nfs/dbraw/zinc/62/81/03/1271628103.db2.gz UPJLMKHEZGSDPR-IUODEOHRSA-N 2 0 358.450 0.473 20 0 FCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328778 1271942143 /nfs/dbraw/zinc/94/21/43/1271942143.db2.gz VKKLBMXBCQAJGH-JZXOWHBKSA-N 2 0 360.506 0.858 20 0 FCADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575390402 1272038288 /nfs/dbraw/zinc/03/82/88/1272038288.db2.gz ZRXPSBBYAKKWAI-RYUDHWBXSA-N 2 0 363.441 0.940 20 0 FCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419875 1272075748 /nfs/dbraw/zinc/07/57/48/1272075748.db2.gz FVWZVEUAQKSYFF-JKSUJKDBSA-N 2 0 352.483 0.019 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001575430435 1272098241 /nfs/dbraw/zinc/09/82/41/1272098241.db2.gz DOQSXDKUFULMPP-ZIAGYGMSSA-N 2 0 372.477 0.674 20 0 FCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001575430431 1272098511 /nfs/dbraw/zinc/09/85/11/1272098511.db2.gz DOQSXDKUFULMPP-KGLIPLIRSA-N 2 0 372.477 0.674 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437703 1272106946 /nfs/dbraw/zinc/10/69/46/1272106946.db2.gz CJWOKJUXNPGRED-UONOGXRCSA-N 2 0 372.477 0.673 20 0 FCADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001575445527 1272117620 /nfs/dbraw/zinc/11/76/20/1272117620.db2.gz UIWXBSDEHVGMDP-INIZCTEOSA-N 2 0 350.467 0.578 20 0 FCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565851 1272201197 /nfs/dbraw/zinc/20/11/97/1272201197.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 2 0 364.494 0.096 20 0 FCADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)CC1 ZINC001575701053 1272319368 /nfs/dbraw/zinc/31/93/68/1272319368.db2.gz VLVUROUSNBMZDP-HNNXBMFYSA-N 2 0 373.509 0.800 20 0 FCADRP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001575701727 1272321749 /nfs/dbraw/zinc/32/17/49/1272321749.db2.gz GPFDZBPHNUZSEX-RDTXWAMCSA-N 2 0 372.473 0.886 20 0 FCADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1CCC[NH+]1CCCC1 ZINC001575716757 1272360102 /nfs/dbraw/zinc/36/01/02/1272360102.db2.gz TUQQRERRNGFOFA-OAHLLOKOSA-N 2 0 363.510 0.830 20 0 FCADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001575722360 1272378564 /nfs/dbraw/zinc/37/85/64/1272378564.db2.gz MQFFZDSXMSCZEA-IXDOHACOSA-N 2 0 353.507 0.885 20 0 FCADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cccn3C)n2CC2([NH3+])COC2)CC1 ZINC001575722322 1272380370 /nfs/dbraw/zinc/38/03/70/1272380370.db2.gz MHJZXLZSTZQAMR-UHFFFAOYSA-N 2 0 373.505 0.978 20 0 FCADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cn(C2C[NH2+]C2)nn1 ZINC001575962368 1272615290 /nfs/dbraw/zinc/61/52/90/1272615290.db2.gz QJOSKIHCPSVYQA-GFCCVEGCSA-N 2 0 354.414 0.587 20 0 FCADRP C[C@H](Cn1c([C@H]2CCC[NH2+]C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001576065426 1272819298 /nfs/dbraw/zinc/81/92/98/1272819298.db2.gz LWRZCPCSBOLPGR-ILXRZTDVSA-N 2 0 363.510 0.362 20 0 FCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576113109 1272902374 /nfs/dbraw/zinc/90/23/74/1272902374.db2.gz AESGAJLEEVHMIQ-BETUJISGSA-N 2 0 358.450 0.687 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576247348 1273026423 /nfs/dbraw/zinc/02/64/23/1273026423.db2.gz OJJROHAVZBHDJQ-CZUORRHYSA-N 2 0 357.462 0.755 20 0 FCADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576247996 1273028666 /nfs/dbraw/zinc/02/86/66/1273028666.db2.gz RUVJJEYQAUPZMI-ZIAGYGMSSA-N 2 0 372.477 0.532 20 0 FCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001576254787 1273037126 /nfs/dbraw/zinc/03/71/26/1273037126.db2.gz FTIOUOCLDWLPGF-ZFWWWQNUSA-N 2 0 372.477 0.673 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576480503 1273320215 /nfs/dbraw/zinc/32/02/15/1273320215.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 0 352.483 0.022 20 0 FCADRP CC[C@H](C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576489185 1273339764 /nfs/dbraw/zinc/33/97/64/1273339764.db2.gz FBZQWJFZLQIWQU-DZGCQCFKSA-N 2 0 372.477 0.947 20 0 FCADRP CC[C@H](C(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576492144 1273349875 /nfs/dbraw/zinc/34/98/75/1273349875.db2.gz KRWRRSSSBPGATH-OAHLLOKOSA-N 2 0 372.477 0.949 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576492595 1273351011 /nfs/dbraw/zinc/35/10/11/1273351011.db2.gz PVKZMFYGAAYAGD-YPMHNXCESA-N 2 0 363.491 0.959 20 0 FCADRP CC[C@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C)[NH+](C)C ZINC001576498158 1273358078 /nfs/dbraw/zinc/35/80/78/1273358078.db2.gz JTVHHTZEIGPFMT-LSDHHAIUSA-N 2 0 360.466 0.577 20 0 FCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576498330 1273358640 /nfs/dbraw/zinc/35/86/40/1273358640.db2.gz KKVSAGPWVMLMSW-ABAIWWIYSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498706 1273359279 /nfs/dbraw/zinc/35/92/79/1273359279.db2.gz DPCLYOJISVAFOA-MRXNPFEDSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576498729 1273360045 /nfs/dbraw/zinc/36/00/45/1273360045.db2.gz MCUNQSCXFXSXRJ-XHDPSFHLSA-N 2 0 363.441 0.940 20 0 FCADRP CC[C@H](C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576501877 1273367910 /nfs/dbraw/zinc/36/79/10/1273367910.db2.gz ZINJEXUZWIYVDW-MRXNPFEDSA-N 2 0 357.462 0.755 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+](CC)CC ZINC001576508997 1273381755 /nfs/dbraw/zinc/38/17/55/1273381755.db2.gz RADCBHFGHRGBOB-IUODEOHRSA-N 2 0 360.466 0.721 20 0 FCADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576512034 1273388107 /nfs/dbraw/zinc/38/81/07/1273388107.db2.gz JDLDAWVXXREAKF-VVLHAWIVSA-N 2 0 369.473 0.753 20 0 FCADRP CC[C@@H](C(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576518205 1273403071 /nfs/dbraw/zinc/40/30/71/1273403071.db2.gz KAICGXNMSGRPFG-CVEARBPZSA-N 2 0 372.477 0.639 20 0 FCADRP CC[C@H](C(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576520620 1273404349 /nfs/dbraw/zinc/40/43/49/1273404349.db2.gz QEAFCUKYZWWTIJ-IAQYHMDHSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@H](C(=O)NC1CC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576520676 1273404750 /nfs/dbraw/zinc/40/47/50/1273404750.db2.gz QVCRVWAAHLBMFS-SEEARECTSA-N 2 0 372.477 0.639 20 0 FCADRP C[NH+](C)CCn1cc(C(=O)N2CCCCC[C@H]([NH2+]Cc3cnn[nH]3)C2)cn1 ZINC001576749276 1273621086 /nfs/dbraw/zinc/62/10/86/1273621086.db2.gz CNADIMASSSRQIS-INIZCTEOSA-N 2 0 374.493 0.737 20 0 FCADRP C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCNCC1=O ZINC001576760284 1273632285 /nfs/dbraw/zinc/63/22/85/1273632285.db2.gz NIRCHTWUEXPDAZ-IXDOHACOSA-N 2 0 358.486 0.928 20 0 FCADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576767258 1273645093 /nfs/dbraw/zinc/64/50/93/1273645093.db2.gz LUKJVBNCUQAWQN-CZUORRHYSA-N 2 0 374.493 0.885 20 0 FCADRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576776186 1273658018 /nfs/dbraw/zinc/65/80/18/1273658018.db2.gz HWHOXOPHUYWOBX-WFASDCNBSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789380 1273684271 /nfs/dbraw/zinc/68/42/71/1273684271.db2.gz GENLPVQZHQIVER-CVEARBPZSA-N 2 0 357.462 0.945 20 0 FCADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576795235 1273696565 /nfs/dbraw/zinc/69/65/65/1273696565.db2.gz HSOIGGNWTMBUHN-CYBMUJFWSA-N 2 0 358.450 0.332 20 0 FCADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794616 1273698322 /nfs/dbraw/zinc/69/83/22/1273698322.db2.gz FCKFYVMWBRUPHP-CVEARBPZSA-N 2 0 357.462 0.803 20 0 FCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)C[C@H](C)O1 ZINC001576801706 1273706655 /nfs/dbraw/zinc/70/66/55/1273706655.db2.gz UFEXDHVCOMCBIL-FCEWJHQRSA-N 2 0 353.507 0.887 20 0 FCADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1C[NH3+] ZINC001576801690 1273707512 /nfs/dbraw/zinc/70/75/12/1273707512.db2.gz SXCCCCVSWBCGOT-QWHCGFSZSA-N 2 0 354.476 0.579 20 0 FCADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576816906 1273734840 /nfs/dbraw/zinc/73/48/40/1273734840.db2.gz LTTZMZSEYZNQCW-NSHDSACASA-N 2 0 351.480 0.864 20 0 FCADRP CC[C@H](CNC(=O)C[NH+](CC)CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576822319 1273743806 /nfs/dbraw/zinc/74/38/06/1273743806.db2.gz FVROGSABGRIZQB-CYBMUJFWSA-N 2 0 360.466 0.641 20 0 FCADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823433 1273745278 /nfs/dbraw/zinc/74/52/78/1273745278.db2.gz MNARFOGCLCTFGQ-JSGCOSHPSA-N 2 0 372.477 0.641 20 0 FCADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825773 1273749120 /nfs/dbraw/zinc/74/91/20/1273749120.db2.gz WBJHLUMKOACUHU-ZDUSSCGKSA-N 2 0 360.466 0.639 20 0 FCADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576825870 1273752218 /nfs/dbraw/zinc/75/22/18/1273752218.db2.gz XMHBEMYDSADHNF-MRXNPFEDSA-N 2 0 357.462 0.947 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH2+]1 ZINC001576830548 1273756428 /nfs/dbraw/zinc/75/64/28/1273756428.db2.gz GYVGDLGROIMELG-VKJFTORMSA-N 2 0 364.494 0.037 20 0 FCADRP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCOCC[NH+](C)C)C[C@H]1[NH3+] ZINC001576833234 1273759685 /nfs/dbraw/zinc/75/96/85/1273759685.db2.gz RMCIKTKPAJHLKO-OAGGEKHMSA-N 2 0 366.510 0.881 20 0 FCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850004 1273800303 /nfs/dbraw/zinc/80/03/03/1273800303.db2.gz NZJPLQXRMWJPLR-ZNMIVQPWSA-N 2 0 361.494 0.464 20 0 FCADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]2C[NH2+]CCc2cn[nH]n2)CC1 ZINC001576884586 1273871065 /nfs/dbraw/zinc/87/10/65/1273871065.db2.gz XRWCKOKTIYCIRL-HNNXBMFYSA-N 2 0 350.467 0.039 20 0 FCADRP CC[C@@H]([NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001577139189 1274190172 /nfs/dbraw/zinc/19/01/72/1274190172.db2.gz SOWWXAQOFRAYJE-ZIAGYGMSSA-N 2 0 363.510 0.887 20 0 FCADRP CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577444692 1274411190 /nfs/dbraw/zinc/41/11/90/1274411190.db2.gz CSJWELUECAPGKZ-IYOUNJFTSA-N 2 0 361.494 0.499 20 0 FCADRP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001577476660 1274432666 /nfs/dbraw/zinc/43/26/66/1274432666.db2.gz AKURROYGMXHVDZ-KBPBESRZSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577546799 1274486041 /nfs/dbraw/zinc/48/60/41/1274486041.db2.gz AWQUNTQZYCQKGK-UHFFFAOYSA-N 2 0 358.450 0.427 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550911 1274490840 /nfs/dbraw/zinc/49/08/40/1274490840.db2.gz OMICRKCZXHANQN-SWLSCSKDSA-N 2 0 358.450 0.284 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577560816 1274508381 /nfs/dbraw/zinc/50/83/81/1274508381.db2.gz IHHDZDIJWOREFL-ZDUSSCGKSA-N 2 0 358.450 0.607 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577565111 1274519611 /nfs/dbraw/zinc/51/96/11/1274519611.db2.gz ILKPTNAGFLEZOK-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577565162 1274520041 /nfs/dbraw/zinc/52/00/41/1274520041.db2.gz LGSIJHZUFRZELL-SHTZXODSSA-N 2 0 357.462 0.945 20 0 FCADRP CCC[N@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577568523 1274525993 /nfs/dbraw/zinc/52/59/93/1274525993.db2.gz SWRHEEHCUMCAFX-BBRMVZONSA-N 2 0 372.477 0.674 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573795 1274537414 /nfs/dbraw/zinc/53/74/14/1274537414.db2.gz BVFMGFUOLRXINE-CQSZACIVSA-N 2 0 372.477 0.936 20 0 FCADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574121 1274537429 /nfs/dbraw/zinc/53/74/29/1274537429.db2.gz OUIWMCTYINFGPX-CYBMUJFWSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574355 1274540980 /nfs/dbraw/zinc/54/09/80/1274540980.db2.gz XGZKTHVLHCPUID-CYBMUJFWSA-N 2 0 360.466 0.641 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667152 1274685227 /nfs/dbraw/zinc/68/52/27/1274685227.db2.gz BGAKDSLUPGZGDD-BBRMVZONSA-N 2 0 372.477 0.722 20 0 FCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669148 1274694215 /nfs/dbraw/zinc/69/42/15/1274694215.db2.gz OWBWOQIQWHBMKN-BBRMVZONSA-N 2 0 372.477 0.865 20 0 FCADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001577763578 1274848165 /nfs/dbraw/zinc/84/81/65/1274848165.db2.gz FMAFDKLACIJTNN-LSDHHAIUSA-N 2 0 356.478 0.862 20 0 FCADRP CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC001577778262 1274871996 /nfs/dbraw/zinc/87/19/96/1274871996.db2.gz OVQZVXTVZVVTDQ-DOTOQJQBSA-N 2 0 361.538 0.967 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577852392 1274995979 /nfs/dbraw/zinc/99/59/79/1274995979.db2.gz QCYDNGUSMMBUQH-INIZCTEOSA-N 2 0 357.462 0.899 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855575 1275005006 /nfs/dbraw/zinc/00/50/06/1275005006.db2.gz JVQQOLXOVSPHLM-CYBMUJFWSA-N 2 0 358.450 0.428 20 0 FCADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577855268 1275006692 /nfs/dbraw/zinc/00/66/92/1275006692.db2.gz AGYNGQQFAXCFBQ-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001577861657 1275028142 /nfs/dbraw/zinc/02/81/42/1275028142.db2.gz YYPWZXFBCUSJMI-GOEBONIOSA-N 2 0 358.494 0.961 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577863497 1275038031 /nfs/dbraw/zinc/03/80/31/1275038031.db2.gz WSPIHOHUODQQKA-CYBMUJFWSA-N 2 0 360.466 0.853 20 0 FCADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867087 1275049810 /nfs/dbraw/zinc/04/98/10/1275049810.db2.gz UNDRHIXHJCGNMV-CQSZACIVSA-N 2 0 372.477 0.854 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888043 1275093805 /nfs/dbraw/zinc/09/38/05/1275093805.db2.gz AVJUAIBODGXTAJ-UONOGXRCSA-N 2 0 372.477 0.722 20 0 FCADRP CC[NH+](CC)CC(=O)NC1CC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888119 1275094068 /nfs/dbraw/zinc/09/40/68/1275094068.db2.gz CVVQSDURNXYHFZ-UHFFFAOYSA-N 2 0 372.477 0.641 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577891710 1275099346 /nfs/dbraw/zinc/09/93/46/1275099346.db2.gz GYERRDUJCYTVRK-ZDUSSCGKSA-N 2 0 358.450 0.607 20 0 FCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577892846 1275102369 /nfs/dbraw/zinc/10/23/69/1275102369.db2.gz UIZXEOZEWBOJRW-DZGCQCFKSA-N 2 0 372.477 0.722 20 0 FCADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001577933001 1275146884 /nfs/dbraw/zinc/14/68/84/1275146884.db2.gz WQZQBKHQBILZIY-OAHLLOKOSA-N 2 0 353.463 0.243 20 0 FCADRP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577947109 1275167749 /nfs/dbraw/zinc/16/77/49/1275167749.db2.gz UFABINQCWRBWHO-HNNXBMFYSA-N 2 0 372.477 0.997 20 0 FCADRP O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cn[nH]n1)C2)C12CCC[NH+]1CCC2 ZINC001577981564 1275212557 /nfs/dbraw/zinc/21/25/57/1275212557.db2.gz VQQRDEFBBZOZIL-UAGQMJEPSA-N 2 0 358.490 0.945 20 0 FCADRP O=C(NC[C@H](CO)[NH2+]CCc1cn[nH]n1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986370 1275224323 /nfs/dbraw/zinc/22/43/23/1275224323.db2.gz AVBGLGFUBQTAPE-NVXWUHKLSA-N 2 0 364.494 0.211 20 0 FCADRP CCOCc1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001578129659 1275428513 /nfs/dbraw/zinc/42/85/13/1275428513.db2.gz KSQNWQGMVUGQJT-ZQIUZPCESA-N 2 0 352.483 0.055 20 0 FCADRP CCOCc1nnc(N2CC[C@H]3CC[NH2+][C@H]3C2)n1CCOCC[NH+](C)C ZINC001578145118 1275444235 /nfs/dbraw/zinc/44/42/35/1275444235.db2.gz ZGKOALIWPBPIDC-CVEARBPZSA-N 2 0 366.510 0.581 20 0 FCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@@H+]1C ZINC001578160093 1275458608 /nfs/dbraw/zinc/45/86/08/1275458608.db2.gz TYNWADAQYBHIRS-KBRIMQKVSA-N 2 0 350.507 0.679 20 0 FCADRP CC[NH+]1CCC(C[NH+]2CCN(c3c(-c4nn[nH]n4)c(C)nn3C)CC2)CC1 ZINC001578215337 1275509220 /nfs/dbraw/zinc/50/92/20/1275509220.db2.gz LWMRISIMFUCIED-UHFFFAOYSA-N 2 0 373.509 0.763 20 0 FCADRP CCc1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1CCC[NH+]1CCC(O)CC1 ZINC001578308183 1275644814 /nfs/dbraw/zinc/64/48/14/1275644814.db2.gz DTTBQGRLQQRUAD-CABCVRRESA-N 2 0 350.511 0.861 20 0 FCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578397762 1275772072 /nfs/dbraw/zinc/77/20/72/1275772072.db2.gz XFHKOIKWBWEPNC-JKSUJKDBSA-N 2 0 353.511 0.618 20 0 FCADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H](C(F)(F)F)C[NH2+]2)CC1 ZINC001578418324 1275787353 /nfs/dbraw/zinc/78/73/53/1275787353.db2.gz GLAWRUHGDCRKKP-KBPBESRZSA-N 2 0 350.429 0.917 20 0 FCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001578421576 1275790288 /nfs/dbraw/zinc/79/02/88/1275790288.db2.gz UWYPOMKKSXCGFY-CYBMUJFWSA-N 2 0 355.389 0.966 20 0 FCADRP CN(C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)C(=O)OC(C)(C)C ZINC001578451873 1275850244 /nfs/dbraw/zinc/85/02/44/1275850244.db2.gz AJCUGJCWYGGMCX-OAHLLOKOSA-N 2 0 354.495 0.997 20 0 FCADRP CC[C@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578471536 1275883945 /nfs/dbraw/zinc/88/39/45/1275883945.db2.gz OQVPMLKSDBJWOF-KOHJWAIASA-N 2 0 358.450 0.425 20 0 FCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578525098 1275958070 /nfs/dbraw/zinc/95/80/70/1275958070.db2.gz OXZSGVPDDMVIGA-INIZCTEOSA-N 2 0 353.511 0.175 20 0 FCADRP C[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2C[NH3+])(N2CCOCC2)CC1 ZINC001578522717 1275958182 /nfs/dbraw/zinc/95/81/82/1275958182.db2.gz AHAISRRGYGPCGV-MRXNPFEDSA-N 2 0 353.511 0.306 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCC(F)(F)CC2)C1 ZINC001578525875 1275958330 /nfs/dbraw/zinc/95/83/30/1275958330.db2.gz SGNDMUMWHKFNKN-DVOMOZLQSA-N 2 0 370.448 0.785 20 0 FCADRP C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578525602 1275958345 /nfs/dbraw/zinc/95/83/45/1275958345.db2.gz JPXSKZXRQJEQEA-KBXCAEBGSA-N 2 0 357.462 0.192 20 0 FCADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529743 1275961937 /nfs/dbraw/zinc/96/19/37/1275961937.db2.gz ZHRPTHUTVZXIML-DLBZAZTESA-N 2 0 356.470 0.798 20 0 FCADRP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001578578151 1276011442 /nfs/dbraw/zinc/01/14/42/1276011442.db2.gz DGXJJFBRTUKICC-KBXIAJHMSA-N 2 0 361.494 0.510 20 0 FCADRP C[NH2+][C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)CCOC)C1 ZINC001578601276 1276032723 /nfs/dbraw/zinc/03/27/23/1276032723.db2.gz AYBXXBVHRFRJLZ-CVEARBPZSA-N 2 0 366.510 0.548 20 0 FCADRP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)CCOC)C1 ZINC001578615591 1276052202 /nfs/dbraw/zinc/05/22/02/1276052202.db2.gz NSYRTOWMQCNUNV-JKSUJKDBSA-N 2 0 366.510 0.548 20 0 FCADRP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784195 1276265819 /nfs/dbraw/zinc/26/58/19/1276265819.db2.gz RYSUIHXIQDNEKH-OSRDXIQISA-N 2 0 351.403 0.089 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC12C[NH2+]C2 ZINC001578794066 1276279380 /nfs/dbraw/zinc/27/93/80/1276279380.db2.gz BGNYEXHWFRLKFU-OAHLLOKOSA-N 2 0 354.495 0.903 20 0 FCADRP COC(=O)[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC12C[NH2+]C2 ZINC001578795774 1276284070 /nfs/dbraw/zinc/28/40/70/1276284070.db2.gz RWFHAKGAGWGDFB-ZIAGYGMSSA-N 2 0 354.495 0.757 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC001578843442 1276363641 /nfs/dbraw/zinc/36/36/41/1276363641.db2.gz UBVVEYUYSJRILH-XZLOLGPPSA-N 2 0 364.490 0.925 20 0 FCADRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC001578843441 1276364109 /nfs/dbraw/zinc/36/41/09/1276364109.db2.gz UBVVEYUYSJRILH-PPLBCVRQSA-N 2 0 364.490 0.925 20 0 FCADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578877887 1276407239 /nfs/dbraw/zinc/40/72/39/1276407239.db2.gz CKEGKYSOXXAEQU-QGZVFWFLSA-N 2 0 369.473 0.995 20 0 FCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893438 1276429108 /nfs/dbraw/zinc/42/91/08/1276429108.db2.gz JYUSAIXKSPTXBK-IAGOWNOFSA-N 2 0 369.473 0.994 20 0 FCADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001578965843 1276509540 /nfs/dbraw/zinc/50/95/40/1276509540.db2.gz ZCDRNTZJCNNOAU-ZDUSSCGKSA-N 2 0 370.461 0.571 20 0 FCADRP COC[C@@]1(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC[NH2+]C1 ZINC001578972445 1276517727 /nfs/dbraw/zinc/51/77/27/1276517727.db2.gz LZYILNKACLUZIM-LJQANCHMSA-N 2 0 352.523 0.489 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578974551 1276522440 /nfs/dbraw/zinc/52/24/40/1276522440.db2.gz OXNAEVDUUWZVKC-INIZCTEOSA-N 2 0 357.462 0.851 20 0 FCADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578974015 1276522885 /nfs/dbraw/zinc/52/28/85/1276522885.db2.gz GULGIPYWCNQJFU-GFCCVEGCSA-N 2 0 363.491 0.818 20 0 FCADRP C[NH+](C)CCC(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578976144 1276526049 /nfs/dbraw/zinc/52/60/49/1276526049.db2.gz PBPGRPAWGPIPJL-QGZVFWFLSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578976431 1276528517 /nfs/dbraw/zinc/52/85/17/1276528517.db2.gz ZRYHFENERYBQEC-UHFFFAOYSA-N 2 0 363.491 0.864 20 0 FCADRP CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578981849 1276543707 /nfs/dbraw/zinc/54/37/07/1276543707.db2.gz AHBBKOUHZJSKLU-AWEZNQCLSA-N 2 0 372.477 0.888 20 0 FCADRP C[NH+](C)CCCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578984956 1276550202 /nfs/dbraw/zinc/55/02/02/1276550202.db2.gz AQVMHYLDMXBAPY-OAHLLOKOSA-N 2 0 358.450 0.332 20 0 FCADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578987966 1276559694 /nfs/dbraw/zinc/55/96/94/1276559694.db2.gz JNOAMMZYSSICPY-KOMQPUFPSA-N 2 0 357.462 0.803 20 0 FCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578987999 1276560149 /nfs/dbraw/zinc/56/01/49/1276560149.db2.gz LMXSVTHXNDFNQG-OKILXGFUSA-N 2 0 361.425 0.694 20 0 FCADRP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001579014918 1276590070 /nfs/dbraw/zinc/59/00/70/1276590070.db2.gz ULBIZNRIUYOKDQ-ARFHVFGLSA-N 2 0 366.510 0.534 20 0 FCADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC001579025548 1276608056 /nfs/dbraw/zinc/60/80/56/1276608056.db2.gz BZMLNYZISJZJRF-UHFFFAOYSA-N 2 0 355.527 0.282 20 0 FCADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH3+])C[C@@H]1C ZINC001579037575 1276621500 /nfs/dbraw/zinc/62/15/00/1276621500.db2.gz RWCXMLDMCWWSPZ-HRCADAONSA-N 2 0 366.510 0.881 20 0 FCADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nn[nH]n1 ZINC001579166970 1276917838 /nfs/dbraw/zinc/91/78/38/1276917838.db2.gz MOBKKKNRSBFBJC-UHFFFAOYSA-N 2 0 355.446 0.511 20 0 FCADRP COc1cccc(C[C@@H]2CN(C(=O)c3cn(C4C[NH2+]C4)nn3)CC[NH2+]2)c1 ZINC001579273926 1277080779 /nfs/dbraw/zinc/08/07/79/1277080779.db2.gz KGRBSPUKZVBRIV-CQSZACIVSA-N 2 0 356.430 0.088 20 0 FCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323104 1277140705 /nfs/dbraw/zinc/14/07/05/1277140705.db2.gz PPVAWOOUGATEDT-KLAILNCOSA-N 2 0 369.473 0.897 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325690 1277145570 /nfs/dbraw/zinc/14/55/70/1277145570.db2.gz FGWOPKCOLTVPIQ-IAGOWNOFSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326304 1277148667 /nfs/dbraw/zinc/14/86/67/1277148667.db2.gz JJNHDTSKYOEIHN-CHWSQXEVSA-N 2 0 356.434 0.038 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326485 1277149726 /nfs/dbraw/zinc/14/97/26/1277149726.db2.gz JYFQMSSUVNBOSH-LSDHHAIUSA-N 2 0 355.446 0.509 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325960 1277150349 /nfs/dbraw/zinc/15/03/49/1277150349.db2.gz LTLLEUWMUUMSQI-KGLIPLIRSA-N 2 0 370.461 0.286 20 0 FCADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579329132 1277157595 /nfs/dbraw/zinc/15/75/95/1277157595.db2.gz NGAMRGQTKYREKU-KRWDZBQOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333018 1277165719 /nfs/dbraw/zinc/16/57/19/1277165719.db2.gz NRQHUTFTTXFHPT-KZULUSFZSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333188 1277165781 /nfs/dbraw/zinc/16/57/81/1277165781.db2.gz OTQLCWRINTWVIA-DOMZBBRYSA-N 2 0 372.477 0.578 20 0 FCADRP C[NH+]1CCC(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)CC1 ZINC001579333259 1277168116 /nfs/dbraw/zinc/16/81/16/1277168116.db2.gz OXZNTENXKQJDTR-UHFFFAOYSA-N 2 0 370.461 0.476 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334768 1277173388 /nfs/dbraw/zinc/17/33/88/1277173388.db2.gz ZYHIMTKVYKXDCH-HSBZDZAISA-N 2 0 370.461 0.475 20 0 FCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335268 1277176136 /nfs/dbraw/zinc/17/61/36/1277176136.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339772 1277183536 /nfs/dbraw/zinc/18/35/36/1277183536.db2.gz LYJDMTSEHGKJHO-MGPQQGTHSA-N 2 0 373.436 0.694 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341464 1277189234 /nfs/dbraw/zinc/18/92/34/1277189234.db2.gz MSAKPZXILVNVDC-KBPBESRZSA-N 2 0 370.461 0.428 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341391 1277189240 /nfs/dbraw/zinc/18/92/40/1277189240.db2.gz KARPDAZHJHECLY-GOEBONIOSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579344218 1277194761 /nfs/dbraw/zinc/19/47/61/1277194761.db2.gz OEUINLBFXHKUJO-WBVHZDCISA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579343993 1277194852 /nfs/dbraw/zinc/19/48/52/1277194852.db2.gz BMTINHXLAPIFNI-AWEZNQCLSA-N 2 0 369.473 0.947 20 0 FCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343909 1277195205 /nfs/dbraw/zinc/19/52/05/1277195205.db2.gz NHYKNCLATSRATB-BLLLJJGKSA-N 2 0 370.461 0.332 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579345138 1277196798 /nfs/dbraw/zinc/19/67/98/1277196798.db2.gz JHJJAWUOIWCAFT-OAHLLOKOSA-N 2 0 369.473 0.757 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579348196 1277203317 /nfs/dbraw/zinc/20/33/17/1277203317.db2.gz WHZZSFWMKFEUJB-OIISXLGYSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353888 1277217366 /nfs/dbraw/zinc/21/73/66/1277217366.db2.gz WBDYKPALEGOKDD-XJKSGUPXSA-N 2 0 370.461 0.571 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359785 1277233708 /nfs/dbraw/zinc/23/37/08/1277233708.db2.gz DFRMBKQVQFJKEL-BZUAXINKSA-N 2 0 355.446 0.698 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579370128 1277253685 /nfs/dbraw/zinc/25/36/85/1277253685.db2.gz VCIBAHNKDABPRF-RHSMWYFYSA-N 2 0 369.473 0.899 20 0 FCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579370021 1277254448 /nfs/dbraw/zinc/25/44/48/1277254448.db2.gz JFKSBGTYGSYHHW-MRXNPFEDSA-N 2 0 370.461 0.428 20 0 FCADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001579397036 1277280328 /nfs/dbraw/zinc/28/03/28/1277280328.db2.gz DIVMGTZRZSWQQB-DOTOQJQBSA-N 2 0 350.511 0.809 20 0 FCADRP C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC[NH+](C)C)CC[NH2+]1 ZINC001579448698 1277338352 /nfs/dbraw/zinc/33/83/52/1277338352.db2.gz ZFLJFRZDDXFAOL-HUUCEWRRSA-N 2 0 352.483 0.506 20 0 FCADRP C[C@H]1C[N@H+](CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C(=O)c1cscn1 ZINC001579490388 1277402452 /nfs/dbraw/zinc/40/24/52/1277402452.db2.gz QDTRPEQXLRUSCW-NRMMMPIQSA-N 2 0 350.488 0.935 20 0 FCADRP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001579522795 1277478228 /nfs/dbraw/zinc/47/82/28/1277478228.db2.gz YILGVVRMQVERDK-ZDUSSCGKSA-N 2 0 354.458 0.998 20 0 FCADRP Cc1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CC[NH3+])n1 ZINC001579749293 1277858034 /nfs/dbraw/zinc/85/80/34/1277858034.db2.gz PYPHOFQPLYRCHL-MRXNPFEDSA-N 2 0 371.489 0.766 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001579966628 1277981565 /nfs/dbraw/zinc/98/15/65/1277981565.db2.gz QNMXWPQVPFYNNC-HNNXBMFYSA-N 2 0 373.461 0.518 20 0 FCADRP NC(=O)C1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001580089037 1278003907 /nfs/dbraw/zinc/00/39/07/1278003907.db2.gz HUUIVKKQADHVRR-IYBDPMFKSA-N 2 0 373.505 0.446 20 0 FCADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001580859239 1279053297 /nfs/dbraw/zinc/05/32/97/1279053297.db2.gz WFWAZCOKOPFDJY-JKSUJKDBSA-N 2 0 357.454 0.965 20 0 FCADRP O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001580869807 1279073160 /nfs/dbraw/zinc/07/31/60/1279073160.db2.gz JXRMZECXDAUKMC-IRXDYDNUSA-N 2 0 353.488 0.425 20 0 FCADRP CC(C)[C@H](C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001603200514 1287328173 /nfs/dbraw/zinc/32/81/73/1287328173.db2.gz DCVPIFGBPSQRTQ-IUODEOHRSA-N 2 0 360.466 0.789 20 0 FCADRP Cc1cc(N(C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942838 1279151292 /nfs/dbraw/zinc/15/12/92/1279151292.db2.gz SSGVJLRXSKUWRN-AWEZNQCLSA-N 2 0 372.477 0.947 20 0 FCADRP Cc1cc(N(CCNC(=O)C[NH+]2CCCC2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949594 1279155098 /nfs/dbraw/zinc/15/50/98/1279155098.db2.gz HHYNYYHXPNIXAJ-UHFFFAOYSA-N 2 0 370.461 0.751 20 0 FCADRP Cc1cc(N(C)CCNC(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949093 1279155355 /nfs/dbraw/zinc/15/53/55/1279155355.db2.gz NKZRGNWHSSKTGY-UHFFFAOYSA-N 2 0 372.477 0.854 20 0 FCADRP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956712 1279160099 /nfs/dbraw/zinc/16/00/99/1279160099.db2.gz MOVOOUAOCGZNMS-ZIAGYGMSSA-N 2 0 370.461 0.464 20 0 FCADRP Cc1cc(N2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962039 1279167318 /nfs/dbraw/zinc/16/73/18/1279167318.db2.gz NMGZZWOWHCVHHX-ZIAGYGMSSA-N 2 0 372.477 0.995 20 0 FCADRP Cc1cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972912 1279173600 /nfs/dbraw/zinc/17/36/00/1279173600.db2.gz MAMLMKYKKZBIGG-JSGCOSHPSA-N 2 0 370.461 0.607 20 0 FCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974526 1279174333 /nfs/dbraw/zinc/17/43/33/1279174333.db2.gz HZXIRCIGSVJVNQ-KCQAQPDRSA-N 2 0 368.445 0.454 20 0 FCADRP Cc1cc(N[C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988784 1279188498 /nfs/dbraw/zinc/18/84/98/1279188498.db2.gz URQHAOMJPZKJDO-WBMJQRKESA-N 2 0 374.493 0.885 20 0 FCADRP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990023 1279191768 /nfs/dbraw/zinc/19/17/68/1279191768.db2.gz PAVDPEMMOIZELC-QWHCGFSZSA-N 2 0 358.450 0.393 20 0 FCADRP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991432 1279195485 /nfs/dbraw/zinc/19/54/85/1279195485.db2.gz OZXHWDMKMZQZLH-IACUBPJLSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992955 1279197561 /nfs/dbraw/zinc/19/75/61/1279197561.db2.gz BWXJYLSYNWRCJI-ZDUSSCGKSA-N 2 0 372.477 0.735 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993042 1279197685 /nfs/dbraw/zinc/19/76/85/1279197685.db2.gz FGXBTDPQCQYQNG-CVEARBPZSA-N 2 0 372.477 0.639 20 0 FCADRP Cc1cc(N[C@H](CNC(=O)CCC[NH+](C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993055 1279198018 /nfs/dbraw/zinc/19/80/18/1279198018.db2.gz FMYRBBMWOLOBRG-MRXNPFEDSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995053 1279205811 /nfs/dbraw/zinc/20/58/11/1279205811.db2.gz WMBYGDBCQBXGDK-SWLSCSKDSA-N 2 0 360.466 0.495 20 0 FCADRP Cc1cc(N[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006133 1279224027 /nfs/dbraw/zinc/22/40/27/1279224027.db2.gz LKQYBNZJGGIQAF-KGLIPLIRSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010150 1279235283 /nfs/dbraw/zinc/23/52/83/1279235283.db2.gz GHSQIZISFOCLIF-WCQYABFASA-N 2 0 358.450 0.108 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010117 1279235924 /nfs/dbraw/zinc/23/59/24/1279235924.db2.gz FEUOQLANQAPAFB-STQMWFEESA-N 2 0 372.477 0.498 20 0 FCADRP Cc1cc(NC[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010264 1279236418 /nfs/dbraw/zinc/23/64/18/1279236418.db2.gz IFJKMEGATLDITA-XHDPSFHLSA-N 2 0 358.450 0.250 20 0 FCADRP Cc1cc(NC[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022199 1279253141 /nfs/dbraw/zinc/25/31/41/1279253141.db2.gz WPZLNTWDVSKXPZ-AWEZNQCLSA-N 2 0 370.461 0.491 20 0 FCADRP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022579 1279253303 /nfs/dbraw/zinc/25/33/03/1279253303.db2.gz CVVDMAJAKMIJKA-CJNGLKHVSA-N 2 0 370.461 0.347 20 0 FCADRP Cc1cc(NC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024950 1279256686 /nfs/dbraw/zinc/25/66/86/1279256686.db2.gz LOWSZDMPNHIBHP-MWWKQMNYSA-N 2 0 372.477 0.663 20 0 FCADRP Cc1cc(NCCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027178 1279260612 /nfs/dbraw/zinc/26/06/12/1279260612.db2.gz MWQMZWLRJWHWEZ-AWEZNQCLSA-N 2 0 372.477 0.785 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030772 1279267867 /nfs/dbraw/zinc/26/78/67/1279267867.db2.gz MTRUMCNKEQNIHE-JHJVBQTASA-N 2 0 358.450 0.249 20 0 FCADRP Cc1cc(NC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031004 1279269052 /nfs/dbraw/zinc/26/90/52/1279269052.db2.gz YBZBEQSNHCBEGJ-CQSZACIVSA-N 2 0 372.477 0.641 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039278 1279278313 /nfs/dbraw/zinc/27/83/13/1279278313.db2.gz RKQWYROUSCRJIV-XJKCOSOUSA-N 2 0 372.477 0.637 20 0 FCADRP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC001581151564 1279453709 /nfs/dbraw/zinc/45/37/09/1279453709.db2.gz FZXBLLNFUPKPAO-HZPDHXFCSA-N 2 0 371.489 0.987 20 0 FCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582097751 1281051955 /nfs/dbraw/zinc/05/19/55/1281051955.db2.gz MGRGJEXGFPRNAD-HNNXBMFYSA-N 2 0 373.436 0.792 20 0 FCADRP O=C(N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001582217222 1281197321 /nfs/dbraw/zinc/19/73/21/1281197321.db2.gz MJRXUUFHALODFH-GFCCVEGCSA-N 2 0 373.486 0.715 20 0 FCADRP O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582480283 1281616917 /nfs/dbraw/zinc/61/69/17/1281616917.db2.gz XNSOFRNUZRXXSI-UHFFFAOYSA-N 2 0 367.457 0.511 20 0 FCADRP CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604296460 1287598262 /nfs/dbraw/zinc/59/82/62/1287598262.db2.gz IOGXUXFNTXMBPJ-ZDUSSCGKSA-N 2 0 358.450 0.546 20 0 FCADRP C[C@@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001589826961 1283064434 /nfs/dbraw/zinc/06/44/34/1283064434.db2.gz MYIGUNKBHFXVLU-LBPRGKRZSA-N 2 0 363.441 0.942 20 0 FCADRP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001589827715 1283065380 /nfs/dbraw/zinc/06/53/80/1283065380.db2.gz CPWXDMYTJLPDOR-XJKSGUPXSA-N 2 0 357.462 0.945 20 0 FCADRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC001589869595 1283102736 /nfs/dbraw/zinc/10/27/36/1283102736.db2.gz IABAMRUSPJSKBS-LSDHHAIUSA-N 2 0 360.462 0.928 20 0 FCADRP C[C@@H]([NH3+])CN(C)C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589913138 1283121907 /nfs/dbraw/zinc/12/19/07/1283121907.db2.gz NCDUACBTJXTSPZ-CYBMUJFWSA-N 2 0 372.477 0.820 20 0 FCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCC[NH+](C)C ZINC001590174854 1283280354 /nfs/dbraw/zinc/28/03/54/1283280354.db2.gz IFHKPCMGIFQPGG-HIFRSBDPSA-N 2 0 372.477 0.817 20 0 FCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(=O)[nH]n1 ZINC001681411228 1283494327 /nfs/dbraw/zinc/49/43/27/1283494327.db2.gz FRFCOVKPWWFUEP-HNNXBMFYSA-N 2 0 350.467 0.740 20 0 FCADRP CC[C@H](C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)[NH+](C)C ZINC001590370314 1283504387 /nfs/dbraw/zinc/50/43/87/1283504387.db2.gz DYOIYJOBIRGFEK-CQSZACIVSA-N 2 0 361.450 0.421 20 0 FCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682494847 1283623506 /nfs/dbraw/zinc/62/35/06/1283623506.db2.gz DSDZEEYGHSKGRW-BZUAXINKSA-N 2 0 366.506 0.033 20 0 FCADRP CCC[N@H+](C)CC(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590618281 1283652974 /nfs/dbraw/zinc/65/29/74/1283652974.db2.gz FBUDBVSMFMGYIO-UHFFFAOYSA-N 2 0 360.466 0.594 20 0 FCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001590634008 1283673288 /nfs/dbraw/zinc/67/32/88/1283673288.db2.gz YXOGDMMBIPCYMM-CQSZACIVSA-N 2 0 372.477 0.642 20 0 FCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001682576654 1283693826 /nfs/dbraw/zinc/69/38/26/1283693826.db2.gz KUEBXNCMEPARLF-IAGOWNOFSA-N 2 0 368.522 0.137 20 0 FCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590733296 1283766570 /nfs/dbraw/zinc/76/65/70/1283766570.db2.gz NDRGBOLNIWDUPB-MRXNPFEDSA-N 2 0 357.462 0.947 20 0 FCADRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001591020551 1284074384 /nfs/dbraw/zinc/07/43/84/1284074384.db2.gz OTKJDIUUCPZXST-UHFFFAOYSA-N 2 0 370.465 0.025 20 0 FCADRP C[NH+](C)C[C@@H]1CN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C[C@H]1C[NH+](C)C ZINC001591021109 1284078442 /nfs/dbraw/zinc/07/84/42/1284078442.db2.gz CTLYFDGRJSPYFW-HUUCEWRRSA-N 2 0 370.505 0.926 20 0 FCADRP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591070022 1284128963 /nfs/dbraw/zinc/12/89/63/1284128963.db2.gz PXIAJEDUJWNHAY-UHFFFAOYSA-N 2 0 369.473 0.901 20 0 FCADRP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001591088886 1284158565 /nfs/dbraw/zinc/15/85/65/1284158565.db2.gz FQOAGMFTMOFYJP-UHFFFAOYSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](Cc1cc(C[N@@H+](C)C2(CO)CC2)cc(-c2nn[nH]n2)c1)C1(CO)CC1 ZINC001591131483 1284204439 /nfs/dbraw/zinc/20/44/39/1284204439.db2.gz YZUILJUVDJYRJO-UHFFFAOYSA-N 2 0 372.473 0.780 20 0 FCADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175095 1284263849 /nfs/dbraw/zinc/26/38/49/1284263849.db2.gz GRKZYEFIWHVZSZ-BAABZTOOSA-N 2 0 373.436 0.720 20 0 FCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591176863 1284268998 /nfs/dbraw/zinc/26/89/98/1284268998.db2.gz WHZZSFWMKFEUJB-DJIMGWMZSA-N 2 0 369.473 0.945 20 0 FCADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001591187340 1284298643 /nfs/dbraw/zinc/29/86/43/1284298643.db2.gz PQRLLTOZNGJTNX-HNNXBMFYSA-N 2 0 361.425 0.696 20 0 FCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)c(-c3nn[nH]n3)c1)C2 ZINC001591284491 1284443170 /nfs/dbraw/zinc/44/31/70/1284443170.db2.gz OPZMSIAHYDVXPH-IYOUNJFTSA-N 2 0 356.430 0.887 20 0 FCADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604683802 1287730629 /nfs/dbraw/zinc/73/06/29/1287730629.db2.gz MQOOJNJGUFGPKC-AWEZNQCLSA-N 2 0 372.477 0.818 20 0 FCADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604681469 1287729950 /nfs/dbraw/zinc/72/99/50/1287729950.db2.gz ZNXIOYABUBYMCZ-KRWDZBQOSA-N 2 0 359.478 0.516 20 0 FCADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[nH]n1 ZINC001591526493 1284713436 /nfs/dbraw/zinc/71/34/36/1284713436.db2.gz SOPVRQLNBSMGKW-ZDUSSCGKSA-N 2 0 359.434 0.162 20 0 FCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001591562278 1284734682 /nfs/dbraw/zinc/73/46/82/1284734682.db2.gz XDLHODBTTJTJSU-HNNXBMFYSA-N 2 0 373.461 0.565 20 0 FCADRP Cc1cc(NCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049217 1285094285 /nfs/dbraw/zinc/09/42/85/1285094285.db2.gz LBLOPJGRJCTXGA-CZUORRHYSA-N 2 0 370.461 0.537 20 0 FCADRP Cc1cc(NCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049194 1285094480 /nfs/dbraw/zinc/09/44/80/1285094480.db2.gz KGMQOLSDXWJLAC-XJKSGUPXSA-N 2 0 370.461 0.537 20 0 FCADRP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592056208 1285100027 /nfs/dbraw/zinc/10/00/27/1285100027.db2.gz VQOVMSOFXWQFOW-XJKCOSOUSA-N 2 0 370.461 0.535 20 0 FCADRP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)[NH+](C)C ZINC001702423819 1285667855 /nfs/dbraw/zinc/66/78/55/1285667855.db2.gz WYAIXPNGQLFSQO-OWCLPIDISA-N 2 0 350.507 0.728 20 0 FCADRP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592863912 1285767414 /nfs/dbraw/zinc/76/74/14/1285767414.db2.gz GDVVAZJMLKAXQD-ONEGZZNKSA-N 2 0 355.446 0.725 20 0 FCADRP 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 ZINC001702667807 1285779333 /nfs/dbraw/zinc/77/93/33/1285779333.db2.gz OXFPQALKRNEREU-IKGGRYGDSA-N 2 0 352.523 0.974 20 0 FCADRP O=C(NCC1C[NH2+]C1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001593048700 1285941935 /nfs/dbraw/zinc/94/19/35/1285941935.db2.gz QJQXZRYEMCMKEC-UHFFFAOYSA-N 2 0 370.461 0.350 20 0 FCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001609284040 1289045995 /nfs/dbraw/zinc/04/59/95/1289045995.db2.gz ZQLRKRUKVVLDGS-AEFFLSMTSA-N 2 0 371.489 0.658 20 0 FCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001609284043 1289047770 /nfs/dbraw/zinc/04/77/70/1289047770.db2.gz ZQLRKRUKVVLDGS-WMZOPIPTSA-N 2 0 371.489 0.658 20 0 FCADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284584 1289048467 /nfs/dbraw/zinc/04/84/67/1289048467.db2.gz UXILANTZKMGYKJ-ZBFHGGJFSA-N 2 0 360.462 0.928 20 0 FCADRP O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001593512108 1286189738 /nfs/dbraw/zinc/18/97/38/1286189738.db2.gz QXHRSEUKCUYATC-AWEZNQCLSA-N 2 0 358.446 0.682 20 0 FCADRP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC001704887643 1286315669 /nfs/dbraw/zinc/31/56/69/1286315669.db2.gz VBRWAUDXLDBSLU-IAGOWNOFSA-N 2 0 352.523 0.975 20 0 FCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001707024584 1286433682 /nfs/dbraw/zinc/43/36/82/1286433682.db2.gz QQXNYDXDAFJXFX-VNHYZAJKSA-N 2 0 367.494 0.141 20 0 FCADRP Cc1nsc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1-c1nn[nH]n1 ZINC001606149611 1288187167 /nfs/dbraw/zinc/18/71/67/1288187167.db2.gz WTLFEIAWFWYKOT-UHFFFAOYSA-N 2 0 367.483 0.589 20 0 FCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001725421794 1288466953 /nfs/dbraw/zinc/46/69/53/1288466953.db2.gz JWYLKSDTFWOHCR-UKRRQHHQSA-N 2 0 363.462 0.876 20 0 FCADRP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001606780929 1288511713 /nfs/dbraw/zinc/51/17/13/1288511713.db2.gz RCWNTSOVBOPGDB-IUODEOHRSA-N 2 0 356.434 0.229 20 0 FCADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001607054388 1288625888 /nfs/dbraw/zinc/62/58/88/1288625888.db2.gz ARWAGWCWUYBQIZ-SOUVJXGZSA-N 2 0 355.402 0.234 20 0 FCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609228121 1289000548 /nfs/dbraw/zinc/00/05/48/1289000548.db2.gz BFALCDIQNISVFG-QAPCUYQASA-N 2 0 373.505 0.763 20 0 FCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609228311 1289000757 /nfs/dbraw/zinc/00/07/57/1289000757.db2.gz LWRPEIZALJIMOG-KRWDZBQOSA-N 2 0 373.505 0.906 20 0 FCADRP c1cc(N2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)ccc1-c1nn[nH]n1 ZINC001609614416 1289264125 /nfs/dbraw/zinc/26/41/25/1289264125.db2.gz PFHLCBYYYVBIIK-QGZVFWFLSA-N 2 0 357.462 0.804 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+]CCOC)cc(=O)[nH]2)CC[N@@H+]1C ZINC001691907581 1289339022 /nfs/dbraw/zinc/33/90/22/1289339022.db2.gz OXZVTAHOGGWREK-UONOGXRCSA-N 2 0 351.451 0.265 20 0 FCADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC001691948128 1289348456 /nfs/dbraw/zinc/34/84/56/1289348456.db2.gz PXCMNGUWHLPVJH-SOUVJXGZSA-N 2 0 363.462 0.748 20 0 FCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001692080602 1289386377 /nfs/dbraw/zinc/38/63/77/1289386377.db2.gz JIVSOYWFFYRWKU-MOPGFXCFSA-N 2 0 367.534 0.896 20 0 FCADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001692084082 1289390905 /nfs/dbraw/zinc/39/09/05/1289390905.db2.gz TZICKYPIDURTPE-CABCVRRESA-N 2 0 362.540 0.046 20 0 FCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NCC ZINC001692096164 1289398675 /nfs/dbraw/zinc/39/86/75/1289398675.db2.gz ACVSHCHWEXDJKR-CABCVRRESA-N 2 0 369.510 0.391 20 0 FCADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001692391101 1289457061 /nfs/dbraw/zinc/45/70/61/1289457061.db2.gz RAYXUHOWOBHEEF-ZACQAIPSSA-N 2 0 365.522 0.801 20 0 FCADRP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699387219 1289552778 /nfs/dbraw/zinc/55/27/78/1289552778.db2.gz OLGMWJMYMWVILE-NXHRZFHOSA-N 2 0 358.486 0.658 20 0 FCADRP CCCNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699578255 1289558778 /nfs/dbraw/zinc/55/87/78/1289558778.db2.gz YXXPNNDUCWXQQS-YUELXQCFSA-N 2 0 367.494 0.047 20 0 FCADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001699652336 1289559354 /nfs/dbraw/zinc/55/93/54/1289559354.db2.gz ZXYRHWRPSREEKX-JHJVBQTASA-N 2 0 367.412 0.505 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001699650965 1289559589 /nfs/dbraw/zinc/55/95/89/1289559589.db2.gz IIRCZRWLSBPBAH-OWCLPIDISA-N 2 0 371.547 0.780 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001699651928 1289559699 /nfs/dbraw/zinc/55/96/99/1289559699.db2.gz USFIHFJRUNHNBE-HRCADAONSA-N 2 0 366.506 0.202 20 0 FCADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699750746 1289565063 /nfs/dbraw/zinc/56/50/63/1289565063.db2.gz GGAFGLCZGVSKRX-HYVNUMGLSA-N 2 0 354.495 0.060 20 0 FCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001738251069 1289648264 /nfs/dbraw/zinc/64/82/64/1289648264.db2.gz FCGXCXFPEUHDHR-ARFHVFGLSA-N 2 0 350.507 0.824 20 0 FCADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001753130436 1290622076 /nfs/dbraw/zinc/62/20/76/1290622076.db2.gz WKGPSUNDGVMUDI-QLFBSQMISA-N 2 0 367.494 0.001 20 0 FCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001653845141 1291372346 /nfs/dbraw/zinc/37/23/46/1291372346.db2.gz JHVYRNLRLQLEAM-SUMDDJOVSA-N 2 0 361.486 0.441 20 0 FCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311854 1291406099 /nfs/dbraw/zinc/40/60/99/1291406099.db2.gz BFFKDRIUUKOIST-ZWKOTPCHSA-N 2 0 373.501 0.431 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001656134500 1291498419 /nfs/dbraw/zinc/49/84/19/1291498419.db2.gz COOCIKCFBWMXQG-LVQVYYBASA-N 2 0 352.523 0.973 20 0 FCADRP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N1CC[NH+](C)CC1 ZINC001661353991 1291689725 /nfs/dbraw/zinc/68/97/25/1291689725.db2.gz KMWGHROIGPKYGG-GFCCVEGCSA-N 2 0 360.911 0.713 20 0 FCADRP CN(CC[N@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001667627400 1291941994 /nfs/dbraw/zinc/94/19/94/1291941994.db2.gz RWOOVUDIUZFXLM-BZUAXINKSA-N 2 0 361.490 0.830 20 0 FCADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435682 1291965171 /nfs/dbraw/zinc/96/51/71/1291965171.db2.gz OOWMWZJFOAJDDR-RRFJBIMHSA-N 2 0 369.510 0.387 20 0 FCADRP CCN(CC[NH2+][C@@H](C)C(=O)Nc1ncccn1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435616 1291965260 /nfs/dbraw/zinc/96/52/60/1291965260.db2.gz MFTKZFWHPZBWDY-RRFJBIMHSA-N 2 0 362.478 0.582 20 0 FCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001689022049 1294572343 /nfs/dbraw/zinc/57/23/43/1294572343.db2.gz QZLKUCWCCPVKQA-JKSUJKDBSA-N 2 0 354.495 0.060 20 0 FCADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001689076216 1294597426 /nfs/dbraw/zinc/59/74/26/1294597426.db2.gz SBFQVKHPTAEBTE-NUEKZKHPSA-N 2 0 366.510 0.967 20 0 FCADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001689098657 1294617863 /nfs/dbraw/zinc/61/78/63/1294617863.db2.gz VWGQXGGUQPEMNY-RDBSUJKOSA-N 2 0 367.494 0.128 20 0 FCADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCC[NH2+]Cc1nnnn1C ZINC001689134703 1294623552 /nfs/dbraw/zinc/62/35/52/1294623552.db2.gz FYTGEMRIFRYGSK-HZPDHXFCSA-N 2 0 363.510 0.803 20 0 FCADRP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC001689349629 1294766375 /nfs/dbraw/zinc/76/63/75/1294766375.db2.gz LGPYLISBTJGLCG-PQUMWKHMSA-N 2 0 350.507 0.846 20 0 FCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001690276919 1294863417 /nfs/dbraw/zinc/86/34/17/1294863417.db2.gz UXEKCFPCOJFDNS-ZQDZILKHSA-N 2 0 360.462 0.382 20 0 FCADRP c1ncc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)cn1 ZINC001164741516 720609563 /nfs/dbraw/zinc/60/95/63/720609563.db2.gz LIMZNRLFWRFZFL-HUUCEWRRSA-N 2 0 367.457 0.297 20 0 FCADRP c1ncc(O[C@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164742294 720643050 /nfs/dbraw/zinc/64/30/50/720643050.db2.gz MOVQJLKBECFHLX-CABCVRRESA-N 2 0 353.430 0.254 20 0 FCADRP